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@H]([NH2+]CC1CC[NH+](C2CC2)CC1)c1ccc2c(c1)OCCO2 ZINC000278393279 214137675 /nfs/dbraw/zinc/13/76/75/214137675.db2.gz GALZWTLNRYOKRH-AWEZNQCLSA-N 2 0 316.445 2.983 20 0 DFADRP C[NH+](C)Cc1cccc(NC(=O)NCC[C@@H]2CCC[N@H+](C)C2)c1 ZINC000459266356 299070089 /nfs/dbraw/zinc/07/00/89/299070089.db2.gz POIWDOKIDCPWNM-HNNXBMFYSA-N 2 0 318.465 2.602 20 0 DFADRP C[NH+](C)CCc1ccc(NC(=O)C[C@@H]2CCCC[C@H]2[NH3+])cc1 ZINC000296089068 282114782 /nfs/dbraw/zinc/11/47/82/282114782.db2.gz RCJKJXCFXOHEHG-DOTOQJQBSA-N 2 0 303.450 2.637 20 0 DFADRP COc1cccc2c1CC[C@H]2[NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1 ZINC000278526630 214213013 /nfs/dbraw/zinc/21/30/13/214213013.db2.gz NEJSMZKBLKXMGE-MAUKXSAKSA-N 2 0 318.461 2.773 20 0 DFADRP c1c[nH]c([C@H]([NH2+]CC2CC[NH+](C3CC3)CC2)c2ccccc2)n1 ZINC000278539135 214222618 /nfs/dbraw/zinc/22/26/18/214222618.db2.gz UVESVPJRKNLMIX-GOSISDBHSA-N 2 0 310.445 2.963 20 0 DFADRP CC[NH+](CC)CCN(Cc1cccs1)C(=O)[C@@H]1CC[C@H]([NH3+])C1 ZINC000163801483 197649825 /nfs/dbraw/zinc/64/98/25/197649825.db2.gz LNKPSEXILWPXKW-CABCVRRESA-N 2 0 323.506 2.546 20 0 DFADRP CC[NH+](CC)CC1CC[NH+](Cc2cnc(C3CC3)nc2)CC1 ZINC000459292327 299077131 /nfs/dbraw/zinc/07/71/31/299077131.db2.gz DGIYLRCNLORHNK-UHFFFAOYSA-N 2 0 302.466 2.908 20 0 DFADRP C[C@H]([NH2+]C[C@@H]1CCC[N@H+](Cc2ccccc2)C1)c1cnn(C)c1 ZINC000309696088 231102752 /nfs/dbraw/zinc/10/27/52/231102752.db2.gz DZORIRUKZMBUEA-WMZOPIPTSA-N 2 0 312.461 2.983 20 0 DFADRP C[C@@H]([NH3+])[C@H]1CCC[N@H+](CCCc2nc(-c3cccs3)no2)C1 ZINC000315340157 231141037 /nfs/dbraw/zinc/14/10/37/231141037.db2.gz FQDLBMXAYHBWNU-OLZOCXBDSA-N 2 0 320.462 2.790 20 0 DFADRP CC[C@@H]1CCCCN1C(=O)C[N@@H+]1CCC[C@H](n2ccnc2C)C1 ZINC000591905792 398348114 /nfs/dbraw/zinc/34/81/14/398348114.db2.gz KKJIHAPIHMBZLZ-SJORKVTESA-N 2 0 318.465 2.620 20 0 DFADRP CC[C@H]([NH3+])C(=O)Nc1ccc2c(ccn2CC[NH+](CC)CC)c1 ZINC000236967699 398365637 /nfs/dbraw/zinc/36/56/37/398365637.db2.gz ZGSWQNIIQQGXBT-INIZCTEOSA-N 2 0 316.449 2.659 20 0 DFADRP C[C@@H](CNC(=O)CC[C@@H]([NH3+])c1ccccc1)C[NH+]1CCCCC1 ZINC000237538404 398371908 /nfs/dbraw/zinc/37/19/08/398371908.db2.gz SWUJEHHAVSHYPB-FUHWJXTLSA-N 2 0 317.477 2.705 20 0 DFADRP C[C@H]1CCCC[C@H]1C[NH2+]C[C@@H](O)CN1CCc2ccccc2C1 ZINC000237553969 398371211 /nfs/dbraw/zinc/37/12/11/398371211.db2.gz UYYOZKYKICTPEN-XKGZKEIXSA-N 2 0 316.489 2.822 20 0 DFADRP C[C@@H](CNC(=O)CC[C@H]([NH3+])c1ccccc1)C[NH+]1CCCCC1 ZINC000237539286 398371358 /nfs/dbraw/zinc/37/13/58/398371358.db2.gz SWUJEHHAVSHYPB-WMZOPIPTSA-N 2 0 317.477 2.705 20 0 DFADRP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@@H+]2CCCCC(F)(F)F ZINC000378244674 282210610 /nfs/dbraw/zinc/21/06/10/282210610.db2.gz QNYUTQUZOBHJRL-MGPQQGTHSA-N 2 0 308.388 2.903 20 0 DFADRP c1nc(C2CC2)ncc1CN1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000459350237 299086212 /nfs/dbraw/zinc/08/62/12/299086212.db2.gz SRBJKJWCWMAQEF-QGZVFWFLSA-N 2 0 300.450 2.804 20 0 DFADRP C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC1CC[NH+](C2CC2)CC1 ZINC000088671273 185262042 /nfs/dbraw/zinc/26/20/42/185262042.db2.gz COMDGJBEGOKPLN-JXFKEZNVSA-N 2 0 313.489 2.723 20 0 DFADRP CCO[C@@H]1C[C@H]([NH2+]C[C@H](C(C)C)N2CCCC2)[C@@H]1SC ZINC000459359528 299087704 /nfs/dbraw/zinc/08/77/04/299087704.db2.gz CEKLXXRRXASWOE-JJXSEGSLSA-N 2 0 300.512 2.605 20 0 DFADRP CCCC[C@@H](C)[NH2+]Cc1ccc(C(=O)NCC[NH+](C)C)cc1 ZINC000090038732 185279191 /nfs/dbraw/zinc/27/91/91/185279191.db2.gz RKXOLKMVUBTHFA-OAHLLOKOSA-N 2 0 305.466 2.646 20 0 DFADRP CC(C)C[N@@H+]1CCC[C@@H](C[NH2+][C@@H]2CCCc3c2cnn3C)C1 ZINC000090585246 185305032 /nfs/dbraw/zinc/30/50/32/185305032.db2.gz DGCWDIYOAZSEMM-DOTOQJQBSA-N 2 0 304.482 2.755 20 0 DFADRP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@@H+]2CC1CCC(F)(F)CC1 ZINC000459374804 299090346 /nfs/dbraw/zinc/09/03/46/299090346.db2.gz YHLRFVXPAHAKET-BZUAXINKSA-N 2 0 316.436 2.995 20 0 DFADRP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@@H+]2CC1CCC(F)(F)CC1 ZINC000459374807 299090976 /nfs/dbraw/zinc/09/09/76/299090976.db2.gz YHLRFVXPAHAKET-PMPSAXMXSA-N 2 0 316.436 2.995 20 0 DFADRP COc1ccc(C[NH+]2CCC(CC[NH+](C)C)CC2)c(OC)c1 ZINC000092380884 185314949 /nfs/dbraw/zinc/31/49/49/185314949.db2.gz WPMZMFXTQSICPT-UHFFFAOYSA-N 2 0 306.450 2.868 20 0 DFADRP C[NH+](C)[C@H](CNC(=O)C[NH+]1CCC(C)(C)CC1)c1ccccc1 ZINC000354803830 282238134 /nfs/dbraw/zinc/23/81/34/282238134.db2.gz FUZYXHYUDSGCKF-QGZVFWFLSA-N 2 0 317.477 2.528 20 0 DFADRP CCO[C@@H]1C[C@H]([NH2+]C[C@H](C)N2CCC(C)CC2)[C@H]1SC ZINC000459395744 299095518 /nfs/dbraw/zinc/09/55/18/299095518.db2.gz ZANYTEPAZZWXRF-CAOSSQGBSA-N 2 0 300.512 2.605 20 0 DFADRP c1cc(N2CCC([NH2+][C@@H]3CCN(C4CCCC4)C3)CC2)cc[nH+]1 ZINC000459412814 299100159 /nfs/dbraw/zinc/10/01/59/299100159.db2.gz SESDMXJEWOZGTE-QGZVFWFLSA-N 3 0 314.477 2.657 20 0 DFADRP C[NH+]1CCN(c2ncccc2C[NH2+]C2CCCCCC2)CC1 ZINC000066877029 398404424 /nfs/dbraw/zinc/40/44/24/398404424.db2.gz VAFBQQXGJMQRRT-UHFFFAOYSA-N 2 0 302.466 2.646 20 0 DFADRP CCO[C@@H]1C[C@H]([NH2+]CCN2[C@H](C)CCC[C@@H]2C)[C@H]1SC ZINC000459425446 299103102 /nfs/dbraw/zinc/10/31/02/299103102.db2.gz KHQSOWKWTQGZJB-ZVDSWSACSA-N 2 0 300.512 2.748 20 0 DFADRP C[C@H](CC(=O)NC[C@@H](C1CCCCC1)[NH+](C)C)[C@H]1CCC[NH2+]C1 ZINC000262664070 398433467 /nfs/dbraw/zinc/43/34/67/398433467.db2.gz IAWWQRALIBPRJR-NJAFHUGGSA-N 2 0 323.525 2.639 20 0 DFADRP CCOC(=O)C1([N@H+](C)CCCC2CC[NH2+]CC2)CCCCC1 ZINC000592493289 398433682 /nfs/dbraw/zinc/43/36/82/398433682.db2.gz FEGSBFRXMFUKID-UHFFFAOYSA-N 2 0 310.482 2.964 20 0 DFADRP C[N@H+](C[C@@H]1CC[NH+](Cc2ccccc2)C1)CC1(O)CCCC1 ZINC000309626917 529955402 /nfs/dbraw/zinc/95/54/02/529955402.db2.gz NPWUGQWHSYPYOO-SFHVURJKSA-N 2 0 302.462 2.745 20 0 DFADRP c1cc(N2CCC([NH2+]Cc3ccc4c(c3)COC4)CC2)cc[nH+]1 ZINC000459439598 299107460 /nfs/dbraw/zinc/10/74/60/299107460.db2.gz VYMRTODZEVUCDQ-UHFFFAOYSA-N 2 0 309.413 2.870 20 0 DFADRP C[NH+](C)Cc1ccc(C[NH2+]Cc2cnc(C3CC3)nc2)cc1F ZINC000459456854 299111314 /nfs/dbraw/zinc/11/13/14/299111314.db2.gz FGGAWTRCIHCASL-UHFFFAOYSA-N 2 0 314.408 2.845 20 0 DFADRP O[C@@H]1CCC[C@@H]1[NH+]1CCC([NH2+]C[C@@H]2C[C@H]2c2ccccc2)CC1 ZINC000459456267 299111543 /nfs/dbraw/zinc/11/15/43/299111543.db2.gz ZKSZVQVETJNPBW-FRYIKTPZSA-N 2 0 314.473 2.758 20 0 DFADRP C[N@@H+]1CCC[C@]2(CC[NH+](CCC(=O)Nc3ccccc3F)C2)C1 ZINC000292855374 530065262 /nfs/dbraw/zinc/06/52/62/530065262.db2.gz CBVITLIAOYSYOC-SFHVURJKSA-N 2 0 319.424 2.572 20 0 DFADRP C[N@@H+]1CCCC[C@H]1CCN1CC[NH+](Cc2ccccc2)CC1 ZINC000309911010 530052865 /nfs/dbraw/zinc/05/28/65/530052865.db2.gz RZCOZPBKAMFTIJ-IBGZPJMESA-N 2 0 301.478 2.679 20 0 DFADRP COC(=O)[C@@H](CC(C)C)[N@@H+]1CC[C@@H](CNc2cc(C)cc[nH+]2)C1 ZINC000586763962 398455124 /nfs/dbraw/zinc/45/51/24/398455124.db2.gz JLVMUIWZUCGRTF-JKSUJKDBSA-N 2 0 319.449 2.712 20 0 DFADRP CC[NH+]1CCN(CCC[NH2+]Cc2ccc(C3CC3)cc2)CC1 ZINC000459463366 299113143 /nfs/dbraw/zinc/11/31/43/299113143.db2.gz LFKGSCBLZPRBJF-UHFFFAOYSA-N 2 0 301.478 2.681 20 0 DFADRP CCC1(CC)[C@@H]([NH2+]CC2(SC)CC[NH+](C)CC2)C[C@@H]1OC ZINC000353609838 282390496 /nfs/dbraw/zinc/39/04/96/282390496.db2.gz KRODFLVRIWIVND-GJZGRUSLSA-N 2 0 314.539 2.997 20 0 DFADRP Cc1noc(C2CCC([NH2+]CC3CC[NH+](C4CC4)CC3)CC2)n1 ZINC000366499145 282393066 /nfs/dbraw/zinc/39/30/66/282393066.db2.gz DHMUVTZSPVYFJF-UHFFFAOYSA-N 2 0 318.465 2.868 20 0 DFADRP C[C@H]([NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccc(-n2ccnn2)cc1 ZINC000090879260 398494967 /nfs/dbraw/zinc/49/49/67/398494967.db2.gz TVEHACTXJUJLBT-QILLFSRXSA-N 2 0 311.433 2.545 20 0 DFADRP CC[N@@H+]1CCC[C@@H]1CN[C@@H](C)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000272698700 210104310 /nfs/dbraw/zinc/10/43/10/210104310.db2.gz XYAIWDVVNNOZCC-DFQSSKMNSA-N 2 0 315.505 2.971 20 0 DFADRP CC[N@@H+]1CCC[C@@H]1CN[C@@H](C)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000272698706 210103986 /nfs/dbraw/zinc/10/39/86/210103986.db2.gz XYAIWDVVNNOZCC-YSIASYRMSA-N 2 0 315.505 2.971 20 0 DFADRP C[C@H]1C[C@H](C[NH2+]Cc2ccc(Br)s2)CC[NH2+]1 ZINC000235669416 201918979 /nfs/dbraw/zinc/91/89/79/201918979.db2.gz LNBZSMGJYGDRSQ-VHSXEESVSA-N 2 0 303.269 2.988 20 0 DFADRP C(NC1CC[NH+](C2CC2)CC1)[C@H]1CCC[N@@H+]1C1CCCCC1 ZINC000459542945 299130201 /nfs/dbraw/zinc/13/02/01/299130201.db2.gz OUWFFYAFIHZMNT-LJQANCHMSA-N 2 0 305.510 3.000 20 0 DFADRP C[C@H](NC[C@H]1CCC[N@@H+]1C)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000272674587 210079582 /nfs/dbraw/zinc/07/95/82/210079582.db2.gz QOFXJAMPHBLNSU-YTQUADARSA-N 2 0 301.478 2.581 20 0 DFADRP CC(C)(C[NH2+]C1CCN(c2cc[nH+]cc2)CC1)C1(O)CCCC1 ZINC000459560081 299134291 /nfs/dbraw/zinc/13/42/91/299134291.db2.gz KLQBFTOQXMBAEU-UHFFFAOYSA-N 2 0 317.477 2.971 20 0 DFADRP CC(C)[C@@H](C[NH2+][C@H](c1cccnc1)C(C)C)N1CC[NH+](C)CC1 ZINC000091283358 398525117 /nfs/dbraw/zinc/52/51/17/398525117.db2.gz RFLKPKBLVGXNSU-MOPGFXCFSA-N 2 0 318.509 2.640 20 0 DFADRP CC(C)[NH+]1CCC(C(=O)NC[C@H](c2cccs2)[NH+](C)C)CC1 ZINC000073399996 282522949 /nfs/dbraw/zinc/52/29/49/282522949.db2.gz CLHDMVUNTZUBDR-OAHLLOKOSA-N 2 0 323.506 2.587 20 0 DFADRP CC[C@H]([NH2+]Cc1ccc(C(=O)NCC[NH+](C)C)cc1)[C@@H]1C[C@H]1C ZINC000414107835 295768274 /nfs/dbraw/zinc/76/82/74/295768274.db2.gz ZGLNBHWCDOKARE-OLMNPRSZSA-N 2 0 317.477 2.502 20 0 DFADRP C[C@H]([NH2+]Cc1ccccc1C[NH+]1CCC(O)CC1)[C@H]1C[C@H]1C ZINC000414116832 295769044 /nfs/dbraw/zinc/76/90/44/295769044.db2.gz RMCWCIFIWJTVMH-VCBZYWHSSA-N 2 0 302.462 2.777 20 0 DFADRP CC[NH+]1CCC(CC[NH2+]Cc2cc(C)c(C(=O)OC)o2)CC1 ZINC000597061573 398558866 /nfs/dbraw/zinc/55/88/66/398558866.db2.gz PITBGNFAVMLCDE-UHFFFAOYSA-N 2 0 308.422 2.586 20 0 DFADRP C[C@@H](c1cccc2ccccc21)[N@@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000323835439 398561502 /nfs/dbraw/zinc/56/15/02/398561502.db2.gz ROCRYRSEYDXDMQ-WMZOPIPTSA-N 2 0 309.457 2.880 20 0 DFADRP [NH3+]Cc1ccc(C(=O)NC[C@H](c2ccccc2)[NH+]2CCCC2)cc1 ZINC000071700410 191009289 /nfs/dbraw/zinc/00/92/89/191009289.db2.gz DRQYEVLLWHPNEY-LJQANCHMSA-N 2 0 323.440 2.712 20 0 DFADRP COc1ccc(OCCC[NH2+][C@@H]2C[C@@H](C)[N@H+](C)C[C@H]2C)cc1 ZINC000152493497 186078589 /nfs/dbraw/zinc/07/85/89/186078589.db2.gz AEWCKCUZRREUIM-IIDMSEBBSA-N 2 0 306.450 2.782 20 0 DFADRP CC[C@@H]([NH2+]Cc1ccc(OCC[NH+](C)C)cc1)C1CCOCC1 ZINC000072743770 398634800 /nfs/dbraw/zinc/63/48/00/398634800.db2.gz XSYRLQYJOQGROH-LJQANCHMSA-N 2 0 320.477 2.922 20 0 DFADRP CC[C@H](C)[C@@H](O)C[NH2+][C@@H](C)c1cccc(OCC[NH+](C)C)c1 ZINC000163937142 186143143 /nfs/dbraw/zinc/14/31/43/186143143.db2.gz DKPBXZSLYSOBQP-MPGHIAIKSA-N 2 0 308.466 2.685 20 0 DFADRP CC[NH+]1CCN(CCC[NH2+][C@@H](C)c2ccc(F)c(F)c2)CC1 ZINC000173319215 186176238 /nfs/dbraw/zinc/17/62/38/186176238.db2.gz PKKSYEURFWHIOV-AWEZNQCLSA-N 2 0 311.420 2.643 20 0 DFADRP CC[N@H+](Cc1ccc(C(=O)N[C@@H](C)C[NH+](C)C)cc1)C(C)C ZINC000287184592 219367031 /nfs/dbraw/zinc/36/70/31/219367031.db2.gz LTKCPEBNIVVNKZ-HNNXBMFYSA-N 2 0 305.466 2.597 20 0 DFADRP COCc1ccc(C[NH+]2CCC(OCC[NH+]3CCCC3)CC2)o1 ZINC000093734918 398643186 /nfs/dbraw/zinc/64/31/86/398643186.db2.gz TVMKKUFPRKJOHP-UHFFFAOYSA-N 2 0 322.449 2.503 20 0 DFADRP COc1ccsc1C[NH+]1CCC(OCC[NH+]2CCCC2)CC1 ZINC000093734966 398643626 /nfs/dbraw/zinc/64/36/26/398643626.db2.gz LCYRRGIYRRHPPB-UHFFFAOYSA-N 2 0 324.490 2.834 20 0 DFADRP CCOC(=O)CC[NH2+]C1[C@@H](C)C[NH+](Cc2ccccc2)C[C@@H]1C ZINC000189952040 186254087 /nfs/dbraw/zinc/25/40/87/186254087.db2.gz PEEQYMVNRAAWJC-HOTGVXAUSA-N 2 0 318.461 2.686 20 0 DFADRP C[C@@H]1CCC[N@H+](Cc2ccc(NC(=O)[C@@H]3CCCC[NH2+]3)cc2)C1 ZINC000237478840 186295852 /nfs/dbraw/zinc/29/58/52/186295852.db2.gz BBYCLUNQXBPGKC-QAPCUYQASA-N 2 0 315.461 2.999 20 0 DFADRP C[C@@H]([NH2+]CC(C)(C)C[NH+](C)C)c1cccc(N2CCOCC2)c1 ZINC000268746202 186376557 /nfs/dbraw/zinc/37/65/57/186376557.db2.gz RZNPGCZHQFPWSC-MRXNPFEDSA-N 2 0 319.493 2.762 20 0 DFADRP CC(C)[NH+]1CCN([C@H]2CC[N@H+](C[C@@H]3CCC(F)(F)C3)C2)CC1 ZINC000590698960 398654218 /nfs/dbraw/zinc/65/42/18/398654218.db2.gz QXFYYICOAWXTDL-CVEARBPZSA-N 2 0 315.452 2.522 20 0 DFADRP CC(C)[NH+]1CCN([C@H]2CC[N@H+](C[C@H]3CCC(F)(F)C3)C2)CC1 ZINC000590698961 398654328 /nfs/dbraw/zinc/65/43/28/398654328.db2.gz QXFYYICOAWXTDL-HOTGVXAUSA-N 2 0 315.452 2.522 20 0 DFADRP COc1cccc2c1CC[C@@H]([NH2+]CC[C@@H]1CCC[N@H+](C)C1)C2 ZINC000459733025 299175902 /nfs/dbraw/zinc/17/59/02/299175902.db2.gz GFEIBQOZKPDAGD-DOTOQJQBSA-N 2 0 302.462 2.874 20 0 DFADRP CCc1ccccc1NC(=O)C[C@@H](C)[NH2+]CC[C@@H]1CC[NH2+]C1 ZINC000414825003 295822475 /nfs/dbraw/zinc/82/24/75/295822475.db2.gz BPBRQQKZWZAJHO-CABCVRRESA-N 2 0 303.450 2.555 20 0 DFADRP COCC[C@@H](Cc1cccc(F)c1)[NH2+]CC[C@@H]1CCC[NH2+]C1 ZINC000414831769 295823559 /nfs/dbraw/zinc/82/35/59/295823559.db2.gz DPZVTJHLTYKHGS-YJBOKZPZSA-N 2 0 308.441 2.753 20 0 DFADRP Cc1ccc(NC(=O)C[C@@H](C)[NH2+]CC[C@H]2CC[NH2+]C2)cc1Cl ZINC000414833250 295823973 /nfs/dbraw/zinc/82/39/73/295823973.db2.gz POGMMKWTOKJAJK-ZIAGYGMSSA-N 2 0 323.868 2.955 20 0 DFADRP c1nc(-c2ccncc2)sc1C[NH2+]CC[C@H]1CCC[NH2+]C1 ZINC000414850280 295825812 /nfs/dbraw/zinc/82/58/12/295825812.db2.gz MKLTYMKRSZSBMP-CYBMUJFWSA-N 2 0 302.447 2.684 20 0 DFADRP Cc1ccc(C[NH2+]CC[C@@H]2CCC[NH2+]C2)c(-c2cnn(C)c2)c1 ZINC000414847190 295825512 /nfs/dbraw/zinc/82/55/12/295825512.db2.gz VMONWHYWWZJNPM-INIZCTEOSA-N 2 0 312.461 2.875 20 0 DFADRP COCCCOc1cccc(C[NH2+]CC[C@H]2CCC[N@H+](C)C2)c1 ZINC000459746238 299180836 /nfs/dbraw/zinc/18/08/36/299180836.db2.gz ZDOHCBOPSKHGAV-QGZVFWFLSA-N 2 0 320.477 2.923 20 0 DFADRP CC1(C[NH2+]Cc2csc(-c3ccccn3)n2)CC[NH2+]CC1 ZINC000414901370 295832292 /nfs/dbraw/zinc/83/22/92/295832292.db2.gz JPZSEYFHHUXSBW-UHFFFAOYSA-N 2 0 302.447 2.684 20 0 DFADRP COc1cc(C[NH2+]CC[C@H]2CCC[NH2+]2)ccc1OC(F)F ZINC000414904968 295833016 /nfs/dbraw/zinc/83/30/16/295833016.db2.gz KUGRQHVXIDWARD-GFCCVEGCSA-N 2 0 300.349 2.528 20 0 DFADRP COc1ccc(C[NH2+]CC[C@H]2CCC[NH2+]2)cc1OCC(C)C ZINC000414916214 295834471 /nfs/dbraw/zinc/83/44/71/295834471.db2.gz PBKULSANGGEQAJ-MRXNPFEDSA-N 2 0 306.450 2.962 20 0 DFADRP CC1(C)CCC[NH2+][C@@H]1CN[C@@H]1CC[NH2+][C@@H](c2ccccc2)C1 ZINC000414923017 295835432 /nfs/dbraw/zinc/83/54/32/295835432.db2.gz DOFDIXKJNZKEQN-KZNAEPCWSA-N 2 0 301.478 2.848 20 0 DFADRP C[C@H]1C[NH2+]CC[C@H]1[NH2+]Cc1cccc(OCC(F)(F)F)c1 ZINC000414957804 295840479 /nfs/dbraw/zinc/84/04/79/295840479.db2.gz OSXXZALRCWTJKJ-SMDDNHRTSA-N 2 0 302.340 2.715 20 0 DFADRP COCC1(C[NH2+][C@H](C)CCc2ccc(F)cc2)CC[NH2+]CC1 ZINC000414967008 295842083 /nfs/dbraw/zinc/84/20/83/295842083.db2.gz CMTKPTNZUHVVTI-OAHLLOKOSA-N 2 0 308.441 2.753 20 0 DFADRP O=C(C[NH+]1CCC(CCC[NH+]2CCCC2)CC1)N1CCCCC1 ZINC000121816061 282817889 /nfs/dbraw/zinc/81/78/89/282817889.db2.gz GOMOGHSRGNGRMR-UHFFFAOYSA-N 2 0 321.509 2.587 20 0 DFADRP COCC[C@H](Cc1cccc(F)c1)[NH2+]CCC[C@H]1CCC[NH2+]1 ZINC000414981447 295843759 /nfs/dbraw/zinc/84/37/59/295843759.db2.gz XOCFNOODSQXURB-QZTJIDSGSA-N 2 0 308.441 2.895 20 0 DFADRP COCC1(C[NH2+]Cc2nc3ccc(F)cc3s2)CC[NH2+]CC1 ZINC000414982524 295843909 /nfs/dbraw/zinc/84/39/09/295843909.db2.gz YHCLCKIINCCCDX-UHFFFAOYSA-N 2 0 323.437 2.541 20 0 DFADRP COCC1(C[NH2+][C@@H]2C[C@H](c3ccccc3)[C@H]2C)CC[NH2+]CC1 ZINC000414976158 295843186 /nfs/dbraw/zinc/84/31/86/295843186.db2.gz OWSXAEYKGMNDNA-BPQIPLTHSA-N 2 0 302.462 2.784 20 0 DFADRP CC(C)N(C(=O)C[NH+]1CCC(C[N@H+](C)C(C)C)CC1)C(C)C ZINC000590787070 398675386 /nfs/dbraw/zinc/67/53/86/398675386.db2.gz WATUGBBFDIZGER-UHFFFAOYSA-N 2 0 311.514 2.684 20 0 DFADRP C[C@H](C[C@@H]1CCC[NH2+]1)NC[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC000414990572 295844645 /nfs/dbraw/zinc/84/46/45/295844645.db2.gz ABVYCUBPJYYFCU-TWKWOARYSA-N 2 0 319.468 2.639 20 0 DFADRP CCCOc1ccc(C[NH2+][C@@H]2C[C@H]2C2CC[NH2+]CC2)cc1OC ZINC000415002512 295846166 /nfs/dbraw/zinc/84/61/66/295846166.db2.gz DTGWOBQSHOBQBZ-DLBZAZTESA-N 2 0 318.461 2.962 20 0 DFADRP COc1ccc(C[C@@H](C)[NH2+]CC[C@@H]2CCC[N@H+](C)C2)cc1OC ZINC000459784643 299191510 /nfs/dbraw/zinc/19/15/10/299191510.db2.gz ODBBGIIDJQUVCN-CVEARBPZSA-N 2 0 320.477 2.956 20 0 DFADRP COc1ccc(OC(F)F)c(C[NH2+][C@H](C)CCCC[NH3+])c1 ZINC000415007710 295846601 /nfs/dbraw/zinc/84/66/01/295846601.db2.gz CADKNJGZKFIMOR-LLVKDONJSA-N 2 0 302.365 2.904 20 0 DFADRP COc1cc2c(c(C[NH2+]C[C@H]3CC[C@H](C[NH3+])CC3)c1)O[C@@H](C)C2 ZINC000415018003 295847578 /nfs/dbraw/zinc/84/75/78/295847578.db2.gz BARGVTLDRIDEKP-KKUMJFAQSA-N 2 0 318.461 2.873 20 0 DFADRP [NH3+]C[C@H]1CC[C@H](C[NH2+]Cc2cnn(-c3ccc(F)cc3)c2)CC1 ZINC000415019267 295847855 /nfs/dbraw/zinc/84/78/55/295847855.db2.gz DRWLYGOPAMUVCO-SHTZXODSSA-N 2 0 316.424 2.866 20 0 DFADRP COCCOc1ccccc1C[NH2+]C[C@H]1CC[C@H](C[NH3+])CC1 ZINC000415019514 295847904 /nfs/dbraw/zinc/84/79/04/295847904.db2.gz DZTGOUYYGCWTJO-WKILWMFISA-N 2 0 306.450 2.567 20 0 DFADRP CN(C[C@H]1CC[N@H+](C)C1)C(=O)c1ccc(Nc2cc[nH+]cc2)cc1 ZINC000073424010 398680608 /nfs/dbraw/zinc/68/06/08/398680608.db2.gz JCMURDDVUQWOIM-HNNXBMFYSA-N 2 0 324.428 2.849 20 0 DFADRP COc1ccc(NC(=O)C[C@@H](C)[NH2+][C@@H](C)CCCC[NH3+])cc1 ZINC000415014475 295847288 /nfs/dbraw/zinc/84/72/88/295847288.db2.gz MHZRUFSJCMZFBI-UONOGXRCSA-N 2 0 307.438 2.519 20 0 DFADRP COc1ccc(C[C@H](C)C[NH2+][C@@H]2C[C@H]2C2CC[NH2+]CC2)cc1F ZINC000415013095 295847314 /nfs/dbraw/zinc/84/73/14/295847314.db2.gz URRDKBORDSKSOI-QANKJYHBSA-N 2 0 320.452 2.991 20 0 DFADRP COC[C@H](C)C[NH2+][C@H](C)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000123184689 282843429 /nfs/dbraw/zinc/84/34/29/282843429.db2.gz QWQKDDIWYNZLDB-HUUCEWRRSA-N 2 0 323.456 2.511 20 0 DFADRP [NH3+]C[C@@H]1CC[C@H]([NH2+]Cc2csc(COc3ccccc3)n2)C1 ZINC000415036856 295849554 /nfs/dbraw/zinc/84/95/54/295849554.db2.gz LSUZDARCAHROLE-KGLIPLIRSA-N 2 0 317.458 2.939 20 0 DFADRP COc1ccc2c(c1)C[C@H]([NH2+]CC[C@H]1CCC[N@H+](C)C1)CC2 ZINC000459791024 299193788 /nfs/dbraw/zinc/19/37/88/299193788.db2.gz ROWJZDNXQVWOAT-CRAIPNDOSA-N 2 0 302.462 2.874 20 0 DFADRP [NH3+]C[C@H]1CC[C@H]([NH2+]Cc2c[nH]nc2-c2ccc(Cl)cc2)C1 ZINC000415037015 295849796 /nfs/dbraw/zinc/84/97/96/295849796.db2.gz LVLDJXUEPCTLEK-NHYWBVRUSA-N 2 0 304.825 2.947 20 0 DFADRP Cc1nn(-c2ccc(F)cc2)c(C)c1C[NH2+][C@@H]1CC[C@H](C[NH3+])C1 ZINC000415051734 295851528 /nfs/dbraw/zinc/85/15/28/295851528.db2.gz ZOZVJJATUKYUNJ-GOEBONIOSA-N 2 0 316.424 2.845 20 0 DFADRP COC(=O)C1CCC([NH2+][C@@H](CCC[NH3+])c2ccccc2)CC1 ZINC000415050650 295851529 /nfs/dbraw/zinc/85/15/29/295851529.db2.gz IYEIFZLXDPKIPL-JCYILVPMSA-N 2 0 304.434 2.788 20 0 DFADRP C[N@@H+]1CCC[C@H](CC[NH2+]Cc2cnc(C(F)(F)F)s2)C1 ZINC000459794938 299195014 /nfs/dbraw/zinc/19/50/14/299195014.db2.gz VBOAZXLLAAUXRA-SNVBAGLBSA-N 2 0 307.385 2.983 20 0 DFADRP COc1ccc(C(C)(C)C[NH2+]C[C@@H]2CC[NH2+][C@H](C)C2)cc1OC ZINC000415079013 295855287 /nfs/dbraw/zinc/85/52/87/295855287.db2.gz JLCIRIZAWSSQQY-HUUCEWRRSA-N 2 0 320.477 2.959 20 0 DFADRP Fc1ccc(OCC[NH2+][C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)c(F)c1 ZINC000415074879 295854830 /nfs/dbraw/zinc/85/48/30/295854830.db2.gz AYDBPFPXAXMCGG-FVQBIDKESA-N 2 0 310.388 2.854 20 0 DFADRP C[C@H](C[C@H]1CCC[NH2+]1)[NH2+]Cc1ccc(-n2ccnc2)c(F)c1 ZINC000415082734 295855862 /nfs/dbraw/zinc/85/58/62/295855862.db2.gz MIRBLHMXJQXDAF-UKRRQHHQSA-N 2 0 302.397 2.632 20 0 DFADRP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+][C@H]1CCN(c2ccccn2)C1 ZINC000415079987 295855639 /nfs/dbraw/zinc/85/56/39/295855639.db2.gz IOOIEAJJNYNAKZ-ZACQAIPSSA-N 2 0 302.466 2.561 20 0 DFADRP COc1ccc([C@H](CN[C@@H]2CCC[NH2+]C2)[NH+]2CCCCC2)cc1 ZINC000415089002 295856397 /nfs/dbraw/zinc/85/63/97/295856397.db2.gz WBWMRLBQFNAIKG-MJGOQNOKSA-N 2 0 317.477 2.564 20 0 DFADRP C[C@H](C[C@H]1CCC[NH2+]1)[NH2+][C@H](C)c1cccc(N2CCCC2=O)c1 ZINC000415089075 295856435 /nfs/dbraw/zinc/85/64/35/295856435.db2.gz XHIPTYUXAMUSOB-BFYDXBDKSA-N 2 0 315.461 2.995 20 0 DFADRP C[C@H](C[C@@H]1CCC[NH2+]1)[NH2+][C@H](C)c1cccc(N2CCCC2=O)c1 ZINC000415089077 295856592 /nfs/dbraw/zinc/85/65/92/295856592.db2.gz XHIPTYUXAMUSOB-INMHGKMJSA-N 2 0 315.461 2.995 20 0 DFADRP C/C(=C\c1ccccc1)C[NH2+]CCCN1CCC[N@@H+](C)CC1 ZINC000105476358 398693573 /nfs/dbraw/zinc/69/35/73/398693573.db2.gz QOWFLQDZVJTYIH-FBMGVBCBSA-N 2 0 301.478 2.707 20 0 DFADRP C[C@H](CC1CCOCC1)C[NH+]1CCC([C@H]2OCCC[C@H]2[NH3+])CC1 ZINC000415107730 295858958 /nfs/dbraw/zinc/85/89/58/295858958.db2.gz LLZCAMVOZLOXDS-ATZDWAIDSA-N 2 0 324.509 2.658 20 0 DFADRP CC(C)[NH+]1CCC(C(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)CC1 ZINC000073764133 398699591 /nfs/dbraw/zinc/69/95/91/398699591.db2.gz YKOPQYSMTNGDDR-INIZCTEOSA-N 2 0 311.514 2.589 20 0 DFADRP CC[NH+]1CCN(c2ccc(NC3CCC([NH3+])CC3)c(C)c2)CC1 ZINC000415121575 295860766 /nfs/dbraw/zinc/86/07/66/295860766.db2.gz MUIRCZAKZKKLAJ-UHFFFAOYSA-N 2 0 316.493 2.819 20 0 DFADRP CC(C)OC(=O)CC[N@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000174395776 198329867 /nfs/dbraw/zinc/32/98/67/198329867.db2.gz DKJMJPFCMYMLKM-SFHVURJKSA-N 2 0 318.461 2.782 20 0 DFADRP COc1ccc(C)cc1C[NH+]1CCC([C@H]2C[C@@H]([NH3+])CCO2)CC1 ZINC000415129623 295862087 /nfs/dbraw/zinc/86/20/87/295862087.db2.gz VMMHBHQIVCVORP-PKOBYXMFSA-N 2 0 318.461 2.722 20 0 DFADRP CC[NH+](CC)Cc1cccc(NC(=O)C2CC[NH+](C)CC2)c1 ZINC000174586257 198355836 /nfs/dbraw/zinc/35/58/36/198355836.db2.gz XMKKEBBEIQLQIJ-UHFFFAOYSA-N 2 0 303.450 2.809 20 0 DFADRP C[NH+]1CCC(C(=O)Nc2cccc(C[NH+]3CCCCC3)c2)CC1 ZINC000174608189 198358927 /nfs/dbraw/zinc/35/89/27/198358927.db2.gz XIAIONRYAJYAMS-UHFFFAOYSA-N 2 0 315.461 2.953 20 0 DFADRP C[C@H]1CCC[N@H+](Cc2ccc(NC(=O)[C@H]3CC[NH+](C)C3)cc2)C1 ZINC000591096321 398726219 /nfs/dbraw/zinc/72/62/19/398726219.db2.gz CVAASAKSJYSBAU-RDJZCZTQSA-N 2 0 315.461 2.809 20 0 DFADRP C[NH+](C)C1CCN(CC[NH2+][C@@H]2CCC[C@@H](C(F)(F)F)C2)CC1 ZINC000130136997 283040732 /nfs/dbraw/zinc/04/07/32/283040732.db2.gz YFZQQYUBUUGYJI-ZIAGYGMSSA-N 2 0 321.431 2.723 20 0 DFADRP CCC[C@@H](CCc1ccccc1)[NH2+]CC1(O)CC[NH+](C)CC1 ZINC000462121413 299222649 /nfs/dbraw/zinc/22/26/49/299222649.db2.gz ONDLNZUFTQKUQZ-SFHVURJKSA-N 2 0 304.478 2.834 20 0 DFADRP c1cn(-c2ccc(C[NH+]3CCN(c4cc[nH+]cc4)CC3)cc2)cn1 ZINC000112147709 398732163 /nfs/dbraw/zinc/73/21/63/398732163.db2.gz QPVPOJLRQACCNO-UHFFFAOYSA-N 2 0 319.412 2.590 20 0 DFADRP C[NH2+]Cc1ccccc1NC(=O)N[C@@H](C)C[NH+]1CCCCCC1 ZINC000415918125 295901745 /nfs/dbraw/zinc/90/17/45/295901745.db2.gz FEMQTASVHRPIBN-HNNXBMFYSA-N 2 0 318.465 2.792 20 0 DFADRP CC[NH2+]Cc1cccc(NC(=O)N(C)CCC[NH+]2CCCC2)c1 ZINC000415923866 295902518 /nfs/dbraw/zinc/90/25/18/295902518.db2.gz VRTPVXPFHCUNCR-UHFFFAOYSA-N 2 0 318.465 2.746 20 0 DFADRP C[NH2+]Cc1ccc(NC(=O)N[C@@H](C)C[NH+]2CCCCCC2)cc1 ZINC000416005562 295911027 /nfs/dbraw/zinc/91/10/27/295911027.db2.gz IRSXATRGYXFLBE-HNNXBMFYSA-N 2 0 318.465 2.792 20 0 DFADRP COC(=O)CCC[C@@H]1CCC[C@H]([NH2+][C@@H]2CC23CC[NH2+]CC3)C1 ZINC000591581273 398773846 /nfs/dbraw/zinc/77/38/46/398773846.db2.gz PJHFGNIRECWSRO-HRCADAONSA-N 2 0 308.466 2.620 20 0 DFADRP CC[NH+](CC)CCCCNC(=O)[C@H](C)[C@@H]([NH3+])c1ccccc1 ZINC000236845168 202035001 /nfs/dbraw/zinc/03/50/01/202035001.db2.gz HRFXJQUKZVFOQJ-NVXWUHKLSA-N 2 0 305.466 2.561 20 0 DFADRP CC[NH+](CC)[C@H](C(=O)N1CCC[C@@H]([C@@H](C)[NH3+])C1)c1ccccc1 ZINC000236864173 202042493 /nfs/dbraw/zinc/04/24/93/202042493.db2.gz OVTKYSQZWWITEE-NXHRZFHOSA-N 2 0 317.477 2.655 20 0 DFADRP CC[NH+](CC)CCOc1ccc(NC(=O)[C@@H]([NH3+])C(C)(C)C)cc1 ZINC000236871461 202044512 /nfs/dbraw/zinc/04/45/12/202044512.db2.gz STDIEYLCGCFYGA-MRXNPFEDSA-N 2 0 321.465 2.719 20 0 DFADRP CC[C@H](C)[C@H]([NH3+])C(=O)NCc1ccccc1C[N@H+](C)C(C)C ZINC000236888626 202055224 /nfs/dbraw/zinc/05/52/24/202055224.db2.gz KKKDJEPTALZLPI-YOEHRIQHSA-N 2 0 305.466 2.516 20 0 DFADRP CCCc1ccc(C[NH2+]C[C@H](C)CN2CC[NH+](C)CC2)cc1 ZINC000591700534 398781365 /nfs/dbraw/zinc/78/13/65/398781365.db2.gz JPBBTPJCNKACEJ-KRWDZBQOSA-N 2 0 303.494 2.612 20 0 DFADRP CC[NH+](CC)Cc1cccc(CNC(=O)[C@@H]2CCC[C@H]([NH3+])C2)c1 ZINC000236923204 202074071 /nfs/dbraw/zinc/07/40/71/202074071.db2.gz BIMNGWFMKQHSBQ-MSOLQXFVSA-N 2 0 317.477 2.662 20 0 DFADRP CC[N@H+](Cc1ccc(C(=O)N(C)C2CC[NH2+]CC2)cc1)C(C)C ZINC000236992356 202112695 /nfs/dbraw/zinc/11/26/95/202112695.db2.gz OTCUYAVGSBAWLC-UHFFFAOYSA-N 2 0 317.477 2.741 20 0 DFADRP CCc1ccc([C@H](CNC(=O)C(CC)(CC)C[NH3+])[NH+](C)C)cc1 ZINC000236996615 202115430 /nfs/dbraw/zinc/11/54/30/202115430.db2.gz JVAOTDWFGSDKCH-KRWDZBQOSA-N 2 0 319.493 2.733 20 0 DFADRP CC[C@H](C)[C@H]([NH3+])C(=O)NC[C@H](c1ccsc1)[NH+](CC)CC ZINC000237037606 202130300 /nfs/dbraw/zinc/13/03/00/202130300.db2.gz RLTALRHSJVRQFD-CFVMTHIKSA-N 2 0 311.495 2.621 20 0 DFADRP Cc1ccc(C[NH+](C)C)cc1NC(=O)[C@@H](C[NH3+])c1ccccc1 ZINC000237050925 202136395 /nfs/dbraw/zinc/13/63/95/202136395.db2.gz YMKXFWCZIBWQFV-KRWDZBQOSA-N 2 0 311.429 2.738 20 0 DFADRP CCC[C@@H](C)[C@H]1CCC[N@@H+]1CC(=O)NC1CC[NH+](C(C)C)CC1 ZINC000135348894 283216245 /nfs/dbraw/zinc/21/62/45/283216245.db2.gz CYFRDXYDHAQKTE-SJLPKXTDSA-N 2 0 323.525 2.876 20 0 DFADRP C[NH2+]CCCC(=O)NCc1ccc(C[NH+]2CCC(C)CC2)cc1 ZINC000237184996 202180664 /nfs/dbraw/zinc/18/06/64/202180664.db2.gz PUPABLFJWAOHBB-UHFFFAOYSA-N 2 0 317.477 2.534 20 0 DFADRP C[NH2+]CCCC(=O)NCc1ccc(C[N@@H+]2CCCC[C@H]2C)cc1 ZINC000237185181 202181123 /nfs/dbraw/zinc/18/11/23/202181123.db2.gz HKVLNYDWLVOMMJ-MRXNPFEDSA-N 2 0 317.477 2.677 20 0 DFADRP CC[NH+]1CCN([C@@H](C)C[NH2+]CCc2ccc(C(C)C)cc2)CC1 ZINC000138082074 283255741 /nfs/dbraw/zinc/25/57/41/283255741.db2.gz FWWWYRHLHVEYKC-SFHVURJKSA-N 2 0 317.521 2.968 20 0 DFADRP C[C@@H]1C[C@H]([NH3+])CC[N@@H+]1CCOc1ccc(Br)cc1 ZINC000124531003 398803492 /nfs/dbraw/zinc/80/34/92/398803492.db2.gz URRMDVRGWFCZEP-DGCLKSJQSA-N 2 0 313.239 2.640 20 0 DFADRP C[C@H]([NH2+]CC1CC[NH+](Cc2ccccc2)CC1)[C@H]1CCOC1 ZINC000178634669 198901461 /nfs/dbraw/zinc/90/14/61/198901461.db2.gz CKBDGDMXVWJRED-LPHOPBHVSA-N 2 0 302.462 2.913 20 0 DFADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@@H](C(=O)OC(C)(C)C)C(C)C)[C@@H](C)C1 ZINC000594520572 398815145 /nfs/dbraw/zinc/81/51/45/398815145.db2.gz JLUILCWAVPANFE-XHSDSOJGSA-N 2 0 312.498 2.920 20 0 DFADRP COc1ccc(CN2CC[C@H](C[NH+](C)C)C2)c(OC(F)F)c1 ZINC000179632249 199067784 /nfs/dbraw/zinc/06/77/84/199067784.db2.gz QAONTBOHSKILOS-GFCCVEGCSA-N 2 0 314.376 2.680 20 0 DFADRP C[N@@H+]1C[C@@H]2C[NH+](CC3CCOCC3)C[C@@H]2[C@@H]1c1ccccc1 ZINC000075787969 398822203 /nfs/dbraw/zinc/82/22/03/398822203.db2.gz JEMJOUQIRAZFFE-QYZOEREBSA-N 2 0 300.446 2.648 20 0 DFADRP CCCC[N@H+](C)CC1CC[NH+](CC(=O)N[C@H](C)C(C)C)CC1 ZINC000052208735 398835548 /nfs/dbraw/zinc/83/55/48/398835548.db2.gz KXISCTJDFUQPQQ-MRXNPFEDSA-N 2 0 311.514 2.591 20 0 DFADRP CC(C)(C)C[NH2+]Cc1ccc(C(=O)NCC[NH+]2CCCC2)cc1 ZINC000130177573 398843030 /nfs/dbraw/zinc/84/30/30/398843030.db2.gz NFDIAGJBAYSKPC-UHFFFAOYSA-N 2 0 317.477 2.648 20 0 DFADRP CC1(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)OCCO1 ZINC000180166918 199125912 /nfs/dbraw/zinc/12/59/12/199125912.db2.gz ALUDZGIUVBJIAP-AYHJJNSGSA-N 2 0 316.445 2.535 20 0 DFADRP CC[C@@H](COC)[NH2+][C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000180166611 199125931 /nfs/dbraw/zinc/12/59/31/199125931.db2.gz XCVPNHCBSZQBKS-CADBVGFASA-N 2 0 302.462 2.912 20 0 DFADRP CC(C)C[C@@H](C[NH+](C)C)NC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000467613379 299273923 /nfs/dbraw/zinc/27/39/23/299273923.db2.gz LTINSLFITNSWFO-SJORKVTESA-N 2 0 323.525 2.734 20 0 DFADRP COC(=O)c1ccc(C[N@@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)cc1 ZINC000594734979 398851944 /nfs/dbraw/zinc/85/19/44/398851944.db2.gz GYJFGVSXGGMQLB-SFHVURJKSA-N 2 0 316.445 2.685 20 0 DFADRP Cc1ccc2c(c1)[C@@H]([NH2+]C[C@@H](C)CN1CC[NH+](C)CC1)[C@@H](C)C2 ZINC000180439668 199159226 /nfs/dbraw/zinc/15/92/26/199159226.db2.gz YIWASZGSWURMHA-UWVAXJGDSA-N 2 0 315.505 2.701 20 0 DFADRP CC[NH+](CC)[C@@H](CNC(=O)C[NH+]1CCC(C)CC1)c1ccco1 ZINC000052873307 398854232 /nfs/dbraw/zinc/85/42/32/398854232.db2.gz XTEABDLTEOJBMQ-INIZCTEOSA-N 2 0 321.465 2.511 20 0 DFADRP CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC000468111577 299276013 /nfs/dbraw/zinc/27/60/13/299276013.db2.gz VSYAONYXTUKSJT-ULQDDVLXSA-N 2 0 323.525 2.734 20 0 DFADRP C[C@@H]1CCC[C@](CNC(=O)C[C@@H]([NH3+])c2ccccc2)([NH+](C)C)C1 ZINC000237367340 202245406 /nfs/dbraw/zinc/24/54/06/202245406.db2.gz ZDKZKBXNQRVTDX-SUMDDJOVSA-N 2 0 317.477 2.703 20 0 DFADRP C[C@H]([NH2+]C[C@@H]1CC[C@@H](O)C1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000276626484 213009533 /nfs/dbraw/zinc/00/95/33/213009533.db2.gz NBDHSZRDRBQWPE-WZGPROSRSA-N 2 0 302.462 2.648 20 0 DFADRP CC[N@H+](CCC[NH2+][C@H](C)[C@@H]1C[C@@H]1C(=O)OC)C1CCCCC1 ZINC000594944686 398878528 /nfs/dbraw/zinc/87/85/28/398878528.db2.gz BCLCFDXBWCIUOW-PVAVHDDUSA-N 2 0 310.482 2.818 20 0 DFADRP COC(=O)[C@@H]1C[C@@H]1[C@H](C)[NH2+]CC1CC[NH+](CCC(C)C)CC1 ZINC000594933626 398874849 /nfs/dbraw/zinc/87/48/49/398874849.db2.gz AJYUIPBEKXQLMJ-USXIJHARSA-N 2 0 310.482 2.532 20 0 DFADRP C[C@@H](C(=O)N1CCC[C@H]1C[NH+]1CCCCC1)[NH+]1CCCCCC1 ZINC000175953510 283416003 /nfs/dbraw/zinc/41/60/03/283416003.db2.gz WHMSGYCRTCZOGF-ROUUACIJSA-N 2 0 321.509 2.728 20 0 DFADRP CC(C)[C@@H](C[NH2+][C@H](C)Cc1ccccc1F)N1CC[NH+](C)CC1 ZINC000186740338 200001222 /nfs/dbraw/zinc/00/12/22/200001222.db2.gz YEDCPUILDPCOTK-VQIMIIECSA-N 2 0 321.484 2.618 20 0 DFADRP c1cc(CCC[NH2+][C@H]2CC[N@@H+]3CCCC[C@@H]23)cc2c1OCC2 ZINC000281015204 216024023 /nfs/dbraw/zinc/02/40/23/216024023.db2.gz YYHAASUFGLLRTI-ROUUACIJSA-N 2 0 300.446 2.771 20 0 DFADRP C[NH+](C)C1CCN(CC[NH2+][C@H](c2cccnc2)C2CCC2)CC1 ZINC000281020871 216026328 /nfs/dbraw/zinc/02/63/28/216026328.db2.gz ZIZNWHPCTZUOBS-IBGZPJMESA-N 2 0 316.493 2.538 20 0 DFADRP COC(=O)CC1CCC([NH2+]CCC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000599021991 398909243 /nfs/dbraw/zinc/90/92/43/398909243.db2.gz MRFSSFLPNKRCNW-KLAILNCOSA-N 2 0 310.482 2.962 20 0 DFADRP Cc1nccnc1[C@H](C)[NH2+]Cc1ccc(OCC[NH+](C)C)cc1 ZINC000187789090 200156569 /nfs/dbraw/zinc/15/65/69/200156569.db2.gz MLCSRQBGDUQMNN-HNNXBMFYSA-N 2 0 314.433 2.576 20 0 DFADRP CCC[C@@H](C)[NH+]1CCN(CC[N@H+](C)Cc2ccccc2)CC1 ZINC000187677603 200143418 /nfs/dbraw/zinc/14/34/18/200143418.db2.gz LXWWBERJGBJDNY-GOSISDBHSA-N 2 0 303.494 2.925 20 0 DFADRP C[NH+]1CCN(CCC[NH2+][C@@H]2CC[C@](C)(c3ccccc3)C2)CC1 ZINC000187710489 200147669 /nfs/dbraw/zinc/14/76/69/200147669.db2.gz MYAJZUWRLUIVCM-UXHICEINSA-N 2 0 315.505 2.724 20 0 DFADRP COc1ccc(C[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@H+]3C)c(OC)c1 ZINC000148720596 398915930 /nfs/dbraw/zinc/91/59/30/398915930.db2.gz QJTYTVCHQCHNQD-MQVJKMGUSA-N 2 0 304.434 2.809 20 0 DFADRP COCC[N@H+](C)CCC[NH2+][C@H]1CCC[C@@H](c2ncccc2C)C1 ZINC000281136151 216103652 /nfs/dbraw/zinc/10/36/52/216103652.db2.gz FLQFNNJOAWROKJ-MSOLQXFVSA-N 2 0 319.493 2.974 20 0 DFADRP O=C(Nc1ccc(C[NH+]2CCCCCC2)cc1)[C@H]1C[C@H](F)C[NH2+]1 ZINC000188747657 200298586 /nfs/dbraw/zinc/29/85/86/200298586.db2.gz BYDZEOBPBSNJHD-DOTOQJQBSA-N 2 0 319.424 2.701 20 0 DFADRP C[C@H]1CCCC[N@@H+]1Cc1ccc(NC(=O)[C@H]2C[C@H](F)C[NH2+]2)cc1 ZINC000188712684 200292024 /nfs/dbraw/zinc/29/20/24/200292024.db2.gz VBPPKCWAMMEQIR-JLJPHGGASA-N 2 0 319.424 2.700 20 0 DFADRP [NH3+][C@H]1CCC[C@H](C(=O)Nc2ccc(CC[NH+]3CCCC3)cc2)C1 ZINC000238050503 202428974 /nfs/dbraw/zinc/42/89/74/202428974.db2.gz OCGSVNZGCJBWPB-IRXDYDNUSA-N 2 0 315.461 2.781 20 0 DFADRP C[NH+]1CCN(CCC[NH2+][C@H]2CC[C@@H](Cc3ccccc3)C2)CC1 ZINC000189008284 200335241 /nfs/dbraw/zinc/33/52/41/200335241.db2.gz URHFEYYDTBGZOI-PMACEKPBSA-N 2 0 315.505 2.625 20 0 DFADRP [NH3+]C[C@@H](Cc1ccccc1)[C@H]1CCCC[N@@H+]1CCn1cccn1 ZINC000471835199 299309584 /nfs/dbraw/zinc/30/95/84/299309584.db2.gz UTUCBEBWTZCZPY-RTBURBONSA-N 2 0 312.461 2.555 20 0 DFADRP COc1cc2c(cc1F)CC[C@H]2[NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000281239597 216177057 /nfs/dbraw/zinc/17/70/57/216177057.db2.gz NDIJJWLCFQTZOB-YVEFUNNKSA-N 2 0 304.409 2.896 20 0 DFADRP CN(c1ccccc1C[NH2+][C@@H]1CCSC1)C1CC[NH+](C)CC1 ZINC000271958752 209339659 /nfs/dbraw/zinc/33/96/59/209339659.db2.gz TXZQAGMAWXRCLD-MRXNPFEDSA-N 2 0 319.518 2.812 20 0 DFADRP C[C@H]1CCCC[N@@H+]1CCCC[NH2+]C1CCN(CC(F)F)CC1 ZINC000157870810 398956304 /nfs/dbraw/zinc/95/63/04/398956304.db2.gz UXOMAICOQZQXNZ-HNNXBMFYSA-N 2 0 317.468 2.960 20 0 DFADRP CC(C)C[C@@H]([NH3+])C(=O)Nc1nc(CN2CCC[C@@H](C)C2)cs1 ZINC000621525886 398961233 /nfs/dbraw/zinc/96/12/33/398961233.db2.gz ICYSVIGAYAZJRC-TZMCWYRMSA-N 2 0 324.494 2.687 20 0 DFADRP C[C@H](CCC[NH3+])NC(=O)NCC(C)(C)[NH2+][C@@H](C)c1ccccc1 ZINC000417621235 296036292 /nfs/dbraw/zinc/03/62/92/296036292.db2.gz HBKKEPQTQSIEAF-CABCVRRESA-N 2 0 320.481 2.542 20 0 DFADRP COC(=O)[C@@](C)(C[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1)c1ccccc1 ZINC000600150591 398972759 /nfs/dbraw/zinc/97/27/59/398972759.db2.gz FDHDPVPMYQHFLL-LPHOPBHVSA-N 2 0 318.461 2.580 20 0 DFADRP C[C@@H]([NH2+]CC1=CC[N@H+](C)CC1)c1ccc(OCC[NH+](C)C)cc1 ZINC000271870195 209282161 /nfs/dbraw/zinc/28/21/61/209282161.db2.gz MJUGLTAGJMTCCI-MRXNPFEDSA-N 3 0 317.477 2.540 20 0 DFADRP COc1c(Br)cccc1C[NH2+][C@@H]1CCC[C@H]1C[NH3+] ZINC000414801309 316662822 /nfs/dbraw/zinc/66/28/22/316662822.db2.gz LTZOJJFLEDDLOG-GXFFZTMASA-N 2 0 313.239 2.675 20 0 DFADRP CC[NH+]1CCN(C[C@H](C)C[NH2+]C[C@@H]2C(C)=CCC[C@@H]2C)CC1 ZINC000248428241 283704317 /nfs/dbraw/zinc/70/43/17/283704317.db2.gz RCILTENSLFGVAB-NZSAHSFTSA-N 2 0 307.526 2.842 20 0 DFADRP C[C@H]([NH2+]CCCC[NH+]1C[C@@H](C)O[C@H](C)C1)c1cccc(O)c1 ZINC000194872403 201303822 /nfs/dbraw/zinc/30/38/22/201303822.db2.gz RIWOLJXUPCDYAR-OAGGEKHMSA-N 2 0 306.450 2.932 20 0 DFADRP C[C@@H]([NH2+]Cc1ccnc(OCC[NH+](C)C)c1)c1cccc(O)c1 ZINC000194940066 201313142 /nfs/dbraw/zinc/31/31/42/201313142.db2.gz SRIRDQIDBKOAIF-CQSZACIVSA-N 2 0 315.417 2.578 20 0 DFADRP c1ccc(CC[NH+]2CCC(N[C@H]3CC[N@@H+](C4CC4)C3)CC2)cc1 ZINC000195267015 201369636 /nfs/dbraw/zinc/36/96/36/201369636.db2.gz WMDXSUZTYASPOG-IBGZPJMESA-N 2 0 313.489 2.520 20 0 DFADRP CC(C)c1ccc([C@H]([NH3+])CNC(=O)CC[C@@H]2CCC[NH2+]C2)cc1 ZINC000621621883 398998268 /nfs/dbraw/zinc/99/82/68/398998268.db2.gz MZIQFPLCFRLJFD-MAUKXSAKSA-N 2 0 317.477 2.706 20 0 DFADRP CC(C)[C@@H]([NH3+])CCN(C)C(=O)C(C)(C)[C@@H]([NH3+])c1ccccc1 ZINC000417812356 296053794 /nfs/dbraw/zinc/05/37/94/296053794.db2.gz LEIDLRJNJJYIBJ-HOTGVXAUSA-N 2 0 305.466 2.544 20 0 DFADRP C[C@@H]([NH2+]CCCC[NH+]1C[C@@H](C)O[C@H](C)C1)c1cccc(CO)c1 ZINC000271838400 209258826 /nfs/dbraw/zinc/25/88/26/209258826.db2.gz BFUAEZSEBBSPTK-BRWVUGGUSA-N 2 0 320.477 2.719 20 0 DFADRP CC(C)(C(=O)NC[C@H]1CC[C@H](C[NH3+])CC1)[C@@H]([NH3+])c1ccccc1 ZINC000417849671 296057731 /nfs/dbraw/zinc/05/77/31/296057731.db2.gz LPONWWJZYXQXKV-ZOBUZTSGSA-N 2 0 317.477 2.594 20 0 DFADRP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@H]1CC[C@](C)(c2ccccc2)C1 ZINC000249192004 283775961 /nfs/dbraw/zinc/77/59/61/283775961.db2.gz OJDJZIVPCRPHOH-HOJAQTOUSA-N 2 0 315.505 2.722 20 0 DFADRP C[NH+](C)CCN(CC1CCCCC1)C(=O)CC[C@@H]1CCC[NH2+]C1 ZINC000621659326 399012837 /nfs/dbraw/zinc/01/28/37/399012837.db2.gz GYXXRHDKHRFQRK-KRWDZBQOSA-N 2 0 323.525 2.737 20 0 DFADRP CC[N@H+](CCCNC(=O)CC[C@H]1CCC[NH2+]C1)C1CCCCC1 ZINC000621666249 399016054 /nfs/dbraw/zinc/01/60/54/399016054.db2.gz NGJVKUDDMODUAB-QGZVFWFLSA-N 2 0 323.525 2.927 20 0 DFADRP C[N@H+]1CC=C(C[NH2+]Cc2ccc(Oc3cnccn3)cc2)CC1 ZINC000271800001 209226316 /nfs/dbraw/zinc/22/63/16/209226316.db2.gz IPQUBPWZSJMKGK-UHFFFAOYSA-N 2 0 310.401 2.620 20 0 DFADRP CCOc1cncc(C[N@@H+]2CC[C@H](C)[C@H](n3ccnc3)C2)c1 ZINC000621719472 399044898 /nfs/dbraw/zinc/04/48/98/399044898.db2.gz OFVSDCNLASUUIM-WMLDXEAASA-N 2 0 300.406 2.760 20 0 DFADRP CC(C)[N@H+](C)Cc1cccc(CNC(=O)[C@@H]2CCCC[NH+]2C)c1 ZINC000606369341 399059469 /nfs/dbraw/zinc/05/94/69/399059469.db2.gz MRWAYZMJXZVUDK-SFHVURJKSA-N 2 0 317.477 2.627 20 0 DFADRP COC(=O)[C@@H]1CC[N@H+](CC[C@@H]2CCC[NH+]2C)[C@H]2CCCC[C@H]12 ZINC000595734607 399061631 /nfs/dbraw/zinc/06/16/31/399061631.db2.gz UJJJNDBLVFFCPO-HZMVEIRTSA-N 2 0 308.466 2.524 20 0 DFADRP C[N@H+]1CC=C(C[NH2+]Cc2c[nH]nc2-c2c(F)cccc2F)CC1 ZINC000271770110 209200484 /nfs/dbraw/zinc/20/04/84/209200484.db2.gz BJCPDELWMAETKS-UHFFFAOYSA-N 2 0 318.371 2.706 20 0 DFADRP CCC[N@@H+]1CCC[C@H]1C(=O)NCC1CC[NH+](CCC(C)C)CC1 ZINC000079655167 399072541 /nfs/dbraw/zinc/07/25/41/399072541.db2.gz OGDBPEIGFHYLKZ-SFHVURJKSA-N 2 0 323.525 2.735 20 0 DFADRP CO[C@H](CC(C)C)C[NH+]1CCC(OCC[NH+]2CCCC2)CC1 ZINC000419219510 296128546 /nfs/dbraw/zinc/12/85/46/296128546.db2.gz SZRHYSARQHXVTP-GOSISDBHSA-N 2 0 312.498 2.624 20 0 DFADRP C[C@H]([NH2+]C(C)(C)CNC(=O)C[C@@H]1CCC[C@H]1[NH3+])c1ccccc1 ZINC000261737104 203105908 /nfs/dbraw/zinc/10/59/08/203105908.db2.gz LLAPMFMDIPDPBA-BHYGNILZSA-N 2 0 317.477 2.750 20 0 DFADRP CC[C@@H](C)C[NH2+]Cc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000093074743 193201143 /nfs/dbraw/zinc/20/11/43/193201143.db2.gz OFVNVQRBECNRAG-QAPCUYQASA-N 2 0 317.477 2.520 20 0 DFADRP CC[NH+]1CCN([C@H]2CC[N@H+](Cc3ccc(C)c(C)c3)C2)CC1 ZINC000093133171 193205099 /nfs/dbraw/zinc/20/50/99/193205099.db2.gz JISNIRUWYCGICL-IBGZPJMESA-N 2 0 301.478 2.515 20 0 DFADRP CCC[C@@H]([NH3+])C(=O)NCc1ccc(C[N@@H+]2CCCC[C@H]2C)cc1 ZINC000262138078 203208801 /nfs/dbraw/zinc/20/88/01/203208801.db2.gz LNUAXVSODHIPPU-CRAIPNDOSA-N 2 0 317.477 2.805 20 0 DFADRP COC(=O)c1ccc(C[N@@H+]2CCC[C@@H](c3ncc[nH]3)C2)c(F)c1 ZINC000340172819 284154801 /nfs/dbraw/zinc/15/48/01/284154801.db2.gz BSAUARDNWFCOON-CQSZACIVSA-N 2 0 317.364 2.715 20 0 DFADRP OC[C@H]1CCC[N@@H+]1CCCC[NH2+]Cc1cc(F)cc(Cl)c1 ZINC000275000604 212066516 /nfs/dbraw/zinc/06/65/16/212066516.db2.gz NPJQMNGSHKMMKG-MRXNPFEDSA-N 2 0 314.832 2.806 20 0 DFADRP COC(=O)c1cc(C[N@@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)cs1 ZINC000595895938 399126403 /nfs/dbraw/zinc/12/64/03/399126403.db2.gz WQYQEMGVJSXBHF-LSDHHAIUSA-N 2 0 322.474 2.746 20 0 DFADRP CN(C)c1ncc(CN[C@H]2CCc3cc(F)c(F)c(F)c32)n1C ZINC000419705305 296147494 /nfs/dbraw/zinc/14/74/94/296147494.db2.gz ALSVAYXHCLCMHW-LBPRGKRZSA-N 2 0 324.350 2.681 20 0 DFADRP COc1cc(C[N@H+](C)CC(C)(C)C[NH3+])ccc1OC(F)F ZINC000093874364 193322546 /nfs/dbraw/zinc/32/25/46/193322546.db2.gz CJJOMLYLUJXJMT-UHFFFAOYSA-N 2 0 302.365 2.713 20 0 DFADRP [NH3+]CCCOC1CC[NH+](CCOc2ccccc2Cl)CC1 ZINC000094072974 193342978 /nfs/dbraw/zinc/34/29/78/193342978.db2.gz DFZBXAPFQNCQQT-UHFFFAOYSA-N 2 0 312.841 2.549 20 0 DFADRP CN1CC[C@H]([NH2+][C@H]2CCc3nc[nH]c3C2)C[C@@H]1c1ccccc1 ZINC000340398396 284180050 /nfs/dbraw/zinc/18/00/50/284180050.db2.gz ZTSGSQGXNXIJNC-TXPKVOOTSA-N 3 0 310.445 2.692 20 0 DFADRP C[C@H](C(=O)NCCC[NH2+]C1CCCCC1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000419909513 296151294 /nfs/dbraw/zinc/15/12/94/296151294.db2.gz MHMBIRKPTHAOIQ-OWCLPIDISA-N 2 0 309.498 2.676 20 0 DFADRP O=C(NCCC[NH2+]C1CCCCC1)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC000419922357 296151689 /nfs/dbraw/zinc/15/16/89/296151689.db2.gz OUVGQUHYBMNFEM-SFHVURJKSA-N 2 0 321.509 2.822 20 0 DFADRP C[C@@H](C(=O)NCCC[NH2+]C1CCCCC1)[NH+]1CCCCCC1 ZINC000419919724 296151706 /nfs/dbraw/zinc/15/17/06/296151706.db2.gz LNMZUIYDTSXGML-INIZCTEOSA-N 2 0 309.498 2.680 20 0 DFADRP CSC[C@](C)(O)C[NH2+][C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000274964652 212046534 /nfs/dbraw/zinc/04/65/34/212046534.db2.gz XFKATDJSDFTTNO-RYQLBKOJSA-N 2 0 322.518 2.601 20 0 DFADRP C[C@@H]([NH2+][C@H]1CC[C@H](O)CC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000274925760 212037987 /nfs/dbraw/zinc/03/79/87/212037987.db2.gz PUAXHTIDCGBMRS-NXWXRZEISA-N 2 0 302.462 2.790 20 0 DFADRP CCOc1cc2[nH+]ccc(N3CCC[C@@H]([NH3+])C3)c2cc1OCC ZINC000420111240 296158880 /nfs/dbraw/zinc/15/88/80/296158880.db2.gz GIHOQAFHOVIPLI-CYBMUJFWSA-N 2 0 315.417 2.960 20 0 DFADRP CC[NH+]1CCN(CCCC[NH2+][C@H](C)c2ccc(Cl)cn2)CC1 ZINC000274907605 212025735 /nfs/dbraw/zinc/02/57/35/212025735.db2.gz MLRABLWOUPZXMH-OAHLLOKOSA-N 2 0 324.900 2.803 20 0 DFADRP COc1cc2c(cc1F)[nH+]ccc2N1CCC([C@H](C)[NH3+])CC1 ZINC000420221509 296163330 /nfs/dbraw/zinc/16/33/30/296163330.db2.gz QHMFPJXJLKHXCG-NSHDSACASA-N 2 0 303.381 2.946 20 0 DFADRP CN1CC[NH2+]C[C@@H]1CNc1cc[nH+]c2cc(C(F)(F)F)ccc12 ZINC000420271086 296168003 /nfs/dbraw/zinc/16/80/03/296168003.db2.gz KARIWNZSJMOAEP-GFCCVEGCSA-N 2 0 324.350 2.569 20 0 DFADRP CCCc1ccc2[nH+]ccc(N3CCN([C@@H]4CC[NH2+]C4)CC3)c2c1 ZINC000420267840 296167502 /nfs/dbraw/zinc/16/75/02/296167502.db2.gz WZEIILYNPBHZCL-QGZVFWFLSA-N 2 0 324.472 2.671 20 0 DFADRP C[C@H]([NH3+])[C@H]1CCCCN1CCC(=O)Nc1ccc(Cl)cc1 ZINC000420279926 296168646 /nfs/dbraw/zinc/16/86/46/296168646.db2.gz XTXASAQXVIHMTO-SWLSCSKDSA-N 2 0 309.841 2.870 20 0 DFADRP Cc1[nH+]c2ccccc2c(NC[C@@H]2CCNCC2(F)F)c1C ZINC000420278383 296168710 /nfs/dbraw/zinc/16/87/10/296168710.db2.gz JFRSTIVEOMZWCI-ZDUSSCGKSA-N 2 0 305.372 2.930 20 0 DFADRP CC[NH2+]CC1CC[NH+]([C@@H](C)C(=O)Nc2cccc(C)c2C)CC1 ZINC000420293782 296170641 /nfs/dbraw/zinc/17/06/41/296170641.db2.gz RUZBCMMFQZDNTI-INIZCTEOSA-N 2 0 317.477 2.952 20 0 DFADRP COc1cc(Cl)ccc1C[NH+]1CCC(OCCC[NH3+])CC1 ZINC000420295853 296170688 /nfs/dbraw/zinc/17/06/88/296170688.db2.gz WFPSOEUODSZBFQ-UHFFFAOYSA-N 2 0 312.841 2.678 20 0 DFADRP CCc1ccccc1NC(=O)[C@H](C)[NH+]1CCC(C[NH2+]C)CC1 ZINC000420295460 296170700 /nfs/dbraw/zinc/17/07/00/296170700.db2.gz PGKIKXSWRKMODL-AWEZNQCLSA-N 2 0 303.450 2.507 20 0 DFADRP [NH3+]CCC[N@@H+]1CCC[C@H](c2nc(-c3ccc(Cl)cc3)no2)C1 ZINC000420297465 296170770 /nfs/dbraw/zinc/17/07/70/296170770.db2.gz FURGLIFNKXRIMI-ZDUSSCGKSA-N 2 0 320.824 2.918 20 0 DFADRP COc1ccc([C@@H](C[NH3+])C[N@H+](C[C@@H](C)O)C2CCCCC2)cc1 ZINC000420300738 296171565 /nfs/dbraw/zinc/17/15/65/296171565.db2.gz KKXVACQTOCZCCO-WBVHZDCISA-N 2 0 320.477 2.753 20 0 DFADRP [NH3+]CC[C@H]1CCCCN1Cc1ccn(-c2c(F)cccc2F)n1 ZINC000420309764 296172929 /nfs/dbraw/zinc/17/29/29/296172929.db2.gz FMMLTVIWMAGOTB-CQSZACIVSA-N 2 0 320.387 2.854 20 0 DFADRP Cc1cccc(NC(=O)[C@@H](C)[N@@H+]2CCC3(C2)CC[NH2+]CC3)c1C ZINC000420312541 296173232 /nfs/dbraw/zinc/17/32/32/296173232.db2.gz SIKDNVQHEQLWEQ-MRXNPFEDSA-N 2 0 315.461 2.706 20 0 DFADRP CC(C)[C@H]1CCC[N@H+](C[C@H](O)[C@@H]([NH3+])Cc2ccccc2)CC1 ZINC000420314140 296173562 /nfs/dbraw/zinc/17/35/62/296173562.db2.gz YVMKCWPCEYMTEW-FHWLQOOXSA-N 2 0 304.478 2.675 20 0 DFADRP c1ccc(C[N@@H+](CC[C@H]2CCCCO2)[C@H]2CCC[NH2+]CC2)nc1 ZINC000420313718 296173677 /nfs/dbraw/zinc/17/36/77/296173677.db2.gz PTTJWSWFTGJWRM-RBUKOAKNSA-N 2 0 317.477 2.985 20 0 DFADRP CC(C)(C)C[C@H]1CCC[N@@H+]1C[C@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC000420312788 296173782 /nfs/dbraw/zinc/17/37/82/296173782.db2.gz XGSFTAZRTFHVLI-SQNIBIBYSA-N 2 0 304.478 2.818 20 0 DFADRP COc1ccc(CC[NH2+][C@@H]2C[C@H](C)[N@H+](C)C[C@@H]2C)c(OC)c1 ZINC000341886720 284283049 /nfs/dbraw/zinc/28/30/49/284283049.db2.gz CCTSYEHGTZYFQA-GRDNDAEWSA-N 2 0 306.450 2.565 20 0 DFADRP CC[N@H+](CCC[NH3+])C1CCN(c2cc(C)nc(C(C)C)n2)CC1 ZINC000420315623 296174209 /nfs/dbraw/zinc/17/42/09/296174209.db2.gz LAGFHCJADLPIAC-UHFFFAOYSA-N 2 0 319.497 2.548 20 0 DFADRP COc1ccc(OC)c(C[N@H+](CC[C@@H]2CC[NH2+]C2)C2CC2)c1 ZINC000420324552 296175205 /nfs/dbraw/zinc/17/52/05/296175205.db2.gz VQIFGPPXMJJMHB-AWEZNQCLSA-N 2 0 304.434 2.668 20 0 DFADRP COc1cc(C)c(C[N@H+](C)CC[C@H]2CCC[NH2+]C2)cc1OC ZINC000420326220 296175597 /nfs/dbraw/zinc/17/55/97/296175597.db2.gz WYPPOQBJGTVFHH-OAHLLOKOSA-N 2 0 306.450 2.834 20 0 DFADRP [NH3+][C@@H](Cc1ccccc1)[C@@H](O)C[N@@H+]1CCC[C@@H]1C1CCCCC1 ZINC000420327279 296175719 /nfs/dbraw/zinc/17/57/19/296175719.db2.gz YBVXIBJUJOMCHL-ZCNNSNEGSA-N 2 0 316.489 2.962 20 0 DFADRP Cc1ccccc1[C@H](C)[N@H+](C)C[C@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC000420325872 296175729 /nfs/dbraw/zinc/17/57/29/296175729.db2.gz WWTAPBUONHZRDC-VDGAXYAQSA-N 2 0 312.457 2.919 20 0 DFADRP CC[NH+](CC)CCOC1CC[NH+](CCOc2ccccc2)CC1 ZINC000080645838 399165853 /nfs/dbraw/zinc/16/58/53/399165853.db2.gz WUQPCTYOBRRFJG-UHFFFAOYSA-N 2 0 320.477 2.888 20 0 DFADRP O=C(C[NH+]1CCC([C@@H]2CCC[NH2+]2)CC1)NCCC1CCCCC1 ZINC000420329923 296176078 /nfs/dbraw/zinc/17/60/78/296176078.db2.gz AJRDDBXMIDKBSD-SFHVURJKSA-N 2 0 321.509 2.537 20 0 DFADRP COC(=O)c1cc(C[N@@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)c(C)s1 ZINC000420338906 296177444 /nfs/dbraw/zinc/17/74/44/296177444.db2.gz YGYGHTWLWNTGHF-UONOGXRCSA-N 2 0 322.474 2.665 20 0 DFADRP Fc1ccc(OCCC[N@@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)cc1 ZINC000420334982 296176802 /nfs/dbraw/zinc/17/68/02/296176802.db2.gz GZRSGOBVGDKABW-HZPDHXFCSA-N 2 0 306.425 2.916 20 0 DFADRP CCc1ccccc1NC(=O)[C@@H](C)[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000420342398 296177876 /nfs/dbraw/zinc/17/78/76/296177876.db2.gz QTAUGAZKGHMAJZ-OIISXLGYSA-N 2 0 315.461 2.507 20 0 DFADRP CCc1ccccc1NC(=O)[C@@H](C)[NH+]1CCC2(CC[NH2+]C2)CC1 ZINC000420345099 296177991 /nfs/dbraw/zinc/17/79/91/296177991.db2.gz VFQOPQXLMKRRCD-OAHLLOKOSA-N 2 0 315.461 2.652 20 0 DFADRP COc1ccc(OCCC[N@@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)cc1 ZINC000420344979 296178094 /nfs/dbraw/zinc/17/80/94/296178094.db2.gz VJRVAFLILJDPFA-DLBZAZTESA-N 2 0 318.461 2.786 20 0 DFADRP c1ccc(-c2noc(C[N@@H+]3CCC[C@@H]([C@@H]4CC[NH2+]C4)C3)n2)cc1 ZINC000420344593 296178118 /nfs/dbraw/zinc/17/81/18/296178118.db2.gz UEYGWJOMNSQKSI-HZPDHXFCSA-N 2 0 312.417 2.558 20 0 DFADRP O=C(C[N@@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1)Nc1cccc(Cl)c1 ZINC000420344033 296178154 /nfs/dbraw/zinc/17/81/54/296178154.db2.gz RUDQQQXHKILSPR-KGLIPLIRSA-N 2 0 321.852 2.600 20 0 DFADRP C[C@@H]1C[C@H]([NH2+]CC2([S@@](C)=O)CC2)CCN1Cc1ccccc1 ZINC000282480089 217026919 /nfs/dbraw/zinc/02/69/19/217026919.db2.gz WTYCKACCKZKZQU-ZDPZECHZSA-N 2 0 320.502 2.540 20 0 DFADRP CCc1ccc(NC(=O)[C@H](C)[N@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)cc1 ZINC000420347380 296178502 /nfs/dbraw/zinc/17/85/02/296178502.db2.gz YILFXYXRAZWWKS-BHYGNILZSA-N 2 0 315.461 2.507 20 0 DFADRP Cc1cccc(NC(=O)[C@@H](C)[N@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)c1C ZINC000420347149 296178569 /nfs/dbraw/zinc/17/85/69/296178569.db2.gz XRIYZECWOTTZDF-ZACQAIPSSA-N 2 0 315.461 2.562 20 0 DFADRP Cc1ccc2c(c1)[C@H]([NH2+]CCN1CC[N@@H+](C)C(C)(C)C1)CCC2 ZINC000282506281 217049087 /nfs/dbraw/zinc/04/90/87/217049087.db2.gz YNYIXVUCDRHZEI-LJQANCHMSA-N 2 0 315.505 2.988 20 0 DFADRP CC1(C)C[NH2+]CC[C@@H]1[NH2+]CCOc1ccc(F)cc1Cl ZINC000420355969 296179111 /nfs/dbraw/zinc/17/91/11/296179111.db2.gz FVXHFLPDOJZTQQ-AWEZNQCLSA-N 2 0 300.805 2.836 20 0 DFADRP C(CC1CC[NH+](CC[C@@H]2CCC[NH2+]C2)CC1)C[NH+]1CCCC1 ZINC000420365442 296180708 /nfs/dbraw/zinc/18/07/08/296180708.db2.gz SDKXREZVLIIRHA-IBGZPJMESA-N 3 0 307.526 2.964 20 0 DFADRP c1nc([C@@H]2CCC[N@@H+](CC[C@H]3CCC[NH2+]C3)C2)n2c1CCCC2 ZINC000420362118 296180364 /nfs/dbraw/zinc/18/03/64/296180364.db2.gz AHRHMWXQYIPLPB-IAGOWNOFSA-N 2 0 316.493 2.789 20 0 DFADRP C[C@@H](c1ccsc1)N1CC[NH+](CC[C@@H]2CCC[NH2+]C2)CC1 ZINC000420362002 296180531 /nfs/dbraw/zinc/18/05/31/296180531.db2.gz AAXISLIREWVMRN-HOTGVXAUSA-N 2 0 307.507 2.816 20 0 DFADRP COc1ccc([C@H](C[NH3+])C[N@@H+]2CCC[C@@H]2c2cccnc2)cc1 ZINC000420364971 296180863 /nfs/dbraw/zinc/18/08/63/296180863.db2.gz RQMZKTJBNWKWKA-IEBWSBKVSA-N 2 0 311.429 2.970 20 0 DFADRP C[N@H+](Cc1cccc(C(F)(F)F)c1)C1CCN(CC[NH3+])CC1 ZINC000420370753 296181928 /nfs/dbraw/zinc/18/19/28/296181928.db2.gz ZBDKNSJQRDTRFD-UHFFFAOYSA-N 2 0 315.383 2.560 20 0 DFADRP CC[C@H](c1ccccc1)[N@H+](CC[C@H]1CC[NH2+]C1)CC(=O)OC ZINC000420373633 296182461 /nfs/dbraw/zinc/18/24/61/296182461.db2.gz MRNPNOVKLUAINW-NVXWUHKLSA-N 2 0 304.434 2.612 20 0 DFADRP C[C@H]([NH2+]C[C@H](O)[C@@H]([NH3+])Cc1ccccc1)c1ccc(Cl)cc1 ZINC000420377052 296182560 /nfs/dbraw/zinc/18/25/60/296182560.db2.gz RMGPXSGKVYQMBN-KKXDTOCCSA-N 2 0 318.848 2.922 20 0 DFADRP FC(F)(F)c1ccn(C2CC[NH+](CC[C@@H]3CC[NH2+]C3)CC2)n1 ZINC000420379754 296183174 /nfs/dbraw/zinc/18/31/74/296183174.db2.gz VOXKAOVGVYXUBO-LBPRGKRZSA-N 2 0 316.371 2.538 20 0 DFADRP c1ccc(CCOCCC[N@@H+]2CCC[C@@]3(CC[NH2+]C3)C2)cc1 ZINC000420376403 296182853 /nfs/dbraw/zinc/18/28/53/296182853.db2.gz OYOAMDVITJIKBS-IBGZPJMESA-N 2 0 302.462 2.711 20 0 DFADRP Cn1c2ccccc2nc1CC[N@@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000420378069 296183323 /nfs/dbraw/zinc/18/33/23/296183323.db2.gz BBWLAKZYJNYAMB-RDJZCZTQSA-N 2 0 312.461 2.580 20 0 DFADRP C[C@@H]1CCCC[C@@H]1OCC[NH+]1CCC([C@H]2C[C@H]([NH3+])CCO2)CC1 ZINC000420383277 296183895 /nfs/dbraw/zinc/18/38/95/296183895.db2.gz FNYDQPVJAIDGAZ-OQIJWPOYSA-N 2 0 324.509 2.800 20 0 DFADRP C[NH2+]CCCN1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000420382798 296183901 /nfs/dbraw/zinc/18/39/01/296183901.db2.gz YRHMGLPEKDQJKR-OALUTQOASA-N 2 0 301.478 2.582 20 0 DFADRP [NH3+][C@H]1CCCO[C@H]1C1CC[NH+](CCCc2cccc(F)c2)CC1 ZINC000420384711 296184027 /nfs/dbraw/zinc/18/40/27/296184027.db2.gz RWJFJEINXJXFPI-OALUTQOASA-N 2 0 320.452 2.977 20 0 DFADRP c1cc(CC[N@@H+]2CCCC[C@@H]2[C@H]2CC[NH2+]C2)cc2c1OCC2 ZINC000420390911 296184955 /nfs/dbraw/zinc/18/49/55/296184955.db2.gz HYQIYNQMLALTQN-ZWKOTPCHSA-N 2 0 300.446 2.628 20 0 DFADRP CSc1ccccc1NC(=O)CC[N@@H+]1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000420395612 296185666 /nfs/dbraw/zinc/18/56/66/296185666.db2.gz DODIFRURUGGBAR-ZIAGYGMSSA-N 2 0 321.490 2.654 20 0 DFADRP Cc1ccsc1[C@H](Cc1ccccc1)[NH2+]CCOCC[NH3+] ZINC000420398324 296185943 /nfs/dbraw/zinc/18/59/43/296185943.db2.gz GXAHEMUKGVXIIZ-INIZCTEOSA-N 2 0 304.459 2.905 20 0 DFADRP CCOc1ccc(OCC[N@@H+]2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)cc1 ZINC000420400322 296186037 /nfs/dbraw/zinc/18/60/37/296186037.db2.gz ORZOQXUJMYZBPQ-VQIMIIECSA-N 2 0 318.461 2.928 20 0 DFADRP CCOc1ccc(OCC[N@@H+]2CCCC[C@H]2[C@@H]2CC[NH2+]C2)cc1 ZINC000420400315 296186258 /nfs/dbraw/zinc/18/62/58/296186258.db2.gz ORZOQXUJMYZBPQ-APWZRJJASA-N 2 0 318.461 2.928 20 0 DFADRP CCOc1ccccc1OCC[N@@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000420412589 296187582 /nfs/dbraw/zinc/18/75/82/296187582.db2.gz ZJORCTYQGCKZOO-SJORKVTESA-N 2 0 318.461 2.928 20 0 DFADRP Cn1c2ccccc2nc1CC[NH+]1CCC(CC[NH+](C)C)CC1 ZINC000266028306 205039874 /nfs/dbraw/zinc/03/98/74/205039874.db2.gz ZKJBMYADEBODCM-UHFFFAOYSA-N 2 0 314.477 2.780 20 0 DFADRP C[NH+](C)CCOc1ccccc1C[NH2+]C/C=C/c1ccncc1 ZINC000486965024 299434821 /nfs/dbraw/zinc/43/48/21/299434821.db2.gz CKLAEYOTFLQZHL-AATRIKPKSA-N 2 0 311.429 2.825 20 0 DFADRP O[C@@H]1CC[N@H+](Cc2ccccc2C[NH2+][C@H]2CCC23CCC3)C1 ZINC000282763384 217233329 /nfs/dbraw/zinc/23/33/29/217233329.db2.gz OKCPPZHNPGGQHX-MSOLQXFVSA-N 2 0 300.446 2.676 20 0 DFADRP C[C@H](C(=O)N[C@@H]1CC[NH+](C2CCCCC2)C1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000618660377 399200915 /nfs/dbraw/zinc/20/09/15/399200915.db2.gz JMZMHYQAMXCHFN-YYIAUSFCSA-N 2 0 321.509 2.771 20 0 DFADRP Cc1ccc(CN2C[C@@H]3CCC[NH2+][C@@H]3C2)c(-c2cnn(C)c2)c1 ZINC000282900439 217311936 /nfs/dbraw/zinc/31/19/36/217311936.db2.gz YRKYDPDEWVCUBS-QFBILLFUSA-N 2 0 310.445 2.579 20 0 DFADRP COC(=O)[C@H]1CC[C@@H]([NH2+]C2CC[NH+]([C@@H]3CCCC[C@@H]3C)CC2)C1 ZINC000365308434 284381641 /nfs/dbraw/zinc/38/16/41/284381641.db2.gz QGKJZBQFMFDFIU-CWLKWCNXSA-N 2 0 322.493 2.961 20 0 DFADRP CCOC(=O)[C@H]1CC[C@H]([NH2+]CCC[NH+](C)C)c2ccccc21 ZINC000283004228 217382016 /nfs/dbraw/zinc/38/20/16/217382016.db2.gz GMKFWMFPJAVLRJ-IRXDYDNUSA-N 2 0 304.434 2.710 20 0 DFADRP Cc1cc(CNC(=O)NCC[N@H+]2[C@H](C)CCC[C@@H]2C)cc(C)n1 ZINC000420781013 296201441 /nfs/dbraw/zinc/20/14/41/296201441.db2.gz AGHLSBSVYBNKEV-IYBDPMFKSA-N 2 0 318.465 2.761 20 0 DFADRP C[C@@H]1[NH2+]CCC[C@H]1C(=O)NCC1([NH+]2CCCCC2)CCCCC1 ZINC000342759240 284404901 /nfs/dbraw/zinc/40/49/01/284404901.db2.gz XFPBFQCQUHMZFI-DLBZAZTESA-N 2 0 321.509 2.680 20 0 DFADRP CC[NH+]1CCC(N2CCC[N@H+](Cc3cccc(F)c3)CC2)CC1 ZINC000421013380 296225166 /nfs/dbraw/zinc/22/51/66/296225166.db2.gz QWKQFYHVKGBTCT-UHFFFAOYSA-N 2 0 319.468 2.818 20 0 DFADRP CCCN(CC[NH+]1CCCCC1)C(=O)[C@H](C)[NH+]1CCCCCC1 ZINC000622596882 399261792 /nfs/dbraw/zinc/26/17/92/399261792.db2.gz MTVSMKZGOBDMJS-SFHVURJKSA-N 2 0 323.525 2.975 20 0 DFADRP CC[NH+]1CCN(CCC[NH2+]Cc2cccc(C3CC3)c2)CC1 ZINC000421342422 296245825 /nfs/dbraw/zinc/24/58/25/296245825.db2.gz NIYOMFBQXOLHJN-UHFFFAOYSA-N 2 0 301.478 2.681 20 0 DFADRP C[NH+](C)C1CCC([NH2+]Cc2ncc(Br)s2)CC1 ZINC000421372808 296249989 /nfs/dbraw/zinc/24/99/89/296249989.db2.gz MUIYVINOVJECBC-UHFFFAOYSA-N 2 0 318.284 2.868 20 0 DFADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)C1CCCCCC1 ZINC000101961047 193851971 /nfs/dbraw/zinc/85/19/71/193851971.db2.gz ZBEQFSZMDXJUIH-UHFFFAOYSA-N 2 0 311.514 2.689 20 0 DFADRP CC(C)[NH+]1CCC(O)(C[NH2+]Cc2ccc(Cl)s2)CC1 ZINC000344643441 284664014 /nfs/dbraw/zinc/66/40/14/284664014.db2.gz VIMGHFBZPKGUHI-UHFFFAOYSA-N 2 0 302.871 2.726 20 0 DFADRP CC1(C)CC[C@H]1[NH2+]Cc1ccccc1C[N@@H+]1CCC[C@@H]1CO ZINC000284411283 218016974 /nfs/dbraw/zinc/01/69/74/218016974.db2.gz QHMWUZNDQHBKDK-QZTJIDSGSA-N 2 0 302.462 2.922 20 0 DFADRP C[NH+](C)CC1CN(C(=O)c2cccc(Oc3ccncc3)c2)C1 ZINC000615510174 399345088 /nfs/dbraw/zinc/34/50/88/399345088.db2.gz BXSAKACQQJRRFV-UHFFFAOYSA-N 2 0 311.385 2.508 20 0 DFADRP C[C@H]([C@H]1CC[N@H+](Cc2ccccc2)C1)N1CCc2n[nH]cc2C1 ZINC000623242310 399345393 /nfs/dbraw/zinc/34/53/93/399345393.db2.gz WOPHDOGKDPTQSS-WBVHZDCISA-N 2 0 310.445 2.678 20 0 DFADRP C[C@H]([C@@H]1CC[N@H+](Cc2ccccc2)C1)N1CCc2n[nH]cc2C1 ZINC000623242308 399345414 /nfs/dbraw/zinc/34/54/14/399345414.db2.gz WOPHDOGKDPTQSS-NVXWUHKLSA-N 2 0 310.445 2.678 20 0 DFADRP C[N@@H+]1CC[C@@H]([NH2+]Cc2ccccc2Cn2cccn2)CC1(C)C ZINC000623344513 399367166 /nfs/dbraw/zinc/36/71/66/399367166.db2.gz PUFCLRFIEAOPLE-GOSISDBHSA-N 2 0 312.461 2.894 20 0 DFADRP C[C@@H](N[C@@H]1CC[N@H+](C)C(C)(C)C1)c1nnc2n1CCCCC2 ZINC000623352102 399369225 /nfs/dbraw/zinc/36/92/25/399369225.db2.gz OXNVZAGHVADLFU-ZIAGYGMSSA-N 2 0 305.470 2.528 20 0 DFADRP CC[NH+](CC)[C@@H](CNC(=O)C1([NH3+])CCCC1)c1ccsc1 ZINC000236818962 284766601 /nfs/dbraw/zinc/76/66/01/284766601.db2.gz KRXMSSYMBXBXHK-AWEZNQCLSA-N 2 0 309.479 2.519 20 0 DFADRP CCOc1ccc(C[N@H+](C)CC2CC[NH+](C[C@@H](C)O)CC2)cc1 ZINC000105915550 194168907 /nfs/dbraw/zinc/16/89/07/194168907.db2.gz JEEIAUDDWGZEBQ-MRXNPFEDSA-N 2 0 320.477 2.610 20 0 DFADRP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)Cc2ccc(Cl)cc2)CC1 ZINC000106126846 194187599 /nfs/dbraw/zinc/18/75/99/194187599.db2.gz WEVIMGZBGQHQDF-CQSZACIVSA-N 2 0 310.869 2.865 20 0 DFADRP COC(=O)c1csc([C@H](C)[NH2+][C@H]2CC[NH2+]CC(C)(C)C2)c1 ZINC000602020554 399386041 /nfs/dbraw/zinc/38/60/41/399386041.db2.gz MHCYDIQXAFIECE-AAEUAGOBSA-N 2 0 310.463 2.964 20 0 DFADRP Cc1cccn2cc(CC[NH2+][C@H]3CC[N@@H+](C)C(C)(C)C3)nc12 ZINC000623438319 399389439 /nfs/dbraw/zinc/38/94/39/399389439.db2.gz VOQIOFQJRPPUSQ-HNNXBMFYSA-N 2 0 300.450 2.648 20 0 DFADRP CCC[NH+]1CCC([N@H+](C)CCC(=O)Nc2ccccc2)CC1 ZINC000109786640 194284330 /nfs/dbraw/zinc/28/43/30/194284330.db2.gz IUSCENCXHAHKIM-UHFFFAOYSA-N 2 0 303.450 2.821 20 0 DFADRP CNC(=O)C[C@@H](C)[NH2+]Cc1ccccc1C[N@@H+]1CCCC[C@H]1C ZINC000268813898 206979378 /nfs/dbraw/zinc/97/93/78/206979378.db2.gz LNQUYTSEPUQMLW-HZPDHXFCSA-N 2 0 317.477 2.675 20 0 DFADRP C[NH+](C)C1CCN(CC[NH2+]Cc2ccc(Cl)s2)CC1 ZINC000053382937 183900624 /nfs/dbraw/zinc/90/06/24/183900624.db2.gz HXRNEASJHJDKKM-UHFFFAOYSA-N 2 0 301.887 2.517 20 0 DFADRP C[C@H]([NH2+]CCOCC1CC1)c1ccc(OCC[NH+](C)C)cc1 ZINC000268854359 207022894 /nfs/dbraw/zinc/02/28/94/207022894.db2.gz COXXBARZSCTDAI-HNNXBMFYSA-N 2 0 306.450 2.704 20 0 DFADRP C[C@H]([NH2+][C@H]1CC[N@H+](C)C(C)(C)C1)c1ccc(-n2ccnn2)cc1 ZINC000623473714 399397609 /nfs/dbraw/zinc/39/76/09/399397609.db2.gz FJKFAHBYOYKFNY-HOCLYGCPSA-N 2 0 313.449 2.791 20 0 DFADRP C[C@H]([NH3+])C1CC[NH+](Cc2cc(Cl)c3c(c2)OCCO3)CC1 ZINC000110648607 194345903 /nfs/dbraw/zinc/34/59/03/194345903.db2.gz OGJPYCSKIBSKQO-NSHDSACASA-N 2 0 310.825 2.670 20 0 DFADRP C[N@@H+]1CC[C@@H]([NH2+][C@H]2CCOC3(CCSCC3)C2)CC1(C)C ZINC000623467159 399396392 /nfs/dbraw/zinc/39/63/92/399396392.db2.gz ZMJOOXNXTMQVEI-CABCVRRESA-N 2 0 312.523 2.894 20 0 DFADRP C[C@H](CC[NH+](C)C)[NH2+][C@@H](C)c1ccc(N2CCOC2=O)cc1 ZINC000268868404 207037394 /nfs/dbraw/zinc/03/73/94/207037394.db2.gz CPVJVPNWADUSPV-KGLIPLIRSA-N 2 0 305.422 2.634 20 0 DFADRP C[N@@H+]1CC[C@H](N[C@H]2CC[NH+](C)C(C)(C)C2)[C@@H]1c1ccccc1 ZINC000623475523 399397497 /nfs/dbraw/zinc/39/74/97/399397497.db2.gz PZAZQMUGPCOEAE-BZSNNMDCSA-N 2 0 301.478 2.894 20 0 DFADRP C[C@@H]1C[C@@H](C)[N@H+](CCC(=O)Nc2ccc(Cl)cc2)C[C@@H]1C[NH3+] ZINC000422625042 296316346 /nfs/dbraw/zinc/31/63/46/296316346.db2.gz AKGJGJGMTNNTLF-MCIONIFRSA-N 2 0 323.868 2.974 20 0 DFADRP CC[N@H+](CCN[C@@H]1CC[NH+](Cc2ccccc2)C[C@H]1C)C1CC1 ZINC000268895308 207064818 /nfs/dbraw/zinc/06/48/18/207064818.db2.gz ZUVPCYTYIWSCPY-YLJYHZDGSA-N 2 0 315.505 2.971 20 0 DFADRP CN(C)c1c(C[NH2+]CC2(C)CC[NH+](C)CC2)ccc(F)c1F ZINC000623487842 399400338 /nfs/dbraw/zinc/40/03/38/399400338.db2.gz WOBIEDABLPZKDV-UHFFFAOYSA-N 2 0 311.420 2.852 20 0 DFADRP CC[NH+](CC)CCOc1ccc(C[NH2+][C@H](C)COC)cc1OC ZINC000268901899 207071731 /nfs/dbraw/zinc/07/17/31/207071731.db2.gz WVTVJHIKZSYHRT-OAHLLOKOSA-N 2 0 324.465 2.540 20 0 DFADRP CCOc1cc(C[NH2+][C@@H](C)C[C@@H](C)[NH3+])ccc1OC(F)F ZINC000422695936 296318125 /nfs/dbraw/zinc/31/81/25/296318125.db2.gz QPRCBJVVILHYJC-MNOVXSKESA-N 2 0 302.365 2.902 20 0 DFADRP COc1ccc(CCC[NH2+][C@H]2CCCC[C@H]2C[NH3+])cc1OC ZINC000422699166 296318283 /nfs/dbraw/zinc/31/82/83/296318283.db2.gz AHEXUUPDTBLVPX-HOTGVXAUSA-N 2 0 306.450 2.744 20 0 DFADRP CCC[C@@](C)(O)C[NH2+][C@H](C)c1ccc(OCC[NH+](C)C)cc1 ZINC000268921903 207089893 /nfs/dbraw/zinc/08/98/93/207089893.db2.gz WVSYAZHJONBJFY-CRAIPNDOSA-N 2 0 308.466 2.829 20 0 DFADRP COc1cccc2c1CC[C@H]2[NH2+]CCCC[N@@H+]1CCC[C@@H]1CO ZINC000268925739 207091793 /nfs/dbraw/zinc/09/17/93/207091793.db2.gz PTWLLOLPVNDUOR-CRAIPNDOSA-N 2 0 318.461 2.509 20 0 DFADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]CC(C)(C)N1CCc2ccccc2C1 ZINC000422704180 296318826 /nfs/dbraw/zinc/31/88/26/296318826.db2.gz OTGDEBSMJCJVLF-VQIMIIECSA-N 2 0 315.505 2.801 20 0 DFADRP C[C@@H]([NH3+])C[C@@H](C)[NH2+]Cc1cccc(NC(=O)c2ccccn2)c1 ZINC000422704672 296318933 /nfs/dbraw/zinc/31/89/33/296318933.db2.gz AKSVBSPQOAOYRY-ZIAGYGMSSA-N 2 0 312.417 2.549 20 0 DFADRP C[N@@H+]1CC[C@@H]([NH2+][C@H]2CC[C@@H](C(=O)N3CCCCC3)C2)CC1(C)C ZINC000623513069 399405743 /nfs/dbraw/zinc/40/57/43/399405743.db2.gz HGFDBXNTQRNUOZ-IXDOHACOSA-N 2 0 321.509 2.630 20 0 DFADRP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]Cc1cccc(COC2CCOCC2)c1 ZINC000422713429 296320234 /nfs/dbraw/zinc/32/02/34/296320234.db2.gz PRCZYXUZNLTZDV-HKUYNNGSSA-N 2 0 318.461 2.599 20 0 DFADRP C[C@H](C(=O)N1[C@H](C)CCC[C@H]1C)[NH+]1CCC(CC[NH+](C)C)CC1 ZINC000056523664 184014895 /nfs/dbraw/zinc/01/48/95/184014895.db2.gz LEMKIBDDNSSTKE-BRWVUGGUSA-N 2 0 323.525 2.828 20 0 DFADRP C[C@H](CCCC[NH3+])[NH2+]Cc1cccc(COC2CCOCC2)c1 ZINC000422713906 296320368 /nfs/dbraw/zinc/32/03/68/296320368.db2.gz QCYVGHDCFNGMHA-MRXNPFEDSA-N 2 0 320.477 2.989 20 0 DFADRP C[C@H](CN[C@@H]1CC[NH2+][C@@H](c2ccccc2)C1)C[NH+]1CCCC1 ZINC000422710023 296319802 /nfs/dbraw/zinc/31/98/02/296319802.db2.gz DSNSPDSXRKRWQH-BHIYHBOVSA-N 2 0 301.478 2.801 20 0 DFADRP c1ccc([C@@H]2C[C@@H](NC3CC[NH+](CC4CC4)CC3)CC[NH2+]2)cc1 ZINC000422710605 296319851 /nfs/dbraw/zinc/31/98/51/296319851.db2.gz FDHBNONWWAPFOQ-PMACEKPBSA-N 2 0 313.489 2.944 20 0 DFADRP C[C@H](CN[C@@H](Cc1ccccc1)[C@H](C)[NH3+])C[NH+]1CCCCC1 ZINC000422709280 296319877 /nfs/dbraw/zinc/31/98/77/296319877.db2.gz KGUSVDZLOVGVIO-AOIWGVFYSA-N 2 0 303.494 2.657 20 0 DFADRP CCC(CC)C(=O)N1CCC([NH2+][C@H]2CCCCC[C@H]2[NH3+])CC1 ZINC000422718056 296320966 /nfs/dbraw/zinc/32/09/66/296320966.db2.gz KZXFKQXPDCXWBI-SJORKVTESA-N 2 0 309.498 2.663 20 0 DFADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]C1CCN(Cc2ccc(F)cc2)CC1 ZINC000422715317 296320587 /nfs/dbraw/zinc/32/05/87/296320587.db2.gz JBPBEMUIDSVZHV-LPHOPBHVSA-N 2 0 319.468 2.897 20 0 DFADRP [NH3+]C[C@H]1CCCC[C@H]1[NH2+]C1CCN(Cc2ccc(F)cc2)CC1 ZINC000422715319 296320603 /nfs/dbraw/zinc/32/06/03/296320603.db2.gz JBPBEMUIDSVZHV-VQIMIIECSA-N 2 0 319.468 2.897 20 0 DFADRP CN(C)[C@H](C[NH2+][C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1)c1ccc(F)cc1 ZINC000422714457 296320730 /nfs/dbraw/zinc/32/07/30/296320730.db2.gz RARAVYOFGVOOBV-WJFTUGDTSA-N 2 0 319.468 2.939 20 0 DFADRP C[C@@H](NC[C@@H]1CC[N@H+](CCc2ccccc2)C1)[C@@H]1CCCC[NH2+]1 ZINC000422718531 296320906 /nfs/dbraw/zinc/32/09/06/296320906.db2.gz PWAXDVLAWVLGKX-HOJAQTOUSA-N 2 0 315.505 2.671 20 0 DFADRP CC[C@@H]([NH2+]CCc1ccc(NC(C)=O)cc1)[C@@H]1CCCC[NH2+]1 ZINC000422722451 296321608 /nfs/dbraw/zinc/32/16/08/296321608.db2.gz XWYFODMRJDKNSC-MSOLQXFVSA-N 2 0 303.450 2.698 20 0 DFADRP C[N@@H+]1CC[C@H]([NH2+][C@@H]2CCO[C@@H](c3ccccn3)C2)CC1(C)C ZINC000623541512 399412458 /nfs/dbraw/zinc/41/24/58/399412458.db2.gz NJIGCWMONPGGCM-HLLBOEOZSA-N 2 0 303.450 2.764 20 0 DFADRP C[C@@H](CCC[NH3+])[NH2+]C1CCN(Cc2ccc(F)c(F)c2)CC1 ZINC000422725260 296322072 /nfs/dbraw/zinc/32/20/72/296322072.db2.gz XSRBVXZODOHTMT-ZDUSSCGKSA-N 2 0 311.420 2.646 20 0 DFADRP [NH3+][C@@H]1CCCCC[C@@H]1NC1CC[NH+](Cc2ccccc2)CC1 ZINC000422726148 296322225 /nfs/dbraw/zinc/32/22/25/296322225.db2.gz DGHHXZPXSVTBHB-MOPGFXCFSA-N 2 0 301.478 2.901 20 0 DFADRP CCC[C@H](C[NH2+]Cc1cn(-c2cc[nH+]cc2)nc1C)OCC ZINC000623598668 399424794 /nfs/dbraw/zinc/42/47/94/399424794.db2.gz JYHFZXKITYSUAE-QGZVFWFLSA-N 2 0 302.422 2.871 20 0 DFADRP CN(CCC[NH2+]Cc1ccsc1C(F)(F)F)CC[NH+](C)C ZINC000623576074 399420197 /nfs/dbraw/zinc/42/01/97/399420197.db2.gz DDWLGTQVRFXMMQ-UHFFFAOYSA-N 2 0 323.428 2.740 20 0 DFADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]C1CCN(Cc2ccccc2)CC1 ZINC000422726814 296322414 /nfs/dbraw/zinc/32/24/14/296322414.db2.gz GACFKIJJESCHMC-VQIMIIECSA-N 2 0 301.478 2.629 20 0 DFADRP CC[NH+](CC)CCCN[C@@H](c1ccc(OC)cc1)[C@H]1CCC[NH2+]1 ZINC000422728253 296322430 /nfs/dbraw/zinc/32/24/30/296322430.db2.gz IXWOMOTWQYSQAE-MOPGFXCFSA-N 2 0 319.493 2.810 20 0 DFADRP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+]CC1(C(=O)N(C)C)CCCC1 ZINC000422730588 296323133 /nfs/dbraw/zinc/32/31/33/296323133.db2.gz MFPLCUHMLAPTOE-HZPDHXFCSA-N 2 0 309.498 2.535 20 0 DFADRP C[C@@H]([NH2+][C@@H](C)CC[NH+](C)C)c1cccc(N2CCOCC2)c1 ZINC000268995763 207152615 /nfs/dbraw/zinc/15/26/15/207152615.db2.gz KNCHSFQGNYBWIP-JKSUJKDBSA-N 2 0 305.466 2.514 20 0 DFADRP C[C@@H](CC[NH+](C)C)[NH2+][C@@H](C)c1cccc(OCC[NH+](C)C)c1 ZINC000268995771 207154322 /nfs/dbraw/zinc/15/43/22/207154322.db2.gz KNJPWHQLMCOFQJ-HOTGVXAUSA-N 3 0 307.482 2.618 20 0 DFADRP CO[C@H](C[NH2+][C@@H](C)c1cccc(OCC[NH+](C)C)c1)C(C)C ZINC000269011557 207163261 /nfs/dbraw/zinc/16/32/61/207163261.db2.gz XNQLOJZECYAILT-MAUKXSAKSA-N 2 0 308.466 2.949 20 0 DFADRP C[N@@H+]1CCCC[C@@H](C[NH2+]C2CCN(C(=O)CC(C)(C)C)CC2)C1 ZINC000623655829 399436841 /nfs/dbraw/zinc/43/68/41/399436841.db2.gz GSVGXOFVSJLFLQ-INIZCTEOSA-N 2 0 323.525 2.735 20 0 DFADRP C[N@@H+]1CCCC[C@H](C[NH2+]C2CCN(c3ccccc3)CC2)C1 ZINC000623657219 399436882 /nfs/dbraw/zinc/43/68/82/399436882.db2.gz LNESLFHNWVVXRJ-QGZVFWFLSA-N 2 0 301.478 2.977 20 0 DFADRP C[C@@H](CC(=O)Nc1ccccc1)[NH2+]C[C@H]1CCCC[N@H+](C)C1 ZINC000623655644 399437160 /nfs/dbraw/zinc/43/71/60/399437160.db2.gz AZOAMXRMCGLOAM-JKSUJKDBSA-N 2 0 303.450 2.725 20 0 DFADRP C[C@H]1O[C@@H](C)[C@H](C)[C@H]1[NH2+]Cc1ccc(OCC[NH+](C)C)cc1 ZINC000623723961 399451574 /nfs/dbraw/zinc/45/15/74/399451574.db2.gz LYFYZMDXCQCZEA-OIPACUDHSA-N 2 0 306.450 2.529 20 0 DFADRP Cc1scc(C[N@H+]2CC[C@@H](N3CC[NH+](C(C)C)CC3)C2)c1C ZINC000602484234 399459232 /nfs/dbraw/zinc/45/92/32/399459232.db2.gz NDJQMDWUTFRGTB-GOSISDBHSA-N 2 0 321.534 2.965 20 0 DFADRP CCC[N@H+](CC)Cc1ccc(C(=O)N2CC[C@H](C[NH2+]C)C2)cc1 ZINC000269164179 207287439 /nfs/dbraw/zinc/28/74/39/207287439.db2.gz BYYYBDMQXQZLLQ-QGZVFWFLSA-N 2 0 317.477 2.600 20 0 DFADRP C[C@H](C[NH2+][C@@H]1CCOC[C@H]1[C@H]1CCC[NH2+]1)c1ccc(F)cc1 ZINC000422735510 296323656 /nfs/dbraw/zinc/32/36/56/296323656.db2.gz DZZJAKFGCCPALP-BVPBIZIASA-N 2 0 306.425 2.676 20 0 DFADRP c1ccc2c(c1)O[C@@]1(CC[NH2+]C1)C[C@@H]2[NH2+]CC1CCSCC1 ZINC000422735740 296323730 /nfs/dbraw/zinc/32/37/30/296323730.db2.gz VBRBJXRRJDCPTQ-WMZOPIPTSA-N 2 0 318.486 2.975 20 0 DFADRP c1ccc2c(c1)CCC[C@@H]2[NH2+][C@@H]1CCOC[C@H]1[C@H]1CCC[NH2+]1 ZINC000422736460 296323816 /nfs/dbraw/zinc/32/38/16/296323816.db2.gz YBRKXKLAAHMXRA-ZSYWTGECSA-N 2 0 300.446 2.811 20 0 DFADRP c1ccc2c(c1)CCC[C@@H]2[NH2+][C@@H]1CCOC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000422736456 296323902 /nfs/dbraw/zinc/32/39/02/296323902.db2.gz YBRKXKLAAHMXRA-AKHDSKFASA-N 2 0 300.446 2.811 20 0 DFADRP C[C@@H]1CC[NH2+]CC[C@H]1NC[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000422737263 296323948 /nfs/dbraw/zinc/32/39/48/296323948.db2.gz ZKLJERWRYCLRSO-QRQLOZEOSA-N 2 0 301.478 2.801 20 0 DFADRP c1ccc2c(c1)O[C@]1(CC[NH2+]C1)C[C@@H]2[NH2+]CCC1CCOCC1 ZINC000422739105 296324106 /nfs/dbraw/zinc/32/41/06/296324106.db2.gz ZWDDUSGDTJXOKR-PKOBYXMFSA-N 2 0 316.445 2.649 20 0 DFADRP c1cn(-c2cccc(C[NH2+][C@@H]3CCC[C@H]3[C@H]3CCC[NH2+]3)c2)cn1 ZINC000422742396 296324853 /nfs/dbraw/zinc/32/48/53/296324853.db2.gz GFSCSTADGDJRTN-IPMKNSEASA-N 2 0 310.445 2.883 20 0 DFADRP COc1ccccc1[C@H](CN[C@@H]1CCC[NH2+]CC1)[NH+]1CCCC1 ZINC000422748637 296325814 /nfs/dbraw/zinc/32/58/14/296325814.db2.gz VMAIWVSRSYHCTR-AEFFLSMTSA-N 2 0 317.477 2.564 20 0 DFADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]CC1(c2ccc(F)cc2)CCOCC1 ZINC000422751975 296326493 /nfs/dbraw/zinc/32/64/93/296326493.db2.gz DJUYKKUMJZPZRA-QAPCUYQASA-N 2 0 320.452 2.852 20 0 DFADRP C[C@H](Cc1cccc(Br)c1)[NH2+][C@H](C)[C@@H]1CC[NH2+]C1 ZINC000422751276 296326497 /nfs/dbraw/zinc/32/64/97/296326497.db2.gz BCTKDWITYRVULW-YRGRVCCFSA-N 2 0 311.267 2.968 20 0 DFADRP COc1cccc(N2CCC[C@@H]([NH2+]C3C[C@H]4CC[C@@H](C3)[NH2+]4)C2)c1 ZINC000422753948 296327086 /nfs/dbraw/zinc/32/70/86/296327086.db2.gz FMPWUTJYSGJJOF-LVYZTWJOSA-N 2 0 315.461 2.537 20 0 DFADRP C[C@@H]([NH2+]CC1(c2cccc(Cl)c2)CCOCC1)[C@H]1CC[NH2+]C1 ZINC000422755443 296327295 /nfs/dbraw/zinc/32/72/95/296327295.db2.gz HTFSDPBXOCELMJ-CABCVRRESA-N 2 0 322.880 2.976 20 0 DFADRP COc1ccc([C@H](C[NH2+][C@H](C)CCC[NH3+])N2CCCCC2)cc1 ZINC000422755945 296327311 /nfs/dbraw/zinc/32/73/11/296327311.db2.gz IHKOHCXSBVKJIB-APWZRJJASA-N 2 0 319.493 2.939 20 0 DFADRP Cc1cc(F)ccc1N1CCC[C@H]([NH2+][C@@H](C)[C@@H]2CC[NH2+]C2)C1 ZINC000422754938 296327356 /nfs/dbraw/zinc/32/73/56/296327356.db2.gz GJQSDQOAJLPYEV-UXLLHSPISA-N 2 0 305.441 2.691 20 0 DFADRP COc1ccc([C@@H](CN[C@H](C)[C@@H]2CCC[NH2+]2)[NH+]2CCCC2)cc1 ZINC000422760928 296328554 /nfs/dbraw/zinc/32/85/54/296328554.db2.gz QPVOQDTUGKYOIJ-AYOQOUSVSA-N 2 0 317.477 2.562 20 0 DFADRP C[C@@H]([NH2+]C1(CN[C@@H](C)C2C[NH2+]C2)CCCC1)c1ccccc1 ZINC000422762825 296328771 /nfs/dbraw/zinc/32/87/71/296328771.db2.gz MVHQRJROULZZNW-JKSUJKDBSA-N 2 0 301.478 2.848 20 0 DFADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]CCOc1ccccc1F ZINC000422762629 296328823 /nfs/dbraw/zinc/32/88/23/296328823.db2.gz SFDDXYFGUJPJDA-GFCCVEGCSA-N 2 0 303.381 2.717 20 0 DFADRP COc1ccc([C@H](C[NH2+][C@@H](C)C[C@@H](C)[NH3+])N2CCCC2)cc1 ZINC000422764197 296329195 /nfs/dbraw/zinc/32/91/95/296329195.db2.gz UWFDYSJMYDWVRX-VKJFTORMSA-N 2 0 305.466 2.548 20 0 DFADRP CC[NH+]1CCN(CCCC[NH2+][C@@H]2CCCc3scnc32)CC1 ZINC000623862010 399481910 /nfs/dbraw/zinc/48/19/10/399481910.db2.gz JADLWYOWGUHSJL-OAHLLOKOSA-N 2 0 322.522 2.528 20 0 DFADRP C[C@@H](CCC[NH3+])[NH2+][C@H]1CCOc2ccc(Br)cc21 ZINC000422769233 296330057 /nfs/dbraw/zinc/33/00/57/296330057.db2.gz VIYBSSKKJLSXCE-GWCFXTLKSA-N 2 0 313.239 2.990 20 0 DFADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]C[C@@H](CCO)c1ccccc1 ZINC000422775243 296330982 /nfs/dbraw/zinc/33/09/82/296330982.db2.gz AURSVGJZBCBZHC-WMLDXEAASA-N 2 0 313.445 2.666 20 0 DFADRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H](C)[C@H]2CCCCO2)[C@@H](C)C1 ZINC000623894936 399489370 /nfs/dbraw/zinc/48/93/70/399489370.db2.gz FXLVQHJMAWHBPO-XWTMOSNGSA-N 2 0 312.498 2.671 20 0 DFADRP C[C@H]([NH3+])[C@H]1COCC[C@H]1[NH2+]Cc1ccccc1C(F)(F)F ZINC000422778670 296331727 /nfs/dbraw/zinc/33/17/27/296331727.db2.gz HVUYRLAUIZTEFB-ZKYQVNSYSA-N 2 0 302.340 2.547 20 0 DFADRP C[C@@H]1CC[NH2+]C[C@@H]1NC[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000422781640 296332096 /nfs/dbraw/zinc/33/20/96/296332096.db2.gz LZGZOOMMWYASEP-NEWSRXKRSA-N 2 0 301.478 2.629 20 0 DFADRP CCO[C@@H]1C[C@H]([NH2+][C@H](Cc2ccccc2)[C@H](C)[NH3+])C12CCC2 ZINC000422787271 296332531 /nfs/dbraw/zinc/33/25/31/296332531.db2.gz UKZQGDFIXIEXPT-XOYOTBSWSA-N 2 0 302.462 2.882 20 0 DFADRP CC[NH+](CC)Cc1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000422785232 296332467 /nfs/dbraw/zinc/33/24/67/296332467.db2.gz MZSBDITTYIHGBQ-DFNIBXOVSA-N 3 0 301.478 2.901 20 0 DFADRP C[C@H](NCc1ccccc1C[NH+]1CCCCC1)[C@@H]1CCC[NH2+]1 ZINC000422786755 296332562 /nfs/dbraw/zinc/33/25/62/296332562.db2.gz LJOGSDARTRKAGO-LPHOPBHVSA-N 2 0 301.478 2.903 20 0 DFADRP C[C@H](C[NH2+][C@@H]1CCOC[C@@H]1[C@@H]1CCC[NH2+]1)Cc1cccs1 ZINC000422786606 296332721 /nfs/dbraw/zinc/33/27/21/296332721.db2.gz SVFAQBVHWNPXSJ-PQEBFOHHSA-N 2 0 308.491 2.673 20 0 DFADRP C[C@H]1CC[NH2+]CC[C@@H]1[NH2+]Cc1ccc(C[NH+]2CCCC2)cc1 ZINC000422786482 296332767 /nfs/dbraw/zinc/33/27/67/296332767.db2.gz OYIYAAOZUACABV-LPHOPBHVSA-N 3 0 301.478 2.760 20 0 DFADRP Cc1cccc(O[C@H](C)C[NH2+][C@@H]2CCOC[C@@H]2[C@H]2CCC[NH2+]2)c1 ZINC000422787996 296332891 /nfs/dbraw/zinc/33/28/91/296332891.db2.gz MVQNALJUNPITSM-NXWXRZEISA-N 2 0 318.461 2.509 20 0 DFADRP C[C@@H]([NH2+]CC1(c2ccccc2Br)CC1)C1C[NH2+]C1 ZINC000422788694 296333077 /nfs/dbraw/zinc/33/30/77/296333077.db2.gz SSNUPEULFFNXHV-LLVKDONJSA-N 2 0 309.251 2.678 20 0 DFADRP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+]CCCOCC1CCOCC1 ZINC000422791936 296333717 /nfs/dbraw/zinc/33/37/17/296333717.db2.gz WPAZGGHBLMOOMO-SJLPKXTDSA-N 2 0 312.498 2.720 20 0 DFADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]CCCOCC1CCOCC1 ZINC000422791934 296333798 /nfs/dbraw/zinc/33/37/98/296333798.db2.gz WPAZGGHBLMOOMO-AEFFLSMTSA-N 2 0 312.498 2.720 20 0 DFADRP C[C@H]([NH2+]Cc1ccc(C[NH+]2CCCCC2)cc1)[C@H]1CC[NH2+]C1 ZINC000422796622 296334486 /nfs/dbraw/zinc/33/44/86/296334486.db2.gz YRZAZRKFYCEOHK-LPHOPBHVSA-N 3 0 301.478 2.760 20 0 DFADRP O=C(C[NH2+]CC1CC1)Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC000269247786 207381948 /nfs/dbraw/zinc/38/19/48/207381948.db2.gz MYONNVKQLQCRDO-UHFFFAOYSA-N 2 0 315.461 2.653 20 0 DFADRP CC[NH+](CC)[C@@H](CN[C@@H]1CCC[NH2+]CC1)c1cccc(OC)c1 ZINC000422794834 296334080 /nfs/dbraw/zinc/33/40/80/296334080.db2.gz GYVQVPZKBZWIDT-MJGOQNOKSA-N 2 0 319.493 2.810 20 0 DFADRP C[C@@H](NCc1ccc(C[NH+]2CCCC2)cc1)[C@@H]1CCCC[NH2+]1 ZINC000422795098 296334203 /nfs/dbraw/zinc/33/42/03/296334203.db2.gz ZSZWGUDAJGRHIW-APWZRJJASA-N 2 0 301.478 2.903 20 0 DFADRP CC(C)[C@@H]([NH3+])C(=O)NCc1ccc(C[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000269249290 207384938 /nfs/dbraw/zinc/38/49/38/207384938.db2.gz XIDRIGNKGBXTGQ-MAUKXSAKSA-N 2 0 317.477 2.661 20 0 DFADRP CCCC[N@H+](CC)Cc1cccc(CNC(=O)[C@H]([NH3+])C(C)C)c1 ZINC000269253085 207391665 /nfs/dbraw/zinc/39/16/65/207391665.db2.gz IAZHTVNOFWRFOJ-GOSISDBHSA-N 2 0 319.493 2.908 20 0 DFADRP CC[C@@H](C[NH2+][C@@H]1CCC[NH2+]CC1)N1CCc2ccccc2C1 ZINC000422805818 296336412 /nfs/dbraw/zinc/33/64/12/296336412.db2.gz JQUSAWRZWHSDMF-MOPGFXCFSA-N 2 0 301.478 2.555 20 0 DFADRP [NH3+]C[C@H]1CCCC[C@H]1[NH2+]CCc1nc(C(F)(F)F)cs1 ZINC000422801916 296335652 /nfs/dbraw/zinc/33/56/52/296335652.db2.gz COSYQMMXOFYKDR-NXEZZACHSA-N 2 0 307.385 2.812 20 0 DFADRP COC[C@H](CCC[NH3+])[NH2+]C[C@H]1CCCO[C@H]1c1ccc(C)cc1 ZINC000422802509 296335786 /nfs/dbraw/zinc/33/57/86/296335786.db2.gz DKFVTQIZTFKYRI-QYZOEREBSA-N 2 0 320.477 2.806 20 0 DFADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+][C@H]1CCCC[C@@H]1n1cccn1 ZINC000422809390 296336941 /nfs/dbraw/zinc/33/69/41/296336941.db2.gz MFHOCZSVCRXOAZ-WBAXXEDZSA-N 2 0 313.449 2.880 20 0 DFADRP CCOC(=O)C1([C@H](C)[NH2+][C@@H]2CCCC[C@H]2CC)CC[NH2+]CC1 ZINC000422808722 296337030 /nfs/dbraw/zinc/33/70/30/296337030.db2.gz LJGOXGQFSQMSPK-ARFHVFGLSA-N 2 0 310.482 2.866 20 0 DFADRP CC(=O)Nc1ccc(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)cc1 ZINC000422807410 296336662 /nfs/dbraw/zinc/33/66/62/296336662.db2.gz OUPNCZDAMVFCSU-KZNAEPCWSA-N 2 0 301.434 2.655 20 0 DFADRP CC[C@@H](NCCC[N@@H+]1CCc2ccccc2C1)[C@H]1CCCC[NH2+]1 ZINC000422807022 296336701 /nfs/dbraw/zinc/33/67/01/296336701.db2.gz LOXRJYYPRCDPFI-WOJBJXKFSA-N 2 0 315.505 2.945 20 0 DFADRP CC1CC[NH+](Cc2ccc(CN[C@@H]3CCC[C@@H]3[NH3+])cc2)CC1 ZINC000422810946 296337357 /nfs/dbraw/zinc/33/73/57/296337357.db2.gz VAAXREKSGHJIHR-RBUKOAKNSA-N 2 0 301.478 2.888 20 0 DFADRP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1[NH2+]C[C@@H]1CCCC[C@H]1C(F)(F)F ZINC000422818842 296338943 /nfs/dbraw/zinc/33/89/43/296338943.db2.gz LQROWGMJTVSDAJ-YHQUGGNUSA-N 2 0 308.388 2.697 20 0 DFADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]CC(C)(C)c1ccc2c(c1)OCO2 ZINC000422819885 296339012 /nfs/dbraw/zinc/33/90/12/296339012.db2.gz JFYMESKPERIKQT-HIFRSBDPSA-N 2 0 304.434 2.671 20 0 DFADRP FC(F)(F)C1CCC([NH2+][C@@H]2CCOC[C@H]2[C@@H]2CCC[NH2+]2)CC1 ZINC000422821391 296339275 /nfs/dbraw/zinc/33/92/75/296339275.db2.gz VXCHVAFKVBHSPC-QXRZNBQRSA-N 2 0 320.399 2.854 20 0 DFADRP c1c(CC[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)nc2ccccn12 ZINC000422815817 296338358 /nfs/dbraw/zinc/33/83/58/296338358.db2.gz CNNWRQAYQFVDTR-FGTMMUONSA-N 2 0 312.461 2.777 20 0 DFADRP c1cn(Cc2cccc(C[NH2+][C@@H]3CCC[C@H]3[C@H]3CCC[NH2+]3)c2)cn1 ZINC000422824732 296339703 /nfs/dbraw/zinc/33/97/03/296339703.db2.gz HYVSVFVWKMAPHU-XUVXKRRUSA-N 2 0 324.472 2.942 20 0 DFADRP C[C@@H]([NH3+])C1CC[NH+](Cc2ccc(OC(F)F)c(F)c2)CC1 ZINC000346996988 284998127 /nfs/dbraw/zinc/99/81/27/284998127.db2.gz BXKQZDBCKVWMOS-SNVBAGLBSA-N 2 0 302.340 2.986 20 0 DFADRP C[C@H]([NH2+]Cc1cccc(C[NH+]2CCCCCC2)c1)C1C[NH2+]C1 ZINC000422825104 296340137 /nfs/dbraw/zinc/34/01/37/296340137.db2.gz IXOFWHGXBTXFOI-INIZCTEOSA-N 3 0 301.478 2.760 20 0 DFADRP CN(C(=O)C[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1)C1CCCCC1 ZINC000422830256 296341182 /nfs/dbraw/zinc/34/11/82/296341182.db2.gz VQBKXJWMNHMWJR-OKZBNKHCSA-N 2 0 321.509 2.678 20 0 DFADRP COc1cc(C[NH2+][C@@H](C)C[C@@H](C)[NH3+])ccc1OCC(F)(F)F ZINC000422831421 296341255 /nfs/dbraw/zinc/34/12/55/296341255.db2.gz STHHQGQSPFKFFP-MNOVXSKESA-N 2 0 320.355 2.852 20 0 DFADRP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)N(CC[NH+](C)C)C1CCCCC1 ZINC000347012201 285002180 /nfs/dbraw/zinc/00/21/80/285002180.db2.gz VDCQQWIBIPPGKP-IYBDPMFKSA-N 2 0 309.498 2.582 20 0 DFADRP CC(C)(C[NH2+]C1CCC(C[NH3+])CC1)c1ccc2c(c1)OCCO2 ZINC000422826887 296340315 /nfs/dbraw/zinc/34/03/15/296340315.db2.gz RKHQPZSLQDZUQA-UHFFFAOYSA-N 2 0 318.461 2.843 20 0 DFADRP C[C@H](N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C)[C@H]1CCC[NH2+]1 ZINC000422828395 296340392 /nfs/dbraw/zinc/34/03/92/296340392.db2.gz APYVSWHYAPMFDO-UKBAYJJMSA-N 2 0 301.478 2.627 20 0 DFADRP C[C@H](CCC[NH3+])[NH2+]Cc1nccn1CCCc1ccccc1 ZINC000422826770 296340439 /nfs/dbraw/zinc/34/04/39/296340439.db2.gz CMNFPJKUXNXUGK-MRXNPFEDSA-N 2 0 300.450 2.733 20 0 DFADRP COc1ccccc1N1CCC([NH2+][C@@H]2CC[NH2+]CC[C@@H]2C)CC1 ZINC000422839647 296342283 /nfs/dbraw/zinc/34/22/83/296342283.db2.gz RCKLAPBYBLSZMC-DOTOQJQBSA-N 2 0 317.477 2.642 20 0 DFADRP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+]CCc1cn2c(n1)CCCC2 ZINC000422839065 296342454 /nfs/dbraw/zinc/34/24/54/296342454.db2.gz YZABZBGKEXZFMQ-HZPDHXFCSA-N 2 0 304.482 2.662 20 0 DFADRP Cc1ccc([C@H](CN[C@H]2CCC[C@@H]2C[NH3+])[NH+]2CCCC2)cc1 ZINC000422833772 296341834 /nfs/dbraw/zinc/34/18/34/296341834.db2.gz WNZQQVZVJJYQJG-QYZOEREBSA-N 2 0 301.478 2.849 20 0 DFADRP [NH3+]C[C@H]1CCC[C@H]1[NH2+]Cc1ccc(NC(=O)c2cccnc2)cc1 ZINC000422843449 296343404 /nfs/dbraw/zinc/34/34/04/296343404.db2.gz IILUZTJZTHBGEZ-CRAIPNDOSA-N 2 0 324.428 2.551 20 0 DFADRP C[C@H](N[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)[C@H]1CCC[NH2+]1 ZINC000422841318 296342631 /nfs/dbraw/zinc/34/26/31/296342631.db2.gz VSEHOTSKVPOMNP-KCITZHQASA-N 2 0 301.478 2.770 20 0 DFADRP CCOc1c(OC)cc(C[NH2+][C@H]2CC[NH2+]CC[C@H]2C)cc1OC ZINC000422839993 296342763 /nfs/dbraw/zinc/34/27/63/296342763.db2.gz RUISKVIPNGGXBZ-HIFRSBDPSA-N 2 0 322.449 2.580 20 0 DFADRP COc1cc(C[NH+]2CCC([C@@H](C)[NH3+])CC2)cc(Cl)c1OC ZINC000347018998 285006277 /nfs/dbraw/zinc/00/62/77/285006277.db2.gz LOTLLNGIAHFGGE-LLVKDONJSA-N 2 0 312.841 2.916 20 0 DFADRP COc1ccccc1N1CCC([NH2+][C@@H](C)CCCC[NH3+])CC1 ZINC000422842700 296343136 /nfs/dbraw/zinc/34/31/36/296343136.db2.gz YZJSLJXBXYIYHL-HNNXBMFYSA-N 2 0 305.466 2.771 20 0 DFADRP CC(C)(C[NH2+][C@@H]1CCOC[C@H]1[C@H]1CCC[NH2+]1)c1ccccc1F ZINC000422846290 296343890 /nfs/dbraw/zinc/34/38/90/296343890.db2.gz FJKDSWVNEAXUCH-BMGDILEWSA-N 2 0 320.452 2.850 20 0 DFADRP C1CCC([N@@H+]2CC[C@@H](N[C@H]3CCC[C@H]3[C@H]3CCCC[NH2+]3)C2)C1 ZINC000422855924 296345594 /nfs/dbraw/zinc/34/55/94/296345594.db2.gz DHPAROQDZIMKEZ-LULLPPNCSA-N 2 0 305.510 2.904 20 0 DFADRP CO[C@@H]1C[C@H]([NH2+][C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)C1(C)C ZINC000422849344 296344735 /nfs/dbraw/zinc/34/47/35/296344735.db2.gz LPKWRZNKFVYHCU-RMRDIRSESA-N 2 0 316.445 2.645 20 0 DFADRP CC[C@H]([NH2+]C1CCN(c2ccccn2)CC1)[C@H]1CCCC[NH2+]1 ZINC000422860839 296346451 /nfs/dbraw/zinc/34/64/51/296346451.db2.gz LWUHWVUEHXBRMQ-DLBZAZTESA-N 2 0 302.466 2.561 20 0 DFADRP CC[C@H]([NH2+]C1CCN(c2ccccn2)CC1)[C@@H]1CCCC[NH2+]1 ZINC000422860841 296346583 /nfs/dbraw/zinc/34/65/83/296346583.db2.gz LWUHWVUEHXBRMQ-IRXDYDNUSA-N 2 0 302.466 2.561 20 0 DFADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]C[C@H](C)N1CCCC[C@H]1C ZINC000422863411 296346730 /nfs/dbraw/zinc/34/67/30/296346730.db2.gz OYWPOHRBZRQUFD-ILXRZTDVSA-N 2 0 304.482 2.762 20 0 DFADRP COc1cc2[nH]c(CCC[NH2+][C@@H](C)C[C@H](C)[NH3+])cc2c(OC)c1 ZINC000422866778 296346963 /nfs/dbraw/zinc/34/69/63/296346963.db2.gz RBNYMFHVSQXQHE-STQMWFEESA-N 2 0 319.449 2.833 20 0 DFADRP c1cn(-c2ccccc2)nc1CC[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000422857598 296345829 /nfs/dbraw/zinc/34/58/29/296345829.db2.gz HBQFJBSWUTVFKI-XUVXKRRUSA-N 2 0 324.472 2.925 20 0 DFADRP CCOCCOCc1cccc(C[NH2+][C@@H]2CCCC[C@H]2C[NH3+])c1 ZINC000422860254 296346152 /nfs/dbraw/zinc/34/61/52/296346152.db2.gz LFABNLUXQLCLBN-RBUKOAKNSA-N 2 0 320.477 2.847 20 0 DFADRP CCOC(=O)C1([C@H](C)[NH2+][C@@H]2CCCCC2(C)C)CC[NH2+]CC1 ZINC000422871916 296347893 /nfs/dbraw/zinc/34/78/93/296347893.db2.gz DWCCJSMXFQVVTA-LSDHHAIUSA-N 2 0 310.482 2.866 20 0 DFADRP OCC[NH2+]C1CC[NH+](CCCc2cccc3ccccc32)CC1 ZINC000631863735 399511697 /nfs/dbraw/zinc/51/16/97/399511697.db2.gz CAMWZJZMMOFUSD-UHFFFAOYSA-N 2 0 312.457 2.819 20 0 DFADRP Cc1ccc(C[NH2+][C@H](C)CCCC[NH3+])c(O[C@H]2CCOC2)c1 ZINC000422872139 296348052 /nfs/dbraw/zinc/34/80/52/296348052.db2.gz FWGMCQRROHEDCN-WBVHZDCISA-N 2 0 306.450 2.770 20 0 DFADRP COc1cc([C@@H](C)[NH2+]C2CCC(C[NH3+])CC2)cc(OC)c1OC ZINC000422878606 296349091 /nfs/dbraw/zinc/34/90/91/296349091.db2.gz JJGLYTDKHVGQFV-DNOWBOINSA-N 2 0 322.449 2.881 20 0 DFADRP CCOc1cccc(C[NH2+][C@H]2CCC[C@H]2C[NH3+])c1OC(F)F ZINC000422874182 296348507 /nfs/dbraw/zinc/34/85/07/296348507.db2.gz NFXZZOGMHSHZOS-AAEUAGOBSA-N 2 0 314.376 2.904 20 0 DFADRP C[C@H]([NH3+])[C@H](Cc1ccccc1)NCC[NH+]1[C@H](C)CCC[C@H]1C ZINC000422883131 296350206 /nfs/dbraw/zinc/35/02/06/296350206.db2.gz BQTDQQDTRLNGIA-VXNCWWDNSA-N 2 0 303.494 2.797 20 0 DFADRP COc1ccc(CC[NH2+][C@H](C)C[C@@H](C)[NH3+])cc1OC(F)F ZINC000422879833 296349479 /nfs/dbraw/zinc/34/94/79/296349479.db2.gz MVDVJELSODFMHQ-GHMZBOCLSA-N 2 0 302.365 2.555 20 0 DFADRP Cc1ccc(C[NH2+][C@@H]2CCC[C@@H]2C[NH3+])c(OC[C@@H]2CCCO2)c1 ZINC000422881583 296349839 /nfs/dbraw/zinc/34/98/39/296349839.db2.gz ZALXUWNYVQKYOD-BPQIPLTHSA-N 2 0 318.461 2.770 20 0 DFADRP COc1ccc(C[NH2+][C@@H](C)[C@@H]2CC[NH2+]C2)cc1Br ZINC000422885627 296350642 /nfs/dbraw/zinc/35/06/42/296350642.db2.gz YZZFEEGRKJFXEG-CMPLNLGQSA-N 2 0 313.239 2.545 20 0 DFADRP COc1cccc(N2CC[C@H](C[NH2+][C@H](C)[C@H]3CCCC[NH2+]3)C2)c1 ZINC000422899831 296352686 /nfs/dbraw/zinc/35/26/86/296352686.db2.gz IGZQBYHTSXWDIU-GPMSIDNRSA-N 2 0 317.477 2.642 20 0 DFADRP C[C@H]1CC[NH2+]CC[C@@H]1[NH2+]Cc1ccnc(N2CCCCC2)c1 ZINC000422899711 296352876 /nfs/dbraw/zinc/35/28/76/296352876.db2.gz OYKSXHVSIOSCCM-RDJZCZTQSA-N 2 0 302.466 2.550 20 0 DFADRP CC[C@@H](C)NC(=O)c1cccc(C[NH2+][C@H](C)CCCC[NH3+])c1 ZINC000422892497 296351818 /nfs/dbraw/zinc/35/18/18/296351818.db2.gz NCHNJGSWOHCSAV-HUUCEWRRSA-N 2 0 305.466 2.822 20 0 DFADRP COc1ccc(OCCC[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)cc1 ZINC000422894747 296351874 /nfs/dbraw/zinc/35/18/74/296351874.db2.gz DCWJBMGMLUENIB-QRVBRYPASA-N 2 0 318.461 2.974 20 0 DFADRP CC[C@H](C(=O)N(C)CC[C@H]([NH3+])C(C)C)[N@H+](C)Cc1ccccc1 ZINC000422896446 296352183 /nfs/dbraw/zinc/35/21/83/296352183.db2.gz IHHCMPWKGNDBHF-ZWKOTPCHSA-N 2 0 319.493 2.729 20 0 DFADRP CC[NH+](CC)CCOc1ccc(C[NH2+][C@@H]2CCC[C@H]2C[NH3+])cc1 ZINC000422895640 296352210 /nfs/dbraw/zinc/35/22/10/296352210.db2.gz WLPBVQZQQAUUFV-PKOBYXMFSA-N 3 0 319.493 2.624 20 0 DFADRP C[C@H](C[C@@H]1CCCO1)[NH2+][C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422898567 296352508 /nfs/dbraw/zinc/35/25/08/296352508.db2.gz FKTGBONYKWJFFB-GFIVTLFCSA-N 2 0 316.445 2.790 20 0 DFADRP Cc1ccccc1CN1CCC([NH2+][C@@H]2CC[NH2+]CC[C@@H]2C)CC1 ZINC000422897730 296352533 /nfs/dbraw/zinc/35/25/33/296352533.db2.gz KHGZVVDOSZTQCD-FXAWDEMLSA-N 2 0 315.505 2.937 20 0 DFADRP COc1ccc(Cl)cc1N1CC[C@@H]([NH2+][C@H](C)CCC[NH3+])C1 ZINC000422906504 296354187 /nfs/dbraw/zinc/35/41/87/296354187.db2.gz JZSQAZXCEBYTLV-TZMCWYRMSA-N 2 0 311.857 2.644 20 0 DFADRP Fc1cccc(F)c1CN1CCC[C@@H]([NH2+][C@@H]2CCC[NH2+]CC2)C1 ZINC000422906521 296354279 /nfs/dbraw/zinc/35/42/79/296354279.db2.gz KBIWJFYWRNJNLR-HUUCEWRRSA-N 2 0 323.431 2.661 20 0 DFADRP C[C@H]([NH3+])C[C@H](C)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000422907232 296354379 /nfs/dbraw/zinc/35/43/79/296354379.db2.gz LDWZEEDNRYDQNW-KDEOWCQBSA-N 2 0 301.478 2.897 20 0 DFADRP COc1ccc(Cl)cc1N1CC[C@H]([NH2+][C@H]2CCC[C@@H]2C[NH3+])C1 ZINC000422909705 296354636 /nfs/dbraw/zinc/35/46/36/296354636.db2.gz OUIYMDYOHIZJQA-SNPRPXQTSA-N 2 0 323.868 2.644 20 0 DFADRP CC[N@@H+]1CC[C@H]([NH2+][C@@H]2CCN(c3ncccc3Cl)C2)[C@H](C)C1 ZINC000119950080 195068562 /nfs/dbraw/zinc/06/85/62/195068562.db2.gz HDJSGZZQANSSOY-FMKPAKJESA-N 2 0 322.884 2.634 20 0 DFADRP CCc1nc(CN2CCC(C[NH2+][C@@H](C)C[C@H](C)[NH3+])CC2)cs1 ZINC000422913837 296355297 /nfs/dbraw/zinc/35/52/97/296355297.db2.gz QWFYKMOLECUIHZ-KBPBESRZSA-N 2 0 324.538 2.633 20 0 DFADRP C[C@@H]([NH2+]Cc1cc(Cl)c2c(c1)OCCCO2)[C@H]1CC[NH2+]C1 ZINC000422926124 296356049 /nfs/dbraw/zinc/35/60/49/296356049.db2.gz CLCWWQQDNWTZGZ-YPMHNXCESA-N 2 0 310.825 2.589 20 0 DFADRP C[C@@H](Nc1cccc(OCC[NH+](C)C)c1)c1c[nH+]ccc1N ZINC000422912796 296354883 /nfs/dbraw/zinc/35/48/83/296354883.db2.gz OBBHYEVNQZKRMG-CYBMUJFWSA-N 2 0 300.406 2.608 20 0 DFADRP [NH3+]C1CCC([NH2+]Cc2ccc(C(=O)N3CCCCC3)cc2)CC1 ZINC000422929053 296356557 /nfs/dbraw/zinc/35/65/57/296356557.db2.gz OBKYSCUTPDFCAT-UHFFFAOYSA-N 2 0 315.461 2.672 20 0 DFADRP CC[C@H]([NH2+]CCc1cc(Cl)c2c(c1)OCCO2)[C@@H]1CCC[NH2+]1 ZINC000422930429 296356967 /nfs/dbraw/zinc/35/69/67/296356967.db2.gz UIFYQTYNKHPPGN-GJZGRUSLSA-N 2 0 324.852 2.774 20 0 DFADRP C[C@H]([NH3+])[C@H]1COCC[C@@H]1[NH2+]CCC12CC3CC(CC(C3)C1)C2 ZINC000422928985 296356336 /nfs/dbraw/zinc/35/63/36/296356336.db2.gz NSSMWKOMKBVRFP-PFOQCDBSSA-N 2 0 306.494 2.935 20 0 DFADRP CC(C)c1noc(CCC[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)n1 ZINC000422938090 296357991 /nfs/dbraw/zinc/35/79/91/296357991.db2.gz PHSDJCODTIENNO-RRFJBIMHSA-N 2 0 306.454 2.636 20 0 DFADRP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccc2c(c1)OCCCO2 ZINC000422936511 296358049 /nfs/dbraw/zinc/35/80/49/296358049.db2.gz IKVJWALGBILPPW-NTQSIJHJSA-N 2 0 302.418 2.782 20 0 DFADRP C[C@H]([NH3+])[C@@H]1COCC[C@H]1[NH2+]CCc1csc2ccccc12 ZINC000422943332 296358566 /nfs/dbraw/zinc/35/85/66/296358566.db2.gz YBTHRMAKCYSAQB-VBNZEHGJSA-N 2 0 304.459 2.786 20 0 DFADRP CC(C)[C@H](C[NH2+]C1CCC([NH3+])CC1)N1CCc2ccccc2C1 ZINC000422934875 296357632 /nfs/dbraw/zinc/35/76/32/296357632.db2.gz GODXPFDZSYBBTA-MHJFOBGBSA-N 2 0 315.505 2.929 20 0 DFADRP CC(C)[C@H](CN[C@H]1CCC[C@H]1[NH3+])[N@@H+]1CCc2ccccc2C1 ZINC000422937662 296357868 /nfs/dbraw/zinc/35/78/68/296357868.db2.gz JQDSGKOALUKEBI-QYZOEREBSA-N 2 0 301.478 2.539 20 0 DFADRP O=C(CCC[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)Nc1ccc(Cl)cc1 ZINC000422944517 296359153 /nfs/dbraw/zinc/35/91/53/296359153.db2.gz MKCNSGSCJMWPSK-XYPWUTKMSA-N 2 0 321.852 2.931 20 0 DFADRP Clc1ccc(CC[NH2+][C@@H]2CCOC[C@H]2[C@H]2CCC[NH2+]2)s1 ZINC000422946996 296359428 /nfs/dbraw/zinc/35/94/28/296359428.db2.gz XPFSDGNKQKDPNB-BFHYXJOUSA-N 2 0 314.882 2.691 20 0 DFADRP C[C@@H]([NH3+])C[C@H](C)[NH2+]CCOc1ccc(Br)cc1 ZINC000422948228 296359799 /nfs/dbraw/zinc/35/97/99/296359799.db2.gz RNNSVSKBMAPJOD-MNOVXSKESA-N 2 0 301.228 2.543 20 0 DFADRP CC[C@H](C)C(=O)Nc1cccc(C[NH2+][C@H]2CCC[C@@H]2C[NH3+])c1 ZINC000422951596 296359925 /nfs/dbraw/zinc/35/99/25/296359925.db2.gz ZFMNTCDOHQPPSN-LXZKKBNFSA-N 2 0 303.450 2.888 20 0 DFADRP [NH3+]C[C@H]1CCC[C@@H]1[NH2+]CCc1coc(-c2ccc(F)cc2)n1 ZINC000422951488 296359959 /nfs/dbraw/zinc/35/99/59/296359959.db2.gz YTEYEXMBOCHSFN-CJNGLKHVSA-N 2 0 303.381 2.740 20 0 DFADRP C[C@@H](Nc1cccc(C[NH+]2C[C@@H](C)O[C@H](C)C2)c1)[C@@H]1CC[NH2+]C1 ZINC000422956294 296360735 /nfs/dbraw/zinc/36/07/35/296360735.db2.gz PDAMFQHKXJSZNW-YFHUEUNASA-N 2 0 317.477 2.706 20 0 DFADRP C[C@@H](CCCC[NH3+])[NH2+][C@H]1CCN(c2ccccc2Cl)C1=O ZINC000422956062 296360774 /nfs/dbraw/zinc/36/07/74/296360774.db2.gz KKGIYUAJIKVHMO-JSGCOSHPSA-N 2 0 309.841 2.552 20 0 DFADRP [NH3+][C@@H]1CCC[C@H]1[NH2+]CCCc1nc(-c2ccncc2)cs1 ZINC000422958223 296360929 /nfs/dbraw/zinc/36/09/29/296360929.db2.gz XCXXCTOGWWUGHT-ZIAGYGMSSA-N 2 0 302.447 2.607 20 0 DFADRP CCOC(=O)[C@@H](CC(C)C)[N@@H+]1CCC[C@@H](n2ccnc2C)C1 ZINC000611782767 399524892 /nfs/dbraw/zinc/52/48/92/399524892.db2.gz AVMBUCJYVZCYLS-HZPDHXFCSA-N 2 0 307.438 2.806 20 0 DFADRP CC[C@H](C)C(=O)Nc1cccc(C[NH2+][C@@H]2CCC[NH2+]CC2)c1 ZINC000422951568 296360029 /nfs/dbraw/zinc/36/00/29/296360029.db2.gz ZAYNVZPUIUNRBU-GOEBONIOSA-N 2 0 303.450 2.903 20 0 DFADRP CC[C@H]([NH2+]CCCN(C(=O)C1CCC1)C1CC1)[C@H]1CCCC[NH2+]1 ZINC000422954194 296360295 /nfs/dbraw/zinc/36/02/95/296360295.db2.gz HFODINYLCUMVEG-ZWKOTPCHSA-N 2 0 321.509 2.678 20 0 DFADRP CCN(CC)C(=O)CCC[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1 ZINC000422954382 296360341 /nfs/dbraw/zinc/36/03/41/296360341.db2.gz HLSLRGQHYOICMO-YESZJQIVSA-N 2 0 309.498 2.535 20 0 DFADRP CCc1noc(-c2ccc(CC[NH2+][C@@H](C)C[C@@H](C)[NH3+])cc2)n1 ZINC000422960532 296361333 /nfs/dbraw/zinc/36/13/33/296361333.db2.gz WUNILGXVGJLMQR-OLZOCXBDSA-N 2 0 302.422 2.557 20 0 DFADRP c1cn2c(n1)[C@H](C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1)CCC2 ZINC000422963687 296361773 /nfs/dbraw/zinc/36/17/73/296361773.db2.gz GKHZFKZWEXXBFZ-VVLHAWIVSA-N 2 0 302.466 2.661 20 0 DFADRP COc1ccc([C@H](NCCC[N@H+](C)C(C)C)[C@@H]2CCC[NH2+]2)cc1 ZINC000422968545 296362755 /nfs/dbraw/zinc/36/27/55/296362755.db2.gz WXNYVVQBOSNZKW-OALUTQOASA-N 2 0 319.493 2.808 20 0 DFADRP CC1CC[NH+](C2CCC([NH2+]C3C[C@H]4CC[C@@H](C3)[NH2+]4)CC2)CC1 ZINC000422971005 296363036 /nfs/dbraw/zinc/36/30/36/296363036.db2.gz XPYHOEKYIVIHSW-IWTAKMAVSA-N 3 0 305.510 2.902 20 0 DFADRP Cc1nn(-c2ccccc2)cc1CCC[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000422965245 296362304 /nfs/dbraw/zinc/36/23/04/296362304.db2.gz OCRFWARJLPUMCW-GOSISDBHSA-N 2 0 312.461 2.845 20 0 DFADRP CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1c1nc2ccccc2n2cncc12 ZINC000624024172 399527437 /nfs/dbraw/zinc/52/74/37/399527437.db2.gz ZXUDYDIOXKRHMQ-CABCVRRESA-N 2 0 321.428 2.946 20 0 DFADRP Cc1nc(C[NH3+])ccc1[C@H](C)NC[C@@H](C(C)C)[NH+]1CCCC1 ZINC000422969003 296362623 /nfs/dbraw/zinc/36/26/23/296362623.db2.gz YKLYIYCBPLHJAZ-KSSFIOAISA-N 2 0 304.482 2.620 20 0 DFADRP c1ccc(N2CC[C@H]([NH2+][C@@H]3CCC[C@@H]3[C@@H]3CCCC[NH2+]3)C2)nc1 ZINC000422968861 296362644 /nfs/dbraw/zinc/36/26/44/296362644.db2.gz SHBWPQRHYUGLEM-XWTMOSNGSA-N 2 0 314.477 2.561 20 0 DFADRP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]CCC[C@@H]1CCCC[C@@H]1O ZINC000422987332 296364211 /nfs/dbraw/zinc/36/42/11/296364211.db2.gz FVOCLUOSLKLYFI-WNHJNPCNSA-N 2 0 304.478 2.866 20 0 DFADRP CCOC(=O)C1([C@@H](C)[NH2+]C/C=C\c2ccccc2)CC[NH2+]CC1 ZINC000422979669 296363693 /nfs/dbraw/zinc/36/36/93/296363693.db2.gz NGXUYTSIVPDTNR-BSDKJSHOSA-N 2 0 316.445 2.611 20 0 DFADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+][C@@H](CCO)C1CCCCC1 ZINC000422990091 296364465 /nfs/dbraw/zinc/36/44/65/296364465.db2.gz BMLKPEZSLQPZKW-KSSFIOAISA-N 2 0 305.466 2.831 20 0 DFADRP CCOc1cc(Cl)ccc1C[NH2+][C@@H]1CCOC[C@H]1[C@H](C)[NH3+] ZINC000422997167 296365080 /nfs/dbraw/zinc/36/50/80/296365080.db2.gz ARQPCUNACIYVMI-TUKIKUTGSA-N 2 0 312.841 2.581 20 0 DFADRP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]CCOc1ccc(C(F)(F)F)cn1 ZINC000422989397 296364661 /nfs/dbraw/zinc/36/46/61/296364661.db2.gz LKJCMEXLEZSQJQ-WCQYABFASA-N 2 0 317.355 2.586 20 0 DFADRP C[C@@H](CCCC[NH3+])[NH2+][C@@H](CO)c1cccc(Br)c1 ZINC000422990692 296364695 /nfs/dbraw/zinc/36/46/95/296364695.db2.gz OJHYIQVJIMPFGS-FZMZJTMJSA-N 2 0 315.255 2.590 20 0 DFADRP c1ccc(CCC[NH2+][C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)nc1 ZINC000422992238 296364760 /nfs/dbraw/zinc/36/47/60/296364760.db2.gz CIQKIHKDSZQPJI-UYAOXDASSA-N 2 0 323.440 2.860 20 0 DFADRP [NH3+]CC1CCC([NH2+]CCOc2ncccc2C(F)(F)F)CC1 ZINC000422995191 296364762 /nfs/dbraw/zinc/36/47/62/296364762.db2.gz JMWUTYHOTBODBN-UHFFFAOYSA-N 2 0 317.355 2.586 20 0 DFADRP C[C@H](C[C@H](C)[NH3+])[NH2+]C[C@H](CO)Cc1ccccc1C(F)(F)F ZINC000422994774 296364765 /nfs/dbraw/zinc/36/47/65/296364765.db2.gz WDVPZWBODWCLCO-YNEHKIRRSA-N 2 0 318.383 2.572 20 0 DFADRP CC[NH+](CC)Cc1ccc(C[NH2+]Cc2cnn(C)c2C)cc1 ZINC000270192275 208257324 /nfs/dbraw/zinc/25/73/24/208257324.db2.gz HUHKQRXVRPRKNE-UHFFFAOYSA-N 2 0 300.450 2.860 20 0 DFADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+][C@@H](C)[C@@H](O)Cc1ccccc1 ZINC000422996701 296365345 /nfs/dbraw/zinc/36/53/45/296365345.db2.gz MVTAKJORLJHNPC-NEPXVJNWSA-N 2 0 304.478 2.879 20 0 DFADRP Cc1cn2c(n1)[C@H](C[NH2+][C@H](Cc1ccccc1)[C@H](C)[NH3+])CCC2 ZINC000423005530 296366371 /nfs/dbraw/zinc/36/63/71/296366371.db2.gz MLMICPHZGXITIJ-RYQLBKOJSA-N 2 0 312.461 2.617 20 0 DFADRP Cc1ccc([C@H](Cn2ccnc2)[NH2+][C@@H](C)C[C@@H](C)[NH3+])c(C)c1 ZINC000423007883 296366622 /nfs/dbraw/zinc/36/66/22/296366622.db2.gz YXUBPJFZCJDODJ-RYRKJORJSA-N 2 0 300.450 2.957 20 0 DFADRP c1ccc2c(c1)CC(CC[NH2+][C@@H]1CCOC[C@H]1[C@H]1CCC[NH2+]1)C2 ZINC000423013848 296367769 /nfs/dbraw/zinc/36/77/69/296367769.db2.gz NMQXUMXNVUPLMZ-XUVXKRRUSA-N 2 0 314.473 2.538 20 0 DFADRP C[C@H](Cc1cc(Br)ccc1F)[NH2+]C1CC[NH2+]CC1 ZINC000423017730 296367977 /nfs/dbraw/zinc/36/79/77/296367977.db2.gz WXIZWWDDIVMUTN-SNVBAGLBSA-N 2 0 315.230 2.861 20 0 DFADRP Cc1nn(C)c(C)c1CCC[NH2+][C@@H](Cc1ccccc1)[C@@H](C)[NH3+] ZINC000423010958 296367354 /nfs/dbraw/zinc/36/73/54/296367354.db2.gz AKRKMNPJHZDMGP-KUHUBIRLSA-N 2 0 314.477 2.518 20 0 DFADRP COC[C@H](CCC[NH3+])[NH2+][C@@H]1CCO[C@@H]1c1ccc(Cl)cc1 ZINC000423012476 296367362 /nfs/dbraw/zinc/36/73/62/296367362.db2.gz DEBNXJJZEGFTKX-ARFHVFGLSA-N 2 0 312.841 2.514 20 0 DFADRP Cc1cnccc1CC[NH2+][C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423012610 296367498 /nfs/dbraw/zinc/36/74/98/296367498.db2.gz LELIPBLCZIBWOV-AZUAARDMSA-N 2 0 323.440 2.778 20 0 DFADRP Fc1cc(N2CC[C@@H]([NH2+][C@@H]3CCC[NH2+]CC3)C2)ccc1Cl ZINC000423025625 296369094 /nfs/dbraw/zinc/36/90/94/296369094.db2.gz ORQODEPIGXPHHT-CHWSQXEVSA-N 2 0 311.832 2.790 20 0 DFADRP COCCC(C)(C)C[NH2+][C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423035360 296370291 /nfs/dbraw/zinc/37/02/91/296370291.db2.gz JFXDCAAOJUQTJD-VQIMIIECSA-N 2 0 318.461 2.895 20 0 DFADRP COc1ccc(C[C@@H](C)C[NH2+][C@@H](C)[C@@H]2CCC[NH2+]2)cc1OC ZINC000423033977 296370326 /nfs/dbraw/zinc/37/03/26/296370326.db2.gz ZZAJLVHHMQCWAU-YCPHGPKFSA-N 2 0 306.450 2.613 20 0 DFADRP [NH3+][C@@H]1CCC[C@@H]1[NH2+]CCOCc1ccc(Cl)cc1Cl ZINC000423035839 296370387 /nfs/dbraw/zinc/37/03/87/296370387.db2.gz ZNHUGPOCBSZQTB-KGLIPLIRSA-N 2 0 303.233 2.979 20 0 DFADRP COc1ccc(C2(C[NH2+]C3C[C@H]4CC[C@@H](C3)[NH2+]4)CCC2)cc1 ZINC000423038185 296370627 /nfs/dbraw/zinc/37/06/27/296370627.db2.gz XUUQALFJVXJOJW-SJPCQFCGSA-N 2 0 300.446 2.990 20 0 DFADRP CCN(CC)C(=O)C[C@H](C)[NH2+]C[C@@H]1CCN1C1CCCCC1 ZINC000624077388 399545150 /nfs/dbraw/zinc/54/51/50/399545150.db2.gz IYBQBBGPYAPRQZ-RDJZCZTQSA-N 2 0 309.498 2.630 20 0 DFADRP C[NH+]1CCC(N[C@@H]2Cc3ccccc3O[C@H]2C(F)(F)F)CC1 ZINC000624078079 399545356 /nfs/dbraw/zinc/54/53/56/399545356.db2.gz PFMAFGUALMHHPH-UKRRQHHQSA-N 2 0 314.351 2.605 20 0 DFADRP c1cc2c(s1)CCC[C@@H]2[NH2+][C@@H]1CCOC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000423044024 296371249 /nfs/dbraw/zinc/37/12/49/296371249.db2.gz ANNHSMFCRHPUFP-YHUYYLMFSA-N 2 0 306.475 2.872 20 0 DFADRP C[C@H]([NH3+])[C@@H]1COCC[C@H]1[NH2+]CCCCc1ccc(F)c(F)c1 ZINC000423047839 296371790 /nfs/dbraw/zinc/37/17/90/296371790.db2.gz HGJWQSDRVYSADN-RVSPLBMKSA-N 2 0 312.404 2.629 20 0 DFADRP COC[C@@H](CCC[NH3+])[NH2+][C@H](Cc1ccccn1)c1ccccc1 ZINC000423052431 296372437 /nfs/dbraw/zinc/37/24/37/296372437.db2.gz PRAJGOKOWNYMLK-RTBURBONSA-N 2 0 313.445 2.709 20 0 DFADRP COC[C@H](CCC[NH3+])[NH2+][C@H]1C[C@@H](OCc2ccccc2)C1(C)C ZINC000423055079 296372660 /nfs/dbraw/zinc/37/26/60/296372660.db2.gz VRJNASKECNQJDX-OKZBNKHCSA-N 2 0 320.477 2.714 20 0 DFADRP Cc1ccccc1C[C@H](CO)[NH2+][C@H](C)C[C@H]1CCCCC[NH2+]1 ZINC000423056137 296372703 /nfs/dbraw/zinc/37/27/03/296372703.db2.gz FDMPPQSVWZWFBQ-BHIYHBOVSA-N 2 0 304.478 2.799 20 0 DFADRP Cc1oc2ccccc2c1CC[NH2+][C@@H]1CCOC[C@@H]1[C@H](C)[NH3+] ZINC000423050065 296372163 /nfs/dbraw/zinc/37/21/63/296372163.db2.gz LFCVISXZNPRDMM-JCURWCKSSA-N 2 0 302.418 2.626 20 0 DFADRP C[C@@H]([NH2+]CCc1cn(C)c2cc(F)ccc12)[C@H]1CCCC[NH2+]1 ZINC000423050928 296372185 /nfs/dbraw/zinc/37/21/85/296372185.db2.gz MKMHJXZXHAWMPL-CXAGYDPISA-N 2 0 303.425 2.980 20 0 DFADRP Cc1ccccc1C[C@H](CO)[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1 ZINC000423058460 296373209 /nfs/dbraw/zinc/37/32/09/296373209.db2.gz JNDYMDYURJRFJI-UAFMIMERSA-N 2 0 316.489 2.799 20 0 DFADRP CN(Cc1ccccc1)[C@H](C[NH2+]C1CCC([NH3+])CC1)C1CC1 ZINC000423059005 296373338 /nfs/dbraw/zinc/37/33/38/296373338.db2.gz DTGKLXJXKSBSET-CTWPCTMYSA-N 2 0 301.478 2.757 20 0 DFADRP CSCc1cccc(C[NH2+][C@@H]2CCOC[C@H]2[C@H]2CCC[NH2+]2)c1 ZINC000423060084 296373595 /nfs/dbraw/zinc/37/35/95/296373595.db2.gz NLPRBPKLDHZBHX-RCCFBDPRSA-N 2 0 320.502 2.796 20 0 DFADRP CSCc1cccc(C[NH2+][C@@H]2CCOC[C@H]2[C@@H]2CCC[NH2+]2)c1 ZINC000423060083 296373635 /nfs/dbraw/zinc/37/36/35/296373635.db2.gz NLPRBPKLDHZBHX-OKZBNKHCSA-N 2 0 320.502 2.796 20 0 DFADRP [NH3+][C@@H]1CCC[C@@H]1[NH2+][C@H]1CCN(c2ccccc2C(F)(F)F)C1 ZINC000423062813 296373639 /nfs/dbraw/zinc/37/36/39/296373639.db2.gz NUUSCZFQQZMNFZ-YUTCNCBUSA-N 2 0 313.367 2.754 20 0 DFADRP C[N@H+](Cc1ccccc1)[C@H](CN[C@@H]1CCC[NH2+]CC1)C1CC1 ZINC000423063739 296373668 /nfs/dbraw/zinc/37/36/68/296373668.db2.gz POBCBVKIFNWIOB-RTBURBONSA-N 2 0 301.478 2.629 20 0 DFADRP [NH3+][C@@H]1CCC[C@@H]1[NH2+][C@@H]1CCN(c2ccccc2C(F)(F)F)C1 ZINC000423062810 296373861 /nfs/dbraw/zinc/37/38/61/296373861.db2.gz NUUSCZFQQZMNFZ-BNOWGMLFSA-N 2 0 313.367 2.754 20 0 DFADRP COCCC[NH+]1CCC([NH2+][C@H](C)c2ccc(OC)cc2)CC1 ZINC000159197829 197335388 /nfs/dbraw/zinc/33/53/88/197335388.db2.gz QPFWESUKXNCVRH-OAHLLOKOSA-N 2 0 306.450 2.847 20 0 DFADRP COCCC1(C[NH2+][C@@H]2CCOC[C@@H]2[C@@H]2CCC[NH2+]2)CCCCC1 ZINC000423065564 296374126 /nfs/dbraw/zinc/37/41/26/296374126.db2.gz UUMXDYOZBTWOML-FGTMMUONSA-N 2 0 324.509 2.720 20 0 DFADRP CC[C@H]([NH2+][C@H]1CCc2cnn(C(C)C)c2C1)[C@H]1CCCC[NH2+]1 ZINC000423072556 296374994 /nfs/dbraw/zinc/37/49/94/296374994.db2.gz JPGIWKKAAYDVSL-YESZJQIVSA-N 2 0 304.482 2.832 20 0 DFADRP C[C@@H]([NH3+])[C@H](Cc1ccccc1)NCC(C)(C)C[NH+]1CCCC1 ZINC000423071403 296375075 /nfs/dbraw/zinc/37/50/75/296375075.db2.gz HTVXNLGOTLHSJL-AEFFLSMTSA-N 2 0 303.494 2.657 20 0 DFADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]C[C@H]1N(C)CCCC1(C)C ZINC000423082560 296376231 /nfs/dbraw/zinc/37/62/31/296376231.db2.gz DLBKSICJMHZKHB-SUMWQHHRSA-N 2 0 304.482 2.620 20 0 DFADRP [NH3+][C@@H]1CCCCC[C@H]1NC[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000423081983 296375826 /nfs/dbraw/zinc/37/58/26/296375826.db2.gz CGCJEKFFITZURJ-GUDVDZBRSA-N 3 0 301.478 2.758 20 0 DFADRP C[C@H](NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1)[C@@H]1CCC[NH2+]1 ZINC000423080346 296375889 /nfs/dbraw/zinc/37/58/89/296375889.db2.gz ABWXKBHENHXOOD-LLGZUXRYSA-N 2 0 319.415 2.522 20 0 DFADRP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]C[C@@]1(Cc2ccc(F)cc2)CCC[C@H]1O ZINC000423080019 296375891 /nfs/dbraw/zinc/37/58/91/296375891.db2.gz ZDOFTFQUQLJUJT-KANFNMMFSA-N 2 0 320.452 2.616 20 0 DFADRP COC[C@@H](CCC[NH3+])[NH2+][C@H](C)c1nc(C(F)(F)F)cs1 ZINC000423080981 296375969 /nfs/dbraw/zinc/37/59/69/296375969.db2.gz CBYGWRRTKMNJAB-RKDXNWHRSA-N 2 0 311.373 2.566 20 0 DFADRP c1ccc([C@H]([NH2+]C2CCN([C@H]3CCOC3)CC2)C2CCC2)nc1 ZINC000624105176 399554822 /nfs/dbraw/zinc/55/48/22/399554822.db2.gz FKWQJQHSJRNARO-PKOBYXMFSA-N 2 0 315.461 2.766 20 0 DFADRP CC[NH+](CC)[C@H](C)CN[C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423086678 296376816 /nfs/dbraw/zinc/37/68/16/296376816.db2.gz NRHKPEJDSIETJK-SZVBFZGTSA-N 2 0 317.477 2.562 20 0 DFADRP CCO[C@H](C[NH2+][C@@H]1CCOC[C@H]1[C@@H]1CCC[NH2+]1)c1ccccc1 ZINC000423088265 296376860 /nfs/dbraw/zinc/37/68/60/296376860.db2.gz PQHCDUFMCKFPMT-INDMIFKZSA-N 2 0 318.461 2.511 20 0 DFADRP CC[C@H](NC[C@@H]1CC[N@H+](Cc2ccccc2)C1)[C@@H]1CCC[NH2+]1 ZINC000423090706 296376964 /nfs/dbraw/zinc/37/69/64/296376964.db2.gz YITDNFZIZDXHKT-FHWLQOOXSA-N 2 0 301.478 2.629 20 0 DFADRP CC[C@@H](NC[C@H]1CC[N@H+](Cc2ccccc2)C1)[C@@H]1CCC[NH2+]1 ZINC000423090708 296377117 /nfs/dbraw/zinc/37/71/17/296377117.db2.gz YITDNFZIZDXHKT-QRVBRYPASA-N 2 0 301.478 2.629 20 0 DFADRP C([NH2+][C@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1)C1CC[NH+](C2CC2)CC1 ZINC000423089713 296377134 /nfs/dbraw/zinc/37/71/34/296377134.db2.gz SXLFKMPOCKZMSU-OTWHNJEPSA-N 3 0 305.510 2.761 20 0 DFADRP C[C@H]([NH3+])[C@H](Cc1ccccc1)NC1CC([NH+]2CCCCC2)C1 ZINC000423095490 296377805 /nfs/dbraw/zinc/37/78/05/296377805.db2.gz MNLHPROPRJWWKC-RXQRSOPUSA-N 2 0 301.478 2.551 20 0 DFADRP C[C@H]([NH3+])C[C@H](C)[NH2+]CCc1cccc(OCC(F)(F)F)c1 ZINC000423092104 296377475 /nfs/dbraw/zinc/37/74/75/296377475.db2.gz AOMROMNAWGZKJS-RYUDHWBXSA-N 2 0 304.356 2.886 20 0 DFADRP CCOc1ccc(C[NH2+][C@@H]2CCOC[C@H]2[C@H](C)[NH3+])cc1Cl ZINC000423098710 296378264 /nfs/dbraw/zinc/37/82/64/296378264.db2.gz DJUNPXLPMVAQPA-CORIIIEPSA-N 2 0 312.841 2.581 20 0 DFADRP CCOc1ccc(C[NH2+][C@@H](CCC[NH3+])COC)cc1Cl ZINC000423106685 296379067 /nfs/dbraw/zinc/37/90/67/296379067.db2.gz ORXKKFDVWXIVOB-ZDUSSCGKSA-N 2 0 300.830 2.582 20 0 DFADRP C[N@@H+]1CCCC[C@H](C[NH2+][C@@H]2CCCN(Cc3ccccc3)C2)C1 ZINC000624121595 399560007 /nfs/dbraw/zinc/56/00/07/399560007.db2.gz YIKCDMBAHCWSBK-WOJBJXKFSA-N 2 0 315.505 2.973 20 0 DFADRP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]CCc1ccc2c[nH]nc2c1 ZINC000423111729 296379657 /nfs/dbraw/zinc/37/96/57/296379657.db2.gz WLTNMDYZPCRCRH-KBXCAEBGSA-N 2 0 308.429 2.654 20 0 DFADRP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]CCc1ccc2c[nH]nc2c1 ZINC000423111733 296379662 /nfs/dbraw/zinc/37/96/62/296379662.db2.gz WLTNMDYZPCRCRH-KSSFIOAISA-N 2 0 308.429 2.654 20 0 DFADRP C[C@@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]CCc1ccc2c[nH]nc2c1 ZINC000423111735 296379706 /nfs/dbraw/zinc/37/97/06/296379706.db2.gz WLTNMDYZPCRCRH-RDTXWAMCSA-N 2 0 308.429 2.654 20 0 DFADRP [NH3+]C[C@@H]1CCC[C@H]1[NH2+]Cc1ccncc1OCc1ccccc1 ZINC000423114022 296379966 /nfs/dbraw/zinc/37/99/66/296379966.db2.gz ZTGUIKIXIRUKHQ-FUHWJXTLSA-N 2 0 311.429 2.878 20 0 DFADRP C[C@@H]([NH2+]C[C@H]1CCCC[N@H+](C)C1)c1ccc2c(c1)CCC(=O)N2 ZINC000624121056 399561345 /nfs/dbraw/zinc/56/13/45/399561345.db2.gz MTGIQYVHBLWCGH-HUUCEWRRSA-N 2 0 315.461 2.954 20 0 DFADRP CC(=O)N1CC[C@@H]([NH2+]C[C@@H]2CCCC[N@@H+](C)C2)c2ccccc21 ZINC000624124095 399562120 /nfs/dbraw/zinc/56/21/20/399562120.db2.gz XEFPGQBHCFXCRZ-FUHWJXTLSA-N 2 0 315.461 2.806 20 0 DFADRP c1ccc(C2CC(C[NH2+][C@@H]3CCOC[C@H]3[C@H]3CCC[NH2+]3)C2)cc1 ZINC000423115748 296380444 /nfs/dbraw/zinc/38/04/44/296380444.db2.gz OAPHVPDJSCVLDH-ATBMWHHMSA-N 2 0 314.473 2.927 20 0 DFADRP COCc1nc(CN[C@@H]2CC[NH2+][C@H](c3ccccc3)C2)cs1 ZINC000423120432 296380565 /nfs/dbraw/zinc/38/05/65/296380565.db2.gz GMWOXHRCWIWNIJ-ZBFHGGJFSA-N 2 0 317.458 2.872 20 0 DFADRP C[C@H]([NH2+]C[C@H]1CCCC[N@H+](C)C1)c1ccccc1-n1ccnn1 ZINC000624123413 399562863 /nfs/dbraw/zinc/56/28/63/399562863.db2.gz LNVFLHMMKDXCKJ-JKSUJKDBSA-N 2 0 313.449 2.650 20 0 DFADRP CC(C)Oc1ccc([C@H](C[NH2+][C@H](C)CCC[NH3+])N(C)C)cc1 ZINC000423118515 296380807 /nfs/dbraw/zinc/38/08/07/296380807.db2.gz AXLLLRPWSOLZHO-QAPCUYQASA-N 2 0 307.482 2.794 20 0 DFADRP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]C[C@@H](CO)C1CCCCC1 ZINC000423129542 296381817 /nfs/dbraw/zinc/38/18/17/296381817.db2.gz FFMCFMZQKXDJQX-SNRMKQJTSA-N 2 0 304.478 2.723 20 0 DFADRP C[C@H]([NH2+]C[C@@H](Cc1ccccc1)C(F)(F)F)[C@@H]1CC[NH2+]C1 ZINC000423127759 296381844 /nfs/dbraw/zinc/38/18/44/296381844.db2.gz UPRGXMAFUWOYSX-NWANDNLSSA-N 2 0 300.368 2.995 20 0 DFADRP CC(C)c1nnc(CC[NH2+][C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)s1 ZINC000423128536 296381999 /nfs/dbraw/zinc/38/19/99/296381999.db2.gz KVWNLMCPFYJGOS-MGPQQGTHSA-N 2 0 308.495 2.714 20 0 DFADRP C[C@@H]1CC[NH2+]C[C@H]1NC[C@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000423133772 296382552 /nfs/dbraw/zinc/38/25/52/296382552.db2.gz CWFYCZQFSRZXPC-MISYRCLQSA-N 2 0 315.505 2.876 20 0 DFADRP CCOC(=O)C1([C@H](C)[NH2+]C[C@H]2CCCC2(C)C)CC[NH2+]CC1 ZINC000423132659 296382764 /nfs/dbraw/zinc/38/27/64/296382764.db2.gz JRMGMFRUXVBOIQ-LSDHHAIUSA-N 2 0 310.482 2.724 20 0 DFADRP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1[NH2+]CCc1cc2ccccc2s1 ZINC000423129882 296382393 /nfs/dbraw/zinc/38/23/93/296382393.db2.gz FXZULMGIYZNRSH-RCBQFDQVSA-N 2 0 304.459 2.786 20 0 DFADRP C[C@@H]1[C@@H]([NH2+]C2CCC(C[NH3+])CC2)CCN1Cc1ccccc1 ZINC000423132379 296382487 /nfs/dbraw/zinc/38/24/87/296382487.db2.gz UMJRMKIUIZMTAS-JVDULTGUSA-N 2 0 301.478 2.757 20 0 DFADRP C[C@@H]([NH2+][C@@H](C)c1ccc(-n2cccn2)c(F)c1)[C@@H]1CC[NH2+]C1 ZINC000423140519 296383758 /nfs/dbraw/zinc/38/37/58/296383758.db2.gz YVLQQTOLNQRHKS-GZBFAFLISA-N 2 0 302.397 2.660 20 0 DFADRP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]CCc1cc(C(F)(F)F)ccn1 ZINC000423140695 296383871 /nfs/dbraw/zinc/38/38/71/296383871.db2.gz ZEIDKPJUFABWMX-SMDDNHRTSA-N 2 0 301.356 2.750 20 0 DFADRP CCC[C@H](C[NH2+][C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)OC ZINC000423148324 296384974 /nfs/dbraw/zinc/38/49/74/296384974.db2.gz VAIIKPIKPFHTJM-UWWQBHOKSA-N 2 0 304.434 2.647 20 0 DFADRP CSc1ccc([C@H](CN[C@@H](C)[C@@H]2CCC[NH2+]2)[NH+](C)C)cc1 ZINC000423146751 296384641 /nfs/dbraw/zinc/38/46/41/296384641.db2.gz QHJQEUMJFNTATF-JQFCIGGWSA-N 2 0 307.507 2.741 20 0 DFADRP C[C@H](CCC[NH3+])[NH2+][C@H](CCO)c1cccc(C(F)(F)F)c1 ZINC000423150637 296385352 /nfs/dbraw/zinc/38/53/52/296385352.db2.gz BODOJGUIUHODPV-BXUZGUMPSA-N 2 0 304.356 2.846 20 0 DFADRP CC[C@H]([NH2+][C@@H]1CCO[C@@H](c2cccnc2)C1)[C@H]1CCCC[NH2+]1 ZINC000423151993 296385441 /nfs/dbraw/zinc/38/54/41/296385441.db2.gz LDGSOJLLGOGAEI-XMTFNYHQSA-N 2 0 303.450 2.812 20 0 DFADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]C[C@H]1CCO[C@H](C(C)C)C1 ZINC000423156035 296386164 /nfs/dbraw/zinc/38/61/64/296386164.db2.gz RORCIZWZKDTCFA-YEWWUXTCSA-N 2 0 305.466 2.951 20 0 DFADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]C[C@@H]1CCO[C@@H](C(C)C)C1 ZINC000423156033 296386204 /nfs/dbraw/zinc/38/62/04/296386204.db2.gz RORCIZWZKDTCFA-JCKWVBRZSA-N 2 0 305.466 2.951 20 0 DFADRP C[C@H](C[C@H](C)[NH3+])[NH2+][C@H](CCO)c1cccc(C(F)(F)F)c1 ZINC000423161444 296386797 /nfs/dbraw/zinc/38/67/97/296386797.db2.gz RUQWAXRZJQGNMA-MISXGVKJSA-N 2 0 304.356 2.844 20 0 DFADRP CCO[C@@H]1CCC[C@H]1[NH2+][C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423160794 296386480 /nfs/dbraw/zinc/38/64/80/296386480.db2.gz HWDOYYQUDRIXJD-UKBAYJJMSA-N 2 0 316.445 2.790 20 0 DFADRP CCOC(=O)C1([C@H](C)[NH2+][C@@H](C)c2cccc(C)c2)CC[NH2+]CC1 ZINC000423158450 296386486 /nfs/dbraw/zinc/38/64/86/296386486.db2.gz CQTPLFKPVRFMBC-HOTGVXAUSA-N 2 0 318.461 2.967 20 0 DFADRP COc1cccc2c1C[C@H]([NH2+][C@@H](C)c1ccc(C[NH3+])nc1C)C2 ZINC000423166797 296387400 /nfs/dbraw/zinc/38/74/00/296387400.db2.gz DHEHONSEBMXAHJ-XJKSGUPXSA-N 2 0 311.429 2.675 20 0 DFADRP Cc1nc(C(C)C)sc1[C@@H](C)[NH2+]CCCN1CC[NH2+]CC1 ZINC000423180394 296388944 /nfs/dbraw/zinc/38/89/44/296388944.db2.gz NLPAYCZYTZGKGD-CYBMUJFWSA-N 2 0 310.511 2.521 20 0 DFADRP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1NCC1([NH3+])CCCCC1 ZINC000423181751 296389165 /nfs/dbraw/zinc/38/91/65/296389165.db2.gz PKXJPMMNFHTVMV-AEFFLSMTSA-N 2 0 316.493 2.543 20 0 DFADRP CC(C)[C@H]([NH2+]CCCN1CC[NH2+]CC1)c1ccc(F)c(F)c1 ZINC000423175424 296388285 /nfs/dbraw/zinc/38/82/85/296388285.db2.gz AIBNCGRNOCPVMF-KRWDZBQOSA-N 2 0 311.420 2.547 20 0 DFADRP CCN(CC)C(=O)Nc1ccc([C@H](C)[NH2+]C2CC[NH2+]CC2)cc1 ZINC000423175720 296388312 /nfs/dbraw/zinc/38/83/12/296388312.db2.gz AXLQOMUTIUFVMI-AWEZNQCLSA-N 2 0 318.465 2.963 20 0 DFADRP CC(C)[C@H](CCc1ccccc1)[NH2+]CCCN1CC[NH2+]CC1 ZINC000423181684 296389336 /nfs/dbraw/zinc/38/93/36/296389336.db2.gz PFOWXYPTELCLDI-IBGZPJMESA-N 2 0 303.494 2.529 20 0 DFADRP CC(C)(C)[N@@H+]1CC[C@@H]1CNC(=O)[C@H]1CC[NH+](C2CCCCC2)C1 ZINC000617011489 399572351 /nfs/dbraw/zinc/57/23/51/399572351.db2.gz GDZFNAVRBMOYQZ-DOTOQJQBSA-N 2 0 321.509 2.630 20 0 DFADRP c1ccc(C[C@H]([NH2+]CCCN2CC[NH2+]CC2)c2ccccc2)cc1 ZINC000423186141 296389783 /nfs/dbraw/zinc/38/97/83/296389783.db2.gz WMSYVLCZHNKRSV-NRFANRHFSA-N 2 0 323.484 2.855 20 0 DFADRP C[C@@H](Cc1ccc(F)cc1Br)N[C@H]1CCC[NH2+]C1 ZINC000423193885 296390798 /nfs/dbraw/zinc/39/07/98/296390798.db2.gz QYXUNKSSNGJUBV-GWCFXTLKSA-N 2 0 315.230 2.861 20 0 DFADRP Clc1ccc([C@@H](CC2CC2)[NH2+]CCN2CC[NH2+]CC2)cc1 ZINC000423199203 296391705 /nfs/dbraw/zinc/39/17/05/296391705.db2.gz ASAMXDPCVQARDQ-QGZVFWFLSA-N 2 0 307.869 2.676 20 0 DFADRP Cc1ccccc1[C@H]([NH2+]CCN1CC[NH2+]CC1)C1CCCC1 ZINC000423201720 296391816 /nfs/dbraw/zinc/39/18/16/296391816.db2.gz JEMIVUUKGNLMIZ-LJQANCHMSA-N 2 0 301.478 2.721 20 0 DFADRP COc1cccc(N2CC[C@@H](C[NH2+][C@H]3CC[N@H+](C)[C@@H](C)C3)C2)c1 ZINC000157475289 197189859 /nfs/dbraw/zinc/18/98/59/197189859.db2.gz QLHMAVREELRQGM-ULQDDVLXSA-N 2 0 317.477 2.594 20 0 DFADRP Clc1cccc([C@H]2CC[C@H]([NH2+]CCCN3CC[NH2+]CC3)C2)c1 ZINC000423195630 296391121 /nfs/dbraw/zinc/39/11/21/296391121.db2.gz ZSUXSTOWVYCCEP-WMZOPIPTSA-N 2 0 321.896 2.861 20 0 DFADRP C[C@H](Cc1cn(C)c2ccc(F)cc12)[NH2+][C@H](C)[C@@H]1CCC[NH2+]1 ZINC000423195927 296391149 /nfs/dbraw/zinc/39/11/49/296391149.db2.gz YMIYUCRRGVFUMC-XNJGSVPQSA-N 2 0 303.425 2.979 20 0 DFADRP CCCCCOc1ccc([C@H](C)[NH2+]CCN2CC[NH2+]CC2)cc1 ZINC000423208339 296392487 /nfs/dbraw/zinc/39/24/87/296392487.db2.gz SYFCJQSLYZCMCL-KRWDZBQOSA-N 2 0 319.493 2.811 20 0 DFADRP C[C@@H]([NH2+]C[C@@H]1CCC[NH2+]C1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000423211004 296392871 /nfs/dbraw/zinc/39/28/71/296392871.db2.gz KLONVGBYJXMJCF-ZIAGYGMSSA-N 2 0 316.449 2.621 20 0 DFADRP CC(C)C[C@H]([NH2+]CCN1CC[NH2+]CC1)c1ccc(Cl)cc1 ZINC000423200625 296391898 /nfs/dbraw/zinc/39/18/98/296391898.db2.gz GAGWCEZXQGEAAG-KRWDZBQOSA-N 2 0 309.885 2.922 20 0 DFADRP CC[C@H]([NH2+][C@@H](C)[C@H]1CCC[NH2+]C1)c1ccc(C(=O)OC)cc1 ZINC000423211918 296393004 /nfs/dbraw/zinc/39/30/04/296393004.db2.gz HVGPRTYSGVMCIB-JQFCIGGWSA-N 2 0 304.434 2.902 20 0 DFADRP c1c2c(nn1-c1ccccc1)CCC[C@H]2[NH2+]C[C@@H]1CCC[NH2+]C1 ZINC000423212450 296393011 /nfs/dbraw/zinc/39/30/11/296393011.db2.gz LYBFOFUVQGHUDE-CRAIPNDOSA-N 2 0 310.445 2.839 20 0 DFADRP COCC[C@H]1CCC[C@@H]1[NH2+]Cc1cccc(OCC[NH+](C)C)c1 ZINC000282341542 285179448 /nfs/dbraw/zinc/17/94/48/285179448.db2.gz VHYQCHJVFCOOCS-MJGOQNOKSA-N 2 0 320.477 2.922 20 0 DFADRP C[C@@H]([NH2+]CC[C@H](C)[NH3+])c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000423225739 296394457 /nfs/dbraw/zinc/39/44/57/296394457.db2.gz OAQNLNAQTGKUCO-UONOGXRCSA-N 2 0 324.490 2.791 20 0 DFADRP Cc1ccc([C@H](CCn2cncn2)[NH2+]C2CCC([NH3+])CC2)cc1 ZINC000423229160 296394607 /nfs/dbraw/zinc/39/46/07/296394607.db2.gz GOMVHFOWQKLUSN-ABHNRTSZSA-N 2 0 313.449 2.577 20 0 DFADRP CCC(C)(C)[NH2+][C@@H](C)C(=O)NC[C@@H]1CC[N@@H+]1Cc1ccccc1 ZINC000620770543 399588622 /nfs/dbraw/zinc/58/86/22/399588622.db2.gz AWTCKWNVNDBQQF-RDJZCZTQSA-N 2 0 317.477 2.544 20 0 DFADRP Brc1cccc2c1C[C@H]([NH2+]CC[C@H]1CC[NH2+]C1)CC2 ZINC000423239555 296395880 /nfs/dbraw/zinc/39/58/80/296395880.db2.gz BINUMASPKMJGLP-TZMCWYRMSA-N 2 0 323.278 2.896 20 0 DFADRP C[C@@H]1C[C@H](NC[C@@H]([NH3+])c2ccccc2)C[N@@H+]1Cc1ccccc1 ZINC000423235123 296395231 /nfs/dbraw/zinc/39/52/31/296395231.db2.gz GJLJCEYOUOJUAQ-LSTHTHJFSA-N 2 0 309.457 2.939 20 0 DFADRP COc1ccc2c(c1)[C@@H]([NH2+]CC[C@H]1CCC[NH2+]C1)CCCO2 ZINC000423255137 296397222 /nfs/dbraw/zinc/39/72/22/296397222.db2.gz AWFNINXPJSOBKM-PBHICJAKSA-N 2 0 304.434 2.888 20 0 DFADRP COc1cc(C)c(C[C@H](C)[NH2+]CC[C@@H]2CC[NH2+]C2)cc1OC ZINC000423242054 296396282 /nfs/dbraw/zinc/39/62/82/296396282.db2.gz DXDXBSXMOQABOY-GJZGRUSLSA-N 2 0 306.450 2.532 20 0 DFADRP C[C@@H]([NH2+]CC[C@H]1CC[NH2+]C1)c1ncc(Br)cc1F ZINC000423245001 296396499 /nfs/dbraw/zinc/39/64/99/296396499.db2.gz IIQREGVBDLKOQM-NXEZZACHSA-N 2 0 316.218 2.633 20 0 DFADRP [NH3+][C@H](CN[C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)c1ccccc1 ZINC000423244525 296396602 /nfs/dbraw/zinc/39/66/02/296396602.db2.gz HPHFSRRTKQBNQN-HBFSDRIKSA-N 2 0 323.440 2.532 20 0 DFADRP [NH3+][C@H](CN[C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)c1ccccc1 ZINC000423244524 296396669 /nfs/dbraw/zinc/39/66/69/296396669.db2.gz HPHFSRRTKQBNQN-GGPKGHCWSA-N 2 0 323.440 2.532 20 0 DFADRP COc1ccc([C@H](C)[C@@H](C)[NH2+]CC[C@H]2CC[NH2+]C2)cc1OC ZINC000423248131 296396749 /nfs/dbraw/zinc/39/67/49/296396749.db2.gz MRBWNNDPPDKFMZ-RBSFLKMASA-N 2 0 306.450 2.785 20 0 DFADRP CCO[C@@H]1C[C@H]([NH2+]CC[C@H]2CCC[NH2+]C2)[C@@H]1Oc1ccccc1 ZINC000423264381 296398177 /nfs/dbraw/zinc/39/81/77/296398177.db2.gz YLCKBKMDWLCRSG-LULLPPNCSA-N 2 0 318.461 2.591 20 0 DFADRP C[C@@H]1C[C@@H]([NH2+]CC[C@@H]2CCC[NH2+]C2)CN1Cc1ccccc1 ZINC000423255387 296397295 /nfs/dbraw/zinc/39/72/95/296397295.db2.gz BUZGCDWJEXBXAL-ZIFCJYIRSA-N 2 0 301.478 2.629 20 0 DFADRP C[C@@H]1C[C@H]([NH2+]CC[C@@H]2CCC[NH2+]C2)CN1Cc1ccccc1 ZINC000423255384 296397347 /nfs/dbraw/zinc/39/73/47/296397347.db2.gz BUZGCDWJEXBXAL-AOIWGVFYSA-N 2 0 301.478 2.629 20 0 DFADRP C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1[NH2+]CC[C@@H]1CCC[NH2+]C1 ZINC000423261366 296397967 /nfs/dbraw/zinc/39/79/67/296397967.db2.gz RZBPXHOWXHEVAQ-HBFSDRIKSA-N 3 0 315.505 2.876 20 0 DFADRP C[C@H](Cc1ccccc1)[NH+]1CCC(N[C@@H]2CCC[C@H]2C[NH3+])CC1 ZINC000423266888 296398529 /nfs/dbraw/zinc/39/85/29/296398529.db2.gz DWOTVROQHUMRDZ-IMFGXOCKSA-N 2 0 315.505 2.799 20 0 DFADRP C[NH2+]C[C@@H](C)C[NH2+][C@H](C)c1ccc(OC)c(Br)c1 ZINC000423265650 296398538 /nfs/dbraw/zinc/39/85/38/296398538.db2.gz CNYRVUDPLIWUPV-GHMZBOCLSA-N 2 0 315.255 2.964 20 0 DFADRP CC1(C)CC([NH2+]Cc2cn([C@@H]3CC[NH2+]C3)nn2)CC(C)(C)C1 ZINC000629401818 399593835 /nfs/dbraw/zinc/59/38/35/399593835.db2.gz FVNIOZKEJGSKGO-OAHLLOKOSA-N 2 0 305.470 2.507 20 0 DFADRP c1ccc(C[C@@H]([NH2+]CC[C@@H]2CCC[NH2+]C2)c2cccnc2)nc1 ZINC000423265570 296398620 /nfs/dbraw/zinc/39/86/20/296398620.db2.gz ZYGVECZSVMBBES-QFBILLFUSA-N 2 0 310.445 2.740 20 0 DFADRP COc1cc([C@H](C)[NH2+][C@@H]2CCCC[C@H]2C[NH3+])cc(OC)c1OC ZINC000423274222 296399657 /nfs/dbraw/zinc/39/96/57/296399657.db2.gz LRRIEKKQKQJCPQ-KCQAQPDRSA-N 2 0 322.449 2.881 20 0 DFADRP COC(=O)CCC[C@@H]1CCC[C@@H]([NH2+]CC[C@@H]2CCC[NH2+]C2)C1 ZINC000423283986 296400927 /nfs/dbraw/zinc/40/09/27/296400927.db2.gz XVYCMEUSXAVDQL-YESZJQIVSA-N 2 0 310.482 2.868 20 0 DFADRP C[C@H]([NH2+][C@H]1CCCC[C@@H]1C[NH3+])c1ccc(C(=O)N(C)C)cc1 ZINC000423278063 296400133 /nfs/dbraw/zinc/40/01/33/296400133.db2.gz PCSIQRHEVFGDIJ-XKQJLSEDSA-N 2 0 303.450 2.557 20 0 DFADRP C[C@H]([NH2+][C@@H]1CCCC[C@@H]1C[NH3+])c1ccc(C(=O)N(C)C)cc1 ZINC000423278060 296400239 /nfs/dbraw/zinc/40/02/39/296400239.db2.gz PCSIQRHEVFGDIJ-IAOVAPTHSA-N 2 0 303.450 2.557 20 0 DFADRP CC(C)NC(=O)Nc1ccc([C@H](C)[NH2+][C@@H]2CCC[C@@H]2C[NH3+])cc1 ZINC000423278028 296400329 /nfs/dbraw/zinc/40/03/29/296400329.db2.gz QJMDCBGVNJPYHZ-YSVLISHTSA-N 2 0 318.465 2.995 20 0 DFADRP COCC[N@H+](C)CCCC1CC[NH+](CC2(SC)CC2)CC1 ZINC000347848134 285205591 /nfs/dbraw/zinc/20/55/91/285205591.db2.gz IBSGEXGVHJYVCI-UHFFFAOYSA-N 2 0 314.539 2.952 20 0 DFADRP C[C@H](C[NH3+])C[NH2+][C@H](C)c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000423293506 296401753 /nfs/dbraw/zinc/40/17/53/296401753.db2.gz AALCNCVASDQYIK-ZIAGYGMSSA-N 2 0 324.490 2.648 20 0 DFADRP C[C@@H](C[NH3+])C[NH2+][C@H]1CCCOc2c(Br)cccc21 ZINC000423299133 296401887 /nfs/dbraw/zinc/40/18/87/296401887.db2.gz PJGVABICHUQMER-GWCFXTLKSA-N 2 0 313.239 2.847 20 0 DFADRP c1cc2ncc(C[NH2+]Cc3ccc(C[NH+]4CCCC4)cc3)cn2n1 ZINC000624212020 399598915 /nfs/dbraw/zinc/59/89/15/399598915.db2.gz NELONIHKZVXUAJ-UHFFFAOYSA-N 2 0 321.428 2.615 20 0 DFADRP CC(C)C[C@H](C[NH+](C)C)NC(=O)C(C)(C)[C@H]([NH3+])c1ccccc1 ZINC000423318147 296403721 /nfs/dbraw/zinc/40/37/21/296403721.db2.gz CQPIZCOYSWNCLT-IAGOWNOFSA-N 2 0 319.493 2.805 20 0 DFADRP CC[C@@H]([NH2+]C[C@]1(C)CCC[NH2+]C1)c1ccc(C(=O)OC)cc1 ZINC000423328271 296404914 /nfs/dbraw/zinc/40/49/14/296404914.db2.gz DKDRHFCJMGDXTJ-SJLPKXTDSA-N 2 0 304.434 2.904 20 0 DFADRP C[C@H]([NH2+]C[C@@H]1CC[NH2+]C1)c1ccc(OCC(F)(F)F)cc1 ZINC000423331554 296405212 /nfs/dbraw/zinc/40/52/12/296405212.db2.gz GSKUNOWIJOVZBO-NWDGAFQWSA-N 2 0 302.340 2.888 20 0 DFADRP CC[C@H]([NH2+]C[C@]1(C)CCC[NH2+]C1)c1ccc2c(c1)OCCO2 ZINC000423330992 296405280 /nfs/dbraw/zinc/40/52/80/296405280.db2.gz OATCXSJLPMVKNA-MAUKXSAKSA-N 2 0 304.434 2.888 20 0 DFADRP [NH3+]CCCC[NH2+][C@@H]1CCc2c1ccc(F)c2Br ZINC000423335997 296405450 /nfs/dbraw/zinc/40/54/50/296405450.db2.gz UMJFJOZFMIXJNT-GFCCVEGCSA-N 2 0 301.203 2.904 20 0 DFADRP O[C@H]1C[C@@H](C[NH2+][C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)C1 ZINC000624217624 399601326 /nfs/dbraw/zinc/60/13/26/399601326.db2.gz ASCNVVWGXRSWEU-OUUBHVDSSA-N 2 0 314.473 2.648 20 0 DFADRP C[C@@H]([NH3+])c1ccc(C(=O)N2CCC[C@@H]2C[NH+]2CCCCC2)cc1 ZINC000423344009 296406620 /nfs/dbraw/zinc/40/66/20/296406620.db2.gz DXVZPAMGXMULTM-CRAIPNDOSA-N 2 0 315.461 2.797 20 0 DFADRP CCN1CCC[C@H]([NH2+][C@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000347882882 285223209 /nfs/dbraw/zinc/22/32/09/285223209.db2.gz VGPMJNZYIZOSMM-RLLQIKCJSA-N 2 0 315.505 2.971 20 0 DFADRP CC(C)[C@@H](C(=O)NCc1cccc(C[NH+]2CCCC2)c1)[C@H](C)[NH3+] ZINC000423346024 296406922 /nfs/dbraw/zinc/40/69/22/296406922.db2.gz YGJSFQDVXOBVCW-MAUKXSAKSA-N 2 0 317.477 2.518 20 0 DFADRP CC(C)Oc1ccc([C@@H](C)[NH2+][C@@H](C)CN2CC[NH+](C)CC2)cc1 ZINC000155060637 197018299 /nfs/dbraw/zinc/01/82/99/197018299.db2.gz PPKVBFRZVOEKCH-DLBZAZTESA-N 2 0 319.493 2.760 20 0 DFADRP COCCOc1ccc([C@H](C)[NH2+][C@H]2CCC[C@@H]([NH3+])C2)cc1OC ZINC000423366141 296408879 /nfs/dbraw/zinc/40/88/79/296408879.db2.gz BOGFTKDMGUJFFJ-IMJJTQAJSA-N 2 0 322.449 2.641 20 0 DFADRP C[C@H]([NH2+][C@@H]1CCC[C@H]([NH3+])C1)c1cccc(OCC[NH+](C)C)c1 ZINC000423366038 296408881 /nfs/dbraw/zinc/40/88/81/296408881.db2.gz BLRJTYMPTOIQNF-BHYGNILZSA-N 3 0 305.466 2.548 20 0 DFADRP Cc1ccc(C[C@H]([NH2+][C@@H](C)CN2CC[NH+](C)CC2)C2CC2)cc1 ZINC000155150838 197026754 /nfs/dbraw/zinc/02/67/54/197026754.db2.gz ZHJREDVQNPCNML-PXNSSMCTSA-N 2 0 315.505 2.542 20 0 DFADRP CC(C)=CCC[C@@H](C)[NH2+]C[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000423372889 296409787 /nfs/dbraw/zinc/40/97/87/296409787.db2.gz BMXNRERKVHLSAB-ZIAGYGMSSA-N 2 0 307.404 2.547 20 0 DFADRP CO[C@H]1C[C@@H](C[NH+]2CCCC2)N(c2cc[nH+]c(C)c2Cl)C1 ZINC000347895836 285230153 /nfs/dbraw/zinc/23/01/53/285230153.db2.gz GKNCPXKKSALVSL-KBPBESRZSA-N 2 0 309.841 2.733 20 0 DFADRP Cc1ccc([C@H](CCn2cncn2)[NH2+][C@@H]2CCC[C@@H]([NH3+])C2)cc1 ZINC000423382967 296410982 /nfs/dbraw/zinc/41/09/82/296410982.db2.gz KCPWNTDBYWJFFE-KURKYZTESA-N 2 0 313.449 2.577 20 0 DFADRP CC(C)[C@H]([NH2+]C[C@@H]1C[NH2+]C[C@@H]1O)c1ccc(Cl)c(Cl)c1 ZINC000423398572 296412283 /nfs/dbraw/zinc/41/22/83/296412283.db2.gz DBWLTFCKDRHLDI-CQDKDKBSSA-N 2 0 317.260 2.860 20 0 DFADRP CCCC[C@H](C)[C@@H](C)[NH2+]C[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000423398709 296412437 /nfs/dbraw/zinc/41/24/37/296412437.db2.gz UEQJVOROZDTHSW-BFHYXJOUSA-N 2 0 309.420 2.627 20 0 DFADRP CC(C)CC[C@@H]([NH2+]C[C@H](N1CC[NH2+]CC1)C(F)(F)F)C1CC1 ZINC000423397587 296412452 /nfs/dbraw/zinc/41/24/52/296412452.db2.gz SPAREABEYJMBIH-CABCVRRESA-N 2 0 321.431 2.627 20 0 DFADRP COc1cc([C@H](C)[NH2+][C@H]2CCC[C@H]([NH3+])C2)cc(OC)c1OC ZINC000423388336 296411841 /nfs/dbraw/zinc/41/18/41/296411841.db2.gz NJUSUNLJNCQDRS-UBHSHLNASA-N 2 0 308.422 2.633 20 0 DFADRP COc1cc2[nH+]ccc(N3CCC[C@@H]([NH+](C)C)C3)c2cc1OC ZINC000298135824 533179938 /nfs/dbraw/zinc/17/99/38/533179938.db2.gz COVQDSPOMBAWAL-CYBMUJFWSA-N 2 0 315.417 2.782 20 0 DFADRP COc1ccc(C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)c(C)c1OC ZINC000347911101 285239973 /nfs/dbraw/zinc/23/99/73/285239973.db2.gz KQFAFOHJEUMNFF-IAGOWNOFSA-N 2 0 318.461 2.928 20 0 DFADRP COCC1(C[NH2+][C@@H]2c3cc(F)ccc3C[C@H]2C)CC[NH2+]CC1 ZINC000423409896 296413864 /nfs/dbraw/zinc/41/38/64/296413864.db2.gz QYGYVEHXTCAACE-DYVFJYSZSA-N 2 0 306.425 2.665 20 0 DFADRP C[C@H]([NH2+]C[C@@H]1C[NH2+]C[C@H]1O)c1ccc(SC2CCCC2)cc1 ZINC000423412367 296414019 /nfs/dbraw/zinc/41/40/19/296414019.db2.gz WSYKFAQQXHGIAR-DHSIGJKJSA-N 2 0 320.502 2.952 20 0 DFADRP C[C@@H]([NH2+]C[C@H]1CC[C@H](C[NH3+])CC1)c1ccc(C(=O)N(C)C)cc1 ZINC000423416170 296414939 /nfs/dbraw/zinc/41/49/39/296414939.db2.gz CBEDPAAJNXVGJI-BZUAXINKSA-N 2 0 317.477 2.804 20 0 DFADRP COC(=O)c1csc([C@@H](C)[NH2+][C@@H]2C[C@H]2C2CC[NH2+]CC2)c1 ZINC000423445349 296417272 /nfs/dbraw/zinc/41/72/72/296417272.db2.gz RUSYICCBSVFTEA-DDTOSNHZSA-N 2 0 308.447 2.573 20 0 DFADRP COC(=O)c1ccc(C[N@@H+]2CCC3(C2)CC[NH+](C)CC3)cc1F ZINC000602877063 399611968 /nfs/dbraw/zinc/61/19/68/399611968.db2.gz LHSVKXIEJFDGFW-UHFFFAOYSA-N 2 0 320.408 2.530 20 0 DFADRP CC(C)[C@@H](C(=O)NC1CC[NH+](C2CCCCC2)CC1)[C@@H](C)[NH3+] ZINC000423431973 296416192 /nfs/dbraw/zinc/41/61/92/296416192.db2.gz IZFZOVRXPKLBEZ-RHSMWYFYSA-N 2 0 309.498 2.519 20 0 DFADRP [NH3+][C@@H]1CCC[C@H](C[NH2+][C@@H](c2ccc(F)cc2)c2cnccn2)C1 ZINC000423460369 296418228 /nfs/dbraw/zinc/41/82/28/296418228.db2.gz AUIZZEFXTIDQGS-XCRHUMRWSA-N 2 0 314.408 2.812 20 0 DFADRP C[C@H]([NH2+]C[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1)[C@H]1CCOC1 ZINC000423478629 296420015 /nfs/dbraw/zinc/42/00/15/296420015.db2.gz UEWNKEOKGWLAPN-OWIUFQIYSA-N 2 0 306.425 2.533 20 0 DFADRP C[C@H]([NH2+]CCC(=O)N1CCC[C@@H]1C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000347934559 285255098 /nfs/dbraw/zinc/25/50/98/285255098.db2.gz OYBWJHCPOCUKIY-ULQDDVLXSA-N 2 0 321.509 2.630 20 0 DFADRP COc1ccccc1NC(=O)C[C@@H](C)[NH2+]CCC[C@@H]1CCC[NH2+]1 ZINC000423488335 296421309 /nfs/dbraw/zinc/42/13/09/296421309.db2.gz VHPVYRJEROIYRQ-HUUCEWRRSA-N 2 0 319.449 2.534 20 0 DFADRP COc1cc(NC(C)=O)ccc1[C@H](C)[NH2+]CCC[C@H]1CCC[NH2+]1 ZINC000423489704 296421409 /nfs/dbraw/zinc/42/14/09/296421409.db2.gz WWHKXIJKNPYAEL-ZFWWWQNUSA-N 2 0 319.449 2.836 20 0 DFADRP C[C@H]([NH2+]CCC[NH2+]C1CC1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000423533786 296427329 /nfs/dbraw/zinc/42/73/29/296427329.db2.gz YNKNOSCZJCXAMQ-ZDUSSCGKSA-N 2 0 316.449 2.763 20 0 DFADRP C[C@H]([NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1)c1ccnn1-c1ccccc1 ZINC000423536480 296427648 /nfs/dbraw/zinc/42/76/48/296427648.db2.gz AJSLZKVIKYAMFU-LUKYLMHMSA-N 2 0 310.445 2.911 20 0 DFADRP COc1ccc([C@H](C)[NH2+]CCC2=CC[NH2+]CC2)cc1NC(C)=O ZINC000423538952 296427827 /nfs/dbraw/zinc/42/78/27/296427827.db2.gz OEYKCDHBRFTGBT-ZDUSSCGKSA-N 2 0 317.433 2.614 20 0 DFADRP C[C@@H](C(=O)NCCCC[NH+]1CCC(C)CC1)[NH+]1[C@@H](C)CC[C@@H]1C ZINC000120676046 195213830 /nfs/dbraw/zinc/21/38/30/195213830.db2.gz ZOJGLONJNCPBTL-BZSNNMDCSA-N 2 0 323.525 2.876 20 0 DFADRP C[C@@H](Cc1ccccc1)[NH+]1CCC(N[C@@H]2CCCC[NH2+]C2)CC1 ZINC000423544341 296428387 /nfs/dbraw/zinc/42/83/87/296428387.db2.gz CNZACXKUBKZDQY-FXAWDEMLSA-N 2 0 315.505 2.814 20 0 DFADRP CC(C)C[C@H]([NH2+]C[C@H](C)CN1CC[NH+](C)CC1)c1ccccn1 ZINC000120812876 195243214 /nfs/dbraw/zinc/24/32/14/195243214.db2.gz DIGUTVQWBQQLOA-HKUYNNGSSA-N 2 0 318.509 2.642 20 0 DFADRP NC1(C[NH2+][C@@H]2CC[C@@H]2C2CC2)CC[NH+](Cc2ccccc2)CC1 ZINC000423577958 296430589 /nfs/dbraw/zinc/43/05/89/296430589.db2.gz TWMLFTJXQCORNA-RTBURBONSA-N 2 0 313.489 2.758 20 0 DFADRP C[C@H](C[NH2+][C@H](C)c1ccc2c(c1)CCC2)CN1CC[NH+](C)CC1 ZINC000120864541 195253526 /nfs/dbraw/zinc/25/35/26/195253526.db2.gz PNDVZJPTKBVNET-IAGOWNOFSA-N 2 0 315.505 2.709 20 0 DFADRP OC[C@H]1CCC[N@@H+]1CCCC[NH2+][C@@H]1CCCc2ccc(O)cc21 ZINC000291279784 285289829 /nfs/dbraw/zinc/28/98/29/285289829.db2.gz RBXQLILWJZSCBD-VQIMIIECSA-N 2 0 318.461 2.596 20 0 DFADRP CO[C@@H](C)C[N@H+](C)Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000289617779 221107154 /nfs/dbraw/zinc/10/71/54/221107154.db2.gz LKROMPVUUOUFSP-INIZCTEOSA-N 2 0 319.493 2.684 20 0 DFADRP C[C@H]([NH2+]C[C@@](C)(O)C1CC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000348039493 285311511 /nfs/dbraw/zinc/31/15/11/285311511.db2.gz MEOMMUGRVZMOIV-VDZJLULYSA-N 2 0 302.462 2.648 20 0 DFADRP [NH3+][C@H]1CCC[C@H]([NH2+][C@@H]2Cc3ccccc3O[C@H]2C(F)(F)F)C1 ZINC000629513086 399630570 /nfs/dbraw/zinc/63/05/70/399630570.db2.gz HOXXJRHWICVEIR-RMRHIDDWSA-N 2 0 314.351 2.781 20 0 DFADRP c1ccc2c(c1)CO[C@H](C[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1)C2 ZINC000629513048 399630825 /nfs/dbraw/zinc/63/08/25/399630825.db2.gz JZLGXKBHTACRGO-WJFTUGDTSA-N 2 0 300.446 2.638 20 0 DFADRP C[C@H](CCCO)C[NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]12 ZINC000294879028 224281532 /nfs/dbraw/zinc/28/15/32/224281532.db2.gz VKFSTEIEUZWLFY-RSPOEFSDSA-N 2 0 316.489 2.895 20 0 DFADRP Cc1cccnc1[C@H]1CCC[C@H]([NH2+]CC2([NH3+])CCOCC2)C1 ZINC000629519310 399633902 /nfs/dbraw/zinc/63/39/02/399633902.db2.gz FPVXLOORJIMTHD-HOTGVXAUSA-N 2 0 303.450 2.514 20 0 DFADRP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+]C[C@@H]1CCCN1CC(F)F ZINC000629520897 399634013 /nfs/dbraw/zinc/63/40/13/399634013.db2.gz ZHVQKDQGRZOLTL-KFWWJZLASA-N 2 0 303.441 2.616 20 0 DFADRP C[NH+]1CCN(c2ncccc2C[NH2+][C@@H]2CC[C@H]2C(C)(C)C)CC1 ZINC000348053817 285319849 /nfs/dbraw/zinc/31/98/49/285319849.db2.gz IQHGRCKHHPHNNU-IAGOWNOFSA-N 2 0 316.493 2.748 20 0 DFADRP Cc1nc(C(C)C)ccc1C[N@@H+]1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000629533208 399637618 /nfs/dbraw/zinc/63/76/18/399637618.db2.gz NHYUICZWNBHGQA-QGZVFWFLSA-N 2 0 317.477 2.701 20 0 DFADRP C[NH2+]CCOCC[NH2+][C@@H](Cc1ccc(F)cc1)c1ccccc1 ZINC000629530568 399637874 /nfs/dbraw/zinc/63/78/74/399637874.db2.gz KBGJGUWWKQXGJS-IBGZPJMESA-N 2 0 316.420 2.935 20 0 DFADRP C[NH2+]CCOCC[NH2+][C@H]1CCCOc2c(C)cc(Cl)cc21 ZINC000629530128 399637963 /nfs/dbraw/zinc/63/79/63/399637963.db2.gz WDOIQSVMBXNUTO-HNNXBMFYSA-N 2 0 312.841 2.688 20 0 DFADRP C[NH2+]CCOCC[NH2+][C@@H]1CCCOc2c(C)cc(Cl)cc21 ZINC000629530129 399638060 /nfs/dbraw/zinc/63/80/60/399638060.db2.gz WDOIQSVMBXNUTO-OAHLLOKOSA-N 2 0 312.841 2.688 20 0 DFADRP CC[C@H]([NH2+]CCOCCC[NH3+])c1ccc(Br)cc1 ZINC000629535684 399638903 /nfs/dbraw/zinc/63/89/03/399638903.db2.gz CYKKENUETFXIDQ-AWEZNQCLSA-N 2 0 315.255 2.855 20 0 DFADRP C[C@@H]([NH2+]CCOCCC[NH3+])c1csc(-c2ccccc2F)n1 ZINC000629540623 399640303 /nfs/dbraw/zinc/64/03/03/399640303.db2.gz VZQUZDZNMYPCJI-GFCCVEGCSA-N 2 0 323.437 2.965 20 0 DFADRP COc1ccc([C@@H]([NH2+]CCOCCC[NH3+])c2ccccc2)cc1 ZINC000629536420 399640357 /nfs/dbraw/zinc/64/03/57/399640357.db2.gz HKXKANAHKDGIAG-IBGZPJMESA-N 2 0 314.429 2.740 20 0 DFADRP C[C@@H]([NH2+]CCOCCC[NH3+])c1cc(Br)ccc1F ZINC000629538759 399640456 /nfs/dbraw/zinc/64/04/56/399640456.db2.gz MUWQICMOWSUYDT-SNVBAGLBSA-N 2 0 319.218 2.604 20 0 DFADRP COc1ccccc1[C@H]([NH2+]CCOCCC[NH3+])C1CCCC1 ZINC000629540512 399640044 /nfs/dbraw/zinc/64/00/44/399640044.db2.gz VHWWZDOESBUDAH-GOSISDBHSA-N 2 0 306.450 2.882 20 0 DFADRP C[C@@H]1CC[C@@H](N[C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C[NH2+]1 ZINC000629543369 399641172 /nfs/dbraw/zinc/64/11/72/399641172.db2.gz ZPIJLMAAJAMMDS-RACLHMPKSA-N 2 0 313.489 2.912 20 0 DFADRP COc1ccc([C@@H]2CCCC[C@H]2[NH2+]CCOCCC[NH3+])cc1F ZINC000629542239 399641187 /nfs/dbraw/zinc/64/11/87/399641187.db2.gz XGPAHLQNOIEKIR-DOTOQJQBSA-N 2 0 324.440 2.816 20 0 DFADRP C[C@@H]1[NH2+]CC[C@H]1[NH2+]C1CCC([N@H+](C)Cc2ccccc2)CC1 ZINC000629543828 399641898 /nfs/dbraw/zinc/64/18/98/399641898.db2.gz CKUXBBPOODCCSA-GWFLUQINSA-N 3 0 301.478 2.770 20 0 DFADRP OCc1ccc(F)c(C[NH+]2CCC([C@H]3CCC[NH2+]C3)CC2)c1 ZINC000629544502 399642439 /nfs/dbraw/zinc/64/24/39/399642439.db2.gz IXAFVCBOGXXWDW-INIZCTEOSA-N 2 0 306.425 2.530 20 0 DFADRP O[C@H](C[NH2+][C@@H]1C[C@H]1c1ccc2ccccc2c1)C[NH+]1CCCC1 ZINC000629577490 399653519 /nfs/dbraw/zinc/65/35/19/399653519.db2.gz AIYIMSMSDBDBKK-HSALFYBXSA-N 2 0 310.441 2.742 20 0 DFADRP C[C@H]([NH3+])[C@H]1COCC[C@H]1[NH2+]Cc1ccccc1CC(F)(F)F ZINC000629555293 399646359 /nfs/dbraw/zinc/64/63/59/399646359.db2.gz UKICLNMAPVUUPR-NILFDRSVSA-N 2 0 316.367 2.633 20 0 DFADRP O[C@@H](C[NH2+]CCc1cc(Cl)cc(Cl)c1)C[NH+]1CCCC1 ZINC000629558128 399648345 /nfs/dbraw/zinc/64/83/45/399648345.db2.gz AXURIAXNDIAHEU-HNNXBMFYSA-N 2 0 317.260 2.582 20 0 DFADRP Cn1nnc2ccc(-c3ccc(C[NH+]4CCC([NH3+])CC4)cc3)cc21 ZINC000629709757 399696994 /nfs/dbraw/zinc/69/69/94/399696994.db2.gz KHAKNSRANHGLRH-UHFFFAOYSA-N 2 0 321.428 2.558 20 0 DFADRP CN1CC[NH+](Cc2ccccc2-c2cccc3c2C[NH2+]C3)CC1 ZINC000629734926 399707944 /nfs/dbraw/zinc/70/79/44/399707944.db2.gz ARMQSBPDIRQEON-UHFFFAOYSA-N 2 0 307.441 2.704 20 0 DFADRP C[C@@H]([NH3+])c1ccc(-c2ccc(CN3CC[NH2+]CC3)cc2)cc1F ZINC000629738438 399710092 /nfs/dbraw/zinc/71/00/92/399710092.db2.gz VZJFHNYBYBAOTN-CQSZACIVSA-N 2 0 313.420 2.918 20 0 DFADRP Cc1nccnc1CC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000294973125 224349657 /nfs/dbraw/zinc/34/96/57/224349657.db2.gz KBXKKDXRLKYTQI-LPHOPBHVSA-N 2 0 324.472 2.828 20 0 DFADRP Cc1nccnc1CC[NH2+][C@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000294976209 224352373 /nfs/dbraw/zinc/35/23/73/224352373.db2.gz KHRHECGUYJOJFQ-APWZRJJASA-N 2 0 324.472 2.828 20 0 DFADRP c1ccc(C[N@H+]2C[C@@H]3CC[C@H]([NH2+]C[C@H]4CCCO4)[C@@H]3C2)cc1 ZINC000294977674 224353806 /nfs/dbraw/zinc/35/38/06/224353806.db2.gz GGWHNGPRXSXWRJ-MANSERQUSA-N 2 0 300.446 2.666 20 0 DFADRP C[C@@H]([NH2+][C@H](C)C1CC[NH+](C)CC1)c1ccc(-n2ccnn2)cc1 ZINC000090879877 542538955 /nfs/dbraw/zinc/53/89/55/542538955.db2.gz TUQBYUPKDPIMEX-HUUCEWRRSA-N 2 0 313.449 2.648 20 0 DFADRP COC1(C[NH2+]C2CC[NH+]([C@H]3CCC[C@@H](C)C3)CC2)CCOCC1 ZINC000090653289 542539141 /nfs/dbraw/zinc/53/91/41/542539141.db2.gz IEBIUKSVPKTYCC-AEFFLSMTSA-N 2 0 324.509 2.815 20 0 DFADRP COC[C@H]([NH2+][C@H](C)C1CC[NH+](C)CC1)c1ccc(F)c(F)c1 ZINC000091413748 542541054 /nfs/dbraw/zinc/54/10/54/542541054.db2.gz UDDREUAGWCCQHG-PXAZEXFGSA-N 2 0 312.404 2.972 20 0 DFADRP CO[C@H]1CCC[N@H+](Cc2ccc(OCC[NH+]3CCCC3)cc2)C1 ZINC000091772894 542541562 /nfs/dbraw/zinc/54/15/62/542541562.db2.gz NLMHLAQCCOCQGO-IBGZPJMESA-N 2 0 318.461 2.772 20 0 DFADRP C[C@@H]1C[C@@H]([N@H+](C)Cc2ccc(OCC[NH+](C)C)cc2)CCN1C ZINC000093643823 542553359 /nfs/dbraw/zinc/55/33/59/542553359.db2.gz RMTPEBFDIUYJTP-AEFFLSMTSA-N 2 0 319.493 2.542 20 0 DFADRP C[C@@H]1[C@H](C)SCC[N@@H+]1Cc1ccc(OCC[NH+](C)C)cc1 ZINC000093499748 542553649 /nfs/dbraw/zinc/55/36/49/542553649.db2.gz YBDSGEBEDZPTTD-CABCVRRESA-N 2 0 308.491 2.953 20 0 DFADRP CC[N@@H+](Cc1ccc(OCC[NH+](C)C)cc1)C[C@H]1CCCO1 ZINC000092406911 542547402 /nfs/dbraw/zinc/54/74/02/542547402.db2.gz ZOJWWBKMVSXZLL-GOSISDBHSA-N 2 0 306.450 2.628 20 0 DFADRP CC(C)CN(C(=O)C[C@@H]([NH3+])c1ccccc1)C1CC[NH+](C)CC1 ZINC000423737476 296442597 /nfs/dbraw/zinc/44/25/97/296442597.db2.gz BCAGKVIURQXQHT-GOSISDBHSA-N 2 0 317.477 2.655 20 0 DFADRP C[NH2+][C@H](CC(C)(C)C)C(=O)N(CC(C)C)C1CC[NH+](C)CC1 ZINC000423738064 296442652 /nfs/dbraw/zinc/44/26/52/296442652.db2.gz BLEXZUKWWKBXBP-MRXNPFEDSA-N 2 0 311.514 2.589 20 0 DFADRP O[C@@H]1c2ccccc2C[C@H]1[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000182792150 285340024 /nfs/dbraw/zinc/34/00/24/285340024.db2.gz NLFRKBZUGZCLMC-QXAKKESOSA-N 2 0 300.446 2.595 20 0 DFADRP C[C@H]([NH2+]C[C@@H]1CCCN1Cc1ccccc1)C1CC[NH+](C)CC1 ZINC000119134191 542570076 /nfs/dbraw/zinc/57/00/76/542570076.db2.gz OLOBADVFSSEBDA-PXNSSMCTSA-N 2 0 315.505 2.971 20 0 DFADRP CCN(C(=O)c1ccc(C[NH+](CC)CC)cc1)[C@@H]1CC[N@H+](C)C1 ZINC000617551018 399731931 /nfs/dbraw/zinc/73/19/31/399731931.db2.gz JHTODDDJDGMYRJ-GOSISDBHSA-N 2 0 317.477 2.695 20 0 DFADRP C[NH+](C)Cc1ccc(C[NH2+][C@@H]2CCO[C@@H](C(F)(F)F)C2)cc1 ZINC000348100223 285348978 /nfs/dbraw/zinc/34/89/78/285348978.db2.gz FNTPZHOPAUIKFJ-HUUCEWRRSA-N 2 0 316.367 2.948 20 0 DFADRP C[C@@H]([NH2+]CCC[NH+]1CCCCC1)c1cccc(-n2ccnn2)c1 ZINC000348102436 285350164 /nfs/dbraw/zinc/35/01/64/285350164.db2.gz KOKAOCUJVCDEQK-MRXNPFEDSA-N 2 0 313.449 2.794 20 0 DFADRP COc1ccccc1N1CC[C@@H]([NH2+][C@@H](C)C2CC[NH+](C)CC2)C1 ZINC000119718211 542575176 /nfs/dbraw/zinc/57/51/76/542575176.db2.gz LFRUBDWVTVNOGQ-DOTOQJQBSA-N 2 0 317.477 2.594 20 0 DFADRP CC[C@@H]1CC[C@@H]1[NH2+][C@H]1CCN(Cc2ccccc2)C[C@H]1CO ZINC000348110501 285355554 /nfs/dbraw/zinc/35/55/54/285355554.db2.gz MYFMDAVFEAGKLB-XWSJACJDSA-N 2 0 302.462 2.648 20 0 DFADRP C[NH+](C)C[C@H](NC(=O)CC[C@H]1CCC[NH2+]1)c1ccc(Cl)cc1 ZINC000423768785 296445457 /nfs/dbraw/zinc/44/54/57/296445457.db2.gz FRNULFFAIMRSIO-CVEARBPZSA-N 2 0 323.868 2.591 20 0 DFADRP CCOc1cccc(C[N@H+](C)CC2CC[NH+](C[C@H](C)O)CC2)c1 ZINC000121078744 195291013 /nfs/dbraw/zinc/29/10/13/195291013.db2.gz HPWMXWROWCGRBQ-INIZCTEOSA-N 2 0 320.477 2.610 20 0 DFADRP CCC(O)(CC)C[NH2+][C@@H](C)c1cccc(OCC[NH+](C)C)c1 ZINC000121905157 195372566 /nfs/dbraw/zinc/37/25/66/195372566.db2.gz UFTMOARPQGFMJY-HNNXBMFYSA-N 2 0 308.466 2.829 20 0 DFADRP Cc1cc(C[NH+](C)C)cc(NC(=O)[C@@H]([NH3+])Cc2ccccc2)c1 ZINC000423785464 296447537 /nfs/dbraw/zinc/44/75/37/296447537.db2.gz ODVJKUXRXIEKBI-SFHVURJKSA-N 2 0 311.429 2.565 20 0 DFADRP Cc1nn(C)c2sc([C@@H](C)[NH2+]CC3CC[NH+](C)CC3)cc12 ZINC000348129435 285369161 /nfs/dbraw/zinc/36/91/61/285369161.db2.gz YUBVJJWZMVWSIV-GFCCVEGCSA-N 2 0 306.479 2.936 20 0 DFADRP COC[C@H]([NH2+]CC1(SC)CC[NH+](C)CC1)C1CCCC1 ZINC000353627451 285398562 /nfs/dbraw/zinc/39/85/62/285398562.db2.gz WETNENBGGSFWIZ-HNNXBMFYSA-N 2 0 300.512 2.609 20 0 DFADRP COc1ccc2c(c1)C[C@@H]([NH2+]C1C[C@H]3CC[C@@H](C1)[N@H+]3C)CC2 ZINC000295036153 533265807 /nfs/dbraw/zinc/26/58/07/533265807.db2.gz OGDCRHPWHFITKG-OOKSDGMUSA-N 2 0 300.446 2.767 20 0 DFADRP C/C(=C/c1ccccc1)C[NH2+]CCN1CCC([NH+](C)C)CC1 ZINC000255491146 533391643 /nfs/dbraw/zinc/39/16/43/533391643.db2.gz QNGWLRXMWVFPQY-ICFOKQHNSA-N 2 0 301.478 2.706 20 0 DFADRP C[C@@H](CC(C)(C)C)[NH2+]Cc1cccc(C(=O)NCC[NH+](C)C)c1 ZINC000294983748 533468774 /nfs/dbraw/zinc/46/87/74/533468774.db2.gz HCGVTFOCJVRFRM-HNNXBMFYSA-N 2 0 319.493 2.892 20 0 DFADRP COc1ccc(CC[C@@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc1O ZINC000294724898 533505881 /nfs/dbraw/zinc/50/58/81/533505881.db2.gz CWSAOWSLLVKYND-HZTRTUMWSA-N 2 0 318.461 2.937 20 0 DFADRP COc1cccc(C[C@H]([NH2+]C[C@@H]2CCC[N@H+](C)C2)C2CC2)c1 ZINC000121326780 542584439 /nfs/dbraw/zinc/58/44/39/542584439.db2.gz UNIQIDBHUMLDEA-LPHOPBHVSA-N 2 0 302.462 2.948 20 0 DFADRP CCCc1ccc(C[NH2+]CCCN2CC[NH+](CC)CC2)s1 ZINC000621328740 399755351 /nfs/dbraw/zinc/75/53/51/399755351.db2.gz BGQQWEYDVNYCEB-UHFFFAOYSA-N 2 0 309.523 2.818 20 0 DFADRP C[C@@H]([NH2+][C@@H](C)c1ccc2c(c1)OCCO2)C1CC[NH+](C)CC1 ZINC000122017831 542588545 /nfs/dbraw/zinc/58/85/45/542588545.db2.gz CDKAEUWRSXBVLE-KGLIPLIRSA-N 2 0 304.434 2.839 20 0 DFADRP C[NH+](C)[C@H]1C[C@@H](C[NH2+]Cc2ccnn2CCc2ccccc2)C1 ZINC000621369348 399772372 /nfs/dbraw/zinc/77/23/72/399772372.db2.gz LWIONLIFFVAADH-IZAXUBKRSA-N 2 0 312.461 2.556 20 0 DFADRP CCC[NH+]1CCC([NH2+]CCc2csc(N3CCCC3)n2)CC1 ZINC000129427200 542623867 /nfs/dbraw/zinc/62/38/67/542623867.db2.gz WTQYBCSWVRLGDA-UHFFFAOYSA-N 2 0 322.522 2.750 20 0 DFADRP C[NH+](C)[C@H](CNC(=O)C[N@H+](C)C1CCC1)c1ccc(Cl)cc1 ZINC000629965525 399772477 /nfs/dbraw/zinc/77/24/77/399772477.db2.gz FVCFSQSQCGEGLX-MRXNPFEDSA-N 2 0 323.868 2.543 20 0 DFADRP CC(C)c1ccc([C@@H]([NH3+])CNC(=O)[C@@H](C(C)C)[NH+](C)C)cc1 ZINC000151956134 542671743 /nfs/dbraw/zinc/67/17/43/542671743.db2.gz NETFAILIECMIIS-DLBZAZTESA-N 2 0 305.466 2.512 20 0 DFADRP COCCOc1cccc(C[NH2+][C@@H](C)C2CC[NH+](C)CC2)c1 ZINC000163029614 542741267 /nfs/dbraw/zinc/74/12/67/542741267.db2.gz VRUDIHFPHBUDPM-HNNXBMFYSA-N 2 0 306.450 2.532 20 0 DFADRP CC[N@H+](Cc1ccc(C(=O)NCC[C@H](C)[NH+](C)C)cc1)C(C)C ZINC000617752255 399790003 /nfs/dbraw/zinc/79/00/03/399790003.db2.gz KVOAOYKHFHCNML-INIZCTEOSA-N 2 0 319.493 2.987 20 0 DFADRP CN(CCC[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccccc1F ZINC000166251516 542749426 /nfs/dbraw/zinc/74/94/26/542749426.db2.gz VTOXNQPJIUBDRA-HZPDHXFCSA-N 2 0 305.441 2.868 20 0 DFADRP Cc1ccc([C@H](CN[C@H]2CC[N@@H+]3CCC[C@@H]3C2)[NH+]2CCCC2)o1 ZINC000166436141 542751597 /nfs/dbraw/zinc/75/15/97/542751597.db2.gz XBCXBJWYHXWZIL-KSZLIROESA-N 2 0 317.477 2.941 20 0 DFADRP C[C@H]([NH2+][C@@H]1CCN(c2c(F)cccc2F)C1)C1CC[NH+](C)CC1 ZINC000167515321 542753543 /nfs/dbraw/zinc/75/35/43/542753543.db2.gz DNFXYRQDOKATHW-DZGCQCFKSA-N 2 0 323.431 2.863 20 0 DFADRP C[NH2+]C[C@H](C)C(=O)NCC1([NH2+][C@H](C)c2ccccc2)CCCC1 ZINC000168664543 542754153 /nfs/dbraw/zinc/75/41/53/542754153.db2.gz GGGNOIMKYATRHE-JKSUJKDBSA-N 2 0 317.477 2.622 20 0 DFADRP C[NH+](C)CCCOc1cccc(NC(=O)C2([NH3+])CCCCC2)c1 ZINC000168773350 542754826 /nfs/dbraw/zinc/75/48/26/542754826.db2.gz JXGOZWJABWLKGT-UHFFFAOYSA-N 2 0 319.449 2.617 20 0 DFADRP C[NH+](C)CCc1ccccc1NC(=O)N1CCCCC[C@H]([NH3+])C1 ZINC000632937595 399800767 /nfs/dbraw/zinc/80/07/67/399800767.db2.gz JMRTVNSTCRSZQJ-INIZCTEOSA-N 2 0 318.465 2.526 20 0 DFADRP C[C@@H]1C[N@H+](Cc2ccc(OCC[NH+](C)C)cc2)[C@H](C)[C@@H](C)O1 ZINC000682168455 545812123 /nfs/dbraw/zinc/81/21/23/545812123.db2.gz ARFUTLMXXDLGIM-BZUAXINKSA-N 2 0 306.450 2.625 20 0 DFADRP C[C@@H]1CCN(C(=O)CC[C@H]([NH3+])CC2CCCCC2)C[C@H]1C[NH3+] ZINC000424209227 296493341 /nfs/dbraw/zinc/49/33/41/296493341.db2.gz ZKNFTZBXUFITMI-OIISXLGYSA-N 2 0 309.498 2.508 20 0 DFADRP Cc1ccc(C[NH2+]CCCN2CCC[N@@H+](C)CC2)cc1Cl ZINC000195441538 542865456 /nfs/dbraw/zinc/86/54/56/542865456.db2.gz HWPVXFLWBZCVKN-UHFFFAOYSA-N 2 0 309.885 2.766 20 0 DFADRP CC[N@@H+]1CC[C@H]([NH2+][C@H](C)[C@@H](C)NC(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000496196220 300028436 /nfs/dbraw/zinc/02/84/36/300028436.db2.gz AJNVNSWCTGFVLB-YJNKXOJESA-N 2 0 313.486 2.608 20 0 DFADRP C[C@H]1CCC[N@H+](Cc2ccc(NC(=O)CC(C)(C)[NH3+])cc2)C1 ZINC000237503219 542902823 /nfs/dbraw/zinc/90/28/23/542902823.db2.gz LOLUAXAJSGKBRN-AWEZNQCLSA-N 2 0 303.450 2.984 20 0 DFADRP Cc1ccc([C@@H](CNC(=O)CC2([NH3+])CCC2)[NH+]2CCCC2)cc1 ZINC000237876897 542906890 /nfs/dbraw/zinc/90/68/90/542906890.db2.gz QTFWMCVXTHUTSM-QGZVFWFLSA-N 2 0 315.461 2.520 20 0 DFADRP CC(C)[N@H+](C)Cc1ccccc1CNC(=O)C1CCC([NH3+])CC1 ZINC000621502457 399819125 /nfs/dbraw/zinc/81/91/25/399819125.db2.gz SGGOYUZWWZBQKQ-UHFFFAOYSA-N 2 0 317.477 2.661 20 0 DFADRP c1ccc(C[N@@H+](C[C@@H]2CCSC2)[C@@H]2CCC[NH2+]CC2)nc1 ZINC000261650377 542952837 /nfs/dbraw/zinc/95/28/37/542952837.db2.gz BAPWCTISTPUYDP-DOTOQJQBSA-N 2 0 305.491 2.779 20 0 DFADRP CCN(C(=O)C[C@@H](c1ccccc1)[NH+](C)C)[C@H]1CC[N@H+](CC)C1 ZINC000617924917 399834417 /nfs/dbraw/zinc/83/44/17/399834417.db2.gz BBVBETHKZGMTSO-ROUUACIJSA-N 2 0 317.477 2.622 20 0 DFADRP Cc1cccc(NC(=O)C[C@@H](C)[NH2+]C[C@@H](C)C[NH+](C)C)c1C ZINC000293770348 543021102 /nfs/dbraw/zinc/02/11/02/543021102.db2.gz SPCQCNORGXDVMK-UKRRQHHQSA-N 2 0 305.466 2.808 20 0 DFADRP Cc1cc(C[NH3+])cc(NC(=O)NCCC[NH+]2CCC(C)CC2)c1 ZINC000424432808 296509530 /nfs/dbraw/zinc/50/95/30/296509530.db2.gz CMKFBOORRWDXGU-UHFFFAOYSA-N 2 0 318.465 2.697 20 0 DFADRP c1ccc(C[N@H+]2CC[C@@H](C[NH2+]CCC3CCOCC3)C2)cc1 ZINC000309821769 543065511 /nfs/dbraw/zinc/06/55/11/543065511.db2.gz ZSYRYXAWYQNDCP-IBGZPJMESA-N 2 0 302.462 2.915 20 0 DFADRP COc1cc(C[NH2+][C@@H](C)C2CC[NH+](C)CC2)cc(OC)c1OC ZINC000319613622 543079792 /nfs/dbraw/zinc/07/97/92/543079792.db2.gz NTIBRQZOQWWULI-ZDUSSCGKSA-N 2 0 322.449 2.532 20 0 DFADRP C[C@@H](CCc1ccccc1)[NH+]1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000604388512 399843275 /nfs/dbraw/zinc/84/32/75/399843275.db2.gz HYEHFSULIOJPIM-ICSRJNTNSA-N 2 0 315.505 2.720 20 0 DFADRP CC(C)[N@@H+]1[C@@H]2CC[C@H]1CN(C(=O)CC[NH+]1CCCC[C@@H]1C)CC2 ZINC000339284567 543143649 /nfs/dbraw/zinc/14/36/49/543143649.db2.gz RWDQUKIJDOTRKN-KSZLIROESA-N 2 0 321.509 2.725 20 0 DFADRP CC(C)C([NH2+]CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C)C(C)C ZINC000681217194 545612545 /nfs/dbraw/zinc/61/25/45/545612545.db2.gz OOVZQPJNYXBIDV-KRWDZBQOSA-N 2 0 319.493 2.676 20 0 DFADRP c1ccc(C[NH+]2CCC[C@@H]2CN[C@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000339069647 543139722 /nfs/dbraw/zinc/13/97/22/543139722.db2.gz YUTWNLHHIUMKSL-XUVXKRRUSA-N 2 0 313.489 2.867 20 0 DFADRP C[C@@H]1CCCC[NH+]1CCC(=O)NCC(C)(C)[N@@H+]1CCC[C@H](C)C1 ZINC000339250992 543142008 /nfs/dbraw/zinc/14/20/08/543142008.db2.gz QANLEWJZVZFRLY-DLBZAZTESA-N 2 0 323.525 2.878 20 0 DFADRP CCSc1ccc([C@H](C)[NH2+]CC2(O)CC[NH+](C)CC2)cc1 ZINC000339678107 543146461 /nfs/dbraw/zinc/14/64/61/543146461.db2.gz RKGNKDQICUVSEG-AWEZNQCLSA-N 2 0 308.491 2.906 20 0 DFADRP CC[NH+](C[C@H]1CCCO1)[C@@H](C)CC[N@@H+](CC)C[C@@H]1CCCO1 ZINC000343606527 543168114 /nfs/dbraw/zinc/16/81/14/543168114.db2.gz XLNKJEYRXOCXPH-OKZBNKHCSA-N 2 0 312.498 2.767 20 0 DFADRP CC[NH+]1CCC(NC(=O)C[N@H+](C2CC2)C2CCC(C)CC2)CC1 ZINC000052103883 425884248 /nfs/dbraw/zinc/88/42/48/425884248.db2.gz HYLUNAJRFVINSK-UHFFFAOYSA-N 2 0 321.509 2.630 20 0 DFADRP O[C@@H]1CC[N@H+](Cc2ccccc2C[NH2+][C@@H]2CC[C@@H]2C2CC2)C1 ZINC000348385282 543184713 /nfs/dbraw/zinc/18/47/13/543184713.db2.gz WAOXBLBNPUPJMZ-GUDVDZBRSA-N 2 0 300.446 2.531 20 0 DFADRP OC[C@@H]1CCC[N@@H+]1Cc1ccccc1C[NH2+][C@@H]1CC[C@H]1C1CC1 ZINC000348386952 543185458 /nfs/dbraw/zinc/18/54/58/543185458.db2.gz XSDSOVRKKQPZPV-SLFFLAALSA-N 2 0 314.473 2.922 20 0 DFADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]C[C@@](C)(CO)Cc1ccccc1 ZINC000357815037 543264118 /nfs/dbraw/zinc/26/41/18/543264118.db2.gz VESMVOSHUFHWQY-FPAYPSAMSA-N 2 0 304.478 2.546 20 0 DFADRP C[C@H](CCNC(=O)C1CCC([NH3+])CC1)[N@H+](C)Cc1ccccc1 ZINC000379682722 543297253 /nfs/dbraw/zinc/29/72/53/543297253.db2.gz YJLHJGUNSUIYDG-FAEJEUNOSA-N 2 0 317.477 2.531 20 0 DFADRP C[C@@H](CCNC(=O)CCC(C)(C)[NH3+])[N@H+](C)Cc1ccccc1 ZINC000379673655 543297322 /nfs/dbraw/zinc/29/73/22/543297322.db2.gz RHYQHNPSZYVHOC-HNNXBMFYSA-N 2 0 305.466 2.531 20 0 DFADRP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCCN(C)C2)CCN1Cc1ccccc1 ZINC000379642525 543297518 /nfs/dbraw/zinc/29/75/18/543297518.db2.gz AEZYGEDYIVZTCO-NZSAHSFTSA-N 2 0 301.478 2.723 20 0 DFADRP C[C@H]([NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccc2[nH]c(=O)[nH]c2c1 ZINC000378903930 543296800 /nfs/dbraw/zinc/29/68/00/543296800.db2.gz YDHJRXOGGUEBHV-FPMFFAJLSA-N 2 0 300.406 2.546 20 0 DFADRP C[C@@H]([NH2+]C[C@@H]1CC[N@H+](CCc2ccccc2)C1)C1CCOCC1 ZINC000165347230 145229006 /nfs/dbraw/zinc/22/90/06/145229006.db2.gz JCAVKIUHBRDUSB-MJGOQNOKSA-N 2 0 316.489 2.956 20 0 DFADRP CC1CC[NH+](C[C@H]2CCCN(C(=O)CCCCCC[NH3+])C2)CC1 ZINC000166435186 145234760 /nfs/dbraw/zinc/23/47/60/145234760.db2.gz LXRWCJZMISHWHM-GOSISDBHSA-N 2 0 323.525 2.866 20 0 DFADRP Cc1nn(-c2ccc(F)cc2)c(C)c1C[NH2+][C@H]1CCC[C@@H]([NH3+])C1 ZINC000414921039 543327835 /nfs/dbraw/zinc/32/78/35/543327835.db2.gz DZPVGVDMSAOORV-CVEARBPZSA-N 2 0 316.424 2.988 20 0 DFADRP Cc1nn(-c2cccc(F)c2)cc1C[NH2+][C@H]1CCC[C@H]([NH3+])C1 ZINC000414916802 543327969 /nfs/dbraw/zinc/32/79/69/543327969.db2.gz PCYVKLCNYDVYOA-HOTGVXAUSA-N 2 0 302.397 2.679 20 0 DFADRP Cc1ccc(NC(=O)C[C@H](C)[NH2+][C@H]2CCC[C@H]([NH3+])C2)c(C)c1 ZINC000414932957 543328460 /nfs/dbraw/zinc/32/84/60/543328460.db2.gz WGAQSELTOLEVTJ-JYJNAYRXSA-N 2 0 303.450 2.880 20 0 DFADRP C[C@H](C[NH2+]CCC[NH3+])Sc1ccc(Br)cc1 ZINC000415084207 543328710 /nfs/dbraw/zinc/32/87/10/543328710.db2.gz GCLILPZUKJNDKT-SNVBAGLBSA-N 2 0 303.269 2.868 20 0 DFADRP CCOc1ccc(Oc2cc(C[NH2+]CCC[NH3+])ccn2)cc1 ZINC000415106166 543328850 /nfs/dbraw/zinc/32/88/50/543328850.db2.gz MSLPXIDPNPVSRN-UHFFFAOYSA-N 2 0 301.390 2.711 20 0 DFADRP C[NH+]1CCN(c2cc[nH+]c(NCc3cccc(F)c3)c2)CC1 ZINC000630960708 399954015 /nfs/dbraw/zinc/95/40/15/399954015.db2.gz YJTDNGZYFSKSBA-UHFFFAOYSA-N 2 0 300.381 2.585 20 0 DFADRP O=c1ccc(C[NH2+][C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]23)c[nH]1 ZINC000631112825 399982860 /nfs/dbraw/zinc/98/28/60/399982860.db2.gz XZWDQJSGBHFGNS-GUDVDZBRSA-N 2 0 323.440 2.787 20 0 DFADRP Cc1cc(C)c(/C=C\C[NH2+]C[C@H](C)N2CC[NH+](C)CC2)cc1C ZINC000631065381 399972884 /nfs/dbraw/zinc/97/28/84/399972884.db2.gz QWCKUYPDKAEXSQ-RURPWVQCSA-N 2 0 315.505 2.851 20 0 DFADRP CC[NH+]1CCC(CC[NH2+]Cc2cccc(NC(C)=O)c2)CC1 ZINC000631078514 399976278 /nfs/dbraw/zinc/97/62/78/399976278.db2.gz HOHLAQJFLXPATA-UHFFFAOYSA-N 2 0 303.450 2.857 20 0 DFADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1ccc(=O)[nH]c1 ZINC000631082858 399977139 /nfs/dbraw/zinc/97/71/39/399977139.db2.gz IQGYBSMQQZBVRL-CRAIPNDOSA-N 2 0 311.429 2.787 20 0 DFADRP C[N@@H+]1CCCC[C@@H](CNC(=O)c2ccc(-c3c[nH]cn3)cc2)C1 ZINC000633678466 399933808 /nfs/dbraw/zinc/93/38/08/399933808.db2.gz DXCCOSLXBXYKJU-AWEZNQCLSA-N 2 0 312.417 2.538 20 0 DFADRP CCC(O)(CC)C[N@H+](C)Cc1cn(-c2cc[nH+]cc2)nc1C ZINC000628479968 400035705 /nfs/dbraw/zinc/03/57/05/400035705.db2.gz RITPXCFTXYIJBG-UHFFFAOYSA-N 2 0 302.422 2.559 20 0 DFADRP CCN(C(=O)Nc1cccc(C[NH+](C)C)c1)C1CC[NH+](C)CC1 ZINC000631474395 400041655 /nfs/dbraw/zinc/04/16/55/400041655.db2.gz BMPGXYAZNHSFKY-UHFFFAOYSA-N 2 0 318.465 2.696 20 0 DFADRP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@@H+]2Cc1ccc2[nH]ccc2c1 ZINC000628191096 399999286 /nfs/dbraw/zinc/99/92/86/399999286.db2.gz ZOUJULPZFICWJE-NEWSRXKRSA-N 2 0 313.445 2.851 20 0 DFADRP CC[C@@H]1C[C@H]([NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)CO1 ZINC000631194539 400000397 /nfs/dbraw/zinc/00/03/97/400000397.db2.gz LYTDIDYFRLNLGD-WZGPROSRSA-N 2 0 302.462 2.912 20 0 DFADRP CC[C@@H]1C[C@H]([NH2+]C[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)CO1 ZINC000631194541 400000448 /nfs/dbraw/zinc/00/04/48/400000448.db2.gz LYTDIDYFRLNLGD-XGXHKWSGSA-N 2 0 302.462 2.912 20 0 DFADRP CC[NH+]1CCN([C@H](C)C[NH2+]C[C@@H](C)c2ccc(C)cc2)CC1 ZINC000628202419 400000582 /nfs/dbraw/zinc/00/05/82/400000582.db2.gz SXRQJWXJXKNXSC-QZTJIDSGSA-N 2 0 303.494 2.714 20 0 DFADRP Cc1ccc([C@H](C)C[NH2+]CCCC[NH+]2CCN(C)CC2)cc1 ZINC000628202328 400000593 /nfs/dbraw/zinc/00/05/93/400000593.db2.gz PEPBSVBJFXZQOV-GOSISDBHSA-N 2 0 303.494 2.716 20 0 DFADRP Cc1n[nH]c(C)c1C[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000631195837 400001277 /nfs/dbraw/zinc/00/12/77/400001277.db2.gz KNTHPZZGIUXPFM-RDTXWAMCSA-N 2 0 312.461 2.884 20 0 DFADRP CC[C@@H]1CCCC[C@@H]1C[NH2+][C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000628214293 400003151 /nfs/dbraw/zinc/00/31/51/400003151.db2.gz RTEZOWNHYCCMHD-KURKYZTESA-N 2 0 307.526 2.961 20 0 DFADRP C[C@H]1C[NH+](CCCC[NH2+]Cc2cnc(C3CC3)o2)C[C@H](C)O1 ZINC000628218303 400003542 /nfs/dbraw/zinc/00/35/42/400003542.db2.gz ARLUJFGZCHXRDY-KBPBESRZSA-N 2 0 307.438 2.531 20 0 DFADRP C[C@@H]([NH2+]Cc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1)C1CC(F)(F)C1 ZINC000628337278 400022415 /nfs/dbraw/zinc/02/24/15/400022415.db2.gz ATDISPLRWPCRPV-DYVFJYSZSA-N 2 0 324.415 2.777 20 0 DFADRP c1ccc2nc(C[NH2+]CC3CC[NH+](CC4CC4)CC3)cnc2c1 ZINC000628352875 400025097 /nfs/dbraw/zinc/02/50/97/400025097.db2.gz XPDZLQRMUPOMPN-UHFFFAOYSA-N 2 0 310.445 2.841 20 0 DFADRP c1cc(C[N@@H+]2CC[C@H]3CC[C@@H](C2)S3)n(-c2cc[nH+]cc2)n1 ZINC000628423331 400031234 /nfs/dbraw/zinc/03/12/34/400031234.db2.gz OBVGBFBMORCLQH-CVEARBPZSA-N 2 0 300.431 2.737 20 0 DFADRP CC[N@H+](C)[C@@H](C(=O)NC[C@@H]1CCCC[NH+](C)C1)c1ccccc1 ZINC000628757220 400053940 /nfs/dbraw/zinc/05/39/40/400053940.db2.gz ZZNVCVDGINIBJR-FUHWJXTLSA-N 2 0 317.477 2.528 20 0 DFADRP COc1cccc2c1OCCC[C@@H]2[NH2+]CC1CC[NH+](C)CC1 ZINC000631578501 400054215 /nfs/dbraw/zinc/05/42/15/400054215.db2.gz UWNTWFNRKNXDOK-INIZCTEOSA-N 2 0 304.434 2.840 20 0 DFADRP COc1cccc2c1OCCC[C@H]2[NH2+]CC1=CC[N@H+](C)CC1 ZINC000631605808 400057732 /nfs/dbraw/zinc/05/77/32/400057732.db2.gz GYLKLKDRUXXPGY-MRXNPFEDSA-N 2 0 302.418 2.760 20 0 DFADRP CC[C@@H]1[C@@H](C(=O)Nc2cc(C[NH+](C)C)ccc2C)CC[N@@H+]1C ZINC000631624504 400059328 /nfs/dbraw/zinc/05/93/28/400059328.db2.gz BAYJZSWAEBWZRN-DOTOQJQBSA-N 2 0 303.450 2.725 20 0 DFADRP C[C@H](CCCCO)[NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000631664315 400063967 /nfs/dbraw/zinc/06/39/67/400063967.db2.gz NPSKFOOJONCONB-YQVWRLOYSA-N 2 0 304.478 2.895 20 0 DFADRP CC(C)[C@H]1CN([C@@H]2C[C@H](C)[NH+](Cc3ccccc3)C2)CC[N@@H+]1C ZINC000631793438 400075664 /nfs/dbraw/zinc/07/56/64/400075664.db2.gz GZZJVDUXHUFEKR-DFQSSKMNSA-N 2 0 315.505 2.921 20 0 DFADRP c1cc(C[N@@H+]2CCCC[C@@H]2[C@H]2CC[NH2+]C2)c2c(c1)COCC2 ZINC000631827664 400078215 /nfs/dbraw/zinc/07/82/15/400078215.db2.gz UFGVPWYRPBLJQC-HNAYVOBHSA-N 2 0 300.446 2.723 20 0 DFADRP FC1(F)CC[C@H](C[NH+]2CCC(CO[C@H]3CC[NH2+]C3)CC2)C1 ZINC000631830374 400078333 /nfs/dbraw/zinc/07/83/33/400078333.db2.gz QKRSGXMDQLHCGY-GJZGRUSLSA-N 2 0 302.409 2.512 20 0 DFADRP COc1cccc(CC2CC[NH+](CC[C@H]3CC[NH2+]C3)CC2)c1 ZINC000631835920 400078718 /nfs/dbraw/zinc/07/87/18/400078718.db2.gz IHSQLLUIYNWIMN-QGZVFWFLSA-N 2 0 302.462 2.949 20 0 DFADRP CCC[NH+]1CCC(C[NH2+]Cc2ccc(N(C)CC)nc2)CC1 ZINC000190955004 145872912 /nfs/dbraw/zinc/87/29/12/145872912.db2.gz KBDAHIQMJJFPAZ-UHFFFAOYSA-N 2 0 304.482 2.749 20 0 DFADRP C[C@H]([NH2+]CCOCC[NH+](C)C)c1cccc(C(F)(F)F)c1 ZINC000219323875 146000561 /nfs/dbraw/zinc/00/05/61/146000561.db2.gz LNOXSQBMDZOVNY-LBPRGKRZSA-N 2 0 304.356 2.934 20 0 DFADRP CC(C)([NH3+])CC(=O)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000236839160 146030536 /nfs/dbraw/zinc/03/05/36/146030536.db2.gz YTXKUFUDXNIVLX-UHFFFAOYSA-N 2 0 323.868 2.548 20 0 DFADRP C[C@H](C(=O)NC1CC[NH+](C(C)(C)C)CC1)[NH+]1[C@H](C)CC[C@H]1C ZINC000245200349 146063187 /nfs/dbraw/zinc/06/31/87/146063187.db2.gz AIDROUOLONDNSG-RBSFLKMASA-N 2 0 309.498 2.627 20 0 DFADRP C[N@@H+]1CCC[C@H]1CC[NH+]1CCC(OC[C@H]2CCCCO2)CC1 ZINC000245590635 146085219 /nfs/dbraw/zinc/08/52/19/146085219.db2.gz GGERRKVELQDFOZ-FUHWJXTLSA-N 2 0 310.482 2.521 20 0 DFADRP C[C@@H](CCCO)[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000245745674 146099329 /nfs/dbraw/zinc/09/93/29/146099329.db2.gz SLVJVFQQFYZMGG-KANFNMMFSA-N 2 0 302.462 2.933 20 0 DFADRP CC[N@@H+]1CC[C@H]([NH+](C)Cc2c[nH]nc2-c2cccnc2)[C@@H](C)C1 ZINC000245739344 146099979 /nfs/dbraw/zinc/09/99/79/146099979.db2.gz LJWGWSDZTIIHJT-YOEHRIQHSA-N 2 0 313.449 2.634 20 0 DFADRP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccc(OCCOC)cc2)[C@@H](C)C1 ZINC000245772301 146100559 /nfs/dbraw/zinc/10/05/59/146100559.db2.gz SBLSNKRZWMVNRD-LPHOPBHVSA-N 2 0 320.477 2.874 20 0 DFADRP CC[NH+](CC)[C@H](C(=O)N[C@H]1CCC[N@H+](CC)C1)c1ccccc1 ZINC000245906630 146108817 /nfs/dbraw/zinc/10/88/17/146108817.db2.gz NASWGGMFXUCZGM-ROUUACIJSA-N 2 0 317.477 2.670 20 0 DFADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@@H](C)Oc2cccc(OC)c2)[C@@H](C)C1 ZINC000247104348 146161967 /nfs/dbraw/zinc/16/19/67/146161967.db2.gz OUZXXSNKXXTTBD-DAYGRLMNSA-N 2 0 306.450 2.782 20 0 DFADRP CC[C@@H](c1ccc(F)cc1)[N@@H+]1CC[C@@H](N2CC[NH+](CC)CC2)C1 ZINC000247371670 146167389 /nfs/dbraw/zinc/16/73/89/146167389.db2.gz NWABBTYLJVLQPY-MOPGFXCFSA-N 2 0 319.468 2.989 20 0 DFADRP COC(=O)CCC[NH2+][C@H]1[C@H](C)C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000249297033 146192714 /nfs/dbraw/zinc/19/27/14/146192714.db2.gz NDQAWHNRCKIVAC-MNZLEMJZSA-N 2 0 318.461 2.686 20 0 DFADRP C[C@H](O)C[NH+]1CCC(C[N@H+](C)C/C=C\c2ccc(F)cc2)CC1 ZINC000254916205 146229877 /nfs/dbraw/zinc/22/98/77/146229877.db2.gz MBVFIOHBHMTDOX-QGZUEGPWSA-N 2 0 320.452 2.864 20 0 DFADRP c1cnn(-c2ccccc2C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)c1 ZINC000261621396 146248293 /nfs/dbraw/zinc/24/82/93/146248293.db2.gz AYDCMJASPHYTEK-KZNAEPCWSA-N 2 0 310.445 2.883 20 0 DFADRP CC[C@@H](C)c1ccc(NC(=O)CN2CC[C@@](C)(C[NH3+])C2)cc1 ZINC000261632482 146251099 /nfs/dbraw/zinc/25/10/99/146251099.db2.gz FLYAAIGVLXFZNC-KDOFPFPSSA-N 2 0 303.450 2.809 20 0 DFADRP CCOc1ccccc1OCC[NH+]1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000261650602 146253975 /nfs/dbraw/zinc/25/39/75/146253975.db2.gz FCTRTCVKSXNRIC-QGZVFWFLSA-N 2 0 318.461 2.928 20 0 DFADRP C[C@@H]1C[C@@H](N(C)C[C@@]2(C)CC[NH2+]C2)CC[N@@H+]1Cc1ccccc1 ZINC000261714575 146263776 /nfs/dbraw/zinc/26/37/76/146263776.db2.gz FARWGQQMIYJBGI-HOJAQTOUSA-N 3 0 315.505 2.971 20 0 DFADRP [NH3+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccc(OC(F)(F)F)cc3)C[C@@H]12 ZINC000261716347 146265069 /nfs/dbraw/zinc/26/50/69/146265069.db2.gz PPEGQQJAQXDAFX-MRVWCRGKSA-N 2 0 300.324 2.754 20 0 DFADRP [NH3+]C[C@H]1CC[N@H+](Cc2c[nH]nc2-c2ccc(C(F)(F)F)cc2)C1 ZINC000261749169 146270401 /nfs/dbraw/zinc/27/04/01/146270401.db2.gz CAZFSBQDRMJDET-LLVKDONJSA-N 2 0 324.350 2.876 20 0 DFADRP C[NH2+]CCC1CC[NH+](Cc2cc(C(=O)OC)ccc2Cl)CC1 ZINC000261782313 146275767 /nfs/dbraw/zinc/27/57/67/146275767.db2.gz FOVXKQZOBJZIFE-UHFFFAOYSA-N 2 0 324.852 2.948 20 0 DFADRP [NH3+][C@@H]1CCC[C@H]2C[N@H+](Cc3c[nH]nc3-c3ccsc3)C[C@@H]21 ZINC000261797758 146278884 /nfs/dbraw/zinc/27/88/84/146278884.db2.gz GRPWJEHTYYKEAC-TUKIKUTGSA-N 2 0 302.447 2.697 20 0 DFADRP COc1ccc(CN2C[C@@H](c3ccccc3)[C@H]([NH3+])C2)cc1OC ZINC000261808453 146280578 /nfs/dbraw/zinc/28/05/78/146280578.db2.gz MIKYDNBYPOCRQM-DLBZAZTESA-N 2 0 312.413 2.631 20 0 DFADRP C[NH2+]CC1CC[NH+](Cc2ccc(C)cc2-c2cnn(C)c2)CC1 ZINC000261819451 146283162 /nfs/dbraw/zinc/28/31/62/146283162.db2.gz IHDXKKQBNNCXNG-UHFFFAOYSA-N 2 0 312.461 2.827 20 0 DFADRP COc1c(C)cnc(C[NH+]2CCC([C@@H]3CCC[NH2+]3)CC2)c1C ZINC000261829584 146284723 /nfs/dbraw/zinc/28/47/23/146284723.db2.gz BJOVYRSKCSJZGO-INIZCTEOSA-N 2 0 303.450 2.671 20 0 DFADRP C[C@@H](O)C[N@H+](C[C@@H]1CCC[NH2+]C1)[C@@H](C)Cc1ccc(Cl)cc1 ZINC000261886937 146294854 /nfs/dbraw/zinc/29/48/54/146294854.db2.gz XBFWXKYDNYCSQH-ZMSDIMECSA-N 2 0 324.896 2.953 20 0 DFADRP C[C@@H]([NH3+])C1CC[NH+](CC(=O)N[C@H](C)c2ccccc2Cl)CC1 ZINC000261927455 146303805 /nfs/dbraw/zinc/30/38/05/146303805.db2.gz IZEBJHPJOPOHFG-CHWSQXEVSA-N 2 0 323.868 2.576 20 0 DFADRP C[C@H]([NH3+])C1CC[NH+](CC(=O)N[C@@H](C)c2ccccc2Cl)CC1 ZINC000261927459 146304686 /nfs/dbraw/zinc/30/46/86/146304686.db2.gz IZEBJHPJOPOHFG-STQMWFEESA-N 2 0 323.868 2.576 20 0 DFADRP CCCOc1ccc(OCC[N@@H+]2CCC[C@H](CC[NH3+])C2)cc1 ZINC000261946299 146307464 /nfs/dbraw/zinc/30/74/64/146307464.db2.gz MHRNOWKGAWSSGG-MRXNPFEDSA-N 2 0 306.450 2.915 20 0 DFADRP CC(C)c1cccc(NC(=O)C[N@@H+]2CCC[C@@H](CC[NH3+])C2)c1 ZINC000261971659 146312759 /nfs/dbraw/zinc/31/27/59/146312759.db2.gz QBHQSGVQEOWBFF-HNNXBMFYSA-N 2 0 303.450 2.809 20 0 DFADRP CC[N@H+](CCC1CC[NH+](C[C@@H]2CCC[NH2+]C2)CC1)CC1CC1 ZINC000261976438 146313608 /nfs/dbraw/zinc/31/36/08/146313608.db2.gz QVHQYIMVMYJOLN-LJQANCHMSA-N 2 0 307.526 2.820 20 0 DFADRP COC(=O)c1ccc(Cl)c(C[NH+]2CCC([C@@H](C)[NH3+])CC2)c1 ZINC000261999300 146319901 /nfs/dbraw/zinc/31/99/01/146319901.db2.gz TXGYEDJFWHSDJN-LLVKDONJSA-N 2 0 310.825 2.686 20 0 DFADRP C[NH2+]CCC1CC[NH+]([C@@H](C)C(=O)Nc2c(C)cccc2C)CC1 ZINC000262003790 146321511 /nfs/dbraw/zinc/32/15/11/146321511.db2.gz QQEYRICNQZLRBM-INIZCTEOSA-N 2 0 317.477 2.952 20 0 DFADRP Fc1ccc(-c2n[nH]cc2C[N@@H+]2CCC3(C2)CC[NH2+]CC3)cc1 ZINC000262017659 146321953 /nfs/dbraw/zinc/32/19/53/146321953.db2.gz MWTMCPUJKWWJLM-UHFFFAOYSA-N 2 0 314.408 2.791 20 0 DFADRP CCCOc1ccc(OCC[NH+]2CCC([C@H](C)[NH3+])CC2)cc1 ZINC000262027893 146323936 /nfs/dbraw/zinc/32/39/36/146323936.db2.gz YINVRCOYOYGBQA-HNNXBMFYSA-N 2 0 306.450 2.913 20 0 DFADRP COc1cc(C[NH+]2CCC([C@@H](C)[NH3+])CC2)ccc1OC(F)F ZINC000262033129 146325061 /nfs/dbraw/zinc/32/50/61/146325061.db2.gz ZASGNTRXGSMBGV-LLVKDONJSA-N 2 0 314.376 2.856 20 0 DFADRP COc1ccccc1CC1CC[NH+](C[C@@]2(C)CC[NH2+]C2)CC1 ZINC000262057876 146328371 /nfs/dbraw/zinc/32/83/71/146328371.db2.gz QWIKDYBOYSAQQF-IBGZPJMESA-N 2 0 302.462 2.949 20 0 DFADRP Clc1oc2ccccc2c1C[N@@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000262066552 146329921 /nfs/dbraw/zinc/32/99/21/146329921.db2.gz BGBPDOGNZNBMOF-CYBMUJFWSA-N 2 0 319.836 2.566 20 0 DFADRP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](CCC(=O)Nc3ccccc3Cl)C[C@@H]21 ZINC000262099676 146333168 /nfs/dbraw/zinc/33/31/68/146333168.db2.gz ISSDVUPJBCMQMZ-VNHYZAJKSA-N 2 0 321.852 2.728 20 0 DFADRP C[C@]1(C[NH+]2CCC(OCCc3ccccc3)CC2)CC[NH2+]C1 ZINC000262122279 146336018 /nfs/dbraw/zinc/33/60/18/146336018.db2.gz XKXDUHSUJLYPMS-IBGZPJMESA-N 2 0 302.462 2.710 20 0 DFADRP c1ccc2c(c1)C[C@H](C[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1)O2 ZINC000262326103 146351059 /nfs/dbraw/zinc/35/10/59/146351059.db2.gz RQDNJUXMYZZKBZ-VSZNYVQBSA-N 2 0 300.446 2.891 20 0 DFADRP C[NH+](C)C1(CNC(=O)CC2(C[NH3+])CCCCC2)CCCCC1 ZINC000262328597 146351699 /nfs/dbraw/zinc/35/16/99/146351699.db2.gz SBFUXKOKKJOHLY-UHFFFAOYSA-N 2 0 309.498 2.666 20 0 DFADRP COc1ccc(C[N@@H+]2CC[C@@H](C)[C@H](C[NH3+])C2)cc1OC(F)F ZINC000262420277 146357869 /nfs/dbraw/zinc/35/78/69/146357869.db2.gz DYVAVFSOMFMWJD-DGCLKSJQSA-N 2 0 314.376 2.713 20 0 DFADRP CC(C)c1ccc([C@@H]([NH3+])CNC(=O)[C@@H]([NH3+])c2ccccc2)cc1 ZINC000262445885 146359878 /nfs/dbraw/zinc/35/98/78/146359878.db2.gz PLPUKPRFXCKXJG-ROUUACIJSA-N 2 0 311.429 2.626 20 0 DFADRP Fc1ccc(-c2nc(CN3CC[C@@H]4C[NH2+]C[C@H]4C3)co2)cc1 ZINC000262534954 146369031 /nfs/dbraw/zinc/36/90/31/146369031.db2.gz QGFBTVYIMONUJZ-KGLIPLIRSA-N 2 0 301.365 2.522 20 0 DFADRP CCC[C@](C)([NH3+])C(=O)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000262565482 146372700 /nfs/dbraw/zinc/37/27/00/146372700.db2.gz LDVDMXLTBSDBEQ-SFHVURJKSA-N 2 0 309.498 2.619 20 0 DFADRP Cc1ccc(C[NH+](C)C)cc1NC(=O)[C@H]1CCCC[C@@]1(C)[NH3+] ZINC000262692963 146383274 /nfs/dbraw/zinc/38/32/74/146383274.db2.gz ARIJIOGJNXNOGU-CRAIPNDOSA-N 2 0 303.450 2.903 20 0 DFADRP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1NC(=O)CCC1CC[NH2+]CC1 ZINC000262911658 146397155 /nfs/dbraw/zinc/39/71/55/146397155.db2.gz FTKIFLIKIISKPP-ROUUACIJSA-N 2 0 323.525 2.783 20 0 DFADRP CC[N@@H+]1CC[C@H]([NH+](C)C[C@@H](O)COc2cccc(C)c2)C[C@@H]1C ZINC000354533410 147069624 /nfs/dbraw/zinc/06/96/24/147069624.db2.gz COOBCLWNUYLOEB-OKZBNKHCSA-N 2 0 320.477 2.539 20 0 DFADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N1CCC[C@H]([NH+]2[C@H](C)CC[C@H]2C)C1 ZINC000354812200 147160749 /nfs/dbraw/zinc/16/07/49/147160749.db2.gz NNIMLGNGQPYZGJ-ZJPYXAASSA-N 2 0 321.509 2.725 20 0 DFADRP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+]CCc1cccc(C)n1 ZINC000526989451 543429220 /nfs/dbraw/zinc/42/92/20/543429220.db2.gz DUEVNMTTXUWLHI-UHFFFAOYSA-N 2 0 307.401 2.611 20 0 DFADRP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@@H+]2Cc1ccc2c(c1)CCC2 ZINC000355216403 147225902 /nfs/dbraw/zinc/22/59/02/147225902.db2.gz FIAWOEVUFLUNPS-VAMGGRTRSA-N 2 0 314.473 2.859 20 0 DFADRP C[N@@H+]1CCC[C@H]2C[NH+](Cc3cccc(-n4cccn4)c3)CC[C@H]21 ZINC000355225432 147230726 /nfs/dbraw/zinc/23/07/26/147230726.db2.gz RTLNTEFTTGSABZ-PKOBYXMFSA-N 2 0 310.445 2.788 20 0 DFADRP OC[C@@H](CC1CCC1)[NH2+][C@@H]1CCCN(Cc2ccccc2)C1 ZINC000355509394 147342206 /nfs/dbraw/zinc/34/22/06/147342206.db2.gz AXXUICYXYDUFCO-RTBURBONSA-N 2 0 302.462 2.792 20 0 DFADRP CSC1(CNc2cc[nH+]c3ccccc23)CC[NH+](C)CC1 ZINC000357547061 148032650 /nfs/dbraw/zinc/03/26/50/148032650.db2.gz KQAUJMJEPLEQDJ-UHFFFAOYSA-N 2 0 301.459 2.896 20 0 DFADRP C[C@@H]1CN(C)C[C@@H]1[NH2+]CCOc1cccc(C(F)(F)F)c1 ZINC000358020840 148215053 /nfs/dbraw/zinc/21/50/53/148215053.db2.gz MCSARNJRTDAQGL-RISCZKNCSA-N 2 0 302.340 2.624 20 0 DFADRP C[C@@H]1CN(C)C[C@H]1[NH2+]CCOc1cccc(C(F)(F)F)c1 ZINC000358020836 148215698 /nfs/dbraw/zinc/21/56/98/148215698.db2.gz MCSARNJRTDAQGL-BXUZGUMPSA-N 2 0 302.340 2.624 20 0 DFADRP C[C@H](NC1CC[NH+](C2CCCCC2)CC1)C(=O)NC(C)(C)C ZINC000358027510 148217624 /nfs/dbraw/zinc/21/76/24/148217624.db2.gz RVIFSCUENYCBHX-AWEZNQCLSA-N 2 0 309.498 2.676 20 0 DFADRP COc1cc2c(cc1OC)[C@H]([NH+]1CCC(C[NH+](C)C)CC1)CC2 ZINC000637907950 543494637 /nfs/dbraw/zinc/49/46/37/543494637.db2.gz VUOWZOKJSGOMKC-QGZVFWFLSA-N 2 0 318.461 2.965 20 0 DFADRP CC[N@@H+]1CC[C@H]([NH2+]CCCc2ccc3c(c2)OCCO3)[C@@H](C)C1 ZINC000358281864 148317052 /nfs/dbraw/zinc/31/70/52/148317052.db2.gz DCLDKDSDRZATNO-RDJZCZTQSA-N 2 0 318.461 2.710 20 0 DFADRP COc1cc(C)c(C[C@H](C)[NH2+]C[C@@H](C)C[NH+](C)C)cc1OC ZINC000425914063 296604307 /nfs/dbraw/zinc/60/43/07/296604307.db2.gz AUCMELHWWIKMMM-HIFRSBDPSA-N 2 0 308.466 2.731 20 0 DFADRP CC[NH+](CC)CCOCC[NH2+]Cc1ccc(Cl)c(F)c1 ZINC000350319612 286027968 /nfs/dbraw/zinc/02/79/68/286027968.db2.gz PSUQGCMQDKVCHR-UHFFFAOYSA-N 2 0 302.821 2.927 20 0 DFADRP CC[NH+](CC)CCOCC[NH2+]Cc1cccc(Cl)c1F ZINC000350318424 286027999 /nfs/dbraw/zinc/02/79/99/286027999.db2.gz NNTLXKCXKFPREN-UHFFFAOYSA-N 2 0 302.821 2.927 20 0 DFADRP Cc1cccc(C)c1NC(=O)[C@@H](C)[N@@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000358517880 148382013 /nfs/dbraw/zinc/38/20/13/148382013.db2.gz PYLZOODJKSCGMZ-MRXNPFEDSA-N 2 0 315.461 2.706 20 0 DFADRP Fc1ccc(-n2ccc(C[N@@H+]3CCC4(C3)CC[NH2+]CC4)n2)cc1 ZINC000358517996 148382426 /nfs/dbraw/zinc/38/24/26/148382426.db2.gz QTAQIZRMVABHEU-UHFFFAOYSA-N 2 0 314.408 2.587 20 0 DFADRP C[C@@H](CNC(=O)C1(C[NH+](C)C)CCCCC1)C[NH+]1CCCCC1 ZINC000358603902 148395063 /nfs/dbraw/zinc/39/50/63/148395063.db2.gz ROWJAGFVHLPWFC-KRWDZBQOSA-N 2 0 323.525 2.737 20 0 DFADRP CCc1ccc(C[NH+]2CCC(C)(C[NH+]3CCN(C)CC3)CC2)o1 ZINC000350549494 286057001 /nfs/dbraw/zinc/05/70/01/286057001.db2.gz BWMKWCYFQHLWJD-UHFFFAOYSA-N 2 0 319.493 2.692 20 0 DFADRP Cn1nccc1C[N@@H+]1CCCC[C@@H]1[C@@H](C[NH3+])Cc1ccccc1 ZINC000350562258 286060096 /nfs/dbraw/zinc/06/00/96/286060096.db2.gz ZOKMYZHXVKEDJD-IEBWSBKVSA-N 2 0 312.461 2.592 20 0 DFADRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H]2CCOC3(CCC3)C2)[C@@H](C)C1 ZINC000358301918 286064759 /nfs/dbraw/zinc/06/47/59/286064759.db2.gz PRHGAQNSFBGQRA-BZSNNMDCSA-N 2 0 324.509 2.815 20 0 DFADRP CC[NH+]1CCN([C@H](C)C[NH2+][C@H](c2cccnc2)C2CCC2)CC1 ZINC000360837708 148950447 /nfs/dbraw/zinc/95/04/47/148950447.db2.gz QUYSRMDVRUUDGB-APWZRJJASA-N 2 0 316.493 2.538 20 0 DFADRP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]C[C@@H]1CCN(c2ccccc2F)C1 ZINC000360995259 149002829 /nfs/dbraw/zinc/00/28/29/149002829.db2.gz ICBPTUFAYNCUAN-HLLBOEOZSA-N 2 0 305.441 2.582 20 0 DFADRP COC(=O)c1ccc(Cl)c(C[NH2+]CC2CC[NH+](C)CC2)c1 ZINC000361023057 149011535 /nfs/dbraw/zinc/01/15/35/149011535.db2.gz KSFGPTLBEPYYND-UHFFFAOYSA-N 2 0 310.825 2.558 20 0 DFADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1N[C@@H]1CC[NH+]2CCC[C@H]2C1 ZINC000361030787 149012533 /nfs/dbraw/zinc/01/25/33/149012533.db2.gz LQORDIONKPNZNO-LMCOJAPRSA-N 2 0 313.489 2.723 20 0 DFADRP C[C@@H]([NH2+][C@@H]1CCN(C2CC2)C1)c1cccc(OCC[NH+](C)C)c1 ZINC000361075563 149023034 /nfs/dbraw/zinc/02/30/34/149023034.db2.gz HJKMDUJVOSWSLY-NVXWUHKLSA-N 3 0 317.477 2.514 20 0 DFADRP CC[C@@]1(C)COCCN1Cc1cn(-c2cc[nH+]cc2)nc1C ZINC000361165847 149045096 /nfs/dbraw/zinc/04/50/96/149045096.db2.gz LBEJFOIVWHHBRY-KRWDZBQOSA-N 2 0 300.406 2.577 20 0 DFADRP COc1ccc(C(C)(C)C[NH2+][C@@H]2CC[N@H+](C)C[C@@H]2C)cc1OC ZINC000361227494 149060014 /nfs/dbraw/zinc/06/00/14/149060014.db2.gz GDJOCBNUPABGLH-GOEBONIOSA-N 2 0 320.477 2.911 20 0 DFADRP CCc1nocc1C[NH+]1CCC(C[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000350743255 286081110 /nfs/dbraw/zinc/08/11/10/286081110.db2.gz HCNIUOKFIMFAQI-HUUCEWRRSA-N 2 0 321.465 2.558 20 0 DFADRP CC[N@@H+](CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C)CC1CCC1 ZINC000361480935 149126769 /nfs/dbraw/zinc/12/67/69/149126769.db2.gz HWZWADDZJYYDTK-SFHVURJKSA-N 2 0 317.477 2.528 20 0 DFADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CCC2CCOCC2)[C@@H](C)C1 ZINC000361482887 149127627 /nfs/dbraw/zinc/12/76/27/149127627.db2.gz BOGIFNMWQSUXGW-FUHWJXTLSA-N 2 0 312.498 2.530 20 0 DFADRP C[N@H+](CCNC(=O)CC1(C[NH3+])CCCCC1)C1CCCCC1 ZINC000361608580 149167357 /nfs/dbraw/zinc/16/73/57/149167357.db2.gz GOXRIVGNGHPTIV-UHFFFAOYSA-N 2 0 309.498 2.666 20 0 DFADRP CC(C)C[C@H](CCO)C[NH2+]C1CCN(Cc2ccccn2)CC1 ZINC000361805764 149224282 /nfs/dbraw/zinc/22/42/82/149224282.db2.gz WQIGREUAXUNWDS-KRWDZBQOSA-N 2 0 319.493 2.680 20 0 DFADRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H]2C[C@H](OC)C2(C)C)[C@H](C)C1 ZINC000361928918 149257838 /nfs/dbraw/zinc/25/78/38/149257838.db2.gz XRKCPFWHNOAWFM-TWMKSMIVSA-N 2 0 312.498 2.527 20 0 DFADRP C[C@H](CCNC(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C)[NH+](C)C ZINC000667196210 543564365 /nfs/dbraw/zinc/56/43/65/543564365.db2.gz RKMHSZPBCORLNT-CXAGYDPISA-N 2 0 318.465 2.697 20 0 DFADRP Cc1cccc(NC(=O)[C@@H](C)[NH+]2CCC(C[NH+](C)C)CC2)c1C ZINC000350954636 286101871 /nfs/dbraw/zinc/10/18/71/286101871.db2.gz ZXQQZLMVMVMOCS-MRXNPFEDSA-N 2 0 317.477 2.904 20 0 DFADRP c1cn(-c2ccc(C[N@@H+]3C[C@@H]4C[NH+]5CCCC[C@H]5[C@H]4C3)cc2)cn1 ZINC000362925518 149399288 /nfs/dbraw/zinc/39/92/88/149399288.db2.gz JVCDUAZNIZOUJG-HOJAQTOUSA-N 2 0 322.456 2.788 20 0 DFADRP [NH3+][C@@H]1CC[C@H]2C[N@H+](Cc3ccc(OCc4cccnc4)cc3)C[C@H]12 ZINC000351480900 286131053 /nfs/dbraw/zinc/13/10/53/286131053.db2.gz WGJADRQAQBNMIC-YSIASYRMSA-N 2 0 323.440 2.830 20 0 DFADRP CC(C)[NH+]1CCC(NC(=O)C[N@@H+]2C[C@@H]3CCCCCC[C@@H]32)CC1 ZINC000371208184 150004138 /nfs/dbraw/zinc/00/41/38/150004138.db2.gz HBIKFXLIKFTZQE-WMZOPIPTSA-N 2 0 321.509 2.630 20 0 DFADRP Cc1ccc(CC[N@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@H]32)cc1 ZINC000371295591 150018380 /nfs/dbraw/zinc/01/83/80/150018380.db2.gz SRRJBLBZCWWKMD-IPMKNSEASA-N 2 0 302.462 2.721 20 0 DFADRP Cc1ccc(C[N@H+]2CC[C@H](N3CC[NH+](C(C)C)CC3)C2)cc1C ZINC000371331553 150025610 /nfs/dbraw/zinc/02/56/10/150025610.db2.gz IXHKYWNGBKVJSD-FQEVSTJZSA-N 2 0 315.505 2.904 20 0 DFADRP C[NH+]1CCC(N2CC[C@@H]([NH2+][C@H](c3ccccc3)C3CC3)C2)CC1 ZINC000371401523 150038819 /nfs/dbraw/zinc/03/88/19/150038819.db2.gz POIQXRPODXCEIG-UYAOXDASSA-N 2 0 313.489 2.896 20 0 DFADRP C[NH+]1CCC(N2CC[C@H]([NH2+][C@@H](c3ccccc3)C3CC3)C2)CC1 ZINC000371401521 150039410 /nfs/dbraw/zinc/03/94/10/150039410.db2.gz POIQXRPODXCEIG-ICSRJNTNSA-N 2 0 313.489 2.896 20 0 DFADRP Cc1noc(C2CCC([NH2+][C@@H]3CC[N@@H+]4CCC[C@H]4C3)CC2)n1 ZINC000371449759 150049588 /nfs/dbraw/zinc/04/95/88/150049588.db2.gz XAUJUIISCPFAMS-FJBKBRRZSA-N 2 0 304.438 2.621 20 0 DFADRP CC(C)NC(=O)CC[N@H+](C)C1CC[NH+](C2CCC(C)CC2)CC1 ZINC000371498175 150056456 /nfs/dbraw/zinc/05/64/56/150056456.db2.gz WLWAIDGKSOXLST-UHFFFAOYSA-N 2 0 323.525 2.876 20 0 DFADRP C[N@H+](CCCNC(=O)C[C@H]1CCC[NH2+]CC1)C1CCCCC1 ZINC000372423541 150170195 /nfs/dbraw/zinc/17/01/95/150170195.db2.gz YMPCDFVDBAFYEV-INIZCTEOSA-N 2 0 309.498 2.537 20 0 DFADRP C[N@H+](CCCn1ccnc1)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000372944014 150205238 /nfs/dbraw/zinc/20/52/38/150205238.db2.gz IIKITXISOJKQNC-UHFFFAOYSA-N 2 0 313.449 2.517 20 0 DFADRP CC(C)(C)[NH+]1CCC([NH2+][C@H]2CC[C@@H](C(=O)N3CCCC3)C2)CC1 ZINC000373899063 150275234 /nfs/dbraw/zinc/27/52/34/150275234.db2.gz IUGDCICJQJEVSN-WBVHZDCISA-N 2 0 321.509 2.630 20 0 DFADRP OCCCC[N@@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000374065702 150300710 /nfs/dbraw/zinc/30/07/10/150300710.db2.gz MOLILFFXLLNSJM-IBGZPJMESA-N 2 0 302.462 2.747 20 0 DFADRP Cc1ccccc1NC(=O)C[N@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000374074310 150303002 /nfs/dbraw/zinc/30/30/02/150303002.db2.gz JQLBRHCNSBOQKO-UHFFFAOYSA-N 2 0 315.461 2.741 20 0 DFADRP COc1cc(C[NH+]2CCC3(C[C@H]3C[N@H+](C)C3CC3)CC2)ccn1 ZINC000374298727 150339419 /nfs/dbraw/zinc/33/94/19/150339419.db2.gz WHYDJEVQGLATPL-INIZCTEOSA-N 2 0 315.461 2.787 20 0 DFADRP C[C@H]1CN(Cc2cccc(Cl)c2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000374332132 150346560 /nfs/dbraw/zinc/34/65/60/150346560.db2.gz RCFBJTGDUSTKFE-YJBOKZPZSA-N 2 0 321.896 2.798 20 0 DFADRP CCC[NH+](CCC)CCCC(=O)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000374431419 150365985 /nfs/dbraw/zinc/36/59/85/150365985.db2.gz XOOLFZVWOUNEIL-SFHVURJKSA-N 2 0 323.525 2.879 20 0 DFADRP CC[NH+](CC)CCO[C@@H]1CC[N@H+](Cc2cc(OC)ccc2F)C1 ZINC000351686402 286193389 /nfs/dbraw/zinc/19/33/89/286193389.db2.gz RRJPKDIMKCZVDU-QGZVFWFLSA-N 2 0 324.440 2.767 20 0 DFADRP Cc1sccc1C[N@@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000351699653 286197271 /nfs/dbraw/zinc/19/72/71/286197271.db2.gz CJJARDYLIWRLMI-PBHICJAKSA-N 2 0 307.507 2.514 20 0 DFADRP C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)C[C@H]2CCC[NH2+]CC2)C1 ZINC000427299728 296652891 /nfs/dbraw/zinc/65/28/91/296652891.db2.gz PNKBYIMHJSRNNH-ZACQAIPSSA-N 2 0 323.525 2.639 20 0 DFADRP C[N@@H+]1CCC[C@H]1CC[NH+]1CC[C@@]2(C1)CCc1ccccc1O2 ZINC000352018056 286271030 /nfs/dbraw/zinc/27/10/30/286271030.db2.gz MZZLCIAAZDTZTM-PKOBYXMFSA-N 2 0 300.446 2.940 20 0 DFADRP CCO[C@@H]1C[C@@H]([NH2+]CCC2CC[NH+](CC)CC2)C12CCOCC2 ZINC000186360580 286280109 /nfs/dbraw/zinc/28/01/09/286280109.db2.gz RQIBPYYAQNEYMD-QZTJIDSGSA-N 2 0 324.509 2.672 20 0 DFADRP Cc1ccc([C@H](CNC(=O)C[N@@H+](C)C(C)C)[NH+]2CCCC2)cc1 ZINC000299443678 292251680 /nfs/dbraw/zinc/25/16/80/292251680.db2.gz ZLSFPKFXMONSHU-SFHVURJKSA-N 2 0 317.477 2.588 20 0 DFADRP CCC[C@H]([NH2+]C(C)C)C(=O)NC[C@H](c1cccs1)[NH+](C)C ZINC000352143412 286303458 /nfs/dbraw/zinc/30/34/58/286303458.db2.gz ZECBHOCENBHYNQ-UONOGXRCSA-N 2 0 311.495 2.634 20 0 DFADRP CCC[C@H]([NH2+]C(C)C)C(=O)N[C@H](C)C[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000352179576 286312959 /nfs/dbraw/zinc/31/29/59/286312959.db2.gz ZHSIZQOGNRXTOJ-VQHPVUNQSA-N 2 0 311.514 2.636 20 0 DFADRP CCC[C@H]([NH2+]C(C)C)C(=O)N[C@H](C)C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000352179575 286313058 /nfs/dbraw/zinc/31/30/58/286313058.db2.gz ZHSIZQOGNRXTOJ-TWMKSMIVSA-N 2 0 311.514 2.636 20 0 DFADRP CC[N@@H+]1CCC[C@@H](C[NH2+]Cc2ccccc2-c2ccnn2C)C1 ZINC000352273769 286333835 /nfs/dbraw/zinc/33/38/35/286333835.db2.gz QEPLKIZLASEWCD-INIZCTEOSA-N 2 0 312.461 2.909 20 0 DFADRP C[C@H]1CCCC[C@@H]1NC(=O)C[N@H+](CCC[NH3+])CC1CCCC1 ZINC000352510504 286393169 /nfs/dbraw/zinc/39/31/69/286393169.db2.gz NTHSVXWLWBIVEO-RDJZCZTQSA-N 2 0 309.498 2.522 20 0 DFADRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@H](c1ccc(F)cn1)C(C)C ZINC000354085616 286443153 /nfs/dbraw/zinc/44/31/53/286443153.db2.gz JTJXCXXPOWXDES-WBVHZDCISA-N 2 0 311.445 2.864 20 0 DFADRP CCC[NH+]1CCC(C[NH2+]Cc2c(OC)cccc2OC)CC1 ZINC000352749664 286457580 /nfs/dbraw/zinc/45/75/80/286457580.db2.gz NQJHHOZINYLZQJ-UHFFFAOYSA-N 2 0 306.450 2.915 20 0 DFADRP C[C@H]([NH2+]CCCCC[NH+]1CCCCC1)C(C)(C)n1cncn1 ZINC000353240265 286588204 /nfs/dbraw/zinc/58/82/04/286588204.db2.gz JDDGJMCGRDFLDA-INIZCTEOSA-N 2 0 307.486 2.648 20 0 DFADRP C[C@H]1CC[C@H](C)[NH+]1CC(=O)NCC[N@H+]1CC=C(C(C)(C)C)CC1 ZINC000354874605 300065254 /nfs/dbraw/zinc/06/52/54/300065254.db2.gz ACRZXCRFWGCPSX-HOTGVXAUSA-N 2 0 321.509 2.654 20 0 DFADRP C[C@H]([NH3+])c1ccc(CNC(=O)[C@@H]2CCCCCC[C@@H]2[NH3+])cc1 ZINC000429507019 296747280 /nfs/dbraw/zinc/74/72/80/296747280.db2.gz BUBRAEDPSXMOBJ-XKQJLSEDSA-N 2 0 303.450 2.620 20 0 DFADRP CC[NH+](CC)CCCC1CC[NH+](CC(=O)NC(C)(C)C)CC1 ZINC000182794508 158006911 /nfs/dbraw/zinc/00/69/11/158006911.db2.gz DIKXBLXUIPZIQF-UHFFFAOYSA-N 2 0 311.514 2.735 20 0 DFADRP C[N@H+](CCN1CCC([NH+]2CCCC2)CC1)Cc1ccc(F)cc1 ZINC000185187719 158047873 /nfs/dbraw/zinc/04/78/73/158047873.db2.gz JEDYNNKQLGDPBL-UHFFFAOYSA-N 2 0 319.468 2.818 20 0 DFADRP CC[N@H+](C)Cc1cccc(C[NH2+][C@@H]2CC[NH+](CC)C[C@@H]2C)c1 ZINC000246873823 158103247 /nfs/dbraw/zinc/10/32/47/158103247.db2.gz CSWCMFWKFPAKHS-QFBILLFUSA-N 3 0 303.494 2.958 20 0 DFADRP CC[NH+]1CCN([C@H](C)C[NH2+][C@H]2c3ccccc3C[C@H]2C)CC1 ZINC000247017353 158112593 /nfs/dbraw/zinc/11/25/93/158112593.db2.gz LNPOBKKYFILTNB-GPMSIDNRSA-N 2 0 301.478 2.536 20 0 DFADRP CC[C@@H](C(=O)N1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1)[NH+](C)C ZINC000247130464 158119288 /nfs/dbraw/zinc/11/92/88/158119288.db2.gz ASLFRIZBISKIRY-AEFFLSMTSA-N 2 0 323.525 2.830 20 0 DFADRP CC[N@@H+]1CC[C@@H](C[NH2+][C@H](C)c2ccc(OC)c(NC(C)=O)c2)C1 ZINC000247117670 158119404 /nfs/dbraw/zinc/11/94/04/158119404.db2.gz QZMFJDMNKARTOP-HIFRSBDPSA-N 2 0 319.449 2.646 20 0 DFADRP CCN1CCC[C@@H]([NH2+][C@H](C)c2cccc(OCC[NH+](C)C)c2)C1 ZINC000247177155 158121855 /nfs/dbraw/zinc/12/18/55/158121855.db2.gz UXOCBZLTVJUFIE-SJLPKXTDSA-N 2 0 319.493 2.762 20 0 DFADRP CC(=O)Nc1ccc(C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)cc1 ZINC000247305255 158127796 /nfs/dbraw/zinc/12/77/96/158127796.db2.gz ZXJHHCZRZOGICO-WMZOPIPTSA-N 2 0 301.434 2.561 20 0 DFADRP C[C@@H]([NH2+]C[C@@H](C)C[C@H](C)O)c1cccc(OCC[NH+](C)C)c1 ZINC000247923567 158151414 /nfs/dbraw/zinc/15/14/14/158151414.db2.gz BLAKIKWWALVVLR-HRCADAONSA-N 2 0 308.466 2.685 20 0 DFADRP CC[N@@H+]1CC[C@H]([NH2+]CCCn2cnc3ccccc32)[C@@H](C)C1 ZINC000247885227 158152180 /nfs/dbraw/zinc/15/21/80/158152180.db2.gz CVWASGWDYBWCLM-HOTGVXAUSA-N 2 0 300.450 2.746 20 0 DFADRP C[C@@H]1C[C@@H](NC[C@H](c2cccs2)[NH+]2CCCC2)CC[N@@H+]1C ZINC000248031291 158157637 /nfs/dbraw/zinc/15/76/37/158157637.db2.gz QMLLMNWKHNCOEB-OWCLPIDISA-N 2 0 307.507 2.957 20 0 DFADRP OC[C@@H]1CCC[N@@H+]1CCCC[NH2+][C@@H](Cc1ccccc1)C1CC1 ZINC000248182116 158165141 /nfs/dbraw/zinc/16/51/41/158165141.db2.gz WPNJMTXFDBFPMM-PMACEKPBSA-N 2 0 316.489 2.834 20 0 DFADRP C[C@H](O)CC[NH2+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000248406454 158173305 /nfs/dbraw/zinc/17/33/05/158173305.db2.gz SJVOZGCFDJLRJE-WZGPROSRSA-N 2 0 302.462 2.648 20 0 DFADRP CC[C@](C)(O)C[NH2+][C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000248417949 158174009 /nfs/dbraw/zinc/17/40/09/158174009.db2.gz RTVHIXHQPCSCDJ-MANSERQUSA-N 2 0 302.462 2.648 20 0 DFADRP C[C@H](C(=O)NCCC[NH+]1CCCC[C@H]1C)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000121976976 298152892 /nfs/dbraw/zinc/15/28/92/298152892.db2.gz QBPHECZQDSFGSZ-WCXIOVBPSA-N 2 0 309.498 2.628 20 0 DFADRP C[C@H](O)[C@](C)(C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C)Cc1ccccc1 ZINC000248755889 158200574 /nfs/dbraw/zinc/20/05/74/158200574.db2.gz CQPBSZMDDBEHBO-VNVJMFPYSA-N 2 0 316.489 2.831 20 0 DFADRP C[N@H+](CC1CCN(c2cc[nH+]cc2)CC1)C[C@@H]1CCCOC1 ZINC000354889286 158242061 /nfs/dbraw/zinc/24/20/61/158242061.db2.gz YWAZAVVHEIUOKZ-KRWDZBQOSA-N 2 0 303.450 2.656 20 0 DFADRP CC(C)[NH+](CCN(C)C(=O)c1cccc(C[NH+](C)C)c1)C(C)C ZINC000357038006 158353471 /nfs/dbraw/zinc/35/34/71/158353471.db2.gz ADUCOHYZSQMSHX-UHFFFAOYSA-N 2 0 319.493 2.939 20 0 DFADRP c1[nH]nc(-c2ccccc2)c1C[NH+]1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000357060915 158359139 /nfs/dbraw/zinc/35/91/39/158359139.db2.gz YPKFNHZVRFVAFG-QGZVFWFLSA-N 2 0 310.445 2.898 20 0 DFADRP CC[NH+]1CCC(NC(=O)C[NH2+][C@H](C)c2ccc(Cl)cc2)CC1 ZINC000357061790 158359282 /nfs/dbraw/zinc/35/92/82/158359282.db2.gz DLDUHYGZJXNDBZ-CYBMUJFWSA-N 2 0 323.868 2.591 20 0 DFADRP c1ccc(CCOCCC[NH+]2CCC([C@@H]3CC[NH2+]C3)CC2)cc1 ZINC000357080856 158361856 /nfs/dbraw/zinc/36/18/56/158361856.db2.gz NGZOSGINXQGQQY-HXUWFJFHSA-N 2 0 316.489 2.957 20 0 DFADRP c1csc(N2CCC([NH2+]C3CC[NH+](C4CCC4)CC3)CC2)n1 ZINC000358678623 158399122 /nfs/dbraw/zinc/39/91/22/158399122.db2.gz MAQIEJQDYHACJJ-UHFFFAOYSA-N 2 0 320.506 2.718 20 0 DFADRP CC[NH2+]CC1CC[NH+]([C@@H](C)C(=O)Nc2ccc(Cl)cc2)CC1 ZINC000430574177 296796080 /nfs/dbraw/zinc/79/60/80/296796080.db2.gz RWSOCYSROWWJQW-ZDUSSCGKSA-N 2 0 323.868 2.989 20 0 DFADRP Cc1ccc(C)c(NC(=O)[C@@H](C)[NH+]2CCC([C@@H](C)[NH3+])CC2)c1 ZINC000430919504 296812114 /nfs/dbraw/zinc/81/21/14/296812114.db2.gz QUSMUMZXLKKXDG-HUUCEWRRSA-N 2 0 303.450 2.690 20 0 DFADRP C[C@@H]([NH3+])C1CC[NH+]([C@H](C)C(=O)Nc2ccc(Cl)cc2)CC1 ZINC000430938361 296813616 /nfs/dbraw/zinc/81/36/16/296813616.db2.gz BMGOPVYFOQGCNK-VXGBXAGGSA-N 2 0 309.841 2.726 20 0 DFADRP Cc1ccc(NC(=O)[C@@H](C)[NH+]2CCC([C@@H](C)[NH3+])CC2)cc1C ZINC000430940258 296813745 /nfs/dbraw/zinc/81/37/45/296813745.db2.gz JOMTWWMTQDHBAF-HUUCEWRRSA-N 2 0 303.450 2.690 20 0 DFADRP CSc1ccc(NC(=O)[C@H](C)[NH+]2CCC([C@@H](C)[NH3+])CC2)cc1 ZINC000430955494 296814998 /nfs/dbraw/zinc/81/49/98/296814998.db2.gz AQHNLGJBOLMZFS-OLZOCXBDSA-N 2 0 321.490 2.795 20 0 DFADRP C[C@@H]([NH3+])C1CC[NH+]([C@H]2CCN(c3cccc(Cl)c3)C2=O)CC1 ZINC000430959108 296815259 /nfs/dbraw/zinc/81/52/59/296815259.db2.gz WJDKFUNRFGOLIC-WBMJQRKESA-N 2 0 321.852 2.505 20 0 DFADRP COc1ccc(OCCC[NH+]2CCC3(CC[NH2+]C3)CC2)cc1 ZINC000431042653 296818949 /nfs/dbraw/zinc/81/89/49/296818949.db2.gz JSPFCOVMLFHBHU-UHFFFAOYSA-N 2 0 304.434 2.540 20 0 DFADRP C[NH+](C)[C@H](CC(=O)NCCC[NH+]1CCCCC1)c1ccccc1 ZINC000431627908 296843581 /nfs/dbraw/zinc/84/35/81/296843581.db2.gz KXZQHHOOJGSUPT-GOSISDBHSA-N 2 0 317.477 2.672 20 0 DFADRP CC[NH+](CC)Cc1cccc(NC(=O)[C@H]([NH3+])CCSC)c1 ZINC000130933610 196124024 /nfs/dbraw/zinc/12/40/24/196124024.db2.gz QCXRZDSFAKXVNR-OAHLLOKOSA-N 2 0 309.479 2.547 20 0 DFADRP C[N@H+](CCCCc1ccccc1)CCCN1CC[NH+](C)CC1 ZINC000131165116 196145517 /nfs/dbraw/zinc/14/55/17/196145517.db2.gz BHFOUDSRFWDXRE-UHFFFAOYSA-N 2 0 303.494 2.579 20 0 DFADRP C[C@@H]1CCC[C@H](CC[NH+]2CCC(N3CCC[C@@H]3C(N)=O)CC2)C1 ZINC000131175609 196146659 /nfs/dbraw/zinc/14/66/59/196146659.db2.gz HPPPPTXIAAOJFZ-JFIYKMOQSA-N 2 0 321.509 2.617 20 0 DFADRP COc1ccc([C@@H](C)[NH2+]C2CC[NH+](C[C@@H]3CCOC3)CC2)cc1 ZINC000133094443 196311192 /nfs/dbraw/zinc/31/11/92/196311192.db2.gz BGNPDPZSAWFFFF-CVEARBPZSA-N 2 0 318.461 2.847 20 0 DFADRP C[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]CC2=CC[N@H+](C)CC2)CC1 ZINC000366694719 287288385 /nfs/dbraw/zinc/28/83/85/287288385.db2.gz LBICMJXPXMLRIZ-APWZRJJASA-N 3 0 305.510 2.881 20 0 DFADRP CCC[N@@H+]1CC[C@@H](CNC(=O)Nc2cccc(C[NH+](C)C)c2)C1 ZINC000054806366 425891389 /nfs/dbraw/zinc/89/13/89/425891389.db2.gz SJGYDLLOYLDCHX-INIZCTEOSA-N 2 0 318.465 2.602 20 0 DFADRP Cc1ncc(CN(C)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)n1C ZINC000667532030 543623435 /nfs/dbraw/zinc/62/34/35/543623435.db2.gz ZPIKMMTXKVHHES-GOSISDBHSA-N 2 0 312.461 2.825 20 0 DFADRP CC(C)[NH+]1CCC(N(C)Cc2ccnn2-c2cc[nH+]cc2)CC1 ZINC000667494350 543618061 /nfs/dbraw/zinc/61/80/61/543618061.db2.gz WORNWCDLOCRHLF-UHFFFAOYSA-N 2 0 313.449 2.572 20 0 DFADRP C[NH+](C)[C@@H]1CCc2cc(NC(=O)N3CCC(C)([NH3+])CC3)ccc21 ZINC000667662168 543653587 /nfs/dbraw/zinc/65/35/87/543653587.db2.gz ZPJXBTHPBHAZIY-MRXNPFEDSA-N 2 0 316.449 2.581 20 0 DFADRP CC[NH+](CC)C[C@H]1CCN(Cc2c(C3CCC3)cnn2C)C1 ZINC000667673194 543656922 /nfs/dbraw/zinc/65/69/22/543656922.db2.gz UWPHWDKKSFCEIM-OAHLLOKOSA-N 2 0 304.482 2.851 20 0 DFADRP C[NH+](C)CCCC1CC[NH+](Cc2ccnn2CC2CC2)CC1 ZINC000667672134 543657315 /nfs/dbraw/zinc/65/73/15/543657315.db2.gz LRQKVPXKYGPNLH-UHFFFAOYSA-N 2 0 304.482 2.847 20 0 DFADRP C[C@@H]1CCC[N@H+](CCCCNC(=O)Nc2cccc(C[NH3+])c2)C1 ZINC000667730961 543668655 /nfs/dbraw/zinc/66/86/55/543668655.db2.gz HWZPJFQAUSQHTM-OAHLLOKOSA-N 2 0 318.465 2.779 20 0 DFADRP COCC[N@H+](Cc1ccnn1-c1cc[nH+]cc1)[C@@H]1CC[C@@H](C)C1 ZINC000668055996 543731336 /nfs/dbraw/zinc/73/13/36/543731336.db2.gz PXASLVTZNVWJQU-NVXWUHKLSA-N 2 0 314.433 2.904 20 0 DFADRP c1cc(C[NH2+][C@H]2CO[C@H](C3CC3)C2)cc(C[NH+]2CCCC2)c1 ZINC000667927820 543704841 /nfs/dbraw/zinc/70/48/41/543704841.db2.gz GTQXPRLANQJVCG-MOPGFXCFSA-N 2 0 300.446 2.940 20 0 DFADRP CCO[C@H](CC[NH+](C)C)C[NH2+]C1CC(Oc2ccccc2)C1 ZINC000667936110 543706186 /nfs/dbraw/zinc/70/61/86/543706186.db2.gz DHZPYUTWUSRJTI-IIIMJFFVSA-N 2 0 306.450 2.543 20 0 DFADRP O[C@H]1CC[N@H+](Cc2ccccc2C[NH2+][C@@H]2CCC[C@@H]3C[C@@H]32)C1 ZINC000667961947 543713916 /nfs/dbraw/zinc/71/39/16/543713916.db2.gz BYWKFWWZUNOURA-GRGSLBFTSA-N 2 0 300.446 2.531 20 0 DFADRP c1cc(C[N@@H+]2CC[C@@H](c3cccnc3)C2)n(-c2cc[nH+]cc2)n1 ZINC000668273144 543781418 /nfs/dbraw/zinc/78/14/18/543781418.db2.gz VAVWVAPGPPJPOO-MRXNPFEDSA-N 2 0 305.385 2.652 20 0 DFADRP COCCc1ccc(OC[C@@H](C)[NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)cc1 ZINC000668295726 543787447 /nfs/dbraw/zinc/78/74/47/543787447.db2.gz XTENRQXBUKNRCX-NXHRZFHOSA-N 2 0 320.477 2.573 20 0 DFADRP Cc1cccc2[nH]c(C[N@H+](C)CCCN3CC[NH+](C)CC3)cc21 ZINC000668163241 543755574 /nfs/dbraw/zinc/75/55/74/543755574.db2.gz XNGDUWCDJHGESE-UHFFFAOYSA-N 2 0 314.477 2.546 20 0 DFADRP COC[C@H](C)Oc1ccc(C[N@H+](C)[C@H]2CCN(C)C[C@@H]2C)cc1 ZINC000668172106 543758858 /nfs/dbraw/zinc/75/88/58/543758858.db2.gz DNLKCTSHRZAKFI-BXWFABGCSA-N 2 0 320.477 2.872 20 0 DFADRP C[C@@H](O)C1([NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)CC1 ZINC000668700320 543848264 /nfs/dbraw/zinc/84/82/64/543848264.db2.gz SXXVBDWHZMUBOY-CCNLRDMRSA-N 2 0 300.446 2.685 20 0 DFADRP C[C@@H](Cc1ccccc1)C[N@@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000668784681 543866901 /nfs/dbraw/zinc/86/69/01/543866901.db2.gz HNFBHSBZEUMTIR-PKOBYXMFSA-N 2 0 304.478 2.908 20 0 DFADRP C[C@H](O)[C@@H]([NH2+]C1CCN(c2cc[nH+]cc2)CC1)c1ccccc1 ZINC000668787510 543867901 /nfs/dbraw/zinc/86/79/01/543867901.db2.gz BAHSQMDNBFWHSM-HNAYVOBHSA-N 2 0 311.429 2.762 20 0 DFADRP C[C@@H]([NH2+]CC(C)(C)N1CC[NH+](C)CC1)[C@@H]1C[C@H]1c1cccs1 ZINC000669417455 543943743 /nfs/dbraw/zinc/94/37/43/543943743.db2.gz XFCKVBOMXMEOHZ-OWCLPIDISA-N 2 0 321.534 2.856 20 0 DFADRP [NH3+][C@@H](C(=O)NCC1([NH3+])CCCCCC1)c1cccc(Cl)c1 ZINC000669509068 543958521 /nfs/dbraw/zinc/95/85/21/543958521.db2.gz JUSHUPNZZBAJCG-CQSZACIVSA-N 2 0 309.841 2.508 20 0 DFADRP C[NH2+]Cc1ccc(NC(=O)C2(c3ccccc3)CC[NH2+]CC2)cc1 ZINC000669520285 543959480 /nfs/dbraw/zinc/95/94/80/543959480.db2.gz YESJMWMZDALZDM-UHFFFAOYSA-N 2 0 323.440 2.666 20 0 DFADRP CC[N@H+](CC(=O)Nc1ccccc1Nc1cc[nH+]cc1)C1CC1 ZINC000670378728 544035500 /nfs/dbraw/zinc/03/55/00/544035500.db2.gz JNAMDBHFRBQDIE-UHFFFAOYSA-N 2 0 310.401 2.670 20 0 DFADRP C[C@H]([NH2+]C[C@H]1CC[N@@H+](C2CC2)C1)c1ccc2[nH]c(=O)oc2c1 ZINC000671740773 544104552 /nfs/dbraw/zinc/10/45/52/544104552.db2.gz COVJLNGVBWMHNO-NWDGAFQWSA-N 2 0 301.390 2.668 20 0 DFADRP C[N@@H+]1CC[C@H]([NH2+]CCN2CCCc3ccccc32)[C@H]2CCC[C@H]21 ZINC000671743973 544105363 /nfs/dbraw/zinc/10/53/63/544105363.db2.gz KAVARJIRPOMHFU-WSTZPKSXSA-N 2 0 313.489 2.902 20 0 DFADRP CC(C)[C@@H]1CC[C@H]1[NH2+]Cc1ccc(CN2CC[NH+](C)CC2)cc1 ZINC000671742062 544105398 /nfs/dbraw/zinc/10/53/98/544105398.db2.gz WTENCXZTZVTJDU-VQTJNVASSA-N 2 0 315.505 2.958 20 0 DFADRP C[C@H]([NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccc2[nH]c(=O)oc2c1 ZINC000671741613 544105552 /nfs/dbraw/zinc/10/55/52/544105552.db2.gz ZSTGEUKHQZKPHW-IACUBPJLSA-N 2 0 301.390 2.811 20 0 DFADRP COc1ccccc1OCCC[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@@H]21 ZINC000671746247 544105942 /nfs/dbraw/zinc/10/59/42/544105942.db2.gz ZFLKIUKIOBVMLJ-ZACQAIPSSA-N 2 0 318.461 2.927 20 0 DFADRP C[C@H]([NH2+]CC1(C)CC[NH+](C)CC1)c1ccc2[nH]c(=O)oc2c1 ZINC000671759896 544108054 /nfs/dbraw/zinc/10/80/54/544108054.db2.gz RBZUNTIOELTTKR-LBPRGKRZSA-N 2 0 303.406 2.916 20 0 DFADRP CC(C)[NH+]1CCC([NH2+]C[C@H](CO)c2ccc(Cl)cc2)CC1 ZINC000672620448 544143822 /nfs/dbraw/zinc/14/38/22/544143822.db2.gz OZYGCGREAICUEI-OAHLLOKOSA-N 2 0 310.869 2.878 20 0 DFADRP CC[NH+]1CCC([NH2+]C[C@@H]2CCN(c3ccccc3F)C2)CC1 ZINC000291092462 222130291 /nfs/dbraw/zinc/13/02/91/222130291.db2.gz CYLBAWNQUUQAOQ-HNNXBMFYSA-N 2 0 305.441 2.726 20 0 DFADRP C[C@@H]1CN(Cc2ccccc2)CCC[N@@H+]1CC1CC[NH2+]CC1 ZINC000297451773 227184332 /nfs/dbraw/zinc/18/43/32/227184332.db2.gz QGZZSYVLVSQHJM-QGZVFWFLSA-N 2 0 301.478 2.582 20 0 DFADRP Cc1noc(CCC[NH+]2CCC(C[NH+]3CCCCCC3)CC2)n1 ZINC000675643386 544324904 /nfs/dbraw/zinc/32/49/04/544324904.db2.gz PIGXPSOUAKCEDP-UHFFFAOYSA-N 2 0 320.481 2.899 20 0 DFADRP C[C@H]([NH2+][C@H]1CCN(C2CC[NH+](C)CC2)C1)c1ccc(Cl)cn1 ZINC000681388796 545636149 /nfs/dbraw/zinc/63/61/49/545636149.db2.gz ANJMZOUBOCLNAX-ZFWWWQNUSA-N 2 0 322.884 2.554 20 0 DFADRP CC[C@H]([NH2+]CC(C)(C)N1CC[NH+](C)CC1)c1cccc(OC)c1 ZINC000675741823 544332830 /nfs/dbraw/zinc/33/28/30/544332830.db2.gz IGJKFIBYMNCSPW-SFHVURJKSA-N 2 0 319.493 2.762 20 0 DFADRP C[C@@H]([NH2+]Cc1ccccc1Cn1ccnc1)C1CC[NH+](C)CC1 ZINC000675739742 544332840 /nfs/dbraw/zinc/33/28/40/544332840.db2.gz SBTMNHIJPBXMSO-MRXNPFEDSA-N 2 0 312.461 2.751 20 0 DFADRP CCC[C@@H]([NH2+]CC(C)(C)N1CC[NH+](C)CC1)c1ccccn1 ZINC000678029030 544584845 /nfs/dbraw/zinc/58/48/45/544584845.db2.gz DCOZULXCKDYKHX-MRXNPFEDSA-N 2 0 304.482 2.538 20 0 DFADRP C[NH+](C)CCCC1CC[NH+](C[C@H]2COc3ccccc3O2)CC1 ZINC000678046356 544587813 /nfs/dbraw/zinc/58/78/13/544587813.db2.gz SLYQCLREIJBPPM-KRWDZBQOSA-N 2 0 318.461 2.880 20 0 DFADRP CC[NH+](CC)[C@H]1CCN(Cc2ccc(OCC[NH+](C)C)cc2)C1 ZINC000678132695 544606675 /nfs/dbraw/zinc/60/66/75/544606675.db2.gz KZFPRVAMCMSBKN-SFHVURJKSA-N 2 0 319.493 2.543 20 0 DFADRP CC[C@@H](C[NH+]1CCN([C@@H]2CCC[N@H+](C)C2)CC1)c1ccccc1 ZINC000678258764 544635335 /nfs/dbraw/zinc/63/53/35/544635335.db2.gz MQAFYBPPYBCRSO-AZUAARDMSA-N 2 0 315.505 2.892 20 0 DFADRP Brc1ccc2c(c1)[C@@H]([N@H+]1C[C@H]3C[NH2+]C[C@H]3C1)CCC2 ZINC000678312462 544650484 /nfs/dbraw/zinc/65/04/84/544650484.db2.gz JSGUCNBQUYQQGD-ZENOOKHLSA-N 2 0 321.262 2.978 20 0 DFADRP C[C@@H](O)C[N@H+](C)C1CC[NH+](CC(C)(C)c2ccccc2)CC1 ZINC000678827602 544731327 /nfs/dbraw/zinc/73/13/27/544731327.db2.gz AVGQNJNFVNLFNM-MRXNPFEDSA-N 2 0 304.478 2.741 20 0 DFADRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H]2CCC[C@@H](OC)C2)[C@@H](C)C1 ZINC000678603059 544700388 /nfs/dbraw/zinc/70/03/88/544700388.db2.gz IUGGCZFXYLAOHA-MLHJIOFPSA-N 2 0 312.498 2.671 20 0 DFADRP Cc1cccc(C)c1C[N@@H+](C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000678722197 544712417 /nfs/dbraw/zinc/71/24/17/544712417.db2.gz YOCRCJWKYAXNET-LJQANCHMSA-N 2 0 315.505 2.904 20 0 DFADRP CO[C@H]1CCC[C@@H]1C[NH2+]Cc1ccc(OCC[NH+](C)C)cc1 ZINC000678733787 544714241 /nfs/dbraw/zinc/71/42/41/544714241.db2.gz QNSXPOYRQPIXRI-AEFFLSMTSA-N 2 0 306.450 2.532 20 0 DFADRP C[C@@H]1CCc2ccccc2[C@@H]1[NH2+]C1CCN(CC[NH+](C)C)CC1 ZINC000678766390 544717281 /nfs/dbraw/zinc/71/72/81/544717281.db2.gz KEURWASJSHSTQA-OXQOHEQNSA-N 2 0 315.505 2.926 20 0 DFADRP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@H]1c2ccccc2CC[C@H]1C ZINC000678769419 544717694 /nfs/dbraw/zinc/71/76/94/544717694.db2.gz URCRCKOCLVKXDY-GPMSIDNRSA-N 2 0 301.478 2.536 20 0 DFADRP C[C@H](C[NH2+][C@H]1c2ccccc2CC[C@H]1C)CN1CC[NH+](C)CC1 ZINC000678769259 544717864 /nfs/dbraw/zinc/71/78/64/544717864.db2.gz QMUMTZJGCKNLBF-MBOZVWFJSA-N 2 0 315.505 2.783 20 0 DFADRP CN1CC[NH+](CCCC[NH2+][C@H]2CCCc3ccc(F)cc32)CC1 ZINC000678923702 544749700 /nfs/dbraw/zinc/74/97/00/544749700.db2.gz ANCDVKGMCBJIES-IBGZPJMESA-N 2 0 319.468 2.820 20 0 DFADRP CCc1nc2ccccc2n1CC[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000679023739 544769543 /nfs/dbraw/zinc/76/95/43/544769543.db2.gz WLEIWOCENKTBFT-CABCVRRESA-N 2 0 300.450 2.671 20 0 DFADRP C[C@H](C(=O)NC[C@H](c1ccsc1)[NH+](C)C)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000299684762 229331340 /nfs/dbraw/zinc/33/13/40/229331340.db2.gz SFQIFRWKFZKPBV-HLPPOEQASA-N 2 0 323.506 2.728 20 0 DFADRP Cc1ccc(N[C@H]2CC[N@H+](C)[C@H](C)C2)c(OCC[NH+](C)C)c1 ZINC000679148936 544792277 /nfs/dbraw/zinc/79/22/77/544792277.db2.gz WGFGIRUZRNKDSP-CVEARBPZSA-N 2 0 305.466 2.830 20 0 DFADRP C[C@H](CCCCO)[NH2+]Cc1cccc(CN2CCO[C@H](C)C2)c1 ZINC000679336519 544836520 /nfs/dbraw/zinc/83/65/20/544836520.db2.gz WYOMEOIIPGORKI-IAGOWNOFSA-N 2 0 320.477 2.548 20 0 DFADRP C[C@@H](CCCCO)[NH2+]Cc1cccc(CN2CCO[C@H](C)C2)c1 ZINC000679336518 544836783 /nfs/dbraw/zinc/83/67/83/544836783.db2.gz WYOMEOIIPGORKI-DLBZAZTESA-N 2 0 320.477 2.548 20 0 DFADRP Cc1ccc(C[NH2+][C@@H](C)C2CC[NH+](C)CC2)c(N2CCCC2)n1 ZINC000679724058 544906423 /nfs/dbraw/zinc/90/64/23/544906423.db2.gz QOBVOAGCLAEEKF-INIZCTEOSA-N 2 0 316.493 2.810 20 0 DFADRP C[C@@H]([NH2+]CCc1ccc(F)c(F)c1F)C1CC[NH+](C)CC1 ZINC000680353044 544996342 /nfs/dbraw/zinc/99/63/42/544996342.db2.gz YUVBRTQRHAQYQH-LLVKDONJSA-N 2 0 300.368 2.966 20 0 DFADRP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+]CC1(CO)CCCCC1 ZINC000680127854 544961972 /nfs/dbraw/zinc/96/19/72/544961972.db2.gz YKFOHXZDSIKFRC-UHFFFAOYSA-N 2 0 314.433 2.608 20 0 DFADRP Cc1cc(NCCN2CC[NH+](Cc3ccccc3)CC2)cc[nH+]1 ZINC000302223110 230178569 /nfs/dbraw/zinc/17/85/69/230178569.db2.gz PESSLZAGRDPMEV-UHFFFAOYSA-N 2 0 310.445 2.620 20 0 DFADRP CC1CCC(C[N@H+](C)[C@@H]2CCN(C3CC[NH+](C)CC3)C2)CC1 ZINC000680376666 545000631 /nfs/dbraw/zinc/00/06/31/545000631.db2.gz UKBNMFIGGYGHGX-FAFZWHIHSA-N 2 0 307.526 2.913 20 0 DFADRP CC1CCC(C[N@H+](C)[C@H]2CCN(C3CC[NH+](C)CC3)C2)CC1 ZINC000680376667 545000935 /nfs/dbraw/zinc/00/09/35/545000935.db2.gz UKBNMFIGGYGHGX-TVPLGVNVSA-N 2 0 307.526 2.913 20 0 DFADRP CC(C)[N@H+](C)CC(=O)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000063465155 425900439 /nfs/dbraw/zinc/90/04/39/425900439.db2.gz UHOVIVPHRPHWNB-UHFFFAOYSA-N 2 0 317.477 2.629 20 0 DFADRP CC[NH+](CC)[C@H](CNC(=O)C[N@H+](C)C(C)C)c1ccsc1 ZINC000063466991 425900461 /nfs/dbraw/zinc/90/04/61/425900461.db2.gz XZCZYHYDAXLNTI-OAHLLOKOSA-N 2 0 311.495 2.587 20 0 DFADRP Cc1cccc(N2CC[NH+](CCCC[NH2+]CC3CC3)CC2)c1 ZINC000066971315 425907915 /nfs/dbraw/zinc/90/79/15/425907915.db2.gz ZHLXVSRCCMXYNN-UHFFFAOYSA-N 2 0 301.478 2.897 20 0 DFADRP CC(C)[N@H+](C)CC(=O)NCC(C)(C)[NH2+][C@@H](C)c1ccccc1 ZINC000068387091 425917600 /nfs/dbraw/zinc/91/76/00/425917600.db2.gz XGAXMWDKHNWLEG-HNNXBMFYSA-N 2 0 305.466 2.572 20 0 DFADRP CCc1nc(C)c([C@H](C)[NH2+]C[C@H](C)N2CC[NH+](CC)CC2)s1 ZINC000155568215 425920445 /nfs/dbraw/zinc/92/04/45/425920445.db2.gz AGFMZQNENUCZDG-KBPBESRZSA-N 2 0 324.538 2.691 20 0 DFADRP CC[NH+]1CCN([C@@H](C)C[NH2+][C@@H](CC(C)C)c2ccccn2)CC1 ZINC000155573572 425919968 /nfs/dbraw/zinc/91/99/68/425919968.db2.gz JBFLWYXOXLOCSU-HKUYNNGSSA-N 2 0 318.509 2.784 20 0 DFADRP Cc1ccc(CC[NH+]2CCC(C[NH+]3CCOCC3)CC2)cc1 ZINC000124452875 425920293 /nfs/dbraw/zinc/92/02/93/425920293.db2.gz XHBLVSGLRARJRQ-UHFFFAOYSA-N 2 0 302.462 2.582 20 0 DFADRP CCOc1ccccc1[C@@H](C)[NH2+]C[C@H](C)N1CC[NH+](CC)CC1 ZINC000155718348 425924965 /nfs/dbraw/zinc/92/49/65/425924965.db2.gz RYXOCTLRWPDWKD-DLBZAZTESA-N 2 0 319.493 2.762 20 0 DFADRP CCOc1ccc([C@@H](C)[NH2+]C[C@H](C)N2CC[NH+](CC)CC2)cc1 ZINC000155741263 425926746 /nfs/dbraw/zinc/92/67/46/425926746.db2.gz ZMKRUYSRXFEDES-DLBZAZTESA-N 2 0 319.493 2.762 20 0 DFADRP C[C@@H](CNC(=O)c1cccc(C[NH+](C)C)c1)[N@@H+]1CCC[C@@H](C)C1 ZINC000155781571 425927429 /nfs/dbraw/zinc/92/74/29/425927429.db2.gz IYHIOMJFVVDPIR-CVEARBPZSA-N 2 0 317.477 2.598 20 0 DFADRP CC[NH+](CC)[C@@H](CNC(=O)CCC1CC[NH2+]CC1)CC(C)C ZINC000155881897 425929205 /nfs/dbraw/zinc/92/92/05/425929205.db2.gz JADBHRDWXGILDY-QGZVFWFLSA-N 2 0 311.514 2.639 20 0 DFADRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N1CCC([NH2+]C2CCCC2)CC1 ZINC000156382706 425933465 /nfs/dbraw/zinc/93/34/65/425933465.db2.gz YACARTPGUBLAPN-GOSISDBHSA-N 2 0 321.509 2.773 20 0 DFADRP C[C@@H]([NH2+]CCCC[NH3+])c1ccc(I)cc1 ZINC000037715437 425848988 /nfs/dbraw/zinc/84/89/88/425848988.db2.gz OSCBGPLHESBIHO-SNVBAGLBSA-N 2 0 318.202 2.681 20 0 DFADRP CC[NH+](CC)Cc1ccc(C(=O)NCC2([NH+](C)C)CCCC2)o1 ZINC000042764412 425853726 /nfs/dbraw/zinc/85/37/26/425853726.db2.gz DBQKBVQJCHYNGZ-UHFFFAOYSA-N 2 0 321.465 2.726 20 0 DFADRP Cc1ccc(C[C@H](CO)[NH2+]C2CC[NH+](C(C)(C)C)CC2)cc1 ZINC000191586688 268006525 /nfs/dbraw/zinc/00/65/25/268006525.db2.gz JWTAZFIMHMHSOB-GOSISDBHSA-N 2 0 304.478 2.751 20 0 DFADRP COC(=O)C1CCC([NH2+][C@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)CC1 ZINC000192447615 268036686 /nfs/dbraw/zinc/03/66/86/268036686.db2.gz HOAWIOJSNXMQNK-GYXIZQIFSA-N 2 0 322.493 2.961 20 0 DFADRP CCN1CC[NH+](CCCC[NH2+][C@H]2CCCc3occc32)CC1 ZINC000192666124 268044572 /nfs/dbraw/zinc/04/45/72/268044572.db2.gz IVTVORKWAHWPHQ-KRWDZBQOSA-N 2 0 305.466 2.664 20 0 DFADRP CCC[N@@H+]1CC[C@@H](C[NH2+]CCCc2ccc3c(c2)CCO3)C1 ZINC000193275685 268063195 /nfs/dbraw/zinc/06/31/95/268063195.db2.gz BDRPFNGYPXQIQH-KRWDZBQOSA-N 2 0 302.462 2.876 20 0 DFADRP COC(=O)[C@H]1CC[C@@H]([NH2+]Cc2cnc(C)n2-c2ccccc2)C1 ZINC000193494491 268070977 /nfs/dbraw/zinc/07/09/77/268070977.db2.gz OUHCJKSVXDNBLP-LSDHHAIUSA-N 2 0 313.401 2.612 20 0 DFADRP C[N@H+]1C[C@H]2CN(Cc3ccc(C(=O)OC(C)(C)C)cc3)C[C@H]2C1 ZINC000193646235 268074946 /nfs/dbraw/zinc/07/49/46/268074946.db2.gz GKAQRVBXFFNVTA-CALCHBBNSA-N 2 0 316.445 2.635 20 0 DFADRP C[C@@H]1C[C@@H](C)C[NH+](CCC[NH2+][C@@H]2[C@H]3CCO[C@H]3C23CCC3)C1 ZINC000193976472 268085982 /nfs/dbraw/zinc/08/59/82/268085982.db2.gz OZWVFRDXBJXSTR-DUQPFJRNSA-N 2 0 306.494 2.902 20 0 DFADRP Cc1nn(C)cc1[C@H](C)[NH2+]C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000195136885 268127771 /nfs/dbraw/zinc/12/77/71/268127771.db2.gz MAQAEAMHKDQRFM-MAUKXSAKSA-N 2 0 312.461 2.901 20 0 DFADRP CC1CC[NH+](Cc2ccc(CNC(=O)C(C)(C)C[NH3+])cc2)CC1 ZINC000236712214 268149156 /nfs/dbraw/zinc/14/91/56/268149156.db2.gz NIIJCNPYHSXKIM-UHFFFAOYSA-N 2 0 317.477 2.520 20 0 DFADRP CCCC[C@@H]([NH3+])C(=O)Nc1ccc2ccn(CC[NH+](C)C)c2c1 ZINC000236830434 268151049 /nfs/dbraw/zinc/15/10/49/268151049.db2.gz JLNQAUHFJZWWGU-MRXNPFEDSA-N 2 0 316.449 2.659 20 0 DFADRP CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)CCCCCC[NH3+])C1 ZINC000236917139 268152368 /nfs/dbraw/zinc/15/23/68/268152368.db2.gz MAWXEYNJAIHHNT-MRXNPFEDSA-N 2 0 311.514 2.912 20 0 DFADRP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)[C@@H]1CCCCCC[C@@H]1[NH3+] ZINC000236911310 268153194 /nfs/dbraw/zinc/15/31/94/268153194.db2.gz DDQQQMYZMYTPJB-ZACQAIPSSA-N 2 0 309.498 2.665 20 0 DFADRP [NH3+][C@@H]1CCCCCC[C@@H]1C(=O)NCC[NH2+]C1CCCCCC1 ZINC000237864526 268160614 /nfs/dbraw/zinc/16/06/14/268160614.db2.gz YUYLAPUEVUTLMB-DLBZAZTESA-N 2 0 309.498 2.713 20 0 DFADRP Cc1cnn(CC[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)c1 ZINC000270650353 268196399 /nfs/dbraw/zinc/19/63/99/268196399.db2.gz QIBWKKKWDRJBCY-PKOBYXMFSA-N 2 0 312.461 2.692 20 0 DFADRP C[NH+](C)CCCC1CC[NH+](C[C@H](O)Cc2ccccc2)CC1 ZINC000271000622 268247059 /nfs/dbraw/zinc/24/70/59/268247059.db2.gz GFMJKLGIFDBXLG-LJQANCHMSA-N 2 0 304.478 2.644 20 0 DFADRP C[C@H]([NH2+]CC1(O)CC[NH+](C)CC1)[C@@H](C)c1ccc(Cl)cc1 ZINC000280784958 268270054 /nfs/dbraw/zinc/27/00/54/268270054.db2.gz FZSBITXEQFNGGH-KGLIPLIRSA-N 2 0 310.869 2.878 20 0 DFADRP C[C@H]1CN([C@H]2CC[NH+](Cc3ccccc3)C2)CC[N@@H+](C2CC2)C1 ZINC000298083746 268312678 /nfs/dbraw/zinc/31/26/78/268312678.db2.gz MEIYIVKJVPAAQU-XLIONFOSSA-N 2 0 313.489 2.677 20 0 DFADRP C[C@H](c1ccc(Br)cc1)N1CCCO[C@@H](C[NH3+])C1 ZINC000313351156 268339437 /nfs/dbraw/zinc/33/94/37/268339437.db2.gz MYBSXHRHYZFTIP-RISCZKNCSA-N 2 0 313.239 2.560 20 0 DFADRP C[C@H](c1cccc(Br)c1)N1CCCO[C@H](C[NH3+])C1 ZINC000313343792 268339463 /nfs/dbraw/zinc/33/94/63/268339463.db2.gz ICGXYTPUYOGLIW-BXUZGUMPSA-N 2 0 313.239 2.560 20 0 DFADRP C[C@H](c1ccc(C(F)(F)F)cc1)N1CCCO[C@@H](C[NH3+])C1 ZINC000313337741 268339509 /nfs/dbraw/zinc/33/95/09/268339509.db2.gz JSAPJTSAZXDWBC-RISCZKNCSA-N 2 0 302.340 2.816 20 0 DFADRP C[C@@H](c1ccccc1Br)N1CCCO[C@@H](C[NH3+])C1 ZINC000313350236 268339862 /nfs/dbraw/zinc/33/98/62/268339862.db2.gz MBZQKVQFLDIUQY-RYUDHWBXSA-N 2 0 313.239 2.560 20 0 DFADRP [NH3+][C@@H](Cc1ccccc1)[C@@H](O)C[NH+]1CCC2(CCCCC2)CC1 ZINC000321055334 268348143 /nfs/dbraw/zinc/34/81/43/268348143.db2.gz HQISIWWXIVBELT-OALUTQOASA-N 2 0 316.489 2.964 20 0 DFADRP CC(C)c1cccc(NC(=O)C[N@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)c1 ZINC000324118524 268350014 /nfs/dbraw/zinc/35/00/14/268350014.db2.gz GIKMFCMWZKPKQO-CALCHBBNSA-N 2 0 315.461 2.680 20 0 DFADRP C[C@@H]1CN(C2CC[NH+](CCc3ccccc3)CC2)C[C@@]1(C)C[NH3+] ZINC000323367938 268350079 /nfs/dbraw/zinc/35/00/79/268350079.db2.gz ZBCBQUJPRIEYAJ-YLJYHZDGSA-N 2 0 315.505 2.610 20 0 DFADRP CC(C)[C@H](C[NH2+][C@H]1CCCC12CCCC2)N1CC[NH+](C)CC1 ZINC000328143843 268351334 /nfs/dbraw/zinc/35/13/34/268351334.db2.gz CMODZLDSWNGFAX-ROUUACIJSA-N 2 0 307.526 2.961 20 0 DFADRP CC[NH+]1CCC(NC(=O)C[NH+]2CCC(CCC(C)C)CC2)CC1 ZINC000124877433 425943567 /nfs/dbraw/zinc/94/35/67/425943567.db2.gz VEODYGBMTLIIGW-UHFFFAOYSA-N 2 0 323.525 2.735 20 0 DFADRP C[C@H]1CCCC[N@@H+]1CCC1CC[NH+](CC(=O)N2CCCC2)CC1 ZINC000158917171 425949750 /nfs/dbraw/zinc/94/97/50/425949750.db2.gz MWXLBNRUGWIOSI-KRWDZBQOSA-N 2 0 321.509 2.585 20 0 DFADRP CC(C)NC(=O)CC[NH+]1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000158896274 425950218 /nfs/dbraw/zinc/95/02/18/425950218.db2.gz FGHIHSWBVNNGBY-KRWDZBQOSA-N 2 0 323.525 2.878 20 0 DFADRP C[C@@H](C(=O)NC1CC1)[NH+]1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000159032353 425952185 /nfs/dbraw/zinc/95/21/85/425952185.db2.gz OVFURNXWNKZGNE-HOTGVXAUSA-N 2 0 321.509 2.630 20 0 DFADRP CCN(CC)c1ncc(CN(C)C2CC[NH+](CC)CC2)s1 ZINC000125195294 425957707 /nfs/dbraw/zinc/95/77/07/425957707.db2.gz RYNWGVLNJBEVLO-UHFFFAOYSA-N 2 0 310.511 2.905 20 0 DFADRP C[C@@H]([NH2+]CCC1CC[NH+](C)CC1)c1ccc2c(c1)OCCO2 ZINC000125385743 425968340 /nfs/dbraw/zinc/96/83/40/425968340.db2.gz YTIUOJMFYVYQOR-CQSZACIVSA-N 2 0 304.434 2.840 20 0 DFADRP C[C@H]([NH3+])[C@@H]1CCC[N@H+](CCC(=O)Nc2ccccc2Cl)C1 ZINC000070174121 425969456 /nfs/dbraw/zinc/96/94/56/425969456.db2.gz GMBUBVOVNHVZNV-QWHCGFSZSA-N 2 0 309.841 2.728 20 0 DFADRP CCC[NH+](CCC)CCCC(=O)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000108816451 426023566 /nfs/dbraw/zinc/02/35/66/426023566.db2.gz YHTGDOFKJOYRHI-SFHVURJKSA-N 2 0 323.525 2.975 20 0 DFADRP C[NH+]1CCC(C[NH2+][C@H]2CCC23CCC3)(N2CCCCC2)CC1 ZINC000337392384 268486033 /nfs/dbraw/zinc/48/60/33/268486033.db2.gz AZYGHYGYACWWGF-KRWDZBQOSA-N 2 0 305.510 2.859 20 0 DFADRP COC[C@H]([NH2+]C[C@@H]1CCCN(Cc2cccs2)C1)C1CC1 ZINC000126910313 426042021 /nfs/dbraw/zinc/04/20/21/426042021.db2.gz QMXOIAJTZGCZAO-YOEHRIQHSA-N 2 0 308.491 2.975 20 0 DFADRP CCCNC(=O)C1([NH2+]CCC[NH+]2CCCCC2)CCCCC1 ZINC000161901616 426045490 /nfs/dbraw/zinc/04/54/90/426045490.db2.gz DVWNZBOIPOZRMB-UHFFFAOYSA-N 2 0 309.498 2.681 20 0 DFADRP Cc1nccn1CCCC[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000161979742 426048319 /nfs/dbraw/zinc/04/83/19/426048319.db2.gz BHSMQNZZOFSJLO-SFHVURJKSA-N 2 0 304.482 2.922 20 0 DFADRP C[C@@H](C(=O)Nc1ccc(CC[NH+](C)C)cc1)[NH+]1CCCCCC1 ZINC000074564913 426054604 /nfs/dbraw/zinc/05/46/04/426054604.db2.gz WMCHWTDLJIDQBO-INIZCTEOSA-N 2 0 317.477 2.994 20 0 DFADRP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+][C@@H](C)COC)CC1 ZINC000127293170 426059945 /nfs/dbraw/zinc/05/99/45/426059945.db2.gz QVAHZQYBOLSFKB-GJZGRUSLSA-N 2 0 323.456 2.653 20 0 DFADRP Cc1cccc(C[NH2+][C@@H]2CCN(Cc3ccccn3)C[C@@H]2C)n1 ZINC000127317616 426060258 /nfs/dbraw/zinc/06/02/58/426060258.db2.gz QZZCFFRNYWWITH-HNAYVOBHSA-N 2 0 310.445 2.785 20 0 DFADRP C[C@H](C[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1)CN(C)C(=O)OC(C)(C)C ZINC000162490174 426066524 /nfs/dbraw/zinc/06/65/24/426066524.db2.gz RMJGOMTYKBOTJP-ILXRZTDVSA-N 2 0 313.486 2.562 20 0 DFADRP CC[C@H]([NH2+]CCCN1CC[NH+](C)CC1)c1cc(F)ccc1F ZINC000162503223 426067360 /nfs/dbraw/zinc/06/73/60/426067360.db2.gz KUEXTZQLSJIPIB-KRWDZBQOSA-N 2 0 311.420 2.643 20 0 DFADRP CC(C)(C[NH2+]C1CCN(CC(F)(F)F)CC1)C[NH+]1CCCC1 ZINC000337794363 268548462 /nfs/dbraw/zinc/54/84/62/268548462.db2.gz CICLKNAYIFQFAW-UHFFFAOYSA-N 2 0 321.431 2.725 20 0 DFADRP CC(C)(C)C[NH2+]Cc1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000108420602 426016997 /nfs/dbraw/zinc/01/69/97/426016997.db2.gz WBBDJYKQPVYBPX-QGZVFWFLSA-N 2 0 317.477 2.520 20 0 DFADRP C[C@H]([NH2+]CCC[N@@H+]1CCC[C@H](C(N)=O)C1)c1ccc(Cl)cc1 ZINC000128156496 426104973 /nfs/dbraw/zinc/10/49/73/426104973.db2.gz LSGVYNFVYCPRRO-ZFWWWQNUSA-N 2 0 323.868 2.578 20 0 DFADRP CC(C)Oc1cccc([C@@H](O)C[NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)c1 ZINC000128266623 426110488 /nfs/dbraw/zinc/11/04/88/426110488.db2.gz SFKIFWLRPPXFCT-HFTRVMKXSA-N 2 0 306.450 2.580 20 0 DFADRP O[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+][C@H]2CC[C@H]2C2CCC2)CC1 ZINC000338002021 268597124 /nfs/dbraw/zinc/59/71/24/268597124.db2.gz SSMRLEAMFYSPED-CADBVGFASA-N 2 0 306.494 2.923 20 0 DFADRP CC[C@H]([NH3+])C(=O)NCc1ccccc1C[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000164846986 426118539 /nfs/dbraw/zinc/11/85/39/426118539.db2.gz RFMXQEBOQLZMEN-RKVPGOIHSA-N 2 0 317.477 2.518 20 0 DFADRP CC[N@@H+]1CC[C@H]([NH2+][C@@H](C)c2ccc(NC(N)=O)cc2)[C@H](C)C1 ZINC000165416467 426123535 /nfs/dbraw/zinc/12/35/35/426123535.db2.gz GELXSTLMFXDLPQ-WWGRRREGSA-N 2 0 304.438 2.558 20 0 DFADRP CC[C@@H]([NH2+]CCCN1CCC[N@H+](C)CC1)c1ccc(F)cc1 ZINC000128570421 426124012 /nfs/dbraw/zinc/12/40/12/426124012.db2.gz TWSXYLILALGJLT-GOSISDBHSA-N 2 0 307.457 2.894 20 0 DFADRP CC(C)[NH2+]CCC(=O)NCc1cccc(C[N@H+](C)C(C)C)c1 ZINC000165997925 426125768 /nfs/dbraw/zinc/12/57/68/426125768.db2.gz GKTJXVAULFLAOP-UHFFFAOYSA-N 2 0 305.466 2.531 20 0 DFADRP CCO[C@@H](CC[NH+](C)C)C[NH2+][C@H](C)c1ccc(F)c(F)c1 ZINC000166057004 426126298 /nfs/dbraw/zinc/12/62/98/426126298.db2.gz HMEXEPINKGMRRU-OCCSQVGLSA-N 2 0 300.393 2.972 20 0 DFADRP CC[NH+](CC)Cc1cccc(NC(=O)[C@]2(CC)CCC[NH2+]2)c1 ZINC000128859104 426135314 /nfs/dbraw/zinc/13/53/14/426135314.db2.gz BSQTYSSPIFLKKG-SFHVURJKSA-N 2 0 303.450 2.999 20 0 DFADRP CC[NH+](CC)Cc1ccc(C(=O)N[C@@H](C)CC[NH+](C)C)cc1 ZINC000338177991 268633034 /nfs/dbraw/zinc/63/30/34/268633034.db2.gz TYMDTHMOSNIWGJ-HNNXBMFYSA-N 2 0 305.466 2.598 20 0 DFADRP Cc1ccc([C@@H](O)C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)cc1 ZINC000134927701 426201049 /nfs/dbraw/zinc/20/10/49/426201049.db2.gz WOQIXICFMISRIV-RLLQIKCJSA-N 2 0 314.473 2.977 20 0 DFADRP C[NH+](C)CCN1CCC([NH2+][C@H]2CC[C@@H](c3ccccc3)C2)CC1 ZINC000130447390 426160254 /nfs/dbraw/zinc/16/02/54/426160254.db2.gz DLMOLWGICKBKIF-QUCCMNQESA-N 2 0 315.505 2.938 20 0 DFADRP CC(C)[C@H](C[NH2+][C@H]1CCc2cc(F)ccc21)N1CC[NH+](C)CC1 ZINC000132391274 426169732 /nfs/dbraw/zinc/16/97/32/426169732.db2.gz WCEHYOWHYGYLFH-OALUTQOASA-N 2 0 319.468 2.675 20 0 DFADRP C[C@H]1C[C@H](NC[C@@H](c2cccs2)[NH+]2CCCC2)CC[N@@H+]1C ZINC000134138773 426185386 /nfs/dbraw/zinc/18/53/86/426185386.db2.gz QMLLMNWKHNCOEB-XHSDSOJGSA-N 2 0 307.507 2.957 20 0 DFADRP CC[NH+]1CCC(NC(=O)C[N@@H+]2CCC[C@@H](C(C)(C)C)CC2)CC1 ZINC000116309207 426185770 /nfs/dbraw/zinc/18/57/70/426185770.db2.gz YYSHVIPASDVOOF-MRXNPFEDSA-N 2 0 323.525 2.735 20 0 DFADRP C[NH+]1CCC(CC[NH2+]Cc2ccc(Br)cn2)CC1 ZINC000134626815 426190612 /nfs/dbraw/zinc/19/06/12/426190612.db2.gz SBQSWEDNFKZOGK-UHFFFAOYSA-N 2 0 312.255 2.666 20 0 DFADRP CCc1noc(C)c1CN1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000134895630 426198161 /nfs/dbraw/zinc/19/81/61/426198161.db2.gz WLADVDOYJDAQLB-KDOFPFPSSA-N 2 0 303.450 2.994 20 0 DFADRP CC(C)[NH+]1CCC(C(=O)NCCCC[N@@H+]2CCC[C@@H](C)C2)CC1 ZINC000081257308 426221645 /nfs/dbraw/zinc/22/16/45/426221645.db2.gz ZOZNXPQVGKTLPM-QGZVFWFLSA-N 2 0 323.525 2.735 20 0 DFADRP CCc1oc(C[NH+]2CCC(CC[NH+](C)C)CC2)cc1C(=O)OC ZINC000338947716 268743289 /nfs/dbraw/zinc/74/32/89/268743289.db2.gz UEPKVVDGAFUTFR-UHFFFAOYSA-N 2 0 322.449 2.792 20 0 DFADRP C[N@H+](CCC(=O)Nc1ccccc1Cl)C[C@@H]1CCC[NH+](C)C1 ZINC000118842422 426248343 /nfs/dbraw/zinc/24/83/43/426248343.db2.gz LLFCEQWENKDDKI-CQSZACIVSA-N 2 0 323.868 2.942 20 0 DFADRP C[N@H+](CCC(=O)Nc1ccc(Cl)cc1)C[C@H]1CCC[NH+](C)C1 ZINC000118841348 426249356 /nfs/dbraw/zinc/24/93/56/426249356.db2.gz KPFVIUMEGXENNZ-AWEZNQCLSA-N 2 0 323.868 2.942 20 0 DFADRP COc1ccc(OCCC[N@@H+]2CC[C@H](C[NH+]3CCCC3)C2)cc1 ZINC000150824212 426263170 /nfs/dbraw/zinc/26/31/70/426263170.db2.gz GBMDAQHRTMKXCK-QGZVFWFLSA-N 2 0 318.461 2.882 20 0 DFADRP COc1ccc([C@@H](C)[NH2+]C2CCN(CC[NH+](C)C)CC2)cc1F ZINC000150961943 426269338 /nfs/dbraw/zinc/26/93/38/426269338.db2.gz QXVMRSCSTPKGAU-CQSZACIVSA-N 2 0 323.456 2.511 20 0 DFADRP C[C@@H]1Cc2ccc(F)cc2[C@@H]1[NH2+]C1CCN(CC[NH+](C)C)CC1 ZINC000151004808 426271914 /nfs/dbraw/zinc/27/19/14/426271914.db2.gz FLSVHGNAZRDDGG-AUUYWEPGSA-N 2 0 319.468 2.675 20 0 DFADRP C[C@H]([NH2+]CCc1ccccn1)c1ccc(OCC[NH+](C)C)cc1 ZINC000151382073 426292910 /nfs/dbraw/zinc/29/29/10/426292910.db2.gz IQHQDYFDBPUQFH-INIZCTEOSA-N 2 0 313.445 2.915 20 0 DFADRP CC(C)(C)CC[NH+]1CCN(C(=O)C[C@@H]([NH3+])c2ccccc2)CC1 ZINC000119546668 426296199 /nfs/dbraw/zinc/29/61/99/426296199.db2.gz KUUCWDZOJMDYMQ-QGZVFWFLSA-N 2 0 317.477 2.657 20 0 DFADRP C[C@@H]1C[C@@H](NC2CC[NH+](C3CC3)CC2)C[N@@H+]1Cc1ccccc1 ZINC000119566962 426297009 /nfs/dbraw/zinc/29/70/09/426297009.db2.gz OUZAJCDLBMRFPK-VQIMIIECSA-N 2 0 313.489 2.866 20 0 DFADRP Cc1ccc(NC(=O)NCCC[NH+]2CCC(C)CC2)c(C)n1 ZINC000152342627 426339673 /nfs/dbraw/zinc/33/96/73/426339673.db2.gz QXIFBQOPEDIHHT-UHFFFAOYSA-N 2 0 304.438 2.942 20 0 DFADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]CCc1nc2c(s1)CCCC2 ZINC000089667504 426300920 /nfs/dbraw/zinc/30/09/20/426300920.db2.gz OOKCQJOXKQSVPZ-NFAWXSAZSA-N 2 0 307.507 2.883 20 0 DFADRP CCN1CC[NH+](CCCC[NH2+]C2C3CC4CC(C3)CC2C4)CC1 ZINC000119659947 426301395 /nfs/dbraw/zinc/30/13/95/426301395.db2.gz BOYMHQLLGNSAAS-UHFFFAOYSA-N 2 0 319.537 2.818 20 0 DFADRP CC[N@@H+]1CC[C@@H]([NH2+]CCc2nc3c(s2)CCCC3)[C@H](C)C1 ZINC000089667048 426301438 /nfs/dbraw/zinc/30/14/38/426301438.db2.gz QBCKWRQHVAFOMT-ZIAGYGMSSA-N 2 0 307.507 2.884 20 0 DFADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1[NH2+]CCc1nc2c(cccc2F)n1C ZINC000089674470 426301811 /nfs/dbraw/zinc/30/18/11/426301811.db2.gz ASDIOSLNOCNBNM-VNHYZAJKSA-N 2 0 318.440 2.573 20 0 DFADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]CCc1nc2c(cccc2F)n1C ZINC000089674464 426301894 /nfs/dbraw/zinc/30/18/94/426301894.db2.gz ASDIOSLNOCNBNM-NFAWXSAZSA-N 2 0 318.440 2.573 20 0 DFADRP Cc1cc2ccccc2nc1N1CCC([N@H+](C)CCCO)CC1 ZINC000151643145 426305385 /nfs/dbraw/zinc/30/53/85/426305385.db2.gz HEXOKZCGIAVTFT-UHFFFAOYSA-N 2 0 313.445 2.826 20 0 DFADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1[NH2+]CCCN(C)C(=O)OC(C)(C)C ZINC000120258629 426308718 /nfs/dbraw/zinc/30/87/18/426308718.db2.gz RLYXYXLLTWIUJL-ILXRZTDVSA-N 2 0 313.486 2.562 20 0 DFADRP CC[C@H](COC)[NH2+]CC1CC[NH+](Cc2ccc(OC)cc2)CC1 ZINC000120687817 426313527 /nfs/dbraw/zinc/31/35/27/426313527.db2.gz CQDAUQTYCGIYRN-GOSISDBHSA-N 2 0 320.477 2.922 20 0 DFADRP Cc1ccc2c(c1)[C@H]([NH2+]CC1CC[NH+](CCO)CC1)CCCO2 ZINC000151841637 426315196 /nfs/dbraw/zinc/31/51/96/426315196.db2.gz XQNNJDDVPPVFPI-GOSISDBHSA-N 2 0 318.461 2.503 20 0 DFADRP Cc1cc([C@H](C)[NH2+]CC2CC[NH+](CCO)CC2)cc(C)c1F ZINC000151886164 426317743 /nfs/dbraw/zinc/31/77/43/426317743.db2.gz RQAIGBHDHAYYIK-HNNXBMFYSA-N 2 0 308.441 2.797 20 0 DFADRP COc1cc(CN(C)C[C@H]2CC[N@H+](C)C2)cc(Cl)c1OC ZINC000120993911 426318978 /nfs/dbraw/zinc/31/89/78/426318978.db2.gz LHJXEJGXMQAERT-LBPRGKRZSA-N 2 0 312.841 2.741 20 0 DFADRP C[C@@H](CCc1ccc2c(c1)OCO2)[NH2+]C[C@H]1CCC[N@H+](C)C1 ZINC000121225902 426326728 /nfs/dbraw/zinc/32/67/28/426326728.db2.gz WFEMVBUJNIRZNP-GOEBONIOSA-N 2 0 304.434 2.668 20 0 DFADRP CC[N@@H+]1CC[C@@H]([NH2+]CCc2nnc(-c3ccccc3)o2)[C@H](C)C1 ZINC000090658564 426329173 /nfs/dbraw/zinc/32/91/73/426329173.db2.gz JMQOTWCQEZLPGE-GDBMZVCRSA-N 2 0 314.433 2.599 20 0 DFADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]CCc1nnc(-c2ccccc2)o1 ZINC000090659846 426329738 /nfs/dbraw/zinc/32/97/38/426329738.db2.gz QEIIEVODAHKLJJ-IIAWOOMASA-N 2 0 314.433 2.597 20 0 DFADRP Cc1ncsc1CNc1ncnc2c1cnn2-c1ccncc1 ZINC000119302420 426277395 /nfs/dbraw/zinc/27/73/95/426277395.db2.gz IDLCJWGBGXVHKY-UHFFFAOYSA-N 2 0 323.385 2.588 20 0 DFADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]CC1CCN(c2cc[nH+]cc2)CC1 ZINC000089214965 426282285 /nfs/dbraw/zinc/28/22/85/426282285.db2.gz JQQZQVHHAQELDL-GPMSIDNRSA-N 3 0 316.493 2.616 20 0 DFADRP CC[N@@H+]1CC[C@@H]([NH2+]CC2CCN(c3cc[nH+]cc3)CC2)[C@H](C)C1 ZINC000089215577 426282440 /nfs/dbraw/zinc/28/24/40/426282440.db2.gz CXQYCXXTEUXKST-VQIMIIECSA-N 3 0 316.493 2.618 20 0 DFADRP C[C@@H](C(=O)N1CCC(C[NH+]2CCCC2)CC1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000175180903 426286221 /nfs/dbraw/zinc/28/62/21/426286221.db2.gz LPOJTNOMVSLQFH-BBWFWOEESA-N 2 0 321.509 2.582 20 0 DFADRP COC(=O)c1ccc(CN2CC[C@@H](C[NH+]3CCCCC3)C2)s1 ZINC000119427996 426287694 /nfs/dbraw/zinc/28/76/94/426287694.db2.gz OZBDMWWIWAQQRU-AWEZNQCLSA-N 2 0 322.474 2.843 20 0 DFADRP CSC[C@@](C)(O)C[NH2+]C1CC[NH+](CC2CCCCC2)CC1 ZINC000153650036 426396848 /nfs/dbraw/zinc/39/68/48/426396848.db2.gz MEOSDZHJUSYULJ-KRWDZBQOSA-N 2 0 314.539 2.735 20 0 DFADRP CC[C@@H]1CN(CC(=O)Nc2ccc(Cl)cc2C)CC[C@@H]1[NH3+] ZINC000122839708 426397587 /nfs/dbraw/zinc/39/75/87/426397587.db2.gz TUPHETKVULEXNQ-OCCSQVGLSA-N 2 0 309.841 2.646 20 0 DFADRP C[NH+](C)C[C@H]1CCN(Cc2ccnc(-c3ccc(F)cc3)n2)C1 ZINC000153672420 426398922 /nfs/dbraw/zinc/39/89/22/426398922.db2.gz QVOOAOWZRHRIHQ-CQSZACIVSA-N 2 0 314.408 2.666 20 0 DFADRP C[C@H]1CCCC[C@H]1[NH2+]CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000176042853 426347402 /nfs/dbraw/zinc/34/74/02/426347402.db2.gz UTYVVQKTHSEEFR-JQHSSLGASA-N 2 0 317.477 2.574 20 0 DFADRP CC(C)N(C)C(=O)[C@H](C)[NH+]1CCC(CCC[NH+]2CCCC2)CC1 ZINC000122045251 426357354 /nfs/dbraw/zinc/35/73/54/426357354.db2.gz LDHUJSFAICKUCQ-KRWDZBQOSA-N 2 0 323.525 2.830 20 0 DFADRP COCC[C@H](C)[NH2+]Cc1ccccc1C[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000176219710 426362433 /nfs/dbraw/zinc/36/24/33/426362433.db2.gz JWFVCQNQTMOCGQ-ULQDDVLXSA-N 2 0 320.477 2.810 20 0 DFADRP C[NH+]1CCC(NC[C@@]2(C)CCC[N@@H+]2Cc2ccccc2)CC1 ZINC000152955237 426362421 /nfs/dbraw/zinc/36/24/21/426362421.db2.gz SFBAHKRBLRTTQZ-LJQANCHMSA-N 2 0 301.478 2.725 20 0 DFADRP COCC[N@H+](C)CCCC1CC[NH+](CCc2ccccn2)CC1 ZINC000122212266 426364511 /nfs/dbraw/zinc/36/45/11/426364511.db2.gz LPUHJHBAKODJDE-UHFFFAOYSA-N 2 0 319.493 2.695 20 0 DFADRP COCC[N@H+](C)CCC[NH2+][C@H]1CSCCc2ccccc21 ZINC000153780024 426405924 /nfs/dbraw/zinc/40/59/24/426405924.db2.gz JSEPHMUQBJUMON-KRWDZBQOSA-N 2 0 308.491 2.575 20 0 DFADRP C[C@H]1C[N@H+](C)CC[C@@H]1NCc1ccnc(OC2CCCC2)c1 ZINC000153351262 426381307 /nfs/dbraw/zinc/38/13/07/426381307.db2.gz YFDGYMZQNMKEHC-YOEHRIQHSA-N 2 0 303.450 2.833 20 0 DFADRP C[C@H](c1ccc(Cl)cc1)[N@H+](C)CCCN1CC[NH+](C)CC1 ZINC000122712879 426389235 /nfs/dbraw/zinc/38/92/35/426389235.db2.gz CTYURTPCQJBXGU-OAHLLOKOSA-N 2 0 309.885 2.970 20 0 DFADRP CCOc1ccc(CN[C@@H]2C[C@H](C)[N@H+](C)C[C@@H]2C)cc1OC ZINC000153840221 426408716 /nfs/dbraw/zinc/40/87/16/426408716.db2.gz YUKJBQGHIYBMKJ-OFQRWUPVSA-N 2 0 306.450 2.912 20 0 DFADRP CN(C(=O)C[NH+]1CCC(CCC[NH+](C)C)CC1)C1CCCCC1 ZINC000123257595 426422180 /nfs/dbraw/zinc/42/21/80/426422180.db2.gz GTJDJGRDWWXTCK-UHFFFAOYSA-N 2 0 323.525 2.831 20 0 DFADRP COCCOc1ccc(C[NH2+][C@@H]2C[C@@H](C)[N@H+](C)C[C@H]2C)cc1 ZINC000154074941 426423261 /nfs/dbraw/zinc/42/32/61/426423261.db2.gz KJCXSWGOAPGEMO-IIDMSEBBSA-N 2 0 306.450 2.530 20 0 DFADRP CC[NH+]1CCN([C@@H]2CC[N@H+](CC[C@@H]3CCC[C@H](C)C3)C2)CC1 ZINC000154104632 426424368 /nfs/dbraw/zinc/42/43/68/426424368.db2.gz SBDYNSORHMPPGT-GBESFXJTSA-N 2 0 307.526 2.915 20 0 DFADRP CC[C@@H]([NH2+]CCCN1CC[NH+](CC)CC1)c1cccc(OC)c1 ZINC000154239711 426431337 /nfs/dbraw/zinc/43/13/37/426431337.db2.gz MTSXNSPNJCGDKN-LJQANCHMSA-N 2 0 319.493 2.764 20 0 DFADRP CC[NH+]1CCN(CCC[NH2+][C@H]2c3ccccc3C[C@H]2C)CC1 ZINC000154259078 426432560 /nfs/dbraw/zinc/43/25/60/426432560.db2.gz NFLKWYABRCJFME-VQIMIIECSA-N 2 0 301.478 2.537 20 0 DFADRP CC[NH+]1CCN(CCC[NH2+][C@H]2CCCOc3ccccc32)CC1 ZINC000154294590 426434554 /nfs/dbraw/zinc/43/45/54/426434554.db2.gz YKMNKGHGMMXOAU-SFHVURJKSA-N 2 0 317.477 2.518 20 0 DFADRP Cn1ccnc1C[C@H]1CCC[N@H+](CCCOCC(F)(F)F)C1 ZINC000123540900 426438760 /nfs/dbraw/zinc/43/87/60/426438760.db2.gz SFQXOJBXEIMRND-CYBMUJFWSA-N 2 0 319.371 2.644 20 0 DFADRP CC(C)[C@@H](CCO)[NH2+][C@@H](C)c1cccc(OCC[NH+](C)C)c1 ZINC000123584148 426441324 /nfs/dbraw/zinc/44/13/24/426441324.db2.gz VLNQQCVIKDRWGE-MAUKXSAKSA-N 2 0 308.466 2.685 20 0 DFADRP C[C@]1(C[N@@H+]2CC[C@H](OCCCc3ccccc3)C2)CC[NH2+]C1 ZINC000340706153 269002311 /nfs/dbraw/zinc/00/23/11/269002311.db2.gz GFSPNZXDDUEVOI-OALUTQOASA-N 2 0 302.462 2.710 20 0 DFADRP CCc1ccccc1NC(=O)C[C@@H](C)[NH2+]C[C@@H]1CCCN1C ZINC000154568333 426446234 /nfs/dbraw/zinc/44/62/34/426446234.db2.gz UKSUOKQRZHPNED-ZBFHGGJFSA-N 2 0 303.450 2.650 20 0 DFADRP C[NH+]1CCC(C[NH2+]C[C@H]2CC=CCC2)(N2CCCCC2)CC1 ZINC000123834757 426454691 /nfs/dbraw/zinc/45/46/91/426454691.db2.gz SODLRKSVCXSCRY-SFHVURJKSA-N 2 0 305.510 2.883 20 0 DFADRP CC[NH+]1CCN(Cc2ccc(C[NH2+][C@@H](C)C3CC3)cc2)CC1 ZINC000177223679 426456828 /nfs/dbraw/zinc/45/68/28/426456828.db2.gz WMLHGFYDJKWDHM-INIZCTEOSA-N 2 0 301.478 2.712 20 0 DFADRP C[C@@H](CN1CC[NH+](C)CC1)[NH2+][C@@H]1c2cccc(F)c2CC[C@@H]1C ZINC000154906779 426458552 /nfs/dbraw/zinc/45/85/52/426458552.db2.gz UWTVWBYPGFIKMO-DOXZYTNZSA-N 2 0 319.468 2.675 20 0 DFADRP CC[N@H+](Cc1ccc(C(=O)N[C@](C)(C[NH3+])C2CC2)cc1)C1CC1 ZINC000154938933 426460133 /nfs/dbraw/zinc/46/01/33/426460133.db2.gz CUQLICKVVWAIGW-LJQANCHMSA-N 2 0 315.461 2.528 20 0 DFADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CCc2ccccc2O)[C@H](C)C1 ZINC000154945048 426460282 /nfs/dbraw/zinc/46/02/82/426460282.db2.gz WUSTUDCSMSBOFL-SJLPKXTDSA-N 2 0 320.477 2.661 20 0 DFADRP CC1CC[NH+](CCC[NH2+]C2CCN(c3ccccn3)CC2)CC1 ZINC000124053934 426467764 /nfs/dbraw/zinc/46/77/64/426467764.db2.gz WJSGGBIIBPLQPX-UHFFFAOYSA-N 2 0 316.493 2.762 20 0 DFADRP COCC[C@H](C)[NH2+]Cc1ccc(C[NH+]2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000124187086 426474849 /nfs/dbraw/zinc/47/48/49/426474849.db2.gz IURAHLYZMCSEFC-GVDBMIGSSA-N 2 0 320.477 2.810 20 0 DFADRP Cc1ccc([C@@H](C)[NH2+]CC2CC[NH+](CCN(C)C)CC2)s1 ZINC000124320134 426479767 /nfs/dbraw/zinc/47/97/67/426479767.db2.gz RBNOAUKHBIIZGL-OAHLLOKOSA-N 2 0 309.523 2.981 20 0 DFADRP CC(C)c1nc([C@@H](C)[NH2+]CCN2CCC([NH+](C)C)CC2)cs1 ZINC000186374145 426515744 /nfs/dbraw/zinc/51/57/44/426515744.db2.gz HDJOOXDEWARNBX-CQSZACIVSA-N 2 0 324.538 2.943 20 0 DFADRP Cc1ccc(C[NH2+]CCc2ccc(OCC[NH+](C)C)cc2)o1 ZINC000264236020 426522688 /nfs/dbraw/zinc/52/26/88/426522688.db2.gz DHTCXTFODDKOMA-UHFFFAOYSA-N 2 0 302.418 2.861 20 0 DFADRP C[C@H]([NH2+]Cc1cccnc1N1CC[NH+](C)CC1)c1ccsc1 ZINC000177808868 426524967 /nfs/dbraw/zinc/52/49/67/426524967.db2.gz OQFFXGXVQKDROO-AWEZNQCLSA-N 2 0 316.474 2.746 20 0 DFADRP CCc1ccc([C@@H](C)[NH2+][C@@H](C)CCN2CC[NH+](C)CC2)cc1 ZINC000186576322 426554946 /nfs/dbraw/zinc/55/49/46/426554946.db2.gz OCICDNREGUOUTP-DLBZAZTESA-N 2 0 303.494 2.926 20 0 DFADRP CCOc1ccc([C@H](C)[NH2+][C@@H](C)CCN2CC[NH+](C)CC2)cc1 ZINC000186574361 426555073 /nfs/dbraw/zinc/55/50/73/426555073.db2.gz DFWRJLJWUBVQRQ-IRXDYDNUSA-N 2 0 319.493 2.762 20 0 DFADRP C[C@H](CCC1CC1)[NH2+]Cc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC000186499196 426540108 /nfs/dbraw/zinc/54/01/08/426540108.db2.gz NNLAYFFXDGKXME-BEFAXECRSA-N 2 0 302.462 2.922 20 0 DFADRP C[C@H]([NH2+]CC(C)(C)CCO)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272536762 426552218 /nfs/dbraw/zinc/55/22/18/426552218.db2.gz BXJCVZKVISRJNB-WMZOPIPTSA-N 2 0 304.478 2.895 20 0 DFADRP CC[N@H+](Cc1ccc(C(=O)NCC2=CC[NH2+]CC2)cc1)C(C)C ZINC000186273532 426499181 /nfs/dbraw/zinc/49/91/81/426499181.db2.gz GFYWICMXAAYEBH-UHFFFAOYSA-N 2 0 315.461 2.566 20 0 DFADRP CC(C)c1nc([C@@H](C)[NH2+]C[C@@H](C)CN2CC[NH+](C)CC2)cs1 ZINC000186318422 426504552 /nfs/dbraw/zinc/50/45/52/426504552.db2.gz RGAXRWUGNVZGGI-HUUCEWRRSA-N 2 0 324.538 2.801 20 0 DFADRP CCC(C)(C)[NH2+][C@H](C)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000273198753 426612441 /nfs/dbraw/zinc/61/24/41/426612441.db2.gz IIAOWAKCNOFEGH-WBVHZDCISA-N 2 0 317.477 2.544 20 0 DFADRP c1ccc(C[NH+]2C[C@@H]3C[N@@H+](C[C@H]4CCCCO4)C[C@@H]3C2)cc1 ZINC000280627120 426618925 /nfs/dbraw/zinc/61/89/25/426618925.db2.gz YPMXPTSHTGKRQX-CEXWTWQISA-N 2 0 300.446 2.619 20 0 DFADRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+][C@H]1CCCc2cc(F)ccc21 ZINC000186586169 426556145 /nfs/dbraw/zinc/55/61/45/426556145.db2.gz BBHBNBKWPJWJNR-BEFAXECRSA-N 2 0 319.468 2.819 20 0 DFADRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+][C@@H](C)[C@@H](C)c1ccccc1 ZINC000186586494 426557007 /nfs/dbraw/zinc/55/70/07/426557007.db2.gz YWZACBVRXQXRQV-KURKYZTESA-N 2 0 303.494 2.794 20 0 DFADRP C[C@@H](CC(=O)Nc1cccc(F)c1)[NH2+]CC1(C)CC[NH+](C)CC1 ZINC000272550216 426556936 /nfs/dbraw/zinc/55/69/36/426556936.db2.gz LYOTXPBDEXDHHB-AWEZNQCLSA-N 2 0 321.440 2.864 20 0 DFADRP CC[NH+]1CCN([C@@H](C)C[NH2+][C@@H](Cc2ccccc2)C(C)C)CC1 ZINC000187003834 426620334 /nfs/dbraw/zinc/62/03/34/426620334.db2.gz IKQNMYVAMYWAKW-ICSRJNTNSA-N 2 0 317.521 2.869 20 0 DFADRP C[C@H]1C[NH+](CCCC[NH2+][C@@H]2CC(C)(C)OC2(C)C)C[C@H](C)O1 ZINC000178040148 426560561 /nfs/dbraw/zinc/56/05/61/426560561.db2.gz JIIXRNJXOTYWIX-HRCADAONSA-N 2 0 312.498 2.812 20 0 DFADRP C[C@@H]1C[C@@H](N[C@@H]2CC[NH+](C3CC3)C2)CC[N@@H+]1Cc1ccccc1 ZINC000178741387 426686263 /nfs/dbraw/zinc/68/62/63/426686263.db2.gz NTVQOUAGZQGSPI-NZSAHSFTSA-N 2 0 313.489 2.866 20 0 DFADRP COc1ccc(CN(C)[C@@H]2CCC[NH2+]CC2)c(Cl)c1OC ZINC000231465002 426651518 /nfs/dbraw/zinc/65/15/18/426651518.db2.gz QRRKPFDQLMUECE-CYBMUJFWSA-N 2 0 312.841 2.931 20 0 DFADRP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)Nc1ccc(CC[NH+]2CCCC2)cc1 ZINC000289469442 426667464 /nfs/dbraw/zinc/66/74/64/426667464.db2.gz ASTRNBLGSKLLOQ-ROUUACIJSA-N 2 0 315.461 2.652 20 0 DFADRP Cc1cccc(C)c1C[N@@H+](C)CC1CC[NH+](C[C@@H](C)O)CC1 ZINC000265640707 426667603 /nfs/dbraw/zinc/66/76/03/426667603.db2.gz JSANHEIEWQTVNH-QGZVFWFLSA-N 2 0 304.478 2.828 20 0 DFADRP CCC(CC)(C[NH3+])C(=O)NCc1cccc(C[N@H+](C)C(C)C)c1 ZINC000236684065 426675213 /nfs/dbraw/zinc/67/52/13/426675213.db2.gz NXMFRCLKUJVQSR-UHFFFAOYSA-N 2 0 319.493 2.908 20 0 DFADRP COC[C@H]([NH2+]CCCCC[NH+]1CCCCC1)C1CCOCC1 ZINC000188007125 426713652 /nfs/dbraw/zinc/71/36/52/426713652.db2.gz GPJVJRMQSFOCQA-SFHVURJKSA-N 2 0 312.498 2.674 20 0 DFADRP C[C@@H]([NH2+]Cc1ccc(C[NH+]2CCC(O)CC2)cc1)C1CCC1 ZINC000178794006 426696355 /nfs/dbraw/zinc/69/63/55/426696355.db2.gz RQNHIAFSCNRJSN-OAHLLOKOSA-N 2 0 302.462 2.922 20 0 DFADRP [NH3+]CCCCCCC(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000237988153 426701660 /nfs/dbraw/zinc/70/16/60/426701660.db2.gz JBDYFKNAPQSKNB-HNNXBMFYSA-N 2 0 323.506 2.910 20 0 DFADRP C[C@@H]([NH2+]CCCC[N@@H+]1CCC[C@H]1CO)c1cccc(F)c1F ZINC000245901710 426781299 /nfs/dbraw/zinc/78/12/99/426781299.db2.gz NYZZOWZQTWQYMX-KGLIPLIRSA-N 2 0 312.404 2.852 20 0 DFADRP CC[NH+](CC)[C@H](C(=O)N1CCC[C@H](CC[NH3+])C1)c1ccccc1 ZINC000281883474 426783655 /nfs/dbraw/zinc/78/36/55/426783655.db2.gz GKRRRZCCPBBPTG-AEFFLSMTSA-N 2 0 317.477 2.657 20 0 DFADRP COC(=O)[C@@H](c1ccccc1)N1CCC[C@H]1Cn1ccnc1C ZINC000245930459 426784228 /nfs/dbraw/zinc/78/42/28/426784228.db2.gz JBIBAJWAMKNWPA-DLBZAZTESA-N 2 0 313.401 2.570 20 0 DFADRP CCc1cccc(C[NH+]2CCC(C[NH+]3CCOCC3)CC2)c1 ZINC000188772481 426785876 /nfs/dbraw/zinc/78/58/76/426785876.db2.gz YENWEAVFQVLUTM-UHFFFAOYSA-N 2 0 302.462 2.793 20 0 DFADRP C[N@H+](CCCc1cc(-c2ccccc2)n[nH]1)CC1CC[NH2+]CC1 ZINC000178959323 426725854 /nfs/dbraw/zinc/72/58/54/426725854.db2.gz IPPXWXYDWXHFEA-UHFFFAOYSA-N 2 0 312.461 2.941 20 0 DFADRP COc1cccc(C[N@H+](C[C@@H]2CCCO2)CC2CC[NH2+]CC2)c1 ZINC000178966254 426726827 /nfs/dbraw/zinc/72/68/27/426726827.db2.gz BTKZZPIZMAWSPC-IBGZPJMESA-N 2 0 318.461 2.676 20 0 DFADRP CC1(C)[C@H]([NH2+]C[C@H](O)C[NH+]2CCCC2)C[C@@H]1c1ccccc1 ZINC000274263331 426733337 /nfs/dbraw/zinc/73/33/37/426733337.db2.gz KUMSRKWKPMHBOT-RCCFBDPRSA-N 2 0 302.462 2.615 20 0 DFADRP CCn1nc(CN2CCC[C@@H]3C[N@H+](C)CC[C@H]32)c2ccccc21 ZINC000290309987 426739649 /nfs/dbraw/zinc/73/96/49/426739649.db2.gz CAIGHXXPRHSWET-CRAIPNDOSA-N 2 0 312.461 2.972 20 0 DFADRP COc1cccc(C[N@@H+]2CC[C@H](C3CC[NH+](C)CC3)C2)c1OC ZINC000290345338 426746678 /nfs/dbraw/zinc/74/66/78/426746678.db2.gz FUAKSNYJHMDYGX-INIZCTEOSA-N 2 0 318.461 2.868 20 0 DFADRP COc1ccc(C[N@@H+]2CC[C@@H](C3CC[NH+](C)CC3)C2)cc1OC ZINC000290348743 426747669 /nfs/dbraw/zinc/74/76/69/426747669.db2.gz FYLYNTHGLIOGPJ-QGZVFWFLSA-N 2 0 318.461 2.868 20 0 DFADRP CCn1nc(C[NH2+]CC2(C)CC[NH+](C)CC2)c2ccccc21 ZINC000274382122 426756588 /nfs/dbraw/zinc/75/65/88/426756588.db2.gz AOERDYQNBPBQMO-UHFFFAOYSA-N 2 0 300.450 2.878 20 0 DFADRP COc1cccc(CN2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)n1 ZINC000179176201 426764439 /nfs/dbraw/zinc/76/44/39/426764439.db2.gz NHECKXROPHMXKJ-PBHICJAKSA-N 2 0 301.434 2.539 20 0 DFADRP CCC(C)(C)[NH2+][C@H](C)C(=O)NC[C@H](c1ccco1)[NH+]1CCCC1 ZINC000274631138 426807626 /nfs/dbraw/zinc/80/76/26/426807626.db2.gz WDBUBSNSMNDZAY-HUUCEWRRSA-N 2 0 321.465 2.699 20 0 DFADRP CC[N@@H+]1CC[C@H](N(C)CC(=O)NCCC2CCCCC2)[C@@H](C)C1 ZINC000246401567 426830151 /nfs/dbraw/zinc/83/01/51/426830151.db2.gz ANHRHCKKKWJJAL-WMZOPIPTSA-N 2 0 323.525 2.735 20 0 DFADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]C[C@@H]1CCN(C)c2ccccc21 ZINC000180018443 426830453 /nfs/dbraw/zinc/83/04/53/426830453.db2.gz FXXKUNFKFZSSHF-XLMAVXFVSA-N 2 0 301.478 2.928 20 0 DFADRP CC(C)CC[NH+]1CCC(C[NH2+]Cc2c[nH]c3nccnc23)CC1 ZINC000290773370 426836194 /nfs/dbraw/zinc/83/61/94/426836194.db2.gz BKABUBSXTIRRQR-UHFFFAOYSA-N 2 0 315.465 2.806 20 0 DFADRP CC[C@@H]([NH2+]C[C@H](C)N1CC[NH+](CC)CC1)c1ccccc1F ZINC000180119592 426839056 /nfs/dbraw/zinc/83/90/56/426839056.db2.gz IJSNIESCQVMPMZ-MAUKXSAKSA-N 2 0 307.457 2.892 20 0 DFADRP C[C@H]1CCCC[N@@H+]1Cc1ccc(NC(=O)[C@H]2CC[NH2+]C2)cc1 ZINC000246501900 426839295 /nfs/dbraw/zinc/83/92/95/426839295.db2.gz QAYNOXULCGSAAW-HOCLYGCPSA-N 2 0 301.434 2.609 20 0 DFADRP C[C@H](CCc1ccc(F)cc1)[NH2+]CCN1CC[N@H+](C)C(C)(C)C1 ZINC000282163642 426843084 /nfs/dbraw/zinc/84/30/84/426843084.db2.gz DNOAVYQKRGZLKC-MRXNPFEDSA-N 2 0 321.484 2.762 20 0 DFADRP CCc1nc2ccccc2n1CC(=O)Nc1ccnc(N(C)C)c1 ZINC000267246741 426853977 /nfs/dbraw/zinc/85/39/77/426853977.db2.gz NPKWWEPITOVQCM-UHFFFAOYSA-N 2 0 323.400 2.698 20 0 DFADRP C[C@H](NCC(C)(C)[NH+](C)C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000274888845 426856136 /nfs/dbraw/zinc/85/61/36/426856136.db2.gz JAMFBFSMAYBCDZ-FUHWJXTLSA-N 2 0 303.494 2.827 20 0 DFADRP C[C@H](C[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1)c1nc(-c2ccccc2)no1 ZINC000179478761 426793059 /nfs/dbraw/zinc/79/30/59/426793059.db2.gz ODYGXZAEVYLAML-IJEWVQPXSA-N 2 0 314.433 2.912 20 0 DFADRP C[C@H](NC[C@H]1CCCC[NH2+]1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000309876672 426918562 /nfs/dbraw/zinc/91/85/62/426918562.db2.gz UILHKKVZRMJCFC-YTQUADARSA-N 3 0 301.478 2.629 20 0 DFADRP C[C@@H]1C[C@H](N(C)CC(=O)N2CCC[C@@H]3CCCC[C@@H]32)CC[N@@H+]1C ZINC000246728886 426861462 /nfs/dbraw/zinc/86/14/62/426861462.db2.gz MACGGTLWRREXJN-XDNAFOTISA-N 2 0 321.509 2.582 20 0 DFADRP CC(C)[NH+]1CCC([NH2+]C[C@@H]2COC3(CCCCCC3)O2)CC1 ZINC000180462651 426861538 /nfs/dbraw/zinc/86/15/38/426861538.db2.gz PAPCZXZGUONMTC-QGZVFWFLSA-N 2 0 310.482 2.915 20 0 DFADRP CC[NH+](CC)C[C@@H]1CCN(CCOCC(F)(F)C(F)F)C1 ZINC000189476434 426863932 /nfs/dbraw/zinc/86/39/32/426863932.db2.gz VDFXRQWIRUKLNQ-LBPRGKRZSA-N 2 0 314.367 2.567 20 0 DFADRP C[N@H+](CCOCC(F)F)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000189482850 426864980 /nfs/dbraw/zinc/86/49/80/426864980.db2.gz ZQYDJROIEIIJGV-MRXNPFEDSA-N 2 0 312.404 2.722 20 0 DFADRP Clc1cnccc1NCc1ccnc(N2CCOCC2)c1 ZINC000267343677 426877096 /nfs/dbraw/zinc/87/70/96/426877096.db2.gz FCEASFRVYBFCFZ-UHFFFAOYSA-N 2 0 304.781 2.579 20 0 DFADRP CC[N@@H+]1CC[C@H]([NH2+]CCCOCc2ccc(OC)cc2)[C@@H](C)C1 ZINC000246956274 426883443 /nfs/dbraw/zinc/88/34/43/426883443.db2.gz IOQJAYNNKZPYBS-LPHOPBHVSA-N 2 0 320.477 2.922 20 0 DFADRP C[C@H]1CSC[C@H]1[NH2+]CCc1ccc(OCC[NH+](C)C)cc1 ZINC000295299587 426896448 /nfs/dbraw/zinc/89/64/48/426896448.db2.gz XMCOUADCZGZEPE-WMLDXEAASA-N 2 0 308.491 2.511 20 0 DFADRP C[N@@H+]1CCN(CC[NH2+][C@@H]2CCSc3ccccc32)CC1(C)C ZINC000282387812 426898534 /nfs/dbraw/zinc/89/85/34/426898534.db2.gz RAMLCLNHULMFEW-MRXNPFEDSA-N 2 0 319.518 2.839 20 0 DFADRP COc1ccc([C@H](C)[NH2+]CCN2CC[N@H+](C)C(C)(C)C2)cc1C ZINC000282404552 426905028 /nfs/dbraw/zinc/90/50/28/426905028.db2.gz RVHXULNMQMSWAL-INIZCTEOSA-N 2 0 319.493 2.680 20 0 DFADRP CC(C)[NH+]1CCC(N(C)C(=O)c2sccc2C[NH+](C)C)CC1 ZINC000268075808 426905563 /nfs/dbraw/zinc/90/55/63/426905563.db2.gz DVPAIIPWKVIXGX-UHFFFAOYSA-N 2 0 323.506 2.755 20 0 DFADRP C[C@@H](c1cccnc1)N1CCN(CC[C@H]2CCCC[N@@H+]2C)CC1 ZINC000268071362 426906721 /nfs/dbraw/zinc/90/67/21/426906721.db2.gz CKZXMHDDMYXICD-PKOBYXMFSA-N 2 0 316.493 2.635 20 0 DFADRP CC(C)C[C@H](C[NH3+])CC(=O)NC[C@]1([NH+](C)C)CCC[C@H](C)C1 ZINC000316745267 426949516 /nfs/dbraw/zinc/94/95/16/426949516.db2.gz LKBFZCIBEJHRLL-BQFCYCMXSA-N 2 0 311.514 2.624 20 0 DFADRP CC(C)(C)[NH+]1CCC([NH2+][C@@H]2CCO[C@]3(CCSC3)C2)CC1 ZINC000181452867 426949702 /nfs/dbraw/zinc/94/97/02/426949702.db2.gz UQIFUWCMGKKOHI-NVXWUHKLSA-N 2 0 312.523 2.894 20 0 DFADRP CC[C@@H]1C[N@H+](CCCc2nc(-c3cccs3)no2)CC[C@@H]1[NH3+] ZINC000316909266 426952903 /nfs/dbraw/zinc/95/29/03/426952903.db2.gz VHBCBNNTYYNLLS-OLZOCXBDSA-N 2 0 320.462 2.790 20 0 DFADRP COc1ccc2c(c1)C[C@H]([NH2+][C@H]1CC[N@@H+]3CCC[C@@H]3C1)CC2 ZINC000317064268 426954393 /nfs/dbraw/zinc/95/43/93/426954393.db2.gz YRSNSZRSAYXDAA-FGTMMUONSA-N 2 0 300.446 2.769 20 0 DFADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+][C@@H](C)c1ccc2[nH]c(=O)[nH]c2c1 ZINC000321015850 426966066 /nfs/dbraw/zinc/96/60/66/426966066.db2.gz UARRBHPUMCBSLK-IPYPFGDCSA-N 2 0 316.449 2.818 20 0 DFADRP CCN(CC)C(=O)C[C@H](C)[NH2+][C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000248402546 426994712 /nfs/dbraw/zinc/99/47/12/426994712.db2.gz NHPLMEHOGVAICF-ULQDDVLXSA-N 2 0 323.525 2.876 20 0 DFADRP C[N@@H+]1CCC[C@@H]2CN(C[C@H](O)c3ccccc3Cl)CC[C@H]21 ZINC000248055800 426979261 /nfs/dbraw/zinc/97/92/61/426979261.db2.gz XGYYKEZTZJBEKD-XYPHTWIQSA-N 2 0 308.853 2.790 20 0 DFADRP CC[N@@H+]1CC[C@H]([NH2+][C@@H]2CCCN(c3ccccc3)C2)[C@@H](C)C1 ZINC000248199649 426985976 /nfs/dbraw/zinc/98/59/76/426985976.db2.gz YFNVEPIXJAMATC-SCTDSRPQSA-N 2 0 301.478 2.975 20 0 DFADRP CC(C)CN1CCO[C@H](C[NH2+][C@@H](C)c2ccc(F)c(F)c2)C1 ZINC000181907552 426992415 /nfs/dbraw/zinc/99/24/15/426992415.db2.gz YYIOBCHGBVRLHU-DZGCQCFKSA-N 2 0 312.404 2.972 20 0 DFADRP CCC[N@H+](C)C[C@H]1CCN(C(=O)c2sccc2C[NH+](C)C)C1 ZINC000268172455 426936990 /nfs/dbraw/zinc/93/69/90/426936990.db2.gz VGXPJWCUMPPMFD-CQSZACIVSA-N 2 0 323.506 2.614 20 0 DFADRP FC(F)COCC[NH+]1CCC(CCC[NH+]2CCCC2)CC1 ZINC000189743452 426939999 /nfs/dbraw/zinc/93/99/99/426939999.db2.gz ILSVLFVLYGUIDU-UHFFFAOYSA-N 2 0 304.425 2.856 20 0 DFADRP Cc1nccn1C[C@H]1CCC[N@@H+]1CC1CCC2(CC1)OCCO2 ZINC000190266771 427058761 /nfs/dbraw/zinc/05/87/61/427058761.db2.gz KULKRIUDHVOBSM-QGZVFWFLSA-N 2 0 319.449 2.589 20 0 DFADRP CC(C)[C@@H](Cn1cccn1)[NH2+]Cc1cccc(C[NH+](C)C)c1 ZINC000296051206 427059081 /nfs/dbraw/zinc/05/90/81/427059081.db2.gz RCJJOJCSTIQFTB-GOSISDBHSA-N 2 0 300.450 2.759 20 0 DFADRP CCOC(=O)[C@](C)(C[NH2+]C1CC[NH+](CC)CC1)c1ccccc1 ZINC000276200453 427007147 /nfs/dbraw/zinc/00/71/47/427007147.db2.gz NNQGCLOSMZAZBN-LJQANCHMSA-N 2 0 318.461 2.581 20 0 DFADRP CCOC(=O)[C@H](CC(C)C)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000182184135 427020874 /nfs/dbraw/zinc/02/08/74/427020874.db2.gz DYJSUIIZGAPEBR-IRXDYDNUSA-N 2 0 310.482 2.915 20 0 DFADRP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1ccc(-n2cncn2)cc1 ZINC000295948289 427024001 /nfs/dbraw/zinc/02/40/01/427024001.db2.gz LZBRTZDPPNXRTM-PNFOFYCQSA-N 2 0 311.433 2.543 20 0 DFADRP O[C@@H](C[NH+]1CCC[C@@H]1C1CCC1)C[N@@H+]1CCC[C@H]1C1CCC1 ZINC000248727606 427033667 /nfs/dbraw/zinc/03/36/67/427033667.db2.gz IYQQASCIZYTHMT-REPLKXPHSA-N 2 0 306.494 2.876 20 0 DFADRP COCCC[C@@H](C)[NH2+]Cc1ccccc1C[N@@H+]1CCC[C@@H]1CO ZINC000182235184 427033759 /nfs/dbraw/zinc/03/37/59/427033759.db2.gz VEWLUFGMIITVII-VQIMIIECSA-N 2 0 320.477 2.548 20 0 DFADRP C[N@@H+]1CCCC[C@H]1CC[NH+]1CC[C@@H](CNc2ccccn2)C1 ZINC000268545124 427049418 /nfs/dbraw/zinc/04/94/18/427049418.db2.gz LYQOLZHNHOIXEJ-IRXDYDNUSA-N 2 0 302.466 2.690 20 0 DFADRP C[C@H]([NH2+]CCO[C@H]1CCCCO1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000248839217 427050708 /nfs/dbraw/zinc/05/07/08/427050708.db2.gz PUPZGXHCTZFKON-BQFCYCMXSA-N 2 0 310.482 2.772 20 0 DFADRP CC[NH+](CC)[C@H](C(=O)N[C@H](C)CCCC[NH3+])c1ccccc1 ZINC000292030559 427065005 /nfs/dbraw/zinc/06/50/05/427065005.db2.gz GSBXFPJPSWDJPV-WBVHZDCISA-N 2 0 305.466 2.703 20 0 DFADRP C[C@H](CCCC[NH3+])NC(=O)c1oc2ccccc2c1C[NH+](C)C ZINC000292058402 427075160 /nfs/dbraw/zinc/07/51/60/427075160.db2.gz JWYDGYUUIXINPR-CYBMUJFWSA-N 2 0 317.433 2.742 20 0 DFADRP CCN1CC[NH+](CCCC[NH2+][C@H]2CCC[C@H]2CCCF)CC1 ZINC000337989182 427077246 /nfs/dbraw/zinc/07/72/46/427077246.db2.gz LGQCLGGZLPKILB-ROUUACIJSA-N 2 0 313.505 2.912 20 0 DFADRP C[C@@H]1[C@H]([NH+]2CCCC2)CCN1CC[N@H+](C)Cc1ccccc1 ZINC000296114112 427080857 /nfs/dbraw/zinc/08/08/57/427080857.db2.gz XYVLHWWYUGGJSO-IEBWSBKVSA-N 2 0 301.478 2.677 20 0 DFADRP C[C@@H]1CSCC[NH+](CCC[N@H+]2CCSC[C@@H](C)C2)C1 ZINC000249088355 427086461 /nfs/dbraw/zinc/08/64/61/427086461.db2.gz SMEHGVYHOVCUQH-GJZGRUSLSA-N 2 0 302.553 2.746 20 0 DFADRP C[NH+](C)CCOc1cc(C[NH2+][C@@H]2CC[C@@H]2C2CCC2)ccn1 ZINC000338004364 427087742 /nfs/dbraw/zinc/08/77/42/427087742.db2.gz YTWMWLYTNFLXGC-IAGOWNOFSA-N 2 0 303.450 2.690 20 0 DFADRP CC(C)[N@H+](C)Cc1ccccc1CNC(=O)CC[C@@H]1CCC[NH2+]1 ZINC000292107180 427091939 /nfs/dbraw/zinc/09/19/39/427091939.db2.gz OZTUUZGYGUOHAC-SFHVURJKSA-N 2 0 317.477 2.675 20 0 DFADRP COC[C@@H]([NH2+]CCCC[N@@H+]1CCC[C@@H](C)C1)C1CCOCC1 ZINC000249190474 427094742 /nfs/dbraw/zinc/09/47/42/427094742.db2.gz NSKWVSUFFFWJOJ-SJLPKXTDSA-N 2 0 312.498 2.530 20 0 DFADRP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@@H]1CC[C@](C)(c2ccccc2)C1 ZINC000249192007 427095581 /nfs/dbraw/zinc/09/55/81/427095581.db2.gz OJDJZIVPCRPHOH-RLLQIKCJSA-N 2 0 315.505 2.722 20 0 DFADRP CCN(CC)CC[NH2+][C@H](C)c1cccc(OCC[NH+](C)C)c1 ZINC000268710201 427098499 /nfs/dbraw/zinc/09/84/99/427098499.db2.gz JXAQUJFICIVBID-MRXNPFEDSA-N 2 0 307.482 2.619 20 0 DFADRP O=C(C=Cc1c[nH]cn1)N1CCC[N@H+](CC2CCCCC2)CC1 ZINC000276551275 427098888 /nfs/dbraw/zinc/09/88/88/427098888.db2.gz HRKXTZIEXZEGTG-BQYQJAHWSA-N 2 0 316.449 2.538 20 0 DFADRP CCc1ccc([C@H](CNC(=O)CC[C@H]2CCC[NH2+]2)[NH+](C)C)cc1 ZINC000292127445 427101539 /nfs/dbraw/zinc/10/15/39/427101539.db2.gz RCZDAVCWFWBAPS-MSOLQXFVSA-N 2 0 317.477 2.500 20 0 DFADRP CCN1CCC[C@@H]1C[NH2+][C@H](C)c1cccc(N2CCOCC2)c1 ZINC000268725776 427103458 /nfs/dbraw/zinc/10/34/58/427103458.db2.gz MDLFCZGYBOUGAH-VQIMIIECSA-N 2 0 317.477 2.658 20 0 DFADRP C[C@H](C[NH2+]C1CCC([N@H+](C)Cc2ccccc2)CC1)N(C)C ZINC000283943291 427104843 /nfs/dbraw/zinc/10/48/43/427104843.db2.gz FMFLJYAXXWYZSI-IPJUCJBFSA-N 2 0 303.494 2.969 20 0 DFADRP Cc1ccccc1[C@@H]([NH3+])C(=O)NC[C@H](C1CCCCC1)[NH+](C)C ZINC000296196418 427108998 /nfs/dbraw/zinc/10/89/98/427108998.db2.gz YUZMCQLOKKDALX-QZTJIDSGSA-N 2 0 317.477 2.622 20 0 DFADRP C[C@@H]([NH2+]CC1CC[NH+](Cc2ccccc2)CC1)c1nccn1C ZINC000182606035 427110761 /nfs/dbraw/zinc/11/07/61/427110761.db2.gz SWNHQNFEORULHN-MRXNPFEDSA-N 2 0 312.461 2.983 20 0 DFADRP CC(C)(C)CC[NH+]1CCN(C(=O)c2ccc3c[nH+]cn3c2)CC1 ZINC000283989593 427111837 /nfs/dbraw/zinc/11/18/37/427111837.db2.gz LZABUDAOMPORCX-UHFFFAOYSA-N 2 0 314.433 2.528 20 0 DFADRP C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)[C@H](C)[NH+]1[C@@H](C)CC[C@@H]1C ZINC000338046827 427112172 /nfs/dbraw/zinc/11/21/72/427112172.db2.gz LNRWEJUEUQZZMR-COZGXFGHSA-N 2 0 323.525 2.730 20 0 DFADRP CC[NH+](CC)CCCN1CC[N@H+](C)[C@@H](Cc2ccccc2)C1 ZINC000283999004 427113689 /nfs/dbraw/zinc/11/36/89/427113689.db2.gz DNADIEBIKSRYFG-IBGZPJMESA-N 2 0 303.494 2.577 20 0 DFADRP Cc1ncsc1C[N@H+](C)C[C@@H]1CCN(Cc2ccccn2)C1 ZINC000190464956 427114374 /nfs/dbraw/zinc/11/43/74/427114374.db2.gz HEWPEMAHFNBBRU-HNNXBMFYSA-N 2 0 316.474 2.800 20 0 DFADRP Cc1ncsc1CN(C)C[C@H]1CC[N@H+](Cc2ccncc2)C1 ZINC000190461544 427114809 /nfs/dbraw/zinc/11/48/09/427114809.db2.gz FEWAUWHIQJGFRC-MRXNPFEDSA-N 2 0 316.474 2.800 20 0 DFADRP C[C@@H](C(=O)NC[C@]1([NH+](C)C)CCC[C@@H](C)C1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000338053575 427116586 /nfs/dbraw/zinc/11/65/86/427116586.db2.gz VFLBQCXLZALHER-GJGATLCTSA-N 2 0 323.525 2.874 20 0 DFADRP C[C@H](C(=O)N(C)CC[N@H+](C)C1CCCCC1)[NH+]1[C@H](C)CC[C@H]1C ZINC000338053797 427118221 /nfs/dbraw/zinc/11/82/21/427118221.db2.gz IXRFJZWXQUEKKT-BRWVUGGUSA-N 2 0 323.525 2.971 20 0 DFADRP CC(C)[N@H+](C)Cc1cccc(CNC(=O)CC[C@H]2CCC[NH2+]2)c1 ZINC000292192692 427126649 /nfs/dbraw/zinc/12/66/49/427126649.db2.gz XRHABOZXYCRKOE-GOSISDBHSA-N 2 0 317.477 2.675 20 0 DFADRP Fc1ccc(OC2CCN(CCC[NH+]3CCCCC3)CC2)cn1 ZINC000190553617 427136914 /nfs/dbraw/zinc/13/69/14/427136914.db2.gz NLXQEGIVQXTQGK-UHFFFAOYSA-N 2 0 321.440 2.940 20 0 DFADRP CC[NH+](CC)CCCC1CC[NH+]([C@@H]2CCN(C(C)C)C2=O)CC1 ZINC000182759390 427141914 /nfs/dbraw/zinc/14/19/14/427141914.db2.gz UNVOYGKDPCMUQY-GOSISDBHSA-N 2 0 323.525 2.830 20 0 DFADRP C[C@@H]([NH2+]C1CC1)C(=O)Nc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000296383445 427164006 /nfs/dbraw/zinc/16/40/06/427164006.db2.gz KPBHIJJKTQKXAV-HUUCEWRRSA-N 2 0 315.461 2.998 20 0 DFADRP C[C@@H]1CC[N@H+](CC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)[C@H](C)C1 ZINC000158645027 271078610 /nfs/dbraw/zinc/07/86/10/271078610.db2.gz HDOVMOVDBJQKSV-NUJGCVRESA-N 2 0 317.477 2.526 20 0 DFADRP C[C@H](C(=O)NCCC[N@@H+]1CCCC[C@@H]1C)[NH+]1CCCCCC1 ZINC000175010597 271143682 /nfs/dbraw/zinc/14/36/82/271143682.db2.gz LWKLZXLBHCUFQC-DLBZAZTESA-N 2 0 309.498 2.632 20 0 DFADRP COc1ccc([C@H](C[NH+](C)C)N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000284472248 271339223 /nfs/dbraw/zinc/33/92/23/271339223.db2.gz VXBPMCNDYKPQSW-SCTDSRPQSA-N 2 0 317.477 2.514 20 0 DFADRP CCc1ccccc1NC(=O)CN(C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000285386535 427218811 /nfs/dbraw/zinc/21/88/11/427218811.db2.gz DEVNIAFAHNYWHN-SJPCQFCGSA-N 2 0 315.461 2.745 20 0 DFADRP CC(C)N(C)c1ccc(C[NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)cn1 ZINC000190754223 427174477 /nfs/dbraw/zinc/17/44/77/427174477.db2.gz BVVUNJWMNOYNMF-INIZCTEOSA-N 2 0 302.466 2.500 20 0 DFADRP C[C@@H](CCc1ccccc1)[N@H+](C)CCCN1CC[NH+](C)CC1 ZINC000182962048 427176466 /nfs/dbraw/zinc/17/64/66/427176466.db2.gz VVZRTAPZTUGVCV-SFHVURJKSA-N 2 0 303.494 2.577 20 0 DFADRP c1ccc(C[C@H]([NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)c2cccnc2)nc1 ZINC000338195012 427185982 /nfs/dbraw/zinc/18/59/82/427185982.db2.gz KDGTZMVSVCFIOW-UZLBHIALSA-N 2 0 322.456 2.834 20 0 DFADRP C[C@H]1CC[N@H+](CCC(=O)Nc2ccccc2Cl)C[C@H]1C[NH3+] ZINC000253196615 427195107 /nfs/dbraw/zinc/19/51/07/427195107.db2.gz TUPQAZHVKQARCS-QWHCGFSZSA-N 2 0 309.841 2.585 20 0 DFADRP C[C@@H]1CC[N@H+](CCC(=O)Nc2ccccc2Cl)C[C@H]1C[NH3+] ZINC000253196614 427196372 /nfs/dbraw/zinc/19/63/72/427196372.db2.gz TUPQAZHVKQARCS-CHWSQXEVSA-N 2 0 309.841 2.585 20 0 DFADRP COCCC[NH2+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000183125216 427204333 /nfs/dbraw/zinc/20/43/33/427204333.db2.gz MGILUHUJROSGMX-CEXWTWQISA-N 2 0 302.462 2.913 20 0 DFADRP CCC[NH+](CCC)CCCNC(=O)C[C@H]([NH3+])c1ccccc1 ZINC000269483445 427206511 /nfs/dbraw/zinc/20/65/11/427206511.db2.gz GLNXRZCKRRCIEV-KRWDZBQOSA-N 2 0 305.466 2.705 20 0 DFADRP CCOCC[NH2+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000183130054 427207767 /nfs/dbraw/zinc/20/77/67/427207767.db2.gz AOALRBVAGMHLFR-CEXWTWQISA-N 2 0 302.462 2.913 20 0 DFADRP C[C@H](CC(C)(C)C)[NH2+]Cc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000296530339 427214349 /nfs/dbraw/zinc/21/43/49/427214349.db2.gz SOUDCRZIJUITRZ-OAHLLOKOSA-N 2 0 304.482 2.748 20 0 DFADRP C[C@H]([NH3+])CCC(=O)NCc1ccc(C[N@@H+]2CCCC[C@H]2C)cc1 ZINC000277496781 427220957 /nfs/dbraw/zinc/22/09/57/427220957.db2.gz OMRZTFKVJGZVQT-JKSUJKDBSA-N 2 0 317.477 2.805 20 0 DFADRP CCC[N@H+](CC)Cc1ccc(C(=O)N[C@H]2CCC[NH2+][C@@H]2C)cc1 ZINC000277517512 427226752 /nfs/dbraw/zinc/22/67/52/427226752.db2.gz RZJWGFYHRQZCBF-QAPCUYQASA-N 2 0 317.477 2.789 20 0 DFADRP COCC[N@H+](C)CCCC1CC[NH+](C[C@@H]2CC[C@@H](C)O2)CC1 ZINC000191029007 427236859 /nfs/dbraw/zinc/23/68/59/427236859.db2.gz OBFSGRNSAAKTIS-AEFFLSMTSA-N 2 0 312.498 2.624 20 0 DFADRP C[C@@H](C[NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1)Cc1ccccc1 ZINC000277546806 427238850 /nfs/dbraw/zinc/23/88/50/427238850.db2.gz QSCJSYKPFPFZGG-MSOLQXFVSA-N 2 0 304.478 2.956 20 0 DFADRP C[C@H]1C[C@H]([NH2+][C@@H]2CCN(c3ccc(Cl)cc3)C2)CCN1C ZINC000183334259 427248326 /nfs/dbraw/zinc/24/83/26/427248326.db2.gz FSWQMBSJDCJMJM-NUEKZKHPSA-N 2 0 307.869 2.991 20 0 DFADRP CC[C@@H](C)[C@H]([NH3+])C(=O)NCC(C)(C)[NH2+][C@H](C)c1ccccc1 ZINC000269679109 427250726 /nfs/dbraw/zinc/25/07/26/427250726.db2.gz RVRVPGHSBWWTGY-FMKPAKJESA-N 2 0 305.466 2.605 20 0 DFADRP COC(=O)CC1([NH2+]Cc2ccc(-n3ccnc3)cc2)CCCC1 ZINC000338323516 427260231 /nfs/dbraw/zinc/26/02/31/427260231.db2.gz YBFYTOILBFWISY-UHFFFAOYSA-N 2 0 313.401 2.838 20 0 DFADRP CCc1cc(N[C@H](C)C[NH+]2CCN(C)CC2)c2ccccc2[nH+]1 ZINC000269724239 427264673 /nfs/dbraw/zinc/26/46/73/427264673.db2.gz CYWVIDXWRXRWIK-OAHLLOKOSA-N 2 0 312.461 2.845 20 0 DFADRP CN(C)Cc1ccsc1C(=O)NC[C@H]1CCCC[N@@H+]1C1CC1 ZINC000277656593 427274814 /nfs/dbraw/zinc/27/48/14/427274814.db2.gz ZMEVLPODHMXAPL-OAHLLOKOSA-N 2 0 321.490 2.556 20 0 DFADRP c1c[nH]c(CN2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)n1 ZINC000293416461 427317003 /nfs/dbraw/zinc/31/70/03/427317003.db2.gz SJBNCBHIWJFTFZ-UHFFFAOYSA-N 2 0 310.445 2.898 20 0 DFADRP C[C@@H](CC(=O)OC(C)(C)C)[NH2+]Cc1cccc(C[NH+](C)C)c1 ZINC000183692972 427322447 /nfs/dbraw/zinc/32/24/47/427322447.db2.gz TVULLANOFJNXDP-AWEZNQCLSA-N 2 0 306.450 2.958 20 0 DFADRP Cc1nnc(CN2CCC[C@@H]2Cn2c(C)nc3ccccc32)o1 ZINC000270356813 427331843 /nfs/dbraw/zinc/33/18/43/427331843.db2.gz QVXRHOZBFNVNCH-CQSZACIVSA-N 2 0 311.389 2.701 20 0 DFADRP C[C@H]1C[N@H+](CCC[NH2+]Cc2ccc3ncccc3c2)CCCO1 ZINC000277828895 427332112 /nfs/dbraw/zinc/33/21/12/427332112.db2.gz LKHVASDKENFDPN-INIZCTEOSA-N 2 0 313.445 2.825 20 0 DFADRP CCC[N@H+](CCC(=O)Nc1ccccc1F)C1CC[NH2+]CC1 ZINC000261714720 427339592 /nfs/dbraw/zinc/33/95/92/427339592.db2.gz PLRWWBFQIGPNGY-UHFFFAOYSA-N 2 0 307.413 2.618 20 0 DFADRP CC[NH+]1CCN(c2ccccc2C[NH2+][C@H]2CSC2(C)C)CC1 ZINC000338477565 427341454 /nfs/dbraw/zinc/34/14/54/427341454.db2.gz PUBRYTXJGAVFMW-KRWDZBQOSA-N 2 0 319.518 2.812 20 0 DFADRP CC(C)C(=O)N1CCC([NH2+][C@H](C)C[C@H]2CCCCC[NH2+]2)CC1 ZINC000262298574 427353772 /nfs/dbraw/zinc/35/37/72/427353772.db2.gz OICCCLVAQOYVPE-NVXWUHKLSA-N 2 0 309.498 2.534 20 0 DFADRP CC(C)N(C)c1ccc(CN(C)C[C@@H]2CCC[N@H+](C)C2)cn1 ZINC000191243352 427296616 /nfs/dbraw/zinc/29/66/16/427296616.db2.gz DVKMHSSRGVBOOR-QGZVFWFLSA-N 2 0 304.482 2.700 20 0 DFADRP [NH3+]CCCCCCC(=O)N[C@@H](C[NH3+])c1ccc2ccccc2c1 ZINC000262800253 427372805 /nfs/dbraw/zinc/37/28/05/427372805.db2.gz NXDCDGJNMMLWFH-SFHVURJKSA-N 2 0 313.445 2.865 20 0 DFADRP c1cc2cccc(C[NH+]3CCC(C[NH+]4CCOCC4)CC3)c2[nH]1 ZINC000271029125 427380239 /nfs/dbraw/zinc/38/02/39/427380239.db2.gz BUAOJOAMNMLKTE-UHFFFAOYSA-N 2 0 313.445 2.712 20 0 DFADRP CC1(C)C[C@H]([NH2+][C@@H]2CCCN(CCCO)C2)c2ccccc21 ZINC000297292820 427389467 /nfs/dbraw/zinc/38/94/67/427389467.db2.gz LXBFGKRLQOUBCY-QAPCUYQASA-N 2 0 302.462 2.845 20 0 DFADRP CCOC(=O)[C@@H]1CC[C@H]([NH2+]C[C@H](C)C[NH+](C)C)c2ccccc21 ZINC000293639851 427390838 /nfs/dbraw/zinc/39/08/38/427390838.db2.gz KQOGTJSKKRTMDO-QGTPRVQTSA-N 2 0 318.461 2.956 20 0 DFADRP Cc1ccc(C[C@H]([NH2+][C@@H]2CCCN(CCCO)C2)C2CC2)cc1 ZINC000297297858 427391186 /nfs/dbraw/zinc/39/11/86/427391186.db2.gz MCLHZPNEYDSPOB-UXHICEINSA-N 2 0 316.489 2.753 20 0 DFADRP COc1ccc2c(c1)C[C@H]([NH2+]C[C@H]1CCC[N@@H+](C(C)C)C1)CO2 ZINC000297504828 427407527 /nfs/dbraw/zinc/40/75/27/427407527.db2.gz CDVQIGKTYNGREB-WBVHZDCISA-N 2 0 318.461 2.709 20 0 DFADRP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(C[C@H](O)c2cccnc2)C1 ZINC000297500879 427408035 /nfs/dbraw/zinc/40/80/35/427408035.db2.gz NDBWKYFAWNKLRT-AOIWGVFYSA-N 2 0 317.477 2.701 20 0 DFADRP CN(CCC[N@H+](C)C[C@H]1CC2(CCC2)C(=O)O1)Cc1ccco1 ZINC000285860914 427358185 /nfs/dbraw/zinc/35/81/85/427358185.db2.gz YLAOOWDGPMMOHL-MRXNPFEDSA-N 2 0 320.433 2.519 20 0 DFADRP COC(=O)c1coc([C@@H](C)[NH2+]CCCCC[NH+]2CCCC2)c1 ZINC000293564827 427364777 /nfs/dbraw/zinc/36/47/77/427364777.db2.gz AVIHHRLOFKLMJS-CQSZACIVSA-N 2 0 308.422 2.983 20 0 DFADRP COC[C@H](Cc1ccccc1)[NH2+]CC1(C[NH+](C)C)CCCC1 ZINC000183951026 427364928 /nfs/dbraw/zinc/36/49/28/427364928.db2.gz DHDWTBCXRNPUPC-SFHVURJKSA-N 2 0 304.478 2.956 20 0 DFADRP C[C@@H](NCC(C)(C)C[NH+](C)C)c1ccc(C(=O)N(C)C)cc1 ZINC000293568121 427368071 /nfs/dbraw/zinc/36/80/71/427368071.db2.gz XVWGMSNFFYRDFP-CQSZACIVSA-N 2 0 305.466 2.627 20 0 DFADRP C[C@@H]1C[C@@H](N(C)Cc2cnc3ccc(Cl)cn23)CC[N@@H+]1C ZINC000271206533 427449091 /nfs/dbraw/zinc/44/90/91/427449091.db2.gz RWMOOAJMSCRNFN-OCCSQVGLSA-N 2 0 306.841 2.902 20 0 DFADRP C[C@H]1CCCC[N@@H+]1CCCCNC(=O)C[C@H]([NH3+])c1ccccc1 ZINC000263365613 427470883 /nfs/dbraw/zinc/47/08/83/427470883.db2.gz VXRKPDXPELYZBF-WMZOPIPTSA-N 2 0 317.477 2.847 20 0 DFADRP C[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+][C@H]2CCC(=O)NC2(C)C)CC1 ZINC000338775852 427482595 /nfs/dbraw/zinc/48/25/95/427482595.db2.gz QWBOSVPEKUAHFU-PVAVHDDUSA-N 2 0 321.509 2.676 20 0 DFADRP C[C@@H]([NH2+]C[C@@H](O)C[NH+]1CCC(C)CC1)[C@H]1C[C@H]1c1ccccc1 ZINC000338783713 427484442 /nfs/dbraw/zinc/48/44/42/427484442.db2.gz HCCBNNVMFNOLQW-AFYVEPGGSA-N 2 0 316.489 2.861 20 0 DFADRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+][C@H](C)[C@@H]1C[C@@H]1c1ccccc1 ZINC000338780587 427485531 /nfs/dbraw/zinc/48/55/31/427485531.db2.gz ZDYXUIQTVIIMCP-IZBJGVDFSA-N 2 0 315.505 2.794 20 0 DFADRP C[C@H]([NH2+]CCCN1CCC[N@H+](C)CC1)[C@@H]1C[C@@H]1c1ccccc1 ZINC000338780731 427486124 /nfs/dbraw/zinc/48/61/24/427486124.db2.gz AAKOTQJMVYSWCL-YSIASYRMSA-N 2 0 315.505 2.796 20 0 DFADRP CC(C)[N@@H+]1CCC[C@@H](CNC(=O)CC2(C[NH3+])CCCCC2)C1 ZINC000184229321 427420410 /nfs/dbraw/zinc/42/04/10/427420410.db2.gz FFADQAZVAKASIL-INIZCTEOSA-N 2 0 309.498 2.522 20 0 DFADRP C[C@H]1C[C@H](C)C[NH+](CCCNC(=O)CC2(C[NH3+])CCCCC2)C1 ZINC000184224401 427420916 /nfs/dbraw/zinc/42/09/16/427420916.db2.gz OWXFCDSXNZDUAW-IRXDYDNUSA-N 2 0 323.525 2.770 20 0 DFADRP COc1cc(F)cc(C[NH2+]C2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000297667958 427424727 /nfs/dbraw/zinc/42/47/27/427424727.db2.gz OJIBBXSFGCYJNO-UHFFFAOYSA-N 2 0 315.392 2.988 20 0 DFADRP C[C@H]([NH2+][C@@H]1CCC[C@H]([NH+](C)C)C1)c1ccc2c(c1)OCC(=O)N2 ZINC000286098067 427424710 /nfs/dbraw/zinc/42/47/10/427424710.db2.gz NBXYNZASPHXSEN-CFVMTHIKSA-N 2 0 317.433 2.541 20 0 DFADRP COC(=O)c1csc([C@@H](C)[NH2+]CC2(C)CC[NH+](C)CC2)c1 ZINC000286132132 427431366 /nfs/dbraw/zinc/43/13/66/427431366.db2.gz OARYJOOTGHFSMT-GFCCVEGCSA-N 2 0 310.463 2.917 20 0 DFADRP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)Cc2cccc3cc[nH]c32)CC1 ZINC000271170267 427431783 /nfs/dbraw/zinc/43/17/83/427431783.db2.gz PPHMQUOKJKLRIM-OAHLLOKOSA-N 2 0 315.461 2.693 20 0 DFADRP C[C@H]1C[N@H+](CCC[NH2+][C@H]2CCc3cc(F)ccc32)CCCO1 ZINC000278363089 427432068 /nfs/dbraw/zinc/43/20/68/427432068.db2.gz BLWYNIWRVGCSTN-KSSFIOAISA-N 2 0 306.425 2.904 20 0 DFADRP CC[NH+]1CCN([C@H](C)C[NH2+][C@H](C)[C@@H]2C[C@H]2c2ccccc2)CC1 ZINC000338688314 427438501 /nfs/dbraw/zinc/43/85/01/427438501.db2.gz OTYONUJIUBIHBV-JYBIWHBTSA-N 2 0 315.505 2.794 20 0 DFADRP OCCCCCC[NH+]1CCN(c2cc[nH+]c3ccccc32)CC1 ZINC000297725351 427439533 /nfs/dbraw/zinc/43/95/33/427439533.db2.gz SCMWYULPMJKIMV-UHFFFAOYSA-N 2 0 313.445 2.910 20 0 DFADRP Cc1ccnc([C@H](C)[NH2+]C2CCN(C3CC[NH+](C)CC3)CC2)c1 ZINC000286314752 427491423 /nfs/dbraw/zinc/49/14/23/427491423.db2.gz XJJXGHDWPPVTKA-INIZCTEOSA-N 2 0 316.493 2.599 20 0 DFADRP C[C@H]([NH2+]CCN1CCC([NH+](C)C)CC1)[C@@H]1C[C@@H]1c1ccccc1 ZINC000338796991 427493732 /nfs/dbraw/zinc/49/37/32/427493732.db2.gz WUDXVHIQBBBUJC-FFZOFVMBSA-N 2 0 315.505 2.794 20 0 DFADRP c1cc(N2CCC([NH2+]CC3CC[NH+](C4CC4)CC3)CC2)cc[nH+]1 ZINC000298034489 427505175 /nfs/dbraw/zinc/50/51/75/427505175.db2.gz GJSUVIBOAOJAQD-UHFFFAOYSA-N 2 0 314.477 2.514 20 0 DFADRP COc1ccc([C@H](OC)[C@H](C)[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000271460826 427546554 /nfs/dbraw/zinc/54/65/54/427546554.db2.gz HGOWKCOHHPTXAJ-ITQYTPKQSA-N 2 0 318.461 2.988 20 0 DFADRP CC[N@@H+]1CC[C@@H]([NH2+]CCc2ccc(NC(=O)OC)cc2)[C@@H](C)C1 ZINC000271458446 427547543 /nfs/dbraw/zinc/54/75/43/427547543.db2.gz HIENDGYYRMKMBG-WMLDXEAASA-N 2 0 319.449 2.727 20 0 DFADRP CC1CCN(C(=[NH2+])NCC(C)(C)[N@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC000341609068 271861668 /nfs/dbraw/zinc/86/16/68/271861668.db2.gz CROMOLONTFTRBK-IYBDPMFKSA-N 2 0 308.514 2.999 20 0 DFADRP CC[NH+](CC)CCO[C@H]1CC[N@H+](Cc2ccc(COC)cc2)C1 ZINC000339008933 427622301 /nfs/dbraw/zinc/62/23/01/427622301.db2.gz CMLKPVUBHKKNAO-IBGZPJMESA-N 2 0 320.477 2.766 20 0 DFADRP CCn1cc(C[NH2+][C@H](C)c2cccc(OCC[NH+](C)C)c2)cn1 ZINC000271485579 427557873 /nfs/dbraw/zinc/55/78/73/427557873.db2.gz LDCCZZFSNNWWSP-OAHLLOKOSA-N 2 0 316.449 2.694 20 0 DFADRP C[C@@H](COCC(F)(F)F)[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000298295527 427560712 /nfs/dbraw/zinc/56/07/12/427560712.db2.gz HIZYEDSOIHZEJF-LBPRGKRZSA-N 2 0 317.355 2.607 20 0 DFADRP CC(C)[C@@H](C[NH2+]CCc1cccc(Cl)c1)N1CC[NH+](C)CC1 ZINC000298313702 427569068 /nfs/dbraw/zinc/56/90/68/427569068.db2.gz IAMNJGWDFQAKQQ-GOSISDBHSA-N 2 0 323.912 2.744 20 0 DFADRP CCOC(CN1CCC[C@@H](C[NH+]2CCCCCC2)C1)OCC ZINC000184964582 427570095 /nfs/dbraw/zinc/57/00/95/427570095.db2.gz CVWJCDDLAZADDL-KRWDZBQOSA-N 2 0 312.498 2.974 20 0 DFADRP Cn1c2ccccc2nc1CCC[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000271526977 427572425 /nfs/dbraw/zinc/57/24/25/427572425.db2.gz REULPLBSXZOQOR-HOTGVXAUSA-N 2 0 312.461 2.722 20 0 DFADRP CCC[NH+]1CCC(C[NH2+]Cc2cc(C(=O)OC)c(CC)o2)CC1 ZINC000338943554 427576367 /nfs/dbraw/zinc/57/63/67/427576367.db2.gz NHJBFVNJGKNEPT-UHFFFAOYSA-N 2 0 322.449 2.840 20 0 DFADRP c1cc(N2CCC([NH2+]Cc3ccc4c(c3)OCO4)CC2)cc[nH+]1 ZINC000294228233 427590333 /nfs/dbraw/zinc/59/03/33/427590333.db2.gz OCGDXCMOYSPIEG-UHFFFAOYSA-N 2 0 311.385 2.569 20 0 DFADRP CC[C@H](C[NH2+]C1CCN(c2cc[nH+]cc2)CC1)N1CCCC1 ZINC000298423930 427603625 /nfs/dbraw/zinc/60/36/25/427603625.db2.gz MPRXEBNGMDLFTB-QGZVFWFLSA-N 3 0 302.466 2.514 20 0 DFADRP CC[NH+](CC)[C@H](CNC1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1ccco1 ZINC000192774147 427607799 /nfs/dbraw/zinc/60/77/99/427607799.db2.gz GRZOPUGEGKDJLI-NPYXIHBLSA-N 2 0 305.466 2.877 20 0 DFADRP C[C@H](c1cccnc1)[NH+]1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000263913556 427608906 /nfs/dbraw/zinc/60/89/06/427608906.db2.gz NMMKCLCTTASKLD-IXDOHACOSA-N 2 0 317.477 2.964 20 0 DFADRP C[N@H+](CCC[NH2+]C1CCC2(CC1)OCCO2)Cc1ccccc1 ZINC000192872736 427626706 /nfs/dbraw/zinc/62/67/06/427626706.db2.gz LZUKEGQYSYKGDX-UHFFFAOYSA-N 2 0 318.461 2.784 20 0 DFADRP Cn1ccc(C[N@H+](C)CCC2CCN(c3cc[nH+]cc3)CC2)n1 ZINC000272097233 427629651 /nfs/dbraw/zinc/62/96/51/427629651.db2.gz YZGMMNMTTGXYNR-UHFFFAOYSA-N 2 0 313.449 2.554 20 0 DFADRP C[C@@H](CNC(=O)CC1(C[NH3+])CCCCC1)C[NH+]1CCCCC1 ZINC000185351554 427638833 /nfs/dbraw/zinc/63/88/33/427638833.db2.gz VDDIZKRRFMHMSG-INIZCTEOSA-N 2 0 309.498 2.524 20 0 DFADRP CC(C)[C@H](C[NH2+]Cc1sccc1Cl)N1CC[NH+](C)CC1 ZINC000192998663 427649687 /nfs/dbraw/zinc/64/96/87/427649687.db2.gz GEISNTBHTLBFPX-AWEZNQCLSA-N 2 0 315.914 2.763 20 0 DFADRP C[C@H]([NH2+]C[C@@H]1CCCOC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272164034 427657586 /nfs/dbraw/zinc/65/75/86/427657586.db2.gz GHBOMBZGYASNMM-YTQUADARSA-N 2 0 302.462 2.913 20 0 DFADRP Cc1c(C[NH2+][C@@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)cnn1C ZINC000272183552 427664820 /nfs/dbraw/zinc/66/48/20/427664820.db2.gz KRAMTENQFKGFRN-MAUKXSAKSA-N 2 0 312.461 2.729 20 0 DFADRP C[C@@H]1C[N@@H+](CCCC[NH2+]Cc2cc(O)cc(F)c2)C[C@H](C)O1 ZINC000185496303 427664879 /nfs/dbraw/zinc/66/48/79/427664879.db2.gz HJHGTCNQWJZSBB-OKILXGFUSA-N 2 0 310.413 2.510 20 0 DFADRP C[C@H](C[NH2+]C1CCN(c2cc[nH+]cc2)CC1)N1CCC(C)CC1 ZINC000298484533 427624822 /nfs/dbraw/zinc/62/48/22/427624822.db2.gz PPVQDBDAIDWVQM-QGZVFWFLSA-N 2 0 316.493 2.760 20 0 DFADRP C[NH+](C/C=C/C[N@H+](C)CC[C@@H]1CCCO1)CC[C@@H]1CCCO1 ZINC000342583614 272027347 /nfs/dbraw/zinc/02/73/47/272027347.db2.gz ICZKVKTWPIGBTB-ZFRRBFPSSA-N 2 0 310.482 2.544 20 0 DFADRP CCOc1cc(CNC2C[C@H]3CC[C@@H](C2)[N@H+]3C)ccc1OC ZINC000192865093 427625374 /nfs/dbraw/zinc/62/53/74/427625374.db2.gz UQLUVQKAMDGYBB-MQVJKMGUSA-N 2 0 304.434 2.809 20 0 DFADRP Cc1nccn1CCCN1CCC[C@H]([N@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC000342859989 272062590 /nfs/dbraw/zinc/06/25/90/272062590.db2.gz MWQNNRIRWQUAHO-JZXOWHBKSA-N 2 0 304.482 2.919 20 0 DFADRP CCN1C[C@@H](C)[C@H]([NH2+]Cc2ccc(C[NH+]3CCCC3)cc2)C1 ZINC000343032841 272077200 /nfs/dbraw/zinc/07/72/00/272077200.db2.gz HVUSEOXCEOCTIT-VQIMIIECSA-N 2 0 301.478 2.712 20 0 DFADRP CCN1C[C@H]([NH2+]Cc2ccc(C[NH+]3CCCC3)cc2)[C@@H](C)C1 ZINC000343032837 272077224 /nfs/dbraw/zinc/07/72/24/272077224.db2.gz HVUSEOXCEOCTIT-LPHOPBHVSA-N 2 0 301.478 2.712 20 0 DFADRP CCCC[N@H+](C)CC1CC[NH+]([C@@H](C)C(=O)N2CCCCC2)CC1 ZINC000343046135 272078969 /nfs/dbraw/zinc/07/89/69/272078969.db2.gz QIBKMSKWBRFPAX-KRWDZBQOSA-N 2 0 323.525 2.831 20 0 DFADRP Cc1nn(Cc2ccccc2)c(C)c1C[NH2+][C@@H]1CN(C)C[C@H]1C ZINC000343062212 272080293 /nfs/dbraw/zinc/08/02/93/272080293.db2.gz FHYFPXQEHQBGKR-AUUYWEPGSA-N 2 0 312.461 2.588 20 0 DFADRP CC[C@@H]1C[C@@H](C)CC[C@H]1[NH2+]Cc1nnc(C2CC[NH2+]CC2)[nH]1 ZINC000333654724 427667874 /nfs/dbraw/zinc/66/78/74/427667874.db2.gz ZRBZJBJTHIXOJO-GZBFAFLISA-N 2 0 305.470 2.576 20 0 DFADRP c1ccc([C@@H]2OCC[C@@H]2C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000343335235 272120967 /nfs/dbraw/zinc/12/09/67/272120967.db2.gz HWUKPECPGOSWPY-HCXYKTFWSA-N 2 0 300.446 2.981 20 0 DFADRP CC(C)[NH+](CCC[NH2+]C[C@H]1CCO[C@H]1c1ccnn1C)C(C)C ZINC000343351826 272125817 /nfs/dbraw/zinc/12/58/17/272125817.db2.gz DTTNWKFIPFVROO-SJLPKXTDSA-N 2 0 322.497 2.596 20 0 DFADRP CCC[N@H+](CC)Cc1ccc(C(=O)N2CC[C@@H]([C@H](C)[NH3+])C2)cc1 ZINC000272207628 427672053 /nfs/dbraw/zinc/67/20/53/427672053.db2.gz HFRSGVFMJPITIO-MAUKXSAKSA-N 2 0 317.477 2.728 20 0 DFADRP C[C@@H]1CN(C)C[C@@H]1[NH2+]Cc1cccc(NC(=O)C2CCCC2)c1 ZINC000343484546 272157184 /nfs/dbraw/zinc/15/71/84/272157184.db2.gz WCCYCJDLPJVCRW-KDOFPFPSSA-N 2 0 315.461 2.855 20 0 DFADRP C[C@@H]([NH2+][C@@H](C)c1ccc(OCC[NH+](C)C)cc1)[C@H]1CCOC1 ZINC000343492858 272159505 /nfs/dbraw/zinc/15/95/05/272159505.db2.gz CMWQUOCAYWLOHO-UXLLHSPISA-N 2 0 306.450 2.703 20 0 DFADRP CC[NH+](CC)CCO[C@@H]1CC[N@H+](Cc2cn(C(C)C)nc2C)C1 ZINC000343548453 272167767 /nfs/dbraw/zinc/16/77/67/272167767.db2.gz KCOFRPYSCOFRCB-GOSISDBHSA-N 2 0 322.497 2.705 20 0 DFADRP C[C@H](CCO)CC[NH2+][C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000295054588 427674549 /nfs/dbraw/zinc/67/45/49/427674549.db2.gz GBMBAYCBNPAGLZ-FRYIKTPZSA-N 2 0 316.489 2.895 20 0 DFADRP CC[NH+](CC)CC1CC[NH+]([C@@H](C)C(=O)NC(C)(C)CC)CC1 ZINC000343581919 272176425 /nfs/dbraw/zinc/17/64/25/272176425.db2.gz PJRHCRQZEKENEI-HNNXBMFYSA-N 2 0 311.514 2.734 20 0 DFADRP C[C@H](CN(C)Cc1ccccc1)[NH2+][C@@H]1C[C@H](C)N(C2CC2)C1 ZINC000343923256 272238162 /nfs/dbraw/zinc/23/81/62/272238162.db2.gz GMPVHVVJZGVAIT-SOLBZPMBSA-N 2 0 301.478 2.722 20 0 DFADRP COc1cccc([C@H](CNC2C[C@H]3CC[C@@H](C2)[N@H+]3C)[NH+](C)C)c1 ZINC000193202405 427677568 /nfs/dbraw/zinc/67/75/68/427677568.db2.gz VTSXCIAFNAXJHJ-PHSGOXPASA-N 2 0 317.477 2.513 20 0 DFADRP Cc1ccc(NC(=O)[C@H]2CC[N@H+](C)[C@H](C)C2)c(C[NH+](C)C)c1 ZINC000344208285 272287491 /nfs/dbraw/zinc/28/74/91/272287491.db2.gz UHIICTAKGAPMRM-CABCVRRESA-N 2 0 303.450 2.725 20 0 DFADRP C[C@H]1CCC[C@H]([NH+]2CCC([NH2+]CC3=CC[N@H+](C)CC3)CC2)C1 ZINC000344292178 272306226 /nfs/dbraw/zinc/30/62/26/272306226.db2.gz FSXUBTFSCQECNP-LPHOPBHVSA-N 3 0 305.510 2.881 20 0 DFADRP COc1cc(NC(C)=O)ccc1[C@@H](C)[NH2+]CC1=CC[N@H+](C)CC1 ZINC000344296004 272307009 /nfs/dbraw/zinc/30/70/09/272307009.db2.gz LGKZKRHCFYUASG-CYBMUJFWSA-N 2 0 317.433 2.566 20 0 DFADRP C[C@H]([NH2+]CC1=CC[N@H+](C)CC1)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000344307643 272308675 /nfs/dbraw/zinc/30/86/75/272308675.db2.gz XLANDMLUOGKTGQ-ZDUSSCGKSA-N 2 0 313.445 2.829 20 0 DFADRP CC[NH+](CC)CCSCC(=O)Nc1ccc2[nH]c(C)nc2c1 ZINC000344318201 272310594 /nfs/dbraw/zinc/31/05/94/272310594.db2.gz CMIYVXHLBMWBDO-UHFFFAOYSA-N 2 0 320.462 2.885 20 0 DFADRP Cc1ccc(C[NH2+]C[C@@]2(O)CCN(Cc3ccccc3)C2)s1 ZINC000344526131 272334169 /nfs/dbraw/zinc/33/41/69/272334169.db2.gz IJZKPGHILLTVFV-SFHVURJKSA-N 2 0 316.470 2.783 20 0 DFADRP CO[C@H](C[NH2+][C@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1)C1CC1 ZINC000295080244 427684732 /nfs/dbraw/zinc/68/47/32/427684732.db2.gz TVJUXUXQNPAFJH-ATZDWAIDSA-N 2 0 302.462 2.912 20 0 DFADRP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)NCCCC[NH+]1CCCC[C@@H]1C ZINC000344614946 272348388 /nfs/dbraw/zinc/34/83/88/272348388.db2.gz LOOIRFAIZXNMNW-YESZJQIVSA-N 2 0 309.498 2.630 20 0 DFADRP COC(=O)c1occc1C[NH2+]CC1CC[NH+](CCC(C)C)CC1 ZINC000344784939 272368478 /nfs/dbraw/zinc/36/84/78/272368478.db2.gz BDCJAHNPEYEGSF-UHFFFAOYSA-N 2 0 322.449 2.914 20 0 DFADRP C[C@@H]([NH2+]C1CCN(C)CC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272270099 427691520 /nfs/dbraw/zinc/69/15/20/427691520.db2.gz BCZCWBDVRREMFY-AEFFLSMTSA-N 2 0 301.478 2.581 20 0 DFADRP C[C@H]([NH2+]C1CCN(C)CC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272270111 427691599 /nfs/dbraw/zinc/69/15/99/427691599.db2.gz BCZCWBDVRREMFY-WMZOPIPTSA-N 2 0 301.478 2.581 20 0 DFADRP C[C@@H](c1ccc(-n2cncn2)cc1)[N@H+](C)CCC[NH+]1CCCC1 ZINC000193459809 427693102 /nfs/dbraw/zinc/69/31/02/427693102.db2.gz COKCORGCYLNEPF-INIZCTEOSA-N 2 0 313.449 2.746 20 0 DFADRP C[C@@H]([NH2+]Cc1ccc(CO)cc1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185755414 427701781 /nfs/dbraw/zinc/70/17/81/427701781.db2.gz WKHAYMOZQBXTQW-QAPCUYQASA-N 2 0 302.462 2.922 20 0 DFADRP CC(C)SCC[NH+]1CCN(C2CC[NH+](C(C)C)CC2)CC1 ZINC000336846451 427757739 /nfs/dbraw/zinc/75/77/39/427757739.db2.gz OXVIHAHBHDXTHC-UHFFFAOYSA-N 2 0 313.555 2.618 20 0 DFADRP C[N@@H+]1CCC[C@@H]1CC[NH+](CCO)[C@@H]1CCCc2ccccc21 ZINC000336858180 427763448 /nfs/dbraw/zinc/76/34/48/427763448.db2.gz XLQRXABGSQMXMT-IEBWSBKVSA-N 2 0 302.462 2.843 20 0 DFADRP CC(C)C[C@H]([NH3+])c1noc(-c2ccccc2OCC[NH+](C)C)n1 ZINC000339398406 427767706 /nfs/dbraw/zinc/76/77/06/427767706.db2.gz WEWCNALNJGWYLQ-AWEZNQCLSA-N 2 0 318.421 2.723 20 0 DFADRP C[C@H]1C[C@H]([NH2+]C[C@@H](O)CN2CCc3ccccc3C2)C[C@@H](C)C1 ZINC000339548610 427791050 /nfs/dbraw/zinc/79/10/50/427791050.db2.gz WUKPJBVWYVXLQW-GIYDNNGJSA-N 2 0 316.489 2.820 20 0 DFADRP Cc1ccc(CCC[N@@H+]2C[C@@H](C[NH3+])[C@H](c3ccccc3)C2)cn1 ZINC000339406877 427769158 /nfs/dbraw/zinc/76/91/58/427769158.db2.gz GZVHKZMOQWSACR-UXHICEINSA-N 2 0 309.457 2.997 20 0 DFADRP Cc1cccc(NC(=O)[C@@H](C)N2CC[C@]3(C2)CCC[N@H+](C)C3)c1 ZINC000339433053 427774443 /nfs/dbraw/zinc/77/44/43/427774443.db2.gz IENBYKCNKRWVIT-VQIMIIECSA-N 2 0 315.461 2.740 20 0 DFADRP CC[C@@H](C(=O)NC[C@@H](C)[NH+](CC)CC)[N@H+](C)Cc1ccccc1 ZINC000339439042 427776014 /nfs/dbraw/zinc/77/60/14/427776014.db2.gz RFIVRVZKAAWZDZ-AEFFLSMTSA-N 2 0 319.493 2.744 20 0 DFADRP FC(F)(F)[C@H]1C[C@@H]([NH2+]CCCCC[NH+]2CCCC2)CCO1 ZINC000339499666 427783803 /nfs/dbraw/zinc/78/38/03/427783803.db2.gz HBLUZXKTASRASG-UONOGXRCSA-N 2 0 308.388 2.952 20 0 DFADRP c1ccc(C[NH+]2CC[C@@H]3C[N@@H+](C[C@@H]4CCCOC4)C[C@H]3C2)cc1 ZINC000336713546 427749267 /nfs/dbraw/zinc/74/92/67/427749267.db2.gz NCESFFQVACBYLY-XUVXKRRUSA-N 2 0 314.473 2.867 20 0 DFADRP CC(C)C[N@@H+]1CCO[C@@H](CNc2cc(C(F)(F)F)ccn2)C1 ZINC000301510036 427801039 /nfs/dbraw/zinc/80/10/39/427801039.db2.gz DXSBMBJZSOHOJO-ZDUSSCGKSA-N 2 0 317.355 2.869 20 0 DFADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)CC(C)(C)C1CC1 ZINC000339655955 427808097 /nfs/dbraw/zinc/80/80/97/427808097.db2.gz XWMFBANZZSHCSL-QGZVFWFLSA-N 2 0 323.525 2.687 20 0 DFADRP C[C@@](O)(C[NH+]1CCC(CCC[NH+]2CCCC2)CC1)C(F)(F)F ZINC000337172837 427809323 /nfs/dbraw/zinc/80/93/23/427809323.db2.gz FXJNZMCJWUZGRQ-OAHLLOKOSA-N 2 0 322.415 2.888 20 0 DFADRP Cc1cccc2c(N3CC[C@@H](C[NH+]4CCOCC4)C3)cc[nH+]c12 ZINC000301667392 427814674 /nfs/dbraw/zinc/81/46/74/427814674.db2.gz MGEJZNGUFJICTP-INIZCTEOSA-N 2 0 311.429 2.702 20 0 DFADRP Cc1cc(N2CC[N@@H+](C[C@H](C)O)[C@H](C)C2)c2cc(F)ccc2[nH+]1 ZINC000301688760 427816415 /nfs/dbraw/zinc/81/64/15/427816415.db2.gz VPFSPQJUTORQNF-KGLIPLIRSA-N 2 0 317.408 2.574 20 0 DFADRP CN(C)c1ccnc(NC[C@H](c2cccs2)[NH+]2CCCC2)n1 ZINC000301734699 427819762 /nfs/dbraw/zinc/81/97/62/427819762.db2.gz QSHZOIYAZNPNPF-CYBMUJFWSA-N 2 0 317.462 2.853 20 0 DFADRP C[C@@H]1CCC[N@@H+]1C1CCN(c2cc(NCC3CC3)ncn2)CC1 ZINC000301833332 427827996 /nfs/dbraw/zinc/82/79/96/427827996.db2.gz RYCPHXUBKNGDBP-CQSZACIVSA-N 2 0 315.465 2.752 20 0 DFADRP c1ccc(C[N@@H+]2CC[C@H](N3CCC[C@H]([NH+]4CCCC4)C3)C2)cc1 ZINC000355686042 427848543 /nfs/dbraw/zinc/84/85/43/427848543.db2.gz YSMQEZNTXVTMAI-PMACEKPBSA-N 2 0 313.489 2.821 20 0 DFADRP CCc1c(C)[nH+]c2ccccc2c1N1C[C@@H]2OCC[N@H+](C)[C@H]2C1 ZINC000302075799 427849934 /nfs/dbraw/zinc/84/99/34/427849934.db2.gz XVMATNCMLBALHW-ROUUACIJSA-N 2 0 311.429 2.625 20 0 DFADRP Cc1cc([C@H]2CCC[N@H+]2CCCN2CC[NH+](C(C)C)CC2)on1 ZINC000337335605 427851428 /nfs/dbraw/zinc/85/14/28/427851428.db2.gz LZCNQSJVPYSPSY-QGZVFWFLSA-N 2 0 320.481 2.536 20 0 DFADRP Cc1cccc(N2CC[NH+](CCCNc3cc[nH+]cc3C)CC2)c1 ZINC000359445582 427853833 /nfs/dbraw/zinc/85/38/33/427853833.db2.gz WSIVCESRTOANOJ-UHFFFAOYSA-N 2 0 324.472 2.745 20 0 DFADRP COCCN1CCC[C@@H]1C[NH2+][C@@H]1CCC[C@@H](c2cccnc2)C1 ZINC000337343047 427854795 /nfs/dbraw/zinc/85/47/95/427854795.db2.gz RXVPYKZXWNLHKN-BHIYHBOVSA-N 2 0 317.477 2.808 20 0 DFADRP c1nc2ccccc2n1-c1ccc(C[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000359457211 427861425 /nfs/dbraw/zinc/86/14/25/427861425.db2.gz IHWFEDIJVITRQT-IRXDYDNUSA-N 2 0 318.424 2.677 20 0 DFADRP C[N@H+](CCCNC(=O)[C@H]1CCCC[C@]1(C)[NH3+])Cc1ccccc1 ZINC000345693814 427862192 /nfs/dbraw/zinc/86/21/92/427862192.db2.gz OZNSGSGUKAXKRE-MJGOQNOKSA-N 2 0 317.477 2.532 20 0 DFADRP CC(C)(C)[C@@H]1CC[C@H]1[NH2+]C[C@@H](O)CN1CCc2ccccc2C1 ZINC000340506023 427867784 /nfs/dbraw/zinc/86/77/84/427867784.db2.gz QWDHZJKOLGDMDA-GUDVDZBRSA-N 2 0 316.489 2.820 20 0 DFADRP Fc1cccc(CC[N@@H+]2CCC[C@H](CN3CCOCC3)C2)c1F ZINC000337397026 427884591 /nfs/dbraw/zinc/88/45/91/427884591.db2.gz JIDXSNAUKSKLNV-HNNXBMFYSA-N 2 0 324.415 2.552 20 0 DFADRP Cc1cc2ncn(C[C@@H](O)C[N@H+]3CCC[C@@H](C)C3)c2cc1C ZINC000303098403 427896258 /nfs/dbraw/zinc/89/62/58/427896258.db2.gz XSASUYWVXWUHHO-CJNGLKHVSA-N 2 0 301.434 2.746 20 0 DFADRP C[N@@H+]1CCC[C@@H]1CC[NH+]1CCC[C@H](c2ncc3n2CCCC3)C1 ZINC000337427248 427901097 /nfs/dbraw/zinc/90/10/97/427901097.db2.gz BRGSXZXXVFLDGX-DLBZAZTESA-N 2 0 316.493 2.883 20 0 DFADRP CC[C@@H](C)[NH2+][C@H](CNC(=O)C[NH+]1CCC(C)CC1)c1ccco1 ZINC000359549379 427904218 /nfs/dbraw/zinc/90/42/18/427904218.db2.gz VTMODBJTZYQVGA-HZPDHXFCSA-N 2 0 321.465 2.557 20 0 DFADRP CC[C@H](C(=O)N[C@H](C)C[N@H+]1C[C@H](C)C[C@H](C)C1)[NH+](CC)CC ZINC000345790909 427908460 /nfs/dbraw/zinc/90/84/60/427908460.db2.gz HHVSNXUWPCRTFR-YYIAUSFCSA-N 2 0 311.514 2.589 20 0 DFADRP CC[C@H](C(=O)N[C@H](C)C[NH+]1C[C@H](C)C[C@@H](C)C1)[NH+](CC)CC ZINC000345790906 427908716 /nfs/dbraw/zinc/90/87/16/427908716.db2.gz HHVSNXUWPCRTFR-QBPKDAKJSA-N 2 0 311.514 2.589 20 0 DFADRP [NH3+]CC1CC[NH+](Cc2cccc(OCc3ccccn3)c2)CC1 ZINC000346686805 272669809 /nfs/dbraw/zinc/66/98/09/272669809.db2.gz KMDXEXBUKFIDPW-UHFFFAOYSA-N 2 0 311.429 2.831 20 0 DFADRP O[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000304231480 427920024 /nfs/dbraw/zinc/92/00/24/427920024.db2.gz NUNRHPBMXYFAPV-RBUKOAKNSA-N 2 0 318.461 2.554 20 0 DFADRP C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)[C@@H]1CCCC[C@@]1(C)[NH3+] ZINC000345825070 427920042 /nfs/dbraw/zinc/92/00/42/427920042.db2.gz VRWJCJBPTLIVLE-SOLBZPMBSA-N 2 0 309.498 2.665 20 0 DFADRP C[C@H]([NH2+][C@H]1CCCN(C)[C@H]1C)c1cccc(OCC[NH+](C)C)c1 ZINC000346788170 272683529 /nfs/dbraw/zinc/68/35/29/272683529.db2.gz HBMGYFPBRQHICT-BXWFABGCSA-N 2 0 319.493 2.760 20 0 DFADRP NC(=O)[C@@H]1CCC[N@H+](CCC[NH2+][C@@H]2CCCCC23CCCC3)C1 ZINC000340228244 427961074 /nfs/dbraw/zinc/96/10/74/427961074.db2.gz JTZORCRZLCOAMO-IAGOWNOFSA-N 2 0 321.509 2.666 20 0 DFADRP CC1(C)OCC[C@H]1[NH2+]Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000340238720 427963913 /nfs/dbraw/zinc/96/39/13/427963913.db2.gz JSRBRIVUKVCNNZ-GOSISDBHSA-N 2 0 318.461 2.818 20 0 DFADRP C[NH+](C)CC1CC[NH+]([C@@H]2CCN(Cc3ccccc3)C2)CC1 ZINC000340277721 427975001 /nfs/dbraw/zinc/97/50/01/427975001.db2.gz CQXPCBQGNVZWLO-LJQANCHMSA-N 2 0 301.478 2.535 20 0 DFADRP COC1(C[NH2+]C2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)CCCCC1 ZINC000359700172 427978947 /nfs/dbraw/zinc/97/89/47/427978947.db2.gz MJVNCSVRGPGDGY-ZWKOTPCHSA-N 2 0 324.509 2.693 20 0 DFADRP C[C@H]1[C@H]([NH2+]CC2=CC[N@H+](C)CC2)CCCN1Cc1ccccc1 ZINC000340314540 427983157 /nfs/dbraw/zinc/98/31/57/427983157.db2.gz DVJCMEYLKCNNAL-FXAWDEMLSA-N 2 0 313.489 2.891 20 0 DFADRP COC(=O)[C@H](C1CC1)[NH+]1CCC(CCC[NH+]2CCCC2)CC1 ZINC000359597361 427930244 /nfs/dbraw/zinc/93/02/44/427930244.db2.gz OFLLMZGQAYALJD-KRWDZBQOSA-N 2 0 308.466 2.526 20 0 DFADRP CC[N@@H+]1CCC[C@@H]1CN[C@@H]1CC[NH+](C)[C@H](c2ccccc2)C1 ZINC000340180314 427947122 /nfs/dbraw/zinc/94/71/22/427947122.db2.gz HKNXPBOQXHJMFQ-QRVBRYPASA-N 2 0 301.478 2.896 20 0 DFADRP CCC[N@H+](CC)C[C@@H](C)NC(=O)[C@H]1CCC[NH+]1C1CCCC1 ZINC000359806280 428025057 /nfs/dbraw/zinc/02/50/57/428025057.db2.gz LWIKWUCXEIXFHC-NVXWUHKLSA-N 2 0 309.498 2.630 20 0 DFADRP C[NH+]1CCC(Oc2ccc(C[NH2+]C[C@@H]3CCCOC3)cc2)CC1 ZINC000341253103 428028129 /nfs/dbraw/zinc/02/81/29/428028129.db2.gz JJVTYNVUUFJXJH-KRWDZBQOSA-N 2 0 318.461 2.676 20 0 DFADRP CC[N@@H+](Cc1cn(-c2cc[nH+]cc2)nc1C)C[C@@H]1CCCO1 ZINC000346131587 428029847 /nfs/dbraw/zinc/02/98/47/428029847.db2.gz KLOZUABWIGBHKH-KRWDZBQOSA-N 2 0 300.406 2.577 20 0 DFADRP C[C@@H](O)C[N@H+](C)C1CC[NH+]([C@H](C)CCc2cccc(F)c2)CC1 ZINC000341332799 428033928 /nfs/dbraw/zinc/03/39/28/428033928.db2.gz WQWQQQFGEFSQTB-HZPDHXFCSA-N 2 0 322.468 2.924 20 0 DFADRP CC(C)[C@@H]([NH3+])C(=O)NCc1ccccc1C[NH+]1CCC(C)CC1 ZINC000347475223 272794020 /nfs/dbraw/zinc/79/40/20/272794020.db2.gz NGKLPILYDIXDPO-GOSISDBHSA-N 2 0 317.477 2.518 20 0 DFADRP Cn1nccc1[C@H]1CCC[C@H]([NH2+][C@H]2CCC[C@@H]([NH+](C)C)C2)C1 ZINC000369558281 427996788 /nfs/dbraw/zinc/99/67/88/427996788.db2.gz CIQABAYFCHOXII-LUKYLMHMSA-N 2 0 304.482 2.909 20 0 DFADRP C[C@@H]1[C@H]([NH2+][C@H]2C[C@H](O)C2(C)C)CCCN1Cc1ccccc1 ZINC000340356217 427996978 /nfs/dbraw/zinc/99/69/78/427996978.db2.gz PDRMXAUZDBMSSX-BGTYHANMSA-N 2 0 302.462 2.789 20 0 DFADRP Cc1nc(COc2ccc(CN3CCC[C@@H]([NH3+])C3)cc2)cs1 ZINC000346061926 428004082 /nfs/dbraw/zinc/00/40/82/428004082.db2.gz IYNLRYKGSNUFKW-OAHLLOKOSA-N 2 0 317.458 2.954 20 0 DFADRP CC[N@@H+]1CC[C@@H]([NH+](C)CCc2ccccc2C(=O)OC)C[C@H]1C ZINC000359888655 428061534 /nfs/dbraw/zinc/06/15/34/428061534.db2.gz UWFDVFLYKQKLQG-NVXWUHKLSA-N 2 0 318.461 2.820 20 0 DFADRP CCC[N@H+](CC)C[C@@H](C)NC(=O)c1cccc(C[NH+](C)C)c1 ZINC000359778305 428015325 /nfs/dbraw/zinc/01/53/25/428015325.db2.gz NIEGIPSJHUTBTR-OAHLLOKOSA-N 2 0 305.466 2.598 20 0 DFADRP Cn1ccnc1-c1cccc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000369840224 428073201 /nfs/dbraw/zinc/07/32/01/428073201.db2.gz KGGAIKRSVGBNFV-ROUUACIJSA-N 2 0 310.445 2.804 20 0 DFADRP Cc1ncccc1CN1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000369854860 428075808 /nfs/dbraw/zinc/07/58/08/428075808.db2.gz ANUJKKQITQLDPU-BGYRXZFFSA-N 2 0 307.441 2.954 20 0 DFADRP CC(C)[NH+]1CCC([N@H+](C)CCOCC(F)(F)C(F)F)CC1 ZINC000346246132 428089799 /nfs/dbraw/zinc/08/97/99/428089799.db2.gz NTSKIMUVQYRHPE-UHFFFAOYSA-N 2 0 314.367 2.708 20 0 DFADRP CC(C)c1nccn1CCC(=O)N1CCCC[C@H]1c1ncc[nH]1 ZINC000369943368 428096077 /nfs/dbraw/zinc/09/60/77/428096077.db2.gz QYRPXVRUOGVMKH-AWEZNQCLSA-N 2 0 315.421 2.874 20 0 DFADRP CC[NH+]1CCN(CCC[NH2+]Cc2ccsc2Cl)CC1 ZINC000359963394 428096318 /nfs/dbraw/zinc/09/63/18/428096318.db2.gz KGXMIZTYICGBCE-UHFFFAOYSA-N 2 0 301.887 2.519 20 0 DFADRP [NH3+][C@H]1CCC[C@@H](C(=O)Nc2cccc(CC[NH+]3CCCC3)c2)C1 ZINC000346280717 428105480 /nfs/dbraw/zinc/10/54/80/428105480.db2.gz JZDFKJWEJRWZFJ-SJORKVTESA-N 2 0 315.461 2.781 20 0 DFADRP CCN(CC[NH+]1CCCCCC1)C(=O)[C@@H](C1CC1)[NH+]1CCCC1 ZINC000346302511 428115832 /nfs/dbraw/zinc/11/58/32/428115832.db2.gz DLXOULZHGTUDSJ-GOSISDBHSA-N 2 0 321.509 2.585 20 0 DFADRP c1ccc(C[N@H+]2C[C@@H]3CC[C@H]([NH2+]CC[C@@H]4CCOC4)[C@H]3C2)cc1 ZINC000346360628 428140615 /nfs/dbraw/zinc/14/06/15/428140615.db2.gz JGLAFRRCRFZMPF-FYQPLNBISA-N 2 0 314.473 2.913 20 0 DFADRP CC[C@H]([NH2+]CCCN1CC[NH+](Cc2ccccc2)CC1)C1CC1 ZINC000360072726 428145504 /nfs/dbraw/zinc/14/55/04/428145504.db2.gz RMDMXIDUTMWNOT-FQEVSTJZSA-N 2 0 315.505 2.973 20 0 DFADRP CC(C)SCC[NH+]1CCC(CC[NH+]2CCOCC2)CC1 ZINC000370185333 428152159 /nfs/dbraw/zinc/15/21/59/428152159.db2.gz QUWLTXKUSLCJCG-UHFFFAOYSA-N 2 0 300.512 2.562 20 0 DFADRP Cc1ccc(C[NH+](C)C)cc1NC(=O)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000346374802 428147969 /nfs/dbraw/zinc/14/79/69/428147969.db2.gz BMJCPZGBDREXHA-ZBFHGGJFSA-N 2 0 303.450 2.725 20 0 DFADRP C[N@@H+]1CC[C@H](CNC(=[NH2+])Nc2ccccn2)[C@@H]1c1cccs1 ZINC000370164693 428148949 /nfs/dbraw/zinc/14/89/49/428148949.db2.gz XYOCDCFMJRRXLR-IUODEOHRSA-N 2 0 315.446 2.772 20 0 DFADRP C[NH+]1CCC(O)(C[NH2+][C@H]2CCCOc3cc(Cl)ccc32)CC1 ZINC000341699027 428160465 /nfs/dbraw/zinc/16/04/65/428160465.db2.gz QHGAIDLKJRCZQD-HNNXBMFYSA-N 2 0 324.852 2.600 20 0 DFADRP CCC[NH+]1CCC([NH2+][C@@H]2CCc3nc(C(C)(C)C)cn3C2)CC1 ZINC000360157775 428185788 /nfs/dbraw/zinc/18/57/88/428185788.db2.gz WERUDHDTYNHBIT-MRXNPFEDSA-N 2 0 318.509 2.959 20 0 DFADRP Cc1cnc([C@@H](C)[NH+]2CCC(CCC[NH+]3CCOCC3)CC2)o1 ZINC000356418223 428169846 /nfs/dbraw/zinc/16/98/46/428169846.db2.gz ATQBWYJUWXJTRD-MRXNPFEDSA-N 2 0 321.465 2.868 20 0 DFADRP C[N@H+](Cc1ccc(Cl)cc1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000370265416 428171222 /nfs/dbraw/zinc/17/12/22/428171222.db2.gz HKYZJXBXLSEJAJ-SFHVURJKSA-N 2 0 321.896 2.940 20 0 DFADRP CCC[C@H]([NH2+]C(C)C)C(=O)N[C@@H](C[NH+](C)C)c1ccc(F)cc1 ZINC000360212751 428205970 /nfs/dbraw/zinc/20/59/70/428205970.db2.gz KTTWKJIBGMJAJM-IRXDYDNUSA-N 2 0 323.456 2.711 20 0 DFADRP CC[C@H](C)[C@H](C)C(=O)N(CC[NH+](C)C)C[C@H]1CCC[N@@H+]1CC ZINC000356498859 428206087 /nfs/dbraw/zinc/20/60/87/428206087.db2.gz ACQPWVPBVTUEHC-YESZJQIVSA-N 2 0 311.514 2.543 20 0 DFADRP COc1ccc([C@H](C)[NH2+]CCN2CCC([NH+](C)C)CC2)c(C)c1 ZINC000414111221 428208115 /nfs/dbraw/zinc/20/81/15/428208115.db2.gz MHFOZEOTEAWCRC-INIZCTEOSA-N 2 0 319.493 2.680 20 0 DFADRP C[C@@H]([NH2+]CCCC[NH+](C)C)c1cccc(N2CCCC2=O)c1 ZINC000341806067 428210247 /nfs/dbraw/zinc/21/02/47/428210247.db2.gz IPJFVBMGESRTRV-OAHLLOKOSA-N 2 0 303.450 2.806 20 0 DFADRP COc1ccc(C[C@H](C)[NH2+]C[C@@H]2CCC[N@@H+](C(C)C)C2)cn1 ZINC000414124206 428211813 /nfs/dbraw/zinc/21/18/13/428211813.db2.gz PFNULSHGRKVQOZ-RDJZCZTQSA-N 2 0 305.466 2.731 20 0 DFADRP c1ccc(C[NH+]2CC[C@@H]3C[N@@H+](CC[C@@H]4CCOC4)C[C@@H]3C2)cc1 ZINC000356517014 428212438 /nfs/dbraw/zinc/21/24/38/428212438.db2.gz GAPILWASZNHKMN-AQNXPRMDSA-N 2 0 314.473 2.867 20 0 DFADRP O[C@@H]1CCC[C@H]1[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H]2CCC[C@H]21 ZINC000414131023 428214750 /nfs/dbraw/zinc/21/47/50/428214750.db2.gz YMGKCZOAWJDQNU-MFKWGIFDSA-N 2 0 314.473 2.933 20 0 DFADRP CC(C)[NH+]1CCC(O)(C[NH2+][C@H]2Cc3ccc(Cl)cc3C2)CC1 ZINC000360245237 428219793 /nfs/dbraw/zinc/21/97/93/428219793.db2.gz MDTUSTURCSNCBR-KRWDZBQOSA-N 2 0 322.880 2.632 20 0 DFADRP Cn1nccc1[C@H]1CCC[C@@H]([NH2+]CC[C@H]2CCC[N@H+](C)C2)C1 ZINC000414172742 428225139 /nfs/dbraw/zinc/22/51/39/428225139.db2.gz FGCFVWINFCKNPW-IXDOHACOSA-N 2 0 304.482 2.768 20 0 DFADRP Cn1nccc1[C@@H]1CCC[C@@H]([NH2+]CC[C@H]2CCC[N@H+](C)C2)C1 ZINC000414172740 428225717 /nfs/dbraw/zinc/22/57/17/428225717.db2.gz FGCFVWINFCKNPW-BRWVUGGUSA-N 2 0 304.482 2.768 20 0 DFADRP COC(=O)c1csc([C@@H](C)[NH2+]CC[C@@H]2CCC[N@H+](C)C2)c1 ZINC000414184679 428227748 /nfs/dbraw/zinc/22/77/48/428227748.db2.gz OCSCKBCIGRYGEN-OLZOCXBDSA-N 2 0 310.463 2.917 20 0 DFADRP C[C@H]([NH2+]CC[C@@H]1CCC[N@H+](C)C1)c1ccc(-n2cncn2)cc1 ZINC000414187582 428228985 /nfs/dbraw/zinc/22/89/85/428228985.db2.gz QBITYAPASNRWBP-HOTGVXAUSA-N 2 0 313.449 2.650 20 0 DFADRP C[C@H]([NH2+]CC[C@@H]1CCC[N@H+](C)C1)c1ccc([S@@](C)=O)cc1 ZINC000414189246 428230601 /nfs/dbraw/zinc/23/06/01/428230601.db2.gz RESXNOGINVXBJA-VFCRVFHLSA-N 2 0 308.491 2.807 20 0 DFADRP CCc1ccc(C[NH2+]CCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)cn1 ZINC000352756158 428233779 /nfs/dbraw/zinc/23/37/79/428233779.db2.gz OLYMGXDHVDAREU-IYBDPMFKSA-N 2 0 305.466 2.623 20 0 DFADRP C[N@@H+](Cc1cnn(-c2ccccc2)c1)C[C@H]1CCn2ccnc2C1 ZINC000377688025 428197389 /nfs/dbraw/zinc/19/73/89/428197389.db2.gz VSEOXODFJSZWRY-INIZCTEOSA-N 2 0 321.428 2.763 20 0 DFADRP COc1ccc(C[C@@H](C)[NH2+]CCC[NH+]2CCC(C)CC2)cn1 ZINC000414063817 428197528 /nfs/dbraw/zinc/19/75/28/428197528.db2.gz MXRZCUYUEWEVHD-MRXNPFEDSA-N 2 0 305.466 2.733 20 0 DFADRP Cc1cccc(C[N@H+]2CCCC[C@@H](N3CCN(C)CC3)C2)c1C ZINC000377698338 428199555 /nfs/dbraw/zinc/19/95/55/428199555.db2.gz MKQQWUXZRRNTQU-HXUWFJFHSA-N 2 0 315.505 2.905 20 0 DFADRP C[C@@H]1C[C@H](C[NH3+])C[N@@H+]1Cc1c[nH]nc1-c1cccc(Cl)c1 ZINC000346671481 428264823 /nfs/dbraw/zinc/26/48/23/428264823.db2.gz JTHXTTHLNTYOEL-VXGBXAGGSA-N 2 0 304.825 2.899 20 0 DFADRP C[C@@H]1C[C@@H](C[NH3+])CN1CC(C)(C)C[N@H+](C)Cc1ccccc1 ZINC000346668526 428266104 /nfs/dbraw/zinc/26/61/04/428266104.db2.gz IUEFNZCKCYHOLQ-AEFFLSMTSA-N 2 0 303.494 2.814 20 0 DFADRP COc1ccc(-c2n[nH]cc2C[N@H+](C)CC[C@H]([NH3+])C(C)C)cc1 ZINC000346684177 428274321 /nfs/dbraw/zinc/27/43/21/428274321.db2.gz RHRJBVBDZPDJQY-KRWDZBQOSA-N 2 0 316.449 2.891 20 0 DFADRP OC[C@H]1CCC[N@@H+]1C[C@@H]1CCCN1c1cc[nH+]c2ccccc21 ZINC000370723188 428283389 /nfs/dbraw/zinc/28/33/89/428283389.db2.gz SOYVSQARKFCKMP-JKSUJKDBSA-N 2 0 311.429 2.660 20 0 DFADRP CCCOc1cc(C[NH2+][C@H]2CCc3nc[nH]c3C2)ccc1OC ZINC000370729436 428286999 /nfs/dbraw/zinc/28/69/99/428286999.db2.gz IHGASWNWZVFVKT-AWEZNQCLSA-N 2 0 315.417 2.854 20 0 DFADRP C[C@@H]([NH2+]C1CC[NH+](CC2CCCC2)CC1)C(C)(C)n1cncn1 ZINC000370740297 428289767 /nfs/dbraw/zinc/28/97/67/428289767.db2.gz RRSJVARDVLSIPV-OAHLLOKOSA-N 2 0 319.497 2.646 20 0 DFADRP CC[NH+](CC)Cc1cccc(C[NH2+][C@H]2CC[N@H+](C)C[C@H]2C)c1 ZINC000360417048 428289891 /nfs/dbraw/zinc/28/98/91/428289891.db2.gz PSWPVQLRLHCTIF-APWZRJJASA-N 2 0 303.494 2.958 20 0 DFADRP C[C@@H]1C[N@H+](C[C@H]2CCCO2)CC[C@@H]1[NH2+]CCc1ccc(F)cc1 ZINC000370608338 428251623 /nfs/dbraw/zinc/25/16/23/428251623.db2.gz KEMGSCOZRQSXQI-LZQZEXGQSA-N 2 0 320.452 2.847 20 0 DFADRP CC[NH+](CC)Cc1cccc(NC(=O)[C@H]2C[NH+]3CCC2CC3)c1 ZINC000370612376 428251688 /nfs/dbraw/zinc/25/16/88/428251688.db2.gz LXZQJGPJHGBHQD-SFHVURJKSA-N 2 0 315.461 2.809 20 0 DFADRP CC[NH+](CC(C)C[N@@H+](CC)C[C@H]1CCCO1)C[C@H]1CCCO1 ZINC000346645913 428253042 /nfs/dbraw/zinc/25/30/42/428253042.db2.gz QIRGUMKQXGFWME-QZTJIDSGSA-N 2 0 312.498 2.624 20 0 DFADRP c1ccc(C[NH+]2CC[C@]3(CC[N@@H+](C[C@@H]4CCOC4)C3)C2)cc1 ZINC000352816272 428258886 /nfs/dbraw/zinc/25/88/86/428258886.db2.gz NYGJLEMBUHWGND-OALUTQOASA-N 2 0 300.446 2.621 20 0 DFADRP CC(C)(O)C[NH+]1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000370649860 428262524 /nfs/dbraw/zinc/26/25/24/428262524.db2.gz IASWUVBVEMAZCN-UHFFFAOYSA-N 2 0 302.462 2.745 20 0 DFADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1[NH2+]CCc1cc(F)c(F)c(F)c1 ZINC000356791511 428309196 /nfs/dbraw/zinc/30/91/96/428309196.db2.gz SZSHOISRFBBFOT-JRPNMDOOSA-N 2 0 300.368 2.965 20 0 DFADRP [NH3+]C1(C[NH2+]CCC(=O)Nc2cccc(C(F)(F)F)c2)CCC1 ZINC000342135780 428315840 /nfs/dbraw/zinc/31/58/40/428315840.db2.gz QFPZVJZSFJRVDL-UHFFFAOYSA-N 2 0 315.339 2.505 20 0 DFADRP COc1cc2c(c(CN3CC[C@@H]4CC[N@H+](C)C[C@@H]43)c1)O[C@H](C)C2 ZINC000352930308 428316734 /nfs/dbraw/zinc/31/67/34/428316734.db2.gz KBRXJNCXOYXAOU-GLJUWKHASA-N 2 0 316.445 2.545 20 0 DFADRP CC[NH+]1CCN(c2ccccc2C[NH2+][C@@H]2CS[C@@H](C)C2)CC1 ZINC000414502813 428322763 /nfs/dbraw/zinc/32/27/63/428322763.db2.gz VDMQOICCOFIFIF-RDJZCZTQSA-N 2 0 319.518 2.812 20 0 DFADRP CN(C)c1cc[nH+]cc1CNc1ccc(C[NH+](C)C)cc1F ZINC000414504341 428323180 /nfs/dbraw/zinc/32/31/80/428323180.db2.gz YBQURDZFSYQPOW-UHFFFAOYSA-N 2 0 302.397 2.960 20 0 DFADRP COc1ccc(OCCC[N@@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)cc1 ZINC000342152818 428326256 /nfs/dbraw/zinc/32/62/56/428326256.db2.gz YTBLABFXXBXGIE-QGTPRVQTSA-N 2 0 304.434 2.523 20 0 DFADRP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](Cc3c[nH]nc3-c3ccc(F)cc3)C[C@@H]21 ZINC000346823945 428332037 /nfs/dbraw/zinc/33/20/37/428332037.db2.gz KEERQLXTSXHVIZ-XOKHGSTOSA-N 2 0 314.408 2.775 20 0 DFADRP FC(F)(F)CC[NH+]1CCC(N[C@H]2CC[N@@H+]3CCCC[C@H]23)CC1 ZINC000356844012 428334554 /nfs/dbraw/zinc/33/45/54/428334554.db2.gz LYIPOGOZOBEQEA-LSDHHAIUSA-N 2 0 319.415 2.620 20 0 DFADRP C[C@@H](C[NH2+]C1CCN(CCC(F)(F)F)CC1)C[NH+]1CCCC1 ZINC000356840455 428335287 /nfs/dbraw/zinc/33/52/87/428335287.db2.gz FMDVQYFCMWIOSS-AWEZNQCLSA-N 2 0 321.431 2.725 20 0 DFADRP COc1cc(C[N@@H+]2C[C@H](C[NH3+])C[C@@H]2C)c(SC)cc1OC ZINC000346832573 428337056 /nfs/dbraw/zinc/33/70/56/428337056.db2.gz LMEBZHQPNRDEON-RYUDHWBXSA-N 2 0 310.463 2.595 20 0 DFADRP CC[NH+](CC)Cc1cccc(CNC(=O)[C@]2(CC)CC[NH2+]C2)c1 ZINC000378221601 428337398 /nfs/dbraw/zinc/33/73/98/428337398.db2.gz LMUXPTYXRZBFFX-LJQANCHMSA-N 2 0 317.477 2.534 20 0 DFADRP CC[NH+](CC)[C@H](C(=O)N1CCN(C)[C@H](C)[C@H]1C)c1ccccc1 ZINC000356851459 428337682 /nfs/dbraw/zinc/33/76/82/428337682.db2.gz MVFXEOOTPXWSDA-NUJGCVRESA-N 2 0 317.477 2.621 20 0 DFADRP COc1ccc([C@@H]2CCC[N@@H+]2C[C@@H]2CCC[NH2+]C2)cc1OC ZINC000346837223 428339776 /nfs/dbraw/zinc/33/97/76/428339776.db2.gz PQJGXBAXEIFCFS-ZBFHGGJFSA-N 2 0 304.434 2.840 20 0 DFADRP CC[NH+](CC)Cc1ccccc1CNC(=O)CC[C@@H]1CC[NH2+]C1 ZINC000261846298 273639250 /nfs/dbraw/zinc/63/92/50/273639250.db2.gz ZGGQHROWKKXXPZ-MRXNPFEDSA-N 2 0 317.477 2.534 20 0 DFADRP C[C@H]1C[N@H+](C)CC[C@@H]1[NH2+]CC1CC[NH+](Cc2ccccc2)CC1 ZINC000360575542 428354718 /nfs/dbraw/zinc/35/47/18/428354718.db2.gz YXCCFJMIOXEAAF-PXNSSMCTSA-N 2 0 315.505 2.828 20 0 DFADRP CCc1ccccc1NC(=O)C[C@H](C)[NH2+][C@@H]1CCC[C@@H]1C[NH3+] ZINC000414794153 428413951 /nfs/dbraw/zinc/41/39/51/428413951.db2.gz FHDSCWPHMDAQMJ-YSVLISHTSA-N 2 0 303.450 2.683 20 0 DFADRP c1ccc(OCc2cccnc2)c(CN2CC[C@H]3C[NH2+]C[C@H]3C2)c1 ZINC000357106248 428389778 /nfs/dbraw/zinc/38/97/78/428389778.db2.gz QDGNVJQYOXSEPP-HKUYNNGSSA-N 2 0 323.440 2.702 20 0 DFADRP CC(C)[NH+]1CCN(CCC[N@@H+]2CCC[C@H]2c2cccnc2)CC1 ZINC000346970239 428390663 /nfs/dbraw/zinc/39/06/63/428390663.db2.gz GFDQQECAKACOJW-IBGZPJMESA-N 2 0 316.493 2.635 20 0 DFADRP Cc1cc(CN2CC[C@H]3C[NH2+]C[C@H]3C2)sc1Br ZINC000357107770 428390877 /nfs/dbraw/zinc/39/08/77/428390877.db2.gz TVPUJYNBDAABNX-QWRGUYRKSA-N 2 0 315.280 2.860 20 0 DFADRP CC[N@@H+](Cc1ccc(OC)cc1OC)C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000414735114 428391480 /nfs/dbraw/zinc/39/14/80/428391480.db2.gz BXUNOHTXSDPCSE-HUUCEWRRSA-N 2 0 306.450 2.914 20 0 DFADRP C[C@@H]1C[C@H](CN2CC[NH2+]C[C@H]2c2ccccc2Cl)CC[NH2+]1 ZINC000414746363 428393676 /nfs/dbraw/zinc/39/36/76/428393676.db2.gz ZDSVMGOJXDWDQZ-CPUCHLNUSA-N 2 0 307.869 2.674 20 0 DFADRP Cc1cc(C)cc(C[N@H+]2CCC[C@H](CN3CC[NH+](C)CC3)C2)c1 ZINC000378439101 428394007 /nfs/dbraw/zinc/39/40/07/428394007.db2.gz ZYIRNXIKGJSLHA-LJQANCHMSA-N 2 0 315.505 2.763 20 0 DFADRP Cc1cc(C[N@H+]2CCC[C@H](CN3CC[NH+](C)CC3)C2)c(C)s1 ZINC000378431237 428394058 /nfs/dbraw/zinc/39/40/58/428394058.db2.gz FCZMQEZZUHRXHT-QGZVFWFLSA-N 2 0 321.534 2.824 20 0 DFADRP CC1(C)Cc2cc(C[N@H+]3CC[C@H]4C[NH2+]C[C@H]4CC3)ccc2O1 ZINC000414765354 428399295 /nfs/dbraw/zinc/39/92/95/428399295.db2.gz FSCOALWKHVBCGR-IYBDPMFKSA-N 2 0 300.446 2.832 20 0 DFADRP COCCOc1ccc(C[N@@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)cc1 ZINC000414771779 428401725 /nfs/dbraw/zinc/40/17/25/428401725.db2.gz AOIXCBJBHALXKV-MSOLQXFVSA-N 2 0 318.461 2.533 20 0 DFADRP COc1cccc(C[N@@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)c1OC ZINC000414775110 428401802 /nfs/dbraw/zinc/40/18/02/428401802.db2.gz GEZSSASMTFKSMY-HUUCEWRRSA-N 2 0 304.434 2.525 20 0 DFADRP COCCOc1ccc(C[N@@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)cc1 ZINC000414771780 428402410 /nfs/dbraw/zinc/40/24/10/428402410.db2.gz AOIXCBJBHALXKV-QZTJIDSGSA-N 2 0 318.461 2.533 20 0 DFADRP Cc1ccc(-c2n[nH]cc2C[N@@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)o1 ZINC000414776711 428404697 /nfs/dbraw/zinc/40/46/97/428404697.db2.gz HNFYDPFMRQBGSS-GJZGRUSLSA-N 2 0 314.433 2.800 20 0 DFADRP COc1ccc(C[C@H](C)CN2CC[NH2+]C[C@](C)(F)C2)cc1F ZINC000414780334 428404795 /nfs/dbraw/zinc/40/47/95/428404795.db2.gz SUYFDRJHVKNEIV-GUYCJALGSA-N 2 0 312.404 2.646 20 0 DFADRP CCC[C@H](CCc1ccccc1)[NH2+]CCCN1CC[NH2+]CC1 ZINC000414784300 428407240 /nfs/dbraw/zinc/40/72/40/428407240.db2.gz SELSALGPVXJXFK-LJQANCHMSA-N 2 0 303.494 2.673 20 0 DFADRP c1cnn(-c2cccc(C[N@@H+]3CCC[C@@H]([C@H]4CC[NH2+]C4)C3)c2)c1 ZINC000414781841 428407976 /nfs/dbraw/zinc/40/79/76/428407976.db2.gz NMLWYGVKNMOGJF-ZWKOTPCHSA-N 2 0 310.445 2.694 20 0 DFADRP C[C@@H](Cc1ccccc1)C[N@@H+]1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000414785432 428408074 /nfs/dbraw/zinc/40/80/74/428408074.db2.gz SRCYOHSVIBSTEQ-WMZOPIPTSA-N 2 0 302.462 2.553 20 0 DFADRP COCCOc1cccc(C[N@@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)c1 ZINC000414784978 428408232 /nfs/dbraw/zinc/40/82/32/428408232.db2.gz RXODUMZWEZBCJW-MSOLQXFVSA-N 2 0 318.461 2.533 20 0 DFADRP C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@@H]1[NH2+]CCC[C@H]1CCCCO1 ZINC000371889664 428409101 /nfs/dbraw/zinc/40/91/01/428409101.db2.gz ZCAYLMYUYZSXEI-YRXWBPOGSA-N 2 0 324.509 2.815 20 0 DFADRP CCN(CC)c1ncc(C[NH+]2CCC([C@@H]3CCC[NH2+]3)CC2)s1 ZINC000347023851 428410120 /nfs/dbraw/zinc/41/01/20/428410120.db2.gz QEHAUUGOLHVOQF-INIZCTEOSA-N 2 0 322.522 2.953 20 0 DFADRP Cc1cc(C[NH+]2CCC([C@@H]3OCC[C@H]3[NH3+])CC2)ccc1Cl ZINC000414789413 428410678 /nfs/dbraw/zinc/41/06/78/428410678.db2.gz OGTDZGIZKFFSHK-SJORKVTESA-N 2 0 308.853 2.977 20 0 DFADRP COc1cc2c(c(C[NH+]3CCC([C@@H](C)[NH3+])CC3)c1)O[C@H](C)C2 ZINC000347025422 428410917 /nfs/dbraw/zinc/41/09/17/428410917.db2.gz SDTRBBLZWZNQTB-CHWSQXEVSA-N 2 0 304.434 2.578 20 0 DFADRP COc1c(C)cc(C[NH+]2CCC([C@@H]3OCC[C@H]3[NH3+])CC2)cc1C ZINC000414792268 428411863 /nfs/dbraw/zinc/41/18/63/428411863.db2.gz RPTOUPUPOCZIJB-MJGOQNOKSA-N 2 0 318.461 2.640 20 0 DFADRP COc1ccc(C[NH+]2CCC([C@@H]3OCC[C@H]3[NH3+])CC2)c(Cl)c1 ZINC000414790648 428412787 /nfs/dbraw/zinc/41/27/87/428412787.db2.gz PZRLFCAJMYDDIC-SJORKVTESA-N 2 0 324.852 2.677 20 0 DFADRP CCC[NH+]1CCN(c2ccccc2C[NH2+][C@H]2C[C@@H]2C(F)F)CC1 ZINC000342238444 428364720 /nfs/dbraw/zinc/36/47/20/428364720.db2.gz SQESSSCICWRWCR-HOTGVXAUSA-N 2 0 323.431 2.962 20 0 DFADRP COCC[C@@H](C)[NH2+]CC1CC[NH+](CCc2ccccc2)CC1 ZINC000371142906 428368269 /nfs/dbraw/zinc/36/82/69/428368269.db2.gz VIZGFTLNTRKIHM-QGZVFWFLSA-N 2 0 304.478 2.956 20 0 DFADRP CC(C)C[C@@H]([NH3+])CN(C)[C@@H](C)c1ccc(-n2cncn2)cc1 ZINC000414673098 428369467 /nfs/dbraw/zinc/36/94/67/428369467.db2.gz QFXKXEPMCDTBCO-GOEBONIOSA-N 2 0 301.438 2.634 20 0 DFADRP CC[N@H+](C[C@@H]1CC[NH2+][C@H](C)C1)C[C@@H]1COc2ccccc2O1 ZINC000414672231 428369901 /nfs/dbraw/zinc/36/99/01/428369901.db2.gz AMPVJKJYZXCZOO-BZUAXINKSA-N 2 0 304.434 2.536 20 0 DFADRP CC[C@@H]([NH2+]CC(=O)NC1CC[NH+](CC)CC1)c1ccc(C)cc1 ZINC000357051273 428373603 /nfs/dbraw/zinc/37/36/03/428373603.db2.gz FWQBMEVVGYPDFK-GOSISDBHSA-N 2 0 317.477 2.636 20 0 DFADRP C[C@@H]1C[C@@H](C[N@H+](C)Cc2ccc(Br)o2)CC[NH2+]1 ZINC000414683231 428374238 /nfs/dbraw/zinc/37/42/38/428374238.db2.gz ZRFFZFLHJUJRAQ-MNOVXSKESA-N 2 0 301.228 2.862 20 0 DFADRP O=C(NC1CCCCC1)[C@@H]1CCC[N@H+](CCC[NH+]2CCCC2)C1 ZINC000371179279 428375197 /nfs/dbraw/zinc/37/51/97/428375197.db2.gz XBRMUMVQVKKTJD-QGZVFWFLSA-N 2 0 321.509 2.633 20 0 DFADRP C[C@@H]1C[C@@H](C[N@H+](CCCO)[C@H]2CCc3ccccc32)CC[NH2+]1 ZINC000414688001 428376074 /nfs/dbraw/zinc/37/60/74/428376074.db2.gz CYCXRZQNPFGDKJ-GJYPPUQNSA-N 2 0 302.462 2.746 20 0 DFADRP [NH3+]CC(=O)N1CCC[C@@H](C[N@@H+]2CCC[C@H]2CC2CCCCC2)C1 ZINC000414687778 428376787 /nfs/dbraw/zinc/37/67/87/428376787.db2.gz IBGRHJAZYPZDFO-ROUUACIJSA-N 2 0 321.509 2.619 20 0 DFADRP CC[N@H+](C[C@@H]1CC[NH2+][C@H](C)C1)[C@H]1CCN(c2ccccc2)C1=O ZINC000414693873 428378694 /nfs/dbraw/zinc/37/86/94/428378694.db2.gz MMJGRZXZBAABAW-NUJGCVRESA-N 2 0 315.461 2.502 20 0 DFADRP COCCOCC[N@@H+](Cc1ccccc1)C[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000414695923 428379450 /nfs/dbraw/zinc/37/94/50/428379450.db2.gz ADXNHKMIVYLYFM-PKOBYXMFSA-N 2 0 320.477 2.540 20 0 DFADRP CCCCC[N@H+](C[C@H]1CCCN(C(=O)C[NH3+])C1)[C@H](C)CCC ZINC000414700823 428379700 /nfs/dbraw/zinc/37/97/00/428379700.db2.gz ZVPXLEXMQLAASE-IAGOWNOFSA-N 2 0 311.514 2.865 20 0 DFADRP CCN(CC)C(=O)CCC1CC[NH+](C[C@H]2CC[NH2+][C@@H](C)C2)CC1 ZINC000414714817 428383480 /nfs/dbraw/zinc/38/34/80/428383480.db2.gz QJJVMMGZWRSVDU-WMZOPIPTSA-N 2 0 323.525 2.735 20 0 DFADRP Cc1cc([C@@H]2C[N@H+](C[C@H]3CC[NH2+][C@H](C)C3)CCO2)ccc1F ZINC000414718550 428386304 /nfs/dbraw/zinc/38/63/04/428386304.db2.gz ZHNZEYMXQFILQK-VKJFTORMSA-N 2 0 306.425 2.896 20 0 DFADRP C[C@H](CCc1n[nH]c2ccccc21)[NH2+]CC[C@@H]1CCC[NH2+]C1 ZINC000414848733 428433938 /nfs/dbraw/zinc/43/39/38/428433938.db2.gz XDSOVDBAJUOZAV-CABCVRRESA-N 2 0 300.450 2.863 20 0 DFADRP Cc1ccc2ncc(CN3C[C@@H]4C[N@@H+]5CCCC[C@H]5[C@@H]4C3)n2c1 ZINC000360777131 428434248 /nfs/dbraw/zinc/43/42/48/428434248.db2.gz KBMCQDXXEXFVGA-NXHRZFHOSA-N 2 0 310.445 2.559 20 0 DFADRP C[C@@H]([NH2+]Cc1ccc(Br)s1)[C@@H]1CCC[NH2+]C1 ZINC000414858149 428434640 /nfs/dbraw/zinc/43/46/40/428434640.db2.gz RAIMWNPYHSLWQZ-NXEZZACHSA-N 2 0 303.269 2.988 20 0 DFADRP [NH3+]C[C@H](NC1CC[NH+](Cc2ccncc2)CC1)C1CCCCC1 ZINC000414856397 428435135 /nfs/dbraw/zinc/43/51/35/428435135.db2.gz YWBQJRZSUZHLOE-IBGZPJMESA-N 2 0 316.493 2.543 20 0 DFADRP CCOCc1cc(C[NH+]2CCC([C@@H](C)[NH3+])CC2)ccc1OC ZINC000347088487 428439152 /nfs/dbraw/zinc/43/91/52/428439152.db2.gz FDJVWDZFHNBYHA-CQSZACIVSA-N 2 0 306.450 2.791 20 0 DFADRP Cc1nc(COc2ccc(C[NH2+]C[C@H](C)C[NH3+])cc2)cs1 ZINC000414877878 428439951 /nfs/dbraw/zinc/43/99/51/428439951.db2.gz NMWRSMVAGYPGBZ-GFCCVEGCSA-N 2 0 305.447 2.715 20 0 DFADRP C[C@@H](C[NH3+])C[NH2+]Cc1cn(-c2ccccc2)nc1-c1ccncc1 ZINC000414876280 428440049 /nfs/dbraw/zinc/44/00/49/428440049.db2.gz LCEQDCWQNPVJHR-HNNXBMFYSA-N 2 0 321.428 2.619 20 0 DFADRP COc1ccc(CN2C[C@@H]3C[N@@H+]4CCCC[C@@H]4[C@H]3C2)cc1OC ZINC000360791966 428440264 /nfs/dbraw/zinc/44/02/64/428440264.db2.gz RGWIJKYZONTDPO-IXDOHACOSA-N 2 0 316.445 2.620 20 0 DFADRP [NH3+]C[C@@H]1CCC[N@H+](Cc2ccc(OCC(F)(F)F)cc2)C1 ZINC000347086923 428440315 /nfs/dbraw/zinc/44/03/15/428440315.db2.gz DBPZPOVSOHBRSZ-ZDUSSCGKSA-N 2 0 302.340 2.798 20 0 DFADRP CC[N@@H+]1CC[C@H](CN[C@@H](C)[C@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC000357225748 428442570 /nfs/dbraw/zinc/44/25/70/428442570.db2.gz BLKSBECMQJIWDK-SXLOBPIMSA-N 2 0 315.505 2.828 20 0 DFADRP C[C@@H]([NH2+]CCCN1CCC(O)CC1)C1CCC(F)(F)CC1 ZINC000353237724 428443468 /nfs/dbraw/zinc/44/34/68/428443468.db2.gz UIYLPWFVDIUFEZ-CYBMUJFWSA-N 2 0 304.425 2.637 20 0 DFADRP C[C@H]([NH2+]C[C@@H](O)C[NH+]1CCCCC1)C1CCC(F)(F)CC1 ZINC000353240109 428445783 /nfs/dbraw/zinc/44/57/83/428445783.db2.gz YBUAXFPXCXFXOD-DZGCQCFKSA-N 2 0 304.425 2.637 20 0 DFADRP CCCn1c2ccccc2nc1C[NH+]1CCC(C[NH2+]C)CC1 ZINC000347102217 428447907 /nfs/dbraw/zinc/44/79/07/428447907.db2.gz KGINHONPWGUWLQ-UHFFFAOYSA-N 2 0 300.450 2.878 20 0 DFADRP CC1(C[NH2+]Cc2cc(O)ccc2Br)CC[NH2+]CC1 ZINC000414897671 428448770 /nfs/dbraw/zinc/44/87/70/428448770.db2.gz FGDKXMBMSUOEOX-UHFFFAOYSA-N 2 0 313.239 2.634 20 0 DFADRP C[C@@H]1C[C@H](NCC[C@H]2CCC[NH2+]2)CC[N@@H+]1Cc1ccccc1 ZINC000414901342 428449055 /nfs/dbraw/zinc/44/90/55/428449055.db2.gz GDFARDSIEQYQPM-BHIYHBOVSA-N 2 0 301.478 2.771 20 0 DFADRP CC1(C[NH2+]Cc2cnn(Cc3ccc(F)cc3)c2)CC[NH2+]CC1 ZINC000414901308 428449409 /nfs/dbraw/zinc/44/94/09/428449409.db2.gz JNCHUWFYDMJRNV-UHFFFAOYSA-N 2 0 316.424 2.550 20 0 DFADRP [NH3+]C[C@@H]1CCC[N@H+](Cc2ccc(OCc3ccncc3)cc2)C1 ZINC000347109556 428449860 /nfs/dbraw/zinc/44/98/60/428449860.db2.gz NOSVBOMTKSKYED-SFHVURJKSA-N 2 0 311.429 2.831 20 0 DFADRP C[C@H]([NH2+][C@H]1CCc2n[nH]cc2C1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000357240508 428451331 /nfs/dbraw/zinc/45/13/31/428451331.db2.gz VHPRAQLQXCBYOH-IEZWGBDMSA-N 2 0 324.472 2.767 20 0 DFADRP C[C@H]([NH2+][C@H]1CCc2n[nH]cc2C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000357240511 428451705 /nfs/dbraw/zinc/45/17/05/428451705.db2.gz VHPRAQLQXCBYOH-WDYCEAGBSA-N 2 0 324.472 2.767 20 0 DFADRP Cc1ccccc1NC(=O)C[C@@H](C)[NH2+]C[C@@]1(C)CCC[NH2+]C1 ZINC000414904037 428452294 /nfs/dbraw/zinc/45/22/94/428452294.db2.gz JLQLXZHINLSDED-QAPCUYQASA-N 2 0 303.450 2.691 20 0 DFADRP CC(C)c1ccc(NC(=O)C[C@@H](C)[NH2+]C[C@@H]2CC[NH2+]C2)cc1 ZINC000414902851 428452445 /nfs/dbraw/zinc/45/24/45/428452445.db2.gz HTENBXDRVQCEDG-HUUCEWRRSA-N 2 0 303.450 2.726 20 0 DFADRP [NH3+]CCCC[NH2+]Cc1cn(-c2ccccc2)nc1-c1cccnc1 ZINC000414911898 428454920 /nfs/dbraw/zinc/45/49/20/428454920.db2.gz UDWFBJROIUVEIR-UHFFFAOYSA-N 2 0 321.428 2.763 20 0 DFADRP C[C@H]1[NH2+]CCC[C@@H]1C(=O)Nc1ccc(C[NH+]2CCCC2)cc1 ZINC000384238719 428456864 /nfs/dbraw/zinc/45/68/64/428456864.db2.gz ILHFJIVWOWJWQH-PBHICJAKSA-N 2 0 301.434 2.609 20 0 DFADRP c1nc([C@H]2CCCO2)sc1C[NH+]1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000347120317 428457066 /nfs/dbraw/zinc/45/70/66/428457066.db2.gz VQNUUMYEKVRFSK-HZPDHXFCSA-N 2 0 321.490 2.959 20 0 DFADRP C[C@H]1CC[NH2+]C[C@@H]1NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000414928179 428461246 /nfs/dbraw/zinc/46/12/46/428461246.db2.gz MPIAIXSJBFSYEG-VNVJMFPYSA-N 2 0 313.489 2.770 20 0 DFADRP Cc1ccc(NC(=O)C[C@H](C)[NH2+][C@@H]2CC[NH2+]C[C@@H]2C)c(Cl)c1 ZINC000414940899 428461963 /nfs/dbraw/zinc/46/19/63/428461963.db2.gz KZBQVRNORHGXJW-KCQAQPDRSA-N 2 0 323.868 2.953 20 0 DFADRP C[C@@H]([NH2+]CCN1CCC([NH+](C)C)CC1)C1CCC(F)(F)CC1 ZINC000353277933 428465155 /nfs/dbraw/zinc/46/51/55/428465155.db2.gz ORXNXCRWNBXWTO-CQSZACIVSA-N 2 0 317.468 2.816 20 0 DFADRP Cc1c([C@H](C)[NH2+]CCCC[NH+](C)C)nnn1-c1ccccc1 ZINC000360855722 428465753 /nfs/dbraw/zinc/46/57/53/428465753.db2.gz FXVSWTIWLSXMFG-AWEZNQCLSA-N 2 0 301.438 2.568 20 0 DFADRP C[C@H]([NH2+]CCCC[NH+](C)C)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000360861479 428466850 /nfs/dbraw/zinc/46/68/50/428466850.db2.gz SGQXCFRJXGUQTF-ZDUSSCGKSA-N 2 0 303.450 2.909 20 0 DFADRP C[C@H](CC(=O)Nc1cccc(Cl)c1)[NH2+][C@@H]1CC[NH2+]C[C@@H]1C ZINC000414948168 428468246 /nfs/dbraw/zinc/46/82/46/428468246.db2.gz XWLAGHSOEUHHKC-YWPYICTPSA-N 2 0 309.841 2.645 20 0 DFADRP [NH3+]C[C@H]1CCCC[C@@H]1[NH2+]Cc1cc(Cl)c2c(c1)OCCO2 ZINC000414804357 428415226 /nfs/dbraw/zinc/41/52/26/428415226.db2.gz OQZDHBOVQQFAIQ-OCCSQVGLSA-N 2 0 310.825 2.718 20 0 DFADRP COc1cccc(NC(=O)C[C@H](C)[NH2+][C@H]2CCCC[C@H]2C[NH3+])c1 ZINC000414796654 428415280 /nfs/dbraw/zinc/41/52/80/428415280.db2.gz HXHAVLAZYOYHSQ-ZQIUZPCESA-N 2 0 319.449 2.519 20 0 DFADRP COc1c(Br)cccc1C[NH2+][C@H]1CCC[C@H]1C[NH3+] ZINC000414801305 428415907 /nfs/dbraw/zinc/41/59/07/428415907.db2.gz LTZOJJFLEDDLOG-GWCFXTLKSA-N 2 0 313.239 2.675 20 0 DFADRP Cc1ccc(Cl)cc1NC(=O)C[C@H](C)[NH2+]C[C@H]([NH3+])C(C)C ZINC000414803376 428416170 /nfs/dbraw/zinc/41/61/70/428416170.db2.gz WQHCSAHJZLDGAN-JSGCOSHPSA-N 2 0 311.857 2.938 20 0 DFADRP COc1ccc(C[NH2+][C@@H]2CCC[C@H]2C[NH3+])cc1OC(F)F ZINC000414797787 428416188 /nfs/dbraw/zinc/41/61/88/428416188.db2.gz PNXNTRYXSRIDCH-NWDGAFQWSA-N 2 0 300.349 2.514 20 0 DFADRP COc1ccc(NC(=O)C[C@H](C)[NH2+][C@H]2CCCC[C@@H]2C[NH3+])cc1 ZINC000414799699 428416561 /nfs/dbraw/zinc/41/65/61/428416561.db2.gz KIPWAARHWRMLEL-VBQJREDUSA-N 2 0 319.449 2.519 20 0 DFADRP [NH3+]C[C@@H]1C[N@H+](Cc2cc3ccccc3o2)CC12CCOCC2 ZINC000414797857 428417091 /nfs/dbraw/zinc/41/70/91/428417091.db2.gz YXEZNMYPFQSYMQ-OAHLLOKOSA-N 2 0 300.402 2.620 20 0 DFADRP CCCC[C@H](C[NH3+])NCc1ccc(OC(F)F)c(OC)c1 ZINC000414818368 428420816 /nfs/dbraw/zinc/42/08/16/428420816.db2.gz VKRYUKUETKSFJH-GFCCVEGCSA-N 2 0 302.365 2.904 20 0 DFADRP C[C@@H]1C[N@H+](Cc2ccc(OCc3ccncc3)cc2)CC[C@@H]1[NH3+] ZINC000347043418 428421202 /nfs/dbraw/zinc/42/12/02/428421202.db2.gz MQYJLZKLULBQGT-BEFAXECRSA-N 2 0 311.429 2.830 20 0 DFADRP C[C@@H]([NH3+])CC[NH2+]Cc1cn(-c2ccccc2)nc1C(C)(C)C ZINC000414818656 428421251 /nfs/dbraw/zinc/42/12/51/428421251.db2.gz FQDLEJOTVFKBOK-CQSZACIVSA-N 2 0 300.450 2.997 20 0 DFADRP C[C@H]([NH3+])CC[NH2+]Cc1ccc(-n2ccc(C(F)(F)F)n2)cc1 ZINC000414817839 428421377 /nfs/dbraw/zinc/42/13/77/428421377.db2.gz BWSYBUGXMIFJKU-NSHDSACASA-N 2 0 312.339 2.718 20 0 DFADRP CCOc1c(OC)cc(C[NH2+][C@H]2CCCC[C@H]2C[NH3+])cc1OC ZINC000414813495 428422283 /nfs/dbraw/zinc/42/22/83/428422283.db2.gz YKHUSXFBSCDWJR-GJZGRUSLSA-N 2 0 322.449 2.710 20 0 DFADRP CCOC(=O)[C@H](CC)[N@H+](C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000378540901 428424525 /nfs/dbraw/zinc/42/45/25/428424525.db2.gz QZXKBEGGMUSTLM-KRWDZBQOSA-N 2 0 319.449 2.572 20 0 DFADRP C[C@H]([NH3+])CC[NH2+]Cc1cn(-c2ccccc2)nc1-c1ccncc1 ZINC000414826678 428425259 /nfs/dbraw/zinc/42/52/59/428425259.db2.gz WIBYHPMRIOPSTJ-HNNXBMFYSA-N 2 0 321.428 2.761 20 0 DFADRP COc1ccc2nc(C[NH2+]CC[C@H]3CCC[NH2+]C3)sc2c1 ZINC000414830814 428426655 /nfs/dbraw/zinc/42/66/55/428426655.db2.gz CLYCETJMOFSWCD-GFCCVEGCSA-N 2 0 305.447 2.784 20 0 DFADRP CC(C)C[C@@H](C[NH3+])NC1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000414832052 428427185 /nfs/dbraw/zinc/42/71/85/428427185.db2.gz DDIXITLEEMVGCH-IBGZPJMESA-N 2 0 321.484 2.796 20 0 DFADRP CCc1ccccc1NC(=O)C[C@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000414828749 428427958 /nfs/dbraw/zinc/42/79/58/428427958.db2.gz MOOMYAKRGLQUBC-JTUUTPGSSA-N 2 0 315.461 2.839 20 0 DFADRP Cc1nn(Cc2ccccc2)c(C)c1CN(C)C1CC[NH2+]CC1 ZINC000347058597 428428835 /nfs/dbraw/zinc/42/88/35/428428835.db2.gz WSDNDDBTLQBPIB-UHFFFAOYSA-N 2 0 312.461 2.732 20 0 DFADRP Cc1ccccc1NC(=O)C[C@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000414842009 428430753 /nfs/dbraw/zinc/43/07/53/428430753.db2.gz ZVPIVVXMDHCFLO-LSVZVQIISA-N 2 0 301.434 2.585 20 0 DFADRP C[C@H](CC(=O)Nc1cccc(Cl)c1)[NH2+]CC[C@H]1CC[NH2+]C1 ZINC000414839351 428431298 /nfs/dbraw/zinc/43/12/98/428431298.db2.gz WCFMXKPLYRANOH-CHWSQXEVSA-N 2 0 309.841 2.646 20 0 DFADRP Cc1ccccc1NC(=O)C[C@H](C)[NH2+]CC1([NH3+])CCCCC1 ZINC000414846495 428432003 /nfs/dbraw/zinc/43/20/03/428432003.db2.gz SSFPVJPALVTHIW-HNNXBMFYSA-N 2 0 303.450 2.963 20 0 DFADRP CCn1cc(CN2C[C@@H]3C[N@H+](C)[C@@H](c4ccccc4)[C@@H]3C2)cn1 ZINC000360776933 428432285 /nfs/dbraw/zinc/43/22/85/428432285.db2.gz ILQIUDOPRVLWRU-OTWHNJEPSA-N 2 0 310.445 2.638 20 0 DFADRP Cn1cc(C[NH2+]CC[C@H]2CCC[NH2+]C2)c(-c2cccs2)n1 ZINC000414854106 428432800 /nfs/dbraw/zinc/43/28/00/428432800.db2.gz TWZQCKBLTWDDSO-CYBMUJFWSA-N 2 0 304.463 2.628 20 0 DFADRP O=C(CC[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1)Nc1ccccc1F ZINC000391142000 428479286 /nfs/dbraw/zinc/47/92/86/428479286.db2.gz SIPOOOZTSWAMGL-GOEBONIOSA-N 2 0 319.424 2.618 20 0 DFADRP CC(C)C[C@@H](C)C[C@H](C)[NH2+][C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1 ZINC000414984060 428480069 /nfs/dbraw/zinc/48/00/69/428480069.db2.gz FSASJAIVMKPOGW-GFIVTLFCSA-N 2 0 323.525 2.684 20 0 DFADRP Fc1ccc(-c2n[nH]cc2C[NH2+]CCC[C@@H]2CCC[NH2+]2)cc1 ZINC000414982026 428480139 /nfs/dbraw/zinc/48/01/39/428480139.db2.gz YCQRTKTYMRPINX-MRXNPFEDSA-N 2 0 302.397 2.838 20 0 DFADRP COc1cccc(NC(=O)C[C@H](C)[NH2+]CCC[C@@H]2CCC[NH2+]2)c1 ZINC000414980428 428480189 /nfs/dbraw/zinc/48/01/89/428480189.db2.gz WUTVVRYXBWCLSK-LSDHHAIUSA-N 2 0 319.449 2.534 20 0 DFADRP C[N@H+]1CC=C(C[NH2+][C@@H]2CCC[C@@H]2CNC(=O)OC(C)(C)C)CC1 ZINC000392201802 428480341 /nfs/dbraw/zinc/48/03/41/428480341.db2.gz JOGUESHMPXDKFH-HZPDHXFCSA-N 2 0 323.481 2.531 20 0 DFADRP C[N@H+]1CC=C(C[NH2+][C@H]2CCCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC000392221473 428481081 /nfs/dbraw/zinc/48/10/81/428481081.db2.gz ZVFAEFDYTVFFML-INIZCTEOSA-N 2 0 323.481 2.628 20 0 DFADRP C[N@H+]1CC=C(C[NH2+][C@@H]2CCCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC000392221474 428481526 /nfs/dbraw/zinc/48/15/26/428481526.db2.gz ZVFAEFDYTVFFML-MRXNPFEDSA-N 2 0 323.481 2.628 20 0 DFADRP CC[C@H](C[C@@H](C)CC)[NH2+]C[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000414998240 428485692 /nfs/dbraw/zinc/48/56/92/428485692.db2.gz ZFMSBHZMHRCICZ-MJBXVCDLSA-N 2 0 309.420 2.627 20 0 DFADRP Cc1csc(N2CCC([NH2+]C[C@@H]3CCC[C@@H]([NH3+])C3)CC2)n1 ZINC000415001168 428486194 /nfs/dbraw/zinc/48/61/94/428486194.db2.gz KQJZGGXANKDQBI-ZIAGYGMSSA-N 2 0 308.495 2.527 20 0 DFADRP C[C@@H]([NH3+])[C@H]1CCC[N@H+](Cc2ccc(Oc3cnccn3)cc2)C1 ZINC000347186599 428486250 /nfs/dbraw/zinc/48/62/50/428486250.db2.gz BZKARRGQAMMGHG-ZBFHGGJFSA-N 2 0 312.417 2.828 20 0 DFADRP Brc1cc(C[NH2+][C@@H]2C[C@H]2C2CC[NH2+]CC2)cs1 ZINC000415010309 428487241 /nfs/dbraw/zinc/48/72/41/428487241.db2.gz OXPHEKCCZJYNGJ-NWDGAFQWSA-N 2 0 315.280 2.988 20 0 DFADRP COc1ccc(CC[C@H](C)[NH2+][C@@H]2C[C@H]2C2CC[NH2+]CC2)cc1O ZINC000415006171 428489077 /nfs/dbraw/zinc/48/90/77/428489077.db2.gz KBKOMUMLAFZOPS-RRQGHBQHSA-N 2 0 318.461 2.700 20 0 DFADRP C[C@@H](CC(=O)Nc1ccc(F)cc1)[NH2+]C[C@H]1CC[C@H](C[NH3+])CC1 ZINC000415023767 428491763 /nfs/dbraw/zinc/49/17/63/428491763.db2.gz LYMLWYHDCKAZND-KKUMJFAQSA-N 2 0 321.440 2.898 20 0 DFADRP [NH3+]C[C@@H]1CC[C@H]([NH2+]Cc2ccc(F)c(Br)c2)C1 ZINC000415028076 428492996 /nfs/dbraw/zinc/49/29/96/428492996.db2.gz CDSWMUSUTOVECT-KOLCDFICSA-N 2 0 301.203 2.805 20 0 DFADRP C[C@@H]1C[C@H]([NH2+][C@H]2CC[C@H](C[NH3+])C2)CCN1Cc1ccccc1 ZINC000415027736 428493153 /nfs/dbraw/zinc/49/31/53/428493153.db2.gz BKTHBBPWOZADAF-XGXHKWSGSA-N 2 0 301.478 2.757 20 0 DFADRP C[N@H+](CCOCC(F)F)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000372722464 428493356 /nfs/dbraw/zinc/49/33/56/428493356.db2.gz FZMMDFKFLBQEDD-UHFFFAOYSA-N 2 0 313.392 2.512 20 0 DFADRP CC(C)C[C@@H]([NH2+][C@H](C)c1ccccc1F)C(=O)NCC[NH+](C)C ZINC000347204948 428494575 /nfs/dbraw/zinc/49/45/75/428494575.db2.gz QHRCBQIUSOABDD-RHSMWYFYSA-N 2 0 323.456 2.569 20 0 DFADRP COc1ccc(-c2n[nH]cc2C[N@@H+]2CCC[C@@H]([C@H](C)[NH3+])C2)cc1 ZINC000347216022 428495116 /nfs/dbraw/zinc/49/51/16/428495116.db2.gz QZMNMILKIFAWRV-DZGCQCFKSA-N 2 0 314.433 2.645 20 0 DFADRP Cc1cccc([C@H](C)[NH2+][C@H](CC(C)C)C(=O)NCC[NH+](C)C)c1 ZINC000347215045 428495716 /nfs/dbraw/zinc/49/57/16/428495716.db2.gz XZGSVVSNUNCRET-FUHWJXTLSA-N 2 0 319.493 2.738 20 0 DFADRP CCOc1cc(C[NH2+][C@H]2CC[C@H](C[NH3+])C2)cc(Cl)c1OC ZINC000415034235 428496466 /nfs/dbraw/zinc/49/64/66/428496466.db2.gz JTLHZELSKFQOSW-AAEUAGOBSA-N 2 0 312.841 2.964 20 0 DFADRP COc1ccc(C[NH2+][C@H]2CC[C@@H](C[NH3+])C2)cc1OC(F)F ZINC000415034217 428496642 /nfs/dbraw/zinc/49/66/42/428496642.db2.gz JQMQZOYOUZQKES-PWSUYJOCSA-N 2 0 300.349 2.514 20 0 DFADRP C[C@@H]1C[N@H+](C)CC[C@@H]1NCC1([NH+](C)Cc2ccccc2)CCC1 ZINC000395368817 428496664 /nfs/dbraw/zinc/49/66/64/428496664.db2.gz OBZAYSHSELGOCX-MJGOQNOKSA-N 2 0 315.505 2.971 20 0 DFADRP C[N@H+](Cc1ccccc1)CC(C)(C)C[NH2+][C@@H]1CC[C@H](C[NH3+])C1 ZINC000415045966 428497212 /nfs/dbraw/zinc/49/72/12/428497212.db2.gz URSOSPNTVWTUSR-ZWKOTPCHSA-N 3 0 303.494 2.862 20 0 DFADRP Clc1ccccc1[C@@H]1CCC[C@H]1[NH2+]C[C@@H]1C[NH2+]CCCO1 ZINC000415046233 428497948 /nfs/dbraw/zinc/49/79/48/428497948.db2.gz URUQTFAHDAYJMG-JLJPHGGASA-N 2 0 308.853 2.944 20 0 DFADRP Cc1ccccc1[C@H](C)[NH2+][C@@H](CC(C)C)C(=O)NCC[NH+](C)C ZINC000347219923 428498383 /nfs/dbraw/zinc/49/83/83/428498383.db2.gz DASUDVCTVZAYOC-WMZOPIPTSA-N 2 0 319.493 2.738 20 0 DFADRP COc1cc(C)c(C[N@@H+]2CCCC[C@H]2[C@H]2CC[NH2+]C2)cc1OC ZINC000415052256 428500028 /nfs/dbraw/zinc/50/00/28/428500028.db2.gz MZLMFEOIIJBLAL-RDJZCZTQSA-N 2 0 318.461 2.976 20 0 DFADRP CCOc1ccc(C[N@@H+]2C[C@@H](C)[C@](C)(C[NH3+])C2)cc1OCC ZINC000415052027 428500482 /nfs/dbraw/zinc/50/04/82/428500482.db2.gz GRWLNWXDVJSHFY-RDTXWAMCSA-N 2 0 306.450 2.901 20 0 DFADRP Clc1ccccc1C[NH2+]C1CCC(N2CC[NH2+]CC2)CC1 ZINC000415053834 428500593 /nfs/dbraw/zinc/50/05/93/428500593.db2.gz MXGQADQOIISDQZ-UHFFFAOYSA-N 2 0 307.869 2.646 20 0 DFADRP CCOCc1cc(C[NH+]2CCC(C[NH2+]C)CC2)ccc1OC ZINC000347230965 428503221 /nfs/dbraw/zinc/50/32/21/428503221.db2.gz XYFWYWRPPIVKFT-UHFFFAOYSA-N 2 0 306.450 2.663 20 0 DFADRP c1cc(N2CCCC2)ncc1C[N@@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000415055015 428504913 /nfs/dbraw/zinc/50/49/13/428504913.db2.gz QOWKQCHZRFVACH-ZWKOTPCHSA-N 2 0 314.477 2.646 20 0 DFADRP COc1cc(C[NH2+][C@H](C)CCCC[NH3+])ccc1OC(F)F ZINC000415063141 428506359 /nfs/dbraw/zinc/50/63/59/428506359.db2.gz OBAKJZNXCUHYNA-LLVKDONJSA-N 2 0 302.365 2.904 20 0 DFADRP C[C@H](C[NH2+]C1CCC([NH+]2CCNCC2)CC1)c1ccccc1 ZINC000415060361 428507344 /nfs/dbraw/zinc/50/73/44/428507344.db2.gz WMLUDOGJXUTPRC-IPJUCJBFSA-N 2 0 301.478 2.596 20 0 DFADRP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1NCC(=O)Nc1nccs1 ZINC000360955087 428508112 /nfs/dbraw/zinc/50/81/12/428508112.db2.gz AZNHYDDVZFGARG-KBPBESRZSA-N 2 0 324.494 2.572 20 0 DFADRP CC[NH+](CC)C[C@H]1CCCC[C@@H]1[NH2+]CCCc1nc(C)no1 ZINC000360957742 428510014 /nfs/dbraw/zinc/51/00/14/428510014.db2.gz MOJHKUSFTMHVQF-CVEARBPZSA-N 2 0 308.470 2.801 20 0 DFADRP C[N@H+](CCN[C@H]1CC[NH2+][C@H](c2ccccc2)C1)C1CCCC1 ZINC000415079783 428512412 /nfs/dbraw/zinc/51/24/12/428512412.db2.gz KPDWHCUJOMGHEL-HKUYNNGSSA-N 2 0 301.478 2.944 20 0 DFADRP C[C@H](CC1CC1)[NH2+]CC1(N)CC[NH+](Cc2ccccc2)CC1 ZINC000415132323 428531715 /nfs/dbraw/zinc/53/17/15/428531715.db2.gz KWYDWYOQJFLABT-MRXNPFEDSA-N 2 0 301.478 2.758 20 0 DFADRP CC(C)(C)[C@H]([NH2+]C[C@@H]1CCCN(C(=O)C[NH3+])C1)c1ccccc1 ZINC000415082776 428513352 /nfs/dbraw/zinc/51/33/52/428513352.db2.gz MCCZQNMSMPKDGY-MAUKXSAKSA-N 2 0 317.477 2.561 20 0 DFADRP CC[N@@H+]1CC[C@H](N[C@@H]2CC[NH+](Cc3ccccc3)C[C@H]2C)C1 ZINC000398011188 428513867 /nfs/dbraw/zinc/51/38/67/428513867.db2.gz DBFLUAPPVXKBDN-NZSAHSFTSA-N 2 0 301.478 2.581 20 0 DFADRP COc1ccc(F)cc1C[NH2+]CCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000360964244 428514006 /nfs/dbraw/zinc/51/40/06/428514006.db2.gz OQUPNOJOPNJXGK-GASCZTMLSA-N 2 0 324.440 2.813 20 0 DFADRP C[C@@H]([NH2+]C1CC[NH2+]CC1)[C@H](OC1CCOCC1)c1ccccc1 ZINC000415087820 428516348 /nfs/dbraw/zinc/51/63/48/428516348.db2.gz VASUIDILOVZOHE-BEFAXECRSA-N 2 0 318.461 2.653 20 0 DFADRP C[C@H]([NH2+]C1CCC([NH3+])CC1)c1cccc(N2CCCC2=O)c1 ZINC000415087133 428516637 /nfs/dbraw/zinc/51/66/37/428516637.db2.gz UBKFUJYEBTYYBR-JEYLPNPQSA-N 2 0 301.434 2.734 20 0 DFADRP C[C@@H]([NH2+]C1CCC([NH3+])CC1)c1nc(-c2cccc(F)c2)no1 ZINC000415112717 428523129 /nfs/dbraw/zinc/52/31/29/428523129.db2.gz VVNBKGAZPZCSEX-GWMXKSKGSA-N 2 0 304.369 2.796 20 0 DFADRP COc1cccc(OCCC[NH2+][C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)c1 ZINC000415115234 428524073 /nfs/dbraw/zinc/52/40/73/428524073.db2.gz GRMJNJRIXBWYMP-GUDVDZBRSA-N 2 0 318.461 2.974 20 0 DFADRP CCCCCOc1ccc(CN2CCCO[C@@H](C[NH3+])C2)cc1 ZINC000415113984 428524377 /nfs/dbraw/zinc/52/43/77/428524377.db2.gz SHZZYYIUPNXMHX-SFHVURJKSA-N 2 0 306.450 2.805 20 0 DFADRP [NH3+]C[C@H]1CN(Cc2cccc(OC3CCCC3)c2)CCCO1 ZINC000415118528 428526449 /nfs/dbraw/zinc/52/64/49/428526449.db2.gz YJEPRZXSHDDBHW-SFHVURJKSA-N 2 0 304.434 2.558 20 0 DFADRP [NH3+]C[C@@H]1CN(Cc2cc(-c3ccccc3)cs2)CCCO1 ZINC000415118485 428527720 /nfs/dbraw/zinc/52/77/20/428527720.db2.gz YHLPQWAKLGXNGM-MRXNPFEDSA-N 2 0 302.443 2.965 20 0 DFADRP C[C@H](N[C@H]1CC[C@@H](C)[NH2+]C1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000399004828 428532165 /nfs/dbraw/zinc/53/21/65/428532165.db2.gz WUTAYZIQZWRNAH-NEPXVJNWSA-N 2 0 301.478 2.627 20 0 DFADRP C[C@@H](CC1CCCCC1)C[N@@H+]1CCC[C@@H](n2cc(C[NH3+])nn2)C1 ZINC000415127440 428530216 /nfs/dbraw/zinc/53/02/16/428530216.db2.gz NBUDIAZJPDGXGF-MAUKXSAKSA-N 2 0 319.497 2.980 20 0 DFADRP C[C@H]1C[N@H+](C)C[C@H]1Nc1cccc(C[NH+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000342847431 428473548 /nfs/dbraw/zinc/47/35/48/428473548.db2.gz BSEQTKXUKFOTRS-YIOZNXECSA-N 2 0 317.477 2.658 20 0 DFADRP C[NH2+][C@H](CC(C)(C)C)C(=O)NC[C@@H](C)[N@H+](C)Cc1ccccc1 ZINC000390749341 428474270 /nfs/dbraw/zinc/47/42/70/428474270.db2.gz RPYJJUTWKGFSOZ-NVXWUHKLSA-N 2 0 319.493 2.647 20 0 DFADRP COC(=O)c1ccc(Cl)c(C[NH2+]CCC[C@@H]2CCC[NH2+]2)c1 ZINC000414964187 428474636 /nfs/dbraw/zinc/47/46/36/428474636.db2.gz LXWXRVROOYMSCK-CQSZACIVSA-N 2 0 310.825 2.748 20 0 DFADRP CC[C@H]([NH3+])CNC(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC000414965760 428475605 /nfs/dbraw/zinc/47/56/05/428475605.db2.gz NSSAVUWXKMFZMB-INIZCTEOSA-N 2 0 318.465 2.574 20 0 DFADRP CN1CC[NH2+]C[C@@H]1CNCc1ccc(-c2ccccc2F)s1 ZINC000414973171 428476713 /nfs/dbraw/zinc/47/67/13/428476713.db2.gz YYSMCPKJKMAECP-CYBMUJFWSA-N 2 0 319.449 2.547 20 0 DFADRP COCC1(C[NH2+][C@@H](C)CCc2cccc(F)c2)CC[NH2+]CC1 ZINC000414968318 428478496 /nfs/dbraw/zinc/47/84/96/428478496.db2.gz FDEKDAVQQZLIGO-HNNXBMFYSA-N 2 0 308.441 2.753 20 0 DFADRP c1cn(-c2ccc(C[N@@H+]3CCC[C@@H]([C@H]4CCC[NH2+]4)C3)cc2)cn1 ZINC000391007028 428478967 /nfs/dbraw/zinc/47/89/67/428478967.db2.gz IJGIVKUIQSABGI-IEBWSBKVSA-N 2 0 310.445 2.836 20 0 DFADRP CC[C@H]([NH2+]C[C@@H]1CCC[N@@H+](C(C)C)C1)C1(C(=O)OC)CCC1 ZINC000353542948 428585721 /nfs/dbraw/zinc/58/57/21/428585721.db2.gz NXLZRJDDIVEDEA-HOTGVXAUSA-N 2 0 310.482 2.818 20 0 DFADRP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+]1CCSCC[C@H]1C ZINC000361648215 428586331 /nfs/dbraw/zinc/58/63/31/428586331.db2.gz PEKDICHIYUYPDZ-CYBMUJFWSA-N 2 0 302.447 2.903 20 0 DFADRP CC[NH+](CC)CCOC1CC[NH+](CC[C@H]2CCCCO2)CC1 ZINC000347496626 428590878 /nfs/dbraw/zinc/59/08/78/428590878.db2.gz ZSNPAJFDSBOFLQ-QGZVFWFLSA-N 2 0 312.498 2.768 20 0 DFADRP [NH3+][C@@H]1CCO[C@H](C2CC[NH+](Cc3cccc(F)c3F)CC2)C1 ZINC000415128944 428532511 /nfs/dbraw/zinc/53/25/11/428532511.db2.gz SWBPUYPGQJOVEI-ZBFHGGJFSA-N 2 0 310.388 2.683 20 0 DFADRP C[C@@H](N[C@H]1CC[C@@H](C)[NH2+]C1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000399004825 428532950 /nfs/dbraw/zinc/53/29/50/428532950.db2.gz WUTAYZIQZWRNAH-FPAYPSAMSA-N 2 0 301.478 2.627 20 0 DFADRP CCC[C@H]([NH2+]C(C)C)C(=O)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000353436842 428533448 /nfs/dbraw/zinc/53/34/48/428533448.db2.gz ACEPFOFPVKFAOJ-SJORKVTESA-N 2 0 309.498 2.630 20 0 DFADRP C[NH+]1CCN(CCC[NH2+][C@H]2C[C@@H](c3ccccc3)C2(C)C)CC1 ZINC000122807783 273897240 /nfs/dbraw/zinc/89/72/40/273897240.db2.gz HYXSKOZYVLTGJB-OALUTQOASA-N 2 0 315.505 2.796 20 0 DFADRP CC[C@@](C[NH2+]C1CCC(C[NH3+])CC1)(C(=O)OC)c1ccccc1 ZINC000415135639 428534240 /nfs/dbraw/zinc/53/42/40/428534240.db2.gz GMSSWFSYPMNJKT-KVWWFHCMSA-N 2 0 318.461 2.615 20 0 DFADRP CCc1ccc(C[NH+]2CCC([C@@H]3OCCC[C@@H]3[NH3+])CC2)cc1 ZINC000415139415 428534387 /nfs/dbraw/zinc/53/43/87/428534387.db2.gz ZQJIREZIGSCFBR-OALUTQOASA-N 2 0 302.462 2.967 20 0 DFADRP C[N@@H+]1CCC[C@@H]1CC[NH+]1CCC(O)(Cc2ccccc2F)CC1 ZINC000373285048 428539177 /nfs/dbraw/zinc/53/91/77/428539177.db2.gz NHTUEYCIHINZKD-QGZVFWFLSA-N 2 0 320.452 2.679 20 0 DFADRP CO[C@H](C[NH2+]C[C@@H]1CCC[N@H+](Cc2ccccc2)C1)C1CC1 ZINC000400169991 428543025 /nfs/dbraw/zinc/54/30/25/428543025.db2.gz KDHZROAOKIKLHH-PKOBYXMFSA-N 2 0 302.462 2.913 20 0 DFADRP CO[C@H](C[N@@H+]1C[C@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1)C1CC1 ZINC000400156951 428543151 /nfs/dbraw/zinc/54/31/51/428543151.db2.gz FARAHDGFQSSZAQ-HSALFYBXSA-N 2 0 314.473 2.865 20 0 DFADRP C[C@H]([NH2+]CCc1ccc(Br)s1)[C@@H]1CC[NH2+]C1 ZINC000400360521 428543446 /nfs/dbraw/zinc/54/34/46/428543446.db2.gz NLNRRQUURLLENQ-VHSXEESVSA-N 2 0 303.269 2.641 20 0 DFADRP C[C@@H](N[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C)[C@@H]1CCC[NH2+]1 ZINC000400323540 428544776 /nfs/dbraw/zinc/54/47/76/428544776.db2.gz APYVSWHYAPMFDO-FPAYPSAMSA-N 2 0 301.478 2.627 20 0 DFADRP C[N@H+](CCCN[C@@H]1CC[NH+](C)[C@H]2CCC[C@H]21)Cc1ccccc1 ZINC000353456687 428546361 /nfs/dbraw/zinc/54/63/61/428546361.db2.gz WFTAPSKLBFCPSO-ZCNNSNEGSA-N 3 0 315.505 2.971 20 0 DFADRP C[C@H]([NH2+]CC1=CC[N@H+](C)CC1)[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000400449037 428546896 /nfs/dbraw/zinc/54/68/96/428546896.db2.gz OFKKIHMHFFMLPG-GOEBONIOSA-N 2 0 323.481 2.626 20 0 DFADRP CC[NH+](CC)CCO[C@H]1CC[N@H+](Cc2cc(F)ccc2OC)C1 ZINC000361191427 428547069 /nfs/dbraw/zinc/54/70/69/428547069.db2.gz SHNCTWACFUIZGN-KRWDZBQOSA-N 2 0 324.440 2.767 20 0 DFADRP c1ccc([C@H](C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)N2CCCC2)cc1 ZINC000401003919 428550575 /nfs/dbraw/zinc/55/05/75/428550575.db2.gz CQFWAFUVICLBIQ-HAGHYFMRSA-N 2 0 313.489 2.801 20 0 DFADRP c1ccc([C@H](C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)N2CCCC2)cc1 ZINC000401003924 428550733 /nfs/dbraw/zinc/55/07/33/428550733.db2.gz CQFWAFUVICLBIQ-NMLBUPMWSA-N 2 0 313.489 2.801 20 0 DFADRP Brc1csc(C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)c1 ZINC000400999663 428551207 /nfs/dbraw/zinc/55/12/07/428551207.db2.gz GGUQHBCLKIDRLW-HOSYDEDBSA-N 2 0 315.280 2.988 20 0 DFADRP Brc1cc(C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)cs1 ZINC000401061346 428552053 /nfs/dbraw/zinc/55/20/53/428552053.db2.gz XHEKDTCUQDPLPX-QJPTWQEYSA-N 2 0 315.280 2.988 20 0 DFADRP C[C@@H](c1cnccn1)[NH+]1CCC2(C[C@H]2C[N@H+](C)C2CC2)CC1 ZINC000373352341 428553398 /nfs/dbraw/zinc/55/33/98/428553398.db2.gz DVHHIXIMXIPERB-GJZGRUSLSA-N 2 0 300.450 2.734 20 0 DFADRP C[N@@H+]1CC[C@H]([NH2+]Cc2ccccc2-n2ccnc2)[C@H]2CCC[C@@H]21 ZINC000353494657 428563811 /nfs/dbraw/zinc/56/38/11/428563811.db2.gz DIIXSUGJCOKNNL-AOIWGVFYSA-N 2 0 310.445 2.835 20 0 DFADRP CC(C)C[N@@H+]1CCCN(C(=O)c2ccc(C[NH+](C)C)cc2)CC1 ZINC000361476436 428571656 /nfs/dbraw/zinc/57/16/56/428571656.db2.gz BWPAMMWFUDIYPD-UHFFFAOYSA-N 2 0 317.477 2.552 20 0 DFADRP C[N@@H+]1CC[C@H](NC2CC[NH+](C3CCCC3)CC2)[C@H]2CCC[C@H]21 ZINC000353514225 428573344 /nfs/dbraw/zinc/57/33/44/428573344.db2.gz BUDRJFKUCWOIJU-CEXWTWQISA-N 3 0 305.510 2.856 20 0 DFADRP C[C@@H]1C[N@H+](C[C@H](O)[C@@H]([NH3+])Cc2ccccc2)CCc2ccccc21 ZINC000404992251 428574723 /nfs/dbraw/zinc/57/47/23/428574723.db2.gz GLQNUNRHKRYOKK-CZAAIQMYSA-N 2 0 324.468 2.579 20 0 DFADRP C[C@H]1CCC[N@H+](Cc2cnn(Cc3ccccc3)c2)[C@H]1CC[NH3+] ZINC000405216416 428576343 /nfs/dbraw/zinc/57/63/43/428576343.db2.gz KGRJPTOSJOTTGW-LPHOPBHVSA-N 2 0 312.461 2.881 20 0 DFADRP COc1c(C)cc(C[NH+]2CCC(OCC[NH+](C)C)CC2)cc1C ZINC000353527290 428579008 /nfs/dbraw/zinc/57/90/08/428579008.db2.gz CEUGQJDWDUDENQ-UHFFFAOYSA-N 2 0 320.477 2.855 20 0 DFADRP C[NH+](C)CCOC1CC[NH+](CC2=Cc3ccccc3OC2)CC1 ZINC000353571903 428599682 /nfs/dbraw/zinc/59/96/82/428599682.db2.gz IZTGWOUVBNUZBZ-UHFFFAOYSA-N 2 0 316.445 2.505 20 0 DFADRP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)C1(C[NH+](C)C)CCCCC1 ZINC000358705425 428634182 /nfs/dbraw/zinc/63/41/82/428634182.db2.gz MFZJSFBRVPMQGE-SJORKVTESA-N 2 0 323.525 2.735 20 0 DFADRP C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC1CC[NH+](C2CCCCC2)CC1 ZINC000361973955 428606494 /nfs/dbraw/zinc/60/64/94/428606494.db2.gz ZSPDAIPPYUHSOR-HNAYVOBHSA-N 2 0 305.510 2.856 20 0 DFADRP CCCCN(CC)C(=O)C[NH+]1CCC(CCC[NH+](C)C)CC1 ZINC000347573300 428606786 /nfs/dbraw/zinc/60/67/86/428606786.db2.gz UMVAYALNVHGBRM-UHFFFAOYSA-N 2 0 311.514 2.689 20 0 DFADRP CC(C)C[C@@H](C[NH+](C)C)NC(=O)C1(C[NH+](C)C)CCCCC1 ZINC000358595287 428609494 /nfs/dbraw/zinc/60/94/94/428609494.db2.gz LVDQVJMCAYIORK-INIZCTEOSA-N 2 0 311.514 2.591 20 0 DFADRP CN(CCC[N@H+](C)CCc1ccccc1Cl)CC[NH+](C)C ZINC000344031149 428612785 /nfs/dbraw/zinc/61/27/85/428612785.db2.gz PIGBZLSXFZTSPM-UHFFFAOYSA-N 2 0 311.901 2.698 20 0 DFADRP C[C@@H]1CCC[C@H]([NH2+]Cc2ccncc2OCC[NH+](C)C)[C@H]1C ZINC000344042256 428616484 /nfs/dbraw/zinc/61/64/84/428616484.db2.gz JVVITUHFQGBCSA-VYDXJSESSA-N 2 0 305.466 2.936 20 0 DFADRP C[C@H](c1cc(F)ccc1F)[N@H+](C)CCCN(C)CC[NH+](C)C ZINC000344039129 428618633 /nfs/dbraw/zinc/61/86/33/428618633.db2.gz TYBIQJDLNSDUIQ-CQSZACIVSA-N 2 0 313.436 2.841 20 0 DFADRP O[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+][C@H]2CCC[C@@H]2CCF)CC1 ZINC000353611716 428621399 /nfs/dbraw/zinc/62/13/99/428621399.db2.gz FAKRDBCUZVVCKR-LAVFITLUSA-N 2 0 312.473 2.872 20 0 DFADRP CCC[N@H+](CC)CCNC(=O)Nc1cccc(C[NH2+]CC)c1 ZINC000415910674 428623862 /nfs/dbraw/zinc/62/38/62/428623862.db2.gz WCUMFOLQJKUMQY-UHFFFAOYSA-N 2 0 306.454 2.650 20 0 DFADRP CCO[C@@H]1C[C@@H]([NH2+][C@H]2CCc3nc[nH]c3C2)C12CCCCC2 ZINC000353615665 428624106 /nfs/dbraw/zinc/62/41/06/428624106.db2.gz ZFQZBQZSKGKKAA-IAOVAPTHSA-N 2 0 303.450 2.985 20 0 DFADRP C[NH2+]Cc1ccccc1NC(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000415913110 428624462 /nfs/dbraw/zinc/62/44/62/428624462.db2.gz OXBTWSUCVDKGBE-UHFFFAOYSA-N 2 0 318.465 2.648 20 0 DFADRP CC[NH2+]Cc1cccc(NC(=O)NCC[C@H]2CCC[N@H+](C)C2)c1 ZINC000415912139 428624537 /nfs/dbraw/zinc/62/45/37/428624537.db2.gz BFKJTKLRHAENMT-OAHLLOKOSA-N 2 0 318.465 2.650 20 0 DFADRP CC(C)C[N@@H+]1CCC[C@H](C[NH2+][C@@H]2[C@H]3CCO[C@@H]3C23CCC3)C1 ZINC000344302005 428628207 /nfs/dbraw/zinc/62/82/07/428628207.db2.gz VKJGFHHWQLKSBM-TVFCKZIOSA-N 2 0 306.494 2.902 20 0 DFADRP CC[NH+](CC)Cc1ccc(C(=O)N2C[C@@H](C)[NH+](C)[C@H](C)C2)cc1 ZINC000358689127 428629160 /nfs/dbraw/zinc/62/91/60/428629160.db2.gz VFMPCCOUCDXJSM-HZPDHXFCSA-N 2 0 317.477 2.693 20 0 DFADRP C[NH2+]Cc1cccc(NC(=O)NCC[N@H+](C)C2CCCCC2)c1 ZINC000415925291 428629676 /nfs/dbraw/zinc/62/96/76/428629676.db2.gz ABZPBDIXVYMJRB-UHFFFAOYSA-N 2 0 318.465 2.792 20 0 DFADRP CCCN(CC[NH+]1CCCC1)C(=O)Nc1cccc(C[NH2+]C)c1 ZINC000415937599 428631243 /nfs/dbraw/zinc/63/12/43/428631243.db2.gz XYOBYPZTHOVTLH-UHFFFAOYSA-N 2 0 318.465 2.746 20 0 DFADRP CC[NH2+]Cc1cccc(NC(=O)NCCCn2ccnc2C)c1 ZINC000415934001 428631435 /nfs/dbraw/zinc/63/14/35/428631435.db2.gz PGOYQHYXPAAZSN-UHFFFAOYSA-N 2 0 315.421 2.513 20 0 DFADRP CCCCn1cc(C[NH2+][C@@H]2CC[N@H+](C)[C@H]3CCC[C@@H]32)c(C)n1 ZINC000353628789 428631511 /nfs/dbraw/zinc/63/15/11/428631511.db2.gz BWAZIROJPFGQDL-KURKYZTESA-N 2 0 304.482 2.954 20 0 DFADRP CCN(CCC[NH+]1CCCC1)C(=O)Nc1cccc(C[NH2+]C)c1 ZINC000415960167 428634862 /nfs/dbraw/zinc/63/48/62/428634862.db2.gz NRXNWBRFRADXDV-UHFFFAOYSA-N 2 0 318.465 2.746 20 0 DFADRP CC[N@@H+]1CC[C@@H](N(C)C(=O)Nc2cccc(C[NH2+]C)c2)[C@@H](C)C1 ZINC000415947647 428632256 /nfs/dbraw/zinc/63/22/56/428632256.db2.gz WYSLSAKGQOGNDB-WMLDXEAASA-N 2 0 318.465 2.600 20 0 DFADRP C[N@@H+]1CC[C@@H](NC(=O)Nc2ccc(C[NH3+])cc2)[C@H]1c1ccccc1 ZINC000415965255 428637922 /nfs/dbraw/zinc/63/79/22/428637922.db2.gz XTASWUGMLMZVLH-QZTJIDSGSA-N 2 0 324.428 2.712 20 0 DFADRP C[N@H+](CCCNC(=O)Nc1ccc(C[NH3+])cc1)C1CCCCC1 ZINC000415977698 428639500 /nfs/dbraw/zinc/63/95/00/428639500.db2.gz OHTOFKPEGYLFCM-UHFFFAOYSA-N 2 0 318.465 2.921 20 0 DFADRP COCC[C@H](COC)[NH2+]C1CC[NH+]([C@H]2CCC[C@@H](C)C2)CC1 ZINC000353649781 428639501 /nfs/dbraw/zinc/63/95/01/428639501.db2.gz ORFOPARTUMYOND-NXHRZFHOSA-N 2 0 312.498 2.671 20 0 DFADRP CC1CC[NH+](CCCCNC(=O)Nc2ccc(C[NH3+])cc2)CC1 ZINC000415978459 428640257 /nfs/dbraw/zinc/64/02/57/428640257.db2.gz PGGQJDSNIZRGHG-UHFFFAOYSA-N 2 0 318.465 2.779 20 0 DFADRP CCCC[NH+]1CCC(NC(=O)Nc2ccc(C[NH3+])cc2)CC1 ZINC000415982707 428641268 /nfs/dbraw/zinc/64/12/68/428641268.db2.gz XSXZXFKIPPVGIC-UHFFFAOYSA-N 2 0 304.438 2.531 20 0 DFADRP C[NH+](C)C[C@H](NC(=O)Nc1ccc(C[NH3+])cc1)c1ccccc1 ZINC000415960363 428635034 /nfs/dbraw/zinc/63/50/34/428635034.db2.gz QCKDMZSVFVRFIN-KRWDZBQOSA-N 2 0 312.417 2.570 20 0 DFADRP CC[N@H+](CCC1CC[NH+](CCC(=O)N(C)C)CC1)CC(C)C ZINC000358739043 428651073 /nfs/dbraw/zinc/65/10/73/428651073.db2.gz DUHPUFXRNUJHBM-UHFFFAOYSA-N 2 0 311.514 2.545 20 0 DFADRP C[C@@H](C(=O)N[C@@H](C)C[N@@H+]1CCC[C@@H](C)C1)[C@H]([NH3+])c1ccccc1 ZINC000263280023 274200172 /nfs/dbraw/zinc/20/01/72/274200172.db2.gz RPOAMUVPMFDQKO-HPFXQQBRSA-N 2 0 317.477 2.559 20 0 DFADRP C(N[C@H]1CC[N@@H+]2CCC[C@@H]2C1)[C@H]1CCC[NH+]1C1CCCCC1 ZINC000373904153 428654338 /nfs/dbraw/zinc/65/43/38/428654338.db2.gz NNGQFUGPOITXJC-QXAKKESOSA-N 2 0 305.510 3.000 20 0 DFADRP C[NH+]1CCC(CC[NH2+][C@H](c2ccccc2)c2ccncn2)CC1 ZINC000358750021 428656350 /nfs/dbraw/zinc/65/63/50/428656350.db2.gz LKVGITQQBMEZMG-LJQANCHMSA-N 2 0 310.445 2.888 20 0 DFADRP CO[C@@]1(C)CCC[NH+](CC(C)C[N@H+]2CCC[C@](C)(OC)C2)C1 ZINC000348230556 428668446 /nfs/dbraw/zinc/66/84/46/428668446.db2.gz HAOZMGHXOLHDOJ-ROUUACIJSA-N 2 0 312.498 2.624 20 0 DFADRP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]C[C@@H]1CCN(c2ccc(F)cc2)C1 ZINC000360575477 274335297 /nfs/dbraw/zinc/33/52/97/274335297.db2.gz YBSXRQJSDVCFQR-RVKKMQEKSA-N 2 0 305.441 2.582 20 0 DFADRP CC(C)[N@@H+]1CC[C@H](N(C)C(=O)C[C@H](c2ccccc2)[NH+](C)C)C1 ZINC000416241674 428698371 /nfs/dbraw/zinc/69/83/71/428698371.db2.gz DLSKDTMNXUUNJY-ZWKOTPCHSA-N 2 0 317.477 2.621 20 0 DFADRP C[NH+](C)[C@H](CC(=O)NCCCC[N@H+](C)C1CC1)c1ccccc1 ZINC000416242297 428698669 /nfs/dbraw/zinc/69/86/69/428698669.db2.gz FUPGLBCIFKXOJJ-GOSISDBHSA-N 2 0 317.477 2.670 20 0 DFADRP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccc(-n3cncn3)cc2)C[C@@H]1C ZINC000353754718 428699797 /nfs/dbraw/zinc/69/97/97/428699797.db2.gz ZQANNGWIQJCGHW-YJBOKZPZSA-N 2 0 313.449 2.572 20 0 DFADRP c1ccc(C[NH+]2C[C@@H]3C[NH+](CCc4cccnc4)C[C@H]3C2)cc1 ZINC000348302280 428701007 /nfs/dbraw/zinc/70/10/07/428701007.db2.gz BVDDBTGZDHPGRK-PMACEKPBSA-N 2 0 307.441 2.688 20 0 DFADRP CCc1cccc(Cl)c1C[NH2+]C[C@@H](C)N1CC[NH+](C)CC1 ZINC000353767816 428705078 /nfs/dbraw/zinc/70/50/78/428705078.db2.gz NATGVMBCNQXVFH-CQSZACIVSA-N 2 0 309.885 2.628 20 0 DFADRP Cn1cc(-c2ccc(C[NH2+][C@H]3CC[N@@H+]4CCC[C@H]4C3)s2)cn1 ZINC000374587195 428705101 /nfs/dbraw/zinc/70/51/01/428705101.db2.gz RTPWOCRCBOVYKD-GJZGRUSLSA-N 2 0 316.474 2.865 20 0 DFADRP C[C@H](C(=O)N(CC[NH+](C)C)C1CCCC1)[NH+]1CCCCCC1 ZINC000353781449 428711911 /nfs/dbraw/zinc/71/19/11/428711911.db2.gz WTNZNZKIUXXCFM-MRXNPFEDSA-N 2 0 309.498 2.584 20 0 DFADRP CN(C)CC[NH+]1CCC(C[NH2+]C[C@@H]2C[C@H]2c2ccccc2)CC1 ZINC000348251941 428680311 /nfs/dbraw/zinc/68/03/11/428680311.db2.gz ALTSKLWKXAMSRO-PMACEKPBSA-N 2 0 315.505 2.653 20 0 DFADRP CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)C[C@H](c1ccccc1)[NH+](C)C ZINC000416171678 428680543 /nfs/dbraw/zinc/68/05/43/428680543.db2.gz RMRFXNSUNXOAKW-QZTJIDSGSA-N 2 0 317.477 2.622 20 0 DFADRP C[C@H]([NH2+]CC[C@@H]1CCOC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000348259496 428682567 /nfs/dbraw/zinc/68/25/67/428682567.db2.gz FZHHKROELYQDMV-QXAKKESOSA-N 2 0 302.462 2.913 20 0 DFADRP CC[N@@H+]1C[C@H](C)[C@H](NCC[C@H](C)[NH+](C)Cc2ccccc2)C1 ZINC000344619675 428683787 /nfs/dbraw/zinc/68/37/87/428683787.db2.gz XDKWLNRFMHKVSU-JENIJYKNSA-N 2 0 303.494 2.827 20 0 DFADRP C[C@H]1C[C@@H]([NH2+]Cc2c[nH]nc2-c2c(F)cccc2F)CC[N@@H+]1C ZINC000344685271 428693181 /nfs/dbraw/zinc/69/31/81/428693181.db2.gz QGGCLRZYEBOFNK-AAEUAGOBSA-N 2 0 320.387 2.927 20 0 DFADRP OCC[N@@H+](Cc1cccc(C[NH+]2CCCCC2)c1)CC1CC1 ZINC000411184811 428753258 /nfs/dbraw/zinc/75/32/58/428753258.db2.gz LRQYFFIMJGRQJY-UHFFFAOYSA-N 2 0 302.462 2.877 20 0 DFADRP C[C@@H](C(=O)N[C@@H](C[NH+](C)C)c1ccccc1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000411185929 428754276 /nfs/dbraw/zinc/75/42/76/428754276.db2.gz OLBBKNCWSYEFGF-DFGXFYAUSA-N 2 0 317.477 2.667 20 0 DFADRP CO[C@@H]1CCN(CCOc2cccc(C(C)(C)C)c2)[C@H](C[NH3+])C1 ZINC000359052867 428792799 /nfs/dbraw/zinc/79/27/99/428792799.db2.gz GUHLMEPQCRBLRL-DLBZAZTESA-N 2 0 320.477 2.801 20 0 DFADRP CN(Cc1ccc(Cl)cn1)C1CC[NH+](C2CCOCC2)CC1 ZINC000374865110 428766855 /nfs/dbraw/zinc/76/68/55/428766855.db2.gz PSOSMIQGJHCOCV-UHFFFAOYSA-N 2 0 323.868 2.810 20 0 DFADRP C[N@@H+]1CCCC[C@@H]1CCC(=O)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000353899961 428769492 /nfs/dbraw/zinc/76/94/92/428769492.db2.gz IJNCDKYYLJNEKG-MSOLQXFVSA-N 2 0 321.509 2.728 20 0 DFADRP Cc1nn(C(C)(C)C)c(C)c1CN1CC[C@H]2CC[N@@H+](C)C[C@H]21 ZINC000374905160 428779937 /nfs/dbraw/zinc/77/99/37/428779937.db2.gz WDFAHUNDPVMWRH-NVXWUHKLSA-N 2 0 304.482 2.781 20 0 DFADRP CCOC[C@H]1CCC[C@@H]1[NH2+]Cc1cccc(OCC[NH+](C)C)c1 ZINC000353940076 428787645 /nfs/dbraw/zinc/78/76/45/428787645.db2.gz ACZQGEYHGIUIIN-MJGOQNOKSA-N 2 0 320.477 2.922 20 0 DFADRP C[C@@H]1C[C@H]1C[NH+]1CCN([C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000348561780 428789689 /nfs/dbraw/zinc/78/96/89/428789689.db2.gz YAOQXGCLVUDRDA-HOJAQTOUSA-N 2 0 313.489 2.535 20 0 DFADRP CC(CC[NH+](C)C[C@H]1CCCO1)CC[N@H+](C)C[C@H]1CCCO1 ZINC000411172778 428752226 /nfs/dbraw/zinc/75/22/26/428752226.db2.gz NAIGNAFJLKHERV-QZTJIDSGSA-N 2 0 312.498 2.624 20 0 DFADRP CC(C)[C@@](C)([NH2+]Cc1cccc(C[NH+]2CCCCC2)c1)C(N)=O ZINC000411726101 428846497 /nfs/dbraw/zinc/84/64/97/428846497.db2.gz JJVZBTACESBYOC-LJQANCHMSA-N 2 0 317.477 2.662 20 0 DFADRP C[N@H+](CC1CC1)C[C@H]1CCN(Cc2cccc3c2OCO3)C1 ZINC000354078756 428851142 /nfs/dbraw/zinc/85/11/42/428851142.db2.gz XZMKCVYPBJTLAA-OAHLLOKOSA-N 2 0 302.418 2.579 20 0 DFADRP Cc1cc2[nH]c(C[NH2+]CCCN3CC[NH+](C)CC3)cc2c(C)c1 ZINC000359079291 428806817 /nfs/dbraw/zinc/80/68/17/428806817.db2.gz MKPOADLRUNPUTR-UHFFFAOYSA-N 2 0 314.477 2.512 20 0 DFADRP C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@@H]1[NH2+]CCc1ccsc1 ZINC000362803187 428806994 /nfs/dbraw/zinc/80/69/94/428806994.db2.gz SPBPUHFQCQHVNH-PVAVHDDUSA-N 2 0 308.491 2.770 20 0 DFADRP CCCCNC(=O)CC[NH2+][C@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000411520627 428811754 /nfs/dbraw/zinc/81/17/54/428811754.db2.gz WJUAIHRATUICRI-CVEARBPZSA-N 2 0 309.498 2.535 20 0 DFADRP C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1[NH2+]Cc1ccnc(N)c1 ZINC000411546425 428816507 /nfs/dbraw/zinc/81/65/07/428816507.db2.gz ZVCQCKPCZPMIHY-HOTGVXAUSA-N 2 0 324.472 2.910 20 0 DFADRP CC1CCC(C[N@@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@@H](C)C2)CC1 ZINC000354037637 428833965 /nfs/dbraw/zinc/83/39/65/428833965.db2.gz JEOBDCTVNYEFPL-JEVOJNTISA-N 2 0 307.526 2.771 20 0 DFADRP C[C@@H]1[C@@H](NC(=O)[C@H](c2cccc(Cl)c2)N(C)C)CCC[N@@H+]1C ZINC000345317903 428843128 /nfs/dbraw/zinc/84/31/28/428843128.db2.gz KWBNYVQXWRFOTB-KCXAZCMYSA-N 2 0 323.868 2.542 20 0 DFADRP Cc1cccc(N2CCC([NH2+]C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)n1 ZINC000375518944 428906623 /nfs/dbraw/zinc/90/66/23/428906623.db2.gz LRRVUFCVQIQSKY-AYHJJNSGSA-N 2 0 314.477 2.574 20 0 DFADRP c1cc2c(c([C@H]3CCC[N@H+]3CCC3CC[NH2+]CC3)c1)OCCO2 ZINC000359184024 428856348 /nfs/dbraw/zinc/85/63/48/428856348.db2.gz BCIWSCXTEPURBU-QGZVFWFLSA-N 2 0 316.445 2.984 20 0 DFADRP CC(C)[C@H]([NH2+]CCN1CCC([NH+](C)C)CC1)c1ccc(F)cn1 ZINC000354089856 428858361 /nfs/dbraw/zinc/85/83/61/428858361.db2.gz GLADXRODTDEBGF-SFHVURJKSA-N 2 0 322.472 2.533 20 0 DFADRP CCc1ccccc1C[N@@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@H]21 ZINC000375345077 428858952 /nfs/dbraw/zinc/85/89/52/428858952.db2.gz KVFCSBYMBLBCTF-IPMKNSEASA-N 2 0 302.462 2.933 20 0 DFADRP C[C@@H]1CCC[C@@H](C[N@@H+]2CCCN(Cc3nccn3C)CC2)C1 ZINC000363109087 428859522 /nfs/dbraw/zinc/85/95/22/428859522.db2.gz XXDHASNOCVKXAW-IAGOWNOFSA-N 2 0 304.482 2.754 20 0 DFADRP CC[N@H+](CCC1CC[NH2+]CC1)C[C@H]1COc2ccccc2O1 ZINC000359196584 428862830 /nfs/dbraw/zinc/86/28/30/428862830.db2.gz URNJOFWNQYGLGW-INIZCTEOSA-N 2 0 304.434 2.538 20 0 DFADRP CC[NH+](CC)[C@@H](C)CNC(=O)[C@H](c1ccccc1)[NH+](CC)CC ZINC000348870124 428865118 /nfs/dbraw/zinc/86/51/18/428865118.db2.gz AKRWEJUDJGQVSX-WMZOPIPTSA-N 2 0 319.493 2.916 20 0 DFADRP CC[N@H+](CCC1CC[NH2+]CC1)[C@@H]1CCN(c2ccccc2)C1=O ZINC000359212691 428867387 /nfs/dbraw/zinc/86/73/87/428867387.db2.gz DZUHXNWSQVRSBL-GOSISDBHSA-N 2 0 315.461 2.504 20 0 DFADRP CC[NH+](CC)C[C@@H]1CCN(Cc2c(C)cc(OC)nc2C)C1 ZINC000359222705 428871956 /nfs/dbraw/zinc/87/19/56/428871956.db2.gz IHFABYPYWPMDJF-INIZCTEOSA-N 2 0 305.466 2.871 20 0 DFADRP CC(C)[NH+]1CCC(NC(=O)C[NH2+][C@@H](C)[C@H]2CCC[C@@H](C)C2)CC1 ZINC000411877157 428876064 /nfs/dbraw/zinc/87/60/64/428876064.db2.gz QMHWCWKWKQNRFD-IKGGRYGDSA-N 2 0 323.525 2.780 20 0 DFADRP C[C@@H]1C[C@@H](O)C[N@H+](Cc2cccc(C[NH+]3CCCCC3)c2)C1 ZINC000411877066 428876660 /nfs/dbraw/zinc/87/66/60/428876660.db2.gz QFSAQXXRKDBYHR-VQIMIIECSA-N 2 0 302.462 2.875 20 0 DFADRP Cc1cc(C[NH2+][C@@H]2c3ccccc3CC[C@@H]2n2ccnc2)n(C)n1 ZINC000418064395 428876655 /nfs/dbraw/zinc/87/66/55/428876655.db2.gz IEHWYHBCWQBRAD-RBUKOAKNSA-N 2 0 321.428 2.943 20 0 DFADRP CCOC[C@@H]1CCC[C@@H]1[NH2+]Cc1ccccc1OCC[NH+](C)C ZINC000354133336 428878658 /nfs/dbraw/zinc/87/86/58/428878658.db2.gz DBYQGYXNBDJKCK-ROUUACIJSA-N 2 0 320.477 2.922 20 0 DFADRP Cn1ccc([C@H]([NH2+]CCCC[NH+](C)C)c2ccc(F)cc2)n1 ZINC000359244127 428886686 /nfs/dbraw/zinc/88/66/86/428886686.db2.gz RIONKPCHPKCQKQ-QGZVFWFLSA-N 2 0 304.413 2.580 20 0 DFADRP Cc1[nH+]ccc(NCCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1Cl ZINC000354154487 428889973 /nfs/dbraw/zinc/88/99/73/428889973.db2.gz CHQRHJMCLQCATJ-BETUJISGSA-N 2 0 311.857 2.767 20 0 DFADRP COCCCC[NH2+][C@@H]1CCN(Cc2cnc(C)s2)C[C@@H]1C ZINC000375513619 428904198 /nfs/dbraw/zinc/90/41/98/428904198.db2.gz LSELKWQVCKRDQI-XJKSGUPXSA-N 2 0 311.495 2.678 20 0 DFADRP C[NH+](C)CCOCC[NH2+][C@@H]1C[C@H](OCc2ccccc2)C1(C)C ZINC000354203688 428914422 /nfs/dbraw/zinc/91/44/22/428914422.db2.gz JCMWPSIYVDBNDG-MSOLQXFVSA-N 2 0 320.477 2.538 20 0 DFADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)Cc1ccc(C)s1 ZINC000349077835 428914564 /nfs/dbraw/zinc/91/45/64/428914564.db2.gz QHSBMJZRBLWOPX-MRXNPFEDSA-N 2 0 309.523 2.904 20 0 DFADRP CC[N@@H+]1CC[C@@H]([NH+](C)CCC(=O)NCC2CCCCC2)C[C@H]1C ZINC000354226268 428928613 /nfs/dbraw/zinc/92/86/13/428928613.db2.gz VXZQTQCOKRJJTO-SJLPKXTDSA-N 2 0 323.525 2.878 20 0 DFADRP CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](c1ccco1)[NH+](CC)CC ZINC000349142045 428928833 /nfs/dbraw/zinc/92/88/33/428928833.db2.gz HBOJKJYFAWNAJN-JKSUJKDBSA-N 2 0 321.465 2.653 20 0 DFADRP CCC[NH+]1CCC([NH2+][C@H]2CC[C@@H](C(=O)N3CCCCC3)C2)CC1 ZINC000375634489 428930224 /nfs/dbraw/zinc/93/02/24/428930224.db2.gz JCTRBLCJFLYCJS-AEFFLSMTSA-N 2 0 321.509 2.632 20 0 DFADRP C[N@@H+]1CC[C@H]([NH2+]Cc2cccc3c2OCCCO3)[C@@H]2CCC[C@@H]21 ZINC000375788249 428971547 /nfs/dbraw/zinc/97/15/47/428971547.db2.gz IPLJFRWRMOLJCR-ULQDDVLXSA-N 2 0 316.445 2.810 20 0 DFADRP c1ccc(C[N@@H+]2CCC3(C2)CC[NH+]([C@H]2CCOC2)CC3)cc1 ZINC000375674163 428940602 /nfs/dbraw/zinc/94/06/02/428940602.db2.gz SEVFXFFBWUWXKU-SFHVURJKSA-N 2 0 300.446 2.763 20 0 DFADRP COc1ccc([C@H](C)[C@H](C)[NH2+][C@@H]2CCCC[NH2+]C2)cc1OC ZINC000423566246 428971879 /nfs/dbraw/zinc/97/18/79/428971879.db2.gz TWNWEPYKKBWQBY-IJEWVQPXSA-N 2 0 306.450 2.928 20 0 DFADRP c1nc([C@@H]2CCCN(CC[NH+]3CCCCC3)C2)n2c1CCCC2 ZINC000375698606 428945114 /nfs/dbraw/zinc/94/51/14/428945114.db2.gz TWRJHNSPEUVUQF-QGZVFWFLSA-N 2 0 316.493 2.885 20 0 DFADRP CC[NH+](CC)CCNC(=O)[C@@H](c1ccccc1)[NH+](CC)CC ZINC000354264744 428945270 /nfs/dbraw/zinc/94/52/70/428945270.db2.gz GWKLPQSQKLMAJZ-QGZVFWFLSA-N 2 0 305.466 2.528 20 0 DFADRP [NH3+]C[C@@H]1CC[C@@H](Nc2nccc3cc(Br)ccc32)C1 ZINC000420280037 428955777 /nfs/dbraw/zinc/95/57/77/428955777.db2.gz UCVASWJWKNONBO-ZWNOBZJWSA-N 2 0 320.234 3.537 20 0 DFADRP [NH3+]C[C@@H]1CC[C@H](Nc2nccc3cc(Br)ccc32)C1 ZINC000420280036 428956108 /nfs/dbraw/zinc/95/61/08/428956108.db2.gz UCVASWJWKNONBO-MFKMUULPSA-N 2 0 320.234 3.537 20 0 DFADRP C[C@@H]1CCC[C@@H](CC[NH+]2CCN([C@H]3CCC[N@H+](C)C3)CC2)C1 ZINC000363615490 428956401 /nfs/dbraw/zinc/95/64/01/428956401.db2.gz JLBILFIDQWDEKV-QYZOEREBSA-N 2 0 307.526 2.915 20 0 DFADRP C[C@@H](CC[N@H+](C)CCCN1CC[NH+](C)CC1)c1ccccc1 ZINC000349298053 428959536 /nfs/dbraw/zinc/95/95/36/428959536.db2.gz OENMFGHUIWMKKR-SFHVURJKSA-N 2 0 303.494 2.750 20 0 DFADRP Cc1ccc(C[N@@H+]2CCN(C3CC[NH+](C)CC3)[C@@H](C)C2)cc1C ZINC000349321418 428961949 /nfs/dbraw/zinc/96/19/49/428961949.db2.gz XPFBDXKDOLXMBD-SFHVURJKSA-N 2 0 315.505 2.904 20 0 DFADRP Cc1ccsc1C[N@@H+]1CCN(C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000349325226 428962359 /nfs/dbraw/zinc/96/23/59/428962359.db2.gz CMLKGTWGZIXZHV-OAHLLOKOSA-N 2 0 307.507 2.657 20 0 DFADRP CCN(CCCNC(=O)[C@H]1CCCC[N@@H+]1CC)c1ccccc1 ZINC000354312890 428964284 /nfs/dbraw/zinc/96/42/84/428964284.db2.gz VFHDXQBHMJOIDB-GOSISDBHSA-N 2 0 317.477 2.894 20 0 DFADRP c1ccc([C@H]([NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)c2cncnc2)cc1 ZINC000423541402 428967973 /nfs/dbraw/zinc/96/79/73/428967973.db2.gz KUJPWXZSJDNPAK-JFRXWTBNSA-N 2 0 308.429 2.544 20 0 DFADRP CC[C@@H]([NH2+]CCC1=CC[NH2+]CC1)c1ccc2c(c1)OCCO2 ZINC000423539044 428968035 /nfs/dbraw/zinc/96/80/35/428968035.db2.gz OIHRJRSWDMJPRY-MRXNPFEDSA-N 2 0 302.418 2.808 20 0 DFADRP NC1(C[NH2+][C@H]2CCC23CCC3)CC[NH+](Cc2ccccc2)CC1 ZINC000423547576 428968132 /nfs/dbraw/zinc/96/81/32/428968132.db2.gz DNMLUMADIYSKQR-SFHVURJKSA-N 2 0 313.489 2.902 20 0 DFADRP COc1ccc2c(c1)C[C@H]([NH2+][C@@H]1CC[C@H]3C[NH2+]C[C@H]3C1)CC2 ZINC000423548338 428968462 /nfs/dbraw/zinc/96/84/62/428968462.db2.gz QSZBLWKWBSYDLO-DZOHQFGASA-N 2 0 300.446 2.530 20 0 DFADRP CC(C)C[C@@H]1CCC[C@@H]([NH2+]CCC[N@@H+]2CCC[C@@H](C(N)=O)C2)C1 ZINC000354327530 428969541 /nfs/dbraw/zinc/96/95/41/428969541.db2.gz HHFHRKJRURTXOA-RCCFBDPRSA-N 2 0 323.525 2.768 20 0 DFADRP COC(=O)CCC[C@@H]1CCC[C@H]([NH2+]CCC2=CC[NH2+]CC2)C1 ZINC000423539878 428969649 /nfs/dbraw/zinc/96/96/49/428969649.db2.gz PMZIIZZPCBMQDM-IRXDYDNUSA-N 2 0 308.466 2.788 20 0 DFADRP COc1cc2c(cc1F)CC[C@@H]2[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000423551838 428970634 /nfs/dbraw/zinc/97/06/34/428970634.db2.gz UHWVOFNHNDXCBM-CFAJVAMVSA-N 2 0 304.409 2.799 20 0 DFADRP CCO[C@@H]1COCC[C@@H]1[NH2+]C1CC[NH+]([C@@H]2CCC[C@H](C)C2)CC1 ZINC000354984684 429022353 /nfs/dbraw/zinc/02/23/53/429022353.db2.gz QCOOACCCTZHYQD-WZGPROSRSA-N 2 0 324.509 2.813 20 0 DFADRP CCc1ccccc1CC[NH2+]C(C)(C)CN1CC[NH+](CC)CC1 ZINC000451982840 429032041 /nfs/dbraw/zinc/03/20/41/429032041.db2.gz KEQNMZPDXFZLGZ-UHFFFAOYSA-N 2 0 317.521 2.797 20 0 DFADRP CC[NH+]1CCN(CC(C)(C)[NH2+]C[C@H]2CCCC(F)(F)C2)CC1 ZINC000451994455 429035105 /nfs/dbraw/zinc/03/51/05/429035105.db2.gz VRYSVQNJWJHQMG-HNNXBMFYSA-N 2 0 317.468 2.818 20 0 DFADRP c1ccc(C[N@@H+]2C[C@@H]3CC[C@H](N[C@@H]4CCCC[NH2+]C4)[C@@H]3C2)cc1 ZINC000423572124 428973816 /nfs/dbraw/zinc/97/38/16/428973816.db2.gz YHADKYBIWTUJMY-NMLBUPMWSA-N 2 0 313.489 2.629 20 0 DFADRP c1ccc(C[N@@H+]2C[C@@H]3CC[C@H](N[C@@H]4CCCC[NH2+]C4)[C@H]3C2)cc1 ZINC000423572125 428974563 /nfs/dbraw/zinc/97/45/63/428974563.db2.gz YHADKYBIWTUJMY-YRPNKDGESA-N 2 0 313.489 2.629 20 0 DFADRP C[C@H](CCc1ccc2c(c1)OCO2)[NH2+]CCC1=CC[NH2+]CC1 ZINC000423573206 428975396 /nfs/dbraw/zinc/97/53/96/428975396.db2.gz ZERWCIFRTQFBJC-CQSZACIVSA-N 2 0 302.418 2.636 20 0 DFADRP C[C@@H]1C[N@H+](CCC[NH2+][C@@H]2CS[C@@H](C(C)(C)C)C2)CCCO1 ZINC000433024404 428979463 /nfs/dbraw/zinc/97/94/63/428979463.db2.gz WYXCKJKYDFLZEQ-OWCLPIDISA-N 2 0 314.539 2.997 20 0 DFADRP CC[NH+]1CCC([NH2+]C[C@@H]2CCCN(c3ccccc3)C2)CC1 ZINC000433096851 428993648 /nfs/dbraw/zinc/99/36/48/428993648.db2.gz JKSRLOGRJRHACL-KRWDZBQOSA-N 2 0 301.478 2.977 20 0 DFADRP COc1cccc(OCCC[NH2+][C@@H]2CC[N@H+](C)[C@@H]3CCC[C@H]32)c1 ZINC000375855040 428998553 /nfs/dbraw/zinc/99/85/53/428998553.db2.gz YAWSAGKSSUVGMN-IPMKNSEASA-N 2 0 318.461 2.927 20 0 DFADRP CC(C)(C)C[C@H]1CCCN1C(=O)CCC[NH+]1CCC([NH3+])CC1 ZINC000433131556 428999504 /nfs/dbraw/zinc/99/95/04/428999504.db2.gz KFXQEROJUDTZCM-MRXNPFEDSA-N 2 0 309.498 2.617 20 0 DFADRP C[N@@H+]1CC[C@H]([NH2+]CCc2ccc3c(c2)CCO3)[C@H]2CCC[C@@H]21 ZINC000375859861 429000737 /nfs/dbraw/zinc/00/07/37/429000737.db2.gz FTGAVHVSFNHVTA-SQNIBIBYSA-N 2 0 300.446 2.626 20 0 DFADRP C[NH+](C)Cc1ccc(CNC(=O)[C@@H]2CCCCCC[C@H]2[NH3+])cc1 ZINC000423719086 429001899 /nfs/dbraw/zinc/00/18/99/429001899.db2.gz BVOZUSVYNHDJCP-QZTJIDSGSA-N 2 0 317.477 2.662 20 0 DFADRP C[NH+](C)Cc1ccc(CNC(=O)[C@H]2CCCCCC[C@H]2[NH3+])cc1 ZINC000423719088 429003356 /nfs/dbraw/zinc/00/33/56/429003356.db2.gz BVOZUSVYNHDJCP-ZWKOTPCHSA-N 2 0 317.477 2.662 20 0 DFADRP [NH3+]C1CC[NH+](CCCC(=O)Nc2cccc3c2CCCC3)CC1 ZINC000433172424 429004030 /nfs/dbraw/zinc/00/40/30/429004030.db2.gz HMQJYEAUSOOYSK-UHFFFAOYSA-N 2 0 315.461 2.707 20 0 DFADRP C[NH2+][C@H](CC(C)(C)C)C(=O)N1CCC[C@H]([N@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC000423721887 429004162 /nfs/dbraw/zinc/00/41/62/429004162.db2.gz CJNBJTRRKNGYTP-VVLHAWIVSA-N 2 0 323.525 2.874 20 0 DFADRP CCC(CC)(C[NH3+])C(=O)N1CCC[C@H]([N@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC000423724676 429004603 /nfs/dbraw/zinc/00/46/03/429004603.db2.gz HMDWGHQLMUYAFY-XHSDSOJGSA-N 2 0 309.498 2.615 20 0 DFADRP CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)[C@@H](C(C)C)[C@H](C)[NH3+] ZINC000423749578 429009549 /nfs/dbraw/zinc/00/95/49/429009549.db2.gz WGGALAITJKWZDK-YJBOKZPZSA-N 2 0 319.493 2.716 20 0 DFADRP CCCOc1ccc(NC(=O)CCC[NH+]2CCC([NH3+])CC2)cc1 ZINC000423752749 429010089 /nfs/dbraw/zinc/01/00/89/429010089.db2.gz WEKQPHNIAZGRGO-UHFFFAOYSA-N 2 0 319.449 2.617 20 0 DFADRP CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)[C@H](C(C)C)[C@H](C)[NH3+] ZINC000423749576 429010183 /nfs/dbraw/zinc/01/01/83/429010183.db2.gz WGGALAITJKWZDK-MAUKXSAKSA-N 2 0 319.493 2.716 20 0 DFADRP C[N@@H+]1CC[C@H]([NH2+]Cc2ccc(C(C)(C)O)cc2)[C@@H]2CCC[C@H]21 ZINC000375898369 429010898 /nfs/dbraw/zinc/01/08/98/429010898.db2.gz RRDLMKASRWLVBO-OKZBNKHCSA-N 2 0 302.462 2.876 20 0 DFADRP CN(CC[N@H+](C)C1CCCCC1)C(=O)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000423760018 429011948 /nfs/dbraw/zinc/01/19/48/429011948.db2.gz MUCKFKAECKRXGO-ALOPSCKCSA-N 2 0 321.509 2.630 20 0 DFADRP CCN(CCC[NH+](CC)CC)C(=O)C1C[C@H]2CCC[C@@H](C1)C2[NH3+] ZINC000423774705 429013940 /nfs/dbraw/zinc/01/39/40/429013940.db2.gz BTPOOCHGLJNKHM-OQSMONGASA-N 2 0 323.525 2.720 20 0 DFADRP C[NH+](C)[C@@H]1CCCN(C(=O)C(C)(C)[C@@H]([NH3+])c2ccccc2)CC1 ZINC000423774179 429013967 /nfs/dbraw/zinc/01/39/67/429013967.db2.gz KSVCYCXRWLMPCY-SJORKVTESA-N 2 0 317.477 2.655 20 0 DFADRP CCCC[N@H+](C)C[C@H](C)NC(=O)[C@H](C)[C@H]([NH3+])c1ccccc1 ZINC000423768690 429014038 /nfs/dbraw/zinc/01/40/38/429014038.db2.gz FOSQBEBWUQWCDM-UXLLHSPISA-N 2 0 305.466 2.559 20 0 DFADRP Cc1ccc(CC[N@H+]2CC[C@H](N3CC[NH+](C(C)C)CC3)C2)cc1 ZINC000375906332 429014444 /nfs/dbraw/zinc/01/44/44/429014444.db2.gz VGFYDZZEMSGSMB-FQEVSTJZSA-N 2 0 315.505 2.638 20 0 DFADRP CC(C)[N@@H+]1[C@@H]2CC[C@H]1CN(C(=O)c1ccc([C@@H](C)[NH3+])cc1)CC2 ZINC000423769965 429014854 /nfs/dbraw/zinc/01/48/54/429014854.db2.gz CWYYPBMFOLMMDD-OLMNPRSZSA-N 2 0 315.461 2.794 20 0 DFADRP C[C@H](CCCC[NH3+])[NH2+][C@H](C)c1cccc(N2CCOCC2)c1 ZINC000423447645 429089241 /nfs/dbraw/zinc/08/92/41/429089241.db2.gz ZVDLZCPEPKFWRY-HZPDHXFCSA-N 2 0 305.466 2.691 20 0 DFADRP Cc1ccc(C[NH+](C)C)cc1NC(=O)[C@@H]1[NH2+]CCCC1(C)C ZINC000423440772 429089317 /nfs/dbraw/zinc/08/93/17/429089317.db2.gz OSRKBRWMPASVHE-INIZCTEOSA-N 2 0 303.450 2.773 20 0 DFADRP CC(C)CC(CC(C)C)[NH2+][C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1 ZINC000423448454 429089796 /nfs/dbraw/zinc/08/97/96/429089796.db2.gz FCSIMXCKEDPCTR-MJGOQNOKSA-N 2 0 323.525 2.684 20 0 DFADRP C[C@H](CC(=O)N(C)c1ccccc1)[NH2+]C[C@H]1CCC[C@H]([NH3+])C1 ZINC000423459749 429090974 /nfs/dbraw/zinc/09/09/74/429090974.db2.gz LVDZNIZKRWJEKR-PMPSAXMXSA-N 2 0 303.450 2.535 20 0 DFADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2cc(C)cc(N)c2)[C@@H](C)C1 ZINC000423473375 429092413 /nfs/dbraw/zinc/09/24/13/429092413.db2.gz HCDCIPPECLXVBS-LPHOPBHVSA-N 2 0 319.493 2.804 20 0 DFADRP C[C@@H]1C[C@@H]([NH2+]CCC[C@@H]2CCC[NH2+]2)CN1Cc1ccccc1 ZINC000423469679 429092998 /nfs/dbraw/zinc/09/29/98/429092998.db2.gz CZMUWXZJLFENPA-NZSAHSFTSA-N 2 0 301.478 2.771 20 0 DFADRP C[C@@H]([NH2+]C[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1)[C@H]1CCCOC1 ZINC000423474426 429093925 /nfs/dbraw/zinc/09/39/25/429093925.db2.gz OUKGMIJKIPXXHD-QSOKESPWSA-N 2 0 320.452 2.924 20 0 DFADRP COc1ccccc1NC(=O)C[C@H](C)[NH2+]C[C@H]1CCC[C@@H]([NH3+])C1 ZINC000423474223 429093986 /nfs/dbraw/zinc/09/39/86/429093986.db2.gz YVVWLLLFYXJBFL-SOUVJXGZSA-N 2 0 319.449 2.519 20 0 DFADRP C[C@H]([NH2+]C[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1)[C@@H]1CCOC1 ZINC000423478626 429095342 /nfs/dbraw/zinc/09/53/42/429095342.db2.gz UEWNKEOKGWLAPN-JXSMBQFASA-N 2 0 306.425 2.533 20 0 DFADRP C[C@@H](NC[C@H]1C[NH2+]CCCO1)c1csc(-c2ccccc2)n1 ZINC000423490274 429095697 /nfs/dbraw/zinc/09/56/97/429095697.db2.gz HQEYYLXYBZFWRM-UKRRQHHQSA-N 2 0 317.458 2.839 20 0 DFADRP CCC[C@@H](C)[C@@H]1CCCN1C(=O)CCC[NH+]1CCC([NH3+])CC1 ZINC000423858440 429039514 /nfs/dbraw/zinc/03/95/14/429039514.db2.gz ZMVZFHLRDXPYSG-WBVHZDCISA-N 2 0 309.498 2.617 20 0 DFADRP CC[C@H](O)C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H]2CCC[C@H]21 ZINC000421872214 429043470 /nfs/dbraw/zinc/04/34/70/429043470.db2.gz GNTPSLVLIJUBLJ-INDMIFKZSA-N 2 0 302.462 2.790 20 0 DFADRP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)N(CC[NH+](C)C)CC1CCCCC1 ZINC000355416523 429043815 /nfs/dbraw/zinc/04/38/15/429043815.db2.gz XLDOFBGKYGJURQ-CALCHBBNSA-N 2 0 323.525 2.830 20 0 DFADRP COc1ccc2c(c1F)CC[C@H]2[NH2+]C[C@@H]1CCNCC1(F)F ZINC000423490794 429096774 /nfs/dbraw/zinc/09/67/74/429096774.db2.gz ZEXAJNVBWDSWDP-GXFFZTMASA-N 2 0 314.351 2.656 20 0 DFADRP Cn1nccc1[C@H]1CCC[C@@H]([NH2+]CC2CC[NH+](C3CC3)CC2)C1 ZINC000376087830 429054804 /nfs/dbraw/zinc/05/48/04/429054804.db2.gz ZZRJOAULYOKOJK-DLBZAZTESA-N 2 0 316.493 2.910 20 0 DFADRP COCCc1nc(C)c([C@H](C)[NH2+][C@H]2CCCC[C@@H]2C[NH3+])s1 ZINC000423281700 429055732 /nfs/dbraw/zinc/05/57/32/429055732.db2.gz UKLLWTNRURPPQK-YUTCNCBUSA-N 2 0 311.495 2.809 20 0 DFADRP C[C@@H]([NH3+])c1ccc(C(=O)NCCC[NH+]2CCC(C)CC2)cc1 ZINC000423295423 429057633 /nfs/dbraw/zinc/05/76/33/429057633.db2.gz ADSBOHBVHMGYEO-OAHLLOKOSA-N 2 0 303.450 2.558 20 0 DFADRP [NH3+]C[C@@H]1CCC[C@@H]1N[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000423285676 429058986 /nfs/dbraw/zinc/05/89/86/429058986.db2.gz ZNCRZESJTLLCJC-KNJMJIDISA-N 2 0 313.489 2.899 20 0 DFADRP CCCC[C@H](C[NH3+])N[C@@H](c1ccc(OC)cc1)[C@@H]1CCC[NH2+]1 ZINC000423303767 429060157 /nfs/dbraw/zinc/06/01/57/429060157.db2.gz XLQZADLRAKGVKO-NJAFHUGGSA-N 2 0 305.466 2.595 20 0 DFADRP CCCC[C@@H](C[NH3+])N[C@@H](C)c1cc(OC)c(OC)c(OC)c1 ZINC000423301221 429060361 /nfs/dbraw/zinc/06/03/61/429060361.db2.gz SWEVGWDZMLMQMK-JSGCOSHPSA-N 2 0 310.438 2.881 20 0 DFADRP COc1ccc([C@H](Cc2ccc(F)cc2)[NH2+]CC2C[NH2+]C2)cc1 ZINC000423308672 429060504 /nfs/dbraw/zinc/06/05/04/429060504.db2.gz YCXTXUCFWGMHPJ-IBGZPJMESA-N 2 0 314.404 2.927 20 0 DFADRP [NH3+]C[C@H](NC(=O)c1cccc(C[NH+]2CCCC2)c1)C1CCCC1 ZINC000423935934 429060737 /nfs/dbraw/zinc/06/07/37/429060737.db2.gz BITUCRGWXFFMIK-SFHVURJKSA-N 2 0 315.461 2.530 20 0 DFADRP CC[C@@H](NCC[NH2+]CCOC)c1ccc(Br)cc1 ZINC000423310717 429061065 /nfs/dbraw/zinc/06/10/65/429061065.db2.gz AVRZGIKCSFEGCF-CQSZACIVSA-N 2 0 315.255 2.726 20 0 DFADRP [NH3+][C@H](CN[C@@H]1CC[N@H+](Cc2ccccc2)[C@H]2CCC[C@@H]21)C1CC1 ZINC000423315861 429062528 /nfs/dbraw/zinc/06/25/28/429062528.db2.gz JDPAHFLMIHQEAV-WTGUMLROSA-N 2 0 313.489 2.757 20 0 DFADRP C[C@H]([NH2+]C[C@@]1(C)CCC[NH2+]C1)c1ccc(OCC[NH+](C)C)cc1 ZINC000423326421 429064940 /nfs/dbraw/zinc/06/49/40/429064940.db2.gz KMTGYDMHCKIJIV-LPHOPBHVSA-N 3 0 319.493 2.667 20 0 DFADRP CC(C)[N@H+](C)Cc1ccccc1CNC(=O)[C@@H]1C[C@@H](C)CC[NH2+]1 ZINC000423325507 429065815 /nfs/dbraw/zinc/06/58/15/429065815.db2.gz IVCUVIVIZPUKQS-YJBOKZPZSA-N 2 0 317.477 2.531 20 0 DFADRP CC(C)[N@H+](C)Cc1ccccc1CNC(=O)[C@H]1C[C@H](C)CC[NH2+]1 ZINC000423325503 429066304 /nfs/dbraw/zinc/06/63/04/429066304.db2.gz IVCUVIVIZPUKQS-CRAIPNDOSA-N 2 0 317.477 2.531 20 0 DFADRP C[C@@H]([NH3+])c1ccc(C(=O)NCCCC[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000423334635 429067612 /nfs/dbraw/zinc/06/76/12/429067612.db2.gz QXCHMVMEQSQHMD-JKSUJKDBSA-N 2 0 317.477 2.948 20 0 DFADRP C[C@@H](Cc1ccccc1)[NH+]1CCC([NH2+]CC2=CC[NH2+]CC2)CC1 ZINC000423337940 429068495 /nfs/dbraw/zinc/06/84/95/429068495.db2.gz AOWJBBGUTFBWCT-KRWDZBQOSA-N 3 0 313.489 2.591 20 0 DFADRP C[C@@H]1C[C@@H](NC[C@]2(C)CCC[NH2+]C2)C[N@@H+]1Cc1ccccc1 ZINC000423343596 429069157 /nfs/dbraw/zinc/06/91/57/429069157.db2.gz XACXHDQBMOOVMV-BHIYHBOVSA-N 2 0 301.478 2.629 20 0 DFADRP c1ccc(C[N@H+]2CC[C@H](NC[C@@H]3CC[NH2+]C3)[C@H]3CCC[C@H]32)cc1 ZINC000423347885 429070335 /nfs/dbraw/zinc/07/03/35/429070335.db2.gz SCDOEALTIIQVMH-YSTOQKLRSA-N 2 0 313.489 2.629 20 0 DFADRP COc1ccc(C[C@@H](C)[NH2+]C[C@]2(C)CCC[NH2+]C2)c(C)c1OC ZINC000423349251 429070463 /nfs/dbraw/zinc/07/04/63/429070463.db2.gz VFSADICIXXRBBT-AUUYWEPGSA-N 2 0 320.477 2.923 20 0 DFADRP C[N@@H+]1CCCC[C@@H]1CCC(=O)NCCCCC[NH+]1CCCC1 ZINC000452149738 429070565 /nfs/dbraw/zinc/07/05/65/429070565.db2.gz MVAXSCKANTUUJR-QGZVFWFLSA-N 2 0 309.498 2.633 20 0 DFADRP CC(C)[C@@H](C(=O)N1CCC[N@H+](CC2CCCCC2)CC1)[C@H](C)[NH3+] ZINC000423341375 429070848 /nfs/dbraw/zinc/07/08/48/429070848.db2.gz CKHWZVZRWHKDDN-FUHWJXTLSA-N 2 0 323.525 2.720 20 0 DFADRP C[C@@H]1C[C@H](N[C@@H]2CCC[N@H+](Cc3ccccc3)[C@H]2C)CC[NH2+]1 ZINC000423368960 429073517 /nfs/dbraw/zinc/07/35/17/429073517.db2.gz BMAJFUGODONSEC-UKBAYJJMSA-N 2 0 301.478 2.770 20 0 DFADRP CC(C)[N@H+](C)Cc1cccc(CNC(=O)[C@@H]2C[C@H](C)CC[NH2+]2)c1 ZINC000423370827 429073962 /nfs/dbraw/zinc/07/39/62/429073962.db2.gz UQIATCZPQCPPMU-QAPCUYQASA-N 2 0 317.477 2.531 20 0 DFADRP C[C@@H]1C[C@H](N[C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)CC[NH2+]1 ZINC000423370679 429074247 /nfs/dbraw/zinc/07/42/47/429074247.db2.gz DUCKBAVCGUYBNY-RACLHMPKSA-N 2 0 313.489 2.912 20 0 DFADRP C[C@@H]([NH3+])c1ccc(C(=O)N[C@H](C)C[N@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000423374608 429075969 /nfs/dbraw/zinc/07/59/69/429075969.db2.gz XGGABPGXCAJCOD-QKPAOTATSA-N 2 0 317.477 2.803 20 0 DFADRP CC[N@@H+]1CC[C@H](CNC(=O)CC[C@@H]([NH3+])CC2CCCCC2)C1 ZINC000424132927 429097319 /nfs/dbraw/zinc/09/73/19/429097319.db2.gz LHOSIQXGDQRPEM-IAGOWNOFSA-N 2 0 309.498 2.522 20 0 DFADRP C[N@H+](CCNC(=O)C(C)(C)[C@@H]([NH3+])c1ccccc1)C1CCCC1 ZINC000423383930 429078539 /nfs/dbraw/zinc/07/85/39/429078539.db2.gz PMATYTSTRGNGAS-KRWDZBQOSA-N 2 0 317.477 2.703 20 0 DFADRP COc1cc([C@H](C)[NH2+][C@H]2CC[NH2+]C[C@@H]2C)ccc1OC(F)F ZINC000423397661 429079023 /nfs/dbraw/zinc/07/90/23/429079023.db2.gz OINHDVWCFGVBIT-GVXVVHGQSA-N 2 0 314.376 2.945 20 0 DFADRP C[C@H]1CN(Cc2ccccc2)C[C@H]1[NH2+]Cc1ccc2c(c1)C[NH2+]C2 ZINC000423397453 429079900 /nfs/dbraw/zinc/07/99/00/429079900.db2.gz SWLHKFYYCHKMRS-HRAATJIYSA-N 2 0 321.468 2.900 20 0 DFADRP C[C@H]([NH2+][C@H]1CCC[C@@H]([NH3+])C1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000423384342 429080166 /nfs/dbraw/zinc/08/01/66/429080166.db2.gz KYODCTODYIKHLR-QEORTHHSSA-N 2 0 316.449 2.891 20 0 DFADRP CC1(C)CCC[NH2+][C@H]1C(=O)NCCCCC[NH+]1CCCCC1 ZINC000423404505 429080592 /nfs/dbraw/zinc/08/05/92/429080592.db2.gz IUEBBOUBHBPRGN-INIZCTEOSA-N 2 0 309.498 2.537 20 0 DFADRP COc1cc(C)c(C[C@H](C)[NH2+][C@@H]2CC[NH2+]C[C@@H]2C)cc1OC ZINC000423407428 429080817 /nfs/dbraw/zinc/08/08/17/429080817.db2.gz VTSKGGZUOKVCIZ-OFQRWUPVSA-N 2 0 306.450 2.531 20 0 DFADRP C[NH2+][C@H](C)CN[C@@H]1CCCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000423404942 429080879 /nfs/dbraw/zinc/08/08/79/429080879.db2.gz YJYWYFROLCZJFW-VBSBHUPXSA-N 2 0 315.505 2.875 20 0 DFADRP COCC1(C[NH2+][C@H](Cc2ccc(C)cc2)C2CC2)CC[NH2+]CC1 ZINC000423407806 429081129 /nfs/dbraw/zinc/08/11/29/429081129.db2.gz NHCAUQVKHZNYGI-LJQANCHMSA-N 2 0 316.489 2.922 20 0 DFADRP Cc1ccsc1[C@H](C)[NH2+]C[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000423400742 429081590 /nfs/dbraw/zinc/08/15/90/429081590.db2.gz XCQRYNASQZIVOT-RYUDHWBXSA-N 2 0 321.412 2.543 20 0 DFADRP COc1ccc([C@H](C)[NH2+][C@@H]2CCC[C@H]([NH3+])C2)cc1NC(C)=O ZINC000423406903 429082447 /nfs/dbraw/zinc/08/24/47/429082447.db2.gz ZIORHZHOZNGJRW-TUKIKUTGSA-N 2 0 305.422 2.574 20 0 DFADRP COC[C@]1(C[NH2+][C@H]2CCC[C@@H](c3ncccc3C)C2)CCC[NH2+]1 ZINC000423414452 429083602 /nfs/dbraw/zinc/08/36/02/429083602.db2.gz MYABDWVPXWVNAX-ZIFCJYIRSA-N 2 0 317.477 2.774 20 0 DFADRP COCC1(C[NH2+][C@H](C)c2cnc3ccsc3c2)CC[NH2+]CC1 ZINC000423411823 429083638 /nfs/dbraw/zinc/08/36/38/429083638.db2.gz VJFKMQSMEGRYKA-CYBMUJFWSA-N 2 0 319.474 2.963 20 0 DFADRP CCCCO[C@H]1C[C@H]([NH2+]CC2(COC)CC[NH2+]CC2)C1(C)C ZINC000423413741 429083766 /nfs/dbraw/zinc/08/37/66/429083766.db2.gz ZXBIKNCDCYNNTL-HOTGVXAUSA-N 2 0 312.498 2.576 20 0 DFADRP CC[N@@H+]1CC[C@H](N(C)C(=O)c2ccc([C@@H](C)[NH3+])cc2)C[C@H]1C ZINC000423422324 429085130 /nfs/dbraw/zinc/08/51/30/429085130.db2.gz KXRPTQPHGXKIIT-CPUCHLNUSA-N 2 0 303.450 2.651 20 0 DFADRP COC[C@]1(C[NH2+][C@H](C)[C@H]2C[C@@H]2c2ccc(OC)cc2)CCC[NH2+]1 ZINC000423417546 429085204 /nfs/dbraw/zinc/08/52/04/429085204.db2.gz SPLGOFIAGLLNCI-UTRMSSBJSA-N 2 0 318.461 2.545 20 0 DFADRP CN1CC[C@@H]([NH2+][C@@H]2C[C@H]2C2CC[NH2+]CC2)C[C@@H]1c1ccccc1 ZINC000423424086 429085663 /nfs/dbraw/zinc/08/56/63/429085663.db2.gz CLJWLFNMPLHZAK-IYWMVGAKSA-N 2 0 313.489 2.800 20 0 DFADRP C[C@H]([NH2+]C[C@H]1CC[C@H](C[NH3+])CC1)c1ccc(S(C)(=O)=O)cc1 ZINC000423426943 429085845 /nfs/dbraw/zinc/08/58/45/429085845.db2.gz PXPSHETZWMOZTC-KKUMJFAQSA-N 2 0 324.490 2.506 20 0 DFADRP C[C@@H](CCCC[NH3+])[NH2+][C@@H](c1ccc(F)cc1)c1cnccn1 ZINC000423425747 429086111 /nfs/dbraw/zinc/08/61/11/429086111.db2.gz HBIGOWXFVJMOOG-GUYCJALGSA-N 2 0 302.397 2.812 20 0 DFADRP C/C=C\COc1ccc(CC[C@H](C)[NH2+]C2[C@H]3C[NH2+]C[C@@H]23)cc1 ZINC000423418785 429086182 /nfs/dbraw/zinc/08/61/82/429086182.db2.gz AFLMHCCCZKMBJK-AJYFMTEUSA-N 2 0 300.446 2.770 20 0 DFADRP COC(=O)CCC[C@@H]1CCC[C@H]([NH2+][C@@H]2C[C@H]2C2CC[NH2+]CC2)C1 ZINC000423433554 429086448 /nfs/dbraw/zinc/08/64/48/429086448.db2.gz JZVMRCJEFCJMOD-LEUOFYLZSA-N 2 0 322.493 2.866 20 0 DFADRP C[C@@H]1C[C@H]([NH2+][C@@H]2C[C@H]2C2CC[NH2+]CC2)CN1Cc1ccccc1 ZINC000423437468 429086640 /nfs/dbraw/zinc/08/66/40/429086640.db2.gz MFUZRKPOABOBCM-XFWGSAIBSA-N 2 0 313.489 2.627 20 0 DFADRP Cc1ccc([C@H]([NH2+]C[C@H]2C[NH2+]C[C@H]2O)C2CCCCC2)cc1 ZINC000423431440 429086664 /nfs/dbraw/zinc/08/66/64/429086664.db2.gz QNCFZHSSQKKRQJ-GUDVDZBRSA-N 2 0 302.462 2.786 20 0 DFADRP O=C(NC[C@H]1CCCC[N@@H+]1C1CC1)[C@H]1CCC[NH+]1C1CCCC1 ZINC000434448992 429088701 /nfs/dbraw/zinc/08/87/01/429088701.db2.gz UKDBQSMVCRBRLI-QZTJIDSGSA-N 2 0 319.493 2.527 20 0 DFADRP C[C@@H](c1nc2ccccc2s1)[C@H](C)[NH2+]C[C@@H]1C[NH2+]CCCO1 ZINC000423492597 429098172 /nfs/dbraw/zinc/09/81/72/429098172.db2.gz NUSYHFBMOBUMLF-RDBSUJKOSA-N 2 0 319.474 2.756 20 0 DFADRP C[NH+](C)CC(C)(C)CNC(=O)CC[C@H]([NH3+])CC1CCCCC1 ZINC000424144668 429098762 /nfs/dbraw/zinc/09/87/62/429098762.db2.gz XTDCTQTVEODDNM-INIZCTEOSA-N 2 0 311.514 2.768 20 0 DFADRP C[C@H](CNC(=O)CC[C@H]([NH3+])CC1CCCCC1)[N@H+](C)C1CC1 ZINC000424143229 429099159 /nfs/dbraw/zinc/09/91/59/429099159.db2.gz FNTNQDFFPMTFMQ-ZBFHGGJFSA-N 2 0 309.498 2.663 20 0 DFADRP C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1CC[C@@H](C[NH3+])C1 ZINC000423493442 429099880 /nfs/dbraw/zinc/09/98/80/429099880.db2.gz QBLOHOFQLUIQNG-OWYHZJEWSA-N 2 0 301.478 2.614 20 0 DFADRP CC[N@@H+]1CCC[C@H](NC(=O)CC[C@H]([NH3+])CC2CCCCC2)C1 ZINC000424156195 429100290 /nfs/dbraw/zinc/10/02/90/429100290.db2.gz NZJPULVYHDPODL-IRXDYDNUSA-N 2 0 309.498 2.665 20 0 DFADRP C[N@@H+]1CC[C@H](N[C@H](C[NH3+])C2CCCC2)C[C@@H]1c1ccccc1 ZINC000423506201 429100840 /nfs/dbraw/zinc/10/08/40/429100840.db2.gz OWXZYIGUOVBSPY-IPMKNSEASA-N 2 0 301.478 2.929 20 0 DFADRP CC[N@@H+]1CCC[C@@H](NC(=O)CC[C@@H]([NH3+])CC2CCCCC2)C1 ZINC000424156194 429101125 /nfs/dbraw/zinc/10/11/25/429101125.db2.gz NZJPULVYHDPODL-IAGOWNOFSA-N 2 0 309.498 2.665 20 0 DFADRP COc1cccc(C[C@@H](C2CC2)[N@@H+]2C[C@@H](C)[C@](C)(C[NH3+])C2)c1 ZINC000423512944 429102776 /nfs/dbraw/zinc/10/27/76/429102776.db2.gz QVGFXMIHXBOAPT-MDASCCDHSA-N 2 0 302.462 2.933 20 0 DFADRP C[N@@H+]1CC[C@@H]2CCN(C(=O)CC[C@H]([NH3+])CC3CCCCC3)[C@@H]2C1 ZINC000424175343 429103962 /nfs/dbraw/zinc/10/39/62/429103962.db2.gz PRPFQPYAWFDBLO-FGTMMUONSA-N 2 0 321.509 2.617 20 0 DFADRP COc1ccccc1[C@@H](C)[NH2+]C1CCC([NH+]2CCNCC2)CC1 ZINC000423519808 429105660 /nfs/dbraw/zinc/10/56/60/429105660.db2.gz QOVQSPPGHOAWTP-KLAILNCOSA-N 2 0 317.477 2.562 20 0 DFADRP [NH3+]C1(C[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)C2CC3CC(C2)CC1C3 ZINC000423520606 429106621 /nfs/dbraw/zinc/10/66/21/429106621.db2.gz FFHOZZKRRRZHKQ-NFHVVUEESA-N 2 0 316.489 2.687 20 0 DFADRP [NH3+]C1(C[NH2+][C@H]2[C@H]3CCO[C@H]3C23CCC3)C2CC3CC(C2)CC1C3 ZINC000423520605 429106719 /nfs/dbraw/zinc/10/67/19/429106719.db2.gz FFHOZZKRRRZHKQ-LGFJZOCGSA-N 2 0 316.489 2.687 20 0 DFADRP [NH3+][C@@H](CCC(=O)N[C@@H]1C[C@H]1C1CC[NH2+]CC1)CC1CCCCC1 ZINC000424179169 429107151 /nfs/dbraw/zinc/10/71/51/429107151.db2.gz SNNNFBLXNYCVTA-OKZBNKHCSA-N 2 0 321.509 2.569 20 0 DFADRP CCCCOCC[N@H+](C)C[C@@H]1CCN(C)[C@H]1c1cccnc1 ZINC000434742461 429109252 /nfs/dbraw/zinc/10/92/52/429109252.db2.gz OCMLXGRKEMQUMO-ROUUACIJSA-N 2 0 305.466 2.823 20 0 DFADRP COC[C@@H]([NH2+]CC1([NH3+])C2CC3CC(C2)CC1C3)C1CCCC1 ZINC000423532068 429110416 /nfs/dbraw/zinc/11/04/16/429110416.db2.gz UKFFGNHAXLNGCT-XQPWLTOXSA-N 2 0 306.494 2.935 20 0 DFADRP C[C@H]([NH2+]CC1(N)CC[NH+](Cc2ccccc2)CC1)[C@@H]1C[C@H]1C ZINC000423533020 429111493 /nfs/dbraw/zinc/11/14/93/429111493.db2.gz WJAUVCCXDVBDPC-SOLBZPMBSA-N 2 0 301.478 2.614 20 0 DFADRP CCC[NH+](CCC)CCCC(=O)N1CC[C@H]([NH+]2CCCC2)[C@@H]1C ZINC000376419699 429111665 /nfs/dbraw/zinc/11/16/65/429111665.db2.gz GKMHUDLCIIRANN-ROUUACIJSA-N 2 0 323.525 2.974 20 0 DFADRP CO[C@H]1C[C@H]2C[C@@H]([NH2+]CCN(C)Cc3ccccc3)C[C@H]2C1 ZINC000424256544 429114331 /nfs/dbraw/zinc/11/43/31/429114331.db2.gz ANLRCAXEZHJRPA-QGFMHUBQSA-N 2 0 302.462 2.912 20 0 DFADRP Cn1c2ccccc2nc1C[N@@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000376668808 429156628 /nfs/dbraw/zinc/15/66/28/429156628.db2.gz AAURYPXASYMNKY-UHFFFAOYSA-N 2 0 312.461 2.881 20 0 DFADRP CN(CC[C@@H]1CCCC[N@@H+]1C)C[C@@H](C[NH3+])c1ccc(F)cc1 ZINC000424278711 429119067 /nfs/dbraw/zinc/11/90/67/429119067.db2.gz DYOUDQSAFSPQPL-AEFFLSMTSA-N 2 0 307.457 2.674 20 0 DFADRP CC(=O)Nc1cccc(C[N@H+]2CC3(C[C@@H]2C)CC[NH2+]CC3)c1 ZINC000424287015 429119903 /nfs/dbraw/zinc/11/99/03/429119903.db2.gz IBSHEWRPBOFMQN-AWEZNQCLSA-N 2 0 301.434 2.609 20 0 DFADRP CCN(C(=O)C[N@@H+]1CC2(C[C@H]1C)CC[NH2+]CC2)C1CCCCC1 ZINC000424285685 429120100 /nfs/dbraw/zinc/12/01/00/429120100.db2.gz GFWBAIUBFHCZNE-MRXNPFEDSA-N 2 0 321.509 2.632 20 0 DFADRP C[C@H]1CC2(C[N@@H+]1Cc1cc3ccccc3[nH]c1=O)CC[NH2+]CC2 ZINC000424293006 429120825 /nfs/dbraw/zinc/12/08/25/429120825.db2.gz PFIVKFRCYDNNGZ-AWEZNQCLSA-N 2 0 311.429 2.904 20 0 DFADRP COc1ccccc1OCC[N@@H+]1CC2(C[C@@H]1C)CC[NH2+]CC2 ZINC000424295910 429121430 /nfs/dbraw/zinc/12/14/30/429121430.db2.gz RQAAOTACTWFFRT-HNNXBMFYSA-N 2 0 304.434 2.538 20 0 DFADRP CC(C)CCC[C@H](C)NC(=O)C[N@@H+]1CC2(C[C@H]1C)CC[NH2+]CC2 ZINC000424297385 429121535 /nfs/dbraw/zinc/12/15/35/429121535.db2.gz SNIJMYNOXHGBIQ-DLBZAZTESA-N 2 0 323.525 2.781 20 0 DFADRP CO[C@H](C)c1nc(C[N@@H+]2CC3(C[C@H]2C)CC[NH2+]CC3)cs1 ZINC000424292951 429121793 /nfs/dbraw/zinc/12/17/93/429121793.db2.gz OYTZEJKIGLVFTM-CHWSQXEVSA-N 2 0 309.479 2.815 20 0 DFADRP CCOC(=O)CC(C)(C)CC[N@@H+]1C[C@@H]2C[NH+]3CCCC[C@@H]3[C@@H]2C1 ZINC000376515937 429126468 /nfs/dbraw/zinc/12/64/68/429126468.db2.gz WDJNLQLUJTWFTH-BRWVUGGUSA-N 2 0 322.493 2.772 20 0 DFADRP CC[NH+](CC)CCSCc1nc(C2([NH3+])CCCCC2)no1 ZINC000424351768 429130062 /nfs/dbraw/zinc/13/00/62/429130062.db2.gz ZSGLMGIRLQIQRJ-UHFFFAOYSA-N 2 0 312.483 2.763 20 0 DFADRP C[C@H](N[C@@H]1CCCC[C@H]1[NH3+])[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000424378160 429131070 /nfs/dbraw/zinc/13/10/70/429131070.db2.gz SJHUJGBQTFCHOG-JCHJZTRSSA-N 2 0 301.478 2.757 20 0 DFADRP CC(=O)Nc1ccc(C[N@H+]2CC3(C[C@@H]2C)CC[NH2+]CC3)cc1 ZINC000424368517 429132234 /nfs/dbraw/zinc/13/22/34/429132234.db2.gz AFUFGRNBMRKITD-AWEZNQCLSA-N 2 0 301.434 2.609 20 0 DFADRP CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)CC[C@H]2CCC[NH2+]2)C1 ZINC000494642833 429133723 /nfs/dbraw/zinc/13/37/23/429133723.db2.gz KYSXHGFRFUOMES-HZPDHXFCSA-N 2 0 309.498 2.535 20 0 DFADRP COCCOc1ccc(C[N@@H+]2CC3(C[C@@H]2C)CC[NH2+]CC3)cc1 ZINC000424382796 429134340 /nfs/dbraw/zinc/13/43/40/429134340.db2.gz STKWTFXFXUMHAJ-INIZCTEOSA-N 2 0 318.461 2.676 20 0 DFADRP COc1ccc(C[N@@H+]2CC3(C[C@@H]2C)CC[NH2+]CC3)cc1OC ZINC000424388621 429134619 /nfs/dbraw/zinc/13/46/19/429134619.db2.gz ZKRLXXUNZCVLMO-AWEZNQCLSA-N 2 0 304.434 2.668 20 0 DFADRP CCCn1nc(C)c(C[N@@H+]2CC3(C[C@@H]2C)CC[NH2+]CC3)c1C ZINC000424378889 429134686 /nfs/dbraw/zinc/13/46/86/429134686.db2.gz ODYBLPITPRABPR-AWEZNQCLSA-N 2 0 304.482 2.874 20 0 DFADRP COc1ccc(-c2ccncc2)cc1C[N@@H+]1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000435377701 429136240 /nfs/dbraw/zinc/13/62/40/429136240.db2.gz FJZGXDUCUZQVNI-UHOSZYNNSA-N 2 0 323.440 2.926 20 0 DFADRP CC(C)c1nccn1[C@H]1CCCN([C@H](C)c2nncn2C)C1 ZINC000376558574 429136745 /nfs/dbraw/zinc/13/67/45/429136745.db2.gz OZGCCRNNHALDFW-KGLIPLIRSA-N 2 0 302.426 2.533 20 0 DFADRP CC[N@H+](Cc1cc(OC)c(OC)c(OC)c1)[C@H]1CCC[NH2+]CC1 ZINC000435388955 429136903 /nfs/dbraw/zinc/13/69/03/429136903.db2.gz IJZPQEQWMLPLPK-HNNXBMFYSA-N 2 0 322.449 2.676 20 0 DFADRP Cc1cc(C[NH3+])cc(NC(=O)N[C@H](C)C[N@@H+]2CCC[C@@H](C)C2)c1 ZINC000424448466 429142238 /nfs/dbraw/zinc/14/22/38/429142238.db2.gz XZTWFNGIZFTVMP-UKRRQHHQSA-N 2 0 318.465 2.696 20 0 DFADRP CC(=O)NCc1ccc([C@H]2CCCN2CCC[NH+]2CCCC2)o1 ZINC000364055531 429163678 /nfs/dbraw/zinc/16/36/78/429163678.db2.gz KPPAPDQCKMYGLO-QGZVFWFLSA-N 2 0 319.449 2.539 20 0 DFADRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@@H]1C[C@@]1(C)c1cccs1 ZINC000364055692 429164638 /nfs/dbraw/zinc/16/46/38/429164638.db2.gz JKSNESRBXFLJEX-JJRVBVJISA-N 2 0 320.506 2.624 20 0 DFADRP COCC[N@H+](C)CCCC1CC[NH+](C[C@@H]2CCSC2)CC1 ZINC000494930901 429164644 /nfs/dbraw/zinc/16/46/44/429164644.db2.gz NEMQCCUFWFVNNF-KRWDZBQOSA-N 2 0 314.539 2.810 20 0 DFADRP O[C@@H]1CCC[C@@H]1[NH+]1CCC([NH2+][C@@H]2CCc3cc(F)ccc32)CC1 ZINC000271499256 275053412 /nfs/dbraw/zinc/05/34/12/275053412.db2.gz LSZCYZQLWQPKGU-CEXWTWQISA-N 2 0 318.436 2.780 20 0 DFADRP CC[N@H+](CCC1CC[NH+](Cc2ccnc(N)c2)CC1)CC1CC1 ZINC000488095685 429176144 /nfs/dbraw/zinc/17/61/44/429176144.db2.gz CIGZOKDHMJCUEN-UHFFFAOYSA-N 2 0 316.493 2.998 20 0 DFADRP O=C1Nc2ccccc2[C@@H]1C1CC[NH+](CCCn2ccnc2)CC1 ZINC000364287124 429176345 /nfs/dbraw/zinc/17/63/45/429176345.db2.gz AJMWWGGTORGSEA-SFHVURJKSA-N 2 0 324.428 2.721 20 0 DFADRP CC(C)OC(=O)CC[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000364343611 429187114 /nfs/dbraw/zinc/18/71/14/429187114.db2.gz OZRKNKABDRZJNH-WMZOPIPTSA-N 2 0 318.461 2.828 20 0 DFADRP CCO[C@H](CC[NH+](C)C)C[NH2+]Cc1c[nH]nc1-c1ccsc1 ZINC000436285346 429193911 /nfs/dbraw/zinc/19/39/11/429193911.db2.gz OCWHPUCFAGZOGP-OAHLLOKOSA-N 2 0 322.478 2.585 20 0 DFADRP C(NC1CC[NH+](C2CCCC2)CC1)[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000370083995 275394509 /nfs/dbraw/zinc/39/45/09/275394509.db2.gz SZLTXTYQYBMDBP-IBGZPJMESA-N 2 0 305.510 3.000 20 0 DFADRP C[N@@H+]1CCC[C@@H](N2CCN(Cc3ccc(Cl)cc3)CC2)C1 ZINC000364542322 429222143 /nfs/dbraw/zinc/22/21/43/429222143.db2.gz GUDNHBVRWZNMLB-QGZVFWFLSA-N 2 0 307.869 2.552 20 0 DFADRP CC[C@H](C(=O)N[C@@H](C[NH+](C)C)c1ccc(F)cc1)[NH+](CC)CC ZINC000488888664 429204481 /nfs/dbraw/zinc/20/44/81/429204481.db2.gz IXZCOBKWSQJFQM-DLBZAZTESA-N 2 0 323.456 2.665 20 0 DFADRP C[C@H]1C[C@@H](CNC(=[NH2+])N(C)C2CC2)C[N@@H+]1Cc1ccccc1 ZINC000364637555 429239014 /nfs/dbraw/zinc/23/90/14/429239014.db2.gz ZBPOVZGKROYQDJ-HOCLYGCPSA-N 2 0 300.450 2.516 20 0 DFADRP COc1cc(C[N@@H+]2CCC[C@@H](CC[NH3+])C2)c(SC)cc1OC ZINC000442931682 429241541 /nfs/dbraw/zinc/24/15/41/429241541.db2.gz WKBFTPZSPWTYBR-ZDUSSCGKSA-N 2 0 324.490 2.987 20 0 DFADRP Cc1ncc(CN2CC[C@H]([NH2+]C[C@@H]3CCC=CO3)[C@@H](C)C2)s1 ZINC000364764663 429263514 /nfs/dbraw/zinc/26/35/14/429263514.db2.gz PHOBSRHZWNFSID-QRTARXTBSA-N 2 0 321.490 2.944 20 0 DFADRP CC[N@H+](Cc1ccc(C(=O)NCC[C@H]2CCC[NH2+]2)cc1)C(C)C ZINC000444260924 429268004 /nfs/dbraw/zinc/26/80/04/429268004.db2.gz VOBZYNGWBQLFQP-GOSISDBHSA-N 2 0 317.477 2.789 20 0 DFADRP Cc1ccccc1[C@@H]([NH3+])C(=O)NCCCC[NH+]1CCC(C)CC1 ZINC000449083346 429327804 /nfs/dbraw/zinc/32/78/04/429327804.db2.gz BLPBEWKZLSPHRX-GOSISDBHSA-N 2 0 317.477 2.623 20 0 DFADRP C[NH2+][C@@H](CC(C)(C)C)C(=O)NCCCC[N@@H+]1CCC[C@@H](C)C1 ZINC000449085160 429327812 /nfs/dbraw/zinc/32/78/12/429327812.db2.gz KUWRCZVZSFDTKE-CVEARBPZSA-N 2 0 311.514 2.639 20 0 DFADRP CC[N@@H+]1CC[C@@H](C[NH2+]Cc2cn(C)nc2-c2ccc(F)cc2)C1 ZINC000449090773 429329604 /nfs/dbraw/zinc/32/96/04/429329604.db2.gz ODPAEZWHEDGPMX-AWEZNQCLSA-N 2 0 316.424 2.658 20 0 DFADRP CC[N@@H+]1CC[C@H](C[NH2+]Cc2ccc3c(c2)OCCCCO3)C1 ZINC000449091949 429330046 /nfs/dbraw/zinc/33/00/46/429330046.db2.gz RXOZSVVOZUJDBR-MRXNPFEDSA-N 2 0 304.434 2.669 20 0 DFADRP C[NH2+][C@@H](CC(C)(C)C)C(=O)NC[C@@H](c1ccc(C)cc1)[NH+](C)C ZINC000449105040 429333538 /nfs/dbraw/zinc/33/35/38/429333538.db2.gz BVLHHYXXUHUVTM-IRXDYDNUSA-N 2 0 319.493 2.738 20 0 DFADRP C[C@@H]1CC[C@H](C)[C@@H]([NH2+]C2CCN(C3CC[NH+](C)CC3)CC2)C1 ZINC000449104596 429333764 /nfs/dbraw/zinc/33/37/64/429333764.db2.gz ANHMVKAGAUDFKO-GJYPPUQNSA-N 2 0 307.526 2.959 20 0 DFADRP C[NH+]1CCN(c2ncccc2C[NH2+][C@H]2CCCC23CCC3)CC1 ZINC000449108048 429335260 /nfs/dbraw/zinc/33/52/60/429335260.db2.gz SAZVRDJOMBBCNP-KRWDZBQOSA-N 2 0 314.477 2.646 20 0 DFADRP Cc1nc(CN2CCC(C[NH2+][C@H]3CSC[C@H]3C)CC2)oc1C ZINC000449120311 429337039 /nfs/dbraw/zinc/33/70/39/429337039.db2.gz CMJMNSVGDFYRKW-WBMJQRKESA-N 2 0 323.506 2.845 20 0 DFADRP CC[C@@H]([NH2+]Cc1cccc(C(=O)NCC[NH+](C)C)c1)C1CCC1 ZINC000449115745 429337086 /nfs/dbraw/zinc/33/70/86/429337086.db2.gz ILUHGYBHRMCJBX-GOSISDBHSA-N 2 0 317.477 2.646 20 0 DFADRP C[C@H](Cc1coc2ccccc12)[NH2+][C@@H](C)CN1CC[NH+](C)CC1 ZINC000449126795 429338187 /nfs/dbraw/zinc/33/81/87/429338187.db2.gz VUUWKCLKKBKQNQ-CVEARBPZSA-N 2 0 315.461 2.589 20 0 DFADRP CC(C)CC[C@@H]1CC[C@H]([NH2+]CCC[N@@H+]2CCC[C@@H](C(N)=O)C2)C1 ZINC000449134705 429340785 /nfs/dbraw/zinc/34/07/85/429340785.db2.gz KXEDNDZUIGGTJG-KURKYZTESA-N 2 0 323.525 2.768 20 0 DFADRP c1cn2c(n1)C[C@H](C[NH2+]Cc1coc(-c3ccccc3)n1)CC2 ZINC000365554369 429341023 /nfs/dbraw/zinc/34/10/23/429341023.db2.gz KPHZBSOFBSCYQX-CQSZACIVSA-N 2 0 308.385 2.890 20 0 DFADRP OC[C@@H]1CCc2ccccc2[C@H]1[NH2+]CCC[NH+]1CCCCC1 ZINC000365267192 429291793 /nfs/dbraw/zinc/29/17/93/429291793.db2.gz NMWJYEPLEIIHJE-HKUYNNGSSA-N 2 0 302.462 2.748 20 0 DFADRP C[C@H](C[N@@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@H](C)C1)c1ccccc1 ZINC000490632807 429298705 /nfs/dbraw/zinc/29/87/05/429298705.db2.gz UWMKUJYZYMFOGV-GGPKGHCWSA-N 2 0 315.505 2.748 20 0 DFADRP C[N@@H+]1CCC[C@H]1CCN1C[C@@H]2CC[NH+](Cc3ccccc3)[C@@H]2C1 ZINC000425500824 429309632 /nfs/dbraw/zinc/30/96/32/429309632.db2.gz MTEZVFNHCPVSQM-SLFFLAALSA-N 2 0 313.489 2.677 20 0 DFADRP CCOC(=O)c1cc(C[NH2+]CCC2CC[NH+](CC)CC2)[nH]c1C ZINC000449171724 429348440 /nfs/dbraw/zinc/34/84/40/429348440.db2.gz UGMWZCVHGYMJTD-UHFFFAOYSA-N 2 0 321.465 2.711 20 0 DFADRP Cc1cnc([C@@H](C)C[NH2+]Cc2cc(C3CC[NH2+]CC3)no2)s1 ZINC000425894761 429349275 /nfs/dbraw/zinc/34/92/75/429349275.db2.gz GXRKOFZPNHXXQQ-NSHDSACASA-N 2 0 320.462 2.800 20 0 DFADRP CC(C)C[C@@H]1C[C@H]([NH2+]Cc2cc(C3CC[NH2+]CC3)no2)CCO1 ZINC000425894415 429349423 /nfs/dbraw/zinc/34/94/23/429349423.db2.gz GLIKTEVPGNMMGX-HZPDHXFCSA-N 2 0 321.465 2.825 20 0 DFADRP c1c(C[NH2+]CC2Cc3ccccc3C2)onc1C1CC[NH2+]CC1 ZINC000425893354 429349436 /nfs/dbraw/zinc/34/94/36/429349436.db2.gz DKBBKXBGIVMVHY-UHFFFAOYSA-N 2 0 311.429 2.646 20 0 DFADRP Cc1nc(CC[NH2+]Cc2cc(C3CC[NH2+]CC3)no2)sc1C ZINC000425895423 429350989 /nfs/dbraw/zinc/35/09/89/429350989.db2.gz ILMQTMOWEXPYHR-UHFFFAOYSA-N 2 0 320.462 2.547 20 0 DFADRP CC(C)(C[NH2+]Cc1cc(C2CC[NH2+]CC2)no1)c1cccnc1 ZINC000425896792 429351850 /nfs/dbraw/zinc/35/18/50/429351850.db2.gz QWZHYASPPANLCP-UHFFFAOYSA-N 2 0 314.433 2.604 20 0 DFADRP C[NH2+][C@H](CC(C)(C)C)C(=O)Nc1ncc(C2CC[NH2+]CC2)s1 ZINC000449194708 429355190 /nfs/dbraw/zinc/35/51/90/429355190.db2.gz XXFMLNKBIUKXCQ-GFCCVEGCSA-N 2 0 324.494 2.573 20 0 DFADRP COc1cccc2c1CC[C@@H]([NH2+]CCN1CC=C(C)CC1)C2 ZINC000426042252 429360548 /nfs/dbraw/zinc/36/05/48/429360548.db2.gz JFBFYWOYIBGVNK-QGZVFWFLSA-N 2 0 300.446 2.794 20 0 DFADRP CCC[NH+]1CCC([NH2+]CCN(CC)CCC(F)(F)F)CC1 ZINC000426035328 429360597 /nfs/dbraw/zinc/36/05/97/429360597.db2.gz JDQPRLJKDXGFAY-UHFFFAOYSA-N 2 0 309.420 2.725 20 0 DFADRP Cc1cccc(CC[NH2+]Cc2ccnc(OCC[NH+](C)C)c2)c1 ZINC000449226544 429361901 /nfs/dbraw/zinc/36/19/01/429361901.db2.gz XXJLEJUCKTYELR-UHFFFAOYSA-N 2 0 313.445 2.663 20 0 DFADRP CCn1nnc(C)c1C[NH+]1CCC(CCC[NH+](CC)CC)CC1 ZINC000449235513 429364159 /nfs/dbraw/zinc/36/41/59/429364159.db2.gz UYTXOFKTVHJULZ-UHFFFAOYSA-N 2 0 321.513 2.940 20 0 DFADRP CC[C@@H]([NH2+]Cc1ccccc1C[N@@H+]1CC[C@H](O)C1)C1CCC1 ZINC000449236043 429364188 /nfs/dbraw/zinc/36/41/88/429364188.db2.gz WMAYLBRQAHZXBT-RBUKOAKNSA-N 2 0 302.462 2.922 20 0 DFADRP Cc1cccc(C[NH2+]C(C)(C)CCN2CC[NH+](C)CC2)c1F ZINC000449246085 429365457 /nfs/dbraw/zinc/36/54/57/429365457.db2.gz AKADEPAEENCAHZ-UHFFFAOYSA-N 2 0 307.457 2.640 20 0 DFADRP C[NH+]1CCN(CCC(C)(C)[NH2+]Cc2cccc3ccoc32)CC1 ZINC000449253746 429367791 /nfs/dbraw/zinc/36/77/91/429367791.db2.gz ZUNAJNXPDOXSQC-UHFFFAOYSA-N 2 0 315.461 2.939 20 0 DFADRP CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)[C@@H]2CCC[NH+]2C2CC2)C1 ZINC000426294278 429380397 /nfs/dbraw/zinc/38/03/97/429380397.db2.gz SWUSWCOQIYRRKQ-RDJZCZTQSA-N 2 0 321.509 2.630 20 0 DFADRP C[C@@H]([NH2+][C@H]1CN(C2CC2)C[C@H]1C)[C@@H]1OCCc2sccc21 ZINC000426307999 429380778 /nfs/dbraw/zinc/38/07/78/429380778.db2.gz UOKAFGAHCJXOLO-LVRJZDEYSA-N 2 0 306.475 2.823 20 0 DFADRP CC(C)c1nnc(CC[NH2+][C@@H]2CC[N@H+](C)[C@H]3CCC[C@@H]32)s1 ZINC000426290605 429381628 /nfs/dbraw/zinc/38/16/28/429381628.db2.gz PSDCDAOKWFWRCN-MCIONIFRSA-N 2 0 308.495 2.666 20 0 DFADRP CC(C)[C@@H](C(=O)NC[C@@H]1CCC[N@@H+]1CC1CCCCC1)[NH+](C)C ZINC000426392603 429387853 /nfs/dbraw/zinc/38/78/53/429387853.db2.gz XPBOIMKHJWUCCD-ROUUACIJSA-N 2 0 323.525 2.734 20 0 DFADRP C[C@H]1CCC[C@H](C)[NH+]1CCNC(=O)C1(C[NH+](C)C)CCCCC1 ZINC000426404169 429388446 /nfs/dbraw/zinc/38/84/46/429388446.db2.gz HMEWRFUHZMULLN-IRXDYDNUSA-N 2 0 323.525 2.878 20 0 DFADRP C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)C[C@@H]1CCCC[C@@H]1[NH3+] ZINC000449326433 429388667 /nfs/dbraw/zinc/38/86/67/429388667.db2.gz VTMHAWZLKIVULZ-IKGGRYGDSA-N 2 0 309.498 2.665 20 0 DFADRP [NH3+][C@H]1CCCC[C@@H]1CC(=O)NC1CC[NH+](CC2CCCC2)CC1 ZINC000449333162 429389237 /nfs/dbraw/zinc/38/92/37/429389237.db2.gz AKFOCAIPPSHXAB-AEFFLSMTSA-N 2 0 321.509 2.665 20 0 DFADRP CCCC[N@H+](C)CC1CCN(C(=O)[C@@H]2CCC[NH+]2C2CC2)CC1 ZINC000426414543 429390555 /nfs/dbraw/zinc/39/05/55/429390555.db2.gz BSAYLPXVVVRKSH-SFHVURJKSA-N 2 0 321.509 2.584 20 0 DFADRP CC[NH+](CC)CCC[C@H](C)NC(=O)C1C[NH+](C2CCCCC2)C1 ZINC000457468692 429470546 /nfs/dbraw/zinc/47/05/46/429470546.db2.gz ZNTXGJJCWYFLQU-INIZCTEOSA-N 2 0 323.525 2.878 20 0 DFADRP CC(C)[C@@H]1CCC[C@H]([NH2+][C@@H]2CCN(C3CC[NH+](C)CC3)C2)C1 ZINC000373392963 275678901 /nfs/dbraw/zinc/67/89/01/275678901.db2.gz KNAWYTMPEMHQNM-FGTMMUONSA-N 2 0 307.526 2.959 20 0 DFADRP C[C@@H]1CCC[N@H+](CCCCNC(=O)[C@@H]2CCCCCC[C@@H]2[NH3+])C1 ZINC000518970745 429441615 /nfs/dbraw/zinc/44/16/15/429441615.db2.gz NTNJTVPDMRDIDZ-KURKYZTESA-N 2 0 323.525 2.912 20 0 DFADRP C[C@H]1CCCC[N@@H+]1Cc1ccc(NC(=O)C[C@H]2CC[NH2+]C2)cc1 ZINC000427277871 429441757 /nfs/dbraw/zinc/44/17/57/429441757.db2.gz UEKKCVCDVJOAOV-DOTOQJQBSA-N 2 0 315.461 2.999 20 0 DFADRP C[NH+]1CCC(CC(=O)NC[C@H]2CCC[N@@H+]2C2CCCCC2)CC1 ZINC000366254896 429442416 /nfs/dbraw/zinc/44/24/16/429442416.db2.gz IYQWMHXIFOQKED-GOSISDBHSA-N 2 0 321.509 2.632 20 0 DFADRP COc1cc(C[NH+]2CCC(N3CCOC[C@@H]3C)CC2)ccc1C ZINC000518996122 429444129 /nfs/dbraw/zinc/44/41/29/429444129.db2.gz SWFJBJSASDPJRO-INIZCTEOSA-N 2 0 318.461 2.689 20 0 DFADRP CCc1oc(C[NH2+]C(C)(C)CCC[NH+](C)C)cc1C(=O)OC ZINC000449529738 429445957 /nfs/dbraw/zinc/44/59/57/429445957.db2.gz ZLHMRSFHZIWMIZ-UHFFFAOYSA-N 2 0 310.438 2.839 20 0 DFADRP C[C@H]([NH2+]CCc1ccc(Br)cc1)[C@@H]1CCC[NH2+]C1 ZINC000519138329 429448511 /nfs/dbraw/zinc/44/85/11/429448511.db2.gz WJOMMJIMABZRFL-GXTWGEPZSA-N 2 0 311.267 2.969 20 0 DFADRP CCN1CCCC[C@@H]1C[NH2+]C1CCC(c2nc(C)no2)CC1 ZINC000366451097 429454173 /nfs/dbraw/zinc/45/41/73/429454173.db2.gz AYGPLCXBPCGDLO-UYSNPLJNSA-N 2 0 306.454 2.868 20 0 DFADRP Cc1ccc(C[NH+]2CCC(CC[NH3+])CC2)c(-c2cnn(C)c2)c1 ZINC000519408818 429457721 /nfs/dbraw/zinc/45/77/21/429457721.db2.gz JSIZFXQXPFKGEN-UHFFFAOYSA-N 2 0 312.461 2.956 20 0 DFADRP CC(C)C[C@H](CNC(=O)C[NH2+]C1CC1)[NH2+][C@H](C)c1ccccc1 ZINC000519541804 429463199 /nfs/dbraw/zinc/46/31/99/429463199.db2.gz MRWNGSSVQWIZFI-CRAIPNDOSA-N 2 0 317.477 2.620 20 0 DFADRP [NH3+][C@H]1CCC[C@H](CNC(=O)c2cccc(C[NH+]3CCCC3)c2)C1 ZINC000449642870 429468684 /nfs/dbraw/zinc/46/86/84/429468684.db2.gz HFTJPJXKFOHFDX-YJBOKZPZSA-N 2 0 315.461 2.530 20 0 DFADRP Cn1nccc1[C@@H]1CCC[C@@H]([NH2+]C2CC[NH+](CC3CC3)CC2)C1 ZINC000366070728 429413078 /nfs/dbraw/zinc/41/30/78/429413078.db2.gz ABRAQPWYAOXRIW-SJLPKXTDSA-N 2 0 316.493 2.910 20 0 DFADRP C[N@H+](CCCCNC(=O)[C@@H]1CCCC[NH+]1C1CCCC1)C1CC1 ZINC000457163118 429415885 /nfs/dbraw/zinc/41/58/85/429415885.db2.gz GOGRBGKOJLETTP-SFHVURJKSA-N 2 0 321.509 2.774 20 0 DFADRP CO[C@@H]1COCC[C@@H]1C[NH2+]C1CC[NH+]([C@@H]2CCCC[C@@H]2C)CC1 ZINC000449449900 429419837 /nfs/dbraw/zinc/41/98/37/429419837.db2.gz AERJTXJTYRWQJX-QFHJOOASSA-N 2 0 324.509 2.671 20 0 DFADRP CC[C@H]([NH3+])C[NH2+][C@@H](C)CC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000518491444 429423752 /nfs/dbraw/zinc/42/37/52/429423752.db2.gz BCFHXMLYLXHQCX-JQWIXIFHSA-N 2 0 317.355 2.749 20 0 DFADRP COc1ccc(C[C@H](C)C[N@@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)cc1F ZINC000427119741 429433928 /nfs/dbraw/zinc/43/39/28/429433928.db2.gz MFWSPELGOHPDNN-LXZKKBNFSA-N 2 0 306.425 2.697 20 0 DFADRP Cc1ccc(C[N@@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)c(-c2ccnn2C)c1 ZINC000427121470 429434060 /nfs/dbraw/zinc/43/40/60/429434060.db2.gz ITKLREDLGVXSGO-FUHWJXTLSA-N 2 0 310.445 2.579 20 0 DFADRP CC(C)C[N@@H+]1CC[C@@H](CNC(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC000427141253 429435142 /nfs/dbraw/zinc/43/51/42/429435142.db2.gz ACSDCOVZOZBBRM-KRWDZBQOSA-N 2 0 323.525 2.593 20 0 DFADRP CC(C)c1nc([C@@H]2CCCN2CCCc2cncn2C)no1 ZINC000518790947 429435670 /nfs/dbraw/zinc/43/56/70/429435670.db2.gz RUIXYTZDPPAWPC-AWEZNQCLSA-N 2 0 303.410 2.696 20 0 DFADRP CC1CCN(c2ccc(C[NH2+][C@@H]3CCC[C@@H]([NH3+])C3)cn2)CC1 ZINC000519613772 429472772 /nfs/dbraw/zinc/47/27/72/429472772.db2.gz NDTGYGSAISFFPW-IAGOWNOFSA-N 2 0 302.466 2.677 20 0 DFADRP C[N@@H+]1CCCC(C)(C)[C@@H]1CNC(=O)Nc1ccc2c(c1)C[NH2+]C2 ZINC000519747616 429484488 /nfs/dbraw/zinc/48/44/88/429484488.db2.gz HEJNHFITCBJWSL-INIZCTEOSA-N 2 0 316.449 2.532 20 0 DFADRP CC[N@@H+]1CC[C@H](N(C)C(=O)C2C[NH+](C3CCCCC3)C2)C[C@H]1C ZINC000457582221 429490417 /nfs/dbraw/zinc/49/04/17/429490417.db2.gz RSMQMMVPGUVFBO-QAPCUYQASA-N 2 0 321.509 2.582 20 0 DFADRP CC[NH+]1CCN(CC(C)(C)[NH2+]C[C@@H]2CC(C)=C[C@H](C)C2)CC1 ZINC000449747702 429494520 /nfs/dbraw/zinc/49/45/20/429494520.db2.gz XZCGQENIRLWNAQ-WMZOPIPTSA-N 2 0 307.526 2.985 20 0 DFADRP C[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+]CC2=CC[N@H+](C)CC2)CC1 ZINC000366694722 429495626 /nfs/dbraw/zinc/49/56/26/429495626.db2.gz LBICMJXPXMLRIZ-VQIMIIECSA-N 2 0 305.510 2.881 20 0 DFADRP CC[NH+]1CCN(CC(C)(C)[NH2+]Cc2cccc3[nH]ccc32)CC1 ZINC000449745463 429495832 /nfs/dbraw/zinc/49/58/32/429495832.db2.gz NDHSQACQSCYUFF-UHFFFAOYSA-N 2 0 314.477 2.674 20 0 DFADRP C[C@H]1CCCC[C@H]1[NH+]1CCC([NH2+]CC2=CC[N@H+](C)CC2)CC1 ZINC000366694721 429496231 /nfs/dbraw/zinc/49/62/31/429496231.db2.gz LBICMJXPXMLRIZ-QFBILLFUSA-N 2 0 305.510 2.881 20 0 DFADRP CC[NH+]1CCN(CC(C)(C)[NH2+]Cc2ccc(C)c(F)c2)CC1 ZINC000449746846 429496277 /nfs/dbraw/zinc/49/62/77/429496277.db2.gz UIFPRDVTAQUXQR-UHFFFAOYSA-N 2 0 307.457 2.640 20 0 DFADRP CCCc1nc(C)c(C[N@@H+]2CC[C@@H](OCC[NH+](CC)CC)C2)o1 ZINC000428206301 429498921 /nfs/dbraw/zinc/49/89/21/429498921.db2.gz KOTHHXGGHRVGMN-MRXNPFEDSA-N 2 0 323.481 2.868 20 0 DFADRP C[NH+](C)C1CCC([NH2+]Cc2nccn2Cc2ccccc2)CC1 ZINC000428232412 429501485 /nfs/dbraw/zinc/50/14/85/429501485.db2.gz ZAUONFFQUZRZTF-UHFFFAOYSA-N 2 0 312.461 2.894 20 0 DFADRP Cn1nccc1[C@@H]1CCC[C@H]([NH2+]CCCC[NH+]2CCCC2)C1 ZINC000366748430 429506985 /nfs/dbraw/zinc/50/69/85/429506985.db2.gz NAQASJQNPPQHID-SJORKVTESA-N 2 0 304.482 2.912 20 0 DFADRP Cn1nccc1[C@@H]1CCC[C@@H]([NH2+]CCCC[NH+]2CCCC2)C1 ZINC000366748428 429507015 /nfs/dbraw/zinc/50/70/15/429507015.db2.gz NAQASJQNPPQHID-IAGOWNOFSA-N 2 0 304.482 2.912 20 0 DFADRP CCCCNC(=[NH2+])NC[C@@]1(C)CC[N@H+](Cc2ccccc2)C1 ZINC000366817871 429519805 /nfs/dbraw/zinc/51/98/05/429519805.db2.gz IDMPEUNMHGFQJP-GOSISDBHSA-N 2 0 302.466 2.813 20 0 DFADRP COc1cc(C[N@H+](C)Cc2ccc3c(c2)C[NH2+]CC3)ccc1O ZINC000521447375 429553628 /nfs/dbraw/zinc/55/36/28/429553628.db2.gz XVXBPACHTCQMPA-UHFFFAOYSA-N 2 0 312.413 2.679 20 0 DFADRP C[C@H](CN[C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1)C[NH+](C)C ZINC000521624739 429558244 /nfs/dbraw/zinc/55/82/44/429558244.db2.gz IVZOEVWHIRPRMS-IEBWSBKVSA-N 2 0 315.505 2.971 20 0 DFADRP COC1(C[NH2+]CCCC[NH+]2C[C@@H](C)C[C@H](C)C2)CCOCC1 ZINC000428890710 429560591 /nfs/dbraw/zinc/56/05/91/429560591.db2.gz VNPVRILWUNWVKA-IRXDYDNUSA-N 2 0 312.498 2.530 20 0 DFADRP CCC[C@H](C(=O)NC[C@H]1CC[N@H+](C)[C@H]1c1cccs1)[NH+](C)C ZINC000367052059 429565125 /nfs/dbraw/zinc/56/51/25/429565125.db2.gz HMFUUCHJPZBINA-IIAWOOMASA-N 2 0 323.506 2.587 20 0 DFADRP CCc1ccccc1NC(=O)[C@H](C)N1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000429034398 429572715 /nfs/dbraw/zinc/57/27/15/429572715.db2.gz IHUUOSJSRZIWIB-KXBFYZLASA-N 2 0 315.461 2.604 20 0 DFADRP CC1(C)C[C@H]([NH2+]C2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)C(C)(C)O1 ZINC000246487961 275867110 /nfs/dbraw/zinc/86/71/10/275867110.db2.gz RQNFSNMPBWMXCW-BBWFWOEESA-N 2 0 324.509 2.690 20 0 DFADRP C[N@H+](C[C@@H]1CC12CC[NH+](C[C@@H](O)c1ccccc1)CC2)C1CC1 ZINC000367308931 429616807 /nfs/dbraw/zinc/61/68/07/429616807.db2.gz GFPZGKUMRMLOGJ-PKOBYXMFSA-N 2 0 314.473 2.916 20 0 DFADRP CC1=CCC[C@H](C)[C@H]1C[NH+]1CCC(C[NH+]2CCN(C)CC2)CC1 ZINC000377628942 275913314 /nfs/dbraw/zinc/91/33/14/275913314.db2.gz OYTILZSQKMYQOK-ICSRJNTNSA-N 2 0 319.537 2.938 20 0 DFADRP CC1=C[C@@H](C)C[C@@H](C[NH+]2CCC(C[NH+]3CCN(C)CC3)CC2)C1 ZINC000368219250 275918667 /nfs/dbraw/zinc/91/86/67/275918667.db2.gz AUVWXULWVMCVRC-YLJYHZDGSA-N 2 0 319.537 2.938 20 0 DFADRP CCc1ccc2[nH+]ccc(N3CC[N@H+](C[C@H](C)O)C[C@@H]3C)c2c1 ZINC000450452762 429629686 /nfs/dbraw/zinc/62/96/86/429629686.db2.gz ICFLXICAEWGFFC-GJZGRUSLSA-N 2 0 313.445 2.689 20 0 DFADRP C[C@H](c1ccccc1)[C@@H](O)C[N@@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000450454371 429629866 /nfs/dbraw/zinc/62/98/66/429629866.db2.gz OHHYSLUWVRRBSK-KPFFTGBYSA-N 2 0 316.489 2.815 20 0 DFADRP CC[NH+](CC)C[C@@H]1CC[N@H+](C[C@@H](O)[C@@H](C)c2ccccc2)C1 ZINC000450461207 429631048 /nfs/dbraw/zinc/63/10/48/429631048.db2.gz VDIVKOMRZKWBAL-JENIJYKNSA-N 2 0 304.478 2.815 20 0 DFADRP CC1CCC([NH+]2CCC(N(C)C(=O)[C@H]3CCC[C@@H]3[NH3+])CC2)CC1 ZINC000370768141 275929699 /nfs/dbraw/zinc/92/96/99/275929699.db2.gz YPDOZCFEJTUJBQ-KXIUCKCTSA-N 2 0 321.509 2.615 20 0 DFADRP CCc1ccc2[nH+]ccc(N3CCC[N@@H+]([C@@H](C)CO)CC3)c2c1 ZINC000450476781 429635722 /nfs/dbraw/zinc/63/57/22/429635722.db2.gz ROUVGOIISLBKCJ-HNNXBMFYSA-N 2 0 313.445 2.690 20 0 DFADRP CC(C)[NH+]1CCC(O)(C[NH2+][C@H](C)CCCC(F)(F)F)CC1 ZINC000359643109 275941461 /nfs/dbraw/zinc/94/14/61/275941461.db2.gz UMPBYNWTGZYYSN-CYBMUJFWSA-N 2 0 310.404 2.932 20 0 DFADRP CCC[C@@H](C(=O)N1CCC(C[NH+]2CCC(C)CC2)CC1)[NH+](C)C ZINC000367183550 429593222 /nfs/dbraw/zinc/59/32/22/429593222.db2.gz GRMMBJIZJAUOBO-SFHVURJKSA-N 2 0 323.525 2.687 20 0 DFADRP OC[C@]1(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)C[C@@H]1c1ccc(F)cc1 ZINC000429407611 429607085 /nfs/dbraw/zinc/60/70/85/429607085.db2.gz JXFMRGPSIDMENA-NCXUSEDFSA-N 2 0 318.436 2.508 20 0 DFADRP CC(C)[NH+]1CCC([NH2+]C[C@]2(CO)C[C@@H]2c2ccc(F)cc2)CC1 ZINC000429432745 429608124 /nfs/dbraw/zinc/60/81/24/429608124.db2.gz VGHLTODIGPYZMR-MOPGFXCFSA-N 2 0 320.452 2.754 20 0 DFADRP CC[N@H+](C)C[C@H]1CCN(c2ncnc3[nH]c4ccccc4c32)C1 ZINC000450360228 429608585 /nfs/dbraw/zinc/60/85/85/429608585.db2.gz KBUQEPVDZSRGPJ-CYBMUJFWSA-N 2 0 309.417 2.889 20 0 DFADRP OC[C@H](CC(F)F)[NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]12 ZINC000429453803 429609109 /nfs/dbraw/zinc/60/91/09/429609109.db2.gz RWLPWJIGNWXAQO-YYIAUSFCSA-N 2 0 324.415 2.503 20 0 DFADRP C[C@@H](C(=O)NCc1ccc([C@H](C)[NH3+])cc1)[C@H]([NH3+])c1ccccc1 ZINC000429512571 429612285 /nfs/dbraw/zinc/61/22/85/429612285.db2.gz ZGNNNIHJZQEBDC-GLJUWKHASA-N 2 0 311.429 2.659 20 0 DFADRP C[C@H](O)C[N@H+](C)C1CC[NH+](C[C@@H]2CCCCC2(F)F)CC1 ZINC000450373326 429612705 /nfs/dbraw/zinc/61/27/05/429612705.db2.gz TXIQXSJZDGWWCK-KBPBESRZSA-N 2 0 304.425 2.589 20 0 DFADRP C[N@@H+]1CC[C@H]([NH2+]Cc2ccccc2Cn2ccnc2)[C@@H]2CCC[C@@H]21 ZINC000367518459 429664582 /nfs/dbraw/zinc/66/45/82/429664582.db2.gz IIVXYDRUDIYQTP-UFYCRDLUSA-N 2 0 324.472 2.894 20 0 DFADRP C[C@H]1CCN(Cc2nnc(C3CC3)s2)C[C@@H]1n1ccnc1 ZINC000450589364 429653605 /nfs/dbraw/zinc/65/36/05/429653605.db2.gz HCQBLCWRMMDYAU-AAEUAGOBSA-N 2 0 303.435 2.695 20 0 DFADRP CC[NH+](CC)Cc1cccc(NC(=O)CC[C@@H]2CCC[NH2+]2)c1 ZINC000262566114 276110606 /nfs/dbraw/zinc/11/06/06/276110606.db2.gz WQIUDWLMGZEAKW-INIZCTEOSA-N 2 0 303.450 2.999 20 0 DFADRP CC[NH+](CC)[C@H](C(=O)N(C)[C@H]1CCC[N@H+](C)C1)c1ccccc1 ZINC000357401504 276115272 /nfs/dbraw/zinc/11/52/72/276115272.db2.gz PTIOYLIDUXGGJZ-ROUUACIJSA-N 2 0 317.477 2.622 20 0 DFADRP CC[NH+]1CCN(CCC[NH2+][C@@H]2C[C@H](C)c3ccccc32)CC1 ZINC000289153776 276194982 /nfs/dbraw/zinc/19/49/82/276194982.db2.gz GOFVIPLCVRJKTF-QFBILLFUSA-N 2 0 301.478 2.852 20 0 DFADRP CC[NH+]1CCN([C@@H]2CC[N@H+](C[C@@H]3CC(C)=C[C@H](C)C3)C2)CC1 ZINC000356219316 276198331 /nfs/dbraw/zinc/19/83/31/276198331.db2.gz GTDDIJJXVKDCGU-YTQUADARSA-N 2 0 305.510 2.691 20 0 DFADRP C[C@H]([NH3+])[C@@H]1CCCN(CC(=O)N(C2CC2)C2CCC(C)CC2)C1 ZINC000430548579 429689452 /nfs/dbraw/zinc/68/94/52/429689452.db2.gz MCSRQKFURWWRRW-VUROTCPHSA-N 2 0 321.509 2.615 20 0 DFADRP CC[N@@H+]1CC[C@H]([NH2+][C@H]2CCN(c3ccc(F)cc3F)C2)[C@@H](C)C1 ZINC000366220836 276231493 /nfs/dbraw/zinc/23/14/93/276231493.db2.gz VZBJFZHYFFERMA-QRTARXTBSA-N 2 0 323.431 2.863 20 0 DFADRP C[C@H](O)CCC[NH2+]C1[C@@H](C)C[NH+](Cc2ccccc2)C[C@@H]1C ZINC000450740319 429690023 /nfs/dbraw/zinc/69/00/23/429690023.db2.gz UTHOJYXSBIZTFK-ULQDDVLXSA-N 2 0 304.478 2.894 20 0 DFADRP CCN1C[C@H]([NH2+]C2CCC([NH+]3CCC(C)CC3)CC2)[C@@H](C)C1 ZINC000358249901 276253032 /nfs/dbraw/zinc/25/30/32/276253032.db2.gz JTUNPYKPWQUWOP-RGVPCPSESA-N 2 0 307.526 2.959 20 0 DFADRP C[N@@H+]1CC[C@H](NCc2ccn(C3CCCC3)n2)[C@@H]2CCC[C@@H]21 ZINC000367611288 429684053 /nfs/dbraw/zinc/68/40/53/429684053.db2.gz BNNZZHHCMBVJIO-BZSNNMDCSA-N 2 0 302.466 2.961 20 0 DFADRP CCOC(=O)C1(C)CCC([NH2+]C2CC[NH+](CC3CC3)CC2)CC1 ZINC000354181226 276272618 /nfs/dbraw/zinc/27/26/18/276272618.db2.gz LGFHSOINILEPDD-UHFFFAOYSA-N 2 0 322.493 2.962 20 0 DFADRP CCC[C@H](C(=O)N1CCC[C@@H]([NH+]2CCCCCC2)C1)[NH+](C)C ZINC000153691563 276281552 /nfs/dbraw/zinc/28/15/52/276281552.db2.gz MTSPQRJRUJTNJC-IAGOWNOFSA-N 2 0 309.498 2.584 20 0 DFADRP CC(=O)Nc1cccc(C[NH2+][C@@H]2CC[N@@H+](C)[C@H]3CCC[C@@H]32)c1 ZINC000367621288 429686895 /nfs/dbraw/zinc/68/68/95/429686895.db2.gz ZVOCVNKCODMVOI-KURKYZTESA-N 2 0 301.434 2.607 20 0 DFADRP CC[N@H+](CC(=O)N1CCC[C@H](C[NH+]2CCCC[C@H]2C)C1)C1CC1 ZINC000246258668 276311726 /nfs/dbraw/zinc/31/17/26/276311726.db2.gz KPCRVDUKTQBQRE-IAGOWNOFSA-N 2 0 321.509 2.584 20 0 DFADRP CC(C)[C@](C)(C[NH3+])[NH2+]CCc1nc(-c2cccc(Cl)c2)no1 ZINC000430567716 429694675 /nfs/dbraw/zinc/69/46/75/429694675.db2.gz JKYGVLNNFINONW-INIZCTEOSA-N 2 0 322.840 2.896 20 0 DFADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N1CC[NH+](C2CCC(C)CC2)CC1 ZINC000360032032 276360726 /nfs/dbraw/zinc/36/07/26/276360726.db2.gz RTJNVDFKCSOGMD-DAWZGUTISA-N 2 0 321.509 2.584 20 0 DFADRP C[C@H]([NH3+])[C@@H]1CCC[N@H+](CCCc2nc(-c3ccccc3)no2)C1 ZINC000430583781 429696573 /nfs/dbraw/zinc/69/65/73/429696573.db2.gz TUJBPACJEXHYON-GOEBONIOSA-N 2 0 314.433 2.728 20 0 DFADRP Cc1cccn2c(C[N@H+]3CC[C@H](C4CC[NH+](C)CC4)C3)cnc12 ZINC000367690008 429701108 /nfs/dbraw/zinc/70/11/08/429701108.db2.gz SVCRKISKBUCPCN-KRWDZBQOSA-N 2 0 312.461 2.806 20 0 DFADRP [NH3+]C[C@@H]1CCC[N@H+](CCc2nc(-c3cccc(Cl)c3)no2)C1 ZINC000430625594 429703384 /nfs/dbraw/zinc/70/33/84/429703384.db2.gz QOHQHXVGAGSUDT-LBPRGKRZSA-N 2 0 320.824 2.603 20 0 DFADRP COC[C@@H](C)C[NH2+]C[C@@H](C(C)C)N1CCc2ccccc2C1 ZINC000526123333 429703725 /nfs/dbraw/zinc/70/37/25/429703725.db2.gz LHVMAJIKCJHZGQ-LPHOPBHVSA-N 2 0 304.478 2.941 20 0 DFADRP [NH3+]CC1CC[NH+](Cc2nn(-c3ccccc3)c3c2CCC3)CC1 ZINC000430638812 429706299 /nfs/dbraw/zinc/70/62/99/429706299.db2.gz NSDQNYJUVPYIQU-UHFFFAOYSA-N 2 0 310.445 2.532 20 0 DFADRP CC(=O)Nc1ccc(CC[NH2+][C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@@H]32)cc1 ZINC000367738360 429709501 /nfs/dbraw/zinc/70/95/01/429709501.db2.gz UAKQOJXDCUMTIM-GUDVDZBRSA-N 2 0 315.461 2.650 20 0 DFADRP C[C@@H]1C[N@@H+](Cc2ccc(C[NH2+]CC3(F)CC3)cc2)C[C@H](C)O1 ZINC000526973291 429711683 /nfs/dbraw/zinc/71/16/83/429711683.db2.gz ONZRKTFGWTWLJH-GASCZTMLSA-N 2 0 306.425 2.888 20 0 DFADRP CC[N@H+](C)[C@@H](C(=O)NC[C@@H]1[NH2+]CCCC1(C)C)c1ccccc1 ZINC000430731247 429712492 /nfs/dbraw/zinc/71/24/92/429712492.db2.gz LFYVXNCJLAYHPY-DLBZAZTESA-N 2 0 317.477 2.574 20 0 DFADRP C[C@H]1C[N@H+](Cc2ccc(OCc3cccnc3)cc2)CC[C@H]1[NH3+] ZINC000430915560 429723472 /nfs/dbraw/zinc/72/34/72/429723472.db2.gz DCGDTPHJWHOAPB-HNAYVOBHSA-N 2 0 311.429 2.830 20 0 DFADRP CC(C)[C@H]1CC[C@@H](C)C[C@@H]1[NH2+]CCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000482541103 429725925 /nfs/dbraw/zinc/72/59/25/429725925.db2.gz DRQSRPTWVWCOEI-XDNAFOTISA-N 2 0 323.525 2.624 20 0 DFADRP C[NH2+]CC1CC[NH+](Cc2nn(-c3ccccc3)c3c2CCC3)CC1 ZINC000430959404 429730324 /nfs/dbraw/zinc/73/03/24/429730324.db2.gz ZBVONLGHFJASIF-UHFFFAOYSA-N 2 0 324.472 2.792 20 0 DFADRP Cc1cccc(-c2noc(C[NH+]3CCC([C@@H](C)[NH3+])CC3)n2)c1 ZINC000430957565 429730350 /nfs/dbraw/zinc/73/03/50/429730350.db2.gz SSLDPPXRQXRPAO-CYBMUJFWSA-N 2 0 300.406 2.604 20 0 DFADRP C[C@@H]1C[N@H+](CCC(=O)Nc2cccc3ccccc32)CC[C@H]1[NH3+] ZINC000430964947 429731626 /nfs/dbraw/zinc/73/16/26/429731626.db2.gz JUTKUYVGHXVAJG-RHSMWYFYSA-N 2 0 311.429 2.838 20 0 DFADRP C[C@H](c1nc(-c2cccs2)no1)[NH+]1CCC2(CC[NH2+]C2)CC1 ZINC000431011431 429733599 /nfs/dbraw/zinc/73/35/99/429733599.db2.gz AKYRFMYCECRCNL-GFCCVEGCSA-N 2 0 318.446 2.935 20 0 DFADRP CC(C)c1cccc(NC(=O)C[NH+]2CCC3(CC[NH2+]C3)CC2)c1 ZINC000431026485 429734902 /nfs/dbraw/zinc/73/49/02/429734902.db2.gz FGCQXAHQXCNVNW-UHFFFAOYSA-N 2 0 315.461 2.824 20 0 DFADRP Fc1ccc(-n2ccc(C[NH+]3CCC4(CC[NH2+]C4)CC3)n2)cc1 ZINC000431023455 429736005 /nfs/dbraw/zinc/73/60/05/429736005.db2.gz HSQPHJMUKQOWIL-UHFFFAOYSA-N 2 0 314.408 2.587 20 0 DFADRP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)C2([NH3+])CCCCC2)C1 ZINC000431062425 429737418 /nfs/dbraw/zinc/73/74/18/429737418.db2.gz QCTLHQKCCFCFNS-NVXWUHKLSA-N 2 0 315.461 2.600 20 0 DFADRP CCC[C@H]([NH3+])C(=O)N(CC)[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000431034881 429738187 /nfs/dbraw/zinc/73/81/87/429738187.db2.gz PGJYWKZIXBKHMJ-NJAFHUGGSA-N 2 0 317.477 2.798 20 0 DFADRP CCC[N@H+](CCC(=O)NCC1CCCCC1)C1CC[NH2+]CC1 ZINC000431074601 429738862 /nfs/dbraw/zinc/73/88/62/429738862.db2.gz WGDVMKXQIOBKHX-UHFFFAOYSA-N 2 0 309.498 2.537 20 0 DFADRP c1cnn(CCC[NH2+][C@H]2C[C@@H](C3CC3)N(Cc3ccccc3)C2)c1 ZINC000367908887 429741549 /nfs/dbraw/zinc/74/15/49/429741549.db2.gz DIGPRYAQVVYUKD-PMACEKPBSA-N 2 0 324.472 2.916 20 0 DFADRP C[C@H]1[C@@H](c2ccccc2)CC[N@@H+]1Cc1nc(C(C)(C)[NH3+])no1 ZINC000431103121 429744867 /nfs/dbraw/zinc/74/48/67/429744867.db2.gz VWESXOTUTLTKON-JSGCOSHPSA-N 2 0 300.406 2.641 20 0 DFADRP Cc1nc2c(n1[C@H]1CC[NH+](CC[C@H]3CCC[N@H+]3C)C1)CCCC2 ZINC000432078723 429798863 /nfs/dbraw/zinc/79/88/63/429798863.db2.gz RHPKPFITLBIMMJ-SJORKVTESA-N 2 0 316.493 2.801 20 0 DFADRP C[N@@H+]1CCCC[C@H]1CC[NH+]1CC[C@H](n2cnc3c2CCCC3)C1 ZINC000432093047 429800087 /nfs/dbraw/zinc/80/00/87/429800087.db2.gz ZYHGJNSRHMPBLJ-IRXDYDNUSA-N 2 0 316.493 2.883 20 0 DFADRP CCC1([NH2+]CC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)CCCC1 ZINC000451270345 429801248 /nfs/dbraw/zinc/80/12/48/429801248.db2.gz BXNRHZVMWCIYNH-KRWDZBQOSA-N 2 0 317.477 2.718 20 0 DFADRP FC1(C[NH2+]CCCC[NH+]2CCN(Cc3ccccc3)CC2)CC1 ZINC000527520579 429756882 /nfs/dbraw/zinc/75/68/82/429756882.db2.gz QKFRSOJUHNUSBT-UHFFFAOYSA-N 2 0 319.468 2.676 20 0 DFADRP CC(C)[N@@H+]1CCCC[C@H]1CN1CC[NH+]([C@@H]2C[C@H]2C)C[C@H](C)C1 ZINC000451065873 429760239 /nfs/dbraw/zinc/76/02/39/429760239.db2.gz WAIRAKBXLKIQLN-AKHDSKFASA-N 2 0 307.526 2.911 20 0 DFADRP Cn1c2cc(F)ccc2nc1NC[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000431428314 429762269 /nfs/dbraw/zinc/76/22/69/429762269.db2.gz TUXDVMGAZDHVEI-AWEZNQCLSA-N 2 0 302.397 3.141 20 0 DFADRP C[C@H]1CN(Cc2cncn2Cc2ccccc2)CC[N@@H+](C2CC2)C1 ZINC000451094687 429768156 /nfs/dbraw/zinc/76/81/56/429768156.db2.gz QJDNQLLGZUKCLD-KRWDZBQOSA-N 2 0 324.472 2.848 20 0 DFADRP COc1ccc(O)cc1[C@H](C)N1C[C@@H]2C[N@@H+]3CCCC[C@H]3[C@H]2C1 ZINC000368020381 429768604 /nfs/dbraw/zinc/76/86/04/429768604.db2.gz VTQZZJZJMILZTE-USJZOSNVSA-N 2 0 316.445 2.878 20 0 DFADRP C[NH+](C)[C@H](CNC(=O)CC[C@@H]1CCCC[N@@H+]1C)c1cccs1 ZINC000431572253 429770867 /nfs/dbraw/zinc/77/08/67/429770867.db2.gz SRYZOBFPMJPOQA-LSDHHAIUSA-N 2 0 323.506 2.732 20 0 DFADRP C[N@@H+]1CCCC[C@@H]1CCC(=O)N1CC[NH+](CCC(C)(C)C)CC1 ZINC000431727621 429779611 /nfs/dbraw/zinc/77/96/11/429779611.db2.gz LDHKCPFDDJSEJT-QGZVFWFLSA-N 2 0 323.525 2.831 20 0 DFADRP C[C@@H]1C[N@H+](CCC[NH2+]Cc2ccc3cc[nH]c3c2)CCCO1 ZINC000527700539 429782056 /nfs/dbraw/zinc/78/20/56/429782056.db2.gz MCRMPTRDASZKGJ-OAHLLOKOSA-N 2 0 301.434 2.758 20 0 DFADRP CC[C@H](C)[N@H+](C)CCNC(=O)[C@@H]1CCCC[NH+]1C1CCCC1 ZINC000431788941 429782422 /nfs/dbraw/zinc/78/24/22/429782422.db2.gz OVLNNLVMCQZNCX-RDJZCZTQSA-N 2 0 309.498 2.630 20 0 DFADRP C[C@H](C[NH+]1CCCCC1)NC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC000431912752 429789830 /nfs/dbraw/zinc/78/98/30/429789830.db2.gz JXEYIECEAQADRK-SJLPKXTDSA-N 2 0 321.509 2.774 20 0 DFADRP C[C@@H](C[NH+]1CCCCC1)NC(=O)C[C@@H](c1ccccc1)[NH+](C)C ZINC000431914002 429790483 /nfs/dbraw/zinc/79/04/83/429790483.db2.gz PBPKFIOVKPENNX-WMZOPIPTSA-N 2 0 317.477 2.670 20 0 DFADRP C[C@H]([NH2+]Cc1ccccc1C[N@@H+]1CCC[C@H]1CO)[C@H]1CC12CC2 ZINC000527887773 429815039 /nfs/dbraw/zinc/81/50/39/429815039.db2.gz OYSQSPJLOVARCV-ZYSHUDEJSA-N 2 0 314.473 2.922 20 0 DFADRP C[N@H+](Cc1ccccc1)CC(C)(C)C[NH2+]CCC1CC(O)C1 ZINC000432363959 429818369 /nfs/dbraw/zinc/81/83/69/429818369.db2.gz DVXAPNOOPPIIED-UHFFFAOYSA-N 2 0 304.478 2.895 20 0 DFADRP CCC[NH+]1CCC([NH2+]C[C@@]2(C)COc3ccccc3O2)CC1 ZINC000527937118 429823350 /nfs/dbraw/zinc/82/33/50/429823350.db2.gz UGODBODFPZGXLX-SFHVURJKSA-N 2 0 304.434 2.681 20 0 DFADRP OC1CC(CC[NH2+][C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]23)C1 ZINC000432427588 429823970 /nfs/dbraw/zinc/82/39/70/429823970.db2.gz ZRIKDVOSAJIWDT-DRRJLQACSA-N 2 0 314.473 2.648 20 0 DFADRP Cc1ccc(C[NH2+]CC2CC[NH+](C)CC2)c(-c2cnn(C)c2)c1 ZINC000368489104 429856477 /nfs/dbraw/zinc/85/64/77/429856477.db2.gz XNVAKHHMRQPMCI-UHFFFAOYSA-N 2 0 312.461 2.827 20 0 DFADRP Cc1cccc([C@H]([NH2+]C[C@H](C)N2CC[NH+](C)CC2)C(C)C)c1 ZINC000527859966 429811234 /nfs/dbraw/zinc/81/12/34/429811234.db2.gz SIQYRHAHMYNROG-PKOBYXMFSA-N 2 0 303.494 2.918 20 0 DFADRP Cc1cccc([C@H]([NH2+]C[C@@H](C)N2CC[NH+](C)CC2)C(C)C)c1 ZINC000527859963 429811382 /nfs/dbraw/zinc/81/13/82/429811382.db2.gz SIQYRHAHMYNROG-IEBWSBKVSA-N 2 0 303.494 2.918 20 0 DFADRP c1ccc2c(c1)CC[C@H]([NH2+]CC1CC[NH+](C3CC3)CC1)CO2 ZINC000494530862 429879300 /nfs/dbraw/zinc/87/93/00/429879300.db2.gz YJMHVUCCUOZJFM-KRWDZBQOSA-N 2 0 300.446 2.844 20 0 DFADRP Fc1cncc(CNC[C@@H]2CC[N@H+](CCc3ccccc3)C2)c1 ZINC000494563687 429880267 /nfs/dbraw/zinc/88/02/67/429880267.db2.gz IKKYAELIKSOYJX-KRWDZBQOSA-N 2 0 313.420 2.875 20 0 DFADRP CSCCCCC[NH2+][C@@H]1CC[N@H+](C[C@H]2CCCO2)C[C@H]1C ZINC000368633097 429880904 /nfs/dbraw/zinc/88/09/04/429880904.db2.gz KULFRSITQPKKAV-BRWVUGGUSA-N 2 0 314.539 2.999 20 0 DFADRP CO[C@@H](Cc1ccc(F)cc1)C[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000528390336 429884481 /nfs/dbraw/zinc/88/44/81/429884481.db2.gz WXJBDKCYZAMHBH-HKUYNNGSSA-N 2 0 320.452 2.801 20 0 DFADRP CC[NH+](CC)C[C@H]1CCN([C@@H]2CCN(C3CCCCC3)C2=O)C1 ZINC000528398641 429885623 /nfs/dbraw/zinc/88/56/23/429885623.db2.gz XOYILWLQHILQEI-SJLPKXTDSA-N 2 0 321.509 2.584 20 0 DFADRP C[C@@H]1CC[N@H+](Cc2cc(CO)ccc2F)C[C@H]1n1ccnc1 ZINC000528422903 429886914 /nfs/dbraw/zinc/88/69/14/429886914.db2.gz GAGQEBYTQQJRNA-CXAGYDPISA-N 2 0 303.381 2.598 20 0 DFADRP Cc1c[nH+]ccc1N1CCC[N@@H+](Cc2cnn(C(C)C)c2)CC1 ZINC000369098824 429912891 /nfs/dbraw/zinc/91/28/91/429912891.db2.gz FSHOMZZORAVAGB-UHFFFAOYSA-N 2 0 313.449 2.880 20 0 DFADRP C[C@@H]1CCC[N@H+](Cc2ccc(CNC(=O)CCCC[NH3+])cc2)C1 ZINC000573086657 429925224 /nfs/dbraw/zinc/92/52/24/429925224.db2.gz MWWZGUHPTQAFRY-MRXNPFEDSA-N 2 0 317.477 2.664 20 0 DFADRP C[C@@H](O)C[NH+]1CCC2(CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000639724835 429959297 /nfs/dbraw/zinc/95/92/97/429959297.db2.gz GIUPZCJADUBALB-QGZVFWFLSA-N 2 0 302.462 2.745 20 0 DFADRP CC(C)[N@@H+](C)C[C@H](C)N[C@H]1C[C@H](C)[NH+](Cc2ccccc2)C1 ZINC000573610546 429965340 /nfs/dbraw/zinc/96/53/40/429965340.db2.gz OJUAHVRSYWMKCF-LNLFQRSKSA-N 2 0 303.494 2.968 20 0 DFADRP C[N@@H+]1CCN([C@@H]2CC[NH+](Cc3ccccc3)C2)C[C@H]1C(C)(C)C ZINC000639748356 429967903 /nfs/dbraw/zinc/96/79/03/429967903.db2.gz ZNGVYLTVVOLSKD-MOPGFXCFSA-N 2 0 315.505 2.923 20 0 DFADRP C[N@@H+]1CCN([C@H]2CC[NH+](Cc3ccccc3)C2)C[C@H]1C(C)(C)C ZINC000639748362 429968860 /nfs/dbraw/zinc/96/88/60/429968860.db2.gz ZNGVYLTVVOLSKD-OALUTQOASA-N 2 0 315.505 2.923 20 0 DFADRP CC(C)[N@@H+]1CC[C@@H](C[NH2+]CCCc2ccc3c(c2)CCO3)C1 ZINC000558419612 429971630 /nfs/dbraw/zinc/97/16/30/429971630.db2.gz SGMLBTWPKHDWGJ-KRWDZBQOSA-N 2 0 302.462 2.874 20 0 DFADRP C[N@@H+]1CCC[C@@H]1CC[NH+]1CC[C@H](c2ccc3cccnc3n2)C1 ZINC000639791222 429982136 /nfs/dbraw/zinc/98/21/36/429982136.db2.gz JHNZZGIGHOTIHW-DLBZAZTESA-N 2 0 310.445 2.903 20 0 DFADRP CC(C)[NH+]1CCN([C@H]2CC[N@H+](Cc3ccccc3Cl)C2)CC1 ZINC000369400353 429936200 /nfs/dbraw/zinc/93/62/00/429936200.db2.gz XEDWLUWSDNCBKN-KRWDZBQOSA-N 2 0 321.896 2.940 20 0 DFADRP CC(C)[NH2+]C1(CO)CCN(Cc2cccc3ncccc23)CC1 ZINC000639660223 429936347 /nfs/dbraw/zinc/93/63/47/429936347.db2.gz DXSDTOJWSTZXRS-UHFFFAOYSA-N 2 0 313.445 2.560 20 0 DFADRP COc1ccc([C@@H](C[NH3+])C[NH+]2CCC(OC(C)C)CC2)cc1 ZINC000557336947 429937414 /nfs/dbraw/zinc/93/74/14/429937414.db2.gz XIXGUNBFWYBXMC-INIZCTEOSA-N 2 0 306.450 2.627 20 0 DFADRP Cc1cc(C)c(CN2CCC(CO)([NH2+]CC(C)C)CC2)c(C)n1 ZINC000639661812 429937816 /nfs/dbraw/zinc/93/78/16/429937816.db2.gz GXTJTRFASCSPCZ-UHFFFAOYSA-N 2 0 319.493 2.579 20 0 DFADRP CCO[C@@H]1C[C@@H]([NH2+][C@H]2CCc3nccn3C2)C12CCCCC2 ZINC000369433027 429944193 /nfs/dbraw/zinc/94/41/93/429944193.db2.gz CCWCQPPWCWVRCQ-ARFHVFGLSA-N 2 0 303.450 2.915 20 0 DFADRP C[C@H]1C[C@H](C)C[NH+](CCN2CCCN(c3cc[nH+]cc3)CC2)C1 ZINC000639684153 429945787 /nfs/dbraw/zinc/94/57/87/429945787.db2.gz RYOBGHIDZOBCSC-ROUUACIJSA-N 2 0 316.493 2.572 20 0 DFADRP CC[N@H+](Cc1ccc(C(=O)N[C@@H](C)C[C@H](C)[NH3+])cc1)C(C)C ZINC000573924462 429996684 /nfs/dbraw/zinc/99/66/84/429996684.db2.gz ULVAIMIOHYOTQY-GJZGRUSLSA-N 2 0 305.466 2.773 20 0 DFADRP c1cn(-c2ccc(C[N@@H+]3CCC[C@H](n4ccnn4)CC3)cc2)cn1 ZINC000639846774 430000535 /nfs/dbraw/zinc/00/05/35/430000535.db2.gz YGCVFHGAQYVAAH-SFHVURJKSA-N 2 0 322.416 2.691 20 0 DFADRP C[NH+](C)C1CCC([NH2+]CCC(=O)Nc2cccc(F)c2)CC1 ZINC000574070912 430008185 /nfs/dbraw/zinc/00/81/85/430008185.db2.gz ARIWMCMRNMEKKS-UHFFFAOYSA-N 2 0 307.413 2.617 20 0 DFADRP C[C@@H]([NH2+]C1CC[NH+](C[C@H]2CCOC2)CC1)C1CC(F)(F)C1 ZINC000529548241 430025944 /nfs/dbraw/zinc/02/59/44/430025944.db2.gz JLVJYEZFUFLCOW-CHWSQXEVSA-N 2 0 302.409 2.511 20 0 DFADRP CC(C)[NH+]1CCN([C@H]2CC[N@H+](C[C@H]3CCCC3(F)F)C2)CC1 ZINC000560218229 430026906 /nfs/dbraw/zinc/02/69/06/430026906.db2.gz PQPQVWHGKVRGHH-CVEARBPZSA-N 2 0 315.452 2.522 20 0 DFADRP CCc1[nH+]c2ccccc2c(N2CC[N@H+](CCO)[C@H](C)C2)c1C ZINC000561520780 430092442 /nfs/dbraw/zinc/09/24/42/430092442.db2.gz BWKOEDAZKLDJFB-CQSZACIVSA-N 2 0 313.445 2.608 20 0 DFADRP CC1(C)C[NH2+]CC[C@H]([NH2+]Cc2cncc(Br)c2)C1 ZINC000634733280 430093425 /nfs/dbraw/zinc/09/34/25/430093425.db2.gz BRDMCIYYQNNRGY-ZDUSSCGKSA-N 2 0 312.255 2.712 20 0 DFADRP C/C(=C\c1ccccc1)C[N@@H+](C)CCCN(C)CC[NH+](C)C ZINC000561981760 430104850 /nfs/dbraw/zinc/10/48/50/430104850.db2.gz FWYIEDUKJPUNGQ-FBMGVBCBSA-N 2 0 303.494 2.905 20 0 DFADRP Cc1nn(C)c2sc([C@@H](C)[NH2+]C[C@@H]3CCCN(C)C3)cc12 ZINC000562042114 430106356 /nfs/dbraw/zinc/10/63/56/430106356.db2.gz UKRYOXXERPAUAH-OLZOCXBDSA-N 2 0 306.479 2.936 20 0 DFADRP Cc1ccc(CC[NH+]2CCC(CO[C@H]3CC[NH2+]C3)CC2)cc1 ZINC000530242397 430106939 /nfs/dbraw/zinc/10/69/39/430106939.db2.gz UHDXYLTYIFKGBZ-IBGZPJMESA-N 2 0 302.462 2.628 20 0 DFADRP COc1ccc(C)cc1C[NH+]1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000530241018 430108121 /nfs/dbraw/zinc/10/81/21/430108121.db2.gz OYYGOFSAMPGWLL-GOSISDBHSA-N 2 0 318.461 2.594 20 0 DFADRP c1cc(C[NH+]2CCCCC2)ccc1C[N@@H+]1C[C@@H]2COC[C@@H]2C1 ZINC000634779103 430110659 /nfs/dbraw/zinc/11/06/59/430110659.db2.gz CQCWZPISLYKAOI-KDURUIRLSA-N 2 0 300.446 2.751 20 0 DFADRP C[C@H](C(=O)NC[C@@H]1CC[NH+]1C1CCCCC1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000529720876 430060809 /nfs/dbraw/zinc/06/08/09/430060809.db2.gz SMLBUEGSDZAOQZ-HPFXQQBRSA-N 2 0 321.509 2.771 20 0 DFADRP C[NH+](C)CCOc1ccccc1C[NH2+][C@H]1CCOC(C)(C)C1 ZINC000634679347 430074180 /nfs/dbraw/zinc/07/41/80/430074180.db2.gz RMCBUCRODRKQHK-INIZCTEOSA-N 2 0 306.450 2.674 20 0 DFADRP CC1(C)C[C@H]([NH2+]CC2CCN(c3cc[nH+]cc3)CC2)CCO1 ZINC000634681697 430076073 /nfs/dbraw/zinc/07/60/73/430076073.db2.gz VPUKJUXQLVMHRG-MRXNPFEDSA-N 2 0 303.450 2.845 20 0 DFADRP CC[NH2+]Cc1ccccc1NC(=O)NCC1CC[NH+](CC)CC1 ZINC000580881185 430159949 /nfs/dbraw/zinc/15/99/49/430159949.db2.gz VURDUMWQCOYQQE-UHFFFAOYSA-N 2 0 318.465 2.650 20 0 DFADRP CC(C)[N@@H+]1CC[C@@H](CNC(=O)[C@H]2CCCC[NH+]2C2CCCC2)C1 ZINC000562657784 430160508 /nfs/dbraw/zinc/16/05/08/430160508.db2.gz GZDCSTXFOKTTQP-FUHWJXTLSA-N 2 0 321.509 2.630 20 0 DFADRP Cc1ccc(C[NH+]2CCC(C[NH+]3CCOCC3)CC2)c(F)c1 ZINC000637904753 430167171 /nfs/dbraw/zinc/16/71/71/430167171.db2.gz GKNPGLZXSOTNBX-UHFFFAOYSA-N 2 0 306.425 2.678 20 0 DFADRP COc1cccc(C)c1C[NH+]1CCC(C[NH+]2CCOCC2)CC1 ZINC000637906867 430168345 /nfs/dbraw/zinc/16/83/45/430168345.db2.gz YIJGRCYDIUHFRZ-UHFFFAOYSA-N 2 0 318.461 2.548 20 0 DFADRP C[C@@H](CCc1ccc2c(c1)OCO2)[NH2+]Cc1ccc(C[NH3+])cc1 ZINC000580564100 430135394 /nfs/dbraw/zinc/13/53/94/430135394.db2.gz LEFMOJDDMVZLTE-AWEZNQCLSA-N 2 0 312.413 2.985 20 0 DFADRP C[N@H+](CCO)C[C@]1(C(C)(C)C)CC[NH+](Cc2ccccc2)C1 ZINC000637832341 430142455 /nfs/dbraw/zinc/14/24/55/430142455.db2.gz HBAYGAPWFXXBLU-LJQANCHMSA-N 2 0 304.478 2.849 20 0 DFADRP C[C@H]([NH3+])[C@H]1CCC[N@H+](Cc2cccc(-c3ccc(N)cc3)n2)C1 ZINC000634991229 430185154 /nfs/dbraw/zinc/18/51/54/430185154.db2.gz VKRVUZRHEYZLJH-HOCLYGCPSA-N 2 0 310.445 2.890 20 0 DFADRP C[N@@H+]1CCCN(CCC[NH2+][C@H]2CCc3c2c(F)ccc3F)CC1 ZINC000269835996 277051408 /nfs/dbraw/zinc/05/14/08/277051408.db2.gz ASDPMUZBFMAERY-KRWDZBQOSA-N 2 0 323.431 2.569 20 0 DFADRP Nc1ccc(-c2cccc(C[N@H+]3CC[C@H]4C[NH2+]C[C@H]4CC3)n2)cc1 ZINC000634994973 430186668 /nfs/dbraw/zinc/18/66/68/430186668.db2.gz RJDUSZLLDYBIAW-CALCHBBNSA-N 2 0 322.456 2.762 20 0 DFADRP CC1CC[NH+]([C@H](CNCC23CC(C2)C[NH2+]3)c2cccs2)CC1 ZINC000634995708 430186851 /nfs/dbraw/zinc/18/68/51/430186851.db2.gz MUZXGBGSFWNJKX-UPTPFMHGSA-N 2 0 319.518 2.863 20 0 DFADRP COc1cccc(N2CC[C@H]([NH2+][C@H]3CCCCC[C@@H]3[NH3+])C2)c1 ZINC000581185111 430186949 /nfs/dbraw/zinc/18/69/49/430186949.db2.gz RGSNXFQNUFHHQL-WBAXXEDZSA-N 2 0 303.450 2.524 20 0 DFADRP COc1cccc(N2CC[C@H]([NH2+][C@@H]3CCCCC[C@H]3[NH3+])C2)c1 ZINC000581185108 430187113 /nfs/dbraw/zinc/18/71/13/430187113.db2.gz RGSNXFQNUFHHQL-BMGDILEWSA-N 2 0 303.450 2.524 20 0 DFADRP C[C@H]1CC[N@H+](Cc2cccc(-c3ccc(N)cc3)n2)C[C@H]1C[NH3+] ZINC000634996281 430187245 /nfs/dbraw/zinc/18/72/45/430187245.db2.gz FONCQSQBZPZKMH-GOEBONIOSA-N 2 0 310.445 2.748 20 0 DFADRP CC(=O)Nc1ccc([C@H](C)[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000368079525 277083658 /nfs/dbraw/zinc/08/36/58/277083658.db2.gz RMZSYAMEKZGAQT-VHSSKADRSA-N 2 0 301.434 2.922 20 0 DFADRP CC(=O)Nc1ccc([C@H](C)[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000368079524 277083710 /nfs/dbraw/zinc/08/37/10/277083710.db2.gz RMZSYAMEKZGAQT-MORSLUCNSA-N 2 0 301.434 2.922 20 0 DFADRP CC1(C)[C@H]([NH2+]Cc2cccc3c2CC[NH2+]C3)[C@@H]2CCCO[C@@H]21 ZINC000635007602 430194383 /nfs/dbraw/zinc/19/43/83/430194383.db2.gz FEGYWRYDTQDKJR-KSZLIROESA-N 2 0 300.446 2.626 20 0 DFADRP CCO[C@@H]1C[C@H]([NH2+]CC[C@H]([NH3+])Cc2ccccc2)C12CCC2 ZINC000635007989 430194551 /nfs/dbraw/zinc/19/45/51/430194551.db2.gz QMOBBEKQZBUZPN-OKZBNKHCSA-N 2 0 302.462 2.884 20 0 DFADRP CC1(C)[C@H]([NH2+]CC[C@H]([NH3+])Cc2ccccc2)[C@@H]2CCCO[C@@H]21 ZINC000635006884 430194822 /nfs/dbraw/zinc/19/48/22/430194822.db2.gz NCAXNFCYAILWTF-FJIDUMEYSA-N 2 0 302.462 2.740 20 0 DFADRP CCCCOc1cc(C[N@@H+]2C[C@@H](C)[C@@H](C[NH3+])C2)ccc1OC ZINC000635000792 430191220 /nfs/dbraw/zinc/19/12/20/430191220.db2.gz VRSOXILZGZXRCV-ZBFHGGJFSA-N 2 0 306.450 2.901 20 0 DFADRP C[C@@H]([NH2+][C@@H]1CCO[C@H]1c1ccc(F)c(F)c1)[C@@H]1CCC[NH2+]C1 ZINC000635002990 430191862 /nfs/dbraw/zinc/19/18/62/430191862.db2.gz DCOLKZZPPLVDKN-ZPUIDXCVSA-N 2 0 310.388 2.773 20 0 DFADRP O=C(CC[NH2+]CCCCC[NH+]1CCCC1)Nc1ccccc1 ZINC000581247273 430192773 /nfs/dbraw/zinc/19/27/73/430192773.db2.gz TVXJEXAGYRFLHN-UHFFFAOYSA-N 2 0 303.450 2.871 20 0 DFADRP Cc1c([C@H](C)[NH2+][C@H]2CC[C@H](C[NH3+])CC2)nnn1-c1ccccc1 ZINC000635007532 430193373 /nfs/dbraw/zinc/19/33/73/430193373.db2.gz QYOZSWFFWCLWBU-BPUTZDHNSA-N 2 0 313.449 2.744 20 0 DFADRP c1ccc2c(c1)NCCC[C@@H]2Nc1cc(N2CC[NH2+]CC2)cc[nH+]1 ZINC000635007073 430193728 /nfs/dbraw/zinc/19/37/28/430193728.db2.gz DQADTBQVRWGFAY-SFHVURJKSA-N 2 0 323.444 2.850 20 0 DFADRP [NH3+]C[C@H]1CC[C@H]([NH2+][C@@H](c2ncc[nH]2)c2ccc(F)cc2)CC1 ZINC000635007288 430194089 /nfs/dbraw/zinc/19/40/89/430194089.db2.gz VYAHPZJMNXZJKF-DAXOMENPSA-N 2 0 302.397 2.745 20 0 DFADRP C[N@@H+]1CC[C@H]([NH2+]C[C@H](O)c2ccc(Cl)cc2)[C@H]2CCC[C@@H]21 ZINC000367601822 277172043 /nfs/dbraw/zinc/17/20/43/277172043.db2.gz PRPQCXNFNJCABU-QZWWFDLISA-N 2 0 308.853 2.836 20 0 DFADRP c1ccc([C@@H]2OCC[C@H]2C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC000635012684 430195364 /nfs/dbraw/zinc/19/53/64/430195364.db2.gz NKVXGVIYXWYDBF-FKSLSLAPSA-N 2 0 300.446 2.742 20 0 DFADRP C[C@@H]([NH2+][C@@H]1CC[NH2+]CC(C)(C)C1)c1ccccc1-n1ccnn1 ZINC000635012370 430195603 /nfs/dbraw/zinc/19/56/03/430195603.db2.gz TXKZUJRPPRLWOX-HUUCEWRRSA-N 2 0 313.449 2.696 20 0 DFADRP c1cc(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)c2c(c1)COCC2 ZINC000635011694 430195633 /nfs/dbraw/zinc/19/56/33/430195633.db2.gz GKQJXLMVJMWPQT-CEXWTWQISA-N 2 0 300.446 2.770 20 0 DFADRP C[C@@H]([NH2+][C@@H]1CC[NH2+]CC(C)(C)C1)c1cccc(-n2ccnn2)c1 ZINC000635011800 430195777 /nfs/dbraw/zinc/19/57/77/430195777.db2.gz PFJJEUDCXMWERJ-GDBMZVCRSA-N 2 0 313.449 2.696 20 0 DFADRP C[C@H]([NH2+][C@H]1CC[C@H](C[NH3+])CC1)c1ccc(OCC[NH+](C)C)cc1 ZINC000635009652 430195886 /nfs/dbraw/zinc/19/58/86/430195886.db2.gz YSVUULIBVFPJTQ-BQFCYCMXSA-N 3 0 319.493 2.795 20 0 DFADRP C[C@@H]([NH2+][C@@H]1CC[NH2+]CC(C)(C)C1)c1ccc(S(C)(=O)=O)cc1 ZINC000635010031 430196062 /nfs/dbraw/zinc/19/60/62/430196062.db2.gz IUSSLOZRWPSDRP-UKRRQHHQSA-N 2 0 324.490 2.519 20 0 DFADRP Cc1cc([C@@H](C)Nc2cc(N3CC[NH2+]CC3)cc[nH+]2)c(C)o1 ZINC000635008353 430196101 /nfs/dbraw/zinc/19/61/01/430196101.db2.gz JFTODLITHHQCCU-CYBMUJFWSA-N 2 0 300.406 2.874 20 0 DFADRP C[C@@H]([NH2+][C@H]1CC[NH2+]CC(C)(C)C1)c1ccc2[nH]c(=O)oc2c1 ZINC000635008242 430196135 /nfs/dbraw/zinc/19/61/35/430196135.db2.gz CPGGFGYGFMZQQR-YPMHNXCESA-N 2 0 303.406 2.962 20 0 DFADRP COc1ccsc1[C@@H](C)Nc1cc(N2CC[NH2+]CC2)cc[nH+]1 ZINC000635008448 430196523 /nfs/dbraw/zinc/19/65/23/430196523.db2.gz JWMLKYHCIUVDHO-GFCCVEGCSA-N 2 0 318.446 2.734 20 0 DFADRP CC1(C)C[NH2+]CC[C@@H]([NH2+]C2CCC(O)(C(F)(F)F)CC2)C1 ZINC000635011244 430196757 /nfs/dbraw/zinc/19/67/57/430196757.db2.gz MVMRHRHLHMZKFG-MBHSVXNSSA-N 2 0 308.388 2.590 20 0 DFADRP C[C@@H]([NH2+]C[C@@H]1CCO[C@H]1c1ccc(F)cc1)[C@H]1CCC[NH2+]C1 ZINC000635013781 430198275 /nfs/dbraw/zinc/19/82/75/430198275.db2.gz VRRNARPRVMLPGG-VKZRIFJHSA-N 2 0 306.425 2.881 20 0 DFADRP CCOC(=O)[C@@H](CC(C)C)N1CCC(Nc2ccccn2)CC1 ZINC000542041667 430200237 /nfs/dbraw/zinc/20/02/37/430200237.db2.gz MZQKAVZYRFRMCW-MRXNPFEDSA-N 2 0 319.449 2.936 20 0 DFADRP COC[C@@H]([NH2+][C@H](C)c1cccc(OCC[NH+](C)C)c1)C1CC1 ZINC000090717392 277248968 /nfs/dbraw/zinc/24/89/68/277248968.db2.gz MEMXKUMRWSVJPH-RDTXWAMCSA-N 2 0 306.450 2.703 20 0 DFADRP COC(=O)C[C@@H]1CC[C@@H]([NH2+]C2CC([NH+]3CCCCC3)C2)[C@@H]1C ZINC000376023102 277325356 /nfs/dbraw/zinc/32/53/56/277325356.db2.gz WNUNIHOLWDWFHV-RNONSGAXSA-N 2 0 308.466 2.571 20 0 DFADRP CC(C)CC[C@@H]([NH3+])C(=O)NC[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000638050155 430219254 /nfs/dbraw/zinc/21/92/54/430219254.db2.gz LOHHUSRBGORWMZ-QZTJIDSGSA-N 2 0 317.477 2.703 20 0 DFADRP CC[NH2+][C@@H](C)C(=O)NCc1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000638063342 430222904 /nfs/dbraw/zinc/22/29/04/430222904.db2.gz LUAPXMHNSYVCSX-HOTGVXAUSA-N 2 0 317.477 2.533 20 0 DFADRP Cn1cc(-c2ccc(C[NH2+][C@H]3CCCC[C@H]3C[NH3+])s2)cn1 ZINC000581595444 430223014 /nfs/dbraw/zinc/22/30/14/430223014.db2.gz AZUYDKQQLJHSJO-WFASDCNBSA-N 2 0 304.463 2.756 20 0 DFADRP Cn1c(C[NH+]2CCC(OCC[NH+](C)C)CC2)cc2ccccc21 ZINC000638061676 430223150 /nfs/dbraw/zinc/22/31/50/430223150.db2.gz LAEIPODEXCTPCY-UHFFFAOYSA-N 2 0 315.461 2.721 20 0 DFADRP C[C@H]1CCC[N@H+](Cc2ccc(NC(=O)C3=CC[C@@H]([NH3+])C3)cc2)C1 ZINC000638063611 430223993 /nfs/dbraw/zinc/22/39/93/430223993.db2.gz NMSFKYWVWHSENP-WMLDXEAASA-N 2 0 313.445 2.905 20 0 DFADRP CC[NH2+][C@H](C)C(=O)NCc1ccccc1C[N@@H+]1CCC[C@H](C)C1 ZINC000638063372 430224446 /nfs/dbraw/zinc/22/44/46/430224446.db2.gz MFEUPTFGUXLJOJ-JKSUJKDBSA-N 2 0 317.477 2.533 20 0 DFADRP CC[NH2+][C@H](C)C(=O)Nc1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000638064381 430224669 /nfs/dbraw/zinc/22/46/69/430224669.db2.gz SUKINPZQDORATK-LSDHHAIUSA-N 2 0 303.450 2.855 20 0 DFADRP CC(C)C[N@@H+]1CCC[C@H]1CNC(=O)c1ccc(C[NH+](C)C)cc1 ZINC000125320504 277398951 /nfs/dbraw/zinc/39/89/51/277398951.db2.gz RCZXYQHPGJHMHH-SFHVURJKSA-N 2 0 317.477 2.598 20 0 DFADRP COC(=O)CC1([NH2+]Cc2cccc(C[NH+]3CCCCC3)c2)CC1 ZINC000581491625 430214094 /nfs/dbraw/zinc/21/40/94/430214094.db2.gz BIHKLFPXTJKUHZ-UHFFFAOYSA-N 2 0 316.445 2.858 20 0 DFADRP C[NH+](C)Cc1ccc(C(=O)N2CC[N@H+](C)[C@H](C(C)(C)C)C2)cc1 ZINC000640622914 430217890 /nfs/dbraw/zinc/21/78/90/430217890.db2.gz DUJFLUICHNMHIB-KRWDZBQOSA-N 2 0 317.477 2.551 20 0 DFADRP C[C@@H]1C[C@@H](N(C)Cc2ccccc2OCCCCO)CC[N@@H+]1C ZINC000638118320 430241526 /nfs/dbraw/zinc/24/15/26/430241526.db2.gz XLCYVQULJSKMAW-AEFFLSMTSA-N 2 0 320.477 2.752 20 0 DFADRP Cc1cc(C[NH3+])oc1C(=O)Nc1cc(C[NH+](C)C)ccc1C ZINC000638125086 430243235 /nfs/dbraw/zinc/24/32/35/430243235.db2.gz HSJOCKBNUFKAAK-UHFFFAOYSA-N 2 0 301.390 2.669 20 0 DFADRP CC[NH+]1CCN(c2ccc(C[NH2+][C@H]3CCCC34CC4)cn2)CC1 ZINC000581835945 430243268 /nfs/dbraw/zinc/24/32/68/430243268.db2.gz NYFUDOUGPPRAAT-KRWDZBQOSA-N 2 0 314.477 2.646 20 0 DFADRP O=c1ccc(C[NH+]2CCC(CCC[NH+]3CCCC3)CC2)c[nH]1 ZINC000638129843 430245831 /nfs/dbraw/zinc/24/58/31/430245831.db2.gz CKXUJWOMBGNNBC-UHFFFAOYSA-N 2 0 303.450 2.875 20 0 DFADRP C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)[C@H]1CC[NH+]1C1CCCC1 ZINC000635323717 430255255 /nfs/dbraw/zinc/25/52/55/430255255.db2.gz AVQBCCSJEIJFOC-SJLPKXTDSA-N 2 0 321.509 2.774 20 0 DFADRP CC[N@H+](C)C[C@@H](O)CNC1(c2ccc(Cl)c(Cl)c2)CC1 ZINC000566413471 430257484 /nfs/dbraw/zinc/25/74/84/430257484.db2.gz GEJYZOGKRQHFOR-LBPRGKRZSA-N 2 0 317.260 2.885 20 0 DFADRP C[N@@H+]1CCC[C@H](CC[NH2+]C2CCC(O)(C(F)(F)F)CC2)C1 ZINC000582168816 430275041 /nfs/dbraw/zinc/27/50/41/430275041.db2.gz UMRIIOXQHOXXLE-IYXRBSQSSA-N 2 0 308.388 2.544 20 0 DFADRP Cc1cc(C)c(NC(=O)N2CC[C@@]3(C2)CCC[NH2+]C3)c(C)n1 ZINC000567221350 430281704 /nfs/dbraw/zinc/28/17/04/430281704.db2.gz HIDFPGJABMEUOE-KRWDZBQOSA-N 2 0 302.422 2.614 20 0 DFADRP CC(C)c1ncc(C[NH+]2CCC([C@H]3OCCC[C@H]3[NH3+])CC2)s1 ZINC000581713913 430233629 /nfs/dbraw/zinc/23/36/29/430233629.db2.gz BNRQOKJJQLFFEB-HZPDHXFCSA-N 2 0 323.506 2.985 20 0 DFADRP CC(C)CC[C@H]([NH3+])C(=O)Nc1ccc(OCCC[NH+](C)C)cc1 ZINC000638109869 430237114 /nfs/dbraw/zinc/23/71/14/430237114.db2.gz XAOSJNPMWFIADX-KRWDZBQOSA-N 2 0 321.465 2.719 20 0 DFADRP CC[N@@H+]1CC[C@@H](N(C)Cc2ccnn2CC2CCC2)C[C@@H]1C ZINC000638109501 430238126 /nfs/dbraw/zinc/23/81/26/430238126.db2.gz FUWPYWJQXVTZFH-DOTOQJQBSA-N 2 0 304.482 2.988 20 0 DFADRP C[C@@H]1C[C@H]([NH3+])CC[N@@H+]1CCOc1ccc(OC(F)(F)F)cc1 ZINC000567748555 430287983 /nfs/dbraw/zinc/28/79/83/430287983.db2.gz XZMONDAWIPCEQF-VXGBXAGGSA-N 2 0 318.339 2.776 20 0 DFADRP C[C@@H]([NH2+]Cc1ccc(C[NH+]2CCC(O)CC2)cc1)[C@H]1CC1(F)F ZINC000638272788 430290434 /nfs/dbraw/zinc/29/04/34/430290434.db2.gz CHKYJUVOAYIMCL-CXAGYDPISA-N 2 0 324.415 2.777 20 0 DFADRP CC[NH+](CC)Cc1ccccc1C[NH2+]C[C@H](OC)[C@H]1CCOC1 ZINC000638313366 430302363 /nfs/dbraw/zinc/30/23/63/430302363.db2.gz UUEPYIIFTBHKHK-OALUTQOASA-N 2 0 320.477 2.670 20 0 DFADRP CC(C)[NH2+]CCCN[C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000582481428 430303237 /nfs/dbraw/zinc/30/32/37/430303237.db2.gz CBLHBFXOKXZKIN-HKUYNNGSSA-N 2 0 303.494 2.875 20 0 DFADRP CC(C)[N@@H+]1CCCC[C@H]1Cn1cc(C[NH2+]C2CCCCC2)nn1 ZINC000641170022 430350558 /nfs/dbraw/zinc/35/05/58/430350558.db2.gz SWXNRAVFQBLEKU-SFHVURJKSA-N 2 0 319.497 2.963 20 0 DFADRP C[C@@H](C(=O)Nc1cccc(Cl)c1)[NH+]1CCC(CC[NH3+])CC1 ZINC000568057235 430310513 /nfs/dbraw/zinc/31/05/13/430310513.db2.gz XQNZWVVMNQDDFC-LBPRGKRZSA-N 2 0 309.841 2.728 20 0 DFADRP CC(C)(O)C[NH+]1CCC([NH2+][C@@H]2CCC[C@H](C(F)(F)F)C2)CC1 ZINC000638346953 430312273 /nfs/dbraw/zinc/31/22/73/430312273.db2.gz IPLQGAPESSMQOV-GXTWGEPZSA-N 2 0 322.415 2.932 20 0 DFADRP CCO[C@@H]1C[C@H]([NH2+]CCCC[N@@H+]2CCCC[C@H]2C)[C@]12CCCO2 ZINC000638365456 430318353 /nfs/dbraw/zinc/31/83/53/430318353.db2.gz DGBPGHOIYXVYJH-FCGDIQPGSA-N 2 0 324.509 2.957 20 0 DFADRP CC(C)[N@@H+]1CCCC[C@@H]1Cn1cc(C[NH2+]C2CCCCC2)nn1 ZINC000641170021 430350787 /nfs/dbraw/zinc/35/07/87/430350787.db2.gz SWXNRAVFQBLEKU-GOSISDBHSA-N 2 0 319.497 2.963 20 0 DFADRP CO[C@@H](C[NH2+]CCCC[NH+]1CCC(C)CC1)C1CCOCC1 ZINC000638369339 430318692 /nfs/dbraw/zinc/31/86/92/430318692.db2.gz GFIMQTAODHTBMX-SFHVURJKSA-N 2 0 312.498 2.530 20 0 DFADRP Cc1cc(C[NH3+])cc(NC(=O)[C@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000638365939 430318763 /nfs/dbraw/zinc/31/87/63/430318763.db2.gz LRJCPSKCSDONIX-SFHVURJKSA-N 2 0 323.440 2.914 20 0 DFADRP CCO[C@@H]1C[C@@H]([NH2+]CCCC[NH+]2CCC(C)CC2)[C@]12CCCO2 ZINC000638370372 430320102 /nfs/dbraw/zinc/32/01/02/430320102.db2.gz LNIMWUIQDFHSEV-GUDVDZBRSA-N 2 0 324.509 2.815 20 0 DFADRP C[NH+](C)CCc1ccc(NC(=O)c2ccccc2CC[NH3+])cc1 ZINC000568153325 430321188 /nfs/dbraw/zinc/32/11/88/430321188.db2.gz AXXQFEUFZBGPSJ-UHFFFAOYSA-N 2 0 311.429 2.544 20 0 DFADRP CCc1ccc([C@@H]2C[C@H](C)CCN2C[C@@H](O)C[N@@H+](C)CC)o1 ZINC000568164077 430321853 /nfs/dbraw/zinc/32/18/53/430321853.db2.gz IMQYYUAJBUCKFR-VYDXJSESSA-N 2 0 308.466 2.928 20 0 DFADRP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+]1CCCC[C@H]1C[C@H](C)O ZINC000568177759 430323927 /nfs/dbraw/zinc/32/39/27/430323927.db2.gz NZNHRAISFGFYEQ-KSSFIOAISA-N 2 0 314.433 2.701 20 0 DFADRP CC(C)(O)C[NH+]1CCC([NH2+][C@@H]2CCc3cc(F)ccc32)CC1 ZINC000638426010 430339377 /nfs/dbraw/zinc/33/93/77/430339377.db2.gz QLKVUCSLQQZGBD-QGZVFWFLSA-N 2 0 306.425 2.638 20 0 DFADRP CO[C@H](C[NH2+]C[C@H]1CCCN(Cc2cccs2)C1)C1CC1 ZINC000638447231 430344591 /nfs/dbraw/zinc/34/45/91/430344591.db2.gz HXWRDRVCDQQWHM-RHSMWYFYSA-N 2 0 308.491 2.975 20 0 DFADRP C[C@@H]1C[C@@H]([NH2+]Cc2ccccc2C[NH+]2CCC(O)CC2)CS1 ZINC000638718162 430415307 /nfs/dbraw/zinc/41/53/07/430415307.db2.gz FEBKKBPTOOXFPG-RHSMWYFYSA-N 2 0 320.502 2.627 20 0 DFADRP [NH3+]C1CCC([NH2+][C@H](CO)c2ccc(C(F)(F)F)cc2)CC1 ZINC000583019007 430356458 /nfs/dbraw/zinc/35/64/58/430356458.db2.gz WFULWBQDMWQILQ-JXQTWKCFSA-N 2 0 302.340 2.598 20 0 DFADRP CCOc1ccc(CC[NH2+][C@H]2CCC[C@@H]([NH3+])C2)cc1OCC ZINC000568415141 430359038 /nfs/dbraw/zinc/35/90/38/430359038.db2.gz IOECGFFQRFWPOA-CVEARBPZSA-N 2 0 306.450 2.886 20 0 DFADRP Cc1cc(C[NH2+]C(C)(C)CCN2CC[NH+](C)CC2)c(C)s1 ZINC000546726593 430367859 /nfs/dbraw/zinc/36/78/59/430367859.db2.gz WUPBQMKZXYBGDT-UHFFFAOYSA-N 2 0 309.523 2.871 20 0 DFADRP CC(C)[C@@H]1C[C@H]([NH2+]Cc2ccncc2OCC[NH+](C)C)CS1 ZINC000568566751 430370949 /nfs/dbraw/zinc/37/09/49/430370949.db2.gz XGWQSGPASNJBDE-RDJZCZTQSA-N 2 0 323.506 2.642 20 0 DFADRP C[C@H]([NH2+]CCc1ccc(OCC[NH+](C)C)cc1)[C@@H]1CC1(F)F ZINC000638540060 430371425 /nfs/dbraw/zinc/37/14/25/430371425.db2.gz YEVWJDLKPKSJTC-BBRMVZONSA-N 2 0 312.404 2.803 20 0 DFADRP C[C@H](C(=O)N1CCCc2cccc(C[NH3+])c21)[NH+]1CCCCCC1 ZINC000638545154 430373665 /nfs/dbraw/zinc/37/36/65/430373665.db2.gz QBHDNHXZVGLFGG-OAHLLOKOSA-N 2 0 315.461 2.689 20 0 DFADRP CC[N@H+](C)Cc1cccc(C[NH2+][C@H](C)C[C@@H]2CCCC(=O)N2)c1 ZINC000638564277 430376073 /nfs/dbraw/zinc/37/60/73/430376073.db2.gz XQFNNUPIYKZREV-QAPCUYQASA-N 2 0 317.477 2.675 20 0 DFADRP CO[C@@H](C[NH2+]C[C@H]1CCC[N@@H+](C(C)C)C1)Cc1ccccc1 ZINC000638566887 430378461 /nfs/dbraw/zinc/37/84/61/430378461.db2.gz QNBPYVYDEKYWEH-RTBURBONSA-N 2 0 304.478 2.954 20 0 DFADRP CC[NH+]1CCC(C[NH2+]C[C@@H]2CCN(c3ccccc3)C2)CC1 ZINC000638565990 430378485 /nfs/dbraw/zinc/37/84/85/430378485.db2.gz XHMPYDJWYWCWPJ-SFHVURJKSA-N 2 0 301.478 2.834 20 0 DFADRP Cc1nn(-c2cc[nH+]cc2)cc1CN1CCc2ccc(O)cc2C1 ZINC000583288778 430380881 /nfs/dbraw/zinc/38/08/81/430380881.db2.gz RBAHNCXRAVPDDY-UHFFFAOYSA-N 2 0 320.396 2.840 20 0 DFADRP Cc1cc(F)ccc1C[N@@H+]1CCC[C@@H](N2CCOCC2)CC1 ZINC000568664396 430381761 /nfs/dbraw/zinc/38/17/61/430381761.db2.gz RUSGPVIREJLHCO-GOSISDBHSA-N 2 0 306.425 2.821 20 0 DFADRP C[C@H](C[NH2+][C@@H]1CCN(C2CC[NH+](C)CC2)C1)C1CCCCC1 ZINC000638588791 430383747 /nfs/dbraw/zinc/38/37/47/430383747.db2.gz NRANZITZUDZQIQ-SJLPKXTDSA-N 2 0 307.526 2.961 20 0 DFADRP [NH3+]CCC1CC[NH+](Cc2c[nH]nc2-c2ccccc2F)CC1 ZINC000583326345 430384505 /nfs/dbraw/zinc/38/45/05/430384505.db2.gz WBCWMQJLQYPQNL-UHFFFAOYSA-N 2 0 302.397 2.777 20 0 DFADRP CCn1c2ccccc2nc1C[N@@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000568761792 430389238 /nfs/dbraw/zinc/38/92/38/430389238.db2.gz IMKWWMXXXJGOBR-JKSUJKDBSA-N 2 0 312.461 2.878 20 0 DFADRP CC(C)(O)C[NH+]1CCC([NH2+]C[C@@H]2CCc3ccccc32)CC1 ZINC000638623161 430391413 /nfs/dbraw/zinc/39/14/13/430391413.db2.gz KAQJNBWOXIHLOO-INIZCTEOSA-N 2 0 302.462 2.541 20 0 DFADRP C[C@H]1C[C@@H]([NH3+])CCN1CC(=O)Nc1ccccc1C(C)(C)C ZINC000568897715 430404558 /nfs/dbraw/zinc/40/45/58/430404558.db2.gz DGVMXXQTHXJQTL-KBPBESRZSA-N 2 0 303.450 2.734 20 0 DFADRP [NH3+][C@@H]1CCCO[C@H]1C1CC[NH+](Cc2cnc(C3CC3)s2)CC1 ZINC000583552827 430406892 /nfs/dbraw/zinc/40/68/92/430406892.db2.gz WQRZEBUQIQBZIC-CVEARBPZSA-N 2 0 321.490 2.739 20 0 DFADRP [NH3+][C@@H]1CCC[C@@H]([NH2+][C@@H]2CCN(c3ccc(Cl)c(F)c3)C2)C1 ZINC000583575435 430408648 /nfs/dbraw/zinc/40/86/48/430408648.db2.gz FKYAVXHJNHFUQX-JHJVBQTASA-N 2 0 311.832 2.917 20 0 DFADRP CC(C)(O)C[NH+]1CCC([NH2+]CCC2Cc3ccccc3C2)CC1 ZINC000638812570 430441029 /nfs/dbraw/zinc/44/10/29/430441029.db2.gz GOFZZIPNGHJYJV-UHFFFAOYSA-N 2 0 316.489 2.616 20 0 DFADRP C[C@@H]1CCCC[N@@H+]1CCNC(=O)CC[NH+](C)C1CCCCC1 ZINC000548060658 430443824 /nfs/dbraw/zinc/44/38/24/430443824.db2.gz NVHVLDQFOJLYEP-MRXNPFEDSA-N 2 0 309.498 2.632 20 0 DFADRP C[NH+](C)[C@H]1CCCN(C(=O)CC[N@H+](C)C2CCCCC2)CC1 ZINC000548064016 430443912 /nfs/dbraw/zinc/44/39/12/430443912.db2.gz BRBDFGUDWKBBAF-INIZCTEOSA-N 2 0 309.498 2.584 20 0 DFADRP CN(CC[N@H+](C)Cc1ccc2c(c1)C[NH2+]CC2)c1ccccc1 ZINC000583999529 430449985 /nfs/dbraw/zinc/44/99/85/430449985.db2.gz NKIMGGJKNCZWJO-UHFFFAOYSA-N 2 0 309.457 2.901 20 0 DFADRP Cc1cc(C[NH2+]CC2CCN(c3cc[nH+]cc3)CC2)sn1 ZINC000638837173 430450279 /nfs/dbraw/zinc/45/02/79/430450279.db2.gz QBSXASXLULMBNO-UHFFFAOYSA-N 2 0 302.447 2.853 20 0 DFADRP O=C(NCc1ccc(-c2c[nH]cn2)cc1)[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000636059083 430451759 /nfs/dbraw/zinc/45/17/59/430451759.db2.gz ATSFUZSAMUXNTI-SFHVURJKSA-N 2 0 324.428 2.710 20 0 DFADRP CC(C)[N@@H+]1CCC[C@H](C[NH2+]C[C@H](O)Cc2cccc(Cl)c2)C1 ZINC000584048123 430453597 /nfs/dbraw/zinc/45/35/97/430453597.db2.gz DLHTXCJNUFFTTL-SJLPKXTDSA-N 2 0 324.896 2.953 20 0 DFADRP CC(C)(C[NH3+])C(=O)N[C@H]1CCCCC[N@H+](Cc2ccccc2)C1 ZINC000638850750 430455602 /nfs/dbraw/zinc/45/56/02/430455602.db2.gz GVBCYRYNPHZSEW-KRWDZBQOSA-N 2 0 317.477 2.532 20 0 DFADRP CC1([NH+]2CCCC2)CCN(C(=O)[C@@H]2CCCCCC[C@@H]2[NH3+])CC1 ZINC000638859161 430458066 /nfs/dbraw/zinc/45/80/66/430458066.db2.gz JPSLXEMTXQWQNJ-SJORKVTESA-N 2 0 321.509 2.761 20 0 DFADRP CCC[NH+](CCC)CCCC(=O)N[C@H]1C[C@@H]([NH+]2CCCC2)C1 ZINC000636096552 430458803 /nfs/dbraw/zinc/45/88/03/430458803.db2.gz YYZNNKVXNFCBCM-CALCHBBNSA-N 2 0 309.498 2.632 20 0 DFADRP OC[C@H]1C=C[C@@H]([NH2+][C@H]2CCN(C3CC3)[C@@H](c3ccccc3)C2)C1 ZINC000638880508 430465622 /nfs/dbraw/zinc/46/56/22/430465622.db2.gz MFWYCWYQLRIYJV-ZNWBIBPKSA-N 2 0 312.457 2.881 20 0 DFADRP CC(C)(CC[NH+]1CCCCCC1)NC(=O)CCc1ncc[nH]1 ZINC000569586725 430468596 /nfs/dbraw/zinc/46/85/96/430468596.db2.gz HOYPFUXNZXJJAL-UHFFFAOYSA-N 2 0 306.454 2.503 20 0 DFADRP c1cc2cc(C[NH2+]C3CC[NH+](C[C@@H]4CCOC4)CC3)ccc2[nH]1 ZINC000584207543 430469271 /nfs/dbraw/zinc/46/92/71/430469271.db2.gz KOHIPQYCZYHXLW-INIZCTEOSA-N 2 0 313.445 2.758 20 0 DFADRP Cc1cnccc1CC[N@H+](C[C@H]1CCCO1)[C@@H]1CCSC1 ZINC000584348323 430475332 /nfs/dbraw/zinc/47/53/32/430475332.db2.gz MALUJLPHSMTBFC-IAGOWNOFSA-N 2 0 306.475 2.919 20 0 DFADRP Cc1cnccc1CC[N@H+](C[C@@H]1CCCO1)[C@@H]1CCSC1 ZINC000584348325 430475402 /nfs/dbraw/zinc/47/54/02/430475402.db2.gz MALUJLPHSMTBFC-SJORKVTESA-N 2 0 306.475 2.919 20 0 DFADRP CC1(C)[C@H]([NH3+])C[C@H]1[NH2+]CCC(=O)Nc1ccc(Cl)cc1F ZINC000641804172 430478023 /nfs/dbraw/zinc/47/80/23/430478023.db2.gz JACOAGGWQHDMKK-CHWSQXEVSA-N 2 0 313.804 2.523 20 0 DFADRP C[C@H](CN1CCC(C)CC1)[NH2+]C1CCN(c2ccccn2)CC1 ZINC000569123800 430426889 /nfs/dbraw/zinc/42/68/89/430426889.db2.gz XQQCIIPNWRKKAD-QGZVFWFLSA-N 2 0 316.493 2.760 20 0 DFADRP CCCc1nc(C)c(C[N@@H+]2CCC[C@H]([C@@H]3C[C@@H]([NH3+])CCO3)C2)o1 ZINC000641823618 430482603 /nfs/dbraw/zinc/48/26/03/430482603.db2.gz STXDVZSMBVDLAG-JYJNAYRXSA-N 2 0 321.465 2.654 20 0 DFADRP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCC[N@H+](C[C@H]3CCC4(CCCC4)O3)C2)C1 ZINC000641821672 430482884 /nfs/dbraw/zinc/48/28/84/430482884.db2.gz NZYHVLPQUJQARE-TVFCKZIOSA-N 2 0 322.493 2.697 20 0 DFADRP C[C@H]([NH2+]C1CC(n2cccn2)C1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000638973180 430484706 /nfs/dbraw/zinc/48/47/06/430484706.db2.gz YFIDRLXOTSZYTK-LCMLCXGQSA-N 2 0 302.466 2.829 20 0 DFADRP O=C(N[C@H]1CC[N@@H+](C2CCCCC2)C1)[C@@H]1CC[NH+]1C1CCCC1 ZINC000636203752 430486817 /nfs/dbraw/zinc/48/68/17/430486817.db2.gz YOVUEHAGFMKJQL-YJBOKZPZSA-N 2 0 319.493 2.527 20 0 DFADRP CCC(CC)[C@@H](C)C(=O)Nc1cc(N2CC[NH2+]CC2)cc[nH+]1 ZINC000638983596 430488973 /nfs/dbraw/zinc/48/89/73/430488973.db2.gz CNFJSTPXPXSQMZ-CYBMUJFWSA-N 2 0 304.438 2.502 20 0 DFADRP C[N@H+](CCC(=O)N1CCC[NH+](C(C)(C)C)CC1)C1CCCCC1 ZINC000548715170 430493939 /nfs/dbraw/zinc/49/39/39/430493939.db2.gz YPLYDIKXUCURJQ-UHFFFAOYSA-N 2 0 323.525 2.974 20 0 DFADRP CC[N@H+](Cc1ccc(C(=O)N[C@H]2CC[C@H]([NH3+])CC2)cc1)C(C)C ZINC000639040439 430498660 /nfs/dbraw/zinc/49/86/60/430498660.db2.gz FMJHFJMNSLVOHK-IYARVYRRSA-N 2 0 317.477 2.917 20 0 DFADRP CC[N@H+](CC[C@H]1CCC[NH2+]C1)Cc1nc2ccccc2c(=O)[nH]1 ZINC000569950366 430501376 /nfs/dbraw/zinc/50/13/76/430501376.db2.gz MPOCDVQBEBUDRL-CQSZACIVSA-N 2 0 314.433 2.547 20 0 DFADRP O[C@H](C[NH2+]C1CC[NH+](C2CCCC2)CC1)Cc1ccc(F)cc1 ZINC000569960993 430501590 /nfs/dbraw/zinc/50/15/90/430501590.db2.gz VLCHQHSJYOUJHN-IBGZPJMESA-N 2 0 320.452 2.726 20 0 DFADRP C[NH+](C)Cc1ccc(C[NH2+]CCC(=O)Nc2ccccc2)cc1 ZINC000548832137 430503864 /nfs/dbraw/zinc/50/38/64/430503864.db2.gz ITPSHDMUKFXVJK-UHFFFAOYSA-N 2 0 311.429 2.867 20 0 DFADRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+][C@H](C)[C@H]1CC2CCC1CC2 ZINC000639057496 430505336 /nfs/dbraw/zinc/50/53/36/430505336.db2.gz RCGXZARANMZNTR-XBBDAYDNSA-N 2 0 307.526 2.817 20 0 DFADRP Cn1cc(-c2ccc(C[NH2+]C[C@@H]3CCC[N@H+](C)C3)s2)cn1 ZINC000548872277 430507048 /nfs/dbraw/zinc/50/70/48/430507048.db2.gz OTJRTKYSNMDDGO-ZDUSSCGKSA-N 2 0 304.463 2.580 20 0 DFADRP CO[C@H](C[NH2+]C(C)(C)CC[NH+]1CCCCCC1)[C@@H]1CCOC1 ZINC000639067449 430510853 /nfs/dbraw/zinc/51/08/53/430510853.db2.gz XRNVTXACBAVMSZ-IAGOWNOFSA-N 2 0 312.498 2.672 20 0 DFADRP Cc1nc2ccccc2nc1C[N@H+]1CCCC12CC[NH+](C)CC2 ZINC000639081787 430516373 /nfs/dbraw/zinc/51/63/73/430516373.db2.gz LSAQVRIIXKIRPM-UHFFFAOYSA-N 2 0 310.445 2.998 20 0 DFADRP C[NH+](C)[C@@H]1CCCN([C@@H](c2nc[nH]n2)C2CCCCC2)CC1 ZINC000639103199 430524807 /nfs/dbraw/zinc/52/48/07/430524807.db2.gz HXHNGONJJOMBKE-HZPDHXFCSA-N 2 0 305.470 2.842 20 0 DFADRP COc1ccccc1OCCN[C@H](Cc1ccccc1)[C@H](C)[NH3+] ZINC000570271724 430528282 /nfs/dbraw/zinc/52/82/82/430528282.db2.gz WLSMRJWBXQPIGL-DOTOQJQBSA-N 2 0 314.429 2.622 20 0 DFADRP COC(=O)CCC[C@@H]1CCC[C@@H]([NH2+]C[C@@H]2CCC[N@H+](C)C2)C1 ZINC000549755445 430531003 /nfs/dbraw/zinc/53/10/03/430531003.db2.gz MLUZWOVROXADBB-YESZJQIVSA-N 2 0 310.482 2.820 20 0 DFADRP c1[nH]c2ncncc2c1C[NH2+]C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000639117311 430532072 /nfs/dbraw/zinc/53/20/72/430532072.db2.gz GFICHSDXPDVFRK-MRXNPFEDSA-N 2 0 321.428 2.521 20 0 DFADRP COc1ccccc1N1CC[C@H](C[NH2+][C@@H]2CCCCC[C@H]2[NH3+])C1 ZINC000570388820 430538702 /nfs/dbraw/zinc/53/87/02/430538702.db2.gz IIWXEWSEMAVQDJ-BRWVUGGUSA-N 2 0 317.477 2.771 20 0 DFADRP C[C@@H]1CCN(CC[NH2+][C@@H]2CCCN(Cc3ccccc3)[C@H]2C)C1 ZINC000551034903 430549650 /nfs/dbraw/zinc/54/96/50/430549650.db2.gz UZHXWEGUFIGNBB-WSTZPKSXSA-N 2 0 315.505 2.971 20 0 DFADRP Cc1ccc(CN(C)[C@@H]2CC[N@@H+](C3CCN(C)CC3)C2)c(F)c1 ZINC000639172576 430554069 /nfs/dbraw/zinc/55/40/69/430554069.db2.gz MXBGKKVXASIMMY-GOSISDBHSA-N 2 0 319.468 2.734 20 0 DFADRP COc1ccc(COCC[N@@H+]2C[C@H](C[NH3+])[C@@H](C)C[C@H]2C)cc1 ZINC000643441037 430600990 /nfs/dbraw/zinc/60/09/90/430600990.db2.gz OBLNZWQBNJCDJX-UXLLHSPISA-N 2 0 306.450 2.517 20 0 DFADRP O=C(Nc1cccc(CC[NH+]2CCCC2)c1)[C@@H]1CCCCC[NH2+]1 ZINC000570572056 430554628 /nfs/dbraw/zinc/55/46/28/430554628.db2.gz XBLQBLXBAVJHSE-SFHVURJKSA-N 2 0 315.461 2.796 20 0 DFADRP COC(C)(C)C[N@H+](C)C[C@H]1CN(Cc2ccccc2)CCCO1 ZINC000551386972 430555484 /nfs/dbraw/zinc/55/54/84/430555484.db2.gz IMMVEFKLNXZFLK-SFHVURJKSA-N 2 0 320.477 2.634 20 0 DFADRP Nc1c(Cl)cc(Cl)cc1C[NH2+][C@H]1CCc2nc[nH]c2C1 ZINC000639191110 430563815 /nfs/dbraw/zinc/56/38/15/430563815.db2.gz GAHPCZFFXZRGLQ-JTQLQIEISA-N 2 0 311.216 2.946 20 0 DFADRP [NH3+][C@@H]1CCCCCC[C@@H]1C(=O)Nc1cccc2c1CC[NH2+]C2 ZINC000570675166 430566440 /nfs/dbraw/zinc/56/64/40/430566440.db2.gz RZDHYRVDQGRFDK-JKSUJKDBSA-N 2 0 301.434 2.569 20 0 DFADRP [NH3+][C@@H]1CCCCCC[C@H]1C(=O)Nc1cccc2c1CC[NH2+]C2 ZINC000570675165 430567185 /nfs/dbraw/zinc/56/71/85/430567185.db2.gz RZDHYRVDQGRFDK-HZPDHXFCSA-N 2 0 301.434 2.569 20 0 DFADRP C[C@@H]1CC[N@H+](Cc2cccc(CN3CCOCC3)c2)C[C@H]1F ZINC000643251821 430567253 /nfs/dbraw/zinc/56/72/53/430567253.db2.gz FXKFJUFCXXSVGN-CRAIPNDOSA-N 2 0 306.425 2.699 20 0 DFADRP CC[C@@H](C)[C@H](C[N@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2CCOC)OC ZINC000639209966 430572786 /nfs/dbraw/zinc/57/27/86/430572786.db2.gz BVHXGFYEPPWCAX-WKUFJEKOSA-N 2 0 312.498 2.621 20 0 DFADRP COC[C@@H](CCC[NH3+])[NH2+][C@H](CN1CCCCC1)c1ccccc1 ZINC000643451858 430601625 /nfs/dbraw/zinc/60/16/25/430601625.db2.gz LJKZNCHVQSNWGC-RTBURBONSA-N 2 0 319.493 2.557 20 0 DFADRP CC[N@H+](CCC1CC[NH+](CC[C@@H]2CCNC2=O)CC1)CC(C)C ZINC000570825490 430581470 /nfs/dbraw/zinc/58/14/70/430581470.db2.gz YWUCTWVAQWPHEQ-SFHVURJKSA-N 2 0 323.525 2.593 20 0 DFADRP COc1ccc(C[C@@H](C)[NH2+]C[C@@H]2CCC[N@H+](C)C2)c(C)c1OC ZINC000552044965 430581717 /nfs/dbraw/zinc/58/17/17/430581717.db2.gz TTWVFGNAPLNTMT-ZBFHGGJFSA-N 2 0 320.477 2.875 20 0 DFADRP Cc1sccc1C[N@H+]1CC[C@@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000552060554 430582906 /nfs/dbraw/zinc/58/29/06/430582906.db2.gz GJDHICWPWIVVEK-QGZVFWFLSA-N 2 0 307.507 2.657 20 0 DFADRP Fc1ccc(N2CC[C@H](C[NH2+][C@H]3CCC[NH2+]CC3)C2)cc1F ZINC000643453138 430602101 /nfs/dbraw/zinc/60/21/01/430602101.db2.gz JJYWIVHZIKKEAB-KGLIPLIRSA-N 2 0 309.404 2.523 20 0 DFADRP CC[NH+](CC)[C@H](C(=O)N[C@H](C)c1ncc[nH]1)c1ccccc1 ZINC000552227835 430591737 /nfs/dbraw/zinc/59/17/37/430591737.db2.gz UYOFJBIBEPVGSR-HIFRSBDPSA-N 2 0 300.406 2.670 20 0 DFADRP CC[C@H](C[NH2+]C1CC[NH+](CC(C)(C)O)CC1)CC(F)(F)F ZINC000639266440 430592309 /nfs/dbraw/zinc/59/23/09/430592309.db2.gz YQFRNOSZIMWTPV-LBPRGKRZSA-N 2 0 310.404 2.790 20 0 DFADRP C[C@H]([NH2+]C[C@H]1CCN(c2ccc(Cl)cc2)C1)[C@@H]1CC[NH2+]C1 ZINC000643453198 430602253 /nfs/dbraw/zinc/60/22/53/430602253.db2.gz ONYFTIIQGFRYTN-RRFJBIMHSA-N 2 0 307.869 2.754 20 0 DFADRP Cc1nc(CNC[C@@H]2CC[N@H+](CCc3ccccc3)C2)[nH]c1C ZINC000570987000 430594226 /nfs/dbraw/zinc/59/42/26/430594226.db2.gz VBLKTYZLZVUYST-SFHVURJKSA-N 2 0 312.461 2.681 20 0 DFADRP C[NH+](C)CCCCC(=O)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000552369717 430595665 /nfs/dbraw/zinc/59/56/65/430595665.db2.gz BMSZVKNEANCIJV-SFHVURJKSA-N 2 0 323.525 2.833 20 0 DFADRP C[NH+](C)C1CCC([NH2+]Cc2ccccc2OCCCCO)CC1 ZINC000639277634 430596216 /nfs/dbraw/zinc/59/62/16/430596216.db2.gz ZBONVOZRRNFJES-UHFFFAOYSA-N 2 0 320.477 2.800 20 0 DFADRP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]C[C@@H]1CCN(c2ccc(Cl)cc2)C1 ZINC000643452982 430602462 /nfs/dbraw/zinc/60/24/62/430602462.db2.gz BBYCYZRBJKEAGN-ZQIUZPCESA-N 2 0 307.869 2.883 20 0 DFADRP CC[C@H]([NH3+])C(=O)NC[C@@H](CC(C)C)[NH2+][C@@H](C)c1ccccc1 ZINC000571043172 430599125 /nfs/dbraw/zinc/59/91/25/430599125.db2.gz BOGJPXNQIMTYES-UAGQMJEPSA-N 2 0 305.466 2.605 20 0 DFADRP CC[N@H+](CCC[NH2+]C[C@@H](OC)[C@H]1CCOC1)C1CCCCC1 ZINC000639289777 430599621 /nfs/dbraw/zinc/59/96/21/430599621.db2.gz COQLSIYFNVLFTB-FUHWJXTLSA-N 2 0 312.498 2.672 20 0 DFADRP C[C@H](N[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C)[C@H]1CCC[NH2+]C1 ZINC000570440274 430543103 /nfs/dbraw/zinc/54/31/03/430543103.db2.gz ASPMXINCMRUWDB-UMGGQSCQSA-N 2 0 315.505 2.875 20 0 DFADRP CCC(CC)[N@H+](CC)CC(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000571798069 430653781 /nfs/dbraw/zinc/65/37/81/430653781.db2.gz UOLFBRXNEVJFKH-GOSISDBHSA-N 2 0 319.493 2.916 20 0 DFADRP CC(C)[N@@H+]1CC[C@@H](C[NH2+]C2CCN(CCC(F)(F)F)CC2)C1 ZINC000554882132 430654422 /nfs/dbraw/zinc/65/44/22/430654422.db2.gz GUPWBRUXWUPOHS-AWEZNQCLSA-N 3 0 321.431 2.723 20 0 DFADRP C[C@H]([NH2+]C[C@@H]1CCN(c2ccc(F)c(F)c2)C1)[C@H]1CCCC[NH2+]1 ZINC000643453184 430602705 /nfs/dbraw/zinc/60/27/05/430602705.db2.gz MOHWEZFMSFBOHO-SUNYJGFJSA-N 2 0 323.431 2.911 20 0 DFADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]C[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000643457671 430603733 /nfs/dbraw/zinc/60/37/33/430603733.db2.gz WHZUABUHSHFPOR-RLLQIKCJSA-N 3 0 315.505 2.876 20 0 DFADRP Cc1ccc(CC[NH2+]Cc2ccc(C[N@@H+]3CC[C@H](O)C3)cc2)cc1 ZINC000639308014 430603988 /nfs/dbraw/zinc/60/39/88/430603988.db2.gz JZLPKVJOOPOUQZ-NRFANRHFSA-N 2 0 324.468 2.894 20 0 DFADRP C[C@H](N[C@@H](C[NH+]1CCCC1)c1ccccc1)[C@H]1CCC[NH2+]C1 ZINC000643458442 430603982 /nfs/dbraw/zinc/60/39/82/430603982.db2.gz PQXJJGPHDVFQAZ-WDSOQIARSA-N 2 0 301.478 2.801 20 0 DFADRP C[C@@H]([NH2+]CC(C)(C)c1ccc2c(c1)OCCO2)[C@H]1CCC[NH2+]C1 ZINC000643459101 430604220 /nfs/dbraw/zinc/60/42/20/430604220.db2.gz WBJSKBVINTWMNX-CABCVRRESA-N 2 0 318.461 2.713 20 0 DFADRP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+]C1CCN(CC(F)F)CC1 ZINC000643460035 430604660 /nfs/dbraw/zinc/60/46/60/430604660.db2.gz NCLWLPATTUMFFX-UKRRQHHQSA-N 2 0 303.441 2.616 20 0 DFADRP C[C@@H]([NH2+]CC1CC[NH+](Cc2ccncc2)CC1)[C@@H]1CC1(F)F ZINC000639309425 430604742 /nfs/dbraw/zinc/60/47/42/430604742.db2.gz AHEZGGDCPORHCG-CJNGLKHVSA-N 2 0 309.404 2.927 20 0 DFADRP CC(C)[C@H]([NH2+][C@@H](C)C[C@H]1CCCCC[NH2+]1)C(=O)N1CCCC1 ZINC000643470369 430605608 /nfs/dbraw/zinc/60/56/08/430605608.db2.gz JQWWWUGEEVUGKB-BBWFWOEESA-N 2 0 309.498 2.534 20 0 DFADRP CO[C@H](C[NH2+]CC1CC[NH+](Cc2ccncc2)CC1)CC(C)C ZINC000639311554 430606032 /nfs/dbraw/zinc/60/60/32/430606032.db2.gz NQNIXETVRNMSCG-IBGZPJMESA-N 2 0 319.493 2.944 20 0 DFADRP C[C@H]([NH2+]CC1CC[NH+](Cc2ccncc2)CC1)[C@H]1CC1(F)F ZINC000639309427 430606583 /nfs/dbraw/zinc/60/65/83/430606583.db2.gz AHEZGGDCPORHCG-XJKSGUPXSA-N 2 0 309.404 2.927 20 0 DFADRP C[C@H](N[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H]1C)[C@H]1CCC[NH2+]C1 ZINC000643489593 430608429 /nfs/dbraw/zinc/60/84/29/430608429.db2.gz UEZKGXNONWRERA-OGWHTMIXSA-N 2 0 301.478 2.627 20 0 DFADRP C[C@@H](Cc1ccccc1)[NH+]1CCC(NC[C@H]2CCCC[NH2+]2)CC1 ZINC000643502772 430610733 /nfs/dbraw/zinc/61/07/33/430610733.db2.gz QMLKDFFDIFLWGJ-FXAWDEMLSA-N 2 0 315.505 2.814 20 0 DFADRP COc1ccc([C@H](C)[C@H](C)[NH2+][C@@H]2CCC[NH2+]CC2)cc1OC ZINC000643522786 430612496 /nfs/dbraw/zinc/61/24/96/430612496.db2.gz SMBZXEKETXDDIA-IJEWVQPXSA-N 2 0 306.450 2.928 20 0 DFADRP COCCOc1ccc([C@@H](C)[NH2+][C@@H]2CC23CC[NH2+]CC3)cc1 ZINC000643534543 430612879 /nfs/dbraw/zinc/61/28/79/430612879.db2.gz XPCUTSMRKNVZHG-RHSMWYFYSA-N 2 0 304.434 2.505 20 0 DFADRP CC[C@H]([NH2+][C@H]1CC12CC[NH2+]CC2)c1ccc2c(c1)OCCO2 ZINC000643534262 430613462 /nfs/dbraw/zinc/61/34/62/430613462.db2.gz PBYQSEFQTRXYBH-YOEHRIQHSA-N 2 0 302.418 2.641 20 0 DFADRP c1ccc([C@H](C[C@H]2CCOC2)[NH2+][C@H]2CC23CC[NH2+]CC3)cc1 ZINC000643536515 430613895 /nfs/dbraw/zinc/61/38/95/430613895.db2.gz UOJPBEDNHFXPCX-NJAFHUGGSA-N 2 0 300.446 2.886 20 0 DFADRP CC(C)(C)CC(C)(C)[NH+]1CCC(NC[C@@H]2C[C@H](F)C[NH2+]2)CC1 ZINC000643538689 430613909 /nfs/dbraw/zinc/61/39/09/430613909.db2.gz RTYNCISOIKPXBG-HOCLYGCPSA-N 2 0 313.505 2.955 20 0 DFADRP COc1ccccc1C[C@H]([NH2+][C@@H]1CC12CC[NH2+]CC2)C(C)C ZINC000643535387 430614312 /nfs/dbraw/zinc/61/43/12/430614312.db2.gz LLDASVDKDIOLNY-FUHWJXTLSA-N 2 0 302.462 2.994 20 0 DFADRP C[C@H]([NH2+][C@H]1CC12CC[NH2+]CC2)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000643536485 430614316 /nfs/dbraw/zinc/61/43/16/430614316.db2.gz UIPQQWQAEFXIDM-UHOSZYNNSA-N 3 0 313.489 2.629 20 0 DFADRP COc1cc(F)c([C@@H](C)[NH2+][C@H]2CC23CC[NH2+]CC3)cc1OC ZINC000643537056 430614497 /nfs/dbraw/zinc/61/44/97/430614497.db2.gz YNFRIUPPKAWAII-BZNIZROVSA-N 2 0 308.397 2.636 20 0 DFADRP CC(C)[C@@H]([NH2+][C@H]1CC12CC[NH2+]CC2)c1ccc2[nH]c(=O)oc2c1 ZINC000643535064 430614511 /nfs/dbraw/zinc/61/45/11/430614511.db2.gz IKTAZMXLVYPZBU-JKSUJKDBSA-N 2 0 315.417 2.962 20 0 DFADRP CC(=O)Nc1ccc([C@H](C)[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000643549101 430615749 /nfs/dbraw/zinc/61/57/49/430615749.db2.gz AWPVSMGLDNFGJB-BWUSGFMJSA-N 2 0 301.434 2.684 20 0 DFADRP C[C@H]1CCC[N@H+](Cc2ccccc2C[NH2+]CC2(O)CCC2)C1 ZINC000571277360 430617456 /nfs/dbraw/zinc/61/74/56/430617456.db2.gz SQJFYWFTENREGA-INIZCTEOSA-N 2 0 302.462 2.923 20 0 DFADRP [NH3+]C[C@H]1CC[C@H](C[NH2+][C@H](c2ccccc2)c2ccncn2)CC1 ZINC000571313389 430619513 /nfs/dbraw/zinc/61/95/13/430619513.db2.gz WZSWKRHZAZFTQE-GPMSIDNRSA-N 2 0 310.445 2.921 20 0 DFADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C[NH2+]CC[C@H]1CCOC1 ZINC000639359288 430620015 /nfs/dbraw/zinc/62/00/15/430620015.db2.gz KHVJXVREHPLMRM-NZSAHSFTSA-N 2 0 302.462 2.771 20 0 DFADRP O[C@H]1CCN([C@@H]2CCC[C@@H]2[NH2+]C2CCC(=C3CCC3)CC2)C1 ZINC000639370793 430622440 /nfs/dbraw/zinc/62/24/40/430622440.db2.gz DHAQRHJGCZESLL-GBESFXJTSA-N 2 0 304.478 2.987 20 0 DFADRP O[C@H]1CCN([C@@H]2CCC[C@@H]2[NH2+]Cc2ccc(C3CC3)cc2)C1 ZINC000639371319 430622521 /nfs/dbraw/zinc/62/25/21/430622521.db2.gz GKZBPWJQENPYPE-GBESFXJTSA-N 2 0 300.446 2.641 20 0 DFADRP Cc1cccc(CC[C@@H](C)[NH2+][C@@H]2CCC[C@@H]2N2CC[C@H](O)C2)c1 ZINC000639369958 430623197 /nfs/dbraw/zinc/62/31/97/430623197.db2.gz BIAANROWDONBHE-MDNKFWRPSA-N 2 0 316.489 2.893 20 0 DFADRP [NH3+][C@H]1CCO[C@@H](C2CC[NH+](Cc3scnc3C3CC3)CC2)C1 ZINC000571385705 430624313 /nfs/dbraw/zinc/62/43/13/430624313.db2.gz WXBGPXPADCURQY-LSDHHAIUSA-N 2 0 321.490 2.739 20 0 DFADRP CC[NH2+]CCC[NH2+][C@@H](C)CC(=O)Nc1ccc(C)c(Cl)c1 ZINC000571431210 430627744 /nfs/dbraw/zinc/62/77/44/430627744.db2.gz CVVMHLSXWZCLDD-ZDUSSCGKSA-N 2 0 311.857 2.955 20 0 DFADRP CC(C)[C@H](CO)C[NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]12 ZINC000554095006 430627923 /nfs/dbraw/zinc/62/79/23/430627923.db2.gz ASSJIYBFUPLCMD-IYWMVGAKSA-N 2 0 316.489 2.751 20 0 DFADRP COc1ccc([C@H](OC)[C@H](C)[NH2+][C@@H](C)[C@H]2CCC[NH2+]C2)cc1 ZINC000571431469 430628114 /nfs/dbraw/zinc/62/81/14/430628114.db2.gz JGKHBXUEMVEIOZ-ILXVDBEPSA-N 2 0 306.450 2.749 20 0 DFADRP Cc1c(Cl)cccc1NC(=O)CC[NH2+][C@@H]1CC[NH2+]CC[C@@H]1C ZINC000571514210 430633093 /nfs/dbraw/zinc/63/30/93/430633093.db2.gz AEBPMFVEQXSSQZ-SWLSCSKDSA-N 2 0 323.868 2.955 20 0 DFADRP Cc1cccc(OC[C@@H](O)C[NH2+]CC[C@@H](C)[NH+]2CCCCC2)c1 ZINC000571636879 430642085 /nfs/dbraw/zinc/64/20/85/430642085.db2.gz UDYDCYNAVLFBAF-MSOLQXFVSA-N 2 0 320.477 2.589 20 0 DFADRP c1cnc(CC[NH+]2CCC(C[NH+]3CCCCCC3)CC2)cn1 ZINC000639450961 430642474 /nfs/dbraw/zinc/64/24/74/430642474.db2.gz GAWOBMYGMXPYAD-UHFFFAOYSA-N 2 0 302.466 2.607 20 0 DFADRP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cccc3c2CCOC3)[C@H](C)C1 ZINC000639531844 430664383 /nfs/dbraw/zinc/66/43/83/430664383.db2.gz BMZNUDNDEAMKDQ-DNVCBOLYSA-N 2 0 302.462 2.921 20 0 DFADRP C[NH+](C)CCCCC(=O)N(CC[NH+]1CCCCCC1)C1CCC1 ZINC000644153610 430668501 /nfs/dbraw/zinc/66/85/01/430668501.db2.gz AXBDMIPPDLRDON-UHFFFAOYSA-N 2 0 323.525 2.975 20 0 DFADRP C[C@H]1CC(C)(C)C[C@](CO)([NH2+]Cc2ccc3c(c2)C[NH2+]CC3)C1 ZINC000572295169 430680316 /nfs/dbraw/zinc/68/03/16/430680316.db2.gz XZUULPNGRQFJQA-MGPUTAFESA-N 2 0 316.489 2.999 20 0 DFADRP Cc1cccc(NC(=O)C[C@@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)c1 ZINC000556161870 430680521 /nfs/dbraw/zinc/68/05/21/430680521.db2.gz XTGCBXJQANNKHO-CCNLRDMRSA-N 2 0 315.461 2.927 20 0 DFADRP C[C@@H]1CC(C)(C)C[C@](CO)([NH2+]Cc2ccc3c(c2)C[NH2+]CC3)C1 ZINC000572295168 430680674 /nfs/dbraw/zinc/68/06/74/430680674.db2.gz XZUULPNGRQFJQA-FOIQADDNSA-N 2 0 316.489 2.999 20 0 DFADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)C2([NH3+])CCCCC2)C1 ZINC000165126808 278002156 /nfs/dbraw/zinc/00/21/56/278002156.db2.gz PEYQFFBSZBATLK-IYBDPMFKSA-N 2 0 309.498 2.522 20 0 DFADRP C[C@@H](CN1CC[NH+](C)CC1)[NH2+][C@H]1CC(C)(C)Cc2occc21 ZINC000154965096 278261156 /nfs/dbraw/zinc/26/11/56/278261156.db2.gz QZRYGGFZXDZYHA-HOCLYGCPSA-N 2 0 305.466 2.519 20 0 DFADRP C[C@H]([NH2+][C@H]1CCCC[C@@H]1O)c1ccc(OCC[NH+](C)C)cc1 ZINC000187887356 278281162 /nfs/dbraw/zinc/28/11/62/278281162.db2.gz GQGNPCKNDMUMLB-WBAXXEDZSA-N 2 0 306.450 2.581 20 0 DFADRP C[C@@H](C[NH2+][C@@H]1CC(C)(C)c2ccccc21)N1CC[NH+](C)CC1 ZINC000178773881 278284802 /nfs/dbraw/zinc/28/48/02/278284802.db2.gz VSKNORCMJROXSE-MAUKXSAKSA-N 2 0 301.478 2.635 20 0 DFADRP C[C@H]1CCCCC[N@@H+]1CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000354846906 278329358 /nfs/dbraw/zinc/32/93/58/278329358.db2.gz DOTZSINIVZNSEG-WMZOPIPTSA-N 2 0 317.477 2.670 20 0 DFADRP C[NH+](C)[C@H](CN[C@@H]1CC[N@H+](C)[C@H]2CCC[C@@H]21)C1CCCCC1 ZINC000556874959 430695423 /nfs/dbraw/zinc/69/54/23/430695423.db2.gz HRNARYJQZMABII-AKHDSKFASA-N 2 0 307.526 2.959 20 0 DFADRP CC1(C)C[C@@H]([NH2+]C2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)C(C)(C)O1 ZINC000090523798 278368949 /nfs/dbraw/zinc/36/89/49/278368949.db2.gz RQNFSNMPBWMXCW-YESZJQIVSA-N 2 0 324.509 2.690 20 0 DFADRP O=C(Cc1cn2c(n1)CCCC2)Nc1ccccc1-n1ccnc1 ZINC000651082341 430700012 /nfs/dbraw/zinc/70/00/12/430700012.db2.gz KJPSISHRCQMIKX-UHFFFAOYSA-N 2 0 321.384 2.586 20 0 DFADRP [NH3+][C@@H](CCC(=O)N[C@H]1CC[NH2+]C2(CCC2)C1)CC1CCCCC1 ZINC000648187103 430703332 /nfs/dbraw/zinc/70/33/32/430703332.db2.gz KNAOVGBFDYTWQV-IRXDYDNUSA-N 2 0 321.509 2.855 20 0 DFADRP [NH3+][C@H](CCC(=O)N[C@@H]1CC[NH2+]C2(CCC2)C1)CC1CCCCC1 ZINC000648187102 430703385 /nfs/dbraw/zinc/70/33/85/430703385.db2.gz KNAOVGBFDYTWQV-IAGOWNOFSA-N 2 0 321.509 2.855 20 0 DFADRP [NH3+][C@H](CCC(=O)N[C@@H]1CC[NH2+]C12CCCC2)CC1CCCCC1 ZINC000648211683 430713660 /nfs/dbraw/zinc/71/36/60/430713660.db2.gz YAUGKTRFKZIFBX-IAGOWNOFSA-N 2 0 321.509 2.855 20 0 DFADRP c1cc2cc(C[NH2+]C3CCN([C@@H]4CCOC4)CC3)ccc2cn1 ZINC000657751235 430725178 /nfs/dbraw/zinc/72/51/78/430725178.db2.gz HKHZCBDUNIFXAF-LJQANCHMSA-N 2 0 311.429 2.578 20 0 DFADRP c1cnc2cc(C[NH2+]C3CCN([C@@H]4CCOC4)CC3)ccc2c1 ZINC000657750221 430725498 /nfs/dbraw/zinc/72/54/98/430725498.db2.gz DQKTVUSBHKZOMR-GOSISDBHSA-N 2 0 311.429 2.578 20 0 DFADRP c1cnc2cc(C[NH2+]C3CCN([C@H]4CCOC4)CC3)ccc2c1 ZINC000657750222 430725616 /nfs/dbraw/zinc/72/56/16/430725616.db2.gz DQKTVUSBHKZOMR-SFHVURJKSA-N 2 0 311.429 2.578 20 0 DFADRP CCC1(C[NH2+]Cc2ccc(OCC[NH+](C)C)cc2)CCOCC1 ZINC000644432937 430732493 /nfs/dbraw/zinc/73/24/93/430732493.db2.gz BGVKMZSQURMYHR-UHFFFAOYSA-N 2 0 320.477 2.923 20 0 DFADRP CO[C@H](C[NH2+]Cc1ccnn1-c1cc[nH+]cc1)C1CCCCC1 ZINC000657781100 430733311 /nfs/dbraw/zinc/73/33/11/430733311.db2.gz BEBPEFZYMATMMV-GOSISDBHSA-N 2 0 314.433 2.952 20 0 DFADRP c1ccc(C[N@H+]2CC[C@H](C[NH2+][C@H]3COC4(CCC4)C3)C2)cc1 ZINC000657999344 430782873 /nfs/dbraw/zinc/78/28/73/430782873.db2.gz UKFZVAHHQZKJRU-QZTJIDSGSA-N 2 0 300.446 2.810 20 0 DFADRP Cc1nn(C(C)C)cc1C[NH2+]CC1CC[NH+](CC2CC2)CC1 ZINC000657813533 430743280 /nfs/dbraw/zinc/74/32/80/430743280.db2.gz QNOXLNQTVPVDDX-UHFFFAOYSA-N 2 0 304.482 2.984 20 0 DFADRP C([NH2+]CC1CC[NH+](CC2CC2)CC1)c1nc2c(s1)CCC2 ZINC000657813570 430743898 /nfs/dbraw/zinc/74/38/98/430743898.db2.gz SAQKKZARGFJZIQ-UHFFFAOYSA-N 2 0 305.491 2.843 20 0 DFADRP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+][C@@H](c1ccccc1)[C@@H](C)O ZINC000657814286 430744941 /nfs/dbraw/zinc/74/49/41/430744941.db2.gz BYRAFVVDXRYAHL-DNVCBOLYSA-N 2 0 322.412 2.787 20 0 DFADRP CC(C)(C)[NH+]1CCC([NH2+][C@H]2CC[C@](O)(C(F)(F)F)C2)CC1 ZINC000644551597 430750266 /nfs/dbraw/zinc/75/02/66/430750266.db2.gz JXELAKSXJCWASM-GXTWGEPZSA-N 2 0 308.388 2.685 20 0 DFADRP C[C@@H]([NH2+]C[C@@H](O)Cc1cccc(Cl)c1)C1CC[NH+](C)CC1 ZINC000644563061 430755186 /nfs/dbraw/zinc/75/51/86/430755186.db2.gz KFEHEMYMSVEJLH-DYVFJYSZSA-N 2 0 310.869 2.563 20 0 DFADRP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@@H](C)c1cc2ccncc2s1 ZINC000657877067 430758842 /nfs/dbraw/zinc/75/88/42/430758842.db2.gz BORZNTGUOGFZAJ-KGLIPLIRSA-N 2 0 318.490 2.583 20 0 DFADRP C[NH+]1CCC(N2CC[C@@H]([NH2+][C@H]3[C@@H]4CCC[C@@H]4C3(C)C)C2)CC1 ZINC000657881957 430759751 /nfs/dbraw/zinc/75/97/51/430759751.db2.gz ZZRSVLVCBKCOSX-BGTYHANMSA-N 2 0 305.510 2.569 20 0 DFADRP C[C@H](Cc1ccc2c(c1)CCCC2)[NH2+]CC1(O)CC[NH+](C)CC1 ZINC000657887662 430761534 /nfs/dbraw/zinc/76/15/34/430761534.db2.gz NRLUENKMHSJBOG-MRXNPFEDSA-N 2 0 316.489 2.543 20 0 DFADRP C[C@@H]1C[N@@H+](CCCC[NH2+]C2CC(CF)(CF)C2)C[C@H](C)O1 ZINC000657919531 430767603 /nfs/dbraw/zinc/76/76/03/430767603.db2.gz NAJZIYUVDHITQN-OKILXGFUSA-N 2 0 304.425 2.553 20 0 DFADRP CC[NH+]1CCC(NC(=O)C[N@@H+]2CCC(C)(C)CC(C)(C)C2)CC1 ZINC000661626735 430778345 /nfs/dbraw/zinc/77/83/45/430778345.db2.gz LLVXAQCRLQBDHB-UHFFFAOYSA-N 2 0 323.525 2.735 20 0 DFADRP C[C@@H]([NH2+][C@@H](C)CN(C)CCC[NH+](C)C)c1ccc2c(c1)COC2 ZINC000658107312 430812689 /nfs/dbraw/zinc/81/26/89/430812689.db2.gz HCDQXZFYXWIDRL-JKSUJKDBSA-N 2 0 319.493 2.639 20 0 DFADRP COc1ccsc1[C@@H](C)[NH2+][C@@H](C)CN(C)CCC[NH+](C)C ZINC000658105717 430812800 /nfs/dbraw/zinc/81/28/00/430812800.db2.gz CUNTXXXHEUDJOH-UONOGXRCSA-N 2 0 313.511 2.679 20 0 DFADRP C[C@@H](CN(C)CCC[NH+](C)C)[NH2+][C@H]1CCc2ccc(F)cc21 ZINC000658107306 430813632 /nfs/dbraw/zinc/81/36/32/430813632.db2.gz GTPKRBFWSORWJL-KSSFIOAISA-N 2 0 307.457 2.675 20 0 DFADRP C[C@@H]([NH2+][C@@H](C)CN(C)CCC[NH+](C)C)c1ccc(F)cc1F ZINC000658109135 430815438 /nfs/dbraw/zinc/81/54/38/430815438.db2.gz QZLIWGTVVNADSB-UONOGXRCSA-N 2 0 313.436 2.887 20 0 DFADRP C[C@H](CCC1CC1)[NH2+]Cc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1 ZINC000658135957 430819989 /nfs/dbraw/zinc/81/99/89/430819989.db2.gz FXTBNZGOGBGGMH-DNVCBOLYSA-N 2 0 302.462 2.922 20 0 DFADRP CC(C)C1CC([NH2+]Cc2ccc(C[N@@H+]3CC[C@@H](O)C3)cc2)C1 ZINC000658141951 430822576 /nfs/dbraw/zinc/82/25/76/430822576.db2.gz YCPNTGKDFBGPJC-CTWPCTMYSA-N 2 0 302.462 2.777 20 0 DFADRP C[C@H]([NH2+]Cc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1)c1cncs1 ZINC000658136893 430822662 /nfs/dbraw/zinc/82/26/62/430822662.db2.gz FTWPADIPQRHURR-BBRMVZONSA-N 2 0 317.458 2.561 20 0 DFADRP C[C@@H]([NH2+]Cc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1)c1cncs1 ZINC000658136896 430823049 /nfs/dbraw/zinc/82/30/49/430823049.db2.gz FTWPADIPQRHURR-CJNGLKHVSA-N 2 0 317.458 2.561 20 0 DFADRP O[C@@H]1CC[N@H+](Cc2ccc(C[NH2+]C(C3CC3)C3CC3)cc2)C1 ZINC000658140287 430823898 /nfs/dbraw/zinc/82/38/98/430823898.db2.gz PLUSYSPCRQBKEQ-GOSISDBHSA-N 2 0 300.446 2.531 20 0 DFADRP C[C@H]([NH2+]Cc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1)c1cncs1 ZINC000658136902 430824104 /nfs/dbraw/zinc/82/41/04/430824104.db2.gz FTWPADIPQRHURR-XJKSGUPXSA-N 2 0 317.458 2.561 20 0 DFADRP COC[C@H]([NH2+]CC1CC[NH+](Cc2ccncc2)CC1)C(C)C ZINC000658168450 430834403 /nfs/dbraw/zinc/83/44/03/430834403.db2.gz XGTFDPIIRIXAGN-SFHVURJKSA-N 2 0 305.466 2.554 20 0 DFADRP CC[C@@H]1C[C@@H]([NH2+]CCc2ccc(OCC[NH+](C)C)cc2)CCO1 ZINC000648446908 430790801 /nfs/dbraw/zinc/79/08/01/430790801.db2.gz IBNUHSLMCRONIU-ZWKOTPCHSA-N 2 0 320.477 2.717 20 0 DFADRP C[C@H]([NH2+][C@@H]1CCN(C2CC[NH+](C)CC2)C1)[C@H]1CCCC[C@H]1C ZINC000648450654 430791735 /nfs/dbraw/zinc/79/17/35/430791735.db2.gz ZMABPLRHGFSSPP-NTDBWNAOSA-N 2 0 307.526 2.959 20 0 DFADRP C[C@@H]([NH2+][C@@H]1COC(C)(C)C1)c1cccc(OCC[NH+](C)C)c1 ZINC000658058031 430795418 /nfs/dbraw/zinc/79/54/18/430795418.db2.gz LCZZZWBLBFJWAJ-ZBFHGGJFSA-N 2 0 306.450 2.845 20 0 DFADRP CC[C@H]([NH2+]CC1CC[NH+](C2CCOCC2)CC1)C1CCOCC1 ZINC000658066921 430797368 /nfs/dbraw/zinc/79/73/68/430797368.db2.gz GXNIIFHJYAMIHO-IBGZPJMESA-N 2 0 324.509 2.672 20 0 DFADRP FCC[C@H]1CCC[C@@H]1[NH2+]CC1CC[NH+](C2CCOCC2)CC1 ZINC000658070055 430797803 /nfs/dbraw/zinc/79/78/03/430797803.db2.gz KMURSFAUHUJVJJ-AEFFLSMTSA-N 2 0 312.473 2.995 20 0 DFADRP Cc1cc([C@@H](C)[NH2+]CC2CC[NH+](C3CCOCC3)CC2)no1 ZINC000658070830 430797808 /nfs/dbraw/zinc/79/78/08/430797808.db2.gz RPYMHIFRQNBHEQ-CQSZACIVSA-N 2 0 307.438 2.525 20 0 DFADRP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1ccc2[nH]c(=O)oc2c1 ZINC000651454300 430799360 /nfs/dbraw/zinc/79/93/60/430799360.db2.gz AQBJAURWDDWKAL-HLVVYCRESA-N 2 0 301.390 2.809 20 0 DFADRP C[C@H]([NH2+][C@@H](CO)C1CCC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000658088561 430806942 /nfs/dbraw/zinc/80/69/42/430806942.db2.gz UXWLWLOPJKEQMG-IPELMVKDSA-N 2 0 302.462 2.648 20 0 DFADRP CO[C@@H](C[NH2+]C1CC[NH+](CC(C)C)CC1)Cc1ccccc1 ZINC000648653742 430846646 /nfs/dbraw/zinc/84/66/46/430846646.db2.gz AMRYAOKDRYMZDH-LJQANCHMSA-N 2 0 304.478 2.954 20 0 DFADRP CC(C)[NH+]1CCC([NH2+][C@H]2CCC[C@@H]2Cc2cnn(C)c2)CC1 ZINC000658237661 430849646 /nfs/dbraw/zinc/84/96/46/430849646.db2.gz YRGKUPWMAUKJRB-AEFFLSMTSA-N 2 0 304.482 2.594 20 0 DFADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@@H](CO)CC1CC1 ZINC000658246679 430850419 /nfs/dbraw/zinc/85/04/19/430850419.db2.gz FVIDEUHKXOLOOC-LSTHTHJFSA-N 2 0 316.489 2.895 20 0 DFADRP CC[C@]1(C)CCC[C@H]1[NH2+]Cc1cccnc1N1CC[NH+](C)CC1 ZINC000651692647 430852127 /nfs/dbraw/zinc/85/21/27/430852127.db2.gz MWDCIRWLIBFVBJ-IEBWSBKVSA-N 2 0 316.493 2.892 20 0 DFADRP COc1cc(OC)c(C[NH2+]C[C@H]2CCCn3ccnc32)cc1F ZINC000651721488 430857814 /nfs/dbraw/zinc/85/78/14/430857814.db2.gz GDMWNYJSJUEKFV-GFCCVEGCSA-N 2 0 319.380 2.707 20 0 DFADRP C[C@H]1C[NH+](CCCC[NH2+]Cc2cc3cnccc3o2)C[C@H](C)O1 ZINC000651721046 430858348 /nfs/dbraw/zinc/85/83/48/430858348.db2.gz RGWVVYKRASEBPY-GJZGRUSLSA-N 2 0 317.433 2.807 20 0 DFADRP c1cc(C[NH2+][C@@H]2CCC[NH2+]CC2)cc(COC[C@H]2CCCO2)c1 ZINC000665295036 430889219 /nfs/dbraw/zinc/88/92/19/430889219.db2.gz ZZECUBPFCGJVNJ-RTBURBONSA-N 2 0 318.461 2.614 20 0 DFADRP CC(C)(C)[N@@H+]1CC[C@H](N[C@@H]2CC[NH2+][C@H](c3ccccc3)C2)C1 ZINC000665236597 430864756 /nfs/dbraw/zinc/86/47/56/430864756.db2.gz QJONQZHZQNLTNK-SQNIBIBYSA-N 2 0 301.478 2.942 20 0 DFADRP Fc1c(C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)cccc1OC1CC1 ZINC000665244049 430867223 /nfs/dbraw/zinc/86/72/23/430867223.db2.gz FNRXQPXJCPFWFB-VHDGCEQUSA-N 2 0 304.409 2.845 20 0 DFADRP Cc1ccc([C@H](CCn2cncn2)[NH2+]CC2([NH3+])CCCC2)cc1 ZINC000665247647 430867468 /nfs/dbraw/zinc/86/74/68/430867468.db2.gz GXKZFLSRJYIGRE-KRWDZBQOSA-N 2 0 313.449 2.579 20 0 DFADRP CCOc1ccc([C@@H]2CCNC[C@@H]2[NH2+][C@@H](C)CCCC[NH3+])cc1 ZINC000665255028 430870472 /nfs/dbraw/zinc/87/04/72/430870472.db2.gz GVZROQHOKREGJT-SNRMKQJTSA-N 2 0 319.493 2.638 20 0 DFADRP [NH3+]CC1CCC([NH2+][C@@H]2CNCC[C@@H]2c2ccc(F)c(F)c2)CC1 ZINC000665253201 430871097 /nfs/dbraw/zinc/87/10/97/430871097.db2.gz JZIHXGCUYGAMSG-LJIJDPQTSA-N 2 0 323.431 2.517 20 0 DFADRP COc1ccc(-c2cc(C[NH2+][C@@H]3CCC[C@@H]3C[NH3+])on2)cc1 ZINC000665261468 430874718 /nfs/dbraw/zinc/87/47/18/430874718.db2.gz CURAXCFBLRXJTP-CZUORRHYSA-N 2 0 301.390 2.567 20 0 DFADRP Cc1nc(C[NH3+])ccc1[C@H](C)N[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000665267239 430876624 /nfs/dbraw/zinc/87/66/24/430876624.db2.gz SJLJMBSYQCZCQI-RDJZCZTQSA-N 2 0 316.493 2.906 20 0 DFADRP COC[C@@H](CCC[NH3+])[NH2+]Cc1sc(C)cc1Br ZINC000665266595 430876899 /nfs/dbraw/zinc/87/68/99/430876899.db2.gz FTNMTSUZQREQOF-SNVBAGLBSA-N 2 0 321.284 2.663 20 0 DFADRP Cn1ncc(C2CCC2)c1C[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000665274399 430878543 /nfs/dbraw/zinc/87/85/43/430878543.db2.gz PJNKRIKNAUTJSK-DJIMGWMZSA-N 2 0 302.466 2.698 20 0 DFADRP C[C@H](c1ccccc1)[C@H](O)C[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@@H]21 ZINC000658337947 430879546 /nfs/dbraw/zinc/87/95/46/430879546.db2.gz BLTOVRHKLUTGGU-WSIUPNEHSA-N 2 0 302.462 2.613 20 0 DFADRP CC(C)[C@H]([NH3+])CCN[C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000665281202 430880416 /nfs/dbraw/zinc/88/04/16/430880416.db2.gz XARMDJHDBABZIF-QXAKKESOSA-N 2 0 303.494 2.860 20 0 DFADRP CC(C)[C@H]([NH3+])CC[NH2+]C1CCC2(CC1)c1ccccc1NC2=O ZINC000665281320 430881260 /nfs/dbraw/zinc/88/12/60/430881260.db2.gz ZNXUMVCTKCTDMU-NLGTXKQRSA-N 2 0 315.461 2.782 20 0 DFADRP Cc1ncc([C@@H](C)[NH2+]CC2CC[NH+](CC3CC3)CC2)c(C)n1 ZINC000658355321 430882897 /nfs/dbraw/zinc/88/28/97/430882897.db2.gz IAUCTKSHXQVJSU-CYBMUJFWSA-N 2 0 302.466 2.866 20 0 DFADRP C[NH2+]CCCC(=O)N1CCC([NH2+][C@H](C)c2cccc(C)c2)CC1 ZINC000665285595 430882945 /nfs/dbraw/zinc/88/29/45/430882945.db2.gz QYJISAWNCUPHHH-MRXNPFEDSA-N 2 0 317.477 2.636 20 0 DFADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@H]2CCN2Cc2ccccc2)[C@@H](C)C1 ZINC000658349918 430883567 /nfs/dbraw/zinc/88/35/67/430883567.db2.gz VPLRAMHVBLLZNM-UHOSZYNNSA-N 2 0 301.478 2.581 20 0 DFADRP C[NH2+]CCCC(=O)N1CCC([NH2+][C@H](C)c2ccccc2C)CC1 ZINC000665285791 430883743 /nfs/dbraw/zinc/88/37/43/430883743.db2.gz WYFAWAGCJLMLKG-MRXNPFEDSA-N 2 0 317.477 2.636 20 0 DFADRP CC(C)(C)C[C@@H]([NH2+]Cc1nc(C[NH3+])cc(=O)[nH]1)c1ccccc1 ZINC000665291507 430885955 /nfs/dbraw/zinc/88/59/55/430885955.db2.gz CWNLPIBAZYBMNC-OAHLLOKOSA-N 2 0 314.433 2.908 20 0 DFADRP C[NH2+]CCCC(=O)N1CCC([NH2+][C@H](C)c2cc(C)c(C)o2)CC1 ZINC000665288978 430886893 /nfs/dbraw/zinc/88/68/93/430886893.db2.gz CGJGMQFDHHUGSI-CQSZACIVSA-N 2 0 321.465 2.538 20 0 DFADRP COc1ccccc1-c1cc(C[NH2+][C@H](C)CCCC[NH3+])on1 ZINC000665299187 430888791 /nfs/dbraw/zinc/88/87/91/430888791.db2.gz IERBSFVRZOIMAE-CYBMUJFWSA-N 2 0 303.406 2.957 20 0 DFADRP C[NH+](C)CCOc1ccc(CNc2ccc3c([nH+]2)CCC3)cc1 ZINC000648807418 430900648 /nfs/dbraw/zinc/90/06/48/430900648.db2.gz OMZMRNXYDXVICC-UHFFFAOYSA-N 2 0 311.429 2.545 20 0 DFADRP CC(C)(C)[NH+]1CCC([NH2+]C[C@@]2(CO)CCc3ccccc32)CC1 ZINC000651884825 430905779 /nfs/dbraw/zinc/90/57/79/430905779.db2.gz QJMHJEWQOTUBJZ-HXUWFJFHSA-N 2 0 316.489 2.715 20 0 DFADRP C[C@H]1CC[N@H+](CC(=O)Nc2ccc3c(c2)CC[C@H]3[NH+](C)C)C1 ZINC000655130787 430905921 /nfs/dbraw/zinc/90/59/21/430905921.db2.gz YOEJJDQNPAXOGX-SUMWQHHRSA-N 2 0 301.434 2.516 20 0 DFADRP CC(C)[C@@H](C(=O)N(C)[C@@H](C)C1CC[NH+](C)CC1)[NH+]1CCCCC1 ZINC000648845270 430912049 /nfs/dbraw/zinc/91/20/49/430912049.db2.gz QBPDIVMGIAVWGG-WMZOPIPTSA-N 2 0 323.525 2.686 20 0 DFADRP CC(C)[N@@H+]1CC[C@@H](N(C)Cc2ccc(OCC[NH+](C)C)cc2)C1 ZINC000648872456 430921620 /nfs/dbraw/zinc/92/16/20/430921620.db2.gz BTDHYBCNFWTYAR-GOSISDBHSA-N 2 0 319.493 2.542 20 0 DFADRP CC[C@H]([NH2+]C[C@H](C)C[NH+](C)C)c1cc(OC)c(OC)c(OC)c1 ZINC000652201153 430986419 /nfs/dbraw/zinc/98/64/19/430986419.db2.gz XCCVYNPRVQBFLH-ZFWWWQNUSA-N 2 0 324.465 2.951 20 0 DFADRP Cc1noc(C2CCC([NH2+]CCC[N@@H+](C)CC(C)C)CC2)n1 ZINC000652221924 430991944 /nfs/dbraw/zinc/99/19/44/430991944.db2.gz AGMGYNIPZQWVRQ-UHFFFAOYSA-N 2 0 308.470 2.972 20 0 DFADRP CC(C)C[N@H+](C)CCC[NH2+][C@H](C)c1ccccc1-n1ccnn1 ZINC000652222878 430993084 /nfs/dbraw/zinc/99/30/84/430993084.db2.gz ZRGAFQBIDMOCOA-MRXNPFEDSA-N 2 0 315.465 2.896 20 0 DFADRP CC[N@@H+](Cc1ccc(Cl)s1)C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662248782 431011912 /nfs/dbraw/zinc/01/19/12/431011912.db2.gz JHLOZLKRPSWPCE-NSHDSACASA-N 2 0 300.855 2.744 20 0 DFADRP C[N@@H+](Cc1ccc(C(C)(C)C)cc1)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662249169 431011993 /nfs/dbraw/zinc/01/19/93/431011993.db2.gz ILOMPSZKNLRDNB-QGZVFWFLSA-N 2 0 302.462 2.937 20 0 DFADRP FC1(F)Oc2ccc(CC[N@H+](C3CC3)C3CC[NH2+]CC3)cc2O1 ZINC000662233492 431007723 /nfs/dbraw/zinc/00/77/23/431007723.db2.gz FCBMLCMWYJSWQE-UHFFFAOYSA-N 2 0 324.371 2.767 20 0 DFADRP Fc1ccc(CC2CC[NH+](C[C@@H]3CCC4(C[NH2+]C4)O3)CC2)cc1 ZINC000662257430 431019769 /nfs/dbraw/zinc/01/97/69/431019769.db2.gz OHXJZBJENFCZLA-SFHVURJKSA-N 2 0 318.436 2.601 20 0 DFADRP COc1ccccc1[C@H]1CCCC[N@@H+]1C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662258503 431019849 /nfs/dbraw/zinc/01/98/49/431019849.db2.gz VOALQPCFQNFXJG-DOTOQJQBSA-N 2 0 316.445 2.743 20 0 DFADRP CC[C@H](Cc1ccccc1)[N@H+](CC)C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662258679 431020512 /nfs/dbraw/zinc/02/05/12/431020512.db2.gz YZBMQWPYERKXJW-MSOLQXFVSA-N 2 0 302.462 2.851 20 0 DFADRP CC(C)c1nc2c(n1C)CCN(Cc1cccc3c1CC[NH2+]C3)C2 ZINC000662264989 431021768 /nfs/dbraw/zinc/02/17/68/431021768.db2.gz VJPPLNRZGSDISC-UHFFFAOYSA-N 2 0 324.472 2.748 20 0 DFADRP COc1ccc(-c2cc(CN(C)[C@H]3CCC[NH2+]CC3)on2)cc1 ZINC000662265468 431022316 /nfs/dbraw/zinc/02/23/16/431022316.db2.gz BQIVCBLBYRLAKV-HNNXBMFYSA-N 2 0 315.417 2.924 20 0 DFADRP COc1cccc(SCC[N@@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)c1 ZINC000662265201 431023118 /nfs/dbraw/zinc/02/31/18/431023118.db2.gz GIEXBMFOXASPQL-RRQGHBQHSA-N 2 0 306.475 2.847 20 0 DFADRP CC[C@H]1CN2CCCC[C@@H]2C[N@@H+]1Cc1cccc2c1CC[NH2+]C2 ZINC000662266180 431023139 /nfs/dbraw/zinc/02/31/39/431023139.db2.gz YSQCWHMPZRUSES-RBUKOAKNSA-N 2 0 313.489 2.781 20 0 DFADRP CC[C@H]1CN2CCCC[C@H]2C[N@@H+]1Cc1ccc2c(c1)C[NH2+]CC2 ZINC000652339448 431024542 /nfs/dbraw/zinc/02/45/42/431024542.db2.gz VZNWDYJMAONKDE-PMACEKPBSA-N 2 0 313.489 2.781 20 0 DFADRP CC[N@H+](CCCNC(=O)C[C@@H]1CCC[NH2+]C1)C1CCCCC1 ZINC000655484823 431025283 /nfs/dbraw/zinc/02/52/83/431025283.db2.gz YJCDTWSHPKECLH-INIZCTEOSA-N 2 0 309.498 2.537 20 0 DFADRP C[NH2+]C[C@](C)(O)C[N@H+]1Cc2ccccc2[C@H](c2ccccc2)C1 ZINC000652336860 431026209 /nfs/dbraw/zinc/02/62/09/431026209.db2.gz IJRLXBGAEFAUOY-PMACEKPBSA-N 2 0 310.441 2.605 20 0 DFADRP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCC[N@H+](CCCc3ccsc3)C2)C1 ZINC000652349314 431027473 /nfs/dbraw/zinc/02/74/73/431027473.db2.gz KGFWIRBAECBDFV-ZACQAIPSSA-N 2 0 308.491 2.899 20 0 DFADRP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCC[N@H+](CCSc3ccccc3)C2)C1 ZINC000652347975 431027500 /nfs/dbraw/zinc/02/75/00/431027500.db2.gz QOTXLPNNRAXFMI-JFIYKMOQSA-N 2 0 320.502 2.997 20 0 DFADRP [NH3+]C[C@]12CCC[C@H]1CN(CCOc1ccc(F)cc1Cl)C2 ZINC000652352335 431027973 /nfs/dbraw/zinc/02/79/73/431027973.db2.gz GVSYFAYDOHIVSZ-LRDDRELGSA-N 2 0 312.816 2.919 20 0 DFADRP [NH3+]C[C@]12CCC[C@H]1CN(Cc1ccn(-c3ccc(F)cc3)n1)C2 ZINC000652352207 431028185 /nfs/dbraw/zinc/02/81/85/431028185.db2.gz SJOBJUGDDWGOJL-KSSFIOAISA-N 2 0 314.408 2.572 20 0 DFADRP CCC(C)(C)[NH+]1CCN(C(=O)CC[C@H]([NH3+])c2ccccc2)CC1 ZINC000655495500 431028416 /nfs/dbraw/zinc/02/84/16/431028416.db2.gz ZZKJIOJOCSRHGK-KRWDZBQOSA-N 2 0 317.477 2.799 20 0 DFADRP c1ccc(COCC[N@@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)cc1 ZINC000662271992 431028582 /nfs/dbraw/zinc/02/85/82/431028582.db2.gz ASVAIIFLUFFOSG-RTBURBONSA-N 2 0 302.462 2.915 20 0 DFADRP C[C@@H]1CCC[N@H+](CCc2nc3ccccc3n2C)[C@@H]1CC[NH3+] ZINC000652355574 431029142 /nfs/dbraw/zinc/02/91/42/431029142.db2.gz ADDFVIUEXAVRQP-GDBMZVCRSA-N 2 0 300.450 2.565 20 0 DFADRP CC1(C)CCCC[C@@H]1C[N@@H+]1CC2(CC[NH2+]CC2)[C@@H]2COC[C@@H]21 ZINC000662282109 431032572 /nfs/dbraw/zinc/03/25/72/431032572.db2.gz RYNPCMJWZLFGTD-ZACQAIPSSA-N 2 0 306.494 2.903 20 0 DFADRP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCC[N@@H+]2CCOc2ccc(F)cc2)C1 ZINC000652360788 431033016 /nfs/dbraw/zinc/03/30/16/431033016.db2.gz QJSNTBUHJWKBAN-KBAYOESNSA-N 2 0 322.424 2.565 20 0 DFADRP CO[C@H](C[NH+]1CCC([C@@H]2C[C@H]([NH3+])CCO2)CC1)c1ccccc1 ZINC000662282098 431033409 /nfs/dbraw/zinc/03/34/09/431033409.db2.gz RSVMQMVJJSKPJM-CEXWTWQISA-N 2 0 318.461 2.592 20 0 DFADRP CC(C)C[C@H](C)N(C)C(=O)C[NH+]1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000662290998 431034577 /nfs/dbraw/zinc/03/45/77/431034577.db2.gz AZKZOQAJOYNIOB-FUHWJXTLSA-N 2 0 323.525 2.591 20 0 DFADRP COCC[NH2+]C1CC[NH+](CC[C@@H]2CCc3ccccc32)CC1 ZINC000662287086 431034847 /nfs/dbraw/zinc/03/48/47/431034847.db2.gz VVHHWQHNJZLLPQ-KRWDZBQOSA-N 2 0 302.462 2.807 20 0 DFADRP CCn1cc(C[N@H+](Cc2cccc3c2CC[NH2+]C3)C(C)C)cn1 ZINC000662287339 431035966 /nfs/dbraw/zinc/03/59/66/431035966.db2.gz ZCQDRIQRPGXMKC-UHFFFAOYSA-N 2 0 312.461 2.959 20 0 DFADRP O=C(CC[NH+]1CCC([C@H]2CCC[NH2+]C2)CC1)Nc1ccccc1 ZINC000662290493 431036159 /nfs/dbraw/zinc/03/61/59/431036159.db2.gz DTHVIORUHCQIQL-KRWDZBQOSA-N 2 0 315.461 2.727 20 0 DFADRP C(c1noc2c1CCCC2)[NH+]1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000662291534 431036174 /nfs/dbraw/zinc/03/61/74/431036174.db2.gz HRZCPGYAOVEZDM-OAHLLOKOSA-N 2 0 303.450 2.765 20 0 DFADRP C[C@@H](c1nc(C2CC2)no1)[N@@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662294665 431036322 /nfs/dbraw/zinc/03/63/22/431036322.db2.gz DNYGORYKYSUBGO-SWLSCSKDSA-N 2 0 304.438 2.720 20 0 DFADRP C[C@@H]1CCCC[C@H]1NC(=O)C[N@@H+]1CCC[C@@H](C)[C@H]1CCC[NH3+] ZINC000662313350 431045083 /nfs/dbraw/zinc/04/50/83/431045083.db2.gz LAFLMMPSZPVKAL-QBPKDAKJSA-N 2 0 309.498 2.521 20 0 DFADRP CO[C@H](C[N@@H+]1CCO[C@H](CCC[NH+](C)C)C1)C1CCCCC1 ZINC000662325911 431046413 /nfs/dbraw/zinc/04/64/13/431046413.db2.gz LDWVDNIOHLUOSP-QZTJIDSGSA-N 2 0 312.498 2.624 20 0 DFADRP C[NH+](C)CCC[C@H]1C[N@H+](CCCCOc2ccccc2)CCO1 ZINC000662318962 431046598 /nfs/dbraw/zinc/04/65/98/431046598.db2.gz CHRDWDYLQCFSHN-IBGZPJMESA-N 2 0 320.477 2.888 20 0 DFADRP Cc1ccc(CCC[N@@H+]2CCO[C@@H](CCC[NH+](C)C)C2)cc1 ZINC000662324736 431047220 /nfs/dbraw/zinc/04/72/20/431047220.db2.gz BXLXCCRFHUVZIF-IBGZPJMESA-N 2 0 304.478 2.970 20 0 DFADRP CC1(C)C[NH2+][C@H]1C(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC000645673795 431047584 /nfs/dbraw/zinc/04/75/84/431047584.db2.gz IRQHEBHMEZZEHA-KRWDZBQOSA-N 2 0 315.461 2.652 20 0 DFADRP COc1ccccc1CCC[N@@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000662325674 431047794 /nfs/dbraw/zinc/04/77/94/431047794.db2.gz PGOWQBLSQSLOBH-GOSISDBHSA-N 2 0 320.477 2.670 20 0 DFADRP CC[C@H]([NH2+]C)C(=O)Nc1ccc(C[NH+]2CCC(C)CC2)cc1 ZINC000662388447 431070081 /nfs/dbraw/zinc/07/00/81/431070081.db2.gz PJFLIAZRTHULMV-KRWDZBQOSA-N 2 0 303.450 2.855 20 0 DFADRP CN(C)c1nc(N2CCC[C@@H](n3ccnc3)C2)nc2ccccc21 ZINC000649267899 431050799 /nfs/dbraw/zinc/05/07/99/431050799.db2.gz HWQBFAOQFYUQTG-CQSZACIVSA-N 2 0 322.416 2.734 20 0 DFADRP CC[C@H]([NH2+]C)C(=O)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000662343049 431053399 /nfs/dbraw/zinc/05/33/99/431053399.db2.gz OAKDETMDZRQUJD-JKSUJKDBSA-N 2 0 323.868 2.591 20 0 DFADRP C[NH+](C)C[C@@H](NC(=O)C[C@@H]1[NH2+]Cc2ccccc21)c1ccccc1 ZINC000662356151 431056448 /nfs/dbraw/zinc/05/64/48/431056448.db2.gz NCHXPQHCRGYXOS-RBUKOAKNSA-N 2 0 323.440 2.640 20 0 DFADRP CC(C)[NH+]1CCC(N(C)C(=O)[C@H]([NH3+])c2cccc(Cl)c2)CC1 ZINC000649285404 431057983 /nfs/dbraw/zinc/05/79/83/431057983.db2.gz XLMFNQNSILVISP-MRXNPFEDSA-N 2 0 323.868 2.671 20 0 DFADRP C[N@H+](CCN1CCC[C@@H]1[C@@H]1CCC[NH+]1C)Cc1ccccc1 ZINC000649296962 431061001 /nfs/dbraw/zinc/06/10/01/431061001.db2.gz VIHGIIDKFIERQZ-RBUKOAKNSA-N 2 0 301.478 2.677 20 0 DFADRP C[C@@H](NC(=O)CC[C@H]([NH3+])CC1CCCCC1)C1CC[NH+](C)CC1 ZINC000649314661 431065733 /nfs/dbraw/zinc/06/57/33/431065733.db2.gz INDYZCXOJJODHU-QAPCUYQASA-N 2 0 323.525 2.911 20 0 DFADRP CC(C)[C@H]([NH3+])CC(=O)Nc1ccccc1NC1CC[NH+](C)CC1 ZINC000649315178 431065955 /nfs/dbraw/zinc/06/59/55/431065955.db2.gz RFZXLQJABORGCU-OAHLLOKOSA-N 2 0 318.465 2.505 20 0 DFADRP C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)c1cccc2c1C[NH2+]C2 ZINC000662389001 431068588 /nfs/dbraw/zinc/06/85/88/431068588.db2.gz RZGZYACGQUHVLD-OAHLLOKOSA-N 2 0 315.461 2.674 20 0 DFADRP Fc1ccc(C[N@H+](CC2CC2)C[C@@H]2CCC3(C[NH2+]C3)O2)cc1 ZINC000662255503 431014996 /nfs/dbraw/zinc/01/49/96/431014996.db2.gz QLYHKEMFYUZUIR-KRWDZBQOSA-N 2 0 304.409 2.559 20 0 DFADRP C[C@@H]1C[C@H](c2ccccc2F)[N@H+](C[C@H]2CCC3(C[NH2+]C3)O2)C1 ZINC000662253976 431015241 /nfs/dbraw/zinc/01/52/41/431015241.db2.gz CTZCVLQARFBKDA-CKEIUWERSA-N 2 0 304.409 2.730 20 0 DFADRP Clc1ccc([C@H]2CCC[N@@H+]2C[C@H]2CCC3(C[NH2+]C3)O2)cc1 ZINC000662251138 431016642 /nfs/dbraw/zinc/01/66/42/431016642.db2.gz ZVFMXXXNLQINFA-HZPDHXFCSA-N 2 0 306.837 2.998 20 0 DFADRP c1cc(C[N@@H+]2CCC[C@@]3(CCCOC3)C2)c2c(c1)C[NH2+]CC2 ZINC000662258202 431017690 /nfs/dbraw/zinc/01/76/90/431017690.db2.gz XXABNEJLRNDKRV-LJQANCHMSA-N 2 0 300.446 2.725 20 0 DFADRP Cc1cccc([C@@H]2CCC[N@@H+]2C[C@H]2CCC3(C[NH2+]C3)O2)c1C ZINC000662256229 431017810 /nfs/dbraw/zinc/01/78/10/431017810.db2.gz JOJUBPZCXDXKNX-AEFFLSMTSA-N 2 0 300.446 2.961 20 0 DFADRP Cc1cccc([C@H]2CCC[N@@H+]2C[C@H]2CCC3(C[NH2+]C3)O2)c1C ZINC000662256231 431018960 /nfs/dbraw/zinc/01/89/60/431018960.db2.gz JOJUBPZCXDXKNX-SJLPKXTDSA-N 2 0 300.446 2.961 20 0 DFADRP c1ccc(SC[C@@H]2CC[N@H+](C[C@H]3CCC4(C[NH2+]C4)O3)C2)cc1 ZINC000662256354 431019313 /nfs/dbraw/zinc/01/93/13/431019313.db2.gz IMJLILDXSCJXNX-HZPDHXFCSA-N 2 0 318.486 2.622 20 0 DFADRP CC(C)N1CCCC[C@@H]1C[N@H+](C)C[C@@H]1CCc2nccn2C1 ZINC000649460668 431108588 /nfs/dbraw/zinc/10/85/88/431108588.db2.gz KBLODHVTGIUNID-DLBZAZTESA-N 2 0 304.482 2.640 20 0 DFADRP O[C@H](C[NH2+][C@@H]1CCc2cccc(Cl)c2C1)C[NH+]1CCCCC1 ZINC000666085005 431111732 /nfs/dbraw/zinc/11/17/32/431111732.db2.gz PYGWVCYVCBLECH-HZPDHXFCSA-N 2 0 322.880 2.634 20 0 DFADRP CCCC[N@H+](C)CC1CC[NH+](CCc2cncc(C)n2)CC1 ZINC000649489729 431119570 /nfs/dbraw/zinc/11/95/70/431119570.db2.gz FBUOQQASFKDOAA-UHFFFAOYSA-N 2 0 304.482 2.771 20 0 DFADRP CC[C@@H]([NH2+]C)C(=O)Nc1ccc(SCC[NH+]2CCCC2)cc1 ZINC000662584526 431123467 /nfs/dbraw/zinc/12/34/67/431123467.db2.gz PFLYBKAFVRAZQT-MRXNPFEDSA-N 2 0 321.490 2.811 20 0 DFADRP C[C@H]([NH3+])c1ccc(C(=O)NC[C@@H]2CC[N@@H+](C(C)(C)C)C2)cc1 ZINC000662592706 431125016 /nfs/dbraw/zinc/12/50/16/431125016.db2.gz JQDDROOEVZWUGL-KBPBESRZSA-N 2 0 303.450 2.557 20 0 DFADRP Cc1ccc([C@H](CNC(=O)c2cccc3c2C[NH2+]C3)[NH+](C)C)cc1 ZINC000662418529 431076068 /nfs/dbraw/zinc/07/60/68/431076068.db2.gz UZFKMEVEEZNHOJ-IBGZPJMESA-N 2 0 323.440 2.631 20 0 DFADRP C[C@H]1CCCC[N@@H+]1CCC1CCN(C(=O)CC(C)(C)[NH3+])CC1 ZINC000649378698 431081727 /nfs/dbraw/zinc/08/17/27/431081727.db2.gz XKQGOVIKUUMPRA-HNNXBMFYSA-N 2 0 309.498 2.617 20 0 DFADRP Cc1cc2c(c(C)c1)[C@H]([NH2+]CC(C)(C)N1CC[NH+](C)CC1)CC2 ZINC000655687248 431082877 /nfs/dbraw/zinc/08/28/77/431082877.db2.gz WGOKEIJWYSDZTB-GOSISDBHSA-N 2 0 315.505 2.906 20 0 DFADRP CC[NH+]1CCN([C@@H](C)C[NH2+][C@@H]2CCc3cc(C)cc(C)c32)CC1 ZINC000655690080 431086018 /nfs/dbraw/zinc/08/60/18/431086018.db2.gz USSKCZVXYYEGCQ-PKOBYXMFSA-N 2 0 315.505 2.906 20 0 DFADRP Cc1noc(C)c1[C@@H](C)NC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000655714636 431094178 /nfs/dbraw/zinc/09/41/78/431094178.db2.gz BLCICOAWNAUJNT-MLGOLLRUSA-N 2 0 307.438 2.585 20 0 DFADRP c1ccc(C[N@H+]2CCC[C@]3(CCN(C[C@H]4CC[NH2+]C4)C3)C2)cc1 ZINC000649412907 431094358 /nfs/dbraw/zinc/09/43/58/431094358.db2.gz DAEPSCMQKVQDTH-PMACEKPBSA-N 2 0 313.489 2.584 20 0 DFADRP Cc1cccc2nc(C[N@@H+]3CCC[C@@H]([C@@H]4CCC[NH2+]C4)C3)cn21 ZINC000649418046 431096016 /nfs/dbraw/zinc/09/60/16/431096016.db2.gz XOULZRHSYLVDMQ-IAGOWNOFSA-N 2 0 312.461 2.854 20 0 DFADRP CN(CC[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1)c1ccccc1 ZINC000649418221 431096317 /nfs/dbraw/zinc/09/63/17/431096317.db2.gz JRUMOBICHUEVHQ-ZWKOTPCHSA-N 2 0 301.478 2.834 20 0 DFADRP Cc1cc(C)n(-c2ccc(CN3CC[C@@H]4CC[NH2+][C@@H]4C3)cc2)n1 ZINC000649419030 431096691 /nfs/dbraw/zinc/09/66/91/431096691.db2.gz CAHSBVKPNFZFKC-PKOBYXMFSA-N 2 0 310.445 2.673 20 0 DFADRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H]2CC[C@@H](C)SC2)[C@H](C)C1 ZINC000655714862 431096969 /nfs/dbraw/zinc/09/69/69/431096969.db2.gz FNVSYYKMVVRRHD-VQHPVUNQSA-N 2 0 314.539 2.997 20 0 DFADRP C[NH2+]Cc1ccc(NC(=O)NCCC[N@H+](C)CC(C)C)cc1 ZINC000652611513 431100664 /nfs/dbraw/zinc/10/06/64/431100664.db2.gz LWCVAMPOZPGZIP-UHFFFAOYSA-N 2 0 306.454 2.505 20 0 DFADRP Cc1cc(C[NH+](C)C)cc(NC(=O)c2cccc3c2C[NH2+]C3)c1 ZINC000662508870 431100780 /nfs/dbraw/zinc/10/07/80/431100780.db2.gz GYRWUGSIXJFXHB-UHFFFAOYSA-N 2 0 309.413 2.912 20 0 DFADRP CC[N@H+](CCCNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1)C1CCCCC1 ZINC000652756793 431126084 /nfs/dbraw/zinc/12/60/84/431126084.db2.gz UEJUFYOJQNIAQY-IRXDYDNUSA-N 2 0 323.525 2.878 20 0 DFADRP C[NH+](C)[C@@H](CNC(=O)C[C@H]1[NH2+]Cc2ccccc21)c1ccccc1 ZINC000662523163 431104313 /nfs/dbraw/zinc/10/43/13/431104313.db2.gz JKLILGIQWSNAFP-MOPGFXCFSA-N 2 0 323.440 2.640 20 0 DFADRP CC[NH+](CC)CCC[C@@H](C)NC(=O)C[C@@H]1[NH2+]Cc2ccccc21 ZINC000662523655 431104999 /nfs/dbraw/zinc/10/49/99/431104999.db2.gz QHZVCSCAIVPWRI-QAPCUYQASA-N 2 0 317.477 2.848 20 0 DFADRP C[C@@H]1CC[C@H]([NH2+]C2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)CS1 ZINC000655733166 431105495 /nfs/dbraw/zinc/10/54/95/431105495.db2.gz JUBXUPWGKXYJQK-BSWAZPDLSA-N 2 0 312.523 2.628 20 0 DFADRP CN(CCC[N@H+](C)C[C@@H]1CCn2ccnc2C1)c1ccccc1 ZINC000645892687 431105751 /nfs/dbraw/zinc/10/57/51/431105751.db2.gz GPNARSCMBIGZNE-QGZVFWFLSA-N 2 0 312.461 2.904 20 0 DFADRP C[C@@H]1Cc2ccccc2[C@@H]1[NH2+]C1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000271513520 279021712 /nfs/dbraw/zinc/02/17/12/279021712.db2.gz ODJMHFBOUSADMA-QRKUABHPSA-N 2 0 314.473 2.887 20 0 DFADRP CC[N@H+](C)[C@@H](C(=O)NCc1ccc2c(c1)C[NH2+]C2)c1ccccc1 ZINC000188707049 279043186 /nfs/dbraw/zinc/04/31/86/279043186.db2.gz HVINOVLCQVPFEF-LJQANCHMSA-N 2 0 323.440 2.599 20 0 DFADRP CC[N@H+](C)[C@H](C(=O)N(C)[C@H]1CC[NH+](C)[C@@H](C)C1)c1ccccc1 ZINC000266040349 279043991 /nfs/dbraw/zinc/04/39/91/279043991.db2.gz CFTFJOSDFPRAOX-SZMVWBNQSA-N 2 0 317.477 2.621 20 0 DFADRP C[C@H]([NH2+][C@H]1c2sccc2OC(C)(C)[C@@H]1O)C1CC[NH+](C)CC1 ZINC000666165800 431134413 /nfs/dbraw/zinc/13/44/13/431134413.db2.gz KDKGOIATEUOGOX-HZUKXOBISA-N 2 0 324.490 2.641 20 0 DFADRP CC[NH+](CC)CC(=O)NC[C@H](c1ccc(C)cc1)[NH+]1CCCC1 ZINC000061502436 279089896 /nfs/dbraw/zinc/08/98/96/279089896.db2.gz TWRVJISSUAJLKR-GOSISDBHSA-N 2 0 317.477 2.590 20 0 DFADRP CC(C)C[C@H](CNC(=O)CC(C)(C)[NH3+])[NH2+][C@@H](C)c1ccccc1 ZINC000645964356 431132226 /nfs/dbraw/zinc/13/22/26/431132226.db2.gz FSXKGLFSHYGZSO-DOTOQJQBSA-N 2 0 319.493 2.996 20 0 DFADRP CC[NH+](CC)[C@@H](C(=O)NC[C@@H]1CC[N@H+](CC)C1)c1ccccc1 ZINC000109120954 279141366 /nfs/dbraw/zinc/14/13/66/279141366.db2.gz VALMPTNGRGORFT-FUHWJXTLSA-N 2 0 317.477 2.528 20 0 DFADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1NC1CC[NH+](CC2CCCC2)CC1 ZINC000178158726 288102069 /nfs/dbraw/zinc/10/20/69/288102069.db2.gz NDFCZZNXJQTQEK-JTDSTZFVSA-N 2 0 307.526 2.959 20 0 DFADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1[NH2+]C[C@@H](c1ccc(F)cc1)N(C)C ZINC000124807207 288102217 /nfs/dbraw/zinc/10/22/17/288102217.db2.gz VAOZAMPYGWQFCR-BODMPHMZSA-N 2 0 307.457 2.747 20 0 DFADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1[NH2+]CCc1cc(F)cc2c1OCOC2 ZINC000120696807 288102301 /nfs/dbraw/zinc/10/23/01/288102301.db2.gz QYYAUMOBJUNJOP-IGCXYCKISA-N 2 0 322.424 2.553 20 0 DFADRP C[C@@]1(C[N@@H+]2CCC[C@@H](n3ccc(C(F)(F)F)n3)C2)CC[NH2+]C1 ZINC000261998164 279159072 /nfs/dbraw/zinc/15/90/72/279159072.db2.gz LAFSHWFRKYFNML-TZMCWYRMSA-N 2 0 316.371 2.538 20 0 DFADRP C[C@@H]([NH2+]CC[C@H]1CCC[N@H+](C)C1)c1ccc2[nH]c(=O)oc2c1 ZINC000666172098 431135827 /nfs/dbraw/zinc/13/58/27/431135827.db2.gz ANYCFRLNYLOVBI-CHWSQXEVSA-N 2 0 303.406 2.916 20 0 DFADRP C[C@H](CCC[NH3+])[NH2+][C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000309894097 279256308 /nfs/dbraw/zinc/25/63/08/279256308.db2.gz FVDWITMUFAASFT-QXCFHYIPSA-N 3 0 301.478 2.614 20 0 DFADRP CCN1CC[NH+](CCCC[NH2+]C[C@H]2C(C)=CCC[C@@H]2C)CC1 ZINC000133992646 279356366 /nfs/dbraw/zinc/35/63/66/279356366.db2.gz RQOJAEWRLQIWLE-OALUTQOASA-N 2 0 307.526 2.986 20 0 DFADRP C[C@H](Cn1ccnc1)[NH2+][C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000356858319 279388407 /nfs/dbraw/zinc/38/84/07/279388407.db2.gz XMHBDMBYEDPJSB-BTHPGYMESA-N 2 0 324.472 2.772 20 0 DFADRP CC[NH+](CC)Cc1cccc(NC(=O)[C@@H]2[NH2+]CCC2(C)C)c1 ZINC000662684452 431161881 /nfs/dbraw/zinc/16/18/81/431161881.db2.gz ZECAAEWHBDUVRI-INIZCTEOSA-N 2 0 303.450 2.855 20 0 DFADRP Cc1cncc(CC[NH+]2CCC(CCC[NH+]3CCCC3)CC2)n1 ZINC000649567559 431164480 /nfs/dbraw/zinc/16/44/80/431164480.db2.gz WDKVVWMBCVTNTI-UHFFFAOYSA-N 2 0 316.493 2.916 20 0 DFADRP C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)[C@H]1CCCCCC[C@@H]1[NH3+] ZINC000662692862 431165753 /nfs/dbraw/zinc/16/57/53/431165753.db2.gz GZJLAMVBXUJMFG-ULQDDVLXSA-N 2 0 309.498 2.521 20 0 DFADRP Cn1c2cc(Cl)ccc2nc1C[NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000655826495 431171026 /nfs/dbraw/zinc/17/10/26/431171026.db2.gz GHGIFGAIFSMHMZ-BJHJDKERSA-N 2 0 306.841 2.657 20 0 DFADRP Cc1nn(-c2ccc(C)cc2)cc1C[NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000655824743 431171940 /nfs/dbraw/zinc/17/19/40/431171940.db2.gz OGTGOMMCFBQKKH-UWUNEBHHSA-N 2 0 312.461 2.919 20 0 DFADRP C[N@@H+]1CCC[C@@H]1CC[NH+]1CCC[C@@H](O)[C@@H]1CCc1ccccc1 ZINC000646073977 431173744 /nfs/dbraw/zinc/17/37/44/431173744.db2.gz MRAXYWYEUISECR-HSALFYBXSA-N 2 0 316.489 2.929 20 0 DFADRP COCC1(C[NH2+]Cc2ccc(OCC[NH+]3CCCC3)cc2)CC1 ZINC000655837658 431180886 /nfs/dbraw/zinc/18/08/86/431180886.db2.gz GUNHBCMRTKDYRO-UHFFFAOYSA-N 2 0 318.461 2.677 20 0 DFADRP Cc1cc[nH+]c(NC[C@H]2CC[N@H+](CCO[C@H]3CC3(F)F)C2)c1 ZINC000659906751 431185575 /nfs/dbraw/zinc/18/55/75/431185575.db2.gz PGJIEYTVKVZAIJ-KGLIPLIRSA-N 2 0 311.376 2.548 20 0 DFADRP CC[C@H](CC(F)F)C[NH+]1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000659908397 431185975 /nfs/dbraw/zinc/18/59/75/431185975.db2.gz FGMXIVFEQAISKR-CVEARBPZSA-N 2 0 317.468 2.770 20 0 DFADRP COCC[C@@H](c1ccccc1)[N@@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000646105840 431188860 /nfs/dbraw/zinc/18/88/60/431188860.db2.gz JMHSTQXBCOHTAL-SFHVURJKSA-N 2 0 318.461 2.561 20 0 DFADRP CCC[NH+]1CCC([NH2+]CCCc2ccc3c(c2)OCCO3)CC1 ZINC000666353007 431202105 /nfs/dbraw/zinc/20/21/05/431202105.db2.gz UERMEMVCKMMCPW-UHFFFAOYSA-N 2 0 318.461 2.854 20 0 DFADRP Cc1ccccc1C[C@H]1CCC[NH+]1C[C@H](O)C[N@@H+](C)C(C)C ZINC000659931529 431197692 /nfs/dbraw/zinc/19/76/92/431197692.db2.gz OWKMXPJUDXRTTO-RTBURBONSA-N 2 0 304.478 2.703 20 0 DFADRP Cc1cccc(NC[C@@H]2CC[N@H+](CCO[C@@H]3CC3(F)F)C2)[nH+]1 ZINC000659944032 431199834 /nfs/dbraw/zinc/19/98/34/431199834.db2.gz PLYUACHRXMAZDA-UONOGXRCSA-N 2 0 311.376 2.548 20 0 DFADRP CC(C)[C@H]([NH3+])CC(=O)NC1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000646014360 431147337 /nfs/dbraw/zinc/14/73/37/431147337.db2.gz CKFUGWYLNHLWQZ-MAUKXSAKSA-N 2 0 317.477 2.702 20 0 DFADRP C[C@@H]1CCN(C[C@H]2CCC[N@@H+]2C)CC[NH+]1Cc1ccccc1 ZINC000649545749 431152771 /nfs/dbraw/zinc/15/27/71/431152771.db2.gz QPADWRSTWFARMZ-IEBWSBKVSA-N 2 0 301.478 2.677 20 0 DFADRP CC1CC[NH+]([C@@H](CNC(=O)CC2([NH3+])CC2)c2cccs2)CC1 ZINC000662662599 431152940 /nfs/dbraw/zinc/15/29/40/431152940.db2.gz HWWPRZYNMQHEOH-AWEZNQCLSA-N 2 0 321.490 2.519 20 0 DFADRP [NH3+][C@@H]1CCCCCC[C@H]1C(=O)N[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000662667448 431155786 /nfs/dbraw/zinc/15/57/86/431155786.db2.gz AVKBSQAZZXSEJL-CGTJXYLNSA-N 2 0 321.509 2.807 20 0 DFADRP [NH3+][C@@H](CC(=O)N[C@H]1CC[N@@H+](C2CCCCC2)C1)c1ccccc1 ZINC000662668548 431156386 /nfs/dbraw/zinc/15/63/86/431156386.db2.gz OOPFMQILKYVBRF-WMZOPIPTSA-N 2 0 315.461 2.600 20 0 DFADRP C[C@H]1C[C@@H]([NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)CN1Cc1ccccc1 ZINC000655805317 431156972 /nfs/dbraw/zinc/15/69/72/431156972.db2.gz FWDZOCQEYAHQSV-GDAAHCPNSA-N 2 0 301.478 2.579 20 0 DFADRP C[NH+](C)[C@H]1C[C@@H](C[NH2+]C2CCN(c3ccc(F)cc3F)CC2)C1 ZINC000655806513 431158080 /nfs/dbraw/zinc/15/80/80/431158080.db2.gz XQAMRBNDBAVHTL-AKAXFMLLSA-N 2 0 323.431 2.863 20 0 DFADRP CC1CC[NH+](Cc2ccc(NC(=O)[C@H]3C[C@H]([NH3+])C3)cc2)CC1 ZINC000662674942 431159513 /nfs/dbraw/zinc/15/95/13/431159513.db2.gz HLHRHTQYDWHIKH-WKILWMFISA-N 2 0 301.434 2.594 20 0 DFADRP C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)CC1([NH3+])CC1 ZINC000662675969 431160004 /nfs/dbraw/zinc/16/00/04/431160004.db2.gz RTBKPCZNNKHZLI-HNNXBMFYSA-N 2 0 315.461 2.559 20 0 DFADRP C[C@H]1C[C@H](C)C[NH+](CCN2CCC[N@@H+](C3CCCC3)CC2)C1 ZINC000659946022 431205181 /nfs/dbraw/zinc/20/51/81/431205181.db2.gz YTTDRDIKDRHKSN-ROUUACIJSA-N 2 0 307.526 2.915 20 0 DFADRP C[NH+](C)[C@@H](CNC(=O)CC[C@H]1CCC[NH2+]1)c1ccc(Cl)cc1 ZINC000646138620 431205705 /nfs/dbraw/zinc/20/57/05/431205705.db2.gz OEHYSTQWPLVOMK-CVEARBPZSA-N 2 0 323.868 2.591 20 0 DFADRP C[NH+](C)[C@@H](CNC(=O)CC[C@@H]1CCC[NH2+]1)c1ccc(Cl)cc1 ZINC000646138621 431206009 /nfs/dbraw/zinc/20/60/09/431206009.db2.gz OEHYSTQWPLVOMK-HOTGVXAUSA-N 2 0 323.868 2.591 20 0 DFADRP O[C@@H]1CCC[C@H]1[N@@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000659979232 431219645 /nfs/dbraw/zinc/21/96/45/431219645.db2.gz KGQRJRYWSBXCBJ-VAMGGRTRSA-N 2 0 314.473 2.888 20 0 DFADRP CO[C@@](C)([C@@H](C)[NH2+]Cc1ccc(OCC[NH+](C)C)cc1)C1CC1 ZINC000666418925 431222115 /nfs/dbraw/zinc/22/21/15/431222115.db2.gz ITBJROQMDFEWQC-BEFAXECRSA-N 2 0 320.477 2.920 20 0 DFADRP c1cnc2nc(C3CC[NH+](CC[C@@H]4CC[NH2+]C4)CC3)ccc2c1 ZINC000655946047 431227323 /nfs/dbraw/zinc/22/73/23/431227323.db2.gz JXTHEBOREGNNEO-HNNXBMFYSA-N 2 0 310.445 2.809 20 0 DFADRP CC[NH+](CC)[C@@H](CNC(=O)[C@H]1CCC[NH2+]CC1)c1ccccc1 ZINC000653043216 431240482 /nfs/dbraw/zinc/24/04/82/431240482.db2.gz HYUHCLLZRKHDIX-ROUUACIJSA-N 2 0 317.477 2.575 20 0 DFADRP [NH3+][C@@H](CC1CCCCC1)C(=O)NCC1CC[NH+](CC2CC2)CC1 ZINC000662971690 431245898 /nfs/dbraw/zinc/24/58/98/431245898.db2.gz JOGOCXSORAXUMI-SFHVURJKSA-N 2 0 321.509 2.522 20 0 DFADRP C[C@@H]1C[C@H](C)C[N@@H+](CCN2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)C1 ZINC000660114680 431276416 /nfs/dbraw/zinc/27/64/16/431276416.db2.gz JURFNLGHVZQFOV-AJYBTWMASA-N 2 0 319.537 2.913 20 0 DFADRP C[NH+](C)[C@H]1C[C@@H](C[NH2+]C[C@H](O)Cc2ccc3ccccc3c2)C1 ZINC000656152962 431285459 /nfs/dbraw/zinc/28/54/59/431285459.db2.gz DCXQXAVLLRVPLX-LSTHTHJFSA-N 2 0 312.457 2.673 20 0 DFADRP CC(C)[NH+]1CCN(CCC[NH+]2CCC3(CC3(F)F)CC2)CC1 ZINC000649773881 431287058 /nfs/dbraw/zinc/28/70/58/431287058.db2.gz JKDPBPJPXPRLSY-UHFFFAOYSA-N 2 0 315.452 2.524 20 0 DFADRP C[C@@H]([NH3+])CNC(=O)Nc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000666656990 431316914 /nfs/dbraw/zinc/31/69/14/431316914.db2.gz AYTGZKDBUNWGLK-CQSZACIVSA-N 2 0 318.465 2.920 20 0 DFADRP C[C@H]1C[C@@H](C[NH+]2CCC(C(=O)c3ccc(O)cc3)CC2)CC[NH2+]1 ZINC000666617627 431300160 /nfs/dbraw/zinc/30/01/60/431300160.db2.gz HGKUMCFCCHSKES-GJZGRUSLSA-N 2 0 316.445 2.675 20 0 DFADRP CCC[NH2+][C@H](C)C(=O)N[C@@H](C[NH+]1CCCCC1)c1ccccc1 ZINC000646408826 431300527 /nfs/dbraw/zinc/30/05/27/431300527.db2.gz LRFJNOFXLUASIA-AEFFLSMTSA-N 2 0 317.477 2.718 20 0 DFADRP [NH3+]C[C@]12CCC[C@H]1CN(C(=O)CC[C@H]([NH3+])CC1CCCCC1)C2 ZINC000653193335 431301723 /nfs/dbraw/zinc/30/17/23/431301723.db2.gz OAMODDVBFKGIOZ-LNLFQRSKSA-N 2 0 321.509 2.652 20 0 DFADRP CC[N@H+](CCCNC(=O)[C@H]1CCC[C@H]([NH3+])C1)C1CCCCC1 ZINC000653200887 431305159 /nfs/dbraw/zinc/30/51/59/431305159.db2.gz TTYCIMUJRTWMKL-HOTGVXAUSA-N 2 0 309.498 2.665 20 0 DFADRP COC[C@H](CC(C)(C)C)[NH2+]Cc1cc(C2CC[NH2+]CC2)no1 ZINC000656202162 431305857 /nfs/dbraw/zinc/30/58/57/431305857.db2.gz ZGJCYSIDRWUMFK-AWEZNQCLSA-N 2 0 309.454 2.682 20 0 DFADRP CC[N@H+](CCCNC(=O)C(CC)(CC)C[NH3+])C1CCCCC1 ZINC000653200543 431306110 /nfs/dbraw/zinc/30/61/10/431306110.db2.gz IBRKBRRSEQZISF-UHFFFAOYSA-N 2 0 311.514 2.912 20 0 DFADRP CC[N@H+](CCCNC(=O)CC[C@@H]1CC[NH2+]C1)C1CCCCC1 ZINC000653200367 431306191 /nfs/dbraw/zinc/30/61/91/431306191.db2.gz BUODPRNAPKSFFY-MRXNPFEDSA-N 2 0 309.498 2.537 20 0 DFADRP C[C@@H]1C[C@H](C[N@@H+]2CCN(Cc3ccccc3)CC[C@H]2C)CC[NH2+]1 ZINC000666636652 431310143 /nfs/dbraw/zinc/31/01/43/431310143.db2.gz CQTWWNVNJBTHPZ-QWFCFKBJSA-N 2 0 315.505 2.971 20 0 DFADRP C[C@H]1CN(C[C@@H](O)C[N@H+](C)C2CC2)CCc2ccc(Cl)cc21 ZINC000649746571 431271607 /nfs/dbraw/zinc/27/16/07/431271607.db2.gz CKNOHMRPTLGDCC-GUYCJALGSA-N 2 0 322.880 2.757 20 0 DFADRP CC(C)[NH+]1CCC(N2CC[NH+](C[C@@H]3C[C@H]4C[C@H]4C3)CC2)CC1 ZINC000660107539 431272615 /nfs/dbraw/zinc/27/26/15/431272615.db2.gz OAIHIEDCHTZVIJ-BCDXTJNWSA-N 2 0 305.510 2.523 20 0 DFADRP CC[NH+](CC)[C@H](C(=O)N1CC[C@@H]([NH+](C)C)[C@@H]1C)c1ccccc1 ZINC000646483411 431323799 /nfs/dbraw/zinc/32/37/99/431323799.db2.gz DBYRJRCUCITMOC-JQHSSLGASA-N 2 0 317.477 2.621 20 0 DFADRP CO[C@H](C[NH+]1CCC(CCC[NH+]2CCOCC2)CC1)C1CCC1 ZINC000660232485 431332260 /nfs/dbraw/zinc/33/22/60/431332260.db2.gz JLBDXRLYZJKQIY-LJQANCHMSA-N 2 0 324.509 2.626 20 0 DFADRP COc1cc2[nH+]ccc(N3CCC[C@H](CC[NH3+])C3)c2cc1OC ZINC000663238672 431337011 /nfs/dbraw/zinc/33/70/11/431337011.db2.gz COWHZUXRWCMDBF-CYBMUJFWSA-N 2 0 315.417 2.817 20 0 DFADRP CC[C@H]([NH2+]C1CCN(c2cc[nH+]cc2)CC1)[C@H]1CCCCO1 ZINC000656276685 431353328 /nfs/dbraw/zinc/35/33/28/431353328.db2.gz IBRSQCAUQVMWDX-ZWKOTPCHSA-N 2 0 303.450 2.988 20 0 DFADRP C[C@@H]([NH2+]Cc1ccc(Oc2cnccn2)cc1)[C@H]1CCC[NH2+]C1 ZINC000666774249 431353482 /nfs/dbraw/zinc/35/34/82/431353482.db2.gz WCENIAGJUWOQHQ-ZBFHGGJFSA-N 2 0 312.417 2.747 20 0 DFADRP CN1CC[NH+](CC2(C)CC[NH+](C[C@@H]3CC[C@H]4C[C@H]4C3)CC2)CC1 ZINC000660276657 431353842 /nfs/dbraw/zinc/35/38/42/431353842.db2.gz ROMXXAISLMYMNF-CEXWTWQISA-N 2 0 319.537 2.772 20 0 DFADRP Fc1cccc(F)c1-c1n[nH]cc1C[NH2+]CC[C@@H]1CCC[NH2+]C1 ZINC000666792212 431358866 /nfs/dbraw/zinc/35/88/66/431358866.db2.gz USDUVDRRPUEVLW-LBPRGKRZSA-N 2 0 320.387 2.834 20 0 DFADRP C[NH+](C)CCOc1ccc(CN[C@H](C[NH3+])C2CCCCC2)cc1 ZINC000666801076 431364297 /nfs/dbraw/zinc/36/42/97/431364297.db2.gz AOAJYBPQOARUIN-LJQANCHMSA-N 2 0 319.493 2.624 20 0 DFADRP C[C@@H]1C[NH+](CCCCCC[N@@H+]2CCCO[C@H](C)C2)CCCO1 ZINC000170933240 288158260 /nfs/dbraw/zinc/15/82/60/288158260.db2.gz SFDKDILCUGDCFW-QZTJIDSGSA-N 2 0 312.498 2.768 20 0 DFADRP CN1Cc2ccccc2[C@H]([NH2+]C2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000656515920 431415208 /nfs/dbraw/zinc/41/52/08/431415208.db2.gz LGQSIVNCRDWOJD-HXUWFJFHSA-N 2 0 322.456 2.827 20 0 DFADRP Cc1nn(Cc2ccccc2)c(C)c1C[NH2+][C@@H]1CC12CC[NH2+]CC2 ZINC000666950878 431418898 /nfs/dbraw/zinc/41/88/98/431418898.db2.gz ONRDEVWYNKUXJH-LJQANCHMSA-N 2 0 324.472 2.780 20 0 DFADRP FC(F)(F)COc1cccc(C[NH2+][C@@H]2CC23CC[NH2+]CC3)c1 ZINC000666951041 431419410 /nfs/dbraw/zinc/41/94/10/431419410.db2.gz YVNMJNFHEAZGTC-CQSZACIVSA-N 2 0 314.351 2.859 20 0 DFADRP CC[N@H+](C)C[C@H](O)C[NH+]1CCC[C@@H](Cc2ccc(C)cc2)C1 ZINC000653525837 431419668 /nfs/dbraw/zinc/41/96/68/431419668.db2.gz INIBHCIDVBNFDU-OALUTQOASA-N 2 0 304.478 2.562 20 0 DFADRP Brc1csc(C[NH2+][C@@H]2CC23CC[NH2+]CC3)c1 ZINC000666950946 431419729 /nfs/dbraw/zinc/41/97/29/431419729.db2.gz SDROMSVZPALGGI-LLVKDONJSA-N 2 0 301.253 2.742 20 0 DFADRP CC[C@H](Cc1ccc(OC)c(OC)c1)[NH2+][C@@H]1CC12CC[NH2+]CC2 ZINC000666953792 431422351 /nfs/dbraw/zinc/42/23/51/431422351.db2.gz HYECNTFBPNMLGF-CRAIPNDOSA-N 2 0 318.461 2.757 20 0 DFADRP Cc1nn(-c2cccc(F)c2)cc1C[NH2+][C@@H]1CC12CC[NH2+]CC2 ZINC000666955351 431422557 /nfs/dbraw/zinc/42/25/57/431422557.db2.gz BEKTUGCMKICCID-QGZVFWFLSA-N 2 0 314.408 2.552 20 0 DFADRP Cc1ccc(NC(=O)C[C@@H](C)[NH2+][C@H]2CC23CC[NH2+]CC3)c(C)c1 ZINC000666954272 431422692 /nfs/dbraw/zinc/42/26/92/431422692.db2.gz SUGGJLIDAUXMDV-WBVHZDCISA-N 2 0 315.461 2.752 20 0 DFADRP COc1ccc(C[NH2+][C@H]2CC23CC[NH2+]CC3)c(Cl)c1OC ZINC000666952105 431423158 /nfs/dbraw/zinc/42/31/58/431423158.db2.gz GDPGUQDHLXXVKZ-ZDUSSCGKSA-N 2 0 310.825 2.589 20 0 DFADRP Brc1ccsc1C[NH2+][C@@H]1CC12CC[NH2+]CC2 ZINC000666953667 431423441 /nfs/dbraw/zinc/42/34/41/431423441.db2.gz DQTKVOHUPXYYFV-LLVKDONJSA-N 2 0 301.253 2.742 20 0 DFADRP CC(=O)Nc1ccc(C[NH2+]C[C@@H]2CCC[N@H+](CC3CC3)C2)cc1 ZINC000663347226 431374893 /nfs/dbraw/zinc/37/48/93/431374893.db2.gz HMOVFVZBMVDRGA-SFHVURJKSA-N 2 0 315.461 2.857 20 0 DFADRP Cn1cc(C[NH2+]C[C@H]2CC[NH2+]C2)c(-c2cc3ccccc3o2)n1 ZINC000666844961 431380880 /nfs/dbraw/zinc/38/08/80/431380880.db2.gz JDUVJELXHAKZIN-ZDUSSCGKSA-N 2 0 310.401 2.532 20 0 DFADRP Fc1cccc(F)c1-c1n[nH]cc1C[NH2+]CC[C@H]1CCC[NH2+]1 ZINC000666847713 431381454 /nfs/dbraw/zinc/38/14/54/431381454.db2.gz JEUFSFKLMDNYFM-GFCCVEGCSA-N 2 0 306.360 2.587 20 0 DFADRP C[N@H+](CC1CC=CC1)C[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000660334440 431384731 /nfs/dbraw/zinc/38/47/31/431384731.db2.gz MCRDWLBMKNLAHG-LJQANCHMSA-N 2 0 300.446 2.521 20 0 DFADRP Clc1cccc(-c2n[nH]cc2C[NH2+][C@@H]2CCC[NH2+]CC2)c1 ZINC000666856496 431386088 /nfs/dbraw/zinc/38/60/88/431386088.db2.gz LVDMTUIMCUJOBK-OAHLLOKOSA-N 2 0 304.825 2.962 20 0 DFADRP CC[C@H](Cc1ccc(OC)c(OC)c1)[NH2+][C@H]1CCC[NH2+]CC1 ZINC000666858147 431387058 /nfs/dbraw/zinc/38/70/58/431387058.db2.gz ZZVUCEFEXGNPGF-CVEARBPZSA-N 2 0 306.450 2.757 20 0 DFADRP CCc1ccccc1NC(=O)C[C@@H](C)[NH2+][C@H]1CCC[NH2+]CC1 ZINC000666858114 431387172 /nfs/dbraw/zinc/38/71/72/431387172.db2.gz XTBILPBLCGNHBC-ZBFHGGJFSA-N 2 0 303.450 2.698 20 0 DFADRP C[C@H]1C[NH2+]CC[C@@H]1[NH2+]Cc1cn(C)nc1-c1cc2ccccc2o1 ZINC000666878550 431393037 /nfs/dbraw/zinc/39/30/37/431393037.db2.gz LEIWFQSHRUHPPW-BBRMVZONSA-N 2 0 324.428 2.921 20 0 DFADRP COc1cc2cc[nH+]c(N3CCC([NH+](C)C)CC3)c2cc1OC ZINC000663386421 431398687 /nfs/dbraw/zinc/39/86/87/431398687.db2.gz LJVOUNVZJBDYMT-UHFFFAOYSA-N 2 0 315.417 2.782 20 0 DFADRP C[NH+](C)Cc1ccc(-c2noc([C@H]3C[C@]34CCC[NH2+]C4)n2)cc1 ZINC000653490545 431399747 /nfs/dbraw/zinc/39/97/47/431399747.db2.gz MUOVMTUQCHHFMZ-QAPCUYQASA-N 2 0 312.417 2.655 20 0 DFADRP c1ccc(C[N@@H+]2CC[C@H](N3CCC4(CCOC4)CC3)C2)cc1 ZINC000656480669 431402955 /nfs/dbraw/zinc/40/29/55/431402955.db2.gz NUBBNVROCNCDJV-SFHVURJKSA-N 2 0 300.446 2.763 20 0 DFADRP c1cn(-c2csc(C[NH2+][C@H]3CC[NH2+]C4(CCC4)C3)c2)cn1 ZINC000666997062 431438290 /nfs/dbraw/zinc/43/82/90/431438290.db2.gz UUGFLFIXFRUWML-ZDUSSCGKSA-N 2 0 302.447 2.698 20 0 DFADRP Cn1c2ccccc2cc(C[N@@H+]2CCC[C@H](c3ncc[nH]3)C2)c1=O ZINC000653581569 431444360 /nfs/dbraw/zinc/44/43/60/431444360.db2.gz WPWHGJDVQVGHAT-HNNXBMFYSA-N 2 0 322.412 2.641 20 0 DFADRP CC(C)[C@H]([NH3+])CCNC1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000663502120 431444914 /nfs/dbraw/zinc/44/49/14/431444914.db2.gz FWXOSWBIVTYLAA-LJQANCHMSA-N 2 0 321.484 2.796 20 0 DFADRP C[C@H](Cc1ccc(Br)cc1)[NH2+]CC12CC(C1)C[NH2+]2 ZINC000663499191 431445197 /nfs/dbraw/zinc/44/51/97/431445197.db2.gz BWFYTTGVHQSNRE-NUYPLMSZSA-N 2 0 309.251 2.722 20 0 DFADRP C[C@@H]1C[NH2+]CC[C@H]1C[NH2+][C@@H]1CC(C)(C)Oc2ccc(N)cc21 ZINC000663499394 431446472 /nfs/dbraw/zinc/44/64/72/431446472.db2.gz VVMMROPVZBPMNU-DVOMOZLQSA-N 2 0 303.450 2.706 20 0 DFADRP CC(C)[C@H]([NH3+])CC[NH2+]Cc1ccc(OC[C@@H]2CCCO2)cc1 ZINC000663498102 431446606 /nfs/dbraw/zinc/44/66/06/431446606.db2.gz LGUOWJYPXMQGPN-ZWKOTPCHSA-N 2 0 306.450 2.707 20 0 DFADRP CC[C@@H](Cc1ccc(OC)c(OC)c1)[NH2+]CC[C@@H]([NH3+])C(C)C ZINC000663504284 431449245 /nfs/dbraw/zinc/44/92/45/431449245.db2.gz YGEZKFVHMWJLFL-JKSUJKDBSA-N 2 0 308.466 2.988 20 0 DFADRP CCC[C@@H](NC[C@H](O)C[N@H+](C)CC)c1ccc(F)cc1F ZINC000653607065 431455751 /nfs/dbraw/zinc/45/57/51/431455751.db2.gz RNGLNQRVZZLTTI-XJKSGUPXSA-N 2 0 300.393 2.708 20 0 DFADRP CCc1ccc([C@H](CNC(=O)[C@H](C)[NH+](C)C)[NH+](CC)CC)cc1 ZINC000647080584 431455927 /nfs/dbraw/zinc/45/59/27/431455927.db2.gz KCYJPGCIYQVRAR-YJBOKZPZSA-N 2 0 319.493 2.698 20 0 DFADRP C[C@H]([NH2+]CC1CC[NH+](C2CCOCC2)CC1)c1cccnc1 ZINC000656677489 431472458 /nfs/dbraw/zinc/47/24/58/431472458.db2.gz OWUQVDKJJCSRFH-HNNXBMFYSA-N 2 0 303.450 2.623 20 0 DFADRP [NH3+]Cc1ccc(-c2noc(-c3cc4c(s3)CC[NH2+]C4)n2)cc1 ZINC000656562566 431430074 /nfs/dbraw/zinc/43/00/74/431430074.db2.gz LAIDESPMZIBURG-UHFFFAOYSA-N 2 0 312.398 2.570 20 0 DFADRP C[N@@H+]1CC[C@H](NC[C@@H]2CCC[NH+](CC3CC3)C2)[C@@H]2CCC[C@@H]21 ZINC000663466068 431432875 /nfs/dbraw/zinc/43/28/75/431432875.db2.gz NTMRVZFCPILBCM-VJANTYMQSA-N 2 0 305.510 2.571 20 0 DFADRP COc1cccc(C[C@@H](C)[NH2+]C[C@@H]2CCC[N@H+](CC3CC3)C2)n1 ZINC000663468777 431434027 /nfs/dbraw/zinc/43/40/27/431434027.db2.gz MRWNXFAIERBOCK-WBVHZDCISA-N 2 0 317.477 2.733 20 0 DFADRP CC(C)(C)n1cc(C[NH+]2CCC([C@H]3CCC[NH2+]C3)CC2)cn1 ZINC000656785216 431522324 /nfs/dbraw/zinc/52/23/24/431522324.db2.gz KRRLQRRGUCDZAH-KRWDZBQOSA-N 2 0 304.482 2.850 20 0 DFADRP CC[N@H+](C)C[C@@H](O)CN1CCc2oc(-c3ccccc3)cc2C1 ZINC000653778147 431523147 /nfs/dbraw/zinc/52/31/47/431523147.db2.gz GULDEDJWMPELCG-QGZVFWFLSA-N 2 0 314.429 2.617 20 0 DFADRP CC[N@H+](C)C[C@@H](O)CN1CCc2ccc(Cl)cc2[C@H](C)C1 ZINC000653779008 431523195 /nfs/dbraw/zinc/52/31/95/431523195.db2.gz VUIYUQXGVMBUBQ-CZUORRHYSA-N 2 0 310.869 2.614 20 0 DFADRP Cc1cccc2ncc(C[NH+]3CCC([C@H]4CCC[NH2+]C4)CC3)n21 ZINC000656785876 431523227 /nfs/dbraw/zinc/52/32/27/431523227.db2.gz KILQYBRYXMJMPO-KRWDZBQOSA-N 2 0 312.461 2.854 20 0 DFADRP [NH3+]CCC[C@@H]([NH2+]Cc1ccc2c(c1)C[NH2+]CC2)c1ccccc1 ZINC000656786614 431523314 /nfs/dbraw/zinc/52/33/14/431523314.db2.gz OHUDZXYTNFUYAY-HXUWFJFHSA-N 3 0 309.457 2.902 20 0 DFADRP C[NH+](C)Cc1ccc(-c2noc([C@H]3CCC[NH2+]CC3)n2)cc1 ZINC000650226429 431490962 /nfs/dbraw/zinc/49/09/62/431490962.db2.gz JGVQZHRSMUBABM-HNNXBMFYSA-N 2 0 300.406 2.655 20 0 DFADRP C[NH+](C)Cc1ccc(-c2noc([C@@H]3CCC[NH2+]CC3)n2)cc1 ZINC000650226430 431491310 /nfs/dbraw/zinc/49/13/10/431491310.db2.gz JGVQZHRSMUBABM-OAHLLOKOSA-N 2 0 300.406 2.655 20 0 DFADRP CC[C@@H](c1cccc(OC)c1)N(C)C[C@@H](O)C[N@H+](C)C(C)C ZINC000660558419 431491777 /nfs/dbraw/zinc/49/17/77/431491777.db2.gz SOPHBUZPSIMOCX-WMZOPIPTSA-N 2 0 308.466 2.779 20 0 DFADRP C[C@@H]1C[C@@H](C)C[NH+](CCN2CC[N@@H+](C3CCC3)C[C@H](C)C2)C1 ZINC000660613574 431515073 /nfs/dbraw/zinc/51/50/73/431515073.db2.gz OVXGWLUWNHLCAM-KZNAEPCWSA-N 2 0 307.526 2.771 20 0 DFADRP C[N@@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccc(-n3ccnc3)cc1)C2 ZINC000660657672 431534129 /nfs/dbraw/zinc/53/41/29/431534129.db2.gz RYKWXPNOWHTDIM-IBGZPJMESA-N 2 0 310.445 2.790 20 0 DFADRP CC[NH+]1CCN(CCC[NH2+][C@@H](CC(C)C)c2ccncc2)CC1 ZINC000647282543 431535094 /nfs/dbraw/zinc/53/50/94/431535094.db2.gz CTWVPZRXIBWUMK-IBGZPJMESA-N 2 0 318.509 2.786 20 0 DFADRP C[C@H](c1ccccc1)[C@@H](O)C[N@@H+]1CCC[C@@]2(CC[NH+](C)C2)C1 ZINC000660661309 431535371 /nfs/dbraw/zinc/53/53/71/431535371.db2.gz CFKZDEFYOGGNJG-NEWSRXKRSA-N 2 0 302.462 2.569 20 0 DFADRP CC(C)C[C@H]([NH2+]CC(C)(C)N1CC[NH+](C)CC1)c1ccncc1 ZINC000647282437 431536293 /nfs/dbraw/zinc/53/62/93/431536293.db2.gz XICGMRJYJMWAKK-SFHVURJKSA-N 2 0 318.509 2.784 20 0 DFADRP C[N@@H+]1CC[C@@]2(C1)CCCN([C@@H]1CC[NH+](Cc3ccccc3)C1)C2 ZINC000660664171 431538666 /nfs/dbraw/zinc/53/86/66/431538666.db2.gz QIGDAGXZVINDMJ-WOJBJXKFSA-N 2 0 313.489 2.679 20 0 DFADRP C[N@@H+]1CCC[C@H]1CCN1CCC([NH2+]Cc2ccccc2)CC1 ZINC000660674558 431545719 /nfs/dbraw/zinc/54/57/19/431545719.db2.gz ANVNSYDBCUIBMM-IBGZPJMESA-N 2 0 301.478 2.725 20 0 DFADRP CC[NH+](CC)Cc1ccc(C(=O)NC(C)(C)CCC[NH+](C)C)o1 ZINC000653845264 431550818 /nfs/dbraw/zinc/55/08/18/431550818.db2.gz CWBMARRIKGCLMV-UHFFFAOYSA-N 2 0 323.481 2.972 20 0 DFADRP C[C@]1(C[N@@H+]2CCC[C@@H](c3cc(C(F)(F)F)n[nH]3)C2)CC[NH2+]C1 ZINC000261964144 280154775 /nfs/dbraw/zinc/15/47/75/280154775.db2.gz HOOLKLQDQGQYHS-RISCZKNCSA-N 2 0 316.371 2.608 20 0 DFADRP Cn1cc(-c2ccc(C[N@H+](C3CC3)C3CC[NH2+]CC3)s2)cn1 ZINC000647482480 431603162 /nfs/dbraw/zinc/60/31/62/431603162.db2.gz IRYRRSVTUNXZTJ-UHFFFAOYSA-N 2 0 316.474 2.865 20 0 DFADRP Cc1cc(C(F)(F)F)cc(NC[C@H]2CCC[N@@H+]2CCCO)n1 ZINC000663953192 431603893 /nfs/dbraw/zinc/60/38/93/431603893.db2.gz YDXNUQFZIBLJTM-CYBMUJFWSA-N 2 0 317.355 2.668 20 0 DFADRP CC[NH+]1CCC([NH2+]Cc2ccc(O[C@@H](C)COC)cc2)CC1 ZINC000657291962 431651777 /nfs/dbraw/zinc/65/17/77/431651777.db2.gz BBJDTDNYHRPHGL-HNNXBMFYSA-N 2 0 306.450 2.674 20 0 DFADRP CCOc1cccc(C[N@@H+]2CCC[C@H]([C@@H]3C[C@@H]([NH3+])CCO3)C2)c1 ZINC000650705755 431652350 /nfs/dbraw/zinc/65/23/50/431652350.db2.gz UKTKFFIXKVVKQS-LNLFQRSKSA-N 2 0 318.461 2.804 20 0 DFADRP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCC[N@H+](Cc3cnc(C4CC4)s3)C2)C1 ZINC000650707582 431652775 /nfs/dbraw/zinc/65/27/75/431652775.db2.gz IZGYNUHTKWAQHT-IIAWOOMASA-N 2 0 321.490 2.739 20 0 DFADRP COc1ccc(C)cc1C[N@@H+]1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000650706472 431654045 /nfs/dbraw/zinc/65/40/45/431654045.db2.gz LQHKEOLCBNBRAF-IEZWGBDMSA-N 2 0 318.461 2.722 20 0 DFADRP COc1ccc(C)cc1C[N@@H+]1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1 ZINC000650706475 431655041 /nfs/dbraw/zinc/65/50/41/431655041.db2.gz LQHKEOLCBNBRAF-WDYCEAGBSA-N 2 0 318.461 2.722 20 0 DFADRP COc1ccc(Br)cc1C[NH2+]CCC1(C[NH3+])CC1 ZINC000650712173 431658922 /nfs/dbraw/zinc/65/89/22/431658922.db2.gz UIPAGIDKIZEHGU-UHFFFAOYSA-N 2 0 313.239 2.676 20 0 DFADRP CCOc1c(Cl)cccc1CN1C[C@@H](C[NH3+])[C@H](OCC)C1 ZINC000650714429 431660046 /nfs/dbraw/zinc/66/00/46/431660046.db2.gz CWNRQYLJWMERRY-UKRRQHHQSA-N 2 0 312.841 2.534 20 0 DFADRP CCOc1ccc(C[NH2+]CC(C)(C)N2CC[NH+](C)CC2)c(C)c1 ZINC000657303708 431660335 /nfs/dbraw/zinc/66/03/35/431660335.db2.gz FYRPYPLBODSAPY-UHFFFAOYSA-N 2 0 319.493 2.509 20 0 DFADRP CC[C@H]1C[N@H+](Cc2ccc(C)cc2-c2ccnn2C)CC[C@H]1[NH3+] ZINC000647497757 431607189 /nfs/dbraw/zinc/60/71/89/431607189.db2.gz UDYAOCBVLVTWGF-MAUKXSAKSA-N 2 0 312.461 2.955 20 0 DFADRP CC[C@H]1C[N@H+](Cc2c[nH]nc2-c2ccc(F)cc2)CC[C@H]1[NH3+] ZINC000647498608 431609917 /nfs/dbraw/zinc/60/99/17/431609917.db2.gz KZKYOIPZHHYKAM-BLLLJJGKSA-N 2 0 302.397 2.775 20 0 DFADRP CCC(C)(C)[NH+]1CCN(C(=O)Nc2ccc3nccn3c2)CC1 ZINC000653997909 431614445 /nfs/dbraw/zinc/61/44/45/431614445.db2.gz ZFUKJUOPPNVRDJ-UHFFFAOYSA-N 2 0 315.421 2.672 20 0 DFADRP CC[NH+](CC)CCCC1CC[NH+](Cc2ccc(N)nc2)CC1 ZINC000647518374 431614690 /nfs/dbraw/zinc/61/46/90/431614690.db2.gz DDKPBOFKYUCHSJ-UHFFFAOYSA-N 2 0 304.482 2.828 20 0 DFADRP CCc1noc(C2CCC([NH2+]CC[C@@H]3CCC[N@H+](C)C3)CC2)n1 ZINC000657182649 431620566 /nfs/dbraw/zinc/62/05/66/431620566.db2.gz GICMYPBWOKZTEW-FHERZECASA-N 2 0 320.481 2.980 20 0 DFADRP C(c1nc2c(s1)CCC2)[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647542756 431621530 /nfs/dbraw/zinc/62/15/30/431621530.db2.gz BKZNNZLHYLIWPV-ZIAGYGMSSA-N 2 0 305.491 2.843 20 0 DFADRP Cn1cnc2cc(C[N@@H+]3CCC[C@H]([C@@H]4CCC[NH2+]C4)C3)ccc21 ZINC000647542720 431623312 /nfs/dbraw/zinc/62/33/12/431623312.db2.gz ANVBJMAMMXNFQR-SJORKVTESA-N 2 0 312.461 2.785 20 0 DFADRP Cc1nn(C(C)C)cc1C[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647544350 431623516 /nfs/dbraw/zinc/62/35/16/431623516.db2.gz ZEXKGCFCAKFSBH-IAGOWNOFSA-N 2 0 304.482 2.984 20 0 DFADRP CCc1nn(C)c(CC)c1C[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647543800 431624303 /nfs/dbraw/zinc/62/43/03/431624303.db2.gz SFEOHLBTTFVLSD-JKSUJKDBSA-N 2 0 318.509 2.757 20 0 DFADRP [NH3+]C[C@@H]1C[N@H+](Cc2ccccc2C2CC2)CC12CCOCC2 ZINC000647545434 431624633 /nfs/dbraw/zinc/62/46/33/431624633.db2.gz HACJLUDKDYDHQE-QGZVFWFLSA-N 2 0 300.446 2.751 20 0 DFADRP CC(=O)Nc1ccccc1C[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647543522 431625520 /nfs/dbraw/zinc/62/55/20/431625520.db2.gz ORXBYXASJZKIII-IAGOWNOFSA-N 2 0 315.461 2.857 20 0 DFADRP Cn1c2ccccc2nc1C[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647543336 431626184 /nfs/dbraw/zinc/62/61/84/431626184.db2.gz LEKLSIAYWNMVQC-JKSUJKDBSA-N 2 0 312.461 2.785 20 0 DFADRP Clc1cc(C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)cc2c1OCCO2 ZINC000647550392 431629143 /nfs/dbraw/zinc/62/91/43/431629143.db2.gz ONPDKALADVTHPG-HZSPNIEDSA-N 2 0 322.836 2.589 20 0 DFADRP [NH3+]Cc1ccc(CN[C@H]2CC[NH2+][C@@H](c3ccccc3)C2)c(F)c1 ZINC000650716543 431661654 /nfs/dbraw/zinc/66/16/54/431661654.db2.gz BLVPKMPFPYDIDM-PKOBYXMFSA-N 2 0 313.420 2.867 20 0 DFADRP Cc1[nH]c2ncnc(N3CCC[C@H]([C@H]4CCC[NH2+]C4)C3)c2c1C ZINC000647708398 431664499 /nfs/dbraw/zinc/66/44/99/431664499.db2.gz KWHHFLQKDYERCG-GJZGRUSLSA-N 2 0 313.449 2.791 20 0 DFADRP COc1cc(C[N@@H+]2CCCC[C@@H]2[C@H]2C[C@H]([NH3+])CCO2)ccc1C ZINC000650724171 431667670 /nfs/dbraw/zinc/66/76/70/431667670.db2.gz ZLFDTOKNPUSSLK-ZHALLVOQSA-N 2 0 318.461 2.864 20 0 DFADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCC[NH2+]Cc2cnn3c2CCC3)C1 ZINC000657312914 431667930 /nfs/dbraw/zinc/66/79/30/431667930.db2.gz MCYZHWSOXVHYKG-IYBDPMFKSA-N 2 0 304.482 2.677 20 0 DFADRP COCc1cccc(C[N@@H+]2CCCC[C@@H]2[C@@H]2C[C@H]([NH3+])CCO2)c1 ZINC000650724139 431668638 /nfs/dbraw/zinc/66/86/38/431668638.db2.gz YQOOQCVMCPSADF-QRVBRYPASA-N 2 0 318.461 2.694 20 0 DFADRP CC1CC[NH+](CCCC[NH2+]Cc2ccnn2CC2CC2)CC1 ZINC000657313474 431670307 /nfs/dbraw/zinc/67/03/07/431670307.db2.gz SEIXTPWLJUAEDX-UHFFFAOYSA-N 2 0 304.482 2.895 20 0 DFADRP CC[N@@H+]1CCC[C@H](C[NH2+]Cc2ccc(O[C@@H](C)COC)cc2)C1 ZINC000657337466 431683227 /nfs/dbraw/zinc/68/32/27/431683227.db2.gz VSVROEZJAXHPTB-FUHWJXTLSA-N 2 0 320.477 2.922 20 0 DFADRP C[C@H](CCc1ccc2c(c1)OCO2)[NH2+]Cc1cnc2n1CCC2 ZINC000657337104 431683753 /nfs/dbraw/zinc/68/37/53/431683753.db2.gz IUAYUAAXPSEZSB-CYBMUJFWSA-N 2 0 313.401 2.669 20 0 DFADRP C[C@@H]([NH2+]CCC1CC[NH2+]CC1)c1ncc(Br)s1 ZINC000650762743 431683941 /nfs/dbraw/zinc/68/39/41/431683941.db2.gz IXFWVGQKBGDTGF-SECBINFHSA-N 2 0 318.284 2.946 20 0 DFADRP CN(CCCC[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1)c1ccccc1 ZINC000647786327 431684201 /nfs/dbraw/zinc/68/42/01/431684201.db2.gz MXIAIZQHFHRVHW-KZNAEPCWSA-N 2 0 301.478 2.881 20 0 DFADRP CN(CCC[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1)c1ccccc1F ZINC000647786270 431684965 /nfs/dbraw/zinc/68/49/65/431684965.db2.gz LTGUQPBDKPXMLY-ARFHVFGLSA-N 2 0 305.441 2.630 20 0 DFADRP CN(C)[C@H](C[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1)c1ccc(Cl)cc1 ZINC000647787999 431684984 /nfs/dbraw/zinc/68/49/84/431684984.db2.gz BLOSJHDCRBDJCZ-CWLKWCNXSA-N 2 0 321.896 2.920 20 0 DFADRP CC[N@H+](C)Cc1cccc(C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000647786531 431685038 /nfs/dbraw/zinc/68/50/38/431685038.db2.gz RCAZLWBCUBWLAG-GBESFXJTSA-N 3 0 301.478 2.616 20 0 DFADRP C[C@H](COc1ccc(F)cc1F)[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000647786567 431685383 /nfs/dbraw/zinc/68/53/83/431685383.db2.gz RZZSISCLIJIHJB-QVHKTLOISA-N 2 0 310.388 2.710 20 0 DFADRP C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)C1 ZINC000647785830 431685477 /nfs/dbraw/zinc/68/54/77/431685477.db2.gz FOLVOBORKSCCOO-IGKNDFSCSA-N 3 0 307.526 2.721 20 0 DFADRP CCO[C@@H]1C[C@H]([NH2+]CCC2CC[NH2+]CC2)[C@@H]1Oc1ccccc1 ZINC000650762867 431686337 /nfs/dbraw/zinc/68/63/37/431686337.db2.gz MPJRKJUHNHQFCC-OTWHNJEPSA-N 2 0 318.461 2.591 20 0 DFADRP Clc1cccc(N2CC[C@H]([NH2+][C@@H]3CC[C@H]4C[NH2+]C[C@@H]4C3)C2)c1 ZINC000647788683 431686854 /nfs/dbraw/zinc/68/68/54/431686854.db2.gz ONSRTFGUJAFMLZ-DIECFANBSA-N 2 0 319.880 2.896 20 0 DFADRP CCN(CC[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)c1ccccc1C ZINC000647789939 431687440 /nfs/dbraw/zinc/68/74/40/431687440.db2.gz ODSMVDMKRGBVFF-FGTMMUONSA-N 2 0 301.478 2.799 20 0 DFADRP COc1ccccc1C1(C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000647788568 431687546 /nfs/dbraw/zinc/68/75/46/431687546.db2.gz MHJPNRLLMRTNCL-ARFHVFGLSA-N 2 0 300.446 2.705 20 0 DFADRP COCCOc1ccc([C@@H](C)[NH2+]CCC2CC[NH2+]CC2)cc1 ZINC000650764345 431688810 /nfs/dbraw/zinc/68/88/10/431688810.db2.gz WMMGPFOTZFKFSW-OAHLLOKOSA-N 2 0 306.450 2.752 20 0 DFADRP CCC[NH+]1CCC(C[NH2+]Cc2c(C3CCC3)cnn2C)CC1 ZINC000657346496 431688890 /nfs/dbraw/zinc/68/88/90/431688890.db2.gz DNANIUZCGXBQLJ-UHFFFAOYSA-N 2 0 304.482 2.899 20 0 DFADRP COc1ccc(OC)c(CCC[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)c1 ZINC000647794404 431688978 /nfs/dbraw/zinc/68/89/78/431688978.db2.gz ZQQQHTFKGQVUCQ-BRWVUGGUSA-N 2 0 318.461 2.614 20 0 DFADRP Cn1c(C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)nc2cccc(Cl)c21 ZINC000647795387 431689091 /nfs/dbraw/zinc/68/90/91/431689091.db2.gz PLZBJVWSNJQSOX-JHJVBQTASA-N 2 0 318.852 2.704 20 0 DFADRP Fc1ccc(OCC[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)cc1Cl ZINC000647797815 431691058 /nfs/dbraw/zinc/69/10/58/431691058.db2.gz CTKCTQBGXXFSND-JHJVBQTASA-N 2 0 312.816 2.836 20 0 DFADRP C[C@H]([NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)[C@H]1OCCc2sccc21 ZINC000647798877 431692072 /nfs/dbraw/zinc/69/20/72/431692072.db2.gz YLXPOIZHYDTAAP-RKWLLSJHSA-N 2 0 306.475 2.728 20 0 DFADRP Fc1cccc(N2CCCC2)c1C[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000647797027 431692128 /nfs/dbraw/zinc/69/21/28/431692128.db2.gz VJKMNPGJDULWKY-ARFHVFGLSA-N 2 0 317.452 2.904 20 0 DFADRP C[C@@H]([NH2+]Cc1ccc(C[NH3+])cc1)c1ccc(C(=O)N(C)C)cc1 ZINC000647802470 431694833 /nfs/dbraw/zinc/69/48/33/431694833.db2.gz NOPNSMBXACRWIR-CQSZACIVSA-N 2 0 311.429 2.698 20 0 DFADRP C[C@H]([NH2+]CC[C@@H]1CSc2ccccc2O1)[C@@H]1CCC[NH2+]C1 ZINC000647801620 431694968 /nfs/dbraw/zinc/69/49/68/431694968.db2.gz ZRZWYHUJDWDORE-RRFJBIMHSA-N 2 0 306.475 2.908 20 0 DFADRP CC[C@H]1C[C@H]([NH2+]CC2(N3CCSCC3)CCCCC2)CO1 ZINC000657369438 431706606 /nfs/dbraw/zinc/70/66/06/431706606.db2.gz GDIYLHVKRPUNAV-HOTGVXAUSA-N 2 0 312.523 2.895 20 0 DFADRP C[C@@H]([NH3+])[C@@H]1CN(CCCOc2cccc3ccccc32)CCO1 ZINC000647864351 431711544 /nfs/dbraw/zinc/71/15/44/431711544.db2.gz UVPQAQLOAUZPDK-BEFAXECRSA-N 2 0 314.429 2.657 20 0 DFADRP CC[C@@H]1C[N@H+](CCC(=O)Nc2cccc(F)c2C)CC[C@H]1[NH3+] ZINC000647936285 431735588 /nfs/dbraw/zinc/73/55/88/431735588.db2.gz AUWAIHCCACIWGY-UKRRQHHQSA-N 2 0 307.413 2.522 20 0 DFADRP CC[C@@H]1C[N@H+](CCC(=O)Nc2ccccc2SC)CC[C@@H]1[NH3+] ZINC000647938301 431740768 /nfs/dbraw/zinc/74/07/68/431740768.db2.gz JHRVZKJKPXMLSW-KGLIPLIRSA-N 2 0 321.490 2.796 20 0 DFADRP CC[C@H]1C[N@H+](CCCc2nc(-c3ccccc3)no2)CC[C@H]1[NH3+] ZINC000647939035 431741491 /nfs/dbraw/zinc/74/14/91/431741491.db2.gz ZNBPCISDJRXONX-GOEBONIOSA-N 2 0 314.433 2.728 20 0 DFADRP CC[NH+]1CCC(NC(=O)C[NH2+][C@H]2CCCC23CCCCC3)CC1 ZINC000661128603 431743789 /nfs/dbraw/zinc/74/37/89/431743789.db2.gz KRQQBSDYUVICTO-KRWDZBQOSA-N 2 0 321.509 2.680 20 0 DFADRP Cc1c(Br)cncc1C[NH2+]CC1=CC[N@H+](C)CC1 ZINC000657427824 431743967 /nfs/dbraw/zinc/74/39/67/431743967.db2.gz USQXGXKLCUBMBO-UHFFFAOYSA-N 2 0 310.239 2.504 20 0 DFADRP C[C@@]1(C[NH2+]Cc2ccnn2-c2cc[nH+]cc2)CCO[C@H]1C1CC1 ZINC000657438335 431754251 /nfs/dbraw/zinc/75/42/51/431754251.db2.gz OZWKRNZSJZQJFX-ROUUACIJSA-N 2 0 312.417 2.562 20 0 DFADRP COCc1csc(C[NH2+][C@H]2CCO[C@H](c3cncn3C)C2)c1 ZINC000657444181 431755671 /nfs/dbraw/zinc/75/56/71/431755671.db2.gz UCSXHUCFDRPMMO-BBRMVZONSA-N 2 0 321.446 2.638 20 0 DFADRP Cc1ccc(C[C@@H]2CCC[NH+]2C[C@H](O)C[N@@H+](C)C(C)C)cc1 ZINC000647964002 431757367 /nfs/dbraw/zinc/75/73/67/431757367.db2.gz MIARARXXYSDPPC-RBUKOAKNSA-N 2 0 304.478 2.703 20 0 DFADRP COC[C@@H](NCc1cnc2n1CCC2)c1ccc(Cl)cc1 ZINC000657451272 431758783 /nfs/dbraw/zinc/75/87/83/431758783.db2.gz NBCIPNBCMRHLKP-OAHLLOKOSA-N 2 0 305.809 2.960 20 0 DFADRP COC[C@H](NCc1cnc2n1CCC2)c1ccc(Cl)cc1 ZINC000657451271 431759537 /nfs/dbraw/zinc/75/95/37/431759537.db2.gz NBCIPNBCMRHLKP-HNNXBMFYSA-N 2 0 305.809 2.960 20 0 DFADRP CC(C)c1noc([C@H](C)[N@@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)n1 ZINC000647975796 431761684 /nfs/dbraw/zinc/76/16/84/431761684.db2.gz GAMPMTFGFZEAHY-ZNMIVQPWSA-N 2 0 306.454 2.966 20 0 DFADRP c1coc(-c2noc(C[N@@H+]3CCC[C@@H]([C@@H]4CCC[NH2+]C4)C3)n2)c1 ZINC000647975839 431762078 /nfs/dbraw/zinc/76/20/78/431762078.db2.gz GPCQAMIODCIOKO-ZIAGYGMSSA-N 2 0 316.405 2.541 20 0 DFADRP Fc1ccc(OCC[N@@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)cc1 ZINC000647977102 431762188 /nfs/dbraw/zinc/76/21/88/431762188.db2.gz XVDVSIRFKHEDRX-HZPDHXFCSA-N 2 0 306.425 2.916 20 0 DFADRP c1cc(-c2noc(C[N@@H+]3CCC[C@@H]([C@@H]4CCC[NH2+]C4)C3)n2)co1 ZINC000647977776 431762847 /nfs/dbraw/zinc/76/28/47/431762847.db2.gz HMLKRPKHDQWCAD-ZIAGYGMSSA-N 2 0 316.405 2.541 20 0 DFADRP c1cc(C[N@@H+](C[C@H]2CC[NH2+]C2)C2CCCC2)cc2c1OCC2 ZINC000647884414 431717695 /nfs/dbraw/zinc/71/76/95/431717695.db2.gz MNSITIOCDKWRAK-INIZCTEOSA-N 2 0 300.446 2.976 20 0 DFADRP CC(C)n1ccnc1CNC[C@@H]1C[N@H+](C)C[C@H]1c1ccccc1 ZINC000657500269 431788338 /nfs/dbraw/zinc/78/83/38/431788338.db2.gz MNNDRTOIKMXUQL-MSOLQXFVSA-N 2 0 312.461 2.899 20 0 DFADRP CC(C)Cn1nccc1C[N@@H+]1CC[C@@H](C2CC[NH+](C)CC2)C1 ZINC000648035747 431794490 /nfs/dbraw/zinc/79/44/90/431794490.db2.gz OIPOVLFGNZZMHH-QGZVFWFLSA-N 2 0 304.482 2.703 20 0 DFADRP Cc1ccccc1C[NH2+]CC1CC[NH+](C2CCOCC2)CC1 ZINC000657536162 431800296 /nfs/dbraw/zinc/80/02/96/431800296.db2.gz GLGHUEJDNZCGDK-UHFFFAOYSA-N 2 0 302.462 2.976 20 0 DFADRP C[C@@H]1CN(C)C[C@@H]1[NH2+]C[C@H]1CCN(c2ccccc2Cl)C1 ZINC000657537465 431800978 /nfs/dbraw/zinc/80/09/78/431800978.db2.gz LZUSOBZFUBPERH-FMKPAKJESA-N 2 0 307.869 2.706 20 0 DFADRP CCC1(C[NH2+]CC2CC[NH+](C3CCOCC3)CC2)CCOCC1 ZINC000657537622 431801109 /nfs/dbraw/zinc/80/11/09/431801109.db2.gz RIIYBLMSHVGUHH-UHFFFAOYSA-N 2 0 324.509 2.674 20 0 DFADRP Cc1cc2ccccc2c(N2CC[C@H](C[NH+]3CCOCC3)C2)[nH+]1 ZINC000302037813 280698261 /nfs/dbraw/zinc/69/82/61/280698261.db2.gz KMFGYUAAZPVONW-MRXNPFEDSA-N 2 0 311.429 2.702 20 0 DFADRP COc1ccc([C@H](C)C[N@@H+]2CCOC3(CC[NH+](C)CC3)C2)cc1 ZINC000648072012 431809214 /nfs/dbraw/zinc/80/92/14/431809214.db2.gz GTUCVHXPFGTSCM-MRXNPFEDSA-N 2 0 318.461 2.595 20 0 DFADRP C(CC1CC[NH2+]CC1)C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000647990872 431766108 /nfs/dbraw/zinc/76/61/08/431766108.db2.gz RCJAJOHVIFMHDF-HKUYNNGSSA-N 3 0 305.510 2.715 20 0 DFADRP Cc1ccccc1N1CC[NH+](CCCC2CC[NH2+]CC2)CC1 ZINC000647988485 431766814 /nfs/dbraw/zinc/76/68/14/431766814.db2.gz QMJNOUKIURPZCN-UHFFFAOYSA-N 2 0 301.478 2.897 20 0 DFADRP C[C@@H](CN(C)CCC[NH+](C)C)[NH2+]Cc1cccc2cc[nH]c21 ZINC000657574538 431817638 /nfs/dbraw/zinc/81/76/38/431817638.db2.gz YPAIJPQCJCTSOP-HNNXBMFYSA-N 2 0 302.466 2.530 20 0 DFADRP C[N@@H+]1CCC[C@@H](CC[NH2+]Cc2ccc(O[C@H]3CCOC3)cc2)C1 ZINC000657491855 431783392 /nfs/dbraw/zinc/78/33/92/431783392.db2.gz LJZRKXSMMDZQHX-HKUYNNGSSA-N 2 0 318.461 2.676 20 0 DFADRP [NH3+]Cc1cc(NC(=O)C2CCC([NH3+])CC2)cc(C(F)(F)F)c1 ZINC000648128766 431823742 /nfs/dbraw/zinc/82/37/42/431823742.db2.gz OMDIPQCFZLWWKY-UHFFFAOYSA-N 2 0 315.339 2.620 20 0 DFADRP Cc1ccncc1C[NH2+]CC1CC[NH+](Cc2ccncc2)CC1 ZINC000657613902 431824979 /nfs/dbraw/zinc/82/49/79/431824979.db2.gz WEMHROLAWWNXQD-UHFFFAOYSA-N 2 0 310.445 2.787 20 0 DFADRP c1cc(C[NH+]2CCC(C[NH2+][C@H]3CCCSC3)CC2)ccn1 ZINC000657613944 431825086 /nfs/dbraw/zinc/82/50/86/431825086.db2.gz YDBKGSWAIIJCEM-KRWDZBQOSA-N 2 0 305.491 2.779 20 0 DFADRP c1cc(C[NH+]2CCC(C[NH2+]C3CCSCC3)CC2)ccn1 ZINC000657612240 431825941 /nfs/dbraw/zinc/82/59/41/431825941.db2.gz KBMSUYBSCFURFV-UHFFFAOYSA-N 2 0 305.491 2.779 20 0 DFADRP CC(C)([NH3+])CCC(=O)Nc1cccc(CC[NH+]2CCCC2)c1 ZINC000648154178 431826855 /nfs/dbraw/zinc/82/68/55/431826855.db2.gz GDCVYAOUZUNPFM-UHFFFAOYSA-N 2 0 303.450 2.781 20 0 DFADRP C[NH+](C)C[C@H](NC(=O)CCC(C)(C)[NH3+])c1ccc(Cl)cc1 ZINC000648154110 431827264 /nfs/dbraw/zinc/82/72/64/431827264.db2.gz ZITAHDNRDKCKKS-AWEZNQCLSA-N 2 0 311.857 2.576 20 0 DFADRP Cc1cccc2c1CC[C@@H]2[NH2+]CCCN1CCC[N@@H+](C)CC1 ZINC000128266442 281270052 /nfs/dbraw/zinc/27/00/52/281270052.db2.gz UIKPIPCDUUZFKP-IBGZPJMESA-N 2 0 301.478 2.600 20 0 DFADRP CC[C@]1(C(=O)NC[C@H](c2cccs2)[NH+]2CCCC2)CCC[NH2+]1 ZINC000134554071 281302180 /nfs/dbraw/zinc/30/21/80/281302180.db2.gz NTAXGCWTAUBIPH-RHSMWYFYSA-N 2 0 321.490 2.533 20 0 DFADRP Cc1ccccc1C1(O)CC[NH+](CC[C@@H]2CCC[N@H+]2C)CC1 ZINC000364052214 281335857 /nfs/dbraw/zinc/33/58/57/281335857.db2.gz BCTQHTJLPIHFIV-KRWDZBQOSA-N 2 0 302.462 2.763 20 0 DFADRP CCC(C)(C)[NH2+][C@H](C)C(=O)NC[C@@]1([NH+](C)C)CCC[C@H](C)C1 ZINC000355646153 282024075 /nfs/dbraw/zinc/02/40/75/282024075.db2.gz FCDZEIYFRZINAH-HDMKZQKVSA-N 2 0 311.514 2.780 20 0 DFADRP CCc1ccc([C@H](CNC(=O)[C@]2(C)CCCC[NH2+]2)[NH+](C)C)cc1 ZINC000236981097 288563030 /nfs/dbraw/zinc/56/30/30/288563030.db2.gz WYNFWSHFZKKBKM-HKUYNNGSSA-N 2 0 317.477 2.500 20 0 DFADRP C[C@@H](C(=O)N1CCC(CCC[NH+](C)C)CC1)[NH+]1[C@H](C)CC[C@H]1C ZINC000153788171 289060627 /nfs/dbraw/zinc/06/06/27/289060627.db2.gz WRAAFQLGGVWTBY-ZACQAIPSSA-N 2 0 323.525 2.828 20 0 DFADRP CC(C)[N@H+](C)CC(=O)NC[C@H]1CCC[NH+](C)[C@H]1c1cccs1 ZINC000363335387 289079124 /nfs/dbraw/zinc/07/91/24/289079124.db2.gz PLIKQSNIZUPAQK-RHSMWYFYSA-N 2 0 323.506 2.587 20 0 DFADRP C[C@H]([NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1)[C@H]1OCCc2sccc21 ZINC000368144927 290019529 /nfs/dbraw/zinc/01/95/29/290019529.db2.gz XLBKOGRKWVBBJQ-ZOMKSWQUSA-N 2 0 306.475 2.967 20 0 DFADRP C[C@H]([NH2+][C@H]1CCOC[C@@H]1C)c1ccc(OCC[NH+](C)C)cc1 ZINC000278788920 290055184 /nfs/dbraw/zinc/05/51/84/290055184.db2.gz YPARTIQMDVFQCJ-MPGHIAIKSA-N 2 0 306.450 2.703 20 0 DFADRP O=C(NC[C@@H]1CCC[N@@H+]1C1CCCCC1)[C@@H]1CCC[NH+]1C1CC1 ZINC000437862586 297072319 /nfs/dbraw/zinc/07/23/19/297072319.db2.gz YBQIOQLTOYAEEQ-ROUUACIJSA-N 2 0 319.493 2.527 20 0 DFADRP COc1cc([C@@H](C)[NH2+]C2CCC([NH3+])CC2)cc(OC)c1OC ZINC000261936100 295018503 /nfs/dbraw/zinc/01/85/03/295018503.db2.gz KIJPGPNEILXHMT-LMWSTFAQSA-N 2 0 308.422 2.633 20 0 DFADRP C[C@@H]1C[C@@H]([NH2+]Cc2ccccc2C[NH+]2CCC(O)CC2)[C@@H]1C ZINC000495095917 299903202 /nfs/dbraw/zinc/90/32/02/299903202.db2.gz YQZSIGFKHHEZJS-SPYBWZPUSA-N 2 0 302.462 2.777 20 0 DFADRP C[C@@H]([NH2+]CCCC[NH+]1CCN(C)CC1)c1ccc(F)cc1F ZINC000154363069 295298469 /nfs/dbraw/zinc/29/84/69/295298469.db2.gz JUUGQNWXCMMNOO-CQSZACIVSA-N 2 0 311.420 2.643 20 0 DFADRP Cc1ccc([C@@H](C)[NH2+]CCCC[NH+]2CCN(C)CC2)c(C)c1 ZINC000154407833 295299724 /nfs/dbraw/zinc/29/97/24/295299724.db2.gz ZUQFPQSWZXGJKG-GOSISDBHSA-N 2 0 303.494 2.982 20 0 DFADRP CCOc1ccccc1[C@H](C)[NH2+]CCCC[NH+]1CCN(C)CC1 ZINC000154424918 295300168 /nfs/dbraw/zinc/30/01/68/295300168.db2.gz PNTAVKDGXYGYDS-KRWDZBQOSA-N 2 0 319.493 2.764 20 0 DFADRP C[C@H]1Cc2ccc(F)cc2[C@@H]1[NH2+]CCCC[NH+]1CCN(C)CC1 ZINC000154445766 295300402 /nfs/dbraw/zinc/30/04/02/295300402.db2.gz DHAHCQGPYROVAY-HNAYVOBHSA-N 2 0 319.468 2.676 20 0 DFADRP CCOc1ccc([C@H](C)[NH2+]CCCC[NH+]2CCN(C)CC2)cc1 ZINC000154435942 295300491 /nfs/dbraw/zinc/30/04/91/295300491.db2.gz QJACZRGKSFJTGW-KRWDZBQOSA-N 2 0 319.493 2.764 20 0 DFADRP CC[NH+](CC)[C@H](CNC(=O)C[NH2+]C1CC1)c1ccccc1Cl ZINC000154618982 295303801 /nfs/dbraw/zinc/30/38/01/295303801.db2.gz GLMVTYGRGCWLTH-MRXNPFEDSA-N 2 0 323.868 2.591 20 0 DFADRP [NH3+][C@@H]1CCC[C@H](C(=O)NCC2([NH+]3CCCCC3)CCCCC2)C1 ZINC000237895459 295311087 /nfs/dbraw/zinc/31/10/87/295311087.db2.gz FVBVXEHDUGUHLC-DLBZAZTESA-N 2 0 321.509 2.809 20 0 DFADRP CC[NH+]1CCN([C@@H](C)C[NH2+][C@@H](C)c2cc(C)ccc2C)CC1 ZINC000155608150 295321635 /nfs/dbraw/zinc/32/16/35/295321635.db2.gz ZYJXYVJDVUTROL-ROUUACIJSA-N 2 0 303.494 2.980 20 0 DFADRP COc1cccc(OCC[N@@H+]2CC[C@H](Oc3ccncc3)C2)c1 ZINC000155930936 295328339 /nfs/dbraw/zinc/32/83/39/295328339.db2.gz DYZYFPCFAPDTIL-SFHVURJKSA-N 2 0 314.385 2.622 20 0 DFADRP COc1ccc([C@@H](C)[NH2+]C[C@@H]2CCC[N@H+](C)C2)cc1NC(C)=O ZINC000158217422 295360383 /nfs/dbraw/zinc/36/03/83/295360383.db2.gz SLPIWHPDRJSDDO-HIFRSBDPSA-N 2 0 319.449 2.646 20 0 DFADRP C[NH+](C)CCCC[NH2+]C[C@@]1(C)CCN(C(=O)OC(C)(C)C)C1 ZINC000495458770 299929067 /nfs/dbraw/zinc/92/90/67/299929067.db2.gz NADPEYATUVSXCA-QGZVFWFLSA-N 2 0 313.486 2.565 20 0 DFADRP c1nn(Cc2ccccc2)cc1C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000390411836 295478576 /nfs/dbraw/zinc/47/85/76/295478576.db2.gz FHBMHVHUKISCKV-HSALFYBXSA-N 2 0 324.472 2.942 20 0 DFADRP C[C@@H]1CC[C@H]([NH2+]CC2(O)CC[NH+](Cc3ccccc3)CC2)C1 ZINC000397489853 295487975 /nfs/dbraw/zinc/48/79/75/295487975.db2.gz HHKCPTOOVSWZJH-AEFFLSMTSA-N 2 0 302.462 2.792 20 0 DFADRP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]CC1CC[NH+](Cc2ccccc2)CC1 ZINC000397636184 295488147 /nfs/dbraw/zinc/48/81/47/295488147.db2.gz PZKPHRXUWIHJQB-OALUTQOASA-N 3 0 301.478 2.616 20 0 DFADRP C[C@H]([NH2+]CCCC[NH+](C)C)[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000400322655 295496731 /nfs/dbraw/zinc/49/67/31/295496731.db2.gz AIEAVMKMAVJYSS-LSDHHAIUSA-N 2 0 313.486 2.706 20 0 DFADRP Cc1ccc([C@H](C)[NH2+]CC(=O)NC2CC[NH+](C(C)C)CC2)cc1 ZINC000411462533 295541232 /nfs/dbraw/zinc/54/12/32/295541232.db2.gz QWQXHIFQUUALBD-INIZCTEOSA-N 2 0 317.477 2.635 20 0 DFADRP C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC000439831012 297139756 /nfs/dbraw/zinc/13/97/56/297139756.db2.gz BKTRQRJBHQVFQI-JFIYKMOQSA-N 2 0 321.509 2.773 20 0 DFADRP C[C@H](C(=O)N(C)CC[C@H]1CCCC[NH+]1C)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000440255208 297148823 /nfs/dbraw/zinc/14/88/23/297148823.db2.gz MVLWNKCSHKPPLH-YYIAUSFCSA-N 2 0 309.498 2.581 20 0 DFADRP CCOc1ccccc1OCC[NH+]1CCC(C[NH+](C)C)CC1 ZINC000441209012 297175768 /nfs/dbraw/zinc/17/57/68/297175768.db2.gz YMKJEPIXAXVRBX-UHFFFAOYSA-N 2 0 306.450 2.738 20 0 DFADRP C[C@@H]1CCC[C@@H]([NH+]2CCC([NH2+]CC3([S@](C)=O)CC3)CC2)C1 ZINC000442797831 297206591 /nfs/dbraw/zinc/20/65/91/297206591.db2.gz HWFXZBCMKJMQMN-NVAPDCRFSA-N 2 0 312.523 2.530 20 0 DFADRP C[C@@H]([NH2+]CCN1CC[N@H+](C)C(C)(C)C1)c1cc2c(s1)CCC2 ZINC000442877006 297209238 /nfs/dbraw/zinc/20/92/38/297209238.db2.gz QLJLPXDDWVEUMU-CQSZACIVSA-N 2 0 321.534 2.913 20 0 DFADRP Cn1c2ccc(Cl)cc2nc1C[N@@H+]1CCC[C@H](CC[NH3+])C1 ZINC000442922590 297211300 /nfs/dbraw/zinc/21/13/00/297211300.db2.gz PCHNIHYEHZMNQK-GFCCVEGCSA-N 2 0 306.841 2.788 20 0 DFADRP Cc1ccc(NC(=O)[C@H](C)[N@@H+]2CCC[C@H](CC[NH3+])C2)c(F)c1 ZINC000443056114 297213478 /nfs/dbraw/zinc/21/34/78/297213478.db2.gz CBAOEPJWHBOYRS-UONOGXRCSA-N 2 0 307.413 2.522 20 0 DFADRP CCc1ccc(NC(=O)[C@@H](C)[N@@H+]2CCC[C@@H](CC[NH3+])C2)cc1 ZINC000443056538 297214061 /nfs/dbraw/zinc/21/40/61/297214061.db2.gz CWAFHYYLUJZBLR-ZBFHGGJFSA-N 2 0 303.450 2.637 20 0 DFADRP Cc1cc(C)c(NC(=O)[C@@H](C)[N@@H+]2CCC[C@H](CC[NH3+])C2)c(C)c1 ZINC000443062689 297214347 /nfs/dbraw/zinc/21/43/47/297214347.db2.gz UZXKYCUBZUIFBG-IAGOWNOFSA-N 2 0 317.477 3.000 20 0 DFADRP C[C@@H](C(=O)Nc1ccc(Cl)cc1)[N@@H+]1CCC[C@H](CC[NH3+])C1 ZINC000443065975 297214720 /nfs/dbraw/zinc/21/47/20/297214720.db2.gz DCBSJTXFBOGJPP-QWHCGFSZSA-N 2 0 309.841 2.728 20 0 DFADRP C[C@@H](c1nc(Cc2ccccc2)no1)[N@@H+]1CCC[C@H](CC[NH3+])C1 ZINC000443064932 297214984 /nfs/dbraw/zinc/21/49/84/297214984.db2.gz ZCBJPWBGJPETGH-GOEBONIOSA-N 2 0 314.433 2.782 20 0 DFADRP CCc1cccc(CC)c1NC(=O)C[N@@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000443076495 297215154 /nfs/dbraw/zinc/21/51/54/297215154.db2.gz SKRVUMVEIBGFTN-HNNXBMFYSA-N 2 0 317.477 2.811 20 0 DFADRP [NH3+]CC[C@@H]1CCC[N@@H+]([C@H]2CCN(c3cccc(Cl)c3)C2=O)C1 ZINC000443075134 297215304 /nfs/dbraw/zinc/21/53/04/297215304.db2.gz QYPCDGYSZJWZHV-BBRMVZONSA-N 2 0 321.852 2.506 20 0 DFADRP C[N@H+](Cc1ccccc1NC(=O)[C@H]1CC[NH2+]1)C1CCCCC1 ZINC000444189420 297232441 /nfs/dbraw/zinc/23/24/41/297232441.db2.gz CXTXBYWJYMGNCZ-QGZVFWFLSA-N 2 0 301.434 2.752 20 0 DFADRP C[C@H]([NH2+]CCOCC[NH+](C)C)c1cccc(OC(F)(F)F)c1 ZINC000447591543 297309931 /nfs/dbraw/zinc/30/99/31/297309931.db2.gz DLIBMIWSIUAKOK-LBPRGKRZSA-N 2 0 320.355 2.814 20 0 DFADRP C[NH+](C)CCOCC[NH2+][C@H]1CCCOc2c(Cl)cccc21 ZINC000447599283 297310227 /nfs/dbraw/zinc/31/02/27/297310227.db2.gz JVIYJBCJQWVIIN-HNNXBMFYSA-N 2 0 312.841 2.722 20 0 DFADRP C[C@@H](O)C[N@H+](C)C1CC[NH+](CC[C@@H](C)c2ccccc2)CC1 ZINC000447736635 297314984 /nfs/dbraw/zinc/31/49/84/297314984.db2.gz OANNERPSCWQLAY-IAGOWNOFSA-N 2 0 304.478 2.957 20 0 DFADRP C[C@H]1CN(CC[NH+]2CCCCC2)CC[N@H+](Cc2ccccc2)C1 ZINC000448552084 297342176 /nfs/dbraw/zinc/34/21/76/297342176.db2.gz LIAYEMRYGMQETQ-IBGZPJMESA-N 2 0 315.505 2.926 20 0 DFADRP CC[NH+](CC)CCO[C@H]1CC[N@H+](Cc2cc3cccnc3o2)C1 ZINC000449039563 297395681 /nfs/dbraw/zinc/39/56/81/297395681.db2.gz ZWEBUHBHTZCUHM-INIZCTEOSA-N 2 0 317.433 2.761 20 0 DFADRP C[C@@H]1C[C@H]([NH2+]Cc2ccc(OCC[NH+]3CCCC3)cc2)[C@@H](C)O1 ZINC000449139788 297411576 /nfs/dbraw/zinc/41/15/76/297411576.db2.gz HLDQUWQGKUYIPA-MDZRGWNJSA-N 2 0 318.461 2.817 20 0 DFADRP C[NH+](C)C1(CNC(=O)C[C@H]2CCCC[C@@H]2[NH3+])CCCCCC1 ZINC000449310109 297442775 /nfs/dbraw/zinc/44/27/75/297442775.db2.gz DSVRLXXSGDMRGE-CVEARBPZSA-N 2 0 309.498 2.665 20 0 DFADRP C[NH2+][C@H](CC(C)(C)C)C(=O)NC[C@@H](C1CCCCC1)[NH+](C)C ZINC000449322337 297445477 /nfs/dbraw/zinc/44/54/77/297445477.db2.gz XBLUSXRYNZZGHG-CVEARBPZSA-N 2 0 311.514 2.637 20 0 DFADRP [NH3+][C@H]1CCCC[C@H]1CC(=O)NCCCCC[NH+]1CCCCC1 ZINC000449352050 297452358 /nfs/dbraw/zinc/45/23/58/297452358.db2.gz RXYPHJPIUHXQMS-IRXDYDNUSA-N 2 0 309.498 2.666 20 0 DFADRP [NH3+][C@@H]1CCCC[C@@H]1CC(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000449367433 297455110 /nfs/dbraw/zinc/45/51/10/297455110.db2.gz WEYOLAJTQZETRE-CRAIPNDOSA-N 2 0 321.509 2.807 20 0 DFADRP CC[NH+]1CCN(CC(C)(C)[NH2+]Cc2ccc(C)cc2C)CC1 ZINC000449748044 297526055 /nfs/dbraw/zinc/52/60/55/297526055.db2.gz AKZZCGMNWQZICF-UHFFFAOYSA-N 2 0 303.494 2.809 20 0 DFADRP CC[NH+]1CCN(CC(C)(C)[NH2+]C[C@H]2CC(C)=C[C@H](C)C2)CC1 ZINC000449747700 297526260 /nfs/dbraw/zinc/52/62/60/297526260.db2.gz XZCGQENIRLWNAQ-FUHWJXTLSA-N 2 0 307.526 2.985 20 0 DFADRP CC[NH+]1CCN(CC(C)(C)[NH2+]Cc2cccc(C)c2C)CC1 ZINC000449750410 297526849 /nfs/dbraw/zinc/52/68/49/297526849.db2.gz IYYZOFOYWPJMHY-UHFFFAOYSA-N 2 0 303.494 2.809 20 0 DFADRP CN1CC[NH+](CC2(C)CC[NH+](CC3=CCCCC3)CC2)CC1 ZINC000450746213 297680445 /nfs/dbraw/zinc/68/04/45/297680445.db2.gz QWNAKYASFDBPMB-UHFFFAOYSA-N 2 0 305.510 2.836 20 0 DFADRP COc1c[nH+]ccc1N1CC[NH+](C[C@@H]2CCC(F)(F)C2)CC1 ZINC000450900141 297710226 /nfs/dbraw/zinc/71/02/26/297710226.db2.gz UGOROWOUXCYPQX-CYBMUJFWSA-N 2 0 311.376 2.648 20 0 DFADRP COC1([C@@H](C)[NH2+]CCCC[N@@H+]2CCCC[C@H]2C)CCOCC1 ZINC000453053981 298057634 /nfs/dbraw/zinc/05/76/34/298057634.db2.gz BFOVALDXQRZIIH-IAGOWNOFSA-N 2 0 312.498 2.815 20 0 DFADRP CC[C@H](C[NH2+][C@H](C)Cc1cnccn1)N1CCc2ccccc2C1 ZINC000453084705 298060244 /nfs/dbraw/zinc/06/02/44/298060244.db2.gz WMFQCOSGDNNTGO-OXQOHEQNSA-N 2 0 324.472 2.834 20 0 DFADRP OCCCC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000453212324 298071282 /nfs/dbraw/zinc/07/12/82/298071282.db2.gz HVQXQWXZMNPDKU-GUDVDZBRSA-N 2 0 302.462 2.792 20 0 DFADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CCc2ncccc2C)[C@H](C)C1 ZINC000453306799 298082294 /nfs/dbraw/zinc/08/22/94/298082294.db2.gz JFTKTEZJBNBLOH-IEBWSBKVSA-N 2 0 319.493 2.659 20 0 DFADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CC(C)(C)C(C)(C)O)[C@H](C)C1 ZINC000453381875 298088866 /nfs/dbraw/zinc/08/88/66/298088866.db2.gz XXTYZKMGGSTHDX-HZPDHXFCSA-N 2 0 314.514 2.510 20 0 DFADRP O[C@H](C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)C1CCC1 ZINC000453389505 298089335 /nfs/dbraw/zinc/08/93/35/298089335.db2.gz RKDZAJIEBFIQOG-IYWMVGAKSA-N 2 0 314.473 2.933 20 0 DFADRP C[C@@H]([NH2+]C[C@@H]1CCCC[C@H]1O)c1ccc(OCC[NH+](C)C)cc1 ZINC000453392148 298089405 /nfs/dbraw/zinc/08/94/05/298089405.db2.gz ZHOBZMBTBPTZHD-HHXXYDBFSA-N 2 0 320.477 2.829 20 0 DFADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CCc2ccc(C)cn2)[C@@H](C)C1 ZINC000453439153 298095819 /nfs/dbraw/zinc/09/58/19/298095819.db2.gz VWAKJFRWCRNQEN-PKOBYXMFSA-N 2 0 319.493 2.659 20 0 DFADRP CS[C@@H]1CN(C(=O)Nc2c(C)cc(C)nc2C)C[C@@H]1[NH+](C)C ZINC000455475703 298366370 /nfs/dbraw/zinc/36/63/70/298366370.db2.gz DRFBTYAGWKTFSS-UONOGXRCSA-N 2 0 322.478 2.516 20 0 DFADRP C[C@H](CSC(C)(C)C)[NH2+][C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000370633505 298873670 /nfs/dbraw/zinc/87/36/70/298873670.db2.gz HHUBBTRWZMMKBF-CABCVRRESA-N 2 0 313.555 2.665 20 0 DFADRP Cc1cc(NC(=O)[C@H](C2CC2)[NH+]2CCCC2)ccc1C[NH+](C)C ZINC000458274966 298897397 /nfs/dbraw/zinc/89/73/97/298897397.db2.gz XZKJVDYXUXJSMT-SFHVURJKSA-N 2 0 315.461 2.870 20 0 DFADRP C[C@@H](C[C@H](C)[NH2+]CC(C)(C)C[NH+](C)C)NC(=O)OC(C)(C)C ZINC000496282409 300040550 /nfs/dbraw/zinc/04/05/50/300040550.db2.gz IXGMMYNXSQAJAE-KBPBESRZSA-N 2 0 315.502 2.856 20 0 DFADRP CC(C)[NH2+]CCC[NH2+][C@@H](C)c1cccc(N2CCOC2=O)c1 ZINC000496779491 300112716 /nfs/dbraw/zinc/11/27/16/300112716.db2.gz AQYFJSJWZBZFCR-AWEZNQCLSA-N 2 0 305.422 2.682 20 0 DFADRP C[C@@H]([NH2+][C@@H](C)CCCC[NH3+])c1cccc(N2CCOC2=O)c1 ZINC000496991899 300143516 /nfs/dbraw/zinc/14/35/16/300143516.db2.gz UWBGKGLFFBCDJP-UONOGXRCSA-N 2 0 305.422 2.811 20 0 DFADRP CCOC(=O)N1CCC[C@@H]([C@@H](C)[NH2+]CCc2ccncc2C)C1 ZINC000496993684 300144127 /nfs/dbraw/zinc/14/41/27/300144127.db2.gz KKTRKXMMDCVDMW-NVXWUHKLSA-N 2 0 319.449 2.779 20 0 DFADRP COC(=O)Nc1ccc(CC[NH2+][C@@H]2CCCC[C@H]2C[NH3+])cc1 ZINC000497106863 300162512 /nfs/dbraw/zinc/16/25/12/300162512.db2.gz MBWZURQKKKTZLL-GOEBONIOSA-N 2 0 305.422 2.515 20 0 DFADRP [NH3+]C1(C[NH2+][C@H]2CCCN(C(=O)Oc3ccccc3)CC2)CCC1 ZINC000497221161 300179975 /nfs/dbraw/zinc/17/99/75/300179975.db2.gz UKLVXQJPFPVSNJ-HNNXBMFYSA-N 2 0 317.433 2.511 20 0 DFADRP Cn1nccc1-c1ccccc1C[NH+]1CCC(C[NH+](C)C)CC1 ZINC000507208143 300233938 /nfs/dbraw/zinc/23/39/38/300233938.db2.gz GKSMPQLJJMZTMH-UHFFFAOYSA-N 2 0 312.461 2.861 20 0 DFADRP CC(C)[NH+]1CCN(CCC[NH2+]C2(C(F)F)CCCCC2)CC1 ZINC000510081495 300244271 /nfs/dbraw/zinc/24/42/71/300244271.db2.gz ANTJNVVTJFCECD-UHFFFAOYSA-N 2 0 317.468 2.960 20 0 DFADRP CC(C)[NH+]1CCC(NC(=O)C[NH2+]C(C)(C)CC(C)(C)C)CC1 ZINC000512765518 300256438 /nfs/dbraw/zinc/25/64/38/300256438.db2.gz XCEDZRPBWKFMQO-UHFFFAOYSA-N 2 0 311.514 2.780 20 0 DFADRP [NH3+][C@@H](CCC(=O)N1CCNCc2ccccc21)c1ccccc1 ZINC000514663126 300265030 /nfs/dbraw/zinc/26/50/30/300265030.db2.gz VABVUIPUYJLBTD-KRWDZBQOSA-N 2 0 309.413 2.603 20 0 DFADRP Cn1nccc1[C@@H]1CCCC[N@@H+]1Cc1ccc2c(c1)C[NH2+]CC2 ZINC000514730199 300268651 /nfs/dbraw/zinc/26/86/51/300268651.db2.gz QJJIWXSMXQTGFC-IBGZPJMESA-N 2 0 310.445 2.793 20 0 DFADRP CCOc1cc(C[NH2+][C@@H](C)C[C@H](C)[NH3+])cc(Cl)c1OC ZINC000514937876 300280517 /nfs/dbraw/zinc/28/05/17/300280517.db2.gz ILTLEGJLPMADRO-QWRGUYRKSA-N 2 0 300.830 2.963 20 0 DFADRP C[C@@H]([NH2+]CCc1ccccc1Br)[C@H]1CCC[NH2+]C1 ZINC000515053313 300287036 /nfs/dbraw/zinc/28/70/36/300287036.db2.gz MXUHBPQAOQQNBN-OCCSQVGLSA-N 2 0 311.267 2.969 20 0 DFADRP C[C@@H](CC[NH2+]C[C@H](O)Cc1ccc(F)cc1)[NH+]1CCCCC1 ZINC000515054990 300287447 /nfs/dbraw/zinc/28/74/47/300287447.db2.gz DXCRPDNQMRMWTQ-MAUKXSAKSA-N 2 0 308.441 2.583 20 0 DFADRP C[C@H]1CC[N@H+](CCNC(=O)CC[C@H]([NH3+])CC2CCCCC2)C1 ZINC000515062653 300288340 /nfs/dbraw/zinc/28/83/40/300288340.db2.gz KGEPKMCCISGBSM-RDJZCZTQSA-N 2 0 309.498 2.522 20 0 DFADRP Cc1nn(-c2ccccc2)cc1CCC[NH2+][C@@H]1CCC[C@H]([NH3+])C1 ZINC000515074777 300289499 /nfs/dbraw/zinc/28/94/99/300289499.db2.gz YHVJTXMGJJNURU-ZWKOTPCHSA-N 2 0 312.461 2.973 20 0 DFADRP O[C@@H](C[NH2+]Cc1ccccc1C[NH+]1CCCC1)CC(F)(F)F ZINC000515165949 300292862 /nfs/dbraw/zinc/29/28/62/300292862.db2.gz PZMVMZQUVBKZQX-OAHLLOKOSA-N 2 0 316.367 2.685 20 0 DFADRP Cc1cc(F)ccc1N1CCC[C@H]([NH2+][C@@H]2CCC[C@H]([NH3+])C2)C1 ZINC000516491999 300345460 /nfs/dbraw/zinc/34/54/60/300345460.db2.gz QCIHVKWOIVLBDX-BBWFWOEESA-N 2 0 305.441 2.962 20 0 DFADRP CCOC[C@H](O)C[NH2+]Cc1ccccc1C[N@@H+]1CCCC[C@H]1C ZINC000517025138 300378035 /nfs/dbraw/zinc/37/80/35/300378035.db2.gz UFBYOCGABZRCPW-VQIMIIECSA-N 2 0 320.477 2.548 20 0 DFADRP C[C@H]([NH2+]CCC[C@H]1CCC[NH2+]1)c1ccc2c(c1)CCC(=O)N2 ZINC000517024160 300378055 /nfs/dbraw/zinc/37/80/55/300378055.db2.gz KUTSRASCAOSPEB-BBRMVZONSA-N 2 0 301.434 2.754 20 0 DFADRP CC[C@H](O)C[NH2+]C[C@@H]1CCN(C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000517025358 300378124 /nfs/dbraw/zinc/37/81/24/300378124.db2.gz OTFNTEKALLBGCP-HEHGZKQESA-N 2 0 314.832 2.832 20 0 DFADRP c1cnn(-c2cccc(C[NH2+]CC3CC[NH+](C4CC4)CC3)c2)c1 ZINC000517215131 300387161 /nfs/dbraw/zinc/38/71/61/300387161.db2.gz FZFBQKSHVAIZSC-UHFFFAOYSA-N 2 0 310.445 2.836 20 0 DFADRP C[C@H]1CC[N@H+](CC(=O)Nc2ccc(CC[NH+]3CCCC3)cc2)C1 ZINC000517245289 300390526 /nfs/dbraw/zinc/39/05/26/300390526.db2.gz WDBQJGXWEPIRPN-INIZCTEOSA-N 2 0 315.461 2.605 20 0 DFADRP CC[NH+]1CCN(CC(C)(C)[NH2+][C@H](C)Cc2ccsc2)CC1 ZINC000517501500 300397567 /nfs/dbraw/zinc/39/75/67/300397567.db2.gz JIMKUNLCMXNETF-OAHLLOKOSA-N 2 0 309.523 2.685 20 0 DFADRP C[C@H]([NH2+]Cc1ccc(OC2CCCC2)nc1)[C@H]1CCC[NH2+]C1 ZINC000521993102 300544179 /nfs/dbraw/zinc/54/41/79/300544179.db2.gz CGTXHRQXMYJEOW-HOCLYGCPSA-N 2 0 303.450 2.881 20 0 DFADRP C[C@@H](Cc1ccccc1)[NH+]1CCC([NH2+]CC23CC(C2)CO3)CC1 ZINC000527984463 300722744 /nfs/dbraw/zinc/72/27/44/300722744.db2.gz ZJYANUBNGYZXLK-VQSBYGRUSA-N 2 0 314.473 2.851 20 0 DFADRP C[C@@H](CCc1ccc2c(c1)OCO2)[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000530178654 301026231 /nfs/dbraw/zinc/02/62/31/301026231.db2.gz PKNPHRQYZMPUIV-GUYCJALGSA-N 2 0 302.418 2.611 20 0 DFADRP Cn1cc2ccc(C[NH2+][C@@H]3CCC[C@H]3[C@@H]3CCCC[NH2+]3)cc2n1 ZINC000530217924 301030243 /nfs/dbraw/zinc/03/02/43/301030243.db2.gz JDZLEAAKRUZSHI-OKZBNKHCSA-N 2 0 312.461 2.974 20 0 DFADRP CO[C@@H](Cc1ccc(F)cc1)C[N@@H+]1CC2(C[C@H]1C)CC[NH2+]CC2 ZINC000530222988 301031453 /nfs/dbraw/zinc/03/14/53/301031453.db2.gz IYADKHUHSANPGP-QAPCUYQASA-N 2 0 320.452 2.847 20 0 DFADRP COc1cccc(C[C@H]([NH2+][C@H]2CC[NH2+]C23CCC3)C2CC2)c1 ZINC000530224319 301031942 /nfs/dbraw/zinc/03/19/42/301031942.db2.gz WBVGTOUEAODRRR-ROUUACIJSA-N 2 0 300.446 2.891 20 0 DFADRP C[C@@H]1C[C@@H](C[NH+]2CCN(c3cccc4[nH]ccc43)CC2)CC[NH2+]1 ZINC000530247392 301033827 /nfs/dbraw/zinc/03/38/27/301033827.db2.gz RNXYSFMFNQDBLC-CVEARBPZSA-N 2 0 312.461 2.678 20 0 DFADRP CCc1cccc(NC(=O)CN(C)[C@@H]2CC[N@@H+](CC)[C@H](C)C2)c1 ZINC000530662795 301061956 /nfs/dbraw/zinc/06/19/56/301061956.db2.gz CBHZMYBCXMNCOU-CRAIPNDOSA-N 2 0 317.477 2.992 20 0 DFADRP CC[NH+](CC)CCC[C@H](C)[NH2+]C1CCN(c2cnccn2)CC1 ZINC000531680744 301103551 /nfs/dbraw/zinc/10/35/51/301103551.db2.gz PHPLYVSFEJIGME-INIZCTEOSA-N 2 0 319.497 2.546 20 0 DFADRP COc1cc(C)ccc1[C@H](C)[NH2+]CCCN1CCC[N@H+](C)CC1 ZINC000531704267 301104772 /nfs/dbraw/zinc/10/47/72/301104772.db2.gz OEDGKSDCIFOWTG-KRWDZBQOSA-N 2 0 319.493 2.682 20 0 DFADRP C[C@@H]1CC[N@H+](CCN[C@@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)C1 ZINC000531728253 301106877 /nfs/dbraw/zinc/10/68/77/301106877.db2.gz KMOOMZDTRPFIOR-QWFCFKBJSA-N 2 0 315.505 2.971 20 0 DFADRP CCC[NH+]1CCN(c2ccccc2C[NH2+]C[C@H]2C[C@H]2C)CC1 ZINC000531785872 301110382 /nfs/dbraw/zinc/11/03/82/301110382.db2.gz XUZPFIBQKMDIGO-SJLPKXTDSA-N 2 0 301.478 2.964 20 0 DFADRP CC(C)[N@H+](C)CC1CC[NH+](CC(=O)NCCC(C)(C)C)CC1 ZINC000531900669 301118076 /nfs/dbraw/zinc/11/80/76/301118076.db2.gz PLLPWJDZKXXLMU-UHFFFAOYSA-N 2 0 311.514 2.591 20 0 DFADRP C[N@@H+]1CCCN(CCC[NH2+][C@@H]2CCc3c2cccc3Cl)CC1 ZINC000532215497 301137011 /nfs/dbraw/zinc/13/70/11/301137011.db2.gz ZYTGSSCHXQGTIT-GOSISDBHSA-N 2 0 321.896 2.945 20 0 DFADRP COc1cc(C)ccc1[C@@H](C)[NH2+]C1CCN(CC[NH+](C)C)CC1 ZINC000532459730 301154331 /nfs/dbraw/zinc/15/43/31/301154331.db2.gz ZRVIOPWTWNPMII-MRXNPFEDSA-N 2 0 319.493 2.680 20 0 DFADRP CN1CC[NH+](CCCC[NH2+][C@H]2CCc3ccc(Cl)cc32)CC1 ZINC000534261965 301222008 /nfs/dbraw/zinc/22/20/08/301222008.db2.gz VQNYOXXOXAMBII-SFHVURJKSA-N 2 0 321.896 2.945 20 0 DFADRP C[N@@H+]1CCC[C@H]1CC[NH+]1CCC[C@H](CC(=O)OC(C)(C)C)C1 ZINC000534315751 301227469 /nfs/dbraw/zinc/22/74/69/301227469.db2.gz VEQNCOBPPAHTKY-CVEARBPZSA-N 2 0 310.482 2.915 20 0 DFADRP C[C@@H]1C[C@H]1c1ccc(C[NH2+]CCCC[NH+]2CCN(C)CC2)o1 ZINC000537237864 301296904 /nfs/dbraw/zinc/29/69/04/301296904.db2.gz UCSKTUFANRVGNI-NVXWUHKLSA-N 2 0 305.466 2.520 20 0 DFADRP C[N@@H+]1CC[C@@H]2CCN(Cc3cnc(-c4ccccc4)nc3)[C@@H]2C1 ZINC000540918968 301375122 /nfs/dbraw/zinc/37/51/22/301375122.db2.gz XPDNQAZPORXVRB-SJLPKXTDSA-N 2 0 308.429 2.670 20 0 DFADRP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+]CC[C@@H]1CCO[C@H](C)C1 ZINC000541370257 301385374 /nfs/dbraw/zinc/38/53/74/301385374.db2.gz ZTNISYYDVKOQCP-GDBMZVCRSA-N 2 0 314.433 2.871 20 0 DFADRP CC(C)[C@H]([NH2+]CCCC[NH+]1CCN(C)CC1)c1ccc(F)cn1 ZINC000541849723 301398753 /nfs/dbraw/zinc/39/87/53/301398753.db2.gz HQXFDTWMFBIDGC-SFHVURJKSA-N 2 0 322.472 2.535 20 0 DFADRP C[NH+]1CCC(C)(C[NH2+]Cc2cnc(-c3ccccc3)nc2)CC1 ZINC000543729277 301435091 /nfs/dbraw/zinc/43/50/91/301435091.db2.gz UTTZTXKGKIHBEG-UHFFFAOYSA-N 2 0 310.445 2.965 20 0 DFADRP Cc1ccc([C@@H](CNC(=O)[C@@H]([NH3+])CC(C)C)[NH+]2CCCC2)cc1 ZINC000236693300 301716031 /nfs/dbraw/zinc/71/60/31/301716031.db2.gz ORIWPECKVRGYTP-ZWKOTPCHSA-N 2 0 317.477 2.622 20 0 DFADRP CC1(C)CC([NH2+]C[C@@H](O)Cc2ccc(F)cc2)CC(C)(C)[NH2+]1 ZINC000556419912 301796073 /nfs/dbraw/zinc/79/60/73/301796073.db2.gz PZHXTDJRJFPKKG-INIZCTEOSA-N 2 0 308.441 2.628 20 0 DFADRP CC(C)[C@H]1CC[C@H]1[NH2+]CC1CC[NH+](CC(=O)NC(C)(C)C)CC1 ZINC000556867904 301817915 /nfs/dbraw/zinc/81/79/15/301817915.db2.gz CARZEZRVOIHREE-IAGOWNOFSA-N 2 0 323.525 2.637 20 0 DFADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+]Cc1c[nH]nc1-c1ccccc1F ZINC000556952874 301821461 /nfs/dbraw/zinc/82/14/61/301821461.db2.gz WMNIVNDYSVCBLE-ZKHDCCDFSA-N 2 0 314.408 2.821 20 0 DFADRP Cc1ccc2c(c1)[C@@H]([NH2+]CC1CC[NH+](CCO)CC1)CCCO2 ZINC000151841708 301903332 /nfs/dbraw/zinc/90/33/32/301903332.db2.gz XQNNJDDVPPVFPI-SFHVURJKSA-N 2 0 318.461 2.503 20 0 DFADRP Brc1cccc2c1C[C@@H]([NH2+]CC1CC[NH2+]CC1)CC2 ZINC000562956601 302017469 /nfs/dbraw/zinc/01/74/69/302017469.db2.gz BJZYBLQASNVCTN-AWEZNQCLSA-N 2 0 323.278 2.896 20 0 DFADRP CCOC[C@@H](O)C[NH2+]Cc1cccc(C[NH+]2CCCCCC2)c1 ZINC000562986636 302021562 /nfs/dbraw/zinc/02/15/62/302021562.db2.gz HORQDFGRAFOHSK-IBGZPJMESA-N 2 0 320.477 2.550 20 0 DFADRP CCn1c2ccccc2nc1C[NH+]1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000563136097 302040241 /nfs/dbraw/zinc/04/02/41/302040241.db2.gz RGXJNDOUJYJSEZ-MRXNPFEDSA-N 2 0 312.461 2.878 20 0 DFADRP CCC[N@H+](CC)Cc1ccc(C(=O)N2CC[C@@H]([NH3+])C[C@H]2C)cc1 ZINC000563349375 302065085 /nfs/dbraw/zinc/06/50/85/302065085.db2.gz HQFCSDJEKDSRML-CRAIPNDOSA-N 2 0 317.477 2.870 20 0 DFADRP COc1ccc(OC(F)F)c(CNCc2cnc(C)n2C)c1 ZINC000563441915 302073056 /nfs/dbraw/zinc/07/30/56/302073056.db2.gz USVFHXYEWHCTRR-UHFFFAOYSA-N 2 0 311.332 2.628 20 0 DFADRP C[C@H]([NH2+]CCc1nc(-c2ccccn2)cs1)[C@H]1CCC[NH2+]C1 ZINC000563446113 302073888 /nfs/dbraw/zinc/07/38/88/302073888.db2.gz WBHNJSKKDCOLEK-KBPBESRZSA-N 2 0 316.474 2.725 20 0 DFADRP CCN(C[C@@H]1CCC[N@@H+]1CC)C(=O)[C@@H](C)[NH+]1[C@H](C)CC[C@@H]1C ZINC000563492004 302076808 /nfs/dbraw/zinc/07/68/08/302076808.db2.gz CJOWTQBCWDYXPB-TWMKSMIVSA-N 2 0 309.498 2.581 20 0 DFADRP c1ccc(-c2nnc([C@@H]3CCC[N@H+]3CC[C@@H]3CC[NH2+]C3)[nH]2)cc1 ZINC000563670165 302091496 /nfs/dbraw/zinc/09/14/96/302091496.db2.gz LXRUMGCBGOGBCI-HOCLYGCPSA-N 2 0 311.433 2.608 20 0 DFADRP CC[N@@H+]1CC[C@H](N(C)C(=O)CC[C@@H]([NH3+])c2ccccc2)C[C@@H]1C ZINC000563961215 302112541 /nfs/dbraw/zinc/11/25/41/302112541.db2.gz XMTOBSNLPFCVBI-RYQLBKOJSA-N 2 0 317.477 2.798 20 0 DFADRP [NH3+][C@@H]1CCC[C@@H]([NH2+]C[C@@H]2C[C@H](F)CN2Cc2cccs2)C1 ZINC000564099393 302119256 /nfs/dbraw/zinc/11/92/56/302119256.db2.gz JXDGKRPFXBTBNP-YJNKXOJESA-N 2 0 311.470 2.520 20 0 DFADRP [NH3+][C@@H]1CCC[C@H]([NH2+]C[C@@H]2C[C@H](F)CN2Cc2cccs2)C1 ZINC000564099391 302119436 /nfs/dbraw/zinc/11/94/36/302119436.db2.gz JXDGKRPFXBTBNP-XGUBFFRZSA-N 2 0 311.470 2.520 20 0 DFADRP Cc1ccc(C)c(OC[C@@H](O)C[NH2+][C@H](C)C(C)(C)C[NH+](C)C)c1 ZINC000564319863 302128395 /nfs/dbraw/zinc/12/83/95/302128395.db2.gz QHRSVHKTZDFLIB-SJORKVTESA-N 2 0 322.493 2.609 20 0 DFADRP CC[N@H+](C)C[C@@H](O)CN1CCC(c2cccc(Cl)c2)CC1 ZINC000564344373 302130395 /nfs/dbraw/zinc/13/03/95/302130395.db2.gz QAGGACSIMRTPBG-QGZVFWFLSA-N 2 0 310.869 2.832 20 0 DFADRP CC[C@@H]([NH2+]CC1(SC)CC[NH+](C)CC1)C1CCOCC1 ZINC000564438394 302134800 /nfs/dbraw/zinc/13/48/00/302134800.db2.gz ISLXMTAWYCKALJ-OAHLLOKOSA-N 2 0 300.512 2.609 20 0 DFADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]Cc1ccc2cnn(C)c2c1 ZINC000564822568 302161172 /nfs/dbraw/zinc/16/11/72/302161172.db2.gz GIQQBSLCCZIJKC-PBHICJAKSA-N 2 0 300.450 2.974 20 0 DFADRP CC(=O)Nc1ccc(CC[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)cc1 ZINC000564823846 302161186 /nfs/dbraw/zinc/16/11/86/302161186.db2.gz NDGHXDFDQATXJC-QRVBRYPASA-N 2 0 315.461 2.698 20 0 DFADRP C[C@@H]([NH2+]CC[C@@H]1CCC[NH2+]C1)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000564822052 302161248 /nfs/dbraw/zinc/16/12/48/302161248.db2.gz GFQGFYWYHKVCGK-KGLIPLIRSA-N 2 0 315.461 2.957 20 0 DFADRP COc1ccc(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)cc1O ZINC000564825792 302161831 /nfs/dbraw/zinc/16/18/31/302161831.db2.gz HTEOGUXBKWNIOY-HRCADAONSA-N 2 0 304.434 2.801 20 0 DFADRP Cc1nn(-c2ccc(F)cc2)c(C)c1C[NH2+][C@@H](C)C[C@@H](C)[NH3+] ZINC000564973741 302178339 /nfs/dbraw/zinc/17/83/39/302178339.db2.gz QRFLTVVCYHXPTR-NEPJUHHUSA-N 2 0 304.413 2.844 20 0 DFADRP Cc1cccc(-c2n[nH]cc2C[N@@H+]2CC[C@]3(C2)CCC[NH2+]C3)c1 ZINC000564973459 302178430 /nfs/dbraw/zinc/17/84/30/302178430.db2.gz DRMIWYRXYXQCED-LJQANCHMSA-N 2 0 310.445 2.961 20 0 DFADRP CC(C)c1[nH+]c(CN2CC[C@H]3CC[N@H+](C)C[C@@H]32)c2ccccn21 ZINC000565083371 302192522 /nfs/dbraw/zinc/19/25/22/302192522.db2.gz NGZHZAWMFHAUGU-QAPCUYQASA-N 2 0 312.461 2.984 20 0 DFADRP [NH3+][C@@H]1CCC[C@H]([NH2+]CCCc2nc(-c3ccncc3)cs2)C1 ZINC000565226734 302210241 /nfs/dbraw/zinc/21/02/41/302210241.db2.gz MQXYWBDYDMGAJO-CABCVRRESA-N 2 0 316.474 2.997 20 0 DFADRP CC(C)(C)c1cccc(OCC[N@@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)c1 ZINC000565540390 302229227 /nfs/dbraw/zinc/22/92/27/302229227.db2.gz TVWADZVJOAWDBT-CVEARBPZSA-N 2 0 302.462 2.904 20 0 DFADRP C[N@H+](C[C@H](O)CNCc1ccc(-c2ccco2)cc1F)C1CC1 ZINC000565770164 302241421 /nfs/dbraw/zinc/24/14/21/302241421.db2.gz HJTSACVRGQLLHT-MRXNPFEDSA-N 2 0 318.392 2.630 20 0 DFADRP CCOc1ccc(CN(C[C@@H](O)C[N@H+](C)CC)C(C)C)cc1 ZINC000565841597 302244539 /nfs/dbraw/zinc/24/45/39/302244539.db2.gz GCKMCOGYVRFYIP-KRWDZBQOSA-N 2 0 308.466 2.608 20 0 DFADRP CCN(C(=O)CCCC[NH3+])[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000565890558 302247402 /nfs/dbraw/zinc/24/74/02/302247402.db2.gz UJYLNBGYVVPHAP-AEFFLSMTSA-N 2 0 317.477 2.799 20 0 DFADRP O[C@H](C[NH2+]Cc1c(Cl)cccc1-n1ccnc1)C(F)(F)F ZINC000566556209 302294678 /nfs/dbraw/zinc/29/46/78/302294678.db2.gz DSIIYVCXTNHAPH-GFCCVEGCSA-N 2 0 319.714 2.539 20 0 DFADRP C[C@@H]1CCC[N@H+](CCCC[NH2+]C[C@@H](O)Cc2ccccc2)C1 ZINC000566614938 302298986 /nfs/dbraw/zinc/29/89/86/302298986.db2.gz AYZTWFHIKAARQT-MJGOQNOKSA-N 2 0 304.478 2.692 20 0 DFADRP C[C@H]([NH2+][C@@H]1CCc2nc[nH]c2C1)c1ccc(-n2cccn2)cc1 ZINC000566708861 302305568 /nfs/dbraw/zinc/30/55/68/302305568.db2.gz ZSOZUAHOZSZPJX-DZGCQCFKSA-N 2 0 307.401 2.804 20 0 DFADRP COc1cc2c(cc1CNCC1([NH3+])CCCCC1)O[C@H](C)C2 ZINC000567141943 302339596 /nfs/dbraw/zinc/33/95/96/302339596.db2.gz KOYGITGDSOXJRI-CYBMUJFWSA-N 2 0 304.434 2.770 20 0 DFADRP COC1CC[NH+](C2(CN[C@H]3CCCCC[C@@H]3[NH3+])CCCC2)CC1 ZINC000567579876 302369528 /nfs/dbraw/zinc/36/95/28/302369528.db2.gz OWKVXHUZBCTDCZ-ROUUACIJSA-N 3 0 323.525 2.660 20 0 DFADRP CC(C)C[C@@H]1OCCC[C@@H]1[NH2+]Cc1cc(C2CC[NH2+]CC2)no1 ZINC000567663283 302377276 /nfs/dbraw/zinc/37/72/76/302377276.db2.gz PXHYXKVDUOCXCU-WMZOPIPTSA-N 2 0 321.465 2.825 20 0 DFADRP CCCC[N@H+](C)C[C@H](C)NC(=O)CC[C@@H]([NH3+])c1ccccc1 ZINC000567825211 302390613 /nfs/dbraw/zinc/39/06/13/302390613.db2.gz BKBJYCBWWDDECL-DOTOQJQBSA-N 2 0 305.466 2.703 20 0 DFADRP C[N@H+](C[C@H](O)[C@@H]([NH3+])Cc1ccccc1)[C@@H]1CCCc2ccccc21 ZINC000567897023 302397746 /nfs/dbraw/zinc/39/77/46/302397746.db2.gz UJJOYERGEYBLAC-HBMCJLEFSA-N 2 0 324.468 2.927 20 0 DFADRP c1cc2c(cc1C[NH+]1CCC(C3CCOCC3)CC1)C[NH2+]CC2 ZINC000568051629 302413047 /nfs/dbraw/zinc/41/30/47/302413047.db2.gz URXZYCSMZOKPKX-UHFFFAOYSA-N 2 0 314.473 2.971 20 0 DFADRP CC(C)(C)CC(C)(C)[NH+]1CCC([NH2+]CCN2CCCC2=O)CC1 ZINC000568051897 302413051 /nfs/dbraw/zinc/41/30/51/302413051.db2.gz CPEHDSLNMSSLDA-UHFFFAOYSA-N 2 0 323.525 2.878 20 0 DFADRP C[C@H](C(=O)Nc1cccc(Cl)c1)[NH+]1CCC(CC[NH3+])CC1 ZINC000568057234 302413768 /nfs/dbraw/zinc/41/37/68/302413768.db2.gz XQNZWVVMNQDDFC-GFCCVEGCSA-N 2 0 309.841 2.728 20 0 DFADRP O=C(C[C@@H]1CCC[NH2+]C1)Nc1cccc(CC[NH+]2CCCC2)c1 ZINC000568411241 302448841 /nfs/dbraw/zinc/44/88/41/302448841.db2.gz KYXVYOAPGHESIL-KRWDZBQOSA-N 2 0 315.461 2.653 20 0 DFADRP CC(C)c1[nH+]c(CN2CCC[C@H]([NH+](C)C)C2)c2ccccn21 ZINC000570049239 302553473 /nfs/dbraw/zinc/55/34/73/302553473.db2.gz HQYMMINBAAPMHZ-HNNXBMFYSA-N 2 0 300.450 2.984 20 0 DFADRP CC1CC[NH+](Cc2ccccc2CNC(=O)CCCC[NH3+])CC1 ZINC000574038118 302737176 /nfs/dbraw/zinc/73/71/76/302737176.db2.gz WKPSNLOMFSPQQO-UHFFFAOYSA-N 2 0 317.477 2.664 20 0 DFADRP Cc1ccccc1CCC[N@@H+](C)CCN(C)C1CC[NH+](C)CC1 ZINC000180958900 316047479 /nfs/dbraw/zinc/04/74/79/316047479.db2.gz RCSQOQQSOGWCIW-UHFFFAOYSA-N 2 0 317.521 2.885 20 0 DFADRP CCO[C@@H]1C[C@@H]([NH2+]Cc2ccccc2OCC[NH+](C)C)C1(C)C ZINC000181627196 316065744 /nfs/dbraw/zinc/06/57/44/316065744.db2.gz NAWQQRMDSHCQGU-QZTJIDSGSA-N 2 0 320.477 2.920 20 0 DFADRP COc1cc([C@H](C)[NH2+][C@H](C)CCN2CC[NH+](C)CC2)ccc1F ZINC000186566429 316202046 /nfs/dbraw/zinc/20/20/46/316202046.db2.gz HDNWUIFNHDDELX-CABCVRRESA-N 2 0 323.456 2.511 20 0 DFADRP C[NH+](C)Cc1ccc(NC(=O)[C@H]2C[NH2+]Cc3ccccc32)cc1 ZINC000321067984 316255964 /nfs/dbraw/zinc/25/59/64/316255964.db2.gz BZXCFMJAFLVPAQ-SFHVURJKSA-N 2 0 309.413 2.574 20 0 DFADRP CC[NH+](CC)[C@@H](CNC(=O)[C@H]1CCCCC[NH2+]1)c1ccccc1 ZINC000321941629 316257770 /nfs/dbraw/zinc/25/77/70/316257770.db2.gz BJAMSVMEHQHPEW-MSOLQXFVSA-N 2 0 317.477 2.718 20 0 DFADRP C[C@H](CC(C)(C)c1ccccc1)[NH2+]CCCN1CC[NH2+]CC1 ZINC000414780548 316653330 /nfs/dbraw/zinc/65/33/30/316653330.db2.gz LPUAAAMTNNAAHN-QGZVFWFLSA-N 2 0 303.494 2.628 20 0 DFADRP COc1ccc(C[NH2+][C@@H]2CCC[C@@H]2C[NH3+])cc1OCC(C)C ZINC000414794759 316660049 /nfs/dbraw/zinc/66/00/49/316660049.db2.gz MCTSXQBCVCRDFE-HZPDHXFCSA-N 2 0 306.450 2.947 20 0 DFADRP [NH3+]C[C@H]1CCCC[C@@H]1[NH2+]Cc1cnc(-c2ccncc2)s1 ZINC000414793532 316660137 /nfs/dbraw/zinc/66/01/37/316660137.db2.gz DPCCSIUXSRTUQX-HIFRSBDPSA-N 2 0 302.447 2.812 20 0 DFADRP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(OC[C@H]2CCCO2)cc1 ZINC000414800857 316662687 /nfs/dbraw/zinc/66/26/87/316662687.db2.gz LMWSVINIJDFEPM-QXAKKESOSA-N 2 0 318.461 2.852 20 0 DFADRP CC[C@@H]([NH2+]CC(=O)NCC[NH+]1CCCCCC1)c1ccccc1 ZINC000431108054 316859322 /nfs/dbraw/zinc/85/93/22/316859322.db2.gz SSABDUBTNCQIRQ-GOSISDBHSA-N 2 0 317.477 2.720 20 0 DFADRP CO[C@@H](C)c1cccc(NC(=O)CCC[NH+]2CCC([NH3+])CC2)c1 ZINC000433115372 316878148 /nfs/dbraw/zinc/87/81/48/316878148.db2.gz JHEOOUIGORKBSO-AWEZNQCLSA-N 2 0 319.449 2.536 20 0 DFADRP COC[C@@H]([NH2+]Cc1ccc(OCC[NH+](C)C)cc1)C1CCCC1 ZINC000446757484 317022218 /nfs/dbraw/zinc/02/22/18/317022218.db2.gz BAKYFCCPJVGUOS-LJQANCHMSA-N 2 0 320.477 2.922 20 0 DFADRP CCOC(=O)[C@@H]1CC[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)C[C@H]1C ZINC000449559524 317044761 /nfs/dbraw/zinc/04/47/61/317044761.db2.gz BWVAMNZSKYVHCC-FAHTYWLASA-N 2 0 308.466 2.569 20 0 DFADRP CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C2CCCC2)C1 ZINC000450097938 317059770 /nfs/dbraw/zinc/05/97/70/317059770.db2.gz RQZDFGOLPGDWOI-NJAFHUGGSA-N 2 0 321.509 2.628 20 0 DFADRP C[C@@H](O)C[N@H+](C)C1CC[NH+](CC/C=C/c2ccccc2)CC1 ZINC000450376139 317087555 /nfs/dbraw/zinc/08/75/55/317087555.db2.gz ZTGPEJOMBZMOGC-DKISHCGFSA-N 2 0 302.462 2.867 20 0 DFADRP C[C@H](c1ccccc1)[C@H](O)C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000450497106 317098387 /nfs/dbraw/zinc/09/83/87/317098387.db2.gz CDCTWYTYCUUSFJ-NXWXRZEISA-N 2 0 302.462 2.567 20 0 DFADRP CCC[C@H]([NH2+]C[C@H](O)CN1CCc2ccccc2C1)C1CCC1 ZINC000453088977 317160341 /nfs/dbraw/zinc/16/03/41/317160341.db2.gz QMBLRDHYIRAUIJ-PMACEKPBSA-N 2 0 316.489 2.964 20 0 DFADRP CCC[C@@H]([NH2+]C[C@@H](O)CN1CCc2ccccc2C1)C1CCC1 ZINC000453088984 317160352 /nfs/dbraw/zinc/16/03/52/317160352.db2.gz QMBLRDHYIRAUIJ-WOJBJXKFSA-N 2 0 316.489 2.964 20 0 DFADRP COCCN1CCC[C@H]1C[NH2+]C1CCc2ccccc2CC1 ZINC000453094570 317161181 /nfs/dbraw/zinc/16/11/81/317161181.db2.gz QFILOWDVXHCKAB-IBGZPJMESA-N 2 0 302.462 2.634 20 0 DFADRP C[C@H](NC[C@H]1CC[N@H+](CCc2ccccc2)C1)c1ccncn1 ZINC000453103442 317162669 /nfs/dbraw/zinc/16/26/69/317162669.db2.gz CHLQDLRHUUSPDZ-FUHWJXTLSA-N 2 0 310.445 2.692 20 0 DFADRP CC1CC[NH+](C[C@H](O)C[NH2+]C2CCc3ccccc3CC2)CC1 ZINC000453103497 317162836 /nfs/dbraw/zinc/16/28/36/317162836.db2.gz AYYMMEBTHMEYMA-HXUWFJFHSA-N 2 0 316.489 2.616 20 0 DFADRP COc1ncc(C[NH2+][C@@H]2CC[N@H+](C)[C@@H]3CCC[C@H]32)cc1Cl ZINC000453292277 317176418 /nfs/dbraw/zinc/17/64/18/317176418.db2.gz NIWJSRUCJWWECU-NWANDNLSSA-N 2 0 309.841 2.706 20 0 DFADRP C[N@H+](CCCC[NH2+]Cc1cnn(Cc2ccccc2)c1)C1CC1 ZINC000453590129 317191804 /nfs/dbraw/zinc/19/18/04/317191804.db2.gz ASNZEORPYQBXOL-UHFFFAOYSA-N 2 0 312.461 2.895 20 0 DFADRP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)C[C@@H]2C[C@H]2c2ccccc2)CC1 ZINC000459335858 317319655 /nfs/dbraw/zinc/31/96/55/317319655.db2.gz OMCWTWNPTUCHTL-UXPWSPDFSA-N 2 0 316.489 2.815 20 0 DFADRP CCO[C@@H]1C[C@H]([NH2+]CCC[N@@H+]2CCCC[C@@H]2C)[C@@H]1SC ZINC000459366797 317322737 /nfs/dbraw/zinc/32/27/37/317322737.db2.gz BVNWLERQTYLERZ-JONQDZQNSA-N 2 0 300.512 2.750 20 0 DFADRP C[C@H]([NH2+]Cc1ccccc1C[N@@H+]1CC[C@@H](O)C1)[C@@H]1CC1(C)C ZINC000487556795 317347263 /nfs/dbraw/zinc/34/72/63/317347263.db2.gz IPPSDIFOWBKYGJ-QGTPRVQTSA-N 2 0 302.462 2.777 20 0 DFADRP CCC[C@@H](C(=O)NC[C@@H]1CCC[N@@H+]1CC1CCCCC1)[NH+](C)C ZINC000488240230 317378221 /nfs/dbraw/zinc/37/82/21/317378221.db2.gz SCFBMPVNFPJMAC-ROUUACIJSA-N 2 0 323.525 2.878 20 0 DFADRP C[C@H]1C[C@@H]1C[NH2+]CCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000488421649 317391741 /nfs/dbraw/zinc/39/17/41/317391741.db2.gz SYSKTQDDQGVIJM-ZWKOTPCHSA-N 2 0 301.478 2.834 20 0 DFADRP C[C@@H]1C[C@H]1C[NH2+]CCCN1CC[N@H+](C)C[C@H]1c1ccccc1 ZINC000488436965 317393278 /nfs/dbraw/zinc/39/32/78/317393278.db2.gz CNQDKPDLGGPQFA-NEWSRXKRSA-N 2 0 301.478 2.611 20 0 DFADRP CC(C)(C)[C@@H]1C[C@@H]([NH2+]CCCC[N@@H+]2CCC[C@H]2CO)CS1 ZINC000488454337 317394751 /nfs/dbraw/zinc/39/47/51/317394751.db2.gz YGUUZTKJKRGOEX-PMPSAXMXSA-N 2 0 314.539 2.733 20 0 DFADRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@@H]1CS[C@H](C(C)(C)C)C1 ZINC000488520954 317399431 /nfs/dbraw/zinc/39/94/31/317399431.db2.gz RPRBBJSLRUPNGP-ZNMIVQPWSA-N 2 0 302.528 2.853 20 0 DFADRP CCC[C@H](C[NH+]1CCN([C@H]2CC[NH2+]C2)CC1)c1ccccc1 ZINC000491132392 317551072 /nfs/dbraw/zinc/55/10/72/317551072.db2.gz IQBMHOPQBXAJOC-MOPGFXCFSA-N 2 0 301.478 2.550 20 0 DFADRP COC[C@H](C)C[NH2+]Cc1ccc(OC2CC[NH+](C)CC2)cc1 ZINC000556604709 317866825 /nfs/dbraw/zinc/86/68/25/317866825.db2.gz LJLGHEKLADUDIL-OAHLLOKOSA-N 2 0 306.450 2.532 20 0 DFADRP CC[NH+]1CCC(C[NH2+]Cc2c[nH]nc2-c2ccsc2)CC1 ZINC000559616231 317891939 /nfs/dbraw/zinc/89/19/39/317891939.db2.gz NJMMCQHTGPKRMS-UHFFFAOYSA-N 2 0 304.463 2.960 20 0 DFADRP [NH3+]C[C@H]1CCC[C@H]1[NH2+]CCc1nc(-c2cccc(Cl)c2)no1 ZINC000566091207 317937164 /nfs/dbraw/zinc/93/71/64/317937164.db2.gz ARWCYZLVKKZCPN-TZMCWYRMSA-N 2 0 320.824 2.650 20 0 DFADRP COc1ccc(-c2nc(C[NH+]3CCC(CC[NH3+])CC3)co2)cc1 ZINC000567173164 317955991 /nfs/dbraw/zinc/95/59/91/317955991.db2.gz OQQRDPITPNDIHJ-UHFFFAOYSA-N 2 0 315.417 2.911 20 0 DFADRP C[C@H](NC[C@H](c1ccco1)[NH+]1CCCCC1)[C@H]1CCC[NH2+]C1 ZINC000575243646 318072084 /nfs/dbraw/zinc/07/20/84/318072084.db2.gz UXWFFPMVEVCHIK-YESZJQIVSA-N 2 0 305.466 2.784 20 0 DFADRP C[C@H](CC(=O)Nc1cccc(F)c1)[NH2+]Cc1ccc(C[NH3+])cc1 ZINC000575312623 318073035 /nfs/dbraw/zinc/07/30/35/318073035.db2.gz YQVLPOOCZQDZFL-CYBMUJFWSA-N 2 0 315.392 2.791 20 0 DFADRP Fc1ccc(OCCC[NH+]2CCC([C@H]3CC[NH2+]C3)CC2)cc1 ZINC000575401970 318076073 /nfs/dbraw/zinc/07/60/73/318076073.db2.gz XCZSGTHNFBCKIL-INIZCTEOSA-N 2 0 306.425 2.916 20 0 DFADRP C[C@@H]([NH2+]CC1CC[NH2+]CC1)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000575795004 318083740 /nfs/dbraw/zinc/08/37/40/318083740.db2.gz AJKAQGJJZVNQBX-GFCCVEGCSA-N 2 0 301.434 2.567 20 0 DFADRP Cc1cccc(C)c1OC[C@H](O)C[NH2+][C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000575861594 318088030 /nfs/dbraw/zinc/08/80/30/318088030.db2.gz BYAJYVMIEGDXAY-KZNAEPCWSA-N 2 0 320.477 2.506 20 0 DFADRP Cc1ccc(C[NH2+]C2CCC(C[NH3+])CC2)c(O[C@@H]2CCOC2)c1 ZINC000575980123 318095544 /nfs/dbraw/zinc/09/55/44/318095544.db2.gz UIZYVWZOFLYBGF-VMWRSERWSA-N 2 0 318.461 2.770 20 0 DFADRP CC(C)C[N@@H+]1CC[C@H](C[NH2+]C[C@@H](O)Cc2cccc(Cl)c2)C1 ZINC000576030476 318099287 /nfs/dbraw/zinc/09/92/87/318099287.db2.gz YIQZPNYMZZNBML-AEFFLSMTSA-N 2 0 324.896 2.811 20 0 DFADRP C[C@H]([NH3+])c1ccc(CNC(=O)CC[C@@H]([NH3+])c2ccccc2)cc1 ZINC000576211892 318111235 /nfs/dbraw/zinc/11/12/35/318111235.db2.gz LOLAHILDANIYTR-KBXCAEBGSA-N 2 0 311.429 2.803 20 0 DFADRP Cc1ncc(C[NH2+]C[C@@H](C)c2nc(-c3ccccc3)no2)n1C ZINC000576411651 318124524 /nfs/dbraw/zinc/12/45/24/318124524.db2.gz SZIFUOJCNOVUKU-GFCCVEGCSA-N 2 0 311.389 2.672 20 0 DFADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+][C@H](c1ccccc1)c1cncnc1 ZINC000576744208 318146975 /nfs/dbraw/zinc/14/69/75/318146975.db2.gz ZWNRNKYQMWWKLK-CNCYXEHGSA-N 2 0 308.429 2.672 20 0 DFADRP Cc1cccc(OC[C@H](O)C[NH2+][C@H](CC[NH+](C)C)C(C)(C)C)c1 ZINC000577055188 318168168 /nfs/dbraw/zinc/16/81/68/318168168.db2.gz LMGUBXRIMZXAEN-SJLPKXTDSA-N 2 0 322.493 2.691 20 0 DFADRP CC[C@@H]1C[N@H+](C[C@@H](O)C[NH+](C)CC)CC[C@@H]1c1ccccc1 ZINC000577454580 318193230 /nfs/dbraw/zinc/19/32/30/318193230.db2.gz NRJKOJKMFBTEHW-NEWSRXKRSA-N 2 0 304.478 2.815 20 0 DFADRP C[C@H](C[NH2+][C@@H]1CC[NH2+]CC[C@@H]1C)c1nc(-c2ccccc2)no1 ZINC000577740106 318213716 /nfs/dbraw/zinc/21/37/16/318213716.db2.gz GOZONXDGSVOFHU-SQWLQELKSA-N 2 0 314.433 2.818 20 0 DFADRP Cn1cc([C@H]2C[N@H+](CC[C@@H]3CCCC[NH+]3C)CC2(C)C)cn1 ZINC000578079726 318236596 /nfs/dbraw/zinc/23/65/96/318236596.db2.gz BKJIHPKPSAVMDF-DLBZAZTESA-N 2 0 304.482 2.720 20 0 DFADRP C[C@@H]1C[C@H]([NH3+])CC[N@@H+]1CCC(=O)Nc1ccc(Cl)cc1F ZINC000578140003 318240625 /nfs/dbraw/zinc/24/06/25/318240625.db2.gz VQARRQABNHVJFY-ZYHUDNBSSA-N 2 0 313.804 2.619 20 0 DFADRP c1cc(N2CCN(CCC[NH2+][C@H]3CCCC34CC4)CC2)cc[nH+]1 ZINC000578454368 318262464 /nfs/dbraw/zinc/26/24/64/318262464.db2.gz XPPOQVUPTLSHOL-SFHVURJKSA-N 2 0 314.477 2.516 20 0 DFADRP CCc1cccc(C[NH2+]C2CCN(C3CC[NH+](C)CC3)CC2)c1 ZINC000578658267 318276234 /nfs/dbraw/zinc/27/62/34/318276234.db2.gz ROZHUSPCUJKNPX-UHFFFAOYSA-N 2 0 315.505 2.897 20 0 DFADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]Cc1cccc(NC(=O)C2CCC2)c1 ZINC000578756759 318283304 /nfs/dbraw/zinc/28/33/04/318283304.db2.gz LQYYZNKXSLUYTR-RDTXWAMCSA-N 2 0 315.461 2.903 20 0 DFADRP Cc1cccc(NC(=O)C[C@H](C)[NH2+]CCC[C@@H]2CCC[NH2+]2)c1 ZINC000578978854 318298986 /nfs/dbraw/zinc/29/89/86/318298986.db2.gz ASRLZHHBIYPXTQ-JKSUJKDBSA-N 2 0 303.450 2.834 20 0 DFADRP CCO[C@@H]1C[C@@H]([NH2+]CCC[NH2+]C(C)C)[C@@H]1Oc1ccccc1 ZINC000579100081 318307174 /nfs/dbraw/zinc/30/71/74/318307174.db2.gz IHBAVGGEGPWBSZ-KURKYZTESA-N 2 0 306.450 2.589 20 0 DFADRP CC1CC[NH+]([C@@H](CNC(=O)CCCC[NH3+])c2cccs2)CC1 ZINC000579115987 318308223 /nfs/dbraw/zinc/30/82/23/318308223.db2.gz AFUBJZYMXBAIGX-HNNXBMFYSA-N 2 0 323.506 2.766 20 0 DFADRP C[C@@H]([NH2+]CCOc1ccc(Cl)c(F)c1)[C@H]1CCC[NH2+]C1 ZINC000579341998 318323426 /nfs/dbraw/zinc/32/34/26/318323426.db2.gz IUTXGXIBFBSBRS-NEPJUHHUSA-N 2 0 300.805 2.836 20 0 DFADRP C[C@@H](NC(=O)C[C@H](C)n1ccnc1)c1cccc(-n2ccnc2)c1 ZINC000579360752 318325703 /nfs/dbraw/zinc/32/57/03/318325703.db2.gz NRLXMDYKADJJKY-LSDHHAIUSA-N 2 0 323.400 2.897 20 0 DFADRP CC[C@@H]([NH3+])C(=O)Nc1cccc(CC[NH+]2CCC(C)CC2)c1 ZINC000579706746 318348723 /nfs/dbraw/zinc/34/87/23/318348723.db2.gz YFWHXEXJGSKDJD-QGZVFWFLSA-N 2 0 303.450 2.637 20 0 DFADRP Cc1ncc2c(n1)CC[C@H]([NH2+][C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1)C2 ZINC000579825104 318356185 /nfs/dbraw/zinc/35/61/85/318356185.db2.gz MDCQGHIMNCHACH-RNIPGJKVSA-N 2 0 314.477 2.543 20 0 DFADRP COc1cc(C[NH+]2CCC(CC[NH3+])CC2)cc(Cl)c1OC ZINC000579844838 318358203 /nfs/dbraw/zinc/35/82/03/318358203.db2.gz OQEKRNIBZXAIDV-UHFFFAOYSA-N 2 0 312.841 2.918 20 0 DFADRP Cc1ccc(-c2n[nH]cc2C[N@H+]2CC3(C[C@H]2C)CC[NH2+]CC3)o1 ZINC000580183419 318381711 /nfs/dbraw/zinc/38/17/11/318381711.db2.gz SZZTYXHGJGFHKN-CYBMUJFWSA-N 2 0 314.433 2.942 20 0 DFADRP C[C@H](NC(=O)OC(C)(C)C)[C@H](C)[NH2+][C@H]1C[C@@H](C)[N@H+](C)C[C@H]1C ZINC000381524084 323294686 /nfs/dbraw/zinc/29/46/86/323294686.db2.gz YJABHOOPXKAIBL-MRLBHPIUSA-N 2 0 313.486 2.606 20 0 DFADRP CC(C)C[C@@H]([NH3+])CN(C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000382737908 323302698 /nfs/dbraw/zinc/30/26/98/323302698.db2.gz KELFNVFCDGWFHK-RBUKOAKNSA-N 2 0 303.494 2.814 20 0 DFADRP c1ccc(COC[C@H]2CC[N@@H+](CC[C@@H]3CCC[NH2+]C3)C2)cc1 ZINC000384051497 323305627 /nfs/dbraw/zinc/30/56/27/323305627.db2.gz UDQLTAACVRAHAO-HKUYNNGSSA-N 2 0 302.462 2.915 20 0 DFADRP Brc1ccc(C[N@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)s1 ZINC000383818190 323305751 /nfs/dbraw/zinc/30/57/51/323305751.db2.gz HDWMDFMZVHISHR-PHIMTYICSA-N 2 0 315.280 2.942 20 0 DFADRP O=C(CC1CC[NH2+]CC1)Nc1ccc(C[NH+]2CCCC2)cc1 ZINC000387133704 323322736 /nfs/dbraw/zinc/32/27/36/323322736.db2.gz KSZBIHARPLRISK-UHFFFAOYSA-N 2 0 301.434 2.611 20 0 DFADRP C[N@H+](CC[C@H]1CC[NH2+]C1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000388747041 323332621 /nfs/dbraw/zinc/33/26/21/323332621.db2.gz DGGIJYKREKUWSB-IEBWSBKVSA-N 2 0 301.478 2.582 20 0 DFADRP C[NH2+]CCC1CC[NH+](Cc2cc3c(cc2OC)C[C@H](C)O3)CC1 ZINC000391428363 323345536 /nfs/dbraw/zinc/34/55/36/323345536.db2.gz ASBSDTFZRIQITR-AWEZNQCLSA-N 2 0 318.461 2.840 20 0 DFADRP C[NH+]1CCC(C)(C[NH2+]C2CCC(O)(C(F)(F)F)CC2)CC1 ZINC000396314653 323352374 /nfs/dbraw/zinc/35/23/74/323352374.db2.gz BATRVGUZRSSXNN-UHFFFAOYSA-N 2 0 308.388 2.544 20 0 DFADRP CC1CCN(CC[NH2+]C2CCC(O)(C(F)(F)F)CC2)CC1 ZINC000396316410 323352895 /nfs/dbraw/zinc/35/28/95/323352895.db2.gz DLLKRQGEZSYTTC-UHFFFAOYSA-N 2 0 308.388 2.544 20 0 DFADRP C[C@H](C[NH2+]C1CCC(O)(C(F)(F)F)CC1)C[NH+]1CCCCC1 ZINC000396377275 323353629 /nfs/dbraw/zinc/35/36/29/323353629.db2.gz UDYNUQOIBMLJGK-WLYUNCDWSA-N 2 0 322.415 2.934 20 0 DFADRP CC(C)[C@H](C(=O)Nc1ccc(C[NH+]2CCCC2)cc1)[C@H](C)[NH3+] ZINC000399551560 323359921 /nfs/dbraw/zinc/35/99/21/323359921.db2.gz AAPIFWCTECGICR-YOEHRIQHSA-N 2 0 303.450 2.840 20 0 DFADRP CC1(C)[C@H]([NH2+]CC2CC[NH2+]CC2)C[C@@H]1OCc1ccccc1 ZINC000580827872 323439875 /nfs/dbraw/zinc/43/98/75/323439875.db2.gz XXGDWRFFUFJCSL-MSOLQXFVSA-N 2 0 302.462 2.960 20 0 DFADRP [NH3+]C[C@H]1CC[C@H](C[NH2+]Cc2cnc([C@@H]3CCCO3)s2)CC1 ZINC000582474367 323677349 /nfs/dbraw/zinc/67/73/49/323677349.db2.gz TXGKPXZNHYZNGJ-YDHLFZDLSA-N 2 0 309.479 2.849 20 0 DFADRP C[C@@](O)(C[NH2+]Cc1ccccc1C[NH+]1CCCC1)C(F)(F)F ZINC000584464596 337346542 /nfs/dbraw/zinc/34/65/42/337346542.db2.gz ATZKATNMYIXZMC-OAHLLOKOSA-N 2 0 316.367 2.685 20 0 DFADRP CC(C)[C@@H]1CC[C@H]1[NH2+]CC1CC[NH+](CC(=O)NC(C)(C)C)CC1 ZINC000556867900 517467931 /nfs/dbraw/zinc/46/79/31/517467931.db2.gz CARZEZRVOIHREE-DLBZAZTESA-N 2 0 323.525 2.637 20 0 DFADRP Cc1ccc2[nH+]ccc(N3CC[C@H](C[NH+]4CCOCC4)C3)c2c1 ZINC000302180019 534522800 /nfs/dbraw/zinc/52/28/00/534522800.db2.gz ZAJGWADBPAWCEQ-MRXNPFEDSA-N 2 0 311.429 2.702 20 0 DFADRP CCOC1CC(CC[NH2+][C@@H]2CC[N@H+](C[C@H]3CCCO3)C[C@H]2C)C1 ZINC000364841805 521645570 /nfs/dbraw/zinc/64/55/70/521645570.db2.gz BTEFNBUXEVBABA-RECFNFPXSA-N 2 0 324.509 2.671 20 0 DFADRP CCN1CC[NH+](CCCC[NH2+][C@H]2CCc3c2cccc3C)CC1 ZINC000154459953 521680345 /nfs/dbraw/zinc/68/03/45/521680345.db2.gz OPSTYXBJQHSBOU-FQEVSTJZSA-N 2 0 315.505 2.990 20 0 DFADRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H](C)C[C@@H]2CCCO2)[C@H](C)C1 ZINC000156721818 521708294 /nfs/dbraw/zinc/70/82/94/521708294.db2.gz YOSUTUSVOIKUKG-OWSLCNJRSA-N 2 0 312.498 2.671 20 0 DFADRP CC[C@H](C)[C@H](O)C[NH2+][C@@H](C)c1ccc(OCC[NH+](C)C)cc1 ZINC000163910764 521996739 /nfs/dbraw/zinc/99/67/39/521996739.db2.gz BXTLMLQNYSAWSD-RLFYNMQTSA-N 2 0 308.466 2.685 20 0 DFADRP Cc1ccc(CC2(O)CC[NH+](CC[C@H]3CCC[N@H+]3C)CC2)cc1 ZINC000366368587 524280354 /nfs/dbraw/zinc/28/03/54/524280354.db2.gz GBOFSVLIPGLVRZ-LJQANCHMSA-N 2 0 316.489 2.849 20 0 DFADRP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@H]1CC[C@H](c2ccccc2)C1 ZINC000131316997 524346543 /nfs/dbraw/zinc/34/65/43/524346543.db2.gz IILIHDBVYOFJGK-NEWSRXKRSA-N 2 0 301.478 2.548 20 0 DFADRP C[C@H]([NH2+]C[C@@H]1CCC[C@H](O)C1)c1ccc(OCC[NH+](C)C)cc1 ZINC000163307961 525389848 /nfs/dbraw/zinc/38/98/48/525389848.db2.gz OIKDPYJRFPBDAX-JZXOWHBKSA-N 2 0 320.477 2.829 20 0 DFADRP O[C@H](CCc1ccccc1)C[NH2+]C1CC[NH+](C2CCCC2)CC1 ZINC000364955219 527683570 /nfs/dbraw/zinc/68/35/70/527683570.db2.gz LYXYMFPZQSNNNV-HXUWFJFHSA-N 2 0 316.489 2.977 20 0 DFADRP CCO[C@@H]1C[C@H]([NH2+]C2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)C1(C)C ZINC000305767016 527936389 /nfs/dbraw/zinc/93/63/89/527936389.db2.gz FOAWZOCYQJQXSA-XWTMOSNGSA-N 2 0 324.509 2.548 20 0 DFADRP CCOc1cc(C[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@H+]3C)ccc1O ZINC000316086465 528274304 /nfs/dbraw/zinc/27/43/04/528274304.db2.gz BKXPQWHABJBPAK-MQVJKMGUSA-N 2 0 304.434 2.896 20 0 DFADRP CCCc1ccc2[nH+]ccc(N3CCC([NH2+]CCO)CC3)c2c1 ZINC000297489999 528631074 /nfs/dbraw/zinc/63/10/74/528631074.db2.gz MJFFXIGQLGYBNR-UHFFFAOYSA-N 2 0 313.445 2.738 20 0 DFADRP CC(C)[NH+]1CCC([N@H+](C)C[C@H](O)Cc2ccc(F)cc2)CC1 ZINC000293076771 528990846 /nfs/dbraw/zinc/99/08/46/528990846.db2.gz MFJKUXUVOFOHIU-GOSISDBHSA-N 2 0 308.441 2.534 20 0 DFADRP CC(=O)c1ccccc1OCC[NH+]1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000261850384 534925688 /nfs/dbraw/zinc/92/56/88/534925688.db2.gz ZTXNLCGXNILGQX-GOSISDBHSA-N 2 0 316.445 2.732 20 0 DFADRP CC(C)[NH+]1CCC(C(=O)NCCC[NH+]2C[C@H](C)C[C@@H](C)C2)CC1 ZINC000174649343 535146079 /nfs/dbraw/zinc/14/60/79/535146079.db2.gz DCOZJNRMOOIQDE-IAGOWNOFSA-N 2 0 323.525 2.591 20 0 DFADRP CC1(C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)OCCO1 ZINC000245639597 535158142 /nfs/dbraw/zinc/15/81/42/535158142.db2.gz ALUDZGIUVBJIAP-NNZMDNLPSA-N 2 0 316.445 2.535 20 0 DFADRP CC[NH+](CC)CCC[C@H](C)NC(=O)C[C@H](C)[C@H]1CCC[NH2+]C1 ZINC000262332664 535521384 /nfs/dbraw/zinc/52/13/84/535521384.db2.gz SQVRXUOGTGTLMK-ULQDDVLXSA-N 2 0 311.514 2.639 20 0 DFADRP CCC[C@@](C)([NH3+])C(=O)NC[C@@H](c1ccsc1)[NH+](CC)CC ZINC000262703672 535528467 /nfs/dbraw/zinc/52/84/67/535528467.db2.gz KOSNFTUGWHRSKD-GOEBONIOSA-N 2 0 311.495 2.765 20 0 DFADRP CC[NH+](CC)C[C@H]1CCCC[C@H]1NC(=O)CCC1CC[NH2+]CC1 ZINC000262911656 535592526 /nfs/dbraw/zinc/59/25/26/535592526.db2.gz FTKIFLIKIISKPP-QZTJIDSGSA-N 2 0 323.525 2.783 20 0 DFADRP CCOc1ccc(C(C)=O)cc1C[N@@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000358517849 535710531 /nfs/dbraw/zinc/71/05/31/535710531.db2.gz PRFPTQGFBIMLAC-UHFFFAOYSA-N 2 0 316.445 2.863 20 0 DFADRP CC[NH+]1CCN([C@H](C)C[NH2+][C@H](C)CCCC(F)(F)F)CC1 ZINC000359667299 535740766 /nfs/dbraw/zinc/74/07/66/535740766.db2.gz ZXNSYWDEQWEWPA-ZIAGYGMSSA-N 2 0 309.420 2.723 20 0 DFADRP CC[N@H+](C[C@@H]1CC[NH+](Cc2ccccc2)C1)CC1CC[NH2+]CC1 ZINC000261640531 535772469 /nfs/dbraw/zinc/77/24/69/535772469.db2.gz FOUXFHNEXKBMHE-FQEVSTJZSA-N 3 0 315.505 2.830 20 0 DFADRP C[NH+](C)Cc1cccc(C(=O)Nc2cccc3c2C[NH2+]CC3)c1 ZINC000367499101 536029131 /nfs/dbraw/zinc/02/91/31/536029131.db2.gz ZLPFSMYODQDQOU-UHFFFAOYSA-N 2 0 309.413 2.646 20 0 DFADRP C[N@H+](CCNC1CC[NH+](Cc2ccccn2)CC1)C1CCCC1 ZINC000361182900 536386721 /nfs/dbraw/zinc/38/67/21/536386721.db2.gz JVFOYWFXVXYEFS-UHFFFAOYSA-N 2 0 316.493 2.510 20 0 DFADRP OC[C@@H]1CN(Cc2ccccc2)CC[C@@H]1[NH2+]C1CC(C(F)F)C1 ZINC000681091084 545595674 /nfs/dbraw/zinc/59/56/74/545595674.db2.gz XGNMXDZVYPLJIE-XGHPGWEVSA-N 2 0 324.415 2.503 20 0 DFADRP c1ccc2c(c1)CC[C@@H]2[NH+]1CCC(C[NH+]2CCOCC2)CC1 ZINC000681663031 545694654 /nfs/dbraw/zinc/69/46/54/545694654.db2.gz QYELIDPKLPZTDR-IBGZPJMESA-N 2 0 300.446 2.718 20 0 DFADRP C[NH+]1CCN(C(C)(C)C[NH2+][C@@H]2CC[C@H](c3ccccc3)C2)CC1 ZINC000681972190 545763541 /nfs/dbraw/zinc/76/35/41/545763541.db2.gz ULFQUIIWTVBOFN-RBUKOAKNSA-N 2 0 315.505 2.938 20 0 DFADRP c1ccc(N2C[C@@H]3C[NH+](CCC[NH+]4CCCCC4)C[C@H]3C2)cc1 ZINC000682027659 545778138 /nfs/dbraw/zinc/77/81/38/545778138.db2.gz GDNXELPXWVSFPT-OALUTQOASA-N 2 0 313.489 2.931 20 0 DFADRP C[C@H](O)C[NH+]1CCC(C[N@H+](C)[C@H]2CCc3ccccc32)CC1 ZINC000682073663 545788747 /nfs/dbraw/zinc/78/87/47/545788747.db2.gz VRAHBIDAEGEJBS-KXBFYZLASA-N 2 0 302.462 2.699 20 0 DFADRP O[C@H](C[NH+]1CCC(C[NH+]2CCCCCC2)CC1)CC(F)(F)F ZINC000682518238 545866744 /nfs/dbraw/zinc/86/67/44/545866744.db2.gz IVBAWTCTVHABFJ-HNNXBMFYSA-N 2 0 322.415 2.888 20 0 DFADRP C[C@@H]([NH2+]CC(C)(C)N1CC[NH+](C)CC1)C1CCC(F)(F)CC1 ZINC000682732639 545907107 /nfs/dbraw/zinc/90/71/07/545907107.db2.gz JENWNQFMRYPLTG-CQSZACIVSA-N 2 0 317.468 2.816 20 0 DFADRP C[N@@H+]1CCCN(CCC[NH2+]Cc2ccsc2Cl)CC1 ZINC000682941191 545945162 /nfs/dbraw/zinc/94/51/62/545945162.db2.gz XKAJTUWLJPGWOF-UHFFFAOYSA-N 2 0 301.887 2.519 20 0 DFADRP Cc1ccnc(C[NH+]2CCC(CCC[NH+]3CCOCC3)CC2)c1 ZINC000683022142 545961243 /nfs/dbraw/zinc/96/12/43/545961243.db2.gz QZMWPHPJQFAQGL-UHFFFAOYSA-N 2 0 317.477 2.714 20 0 DFADRP C[NH+]1CCN(C(C)(C)C[NH2+][C@H]2CS[C@@H](C(C)(C)C)C2)CC1 ZINC000683111427 545973410 /nfs/dbraw/zinc/97/34/10/545973410.db2.gz XOAUVIZIXMCYCR-HUUCEWRRSA-N 2 0 313.555 2.522 20 0 DFADRP CC[C@@H]1CN(C(=O)C(C)C)CC[C@@H]1[NH2+]CCC[NH+](CC)CC ZINC000683142345 545979701 /nfs/dbraw/zinc/97/97/01/545979701.db2.gz PJTGWZDBWXCMGA-SJORKVTESA-N 2 0 311.514 2.591 20 0 DFADRP C[NH+]1CCN(C[C@H]([NH2+]CC2(C)CCC2)c2ccccc2)CC1 ZINC000683703190 546079040 /nfs/dbraw/zinc/07/90/40/546079040.db2.gz LHYDVMNCYUPKOL-SFHVURJKSA-N 2 0 301.478 2.755 20 0 DFADRP COCCC[NH+]1CCC([NH2+]Cc2cc3ccccc3[nH]2)CC1 ZINC000683926557 546122144 /nfs/dbraw/zinc/12/21/44/546122144.db2.gz ATYJTLUTUHOVNI-UHFFFAOYSA-N 2 0 301.434 2.758 20 0 DFADRP CC[C@@H](C[NH+]1CCCC1)NC(=O)CC[N@H+](C)C1CCCCC1 ZINC000684162636 546161139 /nfs/dbraw/zinc/16/11/39/546161139.db2.gz AVNAUIWRXWQOPH-INIZCTEOSA-N 2 0 309.498 2.632 20 0 DFADRP C[NH+](C)[C@]1(CNc2cc[nH+]c3c(O)cccc23)CCSC1 ZINC000684576147 546246505 /nfs/dbraw/zinc/24/65/05/546246505.db2.gz HPSAMWVWFXXASV-INIZCTEOSA-N 2 0 303.431 2.790 20 0 DFADRP C[C@@H]1CC(C[NH2+]Cc2ccc(OCC[NH+](C)C)cc2)C[C@@H](C)O1 ZINC000684931834 546304478 /nfs/dbraw/zinc/30/44/78/546304478.db2.gz YBRAZXACTXAWAM-HZPDHXFCSA-N 2 0 320.477 2.920 20 0 DFADRP CC[NH+](CC)Cc1ccc(C(=O)N(C)CCC[NH+]2CCCC2)o1 ZINC000684987042 546314051 /nfs/dbraw/zinc/31/40/51/546314051.db2.gz MDGQGDGCMQZTDO-UHFFFAOYSA-N 2 0 321.465 2.679 20 0 DFADRP Cc1ccc(C[N@@H+](C)[C@@H]2CCN(C3CC[NH+](C)CC3)C2)cc1F ZINC000685457264 546353159 /nfs/dbraw/zinc/35/31/59/546353159.db2.gz RDQQRZUTIWKYDI-GOSISDBHSA-N 2 0 319.468 2.734 20 0 DFADRP C[C@H]([NH2+]C[C@@]1(C)OCCc2sccc21)C1CC[NH+](C)CC1 ZINC000685661910 546383567 /nfs/dbraw/zinc/38/35/67/546383567.db2.gz FLXGMHSICIYHDM-SUMWQHHRSA-N 2 0 308.491 2.856 20 0 DFADRP CC(C)(C)c1ccc(CC[NH2+]C[C@@H](O)C[NH+]2CCCCC2)cc1 ZINC000685840486 546397441 /nfs/dbraw/zinc/39/74/41/546397441.db2.gz WWOOIIBRYLIZGU-LJQANCHMSA-N 2 0 318.505 2.963 20 0 DFADRP COCCOc1ccccc1C[NH2+]CC1CC[NH+](C2CC2)CC1 ZINC000278507289 214198189 /nfs/dbraw/zinc/19/81/89/214198189.db2.gz PCAAWAGPIHIONU-UHFFFAOYSA-N 2 0 318.461 2.676 20 0 DFADRP COC[C@H](Cc1ccccc1)[NH2+]CC1CC[NH+](C2CC2)CC1 ZINC000278558907 214237453 /nfs/dbraw/zinc/23/74/53/214237453.db2.gz WJGBQJKHRXGBIB-SFHVURJKSA-N 2 0 302.462 2.708 20 0 DFADRP Cc1cc([C@H](C)[NH2+]C[C@@H](C(C)C)N2CC[NH+](C)CC2)c(C)o1 ZINC000315227395 231138409 /nfs/dbraw/zinc/13/84/09/231138409.db2.gz LKRXKSCJFDKYBS-YJBOKZPZSA-N 2 0 307.482 2.819 20 0 DFADRP C[C@H]([NH3+])[C@H]1CCC[N@H+](CCCc2nc(-c3cccs3)no2)C1 ZINC000315340162 231140347 /nfs/dbraw/zinc/14/03/47/231140347.db2.gz FQDLBMXAYHBWNU-STQMWFEESA-N 2 0 320.462 2.790 20 0 DFADRP C[NH+](C)CCOc1ccccc1C[NH2+][C@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000278747793 214372524 /nfs/dbraw/zinc/37/25/24/214372524.db2.gz NTCONNGTCNCNPF-SZMVWBNQSA-N 2 0 318.461 2.530 20 0 DFADRP COc1cccc2cc([C@H](C)[NH2+]CCOCC[NH+](C)C)oc21 ZINC000318826771 231175624 /nfs/dbraw/zinc/17/56/24/231175624.db2.gz KSBRPLFSTVRQHK-ZDUSSCGKSA-N 2 0 306.406 2.670 20 0 DFADRP C[C@@H]1C[N@H+](C)CC[C@@H]1NC1CC[NH+](CCc2ccccc2)CC1 ZINC000323623273 231217764 /nfs/dbraw/zinc/21/77/64/231217764.db2.gz DCDZKBSMMSABNN-XLIONFOSSA-N 2 0 315.505 2.623 20 0 DFADRP [NH3+][C@H]1CCC[C@@H]([NH2+]CCc2ccc(Br)s2)C1 ZINC000226359693 398350947 /nfs/dbraw/zinc/35/09/47/398350947.db2.gz WITBCGYVHNMSDH-VHSXEESVSA-N 2 0 303.269 2.913 20 0 DFADRP CS[C@H]1CN(c2[nH+]ccc3[nH]ccc32)C[C@H]1[NH+]1CCCC1 ZINC000596195875 398354471 /nfs/dbraw/zinc/35/44/71/398354471.db2.gz PIKZRAVIKLHQGJ-CABCVRRESA-N 2 0 302.447 2.579 20 0 DFADRP CNC(=O)c1ccc(C[NH+]2CCC(C[N@H+](C)C(C)C)CC2)cc1 ZINC000596200032 398355231 /nfs/dbraw/zinc/35/52/31/398355231.db2.gz RCJMWPFDCYABQV-UHFFFAOYSA-N 2 0 317.477 2.598 20 0 DFADRP CC(C)C[C@@H](C[NH+](C)C)NC(=O)CC[C@@H]([NH3+])c1ccccc1 ZINC000236754150 398364569 /nfs/dbraw/zinc/36/45/69/398364569.db2.gz HFXKTWMOHYGHHQ-DLBZAZTESA-N 2 0 305.466 2.559 20 0 DFADRP CC[N@H+](Cc1ccc(C(=O)N2CC[C@@H]([NH3+])C[C@@H]2C)cc1)C(C)C ZINC000236994023 398365939 /nfs/dbraw/zinc/36/59/39/398365939.db2.gz VPGNHBUCYCDXBD-MAUKXSAKSA-N 2 0 317.477 2.869 20 0 DFADRP C[C@H]1CCCC[C@H]1[NH2+]C[C@@H](O)CN1CCc2ccccc2C1 ZINC000237558412 398371920 /nfs/dbraw/zinc/37/19/20/398371920.db2.gz VUCNCAPJBPSMBK-KFKAGJAMSA-N 2 0 302.462 2.574 20 0 DFADRP CC[C@@H](C)C[NH+]1CCN(CC[N@H+](C)Cc2ccccc2)CC1 ZINC000088506488 185254473 /nfs/dbraw/zinc/25/44/73/185254473.db2.gz FOVYETURPSZJMF-GOSISDBHSA-N 2 0 303.494 2.782 20 0 DFADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC1CC[NH+](C2CC2)CC1 ZINC000088671272 185262032 /nfs/dbraw/zinc/26/20/32/185262032.db2.gz COMDGJBEGOKPLN-UZLBHIALSA-N 2 0 313.489 2.723 20 0 DFADRP [NH3+]C[C@@H]1CCCN(C(=O)c2ccc(Nc3cc[nH+]cc3)cc2)C1 ZINC000238086068 398376831 /nfs/dbraw/zinc/37/68/31/398376831.db2.gz KQSWEJTZVVHCNG-AWEZNQCLSA-N 2 0 310.401 2.636 20 0 DFADRP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@@H+]2CCCCC(F)(F)F ZINC000378244672 282215829 /nfs/dbraw/zinc/21/58/29/282215829.db2.gz QNYUTQUZOBHJRL-MCIONIFRSA-N 2 0 308.388 2.903 20 0 DFADRP CC[C@H]([NH2+]Cc1ccc(C(=O)NCC[NH+](C)C)cc1)C(C)C ZINC000090038769 185279380 /nfs/dbraw/zinc/27/93/80/185279380.db2.gz ICUFQZYOKPGWOU-KRWDZBQOSA-N 2 0 305.466 2.502 20 0 DFADRP CCO[C@@H]1C[C@@H]([NH2+]CCCC[NH+]2CCC(C)CC2)[C@H]1SC ZINC000459373983 299090447 /nfs/dbraw/zinc/09/04/47/299090447.db2.gz LGQFADOPGJCTEM-BRWVUGGUSA-N 2 0 314.539 2.997 20 0 DFADRP C[C@@H]1CCC[C@H](C[NH2+]Cc2ccc(N3CC[NH+](C)CC3)nc2)C1 ZINC000092560620 185325654 /nfs/dbraw/zinc/32/56/54/185325654.db2.gz CNKMVQPITUYNOP-SJORKVTESA-N 2 0 316.493 2.749 20 0 DFADRP C[C@H]([NH2+]C(C)(C)CNC(=O)[C@H]1CCC[C@H]([NH3+])C1)c1ccccc1 ZINC000167619272 197711152 /nfs/dbraw/zinc/71/11/52/197711152.db2.gz UAGVIAFIGMEPAQ-XIRDDKMYSA-N 2 0 317.477 2.750 20 0 DFADRP C[C@H]([NH2+]Cc1ccc(CN2CC[NH+](C)CC2)cc1)c1cccnc1 ZINC000092740060 185337853 /nfs/dbraw/zinc/33/78/53/185337853.db2.gz WJIBNPDORHZGLD-KRWDZBQOSA-N 2 0 324.472 2.680 20 0 DFADRP CCC[NH+]1CCC(C[NH2+][C@@H]2C[C@@H](OCC)[C@@H]2SC)CC1 ZINC000459405395 299098223 /nfs/dbraw/zinc/09/82/23/299098223.db2.gz KATCRRQHHSOXAZ-BZUAXINKSA-N 2 0 300.512 2.607 20 0 DFADRP CCn1nc(C)c(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)c1C ZINC000584714894 398401397 /nfs/dbraw/zinc/40/13/97/398401397.db2.gz MKEVWDQPSXJYRP-KBAYOESNSA-N 2 0 304.482 2.920 20 0 DFADRP CC[C@H]([NH2+]Cc1ccccc1C[N@@H+]1CCC[C@H]1CO)C1CC1 ZINC000272782531 210187604 /nfs/dbraw/zinc/18/76/04/210187604.db2.gz WDRJGSSZQQBYOM-OALUTQOASA-N 2 0 302.462 2.922 20 0 DFADRP CC[NH+](CC)[C@H](C(=O)NCC(C)(C)[NH+](C)C)c1ccccc1 ZINC000067245574 398424709 /nfs/dbraw/zinc/42/47/09/398424709.db2.gz JNUSRXFGRIJQCL-INIZCTEOSA-N 2 0 305.466 2.526 20 0 DFADRP CCOC(=O)c1ccc(C[N@@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)o1 ZINC000592433626 398425758 /nfs/dbraw/zinc/42/57/58/398425758.db2.gz MOCJTZCNCLQNFW-GJZGRUSLSA-N 2 0 320.433 2.668 20 0 DFADRP C[NH2+]C[C@H](C)C(=O)NCC1([NH2+][C@@H](C)c2ccccc2)CCCC1 ZINC000168664365 290706332 /nfs/dbraw/zinc/70/63/32/290706332.db2.gz GGGNOIMKYATRHE-HOTGVXAUSA-N 2 0 317.477 2.622 20 0 DFADRP COCCC[NH2+][C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000183125166 199541090 /nfs/dbraw/zinc/54/10/90/199541090.db2.gz MGILUHUJROSGMX-GBESFXJTSA-N 2 0 302.462 2.913 20 0 DFADRP CC[C@H]1C[N@H+](Cc2ccc3oc(C(=O)OC)cc3c2)CC[C@H]1[NH3+] ZINC000592489436 398432788 /nfs/dbraw/zinc/43/27/88/398432788.db2.gz VUGWWOJKGQKCIW-DZGCQCFKSA-N 2 0 316.401 2.779 20 0 DFADRP C[C@@H](CC(=O)NCCCC[N@@H+]1CCCC[C@H]1C)C1CC[NH2+]CC1 ZINC000262630124 398432878 /nfs/dbraw/zinc/43/28/78/398432878.db2.gz GXDQLOSBYPEODN-DLBZAZTESA-N 2 0 323.525 2.783 20 0 DFADRP COC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2[N@@H+]1CCCC1CC[NH2+]CC1 ZINC000592493585 398433662 /nfs/dbraw/zinc/43/36/62/398433662.db2.gz XDBHXNQFVRYGGJ-IKGGRYGDSA-N 2 0 308.466 2.572 20 0 DFADRP CCOC(=O)[C@]1(C(C)C)CC[N@H+](CCCC2CC[NH2+]CC2)C1 ZINC000592495650 398433688 /nfs/dbraw/zinc/43/36/88/398433688.db2.gz PIUFVCLFCGKWBB-GOSISDBHSA-N 2 0 310.482 2.677 20 0 DFADRP COC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2[N@@H+]1CCCC1CC[NH2+]CC1 ZINC000592493583 398433921 /nfs/dbraw/zinc/43/39/21/398433921.db2.gz XDBHXNQFVRYGGJ-BBWFWOEESA-N 2 0 308.466 2.572 20 0 DFADRP C[N@@H+]1CCC[C@@H]1C(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC000299510258 530056426 /nfs/dbraw/zinc/05/64/26/530056426.db2.gz MKQLHQAWAXZHPI-GOSISDBHSA-N 2 0 315.461 2.748 20 0 DFADRP C[C@H]1CCC[N@H+](CCNC(=O)Nc2cccc(C[NH+](C)C)c2)C1 ZINC000046381203 282376751 /nfs/dbraw/zinc/37/67/51/282376751.db2.gz WBWJPBGEXZJHHH-HNNXBMFYSA-N 2 0 318.465 2.602 20 0 DFADRP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]CCc1nc(-c2ccccn2)cs1 ZINC000090044349 398474703 /nfs/dbraw/zinc/47/47/03/398474703.db2.gz PYIWJSCQHPEAFU-KGLIPLIRSA-N 2 0 316.474 2.677 20 0 DFADRP CCc1ccc(C[NH2+]C[C@@H](C(C)C)N2CC[NH+](C)CC2)s1 ZINC000051718662 282398192 /nfs/dbraw/zinc/39/81/92/282398192.db2.gz PJVIRSUTTXYWTA-KRWDZBQOSA-N 2 0 309.523 2.672 20 0 DFADRP CO[C@H](CC[NH2+]C1CCN(c2cc[nH+]cc2)CC1)C(F)(F)F ZINC000459495343 299120977 /nfs/dbraw/zinc/12/09/77/299120977.db2.gz LVGNGGFWSJMMMF-CQSZACIVSA-N 2 0 317.355 2.607 20 0 DFADRP C[C@H]([NH2+]C1CCC(O)CC1)c1cccc(OCC[NH+](C)C)c1 ZINC000090800316 398492545 /nfs/dbraw/zinc/49/25/45/398492545.db2.gz IPBJGPSJTRKDBD-OOHWJJMZSA-N 2 0 306.450 2.581 20 0 DFADRP C[C@H](CC[NH+](C)C)N[C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272690135 210095265 /nfs/dbraw/zinc/09/52/65/210095265.db2.gz VOWCSDBGUZZXBK-ZIFCJYIRSA-N 2 0 303.494 2.827 20 0 DFADRP C[N@H+](CCCN1CC[NH+](C)CC1)Cc1ccc(C2CC2)cc1 ZINC000459555950 299132218 /nfs/dbraw/zinc/13/22/18/299132218.db2.gz HCXYMRFEMLSZSV-UHFFFAOYSA-N 2 0 301.478 2.633 20 0 DFADRP COc1ccc(C[NH2+]C[C@@H]2CCC[N@H+](C)C2)cc1OC(F)F ZINC000068722691 398522404 /nfs/dbraw/zinc/52/24/04/398522404.db2.gz VZAXZKFHDNDWCQ-ZDUSSCGKSA-N 2 0 314.376 2.728 20 0 DFADRP COCCC[NH+]1CCC([NH2+][C@@H](c2cccnc2)C(C)C)CC1 ZINC000091317672 398526802 /nfs/dbraw/zinc/52/68/02/398526802.db2.gz MDAXLUVENTWSRJ-GOSISDBHSA-N 2 0 305.466 2.869 20 0 DFADRP C[C@@H](C[NH+](C)C)N[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000286880283 219206730 /nfs/dbraw/zinc/20/67/30/219206730.db2.gz CJYILLYTKWUTLQ-KANFNMMFSA-N 2 0 301.478 2.722 20 0 DFADRP CC1CC[NH+](CCc2cccc(NC(=O)[C@@H]3CCC[NH2+]3)c2)CC1 ZINC000272647437 210052053 /nfs/dbraw/zinc/05/20/53/210052053.db2.gz ZSRWBSGYZSSKGU-SFHVURJKSA-N 2 0 315.461 2.652 20 0 DFADRP CC[NH+]1CCN(CCC[NH2+][C@H](C)c2ccc(OC)cc2C)CC1 ZINC000414077863 295764472 /nfs/dbraw/zinc/76/44/72/295764472.db2.gz ZMTRNRBJUQSMAO-QGZVFWFLSA-N 2 0 319.493 2.682 20 0 DFADRP O[C@@H]1CCC[C@H]1[NH2+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000459585277 299141639 /nfs/dbraw/zinc/14/16/39/299141639.db2.gz JVWBDDBYYAZUDJ-LASHMREHSA-N 2 0 314.473 2.790 20 0 DFADRP CC1(C)C[C@@H](C[NH2+]C2CCN(c3cc[nH+]cc3)CC2)CCO1 ZINC000459595426 299143934 /nfs/dbraw/zinc/14/39/34/299143934.db2.gz MTGPUCDPMKOCLQ-HNNXBMFYSA-N 2 0 303.450 2.845 20 0 DFADRP COc1cccc(C[NH2+]CC2(SC)CC[NH+](C)CC2)c1F ZINC000589326009 398545715 /nfs/dbraw/zinc/54/57/15/398545715.db2.gz CEJBXUSBIJEVBI-UHFFFAOYSA-N 2 0 312.454 2.751 20 0 DFADRP C[C@H](CC[NH+](C)C)N[C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]12 ZINC000272581194 210001313 /nfs/dbraw/zinc/00/13/13/210001313.db2.gz QOXDGPQYVLYHDI-VBSBHUPXSA-N 2 0 315.505 2.827 20 0 DFADRP [NH3+][C@@H](CNC1CC[NH+](Cc2ccccc2)CC1)c1ccccc1 ZINC000035323236 398551281 /nfs/dbraw/zinc/55/12/81/398551281.db2.gz YEAUPUGLWQWBBE-FQEVSTJZSA-N 2 0 309.457 2.941 20 0 DFADRP CC[NH+](CC)Cc1ccccc1CNC(=O)C[C@H]1CCC[NH2+]C1 ZINC000321241635 398551385 /nfs/dbraw/zinc/55/13/85/398551385.db2.gz ONGFKBDLXBSJCO-MRXNPFEDSA-N 2 0 317.477 2.534 20 0 DFADRP COC(=O)c1ccc(C[NH2+]C2CCC(C[NH+](C)C)CC2)cc1F ZINC000597063459 398560371 /nfs/dbraw/zinc/56/03/71/398560371.db2.gz IXFGLBISTNDUAG-UHFFFAOYSA-N 2 0 322.424 2.822 20 0 DFADRP Cn1cc(-c2cccc(C[N@H+](C)C[C@H]3CCC[NH+](C)C3)c2)cn1 ZINC000092253828 398564270 /nfs/dbraw/zinc/56/42/70/398564270.db2.gz NUFWLRBILBBAHX-KRWDZBQOSA-N 2 0 312.461 2.861 20 0 DFADRP Cn1cc(-c2cccc(C[N@H+](C)C[C@@H]3CCC[NH+](C)C3)c2)cn1 ZINC000092253827 398564884 /nfs/dbraw/zinc/56/48/84/398564884.db2.gz NUFWLRBILBBAHX-QGZVFWFLSA-N 2 0 312.461 2.861 20 0 DFADRP Cc1occc1C[NH2+]CCc1ccc(OCC[NH+](C)C)cc1 ZINC000414337028 295789236 /nfs/dbraw/zinc/78/92/36/295789236.db2.gz PQRNOTJROKFZMR-UHFFFAOYSA-N 2 0 302.418 2.861 20 0 DFADRP C[C@@]1(C[NH2+]Cc2ccc(Br)s2)CCC[NH2+]C1 ZINC000070600502 190907998 /nfs/dbraw/zinc/90/79/98/190907998.db2.gz SCTZPEJUXMUNIB-GFCCVEGCSA-N 2 0 303.269 2.990 20 0 DFADRP CSC1(C[NH2+]Cc2ccc(C[N@@H+]3CC[C@@H](O)C3)cc2)CCC1 ZINC000597186121 398585297 /nfs/dbraw/zinc/58/52/97/398585297.db2.gz FJFVUYPTTQUOJF-QGZVFWFLSA-N 2 0 320.502 2.629 20 0 DFADRP CN(Cc1ccccc1)C[C@H](O)C[N@H+](C)CC1CCCCC1 ZINC000590125650 398598509 /nfs/dbraw/zinc/59/85/09/398598509.db2.gz ZKAGWSHGHBLIBX-IBGZPJMESA-N 2 0 304.478 2.991 20 0 DFADRP C[NH+](C)C[C@H](N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccc(F)cc1 ZINC000287149289 219344323 /nfs/dbraw/zinc/34/43/23/219344323.db2.gz SRHRVTAQEBAUFN-KURKYZTESA-N 2 0 305.441 2.645 20 0 DFADRP C[C@@H]([NH2+]CC(C)(C)N(C)C)c1cccc(OCC[NH+](C)C)c1 ZINC000152603529 186089123 /nfs/dbraw/zinc/08/91/23/186089123.db2.gz UAJOQWNCZVIPEF-OAHLLOKOSA-N 2 0 307.482 2.618 20 0 DFADRP C[C@H]1C[C@H]([NH2+]CC(C)(C)N2CCc3ccccc3C2)CC[N@@H+]1C ZINC000155663844 186100612 /nfs/dbraw/zinc/10/06/12/186100612.db2.gz CCBQFJKZWRUCTL-QFBILLFUSA-N 2 0 315.505 2.896 20 0 DFADRP CSC[C@@H]1CCC[N@@H+]1Cc1ccc(OCC[NH+](C)C)cc1 ZINC000093760723 398643389 /nfs/dbraw/zinc/64/33/89/398643389.db2.gz SNOMAWCZZXMEKO-INIZCTEOSA-N 2 0 308.491 2.954 20 0 DFADRP C[C@H]1C[C@@H](C[NH+]2CCN(Cc3ccccc3Cl)CC2)CC[NH2+]1 ZINC000414672329 295814265 /nfs/dbraw/zinc/81/42/65/295814265.db2.gz HFJDCJUUMUMWET-HOTGVXAUSA-N 2 0 321.896 2.846 20 0 DFADRP Cn1cc(C[NH2+]CC[C@@H]2CCC[N@H+](C)C2)c(-c2ccccc2)n1 ZINC000459721011 299172394 /nfs/dbraw/zinc/17/23/94/299172394.db2.gz ACOFCOWRLOSQRZ-INIZCTEOSA-N 2 0 312.461 2.909 20 0 DFADRP C[C@@H](CC(=O)Nc1ccc(F)cc1)[NH2+]CC[C@@H]1CCC[N@H+](C)C1 ZINC000459726054 299174016 /nfs/dbraw/zinc/17/40/16/299174016.db2.gz GBLFDDMFNAQAEL-GJZGRUSLSA-N 2 0 321.440 2.864 20 0 DFADRP CC(C)(C)CC(=O)N1CCC([NH2+][C@@H]2CCCC[C@@H]2C[NH3+])CC1 ZINC000414804369 295820897 /nfs/dbraw/zinc/82/08/97/295820897.db2.gz OSIIFGZTRYAKLJ-GDBMZVCRSA-N 2 0 309.498 2.521 20 0 DFADRP C[C@@H]1C[C@@H]([NH2+]CC[C@H]2CCC[N@H+](C)C2)CN1Cc1ccccc1 ZINC000459734299 299176481 /nfs/dbraw/zinc/17/64/81/299176481.db2.gz OKTLQMQYOZWAIA-MISYRCLQSA-N 2 0 315.505 2.971 20 0 DFADRP COc1ccc(CC[C@H](C)[NH2+][C@@H](C)[C@H]2CCC[NH2+]C2)cc1O ZINC000414819119 295821641 /nfs/dbraw/zinc/82/16/41/295821641.db2.gz GSNUXLGHHAAOLP-DZKIICNBSA-N 2 0 306.450 2.700 20 0 DFADRP C[C@H]([NH3+])c1ccc(C[NH2+]C2CCN(Cc3ccncc3)CC2)cc1 ZINC000414813986 295821434 /nfs/dbraw/zinc/82/14/34/295821434.db2.gz UYISAHWWEXSIAC-INIZCTEOSA-N 2 0 324.472 2.856 20 0 DFADRP C[C@@H](CC(=O)Nc1cccc(Cl)c1)[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000414822245 295822255 /nfs/dbraw/zinc/82/22/55/295822255.db2.gz CLSIAWOZGLWIOJ-AEZOWIDVSA-N 2 0 321.852 2.930 20 0 DFADRP CCOc1cc(C[NH2+]C[C@H](C)C[NH2+]C)ccc1OC(F)F ZINC000414829111 295823228 /nfs/dbraw/zinc/82/32/28/295823228.db2.gz AOIPTWSTCKTBFU-LLVKDONJSA-N 2 0 302.365 2.632 20 0 DFADRP C[NH2+]C[C@@H](C)C[NH2+][C@@H](C)Cc1ccc(Br)c(F)c1 ZINC000414829874 295823383 /nfs/dbraw/zinc/82/33/83/295823383.db2.gz BOWVPIVVNKDZIA-MNOVXSKESA-N 2 0 317.246 2.964 20 0 DFADRP C[C@H](CCc1ccc2c(c1)OCO2)[NH2+]CC[C@H]1CCC[NH2+]C1 ZINC000414831291 295823701 /nfs/dbraw/zinc/82/37/01/295823701.db2.gz CVRIWXZOCDFWSZ-GDBMZVCRSA-N 2 0 304.434 2.716 20 0 DFADRP CCCCOc1cc(C[NH2+]C[C@H]2CCC[NH2+]C2)ccc1OC ZINC000414836221 295824270 /nfs/dbraw/zinc/82/42/70/295824270.db2.gz UPMXIRLIOBGTNK-INIZCTEOSA-N 2 0 306.450 2.963 20 0 DFADRP CC[NH+]1CCC(C[NH2+]Cc2cc3c(cc2OC)C[C@H](C)O3)CC1 ZINC000378929423 398657584 /nfs/dbraw/zinc/65/75/84/398657584.db2.gz WRCXONTUJOKLRV-AWEZNQCLSA-N 2 0 318.461 2.840 20 0 DFADRP C[NH2+]C[C@@H](C)C[NH2+][C@H](C)CC(=O)Nc1ccc(C)c(Cl)c1 ZINC000414842615 295825291 /nfs/dbraw/zinc/82/52/91/295825291.db2.gz PFMQSNAMIWMEON-DGCLKSJQSA-N 2 0 311.857 2.811 20 0 DFADRP C[NH2+]C[C@H](C)C[NH2+][C@H](C)CC(=O)Nc1cc(Cl)ccc1C ZINC000414838078 295824599 /nfs/dbraw/zinc/82/45/99/295824599.db2.gz KTFFURVBZYLWQE-WCQYABFASA-N 2 0 311.857 2.811 20 0 DFADRP Cn1cc(C[NH2+]CC[C@H]2CCC[NH2+]C2)c(C2CCCCC2)n1 ZINC000414838140 295824640 /nfs/dbraw/zinc/82/46/40/295824640.db2.gz KWWVVNUYGJWVKT-OAHLLOKOSA-N 2 0 304.482 2.947 20 0 DFADRP CCC[NH+]1CCC([N@H+](C)CCC(=O)Nc2ccccc2F)CC1 ZINC000171930396 198009704 /nfs/dbraw/zinc/00/97/04/198009704.db2.gz OBOFGRZFJWXOGR-UHFFFAOYSA-N 2 0 321.440 2.961 20 0 DFADRP Cc1ccc(NC(=O)C[C@H](C)[NH2+]CC[C@@H]2CC[NH2+]C2)c(C)c1 ZINC000414842194 295824963 /nfs/dbraw/zinc/82/49/63/295824963.db2.gz YSTBROPFKYYYPU-HOTGVXAUSA-N 2 0 303.450 2.610 20 0 DFADRP COc1ccc(C[C@@H](C)[NH2+]CC[C@@H]2CCC[NH2+]C2)cc1OC ZINC000414850086 295825795 /nfs/dbraw/zinc/82/57/95/295825795.db2.gz YRKWTFODBIWPKW-CABCVRRESA-N 2 0 306.450 2.614 20 0 DFADRP C[NH2+]C[C@@H](C)C[NH2+][C@@H](C)CC(=O)Nc1ccccc1C(C)C ZINC000414849734 295825804 /nfs/dbraw/zinc/82/58/04/295825804.db2.gz YLCDAJNYGLYTCU-CABCVRRESA-N 2 0 305.466 2.972 20 0 DFADRP Cc1cc(CN[C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]23)on1 ZINC000381769915 398659994 /nfs/dbraw/zinc/65/99/94/398659994.db2.gz QWGYFBLCIFVVDL-BHIYHBOVSA-N 2 0 311.429 2.983 20 0 DFADRP C[C@H](O)C[NH+]1CCC(C[N@H+](C)C[C@@H](C)c2ccccc2)CC1 ZINC000172014280 198026003 /nfs/dbraw/zinc/02/60/03/198026003.db2.gz CTAWEMPXJLOKGH-SJORKVTESA-N 2 0 304.478 2.815 20 0 DFADRP Fc1ccc(Cn2cc(C[NH2+]CC[C@@H]3CCC[NH2+]C3)cn2)cc1 ZINC000414846675 295825528 /nfs/dbraw/zinc/82/55/28/295825528.db2.gz UUURWWDQJHSNMH-HNNXBMFYSA-N 2 0 316.424 2.550 20 0 DFADRP CCc1ccccc1NC(=O)C[C@H](C)[NH2+][C@H](C)[C@H]1CCC[NH2+]C1 ZINC000414862413 295827792 /nfs/dbraw/zinc/82/77/92/295827792.db2.gz XOUPBYYPYSWFAA-UXLLHSPISA-N 2 0 317.477 2.944 20 0 DFADRP COc1ccc(C[NH2+]C[C@]2(C)CCC[NH2+]C2)cc1OC(F)F ZINC000414897341 295831663 /nfs/dbraw/zinc/83/16/63/295831663.db2.gz DQXHJEQGFRQPAM-MRXNPFEDSA-N 2 0 314.376 2.776 20 0 DFADRP C[C@H](CC(=O)Nc1cccc(Cl)c1)[NH2+]CC[C@H]1CCC[NH2+]1 ZINC000414910450 295833649 /nfs/dbraw/zinc/83/36/49/295833649.db2.gz VNGSBEQPNMHSLK-TZMCWYRMSA-N 2 0 309.841 2.789 20 0 DFADRP Cc1ccccc1NC(=O)C[C@H](C)[NH2+]CC1(C)CC[NH2+]CC1 ZINC000414904618 295832779 /nfs/dbraw/zinc/83/27/79/295832779.db2.gz NPJVQKZUMWZXBE-HNNXBMFYSA-N 2 0 303.450 2.691 20 0 DFADRP COc1ccc(C[NH2+]CC2(C)CC[NH2+]CC2)cc1OC(F)F ZINC000414903824 295832848 /nfs/dbraw/zinc/83/28/48/295832848.db2.gz MHHWOPBQKDJWLG-UHFFFAOYSA-N 2 0 314.376 2.776 20 0 DFADRP CC1(C[NH2+]Cc2cnc(-c3ccccn3)s2)CC[NH2+]CC1 ZINC000414912089 295834114 /nfs/dbraw/zinc/83/41/14/295834114.db2.gz UWBBQJVCVCZSTM-UHFFFAOYSA-N 2 0 302.447 2.684 20 0 DFADRP COc1ccc(C[NH2+][C@H]2CCC[NH2+]CC2)cc1Br ZINC000414918905 295834865 /nfs/dbraw/zinc/83/48/65/295834865.db2.gz SYMWGOOTKIGZCS-LBPRGKRZSA-N 2 0 313.239 2.689 20 0 DFADRP [NH3+][C@@H]1CCC[C@H]([NH2+]Cc2cccc(OCC(F)(F)F)c2)C1 ZINC000414929502 295836646 /nfs/dbraw/zinc/83/66/46/295836646.db2.gz RPIHFTIEPPURFN-OLZOCXBDSA-N 2 0 302.340 2.987 20 0 DFADRP C[C@H]1C[C@H]([NH2+]CC2CCN(c3ccccc3)CC2)CC[N@@H+]1C ZINC000280113133 215384905 /nfs/dbraw/zinc/38/49/05/215384905.db2.gz NSOPOFVARHSZHO-FUHWJXTLSA-N 2 0 301.478 2.975 20 0 DFADRP CC[C@H](Cc1ccc(OC)c(OC)c1)[NH2+][C@H]1CC[NH2+]C[C@@H]1C ZINC000414947227 295838842 /nfs/dbraw/zinc/83/88/42/295838842.db2.gz VSWWFHDFDMHZJM-IMJJTQAJSA-N 2 0 306.450 2.613 20 0 DFADRP C[C@@H](CCc1ccc2c(c1)OCO2)[NH2+]CCC[C@@H]1CCC[NH2+]1 ZINC000414964506 295841754 /nfs/dbraw/zinc/84/17/54/295841754.db2.gz MHSXWZKCNYOGBM-GOEBONIOSA-N 2 0 304.434 2.858 20 0 DFADRP CCC[C@H](C)NC(=O)[C@H](C)[NH+]1CCC(C[N@H+](C)C(C)C)CC1 ZINC000590786277 398674141 /nfs/dbraw/zinc/67/41/41/398674141.db2.gz LZPZEZLZIONIIP-HOTGVXAUSA-N 2 0 311.514 2.732 20 0 DFADRP COCC1(C[NH2+][C@@H]2CCC[C@H]2c2ccccc2)CC[NH2+]CC1 ZINC000414977123 295843440 /nfs/dbraw/zinc/84/34/40/295843440.db2.gz QOFPDMVAGAOPKD-ZWKOTPCHSA-N 2 0 302.462 2.929 20 0 DFADRP Cn1c(C[NH2+]CCC[C@H]2CCC[NH2+]2)nc2ccc(Cl)cc21 ZINC000414980448 295843674 /nfs/dbraw/zinc/84/36/74/295843674.db2.gz WYEJGEXQDNTMAK-ZDUSSCGKSA-N 2 0 306.841 2.849 20 0 DFADRP [NH3+][C@H]1CCC[C@H](C[NH2+]Cc2cnn(Cc3ccc(F)cc3)c2)C1 ZINC000414998525 295845667 /nfs/dbraw/zinc/84/56/67/295845667.db2.gz ICCKGDSMOOUTKT-YJBOKZPZSA-N 2 0 316.424 2.678 20 0 DFADRP COc1ccc(C[NH2+]C(C)(C)CCC[NH3+])c(Cl)c1OC ZINC000415006778 295846792 /nfs/dbraw/zinc/84/67/92/295846792.db2.gz AENYVKZJUFGRQS-UHFFFAOYSA-N 2 0 300.830 2.964 20 0 DFADRP CC[NH+](CC)C[C@H]1CC[N@H+](CCC(=O)Nc2ccccc2C)C1 ZINC000072803438 191232054 /nfs/dbraw/zinc/23/20/54/191232054.db2.gz ODORCZVJAFUDHB-QGZVFWFLSA-N 2 0 317.477 2.987 20 0 DFADRP COc1ccc(C[NH2+][C@@H](C)CCCC[NH3+])c(Cl)c1OC ZINC000415019416 295847894 /nfs/dbraw/zinc/84/78/94/295847894.db2.gz VUXYCSRBDKSWNU-NSHDSACASA-N 2 0 300.830 2.964 20 0 DFADRP Cc1ccccc1NC(=O)C[C@H](C)[NH2+]C[C@@H]1CCC[C@H]([NH3+])C1 ZINC000415012473 295847268 /nfs/dbraw/zinc/84/72/68/295847268.db2.gz XIEOAGQFSPGSFK-XHSDSOJGSA-N 2 0 303.450 2.819 20 0 DFADRP [NH3+][C@@H]1CCC[C@@H](C[NH2+]Cc2ncc(Br)s2)C1 ZINC000415013231 295847307 /nfs/dbraw/zinc/84/73/07/295847307.db2.gz YEWDTQAKFPFVIK-RKDXNWHRSA-N 2 0 304.257 2.513 20 0 DFADRP [NH3+]C[C@H]1CC[C@H]([NH2+]Cc2ccc(Br)c(F)c2)C1 ZINC000415027026 295848255 /nfs/dbraw/zinc/84/82/55/295848255.db2.gz AQQWKCUPEIWRJX-ONGXEEELSA-N 2 0 301.203 2.805 20 0 DFADRP [NH3+]C[C@H]1CC[C@@H]([NH2+]Cc2ccc(Br)cc2F)C1 ZINC000415029071 295848673 /nfs/dbraw/zinc/84/86/73/295848673.db2.gz DFMHYOQSEJOUHN-JOYOIKCWSA-N 2 0 301.203 2.805 20 0 DFADRP COc1c(Br)cccc1C[NH2+][C@@H]1CC[C@H](C[NH3+])C1 ZINC000415035570 295849520 /nfs/dbraw/zinc/84/95/20/295849520.db2.gz KWCHIHQLPZZNHB-CMPLNLGQSA-N 2 0 313.239 2.675 20 0 DFADRP [NH3+]C[C@H]1CC[C@H]([NH2+]Cc2ccc(F)cc2Br)C1 ZINC000415037028 295849647 /nfs/dbraw/zinc/84/96/47/295849647.db2.gz LWAHWROISRXADK-CABZTGNLSA-N 2 0 301.203 2.805 20 0 DFADRP COc1c(Br)cccc1C[NH2+][C@H]1CC[C@H](C[NH3+])C1 ZINC000415035571 295849276 /nfs/dbraw/zinc/84/92/76/295849276.db2.gz KWCHIHQLPZZNHB-JQWIXIFHSA-N 2 0 313.239 2.675 20 0 DFADRP COc1ccc(C[NH2+][C@H]2CC[C@H](C[NH3+])C2)cc1Br ZINC000415043408 295850629 /nfs/dbraw/zinc/85/06/29/295850629.db2.gz RWEVLOYEOAVEEK-JQWIXIFHSA-N 2 0 313.239 2.675 20 0 DFADRP COc1ccc(C[NH2+][C@H]2CC[C@@H](C[NH3+])C2)c(OC(F)F)c1 ZINC000415045803 295850898 /nfs/dbraw/zinc/85/08/98/295850898.db2.gz UJFYKFFRVOZENM-PWSUYJOCSA-N 2 0 300.349 2.514 20 0 DFADRP [NH3+]C[C@@H]1CC[C@H]([NH2+]Cc2cccc(OCC(F)(F)F)c2)C1 ZINC000415046853 295851022 /nfs/dbraw/zinc/85/10/22/295851022.db2.gz VKLRTNGSIIEZRY-YPMHNXCESA-N 2 0 302.340 2.845 20 0 DFADRP [NH3+]C[C@@H]1CC[C@@H]([NH2+]Cc2ccccc2OCC(F)(F)F)C1 ZINC000415050274 295851390 /nfs/dbraw/zinc/85/13/90/295851390.db2.gz YEUMMJURPJMNOT-DGCLKSJQSA-N 2 0 302.340 2.845 20 0 DFADRP CC(C)N(C)c1ccc(C[NH2+]CC[C@H]2CCC[N@H+](C)C2)cn1 ZINC000459795480 299195725 /nfs/dbraw/zinc/19/57/25/299195725.db2.gz VKJRTLZXIFMDMD-MRXNPFEDSA-N 2 0 304.482 2.748 20 0 DFADRP COc1ccc(CCC[NH2+]C[C@H]2CC[NH2+][C@@H](C)C2)cc1OC ZINC000415077790 295855233 /nfs/dbraw/zinc/85/52/33/295855233.db2.gz FLHWSISRPJAAHY-HOCLYGCPSA-N 2 0 306.450 2.614 20 0 DFADRP C[C@H]1C[C@H](C[NH2+]Cc2ccnc(OCC(F)(F)F)c2)CC[NH2+]1 ZINC000415077679 295855095 /nfs/dbraw/zinc/85/50/95/295855095.db2.gz HSXVXLHMPGQWDM-NWDGAFQWSA-N 2 0 317.355 2.500 20 0 DFADRP [NH3+]CC1CCC([NH2+][C@@H]2CCO[C@@H]2c2ccc(F)c(F)c2)CC1 ZINC000415082253 295855925 /nfs/dbraw/zinc/85/59/25/295855925.db2.gz CXTNMZJVLQKEQB-ZSEUIFFHSA-N 2 0 310.388 2.902 20 0 DFADRP COc1ccc(CC[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)cc1F ZINC000415087635 295856635 /nfs/dbraw/zinc/85/66/35/295856635.db2.gz WGYMMVXCXREZLI-USXIJHARSA-N 2 0 306.425 2.887 20 0 DFADRP c1ccc2c(c1)CCOC21CC[NH+](C[C@@H]2CCC[NH2+]C2)CC1 ZINC000415092763 295857123 /nfs/dbraw/zinc/85/71/23/295857123.db2.gz BFVCTUVPJHKAPG-MRXNPFEDSA-N 2 0 300.446 2.550 20 0 DFADRP COCc1cccc(C[NH+]2CCC([C@@H]3OCCC[C@H]3[NH3+])CC2)c1 ZINC000415106132 295858955 /nfs/dbraw/zinc/85/89/55/295858955.db2.gz JHNYPJZFNPJOGT-MOPGFXCFSA-N 2 0 318.461 2.551 20 0 DFADRP CC(C)OC(=O)C[C@@H]([NH2+]C1CCC([NH3+])CC1)c1ccccc1 ZINC000415105628 295858691 /nfs/dbraw/zinc/85/86/91/295858691.db2.gz MTQQDWGZMZCJJT-OFLPRAFFSA-N 2 0 304.434 2.929 20 0 DFADRP C[NH+](C)[C@@H]1CCC[N@H+](CCc2nc(-c3ccccc3)no2)CC1 ZINC000277114360 213302903 /nfs/dbraw/zinc/30/29/03/213302903.db2.gz HIFNSYSYMHBANS-MRXNPFEDSA-N 2 0 314.433 2.695 20 0 DFADRP [NH3+][C@H]1CCO[C@@H](C2CC[NH+](Cc3ccc(F)cc3F)CC2)C1 ZINC000415120309 295860963 /nfs/dbraw/zinc/86/09/63/295860963.db2.gz GLNIQNYZRVFRCP-DOTOQJQBSA-N 2 0 310.388 2.683 20 0 DFADRP CCCC[C@@H](COC)[NH2+]Cc1ccncc1OCCC[NH+](C)C ZINC000290450416 282909470 /nfs/dbraw/zinc/90/94/70/282909470.db2.gz VZKBDLZNEISWTM-KRWDZBQOSA-N 2 0 323.481 2.707 20 0 DFADRP CC[C@@H](c1ccc(F)cc1)[N@H+](C)CCCN1CC[NH+](C)CC1 ZINC000174727366 198376401 /nfs/dbraw/zinc/37/64/01/198376401.db2.gz ILMIAUSGJAMUGG-SFHVURJKSA-N 2 0 307.457 2.846 20 0 DFADRP CN(C(=O)c1ccc(Nc2cc[nH+]cc2)cc1)[C@H]1CCC[N@H+](C)C1 ZINC000073988486 398715913 /nfs/dbraw/zinc/71/59/13/398715913.db2.gz HPYHCFHBDKYRAI-SFHVURJKSA-N 2 0 324.428 2.991 20 0 DFADRP CCC[NH+]1CCC(N(C)C(=O)[C@H](C)[C@@H]([NH3+])c2ccccc2)CC1 ZINC000236774767 202003368 /nfs/dbraw/zinc/00/33/68/202003368.db2.gz JZVLRGCIBLVUTB-CRAIPNDOSA-N 2 0 317.477 2.655 20 0 DFADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]CCCN(C)c1ccccc1F ZINC000129100126 283002133 /nfs/dbraw/zinc/00/21/33/283002133.db2.gz FWQSPXCJQLFGCE-BFYDXBDKSA-N 2 0 307.457 2.970 20 0 DFADRP CC[N@@H+]1CC[C@@H]([NH2+]CCc2ccc(-n3cccn3)cc2)[C@H](C)C1 ZINC000129568240 283020792 /nfs/dbraw/zinc/02/07/92/283020792.db2.gz XWVLVHQHKVBVLR-VQIMIIECSA-N 2 0 312.461 2.735 20 0 DFADRP CC[NH+]1CCN([C@H](C)C[NH2+][C@@H]2CC[C@H](c3ccccc3)C2)CC1 ZINC000130495075 283050960 /nfs/dbraw/zinc/05/09/60/283050960.db2.gz JKEXUKSCNGBDNZ-YZGWKJHDSA-N 2 0 315.505 2.938 20 0 DFADRP CC(C)[C@@H]([NH3+])CCN(C)C(=O)Nc1ccccc1CC[NH+](C)C ZINC000415584394 295891893 /nfs/dbraw/zinc/89/18/93/295891893.db2.gz WMSUEXRLTXDXGI-INIZCTEOSA-N 2 0 320.481 2.628 20 0 DFADRP CCC[NH+]1CCC(N(C)C(=O)[C@H](C)[NH+]2CCCCCC2)CC1 ZINC000074227028 398733181 /nfs/dbraw/zinc/73/31/81/398733181.db2.gz RIJSPPCOGYXPLS-INIZCTEOSA-N 2 0 309.498 2.584 20 0 DFADRP CC[N@H+](CC(=O)NCc1ccccc1C[NH+](C)C(C)C)C1CC1 ZINC000131154420 283073669 /nfs/dbraw/zinc/07/36/69/283073669.db2.gz VEISSBGZNHJVLQ-UHFFFAOYSA-N 2 0 317.477 2.627 20 0 DFADRP C[NH+](C)C[C@H]1CCN(Cc2ncc(-c3ccc(F)cc3)o2)C1 ZINC000113514959 398739822 /nfs/dbraw/zinc/73/98/22/398739822.db2.gz VCXSVYGMYTUEIT-CYBMUJFWSA-N 2 0 303.381 2.864 20 0 DFADRP C[NH2+]Cc1ccccc1NC(=O)NCC[NH+]1[C@H](C)CCC[C@H]1C ZINC000415914081 295901444 /nfs/dbraw/zinc/90/14/44/295901444.db2.gz ULQKTDICCNWJGO-HUUCEWRRSA-N 2 0 318.465 2.790 20 0 DFADRP C[C@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](CCCc2cnn(C)c2)C1 ZINC000113934394 398742543 /nfs/dbraw/zinc/74/25/43/398742543.db2.gz SNKXFNKLYGGWDK-PKOBYXMFSA-N 2 0 318.509 2.939 20 0 DFADRP CC[NH2+]Cc1ccccc1NC(=O)N(CC[NH+](C)C)CC(C)C ZINC000415955467 295905998 /nfs/dbraw/zinc/90/59/98/295905998.db2.gz MZCNHLRZTSQYSC-UHFFFAOYSA-N 2 0 320.481 2.848 20 0 DFADRP CCN(CCC[NH+]1CCCC1)C(=O)Nc1ccc(C[NH2+]C)cc1 ZINC000416004289 295911045 /nfs/dbraw/zinc/91/10/45/295911045.db2.gz GORCFJVOCMVPDX-UHFFFAOYSA-N 2 0 318.465 2.746 20 0 DFADRP C[N@@H+]1CC[C@H]([NH2+]CCN2CCc3ccccc3C2)[C@@H]2CCC[C@@H]21 ZINC000367616180 283136518 /nfs/dbraw/zinc/13/65/18/283136518.db2.gz LKJJSPCPCXGCAU-UFYCRDLUSA-N 2 0 313.489 2.507 20 0 DFADRP CC[NH+](CC)[C@@H](CNC(=O)[C@@H]([NH3+])C(C)(C)C)c1ccsc1 ZINC000236826799 202028363 /nfs/dbraw/zinc/02/83/63/202028363.db2.gz DBIJHGIRONGSQK-UONOGXRCSA-N 2 0 311.495 2.621 20 0 DFADRP CCc1ccc([C@H](CN[C@@H]2CC[N@H+](C)C[C@@H]2C)[NH+](C)C)cc1 ZINC000133850823 283164468 /nfs/dbraw/zinc/16/44/68/283164468.db2.gz ZQUSJUIYOXUYFG-IPELMVKDSA-N 2 0 303.494 2.782 20 0 DFADRP CC(C)c1ccc(NC(=O)N(CC[NH+](C)C)CC[NH+](C)C)cc1 ZINC000119694097 398777871 /nfs/dbraw/zinc/77/78/71/398777871.db2.gz JFRRCMQIKMDRJE-UHFFFAOYSA-N 2 0 320.481 2.767 20 0 DFADRP CC[NH+](CC)[C@H](C(=O)NCC([NH3+])(CC)CC)c1ccccc1 ZINC000236864733 202043358 /nfs/dbraw/zinc/04/33/58/202043358.db2.gz UVRJMCJMKMOONQ-INIZCTEOSA-N 2 0 305.466 2.703 20 0 DFADRP CCC(CC)(CNC(=O)[C@H]1CC[NH2+]C1)[NH2+][C@H](C)c1ccccc1 ZINC000236869204 202044870 /nfs/dbraw/zinc/04/48/70/202044870.db2.gz RICXLRHMOONGHA-WBVHZDCISA-N 2 0 317.477 2.622 20 0 DFADRP CC[NH+](CC)[C@H](CNC(=O)[C@@]1(C)CCCC[NH2+]1)c1ccccc1 ZINC000236882625 202051643 /nfs/dbraw/zinc/05/16/43/202051643.db2.gz LFGSEQVVCJIWGC-IEBWSBKVSA-N 2 0 317.477 2.718 20 0 DFADRP CC[C@H](C)[C@@H]([NH3+])C(=O)Nc1cccc(C[NH+]2CCCCC2)c1 ZINC000236914835 202069020 /nfs/dbraw/zinc/06/90/20/202069020.db2.gz XURGSELJDOVYJV-WMLDXEAASA-N 2 0 303.450 2.984 20 0 DFADRP CC[NH+](CC)Cc1cccc(CNC(=O)[C@@H]([NH3+])CC(C)C)c1 ZINC000236905741 202063758 /nfs/dbraw/zinc/06/37/58/202063758.db2.gz GMCLELGOKOPKFN-KRWDZBQOSA-N 2 0 305.466 2.518 20 0 DFADRP CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)C2([NH3+])CCCCC2)C1 ZINC000236937979 202080704 /nfs/dbraw/zinc/08/07/04/202080704.db2.gz SMYQYYOINHQVEV-OAHLLOKOSA-N 2 0 309.498 2.665 20 0 DFADRP CC[NH+](CC)Cc1ccc(CNC(=O)[C@]2(C)CCC[NH2+]C2)cc1 ZINC000236918948 202069749 /nfs/dbraw/zinc/06/97/49/202069749.db2.gz HZWMQEUSPBHEMN-LJQANCHMSA-N 2 0 317.477 2.534 20 0 DFADRP CC[C@H](C)[C@H]([NH3+])C(=O)Nc1cccc(CC[NH+]2CCCC2)c1 ZINC000236930945 202077216 /nfs/dbraw/zinc/07/72/16/202077216.db2.gz UCWPVIZREFLWJN-YOEHRIQHSA-N 2 0 303.450 2.637 20 0 DFADRP CC[C@@H](C)[C@H]([NH3+])C(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000236988179 202111343 /nfs/dbraw/zinc/11/13/43/202111343.db2.gz WNSASFVPVYDXRX-CJNGLKHVSA-N 2 0 321.490 2.547 20 0 DFADRP CCC[NH+](CCC)CCCNC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2[NH2+]1 ZINC000236992274 202112596 /nfs/dbraw/zinc/11/25/96/202112596.db2.gz JJVUGLHLLYPQDE-IKGGRYGDSA-N 2 0 309.498 2.535 20 0 DFADRP CC[N@H+](Cc1ccc(C(=O)N2CCC[C@H]2C[NH2+]C)cc1)C(C)C ZINC000236993261 202112948 /nfs/dbraw/zinc/11/29/48/202112948.db2.gz ABOPHDYAVMFKRX-SFHVURJKSA-N 2 0 317.477 2.741 20 0 DFADRP CC[NH+](CC)[C@H](C)CNC(=O)C[C@H](c1ccccc1)[NH+](C)C ZINC000416218483 295931086 /nfs/dbraw/zinc/93/10/86/295931086.db2.gz RKRGEFVTYYXMEU-NVXWUHKLSA-N 2 0 305.466 2.526 20 0 DFADRP Cc1ccc(NC(=O)CC2C[C@H]3CC[C@@H](C2)[NH2+]3)c(C[NH+](C)C)c1 ZINC000237036356 202130340 /nfs/dbraw/zinc/13/03/40/202130340.db2.gz QXXDPEVKYUJERV-ZXFUBFMLSA-N 2 0 315.461 2.916 20 0 DFADRP CC[C@H](C)[C@@H]([NH3+])C(=O)NCC1([NH+]2CCCCC2)CCCCC1 ZINC000237062083 202138991 /nfs/dbraw/zinc/13/89/91/202138991.db2.gz KJWFDVSZOBUYSC-JKSUJKDBSA-N 2 0 309.498 2.665 20 0 DFADRP CCC[NH+](CCC)CCCC(=O)N1CCC2(CCC[N@@H+]2C)CC1 ZINC000371494242 283208834 /nfs/dbraw/zinc/20/88/34/283208834.db2.gz XUSBDEZPCLBHBK-UHFFFAOYSA-N 2 0 323.525 2.975 20 0 DFADRP CCC[NH+](CCC)CCCC(=O)N(C)[C@H]1CC[N@H+](C)C[C@@H]1C ZINC000126082942 283208962 /nfs/dbraw/zinc/20/89/62/283208962.db2.gz YZJAWRLVFUQBHU-IRXDYDNUSA-N 2 0 311.514 2.687 20 0 DFADRP CCC[N@H+](CCN1CC[NH+](CC)CC1)CC1(SC)CCC1 ZINC000356348663 283259796 /nfs/dbraw/zinc/25/97/96/283259796.db2.gz WHHUODVUTHRVPM-UHFFFAOYSA-N 2 0 313.555 2.622 20 0 DFADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1[NH2+]Cc1cccc(Cn2ccnc2)c1 ZINC000151330094 283281519 /nfs/dbraw/zinc/28/15/19/283281519.db2.gz WFKFVUFHWANSGD-GJYPPUQNSA-N 2 0 312.461 2.750 20 0 DFADRP COC[C@@H](Cc1ccccc1)[NH2+]C[C@@H](C)C[NH+]1CCCCC1 ZINC000125609732 398807902 /nfs/dbraw/zinc/80/79/02/398807902.db2.gz HZSUHYLYVNGATJ-IEBWSBKVSA-N 2 0 304.478 2.956 20 0 DFADRP Cc1ccc(C[C@@H]([NH2+]CC2CC[NH+](CCO)CC2)C(C)C)cc1 ZINC000151876178 283299856 /nfs/dbraw/zinc/29/98/56/283299856.db2.gz LELYHVYTJJVIDU-HXUWFJFHSA-N 2 0 318.505 2.856 20 0 DFADRP COC(=O)CCC[C@H]1CCC[C@@H]([NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)C1 ZINC000594512974 398813968 /nfs/dbraw/zinc/81/39/68/398813968.db2.gz ZCNVGUCKOREKHF-VQHPVUNQSA-N 2 0 310.482 2.818 20 0 DFADRP COC(=O)C[C@@H]1CC[C@H]([NH2+]C2CC(C)(C)[NH2+]C(C)(C)C2)[C@H]1C ZINC000354579107 291119675 /nfs/dbraw/zinc/11/96/75/291119675.db2.gz UECZTDNAXMKEKI-YDHLFZDLSA-N 2 0 310.482 2.863 20 0 DFADRP COC(=O)C[C@@H]1CC[C@H]([NH2+]CC2(C[NH+](C)C)CCCC2)[C@@H]1C ZINC000354621690 291120450 /nfs/dbraw/zinc/12/04/50/291120450.db2.gz ASORJDUIYTUKIN-PMPSAXMXSA-N 2 0 310.482 2.676 20 0 DFADRP COC(=O)c1cc(C[N@@H+]2CC[C@H](C3CC[NH+](C)CC3)C2)c(C)o1 ZINC000594606607 398830499 /nfs/dbraw/zinc/83/04/99/398830499.db2.gz JNIHSJNJDBWGJO-HNNXBMFYSA-N 2 0 320.433 2.538 20 0 DFADRP CC[C@@H]([NH3+])C(=O)NCC1([NH2+][C@@H](C)c2ccccc2)CCCC1 ZINC000130504757 398845791 /nfs/dbraw/zinc/84/57/91/398845791.db2.gz RUCALALMYOYLAG-GOEBONIOSA-N 2 0 303.450 2.504 20 0 DFADRP CC[C@@H]([NH3+])C(=O)NCC1([NH2+][C@H](C)c2ccccc2)CCCC1 ZINC000130504988 398845997 /nfs/dbraw/zinc/84/59/97/398845997.db2.gz RUCALALMYOYLAG-GDBMZVCRSA-N 2 0 303.450 2.504 20 0 DFADRP COC(=O)c1cccc(C[NH+]2CCC([C@H]3CCC[NH2+]C3)CC2)c1 ZINC000594734534 398851418 /nfs/dbraw/zinc/85/14/18/398851418.db2.gz AMPSSFSSYXZBBU-SFHVURJKSA-N 2 0 316.445 2.685 20 0 DFADRP CC(C)[NH+]1CCC([NH2+]CCCc2nc3ccccc3n2C)CC1 ZINC000180463202 199162448 /nfs/dbraw/zinc/16/24/48/199162448.db2.gz MZMIQXABXLTEBF-UHFFFAOYSA-N 2 0 314.477 2.968 20 0 DFADRP C[C@H]([NH2+]C[C@@H]1CC[C@H](O)C1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000276626481 213009197 /nfs/dbraw/zinc/00/91/97/213009197.db2.gz NBDHSZRDRBQWPE-NQYYFHDYSA-N 2 0 302.462 2.648 20 0 DFADRP C[C@H]([NH2+]CC1(C)CC[NH+](C)CC1)c1ccc(C(=O)N(C)C)cc1 ZINC000291995663 299278423 /nfs/dbraw/zinc/27/84/23/299278423.db2.gz AJTKPKYKLUAPFX-HNNXBMFYSA-N 2 0 317.477 2.771 20 0 DFADRP CCN1C[C@H]([NH2+]CCc2cccc(Br)c2)[C@@H](C)C1 ZINC000468508253 299279710 /nfs/dbraw/zinc/27/97/10/299279710.db2.gz XVDHNTZLGJRGAR-WFASDCNBSA-N 2 0 311.267 2.921 20 0 DFADRP Cc1ccc(CNCc2ccccc2C[N@@H+]2CCC[C@@H]2CO)o1 ZINC000180986360 199236741 /nfs/dbraw/zinc/23/67/41/199236741.db2.gz GQZNKBYAHDUEQM-GOSISDBHSA-N 2 0 314.429 2.835 20 0 DFADRP C[C@@H](C(=O)NC1CC[NH+](C(C)(C)C)CC1)[NH+]1CCCCCC1 ZINC000175562804 283407926 /nfs/dbraw/zinc/40/79/26/283407926.db2.gz GYHKRKYBAYJWTD-HNNXBMFYSA-N 2 0 309.498 2.630 20 0 DFADRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@@H](c1cccnc1)C1CCC1 ZINC000280947124 215983022 /nfs/dbraw/zinc/98/30/22/215983022.db2.gz SXGXHZRMSVYFQG-QZTJIDSGSA-N 2 0 305.466 2.869 20 0 DFADRP C[NH+]1CCC(O)(C[NH2+]Cc2cccc(OC3CCCC3)c2)CC1 ZINC000077450318 398904861 /nfs/dbraw/zinc/90/48/61/398904861.db2.gz QEHKFVIRRZAWIS-UHFFFAOYSA-N 2 0 318.461 2.554 20 0 DFADRP CC[N@@H+]1CC[C@@H]([NH+](C)CCc2ccccc2C(=O)OC)[C@H](C)C1 ZINC000187268958 200085524 /nfs/dbraw/zinc/08/55/24/200085524.db2.gz YJTHXAXCOWRMDH-CRAIPNDOSA-N 2 0 318.461 2.678 20 0 DFADRP CC[C@H]([NH2+]C1CCN(CC[NH+](C)C)CC1)c1cccc(F)c1 ZINC000187750597 200153037 /nfs/dbraw/zinc/15/30/37/200153037.db2.gz AAOLWGYQFWJTIM-SFHVURJKSA-N 2 0 307.457 2.892 20 0 DFADRP CC[C@@H]([NH2+]C[C@H](C)CN1CC[NH+](C)CC1)c1cccc(F)c1 ZINC000187955830 200182301 /nfs/dbraw/zinc/18/23/01/200182301.db2.gz KBSWCDIXNKQOBN-MAUKXSAKSA-N 2 0 307.457 2.750 20 0 DFADRP C[C@H]([NH2+]C[C@@H]1CCCC[N@H+](C)C1)c1ccc([S@](C)=O)cc1 ZINC000599072022 398917102 /nfs/dbraw/zinc/91/71/02/398917102.db2.gz WVFJNWYIZFSDTL-GXZWQRSESA-N 2 0 308.491 2.807 20 0 DFADRP CC[NH+](CC)[C@H](CNC(=O)c1coc(C[NH3+])c1)c1ccsc1 ZINC000188070835 200189912 /nfs/dbraw/zinc/18/99/12/200189912.db2.gz FAZXTKAFGSKZEJ-OAHLLOKOSA-N 2 0 321.446 2.613 20 0 DFADRP CC[NH+]1CCN([C@H]2CC[N@H+](Cc3cccc(SC)c3)C2)CC1 ZINC000595314678 398921142 /nfs/dbraw/zinc/92/11/42/398921142.db2.gz WAOWVJDKMWVXFA-KRWDZBQOSA-N 2 0 319.518 2.620 20 0 DFADRP C[C@H]1CCC[N@H+](Cc2ccc(NC(=O)[C@@]3(C)CC[NH2+]C3)cc2)C1 ZINC000237676214 202325090 /nfs/dbraw/zinc/32/50/90/202325090.db2.gz FGKBMJVVZRGPLT-KXBFYZLASA-N 2 0 315.461 2.857 20 0 DFADRP Cc1nccn1CC[N@H+]1CCN(c2cccc(F)c2)C[C@H]1C ZINC000292388600 223040985 /nfs/dbraw/zinc/04/09/85/223040985.db2.gz SADGZHWPMJFOGZ-CQSZACIVSA-N 2 0 302.397 2.541 20 0 DFADRP CN(C)C1(C[NH2+][C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]23)CC1 ZINC000417351452 296012899 /nfs/dbraw/zinc/01/28/99/296012899.db2.gz CPTZFKCDMIMEIG-GUDVDZBRSA-N 2 0 313.489 2.581 20 0 DFADRP Cc1cnc(C[N@@H+]2CCCC[C@@H]2[C@H](C[NH3+])Cc2ccccc2)cn1 ZINC000471831590 299309287 /nfs/dbraw/zinc/30/92/87/299309287.db2.gz FNJDUGDJKVJWKM-AZUAARDMSA-N 2 0 324.472 2.957 20 0 DFADRP CC[C@H]([NH2+]CC1=CC[N@H+](C)CC1)c1ccc2c(c1)OCCO2 ZINC000271896506 209305512 /nfs/dbraw/zinc/30/55/12/209305512.db2.gz UIGHZTWGCXPAJY-INIZCTEOSA-N 2 0 302.418 2.760 20 0 DFADRP CC(C)[C@H]1CC[C@@H](C)C[C@@H]1[NH2+]C[C@H](C)CN1CC[NH+](C)CC1 ZINC000246874448 283642543 /nfs/dbraw/zinc/64/25/43/283642543.db2.gz CUAVTHDTBPMTMP-HCXYKTFWSA-N 2 0 309.542 2.920 20 0 DFADRP C[C@H](C(=O)N1C[C@H](C)C[C@@H](C)C1)[NH+]1CCC(CC[NH+](C)C)CC1 ZINC000056523610 398977963 /nfs/dbraw/zinc/97/79/63/398977963.db2.gz ZHTPIGAZEHJDNX-BRWVUGGUSA-N 2 0 323.525 2.543 20 0 DFADRP CC[C@H]1CCCCN1C(=O)[C@H](C)[NH+]1CCC(CC[NH+](C)C)CC1 ZINC000056524633 398978016 /nfs/dbraw/zinc/97/80/16/398978016.db2.gz XDUDSNGNMCMXMS-WMZOPIPTSA-N 2 0 323.525 2.830 20 0 DFADRP CC[NH+]1CCN([C@@H](C)C[NH2+]Cc2cccn2CCC(C)C)CC1 ZINC000161648433 398978270 /nfs/dbraw/zinc/97/82/70/398978270.db2.gz AWDHJYDFLCZHAX-SFHVURJKSA-N 2 0 320.525 2.650 20 0 DFADRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+]CCSCc1ccccc1 ZINC000193919891 201145690 /nfs/dbraw/zinc/14/56/90/201145690.db2.gz URTRRSDXVCUQEF-QGZVFWFLSA-N 2 0 321.534 2.535 20 0 DFADRP CC[C@@H](C[NH2+][C@@H](C)CCN1CC[NH+](C)CC1)c1ccccc1 ZINC000473072574 299328281 /nfs/dbraw/zinc/32/82/81/299328281.db2.gz QOEVTFDRBJDSAP-ROUUACIJSA-N 2 0 303.494 2.796 20 0 DFADRP CCC(CC)(CNC(=O)N[C@@H](C)C[NH3+])[NH2+][C@@H](C)c1ccccc1 ZINC000417710779 296043097 /nfs/dbraw/zinc/04/30/97/296043097.db2.gz VDEXRQXKYVKANF-GJZGRUSLSA-N 2 0 320.481 2.542 20 0 DFADRP CCC[C@@](C)([NH3+])C(=O)N1CCc2c1cccc2C[NH+]1CCCC1 ZINC000361709959 283690392 /nfs/dbraw/zinc/69/03/92/283690392.db2.gz AMLIUTNBKVRTKJ-LJQANCHMSA-N 2 0 315.461 2.689 20 0 DFADRP C[C@H]([NH2+]CCCC[NH+]1C[C@H](C)O[C@@H](C)C1)c1cccc(O)c1 ZINC000194872387 201304069 /nfs/dbraw/zinc/30/40/69/201304069.db2.gz RIWOLJXUPCDYAR-JYJNAYRXSA-N 2 0 306.450 2.932 20 0 DFADRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+][C@@H](C)[C@H](C)c1ccccc1 ZINC000248653545 283723756 /nfs/dbraw/zinc/72/37/56/283723756.db2.gz YWZACBVRXQXRQV-SQNIBIBYSA-N 2 0 303.494 2.794 20 0 DFADRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+][C@H](C)[C@H](C)c1ccccc1 ZINC000248653543 283723794 /nfs/dbraw/zinc/72/37/94/283723794.db2.gz YWZACBVRXQXRQV-FGTMMUONSA-N 2 0 303.494 2.794 20 0 DFADRP CC(C)(C(=O)Nc1ccc2c(c1)C[NH2+]CC2)[C@H]([NH3+])c1ccccc1 ZINC000417800393 296052267 /nfs/dbraw/zinc/05/22/67/296052267.db2.gz SOGBPYPVSKDREF-GOSISDBHSA-N 2 0 323.440 2.997 20 0 DFADRP CC(C)(C(=O)NC[C@H]([NH3+])c1ccccc1)[C@@H]([NH3+])c1ccccc1 ZINC000417802182 296052556 /nfs/dbraw/zinc/05/25/56/296052556.db2.gz VFJRTCREOWDIML-IRXDYDNUSA-N 2 0 311.429 2.529 20 0 DFADRP C[C@@H](CCCC[NH3+])NC(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000417809385 296053442 /nfs/dbraw/zinc/05/34/42/296053442.db2.gz MPKWIHXNVHPVLR-HNNXBMFYSA-N 2 0 324.513 2.600 20 0 DFADRP CC(C)[C@H]([NH3+])CCN(C)C(=O)C(C)(C)[C@@H]([NH3+])c1ccccc1 ZINC000417812355 296053908 /nfs/dbraw/zinc/05/39/08/296053908.db2.gz LEIDLRJNJJYIBJ-CVEARBPZSA-N 2 0 305.466 2.544 20 0 DFADRP CC[NH+](CC)Cc1ccc(C(=O)NCC2CC[NH+](CC)CC2)o1 ZINC000057000751 399006477 /nfs/dbraw/zinc/00/64/77/399006477.db2.gz JEMBRDPJDKPKNA-UHFFFAOYSA-N 2 0 321.465 2.583 20 0 DFADRP Cc1ccc(NC(=O)CC[C@@H]2CCC[NH2+]C2)c(C[NH+](C)C)c1 ZINC000621648959 399008882 /nfs/dbraw/zinc/00/88/82/399008882.db2.gz CBRZKMJZVCRSOG-HNNXBMFYSA-N 2 0 303.450 2.775 20 0 DFADRP Cc1cc(C[NH+](C)C)cc(NC(=O)CC[C@H]2CCC[NH2+]C2)c1 ZINC000621658144 399011474 /nfs/dbraw/zinc/01/14/74/399011474.db2.gz ALTJXLXRFFGJIE-OAHLLOKOSA-N 2 0 303.450 2.775 20 0 DFADRP C[C@H]1C[N@H+](CCCc2cncn2C)CC[C@H]1C(=O)OC(C)(C)C ZINC000599579774 399019195 /nfs/dbraw/zinc/01/91/95/399019195.db2.gz BZNMYFSZXWUFBS-GOEBONIOSA-N 2 0 321.465 2.652 20 0 DFADRP C[C@@H](CCNC(=O)NCC1([NH3+])CCCCCC1)[NH+]1CCCCC1 ZINC000418020278 296072218 /nfs/dbraw/zinc/07/22/18/296072218.db2.gz MZYOXZMFSFLCFI-INIZCTEOSA-N 2 0 324.513 2.602 20 0 DFADRP CC[C@H](C)[NH2+][C@@H](CNC(=O)NC(C)(C)CCC[NH3+])c1ccco1 ZINC000418160640 296080962 /nfs/dbraw/zinc/08/09/62/296080962.db2.gz DKVFYMGJPGUOIR-KBPBESRZSA-N 2 0 324.469 2.526 20 0 DFADRP CC[C@@H](C)[NH2+][C@H](CNC(=O)NC(C)(C)CCC[NH3+])c1ccco1 ZINC000418160647 296080982 /nfs/dbraw/zinc/08/09/82/296080982.db2.gz DKVFYMGJPGUOIR-ZIAGYGMSSA-N 2 0 324.469 2.526 20 0 DFADRP CC[C@@H](C)[NH2+][C@H](CNC(=O)NCC([NH3+])(CC)CC)c1ccco1 ZINC000418158870 296080985 /nfs/dbraw/zinc/08/09/85/296080985.db2.gz BSNXJIPDKIKNNW-ZIAGYGMSSA-N 2 0 324.469 2.526 20 0 DFADRP C[NH+]1CCC(C(=O)Nc2cccc(CC[NH+]3CCCC3)c2)CC1 ZINC000091824459 193112819 /nfs/dbraw/zinc/11/28/19/193112819.db2.gz ZDBPMYYPSCIYGH-UHFFFAOYSA-N 2 0 315.461 2.605 20 0 DFADRP CC[C@H](C(=O)Nc1cccc(CC[NH+]2CCCC2)c1)[NH+](C)C ZINC000091824162 193113328 /nfs/dbraw/zinc/11/33/28/193113328.db2.gz HXFNYXJXDBWWMZ-QGZVFWFLSA-N 2 0 303.450 2.604 20 0 DFADRP CCOc1cncc(CN2CCC[C@@H]([NH+]3CCCC3)CC2)c1 ZINC000621717829 399043159 /nfs/dbraw/zinc/04/31/59/399043159.db2.gz PHYQHQKQRNBEOU-QGZVFWFLSA-N 2 0 303.450 2.931 20 0 DFADRP CCCc1ccc(C[N@@H+]2CC[C@H](CN3CCOCC3)C2)s1 ZINC000621717804 399043491 /nfs/dbraw/zinc/04/34/91/399043491.db2.gz OJQQXIRPAZOCQQ-OAHLLOKOSA-N 2 0 308.491 2.855 20 0 DFADRP CCOc1cncc(CN2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000621719280 399045767 /nfs/dbraw/zinc/04/57/67/399045767.db2.gz HPXVSYPPGBRDPP-VQIMIIECSA-N 2 0 315.461 2.929 20 0 DFADRP CC[C@H](C)[NH2+][C@@H](CNC(=O)Nc1ccnc(C)c1)c1ccco1 ZINC000479075019 299371889 /nfs/dbraw/zinc/37/18/89/299371889.db2.gz ADDSQWKBTLTAPV-WFASDCNBSA-N 2 0 316.405 2.656 20 0 DFADRP C[N@H+]1CC=C(C[NH2+]Cc2cc(Br)cs2)CC1 ZINC000271780090 209207630 /nfs/dbraw/zinc/20/76/30/209207630.db2.gz DJGYJLJDRTXAJZ-UHFFFAOYSA-N 2 0 301.253 2.862 20 0 DFADRP CC[N@H+](C)[C@H](C(=O)NCC[NH+](C(C)C)C(C)C)c1ccccc1 ZINC000057893084 399070178 /nfs/dbraw/zinc/07/01/78/399070178.db2.gz RMLLRJKEEJUWKE-SFHVURJKSA-N 2 0 319.493 2.914 20 0 DFADRP CC[NH+]1CCN(CCC[NH2+]Cc2ccc3occc3c2)CC1 ZINC000285416962 283985658 /nfs/dbraw/zinc/98/56/58/283985658.db2.gz JLRCUYHCBKTTBE-UHFFFAOYSA-N 2 0 301.434 2.550 20 0 DFADRP C[C@]1([NH3+])CCCC[C@H]1C(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000263015848 291407585 /nfs/dbraw/zinc/40/75/85/291407585.db2.gz QJAKFVNMQJYQMZ-HKUYNNGSSA-N 2 0 321.509 2.807 20 0 DFADRP CC(C)(C)c1cnc(C[NH2+]CCCC[NH+]2CCOCC2)s1 ZINC000447937297 297326374 /nfs/dbraw/zinc/32/63/74/297326374.db2.gz ALJBOPOQGZCCKJ-UHFFFAOYSA-N 2 0 311.495 2.643 20 0 DFADRP C[C@H]([NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccc([S@](C)=O)cc1 ZINC000268766995 299387833 /nfs/dbraw/zinc/38/78/33/299387833.db2.gz JTFYFMRKPLXUGH-QRHKASNESA-N 2 0 306.475 2.701 20 0 DFADRP Cc1ccsc1C[N@@H+](C)CCCN1CC[NH+](C(C)C)CC1 ZINC000337290181 284069456 /nfs/dbraw/zinc/06/94/56/284069456.db2.gz CTFFQRLGKUYIHX-UHFFFAOYSA-N 2 0 309.523 2.904 20 0 DFADRP CC[N@H+](Cc1ccc(C(=O)NCC[NH+](C)C(C)C)cc1)C1CC1 ZINC000338432883 284112886 /nfs/dbraw/zinc/11/28/86/284112886.db2.gz ZQJZDASTGOMJPB-UHFFFAOYSA-N 2 0 317.477 2.741 20 0 DFADRP C[C@@H]([NH2+]C(C)(C)CNC(=O)C[C@@H]1CCC[C@H]1[NH3+])c1ccccc1 ZINC000261737107 203106691 /nfs/dbraw/zinc/10/66/91/203106691.db2.gz LLAPMFMDIPDPBA-HYVNUMGLSA-N 2 0 317.477 2.750 20 0 DFADRP CC[NH+](CC)[C@H](CNC(=O)[C@@H]1CCC[NH2+][C@@H]1C)c1ccccc1 ZINC000261752566 203109902 /nfs/dbraw/zinc/10/99/02/203109902.db2.gz PCWRJMWYWHFBIG-KBAYOESNSA-N 2 0 317.477 2.574 20 0 DFADRP CC[N@H+](C)[C@H](C(=O)N1CCC(CC[NH2+]C)CC1)c1ccccc1 ZINC000262057993 203186427 /nfs/dbraw/zinc/18/64/27/203186427.db2.gz NMJSNFKLETZFKH-SFHVURJKSA-N 2 0 317.477 2.528 20 0 DFADRP CC[NH+]1CCN([C@@H]2CC[N@H+](C/C(C)=C/c3ccccc3)C2)CC1 ZINC000093133072 193205732 /nfs/dbraw/zinc/20/57/32/193205732.db2.gz OLEZVVARVHRXPV-PHKMIBKXSA-N 2 0 313.489 2.802 20 0 DFADRP CC[NH+]1CCN([C@@H]2CC[N@H+](C/C=C/c3ccc(F)cc3)C2)CC1 ZINC000093133136 193206142 /nfs/dbraw/zinc/20/61/42/193206142.db2.gz VQTYDYHIPHQIDY-GNAXCBTBSA-N 2 0 317.452 2.551 20 0 DFADRP CCC[C@](C)([NH3+])C(=O)NC1CC[NH+](Cc2ccccc2C)CC1 ZINC000262133711 203207581 /nfs/dbraw/zinc/20/75/81/203207581.db2.gz NHXBSPFQSKFYJU-IBGZPJMESA-N 2 0 317.477 2.593 20 0 DFADRP CC(C)[N@H+](C)Cc1cccc(CNC(=O)[C@H]2CC[NH2+][C@@H](C)C2)c1 ZINC000262309752 203257269 /nfs/dbraw/zinc/25/72/69/203257269.db2.gz AGDVHJYQLWZAHU-YJBOKZPZSA-N 2 0 317.477 2.531 20 0 DFADRP Cc1ccc2ncc(C[NH2+]CCCCC[NH+]3CCCC3)n2c1 ZINC000339500082 284143485 /nfs/dbraw/zinc/14/34/85/284143485.db2.gz MKVIZDSEMFZSGZ-UHFFFAOYSA-N 2 0 300.450 2.998 20 0 DFADRP CC[NH+](CC)CCC[C@H](C)NC(=O)[C@@H]([NH3+])c1ccc(C)cc1 ZINC000262524128 203319463 /nfs/dbraw/zinc/31/94/63/203319463.db2.gz OQSGRZLZDZVSAF-RDJZCZTQSA-N 2 0 305.466 2.622 20 0 DFADRP CC[C@H]([NH2+]C[C@@H](C)N1CC[NH+](C)CC1)c1cc(C)ccc1OC ZINC000093405423 193245717 /nfs/dbraw/zinc/24/57/17/193245717.db2.gz JURDPWAJJYFRKQ-AEFFLSMTSA-N 2 0 319.493 2.680 20 0 DFADRP CCC[C@H]([NH3+])C(=O)N(C)[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000262682774 203380810 /nfs/dbraw/zinc/38/08/10/203380810.db2.gz YLYLABWWYKGKJT-NJAFHUGGSA-N 2 0 317.477 2.625 20 0 DFADRP C1=C[C@H]2C[C@@H]1C[C@H]2C[NH+]1CCC(OCC[NH+]2CCCC2)CC1 ZINC000093734935 193299048 /nfs/dbraw/zinc/29/90/48/193299048.db2.gz PHXOWZBXWSPVDW-SQNIBIBYSA-N 2 0 304.478 2.775 20 0 DFADRP CCC[N@@H+]1CCC[C@@H]1C(=O)Nc1cc(C)cc(C[NH+](C)C)c1 ZINC000340332881 284177106 /nfs/dbraw/zinc/17/71/06/284177106.db2.gz IQNVWSRXUPBGQT-QGZVFWFLSA-N 2 0 303.450 2.870 20 0 DFADRP C[NH+]1CCN(c2cccc(Cl)c2C[NH2+]C[C@@H]2CC23CC3)CC1 ZINC000419836150 296149944 /nfs/dbraw/zinc/14/99/44/296149944.db2.gz XJQHCBDEQFHWLR-AWEZNQCLSA-N 2 0 319.880 2.982 20 0 DFADRP CC[NH+](CC)Cc1ccc(C(=O)NCCCC[NH+](C)C)cc1 ZINC000263703090 203520637 /nfs/dbraw/zinc/52/06/37/203520637.db2.gz PABIMRCIPWDIPL-UHFFFAOYSA-N 2 0 305.466 2.600 20 0 DFADRP CCSCC[NH+]1CCC(c2cc(C3CC[NH2+]CC3)[nH]n2)CC1 ZINC000595909830 399132216 /nfs/dbraw/zinc/13/22/16/399132216.db2.gz SQCYRGSKNJVLQK-UHFFFAOYSA-N 2 0 322.522 2.809 20 0 DFADRP Cc1cc(N2CC[NH2+][C@@H](C)C2)c2cc(OC(F)F)ccc2[nH+]1 ZINC000420217232 296162909 /nfs/dbraw/zinc/16/29/09/296162909.db2.gz XGTQVCNCLBSJDJ-NSHDSACASA-N 2 0 307.344 2.943 20 0 DFADRP C[C@@H]([NH2+][C@H]1CCOC1(C)C)c1ccc(OCC[NH+](C)C)cc1 ZINC000296654697 296164295 /nfs/dbraw/zinc/16/42/95/296164295.db2.gz ZEFFHVNVGFXLLJ-PBHICJAKSA-N 2 0 306.450 2.845 20 0 DFADRP COCC1(CNc2c(C)c[nH+]c3c(C)cccc23)CC[NH2+]CC1 ZINC000420235136 296164504 /nfs/dbraw/zinc/16/45/04/296164504.db2.gz DNDKIQGEDWTVLI-UHFFFAOYSA-N 2 0 313.445 2.702 20 0 DFADRP COc1cc2c(cc1F)[nH+]ccc2N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000420253519 296165900 /nfs/dbraw/zinc/16/59/00/296165900.db2.gz BDXOIUBOYTVHBU-RISCZKNCSA-N 2 0 301.365 2.571 20 0 DFADRP COc1cc2c(cc1F)[nH+]ccc2N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000420254409 296166110 /nfs/dbraw/zinc/16/61/10/296166110.db2.gz RLWRDCOSMXETLI-SFHVURJKSA-N 2 0 315.392 2.962 20 0 DFADRP COc1cc2c(cc1F)[nH+]ccc2N1CC[NH2+]C[C@@](C)(F)C1 ZINC000420255788 296166343 /nfs/dbraw/zinc/16/63/43/296166343.db2.gz BVKRBYPHGHFAID-MRXNPFEDSA-N 2 0 307.344 2.520 20 0 DFADRP CC(C)Oc1ccc2[nH+]ccc(N3CCCO[C@@H](C[NH3+])C3)c2c1 ZINC000420271704 296167853 /nfs/dbraw/zinc/16/78/53/296167853.db2.gz BSQJFRAJGHPROD-HNNXBMFYSA-N 2 0 315.417 2.576 20 0 DFADRP C[C@@H]1CN(c2ccnc3ccc(Br)cc32)C[C@@H]1[NH3+] ZINC000420285920 296169412 /nfs/dbraw/zinc/16/94/12/296169412.db2.gz VWPDXYUNXHVBAU-SKDRFNHKSA-N 2 0 306.207 2.781 20 0 DFADRP Cc1cc(-c2noc(CN3CCC[C@@H]([C@H](C)[NH3+])C3)n2)ccc1F ZINC000420290014 296169805 /nfs/dbraw/zinc/16/98/05/296169805.db2.gz LDKPZDXWXQRHLW-GXTWGEPZSA-N 2 0 318.396 2.743 20 0 DFADRP CCS[C@H]1CC[C@@H]([N@H+](C)C[C@H](O)[C@@H]([NH3+])Cc2ccccc2)C1 ZINC000420294532 296170468 /nfs/dbraw/zinc/17/04/68/296170468.db2.gz AZUAWFYBLXJIJI-OWSLCNJRSA-N 2 0 322.518 2.523 20 0 DFADRP c1ccc(C[N@H+](CC[C@H]2CC[NH2+]C2)CC2CCOCC2)cc1 ZINC000420294124 296170591 /nfs/dbraw/zinc/17/05/91/296170591.db2.gz APPTYHUELWSEKH-QGZVFWFLSA-N 2 0 302.462 2.915 20 0 DFADRP OCCC[N@H+](CC[C@@H]1CC[NH2+]C1)[C@@H]1CCCc2ccccc21 ZINC000420294603 296170607 /nfs/dbraw/zinc/17/06/07/296170607.db2.gz BJJDXYXAGXZOHT-QFBILLFUSA-N 2 0 302.462 2.748 20 0 DFADRP COC(=O)c1cc2cc(C[N@H+](C)CC(C)(C)C[NH3+])ccc2o1 ZINC000420294664 296170702 /nfs/dbraw/zinc/17/07/02/296170702.db2.gz UBQVGJHQYARTNU-UHFFFAOYSA-N 2 0 304.390 2.636 20 0 DFADRP Cc1cccc(C)c1NC(=O)C[N@H+](C)CC[C@@H]1CCC[NH2+]C1 ZINC000420297826 296170808 /nfs/dbraw/zinc/17/08/08/296170808.db2.gz DPVNMALWLDZHHH-INIZCTEOSA-N 2 0 303.450 2.563 20 0 DFADRP COc1ccc(OC)c([C@@H]2CCC[N@@H+]2CC[C@H]2CC[NH2+]C2)c1 ZINC000420296435 296170890 /nfs/dbraw/zinc/17/08/90/296170890.db2.gz BZLWCKKQZVPURA-PBHICJAKSA-N 2 0 304.434 2.840 20 0 DFADRP COc1ccc(C[N@H+](C)C[C@@H](C[NH3+])c2ccc(OC)cc2)cc1 ZINC000420296957 296171083 /nfs/dbraw/zinc/17/10/83/296171083.db2.gz CTRGZQLPTNHASR-QGZVFWFLSA-N 2 0 314.429 2.878 20 0 DFADRP C[C@H](c1ccccc1)[N@H+](CCN1CC[NH2+]CC1)CC1CCC1 ZINC000420299887 296171181 /nfs/dbraw/zinc/17/11/81/296171181.db2.gz JQJWRQKXXPYKIR-QGZVFWFLSA-N 2 0 301.478 2.755 20 0 DFADRP c1ccc(CC[N@@H+](CC[C@H]2CCC[NH2+]C2)[C@H]2CCOC2)cc1 ZINC000420301522 296171673 /nfs/dbraw/zinc/17/16/73/296171673.db2.gz LKOFXAUGDUOWPH-MOPGFXCFSA-N 2 0 302.462 2.710 20 0 DFADRP CC(C)[C@@H](c1ccccc1Cl)[N@H+](C)CCN1CC[NH2+]CC1 ZINC000420300383 296171396 /nfs/dbraw/zinc/17/13/96/296171396.db2.gz KFYPCUOJOSFPRL-KRWDZBQOSA-N 2 0 309.885 2.874 20 0 DFADRP C[NH+](C)CCC1CC[NH+](Cc2nc3cccnc3s2)CC1 ZINC000341620140 284271126 /nfs/dbraw/zinc/27/11/26/284271126.db2.gz PLNPFHXBKIQOMR-UHFFFAOYSA-N 2 0 304.463 2.855 20 0 DFADRP C[C@@H]1[C@@H](c2ccccc2)CC[N@@H+]1C[C@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC000420299288 296171479 /nfs/dbraw/zinc/17/14/79/296171479.db2.gz IRJOCBSCDZRXSB-SEVLPDGMSA-N 2 0 324.468 2.795 20 0 DFADRP Cc1ccccc1CN1CC[NH+](CC[C@@H]2CCC[NH2+]C2)CC1 ZINC000420310018 296172845 /nfs/dbraw/zinc/17/28/45/296172845.db2.gz USDFIGRDQNFHMS-SFHVURJKSA-N 2 0 301.478 2.502 20 0 DFADRP c1csc(C[N@@H+](CC[C@H]2CCCO2)[C@H]2CC23CC[NH2+]CC3)n1 ZINC000420309458 296172888 /nfs/dbraw/zinc/17/28/88/296172888.db2.gz LLXDKCISHAWKOY-CABCVRRESA-N 2 0 321.490 2.656 20 0 DFADRP Clc1ccccc1[C@H]1C[NH2+]CCN1CC[C@H]1CCC[NH2+]C1 ZINC000420303198 296172275 /nfs/dbraw/zinc/17/22/75/296172275.db2.gz CGPUQTWEFOCEKB-RHSMWYFYSA-N 2 0 307.869 2.676 20 0 DFADRP Cn1cc([C@H](c2cccc(F)c2)[N@H+](C)CC[C@H]2CC[NH2+]C2)cn1 ZINC000420306206 296172458 /nfs/dbraw/zinc/17/24/58/296172458.db2.gz ACMDCBQHDVHJIA-KDOFPFPSSA-N 2 0 316.424 2.580 20 0 DFADRP Cc1cccc(NC(=O)[C@@H](C)[NH+]2CCC([C@@H](C)[NH3+])CC2)c1C ZINC000420305775 296172517 /nfs/dbraw/zinc/17/25/17/296172517.db2.gz ZMBIWTFRFJNCPF-HUUCEWRRSA-N 2 0 303.450 2.690 20 0 DFADRP c1ccc(C[N@@H+](CC[C@H]2CCCO2)[C@@H]2CCC[NH2+]CC2)nc1 ZINC000420305535 296172549 /nfs/dbraw/zinc/17/25/49/296172549.db2.gz GPHWCQYSSNYWEF-QZTJIDSGSA-N 2 0 303.450 2.595 20 0 DFADRP COc1ccc([C@H](C[NH3+])CN(C)CC[C@@H]2CCCC[N@@H+]2C)cc1 ZINC000420307216 296172678 /nfs/dbraw/zinc/17/26/78/296172678.db2.gz BHHCDVFYJSABIR-MSOLQXFVSA-N 2 0 319.493 2.544 20 0 DFADRP CC(C)C[C@H]1CCCC[N@@H+]1C[C@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC000420308101 296173111 /nfs/dbraw/zinc/17/31/11/296173111.db2.gz RZJSFWWGRHUFIL-QYZOEREBSA-N 2 0 304.478 2.818 20 0 DFADRP O=C(c1ccc(F)cc1)[C@@H]1CCC[N@H+](CC[C@H]2CC[NH2+]C2)C1 ZINC000420312282 296173249 /nfs/dbraw/zinc/17/32/49/296173249.db2.gz WQNDRNWJNBBYAF-GDBMZVCRSA-N 2 0 304.409 2.720 20 0 DFADRP C[C@@H]1C[C@H]2CCCC[C@@H]2[N@@H+]1C[C@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC000420312347 296173271 /nfs/dbraw/zinc/17/32/71/296173271.db2.gz WTXZGOBBXWMMEE-IQRFUGTFSA-N 2 0 302.462 2.570 20 0 DFADRP C(C[N@@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1)[C@H]1CCC[NH2+]C1 ZINC000420311589 296173300 /nfs/dbraw/zinc/17/33/00/296173300.db2.gz HEEXICYZOVKXRI-RTBURBONSA-N 3 0 307.526 2.964 20 0 DFADRP C(C[N@@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1)[C@@H]1CCC[NH2+]C1 ZINC000420311584 296173418 /nfs/dbraw/zinc/17/34/18/296173418.db2.gz HEEXICYZOVKXRI-RBUKOAKNSA-N 3 0 307.526 2.964 20 0 DFADRP C[N@H+](CCOc1ccc(Cl)c(F)c1)[C@H]1CCC[NH2+]CC1 ZINC000420310624 296173483 /nfs/dbraw/zinc/17/34/83/296173483.db2.gz MNTFZIQEKAFPSF-LBPRGKRZSA-N 2 0 300.805 2.932 20 0 DFADRP COc1ccc([C@@H](C[NH3+])C[N@H+](C)CCc2cccs2)cc1 ZINC000420311470 296173486 /nfs/dbraw/zinc/17/34/86/296173486.db2.gz VZLJFSRPNXRYTR-HNNXBMFYSA-N 2 0 304.459 2.974 20 0 DFADRP Cc1ccccc1C1CC([N@H+](CCN2CC[NH2+]CC2)C2CC2)C1 ZINC000420312772 296173788 /nfs/dbraw/zinc/17/37/88/296173788.db2.gz XFEPCXGVUPJASG-UHFFFAOYSA-N 2 0 313.489 2.611 20 0 DFADRP O=C(c1ccccc1)C1CC[NH+](CC[C@@H]2CCC[NH2+]C2)CC1 ZINC000420317778 296173976 /nfs/dbraw/zinc/17/39/76/296173976.db2.gz NYMFAPCDAMRWRX-INIZCTEOSA-N 2 0 300.446 2.971 20 0 DFADRP COc1ccccc1[C@H]1C[NH2+]CCN1CCC[NH+]1CCCCC1 ZINC000420308017 296172991 /nfs/dbraw/zinc/17/29/91/296172991.db2.gz JPAFPZXCBIRFMB-GOSISDBHSA-N 2 0 317.477 2.518 20 0 DFADRP Fc1cccc([C@@H]2C[NH2+]CCN2CCC[NH+]2CCCCC2)c1 ZINC000420318362 296174423 /nfs/dbraw/zinc/17/44/23/296174423.db2.gz VWXXNPCZHKKVML-SFHVURJKSA-N 2 0 305.441 2.648 20 0 DFADRP COc1ccc([C@@H](C[NH3+])C[N@@H+]2CCC[C@@H]2c2cc(C)no2)cc1 ZINC000420319339 296174493 /nfs/dbraw/zinc/17/44/93/296174493.db2.gz PFZLKDKGPZZVNH-DOTOQJQBSA-N 2 0 315.417 2.871 20 0 DFADRP CC[N@@H+](Cc1ccccc1C)C[C@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC000420319347 296174521 /nfs/dbraw/zinc/17/45/21/296174521.db2.gz PGUGFCQEUBRMQH-PMACEKPBSA-N 2 0 312.457 2.748 20 0 DFADRP Cc1cccc(NC(=O)[C@@H](C)[N@@H+]2CCC[C@@H](CC[NH3+])C2)c1C ZINC000420317491 296174023 /nfs/dbraw/zinc/17/40/23/296174023.db2.gz UOXJWICVVTUSKE-CVEARBPZSA-N 2 0 303.450 2.691 20 0 DFADRP COC(=O)c1cc2cc(C[NH2+][C@@](C)(C[NH3+])C(C)C)ccc2o1 ZINC000420317117 296174186 /nfs/dbraw/zinc/17/41/86/296174186.db2.gz NEXDAFQGQQATGH-KRWDZBQOSA-N 2 0 304.390 2.682 20 0 DFADRP COc1ccc([C@@H]2CCCCC[N@@H+]2CCN2CC[NH2+]CC2)cc1 ZINC000420315919 296174230 /nfs/dbraw/zinc/17/42/30/296174230.db2.gz LWSJOIJATHZXJG-IBGZPJMESA-N 2 0 317.477 2.518 20 0 DFADRP CC1CC[NH+](C[C@H]2CCC[N@H+](CC[C@@H]3CCC[NH2+]C3)C2)CC1 ZINC000420318694 296174319 /nfs/dbraw/zinc/17/43/19/296174319.db2.gz OKELVEGNRQRVOR-OALUTQOASA-N 3 0 307.526 2.820 20 0 DFADRP CCC[C@H](C[NH+]1CCC([N@H+](C)CCO)CC1)c1ccccc1 ZINC000271739364 209171478 /nfs/dbraw/zinc/17/14/78/209171478.db2.gz QCRSFYIYTHRIJP-GOSISDBHSA-N 2 0 304.478 2.959 20 0 DFADRP COc1ccc([C@H]2CCC[N@@H+]2CC[C@H]2CC[NH2+]C2)c(OC)c1 ZINC000420324379 296175168 /nfs/dbraw/zinc/17/51/68/296175168.db2.gz VCOQNJQYRHADKY-RHSMWYFYSA-N 2 0 304.434 2.840 20 0 DFADRP [NH3+]C[C@H]1C[N@@H+]([C@@H]2CCCc3ccc(F)cc32)CC12CCOCC2 ZINC000420325546 296175800 /nfs/dbraw/zinc/17/58/00/296175800.db2.gz IUMXWAMXGCLNCQ-MAUKXSAKSA-N 2 0 318.436 2.890 20 0 DFADRP c1cc2c(cc1[C@H]1CCC[N@H+]1CC[C@@H]1CC[NH2+]C1)OCCO2 ZINC000420327853 296176029 /nfs/dbraw/zinc/17/60/29/296176029.db2.gz YZNAZGGOILXWTI-GOEBONIOSA-N 2 0 302.418 2.594 20 0 DFADRP [NH3+]C[C@H]1C[N@H+](CCCc2ccc(Cl)cc2)CC12CCOCC2 ZINC000420328753 296176063 /nfs/dbraw/zinc/17/60/63/296176063.db2.gz MYOXTHYLSKDAEI-INIZCTEOSA-N 2 0 322.880 2.960 20 0 DFADRP C[C@@H](C(=O)N[C@H]1CCCC[C@H]1C)[NH+]1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000420336670 296177132 /nfs/dbraw/zinc/17/71/32/296177132.db2.gz IZFGDNHPQHPLSB-MXSMSXNCSA-N 2 0 321.509 2.534 20 0 DFADRP COc1ccc(C)cc1C[NH2+]CCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000062252954 399167932 /nfs/dbraw/zinc/16/79/32/399167932.db2.gz LZSURZYEZWKVQT-CALCHBBNSA-N 2 0 320.477 2.983 20 0 DFADRP c1ccc(-c2noc(C[N@@H+]3CCC[C@@H]([C@H]4CC[NH2+]C4)C3)n2)cc1 ZINC000420344595 296178043 /nfs/dbraw/zinc/17/80/43/296178043.db2.gz UEYGWJOMNSQKSI-JKSUJKDBSA-N 2 0 312.417 2.558 20 0 DFADRP CCC[N@H+](CC)Cc1ccc(C(=O)NC2CC([NH+](C)C)C2)cc1 ZINC000622009685 399168447 /nfs/dbraw/zinc/16/84/47/399168447.db2.gz GGLHTMFECPRQCE-UHFFFAOYSA-N 2 0 317.477 2.741 20 0 DFADRP COC(=O)[C@@H](C)C[N@H+](CCC1CC[NH2+]CC1)Cc1ccccc1 ZINC000420354825 296179115 /nfs/dbraw/zinc/17/91/15/296179115.db2.gz DNCUUCOIIJOGBP-INIZCTEOSA-N 2 0 318.461 2.687 20 0 DFADRP Fc1ccc(C[N@H+](CC[C@H]2CC[NH2+]C2)C2CCOCC2)cc1 ZINC000420360913 296179947 /nfs/dbraw/zinc/17/99/47/296179947.db2.gz MNHLFLDCRXZEHH-OAHLLOKOSA-N 2 0 306.425 2.806 20 0 DFADRP COc1ccccc1COC1CC[NH+](CC[C@@H]2CC[NH2+]C2)CC1 ZINC000420363223 296180247 /nfs/dbraw/zinc/18/02/47/296180247.db2.gz BLNKJMPJVHOCMH-INIZCTEOSA-N 2 0 318.461 2.676 20 0 DFADRP C[C@H](c1ccsc1)N1CC[NH+](CC[C@@H]2CCC[NH2+]C2)CC1 ZINC000420361997 296180427 /nfs/dbraw/zinc/18/04/27/296180427.db2.gz AAXISLIREWVMRN-CVEARBPZSA-N 2 0 307.507 2.816 20 0 DFADRP COC(=O)[C@H](C)C[N@H+](CC[C@H]1CCC[NH2+]C1)Cc1ccccc1 ZINC000420367884 296181051 /nfs/dbraw/zinc/18/10/51/296181051.db2.gz WKGGAYZYCGCXFA-IAGOWNOFSA-N 2 0 318.461 2.687 20 0 DFADRP C[C@H](C[N@H+](C)CCOCC[NH3+])Oc1ccc(Cl)c(Cl)c1 ZINC000420368445 296181655 /nfs/dbraw/zinc/18/16/55/296181655.db2.gz WXKIAIOCPGARRJ-LLVKDONJSA-N 2 0 321.248 2.668 20 0 DFADRP CCc1cccc(C[NH+]2CCC([C@H]3OCCC[C@@H]3[NH3+])CC2)c1 ZINC000420374635 296182333 /nfs/dbraw/zinc/18/23/33/296182333.db2.gz HQKQIPCPGTZUCT-RBUKOAKNSA-N 2 0 302.462 2.967 20 0 DFADRP Cc1cc(C)n(-c2ccc(C[NH2+][C@H]3CC[NH2+]CC3(C)C)cc2)n1 ZINC000420373886 296182378 /nfs/dbraw/zinc/18/23/78/296182378.db2.gz ZMMBTXGOKMAJJY-SFHVURJKSA-N 2 0 312.461 2.967 20 0 DFADRP CCc1ccccc1C[NH+]1CCC([C@@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000420379228 296183328 /nfs/dbraw/zinc/18/33/28/296183328.db2.gz MYAQLGJCUFCVAP-OALUTQOASA-N 2 0 302.462 2.967 20 0 DFADRP [NH3+]CCOCC[N@@H+]1CCc2ccccc2[C@@H]1Cc1ccccc1 ZINC000420380470 296183685 /nfs/dbraw/zinc/18/36/85/296183685.db2.gz WTVSOYFUEHFFRK-FQEVSTJZSA-N 2 0 310.441 2.804 20 0 DFADRP c1ccc2c(c1)cncc2N1CC[NH+](CCC2CC[NH2+]CC2)CC1 ZINC000420383418 296183912 /nfs/dbraw/zinc/18/39/12/296183912.db2.gz ZQRFJJLDOQSQSR-UHFFFAOYSA-N 2 0 324.472 2.747 20 0 DFADRP C[C@H](c1ccsc1)N1CC[NH+](CCC2CC[NH2+]CC2)CC1 ZINC000420383342 296183935 /nfs/dbraw/zinc/18/39/35/296183935.db2.gz ZILLVSPHWOSYHN-OAHLLOKOSA-N 2 0 307.507 2.816 20 0 DFADRP [NH3+][C@H]1CCO[C@H](C2CC[NH+](CCCOc3ccccc3)CC2)C1 ZINC000420388066 296184650 /nfs/dbraw/zinc/18/46/50/296184650.db2.gz KULJCCXBSUFVAU-HKUYNNGSSA-N 2 0 318.461 2.674 20 0 DFADRP [NH3+][C@@H]1CCO[C@@H](C2CC[NH+](CCCc3ccccc3)CC2)C1 ZINC000420387581 296184430 /nfs/dbraw/zinc/18/44/30/296184430.db2.gz KLRLEFYFQBILER-RTBURBONSA-N 2 0 302.462 2.838 20 0 DFADRP CC(C)[C@@H]1CCCC[C@@H]1[NH2+]C[C@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC000420399726 296185954 /nfs/dbraw/zinc/18/59/54/296185954.db2.gz IAERWWGBGVBRGZ-VJANTYMQSA-N 2 0 304.478 2.722 20 0 DFADRP COc1ccc(C[N@@H+]2CC[C@H](CNc3cccc(C)[nH+]3)C2)nc1 ZINC000271717755 209152706 /nfs/dbraw/zinc/15/27/06/209152706.db2.gz CQBFSUFXTNPMHF-OAHLLOKOSA-N 2 0 312.417 2.728 20 0 DFADRP C[NH2+]CCC[NH2+][C@H](C)c1ccc(NC(=O)c2ccncc2)cc1 ZINC000420406702 296187217 /nfs/dbraw/zinc/18/72/17/296187217.db2.gz NVUDJHUCLVSMBC-CQSZACIVSA-N 2 0 312.417 2.594 20 0 DFADRP Cc1cc(C)n(-c2ccc(C[N@H+]3CC[C@@H](C)[C@H](C[NH3+])C3)cc2)n1 ZINC000420417298 296187857 /nfs/dbraw/zinc/18/78/57/296187857.db2.gz WHZCLHABHWWSJO-RDTXWAMCSA-N 2 0 312.461 2.906 20 0 DFADRP CC(C)([NH3+])c1noc(C[NH2+][C@@H]2CCC[C@H]2Cc2ccccc2)n1 ZINC000420422278 296188199 /nfs/dbraw/zinc/18/81/99/296188199.db2.gz ZDKMQNZKVVQRIQ-LSDHHAIUSA-N 2 0 314.433 2.764 20 0 DFADRP C[C@H]1C[C@@H](C(=O)Nc2ccccc2Nc2cc[nH+]cc2)CC[N@@H+]1C ZINC000614255746 399191834 /nfs/dbraw/zinc/19/18/34/399191834.db2.gz WGFKBTLWZDUCKJ-GJZGRUSLSA-N 2 0 324.428 2.916 20 0 DFADRP CC(C)[C@H](CNc1cc[nH+]c2ccccc12)[NH+]1CCN(C)CC1 ZINC000266158472 205145296 /nfs/dbraw/zinc/14/52/96/205145296.db2.gz MOVQRXABICVUHH-IBGZPJMESA-N 2 0 312.461 2.919 20 0 DFADRP CC[NH+](CC)CCCCNC(=O)[C@@H](c1ccccc1)[N@H+](C)CC ZINC000264869124 284366971 /nfs/dbraw/zinc/36/69/71/284366971.db2.gz GIKSDYQLPYCPQH-GOSISDBHSA-N 2 0 319.493 2.918 20 0 DFADRP C[C@@H]1[C@H]([NH2+]Cc2ccc(C(N)=O)cc2)CCN1Cc1ccccc1 ZINC000288387621 220125948 /nfs/dbraw/zinc/12/59/48/220125948.db2.gz GPWRPKLMNJCWJC-DNVCBOLYSA-N 2 0 323.440 2.538 20 0 DFADRP CC[C@H]1C[N@H+](C)CCCN1C(=O)[C@H]1CC[NH+](C2CCCCC2)C1 ZINC000614331281 399209706 /nfs/dbraw/zinc/20/97/06/399209706.db2.gz PJXYWLCHEVHXIG-IRXDYDNUSA-N 2 0 321.509 2.584 20 0 DFADRP C[C@@H](C[NH+](C)CC[C@@H]1CCCO1)C[N@H+](C)CC[C@H]1CCCO1 ZINC000342607936 284379296 /nfs/dbraw/zinc/37/92/96/284379296.db2.gz RXWBECQQXYLWGV-NNZMDNLPSA-N 2 0 312.498 2.624 20 0 DFADRP C[N@@H+]1CCCC[C@H]1CCC(=O)N[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC000622172513 399213919 /nfs/dbraw/zinc/21/39/19/399213919.db2.gz NRJKVPBFQALRNM-SJORKVTESA-N 2 0 321.509 2.774 20 0 DFADRP C[C@@H]1C[N@H+](Cc2cccc(CN3CCOCC3)c2)CC(C)(C)O1 ZINC000420909529 296210952 /nfs/dbraw/zinc/21/09/52/296210952.db2.gz YZQZMGKXWPTKDY-MRXNPFEDSA-N 2 0 318.461 2.518 20 0 DFADRP COc1cccc(-c2n[nH]cc2C[NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)c1 ZINC000608061170 399229320 /nfs/dbraw/zinc/22/93/20/399229320.db2.gz BYVOWYCAOPGVIC-CZUORRHYSA-N 2 0 314.433 2.658 20 0 DFADRP COc1cccc(-c2n[nH]cc2C[NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)c1 ZINC000608061169 399229551 /nfs/dbraw/zinc/22/95/51/399229551.db2.gz BYVOWYCAOPGVIC-CJNGLKHVSA-N 2 0 314.433 2.658 20 0 DFADRP CSc1ccc([C@H](C)[NH2+]CCCN2CC[NH+](C)CC2)cc1 ZINC000021515229 182277179 /nfs/dbraw/zinc/27/71/79/182277179.db2.gz PMFVTSBRIKSGKG-HNNXBMFYSA-N 2 0 307.507 2.697 20 0 DFADRP CCOC(=O)C1(C)CC([NH2+][C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)C1 ZINC000601275763 399268761 /nfs/dbraw/zinc/26/87/61/399268761.db2.gz DUKZQJWHBZPRDM-JYMZVQIXSA-N 2 0 322.493 2.961 20 0 DFADRP CN(CC[NH+]1CCCCC1)C(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC000622738496 399269544 /nfs/dbraw/zinc/26/95/44/399269544.db2.gz UTDJUWFVHIYOFU-GOSISDBHSA-N 2 0 321.509 2.728 20 0 DFADRP CSC1(C[NH2+][C@H]2[C@@H]3CCO[C@@H]3C23CCCC3)CC[NH+](C)CC1 ZINC000601280194 399269786 /nfs/dbraw/zinc/26/97/86/399269786.db2.gz MCVAIXMDJMEXMM-JYJNAYRXSA-N 2 0 324.534 2.751 20 0 DFADRP C[C@H](CNC(=O)c1sccc1C[NH+](C)C)C[NH+]1CCCCC1 ZINC000268019977 206399908 /nfs/dbraw/zinc/39/99/08/206399908.db2.gz IUSHCSGFSPVQEO-CQSZACIVSA-N 2 0 323.506 2.662 20 0 DFADRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+]Cc1cccc(C2CC2)c1 ZINC000421349971 296246426 /nfs/dbraw/zinc/24/64/26/296246426.db2.gz YDFFCHGUOGSBDS-MRXNPFEDSA-N 2 0 301.478 2.680 20 0 DFADRP NC(=O)[C@H]1CC[C@H](C[NH2+]C2CC[NH+](C3CCCCC3)CC2)CC1 ZINC000421349284 296246491 /nfs/dbraw/zinc/24/64/91/296246491.db2.gz ICBKCEHTGPIKRX-WKILWMFISA-N 2 0 321.509 2.665 20 0 DFADRP CO[C@H](C[NH2+]Cc1ccc(OCC[NH+]2CCCC2)cc1)C(C)C ZINC000608579100 399276428 /nfs/dbraw/zinc/27/64/28/399276428.db2.gz XEBKUNDSLNJMNE-LJQANCHMSA-N 2 0 320.477 2.922 20 0 DFADRP C[N@H+](CCCN1CC[NH+](C)CC1)Cc1cccc(C2CC2)c1 ZINC000421360488 296247805 /nfs/dbraw/zinc/24/78/05/296247805.db2.gz ZZFIVWPQRNXLHL-UHFFFAOYSA-N 2 0 301.478 2.633 20 0 DFADRP C[C@H](CC(=O)N1CCCCCC1)[NH2+]C1CCC([NH+](C)C)CC1 ZINC000421372001 296249921 /nfs/dbraw/zinc/24/99/21/296249921.db2.gz LMZACROAFXAFLS-KLAILNCOSA-N 2 0 309.498 2.630 20 0 DFADRP OC[C@@H]1CCC[N@@H+]1CCCC[NH2+]Cc1cccc(C2CC2)c1 ZINC000421370204 296249832 /nfs/dbraw/zinc/24/98/32/296249832.db2.gz WRMFODBHBCFVLD-IBGZPJMESA-N 2 0 302.462 2.891 20 0 DFADRP Cc1ccoc1C[NH2+]CC1(N2CCCCC2)CC[NH+](C)CC1 ZINC000344576771 284651341 /nfs/dbraw/zinc/65/13/41/284651341.db2.gz ICYXJQHRKTXRSA-UHFFFAOYSA-N 2 0 305.466 2.628 20 0 DFADRP CCCN(C(=O)Nc1cccc(C[NH+](C)C)c1)C1CC[NH2+]CC1 ZINC000623054229 399320237 /nfs/dbraw/zinc/32/02/37/399320237.db2.gz GMIBKEKDNGVPRK-UHFFFAOYSA-N 2 0 318.465 2.744 20 0 DFADRP C[NH+](C)Cc1cccc(NC(=O)NC[C@@H]([NH3+])c2ccccc2)c1 ZINC000623056674 399320317 /nfs/dbraw/zinc/32/03/17/399320317.db2.gz JCXXTWMIMAGJHB-QGZVFWFLSA-N 2 0 312.417 2.570 20 0 DFADRP Cc1cc(C[NH2+]CCCN(C)CC[NH+](C)C)cc2cccnc12 ZINC000623087722 399324867 /nfs/dbraw/zinc/32/48/67/399324867.db2.gz FJHHAOMZJFNYOY-UHFFFAOYSA-N 2 0 314.477 2.516 20 0 DFADRP CCC[C@@H](C(=O)N1CCC2(CCC([NH+](C)C)CC2)CC1)[NH+](C)C ZINC000615444501 399337331 /nfs/dbraw/zinc/33/73/31/399337331.db2.gz VHFGCDPMRYRARH-KRWDZBQOSA-N 2 0 323.525 2.830 20 0 DFADRP CO[C@H](C)CC[NH2+]Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000268384780 206675017 /nfs/dbraw/zinc/67/50/17/206675017.db2.gz VWGUNCPODPLKIX-MRXNPFEDSA-N 2 0 319.493 2.732 20 0 DFADRP CON1CCC([NH2+][C@H](C)c2ccc(-n3ccnc3)cc2)CC1 ZINC000421877540 296278600 /nfs/dbraw/zinc/27/86/00/296278600.db2.gz LXJVBWPYPSSKPH-CQSZACIVSA-N 2 0 300.406 2.549 20 0 DFADRP COc1ccc(C[NH2+]CCCC[NH+](C)C)cc1Br ZINC000045598412 183518792 /nfs/dbraw/zinc/51/87/92/183518792.db2.gz NZCSNZDLHLXJRL-UHFFFAOYSA-N 2 0 315.255 2.889 20 0 DFADRP Cc1cc(C[NH2+][C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)n(C)n1 ZINC000284569668 218082186 /nfs/dbraw/zinc/08/21/86/218082186.db2.gz YRTNKTMABOFIFL-DFQSSKMNSA-N 2 0 324.472 2.729 20 0 DFADRP C[NH+]1CCN(C(C)(C)C[NH2+]CCSCc2ccccc2)CC1 ZINC000619534924 399358630 /nfs/dbraw/zinc/35/86/30/399358630.db2.gz GCBRQWYQJCSBAL-UHFFFAOYSA-N 2 0 321.534 2.535 20 0 DFADRP C[N@H+](CCC(=O)N1CCC[C@@]2(CC[NH+](C)C2)C1)C1CCCCC1 ZINC000615600251 399359191 /nfs/dbraw/zinc/35/91/91/399359191.db2.gz BPOAXKRNPRLUPN-IBGZPJMESA-N 2 0 321.509 2.585 20 0 DFADRP C[N@@H+]1CC[C@H]([NH2+]CCCn2cnc3ccccc32)CC1(C)C ZINC000623342183 399366513 /nfs/dbraw/zinc/36/65/13/399366513.db2.gz KVOLJGWKKCZQRU-HNNXBMFYSA-N 2 0 300.450 2.889 20 0 DFADRP CCC[NH+](CCC)CCCC(=O)N1CCC[C@@]2(CC[N@H+](C)C2)C1 ZINC000615619308 399364401 /nfs/dbraw/zinc/36/44/01/399364401.db2.gz MKGOJXDNWIZDLM-IBGZPJMESA-N 2 0 323.525 2.833 20 0 DFADRP CCC[NH+](CCC)CCCC(=O)N1CCC[C@]2(CC[N@H+](C)C2)C1 ZINC000615619309 399364462 /nfs/dbraw/zinc/36/44/62/399364462.db2.gz MKGOJXDNWIZDLM-LJQANCHMSA-N 2 0 323.525 2.833 20 0 DFADRP COc1cccc([C@@H](CN[C@H]2CC[N@H+](C)C(C)(C)C2)[NH+](C)C)c1 ZINC000623335879 399364717 /nfs/dbraw/zinc/36/47/17/399364717.db2.gz JUWMJCOSLPKFGR-FUHWJXTLSA-N 2 0 319.493 2.760 20 0 DFADRP C[C@H](C[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1)N1CCc2sccc2C1 ZINC000623347625 399369012 /nfs/dbraw/zinc/36/90/12/399369012.db2.gz GEAZEJPFWRCMEX-ZBFHGGJFSA-N 2 0 321.534 2.957 20 0 DFADRP CC(C)[C@H](C(=O)NC[C@@H](c1ccccc1)[NH+]1CCCC1)[NH+](C)C ZINC000106427480 194211917 /nfs/dbraw/zinc/21/19/17/194211917.db2.gz WEEHPDLXIRRTQB-ZWKOTPCHSA-N 2 0 317.477 2.526 20 0 DFADRP CC[NH+](CC)Cc1ccccc1CNC(=O)[C@H](C(C)C)[NH+](C)C ZINC000106427590 194212063 /nfs/dbraw/zinc/21/20/63/194212063.db2.gz LRDQWSQHVNHOOS-SFHVURJKSA-N 2 0 319.493 2.731 20 0 DFADRP CC[NH+](CC)[C@H](CNC(=O)[C@@H](C(C)C)[NH+](C)C)c1ccccc1 ZINC000106429005 194213543 /nfs/dbraw/zinc/21/35/43/194213543.db2.gz GUVWJGJUHGYDKX-QZTJIDSGSA-N 2 0 319.493 2.772 20 0 DFADRP CC[NH+](CC)Cc1ccc(CNC(=O)[C@@H](C(C)C)[NH+](C)C)cc1 ZINC000106455135 194216240 /nfs/dbraw/zinc/21/62/40/194216240.db2.gz GWDCSJBJQZQLBI-GOSISDBHSA-N 2 0 319.493 2.731 20 0 DFADRP Cc1ccc(C[NH+](C)C)cc1NC(=O)[C@H](C1CC1)[NH+]1CCCC1 ZINC000273750562 211026551 /nfs/dbraw/zinc/02/65/51/211026551.db2.gz TWRLZCCZPRZGIK-SFHVURJKSA-N 2 0 315.461 2.870 20 0 DFADRP C[N@@H+]1CC[C@@H]([NH2+]CCCN(C(=O)C2CCC2)C2CC2)CC1(C)C ZINC000623410933 399382851 /nfs/dbraw/zinc/38/28/51/399382851.db2.gz MKACKZMJGLFOPW-MRXNPFEDSA-N 2 0 321.509 2.630 20 0 DFADRP C[N@@H+]1CC[C@H]([NH2+]CCNC(=O)CC2CCCCC2)CC1(C)C ZINC000623418451 399384759 /nfs/dbraw/zinc/38/47/59/399384759.db2.gz RFCMQHMUKVUNEW-INIZCTEOSA-N 2 0 309.498 2.535 20 0 DFADRP C[C@@H]([NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1)c1ccc(NC(N)=O)cc1 ZINC000623418100 399385381 /nfs/dbraw/zinc/38/53/81/399385381.db2.gz BVVSOSFFDHYFPZ-IUODEOHRSA-N 2 0 304.438 2.701 20 0 DFADRP C[C@H]1C[NH+](CCCC[NH2+]Cc2ccncc2Cl)C[C@H](C)O1 ZINC000623424981 399386865 /nfs/dbraw/zinc/38/68/65/399386865.db2.gz MYAWHKVJPBTZQK-KBPBESRZSA-N 2 0 311.857 2.714 20 0 DFADRP CC[NH+](CC)[C@H](CNC(=O)C1([NH3+])CCCCC1)c1ccccc1 ZINC000236873948 284813271 /nfs/dbraw/zinc/81/32/71/284813271.db2.gz YXWPSNHTFFXUKF-QGZVFWFLSA-N 2 0 317.477 2.847 20 0 DFADRP CC[C@@H]1CN(C(=O)C(C)C)CC[C@H]1[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623435367 399388835 /nfs/dbraw/zinc/38/88/35/399388835.db2.gz BOQUEYVMPSMEDI-BRWVUGGUSA-N 2 0 323.525 2.732 20 0 DFADRP C[N@@H+]1CC[C@H]([NH2+]CC[C@H]2COc3ccccc3O2)CC1(C)C ZINC000623452630 399393410 /nfs/dbraw/zinc/39/34/10/399393410.db2.gz KBBFTNPRDVYLGE-GJZGRUSLSA-N 2 0 304.434 2.679 20 0 DFADRP C[NH+](C)Cc1cccc(NC(=O)[C@@H](C2CC2)[NH+]2CCCC2)c1 ZINC000273461287 210793592 /nfs/dbraw/zinc/79/35/92/210793592.db2.gz FINQTAVRUYPNGP-QGZVFWFLSA-N 2 0 301.434 2.561 20 0 DFADRP CC(C)Oc1ccc([C@H](O)C[NH2+][C@@H]2C[C@H](C)[N@H+](C)C[C@@H]2C)cc1 ZINC000268881827 207052449 /nfs/dbraw/zinc/05/24/49/207052449.db2.gz IDJYBVONURPHSR-ILRDRHFLSA-N 2 0 320.477 2.826 20 0 DFADRP C[C@H](C[N@H+](C)Cc1ccccc1)N[C@@H]1CC[NH+](C)C(C)(C)C1 ZINC000623484970 399399744 /nfs/dbraw/zinc/39/97/44/399399744.db2.gz JBMAHAJTQGCWRQ-SJLPKXTDSA-N 2 0 303.494 2.969 20 0 DFADRP Cc1c(F)cccc1NC(=O)CC[N@@H+]1C[C@H](C[NH3+])[C@@H](C)C[C@H]1C ZINC000422640027 296317218 /nfs/dbraw/zinc/31/72/18/296317218.db2.gz UNYNRRNFOUTDJM-GUTXKFCHSA-N 2 0 321.440 2.768 20 0 DFADRP C[C@@H](NCC(C)(C)[N@@H+]1CCc2ccccc2C1)[C@@H]1CCC[NH2+]1 ZINC000422699052 296318136 /nfs/dbraw/zinc/31/81/36/296318136.db2.gz CHOCCBAGXKSAIT-QAPCUYQASA-N 2 0 301.478 2.553 20 0 DFADRP C[C@H](CCC[NH3+])[NH2+]CCc1cc(Br)ccc1F ZINC000422698694 296318244 /nfs/dbraw/zinc/31/82/44/296318244.db2.gz ANBUAJMUPROHFL-SNVBAGLBSA-N 2 0 303.219 2.848 20 0 DFADRP Cc1cccc2oc(CC[NH2+][C@@H]3C[C@H](C)[N@@H+](C)C[C@H]3C)nc21 ZINC000268916848 207082953 /nfs/dbraw/zinc/08/29/53/207082953.db2.gz JEAFCGQNSAVOQN-QLFBSQMISA-N 2 0 301.434 2.997 20 0 DFADRP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1[NH2+]CCCCCOC1CCCCC1 ZINC000422704045 296318852 /nfs/dbraw/zinc/31/88/52/296318852.db2.gz JRORZQGIOGTNFB-SZMVWBNQSA-N 2 0 312.498 2.848 20 0 DFADRP [NH3+]C1CCC([NH2+]Cc2cccc(COC3CCOCC3)c2)CC1 ZINC000422704069 296318971 /nfs/dbraw/zinc/31/89/71/296318971.db2.gz JTHFPILNLXVIOF-UHFFFAOYSA-N 2 0 318.461 2.742 20 0 DFADRP CCOC(=O)C1([C@H](C)[NH2+][C@H]2[C@H](C)CCC[C@@H]2C)CC[NH2+]CC1 ZINC000422706385 296319291 /nfs/dbraw/zinc/31/92/91/296319291.db2.gz UHTAVLAQJADSBS-XUWVNRHRSA-N 2 0 310.482 2.722 20 0 DFADRP C[C@H](C[NH2+][C@H]1CCCCC[C@H]1[NH3+])N1CCc2sccc2C1 ZINC000422707587 296319339 /nfs/dbraw/zinc/31/93/39/296319339.db2.gz AMYNXHBRSBOMAF-BMFZPTHFSA-N 2 0 307.507 2.744 20 0 DFADRP C[C@H](C(=O)N[C@H]1CCCC[C@H]1C)[NH+]1CCC(CC[NH+](C)C)CC1 ZINC000056524644 184015201 /nfs/dbraw/zinc/01/52/01/184015201.db2.gz MGBHSHPUPAIHAZ-NUJGCVRESA-N 2 0 323.525 2.734 20 0 DFADRP C[NH+](C)CCCOc1ccc(C[NH2+][C@@H]2CCCC[C@@H]2C[NH3+])cc1 ZINC000422714131 296320448 /nfs/dbraw/zinc/32/04/48/296320448.db2.gz KQWACNFDXJCZRU-IEBWSBKVSA-N 3 0 319.493 2.624 20 0 DFADRP COc1ccc(CC[NH2+][C@H]2CCCCC[C@@H]2[NH3+])c(OC)c1OC ZINC000422709359 296319819 /nfs/dbraw/zinc/31/98/19/296319819.db2.gz YZLIYWKJUWDLLS-GJZGRUSLSA-N 2 0 322.449 2.505 20 0 DFADRP C[C@@H]([NH2+][C@@H](C)CCCC[NH3+])c1cccc(N2CCCC2=O)c1 ZINC000422709073 296319886 /nfs/dbraw/zinc/31/98/86/296319886.db2.gz YPNVVKDRNXTAHP-LSDHHAIUSA-N 2 0 303.450 2.982 20 0 DFADRP CC(C)(C[NH2+][C@H]1CCC[C@@H]1C[NH3+])N1CCc2ccccc2C1 ZINC000422709961 296319914 /nfs/dbraw/zinc/31/99/14/296319914.db2.gz ZZWWFQKFKNOPRR-AEFFLSMTSA-N 2 0 301.478 2.540 20 0 DFADRP Cc1ccc(C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)c(C)c1 ZINC000057157332 184029278 /nfs/dbraw/zinc/02/92/78/184029278.db2.gz YCHUGAOVYZLEHX-UHFFFAOYSA-N 2 0 319.493 2.649 20 0 DFADRP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cccc3nsnc32)[C@@H](C)C1 ZINC000268953999 207118892 /nfs/dbraw/zinc/11/88/92/207118892.db2.gz SYBVQBHRNDBFCA-WFASDCNBSA-N 2 0 304.463 2.853 20 0 DFADRP C[C@H](CCC[NH3+])[NH2+]Cc1cccc(NC(=O)c2ccccn2)c1 ZINC000422716270 296320695 /nfs/dbraw/zinc/32/06/95/296320695.db2.gz UCQONFHMSKJLAQ-CQSZACIVSA-N 2 0 312.417 2.551 20 0 DFADRP CCC(CC)[C@H](O)C[NH2+][C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422718881 296320897 /nfs/dbraw/zinc/32/08/97/296320897.db2.gz XXYMUPYPIALSBP-YQVWRLOYSA-N 2 0 318.461 2.629 20 0 DFADRP CCOc1ccccc1OCC[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000268962830 207126853 /nfs/dbraw/zinc/12/68/53/207126853.db2.gz GBNFZUKTSJTCKW-IAGOWNOFSA-N 2 0 318.461 2.880 20 0 DFADRP C[N@@H+]1CC[C@@H](NCc2c(F)cccc2-n2cccn2)CC1(C)C ZINC000623542185 399412581 /nfs/dbraw/zinc/41/25/81/399412581.db2.gz QHHBLOVJMBICRU-CQSZACIVSA-N 2 0 316.424 2.974 20 0 DFADRP CC[NH+](CC)C[C@H](C)N[C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422720741 296321248 /nfs/dbraw/zinc/32/12/48/296321248.db2.gz SZTQGYUOOIRPRX-VDZJLULYSA-N 2 0 317.477 2.562 20 0 DFADRP CN(CCC[NH2+]Cc1c(F)ccc(F)c1Cl)CC[NH+](C)C ZINC000623576025 399420596 /nfs/dbraw/zinc/42/05/96/399420596.db2.gz AIFYEQAFLLGYMA-UHFFFAOYSA-N 2 0 319.827 2.591 20 0 DFADRP CCOC(=O)C1([C@@H](C)[NH2+]CCCc2ccccc2)CC[NH2+]CC1 ZINC000422729149 296322898 /nfs/dbraw/zinc/32/28/98/296322898.db2.gz HKMHLKVLYWRKQK-MRXNPFEDSA-N 2 0 318.461 2.530 20 0 DFADRP C[C@@H]([NH3+])C[C@@H](C)[NH2+]Cc1cccc(NC(=O)c2ccncc2)c1 ZINC000422729697 296322783 /nfs/dbraw/zinc/32/27/83/296322783.db2.gz IJYUWZYYXFCGMT-ZIAGYGMSSA-N 2 0 312.417 2.549 20 0 DFADRP [NH3+]C[C@H]1CCC[C@@H]1[NH2+]Cc1cc(F)cc(Br)c1 ZINC000422730483 296323121 /nfs/dbraw/zinc/32/31/21/296323121.db2.gz JTUQXFGMSGABTE-MFKMUULPSA-N 2 0 301.203 2.805 20 0 DFADRP C[C@H](CC[NH+](C)C)[NH2+][C@H](C)c1cccc(OCC[NH+](C)C)c1 ZINC000268995772 207153274 /nfs/dbraw/zinc/15/32/74/207153274.db2.gz KNJPWHQLMCOFQJ-HZPDHXFCSA-N 3 0 307.482 2.618 20 0 DFADRP CC[NH+](CC)CCCN[C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422732421 296323361 /nfs/dbraw/zinc/32/33/61/296323361.db2.gz PULIBTGBJWZEKA-IEBWSBKVSA-N 2 0 317.477 2.564 20 0 DFADRP CC(C)[NH+]1CCC(O)(C[NH2+][C@@H](C)CCc2ccc(F)cc2)CC1 ZINC000269028002 207177120 /nfs/dbraw/zinc/17/71/20/207177120.db2.gz SMHCSJDUYBHQRW-INIZCTEOSA-N 2 0 322.468 2.972 20 0 DFADRP C[C@H]1C[C@H](NC[C@H]2CCC[NH+]2C)CC[N@@H+]1Cc1ccccc1 ZINC000623634929 399432627 /nfs/dbraw/zinc/43/26/27/399432627.db2.gz IGYKJEJUIXMDDT-QXAKKESOSA-N 2 0 301.478 2.723 20 0 DFADRP C[N@@H+]1CCCC[C@H](C[NH2+]Cc2ccc(O[C@H]3CCOC3)cc2)C1 ZINC000623656998 399436517 /nfs/dbraw/zinc/43/65/17/399436517.db2.gz HJJWGULISIOBRX-MJGOQNOKSA-N 2 0 318.461 2.676 20 0 DFADRP CC(C)n1ncc2cc(C[NH2+]C[C@@H]3CCCC[N@H+](C)C3)cnc21 ZINC000623656275 399436582 /nfs/dbraw/zinc/43/65/82/399436582.db2.gz QYENPSWPPHPFJJ-HNNXBMFYSA-N 2 0 315.465 2.834 20 0 DFADRP CC(C)n1nccc1[C@@H]1OCC[C@H]1[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000623733398 399452878 /nfs/dbraw/zinc/45/28/78/399452878.db2.gz LDFCBJQUYJOXDY-YFHUEUNASA-N 2 0 318.465 2.510 20 0 DFADRP COC(=O)c1[nH]c(C[NH+]2CCC(CCC[NH+](C)C)CC2)cc1C ZINC000602478107 399456974 /nfs/dbraw/zinc/45/69/74/399456974.db2.gz WLBIFGDSXQVDJD-UHFFFAOYSA-N 2 0 321.465 2.664 20 0 DFADRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@@H](C)c1cc(OC)ccc1OC ZINC000269097089 207238626 /nfs/dbraw/zinc/23/86/26/207238626.db2.gz SDQJBESLWCDXDD-GOEBONIOSA-N 2 0 324.465 2.711 20 0 DFADRP C[NH2+]CCC1CC[NH+](Cc2cnc3c(cnn3C(C)C)c2)CC1 ZINC000346655184 284918365 /nfs/dbraw/zinc/91/83/65/284918365.db2.gz FMQAUPSQSHKAFA-UHFFFAOYSA-N 2 0 315.465 2.834 20 0 DFADRP C[NH2+]CC1CC[NH+](CCC(=O)Nc2ccccc2Cl)CC1 ZINC000063165859 184275128 /nfs/dbraw/zinc/27/51/28/184275128.db2.gz WUQGCBPLKGDKEB-UHFFFAOYSA-N 2 0 309.841 2.600 20 0 DFADRP CCC[N@H+](CC)Cc1ccc(C(=O)N2CCC[C@@H]2C[NH2+]C)cc1 ZINC000269190303 207310903 /nfs/dbraw/zinc/31/09/03/207310903.db2.gz KRAOAXGBKXMWGQ-GOSISDBHSA-N 2 0 317.477 2.743 20 0 DFADRP COC(=O)c1cc(C[NH2+]CCCCC[NH+]2CCCCC2)[nH]c1C ZINC000602537075 399470044 /nfs/dbraw/zinc/47/00/44/399470044.db2.gz NJHKCLQOXWGMOP-UHFFFAOYSA-N 2 0 321.465 2.856 20 0 DFADRP C[C@H](N[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1)c1c[nH+]ccc1N ZINC000422741144 296324360 /nfs/dbraw/zinc/32/43/60/296324360.db2.gz OFTQZHCPXNWHIN-ZOBUZTSGSA-N 2 0 310.445 2.980 20 0 DFADRP Cc1ncc(C[NH2+][C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)s1 ZINC000422740406 296324367 /nfs/dbraw/zinc/32/43/67/296324367.db2.gz MSYIIKLMHRUCQT-DOTOQJQBSA-N 2 0 315.442 2.797 20 0 DFADRP C[C@H](NC1CC[NH+]([C@@H](C)c2ccccc2)CC1)[C@H]1CCC[NH2+]1 ZINC000422740929 296324377 /nfs/dbraw/zinc/32/43/77/296324377.db2.gz COMRGTMJROEHHE-TXPKVOOTSA-N 2 0 301.478 2.942 20 0 DFADRP CCOC(=O)C1([C@H](C)[NH2+][C@H](C)c2ccccc2C)CC[NH2+]CC1 ZINC000422741253 296324401 /nfs/dbraw/zinc/32/44/01/296324401.db2.gz DBNKXQJYNGMOIA-CVEARBPZSA-N 2 0 318.461 2.967 20 0 DFADRP COc1ccc(C[NH2+]CC2CC[NH+](C)CC2)cc1OC(F)F ZINC000065996757 184384521 /nfs/dbraw/zinc/38/45/21/184384521.db2.gz CCPUIRJUALWQSH-UHFFFAOYSA-N 2 0 314.376 2.728 20 0 DFADRP CC1CC[NH+](Cc2cccc(CN[C@H]3CCC[C@H]3[NH3+])c2)CC1 ZINC000422740112 296324426 /nfs/dbraw/zinc/32/44/26/296324426.db2.gz MIOZGWMBKJHPEN-MOPGFXCFSA-N 2 0 301.478 2.888 20 0 DFADRP C[C@H](C[NH2+][C@@H]1CCOC[C@@H]1[C@H]1CCC[NH2+]1)c1ccc(F)cc1 ZINC000422735509 296323775 /nfs/dbraw/zinc/32/37/75/296323775.db2.gz DZZJAKFGCCPALP-BNEJOLLZSA-N 2 0 306.425 2.676 20 0 DFADRP CC[C@H](NC[C@H](c1ccccc1)[NH+]1CCCC1)[C@@H]1CCC[NH2+]1 ZINC000422735800 296323874 /nfs/dbraw/zinc/32/38/74/296323874.db2.gz WRXKMUUJWYAJBE-GBESFXJTSA-N 2 0 301.478 2.944 20 0 DFADRP COC[C@H](CCC[NH3+])[NH2+]CCc1ccccc1C(F)(F)F ZINC000422742616 296324874 /nfs/dbraw/zinc/32/48/74/296324874.db2.gz SBALQQGDNVBBQH-ZDUSSCGKSA-N 2 0 304.356 2.591 20 0 DFADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]C[C@@H](c1c(F)cccc1F)N(C)C ZINC000422743022 296324969 /nfs/dbraw/zinc/32/49/69/296324969.db2.gz HRIWUIGQFGASDK-WQVCFCJDSA-N 2 0 311.420 2.545 20 0 DFADRP CC1CC[NH+](Cc2cccc(CN[C@H]3CCC[C@@H]3[NH3+])c2)CC1 ZINC000422740113 296324593 /nfs/dbraw/zinc/32/45/93/296324593.db2.gz MIOZGWMBKJHPEN-OALUTQOASA-N 2 0 301.478 2.888 20 0 DFADRP CN(C)[C@H](C[NH2+]C1CCC(C[NH3+])CC1)c1c(F)cccc1F ZINC000422739562 296324621 /nfs/dbraw/zinc/32/46/21/296324621.db2.gz ABDQKHCRQINWBZ-SEEARECTSA-N 2 0 311.420 2.675 20 0 DFADRP CCOC(=O)C1([C@H](C)[NH2+][C@H](C)c2ccccc2)CC[NH2+]CC1 ZINC000422749292 296326067 /nfs/dbraw/zinc/32/60/67/296326067.db2.gz YKQMSPQGNHHOPM-CABCVRRESA-N 2 0 304.434 2.659 20 0 DFADRP CCOC(=O)C1([C@@H](C)[NH2+]Cc2ccc(Cl)cc2)CC[NH2+]CC1 ZINC000422748919 296325812 /nfs/dbraw/zinc/32/58/12/296325812.db2.gz WSYRHZVLINYWIT-CYBMUJFWSA-N 2 0 324.852 2.751 20 0 DFADRP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]Cc1cccc(-n2ccnc2)c1 ZINC000422747320 296325819 /nfs/dbraw/zinc/32/58/19/296325819.db2.gz PURSBJQIYBYLNM-JXFKEZNVSA-N 2 0 320.440 2.920 20 0 DFADRP CC(C)NC(=O)[C@@H]1CCC[C@H]([NH2+][C@H]2C[C@@H]([NH3+])c3ccccc32)C1 ZINC000422745735 296325334 /nfs/dbraw/zinc/32/53/34/296325334.db2.gz MTKHDJCCOLABPC-NONVJHHQSA-N 2 0 315.461 2.804 20 0 DFADRP COc1ccc([C@@H](C[NH2+]C2CCC([NH3+])CC2)N2CCCC2)cc1 ZINC000422752856 296326854 /nfs/dbraw/zinc/32/68/54/296326854.db2.gz HPRXEEGOYMJKOE-FAFZWHIHSA-N 2 0 317.477 2.692 20 0 DFADRP COC[C@H](CCC[NH3+])[NH2+]Cc1csc(-c2ccccc2)n1 ZINC000422753882 296327050 /nfs/dbraw/zinc/32/70/50/296327050.db2.gz FHFADSCFNJAJIQ-AWEZNQCLSA-N 2 0 305.447 2.654 20 0 DFADRP COc1cccc([C@H](C[NH2+][C@@H](C)C[C@@H](C)[NH3+])N2CCCC2)c1 ZINC000422754341 296327243 /nfs/dbraw/zinc/32/72/43/296327243.db2.gz GVWSXQPOAKWYCF-VKJFTORMSA-N 2 0 305.466 2.548 20 0 DFADRP COc1ccc([C@H](C[NH2+][C@@H](C)CCC[NH3+])N2CCCCC2)cc1 ZINC000422755946 296327272 /nfs/dbraw/zinc/32/72/72/296327272.db2.gz IHKOHCXSBVKJIB-LPHOPBHVSA-N 2 0 319.493 2.939 20 0 DFADRP C[C@@H](CCC[NH3+])[NH2+][C@H]1CCN(c2ccccc2OC(F)F)C1 ZINC000422754471 296327282 /nfs/dbraw/zinc/32/72/82/296327282.db2.gz FXNXPLPZBDFLQW-STQMWFEESA-N 2 0 313.392 2.584 20 0 DFADRP CC[NH+]1CCC(N[C@H](c2ccc(OC)cc2)[C@@H]2CCC[NH2+]2)CC1 ZINC000422754238 296327327 /nfs/dbraw/zinc/32/73/27/296327327.db2.gz AIPLMNXPECJOSC-RBUKOAKNSA-N 2 0 317.477 2.562 20 0 DFADRP COc1cccc([C@H](C[NH2+][C@H](C)C[C@@H](C)[NH3+])N2CCCC2)c1 ZINC000422754340 296327344 /nfs/dbraw/zinc/32/73/44/296327344.db2.gz GVWSXQPOAKWYCF-RKVPGOIHSA-N 2 0 305.466 2.548 20 0 DFADRP c1ccc(OCC[NH2+][C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)cc1 ZINC000422756092 296327410 /nfs/dbraw/zinc/32/74/10/296327410.db2.gz LGIQTJZULBFODE-QUCCMNQESA-N 2 0 324.424 2.911 20 0 DFADRP c1ccc(OCC[NH2+][C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)cc1 ZINC000422756090 296327475 /nfs/dbraw/zinc/32/74/75/296327475.db2.gz LGIQTJZULBFODE-AZUAARDMSA-N 2 0 324.424 2.911 20 0 DFADRP CCS[C@@H]1CCC[C@@H]([NH2+]C2CC[NH+](CC(C)(C)O)CC2)C1 ZINC000602569793 399478625 /nfs/dbraw/zinc/47/86/25/399478625.db2.gz SHLRTTFHKOZFIH-HZPDHXFCSA-N 2 0 314.539 2.876 20 0 DFADRP C[C@H]([NH2+]CC1(c2cccc(Cl)c2)CCOCC1)C1C[NH2+]C1 ZINC000422760362 296328191 /nfs/dbraw/zinc/32/81/91/296328191.db2.gz LXCATAJQRFAXOD-ZDUSSCGKSA-N 2 0 308.853 2.586 20 0 DFADRP COc1ccc([C@H](C[NH2+][C@H](C)CCC[NH3+])N2CCCC2)cc1 ZINC000422761379 296328523 /nfs/dbraw/zinc/32/85/23/296328523.db2.gz REDUTHQJHMIDPF-QAPCUYQASA-N 2 0 305.466 2.549 20 0 DFADRP COc1ccc([C@H](C[NH2+][C@H](C)CCCC[NH3+])N2CCCC2)cc1 ZINC000422760481 296328562 /nfs/dbraw/zinc/32/85/62/296328562.db2.gz QDUZFDRGGWRWQL-APWZRJJASA-N 2 0 319.493 2.939 20 0 DFADRP C[C@@H]([NH2+]CC1(c2ccc(F)cc2)CCOCC1)[C@H]1CCC[NH2+]1 ZINC000422761069 296328570 /nfs/dbraw/zinc/32/85/70/296328570.db2.gz MICSYPPEYRLXOX-RHSMWYFYSA-N 2 0 306.425 2.604 20 0 DFADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]CCn1cnc2ccccc21 ZINC000422765311 296329091 /nfs/dbraw/zinc/32/90/91/296329091.db2.gz QTNQUWJPEQVMTK-CYBMUJFWSA-N 2 0 309.417 2.549 20 0 DFADRP COc1cccc(N2CCC[C@@H]([NH2+]C3CCC([NH3+])CC3)C2)c1 ZINC000422765296 296329270 /nfs/dbraw/zinc/32/92/70/296329270.db2.gz QSXMHYBLDQZBEX-UYSNPLJNSA-N 2 0 303.450 2.524 20 0 DFADRP C[C@@H]([NH2+]Cc1cccc(OCC[NH+](C)C)c1)[C@H]1CCCCO1 ZINC000623866258 399482726 /nfs/dbraw/zinc/48/27/26/399482726.db2.gz PZQKDIKITHCUSX-CRAIPNDOSA-N 2 0 306.450 2.674 20 0 DFADRP Cc1cccc(N2CCC([NH2+][C@@H]3CCCCC[C@@H]3[NH3+])CC2)n1 ZINC000422765702 296329495 /nfs/dbraw/zinc/32/94/95/296329495.db2.gz RCGGGWAVXRJVHQ-DLBZAZTESA-N 2 0 302.466 2.608 20 0 DFADRP CCOC(=O)C1([C@H](C)[NH2+]C[C@H](C)c2ccccc2)CC[NH2+]CC1 ZINC000422765538 296329585 /nfs/dbraw/zinc/32/95/85/296329585.db2.gz QKBHBLXIARRVLE-HOTGVXAUSA-N 2 0 318.461 2.701 20 0 DFADRP CC[C@H](CCc1ccccc1)[NH2+]CCCN1CCC(O)CC1 ZINC000623871802 399484567 /nfs/dbraw/zinc/48/45/67/399484567.db2.gz NAVYKLVAXSLNPB-GOSISDBHSA-N 2 0 304.478 2.834 20 0 DFADRP COc1ccc([C@H](N[C@@H]2CC[N@H+](C)[C@H](C)C2)[C@@H]2CCC[NH2+]2)cc1 ZINC000422776795 296331002 /nfs/dbraw/zinc/33/10/02/296331002.db2.gz DMSKEPSXTDHEDV-JZGRTCEGSA-N 2 0 317.477 2.561 20 0 DFADRP C[C@H](NCC(C)(C)[N@H+]1C[C@H](C)C[C@H](C)C1)c1c[nH+]ccc1N ZINC000422773239 296330601 /nfs/dbraw/zinc/33/06/01/296330601.db2.gz ZNDYSQQWJQPQAY-ZNMIVQPWSA-N 2 0 304.482 2.901 20 0 DFADRP C[C@H]([NH3+])[C@H](Cc1ccccc1)NCCC[N@@H+]1CCCC[C@@H]1C ZINC000422772678 296330666 /nfs/dbraw/zinc/33/06/66/296330666.db2.gz SRWDMIGSGCRTIV-LNLFQRSKSA-N 2 0 303.494 2.799 20 0 DFADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]CCc1ccn(-c2ccc(F)cc2)n1 ZINC000422782222 296331847 /nfs/dbraw/zinc/33/18/47/296331847.db2.gz FZDQXOUQUKAYDP-KSSFIOAISA-N 2 0 316.424 2.661 20 0 DFADRP [NH3+][C@@H]1C[C@@H]([NH2+]CCCOCC2CCOCC2)c2ccccc21 ZINC000422775155 296331182 /nfs/dbraw/zinc/33/11/82/296331182.db2.gz AJRMFEGRPVTJKH-QZTJIDSGSA-N 2 0 304.434 2.554 20 0 DFADRP CCOC(=O)c1ccc(C[NH2+]Cc2cccc(C[NH+](C)C)c2)[nH]1 ZINC000602594477 399486272 /nfs/dbraw/zinc/48/62/72/399486272.db2.gz XLUYVNFQGLLENC-UHFFFAOYSA-N 2 0 315.417 2.543 20 0 DFADRP C[C@H]([NH3+])[C@H]1COCC[C@@H]1[NH2+]Cc1ccccc1C(F)(F)F ZINC000422778668 296331361 /nfs/dbraw/zinc/33/13/61/296331361.db2.gz HVUYRLAUIZTEFB-SUHUHFCYSA-N 2 0 302.340 2.547 20 0 DFADRP CC[C@H](CCc1ccccc1)[NH2+]C[C@@H](C)CN1CC[NH+](C)CC1 ZINC000623887232 399487713 /nfs/dbraw/zinc/48/77/13/399487713.db2.gz XSJDURCRBNNYCX-UYAOXDASSA-N 2 0 317.521 2.871 20 0 DFADRP CCCC[N@H+](C)CC1CC[NH+](CC(=O)N2CCC(C)CC2)CC1 ZINC000052209608 425884012 /nfs/dbraw/zinc/88/40/12/425884012.db2.gz DDUMUKUVVZKSQL-UHFFFAOYSA-N 2 0 323.525 2.689 20 0 DFADRP C[C@H]1CC[NH2+]C[C@H]1NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000422783854 296332173 /nfs/dbraw/zinc/33/21/73/296332173.db2.gz IARNWKAVIILXKB-QFBILLFUSA-N 2 0 301.478 2.760 20 0 DFADRP C[NH+](C)C1(CN[C@@H]2C[C@H]([NH3+])c3ccccc32)Cc2ccccc2C1 ZINC000422785243 296332329 /nfs/dbraw/zinc/33/23/29/296332329.db2.gz PFPGNRXJXFFYKB-VQTJNVASSA-N 2 0 321.468 2.820 20 0 DFADRP c1ccc2c(c1)O[C@]1(CC[NH2+]C1)C[C@@H]2[NH2+]CCCOCC1CC1 ZINC000422782707 296332465 /nfs/dbraw/zinc/33/24/65/296332465.db2.gz KCAAZOJPPWXJEG-PKOBYXMFSA-N 2 0 316.445 2.649 20 0 DFADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]Cc1ccc(C[NH+]2CCCC2)cc1 ZINC000422786484 296332733 /nfs/dbraw/zinc/33/27/33/296332733.db2.gz OYIYAAOZUACABV-VQIMIIECSA-N 3 0 301.478 2.760 20 0 DFADRP C[NH+](C)C1(CN[C@@H]2CC[NH2+][C@@H](c3ccccc3)C2)CCCC1 ZINC000422791818 296333642 /nfs/dbraw/zinc/33/36/42/296333642.db2.gz VGKLCVATVKCALZ-QZTJIDSGSA-N 2 0 301.478 2.944 20 0 DFADRP CC[C@@H]([NH2+]CCCn1cnc2ccccc21)[C@@H]1CCCC[NH2+]1 ZINC000422793336 296333812 /nfs/dbraw/zinc/33/38/12/296333812.db2.gz XZRQHEYZNMDIES-CVEARBPZSA-N 2 0 300.450 2.937 20 0 DFADRP C[C@H]1CC[NH2+]CC[C@@H]1[NH2+]CCNc1ncc(Cl)cc1Cl ZINC000422795175 296333965 /nfs/dbraw/zinc/33/39/65/296333965.db2.gz ZUOAUSCCQBIHGZ-GWCFXTLKSA-N 2 0 317.264 2.778 20 0 DFADRP [NH3+][C@@H]1CCC[C@H]1NC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000422794209 296333976 /nfs/dbraw/zinc/33/39/76/296333976.db2.gz YLHLCEMWNWWYOH-IAGOWNOFSA-N 2 0 307.869 2.774 20 0 DFADRP Cc1ccc(O[C@H](C)C[NH2+][C@@H]2CCOC[C@H]2[C@H]2CCC[NH2+]2)cc1 ZINC000422795502 296334381 /nfs/dbraw/zinc/33/43/81/296334381.db2.gz VTUXXPDUBPMUSN-QXCFHYIPSA-N 2 0 318.461 2.509 20 0 DFADRP CCOC(=O)C1([C@@H](C)[NH2+][C@@H]2CCc3ccccc32)CC[NH2+]CC1 ZINC000422795770 296334561 /nfs/dbraw/zinc/33/45/61/296334561.db2.gz IBPFAISKNQHJOV-RHSMWYFYSA-N 2 0 316.445 2.585 20 0 DFADRP CCOC(=O)C1([C@H](C)[NH2+][C@@H]2CC[C@@H]3CCC[C@@H]3C2)CC[NH2+]CC1 ZINC000422796001 296334565 /nfs/dbraw/zinc/33/45/65/296334565.db2.gz XHOKAJQLAHHLJR-MWDXBVQZSA-N 2 0 322.493 2.866 20 0 DFADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]CCc1nc(C(F)(F)F)cs1 ZINC000422801668 296335624 /nfs/dbraw/zinc/33/56/24/296335624.db2.gz CJIDZCOZWORQDC-NXEZZACHSA-N 2 0 307.385 2.682 20 0 DFADRP CC[NH+](CC)[C@H](CN[C@H]1CCC[C@H]1[NH3+])c1cccc(OC)c1 ZINC000422797592 296334891 /nfs/dbraw/zinc/33/48/91/296334891.db2.gz NNJCARYBBNTVES-FGTMMUONSA-N 2 0 305.466 2.548 20 0 DFADRP C[C@H]1CC[NH2+]CC[C@H]1[NH2+]CCc1ccn(-c2ccc(F)cc2)n1 ZINC000422796933 296334912 /nfs/dbraw/zinc/33/49/12/296334912.db2.gz ZMSWPUKTKHCXAE-KBXCAEBGSA-N 2 0 316.424 2.532 20 0 DFADRP CC[NH+](CC)[C@@H](CN[C@@H](C)[C@@H]1CCC[NH2+]1)c1cccc(OC)c1 ZINC000422798727 296335162 /nfs/dbraw/zinc/33/51/62/296335162.db2.gz SNRNFOCBMQLADV-SNRMKQJTSA-N 2 0 319.493 2.808 20 0 DFADRP [NH3+][C@H]1C[C@@H](NCC[N@@H+]2CCc3ccccc3C2)c2ccccc21 ZINC000422805650 296336329 /nfs/dbraw/zinc/33/63/29/296336329.db2.gz MKZJXQIKNKCMBL-VQTJNVASSA-N 2 0 307.441 2.779 20 0 DFADRP COC[C@H](CCC[NH3+])[NH2+][C@@H]1CCCO[C@H]1c1ccc(C)cc1 ZINC000422803056 296335753 /nfs/dbraw/zinc/33/57/53/296335753.db2.gz CIEWWGLBFGWAMP-KSZLIROESA-N 2 0 306.450 2.559 20 0 DFADRP c1ccc([C@@H]2C[C@H](NCC[NH+]3CCCCCC3)CC[NH2+]2)cc1 ZINC000422805527 296336060 /nfs/dbraw/zinc/33/60/60/296336060.db2.gz JHWXBTQOQUXGDD-MOPGFXCFSA-N 2 0 301.478 2.945 20 0 DFADRP CC[C@@H](NCCC[N@@H+]1CCc2ccccc2C1)[C@@H]1CCCC[NH2+]1 ZINC000422807020 296336769 /nfs/dbraw/zinc/33/67/69/296336769.db2.gz LOXRJYYPRCDPFI-UXHICEINSA-N 2 0 315.505 2.945 20 0 DFADRP C[C@H]([NH3+])[C@H](Cc1ccccc1)NCc1cccc(C[NH+](C)C)c1 ZINC000422809196 296336883 /nfs/dbraw/zinc/33/68/83/296336883.db2.gz POXRMLIKEYNQHW-JXFKEZNVSA-N 2 0 311.473 2.796 20 0 DFADRP CSCc1ccc(C[NH2+]C2CC[NH+](CC(C)(C)O)CC2)cc1 ZINC000602653789 399504066 /nfs/dbraw/zinc/50/40/66/399504066.db2.gz JFEXEYOGKLDUBJ-UHFFFAOYSA-N 2 0 322.518 2.875 20 0 DFADRP CN(C)c1cc(C[NH2+][C@H]2CCCC[C@H]2C[NH3+])c2ccccc2n1 ZINC000422806476 296336734 /nfs/dbraw/zinc/33/67/34/296336734.db2.gz KXXUEJFGRACZAV-YOEHRIQHSA-N 2 0 312.461 2.908 20 0 DFADRP CN(C)c1cc(C[NH2+][C@H]2CCCC[C@@H]2C[NH3+])c2ccccc2n1 ZINC000422806473 296336738 /nfs/dbraw/zinc/33/67/38/296336738.db2.gz KXXUEJFGRACZAV-PBHICJAKSA-N 2 0 312.461 2.908 20 0 DFADRP C[NH+](C)Cc1cccc(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)c1 ZINC000422811095 296337375 /nfs/dbraw/zinc/33/73/75/296337375.db2.gz TZLNCYDFXTYYJU-GUDVDZBRSA-N 3 0 301.478 2.759 20 0 DFADRP [NH3+][C@H]1CCCCC[C@@H]1[NH2+]CCC1CCN(CC(F)(F)F)CC1 ZINC000422822089 296339331 /nfs/dbraw/zinc/33/93/31/296339331.db2.gz ZTTNKGPQJZPGEX-GJZGRUSLSA-N 2 0 321.431 2.900 20 0 DFADRP FC(F)(F)[C@@H]1CCC[C@H]([NH2+][C@@H]2CCOC[C@H]2[C@@H]2CCC[NH2+]2)C1 ZINC000422821718 296339338 /nfs/dbraw/zinc/33/93/38/296339338.db2.gz YAKYKTXQMJMELB-CAEXGNQWSA-N 2 0 320.399 2.854 20 0 DFADRP Brc1ccccc1CC[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000422824947 296339530 /nfs/dbraw/zinc/33/95/30/296339530.db2.gz IOFHMXUCUINOBB-PBWFPOADSA-N 2 0 309.251 2.864 20 0 DFADRP CC[C@H](NCc1ccccc1OCC[NH+](C)C)[C@H]1CCCC[NH2+]1 ZINC000422824846 296339614 /nfs/dbraw/zinc/33/96/14/296339614.db2.gz OQSDYOQIAHEZFJ-ZWKOTPCHSA-N 2 0 319.493 2.637 20 0 DFADRP CC(C)(C[NH2+][C@H]1CCCC[C@@H]1C[NH3+])c1ccc2c(c1)OCCO2 ZINC000422824993 296339905 /nfs/dbraw/zinc/33/99/05/296339905.db2.gz OVDMQYZFLCACPV-ZBFHGGJFSA-N 2 0 318.461 2.843 20 0 DFADRP COC[C@H](Cc1ccccc1)[NH2+][C@H](C)c1ccc(C[NH3+])nc1C ZINC000422826008 296340126 /nfs/dbraw/zinc/34/01/26/296340126.db2.gz QLOCWLDVSUBHBG-QAPCUYQASA-N 2 0 313.445 2.757 20 0 DFADRP [NH3+][C@H]1CCCCC[C@H]1[NH2+]CCC1CCN(CC(F)(F)F)CC1 ZINC000422822092 296339354 /nfs/dbraw/zinc/33/93/54/296339354.db2.gz ZTTNKGPQJZPGEX-LSDHHAIUSA-N 2 0 321.431 2.900 20 0 DFADRP FC(F)(F)CN1CCC(CC[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000422821091 296339409 /nfs/dbraw/zinc/33/94/09/296339409.db2.gz UJYMUZDRCGVEPR-YIONKMFJSA-N 2 0 319.415 2.523 20 0 DFADRP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]CCc1nccn1Cc1ccccc1 ZINC000422820213 296339422 /nfs/dbraw/zinc/33/94/22/296339422.db2.gz PLUBDIPFEHGQOV-ZWKOTPCHSA-N 2 0 312.461 2.581 20 0 DFADRP CC[NH+](CC)[C@H](CN[C@H]1C[NH2+]CC[C@H]1C)Cc1ccccc1 ZINC000422829491 296340755 /nfs/dbraw/zinc/34/07/55/296340755.db2.gz HPBRERQHLPYHJT-NEWSRXKRSA-N 2 0 303.494 2.527 20 0 DFADRP C[C@H](CCC[NH3+])[NH2+]C[C@@H](C)Oc1ccccc1Br ZINC000422835061 296341886 /nfs/dbraw/zinc/34/18/86/296341886.db2.gz IDJIRCKHBWNXIA-VXGBXAGGSA-N 2 0 315.255 2.933 20 0 DFADRP Cc1ccc([C@H](CN[C@H]2C[NH2+]CC[C@H]2C)[NH+]2CCCC2)cc1 ZINC000422835887 296342129 /nfs/dbraw/zinc/34/21/29/296342129.db2.gz ZFBUJFPQEJLEIL-NEWSRXKRSA-N 2 0 301.478 2.720 20 0 DFADRP C[C@H](Cc1ccncc1)[NH2+][C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422839590 296342510 /nfs/dbraw/zinc/34/25/10/296342510.db2.gz QTYQDZQJWMZXIH-BPAFIMBUSA-N 2 0 323.440 2.858 20 0 DFADRP CCOc1c(OC)cc(C[NH2+][C@H]2CC[NH2+]CC[C@@H]2C)cc1OC ZINC000422839995 296342711 /nfs/dbraw/zinc/34/27/11/296342711.db2.gz RUISKVIPNGGXBZ-ZFWWWQNUSA-N 2 0 322.449 2.580 20 0 DFADRP C[C@@H]1CC[NH2+]C[C@@H]1NC[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000422841298 296342821 /nfs/dbraw/zinc/34/28/21/296342821.db2.gz VOKLGYNWZWRPFU-VYDXJSESSA-N 2 0 307.507 2.548 20 0 DFADRP CO[C@H](C[NH2+]CC1(SC)CC[NH+](C)CC1)C1CCCCC1 ZINC000602665386 399509726 /nfs/dbraw/zinc/50/97/26/399509726.db2.gz AXGVNOGLSXZIRW-MRXNPFEDSA-N 2 0 314.539 2.999 20 0 DFADRP CC(C)(C[NH2+][C@@H]1CCOC[C@@H]1[C@@H]1CCC[NH2+]1)c1ccccc1F ZINC000422846391 296343966 /nfs/dbraw/zinc/34/39/66/296343966.db2.gz FJKDSWVNEAXUCH-FHLIZLRMSA-N 2 0 320.452 2.850 20 0 DFADRP CCNC(=O)c1ccc(C[NH2+][C@H](C)C[C@@H]2CCCCC[NH2+]2)cc1 ZINC000422853751 296345213 /nfs/dbraw/zinc/34/52/13/296345213.db2.gz CFNWPFQAPQKDCZ-QAPCUYQASA-N 2 0 317.477 2.837 20 0 DFADRP COCCCOc1cc(C)ccc1C[NH2+][C@H]1CC[NH2+]CC[C@@H]1C ZINC000422850040 296344724 /nfs/dbraw/zinc/34/47/24/296344724.db2.gz CRAHNCMRWAJJFI-WMZOPIPTSA-N 2 0 320.477 2.888 20 0 DFADRP Cc1ccc(C[NH2+][C@@H]2CCC[C@H]2C[NH3+])c(OC[C@@H]2CCOC2)c1 ZINC000422860695 296346529 /nfs/dbraw/zinc/34/65/29/296346529.db2.gz IQBHUHDDEVUNCV-SOLBZPMBSA-N 2 0 318.461 2.627 20 0 DFADRP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+][C@@H]1CCN(c2ccccc2)C1 ZINC000422865465 296347028 /nfs/dbraw/zinc/34/70/28/296347028.db2.gz YEIZORRIJBUCLL-ILZDJORESA-N 2 0 309.457 2.813 20 0 DFADRP C[C@@H]1CCC[N@H+](Cc2ccc(C[NH2+]C3CC[NH2+]CC3)cc2)C1 ZINC000422857810 296345865 /nfs/dbraw/zinc/34/58/65/296345865.db2.gz HYKOURHEBXZHEX-MRXNPFEDSA-N 3 0 301.478 2.760 20 0 DFADRP c1cn(-c2ccccc2)nc1CC[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000422857596 296345967 /nfs/dbraw/zinc/34/59/67/296345967.db2.gz HBQFJBSWUTVFKI-AQNXPRMDSA-N 2 0 324.472 2.925 20 0 DFADRP Cc1ccc(C[NH2+][C@@H]2CCC[C@H]2C[NH3+])c(OC[C@H]2CCOC2)c1 ZINC000422860697 296346342 /nfs/dbraw/zinc/34/63/42/296346342.db2.gz IQBHUHDDEVUNCV-XYJFISCASA-N 2 0 318.461 2.627 20 0 DFADRP C[C@H](N[C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1)[C@@H]1CCC[NH2+]C1 ZINC000422872822 296347906 /nfs/dbraw/zinc/34/79/06/296347906.db2.gz ITQQVDPBRSXMMU-RNIPGJKVSA-N 2 0 301.478 2.627 20 0 DFADRP C[C@H](N[C@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1)[C@H]1CCCC[NH2+]1 ZINC000422873757 296348377 /nfs/dbraw/zinc/34/83/77/296348377.db2.gz MBFOMZVZAUHZIA-KCITZHQASA-N 2 0 301.478 2.770 20 0 DFADRP C[C@H]([NH2+]Cc1ccccc1C[N@@H+]1CCC[C@@H](C)C1)C1C[NH2+]C1 ZINC000422874396 296348479 /nfs/dbraw/zinc/34/84/79/296348479.db2.gz CSPHVGVVGYHHOG-CVEARBPZSA-N 3 0 301.478 2.616 20 0 DFADRP C[C@H]([NH2+]Cc1ccc(C[NH+]2C[C@H](C)C[C@@H](C)C2)cc1)C1C[NH2+]C1 ZINC000422875681 296348710 /nfs/dbraw/zinc/34/87/10/296348710.db2.gz FOTVOAFIVVPIHH-ZACQAIPSSA-N 3 0 315.505 2.862 20 0 DFADRP CC[N@H+](CCN[C@H](c1ccc(OC)cc1)[C@H]1CCC[NH2+]1)C1CC1 ZINC000422874771 296348740 /nfs/dbraw/zinc/34/87/40/296348740.db2.gz BBGCMODYNUBBAU-RTBURBONSA-N 2 0 317.477 2.562 20 0 DFADRP CSc1ccc(C[NH2+][C@@H]2CCOC[C@H]2[C@@H]2CCC[NH2+]2)cc1 ZINC000422874744 296348749 /nfs/dbraw/zinc/34/87/49/296348749.db2.gz AYHGCVRZKXOTIM-YESZJQIVSA-N 2 0 306.475 2.655 20 0 DFADRP COc1ccc(OC(F)F)c(C[NH2+][C@H]2CCC[C@@H]2C[NH3+])c1 ZINC000422875558 296348871 /nfs/dbraw/zinc/34/88/71/296348871.db2.gz PEBGORQHVVZYIQ-MFKMUULPSA-N 2 0 300.349 2.514 20 0 DFADRP C[C@@H]1C[N@@H+](CC2CC[NH+](CC[C@@H]3CCCCO3)CC2)C[C@H](C)O1 ZINC000347392388 285028482 /nfs/dbraw/zinc/02/84/82/285028482.db2.gz LCDJNMKAGBCWCY-SCTDSRPQSA-N 2 0 324.509 2.767 20 0 DFADRP C[C@H]([NH2+][C@@H](C)[C@H]1CC[NH2+]C1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000422878357 296349029 /nfs/dbraw/zinc/34/90/29/296349029.db2.gz JACJMWOGXXQHSJ-YDHLFZDLSA-N 2 0 316.449 2.619 20 0 DFADRP COc1cc([C@H](C)[NH2+][C@@H](C)[C@@H]2CCC[NH2+]C2)cc(OC)c1OC ZINC000422883771 296350139 /nfs/dbraw/zinc/35/01/39/296350139.db2.gz RBPRXDBRECHFRC-MELADBBJSA-N 2 0 322.449 2.751 20 0 DFADRP C[C@@H]([NH3+])c1ccc(CNC(=O)[C@@H]([NH3+])CC2CCCCC2)cc1 ZINC000422883994 296350225 /nfs/dbraw/zinc/35/02/25/296350225.db2.gz DKEHKSKLSZNVNN-DYVFJYSZSA-N 2 0 303.450 2.620 20 0 DFADRP CCOc1ccc(C2(C[NH2+][C@H]3CCC[C@H]3[NH3+])CCOCC2)cc1 ZINC000422885962 296350409 /nfs/dbraw/zinc/35/04/09/296350409.db2.gz ZTHOIDQMHBJWJP-MSOLQXFVSA-N 2 0 318.461 2.603 20 0 DFADRP CC[C@H](N[C@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1)[C@@H]1CCC[NH2+]1 ZINC000422879653 296349486 /nfs/dbraw/zinc/34/94/86/296349486.db2.gz VVJPCLYEIAVLRK-WNHJNPCNSA-N 2 0 301.478 2.770 20 0 DFADRP c1ccc2c(c1)O[C@]1(CC[NH2+]C1)C[C@@H]2[NH2+]C[C@@H]1CCCS1 ZINC000422881799 296349662 /nfs/dbraw/zinc/34/96/62/296349662.db2.gz ZBRFKPZPECTCML-JLJPHGGASA-N 2 0 304.459 2.728 20 0 DFADRP Cc1ccccc1C1(C[NH2+][C@H](C)[C@@H]2CCC[NH2+]2)CCOCC1 ZINC000422881163 296349759 /nfs/dbraw/zinc/34/97/59/296349759.db2.gz PREPSSXNEPEKTI-AEFFLSMTSA-N 2 0 302.462 2.773 20 0 DFADRP COc1cc(OC)c(CC[NH2+][C@H]2CCCCC[C@@H]2[NH3+])c(OC)c1 ZINC000422886825 296350996 /nfs/dbraw/zinc/35/09/96/296350996.db2.gz JSRPFHXQGXGBPM-HOTGVXAUSA-N 2 0 322.449 2.505 20 0 DFADRP C[C@H](CO)[N@H+](CC[C@@H]1CCC[NH+]1C)C[C@@H](C)c1ccccc1 ZINC000347410319 285039146 /nfs/dbraw/zinc/03/91/46/285039146.db2.gz AKHRWUIXMYXYRM-LMMKCTJWSA-N 2 0 304.478 2.957 20 0 DFADRP COc1cc([C@@H](C)[NH2+][C@H](C)CCCC[NH3+])cc(OC)c1OC ZINC000422887790 296350922 /nfs/dbraw/zinc/35/09/22/296350922.db2.gz ZMLLDDLRXVTOEZ-CHWSQXEVSA-N 2 0 310.438 2.881 20 0 DFADRP CC[C@H]([NH2+]CCCOc1ccc(OC)cc1)[C@H]1CCCC[NH2+]1 ZINC000422894251 296351813 /nfs/dbraw/zinc/35/18/13/296351813.db2.gz BVEHGKORNDGISQ-ZWKOTPCHSA-N 2 0 306.450 2.974 20 0 DFADRP CC[C@@H](C(=O)N(C)CC[C@@H]([NH3+])C(C)C)[N@H+](C)Cc1ccccc1 ZINC000422896441 296352241 /nfs/dbraw/zinc/35/22/41/296352241.db2.gz IHHCMPWKGNDBHF-MSOLQXFVSA-N 2 0 319.493 2.729 20 0 DFADRP CC[C@H](C)NC(=O)c1cccc(C[NH2+][C@@H]2CCCC[C@H]2C[NH3+])c1 ZINC000422895020 296352275 /nfs/dbraw/zinc/35/22/75/296352275.db2.gz UXGRCLVLHALQIR-JCGIZDLHSA-N 2 0 317.477 2.822 20 0 DFADRP Cc1nccn1-c1ccc(C[NH2+][C@H]2CCCC[C@@H]2C[NH3+])cc1F ZINC000422904434 296353939 /nfs/dbraw/zinc/35/39/39/296353939.db2.gz PYCPUPZVOZJRON-WBVHZDCISA-N 2 0 316.424 2.927 20 0 DFADRP COCCOc1cccc(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)c1 ZINC000422904689 296353568 /nfs/dbraw/zinc/35/35/68/296353568.db2.gz XVTYMPLMPKRFPR-CEXWTWQISA-N 2 0 318.461 2.722 20 0 DFADRP CC[NH+](CC)[C@H](CNC(=O)[C@@]1(C)CCC[NH2+]C1)c1ccsc1 ZINC000119968529 195071290 /nfs/dbraw/zinc/07/12/90/195071290.db2.gz WYCPLXXFSJIOOR-WBVHZDCISA-N 2 0 323.506 2.637 20 0 DFADRP c1c2ccccc2oc1CC[NH2+][C@@H]1CCOC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000422919951 296355699 /nfs/dbraw/zinc/35/56/99/296355699.db2.gz LEBFMWRYAZLYSG-OKZBNKHCSA-N 2 0 314.429 2.722 20 0 DFADRP COc1ccc(C[C@H](C)[NH2+]C2CCC(C[NH3+])CC2)cc1OC ZINC000422922705 296356011 /nfs/dbraw/zinc/35/60/11/296356011.db2.gz QPZHAUHZJFKKOV-HLIUYOAVSA-N 2 0 306.450 2.742 20 0 DFADRP C[C@@H]([NH2+]C[C@@H]1CCCCN1Cc1cccc(Cl)c1)C1C[NH2+]C1 ZINC000422910504 296355004 /nfs/dbraw/zinc/35/50/04/296355004.db2.gz QVCDVEGHNFEHEM-KDOFPFPSSA-N 2 0 321.896 2.892 20 0 DFADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]CCOc1ccc(Cl)cn1 ZINC000422931028 296356963 /nfs/dbraw/zinc/35/69/63/296356963.db2.gz WQLSXHXPFGOUBG-LLVKDONJSA-N 2 0 320.824 2.627 20 0 DFADRP [NH3+]CC1CCC([NH2+]CCc2cc(Cl)c3c(c2)OCCO3)CC1 ZINC000422929710 296356988 /nfs/dbraw/zinc/35/69/88/296356988.db2.gz RESSFWPIEDEFFL-UHFFFAOYSA-N 2 0 324.852 2.761 20 0 DFADRP [NH3+]C1CCC([NH2+]Cc2nn(-c3ccccc3)c3c2CCC3)CC1 ZINC000422939722 296358399 /nfs/dbraw/zinc/35/83/99/296358399.db2.gz IGOKVCUQZDAWCD-UHFFFAOYSA-N 2 0 310.445 2.721 20 0 DFADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]CCOc1cccc(F)c1 ZINC000422935797 296357433 /nfs/dbraw/zinc/35/74/33/296357433.db2.gz DRZHVOWGTLVSMU-LBPRGKRZSA-N 2 0 303.381 2.717 20 0 DFADRP CC[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccc2c(c1)OCCO2 ZINC000422934645 296357555 /nfs/dbraw/zinc/35/75/55/296357555.db2.gz CUIGNZYJANLJAD-VFSICIBPSA-N 2 0 302.418 2.782 20 0 DFADRP C[C@H](CCCC[NH3+])[NH2+]Cc1nn(-c2ccccc2)c2c1CCC2 ZINC000422946755 296359381 /nfs/dbraw/zinc/35/93/81/296359381.db2.gz PFELBAIZLAXVBG-OAHLLOKOSA-N 2 0 312.461 2.968 20 0 DFADRP [NH3+]C[C@H]1CCC[C@@H]1[NH2+]CCOc1ccc(C(F)(F)F)cc1 ZINC000422948446 296359699 /nfs/dbraw/zinc/35/96/99/296359699.db2.gz RIFXUAKHZNIHPB-RISCZKNCSA-N 2 0 302.340 2.801 20 0 DFADRP COc1ccc(C[NH2+][C@@H]2CCOC[C@H]2[C@H]2CCC[NH2+]2)cc1Cl ZINC000422948070 296359727 /nfs/dbraw/zinc/35/97/27/296359727.db2.gz ZKIMXKQEICKYPJ-NUEKZKHPSA-N 2 0 324.852 2.595 20 0 DFADRP CCCC[N@@H+]1CCCC[C@H]1CNC(=O)c1ccc2c(c1)C[NH2+]C2 ZINC000347502793 285061346 /nfs/dbraw/zinc/06/13/46/285061346.db2.gz IKOUWNUMTFZMMT-SFHVURJKSA-N 2 0 315.461 2.674 20 0 DFADRP C[C@H]([NH3+])[C@H]1COCC[C@@H]1[NH2+]Cc1ccc(OC2CCCC2)cc1 ZINC000422948506 296359774 /nfs/dbraw/zinc/35/97/74/296359774.db2.gz SBAYLJVGUTXGAO-KYNGSXCRSA-N 2 0 318.461 2.850 20 0 DFADRP CC(C)c1noc(CCC[NH2+][C@H](Cc2ccccc2)[C@H](C)[NH3+])n1 ZINC000422943621 296358769 /nfs/dbraw/zinc/35/87/69/296358769.db2.gz YNSNNRPIOOOPIH-GOEBONIOSA-N 2 0 316.449 2.674 20 0 DFADRP c1cc2c(cc1[C@@H]([NH2+]C1C[C@H]3CC[C@@H](C1)[NH2+]3)C1CC1)OCCO2 ZINC000422942994 296358775 /nfs/dbraw/zinc/35/87/75/296358775.db2.gz LBWCLBXVCULZPQ-IEBWDACRSA-N 2 0 314.429 2.782 20 0 DFADRP C[C@@H]1C[N@@H+](Cc2cccc(N[C@@H]3CCC[NH2+]CC3)c2)C[C@H](C)O1 ZINC000422955832 296360607 /nfs/dbraw/zinc/36/06/07/296360607.db2.gz NSKFWIFAAPJDRI-SOLBZPMBSA-N 2 0 317.477 2.850 20 0 DFADRP C[C@H](CCC[NH3+])Nc1cccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000422956513 296360804 /nfs/dbraw/zinc/36/08/04/296360804.db2.gz PUCLYXHNLQHHNW-OAGGEKHMSA-N 2 0 305.466 2.835 20 0 DFADRP C[C@H](Nc1cccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1)[C@H]1CCC[NH2+]1 ZINC000422958895 296360989 /nfs/dbraw/zinc/36/09/89/296360989.db2.gz ZHDFPDQQIZARQS-CYJAXWMASA-N 2 0 317.477 2.848 20 0 DFADRP C[C@@H](Nc1cccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1)[C@@H]1CCC[NH2+]1 ZINC000422958899 296361033 /nfs/dbraw/zinc/36/10/33/296361033.db2.gz ZHDFPDQQIZARQS-OLMMMNRUSA-N 2 0 317.477 2.848 20 0 DFADRP [NH3+]C[C@H]1CCC[C@H]1[NH2+]CCOc1ccccc1C(F)(F)F ZINC000422958077 296361114 /nfs/dbraw/zinc/36/11/14/296361114.db2.gz OLTBFTNVIIHZJQ-DGCLKSJQSA-N 2 0 302.340 2.801 20 0 DFADRP C[C@H]([NH2+]CCCC(=O)Nc1ccc(Cl)cc1)[C@H]1CC[NH2+]C1 ZINC000422951301 296360004 /nfs/dbraw/zinc/36/00/04/296360004.db2.gz XXUUGFBYQFXFQX-STQMWFEESA-N 2 0 309.841 2.646 20 0 DFADRP C[C@@H]([NH2+]CCCC(=O)Nc1ccc(Cl)cc1)[C@H]1CC[NH2+]C1 ZINC000422951299 296360109 /nfs/dbraw/zinc/36/01/09/296360109.db2.gz XXUUGFBYQFXFQX-OLZOCXBDSA-N 2 0 309.841 2.646 20 0 DFADRP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+]CCCNC(=O)c1cccs1 ZINC000422954322 296360244 /nfs/dbraw/zinc/36/02/44/296360244.db2.gz IBSLRQXWGPSEPE-HUUCEWRRSA-N 2 0 323.506 2.768 20 0 DFADRP C[C@@H](CCCC[NH3+])[NH2+][C@H]1CC(=O)N(c2ccccc2Cl)C1 ZINC000422954474 296360247 /nfs/dbraw/zinc/36/02/47/296360247.db2.gz HPBABKJPVSELJS-STQMWFEESA-N 2 0 309.841 2.552 20 0 DFADRP CCN(CC)C(=O)CCC[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1 ZINC000422954381 296360303 /nfs/dbraw/zinc/36/03/03/296360303.db2.gz HLSLRGQHYOICMO-IXDOHACOSA-N 2 0 309.498 2.535 20 0 DFADRP C[C@@H]1C[NH+](Cc2cccc(NC3CCC([NH3+])CC3)c2)C[C@@H](C)O1 ZINC000422953643 296360394 /nfs/dbraw/zinc/36/03/94/296360394.db2.gz GCZYJBCLWBYXQE-RCDYEMGKSA-N 2 0 317.477 2.978 20 0 DFADRP C[C@H]([NH2+]Cc1ccc(Br)c(F)c1)[C@@H]1CC[NH2+]C1 ZINC000422960213 296361227 /nfs/dbraw/zinc/36/12/27/296361227.db2.gz VSSTWZWDDKWJKP-GXSJLCMTSA-N 2 0 301.203 2.676 20 0 DFADRP C[C@H]([NH2+]Cc1ccc(Br)c(F)c1)[C@H]1CC[NH2+]C1 ZINC000422960216 296361319 /nfs/dbraw/zinc/36/13/19/296361319.db2.gz VSSTWZWDDKWJKP-ONGXEEELSA-N 2 0 301.203 2.676 20 0 DFADRP CC(C)(CO)[C@H](C[NH2+][C@H]1CCCC[C@@H]1C[NH3+])c1ccccc1 ZINC000422962234 296361489 /nfs/dbraw/zinc/36/14/89/296361489.db2.gz CFHYALHOBLTUMJ-KURKYZTESA-N 2 0 304.478 2.896 20 0 DFADRP c1cn2c(n1)[C@H](C[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1)CCC2 ZINC000422963685 296361671 /nfs/dbraw/zinc/36/16/71/296361671.db2.gz GKHZFKZWEXXBFZ-LUKYLMHMSA-N 2 0 302.466 2.661 20 0 DFADRP CC[C@H](NC1CC[NH+]([C@H](C)c2ccncc2)CC1)[C@@H]1CCC[NH2+]1 ZINC000422965575 296362006 /nfs/dbraw/zinc/36/20/06/296362006.db2.gz LQVJKEASWPMXEH-MNEFBYGVSA-N 2 0 316.493 2.727 20 0 DFADRP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1[NH2+]Cc1ccc(-c2ccccc2)o1 ZINC000422966745 296362043 /nfs/dbraw/zinc/36/20/43/296362043.db2.gz AMLHXQGDVYIPBL-JQFCIGGWSA-N 2 0 300.402 2.789 20 0 DFADRP CC[C@H]([NH2+]C[C@@H](c1ccccc1)C(C)(C)CO)[C@@H]1CCC[NH2+]1 ZINC000422965185 296362075 /nfs/dbraw/zinc/36/20/75/296362075.db2.gz KMZZARXLOCASEU-BZSNNMDCSA-N 2 0 304.478 2.909 20 0 DFADRP CCc1noc(-c2ccc(CC[NH2+][C@H]3CCC[C@H]3C[NH3+])cc2)n1 ZINC000422957639 296361138 /nfs/dbraw/zinc/36/11/38/296361138.db2.gz NUEWRUZPQCCKGL-HOTGVXAUSA-N 2 0 314.433 2.559 20 0 DFADRP C[C@@H](NC1CC[NH+]([C@H](C)c2ccncc2)CC1)[C@@H]1CCCC[NH2+]1 ZINC000422970730 296362990 /nfs/dbraw/zinc/36/29/90/296362990.db2.gz WTTRWQPFFIZOHE-MDZRGWNJSA-N 2 0 316.493 2.727 20 0 DFADRP C[C@H](c1ccncc1)[NH+]1CCC(N[C@@H](C)[C@H]2CCCC[NH2+]2)CC1 ZINC000422970725 296363102 /nfs/dbraw/zinc/36/31/02/296363102.db2.gz WTTRWQPFFIZOHE-FRQCXROJSA-N 2 0 316.493 2.727 20 0 DFADRP c1oc2ccccc2c1C[NH2+][C@@H]1CCOC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000422976744 296363287 /nfs/dbraw/zinc/36/32/87/296363287.db2.gz DTFBDJGIKHQSIF-IXDOHACOSA-N 2 0 300.402 2.680 20 0 DFADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]Cc1ccccc1-n1ccnc1 ZINC000422965977 296362318 /nfs/dbraw/zinc/36/23/18/296362318.db2.gz MLCFQIHLQLSHDN-CQSZACIVSA-N 2 0 321.428 2.885 20 0 DFADRP Cc1nn(-c2ccccc2)cc1CCC[NH2+][C@@H](C)[C@@H]1CC[NH2+]C1 ZINC000422967056 296362599 /nfs/dbraw/zinc/36/25/99/296362599.db2.gz SDEHPSBLLSBYJJ-DOTOQJQBSA-N 2 0 312.461 2.701 20 0 DFADRP [NH3+]CC1CCC([NH2+]CCOc2ccc(C(F)(F)F)cn2)CC1 ZINC000422986583 296364268 /nfs/dbraw/zinc/36/42/68/296364268.db2.gz CUAMBYAFUSBFKY-UHFFFAOYSA-N 2 0 317.355 2.586 20 0 DFADRP c1cc(-c2ccccc2)oc1C[NH2+][C@H](C1CC1)[C@@H]1CNCCO1 ZINC000422976853 296363416 /nfs/dbraw/zinc/36/34/16/296363416.db2.gz VRQQMYDUZIDNFN-RBUKOAKNSA-N 2 0 312.413 2.803 20 0 DFADRP c1ccc(COc2cc(C[NH2+][C@H]3CCC[NH2+]CC3)ccn2)cc1 ZINC000422976612 296363488 /nfs/dbraw/zinc/36/34/88/296363488.db2.gz VLASJKZVZJARSW-SFHVURJKSA-N 2 0 311.429 2.892 20 0 DFADRP C[C@@H]([NH2+]CCc1nc(-c2cccc(Cl)c2)no1)[C@H]1CC[NH2+]C1 ZINC000422983663 296363941 /nfs/dbraw/zinc/36/39/41/296363941.db2.gz ULRJCFHQGDEMHL-YPMHNXCESA-N 2 0 320.824 2.520 20 0 DFADRP COc1cccc([C@H](C[NH2+][C@@H](C)C2CC[NH+](C)CC2)OC)c1 ZINC000624031278 399530246 /nfs/dbraw/zinc/53/02/46/399530246.db2.gz BQXIKARIOVXACT-KSSFIOAISA-N 2 0 306.450 2.703 20 0 DFADRP Oc1ccc(CC[NH2+][C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)cc1 ZINC000422988823 296364714 /nfs/dbraw/zinc/36/47/14/296364714.db2.gz LJOOCHXBKZSKBH-AZUAARDMSA-N 2 0 324.424 2.780 20 0 DFADRP CC[C@H]([NH2+]CC1CCN(c2cc[nH+]cc2)CC1)[C@H]1CCCC[NH2+]1 ZINC000422989033 296364719 /nfs/dbraw/zinc/36/47/19/296364719.db2.gz LKOVXCGCROOHDO-RBUKOAKNSA-N 3 0 316.493 2.808 20 0 DFADRP C[C@@H]([NH3+])[C@H](Cc1ccccc1)NC1CC[NH+](C(C)(C)C)CC1 ZINC000422991952 296364923 /nfs/dbraw/zinc/36/49/23/296364923.db2.gz PEYYHXKPFVAQJM-QAPCUYQASA-N 2 0 303.494 2.797 20 0 DFADRP Cc1cn2c(n1)[C@H](C[NH2+][C@H](C)C[C@H]1CCCCC[NH2+]1)CCC2 ZINC000423004103 296366100 /nfs/dbraw/zinc/36/61/00/296366100.db2.gz JEHVFAFUEYILDE-HYVNUMGLSA-N 2 0 304.482 2.969 20 0 DFADRP C[C@H]([NH2+]Cc1cccc(COCC(F)(F)F)c1)[C@@H]1CC[NH2+]C1 ZINC000422997188 296365354 /nfs/dbraw/zinc/36/53/54/296365354.db2.gz AULDWBLXFMQTCI-SWLSCSKDSA-N 2 0 316.367 2.853 20 0 DFADRP C[C@H]([NH2+]C[C@@]1(C)COc2ccccc2O1)C1CC[NH+](C)CC1 ZINC000624041171 399533490 /nfs/dbraw/zinc/53/34/90/399533490.db2.gz LDBLAIJXVDVKRV-KSSFIOAISA-N 2 0 304.434 2.536 20 0 DFADRP CN1CC[C@H]([NH2+]C2CCC([NH3+])CC2)[C@H]1c1ccc(Cl)cc1 ZINC000423008637 296367074 /nfs/dbraw/zinc/36/70/74/296367074.db2.gz ATCRMSTYHWCIOA-SJJHQCBESA-N 2 0 307.869 2.945 20 0 DFADRP COc1ccc(OC)c(CCC[NH2+][C@H](C)[C@@H]2CCCC[NH2+]2)c1 ZINC000423009162 296367256 /nfs/dbraw/zinc/36/72/56/296367256.db2.gz CIVMFGACXBXWPC-PBHICJAKSA-N 2 0 306.450 2.757 20 0 DFADRP Cc1ccc([C@H](Cn2ccnc2)[NH2+][C@H](C)[C@@H]2CC[NH2+]C2)c(C)c1 ZINC000423006479 296366644 /nfs/dbraw/zinc/36/66/44/296366644.db2.gz VKLXEPVSUJNADM-LMMKCTJWSA-N 2 0 312.461 2.829 20 0 DFADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]CCc1c[nH]c2ncccc12 ZINC000423006485 296366859 /nfs/dbraw/zinc/36/68/59/296366859.db2.gz VKYDTICJXUVPGN-GFCCVEGCSA-N 2 0 309.417 2.618 20 0 DFADRP C[C@H](CCCC[NH3+])[NH2+]C[C@H](C)c1nc(-c2ccccc2)no1 ZINC000423014670 296367726 /nfs/dbraw/zinc/36/77/26/296367726.db2.gz PLXGFIJEYVEARU-UONOGXRCSA-N 2 0 302.422 2.947 20 0 DFADRP CN1CC[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)[C@@H]1c1ccc(F)c(F)c1 ZINC000423015929 296368081 /nfs/dbraw/zinc/36/80/81/296368081.db2.gz ANPVXJRQCMGQKP-IFBDFYPHSA-N 2 0 321.415 2.583 20 0 DFADRP CC[C@H]([NH2+][C@H](C)C[C@@H](C)[NH3+])[C@@H](c1ccc(C)cc1)n1cncn1 ZINC000423015497 296368172 /nfs/dbraw/zinc/36/81/72/296368172.db2.gz RGCQEWAHKBIWAY-XYVMCAHJSA-N 2 0 315.465 2.670 20 0 DFADRP C[C@@H]([NH2+][C@@H](C)c1cnn(Cc2ccccc2)c1)[C@@H]1CCC[NH2+]C1 ZINC000423015739 296368189 /nfs/dbraw/zinc/36/81/89/296368189.db2.gz RKFKKURBDUWASD-SOLBZPMBSA-N 2 0 312.461 2.970 20 0 DFADRP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]CCSCC(F)(F)F ZINC000423012445 296367381 /nfs/dbraw/zinc/36/73/81/296367381.db2.gz DAZWQMSEURKFIT-AAEUAGOBSA-N 2 0 306.397 2.830 20 0 DFADRP C[N@@H+]1CC[C@H]([NH2+]C[C@@H]2Cc3ccccc3CO2)[C@H]2CCC[C@H]21 ZINC000624055695 399537724 /nfs/dbraw/zinc/53/77/24/399537724.db2.gz MRABSRFVGYJZKO-ZSYWTGECSA-N 2 0 300.446 2.590 20 0 DFADRP Cc1nn(C)c(C)c1CCC[NH2+][C@H](Cc1ccccc1)[C@H](C)[NH3+] ZINC000423010957 296367554 /nfs/dbraw/zinc/36/75/54/296367554.db2.gz AKRKMNPJHZDMGP-IFXJQAMLSA-N 2 0 314.477 2.518 20 0 DFADRP CC[C@H]([NH2+][C@@H](C)CCC[NH3+])[C@@H](c1ccc(C)cc1)n1cncn1 ZINC000423011045 296367562 /nfs/dbraw/zinc/36/75/62/296367562.db2.gz ICDSQDANRHZKCP-RYQLBKOJSA-N 2 0 315.465 2.672 20 0 DFADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]C[C@@H](O)CCc1ccccc1 ZINC000423026454 296369082 /nfs/dbraw/zinc/36/90/82/296369082.db2.gz BGJODNKKMJOZTI-NEWSRXKRSA-N 2 0 304.478 2.881 20 0 DFADRP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+]C[C@@H](O)CCc1ccccc1 ZINC000423026457 296369302 /nfs/dbraw/zinc/36/93/02/296369302.db2.gz BGJODNKKMJOZTI-QRQLOZEOSA-N 2 0 304.478 2.881 20 0 DFADRP Fc1cc(N2CC[C@H]([NH2+][C@H]3CCC[NH2+]CC3)C2)ccc1Cl ZINC000423025628 296369323 /nfs/dbraw/zinc/36/93/23/296369323.db2.gz ORQODEPIGXPHHT-STQMWFEESA-N 2 0 311.832 2.790 20 0 DFADRP COc1ccccc1OC[C@H](C)C[NH2+][C@H]1CC[NH2+]CC[C@H]1C ZINC000423020868 296368453 /nfs/dbraw/zinc/36/84/53/296368453.db2.gz DAESMXYVNOIMBQ-OAGGEKHMSA-N 2 0 306.450 2.688 20 0 DFADRP CSC1CC[NH+](Cc2ccc(OCC[NH+](C)C)cc2)CC1 ZINC000602725047 399541659 /nfs/dbraw/zinc/54/16/59/399541659.db2.gz IMPDJJNMOFIRJB-UHFFFAOYSA-N 2 0 308.491 2.954 20 0 DFADRP COc1ccc(OC)c(CCC[NH2+][C@H]2CCCC[C@H]2C[NH3+])c1 ZINC000423018796 296368612 /nfs/dbraw/zinc/36/86/12/296368612.db2.gz ZTRJGFJGNWQLND-RDJZCZTQSA-N 2 0 306.450 2.744 20 0 DFADRP COc1ccc([C@H](OC)[C@@H](C)[NH2+]C2CCC(C[NH3+])CC2)cc1 ZINC000423019130 296368626 /nfs/dbraw/zinc/36/86/26/296368626.db2.gz UCXGLJQHHAFVBY-WBTBYHMDSA-N 2 0 306.450 2.878 20 0 DFADRP Cc1cccc2c1C[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@H]3CCC[C@@H]31)CO2 ZINC000624070619 399543198 /nfs/dbraw/zinc/54/31/98/399543198.db2.gz LFHWPAFYBBHEPZ-IDCNUPLLSA-N 2 0 300.446 2.761 20 0 DFADRP Fc1ccc(-c2noc(CCC[NH2+][C@H]3CCC[NH2+]CC3)n2)cc1 ZINC000423030895 296369895 /nfs/dbraw/zinc/36/98/95/296369895.db2.gz KDUMGJWSYVWXQY-HNNXBMFYSA-N 2 0 318.396 2.540 20 0 DFADRP CCN(CC)C(=O)C[C@@H](C)[NH2+]C[C@H]1CCN1C1CCCCC1 ZINC000624077387 399545465 /nfs/dbraw/zinc/54/54/65/399545465.db2.gz IYBQBBGPYAPRQZ-NVXWUHKLSA-N 2 0 309.498 2.630 20 0 DFADRP COC[C@H](CCC[NH3+])[NH2+][C@@H](C)Cc1ccccc1C(F)(F)F ZINC000423038108 296370579 /nfs/dbraw/zinc/37/05/79/296370579.db2.gz CQAXZGOHFNAOMR-JSGCOSHPSA-N 2 0 318.383 2.980 20 0 DFADRP C[C@@H]([NH2+]CCc1c[nH]c2ccc(Br)cc12)C1C[NH2+]C1 ZINC000423036752 296370665 /nfs/dbraw/zinc/37/06/65/296370665.db2.gz USEWSAWQGWANKR-SNVBAGLBSA-N 2 0 322.250 2.670 20 0 DFADRP O[C@H](CCc1ccccc1)C[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1 ZINC000423038250 296370702 /nfs/dbraw/zinc/37/07/02/296370702.db2.gz YAJHOVZZUSSMSP-UAFMIMERSA-N 2 0 316.489 2.881 20 0 DFADRP C[C@H]([NH2+][C@H]1CCN(c2ccc(F)c(Cl)c2)C1)[C@@H]1CC[NH2+]C1 ZINC000423038628 296370733 /nfs/dbraw/zinc/37/07/33/296370733.db2.gz DDZPNOPBFVTUOJ-XQQFMLRXSA-N 2 0 311.832 2.645 20 0 DFADRP Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)[NH2+][C@H](C)CCC[NH3+] ZINC000423042327 296371055 /nfs/dbraw/zinc/37/10/55/296371055.db2.gz KPEDRJADYJZREQ-ZJUUUORDSA-N 2 0 306.376 2.840 20 0 DFADRP C[C@@H]([NH2+][C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1)C1C[NH2+]C1 ZINC000423042840 296371263 /nfs/dbraw/zinc/37/12/63/296371263.db2.gz MHCLUJCZIFIBED-PWSUYJOCSA-N 2 0 314.260 2.770 20 0 DFADRP C[C@@H]([NH2+][C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1)C1C[NH2+]C1 ZINC000423042841 296371307 /nfs/dbraw/zinc/37/13/07/296371307.db2.gz MHCLUJCZIFIBED-ZYHUDNBSSA-N 2 0 314.260 2.770 20 0 DFADRP c1cc2c(s1)CCC[C@@H]2[NH2+][C@@H]1CCOC[C@H]1[C@H]1CCC[NH2+]1 ZINC000423044023 296371331 /nfs/dbraw/zinc/37/13/31/296371331.db2.gz ANNHSMFCRHPUFP-XUWVNRHRSA-N 2 0 306.475 2.872 20 0 DFADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]CCc1nn(C)c2ccccc12 ZINC000423045571 296371575 /nfs/dbraw/zinc/37/15/75/296371575.db2.gz CFKGTABHNLINPQ-ZDUSSCGKSA-N 2 0 323.444 2.629 20 0 DFADRP [NH3+][C@@H]1CCCCC[C@H]1[NH2+]CCCOCCOCc1ccccc1 ZINC000423046737 296371696 /nfs/dbraw/zinc/37/16/96/296371696.db2.gz ULYCZJGHUTYSDR-RTBURBONSA-N 2 0 320.477 2.860 20 0 DFADRP COC[C@@H](CCC[NH3+])[NH2+][C@@H](Cc1ccccn1)c1ccccc1 ZINC000423052428 296372490 /nfs/dbraw/zinc/37/24/90/296372490.db2.gz PRAJGOKOWNYMLK-MOPGFXCFSA-N 2 0 313.445 2.709 20 0 DFADRP C[C@H]([NH2+][C@@H]1C[C@@H](OCc2ccccc2)C1(C)C)[C@@H]1CC[NH2+]C1 ZINC000423053374 296372514 /nfs/dbraw/zinc/37/25/14/296372514.db2.gz RUMLZZJADGGSJW-DZOHQFGASA-N 2 0 302.462 2.958 20 0 DFADRP Cc1cccc(C[C@H](CO)[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)c1 ZINC000423053565 296372543 /nfs/dbraw/zinc/37/25/43/296372543.db2.gz ARJNPHIIAKQXGI-YSTOQKLRSA-N 2 0 316.489 2.799 20 0 DFADRP Cn1c(C[NH2+][C@@H]2CCCC[C@H]2C[NH3+])nc2cccc(Cl)c21 ZINC000423056412 296372711 /nfs/dbraw/zinc/37/27/11/296372711.db2.gz XMXZNZOFLJSPHN-WCQYABFASA-N 2 0 306.841 2.834 20 0 DFADRP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]C[C@]1(C)CCO[C@@H]1C1CC1 ZINC000423049292 296372090 /nfs/dbraw/zinc/37/20/90/296372090.db2.gz JVJBVCBHTRMANJ-FZDIXFNVSA-N 2 0 302.462 2.740 20 0 DFADRP C[NH+](C)[C@H](CN[C@H]1CCC[C@H]1[NH3+])c1cccc(C(F)(F)F)c1 ZINC000423050022 296372098 /nfs/dbraw/zinc/37/20/98/296372098.db2.gz LBKYWULSYRZNOE-QLFBSQMISA-N 2 0 315.383 2.778 20 0 DFADRP Cc1oc2ccccc2c1CC[NH2+][C@@H]1CCOC[C@H]1[C@H](C)[NH3+] ZINC000423050063 296372168 /nfs/dbraw/zinc/37/21/68/296372168.db2.gz LFCVISXZNPRDMM-AFAVFJNCSA-N 2 0 302.418 2.626 20 0 DFADRP COC[C@@H](CCC[NH3+])[NH2+]Cc1ccccc1N1CCCCC1 ZINC000423048488 296372209 /nfs/dbraw/zinc/37/22/09/296372209.db2.gz WMYUNQMWLVPCOD-QGZVFWFLSA-N 2 0 305.466 2.520 20 0 DFADRP C[C@@H]([NH2+][C@@H](C)[C@@H]1CCC[NH2+]C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000423051076 296372319 /nfs/dbraw/zinc/37/23/19/296372319.db2.gz ZTLDLFOZVFRSIC-ONCXSQPRSA-N 3 0 315.505 2.875 20 0 DFADRP Cc1cc(C(F)(F)F)ccc1C[NH2+][C@@H]1CCOC[C@H]1[C@H](C)[NH3+] ZINC000423062110 296373495 /nfs/dbraw/zinc/37/34/95/296373495.db2.gz SKYRPFNUUMADKY-TUKIKUTGSA-N 2 0 316.367 2.856 20 0 DFADRP Cc1ccccc1[C@H]([C@@H](C)NC1C[C@H]2CC[C@@H](C1)[NH2+]2)[NH+](C)C ZINC000423064661 296374204 /nfs/dbraw/zinc/37/42/04/296374204.db2.gz ZKEMFHJTAMWDQR-XZJGIMNOSA-N 2 0 301.478 2.859 20 0 DFADRP CCOC(=O)C1([C@@H](C)[NH2+]CC(C(C)C)C(C)C)CC[NH2+]CC1 ZINC000423068545 296374611 /nfs/dbraw/zinc/37/46/11/296374611.db2.gz KHYNECNKCXXLND-OAHLLOKOSA-N 2 0 312.498 2.826 20 0 DFADRP CCN1CCC([NH2+][C@H](C)c2ccc(OCC[NH+](C)C)cc2)CC1 ZINC000159259419 197340047 /nfs/dbraw/zinc/34/00/47/197340047.db2.gz AAZPLZSENNXDHN-MRXNPFEDSA-N 2 0 319.493 2.762 20 0 DFADRP CCN(CC[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1)CCC(F)(F)F ZINC000423067882 296374424 /nfs/dbraw/zinc/37/44/24/296374424.db2.gz ALTMGCQLVLYVLP-ZNMIVQPWSA-N 2 0 321.431 2.771 20 0 DFADRP CC(C)n1ncc2c1C[C@H]([NH2+][C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1)CC2 ZINC000423069550 296374436 /nfs/dbraw/zinc/37/44/36/296374436.db2.gz DUYKKBRBNXUMQE-BRSBDYLESA-N 2 0 316.493 2.832 20 0 DFADRP C[C@H](O)[C@](C)(C[NH2+][C@H]1CCCCC[C@H]1[NH3+])Cc1ccccc1 ZINC000423070159 296374559 /nfs/dbraw/zinc/37/45/59/296374559.db2.gz FQGSJQZOUMBNGU-NQYYFHDYSA-N 2 0 304.478 2.866 20 0 DFADRP C[N@H+](Cc1ccccc1)[C@@H](CN[C@@H]1CCC[NH2+]CC1)C1CC1 ZINC000423063736 296373874 /nfs/dbraw/zinc/37/38/74/296373874.db2.gz POBCBVKIFNWIOB-MOPGFXCFSA-N 2 0 301.478 2.629 20 0 DFADRP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]C[C@H]1Cc2ccccc2N(C)C1 ZINC000423064942 296374011 /nfs/dbraw/zinc/37/40/11/296374011.db2.gz ZYXSFUWYTPHNSV-ILZDJORESA-N 2 0 323.484 2.843 20 0 DFADRP CCC(O)(CC)CC[NH2+][C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423074577 296375397 /nfs/dbraw/zinc/37/53/97/296375397.db2.gz UZYJSTNZRAYEON-VQIMIIECSA-N 2 0 318.461 2.773 20 0 DFADRP C[C@H](CCCC[NH3+])[NH2+]CCCCn1cc(Br)cn1 ZINC000423081130 296376158 /nfs/dbraw/zinc/37/61/58/296376158.db2.gz BGTOISXEEAXCHO-GFCCVEGCSA-N 2 0 317.275 2.533 20 0 DFADRP CCCOc1ccc(C[NH2+][C@@H]2CCOC[C@H]2[C@H](C)[NH3+])c(C)c1 ZINC000423076155 296375505 /nfs/dbraw/zinc/37/55/05/296375505.db2.gz YGSUWTJQRGZRSL-JCGIZDLHSA-N 2 0 306.450 2.626 20 0 DFADRP C[C@@H](CCc1cccc(F)c1)[NH+]1CCC([N@H+](C)CCO)CC1 ZINC000272968747 210352548 /nfs/dbraw/zinc/35/25/48/210352548.db2.gz NVBODAJWBVKJFU-HNNXBMFYSA-N 2 0 308.441 2.535 20 0 DFADRP C[C@H](CCn1cccn1)[NH2+]Cc1ccc(F)c(C[NH+](C)C)c1 ZINC000158847090 197306015 /nfs/dbraw/zinc/30/60/15/197306015.db2.gz PGXHPQAVTNQDDL-CQSZACIVSA-N 2 0 304.413 2.652 20 0 DFADRP COc1ccc([C@@H](C)[C@H](C)[NH2+]CCCC[NH+]2CCOCC2)cc1 ZINC000158802959 197302417 /nfs/dbraw/zinc/30/24/17/197302417.db2.gz HWAUFIKQZBFNFV-IRXDYDNUSA-N 2 0 320.477 2.889 20 0 DFADRP C[C@@H](C[C@H]1CCCCC[NH2+]1)[NH2+][C@H]1CC[C@@H](C(=O)N2CCCC2)C1 ZINC000423097274 296377835 /nfs/dbraw/zinc/37/78/35/296377835.db2.gz QPCXPKFERQIBFY-MLHJIOFPSA-N 2 0 321.509 2.678 20 0 DFADRP [NH3+][C@H]1C[C@H]([NH2+]C2CCN(c3nccs3)CC2)c2ccccc21 ZINC000423095991 296377898 /nfs/dbraw/zinc/37/78/98/296377898.db2.gz GUEITMGNUSRFJO-HOTGVXAUSA-N 2 0 314.458 2.846 20 0 DFADRP CC(=O)Nc1cccc(C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C)C2)c1 ZINC000158631328 197289930 /nfs/dbraw/zinc/28/99/30/197289930.db2.gz ZQUMUMLHOSNDEM-AEFFLSMTSA-N 2 0 301.434 2.561 20 0 DFADRP CC(C)c1ccc(O[C@H](C)C[NH2+][C@@H]2CCOC[C@@H]2[C@@H](C)[NH3+])cc1 ZINC000423102260 296378668 /nfs/dbraw/zinc/37/86/68/296378668.db2.gz DSRZYEILKMSELQ-OHDICMOHSA-N 2 0 320.477 2.919 20 0 DFADRP C[C@H]([NH2+]C[C@H]1CCCC[N@H+](C)C1)c1ccc2c(c1)OCCO2 ZINC000624119720 399558932 /nfs/dbraw/zinc/55/89/32/399558932.db2.gz HZKHECUYCYRDQE-LSDHHAIUSA-N 2 0 304.434 2.840 20 0 DFADRP CC(C)(C)[N@@H+]1CC[C@H](CNC(=O)[C@H]2CCC[NH+]2C2CCCC2)C1 ZINC000616997973 399560157 /nfs/dbraw/zinc/56/01/57/399560157.db2.gz DPYXZCMDXBSCLJ-NVXWUHKLSA-N 2 0 321.509 2.630 20 0 DFADRP C[C@@H](CC(=O)N(C)c1ccccc1)[NH2+]C[C@@H]1CCCC[N@H+](C)C1 ZINC000624121625 399560276 /nfs/dbraw/zinc/56/02/76/399560276.db2.gz ZCCQZLYNLLSNEA-IRXDYDNUSA-N 2 0 317.477 2.750 20 0 DFADRP C[N@@H+]1CCCC[C@H](CN[C@H](c2ncc[nH]2)c2ccc(F)cc2)C1 ZINC000624122947 399560684 /nfs/dbraw/zinc/56/06/84/399560684.db2.gz BNFPGPPSJSNZQU-PBHICJAKSA-N 2 0 316.424 2.960 20 0 DFADRP C[C@](CO)(C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1)c1ccccc1 ZINC000423110605 296379509 /nfs/dbraw/zinc/37/95/09/296379509.db2.gz PGZUZQCLLPYDMO-IYWMVGAKSA-N 2 0 316.489 2.837 20 0 DFADRP CCC[N@@H+]1CCC[C@H]1CN[C@@H]1CC[NH2+][C@@H](c2ccccc2)C1 ZINC000423112933 296379982 /nfs/dbraw/zinc/37/99/82/296379982.db2.gz SVQCTXDVZOTIMN-CEXWTWQISA-N 2 0 301.478 2.944 20 0 DFADRP C[NH+](C)CCC1CC[NH+]([C@H](C(=O)OC(C)(C)C)C2CC2)CC1 ZINC000602765785 399561799 /nfs/dbraw/zinc/56/17/99/399561799.db2.gz ZOYICUKANVOLBU-INIZCTEOSA-N 2 0 310.482 2.770 20 0 DFADRP CC[C@H](NC[C@H](CO)c1ccccc1Cl)[C@H]1CCCC[NH2+]1 ZINC000423119929 296380798 /nfs/dbraw/zinc/38/07/98/296380798.db2.gz FXJQWXYYDQDQRU-XOKHGSTOSA-N 2 0 310.869 2.926 20 0 DFADRP CC(C)Cc1ccc([C@@H](CN[C@@H](C)C2C[NH2+]C2)[NH+](C)C)cc1 ZINC000423118511 296380858 /nfs/dbraw/zinc/38/08/58/296380858.db2.gz AXKAZMPLHBZCAL-HNAYVOBHSA-N 2 0 303.494 2.685 20 0 DFADRP C[C@H]([NH3+])[C@@H]1COCC[C@H]1[NH2+]C[C@H]1CCCC[C@H]1C(F)(F)F ZINC000423123701 296381001 /nfs/dbraw/zinc/38/10/01/296381001.db2.gz LQROWGMJTVSDAJ-MEBFFEOJSA-N 2 0 308.388 2.697 20 0 DFADRP CC(C)Oc1ccc([C@H](C[NH2+][C@H]2CCC[NH2+]CC2)N(C)C)cc1 ZINC000423121512 296381223 /nfs/dbraw/zinc/38/12/23/296381223.db2.gz IPNLHDZSFLOSDZ-HKUYNNGSSA-N 2 0 319.493 2.808 20 0 DFADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]CCCCC[NH+]1CCCC1 ZINC000423130617 296382268 /nfs/dbraw/zinc/38/22/68/296382268.db2.gz GXUUCGLEOUFJHV-HNNXBMFYSA-N 3 0 304.482 2.765 20 0 DFADRP COC[C@H]([NH2+]C[C@H]1CCC[N@H+](Cc2ccccc2)C1)C1CC1 ZINC000309641969 533093064 /nfs/dbraw/zinc/09/30/64/533093064.db2.gz CHTLPFALSHDCAJ-MJGOQNOKSA-N 2 0 302.462 2.913 20 0 DFADRP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]C[C@@H](CO)C1CCCCC1 ZINC000423129543 296381862 /nfs/dbraw/zinc/38/18/62/296381862.db2.gz FFMCFMZQKXDJQX-ZYSHUDEJSA-N 2 0 304.478 2.723 20 0 DFADRP [NH3+][C@H]1CCCCC[C@H]1[NH2+]CCc1cc(C(F)(F)F)ccn1 ZINC000423133506 296382624 /nfs/dbraw/zinc/38/26/24/296382624.db2.gz KVLNATDAOBYMBY-UONOGXRCSA-N 2 0 301.356 2.893 20 0 DFADRP c1ccc([C@H](C[NH2+][C@@H]2CCOC[C@H]2[C@H]2CCC[NH2+]2)C2CC2)cc1 ZINC000423132253 296382785 /nfs/dbraw/zinc/38/27/85/296382785.db2.gz PCHUVSFWZFFHDM-VNTMZGSJSA-N 2 0 314.473 2.927 20 0 DFADRP [NH3+]CC1CCC([NH2+]C[C@H]2CCN(c3ccccc3F)C2)CC1 ZINC000423132085 296382372 /nfs/dbraw/zinc/38/23/72/296382372.db2.gz BMFUTOXUQDNOGD-HWOWSKLDSA-N 2 0 305.441 2.759 20 0 DFADRP CCOC(=O)C1([C@@H](C)[NH2+]C[C@@H]2CCCC2(C)C)CC[NH2+]CC1 ZINC000423132656 296382480 /nfs/dbraw/zinc/38/24/80/296382480.db2.gz JRMGMFRUXVBOIQ-CABCVRRESA-N 2 0 310.482 2.724 20 0 DFADRP C[C@H]([NH2+][C@@H](C)[C@@H]1CC[NH2+]C1)c1ccc(-n2cccn2)c(F)c1 ZINC000423140521 296383948 /nfs/dbraw/zinc/38/39/48/296383948.db2.gz YVLQQTOLNQRHKS-KCQAQPDRSA-N 2 0 302.397 2.660 20 0 DFADRP CSc1ccc([C@H](C[NH2+]C2CCC([NH3+])CC2)N(C)C)cc1 ZINC000423142867 296384188 /nfs/dbraw/zinc/38/41/88/296384188.db2.gz BMNCSRBHKMGFRD-DQPZFDDXSA-N 2 0 307.507 2.871 20 0 DFADRP C[C@H]([NH3+])[C@@H]1COCC[C@H]1[NH2+][C@H]1C[C@H](c2ccccc2Cl)C1 ZINC000423145844 296384508 /nfs/dbraw/zinc/38/45/08/296384508.db2.gz MUULHQCFUXSQBI-VERFIZQUSA-N 2 0 308.853 2.928 20 0 DFADRP CCO[C@@H]1C[C@H]([NH2+][C@H](C)C[C@@H]2CCCCC[NH2+]2)[C@H]1n1cccn1 ZINC000423151005 296385337 /nfs/dbraw/zinc/38/53/37/296385337.db2.gz ZNQYHENXHGQLBF-DISONHOPSA-N 2 0 320.481 2.502 20 0 DFADRP Cc1nc(C[NH2+][C@H](C)CCCC[NH3+])sc1Br ZINC000423157643 296386152 /nfs/dbraw/zinc/38/61/52/296386152.db2.gz MUMJLCGFJMTVOW-MRVPVSSYSA-N 2 0 306.273 2.821 20 0 DFADRP CCOC(=O)C1([C@H](C)[NH2+][C@@H]2C[C@]2(CC)C(C)C)CC[NH2+]CC1 ZINC000423157054 296386254 /nfs/dbraw/zinc/38/62/54/296386254.db2.gz AAJJYGUJDLEINM-ZMSDIMECSA-N 2 0 310.482 2.722 20 0 DFADRP CCOC(=O)C1([C@H](C)[NH2+]C[C@@H]2CCC[C@H]2CC)CC[NH2+]CC1 ZINC000423163472 296387059 /nfs/dbraw/zinc/38/70/59/296387059.db2.gz VMXNICAEGFCSLR-XHSDSOJGSA-N 2 0 310.482 2.724 20 0 DFADRP CC[C@H]([NH2+][C@@H]1CCO[C@@H](c2ccccn2)C1)[C@H]1CCCC[NH2+]1 ZINC000423161364 296387084 /nfs/dbraw/zinc/38/70/84/296387084.db2.gz NOUDUOYDYXRWBE-KYHPRHEASA-N 2 0 303.450 2.812 20 0 DFADRP C[C@H]([NH2+]CCOc1ccc(Cl)c(Cl)c1)[C@@H]1CC[NH2+]C1 ZINC000423159685 296386462 /nfs/dbraw/zinc/38/64/62/296386462.db2.gz PSDDCLIYMKIDJR-WDEREUQCSA-N 2 0 303.233 2.960 20 0 DFADRP C[C@H]([NH3+])[C@@H]1COCC[C@H]1[NH2+][C@@H]1C[C@H]1c1c(F)cccc1Cl ZINC000423172195 296387602 /nfs/dbraw/zinc/38/76/02/296387602.db2.gz RTBQNWNDIRUAED-GLRJYAJPSA-N 2 0 312.816 2.677 20 0 DFADRP OC[C@H](C[NH2+][C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1)c1ccc(F)cc1 ZINC000423174025 296388096 /nfs/dbraw/zinc/38/80/96/296388096.db2.gz AZWKKBHKXSRZKD-GDAAHCPNSA-N 2 0 320.452 2.802 20 0 DFADRP C[C@@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]CC(C)(C)C1(O)CCCC1 ZINC000423168333 296387387 /nfs/dbraw/zinc/38/73/87/296387387.db2.gz UJWMTEXSBJXGJW-NVXWUHKLSA-N 2 0 304.478 2.866 20 0 DFADRP CC(C)Cc1cccc([C@@H](C)[NH2+]CCCN2CC[NH2+]CC2)c1 ZINC000423180119 296389056 /nfs/dbraw/zinc/38/90/56/296389056.db2.gz IDWHUMICAUQRAE-QGZVFWFLSA-N 2 0 303.494 2.831 20 0 DFADRP c1csc([C@H]([NH2+]CCCN2CC[NH2+]CC2)C2CCCC2)c1 ZINC000423175897 296388263 /nfs/dbraw/zinc/38/82/63/296388263.db2.gz FNAAKDBMJBVTQG-QGZVFWFLSA-N 2 0 307.507 2.864 20 0 DFADRP COc1cccc2c1C[C@H]([NH2+][C@H](Cc1ccccc1)[C@@H](C)[NH3+])C2 ZINC000423173619 296388307 /nfs/dbraw/zinc/38/83/07/296388307.db2.gz ZLEMFVSTFRWYIW-LSBZLQRGSA-N 2 0 310.441 2.711 20 0 DFADRP C[C@@H]([NH2+]CCCN1CC[NH2+]CC1)c1ccc(F)c2ccccc21 ZINC000423178738 296388524 /nfs/dbraw/zinc/38/85/24/296388524.db2.gz GMPQBGFNDUHITP-OAHLLOKOSA-N 2 0 315.436 2.925 20 0 DFADRP C[C@H]([NH2+]CCC[NH3+])c1ccc(OC(F)F)cc1OC(F)F ZINC000423179607 296388864 /nfs/dbraw/zinc/38/88/64/296388864.db2.gz MQVNYRGQIDPELZ-QMMMGPOBSA-N 2 0 310.291 2.889 20 0 DFADRP CC(C)(C)[N@@H+]1CC[C@H]1CNC(=O)[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC000617011492 399572433 /nfs/dbraw/zinc/57/24/33/399572433.db2.gz GDZFNAVRBMOYQZ-WBVHZDCISA-N 2 0 321.509 2.630 20 0 DFADRP Cc1cccc(C[N@@H+](C)CC2CC[NH+](C[C@H](C)O)CC2)c1F ZINC000294654143 224145605 /nfs/dbraw/zinc/14/56/05/224145605.db2.gz BPNJRMGRBXKZHR-HNNXBMFYSA-N 2 0 308.441 2.659 20 0 DFADRP c1ccc(C[N@@H+]2C[C@@H]3CCC[C@H](N[C@H]4CCC[NH2+]C4)[C@@H]3C2)cc1 ZINC000423195144 296390688 /nfs/dbraw/zinc/39/06/88/296390688.db2.gz SHPWNHIPHGWURQ-HAGHYFMRSA-N 3 0 313.489 2.629 20 0 DFADRP CC[C@H](NCCC[NH2+]Cc1cccnc1)c1ccc(F)cn1 ZINC000423193346 296390731 /nfs/dbraw/zinc/39/07/31/296390731.db2.gz XEZOAFDZYVMEBF-INIZCTEOSA-N 2 0 302.397 2.836 20 0 DFADRP c1ccc(C[N@@H+]2CC[C@H](NC3CC[NH2+]CC3)[C@H]3CCC[C@H]32)cc1 ZINC000423194767 296390842 /nfs/dbraw/zinc/39/08/42/296390842.db2.gz YSKOEUXOWTVWRQ-HSALFYBXSA-N 3 0 313.489 2.771 20 0 DFADRP C[C@@H](C[NH2+][C@@H](C)c1cccc(OCC[NH+](C)C)c1)C[C@H](C)O ZINC000157639691 197204135 /nfs/dbraw/zinc/20/41/35/197204135.db2.gz BLAKIKWWALVVLR-PMPSAXMXSA-N 2 0 308.466 2.685 20 0 DFADRP c1ccc([C@@H]([NH2+]CCN2CC[NH2+]CC2)C2CCCCC2)cc1 ZINC000423200489 296391818 /nfs/dbraw/zinc/39/18/18/296391818.db2.gz FVMOJJPGOIWULG-LJQANCHMSA-N 2 0 301.478 2.803 20 0 DFADRP CCc1c2ccccc2oc1[C@@H](C)[NH2+]CCCN1CC[NH2+]CC1 ZINC000423195574 296391125 /nfs/dbraw/zinc/39/11/25/296391125.db2.gz ZLGPHYDIDVARRJ-OAHLLOKOSA-N 2 0 315.461 2.941 20 0 DFADRP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1[NH2+]CC1(c2c(F)cccc2F)CCC1 ZINC000423195688 296391151 /nfs/dbraw/zinc/39/11/51/296391151.db2.gz YBYSBDLPSKWRKN-XEZPLFJOSA-N 2 0 324.415 2.728 20 0 DFADRP CC[C@H]([NH2+]CCN1CC[NH2+]CC1)c1ccc(Cl)cc1Cl ZINC000423199526 296391519 /nfs/dbraw/zinc/39/15/19/296391519.db2.gz BUAYDZFSHKUMQP-HNNXBMFYSA-N 2 0 316.276 2.939 20 0 DFADRP Clc1ccc(C[C@H]2CCC[C@@H]2[NH2+]CCN2CC[NH2+]CC2)cc1 ZINC000423203473 296392167 /nfs/dbraw/zinc/39/21/67/296392167.db2.gz MVNMJJFBQDLUAL-AEFFLSMTSA-N 2 0 321.896 2.546 20 0 DFADRP COc1ccc(C[C@H](C)[NH2+][C@@H](C)[C@@H]2CCC[NH2+]C2)c(C)c1OC ZINC000423212348 296392973 /nfs/dbraw/zinc/39/29/73/296392973.db2.gz IFOYKFCNFATPGB-JLJPHGGASA-N 2 0 320.477 2.921 20 0 DFADRP Cc1cc2cc([C@@H](C)[NH2+]CCN3CC[NH2+]CC3)oc2cc1C ZINC000423211440 296392749 /nfs/dbraw/zinc/39/27/49/296392749.db2.gz YEFINESWHILYGX-OAHLLOKOSA-N 2 0 301.434 2.605 20 0 DFADRP Cc1ccc([C@H]([NH2+]CCN2CC[NH2+]CC2)C2CCCC2)cc1 ZINC000423200893 296392073 /nfs/dbraw/zinc/39/20/73/296392073.db2.gz GVOSAYGERZNJCG-LJQANCHMSA-N 2 0 301.478 2.721 20 0 DFADRP COc1ccc(C[C@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)c(C)c1OC ZINC000423214091 296393184 /nfs/dbraw/zinc/39/31/84/296393184.db2.gz LVSPHXADQANYSP-QIXHYMPYSA-N 2 0 318.461 2.816 20 0 DFADRP Cc1c([C@@H](C)[NH2+]C2CCC([NH3+])CC2)nnn1-c1ccc(F)cc1 ZINC000423215798 296393348 /nfs/dbraw/zinc/39/33/48/296393348.db2.gz NNPQRTKUIDQZOB-VCANKDNSSA-N 2 0 317.412 2.635 20 0 DFADRP Cc1c([C@H](C)[NH2+]C2CCC([NH3+])CC2)nnn1-c1ccc(F)cc1 ZINC000423215796 296393492 /nfs/dbraw/zinc/39/34/92/296393492.db2.gz NNPQRTKUIDQZOB-QGLTVNCISA-N 2 0 317.412 2.635 20 0 DFADRP CC(C)NC(=O)Nc1ccc([C@@H](C)[NH2+]C[C@H]2CCC[NH2+]C2)cc1 ZINC000423218462 296393704 /nfs/dbraw/zinc/39/37/04/296393704.db2.gz VPBLXGHWYXAGQX-CABCVRRESA-N 2 0 318.465 2.867 20 0 DFADRP C[C@@H]([NH3+])CC[NH2+][C@H](C)c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000423225740 296394278 /nfs/dbraw/zinc/39/42/78/296394278.db2.gz OAQNLNAQTGKUCO-ZIAGYGMSSA-N 2 0 324.490 2.791 20 0 DFADRP COc1ccc([C@@H](C)[NH2+]CC[C@H](C)[NH3+])cc1Br ZINC000423222729 296394282 /nfs/dbraw/zinc/39/42/82/296394282.db2.gz CHBRVBNSKBGEKO-VHSXEESVSA-N 2 0 301.228 2.846 20 0 DFADRP C[C@@H]([NH3+])CC[NH2+][C@H]1CCCOc2c(Br)cccc21 ZINC000423224114 296394291 /nfs/dbraw/zinc/39/42/91/296394291.db2.gz IGGJSROPAWRDLB-MFKMUULPSA-N 2 0 313.239 2.990 20 0 DFADRP C[C@@H]([NH3+])CC[NH2+][C@@H]1CCc2c1cc(Br)cc2F ZINC000423225466 296394362 /nfs/dbraw/zinc/39/43/62/296394362.db2.gz MWWLXZUAAPULDR-AMIZOPFISA-N 2 0 301.203 2.902 20 0 DFADRP C[C@@H]([NH3+])CC[NH2+][C@@H]1CCCOc2ccc(Br)cc21 ZINC000423225192 296394367 /nfs/dbraw/zinc/39/43/67/296394367.db2.gz LQYWTUWYIFPABU-ZWNOBZJWSA-N 2 0 313.239 2.990 20 0 DFADRP Brc1cccc2c1C[C@H]([NH2+]CC[C@@H]1CC[NH2+]C1)CC2 ZINC000423239552 296395915 /nfs/dbraw/zinc/39/59/15/296395915.db2.gz BINUMASPKMJGLP-GXTWGEPZSA-N 2 0 323.278 2.896 20 0 DFADRP CC(C)[C@@H]([NH2+]CC[C@H]1CC[NH2+]C1)c1ccc2[nH]c(=O)oc2c1 ZINC000423238367 296396022 /nfs/dbraw/zinc/39/60/22/296396022.db2.gz ABZSARLSGRQJNO-MLGOLLRUSA-N 2 0 303.406 2.820 20 0 DFADRP CC[NH2+]CCN[C@@H]1CCCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000423235932 296395531 /nfs/dbraw/zinc/39/55/31/296395531.db2.gz NSCPEGJAEPHOGG-HSALFYBXSA-N 2 0 315.505 2.876 20 0 DFADRP c1ccc(C[N@H+]2C[C@@H]3CCC[C@H](NC[C@@H]4CCC[NH2+]4)[C@H]3C2)cc1 ZINC000423246635 296396677 /nfs/dbraw/zinc/39/66/77/296396677.db2.gz ZOVLMESHCHBWFD-MUGJNUQGSA-N 2 0 313.489 2.629 20 0 DFADRP C[C@@H](Cc1ccccc1)[NH+]1CCC([NH2+]CC[C@H]2CC[NH2+]C2)CC1 ZINC000423250890 296396751 /nfs/dbraw/zinc/39/67/51/296396751.db2.gz REFSAPKCSOKRCY-PKOBYXMFSA-N 3 0 315.505 2.671 20 0 DFADRP C[C@@H]1[C@@H]([NH2+]CC[C@H]2CC[NH2+]C2)CCCN1Cc1ccccc1 ZINC000423247708 296396895 /nfs/dbraw/zinc/39/68/95/296396895.db2.gz LPGUOHASASGWID-LMMKCTJWSA-N 2 0 301.478 2.629 20 0 DFADRP Brc1ccc2c(c1)CC[C@@H]([NH2+]CC[C@@H]1CC[NH2+]C1)C2 ZINC000423254717 296396988 /nfs/dbraw/zinc/39/69/88/296396988.db2.gz ZGUURGZFDDAELT-BLLLJJGKSA-N 2 0 323.278 2.896 20 0 DFADRP C[C@H]([NH2+]CC[C@H]1CCC[NH2+]C1)c1cccc(OCC[NH+](C)C)c1 ZINC000423256236 296397331 /nfs/dbraw/zinc/39/73/31/296397331.db2.gz DQIWMFOQWJHWGC-DLBZAZTESA-N 3 0 319.493 2.667 20 0 DFADRP COc1cc(NC(C)=O)ccc1[C@@H](C)[NH2+]CC[C@H]1CCC[NH2+]C1 ZINC000423256047 296397498 /nfs/dbraw/zinc/39/74/98/296397498.db2.gz DGHBHOIJXDMSOI-UKRRQHHQSA-N 2 0 319.449 2.694 20 0 DFADRP Cn1ccnc1[C@H]([NH2+]CC[C@H]1CCC[NH2+]C1)c1cccc(F)c1 ZINC000423261708 296398005 /nfs/dbraw/zinc/39/80/05/296398005.db2.gz SSEGMUWPBQUXAX-RHSMWYFYSA-N 2 0 316.424 2.628 20 0 DFADRP COc1cc(C)c(C[C@H](C)[NH2+][C@H]2CCC[C@H]2C[NH3+])cc1OC ZINC000423270275 296399200 /nfs/dbraw/zinc/39/92/00/296399200.db2.gz IAGDNKYWVCPEIL-DZKIICNBSA-N 2 0 306.450 2.660 20 0 DFADRP OCC[NH+]1CCC(C[NH2+]C2CC(c3cc(F)cc(F)c3)C2)CC1 ZINC000347835583 285196785 /nfs/dbraw/zinc/19/67/85/285196785.db2.gz XOQDLZDAVOMOIC-UHFFFAOYSA-N 2 0 324.415 2.505 20 0 DFADRP C[NH2+]C[C@H](C)CN[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000423274577 296399503 /nfs/dbraw/zinc/39/95/03/296399503.db2.gz MBSLVPSXSONVDI-MTFMMBMASA-N 2 0 315.505 2.875 20 0 DFADRP Cc1nn(C)c2sc([C@H](C)[NH2+]CC[C@H]3CCC[NH2+]C3)cc12 ZINC000423267484 296398545 /nfs/dbraw/zinc/39/85/45/296398545.db2.gz FFSWUBQBQGAQBW-QWHCGFSZSA-N 2 0 306.479 2.984 20 0 DFADRP COc1ccc(C2CCC([NH2+]CCOCCC[NH3+])CC2)cc1 ZINC000629401996 399594173 /nfs/dbraw/zinc/59/41/73/399594173.db2.gz XJWUWGGDHHUFFE-UHFFFAOYSA-N 2 0 306.450 2.676 20 0 DFADRP CN1CC[C@H]([NH2+]CC[C@@H]2CCC[NH2+]C2)C[C@H]1c1ccccc1 ZINC000423277900 296399991 /nfs/dbraw/zinc/39/99/91/296399991.db2.gz QKGFBAQTHZPWJO-WDSOQIARSA-N 2 0 301.478 2.801 20 0 DFADRP C[C@H]([NH2+][C@H]1CCCC[C@H]1C[NH3+])c1ccc(C(=O)N(C)C)cc1 ZINC000423278061 296400226 /nfs/dbraw/zinc/40/02/26/296400226.db2.gz PCSIQRHEVFGDIJ-JQFCIGGWSA-N 2 0 303.450 2.557 20 0 DFADRP CC(C)(C)C1CCC([NH2+]Cc2cn([C@H]3CC[NH2+]C3)nn2)CC1 ZINC000629417140 399597499 /nfs/dbraw/zinc/59/74/99/399597499.db2.gz NJKMGALJFIWNSL-XUJLQICISA-N 2 0 305.470 2.507 20 0 DFADRP CCC(C)(C)C1CCC([NH2+]Cc2cn([C@@H]3CC[NH2+]C3)nn2)CC1 ZINC000629420050 399598791 /nfs/dbraw/zinc/59/87/91/399598791.db2.gz RNCVUQFVBPMGEF-VMBOVVBDSA-N 2 0 319.497 2.897 20 0 DFADRP C[C@@H](Oc1ccc(Cl)cc1Cl)[C@H](C)[NH2+]CC1C[NH2+]C1 ZINC000423300958 296402474 /nfs/dbraw/zinc/40/24/74/296402474.db2.gz GGGLVUMPMAPZRB-VHSXEESVSA-N 2 0 303.233 2.958 20 0 DFADRP COc1ccc([C@@H](C)[NH2+]CC2(C)CC[NH2+]CC2)cc1NC(C)=O ZINC000423318096 296403546 /nfs/dbraw/zinc/40/35/46/296403546.db2.gz CBMCDRJCPITVDQ-CYBMUJFWSA-N 2 0 319.449 2.694 20 0 DFADRP C[C@@H]([NH2+]C[C@]1(C)CCC[NH2+]C1)c1cccc(N2CCCC2=O)c1 ZINC000423320022 296403911 /nfs/dbraw/zinc/40/39/11/296403911.db2.gz DYJKKVGOXKKUHX-DNVCBOLYSA-N 2 0 315.461 2.854 20 0 DFADRP C[C@@H](Cc1ccccc1)[NH+]1CCC(NCC2([NH3+])CCC2)CC1 ZINC000423324306 296404373 /nfs/dbraw/zinc/40/43/73/296404373.db2.gz ITKCIDXOXPBNNW-INIZCTEOSA-N 2 0 301.478 2.553 20 0 DFADRP COc1cc2c(cc1OC)[C@@H]([NH2+]CC1(C)CC[NH2+]CC1)CC2 ZINC000423325208 296404512 /nfs/dbraw/zinc/40/45/12/296404512.db2.gz JEYVNKBUJXRNBL-HNNXBMFYSA-N 2 0 304.434 2.670 20 0 DFADRP COC[C@@H](CC(C)C)[NH2+]CCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000358035329 285218288 /nfs/dbraw/zinc/21/82/88/285218288.db2.gz IHNZRJBXYYACKJ-IXDOHACOSA-N 2 0 300.487 2.527 20 0 DFADRP C[C@@H]([NH2+]C[C@@H]1CC[NH2+]C1)c1ccc(F)c(Br)c1 ZINC000423347015 296406862 /nfs/dbraw/zinc/40/68/62/296406862.db2.gz QMRHIBSWLJTIAO-NXEZZACHSA-N 2 0 301.203 2.848 20 0 DFADRP Brc1ccc2c(c1)CC[C@@H]([NH2+]C[C@@H]1CC[NH2+]C1)C2 ZINC000423347130 296406948 /nfs/dbraw/zinc/40/69/48/296406948.db2.gz QSQIQPCKGVFFBY-IAQYHMDHSA-N 2 0 309.251 2.506 20 0 DFADRP Brc1cccc2c1C[C@H]([NH2+]C[C@@H]1CC[NH2+]C1)CC2 ZINC000423346975 296407125 /nfs/dbraw/zinc/40/71/25/296407125.db2.gz QLHCFPUXTYOILS-DGCLKSJQSA-N 2 0 309.251 2.506 20 0 DFADRP COc1ccc(CCC[NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)cc1OC ZINC000155193176 197031666 /nfs/dbraw/zinc/03/16/66/197031666.db2.gz ICFKLQWHVYHGIG-ZBFHGGJFSA-N 2 0 306.450 2.709 20 0 DFADRP C[C@H](CNC(=O)c1ccc([C@H](C)[NH3+])cc1)[NH+]1CCC(C)CC1 ZINC000423361265 296408477 /nfs/dbraw/zinc/40/84/77/296408477.db2.gz RJVCAGUITTZASO-CABCVRRESA-N 2 0 303.450 2.557 20 0 DFADRP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@H](C)c1cnc2ccsc2c1 ZINC000155074706 197020095 /nfs/dbraw/zinc/02/00/95/197020095.db2.gz DUCSSGLSHSDIKI-ZIAGYGMSSA-N 2 0 318.490 2.583 20 0 DFADRP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@@H]1CCCCc2ccccc21 ZINC000155078390 197019583 /nfs/dbraw/zinc/01/95/83/197019583.db2.gz GRYGBQXICBJOIV-VQIMIIECSA-N 2 0 301.478 2.680 20 0 DFADRP C[C@@H](CN1CC[NH+](C)CC1)[NH2+][C@@H](C)c1cnc2ccsc2c1 ZINC000155074387 197019448 /nfs/dbraw/zinc/01/94/48/197019448.db2.gz DUCSSGLSHSDIKI-KBPBESRZSA-N 2 0 318.490 2.583 20 0 DFADRP COCCOc1ccc([C@@H](C)[NH2+]CC[C@H]2CCC[NH2+]2)cc1OC ZINC000423375051 296410332 /nfs/dbraw/zinc/41/03/32/296410332.db2.gz XKGJBQMHUAFYBE-GDBMZVCRSA-N 2 0 322.449 2.513 20 0 DFADRP C[C@H](Cc1cnccn1)[NH2+][C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000347900296 285232775 /nfs/dbraw/zinc/23/27/75/285232775.db2.gz JMLQZCYXZDJIBR-ZIFCJYIRSA-N 2 0 324.472 2.908 20 0 DFADRP CC[C@H]([NH2+]C[C@@H](N1CC[NH2+]CC1)C(F)(F)F)c1ccsc1 ZINC000423383082 296410943 /nfs/dbraw/zinc/41/09/43/296410943.db2.gz GNAWWEZNLCNDFC-QWHCGFSZSA-N 2 0 321.412 2.625 20 0 DFADRP COc1ccc([C@H](C)[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)cc1OC ZINC000318886910 533173983 /nfs/dbraw/zinc/17/39/83/533173983.db2.gz NQZHETFOBZUBJT-IMJJTQAJSA-N 2 0 304.434 2.981 20 0 DFADRP C[C@H]([NH2+][C@@H]1CCC[C@@H]([NH3+])C1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000423384340 296411015 /nfs/dbraw/zinc/41/10/15/296411015.db2.gz KYODCTODYIKHLR-DXCKQFNASA-N 2 0 316.449 2.891 20 0 DFADRP COc1ccc([C@H](C)[C@H](C)[NH2+][C@@H]2CC[NH2+]C[C@@H]2C)cc1OC ZINC000423394639 296412095 /nfs/dbraw/zinc/41/20/95/296412095.db2.gz MVNABYGWUVANDW-KNCOVGOOSA-N 2 0 306.450 2.783 20 0 DFADRP C[C@@H]([NH2+]C[C@@H](N1CC[NH2+]CC1)C(F)(F)F)C1CCCCCC1 ZINC000423388481 296411854 /nfs/dbraw/zinc/41/18/54/296411854.db2.gz MUBNBYKENRTBCM-UKRRQHHQSA-N 2 0 321.431 2.771 20 0 DFADRP O[C@@H]1CCN(CC[NH2+][C@H]2CC[C@H](c3cccc(Cl)c3)C2)C1 ZINC000624231085 399607135 /nfs/dbraw/zinc/60/71/35/399607135.db2.gz PERHMYAJPCIWKL-BHYGNILZSA-N 2 0 308.853 2.632 20 0 DFADRP COCC1(C[NH2+][C@H](Cc2ccccc2)C2CC2)CC[NH2+]CC1 ZINC000423406278 296412996 /nfs/dbraw/zinc/41/29/96/296412996.db2.gz KJGCHSWNYADKQJ-GOSISDBHSA-N 2 0 302.462 2.614 20 0 DFADRP COc1ccc(CC[C@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc1O ZINC000294724901 224194970 /nfs/dbraw/zinc/19/49/70/224194970.db2.gz CWSAOWSLLVKYND-LNRIEFBSSA-N 2 0 318.461 2.937 20 0 DFADRP C[C@H]([NH3+])c1ccc(C(=O)N2CCC[C@@H]([NH+]3CCCC3)CC2)cc1 ZINC000423415878 296414836 /nfs/dbraw/zinc/41/48/36/296414836.db2.gz BMPGALBTADIMDA-MAUKXSAKSA-N 2 0 315.461 2.797 20 0 DFADRP C[C@H]([NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1)c1ccc(-n2cccn2)cc1 ZINC000423428893 296415887 /nfs/dbraw/zinc/41/58/87/296415887.db2.gz GVLSUDQVRVYJEO-ZOCIIQOWSA-N 2 0 310.445 2.911 20 0 DFADRP C[C@H]([NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1)c1ccc2c(c1)OCCCO2 ZINC000423428746 296415840 /nfs/dbraw/zinc/41/58/40/296415840.db2.gz GRLWORLBIPGTCU-RRQGHBQHSA-N 2 0 316.445 2.887 20 0 DFADRP [NH3+][C@@H](CC1CCCCC1)C(=O)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000423430357 296416088 /nfs/dbraw/zinc/41/60/88/296416088.db2.gz UHMITFNLTFECFS-ROUUACIJSA-N 2 0 321.509 2.761 20 0 DFADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)[C@H]1CCC(C)(C)C1 ZINC000359040428 285247909 /nfs/dbraw/zinc/24/79/09/285247909.db2.gz KYICQEAPEGMPJB-DLBZAZTESA-N 2 0 323.525 2.687 20 0 DFADRP C[C@@H](CCCC[NH3+])[NH2+][C@@H](c1cnn(C)c1)c1cccc(F)c1 ZINC000423438645 296416669 /nfs/dbraw/zinc/41/66/69/296416669.db2.gz ROJYXDNFLIYZBR-SUMWQHHRSA-N 2 0 304.413 2.756 20 0 DFADRP C[NH+]1CCC2(CC[N@@H+]([C@H](C(=O)OC(C)(C)C)C3CC3)C2)CC1 ZINC000602877954 399612749 /nfs/dbraw/zinc/61/27/49/399612749.db2.gz MMIUQXLPGSKCAB-HNNXBMFYSA-N 2 0 308.466 2.524 20 0 DFADRP COC(=O)c1ccc([C@H](C)[N@@H+]2CCC3(C2)CC[NH+](C)CC3)o1 ZINC000602877070 399612770 /nfs/dbraw/zinc/61/27/70/399612770.db2.gz LKRWGRQQBULBPP-ZDUSSCGKSA-N 2 0 306.406 2.545 20 0 DFADRP C[NH+]1CCN(C(C)(C)C[NH2+][C@H]2CCCc3sccc32)CC1 ZINC000061325436 542455204 /nfs/dbraw/zinc/45/52/04/542455204.db2.gz ALCCFXIOSLEPHW-HNNXBMFYSA-N 2 0 307.507 2.741 20 0 DFADRP Cc1nccn1CCC[NH2+][C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000347931214 285252954 /nfs/dbraw/zinc/25/29/54/285252954.db2.gz KUTANTXPSWQTRB-RDJZCZTQSA-N 2 0 304.482 2.824 20 0 DFADRP CC(C)NC(=O)Nc1ccc([C@@H](C)[NH2+][C@H](C)CCC[NH3+])cc1 ZINC000423471785 296419487 /nfs/dbraw/zinc/41/94/87/296419487.db2.gz ZTCGKKUBHDNKAF-ZIAGYGMSSA-N 2 0 306.454 2.995 20 0 DFADRP CCO[C@@H]1C[C@H]([NH2+]C[C@@H]2CCC[C@H]([NH3+])C2)[C@H]1Oc1ccccc1 ZINC000423475002 296419802 /nfs/dbraw/zinc/41/98/02/296419802.db2.gz POFVKDXJZGNZNB-UWAKZDDMSA-N 2 0 318.461 2.719 20 0 DFADRP COCCc1nc(C)c([C@H](C)[NH2+]C[C@H]2CCC[C@@H]([NH3+])C2)s1 ZINC000423477994 296420023 /nfs/dbraw/zinc/42/00/23/296420023.db2.gz SUUMXGIFCQDZKB-FPMFFAJLSA-N 2 0 311.495 2.809 20 0 DFADRP C[C@H]([NH2+]CCC[C@H]1CCC[NH2+]1)c1cccc(N2CCCC2=O)c1 ZINC000423469601 296419180 /nfs/dbraw/zinc/41/91/80/296419180.db2.gz CUTKVOLBRMBGPK-RDJZCZTQSA-N 2 0 315.461 2.996 20 0 DFADRP Cn1ccnc1[C@H]([NH2+]CCC[C@@H]1CCC[NH2+]1)c1cccc(F)c1 ZINC000423481274 296420791 /nfs/dbraw/zinc/42/07/91/296420791.db2.gz NYRFBEPOHHDXRA-DLBZAZTESA-N 2 0 316.424 2.770 20 0 DFADRP Cc1noc(CCC[NH2+][C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)n1 ZINC000347943320 285261373 /nfs/dbraw/zinc/26/13/73/285261373.db2.gz WQLQFPIDOXRAOI-UKRRQHHQSA-N 2 0 306.454 2.553 20 0 DFADRP C[C@@H]([NH2+]CCC[C@@H]1CCC[NH2+]1)c1cccc(N2CCOCC2)c1 ZINC000423490962 296421595 /nfs/dbraw/zinc/42/15/95/296421595.db2.gz YFDFWRNSNUKYJB-SJLPKXTDSA-N 2 0 317.477 2.706 20 0 DFADRP C[C@H]([NH2+]C[C@H]1C[NH2+]CCCO1)C1CCC(C(F)(F)F)CC1 ZINC000423490889 296421642 /nfs/dbraw/zinc/42/16/42/296421642.db2.gz ISPHSSAZKWOQSV-GFJIZPEISA-N 2 0 308.388 2.712 20 0 DFADRP C[C@@H]1C[C@@H]([NH2+]CC2(N)CC[NH+](Cc3ccccc3)CC2)[C@H]1C ZINC000423517667 296425440 /nfs/dbraw/zinc/42/54/40/296425440.db2.gz BSPIGDJFTIWSCP-SOLBZPMBSA-N 2 0 301.478 2.614 20 0 DFADRP C[C@H](CCc1ccc2c(c1)OCO2)[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000423538518 296427839 /nfs/dbraw/zinc/42/78/39/296427839.db2.gz GNZYFGDUZBPPIC-MWQQHZPXSA-N 2 0 316.445 2.714 20 0 DFADRP COc1cc2c(cc1OC)[C@@H]([NH2+]CCC1=CC[NH2+]CC1)CC2 ZINC000423544456 296428312 /nfs/dbraw/zinc/42/83/12/296428312.db2.gz WQFSLTXMWCBJRC-INIZCTEOSA-N 2 0 302.418 2.591 20 0 DFADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)[C@@H]1CCC(C)(C)C1 ZINC000359040434 285279149 /nfs/dbraw/zinc/27/91/49/285279149.db2.gz KYICQEAPEGMPJB-SJORKVTESA-N 2 0 323.525 2.687 20 0 DFADRP CCc1nc(C)c([C@@H](C)[NH2+]C[C@@H](C)CN2CC[NH+](C)CC2)s1 ZINC000120803988 195240806 /nfs/dbraw/zinc/24/08/06/195240806.db2.gz AFKOCXMPOLVAOP-ZIAGYGMSSA-N 2 0 324.538 2.548 20 0 DFADRP CCc1nc(C)c([C@H](C)[NH2+]C[C@@H](C)CN2CC[NH+](C)CC2)s1 ZINC000120804161 195241037 /nfs/dbraw/zinc/24/10/37/195241037.db2.gz AFKOCXMPOLVAOP-KGLIPLIRSA-N 2 0 324.538 2.548 20 0 DFADRP C[C@H](Cc1ccccc1)[NH+]1CCC(NCCC[NH2+]C2CC2)CC1 ZINC000423561135 296429476 /nfs/dbraw/zinc/42/94/76/296429476.db2.gz PVGHWECZODHJKA-QGZVFWFLSA-N 2 0 315.505 2.814 20 0 DFADRP Cc1cc([C@@H](C)[NH2+]C[C@@H](C)CN2CC[NH+](C)CC2)c(C)s1 ZINC000120822941 195243973 /nfs/dbraw/zinc/24/39/73/195243973.db2.gz UPECJOYMJGWHRO-UKRRQHHQSA-N 2 0 309.523 2.899 20 0 DFADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1cscc1C ZINC000267290399 285281853 /nfs/dbraw/zinc/28/18/53/285281853.db2.gz ZOWWEYNXGKHUHR-HNNXBMFYSA-N 2 0 323.506 2.545 20 0 DFADRP CCc1ccccc1NC(=O)C[C@@H](C)[NH2+]CCC1=CC[NH2+]CC1 ZINC000423561841 296429736 /nfs/dbraw/zinc/42/97/36/296429736.db2.gz QGRBOHYIKMBSTM-OAHLLOKOSA-N 2 0 315.461 2.866 20 0 DFADRP C[C@@H]([NH2+]Cc1ccc[nH]c1=O)c1cccc(OCC[NH+](C)C)c1 ZINC000624257718 399617857 /nfs/dbraw/zinc/61/78/57/399617857.db2.gz NWKHUGGNRNOALH-CQSZACIVSA-N 2 0 315.417 2.578 20 0 DFADRP COCCOc1ccc([C@H](C)[NH2+]CCC2=CC[NH2+]CC2)cc1 ZINC000423569267 296430104 /nfs/dbraw/zinc/43/01/04/296430104.db2.gz VZVWVSXXZQTVQB-HNNXBMFYSA-N 2 0 304.434 2.672 20 0 DFADRP [NH3+]C[C@H](NC(=O)C12CCC[NH+]1CCC2)c1ccc2ccccc2c1 ZINC000423592324 296431399 /nfs/dbraw/zinc/43/13/99/296431399.db2.gz DIHSHYIURUTBGN-SFHVURJKSA-N 2 0 323.440 2.584 20 0 DFADRP OC[C@H]1CCC[N@@H+]1CCCC[NH2+][C@H]1CCc2c1cccc2F ZINC000268945613 285290522 /nfs/dbraw/zinc/29/05/22/285290522.db2.gz UFJCFLJSJMUZNQ-KDOFPFPSSA-N 2 0 306.425 2.640 20 0 DFADRP CCC[C@@H](C(=O)N[C@@H](C[NH3+])c1ccc2ccccc2c1)[NH+](C)C ZINC000423612803 296433800 /nfs/dbraw/zinc/43/38/00/296433800.db2.gz OQXUKCFTGFVGAG-ROUUACIJSA-N 2 0 313.445 2.686 20 0 DFADRP CC(C)[C@H](C(=O)N[C@@H](C[NH3+])c1ccc2ccccc2c1)[C@H](C)[NH3+] ZINC000423614614 296434049 /nfs/dbraw/zinc/43/40/49/296434049.db2.gz QOBQOVWKOHHSOH-KKXDTOCCSA-N 2 0 313.445 2.575 20 0 DFADRP C[C@H](C[NH2+][C@@H](c1ccc(F)cc1)C1CC1)N1CC[NH+](C)CC1 ZINC000271642420 209087925 /nfs/dbraw/zinc/08/79/25/209087925.db2.gz DXXSQMUSLKIWLC-RDTXWAMCSA-N 2 0 305.441 2.502 20 0 DFADRP C[C@@H](NC[C@@H]1CCC[N@@H+]1C)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000624270415 399623293 /nfs/dbraw/zinc/62/32/93/399623293.db2.gz QOFXJAMPHBLNSU-NEWSRXKRSA-N 2 0 301.478 2.581 20 0 DFADRP CN(CCC[N@H+](C)Cc1cnc2ccccc2c1)CC[NH+](C)C ZINC000289523261 221037894 /nfs/dbraw/zinc/03/78/94/221037894.db2.gz VUYUEZLOZJAOSX-UHFFFAOYSA-N 2 0 314.477 2.550 20 0 DFADRP C[C@@H]([NH3+])C[C@@H](C)[NH2+][C@@H]1Cc2ccccc2O[C@H]1C(F)(F)F ZINC000629513110 399630312 /nfs/dbraw/zinc/63/03/12/399630312.db2.gz IEWJVAHUOLPQCG-BGOOENEXSA-N 2 0 302.340 2.636 20 0 DFADRP C[C@@H](C(=O)NC[C@@H](c1ccccc1)[NH+]1CCC(C)CC1)[NH+](C)C ZINC000078693057 542482760 /nfs/dbraw/zinc/48/27/60/542482760.db2.gz BKVMFQCUVFIDMO-WMZOPIPTSA-N 2 0 317.477 2.526 20 0 DFADRP Cc1nccn1CCC[N@@H+](C)CCN(C)Cc1ccccc1 ZINC000294900057 224294972 /nfs/dbraw/zinc/29/49/72/224294972.db2.gz HBDSKAZHNYWIEP-UHFFFAOYSA-N 2 0 300.450 2.645 20 0 DFADRP Cc1cccnc1[C@@H]1CCC[C@@H]([NH2+]CC2([NH3+])CCOCC2)C1 ZINC000629519311 399633453 /nfs/dbraw/zinc/63/34/53/399633453.db2.gz FPVXLOORJIMTHD-HZPDHXFCSA-N 2 0 303.450 2.514 20 0 DFADRP C[C@H]([NH2+]CC1([NH3+])CCOCC1)C1(c2ccccc2)CCCC1 ZINC000629525565 399636449 /nfs/dbraw/zinc/63/64/49/399636449.db2.gz WJAAENXDNQNHPC-INIZCTEOSA-N 2 0 302.462 2.984 20 0 DFADRP C[NH+](C)CCCN(CCC[NH+](C)C)Cc1cccc2cc[nH]c21 ZINC000289936486 221327317 /nfs/dbraw/zinc/32/73/17/221327317.db2.gz WVGMAJGXDOBMIS-UHFFFAOYSA-N 2 0 316.493 2.873 20 0 DFADRP C[C@H]1CCC[C@@H]([NH+]2CCC([NH2+]CCN(C)CC(F)F)CC2)C1 ZINC000624324060 399638271 /nfs/dbraw/zinc/63/82/71/399638271.db2.gz FQECNZJQCFLSCQ-GOEBONIOSA-N 2 0 317.468 2.816 20 0 DFADRP C[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+]CCN(C)CC(F)F)CC1 ZINC000624324106 399638444 /nfs/dbraw/zinc/63/84/44/399638444.db2.gz FYJOLTCXRYQZKP-GDBMZVCRSA-N 2 0 317.468 2.816 20 0 DFADRP Cc1ccc2[nH]c3c(c2c1)CCC[C@H]3[NH2+]CCOCCC[NH3+] ZINC000629541341 399641239 /nfs/dbraw/zinc/64/12/39/399641239.db2.gz YLZMIUZFYFXTIS-QGZVFWFLSA-N 2 0 301.434 2.809 20 0 DFADRP [NH3+][C@H]1CCO[C@H](C2CC[NH+](Cc3cc(O)ccc3Cl)CC2)C1 ZINC000629540833 399641352 /nfs/dbraw/zinc/64/13/52/399641352.db2.gz SWKIGSNYBJCDJT-YOEHRIQHSA-N 2 0 324.852 2.764 20 0 DFADRP C(C[NH+]1CCC(Cc2nc(C3CCC3)no2)CC1)[C@H]1CC[NH2+]C1 ZINC000629581318 399655298 /nfs/dbraw/zinc/65/52/98/399655298.db2.gz WBAIGROZTYGMIE-OAHLLOKOSA-N 2 0 318.465 2.591 20 0 DFADRP C[C@]12C[NH2+]C[C@@]1(C)C[N@H+](CCC(=O)Nc1cccc(Cl)c1)C2 ZINC000629592898 399657769 /nfs/dbraw/zinc/65/77/69/399657769.db2.gz GFLLZPRVDVNCKE-CALCHBBNSA-N 2 0 321.852 2.600 20 0 DFADRP CC(C)(C)[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C2CCCC2)C1 ZINC000617344516 399669361 /nfs/dbraw/zinc/66/93/61/399669361.db2.gz KOFWDKPSGHSBSK-WBVHZDCISA-N 2 0 321.509 2.773 20 0 DFADRP CC(C)Sc1ccc([C@@H](C)[NH2+]CCN2CC[C@H](O)C2)cc1 ZINC000624335560 399643396 /nfs/dbraw/zinc/64/33/96/399643396.db2.gz VDOLDSZFJWZKIJ-ZBFHGGJFSA-N 2 0 308.491 2.904 20 0 DFADRP Fc1cc(Cl)ccc1N1CC[C@@H]([NH2+][C@H]2CCC[NH2+]CC2)C1 ZINC000629547479 399643747 /nfs/dbraw/zinc/64/37/47/399643747.db2.gz TUSFMGWAWQIPLU-UONOGXRCSA-N 2 0 311.832 2.790 20 0 DFADRP C[C@H]1C[C@@H]1C[NH+]1CCC(c2cc(C3CC[NH2+]CC3)[nH]n2)CC1 ZINC000629547326 399643824 /nfs/dbraw/zinc/64/38/24/399643824.db2.gz MJARIHGHPOVKNA-XJKSGUPXSA-N 2 0 302.466 2.712 20 0 DFADRP C[C@@H]1[NH2+]CC[C@H]1N[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000629548256 399643909 /nfs/dbraw/zinc/64/39/09/399643909.db2.gz YIDYTWFUHICHBT-CJSSEVFESA-N 2 0 313.489 2.770 20 0 DFADRP [NH3+]C[C@@H]1CCC[C@H]1[NH2+][C@@H]1CCN(c2ccc(Cl)cc2F)C1 ZINC000629547013 399643918 /nfs/dbraw/zinc/64/39/18/399643918.db2.gz RNXMENKFQLJPSE-NJZAAPMLSA-N 2 0 311.832 2.775 20 0 DFADRP C[C@H]([NH3+])[C@H]1COCC[C@H]1[NH2+]Cc1csc(C(F)(F)F)c1 ZINC000629551302 399645222 /nfs/dbraw/zinc/64/52/22/399645222.db2.gz TUCWTMCEKYSKEG-JMJZKYOTSA-N 2 0 308.369 2.609 20 0 DFADRP Cc1nc(C)c(CN2CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C2)s1 ZINC000629564083 399650300 /nfs/dbraw/zinc/65/03/00/399650300.db2.gz RJSDGNVJQJZBQJ-GHMZBOCLSA-N 2 0 307.385 2.719 20 0 DFADRP CN(CC[N@@H+]1CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C1)c1ccccc1 ZINC000629561359 399650338 /nfs/dbraw/zinc/65/03/38/399650338.db2.gz HVZBFAQCEHDLIQ-DZGCQCFKSA-N 2 0 315.383 2.582 20 0 DFADRP C[C@H](C[N@H+](C)CCOCC[NH3+])c1ccc(C(F)(F)F)cc1 ZINC000629662490 399680912 /nfs/dbraw/zinc/68/09/12/399680912.db2.gz FWRHZTXGBJRCJN-GFCCVEGCSA-N 2 0 304.356 2.716 20 0 DFADRP C[N@H+](CCCC[NH+]1CCCCC1)CC[S@](=O)c1ccccc1 ZINC000603112223 399684071 /nfs/dbraw/zinc/68/40/71/399684071.db2.gz UVIAMVWVJMHFQT-QFIPXVFZSA-N 2 0 322.518 2.992 20 0 DFADRP Cc1cc[nH+]c(NC[C@H]2CCN(Cc3nccn3C(F)F)C2)c1 ZINC000624484648 399686124 /nfs/dbraw/zinc/68/61/24/399686124.db2.gz IQUYVBZMJRRFBX-CYBMUJFWSA-N 2 0 321.375 2.916 20 0 DFADRP Cc1noc([C@@H](C)N2CC[C@H](CNc3cc(C)cc[nH+]3)C2)n1 ZINC000624484645 399686393 /nfs/dbraw/zinc/68/63/93/399686393.db2.gz GSXWOTGDCKUJLI-TZMCWYRMSA-N 2 0 301.394 2.576 20 0 DFADRP Cc1noc([C@@H](C)N2CC[C@@H](CNc3cc(C)cc[nH+]3)C2)n1 ZINC000624484644 399686448 /nfs/dbraw/zinc/68/64/48/399686448.db2.gz GSXWOTGDCKUJLI-OCCSQVGLSA-N 2 0 301.394 2.576 20 0 DFADRP CC[NH+](CC)Cc1ccc(C(=O)N[C@@H]2CC[N@@H+](C(C)(C)C)C2)o1 ZINC000617351898 399675225 /nfs/dbraw/zinc/67/52/25/399675225.db2.gz RQAMTTGQPAPNTD-CQSZACIVSA-N 2 0 321.465 2.724 20 0 DFADRP CC(C)C[C@@H](C[NH2+]Cc1nc(C[NH3+])cc(=O)[nH]1)c1ccccc1 ZINC000629653053 399676316 /nfs/dbraw/zinc/67/63/16/399676316.db2.gz LPKWUGIIJPOBHX-HNNXBMFYSA-N 2 0 314.433 2.560 20 0 DFADRP C[NH+](C)Cc1ccc(-c2ccc(C[C@H](C[NH3+])CO)cc2)cc1F ZINC000629709299 399697101 /nfs/dbraw/zinc/69/71/01/399697101.db2.gz SMMXRBSKBDHBNM-OAHLLOKOSA-N 2 0 316.420 2.664 20 0 DFADRP [NH3+]C1CC[NH+](Cc2ccc(-c3c[nH]c(=O)c(F)c3)cc2)CC1 ZINC000629739475 399709638 /nfs/dbraw/zinc/70/96/38/399709638.db2.gz XQOUBOOCLYRVMC-UHFFFAOYSA-N 2 0 301.365 2.516 20 0 DFADRP CC(C)[C@@H]([NH2+][C@@H](C)C1CC[NH+](C)CC1)c1nc(C2CC2)no1 ZINC000089670927 542530644 /nfs/dbraw/zinc/53/06/44/542530644.db2.gz PWSXXAXXRCGPDF-SWLSCSKDSA-N 2 0 306.454 2.964 20 0 DFADRP Cc1nccnc1CC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000294973128 224350292 /nfs/dbraw/zinc/35/02/92/224350292.db2.gz KBXKKDXRLKYTQI-QFBILLFUSA-N 2 0 324.472 2.828 20 0 DFADRP C[N@@H+]1CCC[C@@H](CN[C@@H]2C[NH+](Cc3ccccc3)C(C)(C)C2)C1 ZINC000090185491 542535060 /nfs/dbraw/zinc/53/50/60/542535060.db2.gz MKQQWBVSTOPETB-OALUTQOASA-N 2 0 315.505 2.971 20 0 DFADRP COC1(C[NH2+]C2CC[NH+]([C@H]3CCC[C@H](C)C3)CC2)CCOCC1 ZINC000090653291 542538884 /nfs/dbraw/zinc/53/88/84/542538884.db2.gz IEBIUKSVPKTYCC-WMZOPIPTSA-N 2 0 324.509 2.815 20 0 DFADRP C[NH+](C)CCOc1ccc(C[N@H+](C)CCc2nccs2)cc1 ZINC000093843756 542555082 /nfs/dbraw/zinc/55/50/82/542555082.db2.gz AYSRNJWLZYXRCG-UHFFFAOYSA-N 2 0 319.474 2.758 20 0 DFADRP O[C@@H]1c2ccccc2C[C@@H]1[N@@H+]1CCC[C@H](C[NH+]2CCCCC2)C1 ZINC000378443238 285337877 /nfs/dbraw/zinc/33/78/77/285337877.db2.gz RRNCCQVNURNZIO-LSTHTHJFSA-N 2 0 314.473 2.843 20 0 DFADRP CC[C@H]1CC[C@H]1[NH2+]Cc1ccc(N2CC[NH+](CC)CC2)nc1 ZINC000348086292 285337500 /nfs/dbraw/zinc/33/75/00/285337500.db2.gz NMINOEKYMBXDHU-DLBZAZTESA-N 2 0 302.466 2.502 20 0 DFADRP CCN(CC)[C@H](C[NH2+][C@@H](C)C1CC[NH+](C)CC1)c1ccco1 ZINC000119119767 542570616 /nfs/dbraw/zinc/57/06/16/542570616.db2.gz JGGCBVBEIURNNW-DOTOQJQBSA-N 2 0 307.482 2.982 20 0 DFADRP CC[C@@H]1CC[C@H]1[NH2+]CCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000348099697 285348371 /nfs/dbraw/zinc/34/83/71/285348371.db2.gz DUKNUILQQOZKER-WOJBJXKFSA-N 2 0 315.505 2.973 20 0 DFADRP CCOc1ccccc1[C@@H](C)[NH2+]C[C@H](C)CN1CC[NH+](C)CC1 ZINC000121035717 195283867 /nfs/dbraw/zinc/28/38/67/195283867.db2.gz SCWRKFANFJMUKY-DLBZAZTESA-N 2 0 319.493 2.619 20 0 DFADRP Cc1ccc(C[N@@H+](C)CC2CC[NH+](C[C@H](C)O)CC2)c(C)c1 ZINC000121122421 195295940 /nfs/dbraw/zinc/29/59/40/195295940.db2.gz NHPFAWQIIUTWOB-KRWDZBQOSA-N 2 0 304.478 2.828 20 0 DFADRP C[C@@H]1CCCC[C@@H]1N(C)C(=O)C[NH+]1CCC(CC[NH+](C)C)CC1 ZINC000121618432 195318459 /nfs/dbraw/zinc/31/84/59/195318459.db2.gz KHVILFJJHAHEPP-AEFFLSMTSA-N 2 0 323.525 2.687 20 0 DFADRP Cc1cc(C[NH+](C)C)cc(NC(=O)[C@@](C)([NH3+])c2ccccc2)c1 ZINC000423783871 296447583 /nfs/dbraw/zinc/44/75/83/296447583.db2.gz KZHHOHPQMIJHSD-IBGZPJMESA-N 2 0 311.429 2.869 20 0 DFADRP Cc1cc(C[NH+](C)C)cc(NC(=O)[C@@H](C[NH3+])c2ccccc2)c1 ZINC000423792840 296448712 /nfs/dbraw/zinc/44/87/12/296448712.db2.gz WEUXUNSITOEZAS-SFHVURJKSA-N 2 0 311.429 2.738 20 0 DFADRP CC[N@@H+]1CC[C@@H]([NH2+]C[C@@H](c2cccc(F)c2)N(C)C)[C@H](C)C1 ZINC000133446324 285376567 /nfs/dbraw/zinc/37/65/67/285376567.db2.gz IGRSHESXTVRDGE-OLMNPRSZSA-N 2 0 307.457 2.748 20 0 DFADRP CC[N@H+](CCc1cnn(C)c1)Cc1ccc(C[NH+](C)C)cc1 ZINC000626062235 399741384 /nfs/dbraw/zinc/74/13/84/399741384.db2.gz LTPQUVIBRZQYPO-UHFFFAOYSA-N 2 0 300.450 2.546 20 0 DFADRP C[C@H]([NH2+][C@H]1CCN(c2ncccc2Cl)C1)C1CC[NH+](C)CC1 ZINC000120032601 542577227 /nfs/dbraw/zinc/57/72/27/542577227.db2.gz NWJYYALQUBGYGN-ZFWWWQNUSA-N 2 0 322.884 2.634 20 0 DFADRP CC[N@@H+](Cc1ccc(C[NH+](C)C)cc1)C[C@H](OC)[C@H]1CCOC1 ZINC000626063936 399742469 /nfs/dbraw/zinc/74/24/69/399742469.db2.gz WAFIXKXYQHIJGN-OALUTQOASA-N 2 0 320.477 2.622 20 0 DFADRP C[C@@H]([NH2+]C[C@@H](C)CCCO)c1cccc(OCC[NH+](C)C)c1 ZINC000296589201 533408705 /nfs/dbraw/zinc/40/87/05/533408705.db2.gz UWGOHVGTNDQFDR-JKSUJKDBSA-N 2 0 308.466 2.686 20 0 DFADRP CCC[NH+]1CCC(N[C@@H](CCO)c2ccc(OC)cc2)CC1 ZINC000121059959 542582487 /nfs/dbraw/zinc/58/24/87/542582487.db2.gz QYVOBSCFGBZTBQ-SFHVURJKSA-N 2 0 306.450 2.583 20 0 DFADRP C[C@H](NCC[NH+]1CCCCC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272442926 130031550 /nfs/dbraw/zinc/03/15/50/130031550.db2.gz ITYHTARTBMEXLV-ICSRJNTNSA-N 2 0 315.505 2.973 20 0 DFADRP C[C@H]([NH2+]CCCN1CCc2ccccc2C1)C1CC[NH+](C)CC1 ZINC000122815050 542590075 /nfs/dbraw/zinc/59/00/75/542590075.db2.gz ZADHTGXEPUNBBW-KRWDZBQOSA-N 2 0 315.505 2.755 20 0 DFADRP CC(C)NC(=O)Nc1ccc(C[NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)cc1 ZINC000127971794 542615929 /nfs/dbraw/zinc/61/59/29/542615929.db2.gz ZUCRWEKERMWMKV-WMLDXEAASA-N 2 0 318.465 2.789 20 0 DFADRP [NH3+]C[C@H]1Cc2ccccc2N(C(=O)CC[C@@H]([NH3+])c2ccccc2)C1 ZINC000632869590 399772448 /nfs/dbraw/zinc/77/24/48/399772448.db2.gz RXGGERZBFRXXCO-CRAIPNDOSA-N 2 0 323.440 2.631 20 0 DFADRP CC(C)[C@H](C[NH2+][C@@H]1CCc2ccc(F)cc21)N1CC[NH+](C)CC1 ZINC000132495189 542642061 /nfs/dbraw/zinc/64/20/61/542642061.db2.gz DPFBGDJMKSCZHY-MOPGFXCFSA-N 2 0 319.468 2.675 20 0 DFADRP C[C@H]1C[N@H+](C[C@@H]2CN(Cc3ccccc3)CCCO2)C[C@H]1C ZINC000284089763 131048115 /nfs/dbraw/zinc/04/81/15/131048115.db2.gz LXSWDRMXASPGQR-SCTDSRPQSA-N 2 0 302.462 2.865 20 0 DFADRP [NH3+]C[C@@H]1CCCC[C@@H]1NC(=O)CC[C@H]([NH3+])CC1CCCCC1 ZINC000424073344 296482785 /nfs/dbraw/zinc/48/27/85/296482785.db2.gz FDQISUHWWDQSJI-ULQDDVLXSA-N 2 0 309.498 2.698 20 0 DFADRP C1C[C@@H]2C[C@H](NC3CC[NH+](C4CCCCC4)CC3)CC[N@@H+]2C1 ZINC000161583809 542731722 /nfs/dbraw/zinc/73/17/22/542731722.db2.gz YORDSKGDZFXTNN-IEBWSBKVSA-N 2 0 305.510 3.000 20 0 DFADRP C[C@@H]1CC[N@H+](CCC(=O)Nc2ccccc2Cl)C[C@@H]1C[NH3+] ZINC000163840374 132124890 /nfs/dbraw/zinc/12/48/90/132124890.db2.gz TUPQAZHVKQARCS-OLZOCXBDSA-N 2 0 309.841 2.585 20 0 DFADRP C[C@H]([NH2+]Cc1ccnc(N2CCCCC2)c1)C1CC[NH+](C)CC1 ZINC000162483059 542737287 /nfs/dbraw/zinc/73/72/87/542737287.db2.gz DAPPPFWQFGWYML-INIZCTEOSA-N 2 0 316.493 2.892 20 0 DFADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCC[NH2+][C@@H]2CC[NH+]3CCC[C@@H]3C2)C1 ZINC000166175798 542749511 /nfs/dbraw/zinc/74/95/11/542749511.db2.gz WTTRSYMNFNJTRC-FCGDIQPGSA-N 2 0 307.526 2.961 20 0 DFADRP COc1ccccc1O[C@H](C)C[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000166729191 542750890 /nfs/dbraw/zinc/75/08/90/542750890.db2.gz MJQFPZXYPMGQCS-OWCLPIDISA-N 2 0 304.434 2.679 20 0 DFADRP CC(C)(C[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccc2c(c1)OCO2 ZINC000166395855 542751648 /nfs/dbraw/zinc/75/16/48/542751648.db2.gz ZTGIMOSBJNEWRT-JKSUJKDBSA-N 2 0 316.445 2.909 20 0 DFADRP COc1ccc(OCCC[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000166294857 542751655 /nfs/dbraw/zinc/75/16/55/542751655.db2.gz IJOPBUUXKSAXEA-JKSUJKDBSA-N 2 0 304.434 2.681 20 0 DFADRP CCO[C@@H](CC[NH+](C)C)C[NH2+]Cc1c(F)cc(C)cc1F ZINC000424143431 296487390 /nfs/dbraw/zinc/48/73/90/296487390.db2.gz JQOXCJORVQLFGW-ZDUSSCGKSA-N 2 0 300.393 2.720 20 0 DFADRP CCCC[C@@H](CC)C[NH+]1CCC(C(=O)NCC[NH+](C)C)CC1 ZINC000183636876 542801319 /nfs/dbraw/zinc/80/13/19/542801319.db2.gz DINMPQLWHIQKBM-MRXNPFEDSA-N 2 0 311.514 2.593 20 0 DFADRP COC(=O)CC1CC([NH2+]Cc2ccc(C[NH+]3CCCC3)cc2)C1 ZINC000424253846 296495863 /nfs/dbraw/zinc/49/58/63/296495863.db2.gz GJUWHBOTPNPGDF-UHFFFAOYSA-N 2 0 316.445 2.714 20 0 DFADRP Fc1ccc(C[NH2+]CCCn2ccnc2)c(Br)c1 ZINC000220121859 542879835 /nfs/dbraw/zinc/87/98/35/542879835.db2.gz MLJMKECCILXVHZ-UHFFFAOYSA-N 2 0 312.186 2.965 20 0 DFADRP CC1CC[NH+]([C@H](CNC(=O)CC(C)(C)[NH3+])c2cccs2)CC1 ZINC000236726276 542896660 /nfs/dbraw/zinc/89/66/60/542896660.db2.gz ZUNWGPJKROXDEF-CQSZACIVSA-N 2 0 323.506 2.765 20 0 DFADRP C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)CC(C)(C)[NH3+] ZINC000237342606 542901486 /nfs/dbraw/zinc/90/14/86/542901486.db2.gz SDGRZEWFXPMPLT-OAHLLOKOSA-N 2 0 317.477 2.805 20 0 DFADRP C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)CC(C)(C)[NH3+])cc1 ZINC000237683878 542904845 /nfs/dbraw/zinc/90/48/45/542904845.db2.gz DFNPETGUAHIALU-OAHLLOKOSA-N 2 0 317.477 2.805 20 0 DFADRP C[NH+](C)Cc1ccsc1-c1nc(C2([NH3+])CCCCC2)no1 ZINC000424345865 296504276 /nfs/dbraw/zinc/50/42/76/296504276.db2.gz NZVFRQLCMQAQLC-UHFFFAOYSA-N 2 0 306.435 2.978 20 0 DFADRP COC1CC([NH2+][C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)C1 ZINC000309888651 543067095 /nfs/dbraw/zinc/06/70/95/543067095.db2.gz CTKWEANBLXCBBF-VWPKTGOWSA-N 2 0 300.446 2.664 20 0 DFADRP COc1ccc([C@H](C)[NH2+]CC(C)(C)N2CC[NH+](C)CC2)cc1F ZINC000320391007 543082192 /nfs/dbraw/zinc/08/21/92/543082192.db2.gz XMNBIQSWGLPKKX-AWEZNQCLSA-N 2 0 323.456 2.511 20 0 DFADRP C[C@H](CCc1ccccc1)[NH+]1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000604388514 399843947 /nfs/dbraw/zinc/84/39/47/399843947.db2.gz HYEHFSULIOJPIM-UYAOXDASSA-N 2 0 315.505 2.720 20 0 DFADRP Cc1nc(C)c(Br)c(NCCCn2ccnc2)n1 ZINC000322940857 543091287 /nfs/dbraw/zinc/09/12/87/543091287.db2.gz HTODTAADOCLKIY-UHFFFAOYSA-N 2 0 310.199 2.555 20 0 DFADRP CCN(CCC[N@@H+]1CCC[C@@H](n2ccnc2)C1)CC(F)(F)F ZINC000681208352 545611729 /nfs/dbraw/zinc/61/17/29/545611729.db2.gz HABWPOMULWKRPP-CQSZACIVSA-N 2 0 318.387 2.794 20 0 DFADRP C[NH+](C)CCCN(CCC[NH+](C)C)Cc1ncc(Cl)s1 ZINC000348918358 285720730 /nfs/dbraw/zinc/72/07/30/285720730.db2.gz BXSLGYHIQFNIGR-UHFFFAOYSA-N 2 0 318.918 2.502 20 0 DFADRP CC(C)[C@@H](CN[C@H]1CC[N@@H+]2CCC[C@H]2C1)[NH+]1CCC(C)CC1 ZINC000339074884 543139923 /nfs/dbraw/zinc/13/99/23/543139923.db2.gz MLSCMVWWBVZJAD-GBESFXJTSA-N 2 0 307.526 2.959 20 0 DFADRP Clc1cccnc1N1CC[C@H]([NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)C1 ZINC000339073688 543140216 /nfs/dbraw/zinc/14/02/16/543140216.db2.gz DDULYRXTHFMGQC-ILXRZTDVSA-N 2 0 320.868 2.530 20 0 DFADRP c1ccc(C[NH+]2CCC[C@@H]2CN[C@@H]2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000339069645 543140712 /nfs/dbraw/zinc/14/07/12/543140712.db2.gz YUTWNLHHIUMKSL-HSALFYBXSA-N 2 0 313.489 2.867 20 0 DFADRP C[C@H]1CCCC[N@@H+]1CCC(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000339233460 543141460 /nfs/dbraw/zinc/14/14/60/543141460.db2.gz CNRFVRSXMOVXOI-FUHWJXTLSA-N 2 0 317.477 2.670 20 0 DFADRP C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)CC[NH+]1CCCC[C@@H]1C ZINC000339251295 543142214 /nfs/dbraw/zinc/14/22/14/543142214.db2.gz CQENFCLBQXNLIX-MHORFTMASA-N 2 0 323.525 2.734 20 0 DFADRP OC1CC[NH+](Cc2ccccc2C[NH2+][C@@H]2CC[C@H]2C2CC2)CC1 ZINC000348103439 543183552 /nfs/dbraw/zinc/18/35/52/543183552.db2.gz BUPZXPQDHVYTHO-VQTJNVASSA-N 2 0 314.473 2.922 20 0 DFADRP CC(C)[C@H]1CC[C@@H]1[NH2+]Cc1cccc(C(=O)NCC[NH+](C)C)c1 ZINC000353497487 543235872 /nfs/dbraw/zinc/23/58/72/543235872.db2.gz OTRHKQMCGIYENJ-MSOLQXFVSA-N 2 0 317.477 2.502 20 0 DFADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]C[C@@](C)(CO)Cc1ccccc1 ZINC000357815048 543264272 /nfs/dbraw/zinc/26/42/72/543264272.db2.gz VESMVOSHUFHWQY-RWQQGDIJSA-N 2 0 304.478 2.546 20 0 DFADRP C[NH+]1CCC(CC[NH2+][C@H](c2ccccc2)c2cncnc2)CC1 ZINC000349453487 285866205 /nfs/dbraw/zinc/86/62/05/285866205.db2.gz OJUFEYGRLBBDHD-LJQANCHMSA-N 2 0 310.445 2.888 20 0 DFADRP CS[C@H]1CC[C@H]1[NH2+]Cc1ccccc1C[NH+]1CCC(O)CC1 ZINC000425352974 296571612 /nfs/dbraw/zinc/57/16/12/296571612.db2.gz MYMOWGFORYLOTI-MSOLQXFVSA-N 2 0 320.502 2.627 20 0 DFADRP CC[NH+]1CCN([C@@H](C)C[NH2+][C@H](C)c2cc(F)cc(F)c2)CC1 ZINC000155667335 145217157 /nfs/dbraw/zinc/21/71/57/145217157.db2.gz XTYVPEIAWKBUQU-UONOGXRCSA-N 2 0 311.420 2.641 20 0 DFADRP C[C@@H](CO[C@@H]1CCOC1)[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000166380204 145234446 /nfs/dbraw/zinc/23/44/46/145234446.db2.gz LFKIERCUDHZWLM-MAUKXSAKSA-N 2 0 310.482 2.567 20 0 DFADRP C[C@@H](CC(=O)NCCCCC[NH+]1CCCCC1)C1CC[NH2+]CC1 ZINC000168743983 145243684 /nfs/dbraw/zinc/24/36/84/145243684.db2.gz NWOVDWQEMQOGDB-KRWDZBQOSA-N 2 0 323.525 2.785 20 0 DFADRP C[C@H](CC(=O)NCCCCC[NH+]1CCCCC1)[C@@H]1CCC[NH2+]C1 ZINC000168742899 145244111 /nfs/dbraw/zinc/24/41/11/145244111.db2.gz OQAGBQIVZZFIFV-QZTJIDSGSA-N 2 0 323.525 2.785 20 0 DFADRP OC1(C[NH2+][C@H]2CC[C@@H]2C2CC2)CC[NH+](Cc2ccccc2)CC1 ZINC000414307956 543325707 /nfs/dbraw/zinc/32/57/07/543325707.db2.gz PSEPKELCEPQCLV-MOPGFXCFSA-N 2 0 314.473 2.792 20 0 DFADRP c1ccc(-c2cccc(C[NH2+]CCCN3CC[NH2+]CC3)c2)cc1 ZINC000414783801 543327443 /nfs/dbraw/zinc/32/74/43/543327443.db2.gz RFDDGRUCTMEYLB-UHFFFAOYSA-N 2 0 309.457 2.739 20 0 DFADRP C[C@H](CC[NH3+])[NH2+]Cc1ccc(Br)c2cccnc12 ZINC000414900699 543327716 /nfs/dbraw/zinc/32/77/16/543327716.db2.gz WLLFIGWUONJBNV-SNVBAGLBSA-N 2 0 308.223 2.824 20 0 DFADRP C[C@H](CC(=O)Nc1cccc(Cl)c1)[NH2+][C@@H]1CCC[C@H]([NH3+])C1 ZINC000414925498 543327905 /nfs/dbraw/zinc/32/79/05/543327905.db2.gz LWAQDAPDQHQXOD-OSAQELSMSA-N 2 0 309.841 2.917 20 0 DFADRP C[C@@H]([NH3+])CC[NH2+]Cc1ccc(Br)c2cccnc12 ZINC000414821469 543327913 /nfs/dbraw/zinc/32/79/13/543327913.db2.gz LHMYGFGPXWAACJ-SNVBAGLBSA-N 2 0 308.223 2.824 20 0 DFADRP C[C@@H](C[NH3+])C[NH2+]Cc1ccc(Br)c2cccnc12 ZINC000414880865 543327959 /nfs/dbraw/zinc/32/79/59/543327959.db2.gz RFZONETTXRMPAA-JTQLQIEISA-N 2 0 308.223 2.682 20 0 DFADRP Cc1nn(-c2cccc(F)c2)cc1C[NH2+][C@@H]1CCC[C@H]([NH3+])C1 ZINC000414916806 543328055 /nfs/dbraw/zinc/32/80/55/543328055.db2.gz PCYVKLCNYDVYOA-JKSUJKDBSA-N 2 0 302.397 2.679 20 0 DFADRP C[C@@H](C(=O)N1CCC[N@@H+](C2CCCC2)CC1)[NH+]1[C@H](C)CC[C@H]1C ZINC000172413042 145302774 /nfs/dbraw/zinc/30/27/74/145302774.db2.gz MTQUGIPSIXHTBX-ZACQAIPSSA-N 2 0 321.509 2.725 20 0 DFADRP Cc1ccc(NC(=O)C[C@H](C)[NH2+][C@@H]2CCC[C@@H]([NH3+])C2)c(C)c1 ZINC000414932952 543328445 /nfs/dbraw/zinc/32/84/45/543328445.db2.gz WGAQSELTOLEVTJ-ARFHVFGLSA-N 2 0 303.450 2.880 20 0 DFADRP [NH3+][C@H]1CCC[C@@H]([NH2+]Cc2c[nH]nc2-c2c(F)cccc2F)C1 ZINC000414931390 543328451 /nfs/dbraw/zinc/32/84/51/543328451.db2.gz UMQWTCOQCJQNKH-NWDGAFQWSA-N 2 0 306.360 2.714 20 0 DFADRP CC[NH+](CC)C[C@H](C)NC(=O)C[C@@H](c1ccccc1)[NH+](C)C ZINC000416163247 543332082 /nfs/dbraw/zinc/33/20/82/543332082.db2.gz XEZIXMDIHOIKQR-RDJZCZTQSA-N 2 0 305.466 2.526 20 0 DFADRP C[N@@H+]1C[C@H](C(=O)Nc2ccn3ccnc3c2)[C@@H](c2ccccc2)C1 ZINC000626777634 399893031 /nfs/dbraw/zinc/89/30/31/399893031.db2.gz SHBWKJXPZCWHIW-SJORKVTESA-N 2 0 320.396 2.618 20 0 DFADRP C[C@@H]([NH3+])c1ccc(-c2ccc3c(c2)CC[C@@]([NH3+])(CO)C3)cc1F ZINC000630501235 399895466 /nfs/dbraw/zinc/89/54/66/399895466.db2.gz QEMGJZCUACVPQH-BLVKFPJESA-N 2 0 314.404 2.691 20 0 DFADRP CCCN(C(=O)c1ccc(-c2c[nH]cn2)cc1)[C@@H]1CC[N@H+](C)C1 ZINC000633552376 399916963 /nfs/dbraw/zinc/91/69/63/399916963.db2.gz OLBZXELVYKWFFQ-MRXNPFEDSA-N 2 0 312.417 2.633 20 0 DFADRP c1ccc2c(c1)[nH+]ccc2N1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000630545823 399901189 /nfs/dbraw/zinc/90/11/89/399901189.db2.gz NMSZXDSRDUNMID-MRXNPFEDSA-N 2 0 311.429 2.830 20 0 DFADRP C[NH+]1CCN(c2cc[nH+]c(NCc3cccc(F)c3F)c2)CC1 ZINC000630960435 399954019 /nfs/dbraw/zinc/95/40/19/399954019.db2.gz FJKZLTMCKUHWKZ-UHFFFAOYSA-N 2 0 318.371 2.724 20 0 DFADRP CC[NH+](CC)CCC[C@H](C)[NH2+]Cc1c2c(nn1C)CCCC2 ZINC000631029381 399965385 /nfs/dbraw/zinc/96/53/85/399965385.db2.gz BCSXJMMGTABJRM-HNNXBMFYSA-N 2 0 306.498 2.899 20 0 DFADRP COc1cncc(C[NH2+]Cc2ccc(F)c(C[NH+](C)C)c2)c1C ZINC000631074212 399975451 /nfs/dbraw/zinc/97/54/51/399975451.db2.gz UZRJWNCGCIMPLO-UHFFFAOYSA-N 2 0 317.408 2.889 20 0 DFADRP Cc1scc(C[NH2+]C2CC[NH+]([C@H]3CCC[C@H]3O)CC2)c1C ZINC000631090603 399978947 /nfs/dbraw/zinc/97/89/47/399978947.db2.gz HMFAQXDSAAYSFW-DLBZAZTESA-N 2 0 308.491 2.832 20 0 DFADRP COc1cc(F)cc(OC)c1C[NH2+]CC1CC[NH+](C2CC2)CC1 ZINC000631121054 399984542 /nfs/dbraw/zinc/98/45/42/399984542.db2.gz NPAYLRRIWVPPES-UHFFFAOYSA-N 2 0 322.424 2.807 20 0 DFADRP Cc1ccc([C@H](C)C[NH+]2CCN(CC[NH+]3CCCC3)CC2)cc1 ZINC000628120709 399987500 /nfs/dbraw/zinc/98/75/00/399987500.db2.gz AQCNSLOOIJRAET-LJQANCHMSA-N 2 0 315.505 2.812 20 0 DFADRP C[N@@H+]1CCC[C@H](CC[NH2+]Cc2ccncc2Br)C1 ZINC000631157663 399992249 /nfs/dbraw/zinc/99/22/49/399992249.db2.gz DNHIHJRLDSAUMC-GFCCVEGCSA-N 2 0 312.255 2.666 20 0 DFADRP C[C@]1(C[NH+]2CCC(CC[NH+]3CCOCC3)CC2)CCCS1 ZINC000628159503 399993178 /nfs/dbraw/zinc/99/31/78/399993178.db2.gz RSDCJCAGSCXPLK-QGZVFWFLSA-N 2 0 312.523 2.706 20 0 DFADRP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@@H+]2Cc1ccc2[nH]ccc2c1 ZINC000628191097 399999221 /nfs/dbraw/zinc/99/92/21/399999221.db2.gz ZOUJULPZFICWJE-NZSAHSFTSA-N 2 0 313.445 2.851 20 0 DFADRP Cc1ccc([C@@H](C)C[NH2+]C2CCN(CC[NH+](C)C)CC2)cc1 ZINC000628201712 400000598 /nfs/dbraw/zinc/00/05/98/400000598.db2.gz QPGLJTBOAPCELO-KRWDZBQOSA-N 2 0 303.494 2.714 20 0 DFADRP CC[NH+]1CCN([C@H](C)C[NH2+]C[C@H](C)c2ccc(C)cc2)CC1 ZINC000628202421 400000689 /nfs/dbraw/zinc/00/06/89/400000689.db2.gz SXRQJWXJXKNXSC-ZWKOTPCHSA-N 2 0 303.494 2.714 20 0 DFADRP CC[NH+]1CCN(C[C@H](C)C[NH2+]C[C@@H](C)c2ccc(C)cc2)CC1 ZINC000628213487 400002650 /nfs/dbraw/zinc/00/26/50/400002650.db2.gz LXIZYIYFNDZTAS-RTBURBONSA-N 2 0 317.521 2.962 20 0 DFADRP CCCC[N@H+](C)CC1CCN(C(=O)[C@@H]2CC[NH+](C)[C@H]2CC)CC1 ZINC000631272580 400016026 /nfs/dbraw/zinc/01/60/26/400016026.db2.gz HFYHQFCEPWARGU-MSOLQXFVSA-N 2 0 323.525 2.687 20 0 DFADRP Cc1ccc([C@H](C)C[N@@H+]2CCOC3(CC[NH+](C)CC3)C2)cc1 ZINC000628323083 400020611 /nfs/dbraw/zinc/02/06/11/400020611.db2.gz YWQKWGZKNJFLAX-QGZVFWFLSA-N 2 0 302.462 2.895 20 0 DFADRP CC[N@@H+]1CC[C@H](C[NH2+][C@H]2CCCOc3c(OC)cccc32)C1 ZINC000631570725 400052720 /nfs/dbraw/zinc/05/27/20/400052720.db2.gz XSZBEFRDTVRZPI-ZBFHGGJFSA-N 2 0 304.434 2.840 20 0 DFADRP CC[N@@H+]1CC[C@H](C[NH2+][C@@H]2CCCOc3c(OC)cccc32)C1 ZINC000631570720 400052887 /nfs/dbraw/zinc/05/28/87/400052887.db2.gz XSZBEFRDTVRZPI-GDBMZVCRSA-N 2 0 304.434 2.840 20 0 DFADRP COCCC[NH+]1CCC([NH2+][C@@H]2CCCc3ncccc32)CC1 ZINC000631575317 400053465 /nfs/dbraw/zinc/05/34/65/400053465.db2.gz RADHUJNVMIHKND-GOSISDBHSA-N 2 0 303.450 2.550 20 0 DFADRP COc1ccc2c(c1)CC[C@@H]2[NH2+]CCCC[N@@H+]1CCC[C@H]1CO ZINC000631582195 400054814 /nfs/dbraw/zinc/05/48/14/400054814.db2.gz YRCLAGFNIDQJBN-LPHOPBHVSA-N 2 0 318.461 2.509 20 0 DFADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1CN[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000631661629 400063485 /nfs/dbraw/zinc/06/34/85/400063485.db2.gz AMRKBJGQDQGLIO-UMGGQSCQSA-N 2 0 315.505 2.827 20 0 DFADRP COC[C@H]([NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C)C1CC1 ZINC000631665385 400063936 /nfs/dbraw/zinc/06/39/36/400063936.db2.gz XCSZGLROFBFRRJ-IPELMVKDSA-N 2 0 302.462 2.769 20 0 DFADRP C[C@H]([NH2+]C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1C)[C@@H]1CCOC1 ZINC000631665303 400064117 /nfs/dbraw/zinc/06/41/17/400064117.db2.gz VEUUIGDUXBZNHE-JFRXWTBNSA-N 2 0 302.462 2.769 20 0 DFADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C[NH2+][C@@H]1CCCOCC1 ZINC000631665766 400064185 /nfs/dbraw/zinc/06/41/85/400064185.db2.gz XQTMSZSQPQTOHT-NZSAHSFTSA-N 2 0 302.462 2.913 20 0 DFADRP OC[C@H]1C[C@@H]([NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC000631670990 400064544 /nfs/dbraw/zinc/06/45/44/400064544.db2.gz UCFHRNNTWGQBQZ-BSHDOZJQSA-N 2 0 300.446 2.543 20 0 DFADRP C[C@H]([NH2+]CC[C@@H](O)C(F)F)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000631698600 400068167 /nfs/dbraw/zinc/06/81/67/400068167.db2.gz GIANFYIAUHXJHK-CWRNSKLLSA-N 2 0 312.404 2.503 20 0 DFADRP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCO[C@H]2c2ccc(F)cc2)CC[N@@H+]1C ZINC000631733329 400070861 /nfs/dbraw/zinc/07/08/61/400070861.db2.gz BOFLBNQNGHYYBB-KCMWZYNZSA-N 2 0 306.425 2.976 20 0 DFADRP C[C@H]1C[C@H]([NH2+]C[C@@H]2CCO[C@H]2c2ccc(F)cc2)CC[N@@H+]1C ZINC000631733330 400070883 /nfs/dbraw/zinc/07/08/83/400070883.db2.gz BOFLBNQNGHYYBB-PLYYQAHHSA-N 2 0 306.425 2.976 20 0 DFADRP C[N@@H+]1CC[C@H]([NH2+]Cc2cccc3c2CCOC3)[C@@H]2CCC[C@@H]21 ZINC000631732585 400071003 /nfs/dbraw/zinc/07/10/03/400071003.db2.gz LLLKLUYDZGNJTF-FHWLQOOXSA-N 2 0 300.446 2.722 20 0 DFADRP CC(C)[C@H]1CN([C@@H]2C[C@@H](C)[NH+](Cc3ccccc3)C2)CC[N@@H+]1C ZINC000631793439 400075711 /nfs/dbraw/zinc/07/57/11/400075711.db2.gz GZZJVDUXHUFEKR-MISYRCLQSA-N 2 0 315.505 2.921 20 0 DFADRP Cc1cc(C)c(C[N@@H+]2CCCC[C@@H]2[C@H]2C[C@H]([NH3+])CCO2)c(C)n1 ZINC000631829545 400078082 /nfs/dbraw/zinc/07/80/82/400078082.db2.gz TZSKAVRKZVGOIJ-BHIYHBOVSA-N 2 0 317.477 2.868 20 0 DFADRP Cc1cc(C)c(C[NH+]2CCC([C@@H]3OCCC[C@H]3[NH3+])CC2)c(C)n1 ZINC000631828321 400078109 /nfs/dbraw/zinc/07/81/09/400078109.db2.gz LPULEUUONVSMSC-MOPGFXCFSA-N 2 0 317.477 2.725 20 0 DFADRP Cc1cc(C)c(C[N@@H+]2CCC[C@H]([C@@H]3C[C@H]([NH3+])CCO3)C2)c(C)n1 ZINC000631829552 400078149 /nfs/dbraw/zinc/07/81/49/400078149.db2.gz UBAHQPOUWMFEOO-SCTDSRPQSA-N 2 0 317.477 2.725 20 0 DFADRP Cc1cc(C)c(C[N@@H+]2CCCC[C@@H]2[C@@H]2C[C@H]([NH3+])CCO2)c(C)n1 ZINC000631829546 400078164 /nfs/dbraw/zinc/07/81/64/400078164.db2.gz TZSKAVRKZVGOIJ-QRQLOZEOSA-N 2 0 317.477 2.868 20 0 DFADRP C[C@@H]1C[N@H+](Cc2ccc(OCc3ccncc3)cc2)C[C@H]1C[NH3+] ZINC000631840901 400078881 /nfs/dbraw/zinc/07/88/81/400078881.db2.gz VZOBJEVXDROQAK-CRAIPNDOSA-N 2 0 311.429 2.687 20 0 DFADRP CCN(C)c1ccc(C[NH2+]C2CCC(C[NH+](C)C)CC2)cn1 ZINC000191463048 145892395 /nfs/dbraw/zinc/89/23/95/145892395.db2.gz OXVTYESBKKFCDR-UHFFFAOYSA-N 2 0 304.482 2.748 20 0 DFADRP COc1cccc(Cl)c1C[NH+]1CCC(OCCC[NH3+])CC1 ZINC000228762524 146010107 /nfs/dbraw/zinc/01/01/07/146010107.db2.gz IUKWGNXPKXYXEX-UHFFFAOYSA-N 2 0 312.841 2.678 20 0 DFADRP C[C@@H]([NH2+]CCOCC[NH+](C)C)c1cccc(OC(F)F)c1 ZINC000231786775 146016841 /nfs/dbraw/zinc/01/68/41/146016841.db2.gz PBPBLJWSEPQUJE-GFCCVEGCSA-N 2 0 302.365 2.517 20 0 DFADRP c1ccc(CN2CCC[C@H]([NH2+]C[C@@H]3CC[N@@H+](C4CC4)C3)C2)cc1 ZINC000236595460 146022262 /nfs/dbraw/zinc/02/22/62/146022262.db2.gz KSPTZZXKXIIEJF-OALUTQOASA-N 2 0 313.489 2.725 20 0 DFADRP CCCC[C@@H]([NH3+])C(=O)NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000236757601 146025428 /nfs/dbraw/zinc/02/54/28/146025428.db2.gz QIPRJNGYRPPHSZ-ZIAGYGMSSA-N 2 0 309.479 2.519 20 0 DFADRP CCN(CCCNC(=O)[C@@]1(C)CCCC[NH2+]1)c1ccccc1 ZINC000236847688 146030320 /nfs/dbraw/zinc/03/03/20/146030320.db2.gz HSGIFBJSZFIRBZ-GOSISDBHSA-N 2 0 303.450 2.551 20 0 DFADRP Cc1ccc2[nH]c(C[NH2+]CCCN3CC[NH+](C)CC3)cc2c1C ZINC000349663483 285910910 /nfs/dbraw/zinc/91/09/10/285910910.db2.gz DGIZHXTVTWGNSK-UHFFFAOYSA-N 2 0 314.477 2.512 20 0 DFADRP C[C@@]1(C(=O)N2CCC[N@H+](CC3CCCCC3)CC2)CCCC[NH2+]1 ZINC000237546371 146046679 /nfs/dbraw/zinc/04/66/79/146046679.db2.gz VAPVVTRHINLRIK-IBGZPJMESA-N 2 0 321.509 2.633 20 0 DFADRP C[C@H]1CC[N@H+](Cc2c[nH]nc2-c2cccnc2)C[C@H]1n1ccnc1 ZINC000245724758 146098077 /nfs/dbraw/zinc/09/80/77/146098077.db2.gz DQOLMFMQUHUBCR-WMLDXEAASA-N 2 0 322.416 2.751 20 0 DFADRP CC[NH+]1CCN([C@H](C)C[NH2+][C@H]2c3cc(C)ccc3C[C@H]2C)CC1 ZINC000246026927 146116488 /nfs/dbraw/zinc/11/64/88/146116488.db2.gz VPJUKBCIQIGSSF-MBOZVWFJSA-N 2 0 315.505 2.844 20 0 DFADRP C[C@H]([NH2+][C@@H]1CCC[C@@H]([NH+](C)C)C1)c1ccc2c(c1)OCCO2 ZINC000247008197 146158741 /nfs/dbraw/zinc/15/87/41/146158741.db2.gz KFNFUPAEOBEQKG-NUEKZKHPSA-N 2 0 304.434 2.981 20 0 DFADRP Cc1nccn1C[C@H]1CCC[N@@H+]1C[C@@H](O)c1cc(F)ccc1F ZINC000247001618 146159380 /nfs/dbraw/zinc/15/93/80/146159380.db2.gz KTRMBBNAVZRUJI-RHSMWYFYSA-N 2 0 321.371 2.668 20 0 DFADRP C[C@@H](C(=O)NCCCC[N@@H+]1CCC[C@@H](C)C1)[NH+]1[C@H](C)CC[C@H]1C ZINC000249763434 146205818 /nfs/dbraw/zinc/20/58/18/146205818.db2.gz XZZLFZOWMGYSLY-TVFCKZIOSA-N 2 0 323.525 2.876 20 0 DFADRP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000261551697 146239049 /nfs/dbraw/zinc/23/90/49/146239049.db2.gz QVIQYTPVPWICBW-GBESFXJTSA-N 3 0 301.478 2.616 20 0 DFADRP [NH3+]C[C@H]1CCCC[C@@H]1[NH2+]C1CCN(Cc2ccccc2)CC1 ZINC000261557847 146240955 /nfs/dbraw/zinc/24/09/55/146240955.db2.gz XRWHKRCEIVSMBU-MJGOQNOKSA-N 2 0 301.478 2.758 20 0 DFADRP C[C@]1(C[NH3+])CC[N@H+](CCOc2ccc(OC(F)(F)F)cc2)C1 ZINC000261622742 146248342 /nfs/dbraw/zinc/24/83/42/146248342.db2.gz DMORHIBLNBXPHT-CQSZACIVSA-N 2 0 318.339 2.635 20 0 DFADRP CC[NH+](CC)CCC[C@H](C)NC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2[NH2+]1 ZINC000261634504 146250817 /nfs/dbraw/zinc/25/08/17/146250817.db2.gz IBKBCCMBIWALIW-YVSFHVDLSA-N 2 0 309.498 2.534 20 0 DFADRP CC[N@H+](C[C@H]1CC[NH+](Cc2ccccc2)C1)CC1CC[NH2+]CC1 ZINC000261640535 146252249 /nfs/dbraw/zinc/25/22/49/146252249.db2.gz FOUXFHNEXKBMHE-HXUWFJFHSA-N 2 0 315.505 2.830 20 0 DFADRP COc1ccc(-c2ccncc2)cc1C[N@@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000261651865 146254156 /nfs/dbraw/zinc/25/41/56/146254156.db2.gz HKVUVWVHKIRDLQ-IBGZPJMESA-N 2 0 311.429 2.928 20 0 DFADRP CC(C)c1cccc(NC(=O)CN(C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC000261674073 146257807 /nfs/dbraw/zinc/25/78/07/146257807.db2.gz HJUASGKEQCJVEG-JWTNVVGKSA-N 2 0 315.461 2.963 20 0 DFADRP C[C@@H](c1ccc(Cl)cc1)N(C)C(=O)CN1CC[C@@](C)(C[NH3+])C1 ZINC000261674281 146258648 /nfs/dbraw/zinc/25/86/48/146258648.db2.gz JJZWQABUSMSNCG-GUYCJALGSA-N 2 0 323.868 2.530 20 0 DFADRP CC[C@H]1C[C@@H](C[N@@H+]2C[C@@H](C[NH3+])[C@H](c3ccccc3)C2)CCO1 ZINC000261702652 146261743 /nfs/dbraw/zinc/26/17/43/146261743.db2.gz JLPQFUOCOMQYIV-NQYYFHDYSA-N 2 0 302.462 2.866 20 0 DFADRP CCC(CC)(CNC(=O)C[C@H](C)[NH3+])[NH2+][C@@H](C)c1ccccc1 ZINC000261701947 146262450 /nfs/dbraw/zinc/26/24/50/146262450.db2.gz CRUUORMXANLKNF-GJZGRUSLSA-N 2 0 305.466 2.750 20 0 DFADRP c1csc(C[N@@H+](C[C@@H]2CCSC2)[C@H]2CC23CC[NH2+]CC3)n1 ZINC000261762733 146272206 /nfs/dbraw/zinc/27/22/06/146272206.db2.gz DDRZKTHZZWYJLQ-KBPBESRZSA-N 2 0 323.531 2.840 20 0 DFADRP C[NH2+]C[C@H]1CCC[N@H+](Cc2ccc(-c3cnn(C)c3)s2)C1 ZINC000261766568 146273640 /nfs/dbraw/zinc/27/36/40/146273640.db2.gz DJOJDRIKFQJABW-CYBMUJFWSA-N 2 0 304.463 2.580 20 0 DFADRP [NH3+]CC[C@H]1CCC[N@H+](Cc2ccnn2-c2ccc(F)cc2)C1 ZINC000261784073 146276157 /nfs/dbraw/zinc/27/61/57/146276157.db2.gz FRZZOVVSGUJZQV-CQSZACIVSA-N 2 0 302.397 2.572 20 0 DFADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]C[C@H]1CCN(CC(F)(F)F)C1 ZINC000261813570 146281374 /nfs/dbraw/zinc/28/13/74/146281374.db2.gz AEAZWKUWRSAYOG-KFWWJZLASA-N 2 0 321.431 2.771 20 0 DFADRP O=C(CC[NH+]1CCC([C@H]2CCC[NH2+]2)CC1)Nc1ccccc1F ZINC000261833240 146286347 /nfs/dbraw/zinc/28/63/47/146286347.db2.gz XXSBWKQSOAYFLI-MRXNPFEDSA-N 2 0 319.424 2.618 20 0 DFADRP C[NH2+]C[C@@H]1CCCN(CC(=O)Nc2ccc(C(C)C)cc2)C1 ZINC000261863697 146290471 /nfs/dbraw/zinc/29/04/71/146290471.db2.gz GHKWAJQLSAFAFV-HNNXBMFYSA-N 2 0 303.450 2.680 20 0 DFADRP [NH3+]C[C@@H]1C[N@H+](Cc2cc(O)cc(F)c2)C[C@H]1c1ccccc1 ZINC000261860843 146290908 /nfs/dbraw/zinc/29/09/08/146290908.db2.gz RESZOVPGDCKJNS-QAPCUYQASA-N 2 0 300.377 2.706 20 0 DFADRP C[C@]1(C[NH+]2CCC(N3CCc4cc(F)ccc43)CC2)CC[NH2+]C1 ZINC000261925699 146302510 /nfs/dbraw/zinc/30/25/10/146302510.db2.gz CDECTLHFKDNJRG-IBGZPJMESA-N 2 0 317.452 2.652 20 0 DFADRP c1cn2c(C[N@@H+]3CCC4(C3)CC[NH2+]CC4)c(C3CC3)nc2s1 ZINC000261944132 146306806 /nfs/dbraw/zinc/30/68/06/146306806.db2.gz FBYSRODMYFKKPP-UHFFFAOYSA-N 2 0 316.474 2.849 20 0 DFADRP Cc1ccc(NC(=O)CN(C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)c(Cl)c1 ZINC000261949626 146308918 /nfs/dbraw/zinc/30/89/18/146308918.db2.gz MTXSVJMAKQKEFA-PBWFPOADSA-N 2 0 321.852 2.802 20 0 DFADRP Fc1ccccc1-c1n[nH]cc1C[N@@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000261962660 146310411 /nfs/dbraw/zinc/31/04/11/146310411.db2.gz HLBCNLUDLANTIF-UHFFFAOYSA-N 2 0 314.408 2.791 20 0 DFADRP CCC[N@H+](C[C@H]1COc2ccccc2O1)C[C@]1(C)CC[NH2+]C1 ZINC000261970981 146311758 /nfs/dbraw/zinc/31/17/58/146311758.db2.gz IFINKKUAHXYQKJ-MAUKXSAKSA-N 2 0 304.434 2.538 20 0 DFADRP C[NH2+]CCC1CC[NH+](CCc2nc(-c3ccccc3)no2)CC1 ZINC000261992995 146319177 /nfs/dbraw/zinc/31/91/77/146319177.db2.gz MVOOIHZXAOOTOV-UHFFFAOYSA-N 2 0 314.433 2.601 20 0 DFADRP CCC[C@](C)([NH3+])C(=O)NCC1([NH+]2CCCCC2)CCCCC1 ZINC000262036565 146326053 /nfs/dbraw/zinc/32/60/53/146326053.db2.gz ZTCQJPYKISODOO-KRWDZBQOSA-N 2 0 309.498 2.809 20 0 DFADRP COc1cc(CN2CC[C@]3(CC[NH2+]C3)C2)ccc1OC(C)C ZINC000262036954 146326298 /nfs/dbraw/zinc/32/62/98/146326298.db2.gz OPUDXBZLGHRVHC-SFHVURJKSA-N 2 0 304.434 2.668 20 0 DFADRP C[C@@H]1CCCC[N@@H+]1CCC1CC[NH+](C[C@@]2(C)CC[NH2+]C2)CC1 ZINC000262112470 146333968 /nfs/dbraw/zinc/33/39/68/146333968.db2.gz WQABEFSJJPMPGR-MJGOQNOKSA-N 3 0 307.526 2.963 20 0 DFADRP C[C@@H]([NH3+])C1CC[NH+](Cc2ccc(OC[C@@H]3CCCO3)cc2)CC1 ZINC000262104078 146334309 /nfs/dbraw/zinc/33/43/09/146334309.db2.gz JHXQKAJVJLGANZ-BEFAXECRSA-N 2 0 318.461 2.804 20 0 DFADRP COc1cc(C)c(C[N@@H+]2CCC3(C2)CC[NH2+]CC3)cc1OC ZINC000262122289 146335298 /nfs/dbraw/zinc/33/52/98/146335298.db2.gz XLAYMDWYPNRWJI-UHFFFAOYSA-N 2 0 304.434 2.588 20 0 DFADRP C[NH2+]CC1CC[NH+](Cc2ccc(OC[C@@H]3CCCO3)cc2)CC1 ZINC000262148795 146339277 /nfs/dbraw/zinc/33/92/77/146339277.db2.gz QTYFPSICGSZAGU-IBGZPJMESA-N 2 0 318.461 2.676 20 0 DFADRP C[C@H](C(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1)C1C[NH2+]C1 ZINC000262411563 146357701 /nfs/dbraw/zinc/35/77/01/146357701.db2.gz QQNOLUQTZHOQMK-HNNXBMFYSA-N 2 0 315.461 2.509 20 0 DFADRP CCCOc1ccc(OCC[N@@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)cc1 ZINC000262560877 146371451 /nfs/dbraw/zinc/37/14/51/146371451.db2.gz VLLFYPTWBQUWIB-BMGDILEWSA-N 2 0 304.434 2.523 20 0 DFADRP C[NH+]1CCN(CCC(C)(C)[NH2+]Cc2cccc3cc[nH]c32)CC1 ZINC000349814268 285946194 /nfs/dbraw/zinc/94/61/94/285946194.db2.gz SKPHOESNJAGBFP-UHFFFAOYSA-N 2 0 314.477 2.674 20 0 DFADRP C[NH+](C)CC1CC[NH+](CCc2nc(-c3ccccc3)no2)CC1 ZINC000354377766 147013958 /nfs/dbraw/zinc/01/39/58/147013958.db2.gz BRFOIDAUMXHGSE-UHFFFAOYSA-N 2 0 314.433 2.553 20 0 DFADRP Cc1ccccc1NC(=O)[C@H](C)[NH+]1CCC(C[NH+](C)C)CC1 ZINC000354376342 147014590 /nfs/dbraw/zinc/01/45/90/147014590.db2.gz BEODYSXZANUYOM-HNNXBMFYSA-N 2 0 303.450 2.596 20 0 DFADRP C[N@@H+]1CCCC[C@H]1CCC(=O)NC1CC[NH+](C2CCCC2)CC1 ZINC000354489999 147056313 /nfs/dbraw/zinc/05/63/13/147056313.db2.gz PWUADSVAEZGGNE-KRWDZBQOSA-N 2 0 321.509 2.774 20 0 DFADRP Cc1ccc(NC(=O)[C@@H](C)[NH+]2CCC(C[NH+](C)C)CC2)c(C)c1 ZINC000354504266 147061292 /nfs/dbraw/zinc/06/12/92/147061292.db2.gz ROMKTXOPPJHTBT-MRXNPFEDSA-N 2 0 317.477 2.904 20 0 DFADRP CCC[NH+]1CCC([NH2+]C2CCC(C)(C(=O)OCC)CC2)CC1 ZINC000354574686 147085628 /nfs/dbraw/zinc/08/56/28/147085628.db2.gz OROIMGCMQLOAHL-UHFFFAOYSA-N 2 0 310.482 2.962 20 0 DFADRP Cc1ccc2[nH+]ccc(NC[C@@]3([NH+](C)C)CCSC3)c2c1 ZINC000354579478 147086191 /nfs/dbraw/zinc/08/61/91/147086191.db2.gz PHOYPVMDSPOHFF-KRWDZBQOSA-N 2 0 301.459 2.814 20 0 DFADRP Cc1nccn1CC[N@H+]1CCC[C@@H]1CN(C)C(=O)OC(C)(C)C ZINC000494143403 543414637 /nfs/dbraw/zinc/41/46/37/543414637.db2.gz WUUCDFZMERNEMI-OAHLLOKOSA-N 2 0 322.453 2.523 20 0 DFADRP C[N@H+](CC1CCOCC1)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000354864647 147183615 /nfs/dbraw/zinc/18/36/15/147183615.db2.gz VOYAVSAVSFUUHO-UHFFFAOYSA-N 2 0 303.450 2.656 20 0 DFADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)[C@H]1CCCC1(C)C ZINC000355282774 147250539 /nfs/dbraw/zinc/25/05/39/147250539.db2.gz SBGGVIBBEKEUBW-IAGOWNOFSA-N 2 0 323.525 2.687 20 0 DFADRP COCC(C)(C)C[NH+]1C[C@@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000355324707 147265465 /nfs/dbraw/zinc/26/54/65/147265465.db2.gz YCNCNXWXBGUKOI-ROUUACIJSA-N 2 0 302.462 2.723 20 0 DFADRP CC[NH+](CC)[C@H](C)CN[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000355330365 147267924 /nfs/dbraw/zinc/26/79/24/147267924.db2.gz CDWZDOMAAYIIQY-LMMKCTJWSA-N 2 0 303.494 2.827 20 0 DFADRP CC[NH+]1CCN(c2ccccc2C[N@@H+]2CC[C@@](C)(F)C2)CC1 ZINC000355372037 147289178 /nfs/dbraw/zinc/28/91/78/147289178.db2.gz XRGPBVNRXYFHTC-GOSISDBHSA-N 2 0 305.441 2.762 20 0 DFADRP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+]1CCOCC2(CCC2)C1 ZINC000355511971 147344198 /nfs/dbraw/zinc/34/41/98/147344198.db2.gz LOIZGCVWLGKCLO-UHFFFAOYSA-N 2 0 312.417 2.578 20 0 DFADRP CC(C)[C@@H]1[NH2+]CC[C@@H]1c1nc(-c2ccc(C[NH+](C)C)cc2)no1 ZINC000356881313 147837597 /nfs/dbraw/zinc/83/75/97/147837597.db2.gz HSRLOKLIBHSRJW-HOTGVXAUSA-N 2 0 314.433 2.900 20 0 DFADRP CCOc1ccc(C[NH+]2CCC(C[NH+](C)C)CC2)cc1OC ZINC000350145363 286010611 /nfs/dbraw/zinc/01/06/11/286010611.db2.gz HRYQICXBJNOHSS-UHFFFAOYSA-N 2 0 306.450 2.868 20 0 DFADRP CC[NH+](CC)CC1CC[NH+](Cc2cnc(N(C)C)s2)CC1 ZINC000350145333 286010649 /nfs/dbraw/zinc/01/06/49/286010649.db2.gz HFGCRRSMSXUNRG-UHFFFAOYSA-N 2 0 310.511 2.763 20 0 DFADRP COc1ccc(C[NH+]2CCC(C[NH+]3CCOCC3)CC2)cc1C ZINC000350220292 286019557 /nfs/dbraw/zinc/01/95/57/286019557.db2.gz LYMGJMCGPFNENU-UHFFFAOYSA-N 2 0 318.461 2.548 20 0 DFADRP Cc1nc([C@H](C)[NH2+]CCCC[NH+]2C[C@H](C)O[C@@H](C)C2)cs1 ZINC000358034630 148220602 /nfs/dbraw/zinc/22/06/02/148220602.db2.gz HNLZHSBTPMDWJO-IHRRRGAJSA-N 2 0 311.495 2.992 20 0 DFADRP CC(C)C[C@H](CNC(=O)[C@@H](C(C)C)[NH+]1CCCCC1)[NH+](C)C ZINC000358047351 148224512 /nfs/dbraw/zinc/22/45/12/148224512.db2.gz QQTKSTQOODLIJP-IAGOWNOFSA-N 2 0 311.514 2.589 20 0 DFADRP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]CCc1nc(-c2ccccn2)cs1 ZINC000358048712 148226762 /nfs/dbraw/zinc/22/67/62/148226762.db2.gz PYIWJSCQHPEAFU-ZIAGYGMSSA-N 2 0 316.474 2.677 20 0 DFADRP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]CCc1cc(Cl)c2c(c1)OCCO2 ZINC000358080279 148236434 /nfs/dbraw/zinc/23/64/34/148236434.db2.gz GEEGWILKEZDABX-DOMZBBRYSA-N 2 0 324.852 2.584 20 0 DFADRP Fc1ccc(CC[NH2+]Cc2cc(C3CC[NH2+]CC3)no2)cc1 ZINC000425899072 296603894 /nfs/dbraw/zinc/60/38/94/296603894.db2.gz KLYOGDFHWYQQBU-UHFFFAOYSA-N 2 0 303.381 2.613 20 0 DFADRP COc1cccc(OCCC[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000358145611 148259589 /nfs/dbraw/zinc/25/95/89/148259589.db2.gz AGINILBBJFPZSS-CVEARBPZSA-N 2 0 304.434 2.681 20 0 DFADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]CC2(C)CCOCC2)[C@H](C)C1 ZINC000358245327 148300282 /nfs/dbraw/zinc/30/02/82/148300282.db2.gz IAADKONRVGVRQK-SJORKVTESA-N 2 0 312.498 2.530 20 0 DFADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CC2(C)CCOCC2)[C@@H](C)C1 ZINC000358245320 148300674 /nfs/dbraw/zinc/30/06/74/148300674.db2.gz IAADKONRVGVRQK-DLBZAZTESA-N 2 0 312.498 2.530 20 0 DFADRP CC[N@@H+]1CC[C@H]([NH2+]CC[C@H]2COc3ccccc3O2)[C@@H](C)C1 ZINC000358280750 148316910 /nfs/dbraw/zinc/31/69/10/148316910.db2.gz BUFYIPAVSOGKAQ-JYJNAYRXSA-N 2 0 304.434 2.536 20 0 DFADRP COc1cc(C)c(C[C@H](C)[NH2+]C[C@H](C)C[NH+](C)C)cc1OC ZINC000425914065 296604362 /nfs/dbraw/zinc/60/43/62/296604362.db2.gz AUCMELHWWIKMMM-ZFWWWQNUSA-N 2 0 308.466 2.731 20 0 DFADRP CC[NH+](CC)CCOCC[NH2+]Cc1ccc(F)cc1Cl ZINC000350317614 286028097 /nfs/dbraw/zinc/02/80/97/286028097.db2.gz MGLPJFGGAHUYIS-UHFFFAOYSA-N 2 0 302.821 2.927 20 0 DFADRP C[C@@H](CC[S@](C)=O)[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000358407286 148348939 /nfs/dbraw/zinc/34/89/39/148348939.db2.gz TZNOBQUUQCPCCT-XOBRGWDASA-N 2 0 300.512 2.530 20 0 DFADRP CCC[NH+]1CCC(CNC(=O)C2(C[NH+](C)C)CCCCC2)CC1 ZINC000358615205 148399979 /nfs/dbraw/zinc/39/99/79/148399979.db2.gz JPSSASQJZIAYQN-UHFFFAOYSA-N 2 0 323.525 2.737 20 0 DFADRP C[C@H]1C[C@@H](c2nc(-c3ccc(C[NH+](C)C)cc3)no2)CC[N@@H+]1C ZINC000350528477 286056269 /nfs/dbraw/zinc/05/62/69/286056269.db2.gz YTSLBONEVKZABJ-BBRMVZONSA-N 2 0 314.433 2.996 20 0 DFADRP COc1ccc(COCCC[NH2+][C@@H]2CC[N@H+](C)C[C@H]2C)cc1 ZINC000361011204 149007308 /nfs/dbraw/zinc/00/73/08/149007308.db2.gz DAIZODFKFWCUCC-CRAIPNDOSA-N 2 0 306.450 2.532 20 0 DFADRP CCc1nnc(CN2CCC(CCCn3ccnc3)CC2)o1 ZINC000361074857 149023315 /nfs/dbraw/zinc/02/33/15/149023315.db2.gz VNUDZFYJFZZIIO-UHFFFAOYSA-N 2 0 303.410 2.521 20 0 DFADRP C[C@@H]([NH2+]CCC[N@@H+]1CCC[C@@H](C(N)=O)C1)c1cccc(Cl)c1 ZINC000361183160 149048509 /nfs/dbraw/zinc/04/85/09/149048509.db2.gz OZHCAHPXFRGHRW-UKRRQHHQSA-N 2 0 323.868 2.578 20 0 DFADRP CC[C@H](C(=O)NC1CC[NH+](C2CCCC2)CC1)[NH+](CC)CC ZINC000361195002 149051260 /nfs/dbraw/zinc/05/12/60/149051260.db2.gz FJXXLIDAGQYILB-QGZVFWFLSA-N 2 0 309.498 2.630 20 0 DFADRP CO[C@@H](C)[C@@H](C)[NH2+]Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000361340565 149090430 /nfs/dbraw/zinc/09/04/30/149090430.db2.gz GDABPJKWGNAMHB-CVEARBPZSA-N 2 0 306.450 2.674 20 0 DFADRP CO[C@@H](C)[C@H](C)[NH2+]Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000361340566 149090525 /nfs/dbraw/zinc/09/05/25/149090525.db2.gz GDABPJKWGNAMHB-HOTGVXAUSA-N 2 0 306.450 2.674 20 0 DFADRP CCc1nocc1C[NH+]1CCC(C[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000350743254 286081230 /nfs/dbraw/zinc/08/12/30/286081230.db2.gz HCNIUOKFIMFAQI-GJZGRUSLSA-N 2 0 321.465 2.558 20 0 DFADRP Cc1cccc2c1CC[C@@H]2[NH2+]CCCC[N@@H+]1CCC[C@H]1CO ZINC000361350504 149093347 /nfs/dbraw/zinc/09/33/47/149093347.db2.gz GPWJIWCVLFSMFG-LPHOPBHVSA-N 2 0 302.462 2.809 20 0 DFADRP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)Cc2ccsc2Cl)CC1 ZINC000361557375 149147373 /nfs/dbraw/zinc/14/73/73/149147373.db2.gz QMOKWHHXHMOACW-GFCCVEGCSA-N 2 0 316.898 2.926 20 0 DFADRP C[C@H](C[NH+]1CCCCCC1)NC(=O)[C@H](C)[NH+]1[C@H](C)CC[C@H]1C ZINC000361838332 149233993 /nfs/dbraw/zinc/23/39/93/149233993.db2.gz SIBDEWJIUHUHBU-VQHPVUNQSA-N 2 0 309.498 2.628 20 0 DFADRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H]2CC[C@@H]2SC)[C@@H](C)C1 ZINC000361937496 149260143 /nfs/dbraw/zinc/26/01/43/149260143.db2.gz IUBDHZNIFPFROL-JONQDZQNSA-N 2 0 300.512 2.607 20 0 DFADRP C[NH+](C)CCOCC[NH2+]Cc1csc(-c2cccs2)n1 ZINC000361965862 149266395 /nfs/dbraw/zinc/26/63/95/149266395.db2.gz JCAMSBIUFWFSCP-UHFFFAOYSA-N 2 0 311.476 2.539 20 0 DFADRP Cc1ccc([C@@H]2CCCCCN2C[C@H](O)C[N@@H+](C)C2CC2)o1 ZINC000351512621 286140399 /nfs/dbraw/zinc/14/03/99/286140399.db2.gz HJNNTZVRFRDVIJ-SJORKVTESA-N 2 0 306.450 2.960 20 0 DFADRP Cc1ccc([C@H]2CCCCCN2C[C@@H](O)C[N@@H+](C)C2CC2)o1 ZINC000351512618 286140442 /nfs/dbraw/zinc/14/04/42/286140442.db2.gz HJNNTZVRFRDVIJ-DLBZAZTESA-N 2 0 306.450 2.960 20 0 DFADRP C[C@H]([NH2+][C@@H]1CCN(C2CC[NH+](C)CC2)C1)c1cccc(F)c1 ZINC000370637648 149958627 /nfs/dbraw/zinc/95/86/27/149958627.db2.gz VIPCIXGUOKNXEK-WMLDXEAASA-N 2 0 305.441 2.645 20 0 DFADRP Cc1nccn1CCC[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000371251841 150009915 /nfs/dbraw/zinc/00/99/15/150009915.db2.gz QMYZIFRENAXPAT-FUHWJXTLSA-N 2 0 302.466 2.530 20 0 DFADRP C[C@@H](c1ccccc1)[N@@H+]1CCC[C@H](CN2CC[NH+](C)CC2)C1 ZINC000371265711 150012193 /nfs/dbraw/zinc/01/21/93/150012193.db2.gz DJSIHCPWDBPTPW-ZWKOTPCHSA-N 2 0 301.478 2.707 20 0 DFADRP COCc1cccc(C[N@@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@@H]32)c1 ZINC000371295499 150017443 /nfs/dbraw/zinc/01/74/43/150017443.db2.gz RYTXAXQTEJIXDH-GBESFXJTSA-N 2 0 318.461 2.517 20 0 DFADRP CCOC(=O)[C@@H](CC)[NH+]1CCC2(C[C@@H]2C[N@H+](C)C2CC2)CC1 ZINC000371329285 150023771 /nfs/dbraw/zinc/02/37/71/150023771.db2.gz GSGLJCZQRIXXMJ-GDBMZVCRSA-N 2 0 308.466 2.524 20 0 DFADRP O[C@]1(Cc2cccc(Cl)c2)CC[N@H+](CCC[NH+]2CCCC2)C1 ZINC000371334012 150025799 /nfs/dbraw/zinc/02/57/99/150025799.db2.gz CVSFOHUJYCPXOJ-SFHVURJKSA-N 2 0 322.880 2.805 20 0 DFADRP c1[nH]nc(-c2ccccc2)c1CN1C[C@@H]2C[N@@H+]3CCCC[C@H]3[C@H]2C1 ZINC000371403031 150040113 /nfs/dbraw/zinc/04/01/13/150040113.db2.gz HSLZRMDBUFVKPQ-QYZOEREBSA-N 2 0 322.456 2.993 20 0 DFADRP CC(=O)Nc1ccc(CN2C[C@@H]3C[N@@H+]4CCCC[C@H]4[C@@H]3C2)cc1 ZINC000371403954 150040906 /nfs/dbraw/zinc/04/09/06/150040906.db2.gz YPWJFPAPUFYJMD-QRQLOZEOSA-N 2 0 313.445 2.561 20 0 DFADRP CC[N@@H+]1CC[C@@H]([NH2+]C2CCC(c3nc(C)no3)CC2)[C@@H](C)C1 ZINC000371446228 150048124 /nfs/dbraw/zinc/04/81/24/150048124.db2.gz CBFORYHLJWZCFL-HOJRLLLISA-N 2 0 306.454 2.724 20 0 DFADRP C[C@@H]1C[C@H](N[C@@H]2c3ccccc3CC[C@H]2[NH+](C)C)CC[N@@H+]1C ZINC000371484243 150054016 /nfs/dbraw/zinc/05/40/16/150054016.db2.gz BKJPALUGXNECEZ-YCEFEEMOSA-N 2 0 301.478 2.676 20 0 DFADRP c1cn(-c2ccc(C[N@@H+]3CC[C@@H](Oc4ccccc4)C3)cn2)cn1 ZINC000371866191 150105574 /nfs/dbraw/zinc/10/55/74/150105574.db2.gz FHQALCTXIJAZHD-GOSISDBHSA-N 2 0 320.396 2.921 20 0 DFADRP CCN(CC)C(=[NH2+])NCC1CC[NH+](Cc2ccccc2F)CC1 ZINC000371878762 150107616 /nfs/dbraw/zinc/10/76/16/150107616.db2.gz VBGBLBRDBXEVQR-UHFFFAOYSA-N 2 0 320.456 2.904 20 0 DFADRP C[N@@H+]1CCC[C@H]2CN(Cc3nc4ccc(F)cc4o3)CC[C@H]21 ZINC000372048507 150129088 /nfs/dbraw/zinc/12/90/88/150129088.db2.gz ZQHICHFDKAGDJI-SWLSCSKDSA-N 2 0 303.381 2.883 20 0 DFADRP COc1ccsc1[C@@H](C)[NH2+][C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000372112832 150138929 /nfs/dbraw/zinc/13/89/29/150138929.db2.gz LGEPNEAMFVWCIB-ZIAGYGMSSA-N 2 0 323.506 2.576 20 0 DFADRP CN(C)[C@H](C(=O)N[C@H]1CN(C)Cc2ccccc21)c1ccccc1 ZINC000372299305 150161094 /nfs/dbraw/zinc/16/10/94/150161094.db2.gz XWRKPOYMRGWEEW-OALUTQOASA-N 2 0 323.440 2.592 20 0 DFADRP C[N@H+](CCN1CCC[C@@H]1[C@H]1CCC[NH+]1C)Cc1ccc(F)cc1 ZINC000372357558 150166241 /nfs/dbraw/zinc/16/62/41/150166241.db2.gz PTJHYSLTDGBHSL-RTBURBONSA-N 2 0 319.468 2.816 20 0 DFADRP Cc1nnc([C@H](C)[N@H+](C)CC2CCN(c3cc[nH+]cc3)CC2)o1 ZINC000372949022 150205976 /nfs/dbraw/zinc/20/59/76/150205976.db2.gz SBBWILGIPJZACH-ZDUSSCGKSA-N 2 0 315.421 2.682 20 0 DFADRP Cc1cc([C@@H](C)[NH2+][C@@H]2CCN(C3CC[NH+](C)CC3)C2)c(C)o1 ZINC000373173841 150241913 /nfs/dbraw/zinc/24/19/13/150241913.db2.gz RAVHHSBQTFCKSJ-GDBMZVCRSA-N 2 0 305.466 2.716 20 0 DFADRP Cc1ccc(O)c(C[NH+]2CCC3(C[C@@H]3C[N@@H+](C)C3CC3)CC2)n1 ZINC000374282122 150335425 /nfs/dbraw/zinc/33/54/25/150335425.db2.gz FGKDSVXZZOKQDI-OAHLLOKOSA-N 2 0 315.461 2.792 20 0 DFADRP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@@H+]2CCCc1ccccc1 ZINC000374418690 150363737 /nfs/dbraw/zinc/36/37/37/150363737.db2.gz FEABBONCHDAYOS-QRVBRYPASA-N 2 0 302.462 2.803 20 0 DFADRP Cc1ccc(C)c(C[N@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@H]32)c1 ZINC000374431189 150366507 /nfs/dbraw/zinc/36/65/07/150366507.db2.gz WKVUNZDEUYDTTR-GUDVDZBRSA-N 2 0 302.462 2.987 20 0 DFADRP Cc1sccc1C[N@@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000351699657 286197280 /nfs/dbraw/zinc/19/72/80/286197280.db2.gz CJJARDYLIWRLMI-WMLDXEAASA-N 2 0 307.507 2.514 20 0 DFADRP CCN(CCC[NH+]1CCCC1)C(=O)[C@H](C)[NH+]1[C@H](C)CC[C@H]1C ZINC000351779660 286216734 /nfs/dbraw/zinc/21/67/34/286216734.db2.gz CFGOZUWLPKICST-ZACQAIPSSA-N 2 0 309.498 2.582 20 0 DFADRP CCN(CCC[NH+]1CCCC1)C(=O)c1sccc1C[NH+](C)C ZINC000351785744 286218227 /nfs/dbraw/zinc/21/82/27/286218227.db2.gz RXMPCTHZBNKCRB-UHFFFAOYSA-N 2 0 323.506 2.758 20 0 DFADRP C[C@@H]([NH3+])[C@@H]1CC[N@H+](Cc2cccc(OCC(F)(F)F)c2)C1 ZINC000351857239 286233232 /nfs/dbraw/zinc/23/32/32/286233232.db2.gz XBKBZIKDTOHWOH-DGCLKSJQSA-N 2 0 302.340 2.797 20 0 DFADRP C[C@H]([NH3+])[C@H]1CC[N@H+](CCc2nc(-c3ccc(Cl)cc3)no2)C1 ZINC000351857455 286233319 /nfs/dbraw/zinc/23/33/19/286233319.db2.gz BMALPNVHIOQEDT-AAEUAGOBSA-N 2 0 320.824 2.602 20 0 DFADRP COc1cc([C@@H](C)[NH2+]CC[C@H]2CCC[N@@H+]2C)cc(OC)c1OC ZINC000271630532 286245258 /nfs/dbraw/zinc/24/52/58/286245258.db2.gz BJWFTMNIODQMBS-UKRRQHHQSA-N 2 0 322.449 2.847 20 0 DFADRP CC[N@H+](C)C[C@H]1CCN(Cc2ccc3c(c2)OC(F)(F)O3)C1 ZINC000352004732 286267229 /nfs/dbraw/zinc/26/72/29/286267229.db2.gz PRMBTQGROCCYSZ-CYBMUJFWSA-N 2 0 312.360 2.782 20 0 DFADRP C[N@@H+]1CCC[C@@H]1CC[NH+]1CC[C@@]2(C1)CCc1ccccc1O2 ZINC000352018054 286270935 /nfs/dbraw/zinc/27/09/35/286270935.db2.gz MZZLCIAAZDTZTM-IEBWSBKVSA-N 2 0 300.446 2.940 20 0 DFADRP Cc1[nH+]ccc(N2CCC(CC[NH+]3CCOCC3)CC2)c1Cl ZINC000352067065 286284198 /nfs/dbraw/zinc/28/41/98/286284198.db2.gz BETFXXHXUHDXTQ-UHFFFAOYSA-N 2 0 323.868 2.982 20 0 DFADRP C[N@@H+]1CC[C@@H](NCC[C@H]2CCCC[NH+]2C)[C@H]1c1ccccc1 ZINC000352099173 286291218 /nfs/dbraw/zinc/29/12/18/286291218.db2.gz FFPKZYGSSVJAKK-GUDVDZBRSA-N 2 0 301.478 2.896 20 0 DFADRP C[N@@H+]1CC[C@H](NCC[C@H]2CCCC[NH+]2C)[C@@H]1c1ccccc1 ZINC000352099175 286291316 /nfs/dbraw/zinc/29/13/16/286291316.db2.gz FFPKZYGSSVJAKK-QYZOEREBSA-N 2 0 301.478 2.896 20 0 DFADRP COC(=O)C(C)(C)CC[NH2+][C@@H]1CCN(C)[C@H]1c1ccccc1 ZINC000352100989 286291728 /nfs/dbraw/zinc/29/17/28/286291728.db2.gz JRTZMWLKMZUBAB-CVEARBPZSA-N 2 0 304.434 2.611 20 0 DFADRP CCC[C@@H]([NH2+]C(C)C)C(=O)NCCCC[NH+]1CCC(C)CC1 ZINC000352157094 286307681 /nfs/dbraw/zinc/30/76/81/286307681.db2.gz RMDJHVSKFODWDL-QGZVFWFLSA-N 2 0 311.514 2.781 20 0 DFADRP COCC1CCC([NH2+]Cc2ccc(OCC[NH+](C)C)cc2)CC1 ZINC000296444023 292264928 /nfs/dbraw/zinc/26/49/28/292264928.db2.gz NWYILXMJMNBSOY-UHFFFAOYSA-N 2 0 320.477 2.922 20 0 DFADRP CCC[C@@H]([NH2+]C(C)C)C(=O)N1CCC(CCC[NH+](C)C)CC1 ZINC000352349265 286349785 /nfs/dbraw/zinc/34/97/85/286349785.db2.gz CBEPDYQPVLHQTP-QGZVFWFLSA-N 2 0 311.514 2.734 20 0 DFADRP Cc1ccsc1CNC(=O)C[N@H+](CCC[NH3+])CC1CCCC1 ZINC000352488810 286386468 /nfs/dbraw/zinc/38/64/68/286386468.db2.gz UYIZKKXIONVSAK-UHFFFAOYSA-N 2 0 323.506 2.514 20 0 DFADRP Cc1cccc2nc(C[N@H+](CCC[NH3+])CC3CCCC3)cn21 ZINC000352520555 286396612 /nfs/dbraw/zinc/39/66/12/286396612.db2.gz ZNCKQELBNVRDJW-UHFFFAOYSA-N 2 0 300.450 2.984 20 0 DFADRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@@H](C)[C@@H](OC)c1ccccc1 ZINC000279702948 286442235 /nfs/dbraw/zinc/44/22/35/286442235.db2.gz JOORVCITCPIIQJ-CGTJXYLNSA-N 2 0 308.466 2.709 20 0 DFADRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@H]1CCCNc2ccccc21 ZINC000192942144 286443181 /nfs/dbraw/zinc/44/31/81/286443181.db2.gz UZPYGRNWVZIWRJ-QAPCUYQASA-N 2 0 305.466 2.880 20 0 DFADRP Cc1sccc1C[NH+]1CCC(C)(C[NH+]2CCN(C)CC2)CC1 ZINC000352895544 286496604 /nfs/dbraw/zinc/49/66/04/286496604.db2.gz XQYYYWMTKDMTJT-UHFFFAOYSA-N 2 0 321.534 2.906 20 0 DFADRP CCO[C@H]1C[C@H]([NH2+]CC2(SC)CC[NH+](C)CC2)C1(C)C ZINC000353639685 286539291 /nfs/dbraw/zinc/53/92/91/286539291.db2.gz DQMNAPIUQJLQHP-KBPBESRZSA-N 2 0 300.512 2.607 20 0 DFADRP CC[C@@H]([NH2+]C[C@H](C)C[NH+]1CCCCC1)C1(C(=O)OC)CCC1 ZINC000353339174 286617651 /nfs/dbraw/zinc/61/76/51/286617651.db2.gz VRFCUIQNHUBARL-JKSUJKDBSA-N 2 0 310.482 2.820 20 0 DFADRP Cc1cc(C)cc(C[N@H+]2CCCC[C@@H](N3CCN(C)CC3)C2)c1 ZINC000182892761 158010105 /nfs/dbraw/zinc/01/01/05/158010105.db2.gz KIFAINCEPZSHAE-HXUWFJFHSA-N 2 0 315.505 2.905 20 0 DFADRP CCOC(CN1CCC[C@H](C[N@@H+]2CCCC[C@@H]2C)C1)OCC ZINC000184971418 158041498 /nfs/dbraw/zinc/04/14/98/158041498.db2.gz JPEZKMPZJLHQLA-IRXDYDNUSA-N 2 0 312.498 2.972 20 0 DFADRP Cc1cccc2c1[nH+]cc(C)c2N1CC[NH+](CC(C)(C)O)CC1 ZINC000185292773 158052368 /nfs/dbraw/zinc/05/23/68/158052368.db2.gz JRAKXAYVDBXIMP-UHFFFAOYSA-N 2 0 313.445 2.745 20 0 DFADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1N[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000246460439 158092537 /nfs/dbraw/zinc/09/25/37/158092537.db2.gz YVZJAPUXWUBQST-RWQQGDIJSA-N 2 0 301.478 2.579 20 0 DFADRP COc1cccc(CN2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)n1 ZINC000246810444 158101001 /nfs/dbraw/zinc/10/10/01/158101001.db2.gz NHECKXROPHMXKJ-WMLDXEAASA-N 2 0 301.434 2.539 20 0 DFADRP O=C(CN1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1)Nc1ccccc1 ZINC000246831373 158101847 /nfs/dbraw/zinc/10/18/47/158101847.db2.gz ODGOYUTXUHUYAH-MAUKXSAKSA-N 2 0 313.445 2.574 20 0 DFADRP CC[N@@H+]1CC[C@H](C[NH2+][C@H]2CCCOc3ccc(OC)cc32)C1 ZINC000246882349 158103947 /nfs/dbraw/zinc/10/39/47/158103947.db2.gz DZPXPUAGGRHCAQ-PBHICJAKSA-N 2 0 304.434 2.840 20 0 DFADRP CC[N@@H+]1CC[C@H](NC[C@@H](c2ccc(C)cc2)[NH+](C)C)[C@@H](C)C1 ZINC000247062341 158118449 /nfs/dbraw/zinc/11/84/49/158118449.db2.gz PQIPJPJESQSSIA-WDSOQIARSA-N 2 0 303.494 2.918 20 0 DFADRP CCC[N@@H+]1CC[C@@H](C[NH2+][C@H](C)c2ccc(-n3cncn3)cc2)C1 ZINC000247224937 158123500 /nfs/dbraw/zinc/12/35/00/158123500.db2.gz XXEUJFPPZGLXAC-CVEARBPZSA-N 2 0 313.449 2.650 20 0 DFADRP CCCCN(CCCC)C(=O)CN1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000247946494 158153719 /nfs/dbraw/zinc/15/37/19/158153719.db2.gz DNMUHMIAJRQLHX-ROUUACIJSA-N 2 0 323.525 2.831 20 0 DFADRP CCc1ccc([C@H](CN[C@@H]2CC[N@H+](C)[C@@H](C)C2)[NH+](C)C)cc1 ZINC000247971026 158155393 /nfs/dbraw/zinc/15/53/93/158155393.db2.gz JJVUHZVLMHHSTC-IPELMVKDSA-N 2 0 303.494 2.924 20 0 DFADRP CC[N@@H+]1CC[C@H]([NH2+]Cc2ccc(Cn3cccn3)cc2)[C@@H](C)C1 ZINC000248021152 158156926 /nfs/dbraw/zinc/15/69/26/158156926.db2.gz NRYAQPHBEFDOEI-LPHOPBHVSA-N 2 0 312.461 2.751 20 0 DFADRP CC[NH+](CC)CCC[NH2+][C@H]1CCN(Cc2ccccn2)C[C@H]1C ZINC000248041319 158158867 /nfs/dbraw/zinc/15/88/67/158158867.db2.gz SZDBTQHVQTZINZ-MJGOQNOKSA-N 2 0 318.509 2.614 20 0 DFADRP OC[C@@H]1CCC[N@@H+]1CCCC[NH2+][C@H]1CCc2cc(F)ccc21 ZINC000248131935 158161476 /nfs/dbraw/zinc/16/14/76/158161476.db2.gz ONYOSNGXVWHGEF-WMZOPIPTSA-N 2 0 306.425 2.640 20 0 DFADRP CC(C)C[C@H]([NH2+]CCCC[N@@H+]1CCC[C@H]1CO)c1ccccn1 ZINC000248155881 158162653 /nfs/dbraw/zinc/16/26/53/158162653.db2.gz RJCPJEYUKUIRPM-HKUYNNGSSA-N 2 0 319.493 2.995 20 0 DFADRP CC[N@@H+]1CC[C@@H]([NH2+]Cc2cn(C)nc2-c2ccccc2)[C@@H](C)C1 ZINC000248385057 158168858 /nfs/dbraw/zinc/16/88/58/158168858.db2.gz HAPCREKDZOERQB-MAUKXSAKSA-N 2 0 312.461 2.907 20 0 DFADRP CC1(C[NH2+][C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)COC1 ZINC000248391066 158170651 /nfs/dbraw/zinc/17/06/51/158170651.db2.gz BXRDSAIHPOVZNF-GUDVDZBRSA-N 2 0 314.473 2.913 20 0 DFADRP CCOCC[NH2+][C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000248389176 158171152 /nfs/dbraw/zinc/17/11/52/158171152.db2.gz AOALRBVAGMHLFR-IPMKNSEASA-N 2 0 302.462 2.913 20 0 DFADRP COc1ncccc1CN1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000248654629 158194560 /nfs/dbraw/zinc/19/45/60/158194560.db2.gz AQYAUHAINHWCBY-YOEHRIQHSA-N 2 0 301.434 2.539 20 0 DFADRP C[C@@H]1CCC[C@H]([NH+]2CCC([NH2+]CCc3ccn(C)n3)CC2)C1 ZINC000355042195 158259917 /nfs/dbraw/zinc/25/99/17/158259917.db2.gz SBNMTBOMKRBGAE-QAPCUYQASA-N 2 0 304.482 2.595 20 0 DFADRP CC[C@H]([NH2+]CC1(C[NH+](C)C)CCCC1)C1(C(=O)OC)CCC1 ZINC000355060691 158264133 /nfs/dbraw/zinc/26/41/33/158264133.db2.gz NQRQIZLDUXSRKA-HNNXBMFYSA-N 2 0 310.482 2.820 20 0 DFADRP C[C@@H](c1ccc(F)cc1)[N@@H+]1CCN(C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000355071960 158267137 /nfs/dbraw/zinc/26/71/37/158267137.db2.gz RLUUREFUDQDOTB-CVEARBPZSA-N 2 0 319.468 2.987 20 0 DFADRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H](C)[C@@H]2CCCOC2)[C@H](C)C1 ZINC000356846028 158314061 /nfs/dbraw/zinc/31/40/61/158314061.db2.gz IZQACEMONWMCQD-TVFCKZIOSA-N 2 0 312.498 2.528 20 0 DFADRP C[C@H]([NH2+]CCCc1nc2ccccc2n1C)[C@H]1CCCOC1 ZINC000356853613 158315647 /nfs/dbraw/zinc/31/56/47/158315647.db2.gz SHTAMVSWRNGHTR-GJZGRUSLSA-N 2 0 301.434 2.911 20 0 DFADRP CC(C)[C@H](CO)[NH2+][C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000356872854 158317151 /nfs/dbraw/zinc/31/71/51/158317151.db2.gz PNAPAPPLOAJKHT-MANSERQUSA-N 2 0 302.462 2.504 20 0 DFADRP Cc1ccc(-c2n[nH]cc2C[NH+]2CCC([C@@H]3CC[NH2+]C3)CC2)o1 ZINC000357038810 158353613 /nfs/dbraw/zinc/35/36/13/158353613.db2.gz AAVWNLMRSULLPQ-OAHLLOKOSA-N 2 0 314.433 2.800 20 0 DFADRP Clc1ccc2ncc(C[NH+]3CCC([C@@H]4CC[NH2+]C4)CC3)n2c1 ZINC000357045757 158355633 /nfs/dbraw/zinc/35/56/33/158355633.db2.gz ICTBRAXOLAJUGC-CQSZACIVSA-N 2 0 318.852 2.809 20 0 DFADRP Clc1ccc2nc(C[NH+]3CCC([C@@H]4CC[NH2+]C4)CC3)cn2c1 ZINC000357046184 158356007 /nfs/dbraw/zinc/35/60/07/158356007.db2.gz IQCNSMNGHNYPFW-CQSZACIVSA-N 2 0 318.852 2.809 20 0 DFADRP c1nn(Cc2ccccc2)cc1C[NH+]1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000357054480 158356477 /nfs/dbraw/zinc/35/64/77/158356477.db2.gz QCQZKLJDJDYKDE-FQEVSTJZSA-N 2 0 324.472 2.753 20 0 DFADRP COc1cccc(CN2CC[C@@H]3C[NH2+]C[C@@H]3C2)c1OC(C)C ZINC000357052825 158356654 /nfs/dbraw/zinc/35/66/54/158356654.db2.gz OTFZTHTZFNEUDT-GDBMZVCRSA-N 2 0 304.434 2.524 20 0 DFADRP O=C(CC[N@@H+]1CCC2(C1)CC[NH2+]CC2)Nc1cccc(Cl)c1 ZINC000358498486 158381599 /nfs/dbraw/zinc/38/15/99/158381599.db2.gz CIFKRFDYSSBDJZ-UHFFFAOYSA-N 2 0 321.852 2.744 20 0 DFADRP Cc1ccc(C)c(NC(=O)[C@@H](C)[N@@H+]2CCC3(C2)CC[NH2+]CC3)c1 ZINC000358507457 158383453 /nfs/dbraw/zinc/38/34/53/158383453.db2.gz KKTIMNWMAPEXNX-MRXNPFEDSA-N 2 0 315.461 2.706 20 0 DFADRP Cc1cc(Cl)ccc1NC(=O)C[N@@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000358514955 158385788 /nfs/dbraw/zinc/38/57/88/158385788.db2.gz YHOGUJAPJOGBGQ-UHFFFAOYSA-N 2 0 321.852 2.662 20 0 DFADRP CC1(C[NH2+]CC2CC[NH+](Cc3ccccc3F)CC2)COC1 ZINC000375675505 158848877 /nfs/dbraw/zinc/84/88/77/158848877.db2.gz DTRORMAZSZPYTR-UHFFFAOYSA-N 2 0 306.425 2.664 20 0 DFADRP CC[NH2+]CC1CC[NH+](CCc2nc(-c3ccccc3)no2)CC1 ZINC000430542901 296793419 /nfs/dbraw/zinc/79/34/19/296793419.db2.gz LFTNRFSKYQCBMF-UHFFFAOYSA-N 2 0 314.433 2.601 20 0 DFADRP CC[NH2+]CC1CC[NH+]([C@@H](C)C(=O)Nc2cccc(C)c2)CC1 ZINC000430552123 296794136 /nfs/dbraw/zinc/79/41/36/296794136.db2.gz MUPXUZMYLOXSRA-HNNXBMFYSA-N 2 0 303.450 2.644 20 0 DFADRP C[C@@H]([NH2+]C(C)(C)CNC(=O)C1(C[NH3+])CCCC1)c1ccccc1 ZINC000430912533 296811390 /nfs/dbraw/zinc/81/13/90/296811390.db2.gz MCLUOYCFIHQOAE-OAHLLOKOSA-N 2 0 317.477 2.751 20 0 DFADRP Cc1ccc(C)c(NC(=O)[C@H](C)[NH+]2CCC([C@@H](C)[NH3+])CC2)c1 ZINC000430919502 296812142 /nfs/dbraw/zinc/81/21/42/296812142.db2.gz QUSMUMZXLKKXDG-CABCVRRESA-N 2 0 303.450 2.690 20 0 DFADRP C[C@@H]([NH2+]CC1CC[NH+](CCO)CC1)C(C)(C)c1ccccc1 ZINC000151794419 287020583 /nfs/dbraw/zinc/02/05/83/287020583.db2.gz ITODZUPPWONOCR-MRXNPFEDSA-N 2 0 304.478 2.647 20 0 DFADRP CC(C)C[C@H](C[NH+](C)C)NC(=O)C[C@H](c1ccccc1)[NH+](C)C ZINC000431852197 296853028 /nfs/dbraw/zinc/85/30/28/296853028.db2.gz VHUQFBILYKHGBM-QZTJIDSGSA-N 2 0 319.493 2.772 20 0 DFADRP C[C@@H](C[NH2+]Cc1csc(Cl)c1Cl)N1CC[NH+](C)CC1 ZINC000432249153 296868956 /nfs/dbraw/zinc/86/89/56/296868956.db2.gz CSBJTEQYWDICMS-JTQLQIEISA-N 2 0 322.305 2.780 20 0 DFADRP COc1ccc(O[C@H](C)C[NH2+][C@@H]2C[C@H](C)[N@H+](C)C[C@H]2C)cc1 ZINC000129016750 196012388 /nfs/dbraw/zinc/01/23/88/196012388.db2.gz UPTUBLZILRVHAD-BASYENTBSA-N 2 0 306.450 2.781 20 0 DFADRP CCCCC[NH+]1CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC1 ZINC000130692513 196101471 /nfs/dbraw/zinc/10/14/71/196101471.db2.gz LWXIOJSBFXSEQK-UHFFFAOYSA-N 2 0 311.514 2.593 20 0 DFADRP C[C@@H]([NH2+]C[C@H](C)N(C)C1CC1)c1ccc(OCC[NH+](C)C)cc1 ZINC000130729187 196104018 /nfs/dbraw/zinc/10/40/18/196104018.db2.gz YUAYXRVERHOGKT-JKSUJKDBSA-N 2 0 319.493 2.760 20 0 DFADRP C[C@@H](CNC1CC[NH+](CCc2ccccc2)CC1)[N@H+](C)C1CC1 ZINC000130849024 196115618 /nfs/dbraw/zinc/11/56/18/196115618.db2.gz JGQPMSNOCXHGNP-KRWDZBQOSA-N 2 0 315.505 2.766 20 0 DFADRP CCCCOCCC[NH2+][C@@H]1CC[N@H+](C[C@@H]2CCCO2)C[C@@H]1C ZINC000132039198 196220978 /nfs/dbraw/zinc/22/09/78/196220978.db2.gz PVTNCUBCMZZVLK-OKZBNKHCSA-N 2 0 312.498 2.672 20 0 DFADRP Cc1ccc([C@H](C)[NH2+]C[C@@H](C(C)C)N2CC[NH+](C)CC2)cc1 ZINC000132320796 196245635 /nfs/dbraw/zinc/24/56/35/196245635.db2.gz RGNBBTUSZHZZEA-HKUYNNGSSA-N 2 0 303.494 2.918 20 0 DFADRP CC(C)[C@H](C[NH2+][C@@H](C)c1ccc(F)cc1)N1CC[NH+](C)CC1 ZINC000132325671 196246086 /nfs/dbraw/zinc/24/60/86/196246086.db2.gz XVVUEYCMWSLPIT-YJBOKZPZSA-N 2 0 307.457 2.748 20 0 DFADRP C[C@@H](CSC(C)(C)C)[NH2+]C1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000132957713 196299382 /nfs/dbraw/zinc/29/93/82/196299382.db2.gz JKDNDHAYMFYSPT-GJZGRUSLSA-N 2 0 314.539 2.997 20 0 DFADRP Cc1cccc(NC(=O)[C@H](C)[NH+]2CCC(CC[NH+](C)C)CC2)c1 ZINC000054337888 425890022 /nfs/dbraw/zinc/89/00/22/425890022.db2.gz OLGWJTNFRPBETP-INIZCTEOSA-N 2 0 317.477 2.986 20 0 DFADRP CC[C@]1(C(=O)Nc2ccc(CC[NH+]3CCCC3)cc2)CCC[NH2+]1 ZINC000134579592 196403770 /nfs/dbraw/zinc/40/37/70/196403770.db2.gz MZJMUFSSYNRXER-LJQANCHMSA-N 2 0 315.461 2.796 20 0 DFADRP C[C@@H]1CCCC[C@@H]1C[N@@H+]1CCC[C@@H](CN2CC[NH+](C)CC2)C1 ZINC000377623453 287283053 /nfs/dbraw/zinc/28/30/53/287283053.db2.gz JLNXYIFPNSZPOR-CEXWTWQISA-N 2 0 307.526 2.772 20 0 DFADRP C[C@@H]1CCCC[C@@H]1C[N@@H+]1CCN(C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000368051549 287283530 /nfs/dbraw/zinc/28/35/30/287283530.db2.gz NPRUBKIBVFYDCJ-FGTMMUONSA-N 2 0 307.526 2.913 20 0 DFADRP CC[C@@H]([NH2+]C1CCN(CC[NH+](C)C)CC1)c1ccc(OC)cc1 ZINC000150970897 196610463 /nfs/dbraw/zinc/61/04/63/196610463.db2.gz DEPBFKNMOAWABL-LJQANCHMSA-N 2 0 319.493 2.762 20 0 DFADRP CCC[N@@H+]1CC[C@H](CNC(=O)Nc2cccc(C[NH+](C)C)c2)C1 ZINC000054806365 425891355 /nfs/dbraw/zinc/89/13/55/425891355.db2.gz SJGYDLLOYLDCHX-MRXNPFEDSA-N 2 0 318.465 2.602 20 0 DFADRP CC[NH+](CC)[C@@H]1CCN(C(=O)C[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC000433372199 296909346 /nfs/dbraw/zinc/90/93/46/296909346.db2.gz DGIJRDCFPDFGQE-MSOLQXFVSA-N 2 0 317.477 2.622 20 0 DFADRP Cc1ccccc1[C@@H]([NH3+])C(=O)Nc1ccc(CC[NH+](C)C)cc1 ZINC000295602429 225036456 /nfs/dbraw/zinc/03/64/56/225036456.db2.gz CZWKNQNGXYZMAG-GOSISDBHSA-N 2 0 311.429 2.738 20 0 DFADRP Cc1ncc(CN2CCC[C@H](c3noc(C(C)C)n3)C2)n1C ZINC000667571843 543633919 /nfs/dbraw/zinc/63/39/19/543633919.db2.gz DTQBQBGPFAWWGD-ZDUSSCGKSA-N 2 0 303.410 2.615 20 0 DFADRP Cn1ncc(C2CC2)c1C[N@@H+]1CC[C@@H](CNc2ccccn2)C1 ZINC000667576912 543634967 /nfs/dbraw/zinc/63/49/67/543634967.db2.gz YYCOHPBWSOJLEZ-AWEZNQCLSA-N 2 0 311.433 2.627 20 0 DFADRP C[NH+]1CCC(C[NH2+][C@H]2CCC[C@@H]3C[C@@H]32)(N2CCCCC2)CC1 ZINC000667879764 543696888 /nfs/dbraw/zinc/69/68/88/543696888.db2.gz AHVREOQPZSIRBK-SQNIBIBYSA-N 2 0 305.510 2.715 20 0 DFADRP c1ccc(CN2CCC[C@H]([NH2+][C@@H]3CO[C@@H](C4CC4)C3)C2)cc1 ZINC000667884180 543697513 /nfs/dbraw/zinc/69/75/13/543697513.db2.gz NNTZRVQALMPOTK-GBESFXJTSA-N 2 0 300.446 2.808 20 0 DFADRP OC1CC[NH+](Cc2ccc(C[NH2+][C@H]3CCC[C@@H]4C[C@@H]43)cc2)CC1 ZINC000667756374 543673039 /nfs/dbraw/zinc/67/30/39/543673039.db2.gz TVWNDCBAPTYDBI-HOJAQTOUSA-N 2 0 314.473 2.922 20 0 DFADRP CC[N@@H+]1CC[C@@H](C[NH2+][C@H](C)COc2ccc(CCOC)cc2)C1 ZINC000667792565 543680416 /nfs/dbraw/zinc/68/04/16/543680416.db2.gz CSOVFVJTUHGBPA-AEFFLSMTSA-N 2 0 320.477 2.574 20 0 DFADRP COCC[N@H+](Cc1ccnn1-c1cc[nH+]cc1)[C@@H]1CC[C@H](C)C1 ZINC000668055995 543731629 /nfs/dbraw/zinc/73/16/29/543731629.db2.gz PXASLVTZNVWJQU-DOTOQJQBSA-N 2 0 314.433 2.904 20 0 DFADRP O[C@H]1CC[N@H+](Cc2ccccc2C[NH2+][C@H]2CCC[C@@H]3C[C@@H]32)C1 ZINC000667961946 543713926 /nfs/dbraw/zinc/71/39/26/543713926.db2.gz BYWKFWWZUNOURA-FCLVOEFKSA-N 2 0 300.446 2.531 20 0 DFADRP O[C@@H]1CC[N@H+](Cc2ccccc2C[NH2+][C@H]2CCC[C@@H]3C[C@@H]32)C1 ZINC000667961948 543713952 /nfs/dbraw/zinc/71/39/52/543713952.db2.gz BYWKFWWZUNOURA-OAOYMFHYSA-N 2 0 300.446 2.531 20 0 DFADRP CC[C@H](C)[NH+]1CCN(C(=O)Nc2ccn3cc(C)nc3c2)CC1 ZINC000668165825 543756191 /nfs/dbraw/zinc/75/61/91/543756191.db2.gz HGXWHXBNGHSFNU-AWEZNQCLSA-N 2 0 315.421 2.591 20 0 DFADRP C[NH+](C)CCCOc1cnccc1C[NH2+][C@H]1CCC[C@@H]2C[C@@H]21 ZINC000668175226 543760003 /nfs/dbraw/zinc/76/00/03/543760003.db2.gz OUXPLUZQSIUWTP-PVAVHDDUSA-N 2 0 303.450 2.690 20 0 DFADRP C[C@H](CN1CCC(C)CC1)[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000668617005 543837327 /nfs/dbraw/zinc/83/73/27/543837327.db2.gz TXHIAWUQBDXETC-QGZVFWFLSA-N 2 0 316.493 2.760 20 0 DFADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)[C@H]1CCCC2(CC2)C1 ZINC000668665941 543843337 /nfs/dbraw/zinc/84/33/37/543843337.db2.gz APFKWXSBWYQZNM-KRWDZBQOSA-N 2 0 323.525 2.689 20 0 DFADRP Cc1ccccc1[C@H]([NH3+])C(=O)NCCCC[N@H+]1CCC[C@H](C)C1 ZINC000296570250 226003408 /nfs/dbraw/zinc/00/34/08/226003408.db2.gz VZFHKZHNCOIIMP-YJBOKZPZSA-N 2 0 317.477 2.623 20 0 DFADRP C[C@@H]1CCC[C@@H](C)[NH+]1CC(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000249358936 287389002 /nfs/dbraw/zinc/38/90/02/287389002.db2.gz SAVIXTQJOQDHDB-JFIYKMOQSA-N 2 0 317.477 2.668 20 0 DFADRP C[C@H](C[NH2+]CCCN1CCN(c2cc[nH+]cc2)CC1)C(C)(C)C ZINC000670266956 544031019 /nfs/dbraw/zinc/03/10/19/544031019.db2.gz JNQBPVLRCBNFLY-QGZVFWFLSA-N 2 0 318.509 2.866 20 0 DFADRP C[NH+]1CCN(C(C)(C)C[NH2+]C/C=C/c2ccc(F)c(F)c2)CC1 ZINC000671706807 544100093 /nfs/dbraw/zinc/10/00/93/544100093.db2.gz FXBKHFPOOHMDOG-SNAWJCMRSA-N 2 0 323.431 2.594 20 0 DFADRP C[C@H]([NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1)c1ccc2[nH]c(=O)oc2c1 ZINC000671740774 544104803 /nfs/dbraw/zinc/10/48/03/544104803.db2.gz COVJLNGVBWMHNO-RYUDHWBXSA-N 2 0 301.390 2.668 20 0 DFADRP CCC[N@@H+]1CC[C@H](C[NH2+][C@@H](C)c2ccc3[nH]c(=O)oc3c2)C1 ZINC000671742512 544105065 /nfs/dbraw/zinc/10/50/65/544105065.db2.gz DHKNACIIFPLSJK-QWHCGFSZSA-N 2 0 303.406 2.916 20 0 DFADRP COc1ccc2c(c1)OCC[C@@H]2[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@H]21 ZINC000671748410 544106068 /nfs/dbraw/zinc/10/60/68/544106068.db2.gz GUPFXFHBTVIOPA-RANZSIQMSA-N 2 0 316.445 2.981 20 0 DFADRP C[N@@H+]1CC[C@H]([NH2+]C[C@H](CO)c2ccc(Cl)cc2)[C@H]2CCC[C@@H]21 ZINC000672618896 544143758 /nfs/dbraw/zinc/14/37/58/544143758.db2.gz FLBCXEDYNNXXNV-BGTYHANMSA-N 2 0 322.880 2.878 20 0 DFADRP OC[C@H](C[NH2+]C1CC[NH+](CC2CC2)CC1)c1ccc(Cl)cc1 ZINC000672619279 544143798 /nfs/dbraw/zinc/14/37/98/544143798.db2.gz LHFMWLHVHBKZBB-INIZCTEOSA-N 2 0 322.880 2.880 20 0 DFADRP C[C@H]([NH2+]C[C@H](CO)c1ccc(Cl)cc1)C1CC[NH+](C)CC1 ZINC000672620545 544144054 /nfs/dbraw/zinc/14/40/54/544144054.db2.gz NDWXQYBELWKIKS-XJKSGUPXSA-N 2 0 310.869 2.736 20 0 DFADRP C[N@@H+]1CC[C@H]([NH2+]C[C@H](CO)c2ccc(Cl)cc2)[C@@H]2CCC[C@@H]21 ZINC000672618911 544144061 /nfs/dbraw/zinc/14/40/61/544144061.db2.gz FLBCXEDYNNXXNV-UBDQQSCGSA-N 2 0 322.880 2.878 20 0 DFADRP CCO[C@H](CC[NH+](C)C)C[NH2+]Cc1ccnc(Cl)c1Cl ZINC000290976340 222042897 /nfs/dbraw/zinc/04/28/97/222042897.db2.gz YDKMGAJDCWZQGH-GFCCVEGCSA-N 2 0 320.264 2.835 20 0 DFADRP C[C@@H](CC[NH2+]Cc1c[nH]c2nccnc12)[N@H+](C)Cc1ccccc1 ZINC000290977837 222045958 /nfs/dbraw/zinc/04/59/58/222045958.db2.gz YGIYAHUNLLFDFA-HNNXBMFYSA-N 2 0 323.444 2.958 20 0 DFADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]C[C@H]1CCN(c2ccccc2F)C1 ZINC000291133512 222162515 /nfs/dbraw/zinc/16/25/15/222162515.db2.gz HAUWVMBMBIXFBG-KONPQCLYSA-N 2 0 319.468 2.970 20 0 DFADRP Cc1nccn1[C@H]1CCCN(Cc2cn3cc(C)ccc3n2)C1 ZINC000674492118 544242384 /nfs/dbraw/zinc/24/23/84/544242384.db2.gz KYXREGQCOFYASQ-KRWDZBQOSA-N 2 0 309.417 2.985 20 0 DFADRP C[C@H]([NH2+]Cc1ccccc1Cn1ccnc1)C1CC[NH+](C)CC1 ZINC000675739741 544332910 /nfs/dbraw/zinc/33/29/10/544332910.db2.gz SBTMNHIJPBXMSO-INIZCTEOSA-N 2 0 312.461 2.751 20 0 DFADRP C[C@H]([NH2+][C@@H]1CCC[C@@H](O)C1)c1ccc(OCC[NH+](C)C)cc1 ZINC000675766792 544334462 /nfs/dbraw/zinc/33/44/62/544334462.db2.gz OLZFBANPVMRJEI-USXIJHARSA-N 2 0 306.450 2.581 20 0 DFADRP C[C@H]([NH2+][C@H]1CCC[C@H](O)C1)c1cccc(OCC[NH+](C)C)c1 ZINC000675766218 544334609 /nfs/dbraw/zinc/33/46/09/544334609.db2.gz FFNIHHJTETZGJJ-XIRDDKMYSA-N 2 0 306.450 2.581 20 0 DFADRP C[C@@H]([NH2+]C[C@H](C)N1CCc2ccccc21)C1CC[NH+](C)CC1 ZINC000675775972 544335364 /nfs/dbraw/zinc/33/53/64/544335364.db2.gz DEEOGDUYNUQLCZ-JKSUJKDBSA-N 2 0 301.478 2.758 20 0 DFADRP COc1cccc(N2CC[C@H]([NH2+][C@@H](C)C3CC[NH+](C)CC3)C2)c1 ZINC000675810598 544338160 /nfs/dbraw/zinc/33/81/60/544338160.db2.gz IQBLCRQYGFTVRU-RDJZCZTQSA-N 2 0 317.477 2.594 20 0 DFADRP CC[N@@H+]1CC[C@@H]([NH2+]CCCOc2ccccc2OC)[C@H](C)C1 ZINC000675813757 544338467 /nfs/dbraw/zinc/33/84/67/544338467.db2.gz LCNSCCMHGNONDI-HZPDHXFCSA-N 2 0 306.450 2.784 20 0 DFADRP CC(C)[C@@H]1CCCC[C@H]1[NH2+][C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000675875124 544341492 /nfs/dbraw/zinc/34/14/92/544341492.db2.gz RGBXPLIWDMCSBQ-NZSAHSFTSA-N 2 0 307.526 2.959 20 0 DFADRP C[C@H]([NH2+][C@@H]1CCCN(c2ccccc2)C1=O)C1CC[NH+](C)CC1 ZINC000675884323 544341816 /nfs/dbraw/zinc/34/18/16/544341816.db2.gz SOZYACUASWJGMN-MAUKXSAKSA-N 2 0 315.461 2.502 20 0 DFADRP C[C@@H]([NH2+][C@H]1CCCN(c2ccccc2)C1=O)C1CC[NH+](C)CC1 ZINC000675884325 544342028 /nfs/dbraw/zinc/34/20/28/544342028.db2.gz SOZYACUASWJGMN-QAPCUYQASA-N 2 0 315.461 2.502 20 0 DFADRP CC[C@@H]([NH2+][C@@H](C)C1CC[NH+](C)CC1)c1nnc2n1CCCCC2 ZINC000675804515 544337752 /nfs/dbraw/zinc/33/77/52/544337752.db2.gz BGGZFODUGYIPIB-GOEBONIOSA-N 2 0 319.497 2.776 20 0 DFADRP C[C@H]1C[N@H+](C)CC[C@H]1NCC[NH+]1CCC2(CCCCC2)CC1 ZINC000442868241 297208871 /nfs/dbraw/zinc/20/88/71/297208871.db2.gz NJBLSFFJORPTCV-ZWKOTPCHSA-N 2 0 307.526 2.963 20 0 DFADRP CCC[NH+]1CCC([NH2+][C@H]2CCN(C(=O)C(C)C)C[C@@H]2CC)CC1 ZINC000675916094 544344080 /nfs/dbraw/zinc/34/40/80/544344080.db2.gz ARRWSVHRGXRAQK-WMZOPIPTSA-N 2 0 323.525 2.734 20 0 DFADRP CCC[NH+]1CCC([NH2+][C@H]2CCN(C(=O)C(C)C)C[C@H]2CC)CC1 ZINC000675916090 544344306 /nfs/dbraw/zinc/34/43/06/544344306.db2.gz ARRWSVHRGXRAQK-AEFFLSMTSA-N 2 0 323.525 2.734 20 0 DFADRP CC(C)[NH+]1CCC(O)(C[NH2+]Cc2cscc2Cl)CC1 ZINC000676419359 544375617 /nfs/dbraw/zinc/37/56/17/544375617.db2.gz NJLQFCVBWNCGNA-UHFFFAOYSA-N 2 0 302.871 2.726 20 0 DFADRP CC1CC[NH+](C2CCC(NC(=O)[C@H]3CCCC[N@@H+]3C)CC2)CC1 ZINC000676995955 544419069 /nfs/dbraw/zinc/41/90/69/544419069.db2.gz HZIHRBHJTSPCEK-DAWZGUTISA-N 2 0 321.509 2.630 20 0 DFADRP C[C@@H]1C[C@@H](CC[NH2+]Cc2ccn(C)n2)C[N@@H+]1Cc1ccccc1 ZINC000677129234 544438090 /nfs/dbraw/zinc/43/80/90/544438090.db2.gz OMJTVSLJHOZJQN-SJLPKXTDSA-N 2 0 312.461 2.810 20 0 DFADRP c1cn([C@@H]2CCC[N@@H+](CCN3CCCc4ccccc43)C2)cn1 ZINC000677763813 544539154 /nfs/dbraw/zinc/53/91/54/544539154.db2.gz KAQCGCOVESGBDC-GOSISDBHSA-N 2 0 310.445 2.973 20 0 DFADRP CC[NH+](CC)CCN[C@@H]1C[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC000677805779 544543579 /nfs/dbraw/zinc/54/35/79/544543579.db2.gz POIIPZZGVLBPTP-SFHVURJKSA-N 2 0 303.494 2.971 20 0 DFADRP COC1CC[NH+](Cc2ccc(OCC[NH+]3CCCC3)cc2)CC1 ZINC000678128447 544605509 /nfs/dbraw/zinc/60/55/09/544605509.db2.gz VVOBHUPPBBBMPP-UHFFFAOYSA-N 2 0 318.461 2.772 20 0 DFADRP C[NH+](C)CCOc1ccc(C[N@@H+]2CCC[C@@H]3COCC[C@@H]32)cc1 ZINC000678333589 544652695 /nfs/dbraw/zinc/65/26/95/544652695.db2.gz DRESFXLZYPSFRD-MJGOQNOKSA-N 2 0 318.461 2.628 20 0 DFADRP C[NH+](C)CCOc1ccc(C[N@@H+]2CCCOC(C)(C)C2)cc1 ZINC000678272014 544640281 /nfs/dbraw/zinc/64/02/81/544640281.db2.gz ZAKPLJPLOYTMMZ-UHFFFAOYSA-N 2 0 306.450 2.628 20 0 DFADRP CC[N@@H+]1CC[C@H](N(C)Cc2cn3cccc(F)c3n2)C[C@@H]1C ZINC000678276599 544641151 /nfs/dbraw/zinc/64/11/51/544641151.db2.gz KEPUFUZVXRHKHN-ZFWWWQNUSA-N 2 0 304.413 2.778 20 0 DFADRP C[C@@H]1COCCC[N@@H+]1Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000678275332 544641493 /nfs/dbraw/zinc/64/14/93/544641493.db2.gz VUJMHGYHDZZDFA-QGZVFWFLSA-N 2 0 318.461 2.772 20 0 DFADRP CCC[NH+]1CCC([NH2+]CCc2nnc(-c3ccccc3)o2)CC1 ZINC000678774953 544720384 /nfs/dbraw/zinc/72/03/84/544720384.db2.gz VGEBOSIGVRIUPQ-UHFFFAOYSA-N 2 0 314.433 2.743 20 0 DFADRP Cc1ccc([C@H](C)[NH2+]C2CC[NH+]([C@H]3CCC[C@H]3O)CC2)c(C)n1 ZINC000678598086 544699713 /nfs/dbraw/zinc/69/97/13/544699713.db2.gz AASSZXOJPIYFRC-ZYSHUDEJSA-N 2 0 317.477 2.727 20 0 DFADRP CC[NH+]1CCN(CCC[NH2+][C@@H]2c3ccccc3CC[C@@H]2C)CC1 ZINC000678766117 544716848 /nfs/dbraw/zinc/71/68/48/544716848.db2.gz MBSSGEXYHYQVOR-PXNSSMCTSA-N 2 0 315.505 2.927 20 0 DFADRP CC[N@@H+]1C[C@H](C)[C@H](NC2CC[NH+]([C@@H]3CCCC[C@H]3C)CC2)C1 ZINC000679074241 544779827 /nfs/dbraw/zinc/77/98/27/544779827.db2.gz AFMSBZCFQZDTLH-UKBAYJJMSA-N 2 0 307.526 2.959 20 0 DFADRP C[C@H]([NH2+]CCc1cc(F)c(F)c(F)c1)C1CC[NH+](C)CC1 ZINC000679575734 544880064 /nfs/dbraw/zinc/88/00/64/544880064.db2.gz QWHJBHQZSLSLMJ-NSHDSACASA-N 2 0 300.368 2.966 20 0 DFADRP CO[C@@H]1CCC[N@H+](CC[C@@H](C)[NH+]2CCC[C@H](OC)CC2)CC1 ZINC000679953998 544933452 /nfs/dbraw/zinc/93/34/52/544933452.db2.gz OBHIYUBYBUGDBY-KURKYZTESA-N 2 0 312.498 2.767 20 0 DFADRP c1n[nH]cc1C[NH2+][C@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000680146653 544963699 /nfs/dbraw/zinc/96/36/99/544963699.db2.gz ZWIYIHGCOIZXKA-FHWLQOOXSA-N 2 0 310.445 2.800 20 0 DFADRP CCCC[N@H+](C)CC1CC[NH+]([C@H](C)C(=O)N(CC)CC)CC1 ZINC000066960709 425907722 /nfs/dbraw/zinc/90/77/22/425907722.db2.gz VXOSFGYFOJUBRW-MRXNPFEDSA-N 2 0 311.514 2.687 20 0 DFADRP COc1ccc([C@H](C)[NH2+]CC2CC[NH+](CCN(C)C)CC2)cc1 ZINC000124507042 425922871 /nfs/dbraw/zinc/92/28/71/425922871.db2.gz XGVNMFBXWANFFE-INIZCTEOSA-N 2 0 319.493 2.619 20 0 DFADRP CCOc1ccccc1[C@@H](C)[NH2+]C[C@@H](C)N1CC[NH+](CC)CC1 ZINC000155718472 425924769 /nfs/dbraw/zinc/92/47/69/425924769.db2.gz RYXOCTLRWPDWKD-IAGOWNOFSA-N 2 0 319.493 2.762 20 0 DFADRP C[C@H]([NH2+]CCCN1CC[NH+](C)CC1)c1ccc(F)c(Cl)c1 ZINC000020548847 267380807 /nfs/dbraw/zinc/38/08/07/267380807.db2.gz OBZXIRXOHLDAHX-ZDUSSCGKSA-N 2 0 313.848 2.767 20 0 DFADRP Cc1ccc(C)c2c1CCC[C@@H]2[NH2+]C[C@H](C)N1CC[NH+](C)CC1 ZINC000186154568 267808775 /nfs/dbraw/zinc/80/87/75/267808775.db2.gz VLUBOBVXRAZQHN-HKUYNNGSSA-N 2 0 315.505 2.906 20 0 DFADRP C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)c2c[nH+]ccc2N)CC1 ZINC000188184838 267891876 /nfs/dbraw/zinc/89/18/76/267891876.db2.gz AKLSEYHJWFCLBT-AWEZNQCLSA-N 2 0 324.428 2.619 20 0 DFADRP C[C@H]1CCCC[N@@H+]1CCNC(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000046374554 425864851 /nfs/dbraw/zinc/86/48/51/425864851.db2.gz YEXPGMMCRWTPCQ-HNNXBMFYSA-N 2 0 318.465 2.744 20 0 DFADRP Clc1ccc(N2CC[NH+](CCC3CC[NH2+]CC3)CC2)cc1 ZINC000036156141 425845438 /nfs/dbraw/zinc/84/54/38/425845438.db2.gz JVRFLQXSSLHZIH-UHFFFAOYSA-N 2 0 307.869 2.852 20 0 DFADRP CC1CC[NH+](CCNC(=O)Nc2cccc(C[NH+](C)C)c2)CC1 ZINC000044276596 425855708 /nfs/dbraw/zinc/85/57/08/425855708.db2.gz KTXWYAXJNADHBT-UHFFFAOYSA-N 2 0 318.465 2.602 20 0 DFADRP C[NH+](C)[C@@H](CNC(=O)C[NH2+][C@@H]1CCCC1(C)C)c1ccccc1 ZINC000191852471 268016741 /nfs/dbraw/zinc/01/67/41/268016741.db2.gz MQKUJQSHVGOYTC-DLBZAZTESA-N 2 0 317.477 2.574 20 0 DFADRP CC(C)[NH+]1CCN(CCC[N@H+](C)CCc2cccs2)CC1 ZINC000192748266 268047247 /nfs/dbraw/zinc/04/72/47/268047247.db2.gz DNHHZLNIDOEUFF-UHFFFAOYSA-N 2 0 309.523 2.639 20 0 DFADRP CCC[C@H](C)[NH+]1CCC(C(=O)NCCC[NH+]2CCCCC2)CC1 ZINC000192776184 268048011 /nfs/dbraw/zinc/04/80/11/268048011.db2.gz KKZCDGKYZHUOCA-KRWDZBQOSA-N 2 0 323.525 2.879 20 0 DFADRP OC[C@H]1CCC[N@@H+]1CCCC[NH2+][C@@H]1CCCNc2ccccc21 ZINC000192851029 268051896 /nfs/dbraw/zinc/05/18/96/268051896.db2.gz OOTONAPVHLGERK-VQIMIIECSA-N 2 0 317.477 2.760 20 0 DFADRP C[C@@H](NCC[C@H](C)[N@H+](C)Cc1ccccc1)c1ccnn1C ZINC000192924229 268054065 /nfs/dbraw/zinc/05/40/65/268054065.db2.gz WVBDMVTVLQZIPZ-JKSUJKDBSA-N 2 0 300.450 2.981 20 0 DFADRP CC(C)[N@H+](C)Cc1cccc(CNC(=O)C2(C[NH3+])CCCC2)c1 ZINC000236662925 268148385 /nfs/dbraw/zinc/14/83/85/268148385.db2.gz JJMFZAWNFFESJW-UHFFFAOYSA-N 2 0 317.477 2.662 20 0 DFADRP C[NH+](C)Cc1cccc(NC(=O)[C@@H]2CCCCCC[C@H]2[NH3+])c1 ZINC000237060374 268153374 /nfs/dbraw/zinc/15/33/74/268153374.db2.gz FQIKOSSGGUSLQO-IAGOWNOFSA-N 2 0 303.450 2.984 20 0 DFADRP C[NH+](C)[C@H](CNC(=O)[C@H]1CCCCCC[C@@H]1[NH3+])c1ccccc1 ZINC000237199492 268154998 /nfs/dbraw/zinc/15/49/98/268154998.db2.gz YWJGZPXPOBQQDP-OKZBNKHCSA-N 2 0 317.477 2.703 20 0 DFADRP COc1ccc(C[NH2+]C[C@H]2CCC[NH2+]C2)cc1Br ZINC000259178460 268168393 /nfs/dbraw/zinc/16/83/93/268168393.db2.gz ZBUZGTPEPWRJHT-LBPRGKRZSA-N 2 0 313.239 2.547 20 0 DFADRP COc1ccc(Br)cc1C[NH2+]C(C)(C)CC[NH3+] ZINC000258677387 268168873 /nfs/dbraw/zinc/16/88/73/268168873.db2.gz AMNNUDUKIIEDCC-UHFFFAOYSA-N 2 0 301.228 2.675 20 0 DFADRP Cc1cnn(CC[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)c1 ZINC000270650348 268196050 /nfs/dbraw/zinc/19/60/50/268196050.db2.gz QIBWKKKWDRJBCY-HKUYNNGSSA-N 2 0 312.461 2.692 20 0 DFADRP Cc1ccccc1C[NH+]1CCC(N2CC[NH+](C(C)C)CC2)CC1 ZINC000270852909 268226105 /nfs/dbraw/zinc/22/61/05/268226105.db2.gz HBJIGAOPMPPMBZ-UHFFFAOYSA-N 2 0 315.505 2.985 20 0 DFADRP C[N@@H+]1CCN(CC[NH2+][C@H]2CCCNc3ccccc32)CC1(C)C ZINC000282146117 268272071 /nfs/dbraw/zinc/27/20/71/268272071.db2.gz CKEVBDBXYQGXBW-SFHVURJKSA-N 2 0 316.493 2.549 20 0 DFADRP C[C@@H]1Cc2ccccc2[C@H]1[NH2+]CCCC[N@@H+]1CCC[C@H]1CO ZINC000305125446 268329633 /nfs/dbraw/zinc/32/96/33/268329633.db2.gz KZZOEMBZSFYWSI-AYBZRNKSSA-N 2 0 302.462 2.746 20 0 DFADRP CCC[NH+]1CCC([NH2+][C@H](C)[C@@H](C)NC(=O)OC(C)(C)C)CC1 ZINC000309834705 268335806 /nfs/dbraw/zinc/33/58/06/268335806.db2.gz UDHWQCYTFAPAMZ-ZIAGYGMSSA-N 2 0 313.486 2.752 20 0 DFADRP CC[N@@H+]1CC[C@@H](C[NH2+][C@H](C)CCCNC(=O)OC(C)(C)C)C1 ZINC000309976207 268336769 /nfs/dbraw/zinc/33/67/69/268336769.db2.gz RGTPIFVWAXCUBD-CABCVRRESA-N 2 0 313.486 2.611 20 0 DFADRP Cn1cnc(CC[NH2+]Cc2cc(Cl)c3c(c2)OCCCO3)c1 ZINC000313255876 268339516 /nfs/dbraw/zinc/33/95/16/268339516.db2.gz XKCHHNCPONUKCL-UHFFFAOYSA-N 2 0 321.808 2.567 20 0 DFADRP CCOC(=O)N1CCC([NH2+][C@H](C)C[C@H]2CCCCC[NH2+]2)CC1 ZINC000316478618 268344501 /nfs/dbraw/zinc/34/45/01/268344501.db2.gz ZARPMXUVIYIQJQ-GDBMZVCRSA-N 2 0 311.470 2.508 20 0 DFADRP Cc1nn2c(C[NH2+][C@@H]3CCC[C@H]([NH3+])C3)c(C(C)C)nc2s1 ZINC000333103247 268375010 /nfs/dbraw/zinc/37/50/10/268375010.db2.gz FDSUABQHXHCUSJ-NWDGAFQWSA-N 2 0 307.467 2.582 20 0 DFADRP COc1ccc(Br)cc1C[NH+]1CCC(C[NH3+])CC1 ZINC000049596433 425879815 /nfs/dbraw/zinc/87/98/15/425879815.db2.gz AKJWSLOXCJPZLH-UHFFFAOYSA-N 2 0 313.239 2.628 20 0 DFADRP CCN(CC)C(=O)[C@@H](C)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000103229462 425938688 /nfs/dbraw/zinc/93/86/88/425938688.db2.gz FNUHYXQXBKBRIR-QZTJIDSGSA-N 2 0 323.525 2.831 20 0 DFADRP CC[C@@H](C(=O)NC[C@H](c1ccsc1)[NH+](CC)CC)[NH+](C)C ZINC000124790681 425939199 /nfs/dbraw/zinc/93/91/99/425939199.db2.gz MNWOXFUCLJDKOC-LSDHHAIUSA-N 2 0 311.495 2.587 20 0 DFADRP CC[NH+]1CCN([C@H]2CC[N@H+](CCc3ccccc3Cl)C2)CC1 ZINC000107370954 425989686 /nfs/dbraw/zinc/98/96/86/425989686.db2.gz LMVDLPZEYYHJDV-KRWDZBQOSA-N 2 0 321.896 2.594 20 0 DFADRP CCC[NH+](CCC)CCCC(=O)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000107351389 425989759 /nfs/dbraw/zinc/98/97/59/425989759.db2.gz AFDXCIYEPAPGAW-QGZVFWFLSA-N 2 0 309.498 2.585 20 0 DFADRP CC(C)C[N@@H+]1CCC[C@H]1CNC(=O)c1cccc(C[NH+](C)C)c1 ZINC000125952032 425997594 /nfs/dbraw/zinc/99/75/94/425997594.db2.gz SYYMTHKVXFCEKQ-SFHVURJKSA-N 2 0 317.477 2.598 20 0 DFADRP C[C@H]([NH2+]Cc1cccnc1N1CC[NH+](C)CC1)C1CCCC1 ZINC000158524494 425943934 /nfs/dbraw/zinc/94/39/34/425943934.db2.gz ROFNFISGDKDOEE-HNNXBMFYSA-N 2 0 302.466 2.502 20 0 DFADRP C[C@H](CCn1cccn1)[NH2+]C1CC[NH+](CC2CCCC2)CC1 ZINC000158772780 425946974 /nfs/dbraw/zinc/94/69/74/425946974.db2.gz AKZBMCARSUSTHQ-MRXNPFEDSA-N 2 0 304.482 2.906 20 0 DFADRP C[C@@H]1CCCC[N@@H+]1CCC1CC[NH+](CC(=O)N(C)C2CC2)CC1 ZINC000158909625 425949457 /nfs/dbraw/zinc/94/94/57/425949457.db2.gz LBGNULWHPZFFCZ-MRXNPFEDSA-N 2 0 321.509 2.584 20 0 DFADRP CC(C)[C@H](CO)[N@H+](CC[C@@H]1CCC[NH+]1C)Cc1ccccc1 ZINC000125034310 425951094 /nfs/dbraw/zinc/95/10/94/425951094.db2.gz RVHFJGRQJGGJHM-OALUTQOASA-N 2 0 304.478 2.990 20 0 DFADRP CC[C@@H]1CCCCN1C(=O)C[N@@H+]1CC[C@H](C)[C@H](n2ccnc2)C1 ZINC000159012252 425952500 /nfs/dbraw/zinc/95/25/00/425952500.db2.gz NAZNRPOORUCLHM-GVDBMIGSSA-N 2 0 318.465 2.557 20 0 DFADRP Cc1c(CN2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)cnn1C ZINC000125140705 425955308 /nfs/dbraw/zinc/95/53/08/425955308.db2.gz LXAOBDSUOXMJER-KRWDZBQOSA-N 2 0 304.482 2.672 20 0 DFADRP C[C@@H]([NH2+]CC1(N2CCCCC2)CC[NH+](C)CC1)c1ccccn1 ZINC000159233201 425956567 /nfs/dbraw/zinc/95/65/67/425956567.db2.gz KKGVLARPYSSWCB-QGZVFWFLSA-N 2 0 316.493 2.683 20 0 DFADRP CC[NH+](CC)[C@@H](C(=O)NC[C@@H]1CCC[N@@H+]1CC)c1ccccc1 ZINC000104832264 425965249 /nfs/dbraw/zinc/96/52/49/425965249.db2.gz DCCRYVVQHDAINL-ZWKOTPCHSA-N 2 0 317.477 2.670 20 0 DFADRP COc1ccc(C[N@@H+]2CCC[C@@H](CC[NH3+])C2)c(Cl)c1OC ZINC000070169333 425968669 /nfs/dbraw/zinc/96/86/69/425968669.db2.gz NDYXJHVSCYEXSF-LBPRGKRZSA-N 2 0 312.841 2.918 20 0 DFADRP [NH3+]CC[C@H]1CCC[N@H+](Cc2csc(-c3ccccn3)n2)C1 ZINC000070170489 425969387 /nfs/dbraw/zinc/96/93/87/425969387.db2.gz HOYUFEFVPGXTHV-CYBMUJFWSA-N 2 0 302.447 2.766 20 0 DFADRP COC[C@H]([NH2+]C[C@H]1CCCN(Cc2cccs2)C1)C1CC1 ZINC000126910751 426042068 /nfs/dbraw/zinc/04/20/68/426042068.db2.gz QMXOIAJTZGCZAO-PBHICJAKSA-N 2 0 308.491 2.975 20 0 DFADRP Cn1ccnc1C[C@H]1CCC[N@H+](CCC[NH+]2CCCCC2)C1 ZINC000162131642 426053219 /nfs/dbraw/zinc/05/32/19/426053219.db2.gz ATJWCASFQYCELR-QGZVFWFLSA-N 2 0 304.482 2.551 20 0 DFADRP C[NH+]1CCN(CCC[NH2+][C@@H]2CCSc3ccc(F)cc32)CC1 ZINC000162477990 426066598 /nfs/dbraw/zinc/06/65/98/426066598.db2.gz ATVMMFUNPFZUGN-MRXNPFEDSA-N 2 0 323.481 2.590 20 0 DFADRP CC[C@H]([NH2+]Cc1cccc(OCC[NH+](C)C)c1)[C@@H]1CCOC1 ZINC000162581062 426069340 /nfs/dbraw/zinc/06/93/40/426069340.db2.gz RDUROMDMZXOFEO-AEFFLSMTSA-N 2 0 306.450 2.532 20 0 DFADRP C[C@@H](C[NH2+][C@@H](C)c1cc2c(s1)CCCC2)N1CC[NH+](C)CC1 ZINC000127490207 426069663 /nfs/dbraw/zinc/06/96/63/426069663.db2.gz KNXQXZCLPXDSON-GJZGRUSLSA-N 2 0 321.534 2.913 20 0 DFADRP C[C@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]CCc2cnn(C)c2)CC1 ZINC000127931848 426093304 /nfs/dbraw/zinc/09/33/04/426093304.db2.gz RIXXJNZZBGCDJK-YJBOKZPZSA-N 2 0 304.482 2.595 20 0 DFADRP [NH3+][C@@H](CC(=O)NCC[NH2+]C1CCCCCC1)c1ccccc1 ZINC000163278490 426095118 /nfs/dbraw/zinc/09/51/18/426095118.db2.gz MGNPDFMKKBBJFG-KRWDZBQOSA-N 2 0 303.450 2.505 20 0 DFADRP C[C@H]([NH2+]CCC[N@@H+]1CCC[C@H](C(N)=O)C1)c1cccc(Cl)c1 ZINC000128082437 426100962 /nfs/dbraw/zinc/10/09/62/426100962.db2.gz OZHCAHPXFRGHRW-ZFWWWQNUSA-N 2 0 323.868 2.578 20 0 DFADRP Cc1ccc([C@@H](C)[NH2+]CCC[N@@H+]2CCC[C@H](C(N)=O)C2)c(C)c1 ZINC000128129884 426104082 /nfs/dbraw/zinc/10/40/82/426104082.db2.gz QJBZLNYGZYMPEQ-SJORKVTESA-N 2 0 317.477 2.541 20 0 DFADRP CC[C@H](C)[NH2+]CCCC[NH+]1CCN(Cc2ccccc2)CC1 ZINC000163933769 426110131 /nfs/dbraw/zinc/11/01/31/426110131.db2.gz DLBIXDOUMKNGKQ-SFHVURJKSA-N 2 0 303.494 2.973 20 0 DFADRP C[C@H]([NH2+]CCCN1CCC[N@H+](C)CC1)c1cc(F)cc(F)c1 ZINC000128442705 426118390 /nfs/dbraw/zinc/11/83/90/426118390.db2.gz WMQFSNBLRANIOX-AWEZNQCLSA-N 2 0 311.420 2.643 20 0 DFADRP CC[C@H]([NH3+])C(=O)NCc1ccccc1C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000164846752 426118493 /nfs/dbraw/zinc/11/84/93/426118493.db2.gz RFMXQEBOQLZMEN-DAYGRLMNSA-N 2 0 317.477 2.518 20 0 DFADRP C[C@H](C(=O)NCCC[NH+]1CCCCCC1)[NH+]1[C@H](C)CC[C@H]1C ZINC000338029768 268604715 /nfs/dbraw/zinc/60/47/15/268604715.db2.gz OYLFRQURXYACRH-BRWVUGGUSA-N 2 0 309.498 2.630 20 0 DFADRP COC[C@H]([NH2+][C@@H](C)c1ccc(OCC[NH+](C)C)cc1)C(C)C ZINC000165877816 426124161 /nfs/dbraw/zinc/12/41/61/426124161.db2.gz XCAGOESIPSABGJ-YJBOKZPZSA-N 2 0 308.466 2.949 20 0 DFADRP C[C@H]([NH2+]C[C@@]1(C)CCCO1)c1ccc(OCC[NH+](C)C)cc1 ZINC000167019822 426131154 /nfs/dbraw/zinc/13/11/54/426131154.db2.gz DHAALFZRNBRDDG-MAUKXSAKSA-N 2 0 306.450 2.847 20 0 DFADRP Cc1cc(C)n(-c2ccc(C[N@H+]3CC[C@H](C[NH+](C)C)C3)cc2)n1 ZINC000114479579 426136788 /nfs/dbraw/zinc/13/67/88/426136788.db2.gz GTHLOKPVCVHSIJ-GOSISDBHSA-N 2 0 312.461 2.873 20 0 DFADRP Cc1nccn1-c1ccc(CN[C@@H](c2nccn2C)C2CC2)cn1 ZINC000127595601 426075040 /nfs/dbraw/zinc/07/50/40/426075040.db2.gz DOVAOXLXTUWVOY-QGZVFWFLSA-N 2 0 322.416 2.550 20 0 DFADRP CC[C@@H](O)C[N@H+](C)CC1(C)CC[NH+](Cc2ccccc2)CC1 ZINC000075717294 426082547 /nfs/dbraw/zinc/08/25/47/426082547.db2.gz KLARUNUFYCSXSO-GOSISDBHSA-N 2 0 304.478 2.991 20 0 DFADRP FC(F)(F)COCCC[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000075835786 426085709 /nfs/dbraw/zinc/08/57/09/426085709.db2.gz TXRRVNVLSQOJMU-AWEZNQCLSA-N 2 0 308.388 2.763 20 0 DFADRP CC[NH+]1CCN([C@H]2CC[N@H+](C[C@@H](C)c3ccccc3)C2)CC1 ZINC000116993831 426204119 /nfs/dbraw/zinc/20/41/19/426204119.db2.gz ODEPZAKIJKWOGH-MJGOQNOKSA-N 2 0 301.478 2.502 20 0 DFADRP CC[C@@H](C)[N@H+](C)CCNC(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000170718343 426147203 /nfs/dbraw/zinc/14/72/03/426147203.db2.gz JOZOCPFUKXUPLU-CQSZACIVSA-N 2 0 306.454 2.600 20 0 DFADRP C[NH+]1CCN(CCC[NH2+][C@H]2CC[C@@H](c3ccccc3)C2)CC1 ZINC000130318642 426154876 /nfs/dbraw/zinc/15/48/76/426154876.db2.gz KDYXZXYMPPIJFG-MOPGFXCFSA-N 2 0 301.478 2.550 20 0 DFADRP CC[NH+]1CCN([C@H]2CC[N@H+](Cc3cccc(Cl)c3)C2)CC1 ZINC000171527141 426192368 /nfs/dbraw/zinc/19/23/68/426192368.db2.gz BDKOMYYBBLUNNH-KRWDZBQOSA-N 2 0 307.869 2.552 20 0 DFADRP C[C@](O)(C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1)c1ccccc1 ZINC000134879233 426198034 /nfs/dbraw/zinc/19/80/34/426198034.db2.gz QLKMOZRRWDZCJN-AHRSYUTCSA-N 2 0 314.473 2.843 20 0 DFADRP CC[N@@H+]1CC[C@@H]([NH+](C)CCC(=O)Nc2cccc(F)c2)[C@H](C)C1 ZINC000081096502 426219663 /nfs/dbraw/zinc/21/96/63/426219663.db2.gz FVTSRNHLFANXEL-RHSMWYFYSA-N 2 0 321.440 2.816 20 0 DFADRP CCC[C@@H](C(=O)NCc1cccc(C[NH+]2CCCC2)c1)[NH+](C)C ZINC000135640462 426224586 /nfs/dbraw/zinc/22/45/86/426224586.db2.gz HPSJMLSOYRYQAE-SFHVURJKSA-N 2 0 317.477 2.629 20 0 DFADRP C[C@@H](C(=O)NCc1ccccc1C[NH+](C)C)[NH+]1CCCCCC1 ZINC000175027734 426274740 /nfs/dbraw/zinc/27/47/40/426274740.db2.gz XJUJRPKIVPOTLY-INIZCTEOSA-N 2 0 317.477 2.629 20 0 DFADRP C[C@@H]1C[C@@H](NC2CC[NH+](Cc3ccccc3)CC2)CC[N@@H+]1C ZINC000174514308 426259195 /nfs/dbraw/zinc/25/91/95/426259195.db2.gz MBBLXPVEYUQWOP-APWZRJJASA-N 2 0 301.478 2.723 20 0 DFADRP CCC[N@H+](C)C[C@@H]1CCN(Cc2nc3ccccc3n2C)C1 ZINC000174953572 426269962 /nfs/dbraw/zinc/26/99/62/426269962.db2.gz BBBMPZKNRZGFIH-HNNXBMFYSA-N 2 0 300.450 2.737 20 0 DFADRP CCC[N@H+](C)C[C@H]1CCN(Cc2nc3ccccc3n2C)C1 ZINC000174953594 426270098 /nfs/dbraw/zinc/27/00/98/426270098.db2.gz BBBMPZKNRZGFIH-OAHLLOKOSA-N 2 0 300.450 2.737 20 0 DFADRP CCC[N@H+](C)C[C@H]1CCN(Cc2cccc3c2OCCO3)C1 ZINC000174953491 426270366 /nfs/dbraw/zinc/27/03/66/426270366.db2.gz DWTJHAGUAPTIFF-OAHLLOKOSA-N 2 0 304.434 2.622 20 0 DFADRP CC[C@@H]([NH2+]C1CCN(CC[NH+](C)C)CC1)c1ccc(F)cc1 ZINC000150992019 426271325 /nfs/dbraw/zinc/27/13/25/426271325.db2.gz XIISEIIANXWUDH-GOSISDBHSA-N 2 0 307.457 2.892 20 0 DFADRP CCC[C@H](C)[C@H]1CCC[N@@H+]1CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000135331420 426214657 /nfs/dbraw/zinc/21/46/57/426214657.db2.gz UDFFDYXWFBKARI-MAUKXSAKSA-N 2 0 321.509 2.630 20 0 DFADRP CC(C)[C@@H](C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C)[NH+]1CCCCC1 ZINC000080718312 426215564 /nfs/dbraw/zinc/21/55/64/426215564.db2.gz GPRXUWOPRZFBKA-FBVQUNGASA-N 2 0 321.509 2.628 20 0 DFADRP CCc1nc2c(s1)[C@@H](NC[C@@H](O)C[NH+]1CCCCC1)CCC2 ZINC000151295982 426288486 /nfs/dbraw/zinc/28/84/86/426288486.db2.gz SUPOXYREJDXVCY-KGLIPLIRSA-N 2 0 323.506 2.519 20 0 DFADRP C[C@H](NC[C@@H](O)C[NH+]1CCCCC1)c1cc2ccccc2o1 ZINC000151339498 426290056 /nfs/dbraw/zinc/29/00/56/426290056.db2.gz CKDJDGDAKMPFGC-GOEBONIOSA-N 2 0 302.418 2.930 20 0 DFADRP CCc1ccc([C@@H](C)[NH2+]C[C@@H](C)CN2CC[NH+](CC)CC2)o1 ZINC000121401255 426339430 /nfs/dbraw/zinc/33/94/30/426339430.db2.gz HLQAPAYXDCUCNW-HZPDHXFCSA-N 2 0 307.482 2.766 20 0 DFADRP CCc1noc(C)c1C[NH+]1CCC(OCC[NH+]2CCCC2)CC1 ZINC000119540422 426295765 /nfs/dbraw/zinc/29/57/65/426295765.db2.gz DEEYFFHKINKQBZ-UHFFFAOYSA-N 2 0 321.465 2.622 20 0 DFADRP CC[N@@H+]1CC[C@H]([NH2+]CCc2nc3c(cccc3F)n2C)[C@H](C)C1 ZINC000089673882 426301554 /nfs/dbraw/zinc/30/15/54/426301554.db2.gz YKMWETCHGFRWJE-HIFRSBDPSA-N 2 0 318.440 2.575 20 0 DFADRP CCc1ccc([C@H](C)[NH2+]C[C@@H](C)CN2CC[NH+](C)CC2)cc1 ZINC000120822463 426316199 /nfs/dbraw/zinc/31/61/99/426316199.db2.gz XILVBVDDVNMEMY-SJORKVTESA-N 2 0 303.494 2.783 20 0 DFADRP COc1cccc([C@H](C)[N@H+](C)CC2CC[NH+](C[C@@H](C)O)CC2)c1 ZINC000175648116 426318906 /nfs/dbraw/zinc/31/89/06/426318906.db2.gz WPLDZAHKFZKMHL-CVEARBPZSA-N 2 0 320.477 2.781 20 0 DFADRP CC[NH+]1CCN(C[C@H](C)C[NH2+]C2C3CC4CC(C3)CC2C4)CC1 ZINC000121100938 426321681 /nfs/dbraw/zinc/32/16/81/426321681.db2.gz SPZBCGMKGYWMPZ-YDGYHQHPSA-N 2 0 319.537 2.674 20 0 DFADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]Cc1ccc(Cn2ccnc2)cc1 ZINC000152104654 426327076 /nfs/dbraw/zinc/32/70/76/426327076.db2.gz TUFONLWTNSNCRV-GPMSIDNRSA-N 2 0 312.461 2.750 20 0 DFADRP C[N@@H+]1CCC[C@@H]2C[NH+](CCN3CCCc4ccccc43)CC[C@@H]21 ZINC000090552608 426327106 /nfs/dbraw/zinc/32/71/06/426327106.db2.gz RTFPNCSXUYPFJV-MOPGFXCFSA-N 2 0 313.489 2.855 20 0 DFADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1[NH2+]CCc1nnc(-c2ccccc2)o1 ZINC000090659848 426329241 /nfs/dbraw/zinc/32/92/41/426329241.db2.gz QEIIEVODAHKLJJ-IJEWVQPXSA-N 2 0 314.433 2.597 20 0 DFADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]CCc1nnc(-c2ccccc2)o1 ZINC000090659837 426329807 /nfs/dbraw/zinc/32/98/07/426329807.db2.gz QEIIEVODAHKLJJ-FMKPAKJESA-N 2 0 314.433 2.597 20 0 DFADRP Cc1c(C[NH2+][C@H](C)c2ccc(OCC[NH+](C)C)cc2)cnn1C ZINC000090887925 426333103 /nfs/dbraw/zinc/33/31/03/426333103.db2.gz UIQDDAGOAOFHIP-CQSZACIVSA-N 2 0 316.449 2.520 20 0 DFADRP COc1ccc(OC)c(CCC[NH2+][C@@H]2C[C@H](C)[N@H+](C)C[C@H]2C)c1 ZINC000090888418 426333135 /nfs/dbraw/zinc/33/31/35/426333135.db2.gz SLGMYTWHEOTQEK-RVKKMQEKSA-N 2 0 320.477 2.955 20 0 DFADRP Cc1nccn1-c1ccc([C@@H](C)[NH2+]C[C@@H](O)C(F)(F)F)cc1 ZINC000151223592 426285503 /nfs/dbraw/zinc/28/55/03/426285503.db2.gz PQPMRHQZSSXPQC-QMTHXVAHSA-N 2 0 313.323 2.755 20 0 DFADRP CCC[C@H](NC[C@@H](O)C[NH+]1CCCCC1)c1ccc(OC)cc1 ZINC000151259150 426285797 /nfs/dbraw/zinc/28/57/97/426285797.db2.gz XZLYEHCOGBKVMC-MJGOQNOKSA-N 2 0 320.477 2.973 20 0 DFADRP C[C@H]1C[C@H]([NH2+]CC(C)(C)c2ccc3c(c2)OCCO3)CC[N@@H+]1C ZINC000122867525 426400368 /nfs/dbraw/zinc/40/03/68/426400368.db2.gz RMVNHBRUBZYWJN-GOEBONIOSA-N 2 0 318.461 2.808 20 0 DFADRP CC[NH+](CC)CC(=O)Nc1cccc(CC[NH+]2CCCC2)c1 ZINC000091824769 426345155 /nfs/dbraw/zinc/34/51/55/426345155.db2.gz QMKYVDBMNWRKKY-UHFFFAOYSA-N 2 0 303.450 2.605 20 0 DFADRP Cc1cccc2c1[C@H](C)C[C@H]2[NH2+]CCCN1CC[NH+](C)CC1 ZINC000152661988 426348932 /nfs/dbraw/zinc/34/89/32/426348932.db2.gz ZPHLOVYPGSAYLF-SJLPKXTDSA-N 2 0 301.478 2.770 20 0 DFADRP CCc1nn(C)c(CC)c1C[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000152695888 426349736 /nfs/dbraw/zinc/34/97/36/426349736.db2.gz SFFQZRRAGNLWBZ-UHFFFAOYSA-N 2 0 318.509 2.853 20 0 DFADRP C[C@@H](C(=O)NC(C)(C)C)[NH+]1CCC(CCC[NH+]2CCCC2)CC1 ZINC000121762162 426353718 /nfs/dbraw/zinc/35/37/18/426353718.db2.gz IRRMHYYPUDGSAN-INIZCTEOSA-N 2 0 323.525 2.878 20 0 DFADRP C[C@@H]([NH2+]CCCN1CC[NH+](C)CC1)c1cccc(C2CC2)c1 ZINC000340183936 268948748 /nfs/dbraw/zinc/94/87/48/268948748.db2.gz XOTZWNRNUUGLLD-MRXNPFEDSA-N 2 0 301.478 2.852 20 0 DFADRP C[C@H]1C[C@@H]([NH2+]Cc2cccc(C[NH+]3CCCC3)c2)CC[N@@H+]1C ZINC000122999988 426408049 /nfs/dbraw/zinc/40/80/49/426408049.db2.gz QQBZDICQHKOHSG-LPHOPBHVSA-N 2 0 301.478 2.855 20 0 DFADRP C[C@@H]1C[C@@H](NCc2cccnc2OC2CCCC2)CC[N@@H+]1C ZINC000153875426 426411021 /nfs/dbraw/zinc/41/10/21/426411021.db2.gz JZPFPHCXJLHNST-ZBFHGGJFSA-N 2 0 303.450 2.975 20 0 DFADRP C[C@H]1C[C@@H](NCc2cccnc2OC2CCCC2)CC[N@@H+]1C ZINC000153875530 426411904 /nfs/dbraw/zinc/41/19/04/426411904.db2.gz JZPFPHCXJLHNST-HOCLYGCPSA-N 2 0 303.450 2.975 20 0 DFADRP C[N@@H+]1CCCN(CCC[NH2+]C2CC(c3ccccc3F)C2)CC1 ZINC000123184254 426418655 /nfs/dbraw/zinc/41/86/55/426418655.db2.gz SYBZSKYUMSLOQQ-UHFFFAOYSA-N 2 0 319.468 2.689 20 0 DFADRP CN(C(=O)C[NH+]1CCC(CCC[NH+](C)C)CC1)c1ccccc1 ZINC000123263918 426423275 /nfs/dbraw/zinc/42/32/75/426423275.db2.gz VMEOCONDFLTKNG-UHFFFAOYSA-N 2 0 317.477 2.703 20 0 DFADRP CC(C)N(C(=O)C[NH+]1CCC(CCC[NH+](C)C)CC1)C(C)C ZINC000123318753 426426670 /nfs/dbraw/zinc/42/66/70/426426670.db2.gz ZOEBLKZKOAPJSU-UHFFFAOYSA-N 2 0 311.514 2.686 20 0 DFADRP C[NH+](C)CCNC(=O)c1ccc(C[NH2+]CC2CCCCC2)cc1 ZINC000123382632 426429753 /nfs/dbraw/zinc/42/97/53/426429753.db2.gz MJITWOMCILUSJB-UHFFFAOYSA-N 2 0 317.477 2.648 20 0 DFADRP C[C@@H]1C[C@H](C)CN(C(=O)C[NH+]2CCC(CCC[NH+](C)C)CC2)C1 ZINC000123387690 426430751 /nfs/dbraw/zinc/43/07/51/426430751.db2.gz FZSIHRRFVXUAHJ-CALCHBBNSA-N 2 0 323.525 2.545 20 0 DFADRP C[NH+](C)CCCC1CC[NH+](C[C@H](O)c2ccc(F)cc2)CC1 ZINC000123392087 426430811 /nfs/dbraw/zinc/43/08/11/426430811.db2.gz MCJRUHLSRHGYKP-SFHVURJKSA-N 2 0 308.441 2.913 20 0 DFADRP CC[NH+]1CCN(CCC[NH2+][C@H](C)c2ccc(OC)cc2F)CC1 ZINC000154230299 426431407 /nfs/dbraw/zinc/43/14/07/426431407.db2.gz KFWLETMBMYMGIN-OAHLLOKOSA-N 2 0 323.456 2.513 20 0 DFADRP CC[NH+]1CCN(CCC[NH2+][C@H]2CCSc3ccccc32)CC1 ZINC000154248942 426432452 /nfs/dbraw/zinc/43/24/52/426432452.db2.gz RSOPCZSJQILQME-KRWDZBQOSA-N 2 0 319.518 2.841 20 0 DFADRP COc1ccc(OCCC[N@H+](C)[C@@H]2CCN(C)[C@@H](C)C2)cc1 ZINC000123449575 426434372 /nfs/dbraw/zinc/43/43/72/426434372.db2.gz SEGFXEJLFKTXPH-JKSUJKDBSA-N 2 0 306.450 2.879 20 0 DFADRP CCC(CC)(C[NH3+])C(=O)N[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000154365283 426437928 /nfs/dbraw/zinc/43/79/28/426437928.db2.gz CXLJQNALCJANNR-KRWDZBQOSA-N 2 0 317.477 2.532 20 0 DFADRP C[C@@H]1C[C@@H]([NH2+]Cc2cc(N(C)C)nc3ccccc23)CC[N@@H+]1C ZINC000154446111 426440601 /nfs/dbraw/zinc/44/06/01/426440601.db2.gz ODDMOTGIXNMWFN-ZBFHGGJFSA-N 2 0 312.461 2.873 20 0 DFADRP CCN1CC[NH+](CCCC[NH2+][C@@H]2CCc3ccc(C)cc32)CC1 ZINC000154518603 426443808 /nfs/dbraw/zinc/44/38/08/426443808.db2.gz GHJPUMSQLXZPGR-HXUWFJFHSA-N 2 0 315.505 2.990 20 0 DFADRP COCC[N@H+](CCCOc1ccc(F)cc1)C[C@]1(C)CC[NH2+]C1 ZINC000340714176 269003289 /nfs/dbraw/zinc/00/32/89/269003289.db2.gz REOWMXHIRGZUTE-GOSISDBHSA-N 2 0 324.440 2.543 20 0 DFADRP Cc1cnc(CNc2cccc(OCCC[NH+](C)C)c2)n1C ZINC000341264158 269054784 /nfs/dbraw/zinc/05/47/84/269054784.db2.gz SUUIBRVDUMNYTL-UHFFFAOYSA-N 2 0 302.422 2.671 20 0 DFADRP Cn1cncc1CN(Cc1ccccc1)C[C@H](O)c1ccco1 ZINC000177161663 426448819 /nfs/dbraw/zinc/44/88/19/426448819.db2.gz CTOHSTPLDMSGRU-KRWDZBQOSA-N 2 0 311.385 2.749 20 0 DFADRP C[C@H](O)C[C@H](C)[NH2+][C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000341332203 269071015 /nfs/dbraw/zinc/07/10/15/269071015.db2.gz SOUXREDPZMDGRQ-WAARBJQMSA-N 2 0 302.462 2.646 20 0 DFADRP CC[N@@H+]1CC[C@@H](CNCc2cccc(OC)c2OC(F)F)C1 ZINC000124173386 426473025 /nfs/dbraw/zinc/47/30/25/426473025.db2.gz RDNDCSDOPUGSAI-LBPRGKRZSA-N 2 0 314.376 2.728 20 0 DFADRP C[C@@H](C(=O)NCc1ccc(C[NH+](C)C)cc1)[NH+]1[C@H](C)CC[C@H]1C ZINC000101629108 426485734 /nfs/dbraw/zinc/48/57/34/426485734.db2.gz YUEDSUYLLCLMNJ-OAGGEKHMSA-N 2 0 317.477 2.626 20 0 DFADRP CCCC[N@H+](C)CC1CC[NH+]([C@@H]2CCCN(C(C)C)C2=O)CC1 ZINC000177721755 426510540 /nfs/dbraw/zinc/51/05/40/426510540.db2.gz ORZSMPVHWMJXRV-GOSISDBHSA-N 2 0 323.525 2.830 20 0 DFADRP C[C@H]([NH2+]CCCn1ccnc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272377007 426511813 /nfs/dbraw/zinc/51/18/13/426511813.db2.gz BLYZKIICOGYAQU-HKUYNNGSSA-N 2 0 312.461 2.773 20 0 DFADRP C[NH+]1CCC(C)(C[NH2+]C2CCN(Cc3ccccc3)CC2)CC1 ZINC000272420100 426520792 /nfs/dbraw/zinc/52/07/92/426520792.db2.gz DCXRYQXXHIKGOY-UHFFFAOYSA-N 2 0 315.505 2.973 20 0 DFADRP C[N@@H+]1CCC[C@@H]2CN(Cc3cccc(Br)n3)CC[C@H]21 ZINC000272444613 426524782 /nfs/dbraw/zinc/52/47/82/426524782.db2.gz UOSSYBLVFJTFJW-TZMCWYRMSA-N 2 0 324.266 2.760 20 0 DFADRP C[N@@H+]1CCC[C@H]2CN(Cc3cccc(Br)n3)CC[C@H]21 ZINC000272444607 426525106 /nfs/dbraw/zinc/52/51/06/426525106.db2.gz UOSSYBLVFJTFJW-GXTWGEPZSA-N 2 0 324.266 2.760 20 0 DFADRP CCOc1ccc([C@@H](C)[NH2+][C@H](C)CCN2CC[NH+](C)CC2)cc1 ZINC000186574379 426554758 /nfs/dbraw/zinc/55/47/58/426554758.db2.gz DFWRJLJWUBVQRQ-IAGOWNOFSA-N 2 0 319.493 2.762 20 0 DFADRP C[C@H](NCC[NH+]1CCCC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272457481 426529626 /nfs/dbraw/zinc/52/96/26/426529626.db2.gz KARUTJLZOPQVBJ-HKUYNNGSSA-N 2 0 301.478 2.582 20 0 DFADRP C[C@@H](NCC[NH+]1CCCC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272457486 426530133 /nfs/dbraw/zinc/53/01/33/426530133.db2.gz KARUTJLZOPQVBJ-MJGOQNOKSA-N 2 0 301.478 2.582 20 0 DFADRP C[C@@H]([NH2+]CC1CC[NH+](CCO)CC1)c1ccc2ccccc2n1 ZINC000177880833 426535523 /nfs/dbraw/zinc/53/55/23/426535523.db2.gz XRLCNBDWHYXDIR-OAHLLOKOSA-N 2 0 313.445 2.590 20 0 DFADRP CCC[C@@H]([NH3+])C(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC000272513571 426544417 /nfs/dbraw/zinc/54/44/17/426544417.db2.gz XYKNTPKYRKEUGY-QGZVFWFLSA-N 2 0 303.450 2.781 20 0 DFADRP CC(C)[C@H](C[NH+]1CCC([N@H+](C)CCO)CC1)c1ccccc1 ZINC000280303877 426546025 /nfs/dbraw/zinc/54/60/25/426546025.db2.gz PTCXTCYGXMUXLI-IBGZPJMESA-N 2 0 304.478 2.815 20 0 DFADRP CCO[C@H]1C[C@@H]([NH2+]CCC[NH+]2CCC(C)CC2)C12CCOCC2 ZINC000186214513 426494013 /nfs/dbraw/zinc/49/40/13/426494013.db2.gz ZLGWKTCMXSJZTN-MSOLQXFVSA-N 2 0 324.509 2.672 20 0 DFADRP CC(C)c1nc([C@H](C)[NH2+]CCCN2CC[NH+](C)CC2)cs1 ZINC000186215313 426494647 /nfs/dbraw/zinc/49/46/47/426494647.db2.gz YCIQFYBHSMPLHX-AWEZNQCLSA-N 2 0 310.511 2.555 20 0 DFADRP C[C@@H](CCC1CC1)[NH2+]Cc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000186232668 426495700 /nfs/dbraw/zinc/49/57/00/426495700.db2.gz XHCFPQXCCZRVFG-HNNXBMFYSA-N 2 0 302.466 2.502 20 0 DFADRP COC[C@H]([NH2+][C@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1)C1CC1 ZINC000272364368 426506050 /nfs/dbraw/zinc/50/60/50/426506050.db2.gz SPBSZPJDGWXSGD-MNEFBYGVSA-N 2 0 302.462 2.912 20 0 DFADRP Cc1ccncc1CCC[N@@H+]1CCNC(=O)C[C@H]1c1ccccc1 ZINC000289150593 426592389 /nfs/dbraw/zinc/59/23/89/426592389.db2.gz QENQXUTVNJUWBA-IBGZPJMESA-N 2 0 323.440 2.886 20 0 DFADRP CCC(C)(C)[NH2+][C@@H](C)C(=O)NC[C@@H](c1ccc(F)cc1)[NH+](C)C ZINC000273222499 426621399 /nfs/dbraw/zinc/62/13/99/426621399.db2.gz PLEPGCIDEHYFFK-BBRMVZONSA-N 2 0 323.456 2.711 20 0 DFADRP Cc1n[nH]cc1C[NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]12 ZINC000273120706 426595915 /nfs/dbraw/zinc/59/59/15/426595915.db2.gz ZHLOSVDMEGDLCU-NZSAHSFTSA-N 2 0 310.445 2.718 20 0 DFADRP CCc1ccc([C@H](C)[NH2+][C@H](C)CCN2CC[NH+](C)CC2)cc1 ZINC000186576373 426555680 /nfs/dbraw/zinc/55/56/80/426555680.db2.gz OCICDNREGUOUTP-SJORKVTESA-N 2 0 303.494 2.926 20 0 DFADRP CC(C)c1nc([C@H](C)[NH2+][C@H](C)CCN2CC[NH+](C)CC2)cs1 ZINC000186583145 426556289 /nfs/dbraw/zinc/55/62/89/426556289.db2.gz LUCDOTSUPAFRKY-CABCVRRESA-N 2 0 324.538 2.943 20 0 DFADRP CCC[N@H+](CC)Cc1ccc(C(=O)N2C[C@@H](C)[NH2+]C[C@H]2C)cc1 ZINC000272560685 426558181 /nfs/dbraw/zinc/55/81/81/426558181.db2.gz NRAGFUQEPSASNH-HZPDHXFCSA-N 2 0 317.477 2.741 20 0 DFADRP CCc1nc(C)c([C@H](C)[NH2+][C@H](C)CCN2CC[NH+](C)CC2)s1 ZINC000186603205 426561340 /nfs/dbraw/zinc/56/13/40/426561340.db2.gz JTLUZNSDVKZXPB-KGLIPLIRSA-N 2 0 324.538 2.691 20 0 DFADRP CC(C)[C@@H](CO)[NH2+][C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000272574356 426563004 /nfs/dbraw/zinc/56/30/04/426563004.db2.gz PNAPAPPLOAJKHT-WJFTUGDTSA-N 2 0 302.462 2.504 20 0 DFADRP CN(CCC[N@H+](C)Cc1cccc2cccnc21)CC[NH+](C)C ZINC000289370341 426637673 /nfs/dbraw/zinc/63/76/73/426637673.db2.gz IERMPNUIWASACB-UHFFFAOYSA-N 2 0 314.477 2.550 20 0 DFADRP C[N@@H+]1CCCC[C@@H]1CCN[C@@H](C[S@](C)=O)c1ccccc1 ZINC000273308532 426639815 /nfs/dbraw/zinc/63/98/15/426639815.db2.gz NBBVXALJVHODKM-WWMYMODYSA-N 2 0 308.491 2.570 20 0 DFADRP C[N@H+](CCC(=O)Nc1cccc(Cl)c1)[C@H]1CCC[NH2+]CC1 ZINC000231669683 426651936 /nfs/dbraw/zinc/65/19/36/426651936.db2.gz SKVDCKFUWHAQJI-HNNXBMFYSA-N 2 0 309.841 2.743 20 0 DFADRP C[C@@H]([NH2+]CC1(O)CC[NH+](C)CC1)[C@H](C)c1ccc(Cl)cc1 ZINC000280784968 426655046 /nfs/dbraw/zinc/65/50/46/426655046.db2.gz FZSBITXEQFNGGH-UONOGXRCSA-N 2 0 310.869 2.878 20 0 DFADRP CC(C)[C@H](C[NH2+][C@@H](C)CN1CC[NH+](C)CC1)c1ccccc1 ZINC000280793901 426657154 /nfs/dbraw/zinc/65/71/54/426657154.db2.gz GSLQSKXBEGJLOJ-HKUYNNGSSA-N 2 0 303.494 2.652 20 0 DFADRP CCC[N@H+](CC1CC[NH2+]CC1)[C@@H](C)C(=O)Nc1ccccc1 ZINC000236972158 426687040 /nfs/dbraw/zinc/68/70/40/426687040.db2.gz YTNNSRQBRUIESK-HNNXBMFYSA-N 2 0 303.450 2.725 20 0 DFADRP CC1CC[NH+](Cc2ccc(NC(=O)[C@H]3CCCC[NH2+]3)cc2)CC1 ZINC000236637288 426668757 /nfs/dbraw/zinc/66/87/57/426668757.db2.gz WBBLBAHYLLNWPD-GOSISDBHSA-N 2 0 315.461 2.999 20 0 DFADRP CC(C)[N@H+](C)Cc1ccccc1CNC(=O)[C@]1(C)CCCC[NH2+]1 ZINC000236656486 426670539 /nfs/dbraw/zinc/67/05/39/426670539.db2.gz SFNMAILSCRFBLP-IBGZPJMESA-N 2 0 317.477 2.675 20 0 DFADRP CCC(CC)(C[NH3+])C(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000236655490 426670548 /nfs/dbraw/zinc/67/05/48/426670548.db2.gz WPUVIQQYPBDJOD-UHFFFAOYSA-N 2 0 309.498 2.665 20 0 DFADRP OC[C@@H]1CCC[N@@H+]1CCCC[NH2+][C@@H](c1cccnc1)C1CCC1 ZINC000280862902 426672490 /nfs/dbraw/zinc/67/24/90/426672490.db2.gz NITXJDZBOBKAID-RBUKOAKNSA-N 2 0 317.477 2.749 20 0 DFADRP CC(C)([NH3+])CC(=O)N1CCCN(Cc2ccc(Cl)cc2)CC1 ZINC000178674616 426672739 /nfs/dbraw/zinc/67/27/39/426672739.db2.gz MCMZRUITAXNAEI-UHFFFAOYSA-N 2 0 323.868 2.502 20 0 DFADRP C[C@H](CC(=O)NCCCC[NH+]1CCC(C)CC1)C1CC[NH2+]CC1 ZINC000236696395 426677185 /nfs/dbraw/zinc/67/71/85/426677185.db2.gz RVLMNBWYUYTLBO-QGZVFWFLSA-N 2 0 323.525 2.641 20 0 DFADRP C[C@H]1CCC[N@H+](Cc2ccc(CNC(=O)CC(C)(C)[NH3+])cc2)C1 ZINC000178690635 426677674 /nfs/dbraw/zinc/67/76/74/426677674.db2.gz WZSPPQNYUHZDLO-HNNXBMFYSA-N 2 0 317.477 2.662 20 0 DFADRP C[C@H](C[NH2+]C[C@@H](O)C[NH+]1CCC(C)CC1)c1ccc(F)cc1 ZINC000236710121 426679009 /nfs/dbraw/zinc/67/90/09/426679009.db2.gz MTCPDAVQBAPUGD-CRAIPNDOSA-N 2 0 308.441 2.612 20 0 DFADRP CC(C)[C@H]([NH3+])C(=O)N1CCN([C@H](C)c2ccc(Cl)cc2)CC1 ZINC000236728782 426680936 /nfs/dbraw/zinc/68/09/36/426680936.db2.gz SJIDRTYWPDTBTN-CJNGLKHVSA-N 2 0 323.868 2.529 20 0 DFADRP CC(C)[C@H]([NH3+])C(=O)NCc1ccccc1C[NH+]1CCC(C)CC1 ZINC000236763697 426684682 /nfs/dbraw/zinc/68/46/82/426684682.db2.gz NGKLPILYDIXDPO-SFHVURJKSA-N 2 0 317.477 2.518 20 0 DFADRP CCCN(C(=O)CCC[NH3+])[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000236755683 426685500 /nfs/dbraw/zinc/68/55/00/426685500.db2.gz JQOHURIYJSZMCQ-SFHVURJKSA-N 2 0 317.477 2.629 20 0 DFADRP C[NH+](C)CCc1ccc(NC(=O)[C@@H](C2CC2)[NH+]2CCCC2)cc1 ZINC000273563998 426685663 /nfs/dbraw/zinc/68/56/63/426685663.db2.gz DUHXLIFRUWHELM-GOSISDBHSA-N 2 0 315.461 2.604 20 0 DFADRP C[C@@H](CC(=O)Nc1cccnc1Cl)[NH2+]CCC[NH+]1CCCC1 ZINC000178411667 426623452 /nfs/dbraw/zinc/62/34/52/426623452.db2.gz HGBIYEWCYHBBFO-ZDUSSCGKSA-N 2 0 324.856 2.528 20 0 DFADRP Fc1ccc(CCN2CCC([NH2+]C[C@@H]3CCCOC3)CC2)cc1 ZINC000178426953 426626447 /nfs/dbraw/zinc/62/64/47/426626447.db2.gz XOBUGFHVNZGFRU-KRWDZBQOSA-N 2 0 320.452 2.849 20 0 DFADRP C[NH+]1CCC(O)(C[NH2+]Cc2c(Cl)cccc2Cl)CC1 ZINC000265894658 426707452 /nfs/dbraw/zinc/70/74/52/426707452.db2.gz SGOPNSCMRXMYBR-UHFFFAOYSA-N 2 0 303.233 2.540 20 0 DFADRP C[C@H]1C[C@H]([NH2+]CCN2CCc3c(Cl)cccc3C2)CC[N@@H+]1C ZINC000187998146 426714205 /nfs/dbraw/zinc/71/42/05/426714205.db2.gz ZQFOZLNKWLNPTI-GOEBONIOSA-N 2 0 321.896 2.770 20 0 DFADRP [NH3+]C[C@H](C(=O)NCCCCC[NH+]1CCCCC1)c1ccccc1 ZINC000178791982 426695717 /nfs/dbraw/zinc/69/57/17/426695717.db2.gz GUCVOQCCURVMKV-SFHVURJKSA-N 2 0 317.477 2.501 20 0 DFADRP O=C(CCC1CC[NH2+]CC1)NCCCCC[NH+]1CCCCC1 ZINC000237953721 426697994 /nfs/dbraw/zinc/69/79/94/426697994.db2.gz AWGGLUCUNUIOGD-UHFFFAOYSA-N 2 0 309.498 2.539 20 0 DFADRP C[C@@H](C[NH2+]C[C@@H](C)c1cccc(Cl)c1)CN1CC[NH+](C)CC1 ZINC000187856542 426700351 /nfs/dbraw/zinc/70/03/51/426700351.db2.gz OIVDMUWGAKHSPU-JKSUJKDBSA-N 2 0 323.912 2.917 20 0 DFADRP Cc1ccc(C[NH+](C)C)cc1NC(=O)[C@@H]1CC[NH2+][C@H]1C(C)C ZINC000290134154 426701467 /nfs/dbraw/zinc/70/14/67/426701467.db2.gz MAMFKOSCDSVLNW-WBVHZDCISA-N 2 0 303.450 2.629 20 0 DFADRP C[C@H](C[N@H+](C)Cc1ccccc1)N[C@@H]1CC[NH+]2CCC[C@@H]2C1 ZINC000290444154 426767311 /nfs/dbraw/zinc/76/73/11/426767311.db2.gz VRAKIBNEROBLGI-BHIYHBOVSA-N 2 0 301.478 2.723 20 0 DFADRP CC(C)[C@@H](O)C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000245735930 426767616 /nfs/dbraw/zinc/76/76/16/426767616.db2.gz QUJGJYCYXJYEOA-RDGPPVDQSA-N 2 0 302.462 2.789 20 0 DFADRP CC(C)[NH+]1CCC([NH2+]C[C@]2(O)CCC[C@H](C(F)(F)F)C2)CC1 ZINC000188625119 426769877 /nfs/dbraw/zinc/76/98/77/426769877.db2.gz TWRBQTHKSFCKMX-ZFWWWQNUSA-N 2 0 322.415 2.932 20 0 DFADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@]2(O)CCC[C@H](C(F)(F)F)C2)[C@H](C)C1 ZINC000188629268 426770034 /nfs/dbraw/zinc/77/00/34/426770034.db2.gz CUHUBMIIIGKSTI-QPSCCSFWSA-N 2 0 322.415 2.790 20 0 DFADRP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccc(NC(C)=O)cc2)[C@@H](C)C1 ZINC000245796709 426772478 /nfs/dbraw/zinc/77/24/78/426772478.db2.gz XBWVTBGBQMJKTP-KBXCAEBGSA-N 2 0 303.450 2.807 20 0 DFADRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@H](c1cncc(F)c1)C1CC1 ZINC000281817809 426773316 /nfs/dbraw/zinc/77/33/16/426773316.db2.gz ZKFSVHSXBFUUBW-SJORKVTESA-N 2 0 309.429 2.618 20 0 DFADRP C[C@@H]1CCC[N@H+](CCCC[NH2+][C@H](c2nccn2C)C2CC2)C1 ZINC000245902853 426780213 /nfs/dbraw/zinc/78/02/13/426780213.db2.gz SNLWFDNAXCSGLF-WBVHZDCISA-N 2 0 304.482 2.973 20 0 DFADRP CC[NH+](CC)[C@@H](C(=O)N1CCC[C@@H](CC[NH3+])C1)c1ccccc1 ZINC000281883476 426783554 /nfs/dbraw/zinc/78/35/54/426783554.db2.gz GKRRRZCCPBBPTG-FUHWJXTLSA-N 2 0 317.477 2.657 20 0 DFADRP C[C@@H](C(=O)N1CCCC[C@@H]([NH+]2CCCC2)C1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000245945986 426783998 /nfs/dbraw/zinc/78/39/98/426783998.db2.gz WQOLYSDJUSMTCE-XWTMOSNGSA-N 2 0 321.509 2.725 20 0 DFADRP CC1(C)C[N@H+](CC2CC[NH2+]CC2)CCN1Cc1ccccc1 ZINC000178980414 426729522 /nfs/dbraw/zinc/72/95/22/426729522.db2.gz PWZUDGSWXLIOKC-UHFFFAOYSA-N 2 0 301.478 2.582 20 0 DFADRP Clc1ccc(CN2CCC[N@H+](CC3CC[NH2+]CC3)CC2)cc1 ZINC000178978370 426730409 /nfs/dbraw/zinc/73/04/09/426730409.db2.gz SBHULJNQSUPCLR-UHFFFAOYSA-N 2 0 321.896 2.847 20 0 DFADRP Cn1cc(C[N@H+](C)CCCn2ccnc2)c(-c2ccccc2)n1 ZINC000290288728 426733063 /nfs/dbraw/zinc/73/30/63/426733063.db2.gz ACNLDCXHRCOCAB-UHFFFAOYSA-N 2 0 309.417 2.806 20 0 DFADRP Cc1ccncc1CCC[N@H+]1CC[C@H](C2CC[NH+](C)CC2)C1 ZINC000290363447 426749082 /nfs/dbraw/zinc/74/90/82/426749082.db2.gz GYQPBJLKAFRLQI-IBGZPJMESA-N 2 0 301.478 2.986 20 0 DFADRP CC[C@@H]([NH2+]Cc1ccc(N2CC[NH+](C)CC2)nc1)C(C)(C)C ZINC000274359521 426752915 /nfs/dbraw/zinc/75/29/15/426752915.db2.gz KOWRKSYUXUJABM-MRXNPFEDSA-N 2 0 304.482 2.748 20 0 DFADRP Cn1nccc1C[NH2+][C@H]1c2ccccc2CC[C@@H]1n1ccnc1 ZINC000290416203 426760163 /nfs/dbraw/zinc/76/01/63/426760163.db2.gz KIVSTDZDVOTCCF-ROUUACIJSA-N 2 0 307.401 2.635 20 0 DFADRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+]Cc1cccc(Cl)c1F ZINC000274415725 426763493 /nfs/dbraw/zinc/76/34/93/426763493.db2.gz FUJZARSKQUFCFK-CYBMUJFWSA-N 2 0 313.848 2.595 20 0 DFADRP C[C@H](C[N@H+](C)Cc1ccccc1)N[C@H]1CC[NH+]2CCC[C@H]2C1 ZINC000290444159 426766074 /nfs/dbraw/zinc/76/60/74/426766074.db2.gz VRAKIBNEROBLGI-NEWSRXKRSA-N 2 0 301.478 2.723 20 0 DFADRP C[C@@H]1C[N@H+](C)CC[C@H]1N(C)Cc1csc(-c2ccccn2)n1 ZINC000290589018 426799727 /nfs/dbraw/zinc/79/97/27/426799727.db2.gz VDIMJXDEZYOAHR-CZUORRHYSA-N 2 0 316.474 2.977 20 0 DFADRP C[C@H]1CCC[N@H+](CCCCNC(=O)CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000246209623 426810967 /nfs/dbraw/zinc/81/09/67/426810967.db2.gz FRQJXOIYSGICGX-OOKSDGMUSA-N 2 0 321.509 2.535 20 0 DFADRP C[NH+]1CCC([C@H]2CC[N@H+](Cc3ccc4c(c3)OCCO4)C2)CC1 ZINC000290658102 426813835 /nfs/dbraw/zinc/81/38/35/426813835.db2.gz ZLWRQWXAJOGLHL-KRWDZBQOSA-N 2 0 316.445 2.622 20 0 DFADRP C[C@H]1C[C@@H](c2ccccc2)C[C@@H]([NH2+]C[C@@](C)(O)C[NH+](C)C)C1 ZINC000246420146 426832246 /nfs/dbraw/zinc/83/22/46/426832246.db2.gz NCKSTPOKQKFMFH-WZGPROSRSA-N 2 0 304.478 2.861 20 0 DFADRP Cc1ccc([C@@H]([NH2+]C[C@H](O)C[NH+]2CCCCC2)C2CC2)cc1 ZINC000180044426 426834475 /nfs/dbraw/zinc/83/44/75/426834475.db2.gz OXDISAYTFKVJJR-RBUKOAKNSA-N 2 0 302.462 2.883 20 0 DFADRP CC(C)C[C@H](CO)[NH2+][C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000180159061 426840474 /nfs/dbraw/zinc/84/04/74/426840474.db2.gz BRGYAFVFNIOCQH-ZGXWSNOMSA-N 2 0 316.489 2.894 20 0 DFADRP C[C@H]1CCCC[N@@H+]1Cc1ccc(NC(=O)[C@H]2CCC[NH2+]C2)cc1 ZINC000246542540 426843080 /nfs/dbraw/zinc/84/30/80/426843080.db2.gz SMPOSSKKDUSWPX-RDJZCZTQSA-N 2 0 315.461 2.999 20 0 DFADRP C[C@H]1CCC[N@H+](Cc2ccc(NC(=O)C[C@H]3CCC[NH2+]3)cc2)C1 ZINC000246567536 426845436 /nfs/dbraw/zinc/84/54/36/426845436.db2.gz USUFEUTZHIQDNX-MAUKXSAKSA-N 2 0 315.461 2.999 20 0 DFADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCC1OCCCO1 ZINC000274836980 426846795 /nfs/dbraw/zinc/84/67/95/426846795.db2.gz NNOPFTOAAJCQEX-AEFFLSMTSA-N 2 0 318.461 2.640 20 0 DFADRP Cc1cc([C@@H](C)NCCC[N@@H+]2CCc3ccccc3C2)nn1C ZINC000282210288 426854533 /nfs/dbraw/zinc/85/45/33/426854533.db2.gz OKGMTBZGNXAEHV-MRXNPFEDSA-N 2 0 312.461 2.828 20 0 DFADRP O[C@H](C[NH+]1CCC[C@@H]2CCC[C@H]21)C[N@@H+]1CCC[C@@H]2CCC[C@@H]21 ZINC000246016548 426790732 /nfs/dbraw/zinc/79/07/32/426790732.db2.gz UKVPWJUNWRTQRK-VPAKFMSCSA-N 2 0 306.494 2.876 20 0 DFADRP [NH3+]C[C@@H]1CCC[C@@H]1NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000309639295 426915496 /nfs/dbraw/zinc/91/54/96/426915496.db2.gz BBTSYJRKCFKUAA-FHWLQOOXSA-N 2 0 301.478 2.616 20 0 DFADRP C[N@H+](CCO)C1CC[NH+]([C@H]2CC[C@](C)(c3ccccc3)C2)CC1 ZINC000275785442 426917011 /nfs/dbraw/zinc/91/70/11/426917011.db2.gz YCJHPMHHBWABET-PMACEKPBSA-N 2 0 316.489 2.885 20 0 DFADRP C[C@H](C(=O)Nc1ccc(CC[NH+](C)C)cc1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000275786283 426917396 /nfs/dbraw/zinc/91/73/96/426917396.db2.gz IMRSDZMNPPACIW-OWCLPIDISA-N 2 0 317.477 2.991 20 0 DFADRP C[C@H](c1ccccc1)[C@H](C)[NH2+]CCN1CC[N@H+](C)C(C)(C)C1 ZINC000282237964 426859864 /nfs/dbraw/zinc/85/98/64/426859864.db2.gz IYBCASZMQNVFGD-IRXDYDNUSA-N 2 0 303.494 2.794 20 0 DFADRP C[C@]1(c2ccccc2)CC[C@@H]([NH2+][C@H]2CCCN(CCCO)C2)C1 ZINC000295205901 426861672 /nfs/dbraw/zinc/86/16/72/426861672.db2.gz ZHRWFDOEFRUYLP-AABGKKOBSA-N 2 0 316.489 2.933 20 0 DFADRP C[C@H]([NH2+]CCCC[NH+](C)C)c1ncc(Br)cc1F ZINC000275283282 426866493 /nfs/dbraw/zinc/86/64/93/426866493.db2.gz FGLRCRUTYFRXEL-JTQLQIEISA-N 2 0 318.234 2.976 20 0 DFADRP C[C@@H]([NH2+]CCN1CC[N@H+](C)C(C)(C)C1)c1ccc(F)c(F)c1 ZINC000282286895 426872161 /nfs/dbraw/zinc/87/21/61/426872161.db2.gz LJOTYLUDPCROFQ-CYBMUJFWSA-N 2 0 311.420 2.641 20 0 DFADRP CC[C@H](C)[N@H+](C)CCNC(=O)Nc1ccccc1CC[NH+](C)C ZINC000275570362 426872669 /nfs/dbraw/zinc/87/26/69/426872669.db2.gz CLDCAFMTWYRPRH-HNNXBMFYSA-N 2 0 320.481 2.643 20 0 DFADRP CC(C)OC1CC([NH2+]Cc2ccccc2OCC[NH+](C)C)C1 ZINC000189527295 426878096 /nfs/dbraw/zinc/87/80/96/426878096.db2.gz CGIXDHHIFUVCME-UHFFFAOYSA-N 2 0 306.450 2.673 20 0 DFADRP COCC[C@@H]1CCC[C@@H]1[NH2+]Cc1cccc(OCC[NH+](C)C)c1 ZINC000282341520 426886924 /nfs/dbraw/zinc/88/69/24/426886924.db2.gz VHYQCHJVFCOOCS-HKUYNNGSSA-N 2 0 320.477 2.922 20 0 DFADRP COCC[C@@H]1CCC[C@H]1[NH2+]Cc1cccc(OCC[NH+](C)C)c1 ZINC000282341552 426887404 /nfs/dbraw/zinc/88/74/04/426887404.db2.gz VHYQCHJVFCOOCS-PKOBYXMFSA-N 2 0 320.477 2.922 20 0 DFADRP Oc1cccc(C[NH+]2CCC(CCC[NH+]3CCOCC3)CC2)c1 ZINC000180797220 426888912 /nfs/dbraw/zinc/88/89/12/426888912.db2.gz QGNODFVRKOQJJI-UHFFFAOYSA-N 2 0 318.461 2.717 20 0 DFADRP CC[N@@H+]1CC[C@H]([NH2+]CCN2c3ccccc3C[C@@H]2C)[C@@H](C)C1 ZINC000246992888 426889277 /nfs/dbraw/zinc/88/92/77/426889277.db2.gz KWGNQSMKHMVUNA-BQFCYCMXSA-N 2 0 301.478 2.758 20 0 DFADRP C[C@@](O)(C[NH2+]C1CC[NH+](C2CCCC2)CC1)c1cccs1 ZINC000305168436 426891292 /nfs/dbraw/zinc/89/12/92/426891292.db2.gz ZCGFBWCRXRPVAI-QGZVFWFLSA-N 2 0 308.491 2.952 20 0 DFADRP C[C@@H](O)[C@H]1CC[N@H+](CC(C)(C)C[NH+](C)Cc2ccccc2)C1 ZINC000180860574 426893262 /nfs/dbraw/zinc/89/32/62/426893262.db2.gz SNDOTZHFKIXGND-AEFFLSMTSA-N 2 0 304.478 2.847 20 0 DFADRP CC[C@H]([NH2+][C@@H](C)CCN1CC[NH+](C)CC1)c1cccc(F)c1 ZINC000275673700 426893260 /nfs/dbraw/zinc/89/32/60/426893260.db2.gz HNAXWMRUEWOBGD-YJBOKZPZSA-N 2 0 307.457 2.892 20 0 DFADRP c1cnn(CC[N@@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)c1 ZINC000291509651 426900154 /nfs/dbraw/zinc/90/01/54/426900154.db2.gz XBEIHCRHPIEKMP-UHFFFAOYSA-N 2 0 324.472 2.871 20 0 DFADRP CC[NH+]1CCC(CCNC(=O)c2sccc2C[NH+](C)C)CC1 ZINC000268057378 426903376 /nfs/dbraw/zinc/90/33/76/426903376.db2.gz YTUZGTFWALTXEQ-UHFFFAOYSA-N 2 0 323.506 2.662 20 0 DFADRP CCC[N@H+](CC)Cc1ccc(C(=O)N[C@@H](C)CCC[NH3+])cc1 ZINC000295316653 426906112 /nfs/dbraw/zinc/90/61/12/426906112.db2.gz WLKPNIAHBPQKHK-HNNXBMFYSA-N 2 0 305.466 2.776 20 0 DFADRP CCC(C)(C)[NH2+][C@@H](C)C(=O)Nc1ccccc1CC[NH+](C)C ZINC000275761714 426911055 /nfs/dbraw/zinc/91/10/55/426911055.db2.gz CNMLYBFDJIYQAA-AWEZNQCLSA-N 2 0 305.466 2.896 20 0 DFADRP CC[C@H]1CCCC[C@@H]1[NH2+]Cc1ccnc(N2CC[NH+](C)CC2)c1 ZINC000181741043 426975371 /nfs/dbraw/zinc/97/53/71/426975371.db2.gz CJZXRZXZWUBGBG-ROUUACIJSA-N 2 0 316.493 2.892 20 0 DFADRP CCN(CCC[NH+](C)C)C(=O)Nc1ccccc1CC[NH+](C)C ZINC000276123674 426989755 /nfs/dbraw/zinc/98/97/55/426989755.db2.gz BSPYBKZQXCSVMM-UHFFFAOYSA-N 2 0 320.481 2.596 20 0 DFADRP CC(C)C[C@@H](CNC(=O)c1sccc1C[NH+](C)C)[NH+](C)C ZINC000268164949 426932924 /nfs/dbraw/zinc/93/29/24/426932924.db2.gz UIHNSKRDURDNKE-AWEZNQCLSA-N 2 0 311.495 2.516 20 0 DFADRP CC[NH+]1CCN(C[C@H](C)C[NH2+]C[C@H]2C(C)=CCC[C@@H]2C)CC1 ZINC000248428238 426998887 /nfs/dbraw/zinc/99/88/87/426998887.db2.gz RCILTENSLFGVAB-NEWSRXKRSA-N 2 0 307.526 2.842 20 0 DFADRP C[C@@H]1CC[NH+](CC2(C[N@H+]3CC[C@H](C)[C@@H](C)C3)COC2)C[C@@H]1C ZINC000248420088 426999531 /nfs/dbraw/zinc/99/95/31/426999531.db2.gz LMOSDEHIBGPUCS-MHORFTMASA-N 2 0 308.510 2.959 20 0 DFADRP C[C@H]([NH2+]C[C@@H](O)Cc1ccccc1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000248592994 427019434 /nfs/dbraw/zinc/01/94/34/427019434.db2.gz RULDFLQLFMDPOL-HQRMLTQVSA-N 2 0 316.489 2.833 20 0 DFADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]C2CC(OC(C)C)C2)[C@@H](C)C1 ZINC000248638964 427024287 /nfs/dbraw/zinc/02/42/87/427024287.db2.gz MPGJFCQUEKITHQ-BFWZDYSYSA-N 2 0 312.498 2.669 20 0 DFADRP CCC[NH2+][C@H](C)C(=O)Nc1ccc(CC[NH+]2CCCC2)cc1 ZINC000295963365 427030096 /nfs/dbraw/zinc/03/00/96/427030096.db2.gz IAILBARHDPCXKH-OAHLLOKOSA-N 2 0 303.450 2.652 20 0 DFADRP Cc1c([C@H](C)[NH2+]CCCC[N@@H+]2CCC[C@H]2CO)cnn1C(C)C ZINC000248716573 427033629 /nfs/dbraw/zinc/03/36/29/427033629.db2.gz ROIPKKOGENQMRK-RDJZCZTQSA-N 2 0 322.497 2.660 20 0 DFADRP Cc1c([C@@H](C)[NH2+]CCCC[N@@H+]2CCC[C@H]2CO)cnn1C(C)C ZINC000248716578 427034867 /nfs/dbraw/zinc/03/48/67/427034867.db2.gz ROIPKKOGENQMRK-WBVHZDCISA-N 2 0 322.497 2.660 20 0 DFADRP C[C@H]([NH2+]Cc1ccccc1C[N@@H+]1CCC[C@@H]1CO)C1(C)CC1 ZINC000182239211 427035101 /nfs/dbraw/zinc/03/51/01/427035101.db2.gz TUMPCOGKVYRKCF-MAUKXSAKSA-N 2 0 302.462 2.922 20 0 DFADRP CCC[N@H+](CC)C[C@@H](C)NC(=O)c1sccc1C[NH+](C)C ZINC000291963622 427041550 /nfs/dbraw/zinc/04/15/50/427041550.db2.gz GYCBFNCXWAPZJY-CYBMUJFWSA-N 2 0 311.495 2.660 20 0 DFADRP O[C@@H]1CC[N@H+](Cc2ccccc2C[NH2+]C(C2CC2)C2CC2)C1 ZINC000182269650 427044579 /nfs/dbraw/zinc/04/45/79/427044579.db2.gz FOVDXDFSMGYFQB-GOSISDBHSA-N 2 0 300.446 2.531 20 0 DFADRP Cc1ncsc1C[N@H+]1CC[C@H](Oc2cccnc2N(C)C)C1 ZINC000296013882 427045580 /nfs/dbraw/zinc/04/55/80/427045580.db2.gz QRTYCJHRGOAJKG-ZDUSSCGKSA-N 2 0 318.446 2.566 20 0 DFADRP C[C@H]([NH3+])[C@H](C)C(=O)NC[C@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC000248996043 427072990 /nfs/dbraw/zinc/07/29/90/427072990.db2.gz HVIGMXSQVWWJDP-HEHGZKQESA-N 2 0 323.868 2.576 20 0 DFADRP CCN(CCC[NH+](CC)CC)C(=O)c1ccc(C[NH+](C)C)cc1 ZINC000276471300 427076109 /nfs/dbraw/zinc/07/61/09/427076109.db2.gz PGCSTTQTWHFYHT-UHFFFAOYSA-N 2 0 319.493 2.942 20 0 DFADRP CCN1CC[NH+](CCCC[NH2+][C@@H]2CCC[C@@H]2CCCF)CC1 ZINC000337989181 427076920 /nfs/dbraw/zinc/07/69/20/427076920.db2.gz LGQCLGGZLPKILB-QZTJIDSGSA-N 2 0 313.505 2.912 20 0 DFADRP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@@H]2CCC[C@@H]2CCCF)CC1 ZINC000337990087 427077971 /nfs/dbraw/zinc/07/79/71/427077971.db2.gz SLYSGEKNHITHIU-KZNAEPCWSA-N 2 0 313.505 2.768 20 0 DFADRP C[C@H](CNC(=O)C[C@H]1CCCC[C@H]1[NH3+])[N@H+](C)Cc1ccccc1 ZINC000296108958 427078197 /nfs/dbraw/zinc/07/81/97/427078197.db2.gz SGCAPMGFBOHWGA-KBAYOESNSA-N 2 0 317.477 2.531 20 0 DFADRP O[C@H](C[NH2+][C@@H]1CC[C@H](Cc2ccccc2)C1)C[NH+]1CCCCC1 ZINC000249084946 427086545 /nfs/dbraw/zinc/08/65/45/427086545.db2.gz FCFVGEVYCJKXMZ-VAMGGRTRSA-N 2 0 316.489 2.834 20 0 DFADRP O[C@H](C[NH2+][C@@H]1CC[C@@H](Cc2ccccc2)C1)C[NH+]1CCCCC1 ZINC000249084947 427086934 /nfs/dbraw/zinc/08/69/34/427086934.db2.gz FCFVGEVYCJKXMZ-XUVXKRRUSA-N 2 0 316.489 2.834 20 0 DFADRP O[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+][C@@H]2CC[C@@H]2C2CCC2)CC1 ZINC000338002016 427088042 /nfs/dbraw/zinc/08/80/42/427088042.db2.gz SSMRLEAMFYSPED-AKHDSKFASA-N 2 0 306.494 2.923 20 0 DFADRP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@H]1CC[C@@H](Cc2ccccc2)C1 ZINC000249118577 427088481 /nfs/dbraw/zinc/08/84/81/427088481.db2.gz OWNBAJJWVYWJSV-HOJAQTOUSA-N 2 0 315.505 2.623 20 0 DFADRP Cc1ccc(NC(=O)C[C@@H]2CCCC[C@@H]2[NH3+])c(C[NH+](C)C)c1 ZINC000296157247 427095260 /nfs/dbraw/zinc/09/52/60/427095260.db2.gz WILHOGWOARLYSZ-HOCLYGCPSA-N 2 0 303.450 2.903 20 0 DFADRP CC(C)[C@H](O)C[N@H+](C)[C@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000283906186 427095771 /nfs/dbraw/zinc/09/57/71/427095771.db2.gz JPARRJJJKHBHDW-YTQUADARSA-N 2 0 304.478 2.988 20 0 DFADRP COC[C@@H]([NH2+]CCCC[N@@H+]1CCCC[C@H]1C)C1CCOCC1 ZINC000249206362 427096749 /nfs/dbraw/zinc/09/67/49/427096749.db2.gz VYUOEOFGDPPIPU-SJLPKXTDSA-N 2 0 312.498 2.672 20 0 DFADRP CC[NH+](CC)CCC[NH2+][C@@H](C)c1cccc(N2CCOCC2)c1 ZINC000268730032 427107175 /nfs/dbraw/zinc/10/71/75/427107175.db2.gz LBLBTUYWNWYQHO-KRWDZBQOSA-N 2 0 319.493 2.906 20 0 DFADRP Cc1ccccc1[C@@H]([NH3+])C(=O)NC[C@@H](C1CCCCC1)[NH+](C)C ZINC000296196429 427107839 /nfs/dbraw/zinc/10/78/39/427107839.db2.gz YUZMCQLOKKDALX-ZWKOTPCHSA-N 2 0 317.477 2.622 20 0 DFADRP C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC000283987017 427110679 /nfs/dbraw/zinc/11/06/79/427110679.db2.gz PLQJXBUNKNUECH-AWEZNQCLSA-N 2 0 314.433 2.575 20 0 DFADRP C[C@H](C(=O)NCC1([NH+](C)C)CCCCC1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000338058192 427119616 /nfs/dbraw/zinc/11/96/16/427119616.db2.gz KNCKQBKCTDNSCX-OWCLPIDISA-N 2 0 309.498 2.628 20 0 DFADRP Cc1c([C@H](C)[NH2+]CCCC[NH+](C)C)nnn1-c1ccc(C)cc1 ZINC000268811078 427125459 /nfs/dbraw/zinc/12/54/59/427125459.db2.gz AWUQSBWXKDBNGX-HNNXBMFYSA-N 2 0 315.465 2.877 20 0 DFADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@](C)(Cc2ccccc2)[C@H](C)O)[C@@H](C)C1 ZINC000249711714 427138602 /nfs/dbraw/zinc/13/86/02/427138602.db2.gz YORGDJFQHGSRJE-ZULIPRJHSA-N 2 0 318.505 2.936 20 0 DFADRP COc1ccc(C[NH+]2CCC(C[NH2+][C@@H](C)[C@@H](C)OC)CC2)cc1 ZINC000268879314 427139641 /nfs/dbraw/zinc/13/96/41/427139641.db2.gz FGNGNUNVUMEYGG-JKSUJKDBSA-N 2 0 320.477 2.920 20 0 DFADRP Cc1cnccc1C[NH2+]Cc1cccc(CN2CCOCC2)c1 ZINC000296298607 427140549 /nfs/dbraw/zinc/14/05/49/427140549.db2.gz FZALAFWDZABZQV-UHFFFAOYSA-N 2 0 311.429 2.512 20 0 DFADRP CSC[C@](C)(O)C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000268978015 427141044 /nfs/dbraw/zinc/14/10/44/427141044.db2.gz CJFYVTXHKKCCOL-CGTJXYLNSA-N 2 0 322.518 2.743 20 0 DFADRP C[C@H]1C[C@@H]([NH2+]CC2(O)CC[NH+](C)CC2)c2ccsc2S1 ZINC000268986273 427141239 /nfs/dbraw/zinc/14/12/39/427141239.db2.gz LPCJADMPBVQNCW-WCQYABFASA-N 2 0 312.504 2.720 20 0 DFADRP C[NH+]1CCC(O)(C[NH2+][C@H]2CCCOc3c(Cl)cccc32)CC1 ZINC000268992482 427143185 /nfs/dbraw/zinc/14/31/85/427143185.db2.gz MTMWOJBHNFWOAT-HNNXBMFYSA-N 2 0 324.852 2.600 20 0 DFADRP O[C@@H](CC1CCCC1)C[NH+]1CCC(OCC[NH+]2CCCC2)CC1 ZINC000190619477 427148584 /nfs/dbraw/zinc/14/85/84/427148584.db2.gz OMUPEVFDCRIWBM-SFHVURJKSA-N 2 0 324.509 2.504 20 0 DFADRP COC[C@@H]([NH2+]CCC1CC[NH+](C)CC1)c1ccc(F)c(F)c1 ZINC000182837888 427153727 /nfs/dbraw/zinc/15/37/27/427153727.db2.gz LUUOCMIRINVTAK-QGZVFWFLSA-N 2 0 312.404 2.974 20 0 DFADRP C[C@H]([NH2+]CC1(C)OCCCO1)c1ccc(-n2ccnc2)cc1 ZINC000190652808 427154164 /nfs/dbraw/zinc/15/41/64/427154164.db2.gz NWENOQJECNDNSF-AWEZNQCLSA-N 2 0 301.390 2.676 20 0 DFADRP C[C@@H]([NH2+]CCC(C)(C)CO)c1ccc(OCC[NH+](C)C)cc1 ZINC000296359388 427157437 /nfs/dbraw/zinc/15/74/37/427157437.db2.gz IQWTYDZVWZYHBH-OAHLLOKOSA-N 2 0 308.466 2.686 20 0 DFADRP CCOc1ccc([C@@H](C)[NH2+]C[C@H](C)CN2CC[NH+](C)CC2)cc1 ZINC000121069509 271015807 /nfs/dbraw/zinc/01/58/07/271015807.db2.gz BFKZUBCVEWKSSD-DLBZAZTESA-N 2 0 319.493 2.619 20 0 DFADRP COc1ccc2c(c1)C[C@H]([NH2+]C[C@@H](C)C[NH+]1CCCC1)CC2 ZINC000162602269 271085587 /nfs/dbraw/zinc/08/55/87/271085587.db2.gz CIEQWQVUBWLBIU-CRAIPNDOSA-N 2 0 302.462 2.874 20 0 DFADRP CC1CC[NH+](CCCCNC(=O)[C@H]2CCCCCC[C@@H]2[NH3+])CC1 ZINC000165098230 271094502 /nfs/dbraw/zinc/09/45/02/271094502.db2.gz QNYXMEXGAPFNGL-ROUUACIJSA-N 2 0 323.525 2.912 20 0 DFADRP CC[NH+](CC)Cc1ccc(C(=O)N2C[C@H](C)[N@H+](C)C[C@H]2C)cc1 ZINC000338172499 427167932 /nfs/dbraw/zinc/16/79/32/427167932.db2.gz IEXGTNWJEQTSQC-JKSUJKDBSA-N 2 0 317.477 2.693 20 0 DFADRP CC[NH+](CC)Cc1ccc(C(=O)N2C[C@@H](C)[N@H+](C)C[C@H]2C)cc1 ZINC000338172498 427168770 /nfs/dbraw/zinc/16/87/70/427168770.db2.gz IEXGTNWJEQTSQC-HZPDHXFCSA-N 2 0 317.477 2.693 20 0 DFADRP CC[NH+](CC)Cc1ccc(C(=O)N[C@H](C)C[NH+](CC)CC)cc1 ZINC000338171694 427169129 /nfs/dbraw/zinc/16/91/29/427169129.db2.gz NPQZUGBMMRCEBY-MRXNPFEDSA-N 2 0 319.493 2.989 20 0 DFADRP CC[NH+](CC)Cc1ccc(C(=O)N2C[C@@H](C)[N@H+](C)C[C@@H]2C)cc1 ZINC000338172496 427169217 /nfs/dbraw/zinc/16/92/17/427169217.db2.gz IEXGTNWJEQTSQC-CVEARBPZSA-N 2 0 317.477 2.693 20 0 DFADRP [NH3+]CCCCCCC(=O)N[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000237995899 271255077 /nfs/dbraw/zinc/25/50/77/271255077.db2.gz HGZQSMBOCHAYPB-GOSISDBHSA-N 2 0 317.477 2.676 20 0 DFADRP Cc1cc(C[NH2+][C@H](C)c2cccc(OCC[NH+](C)C)c2)n(C)n1 ZINC000284283855 427172071 /nfs/dbraw/zinc/17/20/71/427172071.db2.gz JYZYCSQRLMWVKF-OAHLLOKOSA-N 2 0 316.449 2.520 20 0 DFADRP CCC[NH+](CCC)CCCC(=O)N1CC[NH+](C2CCCC2)CC1 ZINC000303360595 271364184 /nfs/dbraw/zinc/36/41/84/271364184.db2.gz ZNTLNYJMHGUAIE-UHFFFAOYSA-N 2 0 323.525 2.975 20 0 DFADRP C[NH+](C)[C@H](CNC(=O)C[C@H]([NH3+])c1ccccc1)c1ccsc1 ZINC000269528194 427218509 /nfs/dbraw/zinc/21/85/09/427218509.db2.gz VLSUFPLFAQNOEQ-JKSUJKDBSA-N 2 0 317.458 2.557 20 0 DFADRP CS[C@@H]1CC[N@H+](CCCN2CCN(c3ccccc3)CC2)C1 ZINC000296448459 427181475 /nfs/dbraw/zinc/18/14/75/427181475.db2.gz WJYMNHNUJSDCAN-GOSISDBHSA-N 2 0 319.518 2.636 20 0 DFADRP C[C@H]1C[C@@H](CC[NH2+]Cc2cncn2C)C[N@@H+]1Cc1ccccc1 ZINC000338196212 427186402 /nfs/dbraw/zinc/18/64/02/427186402.db2.gz NIBNKRDOLYRWHK-FUHWJXTLSA-N 2 0 312.461 2.810 20 0 DFADRP C[N@@H+]1CCC[C@H]1CC[NH2+][C@@H](c1ccccc1)C1(CO)CCC1 ZINC000292894207 427204113 /nfs/dbraw/zinc/20/41/13/427204113.db2.gz ZABPZQFLLREPNW-ROUUACIJSA-N 2 0 302.462 2.964 20 0 DFADRP c1cn(CC[NH2+][C@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)cn1 ZINC000183125692 427205874 /nfs/dbraw/zinc/20/58/74/427205874.db2.gz YDMPTQOCRNZBNN-ZCNNSNEGSA-N 2 0 324.472 2.773 20 0 DFADRP CC[N@H+](C)Cc1cccc(C[NH2+]Cc2cnn(CC(F)F)c2)c1 ZINC000293110025 427212576 /nfs/dbraw/zinc/21/25/76/427212576.db2.gz XFMZNXLKWIPVOI-UHFFFAOYSA-N 2 0 322.403 2.890 20 0 DFADRP CN(CC[N@H+](C)C[C@H]1CCCC(F)(F)C1)C1CC[NH+](C)CC1 ZINC000338279772 427232579 /nfs/dbraw/zinc/23/25/79/427232579.db2.gz ARKWYEOBOMNCBW-HNNXBMFYSA-N 2 0 317.468 2.770 20 0 DFADRP C(CO[C@H]1CCCCO1)C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000338284868 427233796 /nfs/dbraw/zinc/23/37/96/427233796.db2.gz KIQHRXUOTCYKOB-QRQLOZEOSA-N 2 0 322.493 2.868 20 0 DFADRP C[N@H+](CC1CC1)C[C@H]1CC[NH+](CCCO[C@@H]2CCCCO2)C1 ZINC000338318746 427255825 /nfs/dbraw/zinc/25/58/25/427255825.db2.gz RIDGJHWSNVNZTE-QZTJIDSGSA-N 2 0 310.482 2.583 20 0 DFADRP CCOc1ccc(C[NH2+]CCC[N@@H+]2CCCO[C@@H](C)C2)cc1 ZINC000277607381 427256629 /nfs/dbraw/zinc/25/66/29/427256629.db2.gz AMQJFOZIUZFCSH-INIZCTEOSA-N 2 0 306.450 2.676 20 0 DFADRP CSC[C@H](O)C[NH2+][C@@H]1CCN(Cc2ccccc2)CC1(C)C ZINC000338322042 427258835 /nfs/dbraw/zinc/25/88/35/427258835.db2.gz SCUODQZHJSJOPX-IAGOWNOFSA-N 2 0 322.518 2.601 20 0 DFADRP CSC[C@H](O)C[NH2+][C@H]1CCN(Cc2ccccc2)CC1(C)C ZINC000338322045 427259762 /nfs/dbraw/zinc/25/97/62/427259762.db2.gz SCUODQZHJSJOPX-SJORKVTESA-N 2 0 322.518 2.601 20 0 DFADRP CC(C)[NH+]1CCC([N@H+](C)CCC(=O)N(C)c2ccccc2)CC1 ZINC000269728431 427264588 /nfs/dbraw/zinc/26/45/88/427264588.db2.gz WZSPIPZUUWWFFJ-UHFFFAOYSA-N 2 0 317.477 2.844 20 0 DFADRP CC[NH+](CC)CCOc1ccc(C[NH2+]CC2(C)COC2)cc1 ZINC000285549451 427271049 /nfs/dbraw/zinc/27/10/49/427271049.db2.gz UNEKAVSJVSLGJQ-UHFFFAOYSA-N 2 0 306.450 2.533 20 0 DFADRP OC[C@@H]1CCC[N@@H+]1CCCC[NH2+][C@H]1CCc2c1c(F)ccc2F ZINC000269901172 427302124 /nfs/dbraw/zinc/30/21/24/427302124.db2.gz GRUYXIQDQXPAJM-GUYCJALGSA-N 2 0 324.415 2.779 20 0 DFADRP COc1cccc(C[NH2+]CC2CC[NH+](CCC(C)C)CC2)n1 ZINC000191296769 427310837 /nfs/dbraw/zinc/31/08/37/427310837.db2.gz BZPIVCJIQGMLPE-UHFFFAOYSA-N 2 0 305.466 2.938 20 0 DFADRP C[C@@H]1CCC[N@H+](CCCCNC(=O)[C@@H]2C[C@H]3CCCC[C@@H]3[NH2+]2)C1 ZINC000262146005 427352575 /nfs/dbraw/zinc/35/25/75/427352575.db2.gz MWCRDRKSUBWGPR-BDXSIMOUSA-N 2 0 321.509 2.535 20 0 DFADRP COc1ccccc1C[N@H+](C)CCCN1CC[NH+](C(C)C)CC1 ZINC000191405159 427341904 /nfs/dbraw/zinc/34/19/04/427341904.db2.gz WMUOJDFFVCJXBA-UHFFFAOYSA-N 2 0 319.493 2.543 20 0 DFADRP O=C(NC[C@@H]1CCC[N@H+](CC2CCCCCC2)C1)[C@@H]1CCC[NH2+]1 ZINC000261890027 427344890 /nfs/dbraw/zinc/34/48/90/427344890.db2.gz NQKSPOBBWQZVST-ROUUACIJSA-N 2 0 321.509 2.537 20 0 DFADRP CC[NH+](CC)[C@H](CNC(=O)C1CC[NH+](C2CC2)CC1)CC(C)C ZINC000338833672 271603630 /nfs/dbraw/zinc/60/36/30/271603630.db2.gz LBODMAFMFBXMAZ-SFHVURJKSA-N 2 0 323.525 2.734 20 0 DFADRP CC[N@H+](Cc1ccc(N(C)C(C)C)nc1)[C@H]1CCC[NH2+]CC1 ZINC000262047895 427350238 /nfs/dbraw/zinc/35/02/38/427350238.db2.gz ZGFAEHLQWOBTPL-KRWDZBQOSA-N 2 0 304.482 2.890 20 0 DFADRP C[NH+]1CCC(O)(C[NH2+]Cc2cc(Cl)ccc2Cl)CC1 ZINC000269877610 427296432 /nfs/dbraw/zinc/29/64/32/427296432.db2.gz QHJMIAMBYRDXTR-UHFFFAOYSA-N 2 0 303.233 2.540 20 0 DFADRP CC(C)(CCC[NH3+])NC(=O)C1CC[NH+](Cc2ccccc2)CC1 ZINC000293576308 427370137 /nfs/dbraw/zinc/37/01/37/427370137.db2.gz CVGFOQIJYDJVFJ-UHFFFAOYSA-N 2 0 317.477 2.532 20 0 DFADRP CC[N@H+](C)Cc1cccc(CNC(=O)[C@@H]2CCCC[C@@]2(C)[NH3+])c1 ZINC000262896441 427377655 /nfs/dbraw/zinc/37/76/55/427377655.db2.gz DCQFWTRDFZZNNA-PKOBYXMFSA-N 2 0 317.477 2.662 20 0 DFADRP C[N@@H+]1CCCC[C@H]1CCN1CCC(Oc2ncccc2F)CC1 ZINC000278041337 427389728 /nfs/dbraw/zinc/38/97/28/427389728.db2.gz CLQQYCICTZGXKY-HNNXBMFYSA-N 2 0 321.440 2.938 20 0 DFADRP COc1ccc([C@@H](C)C[NH2+]CCC[N@@H+]2CCCO[C@H](C)C2)cc1 ZINC000278066628 427397102 /nfs/dbraw/zinc/39/71/02/427397102.db2.gz ZCHQKDJLQQXJEG-DLBZAZTESA-N 2 0 320.477 2.889 20 0 DFADRP CCO[C@@H]1C[C@H]([NH2+]Cc2cccc(C[NH+](C)C)c2)[C@@H]1SC ZINC000297313108 427397562 /nfs/dbraw/zinc/39/75/62/427397562.db2.gz BWXIDTJWAIENJY-BBWFWOEESA-N 2 0 308.491 2.747 20 0 DFADRP C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)[C@H]2CCCC[C@@]2(C)[NH3+])C1 ZINC000263055787 427405019 /nfs/dbraw/zinc/40/50/19/427405019.db2.gz UYYVFJWOROMVFR-IIDMSEBBSA-N 2 0 309.498 2.521 20 0 DFADRP CCC[C@@H](C)NC(=O)[C@@H]1CCC[N@H+](CCC[NH+](CC)CC)C1 ZINC000191466558 427355686 /nfs/dbraw/zinc/35/56/86/427355686.db2.gz QFEJUXUCNTYKHK-IAGOWNOFSA-N 2 0 311.514 2.735 20 0 DFADRP C[C@H](NCC(C)(C)C[NH+](C)C)c1ccc(C(=O)N(C)C)cc1 ZINC000293568108 427368130 /nfs/dbraw/zinc/36/81/30/427368130.db2.gz XVWGMSNFFYRDFP-AWEZNQCLSA-N 2 0 305.466 2.627 20 0 DFADRP CC(C)[NH+]1CCC([NH2+][C@@H]2CCN(c3ccccc3F)C2)CC1 ZINC000293823662 427451159 /nfs/dbraw/zinc/45/11/59/427451159.db2.gz WDGFHKRMGOQROO-MRXNPFEDSA-N 2 0 305.441 2.867 20 0 DFADRP C[C@H]([NH2+][C@H]1CCOC[C@H]1C)c1ccc(OCC[NH+](C)C)cc1 ZINC000278788927 427451287 /nfs/dbraw/zinc/45/12/87/427451287.db2.gz YPARTIQMDVFQCJ-VKJFTORMSA-N 2 0 306.450 2.703 20 0 DFADRP C[NH+](C)Cc1ccc(C(=O)NCCCCC[NH+]2CCCC2)cc1 ZINC000293836607 427457403 /nfs/dbraw/zinc/45/74/03/427457403.db2.gz FDXJUFRBRATMOT-UHFFFAOYSA-N 2 0 317.477 2.744 20 0 DFADRP CC(C)C[C@H](CCO)C[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000297818568 427460704 /nfs/dbraw/zinc/46/07/04/427460704.db2.gz YRDYCBYUUBSEDQ-INIZCTEOSA-N 2 0 305.466 2.685 20 0 DFADRP C[C@H]([NH3+])[C@H](C)C(=O)Nc1ccc(-c2cn3c(n2)CCCC3)cc1 ZINC000192100960 427480001 /nfs/dbraw/zinc/48/00/01/427480001.db2.gz DJJCLWQDNDZVBO-STQMWFEESA-N 2 0 312.417 2.808 20 0 DFADRP C[C@@H](C(=O)Nc1ccc(C[NH+]2CCCCCC2)cc1)[C@H](C)[NH3+] ZINC000192104609 427480024 /nfs/dbraw/zinc/48/00/24/427480024.db2.gz NNEYUAOJDJPIML-CABCVRRESA-N 2 0 303.450 2.984 20 0 DFADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1ccnc(N)c1 ZINC000278871981 427484310 /nfs/dbraw/zinc/48/43/10/427484310.db2.gz OEMSPDADHQYDKV-CRAIPNDOSA-N 2 0 310.445 2.664 20 0 DFADRP C[C@@H](CCO)C1(C[NH2+]C2CCN(c3cc[nH+]cc3)CC2)CCC1 ZINC000297676584 427427950 /nfs/dbraw/zinc/42/79/50/427427950.db2.gz OXUUCPKURKQUMQ-INIZCTEOSA-N 2 0 317.477 2.829 20 0 DFADRP CC[N@@H+]1CC[C@H](C[NH2+][C@@H]2CCCN(Cc3ccccc3)[C@H]2C)C1 ZINC000293779563 427433220 /nfs/dbraw/zinc/43/32/20/427433220.db2.gz QBDWMIDZMICMHU-DFQSSKMNSA-N 2 0 315.505 2.971 20 0 DFADRP c1ccc([C@@H]2OCC[C@H]2C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000191858112 427434733 /nfs/dbraw/zinc/43/47/33/427434733.db2.gz HWUKPECPGOSWPY-MANSERQUSA-N 2 0 300.446 2.981 20 0 DFADRP C[C@@H]1CC[N@H+](Cc2cccc3nsnc32)C[C@H]1n1ccnc1 ZINC000271202136 427446819 /nfs/dbraw/zinc/44/68/19/427446819.db2.gz FOXYXNUMUAWSRQ-IUODEOHRSA-N 2 0 313.430 2.971 20 0 DFADRP C[C@@H](C[S@@](C)=O)[NH2+]C1CCC([N@H+](C)Cc2ccccc2)CC1 ZINC000286327674 427494275 /nfs/dbraw/zinc/49/42/75/427494275.db2.gz YHBXTONRHIULAN-BVUYIUPRSA-N 2 0 322.518 2.786 20 0 DFADRP C[C@H](C[NH2+][C@H](C)[C@H]1C[C@@H]1c1ccccc1)CN1CC[NH+](C)CC1 ZINC000338795524 427495158 /nfs/dbraw/zinc/49/51/58/427495158.db2.gz SCRLBOJZNFQLKF-HNBVOPMISA-N 2 0 315.505 2.652 20 0 DFADRP CCOc1cc(C[N@H+](C)[C@@H]2CC[NH+](CC)C[C@@H]2C)ccc1O ZINC000297990074 427497907 /nfs/dbraw/zinc/49/79/07/427497907.db2.gz YPRXNOLLAARTBO-GOEBONIOSA-N 2 0 306.450 2.953 20 0 DFADRP COc1ccc(F)c(C[N@@H+]2CC[C@@H](C3CC[NH+](C)CC3)C2)c1 ZINC000293957486 427502673 /nfs/dbraw/zinc/50/26/73/427502673.db2.gz PPCOMVIGXYDSHP-OAHLLOKOSA-N 2 0 306.425 2.998 20 0 DFADRP Cc1ccncc1[C@H](C)[NH2+]CCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000271352348 427504751 /nfs/dbraw/zinc/50/47/51/427504751.db2.gz DLLVJNGZWBOHHS-BBWFWOEESA-N 2 0 305.466 2.930 20 0 DFADRP CC[NH+](CC)CCOCC[NH2+][C@@H]1CCC[C@H]([C@@H]2CCOC2)C1 ZINC000341382962 271817136 /nfs/dbraw/zinc/81/71/36/271817136.db2.gz QVCRPLREZNDRSP-RCCFBDPRSA-N 2 0 312.498 2.530 20 0 DFADRP COc1ccc(C(=O)CCN2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)cc1 ZINC000286411951 427520018 /nfs/dbraw/zinc/52/00/18/427520018.db2.gz LXPCAHNFPQKHMA-WMZOPIPTSA-N 2 0 316.445 2.684 20 0 DFADRP CC[NH+](CC)CC1CC[NH+](C[C@H](O)Cc2ccc(F)cc2)CC1 ZINC000338912717 427555249 /nfs/dbraw/zinc/55/52/49/427555249.db2.gz QUXIWOFVIYSHJF-LJQANCHMSA-N 2 0 322.468 2.783 20 0 DFADRP C[C@@H](Cn1cccn1)[NH2+][C@@H](C)c1ccc(OCC[NH+](C)C)cc1 ZINC000271430165 427535094 /nfs/dbraw/zinc/53/50/94/427535094.db2.gz DJJZIPFJGSNUJK-HOTGVXAUSA-N 2 0 316.449 2.563 20 0 DFADRP C[C@H]([NH2+]C1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)c1cccc(F)c1 ZINC000271440600 427537315 /nfs/dbraw/zinc/53/73/15/427537315.db2.gz CGSKCVBMIKWVRJ-VHSSKADRSA-N 2 0 306.425 2.854 20 0 DFADRP Cc1ccc(NC2CC[NH+](C3CC3)CC2)c(OCC[NH+](C)C)c1 ZINC000298240803 427544124 /nfs/dbraw/zinc/54/41/24/427544124.db2.gz CEJVDWZDXPBVGS-UHFFFAOYSA-N 2 0 317.477 2.974 20 0 DFADRP C[N@@H+](CCc1cn[nH]c1)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000298245275 427544285 /nfs/dbraw/zinc/54/42/85/427544285.db2.gz CVWMYZLAZOZQCN-UHFFFAOYSA-N 2 0 313.449 2.586 20 0 DFADRP c1cc(N2CCC([NH2+]CCCOC3CCCC3)CC2)cc[nH+]1 ZINC000298244134 427544342 /nfs/dbraw/zinc/54/43/42/427544342.db2.gz CSBPHLNPJRXCRR-UHFFFAOYSA-N 2 0 303.450 2.989 20 0 DFADRP C[C@](O)(C[NH2+]C1CCN(c2cc[nH+]cc2)CC1)c1ccsc1 ZINC000298478586 427624174 /nfs/dbraw/zinc/62/41/74/427624174.db2.gz PIIXBULFIUMBRT-KRWDZBQOSA-N 2 0 317.458 2.609 20 0 DFADRP CC[NH+](CC)Cc1ccc(C(=O)NCCC[N@H+](C)C(C)C)cc1 ZINC000298461602 427617674 /nfs/dbraw/zinc/61/76/74/427617674.db2.gz WTVNFTBMBJKXSM-UHFFFAOYSA-N 2 0 319.493 2.989 20 0 DFADRP CCCCOCC[NH+]1CCC(C[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000338940913 427572242 /nfs/dbraw/zinc/57/22/42/427572242.db2.gz ZMIDIDWKMGAXLQ-IAGOWNOFSA-N 2 0 312.498 2.624 20 0 DFADRP O[C@@H](C[NH2+]C1CCN(c2cc[nH+]cc2)CC1)c1ccccc1F ZINC000298516003 427634054 /nfs/dbraw/zinc/63/40/54/427634054.db2.gz RGBTUSWIPIRBSK-SFHVURJKSA-N 2 0 315.392 2.513 20 0 DFADRP COc1ccc(O[C@H](C)C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc1 ZINC000192909148 427635358 /nfs/dbraw/zinc/63/53/58/427635358.db2.gz FWMCICJGYJQNJH-WZYMTQMTSA-N 2 0 304.434 2.677 20 0 DFADRP CCC[NH+]1CCC(NC[C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000192921040 427636769 /nfs/dbraw/zinc/63/67/69/427636769.db2.gz RYAHQYDCDICKMT-LJQANCHMSA-N 3 0 315.505 2.973 20 0 DFADRP Fc1ccc(OCC[NH2+]C2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC000298545188 427645158 /nfs/dbraw/zinc/64/51/58/427645158.db2.gz UAYIGLKTPRUYKX-UHFFFAOYSA-N 2 0 315.392 2.858 20 0 DFADRP C[C@@H]1C[C@@H](C)C[NH+](CCCC[NH2+]Cc2cn3cccnc3n2)C1 ZINC000298561910 427648117 /nfs/dbraw/zinc/64/81/17/427648117.db2.gz WBEQGSCKYCEUMY-HZPDHXFCSA-N 2 0 315.465 2.577 20 0 DFADRP CC[NH+]1CCN(c2ccccc2C[NH2+][C@H]2CC[C@@H](F)C2)CC1 ZINC000342291776 271983291 /nfs/dbraw/zinc/98/32/91/271983291.db2.gz NRSUTXZUVODMIY-SJORKVTESA-N 2 0 305.441 2.809 20 0 DFADRP C[C@H]([NH2+]C[C@@H]1CCOC[C@H]1C)c1ccc(OCC[NH+](C)C)cc1 ZINC000287632457 427658398 /nfs/dbraw/zinc/65/83/98/427658398.db2.gz UGPQEFMAAILBCX-RYRKJORJSA-N 2 0 320.477 2.950 20 0 DFADRP CCC1CC([NH2+]CCCN2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000342679450 272040226 /nfs/dbraw/zinc/04/02/26/272040226.db2.gz ZGRQGVFACZANFU-UHFFFAOYSA-N 2 0 315.505 2.973 20 0 DFADRP Cc1ccccc1C[C@H]([NH2+]CC1CC[NH+](CCO)CC1)C1CC1 ZINC000342687189 272041160 /nfs/dbraw/zinc/04/11/60/272041160.db2.gz HQWFNLMPMRSZBR-FQEVSTJZSA-N 2 0 316.489 2.610 20 0 DFADRP Cc1ccccc1C[C@@H]([NH2+]C[C@@H](O)C[NH+]1CCCCC1)C1CC1 ZINC000342687610 272041602 /nfs/dbraw/zinc/04/16/02/272041602.db2.gz RTXHPOBPCYSTDN-WOJBJXKFSA-N 2 0 316.489 2.753 20 0 DFADRP CCCN(CC[NH+]1CCCCC1)C(=O)[C@@H](C1CC1)[NH+]1CCCC1 ZINC000342776428 272052939 /nfs/dbraw/zinc/05/29/39/272052939.db2.gz HAWNEFVYCPEWLQ-GOSISDBHSA-N 2 0 321.509 2.585 20 0 DFADRP C[C@@H]1CC(C)(C)C[C@H]1[NH2+]Cc1ccnc(N2CC[NH+](C)CC2)c1 ZINC000193124224 427669651 /nfs/dbraw/zinc/66/96/51/427669651.db2.gz ZXABSYVLAMOKFQ-NVXWUHKLSA-N 2 0 316.493 2.748 20 0 DFADRP Cc1ccc(C[NH+](C)C)cc1NC(=O)C[C@H]1CCCC[C@H]1[NH3+] ZINC000295043626 427670213 /nfs/dbraw/zinc/67/02/13/427670213.db2.gz FBYGSVBYKFHBKR-HZPDHXFCSA-N 2 0 303.450 2.903 20 0 DFADRP C[NH+]1CCN(CCC[NH2+][C@@H]2CCc3ccc(Cl)cc32)CC1 ZINC000343092467 272084695 /nfs/dbraw/zinc/08/46/95/272084695.db2.gz QSDUAENGEKJOPJ-QGZVFWFLSA-N 2 0 307.869 2.554 20 0 DFADRP C[N@@H+]1CCCN(CCC[NH2+][C@H]2CCc3ccc(Cl)cc32)CC1 ZINC000343101793 272086290 /nfs/dbraw/zinc/08/62/90/272086290.db2.gz JFRIZPFNZPYJHR-SFHVURJKSA-N 2 0 321.896 2.945 20 0 DFADRP C[C@H](C[NH2+][C@@H]1CCc2ccc(Cl)cc21)CN1CC[NH+](C)CC1 ZINC000343102770 272087566 /nfs/dbraw/zinc/08/75/66/272087566.db2.gz MWYQPEDMCUWLBE-RDTXWAMCSA-N 2 0 321.896 2.800 20 0 DFADRP C[C@@H]([NH2+]CC1(C)CC[NH+](C)CC1)c1cccc(-n2ccnn2)c1 ZINC000287689651 427672027 /nfs/dbraw/zinc/67/20/27/427672027.db2.gz NBURUTYPKQVKCM-OAHLLOKOSA-N 2 0 313.449 2.650 20 0 DFADRP CCN1C[C@@H](C)[C@@H]([NH2+]CCCCOCCc2ccccc2)C1 ZINC000343372883 272129759 /nfs/dbraw/zinc/12/97/59/272129759.db2.gz ZJZQQXFWCQJABX-MJGOQNOKSA-N 2 0 304.478 2.956 20 0 DFADRP CC[NH+](CC)[C@H](C(=O)N[C@@H]1CCC[N@H+](C)[C@@H]1C)c1ccccc1 ZINC000343466146 272153974 /nfs/dbraw/zinc/15/39/74/272153974.db2.gz VGOYZCKEKLRNCI-NXHRZFHOSA-N 2 0 317.477 2.668 20 0 DFADRP COC(=O)c1occc1C[NH2+]CCCC[N@@H+]1CCC[C@@H](C)C1 ZINC000343479585 272156796 /nfs/dbraw/zinc/15/67/96/272156796.db2.gz RGOZYXBNQSEDNM-CQSZACIVSA-N 2 0 308.422 2.668 20 0 DFADRP CCC(CC)NC(=O)[C@@H](C)[NH+]1CCC(C[NH+](CC)CC)CC1 ZINC000343579618 272175586 /nfs/dbraw/zinc/17/55/86/272175586.db2.gz LZXLJPWIGPSJQP-OAHLLOKOSA-N 2 0 311.514 2.734 20 0 DFADRP C[C@@H]1C[N@H+](CCCc2ccsc2)CCN1C1CC[NH+](C)CC1 ZINC000343719592 272207831 /nfs/dbraw/zinc/20/78/31/272207831.db2.gz KWEBTADATICQST-MRXNPFEDSA-N 2 0 321.534 2.781 20 0 DFADRP CN(CCC[N@H+](C)C[C@H]1CCCC(F)(F)C1)CC[NH+](C)C ZINC000344064380 272255096 /nfs/dbraw/zinc/25/50/96/272255096.db2.gz NSKQFKPEOZOYBZ-HNNXBMFYSA-N 2 0 305.457 2.627 20 0 DFADRP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+]CCc1ccc(O)cc1 ZINC000344095504 272262943 /nfs/dbraw/zinc/26/29/43/272262943.db2.gz BBPKYSPAMOWNBK-UHFFFAOYSA-N 2 0 308.385 2.614 20 0 DFADRP C[N@H+]1CC=C(C[NH2+][C@@H](Cc2ccccn2)c2cccnc2)CC1 ZINC000344294594 272306434 /nfs/dbraw/zinc/30/64/34/272306434.db2.gz JEMHBOVTXFCAKP-IBGZPJMESA-N 2 0 308.429 2.612 20 0 DFADRP CCN1C[C@H](C)[C@H]([NH2+][C@H]2CCCN(c3cccc(F)c3)C2)C1 ZINC000344387163 272325426 /nfs/dbraw/zinc/32/54/26/272325426.db2.gz RHDDATANMACVEG-QILLFSRXSA-N 2 0 305.441 2.724 20 0 DFADRP C[N@@H+]1CCCC(C)(C)[C@H]1CNC(=O)[C@H]1CCC[NH+]1C1CCCC1 ZINC000344662696 272353122 /nfs/dbraw/zinc/35/31/22/272353122.db2.gz KFVCWYUIEZAZRK-IAGOWNOFSA-N 2 0 321.509 2.630 20 0 DFADRP CC1(C)[C@H](O)C[C@@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000193313654 427681857 /nfs/dbraw/zinc/68/18/57/427681857.db2.gz MCBIZNMAKSZKKG-HDDXRBDOSA-N 2 0 314.473 2.931 20 0 DFADRP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](N[C@@H]2CC[NH+](C)[C@H](C)C2)C1 ZINC000344676994 272354969 /nfs/dbraw/zinc/35/49/69/272354969.db2.gz JUURBIOCVPEELI-PSBWJHGTSA-N 2 0 301.478 2.894 20 0 DFADRP CO[C@H](c1ccccc1)[C@H](C)[NH2+]CCCC[N@@H+]1CCC[C@H]1CO ZINC000279841743 427722130 /nfs/dbraw/zinc/72/21/30/427722130.db2.gz ZXDVDCKDDJSDQC-WDSOQIARSA-N 2 0 320.477 2.589 20 0 DFADRP COc1cc2[nH+]ccc(N3CC[C@H](C[NH+](C)C)C3)c2cc1OC ZINC000298856603 427717991 /nfs/dbraw/zinc/71/79/91/427717991.db2.gz JGCCBLOJMXXDDZ-CYBMUJFWSA-N 2 0 315.417 2.640 20 0 DFADRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+]Cc1csc(C(C)(C)C)n1 ZINC000185863334 427720093 /nfs/dbraw/zinc/72/00/93/427720093.db2.gz DMAWYXKLVDHYFT-CQSZACIVSA-N 2 0 324.538 2.556 20 0 DFADRP CC(C)(C)[NH+]1CCC([NH2+][C@@H]2CCO[C@H](C(F)(F)F)C2)CC1 ZINC000336847909 427757516 /nfs/dbraw/zinc/75/75/16/427757516.db2.gz GVIDYMAFMJFNJA-OLZOCXBDSA-N 2 0 308.388 2.949 20 0 DFADRP CC(C)[C@@H](C[NH2+][C@@H](C)CCCC(F)(F)F)N1CC[NH+](C)CC1 ZINC000336860894 427763978 /nfs/dbraw/zinc/76/39/78/427763978.db2.gz VWQMWTDKYITGEK-LSDHHAIUSA-N 2 0 323.447 2.969 20 0 DFADRP CC[C@@H](C)C[N@H+](Cc1nccn1CC)[C@H]1CC12CC[NH2+]CC2 ZINC000339407384 427769526 /nfs/dbraw/zinc/76/95/26/427769526.db2.gz KFJBOIZYBYKFOF-CVEARBPZSA-N 2 0 304.482 2.893 20 0 DFADRP C[C@@H]1CC(C)(C)C[C@@H]1[NH2+]C[C@H](O)CN1CCc2ccccc2C1 ZINC000339547021 427791295 /nfs/dbraw/zinc/79/12/95/427791295.db2.gz VTQZERPAVYAULZ-MNEFBYGVSA-N 2 0 316.489 2.820 20 0 DFADRP Cc1cccc2ncc(C[NH2+]CCCCC[NH+]3CCCC3)n21 ZINC000339501373 427783957 /nfs/dbraw/zinc/78/39/57/427783957.db2.gz WFHSLSFEYYZXPA-UHFFFAOYSA-N 2 0 300.450 2.998 20 0 DFADRP COC(=O)CCC[C@H]1CCC[C@H]([NH2+]CC2CC[NH+](C)CC2)C1 ZINC000339240345 427739271 /nfs/dbraw/zinc/73/92/71/427739271.db2.gz SCYUVIMKURPVIK-WBVHZDCISA-N 2 0 310.482 2.820 20 0 DFADRP C[C@H]([NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]12)[C@H]1CCOC1 ZINC000336656111 427745728 /nfs/dbraw/zinc/74/57/28/427745728.db2.gz KQHWMTLLADATQW-AXDKOMKPSA-N 2 0 314.473 2.912 20 0 DFADRP COc1cc2[nH+]ccc(NCC3=CC[N@H+](C)CC3)c2cc1OC ZINC000299081762 427748657 /nfs/dbraw/zinc/74/86/57/427748657.db2.gz VSOTUZGEUGNOMQ-UHFFFAOYSA-N 2 0 313.401 2.926 20 0 DFADRP C[C@H](CCC[NH3+])[NH2+]Cc1cc(Br)cc2c1OCC2 ZINC000336791952 427751702 /nfs/dbraw/zinc/75/17/02/427751702.db2.gz PUVPQSYXYGBHDV-SNVBAGLBSA-N 2 0 313.239 2.601 20 0 DFADRP CC(C)C[N@@H+]1CCO[C@H](CNc2cc(C(F)(F)F)ccn2)C1 ZINC000301510035 427801088 /nfs/dbraw/zinc/80/10/88/427801088.db2.gz DXSBMBJZSOHOJO-CYBMUJFWSA-N 2 0 317.355 2.869 20 0 DFADRP CCO[C@H]1C[C@H]([NH2+]CCCCC[NH+]2CCCC2)C12CCOCC2 ZINC000340474177 427857753 /nfs/dbraw/zinc/85/77/53/427857753.db2.gz RJQFVIDGLHUQNZ-ROUUACIJSA-N 2 0 324.509 2.816 20 0 DFADRP CCCc1cc(N2CC[NH+]([C@@H](C)CO)CC2)c2ccccc2[nH+]1 ZINC000301806728 427826440 /nfs/dbraw/zinc/82/64/40/427826440.db2.gz BZULQHMGZMEURY-HNNXBMFYSA-N 2 0 313.445 2.690 20 0 DFADRP COc1cccc(C[C@H](C)[NH2+]CCCCC[NH+]2CCCC2)n1 ZINC000340476224 427858499 /nfs/dbraw/zinc/85/84/99/427858499.db2.gz GKJLAVNLHFNMNG-INIZCTEOSA-N 2 0 305.466 2.877 20 0 DFADRP CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)C[C@H]1C ZINC000359408057 427839624 /nfs/dbraw/zinc/83/96/24/427839624.db2.gz JWPSYFHWKNUAHZ-ZHCJQAHYSA-N 2 0 308.466 2.571 20 0 DFADRP CC[NH+](CC)CCOCC[NH2+][C@H]1CCc2ccc(OC)cc2C1 ZINC000349686305 427843061 /nfs/dbraw/zinc/84/30/61/427843061.db2.gz UVVJPRSCMOJAIY-SFHVURJKSA-N 2 0 320.477 2.501 20 0 DFADRP [NH3+]CCC[N@H+](Cc1ccccc1)Cc1ccc(-n2cncn2)cc1 ZINC000359454479 427858760 /nfs/dbraw/zinc/85/87/60/427858760.db2.gz AZJBNOVJNMTZPD-UHFFFAOYSA-N 2 0 321.428 2.618 20 0 DFADRP CCc1cc(OC)ccc1C[NH2+]CCCC[N@@H+]1CCC[C@H]1CO ZINC000337328415 427846035 /nfs/dbraw/zinc/84/60/35/427846035.db2.gz DYLWFVYNPHFMOE-SFHVURJKSA-N 2 0 320.477 2.584 20 0 DFADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)C[C@@H]1CC[C@@H](C)C1 ZINC000345657202 427848731 /nfs/dbraw/zinc/84/87/31/427848731.db2.gz VFUGDLBLFVBZDF-KZNAEPCWSA-N 2 0 323.525 2.687 20 0 DFADRP CC[NH+](CC)CCOCC[NH2+][C@@H](C)c1cc(F)cc(F)c1 ZINC000349720340 427850045 /nfs/dbraw/zinc/85/00/45/427850045.db2.gz KPQSXCREUZSULK-ZDUSSCGKSA-N 2 0 300.393 2.974 20 0 DFADRP CC[C@@H](Cn1cncn1)[NH2+]Cc1ccccc1C[N@H+](C)C(C)C ZINC000340461604 427854754 /nfs/dbraw/zinc/85/47/54/427854754.db2.gz KIROTCLLNBSNOQ-SFHVURJKSA-N 2 0 315.465 2.687 20 0 DFADRP Cc1nccnc1CC[NH2+]C1CC[NH+]([C@H]2CCC[C@@H](C)C2)CC1 ZINC000340489387 427861742 /nfs/dbraw/zinc/86/17/42/427861742.db2.gz MGRNGWWAFAKVBS-QAPCUYQASA-N 2 0 316.493 2.960 20 0 DFADRP CCSCC[NH2+]Cc1ccc(CN2CC[NH+](CC)CC2)cc1 ZINC000355731153 427866637 /nfs/dbraw/zinc/86/66/37/427866637.db2.gz GZSWHOFXIHXRRW-UHFFFAOYSA-N 2 0 321.534 2.667 20 0 DFADRP Cc1ccc(C[NH2+]C(C)(C)CCN2CC[NH+](C)CC2)cc1F ZINC000349810315 427868674 /nfs/dbraw/zinc/86/86/74/427868674.db2.gz ANHATKFMYZXSOH-UHFFFAOYSA-N 2 0 307.457 2.640 20 0 DFADRP COc1cc(C)c(C[C@@H](C)[NH2+]CCCC[NH+](C)C)cc1OC ZINC000337374031 427872268 /nfs/dbraw/zinc/87/22/68/427872268.db2.gz FNPUZARDFBKDHV-OAHLLOKOSA-N 2 0 308.466 2.875 20 0 DFADRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+]Cc1cc2cc(F)ccc2o1 ZINC000349830771 427873948 /nfs/dbraw/zinc/87/39/48/427873948.db2.gz RLGOOMWFZVHVPS-CQSZACIVSA-N 2 0 319.424 2.688 20 0 DFADRP CC(C)[C@H](C(=O)N(C)CC[C@@H]1CCCC[N@@H+]1C)[NH+]1CCCCC1 ZINC000359519178 427887599 /nfs/dbraw/zinc/88/75/99/427887599.db2.gz RDSOECUCXBNBHO-ZWKOTPCHSA-N 2 0 323.525 2.830 20 0 DFADRP C[C@@H]([NH2+]CCN1CC[NH+](Cc2ccccc2)CC1)C(C)(C)C ZINC000359528249 427892948 /nfs/dbraw/zinc/89/29/48/427892948.db2.gz UJHKYUBIGONLSS-QGZVFWFLSA-N 2 0 303.494 2.828 20 0 DFADRP C[NH+]1CCN(c2ncccc2C[NH2+][C@@H]2CCC[C@@H]3C[C@@]32C)CC1 ZINC000337415964 427893205 /nfs/dbraw/zinc/89/32/05/427893205.db2.gz ZJJIGSSNSHPBQC-LMMKCTJWSA-N 2 0 314.477 2.502 20 0 DFADRP Cc1c[nH+]ccc1NCC1(C[NH+]2CCOCC2)CCCCC1 ZINC000359538002 427897739 /nfs/dbraw/zinc/89/77/39/427897739.db2.gz AUUGSRMLAIAVAV-UHFFFAOYSA-N 2 0 303.450 2.507 20 0 DFADRP CCc1nc(C)cc(NC[C@H]2CC[N@H+](CCc3ccccc3)C2)n1 ZINC000340025858 427903777 /nfs/dbraw/zinc/90/37/77/427903777.db2.gz VBAYBFLWGOSWAO-GOSISDBHSA-N 2 0 324.472 3.324 20 0 DFADRP C[NH+]1CCC(C)(C[NH2+][C@H]2CCCN(Cc3ccccc3)C2)CC1 ZINC000303552361 427905517 /nfs/dbraw/zinc/90/55/17/427905517.db2.gz ZBURJRYQAMRCPM-IBGZPJMESA-N 2 0 315.505 2.973 20 0 DFADRP C[C@H](CC1CCOCC1)C[N@@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@@H]21 ZINC000349971453 427911780 /nfs/dbraw/zinc/91/17/80/427911780.db2.gz JQFRLEONTAYULE-OQIJWPOYSA-N 2 0 324.509 2.623 20 0 DFADRP CC(C)[NH+]1CCN(CCC[N@@H+]2CC[C@@H](C(F)(F)F)[C@H]2C)CC1 ZINC000337469176 427920457 /nfs/dbraw/zinc/92/04/57/427920457.db2.gz OPIRZWUTSFKONL-HUUCEWRRSA-N 2 0 321.431 2.675 20 0 DFADRP CC[C@@H](C(=O)N(CC[NH+](C)C)Cc1ccccc1)[NH+](CC)CC ZINC000359577033 427920663 /nfs/dbraw/zinc/92/06/63/427920663.db2.gz BCDCJBIHJFYKTJ-SFHVURJKSA-N 2 0 319.493 2.697 20 0 DFADRP COCC[C@@H]1CCC[C@@H]1[NH2+]C1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000337468893 427920637 /nfs/dbraw/zinc/92/06/37/427920637.db2.gz MTTBAQUGQVNAME-GDAAHCPNSA-N 2 0 324.509 2.549 20 0 DFADRP C[C@@H](O)C[N@H+](C)C1CC[NH+](C[C@H]2CCc3ccccc3C2)CC1 ZINC000359587546 427923847 /nfs/dbraw/zinc/92/38/47/427923847.db2.gz FCILMUGATARLKM-SJORKVTESA-N 2 0 316.489 2.569 20 0 DFADRP CC[N@@H+]1C[C@H](C)N(C(=O)[C@H]2CC[NH+](C3CCCCC3)C2)C[C@H]1C ZINC000345933209 427957072 /nfs/dbraw/zinc/95/70/72/427957072.db2.gz AKMAYIVNJGXKMS-IKGGRYGDSA-N 2 0 321.509 2.582 20 0 DFADRP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]Cc1cccc(C[NH+]2CCCC2)c1 ZINC000359678975 427969313 /nfs/dbraw/zinc/96/93/13/427969313.db2.gz OSNACBRMAHPODI-VQIMIIECSA-N 3 0 301.478 2.712 20 0 DFADRP C[C@@H]1[C@H]([NH2+][C@@H]2C[C@H](O)C2(C)C)CCCN1Cc1ccccc1 ZINC000340356218 427995679 /nfs/dbraw/zinc/99/56/79/427995679.db2.gz PDRMXAUZDBMSSX-DDBAPUKQSA-N 2 0 302.462 2.789 20 0 DFADRP CCN(CC)c1ncc(C[NH+]2CCC([C@H]3CCC[NH2+]3)CC2)s1 ZINC000347023852 272712710 /nfs/dbraw/zinc/71/27/10/272712710.db2.gz QEHAUUGOLHVOQF-MRXNPFEDSA-N 2 0 322.522 2.953 20 0 DFADRP CCC[NH+]1CCC(C[NH2+]Cc2cn3cc(C)ccc3n2)CC1 ZINC000341043706 427976087 /nfs/dbraw/zinc/97/60/87/427976087.db2.gz JDLOGQAIIHSJLD-UHFFFAOYSA-N 2 0 300.450 2.854 20 0 DFADRP c1cncc(CN2CCC([NH2+]CCC[NH+]3CCCCC3)CC2)c1 ZINC000359621607 427940406 /nfs/dbraw/zinc/94/04/06/427940406.db2.gz VLOIQEAGIWQUSH-UHFFFAOYSA-N 2 0 316.493 2.512 20 0 DFADRP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+](C)C[C@@H]1CCCCO1 ZINC000346131320 428030748 /nfs/dbraw/zinc/03/07/48/428030748.db2.gz ARMFWMGRCCOOLJ-KRWDZBQOSA-N 2 0 300.406 2.577 20 0 DFADRP CC(C)[C@H]1C[C@H]([NH2+]Cc2cccnc2-n2ccnc2)CS1 ZINC000377015413 428041333 /nfs/dbraw/zinc/04/13/33/428041333.db2.gz XHWSCADTVZKWHW-LSDHHAIUSA-N 2 0 302.447 2.887 20 0 DFADRP C[C@@H]1C[N@@H+](CC2CC[NH+](CCC(F)(F)F)CC2)C[C@H](C)O1 ZINC000369583407 428006528 /nfs/dbraw/zinc/00/65/28/428006528.db2.gz ILKOKSXJHKGVMW-BETUJISGSA-N 2 0 308.388 2.760 20 0 DFADRP Cc1nccn1CC[N@@H+]1CC[C@H](Oc2cccc(Cl)c2)C1 ZINC000346210914 428071394 /nfs/dbraw/zinc/07/13/94/428071394.db2.gz OXULYQIKKGGEGE-INIZCTEOSA-N 2 0 305.809 2.998 20 0 DFADRP Cn1ccnc1-c1cccc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000369840222 428073566 /nfs/dbraw/zinc/07/35/66/428073566.db2.gz KGGAIKRSVGBNFV-MSOLQXFVSA-N 2 0 310.445 2.804 20 0 DFADRP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCSCCCO ZINC000377177256 428076169 /nfs/dbraw/zinc/07/61/69/428076169.db2.gz DACQMJDUIHIONR-FUHWJXTLSA-N 2 0 322.518 2.602 20 0 DFADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCSCCCO ZINC000377177255 428077282 /nfs/dbraw/zinc/07/72/82/428077282.db2.gz DACQMJDUIHIONR-AEFFLSMTSA-N 2 0 322.518 2.602 20 0 DFADRP C[C@H](CCCC(F)(F)F)[NH2+][C@H](C)CCN1CC[NH+](C)CC1 ZINC000359972781 428099235 /nfs/dbraw/zinc/09/92/35/428099235.db2.gz XUZJPVAOXDMPKJ-ZIAGYGMSSA-N 2 0 309.420 2.723 20 0 DFADRP Cc1cccc(C2CC([NH2+][C@@H](C)CCN3CC[NH+](C)CC3)C2)c1 ZINC000369972993 428100605 /nfs/dbraw/zinc/10/06/05/428100605.db2.gz JMGGOAYTPACMCK-KKXNLOMOSA-N 2 0 315.505 2.857 20 0 DFADRP CC(C)(C)[NH+]1CCC([NH2+]C[C@@H](O)CCc2ccccc2)CC1 ZINC000346282128 428106977 /nfs/dbraw/zinc/10/69/77/428106977.db2.gz VRYBNEJXABZLNK-SFHVURJKSA-N 2 0 304.478 2.833 20 0 DFADRP c1cnc2sc(CN3CC[C@H](C[NH+]4CCCCC4)C3)nc2c1 ZINC000341571792 428110932 /nfs/dbraw/zinc/11/09/32/428110932.db2.gz YMZGNAXGEVGCPS-CQSZACIVSA-N 2 0 316.474 2.999 20 0 DFADRP CC(C)[C@@H]1C[C@@H]([NH2+]C2CC[NH+](C[C@H]3CCOC3)CC2)CS1 ZINC000377388223 428118641 /nfs/dbraw/zinc/11/86/41/428118641.db2.gz XDXFXQCDJCKVMZ-OIISXLGYSA-N 2 0 312.523 2.607 20 0 DFADRP CC(C)[N@H+](C)Cc1ccccc1C[NH2+][C@@H]1CC[NH+](C)C[C@@H]1C ZINC000360051713 428134877 /nfs/dbraw/zinc/13/48/77/428134877.db2.gz GDIWWINELGFRIG-QFBILLFUSA-N 2 0 303.494 2.957 20 0 DFADRP CSC1(C[NH2+][C@H]2CS[C@@H](C(C)C)C2)CC[NH+](C)CC1 ZINC000356356359 428141160 /nfs/dbraw/zinc/14/11/60/428141160.db2.gz FDMLPLZXYRNGKW-ZIAGYGMSSA-N 2 0 302.553 2.934 20 0 DFADRP COC(=O)c1cccc(C[N@H+](CCC[NH3+])CC2CCCC2)c1 ZINC000352541552 428143077 /nfs/dbraw/zinc/14/30/77/428143077.db2.gz ZCVUBXSTXSDUAJ-UHFFFAOYSA-N 2 0 304.434 2.814 20 0 DFADRP C[C@H]1CCC[C@H]1CC(=O)N(CCC[NH+](C)C)CCC[NH+](C)C ZINC000346381074 428149584 /nfs/dbraw/zinc/14/95/84/428149584.db2.gz TVEJCCOOMJVPSO-IRXDYDNUSA-N 2 0 311.514 2.545 20 0 DFADRP CC(C)C(C[N@@H+]1CCC[C@H](CN2CC[NH+](C)CC2)C1)C(C)C ZINC000377623467 428176587 /nfs/dbraw/zinc/17/65/87/428176587.db2.gz JPZPLAZKSNJSFL-GOSISDBHSA-N 2 0 309.542 2.874 20 0 DFADRP CC1=CCC[C@@H](C)[C@H]1C[NH+]1CCC(C[NH+]2CCN(C)CC2)CC1 ZINC000377628943 428176939 /nfs/dbraw/zinc/17/69/39/428176939.db2.gz OYTILZSQKMYQOK-QUCCMNQESA-N 2 0 319.537 2.938 20 0 DFADRP C[C@H](C[NH+]1CCCCCC1)NC(=O)CC[C@@H]1CCCC[N@@H+]1C ZINC000356434522 428177908 /nfs/dbraw/zinc/17/79/08/428177908.db2.gz NZRAYBSIMOOPSB-SJORKVTESA-N 2 0 309.498 2.632 20 0 DFADRP OC[C@@H]1C[N@H+](CCC[NH+]2CCCC2)C[C@H]1c1ccc(Cl)cc1 ZINC000377715475 428205293 /nfs/dbraw/zinc/20/52/93/428205293.db2.gz FARIVKKCGHRZBB-WMZOPIPTSA-N 2 0 322.880 2.834 20 0 DFADRP COc1ccc([C@H](C)[NH2+][C@@H](C)CCN2CCOCC2)c(C)c1 ZINC000414106336 428208955 /nfs/dbraw/zinc/20/89/55/428208955.db2.gz XKEQPMVMAMEHJT-HOTGVXAUSA-N 2 0 306.450 2.765 20 0 DFADRP CC[C@H]([NH2+]Cc1ccc(C(=O)NCC[NH+](C)C)cc1)[C@@H]1C[C@@H]1C ZINC000414107836 428209090 /nfs/dbraw/zinc/20/90/90/428209090.db2.gz ZGLNBHWCDOKARE-QGTPRVQTSA-N 2 0 317.477 2.502 20 0 DFADRP CC(C)[NH2+]CCN1CCC[C@H]([N@H+](C)Cc2ccccc2)CC1 ZINC000370484573 428220436 /nfs/dbraw/zinc/22/04/36/428220436.db2.gz PEMVCIBJLFHXGF-IBGZPJMESA-N 2 0 303.494 2.971 20 0 DFADRP c1ccc(-c2cccc(C[NH+]3CCN([C@@H]4CC[NH2+]C4)CC3)c2)cc1 ZINC000352725394 428222388 /nfs/dbraw/zinc/22/23/88/428222388.db2.gz ZFWKBWJPZYRFJM-OAQYLSRUSA-N 2 0 321.468 2.833 20 0 DFADRP COC[C@@H]([NH2+]CC[C@@H]1CCC[N@H+](C)C1)c1ccc(F)c(F)c1 ZINC000414172297 428225260 /nfs/dbraw/zinc/22/52/60/428225260.db2.gz DSXYHHYSYSCNQB-SUMWQHHRSA-N 2 0 312.404 2.974 20 0 DFADRP COc1ccc(C[C@@H](C)[NH2+]Cc2ccc(C[NH+](C)C)cc2)cn1 ZINC000414053119 428193145 /nfs/dbraw/zinc/19/31/45/428193145.db2.gz AKFWSHRHTBUTKX-OAHLLOKOSA-N 2 0 313.445 2.873 20 0 DFADRP COc1ccc(C[C@@H](C)[NH2+]C[C@H](C)C[NH+]2CCCCC2)cn1 ZINC000414074793 428198800 /nfs/dbraw/zinc/19/88/00/428198800.db2.gz OOJSFZLLLUAAJN-JKSUJKDBSA-N 2 0 305.466 2.733 20 0 DFADRP COc1ccc(C[C@@H](C)[NH2+]C[C@@H](C)C[NH+]2CCCCC2)cn1 ZINC000414074791 428199010 /nfs/dbraw/zinc/19/90/10/428199010.db2.gz OOJSFZLLLUAAJN-HZPDHXFCSA-N 2 0 305.466 2.733 20 0 DFADRP COCC[N@H+](C)CCC[NH2+][C@@H]1C[C@@H](OC(C)(C)C)C1(C)C ZINC000414077032 428199156 /nfs/dbraw/zinc/19/91/56/428199156.db2.gz YRYWKYTZNYRLNA-HUUCEWRRSA-N 2 0 300.487 2.527 20 0 DFADRP C[C@H]1CCC[N@H+](CCCC[NH2+]Cc2ncc(CN(C)C)s2)C1 ZINC000352825602 428265465 /nfs/dbraw/zinc/26/54/65/428265465.db2.gz SRTLNMKARQMOFA-HNNXBMFYSA-N 2 0 324.538 2.806 20 0 DFADRP [NH3+]CCCOC1CC[NH+](Cc2cc3cc(F)ccc3o2)CC1 ZINC000346691988 428276759 /nfs/dbraw/zinc/27/67/59/428276759.db2.gz XGMAEXCMECJRHY-UHFFFAOYSA-N 2 0 306.381 2.902 20 0 DFADRP Cc1cccc(C[N@@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@H](C)C2)c1C ZINC000370707027 428277268 /nfs/dbraw/zinc/27/72/68/428277268.db2.gz NOCYSFVQCWNMTC-YLJYHZDGSA-N 2 0 315.505 2.761 20 0 DFADRP Cc1nn(Cc2ccccc2)c(C)c1C[N@H+]1CC[C@H]([C@H](C)[NH3+])C1 ZINC000346694765 428277414 /nfs/dbraw/zinc/27/74/14/428277414.db2.gz WBLPBCKIKDYQKR-KSSFIOAISA-N 2 0 312.461 2.717 20 0 DFADRP Cc1ccccc1[C@@H](C)[NH+]1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000370732876 428285838 /nfs/dbraw/zinc/28/58/38/428285838.db2.gz SJHLHRKJLSHNRW-MSOLQXFVSA-N 2 0 301.478 2.768 20 0 DFADRP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](CCCOCCc3ccccc3)C[C@@H]21 ZINC000342076566 428292066 /nfs/dbraw/zinc/29/20/66/428292066.db2.gz AKEJWFZNOVEKIK-CEXWTWQISA-N 2 0 302.462 2.695 20 0 DFADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]C[C@@H]2C[C@H](C)O[C@@H]2C)[C@@H](C)C1 ZINC000414261503 428244753 /nfs/dbraw/zinc/24/47/53/428244753.db2.gz GZBQNWKTTPWNTJ-JCECYMMASA-N 2 0 312.498 2.527 20 0 DFADRP CCCCOCCC[NH2+][C@@H]1CC[N@H+](C[C@H]2CCCO2)C[C@H]1C ZINC000370612697 428251985 /nfs/dbraw/zinc/25/19/85/428251985.db2.gz PVTNCUBCMZZVLK-KZNAEPCWSA-N 2 0 312.498 2.672 20 0 DFADRP CC(C)Cn1cc(C[N@@H+]2CC[C@H](C3CC[NH+](C)CC3)C2)cn1 ZINC000377883364 428253558 /nfs/dbraw/zinc/25/35/58/428253558.db2.gz JHPBNZPKUJDJIF-SFHVURJKSA-N 2 0 304.482 2.703 20 0 DFADRP Cc1ccc([C@@H](C)[NH2+][C@H]2CCN(C3CC[NH+](C)CC3)C2)s1 ZINC000370625425 428256524 /nfs/dbraw/zinc/25/65/24/428256524.db2.gz XSNHHIRFSJMKDK-CABCVRRESA-N 2 0 307.507 2.876 20 0 DFADRP Cc1nc(C)c([C@@H](C)[NH2+][C@H]2CCN(C3CC[NH+](C)CC3)C2)s1 ZINC000370632423 428258175 /nfs/dbraw/zinc/25/81/75/428258175.db2.gz APOICJJLBVHUPQ-HIFRSBDPSA-N 2 0 322.522 2.579 20 0 DFADRP C[C@@H]([NH2+][C@@H]1CCN(C2CC[NH+](C)CC2)C1)c1cc(F)cc(F)c1 ZINC000370636660 428259111 /nfs/dbraw/zinc/25/91/11/428259111.db2.gz SBIOSZOEDJSYPW-CXAGYDPISA-N 2 0 323.431 2.784 20 0 DFADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]C[C@H]2CCCCS2)[C@@H](C)C1 ZINC000346785691 428318269 /nfs/dbraw/zinc/31/82/69/428318269.db2.gz CXNIQYROECFKAW-BBWFWOEESA-N 2 0 314.539 2.999 20 0 DFADRP CCC(C)(C)[NH2+][C@@H](C)C(=O)N1CC[N@H+](C)CC12CCCCC2 ZINC000356822245 428324045 /nfs/dbraw/zinc/32/40/45/428324045.db2.gz SXIFFCICYHCBAK-HNNXBMFYSA-N 2 0 309.498 2.630 20 0 DFADRP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](Cc3cnc(-c4ccncc4)s3)C[C@@H]21 ZINC000346813362 428328160 /nfs/dbraw/zinc/32/81/60/428328160.db2.gz AVWYNGGVYYWVPB-VNQPRFMTSA-N 2 0 314.458 2.764 20 0 DFADRP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](Cc3cnn(-c4ccc(F)cc4)c3)C[C@@H]21 ZINC000346822159 428331786 /nfs/dbraw/zinc/33/17/86/428331786.db2.gz FGSXCJKECDOJNC-FHLIZLRMSA-N 2 0 314.408 2.571 20 0 DFADRP C[C@]1(C[NH2+][C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]23)CCOC1 ZINC000356840452 428334518 /nfs/dbraw/zinc/33/45/18/428334518.db2.gz FLTZJFRJZSOUGP-UAFMIMERSA-N 2 0 314.473 2.913 20 0 DFADRP [NH3+][C@@H]1CC[C@@H]2C[N@H+](Cc3cnn(-c4ccc(Cl)cc4)c3)C[C@H]12 ZINC000346832621 428336585 /nfs/dbraw/zinc/33/65/85/428336585.db2.gz LQBCJVSZERDMQT-XOKHGSTOSA-N 2 0 316.836 2.695 20 0 DFADRP CC[N@@H+]1CC[C@H](NCC(C)(C)C[NH+](C)Cc2ccccc2)C1 ZINC000414548647 428337753 /nfs/dbraw/zinc/33/77/53/428337753.db2.gz YBHFXHOHGUQTFF-SFHVURJKSA-N 2 0 303.494 2.828 20 0 DFADRP Cc1cccc(-c2n[nH]cc2C[N@@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)c1 ZINC000346833666 428337750 /nfs/dbraw/zinc/33/77/50/428337750.db2.gz MHKNMESRVSTDCX-CGTJXYLNSA-N 2 0 310.445 2.944 20 0 DFADRP CC[C@@H](C)C[NH2+]Cc1ccc(C[NH+]2CCC(C(N)=O)CC2)cc1 ZINC000414560676 428338656 /nfs/dbraw/zinc/33/86/56/428338656.db2.gz XLJDWOBUHZEFPK-OAHLLOKOSA-N 2 0 317.477 2.520 20 0 DFADRP Cn1cc(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)c(-c2ccccc2)n1 ZINC000346838364 428339294 /nfs/dbraw/zinc/33/92/94/428339294.db2.gz XBGVGBWUUKMSQP-RYQLBKOJSA-N 2 0 310.445 2.646 20 0 DFADRP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ccc(OC(F)F)c(F)c3)C[C@@H]21 ZINC000346839706 428339508 /nfs/dbraw/zinc/33/95/08/428339508.db2.gz SKLPZTATQHDYBP-MBNYWOFBSA-N 2 0 314.351 2.986 20 0 DFADRP [NH3+][C@@H]1CCC[C@H]2C[N@H+](Cc3ccc(Oc4cnccn4)cc3)C[C@H]21 ZINC000346839746 428339793 /nfs/dbraw/zinc/33/97/93/428339793.db2.gz SVUSKJODPMJGPB-CGTJXYLNSA-N 2 0 324.428 2.828 20 0 DFADRP C[C@H](Cn1ccnc1)[NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]12 ZINC000356858324 428339763 /nfs/dbraw/zinc/33/97/63/428339763.db2.gz XMHBDMBYEDPJSB-RSPOEFSDSA-N 2 0 324.472 2.772 20 0 DFADRP CC(C)[NH+]1CCN([C@@H]2CC[N@H+](CCCCC(F)(F)F)C2)CC1 ZINC000378243188 428345373 /nfs/dbraw/zinc/34/53/73/428345373.db2.gz GARIQZPZYKSGCS-OAHLLOKOSA-N 2 0 321.431 2.819 20 0 DFADRP c1ccc(-n2nc(CN3CC[C@]4(CC[NH2+]C4)C3)c3c2CCC3)cc1 ZINC000360566481 428353063 /nfs/dbraw/zinc/35/30/63/428353063.db2.gz ZNCNMDJRKMRLSH-FQEVSTJZSA-N 2 0 322.456 2.546 20 0 DFADRP Cc1cc(CN[C@@H]2c3ccccc3CC[C@@H]2n2ccnc2)nn1C ZINC000414448385 428301374 /nfs/dbraw/zinc/30/13/74/428301374.db2.gz ZPFFDWZLYMXWEH-RBUKOAKNSA-N 2 0 321.428 2.943 20 0 DFADRP Clc1ccc(-c2n[nH]cc2CN2CC[C@@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000357103881 428389886 /nfs/dbraw/zinc/38/98/86/428389886.db2.gz JSJXCBOTWMAFIU-KGLIPLIRSA-N 2 0 316.836 2.771 20 0 DFADRP CCOC(=O)C1CCC([N@H+](CC)C[C@@H]2CC[NH2+][C@@H](C)C2)CC1 ZINC000414747749 428392308 /nfs/dbraw/zinc/39/23/08/428392308.db2.gz SRJVEXROVMGFDK-NJINODPHSA-N 2 0 310.482 2.818 20 0 DFADRP Cc1cc(C[N@H+]2CCC[C@@H](CN3CC[NH+](C)CC3)C2)c(C)s1 ZINC000378431233 428394320 /nfs/dbraw/zinc/39/43/20/428394320.db2.gz FCZMQEZZUHRXHT-KRWDZBQOSA-N 2 0 321.534 2.824 20 0 DFADRP C[C@@H]1C[C@@H](C[N@@H+]2CCC[C@@H](c3ncc4n3CCCC4)C2)CC[NH2+]1 ZINC000414760903 428395651 /nfs/dbraw/zinc/39/56/51/428395651.db2.gz HWIDBFGOYFLGAD-IXDOHACOSA-N 2 0 316.493 2.787 20 0 DFADRP COCCC[N@H+](CCc1ccc(OC)cc1)C[C@H]1CCC[NH2+]C1 ZINC000346989565 428397399 /nfs/dbraw/zinc/39/73/99/428397399.db2.gz RVJICUACJBDCRL-SFHVURJKSA-N 2 0 320.477 2.576 20 0 DFADRP Cc1ccc(C[N@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)c(-c2cnn(C)c2)c1 ZINC000414764424 428398575 /nfs/dbraw/zinc/39/85/75/428398575.db2.gz DKCXWPQPJHCMAH-CALCHBBNSA-N 2 0 324.472 2.827 20 0 DFADRP Cc1nn(-c2ccccc2)c(C)c1C[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000414763534 428398622 /nfs/dbraw/zinc/39/86/22/428398622.db2.gz CAXHGPWZINTCSS-HDICACEKSA-N 2 0 324.472 2.921 20 0 DFADRP c1cn(-c2csc(C[N@@H+]3CCC[C@H]([C@H]4CC[NH2+]C4)C3)c2)cn1 ZINC000414774680 428400523 /nfs/dbraw/zinc/40/05/23/428400523.db2.gz FSGXTIAZKHZKAC-GJZGRUSLSA-N 2 0 316.474 2.755 20 0 DFADRP Cc1ccc(C[N@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)c(-c2ccnn2C)c1 ZINC000414774994 428401625 /nfs/dbraw/zinc/40/16/25/428401625.db2.gz ZAIGGLSZQWRPPO-CALCHBBNSA-N 2 0 324.472 2.827 20 0 DFADRP C[C@H]1CC[C@H]1[NH2+]Cc1c(Cl)cccc1N1CC[NH+](C)CC1 ZINC000353146541 428402320 /nfs/dbraw/zinc/40/23/20/428402320.db2.gz XZFGZNDHFMDGNS-XJKSGUPXSA-N 2 0 307.869 2.980 20 0 DFADRP CC(C)([NH3+])CN1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000346998923 428403390 /nfs/dbraw/zinc/40/33/90/428403390.db2.gz YMQNIQSUQNONAV-MSOLQXFVSA-N 2 0 301.478 2.710 20 0 DFADRP c1cn(Cc2ccccc2)c(C[N@@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)n1 ZINC000414775791 428405125 /nfs/dbraw/zinc/40/51/25/428405125.db2.gz GWJKOQWGAAHAFH-MOPGFXCFSA-N 2 0 324.472 2.753 20 0 DFADRP c1nn(Cc2ccccc2)cc1C[N@@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000414780639 428405211 /nfs/dbraw/zinc/40/52/11/428405211.db2.gz LUKJVLCUHONJQC-VQTJNVASSA-N 2 0 324.472 2.753 20 0 DFADRP CCOc1cc(C[N@@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)ccc1OC ZINC000414783260 428406804 /nfs/dbraw/zinc/40/68/04/428406804.db2.gz PSHVSCSLGGGFEL-DLBZAZTESA-N 2 0 318.461 2.915 20 0 DFADRP Brc1cncc(C[N@@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)c1 ZINC000414786649 428410568 /nfs/dbraw/zinc/41/05/68/428410568.db2.gz UQUJKGTWFWEKNA-ZIAGYGMSSA-N 2 0 324.266 2.666 20 0 DFADRP c1cn(-c2ccccc2)nc1C[N@@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000414787738 428410864 /nfs/dbraw/zinc/41/08/64/428410864.db2.gz VXWFQVAMNWDGGE-IAGOWNOFSA-N 2 0 310.445 2.694 20 0 DFADRP c1[nH]nc(-c2ccccc2)c1C[N@@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000414789760 428410986 /nfs/dbraw/zinc/41/09/86/428410986.db2.gz YWMVEBRSIVIUMJ-IAGOWNOFSA-N 2 0 310.445 2.898 20 0 DFADRP Brc1ccc(C[N@@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)nc1 ZINC000414785740 428411000 /nfs/dbraw/zinc/41/10/00/428411000.db2.gz TVTFQRDGLMIDQU-OLZOCXBDSA-N 2 0 324.266 2.666 20 0 DFADRP COc1sc(C[NH2+][C@@H]2CCC[C@H]2C[NH3+])cc1Br ZINC000414792005 428412030 /nfs/dbraw/zinc/41/20/30/428412030.db2.gz BUDYUGGIJGAHCB-GZMMTYOYSA-N 2 0 319.268 2.736 20 0 DFADRP CN(C)c1ccncc1C[NH2+]CCc1ccc(F)c(F)c1F ZINC000353165641 428412169 /nfs/dbraw/zinc/41/21/69/428412169.db2.gz IKBHIPRVSLLPLJ-UHFFFAOYSA-N 2 0 309.335 2.897 20 0 DFADRP [NH3+][C@@H]1CCO[C@H]1C1CC[NH+](Cc2ccc3c(c2)CCC3)CC1 ZINC000414792849 428412729 /nfs/dbraw/zinc/41/27/29/428412729.db2.gz SXBBEFJKTCPRQP-MOPGFXCFSA-N 2 0 300.446 2.504 20 0 DFADRP Cc1cc(N2CC[NH+]([C@@H]3CCOC3)CC2)c2cc(F)ccc2[nH+]1 ZINC000371105346 428358768 /nfs/dbraw/zinc/35/87/68/428358768.db2.gz BYFPKOMNVOVEMV-OAHLLOKOSA-N 2 0 315.392 2.593 20 0 DFADRP C[N@@H+]1CC[C@H](Nc2ncnc3[nH]ccc32)[C@@H]1c1ccc(F)cc1 ZINC000371107765 428361695 /nfs/dbraw/zinc/36/16/95/428361695.db2.gz PMSXZKQJQLYVRX-GJZGRUSLSA-N 2 0 311.364 2.954 20 0 DFADRP CCC[NH+]1CCN(C2CC[NH+](Cc3ccc(C)o3)CC2)CC1 ZINC000378341793 428367609 /nfs/dbraw/zinc/36/76/09/428367609.db2.gz MASBTWGIKQVGAQ-UHFFFAOYSA-N 2 0 305.466 2.580 20 0 DFADRP CC(C)C[C@H]([NH3+])CN(C)[C@H](C)c1ccc(-n2cncn2)cc1 ZINC000414673101 428369882 /nfs/dbraw/zinc/36/98/82/428369882.db2.gz QFXKXEPMCDTBCO-ZBFHGGJFSA-N 2 0 301.438 2.634 20 0 DFADRP C[C@H](c1ccccc1Cl)[N@H+](C)C[C@H]1CCCN(C(=O)C[NH3+])C1 ZINC000414669071 428371520 /nfs/dbraw/zinc/37/15/20/428371520.db2.gz BEMTXNBNZNYQFL-ZIAGYGMSSA-N 2 0 323.868 2.530 20 0 DFADRP CC(C)[NH+](CCN(C)C(=O)[C@H](C)[N@H+]1[C@H](C)CC[C@@H]1C)C(C)C ZINC000357048312 428371877 /nfs/dbraw/zinc/37/18/77/428371877.db2.gz CTPYNXKVBBRWTE-BBWFWOEESA-N 2 0 311.514 2.825 20 0 DFADRP CC(C)C[C@H]([NH3+])CN1CCC(C(=O)Nc2ccccc2)CC1 ZINC000414681433 428372860 /nfs/dbraw/zinc/37/28/60/428372860.db2.gz PEYWWLXJYFIDFI-INIZCTEOSA-N 2 0 303.450 2.711 20 0 DFADRP CC[C@@H](C[NH2+]Cc1ccccc1N(C)C1CC[NH+](C)CC1)OC ZINC000353077206 428376468 /nfs/dbraw/zinc/37/64/68/428376468.db2.gz DTENEAAGQDZDHK-SFHVURJKSA-N 2 0 319.493 2.732 20 0 DFADRP C[C@@H]1C[C@H](C[N@@H+]2CCCC[C@H]2c2nnc3n2CCCC3)CC[NH2+]1 ZINC000414690481 428376400 /nfs/dbraw/zinc/37/64/00/428376400.db2.gz IDXSDSILHSAVJW-OAGGEKHMSA-N 2 0 317.481 2.530 20 0 DFADRP Cc1ccccc1CN1CC[NH+](C[C@H]2CC[NH2+][C@@H](C)C2)CC1 ZINC000414684451 428377386 /nfs/dbraw/zinc/37/73/86/428377386.db2.gz VSHXEXCOUJJUMX-ROUUACIJSA-N 2 0 301.478 2.501 20 0 DFADRP CC(C)[C@@H](c1ccccc1)[N@H+](C)C[C@H]1CCCN(C(=O)C[NH3+])C1 ZINC000414688521 428377483 /nfs/dbraw/zinc/37/74/83/428377483.db2.gz DRDYLJGNVNKWLP-APWZRJJASA-N 2 0 317.477 2.513 20 0 DFADRP C[C@@H]1C[C@H](C[N@H+](CCCO)[C@@H]2CCc3ccccc32)CC[NH2+]1 ZINC000414688007 428377500 /nfs/dbraw/zinc/37/75/00/428377500.db2.gz CYCXRZQNPFGDKJ-GPMSIDNRSA-N 2 0 302.462 2.746 20 0 DFADRP C[C@@H]1C[N@H+](CCCCC(F)(F)F)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000371301051 428383086 /nfs/dbraw/zinc/38/30/86/428383086.db2.gz CWZANTKCSRPXML-CABCVRRESA-N 2 0 321.431 2.677 20 0 DFADRP CC[N@H+](C[C@@H]1CC[NH2+][C@@H](C)C1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000414714463 428383989 /nfs/dbraw/zinc/38/39/89/428383989.db2.gz PUDBVPMYFLIXIC-DFQSSKMNSA-N 2 0 315.505 2.971 20 0 DFADRP C[NH2+]CCNC(=O)Nc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000414719558 428384808 /nfs/dbraw/zinc/38/48/08/428384808.db2.gz YVAHDYSBDPRJMG-UHFFFAOYSA-N 2 0 318.465 2.792 20 0 DFADRP Cc1cccc(NC(=O)[C@H](C)[NH+]2CCC([C@H]3CC[NH2+]C3)CC2)c1 ZINC000357092787 428385233 /nfs/dbraw/zinc/38/52/33/428385233.db2.gz XMPLJOPBJJWTRS-RDJZCZTQSA-N 2 0 315.461 2.644 20 0 DFADRP Oc1ccc(Br)c(C[NH2+]CC[C@@H]2CCC[NH2+]C2)c1 ZINC000414857021 428434823 /nfs/dbraw/zinc/43/48/23/428434823.db2.gz ZMQGXYFNQUVBJT-NSHDSACASA-N 2 0 313.239 2.634 20 0 DFADRP C[N@H+](Cc1ccccc1)CC(C)(C)CN1CCC[C@@H](C[NH3+])C1 ZINC000347083970 428436084 /nfs/dbraw/zinc/43/60/84/428436084.db2.gz ZTLSTJPQKQKTLI-SFHVURJKSA-N 2 0 303.494 2.815 20 0 DFADRP Clc1ccccc1C[NH+]1CCC(N[C@@H]2CCC[NH2+]C2)CC1 ZINC000414861088 428436137 /nfs/dbraw/zinc/43/61/37/428436137.db2.gz DXHOYUGFHZPUAY-MRXNPFEDSA-N 2 0 307.869 2.646 20 0 DFADRP CC(=O)Nc1ccccc1C[NH+]1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000347086908 428438670 /nfs/dbraw/zinc/43/86/70/428438670.db2.gz CXKGDCIVZITBDH-KRWDZBQOSA-N 2 0 301.434 2.609 20 0 DFADRP COc1ccc(CN2C[C@@H]3C[N@@H+]4CCCC[C@H]4[C@H]3C2)cc1OC ZINC000360791965 428439851 /nfs/dbraw/zinc/43/98/51/428439851.db2.gz RGWIJKYZONTDPO-IKGGRYGDSA-N 2 0 316.445 2.620 20 0 DFADRP CCOC(=O)[C@@H](CC(C)C)N1CC[C@@H](Oc2ccncc2)C1 ZINC000347088801 428440497 /nfs/dbraw/zinc/44/04/97/428440497.db2.gz NHMFEAJLZFWLFD-HZPDHXFCSA-N 2 0 306.406 2.513 20 0 DFADRP C[C@@H]([NH3+])c1ccc(NC(=O)c2ccc3c(c2)CC[NH2+]CC3)cc1 ZINC000353229450 428441237 /nfs/dbraw/zinc/44/12/37/428441237.db2.gz XEQSPHWWSAHFQG-CYBMUJFWSA-N 2 0 309.413 2.647 20 0 DFADRP C[C@H](CCN1CCOCC1)[NH2+][C@H](C)C1CCC(F)(F)CC1 ZINC000353237135 428442988 /nfs/dbraw/zinc/44/29/88/428442988.db2.gz RVDHHNQLKGQNOY-ZIAGYGMSSA-N 2 0 304.425 2.901 20 0 DFADRP C[C@@H]([NH3+])[C@@H]1CCCN(Cc2cnc(-c3ccccn3)s2)C1 ZINC000347104033 428446585 /nfs/dbraw/zinc/44/65/85/428446585.db2.gz KWKIOLLQLDONJM-CHWSQXEVSA-N 2 0 302.447 2.764 20 0 DFADRP O=C(C[C@H]1CCC[NH2+]CC1)NCCCCC[NH+]1CCCCC1 ZINC000372415297 428447322 /nfs/dbraw/zinc/44/73/22/428447322.db2.gz GDDJSJMTDJPCJX-KRWDZBQOSA-N 2 0 309.498 2.539 20 0 DFADRP Cc1ccc(C[NH2+]C[C@@]2(C)CCC[NH2+]C2)c(-c2cnn(C)c2)c1 ZINC000414901332 428448727 /nfs/dbraw/zinc/44/87/27/428448727.db2.gz FVVFGXRILUHXBN-IBGZPJMESA-N 2 0 312.461 2.875 20 0 DFADRP C[N@H+](Cc1cc(-n2ccnc2)cs1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000347109433 428449442 /nfs/dbraw/zinc/44/94/42/428449442.db2.gz NKBBUWRSVAISHV-PBWFPOADSA-N 2 0 302.447 2.649 20 0 DFADRP C[C@H](c1ccccc1)N1CC[C@H]([NH2+]CC2(C)CC[NH2+]CC2)C1 ZINC000414896624 428450163 /nfs/dbraw/zinc/45/01/63/428450163.db2.gz CIXTVKLBNSSTAS-AEFFLSMTSA-N 2 0 301.478 2.801 20 0 DFADRP C[NH+](C)CC1CCC([NH2+]Cc2cnc(C(C)(C)C)nc2)CC1 ZINC000342770386 428450144 /nfs/dbraw/zinc/45/01/44/428450144.db2.gz WSNWDIGULJXTRG-UHFFFAOYSA-N 2 0 304.482 2.984 20 0 DFADRP COc1cc(C[NH2+]CC2(C)CC[NH2+]CC2)c(SC)cc1OC ZINC000414906010 428452039 /nfs/dbraw/zinc/45/20/39/428452039.db2.gz PLUATSNGANWAKI-UHFFFAOYSA-N 2 0 324.490 2.905 20 0 DFADRP C[C@H](CC(=O)Nc1ccc(F)cc1)[NH2+]C[C@@]1(C)CCC[NH2+]C1 ZINC000414906555 428452053 /nfs/dbraw/zinc/45/20/53/428452053.db2.gz MGXNWSSVSXUQCS-DYVFJYSZSA-N 2 0 307.413 2.522 20 0 DFADRP CCc1ccccc1NC(=O)C[C@@H](C)[NH2+]C[C@@]1(C)CCC[NH2+]C1 ZINC000414902212 428452732 /nfs/dbraw/zinc/45/27/32/428452732.db2.gz GWDDRAPWMQJBNM-BEFAXECRSA-N 2 0 317.477 2.945 20 0 DFADRP c1nc([C@H]2CCCO2)sc1C[NH+]1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000347120333 428455641 /nfs/dbraw/zinc/45/56/41/428455641.db2.gz VQNUUMYEKVRFSK-JKSUJKDBSA-N 2 0 321.490 2.959 20 0 DFADRP Cc1cc(Cl)ccc1NC(=O)C[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000390200657 428470638 /nfs/dbraw/zinc/47/06/38/428470638.db2.gz VQCYRTJSSXVWAP-OKILXGFUSA-N 2 0 321.852 2.518 20 0 DFADRP Cc1ccc(Cl)cc1NC(=O)C[C@H](C)[NH2+]C[C@H]1CC[NH2+]C1 ZINC000414917021 428457554 /nfs/dbraw/zinc/45/75/54/428457554.db2.gz QUVCRQNXZVSAIC-STQMWFEESA-N 2 0 309.841 2.565 20 0 DFADRP CC(C)[N@H+](C)C[C@H](O)C[NH+](Cc1ccccc1)[C@@H](C)C1CC1 ZINC000385379659 428459220 /nfs/dbraw/zinc/45/92/20/428459220.db2.gz ZCMHYYPRHSNSBS-LPHOPBHVSA-N 2 0 304.478 2.988 20 0 DFADRP C[C@@H]1CC[NH2+]C[C@@H]1N[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000414925369 428459235 /nfs/dbraw/zinc/45/92/35/428459235.db2.gz JMYCNDSUAAGHTJ-FPAYPSAMSA-N 2 0 301.478 2.627 20 0 DFADRP [NH3+][C@H]1CCC[C@H]([NH2+]Cc2ccccc2OCC(F)(F)F)C1 ZINC000414930028 428459832 /nfs/dbraw/zinc/45/98/32/428459832.db2.gz SCQLTHNRTUEINI-STQMWFEESA-N 2 0 302.340 2.987 20 0 DFADRP [NH3+][C@@H]1CCC[C@@H]([NH2+]Cc2ccc(Br)c(F)c2)C1 ZINC000414931447 428461285 /nfs/dbraw/zinc/46/12/85/428461285.db2.gz UQIAGAHRRWVGSU-GHMZBOCLSA-N 2 0 301.203 2.948 20 0 DFADRP COc1cc(C)c(C[NH+]2CCC([C@@H]3CCC[NH2+]3)CC2)c(C)n1 ZINC000347136123 428463577 /nfs/dbraw/zinc/46/35/77/428463577.db2.gz UABUPNOKSUQEKC-KRWDZBQOSA-N 2 0 303.450 2.671 20 0 DFADRP CN(C(=O)CCC(C)(C)[NH3+])[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000388557238 428464577 /nfs/dbraw/zinc/46/45/77/428464577.db2.gz YJXTYJLCTQRYTF-KRWDZBQOSA-N 2 0 317.477 2.627 20 0 DFADRP C[C@@H]1C[C@@H](NCC(C)(C)C[N@H+](C)Cc2ccccc2)CC[NH2+]1 ZINC000414942485 428465682 /nfs/dbraw/zinc/46/56/82/428465682.db2.gz DNYNJNSNJZQAHO-AEFFLSMTSA-N 2 0 303.494 2.875 20 0 DFADRP CC[NH+](CC)Cc1cccc(NC(=O)[C@H]2CCC[C@@H]2C[NH3+])c1 ZINC000388063073 428466371 /nfs/dbraw/zinc/46/63/71/428466371.db2.gz MLVKLFOINZDWMO-WBVHZDCISA-N 2 0 303.450 2.842 20 0 DFADRP C[C@H]1C[C@H](NC2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)CC[NH2+]1 ZINC000414942922 428467174 /nfs/dbraw/zinc/46/71/74/428467174.db2.gz DUCKBAVCGUYBNY-NTHMGXEOSA-N 2 0 313.489 2.912 20 0 DFADRP C[C@@H]1C[NH2+]CC[C@@H]1NCC(C)(C)C[N@H+](C)Cc1ccccc1 ZINC000414950722 428467891 /nfs/dbraw/zinc/46/78/91/428467891.db2.gz GJRAGSWLFOQCMY-AEFFLSMTSA-N 2 0 303.494 2.732 20 0 DFADRP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+]1CC[C@]2(C1)CCCOC2 ZINC000342844851 428469340 /nfs/dbraw/zinc/46/93/40/428469340.db2.gz VBCWDMDGAZJDRP-SFHVURJKSA-N 2 0 312.417 2.578 20 0 DFADRP COc1cc(C[NH2+]Cc2ccc([C@H](C)[NH3+])cc2)cc2c1OCO2 ZINC000414802480 428416502 /nfs/dbraw/zinc/41/65/02/428416502.db2.gz BRFADLVMZTZEAB-LBPRGKRZSA-N 2 0 314.385 2.733 20 0 DFADRP Cc1nn2c(C[NH2+]Cc3ccc([C@@H](C)[NH3+])cc3)c(C)nc2s1 ZINC000414808545 428418668 /nfs/dbraw/zinc/41/86/68/428418668.db2.gz KYIPOBSNVQNASQ-SNVBAGLBSA-N 2 0 315.446 2.717 20 0 DFADRP C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)[C@@]12C[NH2+]C[C@@H]1CCCC2 ZINC000357172557 428418994 /nfs/dbraw/zinc/41/89/94/428418994.db2.gz IMDNRSFULBGEIZ-AOIWGVFYSA-N 2 0 321.509 2.537 20 0 DFADRP Cc1ccc(NC(=O)C[C@H](C)[NH2+][C@H]2CC[NH2+]C[C@@H]2C)c(C)c1 ZINC000414948157 428469741 /nfs/dbraw/zinc/46/97/41/428469741.db2.gz XUCWMYLCZWUFPS-ZOBUZTSGSA-N 2 0 303.450 2.608 20 0 DFADRP C[C@H](Cc1ccc(Br)cc1F)[NH2+]CC(C)(C)[NH3+] ZINC000414811315 428419978 /nfs/dbraw/zinc/41/99/78/428419978.db2.gz ZFGSRIJFUSLHNX-SECBINFHSA-N 2 0 303.219 2.846 20 0 DFADRP C[C@H]([NH3+])CC[NH2+]Cc1cn(-c2ccccc2)nc1C(C)(C)C ZINC000414818655 428421027 /nfs/dbraw/zinc/42/10/27/428421027.db2.gz FQDLEJOTVFKBOK-AWEZNQCLSA-N 2 0 300.450 2.997 20 0 DFADRP Cc1nn(-c2ccc(F)cc2F)c(C)c1C[NH2+]CC[C@@H](C)[NH3+] ZINC000414820912 428421453 /nfs/dbraw/zinc/42/14/53/428421453.db2.gz KLHCNHBNFULTCH-SNVBAGLBSA-N 2 0 308.376 2.594 20 0 DFADRP C[N@H+](CC[C@@H]1CCC[NH+]1C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000378547892 428424623 /nfs/dbraw/zinc/42/46/23/428424623.db2.gz JLFDBFKLKQPWSP-SFHVURJKSA-N 3 0 316.493 2.714 20 0 DFADRP FC(F)(F)CCN1CCC([NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000378553126 428425501 /nfs/dbraw/zinc/42/55/01/428425501.db2.gz SDEBEJOXBNFSRY-HUUCEWRRSA-N 2 0 319.415 2.620 20 0 DFADRP C[NH2+]C[C@@H](C)C[NH2+]Cc1ccc(-n2cnc3ccccc32)cc1 ZINC000414831221 428426456 /nfs/dbraw/zinc/42/64/56/428426456.db2.gz CSUQKZQDGWUJNL-OAHLLOKOSA-N 2 0 308.429 2.971 20 0 DFADRP CCN(CC)c1ncc(CN[C@H](C[NH3+])C2CCCCC2)s1 ZINC000414835719 428426603 /nfs/dbraw/zinc/42/66/03/428426603.db2.gz HPABDISPPOWXMF-OAHLLOKOSA-N 2 0 310.511 2.987 20 0 DFADRP Cc1cccc(NC(=O)C[C@@H](C)[NH2+]C[C@H]2CCC[NH2+]C2)c1C ZINC000414841044 428429031 /nfs/dbraw/zinc/42/90/31/428429031.db2.gz YUCBOFGDNFDRBR-ZBFHGGJFSA-N 2 0 303.450 2.610 20 0 DFADRP C[NH2+]C[C@H](C)C[NH2+][C@H](C)CC(=O)Nc1ccc(C)cc1Cl ZINC000414844440 428429166 /nfs/dbraw/zinc/42/91/66/428429166.db2.gz RJDXRSUSSAOSSO-QWHCGFSZSA-N 2 0 311.857 2.811 20 0 DFADRP CC(C)[N@@H+]1CCc2nc(CNCC3([NH3+])CCCCC3)sc2C1 ZINC000414843437 428429528 /nfs/dbraw/zinc/42/95/28/428429528.db2.gz OCWCLZAXIWKWPC-UHFFFAOYSA-N 2 0 322.522 2.661 20 0 DFADRP C[C@H]([NH2+]CC1(CO)CCC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000372336088 428429962 /nfs/dbraw/zinc/42/99/62/428429962.db2.gz CXMNZHRPRWOKGO-WMZOPIPTSA-N 2 0 302.462 2.649 20 0 DFADRP COc1ccc(C[NH2+]CC[C@H]2CC[NH2+]C2)cc1OCC(C)C ZINC000414840963 428430321 /nfs/dbraw/zinc/43/03/21/428430321.db2.gz XMLUEVUCDVRAKE-OAHLLOKOSA-N 2 0 306.450 2.819 20 0 DFADRP COc1cccc(NC(=O)C[C@H](C)[NH2+]CC2([NH3+])CCCCC2)c1 ZINC000414841218 428430342 /nfs/dbraw/zinc/43/03/42/428430342.db2.gz LDZDFLMLHQHYLP-AWEZNQCLSA-N 2 0 319.449 2.664 20 0 DFADRP CC[C@H]([NH3+])C[NH2+][C@H](C)CC(=O)Nc1ccccc1C(F)(F)F ZINC000414983998 428479453 /nfs/dbraw/zinc/47/94/53/428479453.db2.gz FNOQCXQHRSVSMA-MNOVXSKESA-N 2 0 317.355 2.749 20 0 DFADRP COc1cc(C[NH2+]C[C@@H]2CCC[C@H]([NH3+])C2)cc(Cl)c1OC ZINC000414986949 428480015 /nfs/dbraw/zinc/48/00/15/428480015.db2.gz CXRMMTJWRCQXFT-YPMHNXCESA-N 2 0 312.841 2.964 20 0 DFADRP C[NH2+][C@H](C)CN[C@H](C)Cc1ccc(Br)c(F)c1 ZINC000414991580 428483681 /nfs/dbraw/zinc/48/36/81/428483681.db2.gz SMPWUUZIIOEEJW-NXEZZACHSA-N 2 0 303.219 2.717 20 0 DFADRP C[C@@H]1CCC[C@@H]([NH+]2CCC(N[C@H]3C[NH2+]CCC3(F)F)CC2)C1 ZINC000414991131 428483702 /nfs/dbraw/zinc/48/37/02/428483702.db2.gz AJUAGSUUMYUDCJ-BMFZPTHFSA-N 2 0 315.452 2.616 20 0 DFADRP C[C@@H](O)C[N@H+](C)C1CC[NH+](C[C@@H](C)Cc2ccccc2)CC1 ZINC000360897335 428483743 /nfs/dbraw/zinc/48/37/43/428483743.db2.gz MAYSDQYRWKIVCX-DLBZAZTESA-N 2 0 304.478 2.642 20 0 DFADRP COCC[C@@H](Cc1cccc(F)c1)[NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000415000360 428484134 /nfs/dbraw/zinc/48/41/34/428484134.db2.gz AUCWOPOMDSMKQV-GBESFXJTSA-N 2 0 320.452 2.751 20 0 DFADRP C[C@@H]1CN(Cc2ccccc2)C[C@@H]1[NH2+]C[C@@H]1CCC[C@H]([NH3+])C1 ZINC000415000043 428485575 /nfs/dbraw/zinc/48/55/75/428485575.db2.gz JVDHIEPCDODRSK-YSHGAJCASA-N 3 0 301.478 2.614 20 0 DFADRP CC(C)N1CCc2nc(C[NH2+]C[C@H]3CCC[C@H]([NH3+])C3)sc2C1 ZINC000415002331 428485956 /nfs/dbraw/zinc/48/59/56/428485956.db2.gz MBUBKHUVTGAQRK-KBPBESRZSA-N 2 0 322.522 2.517 20 0 DFADRP [NH3+][C@@H]1CCC[C@H](C[NH2+]Cc2cccc(O)c2Br)C1 ZINC000415003517 428486282 /nfs/dbraw/zinc/48/62/82/428486282.db2.gz NFUGXXULMJGWSA-CMPLNLGQSA-N 2 0 313.239 2.762 20 0 DFADRP Fc1ccc2nc(C[NH2+][C@@H]3C[C@H]3C3CC[NH2+]CC3)sc2c1 ZINC000415004321 428486310 /nfs/dbraw/zinc/48/63/10/428486310.db2.gz HNTUTAJYUMYJQE-GXTWGEPZSA-N 2 0 305.422 2.913 20 0 DFADRP Cn1c2cc(Cl)ccc2nc1C[NH2+]C[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000414998171 428486336 /nfs/dbraw/zinc/48/63/36/428486336.db2.gz IAFPZAUJAUTDRE-DGCLKSJQSA-N 2 0 306.841 2.834 20 0 DFADRP Cc1nn(Cc2ccccc2)c(C)c1C[N@@H+]1CCC[C@@H](C[NH3+])C1 ZINC000347186312 428487056 /nfs/dbraw/zinc/48/70/56/428487056.db2.gz ZYKGFTRZFCBUJO-SFHVURJKSA-N 2 0 312.461 2.719 20 0 DFADRP Cn1c(C[NH2+][C@@H]2C[C@H]2C2CC[NH2+]CC2)nc2ccc(Cl)cc21 ZINC000415005701 428487573 /nfs/dbraw/zinc/48/75/73/428487573.db2.gz JMEYMKFLDNQNRY-DZGCQCFKSA-N 2 0 318.852 2.704 20 0 DFADRP CCC[N@H+](CC(=O)N1CCN(C)CC1)[C@@H](CC)c1ccccc1 ZINC000357337751 428488918 /nfs/dbraw/zinc/48/89/18/428488918.db2.gz VRWYMMUSZCNXDV-SFHVURJKSA-N 2 0 317.477 2.624 20 0 DFADRP CC(C)(CCC[NH3+])[NH2+]Cc1cc2c(cc1OC(F)F)OCO2 ZINC000415017218 428490887 /nfs/dbraw/zinc/49/08/87/428490887.db2.gz RNUCEZUTLUHJSD-UHFFFAOYSA-N 2 0 316.348 2.624 20 0 DFADRP [NH3+]C[C@H]1CC[C@H]([NH2+]Cc2ccc(F)c(Br)c2)C1 ZINC000415028078 428492896 /nfs/dbraw/zinc/49/28/96/428492896.db2.gz CDSWMUSUTOVECT-ONGXEEELSA-N 2 0 301.203 2.805 20 0 DFADRP [NH3+]C[C@H]1CC[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC000415028130 428493949 /nfs/dbraw/zinc/49/39/49/428493949.db2.gz CGQGNQZLJCDPNL-WSCSCYJOSA-N 3 0 313.489 2.899 20 0 DFADRP [NH3+]C[C@H]1CC[C@@H]([NH2+]Cc2ccc(OCC(F)(F)F)cc2)C1 ZINC000415037449 428494804 /nfs/dbraw/zinc/49/48/04/428494804.db2.gz MKIYHPNLAFLXRK-QWHCGFSZSA-N 2 0 302.340 2.845 20 0 DFADRP COc1c(Br)cccc1C[NH2+][C@@H]1CC[C@@H](C[NH3+])C1 ZINC000415035573 428494824 /nfs/dbraw/zinc/49/48/24/428494824.db2.gz KWCHIHQLPZZNHB-ZYHUDNBSSA-N 2 0 313.239 2.675 20 0 DFADRP [NH3+]C[C@@H]1CC[C@H]([NH2+]Cc2cc(F)ccc2Br)C1 ZINC000415037897 428495212 /nfs/dbraw/zinc/49/52/12/428495212.db2.gz MTRGKJUQEQTUGM-SKDRFNHKSA-N 2 0 301.203 2.805 20 0 DFADRP CCc1nn(C)c(CC)c1C[N@@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000415037620 428495687 /nfs/dbraw/zinc/49/56/87/428495687.db2.gz GWIYWSBUUGKYPW-KBXCAEBGSA-N 2 0 304.482 2.509 20 0 DFADRP C[C@@H]1C[C@H]([NH2+]C[C@H]2C[NH2+]CCCO2)C[C@@H](c2ccccc2)C1 ZINC000415041577 428497502 /nfs/dbraw/zinc/49/75/02/428497502.db2.gz PMVGKYFICYGNNJ-DSLXNQLJSA-N 2 0 302.462 2.927 20 0 DFADRP C[C@@H](C[NH2+]C[C@H]1C[NH2+]CCCO1)c1ccc(C(F)(F)F)cc1 ZINC000415047666 428498156 /nfs/dbraw/zinc/49/81/56/428498156.db2.gz WBFOIDMKKTUUNT-SWLSCSKDSA-N 2 0 316.367 2.777 20 0 DFADRP [NH3+]C[C@@H]1CC[C@H]([NH2+]Cc2cccc(OCc3ccccn3)c2)C1 ZINC000415043893 428498311 /nfs/dbraw/zinc/49/83/11/428498311.db2.gz SEPBTUZVNKEDKO-WBVHZDCISA-N 2 0 311.429 2.878 20 0 DFADRP CCOc1c(Cl)cc(C[NH2+][C@@H]2CC[C@H](C[NH3+])C2)cc1OC ZINC000415047350 428498469 /nfs/dbraw/zinc/49/84/69/428498469.db2.gz VXJNTWADBSFFJN-WCQYABFASA-N 2 0 312.841 2.964 20 0 DFADRP CC[C@H](C[NH2+]C1CCC([NH+]2CCNCC2)CC1)c1ccccc1 ZINC000415044246 428498646 /nfs/dbraw/zinc/49/86/46/428498646.db2.gz ASNRJCCCTUWKKV-QHGAOEGBSA-N 2 0 315.505 2.986 20 0 DFADRP O=c1[nH]c2ccccc2cc1C[N@@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000415053657 428500708 /nfs/dbraw/zinc/50/07/08/428500708.db2.gz OZCYIRZPEAMJJY-QAPCUYQASA-N 2 0 311.429 2.904 20 0 DFADRP C[N@H+](Cc1ccc(C(F)(F)F)cc1)C1CCN(CCO)CC1 ZINC000353358841 428501234 /nfs/dbraw/zinc/50/12/34/428501234.db2.gz YWKPFDGKLOMSRQ-UHFFFAOYSA-N 2 0 316.367 2.594 20 0 DFADRP COc1c(O)cccc1C[NH2+][C@H](CCC[NH3+])c1ccccc1 ZINC000415048095 428501394 /nfs/dbraw/zinc/50/13/94/428501394.db2.gz FOHBHTPRRKROMI-MRXNPFEDSA-N 2 0 300.402 2.971 20 0 DFADRP C[C@@H](CCc1ccccc1)[NH2+]C1CCC([NH+]2CCNCC2)CC1 ZINC000415058499 428504853 /nfs/dbraw/zinc/50/48/53/428504853.db2.gz SZYPWQLMIHSQSN-KKXNLOMOSA-N 2 0 315.505 2.814 20 0 DFADRP [NH3+]CC[C@@H]1CCCCN1C(=O)c1ccc(Nc2cc[nH+]cc2)cc1 ZINC000357377278 428507574 /nfs/dbraw/zinc/50/75/74/428507574.db2.gz PAIYBKDDXVQQKD-SFHVURJKSA-N 2 0 324.428 2.591 20 0 DFADRP Cn1cc(C[NH2+]CCC[NH2+]C2CC2)c(-c2ccccc2Cl)n1 ZINC000415072599 428509629 /nfs/dbraw/zinc/50/96/29/428509629.db2.gz XBSDQCITCISXLD-UHFFFAOYSA-N 2 0 318.852 2.972 20 0 DFADRP [NH3+]C[C@H](NC1CC[NH+](CCC(F)(F)F)CC1)C1CCCC1 ZINC000415067806 428510650 /nfs/dbraw/zinc/51/06/50/428510650.db2.gz PTVHLQPIHSFYPF-AWEZNQCLSA-N 2 0 307.404 2.510 20 0 DFADRP C[C@@H]([NH2+]CC1(O)CC[NH+](Cc2ccccc2)CC1)[C@@H]1C[C@H]1C ZINC000397555550 428511452 /nfs/dbraw/zinc/51/14/52/428511452.db2.gz LGVMNTSVDNHYNC-JFIYKMOQSA-N 2 0 302.462 2.648 20 0 DFADRP CC(C)n1cnnc1[C@H]1CCC[N@H+](CC[C@H]2CCC[NH+]2C)C1 ZINC000357392414 428511884 /nfs/dbraw/zinc/51/18/84/428511884.db2.gz SWONOUOJXWTPAW-JKSUJKDBSA-N 2 0 305.470 2.523 20 0 DFADRP C[C@@]1(C[NH2+]Cc2ccc(OCC(F)(F)F)cc2)CC[NH2+]C1 ZINC000415077174 428512779 /nfs/dbraw/zinc/51/27/79/428512779.db2.gz DYRVBDSBIKQKLU-CQSZACIVSA-N 2 0 302.340 2.717 20 0 DFADRP CCOC(=O)c1coc(CN(C)C2CC[NH+](C(C)C)CC2)c1 ZINC000353385232 428514997 /nfs/dbraw/zinc/51/49/97/428514997.db2.gz SZAYBOQDXYWHTA-UHFFFAOYSA-N 2 0 308.422 2.761 20 0 DFADRP COc1ccccc1N1CCC([NH2+]C2CCC(C[NH3+])CC2)CC1 ZINC000415089332 428515943 /nfs/dbraw/zinc/51/59/43/428515943.db2.gz WGPBRKSRAZOEDQ-UHFFFAOYSA-N 2 0 317.477 2.771 20 0 DFADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1N[C@H]1CCC[NH2+][C@@H]1C ZINC000398113429 428516829 /nfs/dbraw/zinc/51/68/29/428516829.db2.gz DVDTXPIMNNXKQT-FPAYPSAMSA-N 2 0 301.478 2.627 20 0 DFADRP C[N@H+](C[C@@H]1CC12CC[NH+](CCO[C@H]1CCCCO1)CC2)C1CC1 ZINC000373118332 428516906 /nfs/dbraw/zinc/51/69/06/428516906.db2.gz QFGURDSYMZFUPI-WMZOPIPTSA-N 2 0 322.493 2.726 20 0 DFADRP C[C@@H]([NH2+]C1CCN(Cc2ccc(F)c(F)c2)CC1)[C@H]1CC[NH2+]C1 ZINC000415096322 428518906 /nfs/dbraw/zinc/51/89/06/428518906.db2.gz BCUKMLXXQQMNFW-HIFRSBDPSA-N 2 0 323.431 2.517 20 0 DFADRP C[C@@H](CN1CC[NH+](C)CC1)[NH2+][C@H]1CCc2ccc(Cl)cc21 ZINC000343124357 428520201 /nfs/dbraw/zinc/52/02/01/428520201.db2.gz ZOESDIDRWROUMP-GUYCJALGSA-N 2 0 307.869 2.553 20 0 DFADRP CN(C)c1ccccc1CN1C[C@@H](c2ccccc2F)[C@H]([NH3+])C1 ZINC000415115497 428523767 /nfs/dbraw/zinc/52/37/67/428523767.db2.gz DUUGDZIQHFIFTJ-FUHWJXTLSA-N 2 0 313.420 2.818 20 0 DFADRP Cc1nn(C)c(C)c1C[C@H](C)[NH2+][C@H](C)C[C@@H]1CCCCC[NH2+]1 ZINC000415113812 428524237 /nfs/dbraw/zinc/52/42/37/428524237.db2.gz SQRVFNXRVMCMFX-KEYYUXOJSA-N 2 0 306.498 2.868 20 0 DFADRP [NH3+]CCCN(c1cccc(F)c1)[C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000415111427 428525206 /nfs/dbraw/zinc/52/52/06/428525206.db2.gz BXELQRSPTTVJMR-RCCFBDPRSA-N 2 0 305.441 2.902 20 0 DFADRP CC[C@@H](C[N@@H+]1CCC[C@H](n2cc(C[NH3+])nn2)C1)c1ccccc1 ZINC000415126443 428529180 /nfs/dbraw/zinc/52/91/80/428529180.db2.gz MDKHXFYVQCZCJE-YJBOKZPZSA-N 2 0 313.449 2.568 20 0 DFADRP c1cnn(Cc2ccc(C[NH2+][C@@H]3CCC[C@@H]3[C@@H]3CCC[NH2+]3)cc2)c1 ZINC000415124675 428529669 /nfs/dbraw/zinc/52/96/69/428529669.db2.gz RFHFJUIQUBXUAJ-HSALFYBXSA-N 2 0 324.472 2.942 20 0 DFADRP CSc1ccc(C[N@@H+]2CC3(CC[NH2+]CC3)[C@@H]3COC[C@@H]32)cc1 ZINC000415126986 428529818 /nfs/dbraw/zinc/52/98/18/428529818.db2.gz HNFGFKLNISGNHA-SJORKVTESA-N 2 0 318.486 2.609 20 0 DFADRP COC[C@]1(C[NH2+][C@H]2CCC[C@H]2c2ccc(F)cc2)CCC[NH2+]1 ZINC000414956783 428471771 /nfs/dbraw/zinc/47/17/71/428471771.db2.gz PAWSXTYKOGRZQD-OKZBNKHCSA-N 2 0 306.425 2.820 20 0 DFADRP C[C@H](C[NH2+][C@@H](C)C1CCC(F)(F)CC1)CN1CC[NH+](C)CC1 ZINC000353294694 428473411 /nfs/dbraw/zinc/47/34/11/428473411.db2.gz VPGHLSGIWVMFQO-CABCVRRESA-N 2 0 317.468 2.674 20 0 DFADRP Fc1ccc(Cn2cc(C[NH2+]CCC[C@@H]3CCC[NH2+]3)cn2)cc1 ZINC000414961038 428474293 /nfs/dbraw/zinc/47/42/93/428474293.db2.gz HWILGCTVFRWQLB-GOSISDBHSA-N 2 0 316.424 2.692 20 0 DFADRP Cc1csc(N2CCC([NH2+]CCC[C@H]3CCC[NH2+]3)CC2)n1 ZINC000414971504 428477530 /nfs/dbraw/zinc/47/75/30/428477530.db2.gz LLVRJKAYOWTXRV-CQSZACIVSA-N 2 0 308.495 2.542 20 0 DFADRP C[C@@H]1CN(C)C[C@H]1[NH2+]CC1(c2ccccc2Cl)CCOCC1 ZINC000358093040 428581317 /nfs/dbraw/zinc/58/13/17/428581317.db2.gz ZBKBRWPUGZVWEH-RHSMWYFYSA-N 2 0 322.880 2.928 20 0 DFADRP CC(C)CC[NH+]1CCC(C[NH2+][C@H](C)c2ccc(=O)[nH]n2)CC1 ZINC000353531497 428581223 /nfs/dbraw/zinc/58/12/23/428581223.db2.gz VJDNUJFTLNHETK-CQSZACIVSA-N 2 0 306.454 2.591 20 0 DFADRP CC[NH+]1CCN([C@@H](C)C[NH2+][C@H](c2ccc(F)cn2)C(C)C)CC1 ZINC000353544033 428586306 /nfs/dbraw/zinc/58/63/06/428586306.db2.gz HUJAOJMKZFSJIF-YJBOKZPZSA-N 2 0 322.472 2.533 20 0 DFADRP CC[C@@H]([NH2+]C[C@H]1CCC[N@@H+](C(C)C)C1)C1(C(=O)OC)CCC1 ZINC000353542949 428586356 /nfs/dbraw/zinc/58/63/56/428586356.db2.gz NXLZRJDDIVEDEA-HZPDHXFCSA-N 2 0 310.482 2.818 20 0 DFADRP CC[C@H]([NH2+]C[C@H](C)N1CCCC[C@@H]1C)C1(C(=O)OC)CCC1 ZINC000353547054 428587793 /nfs/dbraw/zinc/58/77/93/428587793.db2.gz YCIOFVVFLUSBBB-JYJNAYRXSA-N 2 0 310.482 2.961 20 0 DFADRP [NH3+][C@@H]1CCO[C@H](C2CC[NH+](Cc3ccc(F)c(F)c3)CC2)C1 ZINC000415130492 428532432 /nfs/dbraw/zinc/53/24/32/428532432.db2.gz XBWVZFAXIROGNS-PBHICJAKSA-N 2 0 310.388 2.683 20 0 DFADRP C[C@@H]1CC[C@H](N[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)C[NH2+]1 ZINC000399115724 428534647 /nfs/dbraw/zinc/53/46/47/428534647.db2.gz FWTQJHOOSFBEIN-ZAWLATJESA-N 2 0 301.478 2.627 20 0 DFADRP Cc1ccc(C[N@H+]2CC[C@H](C)[C@H](C[NH3+])C2)c(-c2cnn(C)c2)c1 ZINC000415136690 428535972 /nfs/dbraw/zinc/53/59/72/428535972.db2.gz XOKDXIMLMLJIDM-DOTOQJQBSA-N 2 0 312.461 2.812 20 0 DFADRP C[NH+](C)[C@H](CN[C@@H]1CC[N@H+](C)[C@H]2CCC[C@@H]21)c1ccccc1 ZINC000353438782 428536426 /nfs/dbraw/zinc/53/64/26/428536426.db2.gz VULKAKCOXXNUQI-AKHDSKFASA-N 2 0 301.478 2.752 20 0 DFADRP CC[NH+](CC)[C@H](CNC(=O)[C@H](C(C)C)[C@@H](C)[NH3+])c1ccccc1 ZINC000399403692 428539963 /nfs/dbraw/zinc/53/99/63/428539963.db2.gz XDGPPGXFYNQQGK-KBAYOESNSA-N 2 0 319.493 2.805 20 0 DFADRP C[NH+](C)[C@H](CN[C@@H]1CC[N@H+](C)[C@@H]2CCC[C@H]21)Cc1ccccc1 ZINC000353451537 428542029 /nfs/dbraw/zinc/54/20/29/428542029.db2.gz AGXSRLSDUHYKGL-VNTMZGSJSA-N 2 0 315.505 2.622 20 0 DFADRP C[N@@H+]1CC[C@H]([NH2+]CCc2ccc(-n3cccn3)cc2)[C@H]2CCC[C@H]21 ZINC000353451486 428542920 /nfs/dbraw/zinc/54/29/20/428542920.db2.gz ABCJDMAOUYANOF-HSALFYBXSA-N 2 0 324.472 2.877 20 0 DFADRP CC[N@@H+]1CC[C@H]([NH2+][C@H]2CCc3nc(C(C)(C)C)cn3C2)[C@@H](C)C1 ZINC000347318236 428543348 /nfs/dbraw/zinc/54/33/48/428543348.db2.gz NALHQSDRFPTEQM-JYJNAYRXSA-N 2 0 318.509 2.815 20 0 DFADRP C[C@@H](N[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C)[C@H]1CCC[NH2+]1 ZINC000400323552 428544179 /nfs/dbraw/zinc/54/41/79/428544179.db2.gz APYVSWHYAPMFDO-ZAWLATJESA-N 2 0 301.478 2.627 20 0 DFADRP C[C@H](Cc1ccc(Br)cc1)[NH2+][C@H](C)[C@@H]1CC[NH2+]C1 ZINC000400502407 428545257 /nfs/dbraw/zinc/54/52/57/428545257.db2.gz IXGXWBJMQPWEBR-YRGRVCCFSA-N 2 0 311.267 2.968 20 0 DFADRP C[C@H](CC[NH+](C)C)[NH2+][C@H](C)[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000400467584 428545917 /nfs/dbraw/zinc/54/59/17/428545917.db2.gz WQBDYFZCKTZTKX-RBSFLKMASA-N 2 0 313.486 2.704 20 0 DFADRP C[C@H](NC[C@]1(C)CCC[N@@H+]1Cc1ccccc1)[C@H]1CC[NH2+]C1 ZINC000400442862 428546021 /nfs/dbraw/zinc/54/60/21/428546021.db2.gz ORTZYHYOGOKLQT-WDSOQIARSA-N 2 0 301.478 2.629 20 0 DFADRP C[C@H](N[C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]12)[C@H]1CCC[NH2+]1 ZINC000400742100 428547812 /nfs/dbraw/zinc/54/78/12/428547812.db2.gz TWBWYKUCOLDXRF-CJSSEVFESA-N 2 0 313.489 2.627 20 0 DFADRP C[N@@H+]1CC[C@H]([NH2+]C2CCN(c3ccccn3)CC2)[C@H]2CCC[C@H]21 ZINC000353465204 428548289 /nfs/dbraw/zinc/54/82/89/428548289.db2.gz WGIIQFBYQYPRRG-FGTMMUONSA-N 2 0 314.477 2.513 20 0 DFADRP C[C@@H]1[C@H]([NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)CCN1Cc1ccccc1 ZINC000401018897 428550705 /nfs/dbraw/zinc/55/07/05/428550705.db2.gz JSFPYNLKKPSWNG-YHUYVZNPSA-N 3 0 313.489 2.627 20 0 DFADRP Brc1ccc(C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC000401059359 428552167 /nfs/dbraw/zinc/55/21/67/428552167.db2.gz WLDHZXCJJVGNCU-VNHYZAJKSA-N 2 0 309.251 2.927 20 0 DFADRP C[C@H](c1cnccn1)[NH+]1CCC2(C[C@@H]2C[N@H+](C)C2CC2)CC1 ZINC000373352344 428554525 /nfs/dbraw/zinc/55/45/25/428554525.db2.gz DVHHIXIMXIPERB-HUUCEWRRSA-N 2 0 300.450 2.734 20 0 DFADRP CC(C)[N@H+](C)CCN[C@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000361328773 428557927 /nfs/dbraw/zinc/55/79/27/428557927.db2.gz QYKBXJYYPFGGOB-HKUYNNGSSA-N 2 0 303.494 2.969 20 0 DFADRP CCOC(C[N@H+](C)CC1CCN(c2cc[nH+]cc2)CC1)OCC ZINC000373362787 428558430 /nfs/dbraw/zinc/55/84/30/428558430.db2.gz OUDCWNNJPYQSEF-UHFFFAOYSA-N 2 0 321.465 2.629 20 0 DFADRP COc1cc(C)c(C[N@@H+]2CCC[C@H](C)[C@@H]2CC[NH3+])cc1OC ZINC000404365827 428568049 /nfs/dbraw/zinc/56/80/49/428568049.db2.gz HFSYXSWCEBVHKL-BBRMVZONSA-N 2 0 306.450 2.962 20 0 DFADRP CCOc1ccccc1OCC[N@@H+]1CCC[C@H](C)[C@H]1CC[NH3+] ZINC000404399313 428569130 /nfs/dbraw/zinc/56/91/30/428569130.db2.gz QBKXFLBRISRFQU-JKSUJKDBSA-N 2 0 306.450 2.913 20 0 DFADRP C[C@H](CN[C@@H]1CC[N@H+](C)[C@@H]2CCC[C@@H]21)[NH+](C)Cc1ccccc1 ZINC000353518012 428572225 /nfs/dbraw/zinc/57/22/25/428572225.db2.gz KAUQKPVGJZXJIS-VBSBHUPXSA-N 2 0 315.505 2.969 20 0 DFADRP COCCNc1ccc(C[NH2+][C@@H]2CC[N@H+](C)[C@H]3CCC[C@@H]32)cc1 ZINC000353513132 428572571 /nfs/dbraw/zinc/57/25/71/428572571.db2.gz FBEQMRSVUYKSTK-QRVBRYPASA-N 2 0 317.477 2.707 20 0 DFADRP C[NH+](C)CCOC1CC[NH+](Cc2ccc(Cl)s2)CC1 ZINC000353523217 428575957 /nfs/dbraw/zinc/57/59/57/428575957.db2.gz XLWZQKCDCFGNMP-UHFFFAOYSA-N 2 0 302.871 2.944 20 0 DFADRP C[N@@H+]1CC[C@H]([NH2+]Cc2cccc(-n3ccnc3)c2)[C@@H]2CCC[C@H]21 ZINC000353521582 428576263 /nfs/dbraw/zinc/57/62/63/428576263.db2.gz QFJBQZPJWJNYTJ-GBESFXJTSA-N 2 0 310.445 2.835 20 0 DFADRP O=C(Nc1ccc(C[NH+]2CCCC2)cc1)[C@@H]1CC[C@H](C2CC2)[NH2+]1 ZINC000407304142 428580066 /nfs/dbraw/zinc/58/00/66/428580066.db2.gz DGMXNKSIRQMEKL-MSOLQXFVSA-N 2 0 313.445 2.752 20 0 DFADRP C[C@@H]1CN(C)C[C@@H]1[NH2+]C1[C@H](C)C[NH+](Cc2ccccc2)C[C@H]1C ZINC000361970014 428606936 /nfs/dbraw/zinc/60/69/36/428606936.db2.gz FEASUMZQBDYZOG-MTNOOBJLSA-N 2 0 315.505 2.683 20 0 DFADRP CCCC[N@H+](C)C[C@H](C)NC(=O)Nc1ccc2c(c1)C[NH2+]CC2 ZINC000415900562 428619977 /nfs/dbraw/zinc/61/99/77/428619977.db2.gz UBIBYENDJACOBP-AWEZNQCLSA-N 2 0 318.465 2.574 20 0 DFADRP C[NH2+]Cc1ccccc1NC(=O)N[C@@H](C)C[N@@H+]1CCC[C@H](C)C1 ZINC000415903915 428621888 /nfs/dbraw/zinc/62/18/88/428621888.db2.gz RCASIHFFWXOSAN-GJZGRUSLSA-N 2 0 318.465 2.648 20 0 DFADRP CC[NH2+]Cc1cccc(NC(=O)N2C[C@@H](C)[N@H+](CC)C[C@H]2C)c1 ZINC000415907685 428622074 /nfs/dbraw/zinc/62/20/74/428622074.db2.gz BTGINYVHJMPCET-HUUCEWRRSA-N 2 0 318.465 2.743 20 0 DFADRP CC[N@@H+]1CC[C@@H](N(C)C(=O)Nc2ccccc2C[NH2+]C)C[C@@H]1C ZINC000415903587 428622093 /nfs/dbraw/zinc/62/20/93/428622093.db2.gz AHSSXDRBKQBNJK-GOEBONIOSA-N 2 0 318.465 2.743 20 0 DFADRP C[C@@H](Cc1cnccn1)[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000358660465 428622406 /nfs/dbraw/zinc/62/24/06/428622406.db2.gz GKRHLJGYUFBWJJ-HNNXBMFYSA-N 2 0 302.466 2.794 20 0 DFADRP CSC1(C[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C23CCCC3)CC[NH+](C)CC1 ZINC000353622213 428625516 /nfs/dbraw/zinc/62/55/16/428625516.db2.gz MCVAIXMDJMEXMM-XHSDSOJGSA-N 2 0 324.534 2.751 20 0 DFADRP C[NH2+]Cc1cccc(NC(=O)NC[C@@H](C)[N@@H+]2CCC[C@@H](C)C2)c1 ZINC000415928404 428629574 /nfs/dbraw/zinc/62/95/74/428629574.db2.gz HKVHFENYGTZZJG-HUUCEWRRSA-N 2 0 318.465 2.648 20 0 DFADRP C[NH2+]Cc1cccc(NC(=O)NC[C@@H](C)C[NH+]2CCCCC2)c1 ZINC000415924958 428629587 /nfs/dbraw/zinc/62/95/87/428629587.db2.gz ZHMOUMWIPHQVCB-OAHLLOKOSA-N 2 0 318.465 2.650 20 0 DFADRP CCCC[N@H+](C)C[C@@H](C)NC(=O)Nc1cccc(C[NH2+]C)c1 ZINC000415937410 428630545 /nfs/dbraw/zinc/63/05/45/428630545.db2.gz XEPIWOOVZOLCKO-CQSZACIVSA-N 2 0 306.454 2.648 20 0 DFADRP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+][C@@H](C)c1cncc(F)c1 ZINC000344338297 428631617 /nfs/dbraw/zinc/63/16/17/428631617.db2.gz WYHOUMSNELARMU-LBPRGKRZSA-N 2 0 311.364 2.961 20 0 DFADRP CC[NH2+]Cc1ccccc1NC(=O)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000415943377 428633525 /nfs/dbraw/zinc/63/35/25/428633525.db2.gz LPJAUGBCOYAFGS-HZPDHXFCSA-N 2 0 316.449 2.544 20 0 DFADRP Cc1ncc(C[N@@H+]2CC[C@@H](Nc3cc[nH+]cc3C)[C@H](C)C2)s1 ZINC000373517494 428595362 /nfs/dbraw/zinc/59/53/62/428595362.db2.gz DALYNJZZLYKKDR-CXAGYDPISA-N 2 0 316.474 2.899 20 0 DFADRP CC[NH+](CC)CCN(CC(C)C)C(=O)C[C@H]1CCC[NH2+]CC1 ZINC000373514752 428595468 /nfs/dbraw/zinc/59/54/68/428595468.db2.gz HZJHTPFUQYVEIB-KRWDZBQOSA-N 2 0 311.514 2.593 20 0 DFADRP COCC[C@H](COC)[NH2+][C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000353642426 428636690 /nfs/dbraw/zinc/63/66/90/428636690.db2.gz LMRBAWNAFDSOHJ-QXAKKESOSA-N 2 0 320.477 2.538 20 0 DFADRP C[NH2+]Cc1ccc(NC(=O)NC[C@H](C)[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000415969312 428637225 /nfs/dbraw/zinc/63/72/25/428637225.db2.gz FVBAIXCBSJWJAD-CABCVRRESA-N 2 0 318.465 2.648 20 0 DFADRP C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)Nc1ccc(C[NH3+])cc1 ZINC000415979444 428639272 /nfs/dbraw/zinc/63/92/72/428639272.db2.gz QVESUOSFRFSLHE-QLFBSQMISA-N 2 0 318.465 2.633 20 0 DFADRP C[NH2+]Cc1ccc(NC(=O)NCC[N@H+]2[C@H](C)CCC[C@@H]2C)cc1 ZINC000415978088 428639813 /nfs/dbraw/zinc/63/98/13/428639813.db2.gz ZYSWNCAOWCXWCD-GASCZTMLSA-N 2 0 318.465 2.790 20 0 DFADRP C[N@H+](Cc1ccccc1)CC(C)(C)C[NH2+]C[C@@](C)(O)C1CC1 ZINC000344412109 428639983 /nfs/dbraw/zinc/63/99/83/428639983.db2.gz UYEGFHLVIUYPMF-LJQANCHMSA-N 2 0 304.478 2.895 20 0 DFADRP C[NH2+]Cc1ccc(NC(=O)NCC[NH+]2[C@@H](C)CCC[C@@H]2C)cc1 ZINC000415978090 428640090 /nfs/dbraw/zinc/64/00/90/428640090.db2.gz ZYSWNCAOWCXWCD-GJZGRUSLSA-N 2 0 318.465 2.790 20 0 DFADRP [NH3+]Cc1ccc(NC(=O)N[C@H]2CC[N@H+](CC3CCCC3)C2)cc1 ZINC000415983471 428641880 /nfs/dbraw/zinc/64/18/80/428641880.db2.gz ZNBFHLKOYIAGPF-KRWDZBQOSA-N 2 0 316.449 2.531 20 0 DFADRP Cc1ccnc(N(C)C[C@H]2CCC[N@H+](C)[C@H]2c2ccnn2C)c1 ZINC000344445024 428642962 /nfs/dbraw/zinc/64/29/62/428642962.db2.gz IEYAKTQOEXRXPV-CRAIPNDOSA-N 2 0 313.449 2.643 20 0 DFADRP Cc1ccnc(N(C)C[C@H]2CCC[N@H+](C)[C@@H]2c2ccnn2C)c1 ZINC000344445025 428643698 /nfs/dbraw/zinc/64/36/98/428643698.db2.gz IEYAKTQOEXRXPV-QAPCUYQASA-N 2 0 313.449 2.643 20 0 DFADRP C[NH2+]Cc1cccc(NC(=O)NC[C@H]2[N@H+](C)CCCC2(C)C)c1 ZINC000415958645 428635762 /nfs/dbraw/zinc/63/57/62/428635762.db2.gz LXSDDJVIUCBZAL-MRXNPFEDSA-N 2 0 318.465 2.648 20 0 DFADRP C[NH2+]Cc1ccc(NC(=O)NC[C@@H]2[N@H+](C)CCCC2(C)C)cc1 ZINC000416022808 428651525 /nfs/dbraw/zinc/65/15/25/428651525.db2.gz ZJSXFVDMPYEURK-INIZCTEOSA-N 2 0 318.465 2.648 20 0 DFADRP CCCC[NH+]1CCC(NC(=O)Nc2ccc3c(c2)C[NH2+]C3)CC1 ZINC000415994248 428644270 /nfs/dbraw/zinc/64/42/70/428644270.db2.gz HPEINUZDKUSHFA-UHFFFAOYSA-N 2 0 316.449 2.676 20 0 DFADRP Cc1c[nH+]ccc1N(C)C[C@@H]1CCC[N@H+](C)[C@H]1c1ccnn1C ZINC000344462720 428651902 /nfs/dbraw/zinc/65/19/02/428651902.db2.gz VQSCBTPHAIIPDU-MAUKXSAKSA-N 2 0 313.449 2.643 20 0 DFADRP C[C@@H]([NH2+]CC1CC[NH+](C[C@@H](O)c2ccccc2)CC1)C1CC1 ZINC000237426091 274246480 /nfs/dbraw/zinc/24/64/80/274246480.db2.gz UNMFSEYXPUIFER-DNVCBOLYSA-N 2 0 302.462 2.820 20 0 DFADRP FC(F)(F)[C@H]1C[C@H]([NH2+]CC2CC[NH+](C3CC3)CC2)CCO1 ZINC000348300346 428699963 /nfs/dbraw/zinc/69/99/63/428699963.db2.gz JHJSUFISIXCVRX-TZMCWYRMSA-N 2 0 306.372 2.560 20 0 DFADRP C[C@@H]1C[C@@H](C[N@H+]2C[C@@H]3C[NH+](Cc4ccccc4)C[C@@H]3C2)CCO1 ZINC000348315349 428704959 /nfs/dbraw/zinc/70/49/59/428704959.db2.gz ITOFRRGFWQDWFV-MDNKFWRPSA-N 2 0 314.473 2.865 20 0 DFADRP CCC[NH+]1CCC([NH2+]C[C@H](CO)c2ccccc2Cl)CC1 ZINC000348321255 428707164 /nfs/dbraw/zinc/70/71/64/428707164.db2.gz MNWZSWXVUWWEEB-CQSZACIVSA-N 2 0 310.869 2.880 20 0 DFADRP CCn1cc(CC[NH2+][C@@H]2CCCC[C@H]2C[NH+](CC)CC)cn1 ZINC000348359998 428718295 /nfs/dbraw/zinc/71/82/95/428718295.db2.gz BKYFQQRDTBJNIJ-ZWKOTPCHSA-N 2 0 306.498 2.936 20 0 DFADRP C[C@H](CC[NH2+][C@@H]1CCO[C@@H](C(F)(F)F)C1)[NH+]1CCCCC1 ZINC000348362445 428721763 /nfs/dbraw/zinc/72/17/63/428721763.db2.gz AFADGZYMDYXKIV-MGPQQGTHSA-N 2 0 308.388 2.950 20 0 DFADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]C[C@@H](CO)c1ccccc1Cl ZINC000348383610 428729275 /nfs/dbraw/zinc/72/92/75/428729275.db2.gz DPDBMTQPTKYBLP-WVZRYYJFSA-N 2 0 310.869 2.734 20 0 DFADRP CSC1(C[NH2+]Cc2ccccc2C[N@@H+]2CCC[C@H]2CO)CC1 ZINC000348254165 428679298 /nfs/dbraw/zinc/67/92/98/428679298.db2.gz NPVODHUMMSPZPG-KRWDZBQOSA-N 2 0 320.502 2.629 20 0 DFADRP CN(C)CC[NH+]1CCC(C[NH2+]C[C@H]2C[C@H]2c2ccccc2)CC1 ZINC000348251942 428680248 /nfs/dbraw/zinc/68/02/48/428680248.db2.gz ALTSKLWKXAMSRO-UXHICEINSA-N 2 0 315.505 2.653 20 0 DFADRP C[C@@H]1C[C@@H]([NH2+]Cc2c[nH]nc2-c2ccc(F)cc2)CC[N@@H+]1C ZINC000344636690 428685061 /nfs/dbraw/zinc/68/50/61/428685061.db2.gz VKRRWTHBCBXSEN-WBMJQRKESA-N 2 0 302.397 2.788 20 0 DFADRP C[N@H+](CC1CC1)C[C@@H]1CC[NH+](CCCCCn2cccn2)C1 ZINC000348264920 428685398 /nfs/dbraw/zinc/68/53/98/428685398.db2.gz BXEOIMNNQYYPAU-SFHVURJKSA-N 2 0 304.482 2.717 20 0 DFADRP CC(C)(C[NH2+][C@H]1CCO[C@@H](C(F)(F)F)C1)C[NH+]1CCCC1 ZINC000348273675 428689923 /nfs/dbraw/zinc/68/99/23/428689923.db2.gz AUANRQANXAMCNA-QWHCGFSZSA-N 2 0 308.388 2.808 20 0 DFADRP CC[N@@H+]1CC[C@@H](N(C)Cc2ccc(C(=O)OC)cc2)C[C@H]1C ZINC000353749786 428691307 /nfs/dbraw/zinc/69/13/07/428691307.db2.gz MLQRGCZECRRLGM-RHSMWYFYSA-N 2 0 304.434 2.778 20 0 DFADRP COCCCOc1ccc(C[NH2+][C@@H]2CC[N@H+](C)C[C@H]2C)cc1 ZINC000353869352 428756291 /nfs/dbraw/zinc/75/62/91/428756291.db2.gz QRGWDSXPMZWRRE-CRAIPNDOSA-N 2 0 306.450 2.532 20 0 DFADRP COCCCOc1ccc(C[NH2+][C@H]2CC[N@H+](C)C[C@@H]2C)cc1 ZINC000353869365 428756618 /nfs/dbraw/zinc/75/66/18/428756618.db2.gz QRGWDSXPMZWRRE-YJBOKZPZSA-N 2 0 306.450 2.532 20 0 DFADRP C[NH+]1CCC(C)(C[NH2+][C@@H](c2ccccc2)c2ccncn2)CC1 ZINC000358993214 428764066 /nfs/dbraw/zinc/76/40/66/428764066.db2.gz AWXRCSVJMSPXCQ-SFHVURJKSA-N 2 0 310.445 2.888 20 0 DFADRP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)[C@H]2C[C@H]2c2cccc(F)c2)CC1 ZINC000411248987 428765585 /nfs/dbraw/zinc/76/55/85/428765585.db2.gz YGTMSWGQBPETKZ-CCKFTAQKSA-N 2 0 320.452 2.706 20 0 DFADRP Cc1nc(CO[C@H]2CCN(CCC[NH+]3CCCC3)C2)cs1 ZINC000374862804 428768508 /nfs/dbraw/zinc/76/85/08/428768508.db2.gz MLOPAKAGIKYECR-INIZCTEOSA-N 2 0 309.479 2.528 20 0 DFADRP C[C@H](C[NH2+][C@H]1CC[C@H](C)c2ccccc21)N1CC[NH+](C)CC1 ZINC000127675016 274491809 /nfs/dbraw/zinc/49/18/09/274491809.db2.gz BQTCSMNLZTUJQW-FCEWJHQRSA-N 2 0 301.478 2.851 20 0 DFADRP CC[NH+](CC)CCOC1CC[NH+](CCc2cncs2)CC1 ZINC000411293258 428774193 /nfs/dbraw/zinc/77/41/93/428774193.db2.gz AEKZRZLNMZSCLV-UHFFFAOYSA-N 2 0 311.495 2.508 20 0 DFADRP CC[NH+](CC)[C@H](C)CN[C@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C ZINC000359018376 428774854 /nfs/dbraw/zinc/77/48/54/428774854.db2.gz MXSCIZIKIVHLMP-LMMKCTJWSA-N 2 0 318.509 2.612 20 0 DFADRP OCC[C@H]1CC[N@H+](Cc2cccc(C[NH+]3CCCCC3)c2)C1 ZINC000411309124 428776537 /nfs/dbraw/zinc/77/65/37/428776537.db2.gz JBXJDNURTMQLSR-QGZVFWFLSA-N 2 0 302.462 2.877 20 0 DFADRP CC(C)(C)[N@H+](CC(N)=O)Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000411327175 428778162 /nfs/dbraw/zinc/77/81/62/428778162.db2.gz RBWUCQRLHLDFBJ-UHFFFAOYSA-N 2 0 317.477 2.758 20 0 DFADRP Cc1nn(C(C)(C)C)c(C)c1CN1CC[C@@H]2CC[N@@H+](C)C[C@H]21 ZINC000374905159 428779668 /nfs/dbraw/zinc/77/96/68/428779668.db2.gz WDFAHUNDPVMWRH-DOTOQJQBSA-N 2 0 304.482 2.781 20 0 DFADRP C[C@@H]1CN(CC[C@@H]2CCC[N@@H+]2C)CC[NH+]1Cc1ccccc1 ZINC000411117651 428743089 /nfs/dbraw/zinc/74/30/89/428743089.db2.gz LXCNHDSDEFIUQB-MJGOQNOKSA-N 2 0 301.478 2.677 20 0 DFADRP CC(=O)Nc1ccc(CN2CC[C@H](C[N@H+](C)CC3CC3)C2)cc1 ZINC000354078844 428851095 /nfs/dbraw/zinc/85/10/95/428851095.db2.gz ZAJBLFUHFUMQPF-GOSISDBHSA-N 2 0 315.461 2.809 20 0 DFADRP OC[C@H]1CSCC[N@@H+]1Cc1cccc(C[NH+]2CCCCC2)c1 ZINC000411425462 428796203 /nfs/dbraw/zinc/79/62/03/428796203.db2.gz MLMKUQLRNUQMDE-SFHVURJKSA-N 2 0 320.502 2.582 20 0 DFADRP Cc1ccccc1[C@H](C)[NH2+]CC(=O)NC1CC[NH+](C(C)C)CC1 ZINC000411438105 428796258 /nfs/dbraw/zinc/79/62/58/428796258.db2.gz MIZDWUAGLCOYPD-INIZCTEOSA-N 2 0 317.477 2.635 20 0 DFADRP C[N@H+](CCC1CCN(c2cc[nH+]cc2)CC1)CCC1(O)CCC1 ZINC000411427393 428797163 /nfs/dbraw/zinc/79/71/63/428797163.db2.gz IMZTWOFWXFOCSP-UHFFFAOYSA-N 2 0 317.477 2.925 20 0 DFADRP C[C@@H](CCC[NH3+])NC(=O)NCC1([NH+]2CCCCC2)CCCCC1 ZINC000416817680 428802161 /nfs/dbraw/zinc/80/21/61/428802161.db2.gz IBWLAEOMIPXSKE-INIZCTEOSA-N 2 0 324.513 2.602 20 0 DFADRP O[C@@H]1CC[C@@H]2C[N@H+](Cc3cccc(C[NH+]4CCCCC4)c3)C[C@H]12 ZINC000411499584 428805203 /nfs/dbraw/zinc/80/52/03/428805203.db2.gz DERRIAIANLXDQK-HSALFYBXSA-N 2 0 314.473 2.875 20 0 DFADRP CCCNC(=O)CCC[NH2+][C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000411518631 428811999 /nfs/dbraw/zinc/81/19/99/428811999.db2.gz PVVSJTFJHNAMLV-JKSUJKDBSA-N 2 0 309.498 2.535 20 0 DFADRP CCCCNC(=O)CC[NH2+][C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000411520633 428812089 /nfs/dbraw/zinc/81/20/89/428812089.db2.gz WJUAIHRATUICRI-JKSUJKDBSA-N 2 0 309.498 2.535 20 0 DFADRP Cc1cc(C)cc(C[NH+]2CCN([C@H]3CCC[N@@H+](C)C3)CC2)c1 ZINC000362940341 428815571 /nfs/dbraw/zinc/81/55/71/428815571.db2.gz DHIZIIAGOBKURY-IBGZPJMESA-N 2 0 301.478 2.515 20 0 DFADRP O[C@@H]1C[N@H+](Cc2cccc(C[NH+]3CCCCC3)c2)CC12CC2 ZINC000411559713 428816188 /nfs/dbraw/zinc/81/61/88/428816188.db2.gz APLDJIIWDRPNEH-GOSISDBHSA-N 2 0 300.446 2.629 20 0 DFADRP CCc1ncc(C[N@H+]2CC[C@@H](OCC[NH+](CC)CC)C2)s1 ZINC000354080517 428853034 /nfs/dbraw/zinc/85/30/34/428853034.db2.gz ABUNIEJDEVJTAW-CQSZACIVSA-N 2 0 311.495 2.638 20 0 DFADRP CC[N@H+](CC(=O)NC1CC[NH+](C(C)C)CC1)[C@@H]1CCCC[C@@H]1C ZINC000411619490 428824335 /nfs/dbraw/zinc/82/43/35/428824335.db2.gz XKMFJZRAGXTVOQ-FUHWJXTLSA-N 2 0 323.525 2.876 20 0 DFADRP C[C@@H]1CC[N@H+](Cc2ccc(C[NH+]3CCCCC3)cc2)[C@H]1CO ZINC000411614227 428825177 /nfs/dbraw/zinc/82/51/77/428825177.db2.gz KPBSWBDUUHMSRV-APWZRJJASA-N 2 0 302.462 2.875 20 0 DFADRP Cc1cc(-n2ccnc2)ccc1C[N@H+]1CC[C@@H]2CCN(C)C[C@@H]21 ZINC000375229830 428826777 /nfs/dbraw/zinc/82/67/77/428826777.db2.gz POYJSAVQOQAWHL-LPHOPBHVSA-N 2 0 310.445 2.707 20 0 DFADRP CC[C@@H]([NH2+]C[C@@H]1CCCN1CC(C)C)C1(C(=O)OC)CCC1 ZINC000354029546 428830417 /nfs/dbraw/zinc/83/04/17/428830417.db2.gz TYFLIQRIKGMWAF-JKSUJKDBSA-N 2 0 310.482 2.818 20 0 DFADRP CC[NH+](CC)CCOC1CC[NH+](Cc2ccc(COC)o2)CC1 ZINC000354034892 428832452 /nfs/dbraw/zinc/83/24/52/428832452.db2.gz UOFQCBYMUNNMID-UHFFFAOYSA-N 2 0 324.465 2.749 20 0 DFADRP CC(C)[NH+]1CCN(C2CC[NH+](Cc3cccs3)CC2)CC1 ZINC000354033058 428833259 /nfs/dbraw/zinc/83/32/59/428833259.db2.gz HNHLKVMCPPSIDC-UHFFFAOYSA-N 2 0 307.507 2.739 20 0 DFADRP C[N@H+](CCCNC(=O)NCC1([NH3+])CCCCC1)C1CCCCC1 ZINC000417012719 428841124 /nfs/dbraw/zinc/84/11/24/428841124.db2.gz AYCLITOSKBACOI-UHFFFAOYSA-N 2 0 324.513 2.602 20 0 DFADRP CC(C)C(C[N@@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@H](C)C1)C(C)C ZINC000375273060 428841111 /nfs/dbraw/zinc/84/11/11/428841111.db2.gz WQWQNVCVNYWTKI-IEBWSBKVSA-N 2 0 309.542 2.872 20 0 DFADRP C[C@H]([NH3+])[C@H]1CCCCN1C(=O)NCCC[N@H+](C)C1CCCCC1 ZINC000417044283 428844020 /nfs/dbraw/zinc/84/40/20/428844020.db2.gz XVNTVTIMXIUZDZ-DOTOQJQBSA-N 2 0 324.513 2.552 20 0 DFADRP C[C@H]([NH2+]CCCN1CCN(c2cc[nH+]cc2)CC1)C1CCCC1 ZINC000354198056 428909654 /nfs/dbraw/zinc/90/96/54/428909654.db2.gz CTIGQMBSJRGYOV-KRWDZBQOSA-N 2 0 316.493 2.762 20 0 DFADRP CC[NH+](CC)C[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(C(=O)OC)[nH]1 ZINC000359304112 428910768 /nfs/dbraw/zinc/91/07/68/428910768.db2.gz VMRHERMWOCNKQW-GOEBONIOSA-N 2 0 321.465 2.792 20 0 DFADRP C[N@H+](CCC1CC[NH2+]CC1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000359212175 428866123 /nfs/dbraw/zinc/86/61/23/428866123.db2.gz GBIBQGIRHIZIIS-FQEVSTJZSA-N 2 0 315.505 2.973 20 0 DFADRP C[C@@H]1CC[N@H+](CCC2CC[NH2+]CC2)CCN1Cc1ccccc1 ZINC000359210608 428867344 /nfs/dbraw/zinc/86/73/44/428867344.db2.gz LNCBTMIYMHPODI-GOSISDBHSA-N 2 0 315.505 2.973 20 0 DFADRP c1cc([C@@H]2CCC[N@H+]2CCC2CC[NH2+]CC2)cc2c1OCO2 ZINC000359222739 428872158 /nfs/dbraw/zinc/87/21/58/428872158.db2.gz YPUQDEQGSNTGNV-INIZCTEOSA-N 2 0 302.418 2.942 20 0 DFADRP c1cc([C@H]2CCC[N@H+]2CCC2CC[NH2+]CC2)cc2c1OCO2 ZINC000359222746 428873415 /nfs/dbraw/zinc/87/34/15/428873415.db2.gz YPUQDEQGSNTGNV-MRXNPFEDSA-N 2 0 302.418 2.942 20 0 DFADRP Cc1cc(F)ccc1CN(CCC[NH+](C)C)CCC[NH+](C)C ZINC000348904355 428873969 /nfs/dbraw/zinc/87/39/69/428873969.db2.gz LHRXYRCJTHDLJJ-UHFFFAOYSA-N 2 0 309.473 2.840 20 0 DFADRP C[C@H]1C[C@@H](O)C[N@H+](Cc2cccc(C[NH+]3CCCCC3)c2)C1 ZINC000411877065 428874204 /nfs/dbraw/zinc/87/42/04/428874204.db2.gz QFSAQXXRKDBYHR-QFBILLFUSA-N 2 0 302.462 2.875 20 0 DFADRP C[N@@H+]1CCC[C@@H](N2CC[NH+](CCCCc3ccccc3)CC2)C1 ZINC000375401686 428875278 /nfs/dbraw/zinc/87/52/78/428875278.db2.gz HKXYVPRAOKIIMS-HXUWFJFHSA-N 2 0 315.505 2.721 20 0 DFADRP CCC[C@@H](C[N@@H+]1CC[C@@H](N2CC[NH2+]CC2)C1)c1ccccc1 ZINC000348973667 428890583 /nfs/dbraw/zinc/89/05/83/428890583.db2.gz IJHYRTRJGSWERY-RBUKOAKNSA-N 2 0 301.478 2.550 20 0 DFADRP OC[C@@]1(Cc2ccccc2)CCC[N@@H+]1CCC[NH+]1CCCC1 ZINC000375470846 428892909 /nfs/dbraw/zinc/89/29/09/428892909.db2.gz QRSNWZYKARHHTQ-IBGZPJMESA-N 2 0 302.462 2.542 20 0 DFADRP C[N@@H+]1CCC[C@H](C[NH2+][C@@H]2CCCC[C@H]2O)[C@H]1c1ccccc1 ZINC000375482214 428896447 /nfs/dbraw/zinc/89/64/47/428896447.db2.gz MXSLVEJEOQJMOF-NCXUSEDFSA-N 2 0 302.462 2.963 20 0 DFADRP Cc1ncc(CN2CC[C@H]([NH2+]CCOC(C)C)[C@@H](C)C2)s1 ZINC000375512787 428901738 /nfs/dbraw/zinc/90/17/38/428901738.db2.gz SPULIGFAAJURKO-BBRMVZONSA-N 2 0 311.495 2.677 20 0 DFADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)Cc1ccc(Cl)o1 ZINC000349077878 428914587 /nfs/dbraw/zinc/91/45/87/428914587.db2.gz QPBXBXFGIJSGIG-AWEZNQCLSA-N 2 0 313.873 2.781 20 0 DFADRP C[NH+]1CCC(O)(C[NH2+][C@@H](c2ccccc2)C2CCCC2)CC1 ZINC000359321730 428918637 /nfs/dbraw/zinc/91/86/37/428918637.db2.gz LRBZRUOUFIFGSC-SFHVURJKSA-N 2 0 302.462 2.964 20 0 DFADRP CC[N@@H+]1CC[C@@H]([NH+](C)CCC(=O)Nc2ccccc2)C[C@H]1C ZINC000354212005 428918933 /nfs/dbraw/zinc/91/89/33/428918933.db2.gz ZBHBPSCQTJEIRJ-NVXWUHKLSA-N 2 0 303.450 2.820 20 0 DFADRP COCCOc1ccc([C@H](C)[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000423554494 428971215 /nfs/dbraw/zinc/97/12/15/428971215.db2.gz WPHZRLDFLAOOFZ-DZJNRPSUSA-N 2 0 318.461 2.751 20 0 DFADRP CC[N@@H+]1CC[C@H]([NH+](C)C[C@H](O)COc2ccccc2C)C[C@@H]1C ZINC000354220889 428922663 /nfs/dbraw/zinc/92/26/63/428922663.db2.gz FWFYQRJWEAWGBF-BZSNNMDCSA-N 2 0 320.477 2.539 20 0 DFADRP CC(C)c1nccn1C[C@H]1CCC[N@@H+]1CC[C@H]1CCC[NH+]1C ZINC000363480352 428925307 /nfs/dbraw/zinc/92/53/07/428925307.db2.gz XIZSPMWSTLYNSC-IAGOWNOFSA-N 2 0 304.482 2.955 20 0 DFADRP C[C@@H]1[C@@H](NCCC[NH2+]C2CC2)CCC[N@@H+]1Cc1ccccc1 ZINC000423552405 428971451 /nfs/dbraw/zinc/97/14/51/428971451.db2.gz JWONZBNFKLSAGN-APWZRJJASA-N 2 0 301.478 2.771 20 0 DFADRP COc1cc(C)nc(C[N@@H+]2CC[C@@H](C3CC[NH+](C)CC3)C2)c1 ZINC000349190183 428936183 /nfs/dbraw/zinc/93/61/83/428936183.db2.gz MNXIWKLWGRZYDD-MRXNPFEDSA-N 2 0 303.450 2.562 20 0 DFADRP CC(C)[C@@H]([NH2+]C[C@@H]1CCCN1C)c1ccc2[nH]c(=O)oc2c1 ZINC000359375719 428944234 /nfs/dbraw/zinc/94/42/34/428944234.db2.gz SDFYJQPJNPJRKE-XJKSGUPXSA-N 2 0 303.406 2.914 20 0 DFADRP Cc1cc(F)ccc1[C@@H](O)C[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000363589142 428947831 /nfs/dbraw/zinc/94/78/31/428947831.db2.gz KQSOJHRWVFDTCC-IBGZPJMESA-N 2 0 320.452 2.975 20 0 DFADRP CC(C)c1cc(NCc2ccc([C@@H](C)[NH3+])cc2)nc(N(C)C)[nH+]1 ZINC000420212484 428948008 /nfs/dbraw/zinc/94/80/08/428948008.db2.gz PCWVRJDHBWDFLU-CYBMUJFWSA-N 2 0 313.449 3.298 20 0 DFADRP Nc1cc(C[N@@H+]2CCCC[C@H]2[C@@H](C[NH3+])Cc2ccccc2)ccn1 ZINC000420314870 428957650 /nfs/dbraw/zinc/95/76/50/428957650.db2.gz RBMWCIZJXSZDAL-MOPGFXCFSA-N 2 0 324.472 2.836 20 0 DFADRP Fc1ccc(N2CCC([NH2+][C@H]3CCCC[NH2+]C3)CC2)c(F)c1 ZINC000423550418 428972304 /nfs/dbraw/zinc/97/23/04/428972304.db2.gz IKHZDUNWAYVBJP-HNNXBMFYSA-N 2 0 309.404 2.665 20 0 DFADRP Cc1cnn(C)c1C[NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]12 ZINC000375752905 428961759 /nfs/dbraw/zinc/96/17/59/428961759.db2.gz HBJMWROPXOPLME-CEXWTWQISA-N 2 0 324.472 2.729 20 0 DFADRP Cn1nccc1CC[N@@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000375754777 428964024 /nfs/dbraw/zinc/96/40/24/428964024.db2.gz DKYVGUCWCRMJQR-HXUWFJFHSA-N 2 0 324.472 2.561 20 0 DFADRP C[N@@H+](C/C=C\c1ccc(F)c(F)c1)CCCN1CC[NH+](C)CC1 ZINC000349331313 428964416 /nfs/dbraw/zinc/96/44/16/428964416.db2.gz LHEHUFZBYQBDED-HYXAFXHYSA-N 2 0 323.431 2.547 20 0 DFADRP C[C@H](CC[NH+](C)C)NC(=O)c1cccc(C[NH+]2CCCCC2)c1 ZINC000412149169 428964904 /nfs/dbraw/zinc/96/49/04/428964904.db2.gz QALXUMARAIEEIE-MRXNPFEDSA-N 2 0 317.477 2.743 20 0 DFADRP C[C@@H]([NH2+]CCc1ccc(OCC[NH+](C)C)cc1)C1CCOCC1 ZINC000354331579 428972452 /nfs/dbraw/zinc/97/24/52/428972452.db2.gz DTMICWLYORKNJP-MRXNPFEDSA-N 2 0 320.477 2.574 20 0 DFADRP COC(=O)CCC[C@H]1CCC[C@@H]([NH2+]CCC2=CC[NH2+]CC2)C1 ZINC000423539875 428967784 /nfs/dbraw/zinc/96/77/84/428967784.db2.gz PMZIIZZPCBMQDM-IAGOWNOFSA-N 2 0 308.466 2.788 20 0 DFADRP Cc1c([C@H](C)[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)cnn1C(C)(C)C ZINC000423541379 428968377 /nfs/dbraw/zinc/96/83/77/428968377.db2.gz KRWKTYKYUVFMTG-DRPJVOAASA-N 2 0 304.482 2.985 20 0 DFADRP CC[C@@H](C(=O)Nc1ccc(C[NH3+])cc1)[N@H+](C)Cc1ccccc1 ZINC000423548448 428972534 /nfs/dbraw/zinc/97/25/34/428972534.db2.gz RFSQUEHWVAIMDZ-SFHVURJKSA-N 2 0 311.429 2.994 20 0 DFADRP Cc1cc(C[NH+](C)C)cc(NC(=O)C[C@H]2CCCC[C@H]2[NH3+])c1 ZINC000423778312 429016210 /nfs/dbraw/zinc/01/62/10/429016210.db2.gz CRNPVEBUSMHQTQ-NVXWUHKLSA-N 2 0 303.450 2.903 20 0 DFADRP CCN(CCC[NH+](CC)CC)C(=O)C[C@@H](C)C1CC[NH2+]CC1 ZINC000423786240 429018602 /nfs/dbraw/zinc/01/86/02/429018602.db2.gz SSRXLLIMBBNOBJ-MRXNPFEDSA-N 2 0 311.514 2.593 20 0 DFADRP CCNc1cc(C)ccc1NC(=O)CCC[NH+]1CCC([NH3+])CC1 ZINC000423786613 429018660 /nfs/dbraw/zinc/01/86/60/429018660.db2.gz UIVJNFQPYZPUIU-UHFFFAOYSA-N 2 0 318.465 2.569 20 0 DFADRP CC(C)[NH+]1CCC(NC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)CC1 ZINC000375928518 429019061 /nfs/dbraw/zinc/01/90/61/429019061.db2.gz AYRPXOWDDFYDGP-GOSISDBHSA-N 2 0 321.509 2.773 20 0 DFADRP CC[NH+](CC)[C@H](C(=O)N(C)C[C@H]1CCC[N@@H+]1C)c1ccccc1 ZINC000421711679 429019993 /nfs/dbraw/zinc/01/99/93/429019993.db2.gz PBWBYKVACPYAHC-MSOLQXFVSA-N 2 0 317.477 2.622 20 0 DFADRP CCN(CCC[NH+](C)C)C(=O)C(C)(C)[C@H]([NH3+])c1ccccc1 ZINC000423798508 429023126 /nfs/dbraw/zinc/02/31/26/429023126.db2.gz PTCPBOSARWMHRM-MRXNPFEDSA-N 2 0 305.466 2.513 20 0 DFADRP C[NH+](C)CCOc1cccc(C[NH2+][C@H]2CCCc3n[nH]cc32)c1 ZINC000375788458 428972973 /nfs/dbraw/zinc/97/29/73/428972973.db2.gz ITAJRKWCVVDNKQ-KRWDZBQOSA-N 2 0 314.433 2.517 20 0 DFADRP COC(=O)C[C@@H]1CC[C@H]([NH2+][C@@H]2CCN(C3CCCC3)C2)[C@H]1C ZINC000354331125 428973126 /nfs/dbraw/zinc/97/31/26/428973126.db2.gz PVIXARIQTKXWJY-MPTYRVRUSA-N 2 0 308.466 2.571 20 0 DFADRP C[C@@H]([NH2+]CC1(N)CC[NH+](Cc2ccccc2)CC1)c1cccnc1 ZINC000423579894 428974427 /nfs/dbraw/zinc/97/44/27/428974427.db2.gz WVFURDQEOJAFDM-QGZVFWFLSA-N 2 0 324.472 2.726 20 0 DFADRP CCOc1ccccc1[C@@H](C)[NH2+][C@@H](C)CCN1CC[NH+](C)CC1 ZINC000349383503 428978886 /nfs/dbraw/zinc/97/88/86/428978886.db2.gz VBBSEUQVLQDUBL-DLBZAZTESA-N 2 0 319.493 2.762 20 0 DFADRP Cc1nccn1CCCN1CCOC[C@@H]1c1ccc(F)cc1 ZINC000451801167 428980689 /nfs/dbraw/zinc/98/06/89/428980689.db2.gz QBXLQACUWUCGKK-QGZVFWFLSA-N 2 0 303.381 2.794 20 0 DFADRP CC[C@H](C)[NH+]1CCN(Cc2cncn2Cc2ccccc2)CC1 ZINC000451831817 428990433 /nfs/dbraw/zinc/99/04/33/428990433.db2.gz BCZJLDMPZXRVKU-KRWDZBQOSA-N 2 0 312.461 2.848 20 0 DFADRP C[C@@H]1Cc2ccccc2[C@@H]1[NH2+][C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000363779708 428990559 /nfs/dbraw/zinc/99/05/59/428990559.db2.gz AYINQAGQQBVCJL-WRWLIDTKSA-N 2 0 313.489 2.678 20 0 DFADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CC2(SC)CC2)[C@H](C)C1 ZINC000433084365 428993951 /nfs/dbraw/zinc/99/39/51/428993951.db2.gz SJUGDHXQVLETJS-HUUCEWRRSA-N 2 0 300.512 2.609 20 0 DFADRP CC(C)[C@H]1CCC[C@@H](NC(=O)CCC[NH+]2CCC([NH3+])CC2)C1 ZINC000433117662 428995292 /nfs/dbraw/zinc/99/52/92/428995292.db2.gz PFKRMBVBCUMZOP-DOTOQJQBSA-N 2 0 309.498 2.521 20 0 DFADRP C[C@@H]1CN(Cc2ccccc2)CC[C@H]1[NH2+][C@H]1CCc2nccn2C1 ZINC000375845974 428996215 /nfs/dbraw/zinc/99/62/15/428996215.db2.gz ZRKULJPJAZXBFQ-NZSAHSFTSA-N 3 0 324.472 2.698 20 0 DFADRP CCCOc1ccccc1NC(=O)CCC[NH+]1CCC([NH3+])CC1 ZINC000433134392 428998593 /nfs/dbraw/zinc/99/85/93/428998593.db2.gz QVDBGFZKPYGSGB-UHFFFAOYSA-N 2 0 319.449 2.617 20 0 DFADRP C[C@H]1CCN(C(=O)CCC[NH+]2CCC([NH3+])CC2)c2ccccc21 ZINC000433148186 429001305 /nfs/dbraw/zinc/00/13/05/429001305.db2.gz GAJCUGHAVDJKMA-HNNXBMFYSA-N 2 0 315.461 2.730 20 0 DFADRP [NH3+]C1CC[NH+](CCCC(=O)Nc2cccc3ccccc32)CC1 ZINC000433146526 429001507 /nfs/dbraw/zinc/00/15/07/429001507.db2.gz VSVTUCFLQFLLMB-UHFFFAOYSA-N 2 0 311.429 2.982 20 0 DFADRP CCCC[C@@H]1CCC[C@@H]1NC(=O)CCC[NH+]1CCC([NH3+])CC1 ZINC000433151127 429001662 /nfs/dbraw/zinc/00/16/62/429001662.db2.gz HQQJQFKXQGSZFI-WBVHZDCISA-N 2 0 309.498 2.665 20 0 DFADRP [NH3+]CC1(CC(=O)N2CC[NH+](C3CCCCC3)CC2)CCCCC1 ZINC000423716529 429001868 /nfs/dbraw/zinc/00/18/68/429001868.db2.gz XOBYBTCVHRQMOX-UHFFFAOYSA-N 2 0 321.509 2.763 20 0 DFADRP CC(C)[NH+]1CCC(NC(=O)C(C)(C)[C@@H]([NH3+])c2ccccc2)CC1 ZINC000423718034 429002143 /nfs/dbraw/zinc/00/21/43/429002143.db2.gz ATYULRAKXFLBND-KRWDZBQOSA-N 2 0 317.477 2.702 20 0 DFADRP C[NH+](C)Cc1ccc(CNC(=O)[C@H]([NH3+])CC2CCCCC2)cc1 ZINC000423717684 429002577 /nfs/dbraw/zinc/00/25/77/429002577.db2.gz AOOJZQICRYLSKC-GOSISDBHSA-N 2 0 317.477 2.662 20 0 DFADRP CC(C)[NH+]1CCN([C@@H]2CC[N@@H+]([C@H](C)c3ccccc3F)C2)CC1 ZINC000375905720 429013569 /nfs/dbraw/zinc/01/35/69/429013569.db2.gz NSDMIGJLRWCGHY-IAGOWNOFSA-N 2 0 319.468 2.987 20 0 DFADRP C[C@@]1(C(=O)Nc2cccc(CC[NH+]3CCCC3)c2)CCCC[NH2+]1 ZINC000423770106 429014417 /nfs/dbraw/zinc/01/44/17/429014417.db2.gz HDPSMBDGQCLBDS-IBGZPJMESA-N 2 0 315.461 2.796 20 0 DFADRP [NH3+][C@@H](CC1CCCCC1)C(=O)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000423448653 429089855 /nfs/dbraw/zinc/08/98/55/429089855.db2.gz VGYZPPURGJFAEO-MSOLQXFVSA-N 2 0 321.509 2.619 20 0 DFADRP C[C@H](CCC[NH3+])[NH2+][C@@H](C)c1ncc(Br)cc1F ZINC000423455702 429091257 /nfs/dbraw/zinc/09/12/57/429091257.db2.gz MZTROIYROIXLFH-BDAKNGLRSA-N 2 0 304.207 2.761 20 0 DFADRP CCCCOCC[N@@H+]1CC[C@H](CN(C)Cc2cccnc2)C1 ZINC000434497146 429092706 /nfs/dbraw/zinc/09/27/06/429092706.db2.gz CGSMARMZUMLJLX-GOSISDBHSA-N 2 0 305.466 2.652 20 0 DFADRP [NH3+][C@H](CCC(=O)NC[C@H]1CC[N@@H+](C2CC2)C1)CC1CCCCC1 ZINC000424139828 429097854 /nfs/dbraw/zinc/09/78/54/429097854.db2.gz VQGLUQASPVCKSS-IAGOWNOFSA-N 2 0 321.509 2.665 20 0 DFADRP c1ccc(C[C@@H]([NH2+]CCC[C@@H]2CCC[NH2+]2)c2cccnc2)nc1 ZINC000423477892 429093675 /nfs/dbraw/zinc/09/36/75/429093675.db2.gz KRTUWJAXXXRQNL-PKOBYXMFSA-N 2 0 310.445 2.882 20 0 DFADRP COc1ccccc1NC(=O)C[C@H](C)[NH2+]C[C@H]1CCC[C@H]([NH3+])C1 ZINC000423474221 429094422 /nfs/dbraw/zinc/09/44/22/429094422.db2.gz YVVWLLLFYXJBFL-KKUMJFAQSA-N 2 0 319.449 2.519 20 0 DFADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2cc(C)cc(N)c2)[C@H](C)C1 ZINC000423473378 429095207 /nfs/dbraw/zinc/09/52/07/429095207.db2.gz HCDCIPPECLXVBS-VQIMIIECSA-N 2 0 319.493 2.804 20 0 DFADRP C[N@H+](Cc1ccccc1NC(=O)[C@@H]1C[C@@H]1[NH3+])C1CCCCC1 ZINC000424137151 429096299 /nfs/dbraw/zinc/09/62/99/429096299.db2.gz OMPMZISWCHLWNV-CVEARBPZSA-N 2 0 301.434 2.737 20 0 DFADRP C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)[C@H]1CCCC[C@]1(C)[NH3+] ZINC000423847315 429035683 /nfs/dbraw/zinc/03/56/83/429035683.db2.gz PZQOQFPVSBJWPU-SUMDDJOVSA-N 2 0 317.477 2.531 20 0 DFADRP CCc1ccc(CC[NH2+]C(C)(C)CN2CC[NH+](CC)CC2)cc1 ZINC000451993870 429036238 /nfs/dbraw/zinc/03/62/38/429036238.db2.gz VFFJPAHWNKGKKW-UHFFFAOYSA-N 2 0 317.521 2.797 20 0 DFADRP CC1CC[NH+](CCc2cccc(NC(=O)C3([NH3+])CCC3)c2)CC1 ZINC000423858064 429040430 /nfs/dbraw/zinc/04/04/30/429040430.db2.gz ZTKSGASOHADOMX-UHFFFAOYSA-N 2 0 315.461 2.781 20 0 DFADRP COC[C@H]1CCCC[N@@H+]1C/C=C\C[NH+]1CCCC[C@H]1COC ZINC000452043301 429042542 /nfs/dbraw/zinc/04/25/42/429042542.db2.gz VFDNMLLJHVKAOM-UNWHRZBZSA-N 2 0 310.482 2.544 20 0 DFADRP CO[C@H]1CCC[NH+](C/C=C/C[N@H+]2CCC[C@H](OC)CC2)CC1 ZINC000376066573 429051900 /nfs/dbraw/zinc/05/19/00/429051900.db2.gz ICLZLBCFOLQHQY-ZFRRBFPSSA-N 2 0 310.482 2.544 20 0 DFADRP C[NH2+]C[C@@H](C)C[NH2+]C1CCC([N@H+](C)Cc2ccccc2)CC1 ZINC000423278202 429056270 /nfs/dbraw/zinc/05/62/70/429056270.db2.gz QTUKYKZFNPBDBE-IPJUCJBFSA-N 3 0 303.494 2.875 20 0 DFADRP C[C@H]([NH3+])c1ccc(C[NH2+][C@@H](C)c2ccc(-n3cnnn3)cc2)cc1 ZINC000423291776 429057782 /nfs/dbraw/zinc/05/77/82/429057782.db2.gz JUKRHAAADALSTE-KBPBESRZSA-N 2 0 322.416 2.533 20 0 DFADRP COc1cc(C)c(C[C@@H](C)[NH2+]CC[C@H]2CCC[NH2+]C2)cc1OC ZINC000423285722 429058210 /nfs/dbraw/zinc/05/82/10/429058210.db2.gz ZWJDGDVYVZGMMU-HZPDHXFCSA-N 2 0 320.477 2.923 20 0 DFADRP C[C@H](Cc1ccc(F)cc1Br)[NH2+]CC(C)(C)[NH3+] ZINC000423286700 429058934 /nfs/dbraw/zinc/05/89/34/429058934.db2.gz IHFFAQUYBWFGFK-SECBINFHSA-N 2 0 303.219 2.846 20 0 DFADRP C[C@@H](C[NH3+])C[NH2+][C@H]1CCCOc2cc(Br)ccc21 ZINC000423301209 429059616 /nfs/dbraw/zinc/05/96/16/429059616.db2.gz SUCNHBMOJLSOAX-GWCFXTLKSA-N 2 0 313.239 2.847 20 0 DFADRP Clc1ccccc1C[C@@H](N[C@H]1CCC[NH2+]C1)[C@@H]1CCCO1 ZINC000423309392 429060094 /nfs/dbraw/zinc/06/00/94/429060094.db2.gz ZKZKZUKBKMQAIP-UAGQMJEPSA-N 2 0 308.853 2.772 20 0 DFADRP CC(C)(C(=O)NCCC[NH+]1CCCCC1)[C@@H]([NH3+])c1ccccc1 ZINC000423306618 429061342 /nfs/dbraw/zinc/06/13/42/429061342.db2.gz FDTOLVJBDHRKCO-KRWDZBQOSA-N 2 0 317.477 2.705 20 0 DFADRP [NH3+][C@H](C[NH2+][C@H](Cc1ccccc1Cl)[C@@H]1CCCO1)C1CC1 ZINC000423315533 429062322 /nfs/dbraw/zinc/06/23/22/429062322.db2.gz IWTRUQVYSRXNJQ-ZACQAIPSSA-N 2 0 308.853 2.757 20 0 DFADRP CCC[N@H+](CC)Cc1ccc(C(=O)N(C)[C@H](C[NH3+])C2CC2)cc1 ZINC000423953704 429063259 /nfs/dbraw/zinc/06/32/59/429063259.db2.gz QTXGFZHQSFWGKQ-GOSISDBHSA-N 2 0 317.477 2.728 20 0 DFADRP CCC[NH2+]CCN[C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000423319328 429063573 /nfs/dbraw/zinc/06/35/73/429063573.db2.gz ZWAMQDANVNDTCM-HSALFYBXSA-N 2 0 315.505 2.876 20 0 DFADRP C[C@@H]([NH3+])c1ccc(C(=O)NCCC[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000423311470 429063977 /nfs/dbraw/zinc/06/39/77/429063977.db2.gz TYPGOKBXRMQDNK-LSDHHAIUSA-N 2 0 303.450 2.701 20 0 DFADRP C[C@@H]1C[C@@H]([NH2+]CC2(C)CC[NH2+]CC2)CN1Cc1ccccc1 ZINC000423326418 429064650 /nfs/dbraw/zinc/06/46/50/429064650.db2.gz KMPSDOQQTYPIOC-SJLPKXTDSA-N 2 0 301.478 2.629 20 0 DFADRP COc1cc(F)c([C@@H](C)[NH2+]CC2(C)CC[NH2+]CC2)cc1OC ZINC000423323615 429064737 /nfs/dbraw/zinc/06/47/37/429064737.db2.gz IGHCRLHKTMVKJW-GFCCVEGCSA-N 2 0 310.413 2.883 20 0 DFADRP Fc1cc(Br)cc2c1CC[C@@H]2[NH2+]C[C@H]1CC[NH2+]C1 ZINC000423326546 429065106 /nfs/dbraw/zinc/06/51/06/429065106.db2.gz CJYUHHSDURRJQQ-XPTSAGLGSA-N 2 0 313.214 2.775 20 0 DFADRP [NH3+]C1(CN[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]3CCC[C@@H]32)CCC1 ZINC000423323651 429065647 /nfs/dbraw/zinc/06/56/47/429065647.db2.gz IIOJJDVUXIVVLZ-GUDVDZBRSA-N 2 0 313.489 2.901 20 0 DFADRP Cc1cc(Br)cc2c1[C@@H]([NH2+]C[C@H]1CC[NH2+]C1)CC2 ZINC000423324656 429065953 /nfs/dbraw/zinc/06/59/53/429065953.db2.gz BDRWXFAMINRMAN-FZMZJTMJSA-N 2 0 309.251 2.944 20 0 DFADRP CC[NH+](CC)Cc1cccc(CNC(=O)[C@H]2C[C@@H](C)CC[NH2+]2)c1 ZINC000423327929 429066263 /nfs/dbraw/zinc/06/62/63/429066263.db2.gz NJAWNRKCFMBGDB-MAUKXSAKSA-N 2 0 317.477 2.533 20 0 DFADRP CC[NH+](CC)CC1CCN(C(=O)c2ccc([C@H](C)[NH3+])cc2)CC1 ZINC000423322913 429066280 /nfs/dbraw/zinc/06/62/80/429066280.db2.gz HLYPWIHIDSHSHB-HNNXBMFYSA-N 2 0 317.477 2.900 20 0 DFADRP Cc1ccc(C[N@@H+](C)C[C@@H]2CCN(C)[C@H]2c2cccnc2)nc1 ZINC000434015041 429066722 /nfs/dbraw/zinc/06/67/22/429066722.db2.gz HPWMQAVJMYGAOA-HKUYNNGSSA-N 2 0 310.445 2.910 20 0 DFADRP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+]CC2=CC[NH2+]CC2)CC1 ZINC000423337942 429067028 /nfs/dbraw/zinc/06/70/28/429067028.db2.gz AOWJBBGUTFBWCT-QGZVFWFLSA-N 3 0 313.489 2.591 20 0 DFADRP COCCOc1ccc([C@@H](C)[NH2+]CC2(C)CC[NH2+]CC2)cc1 ZINC000423340217 429067195 /nfs/dbraw/zinc/06/71/95/429067195.db2.gz VNLPFYPZBKYUMS-OAHLLOKOSA-N 2 0 306.450 2.752 20 0 DFADRP C[C@H]([NH3+])c1ccc(C(=O)NCCCC[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000423334633 429068619 /nfs/dbraw/zinc/06/86/19/429068619.db2.gz QXCHMVMEQSQHMD-HOTGVXAUSA-N 2 0 317.477 2.948 20 0 DFADRP Cc1nc(-c2cccnc2)sc1[C@@H](C)[NH2+]C[C@H]1CC[NH2+]C1 ZINC000423334356 429068766 /nfs/dbraw/zinc/06/87/66/429068766.db2.gz IGARKUCBTSGOCD-YPMHNXCESA-N 2 0 302.447 2.774 20 0 DFADRP CC[C@@H](Cc1ccc(OC)c(OC)c1)[NH2+]CC1=CC[NH2+]CC1 ZINC000423348025 429069059 /nfs/dbraw/zinc/06/90/59/429069059.db2.gz RTOBOPXSJPELDS-INIZCTEOSA-N 2 0 304.434 2.534 20 0 DFADRP c1ccc(C[N@H+]2CC[C@H](NC[C@@H]3CC[NH2+]C3)[C@H]3CCC[C@@H]32)cc1 ZINC000423347886 429069760 /nfs/dbraw/zinc/06/97/60/429069760.db2.gz SCDOEALTIIQVMH-ZRNYENFQSA-N 2 0 313.489 2.629 20 0 DFADRP COC(=O)CCC[C@@H]1CCC[C@H]([NH2+]C[C@]2(C)CCC[NH2+]C2)C1 ZINC000423347509 429069930 /nfs/dbraw/zinc/06/99/30/429069930.db2.gz RLPZTYRQRQJSOX-XYJFISCASA-N 2 0 310.482 2.868 20 0 DFADRP CC(C)[C@@H](C(=O)N1CCC[N@H+](CC2CCCCC2)CC1)[C@@H](C)[NH3+] ZINC000423341376 429070497 /nfs/dbraw/zinc/07/04/97/429070497.db2.gz CKHWZVZRWHKDDN-SJLPKXTDSA-N 2 0 323.525 2.720 20 0 DFADRP C[C@H]([NH3+])c1ccc(C(=O)NCC[N@H+](C)C2CCCCC2)cc1 ZINC000423345335 429070769 /nfs/dbraw/zinc/07/07/69/429070769.db2.gz YTXIRCNOILOXCC-AWEZNQCLSA-N 2 0 303.450 2.701 20 0 DFADRP CC(C)[N@@H+]1CCC[C@H](CNC(=O)[C@H]([NH3+])CC2CCCCC2)C1 ZINC000423363733 429071142 /nfs/dbraw/zinc/07/11/42/429071142.db2.gz VCWHTZHGGVUARV-IAGOWNOFSA-N 2 0 309.498 2.521 20 0 DFADRP COc1ccc(C[C@H](C)[NH2+]CC[C@H]2CCC[NH2+]2)c(C)c1OC ZINC000423358497 429071353 /nfs/dbraw/zinc/07/13/53/429071353.db2.gz NOYKVHUHYMOIBP-XJKSGUPXSA-N 2 0 306.450 2.675 20 0 DFADRP c1ccc(C[N@@H+]2C[C@@H]3CCC[C@@H](N[C@@H]4CCC[NH2+]C4)[C@@H]3C2)cc1 ZINC000423361857 429071789 /nfs/dbraw/zinc/07/17/89/429071789.db2.gz SHPWNHIPHGWURQ-MTQWCTHYSA-N 2 0 313.489 2.629 20 0 DFADRP CC(C)[C@H](C(=O)N1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1)[C@H](C)[NH3+] ZINC000423359882 429072618 /nfs/dbraw/zinc/07/26/18/429072618.db2.gz PUHYRJOPVYTESO-XDNAFOTISA-N 2 0 323.525 2.719 20 0 DFADRP CC1(C)CCC[NH2+][C@@H]1C(=O)NC1CC[NH+](CC2CCCC2)CC1 ZINC000423357218 429072802 /nfs/dbraw/zinc/07/28/02/429072802.db2.gz LUPBKNJANNXMPC-QGZVFWFLSA-N 2 0 321.509 2.535 20 0 DFADRP C[C@H]([NH2+][C@H]1CCC[C@@H]([NH3+])C1)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000423369492 429074802 /nfs/dbraw/zinc/07/48/02/429074802.db2.gz DWUOSZBURNWCNK-YUTCNCBUSA-N 2 0 301.434 2.837 20 0 DFADRP CC(C)[N@H+](C)Cc1cccc(CNC(=O)[C@H]2CCC[NH2+][C@H]2C)c1 ZINC000423378797 429076489 /nfs/dbraw/zinc/07/64/89/429076489.db2.gz ZYDHWFWHNWJXDT-YJBOKZPZSA-N 2 0 317.477 2.531 20 0 DFADRP C[C@@H](Cc1ccccc1)[NH+]1CCC(N[C@@H]2CCC[NH2+][C@H]2C)CC1 ZINC000423373786 429077515 /nfs/dbraw/zinc/07/75/15/429077515.db2.gz JNTHNQVMZMYAOR-ABSDTBQOSA-N 2 0 315.505 2.812 20 0 DFADRP CCC[NH+](CCC)CCCC(=O)N1CC[N@@H+](C2CC2)C[C@H](C)C1 ZINC000452169987 429078229 /nfs/dbraw/zinc/07/82/29/429078229.db2.gz HLJTVEQFFHETLI-KRWDZBQOSA-N 2 0 323.525 2.831 20 0 DFADRP CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@H]2CC[NH2+][C@@H](C)C2)c2ccccc21 ZINC000423391990 429079148 /nfs/dbraw/zinc/07/91/48/429079148.db2.gz XGBNAOGMIXEFOT-ZZCKCESHSA-N 2 0 316.445 2.898 20 0 DFADRP C[C@H]([NH2+][C@H]1CCC[C@@H]([NH3+])C1)c1ccc(OCC[NH+](C)C)cc1 ZINC000423398138 429080831 /nfs/dbraw/zinc/08/08/31/429080831.db2.gz TZRQYYJQCOPHRN-UAGQMJEPSA-N 3 0 305.466 2.548 20 0 DFADRP O[C@@H]1C[NH2+]C[C@@H]1C[NH2+][C@H](CCc1ccccc1)c1ccccc1 ZINC000423400671 429081098 /nfs/dbraw/zinc/08/10/98/429081098.db2.gz FXGSJPIKYMADFY-VAMGGRTRSA-N 2 0 310.441 2.530 20 0 DFADRP C[C@@H]1[C@@H](N[C@H]2CCC[NH2+][C@H]2C)CCC[N@@H+]1Cc1ccccc1 ZINC000423398731 429081363 /nfs/dbraw/zinc/08/13/63/429081363.db2.gz VIKHUJOUVGAQKS-NBMJBFSESA-N 2 0 301.478 2.770 20 0 DFADRP CC(C)[C@H]([NH2+]C[C@@H]1C[NH2+]C[C@H]1O)c1ccc(Cl)c(Cl)c1 ZINC000423398579 429081552 /nfs/dbraw/zinc/08/15/52/429081552.db2.gz DBWLTFCKDRHLDI-GLQYFDAESA-N 2 0 317.260 2.860 20 0 DFADRP C[C@H]([NH3+])c1ccc(C(=O)N2CCC([C@H]3[NH2+]CC3(C)C)CC2)cc1 ZINC000424046322 429081976 /nfs/dbraw/zinc/08/19/76/429081976.db2.gz VISDMWAHIOCLBS-SUMWQHHRSA-N 2 0 315.461 2.557 20 0 DFADRP CC(C)(C)C[C@H]([NH2+]C[C@@H]1C[NH2+]C[C@@H]1O)c1ccc(Cl)cc1 ZINC000423409967 429083715 /nfs/dbraw/zinc/08/37/15/429083715.db2.gz RGDMXBLIXKNHTA-BPUTZDHNSA-N 2 0 310.869 2.987 20 0 DFADRP COc1cc2c(cc1OC)[C@H]([NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1)CC2 ZINC000423424768 429085222 /nfs/dbraw/zinc/08/52/22/429085222.db2.gz CXYQPKHMCJDNNK-USXIJHARSA-N 2 0 316.445 2.669 20 0 DFADRP C[C@@H]([NH3+])c1ccc(C(=O)N[C@@H]2CC[N@H+](CC3CCCC3)C2)cc1 ZINC000423422184 429085304 /nfs/dbraw/zinc/08/53/04/429085304.db2.gz YNHXTZPIRWUZKM-RDTXWAMCSA-N 2 0 315.461 2.701 20 0 DFADRP CC[N@@H+]1CC[C@H](N(C)C(=O)c2ccc([C@H](C)[NH3+])cc2)C[C@H]1C ZINC000423422326 429085481 /nfs/dbraw/zinc/08/54/81/429085481.db2.gz KXRPTQPHGXKIIT-KEYYUXOJSA-N 2 0 303.450 2.651 20 0 DFADRP COC[C@@]1(C[NH2+][C@H](C)[C@H]2C[C@@H]2c2ccc(OC)cc2)CCC[NH2+]1 ZINC000423417543 429085646 /nfs/dbraw/zinc/08/56/46/429085646.db2.gz SPLGOFIAGLLNCI-AXUOBQJMSA-N 2 0 318.461 2.545 20 0 DFADRP C[C@H]([NH3+])c1ccc(C(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)cc1 ZINC000423427841 429086527 /nfs/dbraw/zinc/08/65/27/429086527.db2.gz NXQLXEOGCKKVOB-BBRMVZONSA-N 2 0 305.466 2.803 20 0 DFADRP C[C@@H]1C[C@@H]([NH2+][C@@H]2C[C@H]2C2CC[NH2+]CC2)CN1Cc1ccccc1 ZINC000423437465 429086563 /nfs/dbraw/zinc/08/65/63/429086563.db2.gz MFUZRKPOABOBCM-GEALJGNFSA-N 2 0 313.489 2.627 20 0 DFADRP [NH3+][C@@H](CNC(=O)CC[C@H]([NH3+])CC1CCCCC1)c1ccccc1 ZINC000424073071 429087365 /nfs/dbraw/zinc/08/73/65/429087365.db2.gz DZQVMXYIPPPDPM-ROUUACIJSA-N 2 0 317.477 2.881 20 0 DFADRP CC[C@H](NC[C@@H]1C[NH2+]CCCO1)c1cccc(Cl)c1F ZINC000423489752 429097680 /nfs/dbraw/zinc/09/76/80/429097680.db2.gz GNZGEGQERKXWCR-FZMZJTMJSA-N 2 0 300.805 2.898 20 0 DFADRP O=C(NC[C@H]1CCCC[N@@H+]1C1CC1)[C@@H]1CCC[NH+]1C1CCCC1 ZINC000434448991 429087834 /nfs/dbraw/zinc/08/78/34/429087834.db2.gz UKDBQSMVCRBRLI-MSOLQXFVSA-N 2 0 319.493 2.527 20 0 DFADRP CCO[C@@H]1C[C@H]([NH2+][C@H](C)CCCC[NH3+])[C@H]1Oc1ccccc1 ZINC000423444065 429088972 /nfs/dbraw/zinc/08/89/72/429088972.db2.gz WHNPAWBUURYHQX-BZZMCLGOSA-N 2 0 306.450 2.719 20 0 DFADRP CC[N@@H+]1CC[C@@H](N(C)C(=O)Nc2cc(C)cc(C[NH3+])c2)[C@H](C)C1 ZINC000424442228 429143376 /nfs/dbraw/zinc/14/33/76/429143376.db2.gz XPHZLGKTRLSNNU-RHSMWYFYSA-N 2 0 318.465 2.648 20 0 DFADRP COc1cc2[nH+]ccc(N3CC[N@@H+]4CCC[C@@H]4C3)c2cc1OC ZINC000413132229 429143692 /nfs/dbraw/zinc/14/36/92/429143692.db2.gz SXQBYPAWDOHRDS-CYBMUJFWSA-N 2 0 313.401 2.536 20 0 DFADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]C/C=C/c2ccncc2)[C@@H](C)C1 ZINC000487265813 429146149 /nfs/dbraw/zinc/14/61/49/429146149.db2.gz BLUHOANRXORCKW-CKBYELGGSA-N 2 0 317.477 2.821 20 0 DFADRP CC(C)[C@H](NC(=O)CN(C)[C@H]1CCC[NH2+]CC1)c1ccccc1 ZINC000435616963 429152726 /nfs/dbraw/zinc/15/27/26/429152726.db2.gz VCTSTLOFMFFYQY-HKUYNNGSSA-N 2 0 317.477 2.574 20 0 DFADRP CCN(CC(=O)N(c1ccccc1)C(C)C)[C@@H]1CCC[NH2+]CC1 ZINC000435612330 429152836 /nfs/dbraw/zinc/15/28/36/429152836.db2.gz FQNOMNHVNFRULB-QGZVFWFLSA-N 2 0 317.477 2.892 20 0 DFADRP C[NH+]1CCC2(CCC[N@H+](Cc3cccc4c3OCO4)C2)CC1 ZINC000376671425 429157804 /nfs/dbraw/zinc/15/78/04/429157804.db2.gz KUIOGTZEMKRUBB-UHFFFAOYSA-N 2 0 302.418 2.723 20 0 DFADRP CC[NH+]1CCC(NC(=O)CC[C@H]([NH3+])CC2CCCCC2)CC1 ZINC000424145030 429098189 /nfs/dbraw/zinc/09/81/89/429098189.db2.gz YIILDYVFDHKPRA-INIZCTEOSA-N 2 0 309.498 2.665 20 0 DFADRP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)CC[C@H]([NH3+])CC1CCCCC1 ZINC000424138614 429098445 /nfs/dbraw/zinc/09/84/45/429098445.db2.gz CSYFDPBMADCZEQ-HFTRVMKXSA-N 2 0 321.509 2.663 20 0 DFADRP Clc1ccc([C@@H]2CC[C@@H]([NH2+]C[C@@H]3C[NH2+]CCCO3)C2)cc1 ZINC000423494982 429098559 /nfs/dbraw/zinc/09/85/59/429098559.db2.gz TULJFMICBMHIKL-OIISXLGYSA-N 2 0 308.853 2.944 20 0 DFADRP C[C@@H]1C[C@H](N[C@H](C[NH3+])C2CCCC2)C[N@@H+]1Cc1ccccc1 ZINC000423497082 429098672 /nfs/dbraw/zinc/09/86/72/429098672.db2.gz FYXQYIUIFQDRQE-AYOQOUSVSA-N 2 0 301.478 2.757 20 0 DFADRP C[C@@H]1C[C@H](NC(=O)CC[C@@H]([NH3+])CC2CCCCC2)CC[N@@H+]1C ZINC000424139051 429099314 /nfs/dbraw/zinc/09/93/14/429099314.db2.gz DVAPAQPXHNYHTQ-DJIMGWMZSA-N 2 0 309.498 2.663 20 0 DFADRP C[C@@H]([NH2+]C[C@H]1C[NH2+]CCCO1)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000423493959 429099658 /nfs/dbraw/zinc/09/96/58/429099658.db2.gz RLMUTWHGUOZGFX-FVCCEPFGSA-N 2 0 314.882 2.862 20 0 DFADRP C[C@@H](Cc1ccccc1C(F)(F)F)[NH2+]C[C@@H]1C[NH2+]CCCO1 ZINC000423494669 429099756 /nfs/dbraw/zinc/09/97/56/429099756.db2.gz SOHIRFLAMVHJCB-JSGCOSHPSA-N 2 0 316.367 2.605 20 0 DFADRP C[C@@H]([NH2+]C1CCC([NH+]2CCNCC2)CC1)C1C(C)(C)C1(C)C ZINC000423501863 429100550 /nfs/dbraw/zinc/10/05/50/429100550.db2.gz DFALHIOKUSIZMT-QQFBHYJXSA-N 2 0 307.526 2.863 20 0 DFADRP CCN(CCC[NH+](C)C)C(=O)CC[C@@H]([NH3+])CC1CCCCC1 ZINC000424163658 429102610 /nfs/dbraw/zinc/10/26/10/429102610.db2.gz AMPZEQDVTLLCGJ-QGZVFWFLSA-N 2 0 311.514 2.865 20 0 DFADRP CCN(C(=O)CC[C@H](C)[NH3+])[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000434685996 429104270 /nfs/dbraw/zinc/10/42/70/429104270.db2.gz SMRRMUQGFDIGTG-XYJFISCASA-N 2 0 317.477 2.798 20 0 DFADRP [NH3+][C@H](CCC(=O)N1CC[C@H]2C[NH2+]C[C@H]2CC1)CC1CCCCC1 ZINC000424176621 429104927 /nfs/dbraw/zinc/10/49/27/429104927.db2.gz OXWYGFWNKVZFGR-FGTMMUONSA-N 2 0 321.509 2.522 20 0 DFADRP CCC[N@H+](CC)Cc1ccc(C(=O)N2CC[NH2+][C@H](C)[C@H]2C)cc1 ZINC000434671488 429104992 /nfs/dbraw/zinc/10/49/92/429104992.db2.gz UWMMNSWYRRYAKT-HZPDHXFCSA-N 2 0 317.477 2.741 20 0 DFADRP CO[C@@H]1[C@@H](C)[C@@H]([NH2+]CC2([NH3+])C3CC4CC(C3)CC2C4)C1(C)C ZINC000423517793 429106474 /nfs/dbraw/zinc/10/64/74/429106474.db2.gz BXOASPCLFOVNQK-QZMALGSESA-N 2 0 306.494 2.789 20 0 DFADRP C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)CC[C@@H]([NH3+])CC1CCCCC1 ZINC000424181396 429106990 /nfs/dbraw/zinc/10/69/90/429106990.db2.gz RBXUDRPQBXXANG-NXHRZFHOSA-N 2 0 323.525 2.863 20 0 DFADRP CN1CC[C@@H](C[N@H+](C)CC[C@@H]2CCCCO2)[C@@H]1c1cccnc1 ZINC000434743711 429108983 /nfs/dbraw/zinc/10/89/83/429108983.db2.gz RGBSPSYMZJYTJU-FHWLQOOXSA-N 2 0 317.477 2.965 20 0 DFADRP COc1ccsc1[C@@H](C)[NH2+]C1CCC(N2CC[NH2+]CC2)CC1 ZINC000423524237 429109062 /nfs/dbraw/zinc/10/90/62/429109062.db2.gz WWAKXTNQALZPKM-WLYUNCDWSA-N 2 0 323.506 2.624 20 0 DFADRP C([NH2+][C@@H]1[C@H]2CCO[C@@H]2C12CCCC2)C1CC[NH+](C2CC2)CC1 ZINC000376468551 429117508 /nfs/dbraw/zinc/11/75/08/429117508.db2.gz LVOJQRWHSJLYJC-KURKYZTESA-N 2 0 304.478 2.798 20 0 DFADRP Cc1ccc(NC(=O)C[N@H+]2CC3(C[C@@H]2C)CC[NH2+]CC3)cc1C ZINC000424287472 429119111 /nfs/dbraw/zinc/11/91/11/429119111.db2.gz IVXUZLXQUDGYRD-INIZCTEOSA-N 2 0 315.461 2.706 20 0 DFADRP COc1cccc(OCC[N@@H+]2CC3(C[C@H]2C)CC[NH2+]CC3)c1 ZINC000424287084 429119808 /nfs/dbraw/zinc/11/98/08/429119808.db2.gz IKHGTRZQSXUORE-OAHLLOKOSA-N 2 0 304.434 2.538 20 0 DFADRP C[C@@H]1CC2(C[N@@H+]1CCOCCOc1ccccc1)CC[NH2+]CC2 ZINC000424295988 429120662 /nfs/dbraw/zinc/12/06/62/429120662.db2.gz RUJCNMHEYASWOA-QGZVFWFLSA-N 2 0 318.461 2.546 20 0 DFADRP CC(=O)c1ccccc1OCC[N@H+]1CC2(C[C@@H]1C)CC[NH2+]CC2 ZINC000424292973 429121649 /nfs/dbraw/zinc/12/16/49/429121649.db2.gz PBXMTCHCSYSZNJ-HNNXBMFYSA-N 2 0 316.445 2.732 20 0 DFADRP CCOc1ccccc1OCC[N@@H+]1CC2(C[C@H]1C)CC[NH2+]CC2 ZINC000424299937 429122916 /nfs/dbraw/zinc/12/29/16/429122916.db2.gz WGOLCNPSXRDZRH-MRXNPFEDSA-N 2 0 318.461 2.928 20 0 DFADRP FC(F)(F)c1ccc(OCCN(C2CC2)[C@H]2CC[NH2+]C2)cc1 ZINC000435230776 429127291 /nfs/dbraw/zinc/12/72/91/429127291.db2.gz RKIFWAONBBFBSK-AWEZNQCLSA-N 2 0 314.351 2.911 20 0 DFADRP c1ccc(CN2CC[C@H]3C[N@@H+](CC[C@H]4CCC[NH2+]C4)C[C@H]32)cc1 ZINC000424329386 429128012 /nfs/dbraw/zinc/12/80/12/429128012.db2.gz GHSCHHKSZLKJTC-YZGWKJHDSA-N 2 0 313.489 2.582 20 0 DFADRP C[C@H](CCc1ccco1)[NH2+]Cc1cc(C2CC[NH2+]CC2)no1 ZINC000424375608 429131902 /nfs/dbraw/zinc/13/19/02/429131902.db2.gz KNSNCPIJZAWNHR-CYBMUJFWSA-N 2 0 303.406 2.846 20 0 DFADRP C[C@H]1C[C@@H](C[NH3+])C[N@@H+]1Cc1ccccc1OCc1cccnc1 ZINC000435370803 429133394 /nfs/dbraw/zinc/13/33/94/429133394.db2.gz KDHBKBBRBNGLRI-RDJZCZTQSA-N 2 0 311.429 2.830 20 0 DFADRP COc1ccc(-c2ccncc2)cc1C[N@@H+]1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000435373224 429133624 /nfs/dbraw/zinc/13/36/24/429133624.db2.gz CYMUDYBCVILANL-WMLDXEAASA-N 2 0 311.429 2.926 20 0 DFADRP CC[N@H+](Cc1ccc(OCCOC)cc1)[C@@H]1CCC[NH2+]CC1 ZINC000435388918 429135454 /nfs/dbraw/zinc/13/54/54/429135454.db2.gz IBARIECUXYHSKO-QGZVFWFLSA-N 2 0 306.450 2.676 20 0 DFADRP [NH3+]C1CC[NH+](Cc2ccc(-n3ccc(C(F)(F)F)n3)cc2)CC1 ZINC000435387179 429135616 /nfs/dbraw/zinc/13/56/16/429135616.db2.gz XVSADXZQPMFJNS-UHFFFAOYSA-N 2 0 324.350 2.814 20 0 DFADRP Cc1ccc(-c2n[nH]cc2C[NH+]2CCC([C@H]3CCC[NH2+]3)CC2)o1 ZINC000435377098 429136204 /nfs/dbraw/zinc/13/62/04/429136204.db2.gz YBDZZRUGNXMIIJ-MRXNPFEDSA-N 2 0 314.433 2.942 20 0 DFADRP C[C@@H]1C[C@@H](C[NH3+])C[N@@H+]1Cc1ccc(OCc2cccnc2)cc1 ZINC000435376563 429137680 /nfs/dbraw/zinc/13/76/80/429137680.db2.gz RQKKVSFMKWVPAM-QAPCUYQASA-N 2 0 311.429 2.830 20 0 DFADRP COc1cc2[nH+]ccc(N3CC[C@H]([NH3+])C3)c2cc1Br ZINC000424411367 429138534 /nfs/dbraw/zinc/13/85/34/429138534.db2.gz KPWLSTFIPDDOFZ-VIFPVBQESA-N 2 0 322.206 2.543 20 0 DFADRP Cc1cc(C[NH3+])cc(NC(=O)N2CCC[C@@H]2C[NH+]2CCCC2)c1 ZINC000424432656 429141051 /nfs/dbraw/zinc/14/10/51/429141051.db2.gz HVABNEOKIWWFQM-QGZVFWFLSA-N 2 0 316.449 2.546 20 0 DFADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@H](C)[C@H](c1ccccc1)[NH+](C)C ZINC000487195442 429141080 /nfs/dbraw/zinc/14/10/80/429141080.db2.gz CYSJYPVAGXJRNG-KBAYOESNSA-N 2 0 317.477 2.668 20 0 DFADRP Cc1cc(C[NH3+])cc(NC(=O)NC[C@@H](C)[N@@H+]2CCCC[C@H]2C)c1 ZINC000424433312 429141481 /nfs/dbraw/zinc/14/14/81/429141481.db2.gz DOIURGOXYKCPBZ-HUUCEWRRSA-N 2 0 318.465 2.838 20 0 DFADRP Cn1nccc1[C@H]1CCC[C@@H]([NH2+]CC2(C)CC[NH+](C)CC2)C1 ZINC000363922853 429141949 /nfs/dbraw/zinc/14/19/49/429141949.db2.gz GENOBWCBJZFZJW-JKSUJKDBSA-N 2 0 304.482 2.768 20 0 DFADRP O=C(CC[C@@H]1CCC[NH2+]1)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000494680620 429142518 /nfs/dbraw/zinc/14/25/18/429142518.db2.gz IOWCXNRYRCHOIJ-ROUUACIJSA-N 2 0 321.509 2.633 20 0 DFADRP Cn1ccnc1C[N@H+](CCC1CCCC1)[C@H]1CC12CC[NH2+]CC2 ZINC000435699227 429159877 /nfs/dbraw/zinc/15/98/77/429159877.db2.gz YWGXNYBYWRJKHF-KRWDZBQOSA-N 2 0 316.493 2.945 20 0 DFADRP CC[NH+]1CCN(Cc2ccccc2C[NH2+][C@@H]2C[C@@H](C)[C@H]2C)CC1 ZINC000494889140 429161042 /nfs/dbraw/zinc/16/10/42/429161042.db2.gz JTNYENJDFVYVIX-MBOZVWFJSA-N 2 0 315.505 2.958 20 0 DFADRP COc1ccc(C[NH2+]CC2CC[NH+](CCC(C)C)CC2)cn1 ZINC000436309774 429194998 /nfs/dbraw/zinc/19/49/98/429194998.db2.gz VUVMFBUMIQIAEY-UHFFFAOYSA-N 2 0 305.466 2.938 20 0 DFADRP C[C@H](CC(=O)Nc1cccc(Cl)c1)[NH2+]C1CCC([NH3+])CC1 ZINC000437777511 429209080 /nfs/dbraw/zinc/20/90/80/429209080.db2.gz RRTOFJXCAYITSS-LMWSTFAQSA-N 2 0 309.841 2.917 20 0 DFADRP COCCOc1ccc([C@H](C)[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000364438450 429203536 /nfs/dbraw/zinc/20/35/36/429203536.db2.gz AUUXEBZXAQJIMY-CGTJXYLNSA-N 2 0 318.461 2.989 20 0 DFADRP CN(C(=O)CCC1CCCC1)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000365231727 429284208 /nfs/dbraw/zinc/28/42/08/429284208.db2.gz YQORGDNBTHAFRV-GOSISDBHSA-N 2 0 321.509 2.584 20 0 DFADRP Cc1ccc2nc(CN3C[C@@H]4C[N@@H+]5CCCC[C@H]5[C@H]4C3)cn2c1 ZINC000364628429 429236507 /nfs/dbraw/zinc/23/65/07/429236507.db2.gz LIENXRQOLQIHDI-NJAFHUGGSA-N 2 0 310.445 2.559 20 0 DFADRP C[C@@H]1C[C@@H](CNC(=[NH2+])N(C)C2CC2)C[N@@H+]1Cc1ccccc1 ZINC000364637556 429238346 /nfs/dbraw/zinc/23/83/46/429238346.db2.gz ZBPOVZGKROYQDJ-ZBFHGGJFSA-N 2 0 300.450 2.516 20 0 DFADRP Cn1cc(C[N@@H+]2CCC[C@@H](CC[NH3+])C2)c(-c2cccs2)n1 ZINC000442929596 429241090 /nfs/dbraw/zinc/24/10/90/429241090.db2.gz SBBGLWCUHQZSEO-ZDUSSCGKSA-N 2 0 304.463 2.709 20 0 DFADRP C[C@H](CC(=O)Nc1ccccc1)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000294702349 533689487 /nfs/dbraw/zinc/68/94/87/533689487.db2.gz BGKZTINGLANMEP-HZTRTUMWSA-N 2 0 301.434 2.619 20 0 DFADRP C[N@@H+](Cc1nc2ccc(F)cc2o1)C[C@H]1CCc2nccn2C1 ZINC000364709801 429253156 /nfs/dbraw/zinc/25/31/56/429253156.db2.gz PGSMBPGJEFTECH-GFCCVEGCSA-N 2 0 314.364 2.858 20 0 DFADRP C[N@@H+]1CCCC[C@@H]1CCN1CCCN(c2ncccc2F)CC1 ZINC000364747324 429261760 /nfs/dbraw/zinc/26/17/60/429261760.db2.gz AHRNGDPYGAQHHZ-MRXNPFEDSA-N 2 0 320.456 2.607 20 0 DFADRP C[N@H+](CC1CCN(c2cc[nH+]cc2)CC1)C[C@@H]1CCC=CO1 ZINC000364765868 429262754 /nfs/dbraw/zinc/26/27/54/429262754.db2.gz YSANUNWEJURWBB-SFHVURJKSA-N 2 0 301.434 2.923 20 0 DFADRP C[NH+](C)[C@@H]1CCc2cc(NC(=O)[C@@H]3CCC[N@@H+]3C3CC3)ccc21 ZINC000456314414 429274083 /nfs/dbraw/zinc/27/40/83/429274083.db2.gz LSNRSQAWNVMHBH-MSOLQXFVSA-N 2 0 313.445 2.801 20 0 DFADRP C[NH+](C)[C@@H]1CCc2cc(NC(=O)[C@H]3CCC[N@@H+]3C3CC3)ccc21 ZINC000456314416 429274838 /nfs/dbraw/zinc/27/48/38/429274838.db2.gz LSNRSQAWNVMHBH-QZTJIDSGSA-N 2 0 313.445 2.801 20 0 DFADRP COC1(C[N@@H+]2CCC[C@@H](C[NH+]3CCCCCC3)C2)CCOCC1 ZINC000365462941 429323888 /nfs/dbraw/zinc/32/38/88/429323888.db2.gz QMLXKYKUNVHYCX-SFHVURJKSA-N 2 0 324.509 2.770 20 0 DFADRP CC[C@@](C)(O)C[NH2+]C1CC[NH+]([C@@H](C)Cc2ccccc2)CC1 ZINC000449073601 429325280 /nfs/dbraw/zinc/32/52/80/429325280.db2.gz SHCXEKMOYDBQLV-QFBILLFUSA-N 2 0 304.478 2.833 20 0 DFADRP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+]C2CCOCC2)CC1 ZINC000449086018 429326867 /nfs/dbraw/zinc/32/68/67/429326867.db2.gz BEFDVSSBCCWENU-MRXNPFEDSA-N 2 0 302.462 2.851 20 0 DFADRP CC[NH+]1CCN([C@@H](C)C[NH2+]Cc2cccc3ccoc32)CC1 ZINC000449080718 429326948 /nfs/dbraw/zinc/32/69/48/429326948.db2.gz YQAWWSDOICMYHG-HNNXBMFYSA-N 2 0 301.434 2.548 20 0 DFADRP C[NH2+][C@@H](CC(C)(C)C)C(=O)NC[C@H](c1ccc(F)cc1)[NH+](C)C ZINC000449096211 429330871 /nfs/dbraw/zinc/33/08/71/429330871.db2.gz FQHSEHMEGFOGSN-JKSUJKDBSA-N 2 0 323.456 2.569 20 0 DFADRP CCC[NH2+][C@@H](C)C(=O)NC[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000449106753 429333133 /nfs/dbraw/zinc/33/31/33/429333133.db2.gz JKFIUEQAMOGMSD-WMZOPIPTSA-N 2 0 317.477 2.545 20 0 DFADRP C[NH2+][C@H](CC(C)(C)C)C(=O)NC[C@@H]([NH3+])c1ccc(C(C)C)cc1 ZINC000449107604 429335284 /nfs/dbraw/zinc/33/52/84/429335284.db2.gz MZXJAFZHKZCSHQ-IAGOWNOFSA-N 2 0 319.493 2.950 20 0 DFADRP CC[NH+](CC)CC1CCN(C(=O)[C@@H]([NH3+])c2ccccc2C)CC1 ZINC000449132668 429340846 /nfs/dbraw/zinc/34/08/46/429340846.db2.gz BIDKEKBMKXTLRS-SFHVURJKSA-N 2 0 317.477 2.575 20 0 DFADRP CC(C)[C@H](O)C[NH2+]C1CC[NH+]([C@@H](C)Cc2ccccc2)CC1 ZINC000449143298 429343617 /nfs/dbraw/zinc/34/36/17/429343617.db2.gz PYSNAKCKMAVIIO-QFBILLFUSA-N 2 0 304.478 2.689 20 0 DFADRP OC[C@H]1CCC[N@@H+]1CCCC[NH2+]Cc1cccc2ccoc21 ZINC000449146014 429344559 /nfs/dbraw/zinc/34/45/59/429344559.db2.gz AZRDAIDCXJOMOL-QGZVFWFLSA-N 2 0 302.418 2.759 20 0 DFADRP CO[C@H](C[NH+]1CCN(c2cc[nH+]c3ccccc32)CC1)C1CC1 ZINC000425463844 429304229 /nfs/dbraw/zinc/30/42/29/429304229.db2.gz YSFNZJPUPQAOMB-LJQANCHMSA-N 2 0 311.429 2.782 20 0 DFADRP C[C@@H]1C[C@H](NC(=O)C2(C[NH+](C)C)CCCCC2)c2nccn21 ZINC000456436144 429306154 /nfs/dbraw/zinc/30/61/54/429306154.db2.gz VWJUSKPKUNREPZ-KGLIPLIRSA-N 2 0 304.438 2.517 20 0 DFADRP COC(=O)[C@@H](CC[N@@H+]1CCC[C@H]([NH+](C)C)CC1)c1ccccc1 ZINC000425484877 429307837 /nfs/dbraw/zinc/30/78/37/429307837.db2.gz SWCBWSLUMGDOJO-ROUUACIJSA-N 2 0 318.461 2.749 20 0 DFADRP c1ccc(C[N@H+]2CC[C@H]3CN(CC[NH+]4CCCCC4)C[C@H]32)cc1 ZINC000425502904 429312333 /nfs/dbraw/zinc/31/23/33/429312333.db2.gz RDWBBQXBUMODAD-VQTJNVASSA-N 2 0 313.489 2.679 20 0 DFADRP C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)C[C@H]2CCCC[C@H]2[NH3+])C1 ZINC000449337667 429393177 /nfs/dbraw/zinc/39/31/77/429393177.db2.gz QQRXFOGSTLLTFS-YYIAUSFCSA-N 2 0 323.525 2.767 20 0 DFADRP CC(C)[N@H+](C)CC1CC[NH+](C[C@@H](O)Cc2ccccc2)CC1 ZINC000517734533 429395319 /nfs/dbraw/zinc/39/53/19/429395319.db2.gz YKRFAKCWTOMGMF-IBGZPJMESA-N 2 0 304.478 2.642 20 0 DFADRP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1NC(=O)C[C@@H]1CCCC[C@H]1[NH3+] ZINC000449355969 429396719 /nfs/dbraw/zinc/39/67/19/429396719.db2.gz ATECVBUNZKWIDI-FJIDUMEYSA-N 2 0 323.525 2.911 20 0 DFADRP COc1ccc(CC[NH2+][C@@H]2CCC[C@H]([NH3+])C2)c(Cl)c1OC ZINC000517758087 429397447 /nfs/dbraw/zinc/39/74/47/429397447.db2.gz YNMLJKBXYZFYNG-QWHCGFSZSA-N 2 0 312.841 2.759 20 0 DFADRP C[C@@H](CC(=O)Nc1cccc(C(F)(F)F)c1)[NH2+]CC(C)(C)[NH3+] ZINC000517891748 429402652 /nfs/dbraw/zinc/40/26/52/429402652.db2.gz SKPYKSZPUNPSST-JTQLQIEISA-N 2 0 317.355 2.749 20 0 DFADRP C[C@H]([NH2+]CC1=CCOCC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000449405440 429406316 /nfs/dbraw/zinc/40/63/16/429406316.db2.gz YMPRRBMTWLQGCC-QFBILLFUSA-N 2 0 300.446 2.833 20 0 DFADRP Cc1cnc([C@H](C)C[NH2+]Cc2cc(C3CC[NH2+]CC3)no2)s1 ZINC000425894760 429348802 /nfs/dbraw/zinc/34/88/02/429348802.db2.gz GXRKOFZPNHXXQQ-LLVKDONJSA-N 2 0 320.462 2.800 20 0 DFADRP FC(F)(F)CSCC[NH2+]Cc1cc(C2CC[NH2+]CC2)no1 ZINC000425892820 429348845 /nfs/dbraw/zinc/34/88/45/429348845.db2.gz AMQMVDVLUWSAHP-UHFFFAOYSA-N 2 0 323.384 2.527 20 0 DFADRP Cn1nccc1-c1ccccc1C[N@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000507367313 429349332 /nfs/dbraw/zinc/34/93/32/429349332.db2.gz LBCSGSRVTHCMSM-MRXNPFEDSA-N 2 0 312.461 2.861 20 0 DFADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CC2CC(F)(F)C2)[C@H](C)C1 ZINC000425952308 429354980 /nfs/dbraw/zinc/35/49/80/429354980.db2.gz PAVNAMBISXEIFH-UKRRQHHQSA-N 2 0 304.425 2.758 20 0 DFADRP CC1=C[C@H](C)C[C@H](C[NH+]2CCN([C@@H]3CCC[N@H+](C)C3)CC2)C1 ZINC000365665256 429358305 /nfs/dbraw/zinc/35/83/05/429358305.db2.gz FHELSSZFIBMOPX-YTQUADARSA-N 2 0 305.510 2.691 20 0 DFADRP C[NH+](C)CCOc1cc(C[NH2+][C@@H]2CCCC23CCC3)ccn1 ZINC000449223479 429361619 /nfs/dbraw/zinc/36/16/19/429361619.db2.gz ODGUQLGHAXSINR-MRXNPFEDSA-N 2 0 303.450 2.834 20 0 DFADRP C[NH+](C)C1CCN(CC[NH2+]Cc2cccc3ccoc32)CC1 ZINC000449219648 429362419 /nfs/dbraw/zinc/36/24/19/429362419.db2.gz FAHVSRPJESHWIF-UHFFFAOYSA-N 2 0 301.434 2.548 20 0 DFADRP CCN(CC[NH2+][C@@H]1C[C@H](C)[N@H+](C)C[C@H]1C)CCC(F)(F)F ZINC000426052898 429363372 /nfs/dbraw/zinc/36/33/72/429363372.db2.gz ULUVABFTQQFMBC-HZSPNIEDSA-N 2 0 309.420 2.579 20 0 DFADRP C[NH+](C)Cc1cccc(NC(=O)[C@]2(c3ccccc3)CC[NH2+]C2)c1 ZINC000449323930 429387200 /nfs/dbraw/zinc/38/72/00/429387200.db2.gz BTUMEGLNEYXHAV-HXUWFJFHSA-N 2 0 323.440 2.618 20 0 DFADRP C/C=C(\C=C\C(=O)N(C)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1)CC ZINC000366229695 429439038 /nfs/dbraw/zinc/43/90/38/429439038.db2.gz AYGQYAPVFXTSNI-RHPXNXFASA-N 2 0 319.493 2.526 20 0 DFADRP CCOC(=O)[C@@H]1CCCC[C@@H]1[NH2+]C1CC[NH+](C(C)(C)C)CC1 ZINC000449515107 429440295 /nfs/dbraw/zinc/44/02/95/429440295.db2.gz YKVXIAXZUZERHU-CVEARBPZSA-N 2 0 310.482 2.961 20 0 DFADRP CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)C[C@@H]1CCC[NH2+]CC1 ZINC000427290765 429441988 /nfs/dbraw/zinc/44/19/88/429441988.db2.gz WWDMDBMNNXHKGO-IAGOWNOFSA-N 2 0 309.498 2.537 20 0 DFADRP C[C@@H]1CCC[N@H+](CCCCNC(=O)[C@H]2CCCCCC[C@H]2[NH3+])C1 ZINC000518970744 429442339 /nfs/dbraw/zinc/44/23/39/429442339.db2.gz NTNJTVPDMRDIDZ-FGTMMUONSA-N 2 0 323.525 2.912 20 0 DFADRP [NH3+][C@H]1CCC[C@@H]([NH2+]CCCC(=O)Nc2ccc(Cl)cc2)C1 ZINC000518999534 429443686 /nfs/dbraw/zinc/44/36/86/429443686.db2.gz DZEXSSQJFLSLNC-DZGCQCFKSA-N 2 0 309.841 2.918 20 0 DFADRP CC[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)[C@H](C)O ZINC000449540814 429447397 /nfs/dbraw/zinc/44/73/97/429447397.db2.gz JVQXCXCFCAMZFR-BYUNMRKYSA-N 2 0 302.462 2.931 20 0 DFADRP C[N@@H+]1CCC[C@H](CC[NH2+][C@H](c2nnc[nH]2)C2CCCCC2)C1 ZINC000519110501 429448590 /nfs/dbraw/zinc/44/85/90/429448590.db2.gz AGVKMLNWJKMJGI-ZBFHGGJFSA-N 2 0 305.470 2.748 20 0 DFADRP CC1CCC(O)(C[N@H+](C)C2CC[NH+](C3CCOCC3)CC2)CC1 ZINC000366433296 429451053 /nfs/dbraw/zinc/45/10/53/429451053.db2.gz VYQAWJVFXUDSSY-UHFFFAOYSA-N 2 0 324.509 2.503 20 0 DFADRP C[C@H]([NH2+]CCC1(CO)CC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000449576862 429453164 /nfs/dbraw/zinc/45/31/64/429453164.db2.gz BUCSWNLLWXEAAB-FUHWJXTLSA-N 2 0 302.462 2.649 20 0 DFADRP C[N@@H+]1CC[C@@]2(CCN(Cc3cnc([C@H]4CCCO4)s3)C2)C1 ZINC000366489140 429461000 /nfs/dbraw/zinc/46/10/00/429461000.db2.gz KIFCDQVGQTWPDT-GDBMZVCRSA-N 2 0 307.463 2.522 20 0 DFADRP CC(C)C[C@@H](CNC(=O)C[NH2+]C1CC1)[NH2+][C@@H](C)c1ccccc1 ZINC000519541817 429463519 /nfs/dbraw/zinc/46/35/19/429463519.db2.gz MRWNGSSVQWIZFI-YJBOKZPZSA-N 2 0 317.477 2.620 20 0 DFADRP Cc1ccc2ncc(C[NH2+]CCc3nnc(C(C)C)s3)n2c1 ZINC000492102478 429467239 /nfs/dbraw/zinc/46/72/39/429467239.db2.gz FDSFNVIBGJXTDK-UHFFFAOYSA-N 2 0 315.446 2.950 20 0 DFADRP C[NH+](C)C/C=C\C(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC000491861384 429422828 /nfs/dbraw/zinc/42/28/28/429422828.db2.gz AMLCTGVLLYZTMK-SREVYHEPSA-N 2 0 315.461 2.771 20 0 DFADRP CN(CC[N@H+](C)C1CCN(C)CC1)C(=O)/C=C/C1CCCCC1 ZINC000491893694 429429430 /nfs/dbraw/zinc/42/94/30/429429430.db2.gz JEKYRVUHEPLXBS-MDZDMXLPSA-N 2 0 321.509 2.607 20 0 DFADRP COc1cc(CN2CC[C@H]3[NH2+]CC[C@H]3C2)ccc1OC(C)C ZINC000427101640 429431151 /nfs/dbraw/zinc/43/11/51/429431151.db2.gz PVPFEKYUXHPGEA-JKSUJKDBSA-N 2 0 304.434 2.666 20 0 DFADRP COc1ccc(CN2CC[C@@H]3[NH2+]CC[C@@H]3C2)cc1OCC(C)C ZINC000427101210 429431250 /nfs/dbraw/zinc/43/12/50/429431250.db2.gz QDESDMVWWSTMLY-SJORKVTESA-N 2 0 318.461 2.914 20 0 DFADRP Cc1nccn1-c1ccc(C[NH2+][C@H](C)[C@H]2CCC[NH2+]C2)cc1F ZINC000518753837 429431613 /nfs/dbraw/zinc/43/16/13/429431613.db2.gz ODLQPYDGOOELEZ-CJNGLKHVSA-N 2 0 316.424 2.798 20 0 DFADRP COCCC[C@H](C)[NH2+]C[C@H]1CCCN(Cc2cccnc2)C1 ZINC000366219721 429436374 /nfs/dbraw/zinc/43/63/74/429436374.db2.gz STUJJPOGHXTRHB-FUHWJXTLSA-N 2 0 305.466 2.698 20 0 DFADRP C[C@@H]1CCC[C@H](C)N1C(=O)C[N@@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000366866706 429529555 /nfs/dbraw/zinc/52/95/55/429529555.db2.gz RUDHPQPHYFVOPH-CALCHBBNSA-N 2 0 321.509 2.584 20 0 DFADRP CC[N@H+](CCC1CC[NH+](C[C@@H](O)CSC)CC1)CC1CC1 ZINC000492192886 429485711 /nfs/dbraw/zinc/48/57/11/429485711.db2.gz KORCFFLHQHGQRQ-QGZVFWFLSA-N 2 0 314.539 2.544 20 0 DFADRP CCC[N@H+](CC)Cc1ccc(C(=O)N[C@@H]2CC[C@H](C[NH3+])C2)cc1 ZINC000449720010 429488752 /nfs/dbraw/zinc/48/87/52/429488752.db2.gz HZMBKYPNPHBQBU-FUHWJXTLSA-N 2 0 317.477 2.776 20 0 DFADRP Cn1nccc1[C@H]1CCC[C@@H]([NH2+]CCCC[NH+]2CCCC2)C1 ZINC000366748422 429507116 /nfs/dbraw/zinc/50/71/16/429507116.db2.gz NAQASJQNPPQHID-DLBZAZTESA-N 2 0 304.482 2.912 20 0 DFADRP CC1(C)CCC[N@@H+]1CCNC1CC[NH+](CCC(F)(F)F)CC1 ZINC000449782687 429508684 /nfs/dbraw/zinc/50/86/84/429508684.db2.gz LSOACLRTHUMBBL-UHFFFAOYSA-N 2 0 321.431 2.867 20 0 DFADRP Cc1cnc([C@H](C)N2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cn1 ZINC000428386419 429515060 /nfs/dbraw/zinc/51/50/60/429515060.db2.gz DKROMDBRJMMTAU-DAYGRLMNSA-N 2 0 300.450 2.795 20 0 DFADRP c1ccc(CSCC[NH2+]C[C@H]2CN3CCCC[C@@H]3CO2)cc1 ZINC000366815672 429518578 /nfs/dbraw/zinc/51/85/78/429518578.db2.gz YWLJUYCQOUCILP-MSOLQXFVSA-N 2 0 320.502 2.763 20 0 DFADRP C[NH+]1CCC(CCNC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)CC1 ZINC000449837959 429521976 /nfs/dbraw/zinc/52/19/76/429521976.db2.gz YNNUFBXIMYUMAT-SFHVURJKSA-N 2 0 321.509 2.632 20 0 DFADRP C[C@@H](CN[C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1)C[NH+](C)C ZINC000521624741 429558874 /nfs/dbraw/zinc/55/88/74/429558874.db2.gz IVZOEVWHIRPRMS-PKOBYXMFSA-N 2 0 315.505 2.971 20 0 DFADRP CC[N@@H+]1CC[C@H](N(C)C[C@H](C)NC(=O)OC(C)(C)C)C[C@H]1C ZINC000492606924 429575876 /nfs/dbraw/zinc/57/58/76/429575876.db2.gz FVKPSICPXJAZQO-ZNMIVQPWSA-N 2 0 313.486 2.704 20 0 DFADRP C[NH+]1CCC2(CCC[N@H+](CC(=O)Nc3cccc(F)c3)C2)CC1 ZINC000366880939 429532509 /nfs/dbraw/zinc/53/25/09/429532509.db2.gz IXTDXFFTMOATGH-UHFFFAOYSA-N 2 0 319.424 2.572 20 0 DFADRP C[C@@H](C[NH+]1CCC(c2ncc[nH]2)CC1)NC(=O)OC(C)(C)C ZINC000492435385 429538091 /nfs/dbraw/zinc/53/80/91/429538091.db2.gz LYULTFSREKLOFQ-LBPRGKRZSA-N 2 0 308.426 2.502 20 0 DFADRP COC1CCN(C2(C[NH2+]C3CCC(C[NH3+])CC3)CCCC2)CC1 ZINC000521225697 429543072 /nfs/dbraw/zinc/54/30/72/429543072.db2.gz ZQWHCBGKJRFYSU-UHFFFAOYSA-N 2 0 323.525 2.517 20 0 DFADRP Cc1cc(NC(=O)C[NH+]2CCC(C)CC2)ccc1C[NH+](C)C ZINC000458294099 429614913 /nfs/dbraw/zinc/61/49/13/429614913.db2.gz VDQPKEBWISGSBW-UHFFFAOYSA-N 2 0 303.450 2.727 20 0 DFADRP CC(C)n1nccc1[C@H]1OCC[C@@H]1[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000492816126 429621027 /nfs/dbraw/zinc/62/10/27/429621027.db2.gz LDFCBJQUYJOXDY-CVYDXHPNSA-N 2 0 318.465 2.510 20 0 DFADRP C[C@@H]1C[C@H](NC[C@@H]2CC[NH+](C)[C@@H]2c2ccccc2)C[N@@H+]1C1CC1 ZINC000367337194 429623808 /nfs/dbraw/zinc/62/38/08/429623808.db2.gz YDMNYFJPQAYRKZ-HGKSCXNLSA-N 2 0 313.489 2.894 20 0 DFADRP C[C@@H]1C[C@H](NC[C@H]2CC[NH+](C)[C@@H]2c2ccccc2)C[N@@H+]1C1CC1 ZINC000367337197 429624481 /nfs/dbraw/zinc/62/44/81/429624481.db2.gz YDMNYFJPQAYRKZ-PHXBYCTMSA-N 2 0 313.489 2.894 20 0 DFADRP C[C@H](c1ccccc1)[C@@H](O)C[N@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000450438097 429626193 /nfs/dbraw/zinc/62/61/93/429626193.db2.gz JWYDSTRZYDWBSN-NEWSRXKRSA-N 2 0 304.478 2.957 20 0 DFADRP CC[NH+](CC)C[C@@H]1CC[N@H+](C[C@H](O)[C@H](C)c2ccccc2)C1 ZINC000450461206 429631613 /nfs/dbraw/zinc/63/16/13/429631613.db2.gz VDIVKOMRZKWBAL-AOIWGVFYSA-N 2 0 304.478 2.815 20 0 DFADRP CCOCC(C)(C)C[NH2+][C@@H]1CCN(Cc2ccccn2)C[C@H]1C ZINC000367370020 429631768 /nfs/dbraw/zinc/63/17/68/429631768.db2.gz JWQJZXJAXNGGLU-SJLPKXTDSA-N 2 0 319.493 2.944 20 0 DFADRP CC[N@@H+]1CC[C@H](N(C)CC(=O)Nc2ccc(C)cc2F)[C@H](C)C1 ZINC000429809155 429634676 /nfs/dbraw/zinc/63/46/76/429634676.db2.gz QVFVDWKEIVPTJA-PBHICJAKSA-N 2 0 321.440 2.735 20 0 DFADRP CC(C)n1cc(CNC2CC[NH+](Cc3cccs3)CC2)nn1 ZINC000367408641 429642475 /nfs/dbraw/zinc/64/24/75/429642475.db2.gz XHORGWNXMMILAJ-UHFFFAOYSA-N 2 0 319.478 2.675 20 0 DFADRP CC[N@H+](Cc1ccc(C(=O)N[C@H](C[NH3+])CC(C)C)cc1)C1CC1 ZINC000429318580 429599872 /nfs/dbraw/zinc/59/98/72/429599872.db2.gz RNCSPCIGDMXQHK-KRWDZBQOSA-N 2 0 317.477 2.774 20 0 DFADRP CCn1cc(C[NH+]2CCC(C[NH+]3CCC(C)CC3)CC2)cn1 ZINC000367229537 429601927 /nfs/dbraw/zinc/60/19/27/429601927.db2.gz SKVTZLUDLJMBEZ-UHFFFAOYSA-N 2 0 304.482 2.847 20 0 DFADRP CCC[N@H+](CC)Cc1ccc(C(=O)N2C[C@@H](C)[NH2+][C@H](C)C2)cc1 ZINC000429405727 429607366 /nfs/dbraw/zinc/60/73/66/429607366.db2.gz LWRADGRMQDDSIA-HZPDHXFCSA-N 2 0 317.477 2.741 20 0 DFADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@]2(CO)C[C@@H]2c2ccc(F)cc2)[C@H](C)C1 ZINC000429460196 429609365 /nfs/dbraw/zinc/60/93/65/429609365.db2.gz XENYQWQLLOQGNC-OAOYMFHYSA-N 2 0 320.452 2.612 20 0 DFADRP CC(C)[C@H](C(=O)NCc1ccc([C@@H](C)[NH3+])cc1)[NH+]1CCCCC1 ZINC000429499875 429612579 /nfs/dbraw/zinc/61/25/79/429612579.db2.gz BHANOMQHRKEQPJ-CRAIPNDOSA-N 2 0 317.477 2.833 20 0 DFADRP CCCc1ccc2[nH+]ccc(N3C[C@H]4OCC[N@H+](C)[C@@H]4C3)c2c1 ZINC000450387526 429614052 /nfs/dbraw/zinc/61/40/52/429614052.db2.gz JJEKZFPCSPXCTN-RTBURBONSA-N 2 0 311.429 2.707 20 0 DFADRP CC(C)(C)n1cc(CN2C[C@@H]3C[N@@H+]4CCCC[C@H]4[C@@H]3C2)cn1 ZINC000367472166 429655429 /nfs/dbraw/zinc/65/54/29/429655429.db2.gz FOMVICBVWDDZGH-ZACQAIPSSA-N 2 0 302.466 2.554 20 0 DFADRP Cc1cccc(C[NH+]2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)c1C ZINC000367472233 429657157 /nfs/dbraw/zinc/65/71/57/429657157.db2.gz GUEJIPYHHPGGKO-LJQANCHMSA-N 2 0 301.478 2.515 20 0 DFADRP C[N@@H+](CC/C=C\c1ccccc1)CCCN1CC[NH+](C)CC1 ZINC000450630912 429664551 /nfs/dbraw/zinc/66/45/51/429664551.db2.gz AJDFCASWGJPWSJ-WDZFZDKYSA-N 2 0 301.478 2.659 20 0 DFADRP CCOC1CC(C[N@H+](C)C[C@@H]2CCN(C)[C@H]2c2cccnc2)C1 ZINC000367530622 429665671 /nfs/dbraw/zinc/66/56/71/429665671.db2.gz GXIBRASIJVQPDR-UIDNRLJLSA-N 2 0 317.477 2.821 20 0 DFADRP C[C@@H](c1ccccc1)[C@@H](O)C[N@@H+]1CC[C@@H](C)[C@H](n2ccnc2)C1 ZINC000450590052 429653943 /nfs/dbraw/zinc/65/39/43/429653943.db2.gz HTGUUKSVQQCDCA-JFRXWTBNSA-N 2 0 313.445 2.931 20 0 DFADRP CC[NH+](CC)CCOCC[NH2+][C@@H]1CCCc2c(O)cccc21 ZINC000361001989 276100097 /nfs/dbraw/zinc/10/00/97/276100097.db2.gz HSQJGEXXZDIRCS-QGZVFWFLSA-N 2 0 306.450 2.718 20 0 DFADRP CC[NH+](CC)C[C@H]1CCCC[C@H]1[NH2+]CCCc1nc(C)no1 ZINC000360957744 276109323 /nfs/dbraw/zinc/10/93/23/276109323.db2.gz MOJHKUSFTMHVQF-HZPDHXFCSA-N 2 0 308.470 2.801 20 0 DFADRP COCCCOc1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc1 ZINC000367586631 429677390 /nfs/dbraw/zinc/67/73/90/429677390.db2.gz HVDBRSKQRHLFOA-AYHJJNSGSA-N 2 0 318.461 2.817 20 0 DFADRP CC(=O)Nc1ccc(C[NH2+][C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@@H]32)cc1 ZINC000367598208 429681221 /nfs/dbraw/zinc/68/12/21/429681221.db2.gz DDKBYJPJJXDZQQ-KZNAEPCWSA-N 2 0 301.434 2.607 20 0 DFADRP CC[NH+]1CCN([C@H]2CCN(c3cc[nH+]c4ccc(C)cc43)C2)CC1 ZINC000302142460 276202011 /nfs/dbraw/zinc/20/20/11/276202011.db2.gz FQLIKUJUTNKOMS-KRWDZBQOSA-N 2 0 324.472 2.759 20 0 DFADRP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)[NH2+][C@@H](C)COC)CC1 ZINC000127292918 276202735 /nfs/dbraw/zinc/20/27/35/276202735.db2.gz QVAHZQYBOLSFKB-LSDHHAIUSA-N 2 0 323.456 2.653 20 0 DFADRP CCC(C)(C)[NH2+][C@@H](C)C(=O)NC1CC[NH+](C2CCCC2)CC1 ZINC000356946654 276206993 /nfs/dbraw/zinc/20/69/93/276206993.db2.gz ZXAKKCMNRRUBKP-AWEZNQCLSA-N 2 0 309.498 2.676 20 0 DFADRP CSc1ccccc1NC(=O)[C@H](C)N1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000430543864 429689855 /nfs/dbraw/zinc/68/98/55/429689855.db2.gz NLZUINNQQQOJHI-IHRRRGAJSA-N 2 0 321.490 2.795 20 0 DFADRP C[N@@H+]1CC[C@H]([NH2+]Cc2ccnc(N3CCCC3)c2)[C@H]2CCC[C@@H]21 ZINC000367639288 429691442 /nfs/dbraw/zinc/69/14/42/429691442.db2.gz UTFFWAKWNHYVLE-SQNIBIBYSA-N 2 0 314.477 2.644 20 0 DFADRP CCN(C(=O)CC(C)(C)[NH3+])[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000237047002 276298281 /nfs/dbraw/zinc/29/82/81/276298281.db2.gz KNYCDUDGIJDPEU-RDJZCZTQSA-N 2 0 317.477 2.798 20 0 DFADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CCCS2)[C@@H](C)C1 ZINC000362011425 276315769 /nfs/dbraw/zinc/31/57/69/276315769.db2.gz DOWKVMPGITVFEL-JYJNAYRXSA-N 2 0 300.512 2.609 20 0 DFADRP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1[NH2+]CCn1nc(C)cc1C ZINC000450763122 429692732 /nfs/dbraw/zinc/69/27/32/429692732.db2.gz SZJKMPOXSIBNMR-ROUUACIJSA-N 2 0 306.498 2.990 20 0 DFADRP Cc1ccc(CCC[N@@H+]2CCOC3(CCOCC3)CC2)cn1 ZINC000525992125 429693380 /nfs/dbraw/zinc/69/33/80/429693380.db2.gz TULPTMODKXGLRZ-UHFFFAOYSA-N 2 0 304.434 2.594 20 0 DFADRP CC[NH2+]CC1CC[NH+]([C@H](C)c2nc(-c3cccnc3)no2)CC1 ZINC000430572669 429693758 /nfs/dbraw/zinc/69/37/58/429693758.db2.gz GBFFVELNUIFJLF-CYBMUJFWSA-N 2 0 315.421 2.514 20 0 DFADRP CC[N@@H+]1CCCC[C@@H]1C(=O)NCCCC[NH+]1C[C@H](C)C[C@H](C)C1 ZINC000104262123 276361724 /nfs/dbraw/zinc/36/17/24/276361724.db2.gz CXUBIUBGQFROIJ-FGTMMUONSA-N 2 0 323.525 2.735 20 0 DFADRP [NH3+]C[C@@H]1CCC[N@H+](Cc2ccc(OCc3cccnc3)cc2)C1 ZINC000430614514 429700843 /nfs/dbraw/zinc/70/08/43/429700843.db2.gz YXIXZGNOQPTERA-KRWDZBQOSA-N 2 0 311.429 2.831 20 0 DFADRP C[N@H+](CCOC1CCC1)[C@H]1CCC[NH+](CCOC2CCC2)CC1 ZINC000367736166 429708685 /nfs/dbraw/zinc/70/86/85/429708685.db2.gz CQLBKJDEZIRLQO-KRWDZBQOSA-N 2 0 324.509 2.911 20 0 DFADRP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1NC(=O)[C@H]1CCC[C@H]([NH3+])C1 ZINC000430774162 429715573 /nfs/dbraw/zinc/71/55/73/429715573.db2.gz ZFWVUPMBMCPTCF-QAETUUGQSA-N 2 0 309.498 2.521 20 0 DFADRP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1NC(=O)[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000430774164 429715987 /nfs/dbraw/zinc/71/59/87/429715987.db2.gz ZFWVUPMBMCPTCF-TWMKSMIVSA-N 2 0 309.498 2.521 20 0 DFADRP [NH3+][C@@H]1CCCCCC[C@@H]1C(=O)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000430821069 429718309 /nfs/dbraw/zinc/71/83/09/429718309.db2.gz MLBLPZSGNKCMJA-FGTMMUONSA-N 2 0 321.509 2.619 20 0 DFADRP C[C@H](CC(=O)Nc1ccc(CC[NH+](C)C)cc1)[C@@H]1CCC[NH2+]C1 ZINC000430877518 429721760 /nfs/dbraw/zinc/72/17/60/429721760.db2.gz YRYNWHUMNBVIGX-NVXWUHKLSA-N 2 0 317.477 2.755 20 0 DFADRP C[NH2+]CC1CC[NH+]([C@@H](C)C(=O)Nc2cc(Cl)ccc2C)CC1 ZINC000430917433 429723803 /nfs/dbraw/zinc/72/38/03/429723803.db2.gz DEEWFDOTDSAWBA-ZDUSSCGKSA-N 2 0 323.868 2.907 20 0 DFADRP C[C@H]([NH3+])C1CC[NH+](CCC(=O)Nc2ccc(Cl)cc2)CC1 ZINC000430923569 429725284 /nfs/dbraw/zinc/72/52/84/429725284.db2.gz FZZLJEKOKOLFKK-LBPRGKRZSA-N 2 0 309.841 2.728 20 0 DFADRP CCc1ccc(NC(=O)[C@@H](C)[NH+]2CCC(C[NH2+]C)CC2)cc1 ZINC000430935301 429726612 /nfs/dbraw/zinc/72/66/12/429726612.db2.gz STFHKORHEAHVBX-CQSZACIVSA-N 2 0 303.450 2.507 20 0 DFADRP C[C@@H]([NH3+])C1CC[NH+](CC(=O)Nc2cccc3ccccc32)CC1 ZINC000430941296 429727509 /nfs/dbraw/zinc/72/75/09/429727509.db2.gz VMWOSFWSVJULDP-CQSZACIVSA-N 2 0 311.429 2.838 20 0 DFADRP C[C@@H]([NH3+])C1CC[NH+]([C@H](C)c2nc(-c3ccccc3)no2)CC1 ZINC000430962787 429732523 /nfs/dbraw/zinc/73/25/23/429732523.db2.gz HUXYYCOYZZVITQ-CHWSQXEVSA-N 2 0 300.406 2.857 20 0 DFADRP CCOc1ccc(OCC[NH+]2CCC3(CC[NH2+]C3)CC2)cc1 ZINC000431020744 429735831 /nfs/dbraw/zinc/73/58/31/429735831.db2.gz DFKUPXAWANYZEK-UHFFFAOYSA-N 2 0 304.434 2.540 20 0 DFADRP C[NH+]1CCC(N[C@H]2C[C@@H](C3CC3)[N@H+](Cc3ccccc3)C2)CC1 ZINC000367893974 429738806 /nfs/dbraw/zinc/73/88/06/429738806.db2.gz AOKUDSYQTSXWOR-PMACEKPBSA-N 2 0 313.489 2.723 20 0 DFADRP C[NH+](C)CCCN[C@@H]1C[C@H](C2CC2)[N@H+](Cc2ccccc2)C1 ZINC000367909243 429742250 /nfs/dbraw/zinc/74/22/50/429742250.db2.gz FWLZCAJBTYYVJZ-RTBURBONSA-N 2 0 301.478 2.581 20 0 DFADRP Cc1nc2c(n1[C@@H]1CC[NH+](CC[C@@H]3CCC[N@H+]3C)C1)CCCC2 ZINC000432078720 429797780 /nfs/dbraw/zinc/79/77/80/429797780.db2.gz RHPKPFITLBIMMJ-DLBZAZTESA-N 2 0 316.493 2.801 20 0 DFADRP Cc1nc2c(n1[C@H]1CC[NH+](CC[C@@H]3CCC[N@H+]3C)C1)CCCC2 ZINC000432078722 429799183 /nfs/dbraw/zinc/79/91/83/429799183.db2.gz RHPKPFITLBIMMJ-IRXDYDNUSA-N 2 0 316.493 2.801 20 0 DFADRP CCC[C@H](C(=O)N(C)CC[N@H+](C)C1CCN(C)CC1)C(C)C ZINC000486868894 429752828 /nfs/dbraw/zinc/75/28/28/429752828.db2.gz LQBPAXJCJMIMEX-KRWDZBQOSA-N 2 0 311.514 2.543 20 0 DFADRP Cn1cccc1C[N@@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000367958642 429753064 /nfs/dbraw/zinc/75/30/64/429753064.db2.gz FBVVSOLMXAXDBJ-RBUKOAKNSA-N 2 0 309.457 2.979 20 0 DFADRP C[C@@H]([NH2+]Cc1cccc(C(=O)NCC[NH+](C)C)c1)[C@H]1CC1(C)C ZINC000486943354 429755826 /nfs/dbraw/zinc/75/58/26/429755826.db2.gz WKOXDQUVPANDTE-RHSMWYFYSA-N 2 0 317.477 2.502 20 0 DFADRP c1ccc(C[NH+]2CC[C@H]3C[N@@H+](CC4=CCCOC4)C[C@@H]3C2)cc1 ZINC000367967377 429755879 /nfs/dbraw/zinc/75/58/79/429755879.db2.gz UWOOXKBWBMLTCK-PMACEKPBSA-N 2 0 312.457 2.787 20 0 DFADRP c1ccc(C[NH+]2CC[C@@H]3C[N@@H+](CC4=CCCOC4)C[C@@H]3C2)cc1 ZINC000367967378 429756319 /nfs/dbraw/zinc/75/63/19/429756319.db2.gz UWOOXKBWBMLTCK-UXHICEINSA-N 2 0 312.457 2.787 20 0 DFADRP Cc1nc([C@@H]2CCC[N@H+](CCCc3cnccc3C)C2)no1 ZINC000368014393 429766562 /nfs/dbraw/zinc/76/65/62/429766562.db2.gz FUWYSLDJFWMNPE-MRXNPFEDSA-N 2 0 300.406 2.894 20 0 DFADRP CCOc1cc(C[NH2+]CCCn2ccnc2)c(F)cc1OC ZINC000527630138 429769630 /nfs/dbraw/zinc/76/96/30/429769630.db2.gz WUXKTNPDHNOVCU-UHFFFAOYSA-N 2 0 307.369 2.609 20 0 DFADRP C[N@@H+]1CCCC[C@@H]1CCC(=O)NCC(C)(C)[NH+]1CCCCC1 ZINC000431659799 429775042 /nfs/dbraw/zinc/77/50/42/429775042.db2.gz KVJZEPGZAUPMDP-MRXNPFEDSA-N 2 0 309.498 2.632 20 0 DFADRP C[C@@H](CNC(=O)C[C@H](c1ccccc1)[NH+](C)C)C[NH+]1CCCC1 ZINC000431724894 429779661 /nfs/dbraw/zinc/77/96/61/429779661.db2.gz XGIHTAIIPMTDGJ-FUHWJXTLSA-N 2 0 317.477 2.528 20 0 DFADRP C[C@H]1CCCC[N@@H+]1CCNC(=O)C[C@@H](c1ccccc1)[NH+](C)C ZINC000431745479 429780930 /nfs/dbraw/zinc/78/09/30/429780930.db2.gz QSQZPGYXOAJYJS-WMZOPIPTSA-N 2 0 317.477 2.670 20 0 DFADRP CC1CC[NH+](CCCCNC(=O)CC[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000431746153 429781088 /nfs/dbraw/zinc/78/10/88/429781088.db2.gz TXUSIYNOLYKOTD-SFHVURJKSA-N 2 0 323.525 2.879 20 0 DFADRP C[C@@H]1CCC[N@H+](CCCCNC(=O)CC[C@H]2CCCC[NH+]2C)C1 ZINC000431746887 429781600 /nfs/dbraw/zinc/78/16/00/429781600.db2.gz XEDBDYDUJJTULL-QZTJIDSGSA-N 2 0 323.525 2.879 20 0 DFADRP C[C@H]1CCCC[N@@H+]1CCNC(=O)[C@@H]1CCCC[NH+]1C1CCCC1 ZINC000431741295 429781652 /nfs/dbraw/zinc/78/16/52/429781652.db2.gz JKRNNHWOJWCUOO-WMZOPIPTSA-N 2 0 321.509 2.774 20 0 DFADRP Cn1cc(-c2nc(C[NH2+]C3CCC([NH+](C)C)CC3)cs2)cn1 ZINC000527722800 429785296 /nfs/dbraw/zinc/78/52/96/429785296.db2.gz ZBVGGAXDXLBYQY-UHFFFAOYSA-N 2 0 319.478 2.506 20 0 DFADRP CSC1(C[NH+]2CCN(C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)CCC1 ZINC000368107602 429789349 /nfs/dbraw/zinc/78/93/49/429789349.db2.gz GKHJTDJKPPSTPZ-SJPCQFCGSA-N 2 0 323.550 2.515 20 0 DFADRP OC1CC(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC000528020158 429837698 /nfs/dbraw/zinc/83/76/98/429837698.db2.gz VWXMAWHMZXCOFX-PNIOZXJOSA-N 2 0 300.446 2.543 20 0 DFADRP OC1CC(C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC000528019952 429837729 /nfs/dbraw/zinc/83/77/29/429837729.db2.gz VWXMAWHMZXCOFX-LHNANPHGSA-N 2 0 300.446 2.543 20 0 DFADRP Cc1cccc(CCC[NH+]2CCN([C@H]3CCC[N@@H+](C)C3)CC2)c1 ZINC000368401997 429843621 /nfs/dbraw/zinc/84/36/21/429843621.db2.gz IHKPEBOVXYCNBT-FQEVSTJZSA-N 2 0 315.505 2.639 20 0 DFADRP c1c(CC[NH2+][C@@H]2CCc3ccccc3OC2)nc2n1CCCC2 ZINC000493929777 429849411 /nfs/dbraw/zinc/84/94/11/429849411.db2.gz ZRHFMFYTPDFQJY-QGZVFWFLSA-N 2 0 311.429 2.745 20 0 DFADRP c1nc(NC[C@@H]2CC[N@@H+]2C2CCCCC2)cc(N2CCCC2)n1 ZINC000528117450 429850266 /nfs/dbraw/zinc/85/02/66/429850266.db2.gz ZCCHNTBEYHLUJF-INIZCTEOSA-N 2 0 315.465 2.896 20 0 DFADRP C[C@@]1(CNC(=[NH2+])Nc2ccccn2)CC[N@H+](Cc2ccccc2)C1 ZINC000368532450 429863498 /nfs/dbraw/zinc/86/34/98/429863498.db2.gz YUKCTBASEKNICU-IBGZPJMESA-N 2 0 323.444 2.930 20 0 DFADRP CC[NH+]1CCN(c2ccc(C[NH2+][C@@H](C)[C@@H]3CC34CC4)cn2)CC1 ZINC000527853905 429810236 /nfs/dbraw/zinc/81/02/36/429810236.db2.gz UOSSKGOFTFKKHU-RDJZCZTQSA-N 2 0 314.477 2.502 20 0 DFADRP Cc1cccc([C@@H]([NH2+][C@@H](C)CN2CC[NH+](C)CC2)C(C)C)c1 ZINC000527859247 429811002 /nfs/dbraw/zinc/81/10/02/429811002.db2.gz OOBIAEKUENIVLO-HKUYNNGSSA-N 2 0 303.494 2.918 20 0 DFADRP CC(C)[N@@H+]1CC[C@H](C[NH2+]Cc2c[nH]nc2-c2ccsc2)C1 ZINC000573140400 429928906 /nfs/dbraw/zinc/92/89/06/429928906.db2.gz MYZFKRXGOPOWOJ-CYBMUJFWSA-N 2 0 304.463 2.958 20 0 DFADRP Cn1nccc1[C@@H]1CCC[C@H]([NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)C1 ZINC000369142734 429915457 /nfs/dbraw/zinc/91/54/57/429915457.db2.gz JTSXFOSFBHPODP-OAGGEKHMSA-N 2 0 302.466 2.520 20 0 DFADRP Cc1nn(C(C)C)cc1CN1C[C@@H]2C[N@@H+]3CCCC[C@@H]3[C@@H]2C1 ZINC000369186892 429917834 /nfs/dbraw/zinc/91/78/34/429917834.db2.gz GCDOVHCYHSJNFJ-KZNAEPCWSA-N 2 0 302.466 2.689 20 0 DFADRP CC(C)[NH+]1CCN(CCC[N@@H+]2CCC[C@H]2c2cccn2C)CC1 ZINC000369206875 429919306 /nfs/dbraw/zinc/91/93/06/429919306.db2.gz WXRBYKCEDXEPHY-IBGZPJMESA-N 2 0 318.509 2.578 20 0 DFADRP CC(C)c1n[nH]c(CC2CC[NH+](CC[C@H]3CCC[N@@H+]3C)CC2)n1 ZINC000639717023 429957620 /nfs/dbraw/zinc/95/76/20/429957620.db2.gz URNKXVDXMLIITO-MRXNPFEDSA-N 2 0 319.497 2.667 20 0 DFADRP C[C@@H](CO)C[NH+]1CCC2(CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000639726922 429962049 /nfs/dbraw/zinc/96/20/49/429962049.db2.gz QWGIDEVTLUARMK-GOSISDBHSA-N 2 0 316.489 2.993 20 0 DFADRP C[NH+]1CCC2(CC[N@H+](CCc3ccc4c(c3)CCO4)C2)CC1 ZINC000639756968 429970970 /nfs/dbraw/zinc/97/09/70/429970970.db2.gz BCCVASHEJXDPAO-UHFFFAOYSA-N 2 0 300.446 2.582 20 0 DFADRP Cc1ccccc1NC(=O)CC[N@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC000639757778 429971192 /nfs/dbraw/zinc/97/11/92/429971192.db2.gz PHLOTSGLCRMNQU-UHFFFAOYSA-N 2 0 315.461 2.741 20 0 DFADRP COc1ccc(C[N@@H+]2CCC[C@@H]3C[NH+](C)CC[C@@H]32)c(C)c1OC ZINC000558423524 429971381 /nfs/dbraw/zinc/97/13/81/429971381.db2.gz MGPGFIXQKYLENM-SJORKVTESA-N 2 0 318.461 2.928 20 0 DFADRP CC[C@]1(C[NH2+][C@H]2CC[N@H+](C)C[C@@H]2C)OCCc2ccccc21 ZINC000558500704 429975663 /nfs/dbraw/zinc/97/56/63/429975663.db2.gz JTUSYJUWPVWSFE-ZYSHUDEJSA-N 2 0 302.462 2.794 20 0 DFADRP CC(C)[N@H+](C)CC1CC[NH+](Cc2cn(C)nc2C(F)F)CC1 ZINC000558655995 429983250 /nfs/dbraw/zinc/98/32/50/429983250.db2.gz OTEDLVXZGNYYDZ-UHFFFAOYSA-N 2 0 314.424 2.910 20 0 DFADRP CCC(CC)(CNC(=O)[C@H]1C[C@@H]([NH3+])C1)[NH2+][C@@H](C)c1ccccc1 ZINC000573806469 429983900 /nfs/dbraw/zinc/98/39/00/429983900.db2.gz HOJNXLABIPUIHZ-BHYGNILZSA-N 2 0 317.477 2.750 20 0 DFADRP C[C@H]1C[N@H+](C[C@]2(O)CCN(Cc3ccccc3)C2)CCC1(F)F ZINC000639646885 429929978 /nfs/dbraw/zinc/92/99/78/429929978.db2.gz VIBUXIXXOMFEFG-DOTOQJQBSA-N 2 0 324.415 2.601 20 0 DFADRP Clc1cc(C[N@@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)cc2c1OCO2 ZINC000574277509 430028192 /nfs/dbraw/zinc/02/81/92/430028192.db2.gz KZJPBVCWFIVVQT-KBPBESRZSA-N 2 0 322.836 2.890 20 0 DFADRP [NH3+][C@@H]1CCC[C@H]([NH2+]CCc2ccc(OC(F)(F)F)cc2)C1 ZINC000574338983 430033535 /nfs/dbraw/zinc/03/35/35/430033535.db2.gz ISYZLQAWKRCIQV-OLZOCXBDSA-N 2 0 302.340 2.987 20 0 DFADRP C[C@H]1C[C@@H]([NH3+])CC[N@@H+]1CCOc1ccc(C(F)(F)F)cc1 ZINC000574410895 430040031 /nfs/dbraw/zinc/04/00/31/430040031.db2.gz XQPNYLBGGUWMAH-AAEUAGOBSA-N 2 0 302.340 2.896 20 0 DFADRP CCC1([NH+]2CCCC2)CCN(Cc2cc(C)nc(C)n2)CC1 ZINC000639987503 430045655 /nfs/dbraw/zinc/04/56/55/430045655.db2.gz LCPDHWTUQSDEQP-UHFFFAOYSA-N 2 0 302.466 2.934 20 0 DFADRP CCC1([NH+]2CCCC2)CCN(C[C@H](O)Cc2ccccc2)CC1 ZINC000639986771 430046412 /nfs/dbraw/zinc/04/64/12/430046412.db2.gz RLFLAAPUPSDYHW-LJQANCHMSA-N 2 0 316.489 2.930 20 0 DFADRP CCCCNC(=O)[C@@H](C)N1CCC(CC)([NH+]2CCCC2)CC1 ZINC000639988355 430046559 /nfs/dbraw/zinc/04/65/59/430046559.db2.gz PWJIOGKDDOJHPY-MRXNPFEDSA-N 2 0 309.498 2.632 20 0 DFADRP CCC1([NH+]2CCCC2)CCN(C[C@@H](O)COC(C)(C)C)CC1 ZINC000639988450 430046979 /nfs/dbraw/zinc/04/69/79/430046979.db2.gz RTEIHIFJVWAQHL-MRXNPFEDSA-N 2 0 312.498 2.503 20 0 DFADRP CCC[C@@H]1CCCC[C@H]1[NH2+]CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000574499182 430047078 /nfs/dbraw/zinc/04/70/78/430047078.db2.gz MDJXQTPCSMDFHA-CRAIPNDOSA-N 2 0 321.509 2.678 20 0 DFADRP [NH3+]C[C@@H]1CC[C@@H]([NH2+][C@@H]2CCCc3nn(-c4ccccc4)cc32)C1 ZINC000573953155 429998176 /nfs/dbraw/zinc/99/81/76/429998176.db2.gz LJKVFQMVYWUIJT-IIDMSEBBSA-N 2 0 310.445 2.967 20 0 DFADRP CC[NH+](CC)[C@@H](CNC(=O)C[N@@H+]1CCC(C)(C)C1)c1ccco1 ZINC000560097507 430021536 /nfs/dbraw/zinc/02/15/36/430021536.db2.gz NGNDCXCAUVIXHC-HNNXBMFYSA-N 2 0 321.465 2.511 20 0 DFADRP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@@H+]2Cc1ccc2cc[nH]c2c1 ZINC000529537131 430024490 /nfs/dbraw/zinc/02/44/90/430024490.db2.gz PMZVVCKUMTVQKS-QRQLOZEOSA-N 2 0 313.445 2.851 20 0 DFADRP C[C@@H]([NH2+]Cc1cccc(C[NH+]2CCCC2)c1)[C@@H]1CCC[NH2+]C1 ZINC000574268939 430026657 /nfs/dbraw/zinc/02/66/57/430026657.db2.gz KCTUWRYCKCERMZ-VQIMIIECSA-N 3 0 301.478 2.760 20 0 DFADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1N[C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000634732853 430092405 /nfs/dbraw/zinc/09/24/05/430092405.db2.gz QIEKQEYSSMIARJ-BHIYHBOVSA-N 2 0 315.505 2.875 20 0 DFADRP CCOc1cc(C[NH2+][C@H]2CC[NH2+]CC(C)(C)C2)ccc1OC ZINC000634733104 430093585 /nfs/dbraw/zinc/09/35/85/430093585.db2.gz XBPQXVHDRIXHAX-HNNXBMFYSA-N 2 0 306.450 2.962 20 0 DFADRP COc1cccc2c1CC[C@@H]([NH2+][C@@H]1CC[NH2+]CC(C)(C)C1)C2 ZINC000634733959 430093627 /nfs/dbraw/zinc/09/36/27/430093627.db2.gz SQHVGPPTBGDYHU-HZPDHXFCSA-N 2 0 302.462 2.920 20 0 DFADRP C[C@H](N[C@@H](C[NH+](C)C)c1ccc(Cl)c(Cl)c1)C1C[NH2+]C1 ZINC000530226916 430105828 /nfs/dbraw/zinc/10/58/28/430105828.db2.gz UXFROWYXWGDMFM-BONVTDFDSA-N 2 0 316.276 2.794 20 0 DFADRP CC(C)(C(=O)N[C@@H]1CC[NH2+]CC(C)(C)C1)[C@H]([NH3+])c1ccccc1 ZINC000634763477 430106521 /nfs/dbraw/zinc/10/65/21/430106521.db2.gz XMCAVFNFFOPGQH-HZPDHXFCSA-N 2 0 317.477 2.607 20 0 DFADRP Cc1ncc2n1CC[C@H](C(=O)Nc1ccc(-c3c[nH]cn3)cc1)C2 ZINC000562043292 430106633 /nfs/dbraw/zinc/10/66/33/430106633.db2.gz JRAJEOYQIHYTJL-AWEZNQCLSA-N 2 0 321.384 2.783 20 0 DFADRP Cc1ncc2n1CC[C@@H](C(=O)Nc1ccc(-c3c[nH]cn3)cc1)C2 ZINC000562043293 430106780 /nfs/dbraw/zinc/10/67/80/430106780.db2.gz JRAJEOYQIHYTJL-CQSZACIVSA-N 2 0 321.384 2.783 20 0 DFADRP Clc1ccsc1C[NH+]1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000530239301 430106824 /nfs/dbraw/zinc/10/68/24/430106824.db2.gz DXSSLTTWFJWSLI-CYBMUJFWSA-N 2 0 314.882 2.992 20 0 DFADRP Cc1ccc(C[NH+]2CCC(CO[C@@H]3CC[NH2+]C3)CC2)cc1C ZINC000530240796 430106949 /nfs/dbraw/zinc/10/69/49/430106949.db2.gz NXCNTMKGNVBARX-LJQANCHMSA-N 2 0 302.462 2.894 20 0 DFADRP C[C@@H](c1ccccc1F)[NH+]1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000530240953 430107190 /nfs/dbraw/zinc/10/71/90/430107190.db2.gz OGOHVFNXZRJIOL-HOCLYGCPSA-N 2 0 306.425 2.977 20 0 DFADRP COCC1([NH2+]C2CC[NH+]([C@H]3CCCC[C@H]3C)CC2)CCOCC1 ZINC000560557742 430055367 /nfs/dbraw/zinc/05/53/67/430055367.db2.gz YFFLGDKIIGLFSK-AEFFLSMTSA-N 2 0 324.509 2.815 20 0 DFADRP CC1CC[NH+](C[C@H]2CCCN(C(=O)CCCC[NH+](C)C)C2)CC1 ZINC000560601343 430057841 /nfs/dbraw/zinc/05/78/41/430057841.db2.gz AIMSRWQEEDBCMR-GOSISDBHSA-N 2 0 323.525 2.689 20 0 DFADRP CCc1ccccc1[C@H]([NH3+])CN[C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000560966703 430071256 /nfs/dbraw/zinc/07/12/56/430071256.db2.gz LDRBDCRSXVJYLW-NCXUSEDFSA-N 2 0 301.478 2.759 20 0 DFADRP C[C@H]([NH3+])c1ccc(NC(=O)Cc2cccc3c2CC[NH2+]C3)cc1 ZINC000637857646 430150567 /nfs/dbraw/zinc/15/05/67/430150567.db2.gz SCHNHOVMYYMKSF-ZDUSSCGKSA-N 2 0 309.413 2.533 20 0 DFADRP CC[N@H+](C)C[C@H](O)CN(Cc1ccc([C@H]2C[C@H]2C)o1)C1CC1 ZINC000580840999 430156410 /nfs/dbraw/zinc/15/64/10/430156410.db2.gz GEAADRJCOAVRLL-KMFMINBZSA-N 2 0 306.450 2.680 20 0 DFADRP Cn1c2ccccc2nc1N[C@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC000535689086 430165672 /nfs/dbraw/zinc/16/56/72/430165672.db2.gz CXTHPVGYFILAHG-RDJZCZTQSA-N 2 0 314.433 2.629 20 0 DFADRP CC(C)(C)c1cn2c(n1)CC[C@H](Nc1nc3ccccc3[nH]1)C2 ZINC000535692682 430165850 /nfs/dbraw/zinc/16/58/50/430165850.db2.gz KABZNMGKFCXVCZ-LBPRGKRZSA-N 2 0 309.417 2.906 20 0 DFADRP COc1cccc2c1C[C@@H]([NH2+]C1CC[NH+](CC3CC3)CC1)C2 ZINC000581057641 430173975 /nfs/dbraw/zinc/17/39/75/430173975.db2.gz ZFMFZMBVQJRBEO-KRWDZBQOSA-N 2 0 300.446 2.626 20 0 DFADRP Cc1cccc(NC(=O)C[C@@H](C)[NH2+]C[C@@]2(C)CCC[NH2+]C2)c1 ZINC000580639001 430140673 /nfs/dbraw/zinc/14/06/73/430140673.db2.gz AIOOGUYNPNFODR-QAPCUYQASA-N 2 0 303.450 2.691 20 0 DFADRP CC(C)CC[C@H]([NH3+])C(=O)NC[C@@H]([NH3+])c1ccc(C(C)C)cc1 ZINC000637833304 430142135 /nfs/dbraw/zinc/14/21/35/430142135.db2.gz RMHGTBAVEGBTPG-DLBZAZTESA-N 2 0 305.466 2.690 20 0 DFADRP Clc1ccc(C[N@@H+]2CCCN(CC34CC(C3)C[NH2+]4)CC2)cc1 ZINC000634991850 430185104 /nfs/dbraw/zinc/18/51/04/430185104.db2.gz UKWSTHQJSWIOGI-UHFFFAOYSA-N 2 0 319.880 2.600 20 0 DFADRP C[C@H]1CCCN(Cc2cccc(-c3ccc(N)cc3)n2)[C@H]1C[NH3+] ZINC000634990902 430186116 /nfs/dbraw/zinc/18/61/16/430186116.db2.gz HNPNRZSNBHHCDQ-LIRRHRJNSA-N 2 0 310.445 2.890 20 0 DFADRP CC(=O)Nc1ccc([C@H](C)[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000368079523 277083564 /nfs/dbraw/zinc/08/35/64/277083564.db2.gz RMZSYAMEKZGAQT-KKXDTOCCSA-N 2 0 301.434 2.922 20 0 DFADRP COc1cccc(C[C@@H](C)[NH2+]CC[C@@H]([NH3+])Cc2ccccc2)n1 ZINC000635005350 430194587 /nfs/dbraw/zinc/19/45/87/430194587.db2.gz IFGPTTCUCFUJIH-NVXWUHKLSA-N 2 0 313.445 2.571 20 0 DFADRP C[C@@H](NC[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1C)[C@@H]1CCC[NH2+]C1 ZINC000635005166 430194607 /nfs/dbraw/zinc/19/46/07/430194607.db2.gz RXNQACCTIKFPDT-LFGUQSLTSA-N 2 0 315.505 2.732 20 0 DFADRP C[C@@H]1C[C@H]([NH2+]CCCC[NH+]2CCN(C)CC2)c2ccccc21 ZINC000581215610 430187939 /nfs/dbraw/zinc/18/79/39/430187939.db2.gz VIWMKHXFIWKNTE-APWZRJJASA-N 2 0 301.478 2.852 20 0 DFADRP COc1ccc(-c2ccncc2)cc1C[N@@H+]1C[C@H](C)[C@@H](C[NH3+])C1 ZINC000634999162 430189181 /nfs/dbraw/zinc/18/91/81/430189181.db2.gz QUKWPTMCBLZQCN-KSSFIOAISA-N 2 0 311.429 2.784 20 0 DFADRP Brc1cccc2c1C[C@@H]1[C@H]([NH2+][C@@H]3CCC[NH2+]CC3)[C@H]21 ZINC000634997740 430189253 /nfs/dbraw/zinc/18/92/53/430189253.db2.gz RKVDRVMFOJFBIH-SUZRMVIJSA-N 2 0 321.262 2.819 20 0 DFADRP CC(C)(C)c1ccc(C[N@@H+]2CC[C@H](n3cc(C[NH3+])nn3)C2)s1 ZINC000635000316 430189635 /nfs/dbraw/zinc/18/96/35/430189635.db2.gz LTLKXZVYHKGRLI-ZDUSSCGKSA-N 2 0 319.478 2.543 20 0 DFADRP C[C@H]([NH2+][C@@H]1[C@@H]2Cc3c(cccc3Br)[C@@H]21)[C@H]1CC[NH2+]C1 ZINC000634997855 430190292 /nfs/dbraw/zinc/19/02/92/430190292.db2.gz UWMXQEQMEOSYRY-ASAMYOCWSA-N 2 0 321.262 2.675 20 0 DFADRP CCC[C@@H](C[N@@H+]1CC[C@H](n2cc(C[NH3+])nn2)C1)c1ccccc1 ZINC000635000246 430190327 /nfs/dbraw/zinc/19/03/27/430190327.db2.gz KCUKAYHQGYWTSE-WMZOPIPTSA-N 2 0 313.449 2.568 20 0 DFADRP Brc1cccc2c1C[C@@H]1[C@H]([NH2+][C@H]3CCC[NH2+]CC3)[C@H]21 ZINC000634997738 430190600 /nfs/dbraw/zinc/19/06/00/430190600.db2.gz RKVDRVMFOJFBIH-CEFQPYBMSA-N 2 0 321.262 2.819 20 0 DFADRP CNC(=O)c1cccc(C[N@H+](C)CCCC[NH+]2CCCCC2)c1 ZINC000640531207 430191508 /nfs/dbraw/zinc/19/15/08/430191508.db2.gz LPYNQRJZQBHMSO-UHFFFAOYSA-N 2 0 317.477 2.744 20 0 DFADRP [NH3+]C[C@H]1CC[C@H]([NH2+][C@H](c2ccc(F)cc2)c2cnccn2)CC1 ZINC000635003905 430191535 /nfs/dbraw/zinc/19/15/35/430191535.db2.gz FYPXEPWATAWRFX-MZMPZRCHSA-N 2 0 314.408 2.812 20 0 DFADRP C[C@@]1(C[NH2+][C@@H]2[C@H]3Cc4cc(Br)ccc4[C@@H]23)CC[NH2+]C1 ZINC000635001161 430192488 /nfs/dbraw/zinc/19/24/88/430192488.db2.gz IOPCTTAGHVKGBP-ZJIFWQFVSA-N 2 0 321.262 2.676 20 0 DFADRP CN(C)c1ccc(C[N@H+](C)CCCC[NH+]2CCCCC2)cn1 ZINC000640534184 430193168 /nfs/dbraw/zinc/19/31/68/430193168.db2.gz MYDROFZKDIXHBS-UHFFFAOYSA-N 2 0 304.482 2.846 20 0 DFADRP CCO[C@@H]1C[C@@H]([NH2+]CC[C@H]([NH3+])Cc2ccccc2)C12CCC2 ZINC000635007990 430193746 /nfs/dbraw/zinc/19/37/46/430193746.db2.gz QMOBBEKQZBUZPN-RCCFBDPRSA-N 2 0 302.462 2.884 20 0 DFADRP CCc1cc(NC2CC[NH+](Cc3ccncc3)CC2)nc(C)n1 ZINC000542019053 430200853 /nfs/dbraw/zinc/20/08/53/430200853.db2.gz DISBSKCQKUGFRW-UHFFFAOYSA-N 2 0 311.433 2.819 20 0 DFADRP C[C@H](CCc1n[nH]c2ccccc21)[NH2+][C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000581357463 430201244 /nfs/dbraw/zinc/20/12/44/430201244.db2.gz VAEAIIMTKKPBBJ-RBSFLKMASA-N 2 0 300.450 2.862 20 0 DFADRP C[C@@H](Cc1ccsc1)[NH+]1CCN(C[C@H]2CCCC[N@@H+]2C)CC1 ZINC000542159397 430202590 /nfs/dbraw/zinc/20/25/90/430202590.db2.gz CXVBIWRMLZFCRR-FUHWJXTLSA-N 2 0 321.534 2.781 20 0 DFADRP Cn1nccc1[C@@H]1CCC[C@@H]([NH2+]Cc2cccc3c2CC[NH2+]C3)C1 ZINC000635011987 430195100 /nfs/dbraw/zinc/19/51/00/430195100.db2.gz RZOUZGDAYMHZOG-CRAIPNDOSA-N 2 0 324.472 2.882 20 0 DFADRP CO[C@@H]1[C@H](C)[C@H]([NH2+]Cc2cccc3c2CC[NH2+]C3)C12CCC2 ZINC000635008641 430195240 /nfs/dbraw/zinc/19/52/40/430195240.db2.gz FYCOSDUIWPVWQI-JEBQAFNWSA-N 2 0 300.446 2.626 20 0 DFADRP Cc1ccc(CN2CC[C@H]([NH2+][C@@H]3CC[NH2+]CC[C@@H]3C)C2)cc1 ZINC000635011651 430195654 /nfs/dbraw/zinc/19/56/54/430195654.db2.gz GCBZIFJJCQMJTK-YTQUADARSA-N 2 0 301.478 2.547 20 0 DFADRP [NH3+][C@H](CCN[C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1)Cc1ccccc1 ZINC000635008158 430196022 /nfs/dbraw/zinc/19/60/22/430196022.db2.gz QWBZARKLTQDMCX-FUMNGEBKSA-N 2 0 315.505 2.847 20 0 DFADRP C[C@@H]1Cc2ccccc2[C@@H]1Nc1cc(N2CC[NH2+]CC2)cc[nH+]1 ZINC000635010269 430196152 /nfs/dbraw/zinc/19/61/52/430196152.db2.gz RLHNRCBGDIXFQC-AUUYWEPGSA-N 2 0 308.429 2.837 20 0 DFADRP FC(F)(F)[C@@H]1C[C@H]1[NH2+][C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000635012020 430196204 /nfs/dbraw/zinc/19/62/04/430196204.db2.gz ISBYUPFMERFRCI-BHPKHCPMSA-N 2 0 312.335 2.783 20 0 DFADRP C[C@@H]([NH2+][C@H]1CC[C@H](C[NH3+])CC1)c1cccc(N2CCOCC2)c1 ZINC000635009645 430196404 /nfs/dbraw/zinc/19/64/04/430196404.db2.gz YQZYUBDSOWIBPU-JFIYKMOQSA-N 2 0 317.477 2.691 20 0 DFADRP COC[C@@H](CCC[NH3+])[NH2+]Cc1c(Cl)cccc1OC(F)F ZINC000635012783 430197632 /nfs/dbraw/zinc/19/76/32/430197632.db2.gz OTAALJOIODNWBP-SNVBAGLBSA-N 2 0 322.783 2.785 20 0 DFADRP Cc1ccc(CN2CC[C@H]([NH2+][C@H]3CCCC[C@@H]3C[NH3+])C2)cc1 ZINC000635013689 430198176 /nfs/dbraw/zinc/19/81/76/430198176.db2.gz VCKWLSNCPAEJGK-QYZOEREBSA-N 2 0 301.478 2.676 20 0 DFADRP Cc1nc(CC[NH2+]Cc2cn(-c3cc[nH+]cc3)nc2C)c(C)o1 ZINC000542314804 430208696 /nfs/dbraw/zinc/20/86/96/430208696.db2.gz LJTWRSHYXJCEOT-UHFFFAOYSA-N 2 0 311.389 2.513 20 0 DFADRP COc1cccc(C)c1C[N@H+](C)CC1CC[NH+](C[C@@H](C)O)CC1 ZINC000638046793 430219709 /nfs/dbraw/zinc/21/97/09/430219709.db2.gz WVCOAFWHBGRINK-MRXNPFEDSA-N 2 0 320.477 2.528 20 0 DFADRP C[C@@H]1CCCC[N@@H+]1Cc1ccc(NC(=O)CCC2C[NH2+]C2)cc1 ZINC000638064470 430224221 /nfs/dbraw/zinc/22/42/21/430224221.db2.gz UIXZIZVSTCFXPI-OAHLLOKOSA-N 2 0 315.461 2.999 20 0 DFADRP CC1CC[NH+](Cc2ccc(NC(=O)CCC3C[NH2+]C3)cc2)CC1 ZINC000638062561 430224652 /nfs/dbraw/zinc/22/46/52/430224652.db2.gz GLWPOAMPHMBBFV-UHFFFAOYSA-N 2 0 315.461 2.857 20 0 DFADRP C[N@@H+]1CCCC[C@@H]1CCC(=O)N(CCC[NH3+])Cc1ccccc1 ZINC000566205855 430247169 /nfs/dbraw/zinc/24/71/69/430247169.db2.gz FCVBYFPJHPISKL-GOSISDBHSA-N 2 0 317.477 2.629 20 0 DFADRP CC[C@@H]([NH2+]Cc1cn(-c2cc[nH+]cc2)nc1C)C1CCOCC1 ZINC000543414908 430247968 /nfs/dbraw/zinc/24/79/68/430247968.db2.gz DMSSIZNQMXNVNN-GOSISDBHSA-N 2 0 314.433 2.871 20 0 DFADRP CC[N@H+](C)C[C@@H]1CC[NH+](C[C@@H]2CCN(c3ccccc3)C2)C1 ZINC000638133948 430248532 /nfs/dbraw/zinc/24/85/32/430248532.db2.gz LTDZBZNCGSHYJO-ROUUACIJSA-N 2 0 301.478 2.787 20 0 DFADRP CC[N@H+](C)C[C@H](O)CN[C@@H](CC(F)(F)F)c1ccccc1 ZINC000566417316 430256859 /nfs/dbraw/zinc/25/68/59/430256859.db2.gz XFXIZOYSJUOCPE-KGLIPLIRSA-N 2 0 304.356 2.582 20 0 DFADRP CCCC(=O)Nc1ccc(C[NH2+]Cc2cnc(C)n2C)cc1 ZINC000582014260 430260980 /nfs/dbraw/zinc/26/09/80/430260980.db2.gz MAORVDOQXHZMTK-UHFFFAOYSA-N 2 0 300.406 2.757 20 0 DFADRP C[C@H](C[NH2+][C@@H]1CCC[C@@H]([NH3+])C1)c1nc(-c2ccccc2)no1 ZINC000566482070 430265702 /nfs/dbraw/zinc/26/57/02/430265702.db2.gz RRTKKGDUQXXLLJ-BPLDGKMQSA-N 2 0 300.406 2.700 20 0 DFADRP C[N@H+](Cc1ccccc1)[C@H](CN[C@H]1CCC[C@H]([NH3+])C1)C1CC1 ZINC000566482473 430265735 /nfs/dbraw/zinc/26/57/35/430265735.db2.gz NWGLIAREMNIDIB-GBESFXJTSA-N 2 0 301.478 2.757 20 0 DFADRP C[NH+](C)CCOc1cccc(C[NH2+]C[C@H](O)CC2CCCC2)c1 ZINC000582117338 430268495 /nfs/dbraw/zinc/26/84/95/430268495.db2.gz NAMZZZAJQDVEPU-GOSISDBHSA-N 2 0 320.477 2.658 20 0 DFADRP C[NH+](C)CCOc1cccc(C[NH2+]C[C@@H](O)CC2CCCC2)c1 ZINC000582117339 430269876 /nfs/dbraw/zinc/26/98/76/430269876.db2.gz NAMZZZAJQDVEPU-SFHVURJKSA-N 2 0 320.477 2.658 20 0 DFADRP C[NH2+][C@H](C)C(=O)Nc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000582132214 430271193 /nfs/dbraw/zinc/27/11/93/430271193.db2.gz FATHLKIOBYKSKA-CQSZACIVSA-N 2 0 303.450 2.998 20 0 DFADRP CC[NH2+][C@H](C)C(=O)N(CC)[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000638079618 430229200 /nfs/dbraw/zinc/22/92/00/430229200.db2.gz PASJAOLPKUOSCI-JFIYKMOQSA-N 2 0 317.477 2.668 20 0 DFADRP CC[N@H+](C)C[C@H](O)C[NH+]1CCC[C@H]1CCCc1ccccc1 ZINC000581733943 430236683 /nfs/dbraw/zinc/23/66/83/430236683.db2.gz QUSDOZXPQKIZMA-MOPGFXCFSA-N 2 0 304.478 2.786 20 0 DFADRP COc1cncc(C[NH+]2CCC(CCC[NH+](C)C)CC2)c1C ZINC000638119793 430240834 /nfs/dbraw/zinc/24/08/34/430240834.db2.gz AIVKZXUFVCONLQ-UHFFFAOYSA-N 2 0 305.466 2.952 20 0 DFADRP C[C@H](CC(=O)Nc1cccc(F)c1)[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000566092194 430241379 /nfs/dbraw/zinc/24/13/79/430241379.db2.gz OUMCIPWKOAGVAI-XJIUQZFPSA-N 2 0 319.424 2.521 20 0 DFADRP C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)CC[C@@H]([NH3+])c1ccccc1 ZINC000567802048 430290229 /nfs/dbraw/zinc/29/02/29/430290229.db2.gz REEXJIGTTFKAKH-SOLBZPMBSA-N 2 0 317.477 2.846 20 0 DFADRP CCO[C@@H]1C[C@H]([NH2+]CCC[N@@H+]2CCCC[C@H]2C)[C@]12CCCO2 ZINC000638302681 430298354 /nfs/dbraw/zinc/29/83/54/430298354.db2.gz KWOYSOWWCRLULH-XMTFNYHQSA-N 2 0 310.482 2.567 20 0 DFADRP Cn1cc(CCC[NH2+]Cc2ccc(C[NH+]3CCCC3)cc2)cn1 ZINC000638310789 430300338 /nfs/dbraw/zinc/30/03/38/430300338.db2.gz UPLMOZHMHFEYMV-UHFFFAOYSA-N 2 0 312.461 2.738 20 0 DFADRP CC(C)c1[nH+]c(CN2C[C@@H](C)[C@@H]([NH+](C)C)C2)c2ccccn21 ZINC000568033636 430306533 /nfs/dbraw/zinc/30/65/33/430306533.db2.gz UOHHIRGQHUQRSG-PBHICJAKSA-N 2 0 300.450 2.840 20 0 DFADRP CCC(CC)[C@@H](C[NH2+]CCCc1cnn(C)c1)[NH+]1CCCC1 ZINC000638349810 430312298 /nfs/dbraw/zinc/31/22/98/430312298.db2.gz WDFAXEOOCZOKOV-GOSISDBHSA-N 2 0 306.498 2.843 20 0 DFADRP CCC[NH+]1CCC(N(C)C(=O)CC[N@H+](C)C2CCCCC2)CC1 ZINC000545309315 430315354 /nfs/dbraw/zinc/31/53/54/430315354.db2.gz PQDISBFGYCGIPB-UHFFFAOYSA-N 2 0 323.525 2.974 20 0 DFADRP C[NH+](C)C1(CN[C@@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)CC1 ZINC000582605711 430316151 /nfs/dbraw/zinc/31/61/51/430316151.db2.gz PLSTYVQJUCKKKP-GOSISDBHSA-N 2 0 313.489 2.867 20 0 DFADRP CC(C)[C@@H](C[NH2+][C@H](C)C[C@@H]1CCCC(=O)N1)[NH+]1CCC(C)CC1 ZINC000638361710 430316668 /nfs/dbraw/zinc/31/66/68/430316668.db2.gz RKVJUSBKIUHIKT-FGTMMUONSA-N 2 0 323.525 2.780 20 0 DFADRP C[C@@H]([NH2+]CCCC[NH+]1CCN(C)CC1)[C@@H]1CC2CCC1CC2 ZINC000638360946 430317798 /nfs/dbraw/zinc/31/77/98/430317798.db2.gz XIHQUFVXQYBWDY-UGXKVIGPSA-N 2 0 307.526 2.818 20 0 DFADRP CO[C@H](C[NH2+]CCCC[N@@H+]1CCCC[C@H]1C)C1CCOCC1 ZINC000638365572 430318999 /nfs/dbraw/zinc/31/89/99/430318999.db2.gz GBBDADOZVYTKBS-SJLPKXTDSA-N 2 0 312.498 2.672 20 0 DFADRP [NH3+][C@@H]1C[C@H]([NH2+][C@H]2CCN(c3ncccc3F)C2)c2ccccc21 ZINC000582660036 430321295 /nfs/dbraw/zinc/32/12/95/430321295.db2.gz KYOBLXKQGAFYCG-VUCTXSBTSA-N 2 0 312.392 2.534 20 0 DFADRP CC(C)(O)C[NH+]1CCC([NH2+]CC2(c3ccc(F)cc3)CC2)CC1 ZINC000638377307 430321665 /nfs/dbraw/zinc/32/16/65/430321665.db2.gz PINYLSXSFXRUHC-UHFFFAOYSA-N 2 0 320.452 2.682 20 0 DFADRP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+]1CCCC[C@@H]1C[C@@H](C)O ZINC000568177760 430324173 /nfs/dbraw/zinc/32/41/73/430324173.db2.gz NZNHRAISFGFYEQ-RDTXWAMCSA-N 2 0 314.433 2.701 20 0 DFADRP CC[NH+](CC)Cc1cccc(C[NH2+]C[C@@H](OC)[C@@H]2CCOC2)c1 ZINC000638382115 430325027 /nfs/dbraw/zinc/32/50/27/430325027.db2.gz SCLYPSNNEFZGKU-RTBURBONSA-N 2 0 320.477 2.670 20 0 DFADRP C[NH+](C)CCOc1cccc(C[NH2+]CC2CCSCC2)c1 ZINC000638382590 430325143 /nfs/dbraw/zinc/32/51/43/430325143.db2.gz XSVXOYLQVMKHIB-UHFFFAOYSA-N 2 0 308.491 2.860 20 0 DFADRP CCN(Cc1ccc2ccccc2c1)C[C@@H](O)C[N@H+](C)CC ZINC000568168303 430325312 /nfs/dbraw/zinc/32/53/12/430325312.db2.gz CXTKZLSGPCHRHB-IBGZPJMESA-N 2 0 300.446 2.974 20 0 DFADRP CC[NH+](CC)Cc1cccc(C[NH2+]C[C@@H](OC)[C@H]2CCOC2)c1 ZINC000638382112 430325713 /nfs/dbraw/zinc/32/57/13/430325713.db2.gz SCLYPSNNEFZGKU-RBUKOAKNSA-N 2 0 320.477 2.670 20 0 DFADRP Cn1cc(CC[NH2+][C@H]2CCN(C3CC3)[C@H](c3ccccc3)C2)cn1 ZINC000638398439 430330019 /nfs/dbraw/zinc/33/00/19/430330019.db2.gz ZIYQZHNUHRGMSQ-ICSRJNTNSA-N 2 0 324.472 2.920 20 0 DFADRP COc1ccc(C[C@H](C)C[NH2+]CCN2CC[C@@H](C)C2)cc1F ZINC000546009582 430340707 /nfs/dbraw/zinc/34/07/07/430340707.db2.gz MQJJAANDCJYZOS-CABCVRRESA-N 2 0 308.441 2.944 20 0 DFADRP CC(C)C[C@@H](C[NH+](C)C)NC(=O)CC[N@H+](C)C1CCCCC1 ZINC000546015799 430342499 /nfs/dbraw/zinc/34/24/99/430342499.db2.gz WUMZCIVHFLOLCJ-INIZCTEOSA-N 2 0 311.514 2.734 20 0 DFADRP Cc1cn2ccc(C(=O)N3CC[C@H](C)[C@H](n4ccnc4)C3)cc2n1 ZINC000635683409 430347723 /nfs/dbraw/zinc/34/77/23/430347723.db2.gz WRHCIFXVMBNQKW-XJKSGUPXSA-N 2 0 323.400 2.563 20 0 DFADRP CO[C@@H](C[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2C)Cc1ccccc1 ZINC000638701026 430411956 /nfs/dbraw/zinc/41/19/56/430411956.db2.gz NDBMVZPHPWPLRU-XVLXNVKGSA-N 2 0 302.462 2.849 20 0 DFADRP CC1=CCN(CC[NH2+][C@@H](C)CC(=O)N(C)c2ccccc2)CC1 ZINC000546574668 430355439 /nfs/dbraw/zinc/35/54/39/430355439.db2.gz CVIDQZOLMAXARM-KRWDZBQOSA-N 2 0 315.461 2.670 20 0 DFADRP [NH3+]C[C@H]1CCCC[C@H]1NC[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC000583078916 430361780 /nfs/dbraw/zinc/36/17/80/430361780.db2.gz ZNPRJJMZTRDBLI-UKBAYJJMSA-N 2 0 319.468 2.626 20 0 DFADRP c1ccc(CC[N@H+]2CC[C@H](C[NH2+]CCC[C@H]3CCO3)C2)cc1 ZINC000638522090 430367654 /nfs/dbraw/zinc/36/76/54/430367654.db2.gz XAVLUODCPKGBTJ-MOPGFXCFSA-N 2 0 302.462 2.710 20 0 DFADRP C[C@@H](C[C@H]1CCCC(=O)N1)[NH2+]CCCCC[NH+]1CCCCC1 ZINC000638527939 430368084 /nfs/dbraw/zinc/36/80/84/430368084.db2.gz PCIRUCLJNMEYSF-DLBZAZTESA-N 2 0 309.498 2.680 20 0 DFADRP CCO[C@@H]1C[C@@H]([NH2+]CCCCC[NH+]2CCCCC2)[C@]12CCCO2 ZINC000638527929 430368693 /nfs/dbraw/zinc/36/86/93/430368693.db2.gz OBPAKZXJGUYJPK-GUDVDZBRSA-N 2 0 324.509 2.959 20 0 DFADRP C[C@H](C(=O)Nc1cccc(CC[NH+]2CCC(C)CC2)c1)[NH+](C)C ZINC000635759767 430369119 /nfs/dbraw/zinc/36/91/19/430369119.db2.gz HOARAWOWTSRQNC-MRXNPFEDSA-N 2 0 317.477 2.850 20 0 DFADRP CC(C)[N@@H+]1CCC[C@@H](CNC(=O)CC[NH+](C)C2CCCCC2)C1 ZINC000547429976 430392198 /nfs/dbraw/zinc/39/21/98/430392198.db2.gz SQZLKZOYWLUNGW-KRWDZBQOSA-N 2 0 323.525 2.878 20 0 DFADRP C[C@@H]([NH2+][C@@H]1CCCC[C@H]1O)c1cccc(OCC[NH+](C)C)c1 ZINC000186788867 277628881 /nfs/dbraw/zinc/62/88/81/277628881.db2.gz PAXTXTXBISOWJQ-ZTFGCOKTSA-N 2 0 306.450 2.581 20 0 DFADRP CCC[N@H+](CC)Cc1ccc(C(=O)N[C@H]2CC[C@H](C)[NH2+]C2)cc1 ZINC000638644033 430399404 /nfs/dbraw/zinc/39/94/04/430399404.db2.gz NXQIGDKUVXFBTH-YJBOKZPZSA-N 2 0 317.477 2.789 20 0 DFADRP C[C@@H]1CN(Cc2ccccn2)CC[C@H]1[NH2+]Cc1ccc(C[NH3+])cc1 ZINC000583500631 430400721 /nfs/dbraw/zinc/40/07/21/430400721.db2.gz SDCCQPJUBULRIM-OXQOHEQNSA-N 2 0 324.472 2.541 20 0 DFADRP Cc1cc(C)cc(CC[NH2+]C2CC[NH+](CC(C)(C)O)CC2)c1 ZINC000638654678 430400965 /nfs/dbraw/zinc/40/09/65/430400965.db2.gz FDQOSFYRIRDUIL-UHFFFAOYSA-N 2 0 304.478 2.671 20 0 DFADRP C[C@H]1CN(Cc2ccccn2)CC[C@H]1[NH2+]Cc1ccc(C[NH3+])cc1 ZINC000583500630 430400993 /nfs/dbraw/zinc/40/09/93/430400993.db2.gz SDCCQPJUBULRIM-OXJNMPFZSA-N 2 0 324.472 2.541 20 0 DFADRP CC(C)(C)c1nnc(CN[C@@H]2CC[NH2+][C@H](c3ccccc3)C2)[nH]1 ZINC000568868788 430401032 /nfs/dbraw/zinc/40/10/32/430401032.db2.gz LBIDYSVBSDVROZ-CABCVRRESA-N 2 0 313.449 2.685 20 0 DFADRP Cc1ccc(CC[NH2+]C2CC[NH+](C[C@@H]3CCOC3)CC2)cc1 ZINC000638669703 430405042 /nfs/dbraw/zinc/40/50/42/430405042.db2.gz VPNALJIKAOSLGT-SFHVURJKSA-N 2 0 302.462 2.628 20 0 DFADRP [NH3+][C@@H]1CCC[C@H]([NH2+][C@@H]2CCN(c3ccc(Cl)c(F)c3)C2)C1 ZINC000583575434 430407194 /nfs/dbraw/zinc/40/71/94/430407194.db2.gz FKYAVXHJNHFUQX-FRRDWIJNSA-N 2 0 311.832 2.917 20 0 DFADRP CN(Cc1ccccc1)[C@@H](C[NH2+]C[C@H](O)C(C)(C)C)C1CC1 ZINC000568976626 430411138 /nfs/dbraw/zinc/41/11/38/430411138.db2.gz ADNQCDOGKQZUAH-ROUUACIJSA-N 2 0 304.478 2.894 20 0 DFADRP CCC(C)(C)[NH2+][C@@H](C)C(=O)N(C)CCCC[NH+]1CCCCC1 ZINC000641673841 430440147 /nfs/dbraw/zinc/44/01/47/430440147.db2.gz YFTRLHQDQZMIHC-INIZCTEOSA-N 2 0 311.514 2.878 20 0 DFADRP C[NH+](C)CCN(C(=O)CC[N@H+](C)C1CCCCC1)C1CCCC1 ZINC000548061866 430443554 /nfs/dbraw/zinc/44/35/54/430443554.db2.gz IEYWZLSWORTROG-UHFFFAOYSA-N 2 0 323.525 2.974 20 0 DFADRP CCO[C@@H]1C[C@@H]([NH2+]Cc2cccc(C[NH+](C)C)c2)[C@]12CCCO2 ZINC000638851750 430455288 /nfs/dbraw/zinc/45/52/88/430455288.db2.gz RPKYGWHCNKFRSA-GUDVDZBRSA-N 2 0 318.461 2.564 20 0 DFADRP C[C@H]([NH3+])CCC(=O)N[C@H]1CCCCC[N@H+](Cc2ccccc2)C1 ZINC000638852288 430455911 /nfs/dbraw/zinc/45/59/11/430455911.db2.gz XBYUYBQOTOSBHD-WMZOPIPTSA-N 2 0 317.477 2.675 20 0 DFADRP CSc1ccc(CNc2c[nH+]ccc2N2CC[NH+](C)CC2)o1 ZINC000641744396 430458626 /nfs/dbraw/zinc/45/86/26/430458626.db2.gz XECJWUHANPRNOY-UHFFFAOYSA-N 2 0 318.446 2.760 20 0 DFADRP CCC1([NH+]2CCCC2)CCN(C(=O)c2ccc(C[NH3+])cc2)CC1 ZINC000638861783 430459084 /nfs/dbraw/zinc/45/90/84/430459084.db2.gz FULVZSMKEXZUMM-UHFFFAOYSA-N 2 0 315.461 2.626 20 0 DFADRP C[C@H](CN[C@H]1CC[N@H+](C2CC2)[C@H](c2ccccc2)C1)[NH+](C)C ZINC000638867171 430460933 /nfs/dbraw/zinc/46/09/33/430460933.db2.gz YZRAWBIDCTYJJM-AYBZRNKSSA-N 2 0 301.478 2.894 20 0 DFADRP COc1cccc(N2CCC[C@H]([NH2+][C@H]3CCC[C@H]([NH3+])C3)C2)c1 ZINC000584183158 430466677 /nfs/dbraw/zinc/46/66/77/430466677.db2.gz WRMJWSOMHYSXOB-JYJNAYRXSA-N 2 0 303.450 2.524 20 0 DFADRP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@H](c1ccccc1)C1CCC1 ZINC000641774078 430468222 /nfs/dbraw/zinc/46/82/22/430468222.db2.gz BLBRQHNVQWIVCE-VQIMIIECSA-N 2 0 301.478 2.753 20 0 DFADRP CC1(C)[C@@H]([NH3+])C[C@@H]1[NH2+]CCc1nc(-c2ccc(Cl)cc2)no1 ZINC000641802603 430475565 /nfs/dbraw/zinc/47/55/65/430475565.db2.gz NLSFCUANYOTQLO-STQMWFEESA-N 2 0 320.824 2.648 20 0 DFADRP CC1(C)[C@H]([NH3+])C[C@@H]1[NH2+]CCc1nc(-c2ccc(Cl)cc2)no1 ZINC000641802601 430475696 /nfs/dbraw/zinc/47/56/96/430475696.db2.gz NLSFCUANYOTQLO-OLZOCXBDSA-N 2 0 320.824 2.648 20 0 DFADRP CC1(C)[C@H]([NH2+]Cc2ccc(OCC(F)(F)F)cc2)C[C@@H]1[NH3+] ZINC000641803534 430475750 /nfs/dbraw/zinc/47/57/50/430475750.db2.gz SPUZCKGDCAHSBZ-QWHCGFSZSA-N 2 0 302.340 2.843 20 0 DFADRP CC1(C)[C@H]([NH2+]Cc2ccc(OCc3cccnc3)cc2)C[C@@H]1[NH3+] ZINC000641801353 430476527 /nfs/dbraw/zinc/47/65/27/430476527.db2.gz BNDGVYYOGNKNGI-ZWKOTPCHSA-N 2 0 311.429 2.876 20 0 DFADRP C[C@@H]1Cc2ccccc2N1C1CC[NH+](CC[C@@H]2CC[NH2+]C2)CC1 ZINC000641807066 430478059 /nfs/dbraw/zinc/47/80/59/430478059.db2.gz GRGWATFCQYEYSV-SJORKVTESA-N 2 0 313.489 2.902 20 0 DFADRP C[NH+]1CCC2(CC[N@H+](CCC(=O)Nc3cccc(F)c3)C2)CC1 ZINC000585116446 430479391 /nfs/dbraw/zinc/47/93/91/430479391.db2.gz WJNGTPZTWFKIOM-UHFFFAOYSA-N 2 0 319.424 2.572 20 0 DFADRP CC(C)[C@@H](C[NH2+]C1CC[NH+](CC(C)(C)O)CC1)c1cccnc1 ZINC000638732057 430419808 /nfs/dbraw/zinc/41/98/08/430419808.db2.gz KAANVWDMLBMZHQ-GOSISDBHSA-N 2 0 319.493 2.646 20 0 DFADRP CO[C@@H](C[NH2+]CCC[NH+](C(C)C)C(C)C)C1CCOCC1 ZINC000638733629 430420377 /nfs/dbraw/zinc/42/03/77/430420377.db2.gz IONRGDYXEFQAHJ-KRWDZBQOSA-N 2 0 300.487 2.527 20 0 DFADRP [NH3+][C@@H]1CCCCC[C@H]1NC[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC000569110880 430425210 /nfs/dbraw/zinc/42/52/10/430425210.db2.gz SKCXHIGVDHRHIW-JCHJZTRSSA-N 2 0 319.468 2.768 20 0 DFADRP C[C@@H](O)CC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H]2CCC[C@H]21 ZINC000583794409 430429264 /nfs/dbraw/zinc/42/92/64/430429264.db2.gz OWTZUMMTUIKCBY-LULLPPNCSA-N 2 0 302.462 2.790 20 0 DFADRP CO[C@@](C)(C[NH+]1CCC(CCC[NH+]2CCOCC2)CC1)C1CC1 ZINC000638953928 430482386 /nfs/dbraw/zinc/48/23/86/430482386.db2.gz BCWSVSXZPRLVFA-IBGZPJMESA-N 2 0 324.509 2.626 20 0 DFADRP C(O[C@@H]1CC[NH2+]C1)C1CC[NH+](C[C@H]2CCC3(CCCC3)O2)CC1 ZINC000641819080 430483035 /nfs/dbraw/zinc/48/30/35/430483035.db2.gz HJQQWRGMOFINQE-QZTJIDSGSA-N 2 0 322.493 2.569 20 0 DFADRP C[C@@H]([NH2+]C1CC(n2cccn2)C1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000638973181 430485230 /nfs/dbraw/zinc/48/52/30/430485230.db2.gz YFIDRLXOTSZYTK-MHAAMQRSSA-N 2 0 302.466 2.829 20 0 DFADRP CCC[N@H+](CC)C[C@@H](C)NC(=O)Nc1cccc2c1CC[NH2+]C2 ZINC000569817127 430488254 /nfs/dbraw/zinc/48/82/54/430488254.db2.gz MGIJEWFEDJJCCQ-CQSZACIVSA-N 2 0 318.465 2.574 20 0 DFADRP CC[NH2+]CCCN[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000569833909 430489758 /nfs/dbraw/zinc/48/97/58/430489758.db2.gz HXTGVZPFIOODRU-REPLKXPHSA-N 2 0 301.478 2.771 20 0 DFADRP COc1cc(C[N@@H+]2CCC[C@H]2Cn2ccnc2)c(Cl)cc1O ZINC000639042738 430500220 /nfs/dbraw/zinc/50/02/20/430500220.db2.gz JFPCITCZNKXPHR-ZDUSSCGKSA-N 2 0 321.808 2.915 20 0 DFADRP C[NH+](C)Cc1cccc(C(=O)N2CC[C@@H](C[NH3+])c3ccccc32)c1 ZINC000639064057 430509650 /nfs/dbraw/zinc/50/96/50/430509650.db2.gz BWXNPFRAXFROEY-KRWDZBQOSA-N 2 0 323.440 2.841 20 0 DFADRP CO[C@@H](C[NH2+]C(C)(C)CC[NH+]1CCCCCC1)[C@H]1CCOC1 ZINC000639067451 430510456 /nfs/dbraw/zinc/51/04/56/430510456.db2.gz XRNVTXACBAVMSZ-IRXDYDNUSA-N 2 0 312.498 2.672 20 0 DFADRP CC[NH+]1CCC([NH2+]CCC(=O)Nc2cccc(Cl)c2)CC1 ZINC000642516250 430516444 /nfs/dbraw/zinc/51/64/44/430516444.db2.gz DZTKBOVGFVNWRW-UHFFFAOYSA-N 2 0 309.841 2.743 20 0 DFADRP CO[C@@H](Cc1ccccc1)C[N@@H+]1CCCC12CC[NH+](C)CC2 ZINC000639082828 430517394 /nfs/dbraw/zinc/51/73/94/430517394.db2.gz YAIUWLVSQDKHQS-SFHVURJKSA-N 2 0 302.462 2.804 20 0 DFADRP CCO[C@H](C[NH2+]C1CC[NH+](CC(C)(C)O)CC1)c1ccccc1 ZINC000639109079 430528216 /nfs/dbraw/zinc/52/82/16/430528216.db2.gz PMYDGWHXFCNSER-GOSISDBHSA-N 2 0 320.477 2.589 20 0 DFADRP C[C@@H]1C[C@@H](Nc2cccc3c2OCC[C@@H]3[NH+](C)C)CC[N@@H+]1C ZINC000639114628 430530089 /nfs/dbraw/zinc/53/00/89/430530089.db2.gz GMEZFRCLRCFAJY-KEYYUXOJSA-N 2 0 303.450 2.966 20 0 DFADRP CC(C)[N@@H+]1CC[C@@H](CNCc2cnc([C@@H]3CCCO3)s2)C1 ZINC000549867870 430533990 /nfs/dbraw/zinc/53/39/90/430533990.db2.gz YRQUQFJDMLIOFF-ZFWWWQNUSA-N 2 0 309.479 2.815 20 0 DFADRP COc1ccc([C@H](NC[C@@H]2CCC[C@H]([NH3+])C2)[C@H]2CCC[NH2+]2)cc1 ZINC000570389242 430539274 /nfs/dbraw/zinc/53/92/74/430539274.db2.gz ZXBKADVNBMAUOI-HYEGPXJVSA-N 2 0 317.477 2.595 20 0 DFADRP Cc1nc2sccn2c1C[N@@H+](C)CCCc1cncn1C ZINC000570525851 430551396 /nfs/dbraw/zinc/55/13/96/430551396.db2.gz XRTQKWCXBAMPLV-UHFFFAOYSA-N 2 0 303.435 2.502 20 0 DFADRP Cc1scc(C[NH+]2CCC(C[NH+]3CCN(C)CC3)CC2)c1C ZINC000639169103 430553482 /nfs/dbraw/zinc/55/34/82/430553482.db2.gz CFGCFPHFZBKIMX-UHFFFAOYSA-N 2 0 321.534 2.824 20 0 DFADRP COc1cc(C[N@H+](C)CCCn2ccnc2)c(Cl)cc1O ZINC000639174789 430555518 /nfs/dbraw/zinc/55/55/18/430555518.db2.gz GLBVHRZPMDIVHU-UHFFFAOYSA-N 2 0 309.797 2.773 20 0 DFADRP Cn1ccnc1[C@H](C1CC1)[N@@H+]1CC[C@H](C2CC[NH+](C)CC2)C1 ZINC000639176482 430557075 /nfs/dbraw/zinc/55/70/75/430557075.db2.gz HVCGXSNCFMCGBT-IRXDYDNUSA-N 2 0 302.466 2.535 20 0 DFADRP CO[C@H](Cc1ccccc1)C[N@@H+]1CCC[C@H]2C[NH+](C)CC[C@@H]21 ZINC000639180278 430557907 /nfs/dbraw/zinc/55/79/07/430557907.db2.gz WDOONZKUVDOURU-OTWHNJEPSA-N 2 0 302.462 2.660 20 0 DFADRP CO[C@@H](Cc1ccccc1)C[N@@H+]1CC[C@@H](C2CC[NH+](C)CC2)C1 ZINC000639177767 430559703 /nfs/dbraw/zinc/55/97/03/430559703.db2.gz WTNBWQMHHDFPMV-UXHICEINSA-N 2 0 316.489 2.908 20 0 DFADRP CCO[C@@H]1C[C@@H]([NH2+]CCCCC[NH+]2CCCC2)[C@]12CCCO2 ZINC000639210454 430573778 /nfs/dbraw/zinc/57/37/78/430573778.db2.gz KYWDHZBXNBXVJS-KZNAEPCWSA-N 2 0 310.482 2.569 20 0 DFADRP Cc1cc(C)c([C@H](C)[N@H+]2C[C@@H](c3cnn(C)c3)[C@H](N)C2)c(C)c1 ZINC000570793372 430575854 /nfs/dbraw/zinc/57/58/54/430575854.db2.gz XCMJLGIDTRVOHB-RYQLBKOJSA-N 2 0 312.461 2.833 20 0 DFADRP COc1nc2ccccc2cc1C[N@@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000571088127 430601822 /nfs/dbraw/zinc/60/18/22/430601822.db2.gz MBBGPXOYHZPSOQ-BHYGNILZSA-N 2 0 311.429 2.803 20 0 DFADRP C[C@H]([NH2+]C[C@@H]1CCN(c2ccc(Cl)cc2)C1)[C@@H]1CCC[NH2+]1 ZINC000643453116 430601845 /nfs/dbraw/zinc/60/18/45/430601845.db2.gz IEXISEQASNGMPT-ZQIUZPCESA-N 2 0 307.869 2.896 20 0 DFADRP CC[NH+](CC)Cc1ccc(C(=O)NC2CCC([NH+](C)C)CC2)o1 ZINC000643325967 430583535 /nfs/dbraw/zinc/58/35/35/430583535.db2.gz NITYOAYCASZWPX-UHFFFAOYSA-N 2 0 321.465 2.724 20 0 DFADRP C[C@@H]([NH2+][C@@H]1CCN(C2CC[NH+](C)CC2)C1)c1ccncc1Cl ZINC000643346177 430588053 /nfs/dbraw/zinc/58/80/53/430588053.db2.gz GTIWAWFKASKGQK-ZIAGYGMSSA-N 2 0 322.884 2.554 20 0 DFADRP c1cn(-c2csc(C[N@@H+]3CC[C@@]4(C3)CCC[NH2+]C4)c2)cn1 ZINC000570927693 430589634 /nfs/dbraw/zinc/58/96/34/430589634.db2.gz GPSJBVXRGFAZEQ-INIZCTEOSA-N 2 0 302.447 2.509 20 0 DFADRP CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)[C@H]1CCCCC[NH2+]1 ZINC000570928315 430589790 /nfs/dbraw/zinc/58/97/90/430589790.db2.gz CMOUCUHGBSFOOX-GOSISDBHSA-N 2 0 317.477 2.629 20 0 DFADRP Cn1cnc(CC[NH2+][C@@H]2CCN(C3CC3)[C@H](c3ccccc3)C2)c1 ZINC000639256421 430589962 /nfs/dbraw/zinc/58/99/62/430589962.db2.gz ZHNZTDOZZDDXDD-XLIONFOSSA-N 2 0 324.472 2.920 20 0 DFADRP Cn1cnc(CC[NH2+][C@H]2CCN(C3CC3)[C@H](c3ccccc3)C2)c1 ZINC000639256419 430590197 /nfs/dbraw/zinc/59/01/97/430590197.db2.gz ZHNZTDOZZDDXDD-PXNSSMCTSA-N 2 0 324.472 2.920 20 0 DFADRP [NH3+]C1CCC([NH2+]C[C@@H]2CCN(c3ccc(F)c(F)c3)C2)CC1 ZINC000643453294 430602160 /nfs/dbraw/zinc/60/21/60/430602160.db2.gz ZDUINEFOIFYYBN-HSBZDZAISA-N 2 0 309.404 2.651 20 0 DFADRP CC[NH+]1CCC(N2CCCN(C(=O)C(C)(CC)CC)CC2)CC1 ZINC000643362387 430592540 /nfs/dbraw/zinc/59/25/40/430592540.db2.gz BNKHQXFYDRLFOQ-UHFFFAOYSA-N 2 0 323.525 2.831 20 0 DFADRP Cc1nc(CNC[C@H]2CC[N@H+](CCc3ccccc3)C2)[nH]c1C ZINC000570986999 430594409 /nfs/dbraw/zinc/59/44/09/430594409.db2.gz VBLKTYZLZVUYST-GOSISDBHSA-N 2 0 312.461 2.681 20 0 DFADRP O[C@@H]1CC[N@H+](Cc2ccccc2C[NH2+][C@@H]2CCC[C@H]3C[C@H]32)C1 ZINC000554714544 430650413 /nfs/dbraw/zinc/65/04/13/430650413.db2.gz BYWKFWWZUNOURA-JEDBISTDSA-N 2 0 300.446 2.531 20 0 DFADRP CCCC[C@@H](C)[N@H+](C)CC(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000554958918 430656815 /nfs/dbraw/zinc/65/68/15/430656815.db2.gz ZNENDXNTUZOPTI-SJLPKXTDSA-N 2 0 319.493 2.916 20 0 DFADRP COc1ccc2[nH]cc(CC[NH2+][C@@H]3CCCC[C@@H]3C[NH3+])c2c1 ZINC000643453946 430603183 /nfs/dbraw/zinc/60/31/83/430603183.db2.gz NKGFZJYWRDKQTO-CXAGYDPISA-N 2 0 301.434 2.826 20 0 DFADRP CC[N@H+](Cc1ccc(C(=O)N2CC[C@@H]([NH3+])C[C@H]2C)cc1)C1CC1 ZINC000571101778 430603346 /nfs/dbraw/zinc/60/33/46/430603346.db2.gz CSLSMLYPMLIFHI-RHSMWYFYSA-N 2 0 315.461 2.623 20 0 DFADRP Cc1ccccc1C[NH+]1CCC(N[C@H](C)[C@@H]2CCC[NH2+]C2)CC1 ZINC000643463494 430603674 /nfs/dbraw/zinc/60/36/74/430603674.db2.gz GXZNIDPTKBDMTC-QZTJIDSGSA-N 2 0 315.505 2.937 20 0 DFADRP CC(C)(O)C[NH+]1CCC([NH2+]Cc2ccc3occc3c2)CC1 ZINC000639307321 430603860 /nfs/dbraw/zinc/60/38/60/430603860.db2.gz UZYLWVUFALQRNE-UHFFFAOYSA-N 2 0 302.418 2.758 20 0 DFADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CCN(c2ccc(F)cc2F)C1 ZINC000643462719 430604243 /nfs/dbraw/zinc/60/42/43/430604243.db2.gz CQLXXVPSLZQNFY-BJJXKVORSA-N 2 0 309.404 2.651 20 0 DFADRP C[C@@H]([NH2+]Cc1cccc(OCc2ccccn2)c1)[C@@H]1CC[NH2+]C1 ZINC000643462194 430604521 /nfs/dbraw/zinc/60/45/21/430604521.db2.gz BJFXVWIAWFPMLM-NVXWUHKLSA-N 2 0 311.429 2.748 20 0 DFADRP C[C@H]([NH2+]CC(C)(C)c1ccc2c(c1)OCCO2)[C@H]1CCC[NH2+]C1 ZINC000643459102 430604692 /nfs/dbraw/zinc/60/46/92/430604692.db2.gz WBJSKBVINTWMNX-GJZGRUSLSA-N 2 0 318.461 2.713 20 0 DFADRP C[C@H]([NH2+]CCCc1cccc(Br)c1)[C@H]1CC[NH2+]C1 ZINC000643469445 430605413 /nfs/dbraw/zinc/60/54/13/430605413.db2.gz WEVUGOSFPXMUKA-JSGCOSHPSA-N 2 0 311.267 2.969 20 0 DFADRP CC(C)[C@H](NC(=O)C[NH+]1CCC(CC[NH3+])CC1)c1ccccc1 ZINC000571172306 430610034 /nfs/dbraw/zinc/61/00/34/430610034.db2.gz ULJQDBAULQGPMB-IBGZPJMESA-N 2 0 317.477 2.561 20 0 DFADRP CCC[C@@H]([NH2+][C@@H]1CCC(=O)N[C@H]1c1cncn1C)[C@@H]1CC1(C)C ZINC000571178765 430610820 /nfs/dbraw/zinc/61/08/20/430610820.db2.gz OTYNQCKNQOFBKZ-ZOMKSWQUSA-N 2 0 318.465 2.544 20 0 DFADRP C[C@@H]([NH3+])c1ccc(C[NH2+][C@@H](C)c2cccc(-n3cnnn3)c2)cc1 ZINC000643513899 430611035 /nfs/dbraw/zinc/61/10/35/430611035.db2.gz IUWRRSIVZXUCNZ-KGLIPLIRSA-N 2 0 322.416 2.533 20 0 DFADRP C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1CC12CC[NH2+]CC2 ZINC000643533962 430612891 /nfs/dbraw/zinc/61/28/91/430612891.db2.gz ISVLBZMIJFJDDL-NZSAHSFTSA-N 3 0 313.489 2.629 20 0 DFADRP c1ccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@@H](N[C@H]2CCC[NH2+]CC2)C3)cc1 ZINC000643523117 430613266 /nfs/dbraw/zinc/61/32/66/430613266.db2.gz WXFYGLRHSHZXGY-HAGHYFMRSA-N 2 0 313.489 2.914 20 0 DFADRP C[C@@H]([NH2+]Cc1ccc2c(c1)C[NH2+]C2)c1cccc(-n2ccnn2)c1 ZINC000643523727 430613369 /nfs/dbraw/zinc/61/33/69/430613369.db2.gz MCYNJAJIUPXSCX-CQSZACIVSA-N 2 0 319.412 2.721 20 0 DFADRP COc1cc(C)c([C@H](C)[NH2+][C@H]2CC23CC[NH2+]CC3)cc1OC ZINC000643533816 430613489 /nfs/dbraw/zinc/61/34/89/430613489.db2.gz FNBCXCHXEKYLPG-GUYCJALGSA-N 2 0 304.434 2.805 20 0 DFADRP C[C@H]([NH2+][C@H]1CC12CC[NH2+]CC2)c1ncc(Br)s1 ZINC000643534749 430613573 /nfs/dbraw/zinc/61/35/73/430613573.db2.gz BQQJCXIKIGPWQO-IUCAKERBSA-N 2 0 316.268 2.698 20 0 DFADRP c1c2c(nn1-c1ccccc1)CCC[C@@H]2[NH2+][C@@H]1CC12CC[NH2+]CC2 ZINC000643536666 430613877 /nfs/dbraw/zinc/61/38/77/430613877.db2.gz UJKAUXKJCDRVLY-PKOBYXMFSA-N 2 0 322.456 2.981 20 0 DFADRP COc1ccc([C@@H](C)[NH2+][C@H]2CC23CC[NH2+]CC3)c(C)c1OC ZINC000643535803 430613906 /nfs/dbraw/zinc/61/39/06/430613906.db2.gz JNZWCKSLGWKZPM-CJNGLKHVSA-N 2 0 304.434 2.805 20 0 DFADRP C[C@H]([NH2+]C[C@H]1CCC[C@H]([NH3+])C1)c1cccc(N2CCOCC2)c1 ZINC000643540963 430614258 /nfs/dbraw/zinc/61/42/58/430614258.db2.gz IXOJHJKNKRLBFB-BQFCYCMXSA-N 2 0 317.477 2.691 20 0 DFADRP COc1cccc(C[C@H]([NH2+][C@@H]2CC23CC[NH2+]CC3)C2CC2)c1 ZINC000643535630 430614777 /nfs/dbraw/zinc/61/47/77/430614777.db2.gz OAKDCIWQEWHSFN-ZWKOTPCHSA-N 2 0 300.446 2.748 20 0 DFADRP COC[C@@H]([NH2+][C@H]1CC12CC[NH2+]CC2)c1cccc(Cl)c1F ZINC000643535274 430615086 /nfs/dbraw/zinc/61/50/86/430615086.db2.gz ALYYNNRKANZSRS-KGLIPLIRSA-N 2 0 312.816 2.898 20 0 DFADRP C[C@H]([NH2+][C@H]1CC[NH2+]C2(CCC2)C1)c1ccc2c(c1)CCC(=O)N2 ZINC000643546629 430615587 /nfs/dbraw/zinc/61/55/87/430615587.db2.gz RZLNDRHFUCUKAW-BBRMVZONSA-N 2 0 313.445 2.897 20 0 DFADRP Cc1noc(C2CCC([NH2+][C@@H]3CC[NH2+]C4(CCC4)C3)CC2)n1 ZINC000643548534 430615969 /nfs/dbraw/zinc/61/59/69/430615969.db2.gz QNHOLMVWEABFFI-YMAMQOFZSA-N 2 0 304.438 2.669 20 0 DFADRP C[C@@H]([NH2+][C@H]1CC[NH2+]C2(CCC2)C1)c1ccc2[nH]c(=O)oc2c1 ZINC000643547395 430616070 /nfs/dbraw/zinc/61/60/70/430616070.db2.gz DSYJTHYMKMLMNC-YPMHNXCESA-N 2 0 301.390 2.859 20 0 DFADRP CC(=O)Nc1ccc([C@H](C)[NH2+][C@@H]2CC[NH2+]C3(CCC3)C2)cc1 ZINC000643548882 430616190 /nfs/dbraw/zinc/61/61/90/430616190.db2.gz WTDOBQCGVCTTPJ-SUMWQHHRSA-N 2 0 301.434 2.970 20 0 DFADRP C[C@H]([NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1)c1ccccc1-n1cccn1 ZINC000643548187 430616311 /nfs/dbraw/zinc/61/63/11/430616311.db2.gz RASLNJVYOQIKIL-MWDXBVQZSA-N 2 0 310.445 2.911 20 0 DFADRP C[C@@H](CC[NH2+][C@@H]1CCC[C@@H]1N1CC[C@H](O)C1)c1ccccc1 ZINC000639370991 430622305 /nfs/dbraw/zinc/62/23/05/430622305.db2.gz FMDQHTMEHWYWKJ-KANFNMMFSA-N 2 0 302.462 2.758 20 0 DFADRP C[C@@H]1[C@H]([NH2+][C@@H]2CCC[C@@H]2N2CC[C@@H](O)C2)C[C@H]1c1ccccc1 ZINC000639373772 430624607 /nfs/dbraw/zinc/62/46/07/430624607.db2.gz UTLMQVYUXJKKIE-VHLJGOKISA-N 2 0 314.473 2.756 20 0 DFADRP C[C@H]([NH2+][C@@H]1CCC[C@@H]1N1CC[C@H](O)C1)C1CCC(F)(F)CC1 ZINC000639373676 430625416 /nfs/dbraw/zinc/62/54/16/430625416.db2.gz SXLVPXVBUOAWSS-HNKHHVNMSA-N 2 0 316.436 2.778 20 0 DFADRP COC[C@@H](C)C[N@@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000571448220 430629639 /nfs/dbraw/zinc/62/96/39/430629639.db2.gz XKUDGRBWYWSKGZ-HKUYNNGSSA-N 2 0 302.462 2.867 20 0 DFADRP C[C@@H]1CCCN(c2cc(NC[C@H]3CC[N@@H+](C4CC4)C3)ncn2)C1 ZINC000554211564 430630204 /nfs/dbraw/zinc/63/02/04/430630204.db2.gz ZVFRIHYPJNIJKW-HUUCEWRRSA-N 2 0 315.465 2.609 20 0 DFADRP C[NH+]1CCN(C[C@H]([NH2+][C@@H]2CC[C@H]2C2CC2)c2ccccc2)CC1 ZINC000554360863 430633788 /nfs/dbraw/zinc/63/37/88/430633788.db2.gz MWQWZNOWXXDEMJ-ZCNNSNEGSA-N 2 0 313.489 2.753 20 0 DFADRP CC(C)[C@H](CO)C[NH2+][C@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000554376652 430635109 /nfs/dbraw/zinc/63/51/09/430635109.db2.gz DIGGZONSWZTHJB-NEWSRXKRSA-N 2 0 304.478 2.894 20 0 DFADRP [NH3+][C@@H]1CCC[C@H]([NH2+]Cc2cc(Cl)ccc2N2CCOCC2)C1 ZINC000571581186 430637913 /nfs/dbraw/zinc/63/79/13/430637913.db2.gz JYRGGPCEDNWWDB-CVEARBPZSA-N 2 0 323.868 2.536 20 0 DFADRP Cc1cccc(OC[C@H](O)C[NH2+]CC[C@@H](C)[NH+]2CCCCC2)c1 ZINC000571636880 430642158 /nfs/dbraw/zinc/64/21/58/430642158.db2.gz UDYDCYNAVLFBAF-QZTJIDSGSA-N 2 0 320.477 2.589 20 0 DFADRP COc1cc(C)c(C[C@H](C)[NH2+]CCN2CC[C@@H](C)C2)cc1OC ZINC000554558712 430643897 /nfs/dbraw/zinc/64/38/97/430643897.db2.gz MBHBVICZEJQNMU-ZBFHGGJFSA-N 2 0 320.477 2.875 20 0 DFADRP COc1ccccc1OCC[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1 ZINC000571669403 430644758 /nfs/dbraw/zinc/64/47/58/430644758.db2.gz LCZSHEVNKFFNPA-YESZJQIVSA-N 2 0 318.461 2.974 20 0 DFADRP COc1c(Br)cccc1C[NH2+][C@H](C)C[C@H](C)[NH3+] ZINC000571991892 430665179 /nfs/dbraw/zinc/66/51/79/430665179.db2.gz AWRJVBSFYAXFGP-VHSXEESVSA-N 2 0 301.228 2.673 20 0 DFADRP CC[NH+](CC)[C@H](CNC(=O)[C@@H]1CCCCC[NH2+]1)c1ccsc1 ZINC000572123281 430673148 /nfs/dbraw/zinc/67/31/48/430673148.db2.gz HFWWBAZFAWVHPQ-JKSUJKDBSA-N 2 0 323.506 2.779 20 0 DFADRP C[N@@H+](Cc1cccc2c1CCOC2)C[C@@H]1CCc2nccn2C1 ZINC000639600376 430679268 /nfs/dbraw/zinc/67/92/68/430679268.db2.gz NSCZSUVFPKEHPG-HNNXBMFYSA-N 2 0 311.429 2.650 20 0 DFADRP C[C@H](C(=O)NC1CC[NH+](C2CCCC2)CC1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000247381117 278150774 /nfs/dbraw/zinc/15/07/74/278150774.db2.gz UHRBKIQXRTXHQJ-OWCLPIDISA-N 2 0 321.509 2.771 20 0 DFADRP C[C@@H](C(=O)N1CC[NH+](C2CCCCC2)CC1)[NH+]1CCCCCC1 ZINC000361875305 278192626 /nfs/dbraw/zinc/19/26/26/278192626.db2.gz ZUGYUSQBLRIYDJ-KRWDZBQOSA-N 2 0 321.509 2.728 20 0 DFADRP CCOC(=O)[C@H](c1ccccc1)N1CC[C@H](c2nccn2C)C1 ZINC000572658674 430693694 /nfs/dbraw/zinc/69/36/94/430693694.db2.gz DGPJDAJDCQIAFK-HOTGVXAUSA-N 2 0 313.401 2.514 20 0 DFADRP CN1CC[NH+](CCCC[NH2+]C/C=C/c2ccc(F)c(F)c2)CC1 ZINC000556837500 430693969 /nfs/dbraw/zinc/69/39/69/430693969.db2.gz HTEBEUVKHAIAOQ-SNAWJCMRSA-N 2 0 323.431 2.595 20 0 DFADRP Cc1ccc2[nH]c3c(c2c1)CCC[C@H]3[NH2+]C[C@@]1(O)CCN(C)C1 ZINC000572678023 430694360 /nfs/dbraw/zinc/69/43/60/430694360.db2.gz FSYAPOYWTRDCDH-MJGOQNOKSA-N 2 0 313.445 2.510 20 0 DFADRP C[N@@H+]1CC[C@H](Nc2cc(NC3CC3)ncn2)[C@H]1c1ccccc1 ZINC000556839870 430694402 /nfs/dbraw/zinc/69/44/02/430694402.db2.gz ZBQLWVXOZKPKOA-MAUKXSAKSA-N 2 0 309.417 2.908 20 0 DFADRP C[C@@H](C[NH2+][C@@H]1CCc2cc(Cl)ccc21)CN1CC[NH+](C)CC1 ZINC000121039354 278285680 /nfs/dbraw/zinc/28/56/80/278285680.db2.gz YZBIMMAPBXYQTL-KBXCAEBGSA-N 2 0 321.896 2.800 20 0 DFADRP C[C@H](c1ccccc1)[N@H+](C)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000367117327 278310703 /nfs/dbraw/zinc/31/07/03/278310703.db2.gz NZDDJPBTGHXGFK-APWZRJJASA-N 2 0 301.478 2.848 20 0 DFADRP C[C@@H]([NH2+]C1CC[NH+](C2CCCCC2)CC1)C(C)(C)n1cncn1 ZINC000377086790 278335511 /nfs/dbraw/zinc/33/55/11/278335511.db2.gz PMPQAMIWJLXTSP-OAHLLOKOSA-N 2 0 319.497 2.788 20 0 DFADRP C[C@@H]([NH2+]Cc1c(Cl)cccc1N1CC[NH+](C)CC1)C1CC1 ZINC000177388014 278356294 /nfs/dbraw/zinc/35/62/94/278356294.db2.gz FTZSBCYXPMAXFH-CYBMUJFWSA-N 2 0 307.869 2.980 20 0 DFADRP CC1(C)C[C@H]([NH2+]C2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)C(C)(C)O1 ZINC000090523795 278388045 /nfs/dbraw/zinc/38/80/45/278388045.db2.gz RQNFSNMPBWMXCW-ULQDDVLXSA-N 2 0 324.509 2.690 20 0 DFADRP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)[C@@H](C)c2ccc(F)cc2)CC1 ZINC000171588492 278395707 /nfs/dbraw/zinc/39/57/07/278395707.db2.gz VAYDGHIINLCEJS-CABCVRRESA-N 2 0 308.441 2.911 20 0 DFADRP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)Cc2coc3ccccc23)CC1 ZINC000179515678 278395793 /nfs/dbraw/zinc/39/57/93/278395793.db2.gz SADDXSQFNDLGEH-OAHLLOKOSA-N 2 0 316.445 2.957 20 0 DFADRP Cc1cc2ccccc2nc1N1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000664598434 430702378 /nfs/dbraw/zinc/70/23/78/430702378.db2.gz HVYRHGGEPGMGHY-KRWDZBQOSA-N 2 0 311.429 2.579 20 0 DFADRP CC(C)(C(=O)N[C@H]1CC[NH2+]C2(CCC2)C1)[C@@H]([NH3+])c1ccccc1 ZINC000648187450 430703240 /nfs/dbraw/zinc/70/32/40/430703240.db2.gz QJDVIOGTIUFJDZ-HOTGVXAUSA-N 2 0 315.461 2.504 20 0 DFADRP Cc1cc(Cl)cc(C[NH2+]C2CCN([C@H]3CCOC3)CC2)c1 ZINC000657750965 430725999 /nfs/dbraw/zinc/72/59/99/430725999.db2.gz FNYOPUYMKFEUHT-KRWDZBQOSA-N 2 0 308.853 2.991 20 0 DFADRP CN1CC[NH+](CCCC[NH2+]Cc2ccc3c(c2)CCCC3)CC1 ZINC000644375787 430726024 /nfs/dbraw/zinc/72/60/24/430726024.db2.gz SUDGDFBTEZMCAO-UHFFFAOYSA-N 2 0 315.505 2.683 20 0 DFADRP CC[C@@H]1C[C@H]([NH2+]Cc2ccc(OCC[NH+](C)C)cc2)CCO1 ZINC000648427708 430782023 /nfs/dbraw/zinc/78/20/23/430782023.db2.gz OQAMPUBBCFHZBJ-IAGOWNOFSA-N 2 0 306.450 2.674 20 0 DFADRP C[C@@H]1CC(C)(C)C[C@H]1[NH2+]Cc1cccnc1N1CC[NH+](C)CC1 ZINC000193127166 278443789 /nfs/dbraw/zinc/44/37/89/278443789.db2.gz PWHHXEMAEZAFHZ-NVXWUHKLSA-N 2 0 316.493 2.748 20 0 DFADRP C[NH+](C)CCOc1ccc(C[NH2+]CCCc2ccco2)cc1 ZINC000657780623 430732960 /nfs/dbraw/zinc/73/29/60/430732960.db2.gz UXLFLFLGDMXPFA-UHFFFAOYSA-N 2 0 302.418 2.942 20 0 DFADRP CCc1nn(C)c(CC)c1C[NH2+]CC1CC[NH+](CC2CC2)CC1 ZINC000657813711 430743258 /nfs/dbraw/zinc/74/32/58/430743258.db2.gz YINPRPUYGGIDFK-UHFFFAOYSA-N 2 0 318.509 2.757 20 0 DFADRP COCc1nc(C[NH2+]CC2CC[NH+](CC3CC3)CC2)cs1 ZINC000657813276 430743628 /nfs/dbraw/zinc/74/36/28/430743628.db2.gz MSZYXUFRTNQCET-UHFFFAOYSA-N 2 0 309.479 2.501 20 0 DFADRP COC[C@@H](CC1CCOCC1)[NH2+]C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000657827359 430746070 /nfs/dbraw/zinc/74/60/70/430746070.db2.gz ZIZAUIWDANSDQL-OAHLLOKOSA-N 2 0 312.498 2.717 20 0 DFADRP OCC1(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@H]3CCC[C@@H]32)CC1 ZINC000651241627 430748062 /nfs/dbraw/zinc/74/80/62/430748062.db2.gz XCDWFQNZQDLFOA-QRVBRYPASA-N 2 0 314.473 2.792 20 0 DFADRP CC(C)[C@@H](C[NH2+][C@@H](C)C(C)(C)C(F)F)N1CC[NH+](C)CC1 ZINC000657834317 430748398 /nfs/dbraw/zinc/74/83/98/430748398.db2.gz SFWJKJQLMRXMOM-UONOGXRCSA-N 2 0 305.457 2.528 20 0 DFADRP COCCN1CCC([NH2+][C@H](C)c2ccc(C(F)F)nc2)CC1 ZINC000657850526 430752892 /nfs/dbraw/zinc/75/28/92/430752892.db2.gz UXIVTVLZIHPRCC-GFCCVEGCSA-N 2 0 313.392 2.781 20 0 DFADRP Cc1c(F)cccc1NC(=O)CC[NH2+][C@@H](C)C1CC[NH+](C)CC1 ZINC000644562969 430754006 /nfs/dbraw/zinc/75/40/06/430754006.db2.gz JDJMFFVHPNOBPQ-AWEZNQCLSA-N 2 0 321.440 2.783 20 0 DFADRP C[C@H]([NH2+]C[C@@H](O)Cc1cccc(Cl)c1)C1CC[NH+](C)CC1 ZINC000644563062 430755125 /nfs/dbraw/zinc/75/51/25/430755125.db2.gz KFEHEMYMSVEJLH-GUYCJALGSA-N 2 0 310.869 2.563 20 0 DFADRP C[C@H]([NH2+]CCC(=O)Nc1ccc(Cl)cc1)C1CC[NH+](C)CC1 ZINC000644562923 430755276 /nfs/dbraw/zinc/75/52/76/430755276.db2.gz IHLPLIWYLPZUIW-ZDUSSCGKSA-N 2 0 323.868 2.989 20 0 DFADRP CN(Cc1ccccc1)C[C@H](O)C[NH2+][C@@H]1C[C@@]1(C)c1ccccc1 ZINC000644574672 430757039 /nfs/dbraw/zinc/75/70/39/430757039.db2.gz BIKRMGRTTZOUGD-NJYVYQBISA-N 2 0 324.468 2.799 20 0 DFADRP CC(C)[C@H]([NH2+]C[C@H](O)CN(C)C)c1ccc2c(c1)CCCC2 ZINC000657876635 430758651 /nfs/dbraw/zinc/75/86/51/430758651.db2.gz YRKNEUDWUJGECA-OALUTQOASA-N 2 0 304.478 2.775 20 0 DFADRP CC[C@H]1C[C@@H]([NH2+]Cc2ccc(OCC[NH+](C)C)cc2)CCO1 ZINC000648427709 430783576 /nfs/dbraw/zinc/78/35/76/430783576.db2.gz OQAMPUBBCFHZBJ-IRXDYDNUSA-N 2 0 306.450 2.674 20 0 DFADRP C[C@H]([NH2+]CCCC[N@@H+]1CCC[C@H]1CO)c1cc2cnccc2o1 ZINC000657882125 430760951 /nfs/dbraw/zinc/76/09/51/430760951.db2.gz XUJQKOANILJVSH-HOCLYGCPSA-N 2 0 317.433 2.715 20 0 DFADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]C2CC(CF)(CF)C2)[C@@H](C)C1 ZINC000657884541 430761761 /nfs/dbraw/zinc/76/17/61/430761761.db2.gz VGGFXIPXEGREDU-GOEBONIOSA-N 2 0 318.452 2.801 20 0 DFADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]C2CC(CF)(CF)C2)[C@@H](C)C1 ZINC000657884542 430761861 /nfs/dbraw/zinc/76/18/61/430761861.db2.gz VGGFXIPXEGREDU-HOCLYGCPSA-N 2 0 318.452 2.801 20 0 DFADRP CC(C)[NH+]1CCC(O)(C[NH2+][C@H](C)c2cc3cnccc3o2)CC1 ZINC000657907250 430765595 /nfs/dbraw/zinc/76/55/95/430765595.db2.gz HNXYHSFVGSAAQI-CQSZACIVSA-N 2 0 317.433 2.714 20 0 DFADRP CCOC1CCC([NH2+]CCCC[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000657918431 430766768 /nfs/dbraw/zinc/76/67/68/430766768.db2.gz CIELTDSVSYGMJP-VYMRPNJYSA-N 2 0 312.498 2.813 20 0 DFADRP CCOC1CCC(Nc2c[nH+]ccc2N2CC[NH+](C)CC2)CC1 ZINC000657955885 430775567 /nfs/dbraw/zinc/77/55/67/430775567.db2.gz QXGYWPGLRSONLC-UHFFFAOYSA-N 2 0 318.465 2.593 20 0 DFADRP C[NH+]1CCC(Oc2ccc(C[NH2+]C[C@H](O)C(C)(C)C)cc2)CC1 ZINC000644641938 430778793 /nfs/dbraw/zinc/77/87/93/430778793.db2.gz AOSILJMFTCYLHO-SFHVURJKSA-N 2 0 320.477 2.656 20 0 DFADRP CN(Cc1ccccc1)C[C@@H](O)C[NH2+]C1CC(C(C)(C)C)C1 ZINC000644654462 430780732 /nfs/dbraw/zinc/78/07/32/430780732.db2.gz RHXSLUFIQMHWOY-ABHNRTSZSA-N 2 0 304.478 2.894 20 0 DFADRP C[C@@H](CN(C)CCC[NH+](C)C)[NH2+][C@@H](C)c1ccc2c(c1)COC2 ZINC000658107311 430812654 /nfs/dbraw/zinc/81/26/54/430812654.db2.gz HCDQXZFYXWIDRL-HOTGVXAUSA-N 2 0 319.493 2.639 20 0 DFADRP COc1ccccc1[C@@H](C)[NH2+][C@@H](C)CN(C)CCC[NH+](C)C ZINC000658106301 430812897 /nfs/dbraw/zinc/81/28/97/430812897.db2.gz BBKQJTYJUHZZTG-JKSUJKDBSA-N 2 0 307.482 2.618 20 0 DFADRP C[C@@H](CN(C)CCC[NH+](C)C)[NH2+][C@H]1CCCc2sccc21 ZINC000658110517 430815003 /nfs/dbraw/zinc/81/50/03/430815003.db2.gz YAYIVNGQMQOFAX-HOCLYGCPSA-N 2 0 309.523 2.987 20 0 DFADRP Cc1ccc([C@H](C)[NH2+][C@@H](C)CN(C)CCC[NH+](C)C)c(C)n1 ZINC000658109281 430815149 /nfs/dbraw/zinc/81/51/49/430815149.db2.gz VCEAAXDJHMCXFE-RDJZCZTQSA-N 2 0 306.498 2.621 20 0 DFADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CCc2cnccc2C)[C@@H](C)C1 ZINC000658126464 430818763 /nfs/dbraw/zinc/81/87/63/430818763.db2.gz MGMQKKLNQPEOIF-PKOBYXMFSA-N 2 0 319.493 2.659 20 0 DFADRP CC[C@@H]1CCC[C@@H]1[NH2+]Cc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1 ZINC000658136226 430820720 /nfs/dbraw/zinc/82/07/20/430820720.db2.gz CIZLFJYQXHJIGD-QYZOEREBSA-N 2 0 302.462 2.922 20 0 DFADRP O[C@@H]1CC[N@H+](Cc2ccc(C[NH2+][C@@H]3CCC[C@H]3CCF)cc2)C1 ZINC000658134925 430820783 /nfs/dbraw/zinc/82/07/83/430820783.db2.gz CFNAYMITCUVYDN-IPMKNSEASA-N 2 0 320.452 2.871 20 0 DFADRP O[C@@H]1CC[N@H+](Cc2ccc(C[NH2+][C@H]3CC[C@@H]3C3CCC3)cc2)C1 ZINC000658134342 430820987 /nfs/dbraw/zinc/82/09/87/430820987.db2.gz AKJPYQBCHXMBSA-AQNXPRMDSA-N 2 0 314.473 2.922 20 0 DFADRP Cn1cncc1CCN1C[C@@H](c2cccc(F)c2)OCC1(C)C ZINC000661736284 430823268 /nfs/dbraw/zinc/82/32/68/430823268.db2.gz OHUXLNXXCMOPBQ-KRWDZBQOSA-N 2 0 317.408 2.954 20 0 DFADRP Cc1nccn1CCCN1CCOC[C@@H]1c1cccc(F)c1 ZINC000661734332 430823749 /nfs/dbraw/zinc/82/37/49/430823749.db2.gz SEIGPYGFGYRFFX-QGZVFWFLSA-N 2 0 303.381 2.794 20 0 DFADRP C[C@@H]([NH2+]Cc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1)c1ccco1 ZINC000658147351 430825417 /nfs/dbraw/zinc/82/54/17/430825417.db2.gz ZGGPWKKUNODPLF-PBHICJAKSA-N 2 0 300.402 2.697 20 0 DFADRP C[C@@H]([NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)C1(CO)CC1 ZINC000658155648 430825652 /nfs/dbraw/zinc/82/56/52/430825652.db2.gz QMTGOFQFLYLRGN-OQIJWPOYSA-N 2 0 314.473 2.933 20 0 DFADRP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)C1(CO)CC1 ZINC000658155654 430826428 /nfs/dbraw/zinc/82/64/28/430826428.db2.gz QMTGOFQFLYLRGN-UXDRXVOSSA-N 2 0 314.473 2.933 20 0 DFADRP c1cc(C[NH+]2CCC(C[NH2+][C@@H]3COC4(CCC4)C3)CC2)ccn1 ZINC000658162096 430831334 /nfs/dbraw/zinc/83/13/34/430831334.db2.gz BQNMCBDDNBOOGM-SFHVURJKSA-N 2 0 315.461 2.595 20 0 DFADRP C[N@H+](CCc1ccccc1)[C@@H]1CCN(CC[C@@H]2CCC[NH+]2C)C1 ZINC000661649925 430790070 /nfs/dbraw/zinc/79/00/70/430790070.db2.gz QVUFWLQMYWLHPD-VQTJNVASSA-N 2 0 315.505 2.720 20 0 DFADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]CCC2CC(OC)C2)[C@H](C)C1 ZINC000658054847 430796076 /nfs/dbraw/zinc/79/60/76/430796076.db2.gz FEDKXPMSVPDEGH-CPFNUKBASA-N 2 0 312.498 2.528 20 0 DFADRP COC[C@H](CC[NH2+]C1CC[NH+]([C@H]2CCC[C@@H](C)C2)CC1)OC ZINC000658085429 430805302 /nfs/dbraw/zinc/80/53/02/430805302.db2.gz XFBPAFRTGVWVJE-NJAFHUGGSA-N 2 0 312.498 2.671 20 0 DFADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]C[C@@]2(C)CC2(F)F)[C@H](C)C1 ZINC000658223403 430845348 /nfs/dbraw/zinc/84/53/48/430845348.db2.gz YZQAGBMKOIJMNQ-QLFBSQMISA-N 2 0 304.425 2.758 20 0 DFADRP C[N@@H+]1CC[C@H](N[C@@H]2CC[NH+](C3CCCCC3)C2)[C@@H]2CCC[C@@H]21 ZINC000658230493 430845604 /nfs/dbraw/zinc/84/56/04/430845604.db2.gz ZEJLJSIFPJYKBF-BVBHFADKSA-N 2 0 305.510 2.856 20 0 DFADRP Cn1cc(C[C@@H]2CCC[C@H]2[NH2+]C2CC[NH+](C(C)(C)C)CC2)cn1 ZINC000658236520 430846567 /nfs/dbraw/zinc/84/65/67/430846567.db2.gz SYAHXZNOGQXCKY-FUHWJXTLSA-N 2 0 318.509 2.984 20 0 DFADRP Cn1cc(C[C@@H]2CCC[C@@H]2[NH2+]C2CC[NH+](CC3CC3)CC2)cn1 ZINC000658231699 430847376 /nfs/dbraw/zinc/84/73/76/430847376.db2.gz CKPHOQFRRKQQCF-HKUYNNGSSA-N 2 0 316.493 2.595 20 0 DFADRP C[C@H]1CCCCC[C@@H]1[NH2+]Cc1ccnc(N2CC[NH+](C)CC2)c1 ZINC000651679287 430847628 /nfs/dbraw/zinc/84/76/28/430847628.db2.gz VYAWPDXUADHOBY-WMZOPIPTSA-N 2 0 316.493 2.892 20 0 DFADRP C[C@@H]([NH2+]CC1CCC(O)CC1)c1cccc(OCC[NH+](C)C)c1 ZINC000658282650 430860488 /nfs/dbraw/zinc/86/04/88/430860488.db2.gz BTSVQMPICLRATP-KLHKWILBSA-N 2 0 320.477 2.829 20 0 DFADRP [NH3+]CC1CCC([NH2+]C[C@H](OC2CCCC2)C(F)(F)F)CC1 ZINC000665238346 430863945 /nfs/dbraw/zinc/86/39/45/430863945.db2.gz WNXLUEMXCQCFOV-YIZWMMSDSA-N 2 0 308.388 2.984 20 0 DFADRP C[C@@H]([NH2+][C@@H]1CNCC[C@@H]1c1cccc(F)c1)C1CC[NH+](C)CC1 ZINC000665253550 430869642 /nfs/dbraw/zinc/86/96/42/430869642.db2.gz VNEHRUPWBJMXHH-NIKGAXFTSA-N 2 0 319.468 2.591 20 0 DFADRP C[C@H](C[C@H](C)[NH3+])[NH2+]Cc1cccc(COC[C@H]2CCCO2)c1 ZINC000665294195 430889424 /nfs/dbraw/zinc/88/94/24/430889424.db2.gz JYVBQVLMEGZQBC-HDMKZQKVSA-N 2 0 306.450 2.598 20 0 DFADRP C[C@@H](COc1c(F)cccc1F)[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000665261804 430874559 /nfs/dbraw/zinc/87/45/59/430874559.db2.gz LWOGXKIFJRHMIM-REWJHTLYSA-N 2 0 310.388 2.710 20 0 DFADRP C1C[NH2+][C@@H]([C@@H]2CCC[C@H]2N[C@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC000665267154 430876891 /nfs/dbraw/zinc/87/68/91/430876891.db2.gz QQNJNKOQOJOMPE-GDAAHCPNSA-N 2 0 305.510 2.904 20 0 DFADRP C[NH+](C)CCOc1ccc(C[N@@H+]2CCSC[C@@H]2C2CC2)cc1 ZINC000648752518 430879894 /nfs/dbraw/zinc/87/98/94/430879894.db2.gz JXLPOXSILVAICE-GOSISDBHSA-N 2 0 320.502 2.954 20 0 DFADRP COc1ccc([C@H](C)[NH2+]CC[C@@H]([NH3+])C(C)C)cc1NC(C)=O ZINC000665281072 430881035 /nfs/dbraw/zinc/88/10/35/430881035.db2.gz TZABDFHCRSPCRO-SWLSCSKDSA-N 2 0 307.438 2.678 20 0 DFADRP CC(C)[C@H]([NH3+])CC[NH2+][C@H](C)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000665280730 430881914 /nfs/dbraw/zinc/88/19/14/430881914.db2.gz JVNGGHJRTNGBHQ-IUODEOHRSA-N 2 0 303.450 2.940 20 0 DFADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CCN2Cc2ccccc2)[C@H](C)C1 ZINC000658349915 430882627 /nfs/dbraw/zinc/88/26/27/430882627.db2.gz VPLRAMHVBLLZNM-NEWSRXKRSA-N 2 0 301.478 2.581 20 0 DFADRP COc1ccc(C[C@H](C)[NH2+]CC2CC[NH+](CC3CC3)CC2)cn1 ZINC000658352062 430882815 /nfs/dbraw/zinc/88/28/15/430882815.db2.gz CMTABEUILGAEQC-HNNXBMFYSA-N 2 0 317.477 2.733 20 0 DFADRP C[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CCN2Cc2ccccc2)[C@H]2CCC[C@@H]21 ZINC000658349386 430883033 /nfs/dbraw/zinc/88/30/33/430883033.db2.gz SVZPXQYWQNXAJT-YRPNKDGESA-N 2 0 313.489 2.723 20 0 DFADRP CC1(C)[C@H]([NH2+]CC2CC[NH+](CC3CC3)CC2)[C@H]2CCCO[C@H]21 ZINC000658355507 430885151 /nfs/dbraw/zinc/88/51/51/430885151.db2.gz JEHVVZASRWUCFT-KZNAEPCWSA-N 2 0 306.494 2.902 20 0 DFADRP C[NH2+]CCCC(=O)N1CCC([NH2+][C@@H]2CCC[C@@H](C(C)C)C2)CC1 ZINC000665289200 430885425 /nfs/dbraw/zinc/88/54/25/430885425.db2.gz IWQBRVYNFQFFJY-SJLPKXTDSA-N 2 0 323.525 2.781 20 0 DFADRP COC[C@H](Cc1ccccc1)[NH2+]CC1CC[NH+](CC2CC2)CC1 ZINC000658357920 430885793 /nfs/dbraw/zinc/88/57/93/430885793.db2.gz WGFCAIKMADLMQX-FQEVSTJZSA-N 2 0 316.489 2.956 20 0 DFADRP CCC[C@@H]([NH2+]C1CCN(C(=O)CCC[NH2+]C)CC1)C1CCC1 ZINC000665289816 430886085 /nfs/dbraw/zinc/88/60/85/430886085.db2.gz XWNIWFBHVNINFA-QGZVFWFLSA-N 2 0 309.498 2.535 20 0 DFADRP [NH3+]Cc1cc(=O)[nH]c(C[NH2+][C@@H]2CCCC[C@@H]2C2CCCCC2)n1 ZINC000665291649 430886583 /nfs/dbraw/zinc/88/65/83/430886583.db2.gz HGBFMPMCQKIQKD-HZPDHXFCSA-N 2 0 318.465 2.870 20 0 DFADRP CC[C@@H]1CC[C@H](C)C[C@H]1[NH2+]C1CCN(C(=O)CCC[NH2+]C)CC1 ZINC000665289161 430887367 /nfs/dbraw/zinc/88/73/67/430887367.db2.gz IBISMSWQNDWMEZ-LZLYRXPVSA-N 2 0 323.525 2.781 20 0 DFADRP C[NH+](C)CCOc1ccc(C[N@H+](C)[C@H](CO)CC(C)(C)C)cc1 ZINC000648781845 430888263 /nfs/dbraw/zinc/88/82/63/430888263.db2.gz VCQLARJICFCMCR-KRWDZBQOSA-N 2 0 322.493 2.856 20 0 DFADRP C[C@@H]1CCCC[N@@H+]1CCCNCc1cnnn1-c1ccccc1 ZINC000651669278 430843582 /nfs/dbraw/zinc/84/35/82/430843582.db2.gz NYSDCCDZMIUROR-MRXNPFEDSA-N 2 0 313.449 2.621 20 0 DFADRP C[C@H]([NH3+])[C@@H](Cc1ccccc1)NC[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000665299838 430891167 /nfs/dbraw/zinc/89/11/67/430891167.db2.gz UHHMQODAKORSBP-FFZOFVMBSA-N 2 0 315.505 2.657 20 0 DFADRP [NH3+]CC1CCC([NH2+][C@H]2CCc3ccccc3-n3ccnc32)CC1 ZINC000665299881 430891580 /nfs/dbraw/zinc/89/15/80/430891580.db2.gz UYHLKSWJIQWFIW-PREGVCBESA-N 2 0 310.445 2.967 20 0 DFADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CCc2ccccc2-n2ccnc21 ZINC000665299703 430891716 /nfs/dbraw/zinc/89/17/16/430891716.db2.gz ROMGMGMZZHBZIM-YESZJQIVSA-N 2 0 310.445 2.967 20 0 DFADRP C[NH+](C)CCOc1ccc(C[N@@H+]2CC[C@H](O)CC(C)(C)C2)cc1 ZINC000648794061 430892832 /nfs/dbraw/zinc/89/28/32/430892832.db2.gz LLKMOWMUTYMZJE-KRWDZBQOSA-N 2 0 320.477 2.610 20 0 DFADRP CO[C@H]([C@H](C)[NH2+]Cc1ccc(OCC[NH+](C)C)cc1)C1CC1 ZINC000648797000 430895809 /nfs/dbraw/zinc/89/58/09/430895809.db2.gz CGVKBEOINOESOW-KBXCAEBGSA-N 2 0 306.450 2.530 20 0 DFADRP CC(C)C[N@H+](C)CCC[NH2+]C1CCN(Cc2ccccn2)CC1 ZINC000651866006 430898233 /nfs/dbraw/zinc/89/82/33/430898233.db2.gz QBBFUNLLDFFQRU-UHFFFAOYSA-N 2 0 318.509 2.614 20 0 DFADRP CC(C)([NH3+])CC(=O)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000645157986 430918383 /nfs/dbraw/zinc/91/83/83/430918383.db2.gz ZMBZNKICWYTCIW-HNNXBMFYSA-N 2 0 323.868 2.721 20 0 DFADRP C[NH+](C)CCOc1ccc(C[NH2+]C(C)(C)CN2CCCC2)cc1 ZINC000648868953 430920000 /nfs/dbraw/zinc/92/00/00/430920000.db2.gz MMNBRKJVLSHAKI-UHFFFAOYSA-N 2 0 319.493 2.591 20 0 DFADRP CC[N@@H+]1CC[C@@H]([NH2+][C@@H]2CCO[C@H](c3ccncc3)C2)[C@@H](C)C1 ZINC000651966328 430928457 /nfs/dbraw/zinc/92/84/57/430928457.db2.gz DMRMPWOWBMJOSC-HPBDAGMYSA-N 2 0 303.450 2.622 20 0 DFADRP Fc1cccn2cc(C[NH2+]CCCCC[NH+]3CCCC3)nc12 ZINC000645200007 430933855 /nfs/dbraw/zinc/93/38/55/430933855.db2.gz YDHREKNRQBKYLM-UHFFFAOYSA-N 2 0 304.413 2.829 20 0 DFADRP C[NH2+]Cc1cccc(NC(=O)N[C@@H](C)C[NH+]2CCC(C)CC2)c1 ZINC000659019905 430942338 /nfs/dbraw/zinc/94/23/38/430942338.db2.gz UDRFVRFOCRGXCI-HNNXBMFYSA-N 2 0 318.465 2.648 20 0 DFADRP C[NH2+]Cc1cccc(NC(=O)N[C@H](C)C[NH+]2CCC(C)CC2)c1 ZINC000659019906 430942375 /nfs/dbraw/zinc/94/23/75/430942375.db2.gz UDRFVRFOCRGXCI-OAHLLOKOSA-N 2 0 318.465 2.648 20 0 DFADRP CC[C@H](c1ccc(F)cc1)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000662153827 430980793 /nfs/dbraw/zinc/98/07/93/430980793.db2.gz CVFHPZDMVUFYFY-QZTJIDSGSA-N 2 0 306.425 2.808 20 0 DFADRP CCCOc1ccc(CN2CCC([N@@H+]3CC[C@@H](O)C3)CC2)cc1 ZINC000662153049 430981202 /nfs/dbraw/zinc/98/12/02/430981202.db2.gz MROLHLNKEITMGX-GOSISDBHSA-N 2 0 318.461 2.506 20 0 DFADRP CC(C)[NH2+]CC(=O)NCc1ccccc1C[N@@H+]1CCCC[C@@H]1C ZINC000659284296 431011545 /nfs/dbraw/zinc/01/15/45/431011545.db2.gz CZYKCCPAYSCTDY-INIZCTEOSA-N 2 0 317.477 2.675 20 0 DFADRP CC[N@H+](CCCNC(=O)N[C@H]1CCC[C@H]([NH3+])C1)C1CCCCC1 ZINC000652216134 430990580 /nfs/dbraw/zinc/99/05/80/430990580.db2.gz JVMPLSUYHIGVCC-HOTGVXAUSA-N 2 0 324.513 2.600 20 0 DFADRP COc1ccc(-c2cc(C[NH+]3CCC(C[NH3+])CC3)on2)cc1 ZINC000662236408 431007763 /nfs/dbraw/zinc/00/77/63/431007763.db2.gz XKRGQFRSNVLZFS-UHFFFAOYSA-N 2 0 301.390 2.521 20 0 DFADRP [NH3+]Cc1ccc(NC(=O)c2ccc3c(c2)[C@@H](C[NH3+])CCC3)cc1 ZINC000659307673 431020013 /nfs/dbraw/zinc/02/00/13/431020013.db2.gz RPSXWQHYFBCKAY-MRXNPFEDSA-N 2 0 309.413 2.776 20 0 DFADRP c1ccc(C([NH2+]C[C@H]2CCC3(C[NH2+]C3)O2)c2ccccc2)cc1 ZINC000662258570 431020452 /nfs/dbraw/zinc/02/04/52/431020452.db2.gz KKIWEKZGHSFAJG-GOSISDBHSA-N 2 0 308.425 2.887 20 0 DFADRP CO[C@H](CN(Cc1ccccn1)[C@H]1CCC[NH2+]CC1)C1CCC1 ZINC000662264843 431022886 /nfs/dbraw/zinc/02/28/86/431022886.db2.gz SPAAUSDKYOBMRF-RBUKOAKNSA-N 2 0 317.477 2.841 20 0 DFADRP CC(C)=CCC[N@@H+](Cc1nccn1C)[C@@H]1CC12CC[NH2+]CC2 ZINC000662269226 431025720 /nfs/dbraw/zinc/02/57/20/431025720.db2.gz ADTRVLBCXLSXFF-MRXNPFEDSA-N 2 0 302.466 2.721 20 0 DFADRP Cc1cc(C)n([C@@H]2CCC[N@H+](Cc3ccc4c(c3)C[NH2+]CC4)C2)n1 ZINC000652339211 431025911 /nfs/dbraw/zinc/02/59/11/431025911.db2.gz IBOMJNCIMZPBHQ-HXUWFJFHSA-N 2 0 324.472 2.983 20 0 DFADRP Cc1ccc(CC[N@@H+]2CCC[C@H]([C@@H]3C[C@H]([NH3+])CCO3)C2)cc1 ZINC000652348941 431027883 /nfs/dbraw/zinc/02/78/83/431027883.db2.gz WKZDRGBEZMUSOW-OTWHNJEPSA-N 2 0 302.462 2.756 20 0 DFADRP Fc1cccc(C[N@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)c1OC(F)F ZINC000662273003 431027945 /nfs/dbraw/zinc/02/79/45/431027945.db2.gz JGPAWXFRWBIPPV-TXEJJXNPSA-N 2 0 314.351 2.859 20 0 DFADRP C[C@@H]1CCCC[C@@H]1OCC[N@@H+]1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000652348223 431028493 /nfs/dbraw/zinc/02/84/93/431028493.db2.gz YEKLOFKKVIJVHR-HVMFNXBNSA-N 2 0 324.509 2.800 20 0 DFADRP Cc1[nH]c2ccccc2c1C(=O)CN1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000652352421 431028797 /nfs/dbraw/zinc/02/87/97/431028797.db2.gz UZOUUWUMSBLARW-LIRRHRJNSA-N 2 0 311.429 2.720 20 0 DFADRP C[C@@H]1[C@H](C(=O)Nc2ccc(C[NH+]3CCCC3)cc2)CC[N@@H+]1C ZINC000649208889 431029276 /nfs/dbraw/zinc/02/92/76/431029276.db2.gz ZAOGJJVFSPUFJO-RHSMWYFYSA-N 2 0 301.434 2.561 20 0 DFADRP COc1cccc(SCC[NH+]2CCC3(CC[NH2+]C3)CC2)c1 ZINC000662274745 431029692 /nfs/dbraw/zinc/02/96/92/431029692.db2.gz WRAWEZRBGVUNDG-UHFFFAOYSA-N 2 0 306.475 2.863 20 0 DFADRP CN(c1nc(C[N@@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)cs1)C1CC1 ZINC000662274454 431030289 /nfs/dbraw/zinc/03/02/89/431030289.db2.gz UIKZJXBYHFTNRZ-ZIAGYGMSSA-N 2 0 320.506 2.563 20 0 DFADRP C[C@H]1CCC[N@H+](CCCOc2ccc3c(c2)OCO3)[C@@H]1CC[NH3+] ZINC000652354746 431030906 /nfs/dbraw/zinc/03/09/06/431030906.db2.gz HFQPJEVXEBSWBU-GOEBONIOSA-N 2 0 320.433 2.634 20 0 DFADRP c1ccc([C@@H]2CC[C@@H](C[N@@H+]3CC[C@H](N4CC[NH2+]CC4)C3)C2)cc1 ZINC000662277636 431030994 /nfs/dbraw/zinc/03/09/94/431030994.db2.gz RAEYHOFLWFZDPK-RLLQIKCJSA-N 2 0 313.489 2.550 20 0 DFADRP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCC[N@@H+]2CCOc2ccccc2F)C1 ZINC000652360376 431032231 /nfs/dbraw/zinc/03/22/31/431032231.db2.gz GHQGYXWWULHCAT-KYJSFNMBSA-N 2 0 322.424 2.565 20 0 DFADRP c1cc(C[N@@H+]2CCC[C@H](OC3CCC3)C2)c2c(c1)C[NH2+]CC2 ZINC000662283684 431032328 /nfs/dbraw/zinc/03/23/28/431032328.db2.gz JJXUNEAAOGNPLB-SFHVURJKSA-N 2 0 300.446 2.866 20 0 DFADRP CC[C@H](CC(F)F)C[NH+]1CCC(n2ncc3c2C[NH2+]C3)CC1 ZINC000662283084 431032964 /nfs/dbraw/zinc/03/29/64/431032964.db2.gz KKXLQPMQGPVCGW-GFCCVEGCSA-N 2 0 312.408 2.805 20 0 DFADRP C[C@H](C(=O)Nc1ccccc1)[NH+]1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000662290396 431035184 /nfs/dbraw/zinc/03/51/84/431035184.db2.gz SPIHAQJOZPGLIL-WBVHZDCISA-N 2 0 315.461 2.725 20 0 DFADRP c1ccc(COCC[NH+]2CCC([C@@H]3CCC[NH2+]C3)CC2)cc1 ZINC000662295245 431037405 /nfs/dbraw/zinc/03/74/05/431037405.db2.gz UQOQMMHLOGGJCT-LJQANCHMSA-N 2 0 302.462 2.915 20 0 DFADRP c1coc(-c2noc(C[N@@H+]3CCC[C@@H](C4CC[NH2+]CC4)C3)n2)c1 ZINC000662295189 431037553 /nfs/dbraw/zinc/03/75/53/431037553.db2.gz FURGUBHGICNGEA-CQSZACIVSA-N 2 0 316.405 2.541 20 0 DFADRP FC(F)(F)COCCC[NH+]1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000662295335 431038020 /nfs/dbraw/zinc/03/80/20/431038020.db2.gz ZCMMCLLQUQXCDK-AWEZNQCLSA-N 2 0 308.388 2.667 20 0 DFADRP CN(CC[N@@H+]1CCC[C@H](C2CC[NH2+]CC2)C1)c1ccccc1 ZINC000662295609 431038205 /nfs/dbraw/zinc/03/82/05/431038205.db2.gz VSCCXGFEODRSLT-SFHVURJKSA-N 2 0 301.478 2.834 20 0 DFADRP C[C@@H]1CCC[N@H+](CC(=O)N2[C@@H](C)CCC[C@@H]2C)[C@@H]1CCC[NH3+] ZINC000662312999 431041679 /nfs/dbraw/zinc/04/16/79/431041679.db2.gz DYIVRDGWQSPMJI-LTIDMASMSA-N 2 0 309.498 2.615 20 0 DFADRP CC[N@H+](CCOc1ccccc1OC)CC[C@H]1CCC[NH2+]C1 ZINC000662324426 431045777 /nfs/dbraw/zinc/04/57/77/431045777.db2.gz XRXPHFYSKYNICH-MRXNPFEDSA-N 2 0 306.450 2.786 20 0 DFADRP C[C@H]1C[N@H+](CCCC2CC[NH2+]CC2)C[C@@H](CC(F)(F)F)O1 ZINC000662326319 431049174 /nfs/dbraw/zinc/04/91/74/431049174.db2.gz RHLDBVUZFHVWMU-GXTWGEPZSA-N 2 0 308.388 2.808 20 0 DFADRP C[C@@H]1C[N@H+](CCCC2CC[NH2+]CC2)C[C@@H](CC(F)(F)F)O1 ZINC000662326322 431049396 /nfs/dbraw/zinc/04/93/96/431049396.db2.gz RHLDBVUZFHVWMU-TZMCWYRMSA-N 2 0 308.388 2.808 20 0 DFADRP CC[C@@H]([NH2+]C)C(=O)NC[C@@H](c1cccs1)[NH+]1CCC(C)CC1 ZINC000662346801 431054097 /nfs/dbraw/zinc/05/40/97/431054097.db2.gz VALPOSPBEKMJLC-CABCVRRESA-N 2 0 323.506 2.635 20 0 DFADRP CC(C)([NH3+])CCC(=O)NCc1ccccc1C[NH+]1CCCCC1 ZINC000649282282 431055759 /nfs/dbraw/zinc/05/57/59/431055759.db2.gz QXCYZFWDBWCRSS-UHFFFAOYSA-N 2 0 317.477 2.806 20 0 DFADRP CC(C)([NH3+])CCC(=O)N[C@H](C[NH+]1CCCCC1)c1ccccc1 ZINC000649293801 431056983 /nfs/dbraw/zinc/05/69/83/431056983.db2.gz JDYFRPJMRSHZFT-QGZVFWFLSA-N 2 0 317.477 2.847 20 0 DFADRP O=C(Nc1ccc(C[NH+]2CCCC2)cc1)[C@@H]1C[C@@]12CCC[NH2+]C2 ZINC000655610344 431061591 /nfs/dbraw/zinc/06/15/91/431061591.db2.gz OBLPUPOVBVLBKV-PKOBYXMFSA-N 2 0 313.445 2.611 20 0 DFADRP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)C2CCC([NH3+])CC2)C1 ZINC000649311541 431062483 /nfs/dbraw/zinc/06/24/83/431062483.db2.gz YIXZUVHFLQXOIZ-MRLCAUJQSA-N 2 0 321.509 2.617 20 0 DFADRP O=C(Nc1ccc(C[NH+]2CCCCCC2)cc1)[C@@H]1C[C@H]2C[C@H]2[NH2+]1 ZINC000649311507 431062683 /nfs/dbraw/zinc/06/26/83/431062683.db2.gz VSNBDBQZKGDHOJ-NXHRZFHOSA-N 2 0 313.445 2.752 20 0 DFADRP CC(C)[C@@H]([NH3+])CC(=O)Nc1ccccc1NC1CC[NH+](C)CC1 ZINC000649315177 431064781 /nfs/dbraw/zinc/06/47/81/431064781.db2.gz RFZXLQJABORGCU-HNNXBMFYSA-N 2 0 318.465 2.505 20 0 DFADRP CC[NH+](CC)[C@@H](C)CNC(=O)c1ccc2c(c1)[C@@H](C[NH3+])CCC2 ZINC000662384538 431065590 /nfs/dbraw/zinc/06/55/90/431065590.db2.gz YPHQNQIMMRBYDW-WMLDXEAASA-N 2 0 317.477 2.525 20 0 DFADRP CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)C2CCC([NH3+])CC2)C1 ZINC000649331821 431067412 /nfs/dbraw/zinc/06/74/12/431067412.db2.gz YVCXMPGPSXZUKI-QQFBHYJXSA-N 2 0 309.498 2.521 20 0 DFADRP CC(C)C[C@H](C[NH3+])CC(=O)NCCCC[N@@H+]1CCCC[C@H]1C ZINC000662388906 431068440 /nfs/dbraw/zinc/06/84/40/431068440.db2.gz PWMXAHCBGRKIJQ-SJORKVTESA-N 2 0 311.514 2.768 20 0 DFADRP C[C@@H]1[NH2+]CC[C@@H]1C(=O)Nc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000645780467 431069021 /nfs/dbraw/zinc/06/90/21/431069021.db2.gz ROTKSLGQNMWYJC-YJBOKZPZSA-N 2 0 315.461 2.999 20 0 DFADRP C[N@@H+](Cc1ccc(Cl)c(Cl)c1)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662249216 431013426 /nfs/dbraw/zinc/01/34/26/431013426.db2.gz JRQMBZPEBHYILF-GFCCVEGCSA-N 2 0 315.244 2.946 20 0 DFADRP CC(C)C[C@](C)(C[NH3+])NC(=O)c1ccc2c(c1)[C@H](C[NH3+])CCC2 ZINC000659289008 431013884 /nfs/dbraw/zinc/01/38/84/431013884.db2.gz BAUUBUUERQIROI-QFBILLFUSA-N 2 0 317.477 2.559 20 0 DFADRP O=C(C[C@H]1[NH2+]Cc2ccccc21)NCC[NH2+]C1CCCCCC1 ZINC000659292277 431014167 /nfs/dbraw/zinc/01/41/67/431014167.db2.gz AETSGEGUFLRYLI-GOSISDBHSA-N 2 0 315.461 2.650 20 0 DFADRP CC(C)[C@H](CNC(=O)C1([NH3+])CC2(CCC2)C1)[NH+]1CCC(C)CC1 ZINC000659293006 431014354 /nfs/dbraw/zinc/01/43/54/431014354.db2.gz TYXZOWKCMYKDGD-INIZCTEOSA-N 2 0 321.509 2.521 20 0 DFADRP C[C@@H](C1CC1)[N@@H+](Cc1ccccc1)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662249925 431015270 /nfs/dbraw/zinc/01/52/70/431015270.db2.gz VLICTKVZKJHBQI-MAUKXSAKSA-N 2 0 300.446 2.808 20 0 DFADRP Clc1ccc(C[N@H+](C[C@H]2CCC3(C[NH2+]C3)O2)C2CC2)cc1 ZINC000662250281 431016991 /nfs/dbraw/zinc/01/69/91/431016991.db2.gz DAZHTVIBLHNIIK-MRXNPFEDSA-N 2 0 306.837 2.825 20 0 DFADRP C[C@@H]1[NH2+]CC[C@@H]1C(=O)Nc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000645502408 431018155 /nfs/dbraw/zinc/01/81/55/431018155.db2.gz GCDVSIIDBOQSNV-VKJFTORMSA-N 2 0 315.461 2.855 20 0 DFADRP Fc1ccc(C2CC[NH+](C[C@@H]3CCC4(C[NH2+]C4)O3)CC2)cc1F ZINC000662257367 431018104 /nfs/dbraw/zinc/01/81/04/431018104.db2.gz MYHBTFBYVCIFRF-HNNXBMFYSA-N 2 0 322.399 2.665 20 0 DFADRP C[C@@H]1C[N@H+](C[C@@H]2CCC3(C[NH2+]C3)O2)CC[C@H]1c1ccccc1 ZINC000662257538 431018824 /nfs/dbraw/zinc/01/88/24/431018824.db2.gz POTRFTZIJIJPKU-BPQIPLTHSA-N 2 0 300.446 2.633 20 0 DFADRP CCN(CCC[NH+](CC)CC)C(=O)c1cc2c(s1)CC[NH2+]C2 ZINC000662535420 431108863 /nfs/dbraw/zinc/10/88/63/431108863.db2.gz REXNQZBRHIAUKU-UHFFFAOYSA-N 2 0 323.506 2.588 20 0 DFADRP CC(C)[C@H]([NH3+])CC(=O)NCC(C)(C)[NH2+][C@H](C)c1ccccc1 ZINC000645927559 431117396 /nfs/dbraw/zinc/11/73/96/431117396.db2.gz SPUGYNZRLKEVSB-GDBMZVCRSA-N 2 0 305.466 2.605 20 0 DFADRP [NH3+]CC1(CC(=O)N2CCC([C@@H]3CCC[NH2+]C3)CC2)CCCCC1 ZINC000662592168 431124962 /nfs/dbraw/zinc/12/49/62/431124962.db2.gz XSQIVOHMCVGBFG-QGZVFWFLSA-N 2 0 321.509 2.524 20 0 DFADRP CC[NH2+]Cc1cccc(NC(=O)C[C@@H]2[NH2+]Cc3ccccc32)c1 ZINC000662399235 431071250 /nfs/dbraw/zinc/07/12/50/431071250.db2.gz QFYYOFGBKPZKRI-SFHVURJKSA-N 2 0 309.413 2.969 20 0 DFADRP C[N@@H+]1CCC[C@H](CNC(=O)CCC(C)(C)[NH3+])[C@@H]1c1cccs1 ZINC000649340912 431071455 /nfs/dbraw/zinc/07/14/55/431071455.db2.gz AMILREJCCAWCOT-CZUORRHYSA-N 2 0 323.506 2.765 20 0 DFADRP CC(C)(C)[N@@H+]1CC[C@@H](CNC(=O)CC[C@@H]([NH3+])c2ccccc2)C1 ZINC000662589351 431125199 /nfs/dbraw/zinc/12/51/99/431125199.db2.gz BMZUILMLKLTFSM-DOTOQJQBSA-N 2 0 317.477 2.703 20 0 DFADRP CC[NH+](CC)C[C@H](C)NC(=O)c1ccc2c(c1)[C@H](C[NH3+])CCC2 ZINC000662416448 431075908 /nfs/dbraw/zinc/07/59/08/431075908.db2.gz YGFPMYCRCUBVBR-YOEHRIQHSA-N 2 0 317.477 2.525 20 0 DFADRP CC[NH+](CC)Cc1ccc(C(=O)N2C[C@H](C[NH3+])[C@@H](C)C[C@@H]2C)o1 ZINC000649369307 431078767 /nfs/dbraw/zinc/07/87/67/431078767.db2.gz JNFJWEPLRQPQRI-KKUMJFAQSA-N 2 0 321.465 2.567 20 0 DFADRP CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)c1cccc2c1C[NH2+]C2 ZINC000662428493 431078883 /nfs/dbraw/zinc/07/88/83/431078883.db2.gz CICPVJZLEQZAPS-MRXNPFEDSA-N 2 0 315.461 2.674 20 0 DFADRP C[C@@H]1CCCC[N@@H+]1CCC1CCN(C(=O)C2([NH3+])CCCC2)CC1 ZINC000649378640 431081235 /nfs/dbraw/zinc/08/12/35/431081235.db2.gz PWUCBOIBZCNLED-MRXNPFEDSA-N 2 0 321.509 2.761 20 0 DFADRP C[C@H]1CCCC[N@@H+]1CCC1CCN(C(=O)C2([NH3+])CCCC2)CC1 ZINC000649378639 431081318 /nfs/dbraw/zinc/08/13/18/431081318.db2.gz PWUCBOIBZCNLED-INIZCTEOSA-N 2 0 321.509 2.761 20 0 DFADRP CC[NH+]1CCN(CCC[NH2+][C@@H]2CCc3cc(C)cc(C)c32)CC1 ZINC000655689055 431082337 /nfs/dbraw/zinc/08/23/37/431082337.db2.gz UELAQYOAZCFMMC-LJQANCHMSA-N 2 0 315.505 2.908 20 0 DFADRP C[N@@H+]1CCC[C@@H](N2CC[NH+](CC/C=C/c3ccccc3)CC2)C1 ZINC000649382196 431083441 /nfs/dbraw/zinc/08/34/41/431083441.db2.gz TWTMDGALMOUZKM-URZUPRTMSA-N 2 0 313.489 2.802 20 0 DFADRP C[N@@H+]1CCC[C@@H](N2CC[NH+](CC/C=C\c3ccccc3)CC2)C1 ZINC000649382193 431084277 /nfs/dbraw/zinc/08/42/77/431084277.db2.gz TWTMDGALMOUZKM-CSBXVMIQSA-N 2 0 313.489 2.802 20 0 DFADRP Cc1cc2c(c(C)c1)[C@@H]([NH2+]CCCN1CC[NH+](C)CC1)CC2 ZINC000655693584 431084577 /nfs/dbraw/zinc/08/45/77/431084577.db2.gz FLRRMMYKEQQJEM-SFHVURJKSA-N 2 0 301.478 2.518 20 0 DFADRP CC[C@@H]([NH2+]C)C(=O)NCC1([NH2+][C@H](C)c2ccccc2)CCCC1 ZINC000662452017 431084899 /nfs/dbraw/zinc/08/48/99/431084899.db2.gz OKKOCMDSUYSIKR-NVXWUHKLSA-N 2 0 317.477 2.764 20 0 DFADRP CC[C@H]([NH2+]C)C(=O)NC[C@@H](CC(C)C)[NH2+][C@@H](C)c1ccccc1 ZINC000662453424 431084976 /nfs/dbraw/zinc/08/49/76/431084976.db2.gz AEMCTLYRXXEPEQ-JQHSSLGASA-N 2 0 319.493 2.866 20 0 DFADRP CC(C)C[C@H](CNC(=O)C[NH2+]C(C)C)[NH2+][C@@H](C)c1ccccc1 ZINC000662453523 431085259 /nfs/dbraw/zinc/08/52/59/431085259.db2.gz BPRVZNWEKWOMJB-FUHWJXTLSA-N 2 0 319.493 2.866 20 0 DFADRP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)C[C@H]1[NH2+]Cc2ccccc21 ZINC000662458461 431087705 /nfs/dbraw/zinc/08/77/05/431087705.db2.gz MKWZTHVWMWORHJ-SJLPKXTDSA-N 2 0 315.461 2.602 20 0 DFADRP CC(C)c1nc2c(n1C)CC[N@H+](CCCC1CC[NH2+]CC1)C2 ZINC000649412875 431092854 /nfs/dbraw/zinc/09/28/54/431092854.db2.gz CHNRYQOZOOQPQX-UHFFFAOYSA-N 2 0 304.482 2.681 20 0 DFADRP Cc1nn(C)c(C)c1[C@H]1CCC[N@@H+]1CCCC1CC[NH2+]CC1 ZINC000649413041 431093982 /nfs/dbraw/zinc/09/39/82/431093982.db2.gz JDRWTNMXYFBBHY-QGZVFWFLSA-N 2 0 304.482 2.954 20 0 DFADRP c1ccc(NC[C@@H]2CC[N@@H+](CCCC3CC[NH2+]CC3)C2)nc1 ZINC000649414652 431095461 /nfs/dbraw/zinc/09/54/61/431095461.db2.gz OOXQMVKLMNASEA-KRWDZBQOSA-N 2 0 302.466 2.595 20 0 DFADRP CC(C)[NH+](CCCNC(=O)c1cc2c(s1)CC[NH2+]C2)C(C)C ZINC000662486788 431096147 /nfs/dbraw/zinc/09/61/47/431096147.db2.gz RAWRCIUCCSFVSV-UHFFFAOYSA-N 2 0 323.506 2.633 20 0 DFADRP Cc1ccnc(NC[C@H]2CC[N@H+](CCC3CC[NH2+]CC3)C2)c1 ZINC000649414504 431096966 /nfs/dbraw/zinc/09/69/66/431096966.db2.gz CIECHEYLIFNODQ-QGZVFWFLSA-N 2 0 302.466 2.514 20 0 DFADRP Cc1cnc(CC[NH+]2CCN(c3cnccc3C)CC2)c(C)c1 ZINC000645897414 431105912 /nfs/dbraw/zinc/10/59/12/431105912.db2.gz OFZMTPZHLONBSC-UHFFFAOYSA-N 2 0 310.445 2.767 20 0 DFADRP [NH3+][C@@H]1CCCCCC[C@@H]1C(=O)N1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662592362 431126184 /nfs/dbraw/zinc/12/61/84/431126184.db2.gz FRMLHSSLIBANOW-FGTMMUONSA-N 2 0 321.509 2.522 20 0 DFADRP CCN(CCC[NH+](CC)CC)C(=O)C[C@@H]1[NH2+]Cc2ccccc21 ZINC000662535841 431108367 /nfs/dbraw/zinc/10/83/67/431108367.db2.gz UVVFSUYQLSCSBA-SFHVURJKSA-N 2 0 317.477 2.801 20 0 DFADRP CC(C)(C)[N@@H+]1CC[C@H](CNC(=O)[C@H]([NH3+])CC2CCCCC2)C1 ZINC000662594454 431129157 /nfs/dbraw/zinc/12/91/57/431129157.db2.gz SSXIUSDRKVLYDU-HZPDHXFCSA-N 2 0 309.498 2.521 20 0 DFADRP OC1(C(F)(F)F)CCC([NH2+]Cc2ccc3c[nH+]cn3c2)CC1 ZINC000666152677 431129850 /nfs/dbraw/zinc/12/98/50/431129850.db2.gz WIWAFAZXHKGSSU-UHFFFAOYSA-N 2 0 313.323 2.660 20 0 DFADRP CC(C)N1CCCC[C@H]1C[N@H+](C)C[C@H]1CCn2ccnc2C1 ZINC000649501358 431126980 /nfs/dbraw/zinc/12/69/80/431126980.db2.gz HHBQOTZUBCEEFS-IRXDYDNUSA-N 2 0 304.482 2.640 20 0 DFADRP CCN(C[C@@H]1CC[N@H+](CC[C@@H]2CCC[NH+]2C)C1)CC(F)(F)F ZINC000124944758 279221919 /nfs/dbraw/zinc/22/19/19/279221919.db2.gz PTNXZBYJELGRMM-GJZGRUSLSA-N 2 0 321.431 2.677 20 0 DFADRP C[C@@H]([NH2+]CC[C@@H]1CCC[N@H+](C)C1)c1ccc2[nH]c(=O)oc2c1 ZINC000666172100 431136890 /nfs/dbraw/zinc/13/68/90/431136890.db2.gz ANYCFRLNYLOVBI-OLZOCXBDSA-N 2 0 303.406 2.916 20 0 DFADRP Cc1noc(C2CCC([NH2+][C@@H]3C[C@@H](C)[N@@H+](C)C[C@H]3C)CC2)n1 ZINC000371449890 279251955 /nfs/dbraw/zinc/25/19/55/279251955.db2.gz IWGOJKXJONLRDQ-SOCLWGNMSA-N 2 0 306.454 2.723 20 0 DFADRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+][C@H](C)c1ccc(F)cc1F ZINC000186580897 279263774 /nfs/dbraw/zinc/26/37/74/279263774.db2.gz MSQQXOUTZNNLAZ-ZIAGYGMSSA-N 2 0 311.420 2.641 20 0 DFADRP CC[N@@H+]1CCCC[C@H]1C(=O)NC[C@H](c1ccc(C)cc1)[NH+](C)C ZINC000354266423 279277689 /nfs/dbraw/zinc/27/76/89/279277689.db2.gz NMDURNVAMONPIO-ZWKOTPCHSA-N 2 0 317.477 2.588 20 0 DFADRP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@H]1C[C@@H](c2ccccc2)C1(C)C ZINC000248642165 279313696 /nfs/dbraw/zinc/31/36/96/279313696.db2.gz MYQUALXTNWOYHQ-NEWSRXKRSA-N 2 0 315.505 2.794 20 0 DFADRP CC[NH+](CC)Cc1cccc(NC(=O)[C@H]2[NH2+]CCC2(C)C)c1 ZINC000662684453 431163295 /nfs/dbraw/zinc/16/32/95/431163295.db2.gz ZECAAEWHBDUVRI-MRXNPFEDSA-N 2 0 303.450 2.855 20 0 DFADRP COCC1(C[NH2+][C@H](C)c2ccc(OCC[NH+](C)C)cc2)CC1 ZINC000655818012 431163683 /nfs/dbraw/zinc/16/36/83/431163683.db2.gz PEZNCLHJVPIJQK-OAHLLOKOSA-N 2 0 306.450 2.704 20 0 DFADRP COCC1(C[NH2+][C@H](C)c2cccc(OCC[NH+](C)C)c2)CC1 ZINC000655817473 431164877 /nfs/dbraw/zinc/16/48/77/431164877.db2.gz LFMXFHOJTLBEGA-OAHLLOKOSA-N 2 0 306.450 2.704 20 0 DFADRP CCN(C(=O)CC1([NH3+])CC1)[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000662693874 431166040 /nfs/dbraw/zinc/16/60/40/431166040.db2.gz MKUQPRJFOBIGMI-RDJZCZTQSA-N 2 0 315.461 2.552 20 0 DFADRP CC(C)[NH2+]CCC(=O)NC[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000646071465 431168029 /nfs/dbraw/zinc/16/80/29/431168029.db2.gz NWRIEGGBHWNMQJ-YOEHRIQHSA-N 2 0 323.506 2.635 20 0 DFADRP C[C@@H](C(=O)Nc1ccc(SCC[NH+]2CCCC2)cc1)[NH+](C)C ZINC000652871218 431172524 /nfs/dbraw/zinc/17/25/24/431172524.db2.gz BWNDCBCHXLHIKC-AWEZNQCLSA-N 2 0 321.490 2.763 20 0 DFADRP C[NH+](C)[C@H]1C[C@@H](C[NH2+]Cc2cc(O)cc(C(F)(F)F)c2)C1 ZINC000655824565 431172507 /nfs/dbraw/zinc/17/25/07/431172507.db2.gz MENJAWLMNWCDQS-BJHJDKERSA-N 2 0 302.340 2.841 20 0 DFADRP CC[C@@H](CC(F)F)C[N@H+](C)CC1CC[NH+](C[C@@H](C)O)CC1 ZINC000659892136 431176108 /nfs/dbraw/zinc/17/61/08/431176108.db2.gz RWZBIDSDCBJWKE-KGLIPLIRSA-N 2 0 306.441 2.692 20 0 DFADRP CCc1ncc(C[N@@H+]2CC[C@H](CNc3cc(C)cc[nH+]3)C2)cn1 ZINC000666302727 431184033 /nfs/dbraw/zinc/18/40/33/431184033.db2.gz BYMANCHBHCOWLG-OAHLLOKOSA-N 2 0 311.433 2.676 20 0 DFADRP COCC[C@H](c1ccccc1)[N@@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000646105839 431188981 /nfs/dbraw/zinc/18/89/81/431188981.db2.gz JMHSTQXBCOHTAL-GOSISDBHSA-N 2 0 318.461 2.561 20 0 DFADRP C[NH+]1CCC2(CC1)C[N@H+](Cc1ccc3ncccc3c1)CCO2 ZINC000646105861 431189634 /nfs/dbraw/zinc/18/96/34/431189634.db2.gz KBXULXWEXPAKRE-UHFFFAOYSA-N 2 0 311.429 2.531 20 0 DFADRP C[NH+]1CCC2(CC1)C[N@H+](CCCc1cccc(F)c1)CCO2 ZINC000646106475 431189733 /nfs/dbraw/zinc/18/97/33/431189733.db2.gz ZYYYXEXHLLEJTQ-UHFFFAOYSA-N 2 0 306.425 2.555 20 0 DFADRP C[NH+]1CCC2(CC1)C[N@H+](CCCCOc1ccccc1)CCO2 ZINC000646104507 431190308 /nfs/dbraw/zinc/19/03/08/431190308.db2.gz OOTCHUZJVLBVSL-UHFFFAOYSA-N 2 0 318.461 2.642 20 0 DFADRP C[NH+](C)CC(C)(C)CNC(=O)C1CC[NH+](CCC2CCC2)CC1 ZINC000659941720 431198793 /nfs/dbraw/zinc/19/87/93/431198793.db2.gz CJEVVAVPJJKOGS-UHFFFAOYSA-N 2 0 323.525 2.593 20 0 DFADRP CC(C)[C@@H]([NH3+])CC(=O)NC1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC000646014361 431148064 /nfs/dbraw/zinc/14/80/64/431148064.db2.gz CKFUGWYLNHLWQZ-QAPCUYQASA-N 2 0 317.477 2.702 20 0 DFADRP COCCc1nc(C)c([C@@H](C)[NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)s1 ZINC000655804809 431153755 /nfs/dbraw/zinc/15/37/55/431153755.db2.gz CJNXUDLXGFTLES-BNOWGMLFSA-N 2 0 311.495 2.631 20 0 DFADRP CC[NH+](CC)[C@@H](CNC(=O)[C@H]1C[C@H]([NH3+])C1)c1ccccc1Cl ZINC000662662603 431154020 /nfs/dbraw/zinc/15/40/20/431154020.db2.gz IAAXALCXSHGQGZ-XEZPLFJOSA-N 2 0 323.868 2.576 20 0 DFADRP [NH3+][C@H](CC(=O)N[C@H]1CC[N@@H+](C2CCCCC2)C1)c1ccccc1 ZINC000662668546 431156195 /nfs/dbraw/zinc/15/61/95/431156195.db2.gz OOPFMQILKYVBRF-FUHWJXTLSA-N 2 0 315.461 2.600 20 0 DFADRP Cc1ccccc1NC(=O)C[C@H](C)[NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000655805351 431156588 /nfs/dbraw/zinc/15/65/88/431156588.db2.gz GMDLYEAKEJSEMN-HRCADAONSA-N 2 0 303.450 2.642 20 0 DFADRP C[C@H]([NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000655805799 431157101 /nfs/dbraw/zinc/15/71/01/431157101.db2.gz SFINXLLBJIGEBD-IJXRJRJASA-N 3 0 315.505 2.827 20 0 DFADRP C[C@@H]1CN(Cc2ccccc2)CC[C@H]1[NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000655805584 431157142 /nfs/dbraw/zinc/15/71/42/431157142.db2.gz JESCUEJUCNWIDU-RSPOEFSDSA-N 2 0 315.505 2.827 20 0 DFADRP C[C@H](CC(=O)N[C@@H]1CC[N@@H+](C2CCCCC2)C1)[C@H]1CCC[NH2+]C1 ZINC000662667889 431157228 /nfs/dbraw/zinc/15/72/28/431157228.db2.gz DXWDNGLZWIAOPF-IXDOHACOSA-N 2 0 321.509 2.535 20 0 DFADRP CCO[C@@H]1C[C@@H]([NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)[C@H]1Oc1ccccc1 ZINC000655805754 431157352 /nfs/dbraw/zinc/15/73/52/431157352.db2.gz RXYUISOKQOFNTG-CSFFLVESSA-N 2 0 318.461 2.541 20 0 DFADRP C[C@H]1CCCC[C@H]1[NH+]1CCC([NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)CC1 ZINC000655805632 431158269 /nfs/dbraw/zinc/15/82/69/431158269.db2.gz JOULMQVMEBPIOO-RNIPGJKVSA-N 3 0 307.526 2.959 20 0 DFADRP CC(C)[NH+]1CCC(N(C)C(=O)C[C@@H]2[NH2+]Cc3ccccc32)CC1 ZINC000662673448 431159182 /nfs/dbraw/zinc/15/91/82/431159182.db2.gz KZQIJXCSPJTBDA-SFHVURJKSA-N 2 0 315.461 2.552 20 0 DFADRP Cc1ccc(C[N@@H+]2CCC[C@H](n3cc(C[NH3+])nn3)C2)c(Cl)c1 ZINC000655940286 431226602 /nfs/dbraw/zinc/22/66/02/431226602.db2.gz QHQIYXPOUPHQCY-HNNXBMFYSA-N 2 0 319.840 2.536 20 0 DFADRP C[N@@H+]1CCC[C@@H](N2CC[NH+](C[C@@H]3CCCCC3(C)C)CC2)C1 ZINC000660074806 431258615 /nfs/dbraw/zinc/25/86/15/431258615.db2.gz QMAFGRSGJCZGEQ-ZWKOTPCHSA-N 2 0 307.526 2.915 20 0 DFADRP Cc1cc(NC(=O)NC[C@@H]2CC[N@@H+]2Cc2ccccc2)c(C)cn1 ZINC000666495629 431253247 /nfs/dbraw/zinc/25/32/47/431253247.db2.gz MBURFAROURHPIN-KRWDZBQOSA-N 2 0 324.428 2.516 20 0 DFADRP FC1(F)C[C@@H]1OCC[NH+]1CCC(CCC[NH+]2CCCC2)CC1 ZINC000660122390 431281553 /nfs/dbraw/zinc/28/15/53/431281553.db2.gz WKJFUFALXOTRCX-INIZCTEOSA-N 2 0 316.436 2.999 20 0 DFADRP CC(C)[N@H+](C)C[C@H](O)CN1[C@H](C)Cc2cc(F)ccc2[C@@H]1C ZINC000660165180 431298696 /nfs/dbraw/zinc/29/86/96/431298696.db2.gz UQYRHLSKWYQDTD-KEYYUXOJSA-N 2 0 308.441 2.834 20 0 DFADRP Cc1ccccc1CN1CCC[N@@H+](C[C@@H]2CC[NH2+][C@H](C)C2)CC1 ZINC000666619072 431300191 /nfs/dbraw/zinc/30/01/91/431300191.db2.gz UMVGHZXBOPZPNO-RTBURBONSA-N 2 0 315.505 2.891 20 0 DFADRP CCC[NH2+][C@@H](C)C(=O)N[C@@H](C[NH+]1CCCCC1)c1ccccc1 ZINC000646408829 431300764 /nfs/dbraw/zinc/30/07/64/431300764.db2.gz LRFJNOFXLUASIA-WMZOPIPTSA-N 2 0 317.477 2.718 20 0 DFADRP CCc1csc(CC2CC[NH+](C[C@@]3(C)CC[NH2+]C3)CC2)n1 ZINC000656193334 431302429 /nfs/dbraw/zinc/30/24/29/431302429.db2.gz GXXQHMBCYNXNLI-KRWDZBQOSA-N 2 0 307.507 2.960 20 0 DFADRP CCc1csc(CC2CC[NH+](C[C@]3(C)CC[NH2+]C3)CC2)n1 ZINC000656193335 431302663 /nfs/dbraw/zinc/30/26/63/431302663.db2.gz GXXQHMBCYNXNLI-QGZVFWFLSA-N 2 0 307.507 2.960 20 0 DFADRP CC[N@H+](CCCNC(=O)[C@@H](C(C)C)[C@@H](C)[NH3+])C1CCCCC1 ZINC000653200636 431306325 /nfs/dbraw/zinc/30/63/25/431306325.db2.gz KZAJUVBXPNHEGX-WBVHZDCISA-N 2 0 311.514 2.767 20 0 DFADRP CC[N@H+](CCCNC(=O)[C@H]1CCC[C@H]1C[NH3+])C1CCCCC1 ZINC000653200714 431306563 /nfs/dbraw/zinc/30/65/63/431306563.db2.gz MYWFPCSOUWDCDW-RDJZCZTQSA-N 2 0 309.498 2.522 20 0 DFADRP CC[NH+](CC)[C@H](CNC(=O)[C@H]1CCC[NH2+]CC1)c1ccsc1 ZINC000653110063 431271450 /nfs/dbraw/zinc/27/14/50/431271450.db2.gz WSAPOBSQAVQRON-GOEBONIOSA-N 2 0 323.506 2.637 20 0 DFADRP C[C@@H]1C[NH+](CC2CC[NH+](CCC(F)(F)F)CC2)C[C@@H](C)O1 ZINC000369583408 288152835 /nfs/dbraw/zinc/15/28/35/288152835.db2.gz ILKOKSXJHKGVMW-CHWSQXEVSA-N 2 0 308.388 2.760 20 0 DFADRP CC(C)[C@@H]([NH3+])C(=O)Nc1ccc(SCC[NH+]2CCCC2)cc1 ZINC000653253437 431336590 /nfs/dbraw/zinc/33/65/90/431336590.db2.gz UFOOOFABEIOLCB-MRXNPFEDSA-N 2 0 321.490 2.796 20 0 DFADRP C[C@@H]([NH3+])[C@H](C)C(=O)Nc1ccc(SCC[NH+]2CCCC2)cc1 ZINC000653253060 431336817 /nfs/dbraw/zinc/33/68/17/431336817.db2.gz FQAQFKRJILMRHL-UONOGXRCSA-N 2 0 321.490 2.796 20 0 DFADRP CC[NH+](CC)Cc1cccc(NC(=O)C[N@@H+]2CC[C@H](C)C2)c1 ZINC000646653340 431362230 /nfs/dbraw/zinc/36/22/30/431362230.db2.gz AGVDYVLLNSDPAL-HNNXBMFYSA-N 2 0 303.450 2.809 20 0 DFADRP CC(C)[N@H+](C)C[C@@H](O)C[NH+]1CCC[C@@]1(C)Cc1ccccc1 ZINC000660291147 431362972 /nfs/dbraw/zinc/36/29/72/431362972.db2.gz VLWGRKDKHFPANM-MOPGFXCFSA-N 2 0 304.478 2.785 20 0 DFADRP Cc1cc(CNC[C@@H]2C[C@H](F)C[NH2+]2)ccc1Oc1cccnc1 ZINC000666945539 431418992 /nfs/dbraw/zinc/41/89/92/431418992.db2.gz WKGYLHGDGKQJMJ-HOTGVXAUSA-N 2 0 315.392 2.972 20 0 DFADRP COc1cccc(C[NH2+][C@@H]2CC23CC[NH2+]CC3)c1OC(C)C ZINC000666950790 431419221 /nfs/dbraw/zinc/41/92/21/431419221.db2.gz HZPUBHQYOGKNAG-MRXNPFEDSA-N 2 0 304.434 2.714 20 0 DFADRP FC(F)(F)COc1ccc(C[NH2+][C@@H]2CC23CC[NH2+]CC3)cc1 ZINC000666952145 431422300 /nfs/dbraw/zinc/42/23/00/431422300.db2.gz HSWJRPZGHQVPBJ-CQSZACIVSA-N 2 0 314.351 2.859 20 0 DFADRP c1ccc(OCc2cccnc2)c(C[NH2+][C@@H]2CC23CC[NH2+]CC3)c1 ZINC000666954517 431422334 /nfs/dbraw/zinc/42/23/34/431422334.db2.gz XCAAFRJOVJZFOQ-LJQANCHMSA-N 2 0 323.440 2.892 20 0 DFADRP Cc1ccc(C[NH2+][C@H]2CC23CC[NH2+]CC3)c(-c2cnn(C)c2)c1 ZINC000666955419 431422684 /nfs/dbraw/zinc/42/26/84/431422684.db2.gz IKKQCDXSIVWFRQ-SFHVURJKSA-N 2 0 310.445 2.627 20 0 DFADRP CCc1ccccc1NC(=O)C[C@H](C)[NH2+][C@@H]1CC12CC[NH2+]CC2 ZINC000666953609 431422749 /nfs/dbraw/zinc/42/27/49/431422749.db2.gz BWZHQLCMUDAPMG-WMLDXEAASA-N 2 0 315.461 2.698 20 0 DFADRP COc1ccc(C[NH2+][C@@H]2CC23CC[NH2+]CC3)c(Cl)c1OC ZINC000666952104 431422911 /nfs/dbraw/zinc/42/29/11/431422911.db2.gz GDPGUQDHLXXVKZ-CYBMUJFWSA-N 2 0 310.825 2.589 20 0 DFADRP [NH3+][C@H]1CCC[C@@H]([NH2+]Cc2cnn(Cc3ccccc3Cl)c2)C1 ZINC000666852285 431384369 /nfs/dbraw/zinc/38/43/69/431384369.db2.gz ZBNXIEOEIPIHNK-JKSUJKDBSA-N 2 0 318.852 2.944 20 0 DFADRP CN(C(=O)CC[NH2+][C@@H](CC[NH+](C)C)C(C)(C)C)c1ccccc1 ZINC000663360572 431385306 /nfs/dbraw/zinc/38/53/06/431385306.db2.gz XMICFNWTGQQFBE-KRWDZBQOSA-N 2 0 319.493 2.996 20 0 DFADRP CC[C@@H](O)C[NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CC12CCC2 ZINC000663369225 431390461 /nfs/dbraw/zinc/39/04/61/431390461.db2.gz ZESZMGJRWMQRDA-QZTJIDSGSA-N 2 0 302.462 2.649 20 0 DFADRP O=C(CC[NH2+]CC1CC[NH+](CC2CC2)CC1)Nc1ccccc1 ZINC000663376014 431393165 /nfs/dbraw/zinc/39/31/65/431393165.db2.gz ZFZLQTXECIAKDR-UHFFFAOYSA-N 2 0 315.461 2.727 20 0 DFADRP C[C@@H]([NH2+]Cc1cnccc1C(F)(F)F)C1CC[NH+](C)CC1 ZINC000663475376 431437292 /nfs/dbraw/zinc/43/72/92/431437292.db2.gz WQRDGKSZUPZVCS-LLVKDONJSA-N 2 0 301.356 2.920 20 0 DFADRP c1csc(-c2n[nH]cc2C[NH2+][C@@H]2CC[NH2+]C3(CCC3)C2)c1 ZINC000666998449 431439730 /nfs/dbraw/zinc/43/97/30/431439730.db2.gz UTBHCCHKTCJBJB-CYBMUJFWSA-N 2 0 302.447 2.903 20 0 DFADRP CC[C@@H]1CN(C(=O)CC[C@@H]([NH3+])CC2CCCCC2)CC[C@@H]1[NH3+] ZINC000647005866 431443925 /nfs/dbraw/zinc/44/39/25/431443925.db2.gz HIDZJCPSIVLBGM-ZACQAIPSSA-N 2 0 309.498 2.650 20 0 DFADRP Cn1ccc([C@H]([NH2+]C2CCC([NH3+])CC2)c2ccc(F)cc2)n1 ZINC000667011162 431444772 /nfs/dbraw/zinc/44/47/72/431444772.db2.gz AKJFBWNPJQNAHT-VMBOVVBDSA-N 2 0 302.397 2.508 20 0 DFADRP CC[C@@H]1CCC[C@H]([NH2+]C2CCN(C(=O)CCC[NH2+]C)CC2)C1 ZINC000663505510 431447383 /nfs/dbraw/zinc/44/73/83/431447383.db2.gz JMNQVIIZJUTKAQ-WBVHZDCISA-N 2 0 309.498 2.535 20 0 DFADRP CC[N@H+](CCOc1ccccc1OC)C[C@H]1CC[NH2+][C@@H](C)C1 ZINC000663503006 431448959 /nfs/dbraw/zinc/44/89/59/431448959.db2.gz LIFGQAZLTMGEEU-HOTGVXAUSA-N 2 0 306.450 2.784 20 0 DFADRP CCc1ccccc1CC[N@@H+]1CCC[C@@H](N2CCOCC2)CC1 ZINC000660476711 431449729 /nfs/dbraw/zinc/44/97/29/431449729.db2.gz FDUHLTOLLCFQAF-HXUWFJFHSA-N 2 0 316.489 2.978 20 0 DFADRP CCc1ccccc1[C@H]([NH3+])CNC(=O)CC[C@H]1CCCC[N@@H+]1C ZINC000647084391 431455777 /nfs/dbraw/zinc/45/57/77/431455777.db2.gz WPVZNUQWDGXZGG-SJLPKXTDSA-N 2 0 317.477 2.630 20 0 DFADRP CCC[C@@H](NC[C@@H](O)C[N@H+](C)CC)c1ccc(F)cc1F ZINC000653607064 431457766 /nfs/dbraw/zinc/45/77/66/431457766.db2.gz RNGLNQRVZZLTTI-CZUORRHYSA-N 2 0 300.393 2.708 20 0 DFADRP C[NH+](C)Cc1ccc(-c2noc([C@H]3C[NH2+]CCC3(F)F)n2)cc1 ZINC000647121324 431465643 /nfs/dbraw/zinc/46/56/43/431465643.db2.gz HUSKMNCXRUAXGF-CYBMUJFWSA-N 2 0 322.359 2.510 20 0 DFADRP CC(C)C[C@H]([NH3+])c1noc(C2(c3ccccc3)CC[NH2+]CC2)n1 ZINC000647129885 431468393 /nfs/dbraw/zinc/46/83/93/431468393.db2.gz HYRIBQVTCJACRW-HNNXBMFYSA-N 2 0 314.433 2.785 20 0 DFADRP CC(C)[C@H](C)[NH+]1CCN([C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000660536216 431477754 /nfs/dbraw/zinc/47/77/54/431477754.db2.gz FNDRTWTWPVGMIF-ICSRJNTNSA-N 2 0 315.505 2.923 20 0 DFADRP CCn1nccc1C[NH2+][C@H](C)c1ccc(OCC[NH+](C)C)cc1 ZINC000663467205 431431288 /nfs/dbraw/zinc/43/12/88/431431288.db2.gz FUHANNXGRZFEIR-OAHLLOKOSA-N 2 0 316.449 2.694 20 0 DFADRP CO[C@@H]1[C@H](C)[C@H]([NH2+]C[C@H]2CCC[N@H+](CC3CC3)C2)C12CCC2 ZINC000663468554 431435320 /nfs/dbraw/zinc/43/53/20/431435320.db2.gz MBYYMOXIYHDUCV-NRSFXHEJSA-N 2 0 306.494 2.902 20 0 DFADRP C[C@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](CCCc2cncn2C)C1 ZINC000653556728 431436846 /nfs/dbraw/zinc/43/68/46/431436846.db2.gz FVYUIDIYCPLMCO-ROUUACIJSA-N 2 0 318.509 2.939 20 0 DFADRP c1cc(C[N@@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)cc2c1OCC2 ZINC000656783900 431519270 /nfs/dbraw/zinc/51/92/70/431519270.db2.gz BCNGMTIHNOSSTA-SFHVURJKSA-N 2 0 300.446 2.833 20 0 DFADRP CCN(C)c1ccc(C[N@@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)cn1 ZINC000656783357 431519365 /nfs/dbraw/zinc/51/93/65/431519365.db2.gz PWJALFULLALBTF-GOSISDBHSA-N 2 0 316.493 2.749 20 0 DFADRP COc1cc(C[N@@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)cc(OC)c1 ZINC000656784326 431520029 /nfs/dbraw/zinc/52/00/29/431520029.db2.gz COFCIYYGUMCZBX-QGZVFWFLSA-N 2 0 318.461 2.915 20 0 DFADRP COc1ccc(C[NH+]2CCC([C@@H]3CCC[NH2+]C3)CC2)c(OC)c1 ZINC000656785949 431522599 /nfs/dbraw/zinc/52/25/99/431522599.db2.gz NTNFYJXUFYOCCX-MRXNPFEDSA-N 2 0 318.461 2.915 20 0 DFADRP C[C@H]([NH2+]C[C@H]1CCN(c2ccccc2Cl)C1)[C@H]1CC[NH2+]C1 ZINC000656787596 431523110 /nfs/dbraw/zinc/52/31/10/431523110.db2.gz OJZZRGBSALXRME-ZNMIVQPWSA-N 2 0 307.869 2.754 20 0 DFADRP C[C@H]([NH2+]C[C@@H]1CCN(c2ccccc2Cl)C1)[C@H]1CC[NH2+]C1 ZINC000656787593 431523838 /nfs/dbraw/zinc/52/38/38/431523838.db2.gz OJZZRGBSALXRME-KKUMJFAQSA-N 2 0 307.869 2.754 20 0 DFADRP CCc1ccccc1NC(=O)C[C@@H](C)[NH2+]CC1([NH3+])CCCC1 ZINC000656788810 431526589 /nfs/dbraw/zinc/52/65/89/431526589.db2.gz CRMYBHMNIVRPAZ-CQSZACIVSA-N 2 0 303.450 2.827 20 0 DFADRP C[C@H]1COCC[C@@H]1[NH2+]Cc1ccc(OC2CC[NH+](C)CC2)cc1 ZINC000284353790 279918437 /nfs/dbraw/zinc/91/84/37/279918437.db2.gz MMLSLGHFEDUJOI-KXBFYZLASA-N 2 0 318.461 2.674 20 0 DFADRP COc1ccc(C[N@H+](C[C@H](O)C[NH+](C)C(C)C)C(C)(C)C)cc1 ZINC000660564100 431497157 /nfs/dbraw/zinc/49/71/57/431497157.db2.gz YZILZACYDLPYLQ-QGZVFWFLSA-N 2 0 322.493 2.997 20 0 DFADRP FC1(F)CCC([NH2+]C2CC[NH+](C[C@H]3CCOC3)CC2)CC1 ZINC000647184494 431498118 /nfs/dbraw/zinc/49/81/18/431498118.db2.gz KJJKCDYQMYAXLY-CYBMUJFWSA-N 2 0 302.409 2.655 20 0 DFADRP CCC[NH+]1CCC(NC[C@@H]2C[N@H+](C)C[C@H]2c2ccccc2)CC1 ZINC000647344625 431558977 /nfs/dbraw/zinc/55/89/77/431558977.db2.gz VTDHRHDAOQUSAC-QUCCMNQESA-N 2 0 315.505 2.796 20 0 DFADRP C[C@H](c1ccccc1)[C@H](O)C[N@@H+]1CCC[C@@]2(CC[NH+](C)C2)C1 ZINC000660661313 431534418 /nfs/dbraw/zinc/53/44/18/431534418.db2.gz CFKZDEFYOGGNJG-QRQLOZEOSA-N 2 0 302.462 2.569 20 0 DFADRP Cn1c2ccccc2nc1CC[N@@H+]1CCC[C@@]2(CC[NH+](C)C2)C1 ZINC000660658831 431534452 /nfs/dbraw/zinc/53/44/52/431534452.db2.gz HTEVRNUWKNJGNB-IBGZPJMESA-N 2 0 312.461 2.534 20 0 DFADRP C[N@@H+]1CC[C@]2(C1)CCC[NH+](C[C@@H](O)Cc1cccc(Cl)c1)C2 ZINC000660661262 431535180 /nfs/dbraw/zinc/53/51/80/431535180.db2.gz BZKZTPSRWNWLOW-ROUUACIJSA-N 2 0 322.880 2.661 20 0 DFADRP CC[NH+]1CCN([C@H](C)C[NH2+][C@@H](CC(C)C)c2ccncc2)CC1 ZINC000647282690 431535356 /nfs/dbraw/zinc/53/53/56/431535356.db2.gz MHXCVKFAFAGRIR-MJGOQNOKSA-N 2 0 318.509 2.784 20 0 DFADRP CC(C)C[C@@H]([NH2+]C[C@H](C)CN1CC[NH+](C)CC1)c1ccncc1 ZINC000647287761 431540227 /nfs/dbraw/zinc/54/02/27/431540227.db2.gz RPGMRIBCPZEQSF-PKOBYXMFSA-N 2 0 318.509 2.642 20 0 DFADRP C[C@@H]1C[C@@H](C)C[NH+](CCN2CC[N@H+](C)C3(CCCCC3)C2)C1 ZINC000660673391 431545553 /nfs/dbraw/zinc/54/55/53/431545553.db2.gz SJVOTROXZXKESR-QZTJIDSGSA-N 2 0 307.526 2.915 20 0 DFADRP C[C@@H]([NH2+]C[C@@H]1CSc2ccccc2O1)C1CC[NH+](C)CC1 ZINC000647314078 431547023 /nfs/dbraw/zinc/54/70/23/431547023.db2.gz MPVZWLGMNRUGNR-UKRRQHHQSA-N 2 0 306.475 2.860 20 0 DFADRP CC(C)[C@@H]1C[C@H]([NH2+]CC2(O)CC[NH+](C)CC2)c2ccccc21 ZINC000278793788 280031557 /nfs/dbraw/zinc/03/15/57/280031557.db2.gz QOQSUKPLRXHMAH-ROUUACIJSA-N 2 0 302.462 2.917 20 0 DFADRP CCCC[N@H+](C[C@@H](O)C[NH+](C)C(C)C)[C@@H]1CCCC[C@H]1OC ZINC000660724867 431566210 /nfs/dbraw/zinc/56/62/10/431566210.db2.gz HZIWZZXMXPIFMC-RCCFBDPRSA-N 2 0 314.514 2.747 20 0 DFADRP CC[C@@H](Cc1ccccc1)[NH2+]CCCN1CCC[N@H+](C)CC1 ZINC000128491563 280162251 /nfs/dbraw/zinc/16/22/51/280162251.db2.gz ZMHPDOZGMJFYEE-IBGZPJMESA-N 2 0 303.494 2.625 20 0 DFADRP CC(C)[C@H](C(=O)NC[C@H](C)[N@@H+]1CCC[C@@H](C)C1)[NH+]1CCCCC1 ZINC000354632306 280174525 /nfs/dbraw/zinc/17/45/25/280174525.db2.gz LYTHRPVNRUVCSL-FGTMMUONSA-N 2 0 323.525 2.734 20 0 DFADRP Cc1cn2c(C[NH2+]Cc3ccc4c[nH+]cn4c3)c(C)nc2s1 ZINC000656985015 431573113 /nfs/dbraw/zinc/57/31/13/431573113.db2.gz FTBOMXVYODQEEZ-UHFFFAOYSA-N 2 0 311.414 2.950 20 0 DFADRP C[C@@H]1CCCC[N@@H+]1CCCNCc1ccnn1-c1cc[nH+]cc1 ZINC000657293475 431652141 /nfs/dbraw/zinc/65/21/41/431652141.db2.gz NVUPBYKHTGFTQF-MRXNPFEDSA-N 2 0 313.449 2.621 20 0 DFADRP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCC[N@H+](Cc3cccc(F)c3F)C2)C1 ZINC000650706107 431652796 /nfs/dbraw/zinc/65/27/96/431652796.db2.gz DIBIOVQFJKWPRW-JGGQBBKZSA-N 2 0 310.388 2.683 20 0 DFADRP Cc1cc(C[N@@H+]2CCC[C@H]([C@@H]3C[C@@H]([NH3+])CCO3)C2)ccc1F ZINC000650707080 431653014 /nfs/dbraw/zinc/65/30/14/431653014.db2.gz YDBQHQPLNPAWRU-BQFCYCMXSA-N 2 0 306.425 2.852 20 0 DFADRP CCOc1ccc(C[N@@H+]2CCC[C@H]([C@H]3C[C@H]([NH3+])CCO3)C2)cc1 ZINC000650705532 431654312 /nfs/dbraw/zinc/65/43/12/431654312.db2.gz KORYBVZDMRMLSA-YQVWRLOYSA-N 2 0 318.461 2.804 20 0 DFADRP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCC[N@H+](Cc3ccc4c(c3)CCC4)C2)C1 ZINC000650706396 431655141 /nfs/dbraw/zinc/65/51/41/431655141.db2.gz JRRLORKYYZXBPK-VAMGGRTRSA-N 2 0 314.473 2.894 20 0 DFADRP C[C@@H]1CCC[N@H+](Cc2cc(-n3ccnc3)cs2)[C@H]1CC[NH3+] ZINC000650711109 431656204 /nfs/dbraw/zinc/65/62/04/431656204.db2.gz ITZVOTVNMQJBSG-CJNGLKHVSA-N 2 0 304.463 2.883 20 0 DFADRP C[C@H]1CCC[N@H+](Cc2ccc(OCC[NH+](C)C)cc2)[C@H]1CC[NH3+] ZINC000650711023 431656897 /nfs/dbraw/zinc/65/68/97/431656897.db2.gz GMEUWSNIUWVHON-LPHOPBHVSA-N 3 0 319.493 2.576 20 0 DFADRP COCCOc1cccc(C[N@@H+]2CCC[C@H](C)[C@@H]2CC[NH3+])c1 ZINC000650710880 431657709 /nfs/dbraw/zinc/65/77/09/431657709.db2.gz BLTTWCBVEFMPBR-YJBOKZPZSA-N 2 0 306.450 2.661 20 0 DFADRP CC(C)c1cnc(C[N@@H+]2CCC[C@H]([C@H]3C[C@@H]([NH3+])CCO3)C2)s1 ZINC000650708434 431657860 /nfs/dbraw/zinc/65/78/60/431657860.db2.gz ZLJPRUSDMOOZSK-SOUVJXGZSA-N 2 0 323.506 2.985 20 0 DFADRP CCN(CC)c1ncc(C[N@@H+]2CCC[C@H](C)[C@@H]2CC[NH3+])s1 ZINC000650711359 431658075 /nfs/dbraw/zinc/65/80/75/431658075.db2.gz QVEJMNDVOHXAAK-ZFWWWQNUSA-N 2 0 310.511 2.939 20 0 DFADRP COc1ccc(C[NH2+]CCC2(C[NH3+])CC2)cc1OCC(C)C ZINC000650712027 431659420 /nfs/dbraw/zinc/65/94/20/431659420.db2.gz NKLBBNFYBRQXQG-UHFFFAOYSA-N 2 0 306.450 2.949 20 0 DFADRP Cc1cccc(NC(=O)C[C@@H](C)[NH2+]CCC2(C[NH3+])CC2)c1C ZINC000650713628 431659784 /nfs/dbraw/zinc/65/97/84/431659784.db2.gz YGWXNRGXESCXCF-CQSZACIVSA-N 2 0 303.450 2.739 20 0 DFADRP CC[C@@H]1C[N@H+](Cc2c[nH]nc2-c2ccc(OC)cc2)CC[C@H]1[NH3+] ZINC000647498187 431606945 /nfs/dbraw/zinc/60/69/45/431606945.db2.gz CGSDJXCXXIPJTD-CXAGYDPISA-N 2 0 314.433 2.645 20 0 DFADRP CCOCc1cc(C[N@@H+]2CC[C@@H]([NH3+])[C@@H](CC)C2)ccc1OC ZINC000647498880 431609114 /nfs/dbraw/zinc/60/91/14/431609114.db2.gz SNKWQRPYBVYXOF-DOTOQJQBSA-N 2 0 306.450 2.791 20 0 DFADRP CC[C@@H]1C[N@H+](Cc2c[nH]nc2-c2cccc(OC)c2)CC[C@@H]1[NH3+] ZINC000647498533 431609224 /nfs/dbraw/zinc/60/92/24/431609224.db2.gz JTYFYWPEAHTBPX-DYVFJYSZSA-N 2 0 314.433 2.645 20 0 DFADRP Cc1ccccc1C[N@@H+]1CCCN(C[C@@]2(C)CC[NH2+]C2)CC1 ZINC000647513774 431611751 /nfs/dbraw/zinc/61/17/51/431611751.db2.gz CAUHPTSUPBCQDE-IBGZPJMESA-N 2 0 301.478 2.502 20 0 DFADRP COc1cccc(-c2n[nH]cc2C[N@@H+]2CCC[C@@H](CC[NH3+])C2)c1 ZINC000647535631 431618764 /nfs/dbraw/zinc/61/87/64/431618764.db2.gz FNYAJNDNJDJRPQ-AWEZNQCLSA-N 2 0 314.433 2.646 20 0 DFADRP Cc1ccc(-c2nn(C)cc2C[N@@H+]2CCC[C@@H](CC[NH3+])C2)o1 ZINC000647535815 431619338 /nfs/dbraw/zinc/61/93/38/431619338.db2.gz RRAWQOKEDRTRIC-AWEZNQCLSA-N 2 0 302.422 2.549 20 0 DFADRP C(c1nc2c(s1)CCC2)[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647542755 431621514 /nfs/dbraw/zinc/62/15/14/431621514.db2.gz BKZNNZLHYLIWPV-UONOGXRCSA-N 2 0 305.491 2.843 20 0 DFADRP c1cc(C[N@@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)cc2c1OCC2 ZINC000647544093 431624047 /nfs/dbraw/zinc/62/40/47/431624047.db2.gz WRCHNEYOCHDKNX-MSOLQXFVSA-N 2 0 300.446 2.833 20 0 DFADRP Cn1c2ccccc2nc1C[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647543334 431624432 /nfs/dbraw/zinc/62/44/32/431624432.db2.gz LEKLSIAYWNMVQC-HOTGVXAUSA-N 2 0 312.461 2.785 20 0 DFADRP C[NH2+]Cc1ccccc1C[NH2+]Cc1cccc(OC)c1OC ZINC000650718544 431661034 /nfs/dbraw/zinc/66/10/34/431661034.db2.gz QTMMUFRIAHMDKG-UHFFFAOYSA-N 2 0 300.402 2.713 20 0 DFADRP CC(C)c1ccc([C@H](N)C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC000647546679 431625288 /nfs/dbraw/zinc/62/52/88/431625288.db2.gz VRBGUYVIXSKTSA-FCGDIQPGSA-N 2 0 301.478 2.788 20 0 DFADRP COc1ccc(C[N@@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)cc1O ZINC000647543879 431625673 /nfs/dbraw/zinc/62/56/73/431625673.db2.gz TVUJASFXAAUPAE-HZPDHXFCSA-N 2 0 304.434 2.612 20 0 DFADRP FC(F)(F)c1csc(C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)n1 ZINC000647550476 431627242 /nfs/dbraw/zinc/62/72/42/431627242.db2.gz RUYSCPFSUBBSLH-LPEHRKFASA-N 2 0 305.369 2.640 20 0 DFADRP CC1(C)C[C@H]([NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)c2cc(N)ccc2O1 ZINC000647548214 431629062 /nfs/dbraw/zinc/62/90/62/431629062.db2.gz ZLHVUSCTLRZCGT-LBEHMCEESA-N 2 0 315.461 2.849 20 0 DFADRP CCc1cccc2cc(CNC[C@@H](O)C[NH+]3CCCCC3)oc21 ZINC000657326268 431675290 /nfs/dbraw/zinc/67/52/90/431675290.db2.gz OKAIVSBMAPGKPW-QGZVFWFLSA-N 2 0 316.445 2.932 20 0 DFADRP C[C@@H]([NH2+]CCC1(C[NH3+])CC1)c1ncc(Br)s1 ZINC000650745610 431677332 /nfs/dbraw/zinc/67/73/32/431677332.db2.gz KNGBVAUFTCUNKG-MRVPVSSYSA-N 2 0 304.257 2.685 20 0 DFADRP Cc1ncc(C[NH2+]CC2CC[NH+](Cc3ccccc3)CC2)n1C ZINC000657329410 431678368 /nfs/dbraw/zinc/67/83/68/431678368.db2.gz QMULNKXWHKQEFU-UHFFFAOYSA-N 2 0 312.461 2.730 20 0 DFADRP C[C@H](CC(=O)Nc1ccc(F)cc1)[NH2+]CCC1CC[NH2+]CC1 ZINC000650763547 431684008 /nfs/dbraw/zinc/68/40/08/431684008.db2.gz DFQMMNSRDQSLDA-CYBMUJFWSA-N 2 0 307.413 2.522 20 0 DFADRP Cc1ccc([C@H](C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)N(C)C)cc1 ZINC000647786321 431684372 /nfs/dbraw/zinc/68/43/72/431684372.db2.gz MTFSVELZJFVABY-OKYOBFRVSA-N 2 0 301.478 2.575 20 0 DFADRP Cn1ccc([C@@H]([NH2+]CCC2CC[NH2+]CC2)c2ccc(F)cc2)n1 ZINC000650763408 431684655 /nfs/dbraw/zinc/68/46/55/431684655.db2.gz ZLJVQOPARUEDFM-SFHVURJKSA-N 2 0 316.424 2.628 20 0 DFADRP c1ccc2c(c1)CCS[C@@H]2C[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000647788250 431684701 /nfs/dbraw/zinc/68/47/01/431684701.db2.gz FRRTXSBYCKZYEI-LISAXSMJSA-N 2 0 302.487 2.995 20 0 DFADRP c1ccc2c(c1)CCS[C@@H]2C[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000647788249 431685181 /nfs/dbraw/zinc/68/51/81/431685181.db2.gz FRRTXSBYCKZYEI-KYHPRHEASA-N 2 0 302.487 2.995 20 0 DFADRP CCN(CCC[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1)c1ccccc1 ZINC000647788069 431685351 /nfs/dbraw/zinc/68/53/51/431685351.db2.gz BVJGSDLMGCCPNM-RCCFBDPRSA-N 2 0 301.478 2.881 20 0 DFADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCC[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)C1 ZINC000647790097 431686593 /nfs/dbraw/zinc/68/65/93/431686593.db2.gz RIGYDTJIAFMZOF-XCDZQEORSA-N 3 0 307.526 2.722 20 0 DFADRP CCCOc1cccc(CC[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)c1 ZINC000647792887 431686665 /nfs/dbraw/zinc/68/66/65/431686665.db2.gz DALLCKYFODLAJZ-RCCFBDPRSA-N 2 0 302.462 2.996 20 0 DFADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCC[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)C1 ZINC000647790096 431687100 /nfs/dbraw/zinc/68/71/00/431687100.db2.gz RIGYDTJIAFMZOF-RHQZKXFESA-N 3 0 307.526 2.722 20 0 DFADRP FC(F)(F)c1csc(CC[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)n1 ZINC000647788730 431687260 /nfs/dbraw/zinc/68/72/60/431687260.db2.gz PNANRMQHTVTTLN-GARJFASQSA-N 2 0 319.396 2.682 20 0 DFADRP Cc1ccc([C@H](C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)N2CCCC2)o1 ZINC000647790065 431687952 /nfs/dbraw/zinc/68/79/52/431687952.db2.gz QQBWSLTWMPDSCU-TVFCKZIOSA-N 2 0 317.477 2.703 20 0 DFADRP COc1ccccc1C1(C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)CC1 ZINC000647788571 431688085 /nfs/dbraw/zinc/68/80/85/431688085.db2.gz MHJPNRLLMRTNCL-OWCLPIDISA-N 2 0 300.446 2.705 20 0 DFADRP FC(F)COc1cccc(C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000647791500 431688096 /nfs/dbraw/zinc/68/80/96/431688096.db2.gz FWUXJCRVQUNQCD-QLFBSQMISA-N 2 0 310.388 2.808 20 0 DFADRP Fc1ccc(N2CC[C@H](C[NH2+][C@@H]3CC[C@@H]4C[NH2+]C[C@@H]4C3)C2)cc1 ZINC000647790257 431688198 /nfs/dbraw/zinc/68/81/98/431688198.db2.gz VDBIOZOLUJOMPH-XLMAVXFVSA-N 2 0 317.452 2.630 20 0 DFADRP Cc1cccc(NC(=O)C[C@@H](C)[NH2+]CCC2CC[NH2+]CC2)c1C ZINC000650764323 431689148 /nfs/dbraw/zinc/68/91/48/431689148.db2.gz WCVYVVCOJNASJC-OAHLLOKOSA-N 2 0 317.477 3.000 20 0 DFADRP COc1ccc(C[C@H](C)C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000647793770 431689343 /nfs/dbraw/zinc/68/93/43/431689343.db2.gz HUWHOIFFKYLEQU-DZOHQFGASA-N 2 0 302.462 2.852 20 0 DFADRP Clc1cc2c(c(C[NH2+][C@@H]3CC[C@H]4C[NH2+]C[C@H]4C3)c1)OCC2 ZINC000647793672 431689378 /nfs/dbraw/zinc/68/93/78/431689378.db2.gz DNYXQEZNRXFGFA-WOSRLPQWSA-N 2 0 306.837 2.753 20 0 DFADRP Fc1ccc(C2(C[NH2+][C@@H]3CC[C@@H]4C[NH2+]C[C@H]4C3)CC2)c(F)c1 ZINC000647794072 431689480 /nfs/dbraw/zinc/68/94/80/431689480.db2.gz QGEZPDAGYMAPPA-UMVBOHGHSA-N 2 0 306.400 2.974 20 0 DFADRP CCOc1ccc2c(c1)[C@H]([NH2+][C@@H]1CC[C@H]3C[NH2+]C[C@H]3C1)CCO2 ZINC000647795060 431689633 /nfs/dbraw/zinc/68/96/33/431689633.db2.gz IQJVGIRONRCNLV-LUXYFRNMSA-N 2 0 316.445 2.887 20 0 DFADRP C[C@H]([NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000647793589 431689658 /nfs/dbraw/zinc/68/96/58/431689658.db2.gz BCAZZKCTDXBIPA-FLXSYLCISA-N 3 0 305.510 2.617 20 0 DFADRP C[C@H]([NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1)[C@H](c1ccccc1)N(C)C ZINC000647795231 431689997 /nfs/dbraw/zinc/68/99/97/431689997.db2.gz LHAJHEJLYDCFTI-AIHBUXEESA-N 2 0 301.478 2.656 20 0 DFADRP CC(C)COC[C@H]([NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1)c1ccco1 ZINC000647793208 431690436 /nfs/dbraw/zinc/69/04/36/431690436.db2.gz PNJIGLKHVLEDKP-HZMVEIRTSA-N 2 0 306.450 2.971 20 0 DFADRP CCOc1ccc([C@H](COC)[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC000647797023 431691833 /nfs/dbraw/zinc/69/18/33/431691833.db2.gz VHOBWJUQGPBYLG-BMFAXAFESA-N 2 0 318.461 2.751 20 0 DFADRP CN(C)C[C@H]([NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1)c1ccc(Cl)cc1 ZINC000647797102 431692435 /nfs/dbraw/zinc/69/24/35/431692435.db2.gz ZARVWKNQHGFDLD-ONIAQPFYSA-N 2 0 321.896 2.920 20 0 DFADRP c1ccc2c(c1)O[C@H](C[NH2+][C@@H]1CC[C@@H]3C[NH2+]C[C@H]3C1)CS2 ZINC000647800570 431692544 /nfs/dbraw/zinc/69/25/44/431692544.db2.gz FNVPEANBNGZNSY-KBUPBQIOSA-N 2 0 304.459 2.517 20 0 DFADRP Cc1cccc2nc(CC[NH2+][C@@H]3C[C@H]([NH3+])c4ccccc43)cn21 ZINC000647804142 431693748 /nfs/dbraw/zinc/69/37/48/431693748.db2.gz JUPGAOCLOMVJSS-ZWKOTPCHSA-N 2 0 306.413 2.920 20 0 DFADRP C[C@@H]1SCC[C@@H]1[NH2+][C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000647804651 431695153 /nfs/dbraw/zinc/69/51/53/431695153.db2.gz WWFUDAHUWLUJIP-FAYQHZLMSA-N 2 0 304.459 2.726 20 0 DFADRP C[C@@H]1SCC[C@@H]1[NH2+][C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000647804657 431695165 /nfs/dbraw/zinc/69/51/65/431695165.db2.gz WWFUDAHUWLUJIP-MKVSYHDVSA-N 2 0 304.459 2.726 20 0 DFADRP Cc1nc(C)c(CC[NH2+]Cc2ccnn2-c2cc[nH+]cc2)s1 ZINC000657355329 431696778 /nfs/dbraw/zinc/69/67/78/431696778.db2.gz IZMOTIPXVHYXLD-UHFFFAOYSA-N 2 0 313.430 2.673 20 0 DFADRP c1c(C[NH2+]CCCCC[NH+]2CCCCC2)nnn1C1CCC1 ZINC000657357520 431700397 /nfs/dbraw/zinc/70/03/97/431700397.db2.gz AJJIFJPKVCPWKZ-UHFFFAOYSA-N 2 0 305.470 2.749 20 0 DFADRP C[C@@H]([NH3+])[C@H]1CN(CCCc2ccc(C(F)(F)F)cc2)CCO1 ZINC000647864450 431710947 /nfs/dbraw/zinc/71/09/47/431710947.db2.gz WMUYYFHMHPNEBE-IUODEOHRSA-N 2 0 316.367 2.686 20 0 DFADRP C[C@H]([NH3+])[C@H]1CN(CCCOc2cccc(C(C)(C)C)c2)CCO1 ZINC000647863609 431710992 /nfs/dbraw/zinc/71/09/92/431710992.db2.gz GFDRQTHORHKCNG-MAUKXSAKSA-N 2 0 320.477 2.801 20 0 DFADRP OCCC1(C[NH2+]Cc2ccnn2-c2cc[nH+]cc2)CCCCC1 ZINC000657392565 431723718 /nfs/dbraw/zinc/72/37/18/431723718.db2.gz ZBXTWVVDLQANOZ-UHFFFAOYSA-N 2 0 314.433 2.690 20 0 DFADRP CCOc1ccc(C[NH2+]CC2(O)CC[NH+](C(C)C)CC2)c(C)c1 ZINC000657397500 431725951 /nfs/dbraw/zinc/72/59/51/431725951.db2.gz WZZIYACHLKEDKH-UHFFFAOYSA-N 2 0 320.477 2.719 20 0 DFADRP Cc1cccc2[nH]c(C[NH2+]CC3(O)CC[NH+](C(C)C)CC3)cc21 ZINC000657396990 431726385 /nfs/dbraw/zinc/72/63/85/431726385.db2.gz IALNNWZQXQMZOP-UHFFFAOYSA-N 2 0 315.461 2.801 20 0 DFADRP CC[C@H]1C[N@H+](CCC(=O)Nc2ccccc2SC)CC[C@@H]1[NH3+] ZINC000647938300 431741396 /nfs/dbraw/zinc/74/13/96/431741396.db2.gz JHRVZKJKPXMLSW-KBPBESRZSA-N 2 0 321.490 2.796 20 0 DFADRP COc1ccc(OCCC[N@@H+]2CC[C@]3(C2)CCC[NH2+]C3)cc1 ZINC000647957106 431750220 /nfs/dbraw/zinc/75/02/20/431750220.db2.gz RCQWEFRZLRNROB-GOSISDBHSA-N 2 0 304.434 2.540 20 0 DFADRP O=C(CC[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1)Nc1ccccc1 ZINC000647976769 431761478 /nfs/dbraw/zinc/76/14/78/431761478.db2.gz TZMZOARAASKXLD-IRXDYDNUSA-N 2 0 315.461 2.727 20 0 DFADRP COc1ccccc1OCC[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647977880 431762016 /nfs/dbraw/zinc/76/20/16/431762016.db2.gz JKHAOGHACCWSSG-DLBZAZTESA-N 2 0 318.461 2.786 20 0 DFADRP Fc1ccccc1OCC[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647975879 431763175 /nfs/dbraw/zinc/76/31/75/431763175.db2.gz HDVWKRKPZAADAZ-CVEARBPZSA-N 2 0 306.425 2.916 20 0 DFADRP CC(C)[C@@H](C)NC(=O)C1CC[NH+](CCCC2CC[NH2+]CC2)CC1 ZINC000647883374 431715309 /nfs/dbraw/zinc/71/53/09/431715309.db2.gz LTJOXHVUOQPMKO-MRXNPFEDSA-N 2 0 323.525 2.639 20 0 DFADRP Cc1ccc(CC[N@@H+](C[C@H]2CCCO2)C[C@H]2CC[NH2+]C2)cc1 ZINC000647889381 431717879 /nfs/dbraw/zinc/71/78/79/431717879.db2.gz LKZNBRFUKFUTNP-RBUKOAKNSA-N 2 0 302.462 2.628 20 0 DFADRP C[NH+](C)C1(CNC(=O)[C@H]([NH3+])c2cccc(Cl)c2)CCCCC1 ZINC000647905952 431723291 /nfs/dbraw/zinc/72/32/91/431723291.db2.gz DIIRQCFXRWNYDY-OAHLLOKOSA-N 2 0 323.868 2.721 20 0 DFADRP Cc1ccc(C[N@H+]2CC[C@@H](Oc3cccnc3N(C)C)C2)nc1 ZINC000664473154 431790042 /nfs/dbraw/zinc/79/00/42/431790042.db2.gz GSGCKZUPCGDSAX-MRXNPFEDSA-N 2 0 312.417 2.504 20 0 DFADRP CC[N@H+](Cc1ccc(C[NH+](C)C)cc1)Cc1cnc2ccnn2c1 ZINC000648035111 431793718 /nfs/dbraw/zinc/79/37/18/431793718.db2.gz RTAMYKHYDAUZGZ-UHFFFAOYSA-N 2 0 323.444 2.813 20 0 DFADRP C[C@H](CCc1cccc(F)c1)[N@@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000648072120 431809490 /nfs/dbraw/zinc/80/94/90/431809490.db2.gz MKDYXQXWUJXWCZ-MRXNPFEDSA-N 2 0 320.452 2.943 20 0 DFADRP Cc1ccccc1C[C@H](C)[NH2+][C@@H](C)CN(C)CCC[NH+](C)C ZINC000657573611 431815015 /nfs/dbraw/zinc/81/50/15/431815015.db2.gz RAICWBKKVOMROF-ROUUACIJSA-N 2 0 305.510 2.788 20 0 DFADRP C[C@@H](CN(C)CCC[NH+](C)C)[NH2+]Cc1ccc(Cl)c(F)c1 ZINC000657573319 431815488 /nfs/dbraw/zinc/81/54/88/431815488.db2.gz JFDCAAILNRYYJM-ZDUSSCGKSA-N 2 0 315.864 2.841 20 0 DFADRP Cn1nc(C(F)(F)F)cc1C[NH2+]CCCCC[NH+]1CCCC1 ZINC000657474438 431772263 /nfs/dbraw/zinc/77/22/63/431772263.db2.gz JIPPIFSGDWTHAG-UHFFFAOYSA-N 2 0 318.387 2.795 20 0 DFADRP O[C@H]1CC[N@H+](Cc2ccc(C[NH2+]Cc3ccsc3)cc2)C1 ZINC000657593705 431820184 /nfs/dbraw/zinc/82/01/84/431820184.db2.gz CBQKIQFLKMYJRF-KRWDZBQOSA-N 2 0 302.443 2.605 20 0 DFADRP Cc1ccc(C[NH2+]Cc2ccc(C[N@@H+]3CC[C@@H](O)C3)cc2)cc1 ZINC000657596743 431820899 /nfs/dbraw/zinc/82/08/99/431820899.db2.gz YJYMOWUHBYGWJB-HXUWFJFHSA-N 2 0 310.441 2.851 20 0 DFADRP Cc1ccc(C[NH+](C)C)cc1NC(=O)C[C@@H]1CCCC[C@H]1[NH3+] ZINC000295043630 280809288 /nfs/dbraw/zinc/80/92/88/280809288.db2.gz FBYGSVBYKFHBKR-JKSUJKDBSA-N 2 0 303.450 2.903 20 0 DFADRP C[N@@H+]1C[C@@H]2CCN(Cc3ccc(C[NH+]4CCCCC4)cc3)[C@@H]2C1 ZINC000664570522 431822078 /nfs/dbraw/zinc/82/20/78/431822078.db2.gz WQNXFAUGHNFYKY-VQTJNVASSA-N 2 0 313.489 2.808 20 0 DFADRP FC1(F)C[C@H]1OCC[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000657618292 431827165 /nfs/dbraw/zinc/82/71/65/431827165.db2.gz FNTJKTGGZZEARF-OAHLLOKOSA-N 2 0 302.409 2.797 20 0 DFADRP Cc1ccc2[nH+]ccc(N3CC[C@@H]([NH+]4CCOCC4)[C@H]3C)c2c1 ZINC000357593589 281170082 /nfs/dbraw/zinc/17/00/82/281170082.db2.gz HPEDEFBJTBJINV-CRAIPNDOSA-N 2 0 311.429 2.843 20 0 DFADRP C[C@H](CCCC[NH3+])NC(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C ZINC000415788716 289138281 /nfs/dbraw/zinc/13/82/81/289138281.db2.gz MPYICVPCZJHBHG-DYVFJYSZSA-N 2 0 318.465 2.875 20 0 DFADRP C[C@H](C(=O)N1CCC[C@H]([NH+]2CCCC2)CC1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000247451377 289277880 /nfs/dbraw/zinc/27/78/80/289277880.db2.gz ZDVVPEJALHRUHY-XDNAFOTISA-N 2 0 321.509 2.725 20 0 DFADRP C[C@H](O)C[NH+]1CCC(C[N@H+](C)[C@@H]2C[C@@H]2c2ccccc2)CC1 ZINC000274520057 290084830 /nfs/dbraw/zinc/08/48/30/290084830.db2.gz NTZLKYGPKLTLAN-KFKAGJAMSA-N 2 0 302.462 2.567 20 0 DFADRP C[N@@H+]1CC[C@H]([NH2+]CCN2CCc3ccccc3C2)[C@H]2CCC[C@H]21 ZINC000367616178 290218492 /nfs/dbraw/zinc/21/84/92/290218492.db2.gz LKJJSPCPCXGCAU-HSALFYBXSA-N 2 0 313.489 2.507 20 0 DFADRP C[N@@H+]1CC[C@H]([NH2+][C@@H]2CCO[C@]3(CCSC3)C2)[C@H]2CCC[C@H]21 ZINC000353628831 290224578 /nfs/dbraw/zinc/22/45/78/290224578.db2.gz CBGYTFFZRSELGP-NQNKBUKLSA-N 2 0 310.507 2.504 20 0 DFADRP Cc1cc(N2CCC([N@@H+](C)C[C@H](C)O)CC2)c2ccccc2[nH+]1 ZINC000436442343 297003780 /nfs/dbraw/zinc/00/37/80/297003780.db2.gz BCCFGWDDHJGSLQ-HNNXBMFYSA-N 2 0 313.445 2.825 20 0 DFADRP CC1CC[NH+](CC(=O)NC[C@@H]2CCC[N@@H+]2C2CCCCC2)CC1 ZINC000437846708 297071968 /nfs/dbraw/zinc/07/19/68/297071968.db2.gz BGVGTHSGTROAOS-SFHVURJKSA-N 2 0 321.509 2.632 20 0 DFADRP COc1ccc(C[C@H](C)[NH2+]CCCC[NH+](C)C)c(C)c1OC ZINC000286344068 295140076 /nfs/dbraw/zinc/14/00/76/295140076.db2.gz YLGAJLWADKQMQX-AWEZNQCLSA-N 2 0 308.466 2.875 20 0 DFADRP COc1cc([C@@H](C)[NH2+]CCN2CCC([NH+](C)C)CC2)ccc1F ZINC000154134523 295292756 /nfs/dbraw/zinc/29/27/56/295292756.db2.gz WRTMRZNNUWSYHG-CQSZACIVSA-N 2 0 323.456 2.511 20 0 DFADRP Cc1cc(C)cc([C@H](C)[NH2+]CCCC[NH+]2CCN(C)CC2)c1 ZINC000154337893 295297566 /nfs/dbraw/zinc/29/75/66/295297566.db2.gz KHTLGJVBLIFUOK-SFHVURJKSA-N 2 0 303.494 2.982 20 0 DFADRP C[C@H]([NH2+]CCCC[NH+]1CCN(C)CC1)C(C)(C)c1ccccc1 ZINC000154344463 295297716 /nfs/dbraw/zinc/29/77/16/295297716.db2.gz MZDXRADRPHDVMQ-SFHVURJKSA-N 2 0 317.521 2.970 20 0 DFADRP CN1CC[NH+](CCCC[NH2+][C@H](Cc2ccccc2)C2CC2)CC1 ZINC000154344351 295297802 /nfs/dbraw/zinc/29/78/02/295297802.db2.gz QZCFFXZYEZTOCB-HXUWFJFHSA-N 2 0 315.505 2.625 20 0 DFADRP Cc1ccc(C[C@@H]([NH2+][C@H](C)CN2CC[NH+](C)CC2)C(C)C)cc1 ZINC000155115352 295312972 /nfs/dbraw/zinc/31/29/72/295312972.db2.gz RUESPPPYQOBLTQ-UYAOXDASSA-N 2 0 317.521 2.788 20 0 DFADRP Cc1cc([C@H](C)[NH2+][C@@H](C)CN2CC[NH+](C)CC2)cc(C)c1F ZINC000155137728 295313484 /nfs/dbraw/zinc/31/34/84/295313484.db2.gz GEWYSABAWQLLLN-HOTGVXAUSA-N 2 0 307.457 2.729 20 0 DFADRP Cc1cc([C@H](C)[NH2+][C@H](C)CN2CC[NH+](C)CC2)cc(C)c1F ZINC000155137938 295313553 /nfs/dbraw/zinc/31/35/53/295313553.db2.gz GEWYSABAWQLLLN-CVEARBPZSA-N 2 0 307.457 2.729 20 0 DFADRP CC[C@H](C)[C@@H](C)[NH2+]Cc1cccc(OCCN2CCOCC2)c1 ZINC000155152954 295313962 /nfs/dbraw/zinc/31/39/62/295313962.db2.gz MNFVNKGSFRUALP-DLBZAZTESA-N 2 0 320.477 2.922 20 0 DFADRP CC[NH+]1CCN([C@H](C)C[NH2+][C@H](C)c2cc(C)ccc2C)CC1 ZINC000155608479 295321904 /nfs/dbraw/zinc/32/19/04/295321904.db2.gz ZYJXYVJDVUTROL-QZTJIDSGSA-N 2 0 303.494 2.980 20 0 DFADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]CCCc1nc2ccccc2[nH]1 ZINC000156170734 295331870 /nfs/dbraw/zinc/33/18/70/295331870.db2.gz VGROUPGWICCSRB-CKEIUWERSA-N 3 0 300.450 2.814 20 0 DFADRP C[C@H]([NH2+]C[C@H]1CCC[N@H+](C)C1)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000158129128 295358717 /nfs/dbraw/zinc/35/87/17/295358717.db2.gz UNGWTGMXTXNCBG-UONOGXRCSA-N 2 0 315.461 2.909 20 0 DFADRP COc1ccc([C@H](C)[NH2+]C[C@@H]2CCC[N@H+](C)C2)cc1NC(C)=O ZINC000158217288 295360418 /nfs/dbraw/zinc/36/04/18/295360418.db2.gz SLPIWHPDRJSDDO-ZFWWWQNUSA-N 2 0 319.449 2.646 20 0 DFADRP CCC[C@H]([NH2+]CCCCN1CC[NH+](CC)CC1)c1ccccn1 ZINC000158626593 295365137 /nfs/dbraw/zinc/36/51/37/295365137.db2.gz ZTWRDQVYTVVTNB-SFHVURJKSA-N 2 0 318.509 2.930 20 0 DFADRP CC1CC[NH+](C[C@H](O)C[NH2+][C@@H](Cc2ccccc2)C2CC2)CC1 ZINC000158870255 295368582 /nfs/dbraw/zinc/36/85/82/295368582.db2.gz FLDDTERQEBBVLI-UXHICEINSA-N 2 0 316.489 2.690 20 0 DFADRP C[C@@H](CC[NH+](C)C)[NH2+]C[C@]1(C)CCN(C(=O)OC(C)(C)C)C1 ZINC000495459182 299929301 /nfs/dbraw/zinc/92/93/01/299929301.db2.gz PULQVCPCEYPYNT-YOEHRIQHSA-N 2 0 313.486 2.563 20 0 DFADRP C[C@@H](CC[NH+](C)C)[NH2+]C1CCN(Cc2cccc(F)c2)CC1 ZINC000363782607 295443922 /nfs/dbraw/zinc/44/39/22/295443922.db2.gz KRUZXQGBVRWSFM-HNNXBMFYSA-N 2 0 307.457 2.720 20 0 DFADRP CC[C@@H](C)[C@@H]([NH3+])C(=O)NC1CC[NH+](C2CCC(C)CC2)CC1 ZINC000370763278 295462677 /nfs/dbraw/zinc/46/26/77/295462677.db2.gz HXKDXLMAYQBLQD-VVBDHPJYSA-N 2 0 309.498 2.519 20 0 DFADRP C[C@@H]1CC[C@@H]([NH2+]CCCC[NH+](C)C)CN1C(=O)OC(C)(C)C ZINC000399015539 295494319 /nfs/dbraw/zinc/49/43/19/295494319.db2.gz DDQCNSWIXUDBLN-HUUCEWRRSA-N 2 0 313.486 2.706 20 0 DFADRP CC[NH+](CC)Cc1ccc(CNC(=O)[C@H](C(C)C)[C@H](C)[NH3+])cc1 ZINC000399384909 295495799 /nfs/dbraw/zinc/49/57/99/295495799.db2.gz PONKZIGCQYCYMC-MAUKXSAKSA-N 2 0 319.493 2.764 20 0 DFADRP CC(C)(C)[C@@H]([NH2+]Cc1cccc(C[NH+]2CCCCC2)c1)C(N)=O ZINC000411370958 295536030 /nfs/dbraw/zinc/53/60/30/295536030.db2.gz WDQYIONGGZIVGB-KRWDZBQOSA-N 2 0 317.477 2.662 20 0 DFADRP CSC1(C[NH2+][C@@H]2[C@H]3CCO[C@H]3C23CCCC3)CC[NH+](C)CC1 ZINC000353622211 295583003 /nfs/dbraw/zinc/58/30/03/295583003.db2.gz MCVAIXMDJMEXMM-BZUAXINKSA-N 2 0 324.534 2.751 20 0 DFADRP CC(C)(C)[NH+]1CCC(NC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC000440112995 297144612 /nfs/dbraw/zinc/14/46/12/297144612.db2.gz YRJBGXBYDZTYCX-QGZVFWFLSA-N 2 0 321.509 2.773 20 0 DFADRP C[C@@H]1CCCC[C@@H]1OCC[N@@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@@H]21 ZINC000441245799 297176837 /nfs/dbraw/zinc/17/68/37/297176837.db2.gz NJSDVYRQIFPUMW-HVMFNXBNSA-N 2 0 324.509 2.765 20 0 DFADRP CC[C@H](C[NH2+]CCN1CC[N@H+](C)C(C)(C)C1)c1ccccc1 ZINC000441347283 297180722 /nfs/dbraw/zinc/18/07/22/297180722.db2.gz AANWXSXUECQIFR-QGZVFWFLSA-N 2 0 303.494 2.796 20 0 DFADRP CC[C@H](C)NC(=O)[C@@H]1C[C@H](C)[N@H+](C[C@H](C)[NH3+])[C@H]2CCCC[C@H]12 ZINC000442664208 297199752 /nfs/dbraw/zinc/19/97/52/297199752.db2.gz LSTWOYKMMMBGOR-ROIMOXLHSA-N 2 0 309.498 2.518 20 0 DFADRP C[C@H]1C[C@@H](C[NH3+])C[N@@H+]1CCc1nc(-c2ccc(Cl)cc2)no1 ZINC000442788783 297206341 /nfs/dbraw/zinc/20/63/41/297206341.db2.gz IZMODPCAWJAIDH-RYUDHWBXSA-N 2 0 320.824 2.602 20 0 DFADRP CC[N@@H+]1CC[C@@H](N(C)Cc2cc(C(F)(F)F)n[nH]2)C[C@H]1C ZINC000442886844 297209486 /nfs/dbraw/zinc/20/94/86/297209486.db2.gz UURYXDUCVVHQRL-ZYHUDNBSSA-N 2 0 304.360 2.733 20 0 DFADRP CC(C)n1ncc2cc(C[N@@H+]3CCC[C@@H](CC[NH3+])C3)cnc21 ZINC000442920133 297211104 /nfs/dbraw/zinc/21/11/04/297211104.db2.gz GLVRAVFPTZWLJL-AWEZNQCLSA-N 2 0 301.438 2.573 20 0 DFADRP Cc1ccc(NC(=O)[C@H](C)[N@@H+]2CCC[C@@H](CC[NH3+])C2)c(F)c1 ZINC000443056109 297213512 /nfs/dbraw/zinc/21/35/12/297213512.db2.gz CBAOEPJWHBOYRS-KBPBESRZSA-N 2 0 307.413 2.522 20 0 DFADRP Cc1ccc(NC(=O)[C@@H](C)[N@@H+]2CCC[C@@H](CC[NH3+])C2)c(F)c1 ZINC000443056112 297213523 /nfs/dbraw/zinc/21/35/23/297213523.db2.gz CBAOEPJWHBOYRS-KGLIPLIRSA-N 2 0 307.413 2.522 20 0 DFADRP C[C@H](C(=O)Nc1cccc(Cl)c1)[N@@H+]1CCC[C@H](CC[NH3+])C1 ZINC000443057629 297213802 /nfs/dbraw/zinc/21/38/02/297213802.db2.gz HLAYBSNISUZPRH-CHWSQXEVSA-N 2 0 309.841 2.728 20 0 DFADRP CSc1ccc(NC(=O)[C@H](C)[N@@H+]2CCC[C@H](CC[NH3+])C2)cc1 ZINC000443057649 297213973 /nfs/dbraw/zinc/21/39/73/297213973.db2.gz HNWRXCXWDZDKHT-UONOGXRCSA-N 2 0 321.490 2.796 20 0 DFADRP Cc1ccccc1[C@H](C)NC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000443059888 297214085 /nfs/dbraw/zinc/21/40/85/297214085.db2.gz NSKOZGIEXGMHPF-BBWFWOEESA-N 2 0 317.477 2.622 20 0 DFADRP CC1(C)CCC[N@H+](CCNC(=O)[C@H]2CCC[NH+]2C2CCCC2)C1 ZINC000444626625 297242253 /nfs/dbraw/zinc/24/22/53/297242253.db2.gz AFJXMALODLUMDF-QGZVFWFLSA-N 2 0 321.509 2.632 20 0 DFADRP CC(C)[NH+]1CCC(NC(=O)C[N@@H+]2CCCC3(CCCC3)C2)CC1 ZINC000445849575 297269374 /nfs/dbraw/zinc/26/93/74/297269374.db2.gz MFEXELCIRPFJNK-UHFFFAOYSA-N 2 0 321.509 2.632 20 0 DFADRP CCOC(=O)[C@@H]1CC[C@H]([NH2+]CC2CC[NH+](C3CC3)CC2)C[C@H]1C ZINC000446891191 297289459 /nfs/dbraw/zinc/28/94/59/297289459.db2.gz VIGZOGZJMVRQOO-UWWQBHOKSA-N 2 0 322.493 2.818 20 0 DFADRP C[NH+](CC(O)C[N@@H+](C)C[C@@H]1CC=CCC1)C[C@@H]1CC=CCC1 ZINC000447302071 297300040 /nfs/dbraw/zinc/30/00/40/297300040.db2.gz OHPXUUDSOFCCOO-QZTJIDSGSA-N 2 0 306.494 2.924 20 0 DFADRP CC[N@H+](Cc1ccc(C(=O)N[C@H]2CC[NH2+][C@@H](C)C2)cc1)C1CC1 ZINC000447506629 297305740 /nfs/dbraw/zinc/30/57/40/297305740.db2.gz DHGUVYKZAYXGLV-YOEHRIQHSA-N 2 0 315.461 2.541 20 0 DFADRP CC[NH+]1CCN(c2ccc(C[NH2+]C3CC4(CCC4)C3)cn2)CC1 ZINC000448058698 297331310 /nfs/dbraw/zinc/33/13/10/297331310.db2.gz RFKBVZXZKLHHPX-UHFFFAOYSA-N 2 0 314.477 2.646 20 0 DFADRP CCn1nnc(C)c1C[NH+]1CCC(CCC[NH+]2CCCC2)CC1 ZINC000449036868 297395229 /nfs/dbraw/zinc/39/52/29/297395229.db2.gz LGWWFMWDAJDILX-UHFFFAOYSA-N 2 0 319.497 2.694 20 0 DFADRP Cc1cccc(CC[N@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@H]32)c1 ZINC000449048572 297397672 /nfs/dbraw/zinc/39/76/72/297397672.db2.gz PWAKVBHXAMCJOC-IPMKNSEASA-N 2 0 302.462 2.721 20 0 DFADRP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+]CCn2ccnc2)CC1 ZINC000449062784 297398918 /nfs/dbraw/zinc/39/89/18/297398918.db2.gz MUFGEYZDOVOIKS-QGZVFWFLSA-N 3 0 312.461 2.568 20 0 DFADRP C[C@@H](Cc1ccccc1)[NH+]1CCC([NH2+]CCn2ccnc2)CC1 ZINC000449062783 297399057 /nfs/dbraw/zinc/39/90/57/297399057.db2.gz MUFGEYZDOVOIKS-KRWDZBQOSA-N 3 0 312.461 2.568 20 0 DFADRP C[C@@H](CCN1CC[NH+](C)CC1)[NH2+]Cc1cccc2ccoc21 ZINC000449252762 297429778 /nfs/dbraw/zinc/42/97/78/297429778.db2.gz WHHQGYJGYQHWCD-HNNXBMFYSA-N 2 0 301.434 2.548 20 0 DFADRP CC(C)(C)CC(C)(C)[NH+]1CCC([NH2+]C[C@@H]2CCCC(=O)N2)CC1 ZINC000449291057 297437579 /nfs/dbraw/zinc/43/75/79/297437579.db2.gz ISYOKAAYEQVJCR-INIZCTEOSA-N 2 0 323.525 2.924 20 0 DFADRP CSC1(C[NH2+]Cc2cc3cccnc3o2)CC[NH+](C)CC1 ZINC000449338526 297448786 /nfs/dbraw/zinc/44/87/86/297448786.db2.gz SEZSXNIHLFJFPL-UHFFFAOYSA-N 2 0 305.447 2.745 20 0 DFADRP CC1CCC([NH+]2CCN(C(=O)C[C@H]3CCCC[C@@H]3[NH3+])CC2)CC1 ZINC000449350780 297451922 /nfs/dbraw/zinc/45/19/22/297451922.db2.gz NIUHWJZTCNLOAD-FPQWYMTMSA-N 2 0 321.509 2.617 20 0 DFADRP CC[NH+]1CCN(CC(C)(C)[NH2+]C/C=C/c2ccccc2)CC1 ZINC000449747195 297525486 /nfs/dbraw/zinc/52/54/86/297525486.db2.gz VXEWFMLCUMAOEW-DHZHZOJOSA-N 2 0 301.478 2.706 20 0 DFADRP CC[NH+]1CCN(CC(C)(C)[NH2+]C[C@@H](C)Cc2ccccc2)CC1 ZINC000449747180 297525595 /nfs/dbraw/zinc/52/55/95/297525595.db2.gz VRSUBDHVPUEENW-SFHVURJKSA-N 2 0 317.521 2.871 20 0 DFADRP CC[NH+]1CCN(CC(C)(C)[NH2+]C[C@@H]2C(C)=CCC[C@H]2C)CC1 ZINC000449747493 297526046 /nfs/dbraw/zinc/52/60/46/297526046.db2.gz XGMOJRVAPRWMFV-QZTJIDSGSA-N 2 0 307.526 2.985 20 0 DFADRP CC(C)[NH+]1CCN(C2CC[NH+](CC3CC(F)(F)C3)CC2)CC1 ZINC000450636517 297659919 /nfs/dbraw/zinc/65/99/19/297659919.db2.gz NCMICABMGHPOTD-UHFFFAOYSA-N 2 0 315.452 2.522 20 0 DFADRP CC[C@@H](CO)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H]2CCC[C@H]21 ZINC000453198340 298070797 /nfs/dbraw/zinc/07/07/97/298070797.db2.gz NYFIBCWOHZIYLZ-OKYOBFRVSA-N 2 0 302.462 2.790 20 0 DFADRP CC[C@H]([NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)[C@@H](C)O ZINC000453334793 298084420 /nfs/dbraw/zinc/08/44/20/298084420.db2.gz JVQXCXCFCAMZFR-FTWQHDNSSA-N 2 0 302.462 2.931 20 0 DFADRP C[C@H]([NH2+][C@@H]1COCC1(C)C)c1cccc(OCC[NH+](C)C)c1 ZINC000453358121 298086560 /nfs/dbraw/zinc/08/65/60/298086560.db2.gz JUSYSXCDNDFUGH-WMLDXEAASA-N 2 0 306.450 2.703 20 0 DFADRP CCOC(=O)[C@@H]1CC[C@H]([NH2+]CCCC[N@H+](C)C2CC2)C[C@@H]1C ZINC000453411662 298091849 /nfs/dbraw/zinc/09/18/49/298091849.db2.gz VWRAHJDPVKHOKD-YQQAZPJKSA-N 2 0 310.482 2.818 20 0 DFADRP Cc1cc(C)c(CNC(=O)N[C@@H]2CC[N@@H+](C3CCCC3)C2)cn1 ZINC000454539064 298192125 /nfs/dbraw/zinc/19/21/25/298192125.db2.gz ISLMUPWWCANUSN-MRXNPFEDSA-N 2 0 316.449 2.515 20 0 DFADRP CS[C@H]1CN(C(=O)Nc2c(C)cc(C)nc2C)C[C@H]1[NH+](C)C ZINC000455475702 298366337 /nfs/dbraw/zinc/36/63/37/298366337.db2.gz DRFBTYAGWKTFSS-KGLIPLIRSA-N 2 0 322.478 2.516 20 0 DFADRP C[NH+](C)[C@@H]1CCc2cc(NC(=O)C3CC[NH+](C)CC3)ccc21 ZINC000456261704 298483336 /nfs/dbraw/zinc/48/33/36/298483336.db2.gz GDIHWIAMQOIHAO-QGZVFWFLSA-N 2 0 301.434 2.516 20 0 DFADRP C[NH+]1CCC(C(=O)N2CC[NH+](C(C)(C)CC(C)(C)C)CC2)CC1 ZINC000456684045 298569387 /nfs/dbraw/zinc/56/93/87/298569387.db2.gz BVRVCZQOPJGJOF-UHFFFAOYSA-N 2 0 323.525 2.687 20 0 DFADRP C[C@H]([NH3+])CCC(=O)NC[C@@H](c1ccccc1)[NH+]1CCC(C)CC1 ZINC000193302893 298953456 /nfs/dbraw/zinc/95/34/56/298953456.db2.gz LKEUCXBUTCSDFD-WMZOPIPTSA-N 2 0 317.477 2.703 20 0 DFADRP C[C@@H]1CN(C)C[C@@H]1[NH2+]CC[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000513506385 300257843 /nfs/dbraw/zinc/25/78/43/300257843.db2.gz PWRVYAWLKZOXPY-LFGUQSLTSA-N 2 0 315.505 2.827 20 0 DFADRP C[C@H]1C[C@@H](CC[NH2+]Cc2ccnn2C)C[N@@H+]1Cc1ccccc1 ZINC000513493590 300257897 /nfs/dbraw/zinc/25/78/97/300257897.db2.gz BNXFQEUTLLGBTN-FUHWJXTLSA-N 2 0 312.461 2.810 20 0 DFADRP CCC[N@@H+]1CC[C@H](C[NH2+]CCC(=O)Nc2ccc(Cl)cc2)C1 ZINC000514855820 300275455 /nfs/dbraw/zinc/27/54/55/300275455.db2.gz CHTOGIPJWNTRMP-CQSZACIVSA-N 2 0 323.868 2.990 20 0 DFADRP Cc1ccncc1CCC[NH2+][C@H]1CCN(CC(F)(F)F)C1 ZINC000514891303 300278089 /nfs/dbraw/zinc/27/80/89/300278089.db2.gz RUJCNWSNDOWKHA-AWEZNQCLSA-N 2 0 301.356 2.549 20 0 DFADRP COc1cccc(N2CCC[C@H]([NH2+][C@H](C)[C@@H]3CCC[NH2+]C3)C2)c1 ZINC000514930476 300279676 /nfs/dbraw/zinc/27/96/76/300279676.db2.gz IIKSZSYBDCDBER-ZACQAIPSSA-N 2 0 317.477 2.642 20 0 DFADRP c1nc([C@@H]2CCCO2)sc1CN1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000515845839 300322756 /nfs/dbraw/zinc/32/27/56/300322756.db2.gz UVLWPGMKOVABMA-HOCLYGCPSA-N 2 0 307.463 2.570 20 0 DFADRP C[C@H](C[NH2+]C[C@@H](O)Cc1cccc(Cl)c1)C[NH+]1CCCC1 ZINC000516048455 300327424 /nfs/dbraw/zinc/32/74/24/300327424.db2.gz HGGBZWYKTYGQJK-PBHICJAKSA-N 2 0 310.869 2.565 20 0 DFADRP C[C@H]([NH3+])[C@@H]1COCC[C@H]1[NH2+]Cc1cccc(-c2cccnc2)c1 ZINC000516173919 300332709 /nfs/dbraw/zinc/33/27/09/300332709.db2.gz MUSKRZDQPKWMMW-ZOCIIQOWSA-N 2 0 311.429 2.591 20 0 DFADRP CC[N@@H+]1CC[C@H](N[C@@H]2CC[NH+](Cc3ccccc3)C3(CC3)C2)C1 ZINC000516769166 300359505 /nfs/dbraw/zinc/35/95/05/300359505.db2.gz SPQSPVBMUOUCCZ-MOPGFXCFSA-N 2 0 313.489 2.867 20 0 DFADRP CCC[NH+]1CCC(C[NH2+]C[C@H](O)[C@@H](C)c2ccccc2)CC1 ZINC000516922884 300369310 /nfs/dbraw/zinc/36/93/10/300369310.db2.gz UJKNEVSXOYJNHU-LPHOPBHVSA-N 2 0 304.478 2.863 20 0 DFADRP C[C@@H](CCCO)[NH2+][C@H]1CCN(Cc2ccccc2)C2(CC2)C1 ZINC000516969588 300374122 /nfs/dbraw/zinc/37/41/22/300374122.db2.gz BFZFOPAAZDDJTK-WMZOPIPTSA-N 2 0 302.462 2.934 20 0 DFADRP CCC[N@H+](C)CC(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC000517372998 300394182 /nfs/dbraw/zinc/39/41/82/300394182.db2.gz JKASPGPBODKKAN-UHFFFAOYSA-N 2 0 317.477 2.995 20 0 DFADRP COc1ccc(C[NH2+]CC2(SC)CC[NH+](C)CC2)c(F)c1 ZINC000517574765 300400281 /nfs/dbraw/zinc/40/02/81/300400281.db2.gz IACOJTMYOBBCRR-UHFFFAOYSA-N 2 0 312.454 2.751 20 0 DFADRP C[C@H]([NH2+]Cc1cccc(NC(=O)C2CCC2)c1)[C@@H]1CC[NH2+]C1 ZINC000518727317 300430280 /nfs/dbraw/zinc/43/02/80/300430280.db2.gz LUIZRKYQJLRDDW-XJKSGUPXSA-N 2 0 301.434 2.513 20 0 DFADRP [NH3+][C@H](CCC(=O)Nc1cccc2c1CC[NH2+]C2)c1ccccc1 ZINC000519691604 300470259 /nfs/dbraw/zinc/47/02/59/300470259.db2.gz ZOSJYZOEBKCCKV-QGZVFWFLSA-N 2 0 309.413 2.751 20 0 DFADRP CC[NH+](CC)[C@H](CNC(=O)C[C@@H]1CCC[NH2+]C1)c1ccsc1 ZINC000520838224 300511457 /nfs/dbraw/zinc/51/14/57/300511457.db2.gz UKAXJUPJAPQURV-GOEBONIOSA-N 2 0 323.506 2.637 20 0 DFADRP C[NH+](C)CCC1CC[NH+]([C@H]2CCN(C3CCCCC3)C2=O)CC1 ZINC000528350785 300774160 /nfs/dbraw/zinc/77/41/60/300774160.db2.gz FLFINFRCSKUSRD-SFHVURJKSA-N 2 0 321.509 2.584 20 0 DFADRP O=C(NC[C@@H]1CC[N@@H+]1C1CCCC1)[C@H]1CCC[NH+]1C1CCCC1 ZINC000530024877 301005711 /nfs/dbraw/zinc/00/57/11/301005711.db2.gz YBBUOLKQMGCWRY-ZWKOTPCHSA-N 2 0 319.493 2.527 20 0 DFADRP CO[C@@H](Cc1ccc(F)cc1)C[N@H+](C1CC1)C1CC[NH2+]CC1 ZINC000530206642 301029023 /nfs/dbraw/zinc/02/90/23/301029023.db2.gz MDMPNHICQNKUFG-SFHVURJKSA-N 2 0 306.425 2.600 20 0 DFADRP CO[C@H](C[NH+]1CCC([C@@H]2CC[NH2+]C2)CC1)c1ccc(F)cc1 ZINC000530218382 301030428 /nfs/dbraw/zinc/03/04/28/301030428.db2.gz FSUCFHGFFXTSDK-SJLPKXTDSA-N 2 0 306.425 2.835 20 0 DFADRP Cc1cc(C[NH+]2CCC(CO[C@@H]3CC[NH2+]C3)CC2)ccc1F ZINC000530248645 301033854 /nfs/dbraw/zinc/03/38/54/301033854.db2.gz NOWWSBPROOWLNK-QGZVFWFLSA-N 2 0 306.425 2.725 20 0 DFADRP COc1ccnc(C[NH+]2CCC(C[N@H+](C)C(C)C)CC2)c1OC ZINC000530390583 301044478 /nfs/dbraw/zinc/04/44/78/301044478.db2.gz BSZGDBKVBSULQK-UHFFFAOYSA-N 2 0 321.465 2.651 20 0 DFADRP C[C@H]([NH2+]CCC1CC[NH+](C)CC1)c1ccc2c(c1)CCC(=O)N2 ZINC000531958019 301120966 /nfs/dbraw/zinc/12/09/66/301120966.db2.gz PGYZDSLRPKUKTN-AWEZNQCLSA-N 2 0 315.461 2.954 20 0 DFADRP C[NH+]1CCN(CCC[NH2+][C@H](CC2CC2)c2ccccc2)CC1 ZINC000532200882 301136382 /nfs/dbraw/zinc/13/63/82/301136382.db2.gz PYYMKGCSTQRRDF-LJQANCHMSA-N 2 0 301.478 2.755 20 0 DFADRP CC[C@@H]([NH2+]Cc1ccccc1OCC[NH+](C)C)C1CCOCC1 ZINC000532205594 301136559 /nfs/dbraw/zinc/13/65/59/301136559.db2.gz PUDPDJWAPHSLCO-GOSISDBHSA-N 2 0 320.477 2.922 20 0 DFADRP CCN1CCC[C@H]([NH2+][C@@H](C)c2ccc3c(c2)CCC(=O)N3)C1 ZINC000532212365 301136827 /nfs/dbraw/zinc/13/68/27/301136827.db2.gz DFLZQRDDSHHXCT-BBRMVZONSA-N 2 0 301.434 2.706 20 0 DFADRP CCN1CCC[C@@H]([NH2+][C@@H](C)c2ccc3c(c2)CCC(=O)N3)C1 ZINC000532212369 301137050 /nfs/dbraw/zinc/13/70/50/301137050.db2.gz DFLZQRDDSHHXCT-XJKSGUPXSA-N 2 0 301.434 2.706 20 0 DFADRP CCN1CCC[C@H]([NH2+][C@H](C)c2ccc3c(c2)CCC(=O)N3)C1 ZINC000532212366 301137135 /nfs/dbraw/zinc/13/71/35/301137135.db2.gz DFLZQRDDSHHXCT-CJNGLKHVSA-N 2 0 301.434 2.706 20 0 DFADRP C[C@@H]1CCCN(CC[NH2+]C2CCC(O)(C(F)(F)F)CC2)C1 ZINC000532447649 301153206 /nfs/dbraw/zinc/15/32/06/301153206.db2.gz PZCXFJXWEYLNAE-IYXRBSQSSA-N 2 0 308.388 2.544 20 0 DFADRP C[C@H]([NH2+]C[C@@H]1CCC[N@H+](C)C1)c1cccc(N2CCOCC2)c1 ZINC000532506873 301157142 /nfs/dbraw/zinc/15/71/42/301157142.db2.gz XPILRHKBRGNMRD-IRXDYDNUSA-N 2 0 317.477 2.516 20 0 DFADRP C[NH+](C)[C@H]1CCC[C@@H]([NH2+]C2CCC(O)(C(F)(F)F)CC2)C1 ZINC000532549629 301159705 /nfs/dbraw/zinc/15/97/05/301159705.db2.gz FURGPYFEGMCBCW-DKNRTOFZSA-N 2 0 308.388 2.685 20 0 DFADRP C[C@H](c1nc2ccccc2c(=O)[nH]1)N1CC[C@@H](c2nccn2C)C1 ZINC000533864770 301214879 /nfs/dbraw/zinc/21/48/79/301214879.db2.gz BJOUPROVMXZCER-CHWSQXEVSA-N 2 0 323.400 2.619 20 0 DFADRP CCc1ccc(C[NH+]2CCC(C[NH+]3CCOCC3)CC2)s1 ZINC000534332164 301228710 /nfs/dbraw/zinc/22/87/10/301228710.db2.gz WAHZFHAUKJXMLZ-UHFFFAOYSA-N 2 0 308.491 2.855 20 0 DFADRP C[C@H](C[NH2+][C@@H]1CCCc2ccc(Cl)cc21)N1CC[NH+](C)CC1 ZINC000534970637 301240410 /nfs/dbraw/zinc/24/04/10/301240410.db2.gz ATSUDVGTKVOPEP-RDTXWAMCSA-N 2 0 321.896 2.943 20 0 DFADRP CC1(C)CCC[C@@H](C[NH+]2CCN(CC[NH+]3CCCC3)CC2)C1 ZINC000535070023 301247489 /nfs/dbraw/zinc/24/74/89/301247489.db2.gz MGEHFUPPKQXVRA-GOSISDBHSA-N 2 0 307.526 2.916 20 0 DFADRP CC(C)N1C[C@H]([NH2+]C2CCC(O)(C(F)(F)F)CC2)[C@@H](C)C1 ZINC000536847808 301291570 /nfs/dbraw/zinc/29/15/70/301291570.db2.gz VXVXSBUWWMHOBR-AHPWVWPOSA-N 2 0 308.388 2.541 20 0 DFADRP C[C@@H]1CCCC[N@@H+]1CCC1CC[NH+]([C@H]2CCCN(C)C2=O)CC1 ZINC000537607183 301305862 /nfs/dbraw/zinc/30/58/62/301305862.db2.gz SBTPGXKQEBACME-AEFFLSMTSA-N 2 0 321.509 2.584 20 0 DFADRP O[C@H]1CCC[C@@H]1[NH+]1CCC([NH2+]C2C3CC4CC(C3)CC2C4)CC1 ZINC000539059813 301337293 /nfs/dbraw/zinc/33/72/93/301337293.db2.gz ZNMYVIKELUBYJQ-KFRFNOKNSA-N 2 0 318.505 2.779 20 0 DFADRP CC[N@H+](CCC1CC[NH+](CC(=O)NCC2CC2)CC1)CC(C)C ZINC000539098504 301337970 /nfs/dbraw/zinc/33/79/70/301337970.db2.gz RFBFZQCFISILQN-UHFFFAOYSA-N 2 0 323.525 2.593 20 0 DFADRP Cc1cccc(NC(=O)C[C@@H](C)[NH2+]CC2=CC[N@H+](C)CC2)c1 ZINC000540605000 301365804 /nfs/dbraw/zinc/36/58/04/301365804.db2.gz CJQJCQCEAQEUMC-OAHLLOKOSA-N 2 0 301.434 2.564 20 0 DFADRP Cc1ccc(C[C@H]([NH2+]CCCN2CC[NH+](C)CC2)C2CC2)cc1 ZINC000162596155 301594122 /nfs/dbraw/zinc/59/41/22/301594122.db2.gz BUEGMBVZPQJDHN-FQEVSTJZSA-N 2 0 315.505 2.543 20 0 DFADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)[C@@H]1CCC[C@H]2CCCC[C@H]21 ZINC000552005047 301675338 /nfs/dbraw/zinc/67/53/38/301675338.db2.gz JJPPBSKCORGQNB-KZNAEPCWSA-N 2 0 323.525 2.545 20 0 DFADRP C[C@H]([NH3+])[C@H]1COCC[C@H]1[NH2+]Cc1ccc(-c2cccnc2)cc1 ZINC000562958941 302017944 /nfs/dbraw/zinc/01/79/44/302017944.db2.gz YOTPTIUQDUFDMB-GDIGMMSISA-N 2 0 311.429 2.591 20 0 DFADRP C[C@H](CCN[C@@H](C)[C@H]1CCC[NH2+]C1)[N@H+](C)Cc1ccccc1 ZINC000562958368 302018332 /nfs/dbraw/zinc/01/83/32/302018332.db2.gz CLPGEAWWINBIDX-AOIWGVFYSA-N 3 0 303.494 2.875 20 0 DFADRP C[C@H](CC(=O)Nc1ccc(F)cc1)[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000562962364 302018552 /nfs/dbraw/zinc/01/85/52/302018552.db2.gz KQJAQUYLQGMWPV-UMPJEAMMSA-N 2 0 319.424 2.521 20 0 DFADRP CC(=O)N1CC[C@H]([NH2+][C@@H]2CCCC[C@H]2C[NH3+])c2ccccc21 ZINC000562960386 302018601 /nfs/dbraw/zinc/01/86/01/302018601.db2.gz OALLJGZKZPLFTK-UAGQMJEPSA-N 2 0 301.434 2.591 20 0 DFADRP C[C@H](CC(=O)Nc1ccc(F)cc1)[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000562962367 302018726 /nfs/dbraw/zinc/01/87/26/302018726.db2.gz KQJAQUYLQGMWPV-XJIUQZFPSA-N 2 0 319.424 2.521 20 0 DFADRP [NH3+]C[C@H]1CC[C@H](C[NH2+][C@H]2CCC(=O)Nc3ccccc32)CC1 ZINC000562962318 302018921 /nfs/dbraw/zinc/01/89/21/302018921.db2.gz VRGQXALWMJQSIQ-DZKIICNBSA-N 2 0 301.434 2.815 20 0 DFADRP [NH3+][C@@H]1CCC[C@@H]([NH2+][C@@H]2CCCN(c3ccccc3Cl)C2=O)C1 ZINC000563423731 302071154 /nfs/dbraw/zinc/07/11/54/302071154.db2.gz IWTIPSSLBFVCJP-UMVBOHGHSA-N 2 0 321.852 2.695 20 0 DFADRP [NH3+][C@H]1CCC[C@@H]([NH2+]Cc2ccc(N3CCCCCC3)nc2)C1 ZINC000563427312 302071558 /nfs/dbraw/zinc/07/15/58/302071558.db2.gz XODIDMQGVHWFII-DLBZAZTESA-N 2 0 302.466 2.822 20 0 DFADRP CC(C)[NH2+]CC(=O)Nc1cccc(CC[NH+]2CCC(C)CC2)c1 ZINC000563450260 302074613 /nfs/dbraw/zinc/07/46/13/302074613.db2.gz BZEORANDWXOSMU-UHFFFAOYSA-N 2 0 317.477 2.898 20 0 DFADRP CC[NH+]1CCC(CC[NH2+]CCC(=O)Nc2ccccc2)CC1 ZINC000563806513 302099839 /nfs/dbraw/zinc/09/98/39/302099839.db2.gz YWXNXAAWYOIUBL-UHFFFAOYSA-N 2 0 303.450 2.727 20 0 DFADRP Cc1ccc(OC[C@@H](O)C[NH2+]CC[C@H](C)[NH+]2CCCCC2)cc1 ZINC000564077814 302117163 /nfs/dbraw/zinc/11/71/63/302117163.db2.gz WEWSYXODXGAVCB-ROUUACIJSA-N 2 0 320.477 2.589 20 0 DFADRP CC1(C)C[NH2+]CC[C@@H]1NC(=O)CC[C@@H]([NH3+])CC1CCCCC1 ZINC000564441449 302134795 /nfs/dbraw/zinc/13/47/95/302134795.db2.gz GPKNGXDDSXLTCI-CVEARBPZSA-N 2 0 309.498 2.569 20 0 DFADRP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(Cc2ncccc2O)C1 ZINC000564612426 302144209 /nfs/dbraw/zinc/14/42/09/302144209.db2.gz PXTJBOXVZRMXAQ-HZPDHXFCSA-N 2 0 303.450 2.874 20 0 DFADRP C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(Cc2ncccc2O)C1 ZINC000564612427 302144606 /nfs/dbraw/zinc/14/46/06/302144606.db2.gz PXTJBOXVZRMXAQ-JKSUJKDBSA-N 2 0 303.450 2.874 20 0 DFADRP COc1ccc([C@@H](C)[C@@H](C)[NH2+]CC2CC[NH2+]CC2)cc1OC ZINC000564791899 302159276 /nfs/dbraw/zinc/15/92/76/302159276.db2.gz YSPZBRKVROFOKL-UONOGXRCSA-N 2 0 306.450 2.785 20 0 DFADRP C[C@@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)c1nc(-c2ccccc2)no1 ZINC000564826144 302161689 /nfs/dbraw/zinc/16/16/89/302161689.db2.gz FGZUKQBFLSKHSM-NTQSIJHJSA-N 2 0 312.417 2.713 20 0 DFADRP COc1ccc(C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)cc1O ZINC000564825788 302161805 /nfs/dbraw/zinc/16/18/05/302161805.db2.gz HTEOGUXBKWNIOY-ARFHVFGLSA-N 2 0 304.434 2.801 20 0 DFADRP C[NH+](C)[C@@H](CNC(=O)[C@]1(C)CCCC[NH2+]1)c1ccc(Cl)cc1 ZINC000564925919 302174294 /nfs/dbraw/zinc/17/42/94/302174294.db2.gz CYPTTWIFTQGWOK-RDJZCZTQSA-N 2 0 323.868 2.591 20 0 DFADRP C[N@@H+]1CCCC[C@H]1CCC(=O)N[C@@H](CCC[NH3+])c1ccccc1 ZINC000564956826 302176861 /nfs/dbraw/zinc/17/68/61/302176861.db2.gz WEBVWTJYXMCCRA-ROUUACIJSA-N 2 0 317.477 2.847 20 0 DFADRP CCc1cccc(C[NH2+]C[C@@H](C(C)C)N2CC[NH+](C)CC2)c1 ZINC000565079413 302191891 /nfs/dbraw/zinc/19/18/91/302191891.db2.gz IBYLKPSDFXBTBC-IBGZPJMESA-N 2 0 303.494 2.611 20 0 DFADRP [NH3+][C@H]1CCC[C@@H]([NH2+]CCc2nc(-c3cccc(Cl)c3)no2)C1 ZINC000565225618 302210292 /nfs/dbraw/zinc/21/02/92/302210292.db2.gz GHZFJYGLACTDMF-UONOGXRCSA-N 2 0 320.824 2.792 20 0 DFADRP C[NH2+]Cc1cccc(NC(=O)NC2CC([NH+]3CCCCC3)C2)c1 ZINC000565292907 302216080 /nfs/dbraw/zinc/21/60/80/302216080.db2.gz OJFGGUWZTZGXFS-UHFFFAOYSA-N 2 0 316.449 2.544 20 0 DFADRP C[NH+](C)[C@@H]1CCC[C@@H]([NH2+]C[C@@H](O)Cc2cccc(Cl)c2)C1 ZINC000565652547 302235209 /nfs/dbraw/zinc/23/52/09/302235209.db2.gz XAWWXKDXXRCADO-ZACQAIPSSA-N 2 0 310.869 2.706 20 0 DFADRP CCc1ccc([C@@H](CNC(=O)[C@H]2CCCCC[NH2+]2)[NH+](C)C)cc1 ZINC000566011855 302253283 /nfs/dbraw/zinc/25/32/83/302253283.db2.gz IIHPFVDHQWAFDK-QZTJIDSGSA-N 2 0 317.477 2.500 20 0 DFADRP C[C@@H]([NH2+]Cc1cc(N(C)C)nc2ccccc12)[C@@H]1CCC[NH2+]C1 ZINC000566089587 302258325 /nfs/dbraw/zinc/25/83/25/302258325.db2.gz UQWYNCAZRQXCOY-HUUCEWRRSA-N 2 0 312.461 2.779 20 0 DFADRP Cn1ccnc1[C@H]([NH2+]C1CCC(C[NH3+])CC1)c1cccc(F)c1 ZINC000566089033 302258394 /nfs/dbraw/zinc/25/83/94/302258394.db2.gz DJHYCMUFETTWSK-QWFMPGPPSA-N 2 0 316.424 2.756 20 0 DFADRP C[C@H](NC[C@@H](C1CC1)[N@H+](C)Cc1ccccc1)[C@@H]1CCC[NH2+]C1 ZINC000566090692 302258622 /nfs/dbraw/zinc/25/86/22/302258622.db2.gz JACWNTDFMMIARW-DBVUQKKJSA-N 2 0 315.505 2.875 20 0 DFADRP C[C@H]1CCC[N@H+](CCCC[NH2+]C[C@H](O)Cc2ccc(F)cc2)C1 ZINC000566106171 302259867 /nfs/dbraw/zinc/25/98/67/302259867.db2.gz IXDNPPJPEIFRFB-QFBILLFUSA-N 2 0 322.468 2.831 20 0 DFADRP CCC[N@H+](CC)Cc1ccc(C(=O)N[C@@H](C)C[C@@H](C)[NH3+])cc1 ZINC000566294960 302275977 /nfs/dbraw/zinc/27/59/77/302275977.db2.gz HMFUQVDHESECDK-CABCVRRESA-N 2 0 305.466 2.774 20 0 DFADRP COCCCOc1ccc(C[NH2+][C@@H](C)[C@H]2CCC[NH2+]C2)cc1 ZINC000566555759 302294902 /nfs/dbraw/zinc/29/49/02/302294902.db2.gz XIBMGYPORGKPPU-RDJZCZTQSA-N 2 0 306.450 2.580 20 0 DFADRP C[C@H](CC[NH+](C)C)[NH2+]C[C@H](O)Cc1ccc2ccccc2c1 ZINC000566615374 302299369 /nfs/dbraw/zinc/29/93/69/302299369.db2.gz IKWDZLUQZNTHPO-DNVCBOLYSA-N 2 0 300.446 2.673 20 0 DFADRP C[C@@H]1C[C@@H]1c1ccc(CN[C@@H]2CCOC[C@@H]2[C@H]2CCC[NH2+]2)o1 ZINC000566732215 302307968 /nfs/dbraw/zinc/30/79/68/302307968.db2.gz GKVYIOKJVHCNQL-GWZLXJJCSA-N 2 0 304.434 2.650 20 0 DFADRP [NH3+][C@H]1CCC[C@@H]([NH2+]CCC2CCN(CC(F)(F)F)CC2)C1 ZINC000566865848 302318751 /nfs/dbraw/zinc/31/87/51/302318751.db2.gz FQPXWHCKGUUGSP-UONOGXRCSA-N 2 0 307.404 2.510 20 0 DFADRP C[C@H](CC1CCCC1)[NH2+]CC(=O)NCC[NH+]1CCCCCC1 ZINC000566990245 302327713 /nfs/dbraw/zinc/32/77/13/302327713.db2.gz VUGPAZZRWHJMLM-MRXNPFEDSA-N 2 0 309.498 2.537 20 0 DFADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCCC2 ZINC000567102852 302335714 /nfs/dbraw/zinc/33/57/14/302335714.db2.gz XKNRRFWTCUNCEV-RUGDWHBFSA-N 2 0 315.461 2.847 20 0 DFADRP Cc1cc(C[NH3+])cc(NC(=O)N[C@H](C)C[NH+]2CCC(C)CC2)c1 ZINC000567250196 302345566 /nfs/dbraw/zinc/34/55/66/302345566.db2.gz DAJPHRXOROCHTE-OAHLLOKOSA-N 2 0 318.465 2.696 20 0 DFADRP C[C@H]([NH2+][C@@H]1CCN(c2cccc(Cl)c2)C1)[C@@H]1CCC[NH2+]C1 ZINC000567641191 302375752 /nfs/dbraw/zinc/37/57/52/302375752.db2.gz KHMJRKMZEIJEMZ-SQWLQELKSA-N 2 0 307.869 2.896 20 0 DFADRP C[C@@H]1C[NH+](Cc2cccc(N[C@@H]3CCC[C@@H]3[NH3+])c2)C[C@@H](C)O1 ZINC000567645853 302375783 /nfs/dbraw/zinc/37/57/83/302375783.db2.gz FDFWJQBCCKNUSO-KJWYOANISA-N 2 0 303.450 2.588 20 0 DFADRP C[C@@H]1C[NH+](Cc2cccc(N[C@@H]3CCC[C@H]3[NH3+])c2)C[C@@H](C)O1 ZINC000567645851 302375937 /nfs/dbraw/zinc/37/59/37/302375937.db2.gz FDFWJQBCCKNUSO-DTTOXWODSA-N 2 0 303.450 2.588 20 0 DFADRP COCC1([NH2+]Cc2cn(-c3cc[nH+]cc3)nc2C)CCCC1 ZINC000568272191 302437525 /nfs/dbraw/zinc/43/75/25/302437525.db2.gz RGJDMKFZTOACMZ-UHFFFAOYSA-N 2 0 300.406 2.625 20 0 DFADRP [NH3+][C@@H]1CCC[C@@H]([NH2+]CC2CC[NH+](Cc3cccs3)CC2)C1 ZINC000568664642 302468736 /nfs/dbraw/zinc/46/87/36/302468736.db2.gz XHJDECORRDDBIP-HZPDHXFCSA-N 3 0 307.507 2.820 20 0 DFADRP C[C@H]([NH2+][C@H]1CC(C)(C)Oc2ccc(N)cc21)[C@H]1CCC[NH2+]C1 ZINC000569942418 302547723 /nfs/dbraw/zinc/54/77/23/302547723.db2.gz SXZKSAFBFQXCOR-XEZPLFJOSA-N 2 0 303.450 2.849 20 0 DFADRP C[C@H]([NH2+]CC1CC[NH+](Cc2cccs2)CC1)[C@H]1CCC[NH2+]C1 ZINC000570199926 302561176 /nfs/dbraw/zinc/56/11/76/302561176.db2.gz FXQPSZUOTZSLFH-RDJZCZTQSA-N 3 0 321.534 2.938 20 0 DFADRP C[NH+](C)Cc1cccc(NC(=O)C[C@@H]([NH3+])Cc2ccccc2)c1 ZINC000570687071 302587171 /nfs/dbraw/zinc/58/71/71/302587171.db2.gz RZTRJKNQNSTXCN-KRWDZBQOSA-N 2 0 311.429 2.647 20 0 DFADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+][C@@H]1CCC[C@H](N2CCCC2=O)C1 ZINC000570699100 302588140 /nfs/dbraw/zinc/58/81/40/302588140.db2.gz PLFWFCCCSPLPSM-XDNAFOTISA-N 2 0 321.509 2.820 20 0 DFADRP Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)[NH2+][C@@H]1CCC[C@@H]([NH3+])C1 ZINC000571700862 302629224 /nfs/dbraw/zinc/62/92/24/302629224.db2.gz AQAINRFRPMIKGG-ZWKOPEQDSA-N 2 0 318.387 2.983 20 0 DFADRP [NH3+][C@H](CCC(=O)N1CC[NH2+]C[C@H]1c1ccccc1)c1ccccc1 ZINC000572976468 302687347 /nfs/dbraw/zinc/68/73/47/302687347.db2.gz VZYIRXBFDVEFTF-MOPGFXCFSA-N 2 0 323.440 2.640 20 0 DFADRP C[C@H]([NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1)c1ccc2c(c1)CCC(=O)N2 ZINC000573476328 302706955 /nfs/dbraw/zinc/70/69/55/302706955.db2.gz WSBGTPLSSKZRPM-OSMBCOQSSA-N 2 0 313.445 2.610 20 0 DFADRP CC[NH+](CC)Cc1cccc(C[NH2+]C[C@@H](O)CC(F)(F)F)c1 ZINC000573953726 302732996 /nfs/dbraw/zinc/73/29/96/302732996.db2.gz LYDSDAAAWQNPQY-HNNXBMFYSA-N 2 0 318.383 2.931 20 0 DFADRP C[C@H]([NH2+]C[C@H]1CCN(c2ccccc2F)C1)[C@@H]1CCC[NH2+]C1 ZINC000574307559 302752235 /nfs/dbraw/zinc/75/22/35/302752235.db2.gz ISQNBPNVJHMJMG-ARFHVFGLSA-N 2 0 305.441 2.630 20 0 DFADRP CC[NH+]1CCN([C@@H](C)C[NH2+][C@@H]2CCCc3cc(F)ccc32)CC1 ZINC000182428419 316102246 /nfs/dbraw/zinc/10/22/46/316102246.db2.gz IYOSBBIHOQXPCE-HNAYVOBHSA-N 2 0 319.468 2.819 20 0 DFADRP CCC[C@H]([NH2+]C[C@@H](C)N1CC[NH+](CC)CC1)c1cccnc1 ZINC000185021556 316178301 /nfs/dbraw/zinc/17/83/01/316178301.db2.gz DQVDFLHABIABEK-AEFFLSMTSA-N 2 0 304.482 2.538 20 0 DFADRP C[C@H]([NH2+]CCC(=O)NC1CCCC1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185749713 316191691 /nfs/dbraw/zinc/19/16/91/316191691.db2.gz HEKGKQKZRAETCX-JKSUJKDBSA-N 2 0 321.509 2.678 20 0 DFADRP COc1cc2c(cc1C[NH+]1CCC([C@H](C)[NH3+])CC1)O[C@@H](C)C2 ZINC000317054550 316246984 /nfs/dbraw/zinc/24/69/84/316246984.db2.gz XGHOBTRNSCQBHB-STQMWFEESA-N 2 0 304.434 2.578 20 0 DFADRP CCn1c2ccccc2nc1C[NH2+]CC1(C)CC[NH+](C)CC1 ZINC000318751175 316249642 /nfs/dbraw/zinc/24/96/42/316249642.db2.gz ZDIIUCYQUIURIK-UHFFFAOYSA-N 2 0 300.450 2.878 20 0 DFADRP [NH3+]Cc1ccc(C(=O)Nc2ccc(C[NH+]3CCCC3)cc2)cc1 ZINC000319593045 316251252 /nfs/dbraw/zinc/25/12/52/316251252.db2.gz KQKCXNVARLZVBU-UHFFFAOYSA-N 2 0 309.413 2.993 20 0 DFADRP C[C@@H]1C[C@H](N[C@H]2CC[NH+](C)C[C@H]2C)C[N@@H+]1Cc1ccccc1 ZINC000336716893 316299842 /nfs/dbraw/zinc/29/98/42/316299842.db2.gz QATZONVTLWUPIX-FPAYPSAMSA-N 2 0 301.478 2.579 20 0 DFADRP C[N@@H+]1CC[C@@H](c2nc(-c3cccc(C[NH+]4CCCC4)c3)no2)C1 ZINC000350022761 316373852 /nfs/dbraw/zinc/37/38/52/316373852.db2.gz IZPQIAQGGQHZPV-MRXNPFEDSA-N 2 0 312.417 2.752 20 0 DFADRP C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)[C@H]([NH3+])c2ccccc2)C1 ZINC000353525926 316533049 /nfs/dbraw/zinc/53/30/49/316533049.db2.gz OSZFXPFTWMAZGX-JFIYKMOQSA-N 2 0 317.477 2.561 20 0 DFADRP C[C@@H]1C[C@@H](C[NH+]2CCC(N3CCc4ccccc43)CC2)CC[NH2+]1 ZINC000414760424 316648014 /nfs/dbraw/zinc/64/80/14/316648014.db2.gz YQKYSQQQNWAAHN-SJORKVTESA-N 2 0 313.489 2.902 20 0 DFADRP c1ccc([C@H]2CCCC[C@H]([NH2+]CCCN3CC[NH2+]CC3)C2)cc1 ZINC000414775480 316650842 /nfs/dbraw/zinc/65/08/42/316650842.db2.gz CUGVIKDANYJPNX-PMACEKPBSA-N 2 0 315.505 2.988 20 0 DFADRP Clc1ccc([C@H]2CCC[C@@H]2[NH2+]CCCN2CC[NH2+]CC2)cc1 ZINC000414784805 316654487 /nfs/dbraw/zinc/65/44/87/316654487.db2.gz TULSDPPZHPIGJR-MSOLQXFVSA-N 2 0 321.896 2.861 20 0 DFADRP Cc1nn(-c2ccc(F)cc2)cc1C[NH2+][C@@H]1CCC[C@H]1C[NH3+] ZINC000414791561 316659050 /nfs/dbraw/zinc/65/90/50/316659050.db2.gz HWVIQXNVRBCQRX-SUMWQHHRSA-N 2 0 302.397 2.537 20 0 DFADRP CCOC(=O)C1CCC([NH2+]Cc2ccc([C@@H](C)[NH3+])cc2)CC1 ZINC000414806774 316663979 /nfs/dbraw/zinc/66/39/79/316663979.db2.gz IEJZEKDLCGEVQE-NVPAJSRCSA-N 2 0 304.434 2.918 20 0 DFADRP C[NH+](C)CCN(C(=O)C1(C[NH+](C)C)CCCCC1)C1CCCC1 ZINC000426409165 316817244 /nfs/dbraw/zinc/81/72/44/316817244.db2.gz GCCRAKWBCOFYGJ-UHFFFAOYSA-N 2 0 323.525 2.831 20 0 DFADRP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1NC(=O)c1ccc(C[NH3+])cc1 ZINC000430776199 316855292 /nfs/dbraw/zinc/85/52/92/316855292.db2.gz OGYOBAGOQOYSLE-ROUUACIJSA-N 2 0 317.477 2.776 20 0 DFADRP CC(C)CCC1CCN(C(=O)CCC[NH+]2CCC([NH3+])CC2)CC1 ZINC000433153680 316882382 /nfs/dbraw/zinc/88/23/82/316882382.db2.gz QGPIWCSNYLPCEZ-UHFFFAOYSA-N 2 0 323.525 2.865 20 0 DFADRP CC[C@H]([NH2+]C1CC[NH+]([C@H](C)Cc2ccccc2)CC1)[C@@H](C)O ZINC000449541686 317039329 /nfs/dbraw/zinc/03/93/29/317039329.db2.gz KSYVWGQPZDLEBA-MDZRGWNJSA-N 2 0 304.478 2.831 20 0 DFADRP CC[NH+](CC)[C@H](C(=O)NC[C@H]1CCC[C@@H]([NH3+])C1)c1ccccc1 ZINC000449643192 317046671 /nfs/dbraw/zinc/04/66/71/317046671.db2.gz HROZYSQAHCMUBY-JQHSSLGASA-N 2 0 317.477 2.703 20 0 DFADRP COC[C@@H]1CCCC[NH+]1CC(C)C[N@H+]1CCCC[C@H]1COC ZINC000452039434 317120437 /nfs/dbraw/zinc/12/04/37/317120437.db2.gz OHOUKGXWKPBOSQ-ROUUACIJSA-N 2 0 312.498 2.624 20 0 DFADRP C[NH+](C)CCC[NH2+][C@@H](Cc1ccccc1Cl)[C@@H]1CCCO1 ZINC000453067344 317159103 /nfs/dbraw/zinc/15/91/03/317159103.db2.gz ZEQWEHJZJDGMDF-IRXDYDNUSA-N 2 0 310.869 2.971 20 0 DFADRP COC1([C@@H](C)[NH2+]CCC[N@H+](C)Cc2ccccc2)CCOCC1 ZINC000453077883 317159676 /nfs/dbraw/zinc/15/96/76/317159676.db2.gz ISPWMLJATJRLGN-QGZVFWFLSA-N 2 0 320.477 2.682 20 0 DFADRP CCC[C@@H]([NH2+]C[C@H](O)CN1CCc2ccccc2C1)C1CCC1 ZINC000453088982 317160486 /nfs/dbraw/zinc/16/04/86/317160486.db2.gz QMBLRDHYIRAUIJ-VQTJNVASSA-N 2 0 316.489 2.964 20 0 DFADRP CC[N@H+](C)CCN[C@@H]1CC[NH+](Cc2ccccc2)[C@H]2CCC[C@@H]21 ZINC000453081185 317160608 /nfs/dbraw/zinc/16/06/08/317160608.db2.gz PKKJOVCVBUJUOF-AQNXPRMDSA-N 2 0 315.505 2.971 20 0 DFADRP CCC[C@H]([NH2+]CCCN1CCC[C@@H]1C(=O)N(C)C)C(C)(C)C ZINC000453100166 317161765 /nfs/dbraw/zinc/16/17/65/317161765.db2.gz VFLMHSHMKLUYAG-CVEARBPZSA-N 2 0 311.514 2.734 20 0 DFADRP C[NH+](C)Cc1ccccc1C(=O)NC[C@H]1[N@H+](C)CCCC1(C)C ZINC000487510007 317346709 /nfs/dbraw/zinc/34/67/09/317346709.db2.gz ZRACMTCTPXFUNR-QGZVFWFLSA-N 2 0 317.477 2.598 20 0 DFADRP COCCSCCC[NH2+][C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000488278032 317380525 /nfs/dbraw/zinc/38/05/25/317380525.db2.gz IFHHJTYYPIMKAN-HOTGVXAUSA-N 2 0 314.539 2.999 20 0 DFADRP C[C@@H]1C[C@H]1C[NH2+]CCCC[NH+]1CCN(Cc2ccccc2)CC1 ZINC000488410080 317390740 /nfs/dbraw/zinc/39/07/40/317390740.db2.gz HZRMTQCSOFETTP-QUCCMNQESA-N 2 0 315.505 2.830 20 0 DFADRP CC(C)C1CC([NH2+]CC2(N3CCCCC3)CC[NH+](C)CC2)C1 ZINC000488422533 317391679 /nfs/dbraw/zinc/39/16/79/317391679.db2.gz MGEJQJRIRFMKJZ-UHFFFAOYSA-N 2 0 307.526 2.961 20 0 DFADRP CC[NH+]1CCN([C@H](C)C[NH2+][C@@H]2CS[C@@H](C(C)(C)C)C2)CC1 ZINC000488472693 317396360 /nfs/dbraw/zinc/39/63/60/317396360.db2.gz XMOQJWXTDMRGBX-OWCLPIDISA-N 2 0 313.555 2.522 20 0 DFADRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+][C@H]1CS[C@H](C(C)(C)C)C1 ZINC000488542222 317401795 /nfs/dbraw/zinc/40/17/95/317401795.db2.gz JOTUFCAXHUXTSR-OAGGEKHMSA-N 2 0 313.555 2.522 20 0 DFADRP CO[C@@H](C[NH+]1CCC([C@H]2CCC[NH2+]2)CC1)c1ccc(F)cc1 ZINC000530222408 317776646 /nfs/dbraw/zinc/77/66/46/317776646.db2.gz MVLUISZRAXJUME-MSOLQXFVSA-N 2 0 306.425 2.977 20 0 DFADRP C[NH+]1CCN(C[C@H]([NH2+][C@@H]2CCC2(C)C)c2ccccc2)CC1 ZINC000556584649 317866091 /nfs/dbraw/zinc/86/60/91/317866091.db2.gz XZBGOGIBKGGGNL-ZWKOTPCHSA-N 2 0 301.478 2.753 20 0 DFADRP [NH3+][C@H]1CCC[C@@H]([NH2+]CCc2coc(-c3ccc(F)cc3)n2)C1 ZINC000565903520 317932528 /nfs/dbraw/zinc/93/25/28/317932528.db2.gz JDQAFYISWJJPDS-LSDHHAIUSA-N 2 0 303.381 2.883 20 0 DFADRP C[C@H]([NH2+]C[C@H]1CC[C@H](C[NH3+])CC1)c1cccc(-n2ccnn2)c1 ZINC000566062601 317935716 /nfs/dbraw/zinc/93/57/16/317935716.db2.gz OQNBQKCKUHRGSS-JYJNAYRXSA-N 2 0 313.449 2.683 20 0 DFADRP CSC[C@@H](O)C[NH2+]Cc1ccccc1C[NH+]1CCCCCC1 ZINC000566118724 317937934 /nfs/dbraw/zinc/93/79/34/317937934.db2.gz YOTTUBFJFPEMMW-SFHVURJKSA-N 2 0 322.518 2.876 20 0 DFADRP CC[NH+](CC)CCOc1ccc(C[NH2+][C@H]2CCC[C@@H]([NH3+])C2)cc1 ZINC000574530683 318022821 /nfs/dbraw/zinc/02/28/21/318022821.db2.gz DCXYLOYDDSHBOS-MSOLQXFVSA-N 3 0 319.493 2.767 20 0 DFADRP Cc1ncncc1[C@H](C)[NH2+]Cc1cccc(OCC[NH+](C)C)c1 ZINC000574704346 318035112 /nfs/dbraw/zinc/03/51/12/318035112.db2.gz VGKPDZOGSUIUHR-AWEZNQCLSA-N 2 0 314.433 2.576 20 0 DFADRP CCC[C@](C)([NH3+])C(=O)NC[C@@H](c1ccc(Cl)cc1)[NH+](C)C ZINC000574808322 318041708 /nfs/dbraw/zinc/04/17/08/318041708.db2.gz AFDNHQZCSRUDJH-HOCLYGCPSA-N 2 0 311.857 2.576 20 0 DFADRP CC(C)CC1(C[NH2+]C[C@@H](O)CN2CCc3ccccc3C2)CC1 ZINC000574911987 318050061 /nfs/dbraw/zinc/05/00/61/318050061.db2.gz KZPVPEJYDGTBJP-LJQANCHMSA-N 2 0 316.489 2.822 20 0 DFADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+]Cc1c[nH]nc1-c1ccsc1 ZINC000574972444 318053912 /nfs/dbraw/zinc/05/39/12/318053912.db2.gz BUXNFLPRGAOBOL-MPLXBHQASA-N 2 0 302.447 2.744 20 0 DFADRP COc1cncc(/C=C\CC[N@@H+]2CC[C@@]3(CC[NH+](C)C3)C2)c1 ZINC000575744557 318080256 /nfs/dbraw/zinc/08/02/56/318080256.db2.gz CPEFKQWFXREJOG-LKIHTYOGSA-N 2 0 301.434 2.521 20 0 DFADRP CC(C)[NH2+]CCC[NH2+][C@H](C)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000576099257 318103683 /nfs/dbraw/zinc/10/36/83/318103683.db2.gz RKXKJCXRMIAXPQ-CYBMUJFWSA-N 2 0 303.450 2.955 20 0 DFADRP CC[NH2+]CCC[NH2+][C@H](C)c1ccc(OC(F)F)c(OC)c1 ZINC000576218812 318111610 /nfs/dbraw/zinc/11/16/10/318111610.db2.gz YBKURCKSKOTGQJ-LLVKDONJSA-N 2 0 302.365 2.947 20 0 DFADRP CC1(C[NH+]2CCN([C@H]3CC[N@H+](Cc4ccccc4)C3)CC2)CC1 ZINC000576433083 318125712 /nfs/dbraw/zinc/12/57/12/318125712.db2.gz WIGIRMWKMMNNAZ-IBGZPJMESA-N 2 0 313.489 2.679 20 0 DFADRP COC[C@H]1CCCC[N@@H+]1CCCC[NH+]1CCCC[C@H]1COC ZINC000576702528 318143982 /nfs/dbraw/zinc/14/39/82/318143982.db2.gz DCKVCHXMADPNAD-HDICACEKSA-N 2 0 312.498 2.768 20 0 DFADRP C[C@H](CNC(=O)Nc1ccc2c(c1)C[NH2+]C2)[NH+]1CCC(C)CC1 ZINC000576728652 318146299 /nfs/dbraw/zinc/14/62/99/318146299.db2.gz REZMXYIDVFPKEN-CQSZACIVSA-N 2 0 316.449 2.532 20 0 DFADRP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]CC1(O)CCC1 ZINC000577070482 318169421 /nfs/dbraw/zinc/16/94/21/318169421.db2.gz NOGWGJRPSWQSBM-VQFNDLOPSA-N 2 0 302.462 2.648 20 0 DFADRP C[C@@H]1[NH2+]CC[C@@H]1C(=O)Nc1ccc(C[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000577509343 318198255 /nfs/dbraw/zinc/19/82/55/318198255.db2.gz WDQVHNGUXUUOFG-MPGHIAIKSA-N 2 0 315.461 2.998 20 0 DFADRP [NH3+]CCC[N@@H+](Cc1ccc2c(c1)C[NH2+]CC2)CC1CCCC1 ZINC000577521749 318199361 /nfs/dbraw/zinc/19/93/61/318199361.db2.gz QESBPKWQXJCQNU-UHFFFAOYSA-N 3 0 301.478 2.673 20 0 DFADRP Cc1cc(Cl)cc(C)c1CN(CC[NH+](C)C)CC[NH+](C)C ZINC000577562133 318200779 /nfs/dbraw/zinc/20/07/79/318200779.db2.gz RCYMQKSKCWTDIF-UHFFFAOYSA-N 2 0 311.901 2.882 20 0 DFADRP CC[C@H](C[NH2+][C@@H](C)[C@H]1CCC[NH2+]C1)N1CCc2ccccc2C1 ZINC000577739727 318213900 /nfs/dbraw/zinc/21/39/00/318213900.db2.gz DJKWDVMFEDIZBK-XKGZKEIXSA-N 2 0 315.505 2.801 20 0 DFADRP C[C@@H]1C[C@H]([NH2+][C@@H]2CC3(CC[NH+](C)CC3)Oc3ccccc32)CO1 ZINC000577952260 318227867 /nfs/dbraw/zinc/22/78/67/318227867.db2.gz ARLHVITXOHGEMY-HLLBOEOZSA-N 2 0 316.445 2.742 20 0 DFADRP Cc1c(F)cccc1NC(=O)CC[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000578127549 318239617 /nfs/dbraw/zinc/23/96/17/318239617.db2.gz CVJYNZLMWIKZCM-TZMCWYRMSA-N 2 0 307.413 2.535 20 0 DFADRP C[C@H]1C[C@H]([NH3+])CC[N@@H+]1CCC(=O)Nc1ccc(Cl)cc1F ZINC000578140000 318240617 /nfs/dbraw/zinc/24/06/17/318240617.db2.gz VQARRQABNHVJFY-CMPLNLGQSA-N 2 0 313.804 2.619 20 0 DFADRP C[C@H]([NH2+]Cc1ccc2c(c1)C[NH2+]CC2)[C@@H]1COc2ccccc21 ZINC000578137140 318240889 /nfs/dbraw/zinc/24/08/89/318240889.db2.gz UANCCHIRJLCPHL-LIRRHRJNSA-N 2 0 308.425 2.987 20 0 DFADRP C[C@H]([NH2+]CCC1CCN(CC(F)(F)F)CC1)[C@H]1CCC[NH2+]C1 ZINC000578433962 318260453 /nfs/dbraw/zinc/26/04/53/318260453.db2.gz RPSCRDDDPNMZFA-ZFWWWQNUSA-N 2 0 321.431 2.629 20 0 DFADRP Cc1ccccc1NC(=O)C[C@H](C)[NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000578977105 318298715 /nfs/dbraw/zinc/29/87/15/318298715.db2.gz PMHCWGAUANNEPK-QILLFSRXSA-N 2 0 315.461 2.690 20 0 DFADRP Cc1cccc(NC(=O)C[C@@H](C)[NH2+]CCC[C@H]2CCC[NH2+]2)c1 ZINC000578978845 318299112 /nfs/dbraw/zinc/29/91/12/318299112.db2.gz ASRLZHHBIYPXTQ-CVEARBPZSA-N 2 0 303.450 2.834 20 0 DFADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+]Cc1cnc(-c2ccncc2)s1 ZINC000579208293 318314383 /nfs/dbraw/zinc/31/43/83/318314383.db2.gz XBZZBBCRJSUCOA-KKNUOHPOSA-N 2 0 314.458 2.811 20 0 DFADRP [NH3+][C@@H]1CCC[C@H]1[NH2+]C1CCN(c2nc3ccccc3s2)CC1 ZINC000579462125 318331590 /nfs/dbraw/zinc/33/15/90/318331590.db2.gz HSBXAZZZPJONAI-ZIAGYGMSSA-N 2 0 316.474 2.735 20 0 DFADRP [NH3+][C@H]1CCC[C@H]1[NH2+]C1CCN(c2nc3ccccc3s2)CC1 ZINC000579462124 318331823 /nfs/dbraw/zinc/33/18/23/318331823.db2.gz HSBXAZZZPJONAI-UONOGXRCSA-N 2 0 316.474 2.735 20 0 DFADRP CC1CCC([NH2+]Cc2cccnc2N2CC[NH+](C)CC2)CC1 ZINC000579509016 318335919 /nfs/dbraw/zinc/33/59/19/318335919.db2.gz SJUVZXMBQCYXNE-UHFFFAOYSA-N 2 0 302.466 2.502 20 0 DFADRP C[C@@H]1CN(CCC(=O)Nc2ccccc2-c2ccccc2)C[C@H]1[NH3+] ZINC000579574126 318339887 /nfs/dbraw/zinc/33/98/87/318339887.db2.gz BKKOAJQUUAMBQU-CRAIPNDOSA-N 2 0 323.440 2.961 20 0 DFADRP C[C@@H]1CC[C@@H]([NH2+]CC2([NH3+])CCCCCC2)[C@H](n2cncn2)C1 ZINC000579944617 318364851 /nfs/dbraw/zinc/36/48/51/318364851.db2.gz HXWPKXFEYQQXTQ-BZUAXINKSA-N 2 0 305.470 2.649 20 0 DFADRP C[C@@H]1C[C@H](C)[N@H+](Cc2cnc(-c3ccccc3)nc2)C[C@@H]1C[NH3+] ZINC000579944624 318364873 /nfs/dbraw/zinc/36/48/73/318364873.db2.gz IBDQJGWVWDZGMS-VKJFTORMSA-N 2 0 310.445 2.949 20 0 DFADRP COc1cc2c(cc1C[NH2+]Cc1ccc(C[NH3+])cc1)O[C@H](C)C2 ZINC000580074220 318373423 /nfs/dbraw/zinc/37/34/23/318373423.db2.gz JPPZOLZJUOMPTJ-CYBMUJFWSA-N 2 0 312.413 2.767 20 0 DFADRP C[C@@H]1C[C@H](N[C@@H]2CCC[C@H]2C[NH3+])CC[N@@H+]1Cc1ccccc1 ZINC000379630145 323289559 /nfs/dbraw/zinc/28/95/59/323289559.db2.gz KUIMBJKFCQDXDD-QXCFHYIPSA-N 2 0 301.478 2.757 20 0 DFADRP Brc1cc(C[N@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)cs1 ZINC000379867839 323290207 /nfs/dbraw/zinc/29/02/07/323290207.db2.gz UXDLCFKRFOUDAB-TXEJJXNPSA-N 2 0 315.280 2.942 20 0 DFADRP CC[N@@H+]1CC[C@H](N[C@@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)C1 ZINC000379654567 323290730 /nfs/dbraw/zinc/29/07/30/323290730.db2.gz IYTMZVDZFYREFH-QRQLOZEOSA-N 2 0 301.478 2.723 20 0 DFADRP [NH3+]C[C@@H]1CCC[C@H]1[NH2+]C[C@@H]1CCCCN1Cc1ccccc1 ZINC000379632366 323290772 /nfs/dbraw/zinc/29/07/72/323290772.db2.gz SKWDZEMGDLOFSK-GBESFXJTSA-N 2 0 301.478 2.758 20 0 DFADRP C[C@@H]1CN(Cc2ccccc2)CCC[N@@H+]1CC[C@@H]1CCC[NH2+]C1 ZINC000382712576 323301264 /nfs/dbraw/zinc/30/12/64/323301264.db2.gz WCERTMBLAXTLNU-MOPGFXCFSA-N 2 0 315.505 2.973 20 0 DFADRP CCN(CCC[NH2+][C@H]1CC[N@H+](C)C[C@@H]1C)C(=O)OC(C)(C)C ZINC000382826387 323302329 /nfs/dbraw/zinc/30/23/29/323302329.db2.gz DGVDZPRJKPFBQG-GJZGRUSLSA-N 2 0 313.486 2.563 20 0 DFADRP C[N@H+](CCNC(=O)[C@@H]([NH3+])CC1CCCCC1)Cc1ccccc1 ZINC000386747857 323319921 /nfs/dbraw/zinc/31/99/21/323319921.db2.gz FUIWMESFTMBJBT-SFHVURJKSA-N 2 0 317.477 2.532 20 0 DFADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1Nc1cccc(OCC[NH+](C)C)c1 ZINC000387312450 323323826 /nfs/dbraw/zinc/32/38/26/323323826.db2.gz OJZMSXBRENSXGO-RVKKMQEKSA-N 2 0 305.466 2.768 20 0 DFADRP C[NH2+][C@@H](CC(C)(C)C)C(=O)N[C@H](C)C[N@H+](C)Cc1ccccc1 ZINC000387494159 323325492 /nfs/dbraw/zinc/32/54/92/323325492.db2.gz AZVXJSLAKOGOIW-WBVHZDCISA-N 2 0 319.493 2.647 20 0 DFADRP CCN(C(=O)OC(C)(C)C)[C@H](C)C[NH2+]C1CC[NH+](CC)CC1 ZINC000387640211 323326560 /nfs/dbraw/zinc/32/65/60/323326560.db2.gz HZLWDPVXUFSEPL-CQSZACIVSA-N 2 0 313.486 2.706 20 0 DFADRP C[NH+]1CCC(C[NH2+]Cc2ccsc2Br)CC1 ZINC000388521765 323331388 /nfs/dbraw/zinc/33/13/88/323331388.db2.gz ARMZXAYCESUZLW-UHFFFAOYSA-N 2 0 303.269 2.942 20 0 DFADRP O=C(CC[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1)Nc1ccccc1Cl ZINC000389725231 323335947 /nfs/dbraw/zinc/33/59/47/323335947.db2.gz PJNLSABDXRXEIC-OKILXGFUSA-N 2 0 321.852 2.600 20 0 DFADRP C[NH+]1CCC(CC[NH2+]C2CCC(O)(C(F)(F)F)CC2)CC1 ZINC000396323972 323352433 /nfs/dbraw/zinc/35/24/33/323352433.db2.gz PYKVQNQVEFDZLT-UHFFFAOYSA-N 2 0 308.388 2.544 20 0 DFADRP C[C@]1(CN[C@@H]2CCC[C@@H]([NH3+])C2)CCC[N@@H+]1Cc1ccccc1 ZINC000398024897 323356168 /nfs/dbraw/zinc/35/61/68/323356168.db2.gz XRBPPDIDYCPPES-GUDVDZBRSA-N 2 0 301.478 2.901 20 0 DFADRP Cn1cc([C@H]([NH2+]C[C@H]2CC[C@H](C[NH3+])CC2)c2ccccc2)cn1 ZINC000580302288 323367216 /nfs/dbraw/zinc/36/72/16/323367216.db2.gz GKWWXURXNLWWDT-GPMSIDNRSA-N 2 0 312.461 2.864 20 0 DFADRP C[C@H](Cc1ccsc1)[NH+]1CCC(C[NH+]2CCN(C)CC2)CC1 ZINC000580498786 323392490 /nfs/dbraw/zinc/39/24/90/323392490.db2.gz ASJRIKJNNBSAAE-MRXNPFEDSA-N 2 0 321.534 2.639 20 0 DFADRP C[C@H]([NH2+][C@@H]1CCC[C@H]([NH3+])C1)c1ccc(-n2cccn2)c(F)c1 ZINC000581021994 323466081 /nfs/dbraw/zinc/46/60/81/323466081.db2.gz HQYTTWMWEUWPNH-AEGPPILISA-N 2 0 302.397 2.932 20 0 DFADRP C[C@@H]([NH2+]Cc1ccc(N2CCCCC2)nc1)[C@@H]1CCC[NH2+]C1 ZINC000581997110 323599399 /nfs/dbraw/zinc/59/93/99/323599399.db2.gz WTVFCONQMPKGGO-NVXWUHKLSA-N 2 0 302.466 2.550 20 0 DFADRP C[C@@H](C(=O)Nc1cccc2c1CC[NH2+]C2)[C@@H]([NH3+])c1ccccc1 ZINC000582476407 323678320 /nfs/dbraw/zinc/67/83/20/323678320.db2.gz VFAGDRQIKQHYKX-FZKQIMNGSA-N 2 0 309.413 2.607 20 0 DFADRP C[NH+]1CCC(Oc2ccc(C[NH2+]CC3(O)CCCC3)cc2)CC1 ZINC000583200108 323813226 /nfs/dbraw/zinc/81/32/26/323813226.db2.gz PDJXVDNMNDPPBA-UHFFFAOYSA-N 2 0 318.461 2.554 20 0 DFADRP COc1ccccc1N1CCC([NH2+][C@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000583451365 323858605 /nfs/dbraw/zinc/85/86/05/323858605.db2.gz SJGIWUISSJBZPD-ZBFHGGJFSA-N 2 0 303.450 2.524 20 0 DFADRP CC(C)C[C@H](CNC(=O)C(C)(C)C[NH3+])[NH2+][C@@H](C)c1ccccc1 ZINC000583750769 323907202 /nfs/dbraw/zinc/90/72/02/323907202.db2.gz MHKUCXDDDGJXHQ-DOTOQJQBSA-N 2 0 319.493 2.853 20 0 DFADRP C[NH+](C)CCN(CC[NH+](C)C)Cc1ccc(Cl)c(Cl)c1 ZINC000584140707 331841725 /nfs/dbraw/zinc/84/17/25/331841725.db2.gz UMSSKDQZEHRKLO-UHFFFAOYSA-N 2 0 318.292 2.919 20 0 DFADRP C[C@@H]([NH2+]Cc1ccc(N2CCC(C)CC2)nc1)[C@H]1CCC[NH2+]C1 ZINC000584279224 332204695 /nfs/dbraw/zinc/20/46/95/332204695.db2.gz BWCQFTNAPAONDT-AEFFLSMTSA-N 2 0 316.493 2.796 20 0 DFADRP COc1cccc2c1CC[C@@H]([NH2+]C1C[C@H]3CC[C@@H](C1)[N@H+]3C)C2 ZINC000294716694 533859601 /nfs/dbraw/zinc/85/96/01/533859601.db2.gz CGNGQFDRFUWVMM-MGNMYUMUSA-N 2 0 300.446 2.767 20 0 DFADRP Cc1ccc(C[NH+](C)C)cc1NC(=O)C[C@@H]1CCCC[C@@H]1[NH3+] ZINC000295043621 533867755 /nfs/dbraw/zinc/86/77/55/533867755.db2.gz FBYGSVBYKFHBKR-HOTGVXAUSA-N 2 0 303.450 2.903 20 0 DFADRP CC(C)[C@H](C(=O)N1CCC[C@@H](C[NH+]2CCCCCC2)C1)[NH+](C)C ZINC000154721122 519809139 /nfs/dbraw/zinc/80/91/39/519809139.db2.gz YKYGOXNYVCOJNJ-ZWKOTPCHSA-N 2 0 323.525 2.687 20 0 DFADRP Cc1ccc2[nH+]ccc(N3CCC([N@H+](C)CCCO)CC3)c2c1 ZINC000302159509 534520071 /nfs/dbraw/zinc/52/00/71/534520071.db2.gz OLJLUAMCWBWUSM-UHFFFAOYSA-N 2 0 313.445 2.826 20 0 DFADRP CC[NH+]1CCC(CC[NH2+]C2CCN(c3nccs3)CC2)CC1 ZINC000364948594 521550155 /nfs/dbraw/zinc/55/01/55/521550155.db2.gz YZLYBUPLUNJBPY-UHFFFAOYSA-N 2 0 322.522 2.824 20 0 DFADRP CCC[NH+](CCC)CCCC(=O)N1CC[C@@]2(CCC[C@H]2[NH3+])C1 ZINC000364180846 521643738 /nfs/dbraw/zinc/64/37/38/521643738.db2.gz COMYCTKNYQASJG-AEFFLSMTSA-N 2 0 309.498 2.619 20 0 DFADRP CCN1CC[NH+](CCCC[NH2+][C@@H]2CCc3c2cccc3C)CC1 ZINC000154459843 521680483 /nfs/dbraw/zinc/68/04/83/521680483.db2.gz OPSTYXBJQHSBOU-HXUWFJFHSA-N 2 0 315.505 2.990 20 0 DFADRP CC[NH+]1CCN([C@H](C)C[NH2+][C@@H](C)c2cc3c(s2)CCC3)CC1 ZINC000155660174 521694822 /nfs/dbraw/zinc/69/48/22/521694822.db2.gz CDAPATUMPKPXDP-CABCVRRESA-N 2 0 321.534 2.913 20 0 DFADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]CC2CCSCC2)[C@H](C)C1 ZINC000361396096 521707855 /nfs/dbraw/zinc/70/78/55/521707855.db2.gz DIBRLSSMBIYSIE-WBVHZDCISA-N 2 0 314.539 2.856 20 0 DFADRP CC[N@@H+]1CC[C@@H](C[NH2+][C@@H](C)c2cccc(N3CCCC3=O)c2)C1 ZINC000163269364 521710603 /nfs/dbraw/zinc/71/06/03/521710603.db2.gz SNZDXKJLJICYNC-HOTGVXAUSA-N 2 0 315.461 2.806 20 0 DFADRP Cc1[nH+]c2ccccc2c(NC[C@@H](C)[NH+]2CCN(C)CC2)c1C ZINC000302101707 534670955 /nfs/dbraw/zinc/67/09/55/534670955.db2.gz VILNZHRBEWPWOY-CQSZACIVSA-N 2 0 312.461 2.899 20 0 DFADRP C[N@H+](Cc1ccccc1)[C@H]1CCC[NH+](CCC2OCCO2)CC1 ZINC000363839751 523350134 /nfs/dbraw/zinc/35/01/34/523350134.db2.gz ZNEMZVXEAIEJSM-SFHVURJKSA-N 2 0 318.461 2.736 20 0 DFADRP Cc1cnn(CC[N@@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)c1 ZINC000310219072 534742689 /nfs/dbraw/zinc/74/26/89/534742689.db2.gz FSPIDZROIXGFFX-PMACEKPBSA-N 2 0 324.472 2.645 20 0 DFADRP Cc1nccn1CC[N@H+]1C[C@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1 ZINC000310320787 534774672 /nfs/dbraw/zinc/77/46/72/534774672.db2.gz YPIAYMWLCUCSPL-WOJBJXKFSA-N 2 0 324.472 2.645 20 0 DFADRP [NH3+][C@@H]1CCC[C@@H](C(=O)NC2CC[NH+](CC3CCCCC3)CC2)C1 ZINC000366333515 527349463 /nfs/dbraw/zinc/34/94/63/527349463.db2.gz NPBJKKYEAKJTOJ-IAGOWNOFSA-N 2 0 321.509 2.665 20 0 DFADRP FC(F)COCC[NH2+]C1CC[NH+](CC2CCCCC2)CC1 ZINC000364820573 527693304 /nfs/dbraw/zinc/69/33/04/527693304.db2.gz ZZJIUZUEIJMUGL-UHFFFAOYSA-N 2 0 304.425 2.902 20 0 DFADRP CC(C)CC[NH+]1CCC(C[NH2+]Cc2cn3cccnc3n2)CC1 ZINC000297562281 527725458 /nfs/dbraw/zinc/72/54/58/527725458.db2.gz HGALPGRRQWFZHR-UHFFFAOYSA-N 2 0 315.465 2.577 20 0 DFADRP CC(C)[C@H](O)C[N@@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000309747969 527732699 /nfs/dbraw/zinc/73/26/99/527732699.db2.gz YHFAVRGGLYQVLO-LJQANCHMSA-N 2 0 316.489 2.991 20 0 DFADRP CC(C)OCC[N@@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000310017776 527963270 /nfs/dbraw/zinc/96/32/70/527963270.db2.gz PFBYBKTZSYKSQF-OALUTQOASA-N 2 0 302.462 2.865 20 0 DFADRP CCOC(=O)c1cc(C[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@H+]3C)[nH]c1C ZINC000295684671 528167625 /nfs/dbraw/zinc/16/76/25/528167625.db2.gz LEMKBLVWVMZLFI-VHRNVKJDSA-N 2 0 319.449 2.605 20 0 DFADRP CC[NH+](CC)Cc1ccc(CNC(=O)[C@@]2(CC)CC[NH2+]C2)cc1 ZINC000320806101 528189587 /nfs/dbraw/zinc/18/95/87/528189587.db2.gz ZDMTUNPIYSYLQO-IBGZPJMESA-N 2 0 317.477 2.534 20 0 DFADRP CC[NH+](CC)[C@@H](C(=O)NCCC[C@H]1CCC[NH2+]1)c1ccccc1 ZINC000294841405 528225794 /nfs/dbraw/zinc/22/57/94/528225794.db2.gz MRECBJDOCIPTJX-QZTJIDSGSA-N 2 0 317.477 2.718 20 0 DFADRP CC[NH2+]CC1CC[NH+](CC(=O)N[C@H](C)CCCC(C)C)CC1 ZINC000316626811 528290884 /nfs/dbraw/zinc/29/08/84/528290884.db2.gz YNRUEVQWXDCRDS-MRXNPFEDSA-N 2 0 311.514 2.639 20 0 DFADRP CCC[NH2+][C@@H](C)C(=O)NCc1ccc(C[NH+](CC)CC)cc1 ZINC000294809427 528541519 /nfs/dbraw/zinc/54/15/19/528541519.db2.gz QDVCSURALNWHTH-HNNXBMFYSA-N 2 0 305.466 2.533 20 0 DFADRP CCOCCC[N@@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000309976972 528670797 /nfs/dbraw/zinc/67/07/97/528670797.db2.gz RSWDUODKDQZZRE-RBUKOAKNSA-N 2 0 302.462 2.867 20 0 DFADRP CCCC[C@@H]([NH3+])C(=O)N(C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000309790027 528834187 /nfs/dbraw/zinc/83/41/87/528834187.db2.gz OLLSASSHAXRZBE-GOSISDBHSA-N 2 0 317.477 2.627 20 0 DFADRP CC[NH+]1CCC(CC[NH2+][C@@H]2COc3ccc(OC)cc3C2)CC1 ZINC000297741368 528968896 /nfs/dbraw/zinc/96/88/96/528968896.db2.gz OAANOYAKVSRRRI-KRWDZBQOSA-N 2 0 318.461 2.710 20 0 DFADRP CCC(CC)(C[NH3+])C(=O)NCC(C)(C)[NH2+][C@@H](C)c1ccccc1 ZINC000261783902 534931104 /nfs/dbraw/zinc/93/11/04/534931104.db2.gz KGNCEUNHXJZBAO-HNNXBMFYSA-N 2 0 319.493 2.997 20 0 DFADRP CC(C)[NH+]1CCC(C(=O)N2CC[NH+](C3CCCCC3)CC2)CC1 ZINC000178203072 535143349 /nfs/dbraw/zinc/14/33/49/535143349.db2.gz XMIMDSYREHMCRL-UHFFFAOYSA-N 2 0 321.509 2.584 20 0 DFADRP CCC[NH+](CCC)CCCC(=O)N1CCC[C@H]1[C@@H]1CCC[N@@H+]1C ZINC000361272589 535321212 /nfs/dbraw/zinc/32/12/12/535321212.db2.gz QCWPJXOHIDXZDZ-ROUUACIJSA-N 2 0 323.525 2.974 20 0 DFADRP CC[NH2+]CC1CC[NH+](CC(=O)Nc2ccc(C)c(C)c2)CC1 ZINC000262346631 535458016 /nfs/dbraw/zinc/45/80/16/535458016.db2.gz UVURXSZSVRVXCE-UHFFFAOYSA-N 2 0 303.450 2.563 20 0 DFADRP CC[NH2+]CC1CC[NH+](CCC(=O)Nc2ccccc2Cl)CC1 ZINC000262101491 535458831 /nfs/dbraw/zinc/45/88/31/535458831.db2.gz IUFFYMZZNKKHAX-UHFFFAOYSA-N 2 0 323.868 2.990 20 0 DFADRP CC[N@@H+]1CCCC[C@H]1C(=O)NCC(C)(C)[NH+]1C[C@H](C)C[C@H](C)C1 ZINC000354706705 535497088 /nfs/dbraw/zinc/49/70/88/535497088.db2.gz BOIYYCSSHSSCKK-BBWFWOEESA-N 2 0 323.525 2.734 20 0 DFADRP CC[NH+](CC)[C@H](CNC(=O)[C@@H]1CCC[C@@H]1C[NH3+])c1ccccc1 ZINC000262009958 535675375 /nfs/dbraw/zinc/67/53/75/535675375.db2.gz WINZATVMULRDOI-KZNAEPCWSA-N 2 0 317.477 2.561 20 0 DFADRP CCc1cccc(C)c1NC(=O)C[N@@H+]1CCC[C@H](CC[NH3+])C1 ZINC000262025330 535862318 /nfs/dbraw/zinc/86/23/18/535862318.db2.gz YCBNCRZLQHLMFI-OAHLLOKOSA-N 2 0 303.450 2.557 20 0 DFADRP Cn1cc(C[NH2+]Cc2ccc(C[NH+](C)C)cc2)c(C(F)F)n1 ZINC000360986090 536012036 /nfs/dbraw/zinc/01/20/36/536012036.db2.gz JGHPVFKULQWJIP-UHFFFAOYSA-N 2 0 308.376 2.709 20 0 DFADRP C[NH+](C)CCOc1ccc(C[NH2+][C@@H](CO)c2ccsc2)cc1 ZINC000681134648 545601839 /nfs/dbraw/zinc/60/18/39/545601839.db2.gz KPFFLFHKMYMPSM-KRWDZBQOSA-N 2 0 320.458 2.512 20 0 DFADRP CN(Cc1ccc(OCC[NH+](C)C)cc1)CC1([NH+](C)C)CCC1 ZINC000682169800 545812947 /nfs/dbraw/zinc/81/29/47/545812947.db2.gz MYBHMRFTTVZPBZ-UHFFFAOYSA-N 2 0 319.493 2.543 20 0 DFADRP O[C@@H](C[NH+]1CCC(C[NH+]2CCCCCC2)CC1)CC(F)(F)F ZINC000682518239 545866921 /nfs/dbraw/zinc/86/69/21/545866921.db2.gz IVBAWTCTVHABFJ-OAHLLOKOSA-N 2 0 322.415 2.888 20 0 DFADRP C[C@@H]([NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)C(C)(C)O ZINC000683693027 546076892 /nfs/dbraw/zinc/07/68/92/546076892.db2.gz ZNQXFHSFUUJSIR-DDBAPUKQSA-N 2 0 302.462 2.931 20 0 DFADRP C[NH+](C)CCCCC(=O)Nc1cccc2c1OCC[C@@H]2[NH+](C)C ZINC000684090027 546149641 /nfs/dbraw/zinc/14/96/41/546149641.db2.gz XVXXKDGVUGSJSD-INIZCTEOSA-N 2 0 319.449 2.742 20 0 DFADRP C[C@H](O)C[C@H]1CCCC[N@@H+]1Cc1ccc(OCC[NH+](C)C)cc1 ZINC000684149277 546159522 /nfs/dbraw/zinc/15/95/22/546159522.db2.gz WPZAFDGKTZWLBY-FUHWJXTLSA-N 2 0 320.477 2.752 20 0 DFADRP CCc1cccc(F)c1C[NH2+]CC(C)(C)N1CC[NH+](C)CC1 ZINC000684367586 546201318 /nfs/dbraw/zinc/20/13/18/546201318.db2.gz RYAYLDRJELQJAD-UHFFFAOYSA-N 2 0 307.457 2.504 20 0 DFADRP CO[C@H]1CCC[C@@H]([NH2+]Cc2cccc(OCC[NH+](C)C)c2)C1 ZINC000684371127 546202357 /nfs/dbraw/zinc/20/23/57/546202357.db2.gz LBWZOIBMNSOPCO-SJORKVTESA-N 2 0 306.450 2.674 20 0 DFADRP CO[C@@H]1CCC[C@H]([NH2+]CCc2ccc(OCC[NH+](C)C)cc2)C1 ZINC000684375713 546204229 /nfs/dbraw/zinc/20/42/29/546204229.db2.gz AEBVRJODSGRCAZ-PKOBYXMFSA-N 2 0 320.477 2.717 20 0 DFADRP C[NH+]1CCC(N2CC[C@@H]([NH2+]Cc3ccc(C(F)F)cc3)C2)CC1 ZINC000684378924 546205003 /nfs/dbraw/zinc/20/50/03/546205003.db2.gz MHYRDLIMBVNCMO-MRXNPFEDSA-N 2 0 323.431 2.882 20 0 DFADRP CO[C@H](C)C[N@H+](C)Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000685447468 546351192 /nfs/dbraw/zinc/35/11/92/546351192.db2.gz BAPBTQURRUCSDQ-MRXNPFEDSA-N 2 0 306.450 2.628 20 0 DFADRP C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C[C@@H]2CCOc3ccccc32)C1 ZINC000685471119 546357735 /nfs/dbraw/zinc/35/77/35/546357735.db2.gz NCIFZMROXMLMNM-XYJFISCASA-N 2 0 300.446 2.969 20 0 DFADRP CN(CCC[N@H+](C)Cc1cccc2cnccc21)CC[NH+](C)C ZINC000685475835 546359373 /nfs/dbraw/zinc/35/93/73/546359373.db2.gz MQKVBUJHTIUJFD-UHFFFAOYSA-N 2 0 314.477 2.550 20 0 DFADRP COc1ccc([C@@H](C)[NH2+]CCC[N@@H+]2CCCO[C@@H](C)C2)cc1 ZINC000278626219 214284906 /nfs/dbraw/zinc/28/49/06/214284906.db2.gz RRYVIAYAOJREAW-JKSUJKDBSA-N 2 0 306.450 2.847 20 0 DFADRP C[C@H]([NH2+]CC[C@H]1CCC[N@@H+]1C)c1ccc(N2CCOC2=O)cc1 ZINC000181296636 199278336 /nfs/dbraw/zinc/27/83/36/199278336.db2.gz FVJIYMIMZZVPIQ-GOEBONIOSA-N 2 0 317.433 2.778 20 0 DFADRP CC[NH+](CC)[C@@H](C)CNC(=O)c1cccc(C[NH+]2CCCC2)c1 ZINC000066045385 398356244 /nfs/dbraw/zinc/35/62/44/398356244.db2.gz FMGGPCYOGACZSL-INIZCTEOSA-N 2 0 317.477 2.743 20 0 DFADRP C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)[C@@H]1C[C@@H]2CCCC[NH+]2C1 ZINC000081552263 398358055 /nfs/dbraw/zinc/35/80/55/398358055.db2.gz CQMXIHWODMWKFM-KURKYZTESA-N 2 0 321.509 2.632 20 0 DFADRP C[C@@H]1C[C@@H](C)C[NH+](Cc2ccccc2CNC2=[NH+]CCCN2)C1 ZINC000066243462 398364103 /nfs/dbraw/zinc/36/41/03/398364103.db2.gz JAHJEXZPTNVJPN-HZPDHXFCSA-N 2 0 314.477 2.603 20 0 DFADRP CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)CC[C@@H]([NH3+])c1ccccc1 ZINC000237078231 398367000 /nfs/dbraw/zinc/36/70/00/398367000.db2.gz WZSOJBSTCOCHFK-ZWKOTPCHSA-N 2 0 317.477 2.799 20 0 DFADRP C[NH+](C)CCOc1cccc(C[NH2+]Cc2ccc(O)cc2)c1 ZINC000237204349 398368103 /nfs/dbraw/zinc/36/81/03/398368103.db2.gz PTOGZOUEDWJIMF-UHFFFAOYSA-N 2 0 300.402 2.622 20 0 DFADRP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@@H+]2CCCCOC(C)(C)C ZINC000354729267 282215875 /nfs/dbraw/zinc/21/58/75/282215875.db2.gz ISIYFYBDEOZZNP-ZACQAIPSSA-N 2 0 312.498 2.765 20 0 DFADRP C[C@H]1C[C@H]([NH2+]CCOCC[NH+](C)C)c2ccsc2S1 ZINC000219312183 300521904 /nfs/dbraw/zinc/52/19/04/300521904.db2.gz KEWXUGRDASNXCO-AAEUAGOBSA-N 2 0 300.493 2.841 20 0 DFADRP C(C1CCCC1)[NH+]1CCC(NC2CC[NH+](C3CC3)CC2)CC1 ZINC000459386444 299093142 /nfs/dbraw/zinc/09/31/42/299093142.db2.gz HFEMEYGXWPYCST-UHFFFAOYSA-N 2 0 305.510 2.857 20 0 DFADRP C[C@@H]1CCC[C@@H](C[NH2+]Cc2ccc(N3CC[NH+](C)CC3)nc2)C1 ZINC000092560627 185325803 /nfs/dbraw/zinc/32/58/03/185325803.db2.gz CNKMVQPITUYNOP-IAGOWNOFSA-N 2 0 316.493 2.749 20 0 DFADRP C[C@H]1CCC[C@@H](C[NH2+]Cc2ccnc(N3CC[NH+](C)CC3)c2)C1 ZINC000092561597 185326057 /nfs/dbraw/zinc/32/60/57/185326057.db2.gz LVZIBKUYNOFVGA-DLBZAZTESA-N 2 0 316.493 2.749 20 0 DFADRP c1cc(N2CCC([NH2+]C3CC[NH+](CC4CC4)CC3)CC2)cc[nH+]1 ZINC000459394983 299094987 /nfs/dbraw/zinc/09/49/87/299094987.db2.gz SVDNHZAJIFCKKH-UHFFFAOYSA-N 2 0 314.477 2.514 20 0 DFADRP Cc1ccc(O)c(C[N@@H+]2CC[C@@H](CNc3cccc(C)[nH+]3)C2)n1 ZINC000092813083 185343552 /nfs/dbraw/zinc/34/35/52/185343552.db2.gz PQVLYDGFGVDPNQ-HNNXBMFYSA-N 2 0 312.417 2.733 20 0 DFADRP CCOc1cc(C[NH2+][C@@H]2CCN(C3CC3)C2)cc(Cl)c1O ZINC000459401199 299096875 /nfs/dbraw/zinc/09/68/75/299096875.db2.gz CWBIKYYNUJIJDS-GFCCVEGCSA-N 2 0 310.825 2.771 20 0 DFADRP CCC[NH+]1CCC([N@H+](C)CCC(=O)OCc2ccccc2)CC1 ZINC000181470144 199302109 /nfs/dbraw/zinc/30/21/09/199302109.db2.gz CCSRRYHSBVPCFF-UHFFFAOYSA-N 2 0 318.461 2.926 20 0 DFADRP CCc1nc(CC[NH2+]C2CCN(c3cc[nH+]cc3)CC2)cs1 ZINC000298249846 529734732 /nfs/dbraw/zinc/73/47/32/529734732.db2.gz DGEZDMQTDQIMTQ-UHFFFAOYSA-N 2 0 316.474 2.902 20 0 DFADRP CCn1c2ccccc2nc1CN1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000584735646 398405761 /nfs/dbraw/zinc/40/57/61/398405761.db2.gz CFDPJFYLTOXTIT-IBGZPJMESA-N 2 0 312.461 2.974 20 0 DFADRP CCCC[N@H+](C)CC1CC[NH+]([C@@H](C)C(=O)N[C@@H](C)CC)CC1 ZINC000066960751 398410972 /nfs/dbraw/zinc/41/09/72/398410972.db2.gz OFJVFKXFINQVBJ-HOTGVXAUSA-N 2 0 311.514 2.734 20 0 DFADRP CCCC[N@H+](C)CC1CC[NH+]([C@H](C)C(=O)N[C@@H](C)CC)CC1 ZINC000066960753 398410982 /nfs/dbraw/zinc/41/09/82/398410982.db2.gz OFJVFKXFINQVBJ-JKSUJKDBSA-N 2 0 311.514 2.734 20 0 DFADRP CC[NH+](CC)[C@@H](C(=O)N[C@@H](C)CC[NH+](C)C)c1ccccc1 ZINC000067483180 398437623 /nfs/dbraw/zinc/43/76/23/398437623.db2.gz DTIBZXWLBYGQCE-DOTOQJQBSA-N 2 0 305.466 2.526 20 0 DFADRP C[C@@H](C(=O)N(CCC[NH3+])CC1CCCC1)[C@@H]([NH3+])c1ccccc1 ZINC000357352111 295712505 /nfs/dbraw/zinc/71/25/05/295712505.db2.gz LILQGWQVGGAZPU-CRAIPNDOSA-N 2 0 317.477 2.690 20 0 DFADRP C[C@@H]1CCC[N@H+](Cc2ccc(NC(=O)[C@@H]3CC[C@H]([NH3+])C3)cc2)C1 ZINC000262672999 398433531 /nfs/dbraw/zinc/43/35/31/398433531.db2.gz PUVAGCDAACFJNK-OIISXLGYSA-N 2 0 315.461 2.984 20 0 DFADRP COC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[N@@H+]1CCCC1CC[NH2+]CC1 ZINC000592493588 398433647 /nfs/dbraw/zinc/43/36/47/398433647.db2.gz XDBHXNQFVRYGGJ-ULQDDVLXSA-N 2 0 308.466 2.572 20 0 DFADRP C[C@@H]([NH2+]CC1CCN(c2cc[nH+]cc2)CC1)C1CCOCC1 ZINC000089215628 398444038 /nfs/dbraw/zinc/44/40/38/398444038.db2.gz YGNCVCNYKDRVND-OAHLLOKOSA-N 2 0 303.450 2.703 20 0 DFADRP C[C@@H](C(=O)N1CCCC2(CC[NH+](C)CC2)C1)[NH+]1CCCCCC1 ZINC000374100306 295719259 /nfs/dbraw/zinc/71/92/59/295719259.db2.gz DILMNIPNHNXOBT-KRWDZBQOSA-N 2 0 321.509 2.585 20 0 DFADRP CC(C)[NH+]1CCC(O)(C[NH2+]CCc2ccc(Cl)cc2)CC1 ZINC000459450875 299109781 /nfs/dbraw/zinc/10/97/81/299109781.db2.gz YSZKHAFWXJCPIK-UHFFFAOYSA-N 2 0 310.869 2.707 20 0 DFADRP C[N@@H+]1CCC[C@H]1C(=O)Nc1cccc(C[NH+]2CCCCC2)c1 ZINC000299598069 530062776 /nfs/dbraw/zinc/06/27/76/530062776.db2.gz XHLVRFOVKNNLEL-KRWDZBQOSA-N 2 0 301.434 2.705 20 0 DFADRP C[N@@H+]1CC[C@H]([NH2+]CCCCC(=O)OC(C)(C)C)[C@@H]2CCC[C@H]21 ZINC000586791443 398460215 /nfs/dbraw/zinc/46/02/15/398460215.db2.gz CNPBVBYWEWYDPS-HRCADAONSA-N 2 0 310.482 2.961 20 0 DFADRP C[C@H]1C[N@H+](C)CC[C@@H]1[NH2+]CCCOc1cccc2cccnc21 ZINC000089627552 398460395 /nfs/dbraw/zinc/46/03/95/398460395.db2.gz MWBVWRVUDYHBHM-RDJZCZTQSA-N 2 0 313.445 2.934 20 0 DFADRP CCO[C@@H]1C[C@H]([NH2+]CC2(C[NH+](C)C)CCCC2)[C@H]1SC ZINC000459476266 299116019 /nfs/dbraw/zinc/11/60/19/299116019.db2.gz HKJYQMOWUPRFLG-RRFJBIMHSA-N 2 0 300.512 2.607 20 0 DFADRP C[C@@H]1CC[C@@H](C[NH+]2CCN(c3cc[nH+]c4ccccc43)CC2)O1 ZINC000459487095 299119484 /nfs/dbraw/zinc/11/94/84/299119484.db2.gz UHVIZXCOBUGRBA-CVEARBPZSA-N 2 0 311.429 2.924 20 0 DFADRP c1ccc2c(c1)[nH+]ccc2N1CC[NH+](CCOC2CCC2)CC1 ZINC000459487929 299119516 /nfs/dbraw/zinc/11/95/16/299119516.db2.gz UZFHSRBPVOBJLP-UHFFFAOYSA-N 2 0 311.429 2.926 20 0 DFADRP CO[C@@H](CC[NH2+]C1CCN(c2cc[nH+]cc2)CC1)C(F)(F)F ZINC000459495342 299120596 /nfs/dbraw/zinc/12/05/96/299120596.db2.gz LVGNGGFWSJMMMF-AWEZNQCLSA-N 2 0 317.355 2.607 20 0 DFADRP C[C@H]1C[N@H+](C)CC[C@@H]1[NH2+]CCOc1ncc(Cl)cc1Cl ZINC000090450564 398486345 /nfs/dbraw/zinc/48/63/45/398486345.db2.gz GLVNJPFCUIWIQX-GWCFXTLKSA-N 2 0 318.248 2.697 20 0 DFADRP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]CCOc1ncc(Cl)cc1Cl ZINC000090450563 398486617 /nfs/dbraw/zinc/48/66/17/398486617.db2.gz GLVNJPFCUIWIQX-MFKMUULPSA-N 2 0 318.248 2.697 20 0 DFADRP C[C@H](CC[NH2+]C1CC[NH+](C2CCCCC2)CC1)[S@@](C)=O ZINC000090516812 398488131 /nfs/dbraw/zinc/48/81/31/398488131.db2.gz JDZPIRQODXPLQT-VLIAUNLRSA-N 2 0 300.512 2.530 20 0 DFADRP CCOc1cc(C[N@@H+]2CCCC23CC[NH+](C)CC3)ccc1O ZINC000459521466 299124359 /nfs/dbraw/zinc/12/43/59/299124359.db2.gz TZXYJJGGXWXAKL-UHFFFAOYSA-N 2 0 304.434 2.851 20 0 DFADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1[NH2+]Cc1cccc(-c2cnn(C)c2)c1 ZINC000090920331 398496728 /nfs/dbraw/zinc/49/67/28/398496728.db2.gz YPFZWLHXZBSCED-ZRGWGRIASA-N 2 0 312.461 2.905 20 0 DFADRP C[C@H](CCO)C[NH2+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000272691510 210097823 /nfs/dbraw/zinc/09/78/23/210097823.db2.gz POABDWRNGIPBCB-RSPOEFSDSA-N 2 0 316.489 2.895 20 0 DFADRP CC(C)[NH2+][C@H]1CCCN(C(=O)Nc2cccc(C[NH+](C)C)c2)C1 ZINC000588773414 398507000 /nfs/dbraw/zinc/50/70/00/398507000.db2.gz MWWJPROXHHGVKX-KRWDZBQOSA-N 2 0 318.465 2.743 20 0 DFADRP C[C@]1(C[NH2+]C2CCN(c3cc[nH+]cc3)CC2)CCO[C@H]1C1CC1 ZINC000459540944 299129041 /nfs/dbraw/zinc/12/90/41/299129041.db2.gz VSKJDHLSTZBGBS-RBUKOAKNSA-N 2 0 315.461 2.845 20 0 DFADRP c1ccc(N2CCC([NH2+]CCC[NH+]3CCCCC3)CC2)nc1 ZINC000236586508 201929093 /nfs/dbraw/zinc/92/90/93/201929093.db2.gz PPHRVAZCGXBHPP-UHFFFAOYSA-N 2 0 302.466 2.516 20 0 DFADRP C[C@H](NC[C@H]1CCC[N@@H+]1C)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000272674584 210078824 /nfs/dbraw/zinc/07/88/24/210078824.db2.gz QOFXJAMPHBLNSU-QXAKKESOSA-N 2 0 301.478 2.581 20 0 DFADRP CC[NH+](CC)CCN(CC(C)C)C(=O)CC[C@@H]1CCC[NH2+]C1 ZINC000314851427 398521862 /nfs/dbraw/zinc/52/18/62/398521862.db2.gz UGWOXTFSCWIYDU-KRWDZBQOSA-N 2 0 311.514 2.593 20 0 DFADRP CC(C)[C@@H]([NH2+]C[C@H](C(C)C)N1CC[NH+](C)CC1)c1cccnc1 ZINC000091283356 398524850 /nfs/dbraw/zinc/52/48/50/398524850.db2.gz RFLKPKBLVGXNSU-RTBURBONSA-N 2 0 318.509 2.640 20 0 DFADRP COc1ccc(C[C@@H](C)[NH2+]Cc2cccc(C[NH+](C)C)c2)cn1 ZINC000414074011 295764153 /nfs/dbraw/zinc/76/41/53/295764153.db2.gz WLJBPJCUDZVOAP-OAHLLOKOSA-N 2 0 313.445 2.873 20 0 DFADRP C[C@@]1(C(=O)Nc2ccc(C[NH+]3CCCC3)cc2)CCCC[NH2+]1 ZINC000317388421 398535430 /nfs/dbraw/zinc/53/54/30/398535430.db2.gz GJWWOSVBDOIIMY-SFHVURJKSA-N 2 0 301.434 2.753 20 0 DFADRP CCO[C@@H]1C[C@@H]([NH2+]CCCCC[NH+]2CCCC2)[C@H]1SC ZINC000459585356 299140984 /nfs/dbraw/zinc/14/09/84/299140984.db2.gz IAFHYRQVJSCQTM-BZUAXINKSA-N 2 0 300.512 2.751 20 0 DFADRP C[C@@H](c1cccnc1)[NH+]1CCC(C[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000069016929 398543453 /nfs/dbraw/zinc/54/34/53/398543453.db2.gz NMMKCLCTTASKLD-ZACQAIPSSA-N 2 0 317.477 2.964 20 0 DFADRP Cc1cc(C)c([C@@H](C)[N@@H+]2CC[C@H](N3CC[NH2+]CC3)C2)c(C)c1 ZINC000319780806 398543591 /nfs/dbraw/zinc/54/35/91/398543591.db2.gz ZHDPRTKKSFVXTD-MSOLQXFVSA-N 2 0 301.478 2.652 20 0 DFADRP Cc1cc(C)c([C@H](C)[N@@H+]2CC[C@@H](N3CC[NH2+]CC3)C2)c(C)c1 ZINC000319780814 398543903 /nfs/dbraw/zinc/54/39/03/398543903.db2.gz ZHDPRTKKSFVXTD-ZWKOTPCHSA-N 2 0 301.478 2.652 20 0 DFADRP CCc1ncc(C[NH2+]Cc2ccc(C[NH+]3CCCC3)cc2)cn1 ZINC000414264559 295782376 /nfs/dbraw/zinc/78/23/76/295782376.db2.gz QIQRPASJSCFPLP-UHFFFAOYSA-N 2 0 310.445 2.925 20 0 DFADRP CC(C)[N@H+](C)CC1CCN(C(=O)[C@@H]([NH3+])CC2CCCCC2)CC1 ZINC000323689595 398560430 /nfs/dbraw/zinc/56/04/30/398560430.db2.gz RFFWHRXCSQLCHE-SFHVURJKSA-N 2 0 323.525 2.863 20 0 DFADRP C[NH+](C)C[C@H]1CC[N@H+](C[C@H](O)Cc2ccc3ccccc3c2)C1 ZINC000279818763 215171515 /nfs/dbraw/zinc/17/15/15/215171515.db2.gz YAXQGVRYVLYOOP-YLJYHZDGSA-N 2 0 312.457 2.627 20 0 DFADRP Cc1ncc(C[NH2+][C@@H](CC(=O)OC(C)C)c2ccccc2)n1C ZINC000597133394 398573323 /nfs/dbraw/zinc/57/33/23/398573323.db2.gz TVIIEACQKPSPER-KRWDZBQOSA-N 2 0 315.417 2.901 20 0 DFADRP Cc1ccc(C[NH2+]C2CCC([NH+]3CCC(C)CC3)CC2)nn1 ZINC000414362596 295792747 /nfs/dbraw/zinc/79/27/47/295792747.db2.gz FIWWLMGFYUEMGR-UHFFFAOYSA-N 2 0 302.466 2.918 20 0 DFADRP COC(=O)[C@H]1C[C@@H]([NH2+]C2CC[NH+]([C@H]3CCC[C@@H](C)C3)CC2)C1 ZINC000597220666 398594947 /nfs/dbraw/zinc/59/49/47/398594947.db2.gz ISSOCLFSIAUAGM-JHNDHUHGSA-N 2 0 308.466 2.571 20 0 DFADRP CCOC(=O)[C@@H]1CC[C@@H]([NH2+]CCC2(C[NH3+])CC2)c2ccccc21 ZINC000593318202 398597667 /nfs/dbraw/zinc/59/76/67/398597667.db2.gz BAQQGSWACDNMQG-IAGOWNOFSA-N 2 0 316.445 2.887 20 0 DFADRP C[C@H]([NH2+]CCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccc(F)cn1 ZINC000092742006 398598080 /nfs/dbraw/zinc/59/80/80/398598080.db2.gz DLOLXAWMSMEJRA-ZNMIVQPWSA-N 2 0 309.429 2.761 20 0 DFADRP COC(=O)[C@H]1C[C@H]([NH2+]C2CC[NH+]([C@@H]3CCC[C@H](C)C3)CC2)C1 ZINC000597241871 398603852 /nfs/dbraw/zinc/60/38/52/398603852.db2.gz ISSOCLFSIAUAGM-NXNVCVFFSA-N 2 0 308.466 2.571 20 0 DFADRP COC(=O)[C@H]1C[C@H]([NH2+]C2CC[NH+]([C@H]3CCC[C@H](C)C3)CC2)C1 ZINC000597241872 398603959 /nfs/dbraw/zinc/60/39/59/398603959.db2.gz ISSOCLFSIAUAGM-OTRWWLKZSA-N 2 0 308.466 2.571 20 0 DFADRP CC(C)(c1nc(C2([NH3+])CCCC2)no1)[C@H]([NH3+])c1ccccc1 ZINC000414632283 295809375 /nfs/dbraw/zinc/80/93/75/295809375.db2.gz ZZBUAKCEPQSBKS-CYBMUJFWSA-N 2 0 300.406 2.775 20 0 DFADRP CSC[C@H]1CCC[N@@H+]1Cc1ccc(OCC[NH+](C)C)cc1 ZINC000093760721 398643144 /nfs/dbraw/zinc/64/31/44/398643144.db2.gz SNOMAWCZZXMEKO-MRXNPFEDSA-N 2 0 308.491 2.954 20 0 DFADRP C[NH+]1CCC(O)(C[NH2+][C@@H]2C[C@@H](c3ccccc3)C2(C)C)CC1 ZINC000274256835 282712998 /nfs/dbraw/zinc/71/29/98/282712998.db2.gz JGFHFELEDRWTMB-DLBZAZTESA-N 2 0 302.462 2.615 20 0 DFADRP C[NH+](C)CCOc1ccc(C[NH2+]CC2(CCO)CCCC2)cc1 ZINC000072925731 398648676 /nfs/dbraw/zinc/64/86/76/398648676.db2.gz MKOKZLXMMROIEB-UHFFFAOYSA-N 2 0 320.477 2.659 20 0 DFADRP C[C@H](C(=O)NCCC[N@@H+]1CCCC[C@@H]1C)[C@@H]([NH3+])c1ccccc1 ZINC000237504138 186298649 /nfs/dbraw/zinc/29/86/49/186298649.db2.gz SOILJWYCTHNAEN-XYJFISCASA-N 2 0 317.477 2.703 20 0 DFADRP C[C@@H]1C[C@H](C[NH+]2CCC(C(=O)c3ccccc3)CC2)CC[NH2+]1 ZINC000414683500 295815733 /nfs/dbraw/zinc/81/57/33/295815733.db2.gz TZSZDOUTXYKEQT-HZPDHXFCSA-N 2 0 300.446 2.969 20 0 DFADRP C[N@@H+]1CCC[C@H](CC[NH2+]Cc2c[nH]nc2-c2cccs2)C1 ZINC000459723044 299172433 /nfs/dbraw/zinc/17/24/33/299172433.db2.gz CJSQGKNCLKSVDR-CYBMUJFWSA-N 2 0 304.463 2.960 20 0 DFADRP C[C@H](CC(=O)Nc1ccc(F)cc1)[NH2+]CC[C@H]1CCC[N@H+](C)C1 ZINC000459726055 299173900 /nfs/dbraw/zinc/17/39/00/299173900.db2.gz GBLFDDMFNAQAEL-HUUCEWRRSA-N 2 0 321.440 2.864 20 0 DFADRP COc1cc(OC)c(C[NH2+]CC[C@@H]2CCC[N@H+](C)C2)c(OC)c1 ZINC000459726066 299174063 /nfs/dbraw/zinc/17/40/63/299174063.db2.gz GDMNSBQDQCYKPE-AWEZNQCLSA-N 2 0 322.449 2.534 20 0 DFADRP CCOc1ccc(C[NH2+]CC[C@H]2CCC[N@H+](C)C2)cc1OC ZINC000459728608 299174842 /nfs/dbraw/zinc/17/48/42/299174842.db2.gz ILSPKPQEIYLBDA-OAHLLOKOSA-N 2 0 306.450 2.915 20 0 DFADRP C[C@@H]1C[C@H](C[NH+]2CCC(CO)(Cc3ccccc3)CC2)CC[NH2+]1 ZINC000414763927 295819693 /nfs/dbraw/zinc/81/96/93/295819693.db2.gz YHAYNLSMHBVPMT-IEBWSBKVSA-N 2 0 316.489 2.692 20 0 DFADRP COc1cc(OC)c(OC)cc1C[NH2+]CC[C@H]1CCC[N@H+](C)C1 ZINC000459735003 299176689 /nfs/dbraw/zinc/17/66/89/299176689.db2.gz PGZZMZJMUNHSMO-CQSZACIVSA-N 2 0 322.449 2.534 20 0 DFADRP COc1ccc(-c2ccncc2)cc1C[NH2+]CC[C@H]1CC[NH2+]C1 ZINC000414825532 295822494 /nfs/dbraw/zinc/82/24/94/295822494.db2.gz CMISQFFEMKAJGD-OAHLLOKOSA-N 2 0 311.429 2.846 20 0 DFADRP Cc1ccccc1NC(=O)C[C@H](C)[NH2+]CC[C@@H]1CCC[NH2+]C1 ZINC000414829461 295823382 /nfs/dbraw/zinc/82/33/82/295823382.db2.gz AYTUXEXGRCJGPT-HOTGVXAUSA-N 2 0 303.450 2.691 20 0 DFADRP CCOc1cc(C[NH2+]C[C@H]2CCC[NH2+]C2)cc(Cl)c1OC ZINC000414830545 295823386 /nfs/dbraw/zinc/82/33/86/295823386.db2.gz ORZCZXCWNQODLJ-LBPRGKRZSA-N 2 0 312.841 2.837 20 0 DFADRP [NH3+][C@H](CNC1CC[NH+](CCC(F)(F)F)CC1)c1ccccc1 ZINC000414827843 295822923 /nfs/dbraw/zinc/82/29/23/295822923.db2.gz HYGYRMAFGBBNRO-OAHLLOKOSA-N 2 0 315.383 2.693 20 0 DFADRP Cc1ccc(NC(=O)C[C@H](C)[NH2+]CC[C@H]2CC[NH2+]C2)cc1Cl ZINC000414833249 295823837 /nfs/dbraw/zinc/82/38/37/295823837.db2.gz POGMMKWTOKJAJK-UONOGXRCSA-N 2 0 323.868 2.955 20 0 DFADRP COC(=O)c1ccc(Cl)c(C[NH2+]CC[C@@H]2CCC[NH2+]C2)c1 ZINC000414835897 295824154 /nfs/dbraw/zinc/82/41/54/295824154.db2.gz IRVPNQUPCNPGER-LBPRGKRZSA-N 2 0 310.825 2.606 20 0 DFADRP Fc1cc(C[NH2+]CC[C@H]2CCC[NH2+]C2)ccc1OC(F)F ZINC000414844415 295825248 /nfs/dbraw/zinc/82/52/48/295825248.db2.gz REOLZNVOZYEOGJ-LLVKDONJSA-N 2 0 302.340 2.906 20 0 DFADRP c1nc(-c2ccccn2)sc1C[NH2+]CC[C@H]1CCC[NH2+]C1 ZINC000414843826 295825249 /nfs/dbraw/zinc/82/52/49/295825249.db2.gz CYUHUZZXGPWHAU-CYBMUJFWSA-N 2 0 302.447 2.684 20 0 DFADRP c1cnc(Oc2ccc(C[NH2+]CC[C@H]3CCC[NH2+]C3)cc2)cn1 ZINC000414846443 295825612 /nfs/dbraw/zinc/82/56/12/295825612.db2.gz HLQFDYFHRASDJC-OAHLLOKOSA-N 2 0 312.417 2.748 20 0 DFADRP COc1ccc(C[NH2+][C@H](C)[C@H]2CCC[NH2+]C2)cc1OC(F)F ZINC000414846905 295825653 /nfs/dbraw/zinc/82/56/53/295825653.db2.gz FJIXVXPUHSARFT-YPMHNXCESA-N 2 0 314.376 2.774 20 0 DFADRP COc1ccc(OC(F)F)c(C[NH2+]CC[C@H]2CCC[NH2+]C2)c1 ZINC000414851212 295826008 /nfs/dbraw/zinc/82/60/08/295826008.db2.gz NUAYVTZGJZRDCT-GFCCVEGCSA-N 2 0 314.376 2.776 20 0 DFADRP Cc1nn(-c2ccccc2)c(C)c1C[NH2+]CC[C@@H]1CCC[NH2+]C1 ZINC000414850893 295826149 /nfs/dbraw/zinc/82/61/49/295826149.db2.gz NMUKWDXFBHMBBM-KRWDZBQOSA-N 2 0 312.461 2.968 20 0 DFADRP C[C@@H](Cc1ccc(Br)cc1)[NH2+]CC[C@@H]1CC[NH2+]C1 ZINC000414856682 295826847 /nfs/dbraw/zinc/82/68/47/295826847.db2.gz YXWIVFVOJRSDOV-JSGCOSHPSA-N 2 0 311.267 2.969 20 0 DFADRP C[C@@H]([NH2+]Cc1cnc(-c2ccncc2)s1)[C@@H]1CCC[NH2+]C1 ZINC000414858539 295827009 /nfs/dbraw/zinc/82/70/09/295827009.db2.gz RXCNJZGKXGTJCG-TZMCWYRMSA-N 2 0 302.447 2.683 20 0 DFADRP CN(C[C@H]1CCC[N@H+](C)C1)C(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000172047212 198030525 /nfs/dbraw/zinc/03/05/25/198030525.db2.gz HJLNSHYUFDRZMP-INIZCTEOSA-N 2 0 318.465 2.554 20 0 DFADRP CN(c1ccccc1)c1ccc(C[NH2+]C[C@@H]2CCC[NH2+]C2)cn1 ZINC000414859648 295827499 /nfs/dbraw/zinc/82/74/99/295827499.db2.gz UQHIWYGIRDHORR-MRXNPFEDSA-N 2 0 310.445 2.939 20 0 DFADRP CCc1ccccc1NC(=O)C[C@H](C)[NH2+][C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000414862415 295827790 /nfs/dbraw/zinc/82/77/90/295827790.db2.gz XOUPBYYPYSWFAA-YQQAZPJKSA-N 2 0 317.477 2.944 20 0 DFADRP C[C@H](O)C[NH+]1CCC(C[N@H+](C)Cc2ccc3c(c2)CCC3)CC1 ZINC000172290010 198071702 /nfs/dbraw/zinc/07/17/02/198071702.db2.gz WATGKRWEZDXSNE-INIZCTEOSA-N 2 0 316.489 2.700 20 0 DFADRP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)Cc2ccc3c(c2)CCC3)CC1 ZINC000172290013 198071705 /nfs/dbraw/zinc/07/17/05/198071705.db2.gz WATGKRWEZDXSNE-MRXNPFEDSA-N 2 0 316.489 2.700 20 0 DFADRP Cc1nc(COc2ccc(C[NH2+][C@@H](C)CC[NH3+])cc2)cs1 ZINC000414898869 295832064 /nfs/dbraw/zinc/83/20/64/295832064.db2.gz UEXSHQITGPYVKA-LBPRGKRZSA-N 2 0 305.447 2.857 20 0 DFADRP CC[C@@H](Cc1ccc(OC)c(OC)c1)[NH2+]CC[C@H]1CCC[NH2+]1 ZINC000414901709 295832490 /nfs/dbraw/zinc/83/24/90/295832490.db2.gz GOIIYGIRZXMNTF-JKSUJKDBSA-N 2 0 306.450 2.757 20 0 DFADRP [NH3+]CCCC[NH2+]Cc1cn(C2CCCC2)nc1-c1ccccn1 ZINC000414897731 295831822 /nfs/dbraw/zinc/83/18/22/295831822.db2.gz CKKUGBUCPHZZJO-UHFFFAOYSA-N 2 0 313.449 2.889 20 0 DFADRP [NH3+]CCCC[NH2+]Cc1c[nH]nc1-c1ccc(C(F)(F)F)cc1 ZINC000414898775 295831911 /nfs/dbraw/zinc/83/19/11/295831911.db2.gz DZXKTIVIZFJMES-UHFFFAOYSA-N 2 0 312.339 2.924 20 0 DFADRP CC[N@H+](CCC[NH2+]C1CC(CC(=O)OC)C1)C1CCCCC1 ZINC000593660934 398667096 /nfs/dbraw/zinc/66/70/96/398667096.db2.gz RXJKRHNKXQHIKA-UHFFFAOYSA-N 2 0 310.482 2.962 20 0 DFADRP C[C@@H]1C[C@H]([NH2+]CC2CCN(c3ccccc3)CC2)CC[N@@H+]1C ZINC000280113135 215385198 /nfs/dbraw/zinc/38/51/98/215385198.db2.gz NSOPOFVARHSZHO-SJLPKXTDSA-N 2 0 301.478 2.975 20 0 DFADRP Cc1cc([C@@H](C)[NH2+]C[C@@H](C)CN2CC[NH+](C)CC2)cc(C)c1F ZINC000121084228 282801132 /nfs/dbraw/zinc/80/11/32/282801132.db2.gz VSWKLZYAJVSMMX-RHSMWYFYSA-N 2 0 321.484 2.977 20 0 DFADRP C[C@H]1C[C@H]([NH2+]Cc2ccc(OCC(F)(F)F)cc2)CC[NH2+]1 ZINC000414944051 295838505 /nfs/dbraw/zinc/83/85/05/295838505.db2.gz GFNYWKROKJIZOY-WCQYABFASA-N 2 0 302.340 2.858 20 0 DFADRP C[C@H]1C[NH2+]CC[C@@H]1[NH2+]Cc1cccc(OCc2ccccn2)c1 ZINC000414951595 295839459 /nfs/dbraw/zinc/83/94/59/295839459.db2.gz HOXBRTIOGUGRMB-KXBFYZLASA-N 2 0 311.429 2.748 20 0 DFADRP COc1ccc(C[C@@H](C)[NH2+]CCC[C@@H]2CCC[NH2+]2)cc1OC ZINC000414961603 295841201 /nfs/dbraw/zinc/84/12/01/295841201.db2.gz IVSDEQDLPTVBBC-GDBMZVCRSA-N 2 0 306.450 2.757 20 0 DFADRP CC(C)[C@@H](C[NH2+]C1C2CC3CC(C2)CC1C3)N1CC[NH+](C)CC1 ZINC000128607089 282986120 /nfs/dbraw/zinc/98/61/20/282986120.db2.gz BWFXRPZBSXJTLN-RDOIFFKNSA-N 2 0 319.537 2.673 20 0 DFADRP C[C@@H](CC(=O)Nc1cccc(F)c1)[NH2+]CCC[C@@H]1CCC[NH2+]1 ZINC000414962296 295841673 /nfs/dbraw/zinc/84/16/73/295841673.db2.gz CERFRDUOQVLCMN-DZGCQCFKSA-N 2 0 307.413 2.665 20 0 DFADRP COc1ccc(C[NH2+][C@H]2CC[NH2+]C[C@@H]2C)cc1Br ZINC000414964999 295841763 /nfs/dbraw/zinc/84/17/63/295841763.db2.gz VHRLNMIBCJLWOU-GWCFXTLKSA-N 2 0 313.239 2.545 20 0 DFADRP CCC[C@@H](C)NC(=O)[C@H](C)[NH+]1CCC(C[N@H+](C)C(C)C)CC1 ZINC000590786276 398673755 /nfs/dbraw/zinc/67/37/55/398673755.db2.gz LZPZEZLZIONIIP-CVEARBPZSA-N 2 0 311.514 2.732 20 0 DFADRP CC(C)[C@H](C[NH2+]C1C2CC3CC(C2)CC1C3)N1CC[NH+](C)CC1 ZINC000128607300 282986316 /nfs/dbraw/zinc/98/63/16/282986316.db2.gz BWFXRPZBSXJTLN-BIKXEMDZSA-N 2 0 319.537 2.673 20 0 DFADRP CC(C)[N@H+](C)CC1CC[NH+](CC(=O)N[C@H]2CCCC[C@@H]2C)CC1 ZINC000590786494 398674154 /nfs/dbraw/zinc/67/41/54/398674154.db2.gz FAYDWMLEQCMJJO-WMZOPIPTSA-N 2 0 323.525 2.734 20 0 DFADRP Fc1ccc(-c2n[nH]cc2C[NH2+]CCC[C@H]2CCC[NH2+]2)cc1 ZINC000414982024 295843833 /nfs/dbraw/zinc/84/38/33/295843833.db2.gz YCQRTKTYMRPINX-INIZCTEOSA-N 2 0 302.397 2.838 20 0 DFADRP CCOc1ccc(C[NH2+][C@@H]2CC[NH2+]CC2(C)C)cc1OCC ZINC000414975956 295843166 /nfs/dbraw/zinc/84/31/66/295843166.db2.gz PAOSZXXZVNZSDX-QGZVFWFLSA-N 2 0 306.450 2.962 20 0 DFADRP CC(C)(C)CC(=O)N1CCC([NH2+]CCC[C@H]2CCC[NH2+]2)CC1 ZINC000414978737 295843346 /nfs/dbraw/zinc/84/33/46/295843346.db2.gz UKWQAJLTANQGOQ-OAHLLOKOSA-N 2 0 309.498 2.535 20 0 DFADRP COc1cc(C[NH2+][C@H]2CC[NH2+]CC2(C)C)ccc1OC(F)F ZINC000414979058 295843631 /nfs/dbraw/zinc/84/36/31/295843631.db2.gz UMGWVEDFCBMSSK-AWEZNQCLSA-N 2 0 314.376 2.774 20 0 DFADRP COc1ccc2nc(C[NH2+]C[C@@H]3CCC[C@H]([NH3+])C3)sc2c1 ZINC000414996800 295845232 /nfs/dbraw/zinc/84/52/32/295845232.db2.gz GRNINDFXAHATAW-NEPJUHHUSA-N 2 0 305.447 2.912 20 0 DFADRP COc1ccc(C[C@H](C)[NH2+]C[C@@H]2CCC[C@@H]([NH3+])C2)cc1OC ZINC000415003621 295846257 /nfs/dbraw/zinc/84/62/57/295846257.db2.gz NJDQPUZVBHUFKH-NUEKZKHPSA-N 2 0 306.450 2.742 20 0 DFADRP C[N@@H+]1CCC[C@@H](CC[NH2+]Cc2ncc(C(F)(F)F)s2)C1 ZINC000459783478 299191644 /nfs/dbraw/zinc/19/16/44/299191644.db2.gz NHPBAHZQHXCWBA-JTQLQIEISA-N 2 0 307.385 2.983 20 0 DFADRP CC[NH+](CC)Cc1ccc(C(=O)N2CCC[C@H]([NH2+]C(C)C)C2)o1 ZINC000590810812 398679544 /nfs/dbraw/zinc/67/95/44/398679544.db2.gz PORDUDQEKSFHSL-HNNXBMFYSA-N 2 0 321.465 2.724 20 0 DFADRP C[C@@H](CCCC[NH3+])[NH2+]Cc1cnn(Cc2ccc(F)cc2)c1 ZINC000415016890 295847613 /nfs/dbraw/zinc/84/76/13/295847613.db2.gz QMQYVHGPDRJEHI-AWEZNQCLSA-N 2 0 304.413 2.678 20 0 DFADRP Cc1ccc(C[NH2+][C@@H]2C[C@H]2C2CC[NH2+]CC2)c(-c2ccnn2C)c1 ZINC000415014323 295847419 /nfs/dbraw/zinc/84/74/19/295847419.db2.gz WQUVTSBIPPPRCD-PKOBYXMFSA-N 2 0 324.472 2.873 20 0 DFADRP [NH3+]C[C@H]1CC[C@H]([NH2+]Cc2ccccc2OCc2cccnc2)C1 ZINC000415029949 295848942 /nfs/dbraw/zinc/84/89/42/295848942.db2.gz FENYKFXETKOOIU-YJBOKZPZSA-N 2 0 311.429 2.878 20 0 DFADRP [NH3+]C[C@H]1CC[C@@H]([NH2+]Cc2ccc(F)c(Br)c2)C1 ZINC000415028075 295848610 /nfs/dbraw/zinc/84/86/10/295848610.db2.gz CDSWMUSUTOVECT-GXSJLCMTSA-N 2 0 301.203 2.805 20 0 DFADRP Cc1nn(Cc2ccccc2)c(C)c1C[NH2+][C@@H]1CC[C@H](C[NH3+])C1 ZINC000415032250 295849056 /nfs/dbraw/zinc/84/90/56/295849056.db2.gz HVTNWBSXTOGADM-ZWKOTPCHSA-N 2 0 312.461 2.765 20 0 DFADRP Cc1nn(Cc2ccccc2)c(C)c1C[NH2+][C@H]1CC[C@@H](C[NH3+])C1 ZINC000415032247 295849074 /nfs/dbraw/zinc/84/90/74/295849074.db2.gz HVTNWBSXTOGADM-MSOLQXFVSA-N 2 0 312.461 2.765 20 0 DFADRP Cc1ccccc1NC(=O)CC[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000173494691 198220711 /nfs/dbraw/zinc/22/07/11/198220711.db2.gz ZWTSSPVANFKOJH-QGZVFWFLSA-N 2 0 315.461 2.741 20 0 DFADRP c1cc(COc2ccc(C[NH2+]CCC[NH2+]C3CC3)cc2)ccn1 ZINC000415067663 295854174 /nfs/dbraw/zinc/85/41/74/295854174.db2.gz KTHNGHNQSWQBJX-UHFFFAOYSA-N 2 0 311.429 2.892 20 0 DFADRP CC(C)[C@H]([NH2+]CC1(N2CCCCC2)CC[NH+](C)CC1)C1CC1 ZINC000124772534 282871185 /nfs/dbraw/zinc/87/11/85/282871185.db2.gz BAATVSJNNAGAMW-SFHVURJKSA-N 2 0 307.526 2.961 20 0 DFADRP COc1ccc(C(C)(C)C[NH2+]C[C@@]2(C)CC[NH2+]C2)cc1OC ZINC000415078551 295855316 /nfs/dbraw/zinc/85/53/16/295855316.db2.gz IWLMIFUNGXXICO-SFHVURJKSA-N 2 0 306.450 2.571 20 0 DFADRP COc1ccc(C(C)(C)C[NH2+][C@@H](C)[C@H]2CC[NH2+]C2)cc1OC ZINC000415074673 295854758 /nfs/dbraw/zinc/85/47/58/295854758.db2.gz DCNIJZWVPGFVIY-KBPBESRZSA-N 2 0 306.450 2.569 20 0 DFADRP FC(F)(F)Oc1ccccc1CC[NH2+]C[C@H]1CCC[NH2+]C1 ZINC000415080000 295855669 /nfs/dbraw/zinc/85/56/69/295855669.db2.gz IOWUTGAAXNWNRI-LBPRGKRZSA-N 2 0 302.340 2.717 20 0 DFADRP C[C@@H]([NH2+][C@@H](C)c1cccc(N2CCCC2=O)c1)[C@@H]1CCC[NH2+]C1 ZINC000415079877 295855682 /nfs/dbraw/zinc/85/56/82/295855682.db2.gz IQVGTCNEQSWWMN-ZMSDIMECSA-N 2 0 315.461 2.852 20 0 DFADRP CC(C)CC[C@H]([NH2+]C[C@H]1CCCN(C(=O)C[NH3+])C1)C(C)(C)C ZINC000415082825 295855797 /nfs/dbraw/zinc/85/57/97/295855797.db2.gz MLNORYHBGOZRJW-CVEARBPZSA-N 2 0 311.514 2.624 20 0 DFADRP Cc1cccc([C@H](C)[NH2+]Cc2ccc(N3CC[NH+](C)CC3)nc2)c1 ZINC000173857160 198261160 /nfs/dbraw/zinc/26/11/60/198261160.db2.gz SGQXRDDBWBELGW-KRWDZBQOSA-N 2 0 324.472 2.993 20 0 DFADRP [NH3+]CC1CCC([NH2+]Cc2cc(Cl)c3c(c2)OCCO3)CC1 ZINC000415084766 295856234 /nfs/dbraw/zinc/85/62/34/295856234.db2.gz PPYMRCKMIFBZFO-UHFFFAOYSA-N 2 0 310.825 2.718 20 0 DFADRP Fc1cc(Br)cc(C[NH2+]CC2CC[NH2+]CC2)c1 ZINC000415089011 295856400 /nfs/dbraw/zinc/85/64/00/295856400.db2.gz WXMGDQGDHDMFBT-UHFFFAOYSA-N 2 0 301.203 2.677 20 0 DFADRP COc1ccc(CC[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)cc1F ZINC000415087630 295856623 /nfs/dbraw/zinc/85/66/23/295856623.db2.gz WGYMMVXCXREZLI-UAGQMJEPSA-N 2 0 306.425 2.887 20 0 DFADRP C[C@@H](CC[NH+](C)C)NC(=O)c1ccc(Nc2cc[nH+]cc2)cc1 ZINC000073643865 398692050 /nfs/dbraw/zinc/69/20/50/398692050.db2.gz IFGAXUCTBLWZOT-AWEZNQCLSA-N 2 0 312.417 2.895 20 0 DFADRP C[C@]1(C[NH2+]C2CCN(Cc3ccc(F)c(F)c3)CC2)CC[NH2+]C1 ZINC000415097742 295857619 /nfs/dbraw/zinc/85/76/19/295857619.db2.gz DIMQKMBCIRWKPP-SFHVURJKSA-N 2 0 323.431 2.518 20 0 DFADRP C[N@@H+]1CCCN(CCC[NH2+]Cc2ccc(Cl)s2)CC1 ZINC000105476644 398693358 /nfs/dbraw/zinc/69/33/58/398693358.db2.gz WGJRIRFSSPFJQS-UHFFFAOYSA-N 2 0 301.887 2.519 20 0 DFADRP COc1ccc2c(c1)OC[C@H]([NH2+][C@H](C)C[C@@H]1CCCCC[NH2+]1)C2 ZINC000415113792 295859790 /nfs/dbraw/zinc/85/97/90/295859790.db2.gz SNZVXMKDBFYDAC-HYVNUMGLSA-N 2 0 318.461 2.899 20 0 DFADRP CC[NH+](CC)C[C@H]1CC[N@H+](CCC(=O)Nc2cccc(F)c2)C1 ZINC000174206913 198306330 /nfs/dbraw/zinc/30/63/30/198306330.db2.gz AHSYPVDIGWDTTF-OAHLLOKOSA-N 2 0 321.440 2.818 20 0 DFADRP C[C@H](Cc1ccccc1Br)[NH2+][C@H](C)[C@@H]1CC[NH2+]C1 ZINC000415115314 295860096 /nfs/dbraw/zinc/86/00/96/295860096.db2.gz GXZPAHXQPDVPHB-YRGRVCCFSA-N 2 0 311.267 2.968 20 0 DFADRP Cn1cncc1C[NH2+]Cc1ccccc1C[N@H+](C)Cc1ccco1 ZINC000174452306 198336563 /nfs/dbraw/zinc/33/65/63/198336563.db2.gz GWYXKLWJZJNXMZ-UHFFFAOYSA-N 2 0 324.428 2.935 20 0 DFADRP CC[NH+](CC)[C@H](CNC(=O)C1CC[NH+](C)CC1)c1ccccc1 ZINC000174520161 198345596 /nfs/dbraw/zinc/34/55/96/198345596.db2.gz LNIWMWYABVOBAC-GOSISDBHSA-N 2 0 317.477 2.528 20 0 DFADRP C[C@@H]([NH2+]Cc1ccc(OCCC[NH+](C)C)cc1)[C@@H]1CCOC1 ZINC000174540620 198350216 /nfs/dbraw/zinc/35/02/16/198350216.db2.gz MNDKWQMLLLWROB-NVXWUHKLSA-N 2 0 306.450 2.532 20 0 DFADRP CCOc1cccc(C[NH+]2CCC([C@@H]3C[C@H]([NH3+])CCO3)CC2)c1 ZINC000415130290 295862569 /nfs/dbraw/zinc/86/25/69/295862569.db2.gz WSYMAXJYULTCAQ-MJGOQNOKSA-N 2 0 318.461 2.804 20 0 DFADRP C[C@H]([NH3+])[C@H](C)C(=O)NCc1ccc(C[N@@H+]2CCCC[C@H]2C)cc1 ZINC000277063012 213272210 /nfs/dbraw/zinc/27/22/10/213272210.db2.gz NNCQHWGDLKABTA-PMPSAXMXSA-N 2 0 317.477 2.661 20 0 DFADRP CC(C)[C@H]([NH3+])C(=O)NCc1cccc(C[NH+]2CCC(C)CC2)c1 ZINC000236769960 202000551 /nfs/dbraw/zinc/00/05/51/202000551.db2.gz TUXFLJLMHBHLHQ-SFHVURJKSA-N 2 0 317.477 2.518 20 0 DFADRP CC[NH+]1CCN(CCC[NH2+][C@@H]2CCC[C@H](C(F)(F)F)C2)CC1 ZINC000129276710 283008977 /nfs/dbraw/zinc/00/89/77/283008977.db2.gz HLSUTNSRUDRCHA-LSDHHAIUSA-N 2 0 321.431 2.725 20 0 DFADRP FC(F)(F)[C@H]1CCC[C@@H]([NH2+]CCCC[NH+]2CCOCC2)C1 ZINC000129308493 283010074 /nfs/dbraw/zinc/01/00/74/283010074.db2.gz SYRDXQJIBLLAAG-UONOGXRCSA-N 2 0 308.388 2.810 20 0 DFADRP C[C@H](C[NH2+][C@H]1CCC[C@H](C(F)(F)F)C1)CN1CC[NH+](C)CC1 ZINC000129713672 283026017 /nfs/dbraw/zinc/02/60/17/283026017.db2.gz WPHVRJXZBSCXKE-ILXRZTDVSA-N 2 0 321.431 2.581 20 0 DFADRP CC[NH+](CC)CCNC(=O)c1oc2ccccc2c1C[NH+](C)C ZINC000074164432 398728069 /nfs/dbraw/zinc/72/80/69/398728069.db2.gz KOWGKERHTCZJPB-UHFFFAOYSA-N 2 0 317.433 2.566 20 0 DFADRP CN1CC[NH+](CCCC[NH2+][C@H]2CC[C@H](c3ccccc3)C2)CC1 ZINC000130483015 283050538 /nfs/dbraw/zinc/05/05/38/283050538.db2.gz VOPKHNONRSGRSD-PMACEKPBSA-N 2 0 315.505 2.940 20 0 DFADRP OCC[NH+]1CCC(C[NH2+][C@H]2CC[C@H](c3ccccc3)C2)CC1 ZINC000131281421 283078314 /nfs/dbraw/zinc/07/83/14/283078314.db2.gz KHTHLFFVSVBBBP-OALUTQOASA-N 2 0 302.462 2.617 20 0 DFADRP C[NH2+]Cc1ccccc1NC(=O)NCCC[NH+]1CCC(C)CC1 ZINC000415896216 295899281 /nfs/dbraw/zinc/89/92/81/295899281.db2.gz CZJDBKUZGFBOQV-UHFFFAOYSA-N 2 0 318.465 2.650 20 0 DFADRP C[NH2+]Cc1cccc(NC(=O)NCCC[NH+]2CCC(C)CC2)c1 ZINC000415925950 295902861 /nfs/dbraw/zinc/90/28/61/295902861.db2.gz BVFXLFOBIAXHDA-UHFFFAOYSA-N 2 0 318.465 2.650 20 0 DFADRP CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@@H]2CC[NH2+]C3(CCC3)C2)C[C@H]1C ZINC000591282625 398745356 /nfs/dbraw/zinc/74/53/56/398745356.db2.gz HUUABTLMQYOZSP-QKPAOTATSA-N 2 0 308.466 2.619 20 0 DFADRP C[C@H](C[NH+]1CCCCCC1)NC(=O)Nc1ccc(C[NH3+])cc1 ZINC000415944825 295905260 /nfs/dbraw/zinc/90/52/60/295905260.db2.gz AXCSWIRBSIGORH-CQSZACIVSA-N 2 0 304.438 2.531 20 0 DFADRP CC(C)(CNC(=O)Nc1ccc(C[NH3+])cc1)[NH+]1CCCCC1 ZINC000415958598 295906349 /nfs/dbraw/zinc/90/63/49/295906349.db2.gz OAHTWCPEIKEJKU-UHFFFAOYSA-N 2 0 304.438 2.531 20 0 DFADRP CCCN(CC[NH+]1CCCC1)C(=O)Nc1ccc(C[NH2+]C)cc1 ZINC000415981448 295908318 /nfs/dbraw/zinc/90/83/18/295908318.db2.gz JEGKWQBMNKBPKL-UHFFFAOYSA-N 2 0 318.465 2.746 20 0 DFADRP CN(Cc1ccccc1)C[C@@H](O)C[N@@H+]1CCC[C@H]1C(C)(C)C ZINC000591472598 398765220 /nfs/dbraw/zinc/76/52/20/398765220.db2.gz ONLBRDRMMXUAGY-MSOLQXFVSA-N 2 0 304.478 2.990 20 0 DFADRP C[C@H]([NH2+][C@@H](C)C1CC[NH+](C)CC1)[C@H](c1ccccc1)N(C)C ZINC000681138227 545602783 /nfs/dbraw/zinc/60/27/83/545602783.db2.gz FXLVBNUQEWGFRT-TXPKVOOTSA-N 2 0 303.494 2.998 20 0 DFADRP CC(C)c1ncc(C[NH+]2CCC(C[NH+]3CCOCC3)CC2)s1 ZINC000134066889 283172316 /nfs/dbraw/zinc/17/23/16/283172316.db2.gz BUVSTYZMQJMJCE-UHFFFAOYSA-N 2 0 323.506 2.811 20 0 DFADRP CCC[N@H+](C)C[C@H]1CC[NH+](CCC(=O)Nc2ccccc2F)C1 ZINC000081569798 192294047 /nfs/dbraw/zinc/29/40/47/192294047.db2.gz OZEPVRSIUAYHIY-OAHLLOKOSA-N 2 0 321.440 2.818 20 0 DFADRP C[C@H]1C[NH+](CCCC[NH2+]Cc2cnc(C3CC3)s2)C[C@H](C)O1 ZINC000134251495 283178661 /nfs/dbraw/zinc/17/86/61/283178661.db2.gz OMAKULVALHFKNE-KBPBESRZSA-N 2 0 323.506 3.000 20 0 DFADRP CC[NH+](CC)CCC[C@H](C)NC(=O)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000236858124 202040795 /nfs/dbraw/zinc/04/07/95/202040795.db2.gz LEDMKMQFFUEFOZ-XYTVBORESA-N 2 0 309.498 2.534 20 0 DFADRP CC[N@H+](C)Cc1cccc(CNC(=O)C(CC)(CC)C[NH3+])c1 ZINC000236875385 202047861 /nfs/dbraw/zinc/04/78/61/202047861.db2.gz IRZPLUIITAJXST-UHFFFAOYSA-N 2 0 305.466 2.520 20 0 DFADRP CCCC[C@H](C[NH3+])NC(=O)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000236909145 202065129 /nfs/dbraw/zinc/06/51/29/202065129.db2.gz TYJYYWUXKPIYHU-QZTJIDSGSA-N 2 0 317.477 2.532 20 0 DFADRP CCC[C@@H]([NH3+])C(=O)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000236935710 202079978 /nfs/dbraw/zinc/07/99/78/202079978.db2.gz WTNYLXCLARQXLY-MRXNPFEDSA-N 2 0 323.868 2.548 20 0 DFADRP CC[C@@H](C)[C@H]([NH3+])C(=O)NCc1cccc(C[NH+](CC)CC)c1 ZINC000236947441 202086343 /nfs/dbraw/zinc/08/63/43/202086343.db2.gz ZQYPNMLDCGTSTH-PBHICJAKSA-N 2 0 305.466 2.518 20 0 DFADRP CC[NH+](CC)Cc1ccc(CNC(=O)[C@@]2(C)CCC[NH2+]C2)cc1 ZINC000236918389 202070536 /nfs/dbraw/zinc/07/05/36/202070536.db2.gz HZWMQEUSPBHEMN-IBGZPJMESA-N 2 0 317.477 2.534 20 0 DFADRP CC[NH+](CC)Cc1cccc(CNC(=O)[C@@H]2CCC[C@@H]([NH3+])C2)c1 ZINC000236923180 202073857 /nfs/dbraw/zinc/07/38/57/202073857.db2.gz BIMNGWFMKQHSBQ-QZTJIDSGSA-N 2 0 317.477 2.662 20 0 DFADRP C[N@@H+]1CCC[C@@H](C[NH2+][C@@H]2CCCN(Cc3ccccc3)C2)C1 ZINC000121214027 398786867 /nfs/dbraw/zinc/78/68/67/398786867.db2.gz TWVQPOLSKWOSBW-RBUKOAKNSA-N 2 0 301.478 2.582 20 0 DFADRP CC[C@H](C)[C@H]([NH3+])C(=O)N1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000237000785 202116070 /nfs/dbraw/zinc/11/60/70/202116070.db2.gz QRLOKGSBZVYCIA-BQFCYCMXSA-N 2 0 323.525 2.863 20 0 DFADRP Cc1ccc(NC(=O)CCC2CC[NH2+]CC2)c(C[NH+](C)C)c1 ZINC000237036429 202129791 /nfs/dbraw/zinc/12/97/91/202129791.db2.gz VSTIMQJQQZPGJA-UHFFFAOYSA-N 2 0 303.450 2.775 20 0 DFADRP CC[C@H](C)[C@H]([NH3+])C(=O)NCC1([NH+]2CCCCC2)CCCCC1 ZINC000237023890 202125602 /nfs/dbraw/zinc/12/56/02/202125602.db2.gz KJWFDVSZOBUYSC-HOTGVXAUSA-N 2 0 309.498 2.665 20 0 DFADRP CC[C@H](C)[C@@H]([NH3+])C(=O)NCc1ccccc1C[N@H+](C)C(C)C ZINC000237082133 202146677 /nfs/dbraw/zinc/14/66/77/202146677.db2.gz KKKDJEPTALZLPI-WMLDXEAASA-N 2 0 305.466 2.516 20 0 DFADRP COC(=O)c1ccc(C[NH+]2CCC(CC[NH+](C)C)CC2)c(F)c1 ZINC000135120355 283209280 /nfs/dbraw/zinc/20/92/80/283209280.db2.gz JIASERAPJRKXED-UHFFFAOYSA-N 2 0 322.424 2.776 20 0 DFADRP CCC[NH+](CCC)CCCC(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000365754236 283209547 /nfs/dbraw/zinc/20/95/47/283209547.db2.gz UEEBPJOLWATJNS-SJORKVTESA-N 2 0 309.498 2.584 20 0 DFADRP C[N@H+](CCCNC(=O)c1ccc(C[NH3+])cc1)C1CCCCC1 ZINC000237073667 202143950 /nfs/dbraw/zinc/14/39/50/202143950.db2.gz ZDCVRKOHEHDHCA-UHFFFAOYSA-N 2 0 303.450 2.530 20 0 DFADRP CS[C@@H]1CC[C@@H]1[NH2+][C@H]1CCCN(c2cc(C)nc(C)n2)C1 ZINC000591835639 398794113 /nfs/dbraw/zinc/79/41/13/398794113.db2.gz YEEKFTZACFUCNS-SOUVJXGZSA-N 2 0 306.479 2.546 20 0 DFADRP CS[C@@H]1CC[C@@H]1[NH2+][C@@H]1CCCN(c2cc(C)nc(C)n2)C1 ZINC000591835636 398793966 /nfs/dbraw/zinc/79/39/66/398793966.db2.gz YEEKFTZACFUCNS-QLFBSQMISA-N 2 0 306.479 2.546 20 0 DFADRP C[NH2+]CCCC(=O)NCc1ccc(C[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000237185149 202181427 /nfs/dbraw/zinc/18/14/27/202181427.db2.gz HKVLNYDWLVOMMJ-INIZCTEOSA-N 2 0 317.477 2.677 20 0 DFADRP C[NH+](C)[C@H](CNC(=O)C[C@@H]([NH3+])c1ccccc1)c1cccs1 ZINC000237192587 202183385 /nfs/dbraw/zinc/18/33/85/202183385.db2.gz QASMMGJIEUMYMG-HUUCEWRRSA-N 2 0 317.458 2.557 20 0 DFADRP COc1ccc(C[C@@H](C)[NH2+]C[C@H](C)C[NH+]2CCCC2)cc1OC ZINC000237221476 202194074 /nfs/dbraw/zinc/19/40/74/202194074.db2.gz HEHIXVXLSOCVCN-JKSUJKDBSA-N 2 0 320.477 2.956 20 0 DFADRP C[C@H](Cn1cccn1)[NH2+]C1CCC([NH+]2CCC(C)CC2)CC1 ZINC000138892095 283258288 /nfs/dbraw/zinc/25/82/88/283258288.db2.gz CWHUTNDAJYOWRW-WWDZGPRUSA-N 2 0 304.482 2.904 20 0 DFADRP COC(=O)c1cc(C[NH+]2CCC(CC[NH+](C)C)CC2)c(C)o1 ZINC000050031384 398802970 /nfs/dbraw/zinc/80/29/70/398802970.db2.gz WJCSLTXYQBZKJU-UHFFFAOYSA-N 2 0 308.422 2.538 20 0 DFADRP COC(=O)c1cc(C[NH2+]CCCC[N@@H+]2CCC[C@@H](C)C2)c(C)o1 ZINC000594599583 398828212 /nfs/dbraw/zinc/82/82/12/398828212.db2.gz HMYCDWAVPUHZLJ-CQSZACIVSA-N 2 0 322.449 2.976 20 0 DFADRP C[C@H]([NH2+]C1CCC([NH+](C)C)CC1)c1ccc([S@@](C)=O)cc1 ZINC000353645720 299270719 /nfs/dbraw/zinc/27/07/19/299270719.db2.gz PTHMXJNGCVYNMK-STSLTGFMSA-N 2 0 308.491 2.947 20 0 DFADRP CCC[NH+]1CCC(C[NH2+]Cc2cc(C(=O)OC)oc2C)CC1 ZINC000594611432 398831968 /nfs/dbraw/zinc/83/19/68/398831968.db2.gz FDNNTOOVFJQPQO-UHFFFAOYSA-N 2 0 308.422 2.586 20 0 DFADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@@H]1CC[C@@H](O)C1 ZINC000276686388 213046987 /nfs/dbraw/zinc/04/69/87/213046987.db2.gz UFBMTKVIIXVCSU-OWYHZJEWSA-N 2 0 302.462 2.648 20 0 DFADRP c1ccc(C[N@H+]2[C@@H]3CC[C@H]2CC([NH2+][C@H]2CCCOC2)C3)cc1 ZINC000180126160 199120104 /nfs/dbraw/zinc/12/01/04/199120104.db2.gz QEIXJLQUGJNOCV-QBUWPKIASA-N 2 0 300.446 2.951 20 0 DFADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@@H]1CC[C@H](O)C1 ZINC000276686394 213045771 /nfs/dbraw/zinc/04/57/71/213045771.db2.gz UFBMTKVIIXVCSU-YSHGAJCASA-N 2 0 302.462 2.648 20 0 DFADRP CC(C)CSCCC[N@H+](C)CC1CC[NH+](C[C@@H](C)O)CC1 ZINC000152661354 283333503 /nfs/dbraw/zinc/33/35/03/283333503.db2.gz QKNIOVWUXMWZRR-MRXNPFEDSA-N 2 0 316.555 2.790 20 0 DFADRP CC[C@@H](COC)[NH2+][C@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000180166630 199126327 /nfs/dbraw/zinc/12/63/27/199126327.db2.gz XCVPNHCBSZQBKS-VJANTYMQSA-N 2 0 302.462 2.912 20 0 DFADRP CCCc1ccc(C[N@@H+]2CC[C@H](N3CC[NH+](CC)CC3)C2)s1 ZINC000598669726 398850884 /nfs/dbraw/zinc/85/08/84/398850884.db2.gz DITILHXVQKGYFX-INIZCTEOSA-N 2 0 321.534 2.912 20 0 DFADRP COC(=O)c1cc(C[NH+]2CCC([C@H]3CCC[NH2+]C3)CC2)oc1C ZINC000594734583 398851311 /nfs/dbraw/zinc/85/13/11/398851311.db2.gz BXVVVKIQVYGOPQ-HNNXBMFYSA-N 2 0 320.433 2.586 20 0 DFADRP CC(C)[N@@H+]1CC[C@H](CNC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000076519388 398859681 /nfs/dbraw/zinc/85/96/81/398859681.db2.gz XZJBMVXSYDLJKT-LJQANCHMSA-N 2 0 315.505 2.971 20 0 DFADRP CC[NH+](CC)[C@H](CNC(=O)C[NH+]1CCC(C)CC1)c1ccco1 ZINC000052873308 398854480 /nfs/dbraw/zinc/85/44/80/398854480.db2.gz XTEABDLTEOJBMQ-MRXNPFEDSA-N 2 0 321.465 2.511 20 0 DFADRP C[C@H]1C[C@@H]([NH2+]C[C@H](O)Cc2ccccc2)CN1Cc1ccccc1 ZINC000132016266 398855018 /nfs/dbraw/zinc/85/50/18/398855018.db2.gz FPLHJYCADBWTAD-IOMROCGXSA-N 2 0 324.468 2.843 20 0 DFADRP COc1ccc2c(c1)[C@@H]([NH2+][C@@H]1CN(C3CC3)C[C@@H]1C)CCO2 ZINC000468019505 299275426 /nfs/dbraw/zinc/27/54/26/299275426.db2.gz IMZJYIALLVFKRS-AFAVFJNCSA-N 2 0 302.418 2.591 20 0 DFADRP COC(=O)[C@@H]1C[C@H]1[C@@H](C)[NH2+]Cc1cccc(C[N@H+](C)C(C)C)c1 ZINC000594917025 398870433 /nfs/dbraw/zinc/87/04/33/398870433.db2.gz FXVOWDWNZDFFLR-FHLIZLRMSA-N 2 0 318.461 2.814 20 0 DFADRP CC[NH+](CC)Cc1cccc(C[NH2+][C@H](C)[C@@H]2C[C@H]2C(=O)OC)c1 ZINC000594925898 398873052 /nfs/dbraw/zinc/87/30/52/398873052.db2.gz PVOWTCCDPBVWAQ-FHLIZLRMSA-N 2 0 318.461 2.816 20 0 DFADRP COC(=O)[C@@H]1C[C@@H]1[C@H](C)[NH2+]CC[C@@H](C)[N@H+](C)Cc1ccccc1 ZINC000594941771 398877496 /nfs/dbraw/zinc/87/74/96/398877496.db2.gz UQRIEILHUQOBDJ-CYGHRXIMSA-N 2 0 318.461 2.684 20 0 DFADRP COc1cc2c(cc1F)[nH+]ccc2N1CCC[C@@H]([NH+](C)C)C1 ZINC000280652359 215770591 /nfs/dbraw/zinc/77/05/91/215770591.db2.gz FPLANNNEXAAHQR-GFCCVEGCSA-N 2 0 303.381 2.913 20 0 DFADRP COC(=O)[C@@H]1C[C@@H]1[C@H](C)[NH2+]C[C@H]1CCC[N@@H+]1C1CCCCC1 ZINC000594938440 398877061 /nfs/dbraw/zinc/87/70/61/398877061.db2.gz WDMFDGKIKWASSB-RKTXRCNFSA-N 2 0 308.466 2.571 20 0 DFADRP Cc1cc(C)cc(C[N@@H+](C)CCN(C)C2CC[NH+](C)CC2)c1 ZINC000180953965 199233058 /nfs/dbraw/zinc/23/30/58/199233058.db2.gz DROIMVPHYFGCRG-UHFFFAOYSA-N 2 0 303.494 2.761 20 0 DFADRP CC1CC[NH+](C[C@@H](O)C[NH2+]CCCCOc2ccccc2)CC1 ZINC000438200354 297084361 /nfs/dbraw/zinc/08/43/61/297084361.db2.gz JPFMFJATGRBJBB-SFHVURJKSA-N 2 0 320.477 2.528 20 0 DFADRP COC(=O)CC(C)(C)C[C@@H](C)[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000595018850 398892468 /nfs/dbraw/zinc/89/24/68/398892468.db2.gz SYMQVVRBKSEUOD-CQSZACIVSA-N 2 0 310.482 2.818 20 0 DFADRP CCOC(=O)c1[nH]c(C)c(C[NH2+]C[C@@H](C)C[NH+]2CCCC2)c1C ZINC000598954335 398896586 /nfs/dbraw/zinc/89/65/86/398896586.db2.gz BSWGYVRIAQFZGQ-CYBMUJFWSA-N 2 0 321.465 2.630 20 0 DFADRP C[NH+]1CCC(C)(C[NH2+]CCCc2ccc3c(c2)CCO3)CC1 ZINC000280989107 216006848 /nfs/dbraw/zinc/00/68/48/216006848.db2.gz WTKKZTBQCDSLRH-UHFFFAOYSA-N 2 0 302.462 2.876 20 0 DFADRP C[C@H](CC(=O)OC(C)(C)C)[NH2+]CC1CC[NH+](CC2CC2)CC1 ZINC000595103983 398906297 /nfs/dbraw/zinc/90/62/97/398906297.db2.gz PWXNSCVZMHIEAH-CQSZACIVSA-N 2 0 310.482 2.818 20 0 DFADRP COC(=O)c1coc([C@H](C)[NH2+]CC2CC[NH+](CC3CC3)CC2)c1 ZINC000595102457 398906069 /nfs/dbraw/zinc/90/60/69/398906069.db2.gz IEEIOZREMFIRMT-ZDUSSCGKSA-N 2 0 320.433 2.839 20 0 DFADRP Nc1cc[nH+]cc1C(=O)Nc1ccc(CC[NH+]2CCCC2)cc1 ZINC000188118568 200196843 /nfs/dbraw/zinc/19/68/43/200196843.db2.gz VHPIPWOUBAHRIR-UHFFFAOYSA-N 2 0 310.401 2.554 20 0 DFADRP CCOC(=O)[C@@H]1CC[C@H]([NH2+]C[C@H]2CCCC[N@H+](C)C2)C[C@H]1C ZINC000599071636 398917219 /nfs/dbraw/zinc/91/72/19/398917219.db2.gz RQJDPVFZPKGJFM-WCXIOVBPSA-N 2 0 310.482 2.676 20 0 DFADRP C[C@H]1C[C@H](C)C[NH+](C(C)(C)CNC(=O)C2([NH3+])CCCCC2)C1 ZINC000237548185 202279689 /nfs/dbraw/zinc/27/96/89/202279689.db2.gz RTUXHWGLVIKGPO-GJZGRUSLSA-N 2 0 309.498 2.521 20 0 DFADRP C[C@@H](CC(=O)Nc1cccc(C[NH+](C)C)c1)[C@H]1CCC[NH2+]C1 ZINC000237606682 202300395 /nfs/dbraw/zinc/30/03/95/202300395.db2.gz KJHZORYBZDLDPV-HOCLYGCPSA-N 2 0 303.450 2.713 20 0 DFADRP Cc1nccnc1[C@@H](C)[NH2+]CC1CCN(c2cc[nH+]cc2)CC1 ZINC000188167042 200203603 /nfs/dbraw/zinc/20/36/03/200203603.db2.gz ZILLLEBGHYHKNO-OAHLLOKOSA-N 2 0 311.433 2.747 20 0 DFADRP C[C@@H]1CCCC[N@@H+]1CCC[NH2+]C1CCN(CC(F)(F)F)CC1 ZINC000237674272 202325026 /nfs/dbraw/zinc/32/50/26/202325026.db2.gz VHSHEMPFMLPUSM-CQSZACIVSA-N 2 0 321.431 2.867 20 0 DFADRP CCc1cccc(C[N@H+](C)CC2CC[NH+](C[C@H](C)O)CC2)c1 ZINC000189180843 200360248 /nfs/dbraw/zinc/36/02/48/200360248.db2.gz NQJZAIYSJRTFER-INIZCTEOSA-N 2 0 304.478 2.774 20 0 DFADRP C[C@@H]([NH2+][C@@H](CO)CC1CCC1)c1cccc(OCC[NH+](C)C)c1 ZINC000281155347 216116615 /nfs/dbraw/zinc/11/66/15/216116615.db2.gz OTTVRMWAVMGOTJ-CRAIPNDOSA-N 2 0 320.477 2.829 20 0 DFADRP C[C@@H]([NH2+][C@H](CO)CC1CCC1)c1cccc(OCC[NH+](C)C)c1 ZINC000281155356 216116750 /nfs/dbraw/zinc/11/67/50/216116750.db2.gz OTTVRMWAVMGOTJ-QAPCUYQASA-N 2 0 320.477 2.829 20 0 DFADRP CC(C)[NH+]1CCC([NH2+]CC[C@@H]2COc3ccccc3O2)CC1 ZINC000417337187 296011558 /nfs/dbraw/zinc/01/15/58/296011558.db2.gz KYEPNMZIATWDKL-MRXNPFEDSA-N 2 0 304.434 2.679 20 0 DFADRP C[C@@H](CCN1CC[NH+](C)CC1)[NH2+][C@@H](C)[C@@H]1C[C@H]1c1cccs1 ZINC000417347770 296012300 /nfs/dbraw/zinc/01/23/00/296012300.db2.gz WSXDRGIXXSPUEK-LUKYLMHMSA-N 2 0 321.534 2.856 20 0 DFADRP C[C@@H]([NH2+][C@@H](C)CCN1CC[NH+](C)CC1)[C@@H]1C[C@H]1c1cccs1 ZINC000417347771 296012370 /nfs/dbraw/zinc/01/23/70/296012370.db2.gz WSXDRGIXXSPUEK-VVLHAWIVSA-N 2 0 321.534 2.856 20 0 DFADRP C[NH+](C)C1(CN[C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)CC1 ZINC000417353031 296013238 /nfs/dbraw/zinc/01/32/38/296013238.db2.gz HUFLRYCNFIYIJO-REPLKXPHSA-N 2 0 313.489 2.866 20 0 DFADRP [NH3+]C[C@H](Cc1ccccc1)[C@@H]1CCCC[N@@H+]1C[C@H]1CCOC1 ZINC000471872720 299311921 /nfs/dbraw/zinc/31/19/21/299311921.db2.gz RALMXKHWTURQFE-QYZOEREBSA-N 2 0 302.462 2.695 20 0 DFADRP C[C@@H]([NH3+])CCC(=O)NC[C@H](c1cccs1)[NH+]1CCC(C)CC1 ZINC000193291127 296017498 /nfs/dbraw/zinc/01/74/98/296017498.db2.gz OPTJUDLENZLGRD-HUUCEWRRSA-N 2 0 323.506 2.765 20 0 DFADRP CC1CC[NH+](CCCC[NH2+]C2CCN(CC(F)F)CC2)CC1 ZINC000158179122 398957109 /nfs/dbraw/zinc/95/71/09/398957109.db2.gz OEQBDYHBUSEGQJ-UHFFFAOYSA-N 2 0 317.468 2.818 20 0 DFADRP C[C@@H]1C[C@@H](C)C[NH+](CCC[NH2+]C2CCN(CC(F)F)CC2)C1 ZINC000158658317 398959495 /nfs/dbraw/zinc/95/94/95/398959495.db2.gz OVBRHDCNFYAUKM-HUUCEWRRSA-N 2 0 317.468 2.674 20 0 DFADRP COc1cc([C@@H](C)[NH2+]CC2=CC[N@H+](C)CC2)cc(OC)c1OC ZINC000271895566 209305800 /nfs/dbraw/zinc/30/58/00/209305800.db2.gz UCFPBQGRVYCEJO-CYBMUJFWSA-N 2 0 320.433 2.625 20 0 DFADRP COc1cc([C@H](C)[NH2+]CC2=CC[N@H+](C)CC2)cc(OC)c1OC ZINC000271896397 209305353 /nfs/dbraw/zinc/30/53/53/209305353.db2.gz UCFPBQGRVYCEJO-ZDUSSCGKSA-N 2 0 320.433 2.625 20 0 DFADRP COCC[C@@H](Cc1cccc(F)c1)[NH2+]CC1=CC[N@H+](C)CC1 ZINC000271868056 209281767 /nfs/dbraw/zinc/28/17/67/209281767.db2.gz LVYNIURATXVZSA-SFHVURJKSA-N 2 0 306.425 2.625 20 0 DFADRP CCC(CC)(CNC(=O)N[C@@H](C)C[NH3+])[NH2+][C@H](C)c1ccccc1 ZINC000417710783 296043172 /nfs/dbraw/zinc/04/31/72/296043172.db2.gz VDEXRQXKYVKANF-LSDHHAIUSA-N 2 0 320.481 2.542 20 0 DFADRP CC[NH+]1CCN(C[C@H](C)C[NH2+]C[C@H](C)c2ccccc2)CC1 ZINC000194415443 201222702 /nfs/dbraw/zinc/22/27/02/201222702.db2.gz GOCYYEJRRQMSAI-MSOLQXFVSA-N 2 0 303.494 2.653 20 0 DFADRP C[N@H+]1CC=C(C[NH2+]Cc2csc(Br)c2)CC1 ZINC000271859083 209273826 /nfs/dbraw/zinc/27/38/26/209273826.db2.gz VQKDKUGDZNOMBP-UHFFFAOYSA-N 2 0 301.253 2.862 20 0 DFADRP CC(C)[NH+]1CCC(O)(C[NH2+][C@H](C)Cc2ccccc2F)CC1 ZINC000275665359 212470893 /nfs/dbraw/zinc/47/08/93/212470893.db2.gz BRJKDEJKFGSJTC-OAHLLOKOSA-N 2 0 308.441 2.582 20 0 DFADRP CC(C)[NH2+]CCC(=O)Nc1ccccc1NC1CC[NH+](C)CC1 ZINC000166852480 398993415 /nfs/dbraw/zinc/99/34/15/398993415.db2.gz AUXAXBOOHOXDFM-UHFFFAOYSA-N 2 0 318.465 2.519 20 0 DFADRP C[C@@H](CC(=O)Nc1cccc(Cl)c1)[NH2+]CC1=CC[N@H+](C)CC1 ZINC000271848698 209264297 /nfs/dbraw/zinc/26/42/97/209264297.db2.gz IIFSNBJEMWHHGV-ZDUSSCGKSA-N 2 0 321.852 2.909 20 0 DFADRP C[C@@H](CC(=O)N[C@@H](CCC[NH3+])c1ccccc1)C1CC[NH2+]CC1 ZINC000417828797 296055472 /nfs/dbraw/zinc/05/54/72/296055472.db2.gz HSRJABVBDYJXTI-YJBOKZPZSA-N 2 0 317.477 2.609 20 0 DFADRP CC(C)(C(=O)Nc1ccc2c(c1)C[NH2+]C2)[C@@H]([NH3+])c1ccccc1 ZINC000417831748 296055761 /nfs/dbraw/zinc/05/57/61/296055761.db2.gz KTKWKWIUHOPJMI-KRWDZBQOSA-N 2 0 309.413 2.955 20 0 DFADRP CCC[NH+]1CCC(C[NH2+]Cc2ccccc2C(=O)N(C)C)CC1 ZINC000417909107 296062683 /nfs/dbraw/zinc/06/26/83/296062683.db2.gz HSODHBQFXKOIEN-UHFFFAOYSA-N 2 0 317.477 2.600 20 0 DFADRP C[C@]1(c2ccccc2)CC[C@@H]([NH2+]C[C@@H](O)C[NH+]2CCCCC2)C1 ZINC000249190429 283775971 /nfs/dbraw/zinc/77/59/71/283775971.db2.gz NPZZSDICIHYTHD-AQNXPRMDSA-N 2 0 316.489 2.933 20 0 DFADRP CC(C[NH+]1CCCOC(C)(C)C1)C[N@@H+]1CCCOC(C)(C)C1 ZINC000605575692 399034281 /nfs/dbraw/zinc/03/42/81/399034281.db2.gz PFGVPWGAJWWSGN-UHFFFAOYSA-N 2 0 312.498 2.624 20 0 DFADRP Cc1ccc([C@@H]([NH2+]C[C@H](C)CN2CC[NH+](C)CC2)C2CC2)cc1 ZINC000091320353 193041059 /nfs/dbraw/zinc/04/10/59/193041059.db2.gz JNSTWEDSURRRAL-FXAWDEMLSA-N 2 0 315.505 2.919 20 0 DFADRP C[NH+](C)C1(CNCC(C)(C)C[N@H+](C)Cc2ccccc2)CC1 ZINC000418114330 296079232 /nfs/dbraw/zinc/07/92/32/296079232.db2.gz LGDNCVGEKXVFHH-UHFFFAOYSA-N 2 0 303.494 2.828 20 0 DFADRP CC[C@@H](C(=O)Nc1cccc(CC[NH+]2CCCC2)c1)[NH+](C)C ZINC000091824160 193112714 /nfs/dbraw/zinc/11/27/14/193112714.db2.gz HXFNYXJXDBWWMZ-KRWDZBQOSA-N 2 0 303.450 2.604 20 0 DFADRP CC(C)c1ccc([C@H]([NH3+])CNC(=O)N[C@H](C)CCCC[NH3+])cc1 ZINC000418352569 296087669 /nfs/dbraw/zinc/08/76/69/296087669.db2.gz MTCBLMBCRUICBX-RHSMWYFYSA-N 2 0 320.481 2.627 20 0 DFADRP CCOc1cncc(C[N@@H+]2CC[C@@H](C)[C@H](n3ccnc3)C2)c1 ZINC000621719471 399045265 /nfs/dbraw/zinc/04/52/65/399045265.db2.gz OFVSDCNLASUUIM-RHSMWYFYSA-N 2 0 300.406 2.760 20 0 DFADRP CC[C@H](COC)[NH2+]CCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000271783234 209212686 /nfs/dbraw/zinc/21/26/86/209212686.db2.gz LWPQMRGEPKKZKE-GOSISDBHSA-N 2 0 320.477 2.718 20 0 DFADRP COC(=O)[C@@H]1CC[N@H+](CCC[NH+]2CCCCC2)[C@@H]2CCCC[C@H]12 ZINC000595729367 399058658 /nfs/dbraw/zinc/05/86/58/399058658.db2.gz DWEOUFNZCJOPOC-KZNAEPCWSA-N 2 0 322.493 2.916 20 0 DFADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]CC[C@H]2CC2(F)F)[C@@H](C)C1 ZINC000621768374 399073122 /nfs/dbraw/zinc/07/31/22/399073122.db2.gz OBHKAPYVHCIIDN-KKUMJFAQSA-N 2 0 304.425 2.758 20 0 DFADRP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCC[N@@H+]2Cc2cncc(Cl)c2)C1 ZINC000621776827 399075109 /nfs/dbraw/zinc/07/51/09/399075109.db2.gz XJJDUJKXRJQQDJ-OAGGEKHMSA-N 2 0 309.841 2.596 20 0 DFADRP CCOc1ccc(C[NH2+]C[C@@H]2CC[N@@H+](C(C)C)C2)cc1OC ZINC000058061105 399075740 /nfs/dbraw/zinc/07/57/40/399075740.db2.gz YKNVRDHOQCNQQC-INIZCTEOSA-N 2 0 306.450 2.914 20 0 DFADRP C[C@H]([NH2+][C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1)c1ccc(NC(N)=O)cc1 ZINC000261800657 299382380 /nfs/dbraw/zinc/38/23/80/299382380.db2.gz URMXKBHTWBCDQF-OSMBCOQSSA-N 2 0 316.449 2.749 20 0 DFADRP C[C@@H]1C[N@@H+](CC2CC[NH+](CCOCC3CCC3)CC2)C[C@H](C)O1 ZINC000419192534 296127491 /nfs/dbraw/zinc/12/74/91/296127491.db2.gz PBXBZGARHZNTFG-CALCHBBNSA-N 2 0 324.509 2.624 20 0 DFADRP CC[C@H](C[N@H+](C)[C@H]1CCC[NH+](C[C@@H](CC)OC)CC1)OC ZINC000419247564 296129813 /nfs/dbraw/zinc/12/98/13/296129813.db2.gz XFZGZFCMKDCAEY-GVDBMIGSSA-N 2 0 300.487 2.623 20 0 DFADRP C[C@@H]1CCC[C@@](CNC(=O)C[C@H]([NH3+])c2ccccc2)([NH+](C)C)C1 ZINC000261844425 203132944 /nfs/dbraw/zinc/13/29/44/203132944.db2.gz ZDKZKBXNQRVTDX-HHXXYDBFSA-N 2 0 317.477 2.703 20 0 DFADRP [NH3+]CCCCCCC(=O)N1CC[NH2+]C[C@H]1c1cccc(Cl)c1 ZINC000261969451 203164373 /nfs/dbraw/zinc/16/43/73/203164373.db2.gz LKPGVETXUMWNTA-INIZCTEOSA-N 2 0 323.868 2.722 20 0 DFADRP CC[NH+](CC)[C@H](CNC(=O)C[C@@H]1CCC[C@H]1[NH3+])c1ccccc1 ZINC000262006814 203172939 /nfs/dbraw/zinc/17/29/39/203172939.db2.gz VUNLUWPYMYLYLW-RCCFBDPRSA-N 2 0 317.477 2.703 20 0 DFADRP CCC[C@@H]([NH3+])C(=O)NCc1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000262111958 203201942 /nfs/dbraw/zinc/20/19/42/203201942.db2.gz HCHWIHGEGBTCSE-MAUKXSAKSA-N 2 0 317.477 2.662 20 0 DFADRP [NH3+][C@H]1CCC[C@@H]([NH2+]Cc2cc(Br)ccc2F)C1 ZINC000093215435 193217281 /nfs/dbraw/zinc/21/72/81/193217281.db2.gz XRXGRAXSSNCBOI-NWDGAFQWSA-N 2 0 301.203 2.948 20 0 DFADRP CC[N@H+](Cc1ccc(C(=O)NCC[C@H]2CC[NH2+]C2)cc1)C(C)C ZINC000262594593 203343797 /nfs/dbraw/zinc/34/37/97/203343797.db2.gz TYPHKKONFRUKRY-MRXNPFEDSA-N 2 0 317.477 2.646 20 0 DFADRP CC[C@@H]([NH2+]C[C@H](C)N1CC[NH+](C)CC1)c1cc(C)ccc1OC ZINC000093405432 193245187 /nfs/dbraw/zinc/24/51/87/193245187.db2.gz JURDPWAJJYFRKQ-FUHWJXTLSA-N 2 0 319.493 2.680 20 0 DFADRP CC[C@H]([NH2+]C[C@H](C)N1CC[NH+](C)CC1)c1cc(C)ccc1OC ZINC000093405431 193245342 /nfs/dbraw/zinc/24/53/42/193245342.db2.gz JURDPWAJJYFRKQ-WMZOPIPTSA-N 2 0 319.493 2.680 20 0 DFADRP C[NH2+]C[C@H](C)C(=O)NCc1ccc(C[N@@H+]2CCCC[C@H]2C)cc1 ZINC000262684309 203379930 /nfs/dbraw/zinc/37/99/30/203379930.db2.gz ZXEHVJCNFPECNR-JKSUJKDBSA-N 2 0 317.477 2.533 20 0 DFADRP C[C@H]([NH2+]C1(CNC(=O)CCC[NH3+])CCCC1)c1ccccc1 ZINC000262659043 203368890 /nfs/dbraw/zinc/36/88/90/203368890.db2.gz FHXZGOGEVKLZKJ-HNNXBMFYSA-N 2 0 303.450 2.505 20 0 DFADRP CCC[C@](C)([NH3+])C(=O)NCc1ccccc1C[N@H+](C)C(C)C ZINC000262711653 203389193 /nfs/dbraw/zinc/38/91/93/203389193.db2.gz QTKHLNOFWPTIIS-SFHVURJKSA-N 2 0 305.466 2.661 20 0 DFADRP C[C@@H]([NH2+][C@@H](C)CN1CC[NH+](C)CC1)c1cc2c(s1)CCC2 ZINC000155018825 296146758 /nfs/dbraw/zinc/14/67/58/296146758.db2.gz PHRRZCRNXSIJAN-UONOGXRCSA-N 2 0 307.507 2.523 20 0 DFADRP C[C@@H]([NH2+][C@@H](C)CN1CC[NH+](C)CC1)c1ccc(F)c(Cl)c1 ZINC000155029385 296146817 /nfs/dbraw/zinc/14/68/17/296146817.db2.gz ICTMRJPJBAFFNM-QWHCGFSZSA-N 2 0 313.848 2.766 20 0 DFADRP C[N@H+](Cc1cc(Cl)c2c(c1)OCCCO2)CC(C)(C)C[NH3+] ZINC000093874365 193322343 /nfs/dbraw/zinc/32/23/43/193322343.db2.gz MLLOGHLIPFENEX-UHFFFAOYSA-N 2 0 312.841 2.918 20 0 DFADRP C[NH+](C)Cc1ccc(C(=O)NCCC[NH2+]C2CCCCC2)cc1 ZINC000419908609 296151124 /nfs/dbraw/zinc/15/11/24/296151124.db2.gz IVCDGQKYMIHKLO-UHFFFAOYSA-N 2 0 317.477 2.790 20 0 DFADRP C[C@H](Cn1ccnc1)[NH2+][C@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000274913330 212028176 /nfs/dbraw/zinc/02/81/76/212028176.db2.gz NPRIQUZRTWLXAQ-LMMKCTJWSA-N 2 0 312.461 2.772 20 0 DFADRP C[C@H](Cn1ccnc1)[NH2+][C@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000274913334 212027701 /nfs/dbraw/zinc/02/77/01/212027701.db2.gz NPRIQUZRTWLXAQ-ZHALLVOQSA-N 2 0 312.461 2.772 20 0 DFADRP C[NH2+]C[C@H]1CCCN(c2cc[nH+]c3cc(F)c(OC)cc32)C1 ZINC000420123948 296159092 /nfs/dbraw/zinc/15/90/92/296159092.db2.gz OFHFELMPAQAQGG-GFCCVEGCSA-N 2 0 303.381 2.818 20 0 DFADRP C[C@@H]([NH2+]CCN1CC[N@H+](C)C(C)(C)C1)c1ccc(F)cc1F ZINC000282445857 217002002 /nfs/dbraw/zinc/00/20/02/217002002.db2.gz UUJCTRCOVNDPHP-CYBMUJFWSA-N 2 0 311.420 2.641 20 0 DFADRP Cc1cc(N2CC[NH2+]C[C@@H]2C)c2cc(OC(F)F)ccc2[nH+]1 ZINC000420180100 296160649 /nfs/dbraw/zinc/16/06/49/296160649.db2.gz WNTKTFLANQQNKT-NSHDSACASA-N 2 0 307.344 2.943 20 0 DFADRP Cc1cc(NCC[C@H]2CC[NH2+]C2)c2cc(OC(F)F)ccc2[nH+]1 ZINC000420184201 296161133 /nfs/dbraw/zinc/16/11/33/296161133.db2.gz ICNKZVOAFVSJFV-GFCCVEGCSA-N 2 0 321.371 2.978 20 0 DFADRP CCOc1cc2[nH+]ccc(N3CCC[C@@H]3C[NH3+])c2cc1OCC ZINC000420205800 296162244 /nfs/dbraw/zinc/16/22/44/296162244.db2.gz UNDWVELHIJZLTK-CYBMUJFWSA-N 2 0 315.417 2.960 20 0 DFADRP CC[NH+]1CCN([C@H]2CC[N@H+](C[C@@H](C)c3ccc(C)cc3)C2)CC1 ZINC000600117271 399141496 /nfs/dbraw/zinc/14/14/96/399141496.db2.gz KGPHQSHKXSKASE-QUCCMNQESA-N 2 0 315.505 2.810 20 0 DFADRP Brc1cccc2c(N3C[C@H]4C[NH2+]C[C@H]4C3)ccnc12 ZINC000420240046 296164995 /nfs/dbraw/zinc/16/49/95/296164995.db2.gz JJNMOLJDMLALKA-PHIMTYICSA-N 2 0 318.218 2.653 20 0 DFADRP C[NH+](C)CC1CC[NH+](Cc2cn3cc(Cl)ccc3n2)CC1 ZINC000341184620 284246381 /nfs/dbraw/zinc/24/63/81/284246381.db2.gz KYMJBFMLEPQNSG-UHFFFAOYSA-N 2 0 306.841 2.761 20 0 DFADRP CCOc1cc2[nH+]ccc(N3CC[C@@H]([NH3+])[C@@H]3C)c2cc1OCC ZINC000420246797 296165334 /nfs/dbraw/zinc/16/53/34/296165334.db2.gz GHUUUZZDYQUENN-GXTWGEPZSA-N 2 0 315.417 2.958 20 0 DFADRP COc1cc2c(cc1F)[nH+]ccc2N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000420253515 296165966 /nfs/dbraw/zinc/16/59/66/296165966.db2.gz BDXOIUBOYTVHBU-BXUZGUMPSA-N 2 0 301.365 2.571 20 0 DFADRP CCC[NH+]1CCC([N@H+](C)C[C@@H](O)COc2ccccc2C)CC1 ZINC000264642863 204049385 /nfs/dbraw/zinc/04/93/85/204049385.db2.gz VTJZTUZHQHWEOD-GOSISDBHSA-N 2 0 320.477 2.541 20 0 DFADRP CC(C)[NH+]1CCC(O)(C[NH2+][C@@H]2CCC[C@@H](C(F)(F)F)C2)CC1 ZINC000438195180 297084439 /nfs/dbraw/zinc/08/44/39/297084439.db2.gz ZXPSRODMWAMLID-ZIAGYGMSSA-N 2 0 322.415 2.932 20 0 DFADRP CCc1ccccc1[C@H]([NH3+])CNc1ccncc1Br ZINC000420278775 296168651 /nfs/dbraw/zinc/16/86/51/296168651.db2.gz OJXKGVKWMLWEKR-CQSZACIVSA-N 2 0 320.234 2.940 20 0 DFADRP C[C@@](C[NH3+])([NH2+]CCOc1ccccc1Br)C1CC1 ZINC000420282684 296169107 /nfs/dbraw/zinc/16/91/07/296169107.db2.gz BAPLGBLHEMXSGA-AWEZNQCLSA-N 2 0 313.239 2.545 20 0 DFADRP CCOC(=O)c1oc2ccccc2c1CN[C@@](C)(C[NH3+])C1CC1 ZINC000420289364 296169886 /nfs/dbraw/zinc/16/98/86/296169886.db2.gz KFIZLDGOZYJNJX-SFHVURJKSA-N 2 0 316.401 2.827 20 0 DFADRP CC(C)[C@H]([NH3+])CCN(C)[C@@H](C)c1ncc(Br)cn1 ZINC000420291891 296170112 /nfs/dbraw/zinc/17/01/12/296170112.db2.gz OHSPPOLNKWHUDW-CMPLNLGQSA-N 2 0 315.259 2.605 20 0 DFADRP CCS[C@@H]1CC[C@H]([N@H+](C)C[C@H](O)[C@@H]([NH3+])Cc2ccccc2)C1 ZINC000420294531 296170545 /nfs/dbraw/zinc/17/05/45/296170545.db2.gz AZUAWFYBLXJIJI-MHORFTMASA-N 2 0 322.518 2.523 20 0 DFADRP CCC[N@H+](CC)Cc1ccc(C(=O)NCCCC[NH+](C)C)cc1 ZINC000264930854 204278651 /nfs/dbraw/zinc/27/86/51/204278651.db2.gz SKNZTUCQTJHPCK-UHFFFAOYSA-N 2 0 319.493 2.990 20 0 DFADRP COc1ccc(OC)c([C@H]2CCC[N@@H+]2CC[C@H]2CC[NH2+]C2)c1 ZINC000420296436 296170883 /nfs/dbraw/zinc/17/08/83/296170883.db2.gz BZLWCKKQZVPURA-RHSMWYFYSA-N 2 0 304.434 2.840 20 0 DFADRP COCC[N@H+](CC[C@@H]1CC[NH2+]C1)Cc1ccc(F)cc1Cl ZINC000420297508 296171017 /nfs/dbraw/zinc/17/10/17/296171017.db2.gz GAMVRLXODIEWSF-ZDUSSCGKSA-N 2 0 314.832 2.927 20 0 DFADRP CCC[N@H+](CC[C@H]1CC[NH2+]C1)CC(=O)Nc1ccccc1C ZINC000420300475 296171740 /nfs/dbraw/zinc/17/17/40/296171740.db2.gz HNUIBFFVVBEAAP-MRXNPFEDSA-N 2 0 303.450 2.645 20 0 DFADRP Cc1cc(C)cc(NC(=O)[C@@H](C)[N@@H+]2CCC[C@@H](CC[NH3+])C2)c1 ZINC000420302167 296171743 /nfs/dbraw/zinc/17/17/43/296171743.db2.gz BGSZKCBPFQYYNM-CVEARBPZSA-N 2 0 303.450 2.691 20 0 DFADRP CC(C)[C@@](C)(C[NH3+])[NH2+]CCOc1ccccc1Br ZINC000420298683 296171318 /nfs/dbraw/zinc/17/13/18/296171318.db2.gz FQXHZSFODUPDNB-CQSZACIVSA-N 2 0 315.255 2.791 20 0 DFADRP c1cc2c(c([C@H]3CCC[N@H+]3CC[C@@H]3CCC[NH2+]C3)c1)OCCO2 ZINC000420298208 296171335 /nfs/dbraw/zinc/17/13/35/296171335.db2.gz HAWZTTPVYWVLMS-DOTOQJQBSA-N 2 0 316.445 2.984 20 0 DFADRP C[C@@H]1[C@H](c2ccccc2)CC[N@@H+]1C[C@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC000420299286 296171418 /nfs/dbraw/zinc/17/14/18/296171418.db2.gz IRJOCBSCDZRXSB-DBOLQNLKSA-N 2 0 324.468 2.795 20 0 DFADRP Clc1ccccc1[C@@H]1C[NH2+]CCN1CC[C@@H]1CCC[NH2+]C1 ZINC000420303202 296172106 /nfs/dbraw/zinc/17/21/06/296172106.db2.gz CGPUQTWEFOCEKB-YOEHRIQHSA-N 2 0 307.869 2.676 20 0 DFADRP COC(=O)CCC[N@@H+]1CCCC[C@@H]1[C@H](C[NH3+])Cc1ccccc1 ZINC000420304603 296172122 /nfs/dbraw/zinc/17/21/22/296172122.db2.gz FDFLAYBHKWDVBG-ZWKOTPCHSA-N 2 0 318.461 2.612 20 0 DFADRP CCc1ccccc1NC(=O)[C@H](C)[N@@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000420302411 296171846 /nfs/dbraw/zinc/17/18/46/296171846.db2.gz FYVSJXFMQHIKBU-HNNXBMFYSA-N 2 0 315.461 2.652 20 0 DFADRP OCC[N@H+](CC[C@@H]1CCC[NH2+]C1)[C@H]1CCCc2ccccc21 ZINC000420306584 296172438 /nfs/dbraw/zinc/17/24/38/296172438.db2.gz QLIBSLBCGLXTLK-LPHOPBHVSA-N 2 0 302.462 2.748 20 0 DFADRP CCC(CC)([NH2+]CCN1CC[NH2+]CC1)c1ccc(Cl)cc1 ZINC000420305350 296172513 /nfs/dbraw/zinc/17/25/13/296172513.db2.gz PMFDAWJDWXNQIA-UHFFFAOYSA-N 2 0 309.885 2.850 20 0 DFADRP CC[N@H+](CC[C@@H]1CC[NH2+]C1)CC(=O)Nc1c(C)cccc1C ZINC000420306592 296172688 /nfs/dbraw/zinc/17/26/88/296172688.db2.gz QLZJTZWHRNCJFZ-INIZCTEOSA-N 2 0 303.450 2.563 20 0 DFADRP [NH3+][C@@H]1CCC[C@H]2C[N@H+](CCOc3ccc(F)cc3Cl)C[C@H]21 ZINC000420310762 296173343 /nfs/dbraw/zinc/17/33/43/296173343.db2.gz QBTROGJMJIEBSS-NJZAAPMLSA-N 2 0 312.816 2.917 20 0 DFADRP CC[NH+](CC)CCCN(Cc1scnc1C)C[C@H]1CC[NH2+]C1 ZINC000420312765 296173906 /nfs/dbraw/zinc/17/39/06/296173906.db2.gz OWAAWKUJRDEZMW-INIZCTEOSA-N 2 0 324.538 2.595 20 0 DFADRP CCC[N@H+](CC[C@H]1CC[NH2+]C1)C[C@H]1COc2ccccc2O1 ZINC000420315287 296173914 /nfs/dbraw/zinc/17/39/14/296173914.db2.gz LNLPYQLZWAKVKS-CVEARBPZSA-N 2 0 304.434 2.538 20 0 DFADRP C[C@@H]([NH3+])CN1CC[NH+](CCC23CC4CC(CC(C4)C2)C3)CC1 ZINC000420307904 296172987 /nfs/dbraw/zinc/17/29/87/296172987.db2.gz CEJRPYCOSTTXDX-CPZBXZKTSA-N 2 0 305.510 2.558 20 0 DFADRP COc1ccc([C@H](C[NH3+])C[N@@H+]2CCCC[C@H]2c2cn[nH]c2)cc1 ZINC000420307615 296173030 /nfs/dbraw/zinc/17/30/30/296173030.db2.gz BVVYNXCESDMPCH-QAPCUYQASA-N 2 0 314.433 2.688 20 0 DFADRP c1cnc2sc(C[NH+]3CCC([C@@H]4CC[NH2+]C4)CC3)nc2c1 ZINC000420318122 296174437 /nfs/dbraw/zinc/17/44/37/296174437.db2.gz PMTBKJRCZBZSPP-CYBMUJFWSA-N 2 0 302.447 2.513 20 0 DFADRP CO[C@H](C)c1nc(C[N@@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)cs1 ZINC000420321551 296174724 /nfs/dbraw/zinc/17/47/24/296174724.db2.gz CTKCKCWRINFASE-HZSPNIEDSA-N 2 0 309.479 2.672 20 0 DFADRP CCN(C[C@@H]1CC[N@H+](CC[C@@H]2CCC[NH2+]C2)C1)CC(F)(F)F ZINC000420317855 296174234 /nfs/dbraw/zinc/17/42/34/296174234.db2.gz NHCJCKZSALFSIZ-GJZGRUSLSA-N 2 0 321.431 2.582 20 0 DFADRP COC(=O)c1cc2cc(C[N@@H+]3CCC[C@@H](CC[NH3+])C3)ccc2o1 ZINC000420321140 296174984 /nfs/dbraw/zinc/17/49/84/296174984.db2.gz ZPOITBBSUABQAC-ZDUSSCGKSA-N 2 0 316.401 2.780 20 0 DFADRP [NH3+][C@@H](Cc1ccccc1)[C@@H](O)C[N@@H+]1CCC[C@H]1C1CCCC1 ZINC000420322918 296175433 /nfs/dbraw/zinc/17/54/33/296175433.db2.gz STERKHQNBJHFRT-FHWLQOOXSA-N 2 0 302.462 2.572 20 0 DFADRP Clc1cccc([C@H]2C[NH2+]CCN2CC[C@H]2CCC[NH2+]C2)c1 ZINC000420322563 296174811 /nfs/dbraw/zinc/17/48/11/296174811.db2.gz WSKYJUJFCADDLK-RHSMWYFYSA-N 2 0 307.869 2.676 20 0 DFADRP C[C@H](C(=O)Nc1ccc(Cl)cc1)[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000420328161 296176211 /nfs/dbraw/zinc/17/62/11/296176211.db2.gz DWPFVIDOPQRVIM-MCIONIFRSA-N 2 0 321.852 2.598 20 0 DFADRP Cc1ccccc1NC(=O)[C@H](C)[N@@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000420331192 296176553 /nfs/dbraw/zinc/17/65/53/296176553.db2.gz BSXLTWQZAAZNQR-YESZJQIVSA-N 2 0 315.461 2.644 20 0 DFADRP C[C@H](c1cc(F)ccc1F)[NH+]1CCC([C@@H]2OCC[C@H]2[NH3+])CC1 ZINC000420329021 296175966 /nfs/dbraw/zinc/17/59/66/296175966.db2.gz ITLXOZYMRWCEQE-LQAWEQHXSA-N 2 0 310.388 2.854 20 0 DFADRP C[C@H](C(=O)NCC1CCCCC1)[NH+]1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000420337256 296177194 /nfs/dbraw/zinc/17/71/94/296177194.db2.gz JUNKRHHGGMNOBB-CRAIPNDOSA-N 2 0 321.509 2.535 20 0 DFADRP CC[N@H+](Cc1ccc(C(=O)NCCC[NH+](C)C)cc1)C(C)C ZINC000265353851 204552677 /nfs/dbraw/zinc/55/26/77/204552677.db2.gz WTBIMZDHNURBRB-UHFFFAOYSA-N 2 0 305.466 2.598 20 0 DFADRP [NH3+][C@@H]1CCO[C@H]1C1CC[NH+](Cc2cc(F)ccc2Cl)CC1 ZINC000420345154 296177996 /nfs/dbraw/zinc/17/79/96/296177996.db2.gz ZCMJPDSKGQOHCQ-CVEARBPZSA-N 2 0 312.816 2.807 20 0 DFADRP Cc1cccc(C)c1NC(=O)C[N@@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420345392 296178024 /nfs/dbraw/zinc/17/80/24/296178024.db2.gz WCFIHRKKEYPJPS-SJORKVTESA-N 2 0 315.461 2.563 20 0 DFADRP C[C@@H](C(=O)Nc1cccc(F)c1)[NH+]1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000420339631 296177592 /nfs/dbraw/zinc/17/75/92/296177592.db2.gz MDLHARCIFYUCLI-GUYCJALGSA-N 2 0 319.424 2.617 20 0 DFADRP O=C(C[N@@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1)Nc1cccc(Cl)c1 ZINC000420344035 296178200 /nfs/dbraw/zinc/17/82/00/296178200.db2.gz RUDQQQXHKILSPR-ZIAGYGMSSA-N 2 0 321.852 2.600 20 0 DFADRP Cc1cccc(NC(=O)[C@H](C)[N@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)c1C ZINC000420347148 296178540 /nfs/dbraw/zinc/17/85/40/296178540.db2.gz XRIYZECWOTTZDF-YESZJQIVSA-N 2 0 315.461 2.562 20 0 DFADRP CCN(CC)C(=O)CCC1CC[NH+](CC[C@H]2CCC[NH2+]C2)CC1 ZINC000420356263 296179314 /nfs/dbraw/zinc/17/93/14/296179314.db2.gz GKTJFKHYKHYQMY-GOSISDBHSA-N 2 0 323.525 2.737 20 0 DFADRP CC1(C)C[NH2+]CC[C@H]1[NH2+]CCOc1ccc(F)cc1Cl ZINC000420355970 296179334 /nfs/dbraw/zinc/17/93/34/296179334.db2.gz FVXHFLPDOJZTQQ-CQSZACIVSA-N 2 0 300.805 2.836 20 0 DFADRP Cc1ccc2c(c1)[C@@H]([NH2+]CCN1CC[N@@H+](C)C(C)(C)C1)CCC2 ZINC000282506279 217047869 /nfs/dbraw/zinc/04/78/69/217047869.db2.gz YNYIXVUCDRHZEI-IBGZPJMESA-N 2 0 315.505 2.988 20 0 DFADRP COc1ccc([C@H](C[NH3+])C[NH+]2CCC([C@@H]3CCCO3)CC2)cc1 ZINC000420359062 296179576 /nfs/dbraw/zinc/17/95/76/296179576.db2.gz KDKZOQVWYZJJKK-MJGOQNOKSA-N 2 0 318.461 2.629 20 0 DFADRP CC[NH+](CC)Cc1ccc(C(=O)N(C)[C@H]2CC[N@H+](C)C[C@H]2C)o1 ZINC000607516256 399173172 /nfs/dbraw/zinc/17/31/72/399173172.db2.gz FXOURLIUTUXNRL-ZBFHGGJFSA-N 2 0 321.465 2.534 20 0 DFADRP [NH3+][C@H]1CCCO[C@@H]1C1CC[NH+](CCCc2ccsc2)CC1 ZINC000420370151 296181489 /nfs/dbraw/zinc/18/14/89/296181489.db2.gz CIBJGROXPNKKMZ-DLBZAZTESA-N 2 0 308.491 2.899 20 0 DFADRP Cc1ccc([C@@H]([NH2+]CCN2CC[NH2+]CC2)c2ccccc2)cc1 ZINC000420371098 296181833 /nfs/dbraw/zinc/18/18/33/296181833.db2.gz KGSGWPVVAVUVFC-FQEVSTJZSA-N 2 0 309.457 2.579 20 0 DFADRP CCc1ccccc1C[NH+]1CCC([C@@H]2OCCC[C@H]2[NH3+])CC1 ZINC000420379226 296183180 /nfs/dbraw/zinc/18/31/80/296183180.db2.gz MYAQLGJCUFCVAP-MOPGFXCFSA-N 2 0 302.462 2.967 20 0 DFADRP Cn1c2ccccc2nc1CC[N@@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000420378070 296183017 /nfs/dbraw/zinc/18/30/17/296183017.db2.gz BBWLAKZYJNYAMB-WBVHZDCISA-N 2 0 312.461 2.580 20 0 DFADRP C[C@H](Cc1cccc(Cl)c1)[NH2+][C@@H](C)CCN1CC[NH+](C)CC1 ZINC000282644893 217148570 /nfs/dbraw/zinc/14/85/70/217148570.db2.gz LJWFGYZKDHRLRK-JKSUJKDBSA-N 2 0 323.912 2.887 20 0 DFADRP [NH3+][C@H]1CCCO[C@@H]1C1CC[NH+](CCOC2CCCCCC2)CC1 ZINC000420384008 296184146 /nfs/dbraw/zinc/18/41/46/296184146.db2.gz RBUOVWXFIQFHOB-RBUKOAKNSA-N 2 0 324.509 2.944 20 0 DFADRP [NH3+][C@@H]1CCO[C@@H](C2CC[NH+](CCCc3cccc(F)c3)CC2)C1 ZINC000420386617 296184258 /nfs/dbraw/zinc/18/42/58/296184258.db2.gz IWKKYHGWQHJSAJ-RTBURBONSA-N 2 0 320.452 2.977 20 0 DFADRP C[C@H]1C[C@H](CC[N@@H+]2CCC[C@@H](n3cc(C[NH3+])nn3)C2)C[C@@H](C)C1 ZINC000420389770 296184725 /nfs/dbraw/zinc/18/47/25/296184725.db2.gz YSXZDCUOAZCTGM-MUQADHOPSA-N 2 0 319.497 2.836 20 0 DFADRP [NH3+][C@@H]1CCO[C@H](C2CC[NH+](CCCOc3ccccc3)CC2)C1 ZINC000420388068 296184737 /nfs/dbraw/zinc/18/47/37/296184737.db2.gz KULJCCXBSUFVAU-MJGOQNOKSA-N 2 0 318.461 2.674 20 0 DFADRP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](CC(=O)NCCCC3CCCCC3)C[C@H]21 ZINC000342088558 284323659 /nfs/dbraw/zinc/32/36/59/284323659.db2.gz RFISHTQDZNOXTJ-KZNAEPCWSA-N 2 0 321.509 2.522 20 0 DFADRP O=C(CC[N@@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1)Nc1ccccc1F ZINC000420387759 296184375 /nfs/dbraw/zinc/18/43/75/296184375.db2.gz GNMYUXHSWXWYEV-RHSMWYFYSA-N 2 0 319.424 2.618 20 0 DFADRP C[C@H](c1cccc(Cl)c1)[N@@H+]1CCC[C@@H](n2cc(C[NH3+])nn2)C1 ZINC000420385697 296184382 /nfs/dbraw/zinc/18/43/82/296184382.db2.gz UEKKACCJSIYDRJ-MLGOLLRUSA-N 2 0 319.840 2.788 20 0 DFADRP COc1cccc([C@H](C)[NH+]2CCC([C@@H]3C[C@H]([NH3+])CCO3)CC2)c1 ZINC000420385726 296184526 /nfs/dbraw/zinc/18/45/26/296184526.db2.gz HWPBFAIMNZYPHK-YJLNNSPDSA-N 2 0 318.461 2.975 20 0 DFADRP CC[NH+]1CCC([NH2+]C[C@@H](C(=O)OC(C)(C)C)C2CCC2)CC1 ZINC000596114434 399178351 /nfs/dbraw/zinc/17/83/51/399178351.db2.gz CENZGXUBGJMNSC-MRXNPFEDSA-N 2 0 310.482 2.818 20 0 DFADRP C[C@H](Cc1cccc(Cl)c1)[NH2+]CCN1CCC([NH+](C)C)CC1 ZINC000282706387 217190993 /nfs/dbraw/zinc/19/09/93/217190993.db2.gz QNPFTSXILWVOEQ-OAHLLOKOSA-N 2 0 323.912 2.887 20 0 DFADRP [NH3+][C@@H]1CCO[C@@H](C2CC[NH+](CCCCC3CCOCC3)CC2)C1 ZINC000420393372 296185344 /nfs/dbraw/zinc/18/53/44/296185344.db2.gz QJBDVUYTPQUJIG-RTBURBONSA-N 2 0 324.509 2.802 20 0 DFADRP CC(C)(C)c1cccc(OCCC[N@@H+]2CCCO[C@@H](C[NH3+])C2)c1 ZINC000420388942 296184944 /nfs/dbraw/zinc/18/49/44/296184944.db2.gz LTFBMJQFVHLNJN-SFHVURJKSA-N 2 0 320.477 2.803 20 0 DFADRP O=C(CC[N@@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1)NCC1CCCCC1 ZINC000420395051 296185763 /nfs/dbraw/zinc/18/57/63/296185763.db2.gz KQGOFKQUOAHLOW-MSOLQXFVSA-N 2 0 321.509 2.537 20 0 DFADRP c1ccc(OCCOCC[N@@H+]2CCCC[C@@H]2[C@H]2CC[NH2+]C2)cc1 ZINC000420401706 296186569 /nfs/dbraw/zinc/18/65/69/296186569.db2.gz PRNVKJINXSQVRW-PKOBYXMFSA-N 2 0 318.461 2.546 20 0 DFADRP C[C@H]1CCN(Cc2nn(-c3ccccc3)c3c2CCC3)C[C@@H]1C[NH3+] ZINC000420415222 296187991 /nfs/dbraw/zinc/18/79/91/296187991.db2.gz UWXAYQIMCYYCCL-HOTGVXAUSA-N 2 0 324.472 2.778 20 0 DFADRP Fc1ccc([C@@H]2OCC[C@H]2[NH2+]CC[C@@H]2CCC[NH2+]C2)cc1F ZINC000420421931 296188304 /nfs/dbraw/zinc/18/83/04/296188304.db2.gz YZIZOBIRRGEBPA-VUCTXSBTSA-N 2 0 310.388 2.774 20 0 DFADRP C[NH+](C)Cc1ccccc1C(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000486985365 299435949 /nfs/dbraw/zinc/43/59/49/299435949.db2.gz IPUMMQZQODRCPI-UHFFFAOYSA-N 2 0 317.477 2.598 20 0 DFADRP CC[C@@H](C(=O)N[C@@H]1CC[N@@H+](C2CCCCC2)C1)[NH+](CC)CC ZINC000618661078 399200153 /nfs/dbraw/zinc/20/01/53/399200153.db2.gz NQHDJLGIFSBUKK-WBVHZDCISA-N 2 0 309.498 2.630 20 0 DFADRP CC[C@H]1C[N@H+](C)CCCN1C(=O)[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC000614331282 399209840 /nfs/dbraw/zinc/20/98/40/399209840.db2.gz PJXYWLCHEVHXIG-SJORKVTESA-N 2 0 321.509 2.584 20 0 DFADRP C[NH+]1CCN(CCC[NH2+]Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000020551658 182230967 /nfs/dbraw/zinc/23/09/67/182230967.db2.gz GPGANOATQLCARM-UHFFFAOYSA-N 2 0 316.276 2.721 20 0 DFADRP CCCC[NH+](CCCC)CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000064507952 399226936 /nfs/dbraw/zinc/22/69/36/399226936.db2.gz IJVKUYAWZHMECH-UHFFFAOYSA-N 2 0 309.498 2.632 20 0 DFADRP CC[C@@H]1CO[C@@H](C)C[N@@H+]1Cc1cccc(CN2CCOCC2)c1 ZINC000420909465 296210895 /nfs/dbraw/zinc/21/08/95/296210895.db2.gz YQKJEWOVLCTTLX-QFBILLFUSA-N 2 0 318.461 2.518 20 0 DFADRP O[C@H]1C[C@@H](C[N@@H+]2CC[C@]3(C2)CCC[NH+](Cc2ccccc2)C3)C1 ZINC000420915785 296211632 /nfs/dbraw/zinc/21/16/32/296211632.db2.gz MWADZHHAMQOWSA-HSALFYBXSA-N 2 0 314.473 2.745 20 0 DFADRP C[C@@H]1[C@H](C(=O)OC(C)(C)C)CCC[N@@H+]1CC[C@H]1CCC[NH+]1C ZINC000420922369 296212491 /nfs/dbraw/zinc/21/24/91/296212491.db2.gz FOWUQVUTJHSBRN-BZUAXINKSA-N 2 0 310.482 2.913 20 0 DFADRP C[N@H+](Cc1ccco1)Cc1ccccc1C[NH2+]Cc1cn[nH]c1 ZINC000608058633 399229764 /nfs/dbraw/zinc/22/97/64/399229764.db2.gz REKOOPZTFLTOJS-UHFFFAOYSA-N 2 0 310.401 2.925 20 0 DFADRP Cn1cc(Cl)c(CN2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)n1 ZINC000420933990 296214454 /nfs/dbraw/zinc/21/44/54/296214454.db2.gz JHNYCFLDLWLUPF-MLGOLLRUSA-N 2 0 308.857 2.522 20 0 DFADRP CCC[NH+]1CCC(N2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000022455837 182322174 /nfs/dbraw/zinc/32/21/74/182322174.db2.gz TXSFCQALYCCOKV-UHFFFAOYSA-N 2 0 301.478 2.679 20 0 DFADRP CO[C@@]1(C)CCC[N@H+](Cc2ccc(CN3CCOCC3)cc2)C1 ZINC000420964074 296218590 /nfs/dbraw/zinc/21/85/90/296218590.db2.gz NEQZOMFVZLGYEK-IBGZPJMESA-N 2 0 318.461 2.520 20 0 DFADRP CC(C)[NH+]1CCN(CCC[NH2+]C2(c3ccccc3)CC2)CC1 ZINC000283429902 217608681 /nfs/dbraw/zinc/60/86/81/217608681.db2.gz WVVVICVLSBSOHY-UHFFFAOYSA-N 2 0 301.478 2.681 20 0 DFADRP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(Oc3cnccn3)cc2)CC[N@@H+]1C ZINC000608385126 399258481 /nfs/dbraw/zinc/25/84/81/399258481.db2.gz IANAZUDJINLFFI-ZBFHGGJFSA-N 2 0 312.417 2.841 20 0 DFADRP C[C@@H]([NH2+]Cc1ccncc1OCC[NH+](C)C)c1cccs1 ZINC000343970032 284546561 /nfs/dbraw/zinc/54/65/61/284546561.db2.gz BXPFNPYCCQBFCU-CYBMUJFWSA-N 2 0 305.447 2.934 20 0 DFADRP COc1cc2c(c(C[NH2+]C3CCC([NH+](C)C)CC3)c1)O[C@H](C)C2 ZINC000421376538 296250348 /nfs/dbraw/zinc/25/03/48/296250348.db2.gz RHRXYFRMRJCCRB-NVPAJSRCSA-N 2 0 318.461 2.981 20 0 DFADRP C[NH+](C)C1CCC([NH2+]C2CCN(C(=O)CC(C)(C)C)CC2)CC1 ZINC000421375520 296250389 /nfs/dbraw/zinc/25/03/89/296250389.db2.gz QDPNXMKTJFLOEA-UHFFFAOYSA-N 2 0 323.525 2.876 20 0 DFADRP C[NH+](C)Cc1cccc(NC(=O)NCC2([NH3+])CCCCC2)c1 ZINC000623053511 399320197 /nfs/dbraw/zinc/32/01/97/399320197.db2.gz IANGVBOVMFLREQ-UHFFFAOYSA-N 2 0 304.438 2.531 20 0 DFADRP CN(CCC[NH2+]Cc1cccc(C(F)(F)F)c1)CC[NH+](C)C ZINC000623088450 399324736 /nfs/dbraw/zinc/32/47/36/399324736.db2.gz MQWNXAGSVMLNAQ-UHFFFAOYSA-N 2 0 317.399 2.679 20 0 DFADRP CN(CCC[NH2+][C@H]1CCC[C@H](c2cccnc2)C1)CC[NH+](C)C ZINC000623088049 399324787 /nfs/dbraw/zinc/32/47/87/399324787.db2.gz UEJPFFNVYZPJGG-HKUYNNGSSA-N 2 0 318.509 2.581 20 0 DFADRP CC1(C)CC[C@@H]1[NH2+]Cc1ccccc1C[N@@H+]1CCC[C@H]1CO ZINC000284411290 218017121 /nfs/dbraw/zinc/01/71/21/218017121.db2.gz QHMWUZNDQHBKDK-ROUUACIJSA-N 2 0 302.462 2.922 20 0 DFADRP c1cnn(CCCCC[NH+]2CCC(C[NH+]3CCCC3)CC2)c1 ZINC000104694759 194028240 /nfs/dbraw/zinc/02/82/40/194028240.db2.gz MCJRSHQOUQNMOH-UHFFFAOYSA-N 2 0 304.482 2.861 20 0 DFADRP CSc1ccc(C[NH+]2CCC(C[NH+]3CCOCC3)CC2)cc1 ZINC000051958720 425883806 /nfs/dbraw/zinc/88/38/06/425883806.db2.gz RPEYKLVJOCHLKE-UHFFFAOYSA-N 2 0 320.502 2.953 20 0 DFADRP CC(C)[NH+]1CCN([C@@H]2CC[N@H+](C[C@H](C)c3ccccc3)C2)CC1 ZINC000610250401 399350909 /nfs/dbraw/zinc/35/09/09/399350909.db2.gz DGSOEVRDJKVMEI-AZUAARDMSA-N 2 0 315.505 2.890 20 0 DFADRP C[C@H](C[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1)N1CCc2sccc2C1 ZINC000623347622 399368573 /nfs/dbraw/zinc/36/85/73/399368573.db2.gz GEAZEJPFWRCMEX-GDBMZVCRSA-N 2 0 321.534 2.957 20 0 DFADRP CCOc1ccccc1C[N@H+](C)CC1CC[NH+](C[C@@H](C)O)CC1 ZINC000105862272 194149891 /nfs/dbraw/zinc/14/98/91/194149891.db2.gz OVSDHQPBJSQJTH-MRXNPFEDSA-N 2 0 320.477 2.610 20 0 DFADRP C[N@@H+]1CC[C@@H]([NH2+]Cc2ccccc2Cn2ccnc2)CC1(C)C ZINC000623351623 399369786 /nfs/dbraw/zinc/36/97/86/399369786.db2.gz YGCSGDGJWIVXIR-GOSISDBHSA-N 3 0 312.461 2.894 20 0 DFADRP COc1ccc(OC)c(CC[NH2+][C@@H]2CC[N@H+](C)C(C)(C)C2)c1 ZINC000623379567 399376450 /nfs/dbraw/zinc/37/64/50/399376450.db2.gz YGPALQSYVQBJFK-OAHLLOKOSA-N 2 0 306.450 2.709 20 0 DFADRP C[C@H](O)C[NH+]1CCC(C[N@H+](C)Cc2ccc(Cl)cc2)CC1 ZINC000106126844 194188002 /nfs/dbraw/zinc/18/80/02/194188002.db2.gz WEVIMGZBGQHQDF-AWEZNQCLSA-N 2 0 310.869 2.865 20 0 DFADRP C[N@@H+]1CC[C@@H]([NH2+]CCNC(=O)CC2CCCCC2)CC1(C)C ZINC000623418452 399385414 /nfs/dbraw/zinc/38/54/14/399385414.db2.gz RFCMQHMUKVUNEW-MRXNPFEDSA-N 2 0 309.498 2.535 20 0 DFADRP C[C@@H]1C[NH+](CCCC[NH2+]Cc2cccc3n[nH]cc32)C[C@@H](C)O1 ZINC000623425314 399386670 /nfs/dbraw/zinc/38/66/70/399386670.db2.gz XWIIMHAJRQTTEE-HUUCEWRRSA-N 2 0 316.449 2.542 20 0 DFADRP Cc1cnn(C)c1C[NH2+]Cc1cccc(C[N@@H+](C)C(C)C)c1 ZINC000285334469 218385438 /nfs/dbraw/zinc/38/54/38/218385438.db2.gz CCWWXQXAPAQFMW-UHFFFAOYSA-N 2 0 300.450 2.859 20 0 DFADRP COc1ccccc1O[C@H](C)C[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623433536 399388931 /nfs/dbraw/zinc/38/89/31/399388931.db2.gz NWVDYTFPYHNPQE-HUUCEWRRSA-N 2 0 306.450 2.925 20 0 DFADRP C[N@@H+]1CC[C@H]([NH2+][C@@H]2CCN(c3ncccc3Cl)C2)CC1(C)C ZINC000623445945 399391757 /nfs/dbraw/zinc/39/17/57/399391757.db2.gz LADOBIVKJOTLOG-UONOGXRCSA-N 2 0 322.884 2.776 20 0 DFADRP c1csc(CC[NH2+]C2CC[NH+](CCc3ccccc3)CC2)n1 ZINC000268834608 207001505 /nfs/dbraw/zinc/00/15/05/207001505.db2.gz UBIKQNWIOXWHFX-UHFFFAOYSA-N 2 0 315.486 2.982 20 0 DFADRP CC(C)n1ncc2cc(C[N@@H+]3C[C@@H](C[NH3+])[C@H](C)C[C@H]3C)cnc21 ZINC000422559671 296312318 /nfs/dbraw/zinc/31/23/18/296312318.db2.gz DTBAFCKCCAQPMY-CKEIUWERSA-N 2 0 315.465 2.817 20 0 DFADRP CC(=O)N1CC[C@H]([NH2+][C@H]2CC[N@@H+](C)C(C)(C)C2)c2ccccc21 ZINC000623474925 399397552 /nfs/dbraw/zinc/39/75/52/399397552.db2.gz VNXKPGXFQYQQBG-RDJZCZTQSA-N 2 0 315.461 2.947 20 0 DFADRP C[C@@H]([NH2+][C@@H](C)c1cccc(OCC[NH+](C)C)c1)[C@H]1CCOC1 ZINC000268862326 207030667 /nfs/dbraw/zinc/03/06/67/207030667.db2.gz FLFUZMHOKSKVDT-UXLLHSPISA-N 2 0 306.450 2.703 20 0 DFADRP OC[C@H]1CCC[N@@H+]1CCCC[NH2+][C@H]1CCCc2ccccc21 ZINC000268904045 207072410 /nfs/dbraw/zinc/07/24/10/207072410.db2.gz LPLVAARMRVVVSL-MJGOQNOKSA-N 2 0 302.462 2.891 20 0 DFADRP C[N@@H+]1CC[C@@H]([NH2+][C@H]2CCCO[C@@H]2c2ccncc2)CC1(C)C ZINC000623499713 399402661 /nfs/dbraw/zinc/40/26/61/399402661.db2.gz NITNHOLHPUYSJE-IXDOHACOSA-N 2 0 303.450 2.764 20 0 DFADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@H](O)C(C)(C)C ZINC000268917592 207084967 /nfs/dbraw/zinc/08/49/67/207084967.db2.gz VHKFVJGMIJHKNT-NJAFHUGGSA-N 2 0 304.478 2.894 20 0 DFADRP CC[C@H](NC1CC[NH+](Cc2ccncc2)CC1)[C@@H]1CCCC[NH2+]1 ZINC000422687311 296317992 /nfs/dbraw/zinc/31/79/92/296317992.db2.gz BLSUVIORONYOGH-OALUTQOASA-N 2 0 316.493 2.556 20 0 DFADRP C[C@H](NCC(C)(C)[N@@H+]1CCc2ccccc2C1)[C@H]1CCC[NH2+]1 ZINC000422699051 296318277 /nfs/dbraw/zinc/31/82/77/296318277.db2.gz CHOCCBAGXKSAIT-MAUKXSAKSA-N 2 0 301.478 2.553 20 0 DFADRP C[N@@H+]1CC[C@H]([NH2+]C[C@@]2(O)CCC[C@@H](C(F)(F)F)C2)CC1(C)C ZINC000623502773 399403233 /nfs/dbraw/zinc/40/32/33/399403233.db2.gz ZZOACDWHTDFWTI-VNHYZAJKSA-N 2 0 322.415 2.932 20 0 DFADRP CC(C)(C[NH2+][C@@H]1CCCC[C@@H]1C[NH3+])N1CCc2ccccc2C1 ZINC000422703483 296318373 /nfs/dbraw/zinc/31/83/73/296318373.db2.gz NFDTVEJNPYFVRN-IEBWSBKVSA-N 2 0 315.505 2.930 20 0 DFADRP Cc1ccc(CC[NH2+][C@@H]2CCOC[C@@H]2[C@H]2CCC[NH2+]2)c(C)c1 ZINC000422706197 296318820 /nfs/dbraw/zinc/31/88/20/296318820.db2.gz SZNVNNYSVIZGMT-GUDVDZBRSA-N 2 0 302.462 2.593 20 0 DFADRP COc1ccccc1[C@@H](C[NH2+][C@H](C)CCC[NH3+])N1CCCCC1 ZINC000422706278 296319511 /nfs/dbraw/zinc/31/95/11/296319511.db2.gz DTZRZAUDISLDNN-SJLPKXTDSA-N 2 0 319.493 2.939 20 0 DFADRP CCOC(=O)C1([C@H](C)[NH2+]C[C@H]2CCCC[C@H]2C)CC[NH2+]CC1 ZINC000422706978 296319207 /nfs/dbraw/zinc/31/92/07/296319207.db2.gz VNDBVLPVBXLHJU-OWCLPIDISA-N 2 0 310.482 2.724 20 0 DFADRP [NH3+][C@@H]1CCCCC[C@H]1NC[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000422712326 296320184 /nfs/dbraw/zinc/32/01/84/296320184.db2.gz IISOJWCEBFWJGC-XUVXKRRUSA-N 2 0 315.505 2.801 20 0 DFADRP CC(C)N(C(=O)[C@H](C)[NH+]1CCC(CC[NH+](C)C)CC1)C(C)C ZINC000056524054 184015102 /nfs/dbraw/zinc/01/51/02/184015102.db2.gz HAZWHNRYFADUBC-INIZCTEOSA-N 2 0 311.514 2.684 20 0 DFADRP COc1ccccc1[C@H](C[NH2+][C@H](C)C[C@H](C)[NH3+])N1CCCCC1 ZINC000422709300 296319860 /nfs/dbraw/zinc/31/98/60/296319860.db2.gz KIBXIXCPUVAJQN-JZXOWHBKSA-N 2 0 319.493 2.938 20 0 DFADRP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]C[C@H](C)N1CCc2ccccc21 ZINC000422709728 296319909 /nfs/dbraw/zinc/31/99/09/296319909.db2.gz DVHOPVQZCUIBLY-ABSDTBQOSA-N 2 0 323.484 2.986 20 0 DFADRP C[C@H](C[NH2+][C@H]1CCCC[C@@H]1C[NH3+])N1CCc2sccc2C1 ZINC000422709118 296319946 /nfs/dbraw/zinc/31/99/46/296319946.db2.gz CUGLOVJQAQAQHI-FMKPAKJESA-N 2 0 307.507 2.602 20 0 DFADRP CCC(CC)[C@H](O)C[NH2+][C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422718882 296321026 /nfs/dbraw/zinc/32/10/26/296321026.db2.gz XXYMUPYPIALSBP-ZHALLVOQSA-N 2 0 318.461 2.629 20 0 DFADRP CC(C)[NH+]1CCC([N@H+](C)Cc2cccc3nsnc32)CC1 ZINC000268953003 207115834 /nfs/dbraw/zinc/11/58/34/207115834.db2.gz VWTBYNZQFBEKQH-UHFFFAOYSA-N 2 0 304.463 2.996 20 0 DFADRP CC[C@@H](NC[C@H](C)[N@@H+]1CCc2ccccc2C1)[C@@H]1CCC[NH2+]1 ZINC000422714529 296320631 /nfs/dbraw/zinc/32/06/31/296320631.db2.gz LAEUDFQBQBFEIS-IPELMVKDSA-N 2 0 301.478 2.553 20 0 DFADRP CC[C@H](NC[C@@H](c1ccc(F)cc1)[NH+](C)C)[C@@H]1CCCC[NH2+]1 ZINC000422716293 296320696 /nfs/dbraw/zinc/32/06/96/296320696.db2.gz UFFZFURMGWRBSO-BZSNNMDCSA-N 2 0 307.457 2.939 20 0 DFADRP C[N@@H+]1CC[C@@H]([NH2+][C@@H]2CCO[C@@H](c3ccccn3)C2)CC1(C)C ZINC000623541511 399412375 /nfs/dbraw/zinc/41/23/75/399412375.db2.gz NJIGCWMONPGGCM-BFYDXBDKSA-N 2 0 303.450 2.764 20 0 DFADRP Fc1ccc(CN2CCC([NH2+][C@@H]3CCC[NH2+]CC3)CC2)cc1 ZINC000422724192 296321855 /nfs/dbraw/zinc/32/18/55/296321855.db2.gz UVICAYGFLJDOJQ-QGZVFWFLSA-N 2 0 305.441 2.522 20 0 DFADRP Cc1ccc(C[C@H](CO)[NH2+][C@H]2CC[N@@H+](C)C(C)(C)C2)cc1C ZINC000623545046 399413033 /nfs/dbraw/zinc/41/30/33/399413033.db2.gz YMHCTCPEYZTJDK-ZWKOTPCHSA-N 2 0 304.478 2.669 20 0 DFADRP C[C@H](C[NH2+][C@H]1CCCCC[C@@H]1[NH3+])N1CCc2ccccc2C1 ZINC000422720765 296321278 /nfs/dbraw/zinc/32/12/78/296321278.db2.gz TWCKNILJWJPIRK-MNEFBYGVSA-N 2 0 301.478 2.683 20 0 DFADRP [NH3+]C[C@H]1CCC[C@H]1[NH2+]C1CCN(Cc2ccc(F)c(F)c2)CC1 ZINC000422721054 296321307 /nfs/dbraw/zinc/32/13/07/296321307.db2.gz NHQUZFJFZSQZDH-RDTXWAMCSA-N 2 0 323.431 2.646 20 0 DFADRP CCCc1ccc(C[NH2+][C@@H]2CCN(C3CC[NH+](C)CC3)C2)cc1 ZINC000602278717 399417879 /nfs/dbraw/zinc/41/78/79/399417879.db2.gz YUPYYQXJYIVPKF-LJQANCHMSA-N 2 0 315.505 2.897 20 0 DFADRP [NH3+]C[C@@H]1CCC[C@H]1[NH2+]C1CCN(Cc2ccc(F)cc2)CC1 ZINC000422725448 296322152 /nfs/dbraw/zinc/32/21/52/296322152.db2.gz YAQJEVBSMVYGNP-MAUKXSAKSA-N 2 0 305.441 2.507 20 0 DFADRP CCc1ccc([C@H](C[NH2+][C@@H]2CCCC[C@H]2C[NH3+])N(C)C)cc1 ZINC000422729471 296322712 /nfs/dbraw/zinc/32/27/12/296322712.db2.gz IDWGLGIKUQBFEL-OTWHNJEPSA-N 2 0 303.494 2.959 20 0 DFADRP C[N@@H+]1CC[C@H]([NH2+]C[C@@]2(C)COc3ccccc3O2)CC1(C)C ZINC000623594743 399424170 /nfs/dbraw/zinc/42/41/70/399424170.db2.gz HIEFQZQQTYJQIT-KSSFIOAISA-N 2 0 304.434 2.679 20 0 DFADRP CCOC(=O)C1([C@H](C)[NH2+][C@@H]2CC[C@H](C)C[C@@H]2C)CC[NH2+]CC1 ZINC000422729589 296322808 /nfs/dbraw/zinc/32/28/08/296322808.db2.gz KYCMLAYLODULQY-YHUYYLMFSA-N 2 0 310.482 2.722 20 0 DFADRP C[C@H]([NH3+])[C@H]1COCC[C@@H]1[NH2+]Cc1ccc(Cl)cc1Cl ZINC000422730817 296323114 /nfs/dbraw/zinc/32/31/14/296323114.db2.gz KLNCBNWGPUKXAG-BHYNMZESSA-N 2 0 303.233 2.835 20 0 DFADRP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]CCc1ccc2c(c1)CCO2 ZINC000422731885 296323183 /nfs/dbraw/zinc/32/31/83/296323183.db2.gz OFJQXSVEZGQDKQ-HNAYVOBHSA-N 2 0 310.441 2.712 20 0 DFADRP CC(C)[NH+]1CCC(O)(C[NH2+][C@@H](C)Cc2ccc(F)cc2)CC1 ZINC000268997847 207154430 /nfs/dbraw/zinc/15/44/30/207154430.db2.gz IMOFORLJXMOFSE-HNNXBMFYSA-N 2 0 308.441 2.582 20 0 DFADRP C[N@@H+]1CCCC[C@H](CNC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000623656494 399436557 /nfs/dbraw/zinc/43/65/57/399436557.db2.gz VJKLZAZKHDHVJD-LJQANCHMSA-N 2 0 315.505 2.973 20 0 DFADRP CC(C)(O)C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000269064914 207213531 /nfs/dbraw/zinc/21/35/31/207213531.db2.gz VJQWMRNORSHEAO-ROUUACIJSA-N 2 0 302.462 2.744 20 0 DFADRP COC(=O)c1cc(C[NH+]2CCC(C[N@H+](C)C(C)C)CC2)[nH]c1C ZINC000602447438 399447039 /nfs/dbraw/zinc/44/70/39/399447039.db2.gz GIPAMOXGNKMBFG-UHFFFAOYSA-N 2 0 321.465 2.662 20 0 DFADRP CCO[C@@H](CC[NH+](C)C)C[NH2+][C@@H](C)c1ccc(OC)c(OC)c1 ZINC000269073039 207221161 /nfs/dbraw/zinc/22/11/61/207221161.db2.gz NDBCLUADJPFNPN-HOCLYGCPSA-N 2 0 324.465 2.711 20 0 DFADRP C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1[NH2+]Cc1ccc(OCC[NH+](C)C)cc1 ZINC000623723959 399451566 /nfs/dbraw/zinc/45/15/66/399451566.db2.gz LYFYZMDXCQCZEA-BASYENTBSA-N 2 0 306.450 2.529 20 0 DFADRP COC(=O)c1csc(C[N@@H+]2CCC[C@H]2Cn2ccnc2C)c1 ZINC000602487280 399459977 /nfs/dbraw/zinc/45/99/77/399459977.db2.gz YSPNBKRLFHOQIA-AWEZNQCLSA-N 2 0 319.430 2.704 20 0 DFADRP COC(=O)c1csc(CN2CC[C@@H](C[NH+]3CCCCC3)C2)c1 ZINC000602475807 399455044 /nfs/dbraw/zinc/45/50/44/399455044.db2.gz KUXYLTHFNUVUBV-AWEZNQCLSA-N 2 0 322.474 2.843 20 0 DFADRP CC[N@@H+]1CC[C@H](N(C)Cc2cc(C(=O)OC)cs2)[C@H](C)C1 ZINC000602475644 399455133 /nfs/dbraw/zinc/45/51/33/399455133.db2.gz LXTBOYWVYDEJDH-DOMZBBRYSA-N 2 0 310.463 2.697 20 0 DFADRP COC(=O)c1[nH]c(C[NH2+]CCCC[N@@H+]2CCCC[C@@H]2C)cc1C ZINC000602513760 399465466 /nfs/dbraw/zinc/46/54/66/399465466.db2.gz CPLLFUAPDISHEQ-HNNXBMFYSA-N 2 0 321.465 2.854 20 0 DFADRP COc1ccccc1/C=C\C[NH+]1CCC(OCCC[NH3+])CC1 ZINC000346677682 284922114 /nfs/dbraw/zinc/92/21/14/284922114.db2.gz KXHDKKMNOHUGIG-DAXSKMNVSA-N 2 0 304.434 2.538 20 0 DFADRP CCOC(=O)c1ccc(C[NH2+]CCCC[N@@H+]2CCCC[C@H]2C)[nH]1 ZINC000602515843 399465916 /nfs/dbraw/zinc/46/59/16/399465916.db2.gz ZRXGFWRXHVVFOD-OAHLLOKOSA-N 2 0 321.465 2.936 20 0 DFADRP COc1ccc([C@H](C)C[NH+]2CCC(OCCC[NH3+])CC2)cc1 ZINC000346692765 284927172 /nfs/dbraw/zinc/92/71/72/284927172.db2.gz ITLCVOKANRYVOG-OAHLLOKOSA-N 2 0 306.450 2.629 20 0 DFADRP C[NH+]1CCC(CC[NH2+][C@H]2CCN[C@@H](c3ccccc3)C2)CC1 ZINC000422742245 296324500 /nfs/dbraw/zinc/32/45/00/296324500.db2.gz PUEDPSQZTYWLHA-RBUKOAKNSA-N 2 0 301.478 2.801 20 0 DFADRP C[C@H](c1ccccc1)[N@@H+]1CC[C@H](N[C@@H](C)c2c[nH+]ccc2N)C1 ZINC000422741141 296324456 /nfs/dbraw/zinc/32/44/56/296324456.db2.gz OFTQZHCPXNWHIN-UXLLHSPISA-N 2 0 310.445 2.980 20 0 DFADRP CC[C@@H](NC[C@H](c1ccccc1)[NH+]1CCCC1)[C@@H]1CCC[NH2+]1 ZINC000422735798 296323697 /nfs/dbraw/zinc/32/36/97/296323697.db2.gz WRXKMUUJWYAJBE-CEXWTWQISA-N 2 0 301.478 2.944 20 0 DFADRP CC(C)[N@@H+]1CCC[C@H](CN[C@@H](Cc2ccccc2)[C@H](C)[NH3+])C1 ZINC000422737170 296323836 /nfs/dbraw/zinc/32/38/36/296323836.db2.gz HTHPVWXBKKSOJW-UHOSZYNNSA-N 2 0 303.494 2.655 20 0 DFADRP C[C@H](C[NH2+][C@@H]1CCOC[C@@H]1[C@@H]1CCC[NH2+]1)c1ccc(F)cc1 ZINC000422735511 296323864 /nfs/dbraw/zinc/32/38/64/296323864.db2.gz DZZJAKFGCCPALP-NKGKWGDASA-N 2 0 306.425 2.676 20 0 DFADRP CC[N@@H+]1CCC[C@H](N[C@H](c2ccc(OC)cc2)[C@H]2CCC[NH2+]2)C1 ZINC000422738521 296323994 /nfs/dbraw/zinc/32/39/94/296323994.db2.gz JOBAXRSLEQYDAQ-QXAKKESOSA-N 2 0 317.477 2.562 20 0 DFADRP c1ccc2c(c1)O[C@@]1(CC[NH2+]C1)C[C@H]2[NH2+]CCC1CCOCC1 ZINC000422739104 296324161 /nfs/dbraw/zinc/32/41/61/296324161.db2.gz ZWDDUSGDTJXOKR-MJGOQNOKSA-N 2 0 316.445 2.649 20 0 DFADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]C[C@H](c1c(F)cccc1F)N(C)C ZINC000422743019 296325057 /nfs/dbraw/zinc/32/50/57/296325057.db2.gz HRIWUIGQFGASDK-DAXOMENPSA-N 2 0 311.420 2.545 20 0 DFADRP CC1CC[NH+]([C@H](CN[C@@H]2CCC[C@H]2[NH3+])c2ccccc2)CC1 ZINC000422745459 296325231 /nfs/dbraw/zinc/32/52/31/296325231.db2.gz XTORXNAOPKOAJT-GUDVDZBRSA-N 2 0 301.478 2.929 20 0 DFADRP C[C@H](N[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1)[C@H]1CCCC[NH2+]1 ZINC000422740773 296324509 /nfs/dbraw/zinc/32/45/09/296324509.db2.gz NEAVPSSHOBPAGI-RNIPGJKVSA-N 2 0 301.478 2.942 20 0 DFADRP C[C@H](N[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1)c1c[nH+]ccc1N ZINC000422741142 296324573 /nfs/dbraw/zinc/32/45/73/296324573.db2.gz OFTQZHCPXNWHIN-YQQAZPJKSA-N 2 0 310.445 2.980 20 0 DFADRP CCC[NH+]1CCC(C[NH2+][C@H](Cc2ccccc2)[C@@H](C)[NH3+])CC1 ZINC000422746724 296325693 /nfs/dbraw/zinc/32/56/93/296325693.db2.gz XBAWSEZKNDABCD-VQIMIIECSA-N 3 0 303.494 2.657 20 0 DFADRP COc1ccccc1[C@@H](C[NH2+]C1CCC([NH3+])CC1)N1CCCC1 ZINC000422745316 296325263 /nfs/dbraw/zinc/32/52/63/296325263.db2.gz MATXUBPHNVSZCO-LEOMRAHMSA-N 2 0 317.477 2.692 20 0 DFADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]C[C@@H]1CCCN1Cc1ccccc1 ZINC000422744904 296325351 /nfs/dbraw/zinc/32/53/51/296325351.db2.gz UIUABUGEFUMQGR-NZSAHSFTSA-N 2 0 301.478 2.629 20 0 DFADRP CC[C@H](N[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1)[C@@H]1CCC[NH2+]1 ZINC000422745660 296325393 /nfs/dbraw/zinc/32/53/93/296325393.db2.gz VKMFMCAWJTWHQW-NQYYFHDYSA-N 2 0 301.478 2.942 20 0 DFADRP Cc1nc2ccccc2n1CCC[NH2+][C@@H]1CCCCC[C@@H]1[NH3+] ZINC000422749679 296326059 /nfs/dbraw/zinc/32/60/59/296326059.db2.gz ALQZQIBYKBLLAZ-JKSUJKDBSA-N 2 0 300.450 2.984 20 0 DFADRP CSCCCC[NH2+][C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422750541 296326092 /nfs/dbraw/zinc/32/60/92/296326092.db2.gz DGACYOMBDXYFEI-WBVHZDCISA-N 2 0 306.475 2.975 20 0 DFADRP COc1ccccc1[C@@H](C[NH2+][C@H](C)CCC[NH3+])N1CCCC1 ZINC000422749108 296326094 /nfs/dbraw/zinc/32/60/94/296326094.db2.gz XPFVOUJPHXVGHM-NVXWUHKLSA-N 2 0 305.466 2.549 20 0 DFADRP COc1ccccc1[C@H](C[NH2+][C@H](C)C[C@H](C)[NH3+])N1CCCC1 ZINC000422749005 296326296 /nfs/dbraw/zinc/32/62/96/296326296.db2.gz WZUOCZKPQBWKPK-UXLLHSPISA-N 2 0 305.466 2.548 20 0 DFADRP CCOC(=O)C1([C@@H](C)[NH2+][C@@H](C)c2cccs2)CC[NH2+]CC1 ZINC000422751381 296326418 /nfs/dbraw/zinc/32/64/18/296326418.db2.gz CMRGOEQZSQGTRX-QWHCGFSZSA-N 2 0 310.463 2.720 20 0 DFADRP C[C@H]([NH2+][C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)c1cccnc1 ZINC000422754038 296326881 /nfs/dbraw/zinc/32/68/81/296326881.db2.gz DJUSVIPXPAZHIT-FNHZYXHNSA-N 2 0 309.413 2.988 20 0 DFADRP C[C@@H]([NH2+]CC1(c2ccc(F)cc2)CCOCC1)[C@@H]1CCC[NH2+]1 ZINC000422761068 296328372 /nfs/dbraw/zinc/32/83/72/296328372.db2.gz MICSYPPEYRLXOX-PBHICJAKSA-N 2 0 306.425 2.604 20 0 DFADRP C[C@H]([NH2+]CC1(c2ccc(F)cc2)CCOCC1)[C@H]1CCC[NH2+]1 ZINC000422761070 296328477 /nfs/dbraw/zinc/32/84/77/296328477.db2.gz MICSYPPEYRLXOX-WMLDXEAASA-N 2 0 306.425 2.604 20 0 DFADRP Clc1cccc(CC[NH2+][C@@H]2CCOC[C@@H]2[C@@H]2CCC[NH2+]2)c1 ZINC000422763299 296328710 /nfs/dbraw/zinc/32/87/10/296328710.db2.gz NDWGGLYIIGNCLX-IXDOHACOSA-N 2 0 308.853 2.629 20 0 DFADRP C[C@H](COc1ccccc1C(F)(F)F)[NH2+][C@@H](C)C1C[NH2+]C1 ZINC000422763250 296328845 /nfs/dbraw/zinc/32/88/45/296328845.db2.gz OQONHXCWSCTAOT-MNOVXSKESA-N 2 0 302.340 2.670 20 0 DFADRP COc1cccc([C@@H](C[NH2+][C@@H](C)CCC[NH3+])N2CCCC2)c1 ZINC000422763080 296328851 /nfs/dbraw/zinc/32/88/51/296328851.db2.gz OMFAXGABYPXDSB-MAUKXSAKSA-N 2 0 305.466 2.549 20 0 DFADRP [NH3+][C@H]1CCC[C@H]1[NH2+]CC1(c2cccc(Cl)c2)CCOCC1 ZINC000422762997 296328871 /nfs/dbraw/zinc/32/88/71/296328871.db2.gz OHWHDMSXRZNWAE-JKSUJKDBSA-N 2 0 308.853 2.858 20 0 DFADRP C[C@H](C[C@H](C)[NH3+])[NH2+][C@@H]1CCN(c2ccccc2OC(F)F)C1 ZINC000422762364 296328908 /nfs/dbraw/zinc/32/89/08/296328908.db2.gz NRBQXNSBKGLZIX-YNEHKIRRSA-N 2 0 313.392 2.582 20 0 DFADRP CC(C)(C)C[C@H](O)C[NH2+][C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422767052 296329486 /nfs/dbraw/zinc/32/94/86/296329486.db2.gz SDTWHBUCESZYIV-GMBSWORKSA-N 2 0 318.461 2.629 20 0 DFADRP C[C@@H]([NH3+])[C@@H](Cc1ccccc1)NCC1([NH+](C)C)CCCCC1 ZINC000422767152 296329559 /nfs/dbraw/zinc/32/95/59/296329559.db2.gz YERGWPKUCSBTKQ-SJLPKXTDSA-N 2 0 303.494 2.799 20 0 DFADRP [NH3+][C@H]1C[C@@H]([NH2+]CCCN2CCCCCC2=O)c2ccccc21 ZINC000422768212 296330018 /nfs/dbraw/zinc/33/00/18/296330018.db2.gz ZEWRXRNHUGUJMO-DLBZAZTESA-N 2 0 301.434 2.514 20 0 DFADRP CCOC(=O)C1([C@H](C)[NH2+]C2C[C@@H](C)C[C@H](C)C2)CC[NH2+]CC1 ZINC000422774485 296331084 /nfs/dbraw/zinc/33/10/84/296331084.db2.gz XEYINLFXGKCZQN-KKUMJFAQSA-N 2 0 310.482 2.722 20 0 DFADRP C[C@@H]([NH2+]CCCOc1ccc(Cl)cc1Cl)C1C[NH2+]C1 ZINC000422778230 296331383 /nfs/dbraw/zinc/33/13/83/296331383.db2.gz GXCKAZZZRAHYIM-SNVBAGLBSA-N 2 0 303.233 2.960 20 0 DFADRP CCOc1cc2c(cc1C[NH2+][C@@H]1CCC[C@H]1C[NH3+])O[C@H](C)C2 ZINC000422778026 296331526 /nfs/dbraw/zinc/33/15/26/296331526.db2.gz GWRCEGGIEPSLAP-DVOMOZLQSA-N 2 0 304.434 2.626 20 0 DFADRP CCOc1cc2c(cc1C[NH2+][C@@H]1CCC[C@@H]1C[NH3+])O[C@@H](C)C2 ZINC000422778028 296331556 /nfs/dbraw/zinc/33/15/56/296331556.db2.gz GWRCEGGIEPSLAP-WOSRLPQWSA-N 2 0 304.434 2.626 20 0 DFADRP [NH3+]C[C@@H]1CCC[C@H]1[NH2+]Cc1ccccc1C[NH+]1CCCCC1 ZINC000422782576 296331799 /nfs/dbraw/zinc/33/17/99/296331799.db2.gz GROTUZGQZVRMKX-QFBILLFUSA-N 3 0 301.478 2.890 20 0 DFADRP CCO[C@@H]1C[C@@H]([NH2+][C@H](C)c2ccc(C[NH3+])nc2C)C12CCC2 ZINC000422783253 296332444 /nfs/dbraw/zinc/33/24/44/296332444.db2.gz NXFDXNWKPJHQTK-KBRIMQKVSA-N 2 0 303.450 2.847 20 0 DFADRP CCO[C@@H]1C[C@H]([NH2+][C@@H](Cc2ccccc2)[C@H](C)[NH3+])C12CCC2 ZINC000422787269 296332725 /nfs/dbraw/zinc/33/27/25/296332725.db2.gz UKZQGDFIXIEXPT-LEUOFYLZSA-N 2 0 302.462 2.882 20 0 DFADRP C[C@@H]([NH2+]Cc1ccccc1C[NH+]1CCCCC1)[C@@H]1CC[NH2+]C1 ZINC000422788414 296333025 /nfs/dbraw/zinc/33/30/25/296333025.db2.gz NKBRBBDWKJHRAF-IAGOWNOFSA-N 3 0 301.478 2.760 20 0 DFADRP CCC[C@@H](C(=O)NC[C@H]([NH3+])c1ccc(C(C)C)cc1)[NH+](C)C ZINC000422792310 296333652 /nfs/dbraw/zinc/33/36/52/296333652.db2.gz DIHREUNQBMQPDK-IRXDYDNUSA-N 2 0 305.466 2.656 20 0 DFADRP COc1ccc(OCC[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)cc1 ZINC000422791509 296333827 /nfs/dbraw/zinc/33/38/27/296333827.db2.gz QGJGMLLCQZHODT-GBESFXJTSA-N 2 0 318.461 2.974 20 0 DFADRP C[C@@H]1CC[NH2+]C[C@@H]1NCc1ccccc1C[NH+]1CCCCC1 ZINC000422793810 296334040 /nfs/dbraw/zinc/33/40/40/296334040.db2.gz SWEMCLDXIGZLIZ-APWZRJJASA-N 2 0 301.478 2.760 20 0 DFADRP C[C@H](C[NH2+][C@@H]1CCC[C@@H]1[NH3+])Oc1ccc(Br)cc1 ZINC000422794476 296334233 /nfs/dbraw/zinc/33/42/33/296334233.db2.gz GTFSZPWEEJPQNJ-DDTOSNHZSA-N 2 0 313.239 2.686 20 0 DFADRP COc1cccc(O[C@H](C)C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)c1 ZINC000422795477 296334478 /nfs/dbraw/zinc/33/44/78/296334478.db2.gz VRDCSKMZVNRKGH-UTRMSSBJSA-N 2 0 318.461 2.973 20 0 DFADRP CC[NH+](CC)[C@H](CN[C@H](C)[C@H]1CC[NH2+]C1)c1cccc(OC)c1 ZINC000422797435 296334696 /nfs/dbraw/zinc/33/46/96/296334696.db2.gz MNDCWTLCRJXIHQ-HHXXYDBFSA-N 2 0 319.493 2.666 20 0 DFADRP CC(C)c1ccc([C@H]([NH3+])CNC(=O)C23CCC[NH+]2CCC3)cc1 ZINC000422797545 296334722 /nfs/dbraw/zinc/33/47/22/296334722.db2.gz NFXIPUGYVCDGCA-QGZVFWFLSA-N 2 0 315.461 2.554 20 0 DFADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]CCc1ccn(-c2ccc(F)cc2)n1 ZINC000422796934 296334766 /nfs/dbraw/zinc/33/47/66/296334766.db2.gz ZMSWPUKTKHCXAE-KDOFPFPSSA-N 2 0 316.424 2.532 20 0 DFADRP CC[C@@H]1Oc2cc([C@H](C)[NH2+]C3CCC([NH3+])CC3)ccc2NC1=O ZINC000422802155 296335522 /nfs/dbraw/zinc/33/55/22/296335522.db2.gz BAGWBYKGVLUGSL-MEDBZGDMSA-N 2 0 317.433 2.717 20 0 DFADRP CC[NH+](CC)[C@H](CN[C@@H](C)[C@@H]1CC[NH2+]C1)c1cccc(OC)c1 ZINC000422797436 296334789 /nfs/dbraw/zinc/33/47/89/296334789.db2.gz MNDCWTLCRJXIHQ-KVSKMBFKSA-N 2 0 319.493 2.666 20 0 DFADRP CC[C@H](CN[C@H](C)[C@H]1CCC[NH2+]1)[N@@H+]1CCc2ccccc2C1 ZINC000422801464 296335685 /nfs/dbraw/zinc/33/56/85/296335685.db2.gz BZKJSABIYSSHRS-ATZDWAIDSA-N 2 0 301.478 2.553 20 0 DFADRP c1cn(Cc2ccccc2C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)cn1 ZINC000422803955 296335904 /nfs/dbraw/zinc/33/59/04/296335904.db2.gz DRMNARZRDWGDTD-HSALFYBXSA-N 2 0 324.472 2.942 20 0 DFADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]Cc1cccc(C[NH+]2CCCC2)c1 ZINC000422804959 296336272 /nfs/dbraw/zinc/33/62/72/296336272.db2.gz IOLFSMTWIQUYHH-VQIMIIECSA-N 3 0 301.478 2.760 20 0 DFADRP C[C@H](NCc1cccc(C[NH+]2CCCC2)c1)c1c[nH+]ccc1N ZINC000422810649 296337196 /nfs/dbraw/zinc/33/71/96/296337196.db2.gz SAYQVCUFYGEHPL-HNNXBMFYSA-N 2 0 310.445 2.941 20 0 DFADRP C[C@@H](CCCC[NH3+])[NH2+][C@H](c1nccn1C)c1cccc(F)c1 ZINC000422810544 296337253 /nfs/dbraw/zinc/33/72/53/296337253.db2.gz NONFKCVVQAKJDP-BBRMVZONSA-N 2 0 304.413 2.756 20 0 DFADRP C[C@H]([NH3+])C[C@H](C)[NH2+]Cc1ccc(C[NH+]2C[C@H](C)O[C@@H](C)C2)cc1 ZINC000422814512 296337900 /nfs/dbraw/zinc/33/79/00/296337900.db2.gz VFZBGHGTTVAEEM-QAETUUGQSA-N 3 0 319.493 2.511 20 0 DFADRP C[C@H]([NH3+])C[C@H](C)[NH2+]Cc1ccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000422814510 296337971 /nfs/dbraw/zinc/33/79/71/296337971.db2.gz VFZBGHGTTVAEEM-LUKYLMHMSA-N 3 0 319.493 2.511 20 0 DFADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]C[C@@H](c1ccsc1)N(C)C ZINC000422812082 296337565 /nfs/dbraw/zinc/33/75/65/296337565.db2.gz XEKPAFDKASUGDL-SJCJKPOMSA-N 2 0 318.490 2.864 20 0 DFADRP C[C@H](CCCC[NH3+])[NH2+]CCC1CCN(CC(F)(F)F)CC1 ZINC000422820159 296338965 /nfs/dbraw/zinc/33/89/65/296338965.db2.gz PFHPDHUACDOYLQ-CYBMUJFWSA-N 2 0 309.420 2.758 20 0 DFADRP C[C@H]([NH3+])[C@@H]1COCC[C@H]1[NH2+]CC(C)(C)c1cccc(Cl)c1 ZINC000422818668 296338977 /nfs/dbraw/zinc/33/89/77/296338977.db2.gz GVPIVWOXBLPBOQ-VBNZEHGJSA-N 2 0 310.869 2.960 20 0 DFADRP CC(C)c1ccc([C@@H](C)[N@@H+]2CC[C@H](n3cc(C[NH3+])nn3)C2)cc1 ZINC000631844721 399506471 /nfs/dbraw/zinc/50/64/71/399506471.db2.gz LRNGSDNGVNDCQL-KDOFPFPSSA-N 2 0 313.449 2.868 20 0 DFADRP COCCCCC[NH2+][C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422819448 296339148 /nfs/dbraw/zinc/33/91/48/296339148.db2.gz IHHHFGYVFFHYND-AEFFLSMTSA-N 2 0 304.434 2.649 20 0 DFADRP FC(F)(F)[C@@H]1CCC[C@H]([NH2+][C@@H]2CCOC[C@@H]2[C@@H]2CCC[NH2+]2)C1 ZINC000422821720 296339252 /nfs/dbraw/zinc/33/92/52/296339252.db2.gz YAKYKTXQMJMELB-QKGCVVFFSA-N 2 0 320.399 2.854 20 0 DFADRP c1c(CC[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)nc2ccccn12 ZINC000422815819 296338457 /nfs/dbraw/zinc/33/84/57/296338457.db2.gz CNNWRQAYQFVDTR-OKZBNKHCSA-N 2 0 312.461 2.777 20 0 DFADRP CCC[N@H+](CC)CCN[C@@H](c1ccc(OC)cc1)[C@H]1CCC[NH2+]1 ZINC000422816886 296338618 /nfs/dbraw/zinc/33/86/18/296338618.db2.gz BPASBJLEQWZPEJ-MOPGFXCFSA-N 2 0 319.493 2.810 20 0 DFADRP [NH3+]C[C@H]1CCC[C@@H]1[NH2+]Cc1ccc(COCC(F)(F)F)cc1 ZINC000422826653 296339984 /nfs/dbraw/zinc/33/99/84/296339984.db2.gz RGHGLWHZVVWDTG-CABCVRRESA-N 2 0 316.367 2.983 20 0 DFADRP CC[C@@H]([NH2+]CCc1ccc(-n2cccn2)cc1)[C@H]1CCCC[NH2+]1 ZINC000422829799 296340750 /nfs/dbraw/zinc/34/07/50/296340750.db2.gz UWXXQCMQLPHYAP-RTBURBONSA-N 2 0 312.461 2.925 20 0 DFADRP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)N(CC[NH+](C)C)C1CCCCC1 ZINC000347012200 285001897 /nfs/dbraw/zinc/00/18/97/285001897.db2.gz VDCQQWIBIPPGKP-HZPDHXFCSA-N 2 0 309.498 2.582 20 0 DFADRP CC[NH+](CC)[C@@H](CN[C@H](C)[C@@H]1CCC[NH2+]1)Cc1ccccc1 ZINC000422828728 296340601 /nfs/dbraw/zinc/34/06/01/296340601.db2.gz GPKJUCMUMGBEJP-QRQLOZEOSA-N 2 0 303.494 2.670 20 0 DFADRP c1csc(CC[NH2+][C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)n1 ZINC000422839587 296342347 /nfs/dbraw/zinc/34/23/47/296342347.db2.gz QTQKGDKNZSGTHX-RHSMWYFYSA-N 2 0 315.442 2.531 20 0 DFADRP COc1ccccc1N1CCC([NH2+][C@H]2CC[NH2+]CC[C@H]2C)CC1 ZINC000422839650 296342397 /nfs/dbraw/zinc/34/23/97/296342397.db2.gz RCKLAPBYBLSZMC-WBVHZDCISA-N 2 0 317.477 2.642 20 0 DFADRP CC[NH+](CC)[C@H](CN[C@@H]1CC[NH2+]CC[C@@H]1C)Cc1ccccc1 ZINC000422832872 296341538 /nfs/dbraw/zinc/34/15/38/296341538.db2.gz LMEBSIPEUGATHE-YSIASYRMSA-N 2 0 317.521 2.917 20 0 DFADRP C[C@@H](NC[C@H]1CCC[N@H+](Cc2cccs2)C1)[C@H]1CCC[NH2+]1 ZINC000422834944 296341729 /nfs/dbraw/zinc/34/17/29/296341729.db2.gz HZWQVDBPUJQBGD-BFYDXBDKSA-N 2 0 307.507 2.690 20 0 DFADRP C[C@H]([NH3+])[C@H]1COCC[C@H]1[NH2+]CC1(c2ccc(F)cc2)CCC1 ZINC000422841416 296342604 /nfs/dbraw/zinc/34/26/04/296342604.db2.gz CYNDZILFAMIEIM-IAOVAPTHSA-N 2 0 306.425 2.589 20 0 DFADRP Cc1nn(-c2ccc(F)cc2)cc1C[NH2+][C@@H]1CC[NH2+]CC[C@H]1C ZINC000422840624 296342695 /nfs/dbraw/zinc/34/26/95/296342695.db2.gz BVTRKSLMIHUSBA-FZKQIMNGSA-N 2 0 316.424 2.798 20 0 DFADRP COc1ccccc1N1CCC([NH2+][C@H]2CCCCC[C@@H]2[NH3+])CC1 ZINC000422841369 296342815 /nfs/dbraw/zinc/34/28/15/296342815.db2.gz VVNOHTOIDGERQZ-IRXDYDNUSA-N 2 0 317.477 2.914 20 0 DFADRP Cc1ccc(C[NH2+][C@H](C)C[C@H](C)[NH3+])c(OC[C@@H]2CCOC2)c1 ZINC000422849198 296344489 /nfs/dbraw/zinc/34/44/89/296344489.db2.gz BNTUJVVDSHSBNT-ARFHVFGLSA-N 2 0 306.450 2.626 20 0 DFADRP COC[C@H](CCC[NH3+])[NH2+]Cc1ccc(Oc2ccccc2)nc1 ZINC000422850496 296344557 /nfs/dbraw/zinc/34/45/57/296344557.db2.gz VXAQDDRWYNLCAL-INIZCTEOSA-N 2 0 315.417 2.717 20 0 DFADRP COc1ccccc1N1CC[C@H](C[NH2+][C@@H]2CCCC[C@@H]2C[NH3+])C1 ZINC000422845260 296343737 /nfs/dbraw/zinc/34/37/37/296343737.db2.gz BINCSMNCIKANCY-BRWVUGGUSA-N 2 0 317.477 2.629 20 0 DFADRP C[C@H]([NH2+]Cc1ccc(C[N@@H+]2CCCC[C@H]2C)cc1)C1C[NH2+]C1 ZINC000422853429 296345230 /nfs/dbraw/zinc/34/52/30/296345230.db2.gz BTTGEPYYHFLQAN-CVEARBPZSA-N 3 0 301.478 2.759 20 0 DFADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccnc(OCC(F)(F)F)c1 ZINC000422854023 296345309 /nfs/dbraw/zinc/34/53/09/296345309.db2.gz CITRNHJRNBHXJV-STQMWFEESA-N 2 0 317.355 2.630 20 0 DFADRP C[C@H](CCCC[NH3+])[NH2+]C1CCN(C(=O)c2ccccc2F)CC1 ZINC000422854859 296345573 /nfs/dbraw/zinc/34/55/73/296345573.db2.gz DFODKCFFXVWVJX-CQSZACIVSA-N 2 0 321.440 2.537 20 0 DFADRP C[C@H]([NH3+])[C@H]1COCC[C@H]1[NH2+]Cc1ccc(F)cc1C(F)(F)F ZINC000422852796 296345010 /nfs/dbraw/zinc/34/50/10/296345010.db2.gz BIIVWVOSCQUFRA-MRCXROJRSA-N 2 0 320.330 2.686 20 0 DFADRP COC[C@H](CCC[NH3+])[NH2+][C@@H](C)c1ccc(-n2ccnc2C)cc1 ZINC000422867045 296346936 /nfs/dbraw/zinc/34/69/36/296346936.db2.gz RMCZKUHTADMORI-YOEHRIQHSA-N 2 0 316.449 2.585 20 0 DFADRP CCOCCOCc1cccc(C[NH2+][C@@H]2CC[NH2+]CC[C@@H]2C)c1 ZINC000422858530 296345924 /nfs/dbraw/zinc/34/59/24/296345924.db2.gz IWUCVOGPFMXSJA-QFBILLFUSA-N 2 0 320.477 2.717 20 0 DFADRP C[C@@H]1CCC[N@H+](CCN[C@@H]2CC[NH2+][C@H](c3ccccc3)C2)C1 ZINC000422860045 296346040 /nfs/dbraw/zinc/34/60/40/296346040.db2.gz KYPYJLGANPPQPC-QRQLOZEOSA-N 2 0 301.478 2.801 20 0 DFADRP Cc1c(Cl)cccc1NC(=O)CC[NH2+][C@H](C)[C@H]1CC[NH2+]C1 ZINC000422859639 296346232 /nfs/dbraw/zinc/34/62/32/296346232.db2.gz KOCYLIPBYKPGCT-OLZOCXBDSA-N 2 0 309.841 2.565 20 0 DFADRP COC[C@H](CCC[NH3+])[NH2+]Cc1ccc(F)cc1CSC ZINC000422860068 296346238 /nfs/dbraw/zinc/34/62/38/296346238.db2.gz HWAOVWVVEQGNBH-HNNXBMFYSA-N 2 0 300.443 2.532 20 0 DFADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+][C@H]1CCN(c2c(F)cccc2F)C1 ZINC000422871237 296347939 /nfs/dbraw/zinc/34/79/39/296347939.db2.gz YLQLBTPOQZUZPL-WWGRRREGSA-N 2 0 309.404 2.521 20 0 DFADRP C[C@@H]1CCC[N@H+](Cc2ccc(CN[C@@H]3CCC[C@@H]3[NH3+])cc2)C1 ZINC000422868740 296347346 /nfs/dbraw/zinc/34/73/46/296347346.db2.gz VTWLPEVIWCDYSG-AYOQOUSVSA-N 2 0 301.478 2.888 20 0 DFADRP COc1cc2[nH]c(CCC[NH2+][C@H](C)CCC[NH3+])cc2c(OC)c1 ZINC000422869339 296347631 /nfs/dbraw/zinc/34/76/31/296347631.db2.gz WGDGQEWPYNVAHX-CYBMUJFWSA-N 2 0 319.449 2.835 20 0 DFADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCN[C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)C1 ZINC000422878074 296349104 /nfs/dbraw/zinc/34/91/04/296349104.db2.gz IVQXDMREIPIQIX-ZWJWXYIHSA-N 2 0 307.526 2.865 20 0 DFADRP C[C@@H]([NH2+]Cc1ccccc1C[N@@H+]1CCC[C@H](C)C1)C1C[NH2+]C1 ZINC000422874399 296348364 /nfs/dbraw/zinc/34/83/64/296348364.db2.gz CSPHVGVVGYHHOG-JKSUJKDBSA-N 3 0 301.478 2.616 20 0 DFADRP Cc1ccc(Cl)cc1N1CC[C@H](C[NH2+][C@H]2CCC[C@@H]2[NH3+])C1 ZINC000422876461 296348730 /nfs/dbraw/zinc/34/87/30/296348730.db2.gz FXSSEABKRDRXMI-KBMXLJTQSA-N 2 0 307.869 2.944 20 0 DFADRP Cc1ccccc1C1(C[NH2+][C@@H](C)[C@@H]2CC[NH2+]C2)CCOCC1 ZINC000422883341 296350272 /nfs/dbraw/zinc/35/02/72/296350272.db2.gz UULKZCDPWLLFGP-DLBZAZTESA-N 2 0 302.462 2.631 20 0 DFADRP C[C@H]([NH3+])[C@H]1COCC[C@@H]1[NH2+]CC1(c2ccc(F)cc2)CCCC1 ZINC000422880394 296349434 /nfs/dbraw/zinc/34/94/34/296349434.db2.gz OAHAKSDVKYKBOX-QGTPRVQTSA-N 2 0 320.452 2.979 20 0 DFADRP COC[C@H](CCC[NH3+])[NH2+][C@H](C)c1cccc(N2CCCC2)c1 ZINC000422879943 296349533 /nfs/dbraw/zinc/34/95/33/296349533.db2.gz WFOKSVQIYJNKMC-WBVHZDCISA-N 2 0 305.466 2.691 20 0 DFADRP Cc1ccc(C[NH2+][C@@H]2CC[NH2+]CC[C@H]2C)c(O[C@@H]2CCOC2)c1 ZINC000422881516 296349707 /nfs/dbraw/zinc/34/97/07/296349707.db2.gz YUNSPRNDSAGVPM-KBAYOESNSA-N 2 0 318.461 2.640 20 0 DFADRP CCOC(=O)C1([C@H](C)[NH2+]CC2(CC)CCCC2)CC[NH2+]CC1 ZINC000422890150 296351336 /nfs/dbraw/zinc/35/13/36/296351336.db2.gz RJSUEJCFSIVTJA-HNNXBMFYSA-N 2 0 310.482 2.868 20 0 DFADRP Cc1ccc([C@H](CN[C@@H]2CCCCC[C@H]2[NH3+])[NH+]2CCCC2)o1 ZINC000422885393 296350644 /nfs/dbraw/zinc/35/06/44/296350644.db2.gz YLRDWUNRFZGZJB-ZACQAIPSSA-N 2 0 305.466 2.975 20 0 DFADRP C[C@H](CCC[NH3+])[NH2+]C1[C@H](C)C[NH+](Cc2ccccc2)C[C@H]1C ZINC000422886837 296350892 /nfs/dbraw/zinc/35/08/92/296350892.db2.gz JTEASGNFQJQNNW-BRWVUGGUSA-N 3 0 303.494 2.860 20 0 DFADRP COc1cccc(N2CC[C@H](C[NH2+][C@H](C)[C@@H]3CCCC[NH2+]3)C2)c1 ZINC000422899833 296352822 /nfs/dbraw/zinc/35/28/22/296352822.db2.gz IGZQBYHTSXWDIU-MDZRGWNJSA-N 2 0 317.477 2.642 20 0 DFADRP COc1ccc(COCCC[NH2+][C@H]2CCCCC[C@H]2[NH3+])cc1 ZINC000422900597 296352979 /nfs/dbraw/zinc/35/29/79/296352979.db2.gz APPKUOYTXYEMLI-MSOLQXFVSA-N 2 0 306.450 2.852 20 0 DFADRP COc1ccc(C)cc1C1(C[NH2+][C@@H](C)C[C@@H](C)[NH3+])CCOCC1 ZINC000422901881 296353077 /nfs/dbraw/zinc/35/30/77/296353077.db2.gz SQYJXTVOPKCNEP-CVEARBPZSA-N 2 0 320.477 2.767 20 0 DFADRP CCc1nc(CC[NH2+][C@@H](C)c2ccc(C[NH3+])nc2C)cs1 ZINC000422901448 296353106 /nfs/dbraw/zinc/35/31/06/296353106.db2.gz KVHHWSHFDLTMAB-NSHDSACASA-N 2 0 304.463 2.761 20 0 DFADRP COc1ccc(C)cc1C1(C[NH2+][C@H]2CCC[C@@H]2[NH3+])CCOCC1 ZINC000422902151 296353288 /nfs/dbraw/zinc/35/32/88/296353288.db2.gz TVBWSHZWDXKGNA-IRXDYDNUSA-N 2 0 318.461 2.521 20 0 DFADRP CCCOc1ccc(C[NH2+][C@@H]2CCOC[C@H]2[C@H]2CCC[NH2+]2)cc1 ZINC000422902213 296353339 /nfs/dbraw/zinc/35/33/39/296353339.db2.gz UDNIENMQCCWIIE-IPMKNSEASA-N 2 0 318.461 2.722 20 0 DFADRP CC[NH+](CC)CCOc1ccc(C[NH2+][C@H]2CCC[NH2+]CC2)cc1 ZINC000422893269 296351811 /nfs/dbraw/zinc/35/18/11/296351811.db2.gz PTMJJGBQFREQGN-SFHVURJKSA-N 3 0 319.493 2.639 20 0 DFADRP Fc1ccc(N2CC[C@@H](C[NH2+]C3C[C@H]4CC[C@@H](C3)[NH2+]4)C2)cc1 ZINC000422905476 296354200 /nfs/dbraw/zinc/35/42/00/296354200.db2.gz ZDSDOMYAZJZKOP-JTUUTPGSSA-N 2 0 303.425 2.525 20 0 DFADRP FC(F)n1c(CC[NH2+][C@@H]2CCC[NH2+]CC2)nc2ccccc21 ZINC000422906730 296354448 /nfs/dbraw/zinc/35/44/48/296354448.db2.gz AJYHKCMLKRMGPS-GFCCVEGCSA-N 2 0 308.376 2.706 20 0 DFADRP C[C@H](O)CC(C)(C)C[NH2+][C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422919436 296355855 /nfs/dbraw/zinc/35/58/55/296355855.db2.gz JYINRFWRXWIXHN-GMBSWORKSA-N 2 0 318.461 2.629 20 0 DFADRP C[C@@H](CCC[NH3+])[NH2+][C@@H]1CCCN(Cc2c(F)cccc2F)C1 ZINC000422911305 296355009 /nfs/dbraw/zinc/35/50/09/296355009.db2.gz SQNXBHQVLHQWIE-UONOGXRCSA-N 2 0 311.420 2.646 20 0 DFADRP [NH3+]C[C@H]1CCC[C@@H]1[NH2+]CCc1nc2ccccc2n1C(F)F ZINC000422911203 296355022 /nfs/dbraw/zinc/35/50/22/296355022.db2.gz KHEVIUUXWWSHOP-NEPJUHHUSA-N 2 0 308.376 2.691 20 0 DFADRP [NH3+]C[C@H]1CCC[C@H]1[NH2+]Cc1ccc(C(=O)N2CCCCC2)cc1 ZINC000422928056 296356517 /nfs/dbraw/zinc/35/65/17/296356517.db2.gz IQOYTTXPIIPGKU-QZTJIDSGSA-N 2 0 315.461 2.530 20 0 DFADRP COC[C@H](CCC[NH3+])[NH2+][C@@H](C)c1cccc(OC(F)(F)F)c1 ZINC000422930608 296356849 /nfs/dbraw/zinc/35/68/49/296356849.db2.gz VFYUKLUQBMFNKE-AAEUAGOBSA-N 2 0 320.355 2.990 20 0 DFADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]CCOc1ncccc1Cl ZINC000422931073 296356940 /nfs/dbraw/zinc/35/69/40/296356940.db2.gz WWYFAIFEYCOLQX-LLVKDONJSA-N 2 0 320.824 2.627 20 0 DFADRP CC(C)CCOc1ccccc1C[NH2+][C@@H]1CCOC[C@H]1[C@H](C)[NH3+] ZINC000422932469 296357205 /nfs/dbraw/zinc/35/72/05/296357205.db2.gz FWWNKNOKSYZOQG-RYQLBKOJSA-N 2 0 320.477 2.953 20 0 DFADRP C[C@@H](CCCC[NH3+])[NH2+][C@@H]1CCN(c2ccc(Cl)cc2)C1=O ZINC000422927434 296356317 /nfs/dbraw/zinc/35/63/17/296356317.db2.gz YUPUXVWKTTUXNU-SWLSCSKDSA-N 2 0 309.841 2.552 20 0 DFADRP CC(C)[C@H](C[NH2+][C@H]1CCC[C@@H]1C[NH3+])N1CCc2ccccc2C1 ZINC000422937712 296357984 /nfs/dbraw/zinc/35/79/84/296357984.db2.gz KAARPYWRKMIFTO-HOJAQTOUSA-N 2 0 315.505 2.786 20 0 DFADRP CC(C)[C@H](CN[C@@H]1CCC[C@H]1[NH3+])[N@@H+]1CCc2ccccc2C1 ZINC000422937661 296358003 /nfs/dbraw/zinc/35/80/03/296358003.db2.gz JQDSGKOALUKEBI-QRVBRYPASA-N 2 0 301.478 2.539 20 0 DFADRP COC[C@@H](CCC[NH3+])[NH2+]CCOc1cccc2ccccc21 ZINC000422937389 296358057 /nfs/dbraw/zinc/35/80/57/296358057.db2.gz GIVHCAPSXZCTQA-MRXNPFEDSA-N 2 0 302.418 2.562 20 0 DFADRP COc1cc([C@H](C)[NH2+][C@@H](C)C2C[NH2+]C2)ccc1OCC(C)C ZINC000422937313 296358083 /nfs/dbraw/zinc/35/80/83/296358083.db2.gz JLKCOMFJMHLVRP-KBPBESRZSA-N 2 0 306.450 2.989 20 0 DFADRP CCCCNC(=O)c1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000422939990 296358239 /nfs/dbraw/zinc/35/82/39/296358239.db2.gz MQYDIFMAEOEIFE-JWTNVVGKSA-N 2 0 315.461 2.589 20 0 DFADRP C[C@@H](CCC[NH3+])[NH2+]Cc1ccccc1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000422940117 296358281 /nfs/dbraw/zinc/35/82/81/296358281.db2.gz IRMSHBJWSSYCPM-YESZJQIVSA-N 3 0 319.493 2.513 20 0 DFADRP c1cc2c(cc1[C@H]([NH2+][C@H]1CCC[NH2+]CC1)C1CC1)OCCO2 ZINC000422938571 296358375 /nfs/dbraw/zinc/35/83/75/296358375.db2.gz HEZRGCYVTDVYFR-MAUKXSAKSA-N 2 0 302.418 2.641 20 0 DFADRP Fc1ccc(CC[NH2+][C@@H]2CCC[NH2+]CC2)cc1Br ZINC000422943266 296358642 /nfs/dbraw/zinc/35/86/42/296358642.db2.gz XUJOYLJJQXTSDH-GFCCVEGCSA-N 2 0 315.230 2.862 20 0 DFADRP c1cc2c(cc1[C@H]([NH2+]C1C[C@H]3CC[C@@H](C1)[NH2+]3)C1CC1)OCCO2 ZINC000422942995 296358720 /nfs/dbraw/zinc/35/87/20/296358720.db2.gz LBWCLBXVCULZPQ-QDXKRRSBSA-N 2 0 314.429 2.782 20 0 DFADRP C[C@@H]([NH2+]CC1(c2ccc(Cl)cc2)CCOCC1)[C@@H]1CC[NH2+]C1 ZINC000422935801 296357461 /nfs/dbraw/zinc/35/74/61/296357461.db2.gz DTCODCCBVJOUDT-HUUCEWRRSA-N 2 0 322.880 2.976 20 0 DFADRP C[C@H](C[C@H](C)[NH3+])[NH2+]CCOc1cccc(Br)c1 ZINC000422949353 296359601 /nfs/dbraw/zinc/35/96/01/296359601.db2.gz TUCVISYVZTZCBE-WDEREUQCSA-N 2 0 301.228 2.543 20 0 DFADRP c1cn(Cc2ccccc2C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)cn1 ZINC000269994038 208045748 /nfs/dbraw/zinc/04/57/48/208045748.db2.gz VRYKAIGVSHGYHX-RTBURBONSA-N 2 0 310.445 2.648 20 0 DFADRP c1cc(C[NH+]2CCSCC2)cc(NC2C[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC000422955029 296360726 /nfs/dbraw/zinc/36/07/26/296360726.db2.gz KLVWMNVVYVFTMV-JWTNVVGKSA-N 2 0 317.502 2.930 20 0 DFADRP C[C@H]1CC[NH2+]CC[C@H]1[NH2+]CCCOc1cccc2cccnc21 ZINC000422956238 296360754 /nfs/dbraw/zinc/36/07/54/296360754.db2.gz OVHVXRLDYBLMSP-DOTOQJQBSA-N 2 0 313.445 2.981 20 0 DFADRP CC[C@](C[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1)(C(=O)OC)c1ccccc1 ZINC000602695862 399524353 /nfs/dbraw/zinc/52/43/53/399524353.db2.gz PSJDZTZAPDRRLQ-SZVBFZGTSA-N 2 0 318.461 2.580 20 0 DFADRP C[C@H](Nc1cccc(C[NH+]2CCSCC2)c1)[C@@H]1CC[NH2+]C1 ZINC000422957653 296361057 /nfs/dbraw/zinc/36/10/57/296361057.db2.gz USUJLBKAXLEJLN-GOEBONIOSA-N 2 0 305.491 2.645 20 0 DFADRP [NH3+][C@@H]1CCC[C@@H]1[NH2+]CCCc1nc(-c2ccncc2)cs1 ZINC000422958221 296361108 /nfs/dbraw/zinc/36/11/08/296361108.db2.gz XCXXCTOGWWUGHT-KGLIPLIRSA-N 2 0 302.447 2.607 20 0 DFADRP CC[C@@H](NCC1([NH+]2CCCCC2)CCOCC1)[C@H]1CCCC[NH2+]1 ZINC000422951841 296360119 /nfs/dbraw/zinc/36/01/19/296360119.db2.gz AIZLTRXTEWSCMI-QZTJIDSGSA-N 2 0 323.525 2.532 20 0 DFADRP C[C@@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]CCCNC(=O)c1cccs1 ZINC000422954321 296360205 /nfs/dbraw/zinc/36/02/05/296360205.db2.gz IBSLRQXWGPSEPE-GJZGRUSLSA-N 2 0 323.506 2.768 20 0 DFADRP C[C@@H]1C[N@@H+](Cc2cccc(N[C@@H]3C[NH2+]CC[C@H]3C)c2)C[C@H](C)O1 ZINC000422953570 296360276 /nfs/dbraw/zinc/36/02/76/296360276.db2.gz FRDBSZJMPRUREQ-OAFZBRQQSA-N 2 0 317.477 2.706 20 0 DFADRP [NH3+][C@@H]1CCCCC[C@H]1[NH2+]Cc1cccc(CN2CCCC2=O)c1 ZINC000422953708 296360379 /nfs/dbraw/zinc/36/03/79/296360379.db2.gz GGMPMNSOEJDEPC-QZTJIDSGSA-N 2 0 315.461 2.559 20 0 DFADRP C[C@@H]([NH2+]Cc1ccc(Br)c(F)c1)[C@H]1CC[NH2+]C1 ZINC000422960214 296361391 /nfs/dbraw/zinc/36/13/91/296361391.db2.gz VSSTWZWDDKWJKP-KOLCDFICSA-N 2 0 301.203 2.676 20 0 DFADRP CC[C@H](CN[C@@H]1CC[NH2+][C@H](c2ccccc2)C1)[NH+]1CCCC1 ZINC000422961371 296361405 /nfs/dbraw/zinc/36/14/05/296361405.db2.gz BLUNGACYFYDSOG-QRVBRYPASA-N 2 0 301.478 2.944 20 0 DFADRP c1ccc(C2CC([NH2+][C@@H]3CCOC[C@H]3[C@@H]3CCC[NH2+]3)C2)cc1 ZINC000422963000 296361571 /nfs/dbraw/zinc/36/15/71/296361571.db2.gz DYMZFOOMRASONM-KFPRQRBHSA-N 2 0 300.446 2.679 20 0 DFADRP CCOC(=O)C1([C@H](C)[NH2+]CCC2=CCCCC2)CC[NH2+]CC1 ZINC000422964457 296361994 /nfs/dbraw/zinc/36/19/94/296361994.db2.gz LSIBCGKIQMECCT-HNNXBMFYSA-N 2 0 308.466 2.788 20 0 DFADRP CC[C@H]([NH2+]C[C@H](c1ccccc1)C(C)(C)CO)[C@@H]1CCC[NH2+]1 ZINC000422965188 296362131 /nfs/dbraw/zinc/36/21/31/296362131.db2.gz KMZZARXLOCASEU-SQNIBIBYSA-N 2 0 304.478 2.909 20 0 DFADRP C[C@H](c1ccncc1)N1CCC([NH2+][C@@H](C)CCCC[NH3+])CC1 ZINC000422965532 296362138 /nfs/dbraw/zinc/36/21/38/296362138.db2.gz LIIJDRSJHKMVFR-JKSUJKDBSA-N 2 0 304.482 2.714 20 0 DFADRP c1cc(OCC2CC2)ncc1C[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000422970701 296363065 /nfs/dbraw/zinc/36/30/65/296363065.db2.gz GXWCHEIHIMXASF-KZNAEPCWSA-N 2 0 315.461 2.881 20 0 DFADRP [NH3+]C[C@H]1CCC[C@@H]1[NH2+]Cc1ccc(COC2CCOCC2)cc1 ZINC000422965509 296362259 /nfs/dbraw/zinc/36/22/59/296362259.db2.gz LERQNYDTHFPAFJ-MJGOQNOKSA-N 2 0 318.461 2.599 20 0 DFADRP Cc1nn(-c2ccccc2)cc1CCC[NH2+][C@@H](C)C[C@H](C)[NH3+] ZINC000422968080 296362429 /nfs/dbraw/zinc/36/24/29/296362429.db2.gz VLZRIXHXKRKNOM-GJZGRUSLSA-N 2 0 300.450 2.829 20 0 DFADRP Cc1nc(C[NH3+])ccc1[C@@H](C)NC[C@@H](C(C)C)[NH+]1CCCC1 ZINC000422969002 296362626 /nfs/dbraw/zinc/36/26/26/296362626.db2.gz YKLYIYCBPLHJAZ-KDOFPFPSSA-N 2 0 304.482 2.620 20 0 DFADRP c1ccc(CO[C@@H]2CCC[C@H]2[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000422987353 296364318 /nfs/dbraw/zinc/36/43/18/296364318.db2.gz GAMMUHHDMSIUKR-YZYRWKSTSA-N 2 0 300.446 2.997 20 0 DFADRP Oc1ccccc1CC[NH2+][C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422975736 296363312 /nfs/dbraw/zinc/36/33/12/296363312.db2.gz UAOMGIKCRWGBME-XLIONFOSSA-N 2 0 324.424 2.780 20 0 DFADRP CCOC(=O)C1([C@@H](C)[NH2+]C/C=C/c2ccccc2)CC[NH2+]CC1 ZINC000422979671 296363595 /nfs/dbraw/zinc/36/35/95/296363595.db2.gz NGXUYTSIVPDTNR-OJXHRBAXSA-N 2 0 316.445 2.611 20 0 DFADRP [NH3+][C@@H]1CCCCC[C@H]1[NH2+]CCOc1ncccc1C(F)(F)F ZINC000422991305 296364532 /nfs/dbraw/zinc/36/45/32/296364532.db2.gz AVLLKGBUYTUFIE-CHWSQXEVSA-N 2 0 317.355 2.729 20 0 DFADRP Oc1ccc(CC[NH2+][C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)cc1 ZINC000422988827 296364584 /nfs/dbraw/zinc/36/45/84/296364584.db2.gz LJOOCHXBKZSKBH-QUCCMNQESA-N 2 0 324.424 2.780 20 0 DFADRP C([NH2+][C@@H]1CCOC[C@H]1[C@@H]1CCC[NH2+]1)C1C2CC3CC(C2)CC1C3 ZINC000422990209 296364634 /nfs/dbraw/zinc/36/46/34/296364634.db2.gz NGNBTGKXMFZPJC-KOKMGQEVSA-N 2 0 318.505 2.805 20 0 DFADRP C[C@@H](CCCC[NH3+])[NH2+][C@H](CO)c1cccc(Br)c1 ZINC000422990694 296364736 /nfs/dbraw/zinc/36/47/36/296364736.db2.gz OJHYIQVJIMPFGS-SMDDNHRTSA-N 2 0 315.255 2.590 20 0 DFADRP CC(C)(C)C[C@H](CO)[NH2+][C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422997384 296365281 /nfs/dbraw/zinc/36/52/81/296365281.db2.gz OAHBSATXWPLFHF-IDHHARJASA-N 2 0 318.461 2.629 20 0 DFADRP CC[C@H](C[C@H](C)CO)[NH2+][C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423002361 296365850 /nfs/dbraw/zinc/36/58/50/296365850.db2.gz FZFTUCDIMUTJTP-BUIAKZPTSA-N 2 0 318.461 2.629 20 0 DFADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+][C@H](C)[C@H](O)Cc1ccccc1 ZINC000422996702 296365304 /nfs/dbraw/zinc/36/53/04/296365304.db2.gz MVTAKJORLJHNPC-ZAWLATJESA-N 2 0 304.478 2.879 20 0 DFADRP C[C@@H](CCC[NH3+])[NH2+]Cc1cccc(COCC(F)(F)F)c1 ZINC000422997777 296365569 /nfs/dbraw/zinc/36/55/69/296365569.db2.gz BXHUISJPSQPWCE-LBPRGKRZSA-N 2 0 304.356 2.983 20 0 DFADRP CCc1ccc([C@H](CO)[NH2+][C@H](C)c2ccc(C[NH3+])nc2C)cc1 ZINC000422997749 296365591 /nfs/dbraw/zinc/36/55/91/296365591.db2.gz BTSHBFKTGNDDTQ-KUHUBIRLSA-N 2 0 313.445 2.795 20 0 DFADRP Cc1cc(C[C@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)n(-c2ccccc2)n1 ZINC000422999555 296365596 /nfs/dbraw/zinc/36/55/96/296365596.db2.gz SQSOTOLMGDPGSH-QTXGHNMQSA-N 2 0 324.472 2.984 20 0 DFADRP COc1cccc(CC[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)n1 ZINC000423009631 296367141 /nfs/dbraw/zinc/36/71/41/296367141.db2.gz WBDNGVMRJNAWQS-YESZJQIVSA-N 2 0 303.450 2.533 20 0 DFADRP Cc1ccc([C@@H](Cn2ccnc2)[NH2+][C@@H]2CCC[NH2+]CC2)c(C)c1 ZINC000423006531 296366608 /nfs/dbraw/zinc/36/66/08/296366608.db2.gz VRGJDMOKFASFBJ-IEBWSBKVSA-N 2 0 312.461 2.973 20 0 DFADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]CC1(CCO)CCCCC1 ZINC000423006350 296366639 /nfs/dbraw/zinc/36/66/39/296366639.db2.gz OHXRWSYTHBHSAU-AWEZNQCLSA-N 2 0 305.466 2.832 20 0 DFADRP CC(C)C[C@@H]([NH2+][C@H](C)CCCC[NH3+])C(=O)Nc1nccs1 ZINC000423014134 296367764 /nfs/dbraw/zinc/36/77/64/296367764.db2.gz HJTXGXXVPBIEQO-CHWSQXEVSA-N 2 0 312.483 2.603 20 0 DFADRP c1ccc2c(c1)CC(CC[NH2+][C@@H]1CCOC[C@H]1[C@@H]1CCC[NH2+]1)C2 ZINC000423013846 296367869 /nfs/dbraw/zinc/36/78/69/296367869.db2.gz NMQXUMXNVUPLMZ-SLFFLAALSA-N 2 0 314.473 2.538 20 0 DFADRP CN1CC[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)[C@H]1c1ccc(Cl)cc1 ZINC000423015813 296368205 /nfs/dbraw/zinc/36/82/05/296368205.db2.gz RWFMPUIDJMNYPT-VQTPCSAVSA-N 2 0 319.880 2.958 20 0 DFADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+][C@H]1CCN(C)[C@@H]1c1ccccc1 ZINC000423012820 296367412 /nfs/dbraw/zinc/36/74/12/296367412.db2.gz LNWHJWRAQAXNCZ-RYGJVYDSSA-N 2 0 324.472 2.945 20 0 DFADRP Cc1nn(C)c(C)c1CCC[NH2+][C@H](Cc1ccccc1)[C@@H](C)[NH3+] ZINC000423010956 296367459 /nfs/dbraw/zinc/36/74/59/296367459.db2.gz AKRKMNPJHZDMGP-AUUYWEPGSA-N 2 0 314.477 2.518 20 0 DFADRP C[C@@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]CCSCC(F)(F)F ZINC000423012448 296367546 /nfs/dbraw/zinc/36/75/46/296367546.db2.gz DAZWQMSEURKFIT-YPMHNXCESA-N 2 0 306.397 2.830 20 0 DFADRP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]CCSCC(F)(F)F ZINC000423012447 296367563 /nfs/dbraw/zinc/36/75/63/296367563.db2.gz DAZWQMSEURKFIT-WCQYABFASA-N 2 0 306.397 2.830 20 0 DFADRP C[C@H]([NH2+][C@@H]1CCO[C@H]1c1ccc(Cl)c(F)c1)[C@H]1CC[NH2+]C1 ZINC000423019448 296368353 /nfs/dbraw/zinc/36/83/53/296368353.db2.gz VRBLYJBDJOGLFZ-SPGJAERMSA-N 2 0 312.816 2.897 20 0 DFADRP COc1ccc(C[C@H](C)C[NH2+][C@@H]2CCCC[C@@H]2C[NH3+])cc1OC ZINC000423025857 296369205 /nfs/dbraw/zinc/36/92/05/296369205.db2.gz PGQADBQAQZYKMU-USXIJHARSA-N 2 0 320.477 2.990 20 0 DFADRP CC(C)[NH+]1CCN(c2cccc(N[C@H]3CCC[C@H]3[NH3+])c2)CC1 ZINC000423021540 296368715 /nfs/dbraw/zinc/36/87/15/296368715.db2.gz CDKDULSUVOEEKG-MSOLQXFVSA-N 2 0 302.466 2.509 20 0 DFADRP CC(C)[NH+]1CCN(c2cccc(NC3CCC([NH3+])CC3)c2)CC1 ZINC000423034086 296370138 /nfs/dbraw/zinc/37/01/38/296370138.db2.gz XFSYXGDHSGOPDZ-UHFFFAOYSA-N 2 0 316.493 2.899 20 0 DFADRP COCCC(C)(C)C[NH2+][C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423035353 296370194 /nfs/dbraw/zinc/37/01/94/296370194.db2.gz JFXDCAAOJUQTJD-APWZRJJASA-N 2 0 318.461 2.895 20 0 DFADRP COCCC(C)(C)C[NH2+][C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423035355 296370366 /nfs/dbraw/zinc/37/03/66/296370366.db2.gz JFXDCAAOJUQTJD-LPHOPBHVSA-N 2 0 318.461 2.895 20 0 DFADRP CC(C)[NH+]1CCN(c2cccc(N[C@H](C)C[C@@H](C)[NH3+])c2)CC1 ZINC000423028840 296369675 /nfs/dbraw/zinc/36/96/75/296369675.db2.gz RKRMVJKUTRMSSZ-HZPDHXFCSA-N 2 0 304.482 2.755 20 0 DFADRP COc1ccc(C[C@H](C)C[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1OC ZINC000423028994 296369679 /nfs/dbraw/zinc/36/96/79/296369679.db2.gz ULVRKVUIGMVUQY-JTUUTPGSSA-N 2 0 318.461 2.755 20 0 DFADRP Cc1nc(C[NH3+])ccc1[C@@H](C)NCC[C@H](C)[NH+]1CCCCC1 ZINC000423030874 296369926 /nfs/dbraw/zinc/36/99/26/296369926.db2.gz KBDRUYCQQUKJHD-LSDHHAIUSA-N 2 0 304.482 2.764 20 0 DFADRP Cc1nc(C[NH3+])ccc1[C@H](C)NCC[C@@H](C)[NH+]1CCCCC1 ZINC000423030871 296369953 /nfs/dbraw/zinc/36/99/53/296369953.db2.gz KBDRUYCQQUKJHD-CABCVRRESA-N 2 0 304.482 2.764 20 0 DFADRP C[C@H]([NH3+])C[C@H](C)[NH2+]CCCc1nc(-c2ccc(F)cc2)no1 ZINC000423030941 296370020 /nfs/dbraw/zinc/37/00/20/296370020.db2.gz KJHQFBPSQSGLTL-RYUDHWBXSA-N 2 0 306.385 2.524 20 0 DFADRP C[C@@H](CCC[NH3+])[NH2+][C@@H](CCO)c1ccccc1Br ZINC000423033540 296370078 /nfs/dbraw/zinc/37/00/78/296370078.db2.gz OPEDPSRIDNLFSE-FZMZJTMJSA-N 2 0 315.255 2.590 20 0 DFADRP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]C[C@H](O)CCc1ccccc1 ZINC000423039037 296370675 /nfs/dbraw/zinc/37/06/75/296370675.db2.gz ZXPPSIIZRODCIC-PWIZWCRZSA-N 2 0 312.457 2.528 20 0 DFADRP CCOC(=O)C1([C@H](C)[NH2+][C@@H](CC)CC(F)(F)F)CC[NH2+]CC1 ZINC000423040950 296370761 /nfs/dbraw/zinc/37/07/61/296370761.db2.gz VQKMTCSDXSDPSN-RYUDHWBXSA-N 2 0 324.387 2.628 20 0 DFADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]CCCOCCOCc1ccccc1 ZINC000423043968 296371267 /nfs/dbraw/zinc/37/12/67/296371267.db2.gz QGLYXVAQBJTVLV-MJGOQNOKSA-N 2 0 320.477 2.588 20 0 DFADRP FC(F)c1ccc(C[NH2+][C@@H]2CCOC[C@@H]2[C@@H]2CCC[NH2+]2)cc1 ZINC000423045335 296371277 /nfs/dbraw/zinc/37/12/77/296371277.db2.gz CSPXSLPDWGUAJN-OWCLPIDISA-N 2 0 310.388 2.871 20 0 DFADRP COc1cccc([C@@H]2[C@H]([NH2+][C@H](C)CCC[NH3+])CCN2C2CC2)c1 ZINC000423044699 296371435 /nfs/dbraw/zinc/37/14/35/296371435.db2.gz RHSKTPNKVIMCOU-NIKGAXFTSA-N 2 0 317.477 2.690 20 0 DFADRP COc1ccccc1[C@H](C[NH2+][C@H](C)[C@H]1CC[NH2+]C1)OC(C)C ZINC000423046898 296371709 /nfs/dbraw/zinc/37/17/09/296371709.db2.gz FHMXNHFZXYOPFH-VKJFTORMSA-N 2 0 306.450 2.749 20 0 DFADRP CC[C@@H]([NH2+]CCc1cn(C)c2cc(F)ccc12)[C@@H]1CCC[NH2+]1 ZINC000423050704 296371980 /nfs/dbraw/zinc/37/19/80/296371980.db2.gz LULLUHLLXOFKQO-SJORKVTESA-N 2 0 303.425 2.980 20 0 DFADRP C[C@H]([NH2+]CCc1cn(C)c2cc(F)ccc12)[C@H]1CCCC[NH2+]1 ZINC000423050931 296372397 /nfs/dbraw/zinc/37/23/97/296372397.db2.gz MKMHJXZXHAWMPL-SUMWQHHRSA-N 2 0 303.425 2.980 20 0 DFADRP COc1ccccc1[C@H](C[NH2+][C@H]1CCC[NH2+]CC1)OC(C)C ZINC000423053892 296372416 /nfs/dbraw/zinc/37/24/16/296372416.db2.gz SJWHQGQADVKDGI-YJBOKZPZSA-N 2 0 306.450 2.893 20 0 DFADRP Cn1nc(CC[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)c2ccccc21 ZINC000423050623 296372216 /nfs/dbraw/zinc/37/22/16/296372216.db2.gz LORDGWZJBWWEAD-OIISXLGYSA-N 2 0 312.461 2.626 20 0 DFADRP Cc1ccc(C[C@H](CO)[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)cc1 ZINC000423058918 296373251 /nfs/dbraw/zinc/37/32/51/296373251.db2.gz KSDJEXGKJNLULO-YSTOQKLRSA-N 2 0 316.489 2.799 20 0 DFADRP Cc1oc2ccccc2c1C[NH2+][C@@H]1CCOC[C@H]1[C@H]1CCC[NH2+]1 ZINC000423057139 296373304 /nfs/dbraw/zinc/37/33/04/296373304.db2.gz ZFYHXEHAVSYEEX-RCCFBDPRSA-N 2 0 314.429 2.988 20 0 DFADRP COC[C@H](CCC[NH3+])[NH2+]C[C@H](c1ccccc1)C(F)(F)F ZINC000423059552 296373604 /nfs/dbraw/zinc/37/36/04/296373604.db2.gz FTZKZIGWRVYYTA-UONOGXRCSA-N 2 0 304.356 2.676 20 0 DFADRP C[NH+](C)[C@@H](CNC(=O)c1ccc2c(c1)C[NH2+]C2)C1CCCCC1 ZINC000347643663 285110766 /nfs/dbraw/zinc/11/07/66/285110766.db2.gz BESHMTCFEBCCFI-SFHVURJKSA-N 2 0 315.461 2.530 20 0 DFADRP CCN1CCC([NH2+][C@@H](C)c2ccc(OCC[NH+](C)C)cc2)CC1 ZINC000159259309 197339983 /nfs/dbraw/zinc/33/99/83/197339983.db2.gz AAZPLZSENNXDHN-INIZCTEOSA-N 2 0 319.493 2.762 20 0 DFADRP [NH3+]C[C@@H]1CCC[C@H]1[NH2+]CCCOc1ccc(C(F)(F)F)cn1 ZINC000423068848 296374522 /nfs/dbraw/zinc/37/45/22/296374522.db2.gz CXMQDGXRVNZOHJ-WCQYABFASA-N 2 0 317.355 2.586 20 0 DFADRP C[N@H+](Cc1ccccc1)[C@H](CN[C@H]1CCC[NH2+]CC1)C1CC1 ZINC000423063738 296373716 /nfs/dbraw/zinc/37/37/16/296373716.db2.gz POBCBVKIFNWIOB-RBUKOAKNSA-N 2 0 301.478 2.629 20 0 DFADRP COC[C@H](CCC[NH3+])[NH2+][C@H](C)c1ccc(Br)s1 ZINC000423062710 296373928 /nfs/dbraw/zinc/37/39/28/296373928.db2.gz UTBMWCILFBRROI-ZJUUUORDSA-N 2 0 321.284 2.915 20 0 DFADRP CCCNc1ccc(C[NH2+][C@@H]2CCOC[C@@H]2[C@@H]2CCC[NH2+]2)cc1 ZINC000423073004 296375316 /nfs/dbraw/zinc/37/53/16/296375316.db2.gz IBCQTEIPRGWUCQ-CEXWTWQISA-N 2 0 317.477 2.755 20 0 DFADRP C[C@H](CCCC[NH3+])[NH2+]C[C@@H]1CSCCN1Cc1ccccc1 ZINC000423070274 296374818 /nfs/dbraw/zinc/37/48/18/296374818.db2.gz CKYPQOKNCLRUDL-SJLPKXTDSA-N 2 0 321.534 2.711 20 0 DFADRP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+][C@H](CO)Cc1ccc(F)cc1 ZINC000423083072 296376252 /nfs/dbraw/zinc/37/62/52/296376252.db2.gz YEVOXPXXXUHBGI-OLMNPRSZSA-N 2 0 308.441 2.630 20 0 DFADRP C[C@H](NC[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1c[nH+]ccc1N ZINC000423086752 296376652 /nfs/dbraw/zinc/37/66/52/296376652.db2.gz NYGKZMXBLKMSQB-RDJZCZTQSA-N 3 0 310.445 2.667 20 0 DFADRP Fc1ccc2c(c1)[C@H]([NH2+][C@@H]1CCOC[C@H]1[C@@H]1CCC[NH2+]1)CCC2 ZINC000423087026 296376663 /nfs/dbraw/zinc/37/66/63/296376663.db2.gz OQAWZIMFDGUDTF-INDMIFKZSA-N 2 0 318.436 2.950 20 0 DFADRP C[C@@H](NC[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1c[nH+]ccc1N ZINC000423086753 296376843 /nfs/dbraw/zinc/37/68/43/296376843.db2.gz NYGKZMXBLKMSQB-WBVHZDCISA-N 3 0 310.445 2.667 20 0 DFADRP OCC1(C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)CC2(CCC2)C1 ZINC000423089248 296376972 /nfs/dbraw/zinc/37/69/72/296376972.db2.gz RVPYBIBIECYWQB-GVDBMIGSSA-N 2 0 306.494 2.830 20 0 DFADRP OCC1(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)CC2(CCC2)C1 ZINC000423089249 296377090 /nfs/dbraw/zinc/37/70/90/296377090.db2.gz RVPYBIBIECYWQB-IXDOHACOSA-N 2 0 306.494 2.830 20 0 DFADRP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1[NH2+][C@@H]1CC[C@@H](c2ccc(F)cc2)C1 ZINC000423083337 296376411 /nfs/dbraw/zinc/37/64/11/296376411.db2.gz FVNHFBSIGPPRKL-JFRPJSFFSA-N 2 0 306.425 2.804 20 0 DFADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]C[C@H]1CCCN(c2ccccc2)C1 ZINC000423089356 296377300 /nfs/dbraw/zinc/37/73/00/296377300.db2.gz UXPSUVLCWKJFQI-ZHALLVOQSA-N 2 0 301.478 2.881 20 0 DFADRP CC1(c2ccccc2)CC([NH2+][C@@H]2CCOC[C@H]2[C@@H]2CCC[NH2+]2)C1 ZINC000423094412 296377445 /nfs/dbraw/zinc/37/74/45/296377445.db2.gz BRLKRMDRWQERKT-RWSSSABPSA-N 2 0 314.473 2.853 20 0 DFADRP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]C[C@@H](CO)CC1CCCC1 ZINC000423101010 296378351 /nfs/dbraw/zinc/37/83/51/296378351.db2.gz NIGVTPHXKPGHLA-SNRMKQJTSA-N 2 0 304.478 2.723 20 0 DFADRP C[C@H]([NH3+])[C@H]1COCC[C@@H]1[NH2+]CCn1ccc2cc(Cl)ccc21 ZINC000423098656 296378358 /nfs/dbraw/zinc/37/83/58/296378358.db2.gz DDOFYAGFVLCRLL-MAZHCROVSA-N 2 0 321.852 2.637 20 0 DFADRP COC[C@@H](CCC[NH3+])[NH2+]CCn1ccc2cc(Cl)ccc21 ZINC000423109356 296379366 /nfs/dbraw/zinc/37/93/66/296379366.db2.gz SGUWKLLOLMIKBQ-OAHLLOKOSA-N 2 0 309.841 2.638 20 0 DFADRP [NH3+]C1CCC([NH2+]Cc2cc(Cl)ccc2N2CCOCC2)CC1 ZINC000423112514 296380188 /nfs/dbraw/zinc/38/01/88/296380188.db2.gz XMVDXQALOGYTOU-UHFFFAOYSA-N 2 0 323.868 2.536 20 0 DFADRP OC[C@@H]1CCC[N@@H+]1CCCC[NH2+]Cc1ccc2occc2c1 ZINC000286475648 219009547 /nfs/dbraw/zinc/00/95/47/219009547.db2.gz LDAKOLJZCSOSSK-KRWDZBQOSA-N 2 0 302.418 2.759 20 0 DFADRP CCC[N@H+](C)[C@H](CN[C@H](C)C1C[NH2+]C1)c1ccc(Cl)cc1 ZINC000423111772 296379733 /nfs/dbraw/zinc/37/97/33/296379733.db2.gz WNNZFXHTOBZMNC-CXAGYDPISA-N 2 0 309.885 2.920 20 0 DFADRP C[C@](CO)(C[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1)c1ccccc1 ZINC000423110607 296379803 /nfs/dbraw/zinc/37/98/03/296379803.db2.gz PGZUZQCLLPYDMO-UAFMIMERSA-N 2 0 316.489 2.837 20 0 DFADRP CCOc1ccc([C@@H](COC)[NH2+]C2CCC(C[NH3+])CC2)cc1 ZINC000423113968 296380060 /nfs/dbraw/zinc/38/00/60/296380060.db2.gz ZMRVZEKGEDSVBJ-JFUPDXTOSA-N 2 0 306.450 2.880 20 0 DFADRP COC[C@@H](CCC[NH3+])[NH2+]CCCc1c[nH]c2ccc(F)cc12 ZINC000423118033 296380712 /nfs/dbraw/zinc/38/07/12/296380712.db2.gz YLNULIBGMRZJHN-OAHLLOKOSA-N 2 0 307.413 2.583 20 0 DFADRP C[C@H](C[C@H]1COCCN1)[NH2+][C@H]1CCc2sc(Cl)cc21 ZINC000423119217 296380828 /nfs/dbraw/zinc/38/08/28/296380828.db2.gz BTHWHUCXMAFZRT-SCVCMEIPSA-N 2 0 300.855 2.745 20 0 DFADRP CC(C)Oc1ccc([C@@H](CN[C@H](C)[C@H]2CCC[NH2+]2)[NH+](C)C)cc1 ZINC000423124912 296381482 /nfs/dbraw/zinc/38/14/82/296381482.db2.gz MYWDVLKQUQLJKJ-ATZDWAIDSA-N 2 0 319.493 2.807 20 0 DFADRP [NH3+]C[C@H]1CCCC[C@@H]1[NH2+]CCc1cccc(C(F)(F)F)n1 ZINC000423123802 296380920 /nfs/dbraw/zinc/38/09/20/296380920.db2.gz FHUPMYOLJNHBSC-YPMHNXCESA-N 2 0 301.356 2.750 20 0 DFADRP CC(C)c1nnc(CC[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)s1 ZINC000423128537 296382048 /nfs/dbraw/zinc/38/20/48/296382048.db2.gz KVWNLMCPFYJGOS-MJBXVCDLSA-N 2 0 308.495 2.714 20 0 DFADRP CCN1C[C@H]([NH2+]Cc2ccccc2C[N@H+](C)C(C)C)[C@@H](C)C1 ZINC000347715801 285142809 /nfs/dbraw/zinc/14/28/09/285142809.db2.gz GWPUFAGAHZKALX-LPHOPBHVSA-N 2 0 303.494 2.957 20 0 DFADRP COc1ccc(CC[NH2+][C@@H]2CCC[C@@H]2C[NH3+])c(Cl)c1OC ZINC000423133580 296382575 /nfs/dbraw/zinc/38/25/75/296382575.db2.gz KZKOPUKTUNUZSU-CHWSQXEVSA-N 2 0 312.841 2.617 20 0 DFADRP [NH3+][C@H]1CCCCC[C@@H]1[NH2+]CCc1cc(C(F)(F)F)ccn1 ZINC000423133504 296382733 /nfs/dbraw/zinc/38/27/33/296382733.db2.gz KVLNATDAOBYMBY-KBPBESRZSA-N 2 0 301.356 2.893 20 0 DFADRP C[C@H](CCC[NH3+])[NH2+][C@H]1CCCN([C@H](C)c2ccc(F)cc2)C1=O ZINC000423135575 296382939 /nfs/dbraw/zinc/38/29/39/296382939.db2.gz NYFVGXXLSRVCSP-CPUCHLNUSA-N 2 0 321.440 2.595 20 0 DFADRP Cn1nc2c(c1C[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1)CCCC2 ZINC000423135674 296382970 /nfs/dbraw/zinc/38/29/70/296382970.db2.gz GBYKOERPDIYPSL-DJIMGWMZSA-N 2 0 316.493 2.699 20 0 DFADRP Cc1cccc2c1OC[C@H]([NH2+][C@H](C)c1ccc(C[NH3+])nc1C)C2 ZINC000423133766 296382474 /nfs/dbraw/zinc/38/24/74/296382474.db2.gz CWBZVNYWKRNTLB-RHSMWYFYSA-N 2 0 311.429 2.811 20 0 DFADRP C[C@@H]([NH2+]Cc1ccn(C)c1)c1ccc(OCC[NH+](C)C)cc1 ZINC000158446410 197273273 /nfs/dbraw/zinc/27/32/73/197273273.db2.gz IVMGYTVWXXDZBW-OAHLLOKOSA-N 2 0 301.434 2.816 20 0 DFADRP Cc1ccccc1[C@@H](C)[NH2+]Cc1cccnc1N1CC[NH+](C)CC1 ZINC000158503175 197280046 /nfs/dbraw/zinc/28/00/46/197280046.db2.gz NTDBAMREUOUOFH-QGZVFWFLSA-N 2 0 324.472 2.993 20 0 DFADRP CCN(C#N)CC[NH+]1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC000602773606 399566376 /nfs/dbraw/zinc/56/63/76/399566376.db2.gz UDXNHHBYPJDBDJ-UHFFFAOYSA-N 2 0 314.477 2.633 20 0 DFADRP CC[C@H]([NH2+][C@@H]1CCO[C@H](c2ccncc2)C1)[C@@H]1CCCC[NH2+]1 ZINC000423146578 296384787 /nfs/dbraw/zinc/38/47/87/296384787.db2.gz AXRPRCXASSIRQR-OWSLCNJRSA-N 2 0 303.450 2.812 20 0 DFADRP CO[C@@H]([C@H](C)[NH2+][C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)C1CC1 ZINC000423149423 296385555 /nfs/dbraw/zinc/38/55/55/296385555.db2.gz AOOFFUDFJRMNBK-BIGGFVEDSA-N 2 0 316.445 2.645 20 0 DFADRP CSc1ccc([C@H](C[NH2+][C@H](C)[C@@H]2CC[NH2+]C2)N(C)C)cc1 ZINC000423147639 296385101 /nfs/dbraw/zinc/38/51/01/296385101.db2.gz SLWGFOFHFIALKI-UNEWFSDZSA-N 2 0 307.507 2.599 20 0 DFADRP c1ccc2c(c1)SC[C@@H]2C[NH2+][C@@H]1CCOC[C@H]1[C@H]1CCC[NH2+]1 ZINC000423147131 296385186 /nfs/dbraw/zinc/38/51/86/296385186.db2.gz RCLBCNPGGMIPEP-QMCVQRASSA-N 2 0 318.486 2.623 20 0 DFADRP COc1ncc(C[NH2+][C@H](C)c2ccc(C[NH3+])nc2C)cc1Cl ZINC000423155970 296386100 /nfs/dbraw/zinc/38/61/00/296386100.db2.gz KIBDQNDBBJECCX-SNVBAGLBSA-N 2 0 320.824 2.757 20 0 DFADRP [NH3+]C1CCC([NH2+][C@H](CCO)c2cccc(C(F)(F)F)c2)CC1 ZINC000423154769 296385918 /nfs/dbraw/zinc/38/59/18/296385918.db2.gz IHPFKQGMCGAIPF-YMAMQOFZSA-N 2 0 316.367 2.988 20 0 DFADRP COCC[C@@H]([NH2+][C@@H](C)C1C[NH2+]C1)c1cccc(C(F)(F)F)c1 ZINC000423158091 296386060 /nfs/dbraw/zinc/38/60/60/296386060.db2.gz WFBQEJSACKKVHQ-XHDPSFHLSA-N 2 0 316.367 2.981 20 0 DFADRP c1ccc2c(c1)O[C@]1(CC[NH2+]C1)C[C@@H]2[NH2+]CCC[C@H]1CCOC1 ZINC000423161375 296386778 /nfs/dbraw/zinc/38/67/78/296386778.db2.gz NPUYDCRNJKRLJO-VDZJLULYSA-N 2 0 316.445 2.649 20 0 DFADRP CC(C)(C[C@@H]1CCC[N@@H+]([C@H]2C[C@H](N)c3ccccc32)C1)C(N)=O ZINC000423163495 296386842 /nfs/dbraw/zinc/38/68/42/296386842.db2.gz VPIMZZWNMUHKDI-JQFCIGGWSA-N 2 0 315.461 2.745 20 0 DFADRP C[NH+](C)[C@H](CC(=O)NC[C@H]1CC[N@@H+]1C(C)(C)C)c1ccccc1 ZINC000617009388 399570762 /nfs/dbraw/zinc/57/07/62/399570762.db2.gz XZWHIZVMYLAITB-IAGOWNOFSA-N 2 0 317.477 2.668 20 0 DFADRP Cc1ccc(CC[NH2+][C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)nc1 ZINC000423160982 296386586 /nfs/dbraw/zinc/38/65/86/296386586.db2.gz IGBWUOKJOUIKDR-QUCCMNQESA-N 2 0 323.440 2.778 20 0 DFADRP C[N@H+](CCC(=O)NC[C@H]1CC[NH+]1C(C)(C)C)C1CCCCC1 ZINC000617010192 399571433 /nfs/dbraw/zinc/57/14/33/399571433.db2.gz KNLWIRVJPRLZLP-MRXNPFEDSA-N 2 0 309.498 2.630 20 0 DFADRP C[N@@H+]1CCC[C@H](CC[NH2+][C@H]2CCN[C@@H](c3ccccc3)C2)C1 ZINC000423172994 296387907 /nfs/dbraw/zinc/38/79/07/296387907.db2.gz WJPRCESGBPCOSD-NZSAHSFTSA-N 2 0 301.478 2.801 20 0 DFADRP Cc1ccc2cc([C@@H](C)[NH2+]CCCN3CC[NH2+]CC3)oc2c1 ZINC000423175474 296388053 /nfs/dbraw/zinc/38/80/53/296388053.db2.gz APUHTGOUELUAFW-OAHLLOKOSA-N 2 0 301.434 2.687 20 0 DFADRP C[C@@H](Cc1ccc(F)cc1Br)[NH2+]C1CC[NH2+]CC1 ZINC000423175396 296388184 /nfs/dbraw/zinc/38/81/84/296388184.db2.gz AETDVJXBMHJGQY-JTQLQIEISA-N 2 0 315.230 2.861 20 0 DFADRP C[C@@H]1C[C@H]([NH2+][C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)CS1 ZINC000423176900 296388550 /nfs/dbraw/zinc/38/85/50/296388550.db2.gz GNJVCPHICZZRQL-IARIHHJXSA-N 2 0 304.459 2.726 20 0 DFADRP Cc1nc(-c2cccnc2)sc1[C@@H](C)[NH2+]C1CC[NH2+]CC1 ZINC000423176708 296388644 /nfs/dbraw/zinc/38/86/44/296388644.db2.gz CSXHZJZVLFUFHK-LLVKDONJSA-N 2 0 302.447 2.916 20 0 DFADRP CC[N@H+](C)Cc1cccc(C[NH2+][C@H](C)CCn2cccn2)c1 ZINC000157738458 197211470 /nfs/dbraw/zinc/21/14/70/197211470.db2.gz YRUFKCGIXLBTFH-MRXNPFEDSA-N 2 0 300.450 2.903 20 0 DFADRP COCC[C@H](COC)[NH2+]C1CC[NH+]([C@H]2CCCC[C@@H]2C)CC1 ZINC000353630685 285167919 /nfs/dbraw/zinc/16/79/19/285167919.db2.gz NIRKLMGBMQTSNT-JQHSSLGASA-N 2 0 312.498 2.671 20 0 DFADRP C[C@H]([NH2+]CCCN1CC[NH2+]CC1)C1(c2ccccc2)CCCC1 ZINC000423194718 296390816 /nfs/dbraw/zinc/39/08/16/296390816.db2.gz YILAZMKXOLIRQX-SFHVURJKSA-N 2 0 315.505 2.772 20 0 DFADRP C[NH2+]CCCN[C@@H]1CCCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000423201497 296391822 /nfs/dbraw/zinc/39/18/22/296391822.db2.gz PBCNMJVCAPDWQT-HSALFYBXSA-N 2 0 315.505 2.876 20 0 DFADRP COc1cc(C)c(C[C@H](C)[NH2+][C@H](C)[C@@H]2CCC[NH2+]C2)cc1OC ZINC000423205191 296392248 /nfs/dbraw/zinc/39/22/48/296392248.db2.gz BCUDXUILJVBNGU-ARFHVFGLSA-N 2 0 320.477 2.921 20 0 DFADRP Cc1ccc([C@@H]([NH2+]CCN2CC[NH2+]CC2)c2ccccc2)c(C)c1 ZINC000423211445 296392897 /nfs/dbraw/zinc/39/28/97/296392897.db2.gz YEQKMIAGAZQCLR-NRFANRHFSA-N 2 0 323.484 2.888 20 0 DFADRP CC[C@@H]([NH2+]CCN1CC[NH2+]CC1)c1ccc(Cl)c(Cl)c1 ZINC000423199764 296391948 /nfs/dbraw/zinc/39/19/48/296391948.db2.gz COCBGTMACVNREP-OAHLLOKOSA-N 2 0 316.276 2.939 20 0 DFADRP CCOC(=O)[C@@H]1CC[C@H]([NH2+]C[C@H]2CCC[NH2+]C2)c2ccccc21 ZINC000423216967 296393368 /nfs/dbraw/zinc/39/33/68/296393368.db2.gz STGHYHAUNOLJAD-QGTPRVQTSA-N 2 0 316.445 2.757 20 0 DFADRP COCCOc1ccc([C@@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000423219653 296393657 /nfs/dbraw/zinc/39/36/57/296393657.db2.gz WOIFYGJAPBKJEK-KTFSGNIMSA-N 2 0 304.434 2.645 20 0 DFADRP C[C@H]([NH2+][C@@H](C)[C@@H]1CCC[NH2+]C1)c1cccc(OCC[NH+](C)C)c1 ZINC000423218073 296393666 /nfs/dbraw/zinc/39/36/66/296393666.db2.gz RHKSFAVRRRKSEU-XYJFISCASA-N 3 0 319.493 2.666 20 0 DFADRP COC(=O)c1coc(CN2CCC[C@@H]([NH+]3CCCC3)CC2)c1 ZINC000157260059 197174075 /nfs/dbraw/zinc/17/40/75/197174075.db2.gz BUPAJMLCHYAILE-OAHLLOKOSA-N 2 0 306.406 2.517 20 0 DFADRP C[C@@H]1[C@H]([NH2+]C2CCC([NH3+])CC2)CCCN1Cc1ccccc1 ZINC000423228807 296394604 /nfs/dbraw/zinc/39/46/04/296394604.db2.gz FGCLDEIXUZGLCK-JYPHPWERSA-N 2 0 301.478 2.899 20 0 DFADRP Cc1ccc([C@@H](CCn2cncn2)[NH2+]C2CCC([NH3+])CC2)cc1 ZINC000423229161 296394673 /nfs/dbraw/zinc/39/46/73/296394673.db2.gz GOMVHFOWQKLUSN-DAWZGUTISA-N 2 0 313.449 2.577 20 0 DFADRP CCC(C)(C)[NH2+][C@H](C)C(=O)NC[C@@H]1CC[N@@H+]1Cc1ccccc1 ZINC000620770544 399588377 /nfs/dbraw/zinc/58/83/77/399588377.db2.gz AWTCKWNVNDBQQF-WBVHZDCISA-N 2 0 317.477 2.544 20 0 DFADRP c1ccc(C[N@H+]2CC[C@H](NC[C@@H]3CCC[NH2+]3)[C@@H]3CCC[C@H]32)cc1 ZINC000423238271 296395899 /nfs/dbraw/zinc/39/58/99/296395899.db2.gz QZSKMFFHIMJTAW-LWYYNNOASA-N 2 0 313.489 2.771 20 0 DFADRP CC[C@@H]1[NH2+]CC[C@H]1N[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000629387820 399589925 /nfs/dbraw/zinc/58/99/25/399589925.db2.gz GBFDPBVQMKSKAL-WZGPROSRSA-N 2 0 301.478 2.770 20 0 DFADRP COc1ccc([C@H](C)[C@H](C)[NH2+]CC[C@@H]2CC[NH2+]C2)cc1OC ZINC000423248128 296396744 /nfs/dbraw/zinc/39/67/44/296396744.db2.gz MRBWNNDPPDKFMZ-ILXRZTDVSA-N 2 0 306.450 2.785 20 0 DFADRP Fc1ccc(N2CCC([NH2+]CC[C@H]3CC[NH2+]C3)CC2)c(F)c1 ZINC000423252762 296397173 /nfs/dbraw/zinc/39/71/73/296397173.db2.gz UOVWTNZOCZWYJZ-CYBMUJFWSA-N 2 0 309.404 2.523 20 0 DFADRP Cn1cc([C@@H]([NH2+]CC[C@@H]2CCC[NH2+]C2)c2cccc(F)c2)cn1 ZINC000423256758 296397446 /nfs/dbraw/zinc/39/74/46/296397446.db2.gz FWBWMCSQBQCAML-KSSFIOAISA-N 2 0 316.424 2.628 20 0 DFADRP CC[C@H]([NH2+]CC[C@@H]1CCC[NH2+]C1)c1ccc2c(c1)OCCO2 ZINC000423255642 296397497 /nfs/dbraw/zinc/39/74/97/296397497.db2.gz COUKGRKIOGIZFW-HOCLYGCPSA-N 2 0 304.434 2.888 20 0 DFADRP COc1ccc([C@@H](C)[NH2+]CC[C@H]2CCC[NH2+]C2)cc1NC(C)=O ZINC000423260317 296397648 /nfs/dbraw/zinc/39/76/48/296397648.db2.gz PYRFGWLSTXWYDF-UKRRQHHQSA-N 2 0 319.449 2.694 20 0 DFADRP C[C@H]([NH2+]CC[C@H]1CCC[NH2+]C1)c1ccc(OCC[NH+](C)C)cc1 ZINC000423262316 296397855 /nfs/dbraw/zinc/39/78/55/296397855.db2.gz VBFNVDQMTPJNSC-DLBZAZTESA-N 3 0 319.493 2.667 20 0 DFADRP CC(C)C[C@H](C[NH3+])N[C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]12 ZINC000423269680 296399013 /nfs/dbraw/zinc/39/90/13/296399013.db2.gz WDZWZPLBOAOYBV-UAFMIMERSA-N 2 0 315.505 2.860 20 0 DFADRP C[NH2+]C[C@H](C)C[NH2+][C@H](C)Cc1ccc(F)cc1Br ZINC000423270712 296399270 /nfs/dbraw/zinc/39/92/70/296399270.db2.gz IDKDIQMYZSDRKP-WDEREUQCSA-N 2 0 317.246 2.964 20 0 DFADRP CC(C)[C@H]([NH3+])CNC1CC[NH+]([C@@H](C)Cc2ccccc2)CC1 ZINC000423271337 296399330 /nfs/dbraw/zinc/39/93/30/296399330.db2.gz IYKRTRWJBZTMAR-QFBILLFUSA-N 2 0 303.494 2.655 20 0 DFADRP CC(C)(C)C1CCC(C[NH2+]Cc2cn([C@H]3CC[NH2+]C3)nn2)CC1 ZINC000629405345 399595109 /nfs/dbraw/zinc/59/51/09/399595109.db2.gz JATHSWWDIODDJY-DQPZFDDXSA-N 2 0 319.497 2.755 20 0 DFADRP C[NH2+]C[C@H](C)CNC1CC[NH+]([C@@H](C)Cc2ccccc2)CC1 ZINC000423273655 296399574 /nfs/dbraw/zinc/39/95/74/296399574.db2.gz LHGRRGMCOPQSOC-IRXDYDNUSA-N 2 0 303.494 2.527 20 0 DFADRP C[C@@H](C[NH2+]Cc1cn([C@H]2CC[NH2+]C2)nn1)CC1CCCCC1 ZINC000629407025 399595553 /nfs/dbraw/zinc/59/55/53/399595553.db2.gz VRUNFNQSJWPARF-PBHICJAKSA-N 2 0 305.470 2.509 20 0 DFADRP C[NH2+]C[C@@H](C)C[NH2+][C@@H](C)c1ccc(OC(F)F)c(OC)c1 ZINC000423267912 296398524 /nfs/dbraw/zinc/39/85/24/296398524.db2.gz FNKUXGBLDVHUHG-MNOVXSKESA-N 2 0 302.365 2.803 20 0 DFADRP C[NH2+]C[C@H](C)CN[C@@H]1CC[N@H+](Cc2ccccc2)[C@H]2CCC[C@@H]21 ZINC000423274578 296399669 /nfs/dbraw/zinc/39/96/69/296399669.db2.gz MBSLVPSXSONVDI-NBYUQASBSA-N 2 0 315.505 2.875 20 0 DFADRP COc1cc2c(cc1OC)[C@H]([NH2+]CC[C@@H]1CCC[NH2+]C1)CC2 ZINC000423279983 296400362 /nfs/dbraw/zinc/40/03/62/296400362.db2.gz TWYVAGPKKKTPFV-XJKSGUPXSA-N 2 0 304.434 2.670 20 0 DFADRP C[C@@H]([NH2+]CCN1CC[NH+](Cc2ccccc2)CC1)c1ccncc1 ZINC000156407934 197111406 /nfs/dbraw/zinc/11/14/06/197111406.db2.gz MCULTCLSEGINCV-GOSISDBHSA-N 2 0 324.472 2.550 20 0 DFADRP CCC[NH+]1CCC(NC(=O)C(C)(C)[C@H]([NH3+])c2ccccc2)CC1 ZINC000423303674 296402449 /nfs/dbraw/zinc/40/24/49/296402449.db2.gz JFBABCOPMIDDAI-QGZVFWFLSA-N 2 0 317.477 2.703 20 0 DFADRP CC[C@H]([NH2+]CC1(C)CC[NH2+]CC1)c1ccc(C(=O)OC)cc1 ZINC000423321559 296404138 /nfs/dbraw/zinc/40/41/38/296404138.db2.gz GLNSKEMSTOVJIU-INIZCTEOSA-N 2 0 304.434 2.904 20 0 DFADRP CC[N@@H+]1CC[C@@H]([NH2+]CCCc2nc3ccccc3[nH]2)[C@H](C)C1 ZINC000156159366 197090661 /nfs/dbraw/zinc/09/06/61/197090661.db2.gz SAUKSCYLXPYVBL-HUUCEWRRSA-N 2 0 300.450 2.815 20 0 DFADRP C[C@@H]([NH2+]CCCC[NH3+])c1ccccc1I ZINC000423330031 296405291 /nfs/dbraw/zinc/40/52/91/296405291.db2.gz LQYHXAULESYDAI-SNVBAGLBSA-N 2 0 318.202 2.681 20 0 DFADRP Brc1ccc2c(c1)CC[C@H]2[NH2+]CC1=CC[NH2+]CC1 ZINC000423350205 296407507 /nfs/dbraw/zinc/40/75/07/296407507.db2.gz YVJQHSGLOYIXQB-OAHLLOKOSA-N 2 0 307.235 2.946 20 0 DFADRP CC1(C)CCC[NH2+][C@H]1C(=O)NC1CC[NH+](CC2CCCC2)CC1 ZINC000423357217 296408126 /nfs/dbraw/zinc/40/81/26/296408126.db2.gz LUPBKNJANNXMPC-KRWDZBQOSA-N 2 0 321.509 2.535 20 0 DFADRP CC(C)Oc1ccc([C@H](C)[NH2+][C@H](C)CN2CC[NH+](C)CC2)cc1 ZINC000155060980 197017856 /nfs/dbraw/zinc/01/78/56/197017856.db2.gz PPKVBFRZVOEKCH-SJORKVTESA-N 2 0 319.493 2.760 20 0 DFADRP CC(C)[C@H](C(=O)N1CCC[C@@H](C[NH+]2CCC(C)CC2)C1)[C@H](C)[NH3+] ZINC000423363755 296408672 /nfs/dbraw/zinc/40/86/72/296408672.db2.gz VEVUGOIMCZRMJU-BZSNNMDCSA-N 2 0 323.525 2.576 20 0 DFADRP COc1ccc(CCC[NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)cc1OC ZINC000155192960 197030944 /nfs/dbraw/zinc/03/09/44/197030944.db2.gz ICFKLQWHVYHGIG-GDBMZVCRSA-N 2 0 306.450 2.709 20 0 DFADRP CCOc1ccccc1[C@H](C)[NH2+]CC1(COC)CC[NH2+]CC1 ZINC000423378519 296410761 /nfs/dbraw/zinc/41/07/61/296410761.db2.gz CEYLKBGBUOJNDQ-HNNXBMFYSA-N 2 0 306.450 2.752 20 0 DFADRP CO[C@@H]1C[C@@H](C[NH+]2CCCC2)N(c2cc[nH+]c3ccccc32)C1 ZINC000347895717 285230169 /nfs/dbraw/zinc/23/01/69/285230169.db2.gz FWLAGTBJBMLMCK-JKSUJKDBSA-N 2 0 311.429 2.924 20 0 DFADRP C[C@H](Cc1ccccc1)[NH+]1CCC(N[C@@H]2CC[NH2+][C@H](C)C2)CC1 ZINC000423381145 296410597 /nfs/dbraw/zinc/41/05/97/296410597.db2.gz NLQGCFRGEJWOAW-MBOZVWFJSA-N 2 0 315.505 2.812 20 0 DFADRP OC(C[NH+]1CCC[C@H](C2CC2)C1)C[N@@H+]1CCC[C@H](C2CC2)C1 ZINC000344052860 285231825 /nfs/dbraw/zinc/23/18/25/285231825.db2.gz INCLPPQNQYUYRX-ROUUACIJSA-N 2 0 306.494 2.591 20 0 DFADRP C[C@H]1C[NH2+]CC[C@@H]1[NH2+]C1CCN(c2ccc(F)cc2F)CC1 ZINC000423387082 296411393 /nfs/dbraw/zinc/41/13/93/296411393.db2.gz HMFAEYLWNOUMNO-LRDDRELGSA-N 2 0 309.404 2.521 20 0 DFADRP C[C@@H](CCC(C)(C)C)[NH2+]C[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000423396593 296412201 /nfs/dbraw/zinc/41/22/01/296412201.db2.gz RUIOTHBTZAAYFP-STQMWFEESA-N 2 0 309.420 2.627 20 0 DFADRP CC[C@H]([NH2+]C[C@@H](N1CC[NH2+]CC1)C(F)(F)F)c1ccccc1 ZINC000423395408 296412209 /nfs/dbraw/zinc/41/22/09/296412209.db2.gz SNQWKDLQKOKECW-LSDHHAIUSA-N 2 0 315.383 2.563 20 0 DFADRP C[C@H]([NH2+][C@H]1CCC[C@H]([NH3+])C1)c1ccc(OCC[NH+](C)C)cc1 ZINC000423398140 296412572 /nfs/dbraw/zinc/41/25/72/296412572.db2.gz TZRQYYJQCOPHRN-XIRDDKMYSA-N 3 0 305.466 2.548 20 0 DFADRP COCC1(C[NH2+][C@H]2CCC[C@H](c3cccnc3)C2)CC[NH2+]CC1 ZINC000423403497 296412983 /nfs/dbraw/zinc/41/29/83/296412983.db2.gz HXACFRBNFVAGDV-WMZOPIPTSA-N 2 0 317.477 2.714 20 0 DFADRP COCC1(C[NH2+][C@H]2c3cc(C)ccc3C[C@@H]2C)CC[NH2+]CC1 ZINC000423405948 296413146 /nfs/dbraw/zinc/41/31/46/296413146.db2.gz JXGDFRFBYWCVSP-MAUKXSAKSA-N 2 0 302.462 2.834 20 0 DFADRP COCC1(C[NH2+][C@@H]2CCCOc3cc(F)ccc32)CC[NH2+]CC1 ZINC000423411906 296414012 /nfs/dbraw/zinc/41/40/12/296414012.db2.gz VTVIVYKXNVXGFT-MRXNPFEDSA-N 2 0 322.424 2.645 20 0 DFADRP C[C@H]([NH3+])c1ccc(C(=O)N2CCC[C@H]([NH+]3CCCC3)CC2)cc1 ZINC000423415880 296414698 /nfs/dbraw/zinc/41/46/98/296414698.db2.gz BMPGALBTADIMDA-YJBOKZPZSA-N 2 0 315.461 2.797 20 0 DFADRP COC(=O)c1csc([C@@H](C)[NH2+]C[C@H]2CC[C@H](C[NH3+])CC2)c1 ZINC000423421892 296415101 /nfs/dbraw/zinc/41/51/01/296415101.db2.gz KSFMXPYRLRVOJU-JHJVBQTASA-N 2 0 310.463 2.950 20 0 DFADRP COc1ccc([C@@H](C)[NH2+][C@@H]2C[C@H]2C2CC[NH2+]CC2)c(OC)c1 ZINC000423446172 296417372 /nfs/dbraw/zinc/41/73/72/296417372.db2.gz SPFSVIPPBIGJPO-OAUYIBNBSA-N 2 0 304.434 2.743 20 0 DFADRP COCCOc1ccc([C@@H](C)[NH2+][C@@H]2C[C@H]2C2CC[NH2+]CC2)cc1 ZINC000423431354 296416188 /nfs/dbraw/zinc/41/61/88/296416188.db2.gz IUOWYBRQHLOUBY-MDASCCDHSA-N 2 0 318.461 2.751 20 0 DFADRP C[C@H]([NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1)c1ccc(F)cc1N(C)C ZINC000423434969 296416509 /nfs/dbraw/zinc/41/65/09/296416509.db2.gz KXCWYUJACWRUCS-AFAVFJNCSA-N 2 0 305.441 2.930 20 0 DFADRP C[NH+]1CCC2(CC[N@H+](CCCCC(=O)OC(C)(C)C)C2)CC1 ZINC000602878954 399613474 /nfs/dbraw/zinc/61/34/74/399613474.db2.gz WBXUTEOSVJXSSA-UHFFFAOYSA-N 2 0 310.482 2.916 20 0 DFADRP Cc1c([C@H](C)[NH2+][C@H](C)CCC[NH3+])nnn1-c1ccc(C)cc1 ZINC000423454847 296417919 /nfs/dbraw/zinc/41/79/19/296417919.db2.gz MBORBHNJVJVKLZ-KGLIPLIRSA-N 2 0 301.438 2.662 20 0 DFADRP Fc1ccc([C@@H]([NH2+]CCC[C@@H]2CCC[NH2+]2)c2cnccn2)cc1 ZINC000423475496 296419738 /nfs/dbraw/zinc/41/97/38/296419738.db2.gz IBWNEGYLSDWZFP-FUHWJXTLSA-N 2 0 314.408 2.827 20 0 DFADRP [NH3+]C[C@H]1CC[C@@H]([NH2+]C2CCN(c3ccc(F)cc3F)CC2)C1 ZINC000423496061 296422233 /nfs/dbraw/zinc/42/22/33/296422233.db2.gz VZNOMZNIFMLOSJ-SWLSCSKDSA-N 2 0 309.404 2.651 20 0 DFADRP CCOC[C@H]1CCC[C@H]1[NH2+]CC1([NH3+])C2CC3CC(C2)CC1C3 ZINC000423515496 296424850 /nfs/dbraw/zinc/42/48/50/296424850.db2.gz AARLDLVICOSUPT-OEOKKZFJSA-N 2 0 306.494 2.935 20 0 DFADRP c1ccc(C[C@@H]([NH2+]CCC2=CC[NH2+]CC2)c2cccnc2)nc1 ZINC000423537264 296427817 /nfs/dbraw/zinc/42/78/17/296427817.db2.gz JKGCYZKVADEEKK-LJQANCHMSA-N 2 0 308.429 2.660 20 0 DFADRP COc1ccc(CN(C)C[C@H]2CC[N@H+](C)C2)cc1OC(F)F ZINC000120659305 195211054 /nfs/dbraw/zinc/21/10/54/195211054.db2.gz PJYKKHIAAQCCTK-ZDUSSCGKSA-N 2 0 314.376 2.680 20 0 DFADRP COCCc1nc(C)c([C@H](C)[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)s1 ZINC000423551207 296429044 /nfs/dbraw/zinc/42/90/44/296429044.db2.gz UEKHRHPJWXRIAA-CYUUQNCZSA-N 2 0 323.506 2.679 20 0 DFADRP C[C@@H](Cc1ccccc1)[NH+]1CCC(NCCC[NH2+]C2CC2)CC1 ZINC000423561134 296429273 /nfs/dbraw/zinc/42/92/73/296429273.db2.gz PVGHWECZODHJKA-KRWDZBQOSA-N 2 0 315.505 2.814 20 0 DFADRP COc1ccc2c(c1)[C@@H]([NH2+]CCC1=CC[NH2+]CC1)CCCO2 ZINC000423542094 296428027 /nfs/dbraw/zinc/42/80/27/296428027.db2.gz SUQLJJWNSKMXIV-KRWDZBQOSA-N 2 0 302.418 2.808 20 0 DFADRP COc1ccc2c(c1)[C@H]([NH2+]CCC1=CC[NH2+]CC1)CCCO2 ZINC000423542096 296428205 /nfs/dbraw/zinc/42/82/05/296428205.db2.gz SUQLJJWNSKMXIV-QGZVFWFLSA-N 2 0 302.418 2.808 20 0 DFADRP COc1ccc2c(c1)[C@H]([NH2+][C@@H]1CC[C@H]3C[NH2+]C[C@@H]3C1)CCCO2 ZINC000423544156 296428503 /nfs/dbraw/zinc/42/85/03/296428503.db2.gz ODNHMBYVUNOHTD-OIPACUDHSA-N 2 0 316.445 2.887 20 0 DFADRP CCOc1ccccc1C[NH+]1CCC(C[NH+]2CCOCC2)CC1 ZINC000120715057 195223019 /nfs/dbraw/zinc/22/30/19/195223019.db2.gz RNVPSTRZMQQSNH-UHFFFAOYSA-N 2 0 318.461 2.630 20 0 DFADRP Cc1cccc([C@H](C)[NH2+]C[C@H](C)CN2CC[NH+](C)CC2)c1C ZINC000120839797 195247352 /nfs/dbraw/zinc/24/73/52/195247352.db2.gz XDGZYFYXWPBUDG-YJBOKZPZSA-N 2 0 303.494 2.838 20 0 DFADRP [NH3+]C[C@@H](NC(=O)C12CCC[NH+]1CCC2)c1ccc2ccccc2c1 ZINC000423592323 296431387 /nfs/dbraw/zinc/43/13/87/296431387.db2.gz DIHSHYIURUTBGN-GOSISDBHSA-N 2 0 323.440 2.584 20 0 DFADRP C[C@@H]([NH2+][C@H]1CCO[C@H](C)C1)c1ccc(OCC[NH+](C)C)cc1 ZINC000271603266 209050650 /nfs/dbraw/zinc/05/06/50/209050650.db2.gz ZUWBXNKARRQMAU-INMHGKMJSA-N 2 0 306.450 2.845 20 0 DFADRP CC[C@H]([NH2+]C[C@H](C)CN1CC[NH+](C)CC1)c1ccc(OC)cc1 ZINC000120904439 195262071 /nfs/dbraw/zinc/26/20/71/195262071.db2.gz VENMBHURLJVHMR-LPHOPBHVSA-N 2 0 319.493 2.619 20 0 DFADRP C[C@@H]([NH2+]CC1CC[NH+](CCO)CC1)c1ccc(F)cc1Cl ZINC000151816206 196731665 /nfs/dbraw/zinc/73/16/65/196731665.db2.gz UBKFDKNWLLXGEP-GFCCVEGCSA-N 2 0 314.832 2.834 20 0 DFADRP COCCOCc1ccc(C[NH2+][C@@H]2CCC[C@H]([NH+](C)C)C2)cc1 ZINC000289528911 221043491 /nfs/dbraw/zinc/04/34/91/221043491.db2.gz BSPPRZQWJPBEBF-MOPGFXCFSA-N 2 0 320.477 2.812 20 0 DFADRP CC[N@H+](Cc1c(C)cnn1C)Cc1ccc(C[NH+](C)C)cc1 ZINC000289569770 221075121 /nfs/dbraw/zinc/07/51/21/221075121.db2.gz ZPENFBAYJFPJDV-UHFFFAOYSA-N 2 0 300.450 2.812 20 0 DFADRP C[C@H]([NH2+]C[C@](C)(O)C1CC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000348039494 285311196 /nfs/dbraw/zinc/31/11/96/285311196.db2.gz MEOMMUGRVZMOIV-WDYCEAGBSA-N 2 0 302.462 2.648 20 0 DFADRP C[C@H]([NH3+])C[C@H](C)[NH2+][C@@H]1Cc2ccccc2O[C@H]1C(F)(F)F ZINC000629513113 399631038 /nfs/dbraw/zinc/63/10/38/399631038.db2.gz IEWJVAHUOLPQCG-BQSGVUBFSA-N 2 0 302.340 2.636 20 0 DFADRP C[C@@H]([NH2+]CC1([NH3+])CCOCC1)c1cccc(-c2ccncc2)c1 ZINC000629521866 399634733 /nfs/dbraw/zinc/63/47/33/399634733.db2.gz SOSMQZKQRWVOPC-OAHLLOKOSA-N 2 0 311.429 2.907 20 0 DFADRP Cc1nccn1CCN1CCCC[C@@H]1c1nnc(C(C)C)[nH]1 ZINC000289900271 221302961 /nfs/dbraw/zinc/30/29/61/221302961.db2.gz SUGKZTMMDGEDCM-CQSZACIVSA-N 2 0 302.426 2.660 20 0 DFADRP C[NH2+]CCOCC[NH2+][C@@H]1CCSc2c(Cl)cccc21 ZINC000629528594 399636902 /nfs/dbraw/zinc/63/69/02/399636902.db2.gz DLGXPRXGFQCLGE-CYBMUJFWSA-N 2 0 300.855 2.703 20 0 DFADRP C[C@@H](CCC[NH3+])NC(=O)C1(C)CC[NH+](Cc2ccccc2)CC1 ZINC000423695423 296439724 /nfs/dbraw/zinc/43/97/24/296439724.db2.gz VTYMBWAYENMGSB-INIZCTEOSA-N 2 0 317.477 2.532 20 0 DFADRP C[NH2+]CCOCC[NH2+][C@H]1CCCc2c3cc(C)ccc3[nH]c21 ZINC000629530439 399637295 /nfs/dbraw/zinc/63/72/95/399637295.db2.gz HCCINEFYOKMTRW-KRWDZBQOSA-N 2 0 301.434 2.679 20 0 DFADRP CC[N@@H+]1CC[C@H](C[NH2+][C@H](C)c2ccc(Br)nc2)C1 ZINC000289951602 221337921 /nfs/dbraw/zinc/33/79/21/221337921.db2.gz WOMCLDNRKBNZGY-VXGBXAGGSA-N 2 0 312.255 2.837 20 0 DFADRP Cc1cc(C[NH2+]C2CC[NH+](C[C@@H]3CCOC3)CC2)cc(C)c1O ZINC000289967797 221347869 /nfs/dbraw/zinc/34/78/69/221347869.db2.gz BOPKKRVCHYPJJO-INIZCTEOSA-N 2 0 318.461 2.600 20 0 DFADRP C[NH2+]CCOCC[NH2+][C@H]1CCc2cc(Cl)cc(Cl)c21 ZINC000629529912 399638062 /nfs/dbraw/zinc/63/80/62/399638062.db2.gz QGWGBWUCNRFNTD-ZDUSSCGKSA-N 2 0 303.233 2.806 20 0 DFADRP CC[C@H]([NH2+]CCOCCC[NH3+])c1cc(Cl)ccc1OC ZINC000629534526 399639164 /nfs/dbraw/zinc/63/91/64/399639164.db2.gz AMTCVZCBSCJREM-AWEZNQCLSA-N 2 0 300.830 2.755 20 0 DFADRP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)Nc1cccc(C[NH+](CC)CC)c1 ZINC000290033330 221391740 /nfs/dbraw/zinc/39/17/40/221391740.db2.gz RYWUOLXITCUBGK-IRXDYDNUSA-N 2 0 303.450 2.855 20 0 DFADRP COc1ccc([C@H]2CCCC[C@H]2[NH2+]CCOCCC[NH3+])cc1F ZINC000629542258 399641346 /nfs/dbraw/zinc/64/13/46/399641346.db2.gz XGPAHLQNOIEKIR-NVXWUHKLSA-N 2 0 324.440 2.816 20 0 DFADRP O[C@H](C[NH2+]C1CCC(c2ccc(F)cc2)CC1)C[NH+]1CCCC1 ZINC000629575565 399653468 /nfs/dbraw/zinc/65/34/68/399653468.db2.gz SYAIOAMVOJMPAQ-NKELODKYSA-N 2 0 320.452 2.898 20 0 DFADRP C[N@H+](CCOCC[NH3+])Cc1ccc(OCc2ccccc2)cc1 ZINC000629577914 399653501 /nfs/dbraw/zinc/65/35/01/399653501.db2.gz FJXXRKUJEKKVSB-UHFFFAOYSA-N 2 0 314.429 2.673 20 0 DFADRP CC(C)c1ccc(O[C@@H](C)C[NH2+]C[C@@H](O)C[NH+]2CCCC2)cc1 ZINC000629581112 399653983 /nfs/dbraw/zinc/65/39/83/399653983.db2.gz NMHSBGBXUCKOGE-FUHWJXTLSA-N 2 0 320.477 2.624 20 0 DFADRP CC[C@H](c1ccc(Br)cc1)[N@H+](C)CCOCC[NH3+] ZINC000629577443 399654228 /nfs/dbraw/zinc/65/42/28/399654228.db2.gz IAQMRMXOTJPSBO-CQSZACIVSA-N 2 0 315.255 2.807 20 0 DFADRP CCc1ccc(C2CC[NH+](C[C@@H]3CCC4(C[NH2+]C4)O3)CC2)cc1 ZINC000629584091 399656324 /nfs/dbraw/zinc/65/63/24/399656324.db2.gz NWVRQSUGMQAEIY-IBGZPJMESA-N 2 0 314.473 2.949 20 0 DFADRP C[C@@H]([NH2+]CCN1CC[C@H](O)C1)C(c1ccccc1)c1ccccc1 ZINC000624335628 399642986 /nfs/dbraw/zinc/64/29/86/399642986.db2.gz WSVAQUAOWJJHIU-XLIONFOSSA-N 2 0 324.468 2.863 20 0 DFADRP [NH3+][C@@H]1CCC[C@@H]([NH2+][C@@H]2CCN(c3ccc(Cl)cc3F)C2)C1 ZINC000629544641 399643043 /nfs/dbraw/zinc/64/30/43/399643043.db2.gz JTAUJSUPNOZEDD-MGPQQGTHSA-N 2 0 311.832 2.917 20 0 DFADRP C[C@H]([NH2+]CCN1CC[C@H](O)C1)C(c1ccccc1)c1ccccc1 ZINC000624335627 399643477 /nfs/dbraw/zinc/64/34/77/399643477.db2.gz WSVAQUAOWJJHIU-PXNSSMCTSA-N 2 0 324.468 2.863 20 0 DFADRP C(c1nc(C2CCCC2)no1)C1CC[NH+](C[C@@H]2CC[NH2+]C2)CC1 ZINC000629552321 399645123 /nfs/dbraw/zinc/64/51/23/399645123.db2.gz HNHOFCLAHSGNPT-OAHLLOKOSA-N 2 0 318.465 2.591 20 0 DFADRP CC(C)(C[NH2+]C[C@H](O)C[NH+]1CCCC1)c1cccc(Cl)c1 ZINC000629559936 399649083 /nfs/dbraw/zinc/64/90/83/399649083.db2.gz VOLVCURVLZTGKF-INIZCTEOSA-N 2 0 310.869 2.664 20 0 DFADRP COc1ccc([C@@H]([NH2+][C@H](C)C2CC[NH+](C)CC2)C2CC2)cn1 ZINC000624345559 399649694 /nfs/dbraw/zinc/64/96/94/399649694.db2.gz MGLFHRZAURAMBN-ACJLOTCBSA-N 2 0 303.450 2.861 20 0 DFADRP C[C@]1(C[NH+]2CCC(Cc3nc(C4CCC4)no3)CC2)CC[NH2+]C1 ZINC000629665816 399683236 /nfs/dbraw/zinc/68/32/36/399683236.db2.gz PQUGAIRTLWHHKS-SFHVURJKSA-N 2 0 318.465 2.591 20 0 DFADRP Fc1ccc(/C=C/C[NH+]2CCC(CO[C@H]3CC[NH2+]C3)CC2)cc1 ZINC000629672633 399684882 /nfs/dbraw/zinc/68/48/82/399684882.db2.gz NQGONVVWXCXZBE-SNDJDQCESA-N 2 0 318.436 2.929 20 0 DFADRP C[NH+](C)Cc1ccc(-c2cccc(C[C@H](C[NH3+])CO)c2)cc1F ZINC000629709130 399697057 /nfs/dbraw/zinc/69/70/57/399697057.db2.gz PWMVUIIVPGWYSP-OAHLLOKOSA-N 2 0 316.420 2.664 20 0 DFADRP C[NH+](C)CCc1ccc(-c2ccc(N3CC[NH2+]CC3)cc2)cc1 ZINC000629732406 399706027 /nfs/dbraw/zinc/70/60/27/399706027.db2.gz UOYSYNUSABHZQW-UHFFFAOYSA-N 2 0 309.457 2.867 20 0 DFADRP Cc1ccc(C[C@H](C[NH3+])CO)cc1-c1ccc([C@H](C)[NH3+])c(F)c1 ZINC000629737845 399708765 /nfs/dbraw/zinc/70/87/65/399708765.db2.gz NFQPGLCTBKCAKM-DZGCQCFKSA-N 2 0 316.420 2.931 20 0 DFADRP CC(C)[C@H]([NH2+][C@H](C)C1CC[NH+](C)CC1)c1nc(C2CC2)no1 ZINC000089670928 542531755 /nfs/dbraw/zinc/53/17/55/542531755.db2.gz PWSXXAXXRCGPDF-DOMZBBRYSA-N 2 0 306.454 2.964 20 0 DFADRP CC[N@@H+]1CC[C@H](CN[C@H]2C[NH+](Cc3ccccc3)C(C)(C)C2)C1 ZINC000090169661 542534856 /nfs/dbraw/zinc/53/48/56/542534856.db2.gz YKFKUZWDBGPYMZ-RTBURBONSA-N 2 0 315.505 2.971 20 0 DFADRP COC1(C[NH2+]C2CC[NH+]([C@H]3CCCC[C@H]3C)CC2)CCOCC1 ZINC000090650845 542538040 /nfs/dbraw/zinc/53/80/40/542538040.db2.gz DNVNYMCDDUCCIK-AEFFLSMTSA-N 2 0 324.509 2.815 20 0 DFADRP CCOC[C@H]1CCC[N@H+](Cc2ccc(OCC[NH+](C)C)cc2)C1 ZINC000093418938 542554003 /nfs/dbraw/zinc/55/40/03/542554003.db2.gz QIVZKJHHSDTIQU-SFHVURJKSA-N 2 0 320.477 2.876 20 0 DFADRP C[C@@H]1C[N@@H+](Cc2ccc(OCC[NH+](C)C)cc2)C[C@H](C)S1 ZINC000092540359 542548395 /nfs/dbraw/zinc/54/83/95/542548395.db2.gz BZJNHOUJARCTCW-GASCZTMLSA-N 2 0 308.491 2.953 20 0 DFADRP OC[C@@H]1CC[C@H]([NH2+][C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)C1 ZINC000295039839 224397357 /nfs/dbraw/zinc/39/73/57/224397357.db2.gz MNVXLULSBYGWQB-JAZQRGJZSA-N 2 0 314.473 2.648 20 0 DFADRP O[C@@H]1c2ccccc2C[C@@H]1[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000182792128 285337885 /nfs/dbraw/zinc/33/78/85/285337885.db2.gz NLFRKBZUGZCLMC-YTQUADARSA-N 2 0 300.446 2.595 20 0 DFADRP CCC[NH+]1CCC([NH2+][C@H](C)c2cccc(-n3ccnn3)c2)CC1 ZINC000348085777 285337221 /nfs/dbraw/zinc/33/72/21/285337221.db2.gz MXISVAADMVMYCL-OAHLLOKOSA-N 2 0 313.449 2.792 20 0 DFADRP C[NH+](C)Cc1ccc(C[NH2+][C@H]2CCO[C@H](C(F)(F)F)C2)cc1 ZINC000348100221 285348923 /nfs/dbraw/zinc/34/89/23/285348923.db2.gz FNTPZHOPAUIKFJ-GJZGRUSLSA-N 2 0 316.367 2.948 20 0 DFADRP CC(C)C[C@H](CN(C)C)[NH2+][C@H](C)c1cccc(-n2ccnn2)c1 ZINC000348117009 285360023 /nfs/dbraw/zinc/36/00/23/285360023.db2.gz WOYRTVPGXZFGKV-NVXWUHKLSA-N 2 0 315.465 2.894 20 0 DFADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+][C@@H](C)c2ccccc2F)CC1 ZINC000121101134 195293658 /nfs/dbraw/zinc/29/36/58/195293658.db2.gz NCRIQRJXMTXPAZ-HOTGVXAUSA-N 2 0 307.457 2.750 20 0 DFADRP Cc1cc(F)ccc1C[N@@H+](C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000121124432 195296497 /nfs/dbraw/zinc/29/64/97/195296497.db2.gz YKAGVFOAQJTDQO-HNNXBMFYSA-N 2 0 308.441 2.659 20 0 DFADRP CC[N@@H+]1CCC[C@H](C[NH2+]C2CCN(c3nc(C)cs3)CC2)C1 ZINC000121812252 195353250 /nfs/dbraw/zinc/35/32/50/195353250.db2.gz LDRKAWQEKBABQI-OAHLLOKOSA-N 2 0 322.522 2.742 20 0 DFADRP Cc1cc(C[NH+](C)C)cc(NC(=O)[C@@H]2[NH2+]CCCC2(C)C)c1 ZINC000423792844 296448842 /nfs/dbraw/zinc/44/88/42/296448842.db2.gz WFQRUOSRZBVMCT-INIZCTEOSA-N 2 0 303.450 2.773 20 0 DFADRP C[C@@H]([NH2+]CCC1CC[NH+](C)CC1)c1ccc(-n2cncn2)cc1 ZINC000125479881 195754180 /nfs/dbraw/zinc/75/41/80/195754180.db2.gz QVBXYTWKRDEHJK-OAHLLOKOSA-N 2 0 313.449 2.650 20 0 DFADRP CCCCNC(=O)[C@H](C)[N@H+](CC)Cc1ccc(C[NH+](C)C)cc1 ZINC000626062360 399741269 /nfs/dbraw/zinc/74/12/69/399741269.db2.gz PSKBQOBAXNBCCD-INIZCTEOSA-N 2 0 319.493 2.875 20 0 DFADRP C[C@@H]([NH2+][C@@H]1CCN(c2ncccc2Cl)C1)C1CC[NH+](C)CC1 ZINC000120032434 542577097 /nfs/dbraw/zinc/57/70/97/542577097.db2.gz NWJYYALQUBGYGN-UKRRQHHQSA-N 2 0 322.884 2.634 20 0 DFADRP CC[N@H+](Cc1ccc(C[NH+](C)C)cc1)[C@H](C)C(=O)N(C)C(C)C ZINC000626062300 399741668 /nfs/dbraw/zinc/74/16/68/399741668.db2.gz OFLUYWUKZSOKJB-MRXNPFEDSA-N 2 0 319.493 2.825 20 0 DFADRP C[N@@H+]1CCCN(CCC[NH2+][C@@H]2CCc3c2cc(F)cc3F)CC1 ZINC000121293797 542583614 /nfs/dbraw/zinc/58/36/14/542583614.db2.gz YIWHJVFKXGHARE-GOSISDBHSA-N 2 0 323.431 2.569 20 0 DFADRP C[C@@H]([NH2+][C@H]1CC[C@H](CO)CC1)c1ccc(OCC[NH+](C)C)cc1 ZINC000121340562 542584652 /nfs/dbraw/zinc/58/46/52/542584652.db2.gz MMHPGVMYPWWOBN-NUJGCVRESA-N 2 0 320.477 2.829 20 0 DFADRP C[C@@H]([NH2+][C@@H](C)C1CC[NH+](C)CC1)c1ccc2c(c1)OCCO2 ZINC000122017613 542588743 /nfs/dbraw/zinc/58/87/43/542588743.db2.gz CDKAEUWRSXBVLE-UONOGXRCSA-N 2 0 304.434 2.839 20 0 DFADRP C[C@H](C[NH+]1CCC(C[NH+]2CCOCC2)CC1)c1ccc(F)cc1 ZINC000275759097 130380228 /nfs/dbraw/zinc/38/02/28/130380228.db2.gz ULOWTJQUIPYCHG-MRXNPFEDSA-N 2 0 320.452 2.973 20 0 DFADRP CCC[C@H](C(=O)Nc1ccc(OCCC[NH+](C)C)cc1)[NH+](C)C ZINC000135220621 542651827 /nfs/dbraw/zinc/65/18/27/542651827.db2.gz VUOCKDVXABMBMD-QGZVFWFLSA-N 2 0 321.465 2.686 20 0 DFADRP COc1ccc(OCCC[NH2+][C@@H](C)C2CC[NH+](C)CC2)cc1 ZINC000152504162 542677507 /nfs/dbraw/zinc/67/75/07/542677507.db2.gz IEFHFMXVSUYEQK-HNNXBMFYSA-N 2 0 306.450 2.784 20 0 DFADRP Cc1cccc2c1CC[C@H]2[NH2+]CCCC[NH+]1CCN(C)CC1 ZINC000154351903 542688569 /nfs/dbraw/zinc/68/85/69/542688569.db2.gz NGBWTKYWLZVFLR-LJQANCHMSA-N 2 0 301.478 2.600 20 0 DFADRP C[C@H]([NH3+])[C@H]1CCCN(C(=O)CC[C@H]([NH3+])CC2CCCCC2)C1 ZINC000424076423 296483265 /nfs/dbraw/zinc/48/32/65/296483265.db2.gz LSUANITVFQNOKD-XIRDDKMYSA-N 2 0 309.498 2.650 20 0 DFADRP C[NH2+]C1(CNC(=O)c2cccc(C[NH+]3CCCCC3)c2)CCC1 ZINC000630002904 399788964 /nfs/dbraw/zinc/78/89/64/399788964.db2.gz NGHPBKLVXNFEDC-UHFFFAOYSA-N 2 0 315.461 2.544 20 0 DFADRP Cc1ccc(C[C@@H]([NH2+]CCCN2CC[NH+](C)CC2)C2CC2)cc1 ZINC000162596258 542738195 /nfs/dbraw/zinc/73/81/95/542738195.db2.gz BUEGMBVZPQJDHN-HXUWFJFHSA-N 2 0 315.505 2.543 20 0 DFADRP C[C@H](CCNC(=O)c1oc2ccccc2c1C[NH+](C)C)[NH+](C)C ZINC000617752139 399790074 /nfs/dbraw/zinc/79/00/74/399790074.db2.gz KIEHWJGNNVFQNL-CYBMUJFWSA-N 2 0 317.433 2.564 20 0 DFADRP C[C@H]([NH2+]C1(CNC(=O)[C@@H]2CCC[NH2+]2)CCCC1)c1ccccc1 ZINC000168664957 542754055 /nfs/dbraw/zinc/75/40/55/542754055.db2.gz FOCBZTIKJFMSDN-RDJZCZTQSA-N 2 0 315.461 2.518 20 0 DFADRP CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)c2ccc(C[NH3+])cc2)C1 ZINC000168642120 542754502 /nfs/dbraw/zinc/75/45/02/542754502.db2.gz XLUIWAIIMIGRHL-HNNXBMFYSA-N 2 0 317.477 2.776 20 0 DFADRP C[NH+](C)CCc1ccccc1NC(=O)NC1(C[NH3+])CCCCC1 ZINC000632938259 399800829 /nfs/dbraw/zinc/80/08/29/399800829.db2.gz SZMIZKNNAOYCAI-UHFFFAOYSA-N 2 0 318.465 2.574 20 0 DFADRP C[NH+](C)CC1(C[NH2+][C@H]2CCO[C@@H](C(F)(F)F)C2)CCCC1 ZINC000348383069 285519255 /nfs/dbraw/zinc/51/92/55/285519255.db2.gz INTJNBVTKLGXEX-QWHCGFSZSA-N 2 0 308.388 2.808 20 0 DFADRP CC[C@@H]1[C@@H](C(=O)N2CCC(CC)([NH+]3CCCC3)CC2)CC[N@@H+]1C ZINC000630080448 399807986 /nfs/dbraw/zinc/80/79/86/399807986.db2.gz XYZPHDAIVJDCKT-DLBZAZTESA-N 2 0 321.509 2.584 20 0 DFADRP [NH3+]C1CCC(C(=O)NC[C@@H](c2cccs2)[NH+]2CCCC2)CC1 ZINC000621488045 399813879 /nfs/dbraw/zinc/81/38/79/399813879.db2.gz SNWVXJJYGZJHEC-NRXISQOPSA-N 2 0 321.490 2.519 20 0 DFADRP CC(C)C[C@H]([NH3+])C(=O)NC[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000236695394 542896391 /nfs/dbraw/zinc/89/63/91/542896391.db2.gz FLEVQMCMKULAAS-ROUUACIJSA-N 2 0 317.477 2.531 20 0 DFADRP [NH3+]Cc1ccc(C(=O)NCC2([NH+]3CCCCC3)CCCCC2)o1 ZINC000237962731 542908926 /nfs/dbraw/zinc/90/89/26/542908926.db2.gz ZUCLBDDILBISPC-UHFFFAOYSA-N 2 0 319.449 2.657 20 0 DFADRP CC[NH+](CC)[C@H](CN[C@@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccco1 ZINC000252801780 542948237 /nfs/dbraw/zinc/94/82/37/542948237.db2.gz MQDGEYLZLXUSOH-IXDOHACOSA-N 2 0 305.466 2.879 20 0 DFADRP FC(F)(F)c1c[nH]c([C@H]2CCC[N@H+](C[C@H]3CCC[NH2+]C3)C2)n1 ZINC000261638423 542952742 /nfs/dbraw/zinc/95/27/42/542952742.db2.gz AAJXCUDCGFLBAH-RYUDHWBXSA-N 2 0 316.371 2.608 20 0 DFADRP CCN(C(=O)CC[NH+](C)C1CCCCC1)[C@@H]1CC[N@H+](CC)C1 ZINC000617925487 399834923 /nfs/dbraw/zinc/83/49/23/399834923.db2.gz MOTMQADZLFTKCM-QGZVFWFLSA-N 2 0 309.498 2.584 20 0 DFADRP CCN(C(=O)C[C@H](c1ccccc1)[NH+](C)C)[C@H]1CC[N@H+](CC)C1 ZINC000617924918 399835077 /nfs/dbraw/zinc/83/50/77/399835077.db2.gz BBVBETHKZGMTSO-ZWKOTPCHSA-N 2 0 317.477 2.622 20 0 DFADRP CC[N@H+](Cc1ccc(C(=O)N[C@H]2CCC[C@@H]([NH3+])C2)cc1)C(C)C ZINC000275593287 542975400 /nfs/dbraw/zinc/97/54/00/542975400.db2.gz FTVCGEAMQLNNQK-MSOLQXFVSA-N 2 0 317.477 2.917 20 0 DFADRP COc1cc2[nH+]ccc(N(C)[C@@H](C)C[NH3+])c2cc1Br ZINC000424417813 296508265 /nfs/dbraw/zinc/50/82/65/296508265.db2.gz XTERXBVGSJTFDW-VIFPVBQESA-N 2 0 324.222 2.789 20 0 DFADRP CCC[NH+](CCC)CCCC(=O)N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000449202651 297422158 /nfs/dbraw/zinc/42/21/58/297422158.db2.gz KKBIDTLBUUZOBZ-ZWKOTPCHSA-N 2 0 323.525 2.737 20 0 DFADRP C[C@H]([NH2+][C@@H]1CCN(Cc2ccccc2)[C@H]1C)C1CC[NH+](C)CC1 ZINC000309905962 543066865 /nfs/dbraw/zinc/06/68/65/543066865.db2.gz QKJMWQNEEPHRMA-ABSDTBQOSA-N 2 0 315.505 2.969 20 0 DFADRP C[C@@H]([NH2+]CCCn1cnc2ccccc21)C1CC[NH+](C)CC1 ZINC000314171064 543068355 /nfs/dbraw/zinc/06/83/55/543068355.db2.gz BVXCMQKAOBFONT-OAHLLOKOSA-N 2 0 300.450 2.746 20 0 DFADRP CC[C@H]([NH2+]CC(C)(C)N1CC[NH+](C)CC1)c1cccc(F)c1 ZINC000319131772 543078440 /nfs/dbraw/zinc/07/84/40/543078440.db2.gz BKDKMELHAYBBAF-KRWDZBQOSA-N 2 0 307.457 2.892 20 0 DFADRP C[NH+]1CCN(C(C)(C)C[NH2+][C@H](c2ccc(F)cc2)C2CC2)CC1 ZINC000319829853 543080376 /nfs/dbraw/zinc/08/03/76/543080376.db2.gz KWCJSWFRDXIWPZ-SFHVURJKSA-N 2 0 319.468 2.892 20 0 DFADRP O=C(CC[C@@H]1CCC[NH2+]1)Nc1ccc(C[NH+]2CCCC2)cc1 ZINC000320512704 543082376 /nfs/dbraw/zinc/08/23/76/543082376.db2.gz QGTPRPIZQLUBRJ-INIZCTEOSA-N 2 0 301.434 2.753 20 0 DFADRP CCN(CCCN1CCC[C@@H]([NH2+]C(C)C)C1)CC(F)(F)F ZINC000681210225 545611563 /nfs/dbraw/zinc/61/15/63/545611563.db2.gz JSFYSTOPZCOWRU-CQSZACIVSA-N 2 0 309.420 2.723 20 0 DFADRP CC(C)C[C@@H](NC(=O)CN1CC[C@@](C)(C[NH3+])C1)c1ccccc1 ZINC000337774690 543131965 /nfs/dbraw/zinc/13/19/65/543131965.db2.gz WXCNSHQDFCNMLA-MJGOQNOKSA-N 2 0 317.477 2.561 20 0 DFADRP C[C@@H]1C[C@@H](CC[NH2+]Cc2cncnc2)C[N@@H+]1Cc1ccccc1 ZINC000338195241 543135146 /nfs/dbraw/zinc/13/51/46/543135146.db2.gz MFKCAAFZUMESKZ-SJLPKXTDSA-N 2 0 310.445 2.867 20 0 DFADRP C[NH+](C)Cc1cc(CN[C@@H]2CC[N@@H+]3CCC[C@H]3C2)ccc1F ZINC000339067238 543140477 /nfs/dbraw/zinc/14/04/77/543140477.db2.gz FNXASUJODUITMB-SJORKVTESA-N 2 0 305.441 2.604 20 0 DFADRP C[NH+](C)Cc1cc(CN[C@H]2CC[N@@H+]3CCC[C@H]3C2)ccc1F ZINC000339067236 543140596 /nfs/dbraw/zinc/14/05/96/543140596.db2.gz FNXASUJODUITMB-IRXDYDNUSA-N 2 0 305.441 2.604 20 0 DFADRP CC[N@@H+]1CC[C@@H](N(C)CC(=O)N[C@H](C)c2ccccc2)C[C@@H]1C ZINC000625215018 399862000 /nfs/dbraw/zinc/86/20/00/399862000.db2.gz YHFZEUNBGWPRGE-LZLYRXPVSA-N 2 0 317.477 2.668 20 0 DFADRP C[NH+](C)CCCOc1cnccc1C[NH2+][C@@H]1CC[C@H]1C1CC1 ZINC000343993149 543169828 /nfs/dbraw/zinc/16/98/28/543169828.db2.gz ROIVPGZAQWLEFA-DLBZAZTESA-N 2 0 303.450 2.690 20 0 DFADRP c1ccc(C[NH+]2CCN(CC[NH2+][C@H]3CC[C@H]3C3CC3)CC2)cc1 ZINC000348091883 543182789 /nfs/dbraw/zinc/18/27/89/543182789.db2.gz YYIOZWMDHBVVOD-PMACEKPBSA-N 2 0 313.489 2.582 20 0 DFADRP OC1CC[NH+](Cc2ccc(C[NH2+][C@@H]3CC[C@H]3C3CC3)cc2)CC1 ZINC000348128952 543183660 /nfs/dbraw/zinc/18/36/60/543183660.db2.gz WRFBOBPNQDYJHR-VQTJNVASSA-N 2 0 314.473 2.922 20 0 DFADRP OC1CC[NH+](Cc2ccc(C[NH2+][C@@H]3CC[C@@H]3C3CC3)cc2)CC1 ZINC000348128953 543183978 /nfs/dbraw/zinc/18/39/78/543183978.db2.gz WRFBOBPNQDYJHR-WOJBJXKFSA-N 2 0 314.473 2.922 20 0 DFADRP OC[C@@H]1CCC[N@@H+]1Cc1ccccc1C[NH2+][C@@H]1CC[C@@H]1C1CC1 ZINC000348386954 543185464 /nfs/dbraw/zinc/18/54/64/543185464.db2.gz XSDSOVRKKQPZPV-XUVXKRRUSA-N 2 0 314.473 2.922 20 0 DFADRP CC(C)[C@H]1CC[C@@H]1[NH2+]Cc1ccc(C(=O)NCC[NH+](C)C)cc1 ZINC000353628854 543237176 /nfs/dbraw/zinc/23/71/76/543237176.db2.gz CNBYNPOHANALIR-MSOLQXFVSA-N 2 0 317.477 2.502 20 0 DFADRP C[N@@H+]1CC[C@H]([NH2+]C[C@](C)(CO)Cc2ccccc2)[C@@H]2CCC[C@H]21 ZINC000353681116 543237795 /nfs/dbraw/zinc/23/77/95/543237795.db2.gz ADVFDIHXRAXFLE-VNTMZGSJSA-N 2 0 316.489 2.690 20 0 DFADRP COC(=O)C(C)(C)CC[NH2+]CCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000353928027 146833158 /nfs/dbraw/zinc/83/31/58/146833158.db2.gz LBFJMAYLHUPXBV-IYBDPMFKSA-N 2 0 312.498 2.923 20 0 DFADRP CCC[NH+]1CCC([NH2+]C[C@](C)(CO)Cc2ccccc2)CC1 ZINC000357781509 543263756 /nfs/dbraw/zinc/26/37/56/543263756.db2.gz ARNUEWMHQYUPBN-LJQANCHMSA-N 2 0 304.478 2.692 20 0 DFADRP CC(C)[N@@H+]1CCC[C@@H](CNC(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC000358613873 543268397 /nfs/dbraw/zinc/26/83/97/543268397.db2.gz HGAJYTRBZRFHTF-KRWDZBQOSA-N 2 0 323.525 2.735 20 0 DFADRP O[C@@H]1CCCC[C@H]1[NH2+]CC1CC[NH+](Cc2ccccc2)CC1 ZINC000397496479 543310726 /nfs/dbraw/zinc/31/07/26/543310726.db2.gz AUIACALUGLQYLT-RTBURBONSA-N 2 0 302.462 2.792 20 0 DFADRP [NH3+][C@@H]1CCC[C@H]([NH2+]CC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000397640632 543310888 /nfs/dbraw/zinc/31/08/88/543310888.db2.gz SAOLKSULRRYAMI-MOPGFXCFSA-N 3 0 301.478 2.758 20 0 DFADRP OC1(C[NH2+]C(C2CC2)C2CC2)CC[NH+](Cc2ccccc2)CC1 ZINC000397503729 543311002 /nfs/dbraw/zinc/31/10/02/543311002.db2.gz GZQWASLKVFVRPJ-UHFFFAOYSA-N 2 0 314.473 2.792 20 0 DFADRP [NH3+]CCCCCCC(=O)N[C@H]1CCC[N@@H+](C2CCCCC2)C1 ZINC000168525336 145244602 /nfs/dbraw/zinc/24/46/02/145244602.db2.gz VWURPACSOHMDHW-INIZCTEOSA-N 2 0 309.498 2.809 20 0 DFADRP CCc1ccc(C[N@H+](C)CC2CC[NH+](C[C@H](C)O)CC2)cc1 ZINC000172247730 145297210 /nfs/dbraw/zinc/29/72/10/145297210.db2.gz BIKUXFKUBMFNJH-INIZCTEOSA-N 2 0 304.478 2.774 20 0 DFADRP Cc1nn(-c2ccc(F)cc2)c(C)c1C[NH2+][C@@H]1CCC[C@@H]([NH3+])C1 ZINC000414921044 543327818 /nfs/dbraw/zinc/32/78/18/543327818.db2.gz DZPVGVDMSAOORV-HZPDHXFCSA-N 2 0 316.424 2.988 20 0 DFADRP CC(C)C[C@@H](C)N(C)C(=O)CN1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000173604978 145348786 /nfs/dbraw/zinc/34/87/86/145348786.db2.gz IJIMRCGFIYQRKS-QZTJIDSGSA-N 2 0 323.525 2.687 20 0 DFADRP C[C@@H]1C[N@@H+](Cc2ccccc2C[NH2+]C2CCOCC2)C[C@H](C)O1 ZINC000174293733 145375053 /nfs/dbraw/zinc/37/50/53/145375053.db2.gz NDDKMROIIPWUDS-IYBDPMFKSA-N 2 0 318.461 2.564 20 0 DFADRP CC[C@@H](C(=O)Nc1ccc(C[NH+](C)C)cc1OC)[NH+](CC)CC ZINC000633373378 399893996 /nfs/dbraw/zinc/89/39/96/399893996.db2.gz JLASCTZXIUQBMJ-INIZCTEOSA-N 2 0 321.465 2.816 20 0 DFADRP [NH3+]C[C@@H]1CC[C@H](Nc2nccc(N3Cc4ccccc4C3)n2)C1 ZINC000630513692 399897042 /nfs/dbraw/zinc/89/70/42/399897042.db2.gz FSAADFMQEKHLOJ-CJNGLKHVSA-N 2 0 309.417 2.536 20 0 DFADRP Cc1sccc1CNc1cc(N2CC[NH+](C)CC2)cc[nH+]1 ZINC000630961024 399954007 /nfs/dbraw/zinc/95/40/07/399954007.db2.gz LVCLRZUPQFQFLJ-UHFFFAOYSA-N 2 0 302.447 2.815 20 0 DFADRP C[C@H](C(=O)N1CCC(C)([NH+]2CCCC2)CC1)[NH+]1[C@H](C)CC[C@H]1C ZINC000633943133 399963195 /nfs/dbraw/zinc/96/31/95/399963195.db2.gz CPHZAKVURRZEAO-BRWVUGGUSA-N 2 0 321.509 2.725 20 0 DFADRP CC[C@@H](C(=O)N1CCC(CC)([NH+]2CCCC2)CC1)[NH+](CC)CC ZINC000633954111 399964961 /nfs/dbraw/zinc/96/49/61/399964961.db2.gz WCJIOZUHIAQJIE-KRWDZBQOSA-N 2 0 323.525 2.974 20 0 DFADRP CCC1([NH+](C)C)CCN(C(=O)[C@@H](C)[NH+]2CCCCCC2)CC1 ZINC000634122291 399985263 /nfs/dbraw/zinc/98/52/63/399985263.db2.gz VKMRSQUOOVYMGA-MRXNPFEDSA-N 2 0 309.498 2.584 20 0 DFADRP CCC1([NH+](C)C)CCN(C(=O)c2sccc2C[NH+](C)C)CC1 ZINC000634122518 399985562 /nfs/dbraw/zinc/98/55/62/399985562.db2.gz IFYCAFARZCWAFK-UHFFFAOYSA-N 2 0 323.506 2.756 20 0 DFADRP C[N@@H+]1CCC[C@@H](CC[NH2+]Cc2ccncc2Br)C1 ZINC000631157664 399992203 /nfs/dbraw/zinc/99/22/03/399992203.db2.gz DNHIHJRLDSAUMC-LBPRGKRZSA-N 2 0 312.255 2.666 20 0 DFADRP Cc1ccc([C@H](C)C[N@@H+]2CC[C@H](CN3CCOCC3)C2)cc1 ZINC000628184019 399997639 /nfs/dbraw/zinc/99/76/39/399997639.db2.gz XFCCYSABRHLENT-QZTJIDSGSA-N 2 0 302.462 2.753 20 0 DFADRP CC[NH+]1CCN([C@@H](C)C[NH2+]C[C@@H](C)c2ccc(C)cc2)CC1 ZINC000628202418 400000514 /nfs/dbraw/zinc/00/05/14/400000514.db2.gz SXRQJWXJXKNXSC-MSOLQXFVSA-N 2 0 303.494 2.714 20 0 DFADRP Cc1ccc([C@@H](C)C[NH2+]C[C@H](C)CN2CC[NH+](C)CC2)cc1 ZINC000628213393 400002331 /nfs/dbraw/zinc/00/23/31/400002331.db2.gz JDPJLIRMEHKGDN-ROUUACIJSA-N 2 0 303.494 2.572 20 0 DFADRP Cc1ccc([C@@H](C)C[NH2+]CC2CC[NH+](CCN(C)C)CC2)cc1 ZINC000628214425 400002830 /nfs/dbraw/zinc/00/28/30/400002830.db2.gz WZXYAONOLQXKJY-SFHVURJKSA-N 2 0 317.521 2.962 20 0 DFADRP C[C@@H]1C[NH+](CCCC[NH2+]Cc2cnc(C3CC3)o2)C[C@@H](C)O1 ZINC000628218305 400003427 /nfs/dbraw/zinc/00/34/27/400003427.db2.gz ARLUJFGZCHXRDY-ZIAGYGMSSA-N 2 0 307.438 2.531 20 0 DFADRP C[NH+](C)CCN(CC[NH+](C)C)Cc1csc(C(F)(F)F)c1 ZINC000628278832 400012594 /nfs/dbraw/zinc/01/25/94/400012594.db2.gz JKTCLDITMPLGOA-UHFFFAOYSA-N 2 0 323.428 2.692 20 0 DFADRP C[N@@H+]1CCCC[C@H](C[NH2+]CCCc2ccc3c(c2)CCO3)C1 ZINC000628425431 400031517 /nfs/dbraw/zinc/03/15/17/400031517.db2.gz KNZCVRLGJPVLEY-QGZVFWFLSA-N 2 0 302.462 2.876 20 0 DFADRP C[N@@H+]1CCCC[C@H](CNC(=O)[C@@H]2CCCC[NH+]2C2CCCC2)C1 ZINC000628748934 400052479 /nfs/dbraw/zinc/05/24/79/400052479.db2.gz ZKMMGIYIEGNUOA-AEFFLSMTSA-N 2 0 321.509 2.632 20 0 DFADRP C(C1CC1)[NH+]1CCC([NH2+][C@@H]2[C@@H]3CCO[C@@H]3C23CCCC3)CC1 ZINC000631570654 400052846 /nfs/dbraw/zinc/05/28/46/400052846.db2.gz WILLOYKYQCILSX-KSZLIROESA-N 2 0 304.478 2.798 20 0 DFADRP Cc1ccc(NC(=O)C[NH2+][C@@H](C)C2CC[NH+](C)CC2)c(Cl)c1 ZINC000631647840 400061608 /nfs/dbraw/zinc/06/16/08/400061608.db2.gz IYVBAJFEJCCCJD-ZDUSSCGKSA-N 2 0 323.868 2.907 20 0 DFADRP Cc1ccc(NC(=O)C[NH2+][C@H](C)C2CC[NH+](C)CC2)c(Cl)c1 ZINC000631647837 400061669 /nfs/dbraw/zinc/06/16/69/400061669.db2.gz IYVBAJFEJCCCJD-CYBMUJFWSA-N 2 0 323.868 2.907 20 0 DFADRP C[C@H](Cc1cnccn1)[NH2+]C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000631661717 400063421 /nfs/dbraw/zinc/06/34/21/400063421.db2.gz BWGPIIKVZWELRF-LMMKCTJWSA-N 2 0 324.472 2.765 20 0 DFADRP C[C@H](CCCCO)[NH2+]C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000631664310 400063942 /nfs/dbraw/zinc/06/39/42/400063942.db2.gz NPSKFOOJONCONB-LMMKCTJWSA-N 2 0 304.478 2.895 20 0 DFADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C[NH2+][C@H]1CCCOCC1 ZINC000631665765 400064145 /nfs/dbraw/zinc/06/41/45/400064145.db2.gz XQTMSZSQPQTOHT-NEWSRXKRSA-N 2 0 302.462 2.913 20 0 DFADRP CC[NH+]1CCC(NC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)CC1 ZINC000631667164 400064436 /nfs/dbraw/zinc/06/44/36/400064436.db2.gz LQBNNVGIFBKRPB-MJGOQNOKSA-N 2 0 315.505 2.828 20 0 DFADRP C[C@@H]([NH2+][C@H](C)C1CC[NH+](C)CC1)c1ccc2[nH]c(=O)oc2c1 ZINC000631736715 400071247 /nfs/dbraw/zinc/07/12/47/400071247.db2.gz UZAUHAKIOLLUQQ-VXGBXAGGSA-N 2 0 303.406 2.914 20 0 DFADRP COc1cccc(-c2nc(C[NH+]3CCC([C@H](C)[NH3+])CC3)co2)c1 ZINC000631821315 400077573 /nfs/dbraw/zinc/07/75/73/400077573.db2.gz VGCAVIYJTFKANW-ZDUSSCGKSA-N 2 0 315.417 2.909 20 0 DFADRP [NH3+]C[C@@H]1C[N@H+](C[C@@H]2CCC(F)(F)C2)CC[C@H]1C(F)(F)F ZINC000631830109 400078245 /nfs/dbraw/zinc/07/82/45/400078245.db2.gz KDOMFJATXNUPGQ-GMTAPVOTSA-N 2 0 300.315 2.881 20 0 DFADRP C[C@@H]1C[N@H+](Cc2ccc(OCC(F)(F)F)cc2)C[C@H]1C[NH3+] ZINC000631840041 400078869 /nfs/dbraw/zinc/07/88/69/400078869.db2.gz OVDPKKSGQUZIOI-DGCLKSJQSA-N 2 0 302.340 2.654 20 0 DFADRP C[C@@H]1C[N@H+](Cc2cccc(OCC(F)(F)F)c2)C[C@@H]1C[NH3+] ZINC000631839827 400078878 /nfs/dbraw/zinc/07/88/78/400078878.db2.gz LKCSOFUDYNYBNN-YPMHNXCESA-N 2 0 302.340 2.654 20 0 DFADRP CCC[C@H](C)NC(=O)[C@H]1CCC[N@H+](CCC[NH+](CC)CC)C1 ZINC000191466595 145892477 /nfs/dbraw/zinc/89/24/77/145892477.db2.gz QFEJUXUCNTYKHK-IRXDYDNUSA-N 2 0 311.514 2.735 20 0 DFADRP C[C@H]([NH2+]CCOCC[NH+](C)C)C1CCC(C(F)(F)F)CC1 ZINC000433085886 543348272 /nfs/dbraw/zinc/34/82/72/543348272.db2.gz YDIMNAWCMFXDNV-HSBZDZAISA-N 2 0 310.404 2.911 20 0 DFADRP CCN1CCC[C@H]1C[NH2+][C@@H]1CCCN(Cc2ccccc2)C1 ZINC000236843192 146029770 /nfs/dbraw/zinc/02/97/70/146029770.db2.gz ZYDFULZZRHEYEX-MOPGFXCFSA-N 2 0 301.478 2.725 20 0 DFADRP CCCC[C@H]([NH3+])C(=O)N[C@H]1CCN(C)[C@@H]1c1ccc(Cl)cc1 ZINC000236842230 146030075 /nfs/dbraw/zinc/03/00/75/146030075.db2.gz GZWJBWKTOMLKCS-HRCADAONSA-N 2 0 323.868 2.719 20 0 DFADRP C[C@@H]1C[C@@H](N(C)C(=O)CC(C)(C)[NH3+])CC[N@@H+]1Cc1ccccc1 ZINC000237465671 146044436 /nfs/dbraw/zinc/04/44/36/146044436.db2.gz MSJCBFGLZRXRNE-WBVHZDCISA-N 2 0 317.477 2.625 20 0 DFADRP CC[NH+](CC)CCOCC[NH2+]C1CCC2(CCOCC2)CC1 ZINC000349690431 285915792 /nfs/dbraw/zinc/91/57/92/285915792.db2.gz GHLCNCCNQLECEM-UHFFFAOYSA-N 2 0 312.498 2.674 20 0 DFADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@H](C)Oc2cccc(OC)c2)[C@@H](C)C1 ZINC000247104362 146161389 /nfs/dbraw/zinc/16/13/89/146161389.db2.gz OUZXXSNKXXTTBD-MPGHIAIKSA-N 2 0 306.450 2.782 20 0 DFADRP COc1ccc(CCC[NH2+][C@@H]2C[C@@H](C)[N@H+](C)C[C@@H]2C)cc1OC ZINC000247146964 146163443 /nfs/dbraw/zinc/16/34/43/146163443.db2.gz SQUOATIARKSAQX-ZMSDIMECSA-N 2 0 320.477 2.955 20 0 DFADRP C[C@H](c1ccc(F)cc1)[N@@H+](C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000247374229 146167857 /nfs/dbraw/zinc/16/78/57/146167857.db2.gz VAYDGHIINLCEJS-LSDHHAIUSA-N 2 0 308.441 2.911 20 0 DFADRP OCC1([NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)CCC1 ZINC000248997928 146181666 /nfs/dbraw/zinc/18/16/66/146181666.db2.gz PQVAMKDVJSBICS-BCDXTJNWSA-N 2 0 300.446 2.687 20 0 DFADRP C[C@@H](CCC1CC1)[NH2+]Cc1ccccc1C[N@@H+]1CC[C@@H](O)C1 ZINC000249003960 146182545 /nfs/dbraw/zinc/18/25/45/146182545.db2.gz NNLAYFFXDGKXME-HNAYVOBHSA-N 2 0 302.462 2.922 20 0 DFADRP C[C@H](O)[C@@](C)(C[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1)Cc1ccccc1 ZINC000249615393 146202346 /nfs/dbraw/zinc/20/23/46/146202346.db2.gz OXGFUDFMGQIQAQ-UKBAYJJMSA-N 2 0 304.478 2.689 20 0 DFADRP C[C@H](C(=O)NCC(C)(C)[NH+]1CCCCC1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000249764200 146205438 /nfs/dbraw/zinc/20/54/38/146205438.db2.gz YGZBOKXTWWVPAX-OWCLPIDISA-N 2 0 309.498 2.628 20 0 DFADRP OCCC1(C[NH2+][C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]23)CC1 ZINC000250095561 146209676 /nfs/dbraw/zinc/20/96/76/146209676.db2.gz QSOUVRMGXCVXPX-GUDVDZBRSA-N 2 0 314.473 2.649 20 0 DFADRP C[C@@H]1C[C@H](N[C@@H]2CC[NH+](C)[C@H](C)C2)C[N@@H+]1Cc1ccccc1 ZINC000252695960 146222915 /nfs/dbraw/zinc/22/29/15/146222915.db2.gz AZPRWTRAZHBWOO-RWQQGDIJSA-N 2 0 301.478 2.722 20 0 DFADRP C[N@H+](CCc1ccc(Br)cc1)C[C@H]1CCC[NH2+]C1 ZINC000258891447 146236706 /nfs/dbraw/zinc/23/67/06/146236706.db2.gz CQFCVDMOORJGEG-AWEZNQCLSA-N 2 0 311.267 2.923 20 0 DFADRP C[C@@H]([NH2+]C1CCC([NH3+])CC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000261539714 146237610 /nfs/dbraw/zinc/23/76/10/146237610.db2.gz DBBOAPHHHQZRQC-BJMVHTGZSA-N 3 0 301.478 2.757 20 0 DFADRP C[C@H](N[C@@H]1CCC[C@H]([NH3+])C1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000261532487 146238028 /nfs/dbraw/zinc/23/80/28/146238028.db2.gz AJILRXROTUFREI-DSLXNQLJSA-N 2 0 301.478 2.757 20 0 DFADRP CCn1ccnc1C[N@H+](C[C@@H]1C[C@H]1C)[C@@H]1CC12CC[NH2+]CC2 ZINC000261644291 146252131 /nfs/dbraw/zinc/25/21/31/146252131.db2.gz AMEADSGZZBMYPO-OWCLPIDISA-N 2 0 302.466 2.503 20 0 DFADRP Cc1ccc([C@H]([NH3+])C(=O)NC[C@@]2([NH+](C)C)CCC[C@@H](C)C2)cc1 ZINC000261649095 146254134 /nfs/dbraw/zinc/25/41/34/146254134.db2.gz FOOARTVUKPFHSC-HHXXYDBFSA-N 2 0 317.477 2.622 20 0 DFADRP c1ccc(-c2nc(CN3CCC([C@H]4CCC[NH2+]4)CC3)no2)cc1 ZINC000261674114 146258277 /nfs/dbraw/zinc/25/82/77/146258277.db2.gz HKRTWWZFZAAWTG-MRXNPFEDSA-N 2 0 312.417 2.701 20 0 DFADRP C[C@@]1(C[N@@H+](Cc2ccccc2)CC2CCOCC2)CC[NH2+]C1 ZINC000261684017 146259557 /nfs/dbraw/zinc/25/95/57/146259557.db2.gz ANGVLLPQDNYDPC-LJQANCHMSA-N 2 0 302.462 2.915 20 0 DFADRP Cc1oc(-c2cccs2)nc1CN1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000261694543 146261009 /nfs/dbraw/zinc/26/10/09/146261009.db2.gz NOKSLLPBSHIWSL-XQQFMLRXSA-N 2 0 303.431 2.881 20 0 DFADRP C[C@@H]([NH3+])CC(=O)NCC1([NH2+][C@H](C)c2ccccc2)CCCC1 ZINC000261713551 146263939 /nfs/dbraw/zinc/26/39/39/146263939.db2.gz DPYDISLEBVBRFS-HUUCEWRRSA-N 2 0 303.450 2.504 20 0 DFADRP Cc1c(Cl)cccc1NC(=O)[C@H](C)N1CC[C@@](C)(C[NH3+])C1 ZINC000261719816 146265336 /nfs/dbraw/zinc/26/53/36/146265336.db2.gz NHDDDJYRSMEGSO-LRDDRELGSA-N 2 0 309.841 2.646 20 0 DFADRP C[NH2+]CCC1CC[NH+](Cc2cc(OC)c(OC)cc2OC)CC1 ZINC000261735695 146267481 /nfs/dbraw/zinc/26/74/81/146267481.db2.gz NFWDHULQZSBQKQ-UHFFFAOYSA-N 2 0 322.449 2.534 20 0 DFADRP [NH3+][C@H]1CCCCCC[C@@H]1C(=O)Nc1ccc2c(c1F)CC[NH2+]C2 ZINC000261738285 146268186 /nfs/dbraw/zinc/26/81/86/146268186.db2.gz NQSAUFXYDKTMIZ-GJZGRUSLSA-N 2 0 319.424 2.708 20 0 DFADRP c1cn(-c2ccc(C[NH+]3CCC([C@H]4CCC[NH2+]4)CC3)cc2)cn1 ZINC000261752589 146270429 /nfs/dbraw/zinc/27/04/29/146270429.db2.gz PDOHTAYRAGJQBY-LJQANCHMSA-N 2 0 310.445 2.836 20 0 DFADRP c1cc2c(cc1CC[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1)OCCO2 ZINC000261752561 146270669 /nfs/dbraw/zinc/27/06/69/146270669.db2.gz PCPXVPFBINSVQU-ZACQAIPSSA-N 2 0 316.445 2.511 20 0 DFADRP C[C@@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]C1CCN(c2ccccn2)CC1 ZINC000261762159 146272169 /nfs/dbraw/zinc/27/21/69/146272169.db2.gz PYSXJHMAAWRXNF-WMZOPIPTSA-N 2 0 316.493 2.951 20 0 DFADRP COc1ccc(CC2CC[NH+](C[C@@]3(C)CC[NH2+]C3)CC2)cc1 ZINC000261776840 146274846 /nfs/dbraw/zinc/27/48/46/146274846.db2.gz NNXLJBYOTNEYDP-IBGZPJMESA-N 2 0 302.462 2.949 20 0 DFADRP CCCOc1ccc(OCC[N@@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)cc1 ZINC000261816882 146281808 /nfs/dbraw/zinc/28/18/08/146281808.db2.gz GZBZZOFBMVFKEQ-KFKAGJAMSA-N 2 0 318.461 2.913 20 0 DFADRP C[C@@]1(C[NH3+])CC[N@H+](CCOc2ccc(C(F)(F)F)cc2)C1 ZINC000261813783 146282113 /nfs/dbraw/zinc/28/21/13/146282113.db2.gz PAZREYWIPSTHFI-AWEZNQCLSA-N 2 0 302.340 2.755 20 0 DFADRP CC[NH+](CC)CCN(CC(C)C)C(=O)C[C@H]([NH3+])c1ccccc1 ZINC000261820232 146282604 /nfs/dbraw/zinc/28/26/04/146282604.db2.gz WMKZSHKMACZLQE-SFHVURJKSA-N 2 0 319.493 2.903 20 0 DFADRP C[NH2+]CCC1CC[NH+](Cc2c(OC)cc(OC)cc2OC)CC1 ZINC000261844444 146287924 /nfs/dbraw/zinc/28/79/24/146287924.db2.gz ZDWLOSKIRQZTNN-UHFFFAOYSA-N 2 0 322.449 2.534 20 0 DFADRP O=C(NC[C@@H]1CCC[N@H+](CC2CCCCCC2)C1)[C@H]1CCC[NH2+]1 ZINC000261890028 146296231 /nfs/dbraw/zinc/29/62/31/146296231.db2.gz NQKSPOBBWQZVST-ZWKOTPCHSA-N 2 0 321.509 2.537 20 0 DFADRP CC[C@H]1CN(C[C@]2(C)CC[NH2+]C2)CC[N@@H+]1Cc1ccccc1 ZINC000261892527 146296594 /nfs/dbraw/zinc/29/65/94/146296594.db2.gz UEJLUGIUWXMUPT-RBUKOAKNSA-N 2 0 301.478 2.582 20 0 DFADRP C[C@]1(CN2CCC(C(=O)c3ccc(F)cc3)CC2)CC[NH2+]C1 ZINC000261900377 146297747 /nfs/dbraw/zinc/29/77/47/146297747.db2.gz VWTOIXKRGKFHDJ-SFHVURJKSA-N 2 0 304.409 2.720 20 0 DFADRP C[C@]1(CN2CCC(C(=O)c3cc(F)ccc3F)CC2)CC[NH2+]C1 ZINC000261906068 146299237 /nfs/dbraw/zinc/29/92/37/146299237.db2.gz XABVLCDKTNTJOH-SFHVURJKSA-N 2 0 322.399 2.859 20 0 DFADRP FC(F)(F)c1ccn([C@H]2CCC[N@H+](CC3CC[NH2+]CC3)C2)n1 ZINC000261950732 146308997 /nfs/dbraw/zinc/30/89/97/146308997.db2.gz NVRXZJKRWOZJSY-ZDUSSCGKSA-N 2 0 316.371 2.538 20 0 DFADRP C[NH2+]CCC1CC[NH+]([C@@H](C)C(=O)Nc2ccc(C)c(C)c2)CC1 ZINC000261976885 146313595 /nfs/dbraw/zinc/31/35/95/146313595.db2.gz GHTTXMWQLDVDSI-INIZCTEOSA-N 2 0 317.477 2.952 20 0 DFADRP C[NH2+]CCC1CC[NH+]([C@H](C)C(=O)N[C@@H]2CCC[C@H](C)[C@H]2C)CC1 ZINC000261979099 146313765 /nfs/dbraw/zinc/31/37/65/146313765.db2.gz HELZRRMLPJVLTR-BVIKNXMNSA-N 2 0 323.525 2.637 20 0 DFADRP C[C@@H]([NH3+])C1CC[NH+](Cc2cnn(Cc3ccc(F)cc3)c2)CC1 ZINC000261989882 146316731 /nfs/dbraw/zinc/31/67/31/146316731.db2.gz SFNRELSWPWKZFX-CQSZACIVSA-N 2 0 316.424 2.630 20 0 DFADRP C[NH2+]CCC1CC[NH+]([C@@H](C)C(=O)Nc2ccc(Cl)cc2)CC1 ZINC000262000367 146320962 /nfs/dbraw/zinc/32/09/62/146320962.db2.gz PHUSVLKAQLLWIV-ZDUSSCGKSA-N 2 0 323.868 2.989 20 0 DFADRP COc1ccc(C[NH+]2CCC([C@@H]3CCC[NH2+]3)CC2)c(OC)c1 ZINC000262033275 146324673 /nfs/dbraw/zinc/32/46/73/146324673.db2.gz ZDSDLGOSHKWIQD-KRWDZBQOSA-N 2 0 304.434 2.668 20 0 DFADRP CC(C)c1ccc(NC(=O)C[N@@H+]2CCC[C@@H](CC[NH3+])C2)cc1 ZINC000262031548 146325133 /nfs/dbraw/zinc/32/51/33/146325133.db2.gz YWOZLIYMGUVDKQ-HNNXBMFYSA-N 2 0 303.450 2.809 20 0 DFADRP C[C@@H]([NH3+])[C@H]1CCCCN1Cc1ccc(-c2cnn(C)c2)s1 ZINC000262039823 146325850 /nfs/dbraw/zinc/32/58/50/146325850.db2.gz PARAATJXARVQFW-IUODEOHRSA-N 2 0 304.463 2.850 20 0 DFADRP C[N@H+](Cc1ccc(OC[C@@H]2CCCO2)cc1)[C@H]1CCC[NH2+]CC1 ZINC000262073026 146331280 /nfs/dbraw/zinc/33/12/80/146331280.db2.gz CUNPOXCDTVVTIU-HKUYNNGSSA-N 2 0 318.461 2.818 20 0 DFADRP [NH3+][C@@H]1CCC[C@H]2C[N@H+](CCC(=O)Nc3ccccc3Cl)C[C@@H]21 ZINC000262099668 146332926 /nfs/dbraw/zinc/33/29/26/146332926.db2.gz ISSDVUPJBCMQMZ-KCQAQPDRSA-N 2 0 321.852 2.728 20 0 DFADRP CCC[C@](C)([NH3+])C(=O)N1CCC[N@H+](CC2CCCCC2)CC1 ZINC000262095161 146333613 /nfs/dbraw/zinc/33/36/13/146333613.db2.gz BHCGPSPJMLXYTM-SFHVURJKSA-N 2 0 309.498 2.619 20 0 DFADRP [NH3+]CC[C@H]1CCC[N@H+](CCOc2ccc(F)cc2Cl)C1 ZINC000262145374 146339200 /nfs/dbraw/zinc/33/92/00/146339200.db2.gz QJNNWBKAWVZFQM-GFCCVEGCSA-N 2 0 300.805 2.919 20 0 DFADRP [NH3+]CC[C@@H]1CCC[N@H+](Cc2ccc(OC[C@H]3CCCO3)cc2)C1 ZINC000262170093 146339859 /nfs/dbraw/zinc/33/98/59/146339859.db2.gz VAFNBIWCDCLYRQ-QFBILLFUSA-N 2 0 318.461 2.805 20 0 DFADRP C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)C1C[C@H]2CCC[C@@H](C1)C2[NH3+] ZINC000262353519 146353420 /nfs/dbraw/zinc/35/34/20/146353420.db2.gz UUMISOUNDKPJEJ-OLQSNFDLSA-N 2 0 321.509 2.519 20 0 DFADRP CCCOc1ccc(OCC[N@@H+]2CC[C@@H](C)[C@@H](C[NH3+])C2)cc1 ZINC000262449748 146361073 /nfs/dbraw/zinc/36/10/73/146361073.db2.gz HPIWRVWBGZTBFI-CVEARBPZSA-N 2 0 306.450 2.771 20 0 DFADRP CCCOc1ccc(OCC[N@@H+]2CC[C@@H](C)[C@H](C[NH3+])C2)cc1 ZINC000262449750 146361611 /nfs/dbraw/zinc/36/16/11/146361611.db2.gz HPIWRVWBGZTBFI-HZPDHXFCSA-N 2 0 306.450 2.771 20 0 DFADRP CC[NH+](CC)[C@@H](CNC(=O)[C@H]([NH3+])c1ccc(C)cc1)CC(C)C ZINC000262667921 146380788 /nfs/dbraw/zinc/38/07/88/146380788.db2.gz QFTRAXGWOCWKBH-QZTJIDSGSA-N 2 0 319.493 2.868 20 0 DFADRP Cc1ccc([C@@H]([NH3+])C(=O)NC[C@H](C2CCCCC2)[NH+](C)C)cc1 ZINC000262681678 146381605 /nfs/dbraw/zinc/38/16/05/146381605.db2.gz WFKWHBRPVOKQOA-QZTJIDSGSA-N 2 0 317.477 2.622 20 0 DFADRP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC000354409424 147027217 /nfs/dbraw/zinc/02/72/17/147027217.db2.gz SLFLIVVDYIUAQE-QZTJIDSGSA-N 2 0 323.525 2.878 20 0 DFADRP C[NH+]1CCN(CCC(C)(C)[NH2+]C[C@@H]2C[C@H]2c2ccccc2)CC1 ZINC000349821476 285948074 /nfs/dbraw/zinc/94/80/74/285948074.db2.gz LHGINHADMWDEAL-OALUTQOASA-N 2 0 315.505 2.796 20 0 DFADRP Cc1ccc(C)c(NC(=O)[C@H](C)[NH+]2CCC(C[NH+](C)C)CC2)c1 ZINC000354491881 147057829 /nfs/dbraw/zinc/05/78/29/147057829.db2.gz IHSZSAPFJOPJFR-INIZCTEOSA-N 2 0 317.477 2.904 20 0 DFADRP COC(=O)C[C@@H]1CC[C@H]([NH2+]CC2(C[NH+](C)C)CCCC2)[C@H]1C ZINC000354621687 147093482 /nfs/dbraw/zinc/09/34/82/147093482.db2.gz ASORJDUIYTUKIN-JYJNAYRXSA-N 2 0 310.482 2.676 20 0 DFADRP C[C@H]1C[N@H+](CC(=O)NC[C@H](c2ccccc2)[NH+](C)C)C(C)(C)C1 ZINC000354849822 147175768 /nfs/dbraw/zinc/17/57/68/147175768.db2.gz MAQCTGBHWFYAID-NVXWUHKLSA-N 2 0 317.477 2.526 20 0 DFADRP CC[NH+](CC)[C@H](C)CN[C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000355284041 147251841 /nfs/dbraw/zinc/25/18/41/147251841.db2.gz RBROFIBRQJZQBK-YQVWRLOYSA-N 2 0 303.494 2.969 20 0 DFADRP c1ccc(C[NH+]2C[C@@H]3C[NH+](C[C@@H]4CCSC4)C[C@H]3C2)cc1 ZINC000355306590 147257545 /nfs/dbraw/zinc/25/75/45/147257545.db2.gz CHAJVZWLOPYBPY-RCCFBDPRSA-N 2 0 302.487 2.803 20 0 DFADRP COCC(C)(C)C[N@H+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000355324674 147265719 /nfs/dbraw/zinc/26/57/19/147265719.db2.gz YCNCNXWXBGUKOI-HDICACEKSA-N 2 0 302.462 2.723 20 0 DFADRP COc1cc2c(cc1CN(C)CC[C@@H]1CCCC[N@@H+]1C)OCO2 ZINC000355386070 147294526 /nfs/dbraw/zinc/29/45/26/147294526.db2.gz PYYKMDOLEMPXEH-HNNXBMFYSA-N 2 0 320.433 2.730 20 0 DFADRP Cc1ccc([C@H](CNC(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)[NH+](C)C)cc1 ZINC000355410017 147304707 /nfs/dbraw/zinc/30/47/07/147304707.db2.gz NSGIPTZSGGFIIN-JZXOWHBKSA-N 2 0 317.477 2.587 20 0 DFADRP CCC(C)(C)[NH2+][C@@H](C)C(=O)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000356611583 147754244 /nfs/dbraw/zinc/75/42/44/147754244.db2.gz AGWQNJMYRZYSEC-HOTGVXAUSA-N 2 0 309.498 2.630 20 0 DFADRP c1ccc([C@H]([NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)[C@H]2CCOC2)cc1 ZINC000357840371 148144461 /nfs/dbraw/zinc/14/44/61/148144461.db2.gz KBZGZJKJFFUGDB-MANSERQUSA-N 2 0 300.446 2.981 20 0 DFADRP c1ccc([C@H]([NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)[C@@H]2CCOC2)cc1 ZINC000357840372 148144943 /nfs/dbraw/zinc/14/49/43/148144943.db2.gz KBZGZJKJFFUGDB-MKXGPGLRSA-N 2 0 300.446 2.981 20 0 DFADRP c1cc(N2CCC(C[NH2+][C@H]3CC[N@@H+]4CCC[C@H]4C3)CC2)cc[nH+]1 ZINC000357846168 148146920 /nfs/dbraw/zinc/14/69/20/148146920.db2.gz CIFIIIGWDDLLCC-HKUYNNGSSA-N 3 0 314.477 2.514 20 0 DFADRP CCO[C@@H]1CCCC[C@H]1[NH2+]Cc1cc(C2CC[NH2+]CC2)no1 ZINC000425892777 296602861 /nfs/dbraw/zinc/60/28/61/296602861.db2.gz AGGQGFSAIGVMGE-NVXWUHKLSA-N 2 0 307.438 2.579 20 0 DFADRP C[C@H]1C[N@H+](C)CC[C@@H]1[NH2+]CCCC(=O)Nc1ccc(Cl)cc1 ZINC000358013155 148211648 /nfs/dbraw/zinc/21/16/48/148211648.db2.gz JASNKDNSSPTCMH-BBRMVZONSA-N 2 0 323.868 2.989 20 0 DFADRP CSc1ccccc1C[N@H+](C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000358049460 148225818 /nfs/dbraw/zinc/22/58/18/148225818.db2.gz ODUWHMFFVUBBJS-HNNXBMFYSA-N 2 0 322.518 2.933 20 0 DFADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1[NH2+]CCCc1ccc2c(c1)OCCO2 ZINC000358301370 148320594 /nfs/dbraw/zinc/32/05/94/148320594.db2.gz PMFUBKLXFCESSQ-HLLBOEOZSA-N 2 0 318.461 2.709 20 0 DFADRP Cc1cccc2c1CC[C@@H]2[NH2+]C1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000358304380 148322016 /nfs/dbraw/zinc/32/20/16/148322016.db2.gz RWANGIWOKXLHLG-SLFFLAALSA-N 2 0 314.473 2.950 20 0 DFADRP Cc1cnc(CC[NH2+]C2CC[NH+]([C@@H]3CCC[C@H](C)C3)CC2)nc1 ZINC000358357720 148340843 /nfs/dbraw/zinc/34/08/43/148340843.db2.gz RDWKDIUEXKZVGE-MAUKXSAKSA-N 2 0 316.493 2.960 20 0 DFADRP Cc1ccc(F)cc1NC(=O)[C@@H](C)[N@@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000358504488 148379763 /nfs/dbraw/zinc/37/97/63/148379763.db2.gz GUKYASLAEALMIJ-CQSZACIVSA-N 2 0 319.424 2.537 20 0 DFADRP O[C@H](C[NH2+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21)C(F)F ZINC000358573118 148389600 /nfs/dbraw/zinc/38/96/00/148389600.db2.gz QSQPFBMBAVODFK-QBPKDAKJSA-N 2 0 324.415 2.503 20 0 DFADRP CCN1CC[C@H]([NH+]2CCC(CC[N@@H+]3CCCC[C@@H]3C)CC2)C1=O ZINC000660006770 543524488 /nfs/dbraw/zinc/52/44/88/543524488.db2.gz UHQIBKXAWHBGRW-WMZOPIPTSA-N 2 0 321.509 2.584 20 0 DFADRP C[C@H](CC[NH+](C)C)[NH2+][C@H](C)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000360854524 148954215 /nfs/dbraw/zinc/95/42/15/148954215.db2.gz COTQIBCGDRPBEE-CHWSQXEVSA-N 2 0 303.450 2.907 20 0 DFADRP C[C@H]1C[N@H+](C)CC[C@H]1[NH2+]CCCc1nc2c(s1)CCCC2 ZINC000361021595 149009754 /nfs/dbraw/zinc/00/97/54/149009754.db2.gz BENSAZOIPJEOJZ-UONOGXRCSA-N 2 0 307.507 2.884 20 0 DFADRP C[N@@H+]1CCC[C@@H]1CC[NH+]1CCC(CCCn2ccnc2)CC1 ZINC000361045714 149016590 /nfs/dbraw/zinc/01/65/90/149016590.db2.gz MEWFTURCVGAMPK-GOSISDBHSA-N 3 0 304.482 2.860 20 0 DFADRP Cc1ccc(C[NH+](C)C)cc1NC(=O)C[NH+]1[C@@H](C)CC[C@@H]1C ZINC000361205544 149054538 /nfs/dbraw/zinc/05/45/38/149054538.db2.gz ITWYWCXGVOTBCC-GJZGRUSLSA-N 2 0 303.450 2.868 20 0 DFADRP CN(CCC[N@H+](C)C[C@@H]1C[C@H]1c1ccccc1)CC[NH+](C)C ZINC000361395519 149104718 /nfs/dbraw/zinc/10/47/18/149104718.db2.gz OTMFVEOYVHWXSD-OALUTQOASA-N 2 0 303.494 2.605 20 0 DFADRP CC[NH+]1CCN([C@H]2CCN(Cc3ccsc3Cl)C2)CC1 ZINC000361570560 149151562 /nfs/dbraw/zinc/15/15/62/149151562.db2.gz DDGMNJSAMRNENL-AWEZNQCLSA-N 2 0 313.898 2.613 20 0 DFADRP [NH3+]Cc1cc(C(=O)Nc2cccc(C[NH+]3CCCCC3)c2)ccn1 ZINC000361614912 149168870 /nfs/dbraw/zinc/16/88/70/149168870.db2.gz FYHUZRMFIQUIQT-UHFFFAOYSA-N 2 0 324.428 2.779 20 0 DFADRP C[C@H]1C[N@H+](CC(C)(C)C[NH+](C)Cc2ccccc2)C[C@H]1CO ZINC000361663888 149185401 /nfs/dbraw/zinc/18/54/01/149185401.db2.gz XWSPYRNGABHFAE-WMZOPIPTSA-N 2 0 304.478 2.705 20 0 DFADRP CCN(C(=O)Nc1cc(C)c2nccn2c1)[C@@H]1CC[N@H+](CC)C1 ZINC000667147442 543553695 /nfs/dbraw/zinc/55/36/95/543553695.db2.gz CDXYVCUDAIYGSH-OAHLLOKOSA-N 2 0 315.421 2.591 20 0 DFADRP CC[C@@H](C(=O)N1CC[NH+](C2CCCCC2)CC1)[NH+](CC)CC ZINC000361816303 149227915 /nfs/dbraw/zinc/22/79/15/149227915.db2.gz XMSMVFCEPKCBHO-KRWDZBQOSA-N 2 0 309.498 2.584 20 0 DFADRP Cc1cccc(CCC[NH+]2CCC([N@@H+](C)C[C@@H](C)O)CC2)c1 ZINC000350836800 286094596 /nfs/dbraw/zinc/09/45/96/286094596.db2.gz OTBDXIPEFGPWNJ-QGZVFWFLSA-N 2 0 304.478 2.705 20 0 DFADRP CC[N@@H+]1C[C@H](C)[C@H](N[C@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C)C1 ZINC000361965639 149266110 /nfs/dbraw/zinc/26/61/10/149266110.db2.gz IAPJOIFUBGIBMV-QGZVKYPTSA-N 2 0 315.505 2.827 20 0 DFADRP CCC1(CC)CC[NH+](CC(=O)NC2CC[NH+](C3CC3)CC2)CC1 ZINC000362584970 149315528 /nfs/dbraw/zinc/31/55/28/149315528.db2.gz AIRNFLCWFKPEHK-UHFFFAOYSA-N 2 0 321.509 2.632 20 0 DFADRP CCC[C@H]([NH2+][C@@H]1CCN(C2CC[NH+](C)CC2)C1)c1ccccn1 ZINC000362660445 149335945 /nfs/dbraw/zinc/33/59/45/149335945.db2.gz YDSOUHOKVXXQEE-APWZRJJASA-N 2 0 316.493 2.681 20 0 DFADRP CC[C@@H]1C[N@@H+]2CCCC[C@@H]2CN1C(=O)C[C@H]([NH3+])c1ccccc1 ZINC000371280290 150014728 /nfs/dbraw/zinc/01/47/28/150014728.db2.gz OQRMRMYLZWPHGL-KURKYZTESA-N 2 0 315.461 2.552 20 0 DFADRP Cc1cc(C)cc(C[N@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@H]32)c1 ZINC000371294531 150017828 /nfs/dbraw/zinc/01/78/28/150017828.db2.gz LLFWCIXFVDRELC-GUDVDZBRSA-N 2 0 302.462 2.987 20 0 DFADRP Cc1cccc2ncc(CN3C[C@@H]4C[N@@H+]5CCCC[C@@H]5[C@@H]4C3)n21 ZINC000371403592 150040145 /nfs/dbraw/zinc/04/01/45/150040145.db2.gz VCHSEMCEHFEZCN-KBAYOESNSA-N 2 0 310.445 2.559 20 0 DFADRP Cc1noc(C2CCC([NH2+]C3CC[NH+](CC4CC4)CC3)CC2)n1 ZINC000371545678 150063268 /nfs/dbraw/zinc/06/32/68/150063268.db2.gz WSUZUZRVRIFWEW-UHFFFAOYSA-N 2 0 318.465 2.868 20 0 DFADRP c1cn(-c2ccc(C[N@@H+]3CC[C@H](Oc4ccccc4)C3)cn2)cn1 ZINC000371866192 150105905 /nfs/dbraw/zinc/10/59/05/150105905.db2.gz FHQALCTXIJAZHD-SFHVURJKSA-N 2 0 320.396 2.921 20 0 DFADRP C[N@H+](CCN1CCC[C@@H]1[C@@H]1CCC[NH+]1C)Cc1ccc(F)cc1 ZINC000372357557 150166331 /nfs/dbraw/zinc/16/63/31/150166331.db2.gz PTJHYSLTDGBHSL-RBUKOAKNSA-N 2 0 319.468 2.816 20 0 DFADRP C[C@@H]([NH2+]CCc1cnccn1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000372355317 150167315 /nfs/dbraw/zinc/16/73/15/150167315.db2.gz LOTQDJORXWGBDV-SJLPKXTDSA-N 2 0 310.445 2.519 20 0 DFADRP Cc1ccc(C)c(C[N@@H+](C)[C@@H]2CCN(C3CC[NH+](C)CC3)C2)c1 ZINC000372364084 150167819 /nfs/dbraw/zinc/16/78/19/150167819.db2.gz DERZILQEPDIMPI-HXUWFJFHSA-N 2 0 315.505 2.904 20 0 DFADRP CSC[C@@H](O)C[N@@H+]1CCC[C@@H]([NH+](C)Cc2ccccc2)CC1 ZINC000372922624 150203064 /nfs/dbraw/zinc/20/30/64/150203064.db2.gz IZPBODNYYUMFEB-MSOLQXFVSA-N 2 0 322.518 2.697 20 0 DFADRP C[C@@H]1C[C@H](NC(=O)[C@H]2CCCC[NH+]2C2CCCC2)C[N@@H+]1C1CC1 ZINC000372967067 150208808 /nfs/dbraw/zinc/20/88/08/150208808.db2.gz SWWJDLFHQYTAHK-RVKKMQEKSA-N 2 0 319.493 2.525 20 0 DFADRP CC[NH+]1CCN([C@@H]2CC[N@H+](Cc3ccc(C)cc3Cl)C2)CC1 ZINC000373149579 150237837 /nfs/dbraw/zinc/23/78/37/150237837.db2.gz GXKNFSHMBQSRFI-QGZVFWFLSA-N 2 0 321.896 2.860 20 0 DFADRP Cc1cccc2ncc(C[N@H+]3CCC[C@@H](c4nccn4C)C3)n21 ZINC000373227490 150250699 /nfs/dbraw/zinc/25/06/99/150250699.db2.gz KAIPUSRCVDRHMQ-OAHLLOKOSA-N 2 0 309.417 2.756 20 0 DFADRP COc1ccc(C[N@@H+]2CCC[C@@H](c3nccn3C)C2)cc1OC ZINC000373230457 150251243 /nfs/dbraw/zinc/25/12/43/150251243.db2.gz QOAUCGJWVZRZMK-OAHLLOKOSA-N 2 0 315.417 2.817 20 0 DFADRP C[C@H](CC[NH+]1CCN([C@@H]2CCC[N@H+](C)C2)CC1)c1ccccc1 ZINC000373912657 150276894 /nfs/dbraw/zinc/27/68/94/150276894.db2.gz QMEKZUMRJYOCAL-UYAOXDASSA-N 2 0 315.505 2.892 20 0 DFADRP C[C@@H]1[C@@H]([NH2+]CCN2CC[N@H+](C)C(C)(C)C2)C[C@@H]1c1ccccc1 ZINC000374232555 150327757 /nfs/dbraw/zinc/32/77/57/150327757.db2.gz VXNKVGJPZMWPNY-WDSOQIARSA-N 2 0 315.505 2.794 20 0 DFADRP CCOC(=O)CCC[NH+]1CCC2(C[C@@H]2C[N@H+](C)C2CC2)CC1 ZINC000374294417 150337939 /nfs/dbraw/zinc/33/79/39/150337939.db2.gz JZSBYRAHFZONDH-OAHLLOKOSA-N 2 0 308.466 2.526 20 0 DFADRP CCOc1ccc(CN2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@@H]32)cc1 ZINC000374428847 150366091 /nfs/dbraw/zinc/36/60/91/150366091.db2.gz NHOSWESXIZROEN-NZSAHSFTSA-N 2 0 318.461 2.769 20 0 DFADRP c1cnc(CC[NH2+]C2CC[NH+](CC3CCCCC3)CC2)cn1 ZINC000374986362 150378680 /nfs/dbraw/zinc/37/86/80/150378680.db2.gz ADGZNPWJKQFRPZ-UHFFFAOYSA-N 2 0 302.466 2.653 20 0 DFADRP C[C@H]([NH3+])[C@@H]1CC[N@H+](CCC(=O)Nc2cccc3ccccc32)C1 ZINC000351857424 286233337 /nfs/dbraw/zinc/23/33/37/286233337.db2.gz BEWOVQZKKAOYKV-GOEBONIOSA-N 2 0 311.429 2.838 20 0 DFADRP CC(C)[NH+]1CCN(CCC[NH+]2CCC(C)(C3CC3)CC2)CC1 ZINC000352176517 286312332 /nfs/dbraw/zinc/31/23/32/286312332.db2.gz PXRHWWNYYOOVEJ-UHFFFAOYSA-N 2 0 307.526 2.915 20 0 DFADRP CCC[C@@H]([NH2+]C(C)C)C(=O)N(CC[NH+](C)C)Cc1ccccc1 ZINC000352191463 286315710 /nfs/dbraw/zinc/31/57/10/286315710.db2.gz VHMBKLINIPYHSY-GOSISDBHSA-N 2 0 319.493 2.744 20 0 DFADRP C[C@H]1CC[C@H](C)[NH+]1CC(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000352411797 286366739 /nfs/dbraw/zinc/36/67/39/286366739.db2.gz YXYPZCLWAZIMLL-HOTGVXAUSA-N 2 0 321.509 2.773 20 0 DFADRP CC(C)CNC(=O)c1cccc(C[N@@H+]2CCCC[C@H]2CC[NH3+])c1 ZINC000352504878 286391443 /nfs/dbraw/zinc/39/14/43/286391443.db2.gz VSFSGDGLEHBLPY-SFHVURJKSA-N 2 0 317.477 2.776 20 0 DFADRP [NH3+]CCC[N@@H+](CC(=O)N(C1CC1)C1CCCC1)CC1CCCC1 ZINC000352496688 286388833 /nfs/dbraw/zinc/38/88/33/286388833.db2.gz YJLGHUFQFIZFRI-UHFFFAOYSA-N 2 0 321.509 2.761 20 0 DFADRP Cn1c2ccccc2nc1CC[N@H+](CCC[NH3+])CC1CCCC1 ZINC000352504600 286391248 /nfs/dbraw/zinc/39/12/48/286391248.db2.gz SANJSXCIHFSPAG-UHFFFAOYSA-N 2 0 314.477 2.957 20 0 DFADRP [NH3+]CC[C@H]1CCCC[N@@H+]1Cc1cnc(-c2ccncc2)s1 ZINC000352526399 286398336 /nfs/dbraw/zinc/39/83/36/286398336.db2.gz NEFKHQOVKIUAEN-CQSZACIVSA-N 2 0 302.447 2.908 20 0 DFADRP C[C@H](C[NH2+]C1CCC2(CCCC2)CC1)CN1CC[NH+](C)CC1 ZINC000352831863 286479424 /nfs/dbraw/zinc/47/94/24/286479424.db2.gz CZBYOYUKSNHBKH-QGZVFWFLSA-N 2 0 307.526 2.963 20 0 DFADRP COCCC[NH+]1CCC([NH2+][C@H](C)c2ccccc2N(C)C)CC1 ZINC000093944268 292350747 /nfs/dbraw/zinc/35/07/47/292350747.db2.gz GTBMPACZKUJFFG-MRXNPFEDSA-N 2 0 319.493 2.904 20 0 DFADRP CSC1(C[NH2+]Cc2cn3cc(C)ccc3n2)CC[NH+](C)CC1 ZINC000353212763 286580978 /nfs/dbraw/zinc/58/09/78/286580978.db2.gz RNZFKBZOBCAFGA-UHFFFAOYSA-N 2 0 318.490 2.560 20 0 DFADRP CC[NH+]1CCN([C@@H](C)C[NH2+][C@@H](C)C2CCC(F)(F)CC2)CC1 ZINC000353249320 286590550 /nfs/dbraw/zinc/59/05/50/286590550.db2.gz LVSZEPVYWMMRCS-GJZGRUSLSA-N 2 0 317.468 2.816 20 0 DFADRP CC[NH+](CC)CCOCC[NH2+][C@@H]1CCCC[C@@H]1[C@H]1CCOC1 ZINC000353272680 286597841 /nfs/dbraw/zinc/59/78/41/286597841.db2.gz OYZILEQFATZDSV-RCCFBDPRSA-N 2 0 312.498 2.530 20 0 DFADRP C[C@H](C[NH2+][C@H](C)C1CCC(F)(F)CC1)CN1CC[NH+](C)CC1 ZINC000353294696 286604157 /nfs/dbraw/zinc/60/41/57/286604157.db2.gz VPGHLSGIWVMFQO-HUUCEWRRSA-N 2 0 317.468 2.674 20 0 DFADRP C[C@H]([NH3+])c1ccc(CNC(=O)[C@@H](C)[C@@H]([NH3+])c2ccccc2)cc1 ZINC000429512575 296747597 /nfs/dbraw/zinc/74/75/97/296747597.db2.gz ZGNNNIHJZQEBDC-SUNYJGFJSA-N 2 0 311.429 2.659 20 0 DFADRP CC[C@H](O)C[NH+]1CCN(c2c(C)c[nH+]c3c(C)cccc32)CC1 ZINC000185310338 158052951 /nfs/dbraw/zinc/05/29/51/158052951.db2.gz SKILEZHFDHLYHG-INIZCTEOSA-N 2 0 313.445 2.745 20 0 DFADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@H](C)Oc2ccc(OC)cc2)[C@H](C)C1 ZINC000246939814 158106799 /nfs/dbraw/zinc/10/67/99/158106799.db2.gz GUVLYRJWRXDJIL-VKJFTORMSA-N 2 0 306.450 2.782 20 0 DFADRP CCCC(=O)Nc1ccc(C[NH2+][C@H]2CC[N@H+](C)[C@@H](C)C2)cc1 ZINC000247171178 158120833 /nfs/dbraw/zinc/12/08/33/158120833.db2.gz URCUNHYEHWINFW-YOEHRIQHSA-N 2 0 303.450 2.998 20 0 DFADRP CC[N@@H+]1CC[C@H]([NH2+]CCn2c(C)nc3ccccc32)[C@@H](C)C1 ZINC000247885150 158152272 /nfs/dbraw/zinc/15/22/72/158152272.db2.gz CTPNXEXPQCUOKE-HOCLYGCPSA-N 2 0 300.450 2.665 20 0 DFADRP CC[C@H](C)[C@H](O)C[NH2+][C@H](C)c1cccc(OCC[NH+](C)C)c1 ZINC000247944578 158153716 /nfs/dbraw/zinc/15/37/16/158153716.db2.gz DKPBXZSLYSOBQP-HDMKZQKVSA-N 2 0 308.466 2.685 20 0 DFADRP C[C@H]([NH2+]C[C@@H]1CCC[C@@H](O)C1)c1ccc(OCC[NH+](C)C)cc1 ZINC000248130055 158161509 /nfs/dbraw/zinc/16/15/09/158161509.db2.gz OIKDPYJRFPBDAX-LZLYRXPVSA-N 2 0 320.477 2.829 20 0 DFADRP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@H]1c2cccc(F)c2CC[C@H]1C ZINC000248171573 158163116 /nfs/dbraw/zinc/16/31/16/158163116.db2.gz UWTVWBYPGFIKMO-SPYBWZPUSA-N 2 0 319.468 2.675 20 0 DFADRP CCOCCC[N@@H+]1CC[C@H](N[C@@H](C)c2nccs2)[C@@H](C)C1 ZINC000248184176 158164661 /nfs/dbraw/zinc/16/46/61/158164661.db2.gz XAASDZMSTWPWBL-KKUMJFAQSA-N 2 0 311.495 2.931 20 0 DFADRP C[N@@H+]1CCC[C@H]2C[NH+](CCCCC(=O)OC(C)(C)C)CC[C@@H]21 ZINC000248435403 158176339 /nfs/dbraw/zinc/17/63/39/158176339.db2.gz ACUPIHGVBNNMEG-HOTGVXAUSA-N 2 0 310.482 2.915 20 0 DFADRP O[C@@H](CCc1ccccc1)C[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000248569671 158184630 /nfs/dbraw/zinc/18/46/30/158184630.db2.gz LTJZAKCUCRPPCO-PMACEKPBSA-N 2 0 316.489 2.788 20 0 DFADRP CC[N@@H+]1CC[C@H]([NH+](C)C[C@H](O)CCc2ccccc2)[C@@H](C)C1 ZINC000248597798 158187804 /nfs/dbraw/zinc/18/78/04/158187804.db2.gz UEJMUPWSNWHVRY-UHOSZYNNSA-N 2 0 304.478 2.642 20 0 DFADRP CC[N@@H+]1CC[C@@H]([NH2+]C2CCC(O)(c3cccnc3)CC2)[C@@H](C)C1 ZINC000248640210 158192080 /nfs/dbraw/zinc/19/20/80/158192080.db2.gz NHZXGVJWJWHYCB-WEOZKBJRSA-N 2 0 317.477 2.532 20 0 DFADRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@H]1C[C@@H](OC(C)C)C1(C)C ZINC000248703060 158196858 /nfs/dbraw/zinc/19/68/58/158196858.db2.gz ALJRLPQGWQHESM-OWCLPIDISA-N 2 0 300.487 2.525 20 0 DFADRP OCCCC[NH2+][C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000248819673 158202994 /nfs/dbraw/zinc/20/29/94/158202994.db2.gz WIJMHSOQMFLVGN-IPMKNSEASA-N 2 0 302.462 2.649 20 0 DFADRP C[C@@H](c1ccccc1)[N@@H+]1CCN(C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000355027983 158256546 /nfs/dbraw/zinc/25/65/46/158256546.db2.gz FLYCAQNKZOBOTQ-IRXDYDNUSA-N 2 0 301.478 2.848 20 0 DFADRP CCC[C@H]([NH2+]C(C)C)C(=O)Nc1ccccc1CC[NH+](C)C ZINC000356873535 158318905 /nfs/dbraw/zinc/31/89/05/158318905.db2.gz RITLVRVXITZQIL-KRWDZBQOSA-N 2 0 305.466 2.896 20 0 DFADRP C[C@H](CC[NH+](C)C)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000358670746 158397538 /nfs/dbraw/zinc/39/75/38/158397538.db2.gz WVOGERNTSWJGKM-ZHALLVOQSA-N 2 0 303.494 2.969 20 0 DFADRP CC[C@@H](C(=O)NC[C@H](c1ccc(C)cc1)[NH+]1CCCC1)[NH+](C)C ZINC000126492512 286741044 /nfs/dbraw/zinc/74/10/44/286741044.db2.gz ALNMERYBDNCRLF-ZWKOTPCHSA-N 2 0 317.477 2.588 20 0 DFADRP C[C@H](CC(=O)Nc1ccc(CC[NH+](C)C)cc1)C1CC[NH2+]CC1 ZINC000430880481 296810409 /nfs/dbraw/zinc/81/04/09/296810409.db2.gz YBULRLOCHUREIR-OAHLLOKOSA-N 2 0 317.477 2.755 20 0 DFADRP Cc1cc(C)c(NC(=O)[C@@H](C)[NH+]2CCC([C@H](C)[NH3+])CC2)c(C)c1 ZINC000430919647 296811963 /nfs/dbraw/zinc/81/19/63/296811963.db2.gz RGNYCLGKIZUSBZ-JKSUJKDBSA-N 2 0 317.477 2.998 20 0 DFADRP COc1ccc(C[NH+]2CCC3(CC[NH2+]C3)CC2)c(Cl)c1OC ZINC000430931168 296812697 /nfs/dbraw/zinc/81/26/97/296812697.db2.gz VKBIWDSGGWAMEX-UHFFFAOYSA-N 2 0 324.852 2.933 20 0 DFADRP C[NH2+]CC1CC[NH+]([C@H](C)C(=O)Nc2c(C)cccc2C)CC1 ZINC000430931763 296813021 /nfs/dbraw/zinc/81/30/21/296813021.db2.gz DLXGFMGEASPIIX-OAHLLOKOSA-N 2 0 303.450 2.562 20 0 DFADRP Cc1ccc([C@H](C)NC(=O)C[NH+]2CCC([C@@H](C)[NH3+])CC2)cc1C ZINC000430965346 296816049 /nfs/dbraw/zinc/81/60/49/296816049.db2.gz IVRQJNSMXOEAKH-CVEARBPZSA-N 2 0 317.477 2.540 20 0 DFADRP Cc1ccc([C@@H](C)NC(=O)C[NH+]2CCC([C@H](C)[NH3+])CC2)cc1C ZINC000430965352 296816070 /nfs/dbraw/zinc/81/60/70/296816070.db2.gz IVRQJNSMXOEAKH-JKSUJKDBSA-N 2 0 317.477 2.540 20 0 DFADRP Cc1c(Cl)cccc1NC(=O)C[NH+]1CCC2(CC[NH2+]C2)CC1 ZINC000431017540 296818089 /nfs/dbraw/zinc/81/80/89/296818089.db2.gz QWOHTVLGBDFWNM-UHFFFAOYSA-N 2 0 321.852 2.662 20 0 DFADRP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+]C[C@H]1CCO[C@@H]1C(C)C ZINC000431681416 296845867 /nfs/dbraw/zinc/84/58/67/296845867.db2.gz LXZYOMRGNKUZDZ-CRAIPNDOSA-N 2 0 314.433 2.726 20 0 DFADRP C[C@@H]([NH2+]C[C@H](O)C[NH+]1CCCC1)C12CC3CC(CC(C3)C1)C2 ZINC000314743708 287036811 /nfs/dbraw/zinc/03/68/11/287036811.db2.gz SEFIUMJNBWZWFL-ONBNRTMESA-N 2 0 306.494 2.638 20 0 DFADRP C[C@@H](O)[C@@](C)(C[NH2+][C@H]1C[C@H](C)[N@H+](C)C[C@H]1C)Cc1ccccc1 ZINC000188920755 287112575 /nfs/dbraw/zinc/11/25/75/287112575.db2.gz XTOPDHHJAMXUAF-FPPGBKCQSA-N 2 0 318.505 2.935 20 0 DFADRP C[N@H+](Cc1ccccc1)CC(C)(C)C[NH+]1CCC[C@](C)(O)C1 ZINC000129518727 196054828 /nfs/dbraw/zinc/05/48/28/196054828.db2.gz HHHRPXIJLDNUBG-IBGZPJMESA-N 2 0 304.478 2.991 20 0 DFADRP C[C@@H](C[NH2+][C@@H](C)c1cccc(OCC[NH+](C)C)c1)N(C)C1CC1 ZINC000130875193 196119082 /nfs/dbraw/zinc/11/90/82/196119082.db2.gz ZFTVOFNEDCBLPB-HOTGVXAUSA-N 2 0 319.493 2.760 20 0 DFADRP COc1cc([C@H](C)[NH2+]CC[C@@H]2CCC[N@@H+]2C)cc(OC)c1OC ZINC000271630536 209075793 /nfs/dbraw/zinc/07/57/93/209075793.db2.gz BJWFTMNIODQMBS-ZFWWWQNUSA-N 2 0 322.449 2.847 20 0 DFADRP CC(C)[C@@H](C(=O)N1CCC[C@@H](C[NH+]2CCC(C)CC2)C1)[NH+](C)C ZINC000131605455 196183759 /nfs/dbraw/zinc/18/37/59/196183759.db2.gz PGSBRMBXXDZTPM-ROUUACIJSA-N 2 0 323.525 2.543 20 0 DFADRP C[C@H]([NH2+]CC(C)(C)C[NH+](C)C)c1cccc(OCC[NH+](C)C)c1 ZINC000132124716 196228220 /nfs/dbraw/zinc/22/82/20/196228220.db2.gz NRKQKWISCYFVPY-INIZCTEOSA-N 3 0 321.509 2.865 20 0 DFADRP Cc1cccc2c1CC[C@@H]2[NH2+]C[C@H](C(C)C)N1CC[NH+](C)CC1 ZINC000132418885 196254724 /nfs/dbraw/zinc/25/47/24/196254724.db2.gz PDJSSZZTEFRIBH-VQTJNVASSA-N 2 0 315.505 2.844 20 0 DFADRP C([C@H]1CCOC1)[NH+]1CCC([NH2+]C2C3CC4CC(C3)CC2C4)CC1 ZINC000132732191 196278718 /nfs/dbraw/zinc/27/87/18/196278718.db2.gz QMUJNLDZMIDBJY-UABJAZSOSA-N 2 0 318.505 2.902 20 0 DFADRP [NH3+]Cc1ccc(C(=O)N[C@@H]2CCC[N@H+](Cc3ccccc3)C2)cc1 ZINC000132821538 196286641 /nfs/dbraw/zinc/28/66/41/196286641.db2.gz WKTBCTWDAYDQOF-LJQANCHMSA-N 2 0 323.440 2.540 20 0 DFADRP COc1ccc([C@@H](C)[NH2+]C2CC[NH+](C[C@H]3CCOC3)CC2)cc1 ZINC000133094823 196310727 /nfs/dbraw/zinc/31/07/27/196310727.db2.gz BGNPDPZSAWFFFF-HZPDHXFCSA-N 2 0 318.461 2.847 20 0 DFADRP C[C@@H](C[NH2+]CC1CC[NH+](CCN(C)C)CC1)Cc1ccccc1 ZINC000133899209 196344356 /nfs/dbraw/zinc/34/43/56/196344356.db2.gz NRJJWKDKKQNUDC-GOSISDBHSA-N 2 0 317.521 2.728 20 0 DFADRP CCOc1cccc(C[NH+]2CCC(C[NH+]3CCOCC3)CC2)c1 ZINC000134053327 196357601 /nfs/dbraw/zinc/35/76/01/196357601.db2.gz SVYRMUYPIAAQAI-UHFFFAOYSA-N 2 0 318.461 2.630 20 0 DFADRP C[C@@H]1C[C@@H](NC[C@@H](c2cccs2)[NH+]2CCCC2)CC[N@@H+]1C ZINC000134138967 196365110 /nfs/dbraw/zinc/36/51/10/196365110.db2.gz QMLLMNWKHNCOEB-PMPSAXMXSA-N 2 0 307.507 2.957 20 0 DFADRP Cc1ccc(C)c(NC(=O)C[NH+]2CCC([C@H]3CC[NH2+]C3)CC2)c1 ZINC000357065998 533680516 /nfs/dbraw/zinc/68/05/16/533680516.db2.gz BDEJKKRVTPXGRC-KRWDZBQOSA-N 2 0 315.461 2.563 20 0 DFADRP c1cc(-c2ccc(C[NH2+]CC3CC[NH+](C4CC4)CC3)o2)n[nH]1 ZINC000433338061 296908161 /nfs/dbraw/zinc/90/81/61/296908161.db2.gz UJPVLUWFVDAOQE-UHFFFAOYSA-N 2 0 300.406 2.634 20 0 DFADRP C[NH+](C)[C@H]1CCc2cc(NC(=O)N3CCC(C)([NH3+])CC3)ccc21 ZINC000667662167 543653552 /nfs/dbraw/zinc/65/35/52/543653552.db2.gz ZPJXBTHPBHAZIY-INIZCTEOSA-N 2 0 316.449 2.581 20 0 DFADRP CN(CC[C@H]1CCCC[N@@H+]1C)Cc1ccnn1-c1cc[nH+]cc1 ZINC000667668468 543656351 /nfs/dbraw/zinc/65/63/51/543656351.db2.gz OGDZXXVOKAYNGU-MRXNPFEDSA-N 2 0 313.449 2.574 20 0 DFADRP [NH3+]Cc1cccc(NC(=O)NCCC[NH2+]C2CCCCC2)c1 ZINC000667727729 543668119 /nfs/dbraw/zinc/66/81/19/543668119.db2.gz HOBYUWIZBLTPIJ-UHFFFAOYSA-N 2 0 304.438 2.579 20 0 DFADRP C[NH+](C)[C@H](CNC(=O)Nc1cccc(C[NH3+])c1)c1cccs1 ZINC000667732717 543668944 /nfs/dbraw/zinc/66/89/44/543668944.db2.gz QBVSLGHOXYLQSX-CQSZACIVSA-N 2 0 318.446 2.631 20 0 DFADRP C[N@@H+]1CC[C@@H](NC(=O)Nc2cccc(C[NH3+])c2)[C@H]1c1ccccc1 ZINC000667734968 543670030 /nfs/dbraw/zinc/67/00/30/543670030.db2.gz CUIHWKRWZVHDSP-QZTJIDSGSA-N 2 0 324.428 2.712 20 0 DFADRP OC1CC[NH+](Cc2ccc(C[NH2+][C@@H]3CCC[C@@H]4C[C@@H]43)cc2)CC1 ZINC000667756375 543673273 /nfs/dbraw/zinc/67/32/73/543673273.db2.gz TVWNDCBAPTYDBI-YZGWKJHDSA-N 2 0 314.473 2.922 20 0 DFADRP CN(C)c1cc[nH+]c(NC(=O)C[C@@H](c2ccccc2)[NH+](C)C)c1 ZINC000667984684 543717984 /nfs/dbraw/zinc/71/79/84/543717984.db2.gz CLKPAXNBADIVEU-INIZCTEOSA-N 2 0 312.417 2.779 20 0 DFADRP OC[C@@H]1CCC[N@@H+]1Cc1ccccc1C[NH2+][C@H]1CCC[C@@H]2C[C@@H]21 ZINC000667962780 543713866 /nfs/dbraw/zinc/71/38/66/543713866.db2.gz ZPTOHBKMNUKPLZ-TTYHFUOFSA-N 2 0 314.473 2.922 20 0 DFADRP CCN(CCC[NH+](C)C)Cc1cncc(Br)c1C ZINC000668165858 543756003 /nfs/dbraw/zinc/75/60/03/543756003.db2.gz IMSCTSBWXAEKSO-UHFFFAOYSA-N 2 0 314.271 2.926 20 0 DFADRP C[C@@H]1CN(C)CC[C@H]1[N@H+](C)Cc1ccc(O[C@H]2CCOC2)cc1 ZINC000668172856 543759005 /nfs/dbraw/zinc/75/90/05/543759005.db2.gz VFBGTFINUUTSBP-AYOQOUSVSA-N 2 0 318.461 2.626 20 0 DFADRP C[NH+](C)CCC[C@@H]1C[N@H+](C[C@H]2C[C@H]2c2ccccc2)CCO1 ZINC000668785857 543867875 /nfs/dbraw/zinc/86/78/75/543867875.db2.gz ZIGLXGSDYJAWQA-QRVBRYPASA-N 2 0 302.462 2.833 20 0 DFADRP COCC1CCC([NH2+]Cc2ccccc2OCC[NH+](C)C)CC1 ZINC000296595438 226029986 /nfs/dbraw/zinc/02/99/86/226029986.db2.gz XZRWYNNOANTIJM-UHFFFAOYSA-N 2 0 320.477 2.922 20 0 DFADRP CO[C@H](Cc1ccccc1)C[N@@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000296673781 226108890 /nfs/dbraw/zinc/10/88/90/226108890.db2.gz HGSLHYAVCSQGKB-RTBURBONSA-N 2 0 302.462 2.662 20 0 DFADRP CCC(CC)(CNC(=O)NC[C@H](C)[NH3+])[NH2+][C@@H](C)c1ccccc1 ZINC000669479793 543954467 /nfs/dbraw/zinc/95/44/67/543954467.db2.gz UKRFNBOXSNSIIX-GJZGRUSLSA-N 2 0 320.481 2.542 20 0 DFADRP C[C@H](C[NH2+]Cc1ccc(N2CC[NH+](C)CC2)nc1)C(C)(C)C ZINC000670266378 544031107 /nfs/dbraw/zinc/03/11/07/544031107.db2.gz BBDICTNDTWFEHW-OAHLLOKOSA-N 2 0 304.482 2.605 20 0 DFADRP C[NH+](C)CCOc1ccc(C[N@@H+]2CCC[C@@H]2[C@H]2CCCO2)cc1 ZINC000671309027 544067115 /nfs/dbraw/zinc/06/71/15/544067115.db2.gz GDUPGUBRDSBKKK-RTBURBONSA-N 2 0 318.461 2.770 20 0 DFADRP CCO[C@@H](CC[NH+](C)C)C[NH2+][C@@H](C)c1ccc2[nH]c(=O)oc2c1 ZINC000671750353 544106476 /nfs/dbraw/zinc/10/64/76/544106476.db2.gz SQJDRIMKCUPUQC-JSGCOSHPSA-N 2 0 321.421 2.541 20 0 DFADRP CCC[C@@]1([NH2+]Cc2ccc(OCC[NH+](C)C)cc2)CCOC1 ZINC000671726615 544103202 /nfs/dbraw/zinc/10/32/02/544103202.db2.gz ZDDQORFZNDSDIT-GOSISDBHSA-N 2 0 306.450 2.676 20 0 DFADRP CO[C@@]1(C)C[C@H]([NH2+]C2CCN(c3cc[nH+]cc3)CC2)C1(C)C ZINC000297334677 227024133 /nfs/dbraw/zinc/02/41/33/227024133.db2.gz DAUQDWSZWTWKSN-WMZOPIPTSA-N 2 0 303.450 2.844 20 0 DFADRP CO[C@]1(C)C[C@H]([NH2+]C2CCN(c3cc[nH+]cc3)CC2)C1(C)C ZINC000297334674 227026484 /nfs/dbraw/zinc/02/64/84/227026484.db2.gz DAUQDWSZWTWKSN-FUHWJXTLSA-N 2 0 303.450 2.844 20 0 DFADRP CC[NH+](CC)CCO[C@@H]1CC[N@H+](Cc2cccc(N(C)C)c2)C1 ZINC000673757103 544196292 /nfs/dbraw/zinc/19/62/92/544196292.db2.gz MISYAAXSDOECJT-LJQANCHMSA-N 2 0 319.493 2.685 20 0 DFADRP c1[nH]c2nccnc2c1C[NH2+]CCCCC[NH+]1CCCCC1 ZINC000290946114 222020845 /nfs/dbraw/zinc/02/08/45/222020845.db2.gz UNOYGVXWZXYTGP-UHFFFAOYSA-N 2 0 301.438 2.704 20 0 DFADRP CC[C@H](C[NH+]1CCCC1)NC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000674094527 544220069 /nfs/dbraw/zinc/22/00/69/544220069.db2.gz OXMCEDLOPLXDJU-IAGOWNOFSA-N 2 0 321.509 2.632 20 0 DFADRP C[C@@H](C(=O)Nc1ccc(C[NH+]2CCCCCC2)cc1)[NH+](C)C ZINC000674287990 544229023 /nfs/dbraw/zinc/22/90/23/544229023.db2.gz KPOPZOBFFGVEGT-HNNXBMFYSA-N 2 0 303.450 2.951 20 0 DFADRP CC[N@@H+]1CC[C@H](N(C)Cc2cn3cccc(C)c3n2)[C@H](C)C1 ZINC000674306015 544230723 /nfs/dbraw/zinc/23/07/23/544230723.db2.gz YOBRNSAWMKUYRS-WBVHZDCISA-N 2 0 300.450 2.805 20 0 DFADRP C[C@H]([NH2+][C@@H](c1nccn1C)c1ccccc1)C1CC[NH+](C)CC1 ZINC000675739257 544332364 /nfs/dbraw/zinc/33/23/64/544332364.db2.gz SEXJJORJUPHBIB-MAUKXSAKSA-N 2 0 312.461 2.829 20 0 DFADRP CCC[NH+]1CCC([NH2+][C@@H]2CCN(C(=O)C(C)C)C[C@H]2CC)CC1 ZINC000675916093 544344125 /nfs/dbraw/zinc/34/41/25/544344125.db2.gz ARRWSVHRGXRAQK-SJLPKXTDSA-N 2 0 323.525 2.734 20 0 DFADRP Cc1cccc2oc(CC[NH2+][C@@H](C)C3CC[NH+](C)CC3)nc21 ZINC000675918713 544344336 /nfs/dbraw/zinc/34/43/36/544344336.db2.gz RWECFXKBPRIYFM-AWEZNQCLSA-N 2 0 301.434 2.999 20 0 DFADRP CC[C@@H]1CN(C(=O)C(C)C)CC[C@@H]1[NH2+][C@H](C)C1CC[NH+](C)CC1 ZINC000675922454 544344538 /nfs/dbraw/zinc/34/45/38/544344538.db2.gz WGEAYVMWROWALI-NUJGCVRESA-N 2 0 323.525 2.589 20 0 DFADRP CO[C@@H]1CCC[C@H]([NH2+]Cc2ccc(OCC[NH+](C)C)cc2)C1 ZINC000676571142 544386190 /nfs/dbraw/zinc/38/61/90/544386190.db2.gz AMIGIJKMGUNWDU-FUHWJXTLSA-N 2 0 306.450 2.674 20 0 DFADRP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@H](C)c2nc(C)sc2C)CC1 ZINC000676490209 544379648 /nfs/dbraw/zinc/37/96/48/544379648.db2.gz OGDVZPNUWOVZRL-ZIAGYGMSSA-N 2 0 324.538 2.684 20 0 DFADRP COc1ccccc1OCCC[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000677242384 544458257 /nfs/dbraw/zinc/45/82/57/544458257.db2.gz ZMNZEIIKKAAOJE-HZPDHXFCSA-N 2 0 304.434 2.681 20 0 DFADRP CC[C@H](C[NH+]1CCN([C@@H]2CCC[N@H+](C)C2)CC1)c1ccccc1 ZINC000678258767 544634549 /nfs/dbraw/zinc/63/45/49/544634549.db2.gz MQAFYBPPYBCRSO-UYAOXDASSA-N 2 0 315.505 2.892 20 0 DFADRP C[NH+](C)CCOc1ccc(C[N@H+](C[C@H]2CCOC2)C2CC2)cc1 ZINC000678135928 544608266 /nfs/dbraw/zinc/60/82/66/544608266.db2.gz KHFSIDMNLYWCIT-QGZVFWFLSA-N 2 0 318.461 2.628 20 0 DFADRP Brc1ccc2c(c1)[C@H]([NH+]1C[C@@H]3C[NH2+]C[C@H]3C1)CCC2 ZINC000678312459 544649888 /nfs/dbraw/zinc/64/98/88/544649888.db2.gz JSGUCNBQUYQQGD-HEHGZKQESA-N 2 0 321.262 2.978 20 0 DFADRP CCN1CC[NH+](CCCC[NH2+][C@@H](C)c2ccc(C)nc2C)CC1 ZINC000678411303 544668683 /nfs/dbraw/zinc/66/86/83/544668683.db2.gz KMVLULRLWXOIHW-KRWDZBQOSA-N 2 0 318.509 2.767 20 0 DFADRP CCN1CC[NH+](CCCC[NH2+][C@H](C)c2ccc(C)nc2C)CC1 ZINC000678411304 544669127 /nfs/dbraw/zinc/66/91/27/544669127.db2.gz KMVLULRLWXOIHW-QGZVFWFLSA-N 2 0 318.509 2.767 20 0 DFADRP Cc1ccc([C@@H](C)[NH2+][C@H]2CCN(C3CC[NH+](C)CC3)C2)c(C)n1 ZINC000678428294 544672111 /nfs/dbraw/zinc/67/21/11/544672111.db2.gz PHZQJYCDSKKVJI-SJORKVTESA-N 2 0 316.493 2.518 20 0 DFADRP CC[N@@H+]1CC[C@H](N(C)Cc2cn3cccc(F)c3n2)[C@@H](C)C1 ZINC000678277238 544641329 /nfs/dbraw/zinc/64/13/29/544641329.db2.gz HBKASKBHZYWRLO-BBRMVZONSA-N 2 0 304.413 2.636 20 0 DFADRP C[C@H]1CCC[N@H+](Cc2ccc(NC(=O)[C@@H]3CCC[NH+]3C)cc2)C1 ZINC000299501329 229158247 /nfs/dbraw/zinc/15/82/47/229158247.db2.gz IARNRNRNMPHNOI-YJBOKZPZSA-N 2 0 315.461 2.951 20 0 DFADRP CC(=O)N1CC[C@H]([NH2+][C@H](C)C2CC[NH+](C)CC2)c2ccccc21 ZINC000678607964 544702188 /nfs/dbraw/zinc/70/21/88/544702188.db2.gz BHBLJZKYWUIJMU-KDOFPFPSSA-N 2 0 315.461 2.804 20 0 DFADRP CC(=O)N1CC[C@@H]([NH2+][C@H](C)C2CC[NH+](C)CC2)c2ccccc21 ZINC000678607966 544702305 /nfs/dbraw/zinc/70/23/05/544702305.db2.gz BHBLJZKYWUIJMU-RDTXWAMCSA-N 2 0 315.461 2.804 20 0 DFADRP Cc1cccc(C)c1C[N@@H+](C)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000678722195 544712068 /nfs/dbraw/zinc/71/20/68/544712068.db2.gz YOCRCJWKYAXNET-IBGZPJMESA-N 2 0 315.505 2.904 20 0 DFADRP CO[C@@H]1CCC[C@@H]1C[NH2+]Cc1ccc(OCC[NH+](C)C)cc1 ZINC000678733789 544714145 /nfs/dbraw/zinc/71/41/45/544714145.db2.gz QNSXPOYRQPIXRI-SJLPKXTDSA-N 2 0 306.450 2.532 20 0 DFADRP C[NH+]1CCN(C(C)(C)C[NH2+][C@@H]2CCCc3cc(F)ccc32)CC1 ZINC000678765981 544716965 /nfs/dbraw/zinc/71/69/65/544716965.db2.gz CBIDYZJXSTWUPT-GOSISDBHSA-N 2 0 319.468 2.819 20 0 DFADRP CCO[C@H]1C[C@@H]([NH2+]CC2(O)CC[NH+](C(C)C)CC2)C12CCCC2 ZINC000678925678 544750300 /nfs/dbraw/zinc/75/03/00/544750300.db2.gz AQBDMVLSMZCJFX-SJORKVTESA-N 2 0 324.509 2.549 20 0 DFADRP C[C@H](C[NH2+][C@H]1CCN(C2CC[NH+](C)CC2)C1)c1ccc(F)cc1 ZINC000678957125 544756669 /nfs/dbraw/zinc/75/66/69/544756669.db2.gz SAAQDPVDHKAKOJ-QAPCUYQASA-N 2 0 319.468 2.687 20 0 DFADRP C[C@H]1C[C@@H](Nc2cccc(C[NH+]3CCC(O)CC3)c2)CC[N@@H+]1C ZINC000679053041 544775452 /nfs/dbraw/zinc/77/54/52/544775452.db2.gz XPZBIWLJSQHXKX-YJBOKZPZSA-N 2 0 317.477 2.538 20 0 DFADRP C[C@H]([NH2+][C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1)C1CC[NH+](C)CC1 ZINC000679723031 544905258 /nfs/dbraw/zinc/90/52/58/544905258.db2.gz JLWALJCNRBBGTP-XYJFISCASA-N 2 0 307.526 2.959 20 0 DFADRP CC(C)[NH+]1CCC(O)(C[NH2+]Cc2cccc3cnccc32)CC1 ZINC000679931886 544928492 /nfs/dbraw/zinc/92/84/92/544928492.db2.gz TVPZRJDPYNDSKF-UHFFFAOYSA-N 2 0 313.445 2.560 20 0 DFADRP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+](C)CCOC(C)(C)C ZINC000680329193 544990637 /nfs/dbraw/zinc/99/06/37/544990637.db2.gz PYYPEHDGWZOUNY-UHFFFAOYSA-N 2 0 302.422 2.823 20 0 DFADRP CCC[C@H]([NH2+]CC(C)(C)N1CC[NH+](C)CC1)c1cccnc1 ZINC000680459883 545008439 /nfs/dbraw/zinc/00/84/39/545008439.db2.gz AEPSPEVDFGTWIB-KRWDZBQOSA-N 2 0 304.482 2.538 20 0 DFADRP C[C@H]1C[NH+](CCCC[NH2+]Cc2ccc(F)cc2F)C[C@H](C)O1 ZINC000062253068 425900117 /nfs/dbraw/zinc/90/01/17/425900117.db2.gz MXSMDKVVEOOGEA-KBPBESRZSA-N 2 0 312.404 2.944 20 0 DFADRP C[C@@H]1C[N@@H+](CCCC[NH2+]Cc2ccc(F)c(F)c2)C[C@H](C)O1 ZINC000067453052 425910686 /nfs/dbraw/zinc/91/06/86/425910686.db2.gz AOPOLVNEQGYMJH-OKILXGFUSA-N 2 0 312.404 2.944 20 0 DFADRP CC[NH+]1CCN([C@@H](C)C[NH2+][C@@H](C)c2cc(F)ccc2F)CC1 ZINC000155583530 425921690 /nfs/dbraw/zinc/92/16/90/425921690.db2.gz KTMGFRCQZUAKFO-KBPBESRZSA-N 2 0 311.420 2.641 20 0 DFADRP CC[C@@H]([NH2+]C[C@@H](C)N1CC[NH+](CC)CC1)c1ccc(OC)cc1 ZINC000155636766 425922892 /nfs/dbraw/zinc/92/28/92/425922892.db2.gz ARHHFJLIBMJQJF-VQIMIIECSA-N 2 0 319.493 2.762 20 0 DFADRP CC[NH+]1CCN([C@H](C)C[NH2+][C@H](C)c2ccc(F)cc2F)CC1 ZINC000155609425 425923454 /nfs/dbraw/zinc/92/34/54/425923454.db2.gz FDCYVPQANKLEAT-ZIAGYGMSSA-N 2 0 311.420 2.641 20 0 DFADRP CC[NH+]1CCN([C@@H](C)C[NH2+][C@@H](C)c2cc3c(s2)CCC3)CC1 ZINC000155660066 425923981 /nfs/dbraw/zinc/92/39/81/425923981.db2.gz CDAPATUMPKPXDP-GJZGRUSLSA-N 2 0 321.534 2.913 20 0 DFADRP CC[NH+]1CCN([C@@H](C)C[NH2+][C@H]2CCc3ccc(C)cc32)CC1 ZINC000155694314 425924405 /nfs/dbraw/zinc/92/44/05/425924405.db2.gz OEFQKGRVDCBKPA-LPHOPBHVSA-N 2 0 301.478 2.598 20 0 DFADRP CC[NH+]1CCN([C@@H](C)C[NH2+][C@@H]2CCc3cc(Cl)ccc32)CC1 ZINC000155720934 425925698 /nfs/dbraw/zinc/92/56/98/425925698.db2.gz VUNADISEZLBGIO-KBXCAEBGSA-N 2 0 321.896 2.943 20 0 DFADRP C[C@@H](CNC(=O)c1cccc(C[NH+](C)C)c1)[NH+]1CCC(C)CC1 ZINC000155992151 425931532 /nfs/dbraw/zinc/93/15/32/425931532.db2.gz HHZWMTQXKHANFA-INIZCTEOSA-N 2 0 317.477 2.598 20 0 DFADRP CC(C)[NH+](CCNC(=O)c1ccc(C[NH+](C)C)cc1)C(C)C ZINC000069179398 425931762 /nfs/dbraw/zinc/93/17/62/425931762.db2.gz MLBVMPGRIZJYDE-UHFFFAOYSA-N 2 0 305.466 2.597 20 0 DFADRP c1cn(-c2ccc(CN(Cc3cccnc3)C3CC3)cn2)cn1 ZINC000124676022 425931814 /nfs/dbraw/zinc/93/18/14/425931814.db2.gz VMUGRHAFMSIPSC-UHFFFAOYSA-N 2 0 305.385 2.827 20 0 DFADRP CC[C@H](C(=O)NC[C@@H](c1ccccc1)[NH+](CC)CC)[NH+](C)C ZINC000124673167 425932489 /nfs/dbraw/zinc/93/24/89/425932489.db2.gz RYSQQWZDVDBHSP-SJORKVTESA-N 2 0 305.466 2.526 20 0 DFADRP CC[NH+]1CCN([C@@H](C)C[NH2+][C@H](C)c2csc(C(C)C)n2)CC1 ZINC000186245361 267809938 /nfs/dbraw/zinc/80/99/38/267809938.db2.gz YCZVFOBTRPGEEC-LSDHHAIUSA-N 2 0 324.538 2.943 20 0 DFADRP COC[C@@H]([NH2+]CCCCC[NH+]1CCCCC1)C1CCOCC1 ZINC000188007156 267886089 /nfs/dbraw/zinc/88/60/89/267886089.db2.gz GPJVJRMQSFOCQA-GOSISDBHSA-N 2 0 312.498 2.674 20 0 DFADRP C[C@@H]1CCC[C@@H]([NH+]2CCC([NH2+]CCOCC(F)F)CC2)C1 ZINC000188746345 267912437 /nfs/dbraw/zinc/91/24/37/267912437.db2.gz RVTFYMAWGSIZNF-UKRRQHHQSA-N 2 0 304.425 2.901 20 0 DFADRP CC(C)C[NH+]1CCN(C(=O)Nc2cccc(C[NH+](C)C)c2)CC1 ZINC000044291951 425856140 /nfs/dbraw/zinc/85/61/40/425856140.db2.gz UPPKSBKFXSIPBH-UHFFFAOYSA-N 2 0 318.465 2.554 20 0 DFADRP CC[NH+](CC)Cc1ccc(C(=O)NCC[N@@H+]2CCC[C@H](C)C2)o1 ZINC000046879645 425866686 /nfs/dbraw/zinc/86/66/86/425866686.db2.gz LTEABTJHQZHYBF-HNNXBMFYSA-N 2 0 321.465 2.583 20 0 DFADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+]C[C@H](C)c2ccccc2)CC1 ZINC000194415430 268102266 /nfs/dbraw/zinc/10/22/66/268102266.db2.gz GOCYYEJRRQMSAI-ROUUACIJSA-N 2 0 303.494 2.653 20 0 DFADRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+]CC[C@@H](C)c1ccccc1 ZINC000194716676 268113557 /nfs/dbraw/zinc/11/35/57/268113557.db2.gz SYZRXZHSGYHSMS-QZTJIDSGSA-N 2 0 303.494 2.796 20 0 DFADRP CC[C@H]1CCCCN1C(=O)C[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000047969358 425872353 /nfs/dbraw/zinc/87/23/53/425872353.db2.gz BGCHZSVDQRXXQT-SFHVURJKSA-N 2 0 321.509 2.585 20 0 DFADRP C[NH+](C)CCN(C(=O)C1CC[NH+](C2CC2)CC1)C1CCCCC1 ZINC000195386260 268133992 /nfs/dbraw/zinc/13/39/92/268133992.db2.gz CGCXFBLFWXXIKQ-UHFFFAOYSA-N 2 0 321.509 2.584 20 0 DFADRP Fc1ccc(Br)cc1C[NH2+]CC[C@@H]1CC[NH2+]C1 ZINC000259107867 268168706 /nfs/dbraw/zinc/16/87/06/268168706.db2.gz UYZVLCDVHPAXIL-JTQLQIEISA-N 2 0 301.203 2.677 20 0 DFADRP CC(C)[N@H+](C)Cc1cccc(CNC(=O)[C@@]2(C)CCC[NH2+]C2)c1 ZINC000236664364 268148179 /nfs/dbraw/zinc/14/81/79/268148179.db2.gz NIVNRONQVGGCJL-IBGZPJMESA-N 2 0 317.477 2.533 20 0 DFADRP CC(C)C[NH+]1CCC(NC(=O)CC[C@H]([NH3+])c2ccccc2)CC1 ZINC000236771047 268150751 /nfs/dbraw/zinc/15/07/51/268150751.db2.gz MROHZBQWCIRLMU-SFHVURJKSA-N 2 0 317.477 2.703 20 0 DFADRP Cc1c(Cl)cccc1NC(=O)[C@H](C)[NH+]1CCC(C[NH3+])CC1 ZINC000260366901 268168910 /nfs/dbraw/zinc/16/89/10/268168910.db2.gz CVMRBKDEAGLERE-LBPRGKRZSA-N 2 0 309.841 2.646 20 0 DFADRP O[C@@H]1CCC[C@H]1[NH+]1CCC([NH2+][C@H]2CCc3c2cccc3F)CC1 ZINC000271447712 268249335 /nfs/dbraw/zinc/24/93/35/268249335.db2.gz DDIFXZJTZPVZDY-IPMKNSEASA-N 2 0 318.436 2.780 20 0 DFADRP C[C@@H](C[S@@](C)=O)[N@H+](C)[C@@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000273719881 268255506 /nfs/dbraw/zinc/25/55/06/268255506.db2.gz LPEPVVWHKOCASB-UNMKOGDSSA-N 2 0 322.518 2.738 20 0 DFADRP CCCCNC(=O)[C@@H](C)[NH+]1CCC(C[NH+]2CCCCCC2)CC1 ZINC000048564642 425875805 /nfs/dbraw/zinc/87/58/05/425875805.db2.gz MRPGNBGIYWSSBN-QGZVFWFLSA-N 2 0 323.525 2.879 20 0 DFADRP CC(C)(C)[C@H](O)C[N@@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000310029098 268337136 /nfs/dbraw/zinc/33/71/36/268337136.db2.gz WUDQFZIGCKOWPM-IPMKNSEASA-N 2 0 316.489 2.847 20 0 DFADRP C[C@H](c1ccc(OC(F)(F)F)cc1)N1CCCO[C@@H](C[NH3+])C1 ZINC000313361458 268339666 /nfs/dbraw/zinc/33/96/66/268339666.db2.gz UJMMYTGJPKKXMB-RISCZKNCSA-N 2 0 318.339 2.696 20 0 DFADRP COc1ccc(Br)c(C[NH2+]CCc2cn(C)cn2)c1 ZINC000313264646 268339699 /nfs/dbraw/zinc/33/96/99/268339699.db2.gz NNAAXHNYDABIOV-UHFFFAOYSA-N 2 0 324.222 2.524 20 0 DFADRP Cn1cnc(CC[NH2+]Cc2ccc(F)cc2C(F)(F)F)c1 ZINC000313295639 268339722 /nfs/dbraw/zinc/33/97/22/268339722.db2.gz KQVVQHIHGBJWJR-UHFFFAOYSA-N 2 0 301.287 2.910 20 0 DFADRP COc1ccc(C[NH+]2CCC(CC[NH3+])CC2)cc1OC(F)F ZINC000315329749 268343141 /nfs/dbraw/zinc/34/31/41/268343141.db2.gz CZCOFACSYHGPLJ-UHFFFAOYSA-N 2 0 314.376 2.857 20 0 DFADRP Fc1ccc(-c2nc(C[N@H+]3CC[C@H]4C[NH2+]C[C@H]4CC3)co2)cc1 ZINC000323867066 268350335 /nfs/dbraw/zinc/35/03/35/268350335.db2.gz KSEDFMZDODRBSL-GASCZTMLSA-N 2 0 315.392 2.912 20 0 DFADRP COc1nccnc1C[NH2+]C1CCC([NH+]2CCC(C)CC2)CC1 ZINC000333279784 268388480 /nfs/dbraw/zinc/38/84/80/268388480.db2.gz JIAZQPGKKCCRQY-UHFFFAOYSA-N 2 0 318.465 2.618 20 0 DFADRP C[N@@H+](Cc1ccccc1)CC1CC[NH+](CCCCCO)CC1 ZINC000103227963 425939490 /nfs/dbraw/zinc/93/94/90/425939490.db2.gz BPVDQEVHESHVLO-UHFFFAOYSA-N 2 0 304.478 2.993 20 0 DFADRP CC[NH+]1CCN([C@H]2CC[N@H+](Cc3cc(C)cc(C)c3)C2)CC1 ZINC000107370466 425990094 /nfs/dbraw/zinc/99/00/94/425990094.db2.gz FLPLPVVMMHBVAB-IBGZPJMESA-N 2 0 301.478 2.515 20 0 DFADRP C[C@@H](C(=O)N(C)C1CCCCC1)N1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000158514604 425943639 /nfs/dbraw/zinc/94/36/39/425943639.db2.gz FNGOQWOTDOKCBX-LZLYRXPVSA-N 2 0 321.509 2.582 20 0 DFADRP COC(=O)c1oc([C@@H](C)N(C)C[C@@H]2CCC[N@H+](C)C2)cc1C ZINC000125211687 425959098 /nfs/dbraw/zinc/95/90/98/425959098.db2.gz WHGVVLLFMLUOSE-ZIAGYGMSSA-N 2 0 308.422 2.709 20 0 DFADRP CCc1cc(N2CC[NH+](C[C@@H](O)CC)CC2)c2ccccc2[nH+]1 ZINC000125268295 425962698 /nfs/dbraw/zinc/96/26/98/425962698.db2.gz LAPYEORUPTZOAT-INIZCTEOSA-N 2 0 313.445 2.690 20 0 DFADRP C[C@H](c1ccc(OC(F)(F)F)cc1)[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000109119954 426029243 /nfs/dbraw/zinc/02/92/43/426029243.db2.gz RJMLMTQIKJSAPW-RAIGVLPGSA-N 2 0 300.324 2.797 20 0 DFADRP c1ccc(C[NH+]2CCC(N[C@@H]3CC[N@@H+]4CCC[C@@H]4C3)CC2)cc1 ZINC000126668915 426030848 /nfs/dbraw/zinc/03/08/48/426030848.db2.gz ZBGNIQPCRAAUQE-WOJBJXKFSA-N 2 0 313.489 2.867 20 0 DFADRP CC[C@H](COC)[NH2+][C@@H](C)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000126755175 426035427 /nfs/dbraw/zinc/03/54/27/426035427.db2.gz LYYGCOWUERSDQZ-GOEBONIOSA-N 2 0 323.456 2.653 20 0 DFADRP C[C@@H](c1ccccc1)[NH+]1CCN(C[C@H]2CCCC[N@@H+]2C)CC1 ZINC000111230881 426039845 /nfs/dbraw/zinc/03/98/45/426039845.db2.gz WLZHCYOLPNTTRK-PKOBYXMFSA-N 2 0 301.478 2.850 20 0 DFADRP CC(=O)NC1CCC([NH2+][C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)CC1 ZINC000161857184 426042412 /nfs/dbraw/zinc/04/24/12/426042412.db2.gz HNXSGCRFZLOQMR-DVHLICQRSA-N 2 0 321.509 2.676 20 0 DFADRP CCC[C@@H](C(=O)NC[C@@H](c1ccc(C)o1)[NH+]1CCCC1)[NH+](C)C ZINC000161910278 426044954 /nfs/dbraw/zinc/04/49/54/426044954.db2.gz FQLTWHXOQHYVPL-HOTGVXAUSA-N 2 0 321.465 2.571 20 0 DFADRP CCC(CC)(CNC(=O)C[NH+](C)C)[NH2+][C@H](C)c1ccccc1 ZINC000111634586 426054431 /nfs/dbraw/zinc/05/44/31/426054431.db2.gz FDIKSXHMGVWJRR-OAHLLOKOSA-N 2 0 305.466 2.574 20 0 DFADRP C(C[NH+]1CCCC1)C[NH+]1CCC(OC[C@H]2CCCCO2)CC1 ZINC000162182288 426055692 /nfs/dbraw/zinc/05/56/92/426055692.db2.gz PPDJGVCVEJNTJH-GOSISDBHSA-N 2 0 310.482 2.522 20 0 DFADRP CC[N@@H+]1CC[C@@H]([NH2+]CCn2c(C)nc3ccccc32)[C@H](C)C1 ZINC000162235158 426057820 /nfs/dbraw/zinc/05/78/20/426057820.db2.gz CTPNXEXPQCUOKE-GDBMZVCRSA-N 2 0 300.450 2.665 20 0 DFADRP C[C@H](C[NH2+][C@@H]1c2cccc(F)c2CC[C@H]1C)N1CC[NH+](C)CC1 ZINC000127347696 426062930 /nfs/dbraw/zinc/06/29/30/426062930.db2.gz LGQMDDPQLJBXPB-CLCXKQKWSA-N 2 0 319.468 2.675 20 0 DFADRP C[C@@H](Cn1ccnc1)[NH2+]Cc1ccc(Br)c(F)c1 ZINC000127397896 426064940 /nfs/dbraw/zinc/06/49/40/426064940.db2.gz GLAYKZVNHLEIMV-JTQLQIEISA-N 2 0 312.186 2.963 20 0 DFADRP CC[NH+](CC)C[C@@H]1CCN(C(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC000075216526 426067966 /nfs/dbraw/zinc/06/79/66/426067966.db2.gz ZNJLBHPJLMIMAB-KRWDZBQOSA-N 2 0 317.477 2.552 20 0 DFADRP CC[NH+]1CCN(C[C@H](C)C[NH2+]C[C@H](C)c2ccc(F)cc2)CC1 ZINC000127873440 426091243 /nfs/dbraw/zinc/09/12/43/426091243.db2.gz ILFRLTRMXUXMQQ-SJORKVTESA-N 2 0 321.484 2.792 20 0 DFADRP CC(C)NC(=O)Nc1ccc(C[NH2+][C@H]2CC[N@H+](C)C[C@H]2C)cc1 ZINC000128022506 426098001 /nfs/dbraw/zinc/09/80/01/426098001.db2.gz FTNOUPSNVMSOQX-PBHICJAKSA-N 2 0 318.465 2.646 20 0 DFADRP c1cc2c(cc1CN[C@H]1CC[N@@H+]3CCC[C@@H]3C1)OCCCO2 ZINC000128100156 426101252 /nfs/dbraw/zinc/10/12/52/426101252.db2.gz RLHPSQYMIOINQZ-JKSUJKDBSA-N 2 0 302.418 2.564 20 0 DFADRP COc1ccc([C@H](C)[NH2+]CCCN2CCC[N@H+](C)CC2)c(F)c1 ZINC000128257039 426108775 /nfs/dbraw/zinc/10/87/75/426108775.db2.gz FNSDUYITTIJUIX-HNNXBMFYSA-N 2 0 323.456 2.513 20 0 DFADRP CC(C)[NH2+]C1CCN(c2cc(N3CCC[C@H](C)C3)ncn2)CC1 ZINC000113247322 426109549 /nfs/dbraw/zinc/10/95/49/426109549.db2.gz CYNHPYMFJHMWDZ-HNNXBMFYSA-N 2 0 317.481 2.680 20 0 DFADRP C[C@H](CCc1ccccc1F)[NH2+]CCCN1CCC[N@H+](C)CC1 ZINC000128401393 426115259 /nfs/dbraw/zinc/11/52/59/426115259.db2.gz IGFFCQLLNFCXPN-QGZVFWFLSA-N 2 0 321.484 2.764 20 0 DFADRP CC1CC[NH+](Cc2ccc(NC(=O)[C@@H]3CCC[NH2+]3)cc2)CC1 ZINC000164561384 426115661 /nfs/dbraw/zinc/11/56/61/426115661.db2.gz ZKTLPZOCHMLHDA-KRWDZBQOSA-N 2 0 301.434 2.609 20 0 DFADRP C[C@H]1CCCC[N@@H+]1Cc1ccc(NC(=O)[C@@H]2CCC[NH2+]C2)cc1 ZINC000164563754 426115821 /nfs/dbraw/zinc/11/58/21/426115821.db2.gz SMPOSSKKDUSWPX-DOTOQJQBSA-N 2 0 315.461 2.999 20 0 DFADRP C[C@H](CC(=O)NCCCC[N@@H+]1CCC[C@H](C)C1)C1CC[NH2+]CC1 ZINC000165118725 426120426 /nfs/dbraw/zinc/12/04/26/426120426.db2.gz HOTRSCRDRHJXLV-DLBZAZTESA-N 2 0 323.525 2.641 20 0 DFADRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@H]1CCCOc2ccccc21 ZINC000166015814 426125397 /nfs/dbraw/zinc/12/53/97/426125397.db2.gz OYDCOFAXYKVELU-WBVHZDCISA-N 2 0 306.450 2.847 20 0 DFADRP CC(C)[C@H]([NH3+])C(=O)NCc1ccccc1C[NH+]1CCCCCC1 ZINC000166676319 426129030 /nfs/dbraw/zinc/12/90/30/426129030.db2.gz NVVZUYBWHZJXQA-SFHVURJKSA-N 2 0 317.477 2.662 20 0 DFADRP C[C@@H](C(=O)N[C@H](C[NH+](C)C)c1ccccc1)[NH+]1CCCCCC1 ZINC000114227387 426129335 /nfs/dbraw/zinc/12/93/35/426129335.db2.gz LEOBCSVKPRILAK-FUHWJXTLSA-N 2 0 317.477 2.670 20 0 DFADRP Cc1ccc2c(c1)[C@H]([NH2+]CCN1CCC([NH+](C)C)CC1)CCC2 ZINC000166775439 426130297 /nfs/dbraw/zinc/13/02/97/426130297.db2.gz XLNVSSRPXIHPTH-HXUWFJFHSA-N 2 0 315.505 2.988 20 0 DFADRP C[C@H]1Cc2ccc(F)cc2[C@@H]1[NH2+]CCCN1CCC[N@H+](C)CC1 ZINC000128720062 426130510 /nfs/dbraw/zinc/13/05/10/426130510.db2.gz ATSNCFSQZYBDEL-HNAYVOBHSA-N 2 0 319.468 2.676 20 0 DFADRP C[C@H]([NH2+]C[C@]1(C)CCCO1)c1ccc(OCC[NH+](C)C)cc1 ZINC000167019604 426130751 /nfs/dbraw/zinc/13/07/51/426130751.db2.gz DHAALFZRNBRDDG-YJBOKZPZSA-N 2 0 306.450 2.847 20 0 DFADRP CC[N@H+](C)[C@H](C(=O)NC[C@@H](CC(C)C)[NH+](C)C)c1ccccc1 ZINC000114376797 426133625 /nfs/dbraw/zinc/13/36/25/426133625.db2.gz ITPYKKBDUUSGFV-MSOLQXFVSA-N 2 0 319.493 2.772 20 0 DFADRP CC(C)[NH+]1CCC(NC(=O)C[N@H+](C)C2CCC(C)(C)CC2)CC1 ZINC000127631975 426078107 /nfs/dbraw/zinc/07/81/07/426078107.db2.gz AIIKUCMFVGMRJK-UHFFFAOYSA-N 2 0 323.525 2.876 20 0 DFADRP C[C@H](C[NH2+][C@H](C)c1cnc2ccsc2c1)N1CC[NH+](C)CC1 ZINC000127695504 426079877 /nfs/dbraw/zinc/07/98/77/426079877.db2.gz XVEDKFYXIZMLEF-ZIAGYGMSSA-N 2 0 318.490 2.583 20 0 DFADRP O[C@@H](C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1)c1ccc(F)cc1 ZINC000134932875 426200794 /nfs/dbraw/zinc/20/07/94/426200794.db2.gz YKYQELFZTIEMET-LZQZEXGQSA-N 2 0 318.436 2.808 20 0 DFADRP CC[NH+]1CCN(CCC[NH2+][C@H]2CC[C@H](c3ccccc3)C2)CC1 ZINC000130482006 426159995 /nfs/dbraw/zinc/15/99/95/426159995.db2.gz YAROHGIQCMSESF-PMACEKPBSA-N 2 0 315.505 2.940 20 0 DFADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1[NH2+]C1CCN(c2ccccc2)CC1 ZINC000132758954 426171063 /nfs/dbraw/zinc/17/10/63/426171063.db2.gz VKSMLXDIROHMOO-GJYPPUQNSA-N 2 0 301.478 2.974 20 0 DFADRP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cc3ccccc3[nH]c2=O)[C@H](C)C1 ZINC000079461821 426192592 /nfs/dbraw/zinc/19/25/92/426192592.db2.gz TUKTVSVDGAUESZ-RDTXWAMCSA-N 2 0 313.445 2.690 20 0 DFADRP C[C@H]1CN(Cc2ccccn2)CC[C@@H]1[NH2+]CCc1cscn1 ZINC000134857727 426197160 /nfs/dbraw/zinc/19/71/60/426197160.db2.gz UJYRLQAPDUAESF-YOEHRIQHSA-N 2 0 316.474 2.581 20 0 DFADRP Cc1cccc(C[N@H+]2CCCC[C@H](N3CCN(C)CC3)C2)c1 ZINC000136066489 426234471 /nfs/dbraw/zinc/23/44/71/426234471.db2.gz ZKQZZPSDZYPJRT-IBGZPJMESA-N 2 0 301.478 2.597 20 0 DFADRP CC[NH+]1CCN([C@@H](C)CNc2cc[nH+]c3cc(F)ccc23)CC1 ZINC000084789279 426245126 /nfs/dbraw/zinc/24/51/26/426245126.db2.gz NYNLFDRXTPUEGS-AWEZNQCLSA-N 2 0 316.424 2.812 20 0 DFADRP Cn1c2ccccc2nc1C[NH+]1CCC(CC[NH+](C)C)CC1 ZINC000118868660 426250488 /nfs/dbraw/zinc/25/04/88/426250488.db2.gz VHZAFPJVFDYSRE-UHFFFAOYSA-N 2 0 300.450 2.737 20 0 DFADRP CCC[N@H+](CC)CCNC(=O)[C@H](c1ccccc1)[NH+](C)CC ZINC000174643011 426261033 /nfs/dbraw/zinc/26/10/33/426261033.db2.gz RBICWMPZGPFPQS-KRWDZBQOSA-N 2 0 305.466 2.528 20 0 DFADRP Cc1cccc2c1CC[C@@H]2[NH2+]C1CCN(CC[NH+](C)C)CC1 ZINC000150953037 426268762 /nfs/dbraw/zinc/26/87/62/426268762.db2.gz YQNOKYUMKLGYGN-IBGZPJMESA-N 2 0 301.478 2.598 20 0 DFADRP Cc1cccc2c1CC[C@H]2[NH2+]C1CCN(CC[NH+](C)C)CC1 ZINC000150953078 426269223 /nfs/dbraw/zinc/26/92/23/426269223.db2.gz YQNOKYUMKLGYGN-LJQANCHMSA-N 2 0 301.478 2.598 20 0 DFADRP CCC[N@H+](C)C[C@@H]1CCN(Cc2cccc3c2OCCO3)C1 ZINC000174953469 426270455 /nfs/dbraw/zinc/27/04/55/426270455.db2.gz DWTJHAGUAPTIFF-HNNXBMFYSA-N 2 0 304.434 2.622 20 0 DFADRP C[NH+](C)CCN1CCC([NH2+][C@@H]2CCCc3ccccc32)CC1 ZINC000150991496 426270913 /nfs/dbraw/zinc/27/09/13/426270913.db2.gz NBAPRYLIWPXMNU-LJQANCHMSA-N 2 0 301.478 2.680 20 0 DFADRP C[NH+](C)CCN1CCC([NH2+][C@H]2CCCOc3ccccc32)CC1 ZINC000150983152 426271437 /nfs/dbraw/zinc/27/14/37/426271437.db2.gz BKSQTVBNRXRBTI-SFHVURJKSA-N 2 0 317.477 2.516 20 0 DFADRP C[C@@H](NC[C@@H](O)C[NH+]1CCCCC1)c1cc2ccccc2o1 ZINC000151339552 426290745 /nfs/dbraw/zinc/29/07/45/426290745.db2.gz CKDJDGDAKMPFGC-GDBMZVCRSA-N 2 0 302.418 2.930 20 0 DFADRP CC[N@@H+]1CC[C@@H]([NH2+]CCCN(C)C(=O)OC(C)(C)C)[C@H](C)C1 ZINC000120254162 426308121 /nfs/dbraw/zinc/30/81/21/426308121.db2.gz WVQHQBKHTXNDMW-HUUCEWRRSA-N 2 0 313.486 2.563 20 0 DFADRP CN1CCC[C@H]1C[NH2+]Cc1c[nH]nc1-c1cccc(Cl)c1 ZINC000151719786 426309551 /nfs/dbraw/zinc/30/95/51/426309551.db2.gz DALJOFDQFFHSFW-HNNXBMFYSA-N 2 0 304.825 2.914 20 0 DFADRP C[N@H+](CCC[NH2+][C@H]1[C@@H]2CCO[C@@H]2C1(C)C)Cc1ccccc1 ZINC000151731509 426309717 /nfs/dbraw/zinc/30/97/17/426309717.db2.gz MRYDUGFUWCUMGJ-BZSNNMDCSA-N 2 0 302.462 2.912 20 0 DFADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1[NH2+]CCc1cc(F)cc2c1OCOC2 ZINC000120697131 426313198 /nfs/dbraw/zinc/31/31/98/426313198.db2.gz QYYAUMOBJUNJOP-IIYDPXPESA-N 2 0 322.424 2.553 20 0 DFADRP C[C@H]([NH2+]CC1CC[NH+](CCO)CC1)c1ccc(F)cc1Cl ZINC000151816126 426314267 /nfs/dbraw/zinc/31/42/67/426314267.db2.gz UBKFDKNWLLXGEP-LBPRGKRZSA-N 2 0 314.832 2.834 20 0 DFADRP Cc1cc(C)c([C@H](C)[NH2+]CC2CC[NH+](CCO)CC2)cc1C ZINC000151880021 426317345 /nfs/dbraw/zinc/31/73/45/426317345.db2.gz JNHKKGPFZSXIFC-KRWDZBQOSA-N 2 0 304.478 2.967 20 0 DFADRP CC(C)[C@@H](C)[NH2+]CCCN1CC[N@H+](C)C[C@@H]1c1ccccc1 ZINC000151892285 426317383 /nfs/dbraw/zinc/31/73/83/426317383.db2.gz DUOSIYUMEMNATO-IEBWSBKVSA-N 2 0 303.494 2.999 20 0 DFADRP COc1cccc(CN(C)C[C@@H]2CC[N@H+](C)C2)c1OC(C)C ZINC000120994288 426319839 /nfs/dbraw/zinc/31/98/39/426319839.db2.gz ADLPZASECWTFSN-OAHLLOKOSA-N 2 0 306.450 2.866 20 0 DFADRP Cc1cc([C@@H](C)[NH2+]C[C@H](C)CN2CC[NH+](C)CC2)cc(C)c1F ZINC000121084563 426321126 /nfs/dbraw/zinc/32/11/26/426321126.db2.gz VSWKLZYAJVSMMX-WMLDXEAASA-N 2 0 321.484 2.977 20 0 DFADRP CC[N@@H+]1CC[C@H]([NH+](C)CCC(=O)Nc2ccc(F)cc2)[C@H](C)C1 ZINC000175719273 426322864 /nfs/dbraw/zinc/32/28/64/426322864.db2.gz QREFSQKLAAAKAX-PBHICJAKSA-N 2 0 321.440 2.816 20 0 DFADRP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccc3c(c2)OCCO3)[C@H](C)C1 ZINC000175726607 426324394 /nfs/dbraw/zinc/32/43/94/426324394.db2.gz RHLVXLNGXLSEJV-GDBMZVCRSA-N 2 0 304.434 2.620 20 0 DFADRP COc1cc([C@@H](C)[NH2+]CC2CC[NH+](C)CC2)cc(OC)c1OC ZINC000121198921 426324670 /nfs/dbraw/zinc/32/46/70/426324670.db2.gz FVOHEMFXDKAIIZ-CYBMUJFWSA-N 2 0 322.449 2.705 20 0 DFADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1NCCC[NH+](C)Cc1ccccc1 ZINC000121233779 426327666 /nfs/dbraw/zinc/32/76/66/426327666.db2.gz QNYGDPVGWWAIBM-ZIFCJYIRSA-N 2 0 303.494 2.827 20 0 DFADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1NCCC[NH+](C)Cc1ccccc1 ZINC000121233636 426328087 /nfs/dbraw/zinc/32/80/87/426328087.db2.gz QNYGDPVGWWAIBM-ZHALLVOQSA-N 2 0 303.494 2.827 20 0 DFADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1NC1CC[NH+](Cc2ccccc2)CC1 ZINC000121234127 426328321 /nfs/dbraw/zinc/32/83/21/426328321.db2.gz WOVZUGXDNJEFTM-UWVAXJGDSA-N 2 0 315.505 2.969 20 0 DFADRP CCN(CC)C(=O)C[C@H](C)[NH2+]C[C@@H]1CCC[N@H+](CC(C)C)C1 ZINC000090585190 426329022 /nfs/dbraw/zinc/32/90/22/426329022.db2.gz NVRRXPYLBQOPSF-IRXDYDNUSA-N 2 0 311.514 2.591 20 0 DFADRP Cc1nc2ccccc2n1CC[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@@H]1C ZINC000121242331 426329472 /nfs/dbraw/zinc/32/94/72/426329472.db2.gz VXTUSAZGAZKAIE-JJRVBVJISA-N 2 0 300.450 2.663 20 0 DFADRP C[C@H]1C[C@H]([NH2+]CCc2nc(C(F)(F)F)cs2)CC[N@@H+]1C ZINC000152192838 426331084 /nfs/dbraw/zinc/33/10/84/426331084.db2.gz GEFFGBOPBIWHRA-VHSXEESVSA-N 2 0 307.385 2.777 20 0 DFADRP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]CCc1nc(C(F)(F)F)cs1 ZINC000152212507 426332251 /nfs/dbraw/zinc/33/22/51/426332251.db2.gz GALIRLNRTSAZFC-ZJUUUORDSA-N 2 0 307.385 2.634 20 0 DFADRP CC(C)C[C@H](CO)[NH2+][C@@H](C)c1ccc(OCC[NH+](C)C)cc1 ZINC000151183972 426282431 /nfs/dbraw/zinc/28/24/31/426282431.db2.gz PQZVCUXJTARPDQ-DOTOQJQBSA-N 2 0 308.466 2.685 20 0 DFADRP C[C@@H]([NH2+]CCSCCCO)c1ccc(-n2ccnc2)cc1 ZINC000151227583 426285520 /nfs/dbraw/zinc/28/55/20/426285520.db2.gz QNSBSYZFUIXJOS-CQSZACIVSA-N 2 0 305.447 2.639 20 0 DFADRP CC(C)[C@H](C[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1)NC(=O)OC(C)(C)C ZINC000122830194 426397183 /nfs/dbraw/zinc/39/71/83/426397183.db2.gz VZPLBBDPJQJQSF-KKUMJFAQSA-N 2 0 313.486 2.608 20 0 DFADRP C[C@@H]1CN(Cc2ccccc2)C[C@@H]1[NH2+][C@@H]1CCCC[C@@H]1CO ZINC000153790329 426406859 /nfs/dbraw/zinc/40/68/59/426406859.db2.gz LFWSJHCFELKHSA-OWYHZJEWSA-N 2 0 302.462 2.648 20 0 DFADRP CN(Cc1cc(Cl)c2c(c1)OCCO2)C[C@H]1CCC[N@H+](C)C1 ZINC000152378594 426341814 /nfs/dbraw/zinc/34/18/14/426341814.db2.gz PBCQJWULQIKSLQ-ZDUSSCGKSA-N 2 0 324.852 2.885 20 0 DFADRP C[C@H]1C[N@H+](C)CC[C@@H]1[NH2+]C[C@@H]1CCN(c2ccc(F)cc2)C1 ZINC000152786912 426354041 /nfs/dbraw/zinc/35/40/41/426354041.db2.gz YBSXRQJSDVCFQR-MPGHIAIKSA-N 2 0 305.441 2.582 20 0 DFADRP COCC[N@H+](C)CCCC1CC[NH+](Cc2c(C)noc2C)CC1 ZINC000122196741 426363723 /nfs/dbraw/zinc/36/37/23/426363723.db2.gz OBGRUCZQNGXGAG-UHFFFAOYSA-N 2 0 323.481 2.862 20 0 DFADRP CCC[C@@H](C(=O)NCc1ccc(C[NH+]2CCCC2)cc1)[NH+](C)C ZINC000122322893 426369276 /nfs/dbraw/zinc/36/92/76/426369276.db2.gz YNFJQBUXWWSMFH-SFHVURJKSA-N 2 0 317.477 2.629 20 0 DFADRP Cc1ccc(C[NH+]2CCC(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)cn1 ZINC000122535190 426380081 /nfs/dbraw/zinc/38/00/81/426380081.db2.gz RIPWBYSOKKRYID-CALCHBBNSA-N 2 0 317.477 2.711 20 0 DFADRP CC(=O)Oc1ccc(C[NH+]2CCC(C[NH+]3CCCC3)CC2)cc1 ZINC000123069206 426412801 /nfs/dbraw/zinc/41/28/01/426412801.db2.gz BNVVCGIBRMDLDA-UHFFFAOYSA-N 2 0 316.445 2.920 20 0 DFADRP Cn1cccc1[C@@H]1CCC[N@@H+]1Cc1ccc(-n2ccnc2)nc1 ZINC000176987615 426431551 /nfs/dbraw/zinc/43/15/51/426431551.db2.gz IBXUWNMWKWWFJH-KRWDZBQOSA-N 2 0 307.401 2.943 20 0 DFADRP CC[NH+]1CCN(CCC[NH2+][C@H](CC(C)C)c2ccccn2)CC1 ZINC000154227036 426431547 /nfs/dbraw/zinc/43/15/47/426431547.db2.gz GRMBAOBIEBYMKH-LJQANCHMSA-N 2 0 318.509 2.786 20 0 DFADRP CC[NH+]1CCN(CCC[NH2+][C@H](C)c2ccc(C)c(C)c2)CC1 ZINC000154262153 426433116 /nfs/dbraw/zinc/43/31/16/426433116.db2.gz NSGTWKDOMFAMRL-GOSISDBHSA-N 2 0 303.494 2.982 20 0 DFADRP COC(=O)c1coc(C[NH+]2CCC(CCC[NH+](C)C)CC2)c1 ZINC000123561222 426440732 /nfs/dbraw/zinc/44/07/32/426440732.db2.gz UZPLKACPGHUEFI-UHFFFAOYSA-N 2 0 308.422 2.620 20 0 DFADRP CCN1CC[NH+](CCCC[NH2+][C@H]2CCc3cc(F)ccc32)CC1 ZINC000154449522 426441755 /nfs/dbraw/zinc/44/17/55/426441755.db2.gz FWOJTNVCBGNZNO-IBGZPJMESA-N 2 0 319.468 2.820 20 0 DFADRP C[C@H](O)C[N@H+](Cc1ccc(-n2ccnc2)nc1)C1CCCCC1 ZINC000177103950 426443716 /nfs/dbraw/zinc/44/37/16/426443716.db2.gz MBMMOSOTPJCJOF-HNNXBMFYSA-N 2 0 314.433 2.783 20 0 DFADRP C[NH+](C)CC1CC[NH+](CCC(=O)Nc2cccc(Cl)c2)CC1 ZINC000341174082 269052734 /nfs/dbraw/zinc/05/27/34/269052734.db2.gz FLMVTTAIYKHYJK-UHFFFAOYSA-N 2 0 323.868 2.942 20 0 DFADRP C[C@@H](CCc1ccccc1)[NH2+]CCCN1CCC[N@H+](C)CC1 ZINC000177302850 426465447 /nfs/dbraw/zinc/46/54/47/426465447.db2.gz WEDBYGGZPJOTQZ-SFHVURJKSA-N 2 0 303.494 2.625 20 0 DFADRP C[C@@H]([NH2+]CC1CC[NH+](CCN(C)C)CC1)c1ccccc1F ZINC000124315959 426479797 /nfs/dbraw/zinc/47/97/97/426479797.db2.gz BKAVPYNXNXUVDI-OAHLLOKOSA-N 2 0 307.457 2.750 20 0 DFADRP CN(C)CC[NH+]1CCC(C[NH2+][C@@H]2CCc3ccccc32)CC1 ZINC000124369154 426481323 /nfs/dbraw/zinc/48/13/23/426481323.db2.gz GCJSPLAYLKXODP-LJQANCHMSA-N 2 0 301.478 2.537 20 0 DFADRP CC[NH+](CC)CCN[C@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272365336 426507358 /nfs/dbraw/zinc/50/73/58/426507358.db2.gz OBBSNNPJHVJEHH-MJGOQNOKSA-N 2 0 303.494 2.828 20 0 DFADRP C[C@@H](CCN1CC[NH+](C)CC1)[NH2+][C@H]1CCCc2ccccc21 ZINC000186578913 426554935 /nfs/dbraw/zinc/55/49/35/426554935.db2.gz GFYBTYQELCGLLK-LPHOPBHVSA-N 2 0 301.478 2.680 20 0 DFADRP CC(C)C[C@H](CNC(=O)[C@@H]1CCC[NH2+]1)[NH2+][C@H](C)c1ccccc1 ZINC000272462502 426531176 /nfs/dbraw/zinc/53/11/76/426531176.db2.gz OQFRNASZTRIBCX-NXHRZFHOSA-N 2 0 317.477 2.620 20 0 DFADRP CC(C)C[C@H](CNC(=O)[C@H]1CCC[NH2+]1)[NH2+][C@@H](C)c1ccccc1 ZINC000272462489 426531757 /nfs/dbraw/zinc/53/17/57/426531757.db2.gz OQFRNASZTRIBCX-CGTJXYLNSA-N 2 0 317.477 2.620 20 0 DFADRP Cc1cccc(NC[C@H]2CC[N@H+](CCOCC(F)(F)F)C2)[nH+]1 ZINC000195516325 426533911 /nfs/dbraw/zinc/53/39/11/426533911.db2.gz RUWNYWQLDYBSQI-CYBMUJFWSA-N 2 0 317.355 2.703 20 0 DFADRP C[C@@H]([NH2+]CC1(O)CCCC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272554930 426555320 /nfs/dbraw/zinc/55/53/20/426555320.db2.gz TVCZRAVREMHHHC-SJLPKXTDSA-N 2 0 302.462 2.792 20 0 DFADRP C[C@H]([NH2+][C@@H]1CCCC[C@@H]1O)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272537247 426551638 /nfs/dbraw/zinc/55/16/38/426551638.db2.gz RLMUSIKGXREWJD-AITUJVMLSA-N 2 0 302.462 2.790 20 0 DFADRP Cc1cc(C[NH+]2CCC(CC[NH+]3C[C@H](C)O[C@@H](C)C3)CC2)on1 ZINC000177487711 426489032 /nfs/dbraw/zinc/48/90/32/426489032.db2.gz LYVQTHZPJRVLHQ-HOTGVXAUSA-N 2 0 321.465 2.694 20 0 DFADRP Cc1ccc(C)c2c1CCC[C@H]2[NH2+]C[C@H](C)N1CC[NH+](C)CC1 ZINC000186154589 426489143 /nfs/dbraw/zinc/48/91/43/426489143.db2.gz VLUBOBVXRAZQHN-PKOBYXMFSA-N 2 0 315.505 2.906 20 0 DFADRP CCSCC[NH+]1CCC(CC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000177508111 426490931 /nfs/dbraw/zinc/49/09/31/426490931.db2.gz NXLWLYRZXAIVMR-HZPDHXFCSA-N 2 0 314.539 2.951 20 0 DFADRP C[C@@H]1C[C@H](NC[C@@H]2CC[NH+](Cc3ccccc3)C2)CC[N@@H+]1C ZINC000195135920 426501671 /nfs/dbraw/zinc/50/16/71/426501671.db2.gz XQICSZKVXIJUAK-NZSAHSFTSA-N 2 0 301.478 2.581 20 0 DFADRP CCO[C@@H]1C[C@H]([NH2+]C[C@@H]2CCC[N@@H+](C(C)C)C2)C12CCOCC2 ZINC000186321559 426503634 /nfs/dbraw/zinc/50/36/34/426503634.db2.gz TXBQMSOKKWMWIX-OKZBNKHCSA-N 2 0 324.509 2.671 20 0 DFADRP C[C@H]([NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]12)c1cn[nH]c1 ZINC000272602691 426569910 /nfs/dbraw/zinc/56/99/10/426569910.db2.gz URUICGMQZVVDJR-RGIVZKHGSA-N 2 0 310.445 2.971 20 0 DFADRP CC(C)[C@](C)(O)C[NH2+][C@H](C)c1cccc(OCC[NH+](C)C)c1 ZINC000178116581 426574454 /nfs/dbraw/zinc/57/44/54/426574454.db2.gz OYQZLRNZCIGZMT-CRAIPNDOSA-N 2 0 308.466 2.685 20 0 DFADRP c1cn(-c2ccc(-c3noc([C@H]4CCCN4C4CC4)n3)cn2)cn1 ZINC000289061237 426575368 /nfs/dbraw/zinc/57/53/68/426575368.db2.gz RYKTWPGJIDUOKF-CQSZACIVSA-N 2 0 322.372 2.617 20 0 DFADRP C[C@@H]1C[C@@H]([NH2+]CCCN2CCC[N@H+](C)CC2)c2ccccc21 ZINC000289102573 426584073 /nfs/dbraw/zinc/58/40/73/426584073.db2.gz CFYAMWIOEXRXSI-VQIMIIECSA-N 2 0 301.478 2.852 20 0 DFADRP C[C@H](C[NH2+][C@@H](C)c1ccc([S@](C)=O)cc1)C[NH+]1CCCC1 ZINC000178244032 426592493 /nfs/dbraw/zinc/59/24/93/426592493.db2.gz NQKGOMCZVJBRLD-WIEQDCTASA-N 2 0 308.491 2.807 20 0 DFADRP COc1ccc2[nH]c3c(c2c1)C[C@@H]([NH2+][C@H](C)CC[NH+](C)C)CC3 ZINC000273111129 426595216 /nfs/dbraw/zinc/59/52/16/426595216.db2.gz WIVXYELOPZIQAE-KGLIPLIRSA-N 2 0 315.461 2.964 20 0 DFADRP C[C@@H](NC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1)C(C)(C)C[NH+](C)C ZINC000178278506 426597406 /nfs/dbraw/zinc/59/74/06/426597406.db2.gz ZUKWTLKPHMMNBT-CVEARBPZSA-N 2 0 323.525 2.734 20 0 DFADRP Cc1cc(N2CCC([N@H+](C)CCCO)CC2)c2ccccc2[nH+]1 ZINC000265222932 426599442 /nfs/dbraw/zinc/59/94/42/426599442.db2.gz OUWMXKQLWJNKRE-UHFFFAOYSA-N 2 0 313.445 2.826 20 0 DFADRP CC[C@@H](Cc1ccccc1)[NH2+][C@H](C)CCN1CC[NH+](C)CC1 ZINC000186589953 426559792 /nfs/dbraw/zinc/55/97/92/426559792.db2.gz HCMDMUWKUJSYJC-MJGOQNOKSA-N 2 0 303.494 2.623 20 0 DFADRP C[C@@H](CCN1CC[NH+](C)CC1)[NH2+][C@H]1CCSc2ccccc21 ZINC000186602048 426561475 /nfs/dbraw/zinc/56/14/75/426561475.db2.gz IEXFYSLNGZAGOI-RDJZCZTQSA-N 2 0 319.518 2.839 20 0 DFADRP CC(C)[C@@H](CO)[NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]12 ZINC000272574355 426562498 /nfs/dbraw/zinc/56/24/98/426562498.db2.gz PNAPAPPLOAJKHT-NCXUSEDFSA-N 2 0 302.462 2.504 20 0 DFADRP CCC[NH+]1CCC([N@H+](C)CCc2ccccc2C(=O)OC)CC1 ZINC000187119118 426631423 /nfs/dbraw/zinc/63/14/23/426631423.db2.gz OXHRDAUGZOKCCY-UHFFFAOYSA-N 2 0 318.461 2.822 20 0 DFADRP CCC(C)(C)[NH2+][C@@H](C)C(=O)N(CC[NH+](C)C)Cc1ccc(C)o1 ZINC000273269810 426632137 /nfs/dbraw/zinc/63/21/37/426632137.db2.gz UYZQODWYRIVPRS-HNNXBMFYSA-N 2 0 323.481 2.645 20 0 DFADRP CN(CCC[N@H+](C)Cc1ccc2ccccc2n1)CC[NH+](C)C ZINC000289363384 426635747 /nfs/dbraw/zinc/63/57/47/426635747.db2.gz HODHUUADEVQHEO-UHFFFAOYSA-N 2 0 314.477 2.550 20 0 DFADRP CCC(C)(C)[NH2+][C@@H](C)C(=O)NC[C@H](c1cccc(F)c1)[NH+](C)C ZINC000273314768 426640546 /nfs/dbraw/zinc/64/05/46/426640546.db2.gz XRQJLBHDCSNYPL-XJKSGUPXSA-N 2 0 323.456 2.711 20 0 DFADRP C[N@H+](CCCN1CC[NH+](C)CC1)Cc1cc2ccccc2s1 ZINC000273331426 426645676 /nfs/dbraw/zinc/64/56/76/426645676.db2.gz RFQVEIVPTDLSHW-UHFFFAOYSA-N 2 0 317.502 2.971 20 0 DFADRP O=C(C[NH+]1CCC(c2ncc[nH]2)CC1)NCCC1=CCCCC1 ZINC000265555178 426653503 /nfs/dbraw/zinc/65/35/03/426653503.db2.gz ZKEXVILMJIJPTC-UHFFFAOYSA-N 2 0 316.449 2.596 20 0 DFADRP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)[C@@H](C)[C@@H]([NH3+])c1ccccc1 ZINC000236910943 426686893 /nfs/dbraw/zinc/68/68/93/426686893.db2.gz XMZQTLRIQHYXSU-CGTJXYLNSA-N 2 0 317.477 2.703 20 0 DFADRP C[N@@H+]1CCCN(CCC[NH2+][C@H](c2cccnc2)C2CCC2)CC1 ZINC000280820485 426663449 /nfs/dbraw/zinc/66/34/49/426663449.db2.gz KAARZWNUMPHQIY-IBGZPJMESA-N 2 0 316.493 2.540 20 0 DFADRP COC[C@H]([NH2+]CC1CC[NH+](Cc2ccccc2)CC1)C1CC1 ZINC000178635987 426668305 /nfs/dbraw/zinc/66/83/05/426668305.db2.gz RBXYJTJKTSJSJT-IBGZPJMESA-N 2 0 302.462 2.913 20 0 DFADRP CC(C)[C@H]([NH3+])CCN(C)C(=O)c1cccc(C[NH+]2CCCC2)c1 ZINC000236636760 426668860 /nfs/dbraw/zinc/66/88/60/426668860.db2.gz FMIJJUZNSQLZEY-GOSISDBHSA-N 2 0 317.477 2.728 20 0 DFADRP CC[C@H]1[NH2+]CC[C@@H]1C(=O)NCc1cccc(C[N@H+](C)C(C)C)c1 ZINC000289864232 426674595 /nfs/dbraw/zinc/67/45/95/426674595.db2.gz GRACLFODBRHARE-ZWKOTPCHSA-N 2 0 317.477 2.531 20 0 DFADRP C[C@@H](CC(=O)NCCCC[NH+]1CCC(C)CC1)C1CC[NH2+]CC1 ZINC000236696517 426677084 /nfs/dbraw/zinc/67/70/84/426677084.db2.gz RVLMNBWYUYTLBO-KRWDZBQOSA-N 2 0 323.525 2.641 20 0 DFADRP C[C@@H](C[NH2+]C[C@H](O)C[NH+]1CCC(C)CC1)c1ccc(F)cc1 ZINC000236707216 426678907 /nfs/dbraw/zinc/67/89/07/426678907.db2.gz MTCPDAVQBAPUGD-YJBOKZPZSA-N 2 0 308.441 2.612 20 0 DFADRP CC[C@H](COC)[NH2+]CCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000178699168 426679480 /nfs/dbraw/zinc/67/94/80/426679480.db2.gz VVANBWDPGCNSSE-GOSISDBHSA-N 2 0 319.493 2.603 20 0 DFADRP CC(C)[C@H]([NH3+])C(=O)NC[C@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC000236754580 426685360 /nfs/dbraw/zinc/68/53/60/426685360.db2.gz QPWMSYQFANWYFQ-CVEARBPZSA-N 2 0 323.868 2.576 20 0 DFADRP CC(C)[C@@H](C[NH2+]C[C@H](C)N1CC[NH+](C)CC1)c1ccccc1 ZINC000280916562 426685746 /nfs/dbraw/zinc/68/57/46/426685746.db2.gz PKNLBYNYRRVZHQ-PKOBYXMFSA-N 2 0 303.494 2.652 20 0 DFADRP CCC[N@H+](CC)Cc1ccc(C(=O)N2CCC[NH+](C)CC2)cc1 ZINC000265374471 426626526 /nfs/dbraw/zinc/62/65/26/426626526.db2.gz ZLMJUOWLMNALTP-UHFFFAOYSA-N 2 0 317.477 2.696 20 0 DFADRP CCC(C)(C)[NH2+][C@@H](C)C(=O)NCCn1c(C)nc2ccccc21 ZINC000273264027 426629662 /nfs/dbraw/zinc/62/96/62/426629662.db2.gz NNIZVFBJSHAZBK-ZDUSSCGKSA-N 2 0 316.449 2.628 20 0 DFADRP CC(C)[NH+]1CCC([N@H+](C)C[C@@H](O)CCc2ccccc2)CC1 ZINC000273260699 426630399 /nfs/dbraw/zinc/63/03/99/426630399.db2.gz XXAAHVRPGCUSFD-IBGZPJMESA-N 2 0 304.478 2.785 20 0 DFADRP Cc1ccc(C[NH+](C)C)cc1NC(=O)[C@H]1C[C@H]2CCCC[C@@H]2[NH2+]1 ZINC000178829442 426703446 /nfs/dbraw/zinc/70/34/46/426703446.db2.gz AQGHLZZXSGASOA-SOLBZPMBSA-N 2 0 315.461 2.916 20 0 DFADRP [NH3+]Cc1ccc(C(=O)NC2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000237961624 426698316 /nfs/dbraw/zinc/69/83/16/426698316.db2.gz LVZSOGAQMVJQHE-UHFFFAOYSA-N 2 0 323.440 2.540 20 0 DFADRP C[C@H](O)C[NH+]1CCC(C[N@H+](C)[C@H]2C[C@@H]2c2ccccc2)CC1 ZINC000274520054 426785216 /nfs/dbraw/zinc/78/52/16/426785216.db2.gz NTZLKYGPKLTLAN-IPELMVKDSA-N 2 0 302.462 2.567 20 0 DFADRP CC[C@H](C[NH2+][C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21)OC ZINC000290245502 426724291 /nfs/dbraw/zinc/72/42/91/426724291.db2.gz SWSUYVCDZLMQCQ-ZSYWTGECSA-N 2 0 302.462 2.912 20 0 DFADRP CC[C@H](C[NH2+][C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21)OC ZINC000290245500 426724998 /nfs/dbraw/zinc/72/49/98/426724998.db2.gz SWSUYVCDZLMQCQ-WJFTUGDTSA-N 2 0 302.462 2.912 20 0 DFADRP C[C@@H]1C[C@@H]([N@H+](C)CC2CC[NH2+]CC2)CCN1Cc1ccccc1 ZINC000178981117 426729229 /nfs/dbraw/zinc/72/92/29/426729229.db2.gz LEVKKLICUPPOLG-XLIONFOSSA-N 2 0 315.505 2.971 20 0 DFADRP C[C@@H]1C[C@H]([N@H+](C)CC2CC[NH2+]CC2)CCN1Cc1ccccc1 ZINC000178981106 426729568 /nfs/dbraw/zinc/72/95/68/426729568.db2.gz LEVKKLICUPPOLG-YLJYHZDGSA-N 2 0 315.505 2.971 20 0 DFADRP CC[N@H+](Cc1ccc(C(=O)N2CC[C@H](C[NH2+]C)C2)cc1)C(C)C ZINC000178991447 426731875 /nfs/dbraw/zinc/73/18/75/426731875.db2.gz TVVLHKRWKUCODJ-QGZVFWFLSA-N 2 0 317.477 2.598 20 0 DFADRP CC[N@@H+]1CC[C@H]([NH+](C)CCOc2ccccc2OC)[C@@H](C)C1 ZINC000245423358 426737706 /nfs/dbraw/zinc/73/77/06/426737706.db2.gz JJFLKQGPKYZPDT-HOTGVXAUSA-N 2 0 306.450 2.736 20 0 DFADRP COc1cccc(CN2CCC[C@@H]3C[N@H+](C)CC[C@H]32)c1OC ZINC000290340633 426745064 /nfs/dbraw/zinc/74/50/64/426745064.db2.gz FKPGSFVRAVJYQG-GDBMZVCRSA-N 2 0 304.434 2.620 20 0 DFADRP CCN1CC[NH+](CCCC[NH2+][C@@H](C)c2ccc(Cl)nc2)CC1 ZINC000179104497 426752245 /nfs/dbraw/zinc/75/22/45/426752245.db2.gz JHBVOKFXGLXLLS-HNNXBMFYSA-N 2 0 324.900 2.803 20 0 DFADRP CC[C@@H](CCO)[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000245708973 426765304 /nfs/dbraw/zinc/76/53/04/426765304.db2.gz MZDPGYLUUBRRIW-CADBVGFASA-N 2 0 302.462 2.933 20 0 DFADRP Cc1cc(Cl)ccc1C[NH2+][C@H](C)CCN1CC[NH+](C)CC1 ZINC000274623614 426805181 /nfs/dbraw/zinc/80/51/81/426805181.db2.gz XFPQEOANYZUFFX-OAHLLOKOSA-N 2 0 309.885 2.764 20 0 DFADRP CCC(C)(C)[NH2+][C@@H](C)C(=O)NC[C@@H](c1ccsc1)[NH+](C)C ZINC000274649730 426811037 /nfs/dbraw/zinc/81/10/37/426811037.db2.gz GELYTESNYXUDND-JSGCOSHPSA-N 2 0 311.495 2.634 20 0 DFADRP C[C@@H]([NH2+]CC1=CC[N@H+](C)CC1)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000274750871 426829610 /nfs/dbraw/zinc/82/96/10/426829610.db2.gz HKHWQZYUMGCHFP-XLIONFOSSA-N 3 0 313.489 2.749 20 0 DFADRP C[C@H]1Cc2ccccc2[C@@H]1[NH2+]CCN1CC[N@H+](C)C(C)(C)C1 ZINC000282124905 426834416 /nfs/dbraw/zinc/83/44/16/426834416.db2.gz AZKJWPGZWOBZRL-MAUKXSAKSA-N 2 0 301.478 2.536 20 0 DFADRP COC(C)(C)C[NH2+][C@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000180170643 426840187 /nfs/dbraw/zinc/84/01/87/426840187.db2.gz VBDSXHNZKJDUCY-BZSNNMDCSA-N 2 0 302.462 2.912 20 0 DFADRP CCc1ccc([C@@H](C)[NH2+]CCN2CC[N@H+](C)C(C)(C)C2)cc1 ZINC000282145473 426840288 /nfs/dbraw/zinc/84/02/88/426840288.db2.gz CJBVZEHLDOCCRN-MRXNPFEDSA-N 2 0 303.494 2.926 20 0 DFADRP Cc1cc([C@@H](C)[NH2+]CC2CCN(c3cc[nH+]cc3)CC2)nn1C ZINC000282155437 426841155 /nfs/dbraw/zinc/84/11/55/426841155.db2.gz LKWDQDADKNQJGD-OAHLLOKOSA-N 2 0 313.449 2.691 20 0 DFADRP COCC[C@H]1CCC[C@H]1[NH2+]C1CCN(Cc2ccncc2)CC1 ZINC000282189649 426849560 /nfs/dbraw/zinc/84/95/60/426849560.db2.gz NFNOXKGCNUFJNL-IEBWSBKVSA-N 2 0 317.477 2.841 20 0 DFADRP C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2CCCc2ccc3c(c2)CCO3)C1 ZINC000290563547 426793198 /nfs/dbraw/zinc/79/31/98/426793198.db2.gz SLZXGORMCGBFLE-MOPGFXCFSA-N 2 0 314.473 2.970 20 0 DFADRP Cc1c[nH]nc1CN1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000291573790 426916293 /nfs/dbraw/zinc/91/62/93/426916293.db2.gz OBQBFWXMWHDLIR-IBGZPJMESA-N 2 0 310.445 2.816 20 0 DFADRP CC[N@@H+]1CC[C@H]([NH2+]CCc2ccc(-n3cccn3)cc2)[C@@H](C)C1 ZINC000247224811 426916792 /nfs/dbraw/zinc/91/67/92/426916792.db2.gz XWVLVHQHKVBVLR-LPHOPBHVSA-N 2 0 312.461 2.735 20 0 DFADRP CC[C@](C)(O)C[N@@H+]1C[C@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000310024969 426919252 /nfs/dbraw/zinc/91/92/52/426919252.db2.gz UFRHMTBWXGVTOG-QYZOEREBSA-N 2 0 302.462 2.601 20 0 DFADRP c1ccc(C[NH+]2CC[C@@H]3C[N@@H+](C[C@@H]4CCCO4)C[C@H]3C2)cc1 ZINC000309954998 426920258 /nfs/dbraw/zinc/92/02/58/426920258.db2.gz IEZZAPMJLTYDHO-QRVBRYPASA-N 2 0 300.446 2.619 20 0 DFADRP Cn1cc([C@H]([NH2+]CC2CC[NH+](C)CC2)c2cccc(F)c2)cn1 ZINC000180459438 426860869 /nfs/dbraw/zinc/86/08/69/426860869.db2.gz QLPIULVDGPVTEB-GOSISDBHSA-N 2 0 316.424 2.580 20 0 DFADRP C[N@@H+]1CCN(CC[NH2+][C@H]2CCCc3cc(F)ccc32)CC1(C)C ZINC000282267382 426866958 /nfs/dbraw/zinc/86/69/58/426866958.db2.gz KIAUKCVFRJCNLI-SFHVURJKSA-N 2 0 319.468 2.819 20 0 DFADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]C[C@H]1CCN(c2ccccc2)C1 ZINC000246809997 426867264 /nfs/dbraw/zinc/86/72/64/426867264.db2.gz AOGDSUXIGWAICU-YWTNHNAXSA-N 2 0 301.478 2.831 20 0 DFADRP C[C@H](CC[NH2+][C@@H]1C[C@@H](C)[N@H+](C)C[C@H]1C)NC(=O)OC(C)(C)C ZINC000180521166 426867265 /nfs/dbraw/zinc/86/72/65/426867265.db2.gz PKNLMTQTHUPQPB-KBUPBQIOSA-N 2 0 313.486 2.608 20 0 DFADRP C[C@H]([NH2+][C@@H]1CCCC[C@@H]1CO)c1ccc(OCC[NH+](C)C)cc1 ZINC000305106343 426879493 /nfs/dbraw/zinc/87/94/93/426879493.db2.gz DDENMNBBNKOYIB-KVSKMBFKSA-N 2 0 320.477 2.829 20 0 DFADRP C[C@@H]1Cc2ccccc2[C@H]1[NH2+]CCCC[N@@H+]1CCC[C@@H]1CO ZINC000305125450 426882464 /nfs/dbraw/zinc/88/24/64/426882464.db2.gz KZZOEMBZSFYWSI-SUMDDJOVSA-N 2 0 302.462 2.746 20 0 DFADRP Cc1nc2c(s1)[C@H]([NH2+]CCCC[N@@H+]1CCC[C@@H]1CO)CCC2 ZINC000305135985 426884484 /nfs/dbraw/zinc/88/44/84/426884484.db2.gz ONAUVGSBULDPDG-HUUCEWRRSA-N 2 0 323.506 2.655 20 0 DFADRP CC[C@@H](C(=O)Nc1ccccc1CC[NH+](C)C)[NH+](CC)CC ZINC000275643848 426887284 /nfs/dbraw/zinc/88/72/84/426887284.db2.gz MAJQGKOHWHOPAN-KRWDZBQOSA-N 2 0 305.466 2.850 20 0 DFADRP Cc1cc(C)cc([C@@H](C)[NH2+]CCN2CC[N@H+](C)C(C)(C)C2)c1 ZINC000282350002 426888485 /nfs/dbraw/zinc/88/84/85/426888485.db2.gz PEUPBKCLVRRTHC-QGZVFWFLSA-N 2 0 303.494 2.980 20 0 DFADRP OC[C@H]1CCC[N@@H+]1CCCC[NH2+][C@H]1CCCc2sccc21 ZINC000305164724 426889404 /nfs/dbraw/zinc/88/94/04/426889404.db2.gz XYRCJSRUGYKQGB-ZBFHGGJFSA-N 2 0 308.491 2.952 20 0 DFADRP C[C@H]1CSC[C@@H]1[NH2+]CCc1ccc(OCC[NH+](C)C)cc1 ZINC000295299591 426895871 /nfs/dbraw/zinc/89/58/71/426895871.db2.gz XMCOUADCZGZEPE-YOEHRIQHSA-N 2 0 308.491 2.511 20 0 DFADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@@H](c2ccc(F)cc2)N(C)C)[C@@H](C)C1 ZINC000247068016 426897296 /nfs/dbraw/zinc/89/72/96/426897296.db2.gz ODWDRIZPRKSFIX-WBAXXEDZSA-N 2 0 307.457 2.748 20 0 DFADRP CC(C)[NH+]1CCC(N(C)CC(=O)N(C2CC2)C2CCCC2)CC1 ZINC000337697049 426925798 /nfs/dbraw/zinc/92/57/98/426925798.db2.gz YQCCRTJRDAFXOV-UHFFFAOYSA-N 2 0 321.509 2.725 20 0 DFADRP c1cc([C@H]2OCCC[C@@H]2[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)ccn1 ZINC000275690964 426899043 /nfs/dbraw/zinc/89/90/43/426899043.db2.gz WYGLXIFEBBGNSA-XLAORIBOSA-N 2 0 301.434 2.518 20 0 DFADRP CC[C@@H]1C[NH+](CCCC[N@@H+]2C[C@H](C)O[C@@H](CC)C2)C[C@@H](C)O1 ZINC000247080014 426901345 /nfs/dbraw/zinc/90/13/45/426901345.db2.gz SYZIPMKQUBECGI-USTZCAOPSA-N 2 0 312.498 2.765 20 0 DFADRP CC[N@@H+]1CCC[C@@H](NC2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000337659331 426905860 /nfs/dbraw/zinc/90/58/60/426905860.db2.gz POUXZNINPXDCLH-HXUWFJFHSA-N 2 0 315.505 2.767 20 0 DFADRP CC[N@@H+]1CC[C@H](NCCC[NH+]2CCc3ccccc3C2)[C@@H](C)C1 ZINC000247189346 426913534 /nfs/dbraw/zinc/91/35/34/426913534.db2.gz VQVPEPVIDAPFJZ-PXNSSMCTSA-N 2 0 315.505 2.755 20 0 DFADRP CC[C@H]1C[N@H+](CCCc2nc(-c3cccs3)no2)CC[C@H]1[NH3+] ZINC000316909268 426952830 /nfs/dbraw/zinc/95/28/30/426952830.db2.gz VHBCBNNTYYNLLS-QWHCGFSZSA-N 2 0 320.462 2.790 20 0 DFADRP CC(C)[C@H]([NH3+])CC(=O)NCC1([NH+]2CCCCC2)CCCCC1 ZINC000316965625 426953213 /nfs/dbraw/zinc/95/32/13/426953213.db2.gz IYZKYLXVEXNTQD-MRXNPFEDSA-N 2 0 309.498 2.665 20 0 DFADRP C[C@@H]1C[C@H]([NH2+][C@@H]2CCN(c3ccccc3F)C2)CN1C1CC1 ZINC000291725466 426964521 /nfs/dbraw/zinc/96/45/21/426964521.db2.gz NEQPJZAQPMBNNW-KFWWJZLASA-N 2 0 303.425 2.619 20 0 DFADRP CC[N@@H+]1CC[C@H]([NH2+][C@H](C)c2ccc(NC(N)=O)cc2)[C@H](C)C1 ZINC000247960605 426968789 /nfs/dbraw/zinc/96/87/89/426968789.db2.gz GELXSTLMFXDLPQ-IOASZLSFSA-N 2 0 304.438 2.558 20 0 DFADRP CCO[C@@H]1C[C@H]([NH2+]C2CC[NH+](CCCOC)CC2)C12CCCC2 ZINC000181660778 426974125 /nfs/dbraw/zinc/97/41/25/426974125.db2.gz GSLTYHMONIEKDD-ZWKOTPCHSA-N 2 0 324.509 2.815 20 0 DFADRP CCC1(CC)[C@H]([NH2+]C2CC[NH+](C[C@@H]3CCOC3)CC2)C[C@H]1OC ZINC000181775974 426979244 /nfs/dbraw/zinc/97/92/44/426979244.db2.gz PNVQFUPAEATKRU-CGTJXYLNSA-N 2 0 324.509 2.671 20 0 DFADRP CC(C)C[C@H](CNC(=O)c1sccc1C[NH+](C)C)[NH+](C)C ZINC000268164951 426934472 /nfs/dbraw/zinc/93/44/72/426934472.db2.gz UIHNSKRDURDNKE-CQSZACIVSA-N 2 0 311.495 2.516 20 0 DFADRP CCC[C@H](C(=O)NC[C@@H](c1ccc(CC)cc1)[NH+](C)C)[NH+](C)C ZINC000337953386 427056591 /nfs/dbraw/zinc/05/65/91/427056591.db2.gz YTFGUOFMDAHUMP-MSOLQXFVSA-N 2 0 319.493 2.698 20 0 DFADRP CCC(=O)CC[NH+]1CCC(CC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000190269528 427059806 /nfs/dbraw/zinc/05/98/06/427059806.db2.gz SMPZEVYXXCTWBS-HZPDHXFCSA-N 2 0 310.482 2.567 20 0 DFADRP C[N@H+](Cc1ccccc1)CC(C)(C)C[NH2+]CC1(CCO)CC1 ZINC000190003044 426996896 /nfs/dbraw/zinc/99/68/96/426996896.db2.gz IVRNVEITTHTUTH-UHFFFAOYSA-N 2 0 304.478 2.897 20 0 DFADRP CCCC[C@@H](COC)[NH2+]Cc1ccccc1C[N@@H+]1CC[C@@H](O)C1 ZINC000248445958 427001601 /nfs/dbraw/zinc/00/16/01/427001601.db2.gz MTGFCVJDNCJHMM-RBUKOAKNSA-N 2 0 320.477 2.548 20 0 DFADRP C[C@@H]1C[C@@H](NC[C@H](C2CC2)[NH+](C)Cc2ccccc2)CC[N@@H+]1C ZINC000248583920 427015443 /nfs/dbraw/zinc/01/54/43/427015443.db2.gz WXGHQJMIFOEYKC-LSTHTHJFSA-N 2 0 315.505 2.969 20 0 DFADRP C[C@@H](CCNC(=O)CC[C@@H]1CCC[NH2+]1)[N@H+](C)Cc1ccccc1 ZINC000292027395 427061832 /nfs/dbraw/zinc/06/18/32/427061832.db2.gz GIANHBNBZSKTTE-WMZOPIPTSA-N 2 0 317.477 2.545 20 0 DFADRP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]CCn1ccnc1 ZINC000276255466 427019214 /nfs/dbraw/zinc/01/92/14/427019214.db2.gz QKLLJHOJNZTGIZ-DZFIZOCASA-N 2 0 312.461 2.629 20 0 DFADRP C[C@H]([NH2+]CCN1CCC([NH+](C)C)CC1)[C@@H]1C[C@H]1c1ccccc1 ZINC000283477172 427019416 /nfs/dbraw/zinc/01/94/16/427019416.db2.gz WUDXVHIQBBBUJC-VDGAXYAQSA-N 2 0 315.505 2.794 20 0 DFADRP C[C@H](CNC(=O)CC1(C[NH3+])CCCCC1)[N@@H+]1CCC[C@H](C)C1 ZINC000248634227 427023906 /nfs/dbraw/zinc/02/39/06/427023906.db2.gz JKLHUIVAYKHNLO-JKSUJKDBSA-N 2 0 309.498 2.522 20 0 DFADRP CCOC(=O)[C@H](CC(C)C)[N@@H+]1CCC[C@@H]1Cn1ccnc1C ZINC000182216436 427027060 /nfs/dbraw/zinc/02/70/60/427027060.db2.gz UCBXKQOQFJXCIX-CVEARBPZSA-N 2 0 307.438 2.634 20 0 DFADRP C[NH+](C)CCC1CC[NH+](C[C@@H](O)CCc2ccccc2)CC1 ZINC000182259093 427040765 /nfs/dbraw/zinc/04/07/65/427040765.db2.gz BJCBKUHLVMCUKU-IBGZPJMESA-N 2 0 304.478 2.644 20 0 DFADRP C[N@H+](C[C@H]1CC=CCC1)C[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000190318786 427072150 /nfs/dbraw/zinc/07/21/50/427072150.db2.gz ANLQVIPFKNEHTI-AZUAARDMSA-N 2 0 314.473 2.912 20 0 DFADRP CCn1ccnc1[C@@H](C)NCc1cccc(OCC[NH+](C)C)c1 ZINC000296113896 427080790 /nfs/dbraw/zinc/08/07/90/427080790.db2.gz UYRQRQZKIDEAPH-OAHLLOKOSA-N 2 0 316.449 2.694 20 0 DFADRP C[C@@H](C(=O)NCc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1)[C@H](C)[NH3+] ZINC000249060679 427082843 /nfs/dbraw/zinc/08/28/43/427082843.db2.gz PFMJNQKMGBDBDS-OAGGEKHMSA-N 2 0 317.477 2.518 20 0 DFADRP CO[C@@H]1CC[C@@H]([NH2+][C@H](C)c2cccc(OCC[NH+](C)C)c2)C1 ZINC000249063238 427083296 /nfs/dbraw/zinc/08/32/96/427083296.db2.gz PZGQHVQFRBDEEC-DJIMGWMZSA-N 2 0 306.450 2.845 20 0 DFADRP C[C@@H]1C[C@H]([NH2+]Cc2ccc(OC3CC[NH+](C)CC3)cc2)CCO1 ZINC000283825790 427085365 /nfs/dbraw/zinc/08/53/65/427085365.db2.gz DNBISZAPVQIZKK-NVXWUHKLSA-N 2 0 318.461 2.817 20 0 DFADRP C[C@H](CNC(=O)[C@@H](C)[N@H+]1[C@H](C)CC[C@@H]1C)[NH+]1CCCC[C@H]1C ZINC000338002921 427086762 /nfs/dbraw/zinc/08/67/62/427086762.db2.gz SSDWUOKPPAZSFT-NQNKBUKLSA-N 2 0 309.498 2.627 20 0 DFADRP CC1CC[NH+](Cc2ccc(NC(=O)C3([NH3+])CCC3)cc2)CC1 ZINC000296147311 427092874 /nfs/dbraw/zinc/09/28/74/427092874.db2.gz VRGMGWAJPAVYBL-UHFFFAOYSA-N 2 0 301.434 2.738 20 0 DFADRP C[C@@H]([NH2+]CCC[NH+]1CCCCC1)c1ccc2c(c1)CC(=O)N2C ZINC000268701292 427094715 /nfs/dbraw/zinc/09/47/15/427094715.db2.gz ABJCIDSWDZBVFC-OAHLLOKOSA-N 2 0 315.461 2.732 20 0 DFADRP CCO[C@@H](CC[NH+](C)C)C[NH2+][C@@H]1CCCc2c(O)cccc21 ZINC000283949869 427104561 /nfs/dbraw/zinc/10/45/61/427104561.db2.gz FRPVXAWRQZFGEB-WMLDXEAASA-N 2 0 306.450 2.716 20 0 DFADRP Cc1ccccc1[C@H]([NH3+])C(=O)NCCC[N@@H+](C)C1CCCCC1 ZINC000296191466 427109157 /nfs/dbraw/zinc/10/91/57/427109157.db2.gz YOLFNFXLQSALDD-SFHVURJKSA-N 2 0 317.477 2.766 20 0 DFADRP C[C@@H]([NH2+]CCC[N@H+](C)Cc1ccccc1)C(C)(C)n1cncn1 ZINC000283993325 427113539 /nfs/dbraw/zinc/11/35/39/427113539.db2.gz HLTDWNSMERFFCB-MRXNPFEDSA-N 2 0 315.465 2.513 20 0 DFADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC[C@@H]1CCC[NH+]1C ZINC000268795469 427118276 /nfs/dbraw/zinc/11/82/76/427118276.db2.gz HUCGMDJAFBCCKP-NZSAHSFTSA-N 2 0 301.478 2.581 20 0 DFADRP CNC(=O)C[C@H](C)[NH2+]Cc1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000268823650 427127620 /nfs/dbraw/zinc/12/76/20/427127620.db2.gz OSEJWTZHFRQRMO-HOTGVXAUSA-N 2 0 317.477 2.533 20 0 DFADRP C[N@@H+]1CC[C@@]2(CCN(CC(=O)Nc3cccc4ccccc43)C2)C1 ZINC000292208557 427131973 /nfs/dbraw/zinc/13/19/73/427131973.db2.gz SYXUXLLYNFPNLF-HXUWFJFHSA-N 2 0 323.440 2.806 20 0 DFADRP OC[C@H]1CCC[N@@H+]1CCCC[NH2+][C@@H]1CCCOc2ccccc21 ZINC000268966871 427141633 /nfs/dbraw/zinc/14/16/33/427141633.db2.gz YPNUNSOHHXCEJZ-SJLPKXTDSA-N 2 0 318.461 2.727 20 0 DFADRP C[C@@H](C(=O)NC[C@H](c1cccs1)[NH+](C)C)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000249737852 427142673 /nfs/dbraw/zinc/14/26/73/427142673.db2.gz HASIXLBVKBBKJG-LJISPDSOSA-N 2 0 323.506 2.728 20 0 DFADRP C[C@@H]1CC[C@H](C[NH+]2CCC(CC[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)O1 ZINC000190651718 427152654 /nfs/dbraw/zinc/15/26/54/427152654.db2.gz SVBZBWDTWFYUHY-VXIBKDFQSA-N 2 0 324.509 2.765 20 0 DFADRP CCC[NH+]1CCC(N(C)CC(=O)N[C@@H]2CCC[C@H](C)[C@@H]2C)CC1 ZINC000109786646 271010424 /nfs/dbraw/zinc/01/04/24/271010424.db2.gz FRKIWXZUQPGZHC-XYJFISCASA-N 2 0 323.525 2.734 20 0 DFADRP C[C@H]([NH2+]CCC1CC[NH+](C)CC1)c1ccc(C(=O)N(C)C)cc1 ZINC000292293632 427160376 /nfs/dbraw/zinc/16/03/76/427160376.db2.gz VJQWAESTQNSVNT-HNNXBMFYSA-N 2 0 317.477 2.771 20 0 DFADRP CC1CC[NH+](CCCNC(=O)[C@@H]2CCCCCC[C@@H]2[NH3+])CC1 ZINC000163844625 271090561 /nfs/dbraw/zinc/09/05/61/271090561.db2.gz WRMCGAKXTZBRGA-SJORKVTESA-N 2 0 309.498 2.522 20 0 DFADRP C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)C(C)(C)C[NH3+] ZINC000164590538 271094481 /nfs/dbraw/zinc/09/44/81/271094481.db2.gz CZVXLFGGGIQXMA-HNNXBMFYSA-N 2 0 317.477 2.662 20 0 DFADRP C[C@@H](C(=O)NCC[N@H+](C)C1CCCCC1)[C@@H]([NH3+])c1ccccc1 ZINC000165005906 271094656 /nfs/dbraw/zinc/09/46/56/271094656.db2.gz URWPHYXLILXWHM-CRAIPNDOSA-N 2 0 317.477 2.703 20 0 DFADRP CC1CC[NH+](CCC[NH2+]CCCNC(=O)OC(C)(C)C)CC1 ZINC000227404622 271235428 /nfs/dbraw/zinc/23/54/28/271235428.db2.gz CPLDQRYDZKSCBT-UHFFFAOYSA-N 2 0 313.486 2.613 20 0 DFADRP C[C@@H](C[NH2+]CCCNC(=O)OC(C)(C)C)C[NH+]1CCCCC1 ZINC000227409694 271235618 /nfs/dbraw/zinc/23/56/18/271235618.db2.gz DJUZXYHNFFDVND-HNNXBMFYSA-N 2 0 313.486 2.613 20 0 DFADRP CN(C(=O)c1ccc(Nc2cc[nH+]cc2)cc1)C1CC[NH2+]CC1 ZINC000237107476 271244986 /nfs/dbraw/zinc/24/49/86/271244986.db2.gz RUBDCHKXQKAMKI-UHFFFAOYSA-N 2 0 310.401 2.649 20 0 DFADRP [NH3+]CCCCCCC(=O)NC[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000237988929 271254596 /nfs/dbraw/zinc/25/45/96/271254596.db2.gz DBCQCNLWXMOLQI-GOSISDBHSA-N 2 0 317.477 2.676 20 0 DFADRP [NH3+]C[C@H]1CCCC[C@H]1NC(=O)c1cccc(C[NH+]2CCCC2)c1 ZINC000238020980 271256543 /nfs/dbraw/zinc/25/65/43/271256543.db2.gz YDEWEEMXVIVVLG-QZTJIDSGSA-N 2 0 315.461 2.530 20 0 DFADRP Cc1cc(C[NH2+][C@@H](C)c2cccc(OCC[NH+](C)C)c2)n(C)n1 ZINC000284283854 427171737 /nfs/dbraw/zinc/17/17/37/427171737.db2.gz JYZYCSQRLMWVKF-HNNXBMFYSA-N 2 0 316.449 2.520 20 0 DFADRP C[C@@H]1C[C@H](N[C@H]2CC[NH+]3CCC[C@H]3C2)C[N@@H+]1Cc1ccccc1 ZINC000303394882 271364426 /nfs/dbraw/zinc/36/44/26/271364426.db2.gz XGRHAFKBAZGUTK-GTAWCEEGSA-N 2 0 313.489 2.866 20 0 DFADRP C[C@@H]1C[C@H]([NH2+]C2CCC3(CC2)c2ccccc2NC3=O)CC[NH2+]1 ZINC000333344100 271371184 /nfs/dbraw/zinc/37/11/84/271371184.db2.gz YUTKJOFFOQOZEU-PPXVZNSRSA-N 2 0 313.445 2.549 20 0 DFADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCC[NH2+]Cc2cn(C(C)(C)C)nn2)C1 ZINC000190773557 427178233 /nfs/dbraw/zinc/17/82/33/427178233.db2.gz JTLPNPFUQFCULU-IYBDPMFKSA-N 2 0 321.513 2.881 20 0 DFADRP CC(C)[C@H](O)C[NH+]1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC000284311810 427178359 /nfs/dbraw/zinc/17/83/59/427178359.db2.gz PFRIQMIXOXKKMW-LJQANCHMSA-N 2 0 304.478 2.847 20 0 DFADRP CC[NH+]1CCN([C@H](C)C[NH2+][C@@H]2CCc3c2c(F)ccc3F)CC1 ZINC000338199953 427189116 /nfs/dbraw/zinc/18/91/16/427189116.db2.gz PBWCWEBWJQONBI-CXAGYDPISA-N 2 0 323.431 2.568 20 0 DFADRP Cc1cc(N2CC[C@H]3OCC[N@@H+](C)[C@@H]3C2)c2cc(F)ccc2[nH+]1 ZINC000284429720 427192794 /nfs/dbraw/zinc/19/27/94/427192794.db2.gz DAJXKDKFCXXNJY-QZTJIDSGSA-N 2 0 315.392 2.592 20 0 DFADRP COc1cc2c(cc1F)[nH+]ccc2N1CC[C@@H](C[NH+](C)C)C1 ZINC000293170187 427234891 /nfs/dbraw/zinc/23/48/91/427234891.db2.gz VDPRJZZYISVSAY-LBPRGKRZSA-N 2 0 303.381 2.770 20 0 DFADRP COc1cc2c(cc1F)[nH+]ccc2N1CC[C@H](C[NH+](C)C)C1 ZINC000293170181 427235225 /nfs/dbraw/zinc/23/52/25/427235225.db2.gz VDPRJZZYISVSAY-GFCCVEGCSA-N 2 0 303.381 2.770 20 0 DFADRP CCc1ccccc1CC[N@H+]1CC[C@@H](N2CC[NH+](CC)CC2)C1 ZINC000277564651 427244325 /nfs/dbraw/zinc/24/43/25/427244325.db2.gz ASNUKQTXMZMCNG-HXUWFJFHSA-N 2 0 315.505 2.503 20 0 DFADRP OC[C@@H]1CN(Cc2ccccc2)CC[C@@H]1[NH2+]C[C@H]1CC=CCC1 ZINC000269804009 427280649 /nfs/dbraw/zinc/28/06/49/427280649.db2.gz KKRZORKODQVVHY-IHPCNDPISA-N 2 0 314.473 2.815 20 0 DFADRP C[C@H](Cc1cccc(Cl)c1)[NH2+]C[C@@H](O)C[NH+]1CCC(C)CC1 ZINC000338428471 427317229 /nfs/dbraw/zinc/31/72/29/427317229.db2.gz DHXVMERSEAEWAI-CRAIPNDOSA-N 2 0 324.896 2.953 20 0 DFADRP Cn1cc(C[NH+]2CCC([C@H]3CCC[NH2+]3)CC2)c(C(C)(C)C)n1 ZINC000261824739 427341627 /nfs/dbraw/zinc/34/16/27/427341627.db2.gz AWDXFSYHVOOWTD-MRXNPFEDSA-N 2 0 304.482 2.682 20 0 DFADRP CC[NH+]1CCN(C[C@H](C)C[NH2+]Cc2ccc([C@H]3C[C@H]3C)o2)CC1 ZINC000261969746 427347900 /nfs/dbraw/zinc/34/79/00/427347900.db2.gz CUQJNJBNMUQMGF-NUJGCVRESA-N 2 0 319.493 2.766 20 0 DFADRP CCN(C)c1ccc(C[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@H+]3C)cn1 ZINC000191221926 427289448 /nfs/dbraw/zinc/28/94/48/427289448.db2.gz BFORZFALSCYVCV-ALOPSCKCSA-N 2 0 302.466 2.643 20 0 DFADRP C[N@@H+]1CCC[C@@]2(CCN(Cc3cnc4ccc(Cl)cn34)C2)C1 ZINC000293617931 427382230 /nfs/dbraw/zinc/38/22/30/427382230.db2.gz KNLFORYFXKUSHX-QGZVFWFLSA-N 2 0 318.852 2.905 20 0 DFADRP CCCC[N@H+](CC)Cc1cccc(CNC(=O)[C@H](C)C[NH3+])c1 ZINC000285951628 427384392 /nfs/dbraw/zinc/38/43/92/427384392.db2.gz GITSBRXNNQXIHP-OAHLLOKOSA-N 2 0 305.466 2.520 20 0 DFADRP CO[C@H](C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C)C1CC1 ZINC000293623132 427385287 /nfs/dbraw/zinc/38/52/87/427385287.db2.gz FXHYGDOGDULFNV-ZYSHUDEJSA-N 2 0 302.462 2.912 20 0 DFADRP COc1ccc2[nH]c3c(c2c1)C[C@@H]([NH2+]CCN1CCCC1)CC3 ZINC000184142257 427403580 /nfs/dbraw/zinc/40/35/80/427403580.db2.gz MWEXORNLINTCJW-AWEZNQCLSA-N 2 0 313.445 2.719 20 0 DFADRP Fc1ccccc1N1CC[C@H]([NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)C1 ZINC000293678790 427406103 /nfs/dbraw/zinc/40/61/03/427406103.db2.gz NCAJNRYKAWBBKQ-PMPSAXMXSA-N 2 0 303.425 2.621 20 0 DFADRP C[C@H](C[NH2+]C1CCN(c2ccc(F)cc2F)CC1)C[NH+](C)C ZINC000293694170 427408676 /nfs/dbraw/zinc/40/86/76/427408676.db2.gz NXFVKVALZBSARG-CYBMUJFWSA-N 2 0 311.420 2.721 20 0 DFADRP FC(F)(F)c1ccnc(CC[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000293711886 427414321 /nfs/dbraw/zinc/41/43/21/427414321.db2.gz MWMLCVWTXVBKQC-GJZGRUSLSA-N 2 0 313.367 2.859 20 0 DFADRP CCc1ccccc1NC(=O)C[C@H](C)[NH2+]C[C@@H](C)C[NH+](C)C ZINC000293718545 427414733 /nfs/dbraw/zinc/41/47/33/427414733.db2.gz PKHRMYUTDAQWHY-CABCVRRESA-N 2 0 305.466 2.753 20 0 DFADRP CCCCNC(=O)[C@H]1CC[C@H](C)[N@H+](CCC[NH+](CC)CC)C1 ZINC000191462649 427356484 /nfs/dbraw/zinc/35/64/84/427356484.db2.gz CEDKHAJYSHOWLA-IRXDYDNUSA-N 2 0 311.514 2.735 20 0 DFADRP CO[C@H](C[NH2+][C@@H](C)c1ccc(OCC[NH+](C)C)cc1)C1CC1 ZINC000293563149 427363958 /nfs/dbraw/zinc/36/39/58/427363958.db2.gz ASCLGONBBPQTMT-KBXCAEBGSA-N 2 0 306.450 2.703 20 0 DFADRP CO[C@H](C[NH2+][C@H](C)c1ccc(OCC[NH+](C)C)cc1)C1CC1 ZINC000293563156 427364366 /nfs/dbraw/zinc/36/43/66/427364366.db2.gz ASCLGONBBPQTMT-RDTXWAMCSA-N 2 0 306.450 2.703 20 0 DFADRP C[C@@H]1C[C@H](N(C)Cc2cnc3ccc(Cl)cn23)CC[N@@H+]1C ZINC000271206534 427450895 /nfs/dbraw/zinc/45/08/95/427450895.db2.gz RWMOOAJMSCRNFN-TZMCWYRMSA-N 2 0 306.841 2.902 20 0 DFADRP CSc1cc2c(cc1CN1CC[C@H](C[NH+](C)C)C1)OCCO2 ZINC000271210110 427452300 /nfs/dbraw/zinc/45/23/00/427452300.db2.gz XYMHHWGLGUFZCY-CYBMUJFWSA-N 2 0 322.474 2.563 20 0 DFADRP C[N@@H+](Cc1ccccc1)CC1CCN(Cc2ncccn2)CC1 ZINC000191985632 427455341 /nfs/dbraw/zinc/45/53/41/427455341.db2.gz JJQNZVNFCJDCTO-UHFFFAOYSA-N 2 0 310.445 2.821 20 0 DFADRP C[NH+](C)CCc1ccc(NC(=O)[C@H]2CCCC[C@]2(C)[NH3+])cc1 ZINC000263315496 427461267 /nfs/dbraw/zinc/46/12/67/427461267.db2.gz ZJYGFHOORANICC-AEFFLSMTSA-N 2 0 303.450 2.637 20 0 DFADRP CO[C@H]1C[C@@H](C[NH+]2CCCC2)N(c2cc[nH+]c3ccccc32)C1 ZINC000286266893 427472786 /nfs/dbraw/zinc/47/27/86/427472786.db2.gz FWLAGTBJBMLMCK-HOTGVXAUSA-N 2 0 311.429 2.924 20 0 DFADRP C[C@@H]([NH3+])[C@@H](C)C(=O)NCc1ccccc1C[NH+]1CCCCCC1 ZINC000192105378 427479169 /nfs/dbraw/zinc/47/91/69/427479169.db2.gz GXVZFDIMYIBATK-HZPDHXFCSA-N 2 0 317.477 2.662 20 0 DFADRP C[C@@H]([NH3+])[C@H](C)C(=O)NCc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000192094088 427480866 /nfs/dbraw/zinc/48/08/66/427480866.db2.gz PFMJNQKMGBDBDS-OWCLPIDISA-N 2 0 317.477 2.518 20 0 DFADRP [NH3+]CC1(CC(=O)N2CCC[C@@H]2C[NH+]2CCCCC2)CCCCC1 ZINC000184227563 427420347 /nfs/dbraw/zinc/42/03/47/427420347.db2.gz DUMXDAQUHNLKTP-QGZVFWFLSA-N 2 0 321.509 2.763 20 0 DFADRP COCCOc1ccc(CN2CC[C@@]3(C2)CCC[N@H+](C)C3)cc1 ZINC000293776016 427432625 /nfs/dbraw/zinc/43/26/25/427432625.db2.gz YYXVWKKUJGWGMC-IBGZPJMESA-N 2 0 318.461 2.630 20 0 DFADRP O[C@@H](C[NH2+][C@@H](Cc1ccccc1Cl)C1CC1)C[NH+]1CCCC1 ZINC000293785122 427434917 /nfs/dbraw/zinc/43/49/17/427434917.db2.gz QJUZPWPPICHSQA-WMZOPIPTSA-N 2 0 322.880 2.707 20 0 DFADRP COC(=O)[C@@H]1CCCCN1Cc1ccc(-n2ccnc2)cc1C ZINC000191856323 427435665 /nfs/dbraw/zinc/43/56/65/427435665.db2.gz ZROAZPYAAPIBDX-KRWDZBQOSA-N 2 0 313.401 2.708 20 0 DFADRP C[N@H+](C[C@@H]1CCSC1)C1CCN(CCc2ccccn2)CC1 ZINC000278412429 427435841 /nfs/dbraw/zinc/43/58/41/427435841.db2.gz HGZQVRNKGLYAMM-INIZCTEOSA-N 2 0 319.518 2.773 20 0 DFADRP CC[NH+]1CCN([C@H](C)C[NH2+][C@H](C)[C@H]2C[C@H]2c2ccccc2)CC1 ZINC000338688315 427438737 /nfs/dbraw/zinc/43/87/37/427438737.db2.gz OTYONUJIUBIHBV-LFGUQSLTSA-N 2 0 315.505 2.794 20 0 DFADRP C[NH+](C)C1(CNC(=O)[C@H]2CCCC[C@@]2(C)[NH3+])CCCCCC1 ZINC000263217802 427440342 /nfs/dbraw/zinc/44/03/42/427440342.db2.gz LEAGHFBTBMVNNY-NVXWUHKLSA-N 2 0 309.498 2.665 20 0 DFADRP Cc1nc(CC[NH2+]C2CCN(c3cc[nH+]cc3)CC2)sc1C ZINC000297747752 427443752 /nfs/dbraw/zinc/44/37/52/427443752.db2.gz UCQWTZDWMMDSBT-UHFFFAOYSA-N 2 0 316.474 2.956 20 0 DFADRP C[C@H]1C[N@H+](CCC[NH2+][C@H]2CCCOc3ccccc32)CCCO1 ZINC000278608238 427446351 /nfs/dbraw/zinc/44/63/51/427446351.db2.gz RDRJGBHNUZBNMH-WMZOPIPTSA-N 2 0 318.461 2.991 20 0 DFADRP Cc1nccn1CC[NH+]1CCC(c2ncc3n2CCCC3)CC1 ZINC000278924047 427501173 /nfs/dbraw/zinc/50/11/73/427501173.db2.gz RWMMXGRHVLLOAI-UHFFFAOYSA-N 2 0 313.449 2.604 20 0 DFADRP c1cc(N2CCC([NH2+][C@H]3CCCC34CCOCC4)CC2)cc[nH+]1 ZINC000298162228 427524884 /nfs/dbraw/zinc/52/48/84/427524884.db2.gz SQVJTYSHSYPYAN-SFHVURJKSA-N 2 0 315.461 2.989 20 0 DFADRP CN(CC[N@H+](C)CCc1cccc(Cl)c1)C1CC[NH+](C)CC1 ZINC000298115181 427526281 /nfs/dbraw/zinc/52/62/81/427526281.db2.gz ORAAQCPNSDCKLD-UHFFFAOYSA-N 2 0 323.912 2.840 20 0 DFADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+]CCc2cccc(Cl)c2)CC1 ZINC000298275433 427555907 /nfs/dbraw/zinc/55/59/07/427555907.db2.gz GQCPCBQLOULELZ-INIZCTEOSA-N 2 0 323.912 2.746 20 0 DFADRP O[C@H](Cc1ccc(F)cc1)C[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000338911329 427553236 /nfs/dbraw/zinc/55/32/36/427553236.db2.gz JXBLUCPEIZHCGE-LJQANCHMSA-N 2 0 320.452 2.537 20 0 DFADRP C[NH+](C)[C@@H]1CCc2cc(NC(=O)N3CCCC[C@@H]3C[NH3+])ccc21 ZINC000332620468 427621174 /nfs/dbraw/zinc/62/11/74/427621174.db2.gz HSZFBYICWWSJMT-NVXWUHKLSA-N 2 0 316.449 2.581 20 0 DFADRP CCN1CCN(C(=O)[C@H](C)[NH2+][C@@H](C)c2cccc(Cl)c2)CC1 ZINC000192540808 427559670 /nfs/dbraw/zinc/55/96/70/427559670.db2.gz SPOMKJHXXYHQOI-KBPBESRZSA-N 2 0 323.868 2.543 20 0 DFADRP CCC[C@@H]([NH2+]C1CCN(CC[NH+](C)C)CC1)c1cccnc1 ZINC000184983001 427571116 /nfs/dbraw/zinc/57/11/16/427571116.db2.gz LKYTVWOJNCOGBE-GOSISDBHSA-N 2 0 304.482 2.538 20 0 DFADRP CCC[C@H]([NH2+]C1CCN(CC[NH+](C)C)CC1)c1cccnc1 ZINC000184982985 427571286 /nfs/dbraw/zinc/57/12/86/427571286.db2.gz LKYTVWOJNCOGBE-SFHVURJKSA-N 2 0 304.482 2.538 20 0 DFADRP CCC[C@@H]([NH2+]C[C@@H](C(C)C)N1CC[NH+](C)CC1)c1cccnc1 ZINC000184976882 427571669 /nfs/dbraw/zinc/57/16/69/427571669.db2.gz AGOFNLOWVJFEMB-MOPGFXCFSA-N 2 0 318.509 2.784 20 0 DFADRP C[C@@H]1C[C@H](C[NH2+][C@@H]2CC(C)(C)Oc3ccc(N)cc32)CC[NH2+]1 ZINC000332311830 427575496 /nfs/dbraw/zinc/57/54/96/427575496.db2.gz GXLXMCPNFOCTQE-XJKCOSOUSA-N 2 0 303.450 2.849 20 0 DFADRP CC[N@@H+]1CC[C@H]([NH+](C)C[C@H](O)Cc2ccc(F)cc2)C[C@@H]1C ZINC000339009699 427623056 /nfs/dbraw/zinc/62/30/56/427623056.db2.gz GKXCITQSJHMAEP-JCGIZDLHSA-N 2 0 308.441 2.534 20 0 DFADRP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@H](c1ccc(F)cc1)C1CC1 ZINC000271621841 427580265 /nfs/dbraw/zinc/58/02/65/427580265.db2.gz BTXJMMGXMSGWIH-KDOFPFPSSA-N 2 0 305.441 2.502 20 0 DFADRP COC(=O)c1cccc(CN2CC[C@@]3(CC[N@H+](C)C3)C2)c1Cl ZINC000294214198 427588140 /nfs/dbraw/zinc/58/81/40/427588140.db2.gz MXSQKWXAHHBXOZ-QGZVFWFLSA-N 2 0 322.836 2.654 20 0 DFADRP COCCOc1ccc([C@H](C)[NH2+]CC2=CC[N@H+](C)CC2)cc1 ZINC000271822374 427588858 /nfs/dbraw/zinc/58/88/58/427588858.db2.gz CQGMCBBLKCRANI-HNNXBMFYSA-N 2 0 304.434 2.624 20 0 DFADRP CC[NH+]1CCC(N[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C)CC1 ZINC000287393867 427597634 /nfs/dbraw/zinc/59/76/34/427597634.db2.gz QIVKEDSLQSFNET-VQIMIIECSA-N 2 0 301.478 2.723 20 0 DFADRP C[C@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C)N1CCc2sccc2C1 ZINC000192751748 427601165 /nfs/dbraw/zinc/60/11/65/427601165.db2.gz MSZXAIGWVVVECV-HZTRTUMWSA-N 2 0 319.518 2.710 20 0 DFADRP CC[NH+](CC)CCC[C@H](C)NC(=O)CC1(C[NH3+])CCCCC1 ZINC000185338056 427636679 /nfs/dbraw/zinc/63/66/79/427636679.db2.gz FVEFOJXPPUGJDJ-INIZCTEOSA-N 2 0 311.514 2.912 20 0 DFADRP CC1(C)CC([NH2+]C2CCN(CC(F)(F)F)CC2)CC(C)(C)[NH2+]1 ZINC000192944554 427638505 /nfs/dbraw/zinc/63/85/05/427638505.db2.gz FUSZMIDXSJTKPL-UHFFFAOYSA-N 2 0 321.431 2.912 20 0 DFADRP CN(c1ccccc1C[NH2+][C@@H]1C[C@@H]1C(F)F)C1CC[NH+](C)CC1 ZINC000342242725 271974636 /nfs/dbraw/zinc/97/46/36/271974636.db2.gz WKHBKFSVUMKAIF-JKSUJKDBSA-N 2 0 323.431 2.960 20 0 DFADRP C[C@H]1CC2(C[N@@H+]1Cc1nc(-c3ccccc3)no1)CC[NH2+]CC2 ZINC000333546144 427644998 /nfs/dbraw/zinc/64/49/98/427644998.db2.gz IRPWGSMYKCYJOH-AWEZNQCLSA-N 2 0 312.417 2.701 20 0 DFADRP CCOC(=O)c1cc(C[NH+]2CCC(CC[NH+](C)C)CC2)[nH]c1C ZINC000294759163 427654185 /nfs/dbraw/zinc/65/41/85/427654185.db2.gz IRZRIDCAAKCNJF-UHFFFAOYSA-N 2 0 321.465 2.664 20 0 DFADRP C[C@H]1C[C@@H]([NH2+]CCC(C)(C)CO)CN(Cc2ccccc2)C1 ZINC000294766642 427656821 /nfs/dbraw/zinc/65/68/21/427656821.db2.gz JSBACIGCSLCHAF-FUHWJXTLSA-N 2 0 304.478 2.895 20 0 DFADRP C[C@H]([NH2+]C[C@@H]1CCCOC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272164033 427658022 /nfs/dbraw/zinc/65/80/22/427658022.db2.gz GHBOMBZGYASNMM-WDSOQIARSA-N 2 0 302.462 2.913 20 0 DFADRP C[NH+](C)CCOc1cnccc1C[NH2+]C1CCC2(CC2)CC1 ZINC000342419331 272008401 /nfs/dbraw/zinc/00/84/01/272008401.db2.gz JPDHPMZXGUIVAW-UHFFFAOYSA-N 2 0 303.450 2.834 20 0 DFADRP CCC[N@H+](CC)Cc1ccc(C(=O)NCC2([NH3+])CCC2)cc1 ZINC000342578030 272027033 /nfs/dbraw/zinc/02/70/33/272027033.db2.gz CBQJSAHZFUNNOK-UHFFFAOYSA-N 2 0 303.450 2.530 20 0 DFADRP CC1(C)CC[C@H]1[NH2+]CCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000342663678 272039137 /nfs/dbraw/zinc/03/91/37/272039137.db2.gz JOOYBIQHDOSUOO-LJQANCHMSA-N 2 0 315.505 2.973 20 0 DFADRP C[C@@H]1CC(C)(C)C[C@@H]1[NH2+]Cc1ccnc(N2CC[NH+](C)CC2)c1 ZINC000193124204 427669111 /nfs/dbraw/zinc/66/91/11/427669111.db2.gz ZXABSYVLAMOKFQ-WBVHZDCISA-N 2 0 316.493 2.748 20 0 DFADRP CCCN(CC[NH+]1CCCCC1)C(=O)[C@@H](C)[NH2+]C(C)(C)CC ZINC000342787929 272054084 /nfs/dbraw/zinc/05/40/84/272054084.db2.gz OFFVDKIKJOGJMG-MRXNPFEDSA-N 2 0 311.514 2.878 20 0 DFADRP CCC[N@H+](CC)Cc1ccc(C(=O)N2CC[C@H]([C@@H](C)[NH3+])C2)cc1 ZINC000272207631 427671168 /nfs/dbraw/zinc/67/11/68/427671168.db2.gz HFRSGVFMJPITIO-QAPCUYQASA-N 2 0 317.477 2.728 20 0 DFADRP C[C@@H](C[NH2+][C@@H]1CCc2ccc(Cl)cc21)N1CC[NH+](C)CC1 ZINC000343104990 272087376 /nfs/dbraw/zinc/08/73/76/272087376.db2.gz SQKPWNSLSVSTAI-SUMWQHHRSA-N 2 0 307.869 2.553 20 0 DFADRP CC[NH+](CC)CCOCC[NH2+][C@@H]1CCc2cc(F)c(OC)cc21 ZINC000343446774 272148564 /nfs/dbraw/zinc/14/85/64/272148564.db2.gz MENMKLFNFJDPAZ-QGZVFWFLSA-N 2 0 324.440 2.770 20 0 DFADRP C[C@@H]1CN(C)C[C@@H]1[NH2+]Cc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000343473892 272156028 /nfs/dbraw/zinc/15/60/28/272156028.db2.gz MBUXFBMEJUZKDT-HLIPFELVSA-N 2 0 315.505 2.958 20 0 DFADRP CCCCN(CC)C(=O)C[NH+]1CCC(C[NH+](CC)CC)CC1 ZINC000343570018 272173720 /nfs/dbraw/zinc/17/37/20/272173720.db2.gz BIBVWIKIEWJESL-UHFFFAOYSA-N 2 0 311.514 2.689 20 0 DFADRP CC[NH+](CC)CC1CC[NH+]([C@@H](C)C(=O)NCCC(C)C)CC1 ZINC000343581796 272176700 /nfs/dbraw/zinc/17/67/00/272176700.db2.gz OUPLYZWBLLEMGW-INIZCTEOSA-N 2 0 311.514 2.591 20 0 DFADRP C[C@H](CCO)CC[NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]12 ZINC000295054599 427675214 /nfs/dbraw/zinc/67/52/14/427675214.db2.gz GBMBAYCBNPAGLZ-OJAHFUOMSA-N 2 0 316.489 2.895 20 0 DFADRP CCN1C[C@@H](C)[C@@H]([NH2+]CC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000343705297 272205186 /nfs/dbraw/zinc/20/51/86/272205186.db2.gz BYKDYZHBRPQRRM-XLIONFOSSA-N 2 0 315.505 2.828 20 0 DFADRP C[C@H]1CCC[C@H](C)C1[NH2+]Cc1ccncc1OCC[NH+](C)C ZINC000343920960 272237973 /nfs/dbraw/zinc/23/79/73/272237973.db2.gz DJQKNZAXOQIIIJ-GJZGRUSLSA-N 2 0 305.466 2.936 20 0 DFADRP C[C@H]([NH2+]Cc1ccncc1OCC[NH+](C)C)c1ccsc1 ZINC000344009897 272249278 /nfs/dbraw/zinc/24/92/78/272249278.db2.gz ZPEBAPJVLODUOM-ZDUSSCGKSA-N 2 0 305.447 2.934 20 0 DFADRP COc1cccc([C@@H](C)[N@H+](C)CCCN(C)CC[NH+](C)C)c1 ZINC000344028081 272251696 /nfs/dbraw/zinc/25/16/96/272251696.db2.gz MGIFAJWYBDUIMI-MRXNPFEDSA-N 2 0 307.482 2.572 20 0 DFADRP C[NH+](C)CCN1CCC([NH2+][C@H]2CCCc3ccc(F)cc32)CC1 ZINC000344137801 272271874 /nfs/dbraw/zinc/27/18/74/272271874.db2.gz SMKUTJUHAOOMFZ-IBGZPJMESA-N 2 0 319.468 2.819 20 0 DFADRP CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)[C@@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC000344243734 272295738 /nfs/dbraw/zinc/29/57/38/272295738.db2.gz VSYAONYXTUKSJT-GVDBMIGSSA-N 2 0 323.525 2.734 20 0 DFADRP CC(C)[NH+]1CCC(C(=O)Nc2ccc(C[NH+](C)C)cc2)CC1 ZINC000344262738 272299873 /nfs/dbraw/zinc/29/98/73/272299873.db2.gz JZHYOKYDYPXOCK-UHFFFAOYSA-N 2 0 303.450 2.807 20 0 DFADRP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+][C@H]1CCOC(C)(C)C1 ZINC000344311050 272309274 /nfs/dbraw/zinc/30/92/74/272309274.db2.gz VVZIVZKGPMIELV-HNNXBMFYSA-N 2 0 300.406 2.623 20 0 DFADRP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+]C[C@H]1CCCCS1 ZINC000344353100 272319372 /nfs/dbraw/zinc/31/93/72/272319372.db2.gz JCGLXRKSAMWTGN-MRXNPFEDSA-N 2 0 302.447 2.951 20 0 DFADRP Cc1cc(F)ccc1N1CCC[C@H]([NH2+][C@H]2CN(C)C[C@H]2C)C1 ZINC000344366552 272322162 /nfs/dbraw/zinc/32/21/62/272322162.db2.gz ABWGJWSLWLUZKR-PVAVHDDUSA-N 2 0 305.441 2.643 20 0 DFADRP CCN1C[C@H]([NH2+][C@H]2CCCN(c3cccc(F)c3)C2)[C@@H](C)C1 ZINC000344387165 272325438 /nfs/dbraw/zinc/32/54/38/272325438.db2.gz RHDDATANMACVEG-ZVZYQTTQSA-N 2 0 305.441 2.724 20 0 DFADRP CO[C@H](c1ccccc1)[C@H](C)[NH2+]CCCC[N@@H+]1CCC[C@@H]1CO ZINC000279841735 427722820 /nfs/dbraw/zinc/72/28/20/427722820.db2.gz ZXDVDCKDDJSDQC-UHOSZYNNSA-N 2 0 320.477 2.589 20 0 DFADRP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)N1CCC[C@H]([NH+]2[C@@H](C)CC[C@@H]2C)C1 ZINC000345000150 272391980 /nfs/dbraw/zinc/39/19/80/272391980.db2.gz IVHOMMKBHUBHSP-ADHGMGHFSA-N 2 0 321.509 2.723 20 0 DFADRP Cc1cc(N2CCC([C@@H]3OCC[C@H]3[NH3+])CC2)c2ccccc2[nH+]1 ZINC000333758227 427685462 /nfs/dbraw/zinc/68/54/62/427685462.db2.gz CCVLKAPGLQSKFW-APWZRJJASA-N 2 0 311.429 2.876 20 0 DFADRP CCC[N@H+](C)C[C@H]1CCN(Cc2c(C)cc(C)nc2OC)C1 ZINC000287773334 427690045 /nfs/dbraw/zinc/69/00/45/427690045.db2.gz NAKOFTAPTRHBSE-MRXNPFEDSA-N 2 0 305.466 2.871 20 0 DFADRP CC[NH+](CC)C[C@H]1CC[N@H+](C[C@@H](O)Cc2cccc(Cl)c2)C1 ZINC000287779925 427690923 /nfs/dbraw/zinc/69/09/23/427690923.db2.gz NJQUJGVHOHGKDZ-AEFFLSMTSA-N 2 0 324.896 2.907 20 0 DFADRP CCC[N@H+](C)C[C@@H]1CC[NH+](C[C@@H](O)Cc2cccc(Cl)c2)C1 ZINC000287966135 427723586 /nfs/dbraw/zinc/72/35/86/427723586.db2.gz ZANBMHKFIZKPRK-WMZOPIPTSA-N 2 0 324.896 2.907 20 0 DFADRP CCCOc1ccc(OCCN2CCC([NH+](C)C)CC2)cc1 ZINC000193806954 427715614 /nfs/dbraw/zinc/71/56/14/427715614.db2.gz YKLIRHRRNYJSJH-UHFFFAOYSA-N 2 0 306.450 2.880 20 0 DFADRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@H](C)[C@@H](OC)c1ccccc1 ZINC000279702956 427715596 /nfs/dbraw/zinc/71/55/96/427715596.db2.gz JOORVCITCPIIQJ-KBAYOESNSA-N 2 0 308.466 2.709 20 0 DFADRP Cn1cc(CC[NH+]2CCC(CCC[NH+]3CCCC3)CC2)cn1 ZINC000336857744 427763029 /nfs/dbraw/zinc/76/30/29/427763029.db2.gz UREGKYKNJCPTOO-UHFFFAOYSA-N 2 0 304.482 2.551 20 0 DFADRP CC[NH+](CC)CCSCc1nc([C@@H]([NH3+])CC(C)C)no1 ZINC000339387239 427765527 /nfs/dbraw/zinc/76/55/27/427765527.db2.gz JBSDGRSQSLIKBA-LBPRGKRZSA-N 2 0 300.472 2.691 20 0 DFADRP CCCC[N@H+](C)CC1CCN(C(=O)[C@H]2[NH2+]CCCC2(C)C)CC1 ZINC000336872356 427768792 /nfs/dbraw/zinc/76/87/92/427768792.db2.gz MEHBCJHNPLMMGY-QGZVFWFLSA-N 2 0 323.525 2.735 20 0 DFADRP CC[C@@H]([NH2+]C[C@@H](C(C)C)N1CC[NH+](C)CC1)c1ccc(F)cn1 ZINC000336872171 427768889 /nfs/dbraw/zinc/76/88/89/427768889.db2.gz LANCCYWWYCFXHQ-AEFFLSMTSA-N 2 0 322.472 2.533 20 0 DFADRP CC1(C)CCC[C@H]([NH2+]C[C@@H](O)CN2CCc3ccccc3C2)C1 ZINC000339549032 427791074 /nfs/dbraw/zinc/79/10/74/427791074.db2.gz POMCJSYAAYASRA-RBUKOAKNSA-N 2 0 316.489 2.964 20 0 DFADRP CC(C)CCC[N@H+](Cc1nccn1C)[C@H]1CC12CC[NH2+]CC2 ZINC000339411248 427770038 /nfs/dbraw/zinc/77/00/38/427770038.db2.gz XDEPVGQLOYSSCC-INIZCTEOSA-N 2 0 304.482 2.800 20 0 DFADRP Cc1cccc(NC(=O)[C@H](C)N2CC[C@@]3(C2)CCC[N@H+](C)C3)c1 ZINC000339433049 427773509 /nfs/dbraw/zinc/77/35/09/427773509.db2.gz IENBYKCNKRWVIT-LPHOPBHVSA-N 2 0 315.461 2.740 20 0 DFADRP CN1CCC([NH+]2CCC(NC(=O)C(C)(C)C(C)(C)C)CC2)CC1 ZINC000339544573 427791307 /nfs/dbraw/zinc/79/13/07/427791307.db2.gz HGNFUISODXUJLG-UHFFFAOYSA-N 2 0 323.525 2.734 20 0 DFADRP CC[N@H+](CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1)C(C)C ZINC000194097599 427730143 /nfs/dbraw/zinc/73/01/43/427730143.db2.gz CVAQWFSGABXFBY-UHFFFAOYSA-N 2 0 317.477 2.629 20 0 DFADRP CC[NH+](CC)Cc1ccc(C(=O)N[C@@H](C)Cn2ccnc2)cc1 ZINC000298941069 427731207 /nfs/dbraw/zinc/73/12/07/427731207.db2.gz BTEALDZSEWDSKJ-HNNXBMFYSA-N 2 0 314.433 2.543 20 0 DFADRP Cc1sccc1C[NH2+]C1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000339300196 427753863 /nfs/dbraw/zinc/75/38/63/427753863.db2.gz BTQKFTZQULABHK-IAGOWNOFSA-N 2 0 308.491 2.914 20 0 DFADRP C[C@@H]([NH2+]CCCC[NH+]1C[C@H](C)C[C@@H](C)C1)C(C)(C)n1cncn1 ZINC000340469551 427857523 /nfs/dbraw/zinc/85/75/23/427857523.db2.gz KQPQZFXFOMWJNX-BRWVUGGUSA-N 2 0 321.513 2.749 20 0 DFADRP CCCC[N@H+](C)CC1CC[NH+](C[C@@](C)(O)C(F)(F)F)CC1 ZINC000337140534 427804510 /nfs/dbraw/zinc/80/45/10/427804510.db2.gz RFRGYHGDJNVDHG-CQSZACIVSA-N 2 0 310.404 2.744 20 0 DFADRP CC[NH+](CC)CCOC1CC[NH+](CCc2c(C)noc2C)CC1 ZINC000339666284 427809465 /nfs/dbraw/zinc/80/94/65/427809465.db2.gz SVEPFHXUTLBCKA-UHFFFAOYSA-N 2 0 323.481 2.657 20 0 DFADRP COC(C)(C)[C@H](C)[NH2+]CCc1ccc(OCC[NH+](C)C)cc1 ZINC000340480506 427857767 /nfs/dbraw/zinc/85/77/67/427857767.db2.gz PJORIHPCPUVYAJ-HNNXBMFYSA-N 2 0 308.466 2.573 20 0 DFADRP CC(C)C[C@@H](C)C[NH+]1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000337194661 427813070 /nfs/dbraw/zinc/81/30/70/427813070.db2.gz WJCDTENKTHPXRM-KAKFPZCNSA-N 2 0 307.526 2.911 20 0 DFADRP Cc1cccc2c(N3CCN(Cc4nccn4C)CC3)cc[nH+]c12 ZINC000301676001 427815150 /nfs/dbraw/zinc/81/51/50/427815150.db2.gz PWBGIJCHXAOXBT-UHFFFAOYSA-N 2 0 321.428 2.599 20 0 DFADRP CCc1nn(C)c(CC)c1CN(CCC[NH3+])Cc1ccccc1 ZINC000359453365 427858018 /nfs/dbraw/zinc/85/80/18/427858018.db2.gz DNPWSQBOXJANSG-UHFFFAOYSA-N 2 0 314.477 2.896 20 0 DFADRP CCc1cc(N2CC[NH+]([C@H](C)COC)CC2)c2ccccc2[nH+]1 ZINC000301764519 427822794 /nfs/dbraw/zinc/82/27/94/427822794.db2.gz AUDCHGDNHGYGEQ-OAHLLOKOSA-N 2 0 313.445 2.954 20 0 DFADRP C[N@H+](CCC[NH+]1CCCC1)CCC(=O)Nc1ccccc1F ZINC000337279548 427830307 /nfs/dbraw/zinc/83/03/07/427830307.db2.gz UJFGOTQLSAMBIJ-UHFFFAOYSA-N 2 0 307.413 2.572 20 0 DFADRP CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCC[NH+]1C1CCCC1 ZINC000337311221 427837514 /nfs/dbraw/zinc/83/75/14/427837514.db2.gz CAUHMPZNMVVWJW-QZTJIDSGSA-N 2 0 321.509 2.630 20 0 DFADRP C[N@@H+]1CCC[C@H]1CC[NH+]1CCC[C@]1(CO)Cc1ccccc1 ZINC000355663891 427840955 /nfs/dbraw/zinc/84/09/55/427840955.db2.gz DSUWSLAAKUINGS-RBUKOAKNSA-N 2 0 302.462 2.540 20 0 DFADRP CC[C@H]1CN(c2nc(C)cc3ccccc32)CC[N@@H+]1C[C@H](C)O ZINC000302041575 427848095 /nfs/dbraw/zinc/84/80/95/427848095.db2.gz LPPFXVVWGHZTOD-RDJZCZTQSA-N 2 0 313.445 2.825 20 0 DFADRP CCC[N@H+](C)CC(=O)NCC(C)(C)[NH2+][C@H](C)c1ccccc1 ZINC000345673538 427853555 /nfs/dbraw/zinc/85/35/55/427853555.db2.gz HUKSBATVQFWROP-OAHLLOKOSA-N 2 0 305.466 2.574 20 0 DFADRP COC(C)(C)[C@@H](C)[NH2+]Cc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC000340473224 427856556 /nfs/dbraw/zinc/85/65/56/427856556.db2.gz DNPQTYYLRIXOFO-OAHLLOKOSA-N 2 0 320.477 2.546 20 0 DFADRP C[N@H+](CCCNC(=O)[C@@H]1CCCC[C@@]1(C)[NH3+])Cc1ccccc1 ZINC000345693817 427862905 /nfs/dbraw/zinc/86/29/05/427862905.db2.gz OZNSGSGUKAXKRE-PKOBYXMFSA-N 2 0 317.477 2.532 20 0 DFADRP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+][C@H](CO)CCC(C)(C)C ZINC000355725061 427863919 /nfs/dbraw/zinc/86/39/19/427863919.db2.gz FRNSCABPDKNSDQ-INIZCTEOSA-N 2 0 316.449 2.853 20 0 DFADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)C[C@@H](C)C(C)C ZINC000340515004 427870191 /nfs/dbraw/zinc/87/01/91/427870191.db2.gz LIKZRRGGANXQKJ-IAGOWNOFSA-N 2 0 311.514 2.543 20 0 DFADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CC2(COC)CCC2)[C@H](C)C1 ZINC000337377667 427874786 /nfs/dbraw/zinc/87/47/86/427874786.db2.gz BUDKEVFMLFUMPA-IAGOWNOFSA-N 2 0 312.498 2.530 20 0 DFADRP Cc1cc([C@H](C)[NH2+]CC2CC[NH+](CCN(C)C)CC2)oc1C ZINC000337390613 427881592 /nfs/dbraw/zinc/88/15/92/427881592.db2.gz KNIRSLRWHXGTSY-HNNXBMFYSA-N 2 0 307.482 2.821 20 0 DFADRP CCOc1cc(C[N@@H+]2CC[C@@H](Oc3ccncc3)C2)ccc1O ZINC000340576073 427883070 /nfs/dbraw/zinc/88/30/70/427883070.db2.gz JWEIKSKTFOZLBG-MRXNPFEDSA-N 2 0 314.385 2.839 20 0 DFADRP C[NH+]1CCN(c2ncccc2C[NH2+][C@@H]2CCC[C@H]3C[C@]32C)CC1 ZINC000337415968 427894904 /nfs/dbraw/zinc/89/49/04/427894904.db2.gz ZJJIGSSNSHPBQC-YQVWRLOYSA-N 2 0 314.477 2.502 20 0 DFADRP Cc1ccc([C@@H](O)C[N@@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)cc1 ZINC000304291392 427926178 /nfs/dbraw/zinc/92/61/78/427926178.db2.gz CNIDQMZZDSDPIK-HKUYNNGSSA-N 2 0 302.462 2.836 20 0 DFADRP CC[C@H](C)[NH2+][C@@H](CNC(=O)[C@@H](C)[NH2+]C(C)(C)CC)c1ccco1 ZINC000359543516 427903197 /nfs/dbraw/zinc/90/31/97/427903197.db2.gz NCBKGMBKJLSYFO-ZNMIVQPWSA-N 2 0 323.481 2.992 20 0 DFADRP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]C[C@@H](c1ccccc1Cl)N(C)C ZINC000359551204 427904754 /nfs/dbraw/zinc/90/47/54/427904754.db2.gz JRDUARLANNMISX-XYPHTWIQSA-N 2 0 309.885 2.873 20 0 DFADRP CC[N@@H+]1C[C@H](C)N(C(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)C[C@H]1C ZINC000345933215 427958136 /nfs/dbraw/zinc/95/81/36/427958136.db2.gz AKMAYIVNJGXKMS-IXDOHACOSA-N 2 0 321.509 2.582 20 0 DFADRP O=C(C[N@@H+]1CCCC12CCCCC2)NC1CC[NH+](C2CC2)CC1 ZINC000340230677 427960278 /nfs/dbraw/zinc/96/02/78/427960278.db2.gz MBSIBECJENDWGQ-UHFFFAOYSA-N 2 0 319.493 2.528 20 0 DFADRP CC[C@@H]([NH2+]CC1CC[NH+](C)CC1)c1ccc(C(=O)OC)cc1 ZINC000340229287 427961841 /nfs/dbraw/zinc/96/18/41/427961841.db2.gz UBDNJZDJWGJUML-QGZVFWFLSA-N 2 0 304.434 2.856 20 0 DFADRP C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)c1ccc(C[NH+](C)C)cc1 ZINC000341034948 427975604 /nfs/dbraw/zinc/97/56/04/427975604.db2.gz HPBICYZXQWEQMS-HZPDHXFCSA-N 2 0 317.477 2.741 20 0 DFADRP CCCn1nc(C)c(C[NH2+]Cc2cnc3n2CCCC3)c1C ZINC000376727908 427988169 /nfs/dbraw/zinc/98/81/69/427988169.db2.gz HMUQYUUWGAUXKE-UHFFFAOYSA-N 2 0 301.438 2.733 20 0 DFADRP C[C@H](CCNC(=O)CC[C@H]1CCCC[N@@H+]1C)[NH+]1CCCCC1 ZINC000356031082 427989617 /nfs/dbraw/zinc/98/96/17/427989617.db2.gz CXPJGTOPBXSUQI-IAGOWNOFSA-N 2 0 309.498 2.632 20 0 DFADRP CCN(CCCNC(=O)C[C@H]1CCC[C@H]1[NH3+])c1ccccc1 ZINC000340113679 427930176 /nfs/dbraw/zinc/93/01/76/427930176.db2.gz NJDNXUYCXCSSFQ-NVXWUHKLSA-N 2 0 303.450 2.537 20 0 DFADRP CC(C)[N@H+](C)CCC[NH2+][C@@H]1CCN(Cc2ccccn2)C[C@H]1C ZINC000359641226 427949317 /nfs/dbraw/zinc/94/93/17/427949317.db2.gz MVQXSNUGZQDNRG-IEBWSBKVSA-N 2 0 318.509 2.612 20 0 DFADRP C[C@H]([NH2+]Cc1cccc(OCC[NH+](C)C)c1)[C@@]1(C)CCCO1 ZINC000340189070 427949418 /nfs/dbraw/zinc/94/94/18/427949418.db2.gz UNUYMWHUBZKFNZ-MAUKXSAKSA-N 2 0 306.450 2.674 20 0 DFADRP Cc1cc(N(C)C[C@@H]2C[C@@H](F)CN2Cc2cccs2)ncn1 ZINC000359644509 427953192 /nfs/dbraw/zinc/95/31/92/427953192.db2.gz WIGSKUJYWLAAGE-KGLIPLIRSA-N 2 0 320.437 2.895 20 0 DFADRP Cc1cc(N(C)C[C@H]2C[C@@H](F)CN2Cc2cccs2)ncn1 ZINC000359644513 427953275 /nfs/dbraw/zinc/95/32/75/427953275.db2.gz WIGSKUJYWLAAGE-ZIAGYGMSSA-N 2 0 320.437 2.895 20 0 DFADRP C[NH+]1CCC(Oc2ccc(C[NH2+]C[C@H]3CCCOC3)cc2)CC1 ZINC000341253104 428028949 /nfs/dbraw/zinc/02/89/49/428028949.db2.gz JJVTYNVUUFJXJH-QGZVFWFLSA-N 2 0 318.461 2.676 20 0 DFADRP C[C@H](CCc1cccc(F)c1)[NH+]1CCC([N@@H+](C)C[C@H](C)O)CC1 ZINC000341332797 428033769 /nfs/dbraw/zinc/03/37/69/428033769.db2.gz WQWQQQFGEFSQTB-CVEARBPZSA-N 2 0 322.468 2.924 20 0 DFADRP Cc1nccn1CCCC[NH2+][C@H]1c2ccccc2CC[C@@H]1CO ZINC000377010484 428041460 /nfs/dbraw/zinc/04/14/60/428041460.db2.gz AQHJHRQMFBNJDB-IEBWSBKVSA-N 2 0 313.445 2.857 20 0 DFADRP CCCN(CC[NH+](CC)CC)C(=O)c1cccc(C[NH+](C)C)c1 ZINC000359850044 428046193 /nfs/dbraw/zinc/04/61/93/428046193.db2.gz PGGDUEVGKWAVIM-UHFFFAOYSA-N 2 0 319.493 2.942 20 0 DFADRP COCC[N@H+](C)CCC[NH2+]CCc1ccc(F)cc1Cl ZINC000356173337 428053487 /nfs/dbraw/zinc/05/34/87/428053487.db2.gz WWEYNJHIPYDLFT-UHFFFAOYSA-N 2 0 302.821 2.580 20 0 DFADRP C(C[NH+]1CCCO[C@H]2CCC[C@H]21)C[N@@H+]1CCCO[C@@H]2CCC[C@H]21 ZINC000359874959 428057212 /nfs/dbraw/zinc/05/72/12/428057212.db2.gz ROQKJHVQXMACGJ-MKXGPGLRSA-N 2 0 322.493 2.663 20 0 DFADRP CC[NH+](CC)CCCC1CC[NH+](CC(=O)N(C)C(C)C)CC1 ZINC000359874107 428057900 /nfs/dbraw/zinc/05/79/00/428057900.db2.gz MEBQNXNXQAFWQJ-UHFFFAOYSA-N 2 0 311.514 2.687 20 0 DFADRP Cc1nn(C(C)C)cc1C[N@@H+]1CCC[C@H](Cc2nccn2C)C1 ZINC000377107912 428059293 /nfs/dbraw/zinc/05/92/93/428059293.db2.gz WRVNJHNIGYGPAN-MRXNPFEDSA-N 2 0 315.465 2.961 20 0 DFADRP CN1CC[C@H]([NH2+][C@@H]2CCC[C@H]2CCO)C[C@H]1c1ccccc1 ZINC000340360102 427998823 /nfs/dbraw/zinc/99/88/23/427998823.db2.gz YJNHEYSQPKXPBZ-KANFNMMFSA-N 2 0 302.462 2.963 20 0 DFADRP CC[C@H](C(=O)N(CC[NH+](C)C)C1CCCCC1)[NH+](CC)CC ZINC000359780448 428015589 /nfs/dbraw/zinc/01/55/89/428015589.db2.gz BOBGBBFASIHYPX-QGZVFWFLSA-N 2 0 311.514 2.830 20 0 DFADRP COC[C@H]1CCCN(Cc2nc3c(s2)C[N@@H+](C(C)C)CC3)C1 ZINC000346210746 428071453 /nfs/dbraw/zinc/07/14/53/428071453.db2.gz VZZCQGKOCMPSLJ-AWEZNQCLSA-N 2 0 323.506 2.768 20 0 DFADRP Cn1ccnc1-c1cccc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000369840225 428072500 /nfs/dbraw/zinc/07/25/00/428072500.db2.gz KGGAIKRSVGBNFV-ZWKOTPCHSA-N 2 0 310.445 2.804 20 0 DFADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCSCCCO ZINC000377177257 428076450 /nfs/dbraw/zinc/07/64/50/428076450.db2.gz DACQMJDUIHIONR-SJLPKXTDSA-N 2 0 322.518 2.602 20 0 DFADRP CCC[NH+]1CCN(c2ccccc2C[NH2+][C@H]2CCSC2)CC1 ZINC000346217122 428077115 /nfs/dbraw/zinc/07/71/15/428077115.db2.gz XNEBJBPJGGXJCP-KRWDZBQOSA-N 2 0 319.518 2.814 20 0 DFADRP C[C@H](C(=O)N(C)CC[C@@H]1CCCC[N@@H+]1C)[NH+]1CCCCCC1 ZINC000346225533 428080105 /nfs/dbraw/zinc/08/01/05/428080105.db2.gz ULWIUZAVDIQZEE-SJORKVTESA-N 2 0 309.498 2.584 20 0 DFADRP CC[NH+]1CCN([C@H](C)C[NH2+]Cc2ccsc2Cl)CC1 ZINC000359959292 428093987 /nfs/dbraw/zinc/09/39/87/428093987.db2.gz RFXALLOEDZFAIA-GFCCVEGCSA-N 2 0 301.887 2.517 20 0 DFADRP C[C@H]([NH3+])[C@H]1CC[N@H+](CCc2nc(-c3cccc(Cl)c3)no2)C1 ZINC000351860490 428113354 /nfs/dbraw/zinc/11/33/54/428113354.db2.gz ISVCTVPWCGDRJJ-AAEUAGOBSA-N 2 0 320.824 2.602 20 0 DFADRP C[C@H]([NH3+])[C@H]1CC[N@H+](CCOc2ccc(C(F)(F)F)cc2)C1 ZINC000351861185 428114115 /nfs/dbraw/zinc/11/41/15/428114115.db2.gz JIQZJLVSXPWYML-RYUDHWBXSA-N 2 0 302.340 2.753 20 0 DFADRP C[C@@H]([NH3+])[C@@H]1CC[N@H+](Cc2ccc(OCc3ccccn3)cc2)C1 ZINC000351864650 428116440 /nfs/dbraw/zinc/11/64/40/428116440.db2.gz YTBADYOSXAQKJQ-NVXWUHKLSA-N 2 0 311.429 2.830 20 0 DFADRP CCN(CC[NH+]1CCCCCC1)C(=O)c1ccc2c[nH+]cn2c1 ZINC000346354143 428139557 /nfs/dbraw/zinc/13/95/57/428139557.db2.gz QVBQHGYAGCTUJY-UHFFFAOYSA-N 2 0 314.433 2.672 20 0 DFADRP Fc1ccc(-n2nccc2CN2CCC[C@@]3(CC[NH2+]C3)C2)cc1 ZINC000352546697 428143523 /nfs/dbraw/zinc/14/35/23/428143523.db2.gz ZENAADSOSGIQHB-SFHVURJKSA-N 2 0 314.408 2.587 20 0 DFADRP Cc1ccc(C[N@@H+]2CCC[C@@]3(CC[NH2+]C3)C2)c(-c2ccnn2C)c1 ZINC000352544417 428145675 /nfs/dbraw/zinc/14/56/75/428145675.db2.gz AJGFEHVDWFTDAN-FQEVSTJZSA-N 2 0 324.472 2.971 20 0 DFADRP CC(C)(C)SCC[NH+]1CCC(C)(C[NH+]2CCOCC2)CC1 ZINC000370171235 428149484 /nfs/dbraw/zinc/14/94/84/428149484.db2.gz FLNGUGMUJXUOKI-UHFFFAOYSA-N 2 0 314.539 2.952 20 0 DFADRP CN1CCC([NH+]2CCC(CC[N@H+](C)C/C=C/Cl)CC2)CC1 ZINC000370190543 428154696 /nfs/dbraw/zinc/15/46/96/428154696.db2.gz HZUTVGNMJQRFAT-YCRREMRBSA-N 2 0 313.917 2.867 20 0 DFADRP Cc1ccncc1C[NH+]1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000356448245 428184268 /nfs/dbraw/zinc/18/42/68/428184268.db2.gz RVHMWVUGXRUJTD-UHFFFAOYSA-N 2 0 317.477 2.714 20 0 DFADRP COc1ccc([C@@H](C)[NH2+]CCCC[N@@H+]2CCC[C@@H]2CO)c(C)c1 ZINC000414127349 428213680 /nfs/dbraw/zinc/21/36/80/428213680.db2.gz SCWMQJJAENVVEK-IAGOWNOFSA-N 2 0 320.477 2.891 20 0 DFADRP COc1ccc([C@H](C)[NH2+]CCCC[N@@H+]2CCC[C@H]2CO)c(C)c1 ZINC000414127351 428214468 /nfs/dbraw/zinc/21/44/68/428214468.db2.gz SCWMQJJAENVVEK-IRXDYDNUSA-N 2 0 320.477 2.891 20 0 DFADRP O[C@@H]1CCC[C@H]1[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000414131021 428214877 /nfs/dbraw/zinc/21/48/77/428214877.db2.gz YMGKCZOAWJDQNU-LASHMREHSA-N 2 0 314.473 2.933 20 0 DFADRP CCN(CCO)CC[NH2+][C@@H]1C[C@H](C)C[C@H](c2ccccc2)C1 ZINC000346554994 428215956 /nfs/dbraw/zinc/21/59/56/428215956.db2.gz XEWXRDJXOMUOLX-NZSAHSFTSA-N 2 0 304.478 2.863 20 0 DFADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+][C@H]2C[C@@H](OC(C)C)C2)[C@H](C)C1 ZINC000414144363 428216443 /nfs/dbraw/zinc/21/64/43/428216443.db2.gz MPGJFCQUEKITHQ-ZJPYXAASSA-N 2 0 312.498 2.669 20 0 DFADRP CCC[C@H]([NH2+]C(C)C)C(=O)N(CC)CC[NH+]1CCCCCC1 ZINC000360241639 428220620 /nfs/dbraw/zinc/22/06/20/428220620.db2.gz LZSJYDRYDKFKEG-KRWDZBQOSA-N 2 0 311.514 2.878 20 0 DFADRP Cc1cc2ncc([C@@H](C)[NH2+]CC[C@@H]3CCC[N@H+](C)C3)c(C)n2n1 ZINC000414169646 428221481 /nfs/dbraw/zinc/22/14/81/428221481.db2.gz BFZUEDBUUUUVJF-ZBFHGGJFSA-N 2 0 315.465 2.729 20 0 DFADRP CC(C)[C@@H](CCc1ccccc1)[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000360252296 428224388 /nfs/dbraw/zinc/22/43/88/428224388.db2.gz VWXIQCHCRSJOMR-RTBURBONSA-N 2 0 304.478 2.690 20 0 DFADRP C[C@@H]([NH2+]CC[C@H]1CCC[N@H+](C)C1)c1cccc(-n2ccnn2)c1 ZINC000414187207 428229027 /nfs/dbraw/zinc/22/90/27/428229027.db2.gz PRCLPILEUIFIJO-HZPDHXFCSA-N 2 0 313.449 2.650 20 0 DFADRP C[C@H]([NH2+]CC[C@@H]1CCC[N@H+](C)C1)c1ccc([S@](C)=O)cc1 ZINC000414189240 428229948 /nfs/dbraw/zinc/22/99/48/428229948.db2.gz RESXNOGINVXBJA-GXZWQRSESA-N 2 0 308.491 2.807 20 0 DFADRP C[C@H]([NH2+]CCC[N@@H+]1CCC[C@@H](C(N)=O)C1)C1CCCCCC1 ZINC000346605700 428235520 /nfs/dbraw/zinc/23/55/20/428235520.db2.gz NJUUDNITLBZLJY-DOTOQJQBSA-N 2 0 309.498 2.522 20 0 DFADRP CC[C@H]([NH2+]CCCN1CCN(c2cc[nH+]cc2)CC1)[C@H]1C[C@@H]1C ZINC000414065836 428196072 /nfs/dbraw/zinc/19/60/72/428196072.db2.gz GMIIHMGEIKJIEN-WDSOQIARSA-N 2 0 316.493 2.618 20 0 DFADRP C[C@H]([NH2+]Cc1ccc(CN2CC[NH+](C)CC2)cc1)[C@H]1C[C@H]1C ZINC000414076699 428199524 /nfs/dbraw/zinc/19/95/24/428199524.db2.gz QIALKSYJXPOFAA-GJYPPUQNSA-N 2 0 301.478 2.568 20 0 DFADRP CC[C@H]([NH2+]Cc1ccc(N2CC[NH+](CC)CC2)nc1)[C@@H]1C[C@@H]1C ZINC000414082847 428200771 /nfs/dbraw/zinc/20/07/71/428200771.db2.gz WMINNOYUWOHHMH-JQHSSLGASA-N 2 0 316.493 2.748 20 0 DFADRP C[NH2+]CCC1CCN(Cc2cnc3ccc(Cl)cn23)CC1 ZINC000346671621 428264866 /nfs/dbraw/zinc/26/48/66/428264866.db2.gz KHDKGDOOEFXGMI-UHFFFAOYSA-N 2 0 306.841 2.809 20 0 DFADRP C[C@@H]1C[C@@H](C[NH3+])C[N@@H+]1Cc1c[nH]nc1-c1cccc(Cl)c1 ZINC000346671471 428266277 /nfs/dbraw/zinc/26/62/77/428266277.db2.gz JTHXTTHLNTYOEL-NEPJUHHUSA-N 2 0 304.825 2.899 20 0 DFADRP [NH3+]CC1CC[NH+](Cc2cccc(OCC(F)(F)F)c2)CC1 ZINC000346679656 428271905 /nfs/dbraw/zinc/27/19/05/428271905.db2.gz ZZYRGUYMPWQBCD-UHFFFAOYSA-N 2 0 302.340 2.798 20 0 DFADRP Cc1nn(-c2ccc(F)cc2)c(C)c1C[N@H+]1C[C@H](C[NH3+])C[C@@H]1C ZINC000346689742 428273866 /nfs/dbraw/zinc/27/38/66/428273866.db2.gz SOJZKRHCEXLHAY-WFASDCNBSA-N 2 0 316.424 2.797 20 0 DFADRP COCCN1CCC[C@@H]1C[NH2+]Cc1ccc(SC)s1 ZINC000352845392 428276190 /nfs/dbraw/zinc/27/61/90/428276190.db2.gz IKWAUZDEGZTDMA-GFCCVEGCSA-N 2 0 300.493 2.670 20 0 DFADRP C[C@H](Cc1ccccc1F)[NH2+][C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000370688282 428276567 /nfs/dbraw/zinc/27/65/67/428276567.db2.gz FYCQFESFTCJVSN-WBVHZDCISA-N 2 0 319.468 2.515 20 0 DFADRP C[C@H]1C[C@@H](C[NH3+])C[N@@H+]1Cc1cnn(-c2ccc(Cl)cc2)c1 ZINC000346693730 428277065 /nfs/dbraw/zinc/27/70/65/428277065.db2.gz PFAIVMRYZCGNGE-STQMWFEESA-N 2 0 304.825 2.695 20 0 DFADRP C[C@H]1C[C@@H](C[NH3+])C[N@@H+]1Cc1ccc(OCc2ccncc2)cc1 ZINC000346693421 428277305 /nfs/dbraw/zinc/27/73/05/428277305.db2.gz NAPZSTKZYMMDDC-YJBOKZPZSA-N 2 0 311.429 2.830 20 0 DFADRP C[C@@H]1C[C@@H](C[NH3+])C[N@@H+]1Cc1cccc(OCc2ccccn2)c1 ZINC000346693184 428278024 /nfs/dbraw/zinc/27/80/24/428278024.db2.gz LFHJBKKWOIZOLX-WBVHZDCISA-N 2 0 311.429 2.830 20 0 DFADRP Cc1cccc(C[N@@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@@H](C)C2)c1C ZINC000370707025 428278232 /nfs/dbraw/zinc/27/82/32/428278232.db2.gz NOCYSFVQCWNMTC-PXNSSMCTSA-N 2 0 315.505 2.761 20 0 DFADRP Fc1cc(C[NH2+][C@H]2CCc3nc[nH]c3C2)ccc1OC(F)F ZINC000370728814 428285871 /nfs/dbraw/zinc/28/58/71/428285871.db2.gz DMMBSQBDEJHSEN-JTQLQIEISA-N 2 0 311.307 2.797 20 0 DFADRP Cc1ccc(-n2ccnc2)c(C(=O)N[C@H](C)C[N@H+](C)C(C)C)c1 ZINC000356732683 428288412 /nfs/dbraw/zinc/28/84/12/428288412.db2.gz ACNMAENCZBHBSF-OAHLLOKOSA-N 2 0 314.433 2.639 20 0 DFADRP CC[NH+](CC)[C@H](C(=O)N[C@H](C)C[N@H+](C)C(C)C)c1ccccc1 ZINC000356742771 428290839 /nfs/dbraw/zinc/29/08/39/428290839.db2.gz NGRYGCSJXMJYDF-AEFFLSMTSA-N 2 0 319.493 2.914 20 0 DFADRP C[C@@H]1C[N@H+](C[C@H]2CCCO2)CC[C@H]1[NH2+]CCc1cccs1 ZINC000370577411 428244828 /nfs/dbraw/zinc/24/48/28/428244828.db2.gz GFJAXHQAUSWJJV-BFYDXBDKSA-N 2 0 308.491 2.770 20 0 DFADRP CC[NH+](CC(C)C[N@@H+](CC)C[C@@H]1CCCO1)C[C@@H]1CCCO1 ZINC000346645914 428253704 /nfs/dbraw/zinc/25/37/04/428253704.db2.gz QIRGUMKQXGFWME-ROUUACIJSA-N 2 0 312.498 2.624 20 0 DFADRP OC1(C[NH2+][C@@H]2CCC23CCC3)CC[NH+](Cc2ccccc2)CC1 ZINC000414305111 428254984 /nfs/dbraw/zinc/25/49/84/428254984.db2.gz NERGHNDPCRPCES-GOSISDBHSA-N 2 0 314.473 2.936 20 0 DFADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+][C@H]1CCN(c2ccc(F)cc2F)C1 ZINC000370627518 428258313 /nfs/dbraw/zinc/25/83/13/428258313.db2.gz CDKWBHNNKGYBNK-LGWLGOQQSA-N 2 0 323.431 2.862 20 0 DFADRP C[C@H]([NH2+][C@H]1CCN(C2CC[NH+](C)CC2)C1)c1cccc(F)c1 ZINC000370637649 428259395 /nfs/dbraw/zinc/25/93/95/428259395.db2.gz VIPCIXGUOKNXEK-YOEHRIQHSA-N 2 0 305.441 2.645 20 0 DFADRP Cc1cccc([C@H](C)[NH2+][C@@H]2CCN(C3CC[NH+](C)CC3)C2)c1 ZINC000370637667 428260873 /nfs/dbraw/zinc/26/08/73/428260873.db2.gz VNYHSZXXYMEGEO-FUHWJXTLSA-N 2 0 301.478 2.814 20 0 DFADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1[NH2+]CCc1cc(F)c(F)c(F)c1 ZINC000356791515 428308385 /nfs/dbraw/zinc/30/83/85/428308385.db2.gz SZSHOISRFBBFOT-ZETOZRRWSA-N 2 0 300.368 2.965 20 0 DFADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]CCc1cc(F)c(F)c(F)c1 ZINC000356791513 428309684 /nfs/dbraw/zinc/30/96/84/428309684.db2.gz SZSHOISRFBBFOT-UEKVPHQBSA-N 2 0 300.368 2.965 20 0 DFADRP C[C@H]1[C@@H](NC2CC[NH+](CCc3ccccc3)CC2)CCC[N@@H+]1C ZINC000346795732 428322443 /nfs/dbraw/zinc/32/24/43/428322443.db2.gz MSALCEPUEOZNCQ-PXNSSMCTSA-N 2 0 315.505 2.766 20 0 DFADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1[NH2+]CCc1ccc(F)c(F)c1F ZINC000346801514 428324451 /nfs/dbraw/zinc/32/44/51/428324451.db2.gz SQGYJVUGLKFWKY-UHIISALHSA-N 2 0 300.368 2.965 20 0 DFADRP C[C@@H]([NH2+]C[C@H]1CCCN(Cc2cccnc2)C1)C1CCOCC1 ZINC000378169646 428325942 /nfs/dbraw/zinc/32/59/42/428325942.db2.gz PQMHVIGHNPAIDH-SJLPKXTDSA-N 2 0 317.477 2.698 20 0 DFADRP C[NH+](C)CC1CC[NH+](C[C@H](O)Cc2cccc(Cl)c2)CC1 ZINC000346832122 428336893 /nfs/dbraw/zinc/33/68/93/428336893.db2.gz JKZYGDRWSGCOMA-QGZVFWFLSA-N 2 0 310.869 2.517 20 0 DFADRP Cc1nn(C(C)(C)C)c(C)c1C[N@@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000346832599 428336909 /nfs/dbraw/zinc/33/69/09/428336909.db2.gz LPPJGWASZSFCHY-BHYGNILZSA-N 2 0 304.482 2.814 20 0 DFADRP CCCOc1cc(C[N@@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)ccc1OC ZINC000346831308 428337180 /nfs/dbraw/zinc/33/71/80/428337180.db2.gz XRZZXDCILVAOIT-ARFHVFGLSA-N 2 0 304.434 2.653 20 0 DFADRP C[N@H+](Cc1ccccc1)CC(C)(C)CN1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000346840103 428342551 /nfs/dbraw/zinc/34/25/51/428342551.db2.gz ZIVGZRSTVWGNTF-FHWLQOOXSA-N 2 0 315.505 2.814 20 0 DFADRP COc1ccc(CC2CC[NH+](C[C@H]3CCC[NH2+]C3)CC2)cc1 ZINC000346842257 428343075 /nfs/dbraw/zinc/34/30/75/428343075.db2.gz HVXGJRRJJAQTEZ-SFHVURJKSA-N 2 0 302.462 2.949 20 0 DFADRP CC(C)[N@H+](C)CCC[NH2+]C1CCN(CCC(F)(F)F)CC1 ZINC000356876373 428345194 /nfs/dbraw/zinc/34/51/94/428345194.db2.gz RHGWHOLSQYSAGJ-UHFFFAOYSA-N 2 0 309.420 2.723 20 0 DFADRP CC(C)CSCCC[N@@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@@H]21 ZINC000378248768 428345554 /nfs/dbraw/zinc/34/55/54/428345554.db2.gz ZXGRQFAXQHESDA-IXDOHACOSA-N 2 0 314.539 2.949 20 0 DFADRP C[C@@H]([NH2+]CC[C@@H]1CCCC[N@@H+]1C)c1ccc(-n2ccnn2)cc1 ZINC000342209393 428351015 /nfs/dbraw/zinc/35/10/15/428351015.db2.gz RYGGXTUEVQAWSO-WBVHZDCISA-N 2 0 313.449 2.792 20 0 DFADRP CC(C)c1ccccc1NC(=O)[C@H](C)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000360568714 428352090 /nfs/dbraw/zinc/35/20/90/428352090.db2.gz LGGBZOWPXFZELK-KXBFYZLASA-N 2 0 315.461 2.822 20 0 DFADRP Cc1cc(CN[C@@H]2c3ccccc3CC[C@H]2n2ccnc2)nn1C ZINC000414448386 428301917 /nfs/dbraw/zinc/30/19/17/428301917.db2.gz ZPFFDWZLYMXWEH-RTBURBONSA-N 2 0 321.428 2.943 20 0 DFADRP Cc1cc(CN[C@H]2c3ccccc3CC[C@H]2n2ccnc2)nn1C ZINC000414448383 428302433 /nfs/dbraw/zinc/30/24/33/428302433.db2.gz ZPFFDWZLYMXWEH-MOPGFXCFSA-N 2 0 321.428 2.943 20 0 DFADRP C[C@H](c1ccc(F)cc1)[N@H+](C)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000371426848 428389178 /nfs/dbraw/zinc/38/91/78/428389178.db2.gz ZHPDZFIZOWFFPF-BEFAXECRSA-N 2 0 319.468 2.987 20 0 DFADRP COc1cc(Br)ccc1C[NH2+][C@@H]1CCC[C@H]1C[NH3+] ZINC000414793538 428414553 /nfs/dbraw/zinc/41/45/53/428414553.db2.gz DRJWAWXBUMIRRM-GXFFZTMASA-N 2 0 313.239 2.675 20 0 DFADRP C[C@@H]1C[C@H](CN2CC[NH2+]C[C@@H]2c2cccc(Cl)c2)CC[NH2+]1 ZINC000414739233 428391389 /nfs/dbraw/zinc/39/13/89/428391389.db2.gz PWQQDGLNJVBZAG-CKEIUWERSA-N 2 0 307.869 2.674 20 0 DFADRP CC1(C[NH+]2CCOCC2)CC[NH+](Cc2ccccc2F)CC1 ZINC000378435126 428394971 /nfs/dbraw/zinc/39/49/71/428394971.db2.gz MTEDRPGXFRMQGP-UHFFFAOYSA-N 2 0 306.425 2.760 20 0 DFADRP Cc1cc(C)cc(C[N@H+]2CCC[C@@H](CN3CC[NH+](C)CC3)C2)c1 ZINC000378439100 428395346 /nfs/dbraw/zinc/39/53/46/428395346.db2.gz ZYIRNXIKGJSLHA-IBGZPJMESA-N 2 0 315.505 2.763 20 0 DFADRP C[C@H](c1ccc(F)cc1)[N@@H+]1CCC[C@@H](CN2CC[NH+](C)CC2)C1 ZINC000378436611 428395448 /nfs/dbraw/zinc/39/54/48/428395448.db2.gz QOKZQWSJEJTXHS-SJORKVTESA-N 2 0 319.468 2.846 20 0 DFADRP CCOC(=O)CC[N@H+](C)C1CC[NH+](C2CCC(C)CC2)CC1 ZINC000371502903 428396339 /nfs/dbraw/zinc/39/63/39/428396339.db2.gz CYQICTYBHDJTOE-UHFFFAOYSA-N 2 0 310.482 2.915 20 0 DFADRP c1cc(OCC2CC2)ccc1C[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000414767709 428397186 /nfs/dbraw/zinc/39/71/86/428397186.db2.gz KHAFEMSSBLAPJH-HDICACEKSA-N 2 0 300.446 2.907 20 0 DFADRP Cc1ccccc1-n1nccc1C[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000414764379 428397720 /nfs/dbraw/zinc/39/77/20/428397720.db2.gz DFZDUOUNIFERGU-CALCHBBNSA-N 2 0 310.445 2.612 20 0 DFADRP C[C@@H]([NH3+])[C@@H]1CCC[N@H+](Cc2c[nH]nc2-c2ccc(F)cc2)C1 ZINC000346995622 428399010 /nfs/dbraw/zinc/39/90/10/428399010.db2.gz BOJXOBFIRPJSKT-TZMCWYRMSA-N 2 0 302.397 2.775 20 0 DFADRP OCCC[N@H+](C[C@H]1CCC[NH2+]C1)[C@H]1CCCc2ccccc21 ZINC000346994680 428399162 /nfs/dbraw/zinc/39/91/62/428399162.db2.gz UXRAOQGNIKCXJM-LPHOPBHVSA-N 2 0 302.462 2.748 20 0 DFADRP O[C@@H]1C[NH2+]C[C@@H]1C[NH2+]Cc1ccc(-c2cccc(Cl)c2)s1 ZINC000414775225 428399992 /nfs/dbraw/zinc/39/99/92/428399992.db2.gz BPOKHAYUGFIUJZ-SWLSCSKDSA-N 2 0 322.861 2.738 20 0 DFADRP OCCC[N@H+](C[C@@H]1CCC[NH2+]C1)[C@H]1CCCc2ccccc21 ZINC000346994679 428400199 /nfs/dbraw/zinc/40/01/99/428400199.db2.gz UXRAOQGNIKCXJM-APWZRJJASA-N 2 0 302.462 2.748 20 0 DFADRP c1csc(-c2n[nH]cc2C[N@@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)c1 ZINC000414772178 428400780 /nfs/dbraw/zinc/40/07/80/428400780.db2.gz BGPSAIZRJGXCSZ-UONOGXRCSA-N 2 0 316.474 2.960 20 0 DFADRP c1cn(-c2csc(C[N@@H+]3CCC[C@@H]([C@@H]4CC[NH2+]C4)C3)c2)cn1 ZINC000414774682 428400907 /nfs/dbraw/zinc/40/09/07/428400907.db2.gz FSGXTIAZKHZKAC-HUUCEWRRSA-N 2 0 316.474 2.755 20 0 DFADRP Clc1ccc2ncc(C[N@@H+]3CCC[C@H]([C@H]4CC[NH2+]C4)C3)n2c1 ZINC000414772626 428401517 /nfs/dbraw/zinc/40/15/17/428401517.db2.gz CHSQZDDZFZMYND-KBPBESRZSA-N 2 0 318.852 2.809 20 0 DFADRP CCN(CCC[NH+](CC)CC)C(=O)CC[C@@H]1CCCC[N@@H+]1C ZINC000357130674 428402204 /nfs/dbraw/zinc/40/22/04/428402204.db2.gz XONDDHBMVGVCBN-KRWDZBQOSA-N 2 0 311.514 2.831 20 0 DFADRP CCN(CC)c1ncc(C[N@@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)s1 ZINC000414778564 428403682 /nfs/dbraw/zinc/40/36/82/428403682.db2.gz JCMGGNQXVUGYGD-GJZGRUSLSA-N 2 0 322.522 2.811 20 0 DFADRP [NH3+][C@@H]1CCO[C@H]1C1CC[NH+](Cc2ccsc2Cl)CC1 ZINC000414780307 428405021 /nfs/dbraw/zinc/40/50/21/428405021.db2.gz SQZPOIYJYOWFBN-OLZOCXBDSA-N 2 0 300.855 2.730 20 0 DFADRP CCCc1cccc(C[N@@H+]2C[C@@H](C[NH3+])C3(C2)CCOCC3)c1 ZINC000414776281 428405675 /nfs/dbraw/zinc/40/56/75/428405675.db2.gz GXAZDSZBYCHGIU-GOSISDBHSA-N 2 0 302.462 2.826 20 0 DFADRP CCOCc1cc(C[N@H+](C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)ccc1OC ZINC000347004394 428406319 /nfs/dbraw/zinc/40/63/19/428406319.db2.gz BGXALLNZKXDDJT-JWTNVVGKSA-N 2 0 318.461 2.947 20 0 DFADRP COc1cc(C)c(C[N@@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)cc1OC ZINC000414784882 428407738 /nfs/dbraw/zinc/40/77/38/428407738.db2.gz RSCUHGWXTARQPZ-HZPDHXFCSA-N 2 0 318.461 2.834 20 0 DFADRP COc1cc(C)c(C[N@@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)c(C)n1 ZINC000414789667 428410607 /nfs/dbraw/zinc/41/06/07/428410607.db2.gz YKSSZUSSGNTWQL-CVEARBPZSA-N 2 0 303.450 2.529 20 0 DFADRP c1cc(C[N@@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)c2c(c1)OCCCO2 ZINC000414787196 428410882 /nfs/dbraw/zinc/41/08/82/428410882.db2.gz VIQBMQMDLXXSDA-HZPDHXFCSA-N 2 0 316.445 2.669 20 0 DFADRP CCc1ccccc1NC(=O)C[C@H](C)[NH2+][C@H]1CCC[C@H]1C[NH3+] ZINC000414794151 428412320 /nfs/dbraw/zinc/41/23/20/428412320.db2.gz FHDSCWPHMDAQMJ-QRTARXTBSA-N 2 0 303.450 2.683 20 0 DFADRP CC(C)(C)c1ncc(C[NH+]2CCC([C@@H]3OCC[C@H]3[NH3+])CC2)s1 ZINC000414794676 428412691 /nfs/dbraw/zinc/41/26/91/428412691.db2.gz VMWLFAOFAUXURH-CABCVRRESA-N 2 0 323.506 2.769 20 0 DFADRP COc1ccc(C[N@@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)c(OC)c1 ZINC000414790097 428413126 /nfs/dbraw/zinc/41/31/26/428413126.db2.gz ZLEDZNBCYRDCIR-CABCVRRESA-N 2 0 304.434 2.525 20 0 DFADRP C[C@H]([NH2+]C[C@@H]1CN2CCCC[C@H]2CO1)c1ccc(F)c(F)c1 ZINC000378310434 428360362 /nfs/dbraw/zinc/36/03/62/428360362.db2.gz JTVVVKHHIPSBGX-AEGPPILISA-N 2 0 310.388 2.869 20 0 DFADRP CC(C)(C)[N@@H+]1CC[C@](F)(c2nc(-c3ccc(C[NH3+])cc3)no2)C1 ZINC000414652834 428364648 /nfs/dbraw/zinc/36/46/48/428364648.db2.gz WREWXGXLXCKHLG-QGZVFWFLSA-N 2 0 318.396 2.864 20 0 DFADRP CC1(C)Cc2cc(C[N@@H+]3C[C@@H]4CCC[C@H]([NH3+])[C@@H]4C3)ccc2O1 ZINC000414676039 428372358 /nfs/dbraw/zinc/37/23/58/428372358.db2.gz UQTZPWBAXMFDSM-UAGQMJEPSA-N 2 0 300.446 2.959 20 0 DFADRP Cc1ccccc1CN1CC[NH+](C[C@@H]2CC[NH2+][C@H](C)C2)CC1 ZINC000414684450 428377024 /nfs/dbraw/zinc/37/70/24/428377024.db2.gz VSHXEXCOUJJUMX-QZTJIDSGSA-N 2 0 301.478 2.501 20 0 DFADRP Cc1cccc(NC[C@@H]2CC[N@@H+](C[C@@H]3CC[NH2+][C@H](C)C3)C2)n1 ZINC000414702475 428382133 /nfs/dbraw/zinc/38/21/33/428382133.db2.gz XHYJIQZFQQAGOW-ZACQAIPSSA-N 2 0 302.466 2.512 20 0 DFADRP Cc1cccc(NC[C@@H]2CC[N@@H+](C[C@H]3CC[NH2+][C@H](C)C3)C2)n1 ZINC000414702473 428382153 /nfs/dbraw/zinc/38/21/53/428382153.db2.gz XHYJIQZFQQAGOW-IKGGRYGDSA-N 2 0 302.466 2.512 20 0 DFADRP CC[N@H+](C[C@@H]1CC[NH2+][C@H](C)C1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000414714464 428383274 /nfs/dbraw/zinc/38/32/74/428383274.db2.gz PUDBVPMYFLIXIC-MISYRCLQSA-N 2 0 315.505 2.971 20 0 DFADRP [NH3+]CC(=O)N1CCC[C@H](C[N@@H+]2CCC[C@@H]2CCC2CCCC2)C1 ZINC000414715436 428386267 /nfs/dbraw/zinc/38/62/67/428386267.db2.gz WUGCARZAYWNWCL-QZTJIDSGSA-N 2 0 321.509 2.619 20 0 DFADRP CCOc1ccc(C[NH2+][C@@H](C)[C@H]2CCC[NH2+]C2)cc1OCC ZINC000414854686 428435335 /nfs/dbraw/zinc/43/53/35/428435335.db2.gz MEYILUZGYVCMBW-HOCLYGCPSA-N 2 0 306.450 2.962 20 0 DFADRP C[C@@H](Cc1ccc(Br)c(F)c1)[NH2+][C@H]1CCCNC1 ZINC000414866457 428439156 /nfs/dbraw/zinc/43/91/56/428439156.db2.gz MXMCPKDZAGSWSI-JQWIXIFHSA-N 2 0 315.230 2.861 20 0 DFADRP COc1cccc(CN2C[C@@H]3C[N@@H+]4CCCC[C@H]4[C@H]3C2)c1OC ZINC000360792446 428440617 /nfs/dbraw/zinc/44/06/17/428440617.db2.gz VSIYAQGMLPYRCC-IKGGRYGDSA-N 2 0 316.445 2.620 20 0 DFADRP Cc1cccn2c(CN3C[C@@H]4C[N@@H+]5CCCC[C@@H]5[C@H]4C3)cnc12 ZINC000360790187 428440867 /nfs/dbraw/zinc/44/08/67/428440867.db2.gz BSTKEGZCDLQMCD-BPQIPLTHSA-N 2 0 310.445 2.559 20 0 DFADRP C[C@@H](Cc1ccc(Br)cc1F)[NH2+]CC1([NH3+])CCC1 ZINC000414878604 428441154 /nfs/dbraw/zinc/44/11/54/428441154.db2.gz OKCKBVFEUAYUJM-JTQLQIEISA-N 2 0 315.230 2.990 20 0 DFADRP CC(C)C[C@H](CO)[NH2+][C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000357224953 428443641 /nfs/dbraw/zinc/44/36/41/428443641.db2.gz BZGCVAFMKFDBLW-QXAKKESOSA-N 2 0 304.478 2.894 20 0 DFADRP CC(C)c1ccc(NC(=O)C[C@H](C)[NH2+]C[C@@H]([NH3+])C2CC2)cc1 ZINC000414881399 428444573 /nfs/dbraw/zinc/44/45/73/428444573.db2.gz AIWIEYBRXVGBHN-SUMWQHHRSA-N 2 0 303.450 2.854 20 0 DFADRP CCOc1c(OC)cc(C[NH+]2CCC([C@@H](C)[NH3+])CC2)cc1OC ZINC000347098838 428445046 /nfs/dbraw/zinc/44/50/46/428445046.db2.gz ITNMFSANZZTQLE-CYBMUJFWSA-N 2 0 322.449 2.662 20 0 DFADRP COc1cc(Br)ccc1CN1CCC[C@@H](C[NH3+])C1 ZINC000347105754 428446890 /nfs/dbraw/zinc/44/68/90/428446890.db2.gz NEHZGEUEKWAKCB-NSHDSACASA-N 2 0 313.239 2.628 20 0 DFADRP [NH3+][C@H](CNC1CC[NH+](Cc2ccc(Cl)cc2)CC1)C1CC1 ZINC000414888005 428447434 /nfs/dbraw/zinc/44/74/34/428447434.db2.gz JMCHUFZOGIDAQU-QGZVFWFLSA-N 2 0 307.869 2.631 20 0 DFADRP C[C@H](O)C[NH+]1CCC(C[N@H+](C)Cc2nc(C3CC3)cs2)CC1 ZINC000342759266 428448235 /nfs/dbraw/zinc/44/82/35/428448235.db2.gz XPCFKDYRLJSMNT-ZDUSSCGKSA-N 2 0 323.506 2.545 20 0 DFADRP c1nc(C2CC[NH+](CCOC3CCC3)CC2)n2c1CCCC2 ZINC000347108958 428448515 /nfs/dbraw/zinc/44/85/15/428448515.db2.gz OJVUDYRSPMPZII-UHFFFAOYSA-N 2 0 303.450 2.968 20 0 DFADRP CC(C)[C@H](O)CC[NH2+][C@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000357233892 428448690 /nfs/dbraw/zinc/44/86/90/428448690.db2.gz RTCMSXNABMUYKB-NZSAHSFTSA-N 2 0 304.478 2.894 20 0 DFADRP C[C@H](CC[NH3+])[NH2+]Cc1cc(Cl)ccc1OC[C@H]1CCCO1 ZINC000414899471 428449923 /nfs/dbraw/zinc/44/99/23/428449923.db2.gz USPGJJRPHVPRAO-IUODEOHRSA-N 2 0 312.841 2.725 20 0 DFADRP C[C@@H]1C[N@H+](Cc2cccc(OCC(F)(F)F)c2)CC[C@@H]1[NH3+] ZINC000347108380 428450035 /nfs/dbraw/zinc/45/00/35/428450035.db2.gz MRXPOVGVDUYDIP-RISCZKNCSA-N 2 0 302.340 2.797 20 0 DFADRP CC(C)[C@@H]([NH3+])CC(=O)NC[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000379655312 428450462 /nfs/dbraw/zinc/45/04/62/428450462.db2.gz LLCUFQLWCSCUJD-MSOLQXFVSA-N 2 0 317.477 2.531 20 0 DFADRP CCO[C@@H]1C[C@H]([NH2+]C2CC[NH+](C3CCCCC3)CC2)[C@@H]1OC ZINC000357239148 428451030 /nfs/dbraw/zinc/45/10/30/428451030.db2.gz RHHJXCGVLALKOE-KSZLIROESA-N 2 0 310.482 2.566 20 0 DFADRP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NC[C@@]2(C)CCC[NH2+]C2)C1 ZINC000414902370 428451415 /nfs/dbraw/zinc/45/14/15/428451415.db2.gz HFMUECPDORAXIN-QRQLOZEOSA-N 2 0 301.478 2.801 20 0 DFADRP OCc1ccc(C[NH2+]C[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000380964545 428454188 /nfs/dbraw/zinc/45/41/88/428454188.db2.gz XZTBKYYVYZEXMY-FQEVSTJZSA-N 2 0 310.441 2.791 20 0 DFADRP Cc1ccc(NC(=O)C[C@@H](C)[NH2+]C[C@]2(C)CCC[NH2+]C2)c(C)c1 ZINC000414920519 428456904 /nfs/dbraw/zinc/45/69/04/428456904.db2.gz ZOKXWMXFSKIXNV-VQIMIIECSA-N 2 0 317.477 3.000 20 0 DFADRP Cn1cc(-c2ccc(C[NH2+]C[C@]3(C)CCC[NH2+]C3)s2)cn1 ZINC000414918455 428457077 /nfs/dbraw/zinc/45/70/77/428457077.db2.gz UKOCOVQCYIJBBU-MRXNPFEDSA-N 2 0 304.463 2.628 20 0 DFADRP Cc1ccc(NC(=O)C[C@@H](C)[NH2+]C[C@H]2CC[NH2+]C2)cc1Cl ZINC000414916207 428457271 /nfs/dbraw/zinc/45/72/71/428457271.db2.gz PBBSHMQEFPIHHK-OLZOCXBDSA-N 2 0 309.841 2.565 20 0 DFADRP CCCN(CC[NH+]1CCCCC1)C(=O)C1CC[NH+](C(C)C)CC1 ZINC000342792731 428458631 /nfs/dbraw/zinc/45/86/31/428458631.db2.gz XLGGPRBBXPNCNY-UHFFFAOYSA-N 2 0 323.525 2.831 20 0 DFADRP [NH3+][C@@H]1CCC[C@@H]([NH2+]Cc2ccc(Br)cc2F)C1 ZINC000414927984 428459695 /nfs/dbraw/zinc/45/96/95/428459695.db2.gz PSNGIMFBGVZFAW-VXGBXAGGSA-N 2 0 301.203 2.948 20 0 DFADRP Cc1ccc(NC(=O)C[C@H](C)[NH2+][C@@H]2CC[NH2+]C[C@H]2C)c(Cl)c1 ZINC000414940900 428462020 /nfs/dbraw/zinc/46/20/20/428462020.db2.gz KZBQVRNORHGXJW-VNHYZAJKSA-N 2 0 323.868 2.953 20 0 DFADRP CC[NH+](CC)CCOCC[NH2+][C@@H]1CCCC[C@H]1[C@@H]1CCOC1 ZINC000353272677 428462454 /nfs/dbraw/zinc/46/24/54/428462454.db2.gz OYZILEQFATZDSV-FGTMMUONSA-N 2 0 312.498 2.530 20 0 DFADRP COc1cc(C)c(C[NH+]2CCC([C@H]3CCC[NH2+]3)CC2)c(C)n1 ZINC000347136126 428463015 /nfs/dbraw/zinc/46/30/15/428463015.db2.gz UABUPNOKSUQEKC-QGZVFWFLSA-N 2 0 303.450 2.671 20 0 DFADRP COCCCCC[N@H+](C)C[C@@H]1CCN(C)[C@H]1c1cccnc1 ZINC000372573740 428466533 /nfs/dbraw/zinc/46/65/33/428466533.db2.gz MSIWTOVFCLBDGK-ROUUACIJSA-N 2 0 305.466 2.823 20 0 DFADRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+][C@@H]1C[C@@H](c2ccccc2)[C@H]1C ZINC000372107732 428414753 /nfs/dbraw/zinc/41/47/53/428414753.db2.gz HZMKLQDKBDNQCF-HNBVOPMISA-N 2 0 315.505 2.794 20 0 DFADRP c1ccc(C2CCC(C[NH2+]CCCN3CC[NH2+]CC3)CC2)cc1 ZINC000414801772 428416061 /nfs/dbraw/zinc/41/60/61/428416061.db2.gz UTTIGWUFRVOUIU-UHFFFAOYSA-N 2 0 315.505 2.845 20 0 DFADRP Cc1ccc(Cl)cc1NC(=O)C[C@@H](C)[NH2+]C[C@@H]([NH3+])C(C)C ZINC000414803380 428416727 /nfs/dbraw/zinc/41/67/27/428416727.db2.gz WQHCSAHJZLDGAN-TZMCWYRMSA-N 2 0 311.857 2.938 20 0 DFADRP CC[NH+](CC)CCC[C@H](C)NC(=O)C1C[C@H]2CCC[C@@H](C1)C2[NH3+] ZINC000357173391 428417817 /nfs/dbraw/zinc/41/78/17/428417817.db2.gz JYRFGFQRHMNDDC-HYLCPLCXSA-N 2 0 323.525 2.767 20 0 DFADRP Cc1cccc(NC(=O)C[C@H](C)[NH2+][C@@H]2CCC[C@@H]2C[NH3+])c1C ZINC000414809004 428417904 /nfs/dbraw/zinc/41/79/04/428417904.db2.gz SZYMIXDPALXEKP-YSVLISHTSA-N 2 0 303.450 2.738 20 0 DFADRP CCC([NH3+])(CC)C[NH2+][C@@H](C)CC(=O)Nc1cccc(OC)c1 ZINC000414810018 428418805 /nfs/dbraw/zinc/41/88/05/428418805.db2.gz NGRZLKUTVDAJRV-ZDUSSCGKSA-N 2 0 307.438 2.519 20 0 DFADRP CCc1noc(C)c1C[NH+]1CCC(OCC[NH+](CC)CC)CC1 ZINC000342368830 428420357 /nfs/dbraw/zinc/42/03/57/428420357.db2.gz ILHDVHZYKCYHKG-UHFFFAOYSA-N 2 0 323.481 2.868 20 0 DFADRP [NH3+]C[C@H](NCc1ccc(Br)c(Cl)c1)C1CC1 ZINC000414814747 428421219 /nfs/dbraw/zinc/42/12/19/428421219.db2.gz RVKUPTGUVMPRRB-LBPRGKRZSA-N 2 0 303.631 2.929 20 0 DFADRP C[C@H]([NH3+])CC[NH2+]Cc1ccc(OC(F)F)c(Br)c1 ZINC000414821191 428421586 /nfs/dbraw/zinc/42/15/86/428421586.db2.gz KYMCCDSUJITUIQ-QMMMGPOBSA-N 2 0 323.181 2.877 20 0 DFADRP CCc1ccccc1NC(=O)C[C@@H](C)[NH2+]C[C@@H]1CCC[NH2+]C1 ZINC000414826900 428423718 /nfs/dbraw/zinc/42/37/18/428423718.db2.gz JXYREXZNOCAZNN-HUUCEWRRSA-N 2 0 303.450 2.555 20 0 DFADRP CCOCc1cc(C[N@@H+]2CCC[C@@H]([C@H](C)[NH3+])C2)ccc1OC ZINC000347053548 428426418 /nfs/dbraw/zinc/42/64/18/428426418.db2.gz SNMMOPQDOHPRLF-GOEBONIOSA-N 2 0 306.450 2.791 20 0 DFADRP C[NH2+]C[C@@H](C)C[NH2+][C@H](C)Cc1ccc(Br)cc1F ZINC000414831576 428426730 /nfs/dbraw/zinc/42/67/30/428426730.db2.gz DDYCXGOCLUWXOC-GHMZBOCLSA-N 2 0 317.246 2.964 20 0 DFADRP Fc1cccc(Br)c1C[NH2+]CC[C@H]1CC[NH2+]C1 ZINC000414832294 428427559 /nfs/dbraw/zinc/42/75/59/428427559.db2.gz OKWNGMJUGXEZLE-SNVBAGLBSA-N 2 0 301.203 2.677 20 0 DFADRP C[C@@H]([NH2+]Cc1cnc(-c2ccccn2)s1)[C@@H]1CCC[NH2+]C1 ZINC000414843947 428429488 /nfs/dbraw/zinc/42/94/88/428429488.db2.gz CEYBNFLRXBVSKE-CHWSQXEVSA-N 2 0 302.447 2.683 20 0 DFADRP C[C@H](c1ccccc1)N1CC[C@H]([NH2+]CC[C@H]2CCC[NH2+]C2)C1 ZINC000414838069 428430842 /nfs/dbraw/zinc/43/08/42/428430842.db2.gz KSFDHEFAPHOYOF-LMMKCTJWSA-N 2 0 301.478 2.801 20 0 DFADRP Fc1cc(C[NH2+]CC[C@@H]2CC[NH2+]C2)ccc1OCC(F)(F)F ZINC000414837192 428431074 /nfs/dbraw/zinc/43/10/74/428431074.db2.gz UJNAHTXZYHMVMP-NSHDSACASA-N 2 0 320.330 2.856 20 0 DFADRP C[C@H]([NH2+]Cc1ccc(OC[C@H]2CCCO2)cc1)[C@@H]1CCC[NH2+]C1 ZINC000414850920 428431909 /nfs/dbraw/zinc/43/19/09/428431909.db2.gz ITUHXLAFDJLIRR-KVSKMBFKSA-N 2 0 318.461 2.722 20 0 DFADRP CCC[N@H+](Cc1cc(-n2ccnc2)cs1)C1CC[NH2+]CC1 ZINC000347072499 428432854 /nfs/dbraw/zinc/43/28/54/428432854.db2.gz QYOJUCUODOHULE-UHFFFAOYSA-N 2 0 304.463 2.898 20 0 DFADRP CC(C)C[C@@H](C)C[C@@H](C)[NH2+][C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1 ZINC000414984062 428480062 /nfs/dbraw/zinc/48/00/62/428480062.db2.gz FSASJAIVMKPOGW-LFEHRJTNSA-N 2 0 323.525 2.684 20 0 DFADRP C[N@H+]1CC=C(C[NH2+][C@@H]2CCC[C@@H](NC(=O)OC(C)(C)C)C2)CC1 ZINC000392196586 428481825 /nfs/dbraw/zinc/48/18/25/428481825.db2.gz DGQUMGAMOOATEW-HZPDHXFCSA-N 2 0 323.481 2.674 20 0 DFADRP [NH3+][C@H]1CCC[C@@H](C[NH2+]Cc2cc(O)ccc2Br)C1 ZINC000414991757 428481765 /nfs/dbraw/zinc/48/17/65/428481765.db2.gz JPRBVRPLTCQQEK-PWSUYJOCSA-N 2 0 313.239 2.762 20 0 DFADRP Brc1ccsc1C[NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000415003062 428485613 /nfs/dbraw/zinc/48/56/13/428485613.db2.gz FJKPKZISVDWTFZ-CMPLNLGQSA-N 2 0 315.280 2.988 20 0 DFADRP Cn1c2cc(Cl)ccc2nc1C[NH2+]C[C@H]1CCC[C@@H]([NH3+])C1 ZINC000414998172 428485694 /nfs/dbraw/zinc/48/56/94/428485694.db2.gz IAFPZAUJAUTDRE-WCQYABFASA-N 2 0 306.841 2.834 20 0 DFADRP [NH3+][C@@H]1CCC[C@H](C[NH2+]Cc2csc(-c3ccccn3)n2)C1 ZINC000414999354 428485809 /nfs/dbraw/zinc/48/58/09/428485809.db2.gz RSPJJSBCQZMZNZ-QWHCGFSZSA-N 2 0 302.447 2.812 20 0 DFADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@@H]2Cc3ccccc3N(C)C2)[C@@H](C)C1 ZINC000372682028 428486982 /nfs/dbraw/zinc/48/69/82/428486982.db2.gz LJKYGUAIXGHEDX-BQFCYCMXSA-N 2 0 301.478 2.615 20 0 DFADRP COc1cc(C[NH2+]C[C@H]2CCC[C@H]([NH3+])C2)ccc1OC(F)F ZINC000415005948 428487593 /nfs/dbraw/zinc/48/75/93/428487593.db2.gz ZOEVVXBNOKYVAW-AAEUAGOBSA-N 2 0 314.376 2.904 20 0 DFADRP CC(C)C[C@H]([NH2+][C@H](C)c1cccc(F)c1)C(=O)NCC[NH+](C)C ZINC000347193856 428488505 /nfs/dbraw/zinc/48/85/05/428488505.db2.gz JKUIMPXYDLZRNW-PBHICJAKSA-N 2 0 323.456 2.569 20 0 DFADRP C[C@@H]1C[NH+](CCC2CC[NH+](C[C@@H]3CCCOC3)CC2)C[C@@H](C)O1 ZINC000342922422 428490511 /nfs/dbraw/zinc/49/05/11/428490511.db2.gz WHDFEYCMHUOQJQ-LMMKCTJWSA-N 2 0 324.509 2.624 20 0 DFADRP C[C@H](Cc1ccc(Br)cc1F)[NH2+][C@H](C)[C@H](C)[NH3+] ZINC000415023286 428491079 /nfs/dbraw/zinc/49/10/79/428491079.db2.gz WNTMETLMVSGETL-KXUCPTDWSA-N 2 0 303.219 2.845 20 0 DFADRP CCn1nc(C[NH2+]C[C@H]2CC[C@H](C[NH3+])CC2)c2ccccc21 ZINC000415019213 428491375 /nfs/dbraw/zinc/49/13/75/428491375.db2.gz DMQHDAHDLVRLJE-SHTZXODSSA-N 2 0 300.450 2.911 20 0 DFADRP CCOc1cc(C[NH2+][C@@H](C)CCC[NH3+])ccc1OC(F)F ZINC000415028540 428494092 /nfs/dbraw/zinc/49/40/92/428494092.db2.gz YRDDYAXSPCMWRC-NSHDSACASA-N 2 0 302.365 2.904 20 0 DFADRP C[N@@H+](Cc1ccc(F)cn1)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000372730443 428496170 /nfs/dbraw/zinc/49/61/70/428496170.db2.gz WVUFOGCMWPQYIO-UHFFFAOYSA-N 2 0 314.408 2.964 20 0 DFADRP Fc1ccc(/C=C/C[NH2+]C2CCC([NH+]3CCNCC3)CC2)cc1 ZINC000415046658 428497643 /nfs/dbraw/zinc/49/76/43/428497643.db2.gz CZURDSOXHSVMLA-OWOJBTEDSA-N 2 0 317.452 2.645 20 0 DFADRP Clc1ccccc1[C@@H]1CCC[C@H]1[NH2+]C[C@H]1C[NH2+]CCCO1 ZINC000415046236 428498562 /nfs/dbraw/zinc/49/85/62/428498562.db2.gz URUQTFAHDAYJMG-UKPHBRMFSA-N 2 0 308.853 2.944 20 0 DFADRP C[C@H]1C[C@@H](c2ccccc2)C[C@@H]([NH2+]C[C@@H]2C[NH2+]CCCO2)C1 ZINC000415041581 428498908 /nfs/dbraw/zinc/49/89/08/428498908.db2.gz PMVGKYFICYGNNJ-NQYYFHDYSA-N 2 0 302.462 2.927 20 0 DFADRP COC(=O)c1coc(C[NH2+][C@@H](CCC[NH3+])c2ccccc2)c1 ZINC000415051407 428500788 /nfs/dbraw/zinc/50/07/88/428500788.db2.gz JPYYPILPUZXMLC-INIZCTEOSA-N 2 0 302.374 2.636 20 0 DFADRP C[C@H]1C[C@@H](N[C@H]2CCC[NH2+][C@H]2C)CC[N@@H+]1Cc1ccccc1 ZINC000396622637 428501192 /nfs/dbraw/zinc/50/11/92/428501192.db2.gz VGNBOPACNOYJAK-CAMMJAKZSA-N 2 0 301.478 2.770 20 0 DFADRP C[C@@H](C[NH2+]C1CCC([NH+]2CCNCC2)CC1)Cc1ccccc1 ZINC000415059614 428502945 /nfs/dbraw/zinc/50/29/45/428502945.db2.gz VCBPNQRCCBOQES-QHGAOEGBSA-N 2 0 315.505 2.671 20 0 DFADRP Cc1cc(C)n2c(C[NH2+][C@H](CCC[NH3+])c3ccccc3)cnc2n1 ZINC000415060286 428505798 /nfs/dbraw/zinc/50/57/98/428505798.db2.gz WERHHXPRLWRLMP-GOSISDBHSA-N 2 0 323.444 2.916 20 0 DFADRP Fc1cccc(F)c1-c1n[nH]cc1C[NH2+]CCC[NH2+]C1CC1 ZINC000415065379 428506640 /nfs/dbraw/zinc/50/66/40/428506640.db2.gz FZQDAXIATWTBHU-UHFFFAOYSA-N 2 0 306.360 2.587 20 0 DFADRP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1NCC(=O)N1CCC[C@H](C)C1 ZINC000360955822 428507416 /nfs/dbraw/zinc/50/74/16/428507416.db2.gz DGSXFRIDNGQIAD-BZSNNMDCSA-N 2 0 323.525 2.735 20 0 DFADRP [NH3+]CCC[C@@H]([NH2+]Cc1ccc(-n2cncn2)cc1)c1ccccc1 ZINC000415062123 428507455 /nfs/dbraw/zinc/50/74/55/428507455.db2.gz ZSHCZXRZTWSZHH-LJQANCHMSA-N 2 0 321.428 2.837 20 0 DFADRP C[C@H](C[NH2+]C1CCC([NH+]2CCNCC2)CC1)c1ccc(F)cc1 ZINC000415061095 428507716 /nfs/dbraw/zinc/50/77/16/428507716.db2.gz XXMACZOVHRMEMU-VNCLNFNDSA-N 2 0 319.468 2.735 20 0 DFADRP C[C@@H]1C[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C2CCCC2)C[N@@H+]1C1CC1 ZINC000372967065 428508061 /nfs/dbraw/zinc/50/80/61/428508061.db2.gz SWWJDLFHQYTAHK-RKVPGOIHSA-N 2 0 319.493 2.525 20 0 DFADRP C[C@@H]1C[C@@H](C)C[NH+](CCCNCc2cn(C)nc2C(F)F)C1 ZINC000360956257 428508973 /nfs/dbraw/zinc/50/89/73/428508973.db2.gz UKXPSINGCLMQPY-CHWSQXEVSA-N 2 0 314.424 2.815 20 0 DFADRP Fc1ccc(OCC[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)c(F)c1 ZINC000415074882 428509269 /nfs/dbraw/zinc/50/92/69/428509269.db2.gz AYDBPFPXAXMCGG-IMJJTQAJSA-N 2 0 310.388 2.854 20 0 DFADRP CC[C@@H](Cc1ccc(OC)c(OC)c1)[NH2+][C@@H]1CCCC[NH2+]C1 ZINC000415069893 428510772 /nfs/dbraw/zinc/51/07/72/428510772.db2.gz PKTPPKYBGDYICQ-JKSUJKDBSA-N 2 0 306.450 2.757 20 0 DFADRP CC[C@H](Cc1ccc(OC)c(OC)c1)[NH2+][C@H]1CCCC[NH2+]C1 ZINC000415069889 428510825 /nfs/dbraw/zinc/51/08/25/428510825.db2.gz PKTPPKYBGDYICQ-CVEARBPZSA-N 2 0 306.450 2.757 20 0 DFADRP C[C@@H]1C[C@@H](C)[N@H+](CCC(=O)Nc2ccccc2Cl)C[C@@H]1C[NH3+] ZINC000397338207 428510774 /nfs/dbraw/zinc/51/07/74/428510774.db2.gz CLDUSZJNSPYPAX-MCIONIFRSA-N 2 0 323.868 2.974 20 0 DFADRP Cc1nnsc1C[NH2+]CC1CC[NH+](Cc2ccccc2)CC1 ZINC000397487098 428511407 /nfs/dbraw/zinc/51/14/07/428511407.db2.gz DBZQRWZOBMSWAT-UHFFFAOYSA-N 2 0 316.474 2.848 20 0 DFADRP CC(C)n1cnnc1[C@@H]1CCC[N@H+](CC[C@H]2CCC[NH+]2C)C1 ZINC000357392413 428511363 /nfs/dbraw/zinc/51/13/63/428511363.db2.gz SWONOUOJXWTPAW-HZPDHXFCSA-N 2 0 305.470 2.523 20 0 DFADRP C[C@@H]([NH2+]CCc1ccccc1OC(F)(F)F)[C@H]1CC[NH2+]C1 ZINC000415078886 428512251 /nfs/dbraw/zinc/51/22/51/428512251.db2.gz HBZPNEMUTPIEPI-YPMHNXCESA-N 2 0 302.340 2.715 20 0 DFADRP C[C@H]([NH2+]CC1(O)CC[NH+](Cc2ccccc2)CC1)C1(C)CC1 ZINC000397484310 428512496 /nfs/dbraw/zinc/51/24/96/428512496.db2.gz ACWJOVLJPUWJEM-INIZCTEOSA-N 2 0 302.462 2.792 20 0 DFADRP Cc1cc(C)n(-c2ccccc2C[NH2+]C[C@@H]2CC[NH2+][C@H](C)C2)n1 ZINC000415081426 428512687 /nfs/dbraw/zinc/51/26/87/428512687.db2.gz BVJZUJAINPXZDY-RHSMWYFYSA-N 2 0 312.461 2.967 20 0 DFADRP C[C@H](C[C@H]1CCC[NH2+]1)[NH2+]C1CCN([C@@H](C)c2ccncc2)CC1 ZINC000415079168 428512937 /nfs/dbraw/zinc/51/29/37/428512937.db2.gz HSASFWCMPXOWOD-JTDSTZFVSA-N 3 0 316.493 2.727 20 0 DFADRP C[C@@H]1C[C@H](C[NH2+][C@@H]2CCO[C@H]2c2ccc(F)c(F)c2)CC[NH2+]1 ZINC000415085593 428514772 /nfs/dbraw/zinc/51/47/72/428514772.db2.gz ILFFRMZADBSQDU-SKNMWMDOSA-N 2 0 310.388 2.773 20 0 DFADRP Clc1ccccc1N1CCC[C@H]([NH2+]C[C@H]2CCC[NH2+]C2)C1 ZINC000415085203 428515328 /nfs/dbraw/zinc/51/53/28/428515328.db2.gz QMQRHZFDBAZUMC-GJZGRUSLSA-N 2 0 307.869 2.898 20 0 DFADRP c1sc(CCC[NH2+]C[C@@H]2CCC[NH2+]C2)nc1-c1ccncc1 ZINC000415088623 428516367 /nfs/dbraw/zinc/51/63/67/428516367.db2.gz WJCHLLOVZUFXSU-CQSZACIVSA-N 2 0 316.474 2.727 20 0 DFADRP C[C@H]([NH2+]C1CC[NH2+]CC1)[C@H](OC1CCOCC1)c1ccccc1 ZINC000415087823 428516641 /nfs/dbraw/zinc/51/66/41/428516641.db2.gz VASUIDILOVZOHE-KXBFYZLASA-N 2 0 318.461 2.653 20 0 DFADRP C[C@@]1(C[NH2+]CCCc2nc(-c3ccncc3)cs2)CC[NH2+]C1 ZINC000415088232 428516733 /nfs/dbraw/zinc/51/67/33/428516733.db2.gz VVMLBKFSMBIAQQ-KRWDZBQOSA-N 2 0 316.474 2.727 20 0 DFADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1N[C@@H]1CCC[NH2+][C@@H]1C ZINC000398113437 428517679 /nfs/dbraw/zinc/51/76/79/428517679.db2.gz DVDTXPIMNNXKQT-ZAWLATJESA-N 2 0 301.478 2.627 20 0 DFADRP C[C@@H]([NH2+]C[C@@H]1CC[NH2+][C@H](C)C1)c1nc(-c2cccc(F)c2)no1 ZINC000415094032 428519838 /nfs/dbraw/zinc/51/98/38/428519838.db2.gz DEHJXYZLGWMUSP-JHJVBQTASA-N 2 0 318.396 2.914 20 0 DFADRP CCOC(=O)[C@@]1(C(C)C)CC[N@H+](CC[C@@H]2CCCC[NH+]2C)C1 ZINC000373183216 428521476 /nfs/dbraw/zinc/52/14/76/428521476.db2.gz OUKGZSFBHZQROD-WMZOPIPTSA-N 2 0 310.482 2.772 20 0 DFADRP CC(C)CCOc1ccc(CN2CCCO[C@@H](C[NH3+])C2)cc1 ZINC000415112806 428524102 /nfs/dbraw/zinc/52/41/02/428524102.db2.gz QUSASJZBMDXOKV-SFHVURJKSA-N 2 0 306.450 2.661 20 0 DFADRP C[C@]1(C[NH+]2CCC3(CC2)OCCc2ccccc23)CC[NH2+]C1 ZINC000415108808 428524980 /nfs/dbraw/zinc/52/49/80/428524980.db2.gz QMPUHKOXVJYJAE-SFHVURJKSA-N 2 0 300.446 2.550 20 0 DFADRP COc1cc(OC)cc(Oc2ccc(CN(C)CC[NH3+])cc2)c1 ZINC000415113933 428524991 /nfs/dbraw/zinc/52/49/91/428524991.db2.gz USBKWTSPQGPIAB-UHFFFAOYSA-N 2 0 316.401 2.887 20 0 DFADRP C[C@@H]1C[C@@H](C[NH2+]CCc2nc(-c3ccccn3)cs2)CC[NH2+]1 ZINC000415119173 428527282 /nfs/dbraw/zinc/52/72/82/428527282.db2.gz XCFQSSNGHGJTFH-KGLIPLIRSA-N 2 0 316.474 2.725 20 0 DFADRP FC(F)(F)[C@@H]1CC[N@H+](CC2CC[NH2+]CC2)CC12CCOCC2 ZINC000415117938 428527548 /nfs/dbraw/zinc/52/75/48/428527548.db2.gz XOGPYZJCMHMYTI-CQSZACIVSA-N 2 0 320.399 2.667 20 0 DFADRP CN1CC[NH+](CC2(C)CC[NH+](CCC3CCCC3)CC2)CC1 ZINC000373253505 428528942 /nfs/dbraw/zinc/52/89/42/428528942.db2.gz ANYHIPSOSJKYIE-UHFFFAOYSA-N 2 0 307.526 2.916 20 0 DFADRP CCOc1ccccc1C[NH+]1CCC([C@@H]2C[C@H]([NH3+])CCO2)CC1 ZINC000415122001 428529599 /nfs/dbraw/zinc/52/95/99/428529599.db2.gz JBGCYUSNIRUXAT-MJGOQNOKSA-N 2 0 318.461 2.804 20 0 DFADRP NC1(C[NH2+]Cc2cccs2)CC[NH+](Cc2ccccc2)CC1 ZINC000415123840 428529790 /nfs/dbraw/zinc/52/97/90/428529790.db2.gz BINGEOMUZWSUQV-UHFFFAOYSA-N 2 0 315.486 2.831 20 0 DFADRP C[C@H]1CCCC[N@@H+]1Cc1ccccc1CN[C@@H]1CCC[NH2+]C1 ZINC000415123648 428529905 /nfs/dbraw/zinc/52/99/05/428529905.db2.gz PYXNMUBHQCEYQD-QFBILLFUSA-N 2 0 301.478 2.903 20 0 DFADRP COc1ccc(C[NH+]2CCC([C@@H]3C[C@H]([NH3+])CCO3)CC2)cc1C ZINC000415123556 428530377 /nfs/dbraw/zinc/53/03/77/428530377.db2.gz LFBPKFKRTDZZLM-MJGOQNOKSA-N 2 0 318.461 2.722 20 0 DFADRP Cc1cc(C[NH2+][C@H]2CC[NH2+]C[C@H]2C)sc1Br ZINC000414953809 428471216 /nfs/dbraw/zinc/47/12/16/428471216.db2.gz KDRHQTWTMIEIEK-KOLCDFICSA-N 2 0 303.269 2.907 20 0 DFADRP [NH3+]C[C@@H]1CCC[C@H]1C(=O)NCC1([NH+]2CCCCC2)CCCCC1 ZINC000390185217 428471530 /nfs/dbraw/zinc/47/15/30/428471530.db2.gz RDYBFMFADHGPFI-DLBZAZTESA-N 2 0 321.509 2.666 20 0 DFADRP Cc1ccc(Cl)cc1NC(=O)C[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000390125335 428471725 /nfs/dbraw/zinc/47/17/25/428471725.db2.gz GEBSZGKVHSAWOB-OKILXGFUSA-N 2 0 321.852 2.518 20 0 DFADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]C[C@H]1CCCN1Cc1ccccc1 ZINC000390564819 428472686 /nfs/dbraw/zinc/47/26/86/428472686.db2.gz OLUQPVVBVFNTGZ-OTWHNJEPSA-N 2 0 301.478 2.758 20 0 DFADRP C[C@H](CCc1ccc2c(c1)OCO2)[NH2+]CCC[C@H]1CCC[NH2+]1 ZINC000414964511 428475173 /nfs/dbraw/zinc/47/51/73/428475173.db2.gz MHSXWZKCNYOGBM-ZBFHGGJFSA-N 2 0 304.434 2.858 20 0 DFADRP C[C@@H](Cc1ccccc1C(F)(F)F)[NH2+]CCOCC[NH+](C)C ZINC000360882748 428475649 /nfs/dbraw/zinc/47/56/49/428475649.db2.gz GNYJYDFZPDHVPJ-ZDUSSCGKSA-N 2 0 318.383 2.804 20 0 DFADRP c1ccc(CCN2CCC([NH2+]CCC[C@H]3CCC[NH2+]3)CC2)cc1 ZINC000414970094 428477519 /nfs/dbraw/zinc/47/75/19/428477519.db2.gz JWMSWZPSIDTPIC-LJQANCHMSA-N 2 0 315.505 2.815 20 0 DFADRP COc1ccc(CC[C@H](C)[NH2+]CCC[C@H]2CCC[NH2+]2)cc1O ZINC000414971535 428477927 /nfs/dbraw/zinc/47/79/27/428477927.db2.gz WIDHILVVOJTYJO-HOCLYGCPSA-N 2 0 306.450 2.844 20 0 DFADRP C[C@H]1C[NH2+]CC[C@H]1[NH2+]Cc1ccc(OCC(F)(F)F)cc1 ZINC000414968896 428478301 /nfs/dbraw/zinc/47/83/01/428478301.db2.gz YQUURURVDXWPJA-SMDDNHRTSA-N 2 0 302.340 2.715 20 0 DFADRP C[NH+](C)CCOC1CC[NH+](Cc2cccc3[nH]ccc32)CC1 ZINC000353529677 428581623 /nfs/dbraw/zinc/58/16/23/428581623.db2.gz KJXOVOLVVNMXAZ-UHFFFAOYSA-N 2 0 301.434 2.711 20 0 DFADRP CC(=O)N1CCC[C@@H](C[NH2+]C2CC[NH+](C3CCCCC3)CC2)C1 ZINC000373466594 428583718 /nfs/dbraw/zinc/58/37/18/428583718.db2.gz DDJWZIBPWXSPFN-KRWDZBQOSA-N 2 0 321.509 2.632 20 0 DFADRP [NH3+][C@@H]1CCCO[C@@H]1C1CC[NH+](Cc2ccc(F)c(F)c2)CC1 ZINC000415129380 428533113 /nfs/dbraw/zinc/53/31/13/428533113.db2.gz PIIDBFYJZZWUDT-IAGOWNOFSA-N 2 0 310.388 2.683 20 0 DFADRP C[C@@H](Cc1ccccc1)C[N@@H+]1CC2(CC[NH2+]CC2)[C@@H]2COC[C@@H]21 ZINC000415133500 428533206 /nfs/dbraw/zinc/53/32/06/428533206.db2.gz CLZUJQKDOKFWSO-UHOSZYNNSA-N 2 0 314.473 2.566 20 0 DFADRP Cc1cc(F)ccc1C[NH+]1CCC([C@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000415136548 428534259 /nfs/dbraw/zinc/53/42/59/428534259.db2.gz XFTUFBMDNGWDDQ-ZWKOTPCHSA-N 2 0 306.425 2.852 20 0 DFADRP Fc1ccc(N2CC[C@H]([NH2+][C@@H]3CCC[C@H]3[C@@H]3CCC[NH2+]3)C2)cc1 ZINC000415139999 428534353 /nfs/dbraw/zinc/53/43/53/428534353.db2.gz MNAHRIVCMFLFII-DSLXNQLJSA-N 2 0 317.452 2.915 20 0 DFADRP Fc1ccc(N2CC[C@H]([NH2+][C@@H]3CCC[C@@H]3[C@H]3CCC[NH2+]3)C2)cc1 ZINC000415140001 428535426 /nfs/dbraw/zinc/53/54/26/428535426.db2.gz MNAHRIVCMFLFII-JCHJZTRSSA-N 2 0 317.452 2.915 20 0 DFADRP NC1(C[NH2+]C2CCCCC2)CC[NH+](Cc2ccccc2)CC1 ZINC000415135765 428535791 /nfs/dbraw/zinc/53/57/91/428535791.db2.gz QNKJKZQTSGYGLV-UHFFFAOYSA-N 2 0 301.478 2.902 20 0 DFADRP [NH3+]CC1(O)CC[NH+](CC2CCC(c3ccccc3)CC2)CC1 ZINC000415147891 428537000 /nfs/dbraw/zinc/53/70/00/428537000.db2.gz JDAIWWYJYHKNEZ-UHFFFAOYSA-N 2 0 302.462 2.746 20 0 DFADRP C[C@@H](NCC1([N@H+](C)Cc2ccccc2)CCC1)[C@H]1CC[NH2+]C1 ZINC000400365876 428544471 /nfs/dbraw/zinc/54/44/71/428544471.db2.gz DZQUPNTVGNDDDB-AEFFLSMTSA-N 2 0 301.478 2.629 20 0 DFADRP C[C@H](Cc1ccc(Br)cc1)[NH2+][C@@H](C)[C@@H]1CC[NH2+]C1 ZINC000400502406 428545536 /nfs/dbraw/zinc/54/55/36/428545536.db2.gz IXGXWBJMQPWEBR-MBNYWOFBSA-N 2 0 311.267 2.968 20 0 DFADRP CC[NH+](CC)[C@H](CNC(=O)c1c[nH+]ccc1N(C)C)CC(C)C ZINC000353459888 428545557 /nfs/dbraw/zinc/54/55/57/428545557.db2.gz NBZBPEHKXCGLOO-HNNXBMFYSA-N 2 0 320.481 2.634 20 0 DFADRP C[C@H](N[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1)[C@H]1CCC[NH2+]1 ZINC000400478997 428545884 /nfs/dbraw/zinc/54/58/84/428545884.db2.gz VSEHOTSKVPOMNP-RNIPGJKVSA-N 2 0 301.478 2.770 20 0 DFADRP CC[NH+](CC)CCO[C@@H]1CC[N@H+](Cc2cc(F)ccc2OC)C1 ZINC000361191428 428546657 /nfs/dbraw/zinc/54/66/57/428546657.db2.gz SHNCTWACFUIZGN-QGZVFWFLSA-N 2 0 324.440 2.767 20 0 DFADRP C[C@H]([NH2+]C[C@@H]1CCCCN1Cc1ccccc1)[C@H]1CC[NH2+]C1 ZINC000400757438 428549428 /nfs/dbraw/zinc/54/94/28/428549428.db2.gz XIIYKCRLCURUST-WDSOQIARSA-N 2 0 301.478 2.629 20 0 DFADRP Brc1sccc1C[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000401070453 428550373 /nfs/dbraw/zinc/55/03/73/428550373.db2.gz KCEZFJAFERBHJF-ZMLRMANQSA-N 2 0 315.280 2.988 20 0 DFADRP Brc1ccc(CC[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000401110079 428551190 /nfs/dbraw/zinc/55/11/90/428551190.db2.gz GKXQYWFQAGRNRY-IIAWOOMASA-N 2 0 323.278 2.969 20 0 DFADRP C[C@H](CCOCc1ccccc1)[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000401005512 428551634 /nfs/dbraw/zinc/55/16/34/428551634.db2.gz OZCSELZSVFNMJW-NXWXRZEISA-N 2 0 302.462 2.960 20 0 DFADRP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)CN1Cc1ccccc1 ZINC000401172962 428552026 /nfs/dbraw/zinc/55/20/26/428552026.db2.gz XOIKXTLYLPASAH-JUSBFGHESA-N 3 0 313.489 2.627 20 0 DFADRP Cc1cncc(CC[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)n1 ZINC000402798257 428560539 /nfs/dbraw/zinc/56/05/39/428560539.db2.gz ODHRTCSSYCHMLD-OXQOHEQNSA-N 2 0 324.472 2.828 20 0 DFADRP Cc1cc(C)cc(C[N@@H+]2CCN(C3CC[NH+](C)CC3)[C@@H](C)C2)c1 ZINC000343737686 428570183 /nfs/dbraw/zinc/57/01/83/428570183.db2.gz RNBGPXHLVXFPRC-SFHVURJKSA-N 2 0 315.505 2.904 20 0 DFADRP C[C@H]1C[N@H+](C)CC[C@@H]1[NH2+]CC(C)(C)N1CCc2ccccc2C1 ZINC000358009119 428573812 /nfs/dbraw/zinc/57/38/12/428573812.db2.gz BPPMQLIUWKRFJI-LPHOPBHVSA-N 2 0 315.505 2.753 20 0 DFADRP Cc1cn2c(n1)[C@H](C[NH2+][C@@H]1CC[N@@H+](C)[C@@H]3CCC[C@@H]31)CCC2 ZINC000353522082 428575639 /nfs/dbraw/zinc/57/56/39/428575639.db2.gz UAWHLLGVVQKFTC-YLFCFFPRSA-N 2 0 302.466 2.531 20 0 DFADRP COC1(C[NH+]2CCC(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)CCCC1 ZINC000361580060 428578785 /nfs/dbraw/zinc/57/87/85/428578785.db2.gz VSKIJOFLUNPMFI-CALCHBBNSA-N 2 0 324.509 2.767 20 0 DFADRP CC(C)NC(=O)[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[N@H+](C)[C@@H]3CCC[C@@H]32)C1 ZINC000353526549 428578942 /nfs/dbraw/zinc/57/89/42/428578942.db2.gz AZWQFNHLSJDISW-CWQOZTLDSA-N 2 0 321.509 2.532 20 0 DFADRP C[C@H]([NH3+])[C@H]1CCCCN1C(=O)Nc1ccccc1CC[NH+](C)C ZINC000415569868 428599330 /nfs/dbraw/zinc/59/93/30/428599330.db2.gz LLHQKVSWAVNDSO-WMLDXEAASA-N 2 0 318.465 2.524 20 0 DFADRP COc1ccccc1/C=C\C[NH+]1CCC(OCC[NH+](C)C)CC1 ZINC000353571916 428600028 /nfs/dbraw/zinc/60/00/28/428600028.db2.gz JBLDOYUFDVCCPC-VURMDHGXSA-N 2 0 318.461 2.751 20 0 DFADRP CC(C)[N@@H+](C)C[C@@H](C)N[C@@H]1C[NH+](Cc2ccccc2)C[C@@H]1C ZINC000353568728 428600392 /nfs/dbraw/zinc/60/03/92/428600392.db2.gz BJGFUZSIXBIKMA-YQVWRLOYSA-N 2 0 303.494 2.825 20 0 DFADRP C[NH+](C)CCOCC[NH2+][C@H](C[C@@H]1CCCO1)c1ccc(F)cc1 ZINC000353595358 428614448 /nfs/dbraw/zinc/61/44/48/428614448.db2.gz JQZZRRGWLQWWJQ-ZWKOTPCHSA-N 2 0 324.440 2.604 20 0 DFADRP CSC1(C[NH2+][C@H](C)Cc2ccn(C(C)C)n2)CC[NH+](C)CC1 ZINC000353604866 428616955 /nfs/dbraw/zinc/61/69/55/428616955.db2.gz AWGVHPJLPGEWMS-OAHLLOKOSA-N 2 0 324.538 2.812 20 0 DFADRP C[NH2+]Cc1ccccc1NC(=O)NC(C)(C)CCC[NH+](C)C ZINC000415894925 428619103 /nfs/dbraw/zinc/61/91/03/428619103.db2.gz AIAZDUMXWKGWAQ-UHFFFAOYSA-N 2 0 306.454 2.648 20 0 DFADRP CCN(CC[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@@H]21)CCC(F)(F)F ZINC000353608005 428619125 /nfs/dbraw/zinc/61/91/25/428619125.db2.gz QUOHMZNVIKGBBM-KFWWJZLASA-N 2 0 321.431 2.723 20 0 DFADRP CC[NH2+]Cc1cccc(NC(=O)N(CC[NH+](C)C)CC(C)C)c1 ZINC000415901028 428620604 /nfs/dbraw/zinc/62/06/04/428620604.db2.gz BKLLHCFTMHYHFG-UHFFFAOYSA-N 2 0 320.481 2.848 20 0 DFADRP C[NH2+]Cc1ccccc1NC(=O)NC[C@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC000415902967 428622645 /nfs/dbraw/zinc/62/26/45/428622645.db2.gz PTTFPOLRMUWHNY-CABCVRRESA-N 2 0 318.465 2.648 20 0 DFADRP CC[NH2+]Cc1cccc(NC(=O)N2C[C@H](C)[N@H+](CC)C[C@@H]2C)c1 ZINC000415907682 428623336 /nfs/dbraw/zinc/62/33/36/428623336.db2.gz BTGINYVHJMPCET-GJZGRUSLSA-N 2 0 318.465 2.743 20 0 DFADRP C[N@H+](C[C@H]1CC12CC[NH+](CCC[NH+]1CCCC1)CC2)C1CC1 ZINC000362106351 428624380 /nfs/dbraw/zinc/62/43/80/428624380.db2.gz NWZMHSRVUCLDDX-QGZVFWFLSA-N 3 0 305.510 2.669 20 0 DFADRP CC[NH2+]Cc1cccc(NC(=O)NCC[N@H+]2CC=C(C)CC2)c1 ZINC000415921482 428625885 /nfs/dbraw/zinc/62/58/85/428625885.db2.gz QVDSHLDXLWDWBW-UHFFFAOYSA-N 2 0 316.449 2.570 20 0 DFADRP C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)C1(C[NH+](C)C)CCCCC1 ZINC000358705412 428634781 /nfs/dbraw/zinc/63/47/81/428634781.db2.gz MFZJSFBRVPMQGE-DLBZAZTESA-N 2 0 323.525 2.735 20 0 DFADRP CCn1ccnc1[C@@H](C)NC(=O)Nc1cccc(C[NH2+]C)c1 ZINC000415935168 428631602 /nfs/dbraw/zinc/63/16/02/428631602.db2.gz STKHIRAEYZECHL-GFCCVEGCSA-N 2 0 301.394 2.505 20 0 DFADRP CCCCn1cc(C[NH2+][C@@H]2CC[N@H+](C)[C@@H]3CCC[C@@H]32)c(C)n1 ZINC000353628790 428631897 /nfs/dbraw/zinc/63/18/97/428631897.db2.gz BWAZIROJPFGQDL-KZNAEPCWSA-N 2 0 304.482 2.954 20 0 DFADRP C[NH2+]Cc1cccc(NC(=O)NC2CCC(C[NH+](C)C)CC2)c1 ZINC000415945187 428633359 /nfs/dbraw/zinc/63/33/59/428633359.db2.gz RAWFHFKQFWSNPA-UHFFFAOYSA-N 2 0 318.465 2.648 20 0 DFADRP C[NH+](C)CCCOc1cnccc1C[NH2+][C@H]1CCC12CCC2 ZINC000343937087 428595964 /nfs/dbraw/zinc/59/59/64/428595964.db2.gz PPAIGPXYJUNHEV-KRWDZBQOSA-N 2 0 303.450 2.834 20 0 DFADRP C[NH2+]Cc1ccc(NC(=O)NC[C@@H](C)[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000415969315 428637250 /nfs/dbraw/zinc/63/72/50/428637250.db2.gz FVBAIXCBSJWJAD-LSDHHAIUSA-N 2 0 318.465 2.648 20 0 DFADRP Cc1ccnc(N(C)C[C@@H]2CCC[N@H+](C)[C@@H]2c2ccnn2C)c1 ZINC000344445026 428643781 /nfs/dbraw/zinc/64/37/81/428643781.db2.gz IEYAKTQOEXRXPV-YJBOKZPZSA-N 2 0 313.449 2.643 20 0 DFADRP C[NH2+]Cc1ccc(NC(=O)NC2CCC(C[NH+](C)C)CC2)cc1 ZINC000415981987 428640188 /nfs/dbraw/zinc/64/01/88/428640188.db2.gz KICOXZLUPZZHDY-UHFFFAOYSA-N 2 0 318.465 2.648 20 0 DFADRP CC[NH+](CC)CCO[C@@H]1CC[N@H+](CCCc2ccc(C)nc2)C1 ZINC000353654904 428641917 /nfs/dbraw/zinc/64/19/17/428641917.db2.gz WDJHWFJONXNCFU-LJQANCHMSA-N 2 0 319.493 2.755 20 0 DFADRP CCCC[N@H+](C)C[C@H](C)NC(=O)Nc1ccc2c(c1)C[NH2+]C2 ZINC000416001904 428645866 /nfs/dbraw/zinc/64/58/66/428645866.db2.gz CNMXUJQMCNVJQK-ZDUSSCGKSA-N 2 0 304.438 2.532 20 0 DFADRP CSC1(C[NH2+][C@@H]2CCc3ccccc3OC2)CC[NH+](C)CC1 ZINC000353617263 274174791 /nfs/dbraw/zinc/17/47/91/274174791.db2.gz CYYYTICTFLMLQW-MRXNPFEDSA-N 2 0 320.502 2.797 20 0 DFADRP Cc1c[nH+]ccc1N(C)C[C@H]1CCC[N@H+](C)[C@@H]1c1ccnn1C ZINC000344462721 428653443 /nfs/dbraw/zinc/65/34/43/428653443.db2.gz VQSCBTPHAIIPDU-QAPCUYQASA-N 2 0 313.449 2.643 20 0 DFADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]C[C@@H]1CCN(c2ccc(F)cc2)C1 ZINC000152784680 274339860 /nfs/dbraw/zinc/33/98/60/274339860.db2.gz XXQGVPXXOMALPM-JEWRLFTDSA-N 2 0 319.468 2.970 20 0 DFADRP C[C@@H]1C[N@H+](CC2CCCCCC2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000374255026 428669264 /nfs/dbraw/zinc/66/92/64/428669264.db2.gz OSQLGHAVMWNCBF-IEBWSBKVSA-N 2 0 307.526 2.915 20 0 DFADRP c1cn2c(CN[C@@H]3CC[N@@H+]4CCC[C@@H]4C3)c(C3CC3)nc2s1 ZINC000362253581 428675143 /nfs/dbraw/zinc/67/51/43/428675143.db2.gz FRQQEBOTFFDAQX-ZIAGYGMSSA-N 2 0 316.474 2.990 20 0 DFADRP Cc1cccc(NC[C@H]2CCC[NH+]2CC[C@@H]2CCC[N@H+]2C)n1 ZINC000362400187 428733706 /nfs/dbraw/zinc/73/37/06/428733706.db2.gz FQJDYSASXJRPEC-DLBZAZTESA-N 2 0 302.466 2.751 20 0 DFADRP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1[NH2+]Cc1c[nH]c(C(=O)OC)c1 ZINC000344840744 428710506 /nfs/dbraw/zinc/71/05/06/428710506.db2.gz QWGGLPHXGHXQEC-HOTGVXAUSA-N 2 0 321.465 2.792 20 0 DFADRP COc1cc([C@@H](C)[NH2+]CCN2CC[N@H+](C)C(C)(C)C2)ccc1F ZINC000348355954 428718559 /nfs/dbraw/zinc/71/85/59/428718559.db2.gz NDDBVBQKZCSLHP-CQSZACIVSA-N 2 0 323.456 2.511 20 0 DFADRP CCn1cc(CC[NH2+][C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)cn1 ZINC000348376060 428725980 /nfs/dbraw/zinc/72/59/80/428725980.db2.gz IYCRZYZPQBZYMN-DOTOQJQBSA-N 2 0 304.482 2.688 20 0 DFADRP CC1CC[NH+](CCCC[NH2+][C@@H]2CCCc3nn(C)cc32)CC1 ZINC000358915016 428729285 /nfs/dbraw/zinc/72/92/85/428729285.db2.gz NJKAFFSHHHJABV-QGZVFWFLSA-N 2 0 304.482 2.899 20 0 DFADRP CC(C)[NH+]1CCC(O)(C[NH2+]Cc2ccc([C@@H]3C[C@H]3C)o2)CC1 ZINC000344634768 428685561 /nfs/dbraw/zinc/68/55/61/428685561.db2.gz CCWXBUXKRLEFGR-GDBMZVCRSA-N 2 0 306.450 2.728 20 0 DFADRP C[C@H](CN(C)C)[NH2+]C1CCC([N@H+](C)Cc2ccccc2)CC1 ZINC000348275049 428689005 /nfs/dbraw/zinc/68/90/05/428689005.db2.gz BOCIVSXUCGYEMQ-IPJUCJBFSA-N 3 0 303.494 2.969 20 0 DFADRP c1ccc(CN2CCC[C@]3(CC[N@@H+]([C@@H]4CCOC4)C3)C2)cc1 ZINC000348277633 428690408 /nfs/dbraw/zinc/69/04/08/428690408.db2.gz SWXNBBHTYNJYPP-MOPGFXCFSA-N 2 0 300.446 2.763 20 0 DFADRP CC(C)[N@@H+]1CCC[C@H](NC(=O)C[C@H](c2ccccc2)[NH+](C)C)C1 ZINC000416201494 428690875 /nfs/dbraw/zinc/69/08/75/428690875.db2.gz GEPORBPTIOULJP-ZWKOTPCHSA-N 2 0 317.477 2.668 20 0 DFADRP CC[NH+]1CCN([C@H]2CC[N@H+](CCc3ccc(Cl)cc3)C2)CC1 ZINC000362296809 428692434 /nfs/dbraw/zinc/69/24/34/428692434.db2.gz AUYGYIKOFNITQG-SFHVURJKSA-N 2 0 321.896 2.594 20 0 DFADRP CCC[C@H]([NH3+])C(=O)NCC[C@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000353753636 428694906 /nfs/dbraw/zinc/69/49/06/428694906.db2.gz MCTLREPFHZMMQJ-NJAFHUGGSA-N 2 0 317.477 2.531 20 0 DFADRP CC(C)[N@@H+](C)C[C@H](C)NC(=O)C[C@H](c1ccccc1)[NH+](C)C ZINC000416232389 428695573 /nfs/dbraw/zinc/69/55/73/428695573.db2.gz FOAJIJHLEJJFCX-DOTOQJQBSA-N 2 0 305.466 2.524 20 0 DFADRP COCCCOc1ccc(C[NH2+][C@@H]2CC[N@H+](C)C[C@@H]2C)cc1 ZINC000353869354 428755917 /nfs/dbraw/zinc/75/59/17/428755917.db2.gz QRGWDSXPMZWRRE-MAUKXSAKSA-N 2 0 306.450 2.532 20 0 DFADRP COCCCOc1ccc(C[NH2+][C@H]2CC[N@H+](C)C[C@H]2C)cc1 ZINC000353869356 428756265 /nfs/dbraw/zinc/75/62/65/428756265.db2.gz QRGWDSXPMZWRRE-QAPCUYQASA-N 2 0 306.450 2.532 20 0 DFADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]CC2(C(F)F)CC2)[C@H](C)C1 ZINC000359005912 428771728 /nfs/dbraw/zinc/77/17/28/428771728.db2.gz WYJSKEVBPUTOSM-KGLIPLIRSA-N 2 0 304.425 2.758 20 0 DFADRP CC[N@H+](CCC1CCN(C(=O)[C@@H]2CCC[NH+]2C)CC1)CC(C)C ZINC000359014568 428772190 /nfs/dbraw/zinc/77/21/90/428772190.db2.gz VDCSPFRGCYLDJG-SFHVURJKSA-N 2 0 323.525 2.687 20 0 DFADRP COC(=O)c1cc(CN(C)CC[C@H]2CCCC[N@@H+]2C)cs1 ZINC000411290343 428772743 /nfs/dbraw/zinc/77/27/43/428772743.db2.gz HELJQMKPYXHBFA-CQSZACIVSA-N 2 0 310.463 2.841 20 0 DFADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]CCc2cccc(C)n2)[C@H](C)C1 ZINC000359018763 428775545 /nfs/dbraw/zinc/77/55/45/428775545.db2.gz YZPOWTDHMRXMJV-APWZRJJASA-N 2 0 319.493 2.659 20 0 DFADRP COC[C@@](C)(CCO)[NH2+]Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000411320790 428776618 /nfs/dbraw/zinc/77/66/18/428776618.db2.gz CDUJXOQXRUARHK-LJQANCHMSA-N 2 0 320.477 2.550 20 0 DFADRP CC(C)[N@@H+]1CCc2nc(CN(C)C[C@H]3CCC[C@H]3O)sc2C1 ZINC000374907215 428780422 /nfs/dbraw/zinc/78/04/22/428780422.db2.gz DTYZUQNSPXLAJZ-UKRRQHHQSA-N 2 0 323.506 2.502 20 0 DFADRP CC[N@@H+]1CC[C@@H]([NH2+]Cc2ccc(OCCCOC)cc2)[C@H](C)C1 ZINC000353851811 428749721 /nfs/dbraw/zinc/74/97/21/428749721.db2.gz ANJJFNNUFSXSDK-VQIMIIECSA-N 2 0 320.477 2.922 20 0 DFADRP OC[C@@H]1CCC[N@H+](Cc2cccc(C[NH+]3CCCCC3)c2)C1 ZINC000411150287 428749903 /nfs/dbraw/zinc/74/99/03/428749903.db2.gz VVYZTCCAYUJRMJ-LJQANCHMSA-N 2 0 302.462 2.877 20 0 DFADRP CC(CC[NH+](C)[C@H]1CCCOC1)CC[N@H+](C)[C@H]1CCCOC1 ZINC000411721211 428848148 /nfs/dbraw/zinc/84/81/48/428848148.db2.gz ROPNBVFIORANKI-ROUUACIJSA-N 2 0 312.498 2.624 20 0 DFADRP CCOC[C@@H](C)[NH2+]Cc1ccc(OC2CC[NH+](C)CC2)cc1 ZINC000375305096 428848314 /nfs/dbraw/zinc/84/83/14/428848314.db2.gz YVQGTTSQKVBGGS-OAHLLOKOSA-N 2 0 306.450 2.674 20 0 DFADRP C[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCCN(C(=O)CC2CC[NH+](C)CC2)C1 ZINC000362669183 428798707 /nfs/dbraw/zinc/79/87/07/428798707.db2.gz UHTKWDQGAIPKMM-SOLBZPMBSA-N 2 0 321.509 2.582 20 0 DFADRP CCC[C@@H]([NH2+][C@H]1CCN(C2CC[NH+](C)CC2)C1)c1ccccn1 ZINC000362660447 428799493 /nfs/dbraw/zinc/79/94/93/428799493.db2.gz YDSOUHOKVXXQEE-QFBILLFUSA-N 2 0 316.493 2.681 20 0 DFADRP CNC(=O)[C@H]([NH2+]Cc1ccc(C[NH+]2CCCCC2)cc1)C(C)C ZINC000411470416 428803807 /nfs/dbraw/zinc/80/38/07/428803807.db2.gz OJSGQOOQHTXDPF-GOSISDBHSA-N 2 0 317.477 2.533 20 0 DFADRP CC(C)[C@H]1CCCC[C@@H]1[NH2+]CC(=O)NC1CC[NH+](C(C)C)CC1 ZINC000411520580 428810066 /nfs/dbraw/zinc/81/00/66/428810066.db2.gz QPDBTRPROOJOIS-MSOLQXFVSA-N 2 0 323.525 2.780 20 0 DFADRP CC[NH+]1CCC(NC(=O)C[NH2+][C@H](C)c2c(C)cccc2C)CC1 ZINC000411526092 428811446 /nfs/dbraw/zinc/81/14/46/428811446.db2.gz LUKSDEFJZUVYHN-MRXNPFEDSA-N 2 0 317.477 2.555 20 0 DFADRP Cc1nnc([C@H](C)N[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)[nH]1 ZINC000411554726 428815604 /nfs/dbraw/zinc/81/56/04/428815604.db2.gz UKHZEEGTHRBDEO-ZQIUZPCESA-N 2 0 313.449 2.674 20 0 DFADRP C[C@H]1C[N@H+](Cc2ccc(C[NH+]3CCCCC3)cc2)CC[C@H]1O ZINC000411568506 428819338 /nfs/dbraw/zinc/81/93/38/428819338.db2.gz LBKIJANSAYASSG-QFBILLFUSA-N 2 0 302.462 2.875 20 0 DFADRP CC[C@H]1CCCC[C@@H]1[N@H+](C)CC(=O)NC1CC[NH+](C(C)C)CC1 ZINC000411599731 428823254 /nfs/dbraw/zinc/82/32/54/428823254.db2.gz COJQVPOITCRGDG-WMZOPIPTSA-N 2 0 323.525 2.876 20 0 DFADRP CC[N@H+](CC(=O)NC1CC[NH+](C(C)C)CC1)[C@H]1CCCC[C@@H]1C ZINC000411619498 428826320 /nfs/dbraw/zinc/82/63/20/428826320.db2.gz XKMFJZRAGXTVOQ-WMZOPIPTSA-N 2 0 323.525 2.876 20 0 DFADRP c1ccc2c(NC[C@H]3CCC[C@@H]3[NH+]3CCOCC3)cc[nH+]c2c1 ZINC000363007855 428840004 /nfs/dbraw/zinc/84/00/04/428840004.db2.gz PBJKRRAKAUMGPQ-BEFAXECRSA-N 2 0 311.429 2.570 20 0 DFADRP CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H](c1cccc(Cl)c1)N(C)C ZINC000348799417 428842536 /nfs/dbraw/zinc/84/25/36/428842536.db2.gz JZGZHXIONJFISW-HZPDHXFCSA-N 2 0 323.868 2.543 20 0 DFADRP CC(C)[C@H]([NH2+]C1CC[NH+]([C@H]2CCC[C@H]2O)CC1)c1cccnc1 ZINC000359296135 428907433 /nfs/dbraw/zinc/90/74/33/428907433.db2.gz AVRRKESALADRJN-OTWHNJEPSA-N 2 0 317.477 2.746 20 0 DFADRP COC1([C@@H](C)[NH2+]C/C=C/C[NH2+][C@@H](C)C2(OC)CCC2)CCC1 ZINC000412025100 428910257 /nfs/dbraw/zinc/91/02/57/428910257.db2.gz PAWJYPFJCFJHCJ-AXHPFZFWSA-N 2 0 310.482 2.637 20 0 DFADRP C[N@@H+]1CCCC[C@H]1CCC(=O)N1CCC(C[NH+]2CCCC2)CC1 ZINC000354086269 428856015 /nfs/dbraw/zinc/85/60/15/428856015.db2.gz OFXWSLTXAVOUCO-SFHVURJKSA-N 2 0 321.509 2.585 20 0 DFADRP O=C(Nc1ccccc1)[C@@H]1CCC[N@H+](CCC2CC[NH2+]CC2)C1 ZINC000359213801 428866242 /nfs/dbraw/zinc/86/62/42/428866242.db2.gz GOAMZRTYXVIZQN-QGZVFWFLSA-N 2 0 315.461 2.727 20 0 DFADRP CCn1ccnc1CN1CC[N@H+](Cc2ccccc2)CC[C@@H]1C ZINC000363134668 428867697 /nfs/dbraw/zinc/86/76/97/428867697.db2.gz KAIDXCUILODUQE-KRWDZBQOSA-N 2 0 312.461 2.999 20 0 DFADRP C(CN1CCC[N@H+](CC2CCCCC2)CC1)C1CC[NH2+]CC1 ZINC000359217667 428870495 /nfs/dbraw/zinc/87/04/95/428870495.db2.gz MDSNVZZNXKRUHG-UHFFFAOYSA-N 2 0 307.526 2.964 20 0 DFADRP C[C@@H]1C[N@@H+](CC2CC[NH+](CCCCCF)CC2)C[C@H](C)O1 ZINC000375393126 428871610 /nfs/dbraw/zinc/87/16/10/428871610.db2.gz XLXCWLAVRJXZRW-IYBDPMFKSA-N 2 0 300.462 2.947 20 0 DFADRP CC(C)[NH+]1CCC(NC(=O)C[NH2+][C@@H](C)[C@H]2CCC[C@H](C)C2)CC1 ZINC000411877166 428875136 /nfs/dbraw/zinc/87/51/36/428875136.db2.gz QMHWCWKWKQNRFD-ULQDDVLXSA-N 2 0 323.525 2.780 20 0 DFADRP CC(C)[NH+]1CCC(NC(=O)C[NH2+][C@@H](C)[C@@H]2CCC[C@@H](C)C2)CC1 ZINC000411877164 428875802 /nfs/dbraw/zinc/87/58/02/428875802.db2.gz QMHWCWKWKQNRFD-IXDOHACOSA-N 2 0 323.525 2.780 20 0 DFADRP C[N@@H+]1CCC[C@H](N2CC[NH+](CCCCc3ccccc3)CC2)C1 ZINC000375401683 428876200 /nfs/dbraw/zinc/87/62/00/428876200.db2.gz HKXYVPRAOKIIMS-FQEVSTJZSA-N 2 0 315.505 2.721 20 0 DFADRP Cc1cc(CN(Cc2ccccc2)C2CC[NH+](C)CC2)n(C)n1 ZINC000418062230 428877807 /nfs/dbraw/zinc/87/78/07/428877807.db2.gz FOAWFBJQRDGTPF-UHFFFAOYSA-N 2 0 312.461 2.825 20 0 DFADRP Cc1cccc([C@H](C)[NH2+]CC(=O)NC2CC[NH+](C(C)C)CC2)c1 ZINC000411884915 428878958 /nfs/dbraw/zinc/87/89/58/428878958.db2.gz XBPZQLCWUMVELX-INIZCTEOSA-N 2 0 317.477 2.635 20 0 DFADRP C[C@@H](CCCC[NH3+])NC(=O)NC[C@H]1CCC[N@@H+]1C1CCCCC1 ZINC000418133813 428886211 /nfs/dbraw/zinc/88/62/11/428886211.db2.gz LJISZFKOPDNLSP-DOTOQJQBSA-N 2 0 324.513 2.600 20 0 DFADRP CCCC[N@H+](C)C[C@H](C)NC(=O)NCc1ccc([C@H](C)[NH3+])cc1 ZINC000418192652 428897286 /nfs/dbraw/zinc/89/72/86/428897286.db2.gz ARQWAAHKXRWJIN-GJZGRUSLSA-N 2 0 320.481 2.626 20 0 DFADRP C[C@H](C(=O)NCC[NH+]1[C@H](C)CCC[C@H]1C)[NH+]1CCCCCC1 ZINC000345505072 428913492 /nfs/dbraw/zinc/91/34/92/428913492.db2.gz JLEYIJWQSWLQBE-BRWVUGGUSA-N 2 0 309.498 2.630 20 0 DFADRP CC(C)[C@H](C[NH2+]C[C@H](O)C[NH+]1CCCCC1)c1ccccc1 ZINC000354206482 428915392 /nfs/dbraw/zinc/91/53/92/428915392.db2.gz CPWGUWALBXGQNF-OALUTQOASA-N 2 0 304.478 2.863 20 0 DFADRP CCC[N@@H+]1CCC[C@H]1C(=O)NCC1([NH+](C)C)CCCCCC1 ZINC000349082333 428917361 /nfs/dbraw/zinc/91/73/61/428917361.db2.gz QSRYJKGHQGOWTK-INIZCTEOSA-N 2 0 309.498 2.632 20 0 DFADRP CC[N@@H+]1CC[C@@H]([NH+](C)CCOCCOc2ccccc2)C[C@@H]1C ZINC000354211381 428918750 /nfs/dbraw/zinc/91/87/50/428918750.db2.gz WTSORJSWTDSNFW-ZWKOTPCHSA-N 2 0 320.477 2.887 20 0 DFADRP CC[N@@H+]1CC[C@H]([NH+](C)CCC(=O)Nc2ccccc2)C[C@H]1C ZINC000354212007 428918974 /nfs/dbraw/zinc/91/89/74/428918974.db2.gz ZBHBPSCQTJEIRJ-WBVHZDCISA-N 2 0 303.450 2.820 20 0 DFADRP COc1ccc([C@H](O)[C@H]2CCC[N@@H+]2CC[C@H]2CCC[NH+]2C)cc1 ZINC000363460017 428921290 /nfs/dbraw/zinc/92/12/90/428921290.db2.gz VQJVBYHHHSGEKF-QRQLOZEOSA-N 2 0 318.461 2.677 20 0 DFADRP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+]1CCC[C@]1(C)CCCO ZINC000349123981 428922852 /nfs/dbraw/zinc/92/28/52/428922852.db2.gz AKTNTMOIPKKHOK-GOSISDBHSA-N 2 0 314.433 2.703 20 0 DFADRP CCn1nc(C)c(C[N@@H+]2CC[C@@H](C3CC[NH+](C)CC3)C2)c1C ZINC000349132147 428926355 /nfs/dbraw/zinc/92/63/55/428926355.db2.gz QVSYNGBFTCXZPU-QGZVFWFLSA-N 2 0 304.482 2.684 20 0 DFADRP CN(CC[NH3+])CCCCCc1cc(-c2ccc(F)cc2)n[nH]1 ZINC000345537446 428926409 /nfs/dbraw/zinc/92/64/09/428926409.db2.gz KKKJKQSCOOBIFA-UHFFFAOYSA-N 2 0 304.413 2.819 20 0 DFADRP CC[N@@H+]1CC[C@@H]([NH+](C)CCOc2ccc(OC)cc2)C[C@H]1C ZINC000354226516 428931235 /nfs/dbraw/zinc/93/12/35/428931235.db2.gz WMRKMAUXOMWADO-HZPDHXFCSA-N 2 0 306.450 2.879 20 0 DFADRP O[C@H](C[NH2+][C@@H](c1ccccc1)C1CCCC1)C[NH+]1CCCC1 ZINC000359369091 428942182 /nfs/dbraw/zinc/94/21/82/428942182.db2.gz FWOTZWSYDVVOFV-MOPGFXCFSA-N 2 0 302.462 2.964 20 0 DFADRP Cc1cc([C@@H]([NH2+]CC2CC[NH+](CCO)CC2)C2CC2)ccc1F ZINC000359376124 428943963 /nfs/dbraw/zinc/94/39/63/428943963.db2.gz UIDJOELKFCQENY-IBGZPJMESA-N 2 0 320.452 2.879 20 0 DFADRP Cc1ccccc1NC(=O)C[C@H](C)[NH2+]CCC1=CC[NH2+]CC1 ZINC000423551759 428972049 /nfs/dbraw/zinc/97/20/49/428972049.db2.gz JMNOHOYGEMHHME-HNNXBMFYSA-N 2 0 301.434 2.612 20 0 DFADRP Cc1ccc(C[N@@H+]2CCN(C3CC[NH+](C)CC3)[C@@H](C)C2)c(C)c1 ZINC000349296280 428956775 /nfs/dbraw/zinc/95/67/75/428956775.db2.gz LKXUQQOKAMDAKB-SFHVURJKSA-N 2 0 315.505 2.904 20 0 DFADRP CC[C@@H](C[N@H+](C)CCCN1CC[NH+](C)CC1)c1ccccc1 ZINC000349337101 428964008 /nfs/dbraw/zinc/96/40/08/428964008.db2.gz ZBCLHXBYXOKMFS-SFHVURJKSA-N 2 0 303.494 2.750 20 0 DFADRP C[C@H]([NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1)c1ccc(F)cc1N(C)C ZINC000423537422 428967276 /nfs/dbraw/zinc/96/72/76/428967276.db2.gz CYCBEIPVMQIQME-DSJMHWKBSA-N 2 0 305.441 2.930 20 0 DFADRP COc1ccc(C[C@H](C)[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)cc1OC ZINC000423538335 428967735 /nfs/dbraw/zinc/96/77/35/428967735.db2.gz GDPBSRCMJPHHAK-PQEBFOHHSA-N 2 0 318.461 2.613 20 0 DFADRP C[C@H]1CCC[C@@H]([NH+]2CCC([NH2+]CCC3=CC[NH2+]CC3)CC2)C1 ZINC000423545068 428968217 /nfs/dbraw/zinc/96/82/17/428968217.db2.gz XFNMGRCPTJLWRO-QFBILLFUSA-N 3 0 305.510 2.929 20 0 DFADRP CN1CC[C@H]([NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)C[C@H]1c1ccccc1 ZINC000423541632 428968429 /nfs/dbraw/zinc/96/84/29/428968429.db2.gz FRONWDPSSIJYCW-RMMWZPCPSA-N 2 0 313.489 2.800 20 0 DFADRP COc1cc2c(cc1OC)[C@H]([NH2+]CCC1=CC[NH2+]CC1)CC2 ZINC000423544457 428969470 /nfs/dbraw/zinc/96/94/70/428969470.db2.gz WQFSLTXMWCBJRC-MRXNPFEDSA-N 2 0 302.418 2.591 20 0 DFADRP CC[C@H]([NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1)c1ccc2c(c1)OCCO2 ZINC000423540001 428969624 /nfs/dbraw/zinc/96/96/24/428969624.db2.gz JDGIZUCAHCGJSH-VQHPVUNQSA-N 2 0 316.445 2.887 20 0 DFADRP C[C@H]([NH2+]CCC1=CC[NH2+]CC1)c1ncc(Br)s1 ZINC000423539733 428969709 /nfs/dbraw/zinc/96/97/09/428969709.db2.gz PESJUTGKNVQLMT-VIFPVBQESA-N 2 0 316.268 2.866 20 0 DFADRP C[NH+](C)C[C@@H](NC(=O)C[C@@H]1CCC[C@H]1[NH3+])c1ccc(Cl)cc1 ZINC000423775925 429017157 /nfs/dbraw/zinc/01/71/57/429017157.db2.gz PTGOKXBMFVUCHG-NUEKZKHPSA-N 2 0 323.868 2.576 20 0 DFADRP CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCCCCC[C@H]1[NH3+] ZINC000423792301 429021225 /nfs/dbraw/zinc/02/12/25/429021225.db2.gz DFLHPLMFESOYRS-IXDOHACOSA-N 2 0 309.498 2.521 20 0 DFADRP CC[C@@H]([NH2+]CC1(C[NH+](C)C)CCCC1)C1(C(=O)OC)CCC1 ZINC000355060692 429024538 /nfs/dbraw/zinc/02/45/38/429024538.db2.gz NQRQIZLDUXSRKA-OAHLLOKOSA-N 2 0 310.482 2.820 20 0 DFADRP O=C(CC[C@@H]1CCC[NH2+]1)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000423801688 429025093 /nfs/dbraw/zinc/02/50/93/429025093.db2.gz UETNMWHEJGEYTK-SFHVURJKSA-N 2 0 321.509 2.633 20 0 DFADRP CCC[C@H]([NH2+]C(C)C)C(=O)NC[C@@H]1CCC[N@H+](CC(C)C)C1 ZINC000355143979 429029925 /nfs/dbraw/zinc/02/99/25/429029925.db2.gz ASVBTYADWVRJFV-IRXDYDNUSA-N 2 0 311.514 2.637 20 0 DFADRP C[C@@H]1C[N@@H+](CC2CC[NH+](CCC3CCOCC3)CC2)C[C@H](C)O1 ZINC000432938208 428975041 /nfs/dbraw/zinc/97/50/41/428975041.db2.gz KPNLTIOORRPEBZ-CALCHBBNSA-N 2 0 324.509 2.624 20 0 DFADRP c1ccc(C[N@@H+]2C[C@@H]3CC[C@H](N[C@H]4CCCC[NH2+]C4)[C@H]3C2)cc1 ZINC000423572119 428975481 /nfs/dbraw/zinc/97/54/81/428975481.db2.gz YHADKYBIWTUJMY-MUGJNUQGSA-N 2 0 313.489 2.629 20 0 DFADRP C[C@@H](NCC1([NH3+])CC[NH+](Cc2ccccc2)CC1)c1ccco1 ZINC000423574418 428976274 /nfs/dbraw/zinc/97/62/74/428976274.db2.gz PKOQMPZPVKIDSW-MRXNPFEDSA-N 2 0 313.445 2.924 20 0 DFADRP CCc1nnc(CN2CCC[C@@H](n3ccnc3C(C)C)C2)o1 ZINC000375815719 428984922 /nfs/dbraw/zinc/98/49/22/428984922.db2.gz QINHBIOAJKILCS-CYBMUJFWSA-N 2 0 303.410 2.789 20 0 DFADRP CC[C@H](C(=O)N1CCCC[C@H]1CC[NH3+])[N@H+](C)Cc1ccccc1 ZINC000423644060 428988137 /nfs/dbraw/zinc/98/81/37/428988137.db2.gz ZEOQSGBDSDADNQ-ZWKOTPCHSA-N 2 0 317.477 2.627 20 0 DFADRP Cc1ccc([C@@H]([NH2+]C[C@H](C)N2CC[NH+](C)CC2)C2CCC2)o1 ZINC000349448014 428988263 /nfs/dbraw/zinc/98/82/63/428988263.db2.gz DFDGKGVUINTMLD-KSSFIOAISA-N 2 0 305.466 2.655 20 0 DFADRP CC(C)[C@@H]1CCC[C@@H](NC(=O)CCC[NH+]2CCC([NH3+])CC2)C1 ZINC000433117665 428997579 /nfs/dbraw/zinc/99/75/79/428997579.db2.gz PFKRMBVBCUMZOP-NVXWUHKLSA-N 2 0 309.498 2.521 20 0 DFADRP CC[C@H](C)[C@H]1CCCCN1C(=O)CCC[NH+]1CCC([NH3+])CC1 ZINC000433133048 428999478 /nfs/dbraw/zinc/99/94/78/428999478.db2.gz HGLWYKRXJRBVAK-DOTOQJQBSA-N 2 0 309.498 2.617 20 0 DFADRP CC(C)CC1(CNC(=O)CCC[NH+]2CCC([NH3+])CC2)CCCC1 ZINC000433175811 429003442 /nfs/dbraw/zinc/00/34/42/429003442.db2.gz QRJMJSGEEXIJQL-UHFFFAOYSA-N 2 0 323.525 2.912 20 0 DFADRP CCC(CC)(C[NH3+])C(=O)N1CCC[C@H]([NH+]2[C@@H](C)CC[C@@H]2C)C1 ZINC000423724673 429004141 /nfs/dbraw/zinc/00/41/41/429004141.db2.gz HMDWGHQLMUYAFY-JYJNAYRXSA-N 2 0 309.498 2.615 20 0 DFADRP CCCC[C@H](NC(=O)CCC[NH+]1CCC([NH3+])CC1)C1CCC1 ZINC000433159486 429005182 /nfs/dbraw/zinc/00/51/82/429005182.db2.gz MBUYZMMCNFGBQD-KRWDZBQOSA-N 2 0 309.498 2.665 20 0 DFADRP c1ccc([C@@H]2C[C@@H]2C[NH+]2CCN(CC[NH+]3CCCC3)CC2)cc1 ZINC000349561341 429005472 /nfs/dbraw/zinc/00/54/72/429005472.db2.gz IHUZYYGOZUWRDY-UXHICEINSA-N 2 0 313.489 2.504 20 0 DFADRP C[C@H]([NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccccc1-n1ccnn1 ZINC000375890355 429007858 /nfs/dbraw/zinc/00/78/58/429007858.db2.gz SCPHKPRPIBJISS-HRCADAONSA-N 2 0 311.433 2.545 20 0 DFADRP Cc1ccc(C[N@H+]2CC[C@@H](N3CC[NH+](C(C)C)CC3)C2)cc1 ZINC000375891347 429008849 /nfs/dbraw/zinc/00/88/49/429008849.db2.gz QJVIJGFSQNNVRC-LJQANCHMSA-N 2 0 301.478 2.595 20 0 DFADRP CC(C)[C@H](C(=O)NC[C@@H]1CCC[N@@H+](C(C)C)C1)[NH+]1CCCCC1 ZINC000354809738 429009475 /nfs/dbraw/zinc/00/94/75/429009475.db2.gz IVSZEMXJSAKLOV-ZWKOTPCHSA-N 2 0 323.525 2.734 20 0 DFADRP C[C@H]([NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1)c1cnn(Cc2ccccc2)c1 ZINC000423440804 429089337 /nfs/dbraw/zinc/08/93/37/429089337.db2.gz OVYQEMWJDDDLBR-RYGJVYDSSA-N 2 0 324.472 2.970 20 0 DFADRP C[C@@H](CCC[NH3+])[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000423444054 429089886 /nfs/dbraw/zinc/08/98/86/429089886.db2.gz AUMIQRYOOMUIGY-KANFNMMFSA-N 3 0 301.478 2.899 20 0 DFADRP COc1cc([C@H](C)[NH2+]C[C@H]2CCC[C@H]([NH3+])C2)cc(OC)c1OC ZINC000423453245 429090682 /nfs/dbraw/zinc/09/06/82/429090682.db2.gz AKZMZDVZMFKWDY-YDHLFZDLSA-N 2 0 322.449 2.881 20 0 DFADRP C[C@H](CCCC[NH3+])[NH2+]C[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC000423462809 429091089 /nfs/dbraw/zinc/09/10/89/429091089.db2.gz FDRXNIOIXBPJPH-UWWQBHOKSA-N 3 0 307.457 2.626 20 0 DFADRP Cc1ncsc1CN(C)C[C@@H]1CC[N@H+](CC[C@@H]2CCCO2)C1 ZINC000434494909 429091607 /nfs/dbraw/zinc/09/16/07/429091607.db2.gz QLVNQJRCWZZSGP-HOTGVXAUSA-N 2 0 323.506 2.774 20 0 DFADRP C[C@@H]([NH2+]C[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1)[C@H]1CCCO1 ZINC000423476126 429095443 /nfs/dbraw/zinc/09/54/43/429095443.db2.gz QPYIJQZVOCOVAR-AETAKHFUSA-N 2 0 306.425 2.676 20 0 DFADRP C[C@@H]([NH2+]C[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1)[C@H]1CCOC1 ZINC000423478624 429095485 /nfs/dbraw/zinc/09/54/85/429095485.db2.gz UEWNKEOKGWLAPN-GRZALLJUSA-N 2 0 306.425 2.533 20 0 DFADRP C[C@@H]([NH2+]C[C@H]1CCNCC1(F)F)c1cc(F)c(F)c(F)c1 ZINC000423482362 429096229 /nfs/dbraw/zinc/09/62/29/429096229.db2.gz QUBPPWDTXMAOPL-PSASIEDQSA-N 2 0 308.294 2.999 20 0 DFADRP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)NCC(C)(C)[NH+]1C[C@H](C)C[C@H](C)C1 ZINC000355412323 429044278 /nfs/dbraw/zinc/04/42/78/429044278.db2.gz PHYOTXUDMNHJAE-WNKDZCFJSA-N 2 0 323.525 2.732 20 0 DFADRP CC(C)(CN1CCCC1)[NH2+]CCCOc1ccc2c(c1)OCO2 ZINC000452096959 429055804 /nfs/dbraw/zinc/05/58/04/429055804.db2.gz PGONSGHIDLMHLA-UHFFFAOYSA-N 2 0 320.433 2.648 20 0 DFADRP CC(C)[C@H]([NH3+])CN[C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000423282366 429055934 /nfs/dbraw/zinc/05/59/34/429055934.db2.gz VVZNPTSRBAMQOV-UAFMIMERSA-N 2 0 315.505 2.860 20 0 DFADRP COC(=O)c1coc([C@H](C)[NH2+]Cc2ccc([C@H](C)[NH3+])cc2)c1 ZINC000423296812 429057338 /nfs/dbraw/zinc/05/73/38/429057338.db2.gz ZWRWFFOPTJPCKD-RYUDHWBXSA-N 2 0 302.374 2.937 20 0 DFADRP C[C@@H]([NH3+])c1ccc(C[NH2+][C@H](C)c2ccc(-n3cnnn3)cc2)cc1 ZINC000423291779 429057878 /nfs/dbraw/zinc/05/78/78/429057878.db2.gz JUKRHAAADALSTE-ZIAGYGMSSA-N 2 0 322.416 2.533 20 0 DFADRP CCC([NH3+])(CC)C[NH2+]C1CCC2(CC1)c1ccccc1NC2=O ZINC000423287498 429058556 /nfs/dbraw/zinc/05/85/56/429058556.db2.gz MQYPUCDYSYFWDO-UHFFFAOYSA-N 2 0 315.461 2.926 20 0 DFADRP C[C@@H](C[NH3+])C[NH2+][C@H]1CCc2c1ccc(F)c2Br ZINC000423308130 429059739 /nfs/dbraw/zinc/05/97/39/429059739.db2.gz NXUCKNOLPJNNIN-UFBFGSQYSA-N 2 0 301.203 2.760 20 0 DFADRP CCC[NH+]1CCC(NC(=O)C(C)(C)[C@@H]([NH3+])c2ccccc2)CC1 ZINC000423303672 429059836 /nfs/dbraw/zinc/05/98/36/429059836.db2.gz JFBABCOPMIDDAI-KRWDZBQOSA-N 2 0 317.477 2.703 20 0 DFADRP Clc1ccc([C@@H](Cc2cccnc2)[NH2+]CC2C[NH2+]C2)cc1 ZINC000423303511 429059917 /nfs/dbraw/zinc/05/99/17/429059917.db2.gz LULHTCURMCWYQA-QGZVFWFLSA-N 2 0 301.821 2.828 20 0 DFADRP [NH3+][C@H](CC1CCCCC1)C(=O)NCCC[NH+]1CCCCCC1 ZINC000423309772 429060565 /nfs/dbraw/zinc/06/05/65/429060565.db2.gz QQVPDHVCGLLGPB-QGZVFWFLSA-N 2 0 309.498 2.666 20 0 DFADRP C[C@H]([NH2+]C[C@]1(C)CCC[NH2+]C1)c1cccc(N2CCOCC2)c1 ZINC000423320015 429062286 /nfs/dbraw/zinc/06/22/86/429062286.db2.gz DXWGLESLCBITJG-QFBILLFUSA-N 2 0 317.477 2.564 20 0 DFADRP [NH3+][C@H](CN[C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21)C1CC1 ZINC000423322144 429062345 /nfs/dbraw/zinc/06/23/45/429062345.db2.gz NQPHQMURZRHOHP-VNTMZGSJSA-N 2 0 313.489 2.614 20 0 DFADRP C[C@H]([NH2+]CC1(C)CC[NH2+]CC1)c1cnn(Cc2ccccc2)c1 ZINC000423315759 429062605 /nfs/dbraw/zinc/06/26/05/429062605.db2.gz AGBGLGKCTOXYHF-INIZCTEOSA-N 2 0 312.461 2.972 20 0 DFADRP C[C@H](Cc1ccc(F)cc1Br)[NH2+]C[C@H]([NH3+])C1CC1 ZINC000423311549 429063169 /nfs/dbraw/zinc/06/31/69/429063169.db2.gz BYPNQQKDWJNTJA-OTYXRUKQSA-N 2 0 315.230 2.846 20 0 DFADRP [NH3+][C@H](C[NH2+][C@@H]1CCc2cc(Br)ccc2C1)C1CC1 ZINC000423319073 429063448 /nfs/dbraw/zinc/06/34/48/429063448.db2.gz LNVWTKZOXSQBAL-HUUCEWRRSA-N 2 0 309.251 2.633 20 0 DFADRP C[C@H]1CCC[N@H+](CCNC(=O)C(C)(C)[C@H]([NH3+])c2ccccc2)C1 ZINC000423328272 429065038 /nfs/dbraw/zinc/06/50/38/429065038.db2.gz LXWVVJSWZSQQQB-DOTOQJQBSA-N 2 0 317.477 2.561 20 0 DFADRP C[N@@H+]1CC[C@H](NC[C@@]2(C)CCC[NH2+]C2)C[C@H]1c1ccccc1 ZINC000423326548 429066075 /nfs/dbraw/zinc/06/60/75/429066075.db2.gz CKLVIOUFXQVXDQ-FHWLQOOXSA-N 2 0 301.478 2.801 20 0 DFADRP Cc1nc(-c2cccnc2)sc1[C@H](C)[NH2+]C[C@H]1CC[NH2+]C1 ZINC000423334349 429066793 /nfs/dbraw/zinc/06/67/93/429066793.db2.gz IGARKUCBTSGOCD-AAEUAGOBSA-N 2 0 302.447 2.774 20 0 DFADRP COc1ccc([C@@H](Cc2ccncc2)[NH2+]C[C@H]2CC[NH2+]C2)cc1 ZINC000423339643 429067308 /nfs/dbraw/zinc/06/73/08/429067308.db2.gz LLNIFHHOXKTZIN-QFBILLFUSA-N 2 0 311.429 2.573 20 0 DFADRP [NH3+]C1(CN[C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)CCC1 ZINC000423337418 429067498 /nfs/dbraw/zinc/06/74/98/429067498.db2.gz VNZXTSQCRMOQMB-CEXWTWQISA-N 2 0 313.489 2.758 20 0 DFADRP C[C@H]([NH2+]CC1(C)CC[NH2+]CC1)c1cccc(N2CCCC2=O)c1 ZINC000423334654 429067554 /nfs/dbraw/zinc/06/75/54/429067554.db2.gz QYXWACFLORHPCH-HNNXBMFYSA-N 2 0 315.461 2.854 20 0 DFADRP CC[C@@H]([NH2+]CC1(C)CC[NH2+]CC1)c1ccc2c(c1)OCCO2 ZINC000423338742 429067595 /nfs/dbraw/zinc/06/75/95/429067595.db2.gz UWDKXAIJPYVIAN-OAHLLOKOSA-N 2 0 304.434 2.888 20 0 DFADRP C[C@@H]([NH2+]C[C@H]1CC[NH2+]C1)c1ccc(Br)c(F)c1 ZINC000423350272 429069085 /nfs/dbraw/zinc/06/90/85/429069085.db2.gz XDNYUCQXQUKGMP-ZJUUUORDSA-N 2 0 301.203 2.848 20 0 DFADRP Brc1cccc2c1C[C@@H]([NH2+]C[C@H]1CC[NH2+]C1)CC2 ZINC000423346974 429069696 /nfs/dbraw/zinc/06/96/96/429069696.db2.gz QLHCFPUXTYOILS-AAEUAGOBSA-N 2 0 309.251 2.506 20 0 DFADRP CC(C)[C@H](C(=O)NCc1cccc(C[NH+]2CCCC2)c1)[C@@H](C)[NH3+] ZINC000423346026 429069714 /nfs/dbraw/zinc/06/97/14/429069714.db2.gz YGJSFQDVXOBVCW-QAPCUYQASA-N 2 0 317.477 2.518 20 0 DFADRP COCCc1nc(C)c([C@@H](C)[NH2+]C[C@]2(C)CCC[NH2+]C2)s1 ZINC000423344963 429069792 /nfs/dbraw/zinc/06/97/92/429069792.db2.gz OPXPBCIVHNRJBK-MLGOLLRUSA-N 2 0 311.495 2.681 20 0 DFADRP C[N@H+](Cc1ccccc1)C1CCC([NH2+]C[C@H]2CC[NH2+]C2)CC1 ZINC000423351218 429070378 /nfs/dbraw/zinc/07/03/78/429070378.db2.gz YTNKSSURVGUVPK-VIQWUECVSA-N 3 0 301.478 2.629 20 0 DFADRP CC(C)[N@@H+]1CCC[C@H](CNC(=O)c2ccc([C@@H](C)[NH3+])cc2)C1 ZINC000423359872 429071160 /nfs/dbraw/zinc/07/11/60/429071160.db2.gz PSZGYQVKIIVEBR-HUUCEWRRSA-N 2 0 303.450 2.557 20 0 DFADRP CCc1ccccc1[C@H]([NH3+])CNC(=O)[C@@H]1CCCCCC[C@@H]1[NH3+] ZINC000423990350 429071378 /nfs/dbraw/zinc/07/13/78/429071378.db2.gz ZEAJIPWDVIMLGE-FGTMMUONSA-N 2 0 317.477 2.663 20 0 DFADRP c1ccc([C@H]2C[C@@H]([NH2+]Cc3ccc4c(c3)C[NH2+]C4)CCN2)cc1 ZINC000423372916 429073775 /nfs/dbraw/zinc/07/37/75/429073775.db2.gz HKGRECBOAMUTBV-VQTJNVASSA-N 2 0 307.441 2.873 20 0 DFADRP C[C@@H]1C[C@H](N[C@@H]2CCC[N@H+](Cc3ccccc3)[C@@H]2C)CC[NH2+]1 ZINC000423368956 429074270 /nfs/dbraw/zinc/07/42/70/429074270.db2.gz BMAJFUGODONSEC-PSBWJHGTSA-N 2 0 301.478 2.770 20 0 DFADRP CC[NH2+][C@H](C)CN[C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000423383295 429076057 /nfs/dbraw/zinc/07/60/57/429076057.db2.gz OZBGHTQZHNEJNQ-RSPOEFSDSA-N 2 0 315.505 2.875 20 0 DFADRP CC[N@H+](CCNC(=O)C(C)(C)[C@H]([NH3+])c1ccccc1)C(C)C ZINC000423383784 429077500 /nfs/dbraw/zinc/07/75/00/429077500.db2.gz FFNBOWHXCKJVIB-MRXNPFEDSA-N 2 0 305.466 2.559 20 0 DFADRP COc1ccc([C@H](C)[C@H](C)[NH2+][C@H]2CC[NH2+]C[C@@H]2C)cc1OC ZINC000423394635 429079823 /nfs/dbraw/zinc/07/98/23/429079823.db2.gz MVNABYGWUVANDW-FQLMCAECSA-N 2 0 306.450 2.783 20 0 DFADRP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1N[C@@H](C[NH3+])c1ccc2ccccc2c1 ZINC000423408381 429080731 /nfs/dbraw/zinc/08/07/31/429080731.db2.gz XJZXBPNWRIMWCO-VOBQZIQPSA-N 2 0 309.457 2.912 20 0 DFADRP COCC1(C[NH2+][C@H](C)[C@@H]2C[C@H]2c2ccccc2)CC[NH2+]CC1 ZINC000423403019 429081051 /nfs/dbraw/zinc/08/10/51/429081051.db2.gz HMKAVXHHOSNUIZ-NJAFHUGGSA-N 2 0 302.462 2.784 20 0 DFADRP CC(C)[C@H]([NH2+]C[C@@H]1C[NH2+]C[C@@H]1O)c1cccc(C(F)(F)F)c1 ZINC000423397850 429081204 /nfs/dbraw/zinc/08/12/04/429081204.db2.gz CIHJOSSQWKYHKN-QEJZJMRPSA-N 2 0 316.367 2.572 20 0 DFADRP CC[NH+]1CCC(CCNC(=O)[C@@H]([NH3+])CC2CCCCC2)CC1 ZINC000423408039 429081240 /nfs/dbraw/zinc/08/12/40/429081240.db2.gz NYRVZLQZKMKJQL-KRWDZBQOSA-N 2 0 309.498 2.522 20 0 DFADRP C[NH2+][C@H](C)CN[C@@H]1CCCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000423404426 429082410 /nfs/dbraw/zinc/08/24/10/429082410.db2.gz YJYWYFROLCZJFW-BTHPGYMESA-N 2 0 315.505 2.875 20 0 DFADRP CCO[C@H]1C[C@@H]([NH2+]CC2(COC)CC[NH2+]CC2)C12CCCCC2 ZINC000423413535 429082802 /nfs/dbraw/zinc/08/28/02/429082802.db2.gz ZJSGTEUNJDMPQU-SJORKVTESA-N 2 0 324.509 2.720 20 0 DFADRP C[C@H]([NH2+]C[C@H]1C[NH2+]C[C@H]1O)c1ccc(-c2cccs2)cc1 ZINC000423409449 429082928 /nfs/dbraw/zinc/08/29/28/429082928.db2.gz QDELXXWQCLAZPG-APHBMKBZSA-N 2 0 302.443 2.646 20 0 DFADRP Cc1ccsc1[C@H](Cc1ccccc1)[NH2+]C[C@@H]1C[NH2+]C[C@@H]1O ZINC000423411729 429083640 /nfs/dbraw/zinc/08/36/40/429083640.db2.gz VDWRDWNMTRYMSC-ULQDDVLXSA-N 2 0 316.470 2.510 20 0 DFADRP c1ccc([C@@H]([NH2+][C@@H]2C[C@H]2C2CC[NH2+]CC2)c2cncnc2)cc1 ZINC000423433362 429087332 /nfs/dbraw/zinc/08/73/32/429087332.db2.gz JQHYSULQOATKHS-IPMKNSEASA-N 2 0 308.429 2.544 20 0 DFADRP COC[C@@H]([NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1)c1ccc(F)c(F)c1 ZINC000423428992 429087905 /nfs/dbraw/zinc/08/79/05/429087905.db2.gz HAMMENDBZJIRAL-IAOVAPTHSA-N 2 0 310.388 2.630 20 0 DFADRP CCC(CC)C[N@H+](Cc1nccn1C)[C@@H]1CC12CC[NH2+]CC2 ZINC000435430718 429142959 /nfs/dbraw/zinc/14/29/59/429142959.db2.gz FCFZXJYJTKNLLM-MRXNPFEDSA-N 2 0 304.482 2.800 20 0 DFADRP CCc1ccc(NC(=O)CN(CC)[C@H]2CCC[NH2+]CC2)cc1 ZINC000435611735 429152380 /nfs/dbraw/zinc/15/23/80/429152380.db2.gz CMICQXCDEAWWBQ-KRWDZBQOSA-N 2 0 303.450 2.652 20 0 DFADRP C[C@H]([NH2+][C@H](CN)C1CCCC1)c1cccc(OCC[NH+](C)C)c1 ZINC000423498007 429098035 /nfs/dbraw/zinc/09/80/35/429098035.db2.gz AVXBAGJOBPCBOA-HNAYVOBHSA-N 2 0 319.493 2.795 20 0 DFADRP CCN(CC)C(=O)C[C@H](C)[NH2+][C@H](CCC[NH3+])c1ccccc1 ZINC000423496885 429098894 /nfs/dbraw/zinc/09/88/94/429098894.db2.gz FSFVQWPAUDUBHL-DOTOQJQBSA-N 2 0 305.466 2.703 20 0 DFADRP C[C@H]([NH2+][C@H]1CC[C@@H](C[NH3+])C1)c1ncc(Br)cc1F ZINC000423494078 429099054 /nfs/dbraw/zinc/09/90/54/429099054.db2.gz CTGCRQVJNMVZIJ-NGZCFLSTSA-N 2 0 316.218 2.761 20 0 DFADRP C[C@@H]1C[C@H](NC(=O)CC[C@H]([NH3+])CC2CCCCC2)C[N@@H+]1C1CC1 ZINC000424138980 429099218 /nfs/dbraw/zinc/09/92/18/429099218.db2.gz CTWDVHAKBMWYCZ-PVAVHDDUSA-N 2 0 321.509 2.806 20 0 DFADRP CCN(CC)C(=O)C[C@@H](C)[NH2+][C@H](CCC[NH3+])c1ccccc1 ZINC000423496886 429099567 /nfs/dbraw/zinc/09/95/67/429099567.db2.gz FSFVQWPAUDUBHL-NVXWUHKLSA-N 2 0 305.466 2.703 20 0 DFADRP C[N@@H+]1CC[C@H](N[C@@H](C[NH3+])C2CCCC2)C[C@H]1c1ccccc1 ZINC000423506198 429101811 /nfs/dbraw/zinc/10/18/11/429101811.db2.gz OWXZYIGUOVBSPY-FHWLQOOXSA-N 2 0 301.478 2.929 20 0 DFADRP C[C@H]([NH2+]C1CCC([NH+]2CCNCC2)CC1)C1C(C)(C)C1(C)C ZINC000423501862 429102099 /nfs/dbraw/zinc/10/20/99/429102099.db2.gz DFALHIOKUSIZMT-FHERZECASA-N 2 0 307.526 2.863 20 0 DFADRP CC[C@@H](C)[N@H+](C)CCNC(=O)CC[C@@H]([NH3+])CC1CCCCC1 ZINC000424164218 429102821 /nfs/dbraw/zinc/10/28/21/429102821.db2.gz YQRPJQAAZAUNTM-NVXWUHKLSA-N 2 0 311.514 2.911 20 0 DFADRP COCCOc1ccc([C@H](C)[N@@H+]2C[C@@H](C)[C@](C)(C[NH3+])C2)cc1 ZINC000423510787 429103020 /nfs/dbraw/zinc/10/30/20/429103020.db2.gz OAXSAAQPPATJGP-RVKKMQEKSA-N 2 0 306.450 2.690 20 0 DFADRP CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@@H]2CC[C@@H](C[NH3+])C2)c2ccccc21 ZINC000423511369 429103303 /nfs/dbraw/zinc/10/33/03/429103303.db2.gz QCVVUVFIPUKCCS-DTDBQYNISA-N 2 0 316.445 2.885 20 0 DFADRP C[C@@H]1[C@H]([NH2+][C@H]2CC[C@H](C[NH3+])C2)CCCN1Cc1ccccc1 ZINC000423507465 429103498 /nfs/dbraw/zinc/10/34/98/429103498.db2.gz MUBJMIQHJGQHIH-XGXHKWSGSA-N 2 0 301.478 2.757 20 0 DFADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1N[C@@H](C[NH3+])C1CCCC1 ZINC000423507893 429104590 /nfs/dbraw/zinc/10/45/90/429104590.db2.gz IRJXDPUQARRYNW-MNEFBYGVSA-N 2 0 301.478 2.614 20 0 DFADRP C[C@@H]1C[C@@H](N2C[C@@H](C)[C@](C)(C[NH3+])C2)C[N@@H+]1Cc1ccccc1 ZINC000423508260 429104679 /nfs/dbraw/zinc/10/46/79/429104679.db2.gz KOKBRWAMZHNHBN-PSBWJHGTSA-N 2 0 301.478 2.566 20 0 DFADRP [NH3+]CC[C@H]1CCCCN1C(=O)CC[C@H]([NH3+])CC1CCCCC1 ZINC000424176021 429104822 /nfs/dbraw/zinc/10/48/22/429104822.db2.gz OHZHWCGCSFVAGM-DLBZAZTESA-N 2 0 309.498 2.794 20 0 DFADRP Cc1cc([C@H](C)[NH2+]C2CCC([NH+]3CCNCC3)CC2)cs1 ZINC000423518468 429105501 /nfs/dbraw/zinc/10/55/01/429105501.db2.gz ZQPSJSNZLVSNPW-OOHWJJMZSA-N 2 0 307.507 2.924 20 0 DFADRP C[C@@H]1CN([C@@H]2CC[N@H+](C)[C@@H](c3ccccc3)C2)C[C@@]1(C)C[NH3+] ZINC000423515331 429105987 /nfs/dbraw/zinc/10/59/87/429105987.db2.gz VEZRBWUDNWMPGL-NXWXRZEISA-N 3 0 301.478 2.739 20 0 DFADRP CCOC[C@@H]1CCC[C@@H]1[NH2+]CC1([NH3+])C2CC3CC(C2)CC1C3 ZINC000423515495 429106130 /nfs/dbraw/zinc/10/61/30/429106130.db2.gz AARLDLVICOSUPT-HWZUTKJVSA-N 2 0 306.494 2.935 20 0 DFADRP c1ccc([C@@H]2C[NH2+]C[C@H]2N[C@@H]2CC[NH2+][C@H](c3ccccc3)C2)cc1 ZINC000423534431 429109859 /nfs/dbraw/zinc/10/98/59/429109859.db2.gz VYVJKTUGZUMMII-IVAOSVALSA-N 2 0 321.468 2.825 20 0 DFADRP Cn1cc([C@@H]2CN(CCc3ccc4ccccc4c3)C[C@H]2[NH3+])cn1 ZINC000424283595 429119362 /nfs/dbraw/zinc/11/93/62/429119362.db2.gz BJJBRNZIPYIFLY-VQTJNVASSA-N 2 0 320.440 2.543 20 0 DFADRP CC(C)N(C(=O)C[N@@H+]1CC2(C[C@H]1C)CC[NH2+]CC2)C1CCCC1 ZINC000424288682 429121183 /nfs/dbraw/zinc/12/11/83/429121183.db2.gz KYLDAQYKCGXWOG-MRXNPFEDSA-N 2 0 321.509 2.630 20 0 DFADRP C[C@H]1C[NH+](CCC2CC[NH+](CCOC3CCC3)CC2)C[C@H](C)O1 ZINC000376525542 429128234 /nfs/dbraw/zinc/12/82/34/429128234.db2.gz KDGRPFDEMQNASK-IRXDYDNUSA-N 2 0 324.509 2.767 20 0 DFADRP C[C@@H]1C[N@@H+](CCC2CC[NH+](CCOC3CCC3)CC2)C[C@H](C)O1 ZINC000376525540 429128738 /nfs/dbraw/zinc/12/87/38/429128738.db2.gz KDGRPFDEMQNASK-CALCHBBNSA-N 2 0 324.509 2.767 20 0 DFADRP C[C@H]1C[C@@H](N[C@@H]2CCCC[C@H]2[NH3+])CC[N@@H+]1Cc1ccccc1 ZINC000424367891 429132011 /nfs/dbraw/zinc/13/20/11/429132011.db2.gz OINSZJKNADNPGO-GDAAHCPNSA-N 2 0 301.478 2.899 20 0 DFADRP C[C@@H]1CC2(C[N@@H+]1Cc1cnn(Cc3ccccc3)c1)CC[NH2+]CC2 ZINC000424371278 429132091 /nfs/dbraw/zinc/13/20/91/429132091.db2.gz DIRVPHRZYXCPDO-QGZVFWFLSA-N 2 0 324.472 2.895 20 0 DFADRP C[C@@H]1C[C@H](N[C@@H]2CCCC[C@H]2[NH3+])CC[N@@H+]1Cc1ccccc1 ZINC000424367989 429132183 /nfs/dbraw/zinc/13/21/83/429132183.db2.gz OINSZJKNADNPGO-NXWXRZEISA-N 2 0 301.478 2.899 20 0 DFADRP CCN(CC)c1ncc(C[N@@H+]2CC3(C[C@@H]2C)CC[NH2+]CC3)s1 ZINC000424385150 429133205 /nfs/dbraw/zinc/13/32/05/429133205.db2.gz WABPQFLLTFTBAL-AWEZNQCLSA-N 2 0 322.522 2.953 20 0 DFADRP CCC1(CC)CN(C[N@@H+]2CC[C@H](C3CC[NH+](C)CC3)C2)C(=O)O1 ZINC000494642712 429133562 /nfs/dbraw/zinc/13/35/62/429133562.db2.gz YXABBAJGCPNGPW-INIZCTEOSA-N 2 0 323.481 2.619 20 0 DFADRP COc1cc(C)c(C[N@@H+]2CC3(C[C@H]2C)CC[NH2+]CC3)c(C)n1 ZINC000424386062 429134440 /nfs/dbraw/zinc/13/44/40/429134440.db2.gz WUICAPWSSVFZLZ-CQSZACIVSA-N 2 0 303.450 2.671 20 0 DFADRP CC(C)c1nccn1[C@@H]1CCCN([C@H](C)c2nncn2C)C1 ZINC000376558576 429136158 /nfs/dbraw/zinc/13/61/58/429136158.db2.gz OZGCCRNNHALDFW-ZIAGYGMSSA-N 2 0 302.426 2.533 20 0 DFADRP Cc1nc(COc2ccc(C[N@@H+]3CC[C@@H](C[NH3+])C3)cc2)cs1 ZINC000435396569 429139320 /nfs/dbraw/zinc/13/93/20/429139320.db2.gz XABNZOAGOMYXNJ-HNNXBMFYSA-N 2 0 317.458 2.811 20 0 DFADRP Cc1cc(C[NH3+])cc(NC(=O)NC[C@@H](C)[N@@H+]2CCC[C@@H](C)C2)c1 ZINC000424446938 429140923 /nfs/dbraw/zinc/14/09/23/429140923.db2.gz SZSHJASRFOCSFT-UKRRQHHQSA-N 2 0 318.465 2.696 20 0 DFADRP CCC[C@@H](C)C[N@H+](Cc1nccn1C)[C@H]1CC12CC[NH2+]CC2 ZINC000435431425 429141523 /nfs/dbraw/zinc/14/15/23/429141523.db2.gz IMBHZUHOFABPCM-CVEARBPZSA-N 2 0 304.482 2.800 20 0 DFADRP C[C@H]([NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccc(C(=O)N(C)C)cc1 ZINC000494888654 429161659 /nfs/dbraw/zinc/16/16/59/429161659.db2.gz IKOVSDLSCBZWNK-QGTPRVQTSA-N 2 0 315.461 2.666 20 0 DFADRP CC[NH+]1CCN(Cc2ccc(C[NH2+][C@@H]3C[C@@H](C)[C@H]3C)cc2)CC1 ZINC000494890037 429161912 /nfs/dbraw/zinc/16/19/12/429161912.db2.gz LWPLMJIOOLQLAZ-MBOZVWFJSA-N 2 0 315.505 2.958 20 0 DFADRP O[C@@H]1CCCC[C@@H]1[N@H+]1C[C@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1 ZINC000310006359 275053092 /nfs/dbraw/zinc/05/30/92/275053092.db2.gz HWTJIVUCXINUBC-YSTOQKLRSA-N 2 0 314.473 2.744 20 0 DFADRP CC(C)[C@](C)(O)C[N@H+](C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000364352797 429189566 /nfs/dbraw/zinc/18/95/66/429189566.db2.gz LKLNPYSADPGZKV-GOSISDBHSA-N 2 0 305.466 2.637 20 0 DFADRP CC[NH+](CC)CCOCC[NH2+][C@H]1CS[C@H](C(C)(C)C)C1 ZINC000488560291 429183505 /nfs/dbraw/zinc/18/35/05/429183505.db2.gz ORRPKFFSYQPRBM-CABCVRRESA-N 2 0 302.528 2.855 20 0 DFADRP CC[NH+](CC)CC1CCN(C(=O)[C@H](C)[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000436244187 429191659 /nfs/dbraw/zinc/19/16/59/429191659.db2.gz CEWOIUFTRSNSAL-BBWFWOEESA-N 2 0 323.525 2.828 20 0 DFADRP COc1ccc(C[NH2+]Cc2ccc(C[NH+]3CCCC3)cc2)cn1 ZINC000436283532 429192968 /nfs/dbraw/zinc/19/29/68/429192968.db2.gz WCQHIGBGDZWGRD-UHFFFAOYSA-N 2 0 311.429 2.976 20 0 DFADRP CCC[N@@H+]1CC[C@@H](C[NH2+]Cc2c[nH]nc2-c2ccsc2)C1 ZINC000436272460 429193425 /nfs/dbraw/zinc/19/34/25/429193425.db2.gz HLIXAMRWNJCKGD-ZDUSSCGKSA-N 2 0 304.463 2.960 20 0 DFADRP c1cc(-c2n[nH]cc2C[NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)cs1 ZINC000436292602 429194036 /nfs/dbraw/zinc/19/40/36/429194036.db2.gz SVHISAYUCKUEST-GFCCVEGCSA-N 2 0 302.447 2.712 20 0 DFADRP C[NH+](C)[C@@H]1CCC[C@@H]([NH2+]CC(C)(C)NC(=O)OC(C)(C)C)C1 ZINC000495428748 429206965 /nfs/dbraw/zinc/20/69/65/429206965.db2.gz BCFGYWBWJYYQKE-ZIAGYGMSSA-N 2 0 313.486 2.752 20 0 DFADRP C[C@H]1C[C@H](C[NH3+])C[N@@H+]1CCOc1ccc(OC(F)(F)F)cc1 ZINC000442769161 429235863 /nfs/dbraw/zinc/23/58/63/429235863.db2.gz MYJUBQXQMJLUFP-NWDGAFQWSA-N 2 0 318.339 2.633 20 0 DFADRP C=Cn1cc(C[N@H+](C)CC2CCN(c3cc[nH+]cc3)CC2)cn1 ZINC000364763988 429263482 /nfs/dbraw/zinc/26/34/82/429263482.db2.gz JBFZRPBEXNRZSI-UHFFFAOYSA-N 2 0 311.433 2.727 20 0 DFADRP COC1(C[NH2+]C[C@@H]2CC[N@H+](C)[C@H]2c2cccs2)CCOCC1 ZINC000364762753 429263752 /nfs/dbraw/zinc/26/37/52/429263752.db2.gz BXKWHDUYGNSBJI-GOEBONIOSA-N 2 0 324.490 2.526 20 0 DFADRP C[N@@H+]1CCC[C@H](CNC(=O)C(C)(C)[NH3+])[C@H]1c1cccc(Cl)c1 ZINC000364848544 429267426 /nfs/dbraw/zinc/26/74/26/429267426.db2.gz ALWZTTYUDIOLHL-UKRRQHHQSA-N 2 0 323.868 2.576 20 0 DFADRP C[C@]1(CNc2ncnc3[nH]ccc32)CCC[N@@H+]1Cc1ccccc1 ZINC000489949378 429268857 /nfs/dbraw/zinc/26/88/57/429268857.db2.gz UGYDCBDLEJPQBK-LJQANCHMSA-N 2 0 321.428 3.425 20 0 DFADRP C[N@H+](CC1CCN(c2cc[nH+]cc2)CC1)[C@H]1CCCC[C@H]1O ZINC000364986972 429271115 /nfs/dbraw/zinc/27/11/15/429271115.db2.gz LLQYXADKPPCFLL-ZWKOTPCHSA-N 2 0 303.450 2.533 20 0 DFADRP CS[C@@H]1CC[C@@H]1[NH2+]Cc1ccccc1C[NH+]1CCC(O)CC1 ZINC000425352980 429272851 /nfs/dbraw/zinc/27/28/51/429272851.db2.gz MYMOWGFORYLOTI-ZWKOTPCHSA-N 2 0 320.502 2.627 20 0 DFADRP CC[C@H]([NH2+]Cc1ccc(N2CC[NH+](C)CC2)nc1)C1CCCC1 ZINC000449070968 429323617 /nfs/dbraw/zinc/32/36/17/429323617.db2.gz GKFPWVSIMWOZDW-SFHVURJKSA-N 2 0 316.493 2.892 20 0 DFADRP CCn1nnc(C)c1C[NH2+]Cc1cccc(C[NH+](CC)CC)c1 ZINC000449091736 429329929 /nfs/dbraw/zinc/32/99/29/429329929.db2.gz RMRXSTBYCSWYIR-UHFFFAOYSA-N 2 0 315.465 2.738 20 0 DFADRP C[C@H](Cc1ccoc1)[NH2+]Cc1ccccc1OCC[NH+](C)C ZINC000449103476 429332218 /nfs/dbraw/zinc/33/22/18/429332218.db2.gz BCQVVWCKXVZMNF-OAHLLOKOSA-N 2 0 302.418 2.941 20 0 DFADRP Cc1cnn(CCCCC[N@@H+]2C[C@@H]3C[NH+]4CCCC[C@@H]4[C@@H]3C2)c1 ZINC000365535753 429337180 /nfs/dbraw/zinc/33/71/80/429337180.db2.gz IFCQRCPFSWOYTA-GUDVDZBRSA-N 2 0 316.493 2.778 20 0 DFADRP CSCC1CCC([NH2+]CCCC[N@@H+]2CCC[C@@H]2CO)CC1 ZINC000449146805 429344207 /nfs/dbraw/zinc/34/42/07/429344207.db2.gz DONHLXLFHIOJOE-OFLPRAFFSA-N 2 0 314.539 2.735 20 0 DFADRP c1cc2c(cc1C[NH2+]CCCC[NH+]1CCOCC1)CCCC2 ZINC000490568518 429293356 /nfs/dbraw/zinc/29/33/56/429293356.db2.gz JYJQWKXLFFVEJB-UHFFFAOYSA-N 2 0 302.462 2.767 20 0 DFADRP CO[C@H](C[N@H+](C)[C@@H]1CCC[NH+](C[C@@H](OC)C2CC2)CC1)C1CC1 ZINC000425425791 429294369 /nfs/dbraw/zinc/29/43/69/429294369.db2.gz UWFRSDZTODFGGS-GUDVDZBRSA-N 2 0 324.509 2.623 20 0 DFADRP COC(=O)[C@H](CC[N@@H+]1CCC[C@@H]([NH+](C)C)CC1)c1ccccc1 ZINC000425484874 429307252 /nfs/dbraw/zinc/30/72/52/429307252.db2.gz SWCBWSLUMGDOJO-QZTJIDSGSA-N 2 0 318.461 2.749 20 0 DFADRP C[NH+](C)[C@@H]1CCC[N@H+](CC2CCN(C(=O)C(C)(C)C)CC2)CC1 ZINC000365407765 429313235 /nfs/dbraw/zinc/31/32/35/429313235.db2.gz SOKIQIQGKVANFH-QGZVFWFLSA-N 2 0 323.525 2.687 20 0 DFADRP CCC[NH2+][C@H](C)C(=O)NCc1cccc(C[N@H+](C)C(C)C)c1 ZINC000449341150 429393215 /nfs/dbraw/zinc/39/32/15/429393215.db2.gz YAKOUGUNWOQWHL-OAHLLOKOSA-N 2 0 305.466 2.531 20 0 DFADRP CC(C)(C)[NH+]1CCC([NH2+]C[C@@H](O)Cc2cccc(F)c2)CC1 ZINC000449361552 429396615 /nfs/dbraw/zinc/39/66/15/429396615.db2.gz KYNAUSSYRSUDTC-KRWDZBQOSA-N 2 0 308.441 2.582 20 0 DFADRP Cn1ccnc1[C@H]([NH2+][C@@H]1CC[C@H](C[NH3+])C1)c1ccc(Cl)cc1 ZINC000517918863 429403133 /nfs/dbraw/zinc/40/31/33/429403133.db2.gz WAOXKCPFNHWBDO-APHBMKBZSA-N 2 0 318.852 2.880 20 0 DFADRP C[C@@H]1C[C@H]([NH2+]CC2=CCOCC2)CC[N@@H+]1Cc1ccccc1 ZINC000449402331 429407195 /nfs/dbraw/zinc/40/71/95/429407195.db2.gz LEIREDLBDSCWJF-VQIMIIECSA-N 2 0 300.446 2.976 20 0 DFADRP CC(C)(C)NC(=O)C[NH+]1CCC(C[NH2+][C@@H]2CCC(C)(C)C2)CC1 ZINC000449171406 429348313 /nfs/dbraw/zinc/34/83/13/429348313.db2.gz AAVNGIXDVRSNHM-MRXNPFEDSA-N 2 0 323.525 2.781 20 0 DFADRP C[C@@H](C[NH2+]Cc1cc(C2CC[NH2+]CC2)no1)CC(F)(F)F ZINC000425893989 429349455 /nfs/dbraw/zinc/34/94/55/429349455.db2.gz FFHGSOOALILVJP-SNVBAGLBSA-N 2 0 305.344 2.820 20 0 DFADRP Cc1cccc(CC[NH2+]C2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)c1 ZINC000449183251 429352656 /nfs/dbraw/zinc/35/26/56/429352656.db2.gz FHTLGSBPJQCBQA-PMACEKPBSA-N 2 0 316.489 2.895 20 0 DFADRP C[C@@H](Cc1ccccc1)[NH+]1CCC([NH2+][C@H]2CCCC[C@@H]2O)CC1 ZINC000449255930 429368036 /nfs/dbraw/zinc/36/80/36/429368036.db2.gz AZAMAEBZGBSEEC-VDGAXYAQSA-N 2 0 316.489 2.975 20 0 DFADRP CC[NH+](CC)CCOc1ccccc1C[NH2+][C@H]1CCC[C@H]([NH3+])C1 ZINC000514738829 429369529 /nfs/dbraw/zinc/36/95/29/429369529.db2.gz LAQVJVLLTARRMD-ROUUACIJSA-N 3 0 319.493 2.767 20 0 DFADRP C[N@@H+]1CCN(CC[NH2+]Cc2cccc3ccoc32)CC1(C)C ZINC000449299360 429379816 /nfs/dbraw/zinc/37/98/16/429379816.db2.gz ADWOPAZHLKDTML-UHFFFAOYSA-N 2 0 301.434 2.548 20 0 DFADRP CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)[C@H]2CCC[NH+]2C2CC2)C1 ZINC000426294276 429381532 /nfs/dbraw/zinc/38/15/32/429381532.db2.gz SWUSWCOQIYRRKQ-NVXWUHKLSA-N 2 0 321.509 2.630 20 0 DFADRP CC(C)(C[NH+]1CCCC1)NC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000457050452 429386542 /nfs/dbraw/zinc/38/65/42/429386542.db2.gz LPVFSVSLCILCKZ-INIZCTEOSA-N 2 0 321.509 2.632 20 0 DFADRP CCC[N@H+](CCN1CC[NH+](CC)CC1)Cc1cccc(C)c1F ZINC000449328296 429389284 /nfs/dbraw/zinc/38/92/84/429389284.db2.gz JBGDUONLLBTKGT-UHFFFAOYSA-N 2 0 321.484 2.984 20 0 DFADRP [NH3+][C@@H]1CCCC[C@H]1CC(=O)NC1CC[NH+](CC2CCCC2)CC1 ZINC000449333163 429390685 /nfs/dbraw/zinc/39/06/85/429390685.db2.gz AKFOCAIPPSHXAB-FUHWJXTLSA-N 2 0 321.509 2.665 20 0 DFADRP C[C@H](CC(=O)Nc1cccc(F)c1)[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000366259233 429441891 /nfs/dbraw/zinc/44/18/91/429441891.db2.gz NCZXLYZLPXPVDN-KBRIMQKVSA-N 2 0 319.424 2.759 20 0 DFADRP C[NH+]1CCC(CC(=O)NC[C@@H]2CCC[N@@H+]2C2CCCCC2)CC1 ZINC000366254897 429442852 /nfs/dbraw/zinc/44/28/52/429442852.db2.gz IYQWMHXIFOQKED-SFHVURJKSA-N 2 0 321.509 2.632 20 0 DFADRP CCC[N@H+](C)CC(=O)Nc1cc(C[NH+]2CCCC2)ccc1C ZINC000427487361 429452584 /nfs/dbraw/zinc/45/25/84/429452584.db2.gz OTUHYWOXYJOEAS-UHFFFAOYSA-N 2 0 303.450 2.871 20 0 DFADRP C[C@@H](Cc1cnn(C)c1)[NH2+]C1CC[NH+]([C@H]2CCC[C@@H](C)C2)CC1 ZINC000449584098 429456907 /nfs/dbraw/zinc/45/69/07/429456907.db2.gz JJPLZAJIMHPWTD-GJYPPUQNSA-N 2 0 318.509 2.984 20 0 DFADRP CCC1(C[NH2+][C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]23)COC1 ZINC000449601386 429459710 /nfs/dbraw/zinc/45/97/10/429459710.db2.gz RJJIUQGBXYKEEO-GUDVDZBRSA-N 2 0 314.473 2.913 20 0 DFADRP Cc1ccc(C[N@@H+]2CC[C@]3(CC[NH+](C)C3)C2)c(-c2ccnn2C)c1 ZINC000366488412 429461985 /nfs/dbraw/zinc/46/19/85/429461985.db2.gz IUTJELNKJVMSFV-FQEVSTJZSA-N 2 0 324.472 2.923 20 0 DFADRP CC[NH+](CC)C[C@@H]1CCCC[C@H]1[NH2+]C1CCC(NC(C)=O)CC1 ZINC000427720472 429467946 /nfs/dbraw/zinc/46/79/46/429467946.db2.gz NFRNKXVRKIBUMO-MKCYZYCBSA-N 2 0 323.525 2.924 20 0 DFADRP CO[C@@H]1COCC[C@@H]1C[NH2+]C1CC[NH+]([C@@H]2CCC[C@H](C)C2)CC1 ZINC000449462487 429425039 /nfs/dbraw/zinc/42/50/39/429425039.db2.gz VHTUOSKRJPMMFP-QFHJOOASSA-N 2 0 324.509 2.671 20 0 DFADRP CCC[N@H+](CC)Cc1ccc(C(=O)NC(C)(C)C[NH+](C)C)cc1 ZINC000457213041 429426438 /nfs/dbraw/zinc/42/64/38/429426438.db2.gz UFNRDHAZBRMTQF-UHFFFAOYSA-N 2 0 319.493 2.989 20 0 DFADRP CCCOc1cc(CN2CC[C@H]3[NH2+]CC[C@@H]3C2)ccc1OC ZINC000427102066 429431004 /nfs/dbraw/zinc/43/10/04/429431004.db2.gz RIEAJUIMLXHUDZ-HZPDHXFCSA-N 2 0 304.434 2.668 20 0 DFADRP CC(C)c1ccc([C@H]([NH3+])CNC(=O)C[C@H]2CCCC[C@H]2[NH3+])cc1 ZINC000294910425 275748371 /nfs/dbraw/zinc/74/83/71/275748371.db2.gz CCECRYGOQWOEQS-KZNAEPCWSA-N 2 0 317.477 2.834 20 0 DFADRP CCC[N@H+](CC)C[C@@H](C)NC(=O)c1ccccc1C[NH+](C)C ZINC000427878590 429475392 /nfs/dbraw/zinc/47/53/92/429475392.db2.gz WBJRFYHKAPIDDO-OAHLLOKOSA-N 2 0 305.466 2.598 20 0 DFADRP C[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+][C@H]2CCn3ccnc3C2)CC1 ZINC000427873362 429476522 /nfs/dbraw/zinc/47/65/22/429476522.db2.gz KVVWIVGNZGQTKK-BPQIPLTHSA-N 2 0 316.493 2.831 20 0 DFADRP Cc1nc(C[NH3+])ccc1[C@@H](C)NC1CC[NH+](C2CCCC2)CC1 ZINC000519761589 429486935 /nfs/dbraw/zinc/48/69/35/429486935.db2.gz CUKYXZIYZSVYFR-CQSZACIVSA-N 2 0 316.493 2.906 20 0 DFADRP C[C@@H]([NH2+][C@@H]1CCC[C@@H]1CO)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000449712467 429487025 /nfs/dbraw/zinc/48/70/25/429487025.db2.gz RXEBLJQTJBOLRJ-NXWXRZEISA-N 2 0 302.462 2.648 20 0 DFADRP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCC[C@H]2O)CCN1Cc1ccccc1 ZINC000449735219 429491761 /nfs/dbraw/zinc/49/17/61/429491761.db2.gz GHNNQRUDDRJQEW-QXCFHYIPSA-N 2 0 302.462 2.790 20 0 DFADRP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+]C[C@H](O)C2CCC2)CC1 ZINC000449739974 429493526 /nfs/dbraw/zinc/49/35/26/429493526.db2.gz NALKLKRYNFTZPD-UZLBHIALSA-N 2 0 316.489 2.833 20 0 DFADRP CCC[N@H+](CC)C[C@H](C)NC(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC000428499786 429530925 /nfs/dbraw/zinc/53/09/25/429530925.db2.gz IYUUABVJAIEPIT-IRXDYDNUSA-N 2 0 311.514 2.734 20 0 DFADRP COC1(C[NH2+]CC2CC[NH+](CCC(C)C)CC2)CCOCC1 ZINC000428885993 429559341 /nfs/dbraw/zinc/55/93/41/429559341.db2.gz HNBGOEZLUKLKDS-UHFFFAOYSA-N 2 0 312.498 2.530 20 0 DFADRP CC[C@@H]1Oc2cc([C@H](C)[NH2+][C@H]3CCC[NH2+]CC3)ccc2NC1=O ZINC000521859016 429565812 /nfs/dbraw/zinc/56/58/12/429565812.db2.gz OFIDVWYMTZCVQG-NOLJZWGESA-N 2 0 317.433 2.589 20 0 DFADRP [NH3+][C@@H]1CCC[C@@H]([NH2+][C@H]2CCN(c3ccc(F)c(Cl)c3)C2)C1 ZINC000521899486 429568571 /nfs/dbraw/zinc/56/85/71/429568571.db2.gz YDPXTVKHGOKSST-UPJWGTAASA-N 2 0 311.832 2.917 20 0 DFADRP Cc1nccn1CCCC[N@H+]1CCN([C@@H]2C[C@@H]2C)C[C@H](C)C1 ZINC000429024188 429572907 /nfs/dbraw/zinc/57/29/07/429572907.db2.gz WSTYBVQHHNFATJ-SOLBZPMBSA-N 2 0 304.482 2.634 20 0 DFADRP Fc1ccccc1C[N@@H+]1CCCN(CCC[NH+]2CCCC2)CC1 ZINC000366878784 429533717 /nfs/dbraw/zinc/53/37/17/429533717.db2.gz FFNDTJLIBKKEMT-UHFFFAOYSA-N 2 0 319.468 2.819 20 0 DFADRP CCC[NH+](CCC)CCCC(=O)N1C[C@@H]([NH+]2CCCC2)C[C@@H]1C ZINC000367331200 429623339 /nfs/dbraw/zinc/62/33/39/429623339.db2.gz DMEWPFUIJBKCKW-ROUUACIJSA-N 2 0 323.525 2.974 20 0 DFADRP CO[C@H](Cc1ccccc1)C[N@@H+]1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000450456407 429631543 /nfs/dbraw/zinc/63/15/43/429631543.db2.gz SRKAJSGGDRGTBA-WOJBJXKFSA-N 2 0 316.489 2.908 20 0 DFADRP CC[N@@H+]1CC[C@@H](N(C)CC[NH+](C)Cc2ccccc2)[C@@H](C)C1 ZINC000450557935 429647933 /nfs/dbraw/zinc/64/79/33/429647933.db2.gz DHUNHPYLHMIWRR-PKOBYXMFSA-N 2 0 303.494 2.781 20 0 DFADRP CC[N@@H+]1CC[C@H]([NH+](C)C[C@H](O)[C@H](C)c2ccccc2)[C@@H](C)C1 ZINC000450561262 429648947 /nfs/dbraw/zinc/64/89/47/429648947.db2.gz GXKOTHYEMZXSQC-NBMJBFSESA-N 2 0 304.478 2.813 20 0 DFADRP CC[N@H+](Cc1ccc(C(=O)N[C@@H]2CCC[C@H]2C[NH3+])cc1)C1CC1 ZINC000429275745 429595127 /nfs/dbraw/zinc/59/51/27/429595127.db2.gz LJMJGPWXVYJTMX-FUHWJXTLSA-N 2 0 315.461 2.528 20 0 DFADRP CC[NH+](CC)CCC[N@@H+]1CC[C@@H](c2ccccc2)[C@@H](CO)C1 ZINC000367225638 429600097 /nfs/dbraw/zinc/60/00/97/429600097.db2.gz UKRIIAWWGXQXRK-MOPGFXCFSA-N 2 0 304.478 2.816 20 0 DFADRP CC(C)[NH+]1CCC([NH2+]C[C@]2(CO)C[C@H]2c2ccc(F)cc2)CC1 ZINC000429432746 429607539 /nfs/dbraw/zinc/60/75/39/429607539.db2.gz VGHLTODIGPYZMR-OALUTQOASA-N 2 0 320.452 2.754 20 0 DFADRP OC[C@]1(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)C[C@@H]1c1ccc(F)cc1 ZINC000429407609 429608136 /nfs/dbraw/zinc/60/81/36/429608136.db2.gz JXFMRGPSIDMENA-FCGDIQPGSA-N 2 0 318.436 2.508 20 0 DFADRP CCc1nn(C)c(CC)c1C[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@@H]21 ZINC000367539337 429667560 /nfs/dbraw/zinc/66/75/60/429667560.db2.gz YRUUNJBICRTDNK-QBIMZIAESA-N 2 0 304.482 2.507 20 0 DFADRP CCCc1ccc([C@H](C)[NH2+][C@@H](C)CN2CC[NH+](C)CC2)cc1 ZINC000154986371 276056092 /nfs/dbraw/zinc/05/60/92/276056092.db2.gz YJAITUBZLZNRDB-IRXDYDNUSA-N 2 0 303.494 2.926 20 0 DFADRP CC[NH+](CC)Cc1ccc(CNC(=O)[C@@H]2CCC[C@@H]2C[NH3+])cc1 ZINC000261625782 276110110 /nfs/dbraw/zinc/11/01/10/276110110.db2.gz BFGKACGCAWXEEG-QZTJIDSGSA-N 2 0 317.477 2.520 20 0 DFADRP CC[NH+]1CCC([NH2+]C[C@]2(CC)OCCc3ccccc32)CC1 ZINC000289801365 276151170 /nfs/dbraw/zinc/15/11/70/276151170.db2.gz NWUMNXWTIRTPBT-IBGZPJMESA-N 2 0 302.462 2.939 20 0 DFADRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@H](c1ncc[nH]1)C1CCCCC1 ZINC000367597616 429680362 /nfs/dbraw/zinc/68/03/62/429680362.db2.gz BXZHUZQHYUPXSC-SJORKVTESA-N 2 0 322.497 2.978 20 0 DFADRP CC[NH+]1CCN(CCC[NH2+][C@H]2CCCc3sccc32)CC1 ZINC000154300476 276195151 /nfs/dbraw/zinc/19/51/51/276195151.db2.gz PTZZTUMEWSPBRV-INIZCTEOSA-N 2 0 307.507 2.743 20 0 DFADRP CC[NH+]1CCN([C@H]2CC[N@H+](CC3CCC(C)(C)CC3)C2)CC1 ZINC000093133009 276200812 /nfs/dbraw/zinc/20/08/12/276200812.db2.gz NKQKHRXGWYRWHT-SFHVURJKSA-N 2 0 307.526 2.915 20 0 DFADRP C[NH+](C)Cc1cc(C[NH2+][C@@H]2CCCc3n[nH]cc32)ccc1F ZINC000367603090 429682926 /nfs/dbraw/zinc/68/29/26/429682926.db2.gz YFAFZWGEGXWFPD-MRXNPFEDSA-N 2 0 302.397 2.778 20 0 DFADRP CC[N@@H+]1CC[C@@H]([NH2+]CCc2cc(F)cc3c2OCOC3)[C@@H](C)C1 ZINC000247047387 276216664 /nfs/dbraw/zinc/21/66/64/276216664.db2.gz OOBVYWZZHLLPNP-SUMWQHHRSA-N 2 0 322.424 2.555 20 0 DFADRP CC[N@@H+]1CC[C@H]([NH+](C)CCC(=O)Nc2ccccc2F)[C@@H](C)C1 ZINC000245429369 276224723 /nfs/dbraw/zinc/22/47/23/276224723.db2.gz NBWNCCSMPUGYJC-YOEHRIQHSA-N 2 0 321.440 2.816 20 0 DFADRP CCN(Cc1nc(C(C)(C)[NH3+])no1)Cc1cccc(Cl)c1 ZINC000430544406 429689371 /nfs/dbraw/zinc/68/93/71/429689371.db2.gz GGOZCVIJXKSYNV-UHFFFAOYSA-N 2 0 308.813 2.939 20 0 DFADRP CCC[NH+](CCC)CCCC(=O)N1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000371229649 276252470 /nfs/dbraw/zinc/25/24/70/276252470.db2.gz JTFGROOVCQOTAA-ZWKOTPCHSA-N 2 0 323.525 2.879 20 0 DFADRP C[N@@H+]1CC[C@H]([NH2+]Cc2ccnc(N3CCCC3)c2)[C@@H]2CCC[C@@H]21 ZINC000367639285 429691398 /nfs/dbraw/zinc/69/13/98/429691398.db2.gz UTFFWAKWNHYVLE-BZSNNMDCSA-N 2 0 314.477 2.644 20 0 DFADRP CCOC(=O)C1(C)CCC([NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000353929413 276273271 /nfs/dbraw/zinc/27/32/71/276273271.db2.gz MECBSLUZHDPIBG-BNQMIIOLSA-N 2 0 308.466 2.715 20 0 DFADRP C[C@@](C[NH3+])([NH2+]CCOc1ccccc1C(F)(F)F)C1CC1 ZINC000430593175 429698436 /nfs/dbraw/zinc/69/84/36/429698436.db2.gz OFZYSZTXVPSARN-AWEZNQCLSA-N 2 0 302.340 2.801 20 0 DFADRP CC(C)[NH+]1CCC(O)(C[NH2+]Cc2ccc(C(F)F)cc2)CC1 ZINC000525988423 429692934 /nfs/dbraw/zinc/69/29/34/429692934.db2.gz UCUREDZQTAOQPS-UHFFFAOYSA-N 2 0 312.404 2.949 20 0 DFADRP CC[NH+](CC)C[C@H]1CCN([C@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000271254541 276334532 /nfs/dbraw/zinc/33/45/32/276334532.db2.gz GGNGRCUBQFQSNX-UXHICEINSA-N 2 0 315.505 2.925 20 0 DFADRP CC[NH+](CC)Cc1ccc(C[NH2+][C@H]2CC[N@H+](C)C[C@H]2C)cc1 ZINC000359608995 276335020 /nfs/dbraw/zinc/33/50/20/276335020.db2.gz UFQPCZVQBIQAPQ-APWZRJJASA-N 3 0 303.494 2.958 20 0 DFADRP CC(C)[C@H]([NH3+])CC[N@H+](C)CCC(=O)Nc1cc(F)cc(F)c1 ZINC000430580949 429695289 /nfs/dbraw/zinc/69/52/89/429695289.db2.gz GRKVUATURROSLW-OAHLLOKOSA-N 2 0 313.392 2.599 20 0 DFADRP C[C@H]([NH3+])[C@H]1CCC[N@H+](CCC(=O)Nc2ccc(Cl)cc2)C1 ZINC000430578345 429696133 /nfs/dbraw/zinc/69/61/33/429696133.db2.gz YLUXZRDCLJAKBE-STQMWFEESA-N 2 0 309.841 2.728 20 0 DFADRP Cc1c(F)cccc1NC(=O)CC[N@@H+](C)CC[C@H]([NH3+])C(C)C ZINC000430579270 429696933 /nfs/dbraw/zinc/69/69/33/429696933.db2.gz YJPYPELGLQXHNX-HNNXBMFYSA-N 2 0 309.429 2.768 20 0 DFADRP [NH3+]C[C@H]1CCC[N@H+](Cc2ccc(OCc3cccnc3)cc2)C1 ZINC000430614515 429701246 /nfs/dbraw/zinc/70/12/46/429701246.db2.gz YXIXZGNOQPTERA-QGZVFWFLSA-N 2 0 311.429 2.831 20 0 DFADRP C[C@H](c1ccc(Cl)cc1)N(C)C(=O)C[NH+]1CCC(C[NH3+])CC1 ZINC000430605948 429701821 /nfs/dbraw/zinc/70/18/21/429701821.db2.gz TYHFTKOJXSVKHE-CYBMUJFWSA-N 2 0 323.868 2.530 20 0 DFADRP [NH3+]C[C@@H]1CCC[N@H+](CCOc2ccc(C(F)(F)F)cc2)C1 ZINC000430642127 429706335 /nfs/dbraw/zinc/70/63/35/429706335.db2.gz UWICKAHYCRQULT-LBPRGKRZSA-N 2 0 302.340 2.755 20 0 DFADRP CC1CC[NH+](C[C@@H](O)C[NH2+]CCSCc2ccccc2)CC1 ZINC000430775010 429716678 /nfs/dbraw/zinc/71/66/78/429716678.db2.gz FKOZORNVHPHBPJ-SFHVURJKSA-N 2 0 322.518 2.602 20 0 DFADRP C[C@H]1C[N@H+](CCc2nc(-c3cccc(Cl)c3)no2)CC[C@@H]1[NH3+] ZINC000430917745 429722471 /nfs/dbraw/zinc/72/24/71/429722471.db2.gz FGCBEKRVDCIBAV-FZMZJTMJSA-N 2 0 320.824 2.602 20 0 DFADRP C[C@@H]1C[N@H+](CCc2nc(-c3cccc(Cl)c3)no2)CC[C@@H]1[NH3+] ZINC000430917746 429722811 /nfs/dbraw/zinc/72/28/11/429722811.db2.gz FGCBEKRVDCIBAV-RISCZKNCSA-N 2 0 320.824 2.602 20 0 DFADRP C[C@H]([NH3+])C1CC[NH+](CC(=O)NCCCC2CCCCC2)CC1 ZINC000430920829 429722877 /nfs/dbraw/zinc/72/28/77/429722877.db2.gz QJZQOLKJHZJBJI-HNNXBMFYSA-N 2 0 309.498 2.522 20 0 DFADRP Cc1cc(C)c(NC(=O)[C@H](C)[NH+]2CCC([C@@H](C)[NH3+])CC2)c(C)c1 ZINC000430919642 429723871 /nfs/dbraw/zinc/72/38/71/429723871.db2.gz RGNYCLGKIZUSBZ-CVEARBPZSA-N 2 0 317.477 2.998 20 0 DFADRP Cc1ccc(-c2n[nH]cc2C[NH+]2CCC3(CC[NH2+]C3)CC2)o1 ZINC000430933360 429724397 /nfs/dbraw/zinc/72/43/97/429724397.db2.gz IANLERDJAJHMAI-UHFFFAOYSA-N 2 0 300.406 2.554 20 0 DFADRP CSc1ccccc1NC(=O)CC[N@@H+]1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000430959972 429729917 /nfs/dbraw/zinc/72/99/17/429729917.db2.gz FYZVVUDNSNHNMO-KGLIPLIRSA-N 2 0 321.490 2.796 20 0 DFADRP CSc1ccccc1NC(=O)CC[N@@H+]1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000430959974 429730126 /nfs/dbraw/zinc/73/01/26/429730126.db2.gz FYZVVUDNSNHNMO-ZIAGYGMSSA-N 2 0 321.490 2.796 20 0 DFADRP c1csc(-c2nc(C[NH+]3CCC4(CC[NH2+]C4)CC3)co2)c1 ZINC000431017544 429736139 /nfs/dbraw/zinc/73/61/39/429736139.db2.gz QYGSBCFOUGJPTG-UHFFFAOYSA-N 2 0 303.431 2.979 20 0 DFADRP c1cc(-c2nc(C[NH+]3CCC4(CC[NH2+]C4)CC3)cs2)co1 ZINC000431039812 429737448 /nfs/dbraw/zinc/73/74/48/429737448.db2.gz YHRZZYGBEPZLMG-UHFFFAOYSA-N 2 0 303.431 2.979 20 0 DFADRP C[NH+]1CCC(N[C@@H]2C[C@H](C3CC3)[N@H+](Cc3ccccc3)C2)CC1 ZINC000367893977 429738084 /nfs/dbraw/zinc/73/80/84/429738084.db2.gz AOKUDSYQTSXWOR-WOJBJXKFSA-N 2 0 313.489 2.723 20 0 DFADRP CC[C@H](Cc1ccccc1)[N@H+](C)Cc1nc(C(C)(C)[NH3+])no1 ZINC000431076968 429739671 /nfs/dbraw/zinc/73/96/71/429739671.db2.gz ABOPUGBXRRLSQD-CQSZACIVSA-N 2 0 302.422 2.717 20 0 DFADRP CCC[N@H+](CCC(=O)Nc1cccc(F)c1C)C1CC[NH2+]CC1 ZINC000431070840 429740189 /nfs/dbraw/zinc/74/01/89/429740189.db2.gz ZLVVIJOSDBEACM-UHFFFAOYSA-N 2 0 321.440 2.927 20 0 DFADRP c1cnn(CCC[NH2+][C@@H]2C[C@@H](C3CC3)N(Cc3ccccc3)C2)c1 ZINC000367908888 429741499 /nfs/dbraw/zinc/74/14/99/429741499.db2.gz DIGPRYAQVVYUKD-UXHICEINSA-N 2 0 324.472 2.916 20 0 DFADRP C[C@@H]1[C@H](c2ccccc2)CC[N@@H+]1Cc1nc(C(C)(C)[NH3+])no1 ZINC000431103123 429744624 /nfs/dbraw/zinc/74/46/24/429744624.db2.gz VWESXOTUTLTKON-TZMCWYRMSA-N 2 0 300.406 2.641 20 0 DFADRP CC(C)[C@H](O)C[N@H+](C)[C@H]1CCN(Cc2ccccc2)C[C@H]1C ZINC000367930578 429745237 /nfs/dbraw/zinc/74/52/37/429745237.db2.gz JDKBPJCEVOBHIK-NZSAHSFTSA-N 2 0 304.478 2.846 20 0 DFADRP CCC1([NH2+]CC(=O)NC[C@H](c2ccccc2)[NH+](C)C)CCCC1 ZINC000451270347 429801872 /nfs/dbraw/zinc/80/18/72/429801872.db2.gz BXNRHZVMWCIYNH-QGZVFWFLSA-N 2 0 317.477 2.718 20 0 DFADRP Cc1n[nH]cc1CN1C[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000367958555 429752300 /nfs/dbraw/zinc/75/23/00/429752300.db2.gz DPNPLVBLPOKZSY-IEBWSBKVSA-N 2 0 310.445 2.672 20 0 DFADRP Cc1cnn(C)c1CN1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000367955263 429752938 /nfs/dbraw/zinc/75/29/38/429752938.db2.gz BBIWMINIIHEBMT-OALUTQOASA-N 2 0 324.472 2.682 20 0 DFADRP C[C@H](CCNC(=O)c1ccccc1C[NH+](C)C)[NH+]1CCCCC1 ZINC000487006109 429759512 /nfs/dbraw/zinc/75/95/12/429759512.db2.gz HURPZRFDHRALAV-MRXNPFEDSA-N 2 0 317.477 2.743 20 0 DFADRP CCC[NH+]1CCC(NC(=O)C[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC000431614309 429773544 /nfs/dbraw/zinc/77/35/44/429773544.db2.gz NFTLKFDBMTZVSD-GOSISDBHSA-N 2 0 317.477 2.670 20 0 DFADRP Cc1cc(C[N@@H+](C)[C@@H]2CCN(C3CC[NH+](C)CC3)C2)ccc1F ZINC000368051186 429774712 /nfs/dbraw/zinc/77/47/12/429774712.db2.gz KRDVQTMDHZOJLH-GOSISDBHSA-N 2 0 319.468 2.734 20 0 DFADRP C[N@@H+]1CCCC[C@H]1CCC(=O)NCC(C)(C)[NH+]1CCCCC1 ZINC000431659796 429775098 /nfs/dbraw/zinc/77/50/98/429775098.db2.gz KVJZEPGZAUPMDP-INIZCTEOSA-N 2 0 309.498 2.632 20 0 DFADRP C[C@@H](C[NH2+]Cc1cn(C)nc1-c1ccc(F)cc1)C[NH+](C)C ZINC000451171348 429778631 /nfs/dbraw/zinc/77/86/31/429778631.db2.gz ISAKERSXAXALKA-ZDUSSCGKSA-N 2 0 304.413 2.514 20 0 DFADRP C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)CC[C@@H]2CCCC[N@@H+]2C)C1 ZINC000431725963 429778776 /nfs/dbraw/zinc/77/87/76/429778776.db2.gz OUTMNCFPPTXFQH-KURKYZTESA-N 2 0 323.525 2.735 20 0 DFADRP C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)CC[C@@H]2CCCC[NH+]2C)C1 ZINC000431718458 429779403 /nfs/dbraw/zinc/77/94/03/429779403.db2.gz DATJMILZPSBFJN-SJORKVTESA-N 2 0 323.525 2.878 20 0 DFADRP C[C@@H]([NH2+]Cc1ccccc1C[N@@H+]1CC[C@H](O)C1)[C@@H]1C[C@H]1C1CC1 ZINC000527692313 429780342 /nfs/dbraw/zinc/78/03/42/429780342.db2.gz SBFFKQFNKAFFPU-DPZWOIPNSA-N 2 0 314.473 2.777 20 0 DFADRP C[C@H]1CCC[N@H+](CCCCNC(=O)CC[C@H]2CCCC[NH+]2C)C1 ZINC000431746889 429780512 /nfs/dbraw/zinc/78/05/12/429780512.db2.gz XEDBDYDUJJTULL-ZWKOTPCHSA-N 2 0 323.525 2.879 20 0 DFADRP C[N@@H+]1CCC[C@@H]1CC[NH+]1CCC[C@@](O)(c2ccccc2)CC1 ZINC000368072732 429781318 /nfs/dbraw/zinc/78/13/18/429781318.db2.gz PZLKGTPZXTUKFV-MOPGFXCFSA-N 2 0 302.462 2.844 20 0 DFADRP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)CC[C@@H]1CCCC[NH+]1C ZINC000431784581 429782655 /nfs/dbraw/zinc/78/26/55/429782655.db2.gz LZHLOWDQPIGTDA-SJORKVTESA-N 2 0 309.498 2.632 20 0 DFADRP CC[NH+](CC)[C@H](C)CNC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC000431906937 429789462 /nfs/dbraw/zinc/78/94/62/429789462.db2.gz KEKQEKPYGZJAPP-NVXWUHKLSA-N 2 0 309.498 2.630 20 0 DFADRP CC[NH+](CC)[C@@H](C)CNC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC000431906936 429790310 /nfs/dbraw/zinc/79/03/10/429790310.db2.gz KEKQEKPYGZJAPP-DOTOQJQBSA-N 2 0 309.498 2.630 20 0 DFADRP C[C@@H]1C[N@H+](CCC[NH2+]C/C=C\c2ccc(F)cc2)CCCO1 ZINC000432357739 429817362 /nfs/dbraw/zinc/81/73/62/429817362.db2.gz NFMBDBBTQQMJHG-SVERHTFXSA-N 2 0 306.425 2.929 20 0 DFADRP CN(C)c1cc[nH+]cc1CNC[C@H]1CC[N@H+](C)[C@H]1c1ccccc1 ZINC000368281340 429824401 /nfs/dbraw/zinc/82/44/01/429824401.db2.gz BJARFKWBDHQZMR-XLIONFOSSA-N 2 0 324.472 2.930 20 0 DFADRP CC1(C[NH+]2CCOCC2)CC[NH+]([C@@H]2C[C@H]2c2ccccc2)CC1 ZINC000368283919 429824917 /nfs/dbraw/zinc/82/49/17/429824917.db2.gz ZMJFOEYZBNAQRG-RBUKOAKNSA-N 2 0 314.473 2.977 20 0 DFADRP c1ccc(C[N@H+]2C[C@@H]3CCC[C@@H]([NH2+]CC4COC4)[C@H]3C2)cc1 ZINC000528027400 429838346 /nfs/dbraw/zinc/83/83/46/429838346.db2.gz SWKDCIZXVIDWIB-GBESFXJTSA-N 2 0 300.446 2.523 20 0 DFADRP c1ccc(C[N@H+]2C[C@@H]3CCCC[C@H]([NH2+]CC4COC4)[C@@H]3C2)cc1 ZINC000528024955 429839043 /nfs/dbraw/zinc/83/90/43/429839043.db2.gz FHZXYLLGRRPMSX-ZCNNSNEGSA-N 2 0 314.473 2.913 20 0 DFADRP CO[C@H](c1ccccc1)[C@H](C)[NH2+]C[C@H]1CN(CC(C)C)CCO1 ZINC000493900292 429848553 /nfs/dbraw/zinc/84/85/53/429848553.db2.gz KXRNHIOPBCRKFG-WDSOQIARSA-N 2 0 320.477 2.709 20 0 DFADRP c1c(CC[NH2+][C@H]2CCc3ccccc3OC2)nc2n1CCCC2 ZINC000493929775 429850269 /nfs/dbraw/zinc/85/02/69/429850269.db2.gz ZRHFMFYTPDFQJY-KRWDZBQOSA-N 2 0 311.429 2.745 20 0 DFADRP COc1cc2c(cc1F)[nH+]ccc2N1CC[C@@H]2CC[N@H+](C)[C@@H]2C1 ZINC000368448439 429851002 /nfs/dbraw/zinc/85/10/02/429851002.db2.gz AKWLBHHCWQRWRL-YVEFUNNKSA-N 2 0 315.392 2.913 20 0 DFADRP COc1ccc2c(c1)OCCC[C@@H]2[NH2+][C@H]1CN(C2CC2)C[C@@H]1C ZINC000368482626 429854749 /nfs/dbraw/zinc/85/47/49/429854749.db2.gz NSGYPZBIWAELIF-KKXDTOCCSA-N 2 0 316.445 2.981 20 0 DFADRP Cc1nccn1CCC[N@@H+]1CC2(CCOCC2)[C@@H]2CCC[C@@H]21 ZINC000451626854 429863316 /nfs/dbraw/zinc/86/33/16/429863316.db2.gz LVEWMRDDNXCYBJ-SJORKVTESA-N 2 0 303.450 2.863 20 0 DFADRP OCc1ccc(F)c(C[NH+]2CCC(C[NH+]3CCCC3)CC2)c1 ZINC000528353736 429878252 /nfs/dbraw/zinc/87/82/52/429878252.db2.gz VAXUDPDDMBTPOS-UHFFFAOYSA-N 2 0 306.425 2.626 20 0 DFADRP CO[C@H](C[NH+]1CCN(c2cc[nH+]cc2)CC1)c1ccc(F)cc1 ZINC000528405555 429886451 /nfs/dbraw/zinc/88/64/51/429886451.db2.gz TUVLRIUWFVJMOF-GOSISDBHSA-N 2 0 315.392 2.730 20 0 DFADRP C[C@@H]1CC[N@H+](Cc2cc(CO)ccc2F)C[C@@H]1n1ccnc1 ZINC000528422904 429886616 /nfs/dbraw/zinc/88/66/16/429886616.db2.gz GAGQEBYTQQJRNA-DYVFJYSZSA-N 2 0 303.381 2.598 20 0 DFADRP Cc1nccn1CCCC[N@@H+]1CC[C@H](Oc2cccnc2C)C1 ZINC000368988805 429905929 /nfs/dbraw/zinc/90/59/29/429905929.db2.gz BUKYZNXPEQHHFI-KRWDZBQOSA-N 2 0 314.433 2.828 20 0 DFADRP c1nc(C2CC2)nc2c1CN(CCC[NH+]1CCCCC1)CC2 ZINC000528740824 429911826 /nfs/dbraw/zinc/91/18/26/429911826.db2.gz UEFOBBJLKMNBNP-UHFFFAOYSA-N 2 0 300.450 2.588 20 0 DFADRP CC(C)[NH+]1CCN(CCC[N@@H+]2CC[C@@]3(CC[C@@H](C)C3)C2)CC1 ZINC000369122241 429914288 /nfs/dbraw/zinc/91/42/88/429914288.db2.gz OFDQODWBCMBDIP-RTBURBONSA-N 2 0 307.526 2.915 20 0 DFADRP Cn1nccc1[C@@H]1CCC[C@H]([NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)C1 ZINC000369142735 429915616 /nfs/dbraw/zinc/91/56/16/429915616.db2.gz JTSXFOSFBHPODP-XHSDSOJGSA-N 2 0 302.466 2.520 20 0 DFADRP Cc1ccc(O)c(C[NH2+]C[C@H]2CC[N@H+](Cc3ccccc3)C2)n1 ZINC000369136845 429915710 /nfs/dbraw/zinc/91/57/10/429915710.db2.gz AKWYOSLOONSXAT-QGZVFWFLSA-N 2 0 311.429 2.707 20 0 DFADRP C[C@H](C[C@@H](C)[NH2+]C[C@H]1CCC[N@H+](C)C1)NC(=O)OC(C)(C)C ZINC000494467956 429875760 /nfs/dbraw/zinc/87/57/60/429875760.db2.gz GYHQOSIUILRGTA-RBSFLKMASA-N 2 0 313.486 2.610 20 0 DFADRP CC(C)C[N@@H+]1CC[C@@H](CNC(=O)CC[C@H]([NH3+])c2ccccc2)C1 ZINC000573561286 429961591 /nfs/dbraw/zinc/96/15/91/429961591.db2.gz CGRDVPMXHNRPRI-WMZOPIPTSA-N 2 0 317.477 2.561 20 0 DFADRP c1ccc(CN2CC[C@@H]([NH2+][C@H]3CCCOC3)CC23CC3)cc1 ZINC000573563578 429962073 /nfs/dbraw/zinc/96/20/73/429962073.db2.gz FBVRVPDKQDJTCB-MSOLQXFVSA-N 2 0 300.446 2.952 20 0 DFADRP C[N@@H+]1CCN([C@H]2CC[NH+](Cc3ccccc3)C2)C[C@@H]1C(C)(C)C ZINC000639748377 429968058 /nfs/dbraw/zinc/96/80/58/429968058.db2.gz ZNGVYLTVVOLSKD-RBUKOAKNSA-N 2 0 315.505 2.923 20 0 DFADRP CO[C@H](Cc1ccccc1)C[N@@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC000639756634 429971580 /nfs/dbraw/zinc/97/15/80/429971580.db2.gz ZSIXKTBWICXEKA-GOSISDBHSA-N 2 0 302.462 2.662 20 0 DFADRP Cc1ccc(C[N@@H+](C)CCCN(C)CC[NH+](C)C)cc1Cl ZINC000558425214 429971679 /nfs/dbraw/zinc/97/16/79/429971679.db2.gz UKGUNHDOBDKEHT-UHFFFAOYSA-N 2 0 311.901 2.964 20 0 DFADRP CCOc1ccc(OCC[N@@H+]2CCC3(C2)CC[NH+](C)CC3)cc1 ZINC000639759773 429973464 /nfs/dbraw/zinc/97/34/64/429973464.db2.gz JGQITZZWZVWTIC-UHFFFAOYSA-N 2 0 318.461 2.882 20 0 DFADRP CC(C)C[C@@H](CNC(=O)CCC[NH3+])[NH2+][C@H](C)c1ccccc1 ZINC000573717754 429976303 /nfs/dbraw/zinc/97/63/03/429976303.db2.gz BEHMKNDKRIQCET-WBVHZDCISA-N 2 0 305.466 2.607 20 0 DFADRP [NH3+][C@@H]1CCC[C@H]([NH2+]C2CC(N3CCC(C(F)(F)F)CC3)C2)C1 ZINC000573741389 429977850 /nfs/dbraw/zinc/97/78/50/429977850.db2.gz IBUMLCHQJKIWEG-DNDYEEKYSA-N 2 0 319.415 2.651 20 0 DFADRP COc1ccc([C@H](C[NH3+])C[NH+]2CCC(OC(C)C)CC2)cc1 ZINC000557336949 429936173 /nfs/dbraw/zinc/93/61/73/429936173.db2.gz XIXGUNBFWYBXMC-MRXNPFEDSA-N 2 0 306.450 2.627 20 0 DFADRP C[NH+](C)CCCCC(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000573268358 429939807 /nfs/dbraw/zinc/93/98/07/429939807.db2.gz SWKZBSGMGQEAGV-UHFFFAOYSA-N 2 0 309.498 2.632 20 0 DFADRP [NH3+]C[C@H]1CC[C@H](Nc2cc(N3CCc4ccccc43)ncn2)C1 ZINC000573823849 429986219 /nfs/dbraw/zinc/98/62/19/429986219.db2.gz HLSCWENCRBVVBY-ZFWWWQNUSA-N 2 0 309.417 2.710 20 0 DFADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)Cc1ccncc1Cl ZINC000529566716 430031342 /nfs/dbraw/zinc/03/13/42/430031342.db2.gz FRRBWHHNZXJANS-MRXNPFEDSA-N 2 0 324.900 2.583 20 0 DFADRP CCC1([NH+]2CCCC2)CCN(CCn2c(C)csc2=O)CC1 ZINC000639988377 430047051 /nfs/dbraw/zinc/04/70/51/430047051.db2.gz QAVQYMHBARQPPW-UHFFFAOYSA-N 2 0 323.506 2.559 20 0 DFADRP C[C@H]([NH2+][C@@H]1CCN(c2ccc(Cl)cc2)C1)[C@@H]1CCC[NH2+]C1 ZINC000573912453 429992401 /nfs/dbraw/zinc/99/24/01/429992401.db2.gz ROADHLSFWQJURV-SQWLQELKSA-N 2 0 307.869 2.896 20 0 DFADRP CC[C@H]1C[NH+](CCCC[N@@H+]2CCCO[C@@H](CC)C2)CCCO1 ZINC000559702156 430012368 /nfs/dbraw/zinc/01/23/68/430012368.db2.gz JDAMZFMUUTYQGY-ROUUACIJSA-N 2 0 312.498 2.768 20 0 DFADRP CCc1cccc(C[NH2+]CC2CC[NH+](CCN(C)C)CC2)c1 ZINC000574163654 430016804 /nfs/dbraw/zinc/01/68/04/430016804.db2.gz GYDNQYZOKUDNQI-UHFFFAOYSA-N 2 0 303.494 2.612 20 0 DFADRP C[C@H]([NH2+]C1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1)C1CC(F)(F)C1 ZINC000529543393 430026139 /nfs/dbraw/zinc/02/61/39/430026139.db2.gz KOWHDFOJSOANNW-APHBMKBZSA-N 2 0 316.436 2.778 20 0 DFADRP C[C@H](CC(=O)Nc1cccc(F)c1)[NH2+][C@H]1CC[NH2+]CC(C)(C)C1 ZINC000634733097 430093108 /nfs/dbraw/zinc/09/31/08/430093108.db2.gz XAXOOJCCPJMWIA-CJNGLKHVSA-N 2 0 321.440 2.911 20 0 DFADRP C[C@@H](CC(=O)N1CCCCCC1)[NH2+][C@H]1CC[NH2+]CC(C)(C)C1 ZINC000634732496 430093271 /nfs/dbraw/zinc/09/32/71/430093271.db2.gz HRGVPLKJRSZALL-HOTGVXAUSA-N 2 0 309.498 2.535 20 0 DFADRP C[C@H](CC(=O)Nc1ccc(F)cc1)[NH2+][C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000634734006 430093448 /nfs/dbraw/zinc/09/34/48/430093448.db2.gz UNZNLJFJRLSQHZ-CZUORRHYSA-N 2 0 321.440 2.911 20 0 DFADRP COCCOc1cccc(C[NH2+][C@H]2CC[NH2+]CC(C)(C)C2)c1 ZINC000634732937 430093603 /nfs/dbraw/zinc/09/36/03/430093603.db2.gz SBEQEQRSOBPLMT-INIZCTEOSA-N 2 0 306.450 2.580 20 0 DFADRP C[C@@H](CC(=O)Nc1cccc(F)c1)[NH2+][C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000634733099 430093753 /nfs/dbraw/zinc/09/37/53/430093753.db2.gz XAXOOJCCPJMWIA-XJKSGUPXSA-N 2 0 321.440 2.911 20 0 DFADRP COc1ccc2c(c1)C[C@H]([NH2+][C@H]1CC[NH2+]CC(C)(C)C1)CC2 ZINC000634733620 430094051 /nfs/dbraw/zinc/09/40/51/430094051.db2.gz JRADOPJZRLHDGF-SJORKVTESA-N 2 0 302.462 2.920 20 0 DFADRP CC(C)(C)c1ncc2c(n1)CC[N@@H+](CC[C@@H]1CCC[NH2+]C1)C2 ZINC000530225256 430106249 /nfs/dbraw/zinc/10/62/49/430106249.db2.gz UYQZJJTWWQRHKM-AWEZNQCLSA-N 2 0 302.466 2.522 20 0 DFADRP CC(C)CCC[C@H](C)[NH2+]CC(=O)NCC[NH+]1CCCCCC1 ZINC000560547024 430053590 /nfs/dbraw/zinc/05/35/90/430053590.db2.gz DJMYRLUZBMIPFK-KRWDZBQOSA-N 2 0 311.514 2.783 20 0 DFADRP CCCN1CCC[C@H]1C[NH2+][C@@H]1CCC[C@H](c2ccnn2C)C1 ZINC000560583452 430056891 /nfs/dbraw/zinc/05/68/91/430056891.db2.gz YHWMLOPSDHAVDZ-BBWFWOEESA-N 2 0 304.482 2.910 20 0 DFADRP C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)Nc1ccc2c(c1)C[NH2+]C2 ZINC000561060904 430073459 /nfs/dbraw/zinc/07/34/59/430073459.db2.gz SOTZYVAWLZUGSQ-OKILXGFUSA-N 2 0 316.449 2.674 20 0 DFADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]C[C@H]2CC(C)(C)CO2)[C@@H](C)C1 ZINC000634686658 430077960 /nfs/dbraw/zinc/07/79/60/430077960.db2.gz PJAGNGUEJDRJTR-BBWFWOEESA-N 2 0 312.498 2.528 20 0 DFADRP c1ccc2c(c1)OC[C@@H](CC[NH2+]C1CC[NH+](CC3CC3)CC1)O2 ZINC000561160929 430080497 /nfs/dbraw/zinc/08/04/97/430080497.db2.gz LCJOYAJOHUCZLP-QGZVFWFLSA-N 2 0 316.445 2.681 20 0 DFADRP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+]CC1(CO)CC(c2ccccc2)C1 ZINC000580946273 430164948 /nfs/dbraw/zinc/16/49/48/430164948.db2.gz TYULXPHKKVCOFR-IAFLDTSXSA-N 2 0 302.462 2.792 20 0 DFADRP C[C@H]1CN(C2CC2)C[C@H]1[NH2+]Cc1ccccc1Cn1ccnc1 ZINC000580978476 430168068 /nfs/dbraw/zinc/16/80/68/430168068.db2.gz CUXWQPNSNVIQJY-HNAYVOBHSA-N 2 0 310.445 2.504 20 0 DFADRP Cc1ccc(CC[NH2+][C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)o1 ZINC000581005957 430168800 /nfs/dbraw/zinc/16/88/00/430168800.db2.gz JLEQIBUOBXHOTJ-HKUYNNGSSA-N 2 0 312.413 2.976 20 0 DFADRP C[C@H]([NH2+][C@H]1CCC[C@@H]([NH3+])C1)c1ccc(-n2cccn2)c(F)c1 ZINC000581021995 430172478 /nfs/dbraw/zinc/17/24/78/430172478.db2.gz HQYTTWMWEUWPNH-CFVMTHIKSA-N 2 0 302.397 2.932 20 0 DFADRP COc1cc(F)cc(OC)c1CN(C)C[C@H]1CCC[N@H+](C)C1 ZINC000637930738 430176708 /nfs/dbraw/zinc/17/67/08/430176708.db2.gz TUNVJWIUUSQUPL-ZDUSSCGKSA-N 2 0 310.413 2.617 20 0 DFADRP C[C@H](C[C@H](C)[NH3+])[NH2+]CCNc1ncc(C(F)(F)F)cc1Cl ZINC000580639754 430140743 /nfs/dbraw/zinc/14/07/43/430140743.db2.gz NGONETPVCSUQMC-DTWKUNHWSA-N 2 0 324.778 2.881 20 0 DFADRP Cc1cccc(NC(=O)C[C@H](C)[NH2+]C[C@]2(C)CCC[NH2+]C2)c1 ZINC000580639000 430140881 /nfs/dbraw/zinc/14/08/81/430140881.db2.gz AIOOGUYNPNFODR-MAUKXSAKSA-N 2 0 303.450 2.691 20 0 DFADRP C[C@H]1C[N@H+](CCC[NH2+]Cc2ccc3[nH]ccc3c2)CCCO1 ZINC000580657849 430142132 /nfs/dbraw/zinc/14/21/32/430142132.db2.gz AHBXGJFEVHWITC-HNNXBMFYSA-N 2 0 301.434 2.758 20 0 DFADRP C[NH+]1CCC(N2CCC([NH2+][C@@H]3CCc4ccccc43)CC2)CC1 ZINC000371980222 277027232 /nfs/dbraw/zinc/02/72/32/277027232.db2.gz XAIWMVCGNXZQNO-HXUWFJFHSA-N 2 0 313.489 2.822 20 0 DFADRP C[C@H]1CCCN(Cc2cccc(-c3ccc(N)cc3)n2)[C@@H]1C[NH3+] ZINC000634990900 430184661 /nfs/dbraw/zinc/18/46/61/430184661.db2.gz HNPNRZSNBHHCDQ-IFXJQAMLSA-N 2 0 310.445 2.890 20 0 DFADRP C[C@@H](Cc1ccsc1)[NH+]1CCC(C[NH+]2CCOCC2)CC1 ZINC000541201267 430185419 /nfs/dbraw/zinc/18/54/19/430185419.db2.gz XMDXPMQJFQEVPP-HNNXBMFYSA-N 2 0 308.491 2.723 20 0 DFADRP CC(C)[N@H+](C)CC1CC[NH+]([C@@H](c2nccn2C)C2CC2)CC1 ZINC000637957267 430185490 /nfs/dbraw/zinc/18/54/90/430185490.db2.gz FNHOJUMSCKJYHN-QGZVFWFLSA-N 2 0 304.482 2.923 20 0 DFADRP [NH3+][C@H]1CCCCC[C@H]1[NH2+]CCc1nc(-c2ccncc2)cs1 ZINC000581185267 430186546 /nfs/dbraw/zinc/18/65/46/430186546.db2.gz NQMNBUJZJRTGNI-LSDHHAIUSA-N 2 0 316.474 2.997 20 0 DFADRP COc1cccc(N2CC[C@H]([NH2+][C@H]3CCCCC[C@H]3[NH3+])C2)c1 ZINC000581185110 430186669 /nfs/dbraw/zinc/18/66/69/430186669.db2.gz RGSNXFQNUFHHQL-QGTPRVQTSA-N 2 0 303.450 2.524 20 0 DFADRP Brc1cccc2c1C[C@@H]1[C@H]([NH2+]C[C@@H]3CCC[NH2+]C3)[C@H]21 ZINC000634997166 430187226 /nfs/dbraw/zinc/18/72/26/430187226.db2.gz FDXVAZVGXHAVBF-SUZRMVIJSA-N 2 0 321.262 2.676 20 0 DFADRP C[C@@H]1C[C@H](C[NH2+][C@@H](CO)c2cccc(C(F)(F)F)c2)CC[NH2+]1 ZINC000634997057 430187273 /nfs/dbraw/zinc/18/72/73/430187273.db2.gz BTWYSAUNDHHLDE-JMSVASOKSA-N 2 0 316.367 2.717 20 0 DFADRP COc1ccc(C[C@H](C)[NH2+]CC[C@@H]([NH3+])Cc2ccccc2)cn1 ZINC000635004913 430194708 /nfs/dbraw/zinc/19/47/08/430194708.db2.gz GETHSPKFSMYMPJ-MAUKXSAKSA-N 2 0 313.445 2.571 20 0 DFADRP Cn1cc([C@@H]([NH2+][C@H]2CC[C@H](C[NH3+])CC2)c2cccc(F)c2)cn1 ZINC000635006735 430194809 /nfs/dbraw/zinc/19/48/09/430194809.db2.gz NCLSIPVFBNPNEW-KKXDTOCCSA-N 2 0 316.424 2.756 20 0 DFADRP CC[N@H+](C)C[C@@H](O)C[NH+]1CCC[C@@]1(C)Cc1ccc(F)cc1 ZINC000581200392 430188349 /nfs/dbraw/zinc/18/83/49/430188349.db2.gz GNOZKCFEXFEFPG-MSOLQXFVSA-N 2 0 308.441 2.535 20 0 DFADRP C[C@@H]1CCC[C@H](C)N1C(=O)C[N@H+](C)CCCC[NH+]1CCCCC1 ZINC000640532626 430191342 /nfs/dbraw/zinc/19/13/42/430191342.db2.gz UNXNFMGMLJTVAF-HDICACEKSA-N 2 0 323.525 2.974 20 0 DFADRP C[C@@H](CC1CCCCC1)C[N@@H+]1CC[C@H](n2cc(C[NH3+])nn2)C1 ZINC000635000838 430192005 /nfs/dbraw/zinc/19/20/05/430192005.db2.gz WUPNAIBRWNWWOL-YOEHRIQHSA-N 2 0 305.470 2.590 20 0 DFADRP CN(CCCC[NH+]1CCCCC1)Cc1nnc(C(C)(C)C)[nH]1 ZINC000640534053 430192710 /nfs/dbraw/zinc/19/27/10/430192710.db2.gz JZEVRWHXKPITPM-UHFFFAOYSA-N 2 0 307.486 2.800 20 0 DFADRP C[C@@H]1CN(Cc2ccccc2)C[C@@H]1[NH2+][C@H]1CC[C@H](C[NH3+])CC1 ZINC000635004308 430193154 /nfs/dbraw/zinc/19/31/54/430193154.db2.gz CWZRVORGTPQTSZ-RWQQGDIJSA-N 2 0 301.478 2.614 20 0 DFADRP C[N@H+](CCCC[NH+]1CCCCC1)[C@@H]1C[C@@H]2CCCC[C@@H]2NC1=O ZINC000640534693 430193428 /nfs/dbraw/zinc/19/34/28/430193428.db2.gz RVYDLZOKOFBISQ-OKZBNKHCSA-N 2 0 321.509 2.632 20 0 DFADRP C[C@@H](CC(=O)Nc1cccc(F)c1)[NH2+][C@H]1CC[C@H](C[NH3+])CC1 ZINC000635004217 430193715 /nfs/dbraw/zinc/19/37/15/430193715.db2.gz CRMYSEWBVYQRBN-YDHLFZDLSA-N 2 0 307.413 2.650 20 0 DFADRP CCO[C@@H]1C[C@@H]([NH2+][C@H]2CC[C@H](C[NH3+])CC2)[C@@H]1Oc1ccccc1 ZINC000635005732 430193720 /nfs/dbraw/zinc/19/37/20/430193720.db2.gz OXKDSGPBJVCLIL-YRGVVPAESA-N 2 0 318.461 2.719 20 0 DFADRP CO[C@@H]1[C@H](C)[C@H]([NH2+]CC[C@H]([NH3+])Cc2ccccc2)C12CCC2 ZINC000635007753 430193829 /nfs/dbraw/zinc/19/38/29/430193829.db2.gz PGCBFUGWLPISMX-LAVFITLUSA-N 2 0 302.462 2.740 20 0 DFADRP C[C@H]1C[C@@H]([NH2+][C@H]2CC[C@H](C[NH3+])CC2)CN1Cc1ccccc1 ZINC000635007326 430193839 /nfs/dbraw/zinc/19/38/39/430193839.db2.gz PFHMUQSJUFQADX-PBWTXFEYSA-N 2 0 301.478 2.757 20 0 DFADRP C[C@H](NC[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1C)[C@@H]1CCC[NH2+]C1 ZINC000635005161 430194187 /nfs/dbraw/zinc/19/41/87/430194187.db2.gz RXNQACCTIKFPDT-BWPNAZKDSA-N 2 0 315.505 2.732 20 0 DFADRP c1cncc([C@@H](Nc2cc(N3CC[NH2+]CC3)cc[nH+]2)C2CCC2)c1 ZINC000635011275 430195204 /nfs/dbraw/zinc/19/52/04/430195204.db2.gz YQIBJFPRPNXYJM-IBGZPJMESA-N 2 0 323.444 2.840 20 0 DFADRP COc1cccc2c1CC[C@H]2Nc1cc(N2CC[NH2+]CC2)cc[nH+]1 ZINC000635009498 430195355 /nfs/dbraw/zinc/19/53/55/430195355.db2.gz NSKHRPJSAKDQEZ-QGZVFWFLSA-N 2 0 324.428 2.599 20 0 DFADRP c1cncc([C@H](Nc2cc(N3CC[NH2+]CC3)cc[nH+]2)C2CCC2)c1 ZINC000635011276 430196212 /nfs/dbraw/zinc/19/62/12/430196212.db2.gz YQIBJFPRPNXYJM-LJQANCHMSA-N 2 0 323.444 2.840 20 0 DFADRP C[C@@H](Nc1cc(N2CC[NH2+]CC2)cc[nH+]1)c1ccc(F)c(F)c1 ZINC000635010846 430196326 /nfs/dbraw/zinc/19/63/26/430196326.db2.gz WDMCNYXYSJGPJZ-GFCCVEGCSA-N 2 0 318.371 2.943 20 0 DFADRP Cc1ccc(CN2CC[C@H]([NH2+][C@H](C)[C@H]3CCC[NH2+]C3)C2)cc1 ZINC000635010788 430196474 /nfs/dbraw/zinc/19/64/74/430196474.db2.gz BJLNDSAKKLPQPG-NEWSRXKRSA-N 2 0 301.478 2.547 20 0 DFADRP C[C@@H]([NH2+][C@H]1CC[NH2+]CC(C)(C)C1)c1ccc(C(=O)N(C)C)cc1 ZINC000635013611 430197569 /nfs/dbraw/zinc/19/75/69/430197569.db2.gz ZUFHFEDKTCGJDY-PBHICJAKSA-N 2 0 317.477 2.817 20 0 DFADRP C[C@H]([NH2+][C@@H]1CC[NH2+]CC(C)(C)C1)c1ccc(C(=O)N(C)C)cc1 ZINC000635013614 430199052 /nfs/dbraw/zinc/19/90/52/430199052.db2.gz ZUFHFEDKTCGJDY-WMLDXEAASA-N 2 0 317.477 2.817 20 0 DFADRP CNC(=O)[C@@H]1CCC[C@@H]1[NH2+]C1CC[NH+]([C@@H]2CCC[C@H](C)C2)CC1 ZINC000358269318 277243104 /nfs/dbraw/zinc/24/31/04/277243104.db2.gz UOPREWCUARDSMO-HPBDAGMYSA-N 2 0 321.509 2.534 20 0 DFADRP CC[N@H+](Cc1ccc(C(=O)NCCC[NH2+]C2CC2)cc1)C1CC1 ZINC000581372420 430203111 /nfs/dbraw/zinc/20/31/11/430203111.db2.gz GPZYLZIKSZACAK-UHFFFAOYSA-N 2 0 315.461 2.543 20 0 DFADRP C[C@H](Cc1ccsc1)[N@@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000542167427 430204248 /nfs/dbraw/zinc/20/42/48/430204248.db2.gz ONECYMUCPGKFFO-NUJGCVRESA-N 2 0 321.534 2.637 20 0 DFADRP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+][C@H](C)Cc1ccncc1 ZINC000542245481 430206392 /nfs/dbraw/zinc/20/63/92/430206392.db2.gz IRJVJGLGGVAGDI-CQSZACIVSA-N 2 0 307.401 2.692 20 0 DFADRP Cc1ccc(C[NH+]2CC[C@H](C[N@H+](C)C[C@H]3C[C@@H](O)C3)C2)s1 ZINC000581432294 430206975 /nfs/dbraw/zinc/20/69/75/430206975.db2.gz QPHCKJDTZSNVIB-OAGGEKHMSA-N 2 0 308.491 2.581 20 0 DFADRP [NH3+][C@H]1CCC[C@H]([NH2+]CCc2ccccc2OC(F)(F)F)C1 ZINC000581439706 430210142 /nfs/dbraw/zinc/21/01/42/430210142.db2.gz FLDDFJDGXUSCHN-STQMWFEESA-N 2 0 302.340 2.987 20 0 DFADRP CC1CC[NH+](Cc2ccc(NC(=O)C3=CC[C@H]([NH3+])C3)cc2)CC1 ZINC000638063429 430224554 /nfs/dbraw/zinc/22/45/54/430224554.db2.gz MXYTXPWNLATNFC-KRWDZBQOSA-N 2 0 313.445 2.905 20 0 DFADRP C[NH+](C)Cc1cc(C[NH2+]C[C@@H](O)C2CCCCC2)ccc1F ZINC000565535557 430217786 /nfs/dbraw/zinc/21/77/86/430217786.db2.gz JKOOXRVMSHRLPB-GOSISDBHSA-N 2 0 308.441 2.918 20 0 DFADRP C[N@@H+]1CC[C@@H](CC(=O)Nc2cccc(C[NH+]3CCCCC3)c2)C1 ZINC000635266971 430242523 /nfs/dbraw/zinc/24/25/23/430242523.db2.gz HZRUDVVMEXOIHZ-KRWDZBQOSA-N 2 0 315.461 2.953 20 0 DFADRP Cn1nc2c(c1C[NH+]1CCC(CCC[NH+](C)C)CC1)CCCC2 ZINC000638122952 430244656 /nfs/dbraw/zinc/24/46/56/430244656.db2.gz STKZGINLILREGM-UHFFFAOYSA-N 2 0 318.509 2.853 20 0 DFADRP [NH3+][C@@H]1CCC[C@H]([NH2+][C@@H](c2ccc3c(c2)OCCO3)C2CC2)C1 ZINC000581894978 430249055 /nfs/dbraw/zinc/24/90/55/430249055.db2.gz NYERHODYCPDGSV-RVKKMQEKSA-N 2 0 302.418 2.768 20 0 DFADRP CN(Cc1ccc(-n2cnc3ccccc32)cc1)[C@H]1CC[NH2+]C1 ZINC000566226071 430249669 /nfs/dbraw/zinc/24/96/69/430249669.db2.gz VIYFAHOFVASZJD-KRWDZBQOSA-N 2 0 306.413 2.819 20 0 DFADRP CO[C@]1(C[NH+]2CCC(CC[N@@H+]3CCCC[C@@H]3C)CC2)CCOC1 ZINC000638154788 430254486 /nfs/dbraw/zinc/25/44/86/430254486.db2.gz UWHYVIUUBGKBKP-HKUYNNGSSA-N 2 0 324.509 2.768 20 0 DFADRP C[C@@H]1CCCC[N@@H+]1CCCNC(=O)[C@H]1CCCCCC[C@H]1[NH3+] ZINC000581999746 430257931 /nfs/dbraw/zinc/25/79/31/430257931.db2.gz FVPPPYCRAPPVMX-IXDOHACOSA-N 2 0 309.498 2.665 20 0 DFADRP O=C(CC[N@@H+]1CC[C@@H](Oc2ccncc2)C1)Nc1ccccc1 ZINC000582287422 430285520 /nfs/dbraw/zinc/28/55/20/430285520.db2.gz OYMVBCSBXHHPJC-QGZVFWFLSA-N 2 0 311.385 2.564 20 0 DFADRP CC(C)CC[C@H]([NH3+])C(=O)NCCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000638068310 430225331 /nfs/dbraw/zinc/22/53/31/430225331.db2.gz WTXDLLKQQVDAHA-BBWFWOEESA-N 2 0 311.514 2.624 20 0 DFADRP CC(C)CC[C@@H]([NH3+])C(=O)NC1CC[NH+](CC2CCCC2)CC1 ZINC000638086869 430231037 /nfs/dbraw/zinc/23/10/37/430231037.db2.gz KXDKBOBYSLBZFS-QGZVFWFLSA-N 2 0 309.498 2.521 20 0 DFADRP CC[NH2+][C@H](C)C(=O)NCc1ccccc1C[NH+]1CCCCCC1 ZINC000638088839 430233226 /nfs/dbraw/zinc/23/32/26/430233226.db2.gz KWQVYXOVCOWSFA-MRXNPFEDSA-N 2 0 317.477 2.677 20 0 DFADRP C[C@@H](C(=O)Nc1ccc(Cl)cc1)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000581726935 430235143 /nfs/dbraw/zinc/23/51/43/430235143.db2.gz SDYFXHYCNAMUHF-GUYCJALGSA-N 2 0 321.852 2.743 20 0 DFADRP CC[N@H+](C)C[C@H](O)C[NH+]1CCC[C@@H]1CCCc1ccccc1 ZINC000581733944 430235423 /nfs/dbraw/zinc/23/54/23/430235423.db2.gz QUSDOZXPQKIZMA-OALUTQOASA-N 2 0 304.478 2.786 20 0 DFADRP CC(C)(O)C[NH+]1CCC([NH2+]CCc2ccc(Cl)cc2)CC1 ZINC000638287094 430293416 /nfs/dbraw/zinc/29/34/16/430293416.db2.gz UAOCKJPIOBOTKJ-UHFFFAOYSA-N 2 0 310.869 2.707 20 0 DFADRP CC[NH+](CC)Cc1ccccc1C[NH2+]CCCc1cnn(C)c1 ZINC000638311644 430300560 /nfs/dbraw/zinc/30/05/60/430300560.db2.gz ACLGLEMBHPIFQJ-UHFFFAOYSA-N 2 0 314.477 2.984 20 0 DFADRP CC[NH+](CC)Cc1ccccc1C[NH2+]C[C@@H](OC)[C@@H]1CCOC1 ZINC000638313368 430302678 /nfs/dbraw/zinc/30/26/78/430302678.db2.gz UUEPYIIFTBHKHK-RTBURBONSA-N 2 0 320.477 2.670 20 0 DFADRP CC(C)(O)C[NH+]1CCC([NH2+]C2C3CC4CC(C3)CC2C4)CC1 ZINC000638318823 430303712 /nfs/dbraw/zinc/30/37/12/430303712.db2.gz SMXAALLGJSAELL-UHFFFAOYSA-N 2 0 306.494 2.636 20 0 DFADRP C[NH+](C)CC1(C[NH2+]C[C@H](O)CCc2ccccc2)CCCC1 ZINC000582482558 430304306 /nfs/dbraw/zinc/30/43/06/430304306.db2.gz IUDNXLLOQRLFMN-GOSISDBHSA-N 2 0 304.478 2.692 20 0 DFADRP C[N@H+](CC(=O)N[C@@H](CCC[NH3+])c1ccccc1)CC(C)(C)C ZINC000638330255 430306807 /nfs/dbraw/zinc/30/68/07/430306807.db2.gz UBORAMVKZRGLBY-INIZCTEOSA-N 2 0 305.466 2.561 20 0 DFADRP [NH3+]CCC1CC[NH+]([C@H]2CCN(c3ccc(Cl)cc3)C2=O)CC1 ZINC000568057003 430310836 /nfs/dbraw/zinc/31/08/36/430310836.db2.gz KTJWLHGPNXUNTA-INIZCTEOSA-N 2 0 321.852 2.506 20 0 DFADRP C[NH+](C)CCN1CCC([NH2+]C[C@@]2(C)C[C@@H]2c2ccccc2)CC1 ZINC000638356007 430313895 /nfs/dbraw/zinc/31/38/95/430313895.db2.gz LEQZAWUNTMFGKN-WOJBJXKFSA-N 2 0 315.505 2.796 20 0 DFADRP CC(C)[C@@H](C[NH2+][C@@H](C)C[C@H]1CCCC(=O)N1)[NH+]1CCC(C)CC1 ZINC000638361713 430316555 /nfs/dbraw/zinc/31/65/55/430316555.db2.gz RKVJUSBKIUHIKT-RCCFBDPRSA-N 2 0 323.525 2.780 20 0 DFADRP [NH3+][C@@H]1CCC[C@H]([NH2+]CCOc2cccc(Br)c2)C1 ZINC000568107714 430318664 /nfs/dbraw/zinc/31/86/64/430318664.db2.gz WITLKWXOMNZXTP-OLZOCXBDSA-N 2 0 313.239 2.687 20 0 DFADRP C[C@H]1CCCC[N@@H+]1CCCC[NH2+]Cc1c[nH]c2ncncc12 ZINC000638365521 430319088 /nfs/dbraw/zinc/31/90/88/430319088.db2.gz FHCTVZPCDQJZHV-AWEZNQCLSA-N 2 0 301.438 2.654 20 0 DFADRP CO[C@H](C[NH2+]CCCC[N@@H+]1CCC[C@H](C)C1)C1CCOCC1 ZINC000638366566 430319212 /nfs/dbraw/zinc/31/92/12/430319212.db2.gz OJUYVPIGCWOOIC-FUHWJXTLSA-N 2 0 312.498 2.530 20 0 DFADRP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+]1CCCC[C@@H]1C[C@H](C)O ZINC000568177757 430324249 /nfs/dbraw/zinc/32/42/49/430324249.db2.gz NZNHRAISFGFYEQ-KBXCAEBGSA-N 2 0 314.433 2.701 20 0 DFADRP Cc1ccccc1C[C@@H](C)[NH2+]C1CC[NH+](CC(C)(C)O)CC1 ZINC000638387024 430325023 /nfs/dbraw/zinc/32/50/23/430325023.db2.gz XJPSJTWYEBHXSS-MRXNPFEDSA-N 2 0 304.478 2.751 20 0 DFADRP CC[N@H+](CCCNC(=O)c1oc(C[NH3+])cc1C)C1CCCCC1 ZINC000638383013 430325621 /nfs/dbraw/zinc/32/56/21/430325621.db2.gz BCDGVDKNWSTFHO-UHFFFAOYSA-N 2 0 321.465 2.821 20 0 DFADRP Cc1ncc(C[NH2+][C@H](c2ccc3c(c2)OCCO3)C(C)C)n1C ZINC000582797779 430335409 /nfs/dbraw/zinc/33/54/09/430335409.db2.gz ZJGBDZNUEHIQMG-SFHVURJKSA-N 2 0 315.417 2.987 20 0 DFADRP Cn1cncc1CCC[NH2+][C@@H](CCO)c1ccc(Cl)cc1 ZINC000582794719 430335723 /nfs/dbraw/zinc/33/57/23/430335723.db2.gz PZNCSLMNCIVHDC-INIZCTEOSA-N 2 0 307.825 2.719 20 0 DFADRP C[C@H]1CN(Cc2cccc(C[NH2+]Cc3ccns3)c2)CCO1 ZINC000638421419 430337614 /nfs/dbraw/zinc/33/76/14/430337614.db2.gz VIOPMEMIYZFSPE-AWEZNQCLSA-N 2 0 317.458 2.654 20 0 DFADRP COc1ccc(C[C@H](C)C[NH2+]CCN2CC[C@H](C)C2)cc1F ZINC000546009583 430341198 /nfs/dbraw/zinc/34/11/98/430341198.db2.gz MQJJAANDCJYZOS-GJZGRUSLSA-N 2 0 308.441 2.944 20 0 DFADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]Cc1cccnc1-n1cccn1 ZINC000582898929 430344691 /nfs/dbraw/zinc/34/46/91/430344691.db2.gz CZECXVHMCNJTLZ-WBVHZDCISA-N 2 0 313.449 2.668 20 0 DFADRP Cc1nnsc1C[NH2+]CC1CC[NH+](Cc2cccs2)CC1 ZINC000638457820 430348445 /nfs/dbraw/zinc/34/84/45/430348445.db2.gz YCBJHIOFEUDPEJ-UHFFFAOYSA-N 2 0 322.503 2.910 20 0 DFADRP C[C@@H](CN1CCCCC1)[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000298434524 277573403 /nfs/dbraw/zinc/57/34/03/277573403.db2.gz NDWOHIRJNWIUTD-INIZCTEOSA-N 2 0 302.466 2.514 20 0 DFADRP CCC[C@H](C[NH2+]Cc1ccccc1C[NH+]1CCC(O)CC1)OC ZINC000638721021 430416859 /nfs/dbraw/zinc/41/68/59/430416859.db2.gz VLMPAGKOPJGSFF-LJQANCHMSA-N 2 0 320.477 2.548 20 0 DFADRP COCCC[NH+]1CCC([NH2+]CC(C)(C)Oc2ccccc2)CC1 ZINC000638483610 430356055 /nfs/dbraw/zinc/35/60/55/430356055.db2.gz MQUWSPSEFYFZLB-UHFFFAOYSA-N 2 0 320.477 2.935 20 0 DFADRP CC(C)[C@H]1CCCC[C@H]1[NH2+]Cc1nnc(C2CC[NH2+]CC2)[nH]1 ZINC000583020086 430356357 /nfs/dbraw/zinc/35/63/57/430356357.db2.gz WRTJKXXIXLBJID-HUUCEWRRSA-N 2 0 305.470 2.576 20 0 DFADRP Cc1nccn1CCCN(C)C(=O)[C@H](CC(C)C)n1ccnc1 ZINC000635719554 430357941 /nfs/dbraw/zinc/35/79/41/430357941.db2.gz WFNUERSECJIVCJ-INIZCTEOSA-N 2 0 317.437 2.524 20 0 DFADRP COCC1(C[NH2+]C[C@@H]2CC[N@H+](CCc3ccccc3)C2)CCC1 ZINC000638521832 430366156 /nfs/dbraw/zinc/36/61/56/430366156.db2.gz QGLFIGOTGXAWMU-IBGZPJMESA-N 2 0 316.489 2.957 20 0 DFADRP CN(C)[C@@H](C(=O)N1CCC(CC[NH3+])CC1)c1cccc(Cl)c1 ZINC000568525428 430366979 /nfs/dbraw/zinc/36/69/79/430366979.db2.gz PEUDZVRYFRPRLN-MRXNPFEDSA-N 2 0 323.868 2.530 20 0 DFADRP CC(C)CC[NH+]1CCC(C[NH2+][C@H](C)C[C@H]2CCCC(=O)N2)CC1 ZINC000638722062 430417204 /nfs/dbraw/zinc/41/72/04/430417204.db2.gz OAQLHIOOWJFCLC-SJLPKXTDSA-N 2 0 323.525 2.781 20 0 DFADRP C[N@@H+]1CC[C@@H](CC(=O)Nc2cccc(CC[NH+]3CCCC3)c2)C1 ZINC000635760370 430368407 /nfs/dbraw/zinc/36/84/07/430368407.db2.gz REPKJUSYLJZZAZ-KRWDZBQOSA-N 2 0 315.461 2.605 20 0 DFADRP [NH3+]Cc1cccc2c1N(C(=O)C[C@@H]1[NH2+]Cc3ccccc31)CCC2 ZINC000638542970 430372163 /nfs/dbraw/zinc/37/21/63/430372163.db2.gz PCJAQZPVZGHSNK-SFHVURJKSA-N 2 0 321.424 2.659 20 0 DFADRP C[C@H]([NH3+])c1ccc(C(=O)N2CCCc3cccc(C[NH3+])c32)cc1 ZINC000638544360 430373562 /nfs/dbraw/zinc/37/35/62/430373562.db2.gz UMNZVVAOZORGOV-ZDUSSCGKSA-N 2 0 309.413 2.758 20 0 DFADRP C[C@H](C(=O)N1CCCc2cccc(C[NH3+])c21)[C@H]([NH3+])c1ccccc1 ZINC000638549171 430373875 /nfs/dbraw/zinc/37/38/75/430373875.db2.gz PZGKJKWXPVBGAO-KSSFIOAISA-N 2 0 323.440 2.761 20 0 DFADRP CC(C)CC[C@@H](O)C[NH2+]CC1CCN(c2cc[nH+]cc2)CC1 ZINC000568618387 430375998 /nfs/dbraw/zinc/37/59/98/430375998.db2.gz MMWFCBKYXMZOSK-GOSISDBHSA-N 2 0 305.466 2.685 20 0 DFADRP CC[NH+](CC)CCCC1CCN(C(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC000635790789 430377016 /nfs/dbraw/zinc/37/70/16/430377016.db2.gz ZERPCMXLTZPDLA-GOSISDBHSA-N 2 0 323.525 2.689 20 0 DFADRP [NH3+][C@@H]1CCC[C@H]([NH2+]CC2CC[NH+](Cc3cccs3)CC2)C1 ZINC000568664637 430381677 /nfs/dbraw/zinc/38/16/77/430381677.db2.gz XHJDECORRDDBIP-CVEARBPZSA-N 3 0 307.507 2.820 20 0 DFADRP CCC[N@H+](CC)Cc1ccc(C(=O)N2CCC[C@@H](C[NH3+])C2)cc1 ZINC000583380248 430389552 /nfs/dbraw/zinc/38/95/52/430389552.db2.gz UZIKDVGFJRSOKG-KRWDZBQOSA-N 2 0 317.477 2.729 20 0 DFADRP CC(C)(O)C[NH+]1CCC([NH2+]C[C@H]2CCc3ccccc32)CC1 ZINC000638623162 430392089 /nfs/dbraw/zinc/39/20/89/430392089.db2.gz KAQJNBWOXIHLOO-MRXNPFEDSA-N 2 0 302.462 2.541 20 0 DFADRP [NH3+][C@@H]1CCC[C@H]([NH2+]CCc2nc(-c3ccc(Cl)cc3)no2)C1 ZINC000568768005 430392566 /nfs/dbraw/zinc/39/25/66/430392566.db2.gz CXKWVYNWUGMMBG-KGLIPLIRSA-N 2 0 320.824 2.792 20 0 DFADRP [NH3+]CCC1CC[NH+](Cc2c[nH]nc2-c2ccc(F)cc2)CC1 ZINC000583443799 430395102 /nfs/dbraw/zinc/39/51/02/430395102.db2.gz CYAXHOCJHAOSCE-UHFFFAOYSA-N 2 0 302.397 2.777 20 0 DFADRP C[C@H](c1ccncc1)[NH+]1CCC(Nc2cc(CO)ccn2)CC1 ZINC000641456110 430405027 /nfs/dbraw/zinc/40/50/27/430405027.db2.gz RNHYSBUAASOUGC-CQSZACIVSA-N 2 0 312.417 2.606 20 0 DFADRP CC[C@@H](C)[C@H]1CCCC[N@@H+]1CC(=O)NC1CC[NH+](C(C)C)CC1 ZINC000583557711 430406262 /nfs/dbraw/zinc/40/62/62/430406262.db2.gz XFCYRFAJEHMFRH-SJLPKXTDSA-N 2 0 323.525 2.876 20 0 DFADRP C[C@H](c1nc(C(C)(C)C)no1)N1CC[C@@H](c2nccn2C)C1 ZINC000583879725 430436177 /nfs/dbraw/zinc/43/61/77/430436177.db2.gz AEVZJBBXEMPSAS-VXGBXAGGSA-N 2 0 303.410 2.651 20 0 DFADRP CN1CC[NH+](CCCC[NH2+]Cc2cccc3ccoc32)CC1 ZINC000569307034 430440891 /nfs/dbraw/zinc/44/08/91/430440891.db2.gz WGKSGYGDPDXOEH-UHFFFAOYSA-N 2 0 301.434 2.550 20 0 DFADRP [NH3+][C@@H](CCC(=O)N1CCCCC[C@@H]([NH3+])C1)CC1CCCCC1 ZINC000638815435 430442851 /nfs/dbraw/zinc/44/28/51/430442851.db2.gz HDQUQOCXWNIQTJ-DLBZAZTESA-N 2 0 309.498 2.794 20 0 DFADRP [NH3+][C@@H]1CCCCCN(C(=O)c2cccc(C[NH+]3CCCC3)c2)C1 ZINC000638819289 430443646 /nfs/dbraw/zinc/44/36/46/430443646.db2.gz IRZVBTMEKVDFQZ-GOSISDBHSA-N 2 0 315.461 2.626 20 0 DFADRP C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)CC[NH+](C)C1CCCCC1 ZINC000548060481 430444714 /nfs/dbraw/zinc/44/47/14/430444714.db2.gz AWSSODBNXBGMPH-IRXDYDNUSA-N 2 0 323.525 2.878 20 0 DFADRP [NH3+][C@H]1CCCCCN(C(=O)c2ccc(Nc3cc[nH+]cc3)cc2)C1 ZINC000638820458 430445890 /nfs/dbraw/zinc/44/58/90/430445890.db2.gz WMRFGXLTOPEQDU-INIZCTEOSA-N 2 0 324.428 2.591 20 0 DFADRP CO[C@H](C[NH2+]Cc1ccccc1C[N@H+](C)C(C)C)[C@@H]1CCOC1 ZINC000638853405 430455859 /nfs/dbraw/zinc/45/58/59/430455859.db2.gz FJAHMPPFQWEFON-RTBURBONSA-N 2 0 320.477 2.668 20 0 DFADRP CC[NH+](CC)CCC[C@H](C)[NH2+]Cc1cccn(C(F)F)c1=O ZINC000638863119 430459102 /nfs/dbraw/zinc/45/91/02/430459102.db2.gz KBDDJTXOKNTROY-ZDUSSCGKSA-N 2 0 315.408 2.844 20 0 DFADRP CCC1([NH+]2CCCC2)CCN(C(=O)C2([NH3+])CCCCC2)CC1 ZINC000638862664 430459191 /nfs/dbraw/zinc/45/91/91/430459191.db2.gz YWCDRVRHKCLUNO-UHFFFAOYSA-N 2 0 307.482 2.515 20 0 DFADRP CN(Cc1ccccc1)CC(C)(C)C[NH2+][C@H](CO)CC(F)F ZINC000641760534 430463211 /nfs/dbraw/zinc/46/32/11/430463211.db2.gz GBGXLDOOZGBPLY-HNNXBMFYSA-N 2 0 314.420 2.750 20 0 DFADRP C[C@@H]1Cc2ccccc2N1C1CC[NH+](CC[C@H]2CC[NH2+]C2)CC1 ZINC000641807064 430477675 /nfs/dbraw/zinc/47/76/75/430477675.db2.gz GRGWATFCQYEYSV-IAGOWNOFSA-N 2 0 313.489 2.902 20 0 DFADRP CC1(C)[C@@H]([NH3+])C[C@@H]1[NH2+]CCC(=O)Nc1cccc2ccccc21 ZINC000641808935 430480415 /nfs/dbraw/zinc/48/04/15/430480415.db2.gz VCLPGSPQPBLOFO-IRXDYDNUSA-N 2 0 311.429 2.884 20 0 DFADRP C[C@@H](CCCC(F)(F)F)[NH2+]CCCC[NH+]1CCN(C)CC1 ZINC000547828541 430426101 /nfs/dbraw/zinc/42/61/01/430426101.db2.gz ZUDLWGDVPCMURG-AWEZNQCLSA-N 2 0 309.420 2.725 20 0 DFADRP C[C@@H](O)CC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H]2CCC[C@H]21 ZINC000583794412 430429610 /nfs/dbraw/zinc/42/96/10/430429610.db2.gz OWTZUMMTUIKCBY-QXCFHYIPSA-N 2 0 302.462 2.790 20 0 DFADRP C[C@H](C[C@@H]1CCCC(=O)N1)[NH2+][C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000638969365 430483757 /nfs/dbraw/zinc/48/37/57/430483757.db2.gz GKTWMSFVAORVBW-VQHPVUNQSA-N 2 0 321.509 2.676 20 0 DFADRP C[C@@H]1C[C@@H]([NH2+]Cc2ccccc2C[N@@H+]2CCC[C@H]2CO)CS1 ZINC000638971288 430484681 /nfs/dbraw/zinc/48/46/81/430484681.db2.gz QWDWLTQQVNRVFS-OLMNPRSZSA-N 2 0 320.502 2.627 20 0 DFADRP Fc1ccccc1-c1n[nH]cc1C[NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000569791383 430484698 /nfs/dbraw/zinc/48/46/98/430484698.db2.gz MGRHZFKNXXWGPJ-DOTOQJQBSA-N 2 0 314.408 2.694 20 0 DFADRP CCCC(CCC)C(=O)Nc1cc(N2CC[NH2+]CC2)cc[nH+]1 ZINC000638986283 430488289 /nfs/dbraw/zinc/48/82/89/430488289.db2.gz ZORCOFOSYFPCAH-UHFFFAOYSA-N 2 0 304.438 2.646 20 0 DFADRP C[N@H+](CCC(=O)N1CC[C@@H]2[C@@H](CCC[NH+]2C)C1)C1CCCCC1 ZINC000548719913 430495303 /nfs/dbraw/zinc/49/53/03/430495303.db2.gz TWCFTKWVQFXACP-FUHWJXTLSA-N 2 0 321.509 2.584 20 0 DFADRP O=C(NC[C@H]1CC[N@@H+]1C1CCCCC1)[C@@H]1CC[NH+]1C1CCCC1 ZINC000636253715 430496835 /nfs/dbraw/zinc/49/68/35/430496835.db2.gz ONBSACBVHRDOCY-MSOLQXFVSA-N 2 0 319.493 2.527 20 0 DFADRP Cc1ccc([C@H](CN[C@@H](C)[C@@H]2CCC[NH2+]C2)[NH+]2CCCC2)o1 ZINC000569919117 430496910 /nfs/dbraw/zinc/49/69/10/430496910.db2.gz JPMXVZCQDKGYSY-BBWFWOEESA-N 2 0 305.466 2.703 20 0 DFADRP C[C@@H]([NH3+])c1ccc(C(=O)N2CC[C@@H](C[NH3+])c3ccccc32)cc1 ZINC000639066668 430509980 /nfs/dbraw/zinc/50/99/80/430509980.db2.gz XAQWWLACTRHCEJ-CJNGLKHVSA-N 2 0 309.413 2.799 20 0 DFADRP C[C@@H]([NH3+])c1ccc(C(=O)N2CC[C@H](C[NH3+])c3ccccc32)cc1 ZINC000639066669 430510012 /nfs/dbraw/zinc/51/00/12/430510012.db2.gz XAQWWLACTRHCEJ-CZUORRHYSA-N 2 0 309.413 2.799 20 0 DFADRP O[C@H](C[NH2+]CC1CC[NH+](C2CC2)CC1)Cc1cccc(Cl)c1 ZINC000570081980 430511088 /nfs/dbraw/zinc/51/10/88/430511088.db2.gz BMABXOXHJDAXFX-SFHVURJKSA-N 2 0 322.880 2.707 20 0 DFADRP CCCc1ccc(C[NH2+]C2CCN(CC[NH+](C)C)CC2)cc1 ZINC000642341425 430511884 /nfs/dbraw/zinc/51/18/84/430511884.db2.gz VNHJSVKHIYUISF-UHFFFAOYSA-N 2 0 303.494 2.755 20 0 DFADRP CC[NH2+]CCC[NH2+][C@@H]1CC[C@H](C(=O)OCC)c2ccccc21 ZINC000570200198 430521508 /nfs/dbraw/zinc/52/15/08/430521508.db2.gz REBJUVRNDCKYRY-DLBZAZTESA-N 2 0 304.434 2.757 20 0 DFADRP Cc1cccc(NC(=O)C[C@H](C)[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000642630959 430522476 /nfs/dbraw/zinc/52/24/76/430522476.db2.gz SHQHVKPJJNYCOC-JQHSSLGASA-N 2 0 315.461 2.929 20 0 DFADRP C[NH+](C)[C@@H]1CCC[N@H+](C[C@H]2CCN(c3ccccc3)C2)CC1 ZINC000639106186 430526871 /nfs/dbraw/zinc/52/68/71/430526871.db2.gz WXDHGZMETXSQEI-QZTJIDSGSA-N 2 0 301.478 2.929 20 0 DFADRP C[N@@H+]1CCCC[C@@H]1CN1CC[NH+]([C@@H]2C=CCCCCC2)CC1 ZINC000549822693 430532011 /nfs/dbraw/zinc/53/20/11/430532011.db2.gz WNGNOAIPVXJVEY-RTBURBONSA-N 2 0 305.510 2.977 20 0 DFADRP COc1cc(C[C@@H](C)[NH2+]C2CC([NH+]3CCCCC3)C2)ccn1 ZINC000639124818 430534014 /nfs/dbraw/zinc/53/40/14/430534014.db2.gz MOYLTBHWULAGFD-ODIFPOPNSA-N 2 0 303.450 2.628 20 0 DFADRP Cc1ccc(CC[NH+]2CCC(N3CCOC[C@@H]3C)CC2)cc1 ZINC000570507721 430549488 /nfs/dbraw/zinc/54/94/88/430549488.db2.gz QBPJJCXVPLKCSX-KRWDZBQOSA-N 2 0 302.462 2.723 20 0 DFADRP Cc1nc2ccccc2nc1C[NH+]1CCC[C@@H]2C[N@H+](C)CC[C@@H]21 ZINC000639180762 430559618 /nfs/dbraw/zinc/55/96/18/430559618.db2.gz YCMOCNWSYNBDDQ-BEFAXECRSA-N 2 0 310.445 2.854 20 0 DFADRP C[C@H](CN(C)Cc1ccccc1)[NH2+][C@@H](C)C[C@@H]1CCCC(=O)N1 ZINC000639186101 430561902 /nfs/dbraw/zinc/56/19/02/430561902.db2.gz IQPGLIHABZZNFP-JZXOWHBKSA-N 2 0 317.477 2.544 20 0 DFADRP C[C@@H]([NH2+]Cc1ccncc1OCCC[NH+](C)C)[C@@H]1CC1(F)F ZINC000639185146 430562794 /nfs/dbraw/zinc/56/27/94/430562794.db2.gz HGQIBVFLONKPQS-OCCSQVGLSA-N 2 0 313.392 2.545 20 0 DFADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+][C@H]1CCC[C@@H](N2CCCC2=O)C1 ZINC000570699099 430570051 /nfs/dbraw/zinc/57/00/51/430570051.db2.gz PLFWFCCCSPLPSM-VSZNYVQBSA-N 2 0 321.509 2.820 20 0 DFADRP CCO[C@@H]1C[C@H]([NH2+]CCCCC[NH+]2CCCC2)[C@]12CCCO2 ZINC000639210457 430574971 /nfs/dbraw/zinc/57/49/71/430574971.db2.gz KYWDHZBXNBXVJS-RCCFBDPRSA-N 2 0 310.482 2.569 20 0 DFADRP Cc1cc(NC(=O)NCCCC[N@H+]2CCC[C@H](C)C2)c(C)cn1 ZINC000551991788 430575420 /nfs/dbraw/zinc/57/54/20/430575420.db2.gz CBOPURNRKRSNNZ-AWEZNQCLSA-N 2 0 318.465 2.754 20 0 DFADRP C[C@@H]([NH2+]C[C@H]1CCN(c2ccccc2F)C1)C1CC[NH+](C)CC1 ZINC000643320928 430580814 /nfs/dbraw/zinc/58/08/14/430580814.db2.gz XDZNASHLMBJKQL-HZPDHXFCSA-N 2 0 319.468 2.972 20 0 DFADRP CC(C)[C@H]1CC[C@H]1[NH2+]CC1(N2CCCCC2)CC[NH+](C)CC1 ZINC000552043304 430581359 /nfs/dbraw/zinc/58/13/59/430581359.db2.gz GYSQBYJBUHFWPB-QZTJIDSGSA-N 2 0 307.526 2.961 20 0 DFADRP COc1ccc2[nH]cc(CC[NH2+][C@@H](C)[C@@H]3CCC[NH2+]C3)c2c1 ZINC000643453870 430601933 /nfs/dbraw/zinc/60/19/33/430601933.db2.gz DQUJNDHBYSFDMU-UONOGXRCSA-N 2 0 301.434 2.697 20 0 DFADRP CC(C)[N@H+](Cc1ccc(OCC[NH+](C)C)cc1)[C@@H]1CCOC1 ZINC000643346441 430589033 /nfs/dbraw/zinc/58/90/33/430589033.db2.gz NRGPLBKJWKBTLV-QGZVFWFLSA-N 2 0 306.450 2.626 20 0 DFADRP C[C@@H]1CCC[C@](CN[C@@H]2CC[N@H+](C)[C@H]3CCC[C@H]32)([NH+](C)C)C1 ZINC000552223292 430591119 /nfs/dbraw/zinc/59/11/19/430591119.db2.gz MMNAGPYQIJMRFD-LFDJNIOPSA-N 2 0 307.526 2.959 20 0 DFADRP Cc1cc(C)n(-c2ccc(CC[NH2+][C@H]3CCC[C@H]([NH3+])C3)cc2)n1 ZINC000570984962 430594110 /nfs/dbraw/zinc/59/41/10/430594110.db2.gz ADDMSNYRQJAIID-ROUUACIJSA-N 2 0 312.461 2.891 20 0 DFADRP C[N@@H+]1CCC[C@@H](N2CC[NH+](C[C@@H]3C[C@H]3c3ccccc3)CC2)C1 ZINC000643374888 430595307 /nfs/dbraw/zinc/59/53/07/430595307.db2.gz YPYTUFNPRRRALY-ZCNNSNEGSA-N 2 0 313.489 2.502 20 0 DFADRP C[C@@H]([NH2+]CC1CC[NH+](C2CCOCC2)CC1)[C@H]1CC1(F)F ZINC000639302289 430602529 /nfs/dbraw/zinc/60/25/29/430602529.db2.gz CYSDWPJOMFKWFT-IUODEOHRSA-N 2 0 302.409 2.511 20 0 DFADRP C(CN1CCCC[C@H]1c1noc(C2CC2)n1)[C@H]1CCC[NH2+]C1 ZINC000643057523 430545869 /nfs/dbraw/zinc/54/58/69/430545869.db2.gz NGMZLWDOHKCLOR-HIFRSBDPSA-N 2 0 304.438 2.864 20 0 DFADRP C[C@@H](C(=O)Nc1ccccc1C[NH+](C)C)[NH+]1[C@H](C)CC[C@H]1C ZINC000554727473 430651137 /nfs/dbraw/zinc/65/11/37/430651137.db2.gz DAZFLODWGIGSRG-KFWWJZLASA-N 2 0 303.450 2.948 20 0 DFADRP Cc1cnc(CC[NH+]2CC[C@@H](C[N@H+](C)CC3CC3)C2)c(C)c1 ZINC000571758782 430651247 /nfs/dbraw/zinc/65/12/47/430651247.db2.gz WESYKYWIKUDVAC-SFHVURJKSA-N 2 0 301.478 2.905 20 0 DFADRP c1cc(C[N@H+]2CC[C@@H](C[NH+]3CCCC3)C2)c2c(c1)COCC2 ZINC000639494878 430654533 /nfs/dbraw/zinc/65/45/33/430654533.db2.gz KYMSOLPYNFVLTJ-INIZCTEOSA-N 2 0 300.446 2.677 20 0 DFADRP COc1cccc([C@H](C[NH2+][C@H]2CCC[C@@H]([NH3+])C2)N2CCCC2)c1 ZINC000571821142 430654779 /nfs/dbraw/zinc/65/47/79/430654779.db2.gz NIMAUVMKMUTQFX-AOIWGVFYSA-N 2 0 317.477 2.692 20 0 DFADRP [NH3+]CC1CCC([NH2+]C[C@H]2CCN(c3ccc(F)c(F)c3)C2)CC1 ZINC000643453241 430602988 /nfs/dbraw/zinc/60/29/88/430602988.db2.gz SDVCLJISLHEQAT-SHARSMKWSA-N 2 0 323.431 2.898 20 0 DFADRP C([NH2+]C[C@@H]1CC[C@H]2C[C@H]2C1)C1CC[NH+](C2CCOCC2)CC1 ZINC000639302185 430603081 /nfs/dbraw/zinc/60/30/81/430603081.db2.gz DNJAACUXLIETPP-FGTMMUONSA-N 2 0 306.494 2.903 20 0 DFADRP COc1cccc2c1OC[C@H]([NH2+][C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1)C2 ZINC000643451970 430603079 /nfs/dbraw/zinc/60/30/79/430603079.db2.gz GEEKFZRNZBQJCJ-YYIAUSFCSA-N 2 0 316.445 2.509 20 0 DFADRP CO[C@H](C[NH2+][C@@H]1CCCN2CCCC[C@@H]12)Cc1ccccc1 ZINC000639303871 430603429 /nfs/dbraw/zinc/60/34/29/430603429.db2.gz WDGGQEISDFEFMV-OTWHNJEPSA-N 2 0 302.462 2.851 20 0 DFADRP CCOCCOc1cc(C)ccc1C[NH2+][C@H](C)[C@H]1CCC[NH2+]C1 ZINC000643461219 430603497 /nfs/dbraw/zinc/60/34/97/430603497.db2.gz WVCTZBOEUTUXLX-SJORKVTESA-N 2 0 320.477 2.888 20 0 DFADRP C[C@H]([NH2+][C@@H]1CCN(c2ccc(F)cc2F)C1)[C@@H]1CCC[NH2+]C1 ZINC000643462965 430603757 /nfs/dbraw/zinc/60/37/57/430603757.db2.gz UQHFBPUKQPDTNG-GZBFAFLISA-N 2 0 309.404 2.521 20 0 DFADRP C[C@H]1C[C@H]([NH2+]CC2CC[NH+](Cc3ccncc3)CC2)CS1 ZINC000639312211 430605671 /nfs/dbraw/zinc/60/56/71/430605671.db2.gz SWKCKDCINCFSAX-YOEHRIQHSA-N 2 0 305.491 2.777 20 0 DFADRP Cc1cc(C[NH2+]CC2CC[NH+](Cc3ccncc3)CC2)sn1 ZINC000639310819 430605721 /nfs/dbraw/zinc/60/57/21/430605721.db2.gz HRMQCHQRTSVKFG-UHFFFAOYSA-N 2 0 316.474 2.848 20 0 DFADRP C[C@H]1c2ccccc2C[C@H]1[NH2+]C1CC[NH+](CC(C)(C)O)CC1 ZINC000639310272 430605860 /nfs/dbraw/zinc/60/58/60/430605860.db2.gz DVSCAGCNIWGGIH-KBXCAEBGSA-N 2 0 302.462 2.540 20 0 DFADRP C[C@@H]([NH2+]CCCc1cccc(Br)c1)[C@H]1CC[NH2+]C1 ZINC000643469446 430605858 /nfs/dbraw/zinc/60/58/58/430605858.db2.gz WEVUGOSFPXMUKA-OCCSQVGLSA-N 2 0 311.267 2.969 20 0 DFADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+][C@H](CO)[C@H](C)c1ccccc1 ZINC000643474434 430607254 /nfs/dbraw/zinc/60/72/54/430607254.db2.gz LVBDLPMLRXLVRO-FRIZHTMISA-N 2 0 313.445 2.664 20 0 DFADRP c1ccc2c(c1)O[C@]1(CC[NH2+]C1)C[C@H]2[NH2+]CCOCC1CCC1 ZINC000643481268 430607785 /nfs/dbraw/zinc/60/77/85/430607785.db2.gz BPCZQYODVTYYLY-IEBWSBKVSA-N 2 0 316.445 2.649 20 0 DFADRP [NH3+]C1CCC([NH2+][C@H](c2ccc(F)cc2)c2cnccn2)CC1 ZINC000643503583 430609879 /nfs/dbraw/zinc/60/98/79/430609879.db2.gz GWBPQKZDOJTHPA-VMBOVVBDSA-N 2 0 300.381 2.565 20 0 DFADRP [NH3+]C[C@H]1CC[C@H](C[NH2+][C@H](c2nnc[nH]2)C2CCCCC2)CC1 ZINC000643532487 430613227 /nfs/dbraw/zinc/61/32/27/430613227.db2.gz KUVNMDFCPKOAQY-DZKIICNBSA-N 2 0 305.470 2.781 20 0 DFADRP C[C@H]([NH2+][C@@H]1CC12CC[NH2+]CC2)c1ccc2c(c1)OCCCO2 ZINC000643534579 430613235 /nfs/dbraw/zinc/61/32/35/430613235.db2.gz YETOLILBMDTYBI-SUMWQHHRSA-N 2 0 302.418 2.641 20 0 DFADRP COc1cccc(C[C@@H]([NH2+][C@H]2CC23CC[NH2+]CC3)C2CC2)c1 ZINC000643535627 430614524 /nfs/dbraw/zinc/61/45/24/430614524.db2.gz OAKDCIWQEWHSFN-MSOLQXFVSA-N 2 0 300.446 2.748 20 0 DFADRP Cn1cc([C@H]([NH2+]C[C@@H]2CCC[C@H]([NH3+])C2)c2cccc(F)c2)cn1 ZINC000643541143 430614574 /nfs/dbraw/zinc/61/45/74/430614574.db2.gz PKJKJPLTSDEYFV-JEBQAFNWSA-N 2 0 316.424 2.756 20 0 DFADRP C[C@H]([NH2+][C@H]1CC12CC[NH2+]CC2)c1cc(-c2ccccc2)nn1C ZINC000643536936 430614621 /nfs/dbraw/zinc/61/46/21/430614621.db2.gz YWKIQHINFXZAGZ-KSSFIOAISA-N 2 0 310.445 2.880 20 0 DFADRP COC[C@@H]([NH2+][C@@H]1CC12CC[NH2+]CC2)c1cccc(Cl)c1F ZINC000643535276 430614696 /nfs/dbraw/zinc/61/46/96/430614696.db2.gz ALYYNNRKANZSRS-ZIAGYGMSSA-N 2 0 312.816 2.898 20 0 DFADRP Cc1nccn1-c1ccc([C@H](C)[NH2+][C@H]2CC23CC[NH2+]CC3)cc1 ZINC000643537073 430614747 /nfs/dbraw/zinc/61/47/47/430614747.db2.gz YSYHRMFMWFUNMF-KSSFIOAISA-N 2 0 310.445 2.973 20 0 DFADRP C[C@@H]([NH2+][C@H]1CC[NH2+]C2(CCC2)C1)c1ccc(C(=O)N(C)C)cc1 ZINC000643547544 430615864 /nfs/dbraw/zinc/61/58/64/430615864.db2.gz GSUMRHZQDSJCBT-PBHICJAKSA-N 2 0 315.461 2.714 20 0 DFADRP C[C@H]([NH2+][C@H]1CC[NH2+]C2(CCC2)C1)c1cccc(-n2ccnn2)c1 ZINC000643547566 430616017 /nfs/dbraw/zinc/61/60/17/430616017.db2.gz HCPWZZUVLFOFNC-HOCLYGCPSA-N 2 0 311.433 2.593 20 0 DFADRP C[C@@H]([NH2+][C@@H]1CC[NH2+]C2(CCC2)C1)c1ccc2[nH]c(=O)oc2c1 ZINC000643547393 430616416 /nfs/dbraw/zinc/61/64/16/430616416.db2.gz DSYJTHYMKMLMNC-DGCLKSJQSA-N 2 0 301.390 2.859 20 0 DFADRP CCO[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCN2C2CCCCC2)[C@]12CCCO2 ZINC000639346718 430617492 /nfs/dbraw/zinc/61/74/92/430617492.db2.gz VAIQKVDLJLDLHX-WJFTUGDTSA-N 2 0 322.493 2.710 20 0 DFADRP C[N@@H+]1CCCC[C@@H](C[NH2+]C[C@@H]2CCN(c3ccccc3)C2)C1 ZINC000639345910 430617540 /nfs/dbraw/zinc/61/75/40/430617540.db2.gz CLJPEEFZJXYGJD-ROUUACIJSA-N 2 0 301.478 2.834 20 0 DFADRP CCCOc1cccc(C[NH2+][C@@H]2CCC[C@@H]2N2CC[C@H](O)C2)c1 ZINC000639370381 430622448 /nfs/dbraw/zinc/62/24/48/430622448.db2.gz NDZXBMOXKCNVNW-UHOSZYNNSA-N 2 0 318.461 2.553 20 0 DFADRP C[C@@H](CCc1cccc(F)c1)[NH2+][C@@H]1CCC[C@@H]1N1CC[C@@H](O)C1 ZINC000639371500 430622821 /nfs/dbraw/zinc/62/28/21/430622821.db2.gz SPFREKAQYUMMOE-PIKADFDJSA-N 2 0 320.452 2.724 20 0 DFADRP [NH3+][C@@H]1CCO[C@H](C2CC[NH+](Cc3scnc3C3CC3)CC2)C1 ZINC000571385702 430624165 /nfs/dbraw/zinc/62/41/65/430624165.db2.gz WXBGPXPADCURQY-CABCVRRESA-N 2 0 321.490 2.739 20 0 DFADRP O[C@H]1CCN([C@@H]2CCC[C@@H]2[NH2+]C2CC(c3ccccc3)C2)C1 ZINC000639373819 430625126 /nfs/dbraw/zinc/62/51/26/430625126.db2.gz VXVUSYUYYVLVDD-KFPRQRBHSA-N 2 0 300.446 2.510 20 0 DFADRP CC(C)[C@H](CO)C[NH2+][C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000554085285 430627639 /nfs/dbraw/zinc/62/76/39/430627639.db2.gz FUTXDZJHISTAFF-UHOSZYNNSA-N 2 0 304.478 2.751 20 0 DFADRP C[C@@H]([NH2+]C(C)(C)CNC(=O)C[N@@H+]1CC[C@@H](C)C1)c1ccccc1 ZINC000571461813 430629258 /nfs/dbraw/zinc/62/92/58/430629258.db2.gz JBZMWLCWRFFLLQ-HZPDHXFCSA-N 2 0 317.477 2.574 20 0 DFADRP CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)CCCC[NH+](C)C)C1 ZINC000554427907 430636258 /nfs/dbraw/zinc/63/62/58/430636258.db2.gz XYEZWWOWAXTCHO-INIZCTEOSA-N 2 0 311.514 2.735 20 0 DFADRP CCC[C@@H](O)C[NH2+][C@H]1CCN(Cc2ccccc2)C2(CC2)C1 ZINC000571641154 430642895 /nfs/dbraw/zinc/64/28/95/430642895.db2.gz DJMYSNZWSFERHB-ZWKOTPCHSA-N 2 0 302.462 2.934 20 0 DFADRP C[C@H]([NH2+]C1CC[NH2+]CC1)c1ccc(NC(=O)c2ccncc2)cc1 ZINC000571651870 430644470 /nfs/dbraw/zinc/64/44/70/430644470.db2.gz DJXPZXXGMDJWQS-AWEZNQCLSA-N 2 0 324.428 2.737 20 0 DFADRP Cc1c(Cl)cccc1NC(=O)CC[NH2+][C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000571669411 430644752 /nfs/dbraw/zinc/64/47/52/430644752.db2.gz NJTALCOGAWJGAD-KBPBESRZSA-N 2 0 323.868 2.955 20 0 DFADRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H]2C[C@@H](C)O[C@@H](C)C2)[C@@H](C)C1 ZINC000555427987 430667815 /nfs/dbraw/zinc/66/78/15/430667815.db2.gz ZRIXDDYWZLHRQG-AVEIZBFRSA-N 2 0 312.498 2.669 20 0 DFADRP CC[N@H+](CCC1CC[NH+](CCc2cnccn2)CC1)CC1CC1 ZINC000639558951 430671002 /nfs/dbraw/zinc/67/10/02/430671002.db2.gz LOLDQLUZWWLCJR-UHFFFAOYSA-N 2 0 316.493 2.853 20 0 DFADRP COc1ccc(CC[C@@H](C)[NH2+]C[C@@H]2CCC[N@H+](C)C2)cc1O ZINC000572094828 430671582 /nfs/dbraw/zinc/67/15/82/430671582.db2.gz MKUSUHLCGXZSIJ-ZBFHGGJFSA-N 2 0 306.450 2.653 20 0 DFADRP C[C@@H]1OCC[C@@H]1C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000639589043 430677895 /nfs/dbraw/zinc/67/78/95/430677895.db2.gz IRSLIDMAAVUSTD-JFRXWTBNSA-N 2 0 302.462 2.912 20 0 DFADRP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1cc[nH]c(=O)c1 ZINC000639589033 430678003 /nfs/dbraw/zinc/67/80/03/430678003.db2.gz IKYWQAYSAAJNFV-MAUKXSAKSA-N 2 0 311.429 2.787 20 0 DFADRP C[C@@H]1CCCC[N@@H+]1CCC1CCN(C(=O)C[C@H]2CCC[NH2+]2)CC1 ZINC000572247256 430678207 /nfs/dbraw/zinc/67/82/07/430678207.db2.gz ZZSFQCGRCNWLBB-SJLPKXTDSA-N 2 0 321.509 2.632 20 0 DFADRP [NH3+][C@H]1CCC[C@@H]([NH2+]CCc2cnc(SC3CCCC3)nc2)C1 ZINC000572257321 430678522 /nfs/dbraw/zinc/67/85/22/430678522.db2.gz MGQCKMCVLQGSFB-LSDHHAIUSA-N 2 0 320.506 2.913 20 0 DFADRP C[C@@H]1C[C@H]([NH2+]CCN2CCC([NH+](C)C)CC2)c2ccccc21 ZINC000289343375 278025477 /nfs/dbraw/zinc/02/54/77/278025477.db2.gz XDJVZDQOZOGMST-BEFAXECRSA-N 2 0 301.478 2.851 20 0 DFADRP C[C@H]1C[N@H+](C)CC[C@@H]1N(C)Cc1cnc(-c2ccncc2)s1 ZINC000572409199 430686273 /nfs/dbraw/zinc/68/62/73/430686273.db2.gz CDTXEMALVIVJGE-BBRMVZONSA-N 2 0 316.474 2.977 20 0 DFADRP C[NH+]1CCN(C[C@@H]([NH2+][C@H]2CCC2(C)C)c2ccccc2)CC1 ZINC000556584641 430686775 /nfs/dbraw/zinc/68/67/75/430686775.db2.gz XZBGOGIBKGGGNL-MSOLQXFVSA-N 2 0 301.478 2.753 20 0 DFADRP Cc1ccccc1NC(=O)C[C@@H](C)[NH2+]CCN1CC=C(C)CC1 ZINC000572690540 430694500 /nfs/dbraw/zinc/69/45/00/430694500.db2.gz PIDINFDAEXSPJE-QGZVFWFLSA-N 2 0 315.461 2.954 20 0 DFADRP C[C@@H](C[NH2+][C@H]1CC(C)(C)c2ccccc21)N1CC[NH+](C)CC1 ZINC000178773900 278286239 /nfs/dbraw/zinc/28/62/39/278286239.db2.gz VSKNORCMJROXSE-YJBOKZPZSA-N 2 0 301.478 2.635 20 0 DFADRP C[C@@H]([NH2+]CCCC[N@@H+]1CCC[C@H]1CO)c1ccc(F)cc1F ZINC000268929651 278343713 /nfs/dbraw/zinc/34/37/13/278343713.db2.gz QIZKNDCRPYBYOJ-HIFRSBDPSA-N 2 0 312.404 2.852 20 0 DFADRP [NH3+][C@H](CCC(=O)N[C@H]1CC[NH2+]C12CCCC2)CC1CCCCC1 ZINC000648211685 430714476 /nfs/dbraw/zinc/71/44/76/430714476.db2.gz YAUGKTRFKZIFBX-SJORKVTESA-N 2 0 321.509 2.855 20 0 DFADRP Fc1ccc(/C=C\C[NH2+]C2CCN([C@@H]3CCOC3)CC2)cc1F ZINC000657753188 430726044 /nfs/dbraw/zinc/72/60/44/430726044.db2.gz VEIIRENVLBZZCC-STOZHHMFSA-N 2 0 322.399 2.821 20 0 DFADRP Fc1ccc(/C=C\C[NH2+]C2CCN([C@@H]3CCOC3)CC2)cc1 ZINC000657752354 430726293 /nfs/dbraw/zinc/72/62/93/430726293.db2.gz YUXWQOIFCJUYHR-QFRLHKFZSA-N 2 0 304.409 2.682 20 0 DFADRP Clc1cnc2oc(C[NH2+]CCCC[NH+]3CCOCC3)cc2c1 ZINC000648424435 430781821 /nfs/dbraw/zinc/78/18/21/430781821.db2.gz SJZQQZCJBLIPCK-UHFFFAOYSA-N 2 0 323.824 2.683 20 0 DFADRP C[NH+](C)CCOc1ccc(C[NH2+]C[C@@H]2CCOC2(C)C)cc1 ZINC000657784885 430734339 /nfs/dbraw/zinc/73/43/39/430734339.db2.gz HCIJOQSSVUSWJE-INIZCTEOSA-N 2 0 306.450 2.532 20 0 DFADRP CC[NH+](CC)Cc1ccccc1C[NH2+]C[C@](C)(O)C(F)(F)F ZINC000644513842 430738643 /nfs/dbraw/zinc/73/86/43/430738643.db2.gz XNJVLJPJMIRTQD-HNNXBMFYSA-N 2 0 318.383 2.931 20 0 DFADRP CC(C)Cn1nccc1C[NH2+]CC1CC[NH+](CC2CC2)CC1 ZINC000657816120 430743729 /nfs/dbraw/zinc/74/37/29/430743729.db2.gz VNOWJKFSILWSKY-UHFFFAOYSA-N 2 0 304.482 2.751 20 0 DFADRP COc1cccc(C[NH2+]CC2CC[NH+](CC3CC3)CC2)c1OC ZINC000657812509 430744447 /nfs/dbraw/zinc/74/44/47/430744447.db2.gz QIAKZWQLEXEGTB-UHFFFAOYSA-N 2 0 318.461 2.915 20 0 DFADRP Cn1cc(C[NH2+]CC2CC[NH+](CC3CC3)CC2)c(C(F)F)n1 ZINC000657816534 430744899 /nfs/dbraw/zinc/74/48/99/430744899.db2.gz WVYZATPIUOWZSW-UHFFFAOYSA-N 2 0 312.408 2.569 20 0 DFADRP CC(C)[NH+]1CCN(CCC[NH2+][C@@H]2Cc3ccccc3[C@@H]2C)CC1 ZINC000661517855 430746188 /nfs/dbraw/zinc/74/61/88/430746188.db2.gz WROWMRHBZAVMKA-FXAWDEMLSA-N 2 0 315.505 2.721 20 0 DFADRP C[C@H](Cc1cnccn1)[NH2+][C@H](Cc1nccn1C)c1ccccc1 ZINC000651238851 430747582 /nfs/dbraw/zinc/74/75/82/430747582.db2.gz MUHQVRAHNBQQQD-CRAIPNDOSA-N 2 0 321.428 2.715 20 0 DFADRP CC(C)[C@@H](C[NH2+][C@@H]1[C@@H]2CCC[C@@H]2C1(C)C)N1CC[NH+](C)CC1 ZINC000657831604 430747876 /nfs/dbraw/zinc/74/78/76/430747876.db2.gz CNXOVIRPAMXWNJ-XMTFNYHQSA-N 2 0 307.526 2.673 20 0 DFADRP COC1([C@@H](C)[NH2+]Cc2ccccc2OCC[NH+](C)C)CCC1 ZINC000657860677 430754920 /nfs/dbraw/zinc/75/49/20/430754920.db2.gz BZXYLNVKYRVAHF-OAHLLOKOSA-N 2 0 306.450 2.674 20 0 DFADRP CC[C@@H](Cc1ccc(Cl)cc1)[NH2+]C[C@H](C)N1CC[NH+](C)CC1 ZINC000657872357 430757592 /nfs/dbraw/zinc/75/75/92/430757592.db2.gz NGHVCJKNKMAJMU-YJBOKZPZSA-N 2 0 323.912 2.887 20 0 DFADRP CCC[NH+]1CCC(C[NH2+][C@H](COC)CC2CCOCC2)CC1 ZINC000657869881 430757685 /nfs/dbraw/zinc/75/76/85/430757685.db2.gz BHXBRQIRSYNUSR-SFHVURJKSA-N 2 0 312.498 2.530 20 0 DFADRP c1ccc(CC[N@@H+]2CC[C@@H](C[NH2+][C@@H]3COC4(CCC4)C3)C2)cc1 ZINC000657867803 430757763 /nfs/dbraw/zinc/75/77/63/430757763.db2.gz PKFMLLPORLIZOC-OALUTQOASA-N 2 0 314.473 2.852 20 0 DFADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+][C@H]2[C@@H]3CCC[C@@H]3C2(C)C)CC1 ZINC000657870847 430757896 /nfs/dbraw/zinc/75/78/96/430757896.db2.gz QUBZDBIMWMHTMC-MHORFTMASA-N 2 0 307.526 2.674 20 0 DFADRP CN(C)C[C@H](O)C[NH2+][C@H]1CCCC[C@@H]1c1ccccc1Cl ZINC000657875777 430758611 /nfs/dbraw/zinc/75/86/11/430758611.db2.gz PFUWANAHESPXNT-UNEWFSDZSA-N 2 0 310.869 2.878 20 0 DFADRP CC[NH+]1CCC(CC[NH2+]C[C@@H](O)[C@H](C)c2ccccc2)CC1 ZINC000644576581 430759046 /nfs/dbraw/zinc/75/90/46/430759046.db2.gz AZRNORQHJPHZIC-VQIMIIECSA-N 2 0 304.478 2.863 20 0 DFADRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H]2CCCSCC2)[C@@H](C)C1 ZINC000657884456 430760036 /nfs/dbraw/zinc/76/00/36/430760036.db2.gz ULFBYIWWZHYUHZ-ULQDDVLXSA-N 2 0 314.539 2.999 20 0 DFADRP C[C@H]([NH2+]CCN1CC[N@H+](C)C(C)(C)C1)c1cc2cnccc2o1 ZINC000658003574 430783695 /nfs/dbraw/zinc/78/36/95/430783695.db2.gz SPZQXYRYATUARB-AWEZNQCLSA-N 2 0 316.449 2.504 20 0 DFADRP CCOC1CCC([NH2+]CCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000657918430 430767066 /nfs/dbraw/zinc/76/70/66/430767066.db2.gz CIELTDSVSYGMJP-OQSMONGASA-N 2 0 312.498 2.813 20 0 DFADRP CC1(C)[C@H]([NH2+]C2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)[C@@H]2CCC[C@@H]21 ZINC000657925010 430768451 /nfs/dbraw/zinc/76/84/51/430768451.db2.gz LLGIBNBENQDUKY-MDMSPXHWSA-N 2 0 306.494 2.779 20 0 DFADRP CC[NH+]1CCN([C@@H](C)C[NH2+][C@@H]2CCCc3ccccc3C2)CC1 ZINC000648421183 430780482 /nfs/dbraw/zinc/78/04/82/430780482.db2.gz QOCWFVLXUIFQBY-FXAWDEMLSA-N 2 0 315.505 2.550 20 0 DFADRP COc1ccc(C)cc1[C@H](C)[NH2+][C@@H](C)CN(C)CCC[NH+](C)C ZINC000658108334 430815681 /nfs/dbraw/zinc/81/56/81/430815681.db2.gz NCGNNFVQCGJYNE-IRXDYDNUSA-N 2 0 321.509 2.926 20 0 DFADRP O[C@H]1CC[N@H+](Cc2ccc(C[NH2+][C@H]3CCCSCC3)cc2)C1 ZINC000658136327 430821222 /nfs/dbraw/zinc/82/12/22/430821222.db2.gz HVCJOZWDBMQEPW-ROUUACIJSA-N 2 0 320.502 2.629 20 0 DFADRP C[C@H]([NH2+]Cc1cccc(C(F)(F)F)n1)C1CC[NH+](C)CC1 ZINC000651386910 430784497 /nfs/dbraw/zinc/78/44/97/430784497.db2.gz ZEUJVYFLSAMHCG-NSHDSACASA-N 2 0 301.356 2.920 20 0 DFADRP COC1([C@H](C)[NH2+]C[C@@H]2C[N@H+](C)C[C@H]2c2ccccc2)CCC1 ZINC000658042323 430790777 /nfs/dbraw/zinc/79/07/77/430790777.db2.gz UKLYKMMQWGXWAN-JQHSSLGASA-N 2 0 302.462 2.879 20 0 DFADRP Cc1cncc([C@H](C)[NH2+]CC2CC[NH+](C3CCOCC3)CC2)c1 ZINC000658069214 430798027 /nfs/dbraw/zinc/79/80/27/430798027.db2.gz CYHHWXOTEXKJGO-INIZCTEOSA-N 2 0 317.477 2.932 20 0 DFADRP COC[C@@H]([NH2+]CC1CC[NH+](C2CCOCC2)CC1)C1CCCC1 ZINC000658071752 430799466 /nfs/dbraw/zinc/79/94/66/430799466.db2.gz YFCIKOZCDCKJGI-LJQANCHMSA-N 2 0 324.509 2.672 20 0 DFADRP COC[C@H](CC[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C)OC ZINC000658084299 430803276 /nfs/dbraw/zinc/80/32/76/430803276.db2.gz IGJKLHURCBXXIC-WDSOQIARSA-N 2 0 320.477 2.538 20 0 DFADRP COC[C@H](CC[NH2+]C1CC[NH+]([C@H]2CCC[C@H](C)C2)CC1)OC ZINC000658085431 430806605 /nfs/dbraw/zinc/80/66/05/430806605.db2.gz XFBPAFRTGVWVJE-SZMVWBNQSA-N 2 0 312.498 2.671 20 0 DFADRP CCO[C@@H](CC[NH+](C)C)C[NH2+][C@@H]1CCCc2ccccc2C1 ZINC000648500759 430809277 /nfs/dbraw/zinc/80/92/77/430809277.db2.gz GNVMDIFKVSYOOV-MOPGFXCFSA-N 2 0 304.478 2.880 20 0 DFADRP C[N@@H+]1CC[C@H](N[C@@H]2CC[NH+](C3CCCCC3)C2)[C@H]2CCC[C@@H]21 ZINC000658230496 430845695 /nfs/dbraw/zinc/84/56/95/430845695.db2.gz ZEJLJSIFPJYKBF-YSHGAJCASA-N 2 0 305.510 2.856 20 0 DFADRP CC[C@]1(C)CCC[C@H]1[NH2+]Cc1ccnc(N2CC[NH+](C)CC2)c1 ZINC000651678884 430847360 /nfs/dbraw/zinc/84/73/60/430847360.db2.gz HMHKHNYHDYSGBQ-IEBWSBKVSA-N 2 0 316.493 2.892 20 0 DFADRP CC(C)[NH+]1CCC([NH2+][C@H]2CCC[C@H]2Cc2cnn(C)c2)CC1 ZINC000658237667 430849796 /nfs/dbraw/zinc/84/97/96/430849796.db2.gz YRGKUPWMAUKJRB-WMZOPIPTSA-N 2 0 304.482 2.594 20 0 DFADRP [NH3+]C1CCC([NH2+]Cc2cccc(COC[C@@H]3CCCO3)c2)CC1 ZINC000665294533 430888958 /nfs/dbraw/zinc/88/89/58/430888958.db2.gz QOGSNOXIWHQJRS-ACBHZAAOSA-N 2 0 318.461 2.742 20 0 DFADRP C[C@H]([NH2+][C@@H]1C[C@H](O)C12CCC2)c1ccc(OCC[NH+](C)C)cc1 ZINC000658250441 430852922 /nfs/dbraw/zinc/85/29/22/430852922.db2.gz FGHPSOLJEXLEGW-QGTPRVQTSA-N 2 0 318.461 2.581 20 0 DFADRP C[C@H]([NH2+]C[C@H](CO)CC1CC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000658257284 430854795 /nfs/dbraw/zinc/85/47/95/430854795.db2.gz ZEYYRJNDCADNNY-DBVUQKKJSA-N 2 0 316.489 2.895 20 0 DFADRP C[C@@H]1CCC[C@H]([NH+]2CCC([NH2+][C@@H]3C[C@H](O)C34CCC4)CC2)C1 ZINC000658257518 430855030 /nfs/dbraw/zinc/85/50/30/430855030.db2.gz YSXMZWPSGMBOCX-SPUZQDLCSA-N 2 0 306.494 2.923 20 0 DFADRP C[C@H]([NH2+]C[C@@H]1CCN(c2ccccc2Cl)C1)[C@@H]1CCC[NH2+]1 ZINC000665233265 430864444 /nfs/dbraw/zinc/86/44/44/430864444.db2.gz CTCZWXVLBZWPOU-DZKIICNBSA-N 2 0 307.869 2.896 20 0 DFADRP C[NH+](C)CCOc1ccc(C[N@H+](C)[C@@H](CO)CC(C)(C)C)cc1 ZINC000648781846 430889239 /nfs/dbraw/zinc/88/92/39/430889239.db2.gz VCQLARJICFCMCR-QGZVFWFLSA-N 2 0 322.493 2.856 20 0 DFADRP [NH3+][C@H]1C[C@@H](N[C@@H]2C[NH2+]CC[C@@H]2c2ccccc2)c2ccccc21 ZINC000665252100 430869681 /nfs/dbraw/zinc/86/96/81/430869681.db2.gz GWNZNXLLAYWUPQ-XWPNQZOQSA-N 2 0 307.441 2.867 20 0 DFADRP COc1ccc(-c2cc(C[NH2+][C@@H](C)CCCC[NH3+])on2)cc1 ZINC000665262226 430874996 /nfs/dbraw/zinc/87/49/96/430874996.db2.gz WLIOJKMQQPPMKH-ZDUSSCGKSA-N 2 0 303.406 2.957 20 0 DFADRP Fc1ccc2c(c1)OC[C@H]([NH2+][C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1)C2 ZINC000665266694 430877126 /nfs/dbraw/zinc/87/71/26/430877126.db2.gz HXJLBKQDROITTA-YYIAUSFCSA-N 2 0 304.409 2.640 20 0 DFADRP C[C@H]([NH3+])[C@H](Cc1ccccc1)N[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000665266784 430877347 /nfs/dbraw/zinc/87/73/47/430877347.db2.gz JRWZTLGBXCAIBV-HQRMLTQVSA-N 2 0 315.505 2.942 20 0 DFADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CCCc2ccco2)[C@@H](C)C1 ZINC000658327222 430877749 /nfs/dbraw/zinc/87/77/49/430877749.db2.gz NGVYKPIKEDHIFX-FUHWJXTLSA-N 2 0 308.466 2.939 20 0 DFADRP COc1ccc([C@@H](C)[C@@H](C)[NH2+]CC23CC(C2)C[NH2+]3)cc1OC ZINC000665280028 430880720 /nfs/dbraw/zinc/88/07/20/430880720.db2.gz RJZRFGKHBNFDRD-WVGCRTDUSA-N 2 0 304.434 2.537 20 0 DFADRP CC(C)[C@H]([NH3+])CC[NH2+][C@H](C)c1cnn(Cc2ccccc2)c1 ZINC000665281176 430881370 /nfs/dbraw/zinc/88/13/70/430881370.db2.gz WMULLGVJABEPDF-CRAIPNDOSA-N 2 0 300.450 2.955 20 0 DFADRP COc1cc([C@H](C)[NH2+]CC[C@@H]([NH3+])C(C)C)cc(OC)c1OC ZINC000665280046 430881494 /nfs/dbraw/zinc/88/14/94/430881494.db2.gz RNSGKCHXDGFWEH-GXTWGEPZSA-N 2 0 310.438 2.736 20 0 DFADRP CC(C)[C@H]([NH3+])CC[NH2+][C@@H](C)c1ccc(OCC[NH+](C)C)cc1 ZINC000665281018 430881813 /nfs/dbraw/zinc/88/18/13/430881813.db2.gz RQWWXSSIBFLUIG-MAUKXSAKSA-N 3 0 307.482 2.651 20 0 DFADRP Cc1ncc([C@H](C)[NH2+]CC2CC[NH+](CC3CC3)CC2)c(C)n1 ZINC000658355324 430882490 /nfs/dbraw/zinc/88/24/90/430882490.db2.gz IAUCTKSHXQVJSU-ZDUSSCGKSA-N 2 0 302.466 2.866 20 0 DFADRP CC[C@H](Cc1ccc(Br)cc1)[NH2+][C@@H](C)C1C[NH2+]C1 ZINC000665283050 430882974 /nfs/dbraw/zinc/88/29/74/430882974.db2.gz GNBJGKIQKQHIBL-XHDPSFHLSA-N 2 0 311.267 2.968 20 0 DFADRP C[NH2+]CCCC(=O)N1CCC([NH2+][C@H](C)c2ccc(C)cc2)CC1 ZINC000665285040 430883071 /nfs/dbraw/zinc/88/30/71/430883071.db2.gz BCHISGYPMCBIGT-MRXNPFEDSA-N 2 0 317.477 2.636 20 0 DFADRP C[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CCN2Cc2ccccc2)[C@H]2CCC[C@H]21 ZINC000658349389 430883080 /nfs/dbraw/zinc/88/30/80/430883080.db2.gz SVZPXQYWQNXAJT-ZGXWSNOMSA-N 2 0 313.489 2.723 20 0 DFADRP C[NH2+]CCCC(=O)N1CCC([NH2+][C@H](C)[C@@H]2CCCC[C@@H]2C)CC1 ZINC000665289185 430885587 /nfs/dbraw/zinc/88/55/87/430885587.db2.gz INESQBYFIRASDE-LZLYRXPVSA-N 2 0 323.525 2.781 20 0 DFADRP C[C@@H](CCCC[NH3+])[NH2+][C@@H]1CCCC[C@H]1NC(=O)c1ccccc1 ZINC000665288891 430886056 /nfs/dbraw/zinc/88/60/56/430886056.db2.gz ADSGBPNDPQZDFV-CGTJXYLNSA-N 2 0 317.477 2.835 20 0 DFADRP C[NH2+]CCCC(=O)N1CCC([NH2+][C@@H]2CCCC23CCCC3)CC1 ZINC000665289254 430886910 /nfs/dbraw/zinc/88/69/10/430886910.db2.gz JPTPKPYOZGMKSI-QGZVFWFLSA-N 2 0 321.509 2.680 20 0 DFADRP CC[C@H]1CCCC[C@@H]1[NH2+]C1CCN(C(=O)CCC[NH2+]C)CC1 ZINC000665287937 430887198 /nfs/dbraw/zinc/88/71/98/430887198.db2.gz YXXFDQPDLONCDW-RDJZCZTQSA-N 2 0 309.498 2.535 20 0 DFADRP COc1ccccc1-c1cc(C[NH2+][C@@H]2CCCC[C@H]2C[NH3+])on1 ZINC000665299767 430891471 /nfs/dbraw/zinc/89/14/71/430891471.db2.gz SFKKQXMMVQDEKJ-XJKSGUPXSA-N 2 0 315.417 2.957 20 0 DFADRP C[C@H](C[NH+]1CCN([C@@H]2CCC[N@H+](C)C2)CC1)C1CCCCC1 ZINC000645095048 430900176 /nfs/dbraw/zinc/90/01/76/430900176.db2.gz QXJPJULBVBQHHU-IEBWSBKVSA-N 2 0 307.526 2.915 20 0 DFADRP CC(C)[C@H](C(=O)N(C)[C@H](C)C1CC[NH+](C)CC1)[NH+]1CCCCC1 ZINC000648845269 430910362 /nfs/dbraw/zinc/91/03/62/430910362.db2.gz QBPDIVMGIAVWGG-SJLPKXTDSA-N 2 0 323.525 2.686 20 0 DFADRP C[C@@H](C(=O)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1)[C@H](C)[NH3+] ZINC000645157959 430917834 /nfs/dbraw/zinc/91/78/34/430917834.db2.gz YWLOMKODKCVCIE-WWGRRREGSA-N 2 0 323.868 2.576 20 0 DFADRP CC[NH+](CC)CCCC1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC000648858176 430918106 /nfs/dbraw/zinc/91/81/06/430918106.db2.gz KUCISADTBQGFLE-SJLPKXTDSA-N 2 0 323.525 2.687 20 0 DFADRP COC[C@@H]1CCC[N@H+](Cc2ccc(OCC[NH+](C)C)cc2)CC1 ZINC000648867129 430920395 /nfs/dbraw/zinc/92/03/95/430920395.db2.gz SGKFYUJQWSDWCL-GOSISDBHSA-N 2 0 320.477 2.876 20 0 DFADRP c1cc([C@@H]2C[C@H]([NH2+][C@H]3CC[N@@H+]4CCC[C@H]4C3)CCO2)ccn1 ZINC000651966098 430928387 /nfs/dbraw/zinc/92/83/87/430928387.db2.gz PDUVMBPBWWJLPG-MHORFTMASA-N 2 0 301.434 2.518 20 0 DFADRP C[C@H]([NH2+]Cc1ccc(OCC[NH+](C)C)cc1)c1cc[nH]c(=O)c1 ZINC000645191382 430929603 /nfs/dbraw/zinc/92/96/03/430929603.db2.gz XQVPBJZWAXSDBG-AWEZNQCLSA-N 2 0 315.417 2.578 20 0 DFADRP CC(C)[C@@H]([NH3+])CC(=O)NCc1ccccc1C[NH+]1CCCCC1 ZINC000645226210 430941935 /nfs/dbraw/zinc/94/19/35/430941935.db2.gz NNVBBSMLQSYPGQ-SFHVURJKSA-N 2 0 317.477 2.662 20 0 DFADRP CCCOc1cccc(CN2CCC([N@@H+]3CC[C@H](O)C3)CC2)c1 ZINC000662152766 430979538 /nfs/dbraw/zinc/97/95/38/430979538.db2.gz ZMKKGGUVFCLRLL-SFHVURJKSA-N 2 0 318.461 2.506 20 0 DFADRP CC[NH+]1CCC(NC(=O)C[N@@H+]2CCCC[C@@H]2CC2CCC2)CC1 ZINC000662158790 430984267 /nfs/dbraw/zinc/98/42/67/430984267.db2.gz XIBUDZBSGHUFAB-GOSISDBHSA-N 2 0 321.509 2.632 20 0 DFADRP C[C@@H]1C[NH+](Cc2ccccc2C[NH2+][C@@H]2CCSC2)C[C@@H](C)O1 ZINC000177888805 278783863 /nfs/dbraw/zinc/78/38/63/278783863.db2.gz TVYVRQXPUMGAGP-IIDMSEBBSA-N 2 0 320.502 2.891 20 0 DFADRP C[N@@H+](Cc1cccc2c1CC[NH2+]C2)C[C@@H]1COc2ccccc2O1 ZINC000662249652 431012185 /nfs/dbraw/zinc/01/21/85/431012185.db2.gz RKUSGIGKXSXBEG-QGZVFWFLSA-N 2 0 324.424 2.604 20 0 DFADRP CC(C)[C@@H]([NH3+])CC(=O)Nc1cccc(C[NH+]2CCCCC2)c1 ZINC000645467094 431011090 /nfs/dbraw/zinc/01/10/90/431011090.db2.gz VWQFNSQSIZZSBO-KRWDZBQOSA-N 2 0 303.450 2.984 20 0 DFADRP CC(C)[C@H](C(=O)N[C@H]1CCC[N@@H+]2CCCC[C@@H]12)[NH+]1CCCCC1 ZINC000655348568 430969943 /nfs/dbraw/zinc/96/99/43/430969943.db2.gz BZJOXLHHELASOX-OKZBNKHCSA-N 2 0 321.509 2.630 20 0 DFADRP Clc1ccc([C@H]2CC[N@H+](C[C@H]3CCC4(C[NH2+]C4)O3)C2)cc1 ZINC000662256609 431019565 /nfs/dbraw/zinc/01/95/65/431019565.db2.gz WZPWUSSWDHGGOR-GOEBONIOSA-N 2 0 306.837 2.650 20 0 DFADRP CC[C@@H](Cc1ccccc1)[N@H+](CC)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662258682 431020217 /nfs/dbraw/zinc/02/02/17/431020217.db2.gz YZBMQWPYERKXJW-ZWKOTPCHSA-N 2 0 302.462 2.851 20 0 DFADRP C[C@@]1(CCc2ccccc2)CC[N@H+](C[C@H]2CCC3(C[NH2+]C3)O2)C1 ZINC000662257834 431020533 /nfs/dbraw/zinc/02/05/33/431020533.db2.gz RMGFDLPMXOZMES-RTBURBONSA-N 2 0 314.473 2.852 20 0 DFADRP c1cc(CN2CCC[C@H]([NH+]3CCCC3)CC2)c2c(c1)C[NH2+]CC2 ZINC000662263313 431021149 /nfs/dbraw/zinc/02/11/49/431021149.db2.gz LHQZGHGKMADVAG-IBGZPJMESA-N 2 0 313.489 2.783 20 0 DFADRP c1ccc(NC[C@H]2CC[N@H+](Cc3cccc4c3CC[NH2+]C4)C2)nc1 ZINC000662266144 431021626 /nfs/dbraw/zinc/02/16/26/431021626.db2.gz XYIXHEBKCHDPBE-MRXNPFEDSA-N 2 0 322.456 2.661 20 0 DFADRP Cc1nccn1C[C@@H]1CCC[N@@H+]1Cc1cccc2c1CC[NH2+]C2 ZINC000662262286 431022568 /nfs/dbraw/zinc/02/25/68/431022568.db2.gz DZKKQXJBDJDVIW-SFHVURJKSA-N 2 0 310.445 2.502 20 0 DFADRP C[C@@H]1CCC[N@H+](CCCCNC(=O)c2cccc3c2C[NH2+]C3)C1 ZINC000662389606 431069216 /nfs/dbraw/zinc/06/92/16/431069216.db2.gz UDTSTULPHYKRRG-OAHLLOKOSA-N 2 0 315.461 2.532 20 0 DFADRP CC(C)=CCC[N@@H+](Cc1nccn1C)[C@H]1CC12CC[NH2+]CC2 ZINC000662269221 431025775 /nfs/dbraw/zinc/02/57/75/431025775.db2.gz ADTRVLBCXLSXFF-INIZCTEOSA-N 2 0 302.466 2.721 20 0 DFADRP Cc1nn(C)cc1[C@@H]1CCC[N@@H+]1Cc1ccc2c(c1)C[NH2+]CC2 ZINC000652339995 431025857 /nfs/dbraw/zinc/02/58/57/431025857.db2.gz WVCWMGKMEMKZIX-IBGZPJMESA-N 2 0 310.445 2.711 20 0 DFADRP C[NH+](C)[C@H]1C[C@@H](CNC(=O)CC[C@H]([NH3+])CC2CCCCC2)C1 ZINC000655488773 431026170 /nfs/dbraw/zinc/02/61/70/431026170.db2.gz GBPBBWPFAXENBS-YESZJQIVSA-N 2 0 309.498 2.521 20 0 DFADRP CCCc1nc(C[N@@H+]2CCC[C@H]([C@H]3C[C@@H]([NH3+])CCO3)C2)cs1 ZINC000652348426 431027353 /nfs/dbraw/zinc/02/73/53/431027353.db2.gz DGRMUMSTEMKIDG-OFQRWUPVSA-N 2 0 323.506 2.814 20 0 DFADRP CCc1cccc(C[N@@H+]2CCC[C@H]([C@@H]3C[C@H]([NH3+])CCO3)C2)c1 ZINC000652349392 431027832 /nfs/dbraw/zinc/02/78/32/431027832.db2.gz MZYFXARXSRULRK-OTWHNJEPSA-N 2 0 302.462 2.967 20 0 DFADRP C[C@@H]1CCCC[C@@H]1OCC[N@@H+]1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1 ZINC000652348225 431028083 /nfs/dbraw/zinc/02/80/83/431028083.db2.gz YEKLOFKKVIJVHR-MTHXSQLBSA-N 2 0 324.509 2.800 20 0 DFADRP Cc1sc(NC(=O)CN2C[C@@H]3CCC[C@]3(C[NH3+])C2)c(C)c1C ZINC000652352104 431028436 /nfs/dbraw/zinc/02/84/36/431028436.db2.gz FPYWAYYDASIOOS-YOEHRIQHSA-N 2 0 321.490 2.673 20 0 DFADRP CC1CC[NH+](Cc2ccc(NC(=O)[C@H]3[NH2+]CC3(C)C)cc2)CC1 ZINC000645543956 431029072 /nfs/dbraw/zinc/02/90/72/431029072.db2.gz OKCHOIXTJKXPAP-QGZVFWFLSA-N 2 0 315.461 2.855 20 0 DFADRP C[C@H]1CCC[N@H+](CCc2nc(-c3ccccc3)no2)[C@@H]1CC[NH3+] ZINC000652355197 431029764 /nfs/dbraw/zinc/02/97/64/431029764.db2.gz QUCIVOOZCCGHCZ-GOEBONIOSA-N 2 0 314.433 2.728 20 0 DFADRP COc1ccc([C@@H](C[NH3+])C[N@@H+]2CCC[C@H](OC(C)C)C2)cc1 ZINC000652353198 431030630 /nfs/dbraw/zinc/03/06/30/431030630.db2.gz OXNIYUXSERISFD-WMZOPIPTSA-N 2 0 306.450 2.627 20 0 DFADRP Fc1ccc(SCC[N@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)c(F)c1 ZINC000662273793 431030699 /nfs/dbraw/zinc/03/06/99/431030699.db2.gz PERMAHMXXIMRGD-BETUJISGSA-N 2 0 312.429 2.988 20 0 DFADRP C[C@H]1CCC[N@H+](CCOCCOc2ccccc2)[C@H]1CC[NH3+] ZINC000652354440 431031042 /nfs/dbraw/zinc/03/10/42/431031042.db2.gz YRDDRJKXJVQBLN-WMZOPIPTSA-N 2 0 306.450 2.531 20 0 DFADRP C[C@@H]1CCC[N@H+](CCCOc2ccc3c(c2)OCO3)[C@H]1CC[NH3+] ZINC000652354748 431031259 /nfs/dbraw/zinc/03/12/59/431031259.db2.gz HFQPJEVXEBSWBU-ZBFHGGJFSA-N 2 0 320.433 2.634 20 0 DFADRP CC[N@H+](CCc1nccs1)Cc1cccc2c1CC[NH2+]C2 ZINC000662279340 431031942 /nfs/dbraw/zinc/03/19/42/431031942.db2.gz RVSSZYYUSTYUTG-UHFFFAOYSA-N 2 0 301.459 2.853 20 0 DFADRP c1nn(C2CC[NH+](C[C@@H]3CC[C@H]4C[C@H]4C3)CC2)c2c1C[NH2+]C2 ZINC000662283420 431032076 /nfs/dbraw/zinc/03/20/76/431032076.db2.gz NUTPXNGFHAVTJA-QLFBSQMISA-N 2 0 300.450 2.559 20 0 DFADRP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCC[N@@H+]2Cc2ccncc2Cl)C1 ZINC000652363324 431033259 /nfs/dbraw/zinc/03/32/59/431033259.db2.gz AZKSSNLFJDKISO-FVQBIDKESA-N 2 0 309.841 2.596 20 0 DFADRP OCCC[N@H+](Cc1ccccc1)Cc1cccc2c1CC[NH2+]C2 ZINC000662286849 431034602 /nfs/dbraw/zinc/03/46/02/431034602.db2.gz SRBVUCGWUHHSLM-UHFFFAOYSA-N 2 0 310.441 2.717 20 0 DFADRP COc1c(C)cnc(C[N@@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)c1C ZINC000662293791 431034996 /nfs/dbraw/zinc/03/49/96/431034996.db2.gz NVCUPOYPMNIZHD-QGZVFWFLSA-N 2 0 317.477 2.919 20 0 DFADRP CO[C@H](C[N@@H+]1CCCC[C@@H]1[C@@H]1C[C@@H]([NH3+])CCO1)C1CCCC1 ZINC000662284994 431035457 /nfs/dbraw/zinc/03/54/57/431035457.db2.gz TUUCHCLRLFSGIG-XWTMOSNGSA-N 2 0 310.482 2.552 20 0 DFADRP COc1cccc(OCC[N@@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)c1 ZINC000662294567 431035470 /nfs/dbraw/zinc/03/54/70/431035470.db2.gz QXOARHAPKDTJBM-KRWDZBQOSA-N 2 0 318.461 2.786 20 0 DFADRP COCC[NH2+]C1CC[NH+](CC[C@H]2CCc3ccccc32)CC1 ZINC000662287087 431035594 /nfs/dbraw/zinc/03/55/94/431035594.db2.gz VVHHWQHNJZLLPQ-QGZVFWFLSA-N 2 0 302.462 2.807 20 0 DFADRP CO[C@H](C[N@@H+]1CCCC[C@@H]1[C@@H]1C[C@H]([NH3+])CCO1)C1CCCC1 ZINC000662284995 431036224 /nfs/dbraw/zinc/03/62/24/431036224.db2.gz TUUCHCLRLFSGIG-ZJPYXAASSA-N 2 0 310.482 2.552 20 0 DFADRP C[C@H](C(=O)NC1CCCCC1)[N@@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662298032 431038443 /nfs/dbraw/zinc/03/84/43/431038443.db2.gz UEGVHVHOXPJIOL-WBVHZDCISA-N 2 0 321.509 2.535 20 0 DFADRP COc1ccc(CC[N@@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)cc1 ZINC000662295813 431039177 /nfs/dbraw/zinc/03/91/77/431039177.db2.gz VHYJJILWVHWSDS-GOSISDBHSA-N 2 0 302.462 2.949 20 0 DFADRP Cn1cc(C[C@@H]2CCC[C@@H]2[NH2+]CCCC2CC[NH2+]CC2)cn1 ZINC000662310693 431041731 /nfs/dbraw/zinc/04/17/31/431041731.db2.gz MKHWFOFRZBIRMK-ROUUACIJSA-N 2 0 304.482 2.501 20 0 DFADRP Cn1cc(C[C@H]2CCC[C@H]2[NH2+]Cc2cccc3c2CC[NH2+]C3)cn1 ZINC000662310262 431041911 /nfs/dbraw/zinc/04/19/11/431041911.db2.gz IYZHJSNXGXNIDD-OXQOHEQNSA-N 2 0 324.472 2.567 20 0 DFADRP C[C@@H]1CCC[N@H+](CC(=O)N(C)C2CCCCC2)[C@@H]1CCC[NH3+] ZINC000662312912 431042254 /nfs/dbraw/zinc/04/22/54/431042254.db2.gz AFXMEVPDYKVGPP-NVXWUHKLSA-N 2 0 309.498 2.617 20 0 DFADRP C[C@@H]1CCC[N@H+](CCC(=O)Nc2ccccc2)[C@@H]1CCC[NH3+] ZINC000662313315 431043750 /nfs/dbraw/zinc/04/37/50/431043750.db2.gz KKLRQVZSXKMOEM-NVXWUHKLSA-N 2 0 303.450 2.855 20 0 DFADRP Cc1ccc2nc(C[N@H+]3CCC[C@@H](C)[C@H]3CCC[NH3+])cn2c1 ZINC000662313284 431044381 /nfs/dbraw/zinc/04/43/81/431044381.db2.gz JOIUPXMGDXBEGD-NVXWUHKLSA-N 2 0 300.450 2.982 20 0 DFADRP C[C@@H]1CCC[N@@H+](CC(=O)N[C@@H]2CCCC[C@@H]2C)[C@@H]1CCC[NH3+] ZINC000662313355 431044747 /nfs/dbraw/zinc/04/47/47/431044747.db2.gz LAFLMMPSZPVKAL-YLFCFFPRSA-N 2 0 309.498 2.521 20 0 DFADRP CCc1ccccc1CC[N@@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000662322284 431047656 /nfs/dbraw/zinc/04/76/56/431047656.db2.gz GSDIZAGMIYTXBD-IBGZPJMESA-N 2 0 304.478 2.834 20 0 DFADRP C[C@@H]1CCCC[N@@H+]1CCCNC(=O)C[C@@H]1[NH2+]Cc2ccccc21 ZINC000662352423 431055602 /nfs/dbraw/zinc/05/56/02/431055602.db2.gz VBRHFPCARVOMLH-QAPCUYQASA-N 2 0 315.461 2.602 20 0 DFADRP CCc1ccc2[nH+]ccc(NCC[NH+]3CCC(OC)CC3)c2c1 ZINC000649294675 431058385 /nfs/dbraw/zinc/05/83/85/431058385.db2.gz NWIYKJHPYURHIT-UHFFFAOYSA-N 2 0 313.445 2.742 20 0 DFADRP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)[C@@H]2CCCCC[NH2+]2)C1 ZINC000649310917 431062144 /nfs/dbraw/zinc/06/21/44/431062144.db2.gz NLDJHAYSCSGLLV-SQNIBIBYSA-N 2 0 321.509 2.632 20 0 DFADRP CC(C)([NH3+])CCC(=O)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000649308948 431062188 /nfs/dbraw/zinc/06/21/88/431062188.db2.gz JJIBJVNGBVRRPK-AWEZNQCLSA-N 2 0 323.506 2.594 20 0 DFADRP C[NH+](C)CCc1ccc(NC(=O)C[C@@H]2[NH2+]Cc3ccccc32)cc1 ZINC000659284273 431012429 /nfs/dbraw/zinc/01/24/29/431012429.db2.gz CVDVJPQPESRYEP-IBGZPJMESA-N 2 0 323.440 2.964 20 0 DFADRP CCOc1ccc([C@@H]2CCC[N@@H+]2C[C@@H]2CCC3(C[NH2+]C3)O2)cc1 ZINC000662248497 431013478 /nfs/dbraw/zinc/01/34/78/431013478.db2.gz DGUGUUDIMMSWBB-ROUUACIJSA-N 2 0 316.445 2.743 20 0 DFADRP C[C@@H](CNC(=O)C[C@H]1[NH2+]Cc2ccccc21)[N@@H+]1CCCC[C@H]1C ZINC000659291472 431013753 /nfs/dbraw/zinc/01/37/53/431013753.db2.gz GUEXDCUJDVMHGN-RVKKMQEKSA-N 2 0 315.461 2.600 20 0 DFADRP C[C@H](CNC(=O)C[C@@H]1[NH2+]Cc2ccccc21)[N@@H+]1CCCC[C@H]1C ZINC000659291469 431014464 /nfs/dbraw/zinc/01/44/64/431014464.db2.gz GUEXDCUJDVMHGN-RKVPGOIHSA-N 2 0 315.461 2.600 20 0 DFADRP CC(C)C[N@H+](CCc1ccccc1)C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662251493 431014692 /nfs/dbraw/zinc/01/46/92/431014692.db2.gz FRAXMPMMXZUYTK-SFHVURJKSA-N 2 0 302.462 2.708 20 0 DFADRP CC(C)[C@@H](CNC(=O)C1([NH3+])CC2(CCC2)C1)[NH+]1CCC(C)CC1 ZINC000659293011 431014796 /nfs/dbraw/zinc/01/47/96/431014796.db2.gz TYXZOWKCMYKDGD-MRXNPFEDSA-N 2 0 321.509 2.521 20 0 DFADRP c1ccc(C[N@H+](CC2CCC2)C[C@H]2CCC3(C[NH2+]C3)O2)cc1 ZINC000662254910 431015388 /nfs/dbraw/zinc/01/53/88/431015388.db2.gz UXKWJMBMEBJWQQ-GOSISDBHSA-N 2 0 300.446 2.810 20 0 DFADRP CCO[C@@H]1C[C@@H]([N@H+](C)C[C@H]2CCC3(C[NH2+]C3)O2)C12CCCCC2 ZINC000662255707 431016150 /nfs/dbraw/zinc/01/61/50/431016150.db2.gz DPZQMHRLBWTBNX-BRWVUGGUSA-N 2 0 322.493 2.567 20 0 DFADRP c1ccc(CC[C@H]2CCC[N@@H+]2C[C@H]2CCC3(C[NH2+]C3)O2)cc1 ZINC000662251107 431017333 /nfs/dbraw/zinc/01/73/33/431017333.db2.gz YWUUMXVSCNPRPH-QZTJIDSGSA-N 2 0 300.446 2.605 20 0 DFADRP CC1CCC(OC2CC[NH+](C[C@H]3CCC4(C[NH2+]C4)O3)CC2)CC1 ZINC000662258069 431017617 /nfs/dbraw/zinc/01/76/17/431017617.db2.gz SAFDUQAAYLDDEK-LEOMRAHMSA-N 2 0 322.493 2.567 20 0 DFADRP Cc1ccccc1C[C@H]1CCC[N@@H+]1C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662258103 431019077 /nfs/dbraw/zinc/01/90/77/431019077.db2.gz SCGYBKRWJNMUNQ-MSOLQXFVSA-N 2 0 300.446 2.523 20 0 DFADRP Cc1ccc(C[C@@H]2CCC[N@@H+]2C[C@H]2CCC3(C[NH2+]C3)O2)cc1 ZINC000662257931 431019123 /nfs/dbraw/zinc/01/91/23/431019123.db2.gz RILADUXQLAKZOA-ZWKOTPCHSA-N 2 0 300.446 2.523 20 0 DFADRP Clc1cccc2c1C[C@H]([NH2+]CCCC[NH+]1CCOCC1)CC2 ZINC000666082831 431109962 /nfs/dbraw/zinc/10/99/62/431109962.db2.gz HDWPNZGEBBEAIO-MRXNPFEDSA-N 2 0 322.880 2.899 20 0 DFADRP C[C@@H]1CC[C@@H]([NH2+]Cc2ccccc2C[N@@H+]2CC[C@H](O)C2)CS1 ZINC000655750985 431113841 /nfs/dbraw/zinc/11/38/41/431113841.db2.gz ILEPVSCJTNOKLH-OLMNPRSZSA-N 2 0 320.502 2.627 20 0 DFADRP C[C@H]([NH2+][C@]1(CO)CCCN(Cc2ccccc2)C1)[C@H]1C[C@H]1C ZINC000666120277 431121065 /nfs/dbraw/zinc/12/10/65/431121065.db2.gz JOHIVJUNZLJFRO-KCITZHQASA-N 2 0 302.462 2.648 20 0 DFADRP C[C@H]([NH3+])c1ccc(C(=O)N2CCC[C@H](C3CC[NH2+]CC3)C2)cc1 ZINC000662593590 431124386 /nfs/dbraw/zinc/12/43/86/431124386.db2.gz JNVVVKRUWZXOHW-KSSFIOAISA-N 2 0 315.461 2.558 20 0 DFADRP CC[NH+](CC)CCn1ccc2cc(NC(=O)C[C@@H](C)[NH3+])ccc21 ZINC000645810685 431078916 /nfs/dbraw/zinc/07/89/16/431078916.db2.gz SUTKIMWVYFZCBI-CQSZACIVSA-N 2 0 316.449 2.659 20 0 DFADRP Cc1cnccc1CC[NH+]1CCC(OCC[NH+]2CCCC2)CC1 ZINC000645811329 431079229 /nfs/dbraw/zinc/07/92/29/431079229.db2.gz KWRNOJDADFTNES-UHFFFAOYSA-N 2 0 317.477 2.509 20 0 DFADRP CC[NH+](CC)Cc1ccc(C(=O)N[C@H]2CC[NH2+]C23CCCC3)o1 ZINC000649372833 431080329 /nfs/dbraw/zinc/08/03/29/431080329.db2.gz HRJJDWAPFMDBBU-INIZCTEOSA-N 2 0 319.449 2.526 20 0 DFADRP CC1(C)CC(NC2CC[NH+](C[C@@H]3CCCO3)CC2)CC(C)(C)[NH2+]1 ZINC000655683187 431080988 /nfs/dbraw/zinc/08/09/88/431080988.db2.gz PHLYSVWKPOTVSY-KRWDZBQOSA-N 2 0 323.525 2.529 20 0 DFADRP CC(C)[C@@H]([NH3+])CC(=O)N1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000649378494 431081390 /nfs/dbraw/zinc/08/13/90/431081390.db2.gz AGEWSGUWOLRADC-AEFFLSMTSA-N 2 0 323.525 2.863 20 0 DFADRP Cc1cc2c(c(C)c1)[C@H]([NH2+]CCCN1CC[NH+](C)CC1)CC2 ZINC000655693583 431085627 /nfs/dbraw/zinc/08/56/27/431085627.db2.gz FLRRMMYKEQQJEM-GOSISDBHSA-N 2 0 301.478 2.518 20 0 DFADRP Cc1ccc(NC(=O)c2cccc3c2C[NH2+]C3)c(C[NH+](C)C)c1 ZINC000662460079 431086509 /nfs/dbraw/zinc/08/65/09/431086509.db2.gz PQUGLTJACPJKPJ-UHFFFAOYSA-N 2 0 309.413 2.912 20 0 DFADRP CCOc1ccc(C[NH2+]C2CCN([C@H]3CCOC3)CC2)cc1F ZINC000655711098 431092715 /nfs/dbraw/zinc/09/27/15/431092715.db2.gz DVBYOFPQOVVXHI-INIZCTEOSA-N 2 0 322.424 2.567 20 0 DFADRP Cc1cc(C)n([C@H]2CCC[N@H+](CCCC3CC[NH2+]CC3)C2)n1 ZINC000649413131 431093236 /nfs/dbraw/zinc/09/32/36/431093236.db2.gz MTRMDMUQJWBVJO-SFHVURJKSA-N 2 0 304.482 2.917 20 0 DFADRP COc1ccc([C@@H](C[NH3+])C[N@@H+]2CCC[C@H]2c2ccccn2)cc1 ZINC000649411724 431093347 /nfs/dbraw/zinc/09/33/47/431093347.db2.gz ZHBFLMFZHIJING-LPHOPBHVSA-N 2 0 311.429 2.970 20 0 DFADRP CCCN(C[C@H]1CC[NH2+]C1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000649411912 431094594 /nfs/dbraw/zinc/09/45/94/431094594.db2.gz TVEYAQWXLWDVJN-VQTJNVASSA-N 2 0 315.505 2.973 20 0 DFADRP Cc1ccc2nc(C[N@@H+]3CCC[C@@H]([C@@H]4CCC[NH2+]C4)C3)cn2c1 ZINC000649417797 431095892 /nfs/dbraw/zinc/09/58/92/431095892.db2.gz HFRDUCQBQDCMLA-IAGOWNOFSA-N 2 0 312.461 2.854 20 0 DFADRP CC(C)[NH+](CCCNC(=O)C[C@H]1[NH2+]Cc2ccccc21)C(C)C ZINC000662487581 431095969 /nfs/dbraw/zinc/09/59/69/431095969.db2.gz YPJNJPAEAYXXDV-GOSISDBHSA-N 2 0 317.477 2.846 20 0 DFADRP CC[C@H]([NH2+]C)C(=O)N(CC)[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000662502198 431098418 /nfs/dbraw/zinc/09/84/18/431098418.db2.gz JQHISQILVNJGRO-SZMVWBNQSA-N 2 0 317.477 2.668 20 0 DFADRP CN(CCC[N@H+](C)C[C@H]1CCn2ccnc2C1)c1ccccc1 ZINC000645892686 431105771 /nfs/dbraw/zinc/10/57/71/431105771.db2.gz GPNARSCMBIGZNE-KRWDZBQOSA-N 2 0 312.461 2.904 20 0 DFADRP CC[N@H+](C)[C@H](C(=O)NCC1(C)CC[NH+](C)CC1)c1ccccc1 ZINC000272569487 279045121 /nfs/dbraw/zinc/04/51/21/279045121.db2.gz VPEUZVCFFQBSDV-KRWDZBQOSA-N 2 0 317.477 2.528 20 0 DFADRP C[N@@H+](Cc1ccccc1)CC1CCN(C[C@H]2CCC[NH+]2C)CC1 ZINC000649506623 431128382 /nfs/dbraw/zinc/12/83/82/431128382.db2.gz SNLXBYUHOGKUBP-HXUWFJFHSA-N 2 0 315.505 2.925 20 0 DFADRP C[C@@H]([NH2+][C@H]1c2sccc2OC(C)(C)[C@@H]1O)C1CC[NH+](C)CC1 ZINC000666165799 431133359 /nfs/dbraw/zinc/13/33/59/431133359.db2.gz KDKGOIATEUOGOX-DIOULYMOSA-N 2 0 324.490 2.641 20 0 DFADRP CC[NH+](CC)[C@H](C(=O)NCC[NH+]1CCCCC1)c1ccccc1 ZINC000354077227 279153499 /nfs/dbraw/zinc/15/34/99/279153499.db2.gz CDWWFPCMKSCIFN-SFHVURJKSA-N 2 0 317.477 2.672 20 0 DFADRP CC(C)C[C@H]([NH3+])C(=O)N(C)C1CC[NH+](C2CCC(C)CC2)CC1 ZINC000166560520 279174841 /nfs/dbraw/zinc/17/48/41/279174841.db2.gz IIGQJJWDNWJGGE-VJFUWPCTSA-N 2 0 323.525 2.861 20 0 DFADRP CC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC000361527789 279273574 /nfs/dbraw/zinc/27/35/74/279273574.db2.gz SXNDEHUGSYKCEX-SJLPKXTDSA-N 2 0 321.509 2.632 20 0 DFADRP CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)[C@H]1CC[NH+](C2CCCCC2)C1 ZINC000361495209 279300393 /nfs/dbraw/zinc/30/03/93/279300393.db2.gz CQJMQSMBDGESGJ-FUHWJXTLSA-N 2 0 321.509 2.584 20 0 DFADRP C[C@H](C[NH2+][C@@H]1C[C@H](c2ccccc2)C1(C)C)N1CC[NH+](C)CC1 ZINC000123177969 279351066 /nfs/dbraw/zinc/35/10/66/279351066.db2.gz XJCGRNUQHNFQKY-BHIYHBOVSA-N 2 0 315.505 2.794 20 0 DFADRP CC[NH+]1CCN(CCC[NH2+][C@H]2CCCNc3ccccc32)CC1 ZINC000192665594 279357395 /nfs/dbraw/zinc/35/73/95/279357395.db2.gz RIDJLFBTHBVPCV-IBGZPJMESA-N 2 0 316.493 2.551 20 0 DFADRP CC(C)[N@H+](C)Cc1ccccc1CNC(=O)CC[C@@H]1CC[NH2+]C1 ZINC000261795001 279384073 /nfs/dbraw/zinc/38/40/73/279384073.db2.gz DJMUUGWCZZXARX-MRXNPFEDSA-N 2 0 317.477 2.533 20 0 DFADRP CC(C)[N@H+](C)Cc1ccccc1CNC(=O)CC[C@H]1CC[NH2+]C1 ZINC000261794992 279384116 /nfs/dbraw/zinc/38/41/16/279384116.db2.gz DJMUUGWCZZXARX-INIZCTEOSA-N 2 0 317.477 2.533 20 0 DFADRP CCC[NH+]1CCC(N(C)C(=O)C[C@@H]2[NH2+]Cc3ccccc32)CC1 ZINC000662691516 431163348 /nfs/dbraw/zinc/16/33/48/431163348.db2.gz SNUBGMLLUNATLN-SFHVURJKSA-N 2 0 315.461 2.554 20 0 DFADRP CC(C)[C@H]([NH3+])CC(=O)NC[C@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000646071431 431170216 /nfs/dbraw/zinc/17/02/16/431170216.db2.gz HQBHNMSNWYXUNT-CKEIUWERSA-N 2 0 323.506 2.621 20 0 DFADRP C[NH+](C)[C@H]1C[C@@H](C[NH2+]Cc2ccc(OC[C@@H]3CCCO3)cc2)C1 ZINC000655826566 431171731 /nfs/dbraw/zinc/17/17/31/431171731.db2.gz JAWFXWGIPVHMMC-SCTDSRPQSA-N 2 0 318.461 2.674 20 0 DFADRP C[NH+](C)[C@H]1C[C@@H](C[NH2+]Cc2cc(Br)cs2)C1 ZINC000655826665 431171931 /nfs/dbraw/zinc/17/19/31/431171931.db2.gz XBEAOUKWANINOQ-JGZJWPJOSA-N 2 0 303.269 2.940 20 0 DFADRP C[NH+](C)[C@H]1C[C@@H](C[NH2+]Cc2c[nH]nc2-c2ccccc2F)C1 ZINC000655827323 431172287 /nfs/dbraw/zinc/17/22/87/431172287.db2.gz RVHYYYOQXYUCCO-XBXGTLAGSA-N 2 0 302.397 2.646 20 0 DFADRP COc1cccc2c1OCC[C@@H]2[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@H]21 ZINC000655851598 431185954 /nfs/dbraw/zinc/18/59/54/431185954.db2.gz ZIBPASFQNQGMCM-ORQFMDKSSA-N 2 0 316.445 2.981 20 0 DFADRP CC(C)[C@@H]([NH3+])CC(=O)NC1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000646014362 431148743 /nfs/dbraw/zinc/14/87/43/431148743.db2.gz CKFUGWYLNHLWQZ-YJBOKZPZSA-N 2 0 317.477 2.702 20 0 DFADRP Cn1ccnc1[C@H]([NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1)c1cccc(F)c1 ZINC000655804797 431153963 /nfs/dbraw/zinc/15/39/63/431153963.db2.gz BTXIAMLNRVNOKY-XOKHGSTOSA-N 2 0 316.424 2.578 20 0 DFADRP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CC[NH+](C[C@@H]2C[C@H]3C[C@H]3C2)CC1 ZINC000659864454 431155820 /nfs/dbraw/zinc/15/58/20/431155820.db2.gz LGWXHDIYHXOSGF-DQCOHUIHSA-N 2 0 305.510 2.523 20 0 DFADRP COc1cc(NC(C)=O)ccc1[C@H](C)[NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000655805835 431157390 /nfs/dbraw/zinc/15/73/90/431157390.db2.gz TZRUWWCOEFEIPO-DUVNUKRYSA-N 2 0 319.449 2.644 20 0 DFADRP COc1cc(NC(C)=O)ccc1[C@@H](C)[NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000655805836 431157978 /nfs/dbraw/zinc/15/79/78/431157978.db2.gz TZRUWWCOEFEIPO-XPKDYRNWSA-N 2 0 319.449 2.644 20 0 DFADRP C[C@@H]([NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1)c1cccc(OCC[NH+](C)C)c1 ZINC000655806201 431158129 /nfs/dbraw/zinc/15/81/29/431158129.db2.gz QZNIDUAKNLIRFL-NUJGCVRESA-N 3 0 319.493 2.618 20 0 DFADRP C[C@@H]1C[C@@H](N(C)C(=O)CCCC[NH3+])CC[N@@H+]1Cc1ccccc1 ZINC000646046039 431159362 /nfs/dbraw/zinc/15/93/62/431159362.db2.gz AKZZPWPNDGQBTM-AEFFLSMTSA-N 2 0 317.477 2.627 20 0 DFADRP CC[NH+](CC)Cc1cccc(CNC(=O)[C@@H]2[NH2+]CCC2(C)C)c1 ZINC000662676111 431159606 /nfs/dbraw/zinc/15/96/06/431159606.db2.gz YRNOGFPNHNYNSL-KRWDZBQOSA-N 2 0 317.477 2.533 20 0 DFADRP C[NH2+]Cc1ccc(NC(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@@H]23)cc1 ZINC000655909412 431213722 /nfs/dbraw/zinc/21/37/22/431213722.db2.gz JBRYBDPKSKOIML-SJORKVTESA-N 2 0 316.449 2.544 20 0 DFADRP CCN(C)[C@H](C(=O)N(C)CC[NH+]1CCCCC1)c1ccccc1 ZINC000652989002 431216113 /nfs/dbraw/zinc/21/61/13/431216113.db2.gz RWSBHFDXVURGOH-SFHVURJKSA-N 2 0 317.477 2.624 20 0 DFADRP C[C@H]([NH3+])c1ccc(C(=O)NC[C@H]2CCC[N@H+](CC3CC3)C2)cc1 ZINC000663005853 431253616 /nfs/dbraw/zinc/25/36/16/431253616.db2.gz YPEOAVWGOQCDEC-GOEBONIOSA-N 2 0 315.461 2.558 20 0 DFADRP CO[C@@H](C[NH+]1CCC(CCC[NH+]2CCCC2)CC1)[C@H]1CCOC1 ZINC000660122336 431280050 /nfs/dbraw/zinc/28/00/50/431280050.db2.gz USLFRZNUCLYCSQ-OALUTQOASA-N 2 0 324.509 2.626 20 0 DFADRP CN(Cc1ccccc1)C[C@H](O)C[NH+]1CCC2(CC2(F)F)CC1 ZINC000649776835 431287222 /nfs/dbraw/zinc/28/72/22/431287222.db2.gz YYGOXDFEGUAPAI-INIZCTEOSA-N 2 0 324.415 2.601 20 0 DFADRP C[C@H]([NH3+])c1ccc(C(=O)N2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)cc1 ZINC000646379010 431287928 /nfs/dbraw/zinc/28/79/28/431287928.db2.gz MRQOOSZQXBWDQP-QGTPRVQTSA-N 2 0 315.461 2.558 20 0 DFADRP C[NH+](C)CC[C@@H](N)C(=O)N1CCc2c1cccc2-c1ccccc1 ZINC000653159789 431287976 /nfs/dbraw/zinc/28/79/76/431287976.db2.gz NKWKTBPUIOKMIS-GOSISDBHSA-N 2 0 323.440 2.522 20 0 DFADRP Cc1ccccc1CN1CCC[N@@H+](C[C@H]2CC[NH2+][C@@H](C)C2)CC1 ZINC000666619070 431299830 /nfs/dbraw/zinc/29/98/30/431299830.db2.gz UMVGHZXBOPZPNO-OALUTQOASA-N 2 0 315.505 2.891 20 0 DFADRP C[C@@H]1C[C@@H](C[NH+]2CCC(C[NH+]3CCCCCC3)CC2)CC[NH2+]1 ZINC000666620261 431299958 /nfs/dbraw/zinc/29/99/58/431299958.db2.gz WTKKRYAOLBGYEZ-MJGOQNOKSA-N 3 0 307.526 2.963 20 0 DFADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+][C@@H]1CCCN2CCCC[C@@H]12 ZINC000656201588 431305423 /nfs/dbraw/zinc/30/54/23/431305423.db2.gz SCGMUHIEGCMZNI-QGTPRVQTSA-N 2 0 302.466 2.516 20 0 DFADRP CC[N@H+](CCCNC(=O)CC[C@@H]1CCC[NH2+]1)C1CCCCC1 ZINC000653201049 431306147 /nfs/dbraw/zinc/30/61/47/431306147.db2.gz YIWIETUDGYKDOT-INIZCTEOSA-N 2 0 309.498 2.680 20 0 DFADRP CC[N@H+](CCCNC(=O)[C@@H]1CCC[C@@H]([NH3+])C1)C1CCCCC1 ZINC000653200888 431306436 /nfs/dbraw/zinc/30/64/36/431306436.db2.gz TTYCIMUJRTWMKL-HZPDHXFCSA-N 2 0 309.498 2.665 20 0 DFADRP C[NH+](C)[C@H](CNC(=O)C[C@@H]1CCC[C@H]1[NH3+])c1ccc(Cl)cc1 ZINC000653122776 431272363 /nfs/dbraw/zinc/27/23/63/431272363.db2.gz DJFGANATTWZINI-NUEKZKHPSA-N 2 0 323.868 2.576 20 0 DFADRP CC[N@H+](Cc1ccc(C(=O)NCCC2(C[NH3+])CC2)cc1)C(C)C ZINC000653221143 431317620 /nfs/dbraw/zinc/31/76/20/431317620.db2.gz KAYHZTSCKIRGQR-UHFFFAOYSA-N 2 0 317.477 2.776 20 0 DFADRP [NH3+]C[C@H]1CCC[C@H]1[NH2+]Cc1cnn(Cc2ccccc2Cl)c1 ZINC000666744010 431344877 /nfs/dbraw/zinc/34/48/77/431344877.db2.gz PZIFUNIGJOLXNB-RHSMWYFYSA-N 2 0 318.852 2.802 20 0 DFADRP [NH3+]Cc1cccc(NC(=O)C2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000646579501 431345730 /nfs/dbraw/zinc/34/57/30/431345730.db2.gz YGHBDYDRYLZXMN-UHFFFAOYSA-N 2 0 323.440 2.996 20 0 DFADRP CN(CC[NH+]1CCCCC1)C(=O)C(C)(C)[C@H]([NH3+])c1ccccc1 ZINC000653274383 431347310 /nfs/dbraw/zinc/34/73/10/431347310.db2.gz FBTYQKXBDVVBSY-QGZVFWFLSA-N 2 0 317.477 2.657 20 0 DFADRP CC(C)Oc1ccc2[nH+]ccc(N3CC[C@@H](F)[C@H]([NH3+])C3)c2c1 ZINC000663277384 431351691 /nfs/dbraw/zinc/35/16/91/431351691.db2.gz NILJEBBYIOPGBQ-HUUCEWRRSA-N 2 0 303.381 2.898 20 0 DFADRP C[C@H](O)C[N@H+](Cc1ccc(OCC[NH+]2CCCC2)cc1)C1CC1 ZINC000656280234 431352779 /nfs/dbraw/zinc/35/27/79/431352779.db2.gz XJKUSGYIILZPRY-INIZCTEOSA-N 2 0 318.461 2.506 20 0 DFADRP c1cc2c(cccc2C[N@@H+]2CCC[C@H](N3CCOCC3)CC2)[nH]1 ZINC000656281403 431356927 /nfs/dbraw/zinc/35/69/27/431356927.db2.gz VZKYIBMPOANLIR-KRWDZBQOSA-N 2 0 313.445 2.855 20 0 DFADRP FC(F)(F)Oc1ccccc1C[NH2+][C@@H]1CC12CC[NH2+]CC2 ZINC000666950871 431419075 /nfs/dbraw/zinc/41/90/75/431419075.db2.gz OFQBYYITYGIZHY-CYBMUJFWSA-N 2 0 300.324 2.817 20 0 DFADRP Clc1cc(C[NH2+][C@@H]2CC23CC[NH2+]CC3)cc2c1OCCCO2 ZINC000666950798 431419468 /nfs/dbraw/zinc/41/94/68/431419468.db2.gz ILLBTKCUYTWOFP-OAHLLOKOSA-N 2 0 322.836 2.733 20 0 DFADRP C[N@@H+](Cc1cnc2ccccc2n1)C[C@@H]1CCn2ccnc2C1 ZINC000660421046 431421641 /nfs/dbraw/zinc/42/16/41/431421641.db2.gz XLKMCZGPFLWLAS-CQSZACIVSA-N 2 0 307.401 2.521 20 0 DFADRP Clc1cccc(-c2n[nH]cc2C[NH2+][C@@H]2CC23CC[NH2+]CC3)c1 ZINC000666952471 431422785 /nfs/dbraw/zinc/42/27/85/431422785.db2.gz XYMRTTCHXLMJDX-OAHLLOKOSA-N 2 0 316.836 2.962 20 0 DFADRP C[C@@H](CC(=O)Nc1cccc(Cl)c1)[NH2+][C@@H]1CC12CC[NH2+]CC2 ZINC000666953729 431422795 /nfs/dbraw/zinc/42/27/95/431422795.db2.gz GKMPVWGANHSXPD-SWLSCSKDSA-N 2 0 321.852 2.789 20 0 DFADRP Cc1cccc(NC(=O)C[C@H](C)[NH2+][C@H]2CC23CC[NH2+]CC3)c1C ZINC000666953917 431423315 /nfs/dbraw/zinc/42/33/15/431423315.db2.gz KYCNZMNCTAQTCF-YOEHRIQHSA-N 2 0 315.461 2.752 20 0 DFADRP Fc1ccc(Br)c(C[NH2+][C@@H]2CC23CC[NH2+]CC3)c1 ZINC000666952534 431423396 /nfs/dbraw/zinc/42/33/96/431423396.db2.gz ZWJCTKRVENDFLU-CYBMUJFWSA-N 2 0 313.214 2.820 20 0 DFADRP CCc1ccccc1NC(=O)C[C@H](C)[NH2+][C@H]1CC12CC[NH2+]CC2 ZINC000666953610 431423477 /nfs/dbraw/zinc/42/34/77/431423477.db2.gz BWZHQLCMUDAPMG-YOEHRIQHSA-N 2 0 315.461 2.698 20 0 DFADRP COc1cccc(-c2n[nH]cc2C[NH2+]CC2(C)CC[NH2+]CC2)c1 ZINC000666839601 431378179 /nfs/dbraw/zinc/37/81/79/431378179.db2.gz FRWVSKUMSOJROG-UHFFFAOYSA-N 2 0 314.433 2.565 20 0 DFADRP c1ccc(C[N@@H+]2C[C@H]3[C@H](C2)[C@@H]2CC[C@H]3C[NH+]2[C@H]2CCOC2)cc1 ZINC000656407935 431378705 /nfs/dbraw/zinc/37/87/05/431378705.db2.gz VCXJUPNYOCRUJT-KNJMJIDISA-N 2 0 312.457 2.618 20 0 DFADRP Cc1cc[nH+]c(NC[C@H]2CC[N@H+](Cc3cnc(C4CC4)nc3)C2)c1 ZINC000656430732 431379643 /nfs/dbraw/zinc/37/96/43/431379643.db2.gz SXJUJWFOHRWYIG-OAHLLOKOSA-N 2 0 323.444 2.991 20 0 DFADRP CC(CC[NH+]1CCCOC[C@@H]1C)CC[N@@H+]1CCCOC[C@@H]1C ZINC000663362065 431385291 /nfs/dbraw/zinc/38/52/91/431385291.db2.gz VBBREHWQGDEFEO-ROUUACIJSA-N 2 0 312.498 2.624 20 0 DFADRP Cc1ccc(NC(=O)C[C@@H](C)[NH2+][C@H]2CCC[NH2+]CC2)c(C)c1 ZINC000666858086 431386178 /nfs/dbraw/zinc/38/61/78/431386178.db2.gz WIUXPWFRUKZVDW-CVEARBPZSA-N 2 0 303.450 2.752 20 0 DFADRP Cc1cccc(NC(=O)C[C@H](C)[NH2+][C@@H]2CCC[NH2+]CC2)c1C ZINC000666857759 431387271 /nfs/dbraw/zinc/38/72/71/431387271.db2.gz HYPANMJJEHZVKX-GOEBONIOSA-N 2 0 303.450 2.752 20 0 DFADRP c1[nH]nc2c1CCN(Cc1ccc(C[NH+]3CCCCC3)cc1)C2 ZINC000663371662 431389231 /nfs/dbraw/zinc/38/92/31/431389231.db2.gz MMMDQBJCZTZROX-UHFFFAOYSA-N 2 0 310.445 2.954 20 0 DFADRP c1ccc2c(c1)CN(CC[NH2+]C1CCN(c3cc[nH+]cc3)CC1)C2 ZINC000656474068 431400909 /nfs/dbraw/zinc/40/09/09/431400909.db2.gz LFOHRMBCBLPLCM-UHFFFAOYSA-N 2 0 322.456 2.656 20 0 DFADRP C[NH+]1CCC(N2CC[C@H]([NH2+]CCc3cccc(Cl)c3)C2)CC1 ZINC000656499055 431409238 /nfs/dbraw/zinc/40/92/38/431409238.db2.gz GPMLZMWKUZJAQX-KRWDZBQOSA-N 2 0 321.896 2.641 20 0 DFADRP CCOc1cc(C[NH2+][C@@H]2CC[NH2+]C3(CCC3)C2)ccc1OC ZINC000666999487 431440774 /nfs/dbraw/zinc/44/07/74/431440774.db2.gz NKPPCQIOBBEZKJ-OAHLLOKOSA-N 2 0 304.434 2.858 20 0 DFADRP C[C@@H]([NH2+]CC1CC[NH+](Cc2ccccc2)CC1)[C@@H]1CCC[NH2+]C1 ZINC000667006267 431443086 /nfs/dbraw/zinc/44/30/86/431443086.db2.gz XJOFRYAGRCXECP-YLJYHZDGSA-N 3 0 315.505 2.876 20 0 DFADRP CCCc1nc(C)c(C[N@@H+]2CCC[C@@H](N3CCOCC3)CC2)o1 ZINC000660474258 431447464 /nfs/dbraw/zinc/44/74/64/431447464.db2.gz HBNNETDLELCDHK-MRXNPFEDSA-N 2 0 321.465 2.622 20 0 DFADRP CCC1CCC([NH2+]C2CCN(C(=O)CCC[NH2+]C)CC2)CC1 ZINC000663506131 431447526 /nfs/dbraw/zinc/44/75/26/431447526.db2.gz QJRANADAZXQTRE-UHFFFAOYSA-N 2 0 309.498 2.535 20 0 DFADRP C[NH2+]CCCC(=O)N1CCC([NH2+][C@@H](C)CC2CCCC2)CC1 ZINC000663506560 431448276 /nfs/dbraw/zinc/44/82/76/431448276.db2.gz VDEJQBOMJHJIOO-HNNXBMFYSA-N 2 0 309.498 2.535 20 0 DFADRP CCCC[C@@H]1CCC[C@H]1[NH2+]C1CCN(C(=O)CCC[NH2+]C)CC1 ZINC000663506062 431448384 /nfs/dbraw/zinc/44/83/84/431448384.db2.gz OWJFORGECQCIKA-SJLPKXTDSA-N 2 0 323.525 2.926 20 0 DFADRP C[C@H]([NH2+]Cc1cccc(NC(=O)C2CCC2)c1)[C@H]1CCC[NH2+]C1 ZINC000667027792 431449423 /nfs/dbraw/zinc/44/94/23/431449423.db2.gz JMQJVGNGURGHMP-YOEHRIQHSA-N 2 0 315.461 2.903 20 0 DFADRP CC[N@H+](C)C[C@@H](O)CN[C@@H](c1ccc(F)cc1F)C(C)C ZINC000653607321 431456704 /nfs/dbraw/zinc/45/67/04/431456704.db2.gz ZHLACEQYKLBQPK-XJKSGUPXSA-N 2 0 300.393 2.564 20 0 DFADRP CC[NH+](CC)CCCC1CC[NH+](CCCC(=O)N(C)C)CC1 ZINC000653612360 431459666 /nfs/dbraw/zinc/45/96/66/431459666.db2.gz MMECZVBKOLKSIQ-UHFFFAOYSA-N 2 0 311.514 2.689 20 0 DFADRP Cc1cc(C(F)(F)F)cc(NCCN2CCOCC2(C)C)n1 ZINC000663537206 431460844 /nfs/dbraw/zinc/46/08/44/431460844.db2.gz CZKZKVDDGUOLSN-UHFFFAOYSA-N 2 0 317.355 2.932 20 0 DFADRP CO[C@H]1C[C@H]2C[C@H]([NH2+]C[C@@H]3CCC[N@H+](CC4CC4)C3)C[C@H]2C1 ZINC000663463651 431428325 /nfs/dbraw/zinc/42/83/25/431428325.db2.gz AQPBKDOSYUZHBZ-NTZUZEMLSA-N 2 0 306.494 2.902 20 0 DFADRP c1ccc(C2CC2)c(C[NH2+]C2CCC([NH+]3CCNCC3)CC2)c1 ZINC000666978605 431432359 /nfs/dbraw/zinc/43/23/59/431432359.db2.gz YHTZLGRZZJADIF-UHFFFAOYSA-N 2 0 313.489 2.870 20 0 DFADRP COC[C@@H](CC1CCOCC1)[NH2+]C[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000663466044 431432695 /nfs/dbraw/zinc/43/26/95/431432695.db2.gz NIYAZKXSRCSADB-RBUKOAKNSA-N 2 0 324.509 2.530 20 0 DFADRP CCn1nccc1C[NH2+][C@@H](C)c1cccc(OCC[NH+](C)C)c1 ZINC000663467992 431434374 /nfs/dbraw/zinc/43/43/74/431434374.db2.gz QXYWVPKEMJHEGP-HNNXBMFYSA-N 2 0 316.449 2.694 20 0 DFADRP CCc1noc(C2CCC([NH2+][C@@H]3CC[NH2+]C4(CCC4)C3)CC2)n1 ZINC000666995310 431436904 /nfs/dbraw/zinc/43/69/04/431436904.db2.gz JZAVPYNZNDWXTN-YMAMQOFZSA-N 2 0 318.465 2.923 20 0 DFADRP COc1cc(C[N@@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)cc(OC)c1 ZINC000656784325 431519205 /nfs/dbraw/zinc/51/92/05/431519205.db2.gz COFCIYYGUMCZBX-KRWDZBQOSA-N 2 0 318.461 2.915 20 0 DFADRP CC(C)[N@H+](C)C[C@H](O)CN1CC[C@@H](c2cccc(Cl)c2)C1 ZINC000660632483 431521561 /nfs/dbraw/zinc/52/15/61/431521561.db2.gz OORMIFJMQNMAKF-WBVHZDCISA-N 2 0 310.869 2.830 20 0 DFADRP Cc1cccn2c(C[NH+]3CCC([C@H]4CCC[NH2+]C4)CC3)cnc12 ZINC000656785958 431522841 /nfs/dbraw/zinc/52/28/41/431522841.db2.gz OGLIXUPRTKOINE-KRWDZBQOSA-N 2 0 312.461 2.854 20 0 DFADRP Cn1cc(C[NH+]2CCC([C@H]3CCC[NH2+]C3)CC2)c(C(C)(C)C)n1 ZINC000656786182 431522852 /nfs/dbraw/zinc/52/28/52/431522852.db2.gz LWOGODQWOGJCKC-INIZCTEOSA-N 2 0 318.509 2.929 20 0 DFADRP Cc1cccc2ncc(C[NH+]3CCC([C@@H]4CCC[NH2+]C4)CC3)n21 ZINC000656786084 431523403 /nfs/dbraw/zinc/52/34/03/431523403.db2.gz KILQYBRYXMJMPO-QGZVFWFLSA-N 2 0 312.461 2.854 20 0 DFADRP c1cc(C[NH+]2CCN([C@@H]3CC[NH2+]C3)CC2)cc(C2CCCC2)c1 ZINC000656786599 431523497 /nfs/dbraw/zinc/52/34/97/431523497.db2.gz NZJYOWQKQKOAOW-HXUWFJFHSA-N 2 0 313.489 2.824 20 0 DFADRP Brc1cc2c(s1)CC[N@H+](CC1CC[NH2+]CC1)C2 ZINC000656792704 431525323 /nfs/dbraw/zinc/52/53/23/431525323.db2.gz WGALYRLGITVRBM-UHFFFAOYSA-N 2 0 315.280 2.868 20 0 DFADRP C[C@@H]1C[C@H](NC[C@@H]2C[NH+](C)C[C@H]2c2ccccc2)C[N@@H+]1C1CC1 ZINC000647248767 431527167 /nfs/dbraw/zinc/52/71/67/431527167.db2.gz BQRMRHRQAUTDKT-LBKNJMOBSA-N 2 0 313.489 2.547 20 0 DFADRP C[N@@H+]1CC[C@]2(C1)CCC[NH+](CCC(=O)Nc1ccc(F)cc1)C2 ZINC000660655519 431530990 /nfs/dbraw/zinc/53/09/90/431530990.db2.gz ORYVXUHYHICGBZ-SFHVURJKSA-N 2 0 319.424 2.572 20 0 DFADRP CC(C)[N@H+](C)C[C@H](O)C[NH+]1CCC[C@H]1CCc1ccccc1 ZINC000656701536 431487295 /nfs/dbraw/zinc/48/72/95/431487295.db2.gz XCWPJXFHTGEXJX-OALUTQOASA-N 2 0 304.478 2.785 20 0 DFADRP C[C@@H]1COCC[N@@H+]1C1CCN(CCc2c(F)cccc2F)CC1 ZINC000653690217 431491838 /nfs/dbraw/zinc/49/18/38/431491838.db2.gz DCXFDAYZKICPAD-CQSZACIVSA-N 2 0 324.415 2.692 20 0 DFADRP FC1(F)CCC([NH2+]C2CC[NH+](C[C@@H]3CCOC3)CC2)CC1 ZINC000647184495 431497605 /nfs/dbraw/zinc/49/76/05/431497605.db2.gz KJJKCDYQMYAXLY-ZDUSSCGKSA-N 2 0 302.409 2.655 20 0 DFADRP OC[C@H](CC1CC1)[NH2+][C@@H]1CCN(Cc2ccccc2)C2(CC2)C1 ZINC000647196476 431505662 /nfs/dbraw/zinc/50/56/62/431505662.db2.gz AFKVAZQAYRLFBS-MOPGFXCFSA-N 2 0 314.473 2.934 20 0 DFADRP C[N@@H+]1C[C@@H](C[NH2+][C@@H]2[C@@H]3CCO[C@H]3C2(C)C)[C@H](c2ccccc2)C1 ZINC000647344235 431558056 /nfs/dbraw/zinc/55/80/56/431558056.db2.gz MHFOWKJLGKPQSH-ICBNADEASA-N 2 0 314.473 2.735 20 0 DFADRP CC[N@@H+]1CC[C@@H](NC[C@@H]2C[NH+](C)C[C@H]2c2ccccc2)[C@@H](C)C1 ZINC000647343969 431559007 /nfs/dbraw/zinc/55/90/07/431559007.db2.gz GTFJNXSCJSSPBN-OJAHFUOMSA-N 2 0 315.505 2.652 20 0 DFADRP CO[C@@H]1[C@@H](C)[C@H]([NH2+]C[C@@H]2C[N@H+](C)C[C@H]2c2ccccc2)C1(C)C ZINC000647344147 431559211 /nfs/dbraw/zinc/55/92/11/431559211.db2.gz KBJLKYWZOLXXGE-YCVVXREPSA-N 2 0 316.489 2.981 20 0 DFADRP C[N@@H+]1C[C@@H](C[NH2+][C@H]2[C@@H]3CCO[C@@H]3C2(C)C)[C@H](c2ccccc2)C1 ZINC000647344233 431560103 /nfs/dbraw/zinc/56/01/03/431560103.db2.gz MHFOWKJLGKPQSH-BCYZHJNNSA-N 2 0 314.473 2.735 20 0 DFADRP COC1CCC([NH2+]C[C@@H]2C[N@H+](C)C[C@H]2c2ccccc2)CC1 ZINC000647344272 431560413 /nfs/dbraw/zinc/56/04/13/431560413.db2.gz NGHHYJFCNXYMNU-UGXKVIGPSA-N 2 0 302.462 2.879 20 0 DFADRP Cc1ccccc1NC(=O)CC[NH+]1CCC[C@]2(CC[N@@H+](C)C2)C1 ZINC000660659623 431537258 /nfs/dbraw/zinc/53/72/58/431537258.db2.gz POAOEINVYSLWHN-LJQANCHMSA-N 2 0 315.461 2.741 20 0 DFADRP Cc1cnn(CCCCC[NH+]2CCC[C@]3(CC[N@@H+](C)C3)C2)c1 ZINC000660657763 431537334 /nfs/dbraw/zinc/53/73/34/431537334.db2.gz AFOLUUOZUYICAN-GOSISDBHSA-N 2 0 304.482 2.780 20 0 DFADRP CC(C)C[C@@H]([NH2+]CCN1CC[N@H+](C)C(C)(C)C1)c1ccncc1 ZINC000647302530 431545026 /nfs/dbraw/zinc/54/50/26/431545026.db2.gz DJWYSEYXNRPPRD-GOSISDBHSA-N 2 0 318.509 2.784 20 0 DFADRP O[C@H]1CCC[C@@H](C[NH+]2CCC([NH2+]Cc3ccccc3)CC2)C1 ZINC000660675261 431545963 /nfs/dbraw/zinc/54/59/63/431545963.db2.gz HAXWWUYPYMKGDH-MJGOQNOKSA-N 2 0 302.462 2.792 20 0 DFADRP Cc1cc(CO)cc(N[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)n1 ZINC000663806470 431549841 /nfs/dbraw/zinc/54/98/41/431549841.db2.gz ZTSGLIOXMMTRDR-KSSFIOAISA-N 2 0 311.429 2.815 20 0 DFADRP C[C@H]1C[C@H]([NH2+]CCN2CC[N@H+](C)C(C)(C)C2)c2ccccc21 ZINC000290478852 280010114 /nfs/dbraw/zinc/01/01/14/280010114.db2.gz XHZOJTKNXGSNGP-YJBOKZPZSA-N 2 0 301.478 2.851 20 0 DFADRP CC[C@H]1CCCC[N@@H+]1CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000177660131 288195715 /nfs/dbraw/zinc/19/57/15/288195715.db2.gz JNARHDWAKCZWKI-ROUUACIJSA-N 2 0 317.477 2.670 20 0 DFADRP CC[C@H]1CCCC[N@@H+]1CCNC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC000360217535 288197294 /nfs/dbraw/zinc/19/72/94/288197294.db2.gz GPVKWAYMGNHPRH-SJORKVTESA-N 2 0 309.498 2.632 20 0 DFADRP CC(C)[C@H](C(=O)NC[C@@H](C)C[NH+]1CCCCC1)[NH+]1CCCCC1 ZINC000354571802 280172264 /nfs/dbraw/zinc/17/22/64/280172264.db2.gz GDWUZSWKNJZURP-QZTJIDSGSA-N 2 0 323.525 2.735 20 0 DFADRP CC(C)c1nc(C[N@@H+]2CCC[C@H]([C@@H]3C[C@@H]([NH3+])CCO3)C2)cs1 ZINC000650706574 431653102 /nfs/dbraw/zinc/65/31/02/431653102.db2.gz NPSPGDQCNXJTRW-DZKIICNBSA-N 2 0 323.506 2.985 20 0 DFADRP Cc1cc(C[N@@H+]2CCC[C@H]([C@H]3C[C@@H]([NH3+])CCO3)C2)ccc1F ZINC000650707083 431653929 /nfs/dbraw/zinc/65/39/29/431653929.db2.gz YDBQHQPLNPAWRU-XYJFISCASA-N 2 0 306.425 2.852 20 0 DFADRP Cc1ccc(F)c(C[N@@H+]2CCC[C@H]([C@H]3C[C@@H]([NH3+])CCO3)C2)c1 ZINC000650706668 431655157 /nfs/dbraw/zinc/65/51/57/431655157.db2.gz PYLWVXGCRBWWFC-QILLFSRXSA-N 2 0 306.425 2.852 20 0 DFADRP CC(C)n1ncc2cc(C[N@@H+]3CCC[C@@H](C)[C@H]3CC[NH3+])cnc21 ZINC000650710977 431656864 /nfs/dbraw/zinc/65/68/64/431656864.db2.gz DWOPDHQEHVIEHM-RHSMWYFYSA-N 2 0 315.465 2.962 20 0 DFADRP CC(C)N(C)c1ccc(C[N@@H+]2CCC[C@H](C)[C@@H]2CC[NH3+])cn1 ZINC000650712057 431659285 /nfs/dbraw/zinc/65/92/85/431659285.db2.gz PCGWHCSVJRFKPU-RDJZCZTQSA-N 2 0 304.482 2.876 20 0 DFADRP C[C@H]1C[C@H]([NH2+]CCC2(C[NH3+])CC2)CCN1Cc1ccccc1 ZINC000650713435 431659888 /nfs/dbraw/zinc/65/98/88/431659888.db2.gz SLGJSAPPQBMTKF-FUHWJXTLSA-N 2 0 301.478 2.758 20 0 DFADRP C[C@H]1CCC[N@H+](Cc2ccc3c(c2)sc(=O)n3C)[C@H]1CC[NH3+] ZINC000650711840 431660189 /nfs/dbraw/zinc/66/01/89/431660189.db2.gz FZHOYABNYJEUIH-JSGCOSHPSA-N 2 0 319.474 2.549 20 0 DFADRP CC[C@H]1C[N@H+](Cc2cccc(OCCCOC)c2)CC[C@@H]1[NH3+] ZINC000647498851 431609243 /nfs/dbraw/zinc/60/92/43/431609243.db2.gz RYFLDMXXMMFVHP-WMZOPIPTSA-N 2 0 306.450 2.661 20 0 DFADRP C[N@@H+](Cc1ccccc1)CC1CC[NH+](Cc2ccc(N)nc2)CC1 ZINC000647515401 431612685 /nfs/dbraw/zinc/61/26/85/431612685.db2.gz CFLFVAZPPNCMBV-UHFFFAOYSA-N 2 0 324.472 2.838 20 0 DFADRP C[NH2+]C[C@@H]1C[C@H](F)CN1CC(C)(C)C[N@H+](C)Cc1ccccc1 ZINC000647539925 431621341 /nfs/dbraw/zinc/62/13/41/431621341.db2.gz NNTOOPLSSIZKCW-ROUUACIJSA-N 2 0 321.484 2.776 20 0 DFADRP [NH3+]CCC[N@@H+](Cc1ccccc1-n1cncn1)CC1CCCC1 ZINC000647541402 431621388 /nfs/dbraw/zinc/62/13/88/431621388.db2.gz UBHZKTSLMNTHNT-UHFFFAOYSA-N 2 0 313.449 2.608 20 0 DFADRP c1ccc2c(c1)OCC[C@@H]2C[NH+]1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000647542087 431622059 /nfs/dbraw/zinc/62/20/59/431622059.db2.gz UFTKGQJPLQDOJB-IAGOWNOFSA-N 2 0 300.446 2.874 20 0 DFADRP COCc1cnc(C[N@@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)s1 ZINC000647544229 431624007 /nfs/dbraw/zinc/62/40/07/431624007.db2.gz YKKGMRYTXAMPEC-KBPBESRZSA-N 2 0 309.479 2.501 20 0 DFADRP c1cc2c(c(C[N@@H+]3CCC[C@@H]([C@@H]4CCC[NH2+]C4)C3)c1)OCO2 ZINC000647542943 431624062 /nfs/dbraw/zinc/62/40/62/431624062.db2.gz FAVXDTGZRLBEBL-HUUCEWRRSA-N 2 0 302.418 2.627 20 0 DFADRP CCOc1ccc(C[N@@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)nc1 ZINC000647543421 431624898 /nfs/dbraw/zinc/62/48/98/431624898.db2.gz NDZHTBXXEZKQLQ-CVEARBPZSA-N 2 0 303.450 2.692 20 0 DFADRP Cc1cccn2c(C[N@@H+]3CCC[C@H]([C@@H]4CCC[NH2+]C4)C3)cnc12 ZINC000647543408 431625490 /nfs/dbraw/zinc/62/54/90/431625490.db2.gz MUOPTNOKKDEAHL-SJORKVTESA-N 2 0 312.461 2.854 20 0 DFADRP COc1ccc(OC)c(C[N@@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)c1 ZINC000647543308 431625790 /nfs/dbraw/zinc/62/57/90/431625790.db2.gz KXFWDWZRHBMNQK-JKSUJKDBSA-N 2 0 318.461 2.915 20 0 DFADRP CCN(C)c1ccc(C[N@@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)cn1 ZINC000647543314 431625886 /nfs/dbraw/zinc/62/58/86/431625886.db2.gz KXMJTOTVCOIHPM-QZTJIDSGSA-N 2 0 316.493 2.749 20 0 DFADRP CCOc1cc(C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)ccc1OC ZINC000647548867 431627711 /nfs/dbraw/zinc/62/77/11/431627711.db2.gz YQHJCAIHBHFBAL-OWCLPIDISA-N 2 0 304.434 2.572 20 0 DFADRP Cc1cc(C)n(-c2ccccc2C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)n1 ZINC000647548569 431627878 /nfs/dbraw/zinc/62/78/78/431627878.db2.gz IUSHCZOQVTYJIS-BHIYHBOVSA-N 2 0 324.472 2.967 20 0 DFADRP Cc1cccc2nc(CC[NH2+][C@@H]3CCC[C@H]3[C@H]3CCC[NH2+]3)cn21 ZINC000647554267 431631065 /nfs/dbraw/zinc/63/10/65/431631065.db2.gz VOTNTKJLOSGXSU-KZNAEPCWSA-N 2 0 312.461 2.696 20 0 DFADRP C[NH2+]Cc1ccccc1C[NH2+]Cc1ccc(OCCOC)cc1 ZINC000650719460 431661734 /nfs/dbraw/zinc/66/17/34/431661734.db2.gz QSWGXSKPNGQITR-UHFFFAOYSA-N 2 0 314.429 2.721 20 0 DFADRP COC[C@@H](C)Oc1ccc(C[NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000657308468 431665064 /nfs/dbraw/zinc/66/50/64/431665064.db2.gz ZRQSEFGLEIGFNT-NVXWUHKLSA-N 2 0 318.461 2.674 20 0 DFADRP CCOc1ccc(C[NH2+]CCCC[NH+]2CCN(C)CC2)c(C)c1 ZINC000657308118 431667226 /nfs/dbraw/zinc/66/72/26/431667226.db2.gz NTXLHYMCSFRQDF-UHFFFAOYSA-N 2 0 319.493 2.511 20 0 DFADRP C([NH+]1C[C@@H]2CCCC[C@@H]21)C1(C[N@@H+]2C[C@@H]3CCCC[C@@H]32)COC1 ZINC000660933374 431668715 /nfs/dbraw/zinc/66/87/15/431668715.db2.gz PVFCXFXBRGGDKV-XSLAGTTESA-N 2 0 304.478 2.752 20 0 DFADRP CC[N@@H+]1CC[C@@H](C[NH2+]Cc2ccc(O[C@@H](C)COC)cc2)C1 ZINC000657314824 431671529 /nfs/dbraw/zinc/67/15/29/431671529.db2.gz AZDRKGREBIHNID-RDJZCZTQSA-N 2 0 306.450 2.532 20 0 DFADRP C[C@H]1CCCC[C@H]1OCC[NH2+]Cc1ccnn1-c1cc[nH+]cc1 ZINC000657317322 431672952 /nfs/dbraw/zinc/67/29/52/431672952.db2.gz CLQAWZJLTCFABY-MAUKXSAKSA-N 2 0 314.433 2.952 20 0 DFADRP C[C@H]([NH3+])[C@@H]1COCC[C@H]1[NH2+]CC1(c2ccccc2F)CCC1 ZINC000650740748 431674438 /nfs/dbraw/zinc/67/44/38/431674438.db2.gz PZJUBQSHAOQYCD-GRDNDAEWSA-N 2 0 306.425 2.589 20 0 DFADRP Cc1[nH+]ccc(NCC2CC[NH+](C3CCOCC3)CC2)c1Cl ZINC000664153710 431674839 /nfs/dbraw/zinc/67/48/39/431674839.db2.gz YTSLZBUFXMJZIG-UHFFFAOYSA-N 2 0 323.868 2.768 20 0 DFADRP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCC1(C[NH3+])CC1 ZINC000650744375 431674972 /nfs/dbraw/zinc/67/49/72/431674972.db2.gz MQUWYSHFEIFFAF-FUHWJXTLSA-N 3 0 301.478 2.616 20 0 DFADRP C[C@@H]([NH2+]CCC1(C[NH3+])CC1)c1ccc(-n2cncn2)cc1Cl ZINC000650745911 431677312 /nfs/dbraw/zinc/67/73/12/431677312.db2.gz QUFVGNHSLJATMO-GFCCVEGCSA-N 2 0 319.840 2.700 20 0 DFADRP CCCOc1ccc(CNC[C@H](O)C[NH+]2CCCCC2)c(C)c1 ZINC000657325812 431677753 /nfs/dbraw/zinc/67/77/53/431677753.db2.gz LJIPYEIKTUHUEE-SFHVURJKSA-N 2 0 320.477 2.720 20 0 DFADRP COC[C@@H](C)Oc1ccc(C[NH2+]C[C@H]2CC[N@@H+](C(C)C)C2)cc1 ZINC000657336137 431681936 /nfs/dbraw/zinc/68/19/36/431681936.db2.gz XJIRINLTWWDHCZ-SJLPKXTDSA-N 2 0 320.477 2.920 20 0 DFADRP CC(C)[N@@H+]1CC[C@H](C[NH2+]Cc2ccc(O[C@@H]3CCOC3)cc2)C1 ZINC000657336250 431682893 /nfs/dbraw/zinc/68/28/93/431682893.db2.gz ZGZGZGPVFUMTTP-IEBWSBKVSA-N 2 0 318.461 2.674 20 0 DFADRP c1ccc(CCOCCC[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000647786553 431684157 /nfs/dbraw/zinc/68/41/57/431684157.db2.gz RKPPOODELFUYQD-IPMKNSEASA-N 2 0 302.462 2.614 20 0 DFADRP Cc1nn(-c2ccccc2)c(C)c1C[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000647786126 431684214 /nfs/dbraw/zinc/68/42/14/431684214.db2.gz IQHIPVUEHROIPP-FGTMMUONSA-N 2 0 324.472 2.967 20 0 DFADRP COc1ccc(C[C@@H](C)[NH2+]CCC2CC[NH2+]CC2)cc1OC ZINC000650763724 431684419 /nfs/dbraw/zinc/68/44/19/431684419.db2.gz HWKTZPYILXPHJR-CQSZACIVSA-N 2 0 306.450 2.614 20 0 DFADRP [NH3+]CC1CCC([NH2+]CCc2ccc3c(c2)OC(F)(F)O3)CC1 ZINC000650761147 431684550 /nfs/dbraw/zinc/68/45/50/431684550.db2.gz SVJGLDYCHIKIDH-UHFFFAOYSA-N 2 0 312.360 2.658 20 0 DFADRP C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)C1 ZINC000647785829 431684762 /nfs/dbraw/zinc/68/47/62/431684762.db2.gz FOLVOBORKSCCOO-FLXSYLCISA-N 3 0 307.526 2.721 20 0 DFADRP C[C@@H]1C[C@H]([NH2+]CCC2CC[NH2+]CC2)CN1Cc1ccccc1 ZINC000650763784 431684763 /nfs/dbraw/zinc/68/47/63/431684763.db2.gz JLRFEZQIDNTGSV-APWZRJJASA-N 2 0 301.478 2.629 20 0 DFADRP CCc1ccccc1NC(=O)C[C@@H](C)[NH2+]CCC1CC[NH2+]CC1 ZINC000650763715 431684855 /nfs/dbraw/zinc/68/48/55/431684855.db2.gz HTCXGFBEWISMTL-OAHLLOKOSA-N 2 0 317.477 2.945 20 0 DFADRP C[C@@H](CC(=O)Nc1ccc(F)cc1)[NH2+]CCC1CC[NH2+]CC1 ZINC000650763548 431684964 /nfs/dbraw/zinc/68/49/64/431684964.db2.gz DFQMMNSRDQSLDA-ZDUSSCGKSA-N 2 0 307.413 2.522 20 0 DFADRP c1csc([C@H](C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)N2CCCC2)c1 ZINC000647786082 431685718 /nfs/dbraw/zinc/68/57/18/431685718.db2.gz HSEOIRLRDBFJDL-HZMVEIRTSA-N 2 0 319.518 2.863 20 0 DFADRP CC[C@H](C[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1)Oc1cccc(F)c1 ZINC000647788289 431686249 /nfs/dbraw/zinc/68/62/49/431686249.db2.gz HBIPPUFBHLQHHN-XJNFMUPTSA-N 2 0 306.425 2.961 20 0 DFADRP Brc1ccccc1CC[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000647788841 431686673 /nfs/dbraw/zinc/68/66/73/431686673.db2.gz SJJLSMCXGULWOR-SOUVJXGZSA-N 2 0 323.278 2.969 20 0 DFADRP C[C@H]([NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)c1cccc(-n2ccnc2)c1 ZINC000647788275 431686920 /nfs/dbraw/zinc/68/69/20/431686920.db2.gz GWOAVZQRTRCKIG-XOYOTBSWSA-N 2 0 310.445 2.911 20 0 DFADRP FC(F)(F)c1csc(CC[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)n1 ZINC000647788732 431687502 /nfs/dbraw/zinc/68/75/02/431687502.db2.gz PNANRMQHTVTTLN-HBNTYKKESA-N 2 0 319.396 2.682 20 0 DFADRP c1coc([C@H](C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)N2CCCCC2)c1 ZINC000647792351 431687616 /nfs/dbraw/zinc/68/76/16/431687616.db2.gz ZSKIZJFZURWESY-XDNAFOTISA-N 2 0 317.477 2.784 20 0 DFADRP Cc1ccn(-c2ccccc2C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)n1 ZINC000647793170 431689050 /nfs/dbraw/zinc/68/90/50/431689050.db2.gz ODZLDPHOAJTWPE-KBAYOESNSA-N 2 0 310.445 2.658 20 0 DFADRP CCCCOc1ncccc1C[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000647793165 431689353 /nfs/dbraw/zinc/68/93/53/431689353.db2.gz NEWIRZOAVAXQGW-DJIMGWMZSA-N 2 0 303.450 2.738 20 0 DFADRP CC[C@H]([NH2+]CCC1CC[NH2+]CC1)c1ccc2c(c1)OCCO2 ZINC000650764398 431689632 /nfs/dbraw/zinc/68/96/32/431689632.db2.gz XOBGCHVCFATTJB-INIZCTEOSA-N 2 0 304.434 2.888 20 0 DFADRP c1cc(OC2CCCC2)ncc1C[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000647793205 431689691 /nfs/dbraw/zinc/68/96/91/431689691.db2.gz PKCVEIQGGWKRBO-GVDBMIGSSA-N 2 0 315.461 2.881 20 0 DFADRP CCN(CC)[C@H](C[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1)c1ccco1 ZINC000647793360 431690370 /nfs/dbraw/zinc/69/03/70/431690370.db2.gz VHRSLBPPMXWEKE-QBPKDAKJSA-N 2 0 305.466 2.640 20 0 DFADRP CO[C@H](c1ccccc1F)[C@H](C)[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000647794308 431690431 /nfs/dbraw/zinc/69/04/31/431690431.db2.gz XPJRBBWXJDMEMJ-IBTNMTNLSA-N 2 0 306.425 2.879 20 0 DFADRP Fc1ccccc1N1CC[C@H](C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)C1 ZINC000647798809 431691783 /nfs/dbraw/zinc/69/17/83/431691783.db2.gz XQTGOYRMJVSKOK-WCXIOVBPSA-N 2 0 317.452 2.630 20 0 DFADRP C[NH+]1CCC(CC[NH2+]Cc2ccc(O[C@H]3CCOC3)cc2)CC1 ZINC000657348543 431692537 /nfs/dbraw/zinc/69/25/37/431692537.db2.gz ZMFHYUIEJDGBMX-IBGZPJMESA-N 2 0 318.461 2.676 20 0 DFADRP COCCCOc1ccc(C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000647797121 431692570 /nfs/dbraw/zinc/69/25/70/431692570.db2.gz ZIWUSTHNYVFMKL-RCCFBDPRSA-N 2 0 318.461 2.580 20 0 DFADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]CC[C@H]1CSc2ccccc2O1 ZINC000647801465 431694746 /nfs/dbraw/zinc/69/47/46/431694746.db2.gz WKEFGJDUSJIMHE-QLFBSQMISA-N 2 0 306.475 2.908 20 0 DFADRP CCOc1ccccc1OCC[N@H+](C1CC1)C1CC[NH2+]CC1 ZINC000647814827 431696919 /nfs/dbraw/zinc/69/69/19/431696919.db2.gz HRSFXWBNWYJGSS-UHFFFAOYSA-N 2 0 304.434 2.681 20 0 DFADRP CC[C@@H]1CCCC[N@@H+]1CCNCc1ccnn1-c1cc[nH+]cc1 ZINC000657359049 431701398 /nfs/dbraw/zinc/70/13/98/431701398.db2.gz QDZKCRWQDPELSE-MRXNPFEDSA-N 2 0 313.449 2.621 20 0 DFADRP OCC[C@H](C[NH2+]Cc1ccnn1-c1cc[nH+]cc1)c1ccccc1 ZINC000657373476 431709094 /nfs/dbraw/zinc/70/90/94/431709094.db2.gz WZTGNLRUGXSJDW-QGZVFWFLSA-N 2 0 322.412 2.523 20 0 DFADRP C[C@H]([NH3+])[C@H]1CN(CCCOc2ccc3ccccc3c2)CCO1 ZINC000647863792 431712336 /nfs/dbraw/zinc/71/23/36/431712336.db2.gz KCZBIKYZKGMOQW-HNAYVOBHSA-N 2 0 314.429 2.657 20 0 DFADRP C[C@H](C[NH2+]C1CC[NH+](CC(C)(C)O)CC1)Cc1cccs1 ZINC000647909330 431723886 /nfs/dbraw/zinc/72/38/86/431723886.db2.gz CUVMNXZSBIBJSZ-AWEZNQCLSA-N 2 0 310.507 2.752 20 0 DFADRP CC[C@H]1C[C@H]([NH2+]Cc2ccc(OC3CC[NH+](C)CC3)cc2)CO1 ZINC000657460523 431765065 /nfs/dbraw/zinc/76/50/65/431765065.db2.gz ZRDYZJGKYBSVOC-IRXDYDNUSA-N 2 0 318.461 2.817 20 0 DFADRP O=C(CC[N@@H+]1CC[C@]2(C1)CCC[NH2+]C2)Nc1ccccc1Cl ZINC000647957058 431748359 /nfs/dbraw/zinc/74/83/59/431748359.db2.gz KCBNIDFQLNXGAB-QGZVFWFLSA-N 2 0 321.852 2.744 20 0 DFADRP CC[NH+](CC)CCOCC[NH2+]Cc1ccc(F)c(F)c1F ZINC000657433149 431748837 /nfs/dbraw/zinc/74/88/37/431748837.db2.gz OMFNQVIQSUGQAA-UHFFFAOYSA-N 2 0 304.356 2.552 20 0 DFADRP C[C@@H](O)[C@](C)(C[NH2+]Cc1cnc2n1CCC2)Cc1ccccc1 ZINC000657447628 431756600 /nfs/dbraw/zinc/75/66/00/431756600.db2.gz OWSFZRQZEUWUHU-BEFAXECRSA-N 2 0 313.445 2.549 20 0 DFADRP Cn1ncc(C2CC2)c1CNC[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000657452707 431760151 /nfs/dbraw/zinc/76/01/51/431760151.db2.gz IKTBHCYNJPHAFV-KRWDZBQOSA-N 2 0 324.472 2.909 20 0 DFADRP C[C@H](C(=O)NC1CCCCC1)[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647976907 431761822 /nfs/dbraw/zinc/76/18/22/431761822.db2.gz VYDFFCFDQHXQQX-IKGGRYGDSA-N 2 0 321.509 2.535 20 0 DFADRP CC(=O)Nc1cccc(C[N@@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)c1 ZINC000647978266 431762241 /nfs/dbraw/zinc/76/22/41/431762241.db2.gz PBRLNOJYPOGPRK-ROUUACIJSA-N 2 0 315.461 2.857 20 0 DFADRP C[C@H](c1nc(C2CC2)no1)[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647975505 431762548 /nfs/dbraw/zinc/76/25/48/431762548.db2.gz BEEIFODCEWNYPY-YUELXQCFSA-N 2 0 304.438 2.720 20 0 DFADRP Cc1ccccc1NC(=O)C[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647975189 431762982 /nfs/dbraw/zinc/76/29/82/431762982.db2.gz PCHPANYCNQDHKK-SJORKVTESA-N 2 0 315.461 2.645 20 0 DFADRP COc1ccc(C2([NH2+]CCC3CC[NH2+]CC3)CCOCC2)cc1 ZINC000647892345 431720674 /nfs/dbraw/zinc/72/06/74/431720674.db2.gz WYLIZBQYPZDHNB-UHFFFAOYSA-N 2 0 318.461 2.680 20 0 DFADRP COc1ccc(OCCC[N@@H+]2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)cc1 ZINC000647901737 431723404 /nfs/dbraw/zinc/72/34/04/431723404.db2.gz UOUBRQMOKABDBB-LPHOPBHVSA-N 2 0 318.461 2.928 20 0 DFADRP CCCn1nccc1CNC[C@@H]1C[N@H+](C)C[C@H]1c1ccccc1 ZINC000657499385 431788733 /nfs/dbraw/zinc/78/87/33/431788733.db2.gz DLWROSZGECSOOA-MJGOQNOKSA-N 2 0 312.461 2.728 20 0 DFADRP CC[C@H](C(=O)N[C@@H](C[NH+](C)C)c1ccccc1)[NH+](CC)CC ZINC000274166415 280683011 /nfs/dbraw/zinc/68/30/11/280683011.db2.gz NACHQDDISFEPJA-DLBZAZTESA-N 2 0 305.466 2.526 20 0 DFADRP C([NH2+][C@H]1CCOC2(CCC2)C1)C1CC[NH+](C2CCOCC2)CC1 ZINC000657537245 431800244 /nfs/dbraw/zinc/80/02/44/431800244.db2.gz FCDHLVVIOJSJFC-KRWDZBQOSA-N 2 0 322.493 2.569 20 0 DFADRP Fc1cccc(F)c1C[NH2+]CC1CC[NH+](C2CCOCC2)CC1 ZINC000657536214 431800831 /nfs/dbraw/zinc/80/08/31/431800831.db2.gz HICYNIXVMZFEFW-UHFFFAOYSA-N 2 0 324.415 2.945 20 0 DFADRP C[C@H]1CC[C@H]([NH2+]CC2CC[NH+](C3CCOCC3)CC2)CS1 ZINC000657537336 431801043 /nfs/dbraw/zinc/80/10/43/431801043.db2.gz HYJLTQCNIATHEO-HOCLYGCPSA-N 2 0 312.523 2.751 20 0 DFADRP C[NH+](C)CCOc1ccc(C[N@@H+]2CCOC[C@@H]2C2CCC2)cc1 ZINC000648067288 431806386 /nfs/dbraw/zinc/80/63/86/431806386.db2.gz XSGZNLNOBZAZHS-LJQANCHMSA-N 2 0 318.461 2.628 20 0 DFADRP C[NH+]1CCC2(CC1)C[N@H+](Cc1cccc(C3CC3)c1)CCO2 ZINC000648072206 431808215 /nfs/dbraw/zinc/80/82/15/431808215.db2.gz QZXOZMYSFVCZGA-UHFFFAOYSA-N 2 0 300.446 2.861 20 0 DFADRP Cc1cc(C)c(C[N@@H+]2CCOC3(CC[NH+](C)CC3)C2)cc1C ZINC000648071508 431809117 /nfs/dbraw/zinc/80/91/17/431809117.db2.gz GAMMCRJMNDHIQQ-UHFFFAOYSA-N 2 0 302.462 2.908 20 0 DFADRP C[C@H](CC[N@@H+]1CCOC2(CC[NH+](C)CC2)C1)c1ccccc1 ZINC000648072218 431809373 /nfs/dbraw/zinc/80/93/73/431809373.db2.gz RMGPTQHCUUEOGP-QGZVFWFLSA-N 2 0 302.462 2.977 20 0 DFADRP C([C@H]1CC[NH2+]C1)[N@@H+]1CCC[C@H](c2nc3c(s2)CCCC3)C1 ZINC000647990412 431766222 /nfs/dbraw/zinc/76/62/22/431766222.db2.gz YSTWVRFDRYMQKY-KBPBESRZSA-N 2 0 305.491 2.811 20 0 DFADRP Cc1cccc2c1OC[C@H]([NH2+]Cc1ccnn1-c1cc[nH+]cc1)C2 ZINC000657469866 431768124 /nfs/dbraw/zinc/76/81/24/431768124.db2.gz KVHWQHLODAYLJP-MRXNPFEDSA-N 2 0 320.396 2.669 20 0 DFADRP CN1CC[C@@H]([NH2+]CCCC2CC[NH2+]CC2)[C@@H]1c1ccccc1 ZINC000647992636 431770227 /nfs/dbraw/zinc/77/02/27/431770227.db2.gz VVBLYSISBMXMGX-MOPGFXCFSA-N 2 0 301.478 2.801 20 0 DFADRP CC(C)CC[NH+]1CCC(C[NH2+]Cc2cnc3ccnn3c2)CC1 ZINC000648019548 431785425 /nfs/dbraw/zinc/78/54/25/431785425.db2.gz GSDMYLPKNOOCQQ-UHFFFAOYSA-N 2 0 315.465 2.577 20 0 DFADRP CCCC[N@H+](C)C[C@H](C)NC(=O)[C@@H]([NH3+])c1cccc(Cl)c1 ZINC000648153962 431826893 /nfs/dbraw/zinc/82/68/93/431826893.db2.gz KQZRKYJKPWBJLD-WFASDCNBSA-N 2 0 311.857 2.576 20 0 DFADRP C[C@H](COc1c(F)cccc1F)[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000657629085 431828018 /nfs/dbraw/zinc/82/80/18/431828018.db2.gz ZTOHCZUSFCHDIV-HZSPNIEDSA-N 2 0 310.388 2.949 20 0 DFADRP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+]C[C@H]1CCC[C@@H](C)O1 ZINC000657662545 431834130 /nfs/dbraw/zinc/83/41/30/431834130.db2.gz AOYVCACFROEBFM-CXAGYDPISA-N 2 0 300.406 2.623 20 0 DFADRP Cc1ccc([C@@H](O)C[NH+]2CCC(C[NH+]3CCCC3)CC2)cc1 ZINC000171138696 280951335 /nfs/dbraw/zinc/95/13/35/280951335.db2.gz OQELIEAFFGHBFS-IBGZPJMESA-N 2 0 302.462 2.836 20 0 DFADRP Cc1ccccc1[C@@H](C)[NH2+][C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000370638792 281356430 /nfs/dbraw/zinc/35/64/30/281356430.db2.gz ZHDXKWMPDVGZJV-SJORKVTESA-N 2 0 301.478 2.814 20 0 DFADRP CCC(C)(C)[NH2+][C@H](C)C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000274797526 282025637 /nfs/dbraw/zinc/02/56/37/282025637.db2.gz MNCZHNHWYFFKIA-DJIMGWMZSA-N 2 0 317.477 2.715 20 0 DFADRP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@@H+]2CCCCOC(C)(C)C ZINC000354729265 289333908 /nfs/dbraw/zinc/33/39/08/289333908.db2.gz ISIYFYBDEOZZNP-IKGGRYGDSA-N 2 0 312.498 2.765 20 0 DFADRP C[C@H](C(=O)NC1CCCCC1)[N@@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000374173161 289347761 /nfs/dbraw/zinc/34/77/61/289347761.db2.gz HCKASYPORZFIPG-MRXNPFEDSA-N 2 0 321.509 2.632 20 0 DFADRP C[C@@H]1CCC[N@H+](Cc2ccc(NC(=O)[C@@H]3CCC[NH+]3C)cc2)C1 ZINC000299501326 533693298 /nfs/dbraw/zinc/69/32/98/533693298.db2.gz IARNRNRNMPHNOI-QAPCUYQASA-N 2 0 315.461 2.951 20 0 DFADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]CC(C)(C)OCC)[C@H](C)C1 ZINC000437087235 297054208 /nfs/dbraw/zinc/05/42/08/297054208.db2.gz UTSQPZJZSIMVKB-CVEARBPZSA-N 2 0 300.487 2.528 20 0 DFADRP CC[N@@H+]1CCCC[C@H]1C(=O)NC[C@@H]1CCC[NH+]1C1CCCCC1 ZINC000437855605 297072445 /nfs/dbraw/zinc/07/24/45/297072445.db2.gz YORKRMSGBTVQJI-ROUUACIJSA-N 2 0 321.509 2.774 20 0 DFADRP CCC[C@H](C(=O)NC[C@H]1CCC[N@@H+]1C1CCCCC1)[NH+](C)C ZINC000437875487 297072767 /nfs/dbraw/zinc/07/27/67/297072767.db2.gz LRFCQPOSJMFRIT-IAGOWNOFSA-N 2 0 309.498 2.630 20 0 DFADRP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)NC[C@@H]1CCC[NH+]1C1CCCCC1 ZINC000437870764 297073035 /nfs/dbraw/zinc/07/30/35/297073035.db2.gz SSLAZBQQFCQNKG-JZXOWHBKSA-N 2 0 321.509 2.773 20 0 DFADRP C[C@@H]1C[C@H]([NH2+]CCCN2CC[NH+](Cc3ccccc3)CC2)[C@H]1C ZINC000494911193 299888693 /nfs/dbraw/zinc/88/86/93/299888693.db2.gz QCRHWYIPFKEPBO-HBFSDRIKSA-N 2 0 315.505 2.828 20 0 DFADRP C[C@@H]1C[C@H]([NH2+]Cc2ccccc2C[NH+]2CCC(O)CC2)[C@@H]1C ZINC000495095915 299903327 /nfs/dbraw/zinc/90/33/27/299903327.db2.gz YQZSIGFKHHEZJS-CLCXKQKWSA-N 2 0 302.462 2.777 20 0 DFADRP CCC(CC)(CNC(=O)C[NH2+]C1CC1)[NH2+][C@H](C)c1ccccc1 ZINC000154661455 295304317 /nfs/dbraw/zinc/30/43/17/295304317.db2.gz MUWJJGGYRGWYPB-OAHLLOKOSA-N 2 0 317.477 2.764 20 0 DFADRP C[C@@H]1C[C@@H](C)C[NH+](CC2(C[N@H+]3C[C@H](C)C[C@H](C)C3)COC2)C1 ZINC000157330196 295347321 /nfs/dbraw/zinc/34/73/21/295347321.db2.gz PFQFHBYITXJHGN-TVFCKZIOSA-N 2 0 308.510 2.959 20 0 DFADRP CCC[C@@H]([NH2+]C[C@@H](C(C)C)N1CC[NH+](C)CC1)c1ccccn1 ZINC000158589636 295364833 /nfs/dbraw/zinc/36/48/33/295364833.db2.gz ZQXAAMZOXYPKCO-MJGOQNOKSA-N 2 0 318.509 2.784 20 0 DFADRP CCN(CC)C(=O)C[C@H](C)[NH2+]CCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000158680018 295366231 /nfs/dbraw/zinc/36/62/31/295366231.db2.gz YTJKOPXHIRFGGH-ULQDDVLXSA-N 2 0 311.514 2.591 20 0 DFADRP CC(=O)Nc1cccc([C@H](C)[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000400990075 295499425 /nfs/dbraw/zinc/49/94/25/295499425.db2.gz XRNJVXGYCLKJGS-VYSRMENRSA-N 2 0 301.434 2.684 20 0 DFADRP CC[NH+](CC)CCNC(=O)c1cccc(C[NH+]2CCCCC2)c1 ZINC000411250979 295533806 /nfs/dbraw/zinc/53/38/06/295533806.db2.gz GYJGIZLKTPLNQH-UHFFFAOYSA-N 2 0 317.477 2.744 20 0 DFADRP C[C@H]1CCN(C(=O)OC(C)(C)C)CC[C@H]1[NH2+]CCC[NH+](C)C ZINC000367765545 299942734 /nfs/dbraw/zinc/94/27/34/299942734.db2.gz OGDYWJHEHFSZQI-LSDHHAIUSA-N 2 0 313.486 2.563 20 0 DFADRP CC[C@H]1CCCC[N@@H+]1CCNC(=O)[C@@H]1CCC[NH+]1C1CCCC1 ZINC000438569951 297099130 /nfs/dbraw/zinc/09/91/30/297099130.db2.gz UZGNSSXLOALYIR-WMZOPIPTSA-N 2 0 321.509 2.774 20 0 DFADRP C[C@H](CNC(=O)[C@H]1CCC[N@@H+]1C1CCCC1)C[NH+]1CCCCC1 ZINC000438568776 297099276 /nfs/dbraw/zinc/09/92/76/297099276.db2.gz QQOGSRDWWUAFDA-SJLPKXTDSA-N 2 0 321.509 2.632 20 0 DFADRP COc1cc(NC(C)=O)ccc1[C@H](C)[NH2+]CCCC[NH+](C)C ZINC000439083529 297114471 /nfs/dbraw/zinc/11/44/71/297114471.db2.gz HBFVBHJRYGXOPQ-ZDUSSCGKSA-N 2 0 307.438 2.646 20 0 DFADRP CC[N@@H+]1CC[C@H]([NH+](C)CCC(=O)N(C)c2ccccc2)C[C@H]1C ZINC000441150303 297173149 /nfs/dbraw/zinc/17/31/49/297173149.db2.gz CYANHOXCABDTSR-AEFFLSMTSA-N 2 0 317.477 2.844 20 0 DFADRP CCOC(=O)[C@H](CC)N1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000441538358 297185566 /nfs/dbraw/zinc/18/55/66/297185566.db2.gz ZJSQXZFSTVECMU-IRXDYDNUSA-N 2 0 310.482 2.772 20 0 DFADRP CC(C)[C@@H]([NH2+]CCN1CC[N@H+](C)C(C)(C)C1)c1ccc(F)cn1 ZINC000442878432 297209257 /nfs/dbraw/zinc/20/92/57/297209257.db2.gz TZCTUXWKSXHASZ-QGZVFWFLSA-N 2 0 322.472 2.533 20 0 DFADRP C[C@@H](C(=O)Nc1cccc(Cl)c1)[N@@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000443057632 297214068 /nfs/dbraw/zinc/21/40/68/297214068.db2.gz HLAYBSNISUZPRH-STQMWFEESA-N 2 0 309.841 2.728 20 0 DFADRP Cc1cccc(C)c1NC(=O)[C@H](C)[N@@H+]1CCC[C@H](CC[NH3+])C1 ZINC000443058459 297214072 /nfs/dbraw/zinc/21/40/72/297214072.db2.gz AFGGYCNMKFNOCS-JKSUJKDBSA-N 2 0 303.450 2.691 20 0 DFADRP Cc1ccc(NC(=O)[C@H](C)[N@@H+]2CCC[C@H](CC[NH3+])C2)cc1F ZINC000443058039 297214096 /nfs/dbraw/zinc/21/40/96/297214096.db2.gz IXIFSAWEKGQDTP-UONOGXRCSA-N 2 0 307.413 2.522 20 0 DFADRP CCC[C@H](NC(=O)C[N@@H+]1CCC[C@@H](CC[NH3+])C1)c1ccccc1 ZINC000443060877 297214384 /nfs/dbraw/zinc/21/43/84/297214384.db2.gz PXYMRJRIKGUTJA-WMZOPIPTSA-N 2 0 317.477 2.705 20 0 DFADRP c1cc(N2CCCC2)ncc1C[NH2+]CC1CC[NH+](C2CC2)CC1 ZINC000446888819 297289580 /nfs/dbraw/zinc/28/95/80/297289580.db2.gz NQUUDKAANDBZQB-UHFFFAOYSA-N 2 0 314.477 2.646 20 0 DFADRP CCC[NH+]1CCC([N@H+](C)CCC(=O)Nc2ccc(C)cn2)CC1 ZINC000447314313 297300899 /nfs/dbraw/zinc/30/08/99/297300899.db2.gz MQQXXRQZJPUGCQ-UHFFFAOYSA-N 2 0 318.465 2.525 20 0 DFADRP C[N@@H+]1CCCC(C)(C)[C@@H]1CNc1cc(N2CCCC2)ncn1 ZINC000447815208 297318543 /nfs/dbraw/zinc/31/85/43/297318543.db2.gz DVYGXASWUVWTTR-AWEZNQCLSA-N 2 0 303.454 2.609 20 0 DFADRP CC[NH+](CC)CC1CC[NH+]([C@@H](C)c2nc(C)cc(=O)[nH]2)CC1 ZINC000447853728 297321340 /nfs/dbraw/zinc/32/13/40/297321340.db2.gz IFVROGXHYJSKIQ-AWEZNQCLSA-N 2 0 306.454 2.605 20 0 DFADRP CCO[C@@H](CC[NH+](C)C)C[NH2+]Cc1ncc(C(C)(C)C)s1 ZINC000447891109 297323610 /nfs/dbraw/zinc/32/36/10/297323610.db2.gz AAMVLUOOAXHQFK-ZDUSSCGKSA-N 2 0 313.511 2.887 20 0 DFADRP Cc1cccc(CC[N@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@@H]32)c1 ZINC000449048570 297397706 /nfs/dbraw/zinc/39/77/06/297397706.db2.gz PWAKVBHXAMCJOC-GBESFXJTSA-N 2 0 302.462 2.721 20 0 DFADRP CC[NH+]1CCN(C[C@H](C)C[NH2+]Cc2cccc3ccoc32)CC1 ZINC000449132364 297410553 /nfs/dbraw/zinc/41/05/53/297410553.db2.gz UHGFDYJZVAFAQF-MRXNPFEDSA-N 2 0 315.461 2.796 20 0 DFADRP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+]CC2(C)COC2)CC1 ZINC000449139344 297411834 /nfs/dbraw/zinc/41/18/34/297411834.db2.gz KMOYUXXXLOJVKF-MRXNPFEDSA-N 2 0 302.462 2.708 20 0 DFADRP CC[NH+]1CCN(CC(C)(C)[NH2+]Cc2ccc([C@@H]3C[C@H]3C)o2)CC1 ZINC000449748948 297526880 /nfs/dbraw/zinc/52/68/80/297526880.db2.gz DHDHAKDKHVXXQR-NVXWUHKLSA-N 2 0 319.493 2.909 20 0 DFADRP CC[NH+]1CCN(CC(C)(C)[NH2+]CCSc2ccccc2)CC1 ZINC000451984571 297909001 /nfs/dbraw/zinc/90/90/01/297909001.db2.gz LNNKYWLVJKXQND-UHFFFAOYSA-N 2 0 321.534 2.784 20 0 DFADRP C[C@H](C(=O)N1CCCC[C@H]([NH+]2CCCC2)C1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000245945966 298022830 /nfs/dbraw/zinc/02/28/30/298022830.db2.gz WQOLYSDJUSMTCE-XDNAFOTISA-N 2 0 321.509 2.725 20 0 DFADRP C[C@@H](Cc1cnccn1)[NH2+]Cc1cccc(C[NH+]2CCCC2)c1 ZINC000453060261 298058569 /nfs/dbraw/zinc/05/85/69/298058569.db2.gz BYLDMMCDEPOFOE-INIZCTEOSA-N 2 0 310.445 2.793 20 0 DFADRP C[C@H](CN[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H]2CCC[C@@H]21)[NH+](C)C ZINC000453117714 298063904 /nfs/dbraw/zinc/06/39/04/298063904.db2.gz ZNQQIKQNXSKDQL-VBSBHUPXSA-N 2 0 315.505 2.969 20 0 DFADRP CC[C@H]([NH2+]C1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1)c1ccncc1 ZINC000453157525 298067714 /nfs/dbraw/zinc/06/77/14/298067714.db2.gz GOIHOFFJEWUILP-FHWLQOOXSA-N 2 0 317.477 2.890 20 0 DFADRP c1ccc(C[N@@H+]2CC[C@H]([NH2+][C@@H]3CCOC3)[C@H]3CCC[C@H]32)cc1 ZINC000453179636 298069058 /nfs/dbraw/zinc/06/90/58/298069058.db2.gz UYYOJGIXIOTDQQ-AKHDSKFASA-N 2 0 300.446 2.808 20 0 DFADRP CC(C)OCCOC1CC[NH+]([C@H]2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000453354434 298086676 /nfs/dbraw/zinc/08/66/76/298086676.db2.gz JSCXVVDDUVRRLA-SJORKVTESA-N 2 0 310.482 2.519 20 0 DFADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CC(C)(C)C(C)(C)O)[C@@H](C)C1 ZINC000453381877 298088648 /nfs/dbraw/zinc/08/86/48/298088648.db2.gz XXTYZKMGGSTHDX-JKSUJKDBSA-N 2 0 314.514 2.510 20 0 DFADRP C[C@@H](CC(=O)N(C)c1ccccc1)[NH2+]CCCC[N@H+](C)C1CC1 ZINC000453390002 298089164 /nfs/dbraw/zinc/08/91/64/298089164.db2.gz CQSFMMSJUJHPSL-INIZCTEOSA-N 2 0 317.477 2.892 20 0 DFADRP C[C@@H]([NH2+]CCCC[N@H+](C)C1CC1)c1ccc([S@](C)=O)cc1 ZINC000453419339 298092850 /nfs/dbraw/zinc/09/28/50/298092850.db2.gz YVDYSRRZKZGYOD-SZNDQCEHSA-N 2 0 308.491 2.949 20 0 DFADRP CCCC[NH+]1CCC(NC(=O)N[C@H](C)c2nccn2CC)CC1 ZINC000455467174 298364547 /nfs/dbraw/zinc/36/45/47/298364547.db2.gz MHXQWIQQUWOXNW-CQSZACIVSA-N 2 0 321.469 2.528 20 0 DFADRP CCC[NH+]1CCC(N(C)C(=O)C2C[NH+](C3CCCCC3)C2)CC1 ZINC000457478853 298735581 /nfs/dbraw/zinc/73/55/81/298735581.db2.gz HKWHSPRYOITCRA-UHFFFAOYSA-N 2 0 321.509 2.584 20 0 DFADRP CCC[C@H](C(=O)Nc1ccc(OCC[NH+](C)C)c(C)c1)[NH+](C)C ZINC000458199270 298882831 /nfs/dbraw/zinc/88/28/31/298882831.db2.gz QQMAYXBOAZXYIE-MRXNPFEDSA-N 2 0 321.465 2.604 20 0 DFADRP CCC[NH2+]CC[NH2+][C@@H]1CCCN(C(=O)Oc2ccccc2)CC1 ZINC000496254083 300036376 /nfs/dbraw/zinc/03/63/76/300036376.db2.gz LPKCGTJXWIZXCT-MRXNPFEDSA-N 2 0 319.449 2.629 20 0 DFADRP C[C@H](C[C@H](C)[NH2+]CC(C)(C)C[NH+](C)C)NC(=O)OC(C)(C)C ZINC000496282411 300040768 /nfs/dbraw/zinc/04/07/68/300040768.db2.gz IXGMMYNXSQAJAE-UONOGXRCSA-N 2 0 315.502 2.856 20 0 DFADRP C[C@H]([NH2+][C@H]1CCC[C@@H]([NH3+])C1)c1cccc(N2CCOC2=O)c1 ZINC000496284984 300040950 /nfs/dbraw/zinc/04/09/50/300040950.db2.gz QDTJAOADEAKHND-CFVMTHIKSA-N 2 0 303.406 2.564 20 0 DFADRP [NH3+][C@H]1CCC[C@H]1[NH2+]CCCCCNC(=O)OCc1ccccc1 ZINC000496638090 300091546 /nfs/dbraw/zinc/09/15/46/300091546.db2.gz AKHNCRZULAWYKP-DLBZAZTESA-N 2 0 319.449 2.553 20 0 DFADRP C[C@H]([NH2+]C1CCC(C[NH3+])CC1)c1cccc(N2CCOC2=O)c1 ZINC000496936839 300134944 /nfs/dbraw/zinc/13/49/44/300134944.db2.gz HBNRAYQUUNABOG-HLIUYOAVSA-N 2 0 317.433 2.811 20 0 DFADRP CCOC(=O)N1CCC[C@@H]([C@H](C)[NH2+]CCc2ccncc2C)C1 ZINC000496993683 300144237 /nfs/dbraw/zinc/14/42/37/300144237.db2.gz KKTRKXMMDCVDMW-DOTOQJQBSA-N 2 0 319.449 2.779 20 0 DFADRP CCCC[N@H+](C)CC1CCN(C(=O)[C@@H]2CCCC[C@@]2(C)[NH3+])CC1 ZINC000498203416 300194519 /nfs/dbraw/zinc/19/45/19/300194519.db2.gz ZVBJTLLRFNVRCD-PKOBYXMFSA-N 2 0 323.525 2.865 20 0 DFADRP O[C@H]1CC[C@H]([NH2+][C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)CC1 ZINC000507461401 300235814 /nfs/dbraw/zinc/23/58/14/300235814.db2.gz LUHLBRUZSLPQSK-VYJAJWGXSA-N 2 0 314.473 2.790 20 0 DFADRP CCC[C@H](C(=O)N1CCC[N@H+](CC2CCCCC2)CC1)[NH+](C)C ZINC000509921079 300243342 /nfs/dbraw/zinc/24/33/42/300243342.db2.gz WUEFIAKGLKZQHB-GOSISDBHSA-N 2 0 323.525 2.831 20 0 DFADRP C/C(=C/c1ccc(Cl)cc1)C[NH2+]CCCN1CC[NH+](C)CC1 ZINC000512985838 300256858 /nfs/dbraw/zinc/25/68/58/300256858.db2.gz RBGIUUPWEWHMHE-PEZBUJJGSA-N 2 0 321.896 2.970 20 0 DFADRP C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC000514730209 300268845 /nfs/dbraw/zinc/26/88/45/300268845.db2.gz KAQGPIOSMKFHQZ-QAPCUYQASA-N 2 0 321.509 2.582 20 0 DFADRP CCOc1cc(C[NH2+][C@H](C)C[C@H](C)[NH3+])cc(Cl)c1OC ZINC000514937877 300280588 /nfs/dbraw/zinc/28/05/88/300280588.db2.gz ILTLEGJLPMADRO-WDEREUQCSA-N 2 0 300.830 2.963 20 0 DFADRP CC(C)[N@H+](CCCc1cncn1C)CCN1CCCCCC1 ZINC000514947782 300281536 /nfs/dbraw/zinc/28/15/36/300281536.db2.gz KFKAEFMVUNUKMN-UHFFFAOYSA-N 2 0 306.498 2.939 20 0 DFADRP C[C@H](Cc1ccsc1)[NH2+]Cc1cc(C2CC[NH2+]CC2)no1 ZINC000515414902 300305863 /nfs/dbraw/zinc/30/58/63/300305863.db2.gz XHZXJXPHEAQNOX-GFCCVEGCSA-N 2 0 305.447 2.924 20 0 DFADRP C[N@@H+]1CCC[C@H](CNC(=O)CC[C@@H]([NH3+])CC2CCCCC2)C1 ZINC000515654470 300316716 /nfs/dbraw/zinc/31/67/16/300316716.db2.gz SUGSTEDGBWPAJG-IAGOWNOFSA-N 2 0 309.498 2.522 20 0 DFADRP C[C@H](C[NH2+]C[C@H](O)Cc1cccc(Cl)c1)C[NH+]1CCCC1 ZINC000516048458 300327486 /nfs/dbraw/zinc/32/74/86/300327486.db2.gz HGGBZWYKTYGQJK-RHSMWYFYSA-N 2 0 310.869 2.565 20 0 DFADRP Cc1cc(F)ccc1N1CCC[C@H]([NH2+][C@H]2CCC[C@H]([NH3+])C2)C1 ZINC000516492001 300345322 /nfs/dbraw/zinc/34/53/22/300345322.db2.gz QCIHVKWOIVLBDX-ULQDDVLXSA-N 2 0 305.441 2.962 20 0 DFADRP C[C@@H]([NH2+]CCC[C@@H]1CCC[NH2+]1)c1ccc2c(c1)CCC(=O)N2 ZINC000517024162 300377806 /nfs/dbraw/zinc/37/78/06/300377806.db2.gz KUTSRASCAOSPEB-CZUORRHYSA-N 2 0 301.434 2.754 20 0 DFADRP CCOC[C@@H](O)C[NH2+]Cc1ccccc1C[N@@H+]1CCCC[C@@H]1C ZINC000517025136 300377810 /nfs/dbraw/zinc/37/78/10/300377810.db2.gz UFBYOCGABZRCPW-LPHOPBHVSA-N 2 0 320.477 2.548 20 0 DFADRP [NH3+]CCC1CC[NH+](CC(=O)Nc2cccc3ccccc32)CC1 ZINC000517036179 300379338 /nfs/dbraw/zinc/37/93/38/300379338.db2.gz XZBCSJQYBRQGQI-UHFFFAOYSA-N 2 0 311.429 2.839 20 0 DFADRP C[C@H]1C[C@@H](C(=O)NCC2([NH+]3CCCCC3)CCCCC2)CC[NH2+]1 ZINC000262460833 300403318 /nfs/dbraw/zinc/40/33/18/300403318.db2.gz VTPZVHYBDPQCMX-IRXDYDNUSA-N 2 0 321.509 2.680 20 0 DFADRP COCC1(C[NH2+][C@H]2CCCc3c(OC)cccc32)CC[NH2+]CC1 ZINC000520394113 300495141 /nfs/dbraw/zinc/49/51/41/300495141.db2.gz JIALYAQMNGSPOV-KRWDZBQOSA-N 2 0 318.461 2.678 20 0 DFADRP Cc1ccc(NC(=O)C[C@@H](C)[NH2+]CCC[NH2+]C(C)C)c(C)c1 ZINC000521025834 300515360 /nfs/dbraw/zinc/51/53/60/300515360.db2.gz UGPBVFZUEYCIEH-MRXNPFEDSA-N 2 0 305.466 2.998 20 0 DFADRP C[C@H]([NH2+]C1CCN(C2CC[NH+](C)CC2)CC1)C1CC(F)(F)C1 ZINC000529536972 300945882 /nfs/dbraw/zinc/94/58/82/300945882.db2.gz BPOFNLMNUKPPHU-ZDUSSCGKSA-N 2 0 315.452 2.568 20 0 DFADRP C[C@H]([NH2+]C1CC[NH+]([C@H]2CCCC[C@H]2O)CC1)C1CC(F)(F)C1 ZINC000529543399 300947401 /nfs/dbraw/zinc/94/74/01/300947401.db2.gz KOWHDFOJSOANNW-VBNZEHGJSA-N 2 0 316.436 2.778 20 0 DFADRP c1ccc2c(c1)O[C@]1(CC[NH2+]C1)C[C@H]2[NH2+]CC[C@@H]1CCCOC1 ZINC000530206598 301028819 /nfs/dbraw/zinc/02/88/19/301028819.db2.gz AUKYRHSTWFLRBS-KVSKMBFKSA-N 2 0 316.445 2.649 20 0 DFADRP c1ccc2c(c1)O[C@]1(CC[NH2+]C1)C[C@H]2[NH2+]CC[C@H]1CCCOC1 ZINC000530206600 301028838 /nfs/dbraw/zinc/02/88/38/301028838.db2.gz AUKYRHSTWFLRBS-SZVBFZGTSA-N 2 0 316.445 2.649 20 0 DFADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]CCc1cccc2c1OC(F)(F)O2 ZINC000530216210 301029855 /nfs/dbraw/zinc/02/98/55/301029855.db2.gz OAVPBOIGHUSTCT-DGCLKSJQSA-N 2 0 312.360 2.528 20 0 DFADRP CO[C@@H](Cc1ccc(F)cc1)C[N@@H+]1CC2(C[C@@H]1C)CC[NH2+]CC2 ZINC000530222990 301031631 /nfs/dbraw/zinc/03/16/31/301031631.db2.gz IYADKHUHSANPGP-YJBOKZPZSA-N 2 0 320.452 2.847 20 0 DFADRP O[C@@H](C[NH2+]C[C@@H]1CCN1C1CCCCC1)c1ccccc1F ZINC000530234932 301032958 /nfs/dbraw/zinc/03/29/58/301032958.db2.gz AWLZPQMCKQOXSL-YJBOKZPZSA-N 2 0 306.425 2.856 20 0 DFADRP CC[C@H](C(=O)N1CCC(C[N@H+](C)C(C)C)CC1)[NH+](CC)CC ZINC000531049002 301077308 /nfs/dbraw/zinc/07/73/08/301077308.db2.gz ZOPXYABYYDTCJE-QGZVFWFLSA-N 2 0 311.514 2.686 20 0 DFADRP COc1cc(C)ccc1[C@H](C)[NH2+]C[C@H](C)CN1CC[NH+](C)CC1 ZINC000531704472 301104974 /nfs/dbraw/zinc/10/49/74/301104974.db2.gz PUBFGCUJBAVOMY-IRXDYDNUSA-N 2 0 319.493 2.538 20 0 DFADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CCc2ccc(C)nc2)[C@@H](C)C1 ZINC000531715882 301105731 /nfs/dbraw/zinc/10/57/31/301105731.db2.gz RZCUGTWFNVEPQP-QFBILLFUSA-N 2 0 319.493 2.659 20 0 DFADRP C[C@@H](CN1CC[NH+](C)CC1)[NH2+][C@H](CC1CC1)c1ccccc1 ZINC000531720179 301106008 /nfs/dbraw/zinc/10/60/08/301106008.db2.gz QQXVZAFRFLKZNP-QFBILLFUSA-N 2 0 301.478 2.753 20 0 DFADRP CCC[NH+]1CCN(c2ccccc2C[NH2+]C[C@H]2C[C@@H]2C)CC1 ZINC000531785871 301110392 /nfs/dbraw/zinc/11/03/92/301110392.db2.gz XUZPFIBQKMDIGO-FUHWJXTLSA-N 2 0 301.478 2.964 20 0 DFADRP C[C@@H]([NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1)c1ccc2c(c1)CCC(=O)N2 ZINC000531940374 301119738 /nfs/dbraw/zinc/11/97/38/301119738.db2.gz USLIVLMAXLFWGD-KGLIPLIRSA-N 2 0 313.445 2.706 20 0 DFADRP C[C@@H]([NH2+]C[C@H]1CC[N@@H+](C2CC2)C1)c1ccc2c(c1)CCC(=O)N2 ZINC000531940376 301119767 /nfs/dbraw/zinc/11/97/67/301119767.db2.gz USLIVLMAXLFWGD-ZIAGYGMSSA-N 2 0 313.445 2.706 20 0 DFADRP CC[NH+]1CCC(CC[NH2+]C2CCC(O)(C(F)(F)F)CC2)CC1 ZINC000531980365 301123424 /nfs/dbraw/zinc/12/34/24/301123424.db2.gz GSJPMMISJDNJNE-UHFFFAOYSA-N 2 0 322.415 2.934 20 0 DFADRP CC[C@H]([NH2+]Cc1ccccc1OCC[NH+](C)C)C1CCOCC1 ZINC000532205595 301136374 /nfs/dbraw/zinc/13/63/74/301136374.db2.gz PUDPDJWAPHSLCO-SFHVURJKSA-N 2 0 320.477 2.922 20 0 DFADRP COc1cc(C)ccc1[C@H](C)[NH2+]C1CCN(CC[NH+](C)C)CC1 ZINC000532459727 301154183 /nfs/dbraw/zinc/15/41/83/301154183.db2.gz ZRVIOPWTWNPMII-INIZCTEOSA-N 2 0 319.493 2.680 20 0 DFADRP Cc1ccccc1NC(=O)C[C@H](C)[NH2+][C@H]1CCN(C)[C@H](C)C1 ZINC000532525265 301158435 /nfs/dbraw/zinc/15/84/35/301158435.db2.gz ITXQEDKHYWRWLT-XHSDSOJGSA-N 2 0 303.450 2.784 20 0 DFADRP Cc1cc(C)c2c(c1)[C@H]([NH2+]CC1(O)CC[NH+](C)CC1)CCCO2 ZINC000269069437 301211546 /nfs/dbraw/zinc/21/15/46/301211546.db2.gz WOVQOBWPYPMLCI-QGZVFWFLSA-N 2 0 318.461 2.563 20 0 DFADRP CCO[C@@H](C)c1nc(CN2CC[C@H](c3nccn3C)C2)cs1 ZINC000533865547 301214814 /nfs/dbraw/zinc/21/48/14/301214814.db2.gz QBBMOESODRYKGC-STQMWFEESA-N 2 0 320.462 2.964 20 0 DFADRP Cc1nc(C[N@H+]2CC[C@@H](c3nccn3C)C2)nc2ccccc12 ZINC000533865640 301215119 /nfs/dbraw/zinc/21/51/19/301215119.db2.gz UUGSEBDQHCWKGA-CQSZACIVSA-N 2 0 307.401 2.661 20 0 DFADRP CC[C@H](C(=O)N1CCN(Cc2ccsc2)CC1)[NH+](CC)CC ZINC000535266020 301251918 /nfs/dbraw/zinc/25/19/18/301251918.db2.gz VSUSHGIHCZPULV-MRXNPFEDSA-N 2 0 323.506 2.513 20 0 DFADRP CCC[C@H]1CN(CC(C)C[N@@H+]2CCO[C@@H](CCC)C2)CCO1 ZINC000536181135 301269927 /nfs/dbraw/zinc/26/99/27/301269927.db2.gz RMQUHYDLTVCMSK-ROUUACIJSA-N 2 0 312.498 2.624 20 0 DFADRP CCc1ccc(CC[N@H+](C)CCN(C)C2CC[NH+](C)CC2)cc1 ZINC000536452303 301274421 /nfs/dbraw/zinc/27/44/21/301274421.db2.gz CAPFGDQUYPNPBG-UHFFFAOYSA-N 2 0 317.521 2.749 20 0 DFADRP CC(C)[N@H+](C)CC1CC[NH+](Cc2cnc(N(C)C)s2)CC1 ZINC000536652201 301285679 /nfs/dbraw/zinc/28/56/79/301285679.db2.gz KPYHQSCPOMSXJQ-UHFFFAOYSA-N 2 0 310.511 2.761 20 0 DFADRP C[C@H]1CCCC[N@@H+]1CCC1CC[NH+]([C@H]2CCCN(C)C2=O)CC1 ZINC000537607189 301305817 /nfs/dbraw/zinc/30/58/17/301305817.db2.gz SBTPGXKQEBACME-WMZOPIPTSA-N 2 0 321.509 2.584 20 0 DFADRP O[C@@H]1CCC[C@H]1[NH+]1CCC([NH2+]C2C3CC4CC(C3)CC2C4)CC1 ZINC000539059821 301337133 /nfs/dbraw/zinc/33/71/33/301337133.db2.gz ZNMYVIKELUBYJQ-UMJSCURQSA-N 2 0 318.505 2.779 20 0 DFADRP C(C1CC1)[NH+]1CCC([NH2+][C@H]2CCO[C@]3(CCSC3)C2)CC1 ZINC000540397258 301362492 /nfs/dbraw/zinc/36/24/92/301362492.db2.gz UKFFMIYDIFNGHU-DLBZAZTESA-N 2 0 310.507 2.505 20 0 DFADRP CC[C@@H]([NH2+]CC1CCN(c2cc[nH+]cc2)CC1)c1ccn(C)n1 ZINC000544570511 301453351 /nfs/dbraw/zinc/45/33/51/301453351.db2.gz XNZQZPQDSCUOLA-QGZVFWFLSA-N 2 0 313.449 2.772 20 0 DFADRP O=C(C[NH2+][C@H]1CCC[C@@H](C2CC2)C1)NCC[NH+]1CCCCCC1 ZINC000552064822 301679642 /nfs/dbraw/zinc/67/96/42/301679642.db2.gz RIDYUVBCYKOHSU-MSOLQXFVSA-N 2 0 321.509 2.537 20 0 DFADRP Cc1ccc([C@H](CNC(=O)[C@@H]2CCCC[C@@]2(C)[NH3+])[NH+](C)C)cc1 ZINC000263217900 301795495 /nfs/dbraw/zinc/79/54/95/301795495.db2.gz LGCPIEXLSYZIFV-JENIJYKNSA-N 2 0 317.477 2.622 20 0 DFADRP CC1CC[NH+](C2CCC(NC(=O)CCCC[NH+](C)C)CC2)CC1 ZINC000558639321 301853119 /nfs/dbraw/zinc/85/31/19/301853119.db2.gz QMUAIGUGZAKALC-UHFFFAOYSA-N 2 0 323.525 2.878 20 0 DFADRP C[C@@H]1C[C@@H](C)C[NH+](CCC[NH2+]C[C@H](O)Cc2ccc(F)cc2)C1 ZINC000560343207 301890156 /nfs/dbraw/zinc/89/01/56/301890156.db2.gz VCWUKFQTVYRCGW-GPMSIDNRSA-N 2 0 322.468 2.687 20 0 DFADRP C[NH+](C)CCCCC(=O)N[C@H](C[NH+]1CCCC1)c1ccccc1 ZINC000560696581 301910999 /nfs/dbraw/zinc/91/09/99/301910999.db2.gz LMYQUZIKUMHRAL-GOSISDBHSA-N 2 0 317.477 2.672 20 0 DFADRP CC(C)[C@@H](CO)C[NH2+][C@H](C)c1ccc(OCC[NH+](C)C)cc1 ZINC000562063600 301950628 /nfs/dbraw/zinc/95/06/28/301950628.db2.gz FAIJPEWZQJLTSZ-NVXWUHKLSA-N 2 0 308.466 2.542 20 0 DFADRP CC(C)[C@H](CO)C[NH2+][C@@H](C)c1ccc(OCC[NH+](C)C)cc1 ZINC000562063601 301950650 /nfs/dbraw/zinc/95/06/50/301950650.db2.gz FAIJPEWZQJLTSZ-RDJZCZTQSA-N 2 0 308.466 2.542 20 0 DFADRP Cc1cccc(C[C@H]([NH2+][C@@H](C)CN2CC[NH+](C)CC2)C2CC2)c1 ZINC000155114621 301985908 /nfs/dbraw/zinc/98/59/08/301985908.db2.gz XMXXMQKYDDMUEU-PXNSSMCTSA-N 2 0 315.505 2.542 20 0 DFADRP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1[NH2+]Cc1ccc(-c2cccnc2)cc1 ZINC000562958942 302017895 /nfs/dbraw/zinc/01/78/95/302017895.db2.gz YOTPTIUQDUFDMB-JVPBZIDWSA-N 2 0 311.429 2.591 20 0 DFADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]Cc1ccc(OCC(F)(F)F)nc1 ZINC000562958450 302018227 /nfs/dbraw/zinc/01/82/27/302018227.db2.gz HXSHBURRVULXON-DGCLKSJQSA-N 2 0 317.355 2.500 20 0 DFADRP [NH3+]C[C@H]1CCCC[C@H]1[NH2+]CCc1nc(-c2ccncc2)cs1 ZINC000562960440 302018545 /nfs/dbraw/zinc/01/85/45/302018545.db2.gz XXENWZIUQSSERO-HUUCEWRRSA-N 2 0 316.474 2.855 20 0 DFADRP C[NH+](C)CC1CCC([NH2+]C[C@@H](O)Cc2cccc(Cl)c2)CC1 ZINC000562995442 302022664 /nfs/dbraw/zinc/02/26/64/302022664.db2.gz SFBIHJAUTOKGSN-UYJHFMRCSA-N 2 0 324.896 2.953 20 0 DFADRP CC(C)CC[N@@H+]1Cc2cccc(NC(=O)[C@H]3CC[NH2+][C@@H]3C)c2C1 ZINC000563203138 302048601 /nfs/dbraw/zinc/04/86/01/302048601.db2.gz OHAGAQGARSMBPH-ZBFHGGJFSA-N 2 0 315.461 2.985 20 0 DFADRP CC[NH+](CC)[C@@H](C(=O)N1CCC(CC[NH3+])CC1)c1ccccc1 ZINC000563337884 302063380 /nfs/dbraw/zinc/06/33/80/302063380.db2.gz FMBSNHVFAOUOTE-GOSISDBHSA-N 2 0 317.477 2.657 20 0 DFADRP CC[NH+](CC)[C@H](C(=O)N1CCC(CC[NH3+])CC1)c1ccccc1 ZINC000563337885 302063490 /nfs/dbraw/zinc/06/34/90/302063490.db2.gz FMBSNHVFAOUOTE-SFHVURJKSA-N 2 0 317.477 2.657 20 0 DFADRP O=C(C[C@H]1CCC[NH2+]C1)Nc1ccc(CC[NH+]2CCCC2)cc1 ZINC000563413050 302068969 /nfs/dbraw/zinc/06/89/69/302068969.db2.gz KVQNTTNEMZCNFM-QGZVFWFLSA-N 2 0 315.461 2.653 20 0 DFADRP [NH3+][C@H]1CCC[C@@H]([NH2+]CCCOc2ccc(C(F)(F)F)cn2)C1 ZINC000563422713 302071075 /nfs/dbraw/zinc/07/10/75/302071075.db2.gz ASOLRJLXDCYMST-QWHCGFSZSA-N 2 0 317.355 2.729 20 0 DFADRP [NH3+][C@H]1CCC[C@H]([NH2+]CCCOc2ccc(C(F)(F)F)cn2)C1 ZINC000563422714 302071149 /nfs/dbraw/zinc/07/11/49/302071149.db2.gz ASOLRJLXDCYMST-STQMWFEESA-N 2 0 317.355 2.729 20 0 DFADRP [NH3+][C@@H]1CCC[C@@H]([NH2+]CCCOc2ccc(C(F)(F)F)cn2)C1 ZINC000563422709 302071349 /nfs/dbraw/zinc/07/13/49/302071349.db2.gz ASOLRJLXDCYMST-CHWSQXEVSA-N 2 0 317.355 2.729 20 0 DFADRP [NH3+][C@@H]1CCC[C@H]([NH2+]Cc2cc(F)cc(Br)c2)C1 ZINC000563427382 302071818 /nfs/dbraw/zinc/07/18/18/302071818.db2.gz YGDDFZPYCXIURD-OLZOCXBDSA-N 2 0 301.203 2.948 20 0 DFADRP CN1CC[NH+](CCCC[NH2+][C@@H](c2cccnc2)C2CCC2)CC1 ZINC000563582679 302084188 /nfs/dbraw/zinc/08/41/88/302084188.db2.gz QUHBLZCLFTZFAI-LJQANCHMSA-N 2 0 316.493 2.540 20 0 DFADRP CC[N@H+](Cc1ccc(C(=O)N[C@@H](C)C[C@H](C)[NH3+])cc1)C1CC1 ZINC000563961195 302112232 /nfs/dbraw/zinc/11/22/32/302112232.db2.gz ZBUNWFDHNQWQHT-KBPBESRZSA-N 2 0 303.450 2.527 20 0 DFADRP CC[N@@H+]1CC[C@H](N(C)C(=O)CC[C@H]([NH3+])c2ccccc2)C[C@H]1C ZINC000563961214 302112519 /nfs/dbraw/zinc/11/25/19/302112519.db2.gz XMTOBSNLPFCVBI-NJAFHUGGSA-N 2 0 317.477 2.798 20 0 DFADRP Cc1cccc(NC(=O)C[C@H](C)[NH2+][C@H]2CCCC[C@@H]2C[NH3+])c1 ZINC000564649639 302147084 /nfs/dbraw/zinc/14/70/84/302147084.db2.gz HVGJEGHEAZWQIB-UXLLHSPISA-N 2 0 303.450 2.819 20 0 DFADRP C[C@H]([NH2+]C[C@H]1CC[N@@H+](C2CC2)C1)c1cncc(Br)c1 ZINC000564742275 302155715 /nfs/dbraw/zinc/15/57/15/302155715.db2.gz YBPTUXHOFGGWQH-NWDGAFQWSA-N 2 0 324.266 2.979 20 0 DFADRP Cc1ccc(C[NH2+]C2CCC([NH3+])CC2)c(-n2cc(Cl)cn2)n1 ZINC000564823082 302161312 /nfs/dbraw/zinc/16/13/12/302161312.db2.gz QAUZZVKGMJAKNG-UHFFFAOYSA-N 2 0 319.840 2.589 20 0 DFADRP C[C@H](CC[NH+](C)C)[NH2+]C[C@H](O)COc1ccc2ccccc2c1 ZINC000564857306 302164960 /nfs/dbraw/zinc/16/49/60/302164960.db2.gz SGCIRJMCEFCCIN-QAPCUYQASA-N 2 0 316.445 2.509 20 0 DFADRP C[C@H](c1nc(-c2ccccc2)no1)[NH+]1CCC(CC[NH3+])CC1 ZINC000565096827 302193727 /nfs/dbraw/zinc/19/37/27/302193727.db2.gz ZDAFGVULIAODEG-CYBMUJFWSA-N 2 0 300.406 2.858 20 0 DFADRP C[C@H]1C[C@H](NC2CC([NH+](C)C)C2)CC[N@@H+]1Cc1ccccc1 ZINC000565218806 302209091 /nfs/dbraw/zinc/20/90/91/302209091.db2.gz PCKPQNRBTDVMCO-XMZVIZOASA-N 2 0 301.478 2.722 20 0 DFADRP [NH3+][C@@H]1CCC[C@@H]([NH2+]CCc2nc(-c3cccc(Cl)c3)no2)C1 ZINC000565225619 302210383 /nfs/dbraw/zinc/21/03/83/302210383.db2.gz GHZFJYGLACTDMF-ZIAGYGMSSA-N 2 0 320.824 2.792 20 0 DFADRP C[C@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)CCCC[NH3+])cc1 ZINC000565888906 302246837 /nfs/dbraw/zinc/24/68/37/302246837.db2.gz IHJDTFRVZXAFGF-INIZCTEOSA-N 2 0 317.477 2.806 20 0 DFADRP CC(C)C[N@@H+]1CC[C@H](C[NH2+]C[C@@H](O)[C@H](C)c2ccccc2)C1 ZINC000565887591 302246982 /nfs/dbraw/zinc/24/69/82/302246982.db2.gz WQCZLTBAUMROQB-ZHALLVOQSA-N 2 0 304.478 2.719 20 0 DFADRP [NH3+][C@H]1CCC[C@H]([NH2+]Cc2ccc(NC(=O)c3cccnc3)cc2)C1 ZINC000566020540 302254311 /nfs/dbraw/zinc/25/43/11/302254311.db2.gz TZYOLWWKXSQHHY-WMZOPIPTSA-N 2 0 324.428 2.693 20 0 DFADRP COc1ccccc1OCC[NH2+][C@@H](C)c1ccc(C[NH3+])nc1C ZINC000566089375 302258408 /nfs/dbraw/zinc/25/84/08/302258408.db2.gz HXBQKQDOCBXYBM-ZDUSSCGKSA-N 2 0 315.417 2.587 20 0 DFADRP C[C@H]([NH2+]Cc1cc(N(C)C)nc2ccccc12)[C@H]1CCC[NH2+]C1 ZINC000566089586 302258619 /nfs/dbraw/zinc/25/86/19/302258619.db2.gz UQWYNCAZRQXCOY-GJZGRUSLSA-N 2 0 312.461 2.779 20 0 DFADRP CC(C)C[N@@H+]1CCC[C@@H](C[NH2+]C[C@H](O)CCc2ccccc2)C1 ZINC000566114539 302260672 /nfs/dbraw/zinc/26/06/72/302260672.db2.gz IZPINZIHWADANS-VQTJNVASSA-N 2 0 318.505 2.938 20 0 DFADRP CC(C)[N@H+](C)CC1CC[NH+](C[C@@H](C[NH3+])c2ccc(F)cc2)CC1 ZINC000566304201 302277284 /nfs/dbraw/zinc/27/72/84/302277284.db2.gz SHBVSNOIRSQIRS-GOSISDBHSA-N 3 0 321.484 2.920 20 0 DFADRP CCC(CC)(CNC(=O)[C@H](C)[NH2+]C)[NH2+][C@@H](C)c1ccccc1 ZINC000567248574 302344829 /nfs/dbraw/zinc/34/48/29/302344829.db2.gz HFNBZMZWFGEEJV-GJZGRUSLSA-N 2 0 305.466 2.620 20 0 DFADRP C[C@@H](CCc1n[nH]c2ccccc21)[NH2+]C[C@@]1(C)CCC[NH2+]C1 ZINC000567471858 302361537 /nfs/dbraw/zinc/36/15/37/302361537.db2.gz PRGSIXTVFSKWHR-KSSFIOAISA-N 2 0 300.450 2.863 20 0 DFADRP C[C@H](CCc1n[nH]c2ccccc21)[NH2+]C[C@]1(C)CCC[NH2+]C1 ZINC000567471859 302361640 /nfs/dbraw/zinc/36/16/40/302361640.db2.gz PRGSIXTVFSKWHR-RDTXWAMCSA-N 2 0 300.450 2.863 20 0 DFADRP C[C@@H]([NH2+]CCc1cccc(C(F)(F)F)n1)[C@H]1CCC[NH2+]C1 ZINC000567490145 302363808 /nfs/dbraw/zinc/36/38/08/302363808.db2.gz VVCTVFRSGZHEJQ-NEPJUHHUSA-N 2 0 301.356 2.621 20 0 DFADRP CC(C)[N@@H+]1CCCC[C@H]1C(=O)Nc1ccc2c(c1)C[NH2+]CC2 ZINC000567500176 302364161 /nfs/dbraw/zinc/36/41/61/302364161.db2.gz MUMQTUAWVRKFKA-KRWDZBQOSA-N 2 0 301.434 2.534 20 0 DFADRP COC1CC[NH+](C2(CN[C@@H]3CCCCC[C@H]3[NH3+])CCCC2)CC1 ZINC000567579875 302369811 /nfs/dbraw/zinc/36/98/11/302369811.db2.gz OWKVXHUZBCTDCZ-QZTJIDSGSA-N 3 0 323.525 2.660 20 0 DFADRP Cc1cnn(CC[NH2+][C@H]2CCN(Cc3ccccc3)C3(CC3)C2)c1 ZINC000567587423 302370676 /nfs/dbraw/zinc/37/06/76/302370676.db2.gz IFDWXWQCVFXSPZ-IBGZPJMESA-N 2 0 324.472 2.978 20 0 DFADRP [NH3+]C[C@@H]1CCC[C@H]1[NH2+]Cc1cccc(NC(=O)c2ccncc2)c1 ZINC000567642378 302375777 /nfs/dbraw/zinc/37/57/77/302375777.db2.gz RELFOFGVAIHTKU-FUHWJXTLSA-N 2 0 324.428 2.551 20 0 DFADRP [NH3+]C[C@H]1CCC[C@@H]1[NH2+]Cc1cccc(NC(=O)c2ccncc2)c1 ZINC000567642377 302376002 /nfs/dbraw/zinc/37/60/02/302376002.db2.gz RELFOFGVAIHTKU-AEFFLSMTSA-N 2 0 324.428 2.551 20 0 DFADRP CC(C)C[C@H]1OCCC[C@H]1[NH2+]Cc1cc(C2CC[NH2+]CC2)no1 ZINC000567663282 302377386 /nfs/dbraw/zinc/37/73/86/302377386.db2.gz PXHYXKVDUOCXCU-SJLPKXTDSA-N 2 0 321.465 2.825 20 0 DFADRP C[C@@H]1CC[N@H+](C[C@H](O)[C@@H]([NH3+])Cc2ccccc2)[C@@H]2CCCC[C@@H]12 ZINC000567897401 302397484 /nfs/dbraw/zinc/39/74/84/302397484.db2.gz FDFDEMDZKXVULK-ZKIDJSGLSA-N 2 0 316.489 2.818 20 0 DFADRP C[C@@H]([NH2+]CCOc1cccc(Cl)c1Cl)[C@@H]1CC[NH2+]C1 ZINC000568381406 302445289 /nfs/dbraw/zinc/44/52/89/302445289.db2.gz HEMGTCJVJYAPRG-GHMZBOCLSA-N 2 0 303.233 2.960 20 0 DFADRP C[C@@H](CCCC[NH3+])[NH2+][C@@H](CO)c1ccc(C(F)(F)F)cc1 ZINC000569211919 302505315 /nfs/dbraw/zinc/50/53/15/302505315.db2.gz VLNNMBVXAQOBGM-FZMZJTMJSA-N 2 0 304.356 2.846 20 0 DFADRP C[C@H]1[NH2+]CC[C@H]1C(=O)Nc1ccc(C[NH+]2CCC(C)CC2)cc1 ZINC000571204659 302608731 /nfs/dbraw/zinc/60/87/31/302608731.db2.gz QAUYAOCKOYDEJP-CRAIPNDOSA-N 2 0 315.461 2.855 20 0 DFADRP C[NH+](C)CCOc1ccccc1C[NH2+]C[C@H](O)C1CCCCC1 ZINC000572356358 302657366 /nfs/dbraw/zinc/65/73/66/302657366.db2.gz HBWSIKKGCGQVLG-SFHVURJKSA-N 2 0 320.477 2.658 20 0 DFADRP C[C@H]([NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1)c1ccc2c(c1)CCC(=O)N2 ZINC000573476326 302707058 /nfs/dbraw/zinc/70/70/58/302707058.db2.gz WSBGTPLSSKZRPM-KKBVYLPWSA-N 2 0 313.445 2.610 20 0 DFADRP CCO[C@@H]1C[C@H]([NH2+]Cc2cc(C3CC[NH2+]CC3)no2)C12CCC2 ZINC000574312135 302752194 /nfs/dbraw/zinc/75/21/94/302752194.db2.gz NVPRSOXDTJKLSN-DLBZAZTESA-N 2 0 319.449 2.579 20 0 DFADRP COCC1(C[NH2+][C@@H](C)c2ccc(C)cc2OC)CC[NH2+]CC1 ZINC000574442227 302759153 /nfs/dbraw/zinc/75/91/53/302759153.db2.gz YAIULGKTNVDCKA-HNNXBMFYSA-N 2 0 306.450 2.670 20 0 DFADRP C[C@H]([NH2+]CC1CC[NH+](CC(=O)NC(C)(C)C)CC1)C(C)(C)C ZINC000163536485 315876644 /nfs/dbraw/zinc/87/66/44/315876644.db2.gz WQCUDVAQPOWPIS-AWEZNQCLSA-N 2 0 311.514 2.637 20 0 DFADRP CC[NH+]1CCN([C@@H](C)C[NH2+][C@H]2CCCc3ccc(C)cc32)CC1 ZINC000166158508 315890579 /nfs/dbraw/zinc/89/05/79/315890579.db2.gz CDSWTXQNRVWVIS-PXNSSMCTSA-N 2 0 315.505 2.988 20 0 DFADRP CCc1ccc(C[NH+]2CCC(C[NH+]3CCOCC3)CC2)cc1 ZINC000172246976 315944763 /nfs/dbraw/zinc/94/47/63/315944763.db2.gz CWQRVPJBNWFKIL-UHFFFAOYSA-N 2 0 302.462 2.793 20 0 DFADRP C[C@H]([NH2+]CCCC[NH2+][C@@H](C)C1CCOCC1)C1CCOCC1 ZINC000179851891 316020130 /nfs/dbraw/zinc/02/01/30/316020130.db2.gz TYZJATAYHWRSNB-HOTGVXAUSA-N 2 0 312.498 2.576 20 0 DFADRP CC[C@H]1CCC[C@H](C[NH+]2CCN(CC[NH+]3CCCC3)CC2)C1 ZINC000182958132 316124003 /nfs/dbraw/zinc/12/40/03/316124003.db2.gz KGNVAFMDKOCPLG-OALUTQOASA-N 2 0 307.526 2.916 20 0 DFADRP CC[C@@H]1CCC[C@H](C[NH+]2CCN(CC[NH+]3CCCC3)CC2)C1 ZINC000182958116 316124601 /nfs/dbraw/zinc/12/46/01/316124601.db2.gz KGNVAFMDKOCPLG-MOPGFXCFSA-N 2 0 307.526 2.916 20 0 DFADRP CCC[C@@H]([NH2+]C[C@@H](C)N1CC[NH+](CC)CC1)c1cccnc1 ZINC000185021576 316177824 /nfs/dbraw/zinc/17/78/24/316177824.db2.gz DQVDFLHABIABEK-SJLPKXTDSA-N 2 0 304.482 2.538 20 0 DFADRP C[C@H]([NH2+]CCC(=O)NC1CCCC1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185749754 316191073 /nfs/dbraw/zinc/19/10/73/316191073.db2.gz HEKGKQKZRAETCX-HOTGVXAUSA-N 2 0 321.509 2.678 20 0 DFADRP [NH3+][C@H](CCC(=O)N1CC[C@H]([NH+]2CCCCC2)C1)c1ccccc1 ZINC000321394266 316256568 /nfs/dbraw/zinc/25/65/68/316256568.db2.gz OZNVQGFJCWYIST-ZWKOTPCHSA-N 2 0 315.461 2.553 20 0 DFADRP C[C@@H]1C[N@@H+]2CCCC[C@@H]2CN1C(=O)CC[C@H]([NH3+])c1ccccc1 ZINC000322156153 316258434 /nfs/dbraw/zinc/25/84/34/316258434.db2.gz ALABXJCUVCIYGG-NXHRZFHOSA-N 2 0 315.461 2.552 20 0 DFADRP C[C@H]([NH2+]CCC[N@@H+]1CCC[C@@H](C(N)=O)C1)c1ccc(Cl)cc1 ZINC000346098800 316318194 /nfs/dbraw/zinc/31/81/94/316318194.db2.gz LSGVYNFVYCPRRO-DZGCQCFKSA-N 2 0 323.868 2.578 20 0 DFADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]CCc2c(C)noc2C)[C@@H](C)C1 ZINC000346598441 316318846 /nfs/dbraw/zinc/31/88/46/316318846.db2.gz GABTYLNPFGUMNL-KSSFIOAISA-N 2 0 323.481 2.561 20 0 DFADRP Cc1[nH+]cc2n1CC[C@@H](c1nc(-c3ccn4c[nH+]cc4c3)no1)C2 ZINC000350474545 316391647 /nfs/dbraw/zinc/39/16/47/316391647.db2.gz PVPXKXHCSRRVIV-CYBMUJFWSA-N 2 0 320.356 2.619 20 0 DFADRP CC[C@@H]([NH2+]C1CC[NH+](CC(C)C)CC1)C1(C(=O)OC)CCC1 ZINC000353509112 316526658 /nfs/dbraw/zinc/52/66/58/316526658.db2.gz YXXVTNKAFXMLHZ-MRXNPFEDSA-N 2 0 310.482 2.818 20 0 DFADRP c1ccc(C2CCC([NH2+]CCCN3CC[NH2+]CC3)CC2)cc1 ZINC000414785375 316655341 /nfs/dbraw/zinc/65/53/41/316655341.db2.gz VHCQJRQPSKFPGR-UHFFFAOYSA-N 2 0 301.478 2.598 20 0 DFADRP CCOc1cc(C[NH2+][C@@H]2CCC[C@@H]2C[NH3+])ccc1OC(F)F ZINC000414788635 316657106 /nfs/dbraw/zinc/65/71/06/316657106.db2.gz DROLWSMRUBNGGO-CHWSQXEVSA-N 2 0 314.376 2.904 20 0 DFADRP COc1sc(C[NH2+][C@@H]2CCC[C@@H]2C[NH3+])cc1Br ZINC000414792008 316658893 /nfs/dbraw/zinc/65/88/93/316658893.db2.gz BUDYUGGIJGAHCB-LDYMZIIASA-N 2 0 319.268 2.736 20 0 DFADRP [NH3+]C[C@H]1CCC[C@@H]1[NH2+]Cc1ccc(Br)cc1F ZINC000414791681 316658961 /nfs/dbraw/zinc/65/89/61/316658961.db2.gz IEYSMIGCMITHKA-RNCFNFMXSA-N 2 0 301.203 2.805 20 0 DFADRP [NH3+]C[C@H]1CCC[C@H]1[NH2+]Cc1ccc(Br)cc1F ZINC000414791679 316659137 /nfs/dbraw/zinc/65/91/37/316659137.db2.gz IEYSMIGCMITHKA-NOZJJQNGSA-N 2 0 301.203 2.805 20 0 DFADRP [NH3+]C[C@@H]1CCC[C@H]1[NH2+]Cc1ccc(OCC(F)(F)F)c(F)c1 ZINC000414796338 316660805 /nfs/dbraw/zinc/66/08/05/316660805.db2.gz HOIXSBZMMQHBEN-WCQYABFASA-N 2 0 320.330 2.984 20 0 DFADRP CC[C@@H](C(=O)Nc1ncc(C2CC[NH2+]CC2)s1)[NH+](CC)CC ZINC000423951955 316783915 /nfs/dbraw/zinc/78/39/15/316783915.db2.gz PNHYSTRIHRTKMR-ZDUSSCGKSA-N 2 0 324.494 2.669 20 0 DFADRP Cc1cc([C@@H](C)NC(=O)CCC[NH+]2CCC([NH3+])CC2)c(C)s1 ZINC000433132115 316879151 /nfs/dbraw/zinc/87/91/51/316879151.db2.gz LUVIAHWYSIPUPR-CYBMUJFWSA-N 2 0 323.506 2.745 20 0 DFADRP Cc1ccc(NC(=O)CCC[NH+]2CCC([NH3+])CC2)cc1Cl ZINC000433145710 316881412 /nfs/dbraw/zinc/88/14/12/316881412.db2.gz RKJZVYVEJVLSBX-UHFFFAOYSA-N 2 0 309.841 2.790 20 0 DFADRP Cc1cc(C)c(NC(=O)CCC[NH+]2CCC([NH3+])CC2)c(C)c1 ZINC000433145980 316881540 /nfs/dbraw/zinc/88/15/40/316881540.db2.gz SRUBZXNKHQLYHL-UHFFFAOYSA-N 2 0 303.450 2.754 20 0 DFADRP C[C@H]1CC(C)(C)CC[C@H]1NC(=O)CCC[NH+]1CCC([NH3+])CC1 ZINC000433174607 316885769 /nfs/dbraw/zinc/88/57/69/316885769.db2.gz NLLIXAZESXGHDY-GOEBONIOSA-N 2 0 309.498 2.521 20 0 DFADRP Cc1cccc(NC(=O)C[C@H](C)[NH2+]C2CCC([NH3+])CC2)c1C ZINC000437772192 316935770 /nfs/dbraw/zinc/93/57/70/316935770.db2.gz JMRVIYIMASHVLE-JEYLPNPQSA-N 2 0 303.450 2.880 20 0 DFADRP Cc1nn(Cc2ccccc2)c(C)c1C[NH2+]C1CCC([NH3+])CC1 ZINC000437787640 316937324 /nfs/dbraw/zinc/93/73/24/316937324.db2.gz LKVSDVRVJKFELD-UHFFFAOYSA-N 2 0 312.461 2.908 20 0 DFADRP CCc1cc(N2CCC(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)cc[nH+]1 ZINC000450300449 317080980 /nfs/dbraw/zinc/08/09/80/317080980.db2.gz CXPHWTSNWAHJEU-IYBDPMFKSA-N 2 0 317.477 2.970 20 0 DFADRP CC[NH+]1CCN([C@H]2CC[N@H+](C[C@H]3CCCCC3(F)F)C2)CC1 ZINC000450392945 317088657 /nfs/dbraw/zinc/08/86/57/317088657.db2.gz PGWFRSBWCMJTGI-CVEARBPZSA-N 2 0 315.452 2.524 20 0 DFADRP CCc1cc(N2CCC([NH+]3CCN(C(C)C)CC3)CC2)cc[nH+]1 ZINC000450402809 317089968 /nfs/dbraw/zinc/08/99/68/317089968.db2.gz CLKXLWXYHNPWNR-UHFFFAOYSA-N 2 0 316.493 2.639 20 0 DFADRP CC[C@H]([NH2+]C1CCC([N@H+](C)Cc2ccccc2)CC1)C(=O)NC ZINC000453396313 317183197 /nfs/dbraw/zinc/18/31/97/317183197.db2.gz HLMGGBJZPUNZGG-ABHNRTSZSA-N 2 0 317.477 2.544 20 0 DFADRP C[N@H+](CCCC[NH2+]C1CCN(Cc2ccncc2)CC1)C1CC1 ZINC000453396363 317183399 /nfs/dbraw/zinc/18/33/99/317183399.db2.gz ILBBVWKSNLVKJO-UHFFFAOYSA-N 2 0 316.493 2.510 20 0 DFADRP Cc1cnc(CC[NH2+]C2CC[NH+](C3CCCCC3)CC2)cn1 ZINC000453406443 317183744 /nfs/dbraw/zinc/18/37/44/317183744.db2.gz QYJVEBBDOOKENJ-UHFFFAOYSA-N 2 0 302.466 2.714 20 0 DFADRP CCO[C@@H]1C[C@H]([NH2+]Cc2ccc(C[NH+](C)C)cc2)[C@@H]1SC ZINC000459380765 317324924 /nfs/dbraw/zinc/32/49/24/317324924.db2.gz QTXFTABXKYGSGQ-BBWFWOEESA-N 2 0 308.491 2.747 20 0 DFADRP COCCC[NH+]1CCC([NH2+][C@H]2CS[C@H](C(C)C)C2)CC1 ZINC000488435035 317392771 /nfs/dbraw/zinc/39/27/71/317392771.db2.gz QZHNPSBGYAZOGM-CVEARBPZSA-N 2 0 300.512 2.607 20 0 DFADRP CC(C)[NH+]1CCC(O)(C[NH2+][C@@H]2CS[C@H](C(C)(C)C)C2)CC1 ZINC000488434513 317392783 /nfs/dbraw/zinc/39/27/83/317392783.db2.gz PIJXNBPFXXIQFC-GJZGRUSLSA-N 2 0 314.539 2.732 20 0 DFADRP CC(C)(C)[C@@H]1C[C@H]([NH2+]CCCC[N@@H+]2CCC[C@H]2CO)CS1 ZINC000488454335 317394717 /nfs/dbraw/zinc/39/47/17/317394717.db2.gz YGUUZTKJKRGOEX-JYJNAYRXSA-N 2 0 314.539 2.733 20 0 DFADRP Fc1cccc(CCC[NH+]2CCC(CO[C@H]3CC[NH2+]C3)CC2)c1 ZINC000530240004 317777930 /nfs/dbraw/zinc/77/79/30/317777930.db2.gz JJCPDFLMDGTTRV-IBGZPJMESA-N 2 0 320.452 2.849 20 0 DFADRP COc1ccc(C(C)(C)C[NH2+][C@H]2CCC[C@@H]([NH3+])C2)cc1OC ZINC000573385699 318017346 /nfs/dbraw/zinc/01/73/46/318017346.db2.gz GJHOOHORHKVIEI-CABCVRRESA-N 2 0 306.450 2.841 20 0 DFADRP CC(C)C[N@@H+]1CCC[C@@H](C[NH2+]C[C@H](O)Cc2ccccc2)C1 ZINC000574512341 318022707 /nfs/dbraw/zinc/02/27/07/318022707.db2.gz LMADPDSPJXGEFZ-RBUKOAKNSA-N 2 0 304.478 2.548 20 0 DFADRP CC[NH2+]CC1CC[NH+](Cc2nc3ccccc3n2CC)CC1 ZINC000574637402 318029849 /nfs/dbraw/zinc/02/98/49/318029849.db2.gz AYBPCWJQMXYNDZ-UHFFFAOYSA-N 2 0 300.450 2.878 20 0 DFADRP C[C@H](CCc1n[nH]c2ccccc21)[NH2+]C[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000574739343 318037228 /nfs/dbraw/zinc/03/72/28/318037228.db2.gz MOKMWPLKPSFUGJ-RBSFLKMASA-N 2 0 300.450 2.991 20 0 DFADRP C[C@@H](C[NH2+]C1CC[NH+](C2CCCCC2)CC1)Cn1cccn1 ZINC000575019356 318057682 /nfs/dbraw/zinc/05/76/82/318057682.db2.gz SDBBZQMTQBRGLM-INIZCTEOSA-N 2 0 304.482 2.906 20 0 DFADRP COc1ccc(C[C@H](C)C[N@@H+]2CC[C@@H]3C[NH2+]C[C@@H]3C2)cc1F ZINC000575059148 318060243 /nfs/dbraw/zinc/06/02/43/318060243.db2.gz HWVKVNPNJILHJN-NUEKZKHPSA-N 2 0 306.425 2.554 20 0 DFADRP CC[C@H](C)NC(=O)c1cccc(C[NH2+][C@@H]2CCC[C@H]([NH3+])C2)c1 ZINC000575138182 318066340 /nfs/dbraw/zinc/06/63/40/318066340.db2.gz UAFQZGQBVUNADY-RRQGHBQHSA-N 2 0 303.450 2.574 20 0 DFADRP CC[C@H](C)NC(=O)c1cccc(C[NH2+][C@H]2CCC[C@H]([NH3+])C2)c1 ZINC000575138181 318066462 /nfs/dbraw/zinc/06/64/62/318066462.db2.gz UAFQZGQBVUNADY-JQFCIGGWSA-N 2 0 303.450 2.574 20 0 DFADRP CC[C@@H]([NH2+]Cc1nnc(C2CC[NH2+]CC2)[nH]1)C1CCCCC1 ZINC000575377480 318075357 /nfs/dbraw/zinc/07/53/57/318075357.db2.gz SDIYVNNTSLMSKJ-OAHLLOKOSA-N 2 0 305.470 2.720 20 0 DFADRP C[C@@H]([NH3+])c1ccc(CNC(=O)CC[C@H]([NH3+])c2ccccc2)cc1 ZINC000576211893 318111294 /nfs/dbraw/zinc/11/12/94/318111294.db2.gz LOLAHILDANIYTR-KDOFPFPSSA-N 2 0 311.429 2.803 20 0 DFADRP COc1ccc2c(c1)C[N@@H+](Cc1ccc3c(c1)C[NH2+]CC3)CC2 ZINC000576233198 318113136 /nfs/dbraw/zinc/11/31/36/318113136.db2.gz PPJQKAFTXXBKNM-UHFFFAOYSA-N 2 0 308.425 2.899 20 0 DFADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+]Cc1cccc2c1OC(F)(F)O2 ZINC000576368608 318121927 /nfs/dbraw/zinc/12/19/27/318121927.db2.gz FGUKMLTXRDQXPN-CNGMEFBOSA-N 2 0 310.344 2.614 20 0 DFADRP CCc1cccc(C[NH2+]C2CC[NH+]([C@H]3CCC[C@H]3O)CC2)c1 ZINC000576522761 318132080 /nfs/dbraw/zinc/13/20/80/318132080.db2.gz FWQFOKJWDQTFNJ-RBUKOAKNSA-N 2 0 302.462 2.716 20 0 DFADRP Fc1ccc([C@H]([NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)c2ncc[nH]2)cc1 ZINC000576976961 318163131 /nfs/dbraw/zinc/16/31/31/318163131.db2.gz WPYZZIVANCZOOV-ABFRBSLYSA-N 2 0 314.408 2.616 20 0 DFADRP CSC1(C[NH2+]C[C@H](O)[C@@H](C)c2ccccc2)CC[NH+](C)CC1 ZINC000577056743 318168458 /nfs/dbraw/zinc/16/84/58/318168458.db2.gz RNPUHQACSABSGW-RDJZCZTQSA-N 2 0 322.518 2.568 20 0 DFADRP CC(C)O[C@@H]1C[C@@H]([NH2+]Cc2cc(C3CC[NH2+]CC3)no2)C1(C)C ZINC000577274851 318182502 /nfs/dbraw/zinc/18/25/02/318182502.db2.gz WTGGQFXDVIBCLA-IAGOWNOFSA-N 2 0 321.465 2.823 20 0 DFADRP CC[N@H+](C)C[C@H](O)CN1CCC[C@H]1c1nc2ccccc2s1 ZINC000577343317 318185690 /nfs/dbraw/zinc/18/56/90/318185690.db2.gz LVXVYEAQEMDQTK-ZFWWWQNUSA-N 2 0 319.474 2.746 20 0 DFADRP C[C@@H]1C[C@H](C[NH2+]Cc2ccc(OCC(F)(F)F)nc2)CC[NH2+]1 ZINC000577363529 318188112 /nfs/dbraw/zinc/18/81/12/318188112.db2.gz OUMYYSXNXMZFQA-VXGBXAGGSA-N 2 0 317.355 2.500 20 0 DFADRP [NH3+][C@H]1CCC[C@@H]([NH2+]Cc2ccc(COC3CCOCC3)cc2)C1 ZINC000577527789 318199780 /nfs/dbraw/zinc/19/97/80/318199780.db2.gz BYYJVPKLLIQUKP-ZWKOTPCHSA-N 2 0 318.461 2.742 20 0 DFADRP CC1CC[NH+](CCc2cccc(NC(=O)C[NH2+]C3CC3)c2)CC1 ZINC000577741014 318214166 /nfs/dbraw/zinc/21/41/66/318214166.db2.gz QUUBNQNVTKFWEK-UHFFFAOYSA-N 2 0 315.461 2.652 20 0 DFADRP C[C@@H]1[C@@H]([NH2+]C[C@@H]2CCC[N@H+](C)C2)CCCN1Cc1ccccc1 ZINC000577873240 318223605 /nfs/dbraw/zinc/22/36/05/318223605.db2.gz UTKBFSPLTBOTIJ-HOJAQTOUSA-N 2 0 315.505 2.971 20 0 DFADRP Cc1ccc(C)c(OC[C@H](O)C[NH2+][C@H]2CCC[C@@H]([NH+](C)C)C2)c1 ZINC000578127173 318239725 /nfs/dbraw/zinc/23/97/25/318239725.db2.gz GGKYFOBNEQLAOF-RCCFBDPRSA-N 2 0 320.477 2.506 20 0 DFADRP C[C@@H]([NH2+]Cc1ccc2c(c1)C[NH2+]CC2)[C@H]1COc2ccccc21 ZINC000578137137 318240548 /nfs/dbraw/zinc/24/05/48/318240548.db2.gz UANCCHIRJLCPHL-AUUYWEPGSA-N 2 0 308.425 2.987 20 0 DFADRP C[C@H]1CN(C)CC[C@@H]1[N@H+](C)Cc1cc(-n2ccnc2)cs1 ZINC000578263972 318248928 /nfs/dbraw/zinc/24/89/28/318248928.db2.gz CABNNNNKYBSXJS-BBRMVZONSA-N 2 0 304.463 2.706 20 0 DFADRP Cc1ccccc1[C@@H](C)NC(=O)[C@H](C)[NH+]1CCC(CC[NH3+])CC1 ZINC000578329714 318254049 /nfs/dbraw/zinc/25/40/49/318254049.db2.gz LJKIKCJPLHOZKM-CVEARBPZSA-N 2 0 317.477 2.622 20 0 DFADRP Cc1cccc(NC[C@@H]2CC[N@H+](C[C@H]3CCCC[C@H]3O)C2)n1 ZINC000578421316 318259423 /nfs/dbraw/zinc/25/94/23/318259423.db2.gz KWYQRJWUVPIEKO-GVDBMIGSSA-N 2 0 303.450 2.675 20 0 DFADRP C[NH+]1CCC(Oc2ccc(C[NH2+][C@H]3CCC[C@H]([NH3+])C3)cc2)CC1 ZINC000578522821 318267182 /nfs/dbraw/zinc/26/71/82/318267182.db2.gz YBBYQRIZUHQKRO-IRXDYDNUSA-N 3 0 317.477 2.519 20 0 DFADRP C[NH+]1CCC(Oc2ccc(C[NH2+][C@@H]3CCC[C@@H]([NH3+])C3)cc2)CC1 ZINC000578522820 318267210 /nfs/dbraw/zinc/26/72/10/318267210.db2.gz YBBYQRIZUHQKRO-IAGOWNOFSA-N 3 0 317.477 2.519 20 0 DFADRP CC(C)[N@@H+]1CCC[C@@H](C[NH2+]C[C@@H](O)[C@H](C)c2ccccc2)C1 ZINC000578618586 318273228 /nfs/dbraw/zinc/27/32/28/318273228.db2.gz HXGUAVGJIYASFX-ZIFCJYIRSA-N 2 0 304.478 2.861 20 0 DFADRP CC[NH+]1CCN(Cc2ccc(N[C@@H]3CCC[C@H]([NH3+])C3)cc2)CC1 ZINC000579005299 318301398 /nfs/dbraw/zinc/30/13/98/318301398.db2.gz UNKBAXQVWGTJHG-PKOBYXMFSA-N 2 0 316.493 2.506 20 0 DFADRP Cc1ncncc1[C@H](C)[NH2+]CC1CCN(c2cc[nH+]cc2)CC1 ZINC000579025030 318302940 /nfs/dbraw/zinc/30/29/40/318302940.db2.gz WEDWJTFUONNYAP-AWEZNQCLSA-N 2 0 311.433 2.747 20 0 DFADRP COc1cncc(/C=C/CC[N@@H+]2CC[C@H](c3nccn3C)C2)c1 ZINC000579254452 318318422 /nfs/dbraw/zinc/31/84/22/318318422.db2.gz JTCBDAKCPOREIQ-WMHVBEDNSA-N 2 0 312.417 2.717 20 0 DFADRP C[C@H]([NH2+]Cc1nnc(C2CC[NH2+]CC2)[nH]1)C1CCCCCC1 ZINC000579343154 318323382 /nfs/dbraw/zinc/32/33/82/318323382.db2.gz JEXBKPRUQMTOGY-ZDUSSCGKSA-N 2 0 305.470 2.720 20 0 DFADRP CCOC(=O)[C@@H]1CC[C@H]([NH2+]C[C@@H]2CC[N@@H+](C(C)C)C2)C[C@@H]1C ZINC000579577879 318339859 /nfs/dbraw/zinc/33/98/59/318339859.db2.gz PSIWQQZCUDIDHW-LUKYLMHMSA-N 2 0 310.482 2.674 20 0 DFADRP C[C@@H]1CC[N@H+](CC(=O)Nc2cccc(CC[NH+](C)C3CC3)c2)C1 ZINC000579611487 318342816 /nfs/dbraw/zinc/34/28/16/318342816.db2.gz UGBDZZQRDGFAGY-OAHLLOKOSA-N 2 0 315.461 2.604 20 0 DFADRP [NH3+]Cc1ccc(C[NH2+]Cc2cc(Cl)c3c(c2)OCCO3)cc1 ZINC000579712182 318349214 /nfs/dbraw/zinc/34/92/14/318349214.db2.gz ONTBDSNELGPBKE-UHFFFAOYSA-N 2 0 318.804 2.860 20 0 DFADRP [NH3+][C@@H]1CCC[C@H]([NH2+]CCCc2nc(-c3ccc(F)cc3)no2)C1 ZINC000579733942 318351519 /nfs/dbraw/zinc/35/15/19/318351519.db2.gz PYWFGUXDHBISFV-CABCVRRESA-N 2 0 318.396 2.668 20 0 DFADRP CC(C)[NH+](CCCNC(=O)C[C@@H](C)C1CC[NH2+]CC1)C(C)C ZINC000579829450 318357171 /nfs/dbraw/zinc/35/71/71/318357171.db2.gz KGBZBDZJXOFBMC-MRXNPFEDSA-N 2 0 311.514 2.637 20 0 DFADRP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]C[C@@H]1CCCCN1Cc1ccccc1 ZINC000379632364 323290566 /nfs/dbraw/zinc/29/05/66/323290566.db2.gz SKWDZEMGDLOFSK-FHWLQOOXSA-N 2 0 301.478 2.758 20 0 DFADRP CC(C)[NH+]1CCC([NH2+][C@H](C)[C@@H](C)NC(=O)OC(C)(C)C)CC1 ZINC000381001175 323292444 /nfs/dbraw/zinc/29/24/44/323292444.db2.gz OOAOHPGKXJBIKP-ZIAGYGMSSA-N 2 0 313.486 2.751 20 0 DFADRP CC(C)[NH+]1CCC([NH2+][C@@H](C)[C@@H](C)NC(=O)OC(C)(C)C)CC1 ZINC000381001174 323293231 /nfs/dbraw/zinc/29/32/31/323293231.db2.gz OOAOHPGKXJBIKP-UONOGXRCSA-N 2 0 313.486 2.751 20 0 DFADRP C[C@@H]([NH2+][C@H]1C[C@@H](C)[N@H+](C)C[C@H]1C)[C@H](C)NC(=O)OC(C)(C)C ZINC000381524087 323295178 /nfs/dbraw/zinc/29/51/78/323295178.db2.gz YJABHOOPXKAIBL-ZSAUSMIDSA-N 2 0 313.486 2.606 20 0 DFADRP CCOC[C@H](C)[NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]12 ZINC000381784850 323295622 /nfs/dbraw/zinc/29/56/22/323295622.db2.gz HDJWJYCCVOSJKY-JCHJZTRSSA-N 2 0 302.462 2.912 20 0 DFADRP C[C@@H]1C[C@H](C[N@H+](C)C[C@H]2CC[NH+](Cc3ccccc3)C2)CC[NH2+]1 ZINC000382758239 323302294 /nfs/dbraw/zinc/30/22/94/323302294.db2.gz STAYUUDQHRPBJC-MISYRCLQSA-N 3 0 315.505 2.828 20 0 DFADRP C[C@H]1C[N@H+](C)CC[C@H]1[NH2+]CCc1ccc(Br)cc1 ZINC000383052264 323303140 /nfs/dbraw/zinc/30/31/40/323303140.db2.gz UNVSYVDAKWYUJG-SWLSCSKDSA-N 2 0 311.267 2.921 20 0 DFADRP CC[NH+](CC)Cc1cccc(NC(=O)[C@H]2CCC[NH2+][C@H]2C)c1 ZINC000384490364 323307098 /nfs/dbraw/zinc/30/70/98/323307098.db2.gz SVJHSAIYYWNUNX-YOEHRIQHSA-N 2 0 303.450 2.855 20 0 DFADRP c1csc(-c2nc(C[N@H+]3CC[C@H]4C[NH2+]C[C@H]4CC3)co2)c1 ZINC000386372729 323317649 /nfs/dbraw/zinc/31/76/49/323317649.db2.gz POVXMQVAUMFVPH-BETUJISGSA-N 2 0 303.431 2.835 20 0 DFADRP Cc1ccc(-c2n[nH]cc2C[NH2+]C[C@H]2CC[N@@H+](C(C)C)C2)o1 ZINC000386443810 323318899 /nfs/dbraw/zinc/31/88/99/323318899.db2.gz QRUHXRIXXFXWIG-CQSZACIVSA-N 2 0 302.422 2.798 20 0 DFADRP C[N@H+](Cc1ccccc1)C1(CN[C@H]2CCC[C@@H]([NH3+])C2)CCC1 ZINC000386835873 323321423 /nfs/dbraw/zinc/32/14/23/323321423.db2.gz IPOHAMXOZJTQAU-MSOLQXFVSA-N 2 0 301.478 2.901 20 0 DFADRP COc1cc(C[NH+]2CCC(CC[NH3+])CC2)ccc1OC(F)F ZINC000387025798 323321931 /nfs/dbraw/zinc/32/19/31/323321931.db2.gz DKEVJHJGZFSGKU-UHFFFAOYSA-N 2 0 314.376 2.857 20 0 DFADRP COc1ccc(C[NH2+]C(C)(C)CCC[NH+](C)C)c(OC)c1OC ZINC000387155734 323323095 /nfs/dbraw/zinc/32/30/95/323323095.db2.gz AOFHOTBULICHEY-UHFFFAOYSA-N 2 0 324.465 2.922 20 0 DFADRP COc1cc(C[NH2+]C(C)(C)CCC[NH+](C)C)cc(OC)c1OC ZINC000387290146 323323536 /nfs/dbraw/zinc/32/35/36/323323536.db2.gz HZWMAAQDVZBGKD-UHFFFAOYSA-N 2 0 324.465 2.922 20 0 DFADRP COc1cc(C[NH2+]C(C)(C)CCC[NH+](C)C)cc2c1OCCO2 ZINC000387323902 323323684 /nfs/dbraw/zinc/32/36/84/323323684.db2.gz NGRIPKLIRIZCHS-UHFFFAOYSA-N 2 0 322.449 2.676 20 0 DFADRP C[NH+](C)CCCC(C)(C)[NH2+]Cc1cnn(CC(F)(F)F)c1 ZINC000387334221 323324785 /nfs/dbraw/zinc/32/47/85/323324785.db2.gz OUXIEGHTJNTXSY-UHFFFAOYSA-N 2 0 306.376 2.655 20 0 DFADRP COc1ccc2c(c1)C[C@H]([NH2+]C[C@H]1CC[N@@H+](C(C)C)C1)CC2 ZINC000387574354 323326074 /nfs/dbraw/zinc/32/60/74/323326074.db2.gz OMBWQSTXVNXCNS-CRAIPNDOSA-N 2 0 302.462 2.872 20 0 DFADRP CCOc1cc(C[NH2+][C@@H]2CCN(CC)C2)ccc1OC(F)F ZINC000389189694 323333887 /nfs/dbraw/zinc/33/38/87/323333887.db2.gz UNIJPJLRHYNSOF-CYBMUJFWSA-N 2 0 314.376 2.871 20 0 DFADRP COc1ccc(C[NH+](C)C)cc1NC(=O)C[C@@H]1CCCC[C@H]1[NH3+] ZINC000391723563 323346501 /nfs/dbraw/zinc/34/65/01/323346501.db2.gz FBJGETMAVPUDMR-LSDHHAIUSA-N 2 0 319.449 2.603 20 0 DFADRP CC1CC[NH+](CCC[NH2+]C2CCC(O)(C(F)(F)F)CC2)CC1 ZINC000396380803 323353416 /nfs/dbraw/zinc/35/34/16/323353416.db2.gz VODPUCAOKUPJDK-UHFFFAOYSA-N 2 0 322.415 2.934 20 0 DFADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+][C@H]1CCO[C@H](c2cncn2C)C1 ZINC000581245738 323495864 /nfs/dbraw/zinc/49/58/64/323495864.db2.gz UWZLZLHNDNQWDZ-CVYDXHPNSA-N 2 0 320.481 2.541 20 0 DFADRP COc1ccc([C@@H](C)[NH2+]CCOCC[NH+](C)C)cc1Cl ZINC000581422884 323520750 /nfs/dbraw/zinc/52/07/50/323520750.db2.gz ABPYRSHNRQSSNV-GFCCVEGCSA-N 2 0 300.830 2.577 20 0 DFADRP CC1CC[NH+](Cc2ccc(NC(=O)[C@@]3(C)CCC[NH2+]3)cc2)CC1 ZINC000582492212 323682770 /nfs/dbraw/zinc/68/27/70/323682770.db2.gz QYWVWHUOVVGFJL-LJQANCHMSA-N 2 0 315.461 2.999 20 0 DFADRP COC[C@@](C)(O)C[NH2+]C1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC000582527232 323686785 /nfs/dbraw/zinc/68/67/85/323686785.db2.gz UWTDCGNTIUGUKX-SFHVURJKSA-N 2 0 314.514 2.653 20 0 DFADRP CC(C)CC[NH+]1CCC(C[NH2+]C[C@@](C)(O)C(F)(F)F)CC1 ZINC000583867118 323926044 /nfs/dbraw/zinc/92/60/44/323926044.db2.gz SLZLBOWQUUHXQA-CQSZACIVSA-N 2 0 310.404 2.647 20 0 DFADRP CC[N@@H+]1CC[C@H](C[NH2+][C@@H](C)c2cncc(Br)c2)C1 ZINC000584540620 337359616 /nfs/dbraw/zinc/35/96/16/337359616.db2.gz GGCJHRDQARHWHO-NWDGAFQWSA-N 2 0 312.255 2.837 20 0 DFADRP C[N@H+](CCC[NH3+])Cc1cn(-c2ccccc2)nc1-c1cccnc1 ZINC000584594036 337373685 /nfs/dbraw/zinc/37/36/85/337373685.db2.gz QWKZFUUVBYVAJX-UHFFFAOYSA-N 2 0 321.428 2.715 20 0 DFADRP C[C@H](CC[NH+]1CCN(C)CC1)Nc1cc[nH+]c2cc(F)ccc12 ZINC000302294217 533918492 /nfs/dbraw/zinc/91/84/92/533918492.db2.gz XCGXBBYVUOUBSD-CQSZACIVSA-N 2 0 316.424 2.812 20 0 DFADRP C[C@H](CCO)CC[NH2+][C@@H](C)c1ccc(OCC[NH+](C)C)cc1 ZINC000297461264 533964192 /nfs/dbraw/zinc/96/41/92/533964192.db2.gz XVYDDCRVEWRYIW-HOTGVXAUSA-N 2 0 308.466 2.686 20 0 DFADRP Cc1cc2ccccc2c(NC2CCN(CC[NH+](C)C)CC2)[nH+]1 ZINC000302026259 534118418 /nfs/dbraw/zinc/11/84/18/534118418.db2.gz GWQNHJFHWYONHM-UHFFFAOYSA-N 2 0 312.461 2.981 20 0 DFADRP c1cc(N2CCC([NH2+][C@@H]3CCC[C@H]4OCC[C@@H]43)CC2)cc[nH+]1 ZINC000297320353 534468795 /nfs/dbraw/zinc/46/87/95/534468795.db2.gz CFUYKNRXOHUPHW-KZNAEPCWSA-N 2 0 301.434 2.598 20 0 DFADRP CC[NH+](CC)CCC[N@H+](C)C1CCN(Cc2cc(C)no2)CC1 ZINC000365189391 520591550 /nfs/dbraw/zinc/59/15/50/520591550.db2.gz BOORTWPZENBFDD-UHFFFAOYSA-N 2 0 322.497 2.611 20 0 DFADRP Cc1ccc2[nH+]ccc(N[C@H](C)CC[NH+]3CCN(C)CC3)c2c1 ZINC000302274991 534523085 /nfs/dbraw/zinc/52/30/85/534523085.db2.gz SRPDIZWUYDHPJF-MRXNPFEDSA-N 2 0 312.461 2.981 20 0 DFADRP CCC[C@H]([NH3+])C(=O)NC[C@@H]1CC[N@H+](C)[C@@H]1c1cccc(Cl)c1 ZINC000366330346 521112215 /nfs/dbraw/zinc/11/22/15/521112215.db2.gz QTKUIVYYRNREFN-CWRNSKLLSA-N 2 0 323.868 2.576 20 0 DFADRP CCOC(C[NH+]1CCC2(C[C@H]2C[N@H+](C)C2CC2)CC1)OCC ZINC000364915350 521631212 /nfs/dbraw/zinc/63/12/12/521631212.db2.gz OARQTTKSVBAIFU-HNNXBMFYSA-N 2 0 310.482 2.582 20 0 DFADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CC2CCSCC2)[C@@H](C)C1 ZINC000361396093 521706707 /nfs/dbraw/zinc/70/67/07/521706707.db2.gz DIBRLSSMBIYSIE-DOTOQJQBSA-N 2 0 314.539 2.856 20 0 DFADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CC2CCSCC2)[C@H](C)C1 ZINC000361396094 521707070 /nfs/dbraw/zinc/70/70/70/521707070.db2.gz DIBRLSSMBIYSIE-NVXWUHKLSA-N 2 0 314.539 2.856 20 0 DFADRP C[NH+](C)CCSC[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000368498643 521806889 /nfs/dbraw/zinc/80/68/89/521806889.db2.gz JLTODXLFQHQWOA-QGZVFWFLSA-N 2 0 308.491 2.572 20 0 DFADRP C[NH+]1CCC(N2CC[C@H]([NH2+]Cc3sccc3Cl)C2)CC1 ZINC000365939544 523771705 /nfs/dbraw/zinc/77/17/05/523771705.db2.gz ARSABQVJTWTRBH-LBPRGKRZSA-N 2 0 313.898 2.660 20 0 DFADRP CN1CC[NH+](CC2(C)CC[NH+](CC3CCCCC3)CC2)CC1 ZINC000363804826 523895608 /nfs/dbraw/zinc/89/56/08/523895608.db2.gz WKJRKBNNYNGULH-UHFFFAOYSA-N 2 0 307.526 2.916 20 0 DFADRP C[C@@H](CCc1cccc(F)c1)[NH2+]CCCN1CCC[N@H+](C)CC1 ZINC000128384797 524527582 /nfs/dbraw/zinc/52/75/82/524527582.db2.gz SDXIKPYCYBQEQW-KRWDZBQOSA-N 2 0 321.484 2.764 20 0 DFADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]C[C@@H]1Cc2ccccc2N(C)C1 ZINC000364852653 524913664 /nfs/dbraw/zinc/91/36/64/524913664.db2.gz ICRFNZGTFWRSIX-XLMAVXFVSA-N 2 0 301.478 2.613 20 0 DFADRP C[C@@H]1C[N@H+](C[C@H]2CCCO2)CC[C@@H]1[NH2+]CCc1ccccc1F ZINC000363834629 524975662 /nfs/dbraw/zinc/97/56/62/524975662.db2.gz RXDRASJDEXNUNV-SUMDDJOVSA-N 2 0 320.452 2.847 20 0 DFADRP C[C@@H]([NH2+]C1CCC([NH+]2CCC(C)CC2)CC1)c1ccc(=O)[nH]n1 ZINC000365118669 525397418 /nfs/dbraw/zinc/39/74/18/525397418.db2.gz WGKNGEHBTFOTBS-QQFBHYJXSA-N 2 0 318.465 2.876 20 0 DFADRP C[C@H](C(=O)N1CCC([NH2+]C2CCCC2)CC1)[NH+]1CCCCCC1 ZINC000365647885 525956920 /nfs/dbraw/zinc/95/69/20/525956920.db2.gz RJAFERLRNKISPZ-MRXNPFEDSA-N 2 0 321.509 2.774 20 0 DFADRP C[C@H](c1cnccn1)[N@H+](C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000364176015 526163674 /nfs/dbraw/zinc/16/36/74/526163674.db2.gz ZBJUNTFCRMPTRS-OAHLLOKOSA-N 2 0 311.433 2.781 20 0 DFADRP CC(C)c1ccc([C@H]([NH3+])CNC(=O)[C@@H]2CC[NH2+][C@H]2C(C)C)cc1 ZINC000295002586 528143834 /nfs/dbraw/zinc/14/38/34/528143834.db2.gz IGXFZPBSJCTRTE-KURKYZTESA-N 2 0 317.477 2.560 20 0 DFADRP CC(C)[C@@H]([NH3+])C(=O)NCC1([NH2+][C@H](C)c2ccccc2)CCCC1 ZINC000292549664 528497353 /nfs/dbraw/zinc/49/73/53/528497353.db2.gz SLJVVCJXCFHJAM-NVXWUHKLSA-N 2 0 317.477 2.750 20 0 DFADRP CCN(CC)C(=[NH2+])NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000361802120 535391765 /nfs/dbraw/zinc/39/17/65/535391765.db2.gz AAKYJVHAXGIXGV-KRWDZBQOSA-N 2 0 302.466 2.765 20 0 DFADRP CCOc1ccc(C(C)=O)cc1C[NH+]1CCC([C@H](C)[NH3+])CC1 ZINC000262009133 535710300 /nfs/dbraw/zinc/71/03/00/535710300.db2.gz WFOLNCLVBCDQOD-ZDUSSCGKSA-N 2 0 304.434 2.847 20 0 DFADRP CC[C@@H]([NH2+]CC1CCN(c2cc[nH+]cc2)CC1)[C@@H]1CCOC1 ZINC000357850364 535803276 /nfs/dbraw/zinc/80/32/76/535803276.db2.gz LMZZHPBVCZOQFP-SJLPKXTDSA-N 2 0 303.450 2.703 20 0 DFADRP CC[C@H](C)[C@@H]([NH3+])C(=O)NC[C@H](c1ccsc1)[NH+](CC)CC ZINC000262177844 535848030 /nfs/dbraw/zinc/84/80/30/535848030.db2.gz RLTALRHSJVRQFD-NWANDNLSSA-N 2 0 311.495 2.621 20 0 DFADRP CCc1cccc(F)c1C[NH2+]CCCC[N@@H+]1CCC[C@@H]1CO ZINC000354351104 535889970 /nfs/dbraw/zinc/88/99/70/535889970.db2.gz JOYLWKFMZIYTEJ-MRXNPFEDSA-N 2 0 308.441 2.715 20 0 DFADRP C[NH+](C)Cc1ccccc1CNC(=O)[C@H]([NH3+])CC1CCCCC1 ZINC000261618891 536047552 /nfs/dbraw/zinc/04/75/52/536047552.db2.gz BXTYHVGQDMBHHN-GOSISDBHSA-N 2 0 317.477 2.662 20 0 DFADRP C[N@H+](CCC1CC[NH2+]CC1)C1CCN(Cc2ccccc2)CC1 ZINC000261555957 536323179 /nfs/dbraw/zinc/32/31/79/536323179.db2.gz VLWCOWBHMAKGED-UHFFFAOYSA-N 2 0 315.505 2.973 20 0 DFADRP C[NH+]1CCC2(CCC[N@@H+]2Cc2cc(-n3ccnc3)cs2)CC1 ZINC000355047109 536349091 /nfs/dbraw/zinc/34/90/91/536349091.db2.gz XJDXKTYAGDFKIK-UHFFFAOYSA-N 2 0 316.474 2.994 20 0 DFADRP C[NH2+]CCc1ccccc1C(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000261854566 536447034 /nfs/dbraw/zinc/44/70/34/536447034.db2.gz JTZOFAOOXZWKHZ-UHFFFAOYSA-N 2 0 311.429 2.762 20 0 DFADRP CO[C@]1(C(F)(F)F)CCCN(CC[C@@H]2CCCC[N@@H+]2C)C1 ZINC000682036920 545780034 /nfs/dbraw/zinc/78/00/34/545780034.db2.gz HLWVPRHBWQGXBA-UONOGXRCSA-N 2 0 308.388 2.904 20 0 DFADRP C[N@@H+]1CCCC[C@@H]1CN1CC[NH+]([C@@H]2CCc3ccccc32)CC1 ZINC000682076609 545790908 /nfs/dbraw/zinc/79/09/08/545790908.db2.gz XPDFFBOGTLNUTK-UYAOXDASSA-N 2 0 313.489 2.776 20 0 DFADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)Nc1ccc(C2CC2)cc1 ZINC000682231541 545821057 /nfs/dbraw/zinc/82/10/57/545821057.db2.gz OXGWHXSJQLVFND-UHFFFAOYSA-N 2 0 318.465 2.521 20 0 DFADRP C[C@H]([NH2+]CCCC[NH+]1CCN(C)CC1)C1CCC(F)(F)CC1 ZINC000682732796 545907352 /nfs/dbraw/zinc/90/73/52/545907352.db2.gz QIZJXGUZKWFIDS-HNNXBMFYSA-N 2 0 317.468 2.818 20 0 DFADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+]Cc2cc3ccccc3[nH]2)CC1 ZINC000683927140 546121702 /nfs/dbraw/zinc/12/17/02/546121702.db2.gz LJWOCRNHAQWELY-INIZCTEOSA-N 2 0 314.477 2.531 20 0 DFADRP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)Cc2cc3ccccc3[nH]2)CC1 ZINC000684022078 546136886 /nfs/dbraw/zinc/13/68/86/546136886.db2.gz FDWRZENCSPJANR-OAHLLOKOSA-N 2 0 315.461 2.693 20 0 DFADRP C[NH+]1CCN(C(C)(C)C[NH2+][C@H](c2cccnc2)C2CCC2)CC1 ZINC000684611538 546252972 /nfs/dbraw/zinc/25/29/72/546252972.db2.gz HLBHGFSOPMIJEQ-SFHVURJKSA-N 2 0 316.493 2.538 20 0 DFADRP CCC(=O)N1CCC([NH2+]C[C@@H]2CCC[N@@H+]2C2CCCCC2)CC1 ZINC000684768066 546276981 /nfs/dbraw/zinc/27/69/81/546276981.db2.gz FISWOCDPNYIFRY-SFHVURJKSA-N 2 0 321.509 2.774 20 0 DFADRP C[N@H+](Cc1ccc(OCC[NH+]2CCCC2)cc1)[C@H]1CCCOC1 ZINC000685438619 546349192 /nfs/dbraw/zinc/34/91/92/546349192.db2.gz JXPRWUJVYOTMHS-SFHVURJKSA-N 2 0 318.461 2.772 20 0 DFADRP C[NH+](C)CCN(CC[NH+](C)C)Cc1ccc(-c2ccccc2)o1 ZINC000685457135 546353394 /nfs/dbraw/zinc/35/33/94/546353394.db2.gz VMMZPESWQZHZOX-UHFFFAOYSA-N 2 0 315.461 2.872 20 0 DFADRP CCOC1CC([N@H+](C)Cc2ccc(OCC[NH+](C)C)cc2)C1 ZINC000685472395 546357926 /nfs/dbraw/zinc/35/79/26/546357926.db2.gz ZONNKXCLHPPXSE-UHFFFAOYSA-N 2 0 306.450 2.626 20 0 DFADRP COCC[C@H](COC)[NH2+][C@H]1CN(Cc2ccccc2)C(C)(C)C1 ZINC000685664054 546383578 /nfs/dbraw/zinc/38/35/78/546383578.db2.gz AXHGWVLWCBDUOB-QZTJIDSGSA-N 2 0 320.477 2.681 20 0 DFADRP C[C@@H]1C[N@H+](CCC[NH2+][C@@H]2CCCOc3ccccc32)CCCO1 ZINC000278608234 214272755 /nfs/dbraw/zinc/27/27/55/214272755.db2.gz RDRJGBHNUZBNMH-SJLPKXTDSA-N 2 0 318.461 2.991 20 0 DFADRP C[C@@H]1C[N@@H+](C2CCOCC2)CCN1c1cc[nH+]c2ccccc21 ZINC000278649075 214301160 /nfs/dbraw/zinc/30/11/60/214301160.db2.gz BCDNVGNAHCNWDN-OAHLLOKOSA-N 2 0 311.429 2.924 20 0 DFADRP OC1CCC([NH2+][C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]23)CC1 ZINC000305861046 231076742 /nfs/dbraw/zinc/07/67/42/231076742.db2.gz LUHLBRUZSLPQSK-RDLPGAODSA-N 2 0 314.473 2.790 20 0 DFADRP C[C@H]([NH2+]C[C@]1(C)CC[N@H+](Cc2ccccc2)C1)[C@H]1CCOC1 ZINC000309697578 231102731 /nfs/dbraw/zinc/10/27/31/231102731.db2.gz FLABFVJRIGUMIV-WDSOQIARSA-N 2 0 302.462 2.913 20 0 DFADRP COc1cc2[nH+]ccc(N3CCC([NH+](C)C)CC3)c2cc1OC ZINC000413084818 295675012 /nfs/dbraw/zinc/67/50/12/295675012.db2.gz APDVBUVRCGPRIG-UHFFFAOYSA-N 2 0 315.417 2.782 20 0 DFADRP Cc1cc(C)n(CCC[NH2+][C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)n1 ZINC000318487785 231170270 /nfs/dbraw/zinc/17/02/70/231170270.db2.gz ROCAYGCNXKYRRW-RCCFBDPRSA-N 2 0 304.482 2.790 20 0 DFADRP Cc1ccc(OCCC[NH+]2CCC(OCCC[NH3+])CC2)cc1C ZINC000321515077 231203634 /nfs/dbraw/zinc/20/36/34/231203634.db2.gz KPSJATNJTBBFTP-UHFFFAOYSA-N 2 0 320.477 2.902 20 0 DFADRP C[N@H+](Cc1ccccc1)[C@H]1CCN(CC[NH+]2CCCCC2)C1 ZINC000081534430 398357647 /nfs/dbraw/zinc/35/76/47/398357647.db2.gz XMNGROZXPYVHHX-IBGZPJMESA-N 2 0 301.478 2.679 20 0 DFADRP CCc1c(C)[nH+]c2ccccc2c1N1CC[NH+](C[C@@H](C)O)CC1 ZINC000302568536 529491376 /nfs/dbraw/zinc/49/13/76/529491376.db2.gz XTVMGWBGLYLQOG-CQSZACIVSA-N 2 0 313.445 2.608 20 0 DFADRP COc1ccc(Br)c(C[NH2+]CCCC[NH+](C)C)c1 ZINC000087788073 185231649 /nfs/dbraw/zinc/23/16/49/185231649.db2.gz DWWKYCYKFZJBSQ-UHFFFAOYSA-N 2 0 315.255 2.889 20 0 DFADRP CCc1cc(N2CC[N@H+](CCO)C(C)(C)C2)c2ccccc2[nH+]1 ZINC000302500955 529535163 /nfs/dbraw/zinc/53/51/63/529535163.db2.gz CSIRHCVYBUDBSO-UHFFFAOYSA-N 2 0 313.445 2.690 20 0 DFADRP COc1ccc(C[NH2+]C[C@@H]2CCCN2C)cc1OCC(C)C ZINC000237184101 398367536 /nfs/dbraw/zinc/36/75/36/398367536.db2.gz MXKPDUFSCKTXGD-INIZCTEOSA-N 2 0 306.450 2.914 20 0 DFADRP Cc1cc(C)c(C[NH2+]CCCN2CCC[N@@H+](C)CC2)c(C)c1 ZINC000237110446 398368035 /nfs/dbraw/zinc/36/80/35/398368035.db2.gz LWCQRHLWTYIBGY-UHFFFAOYSA-N 2 0 303.494 2.729 20 0 DFADRP C[C@H]1CCCC[N@@H+]1CCCNC(=O)CC[C@@H]([NH3+])c1ccccc1 ZINC000237503938 398370818 /nfs/dbraw/zinc/37/08/18/398370818.db2.gz CRCDEIDKHSHSKF-FUHWJXTLSA-N 2 0 317.477 2.847 20 0 DFADRP C[N@H+](Cc1ccco1)Cc1ccccc1C[NH2+][C@H]1CCOC1 ZINC000088734679 185263556 /nfs/dbraw/zinc/26/35/56/185263556.db2.gz JOKBHHNMNGRUNC-KRWDZBQOSA-N 2 0 300.402 2.790 20 0 DFADRP C[C@@H]([NH2+]Cc1ccc(C(=O)NCC[NH+](C)C)cc1)C1CCCC1 ZINC000090038625 185279165 /nfs/dbraw/zinc/27/91/65/185279165.db2.gz PGUNONDVUGARDX-OAHLLOKOSA-N 2 0 317.477 2.646 20 0 DFADRP CC(C)[C@H](C[NH2+]CCc1ccc(Cl)cc1)N1CC[NH+](C)CC1 ZINC000459361360 299088290 /nfs/dbraw/zinc/08/82/90/299088290.db2.gz FMKRFKCQDYFTOU-SFHVURJKSA-N 2 0 323.912 2.744 20 0 DFADRP Cc1ccc2c(c1)[C@@H]([NH2+]C[C@H](C)CN1CC[NH+](C)CC1)CCC2 ZINC000166492646 197694445 /nfs/dbraw/zinc/69/44/45/197694445.db2.gz FUICLKAIMUCRDI-PXNSSMCTSA-N 2 0 315.505 2.846 20 0 DFADRP CC[NH+](CC)[C@@H](CNC1CC[NH+](C2CC2)CC1)c1ccco1 ZINC000459387983 299093436 /nfs/dbraw/zinc/09/34/36/299093436.db2.gz KKNGPSACSWVUIG-KRWDZBQOSA-N 2 0 305.466 2.879 20 0 DFADRP C[NH+]1CCN(c2ncccc2C[NH2+]C2CC(C(C)(C)C)C2)CC1 ZINC000459393952 299094872 /nfs/dbraw/zinc/09/48/72/299094872.db2.gz WMLFNGZYAYMIHY-UHFFFAOYSA-N 2 0 316.493 2.748 20 0 DFADRP C[NH+](C)[C@H]1CCCN(C(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC000365307635 282254287 /nfs/dbraw/zinc/25/42/87/282254287.db2.gz JGUVIISWFRUPQV-SJORKVTESA-N 2 0 321.509 2.584 20 0 DFADRP COC(=O)CCC[N@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000092821378 185343769 /nfs/dbraw/zinc/34/37/69/185343769.db2.gz VQPLHTDZCUFMOV-UHFFFAOYSA-N 2 0 319.449 2.573 20 0 DFADRP CCOC(=O)[C@H](C)[N@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000092821020 185343773 /nfs/dbraw/zinc/34/37/73/185343773.db2.gz CHCTUJWJCMCMPV-HNNXBMFYSA-N 2 0 319.449 2.572 20 0 DFADRP COc1ccc([C@@H](C)[NH2+]CCCC[N@@H+]2CCC[C@@H]2CO)cc1C ZINC000272820629 210220198 /nfs/dbraw/zinc/22/01/98/210220198.db2.gz CZLDEJAVCIUJTF-SJLPKXTDSA-N 2 0 320.477 2.891 20 0 DFADRP CC(C)[C@H]1CN([C@H]2CC[NH+](Cc3ccccc3)C2)CC[N@@H+]1C ZINC000459410167 299098956 /nfs/dbraw/zinc/09/89/56/299098956.db2.gz BZBFFHGIFUYAMR-RBUKOAKNSA-N 2 0 301.478 2.533 20 0 DFADRP CCC[NH+]1CCC(C[NH2+][C@@H]2C[C@H](OCC)[C@H]2SC)CC1 ZINC000459405400 299098644 /nfs/dbraw/zinc/09/86/44/299098644.db2.gz KATCRRQHHSOXAZ-PMPSAXMXSA-N 2 0 300.512 2.607 20 0 DFADRP CCn1nc(C)c(C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)c1C ZINC000584714893 398401359 /nfs/dbraw/zinc/40/13/59/398401359.db2.gz MKEVWDQPSXJYRP-CGTJXYLNSA-N 2 0 304.482 2.920 20 0 DFADRP CCn1nncc1C[NH+]1CCC(CCC[NH+](CC)CC)CC1 ZINC000459415178 299100556 /nfs/dbraw/zinc/10/05/56/299100556.db2.gz TYTFZGNNBSFNFX-UHFFFAOYSA-N 2 0 307.486 2.632 20 0 DFADRP C[NH+](C)C1(CNC(=O)[C@](C)([NH3+])c2ccccc2)CCCCCC1 ZINC000278180878 214008220 /nfs/dbraw/zinc/00/82/20/214008220.db2.gz DLMUMUBZNCOSOU-GOSISDBHSA-N 2 0 317.477 2.631 20 0 DFADRP C[NH+](C)CCNC(=O)c1cccc(C[NH2+]C2CCCCCC2)c1 ZINC000066994663 398412361 /nfs/dbraw/zinc/41/23/61/398412361.db2.gz LKKNLMNZBGTIPA-UHFFFAOYSA-N 2 0 317.477 2.790 20 0 DFADRP CCO[C@@H]1C[C@H]([NH2+]C[C@@H]2CCC[N@@H+](C(C)C)C2)[C@@H]1SC ZINC000459427344 299103501 /nfs/dbraw/zinc/10/35/01/299103501.db2.gz NCJRTEJTLVRNEQ-JONQDZQNSA-N 2 0 300.512 2.605 20 0 DFADRP CC[NH+](CC)[C@H](C(=O)NCCC[NH+]1CCCC1)c1ccccc1 ZINC000067246039 398424739 /nfs/dbraw/zinc/42/47/39/398424739.db2.gz WRDSDJGGCFZTPW-SFHVURJKSA-N 2 0 317.477 2.672 20 0 DFADRP CCOC(=O)c1ccc(C[N@@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)o1 ZINC000592433628 398425735 /nfs/dbraw/zinc/42/57/35/398425735.db2.gz MOCJTZCNCLQNFW-LSDHHAIUSA-N 2 0 320.433 2.668 20 0 DFADRP C[N@H+](CCCNC(=O)[C@H]1[NH2+]CCCC1(C)C)C1CCCCC1 ZINC000319624545 529891224 /nfs/dbraw/zinc/89/12/24/529891224.db2.gz FSJAHEOPKTZIJL-MRXNPFEDSA-N 2 0 309.498 2.535 20 0 DFADRP CC[NH+](CC)[C@H](CNC(=O)[C@@H]1CCC[C@H]([NH3+])C1)c1ccsc1 ZINC000262263070 398430774 /nfs/dbraw/zinc/43/07/74/398430774.db2.gz GWALBDDQXDMJMC-VNQPRFMTSA-N 2 0 323.506 2.765 20 0 DFADRP C[NH+](C)[C@H](CNC(=O)[C@@H]1C[C@H]2CCCC[C@H]2[NH2+]1)C1CCCCC1 ZINC000262658179 398433474 /nfs/dbraw/zinc/43/34/74/398433474.db2.gz DVHFCEFZGKQFFF-ZJPYXAASSA-N 2 0 321.509 2.534 20 0 DFADRP CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)C[C@H](C)C1CC[NH2+]CC1 ZINC000263240711 398434152 /nfs/dbraw/zinc/43/41/52/398434152.db2.gz GGBIDKKKHIYRAD-FUHWJXTLSA-N 2 0 323.525 2.783 20 0 DFADRP CC[NH+](CC)[C@H](C(=O)N[C@H](C)CC[NH+](C)C)c1ccccc1 ZINC000067483181 398437120 /nfs/dbraw/zinc/43/71/20/398437120.db2.gz DTIBZXWLBYGQCE-WBVHZDCISA-N 2 0 305.466 2.526 20 0 DFADRP CCO[C@@H]1C[C@H]([NH2+]CCC[NH+](C(C)C)C(C)C)[C@@H]1SC ZINC000459451857 299109742 /nfs/dbraw/zinc/10/97/42/299109742.db2.gz ZMBZHMXVURZVTM-XHSDSOJGSA-N 2 0 302.528 2.994 20 0 DFADRP C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC2CC[NH+](C3CC3)CC2)C1 ZINC000459464201 299112945 /nfs/dbraw/zinc/11/29/45/299112945.db2.gz IGMPRVZZLMGWCM-IYBDPMFKSA-N 3 0 307.526 2.959 20 0 DFADRP C[C@@H](NC1CC[NH+](C2CC2)CC1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000459466172 299113449 /nfs/dbraw/zinc/11/34/49/299113449.db2.gz OSCLWSOCZSIQLX-HZPDHXFCSA-N 2 0 305.510 2.856 20 0 DFADRP C[N@@H+]1CC[C@H]([NH2+]CCCCC(=O)OC(C)(C)C)[C@@H]2CCC[C@@H]21 ZINC000586791444 398460308 /nfs/dbraw/zinc/46/03/08/398460308.db2.gz CNPBVBYWEWYDPS-JYJNAYRXSA-N 2 0 310.482 2.961 20 0 DFADRP CCO[C@@H]1C[C@@H]([NH2+]CC(C)(C)C[NH+]2CCCC2)[C@H]1SC ZINC000459516749 299123641 /nfs/dbraw/zinc/12/36/41/299123641.db2.gz IIJJEMIQGCONSU-RBSFLKMASA-N 2 0 300.512 2.607 20 0 DFADRP COc1ccc(OC)c(CCC[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000090888326 398495811 /nfs/dbraw/zinc/49/58/11/398495811.db2.gz LJNCNAURCIFYFW-DLBZAZTESA-N 2 0 318.461 2.853 20 0 DFADRP OCCC[NH2+][C@@H]1CCCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000279612119 215004833 /nfs/dbraw/zinc/00/48/33/215004833.db2.gz QZGQBOJMUJVGIK-GBESFXJTSA-N 2 0 302.462 2.649 20 0 DFADRP C[C@@H]1C[C@@H](NC[C@@H]2CCC[NH+]2C)CC[N@@H+]1Cc1ccccc1 ZINC000272662359 210066884 /nfs/dbraw/zinc/06/68/84/210066884.db2.gz IGYKJEJUIXMDDT-NEWSRXKRSA-N 2 0 301.478 2.723 20 0 DFADRP CCN1CC[NH+](CCCC[NH2+][C@@H](c2cccnc2)C(C)C)CC1 ZINC000091285199 398524918 /nfs/dbraw/zinc/52/49/18/398524918.db2.gz AGHGGFDXQRVXNR-LJQANCHMSA-N 2 0 318.509 2.786 20 0 DFADRP CC[NH+]1CCN(CC(C)(C)[NH2+]CCc2cccc(Cl)c2)CC1 ZINC000459566082 299136003 /nfs/dbraw/zinc/13/60/03/299136003.db2.gz VVEILNDHGWQZKQ-UHFFFAOYSA-N 2 0 323.912 2.888 20 0 DFADRP CC(C)[C@@H]([NH2+]C1CC[NH+](C[C@H]2CCOC2)CC1)c1cccnc1 ZINC000091343599 398526727 /nfs/dbraw/zinc/52/67/27/398526727.db2.gz VSSMFIZORVMKQX-VQIMIIECSA-N 2 0 317.477 2.869 20 0 DFADRP CC[C@H]([NH2+]Cc1ccc(N2CC[NH+](C)CC2)nc1)[C@@H]1CC1(C)C ZINC000414059095 295762142 /nfs/dbraw/zinc/76/21/42/295762142.db2.gz IDQSDNSTPHIURR-IRXDYDNUSA-N 2 0 316.493 2.748 20 0 DFADRP CC(C)=CCC[C@@H](C)[NH2+]CC1(N2CCOCC2)CC[NH+](C)CC1 ZINC000414206319 295777860 /nfs/dbraw/zinc/77/78/60/295777860.db2.gz YFKTWPVUBDMOIU-GOSISDBHSA-N 2 0 323.525 2.508 20 0 DFADRP CC[NH+](CC)Cc1ccccc1CNC(=O)[C@H]1CCCCC[NH2+]1 ZINC000321637792 398553848 /nfs/dbraw/zinc/55/38/48/398553848.db2.gz QARDNLVCIJZHDX-GOSISDBHSA-N 2 0 317.477 2.677 20 0 DFADRP COC(=O)c1ccc(C[NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)cc1Cl ZINC000597051659 398556730 /nfs/dbraw/zinc/55/67/30/398556730.db2.gz WJGSRTFMNSAIDR-ZDUSSCGKSA-N 2 0 322.836 2.701 20 0 DFADRP C[C@H]([NH2+][C@H]1CCC[C@H](CO)C1)c1ccc(OCC[NH+](C)C)cc1 ZINC000414342555 295790007 /nfs/dbraw/zinc/79/00/07/295790007.db2.gz PZLHYAKWEQOLIJ-BQFCYCMXSA-N 2 0 320.477 2.829 20 0 DFADRP CC1(C[NH2+]Cc2ccc(Br)s2)CC[NH2+]CC1 ZINC000070600538 190908362 /nfs/dbraw/zinc/90/83/62/190908362.db2.gz MRJIXQPOYJZIOR-UHFFFAOYSA-N 2 0 303.269 2.990 20 0 DFADRP CC[NH+]1CCC(NC(=O)C[N@H+](CC2CC2)C2CCCCC2)CC1 ZINC000069608137 398577472 /nfs/dbraw/zinc/57/74/72/398577472.db2.gz HDIWRVGWWTUWSF-UHFFFAOYSA-N 2 0 321.509 2.632 20 0 DFADRP C[C@H](CC(=O)Nc1ccccc1)[NH2+]CC1(C)CC[NH+](C)CC1 ZINC000272515635 209927621 /nfs/dbraw/zinc/92/76/21/209927621.db2.gz IFXAFUGMHDRNRV-OAHLLOKOSA-N 2 0 303.450 2.725 20 0 DFADRP CS[C@@H]1CC[C@@H]1[NH2+]CC1CC[NH+](Cc2ccncc2)CC1 ZINC000597193101 398586787 /nfs/dbraw/zinc/58/67/87/398586787.db2.gz VDHMPIMYUOSHSA-DLBZAZTESA-N 2 0 305.491 2.777 20 0 DFADRP COC(=O)[C@H]1C[C@@H]([NH2+]C2CC[NH+]([C@H]3CCCC[C@H]3C)CC2)C1 ZINC000597221618 398595463 /nfs/dbraw/zinc/59/54/63/398595463.db2.gz TURQULGKEXCDSJ-JHNDHUHGSA-N 2 0 308.466 2.571 20 0 DFADRP CCC[C@H](C(=O)Nc1cccc2c1CC[N@H+](CC)C2)[NH+](C)C ZINC000092762296 398599979 /nfs/dbraw/zinc/59/99/79/398599979.db2.gz CHDKFEUTHXSCAG-QGZVFWFLSA-N 2 0 303.450 2.733 20 0 DFADRP COC(=O)[C@H]1C[C@H]([NH2+]C2CC[NH+]([C@@H]3CCCC[C@H]3C)CC2)C1 ZINC000597243646 398604914 /nfs/dbraw/zinc/60/49/14/398604914.db2.gz TURQULGKEXCDSJ-MUIFIZLQSA-N 2 0 308.466 2.571 20 0 DFADRP COCCOc1ccc([C@H](C)[NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000152407901 186069092 /nfs/dbraw/zinc/06/90/92/186069092.db2.gz DSQWRCJCJANGPJ-HOTGVXAUSA-N 2 0 318.461 2.847 20 0 DFADRP CC[C@H](C)[C@H]([NH3+])C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000155700715 186104467 /nfs/dbraw/zinc/10/44/67/186104467.db2.gz WIUQGLOXSRNGRW-IDCNUPLLSA-N 2 0 317.477 2.529 20 0 DFADRP CC[C@@H](C)[C@H]([NH3+])C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000155700830 186104623 /nfs/dbraw/zinc/10/46/23/186104623.db2.gz WIUQGLOXSRNGRW-LMSBXDPUSA-N 2 0 317.477 2.529 20 0 DFADRP Cc1nc2ccccc2n1CCC[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000155844164 186117788 /nfs/dbraw/zinc/11/77/88/186117788.db2.gz PZTIVRKURBICNY-GDBMZVCRSA-N 2 0 300.450 2.807 20 0 DFADRP CC(C)[N@H+](C)Cc1ccccc1CNC(=O)[C@@H]([NH3+])C(C)(C)C ZINC000164145927 186150636 /nfs/dbraw/zinc/15/06/36/186150636.db2.gz JELDEUMTGNDPDU-MRXNPFEDSA-N 2 0 305.466 2.516 20 0 DFADRP COCC[N@H+](C)CCCC1CC[NH+](CCc2cccnc2)CC1 ZINC000179678095 186203895 /nfs/dbraw/zinc/20/38/95/186203895.db2.gz KLAJETXXPJEHTL-UHFFFAOYSA-N 2 0 319.493 2.695 20 0 DFADRP CC[N@H+](C)C[C@H]1CC[NH+](Cc2cccc(-c3cnn(C)c3)c2)C1 ZINC000093770556 398644494 /nfs/dbraw/zinc/64/44/94/398644494.db2.gz ZZQRHOAZZLLDSY-QGZVFWFLSA-N 2 0 312.461 2.861 20 0 DFADRP CC[NH+]1CCC(C[NH2+]Cc2c[nH]nc2-c2cccs2)CC1 ZINC000044517826 398647113 /nfs/dbraw/zinc/64/71/13/398647113.db2.gz YSQGZOMLVMQGHF-UHFFFAOYSA-N 2 0 304.463 2.960 20 0 DFADRP COC(=O)CCC[NH2+]C1[C@H](C)C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000189951607 186254149 /nfs/dbraw/zinc/25/41/49/186254149.db2.gz NDQAWHNRCKIVAC-MCPYQZEQSA-N 2 0 318.461 2.686 20 0 DFADRP C[C@H](CCNC(=O)[C@H]1CCC[C@@H]([NH3+])C1)[N@H+](C)Cc1ccccc1 ZINC000237459187 186292942 /nfs/dbraw/zinc/29/29/42/186292942.db2.gz LJGRVHGMECPJSP-BPQIPLTHSA-N 2 0 317.477 2.531 20 0 DFADRP C[C@H](CC(=O)Nc1cccc(C[NH+](C)C)c1)C1CC[NH2+]CC1 ZINC000237480146 186295545 /nfs/dbraw/zinc/29/55/45/186295545.db2.gz RRWOGHXQHIDUCU-CQSZACIVSA-N 2 0 303.450 2.713 20 0 DFADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)c2ccc(C[NH3+])cc2)C1 ZINC000237509278 186299700 /nfs/dbraw/zinc/29/97/00/186299700.db2.gz MYJXCTPWUYRVTJ-IYBDPMFKSA-N 2 0 317.477 2.633 20 0 DFADRP C=Cn1cc(C[NH2+]CC2CC[NH+](Cc3ccccc3)CC2)cn1 ZINC000194260501 186273666 /nfs/dbraw/zinc/27/36/66/186273666.db2.gz PVXLGOHJXXAINO-UHFFFAOYSA-N 2 0 310.445 2.985 20 0 DFADRP COc1ccc(C[NH2+]CC[C@H]2CCC[N@H+](C)C2)c(OC)c1OC ZINC000459724443 299173389 /nfs/dbraw/zinc/17/33/89/299173389.db2.gz DQXUEWMVTUDZSA-CQSZACIVSA-N 2 0 322.449 2.534 20 0 DFADRP COc1cccc(NC2CC[NH+](C[C@@H]3CC[NH2+][C@@H](C)C3)CC2)c1 ZINC000414708329 295818033 /nfs/dbraw/zinc/81/80/33/295818033.db2.gz ZSVXFODUWCDFKU-JKSUJKDBSA-N 2 0 317.477 2.960 20 0 DFADRP COCCOCc1ccc(C[NH2+]CC[C@@H]2CCC[N@H+](C)C2)cc1 ZINC000459732462 299175727 /nfs/dbraw/zinc/17/57/27/299175727.db2.gz FZEVJLUKSXDXQT-SFHVURJKSA-N 2 0 320.477 2.671 20 0 DFADRP C[NH2+]C[C@H](C)C[NH2+][C@H](C)CC(=O)Nc1ccc(C(C)C)cc1 ZINC000414830114 295823395 /nfs/dbraw/zinc/82/33/95/295823395.db2.gz BUWILYFCCYKXQM-LSDHHAIUSA-N 2 0 305.466 2.972 20 0 DFADRP Cc1ccc(Cl)cc1NC(=O)C[C@H](C)[NH2+]CC[C@H]1CC[NH2+]C1 ZINC000414828047 295822897 /nfs/dbraw/zinc/82/28/97/295822897.db2.gz IGWRPQJESIUMJM-UONOGXRCSA-N 2 0 323.868 2.955 20 0 DFADRP Cc1cccc(NC(=O)C[C@@H](C)[NH2+]CC[C@H]2CC[NH2+]C2)c1C ZINC000414827150 295822979 /nfs/dbraw/zinc/82/29/79/295822979.db2.gz GRTRINHTJQCGKW-GDBMZVCRSA-N 2 0 303.450 2.610 20 0 DFADRP FC(F)(F)COc1ccc(C[NH2+]CC[C@H]2CC[NH2+]C2)cc1 ZINC000414832752 295823920 /nfs/dbraw/zinc/82/39/20/295823920.db2.gz OSNNDMAQFDAIAL-ZDUSSCGKSA-N 2 0 302.340 2.717 20 0 DFADRP Cn1cc(C[NH2+]CC[C@H]2CC[NH2+]C2)c(-c2ccccc2Cl)n1 ZINC000414839972 295824580 /nfs/dbraw/zinc/82/45/80/295824580.db2.gz WWASMPHDELNNSZ-CYBMUJFWSA-N 2 0 318.852 2.830 20 0 DFADRP Cn1cc(C[NH2+]CC[C@@H]2CCC[N@H+](C)C2)c(-c2cccs2)n1 ZINC000459742387 299179141 /nfs/dbraw/zinc/17/91/41/299179141.db2.gz WBNJMDXJYLPFSG-AWEZNQCLSA-N 2 0 318.490 2.970 20 0 DFADRP c1ccc(CCN2CCC([NH2+]CC[C@@H]3CCC[NH2+]C3)CC2)cc1 ZINC000414846242 295825452 /nfs/dbraw/zinc/82/54/52/295825452.db2.gz ULELHQPPKRIOHO-IBGZPJMESA-N 2 0 315.505 2.673 20 0 DFADRP COc1ccc(CC[C@H](C)[NH2+]CC2=CC[N@H+](C)CC2)cc1O ZINC000277221175 213375919 /nfs/dbraw/zinc/37/59/19/213375919.db2.gz MBEWEDKSGBLIFV-AWEZNQCLSA-N 2 0 304.434 2.573 20 0 DFADRP Cc1cccc(NC(=O)C[C@H](C)[NH2+][C@H](C)[C@H]2CCC[NH2+]C2)c1C ZINC000414860079 295827290 /nfs/dbraw/zinc/82/72/90/295827290.db2.gz VEVWXGSTLLSXJR-UAGQMJEPSA-N 2 0 317.477 2.998 20 0 DFADRP C[C@]1(C[NH2+]Cc2ccc(OC[C@@H]3CCCO3)cc2)CCC[NH2+]C1 ZINC000414898601 295832061 /nfs/dbraw/zinc/83/20/61/295832061.db2.gz GMIPRPHQWPVTJJ-OALUTQOASA-N 2 0 318.461 2.724 20 0 DFADRP FC(F)(F)COc1ccc(C[NH2+]CC[C@H]2CCC[NH2+]2)cc1 ZINC000414899443 295832168 /nfs/dbraw/zinc/83/21/68/295832168.db2.gz BYBUQYZOQKTGOZ-CYBMUJFWSA-N 2 0 302.340 2.859 20 0 DFADRP CCOC(=O)[C@@H]1CC[C@@H]([NH2+]CCC[N@H+](C)CC(C)C)C[C@@H]1C ZINC000593647343 398664660 /nfs/dbraw/zinc/66/46/60/398664660.db2.gz XPECNBJOPFZKAI-GVDBMIGSSA-N 2 0 312.498 2.922 20 0 DFADRP COc1ccc(C[C@@H](C)C[NH2+]C[C@]2(C)CCC[NH2+]C2)cc1F ZINC000414899627 295832312 /nfs/dbraw/zinc/83/23/12/295832312.db2.gz CPRIFKMMYVGLJQ-RDTXWAMCSA-N 2 0 308.441 2.992 20 0 DFADRP CC(C)c1ccccc1NC(=O)C[C@H](C)[NH2+]C[C@@H]1CC[NH2+]C1 ZINC000414916231 295834568 /nfs/dbraw/zinc/83/45/68/295834568.db2.gz PEAVQLMDOVGRJZ-LSDHHAIUSA-N 2 0 303.450 2.726 20 0 DFADRP COc1cccc(C[NH2+][C@H]2CCC[C@@H]([NH3+])C2)c1OC(F)F ZINC000414922144 295835434 /nfs/dbraw/zinc/83/54/34/295835434.db2.gz GMIXKMUMSZJZLC-NEPJUHHUSA-N 2 0 300.349 2.656 20 0 DFADRP C[C@H](NCc1ccc(OCCC[NH+](C)C)cc1)c1ccn(C)n1 ZINC000459762700 299184657 /nfs/dbraw/zinc/18/46/57/299184657.db2.gz UGTLGXQTLHPVOM-HNNXBMFYSA-N 2 0 316.449 2.601 20 0 DFADRP CC[N@@H+]1CC[C@@H](C[NH2+][C@@H](C)CCc2ccc(OC)c(O)c2)C1 ZINC000277187223 213352797 /nfs/dbraw/zinc/35/27/97/213352797.db2.gz IJAZBIQXVYAYES-HOCLYGCPSA-N 2 0 306.450 2.653 20 0 DFADRP C[C@H]1C[C@H]([NH2+]Cc2cccc(OCc3ccccn3)c2)CC[NH2+]1 ZINC000414944835 295838343 /nfs/dbraw/zinc/83/83/43/295838343.db2.gz HJWXZAXGBPWKPZ-DOTOQJQBSA-N 2 0 311.429 2.891 20 0 DFADRP C[C@@H]1C[C@@H]([NH2+]Cc2cn(C)nc2-c2ccccc2Cl)CC[NH2+]1 ZINC000414951679 295839515 /nfs/dbraw/zinc/83/95/15/295839515.db2.gz PYGQIGLCCPKONQ-OCCSQVGLSA-N 2 0 318.852 2.971 20 0 DFADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)NC[C@@H]1[NH2+]CCc2ccccc21 ZINC000414955485 295840366 /nfs/dbraw/zinc/84/03/66/295840366.db2.gz NDYYNXOJZGHSHH-AYBZRNKSSA-N 2 0 301.478 2.774 20 0 DFADRP CC(C)(C[NH3+])NC(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC000414972830 295842755 /nfs/dbraw/zinc/84/27/55/295842755.db2.gz YQJQODBKQBIGKA-UHFFFAOYSA-N 2 0 318.465 2.574 20 0 DFADRP CCCCCNC(=O)[C@@H](C)[NH+]1CCC(C[N@H+](C)C(C)C)CC1 ZINC000590786151 398674063 /nfs/dbraw/zinc/67/40/63/398674063.db2.gz DAKJPYLYUNYAPM-MRXNPFEDSA-N 2 0 311.514 2.734 20 0 DFADRP Fc1ccccc1-c1n[nH]cc1C[NH2+]CCC[C@@H]1CCC[NH2+]1 ZINC000414968527 295842566 /nfs/dbraw/zinc/84/25/66/295842566.db2.gz IJZCOVOKNKAWJP-CQSZACIVSA-N 2 0 302.397 2.838 20 0 DFADRP COc1ccc(CC[C@H](C)[NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)cc1O ZINC000277165688 213340624 /nfs/dbraw/zinc/34/06/24/213340624.db2.gz GGPXCATVMPNRLD-GOEBONIOSA-N 2 0 318.461 2.796 20 0 DFADRP COCC1(C[NH2+]Cc2ccc(C(F)(F)F)s2)CC[NH2+]CC1 ZINC000414978393 295843510 /nfs/dbraw/zinc/84/35/10/295843510.db2.gz SSVLVBYYYOJOSQ-UHFFFAOYSA-N 2 0 322.396 2.873 20 0 DFADRP COc1ccc(-c2n[nH]cc2C[NH2+]C[C@@H]2CCC[C@H]([NH3+])C2)cc1 ZINC000414994237 295844861 /nfs/dbraw/zinc/84/48/61/295844861.db2.gz LXEBYTBEWPRNMT-CJNGLKHVSA-N 2 0 314.433 2.692 20 0 DFADRP COc1ccc(OC(F)F)c(C[NH2+]C[C@H]2CCC[C@H]([NH3+])C2)c1 ZINC000414989457 295844576 /nfs/dbraw/zinc/84/45/76/295844576.db2.gz GYAVJWYWCIYSJO-AAEUAGOBSA-N 2 0 314.376 2.904 20 0 DFADRP COc1ccc2nc(C[NH2+]C[C@H]3CCC[C@H]([NH3+])C3)sc2c1 ZINC000414996805 295845272 /nfs/dbraw/zinc/84/52/72/295845272.db2.gz GRNINDFXAHATAW-RYUDHWBXSA-N 2 0 305.447 2.912 20 0 DFADRP Fc1ccc([C@@H]2CC[NH2+]C[C@@H]2C[NH2+]C[C@H]2CCCOC2)cc1 ZINC000414996581 295845329 /nfs/dbraw/zinc/84/53/29/295845329.db2.gz GNCBIERAGSXTCY-KYJSFNMBSA-N 2 0 306.425 2.535 20 0 DFADRP CCC[NH+]1CCN(C(=O)c2ccc(Nc3cc[nH+]cc3)cc2)CC1 ZINC000073364672 398677099 /nfs/dbraw/zinc/67/70/99/398677099.db2.gz DMCONMBBYKZZRW-UHFFFAOYSA-N 2 0 324.428 2.993 20 0 DFADRP COc1cc2c(c(C[NH2+]C[C@@H]3CCC[C@H]([NH3+])C3)c1)O[C@H](C)C2 ZINC000415003108 295846292 /nfs/dbraw/zinc/84/62/92/295846292.db2.gz WOLVAAUFYPSCFD-IOASZLSFSA-N 2 0 304.434 2.626 20 0 DFADRP CCOC(=O)[C@@H]1CC[C@H]([NH2+]CC[C@H]2CCC[N@H+](C)C2)C[C@@H]1C ZINC000459781799 299191227 /nfs/dbraw/zinc/19/12/27/299191227.db2.gz MMGHIHDVZUCIDI-VVLHAWIVSA-N 2 0 310.482 2.676 20 0 DFADRP C[C@H](CCCC[NH3+])[NH2+]Cc1c[nH]nc1-c1c(F)cccc1F ZINC000415006832 295846623 /nfs/dbraw/zinc/84/66/23/295846623.db2.gz AMFSKFZVPUVMLD-LLVKDONJSA-N 2 0 308.376 2.962 20 0 DFADRP COc1ccc(C[NH2+][C@@H](C)CCCC[NH3+])cc1OC(F)F ZINC000415015658 295847567 /nfs/dbraw/zinc/84/75/67/295847567.db2.gz OOMGTNBCMPERJV-NSHDSACASA-N 2 0 302.365 2.904 20 0 DFADRP CC(C)[N@H+](C)CC1CC[NH+](C[C@H]2COc3ccccc3O2)CC1 ZINC000590818852 398681020 /nfs/dbraw/zinc/68/10/20/398681020.db2.gz AHUCECXUTBVLCO-KRWDZBQOSA-N 2 0 318.461 2.879 20 0 DFADRP COc1ccc(CC[C@H](C)[NH2+]C[C@H]2CCC[C@@H]([NH3+])C2)cc1O ZINC000415013628 295847254 /nfs/dbraw/zinc/84/72/54/295847254.db2.gz YPVDYESLDBMRMG-CWRNSKLLSA-N 2 0 306.450 2.829 20 0 DFADRP C[C@H](CC(=O)Nc1ccc(F)cc1)[NH2+]C[C@H]1CCC[C@H]([NH3+])C1 ZINC000415013964 295847291 /nfs/dbraw/zinc/84/72/91/295847291.db2.gz ZBNMIDSERUEZBO-IPYPFGDCSA-N 2 0 307.413 2.650 20 0 DFADRP C[C@@H](CCC[NH3+])[NH2+]C1CCN(CCc2ccc(F)cc2)CC1 ZINC000415025150 295848248 /nfs/dbraw/zinc/84/82/48/295848248.db2.gz QLDATLGRHKHWSA-HNNXBMFYSA-N 2 0 307.457 2.550 20 0 DFADRP COc1sc(C[NH2+][C@H]2CC[C@@H](C[NH3+])C2)cc1Br ZINC000415027729 295848531 /nfs/dbraw/zinc/84/85/31/295848531.db2.gz BKNIFKDSEUZYEO-BDAKNGLRSA-N 2 0 319.268 2.736 20 0 DFADRP C[N@@H+]1CCC[C@H](CC[NH2+]Cc2ncc(Br)s2)C1 ZINC000459791899 299193795 /nfs/dbraw/zinc/19/37/95/299193795.db2.gz SCEZDYONJIXYTQ-SNVBAGLBSA-N 2 0 318.284 2.727 20 0 DFADRP CC(C)Oc1ccc([C@@H]2CCC[C@@H]2[NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)cc1 ZINC000415037265 295849809 /nfs/dbraw/zinc/84/98/09/295849809.db2.gz MTBSLVKDJUAJEH-QXCZDIPSSA-N 2 0 300.446 2.917 20 0 DFADRP Cc1ccc(NC(=O)C[C@H](C)[NH2+][C@@H]2CC[C@H](C[NH3+])C2)c(C)c1 ZINC000415039308 295850043 /nfs/dbraw/zinc/85/00/43/295850043.db2.gz NVWCIQMWYPXHKG-HRCADAONSA-N 2 0 303.450 2.738 20 0 DFADRP COc1ccc(-c2ccncc2)cc1C[NH2+][C@@H]1CC[C@H](C[NH3+])C1 ZINC000415041058 295850156 /nfs/dbraw/zinc/85/01/56/295850156.db2.gz PMTNMSGLWUZION-KBXCAEBGSA-N 2 0 311.429 2.974 20 0 DFADRP Cc1nn(C)c2ncc(C[NH2+][C@@H](CCC[NH3+])c3ccccc3)cc12 ZINC000415046488 295850887 /nfs/dbraw/zinc/85/08/87/295850887.db2.gz CNULHXPNLSFJDV-SFHVURJKSA-N 2 0 323.444 2.847 20 0 DFADRP COc1ccc(C[NH2+][C@H]2CC[C@H](C[NH3+])C2)c(OC(F)F)c1 ZINC000415045801 295850889 /nfs/dbraw/zinc/85/08/89/295850889.db2.gz UJFYKFFRVOZENM-JQWIXIFHSA-N 2 0 300.349 2.514 20 0 DFADRP COc1cc(C[NH2+][C@H]2CC[C@@H](C[NH3+])C2)ccc1OC(F)F ZINC000415047767 295851048 /nfs/dbraw/zinc/85/10/48/295851048.db2.gz WBQDRKYFUQHJEX-PWSUYJOCSA-N 2 0 300.349 2.514 20 0 DFADRP Cc1nn(C)c2ncc(C[NH2+][C@H](CCC[NH3+])c3ccccc3)cc12 ZINC000415046483 295850675 /nfs/dbraw/zinc/85/06/75/295850675.db2.gz CNULHXPNLSFJDV-GOSISDBHSA-N 2 0 323.444 2.847 20 0 DFADRP C[C@@H]([NH2+]CCCN1CCC[N@H+](C)CC1)c1ccc(F)c(F)c1 ZINC000173391678 198210093 /nfs/dbraw/zinc/21/00/93/198210093.db2.gz WROWULJARBLIPU-CQSZACIVSA-N 2 0 311.420 2.643 20 0 DFADRP CCCCC1CCC([NH2+]C[C@H]2CCCN(C(=O)C[NH3+])C2)CC1 ZINC000415088234 295856477 /nfs/dbraw/zinc/85/64/77/295856477.db2.gz VVQHCNXMAFPSDW-AQFXKWCLSA-N 2 0 309.498 2.522 20 0 DFADRP CCCOc1ccc(C[NH2+]CCCN2CCC[N@H+](C)CC2)cc1 ZINC000105477096 398693562 /nfs/dbraw/zinc/69/35/62/398693562.db2.gz IMMXGEONRMCJKQ-UHFFFAOYSA-N 2 0 319.493 2.593 20 0 DFADRP C[C@@H]1C[C@@H](C[NH2+][C@H]2CCN(c3c(F)cccc3F)C2)CC[NH2+]1 ZINC000415090173 295856856 /nfs/dbraw/zinc/85/68/56/295856856.db2.gz XLFQZGRXDVRDDF-RDBSUJKOSA-N 2 0 309.404 2.521 20 0 DFADRP [NH3+]CCCN(c1cccc(F)c1)[C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000415111425 295859423 /nfs/dbraw/zinc/85/94/23/295859423.db2.gz BXELQRSPTTVJMR-KZNAEPCWSA-N 2 0 305.441 2.902 20 0 DFADRP CC[NH+](CC)Cc1cccc(C[NH2+]Cc2ccc(CO)o2)c1 ZINC000174278738 198314557 /nfs/dbraw/zinc/31/45/57/198314557.db2.gz XFVFQRXFLJKUJS-UHFFFAOYSA-N 2 0 302.418 2.904 20 0 DFADRP CC[NH+]1CCN(c2ccc(NC[C@@H]([NH3+])CC(C)C)c(C)c2)CC1 ZINC000415122989 295861062 /nfs/dbraw/zinc/86/10/62/295861062.db2.gz OWQYZIJSNFNTEQ-KRWDZBQOSA-N 2 0 318.509 2.922 20 0 DFADRP Cc1cc(C[NH3+])cc(NC(=O)N2CC[C@H]([NH+]3CCCC3)[C@@H]2C)c1 ZINC000332009550 234383083 /nfs/dbraw/zinc/38/30/83/234383083.db2.gz YYNMTJYMZRPUHC-YOEHRIQHSA-N 2 0 316.449 2.544 20 0 DFADRP CC[NH+]1CCN(c2ccc(N[C@H]3CCC[NH2+]CC3)c(C)c2)CC1 ZINC000415127147 295861805 /nfs/dbraw/zinc/86/18/05/295861805.db2.gz VHNSYRDPSVGDRZ-KRWDZBQOSA-N 2 0 316.493 2.691 20 0 DFADRP Cc1ccc(-c2cccc(C[NH+]3CCC(O)(C[NH3+])CC3)c2)cc1 ZINC000415147327 295864897 /nfs/dbraw/zinc/86/48/97/295864897.db2.gz ZUNBZTCURAMNKL-UHFFFAOYSA-N 2 0 310.441 2.948 20 0 DFADRP CN1CC[NH+](CC2CC[NH+]([C@@H]3CCc4ccccc43)CC2)CC1 ZINC000368052439 282945898 /nfs/dbraw/zinc/94/58/98/282945898.db2.gz VZNRMDQSWXCVHJ-HXUWFJFHSA-N 2 0 313.489 2.633 20 0 DFADRP CC(C)C[NH+]1CCC(NC(=O)[C@@H](C)[C@@H]([NH3+])c2ccccc2)CC1 ZINC000236771480 202001646 /nfs/dbraw/zinc/00/16/46/202001646.db2.gz OJQYBYDLEFJGJC-MAUKXSAKSA-N 2 0 317.477 2.559 20 0 DFADRP CC(C)[C@H]([NH3+])C(=O)Nc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000236795769 202014004 /nfs/dbraw/zinc/01/40/04/202014004.db2.gz IDFVLCRHLZIRFE-PBHICJAKSA-N 2 0 303.450 2.840 20 0 DFADRP COC(=O)[C@H](C)[C@H](NCC[C@@H]1CCC[N@@H+]1C)c1ccccc1 ZINC000129194688 283005816 /nfs/dbraw/zinc/00/58/16/283005816.db2.gz ATPYJZWVTFHFDL-PVAVHDDUSA-N 2 0 304.434 2.611 20 0 DFADRP C[C@H]1CCCC[N@@H+]1Cc1ccc(NC(=O)[C@@H]2CC[NH+](C)C2)cc1 ZINC000591097017 398726741 /nfs/dbraw/zinc/72/67/41/398726741.db2.gz LUOQRRZGNQVRKZ-DOTOQJQBSA-N 2 0 315.461 2.951 20 0 DFADRP CCC[C@H](CCc1ccccc1)[NH2+]CC1(O)CC[NH+](C)CC1 ZINC000462121412 299222405 /nfs/dbraw/zinc/22/24/05/299222405.db2.gz ONDLNZUFTQKUQZ-GOSISDBHSA-N 2 0 304.478 2.834 20 0 DFADRP OCC[NH+]1CCC(C[NH2+][C@@H]2CC[C@H](c3ccccc3)C2)CC1 ZINC000131281838 283078194 /nfs/dbraw/zinc/07/81/94/283078194.db2.gz KHTHLFFVSVBBBP-RBUKOAKNSA-N 2 0 302.462 2.617 20 0 DFADRP C[NH2+]Cc1ccccc1NC(=O)N[C@H](CC[NH+](C)C)C(C)(C)C ZINC000415908299 295900725 /nfs/dbraw/zinc/90/07/25/295900725.db2.gz CTCQEZQAMKLRKX-MRXNPFEDSA-N 2 0 320.481 2.894 20 0 DFADRP C[N@@H+]1CC[C@H]([NH2+]C[C@]2(C)OCCc3sccc32)[C@@H]2CCC[C@@H]21 ZINC000353630056 283138803 /nfs/dbraw/zinc/13/88/03/283138803.db2.gz LTXXMOADTCSZPD-MBGYTDRXSA-N 2 0 320.502 2.998 20 0 DFADRP C[C@H](CNC(=O)CC1(C[NH3+])CCCCC1)[NH+]1CCC(C)CC1 ZINC000184229276 199690599 /nfs/dbraw/zinc/69/05/99/199690599.db2.gz LOFPACVNIKHSOQ-MRXNPFEDSA-N 2 0 309.498 2.522 20 0 DFADRP CCO[C@H]1CCC[NH+](CCCC[N@H+]2CCC[C@H](OCC)C2)C1 ZINC000119030836 398773916 /nfs/dbraw/zinc/77/39/16/398773916.db2.gz RNOOWJOBTKSEML-ROUUACIJSA-N 2 0 312.498 2.768 20 0 DFADRP CC[NH+](CC)[C@@H](CNC(=O)[C@@]1(C)CCCC[NH2+]1)c1ccccc1 ZINC000236832057 202029833 /nfs/dbraw/zinc/02/98/33/202029833.db2.gz LFGSEQVVCJIWGC-PKOBYXMFSA-N 2 0 317.477 2.718 20 0 DFADRP CC[C@@H](C)[C@H]([NH3+])C(=O)NC[C@H](c1ccc(C)cc1)[NH+]1CCCC1 ZINC000236935990 202079963 /nfs/dbraw/zinc/07/99/63/202079963.db2.gz SKDHOPPFXJTJKW-NXHRZFHOSA-N 2 0 317.477 2.622 20 0 DFADRP CC[C@@H](C)[C@H]([NH3+])C(=O)NCc1ccccc1C[N@H+](C)C(C)C ZINC000236947948 202087792 /nfs/dbraw/zinc/08/77/92/202087792.db2.gz KKKDJEPTALZLPI-PBHICJAKSA-N 2 0 305.466 2.516 20 0 DFADRP CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)CCC2CC[NH2+]CC2)C1 ZINC000236938166 202080805 /nfs/dbraw/zinc/08/08/05/202080805.db2.gz XOLCDUSFGPCIQI-MRXNPFEDSA-N 2 0 323.525 2.783 20 0 DFADRP CC[C@@H](C)[C@H]([NH3+])C(=O)NC[C@@H](c1ccsc1)[NH+](CC)CC ZINC000236941421 202083232 /nfs/dbraw/zinc/08/32/32/202083232.db2.gz RLTALRHSJVRQFD-SNPRPXQTSA-N 2 0 311.495 2.621 20 0 DFADRP CC[N@H+](Cc1ccc(C(=O)N2CCC[C@@H]2C[NH2+]C)cc1)C(C)C ZINC000236993011 202112177 /nfs/dbraw/zinc/11/21/77/202112177.db2.gz ABOPHDYAVMFKRX-GOSISDBHSA-N 2 0 317.477 2.741 20 0 DFADRP CC[C@@H](C)[C@@H]([NH3+])C(=O)Nc1cccc(C[NH+]2CCCCC2)c1 ZINC000237018472 202124304 /nfs/dbraw/zinc/12/43/04/202124304.db2.gz XURGSELJDOVYJV-RHSMWYFYSA-N 2 0 303.450 2.984 20 0 DFADRP CC[C@H](C)[C@@H]([NH3+])C(=O)NCc1ccc(C[NH+](CC)CC)cc1 ZINC000237080029 202145723 /nfs/dbraw/zinc/14/57/23/202145723.db2.gz KEYMMAIHCBAGNO-WMLDXEAASA-N 2 0 305.466 2.518 20 0 DFADRP CCC[NH+]1CCC(C[NH2+][C@@H](COC)Cc2ccccc2)CC1 ZINC000122733055 398793289 /nfs/dbraw/zinc/79/32/89/398793289.db2.gz KACOXZKSGWLIDU-LJQANCHMSA-N 2 0 304.478 2.956 20 0 DFADRP CCC[N@H+](CCC1CC[NH2+]CC1)C[C@H]1COc2ccccc2O1 ZINC000359185037 283215712 /nfs/dbraw/zinc/21/57/12/283215712.db2.gz FHRWYKRAKBUSNT-KRWDZBQOSA-N 2 0 318.461 2.928 20 0 DFADRP C[NH2+]CCCC(=O)NCC1([NH2+][C@@H](C)c2ccccc2)CCCC1 ZINC000237156859 202170450 /nfs/dbraw/zinc/17/04/50/202170450.db2.gz OVIIYCSSMXPOQT-INIZCTEOSA-N 2 0 317.477 2.766 20 0 DFADRP COc1ccc(OC)c(CC[NH2+][C@@H]2C[C@H](C)[N@H+](C)C[C@H]2C)c1 ZINC000177956130 198794609 /nfs/dbraw/zinc/79/46/09/198794609.db2.gz DHEFZULVKBHMQS-JKIFEVAISA-N 2 0 306.450 2.565 20 0 DFADRP C[NH2+]CCCC(=O)Nc1ccc(C[NH+]2CCC(C)CC2)cc1 ZINC000237237166 202200038 /nfs/dbraw/zinc/20/00/38/202200038.db2.gz SHZVZPOPICSMKM-UHFFFAOYSA-N 2 0 303.450 2.857 20 0 DFADRP C[NH2+]C[C@@H](C)C(=O)NCc1ccc(C[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000237217244 202193926 /nfs/dbraw/zinc/19/39/26/202193926.db2.gz ZXEHVJCNFPECNR-CVEARBPZSA-N 2 0 317.477 2.533 20 0 DFADRP CC[NH+]1CCN([C@H]2CC[N@H+](Cc3ccc(Cl)cc3C)C2)CC1 ZINC000136188955 283236373 /nfs/dbraw/zinc/23/63/73/283236373.db2.gz TVCFURITLWIRTJ-SFHVURJKSA-N 2 0 321.896 2.860 20 0 DFADRP C[C@@H]([NH2+]CC1CC[NH+](Cc2ccccc2)CC1)[C@@H]1CCOC1 ZINC000178634657 198901761 /nfs/dbraw/zinc/90/17/61/198901761.db2.gz CKBDGDMXVWJRED-VQIMIIECSA-N 2 0 302.462 2.913 20 0 DFADRP CC[NH+]1CCC(NC(=O)C[N@H+](C(C)C)C2CCCCC2)CC1 ZINC000150946885 283271887 /nfs/dbraw/zinc/27/18/87/283271887.db2.gz CBARNXZSHLNGCO-UHFFFAOYSA-N 2 0 309.498 2.630 20 0 DFADRP CC[NH+](CC)CCCNC(=O)C1CC[NH+](CC=C(C)C)CC1 ZINC000151002179 283273606 /nfs/dbraw/zinc/27/36/06/283273606.db2.gz BJBZPTKERGEPHW-UHFFFAOYSA-N 2 0 309.498 2.513 20 0 DFADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]Cc1cccc(Cn2ccnc2)c1 ZINC000151330036 283281385 /nfs/dbraw/zinc/28/13/85/283281385.db2.gz WFKFVUFHWANSGD-MDZRGWNJSA-N 2 0 312.461 2.750 20 0 DFADRP COC(=O)c1ccc2c(c1)[C@H]([NH2+][C@H](C)CC[NH+](C)C)CCC2 ZINC000594493050 398808704 /nfs/dbraw/zinc/80/87/04/398808704.db2.gz FDYWZQGGGHXMSU-CXAGYDPISA-N 2 0 304.434 2.780 20 0 DFADRP COC(=O)CCC[C@@H]1CCC[C@@H]([NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)C1 ZINC000594512970 398813322 /nfs/dbraw/zinc/81/33/22/398813322.db2.gz ZCNVGUCKOREKHF-MWDXBVQZSA-N 2 0 310.482 2.818 20 0 DFADRP COc1ccc(C[C@H](C)C[NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)cc1OC ZINC000179507524 199047670 /nfs/dbraw/zinc/04/76/70/199047670.db2.gz SBGUYRISICUGBK-YQQAZPJKSA-N 2 0 320.477 2.955 20 0 DFADRP CCCC[N@H+](C)CC1CC[NH+](CC(=O)N[C@@H](C)C(C)C)CC1 ZINC000052208732 398835978 /nfs/dbraw/zinc/83/59/78/398835978.db2.gz KXISCTJDFUQPQQ-INIZCTEOSA-N 2 0 311.514 2.591 20 0 DFADRP Cc1ccc(F)cc1C[N@@H+](C)CC1CC[NH+](C[C@@H](C)O)CC1 ZINC000180103732 199117674 /nfs/dbraw/zinc/11/76/74/199117674.db2.gz XXIGYDMSTVHPMK-OAHLLOKOSA-N 2 0 308.441 2.659 20 0 DFADRP Cc1ccc(F)cc1C[N@@H+](C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000180103747 199117832 /nfs/dbraw/zinc/11/78/32/199117832.db2.gz XXIGYDMSTVHPMK-HNNXBMFYSA-N 2 0 308.441 2.659 20 0 DFADRP CC[C@H]([NH2+]CCCN1CC[NH+](CC)CC1)c1ccccc1F ZINC000180109199 199118879 /nfs/dbraw/zinc/11/88/79/199118879.db2.gz MOKSUSMSOYBLTK-SFHVURJKSA-N 2 0 307.457 2.894 20 0 DFADRP OC[C@H]1C=C[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC000180176238 199126787 /nfs/dbraw/zinc/12/67/87/199126787.db2.gz OXLFWRLEGYHBGL-WSCSCYJOSA-N 2 0 312.457 2.709 20 0 DFADRP CC[NH+]1CCN(CCC[NH2+][C@@H](C)c2ccc(F)c(OC)c2)CC1 ZINC000152892173 283343577 /nfs/dbraw/zinc/34/35/77/283343577.db2.gz MXEHXWGFFGLVAO-HNNXBMFYSA-N 2 0 323.456 2.513 20 0 DFADRP Cc1ccc2c(c1)[C@H]([NH2+]C[C@@H](C)CN1CC[NH+](C)CC1)[C@H](C)C2 ZINC000180439602 199159036 /nfs/dbraw/zinc/15/90/36/199159036.db2.gz YIWASZGSWURMHA-MBOZVWFJSA-N 2 0 315.505 2.701 20 0 DFADRP CC[C@H]([NH2+]C[C@@H](C)CN1CC[NH+](C)CC1)c1ccccc1F ZINC000180439345 199159324 /nfs/dbraw/zinc/15/93/24/199159324.db2.gz XDQGDBVOGQYCOF-QAPCUYQASA-N 2 0 307.457 2.750 20 0 DFADRP CC[NH+](CC)Cc1ccc(C[NH2+][C@H](C)[C@H]2C[C@@H]2C(=O)OC)cc1 ZINC000594921838 398871835 /nfs/dbraw/zinc/87/18/35/398871835.db2.gz UPLPRVGJMBBYPO-OLMNPRSZSA-N 2 0 318.461 2.816 20 0 DFADRP C[C@@H](C[NH2+]Cc1ccc(N2CC[NH+](C)CC2)nc1)c1ccccc1 ZINC000237403738 202255658 /nfs/dbraw/zinc/25/56/58/202255658.db2.gz ZRUZYCIMDNKWDV-KRWDZBQOSA-N 2 0 324.472 2.727 20 0 DFADRP COCCC[NH+]1CCC(N[C@@H](C)c2ccc(F)c(OC)c2)CC1 ZINC000153514006 283371860 /nfs/dbraw/zinc/37/18/60/283371860.db2.gz SNUIBLVQZXPTKM-AWEZNQCLSA-N 2 0 324.440 2.986 20 0 DFADRP C[C@H](CSCCF)[NH2+]CCCC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000595019667 398893300 /nfs/dbraw/zinc/89/33/00/398893300.db2.gz PBOCNVQTFDSPBK-ILXRZTDVSA-N 2 0 306.491 2.557 20 0 DFADRP C[C@H](CSCCF)[NH2+]CCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000595019668 398893343 /nfs/dbraw/zinc/89/33/43/398893343.db2.gz PBOCNVQTFDSPBK-KFWWJZLASA-N 2 0 306.491 2.557 20 0 DFADRP C[C@H]([NH2+]CCCN1CCC[N@H+](C)CC1)[C@@H](C)c1ccccc1 ZINC000128277625 299292961 /nfs/dbraw/zinc/29/29/61/299292961.db2.gz LDOWLQIASHMEMA-MSOLQXFVSA-N 2 0 303.494 2.796 20 0 DFADRP C[NH+](C)[C@H]1CCC[N@H+](CCCc2ccc3c(c2)CCO3)CC1 ZINC000281019010 216025428 /nfs/dbraw/zinc/02/54/28/216025428.db2.gz ZDZAGPZHVDXTEA-SFHVURJKSA-N 2 0 302.462 2.970 20 0 DFADRP CCCc1cccc(C[NH2+]C[C@H](C)CN2CC[NH+](C)CC2)c1 ZINC000187204361 200077060 /nfs/dbraw/zinc/07/70/60/200077060.db2.gz KFAYPVHSVAIDBQ-KRWDZBQOSA-N 2 0 303.494 2.612 20 0 DFADRP COC(=O)CC1CCC([NH2+]C[C@@H]2CCC[N@@H+](C(C)C)C2)CC1 ZINC000599025548 398909755 /nfs/dbraw/zinc/90/97/55/398909755.db2.gz BWHUYPWUIBBZTQ-CGZBRXJRSA-N 2 0 310.482 2.818 20 0 DFADRP C[C@@H](CC(=O)NCC(C)(C)[N@@H+]1CCC[C@@H](C)C1)C1CC[NH2+]CC1 ZINC000237531245 202272830 /nfs/dbraw/zinc/27/28/30/202272830.db2.gz VMSIGJUOQSVPOC-CVEARBPZSA-N 2 0 323.525 2.639 20 0 DFADRP CC[C@@H]([NH2+]CCCN1CCC[N@H+](C)CC1)c1cccc(F)c1 ZINC000187968049 200184924 /nfs/dbraw/zinc/18/49/24/200184924.db2.gz DCGSJPIRVQFZTO-GOSISDBHSA-N 2 0 307.457 2.894 20 0 DFADRP CCOC(=O)[C@@H]1CC[C@H]([NH2+]C[C@@H]2CCCC[N@H+](C)C2)C[C@@H]1C ZINC000599071634 398917309 /nfs/dbraw/zinc/91/73/09/398917309.db2.gz RQJDPVFZPKGJFM-LUKYLMHMSA-N 2 0 310.482 2.676 20 0 DFADRP Nc1cc[nH+]cc1C(=O)Nc1cccc(C[NH+]2CCCCC2)c1 ZINC000188080388 200190177 /nfs/dbraw/zinc/19/01/77/200190177.db2.gz NHZIQQYIQQHRAI-UHFFFAOYSA-N 2 0 310.401 2.902 20 0 DFADRP C[C@H](C(=O)NCC[NH2+]C1CCCCCC1)[C@H]([NH3+])c1ccccc1 ZINC000237570424 202288329 /nfs/dbraw/zinc/28/83/29/202288329.db2.gz YWOSDECRYGDDSU-YJBOKZPZSA-N 2 0 317.477 2.751 20 0 DFADRP C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)C2([NH3+])CCCCC2)C1 ZINC000237713891 202334931 /nfs/dbraw/zinc/33/49/31/202334931.db2.gz RTUXHWGLVIKGPO-GASCZTMLSA-N 2 0 309.498 2.521 20 0 DFADRP CC[NH+]1CCC([NH2+]CCc2cc(Cl)c3c(c2)OCCO3)CC1 ZINC000281143720 216108673 /nfs/dbraw/zinc/10/86/73/216108673.db2.gz KLJZIZZESZKROQ-UHFFFAOYSA-N 2 0 324.852 2.728 20 0 DFADRP [NH3+][C@@H](CC(=O)NCCCCC[NH+]1CCCCC1)c1ccccc1 ZINC000237883781 202379781 /nfs/dbraw/zinc/37/97/81/202379781.db2.gz KDXXEIFLSNDNMV-SFHVURJKSA-N 2 0 317.477 2.849 20 0 DFADRP [NH3+]C1(C(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)CCCC1 ZINC000237930355 202395602 /nfs/dbraw/zinc/39/56/02/202395602.db2.gz YFDCOVQAWGARIP-UHFFFAOYSA-N 2 0 315.461 2.560 20 0 DFADRP C[C@H]([NH2+]C[C@@H](O)C(C)(C)C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272646123 299302229 /nfs/dbraw/zinc/30/22/29/299302229.db2.gz JDVCOJVRWJMXKH-CGTJXYLNSA-N 2 0 304.478 2.894 20 0 DFADRP C[C@@H](C[NH2+][C@@H](C)c1ccc(C(=O)N(C)C)cc1)C[NH+]1CCCC1 ZINC000292384149 223038781 /nfs/dbraw/zinc/03/87/81/223038781.db2.gz ZWDDQUMOEWHENG-HOTGVXAUSA-N 2 0 317.477 2.771 20 0 DFADRP C[NH+]1CCN(c2cc(C[NH2+][C@H]3CCC34CCCC4)ccn2)CC1 ZINC000189068731 200343910 /nfs/dbraw/zinc/34/39/10/200343910.db2.gz OXKVZAKIDCAXRS-KRWDZBQOSA-N 2 0 314.477 2.646 20 0 DFADRP Cc1cnc(C[N@@H+]2CCCC[C@@H]2[C@@H](C[NH3+])Cc2ccccc2)cn1 ZINC000471831593 299309433 /nfs/dbraw/zinc/30/94/33/299309433.db2.gz FNJDUGDJKVJWKM-UYAOXDASSA-N 2 0 324.472 2.957 20 0 DFADRP COc1cc2c(cc1F)CC[C@@H]2[NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000281239588 216176194 /nfs/dbraw/zinc/17/61/94/216176194.db2.gz NDIJJWLCFQTZOB-SJCJKPOMSA-N 2 0 304.409 2.896 20 0 DFADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NCC1([NH+](C)C)CC1 ZINC000417387001 296015789 /nfs/dbraw/zinc/01/57/89/296015789.db2.gz TVZQSUJLTYIXTM-SJLPKXTDSA-N 2 0 301.478 2.581 20 0 DFADRP CC[NH+](CC)Cc1ccccc1CNC(=O)[C@H]1CCCC[N@@H+]1C ZINC000599296070 398949868 /nfs/dbraw/zinc/94/98/68/398949868.db2.gz FUEZPUBFWFFZKR-GOSISDBHSA-N 2 0 317.477 2.629 20 0 DFADRP C[C@H]1C[C@H](C)C[NH+](CCC[NH2+]C2CCN(CC(F)F)CC2)C1 ZINC000158658202 398959325 /nfs/dbraw/zinc/95/93/25/398959325.db2.gz OVBRHDCNFYAUKM-GJZGRUSLSA-N 2 0 317.468 2.674 20 0 DFADRP C[C@@H]([NH3+])[C@H](C)C(=O)Nc1ccc(C[NH+]2CCC(C)CC2)cc1 ZINC000192093970 200816231 /nfs/dbraw/zinc/81/62/31/200816231.db2.gz ICLBTNPJFVFSHC-LSDHHAIUSA-N 2 0 303.450 2.840 20 0 DFADRP C[C@@H](CCN1CC[NH+](C)CC1)[NH2+]Cc1cc(Cl)cs1 ZINC000193221972 201007740 /nfs/dbraw/zinc/00/77/40/201007740.db2.gz DEVNHRJVDFELHY-LBPRGKRZSA-N 2 0 301.887 2.517 20 0 DFADRP C[C@@H]([NH3+])CCC(=O)NCc1ccccc1C[N@@H+]1CCC[C@@H](C)C1 ZINC000193295745 201022774 /nfs/dbraw/zinc/02/27/74/201022774.db2.gz ZCWGWPKGSAKKQO-HZPDHXFCSA-N 2 0 317.477 2.662 20 0 DFADRP CC[NH+]1CCN([C@H](C)C[NH2+]Cc2cccn2CCC(C)C)CC1 ZINC000161648574 398977955 /nfs/dbraw/zinc/97/79/55/398977955.db2.gz AWDHJYDFLCZHAX-GOSISDBHSA-N 2 0 320.525 2.650 20 0 DFADRP COCCN1CCC([NH2+]Cc2cccn2CCC(C)C)CC1 ZINC000161795537 398978383 /nfs/dbraw/zinc/97/83/83/398978383.db2.gz JZSOHHAROOFYJI-UHFFFAOYSA-N 2 0 307.482 2.735 20 0 DFADRP CC[C@@H](C[NH2+][C@H](C)CCN1CC[NH+](C)CC1)c1ccccc1 ZINC000473072565 299328523 /nfs/dbraw/zinc/32/85/23/299328523.db2.gz QOEVTFDRBJDSAP-MSOLQXFVSA-N 2 0 303.494 2.796 20 0 DFADRP CCOC(=O)CC[C@H]1CCC[N@H+](CCC[NH+]2CCCCC2)C1 ZINC000162019343 398979895 /nfs/dbraw/zinc/97/98/95/398979895.db2.gz CFMYSNUCKJUODG-QGZVFWFLSA-N 2 0 310.482 2.918 20 0 DFADRP C[C@H](CC[NH+]1CCC([N@H+](C)CCCO)CC1)c1ccccc1 ZINC000193959155 201152446 /nfs/dbraw/zinc/15/24/46/201152446.db2.gz QKTVPRAQSNZNHS-QGZVFWFLSA-N 2 0 304.478 2.959 20 0 DFADRP C[C@@H](C[NH+]1CCN([C@H]2CCC[N@H+](C)C2)CC1)c1ccccc1 ZINC000604885260 398980174 /nfs/dbraw/zinc/98/01/74/398980174.db2.gz UPGNNULJAPXHAW-HKUYNNGSSA-N 2 0 301.478 2.502 20 0 DFADRP C[NH+](C)Cc1cccc(C[NH2+][C@H]2[C@H]3CCO[C@H]3C23CCC3)c1 ZINC000193957751 201153246 /nfs/dbraw/zinc/15/32/46/201153246.db2.gz IYVJSGQETONJHL-FGTMMUONSA-N 2 0 300.446 2.795 20 0 DFADRP CC[C@@H]([NH2+][C@@H](C)CCN1CC[NH+](C)CC1)c1cccc(F)c1 ZINC000275673696 212475368 /nfs/dbraw/zinc/47/53/68/212475368.db2.gz HNAXWMRUEWOBGD-MAUKXSAKSA-N 2 0 307.457 2.892 20 0 DFADRP CC(C)c1ccc([C@H]([NH3+])CNC(=O)[C@@H]2[NH2+]CCCC2(C)C)cc1 ZINC000417783758 296050521 /nfs/dbraw/zinc/05/05/21/296050521.db2.gz ACBCRQLGFXQQHR-SJORKVTESA-N 2 0 317.477 2.704 20 0 DFADRP CC(C)(C(=O)N[C@H](C[NH3+])C1CCCCC1)[C@@H]([NH3+])c1ccccc1 ZINC000417800401 296052179 /nfs/dbraw/zinc/05/21/79/296052179.db2.gz SOGCASGBLSWAMM-SJORKVTESA-N 2 0 317.477 2.736 20 0 DFADRP C[N@H+](Cc1ccccc1)CC(C)(C)C[NH2+]CC1=CC[NH+](C)CC1 ZINC000271842352 209260025 /nfs/dbraw/zinc/26/00/25/209260025.db2.gz QZWLQUGVYXYHKI-UHFFFAOYSA-N 3 0 315.505 2.996 20 0 DFADRP CCc1cccc(F)c1C[NH2+]C[C@@H](C)CN1CC[NH+](CC)CC1 ZINC000474734783 299338931 /nfs/dbraw/zinc/33/89/31/299338931.db2.gz JHOFNVVKEQQFFJ-MRXNPFEDSA-N 2 0 321.484 2.751 20 0 DFADRP C[C@@H](CC(=O)N[C@H](CCC[NH3+])c1ccccc1)C1CC[NH2+]CC1 ZINC000417828794 296055513 /nfs/dbraw/zinc/05/55/13/296055513.db2.gz HSRJABVBDYJXTI-MAUKXSAKSA-N 2 0 317.477 2.609 20 0 DFADRP C[C@@H]([NH2+]CCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1)c1cccc(CO)c1 ZINC000271838403 209258079 /nfs/dbraw/zinc/25/80/79/209258079.db2.gz BFUAEZSEBBSPTK-IXDOHACOSA-N 2 0 320.477 2.719 20 0 DFADRP CC[NH+](CC)[C@@H](CNC(=O)CC[C@H]1CCC[NH2+]C1)CC(C)C ZINC000621641865 399006159 /nfs/dbraw/zinc/00/61/59/399006159.db2.gz YXCBEVBJTIPHBE-IAGOWNOFSA-N 2 0 311.514 2.639 20 0 DFADRP CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)CC[C@H]1CCC[NH2+]C1 ZINC000621642036 399006343 /nfs/dbraw/zinc/00/63/43/399006343.db2.gz CDMFOQBAIYSXEK-IAGOWNOFSA-N 2 0 309.498 2.537 20 0 DFADRP OC[C@H]1CCC[N@@H+]1CCCC[NH2+]C[C@@H]1C[C@H]1c1ccccc1 ZINC000417927247 296063854 /nfs/dbraw/zinc/06/38/54/296063854.db2.gz LSARHOULRKMHSQ-OTWHNJEPSA-N 2 0 302.462 2.617 20 0 DFADRP C[C@H]([NH2+]CC1=CC[N@H+](C)CC1)c1cnn(Cc2ccccc2)c1 ZINC000271811115 209235721 /nfs/dbraw/zinc/23/57/21/209235721.db2.gz AURPKFKTPVHZAA-INIZCTEOSA-N 2 0 310.445 2.844 20 0 DFADRP CC[C@@H](C[NH+]1CCCC1)NC(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000605397966 399016926 /nfs/dbraw/zinc/01/69/26/399016926.db2.gz GOIZFKQYKQKOAU-INIZCTEOSA-N 2 0 318.465 2.744 20 0 DFADRP C[C@H](C[NH2+][C@H](c1ccccc1)C1CC1)CN1CC[NH+](C)CC1 ZINC000091320553 193040560 /nfs/dbraw/zinc/04/05/60/193040560.db2.gz ONJOPNWAOCBWQF-VQIMIIECSA-N 2 0 301.478 2.611 20 0 DFADRP CCCC[C@@H](C[NH3+])NC(=O)NC[C@@H]1CCC[N@@H+]1C1CCCCC1 ZINC000418143979 296080661 /nfs/dbraw/zinc/08/06/61/296080661.db2.gz RQZWHSGIRBBWIY-RDJZCZTQSA-N 2 0 324.513 2.600 20 0 DFADRP CCOc1cncc(C[NH+]2CCC(C[NH+]3CCCC3)CC2)c1 ZINC000621711543 399037891 /nfs/dbraw/zinc/03/78/91/399037891.db2.gz YGALWWPKUCAHRD-UHFFFAOYSA-N 2 0 303.450 2.788 20 0 DFADRP CC(=O)N1CC[C@@H]([NH2+]C[C@H](C)C[NH+]2CCCC2)c2ccccc21 ZINC000621750398 399065249 /nfs/dbraw/zinc/06/52/49/399065249.db2.gz OMYAODAXMCLCGV-MAUKXSAKSA-N 2 0 315.461 2.806 20 0 DFADRP C[NH+](C)C1CCN(CC[NH2+][C@H](c2ccc(F)cc2)C2CC2)CC1 ZINC000271767468 209197310 /nfs/dbraw/zinc/19/73/10/209197310.db2.gz UFXZXUXKHDROQO-IBGZPJMESA-N 2 0 319.468 2.892 20 0 DFADRP COc1ccc(OC(F)F)c(C[NH2+]CC2=CC[N@H+](C)CC2)c1 ZINC000271775194 209204495 /nfs/dbraw/zinc/20/44/95/209204495.db2.gz CJWPWPHQGNAGPD-UHFFFAOYSA-N 2 0 312.360 2.648 20 0 DFADRP CCC[N@H+](CC)Cc1ccc(C(=O)N[C@H]2C[NH2+]CC[C@@H]2C)cc1 ZINC000275188065 212182338 /nfs/dbraw/zinc/18/23/38/212182338.db2.gz YRBZZTLVZHVISI-YJBOKZPZSA-N 2 0 317.477 2.646 20 0 DFADRP CCC[C@](C)([NH3+])C(=O)N[C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000261545208 203075010 /nfs/dbraw/zinc/07/50/10/203075010.db2.gz JQMSQMHRUDDNDJ-IEZWGBDMSA-N 2 0 317.477 2.531 20 0 DFADRP CCOc1cc(C[N@H+](C)CC2CC[NH+](C)CC2)ccc1OC ZINC000093088902 193202244 /nfs/dbraw/zinc/20/22/44/193202244.db2.gz GUHSQMLAXYDJHG-UHFFFAOYSA-N 2 0 306.450 2.868 20 0 DFADRP CC[NH+]1CCN([C@@H]2CC[N@H+](Cc3cccc(C)c3C)C2)CC1 ZINC000093132936 193205211 /nfs/dbraw/zinc/20/52/11/193205211.db2.gz NAWMSCVCJYRMTD-LJQANCHMSA-N 2 0 301.478 2.515 20 0 DFADRP C[C@H](C[NH3+])C(=O)Nc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000262370225 203275094 /nfs/dbraw/zinc/27/50/94/203275094.db2.gz LPBMKFNWTYEJLG-CQSZACIVSA-N 2 0 303.450 2.984 20 0 DFADRP C[C@H]1C[C@@H](C(=O)Nc2cccc(CC[NH+]3CCCC3)c2)CC[NH2+]1 ZINC000262330078 203264765 /nfs/dbraw/zinc/26/47/65/203264765.db2.gz FDMFVXWXWOAOMC-RDJZCZTQSA-N 2 0 315.461 2.652 20 0 DFADRP CC[NH+](CC)CCC[C@@H](C)NC(=O)[C@H]([NH3+])c1ccc(C)cc1 ZINC000262524123 203319241 /nfs/dbraw/zinc/31/92/41/203319241.db2.gz OQSGRZLZDZVSAF-NVXWUHKLSA-N 2 0 305.466 2.622 20 0 DFADRP CC[N@@H+]1CCC[C@H](N[C@@H]2CC[NH+](C)[C@H](c3ccccc3)C2)C1 ZINC000340193110 284156993 /nfs/dbraw/zinc/15/69/93/284156993.db2.gz SLWCHIPIKPJVBS-QYZOEREBSA-N 2 0 301.478 2.896 20 0 DFADRP CCOC(=O)C1([C@@H](C)[NH2+]CC[C@H]2CC=CCC2)CC[NH2+]CC1 ZINC000600711905 399120476 /nfs/dbraw/zinc/12/04/76/399120476.db2.gz UGGICEDEQAHJAO-CVEARBPZSA-N 2 0 308.466 2.644 20 0 DFADRP C[N@@H+](CC1=CCCOC1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000093336975 193232935 /nfs/dbraw/zinc/23/29/35/193232935.db2.gz OCXPSIWUHQXBIP-GOSISDBHSA-N 2 0 300.446 2.787 20 0 DFADRP Cc1ccc([C@H]([NH3+])C(=O)NCCCC[N@H+]2CCCC[C@H]2C)cc1 ZINC000262647005 203363943 /nfs/dbraw/zinc/36/39/43/203363943.db2.gz KGHCUOHUSQLLFM-AEFFLSMTSA-N 2 0 317.477 2.766 20 0 DFADRP C[C@H](C(=O)N(C)CC[C@@H]1CCCC[N@@H+]1C)[C@H]([NH3+])c1ccccc1 ZINC000262681442 203379983 /nfs/dbraw/zinc/37/99/83/203379983.db2.gz XKMGCYIECDJXHE-SZMVWBNQSA-N 2 0 317.477 2.655 20 0 DFADRP CCC[C@](C)([NH3+])C(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000262713959 203390161 /nfs/dbraw/zinc/39/01/61/203390161.db2.gz SXYVLUKNTHYQAX-KRWDZBQOSA-N 2 0 321.490 2.691 20 0 DFADRP CC[N@@H+]1CC[C@H]([NH+](C)Cc2c[nH]nc2-c2cccnc2)[C@H](C)C1 ZINC000093639531 193277984 /nfs/dbraw/zinc/27/79/84/193277984.db2.gz LJWGWSDZTIIHJT-PBHICJAKSA-N 2 0 313.449 2.634 20 0 DFADRP COc1ccc(C[NH+]2CCC(CCC[NH+](C)C)CC2)cc1O ZINC000093688495 193289740 /nfs/dbraw/zinc/28/97/40/193289740.db2.gz JREDFWAOHUXELX-UHFFFAOYSA-N 2 0 306.450 2.955 20 0 DFADRP COC(=O)c1cc(C[N@@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)cs1 ZINC000595900964 399128152 /nfs/dbraw/zinc/12/81/52/399128152.db2.gz QJKYHDWNVMYVQR-OAHLLOKOSA-N 2 0 322.474 2.746 20 0 DFADRP C[N@H+](Cc1ccccc1)CC(C)(C)C[NH2+]C[C@@H]1CCC[C@H]1O ZINC000080205628 399126836 /nfs/dbraw/zinc/12/68/36/399126836.db2.gz BGRSOLJQDIETQL-ZWKOTPCHSA-N 2 0 304.478 2.895 20 0 DFADRP C[C@H]([NH2+]C1CCC(O)CC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000274925764 212038160 /nfs/dbraw/zinc/03/81/60/212038160.db2.gz PUAXHTIDCGBMRS-XMZVIZOASA-N 2 0 302.462 2.790 20 0 DFADRP CCOc1cc2[nH+]ccc(N3CC[C@@H](C[NH3+])C3)c2cc1OCC ZINC000420175295 296160317 /nfs/dbraw/zinc/16/03/17/296160317.db2.gz VBBPXPGYKHZUCU-ZDUSSCGKSA-N 2 0 315.417 2.817 20 0 DFADRP CCOc1cc2[nH+]ccc(N3CC[C@H](C[NH3+])C3)c2cc1OCC ZINC000420175294 296160381 /nfs/dbraw/zinc/16/03/81/296160381.db2.gz VBBPXPGYKHZUCU-CYBMUJFWSA-N 2 0 315.417 2.817 20 0 DFADRP C[C@H]([NH2+]CCN1CC[N@H+](C)C(C)(C)C1)c1cccc(F)c1F ZINC000282450527 217004128 /nfs/dbraw/zinc/00/41/28/217004128.db2.gz UZVDFEMQHKDBAU-ZDUSSCGKSA-N 2 0 311.420 2.641 20 0 DFADRP C[NH2+]CC1CCN(c2cc[nH+]c3cc(F)c(OC)cc32)CC1 ZINC000420187655 296161158 /nfs/dbraw/zinc/16/11/58/296161158.db2.gz MFDLBOJPJZYNBB-UHFFFAOYSA-N 2 0 303.381 2.818 20 0 DFADRP CCc1c(C)[nH+]c2ccccc2c1N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000420252458 296165863 /nfs/dbraw/zinc/16/58/63/296165863.db2.gz BCCOGCIJTNRILO-MRXNPFEDSA-N 2 0 324.472 2.590 20 0 DFADRP CC(C)[NH+]1CCC(O)(C[NH2+][C@@H]2CCC[C@H](C(F)(F)F)C2)CC1 ZINC000438195179 297084434 /nfs/dbraw/zinc/08/44/34/297084434.db2.gz ZXPSRODMWAMLID-UONOGXRCSA-N 2 0 322.415 2.932 20 0 DFADRP C[C@@H]([NH3+])[C@H]1CCCCN1CCC(=O)Nc1ccc(Cl)cc1 ZINC000420279925 296168589 /nfs/dbraw/zinc/16/85/89/296168589.db2.gz XTXASAQXVIHMTO-IUODEOHRSA-N 2 0 309.841 2.870 20 0 DFADRP C[C@H]1CN(c2ccnc3ccc(Br)cc32)C[C@@H]1[NH3+] ZINC000420285911 296169441 /nfs/dbraw/zinc/16/94/41/296169441.db2.gz VWPDXYUNXHVBAU-CABZTGNLSA-N 2 0 306.207 2.781 20 0 DFADRP CC[N@H+](Cc1ccc(C(=O)N[C@@H](C)CC[NH+](C)C)cc1)C(C)C ZINC000264902107 204253364 /nfs/dbraw/zinc/25/33/64/204253364.db2.gz LORAXCVNZRTJLR-INIZCTEOSA-N 2 0 319.493 2.987 20 0 DFADRP OCCC[N@H+](CC[C@H]1CCC[NH2+]C1)[C@@H]1CCc2ccccc21 ZINC000420295595 296170561 /nfs/dbraw/zinc/17/05/61/296170561.db2.gz CFJAKNYHLNVXDA-VQIMIIECSA-N 2 0 302.462 2.748 20 0 DFADRP CC[N@H+](CC[C@@H]1CCC[NH2+]C1)[C@H](COC)Cc1ccccc1 ZINC000420295218 296170691 /nfs/dbraw/zinc/17/06/91/296170691.db2.gz BXVFPVRQOIKKHT-OALUTQOASA-N 2 0 304.478 2.956 20 0 DFADRP C[C@@H]1CCCN(c2cc(NC[C@H]3CCC[C@H]([NH3+])C3)ncn2)C1 ZINC000420293101 296170196 /nfs/dbraw/zinc/17/01/96/296170196.db2.gz XLGFRXPWGDIBMN-ILXRZTDVSA-N 2 0 303.454 2.642 20 0 DFADRP C(C[NH+]1CCC(C[NH+]2CCCCCC2)CC1)OC[C@@H]1CCCO1 ZINC000607356831 399159372 /nfs/dbraw/zinc/15/93/72/399159372.db2.gz AFPQBFZYTWMKSI-IBGZPJMESA-N 2 0 324.509 2.770 20 0 DFADRP Cc1cc(C)c(NC(=O)C[N@H+](C)CC[C@H]2CCC[NH2+]C2)c(C)c1 ZINC000420300138 296171331 /nfs/dbraw/zinc/17/13/31/296171331.db2.gz HIKMMUPILFFNET-QGZVFWFLSA-N 2 0 317.477 2.872 20 0 DFADRP Cc1ccccc1[C@@H]1CC[N@H+](C[C@H](O)[C@@H]([NH3+])Cc2ccccc2)C1 ZINC000420299481 296171362 /nfs/dbraw/zinc/17/13/62/296171362.db2.gz ITVMVORHQAAGDC-GIVPXCGWSA-N 2 0 324.468 2.715 20 0 DFADRP CC[NH+](CC)CCN(CC[C@H]1CC[NH2+]C1)Cc1cccs1 ZINC000420303411 296172056 /nfs/dbraw/zinc/17/20/56/296172056.db2.gz NIDDBTOVDQKFRB-MRXNPFEDSA-N 2 0 309.523 2.892 20 0 DFADRP Cc1cc(C)cc(NC(=O)[C@@H](C)[N@@H+]2CCC3(C2)CC[NH2+]CC3)c1 ZINC000420304314 296172344 /nfs/dbraw/zinc/17/23/44/296172344.db2.gz IOSJNSKZYYLGNG-MRXNPFEDSA-N 2 0 315.461 2.706 20 0 DFADRP C[NH2+]CCC1CC[NH+](Cc2ccc(C(F)(F)F)cn2)CC1 ZINC000420307321 296172522 /nfs/dbraw/zinc/17/25/22/296172522.db2.gz LUYHFHNCKWHANG-UHFFFAOYSA-N 2 0 301.356 2.922 20 0 DFADRP OCC[N@H+](CC[C@@H]1CCC[NH2+]C1)[C@@H]1CCCc2ccccc21 ZINC000420306585 296172634 /nfs/dbraw/zinc/17/26/34/296172634.db2.gz QLIBSLBCGLXTLK-QFBILLFUSA-N 2 0 302.462 2.748 20 0 DFADRP c1cc(C[N@@H+](CC[C@@H]2CC[NH2+]C2)[C@@H]2CC23CC[NH2+]CC3)cs1 ZINC000420309514 296173064 /nfs/dbraw/zinc/17/30/64/296173064.db2.gz LNNUSNOQNHAVGX-DOTOQJQBSA-N 3 0 319.518 2.692 20 0 DFADRP CC(C)C[C@@H]1CCCC[N@@H+]1C[C@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC000420308099 296173075 /nfs/dbraw/zinc/17/30/75/296173075.db2.gz RZJSFWWGRHUFIL-FHWLQOOXSA-N 2 0 304.478 2.818 20 0 DFADRP CN(Cc1cncc(OCc2ccccc2)c1)[C@H](C[NH3+])C1CC1 ZINC000420312350 296173295 /nfs/dbraw/zinc/17/32/95/296173295.db2.gz IJKIVPAXMZAVLZ-LJQANCHMSA-N 2 0 311.429 2.830 20 0 DFADRP C[N@H+](CCOc1ccc(Cl)c(F)c1)[C@@H]1CCC[NH2+]CC1 ZINC000420310623 296173324 /nfs/dbraw/zinc/17/33/24/296173324.db2.gz MNTFZIQEKAFPSF-GFCCVEGCSA-N 2 0 300.805 2.932 20 0 DFADRP O=C(c1ccc(F)cc1)[C@@H]1CCC[N@H+](CC[C@@H]2CC[NH2+]C2)C1 ZINC000420312285 296173445 /nfs/dbraw/zinc/17/34/45/296173445.db2.gz WQNDRNWJNBBYAF-GOEBONIOSA-N 2 0 304.409 2.720 20 0 DFADRP O=C(CC1CCCC1)NC1CC[NH+](CC[C@H]2CCC[NH2+]C2)CC1 ZINC000420312818 296173599 /nfs/dbraw/zinc/17/35/99/296173599.db2.gz XIUIGFBJNYQEGK-QGZVFWFLSA-N 2 0 321.509 2.537 20 0 DFADRP [NH3+][C@@H]1CCC[C@H]2C[N@H+](CCOc3ccc(Cl)c(F)c3)C[C@H]21 ZINC000420313483 296173825 /nfs/dbraw/zinc/17/38/25/296173825.db2.gz UCEFFYLGBFHJGJ-NORZTCDRSA-N 2 0 312.816 2.917 20 0 DFADRP CCOc1ccccc1NC(=O)CC[N@@H+]1CCCC[C@@H]1CC[NH3+] ZINC000420314367 296173868 /nfs/dbraw/zinc/17/38/68/296173868.db2.gz KSRCHVYADJPSIP-OAHLLOKOSA-N 2 0 319.449 2.617 20 0 DFADRP CC[NH+](CC)CCNC(=O)c1ccc(C[NH+](CC)CC)cc1 ZINC000096568083 193680268 /nfs/dbraw/zinc/68/02/68/193680268.db2.gz AXNVBDVDUTYHCA-UHFFFAOYSA-N 2 0 305.466 2.600 20 0 DFADRP COc1ccc([C@H](C[NH3+])C[N@@H+]2CCc3ccc(O)cc3C2)cc1 ZINC000420318361 296174430 /nfs/dbraw/zinc/17/44/30/296174430.db2.gz ONTWPZGBJCNVAP-QGZVFWFLSA-N 2 0 312.413 2.501 20 0 DFADRP Clc1cccc([C@@H]2C[NH2+]CCN2CC[C@@H]2CCC[NH2+]C2)c1 ZINC000420322565 296174739 /nfs/dbraw/zinc/17/47/39/296174739.db2.gz WSKYJUJFCADDLK-YOEHRIQHSA-N 2 0 307.869 2.676 20 0 DFADRP C[C@@H]1C[C@H]([N@H+](C)CC[C@H]2CC[NH2+]C2)CCN1Cc1ccccc1 ZINC000420318851 296174307 /nfs/dbraw/zinc/17/43/07/296174307.db2.gz ORXXQSHYOMNUPG-QWFCFKBJSA-N 2 0 315.505 2.971 20 0 DFADRP COC(=O)[C@H](c1ccccc1C)[N@@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420326723 296175514 /nfs/dbraw/zinc/17/55/14/296175514.db2.gz KOGLQVVGABCJAP-NUJGCVRESA-N 2 0 316.445 2.531 20 0 DFADRP c1cc2c(cc1[C@@H]1CCC[N@H+]1CC[C@@H]1CC[NH2+]C1)OCCO2 ZINC000420327854 296176191 /nfs/dbraw/zinc/17/61/91/296176191.db2.gz YZNAZGGOILXWTI-HOCLYGCPSA-N 2 0 302.418 2.594 20 0 DFADRP FC(F)(F)c1ccc(C[N@@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)nc1 ZINC000420331621 296176374 /nfs/dbraw/zinc/17/63/74/296176374.db2.gz RAZYCSCLZNZZFB-QWHCGFSZSA-N 2 0 313.367 2.922 20 0 DFADRP Cc1cc(C)n(-c2ccc(C[N@H+]3CC[C@H]4C[NH2+]C[C@H]4CC3)cc2)n1 ZINC000420330418 296176494 /nfs/dbraw/zinc/17/64/94/296176494.db2.gz IAZLGGQPVJFLFC-KDURUIRLSA-N 2 0 324.472 2.921 20 0 DFADRP C[C@@H](C(=O)Nc1cccc(Cl)c1)[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000420327690 296176001 /nfs/dbraw/zinc/17/60/01/296176001.db2.gz DNWLSXNEVMQGPP-MELADBBJSA-N 2 0 321.852 2.598 20 0 DFADRP CCC[NH+]1CCC([N@H+](C)Cc2ccc3c(c2)ncn3C)CC1 ZINC000271723878 209158304 /nfs/dbraw/zinc/15/83/04/209158304.db2.gz KWRGEKGRDRLSEO-UHFFFAOYSA-N 2 0 300.450 2.880 20 0 DFADRP Cc1cc(C)cc(NC(=O)C[N@@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)c1 ZINC000420339003 296177580 /nfs/dbraw/zinc/17/75/80/296177580.db2.gz LJXCDZZEXPVSHG-DLBZAZTESA-N 2 0 315.461 2.563 20 0 DFADRP COCCOCCC[NH2+][C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000274878174 212003411 /nfs/dbraw/zinc/00/34/11/212003411.db2.gz HACBGEBBYPNHDE-PKOBYXMFSA-N 2 0 320.477 2.540 20 0 DFADRP O=C(CC[N@@H+]1CCC[C@]2(CC[NH2+]C2)C1)Nc1ccccc1Cl ZINC000420353497 296178935 /nfs/dbraw/zinc/17/89/35/296178935.db2.gz BBBHDOMPLZQITD-QGZVFWFLSA-N 2 0 321.852 2.744 20 0 DFADRP CC1(C)C[NH2+]CC[C@H]1[NH2+]CCC(=O)Nc1ccccc1Cl ZINC000420356371 296179149 /nfs/dbraw/zinc/17/91/49/296179149.db2.gz GHKDRAWOHXSVLK-CQSZACIVSA-N 2 0 309.841 2.646 20 0 DFADRP CC1(C)C[NH2+]CC[C@H]1[NH2+]CCCc1nc(-c2cccs2)no1 ZINC000420358460 296179681 /nfs/dbraw/zinc/17/96/81/296179681.db2.gz ITYTUBKWWYFYFD-CYBMUJFWSA-N 2 0 320.462 2.708 20 0 DFADRP C[C@H](CC(=O)OC(C)(C)C)[NH2+]C[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000596096637 399171791 /nfs/dbraw/zinc/17/17/91/399171791.db2.gz WCCFJGSUEMBKOG-GDBMZVCRSA-N 2 0 310.482 2.818 20 0 DFADRP CC(=O)c1ccc2c(c1)CC[N@@H+](CC[C@@H]1CCC[NH2+]C1)CC2 ZINC000420363621 296180315 /nfs/dbraw/zinc/18/03/15/296180315.db2.gz BQJMJXBXLUMGBP-INIZCTEOSA-N 2 0 300.446 2.680 20 0 DFADRP C[C@H](c1ccsc1)N1CC[NH+](CC[C@H]2CCC[NH2+]C2)CC1 ZINC000420362006 296180489 /nfs/dbraw/zinc/18/04/89/296180489.db2.gz AAXISLIREWVMRN-HZPDHXFCSA-N 2 0 307.507 2.816 20 0 DFADRP C[C@@H](c1cccc(F)c1)N1CC[NH+](CC[C@H]2CCC[NH2+]C2)CC1 ZINC000420369037 296181665 /nfs/dbraw/zinc/18/16/65/296181665.db2.gz XJQYNAFYKFXMTB-DLBZAZTESA-N 2 0 319.468 2.894 20 0 DFADRP COc1cccc([C@H](C)[NH+]2CCC([C@H]3OCCC[C@@H]3[NH3+])CC2)c1 ZINC000420374998 296182289 /nfs/dbraw/zinc/18/22/89/296182289.db2.gz IFMCCRJPGYYYFE-ZOCIIQOWSA-N 2 0 318.461 2.975 20 0 DFADRP C[C@@H]1CCCC[C@@H]1OCC[NH+]1CCC([C@H]2C[C@@H]([NH3+])CCO2)CC1 ZINC000420383279 296183974 /nfs/dbraw/zinc/18/39/74/296183974.db2.gz FNYDQPVJAIDGAZ-XGXHKWSGSA-N 2 0 324.509 2.800 20 0 DFADRP C[C@@H]1CCCC[C@@H]1OCC[NH+]1CCC([C@H]2OCCC[C@H]2[NH3+])CC1 ZINC000420382948 296184125 /nfs/dbraw/zinc/18/41/25/296184125.db2.gz QADNZUMEUUAYHP-OQIJWPOYSA-N 2 0 324.509 2.800 20 0 DFADRP [NH3+][C@H]1CCCO[C@H]1C1CC[NH+](CCCc2ccccc2)CC1 ZINC000420388188 296184708 /nfs/dbraw/zinc/18/47/08/296184708.db2.gz WYKLTDKPCDSXKH-OALUTQOASA-N 2 0 302.462 2.838 20 0 DFADRP c1cc(CC[N@@H+]2CCCC[C@H]2[C@@H]2CC[NH2+]C2)cc2c1OCC2 ZINC000420390170 296184752 /nfs/dbraw/zinc/18/47/52/296184752.db2.gz HYQIYNQMLALTQN-MSOLQXFVSA-N 2 0 300.446 2.628 20 0 DFADRP O=C(CC[N@@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1)Nc1cccc(F)c1 ZINC000420390943 296185496 /nfs/dbraw/zinc/18/54/96/296185496.db2.gz IBDNHWMSNBMRPP-RHSMWYFYSA-N 2 0 319.424 2.618 20 0 DFADRP [NH3+][C@H]1CCCO[C@H]1C1CC[NH+](CCSc2ccccc2)CC1 ZINC000420389059 296185036 /nfs/dbraw/zinc/18/50/36/296185036.db2.gz XTVAJLLCUDFDNG-ROUUACIJSA-N 2 0 320.502 2.997 20 0 DFADRP CN1CC[C@H]([NH2+]CC[C@@H]2CCC[NH2+]C2)[C@H]1c1ccc(F)c(F)c1 ZINC000420397357 296185692 /nfs/dbraw/zinc/18/56/92/296185692.db2.gz FZMLPNREHDWTON-DOPJRALCSA-N 2 0 323.431 2.689 20 0 DFADRP CCOc1ccc(OCC[N@@H+]2CCCC[C@H]2[C@H]2CC[NH2+]C2)cc1 ZINC000420400317 296185980 /nfs/dbraw/zinc/18/59/80/296185980.db2.gz ORZOQXUJMYZBPQ-LPHOPBHVSA-N 2 0 318.461 2.928 20 0 DFADRP CC(C)(C)c1ccc(OCCC[N@@H+]2CCCO[C@H](C[NH3+])C2)cc1 ZINC000420397699 296186111 /nfs/dbraw/zinc/18/61/11/296186111.db2.gz XXDDRIRGLCWSAB-GOSISDBHSA-N 2 0 320.477 2.803 20 0 DFADRP [NH3+]CCOCC[NH2+][C@H](c1cccc(C(F)(F)F)c1)C1CC1 ZINC000420401304 296186547 /nfs/dbraw/zinc/18/65/47/296186547.db2.gz JCEOMGWMJUSNME-AWEZNQCLSA-N 2 0 302.340 2.721 20 0 DFADRP Fc1ccc([C@H]2OCC[C@H]2[NH2+]CCC2CC[NH2+]CC2)cc1F ZINC000420412242 296187615 /nfs/dbraw/zinc/18/76/15/296187615.db2.gz SGJMVVLGIRFKOY-IAGOWNOFSA-N 2 0 310.388 2.774 20 0 DFADRP C[NH2+]CCC[NH2+][C@@H](C)c1ccc(NC(=O)c2ccncc2)cc1 ZINC000420406700 296187091 /nfs/dbraw/zinc/18/70/91/296187091.db2.gz NVUDJHUCLVSMBC-AWEZNQCLSA-N 2 0 312.417 2.594 20 0 DFADRP CN1CC[C@H]([NH2+]CCC2CC[NH2+]CC2)[C@@H]1c1ccc(F)c(F)c1 ZINC000420407195 296187105 /nfs/dbraw/zinc/18/71/05/296187105.db2.gz OEIATNREZZHWTQ-ROUUACIJSA-N 2 0 323.431 2.689 20 0 DFADRP CC(C)N1CC[C@H]([NH2+]CCC[NH3+])[C@H]1c1ccc(Cl)c(F)c1 ZINC000420412767 296187870 /nfs/dbraw/zinc/18/78/70/296187870.db2.gz SQKVCJJUDQWEEX-JKSUJKDBSA-N 2 0 313.848 2.941 20 0 DFADRP [NH3+]CCOCC[NH2+][C@H]1CCC[C@@H]1c1ccccc1C(F)(F)F ZINC000420421152 296188285 /nfs/dbraw/zinc/18/82/85/296188285.db2.gz YLVKICLVJZGOAA-HIFRSBDPSA-N 2 0 316.367 2.906 20 0 DFADRP Fc1ccc([C@@H]2OCC[C@@H]2[NH2+]CC[C@H]2CCC[NH2+]C2)cc1F ZINC000420421926 296188305 /nfs/dbraw/zinc/18/83/05/296188305.db2.gz YZIZOBIRRGEBPA-DQYPLSBCSA-N 2 0 310.388 2.774 20 0 DFADRP CN1CCCC[C@@H]1C(=O)Nc1ccc(-n2ccnc2)c(Cl)c1 ZINC000600981096 399193823 /nfs/dbraw/zinc/19/38/23/399193823.db2.gz SPLNVXKFVVOQAA-OAHLLOKOSA-N 2 0 318.808 2.949 20 0 DFADRP COc1cc2[nH+]ccc(N(C)C[C@H]3CCC[N@@H+]3C)c2cc1OC ZINC000420628641 296193812 /nfs/dbraw/zinc/19/38/12/296193812.db2.gz BIMFECPPOLOZKF-CYBMUJFWSA-N 2 0 315.417 2.782 20 0 DFADRP CC[C@@H]1C[N@H+](C)CCCN1C(=O)[C@H]1CC[NH+](C2CCCCC2)C1 ZINC000614331279 399209855 /nfs/dbraw/zinc/20/98/55/399209855.db2.gz PJXYWLCHEVHXIG-DLBZAZTESA-N 2 0 321.509 2.584 20 0 DFADRP Cc1ccc([C@@H]([NH2+]CC2(O)CC[NH+](C)CC2)C2CCCC2)o1 ZINC000342802504 284416568 /nfs/dbraw/zinc/41/65/68/284416568.db2.gz NFHZMUMCUJISIC-KRWDZBQOSA-N 2 0 306.450 2.866 20 0 DFADRP CC[N@@H+]1CC[C@H]([NH+](C)CCc2nc3ccccc3n2C)[C@@H](C)C1 ZINC000267447230 206073101 /nfs/dbraw/zinc/07/31/01/206073101.db2.gz KMBCZUNKVIWJBF-RDJZCZTQSA-N 2 0 314.477 2.778 20 0 DFADRP CC[NH+](CC)Cc1ccc(C(=O)N2CC[C@H]([NH+](CC)CC)C2)o1 ZINC000608226212 399244487 /nfs/dbraw/zinc/24/44/87/399244487.db2.gz HVDUCZWMWAAAHF-HNNXBMFYSA-N 2 0 321.465 2.678 20 0 DFADRP C[C@@H]1C[C@H](C(=O)OC(C)(C)C)C[N@H+](CC[C@@H]2CCC[NH+]2C)C1 ZINC000421028824 296228300 /nfs/dbraw/zinc/22/83/00/296228300.db2.gz UOLHOBGZEVGAHG-PMPSAXMXSA-N 2 0 310.482 2.770 20 0 DFADRP CC[NH+](CC)CCN(CC(C)C)C(=O)c1ccc2c(c1)C[NH2+]C2 ZINC000261636201 284614363 /nfs/dbraw/zinc/61/43/63/284614363.db2.gz DNIIPGHAHDSXMH-UHFFFAOYSA-N 2 0 317.477 2.730 20 0 DFADRP CC[C@H](C(=O)NC[C@H](C1CCCCC1)[NH+](C)C)[NH+](CC)CC ZINC000344648563 284666331 /nfs/dbraw/zinc/66/63/31/284666331.db2.gz DGJSZNMGKXTANU-IAGOWNOFSA-N 2 0 311.514 2.734 20 0 DFADRP CC(C)[C@H](C[NH2+][C@H](C)c1ccncc1Cl)N1CC[NH+](C)CC1 ZINC000421821346 296276895 /nfs/dbraw/zinc/27/68/95/296276895.db2.gz QZTOZLISZHETNE-PBHICJAKSA-N 2 0 324.900 2.658 20 0 DFADRP C[C@H]([NH2+]C1CCC([NH+](C)C)CC1)c1cccc(-n2ccnn2)c1 ZINC000421879081 296278503 /nfs/dbraw/zinc/27/85/03/296278503.db2.gz OLCMVEMKTUFNEB-OOHWJJMZSA-N 2 0 313.449 2.791 20 0 DFADRP CC[N@@H+]1CC[C@@H](NCc2cccc(N3CCCC3=O)c2)[C@H](C)C1 ZINC000155274673 295315877 /nfs/dbraw/zinc/31/58/77/295315877.db2.gz DIBMUMJBUSUWHS-CRAIPNDOSA-N 2 0 315.461 2.633 20 0 DFADRP C[NH+](C)CCC1CC[NH+](CC(=O)NCCC2=CCCCC2)CC1 ZINC000615464295 399340808 /nfs/dbraw/zinc/34/08/08/399340808.db2.gz YCWMJZKHLNZRBF-UHFFFAOYSA-N 2 0 321.509 2.657 20 0 DFADRP C[C@H]([NH2+]CCC1(O)CCC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000284410769 218017213 /nfs/dbraw/zinc/01/72/13/218017213.db2.gz QLDQZMURVOMSOZ-WMZOPIPTSA-N 2 0 302.462 2.792 20 0 DFADRP CC(C)[NH+]1CCN([C@H]2CC[N@H+](C[C@H](C)c3ccccc3)C2)CC1 ZINC000610250402 399350935 /nfs/dbraw/zinc/35/09/35/399350935.db2.gz DGSOEVRDJKVMEI-ICSRJNTNSA-N 2 0 315.505 2.890 20 0 DFADRP C[NH+]1CCN(CC[C@@H]2CCCC[N@H+]2C)C[C@@H]1Cc1ccccc1 ZINC000284681262 218131076 /nfs/dbraw/zinc/13/10/76/218131076.db2.gz GXXGDZLXLUWOQN-PMACEKPBSA-N 2 0 315.505 2.720 20 0 DFADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+]Cc2cccc3[nH]ccc32)CC1 ZINC000105441093 194104204 /nfs/dbraw/zinc/10/42/04/194104204.db2.gz BYGQJUBZRIEYSC-INIZCTEOSA-N 2 0 314.477 2.531 20 0 DFADRP C[N@@H+]1CC[C@H](N[C@@H]2CC[NH+](Cc3ccccc3)C2)CC1(C)C ZINC000623338313 399365590 /nfs/dbraw/zinc/36/55/90/399365590.db2.gz UVTRMUKKKLVGQE-ZWKOTPCHSA-N 2 0 301.478 2.723 20 0 DFADRP C[C@H](N[C@H]1CC[N@H+](C)C(C)(C)C1)c1nnc2n1CCCCC2 ZINC000623352099 399369266 /nfs/dbraw/zinc/36/92/66/399369266.db2.gz OXNVZAGHVADLFU-KBPBESRZSA-N 2 0 305.470 2.528 20 0 DFADRP CC[NH+](CC)Cc1ccccc1CNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC000106427588 194211211 /nfs/dbraw/zinc/21/12/11/194211211.db2.gz LRDQWSQHVNHOOS-GOSISDBHSA-N 2 0 319.493 2.731 20 0 DFADRP C[C@@H]([NH2+][C@H]1CC[N@H+](C)C(C)(C)C1)c1ccc(NC(N)=O)cc1 ZINC000623418099 399385311 /nfs/dbraw/zinc/38/53/11/399385311.db2.gz BVVSOSFFDHYFPZ-DOMZBBRYSA-N 2 0 304.438 2.701 20 0 DFADRP COCC[N@H+](C)CCC[NH2+][C@@H](C)c1ccc(OC(F)F)cc1 ZINC000268837200 207003314 /nfs/dbraw/zinc/00/33/14/207003314.db2.gz SMZJEOJRYBWVKK-ZDUSSCGKSA-N 2 0 316.392 2.907 20 0 DFADRP COCC[N@H+](C)CCC[NH2+][C@H](C)c1ccc(OC(F)F)cc1 ZINC000268837198 207001867 /nfs/dbraw/zinc/00/18/67/207001867.db2.gz SMZJEOJRYBWVKK-CYBMUJFWSA-N 2 0 316.392 2.907 20 0 DFADRP CC[NH2+]Cc1cccc(NC(=O)c2ccccc2CC[NH2+]C)c1 ZINC000422546104 296311801 /nfs/dbraw/zinc/31/18/01/296311801.db2.gz YMFZGPGVKDVRPL-UHFFFAOYSA-N 2 0 311.429 2.810 20 0 DFADRP CCOCCOCc1cccc(C[NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)c1 ZINC000268846064 207012643 /nfs/dbraw/zinc/01/26/43/207012643.db2.gz VMDNQFGAJQVEQA-VQIMIIECSA-N 2 0 320.477 2.812 20 0 DFADRP CCOc1ccc(C[N@@H+]2C[C@H](C[NH3+])[C@H](C)C[C@H]2C)cc1OC ZINC000422562405 296312710 /nfs/dbraw/zinc/31/27/10/296312710.db2.gz PXOOHNOSECGFGV-FMKPAKJESA-N 2 0 306.450 2.899 20 0 DFADRP Cc1nn(-c2ccccc2)cc1C[N@@H+]1C[C@H](C[NH3+])[C@@H](C)C[C@H]1C ZINC000422565714 296313322 /nfs/dbraw/zinc/31/33/22/296313322.db2.gz ZUAUNAFIRRWTAU-UXLLHSPISA-N 2 0 312.461 2.986 20 0 DFADRP CN(C)CC[NH+]1CCC(C[NH2+][C@H]2CCc3c2cccc3F)CC1 ZINC000268853859 207022756 /nfs/dbraw/zinc/02/27/56/207022756.db2.gz HXPKMBURWSRNLH-IBGZPJMESA-N 2 0 319.468 2.676 20 0 DFADRP C[C@H]([NH2+][C@H]1CCCC[C@H]1O)c1ccc(OCC[NH+](C)C)cc1 ZINC000268863644 207034075 /nfs/dbraw/zinc/03/40/75/207034075.db2.gz GQGNPCKNDMUMLB-JCGIZDLHSA-N 2 0 306.450 2.581 20 0 DFADRP CC(=O)N1CC[C@@H]([NH2+][C@@H]2CC[N@@H+](C)C(C)(C)C2)c2ccccc21 ZINC000623474924 399397485 /nfs/dbraw/zinc/39/74/85/399397485.db2.gz VNXKPGXFQYQQBG-NVXWUHKLSA-N 2 0 315.461 2.947 20 0 DFADRP C[C@@H]1C[C@H](C)[N@H+](CCCOCCc2ccccc2)C[C@@H]1C[NH3+] ZINC000422625259 296316505 /nfs/dbraw/zinc/31/65/05/296316505.db2.gz BBZZKSNSMNVIBY-AOIWGVFYSA-N 2 0 304.478 2.941 20 0 DFADRP CC[NH+](CC)CCOc1ccc(C[NH2+][C@@H](C)COC)cc1OC ZINC000268901895 207072047 /nfs/dbraw/zinc/07/20/47/207072047.db2.gz WVTVJHIKZSYHRT-HNNXBMFYSA-N 2 0 324.465 2.540 20 0 DFADRP C[C@H]([NH3+])[C@H](Cc1ccccc1)NCC[N@H+](C)C1CCCCC1 ZINC000422700390 296318438 /nfs/dbraw/zinc/31/84/38/296318438.db2.gz GVROYHZSDNMBTL-LPHOPBHVSA-N 2 0 303.494 2.799 20 0 DFADRP COc1ccc(CCC[NH2+][C@@H]2CCCC[C@@H]2C[NH3+])cc1OC ZINC000422699167 296318302 /nfs/dbraw/zinc/31/83/02/296318302.db2.gz AHEXUUPDTBLVPX-HZPDHXFCSA-N 2 0 306.450 2.744 20 0 DFADRP C[N@@H+]1CC[C@@H](NC[C@H]2CC[NH+](Cc3ccccc3)C2)CC1(C)C ZINC000623511075 399404846 /nfs/dbraw/zinc/40/48/46/399404846.db2.gz YZUYLXQFQJOIPC-RTBURBONSA-N 3 0 315.505 2.971 20 0 DFADRP c1ccc(NCCCC[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)nc1 ZINC000422705593 296318834 /nfs/dbraw/zinc/31/88/34/296318834.db2.gz SDHNVYGPZITYDY-GVDBMIGSSA-N 2 0 302.466 2.784 20 0 DFADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]Cc1cc(Cl)c2c(c1)OCCO2 ZINC000422704192 296318857 /nfs/dbraw/zinc/31/88/57/296318857.db2.gz OTXLMYRNFNNFNC-BXUZGUMPSA-N 2 0 310.825 2.589 20 0 DFADRP C[C@H](CCC[NH3+])[NH2+]Cc1cccc(COC2CCOCC2)c1 ZINC000422703938 296319004 /nfs/dbraw/zinc/31/90/04/296319004.db2.gz JJSARRMXMDWZER-OAHLLOKOSA-N 2 0 306.450 2.599 20 0 DFADRP CCCC[N@H+](C)CCN[C@H](c1ccc(OC)cc1)[C@H]1CCC[NH2+]1 ZINC000422706642 296319532 /nfs/dbraw/zinc/31/95/32/296319532.db2.gz FQLMHVWFMVQQEK-RTBURBONSA-N 2 0 319.493 2.810 20 0 DFADRP C[C@H](CN[C@H](Cc1ccccc1)[C@H](C)[NH3+])C[NH+]1CCCCC1 ZINC000422709287 296319630 /nfs/dbraw/zinc/31/96/30/296319630.db2.gz KGUSVDZLOVGVIO-ZIFCJYIRSA-N 2 0 303.494 2.657 20 0 DFADRP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]CCCCNc1ccccn1 ZINC000422706357 296319228 /nfs/dbraw/zinc/31/92/28/296319228.db2.gz UFJCMYOGOAICHP-FUHWJXTLSA-N 2 0 312.461 2.822 20 0 DFADRP C[C@H]([NH2+]CCCC[N@@H+]1CCC[C@@H]1CO)c1ccc2c(c1)COC2 ZINC000268934978 207099065 /nfs/dbraw/zinc/09/90/65/207099065.db2.gz RLLNALSZONDICC-HNAYVOBHSA-N 2 0 318.461 2.604 20 0 DFADRP [NH3+]C[C@@H]1CCC[C@H]1[NH2+]CCc1cc(Br)ccc1F ZINC000422706946 296319345 /nfs/dbraw/zinc/31/93/45/296319345.db2.gz VHWIGAOGXURHNZ-SMDDNHRTSA-N 2 0 315.230 2.848 20 0 DFADRP Cc1nc(C[NH3+])ccc1[C@H](C)NCC[N@H+](C)C1CCCCC1 ZINC000422706446 296319443 /nfs/dbraw/zinc/31/94/43/296319443.db2.gz UJIPQLHEUALPBA-AWEZNQCLSA-N 2 0 304.482 2.764 20 0 DFADRP Brc1ccc(CC[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)s1 ZINC000422713289 296320252 /nfs/dbraw/zinc/32/02/52/296320252.db2.gz JJRZOUHBEJIGLH-ZACCUICWSA-N 2 0 315.280 2.926 20 0 DFADRP C[C@H]([NH2+]Cc1ccc(OCc2ccccn2)cc1)[C@@H]1CC[NH2+]C1 ZINC000422711318 296320281 /nfs/dbraw/zinc/32/02/81/296320281.db2.gz FTSZPJKFNTYOBR-DOTOQJQBSA-N 2 0 311.429 2.748 20 0 DFADRP CC(C)(C[NH2+][C@@H]1CCOC[C@@H]1[C@@H]1CCC[NH2+]1)c1ccc(F)cc1 ZINC000422713556 296320352 /nfs/dbraw/zinc/32/03/52/296320352.db2.gz PXCJFDQKCHEKIG-FGTMMUONSA-N 2 0 320.452 2.850 20 0 DFADRP OC[C@H]1CCC[N@@H+]1CCCC[NH2+][C@@H]1CCc2c1cccc2F ZINC000268945620 207108710 /nfs/dbraw/zinc/10/87/10/207108710.db2.gz UFJCFLJSJMUZNQ-RDTXWAMCSA-N 2 0 306.425 2.640 20 0 DFADRP COC[C@H](CCC[NH3+])[NH2+]CCc1cc(Cl)cc(Cl)c1 ZINC000422718194 296320969 /nfs/dbraw/zinc/32/09/69/296320969.db2.gz PHRAKVPGUWKUCO-AWEZNQCLSA-N 2 0 305.249 2.879 20 0 DFADRP C[C@H](NC[C@@H]1CC[N@H+](CCc2ccccc2)C1)[C@H]1CCCC[NH2+]1 ZINC000422718536 296321055 /nfs/dbraw/zinc/32/10/55/296321055.db2.gz PWAXDVLAWVLGKX-YSIASYRMSA-N 2 0 315.505 2.671 20 0 DFADRP [NH3+]C1CCC([NH2+]Cc2cccc(NC(=O)c3ccccn3)c2)CC1 ZINC000422717124 296321093 /nfs/dbraw/zinc/32/10/93/296321093.db2.gz VMESLHGCVPYRAJ-UHFFFAOYSA-N 2 0 324.428 2.693 20 0 DFADRP C[N@@H+]1CC[C@H]([NH2+][C@H]2CCN(c3ccccc3F)C2)CC1(C)C ZINC000623531163 399409896 /nfs/dbraw/zinc/40/98/96/399409896.db2.gz KXGFPCXENGNOIL-GJZGRUSLSA-N 2 0 305.441 2.867 20 0 DFADRP C[NH+](C)CCCC(C)(C)[NH2+]Cc1cn(-c2ccc(F)cc2)nn1 ZINC000623539880 399411784 /nfs/dbraw/zinc/41/17/84/399411784.db2.gz AHYINHUSOYMVBT-UHFFFAOYSA-N 2 0 319.428 2.616 20 0 DFADRP CCC(CC)C(=O)N1CCC([NH2+][C@H](CC)[C@@H]2CCCC[NH2+]2)CC1 ZINC000422723524 296321657 /nfs/dbraw/zinc/32/16/57/296321657.db2.gz RRYSJUPAIKZZGB-MSOLQXFVSA-N 2 0 323.525 2.924 20 0 DFADRP CCOc1c(Cl)cc(C[NH2+][C@@H](C)C[C@H](C)[NH3+])cc1OC ZINC000422724121 296321868 /nfs/dbraw/zinc/32/18/68/296321868.db2.gz UORYHFZCZDOYKY-QWRGUYRKSA-N 2 0 300.830 2.963 20 0 DFADRP C[NH+](C)C[C@H](Cc1ccccc1)N[C@@H]1C[C@H]([NH3+])c2ccccc21 ZINC000422719952 296321447 /nfs/dbraw/zinc/32/14/47/296321447.db2.gz RSBONDJPZRHGDJ-FFZOFVMBSA-N 2 0 309.457 2.894 20 0 DFADRP C[C@@H](CN(C)CCC[NH+](C)C)[NH2+]Cc1ccc2cc[nH]c2c1 ZINC000623562849 399417198 /nfs/dbraw/zinc/41/71/98/399417198.db2.gz FTEJSZJTAXVCBQ-HNNXBMFYSA-N 2 0 302.466 2.530 20 0 DFADRP C(C1CC1)[NH+]1CCC(N[C@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)CC1 ZINC000422724958 296322008 /nfs/dbraw/zinc/32/20/08/296322008.db2.gz XGNKLAZNZUPRSL-QRVBRYPASA-N 2 0 305.510 2.761 20 0 DFADRP C[C@@H]([NH2+]C1CCN(Cc2ccc(F)c(F)c2)CC1)[C@H]1CCC[NH2+]1 ZINC000422725297 296322103 /nfs/dbraw/zinc/32/21/03/296322103.db2.gz XULNZFAWVTXPPC-FZKQIMNGSA-N 2 0 323.431 2.659 20 0 DFADRP [NH3+][C@H]1CCCCC[C@@H]1NC1CC[NH+](Cc2ccccc2)CC1 ZINC000422726149 296322192 /nfs/dbraw/zinc/32/21/92/296322192.db2.gz DGHHXZPXSVTBHB-OALUTQOASA-N 2 0 301.478 2.901 20 0 DFADRP COc1ccc(CCC[NH2+][C@@H](C)[C@@H]2CCCC[NH2+]2)cc1OC ZINC000422724394 296322235 /nfs/dbraw/zinc/32/22/35/296322235.db2.gz VNOUEBLWAVHPHS-HOCLYGCPSA-N 2 0 306.450 2.757 20 0 DFADRP CC[C@@H]1CCCC[N@@H+]1CCN[C@@H](C)c1ccc(C[NH3+])nc1C ZINC000422731870 296322996 /nfs/dbraw/zinc/32/29/96/296322996.db2.gz OEMOXWVJZMBKIY-WMLDXEAASA-N 2 0 304.482 2.764 20 0 DFADRP C[C@H](CC[NH+](C)C)[NH2+][C@H](C)c1cccc(N2CCOCC2)c1 ZINC000268995762 207151253 /nfs/dbraw/zinc/15/12/53/207151253.db2.gz KNCHSFQGNYBWIP-HZPDHXFCSA-N 2 0 305.466 2.514 20 0 DFADRP C[C@H]([NH3+])[C@H]1COCC[C@H]1[NH2+]Cc1ccc(Cl)cc1Cl ZINC000422730819 296323260 /nfs/dbraw/zinc/32/32/60/296323260.db2.gz KLNCBNWGPUKXAG-MRCXROJRSA-N 2 0 303.233 2.835 20 0 DFADRP C[C@H]([NH2+]CCCC[NH+](C)C)c1ccc(OCC[NH+](C)C)cc1 ZINC000269012535 207165997 /nfs/dbraw/zinc/16/59/97/207165997.db2.gz NVGDWPDNIHRDBC-INIZCTEOSA-N 3 0 307.482 2.619 20 0 DFADRP CC(C)n1ncc2cc(C[NH2+]C[C@H]3CCCC[N@H+](C)C3)cnc21 ZINC000623656276 399436748 /nfs/dbraw/zinc/43/67/48/399436748.db2.gz QYENPSWPPHPFJJ-OAHLLOKOSA-N 2 0 315.465 2.834 20 0 DFADRP CC[C@H](CCO)C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000269030104 207179386 /nfs/dbraw/zinc/17/93/86/207179386.db2.gz DLKZJJCTIDWZAV-ZHALLVOQSA-N 2 0 304.478 2.895 20 0 DFADRP CC[C@H](CCO)C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000269030081 207179811 /nfs/dbraw/zinc/17/98/11/207179811.db2.gz DLKZJJCTIDWZAV-SCTDSRPQSA-N 2 0 304.478 2.895 20 0 DFADRP C[C@@H]1C[C@H](NC[C@@H]2CCCC[NH+](C)C2)C[N@@H+]1Cc1ccccc1 ZINC000623656055 399437204 /nfs/dbraw/zinc/43/72/04/399437204.db2.gz MABHPTUPLOMNQI-HOJAQTOUSA-N 2 0 315.505 2.971 20 0 DFADRP C[N@@H+]1CCCC[C@H](C[NH2+]Cc2cc(-n3ccnc3)cs2)C1 ZINC000623657767 399437867 /nfs/dbraw/zinc/43/78/67/399437867.db2.gz YQRDHIVQNBUADT-CQSZACIVSA-N 2 0 304.463 2.755 20 0 DFADRP CC[C@H](CCO)C[NH2+][C@H](C)c1ccc(OCC[NH+](C)C)cc1 ZINC000269054471 207202174 /nfs/dbraw/zinc/20/21/74/207202174.db2.gz ITSVDSYZEGWIRU-HZPDHXFCSA-N 2 0 308.466 2.686 20 0 DFADRP C[C@H](CC[NH+](C)C)[NH2+][C@H](C)c1ccc(N2CCCC2=O)cc1 ZINC000269054856 207205887 /nfs/dbraw/zinc/20/58/87/207205887.db2.gz WNZHQKVBVLUPJQ-HUUCEWRRSA-N 2 0 303.450 2.804 20 0 DFADRP COC(=O)C(C)(C)[C@H]1CCC[N@H+](CC[C@@H]2CCCC[NH+]2C)C1 ZINC000611322977 399462328 /nfs/dbraw/zinc/46/23/28/399462328.db2.gz ILVCBTGNVQPSPZ-HOTGVXAUSA-N 2 0 310.482 2.772 20 0 DFADRP C[C@H]1C[C@H](NCc2ccc[nH]c2=O)CC[N@@H+]1Cc1ccccc1 ZINC000623777327 399464186 /nfs/dbraw/zinc/46/41/86/399464186.db2.gz AJAYLWJATLJDRQ-MAUKXSAKSA-N 2 0 311.429 2.930 20 0 DFADRP COC(=O)c1[nH]c(C[NH2+]CCCC[NH+]2CCC(C)CC2)cc1C ZINC000602513142 399464921 /nfs/dbraw/zinc/46/49/21/399464921.db2.gz DGFAVGZKNDYMOS-UHFFFAOYSA-N 2 0 321.465 2.711 20 0 DFADRP C[NH2+]CCC1CC[NH+](Cc2cccc(OCCCOC)c2)CC1 ZINC000346692814 284928035 /nfs/dbraw/zinc/92/80/35/284928035.db2.gz JDYSGBYBEBDJJK-UHFFFAOYSA-N 2 0 320.477 2.923 20 0 DFADRP COc1cc(C[NH2+]CC2CC[NH+](C)CC2)ccc1OC(C)C ZINC000065996766 184384380 /nfs/dbraw/zinc/38/43/80/184384380.db2.gz GFBLICWDNVZLTI-UHFFFAOYSA-N 2 0 306.450 2.914 20 0 DFADRP CC[C@H](NC[C@H](c1cccc(F)c1)[NH+](C)C)[C@H]1CCCC[NH2+]1 ZINC000422736725 296323779 /nfs/dbraw/zinc/32/37/79/296323779.db2.gz WIOFNLWJAGNVIJ-RCCFBDPRSA-N 2 0 307.457 2.939 20 0 DFADRP c1ccc2c(c1)O[C@]1(CC[NH2+]C1)C[C@H]2[NH2+]CCC1CCOCC1 ZINC000422739103 296324104 /nfs/dbraw/zinc/32/41/04/296324104.db2.gz ZWDDUSGDTJXOKR-IEBWSBKVSA-N 2 0 316.445 2.649 20 0 DFADRP CC[C@H](NCc1ccc(F)c(C[NH+](C)C)c1)[C@@H]1CCCC[NH2+]1 ZINC000422742452 296324960 /nfs/dbraw/zinc/32/49/60/296324960.db2.gz GPNPCLMZNHAOEE-ROUUACIJSA-N 2 0 307.457 2.898 20 0 DFADRP CC(C)COc1ccccc1C[NH2+][C@@H]1CCOC[C@@H]1[C@H](C)[NH3+] ZINC000422744154 296325045 /nfs/dbraw/zinc/32/50/45/296325045.db2.gz VOSZEAKXKUCFCD-USXIJHARSA-N 2 0 306.450 2.563 20 0 DFADRP COC[C@@H](CCC[NH3+])[NH2+]CC1(c2ccccc2OC)CCCC1 ZINC000422746250 296325122 /nfs/dbraw/zinc/32/51/22/296325122.db2.gz ZEZWVOVYHGDEJW-MRXNPFEDSA-N 2 0 320.477 2.851 20 0 DFADRP COc1ccccc1[C@H](CN[C@H]1CCC[C@H]1C[NH3+])[NH+]1CCCC1 ZINC000422748588 296325568 /nfs/dbraw/zinc/32/55/68/296325568.db2.gz VEZJIGUZQNOSTF-SZMVWBNQSA-N 2 0 317.477 2.549 20 0 DFADRP C[C@@H](c1ccccc1)[NH+]1CCC(N[C@@H]2CCC[NH2+]CC2)CC1 ZINC000422747199 296325586 /nfs/dbraw/zinc/32/55/86/296325586.db2.gz PLYHFWKKZWPQFY-FUHWJXTLSA-N 2 0 301.478 2.944 20 0 DFADRP COc1ccccc1[C@H](CN[C@@H](C)[C@H]1CCC[NH2+]1)[NH+]1CCCC1 ZINC000422746884 296325684 /nfs/dbraw/zinc/32/56/84/296325684.db2.gz ORKOEGGKXXWPKP-JQHSSLGASA-N 2 0 317.477 2.562 20 0 DFADRP CCC[NH+](CCC)CCCNC(=O)[C@H](C)[C@H]([NH3+])c1ccccc1 ZINC000269234190 207360467 /nfs/dbraw/zinc/36/04/67/207360467.db2.gz FKWKGESJOJXXEX-AEFFLSMTSA-N 2 0 319.493 2.951 20 0 DFADRP COc1ccccc1[C@@H](CN[C@@H](C)[C@@H]1CCC[NH2+]1)[NH+]1CCCC1 ZINC000422746888 296325738 /nfs/dbraw/zinc/32/57/38/296325738.db2.gz ORKOEGGKXXWPKP-RYQLBKOJSA-N 2 0 317.477 2.562 20 0 DFADRP C[C@@]1(C(=O)Nc2ccc(CC[NH+]3CCCCC3)cc2)CC[NH2+]C1 ZINC000269230339 207353600 /nfs/dbraw/zinc/35/36/00/207353600.db2.gz CLWCLLWHCFXZGE-LJQANCHMSA-N 2 0 315.461 2.653 20 0 DFADRP COc1ccc([C@H](C[NH2+]C2CCC([NH3+])CC2)N2CCCC2)cc1 ZINC000422752857 296326822 /nfs/dbraw/zinc/32/68/22/296326822.db2.gz HPRXEEGOYMJKOE-TVPLGVNVSA-N 2 0 317.477 2.692 20 0 DFADRP COc1ccccc1[C@H](C[NH2+][C@@H](C)C[C@H](C)[NH3+])N1CCCC1 ZINC000422749007 296326087 /nfs/dbraw/zinc/32/60/87/296326087.db2.gz WZUOCZKPQBWKPK-ZOBUZTSGSA-N 2 0 305.466 2.548 20 0 DFADRP Cc1nc2ccccc2n1CCC[NH2+][C@@H]1CCCC[C@H]1C[NH3+] ZINC000422750012 296326222 /nfs/dbraw/zinc/32/62/22/296326222.db2.gz BVWDHTIVKDCZKS-JKSUJKDBSA-N 2 0 300.450 2.842 20 0 DFADRP CCOc1ccc(CC[NH2+][C@@H]2CCC[C@@H]2C[NH3+])cc1OCC ZINC000422751866 296326421 /nfs/dbraw/zinc/32/64/21/296326421.db2.gz DDKUBMIDYOIRDI-HZPDHXFCSA-N 2 0 306.450 2.744 20 0 DFADRP CCCC[N@H+](CC)Cc1cccc(CNC(=O)CCC[NH2+]C)c1 ZINC000269239214 207368158 /nfs/dbraw/zinc/36/81/58/207368158.db2.gz AOAWZOUHXDZHGA-UHFFFAOYSA-N 2 0 319.493 2.924 20 0 DFADRP CCOC(=O)C1([C@H](C)[NH2+]C[C@@H]2CCC[C@@H](C)C2)CC[NH2+]CC1 ZINC000422750925 296326527 /nfs/dbraw/zinc/32/65/27/296326527.db2.gz AQHXCNSEQVFCIW-OWCLPIDISA-N 2 0 310.482 2.724 20 0 DFADRP Cc1cc(F)ccc1N1CCC[C@H]([NH2+][C@@H]2CCC[C@H]2C[NH3+])C1 ZINC000422755250 296327274 /nfs/dbraw/zinc/32/72/74/296327274.db2.gz GMTAPDUGUVQCBE-BHYGNILZSA-N 2 0 305.441 2.820 20 0 DFADRP COc1cccc([C@H](CN[C@@H](C)[C@@H]2CCC[NH2+]2)[NH+]2CCCC2)c1 ZINC000422753635 296326904 /nfs/dbraw/zinc/32/69/04/296326904.db2.gz GDUXWWKZKCRPJR-SNRMKQJTSA-N 2 0 317.477 2.562 20 0 DFADRP C[C@@H]([NH2+]CC1(c2cccc(Cl)c2)CCOCC1)C1C[NH2+]C1 ZINC000422760361 296328011 /nfs/dbraw/zinc/32/80/11/296328011.db2.gz LXCATAJQRFAXOD-CYBMUJFWSA-N 2 0 308.853 2.586 20 0 DFADRP C[C@H]([NH3+])[C@@H]1COCC[C@H]1[NH2+]CCCSc1ccc(F)cc1 ZINC000422759739 296328161 /nfs/dbraw/zinc/32/81/61/296328161.db2.gz LGJWPLYDWFEUQJ-VBNZEHGJSA-N 2 0 312.454 2.650 20 0 DFADRP COc1ccc([C@H](CN[C@H]2CCC[NH2+]CC2)[NH+]2CCCC2)cc1 ZINC000422760592 296328448 /nfs/dbraw/zinc/32/84/48/296328448.db2.gz QILPCFNZKBMEMK-HKUYNNGSSA-N 2 0 317.477 2.564 20 0 DFADRP COc1cccc([C@@H](C[NH2+][C@H](C)CCC[NH3+])N2CCCC2)c1 ZINC000422763079 296328781 /nfs/dbraw/zinc/32/87/81/296328781.db2.gz OMFAXGABYPXDSB-CRAIPNDOSA-N 2 0 305.466 2.549 20 0 DFADRP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+]C[C@H](CO)Cc1ccc(F)cc1 ZINC000422762346 296328825 /nfs/dbraw/zinc/32/88/25/296328825.db2.gz NNVSQDFJQAXDRA-SZVBFZGTSA-N 2 0 322.468 2.877 20 0 DFADRP C[C@H]([NH2+]C1(CN[C@@H](C)C2C[NH2+]C2)CCCC1)c1ccccc1 ZINC000422762821 296328833 /nfs/dbraw/zinc/32/88/33/296328833.db2.gz MVHQRJROULZZNW-HOTGVXAUSA-N 2 0 301.478 2.848 20 0 DFADRP [NH3+]C[C@H]1CCC[C@H]1[NH2+]CC1(c2ccc(F)cc2)CCOCC1 ZINC000422771103 296330395 /nfs/dbraw/zinc/33/03/95/296330395.db2.gz XQHNWCWJMNJELE-RHSMWYFYSA-N 2 0 306.425 2.591 20 0 DFADRP COc1cccc(N2CCC[C@H]([NH2+][C@H]3CC[NH2+]CC[C@@H]3C)C2)c1 ZINC000422770059 296330404 /nfs/dbraw/zinc/33/04/04/296330404.db2.gz WHVAJLFCZIWDRY-BXWFABGCSA-N 2 0 317.477 2.642 20 0 DFADRP CCOc1cc(CCC[NH2+][C@@H]2CCC[C@@H]2C[NH3+])ccc1OC ZINC000422768935 296329999 /nfs/dbraw/zinc/32/99/99/296329999.db2.gz ZSNATKYWMAOLOW-HZPDHXFCSA-N 2 0 306.450 2.744 20 0 DFADRP CCOc1cc(CCC[NH2+][C@H]2CCC[C@@H]2C[NH3+])ccc1OC ZINC000422768933 296330071 /nfs/dbraw/zinc/33/00/71/296330071.db2.gz ZSNATKYWMAOLOW-CVEARBPZSA-N 2 0 306.450 2.744 20 0 DFADRP COc1ccc([C@H](C[NH2+][C@H](C)C[C@H](C)[NH3+])N2CCCCC2)cc1 ZINC000422769176 296330095 /nfs/dbraw/zinc/33/00/95/296330095.db2.gz UTEZNCGNAQIHTL-FCEWJHQRSA-N 2 0 319.493 2.938 20 0 DFADRP CC[C@@H](CCc1ccccc1)[NH2+]CCCN1CCC(O)CC1 ZINC000623871803 399484054 /nfs/dbraw/zinc/48/40/54/399484054.db2.gz NAVYKLVAXSLNPB-SFHVURJKSA-N 2 0 304.478 2.834 20 0 DFADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]Cc1ccccc1-n1cccn1 ZINC000422775695 296330996 /nfs/dbraw/zinc/33/09/96/296330996.db2.gz BHDVGLALDBLXBR-CQSZACIVSA-N 2 0 321.428 2.885 20 0 DFADRP COc1ccc([C@H](C)CC[NH2+][C@@H]2CCOC[C@@H]2[C@@H](C)[NH3+])cc1 ZINC000422776074 296331019 /nfs/dbraw/zinc/33/10/19/296331019.db2.gz CCANNDZMOVBZGV-DTTOXWODSA-N 2 0 306.450 2.531 20 0 DFADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+][C@@H]1[C@H]2CCCO[C@@H]2C1(C)C ZINC000422780853 296331836 /nfs/dbraw/zinc/33/18/36/296331836.db2.gz KUOBNWSEHQNLQD-DXEWXGHRSA-N 2 0 303.450 2.703 20 0 DFADRP C[C@H](C[C@H](C)[NH3+])[NH2+][C@H]1CCCN(c2ccccc2Cl)C1=O ZINC000422780253 296331909 /nfs/dbraw/zinc/33/19/09/296331909.db2.gz KAHXNQRFZGYHDS-SCRDCRAPSA-N 2 0 309.841 2.551 20 0 DFADRP C[C@H]([NH3+])C[C@H](C)[NH2+][C@H]1CCCN(c2ccccc2Cl)C1=O ZINC000422780247 296331912 /nfs/dbraw/zinc/33/19/12/296331912.db2.gz KAHXNQRFZGYHDS-OBJOEFQTSA-N 2 0 309.841 2.551 20 0 DFADRP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]Cc1ccccc1C[NH+]1CCCCC1 ZINC000422782574 296331944 /nfs/dbraw/zinc/33/19/44/296331944.db2.gz GROTUZGQZVRMKX-LPHOPBHVSA-N 3 0 301.478 2.890 20 0 DFADRP [NH3+]C1CCC([NH2+][C@@H]2CCCN(c3ccccc3Cl)C2=O)CC1 ZINC000422779412 296331343 /nfs/dbraw/zinc/33/13/43/296331343.db2.gz IPWPAKUFDXCIKP-SSDMNJCBSA-N 2 0 321.852 2.695 20 0 DFADRP CC[N@@H+]1CCC[C@@H](Nc2nccc(N3Cc4ccccc4C3)n2)C1 ZINC000623884264 399486944 /nfs/dbraw/zinc/48/69/44/399486944.db2.gz WIDOZDDPGBJTGE-QGZVFWFLSA-N 2 0 323.444 2.893 20 0 DFADRP C[C@@H](CCCC[NH3+])[NH2+][C@H]1CCCN(c2ccccc2Cl)C1=O ZINC000422777613 296331724 /nfs/dbraw/zinc/33/17/24/296331724.db2.gz FVIHQVVUGQKUNF-ZFWWWQNUSA-N 2 0 323.868 2.943 20 0 DFADRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H](C)[C@H]2CCCCO2)[C@H](C)C1 ZINC000623894937 399489153 /nfs/dbraw/zinc/48/91/53/399489153.db2.gz FXLVQHJMAWHBPO-ZJPYXAASSA-N 2 0 312.498 2.671 20 0 DFADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]CCCn1cnc2ccccc21 ZINC000422781430 296332090 /nfs/dbraw/zinc/33/20/90/296332090.db2.gz KNVXCORZDNVMNV-CQSZACIVSA-N 2 0 323.444 2.939 20 0 DFADRP C[NH+](C)C1(CN[C@H]2C[C@@H]([NH3+])c3ccccc32)Cc2ccccc2C1 ZINC000422785240 296332290 /nfs/dbraw/zinc/33/22/90/296332290.db2.gz PFPGNRXJXFFYKB-UXHICEINSA-N 2 0 321.468 2.820 20 0 DFADRP [NH3+]C[C@H]1CCC[C@H]1[NH2+]Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000422785835 296332684 /nfs/dbraw/zinc/33/26/84/296332684.db2.gz KDFYUDZLNLMCIR-RTBURBONSA-N 3 0 301.478 2.890 20 0 DFADRP C[C@@H]([NH2+]CCc1csc(-c2ccccc2)n1)[C@H]1CC[NH2+]C1 ZINC000422785690 296332776 /nfs/dbraw/zinc/33/27/76/296332776.db2.gz NVKCNPOMGOFELM-HIFRSBDPSA-N 2 0 301.459 2.940 20 0 DFADRP COc1ccc(C[NH+]2CCC(C[NH2+][C@H](C)CCC[NH3+])CC2)cc1 ZINC000422786182 296332813 /nfs/dbraw/zinc/33/28/13/296332813.db2.gz SIJKPFPRIWRSOI-MRXNPFEDSA-N 3 0 319.493 2.624 20 0 DFADRP C(C[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1)COCC1CCOCC1 ZINC000422791252 296333270 /nfs/dbraw/zinc/33/32/70/296333270.db2.gz VVFBIWYOBIIEQB-GUDVDZBRSA-N 2 0 324.509 2.720 20 0 DFADRP CCOC(=O)[C@](C)(C[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1)c1ccccc1 ZINC000602629745 399496737 /nfs/dbraw/zinc/49/67/37/399496737.db2.gz JFZOUASKDOWEMU-HHXXYDBFSA-N 2 0 318.461 2.580 20 0 DFADRP CCC[C@@H](C(=O)NC[C@@H]([NH3+])c1ccc(C(C)C)cc1)[NH+](C)C ZINC000422792311 296333804 /nfs/dbraw/zinc/33/38/04/296333804.db2.gz DIHREUNQBMQPDK-SJORKVTESA-N 2 0 305.466 2.656 20 0 DFADRP Cc1ccc(O[C@H](C)C[NH2+][C@@H]2CCOC[C@@H]2[C@@H]2CCC[NH2+]2)cc1 ZINC000422795501 296334360 /nfs/dbraw/zinc/33/43/60/296334360.db2.gz VTUXXPDUBPMUSN-OQIJWPOYSA-N 2 0 318.461 2.509 20 0 DFADRP C[C@@H](NCc1ccc(C[NH+]2CCCC2)cc1)[C@H]1CCCC[NH2+]1 ZINC000422795101 296334091 /nfs/dbraw/zinc/33/40/91/296334091.db2.gz ZSZWGUDAJGRHIW-VQIMIIECSA-N 2 0 301.478 2.903 20 0 DFADRP C[NH+](C)CCOc1cccc(N[C@H]2CC[N@H+](C)C(C)(C)C2)c1 ZINC000623949518 399501696 /nfs/dbraw/zinc/50/16/96/399501696.db2.gz UROGEDSHXPRCLI-INIZCTEOSA-N 2 0 305.466 2.912 20 0 DFADRP CC(C)[C@@H]([NH3+])C(=O)NCc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000269251629 207387230 /nfs/dbraw/zinc/38/72/30/207387230.db2.gz ZFFZQPYGPMZDFI-CRAIPNDOSA-N 2 0 317.477 2.518 20 0 DFADRP CC(C)c1ccc([C@H]([NH3+])CNC(=O)[C@@H](C(C)C)[C@@H](C)[NH3+])cc1 ZINC000422797535 296334953 /nfs/dbraw/zinc/33/49/53/296334953.db2.gz NDQHYZKXPWTIMG-XYPHTWIQSA-N 2 0 305.466 2.545 20 0 DFADRP c1cc2c(cc1C1(C[NH2+]C3CC[NH2+]CC3)CCCC1)OCCO2 ZINC000422797606 296334961 /nfs/dbraw/zinc/33/49/61/296334961.db2.gz NNXRMNHFHYRBNK-UHFFFAOYSA-N 2 0 316.445 2.611 20 0 DFADRP [NH3+][C@H]1CCC[C@H]1[NH2+]CC1(c2ccc3c(c2)OCCO3)CCCC1 ZINC000422800033 296335150 /nfs/dbraw/zinc/33/51/50/296335150.db2.gz ZDZREKCNCJTOCU-JKSUJKDBSA-N 2 0 316.445 2.739 20 0 DFADRP C[C@H]1CC[NH2+]CC[C@H]1[NH2+]CCc1nc(C(F)(F)F)cs1 ZINC000422801670 296335407 /nfs/dbraw/zinc/33/54/07/296335407.db2.gz CJIDZCOZWORQDC-VHSXEESVSA-N 2 0 307.385 2.682 20 0 DFADRP [NH3+][C@@H]1C[C@@H](NCC[N@@H+]2CCc3ccccc3C2)c2ccccc21 ZINC000422805651 296336299 /nfs/dbraw/zinc/33/62/99/296336299.db2.gz MKZJXQIKNKCMBL-WOJBJXKFSA-N 2 0 307.441 2.779 20 0 DFADRP COC[C@@H](CCC[NH3+])[NH2+]Cc1cc(Cl)ccc1OC(F)F ZINC000422809015 296336890 /nfs/dbraw/zinc/33/68/90/296336890.db2.gz LRUCRKNGFIIHEC-GFCCVEGCSA-N 2 0 322.783 2.785 20 0 DFADRP C[C@H](NCCC[N@@H+]1CCc2ccccc2C1)c1c[nH+]ccc1N ZINC000422810039 296337128 /nfs/dbraw/zinc/33/71/28/296337128.db2.gz QWFMRCTXMLUUIT-HNNXBMFYSA-N 2 0 310.445 2.593 20 0 DFADRP C[C@@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]CCCN1CCc2ccccc21 ZINC000422806560 296336653 /nfs/dbraw/zinc/33/66/53/296336653.db2.gz NPXJJGFSMNPJNO-YLJYHZDGSA-N 2 0 323.484 2.987 20 0 DFADRP CN(C)c1cc(C[NH2+]C2CCC(C[NH3+])CC2)c2ccccc2n1 ZINC000422812455 296337583 /nfs/dbraw/zinc/33/75/83/296337583.db2.gz WIZGYRZRHSYCEC-UHFFFAOYSA-N 2 0 312.461 2.908 20 0 DFADRP C[C@@H]([NH2+]CCC1CCN(CC(F)(F)F)CC1)[C@@H]1CCCC[NH2+]1 ZINC000422817737 296338790 /nfs/dbraw/zinc/33/87/90/296338790.db2.gz IDSXOGLIBYEXIP-HIFRSBDPSA-N 2 0 321.431 2.771 20 0 DFADRP CC(C)c1ccc([C@H](C)[N@@H+]2CC[C@H](n3cc(C[NH3+])nn3)C2)cc1 ZINC000631844722 399506282 /nfs/dbraw/zinc/50/62/82/399506282.db2.gz LRNGSDNGVNDCQL-KSSFIOAISA-N 2 0 313.449 2.868 20 0 DFADRP C[N@H+](CCN[C@H]1C[C@H]([NH3+])c2ccccc21)Cc1ccc(F)cc1 ZINC000422818995 296339047 /nfs/dbraw/zinc/33/90/47/296339047.db2.gz LXRXGOOPOXTYHG-OALUTQOASA-N 2 0 313.420 2.992 20 0 DFADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]CCOc1ccc(F)cc1F ZINC000422819717 296339066 /nfs/dbraw/zinc/33/90/66/296339066.db2.gz NQPQCUFAPSNQGH-LLVKDONJSA-N 2 0 321.371 2.857 20 0 DFADRP FC(F)(F)C1CCC([NH2+][C@@H]2CCOC[C@@H]2[C@@H]2CCC[NH2+]2)CC1 ZINC000422821389 296339239 /nfs/dbraw/zinc/33/92/39/296339239.db2.gz VXCHVAFKVBHSPC-IPOFZDNWSA-N 2 0 320.399 2.854 20 0 DFADRP C[C@@H]1C[N@H+](CCC(=O)Nc2cccc3ccccc32)C[C@@H]1C[NH3+] ZINC000631841744 399506993 /nfs/dbraw/zinc/50/69/93/399506993.db2.gz PDSLJOBFWFVELB-ZBFHGGJFSA-N 2 0 311.429 2.695 20 0 DFADRP C[C@H](Nc1cc(N2CCC[C@@H](C)C2)ncn1)C1CC[NH+](C)CC1 ZINC000623969043 399506995 /nfs/dbraw/zinc/50/69/95/399506995.db2.gz UWJCYKCPMQPOAP-CABCVRRESA-N 2 0 317.481 2.855 20 0 DFADRP COC(=O)c1csc(C[N@@H+]2CC[C@@H](C3CC[NH+](C)CC3)C2)c1 ZINC000602661061 399507496 /nfs/dbraw/zinc/50/74/96/399507496.db2.gz CBSRQQCBVIEUFQ-CQSZACIVSA-N 2 0 322.474 2.698 20 0 DFADRP [NH3+]C[C@H]1CCCC[C@@H]1[NH2+]Cc1cccnc1OCC(F)(F)F ZINC000422823682 296339609 /nfs/dbraw/zinc/33/96/09/296339609.db2.gz DWCDHTHWCGLBHZ-YPMHNXCESA-N 2 0 317.355 2.630 20 0 DFADRP C[C@H]1CC[NH2+]CC[C@@H]1[NH2+]CCc1ccccc1Br ZINC000422825351 296339914 /nfs/dbraw/zinc/33/99/14/296339914.db2.gz JOQOUPSCFMTRKS-WFASDCNBSA-N 2 0 311.267 2.969 20 0 DFADRP CC[C@@H]([NH2+]CC(C)(C)c1ccc2c(c1)OCO2)[C@@H]1CCC[NH2+]1 ZINC000422830610 296340966 /nfs/dbraw/zinc/34/09/66/296340966.db2.gz VXJHFIQDPWDIGG-CABCVRRESA-N 2 0 304.434 2.813 20 0 DFADRP CN(C(=O)C[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1)C1CCCCC1 ZINC000422830254 296341167 /nfs/dbraw/zinc/34/11/67/296341167.db2.gz VQBKXJWMNHMWJR-KZNAEPCWSA-N 2 0 321.509 2.678 20 0 DFADRP CC[NH2+]CC1CC[NH+](Cc2cnc(N(CC)CC)s2)CC1 ZINC000347012296 285001909 /nfs/dbraw/zinc/00/19/09/285001909.db2.gz HFPBESRRYVIPCN-UHFFFAOYSA-N 2 0 310.511 2.811 20 0 DFADRP C[C@@H](N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C)[C@@H]1CCC[NH2+]1 ZINC000422828394 296340275 /nfs/dbraw/zinc/34/02/75/296340275.db2.gz APYVSWHYAPMFDO-RWQQGDIJSA-N 2 0 301.478 2.627 20 0 DFADRP COc1ccccc1N1CCC([NH2+][C@@H]2CC[NH2+]CC[C@H]2C)CC1 ZINC000422839648 296342460 /nfs/dbraw/zinc/34/24/60/296342460.db2.gz RCKLAPBYBLSZMC-NVXWUHKLSA-N 2 0 317.477 2.642 20 0 DFADRP CCN(CC)[C@@H](C[NH2+]C1CCC([NH3+])CC1)Cc1ccccc1 ZINC000422833327 296341384 /nfs/dbraw/zinc/34/13/84/296341384.db2.gz MLWNMTWBTJFWMC-CTWPCTMYSA-N 2 0 303.494 2.799 20 0 DFADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]CC1CC[NH+](Cc2cccs2)CC1 ZINC000422835557 296341644 /nfs/dbraw/zinc/34/16/44/296341644.db2.gz YSDYXGCIQRBPDO-QAPCUYQASA-N 3 0 321.534 2.938 20 0 DFADRP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000422836149 296341983 /nfs/dbraw/zinc/34/19/83/296341983.db2.gz JIZALDYEKZKJLM-BJYDCXRDSA-N 2 0 313.489 2.770 20 0 DFADRP CC[NH+](CC)[C@H](CN[C@@H]1CCC[NH2+]CC1)Cc1ccccc1 ZINC000422836737 296342008 /nfs/dbraw/zinc/34/20/08/296342008.db2.gz RWUXJWSUVWFGCF-MOPGFXCFSA-N 2 0 303.494 2.671 20 0 DFADRP Cc1ccc([C@H](CN[C@@H]2C[NH2+]CC[C@H]2C)[NH+]2CCCC2)cc1 ZINC000422835890 296342062 /nfs/dbraw/zinc/34/20/62/296342062.db2.gz ZFBUJFPQEJLEIL-QRQLOZEOSA-N 2 0 301.478 2.720 20 0 DFADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000422836151 296342151 /nfs/dbraw/zinc/34/21/51/296342151.db2.gz JIZALDYEKZKJLM-QRTFOUQQSA-N 2 0 313.489 2.770 20 0 DFADRP C[C@@H]([NH3+])[C@H](Cc1ccccc1)NC1CC[NH+](C2CCCC2)CC1 ZINC000422835828 296342193 /nfs/dbraw/zinc/34/21/93/296342193.db2.gz JEEBCGDPRYNPOL-UZLBHIALSA-N 2 0 315.505 2.942 20 0 DFADRP [NH3+][C@@H]1CCCCC[C@H]1[NH2+]CC1(N2CCSCC2)CCCC1 ZINC000422844087 296343346 /nfs/dbraw/zinc/34/33/46/296343346.db2.gz KTUPTJDIHXDOAR-HZPDHXFCSA-N 2 0 311.539 2.598 20 0 DFADRP C[C@H]([NH3+])C[C@H](C)[NH2+]Cc1ccc(NC(=O)c2ccncc2)cc1 ZINC000422844559 296343506 /nfs/dbraw/zinc/34/35/06/296343506.db2.gz MEZLTBWFJXTNST-KBPBESRZSA-N 2 0 312.417 2.549 20 0 DFADRP [NH3+][C@H]1CCCCC[C@@H]1[NH2+]CC1(c2ccccc2)CCOCC1 ZINC000422841839 296342600 /nfs/dbraw/zinc/34/26/00/296342600.db2.gz DSTHCFYGWXAGEP-ROUUACIJSA-N 2 0 302.462 2.984 20 0 DFADRP [NH3+][C@H]1CCCCC[C@H]1[NH2+]CC1(c2ccccc2)CCOCC1 ZINC000422841840 296342723 /nfs/dbraw/zinc/34/27/23/296342723.db2.gz DSTHCFYGWXAGEP-ZWKOTPCHSA-N 2 0 302.462 2.984 20 0 DFADRP [NH3+]CC1CCC([NH2+]C2CCN(CCc3ccccc3)CC2)CC1 ZINC000422844597 296343780 /nfs/dbraw/zinc/34/37/80/296343780.db2.gz MIDPLSXYTRPXLU-UHFFFAOYSA-N 2 0 315.505 2.801 20 0 DFADRP CC(C)COc1ccc(CC[NH2+][C@@H]2CCOC[C@@H]2[C@@H](C)[NH3+])cc1 ZINC000422854450 296345215 /nfs/dbraw/zinc/34/52/15/296345215.db2.gz ASQLXOHVJICLPU-ATZDWAIDSA-N 2 0 320.477 2.606 20 0 DFADRP CCCC[NH+]1CCC(NC(=O)[C@H](C)[NH+]2CCCCCC2)CC1 ZINC000118780870 194924867 /nfs/dbraw/zinc/92/48/67/194924867.db2.gz OLJGBZCXOWPGJT-INIZCTEOSA-N 2 0 309.498 2.632 20 0 DFADRP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1[NH2+]C[C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000422856631 296345538 /nfs/dbraw/zinc/34/55/38/296345538.db2.gz XFFBOGOTKYBPEV-PEDHHIEDSA-N 2 0 308.388 2.697 20 0 DFADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]Cc1ccnc(OCC(F)(F)F)c1 ZINC000422855825 296345701 /nfs/dbraw/zinc/34/57/01/296345701.db2.gz FHDKKYVGMUVLAO-YPMHNXCESA-N 2 0 317.355 2.500 20 0 DFADRP CSCc1cc(F)ccc1C[NH2+][C@@H]1CCOC[C@@H]1[C@@H](C)[NH3+] ZINC000422860646 296346503 /nfs/dbraw/zinc/34/65/03/296346503.db2.gz INKWCTXJQSNKRZ-HFBAOOFYSA-N 2 0 312.454 2.531 20 0 DFADRP COc1ccc(C(C)(C)C[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1OC ZINC000422863050 296346659 /nfs/dbraw/zinc/34/66/59/296346659.db2.gz QZOOQFOJTCXZEP-XYPWUTKMSA-N 2 0 318.461 2.854 20 0 DFADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+][C@H]1CCN(c2ccccc2)C1 ZINC000422864190 296346713 /nfs/dbraw/zinc/34/67/13/296346713.db2.gz ULXFGYCXUDFYTQ-WBVHZDCISA-N 2 0 310.445 2.778 20 0 DFADRP Cc1ccncc1C[NH+]1CCC(C[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000269602688 207668051 /nfs/dbraw/zinc/66/80/51/207668051.db2.gz WLCSJDZLZVTROQ-IRXDYDNUSA-N 2 0 317.477 2.711 20 0 DFADRP Cc1ccc(C[NH2+]C2CCC([NH3+])CC2)c(OC[C@@H]2CCCO2)c1 ZINC000422872400 296348157 /nfs/dbraw/zinc/34/81/57/296348157.db2.gz GZOHLWRCXDGGIW-ABHNRTSZSA-N 2 0 318.461 2.912 20 0 DFADRP CCOCCOc1cc(C)ccc1C[NH2+][C@H]1CC[NH2+]CC[C@@H]1C ZINC000422867518 296347379 /nfs/dbraw/zinc/34/73/79/296347379.db2.gz SQHQYYJTJTUASY-WMZOPIPTSA-N 2 0 320.477 2.888 20 0 DFADRP [NH3+][C@@H](CC1CCCCC1)C(=O)NCC[NH2+]C1CCCCCC1 ZINC000422878299 296349084 /nfs/dbraw/zinc/34/90/84/296349084.db2.gz SQDPVITZCJRODI-KRWDZBQOSA-N 2 0 309.498 2.713 20 0 DFADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCN[C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)C1 ZINC000422878073 296349144 /nfs/dbraw/zinc/34/91/44/296349144.db2.gz IVQXDMREIPIQIX-ZRSRNVLSSA-N 2 0 307.526 2.865 20 0 DFADRP Cc1nc(C[NH3+])ccc1[C@H](C)N[C@H](C)C[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000422874534 296348451 /nfs/dbraw/zinc/34/84/51/296348451.db2.gz AIBAONOFTUJNFB-FPCVCCKLSA-N 2 0 318.509 2.866 20 0 DFADRP C[C@@H]([NH2+][C@@H](C)C[C@H](C)[NH3+])c1ccc(NC(=O)NC2CC2)cc1 ZINC000422873664 296348537 /nfs/dbraw/zinc/34/85/37/296348537.db2.gz AYVJZERBFSYILO-RWMBFGLXSA-N 2 0 304.438 2.747 20 0 DFADRP C[C@@H]1CCC[N@H+](Cc2ccccc2CN[C@H]2CCC[C@@H]2[NH3+])C1 ZINC000422874840 296348643 /nfs/dbraw/zinc/34/86/43/296348643.db2.gz DINFTDGXKHFZPP-MNEFBYGVSA-N 2 0 301.478 2.888 20 0 DFADRP COc1cc([C@H](C)[NH2+][C@H]2CCC[NH2+]CC2)cc(OC)c1OC ZINC000422876346 296348850 /nfs/dbraw/zinc/34/88/50/296348850.db2.gz GFHSQHFSDJCPGW-JSGCOSHPSA-N 2 0 308.422 2.505 20 0 DFADRP Cc1ccccc1C1(C[NH2+][C@H](C)[C@H]2CC[NH2+]C2)CCOCC1 ZINC000422883348 296350146 /nfs/dbraw/zinc/35/01/46/296350146.db2.gz UULKZCDPWLLFGP-SJORKVTESA-N 2 0 302.462 2.631 20 0 DFADRP Cc1cc(C)n(-c2ccccc2C[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)n1 ZINC000422885578 296350475 /nfs/dbraw/zinc/35/04/75/296350475.db2.gz HAYCWRUMLSLEFH-JWTNVVGKSA-N 2 0 310.445 2.862 20 0 DFADRP CC[C@H](NC[C@@H](c1ccc(C)o1)[NH+]1CCCC1)[C@@H]1CCC[NH2+]1 ZINC000422885625 296350569 /nfs/dbraw/zinc/35/05/69/296350569.db2.gz YZVROJXJYLOCBE-ULQDDVLXSA-N 2 0 305.466 2.845 20 0 DFADRP Fc1ccc(C[NH2+][C@@H]2CCOC[C@H]2[C@H]2CCC[NH2+]2)cc1Cl ZINC000422885438 296350572 /nfs/dbraw/zinc/35/05/72/296350572.db2.gz YQDLDEVVMWSKEM-APHBMKBZSA-N 2 0 312.816 2.726 20 0 DFADRP C[C@H]([NH3+])c1ccc(C(=O)NCC[NH2+]C2CCCCCC2)cc1 ZINC000422879629 296349543 /nfs/dbraw/zinc/34/95/43/296349543.db2.gz VSCQRMROJOBNBB-AWEZNQCLSA-N 2 0 303.450 2.749 20 0 DFADRP C[C@H]([NH2+]CCCC[N@H+]1C[C@H](C)C[C@H](C)C1)c1cnccc1N ZINC000422887715 296351027 /nfs/dbraw/zinc/35/10/27/296351027.db2.gz YZVXWQDCEBHGHZ-XHSDSOJGSA-N 2 0 304.482 2.903 20 0 DFADRP C[C@H]([NH3+])C[C@H](C)NC1[C@@H](C)C[NH+](Cc2ccccc2)C[C@@H]1C ZINC000422892449 296351442 /nfs/dbraw/zinc/35/14/42/296351442.db2.gz YPCPPJCMZITFHB-QAETUUGQSA-N 2 0 303.494 2.858 20 0 DFADRP C[C@H]([NH3+])C[C@H](C)N[C@H]1[C@H](C)C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000422892446 296351527 /nfs/dbraw/zinc/35/15/27/296351527.db2.gz YPCPPJCMZITFHB-CNMWIUBYSA-N 2 0 303.494 2.858 20 0 DFADRP Cc1nc(C[NH3+])ccc1[C@@H](C)NCC[N@H+]1[C@H](C)CCC[C@@H]1C ZINC000422891961 296351568 /nfs/dbraw/zinc/35/15/68/296351568.db2.gz WZTHCQNMJNJXHI-QLFBSQMISA-N 2 0 304.482 2.762 20 0 DFADRP C[C@@H]([NH2+]CC(C)(C)c1ccc(Br)cc1)C1C[NH2+]C1 ZINC000422884672 296350630 /nfs/dbraw/zinc/35/06/30/296350630.db2.gz SOIKKFYWSWEYHW-LLVKDONJSA-N 2 0 311.267 2.924 20 0 DFADRP C[C@@H](NC1[C@H](C)C[NH+](Cc2ccccc2)C[C@H]1C)[C@H]1CCC[NH2+]1 ZINC000422887063 296350767 /nfs/dbraw/zinc/35/07/67/296350767.db2.gz JXTSWTJYQZGEDB-YWTNHNAXSA-N 2 0 315.505 2.873 20 0 DFADRP COc1cccc(N2CC[C@@H](C[NH2+][C@@H](C)[C@@H]3CCCC[NH2+]3)C2)c1 ZINC000422899814 296352735 /nfs/dbraw/zinc/35/27/35/296352735.db2.gz IGZQBYHTSXWDIU-BXWFABGCSA-N 2 0 317.477 2.642 20 0 DFADRP Cc1nccn1-c1ccc(C[NH2+]C2CCC([NH3+])CC2)cc1F ZINC000422900431 296353112 /nfs/dbraw/zinc/35/31/12/296353112.db2.gz JEIQDEWHMJTWDO-UHFFFAOYSA-N 2 0 302.397 2.679 20 0 DFADRP Cc1c2cc(F)ccc2oc1C[NH2+][C@@H]1CCOC[C@@H]1[C@H](C)[NH3+] ZINC000422900671 296353145 /nfs/dbraw/zinc/35/31/45/296353145.db2.gz JVDCHRJAKDMQOB-NILFDRSVSA-N 2 0 306.381 2.722 20 0 DFADRP Cc1ccccc1C[NH+]1CCC(N[C@@H](C)[C@H]2CC[NH2+]C2)CC1 ZINC000422902126 296353361 /nfs/dbraw/zinc/35/33/61/296353361.db2.gz TUBHYUJKQBRBQN-IRXDYDNUSA-N 2 0 301.478 2.547 20 0 DFADRP C[C@@H]([NH2+]C[C@@H]1CCN(c2ccc(F)cc2)C1)[C@H]1CCCC[NH2+]1 ZINC000422902674 296353376 /nfs/dbraw/zinc/35/33/76/296353376.db2.gz UXUMDLNGNJFPSF-RVKKMQEKSA-N 2 0 305.441 2.772 20 0 DFADRP Cc1nc(CC[NH2+][C@@H](Cc2ccccc2)[C@H](C)[NH3+])sc1C ZINC000422895058 296352205 /nfs/dbraw/zinc/35/22/05/296352205.db2.gz VDJXQVNOLCLLBT-LRDDRELGSA-N 2 0 303.475 2.851 20 0 DFADRP Cc1nccn1-c1ccc(C[NH2+][C@@H]2CC[NH2+]CC[C@@H]2C)cc1F ZINC000422904879 296353945 /nfs/dbraw/zinc/35/39/45/296353945.db2.gz QYDHZMKXGKHXGP-SUMWQHHRSA-N 2 0 316.424 2.798 20 0 DFADRP C[C@H]([NH2+][C@@H]1CCCN(Cc2c(F)cccc2F)C1)[C@@H]1CC[NH2+]C1 ZINC000422906482 296354335 /nfs/dbraw/zinc/35/43/35/296354335.db2.gz JWCYKOPVLVEYAK-RRFJBIMHSA-N 2 0 323.431 2.517 20 0 DFADRP Fc1ccc(N2CC[C@H](C[NH2+]C3C[C@H]4CC[C@@H](C3)[NH2+]4)C2)cc1 ZINC000422905477 296354420 /nfs/dbraw/zinc/35/44/20/296354420.db2.gz ZDSDOMYAZJZKOP-KTFSGNIMSA-N 2 0 303.425 2.525 20 0 DFADRP [NH3+]C1CCC([NH2+]CCc2nc3ccccc3n2C(F)F)CC1 ZINC000422908729 296354542 /nfs/dbraw/zinc/35/45/42/296354542.db2.gz DSLDAHPPINRBAX-UHFFFAOYSA-N 2 0 308.376 2.833 20 0 DFADRP COc1cccc(N2CC[C@H](C[NH2+][C@@H]3CCCC[C@@H]3C[NH3+])C2)c1 ZINC000422907624 296354701 /nfs/dbraw/zinc/35/47/01/296354701.db2.gz XGRFFJGNDREMJT-GPMSIDNRSA-N 2 0 317.477 2.629 20 0 DFADRP CC[C@H](Nc1cccc(OCC[NH+](C)C)c1)[C@H]1CCCC[NH2+]1 ZINC000422909612 296354737 /nfs/dbraw/zinc/35/47/37/296354737.db2.gz GLPNAFCRMBEYKY-ZWKOTPCHSA-N 2 0 305.466 2.960 20 0 DFADRP CSC1(C[NH2+][C@H](C)C[C@@H]2CCCCC[NH2+]2)CCOCC1 ZINC000422917260 296355306 /nfs/dbraw/zinc/35/53/06/296355306.db2.gz FSXJRUGSYOBPLF-CABCVRRESA-N 2 0 300.512 2.799 20 0 DFADRP Cc1cccc(NCC[NH2+][C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)n1 ZINC000422919867 296355584 /nfs/dbraw/zinc/35/55/84/296355584.db2.gz LCCFPTQCBFAKEH-GVDBMIGSSA-N 2 0 302.466 2.702 20 0 DFADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]Cc1cc(Cl)c2c(c1)OCCCO2 ZINC000422926479 296356154 /nfs/dbraw/zinc/35/61/54/296356154.db2.gz DEHSTBHUMNBWFT-DOMZBBRYSA-N 2 0 324.852 2.979 20 0 DFADRP C[C@H]([NH3+])[C@@H]1COCC[C@H]1[NH2+]CC1(Cc2ccccc2)CCC1 ZINC000422926754 296356074 /nfs/dbraw/zinc/35/60/74/296356074.db2.gz DVGSTILNHRGYAK-RYQLBKOJSA-N 2 0 302.462 2.741 20 0 DFADRP C[C@@H]([NH3+])C[C@H](C)[NH2+]Cc1ccc(C(=O)N2CCCCC2)cc1 ZINC000422926764 296356077 /nfs/dbraw/zinc/35/60/77/296356077.db2.gz DYGKVENPNFCOEX-CABCVRRESA-N 2 0 303.450 2.528 20 0 DFADRP C[C@@H]1C[C@@H](N(C)c2nc3ccccc3n3cncc23)CC[N@@H+]1C ZINC000623992006 399516543 /nfs/dbraw/zinc/51/65/43/399516543.db2.gz ZCGHJNQHJDBLPB-KGLIPLIRSA-N 2 0 309.417 2.801 20 0 DFADRP C[C@H](CCC[NH3+])[NH2+][C@H]1CCCN(Cc2c(F)cccc2F)C1 ZINC000422911304 296355095 /nfs/dbraw/zinc/35/50/95/296355095.db2.gz SQNXBHQVLHQWIE-KGLIPLIRSA-N 2 0 311.420 2.646 20 0 DFADRP CC[C@H](Cc1ccccc1Br)[NH2+][C@H](C)C1C[NH2+]C1 ZINC000422928199 296356498 /nfs/dbraw/zinc/35/64/98/296356498.db2.gz JLYXNRRATFLWPK-BXUZGUMPSA-N 2 0 311.267 2.968 20 0 DFADRP COc1ccc(C[NH2+][C@H](C)c2ccc(C[NH3+])nc2C)c(F)c1 ZINC000422927095 296356509 /nfs/dbraw/zinc/35/65/09/296356509.db2.gz FLCBLPRKGPJHAG-LLVKDONJSA-N 2 0 303.381 2.847 20 0 DFADRP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]CCc1ccccc1OC(F)(F)F ZINC000422929136 296356630 /nfs/dbraw/zinc/35/66/30/296356630.db2.gz OIXDXBFPLLCSLL-STQMWFEESA-N 2 0 302.340 2.845 20 0 DFADRP [NH3+][C@H]1CCC[C@@H]1[NH2+]CCc1ccc(F)c(Br)c1 ZINC000422931309 296356767 /nfs/dbraw/zinc/35/67/67/296356767.db2.gz BMAUVIKAEWIBAL-STQMWFEESA-N 2 0 301.203 2.600 20 0 DFADRP CC[C@@H]([NH2+]CCCc1ccc2c(c1)OCCO2)[C@H]1CCCC[NH2+]1 ZINC000422929638 296356852 /nfs/dbraw/zinc/35/68/52/296356852.db2.gz QVQSGHSTBPSQBE-IAGOWNOFSA-N 2 0 318.461 2.901 20 0 DFADRP C[C@@H](CCC[NH3+])[NH2+]CCOc1cccc(Br)c1 ZINC000422929788 296356949 /nfs/dbraw/zinc/35/69/49/296356949.db2.gz AALWDUDXTLUINL-NSHDSACASA-N 2 0 301.228 2.545 20 0 DFADRP COc1cc(OC)cc(OCCC[NH2+][C@H]2CCCC[C@@H]2C[NH3+])c1 ZINC000422931896 296357277 /nfs/dbraw/zinc/35/72/77/296357277.db2.gz YJEONKQVPMNHOV-KDOFPFPSSA-N 2 0 322.449 2.580 20 0 DFADRP C[C@H](CCC[NH3+])[NH2+]Cc1ccc(C(=O)N2CCCCC2)cc1 ZINC000422928483 296356342 /nfs/dbraw/zinc/35/63/42/296356342.db2.gz KSBHLWUIDYQJHV-OAHLLOKOSA-N 2 0 303.450 2.530 20 0 DFADRP CCOC(=O)C1([C@@H](C)[NH2+]C2(c3ccccc3)CC2)CC[NH2+]CC1 ZINC000422936990 296357934 /nfs/dbraw/zinc/35/79/34/296357934.db2.gz NKRYORCZCVSMJK-OAHLLOKOSA-N 2 0 316.445 2.587 20 0 DFADRP O=C(CCC[NH2+][C@H]1CCC[NH2+]CC1)Nc1ccc(Cl)cc1 ZINC000422938221 296358159 /nfs/dbraw/zinc/35/81/59/296358159.db2.gz GZESLAPAQXTOGF-AWEZNQCLSA-N 2 0 309.841 2.790 20 0 DFADRP C[C@@H](CCC[NH3+])[NH2+]C1CCN(c2nc3ccccc3s2)CC1 ZINC000422942948 296358507 /nfs/dbraw/zinc/35/85/07/296358507.db2.gz KZXVGGJDYHRALQ-ZDUSSCGKSA-N 2 0 318.490 2.982 20 0 DFADRP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]CCOc1cccc(Br)c1 ZINC000422943345 296358569 /nfs/dbraw/zinc/35/85/69/296358569.db2.gz LCJPEEMREQYPJI-FZMZJTMJSA-N 2 0 313.239 2.545 20 0 DFADRP C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)c2ccc3c(c2)C[NH2+]C3)C1 ZINC000347501857 285060779 /nfs/dbraw/zinc/06/07/79/285060779.db2.gz MUYWVOYFWFDPCK-CQSZACIVSA-N 2 0 315.461 2.530 20 0 DFADRP C[C@H]1CC[NH2+]C[C@@H]1NCCc1coc(-c2ccc(F)cc2)n1 ZINC000422946038 296358910 /nfs/dbraw/zinc/35/89/10/296358910.db2.gz ODOAGPGWNZUHKM-LRDDRELGSA-N 2 0 303.381 2.611 20 0 DFADRP [NH3+]C[C@H]1CCC[C@@H]1[NH2+]CCOc1ccc(Br)cc1 ZINC000422944676 296358965 /nfs/dbraw/zinc/35/89/65/296358965.db2.gz LWIVZPTUBITRHC-RISCZKNCSA-N 2 0 313.239 2.545 20 0 DFADRP C[C@@H]([NH2+]CCOc1ccc(C(F)(F)F)cc1)[C@H]1CC[NH2+]C1 ZINC000422949084 296359805 /nfs/dbraw/zinc/35/98/05/296359805.db2.gz SRANRFQYUWVMHB-NEPJUHHUSA-N 2 0 302.340 2.672 20 0 DFADRP COc1ccc(C[NH2+][C@@H]2CCOC[C@@H]2[C@@H]2CCC[NH2+]2)cc1Cl ZINC000422948071 296359814 /nfs/dbraw/zinc/35/98/14/296359814.db2.gz ZKIMXKQEICKYPJ-VNQPRFMTSA-N 2 0 324.852 2.595 20 0 DFADRP COc1ccc(C[NH2+][C@@H]2CCOC[C@@H]2[C@H]2CCC[NH2+]2)cc1Cl ZINC000422948069 296359817 /nfs/dbraw/zinc/35/98/17/296359817.db2.gz ZKIMXKQEICKYPJ-FVQBIDKESA-N 2 0 324.852 2.595 20 0 DFADRP [NH3+]C[C@@H]1CCC[C@H]1[NH2+]CCCc1nc(-c2ccncc2)cs1 ZINC000422956962 296360640 /nfs/dbraw/zinc/36/06/40/296360640.db2.gz RSNZYPAAUPDNJY-LSDHHAIUSA-N 2 0 316.474 2.855 20 0 DFADRP C[C@H](CCC[NH3+])Nc1cccc(C[NH+]2C[C@H](C)O[C@@H](C)C2)c1 ZINC000422956514 296360747 /nfs/dbraw/zinc/36/07/47/296360747.db2.gz PUCLYXHNLQHHNW-PMPSAXMXSA-N 2 0 305.466 2.835 20 0 DFADRP [NH3+][C@H]1C[C@H]([NH2+]CCCNC(=O)c2cccs2)c2ccccc21 ZINC000422957028 296360751 /nfs/dbraw/zinc/36/07/51/296360751.db2.gz SAUFEADSKJNVRV-GJZGRUSLSA-N 2 0 315.442 2.602 20 0 DFADRP CC[N@H+](Cc1ccc(C(=O)N(C)Cc2ncc[nH]2)cc1)C1CC1 ZINC000347515031 285067739 /nfs/dbraw/zinc/06/77/39/285067739.db2.gz JJGCMPHPYXQHDU-UHFFFAOYSA-N 2 0 312.417 2.666 20 0 DFADRP C[C@@H](CCC[NH3+])Nc1cccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000422956512 296360764 /nfs/dbraw/zinc/36/07/64/296360764.db2.gz PUCLYXHNLQHHNW-HRCADAONSA-N 2 0 305.466 2.835 20 0 DFADRP [NH3+][C@@H]1C[C@@H]([NH2+]CCCNC(=O)c2cccs2)c2ccccc21 ZINC000422957029 296360800 /nfs/dbraw/zinc/36/08/00/296360800.db2.gz SAUFEADSKJNVRV-HUUCEWRRSA-N 2 0 315.442 2.602 20 0 DFADRP C[C@H](C[C@H](C)[NH3+])[NH2+]CCCc1nc(-c2ccncc2)cs1 ZINC000422956965 296360569 /nfs/dbraw/zinc/36/05/69/296360569.db2.gz RSPWDLZVGUGDSA-QWHCGFSZSA-N 2 0 304.463 2.853 20 0 DFADRP C[C@H]([NH2+]CC1(c2ccccc2Cl)CCOCC1)C1C[NH2+]C1 ZINC000422959988 296361362 /nfs/dbraw/zinc/36/13/62/296361362.db2.gz UXHWDIULDLGRDU-ZDUSSCGKSA-N 2 0 308.853 2.586 20 0 DFADRP c1ccc([C@H]2C[C@H]([NH2+][C@@H]3CCOC[C@H]3[C@H]3CCC[NH2+]3)C2)cc1 ZINC000422963001 296361630 /nfs/dbraw/zinc/36/16/30/296361630.db2.gz DYMZFOOMRASONM-LTFXXXRZSA-N 2 0 300.446 2.679 20 0 DFADRP CC[C@H](NC[C@H](c1ccco1)[NH+]1CCCC1)[C@@H]1CCCC[NH2+]1 ZINC000422963600 296361681 /nfs/dbraw/zinc/36/16/81/296361681.db2.gz IZMWNRQTOJQGOM-YESZJQIVSA-N 2 0 305.466 2.927 20 0 DFADRP c1cn2c(n1)[C@H](C[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1)CCC2 ZINC000422963688 296361711 /nfs/dbraw/zinc/36/17/11/296361711.db2.gz GKHZFKZWEXXBFZ-YLFCFFPRSA-N 2 0 302.466 2.661 20 0 DFADRP CCC(CC)[C@H](CN[C@@H](Cc1ccccc1)[C@H](C)[NH3+])[NH+](C)C ZINC000422962709 296361805 /nfs/dbraw/zinc/36/18/05/296361805.db2.gz GMUXUJFQKSHAKT-SNRMKQJTSA-N 2 0 305.510 2.901 20 0 DFADRP C[C@H]([NH3+])C[C@H](C)[NH2+]CCNc1cccc(Br)c1 ZINC000422966689 296361972 /nfs/dbraw/zinc/36/19/72/296361972.db2.gz RSLYDQMYHOBHAQ-QWRGUYRKSA-N 2 0 300.244 2.576 20 0 DFADRP Cc1nn(-c2ccccc2)cc1CCC[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000422965247 296362154 /nfs/dbraw/zinc/36/21/54/296362154.db2.gz OCWMWVVPLRYKES-DFNIBXOVSA-N 2 0 324.472 2.986 20 0 DFADRP CC(C)[C@H](CN[C@H](Cc1ccccc1)[C@@H](C)[NH3+])[NH+]1CCCC1 ZINC000422967108 296362764 /nfs/dbraw/zinc/36/27/64/296362764.db2.gz SJQAOPNPHTXEDX-QRQLOZEOSA-N 2 0 303.494 2.655 20 0 DFADRP CC(C)Oc1ccc(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)cn1 ZINC000422969887 296362925 /nfs/dbraw/zinc/36/29/25/296362925.db2.gz DUJFYABUNABPPI-YESZJQIVSA-N 2 0 303.450 2.879 20 0 DFADRP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2c1nc2ccccc2n2cncc12 ZINC000624025890 399527849 /nfs/dbraw/zinc/52/78/49/399527849.db2.gz SQQSYKXHRYRPBL-CABCVRRESA-N 2 0 321.428 2.946 20 0 DFADRP C[C@H]([NH2+]Cc1ccnc(OCc2ccccc2)c1)[C@@H]1CC[NH2+]C1 ZINC000422971415 296363016 /nfs/dbraw/zinc/36/30/16/296363016.db2.gz IRPVBOBARQAVNW-MAUKXSAKSA-N 2 0 311.429 2.748 20 0 DFADRP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]CCC[C@@H]1CCCC[C@H]1O ZINC000422987330 296364216 /nfs/dbraw/zinc/36/42/16/296364216.db2.gz FVOCLUOSLKLYFI-DSLXNQLJSA-N 2 0 304.478 2.866 20 0 DFADRP [NH3+][C@@H]1C[C@@H]([NH2+][C@@H](CO)Cc2c[nH]c3ccccc23)c2ccccc21 ZINC000422978752 296363581 /nfs/dbraw/zinc/36/35/81/296363581.db2.gz KMFDPSOWBKLBCE-LXGCGDOSSA-N 2 0 321.424 2.806 20 0 DFADRP C[C@H]([NH2+]CCc1nc(-c2cccc(Cl)c2)no1)[C@@H]1CC[NH2+]C1 ZINC000422983662 296364028 /nfs/dbraw/zinc/36/40/28/296364028.db2.gz ULRJCFHQGDEMHL-WCQYABFASA-N 2 0 320.824 2.520 20 0 DFADRP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1[NH2+]CCOc1cccc(C(C)(C)C)c1 ZINC000422983284 296364030 /nfs/dbraw/zinc/36/40/30/296364030.db2.gz SPAOZKALLBUYTK-WBAXXEDZSA-N 2 0 320.477 2.705 20 0 DFADRP C[C@@H]1C[C@@H](CC[NH2+]C2CC[NH2+]CC2)C[N@@H+]1Cc1ccccc1 ZINC000422997477 296365100 /nfs/dbraw/zinc/36/51/00/296365100.db2.gz BJKNLJGIQWORTJ-SJLPKXTDSA-N 3 0 301.478 2.629 20 0 DFADRP CC(C)(C)C[C@H](CO)[NH2+][C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422997386 296365253 /nfs/dbraw/zinc/36/52/53/296365253.db2.gz OAHBSATXWPLFHF-SIXWZSSISA-N 2 0 318.461 2.629 20 0 DFADRP CCC1(C[NH2+][C@@H](C)C2C[NH2+]C2)CC[NH+](Cc2ccccc2)CC1 ZINC000423004198 296366213 /nfs/dbraw/zinc/36/62/13/296366213.db2.gz OMYFWONKCWAAFU-KRWDZBQOSA-N 3 0 315.505 2.876 20 0 DFADRP Cc1nc(C[NH3+])ccc1[C@@H](C)NC1CC[NH+](C(C)(C)C)CC1 ZINC000422996758 296365326 /nfs/dbraw/zinc/36/53/26/296365326.db2.gz UHVQCMDPLMECBD-CYBMUJFWSA-N 2 0 304.482 2.762 20 0 DFADRP CC(C)[NH+]1CCC(N[C@H]2CC[NH2+][C@@H](c3ccccc3)C2)CC1 ZINC000422996741 296365348 /nfs/dbraw/zinc/36/53/48/296365348.db2.gz UFUPWSBGGRRKDN-RBUKOAKNSA-N 2 0 301.478 2.942 20 0 DFADRP FC(F)(F)COCc1cccc(C[NH2+][C@H]2CCC[NH2+]CC2)c1 ZINC000423000003 296365441 /nfs/dbraw/zinc/36/54/41/296365441.db2.gz GLUBRYFRNWQEFV-HNNXBMFYSA-N 2 0 316.367 2.997 20 0 DFADRP CCC(CC)[C@H](CC[NH2+][C@@H]1CCOC[C@@H]1[C@@H]1CCC[NH2+]1)OC ZINC000423001099 296365765 /nfs/dbraw/zinc/36/57/65/296365765.db2.gz WMSHUIMKLQAWPA-XDNAFOTISA-N 2 0 312.498 2.574 20 0 DFADRP CC[C@H]([NH2+][C@H](C)CCC[NH3+])[C@H](c1ccc(C)cc1)n1cncn1 ZINC000423011044 296367319 /nfs/dbraw/zinc/36/73/19/296367319.db2.gz ICDSQDANRHZKCP-NJAFHUGGSA-N 2 0 315.465 2.672 20 0 DFADRP [NH3+]CC1CCC([NH2+]CCOc2cccc(C(F)(F)F)n2)CC1 ZINC000423009156 296367049 /nfs/dbraw/zinc/36/70/49/296367049.db2.gz CIULYJTWSHADOE-UHFFFAOYSA-N 2 0 317.355 2.586 20 0 DFADRP C[C@H](C[NH2+]C1CCC([NH3+])CC1)c1nc(-c2ccccc2)no1 ZINC000423008424 296367128 /nfs/dbraw/zinc/36/71/28/296367128.db2.gz AEALDHJOSKQTLX-LRVUVFPRSA-N 2 0 300.406 2.700 20 0 DFADRP CC(C)C[N@@H+]1CCC[C@@H]1CN[C@@H](Cc1ccccc1)[C@H](C)[NH3+] ZINC000423005334 296366314 /nfs/dbraw/zinc/36/63/14/296366314.db2.gz RMPFAMLAMJEQSC-UHOSZYNNSA-N 2 0 303.494 2.655 20 0 DFADRP Cc1cn2c(n1)[C@H](C[NH2+][C@@H](Cc1ccccc1)[C@H](C)[NH3+])CCC2 ZINC000423005531 296366419 /nfs/dbraw/zinc/36/64/19/296366419.db2.gz MLMICPHZGXITIJ-SZMVWBNQSA-N 2 0 312.461 2.617 20 0 DFADRP Cc1cn2c(n1)[C@H](C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1)CCC2 ZINC000423006144 296366579 /nfs/dbraw/zinc/36/65/79/296366579.db2.gz OGAYEJHMJREWMR-XWTMOSNGSA-N 2 0 316.493 2.969 20 0 DFADRP C[C@@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]CCc1cnc(C2CC2)nc1 ZINC000423009538 296366906 /nfs/dbraw/zinc/36/69/06/296366906.db2.gz DFANCWDSKYQACM-YOEHRIQHSA-N 2 0 302.466 2.797 20 0 DFADRP CN1CC[C@@H]([NH2+]C2CCC([NH3+])CC2)[C@@H]1c1ccc(Cl)cc1 ZINC000423008634 296366937 /nfs/dbraw/zinc/36/69/37/296366937.db2.gz ATCRMSTYHWCIOA-BACDZXNISA-N 2 0 307.869 2.945 20 0 DFADRP COc1ccc([C@H](OC)[C@@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000423015168 296367718 /nfs/dbraw/zinc/36/77/18/296367718.db2.gz KCONTTGERFBLDT-VMQANIIQSA-N 2 0 304.434 2.644 20 0 DFADRP COc1cc(F)cc(C[NH2+][C@@H](C)c2ccc(C[NH3+])nc2C)c1 ZINC000423017286 296368164 /nfs/dbraw/zinc/36/81/64/296368164.db2.gz OHRZMCBJMWEQTG-NSHDSACASA-N 2 0 303.381 2.847 20 0 DFADRP CC[C@H]([NH2+][C@H](C)C[C@H](C)[NH3+])[C@H](c1ccc(C)cc1)n1cncn1 ZINC000423015496 296368247 /nfs/dbraw/zinc/36/82/47/296368247.db2.gz RGCQEWAHKBIWAY-MVJTYMMSSA-N 2 0 315.465 2.670 20 0 DFADRP CC[C@H]([NH2+][C@H](C)CCC[NH3+])[C@@H](c1ccc(C)cc1)n1cncn1 ZINC000423011043 296367339 /nfs/dbraw/zinc/36/73/39/296367339.db2.gz ICDSQDANRHZKCP-BPQIPLTHSA-N 2 0 315.465 2.672 20 0 DFADRP C[C@H]([NH2+][C@H]1CCN(c2ccc(Cl)c(F)c2)C1)[C@H]1CC[NH2+]C1 ZINC000423020667 296368356 /nfs/dbraw/zinc/36/83/56/296368356.db2.gz CNKPYQRBVZAKLQ-AVGNSLFASA-N 2 0 311.832 2.645 20 0 DFADRP COC[C@@H](CCC[NH3+])[NH2+][C@H]1CCCOc2c(Cl)cccc21 ZINC000423026019 296369161 /nfs/dbraw/zinc/36/91/61/296369161.db2.gz MTDUUXZMODDLET-DOMZBBRYSA-N 2 0 312.841 2.897 20 0 DFADRP COc1ccccc1OC[C@H](C)C[NH2+][C@@H]1CCCC[C@@H]1C[NH3+] ZINC000423025896 296369314 /nfs/dbraw/zinc/36/93/14/296369314.db2.gz PKWKVYHLLRJMAS-BZUAXINKSA-N 2 0 306.450 2.817 20 0 DFADRP COc1ccccc1OC[C@H](C)C[NH2+][C@H]1CC[NH2+]CC[C@@H]1C ZINC000423020870 296368595 /nfs/dbraw/zinc/36/85/95/296368595.db2.gz DAESMXYVNOIMBQ-PMPSAXMXSA-N 2 0 306.450 2.688 20 0 DFADRP Fc1ccc2c(c1)CCC[C@@H]2[NH2+][C@@H]1CCOC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000423023886 296368766 /nfs/dbraw/zinc/36/87/66/296368766.db2.gz KRPAYGXGLIFYHM-CADBVGFASA-N 2 0 318.436 2.950 20 0 DFADRP Fc1ccc2c(c1)CCC[C@@H]2[NH2+][C@@H]1CCOC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000423023885 296368804 /nfs/dbraw/zinc/36/88/04/296368804.db2.gz KRPAYGXGLIFYHM-AKHDSKFASA-N 2 0 318.436 2.950 20 0 DFADRP Fc1ccc([C@H]2C[C@@H]([NH2+]C3C[C@H]4CC[C@@H](C3)[NH2+]4)CCO2)cc1 ZINC000423033788 296370189 /nfs/dbraw/zinc/37/01/89/296370189.db2.gz GYBDAXBBFZDBCF-GFHHTVLPSA-N 2 0 304.409 2.918 20 0 DFADRP CC(C)[NH+]1CCN(c2cccc(N[C@@H](C)[C@@H]3CC[NH2+]C3)c2)CC1 ZINC000423033509 296370319 /nfs/dbraw/zinc/37/03/19/296370319.db2.gz WZBYTXNAZQUTLR-DLBZAZTESA-N 2 0 316.493 2.627 20 0 DFADRP C[C@H](CCN[C@@H](Cc1ccccc1)[C@H](C)[NH3+])[NH+]1CCCCC1 ZINC000423031485 296369909 /nfs/dbraw/zinc/36/99/09/296369909.db2.gz LAOSVIORNBNQFT-AOIWGVFYSA-N 2 0 303.494 2.799 20 0 DFADRP C[C@H](C[C@H](C)[NH3+])[NH2+]CCCc1nc(-c2ccc(F)cc2)no1 ZINC000423030940 296370040 /nfs/dbraw/zinc/37/00/40/296370040.db2.gz KJHQFBPSQSGLTL-NWDGAFQWSA-N 2 0 306.385 2.524 20 0 DFADRP C[C@H]([NH3+])[C@H]1COCC[C@@H]1[NH2+]Cc1ccccc1N1CCCCC1 ZINC000423041994 296371092 /nfs/dbraw/zinc/37/10/92/296371092.db2.gz KCLKCYKIIULZMP-JQHSSLGASA-N 2 0 317.477 2.519 20 0 DFADRP CCN(CC)C(=O)C[C@@H](C)[NH2+]C[C@@H]1CCN1C1CCCCC1 ZINC000624077389 399545174 /nfs/dbraw/zinc/54/51/74/399545174.db2.gz IYBQBBGPYAPRQZ-WBVHZDCISA-N 2 0 309.498 2.630 20 0 DFADRP Cn1cc([C@H]([NH2+]C2CCC([NH3+])CC2)c2ccc(F)cc2)cn1 ZINC000423052297 296372570 /nfs/dbraw/zinc/37/25/70/296372570.db2.gz PMXLQLRTCYKIJC-OFLPRAFFSA-N 2 0 302.397 2.508 20 0 DFADRP CC[C@H]([NH2+]C[C@@H]1Cc2ccccc2N(C)C1)[C@H]1CCCC[NH2+]1 ZINC000423054909 296372675 /nfs/dbraw/zinc/37/26/75/296372675.db2.gz CFZAVZBNNOGKIU-RYQLBKOJSA-N 2 0 301.478 2.805 20 0 DFADRP Cn1nc(CC[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)c2ccccc21 ZINC000423050627 296372226 /nfs/dbraw/zinc/37/22/26/296372226.db2.gz LORDGWZJBWWEAD-USXIJHARSA-N 2 0 312.461 2.626 20 0 DFADRP Cc1ccccc1C[C@H](CO)[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1 ZINC000423058458 296373253 /nfs/dbraw/zinc/37/32/53/296373253.db2.gz JNDYMDYURJRFJI-FUMNGEBKSA-N 2 0 316.489 2.799 20 0 DFADRP Cc1ccc(C[C@H](CO)[NH2+][C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)cc1 ZINC000423058916 296373282 /nfs/dbraw/zinc/37/32/82/296373282.db2.gz KSDJEXGKJNLULO-IYWMVGAKSA-N 2 0 316.489 2.799 20 0 DFADRP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]CCN1CCc2c(Cl)cccc2C1 ZINC000423061452 296373507 /nfs/dbraw/zinc/37/35/07/296373507.db2.gz QRTKWRCJVAGRKC-KBXCAEBGSA-N 2 0 321.896 2.805 20 0 DFADRP Cc1cc(C(F)(F)F)ccc1C[NH2+][C@@H]1CCOC[C@H]1[C@@H](C)[NH3+] ZINC000423062107 296373532 /nfs/dbraw/zinc/37/35/32/296373532.db2.gz SKYRPFNUUMADKY-BYCMXARLSA-N 2 0 316.367 2.856 20 0 DFADRP CC[C@H]([NH2+]CCCN1CCC[C@H]1C(N)=O)c1cc(C)ccc1C ZINC000624086584 399548897 /nfs/dbraw/zinc/54/88/97/399548897.db2.gz MNRBWPYEPVNJQE-ROUUACIJSA-N 2 0 317.477 2.684 20 0 DFADRP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1[NH2+]CCCCCc1ccc(F)cc1 ZINC000423057968 296373005 /nfs/dbraw/zinc/37/30/05/296373005.db2.gz BDBRNRHABVZYFL-WBAXXEDZSA-N 2 0 308.441 2.880 20 0 DFADRP Cc1cccc(C[C@H](CO)[NH2+][C@H](C)C[C@@H]2CCCCC[NH2+]2)c1 ZINC000423057605 296373075 /nfs/dbraw/zinc/37/30/75/296373075.db2.gz HMNSTKHHPNTMOW-NZSAHSFTSA-N 2 0 304.478 2.799 20 0 DFADRP C[C@H]([NH3+])C[C@H](C)[NH2+][C@H]1CCN(c2ccccc2C(F)(F)F)C1 ZINC000423066777 296374223 /nfs/dbraw/zinc/37/42/23/296374223.db2.gz XVTSTXHPCCICIM-AVGNSLFASA-N 2 0 315.383 3.000 20 0 DFADRP C[C@@H](CCC[NH3+])[NH2+]CCCOc1ccc(C(F)(F)F)cn1 ZINC000423069051 296374574 /nfs/dbraw/zinc/37/45/74/296374574.db2.gz CXPCRGXBKUZEFK-NSHDSACASA-N 2 0 305.344 2.586 20 0 DFADRP COC[C@@H](CCC[NH3+])[NH2+]CCc1cn(C)c2cc(Cl)ccc12 ZINC000423064129 296373780 /nfs/dbraw/zinc/37/37/80/296373780.db2.gz QMZIGJYDBWWRSK-OAHLLOKOSA-N 2 0 323.868 2.718 20 0 DFADRP Cc1ccc([C@@H](C)[NH2+]Cc2ccnc(N3CC[NH+](C)CC3)c2)cc1 ZINC000159205741 197335652 /nfs/dbraw/zinc/33/56/52/197335652.db2.gz RWBQSJOSZZYJDV-QGZVFWFLSA-N 2 0 324.472 2.993 20 0 DFADRP CCCNc1ccc(C[NH2+][C@@H]2CCOC[C@H]2[C@@H]2CCC[NH2+]2)cc1 ZINC000423073006 296375333 /nfs/dbraw/zinc/37/53/33/296375333.db2.gz IBCQTEIPRGWUCQ-GBESFXJTSA-N 2 0 317.477 2.755 20 0 DFADRP c1ccc([C@@H]([NH2+]C2CCN([C@H]3CCOC3)CC2)C2CCC2)nc1 ZINC000624105173 399554554 /nfs/dbraw/zinc/55/45/54/399554554.db2.gz FKWQJQHSJRNARO-HKUYNNGSSA-N 2 0 315.461 2.766 20 0 DFADRP Cc1nc(C[NH3+])ccc1[C@@H](C)NCC(C)(C)C[NH+]1CCCC1 ZINC000423078768 296375964 /nfs/dbraw/zinc/37/59/64/296375964.db2.gz PGMAHFKCWHWSNH-CQSZACIVSA-N 2 0 304.482 2.621 20 0 DFADRP C[C@@H](NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1)[C@@H]1CCC[NH2+]1 ZINC000423080348 296376060 /nfs/dbraw/zinc/37/60/60/296376060.db2.gz ABWXKBHENHXOOD-WPPJOMGTSA-N 2 0 319.415 2.522 20 0 DFADRP C[C@@H](CCCC[NH3+])[NH2+]C1CC(N2CCC(C(F)(F)F)CC2)C1 ZINC000423087593 296376831 /nfs/dbraw/zinc/37/68/31/296376831.db2.gz PXZNCIBPFYFQLG-GRTSSRMGSA-N 2 0 321.431 2.899 20 0 DFADRP C[C@H](C[C@H](C)[NH3+])NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000423091309 296377083 /nfs/dbraw/zinc/37/70/83/296377083.db2.gz ZWBJRLJBHHGJHM-YWBBTBBSSA-N 2 0 307.404 2.507 20 0 DFADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]CCN1CCCC(C)(C)C1 ZINC000423089996 296377148 /nfs/dbraw/zinc/37/71/48/296377148.db2.gz ULNLGGHADSAXKO-AWEZNQCLSA-N 2 0 304.482 2.621 20 0 DFADRP C[C@H]([NH3+])[C@@H](Cc1ccccc1)NC1CC([NH+]2CCCCC2)C1 ZINC000423095487 296377998 /nfs/dbraw/zinc/37/79/98/296377998.db2.gz MNLHPROPRJWWKC-GWFLUQINSA-N 2 0 301.478 2.551 20 0 DFADRP [NH3+][C@H]1CCC[C@@H]1[NH2+]CCc1cccc(OCC(F)(F)F)c1 ZINC000423096606 296378015 /nfs/dbraw/zinc/37/80/15/296378015.db2.gz PPGFRSNWFSCMTL-KBPBESRZSA-N 2 0 302.340 2.640 20 0 DFADRP CC[C@@H]([NH2+]C1CCN(c2nccs2)CC1)[C@H]1CCCC[NH2+]1 ZINC000423095310 296377483 /nfs/dbraw/zinc/37/74/83/296377483.db2.gz DQNMKLCPLOPAEZ-HUUCEWRRSA-N 2 0 308.495 2.622 20 0 DFADRP C[C@H]([NH2+]CCc1cccc(OCC(F)(F)F)c1)[C@H]1CC[NH2+]C1 ZINC000423099893 296378296 /nfs/dbraw/zinc/37/82/96/296378296.db2.gz UOHPCSLJFUFJNX-JSGCOSHPSA-N 2 0 316.367 2.758 20 0 DFADRP CCN1CCO[C@@H](C[NH2+][C@@H](C)CCCC[NH3+])[C@@H]1c1ccccc1 ZINC000423101203 296378316 /nfs/dbraw/zinc/37/83/16/296378316.db2.gz IHFRZIYMKMYCQZ-WDSOQIARSA-N 2 0 319.493 2.556 20 0 DFADRP C[C@@H](CC(=O)Nc1cccc(F)c1)[NH2+]C[C@H]1CCCC[N@H+](C)C1 ZINC000624121455 399560253 /nfs/dbraw/zinc/56/02/53/399560253.db2.gz WUUGTLMBKWRPKT-LSDHHAIUSA-N 2 0 321.440 2.864 20 0 DFADRP CCS(=O)(=O)c1ccc([C@@H](C)[NH2+][C@@H](C)CCCC[NH3+])cc1 ZINC000423109639 296379358 /nfs/dbraw/zinc/37/93/58/296379358.db2.gz STQSJGPUNCPQNJ-UONOGXRCSA-N 2 0 312.479 2.648 20 0 DFADRP FC1(F)CCC(C[NH2+][C@@H]2CCOC[C@@H]2[C@H]2CCC[NH2+]2)CC1 ZINC000423117535 296380286 /nfs/dbraw/zinc/38/02/86/296380286.db2.gz VVPAYFPDYLUFSL-RBSFLKMASA-N 2 0 302.409 2.559 20 0 DFADRP Cn1nccc1[C@H]1CCC[C@@H]([NH2+]C[C@H]2CCCC[N@H+](C)C2)C1 ZINC000624123953 399562783 /nfs/dbraw/zinc/56/27/83/399562783.db2.gz UPSNWPZTDSPNIF-IXDOHACOSA-N 2 0 304.482 2.768 20 0 DFADRP FC1(F)CCCC[C@H](C[NH2+][C@@H]2CCOC[C@H]2[C@@H]2CCC[NH2+]2)C1 ZINC000423121943 296381045 /nfs/dbraw/zinc/38/10/45/296381045.db2.gz BIJJEYLZWVXYFJ-YHUYYLMFSA-N 2 0 316.436 2.949 20 0 DFADRP C[C@H]([NH2+]CCc1c[nH]c2cccc(Br)c12)C1C[NH2+]C1 ZINC000423121342 296381138 /nfs/dbraw/zinc/38/11/38/296381138.db2.gz IJUULPMGIXATAM-JTQLQIEISA-N 2 0 322.250 2.670 20 0 DFADRP [NH3+]C1CCC([NH2+][C@H]2c3ccccc3CC23CCOCC3)CC1 ZINC000423130064 296382256 /nfs/dbraw/zinc/38/22/56/296382256.db2.gz YADAVEIOFRWYRP-HTWSVDAQSA-N 2 0 300.446 2.940 20 0 DFADRP C[C@H]([NH3+])C[C@H](C)[NH2+][C@H]1CCCN([C@@H](C)c2ccccc2F)C1=O ZINC000423130983 296382303 /nfs/dbraw/zinc/38/23/03/296382303.db2.gz HIUYSUVJTUNVFH-WSMBLCCSSA-N 2 0 321.440 2.593 20 0 DFADRP Fc1ccc([C@H]2C[C@H]([NH2+][C@@H]3CCOC[C@@H]3[C@@H]3CCC[NH2+]3)C2)cc1 ZINC000423128571 296381793 /nfs/dbraw/zinc/38/17/93/296381793.db2.gz LCFRSDXXZCVPDS-RXABAKJHSA-N 2 0 318.436 2.818 20 0 DFADRP C([NH2+][C@@H]1CCOC[C@H]1[C@H]1CCC[NH2+]1)[C@@H]1C[C@H]1C1CCCCC1 ZINC000423129195 296381944 /nfs/dbraw/zinc/38/19/44/296381944.db2.gz FADBUTOTHYIQCL-LTFXXXRZSA-N 2 0 306.494 2.950 20 0 DFADRP COc1ccc(CC[NH2+][C@H](C)C[C@@H](C)[NH3+])c(Cl)c1OC ZINC000423129183 296382022 /nfs/dbraw/zinc/38/20/22/296382022.db2.gz DZNGJLIQVAOXCO-GHMZBOCLSA-N 2 0 300.830 2.615 20 0 DFADRP c1ccc([C@H](C[NH2+][C@@H]2CCOC[C@@H]2[C@H]2CCC[NH2+]2)C2CC2)cc1 ZINC000423132252 296382590 /nfs/dbraw/zinc/38/25/90/296382590.db2.gz PCHUVSFWZFFHDM-MTQWCTHYSA-N 2 0 314.473 2.927 20 0 DFADRP [NH3+]C[C@@H]1CCC[C@H]1[NH2+]CCc1cnc(SC2CCCC2)nc1 ZINC000423133373 296382808 /nfs/dbraw/zinc/38/28/08/296382808.db2.gz KDQJAOZTPHVPNO-GOEBONIOSA-N 2 0 320.506 2.771 20 0 DFADRP CC(C)Cc1ccc([C@H](CN[C@@H]2CCC[C@H]2[NH3+])[NH+](C)C)cc1 ZINC000423136789 296382996 /nfs/dbraw/zinc/38/29/96/296382996.db2.gz ZLILBXDAUICZMH-QRVBRYPASA-N 2 0 303.494 2.957 20 0 DFADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]C[C@H](O)Cc1cccc(F)c1 ZINC000423142415 296384183 /nfs/dbraw/zinc/38/41/83/296384183.db2.gz AKIZMVHXDSUQGL-FHLIZLRMSA-N 2 0 308.441 2.630 20 0 DFADRP CCc1cc(CCC[NH+]2CCC(C[NH+]3CCCC3)CC2)on1 ZINC000347734047 285151335 /nfs/dbraw/zinc/15/13/35/285151335.db2.gz LLIVTRSXNOUCQA-UHFFFAOYSA-N 2 0 305.466 2.977 20 0 DFADRP CSc1ccc([C@@H](CN[C@H](C)[C@H]2CCC[NH2+]2)[NH+](C)C)cc1 ZINC000423146752 296384667 /nfs/dbraw/zinc/38/46/67/296384667.db2.gz QHJQEUMJFNTATF-KBRIMQKVSA-N 2 0 307.507 2.741 20 0 DFADRP C[C@H]([NH3+])[C@@H]1COCC[C@H]1[NH2+][C@@H]1CCCc2c(F)cc(F)cc21 ZINC000423146675 296384840 /nfs/dbraw/zinc/38/48/40/296384840.db2.gz PYBPKVBHTHJHRV-JWSRLSBWSA-N 2 0 310.388 2.684 20 0 DFADRP CC[NH+](CC)[C@H](CNC(=O)C[N@H+]1[C@H](C)CC[C@@H]1C)c1ccco1 ZINC000120277477 195134425 /nfs/dbraw/zinc/13/44/25/195134425.db2.gz AAEGHVCPKCWXTK-OWCLPIDISA-N 2 0 321.465 2.652 20 0 DFADRP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]Cc1c(Cl)cccc1-n1ccnc1 ZINC000423148698 296385094 /nfs/dbraw/zinc/38/50/94/296385094.db2.gz WIAIIWIVGHTOJI-WFASDCNBSA-N 2 0 304.825 2.743 20 0 DFADRP c1ccc2c(c1)SC[C@@H]2C[NH2+][C@@H]1CCOC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000423147133 296385161 /nfs/dbraw/zinc/38/51/61/296385161.db2.gz RCLBCNPGGMIPEP-RKTXRCNFSA-N 2 0 318.486 2.623 20 0 DFADRP C[C@H]1CC[NH2+]CC[C@H]1[NH2+]CCOc1ccc(F)c(Cl)c1 ZINC000423152478 296385334 /nfs/dbraw/zinc/38/53/34/296385334.db2.gz FGFPGYCVHUYJFX-XHDPSFHLSA-N 2 0 300.805 2.836 20 0 DFADRP CC(C)[C@@H]1C[C@H](C[NH2+][C@@H](Cc2ccccc2)[C@H](C)[NH3+])CCO1 ZINC000423157838 296386136 /nfs/dbraw/zinc/38/61/36/296386136.db2.gz WATZWMJIPRIOGG-NQYYFHDYSA-N 2 0 304.478 2.986 20 0 DFADRP CC(C)[C@@H]1C[C@H](C[NH2+][C@@H](Cc2ccccc2)[C@@H](C)[NH3+])CCO1 ZINC000423157840 296386197 /nfs/dbraw/zinc/38/61/97/296386197.db2.gz WATZWMJIPRIOGG-YSHGAJCASA-N 2 0 304.478 2.986 20 0 DFADRP CC(C)[C@@H]1C[C@H](C[NH2+][C@H](Cc2ccccc2)[C@H](C)[NH3+])CCO1 ZINC000423157837 296386304 /nfs/dbraw/zinc/38/63/04/296386304.db2.gz WATZWMJIPRIOGG-AITUJVMLSA-N 2 0 304.478 2.986 20 0 DFADRP C[C@@H]([NH2+]CCOc1ccc(Cl)c(Cl)c1)[C@H]1CC[NH2+]C1 ZINC000423159683 296386491 /nfs/dbraw/zinc/38/64/91/296386491.db2.gz PSDDCLIYMKIDJR-MNOVXSKESA-N 2 0 303.233 2.960 20 0 DFADRP COc1ccc([C@H](CO)C[NH2+][C@@H](C)C[C@@H]2CCCCC[NH2+]2)cc1 ZINC000423171508 296387925 /nfs/dbraw/zinc/38/79/25/296387925.db2.gz ORZWKLAPPVXACC-SZMVWBNQSA-N 2 0 320.477 2.672 20 0 DFADRP OC[C@H](C[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1)c1ccc(F)cc1 ZINC000423174026 296388027 /nfs/dbraw/zinc/38/80/27/296388027.db2.gz AZWKKBHKXSRZKD-JCHJZTRSSA-N 2 0 320.452 2.802 20 0 DFADRP CC(C)COc1ccc([C@H](C)[NH2+]CCCN2CC[NH2+]CC2)cc1 ZINC000423174788 296388183 /nfs/dbraw/zinc/38/81/83/296388183.db2.gz BWONHVZFPOLGOK-KRWDZBQOSA-N 2 0 319.493 2.667 20 0 DFADRP COCC[N@H+](C)CCCC1CC[NH+](CC2CCC(=O)CC2)CC1 ZINC000347762608 285163316 /nfs/dbraw/zinc/16/33/16/285163316.db2.gz ZESLRQAMALFZGC-UHFFFAOYSA-N 2 0 324.509 2.816 20 0 DFADRP Cc1cccc(C[N@@H+](C)CC2CC[NH+](C[C@@H](C)O)CC2)c1F ZINC000294654147 224144817 /nfs/dbraw/zinc/14/48/17/224144817.db2.gz BPNJRMGRBXKZHR-OAHLLOKOSA-N 2 0 308.441 2.659 20 0 DFADRP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1NCC1([NH3+])CCCCC1 ZINC000423181752 296389219 /nfs/dbraw/zinc/38/92/19/296389219.db2.gz PKXJPMMNFHTVMV-FUHWJXTLSA-N 2 0 316.493 2.543 20 0 DFADRP CCSc1ccc([C@@H](C)[NH2+]CCCN2CC[NH2+]CC2)cc1 ZINC000423181773 296389371 /nfs/dbraw/zinc/38/93/71/296389371.db2.gz PNWRYKGOUJIONP-OAHLLOKOSA-N 2 0 307.507 2.745 20 0 DFADRP CC(C)[C@@H]1C[C@@H]([NH2+]CCCN2CC[NH2+]CC2)c2ccccc21 ZINC000423186440 296389721 /nfs/dbraw/zinc/38/97/21/296389721.db2.gz ODWJIHSLSLLQNE-RBUKOAKNSA-N 2 0 301.478 2.756 20 0 DFADRP C[C@@H]1C[C@H](NCC2([NH3+])CCCCC2)C[N@@H+]1Cc1ccccc1 ZINC000423183447 296389730 /nfs/dbraw/zinc/38/97/30/296389730.db2.gz RXXXJHTXHWOAGO-AEFFLSMTSA-N 2 0 301.478 2.901 20 0 DFADRP COC[C@@H](CCC[NH3+])[NH2+]Cc1cc(C)ccc1Br ZINC000423186368 296389761 /nfs/dbraw/zinc/38/97/61/296389761.db2.gz ONHVXRDIRDVMAK-CYBMUJFWSA-N 2 0 315.255 2.601 20 0 DFADRP C[C@H]([NH2+]CCCN1CC[NH2+]CC1)c1cccc(Cl)c1Cl ZINC000423187192 296390044 /nfs/dbraw/zinc/39/00/44/296390044.db2.gz XJNFHTQAWOWDGD-LBPRGKRZSA-N 2 0 316.276 2.939 20 0 DFADRP CC(C)[C@H]1C[C@@H]([NH2+]CCCN2CC[NH2+]CC2)c2ccccc21 ZINC000423186441 296390258 /nfs/dbraw/zinc/39/02/58/296390258.db2.gz ODWJIHSLSLLQNE-RTBURBONSA-N 2 0 301.478 2.756 20 0 DFADRP Clc1ccc([C@H]2CC[C@@H]([NH2+]CCCN3CC[NH2+]CC3)C2)cc1 ZINC000423195222 296390791 /nfs/dbraw/zinc/39/07/91/296390791.db2.gz YYAYSGLSTGMHAC-FUHWJXTLSA-N 2 0 321.896 2.861 20 0 DFADRP Cc1ccc(C)c2c1CCC[C@@H]2[NH2+]CCCN1CC[NH2+]CC1 ZINC000423195507 296391228 /nfs/dbraw/zinc/39/12/28/296391228.db2.gz ZHVPLNUUYRNYQD-SFHVURJKSA-N 2 0 301.478 2.566 20 0 DFADRP c1ccc(C[N@@H+]2C[C@@H]3CCCC[C@H](N[C@@H]4CC[NH2+]C4)[C@H]3C2)cc1 ZINC000423205029 296392337 /nfs/dbraw/zinc/39/23/37/296392337.db2.gz BKGTZWDYTIIKSO-YRPNKDGESA-N 2 0 313.489 2.629 20 0 DFADRP C[C@@H]([NH2+]C1CCC([NH3+])CC1)c1ccc(-n2cncn2)cc1Cl ZINC000423204878 296392342 /nfs/dbraw/zinc/39/23/42/296392342.db2.gz ASISUVCPAKSMKJ-PNESKVBLSA-N 2 0 319.840 2.841 20 0 DFADRP CCCCCOc1ccc([C@@H](C)[NH2+]CCN2CC[NH2+]CC2)cc1 ZINC000423208340 296392574 /nfs/dbraw/zinc/39/25/74/296392574.db2.gz SYFCJQSLYZCMCL-QGZVFWFLSA-N 2 0 319.493 2.811 20 0 DFADRP Fc1ccc([C@H](C[C@@H]2CCOC2)[NH2+]C[C@H]2CCC[NH2+]C2)cc1 ZINC000423210597 296392720 /nfs/dbraw/zinc/39/27/20/296392720.db2.gz KBRJHDWLDGAJRB-MPGHIAIKSA-N 2 0 306.425 2.883 20 0 DFADRP C[C@H]1[C@H](NC2C[C@H]3CC[C@@H](C2)[NH2+]3)CCC[N@@H+]1Cc1ccccc1 ZINC000423209504 296392762 /nfs/dbraw/zinc/39/27/62/296392762.db2.gz GHYGYJQJNQIVPN-BJYDCXRDSA-N 2 0 313.489 2.912 20 0 DFADRP CC[C@H]([NH2+]CCN1CC[NH2+]CC1)c1ccc(Cl)c(Cl)c1 ZINC000423199763 296391913 /nfs/dbraw/zinc/39/19/13/296391913.db2.gz COCBGTMACVNREP-HNNXBMFYSA-N 2 0 316.276 2.939 20 0 DFADRP COCCc1nc(C)c([C@H](C)[NH2+][C@@H](C)[C@H]2CCC[NH2+]C2)s1 ZINC000423217286 296393282 /nfs/dbraw/zinc/39/32/82/296393282.db2.gz PWLUQSDIKBCLMH-OBJOEFQTSA-N 2 0 311.495 2.679 20 0 DFADRP COCCc1nc(C)c([C@H](C)[NH2+][C@H](C)[C@@H]2CCC[NH2+]C2)s1 ZINC000423217285 296393475 /nfs/dbraw/zinc/39/34/75/296393475.db2.gz PWLUQSDIKBCLMH-MBNYWOFBSA-N 2 0 311.495 2.679 20 0 DFADRP C[C@H](Cc1ccccc1)[NH+]1CCC(NC[C@@H]2CCC[NH2+]C2)CC1 ZINC000423218155 296393800 /nfs/dbraw/zinc/39/38/00/296393800.db2.gz VDRVFPICLOCKJL-IEBWSBKVSA-N 2 0 315.505 2.671 20 0 DFADRP O=C(CC[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1)Nc1ccccc1 ZINC000157231064 197171974 /nfs/dbraw/zinc/17/19/74/197171974.db2.gz CPORZCTUCIMYNX-GOSISDBHSA-N 2 0 315.461 2.966 20 0 DFADRP COc1ccc(C[C@H](C)[NH2+]C2CCC([NH3+])CC2)c(C)c1OC ZINC000423228976 296394572 /nfs/dbraw/zinc/39/45/72/296394572.db2.gz GEHFICHEJABHOC-JQRITLKVSA-N 2 0 306.450 2.803 20 0 DFADRP CC(C)c1ccc([C@@H]([NH3+])CN[C@H](C)c2ccc(=O)[nH]n2)cc1 ZINC000423243775 296396413 /nfs/dbraw/zinc/39/64/13/296396413.db2.gz NFHCESQLXRUCFZ-DOMZBBRYSA-N 2 0 300.406 2.656 20 0 DFADRP COc1ccc2c(c1)[C@@H]([NH2+]CC[C@@H]1CCC[NH2+]C1)CCCO2 ZINC000423255140 296397393 /nfs/dbraw/zinc/39/73/93/296397393.db2.gz AWFNINXPJSOBKM-YOEHRIQHSA-N 2 0 304.434 2.888 20 0 DFADRP COCCc1nc(C)c([C@H](C)[NH2+]CC[C@@H]2CCC[NH2+]C2)s1 ZINC000423259595 296397761 /nfs/dbraw/zinc/39/77/61/296397761.db2.gz OLOUGLDOMMVDOA-JSGCOSHPSA-N 2 0 311.495 2.681 20 0 DFADRP C[C@H]([NH2+]CC[C@H]1CCC[NH2+]C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000423261227 296397887 /nfs/dbraw/zinc/39/78/87/296397887.db2.gz RUXCKKGAEVMOAW-NLWGTHIKSA-N 2 0 315.505 2.876 20 0 DFADRP C[C@H](CCC1CCCCC1)[NH2+]Cc1cn([C@H]2CC[NH2+]C2)nn1 ZINC000629406485 399594766 /nfs/dbraw/zinc/59/47/66/399594766.db2.gz WQTMOKNGDOXCGL-PBHICJAKSA-N 2 0 305.470 2.651 20 0 DFADRP CCO[C@@H]1C[C@H]([NH2+][C@@H]2CCCC[C@@H]2C[NH3+])[C@@H]1Oc1ccccc1 ZINC000423267629 296398656 /nfs/dbraw/zinc/39/86/56/296398656.db2.gz CZCHYASZAWKCLU-FTWQHDNSSA-N 2 0 318.461 2.719 20 0 DFADRP C[C@H]([NH2+][C@H]1CCC[C@H]1C[NH3+])c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000423269081 296398770 /nfs/dbraw/zinc/39/87/70/296398770.db2.gz GZYHSZCBHPFQAR-WHOFXGATSA-N 2 0 301.434 2.694 20 0 DFADRP CC[C@H]([NH2+]CC[C@H]1CCC[NH2+]C1)c1ccc(C(=O)OC)cc1 ZINC000423268780 296398843 /nfs/dbraw/zinc/39/88/43/296398843.db2.gz GLTLGIYHYCYAJZ-PBHICJAKSA-N 2 0 304.434 2.904 20 0 DFADRP CCOC(=O)[C@@H]1CC[C@H]([NH2+]C[C@H](C)C[NH2+]C)c2ccccc21 ZINC000423285378 296400830 /nfs/dbraw/zinc/40/08/30/296400830.db2.gz ZLNLMBFZONEKJM-XYPHTWIQSA-N 2 0 304.434 2.613 20 0 DFADRP CC(C)NC(=O)Nc1ccc([C@H](C)[NH2+][C@@H]2CCC[C@H]2C[NH3+])cc1 ZINC000423278025 296399814 /nfs/dbraw/zinc/39/98/14/296399814.db2.gz QJMDCBGVNJPYHZ-JLJPHGGASA-N 2 0 318.465 2.995 20 0 DFADRP COC(=O)C[C@@H]1CC[C@@H]([NH2+]CC[NH2+]C2CCCCCC2)[C@H]1C ZINC000423276916 296399945 /nfs/dbraw/zinc/39/99/45/296399945.db2.gz NMNRFVZAGQBICJ-YQQAZPJKSA-N 2 0 310.482 2.866 20 0 DFADRP CCN(CC)C(=O)Nc1ccc([C@@H](C)[NH2+]C[C@H](C)C[NH3+])cc1 ZINC000423296111 296402028 /nfs/dbraw/zinc/40/20/28/296402028.db2.gz GDNRVFHEWSMVPI-ZIAGYGMSSA-N 2 0 306.454 2.806 20 0 DFADRP C[C@@H]([NH3+])c1ccc(C[NH2+]C2CCN(Cc3ccccn3)CC2)cc1 ZINC000423294143 296401770 /nfs/dbraw/zinc/40/17/70/296401770.db2.gz TUYLSNGTPBQKAK-MRXNPFEDSA-N 2 0 324.472 2.856 20 0 DFADRP [NH3+][C@@H](CC1CCCCC1)C(=O)NCCC[NH+]1CCCCCC1 ZINC000423309770 296402858 /nfs/dbraw/zinc/40/28/58/296402858.db2.gz QQVPDHVCGLLGPB-KRWDZBQOSA-N 2 0 309.498 2.666 20 0 DFADRP CC[NH+](CC)CCN(Cc1cccs1)C(=O)CC1(C[NH3+])CC1 ZINC000423310168 296402909 /nfs/dbraw/zinc/40/29/09/296402909.db2.gz RGPSMRDZTCYAPQ-UHFFFAOYSA-N 2 0 323.506 2.548 20 0 DFADRP C[C@H]([NH3+])c1ccc(C(=O)NC[C@@H](c2cccs2)[NH+](C)C)cc1 ZINC000423314315 296403288 /nfs/dbraw/zinc/40/32/88/296403288.db2.gz YBFCRJQFQBLMEF-WFASDCNBSA-N 2 0 317.458 2.801 20 0 DFADRP C[C@@H]([NH3+])c1ccc(C(=O)NCCC[NH+]2CCCCCC2)cc1 ZINC000423316146 296403306 /nfs/dbraw/zinc/40/33/06/296403306.db2.gz ZOYQDQOQEBKCCL-OAHLLOKOSA-N 2 0 303.450 2.702 20 0 DFADRP [NH3+]C1C[C@H]2CCC[C@@H](C1)C2[NH2+][C@H]1CCO[C@@H](C(F)(F)F)C1 ZINC000423319507 296403645 /nfs/dbraw/zinc/40/36/45/296403645.db2.gz ZZJFGSCSDSKWFO-UXAWBVGHSA-N 2 0 306.372 2.592 20 0 DFADRP C[C@H]([NH3+])c1ccc(C(=O)NCc2cccc(C[NH+](C)C)c2)cc1 ZINC000423323893 296404328 /nfs/dbraw/zinc/40/43/28/296404328.db2.gz PDEVFGYBISDNCN-AWEZNQCLSA-N 2 0 311.429 2.698 20 0 DFADRP O[C@H]1C[C@@H](C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC000624218206 399601556 /nfs/dbraw/zinc/60/15/56/399601556.db2.gz VWXMAWHMZXCOFX-HWHMVJPJSA-N 2 0 300.446 2.543 20 0 DFADRP CC[NH+](CC)[C@H](CNC(=O)[C@@H]1C[C@H](C)CC[NH2+]1)c1ccsc1 ZINC000423332791 296405717 /nfs/dbraw/zinc/40/57/17/296405717.db2.gz RDGZLDIUMTYBOK-VNQPRFMTSA-N 2 0 323.506 2.635 20 0 DFADRP CC(C)[C@H](C(=O)Nc1ccc(CC[NH+]2CCCC2)cc1)[C@@H](C)[NH3+] ZINC000423352375 296407633 /nfs/dbraw/zinc/40/76/33/296407633.db2.gz KIWRKIAEMYCHFX-QAPCUYQASA-N 2 0 317.477 2.883 20 0 DFADRP Fc1ccc([C@H](C[C@H]2CCCO2)[NH2+]CC2=CC[NH2+]CC2)cc1 ZINC000423357315 296408143 /nfs/dbraw/zinc/40/81/43/296408143.db2.gz SFISSELZIMPNAN-MSOLQXFVSA-N 2 0 304.409 2.945 20 0 DFADRP COCCOc1ccc([C@H](C)[NH2+][C@@H]2CCC[C@H]([NH3+])C2)cc1OC ZINC000423366139 296408985 /nfs/dbraw/zinc/40/89/85/296408985.db2.gz BOGFTKDMGUJFFJ-CWRNSKLLSA-N 2 0 322.449 2.641 20 0 DFADRP Cc1ccc([C@H](C)[NH2+]C[C@@H](N2CC[NH2+]CC2)C(F)(F)F)s1 ZINC000423381051 296410539 /nfs/dbraw/zinc/41/05/39/296410539.db2.gz HPVHSMDNZBOTIO-WCQYABFASA-N 2 0 321.412 2.543 20 0 DFADRP COc1cc([C@H](C)[NH2+][C@@H]2CC[NH2+]C[C@H]2C)ccc1OC(F)F ZINC000423397665 296412276 /nfs/dbraw/zinc/41/22/76/296412276.db2.gz OINHDVWCFGVBIT-NTZNESFSSA-N 2 0 314.376 2.945 20 0 DFADRP CC(C)[NH+]1CCN(CCC[N@H+]2C[C@@H](C)C(F)(F)[C@@H](C)C2)CC1 ZINC000625653470 399606049 /nfs/dbraw/zinc/60/60/49/399606049.db2.gz KPBLGWFJEKMRES-IYBDPMFKSA-N 2 0 317.468 2.626 20 0 DFADRP COc1cc([C@H](C)[NH2+][C@H]2CC[NH2+]C[C@H]2C)ccc1OC(F)F ZINC000423397663 296412455 /nfs/dbraw/zinc/41/24/55/296412455.db2.gz OINHDVWCFGVBIT-MDZLAQPJSA-N 2 0 314.376 2.945 20 0 DFADRP COc1ccc([C@H](C)[C@H](C)[NH2+][C@@H]2CC[NH2+]C[C@H]2C)cc1OC ZINC000423394637 296411965 /nfs/dbraw/zinc/41/19/65/296411965.db2.gz MVNABYGWUVANDW-HGTKMLMNSA-N 2 0 306.450 2.783 20 0 DFADRP CC[C@H]([NH2+]C[C@@H]1C[NH2+]C[C@@H]1O)c1ccc(Cl)c(Cl)c1 ZINC000423409406 296413888 /nfs/dbraw/zinc/41/38/88/296413888.db2.gz PYMPAYNTMYUJDD-BPNCWPANSA-N 2 0 303.233 2.614 20 0 DFADRP COC(=O)c1cc(C[NH2+]CCCC[N@@H+]2CCCC[C@H]2C)cn1C ZINC000347916887 285244011 /nfs/dbraw/zinc/24/40/11/285244011.db2.gz KXKPBHZOQZLLBY-OAHLLOKOSA-N 2 0 321.465 2.556 20 0 DFADRP C/C=C/COc1ccc(CC[C@H](C)[NH2+]C2[C@H]3C[NH2+]C[C@@H]23)cc1 ZINC000423418786 296414926 /nfs/dbraw/zinc/41/49/26/296414926.db2.gz AFLMHCCCZKMBJK-CSZNPGHTSA-N 2 0 300.446 2.770 20 0 DFADRP CCc1ccc([C@@H](C)[NH2+]CC(C)(C)N2CC[NH+](C)CC2)s1 ZINC000041203177 542435021 /nfs/dbraw/zinc/43/50/21/542435021.db2.gz DINUEWFZMIIDPE-CQSZACIVSA-N 2 0 309.523 2.987 20 0 DFADRP [NH3+][C@@H](CC1CCCCC1)C(=O)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000423430355 296416184 /nfs/dbraw/zinc/41/61/84/296416184.db2.gz UHMITFNLTFECFS-MSOLQXFVSA-N 2 0 321.509 2.761 20 0 DFADRP COC(=O)CCC[C@H]1CCC[C@@H]([NH2+][C@@H]2C[C@H]2C2CC[NH2+]CC2)C1 ZINC000423433556 296416368 /nfs/dbraw/zinc/41/63/68/296416368.db2.gz JZVMRCJEFCJMOD-NRSFXHEJSA-N 2 0 322.493 2.866 20 0 DFADRP C[C@H](CCCO)C[NH2+][C@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000294810373 224235702 /nfs/dbraw/zinc/23/57/02/224235702.db2.gz NUDCYTFEKJNZNO-LMMKCTJWSA-N 2 0 304.478 2.895 20 0 DFADRP CCC[C@@H](C(=O)N1CCC(CCC[NH+]2CCCC2)CC1)[NH+](C)C ZINC000120383368 195156081 /nfs/dbraw/zinc/15/60/81/195156081.db2.gz HBYHLHZCQWXSRR-SFHVURJKSA-N 2 0 323.525 2.831 20 0 DFADRP C[C@@H](CCC[NH3+])[NH2+]C1CCC2(CC1)c1ccccc1NC2=O ZINC000423454193 296417939 /nfs/dbraw/zinc/41/79/39/296417939.db2.gz LGWUETHDXNNWJR-VNSJNIRKSA-N 2 0 301.434 2.536 20 0 DFADRP Cn1ccc([C@H]([NH2+]CCC[C@H]2CCC[NH2+]2)c2ccc(F)cc2)n1 ZINC000423478805 296420020 /nfs/dbraw/zinc/42/00/20/296420020.db2.gz LPRRGCCHIBPCPA-SJLPKXTDSA-N 2 0 316.424 2.770 20 0 DFADRP Cn1ccc([C@@H]([NH2+]CCC[C@H]2CCC[NH2+]2)c2ccc(F)cc2)n1 ZINC000423478803 296420029 /nfs/dbraw/zinc/42/00/29/296420029.db2.gz LPRRGCCHIBPCPA-AEFFLSMTSA-N 2 0 316.424 2.770 20 0 DFADRP COc1cc2c(cc1OC)[C@H]([NH2+]CCC[C@@H]1CCC[NH2+]1)CC2 ZINC000423481356 296420581 /nfs/dbraw/zinc/42/05/81/296420581.db2.gz OFNVROBZDRWXFD-GOEBONIOSA-N 2 0 304.434 2.813 20 0 DFADRP O=C1Nc2ccccc2C12CCC([NH2+]CCC[NH2+]C1CC1)CC2 ZINC000423524223 296425882 /nfs/dbraw/zinc/42/58/82/296425882.db2.gz JAZHOSLFRFRXGM-UHFFFAOYSA-N 2 0 313.445 2.551 20 0 DFADRP C[C@H]([NH2+]CCC1=CC[NH2+]CC1)c1ccc(OCC[NH+](C)C)cc1 ZINC000423534780 296427570 /nfs/dbraw/zinc/42/75/70/296427570.db2.gz AXIAMGDALUZEIF-INIZCTEOSA-N 3 0 317.477 2.587 20 0 DFADRP C[C@H](CC1CCOCC1)[NH2+]CC1([NH3+])C2CC3CC(C2)CC1C3 ZINC000423534221 296427189 /nfs/dbraw/zinc/42/71/89/296427189.db2.gz ZQXNSMVXSICIIE-OCUVBNDUSA-N 2 0 306.494 2.935 20 0 DFADRP COc1cc2c(cc1F)CC[C@@H]2[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000423551839 296429082 /nfs/dbraw/zinc/42/90/82/296429082.db2.gz UHWVOFNHNDXCBM-OEUWWYETSA-N 2 0 304.409 2.799 20 0 DFADRP COc1cccc(C[C@H]([NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)C2CC2)c1 ZINC000423556302 296429347 /nfs/dbraw/zinc/42/93/47/296429347.db2.gz YXCFCKLTKZHLKD-GNBUJSLZSA-N 2 0 314.473 2.994 20 0 DFADRP COCC[C@@H](C)[NH2+]CCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000271572794 209023158 /nfs/dbraw/zinc/02/31/58/209023158.db2.gz AIOISYXXHDEARH-QGZVFWFLSA-N 2 0 320.477 2.718 20 0 DFADRP C[C@H]([NH2+]C[C@]1(C)CCOC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000347991093 285287111 /nfs/dbraw/zinc/28/71/11/285287111.db2.gz BNVGWIOZVCZUGX-UHOSZYNNSA-N 2 0 302.462 2.913 20 0 DFADRP C[C@@H](C[NH2+][C@@H](C)c1cccc(Cl)c1)CN1CC[NH+](C)CC1 ZINC000120940781 195268406 /nfs/dbraw/zinc/26/84/06/195268406.db2.gz UXNAQNRCFSQYQQ-GJZGRUSLSA-N 2 0 309.885 2.874 20 0 DFADRP C[C@H]1[NH2+]CCC[C@H]1C(=O)Nc1cccc(CC[NH+]2CCCC2)c1 ZINC000289773077 221215545 /nfs/dbraw/zinc/21/55/45/221215545.db2.gz IRKAZFUHTLVZFP-CRAIPNDOSA-N 2 0 315.461 2.652 20 0 DFADRP Cc1cnccc1C[NH+]1CCC(C[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000294882944 224284315 /nfs/dbraw/zinc/28/43/15/224284315.db2.gz QXDVPGMDNDFNQI-IAGOWNOFSA-N 2 0 317.477 2.711 20 0 DFADRP CCC[C@H](C)CCC[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000629517011 399632488 /nfs/dbraw/zinc/63/24/88/399632488.db2.gz XWQJFZZPHVLPCO-BZSNNMDCSA-N 2 0 323.525 2.783 20 0 DFADRP CO[C@H](C[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1)c1ccc(F)cc1 ZINC000629516606 399632575 /nfs/dbraw/zinc/63/25/75/399632575.db2.gz LNTCBDQXTAREPJ-BPQIPLTHSA-N 2 0 306.425 2.977 20 0 DFADRP C[C@@H]([NH2+]C(C)(C)CNC(=O)[C@@H]1CCC[NH2+][C@@H]1C)c1ccccc1 ZINC000289860411 221275021 /nfs/dbraw/zinc/27/50/21/221275021.db2.gz LCNIASWXWUMKOH-BFYDXBDKSA-N 2 0 317.477 2.620 20 0 DFADRP C[C@@H]([NH2+]CC1([NH3+])CCOCC1)C1(c2ccccc2)CCCC1 ZINC000629525566 399636310 /nfs/dbraw/zinc/63/63/10/399636310.db2.gz WJAAENXDNQNHPC-MRXNPFEDSA-N 2 0 302.462 2.984 20 0 DFADRP C[NH2+]CCOCC[NH2+][C@@H]1CCSc2ccc(Cl)cc21 ZINC000629528888 399636957 /nfs/dbraw/zinc/63/69/57/399636957.db2.gz MJQIYKDFDGKHKA-CYBMUJFWSA-N 2 0 300.855 2.703 20 0 DFADRP CC[C@H]1[NH2+]CC[C@@H]1C(=O)Nc1cccc(C[NH+]2CCCCC2)c1 ZINC000289967556 221348685 /nfs/dbraw/zinc/34/86/85/221348685.db2.gz NERKVTNYCXUGTB-ZWKOTPCHSA-N 2 0 315.461 2.999 20 0 DFADRP C[C@@H]([NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1)c1ccc(Br)nc1 ZINC000289974202 221353809 /nfs/dbraw/zinc/35/38/09/221353809.db2.gz XNHLZRBUVQGASI-NEPJUHHUSA-N 2 0 324.266 2.979 20 0 DFADRP C[C@H]1CCC[C@H]([NH+]2CCC([NH2+]CCN(C)CC(F)F)CC2)C1 ZINC000624324064 399638596 /nfs/dbraw/zinc/63/85/96/399638596.db2.gz FQECNZJQCFLSCQ-HOCLYGCPSA-N 2 0 317.468 2.816 20 0 DFADRP [NH3+][C@@H]1CCO[C@H]([C@H]2CCC[N@H+](Cc3cc(O)ccc3Cl)C2)C1 ZINC000629534890 399638837 /nfs/dbraw/zinc/63/88/37/399638837.db2.gz BQPZQADKEGYXDL-QEORTHHSSA-N 2 0 324.852 2.764 20 0 DFADRP C[C@H]1CCCC[C@H]1[NH+]1CCC([NH2+]CCN(C)CC(F)F)CC1 ZINC000624324107 399638929 /nfs/dbraw/zinc/63/89/29/399638929.db2.gz FYJOLTCXRYQZKP-GOEBONIOSA-N 2 0 317.468 2.816 20 0 DFADRP C[C@@H]1CSC[C@@H]1[NH2+]C[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000294946834 224331433 /nfs/dbraw/zinc/33/14/33/224331433.db2.gz FEHNVBDVAYPTKQ-NJAFHUGGSA-N 2 0 304.503 2.892 20 0 DFADRP C[C@@H]([NH2+]CCOCCC[NH3+])c1csc(-c2ccccc2)n1 ZINC000629536535 399640213 /nfs/dbraw/zinc/64/02/13/399640213.db2.gz HVHQWHANKRPRET-CYBMUJFWSA-N 2 0 305.447 2.826 20 0 DFADRP C[C@H]([NH2+]CCOCCC[NH3+])c1csc(-c2ccccc2F)n1 ZINC000629540634 399641363 /nfs/dbraw/zinc/64/13/63/399641363.db2.gz VZQUZDZNMYPCJI-LBPRGKRZSA-N 2 0 323.437 2.965 20 0 DFADRP C[C@@H](Cc1ccccc1)[NH+]1CCC(N[C@@H]2CC[C@@H](C)[NH2+]C2)CC1 ZINC000629541978 399641515 /nfs/dbraw/zinc/64/15/15/399641515.db2.gz VYRYERALYGXELE-FUHIMQAGSA-N 2 0 315.505 2.812 20 0 DFADRP [NH3+][C@@H]1CCO[C@@H](C2CC[NH+](Cc3cc(O)ccc3Cl)CC2)C1 ZINC000629540829 399641537 /nfs/dbraw/zinc/64/15/37/399641537.db2.gz SWKIGSNYBJCDJT-RHSMWYFYSA-N 2 0 324.852 2.764 20 0 DFADRP CC1(C)[C@H](c2ccc(F)cc2)CC[N@@H+]1C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000629576381 399653406 /nfs/dbraw/zinc/65/34/06/399653406.db2.gz UIMOQFAMMZKVNX-IRXDYDNUSA-N 2 0 318.436 2.915 20 0 DFADRP O[C@@H](C[NH2+][C@H]1C[C@H](c2cccc(Cl)c2)C1)C[NH+]1CCCC1 ZINC000629576683 399653530 /nfs/dbraw/zinc/65/35/30/399653530.db2.gz BRWMQBAOQGAIQX-XIRDDKMYSA-N 2 0 308.853 2.632 20 0 DFADRP O[C@@H](C[NH2+]CCCCCc1ccc(F)cc1)C[NH+]1CCCC1 ZINC000629577317 399653864 /nfs/dbraw/zinc/65/38/64/399653864.db2.gz RFBFWZNWAVRJDY-SFHVURJKSA-N 2 0 308.441 2.585 20 0 DFADRP CCCC[N@H+](C)CC1CC[NH+](Cc2cnc3ccnn3c2)CC1 ZINC000624366572 399654886 /nfs/dbraw/zinc/65/48/86/399654886.db2.gz VJJWHOSTOKBNBZ-UHFFFAOYSA-N 2 0 315.465 2.673 20 0 DFADRP c1ccc(SCC[NH+]2CCC(CO[C@H]3CC[NH2+]C3)CC2)cc1 ZINC000629590449 399657813 /nfs/dbraw/zinc/65/78/13/399657813.db2.gz AXWNLCLAKCTPCK-KRWDZBQOSA-N 2 0 320.502 2.869 20 0 DFADRP FC1(F)CCCC[C@H]1C[NH+]1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000629591209 399658127 /nfs/dbraw/zinc/65/81/27/399658127.db2.gz DFIWCXLOOGQMDD-HOTGVXAUSA-N 2 0 316.436 2.902 20 0 DFADRP CC(C)(C)[N@@H+]1CC[C@@H](NC(=O)[C@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC000617347386 399672561 /nfs/dbraw/zinc/67/25/61/399672561.db2.gz LMCLSNPEPIMQJG-JKSUJKDBSA-N 2 0 321.509 2.630 20 0 DFADRP C[C@H]1C[C@H]1C[NH+]1CCC(c2cc(C3CC[NH2+]CC3)[nH]n2)CC1 ZINC000629547323 399643792 /nfs/dbraw/zinc/64/37/92/399643792.db2.gz MJARIHGHPOVKNA-BBRMVZONSA-N 2 0 302.466 2.712 20 0 DFADRP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCC[N@@H+]2Cc2cc(O)ccc2Cl)C1 ZINC000629549100 399644325 /nfs/dbraw/zinc/64/43/25/399644325.db2.gz QDWUYVSBPHUZHF-XOKHGSTOSA-N 2 0 324.852 2.906 20 0 DFADRP FC(F)(F)C1(C[NH2+][C@@H]2CCOC[C@@H]2[C@@H]2CCC[NH2+]2)CCCC1 ZINC000629550583 399645064 /nfs/dbraw/zinc/64/50/64/399645064.db2.gz NXUHKZQFRDHDGL-HZSPNIEDSA-N 2 0 320.399 2.856 20 0 DFADRP CC(C)CC[C@@H]1CC[C@H]([NH2+]Cc2cn([C@H]3CC[NH2+]C3)nn2)C1 ZINC000629549769 399645925 /nfs/dbraw/zinc/64/59/25/399645925.db2.gz LHAQFLOMLWURJR-VYDXJSESSA-N 2 0 305.470 2.507 20 0 DFADRP COC[C@@H](CCC[NH3+])[NH2+]CCc1c[nH]c2c1cccc2Cl ZINC000629556209 399648400 /nfs/dbraw/zinc/64/84/00/399648400.db2.gz NYJXTTKTLNQOAW-CYBMUJFWSA-N 2 0 309.841 2.707 20 0 DFADRP COc1ccc([C@@H]([NH2+][C@@H](C)C2CC[NH+](C)CC2)C2CC2)cn1 ZINC000624345562 399649288 /nfs/dbraw/zinc/64/92/88/399649288.db2.gz MGLFHRZAURAMBN-UGSOOPFHSA-N 2 0 303.450 2.861 20 0 DFADRP Cc1nc(C)c(CN2CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C2)s1 ZINC000629564086 399651184 /nfs/dbraw/zinc/65/11/84/399651184.db2.gz RJSDGNVJQJZBQJ-WDEREUQCSA-N 2 0 307.385 2.719 20 0 DFADRP C[N@H+](CCOCC[NH3+])Cc1ccc(-c2ccc(F)cc2)s1 ZINC000629661585 399679746 /nfs/dbraw/zinc/67/97/46/399679746.db2.gz CWYHPSURIJTAQW-UHFFFAOYSA-N 2 0 308.422 2.961 20 0 DFADRP C[N@H+](CCOCC[NH3+])Cc1ccc(-c2cccc(F)c2)s1 ZINC000629662191 399680846 /nfs/dbraw/zinc/68/08/46/399680846.db2.gz GCBNFSQPAVLEIV-UHFFFAOYSA-N 2 0 308.422 2.961 20 0 DFADRP Cc1ccc(C[N@@H+]2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)c(-c2cnn(C)c2)c1 ZINC000629666047 399682968 /nfs/dbraw/zinc/68/29/68/399682968.db2.gz MGDIGQNSCNJKOD-BGYRXZFFSA-N 2 0 324.472 2.827 20 0 DFADRP COc1ccc(C[C@H](C)C[N@@H+]2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)cc1F ZINC000629669891 399684177 /nfs/dbraw/zinc/68/41/77/399684177.db2.gz YVHCFIHYXVDAEG-ZOCIIQOWSA-N 2 0 320.452 2.944 20 0 DFADRP C[NH+](C)CCn1cc(-c2cc(C[NH+]3CCCC3)ccc2F)cn1 ZINC000629702657 399695211 /nfs/dbraw/zinc/69/52/11/399695211.db2.gz QNCNHGIXRBSJDL-UHFFFAOYSA-N 2 0 316.424 2.847 20 0 DFADRP CCC[NH+](CCC)CCCC(=O)N[C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000617352554 399675370 /nfs/dbraw/zinc/67/53/70/399675370.db2.gz ZAQBQURJRVMUAH-MRXNPFEDSA-N 2 0 311.514 2.878 20 0 DFADRP FC(F)(F)[C@H]1C[C@@H]([NH2+]C2CC[NH+](CC3CC3)CC2)CCO1 ZINC000348072291 285330498 /nfs/dbraw/zinc/33/04/98/285330498.db2.gz AFRTWMBVUFZDIZ-UONOGXRCSA-N 2 0 306.372 2.560 20 0 DFADRP Cc1cc(-c2ccccc2C[NH+]2CCN(C)CC2)ccc1C[NH3+] ZINC000629735370 399707427 /nfs/dbraw/zinc/70/74/27/399707427.db2.gz TUGNGZJACKQBRB-UHFFFAOYSA-N 2 0 309.457 2.868 20 0 DFADRP C[C@@H]([NH3+])Cc1ccc(-c2ccccc2C[NH+]2CCN(C)CC2)cc1 ZINC000629734919 399707591 /nfs/dbraw/zinc/70/75/91/399707591.db2.gz AJFVTRUETVXYTP-QGZVFWFLSA-N 2 0 323.484 2.991 20 0 DFADRP C[NH2+][C@@H](CO)c1cccc(-c2cc(C[NH+](C)C)ccc2F)c1 ZINC000629737800 399708689 /nfs/dbraw/zinc/70/86/89/399708689.db2.gz ZQVNKSLHJLSFNF-SFHVURJKSA-N 2 0 302.393 2.807 20 0 DFADRP Cc1c(C[C@H](C[NH3+])CO)cccc1-c1ccc([C@H](C)[NH3+])c(F)c1 ZINC000629737991 399708954 /nfs/dbraw/zinc/70/89/54/399708954.db2.gz OUGRSUZOBXMBQT-UONOGXRCSA-N 2 0 316.420 2.931 20 0 DFADRP COCC[C@H](C)[NH+]1CCC(CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000088546712 542527419 /nfs/dbraw/zinc/52/74/19/542527419.db2.gz UPEFYFIYWOXLNH-YESZJQIVSA-N 2 0 312.498 2.623 20 0 DFADRP COCC[C@H](C)[NH+]1CCC(CC[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000088546713 542527950 /nfs/dbraw/zinc/52/79/50/542527950.db2.gz UPEFYFIYWOXLNH-ULQDDVLXSA-N 2 0 312.498 2.623 20 0 DFADRP CCC[NH+]1CCC(N[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)CC1 ZINC000088670593 542528953 /nfs/dbraw/zinc/52/89/53/542528953.db2.gz SOIDRABGOANWHZ-FXAWDEMLSA-N 2 0 315.505 2.971 20 0 DFADRP CC(C)C[NH+]1CCC([NH2+][C@@H]2CCO[C@@H](C(F)(F)F)C2)CC1 ZINC000348082857 285335205 /nfs/dbraw/zinc/33/52/05/285335205.db2.gz LZFWFSUNFJDMCG-ZIAGYGMSSA-N 2 0 308.388 2.806 20 0 DFADRP CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)[C@@H](C(C)C)[C@@H](C)[NH3+] ZINC000423749577 296443299 /nfs/dbraw/zinc/44/32/99/296443299.db2.gz WGGALAITJKWZDK-QAPCUYQASA-N 2 0 319.493 2.716 20 0 DFADRP COc1cc(C[NH2+]C2CCC(C[NH+](C)C)CC2)cc(OC)c1O ZINC000348098047 285346579 /nfs/dbraw/zinc/34/65/79/285346579.db2.gz RHZTWIZWGMLFSA-UHFFFAOYSA-N 2 0 322.449 2.619 20 0 DFADRP CC[NH+]1CCC(CC[NH2+][C@@H]2CCO[C@H](C(F)(F)F)C2)CC1 ZINC000348100646 285348902 /nfs/dbraw/zinc/34/89/02/285348902.db2.gz FPDKOCDNSLHTPV-KGLIPLIRSA-N 2 0 308.388 2.808 20 0 DFADRP CC[C@@H]([NH2+]C[C@H](C)CN1CC[NH+](C)CC1)c1ccccc1OC ZINC000121042205 195285652 /nfs/dbraw/zinc/28/56/52/195285652.db2.gz ZIYRRLOJFYSGML-FUHWJXTLSA-N 2 0 319.493 2.619 20 0 DFADRP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)C/C=C/c2ccc(F)cc2)CC1 ZINC000121133140 195297075 /nfs/dbraw/zinc/29/70/75/195297075.db2.gz MBVFIOHBHMTDOX-QDLOVBKTSA-N 2 0 320.452 2.864 20 0 DFADRP C[C@@H]1CCCC[C@H]1N(C)C(=O)C[NH+]1CCC(CC[NH+](C)C)CC1 ZINC000121618746 195318035 /nfs/dbraw/zinc/31/80/35/195318035.db2.gz KHVILFJJHAHEPP-SJLPKXTDSA-N 2 0 323.525 2.687 20 0 DFADRP Cc1cc(C[NH+](C)C)cc(NC(=O)[C@@H]2C[C@@H]3CCCC[C@@H]3[NH2+]2)c1 ZINC000423788462 296447973 /nfs/dbraw/zinc/44/79/73/296447973.db2.gz SHGUNBCBKFXIDQ-SZMVWBNQSA-N 2 0 315.461 2.916 20 0 DFADRP CC[C@@]1(C(=O)N2CCC(CCC[NH+]3CCCC3)CC2)CCC[NH2+]1 ZINC000423799442 296449941 /nfs/dbraw/zinc/44/99/41/296449941.db2.gz PXIJAYWKIIZLAB-IBGZPJMESA-N 2 0 321.509 2.633 20 0 DFADRP CC[N@H+](CCCc1nc(C)no1)Cc1ccc(C[NH+](C)C)cc1 ZINC000626062808 399741097 /nfs/dbraw/zinc/74/10/97/399741097.db2.gz HJAZXSBOIMOMJI-UHFFFAOYSA-N 2 0 316.449 2.894 20 0 DFADRP COc1ccc2c(c1)C[C@H]([NH2+]C1CC[NH+](CC(C)C)CC1)CO2 ZINC000295819173 533272352 /nfs/dbraw/zinc/27/23/52/533272352.db2.gz DGZGZWUPXLQDDH-KRWDZBQOSA-N 2 0 318.461 2.709 20 0 DFADRP C[C@@H]([NH3+])[C@H](C)C(=O)Nc1cccc(CC[NH+]2CCC(C)CC2)c1 ZINC000423847403 296455936 /nfs/dbraw/zinc/45/59/36/296455936.db2.gz OQJSLUNILOBAEB-JKSUJKDBSA-N 2 0 317.477 2.883 20 0 DFADRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@@H]1CCc2c1cc(F)cc2F ZINC000121528858 542585303 /nfs/dbraw/zinc/58/53/03/542585303.db2.gz DLHFASCDZJPJHB-CXAGYDPISA-N 2 0 312.404 2.899 20 0 DFADRP CCCc1ccc(C[NH2+]C[C@H](C)N2CC[NH+](CC)CC2)s1 ZINC000621328910 399756022 /nfs/dbraw/zinc/75/60/22/399756022.db2.gz IHKVUESNFMKDLP-HNNXBMFYSA-N 2 0 309.523 2.816 20 0 DFADRP CC1(C)[C@@H]([NH3+])C[C@@H]1[NH2+]CCOc1ccc(OC(F)(F)F)cc1 ZINC000603432617 399774890 /nfs/dbraw/zinc/77/48/90/399774890.db2.gz JKGLJXASADUORW-STQMWFEESA-N 2 0 318.339 2.679 20 0 DFADRP CC(C)[C@H](C[NH2+]C[C@@H]1C[C@@H]1c1ccccc1)N1CC[NH+](C)CC1 ZINC000348256545 285453578 /nfs/dbraw/zinc/45/35/78/285453578.db2.gz HYSOAOJUDVPXJL-ZCNNSNEGSA-N 2 0 315.505 2.652 20 0 DFADRP C[C@@H](C[N@H+](CCO)C1CCN(C)CC1)c1cccc(Cl)c1 ZINC000275757113 130379427 /nfs/dbraw/zinc/37/94/27/130379427.db2.gz UCIVVWDXEBOVIH-AWEZNQCLSA-N 2 0 310.869 2.832 20 0 DFADRP COc1cc2c(cc1C[NH2+][C@H](C)C1CC[NH+](C)CC1)O[C@H](C)C2 ZINC000132112715 542640907 /nfs/dbraw/zinc/64/09/07/542640907.db2.gz IQJYEQKVYZAWRZ-ZIAGYGMSSA-N 2 0 318.461 2.839 20 0 DFADRP C[N@H+](CC(=O)N1CCC(CCC[NH+]2CCCC2)CC1)C1CCC1 ZINC000629973369 399776839 /nfs/dbraw/zinc/77/68/39/399776839.db2.gz FHKXHYAVPBJOTQ-UHFFFAOYSA-N 2 0 321.509 2.585 20 0 DFADRP C/C=C/C[C@@H]1CCC[N@H+](CC(=O)NC2CC[NH+](C(C)C)CC2)C1 ZINC000626162674 399781412 /nfs/dbraw/zinc/78/14/12/399781412.db2.gz XPQXQYBRTHZFJJ-LAQIPUCWSA-N 2 0 321.509 2.654 20 0 DFADRP C[C@H]([NH2+]C[C@@H]1CCN(c2ccccc2)C1)C1CC[NH+](C)CC1 ZINC000152582786 542678239 /nfs/dbraw/zinc/67/82/39/542678239.db2.gz KNPXEOSDCYRJTE-IRXDYDNUSA-N 2 0 301.478 2.833 20 0 DFADRP COc1ccncc1C[N@@H+]1CC[C@@H](CNc2cccc(C)[nH+]2)C1 ZINC000287812510 131301490 /nfs/dbraw/zinc/30/14/90/131301490.db2.gz PGFAXSVTJJJSPQ-HNNXBMFYSA-N 2 0 312.417 2.728 20 0 DFADRP CCC[NH+]1CCC([NH2+]CCc2cn3cccc(C)c3n2)CC1 ZINC000156283093 542700832 /nfs/dbraw/zinc/70/08/32/542700832.db2.gz JHMZNGFOWZPNIQ-UHFFFAOYSA-N 2 0 300.450 2.649 20 0 DFADRP C[C@H](NC(=O)CC[C@@H]([NH3+])CC1CCCCC1)[C@H]1CCC[NH2+]C1 ZINC000424060685 296481544 /nfs/dbraw/zinc/48/15/44/296481544.db2.gz QPQBVAIICFYNLJ-BHYGNILZSA-N 2 0 309.498 2.569 20 0 DFADRP C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)CC[C@@H]([NH3+])CC1CCCCC1 ZINC000424064325 296481744 /nfs/dbraw/zinc/48/17/44/296481744.db2.gz ZDUIGHVHURTDLD-UAGQMJEPSA-N 2 0 309.498 2.793 20 0 DFADRP C[C@H](CCNC(=O)c1ccc(C[NH+]2CCCCC2)cc1)[NH+](C)C ZINC000617748002 399788020 /nfs/dbraw/zinc/78/80/20/399788020.db2.gz JHLOVVYYCJWTOV-MRXNPFEDSA-N 2 0 317.477 2.743 20 0 DFADRP C[C@@H]1CCCN(C(=O)CC[C@@H]([NH3+])CC2CCCCC2)[C@@H]1C[NH3+] ZINC000424077074 296483464 /nfs/dbraw/zinc/48/34/64/296483464.db2.gz NIUGQRRBBHHWEF-DJIMGWMZSA-N 2 0 309.498 2.650 20 0 DFADRP C[C@H]([NH2+]Cc1cccc(OCC[NH+](C)C)c1)C1CCOCC1 ZINC000162601323 542738322 /nfs/dbraw/zinc/73/83/22/542738322.db2.gz VHLMFASSEJIVER-HNNXBMFYSA-N 2 0 306.450 2.532 20 0 DFADRP CC[NH+](CC)[C@H](C(=O)NCC[C@H](C)[NH+](C)C)c1ccccc1 ZINC000617751741 399789902 /nfs/dbraw/zinc/78/99/02/399789902.db2.gz BYHAHSVGKXRKCU-RDJZCZTQSA-N 2 0 305.466 2.526 20 0 DFADRP COC1CCN(CC[NH2+][C@H](C)c2ccc3c(c2)CCC3)CC1 ZINC000163657994 542743424 /nfs/dbraw/zinc/74/34/24/542743424.db2.gz RMHVFMOZWUMFOW-OAHLLOKOSA-N 2 0 302.462 2.937 20 0 DFADRP C[NH+](C)[C@@H]1CCc2cc(NC(=O)C[N@H+](C)C3CCC3)ccc21 ZINC000630005579 399790422 /nfs/dbraw/zinc/79/04/22/399790422.db2.gz KBGGZXFSIISWRS-QGZVFWFLSA-N 2 0 301.434 2.658 20 0 DFADRP c1cc(C[NH+]2CCCC2)ccc1C[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000166030863 542749553 /nfs/dbraw/zinc/74/95/53/542749553.db2.gz IYLJLOUOCIRATF-VQTJNVASSA-N 3 0 313.489 2.999 20 0 DFADRP CCC1([NH+](C)C)CCN(Cc2cccc3c2CC[NH2+]C3)CC1 ZINC000630072332 399805187 /nfs/dbraw/zinc/80/51/87/399805187.db2.gz HWBJCGVNMMLRDL-UHFFFAOYSA-N 2 0 301.478 2.639 20 0 DFADRP [NH3+]CC[C@H]1CCCN(C(=O)CC[C@H]([NH3+])CC2CCCCC2)C1 ZINC000424175735 296490449 /nfs/dbraw/zinc/49/04/49/296490449.db2.gz OAWKEHZPXKQUBB-SJORKVTESA-N 2 0 309.498 2.652 20 0 DFADRP C[C@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)CC(C)(C)[NH3+])cc1 ZINC000237518553 542903083 /nfs/dbraw/zinc/90/30/83/542903083.db2.gz DFNPETGUAHIALU-HNNXBMFYSA-N 2 0 317.477 2.805 20 0 DFADRP C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)CC(C)(C)[NH3+] ZINC000237519427 542903123 /nfs/dbraw/zinc/90/31/23/542903123.db2.gz SDGRZEWFXPMPLT-HNNXBMFYSA-N 2 0 317.477 2.805 20 0 DFADRP Cc1ccc(CC[NH2+]Cc2ccc(OCC[NH+](C)C)cc2)o1 ZINC000613261245 399833468 /nfs/dbraw/zinc/83/34/68/399833468.db2.gz RKYQNHBLRZVEPZ-UHFFFAOYSA-N 2 0 302.418 2.861 20 0 DFADRP Cc1cc(N2C[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)nc(C)n1 ZINC000280606881 542988956 /nfs/dbraw/zinc/98/89/56/542988956.db2.gz XZDJJJUVNNPTGJ-HDICACEKSA-N 2 0 308.429 2.662 20 0 DFADRP Cc1cccc(NC(=O)C[C@H](C)[NH2+]C[C@@H](C)C[NH+](C)C)c1C ZINC000293770347 543021390 /nfs/dbraw/zinc/02/13/90/543021390.db2.gz SPCQCNORGXDVMK-HIFRSBDPSA-N 2 0 305.466 2.808 20 0 DFADRP CCN(CCCN1CCC[C@H]([NH2+]C(C)C)C1)CC(F)(F)F ZINC000681210222 545611216 /nfs/dbraw/zinc/61/12/16/545611216.db2.gz JSFYSTOPZCOWRU-AWEZNQCLSA-N 2 0 309.420 2.723 20 0 DFADRP CCN(C(=O)[C@H]1CC[NH+](C2CCCCC2)C1)[C@@H]1CC[N@H+](CC)C1 ZINC000617928287 399837958 /nfs/dbraw/zinc/83/79/58/399837958.db2.gz MVZIYMYNEHGLQH-FUHWJXTLSA-N 2 0 321.509 2.584 20 0 DFADRP C[C@@H]([NH2+]CC1(O)CCCC1)c1ccc(OCC[NH+](C)C)cc1 ZINC000305126434 543054939 /nfs/dbraw/zinc/05/49/39/543054939.db2.gz LIRKKXHQHPHMKX-OAHLLOKOSA-N 2 0 306.450 2.583 20 0 DFADRP [NH3+][C@@H]1CCC[C@H](NC[C@@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC000309754144 543065787 /nfs/dbraw/zinc/06/57/87/543065787.db2.gz WRFPMLSSJZKESJ-OTWHNJEPSA-N 2 0 301.478 2.758 20 0 DFADRP c1ccc(C[N@@H+]2C[C@@H]3CC[C@H]([NH2+][C@@H]4CCC[NH2+]CC4)[C@@H]3C2)cc1 ZINC000309822540 543066129 /nfs/dbraw/zinc/06/61/29/543066129.db2.gz ZZNRCESRVFVUHT-NMLBUPMWSA-N 3 0 313.489 2.629 20 0 DFADRP C[C@@H]([NH2+]CCC[N@H+](C)Cc1ccccc1)C1CC[NH+](C)CC1 ZINC000309547254 543065007 /nfs/dbraw/zinc/06/50/07/543065007.db2.gz QWCWOIYWYWFVMG-QGZVFWFLSA-N 3 0 303.494 2.828 20 0 DFADRP CC1CCC(O)(C[NH2+]C2CCN(c3cc[nH+]cc3)CC2)CC1 ZINC000315809325 543072508 /nfs/dbraw/zinc/07/25/08/543072508.db2.gz BXPZUJLIRUCVST-UHFFFAOYSA-N 2 0 303.450 2.581 20 0 DFADRP COc1cc(C)ccc1[C@@H](C)[NH2+]CC(C)(C)N1CC[NH+](C)CC1 ZINC000319815772 543080573 /nfs/dbraw/zinc/08/05/73/543080573.db2.gz JHLUBUUSWHKBIS-MRXNPFEDSA-N 2 0 319.493 2.680 20 0 DFADRP CC[NH+](CC)CCC[C@H](C)NC(=O)c1cccc2c1CC[NH2+]C2 ZINC000322294186 543088678 /nfs/dbraw/zinc/08/86/78/543088678.db2.gz RWPHFLDPMMISHR-HNNXBMFYSA-N 2 0 317.477 2.573 20 0 DFADRP c1cc(C[NH+]2CCC(C[NH+]3CCCC3)CC2)c2c(c1)C[NH2+]CC2 ZINC000322311482 543089134 /nfs/dbraw/zinc/08/91/34/543089134.db2.gz YPKQXIFDBVTSES-UHFFFAOYSA-N 3 0 313.489 2.640 20 0 DFADRP COc1cc([C@H](C)[NH2+]CC(C)(C)N2CC[NH+](C)CC2)ccc1F ZINC000322370613 543089352 /nfs/dbraw/zinc/08/93/52/543089352.db2.gz LXVYFDDYAVAANF-AWEZNQCLSA-N 2 0 323.456 2.511 20 0 DFADRP Cc1ccc(C(=O)NCC[NH2+][C@H](C)C[C@@H]2CCCCC[NH2+]2)cc1 ZINC000261682055 292072386 /nfs/dbraw/zinc/07/23/86/292072386.db2.gz IHSNLTVSPKALRK-AEFFLSMTSA-N 2 0 317.477 2.625 20 0 DFADRP CCC[N@@H+]1CC[C@H](N[C@H](C)[C@@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC000328264102 543095623 /nfs/dbraw/zinc/09/56/23/543095623.db2.gz NUVIVHHSGYSDOX-RLLQIKCJSA-N 2 0 315.505 2.971 20 0 DFADRP CC(C)(C)CC[NH+]1CCC(C(=O)NCCC[NH+]2CCCC2)CC1 ZINC000348918344 285720926 /nfs/dbraw/zinc/72/09/26/285720926.db2.gz BXHBRCMYFQYGHX-UHFFFAOYSA-N 2 0 323.525 2.737 20 0 DFADRP C[C@@H]1C[C@H](CC[NH2+]Cc2cncnc2)C[N@@H+]1Cc1ccccc1 ZINC000338195237 543135168 /nfs/dbraw/zinc/13/51/68/543135168.db2.gz MFKCAAFZUMESKZ-AEFFLSMTSA-N 2 0 310.445 2.867 20 0 DFADRP Fc1cccc(F)c1N1CC[C@H]([NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)C1 ZINC000339067814 543139660 /nfs/dbraw/zinc/13/96/60/543139660.db2.gz JCWNPZDTDJIYRH-KKUMJFAQSA-N 2 0 321.415 2.760 20 0 DFADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCC[NH2+][C@H]2CC[NH+]3CCC[C@H]3C2)C1 ZINC000339070124 543140380 /nfs/dbraw/zinc/14/03/80/543140380.db2.gz WTTRSYMNFNJTRC-RDGPPVDQSA-N 3 0 307.526 2.961 20 0 DFADRP C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)CC[NH+]1CCCC[C@H]1C ZINC000339251948 543141974 /nfs/dbraw/zinc/14/19/74/543141974.db2.gz CQENFCLBQXNLIX-XWTMOSNGSA-N 2 0 323.525 2.734 20 0 DFADRP C[C@@H]1CCCC[N@@H+]1CCC(=O)NCc1cccc(C[NH+](C)C)c1 ZINC000339245207 543142068 /nfs/dbraw/zinc/14/20/68/543142068.db2.gz GYHWIOAJVPZBCO-MRXNPFEDSA-N 2 0 317.477 2.629 20 0 DFADRP O[C@@H]1CC[N@H+](Cc2ccccc2C[NH2+][C@@H]2CC[C@H]2C2CC2)C1 ZINC000348385281 543184959 /nfs/dbraw/zinc/18/49/59/543184959.db2.gz WAOXBLBNPUPJMZ-CEXWTWQISA-N 2 0 300.446 2.531 20 0 DFADRP CN(Cc1cnn(CC(F)(F)F)c1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000348869312 543188623 /nfs/dbraw/zinc/18/86/23/543188623.db2.gz MPXXKSTUKYLSKG-PBWFPOADSA-N 2 0 316.371 2.502 20 0 DFADRP COC1(C[N@@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@@H]32)CCCCC1 ZINC000361544067 292112229 /nfs/dbraw/zinc/11/22/29/292112229.db2.gz RQKUXVVVPOCWID-IXDOHACOSA-N 2 0 310.482 2.519 20 0 DFADRP Cn1cc([C@H]([NH2+]C2CCC([NH+](C)C)CC2)c2ccccc2)cn1 ZINC000353667306 543237538 /nfs/dbraw/zinc/23/75/38/543237538.db2.gz CFWZEGBURIBITN-CTWPCTMYSA-N 2 0 312.461 2.972 20 0 DFADRP CC(C)[NH+]1CCC([NH2+]C[C@](C)(CO)Cc2ccccc2)CC1 ZINC000358054656 543265501 /nfs/dbraw/zinc/26/55/01/543265501.db2.gz LQCZMONEOAJLLS-LJQANCHMSA-N 2 0 304.478 2.690 20 0 DFADRP C[C@@H]1C[C@H]([NH2+][C@@H]2CCCN(C)C2)CCN1Cc1ccccc1 ZINC000379642521 543297149 /nfs/dbraw/zinc/29/71/49/543297149.db2.gz AEZYGEDYIVZTCO-BHIYHBOVSA-N 2 0 301.478 2.723 20 0 DFADRP C[C@H]([NH2+][C@@H]1CCCN(C)C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000381802326 543298217 /nfs/dbraw/zinc/29/82/17/543298217.db2.gz UOGITISPMPBAHK-QXAKKESOSA-N 2 0 301.478 2.581 20 0 DFADRP CCn1cncc1C[NH2+][C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000383737199 543298882 /nfs/dbraw/zinc/29/88/82/543298882.db2.gz XKYPJBSXJPJKFT-DFQSSKMNSA-N 2 0 324.472 2.903 20 0 DFADRP O[C@@H]1CCCC[C@H]1[NH2+]C[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000378897377 543296937 /nfs/dbraw/zinc/29/69/37/543296937.db2.gz DLOJXLDXTYGBSL-GUDVDZBRSA-N 2 0 302.462 2.792 20 0 DFADRP C[NH+]1CCN(C(C)(C)C[NH2+][C@@H]2CCc3cc(Cl)ccc32)CC1 ZINC000388488438 543303344 /nfs/dbraw/zinc/30/33/44/543303344.db2.gz LSOYAOSAPVTVQX-QGZVFWFLSA-N 2 0 321.896 2.943 20 0 DFADRP CCOc1ccccc1[C@H](C)[NH2+]CC(C)(C)N1CC[NH+](C)CC1 ZINC000390253920 543306078 /nfs/dbraw/zinc/30/60/78/543306078.db2.gz FVMZBFIRFCKBBP-INIZCTEOSA-N 2 0 319.493 2.762 20 0 DFADRP OC1CCC(C[NH2+][C@H]2CCCN(Cc3ccccc3)C2)CC1 ZINC000390773636 543306990 /nfs/dbraw/zinc/30/69/90/543306990.db2.gz MZFZDNSWGYNJFV-AVAKVYKDSA-N 2 0 302.462 2.792 20 0 DFADRP C[C@H]1C[C@H](C)C[NH+](Cc2ccc(CNC(=O)C(C)(C)[NH3+])cc2)C1 ZINC000164837734 145226116 /nfs/dbraw/zinc/22/61/16/145226116.db2.gz YJJNWOCJBSSGCN-GJZGRUSLSA-N 2 0 317.477 2.518 20 0 DFADRP C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)C2([NH3+])CCCCC2)C1 ZINC000165127030 145229359 /nfs/dbraw/zinc/22/93/59/145229359.db2.gz PEYQFFBSZBATLK-HZPDHXFCSA-N 2 0 309.498 2.522 20 0 DFADRP C[C@H](CO[C@@H]1CCOC1)[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000166380320 145234887 /nfs/dbraw/zinc/23/48/87/145234887.db2.gz LFKIERCUDHZWLM-CRAIPNDOSA-N 2 0 310.482 2.567 20 0 DFADRP CCc1ccc(C[N@H+](C)CC2CC[NH+](C[C@@H](C)O)CC2)cc1 ZINC000172247725 145297034 /nfs/dbraw/zinc/29/70/34/145297034.db2.gz BIKUXFKUBMFNJH-MRXNPFEDSA-N 2 0 304.478 2.774 20 0 DFADRP C[C@H](CC(=O)Nc1cccc(Cl)c1)[NH2+][C@H]1CCC[C@H]([NH3+])C1 ZINC000414925501 543327862 /nfs/dbraw/zinc/32/78/62/543327862.db2.gz LWAQDAPDQHQXOD-ZLDLUXBVSA-N 2 0 309.841 2.917 20 0 DFADRP COc1sc(C[NH2+][C@H]2CCC[C@@H]([NH3+])C2)cc1Br ZINC000414937184 543328163 /nfs/dbraw/zinc/32/81/63/543328163.db2.gz ZWESZSOPZSKMML-BDAKNGLRSA-N 2 0 319.268 2.879 20 0 DFADRP COc1sc(C[NH2+][C@@H]2CCC[C@@H]([NH3+])C2)cc1Br ZINC000414937187 543328253 /nfs/dbraw/zinc/32/82/53/543328253.db2.gz ZWESZSOPZSKMML-RKDXNWHRSA-N 2 0 319.268 2.879 20 0 DFADRP C[C@H]([NH2+]C(C)(C)CNC(=O)C1CC[NH+](C)CC1)c1ccccc1 ZINC000172768889 145315306 /nfs/dbraw/zinc/31/53/06/145315306.db2.gz NQVGJJMWRSYVHJ-HNNXBMFYSA-N 2 0 317.477 2.574 20 0 DFADRP CC[NH2+]Cc1ccccc1NC(=O)N[C@H](C)C[NH+](CC)CC ZINC000415960726 543331642 /nfs/dbraw/zinc/33/16/42/543331642.db2.gz VDRUDEHETVXRCS-CQSZACIVSA-N 2 0 306.454 2.648 20 0 DFADRP O[C@H](CNc1cc[nH+]c2cc(F)ccc12)C[NH+]1CCCCC1 ZINC000174686203 145386950 /nfs/dbraw/zinc/38/69/50/145386950.db2.gz GOKCHZPOVJEBAQ-CQSZACIVSA-N 2 0 303.381 2.633 20 0 DFADRP CCC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc(C[NH+](C)C)cc1OC ZINC000633373695 399894074 /nfs/dbraw/zinc/89/40/74/399894074.db2.gz XCKLOQOODSSPSK-INIZCTEOSA-N 2 0 319.449 2.570 20 0 DFADRP CCC[N@@H+]1CCC[C@@H]1C(=O)Nc1ccc(C[NH+](C)C)cc1OC ZINC000633373696 399894176 /nfs/dbraw/zinc/89/41/76/399894176.db2.gz XCKLOQOODSSPSK-MRXNPFEDSA-N 2 0 319.449 2.570 20 0 DFADRP CN(CCOCC[NH3+])c1cc[nH+]c2cc(C(F)(F)F)ccc21 ZINC000630539407 399900122 /nfs/dbraw/zinc/90/01/22/399900122.db2.gz PTAQWGNEPRPSRD-UHFFFAOYSA-N 2 0 313.323 2.665 20 0 DFADRP C[C@@H]([NH2+]Cc1ccc(=O)[nH]c1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000631108653 399982146 /nfs/dbraw/zinc/98/21/46/399982146.db2.gz DSAWZBZKPJCKID-CRAIPNDOSA-N 2 0 311.429 2.787 20 0 DFADRP C[NH+]1CCN(c2cc[nH+]c(NCc3cc4cccnc4o3)c2)CC1 ZINC000630959960 399953676 /nfs/dbraw/zinc/95/36/76/399953676.db2.gz AFVLFJAOSKOMKT-UHFFFAOYSA-N 2 0 323.400 2.587 20 0 DFADRP Cc1ccsc1CNc1cc(N2CC[NH+](C)CC2)cc[nH+]1 ZINC000630960035 399953680 /nfs/dbraw/zinc/95/36/80/399953680.db2.gz BJMOZNCJUNDSRW-UHFFFAOYSA-N 2 0 302.447 2.815 20 0 DFADRP Cc1cc(C)c(/C=C\C[NH2+]C[C@@H](C)N2CC[NH+](C)CC2)cc1C ZINC000631065379 399972797 /nfs/dbraw/zinc/97/27/97/399972797.db2.gz QWCKUYPDKAEXSQ-LIXSYLKWSA-N 2 0 315.505 2.851 20 0 DFADRP COc1cc(Cl)c(CN[C@H]2CC[N@H+](C)[C@@H](C)C2)cc1OC ZINC000631080472 399976520 /nfs/dbraw/zinc/97/65/20/399976520.db2.gz QRQUFINYLXIVMX-AAEUAGOBSA-N 2 0 312.841 2.930 20 0 DFADRP CC1CC[NH+](C2CCC([NH2+]Cc3ccc(=O)[nH]c3)CC2)CC1 ZINC000631099968 399980391 /nfs/dbraw/zinc/98/03/91/399980391.db2.gz MTMUFDMZGGVALL-UHFFFAOYSA-N 2 0 303.450 2.920 20 0 DFADRP Cn1nc2c(c1C[NH2+]C1CCC(C[NH+](C)C)CC1)CCCC2 ZINC000631099884 399980395 /nfs/dbraw/zinc/98/03/95/399980395.db2.gz OTHOHUKPXHFKIK-UHFFFAOYSA-N 2 0 304.482 2.509 20 0 DFADRP CC[C@@H]1[C@@H](C(=O)NC[C@H](c2ccco2)[NH+](CC)CC)CC[N@@H+]1C ZINC000630838637 399936813 /nfs/dbraw/zinc/93/68/13/399936813.db2.gz BHBOYFYMKCPCKB-ARFHVFGLSA-N 2 0 321.465 2.509 20 0 DFADRP CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H]([NH+]3[C@H](C)CC[C@@H]3C)C2)CC[N@@H+]1C ZINC000630853204 399939344 /nfs/dbraw/zinc/93/93/44/399939344.db2.gz SBECENJVEVTEHT-MDMSPXHWSA-N 2 0 321.509 2.581 20 0 DFADRP Cc1ccc([C@@H](C)C[NH+]2CCC([N@H+](C)CCCO)CC2)cc1 ZINC000628175309 399996800 /nfs/dbraw/zinc/99/68/00/399996800.db2.gz RYRBBQSEVGXFQL-KRWDZBQOSA-N 2 0 304.478 2.877 20 0 DFADRP Cc1ccc([C@H](C)C[NH+]2CCC([N@H+](C)CCCO)CC2)cc1 ZINC000628175310 399997017 /nfs/dbraw/zinc/99/70/17/399997017.db2.gz RYRBBQSEVGXFQL-QGZVFWFLSA-N 2 0 304.478 2.877 20 0 DFADRP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@@H+]2Cc1ccc2[nH]ccc2c1 ZINC000628191095 399999193 /nfs/dbraw/zinc/99/91/93/399999193.db2.gz ZOUJULPZFICWJE-BHIYHBOVSA-N 2 0 313.445 2.851 20 0 DFADRP C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C[NH2+]Cc1cnn2c1CCC2 ZINC000631195280 400000962 /nfs/dbraw/zinc/00/09/62/400000962.db2.gz VGQKDFWGFARKEI-LPHOPBHVSA-N 2 0 324.472 2.687 20 0 DFADRP Cc1nn(C)cc1C[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000631196195 400001639 /nfs/dbraw/zinc/00/16/39/400001639.db2.gz OOBNATLSUINYJT-MAUKXSAKSA-N 2 0 312.461 2.586 20 0 DFADRP Cc1ccc([C@H](C)C[NH2+]C[C@@H](C)CN2CC[NH+](C)CC2)cc1 ZINC000628213392 400002396 /nfs/dbraw/zinc/00/23/96/400002396.db2.gz JDPJLIRMEHKGDN-QZTJIDSGSA-N 2 0 303.494 2.572 20 0 DFADRP C[C@]1(C[NH2+]C2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)CCCS1 ZINC000628228505 400004391 /nfs/dbraw/zinc/00/43/91/400004391.db2.gz QVVLHRGYTGNJDL-YESZJQIVSA-N 2 0 312.523 2.630 20 0 DFADRP C[NH+](C)CCN(CC[NH+](C)C)Cc1ccsc1C(F)(F)F ZINC000628278868 400012607 /nfs/dbraw/zinc/01/26/07/400012607.db2.gz KZHVQOWPFFYPLY-UHFFFAOYSA-N 2 0 323.428 2.692 20 0 DFADRP Oc1ccc(C[NH+]2CCN(c3[nH+]ccc4[nH]ccc43)CC2)cc1 ZINC000631536431 400048804 /nfs/dbraw/zinc/04/88/04/400048804.db2.gz GMNPRQKVPRXECW-UHFFFAOYSA-N 2 0 308.385 2.591 20 0 DFADRP CCC[C@H]([NH2+]CC(C)(C)N1CC[NH+](C)CC1)c1cc(C)ccn1 ZINC000631566303 400051955 /nfs/dbraw/zinc/05/19/55/400051955.db2.gz OTUNDZSTZQFIMF-KRWDZBQOSA-N 2 0 318.509 2.847 20 0 DFADRP C[N@@H+]1CCCC[C@@H](CNC(=O)[C@H]2CCCC[NH+]2C2CCCC2)C1 ZINC000628748970 400052318 /nfs/dbraw/zinc/05/23/18/400052318.db2.gz ZKMMGIYIEGNUOA-FUHWJXTLSA-N 2 0 321.509 2.632 20 0 DFADRP C(C1CC1)[NH+]1CCC([NH2+][C@H]2[C@@H]3CCO[C@@H]3C23CCCC3)CC1 ZINC000631570653 400052815 /nfs/dbraw/zinc/05/28/15/400052815.db2.gz WILLOYKYQCILSX-BZSNNMDCSA-N 2 0 304.478 2.798 20 0 DFADRP C[C@@H](CCc1c[nH]c2ccccc12)[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000631572371 400053000 /nfs/dbraw/zinc/05/30/00/400053000.db2.gz QDUHGEKIIUHQON-RDJZCZTQSA-N 2 0 315.461 2.535 20 0 DFADRP COc1cccc2c1OCCC[C@@H]2[NH2+]C[C@H]1CCC[N@H+](C)C1 ZINC000631578822 400054201 /nfs/dbraw/zinc/05/42/01/400054201.db2.gz ATUDOZYCWCSRIC-ZBFHGGJFSA-N 2 0 304.434 2.840 20 0 DFADRP COc1ccc2c(c1)CC[C@@H]2[NH2+]CC1(O)CC[NH+](C(C)C)CC1 ZINC000631589910 400055514 /nfs/dbraw/zinc/05/55/14/400055514.db2.gz KGUJGNLWPBHILS-SFHVURJKSA-N 2 0 318.461 2.507 20 0 DFADRP C[C@@H]1C[NH+](CCCC[NH2+][C@@H]2CCCc3ncccc32)C[C@@H](C)O1 ZINC000631596971 400056751 /nfs/dbraw/zinc/05/67/51/400056751.db2.gz ORTBXMQCLHMKTC-JFIYKMOQSA-N 2 0 317.477 2.938 20 0 DFADRP C[N@@H+]1CC[C@H]([NH2+]Cc2cccc3c2CCOC3)[C@H]2CCC[C@@H]21 ZINC000631732587 400070956 /nfs/dbraw/zinc/07/09/56/400070956.db2.gz LLLKLUYDZGNJTF-QYZOEREBSA-N 2 0 300.446 2.722 20 0 DFADRP C[C@H]1C[C@@H]([NH2+]C[C@@H]2CCO[C@H]2c2ccc(F)cc2)CC[N@@H+]1C ZINC000631733328 400070969 /nfs/dbraw/zinc/07/09/69/400070969.db2.gz BOFLBNQNGHYYBB-IKICRFKJSA-N 2 0 306.425 2.976 20 0 DFADRP Cc1ccc(C[NH+]2CC[C@H](N[C@@H]3CC[N@H+](C)[C@@H](C)C3)C2)cc1 ZINC000631750039 400072194 /nfs/dbraw/zinc/07/21/94/400072194.db2.gz YBQKFDARVRYHOF-UHOSZYNNSA-N 2 0 301.478 2.642 20 0 DFADRP C[C@@H]([NH2+][C@@H]1CCCC[C@@H]1O)c1ccc(OCC[NH+](C)C)cc1 ZINC000631810870 400076953 /nfs/dbraw/zinc/07/69/53/400076953.db2.gz GQGNPCKNDMUMLB-OLMNPRSZSA-N 2 0 306.450 2.581 20 0 DFADRP c1cc(C[N@@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)c2c(c1)COCC2 ZINC000631827483 400077949 /nfs/dbraw/zinc/07/79/49/400077949.db2.gz PDDSSEDFMQJGCH-JKSUJKDBSA-N 2 0 300.446 2.581 20 0 DFADRP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCC[N@@H+]2C[C@@H]2CCC(F)(F)C2)C1 ZINC000631829776 400078264 /nfs/dbraw/zinc/07/82/64/400078264.db2.gz ZJUQXFJFJVPOBY-TUVASFSCSA-N 2 0 302.409 2.783 20 0 DFADRP C[C@H]1C[N@H+](Cc2ccc(OCc3cccnc3)cc2)C[C@@H]1C[NH3+] ZINC000631839377 400078990 /nfs/dbraw/zinc/07/89/90/400078990.db2.gz FRFFGFJNIYDJKX-YJBOKZPZSA-N 2 0 311.429 2.687 20 0 DFADRP C[C@H]([NH2+]CCOCC[NH+](C)C)c1cccc(Br)c1 ZINC000219316432 146000553 /nfs/dbraw/zinc/00/05/53/146000553.db2.gz OIQYJSVZCCOLGU-LBPRGKRZSA-N 2 0 315.255 2.678 20 0 DFADRP CC[NH+]1CCN(c2ccc(C[NH2+]CC3(C)CCC3)cn2)CC1 ZINC000434764093 543349525 /nfs/dbraw/zinc/34/95/25/543349525.db2.gz MLWCVOJYYVTQPG-UHFFFAOYSA-N 2 0 302.466 2.503 20 0 DFADRP COC[C@@H](CCC[NH3+])[NH2+][C@H](C)c1cccc(Br)c1 ZINC000234750930 146018280 /nfs/dbraw/zinc/01/82/80/146018280.db2.gz MQOMVAZXWNBEKQ-BXUZGUMPSA-N 2 0 315.255 2.854 20 0 DFADRP CCCC[C@@H]([NH3+])C(=O)NC[C@H](c1ccsc1)[NH+](CC)CC ZINC000236757195 146025539 /nfs/dbraw/zinc/02/55/39/146025539.db2.gz XWSXFRRQTBGNFJ-HUUCEWRRSA-N 2 0 311.495 2.765 20 0 DFADRP CCN(C(=O)[C@H](C)C[NH2+]C)[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000237034785 146035057 /nfs/dbraw/zinc/03/50/57/146035057.db2.gz GMNACYPXEQXIOG-SOLBZPMBSA-N 2 0 317.477 2.526 20 0 DFADRP C[C@H](C(=O)NCc1cccc(C[NH+](C)C)c1)[NH+]1[C@H](C)CC[C@H]1C ZINC000245201346 146063173 /nfs/dbraw/zinc/06/31/73/146063173.db2.gz HOSVSTHAZHXAHR-BZUAXINKSA-N 2 0 317.477 2.626 20 0 DFADRP C[N@@H+]1CCC[C@@H]1CC[NH+]1CCC(OC[C@H]2CCCCO2)CC1 ZINC000245590639 146085480 /nfs/dbraw/zinc/08/54/80/146085480.db2.gz GGERRKVELQDFOZ-SJLPKXTDSA-N 2 0 310.482 2.521 20 0 DFADRP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccc(OC)c(OC)c2)[C@@H](C)C1 ZINC000245726547 146098313 /nfs/dbraw/zinc/09/83/13/146098313.db2.gz IXMQCTMKAMJYCT-HOCLYGCPSA-N 2 0 306.450 2.866 20 0 DFADRP CC[N@@H+]1CC[C@H]([NH2+]CCOCc2ccc(OC)cc2)[C@@H](C)C1 ZINC000246541222 146143460 /nfs/dbraw/zinc/14/34/60/146143460.db2.gz VXSFIYQFNXBELC-YJBOKZPZSA-N 2 0 306.450 2.532 20 0 DFADRP C[N@@H+]1CCC[C@H]2CN(Cc3ccc(Br)o3)CC[C@H]21 ZINC000248879914 146174096 /nfs/dbraw/zinc/17/40/96/146174096.db2.gz PBVSMQNTPXGKCQ-WCQYABFASA-N 2 0 313.239 2.958 20 0 DFADRP CN(C)[C@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1cccc(F)c1 ZINC000249056516 146183993 /nfs/dbraw/zinc/18/39/93/146183993.db2.gz YRQGTHBVDLXYKV-HQSKLWIPSA-N 2 0 305.441 2.643 20 0 DFADRP c1ccc(CC[N@@H+]2CC[C@@H](C[NH2+]C[C@H]3CCC=CO3)C2)cc1 ZINC000249050805 146184693 /nfs/dbraw/zinc/18/46/93/146184693.db2.gz XJXYSKAVSGEFJY-RBUKOAKNSA-N 2 0 300.446 2.833 20 0 DFADRP O[C@H](CC1CCCC1)C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000249153825 146190210 /nfs/dbraw/zinc/19/02/10/146190210.db2.gz YFYOXKMJNLLNLJ-QRQLOZEOSA-N 2 0 306.494 2.876 20 0 DFADRP C(CN1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1)C[NH+]1CCCCC1 ZINC000249348525 146194331 /nfs/dbraw/zinc/19/43/31/146194331.db2.gz KBXLNPIXIHCMAY-PKOBYXMFSA-N 2 0 305.510 2.811 20 0 DFADRP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)C/C=C\c2ccc(F)cc2)CC1 ZINC000254916202 146230076 /nfs/dbraw/zinc/23/00/76/146230076.db2.gz MBVFIOHBHMTDOX-MJSXRHKHSA-N 2 0 320.452 2.864 20 0 DFADRP CN(C[C@H]1CCC[NH2+]C1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000261543429 146237738 /nfs/dbraw/zinc/23/77/38/146237738.db2.gz HTIAIRJCSCHKGU-SFHVURJKSA-N 2 0 301.478 2.582 20 0 DFADRP C[C@@]1(C[NH3+])CCN(Cc2csc(Cc3ccccc3)n2)C1 ZINC000261602435 146244240 /nfs/dbraw/zinc/24/42/40/146244240.db2.gz AAZVHDUWZXBQCS-KRWDZBQOSA-N 2 0 301.459 2.905 20 0 DFADRP [NH3+]C[C@@H]1C[N@H+](Cc2ccc3c(c2)OCCO3)C[C@H]1c1ccccc1 ZINC000261607729 146245879 /nfs/dbraw/zinc/24/58/79/146245879.db2.gz AGXJVIFFOSPJLV-MSOLQXFVSA-N 2 0 324.424 2.632 20 0 DFADRP [NH3+][C@@H]1C[C@H]([NH2+]C2CCN(c3ccccn3)CC2)c2ccccc21 ZINC000261613504 146246950 /nfs/dbraw/zinc/24/69/50/146246950.db2.gz BIZKJAFGXMJRRE-MSOLQXFVSA-N 2 0 308.429 2.785 20 0 DFADRP CCn1ccnc1C[N@H+](C[C@@H]1C[C@@H]1C)[C@H]1CC12CC[NH2+]CC2 ZINC000261644290 146252282 /nfs/dbraw/zinc/25/22/82/146252282.db2.gz AMEADSGZZBMYPO-JYJNAYRXSA-N 2 0 302.466 2.503 20 0 DFADRP C[C@H](c1ccc(Cl)cc1)N(C)C(=O)CN1CC[C@](C)(C[NH3+])C1 ZINC000261674276 146258300 /nfs/dbraw/zinc/25/83/00/146258300.db2.gz JJZWQABUSMSNCG-CXAGYDPISA-N 2 0 323.868 2.530 20 0 DFADRP C[C@H](c1ccc(Cl)cc1)N(C)C(=O)CN1CC[C@@](C)(C[NH3+])C1 ZINC000261674279 146258353 /nfs/dbraw/zinc/25/83/53/146258353.db2.gz JJZWQABUSMSNCG-DYVFJYSZSA-N 2 0 323.868 2.530 20 0 DFADRP Cc1nc2ccccn2c1CN(CC[NH3+])CCc1ccccc1 ZINC000261710467 146263814 /nfs/dbraw/zinc/26/38/14/146263814.db2.gz HERYHQZORFKBES-UHFFFAOYSA-N 2 0 308.429 2.646 20 0 DFADRP c1cc2c(cc1C[NH2+][C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1)OCCO2 ZINC000261713478 146263972 /nfs/dbraw/zinc/26/39/72/146263972.db2.gz LJLQPOCPTPZSBK-GVDBMIGSSA-N 2 0 316.445 2.858 20 0 DFADRP COc1ccc(OC)c(CN2C[C@@H](c3ccccc3)[C@H]([NH3+])C2)c1 ZINC000261721895 146264636 /nfs/dbraw/zinc/26/46/36/146264636.db2.gz NNOHQAZVAYGBKU-ZWKOTPCHSA-N 2 0 312.413 2.631 20 0 DFADRP Cc1c(Cl)cccc1NC(=O)[C@@H](C)N1CC[C@@](C)(C[NH3+])C1 ZINC000261719818 146265326 /nfs/dbraw/zinc/26/53/26/146265326.db2.gz NHDDDJYRSMEGSO-WBMJQRKESA-N 2 0 309.841 2.646 20 0 DFADRP c1cc2c(cc1CC[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1)OCCO2 ZINC000261752555 146270460 /nfs/dbraw/zinc/27/04/60/146270460.db2.gz PCPXVPFBINSVQU-BBWFWOEESA-N 2 0 316.445 2.511 20 0 DFADRP C[C@@H]([NH3+])CC(=O)NC[C@H]1CCCC[N@@H+]1Cc1cccc(Cl)c1 ZINC000261776557 146274571 /nfs/dbraw/zinc/27/45/71/146274571.db2.gz JEIGYNJTGPLMKU-CZUORRHYSA-N 2 0 323.868 2.548 20 0 DFADRP Cc1ccc(C[N@@H+]2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)c(-c2cnn(C)c2)c1 ZINC000261817032 146281619 /nfs/dbraw/zinc/28/16/19/146281619.db2.gz IBDITNVLLNRCGJ-IPELMVKDSA-N 2 0 310.445 2.565 20 0 DFADRP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+]C[C@H]1CCN(CC(F)(F)F)C1 ZINC000261813578 146281766 /nfs/dbraw/zinc/28/17/66/146281766.db2.gz AEAZWKUWRSAYOG-RBSFLKMASA-N 2 0 321.431 2.771 20 0 DFADRP CCCOc1ccc(OCC[N@@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)cc1 ZINC000261816880 146281847 /nfs/dbraw/zinc/28/18/47/146281847.db2.gz GZBZZOFBMVFKEQ-IPELMVKDSA-N 2 0 318.461 2.913 20 0 DFADRP Cn1cc(-c2ccc(C[N@@H+]3C[C@@H]4CCC[C@@H]([NH3+])[C@H]4C3)s2)cn1 ZINC000261825363 146283517 /nfs/dbraw/zinc/28/35/17/146283517.db2.gz IRBOFPDDHKSCKN-VBNZEHGJSA-N 2 0 316.474 2.708 20 0 DFADRP C[N@H+](CCCNC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2[NH2+]1)C1CCCCC1 ZINC000261850222 146289009 /nfs/dbraw/zinc/28/90/09/146289009.db2.gz ZSUNVGLHMOCKGN-JQHSSLGASA-N 2 0 321.509 2.678 20 0 DFADRP C[N@@H+](Cc1ccccc1)CC1CC[NH+](C[C@@]2(C)CC[NH2+]C2)CC1 ZINC000261908135 146298619 /nfs/dbraw/zinc/29/86/19/146298619.db2.gz XNOXYXPYHUVILD-FQEVSTJZSA-N 2 0 315.505 2.830 20 0 DFADRP CC(C)c1ccccc1NC(=O)CN1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000261942417 146307104 /nfs/dbraw/zinc/30/71/04/146307104.db2.gz UXUKOFFOAYIZNY-BHYGNILZSA-N 2 0 315.461 2.808 20 0 DFADRP FC(F)(F)COc1ccc(CN2CC[C@@]3(CC[NH2+]C3)C2)cc1 ZINC000261949855 146308428 /nfs/dbraw/zinc/30/84/28/146308428.db2.gz FUMMLPZCWZDDEW-OAHLLOKOSA-N 2 0 314.351 2.813 20 0 DFADRP [NH3+]CC1CCN(Cc2c(F)cccc2Br)CC1 ZINC000261949811 146308767 /nfs/dbraw/zinc/30/87/67/146308767.db2.gz NVRMUUMRCBXQHT-UHFFFAOYSA-N 2 0 301.203 2.759 20 0 DFADRP Clc1ccccc1CC[NH2+][C@@H]1CCC[C@H]1[C@@H]1COCCN1 ZINC000261975751 146312910 /nfs/dbraw/zinc/31/29/10/146312910.db2.gz RCCINRIIXBPGHG-OIISXLGYSA-N 2 0 308.853 2.629 20 0 DFADRP Cc1cc(C)c(NC(=O)C[NH+]2CCC([C@@H](C)[NH3+])CC2)c(C)c1 ZINC000261978831 146313079 /nfs/dbraw/zinc/31/30/79/146313079.db2.gz QZUHVVSWERJUQM-OAHLLOKOSA-N 2 0 303.450 2.610 20 0 DFADRP COc1ccc(CN2CC[C@@]3(CC[NH2+]C3)C2)cc1OCC(C)C ZINC000261972570 146313271 /nfs/dbraw/zinc/31/32/71/146313271.db2.gz IJCHAIRWFYJPNO-LJQANCHMSA-N 2 0 318.461 2.915 20 0 DFADRP Cc1cc(C)c(NC(=O)C[NH+]2CCC([C@H](C)[NH3+])CC2)c(C)c1 ZINC000261978830 146313926 /nfs/dbraw/zinc/31/39/26/146313926.db2.gz QZUHVVSWERJUQM-HNNXBMFYSA-N 2 0 303.450 2.610 20 0 DFADRP Cn1cc(-c2ccc(C[N@H+](C)C3C[C@H]4CC[C@@H](C3)[NH2+]4)s2)cn1 ZINC000262034314 146325028 /nfs/dbraw/zinc/32/50/28/146325028.db2.gz XMXSEZGQMLWJQN-YIONKMFJSA-N 2 0 316.474 2.863 20 0 DFADRP Cc1ccc(NC(=O)NC[C@@H]2CCCN(CC(C)(C)[NH3+])C2)cc1 ZINC000262039444 146326424 /nfs/dbraw/zinc/32/64/24/146326424.db2.gz YEVPOURSWVTEIQ-HNNXBMFYSA-N 2 0 318.465 2.566 20 0 DFADRP c1coc(-c2nc(C[N@@H+]3CCC4(C3)CC[NH2+]CC4)cs2)c1 ZINC000262101666 146332981 /nfs/dbraw/zinc/33/29/81/146332981.db2.gz VOSLPDKVTULLTP-UHFFFAOYSA-N 2 0 303.431 2.979 20 0 DFADRP C[C@@H]([NH3+])C1CC[NH+](Cc2ccc(OC[C@H]3CCCO3)cc2)CC1 ZINC000262104083 146334481 /nfs/dbraw/zinc/33/44/81/146334481.db2.gz JHXQKAJVJLGANZ-DNVCBOLYSA-N 2 0 318.461 2.804 20 0 DFADRP Cc1ccc(C[N@@H+]2CCC3(C2)CC[NH2+]CC3)c(-c2ccnn2C)c1 ZINC000262106133 146334888 /nfs/dbraw/zinc/33/48/88/146334888.db2.gz VYMAFDJDFIWSMA-UHFFFAOYSA-N 2 0 324.472 2.971 20 0 DFADRP C[C@H]([NH3+])[C@@H]1CCC[N@H+](Cc2ccc(OC[C@@H]3CCCO3)cc2)C1 ZINC000262120520 146335618 /nfs/dbraw/zinc/33/56/18/146335618.db2.gz MBDQVWCGKYLDHO-WDYCEAGBSA-N 2 0 318.461 2.804 20 0 DFADRP Cc1nn(C(C)(C)C)c(C)c1C[N@@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000262141059 146338102 /nfs/dbraw/zinc/33/81/02/146338102.db2.gz ZBROTRHAKGKNEQ-UHFFFAOYSA-N 2 0 304.482 2.830 20 0 DFADRP C[NH2+]CC1CC[NH+](CCOc2ccc(F)cc2Cl)CC1 ZINC000262174693 146340577 /nfs/dbraw/zinc/34/05/77/146340577.db2.gz VRCJXMBIPBMHFG-UHFFFAOYSA-N 2 0 300.805 2.789 20 0 DFADRP CCc1ccc([C@H]2C[NH2+]CCN2CCC2CC[NH2+]CC2)cc1 ZINC000262184883 146340749 /nfs/dbraw/zinc/34/07/49/146340749.db2.gz JBZDFQZFJYQKDY-LJQANCHMSA-N 2 0 301.478 2.585 20 0 DFADRP CCC[N@H+](CCOc1ccccc1OCC)C1CC[NH2+]CC1 ZINC000262334155 146352143 /nfs/dbraw/zinc/35/21/43/146352143.db2.gz SVIIDRXDXSJKLG-UHFFFAOYSA-N 2 0 306.450 2.928 20 0 DFADRP CCC(CC)(CNC1=[NH+]CCCN1)[NH2+][C@@H](C)c1ccccc1 ZINC000262333009 146352824 /nfs/dbraw/zinc/35/28/24/146352824.db2.gz VXSZSKRFFHIEAY-HNNXBMFYSA-N 2 0 302.466 2.835 20 0 DFADRP CCOc1cc(C[N@@H+]2CC[C@H]([C@@H](C)[NH3+])C2)ccc1OC(F)F ZINC000262355330 146353509 /nfs/dbraw/zinc/35/35/09/146353509.db2.gz VRXJFBDHJJIOTQ-YPMHNXCESA-N 2 0 314.376 2.856 20 0 DFADRP [NH3+][C@@H]1CC[C@@H]2CN(Cc3nc(-c4ccc(Cl)cc4)no3)C[C@H]12 ZINC000262519841 146367210 /nfs/dbraw/zinc/36/72/10/146367210.db2.gz NYAACSBVAMDZMC-KWCYVHTRSA-N 2 0 318.808 2.559 20 0 DFADRP CCC[C@@](C)([NH3+])C(=O)NC1CCC([NH+]2CCC(C)CC2)CC1 ZINC000262573685 146374131 /nfs/dbraw/zinc/37/41/31/146374131.db2.gz NOMFDBCGHJDATO-LEOMRAHMSA-N 2 0 309.498 2.663 20 0 DFADRP CCC[C@@H]([NH2+]C(C)C)C(=O)NC1CC[NH+](C2CCCC2)CC1 ZINC000354492546 147057516 /nfs/dbraw/zinc/05/75/16/147057516.db2.gz SHJOEYSUOCTQLH-QGZVFWFLSA-N 2 0 309.498 2.676 20 0 DFADRP Cc1nccn1CCC[N@H+]1CCN(C(=O)OC(C)(C)C)C[C@H]1C ZINC000494077474 543413812 /nfs/dbraw/zinc/41/38/12/543413812.db2.gz GBVLQVCWUCFVEA-CQSZACIVSA-N 2 0 322.453 2.523 20 0 DFADRP CC(C)[C@H](C(=O)NC[C@@H](C)[N@@H+]1CCCC[C@H]1C)[NH+]1CCCCC1 ZINC000354661315 147108516 /nfs/dbraw/zinc/10/85/16/147108516.db2.gz NTXMIMSYLQDTHO-KZNAEPCWSA-N 2 0 323.525 2.876 20 0 DFADRP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)Cc2scnc2C2CC2)CC1 ZINC000494937363 543416798 /nfs/dbraw/zinc/41/67/98/543416798.db2.gz LRKOLQQOYKYEDV-CYBMUJFWSA-N 2 0 323.506 2.545 20 0 DFADRP CCC1CC[NH+](CC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)CC1 ZINC000354819554 147163904 /nfs/dbraw/zinc/16/39/04/147163904.db2.gz OSMOHAGCMXEMHT-SFHVURJKSA-N 2 0 317.477 2.528 20 0 DFADRP Cc1cc(C[N@H+](C)CC2CCN(c3cc[nH+]cc3)CC2)on1 ZINC000354864549 147182774 /nfs/dbraw/zinc/18/27/74/147182774.db2.gz VENCRQAYOJZPKR-UHFFFAOYSA-N 2 0 300.406 2.726 20 0 DFADRP CCCC[N@@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CCCC[NH+]1CC ZINC000354873981 147186496 /nfs/dbraw/zinc/18/64/96/147186496.db2.gz FTNKUACHBNMNBX-IRXDYDNUSA-N 2 0 309.498 2.632 20 0 DFADRP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000355213565 147225163 /nfs/dbraw/zinc/22/51/63/147225163.db2.gz FKGMNOPPAKKVNG-KPFFTGBYSA-N 2 0 313.489 2.581 20 0 DFADRP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000355213564 147225542 /nfs/dbraw/zinc/22/55/42/147225542.db2.gz FKGMNOPPAKKVNG-IMFGXOCKSA-N 2 0 313.489 2.581 20 0 DFADRP C[NH+](C)CCOc1ccc(CC[NH2+][C@H]2CC[C@H]2C2CC2)cc1 ZINC000516673028 543424153 /nfs/dbraw/zinc/42/41/53/543424153.db2.gz IBWXOBVZHAUXEL-OALUTQOASA-N 2 0 302.462 2.948 20 0 DFADRP [NH3+][C@@H]1C[C@@H]([NH2+]CCNc2ccc3ccccc3n2)c2ccccc21 ZINC000576744524 543454050 /nfs/dbraw/zinc/45/40/50/543454050.db2.gz PSQBIYXCRVPRCT-IEBWSBKVSA-N 2 0 318.424 3.381 20 0 DFADRP C[C@H]1C[N@H+](C)CC[C@H]1[NH2+]CCc1coc(-c2ccc(F)cc2)n1 ZINC000357788818 148122584 /nfs/dbraw/zinc/12/25/84/148122584.db2.gz DBNVKSQLODAJSZ-SUMWQHHRSA-N 2 0 317.408 2.953 20 0 DFADRP COc1cccc(C[C@H](C)[NH2+]CC(C)(C)C[NH+]2CCCC2)n1 ZINC000357845080 148146284 /nfs/dbraw/zinc/14/62/84/148146284.db2.gz GLSGWSMZRCFNMB-HNNXBMFYSA-N 2 0 305.466 2.733 20 0 DFADRP CC[C@H]([NH2+]CC1CCN(c2cc[nH+]cc2)CC1)[C@@H]1CCOC1 ZINC000357850361 148149725 /nfs/dbraw/zinc/14/97/25/148149725.db2.gz LMZZHPBVCZOQFP-AEFFLSMTSA-N 2 0 303.450 2.703 20 0 DFADRP Cc1[nH]nc2ncc(C[NH+]3CCC(C[NH+]4CCCC4)CC3)cc12 ZINC000350220408 286019565 /nfs/dbraw/zinc/01/95/65/286019565.db2.gz MRDRVCDOZDQQJZ-UHFFFAOYSA-N 2 0 313.449 2.574 20 0 DFADRP C[C@H](C(=O)N(CC[NH+](C)C)c1ccccc1)[NH+]1CCCCCC1 ZINC000357940631 148183161 /nfs/dbraw/zinc/18/31/61/148183161.db2.gz ULPVJTKFZJFRGL-QGZVFWFLSA-N 2 0 317.477 2.846 20 0 DFADRP CCCCNC(=O)c1ccc(C[NH2+][C@@H]2CC[N@H+](C)C[C@H]2C)cc1 ZINC000358000059 148205321 /nfs/dbraw/zinc/20/53/21/148205321.db2.gz BISRTLHJTKARRB-CRAIPNDOSA-N 2 0 317.477 2.646 20 0 DFADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]CCOC2CCCC2)[C@@H](C)C1 ZINC000358016756 148213471 /nfs/dbraw/zinc/21/34/71/148213471.db2.gz HLDHBOYJRWONFG-WMZOPIPTSA-N 2 0 312.498 2.672 20 0 DFADRP C[C@H](NC(=O)Nc1cccc(C[NH+](C)C)c1)C1=CC[N@H+](C)CC1 ZINC000358072090 148233379 /nfs/dbraw/zinc/23/33/79/148233379.db2.gz BMJIKVVKNAUMMH-AWEZNQCLSA-N 2 0 316.449 2.520 20 0 DFADRP C[C@@H]1CN(C2CC2)C[C@@H]1[NH2+][C@@H](c1ccccc1)[C@H]1CCCO1 ZINC000358077569 148234865 /nfs/dbraw/zinc/23/48/65/148234865.db2.gz APXXKNZRUYSOIN-FDPIWHGQSA-N 2 0 300.446 2.979 20 0 DFADRP C[C@@H]1C[C@H]([NH2+]Cc2ccc(OC[C@H]3CCCO3)cc2)CC[N@@H+]1C ZINC000358104809 148246458 /nfs/dbraw/zinc/24/64/58/148246458.db2.gz YYIKXNQIFMTOQE-SZVBFZGTSA-N 2 0 318.461 2.817 20 0 DFADRP Cc1cnc(CC[NH2+]C2CC[NH+]([C@H]3CCC[C@@H](C)C3)CC2)nc1 ZINC000358357723 148340260 /nfs/dbraw/zinc/34/02/60/148340260.db2.gz RDWKDIUEXKZVGE-QAPCUYQASA-N 2 0 316.493 2.960 20 0 DFADRP Cc1ccc(NC(=O)[C@H](C)[N@@H+]2CCC3(C2)CC[NH2+]CC3)cc1F ZINC000358502022 148380569 /nfs/dbraw/zinc/38/05/69/148380569.db2.gz UQXSWOPLCRIMTQ-AWEZNQCLSA-N 2 0 319.424 2.537 20 0 DFADRP C[C@H](CNC(=O)C1(C[NH+](C)C)CCCCC1)C[NH+]1CCCCC1 ZINC000358603903 148396005 /nfs/dbraw/zinc/39/60/05/148396005.db2.gz ROWJAGFVHLPWFC-QGZVFWFLSA-N 2 0 323.525 2.737 20 0 DFADRP C[C@H](Cc1cnn(C)c1)[NH2+][C@@H]1C[C@H](C)N(Cc2ccccc2)C1 ZINC000350484974 286048744 /nfs/dbraw/zinc/04/87/44/286048744.db2.gz YDEMTWSTIFVSKT-JTDSTZFVSA-N 2 0 312.461 2.604 20 0 DFADRP Cc1cc([C@H]([NH2+]CC2CC[NH+](CCO)CC2)C2CC2)ccc1F ZINC000359376126 148651210 /nfs/dbraw/zinc/65/12/10/148651210.db2.gz UIDJOELKFCQENY-LJQANCHMSA-N 2 0 320.452 2.879 20 0 DFADRP Cn1nccc1C[N@@H+]1CCCC[C@@H]1[C@H](C[NH3+])Cc1ccccc1 ZINC000350562262 286060107 /nfs/dbraw/zinc/06/01/07/286060107.db2.gz ZOKMYZHXVKEDJD-PKOBYXMFSA-N 2 0 312.461 2.592 20 0 DFADRP C[C@H]1C[C@H](C)C[NH+](CCN2CC[NH+](C3CCCCC3)CC2)C1 ZINC000660010316 543524179 /nfs/dbraw/zinc/52/41/79/543524179.db2.gz JHRQTOTVWRRFNJ-ROUUACIJSA-N 2 0 307.526 2.915 20 0 DFADRP COC[C@@H](C[NH+]1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1)OC ZINC000660007079 543524201 /nfs/dbraw/zinc/52/42/01/543524201.db2.gz YOEVXAHEBHEWEL-SJLPKXTDSA-N 2 0 312.498 2.624 20 0 DFADRP C[C@@H]([NH2+]CC1CC[NH+](C)CC1)c1cccc(N2CCOCC2)c1 ZINC000361174886 149046451 /nfs/dbraw/zinc/04/64/51/149046451.db2.gz IGDRLEXPDYUWDY-MRXNPFEDSA-N 2 0 317.477 2.516 20 0 DFADRP CCc1ccc([C@@H](C)[NH2+]CCC[N@@H+]2CCC[C@@H](C(N)=O)C2)s1 ZINC000361173478 149046477 /nfs/dbraw/zinc/04/64/77/149046477.db2.gz IACURVPHXYZXBY-ZIAGYGMSSA-N 2 0 323.506 2.549 20 0 DFADRP Cc1cccc([C@H](C)[NH2+]CCC[N@@H+]2CCC[C@@H](C(N)=O)C2)c1C ZINC000361176946 149047210 /nfs/dbraw/zinc/04/72/10/149047210.db2.gz YPBQXSLXENUYJA-DLBZAZTESA-N 2 0 317.477 2.541 20 0 DFADRP CC[C@@H]([NH2+]CCc1ccc(OCC[NH+](C)C)cc1)[C@H]1CCOC1 ZINC000361176104 149047962 /nfs/dbraw/zinc/04/79/62/149047962.db2.gz UEZVKZYWOPJMPA-PKOBYXMFSA-N 2 0 320.477 2.574 20 0 DFADRP CC(C)C[C@@H]([NH2+][C@@H](C)CN1CC[NH+](C)CC1)c1ccccc1 ZINC000361233530 149061320 /nfs/dbraw/zinc/06/13/20/149061320.db2.gz YNXQVCLMRBPYOW-PKOBYXMFSA-N 2 0 303.494 2.999 20 0 DFADRP C[N@@H+]1CCC[C@H](N2CCN(CCc3ccccc3Cl)CC2)C1 ZINC000361525673 149139640 /nfs/dbraw/zinc/13/96/40/149139640.db2.gz RYGOUTHZMZSMAT-KRWDZBQOSA-N 2 0 321.896 2.594 20 0 DFADRP C[C@H]([NH2+][C@H]1CCN(C)[C@H](C)C1)c1cccc(OCC[NH+](C)C)c1 ZINC000361765719 149213440 /nfs/dbraw/zinc/21/34/40/149213440.db2.gz PYLNDERVCZWBNA-RYRKJORJSA-N 2 0 319.493 2.760 20 0 DFADRP C[C@H]1CCC[C@H](C[NH2+]Cc2ccnc(OCC[NH+](C)C)c2)C1 ZINC000350834632 286094135 /nfs/dbraw/zinc/09/41/35/286094135.db2.gz RLIIAHRJXQPLMD-HOTGVXAUSA-N 2 0 305.466 2.938 20 0 DFADRP C[C@@H]1CCC[C@H](C[NH2+]Cc2ccnc(OCC[NH+](C)C)c2)C1 ZINC000350834631 286094223 /nfs/dbraw/zinc/09/42/23/286094223.db2.gz RLIIAHRJXQPLMD-CVEARBPZSA-N 2 0 305.466 2.938 20 0 DFADRP C[C@@H]1CCC[C@@H](C[NH2+]Cc2ccnc(OCC[NH+](C)C)c2)C1 ZINC000350834634 286094233 /nfs/dbraw/zinc/09/42/33/286094233.db2.gz RLIIAHRJXQPLMD-HZPDHXFCSA-N 2 0 305.466 2.938 20 0 DFADRP C[C@@H](CCNC(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C)[NH+](C)C ZINC000667196213 543564500 /nfs/dbraw/zinc/56/45/00/543564500.db2.gz RKMHSZPBCORLNT-SUMWQHHRSA-N 2 0 318.465 2.697 20 0 DFADRP [NH3+][C@@H]1CC[C@@H]2C[N@H+](Cc3cccc(OCC(F)(F)F)c3)C[C@H]12 ZINC000351472250 286128586 /nfs/dbraw/zinc/12/85/86/286128586.db2.gz AHTUXBPBOLYIDR-VHDGCEQUSA-N 2 0 314.351 2.797 20 0 DFADRP Cc1cc(C)n(-c2ccc(C[N@@H+]3C[C@@H]4CC[C@H]([NH3+])[C@@H]4C3)cc2)n1 ZINC000351479511 286130743 /nfs/dbraw/zinc/13/07/43/286130743.db2.gz RIZIOUGDKFODCM-UHOSZYNNSA-N 2 0 310.445 2.658 20 0 DFADRP Cc1nc(C[C@@H]2CCC[NH+](CC[C@H]3CCCC[N@H+]3C)C2)no1 ZINC000351545333 286149236 /nfs/dbraw/zinc/14/92/36/286149236.db2.gz OWTPDHKGCIYNLX-JKSUJKDBSA-N 2 0 306.454 2.507 20 0 DFADRP Cc1nc(C[C@@H]2CCC[NH+](CC[C@@H]3CCCC[N@H+]3C)C2)no1 ZINC000351545329 286149303 /nfs/dbraw/zinc/14/93/03/286149303.db2.gz OWTPDHKGCIYNLX-HOTGVXAUSA-N 2 0 306.454 2.507 20 0 DFADRP O[C@H](Cc1ccccc1)C[N@@H+]1CCC[C@@H](C[NH+]2CCCCC2)C1 ZINC000371196061 150001095 /nfs/dbraw/zinc/00/10/95/150001095.db2.gz BPOKYCBBLWLROF-VQTJNVASSA-N 2 0 316.489 2.788 20 0 DFADRP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@@H+]2CCSc1ccccc1 ZINC000371292453 150016812 /nfs/dbraw/zinc/01/68/12/150016812.db2.gz CAWJPZGEXNDNQI-KBAYOESNSA-N 2 0 320.502 2.962 20 0 DFADRP Cc1cc(F)ccc1C[N@H+]1CC[C@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000371335493 150025545 /nfs/dbraw/zinc/02/55/45/150025545.db2.gz KNKYQTOCAQOBDL-IBGZPJMESA-N 2 0 319.468 2.734 20 0 DFADRP C[C@@H](c1cccc(F)c1)[N@H+](C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000371425898 150045279 /nfs/dbraw/zinc/04/52/79/150045279.db2.gz VHWDRUTVIQPGJK-HNAYVOBHSA-N 2 0 319.468 2.987 20 0 DFADRP CC[N@@H+]1CC[C@H]([NH2+]Cc2ccccc2-c2cnn(C)c2)[C@@H](C)C1 ZINC000371433550 150046555 /nfs/dbraw/zinc/04/65/55/150046555.db2.gz XIBVSJJPJMRHGC-KXBFYZLASA-N 2 0 312.461 2.907 20 0 DFADRP C[C@H](CCc1ccc2c(c1)OCO2)[NH2+][C@@H]1CCc2nccn2C1 ZINC000371479150 150053263 /nfs/dbraw/zinc/05/32/63/150053263.db2.gz DLKYDGVZAYDPMO-UKRRQHHQSA-N 2 0 313.401 2.538 20 0 DFADRP C[N@H+]1CC=C(C[NH2+]C2CCN(Cc3cccc(F)c3)CC2)CC1 ZINC000371498992 150056242 /nfs/dbraw/zinc/05/62/42/150056242.db2.gz AMOZRWIGCWEZQI-UHFFFAOYSA-N 2 0 317.452 2.642 20 0 DFADRP CCCNC(=[NH2+])NCC1CC[NH+](Cc2ccccc2F)CC1 ZINC000371877991 150107724 /nfs/dbraw/zinc/10/77/24/150107724.db2.gz DEIUETATHWCESK-UHFFFAOYSA-N 2 0 306.429 2.562 20 0 DFADRP CCOC(C[N@@H+]1CC[C@@H](CNc2cc(C)cc[nH+]2)C1)OCC ZINC000372044866 150129652 /nfs/dbraw/zinc/12/96/52/150129652.db2.gz YBYHOXVJTRBTRO-HNNXBMFYSA-N 2 0 307.438 2.523 20 0 DFADRP C[N@@H+]1CCCC[C@@H]1CC[NH+]1CCC[C@@H](CNC(=O)C(C)(C)C)C1 ZINC000351599261 286165077 /nfs/dbraw/zinc/16/50/77/286165077.db2.gz WISHUMDULWFQOW-DLBZAZTESA-N 2 0 323.525 2.735 20 0 DFADRP O=C(Nc1cccc(C[NH+]2CCCCC2)c1)[C@H]1C[C@]12CC[NH2+]C2 ZINC000372433015 150173114 /nfs/dbraw/zinc/17/31/14/150173114.db2.gz ZNUOQHUQTCTAKR-MJGOQNOKSA-N 2 0 313.445 2.611 20 0 DFADRP Cc1cccc(C[C@@H](CO)[NH2+]C2CC[NH+](C3CCCC3)CC2)c1 ZINC000372762351 150182365 /nfs/dbraw/zinc/18/23/65/150182365.db2.gz FWYGLCWXXOEQTA-IBGZPJMESA-N 2 0 316.489 2.895 20 0 DFADRP C[N@H+](C[C@H]1CC12CC[NH+](CCC(=O)OC(C)(C)C)CC2)C1CC1 ZINC000372842076 150192140 /nfs/dbraw/zinc/19/21/40/150192140.db2.gz NTWNNQSTRGOOHD-OAHLLOKOSA-N 2 0 322.493 2.915 20 0 DFADRP COC(=O)[C@@H]1CC[N@H+](CC(C)(C)C[NH+](C)Cc2ccccc2)C1 ZINC000351609959 286168462 /nfs/dbraw/zinc/16/84/62/286168462.db2.gz WUMKKRSSVPNHEK-QGZVFWFLSA-N 2 0 318.461 2.640 20 0 DFADRP C[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+]CCOCC(F)F)CC1 ZINC000372952950 150206037 /nfs/dbraw/zinc/20/60/37/150206037.db2.gz SLQHUWPGRDNOSN-UKRRQHHQSA-N 2 0 304.425 2.901 20 0 DFADRP CC[C@@H](C)NC(=[NH2+])NC[C@]1(C)CC[N@H+](Cc2ccccc2)C1 ZINC000374006042 150291274 /nfs/dbraw/zinc/29/12/74/150291274.db2.gz ODZCXUIKYYGASA-QAPCUYQASA-N 2 0 302.466 2.811 20 0 DFADRP C[NH+](C)CCOc1ccccc1N1CC[NH+](CC2CCC2)CC1 ZINC000426998138 296646389 /nfs/dbraw/zinc/64/63/89/296646389.db2.gz OSSUUFRMNNWTGX-UHFFFAOYSA-N 2 0 317.477 2.549 20 0 DFADRP CCN(CCC[NH+]1CCCC1)C(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC000351793020 286219510 /nfs/dbraw/zinc/21/95/10/286219510.db2.gz ZTSCLSMYAKWNAT-QGZVFWFLSA-N 2 0 309.498 2.585 20 0 DFADRP CCO[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCC[N@@H+](C(C)C)C2)C12CCOCC2 ZINC000186321588 286283607 /nfs/dbraw/zinc/28/36/07/286283607.db2.gz TXBQMSOKKWMWIX-RCCFBDPRSA-N 2 0 324.509 2.671 20 0 DFADRP CCC[C@@H]([NH2+]C(C)C)C(=O)N[C@H](C[NH+](C)C)c1ccccc1 ZINC000352139997 286302180 /nfs/dbraw/zinc/30/21/80/286302180.db2.gz IRXAUKXAZOHSBT-IAGOWNOFSA-N 2 0 305.466 2.572 20 0 DFADRP CCC[C@H]([NH2+]C(C)C)C(=O)NCC(C)(C)[N@@H+]1CCC[C@@H](C)C1 ZINC000352156352 286307291 /nfs/dbraw/zinc/30/72/91/286307291.db2.gz JIZGCWPWYQQXQQ-CVEARBPZSA-N 2 0 311.514 2.780 20 0 DFADRP CN(C)Cc1cnc(CNCCC[N@H+](C)C2CCCCC2)s1 ZINC000352257805 286330300 /nfs/dbraw/zinc/33/03/00/286330300.db2.gz XXSHWGJDLLBRCT-UHFFFAOYSA-N 2 0 324.538 2.949 20 0 DFADRP CC[N@@H+]1CCC[C@H](C[NH2+]Cc2ccccc2-c2ccnn2C)C1 ZINC000352273770 286333785 /nfs/dbraw/zinc/33/37/85/286333785.db2.gz QEPLKIZLASEWCD-MRXNPFEDSA-N 2 0 312.461 2.909 20 0 DFADRP [NH3+]CC[C@H]1CCCC[N@@H+]1Cc1ccc(OC[C@H]2CCCO2)cc1 ZINC000352495172 286388154 /nfs/dbraw/zinc/38/81/54/286388154.db2.gz JERZOFYDIZGIHN-IEBWSBKVSA-N 2 0 318.461 2.948 20 0 DFADRP C[C@H](NC(=O)C[N@H+](CCC[NH3+])CC1CCCC1)c1ccccc1 ZINC000352519783 286396565 /nfs/dbraw/zinc/39/65/65/286396565.db2.gz RNAQEVADGQBRBH-INIZCTEOSA-N 2 0 317.477 2.705 20 0 DFADRP CC1CCC(NC(=O)C[N@H+](CCC[NH3+])CC2CCCC2)CC1 ZINC000352507925 286392413 /nfs/dbraw/zinc/39/24/13/286392413.db2.gz FBZKPIDWSQCCMX-UHFFFAOYSA-N 2 0 309.498 2.522 20 0 DFADRP C[NH+]1CCN(CCC(C)(C)[NH2+]Cc2ccc3occc3c2)CC1 ZINC000352726936 286452199 /nfs/dbraw/zinc/45/21/99/286452199.db2.gz WGPWSPKRGWDGPG-UHFFFAOYSA-N 2 0 315.461 2.939 20 0 DFADRP [NH3+][C@@H]1CCCCCC[C@H]1C(=O)Nc1ccc2c(c1)C[NH2+]CC2 ZINC000429339816 296743857 /nfs/dbraw/zinc/74/38/57/296743857.db2.gz RWIVCLUNZGKFSN-IAGOWNOFSA-N 2 0 301.434 2.569 20 0 DFADRP C[C@@H]([NH2+]CCCC[NH+]1C[C@H](C)C[C@@H](C)C1)c1ccc(=O)[nH]n1 ZINC000353439214 286645022 /nfs/dbraw/zinc/64/50/22/286645022.db2.gz IFWIYRYNNKXWKM-RBSFLKMASA-N 2 0 306.454 2.591 20 0 DFADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H](C)[C@@H]1CCC[NH+](C2CCC2)C1 ZINC000182821133 158008703 /nfs/dbraw/zinc/00/87/03/158008703.db2.gz XGZBCLCFBUMGGL-LZLYRXPVSA-N 2 0 321.509 2.630 20 0 DFADRP CC(C)(C)OCC[NH+]1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000182964305 158011551 /nfs/dbraw/zinc/01/15/51/158011551.db2.gz ZMCCTNHSLDPUKZ-UHFFFAOYSA-N 2 0 312.498 2.626 20 0 DFADRP C[NH+](C)Cc1cccc(C(=O)NCC2(C[NH+](C)C)CCCC2)c1 ZINC000185084599 158044518 /nfs/dbraw/zinc/04/45/18/158044518.db2.gz VDUPUWAWXJNOIW-UHFFFAOYSA-N 2 0 317.477 2.600 20 0 DFADRP C[C@@H]([NH2+]CCCC[N@@H+]1CCC[C@H]1CO)c1ccccc1N(C)C ZINC000246427468 158091447 /nfs/dbraw/zinc/09/14/47/158091447.db2.gz MUNJWBAFYNROGS-SJORKVTESA-N 2 0 319.493 2.640 20 0 DFADRP CC[N@@H+]1CC[C@H]([NH2+][C@H]2CCN(c3ncccc3Cl)C2)[C@H](C)C1 ZINC000246945527 158106431 /nfs/dbraw/zinc/10/64/31/158106431.db2.gz HDJSGZZQANSSOY-YCPHGPKFSA-N 2 0 322.884 2.634 20 0 DFADRP O[C@H](Cc1ccccc1)C[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000246969432 158110398 /nfs/dbraw/zinc/11/03/98/158110398.db2.gz GQCVCSUSTNDUSR-RTBURBONSA-N 2 0 302.462 2.540 20 0 DFADRP CC[NH+]1CCN([C@@H]2CC[N@@H+]([C@H](C)c3cccc(C)c3)C2)CC1 ZINC000247224141 158123623 /nfs/dbraw/zinc/12/36/23/158123623.db2.gz CYRJOLLXVBUXHK-IEBWSBKVSA-N 2 0 301.478 2.768 20 0 DFADRP CCCCc1noc([C@H](C)N2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)n1 ZINC000247944568 158153560 /nfs/dbraw/zinc/15/35/60/158153560.db2.gz DKOPZVMUKWPUNI-ZNMIVQPWSA-N 2 0 306.454 2.889 20 0 DFADRP COc1cc(OC)c(OC)cc1CN[C@@H]1C[C@@H](C)[N@H+](C)C[C@@H]1C ZINC000247944299 158153783 /nfs/dbraw/zinc/15/37/83/158153783.db2.gz GZHFNFKXGAKPOA-GZBFAFLISA-N 2 0 322.449 2.531 20 0 DFADRP CC[N@@H+]1CC[C@H](NC[C@H]2CCC[NH+]2Cc2ccccc2)[C@@H](C)C1 ZINC000247987771 158155195 /nfs/dbraw/zinc/15/51/95/158155195.db2.gz IZTBVOJDZCALAA-SXLOBPIMSA-N 2 0 315.505 2.971 20 0 DFADRP CCOc1ccc(OCC[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)cc1 ZINC000248122495 158162111 /nfs/dbraw/zinc/16/21/11/158162111.db2.gz NNVNLOFZJCVVNO-QFBILLFUSA-N 2 0 318.461 2.880 20 0 DFADRP COC(=O)c1ccc(F)c(CN2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)c1 ZINC000248406578 158173996 /nfs/dbraw/zinc/17/39/96/158173996.db2.gz SOCMOOVJXHHOAI-WMLDXEAASA-N 2 0 320.408 2.528 20 0 DFADRP COC(C)(C)C[NH2+][C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000248419414 158175176 /nfs/dbraw/zinc/17/51/76/158175176.db2.gz VBDSXHNZKJDUCY-RCCFBDPRSA-N 2 0 302.462 2.912 20 0 DFADRP COC[C@H]([NH2+][C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21)C1CC1 ZINC000248418023 158175335 /nfs/dbraw/zinc/17/53/35/158175335.db2.gz SAEUNOXVGQXAMS-NMLBUPMWSA-N 2 0 314.473 2.912 20 0 DFADRP C[C@@H]([NH2+]CCCN1CCN(c2cc[nH+]cc2)CC1)c1ccco1 ZINC000268781806 158209117 /nfs/dbraw/zinc/20/91/17/158209117.db2.gz CNLCNNLLPBCYBI-MRXNPFEDSA-N 2 0 314.433 2.538 20 0 DFADRP C[N@H+](CCc1cccnc1)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000354888148 158240840 /nfs/dbraw/zinc/24/08/40/158240840.db2.gz CSAFUBPWUFOIMW-UHFFFAOYSA-N 2 0 310.445 2.868 20 0 DFADRP CC[N@H+](CCC1CC1)CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000355034702 158257489 /nfs/dbraw/zinc/25/74/89/158257489.db2.gz FRLYFAOXGUYGIS-SFHVURJKSA-N 2 0 317.477 2.528 20 0 DFADRP C[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+]CCc2ccn(C)n2)CC1 ZINC000355059087 158262914 /nfs/dbraw/zinc/26/29/14/158262914.db2.gz GZXJMDHSGRIKDX-CRAIPNDOSA-N 2 0 304.482 2.595 20 0 DFADRP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@@H+]2Cc1cccc2cc[nH]c21 ZINC000355209126 158299166 /nfs/dbraw/zinc/29/91/66/158299166.db2.gz QYXDZCZIMVFRNJ-FGTMMUONSA-N 2 0 313.445 2.851 20 0 DFADRP COc1ccc(C[N@H+](CCOCC[NH3+])Cc2ccccc2)cc1 ZINC000357086063 158362485 /nfs/dbraw/zinc/36/24/85/158362485.db2.gz RJRQHOYKNYXIDT-UHFFFAOYSA-N 2 0 314.429 2.673 20 0 DFADRP COCC[N@H+](C)CCC[NH2+][C@@H]1CCC[C@H](c2cccnc2)C1 ZINC000376738193 158895890 /nfs/dbraw/zinc/89/58/90/158895890.db2.gz SEYAKTYCUXYNTJ-FUHWJXTLSA-N 2 0 305.466 2.666 20 0 DFADRP C[C@@H](c1ccc(Cl)cc1)N(C)C(=O)C[NH+]1CCC(C[NH3+])CC1 ZINC000430605950 296800062 /nfs/dbraw/zinc/80/00/62/296800062.db2.gz TYHFTKOJXSVKHE-ZDUSSCGKSA-N 2 0 323.868 2.530 20 0 DFADRP Cc1ccc(F)cc1NC(=O)[C@@H](C)[NH+]1CCC([C@@H](C)[NH3+])CC1 ZINC000430937058 296813654 /nfs/dbraw/zinc/81/36/54/296813654.db2.gz YVORIZQAJODVEZ-CHWSQXEVSA-N 2 0 307.413 2.520 20 0 DFADRP CCN(CC)C(=O)[C@H](c1ccccc1)[NH+]1CCC([C@H](C)[NH3+])CC1 ZINC000430952096 296814505 /nfs/dbraw/zinc/81/45/05/296814505.db2.gz XTISBFDCEULKHR-YJBOKZPZSA-N 2 0 317.477 2.655 20 0 DFADRP Cc1ccc(NC(=O)[C@@H](C)[NH+]2CCC3(CC[NH2+]C3)CC2)cc1C ZINC000431037182 296818919 /nfs/dbraw/zinc/81/89/19/296818919.db2.gz IFUYJZIBSTXGOG-MRXNPFEDSA-N 2 0 315.461 2.706 20 0 DFADRP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)[C@@H](C)[NH+]1[C@H](C)CC[C@@H]1C ZINC000354928889 287012708 /nfs/dbraw/zinc/01/27/08/287012708.db2.gz GLBXEKYLVWGJED-YYIAUSFCSA-N 2 0 309.498 2.628 20 0 DFADRP C[C@@H]1CC(C)(C)CC[C@H]1[NH2+]CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000360289781 287213831 /nfs/dbraw/zinc/21/38/31/287213831.db2.gz BIUAPEINPNNIIB-RHSMWYFYSA-N 2 0 321.509 2.534 20 0 DFADRP [NH3+]Cc1ccc(NC(=O)[C@H]2CCC[N@H+](Cc3ccccc3)C2)cc1 ZINC000131437687 196169023 /nfs/dbraw/zinc/16/90/23/196169023.db2.gz QUXCCPRASUKVDS-SFHVURJKSA-N 2 0 323.440 2.996 20 0 DFADRP CC[C@H]([NH2+]C[C@@H](C(C)C)N1CC[NH+](C)CC1)c1ccccc1 ZINC000132335695 196247278 /nfs/dbraw/zinc/24/72/78/196247278.db2.gz NBPJPLGWYYTPLZ-OALUTQOASA-N 2 0 303.494 2.999 20 0 DFADRP CC[C@H]([NH2+]C[C@H](C(C)C)N1CC[NH+](C)CC1)c1ccccc1 ZINC000132336070 196247383 /nfs/dbraw/zinc/24/73/83/196247383.db2.gz NBPJPLGWYYTPLZ-RBUKOAKNSA-N 2 0 303.494 2.999 20 0 DFADRP Cc1ccccc1[C@@H](C)[NH2+]C[C@H](C(C)C)N1CC[NH+](C)CC1 ZINC000132318231 196245145 /nfs/dbraw/zinc/24/51/45/196245145.db2.gz FBKIWNXUJDYHQR-IEBWSBKVSA-N 2 0 303.494 2.918 20 0 DFADRP CC(C)[C@@H](C[NH2+][C@H]1CCc2ccccc21)N1CC[NH+](C)CC1 ZINC000132329293 196246366 /nfs/dbraw/zinc/24/63/66/196246366.db2.gz ZJEIHSNIVKULHL-RBUKOAKNSA-N 2 0 301.478 2.536 20 0 DFADRP Cc1cccc2c1CC[C@@H]2[NH2+]C[C@@H](C(C)C)N1CC[NH+](C)CC1 ZINC000132418508 196254557 /nfs/dbraw/zinc/25/45/57/196254557.db2.gz PDJSSZZTEFRIBH-PMACEKPBSA-N 2 0 315.505 2.844 20 0 DFADRP CC[N@@H+]1CC[C@@H](N[C@@H]2C[C@H](C)[NH+](Cc3ccccc3)C2)[C@H](C)C1 ZINC000132977476 196301387 /nfs/dbraw/zinc/30/13/87/196301387.db2.gz NZHWDEOMENFHDE-PIKOESSRSA-N 2 0 315.505 2.969 20 0 DFADRP CCOc1cc(CCC[NH2+][C@@H]2CC[N@H+](C)C[C@@H]2C)ccc1OC ZINC000133907789 196345787 /nfs/dbraw/zinc/34/57/87/196345787.db2.gz VJCZKXFGLDFVQN-DOTOQJQBSA-N 2 0 320.477 2.956 20 0 DFADRP C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)Nc1cccc(C[NH3+])c1 ZINC000667731604 543668274 /nfs/dbraw/zinc/66/82/74/543668274.db2.gz YDGYTXMDERZRHF-ZNMIVQPWSA-N 2 0 318.465 2.633 20 0 DFADRP C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)Nc1cccc(C[NH3+])c1 ZINC000667731273 543668748 /nfs/dbraw/zinc/66/87/48/543668748.db2.gz OWAYHPGPPJKUAQ-OAHLLOKOSA-N 2 0 318.465 2.921 20 0 DFADRP C[C@H](CCNC(=O)Nc1cccc(C[NH3+])c1)[NH+]1CCCCC1 ZINC000667736554 543670559 /nfs/dbraw/zinc/67/05/59/543670559.db2.gz IFXIJKALQQCBAE-CQSZACIVSA-N 2 0 304.438 2.531 20 0 DFADRP CC[NH2+]Cc1ccccc1NC(=O)N[C@@H](C)C1CC[NH+](C)CC1 ZINC000667779167 543677137 /nfs/dbraw/zinc/67/71/37/543677137.db2.gz DMPCAKTWTYRAHN-AWEZNQCLSA-N 2 0 318.465 2.648 20 0 DFADRP CCCN(CCC[NH+](C)C)C(=O)Nc1cnc2c(C)cccn12 ZINC000667955538 543710916 /nfs/dbraw/zinc/71/09/16/543710916.db2.gz BENZLTPFPPWORE-UHFFFAOYSA-N 2 0 317.437 2.838 20 0 DFADRP C[C@@H]1[C@H]([NH2+][C@@H]2CO[C@@H](C3CC3)C2)CCN1Cc1ccccc1 ZINC000668174626 543759611 /nfs/dbraw/zinc/75/96/11/543759611.db2.gz SGQMZVRYEUHZKS-ZWQIFLOQSA-N 2 0 300.446 2.807 20 0 DFADRP COCCOc1ccc([C@@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc1 ZINC000295932667 225390863 /nfs/dbraw/zinc/39/08/63/225390863.db2.gz KYETUXIMWLQLPP-CCNLRDMRSA-N 2 0 318.461 2.988 20 0 DFADRP COCCC1C[NH+](Cc2ccc(OCC[NH+]3CCCC3)cc2)C1 ZINC000668472099 543811635 /nfs/dbraw/zinc/81/16/35/543811635.db2.gz CRJKWIUCPWEBQO-UHFFFAOYSA-N 2 0 318.461 2.630 20 0 DFADRP C[C@@H](CN(C)CCC[NH+](C)C)[NH2+]C[C@@H]1C[C@@H]1c1ccccc1 ZINC000668474554 543812407 /nfs/dbraw/zinc/81/24/07/543812407.db2.gz CIPJVTDCHPZZIH-YTQUADARSA-N 2 0 303.494 2.652 20 0 DFADRP C[C@H](C[N@@H+]1CCO[C@H](CCC[NH+](C)C)C1)c1ccc(F)cc1 ZINC000668785265 543867014 /nfs/dbraw/zinc/86/70/14/543867014.db2.gz OZGISHTVGQRCAC-CRAIPNDOSA-N 2 0 308.441 2.972 20 0 DFADRP C[C@H]1C[C@H]([NH2+]CC2CCN(c3cc[nH+]cc3)CC2)c2nccn21 ZINC000296670293 226107370 /nfs/dbraw/zinc/10/73/70/226107370.db2.gz FVKVQRBMPCWJLP-YOEHRIQHSA-N 2 0 311.433 2.790 20 0 DFADRP Cc1c[nH+]ccc1N(C)C[C@@H]1CCC[N@H+](C)[C@H]1c1cncn1C ZINC000671472172 544077816 /nfs/dbraw/zinc/07/78/16/544077816.db2.gz GXAIJKXLPWFCIN-MAUKXSAKSA-N 2 0 313.449 2.643 20 0 DFADRP C[N@@H+]1CC[C@H]([NH2+]C[C@@H]2OCCc3ccccc32)[C@H]2CCC[C@@H]21 ZINC000671752000 544106455 /nfs/dbraw/zinc/10/64/55/544106455.db2.gz KAYDXVMETPQGPE-XWSJACJDSA-N 2 0 300.446 2.763 20 0 DFADRP CCC[N@@H+]1CC[C@H](C[NH2+][C@H](C)c2ccc3[nH]c(=O)oc3c2)C1 ZINC000671742510 544105525 /nfs/dbraw/zinc/10/55/25/544105525.db2.gz DHKNACIIFPLSJK-CHWSQXEVSA-N 2 0 303.406 2.916 20 0 DFADRP CC(C)[C@H](C[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@H]21)c1ccnn1C ZINC000671762058 544107945 /nfs/dbraw/zinc/10/79/45/544107945.db2.gz VMARWWBQSYWFPM-NXOAAHMSSA-N 2 0 304.482 2.622 20 0 DFADRP C[C@@H]([NH2+]CC1(C)CC[NH+](C)CC1)c1ccc2[nH]c(=O)oc2c1 ZINC000671759895 544108039 /nfs/dbraw/zinc/10/80/39/544108039.db2.gz RBZUNTIOELTTKR-GFCCVEGCSA-N 2 0 303.406 2.916 20 0 DFADRP CCC[N@@H+]1CCC[C@H]1CNC(=O)c1ccc(C[NH+](CC)CC)o1 ZINC000672320688 544133528 /nfs/dbraw/zinc/13/35/28/544133528.db2.gz PZUNRPYVACDUEW-HNNXBMFYSA-N 2 0 321.465 2.726 20 0 DFADRP C[C@@H]([NH2+]Cc1c[nH]c2nccnc12)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000290971421 222039741 /nfs/dbraw/zinc/03/97/41/222039741.db2.gz XKSMJWWKMWFWAS-KGLIPLIRSA-N 2 0 313.449 2.701 20 0 DFADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@H]2CCN(c3ccccc3F)C2)[C@@H](C)C1 ZINC000291210836 222226106 /nfs/dbraw/zinc/22/61/06/222226106.db2.gz MSMYZRXVYRYQQJ-JZXOWHBKSA-N 2 0 319.468 2.972 20 0 DFADRP C[C@@H]([NH2+]CC[C@H](C)CCO)c1ccc(OCC[NH+](C)C)cc1 ZINC000297461270 227196799 /nfs/dbraw/zinc/19/67/99/227196799.db2.gz XVYDDCRVEWRYIW-JKSUJKDBSA-N 2 0 308.466 2.686 20 0 DFADRP CC[NH+](CC)Cc1ccc(C(=O)N[C@H]2C[N@@H+](C(C)C)C[C@H]2C)o1 ZINC000674965103 544280159 /nfs/dbraw/zinc/28/01/59/544280159.db2.gz MCTTYPBYHZHDOC-ZBFHGGJFSA-N 2 0 321.465 2.580 20 0 DFADRP CCCc1ccc(C[NH2+]CC2(O)CC[NH+](C(C)C)CC2)cc1 ZINC000675485133 544315343 /nfs/dbraw/zinc/31/53/43/544315343.db2.gz JCIVGNFKMLBFKC-UHFFFAOYSA-N 2 0 304.478 2.964 20 0 DFADRP Cc1ccsc1[C@@H](C)[NH2+][C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000675876212 544341239 /nfs/dbraw/zinc/34/12/39/544341239.db2.gz WLVPZJTYAGUGOK-CABCVRRESA-N 2 0 307.507 2.876 20 0 DFADRP C[C@H]([NH2+][C@H]1CCCN(c2ccccc2)C1=O)C1CC[NH+](C)CC1 ZINC000675884327 544341825 /nfs/dbraw/zinc/34/18/25/544341825.db2.gz SOZYACUASWJGMN-YJBOKZPZSA-N 2 0 315.461 2.502 20 0 DFADRP CC[C@@H]1CN(C(=O)C(C)C)CC[C@@H]1[NH2+]C1CC[NH+](C(C)C)CC1 ZINC000675915799 544344132 /nfs/dbraw/zinc/34/41/32/544344132.db2.gz ADJFBYLLSBKVJT-AEFFLSMTSA-N 2 0 323.525 2.732 20 0 DFADRP Cc1cccc2oc(CC[NH2+][C@H](C)C3CC[NH+](C)CC3)nc21 ZINC000675918714 544344357 /nfs/dbraw/zinc/34/43/57/544344357.db2.gz RWECFXKBPRIYFM-CQSZACIVSA-N 2 0 301.434 2.999 20 0 DFADRP CCO[C@@H]1CCC[N@H+](Cc2ccc(OCC[NH+](C)C)cc2)C1 ZINC000676414147 544375682 /nfs/dbraw/zinc/37/56/82/544375682.db2.gz PFDQGNNNTIEXCW-GOSISDBHSA-N 2 0 306.450 2.628 20 0 DFADRP C[NH+]1CCN(C(C)(C)C[NH2+][C@@H]2CCc3c2c(F)ccc3F)CC1 ZINC000677128868 544438065 /nfs/dbraw/zinc/43/80/65/544438065.db2.gz AJBPSDPFPCYVHH-MRXNPFEDSA-N 2 0 323.431 2.568 20 0 DFADRP C[C@H](CO)C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000678044269 544586856 /nfs/dbraw/zinc/58/68/56/544586856.db2.gz NVABFELHZMEBIU-WDSOQIARSA-N 2 0 302.462 2.601 20 0 DFADRP CC(C)[NH2+]C1CCN(Cc2ccc(OCC[NH+](C)C)cc2)CC1 ZINC000678225840 544623860 /nfs/dbraw/zinc/62/38/60/544623860.db2.gz VHKMJQYVWFTDMC-UHFFFAOYSA-N 2 0 319.493 2.589 20 0 DFADRP C[N@@H+]1CCC[C@@H]2C[NH+](C[C@@H]3CCOc4ccccc43)CC[C@H]21 ZINC000678340896 544654947 /nfs/dbraw/zinc/65/49/47/544654947.db2.gz SDHFYAYQJXKSGW-LZLYRXPVSA-N 2 0 300.446 2.969 20 0 DFADRP CCC[N@H+](C)C[C@H]1CCN(Cc2nn(C)c3ccccc23)C1 ZINC000678283346 544643712 /nfs/dbraw/zinc/64/37/12/544643712.db2.gz JKQUYTMXTGOAIC-OAHLLOKOSA-N 2 0 300.450 2.737 20 0 DFADRP COc1ccc(C[N@@H+]2CCCN(c3ccncc3F)CC2)cc1 ZINC000678788628 544721630 /nfs/dbraw/zinc/72/16/30/544721630.db2.gz KTZRUJROLFUDMX-UHFFFAOYSA-N 2 0 315.392 2.942 20 0 DFADRP CC(=O)N1CC[C@@H]([NH2+][C@@H](C)C2CC[NH+](C)CC2)c2ccccc21 ZINC000678607963 544702370 /nfs/dbraw/zinc/70/23/70/544702370.db2.gz BHBLJZKYWUIJMU-KBXCAEBGSA-N 2 0 315.461 2.804 20 0 DFADRP CC(C)[C@@H]([NH2+][C@H]1CCN(C2CC[NH+](C)CC2)C1)c1cccnc1 ZINC000678686350 544710565 /nfs/dbraw/zinc/71/05/65/544710565.db2.gz OXLVAIBYSKMEKS-PKOBYXMFSA-N 2 0 316.493 2.537 20 0 DFADRP C[C@H]1CCc2ccccc2[C@@H]1[NH2+]CCCC[NH+]1CCN(C)CC1 ZINC000678765869 544716769 /nfs/dbraw/zinc/71/67/69/544716769.db2.gz HLEOJKAXZKHESS-FXAWDEMLSA-N 2 0 315.505 2.927 20 0 DFADRP C[C@H]1CCc2ccccc2[C@H]1[NH2+]CCCN1CC[NH+](C)CC1 ZINC000678767296 544717779 /nfs/dbraw/zinc/71/77/79/544717779.db2.gz YTBPBAHAJMGADD-LPHOPBHVSA-N 2 0 301.478 2.537 20 0 DFADRP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@H]1c2ccccc2CC[C@@H]1C ZINC000678769418 544717970 /nfs/dbraw/zinc/71/79/70/544717970.db2.gz URCRCKOCLVKXDY-FRQCXROJSA-N 2 0 301.478 2.536 20 0 DFADRP C[C@H](C[NH2+][C@@H]1c2ccccc2CC[C@H]1C)CN1CC[NH+](C)CC1 ZINC000678769257 544718119 /nfs/dbraw/zinc/71/81/19/544718119.db2.gz QMUMTZJGCKNLBF-HLIPFELVSA-N 2 0 315.505 2.783 20 0 DFADRP CCC[NH+]1CCC([NH2+][C@H](C)c2ccc(-n3ccnn3)cc2)CC1 ZINC000678774575 544718952 /nfs/dbraw/zinc/71/89/52/544718952.db2.gz MQAZWPUIALLQGX-OAHLLOKOSA-N 2 0 313.449 2.792 20 0 DFADRP CCc1nc2ccccc2n1CC[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000679024735 544770206 /nfs/dbraw/zinc/77/02/06/544770206.db2.gz JHBRDHSETVJWNO-HZPDHXFCSA-N 2 0 312.461 2.815 20 0 DFADRP Cc1ccc(N[C@@H]2CC[N@H+](C)[C@H](C)C2)c(OCC[NH+](C)C)c1 ZINC000679148941 544792643 /nfs/dbraw/zinc/79/26/43/544792643.db2.gz WGFGIRUZRNKDSP-HZPDHXFCSA-N 2 0 305.466 2.830 20 0 DFADRP C[NH+](C)CCOc1ccc(C[N@H+](C)C[C@@H]2CCCC[C@@H]2O)cc1 ZINC000679359347 544841853 /nfs/dbraw/zinc/84/18/53/544841853.db2.gz BQUUDESOYIOEMI-HKUYNNGSSA-N 2 0 320.477 2.610 20 0 DFADRP Cc1[nH+]c2ccccc2c(N2CC[NH+](C(C)(C)CO)CC2)c1C ZINC000680056733 544951372 /nfs/dbraw/zinc/95/13/72/544951372.db2.gz XYBZBZGZXWVQLZ-UHFFFAOYSA-N 2 0 313.445 2.745 20 0 DFADRP c1ccc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH2+]C4CSC4)[C@H]3C2)cc1 ZINC000680334234 544992325 /nfs/dbraw/zinc/99/23/25/544992325.db2.gz KMFBAKVRZGQSCU-SZMVWBNQSA-N 2 0 302.487 2.992 20 0 DFADRP C[NH+](C)CCOc1ccc(C[NH2+][C@@]2(C)CCO[C@@H]2C2CC2)cc1 ZINC000680148595 544964210 /nfs/dbraw/zinc/96/42/10/544964210.db2.gz FFXSDCGEOJXPLE-MOPGFXCFSA-N 2 0 318.461 2.674 20 0 DFADRP C[C@@H]([NH2+]CCCc1cnn(C)c1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000680401424 545004742 /nfs/dbraw/zinc/00/47/42/545004742.db2.gz ZCVLUJUAJVNOTC-WBVHZDCISA-N 2 0 304.482 2.595 20 0 DFADRP C[C@@H]1C[N@@H+](CCCC[NH2+]Cc2cc(F)ccc2F)C[C@H](C)O1 ZINC000062252860 425899864 /nfs/dbraw/zinc/89/98/64/425899864.db2.gz PUORNFMCLZJNGV-OKILXGFUSA-N 2 0 312.404 2.944 20 0 DFADRP CC[NH+]1CCN([C@H](C)C[NH2+][C@H](C)c2ccc3c(c2)CCC3)CC1 ZINC000155611790 425923136 /nfs/dbraw/zinc/92/31/36/425923136.db2.gz XQJCCHLAAYCSQO-IAGOWNOFSA-N 2 0 315.505 2.852 20 0 DFADRP [NH3+]CCCOC1CCN(Cc2cc(F)ccc2Cl)CC1 ZINC000124546900 425925505 /nfs/dbraw/zinc/92/55/05/425925505.db2.gz RJIJLWKQCZCNFT-UHFFFAOYSA-N 2 0 300.805 2.809 20 0 DFADRP C[NH+](C)Cc1cccc(C(=O)NCC[N@H+](C)C2CCCCC2)c1 ZINC000155790691 425928083 /nfs/dbraw/zinc/92/80/83/425928083.db2.gz NZXZOWVRVVTCSH-UHFFFAOYSA-N 2 0 317.477 2.743 20 0 DFADRP C[C@H](CCN[C@H]1CC[N@H+](C)C[C@H]1C)[NH+](C)Cc1ccccc1 ZINC000156209740 425933947 /nfs/dbraw/zinc/93/39/47/425933947.db2.gz SKGLPIVQOKXOMS-LMMKCTJWSA-N 2 0 303.494 2.827 20 0 DFADRP CC(C)c1nc([C@H](C)[NH2+]C2CCN(CC[NH+](C)C)CC2)cs1 ZINC000186236252 267809809 /nfs/dbraw/zinc/80/98/09/267809809.db2.gz VGROADCMVQCMRE-AWEZNQCLSA-N 2 0 324.538 2.943 20 0 DFADRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+][C@@H]1CC(C)(C)Cc2occc21 ZINC000186586742 267823499 /nfs/dbraw/zinc/82/34/99/267823499.db2.gz NWAPUFFRYYQNPD-NVXWUHKLSA-N 2 0 319.493 2.909 20 0 DFADRP CC[N@@H+]1CC[C@@H](C[NH2+]Cc2cc(Br)cs2)C1 ZINC000037484291 425848229 /nfs/dbraw/zinc/84/82/29/425848229.db2.gz XDNYKDQSJHCEHO-JTQLQIEISA-N 2 0 303.269 2.942 20 0 DFADRP Cc1ccc(C[C@@H](CO)[NH2+]C2CC[NH+](C(C)(C)C)CC2)cc1 ZINC000191586681 268006357 /nfs/dbraw/zinc/00/63/57/268006357.db2.gz JWTAZFIMHMHSOB-SFHVURJKSA-N 2 0 304.478 2.751 20 0 DFADRP COc1ccc(C[NH+]2CCC(C[NH2+]Cc3cocn3)CC2)cc1 ZINC000192299901 268029232 /nfs/dbraw/zinc/02/92/32/268029232.db2.gz VUEFBKRVIFVXSX-UHFFFAOYSA-N 2 0 315.417 2.685 20 0 DFADRP CC(C)[NH+]1CCN(CCC[N@@H+]2C[C@@H](C)[C@H]3CCCC[C@@H]32)CC1 ZINC000192794057 268047947 /nfs/dbraw/zinc/04/79/47/268047947.db2.gz RMSOVXWODOKRKQ-QRVBRYPASA-N 2 0 307.526 2.913 20 0 DFADRP OC(C[NH+]1C[C@@H]2CCCC[C@@H]2C1)C[N@H+]1C[C@@H]2CCCC[C@@H]2C1 ZINC000194613787 268109526 /nfs/dbraw/zinc/10/95/26/268109526.db2.gz KAEOMULSUNOGSK-USTZCAOPSA-N 2 0 306.494 2.591 20 0 DFADRP C[C@H](CC[NH2+][C@@H](C)CCN1CC[NH+](C)CC1)c1ccccc1 ZINC000194716645 268113397 /nfs/dbraw/zinc/11/33/97/268113397.db2.gz SYZRXZHSGYHSMS-MSOLQXFVSA-N 2 0 303.494 2.796 20 0 DFADRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+]CC[C@H](C)c1ccccc1 ZINC000194716660 268113436 /nfs/dbraw/zinc/11/34/36/268113436.db2.gz SYZRXZHSGYHSMS-ZWKOTPCHSA-N 2 0 303.494 2.796 20 0 DFADRP [NH3+][C@@H]1CCCCCC[C@@H]1C(=O)NCCC[NH+]1CCCCCC1 ZINC000237862556 268160654 /nfs/dbraw/zinc/16/06/54/268160654.db2.gz VFLHVBKWTTVOQE-DLBZAZTESA-N 2 0 309.498 2.666 20 0 DFADRP COc1ccc(C[NH2+]C[C@@H]2CCC[NH2+]C2)cc1Br ZINC000259178457 268168678 /nfs/dbraw/zinc/16/86/78/268168678.db2.gz ZBUZGTPEPWRJHT-GFCCVEGCSA-N 2 0 313.239 2.547 20 0 DFADRP C[C@@H](CC(N)=O)[NH2+]Cc1ccc(C[NH+]2C[C@H](C)C[C@@H](C)C2)cc1 ZINC000267258827 268180383 /nfs/dbraw/zinc/18/03/83/268180383.db2.gz PUBRSUCDUCTRME-OAGGEKHMSA-N 2 0 317.477 2.518 20 0 DFADRP C[C@@H]1CCC[C@H](C)N1C(=O)C[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000047969071 425872620 /nfs/dbraw/zinc/87/26/20/425872620.db2.gz AMHRSBDHCGCPCS-CALCHBBNSA-N 2 0 321.509 2.584 20 0 DFADRP C[NH+](C)CCCOc1cnccc1C[NH2+]Cc1cccs1 ZINC000288486397 268278927 /nfs/dbraw/zinc/27/89/27/268278927.db2.gz GZGJGNKYVYYTSA-UHFFFAOYSA-N 2 0 305.447 2.763 20 0 DFADRP CCC[C@H](O)C[N@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000296361325 268303006 /nfs/dbraw/zinc/30/30/06/268303006.db2.gz RWMWPAPCSGUZTL-SFHVURJKSA-N 2 0 305.466 2.781 20 0 DFADRP COC(=O)c1ccc([C@@H](C)[NH+]2CCC(C[NH+]3CCCC3)CC2)o1 ZINC000103143645 425938063 /nfs/dbraw/zinc/93/80/63/425938063.db2.gz XQQXVAXOEQKFJR-CQSZACIVSA-N 2 0 320.433 2.935 20 0 DFADRP c1ccc(C[NH+]2CCC(N[C@@H]3CC[N@@H+]4CCC[C@H]4C3)CC2)cc1 ZINC000309930812 268336758 /nfs/dbraw/zinc/33/67/58/268336758.db2.gz ZBGNIQPCRAAUQE-UXHICEINSA-N 2 0 313.489 2.867 20 0 DFADRP CC[N@@H+]1CC[C@H](C[NH2+][C@@H](C)CCCNC(=O)OC(C)(C)C)C1 ZINC000309976210 268336829 /nfs/dbraw/zinc/33/68/29/268336829.db2.gz RGTPIFVWAXCUBD-LSDHHAIUSA-N 2 0 313.486 2.611 20 0 DFADRP CC(C)(C)[C@H](O)C[N@@H+]1C[C@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000310029095 268337398 /nfs/dbraw/zinc/33/73/98/268337398.db2.gz WUDQFZIGCKOWPM-CEXWTWQISA-N 2 0 316.489 2.847 20 0 DFADRP CC[C@@H]([NH2+]CCc1cn(C)cn1)c1ccc(OC)c(OC)c1 ZINC000313293382 268339453 /nfs/dbraw/zinc/33/94/53/268339453.db2.gz ISXXSOLPOBUYHD-OAHLLOKOSA-N 2 0 303.406 2.721 20 0 DFADRP Cc1ccc(-c2noc(C[NH+]3CCC([C@@H](C)[NH3+])CC3)n2)cc1 ZINC000316034747 268344876 /nfs/dbraw/zinc/34/48/76/268344876.db2.gz MGRVQEZXOOPZFJ-CYBMUJFWSA-N 2 0 300.406 2.604 20 0 DFADRP Cc1ccc([C@H]([NH3+])C(=O)N2CCC(C[N@@H+](C)C(C)C)CC2)cc1 ZINC000323175069 268349346 /nfs/dbraw/zinc/34/93/46/268349346.db2.gz BLTWMHICTJJPSZ-SFHVURJKSA-N 2 0 317.477 2.574 20 0 DFADRP CC(C)[C@@H](C[NH2+][C@H]1CCCC12CCCC2)N1CC[NH+](C)CC1 ZINC000328143836 268351344 /nfs/dbraw/zinc/35/13/44/268351344.db2.gz CMODZLDSWNGFAX-MSOLQXFVSA-N 2 0 307.526 2.961 20 0 DFADRP Cc1nn2c(CN3CC[C@H](C)[C@@H](C[NH3+])C3)c(C(C)C)nc2s1 ZINC000333112626 268375560 /nfs/dbraw/zinc/37/55/60/268375560.db2.gz GTSTZWDIUBWJGQ-AAEUAGOBSA-N 2 0 321.494 2.639 20 0 DFADRP CC(C)c1nnc2n1C[C@@H]([NH2+][C@H](C)C[C@@H]1CCCCC[NH2+]1)CC2 ZINC000333231028 268384829 /nfs/dbraw/zinc/38/48/29/268384829.db2.gz BZJMITBGEDXERI-PMPSAXMXSA-N 2 0 319.497 2.617 20 0 DFADRP CC[C@H](c1ccccc1)[N@@H+]1CC[C@H](N2CC[NH+](CC)CC2)C1 ZINC000107368287 425990085 /nfs/dbraw/zinc/99/00/85/425990085.db2.gz LKHAWDIIBVZRGN-RBUKOAKNSA-N 2 0 301.478 2.850 20 0 DFADRP C[C@@H](CCC[NH3+])[NH2+]Cc1cc(Br)cc2c1OCC2 ZINC000336791951 268434956 /nfs/dbraw/zinc/43/49/56/268434956.db2.gz PUVPQSYXYGBHDV-JTQLQIEISA-N 2 0 313.239 2.601 20 0 DFADRP CCCCN(CCCC)C(=O)CN1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000158525077 425943730 /nfs/dbraw/zinc/94/37/30/425943730.db2.gz DNMUHMIAJRQLHX-QZTJIDSGSA-N 2 0 323.525 2.831 20 0 DFADRP C[C@@H](c1ccc([S@](C)=O)cc1)N(C)CC[C@@H]1CCC[N@@H+]1C ZINC000124908364 425944803 /nfs/dbraw/zinc/94/48/03/425944803.db2.gz VCGHUGUDXLZQGY-WDUKFBBWSA-N 2 0 308.491 2.901 20 0 DFADRP C[C@@H]1CCC[C@H](C)[N@H+]1CC(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000158765489 425946993 /nfs/dbraw/zinc/94/69/93/425946993.db2.gz SAVIXTQJOQDHDB-SOLBZPMBSA-N 2 0 317.477 2.668 20 0 DFADRP C[C@@H]1CC[C@@H](C)[N@H+](CC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC000158756569 425947510 /nfs/dbraw/zinc/94/75/10/425947510.db2.gz RTAYCSFJPGMDCC-NUJGCVRESA-N 2 0 317.477 2.526 20 0 DFADRP C[C@H]1CCCC[N@@H+]1CCC1CC[NH+](CCN2CCCC2=O)CC1 ZINC000158845604 425948815 /nfs/dbraw/zinc/94/88/15/425948815.db2.gz TUSRGUBGYNFGCP-KRWDZBQOSA-N 2 0 321.509 2.585 20 0 DFADRP c1ccc(C[NH+]2CCSCC2)c(C[NH+]2CCSCC2)c1 ZINC000103467383 425949128 /nfs/dbraw/zinc/94/91/28/425949128.db2.gz NTIZHDIFZRSICS-UHFFFAOYSA-N 2 0 308.516 2.784 20 0 DFADRP CCCOc1ccc(C[NH2+][C@H]2CC[N@H+](C)C[C@@H]2C)cc1OC ZINC000105480512 425968239 /nfs/dbraw/zinc/96/82/39/425968239.db2.gz KQNGFDNVWHAYSJ-HOCLYGCPSA-N 2 0 306.450 2.914 20 0 DFADRP CC(C)[N@@H+]1CCCC[C@H]1C(=O)N1CCC([NH+]2CCC[C@H]2C)CC1 ZINC000125417880 425970760 /nfs/dbraw/zinc/97/07/60/425970760.db2.gz FQAPGUSJBBXVRF-AEFFLSMTSA-N 2 0 321.509 2.725 20 0 DFADRP c1nc(CC[NH2+]C2CC[NH+](CCc3ccccc3)CC2)cs1 ZINC000108942194 426024625 /nfs/dbraw/zinc/02/46/25/426024625.db2.gz QAYVFBJNUYOUCY-UHFFFAOYSA-N 2 0 315.486 2.982 20 0 DFADRP CC[N@@H+]1CC[C@H]([NH2+]CCCn2cnc3ccccc32)[C@H](C)C1 ZINC000161544552 426028137 /nfs/dbraw/zinc/02/81/37/426028137.db2.gz CVWASGWDYBWCLM-CVEARBPZSA-N 2 0 300.450 2.746 20 0 DFADRP C[C@@H]([NH2+]Cc1ccc(CN2CC[NH+](C)CC2)cc1)C(C)(C)C ZINC000126729264 426034709 /nfs/dbraw/zinc/03/47/09/426034709.db2.gz IKFWUHAPTRGOSN-MRXNPFEDSA-N 2 0 303.494 2.958 20 0 DFADRP COC[C@@H]([NH2+]C[C@H]1CCCN(Cc2cccs2)C1)C1CC1 ZINC000126910982 426042060 /nfs/dbraw/zinc/04/20/60/426042060.db2.gz QMXOIAJTZGCZAO-RHSMWYFYSA-N 2 0 308.491 2.975 20 0 DFADRP CC(C)[NH+](CCCNC(=O)c1ccc(C[NH+](C)C)cc1)C(C)C ZINC000074335704 426046309 /nfs/dbraw/zinc/04/63/09/426046309.db2.gz CQSDUGXHKNQQKB-UHFFFAOYSA-N 2 0 319.493 2.987 20 0 DFADRP C[C@@H]([NH2+]CCCn1cccn1)c1cccc(OCC[NH+](C)C)c1 ZINC000127027494 426047300 /nfs/dbraw/zinc/04/73/00/426047300.db2.gz GUXAUVWGQZSZMR-MRXNPFEDSA-N 2 0 316.449 2.564 20 0 DFADRP CCC[C@H](C(=O)NCC(C)(C)[NH2+][C@H](C)c1ccccc1)[NH+](C)C ZINC000161996885 426048118 /nfs/dbraw/zinc/04/81/18/426048118.db2.gz LKVNIRAOYMRLOZ-NVXWUHKLSA-N 2 0 319.493 2.962 20 0 DFADRP Cc1cc([C@@H](C)[NH2+]CCCN2CC[NH+](C)CC2)cc(C)c1F ZINC000162586205 426069897 /nfs/dbraw/zinc/06/98/97/426069897.db2.gz YNENQQJWEWJAFC-MRXNPFEDSA-N 2 0 307.457 2.731 20 0 DFADRP C[C@@H]([NH2+]CC1CC[NH+](C)CC1)c1cccc(OCC[NH+](C)C)c1 ZINC000126242036 426011000 /nfs/dbraw/zinc/01/10/00/426011000.db2.gz YRWAAMYRFKOMJR-MRXNPFEDSA-N 3 0 319.493 2.619 20 0 DFADRP C[C@H]([NH2+]CC1CC[NH+](C)CC1)c1cccc(N2CCCC2=O)c1 ZINC000126293652 426013087 /nfs/dbraw/zinc/01/30/87/426013087.db2.gz DEPHOAXBHQCXSQ-HNNXBMFYSA-N 2 0 315.461 2.806 20 0 DFADRP CC(C)(C)C[NH2+]Cc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000108420600 426016863 /nfs/dbraw/zinc/01/68/63/426016863.db2.gz WBBDJYKQPVYBPX-KRWDZBQOSA-N 2 0 317.477 2.520 20 0 DFADRP CCO[C@H](CC[NH+](C)C)C[NH2+]Cc1cc2cc(OC)ccc2o1 ZINC000126483526 426021715 /nfs/dbraw/zinc/02/17/15/426021715.db2.gz QPKFRYIZYUAZHR-MRXNPFEDSA-N 2 0 320.433 2.888 20 0 DFADRP CC[N@@H+]1CC[C@H](C[NH2+][C@@H](C)c2ccc(OC)c(NC(C)=O)c2)C1 ZINC000163286046 426095678 /nfs/dbraw/zinc/09/56/78/426095678.db2.gz QZMFJDMNKARTOP-DZGCQCFKSA-N 2 0 319.449 2.646 20 0 DFADRP CC[NH+](CC)CCC[C@H](C)NC(=O)C[C@H](C)C1CC[NH2+]CC1 ZINC000163429985 426099268 /nfs/dbraw/zinc/09/92/68/426099268.db2.gz SRMQNYMPUYYLSR-HOTGVXAUSA-N 2 0 311.514 2.639 20 0 DFADRP C[N@H+](C[C@@H]1CC[NH+](Cc2ccccc2)C1)CC1CCOCC1 ZINC000076109624 426101243 /nfs/dbraw/zinc/10/12/43/426101243.db2.gz YEOODEKBJPCSJE-IBGZPJMESA-N 2 0 302.462 2.867 20 0 DFADRP CC(C)(C)[C@H]1CCCC[C@H]1[NH2+]CCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000128116861 426102794 /nfs/dbraw/zinc/10/27/94/426102794.db2.gz YRONTCHUSUWNBH-YESZJQIVSA-N 2 0 323.525 2.768 20 0 DFADRP C[C@@H]([NH2+]CCN1CCCCC1)c1cccc(OCC[NH+](C)C)c1 ZINC000128233378 426107771 /nfs/dbraw/zinc/10/77/71/426107771.db2.gz PMFYXOKXILKDGU-QGZVFWFLSA-N 2 0 319.493 2.764 20 0 DFADRP CCOc1cccc(C[N@@H+]2CC[C@@H](CNc3ccccn3)C2)n1 ZINC000128252835 426109074 /nfs/dbraw/zinc/10/90/74/426109074.db2.gz IAYFMXFZQJQFJL-HNNXBMFYSA-N 2 0 312.417 2.809 20 0 DFADRP CCc1ccc([C@H](C)[NH2+]CCCN2CCC[N@H+](C)CC2)cc1 ZINC000128260106 426109945 /nfs/dbraw/zinc/10/99/45/426109945.db2.gz XJMFGWWVYMMZIV-KRWDZBQOSA-N 2 0 303.494 2.927 20 0 DFADRP C[C@H]([NH2+]CCCN1CCC[N@H+](C)CC1)c1cc(F)ccc1F ZINC000128262780 426110461 /nfs/dbraw/zinc/11/04/61/426110461.db2.gz HZSGFWLRQWPMGM-AWEZNQCLSA-N 2 0 311.420 2.643 20 0 DFADRP C[C@H]([NH2+]CCCN1CCC[N@H+](C)CC1)c1ccc2c(c1)CCC2 ZINC000128301565 426111452 /nfs/dbraw/zinc/11/14/52/426111452.db2.gz HKAZAMTZXPBVSZ-KRWDZBQOSA-N 2 0 315.505 2.854 20 0 DFADRP CC[N@@H+]1CC[C@H](CNC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000076458385 426111840 /nfs/dbraw/zinc/11/18/40/426111840.db2.gz CHNCJTOESAIWKP-GOSISDBHSA-N 2 0 301.478 2.582 20 0 DFADRP C[C@H]1C[C@@H]([NH2+]CC(C)(C)NC(=O)OC(C)(C)C)CN1C1CC1 ZINC000164099715 426112109 /nfs/dbraw/zinc/11/21/09/426112109.db2.gz YXYBEJDCWQNWPJ-QWHCGFSZSA-N 2 0 311.470 2.505 20 0 DFADRP Cc1ccccc1C[C@H](C)[NH2+]CCCN1CCC[N@H+](C)CC1 ZINC000128466878 426118690 /nfs/dbraw/zinc/11/86/90/426118690.db2.gz PVCVIODFJLUZRH-SFHVURJKSA-N 2 0 303.494 2.543 20 0 DFADRP CC(C)[C@@H]([NH3+])CC[N@H+](C)CCC(=O)Nc1ccccc1Cl ZINC000128472219 426119039 /nfs/dbraw/zinc/11/90/39/426119039.db2.gz OBFSIZCQEHKSOW-AWEZNQCLSA-N 2 0 311.857 2.974 20 0 DFADRP CC(C)[NH2+]CCC(=O)NC[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000165895892 426124315 /nfs/dbraw/zinc/12/43/15/426124315.db2.gz UCXMMVMGINYUCP-GOSISDBHSA-N 2 0 317.477 2.545 20 0 DFADRP COC[C@@H]([NH2+][C@H](C)c1cccc(OCC[NH+](C)C)c1)C(C)C ZINC000165898295 426124818 /nfs/dbraw/zinc/12/48/18/426124818.db2.gz MTXVDNRCQGKNMS-CRAIPNDOSA-N 2 0 308.466 2.949 20 0 DFADRP C[C@H]1C[C@@H](N[C@H]2CC[NH+](C)[C@H](C)C2)C[N@@H+]1Cc1ccccc1 ZINC000166337476 426126631 /nfs/dbraw/zinc/12/66/31/426126631.db2.gz AZPRWTRAZHBWOO-KCITZHQASA-N 2 0 301.478 2.722 20 0 DFADRP Cc1ccc2c(c1)[C@@H]([NH2+]C[C@H](C)N1CC[NH+](C)CC1)CCC2 ZINC000166507645 426128593 /nfs/dbraw/zinc/12/85/93/426128593.db2.gz PURWRBKISVODED-LPHOPBHVSA-N 2 0 301.478 2.598 20 0 DFADRP CC[NH+](CC)[C@@H](CNC(=O)[C@]1(CC)CCC[NH2+]1)c1ccccc1 ZINC000128688307 426129290 /nfs/dbraw/zinc/12/92/90/426129290.db2.gz PETJOLUBBVHKNB-HKUYNNGSSA-N 2 0 317.477 2.718 20 0 DFADRP CC(C)[C@H](Cc1ccc(F)cc1)[NH2+]C[C@@H](C)N1CC[NH+](C)CC1 ZINC000127575164 426073412 /nfs/dbraw/zinc/07/34/12/426073412.db2.gz FSPPFBQORGDNSK-APWZRJJASA-N 2 0 321.484 2.618 20 0 DFADRP CC(C)[C@H](C[NH2+]C[C@H](C)c1ccc(F)cc1)N1CC[NH+](C)CC1 ZINC000127578974 426074255 /nfs/dbraw/zinc/07/42/55/426074255.db2.gz JTQQMFVZCLNPFF-LPHOPBHVSA-N 2 0 321.484 2.791 20 0 DFADRP Cc1ccccc1NC(=O)CC[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000162823733 426078962 /nfs/dbraw/zinc/07/89/62/426078962.db2.gz RLFXKAIIVBLICJ-AEFFLSMTSA-N 2 0 315.461 2.740 20 0 DFADRP C[C@@H](C[NH2+][C@@H](C)c1cnc2ccsc2c1)N1CC[NH+](C)CC1 ZINC000127694905 426080472 /nfs/dbraw/zinc/08/04/72/426080472.db2.gz XVEDKFYXIZMLEF-KBPBESRZSA-N 2 0 318.490 2.583 20 0 DFADRP C[C@@H](C[NH2+][C@@H]1CCCCc2ccccc21)N1CC[NH+](C)CC1 ZINC000127702289 426081160 /nfs/dbraw/zinc/08/11/60/426081160.db2.gz RLGCJFBCQMHQIJ-QFBILLFUSA-N 2 0 301.478 2.680 20 0 DFADRP C[C@H]1C[N@H+](C)CC[C@@H]1[NH2+]Cc1ccc(C[NH+]2CCCC2)cc1 ZINC000162918028 426082469 /nfs/dbraw/zinc/08/24/69/426082469.db2.gz PUODEXNYOHJQKR-LPHOPBHVSA-N 2 0 301.478 2.712 20 0 DFADRP O=C(NCC[NH+]1CCCC1)c1ccc(C[NH2+]C2CCCC2)cc1 ZINC000130184801 426150152 /nfs/dbraw/zinc/15/01/52/426150152.db2.gz IRVNQEIEHNRSAF-UHFFFAOYSA-N 2 0 315.461 2.544 20 0 DFADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]CCc1cnn(-c2ccccc2)c1 ZINC000130390298 426158104 /nfs/dbraw/zinc/15/81/04/426158104.db2.gz NCNNQFPUIAGKBY-GPMSIDNRSA-N 2 0 312.461 2.733 20 0 DFADRP Cc1cccc(NC[C@H]2CCN(Cc3nnc(C(C)C)o3)C2)[nH+]1 ZINC000171138992 426172510 /nfs/dbraw/zinc/17/25/10/426172510.db2.gz ANDOOAVXIXDUDH-CQSZACIVSA-N 2 0 315.421 2.830 20 0 DFADRP CC1=CCC[C@H](C)[C@H]1C[NH2+]CC1CC[NH+](CCN(C)C)CC1 ZINC000134155441 426186227 /nfs/dbraw/zinc/18/62/27/426186227.db2.gz POMMPOCRGLWIMN-HKUYNNGSSA-N 2 0 307.526 2.842 20 0 DFADRP CC[C@@]1(C(=O)NCc2cccc(C[N@H+](C)C(C)C)c2)CCC[NH2+]1 ZINC000134580627 426188297 /nfs/dbraw/zinc/18/82/97/426188297.db2.gz CQSBZMUJXSCRDN-IBGZPJMESA-N 2 0 317.477 2.675 20 0 DFADRP CC[NH+]1CCN([C@H](C)C[NH2+][C@@H](C)c2ccc(F)c(F)c2)CC1 ZINC000173321960 426238453 /nfs/dbraw/zinc/23/84/53/426238453.db2.gz GODFXYNQFSDGLY-KGLIPLIRSA-N 2 0 311.420 2.641 20 0 DFADRP CC[NH+]1CCN([C@@H]2CC[N@@H+]([C@@H](C)c3cccc(C)c3)C2)CC1 ZINC000173709028 426245767 /nfs/dbraw/zinc/24/57/67/426245767.db2.gz CYRJOLLXVBUXHK-PKOBYXMFSA-N 2 0 301.478 2.768 20 0 DFADRP C/C(=C\c1ccc(Cl)cc1)C[NH2+]C[C@@H](C)N1CC[NH+](C)CC1 ZINC000119088714 426261440 /nfs/dbraw/zinc/26/14/40/426261440.db2.gz NAHGPFCBTHWFRL-ASNKMWSDSA-N 2 0 321.896 2.969 20 0 DFADRP COc1ccc(OCCC[N@@H+]2CC[C@@H](C[NH+]3CCCC3)C2)cc1 ZINC000150824261 426263199 /nfs/dbraw/zinc/26/31/99/426263199.db2.gz GBMDAQHRTMKXCK-KRWDZBQOSA-N 2 0 318.461 2.882 20 0 DFADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1NC[C@@H]1CCC[NH+]1Cc1ccccc1 ZINC000119113352 426264252 /nfs/dbraw/zinc/26/42/52/426264252.db2.gz JVPHIVISLZFTGN-UMGGQSCQSA-N 2 0 315.505 2.969 20 0 DFADRP CN(CCC[NH+]1CCCC1)Cc1nccn1Cc1ccccc1 ZINC000119129655 426265228 /nfs/dbraw/zinc/26/52/28/426265228.db2.gz ZUBVCXQAPPEEJA-UHFFFAOYSA-N 2 0 312.461 2.849 20 0 DFADRP C[C@H]([NH2+]C1CCN(CC[NH+](C)C)CC1)c1cc(F)ccc1F ZINC000150952271 426269526 /nfs/dbraw/zinc/26/95/26/426269526.db2.gz QVYMFJWSMSWBSD-ZDUSSCGKSA-N 2 0 311.420 2.641 20 0 DFADRP Cc1ccc(C)c([C@@H](C)[NH2+]C2CCN(CC[NH+](C)C)CC2)c1 ZINC000150960511 426269602 /nfs/dbraw/zinc/26/96/02/426269602.db2.gz UHMWOLDOAOZXFE-QGZVFWFLSA-N 2 0 303.494 2.980 20 0 DFADRP C[NH+](C)CCN1CCC([NH2+][C@@H]2CCc3cc(Cl)ccc32)CC1 ZINC000150993951 426271600 /nfs/dbraw/zinc/27/16/00/426271600.db2.gz CBVHTITWDKYAAL-GOSISDBHSA-N 2 0 321.896 2.943 20 0 DFADRP CC(=O)N1CCC(C[NH2+]C2CC[NH+](C3CCCCC3)CC2)CC1 ZINC000151032143 426272985 /nfs/dbraw/zinc/27/29/85/426272985.db2.gz WKZLCAJNJMXJDN-UHFFFAOYSA-N 2 0 321.509 2.632 20 0 DFADRP Cc1ccc(NC(=O)[C@H](C)N(C)C[C@@H]2CCC[N@H+](C)C2)c(F)c1 ZINC000152351217 426339856 /nfs/dbraw/zinc/33/98/56/426339856.db2.gz KPTQTCQHAGYODG-LSDHHAIUSA-N 2 0 321.440 2.735 20 0 DFADRP C[C@H]([NH2+]C[C@H]1CCC[N@H+](C)C1)c1ccc2c(c1)OCCCO2 ZINC000121222580 426325954 /nfs/dbraw/zinc/32/59/54/426325954.db2.gz CNWFTWAZQVBCBM-LSDHHAIUSA-N 2 0 304.434 2.840 20 0 DFADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1[NH2+]Cc1ccc(Cn2ccnc2)cc1 ZINC000152104561 426326985 /nfs/dbraw/zinc/32/69/85/426326985.db2.gz TUFONLWTNSNCRV-GJYPPUQNSA-N 2 0 312.461 2.750 20 0 DFADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]CCCn1cnc2ccccc21 ZINC000121238719 426327234 /nfs/dbraw/zinc/32/72/34/426327234.db2.gz BGMOXBHYTJEGEV-BFYDXBDKSA-N 2 0 300.450 2.745 20 0 DFADRP CC[N@H+](C)C[C@@H]1CC[NH+](CCN2CCCc3ccccc32)C1 ZINC000090551757 426327974 /nfs/dbraw/zinc/32/79/74/426327974.db2.gz HIHPPMCPCPNZPA-KRWDZBQOSA-N 2 0 301.478 2.713 20 0 DFADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1[NH2+]C[C@H](O)c1ccc(Cl)c(F)c1 ZINC000090936172 426332811 /nfs/dbraw/zinc/33/28/11/426332811.db2.gz XNHRWXMRJZXOPD-CJTUPEFNSA-N 2 0 314.832 2.831 20 0 DFADRP Cc1cc(NC[C@@H](O)C[NH+]2CCCCC2)c2cc(F)ccc2[nH+]1 ZINC000121336932 426335009 /nfs/dbraw/zinc/33/50/09/426335009.db2.gz UNILGGUYSVVNAG-OAHLLOKOSA-N 2 0 317.408 2.941 20 0 DFADRP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@@H](C)c2cccc(F)c2)CC1 ZINC000121345462 426336158 /nfs/dbraw/zinc/33/61/58/426336158.db2.gz PVRYFHUYJOEKBE-CVEARBPZSA-N 2 0 307.457 2.750 20 0 DFADRP C[NH+](C)Cc1cccc(NC(=O)N[C@@H]2CCC[C@H]([NH+](C)C)C2)c1 ZINC000175159214 426283627 /nfs/dbraw/zinc/28/36/27/426283627.db2.gz DGLOUKJZKXPCBF-SJORKVTESA-N 2 0 318.465 2.743 20 0 DFADRP C[N@H+](CCn1ccnc1)Cc1ccc(Br)s1 ZINC000122814291 426396077 /nfs/dbraw/zinc/39/60/77/426396077.db2.gz QTMVGAGJSRFBRV-UHFFFAOYSA-N 2 0 300.225 2.839 20 0 DFADRP CC[C@@H]1CN(CC(=O)Nc2cccc(Cl)c2C)CC[C@@H]1[NH3+] ZINC000122836545 426397766 /nfs/dbraw/zinc/39/77/66/426397766.db2.gz KNGIBYOOISLPPW-OCCSQVGLSA-N 2 0 309.841 2.646 20 0 DFADRP Cc1ccccc1NC(=O)C[N@H+]1CC[C@H](C)[C@H](n2ccnc2)C1 ZINC000122862622 426398674 /nfs/dbraw/zinc/39/86/74/426398674.db2.gz UETGOPUDZZWKKF-DOTOQJQBSA-N 2 0 312.417 2.713 20 0 DFADRP Cc1ccc([C@H]([NH2+][C@@H](C)CN2CC[NH+](C)CC2)C2CC2)cc1 ZINC000091334715 426341921 /nfs/dbraw/zinc/34/19/21/426341921.db2.gz IJCMDRXTODGOEN-LPHOPBHVSA-N 2 0 301.478 2.672 20 0 DFADRP C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000176004041 426345097 /nfs/dbraw/zinc/34/50/97/426345097.db2.gz KSRXYVPEWIMOJJ-PBHICJAKSA-N 2 0 318.465 2.552 20 0 DFADRP Cc1c(Cl)cccc1NC(=O)CC[NH2+][C@@H]1CC[N@@H+](C)C[C@@H]1C ZINC000152655336 426348849 /nfs/dbraw/zinc/34/88/49/426348849.db2.gz DREWNZNICYQTSZ-SWLSCSKDSA-N 2 0 323.868 2.907 20 0 DFADRP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCN(c3ccc(F)cc3)C2)CC[N@@H+]1C ZINC000152769318 426352801 /nfs/dbraw/zinc/35/28/01/426352801.db2.gz HXXGADDQAFIHTP-HLLBOEOZSA-N 2 0 305.441 2.724 20 0 DFADRP FC(F)(F)CCCC[N@@H+]1CCC[C@@H](CN2CCOCC2)C1 ZINC000153520927 426389746 /nfs/dbraw/zinc/38/97/46/426389746.db2.gz RRIPQUKMMRXGPG-CQSZACIVSA-N 2 0 308.388 2.763 20 0 DFADRP Cc1ccc([C@H](CN[C@@H]2CC[N@@H+](C)C[C@@H]2C)[NH+]2CCCC2)o1 ZINC000154030558 426419910 /nfs/dbraw/zinc/41/99/10/426419910.db2.gz MJRKKOJOPLBJTH-UAGQMJEPSA-N 2 0 305.466 2.655 20 0 DFADRP COc1ccc(OCCC[N@H+](C)[C@@H]2CCN(C)[C@H](C)C2)cc1 ZINC000123449328 426434434 /nfs/dbraw/zinc/43/44/34/426434434.db2.gz SEGFXEJLFKTXPH-HZPDHXFCSA-N 2 0 306.450 2.879 20 0 DFADRP CC(C)C[C@@H]1CCCC[N@@H+]1CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000123549287 426440249 /nfs/dbraw/zinc/44/02/49/426440249.db2.gz MHRGCILVHNFFTR-SFHVURJKSA-N 2 0 321.509 2.630 20 0 DFADRP CCN1CC[NH+](CCCC[NH2+][C@@H]2c3ccccc3C[C@@H]2C)CC1 ZINC000154478318 426442968 /nfs/dbraw/zinc/44/29/68/426442968.db2.gz PLKCHVKMTQSSSO-PXNSSMCTSA-N 2 0 315.505 2.927 20 0 DFADRP CCC(CC)[N@H+](CCOC)Cc1ccc(-n2ccnc2)nc1 ZINC000177114381 426444646 /nfs/dbraw/zinc/44/46/46/426444646.db2.gz FOOBJBARRIYWJQ-UHFFFAOYSA-N 2 0 302.422 2.904 20 0 DFADRP CCC[NH+](CCC)CCCC(=O)N[C@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000177216926 426455537 /nfs/dbraw/zinc/45/55/37/426455537.db2.gz SHXHNFMVYGMDPI-CVEARBPZSA-N 2 0 309.498 2.630 20 0 DFADRP C[C@H]([NH2+]C[C@H](O)CN1CCc2ccccc2C1)C1CCCCC1 ZINC000177209364 426454206 /nfs/dbraw/zinc/45/42/06/426454206.db2.gz YZQFTBUUYSMBJK-JXFKEZNVSA-N 2 0 316.489 2.964 20 0 DFADRP C[C@H](C[NH2+][C@@H](C)c1ccccc1Cl)CN1CC[NH+](C)CC1 ZINC000177294122 426463720 /nfs/dbraw/zinc/46/37/20/426463720.db2.gz OUWHQISJWYANMP-CABCVRRESA-N 2 0 309.885 2.874 20 0 DFADRP C[N@@H+](Cc1ccccc1)CC1CC[NH+](CCC2OCCO2)CC1 ZINC000124105505 426470031 /nfs/dbraw/zinc/47/00/31/426470031.db2.gz PNONGXIUQMKKBX-UHFFFAOYSA-N 2 0 318.461 2.593 20 0 DFADRP C[C@H]1CCC[C@H](C[NH2+]Cc2cccnc2N2CC[NH+](C)CC2)C1 ZINC000124123922 426471678 /nfs/dbraw/zinc/47/16/78/426471678.db2.gz ZNEORTCJFCHUKI-IRXDYDNUSA-N 2 0 316.493 2.749 20 0 DFADRP C[C@@H]1C[N@@H+](CCC2CC[NH+](C[C@@H]3CCCCO3)CC2)C[C@H](C)O1 ZINC000177488557 426488839 /nfs/dbraw/zinc/48/88/39/426488839.db2.gz ANEAPTVAYOFASP-SCTDSRPQSA-N 2 0 324.509 2.767 20 0 DFADRP CC[N@H+](Cc1ccc(C(=O)NCC[NH+](C)C(C)C)cc1)C(C)C ZINC000101952948 426487433 /nfs/dbraw/zinc/48/74/33/426487433.db2.gz SSYFVIYRMRQQOY-UHFFFAOYSA-N 2 0 319.493 2.987 20 0 DFADRP Fc1ccc2c(c1)[C@H]([NH+]1CCC(C[NH+]3CCOCC3)CC1)CC2 ZINC000177704193 426507732 /nfs/dbraw/zinc/50/77/32/426507732.db2.gz WGOVTUMMBSCGKU-LJQANCHMSA-N 2 0 318.436 2.857 20 0 DFADRP C[C@@H](NCCC[NH+]1CCCC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272395609 426516296 /nfs/dbraw/zinc/51/62/96/426516296.db2.gz DGPPHVKTBMFAJU-UYAOXDASSA-N 2 0 315.505 2.973 20 0 DFADRP C[C@@H]([NH2+]C[C@@H](C)C[C@H](C)O)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272548810 426554665 /nfs/dbraw/zinc/55/46/65/426554665.db2.gz DWFYUNMCQXFHIZ-IMBTUZDBSA-N 2 0 304.478 2.894 20 0 DFADRP Cc1ccc(C)c(C[N@@H+](C)CC2CC[NH+](C[C@@H](C)O)CC2)c1 ZINC000264350376 426539802 /nfs/dbraw/zinc/53/98/02/426539802.db2.gz HEQFQRJADQEAAY-QGZVFWFLSA-N 2 0 304.478 2.828 20 0 DFADRP Cc1ccc(C)c(C[N@@H+](C)CC2CC[NH+](C[C@H](C)O)CC2)c1 ZINC000264350374 426540467 /nfs/dbraw/zinc/54/04/67/426540467.db2.gz HEQFQRJADQEAAY-KRWDZBQOSA-N 2 0 304.478 2.828 20 0 DFADRP CCCOc1ccc([C@H](C)[NH2+][C@H](C)CN2CC[NH+](C)CC2)cc1 ZINC000177969873 426547938 /nfs/dbraw/zinc/54/79/38/426547938.db2.gz IOELBNGISZWVHO-SJORKVTESA-N 2 0 319.493 2.762 20 0 DFADRP C[C@@H](CN1CC[NH+](C)CC1)[NH2+][C@@H]1CC(C)(C)c2ccccc21 ZINC000177968584 426548179 /nfs/dbraw/zinc/54/81/79/426548179.db2.gz XEBQUDOJQBCZQZ-MAUKXSAKSA-N 2 0 301.478 2.635 20 0 DFADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]C2CC(OC(C)C)C2)[C@H](C)C1 ZINC000186552371 426548539 /nfs/dbraw/zinc/54/85/39/426548539.db2.gz MPGJFCQUEKITHQ-AQEOSJORSA-N 2 0 312.498 2.669 20 0 DFADRP CC[C@@H](Cc1ccc(C)cc1)[NH2+][C@H](C)CCN1CC[NH+](C)CC1 ZINC000186570838 426552852 /nfs/dbraw/zinc/55/28/52/426552852.db2.gz SOBPOPFNTOYISX-QUCCMNQESA-N 2 0 317.521 2.932 20 0 DFADRP CC[C@H](Cc1ccc(C)cc1)[NH2+][C@H](C)CCN1CC[NH+](C)CC1 ZINC000186570856 426552876 /nfs/dbraw/zinc/55/28/76/426552876.db2.gz SOBPOPFNTOYISX-UYAOXDASSA-N 2 0 317.521 2.932 20 0 DFADRP Cc1cccc(CC[C@@H](C)[NH2+][C@@H](C)CCN2CC[NH+](C)CC2)c1 ZINC000186570361 426553353 /nfs/dbraw/zinc/55/33/53/426553353.db2.gz WDSKBZVLVRWVEG-MOPGFXCFSA-N 2 0 317.521 2.932 20 0 DFADRP C[NH+]1CCN(CCC[NH2+]CC2CCC(C(F)(F)F)CC2)CC1 ZINC000186580596 426554159 /nfs/dbraw/zinc/55/41/59/426554159.db2.gz HJAGJWGXRYXBMA-UHFFFAOYSA-N 2 0 321.431 2.582 20 0 DFADRP Cc1nc(CC[NH2+]C2CCN(c3cc[nH+]cc3)CC2)cs1 ZINC000226323878 426620831 /nfs/dbraw/zinc/62/08/31/426620831.db2.gz NLTNDSOFQJGBAT-UHFFFAOYSA-N 2 0 302.447 2.648 20 0 DFADRP CCN(CCC[NH+]1CCCC1)Cc1nc2ccccc2n1C ZINC000289179966 426597949 /nfs/dbraw/zinc/59/79/49/426597949.db2.gz AKOXVBIYRNUMLH-UHFFFAOYSA-N 2 0 300.450 2.881 20 0 DFADRP C[N@H+](CCN1CCC[C@@H]1C[NH+]1CCCC1)Cc1ccc(F)cc1 ZINC000186926375 426609713 /nfs/dbraw/zinc/60/97/13/426609713.db2.gz GOGXDLVJKBWLOM-LJQANCHMSA-N 2 0 319.468 2.818 20 0 DFADRP CCO[C@@H](CC[NH+](C)C)C[NH2+][C@@H](C)c1ccc2c(c1)CCO2 ZINC000178377750 426619238 /nfs/dbraw/zinc/61/92/38/426619238.db2.gz XEEXOKCJFGQFLI-YOEHRIQHSA-N 2 0 306.450 2.629 20 0 DFADRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+][C@@H]1CCCc2cc(F)ccc21 ZINC000186586131 426556390 /nfs/dbraw/zinc/55/63/90/426556390.db2.gz BBHBNBKWPJWJNR-DNVCBOLYSA-N 2 0 319.468 2.819 20 0 DFADRP C[C@H]([NH2+]CC1(O)CCCC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272554926 426556351 /nfs/dbraw/zinc/55/63/51/426556351.db2.gz TVCZRAVREMHHHC-FUHWJXTLSA-N 2 0 302.462 2.792 20 0 DFADRP C[C@H]([NH2+][C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21)c1cnn(C)c1 ZINC000272562502 426558546 /nfs/dbraw/zinc/55/85/46/426558546.db2.gz NXDIRDIXOXFNFD-SMMRIJLZSA-N 2 0 324.472 2.981 20 0 DFADRP C[C@H]1CCCC[N@@H+]1CCC1CC[NH+](Cc2cnn(C)c2)CC1 ZINC000178390751 426620357 /nfs/dbraw/zinc/62/03/57/426620357.db2.gz KFYYWHJYXNKGPQ-INIZCTEOSA-N 2 0 304.482 2.897 20 0 DFADRP CCc1nc(C)c([C@@H](C)[NH2+][C@H](C)CCN2CC[NH+](C)CC2)s1 ZINC000186603183 426561428 /nfs/dbraw/zinc/56/14/28/426561428.db2.gz JTLUZNSDVKZXPB-ZIAGYGMSSA-N 2 0 324.538 2.691 20 0 DFADRP CC(C)[C@@H](CO)[NH2+][C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000272574354 426562855 /nfs/dbraw/zinc/56/28/55/426562855.db2.gz PNAPAPPLOAJKHT-INDMIFKZSA-N 2 0 302.462 2.504 20 0 DFADRP COc1ccc(C)cc1[C@H](C)[NH2+][C@@H](C)CCN1CC[NH+](C)CC1 ZINC000186603779 426563165 /nfs/dbraw/zinc/56/31/65/426563165.db2.gz GHHBLWPCHASKHD-IRXDYDNUSA-N 2 0 319.493 2.680 20 0 DFADRP CC[C@@H](C(=O)NC[C@@H](c1ccco1)[NH+]1CCCC1)[NH+](CC)CC ZINC000265423121 426634292 /nfs/dbraw/zinc/63/42/92/426634292.db2.gz JRAKMSZDPTZZQG-HOTGVXAUSA-N 2 0 321.465 2.653 20 0 DFADRP CC[N@H+](C)Cc1cccc(CNC(=O)[C@H](C)[NH2+]C(C)(C)CC)c1 ZINC000273296188 426637686 /nfs/dbraw/zinc/63/76/86/426637686.db2.gz YYEYOSJMZQOEJH-HNNXBMFYSA-N 2 0 319.493 2.921 20 0 DFADRP COc1ccc2c(c1F)CC[C@H]2[NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000289365968 426638289 /nfs/dbraw/zinc/63/82/89/426638289.db2.gz ZRWHGRQXYXBOPY-BLLLJJGKSA-N 2 0 304.409 2.896 20 0 DFADRP CC(C)[NH2+]C1CCN(CC[N@H+](C)Cc2ccc(F)cc2)CC1 ZINC000187237902 426641694 /nfs/dbraw/zinc/64/16/94/426641694.db2.gz NCKROBOADLPMAB-UHFFFAOYSA-N 2 0 307.457 2.720 20 0 DFADRP CC[N@@H+](CC(=O)Nc1c(C)cccc1C)CC1CC[NH2+]CC1 ZINC000237008290 426686693 /nfs/dbraw/zinc/68/66/93/426686693.db2.gz VHODDHIHYNEFEB-UHFFFAOYSA-N 2 0 303.450 2.563 20 0 DFADRP Cc1oc2ccccc2c1C[N@H+](C)CCCN1CC[NH+](C)CC1 ZINC000289404768 426649608 /nfs/dbraw/zinc/64/96/08/426649608.db2.gz GZCHCCZRQBMXFY-UHFFFAOYSA-N 2 0 315.461 2.811 20 0 DFADRP C[N@H+](Cc1cc(Cl)c2c(c1)OCCO2)[C@@H]1CCC[NH2+]CC1 ZINC000231461928 426650727 /nfs/dbraw/zinc/65/07/27/426650727.db2.gz IWUIFQOMAFHFJU-CYBMUJFWSA-N 2 0 310.825 2.685 20 0 DFADRP C[N@H+](CCC(=O)Nc1ccccc1Cl)[C@@H]1CCC[NH2+]CC1 ZINC000231670230 426652230 /nfs/dbraw/zinc/65/22/30/426652230.db2.gz FCALOSRFFZKDQI-CYBMUJFWSA-N 2 0 309.841 2.743 20 0 DFADRP Cc1cc(F)ccc1C[NH+]1CCC(C[NH+]2CCN(C)CC2)CC1 ZINC000289419620 426652603 /nfs/dbraw/zinc/65/26/03/426652603.db2.gz IXFWVFIJWPEJJH-UHFFFAOYSA-N 2 0 319.468 2.594 20 0 DFADRP C[C@H](c1nc2ccccc2c(=O)[nH]1)N1CCC(c2ncc[nH]2)CC1 ZINC000265548879 426653914 /nfs/dbraw/zinc/65/39/14/426653914.db2.gz YIBJYRWNBNYRPS-GFCCVEGCSA-N 2 0 323.400 2.999 20 0 DFADRP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)Cc2ccc3occc3c2)CC1 ZINC000289449144 426659561 /nfs/dbraw/zinc/65/95/61/426659561.db2.gz XCPPMIFMZWHEHS-OAHLLOKOSA-N 2 0 316.445 2.957 20 0 DFADRP C[C@H]1CN(CCC(=O)Nc2cc(Cl)ccc2Cl)C[C@@H]1[NH3+] ZINC000235670503 426661618 /nfs/dbraw/zinc/66/16/18/426661618.db2.gz CVNFMOUTXRXRPN-CABZTGNLSA-N 2 0 316.232 2.601 20 0 DFADRP COc1cc2c(cc1F)[nH+]ccc2N1C[C@H](C)[C@H]([NH+](C)C)C1 ZINC000280820203 426664339 /nfs/dbraw/zinc/66/43/39/426664339.db2.gz XXLWJWKVNPQSDK-MEDUHNTESA-N 2 0 303.381 2.769 20 0 DFADRP COCCC[C@H](C)[NH2+]C[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000178620326 426665593 /nfs/dbraw/zinc/66/55/93/426665593.db2.gz NCHZDSKSJVSJHL-HKUYNNGSSA-N 2 0 304.478 2.956 20 0 DFADRP CN1CC[C@H]([NH2+]CC[C@H]2CCC[N@@H+]2C)[C@@H]1c1ccc(F)c(F)c1 ZINC000289486877 426668568 /nfs/dbraw/zinc/66/85/68/426668568.db2.gz YOHSEAMOXSNWAF-JLSDUUJJSA-N 2 0 323.431 2.784 20 0 DFADRP CC(C)[N@H+](C)Cc1ccccc1CNC(=O)C1([NH3+])CCCCC1 ZINC000236654253 426671725 /nfs/dbraw/zinc/67/17/25/426671725.db2.gz GITMBUDDBGMPGK-UHFFFAOYSA-N 2 0 317.477 2.805 20 0 DFADRP CC(C)[C@@H](CNC(=O)c1ccc(C[NH3+])cc1)[NH+]1CCC(C)CC1 ZINC000236689952 426676517 /nfs/dbraw/zinc/67/65/17/426676517.db2.gz WQDFUBQIFQBMKJ-GOSISDBHSA-N 2 0 317.477 2.632 20 0 DFADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+][C@@H](C)c2sc(C)nc2C)CC1 ZINC000178693545 426677207 /nfs/dbraw/zinc/67/72/07/426677207.db2.gz FCVOWODNLXZZPP-KBPBESRZSA-N 2 0 324.538 2.684 20 0 DFADRP C[NH2+]CCCC(=O)Nc1ccc(C[N@@H+]2CCCC[C@H]2C)cc1 ZINC000178689810 426677291 /nfs/dbraw/zinc/67/72/91/426677291.db2.gz UPZYYLVDCVWGPB-OAHLLOKOSA-N 2 0 303.450 2.999 20 0 DFADRP CC1CC[NH+](CCCCNC(=O)C[C@H]([NH3+])c2ccccc2)CC1 ZINC000236696593 426677595 /nfs/dbraw/zinc/67/75/95/426677595.db2.gz AIJRSAYGJGUWPO-SFHVURJKSA-N 2 0 317.477 2.705 20 0 DFADRP CCCC[N@H+](C)CC1CCN(C(=O)c2ccc(C[NH3+])cc2)CC1 ZINC000236709980 426677996 /nfs/dbraw/zinc/67/79/96/426677996.db2.gz LNDREFZMHCSKHC-UHFFFAOYSA-N 2 0 317.477 2.729 20 0 DFADRP CCCCc1nc2cc(NC(=O)[C@H]3CCC[NH2+]C3)ccc2[nH]1 ZINC000178708632 426680942 /nfs/dbraw/zinc/68/09/42/426680942.db2.gz VOFKKGLQNIZJLW-LBPRGKRZSA-N 2 0 300.406 2.844 20 0 DFADRP CCCN1Cc2cccc(NC(=O)[C@H]3CC[NH2+][C@H]3CC)c2C1 ZINC000290062964 426684420 /nfs/dbraw/zinc/68/44/20/426684420.db2.gz UTQAFGZUPHXFFZ-HOCLYGCPSA-N 2 0 301.434 2.739 20 0 DFADRP CC[C@H]([NH2+]Cc1ccnc(N2CC[NH+](C)CC2)c1)C(C)(C)C ZINC000289322461 426627809 /nfs/dbraw/zinc/62/78/09/426627809.db2.gz UTELWWORLPWJHC-INIZCTEOSA-N 2 0 304.482 2.748 20 0 DFADRP Cn1c2ccccc2nc1CC[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000265793156 426690334 /nfs/dbraw/zinc/69/03/34/426690334.db2.gz MQILUPKADCPBIL-INIZCTEOSA-N 2 0 312.461 2.534 20 0 DFADRP C[C@@H]1C[C@H](NC(=O)[C@@H]([NH3+])C(C)(C)C)CC[N@@H+]1Cc1ccccc1 ZINC000237439290 426690805 /nfs/dbraw/zinc/69/08/05/426690805.db2.gz SYCSQSIQBXWUIU-DJIMGWMZSA-N 2 0 317.477 2.529 20 0 DFADRP C[N@@H+]1CCC[C@H](CNC(=O)C2([NH3+])CCCC2)[C@@H]1c1cccs1 ZINC000237123235 426689189 /nfs/dbraw/zinc/68/91/89/426689189.db2.gz APHFMKODIRFGNK-UKRRQHHQSA-N 2 0 321.490 2.519 20 0 DFADRP O[C@H]1CCCC[C@@H]1[NH2+][C@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000187884265 426703588 /nfs/dbraw/zinc/70/35/88/426703588.db2.gz WOBKMHWOVIVDIS-SLHNCBLASA-N 2 0 314.473 2.790 20 0 DFADRP [NH3+]CCCCNC(=O)c1ccc(Oc2ccncc2)c(Cl)c1 ZINC000238053932 426705897 /nfs/dbraw/zinc/70/58/97/426705897.db2.gz IVTLQQJAULTVHN-UHFFFAOYSA-N 2 0 319.792 2.996 20 0 DFADRP CC[N@H+](C)Cc1cccc(C[NH2+][C@H](COC)C2CCOCC2)c1 ZINC000187961889 426709653 /nfs/dbraw/zinc/70/96/53/426709653.db2.gz BTGBBBSFTZEMTC-LJQANCHMSA-N 2 0 320.477 2.670 20 0 DFADRP COC[C@H]([NH2+]CCC[NH+](C(C)C)C(C)C)C1CCOCC1 ZINC000188100146 426721342 /nfs/dbraw/zinc/72/13/42/426721342.db2.gz NHAIXTOHWBFSQJ-KRWDZBQOSA-N 2 0 300.487 2.527 20 0 DFADRP O=C(CCC1CC[NH2+]CC1)N1CCC[C@H]([NH+]2CCCCCC2)C1 ZINC000237946962 426699472 /nfs/dbraw/zinc/69/94/72/426699472.db2.gz XHIBCHCUXQHOCU-SFHVURJKSA-N 2 0 321.509 2.633 20 0 DFADRP C[NH+](C)C[C@H](NCc1cn2ccccc2n1)c1ccc(F)cc1 ZINC000290139811 426700206 /nfs/dbraw/zinc/70/02/06/426700206.db2.gz NWNNKEDGZMNFRU-KRWDZBQOSA-N 2 0 312.392 2.866 20 0 DFADRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@@H]1CCc2cc(F)c(OC)cc21 ZINC000281815790 426771133 /nfs/dbraw/zinc/77/11/33/426771133.db2.gz ZFZYSMBZQBCTAN-RHSMWYFYSA-N 2 0 324.440 2.768 20 0 DFADRP CCC[C@@H]([NH2+]CCCC[N@@H+]1CCC[C@H]1CO)c1ccccn1 ZINC000245776438 426772340 /nfs/dbraw/zinc/77/23/40/426772340.db2.gz ADXMFXVSVAMXLU-DLBZAZTESA-N 2 0 305.466 2.749 20 0 DFADRP Cn1cnc2cc(C[N@@H+]3CC[C@H](C4CC[NH+](C)CC4)C3)ccc21 ZINC000290530990 426784434 /nfs/dbraw/zinc/78/44/34/426784434.db2.gz QRYNTBJRLPKEIA-KRWDZBQOSA-N 2 0 312.461 2.737 20 0 DFADRP CC[C@@H](C(=O)NCc1ccc(F)c(C[NH+](C)C)c1)[NH+](CC)CC ZINC000266830868 426786486 /nfs/dbraw/zinc/78/64/86/426786486.db2.gz KWARQCPBHGTVMH-KRWDZBQOSA-N 2 0 323.456 2.624 20 0 DFADRP Cc1cccc2c1[nH+]cc(C)c2N1CCC([N@H+](C)CCO)CC1 ZINC000274188303 426723865 /nfs/dbraw/zinc/72/38/65/426723865.db2.gz QIEAWRDQWISQNE-UHFFFAOYSA-N 2 0 313.445 2.745 20 0 DFADRP c1cc2c(cc1[C@H]1CCC[N@H+]1CC1CC[NH2+]CC1)OCCO2 ZINC000178955822 426725446 /nfs/dbraw/zinc/72/54/46/426725446.db2.gz RJIRJIIVMCHQAZ-MRXNPFEDSA-N 2 0 302.418 2.594 20 0 DFADRP Fc1cccc(C[N@H+](C[C@@H]2CCCO2)CC2CC[NH2+]CC2)c1 ZINC000178968695 426727573 /nfs/dbraw/zinc/72/75/73/426727573.db2.gz OBTWPSGEVBMLRQ-SFHVURJKSA-N 2 0 306.425 2.806 20 0 DFADRP O=C(c1ccc(F)cc1)[C@H]1CCC[N@H+](CC2CC[NH2+]CC2)C1 ZINC000178974671 426729218 /nfs/dbraw/zinc/72/92/18/426729218.db2.gz PTKGIGJXNCVWGS-INIZCTEOSA-N 2 0 304.409 2.720 20 0 DFADRP C[N@@H+](Cc1ccccc1)CC1CC[NH+](CC2CC[NH2+]CC2)CC1 ZINC000178980007 426729888 /nfs/dbraw/zinc/72/98/88/426729888.db2.gz WRVCGXDCWQEOOS-UHFFFAOYSA-N 3 0 315.505 2.830 20 0 DFADRP O[C@@H](CC[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1)c1ccccc1 ZINC000290293445 426734320 /nfs/dbraw/zinc/73/43/20/426734320.db2.gz NADPJOALKYYBRG-MJGOQNOKSA-N 2 0 302.462 2.918 20 0 DFADRP CN(CC[C@@H]1CCCC[N@@H+]1C)C[C@@H](O)c1cc(F)ccc1F ZINC000266611350 426748977 /nfs/dbraw/zinc/74/89/77/426748977.db2.gz WPOWTERVGHPWKD-WMLDXEAASA-N 2 0 312.404 2.804 20 0 DFADRP CCOC(=O)[C@@H](CC)N(C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000266619380 426751066 /nfs/dbraw/zinc/75/10/66/426751066.db2.gz KRMXXSMQHQYGDU-QZTJIDSGSA-N 2 0 318.461 2.782 20 0 DFADRP CC(C)[C@H](C[NH2+][C@@H](C)c1ccc(Cl)nc1)N1CC[NH+](C)CC1 ZINC000179102345 426751728 /nfs/dbraw/zinc/75/17/28/426751728.db2.gz PIEZMMAKSZQOQO-HOCLYGCPSA-N 2 0 324.900 2.658 20 0 DFADRP CC[NH+]1CCN(c2ccccc2N[C@@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC000245563358 426752692 /nfs/dbraw/zinc/75/26/92/426752692.db2.gz MQAYSUHLVBBMDU-DLBZAZTESA-N 2 0 316.493 2.723 20 0 DFADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1[NH2+]CC1CCN(CC(F)(F)F)CC1 ZINC000188515237 426759057 /nfs/dbraw/zinc/75/90/57/426759057.db2.gz JDRIIXPNAIYKJF-VNHYZAJKSA-N 2 0 321.431 2.579 20 0 DFADRP CC(C)n1ccc(CN2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)n1 ZINC000179176140 426764311 /nfs/dbraw/zinc/76/43/11/426764311.db2.gz VHJHETFZAQEUPY-CRAIPNDOSA-N 2 0 302.466 2.913 20 0 DFADRP C[C@H](C(=O)Nc1ccc(C[NH+](C)C)cc1)[NH+]1[C@H](C)CC[C@H]1C ZINC000266933947 426798711 /nfs/dbraw/zinc/79/87/11/426798711.db2.gz NNPVIROSGFIBLZ-RBSFLKMASA-N 2 0 303.450 2.948 20 0 DFADRP Cc1cc(Cl)ccc1C[NH2+][C@@H](C)CCN1CC[NH+](C)CC1 ZINC000274623613 426805738 /nfs/dbraw/zinc/80/57/38/426805738.db2.gz XFPQEOANYZUFFX-HNNXBMFYSA-N 2 0 309.885 2.764 20 0 DFADRP C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)[C@@H]2C[C@@H]3CCCC[C@H]3[NH2+]2)C1 ZINC000246281751 426815943 /nfs/dbraw/zinc/81/59/43/426815943.db2.gz MPJJFOHGHCTSPS-TWMKSMIVSA-N 2 0 321.509 2.534 20 0 DFADRP FC(F)COCCN1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000189098290 426817501 /nfs/dbraw/zinc/81/75/01/426817501.db2.gz BGYYEHZJIUXKCR-OAHLLOKOSA-N 2 0 304.425 2.856 20 0 DFADRP C[C@@H](NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)[C@@H](c1ccccc1)[NH+](C)C ZINC000290679905 426817866 /nfs/dbraw/zinc/81/78/66/426817866.db2.gz HRXFRWYECGELJL-MVJTYMMSSA-N 2 0 317.477 2.524 20 0 DFADRP CC(C)(O)CC[NH2+][C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000274759829 426831413 /nfs/dbraw/zinc/83/14/13/426831413.db2.gz DFYIYGGFXMCYEK-RCCFBDPRSA-N 2 0 302.462 2.648 20 0 DFADRP Cc1ccc([C@H]([NH2+]C[C@@H](O)C[NH+]2CCCCC2)C2CC2)cc1 ZINC000180044443 426833071 /nfs/dbraw/zinc/83/30/71/426833071.db2.gz OXDISAYTFKVJJR-MOPGFXCFSA-N 2 0 302.462 2.883 20 0 DFADRP C[N@@H+]1CCN(CC[NH2+][C@H]2CCC[C@@H]2c2ccccc2)CC1(C)C ZINC000282141649 426837321 /nfs/dbraw/zinc/83/73/21/426837321.db2.gz CCCMWIWUFJMWMQ-MOPGFXCFSA-N 2 0 315.505 2.938 20 0 DFADRP C[C@@H]1CCCC[N@@H+]1CCC1CC[NH+](Cc2cncnc2)CC1 ZINC000180182300 426840135 /nfs/dbraw/zinc/84/01/35/426840135.db2.gz FECVWPHHDKYCCT-MRXNPFEDSA-N 2 0 302.466 2.953 20 0 DFADRP Cc1ccc2c(c1)[C@@H]([NH2+]C[C@H](O)C[NH+]1CCCCC1)[C@@H](C)C2 ZINC000180211298 426845138 /nfs/dbraw/zinc/84/51/38/426845138.db2.gz WQWNLADBUPLRFU-IEZWGBDMSA-N 2 0 302.462 2.665 20 0 DFADRP CCn1nc(C[N@H+](C)CC2CC[NH+](C)CC2)c2ccccc21 ZINC000274550650 426791168 /nfs/dbraw/zinc/79/11/68/426791168.db2.gz IMUZDGYHRMAOJP-UHFFFAOYSA-N 2 0 300.450 2.830 20 0 DFADRP C[C@@H](O)c1ncc(C[NH2+]Cc2cccc(C[NH+](C)C)c2)s1 ZINC000290556254 426792680 /nfs/dbraw/zinc/79/26/80/426792680.db2.gz ZHXZIXGEYQOZFF-GFCCVEGCSA-N 2 0 305.447 2.548 20 0 DFADRP COc1ccc([C@@H](C)[NH2+][C@@H](C)CCN2CC[NH+](C)CC2)cc1C ZINC000274579939 426795540 /nfs/dbraw/zinc/79/55/40/426795540.db2.gz CJJFDFQPLVTMNH-DLBZAZTESA-N 2 0 319.493 2.680 20 0 DFADRP C[C@]1(c2ccccc2)CC[C@H]([NH2+][C@@H]2CCCN(CCCO)C2)C1 ZINC000295205911 426860549 /nfs/dbraw/zinc/86/05/49/426860549.db2.gz ZHRWFDOEFRUYLP-ZCNNSNEGSA-N 2 0 316.489 2.933 20 0 DFADRP CC[NH+](CC)C[C@H]1CCN(CCOCC(F)(F)C(F)F)C1 ZINC000189476455 426863266 /nfs/dbraw/zinc/86/32/66/426863266.db2.gz VDFXRQWIRUKLNQ-GFCCVEGCSA-N 2 0 314.367 2.567 20 0 DFADRP C[C@H](CCc1cccc(F)c1)[NH2+]CCN1CC[N@H+](C)C(C)(C)C1 ZINC000282277079 426870129 /nfs/dbraw/zinc/87/01/29/426870129.db2.gz KUVQSXOVFDPCHR-MRXNPFEDSA-N 2 0 321.484 2.762 20 0 DFADRP C[C@@H]1C[C@H]([NH2+]Cc2ccc(OCCC[NH+](C)C)cc2)[C@@H](C)O1 ZINC000295243585 426876074 /nfs/dbraw/zinc/87/60/74/426876074.db2.gz SXNOBZJZDISRQT-RKVPGOIHSA-N 2 0 306.450 2.673 20 0 DFADRP C[C@@H](C[NH2+][C@@H]1C[C@@H](C)[N@H+](C)C[C@H]1C)N1CCc2sccc2C1 ZINC000246905481 426877786 /nfs/dbraw/zinc/87/77/86/426877786.db2.gz FPNMRPBZGPCWFT-PNBKFKSVSA-N 2 0 321.534 2.813 20 0 DFADRP C[C@@H]1C[C@H](N[C@@H]2CCN(c3ccccc3Cl)C2=O)CC[N@@H+]1C ZINC000180725619 426881100 /nfs/dbraw/zinc/88/11/00/426881100.db2.gz FNMGJHSXYQNPNJ-UMVBOHGHSA-N 2 0 321.852 2.518 20 0 DFADRP C[C@@H](NCC1([NH+](C)C)CCC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000275626340 426883346 /nfs/dbraw/zinc/88/33/46/426883346.db2.gz AMDSKGAELZNUAF-IEBWSBKVSA-N 2 0 315.505 2.971 20 0 DFADRP C[C@@H](C[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1)N1CCc2sccc2C1 ZINC000247000252 426888909 /nfs/dbraw/zinc/88/89/09/426888909.db2.gz LNBXDCRPFTYRJH-YCPHGPKFSA-N 2 0 307.507 2.567 20 0 DFADRP C[N@H+](CCO)C1CC[NH+](CCCCCOc2ccccc2)CC1 ZINC000275697081 426900178 /nfs/dbraw/zinc/90/01/78/426900178.db2.gz JXIPAMNXBNVILB-UHFFFAOYSA-N 2 0 320.477 2.624 20 0 DFADRP Clc1cc(CN[C@H]2CC[N@@H+]3CCC[C@@H]3C2)cc2c1OCCO2 ZINC000337648111 426900670 /nfs/dbraw/zinc/90/06/70/426900670.db2.gz YZQZTBOIUCNSHE-UONOGXRCSA-N 2 0 322.836 2.828 20 0 DFADRP CC[NH+]1CCN([C@H]2CC[N@H+](C[C@H](C)c3ccccc3)C2)CC1 ZINC000247125050 426906876 /nfs/dbraw/zinc/90/68/76/426906876.db2.gz ODEPZAKIJKWOGH-HKUYNNGSSA-N 2 0 301.478 2.502 20 0 DFADRP Cc1ccc2c(c1)[C@@H]([NH2+]CCN1CC[N@@H+](C)C(C)(C)C1)CC2 ZINC000282415087 426907144 /nfs/dbraw/zinc/90/71/44/426907144.db2.gz SIEFTEPXXFIQCR-SFHVURJKSA-N 2 0 301.478 2.598 20 0 DFADRP C[C@@H]1C[C@@H](N[C@H]2C[C@@H](C)[NH+](C)C[C@H]2C)C[N@@H+]1Cc1ccccc1 ZINC000247139824 426907359 /nfs/dbraw/zinc/90/73/59/426907359.db2.gz QTIYVGYNRMSCCF-GNVJSZRZSA-N 2 0 315.505 2.968 20 0 DFADRP COc1ccc(C[C@H](C)C[N@H+](C)C[C@@H]2CC[NH+](C)C2)cc1F ZINC000275733549 426907704 /nfs/dbraw/zinc/90/77/04/426907704.db2.gz PDEXSHFAEQLBCQ-GOEBONIOSA-N 2 0 308.441 2.896 20 0 DFADRP CC(C)(C)OC1CC([NH2+]C2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)C1 ZINC000305866834 426912919 /nfs/dbraw/zinc/91/29/19/426912919.db2.gz ZVYGECHYPIKLLM-OPQOLIRYSA-N 2 0 324.509 2.690 20 0 DFADRP CC[C@H](O)C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000247961270 426969121 /nfs/dbraw/zinc/96/91/21/426969121.db2.gz GGAICTPKPXLIFT-FHWLQOOXSA-N 2 0 302.462 2.744 20 0 DFADRP CC[C@@H]([NH2+]CCCC[N@@H+]1CCC[C@H]1CO)c1ccccc1OC ZINC000248170997 426986618 /nfs/dbraw/zinc/98/66/18/426986618.db2.gz UTEPIKAEUXUOKU-FUHWJXTLSA-N 2 0 320.477 2.973 20 0 DFADRP C[C@H](Cc1ccccc1F)[NH2+]C1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000275824480 426927708 /nfs/dbraw/zinc/92/77/08/426927708.db2.gz GVKAIXZMJAXROY-MDASCCDHSA-N 2 0 320.452 2.724 20 0 DFADRP C[C@@H]1CCCC[N@@H+]1CCC[NH2+][C@@H]1CCO[C@H](C(F)(F)F)C1 ZINC000314587246 426929916 /nfs/dbraw/zinc/92/99/16/426929916.db2.gz DTAUIBKZRRIWLM-MCIONIFRSA-N 2 0 308.388 2.950 20 0 DFADRP CCCC[C@H](C(=O)OC)[N@@H+]1CC[C@@H](CNc2cccc(C)[nH+]2)C1 ZINC000247428855 426937052 /nfs/dbraw/zinc/93/70/52/426937052.db2.gz VYIXLFCFBHWIPW-JKSUJKDBSA-N 2 0 319.449 2.856 20 0 DFADRP O[C@H](C[NH+]1CCC(CCC[NH+]2CCCC2)CC1)CC(F)(F)F ZINC000189743519 426939807 /nfs/dbraw/zinc/93/98/07/426939807.db2.gz ZQCMFVUAHCWLPU-HNNXBMFYSA-N 2 0 322.415 2.888 20 0 DFADRP COc1ccccc1[C@@H](C)[NH2+]CCCN1CC[NH+](C(C)C)CC1 ZINC000283424564 427013906 /nfs/dbraw/zinc/01/39/06/427013906.db2.gz WMFKUNUYSCJLCV-QGZVFWFLSA-N 2 0 319.493 2.762 20 0 DFADRP CC(C)[NH+]1CCN(CCC[NH2+]C2(c3cccc(F)c3)CC2)CC1 ZINC000283434300 427014462 /nfs/dbraw/zinc/01/44/62/427014462.db2.gz XGFRDIILRBMNBY-UHFFFAOYSA-N 2 0 319.468 2.821 20 0 DFADRP O[C@H]1CC[N@H+](Cc2ccccc2C[NH2+]C(C2CC2)C2CC2)C1 ZINC000182269627 427044775 /nfs/dbraw/zinc/04/47/75/427044775.db2.gz FOVDXDFSMGYFQB-SFHVURJKSA-N 2 0 300.446 2.531 20 0 DFADRP CCC[C@@H](C(=O)NCC(C)(C)[N@H+]1C[C@H](C)C[C@H](C)C1)[NH+](C)C ZINC000337948140 427052791 /nfs/dbraw/zinc/05/27/91/427052791.db2.gz KVUJEGXKRSHIJL-XHSDSOJGSA-N 2 0 311.514 2.589 20 0 DFADRP C[C@@H](C(=O)NC[C@H](c1cccs1)[NH+]1CCC(C)CC1)[C@H](C)[NH3+] ZINC000248988382 427072373 /nfs/dbraw/zinc/07/23/73/427072373.db2.gz GTKIMNUQJQSVSP-QLFBSQMISA-N 2 0 323.506 2.621 20 0 DFADRP C[C@H]1C[C@H]([NH2+]Cc2ccc(OC3CC[NH+](C)CC3)cc2)CCO1 ZINC000283825789 427084714 /nfs/dbraw/zinc/08/47/14/427084714.db2.gz DNBISZAPVQIZKK-DOTOQJQBSA-N 2 0 318.461 2.817 20 0 DFADRP C[NH+](C)CCOc1cc(C[NH2+][C@H]2CC[C@H]2C2CCC2)ccn1 ZINC000338004366 427087823 /nfs/dbraw/zinc/08/78/23/427087823.db2.gz YTWMWLYTNFLXGC-IRXDYDNUSA-N 2 0 303.450 2.690 20 0 DFADRP CCN(CC)CC[NH2+][C@H](C)c1ccc(OCC[NH+](C)C)cc1 ZINC000268694526 427092731 /nfs/dbraw/zinc/09/27/31/427092731.db2.gz BDQUXYLAHRJRHF-MRXNPFEDSA-N 2 0 307.482 2.619 20 0 DFADRP CC(C)[C@H](O)C[N@H+](C)[C@@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000283906168 427096066 /nfs/dbraw/zinc/09/60/66/427096066.db2.gz JPARRJJJKHBHDW-BHIYHBOVSA-N 2 0 304.478 2.988 20 0 DFADRP C[C@@H]1CCCC[N@@H+]1Cc1ccc(NC(=O)C2([NH3+])CCC2)cc1 ZINC000296169095 427097185 /nfs/dbraw/zinc/09/71/85/427097185.db2.gz XCHWXPLTLIILAL-CQSZACIVSA-N 2 0 301.434 2.881 20 0 DFADRP CC[N@@H+]1CC[C@@H](C[NH2+][C@H](C)c2cc(OC)c(OC)c(OC)c2)C1 ZINC000249378405 427108491 /nfs/dbraw/zinc/10/84/91/427108491.db2.gz NTMWTVNGMUTSCV-KGLIPLIRSA-N 2 0 322.449 2.705 20 0 DFADRP c1ccc(C[NH+]2CCC(N[C@H]3CC[N@@H+]4CCCC[C@H]34)CC2)cc1 ZINC000268767800 427108459 /nfs/dbraw/zinc/10/84/59/427108459.db2.gz KGFDHEAQMWXIPI-VQTJNVASSA-N 2 0 313.489 2.867 20 0 DFADRP C[C@@H]1C[C@H](NC(=O)C=Cc2c[nH]cn2)CC[N@@H+]1Cc1ccccc1 ZINC000276594454 427109269 /nfs/dbraw/zinc/10/92/69/427109269.db2.gz NKKWFKAWVSVYMU-FKDHNMLASA-N 2 0 324.428 2.592 20 0 DFADRP CC(C)[N@H+](C)CCC[NH2+][C@@H](C)c1ccc(-n2cncn2)cc1 ZINC000268777638 427113246 /nfs/dbraw/zinc/11/32/46/427113246.db2.gz SDWDGHDVXPLDFU-HNNXBMFYSA-N 2 0 301.438 2.648 20 0 DFADRP C[C@@H]1C[C@H](NCc2ccc(N3CCCCC3)nc2)CC[N@@H+]1C ZINC000268797048 427117902 /nfs/dbraw/zinc/11/79/02/427117902.db2.gz WXSPCBKHZVRBJQ-NVXWUHKLSA-N 2 0 302.466 2.644 20 0 DFADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC[C@@H]1CCC[NH+]1C ZINC000268795467 427119858 /nfs/dbraw/zinc/11/98/58/427119858.db2.gz HUCGMDJAFBCCKP-NEWSRXKRSA-N 2 0 301.478 2.581 20 0 DFADRP CCN1CC[NH+](CCCC[NH2+][C@H]2CCc3c2cccc3F)CC1 ZINC000268806944 427122401 /nfs/dbraw/zinc/12/24/01/427122401.db2.gz JJORCPZLSBTCII-IBGZPJMESA-N 2 0 319.468 2.820 20 0 DFADRP COc1ccsc1C[NH2+]CCCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000268813357 427125576 /nfs/dbraw/zinc/12/55/76/427125576.db2.gz UTQLWLBHRAZWEW-ZIAGYGMSSA-N 2 0 312.479 2.736 20 0 DFADRP CC[C@H](C)[C@@H](C)[NH2+]CCCN1CCN(c2cc[nH+]cc2)CC1 ZINC000268830873 427131707 /nfs/dbraw/zinc/13/17/07/427131707.db2.gz SFGVTMMHBBKXNL-DLBZAZTESA-N 2 0 304.482 2.618 20 0 DFADRP C[C@H](c1nc(-c2ccccc2)no1)N1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000292208762 427132501 /nfs/dbraw/zinc/13/25/01/427132501.db2.gz TUWFZEQUNGZUIS-KDOFPFPSSA-N 2 0 312.417 2.825 20 0 DFADRP O[C@@H](C[NH+]1CCC(OCC[NH+]2CCCC2)CC1)C1CCCCC1 ZINC000190619561 427149018 /nfs/dbraw/zinc/14/90/18/427149018.db2.gz RAIZAMINDQGXFH-IBGZPJMESA-N 2 0 324.509 2.504 20 0 DFADRP C[C@H](CCCO)C[NH2+][C@@H](C)c1ccc(OCC[NH+](C)C)cc1 ZINC000296327535 427149238 /nfs/dbraw/zinc/14/92/38/427149238.db2.gz HCPSQJNIKMLDAH-CVEARBPZSA-N 2 0 308.466 2.686 20 0 DFADRP C[NH+](C)CCCOc1cccc(NC(=O)CCCCCC[NH3+])c1 ZINC000269258927 427151614 /nfs/dbraw/zinc/15/16/14/427151614.db2.gz LMEZXISXVCKEPC-UHFFFAOYSA-N 2 0 321.465 2.865 20 0 DFADRP Cc1cc([C@H](C)[NH2+]CCc2ccc(OCC[NH+](C)C)cc2)no1 ZINC000284230121 427161153 /nfs/dbraw/zinc/16/11/53/427161153.db2.gz UOUCFCQLEAKWLU-HNNXBMFYSA-N 2 0 317.433 2.817 20 0 DFADRP CCC[NH+]1CCC(N(C)CC(=O)Nc2cccc(CC)c2)CC1 ZINC000109786189 271009623 /nfs/dbraw/zinc/00/96/23/271009623.db2.gz UFYDEWALBRWVOR-UHFFFAOYSA-N 2 0 317.477 2.994 20 0 DFADRP CCC[NH+]1CCC(N(C)CC(=O)NCCC2=CCCCC2)CC1 ZINC000109786330 271010161 /nfs/dbraw/zinc/01/01/61/271010161.db2.gz JLOUECLLVRICQU-UHFFFAOYSA-N 2 0 321.509 2.799 20 0 DFADRP C[NH+](C)CCN(C(=O)CC1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccccc1 ZINC000166406897 271096202 /nfs/dbraw/zinc/09/62/02/271096202.db2.gz LPSCBWWCBYHZQH-ALOPSCKCSA-N 2 0 315.461 2.502 20 0 DFADRP C[NH+](C)Cc1c2ccccc2oc1C(=O)NCC[NH2+]C(C)(C)C ZINC000174236423 271134109 /nfs/dbraw/zinc/13/41/09/271134109.db2.gz RQNBKJJOVPIUIN-UHFFFAOYSA-N 2 0 317.433 2.612 20 0 DFADRP OCC[NH+]1CCC(C[NH2+][C@@H]2CCCCc3ccccc32)CC1 ZINC000174849639 271139151 /nfs/dbraw/zinc/13/91/51/271139151.db2.gz UIAYCTIVWCLIKX-LJQANCHMSA-N 2 0 302.462 2.748 20 0 DFADRP CCC[N@H+](C)C[C@@H]1CCN([C@@H](C)C(=O)N2C[C@H](C)C[C@H](C)C2)C1 ZINC000174951203 271142646 /nfs/dbraw/zinc/14/26/46/271142646.db2.gz GLWWYQCHARLBQY-MHORFTMASA-N 2 0 323.525 2.543 20 0 DFADRP Cc1ccccc1CCC[N@@H+](C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000175905437 271160320 /nfs/dbraw/zinc/16/03/20/271160320.db2.gz CGJLHQUUKHTLDA-SFHVURJKSA-N 2 0 318.505 2.952 20 0 DFADRP CSc1ccccc1[C@H](C)[NH2+]C[C@H](C)CN1CC[NH+](C)CC1 ZINC000194882765 271229170 /nfs/dbraw/zinc/22/91/70/271229170.db2.gz MAXHUXFVIAWVGE-HOTGVXAUSA-N 2 0 321.534 2.943 20 0 DFADRP CC[NH+](CC)Cc1ccc(C(=O)N2CC[N@H+](C)[C@H](C)[C@@H]2C)cc1 ZINC000338174277 427171542 /nfs/dbraw/zinc/17/15/42/427171542.db2.gz DWQUNKVKJFDNDG-CVEARBPZSA-N 2 0 317.477 2.693 20 0 DFADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1[NH2+]CCCCNC(=O)OC(C)(C)C ZINC000183174649 427217347 /nfs/dbraw/zinc/21/73/47/427217347.db2.gz YWORHWFGJMLSMF-QLFBSQMISA-N 2 0 313.486 2.610 20 0 DFADRP COC[C@@H]([NH2+]Cc1ccc(OC2CC[NH+](C)CC2)cc1)C(C)C ZINC000284311323 427176553 /nfs/dbraw/zinc/17/65/53/427176553.db2.gz JMFSHWVQQWBKFT-LJQANCHMSA-N 2 0 320.477 2.920 20 0 DFADRP C[N@@H+]1CC[C@H](NCCC[NH+]2CCCCC2)[C@H]1c1ccccc1 ZINC000284318902 427181036 /nfs/dbraw/zinc/18/10/36/427181036.db2.gz POQDRDGQBQGDQR-RBUKOAKNSA-N 2 0 301.478 2.897 20 0 DFADRP C[C@@H]([NH2+][C@@H](C)CC(C)(C)O)c1cccc(OCC[NH+](C)C)c1 ZINC000296486224 427198252 /nfs/dbraw/zinc/19/82/52/427198252.db2.gz OLEWEPMVOPLLOD-LSDHHAIUSA-N 2 0 308.466 2.827 20 0 DFADRP C[C@H](O)[C@](C)(C[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1)Cc1ccccc1 ZINC000253351278 427199675 /nfs/dbraw/zinc/19/96/75/427199675.db2.gz IYRIMFFUHZMMKF-RNQOJCNYSA-N 2 0 316.489 2.833 20 0 DFADRP COCCC[NH2+][C@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000183125234 427203744 /nfs/dbraw/zinc/20/37/44/427203744.db2.gz MGILUHUJROSGMX-QYZOEREBSA-N 2 0 302.462 2.913 20 0 DFADRP C[C@@H]([NH2+]C1CCN(CC[NH+](C)C)CC1)c1cccc(F)c1F ZINC000183220233 427226243 /nfs/dbraw/zinc/22/62/43/427226243.db2.gz ZLGAPFCTEQABGW-CYBMUJFWSA-N 2 0 311.420 2.641 20 0 DFADRP C[C@H](CC[NH2+]C1CCN(CC(F)(F)F)CC1)[NH+]1CCCCC1 ZINC000183226696 427226813 /nfs/dbraw/zinc/22/68/13/427226813.db2.gz KWJWZHKZCZIMFD-CQSZACIVSA-N 2 0 321.431 2.867 20 0 DFADRP Cc1ccncc1C[NH+]1CCC(C[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000269602686 427228869 /nfs/dbraw/zinc/22/88/69/427228869.db2.gz WLCSJDZLZVTROQ-IAGOWNOFSA-N 2 0 317.477 2.711 20 0 DFADRP Cc1nc2ccccc2n1CC[NH2+][C@@H](c1nccn1C)C1CC1 ZINC000183237071 427230695 /nfs/dbraw/zinc/23/06/95/427230695.db2.gz ZSQAKRVVNQCRFD-QGZVFWFLSA-N 2 0 309.417 2.819 20 0 DFADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CCSC(C)C)[C@H](C)C1 ZINC000338287228 427235548 /nfs/dbraw/zinc/23/55/48/427235548.db2.gz HLOUWIYDPPZCRY-HZPDHXFCSA-N 2 0 302.528 2.855 20 0 DFADRP CC[NH+](CC)CCOc1ccccc1C[NH2+]CC1(C)COC1 ZINC000285504763 427252347 /nfs/dbraw/zinc/25/23/47/427252347.db2.gz QJFHJIHNGYMLLY-UHFFFAOYSA-N 2 0 306.450 2.533 20 0 DFADRP C[C@@H]1C[N@H+](CCC[NH2+]Cc2cccc3cc[nH]c32)CCCO1 ZINC000277646328 427271340 /nfs/dbraw/zinc/27/13/40/427271340.db2.gz DGSJYUWZZQHFRH-OAHLLOKOSA-N 2 0 301.434 2.758 20 0 DFADRP CC(C)[C@H](O)C[N@@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000293363411 427300107 /nfs/dbraw/zinc/30/01/07/427300107.db2.gz ONLWHPSZOBVGRS-RTBURBONSA-N 2 0 302.462 2.601 20 0 DFADRP CCC(CC)(CNC(=O)[C@H](C)C[NH3+])[NH2+][C@H](C)c1ccccc1 ZINC000285712898 427317042 /nfs/dbraw/zinc/31/70/42/427317042.db2.gz DLFXTQQVWBXYBX-HUUCEWRRSA-N 2 0 305.466 2.607 20 0 DFADRP Cc1ccc(C[NH2+]CC2(N(C)C)CCC2)c(-c2ccnn2C)c1 ZINC000338442607 427325729 /nfs/dbraw/zinc/32/57/29/427325729.db2.gz WZNULKXABHDLNZ-UHFFFAOYSA-N 2 0 312.461 2.969 20 0 DFADRP Cc1nocc1CNCc1ccc(-n2ccnc2C)c(F)c1 ZINC000293464137 427335283 /nfs/dbraw/zinc/33/52/83/427335283.db2.gz DJEGJSIABCPDKE-UHFFFAOYSA-N 2 0 300.337 2.906 20 0 DFADRP CC[C@@H]1C[C@H](C[N@@H+]2C[C@@H](C[NH3+])[C@H](c3ccccc3)C2)CCO1 ZINC000261702654 427338946 /nfs/dbraw/zinc/33/89/46/427338946.db2.gz JLPQFUOCOMQYIV-OWYHZJEWSA-N 2 0 302.462 2.866 20 0 DFADRP CCC(CC)(C[NH3+])C(=O)N[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000261907579 427342708 /nfs/dbraw/zinc/34/27/08/427342708.db2.gz HEWGKWQTURGZSW-NVXWUHKLSA-N 2 0 317.477 2.703 20 0 DFADRP CC[NH+](CC)CCO[C@@H]1CC[N@H+](C[C@H](OC)c2ccccc2)C1 ZINC000338549510 427373982 /nfs/dbraw/zinc/37/39/82/427373982.db2.gz RRQOQEFNCRZPPN-MOPGFXCFSA-N 2 0 320.477 2.807 20 0 DFADRP Cc1nn2c(CN(C)C3CC[NH+](C(C)C)CC3)c(C)nc2s1 ZINC000271038485 427382051 /nfs/dbraw/zinc/38/20/51/427382051.db2.gz KZCZIAWDFSCWRB-UHFFFAOYSA-N 2 0 321.494 2.712 20 0 DFADRP C[C@@]1(C(=O)Nc2cc(C[NH3+])cc(C(F)(F)F)c2)CCCC[NH2+]1 ZINC000262959412 427384489 /nfs/dbraw/zinc/38/44/89/427384489.db2.gz JXUVVLDSBVQCMJ-AWEZNQCLSA-N 2 0 315.339 2.635 20 0 DFADRP CC(C)CC[C@@H]([NH2+]CCCN1CCC[C@@H]1C(N)=O)c1ccoc1 ZINC000285984964 427393271 /nfs/dbraw/zinc/39/32/71/427393271.db2.gz HWTBLPWMYCAGDZ-IAGOWNOFSA-N 2 0 321.465 2.686 20 0 DFADRP CC(C)(CCC[NH3+])NC(=O)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000293691006 427407609 /nfs/dbraw/zinc/40/76/09/427407609.db2.gz PBXXWEVSBICFPJ-KRWDZBQOSA-N 2 0 317.477 2.532 20 0 DFADRP C[N@@H+]1CCC[C@]2(CCN(Cc3c[nH]nc3-c3ccccc3)C2)C1 ZINC000293704044 427410398 /nfs/dbraw/zinc/41/03/98/427410398.db2.gz RWAKFRRAIHSDJG-IBGZPJMESA-N 2 0 310.445 2.994 20 0 DFADRP CC[C@@H]([NH2+][C@@H]1CCCN(CCCO)C1)c1ccc(OC)cc1 ZINC000297236364 427367767 /nfs/dbraw/zinc/36/77/67/427367767.db2.gz IFXNSIHMTUSARD-SJLPKXTDSA-N 2 0 306.450 2.583 20 0 DFADRP Cc1ccc([C@@H](CCn2cncn2)[NH2+]C[C@H](C)C[NH+](C)C)cc1 ZINC000293815305 427447600 /nfs/dbraw/zinc/44/76/00/427447600.db2.gz VURLOVYLFAAWDA-FUHWJXTLSA-N 2 0 315.465 2.505 20 0 DFADRP COc1ccc(CN2CC[C@@H](C[NH+](C)C)C2)c(Cl)c1OC ZINC000271213431 427454023 /nfs/dbraw/zinc/45/40/23/427454023.db2.gz ZDKPKADBDWSPHD-LBPRGKRZSA-N 2 0 312.841 2.741 20 0 DFADRP COC[C@H]([NH2+]C1CCN(c2cc[nH+]cc2)CC1)c1ccco1 ZINC000297790253 427455116 /nfs/dbraw/zinc/45/51/16/427455116.db2.gz WTYDRUJYJUFMET-INIZCTEOSA-N 2 0 301.390 2.621 20 0 DFADRP c1c(CNC2CC[NH+](C3CCCCC3)CC2)nc2ncccn12 ZINC000297808131 427458352 /nfs/dbraw/zinc/45/83/52/427458352.db2.gz XXGUGRCIBVARHG-UHFFFAOYSA-N 2 0 313.449 2.616 20 0 DFADRP Cc1ccc(NC(=O)C[C@H](C)[NH2+]C[C@@H](C)C[NH+](C)C)c(C)c1 ZINC000293874519 427474988 /nfs/dbraw/zinc/47/49/88/427474988.db2.gz YITQMZSGRQXHJP-ZBFHGGJFSA-N 2 0 305.466 2.808 20 0 DFADRP c1[nH+]cn2cc(C[NH2+]Cc3ccc(N4CCCC4)nc3)ccc12 ZINC000297652784 427420663 /nfs/dbraw/zinc/42/06/63/427420663.db2.gz YGFLADLQRHFQEQ-UHFFFAOYSA-N 2 0 307.401 2.619 20 0 DFADRP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)CC1(C[NH3+])CCCCC1 ZINC000184238670 427423360 /nfs/dbraw/zinc/42/33/60/427423360.db2.gz VAFMKNMKGUDGDC-MRXNPFEDSA-N 2 0 309.498 2.666 20 0 DFADRP CC[NH+](CC)CCCN1CCC(C(=O)N[C@H](C)C(C)C)CC1 ZINC000191779681 427423430 /nfs/dbraw/zinc/42/34/30/427423430.db2.gz CMSRDQPHFMFURE-MRXNPFEDSA-N 2 0 311.514 2.591 20 0 DFADRP CC(C)[C@@H]1OCC[C@@H]1C[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000297691299 427429639 /nfs/dbraw/zinc/42/96/39/427429639.db2.gz PWEKEJJNNAKFFK-QAPCUYQASA-N 2 0 303.450 2.701 20 0 DFADRP C[NH+](C)C1(CNC(=O)CCC2CC[NH2+]CC2)CCCCCC1 ZINC000263177725 427431432 /nfs/dbraw/zinc/43/14/32/427431432.db2.gz GJNAXBCEUPKMEK-UHFFFAOYSA-N 2 0 309.498 2.537 20 0 DFADRP c1n[nH]cc1CC[N@@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000297714456 427435013 /nfs/dbraw/zinc/43/50/13/427435013.db2.gz RIGUVMOQVAXHMS-LJQANCHMSA-N 2 0 310.445 2.550 20 0 DFADRP O[C@H](C[NH2+][C@H](Cc1ccccc1Cl)C1CC1)C[NH+]1CCCC1 ZINC000293785119 427435812 /nfs/dbraw/zinc/43/58/12/427435812.db2.gz QJUZPWPPICHSQA-SJLPKXTDSA-N 2 0 322.880 2.707 20 0 DFADRP CC[NH+]1CCN(CCC[NH2+][C@H](C)[C@@H]2C[C@@H]2c2ccccc2)CC1 ZINC000338689026 427440635 /nfs/dbraw/zinc/44/06/35/427440635.db2.gz BIIIHQYFMQYDJA-YZGWKJHDSA-N 2 0 315.505 2.796 20 0 DFADRP C[NH+](C)CCCC1CC[NH+](C[C@H](O)Cc2ccc(F)cc2)CC1 ZINC000293920698 427491086 /nfs/dbraw/zinc/49/10/86/427491086.db2.gz XVRKCMJSOSZJCF-LJQANCHMSA-N 2 0 322.468 2.783 20 0 DFADRP CCOc1cc(C[NH+]2CCC(CC[NH+](C)C)CC2)ccc1O ZINC000297961105 427491562 /nfs/dbraw/zinc/49/15/62/427491562.db2.gz WLWHCFWYRCSXQY-UHFFFAOYSA-N 2 0 306.450 2.955 20 0 DFADRP C[C@H](O)C[NH2+][C@@H]1CCCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000278930760 427505696 /nfs/dbraw/zinc/50/56/96/427505696.db2.gz LERCVDCGDRRSTO-JCHJZTRSSA-N 2 0 302.462 2.648 20 0 DFADRP C[C@@H]([NH2+][C@@H](C)Cn1cccn1)c1ccc(OCC[NH+](C)C)cc1 ZINC000271430172 427534405 /nfs/dbraw/zinc/53/44/05/427534405.db2.gz DJJZIPFJGSNUJK-JKSUJKDBSA-N 2 0 316.449 2.563 20 0 DFADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]CC1([C@@H](O)c2ccccc2)CC1 ZINC000271479739 427555857 /nfs/dbraw/zinc/55/58/57/427555857.db2.gz IUXKNURTFXUUKC-LMSBXDPUSA-N 2 0 302.462 2.819 20 0 DFADRP C[NH+](C)CCOc1cc(C[NH2+][C@H]2CCC[C@H]2CCF)ccn1 ZINC000286318458 427490574 /nfs/dbraw/zinc/49/05/74/427490574.db2.gz XUQNUOURYBHDLN-HOTGVXAUSA-N 2 0 309.429 2.640 20 0 DFADRP COCc1ccc(CN2CC[C@@H](C[N@H+](C)CC3CC3)C2)cc1 ZINC000339009585 427621903 /nfs/dbraw/zinc/62/19/03/427621903.db2.gz LXKQVYVRMQMUCX-IBGZPJMESA-N 2 0 302.462 2.997 20 0 DFADRP C[C@H]1COCC[C@H]1[NH2+]C[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000192536447 427559386 /nfs/dbraw/zinc/55/93/86/427559386.db2.gz DGNUVCQUAIFKPL-YTQUADARSA-N 2 0 302.462 2.566 20 0 DFADRP Oc1ccc(CCC[NH2+]C2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC000298304766 427564623 /nfs/dbraw/zinc/56/46/23/427564623.db2.gz HSEJRRDCAFKOJH-UHFFFAOYSA-N 2 0 311.429 2.978 20 0 DFADRP C[C@H]1[C@@H](N[C@@H]2CC[NH+](C)[C@H](C)C2)CC[N@@H+]1Cc1ccccc1 ZINC000287299047 427573155 /nfs/dbraw/zinc/57/31/55/427573155.db2.gz KOARJPAHBXECBJ-JFRXWTBNSA-N 2 0 301.478 2.722 20 0 DFADRP CCC[C@H]([NH2+]CCCN1CC[NH+](CC)CC1)c1cccnc1 ZINC000185013651 427577452 /nfs/dbraw/zinc/57/74/52/427577452.db2.gz FGRJIBFZROMSHS-SFHVURJKSA-N 2 0 304.482 2.540 20 0 DFADRP CC(C)[C@H](CNC1C[C@H]2CC[C@@H](C1)[N@H+]2C)[NH+]1CCC(C)CC1 ZINC000192662368 427581891 /nfs/dbraw/zinc/58/18/91/427581891.db2.gz GPGVTENCEGIFBY-IPQPSQTFSA-N 3 0 307.526 2.958 20 0 DFADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]C[C@](C)(O)c1cccc(Cl)c1 ZINC000185309134 427631066 /nfs/dbraw/zinc/63/10/66/427631066.db2.gz NJHNSADWEJUFBN-KFZJALRRSA-N 2 0 310.869 2.866 20 0 DFADRP C[C@@H](CCn1cccn1)[NH2+]C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000192923577 427636485 /nfs/dbraw/zinc/63/64/85/427636485.db2.gz DIBPOLFZFMLWJU-HKUYNNGSSA-N 2 0 312.461 2.773 20 0 DFADRP CC(C)[C@@H](CO)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000192934795 427638858 /nfs/dbraw/zinc/63/88/58/427638858.db2.gz OICBIZRBJWTKMW-XVLXNVKGSA-N 2 0 302.462 2.789 20 0 DFADRP COCCCOc1ccc(C[NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)cc1 ZINC000287586816 427647490 /nfs/dbraw/zinc/64/74/90/427647490.db2.gz RJWLQEINJCKPNX-DOTOQJQBSA-N 2 0 306.450 2.674 20 0 DFADRP Cn1cc([C@@H]([NH2+]CCCn2ccnc2)c2ccc(F)cc2)cn1 ZINC000185432731 427652232 /nfs/dbraw/zinc/65/22/32/427652232.db2.gz UDMXLQDVJWXOCB-KRWDZBQOSA-N 2 0 313.380 2.525 20 0 DFADRP C[C@H]1C[C@H]([NH2+]CCC(C)(C)CO)CN(Cc2ccccc2)C1 ZINC000294766644 427657969 /nfs/dbraw/zinc/65/79/69/427657969.db2.gz JSBACIGCSLCHAF-WMZOPIPTSA-N 2 0 304.478 2.895 20 0 DFADRP CC(C)[C@@H]1CCC[C@@H]([NH2+]Cc2nnc(C3CC[NH2+]CC3)[nH]2)C1 ZINC000333608760 427660208 /nfs/dbraw/zinc/66/02/08/427660208.db2.gz RQKDFARGWDQMAQ-HUUCEWRRSA-N 2 0 305.470 2.576 20 0 DFADRP CN(C)CC[NH+]1CCC(C[NH2+]Cc2cc(Cl)cs2)CC1 ZINC000193086711 427663249 /nfs/dbraw/zinc/66/32/49/427663249.db2.gz FIKGGGJVYRHZAE-UHFFFAOYSA-N 2 0 315.914 2.765 20 0 DFADRP C[NH+](C/C=C/C[N@H+](C)CC[C@H]1CCCO1)CC[C@@H]1CCCO1 ZINC000342583608 272027260 /nfs/dbraw/zinc/02/72/60/272027260.db2.gz ICZKVKTWPIGBTB-GEWVGOBGSA-N 2 0 310.482 2.544 20 0 DFADRP CC[NH+](CC)[C@H](CNC(=O)[C@H]1CCC[NH2+][C@@H]1C)c1ccsc1 ZINC000342765241 272052102 /nfs/dbraw/zinc/05/21/02/272052102.db2.gz MZJUZIVBWAAVRA-VNQPRFMTSA-N 2 0 323.506 2.635 20 0 DFADRP CCN1C[C@H](C)[C@H]([NH2+]Cc2ccc(C[NH+]3CCCC3)cc2)C1 ZINC000343032840 272077731 /nfs/dbraw/zinc/07/77/31/272077731.db2.gz HVUSEOXCEOCTIT-QFBILLFUSA-N 2 0 301.478 2.712 20 0 DFADRP CC(C)c1ccc([C@H]([NH3+])CNC(=O)C[C@H]2CCCC[C@@H]2[NH3+])cc1 ZINC000294910417 427667083 /nfs/dbraw/zinc/66/70/83/427667083.db2.gz CCECRYGOQWOEQS-FGTMMUONSA-N 2 0 317.477 2.834 20 0 DFADRP C[C@H]([NH2+]CC1(C)CC[NH+](C)CC1)c1cccc(-n2ccnn2)c1 ZINC000287689647 427671913 /nfs/dbraw/zinc/67/19/13/427671913.db2.gz NBURUTYPKQVKCM-HNNXBMFYSA-N 2 0 313.449 2.650 20 0 DFADRP Cc1cccnc1[C@H]1CCC[C@H]([NH2+]CCOCC[NH+](C)C)C1 ZINC000343463465 272153321 /nfs/dbraw/zinc/15/33/21/272153321.db2.gz ZGOZGERAGVJQMR-IRXDYDNUSA-N 2 0 305.466 2.584 20 0 DFADRP CCC[C@H](C)NC(=O)[C@H](C)[NH+]1CCC(C[NH+](CC)CC)CC1 ZINC000343573121 272173105 /nfs/dbraw/zinc/17/31/05/272173105.db2.gz AWEGAPGNLPKTPP-HOTGVXAUSA-N 2 0 311.514 2.734 20 0 DFADRP CCC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCCC[NH+]1C1CCCC1 ZINC000343641135 272191375 /nfs/dbraw/zinc/19/13/75/272191375.db2.gz NXUQHLQVBQUJLU-MSOLQXFVSA-N 2 0 321.509 2.774 20 0 DFADRP COc1cncc(C[N@@H+]2CC[C@@H](CNc3cccc(C)[nH+]3)C2)c1 ZINC000343833677 272227679 /nfs/dbraw/zinc/22/76/79/272227679.db2.gz ZPHPZNLNTLKRCJ-HNNXBMFYSA-N 2 0 312.417 2.728 20 0 DFADRP CC(C)C1CC([NH2+]Cc2ccncc2OCCC[NH+](C)C)C1 ZINC000343921869 272238288 /nfs/dbraw/zinc/23/82/88/272238288.db2.gz FFIAUNYKCNEBJH-UHFFFAOYSA-N 2 0 305.466 2.936 20 0 DFADRP CO[C@@H]1[C@H](C)[C@H]([NH2+]CCCC[NH+]2C[C@H](C)O[C@@H](C)C2)C1(C)C ZINC000344070464 272256570 /nfs/dbraw/zinc/25/65/70/272256570.db2.gz SMUYZBZXZMCGJD-ZOFXXKQRSA-N 2 0 312.498 2.525 20 0 DFADRP C[NH+](C)CCOc1cnccc1C[NH2+][C@H]1CCC[C@@H]1C1CC1 ZINC000344106998 272264815 /nfs/dbraw/zinc/26/48/15/272264815.db2.gz UREJQYKVWZPOLP-SJORKVTESA-N 2 0 303.450 2.690 20 0 DFADRP CCC[N@H+](CCN1CC[NH+](CC)CC1)Cc1cccc(OC)c1 ZINC000344133673 272270409 /nfs/dbraw/zinc/27/04/09/272270409.db2.gz QLZWTAKIDGMTEV-UHFFFAOYSA-N 2 0 319.493 2.545 20 0 DFADRP C[NH+](C)CCN1CCC([NH2+][C@@H]2CCCc3ccc(F)cc32)CC1 ZINC000344137802 272271824 /nfs/dbraw/zinc/27/18/24/272271824.db2.gz SMKUTJUHAOOMFZ-LJQANCHMSA-N 2 0 319.468 2.819 20 0 DFADRP COc1cc(NC(C)=O)ccc1[C@H](C)[NH2+]CC1=CC[N@H+](C)CC1 ZINC000344296005 272307418 /nfs/dbraw/zinc/30/74/18/272307418.db2.gz LGKZKRHCFYUASG-ZDUSSCGKSA-N 2 0 317.433 2.566 20 0 DFADRP C[C@@H]([NH3+])CCC(=O)N(C)[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000193313865 427683566 /nfs/dbraw/zinc/68/35/66/427683566.db2.gz DEHNEPPIGZXATQ-NUJGCVRESA-N 2 0 317.477 2.625 20 0 DFADRP CC[N@@H+]1CC[C@@H]([NH2+]Cc2cccc(OCCOC)c2)[C@H](C)C1 ZINC000344537249 272335728 /nfs/dbraw/zinc/33/57/28/272335728.db2.gz KAEMYLOFCOCMMU-CRAIPNDOSA-N 2 0 306.450 2.532 20 0 DFADRP Cc1cc2cc(C[NH2+]CC3(O)CC[NH+](C)CC3)oc2cc1C ZINC000344596993 272344046 /nfs/dbraw/zinc/34/40/46/272344046.db2.gz YCNDVNRIJGXZBV-UHFFFAOYSA-N 2 0 302.418 2.596 20 0 DFADRP CC(C)c1nccn1CCC(=O)NC[C@@H]1[N@H+](C)CCCC1(C)C ZINC000344617010 272348797 /nfs/dbraw/zinc/34/87/97/272348797.db2.gz PEFVMSSHXMWMJX-HNNXBMFYSA-N 2 0 320.481 2.633 20 0 DFADRP C[C@@H]1CCCC[N@@H+]1CCC(=O)N1CC[NH+](C2CCC2)C[C@H](C)C1 ZINC000344719590 272359807 /nfs/dbraw/zinc/35/98/07/272359807.db2.gz YMHDFVGOSHJPIE-DLBZAZTESA-N 2 0 321.509 2.584 20 0 DFADRP C[C@@H](C(=O)N1CC[N@@H+](C2CCC2)C[C@@H](C)C1)[NH+]1CCCCCC1 ZINC000344740263 272364633 /nfs/dbraw/zinc/36/46/33/272364633.db2.gz LCSPAAIDYCLGOZ-SJORKVTESA-N 2 0 321.509 2.584 20 0 DFADRP C[C@H](c1ccc(-n2cncn2)cc1)[N@H+](C)CCC[NH+]1CCCC1 ZINC000193459826 427694989 /nfs/dbraw/zinc/69/49/89/427694989.db2.gz COKCORGCYLNEPF-MRXNPFEDSA-N 2 0 313.449 2.746 20 0 DFADRP COc1cc2c(cc1F)[nH+]ccc2N1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000333884410 427700967 /nfs/dbraw/zinc/70/09/67/427700967.db2.gz FLIKRYWWGYVFKG-SUHUHFCYSA-N 2 0 301.365 2.556 20 0 DFADRP CC(C)[NH+]1CCC([NH2+][C@@H](C)c2cccc(-n3ccnn3)c2)CC1 ZINC000287845941 427703510 /nfs/dbraw/zinc/70/35/10/427703510.db2.gz WMPQQPNIHQNPMD-HNNXBMFYSA-N 2 0 313.449 2.791 20 0 DFADRP Cc1nccn1CCCC[NH+]1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000336854739 427760570 /nfs/dbraw/zinc/76/05/70/427760570.db2.gz FXYIKQVZPOFKCT-SFHVURJKSA-N 2 0 304.482 2.635 20 0 DFADRP C[C@@H](C[NH2+]C1CCN(c2cc[nH+]cc2)CC1)C[NH+]1CCCCC1 ZINC000336865143 427766072 /nfs/dbraw/zinc/76/60/72/427766072.db2.gz UKSSCBXBEKNIJH-KRWDZBQOSA-N 3 0 316.493 2.762 20 0 DFADRP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](CCCc3ccc4c(c3)CCO4)C[C@H]21 ZINC000339407909 427769100 /nfs/dbraw/zinc/76/91/00/427769100.db2.gz QDMXKDWHUKXVTQ-KZNAEPCWSA-N 2 0 300.446 2.613 20 0 DFADRP C[C@H]1CC([NH2+]C[C@H](O)CN2CCc3ccccc3C2)C[C@H](C)C1 ZINC000339548614 427791095 /nfs/dbraw/zinc/79/10/95/427791095.db2.gz WUKPJBVWYVXLQW-QINHECLXSA-N 2 0 316.489 2.820 20 0 DFADRP C[N@H+](CCCc1ccc2c(c1)CCO2)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000339409614 427770279 /nfs/dbraw/zinc/77/02/79/427770279.db2.gz HXKBZOWSNBGPMG-JWTNVVGKSA-N 2 0 300.446 2.769 20 0 DFADRP CC(C)[C@@H]([NH3+])CC[N@H+](C)Cc1ccc(-c2cnn(C)c2)s1 ZINC000339411238 427770521 /nfs/dbraw/zinc/77/05/21/427770521.db2.gz XBDCRWNELJPTKZ-HNNXBMFYSA-N 2 0 306.479 2.954 20 0 DFADRP CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]1[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000300201769 427772116 /nfs/dbraw/zinc/77/21/16/427772116.db2.gz AMTPKTXKWARXFK-YHUYYLMFSA-N 2 0 323.481 2.649 20 0 DFADRP c1ccc(CCCO[C@@H]2CC[N@H+](C[C@H]3CCC[NH2+]C3)C2)cc1 ZINC000339427851 427773091 /nfs/dbraw/zinc/77/30/91/427773091.db2.gz DZNIPFUCSRVSBP-RBUKOAKNSA-N 2 0 302.462 2.710 20 0 DFADRP CCc1ccc(NC(=O)CN2CC[C@@]3(C2)CCC[N@H+](C)C3)cc1 ZINC000339433335 427773590 /nfs/dbraw/zinc/77/35/90/427773590.db2.gz OBAVSGFBXCCCKR-IBGZPJMESA-N 2 0 315.461 2.605 20 0 DFADRP COc1ccc(C[N@H+](CC2CC[NH2+]CC2)[C@H](CO)C(C)C)cc1 ZINC000339431099 427773619 /nfs/dbraw/zinc/77/36/19/427773619.db2.gz HXUFNHUABCNOMZ-LJQANCHMSA-N 2 0 320.477 2.514 20 0 DFADRP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+][C@@H](C)c1cc[nH]c(=O)c1 ZINC000339459359 427778269 /nfs/dbraw/zinc/77/82/69/427778269.db2.gz MYQPMFLPHKDEFD-LBPRGKRZSA-N 2 0 309.373 2.527 20 0 DFADRP C([C@H]1CCCO1)[NH+]1CCCC2(CCC[N@@H+](C[C@H]3CCCO3)C2)C1 ZINC000339204738 427730248 /nfs/dbraw/zinc/73/02/48/427730248.db2.gz VNYMWHCPWDJUIJ-PWCSWUJKSA-N 2 0 322.493 2.522 20 0 DFADRP c1ccc(C[NH+]2CC[C@@H]3C[N@@H+](CC4CCOCC4)C[C@H]3C2)cc1 ZINC000336696230 427749606 /nfs/dbraw/zinc/74/96/06/427749606.db2.gz ARVVFCCILZWWEH-WOJBJXKFSA-N 2 0 314.473 2.867 20 0 DFADRP Cc1sccc1C[NH2+]C1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000339300195 427754294 /nfs/dbraw/zinc/75/42/94/427754294.db2.gz BTQKFTZQULABHK-DLBZAZTESA-N 2 0 308.491 2.914 20 0 DFADRP CCc1cc(N2CC[N@H+](CCOC)[C@H](C)C2)c2ccccc2[nH+]1 ZINC000301769119 427822565 /nfs/dbraw/zinc/82/25/65/427822565.db2.gz CVYWFBRHCQVTGM-OAHLLOKOSA-N 2 0 313.445 2.954 20 0 DFADRP CCCc1cc(N2CC[NH+](CCCO)CC2)c2ccccc2[nH+]1 ZINC000301832562 427827710 /nfs/dbraw/zinc/82/77/10/427827710.db2.gz RHGHCDFMHMZDNT-UHFFFAOYSA-N 2 0 313.445 2.692 20 0 DFADRP CC[NH+](CC)CCOCC[NH2+][C@@H]1CCCOc2ccc(F)cc21 ZINC000349674520 427840755 /nfs/dbraw/zinc/84/07/55/427840755.db2.gz ZBPZCGMSEQGLSH-QGZVFWFLSA-N 2 0 324.440 2.987 20 0 DFADRP Cc1[nH+]ccc(N2CC[N@H+](C3CCOCC3)C[C@H]2C)c1Cl ZINC000355678510 427846095 /nfs/dbraw/zinc/84/60/95/427846095.db2.gz FDARLTAQBWLXOI-GFCCVEGCSA-N 2 0 309.841 2.733 20 0 DFADRP Cc1[nH+]c2ccccc2c(N2CC[N@@H+](C[C@H](C)O)[C@H](C)C2)c1C ZINC000302088408 427850560 /nfs/dbraw/zinc/85/05/60/427850560.db2.gz OJOWKKMOZJQOSR-KGLIPLIRSA-N 2 0 313.445 2.743 20 0 DFADRP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]CCc1cc(C(F)(F)F)ccn1 ZINC000340466775 427854118 /nfs/dbraw/zinc/85/41/18/427854118.db2.gz RJXBNJCNBFJVLJ-RISCZKNCSA-N 2 0 301.356 2.573 20 0 DFADRP CCc1cc(OC)ccc1C[NH2+]C[C@H]1CN(CC(C)C)CCO1 ZINC000337343980 427855529 /nfs/dbraw/zinc/85/55/29/427855529.db2.gz SSANCYAKIDUCOW-IBGZPJMESA-N 2 0 320.477 2.704 20 0 DFADRP CCOC(=O)C1CCC([NH2+]CCCCC[NH+]2CCCC2)CC1 ZINC000340472487 427856497 /nfs/dbraw/zinc/85/64/97/427856497.db2.gz CRVVMGRQFRWGPT-UHFFFAOYSA-N 2 0 310.482 2.964 20 0 DFADRP C[C@H]([NH2+]CCCC[N@@H+]1CCC[C@@H](C)C1)C(C)(C)n1cncn1 ZINC000340471089 427857195 /nfs/dbraw/zinc/85/71/95/427857195.db2.gz BQSJXMUZVRWATH-CVEARBPZSA-N 2 0 307.486 2.503 20 0 DFADRP Cc1nccnc1CC[NH2+]C1CC[NH+]([C@@H]2CCCC[C@@H]2C)CC1 ZINC000340488549 427860655 /nfs/dbraw/zinc/86/06/55/427860655.db2.gz BVBQDOYGDOMXKA-HNAYVOBHSA-N 2 0 316.493 2.960 20 0 DFADRP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+][C@@H](CO)CCC(C)(C)C ZINC000355725062 427863299 /nfs/dbraw/zinc/86/32/99/427863299.db2.gz FRNSCABPDKNSDQ-MRXNPFEDSA-N 2 0 316.449 2.853 20 0 DFADRP C[C@H]1CN(C2CC2)C[C@H]1[NH2+]Cc1ccc(OC(F)F)c(F)c1 ZINC000340504511 427865959 /nfs/dbraw/zinc/86/59/59/427865959.db2.gz KQZIMHPXZKVOHQ-IINYFYTJSA-N 2 0 314.351 2.999 20 0 DFADRP C[C@H]1CCC[C@H]([NH2+]CCN2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000302795927 427872468 /nfs/dbraw/zinc/87/24/68/427872468.db2.gz IPVSAGSLWMRAMD-ICSRJNTNSA-N 2 0 315.505 2.973 20 0 DFADRP CC[NH+]1CCC(CCNC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)CC1 ZINC000359498614 427877933 /nfs/dbraw/zinc/87/79/33/427877933.db2.gz YFOQWKMOTMYTSO-GOSISDBHSA-N 2 0 323.525 2.735 20 0 DFADRP C[C@@H]1CN(CCN(C)c2ccnc3ccsc32)C[C@H](C)O1 ZINC000302866162 427880243 /nfs/dbraw/zinc/88/02/43/427880243.db2.gz VAVJAFTUOLUMOG-BETUJISGSA-N 2 0 305.447 2.842 20 0 DFADRP CC(C)(C)NC(=O)C[NH+]1CCC(C[NH2+][C@@H]2CCC23CCC3)CC1 ZINC000337386372 427880414 /nfs/dbraw/zinc/88/04/14/427880414.db2.gz FTTNBCQMLUFYGP-MRXNPFEDSA-N 2 0 321.509 2.535 20 0 DFADRP Fc1cccc(CC[N@@H+]2CCC[C@@H](CN3CCOCC3)C2)c1F ZINC000337397029 427884173 /nfs/dbraw/zinc/88/41/73/427884173.db2.gz JIDXSNAUKSKLNV-OAHLLOKOSA-N 2 0 324.415 2.552 20 0 DFADRP C[C@@H](CCNC(=O)[C@H]1CCC[N@@H+]1C1CCCC1)[NH+]1CCCCC1 ZINC000345758225 427891738 /nfs/dbraw/zinc/89/17/38/427891738.db2.gz XLWQXRYOEXMOHY-FUHWJXTLSA-N 2 0 321.509 2.774 20 0 DFADRP CN(C)c1nccc(N[C@H]2CCC[N@H+](Cc3ccccc3)C2)n1 ZINC000303099596 427896896 /nfs/dbraw/zinc/89/68/96/427896896.db2.gz AEJIFPHBMBWQJY-INIZCTEOSA-N 2 0 311.433 2.619 20 0 DFADRP CN(C)c1nccc(N[C@@H]2CCC[N@H+](Cc3ccccc3)C2)n1 ZINC000303099597 427897981 /nfs/dbraw/zinc/89/79/81/427897981.db2.gz AEJIFPHBMBWQJY-MRXNPFEDSA-N 2 0 311.433 2.619 20 0 DFADRP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]C[C@H](c1ccccc1Cl)N(C)C ZINC000359551203 427904887 /nfs/dbraw/zinc/90/48/87/427904887.db2.gz JRDUARLANNMISX-XOKHGSTOSA-N 2 0 309.885 2.873 20 0 DFADRP CC[C@H](C)[NH2+][C@@H](CNC(=O)C[NH+]1CCC(C)CC1)c1ccco1 ZINC000359549378 427904999 /nfs/dbraw/zinc/90/49/99/427904999.db2.gz VTMODBJTZYQVGA-HOTGVXAUSA-N 2 0 321.465 2.557 20 0 DFADRP CCOc1ccc(CC[NH2+][C@H]2CC[N@H+](C)C[C@H]2C)cc1OCC ZINC000359594436 427926434 /nfs/dbraw/zinc/92/64/34/427926434.db2.gz UIAJLFZXFUUNNU-WBVHZDCISA-N 2 0 320.477 2.956 20 0 DFADRP C[NH2+]CCC1CC[NH+](Cc2cccc3c2OCCCO3)CC1 ZINC000346668513 272667954 /nfs/dbraw/zinc/66/79/54/272667954.db2.gz IRFUTLFYJMEYII-UHFFFAOYSA-N 2 0 304.434 2.669 20 0 DFADRP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ccc(OC(F)F)c(F)c3)C[C@H]21 ZINC000346839709 272692718 /nfs/dbraw/zinc/69/27/18/272692718.db2.gz SKLPZTATQHDYBP-YRGRVCCFSA-N 2 0 314.351 2.986 20 0 DFADRP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@H](C)c1cccc(C2CC2)c1 ZINC000340236289 427963017 /nfs/dbraw/zinc/96/30/17/427963017.db2.gz KENFZQSKTGGYNH-HZPDHXFCSA-N 2 0 301.478 2.851 20 0 DFADRP Fc1ccc(C2([NH2+]CC3CC[NH2+]CC3)CCOCC2)c(F)c1 ZINC000346996226 272708209 /nfs/dbraw/zinc/70/82/09/272708209.db2.gz WFXAGAVSCYMVBN-UHFFFAOYSA-N 2 0 310.388 2.560 20 0 DFADRP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1N[C@@H]1CC[NH+](C)[C@@H](c2ccccc2)C1 ZINC000340263443 427971292 /nfs/dbraw/zinc/97/12/92/427971292.db2.gz VXKBFCBSVJTXGQ-WSTLGDPDSA-N 2 0 313.489 2.894 20 0 DFADRP CC(C)[N@@H+]1CCCC[C@H]1CN1CCC(Cc2nccn2C)CC1 ZINC000340281858 427976649 /nfs/dbraw/zinc/97/66/49/427976649.db2.gz FGNWQSMFESALOI-SFHVURJKSA-N 2 0 318.509 2.938 20 0 DFADRP COC1(C[NH2+]C2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)CCCCC1 ZINC000359700166 427979006 /nfs/dbraw/zinc/97/90/06/427979006.db2.gz MJVNCSVRGPGDGY-MSOLQXFVSA-N 2 0 324.509 2.693 20 0 DFADRP CC(C)CC[C@H](O)C[NH+]1CCC2(C[C@H]2C[N@H+](C)C2CC2)CC1 ZINC000369539742 427991288 /nfs/dbraw/zinc/99/12/88/427991288.db2.gz GJBIUZCKJMDESO-WMZOPIPTSA-N 2 0 308.510 2.980 20 0 DFADRP CC[N@@H+]1C[C@@H](C)N(C(=O)Nc2cccc(C[NH+](C)C)c2)C[C@@H]1C ZINC000345874545 427937166 /nfs/dbraw/zinc/93/71/66/427937166.db2.gz LFKOWTCGGONKIH-LSDHHAIUSA-N 2 0 318.465 2.695 20 0 DFADRP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]Cc1ccc(C[NH+]2CCCC2)cc1 ZINC000359620181 427938688 /nfs/dbraw/zinc/93/86/88/427938688.db2.gz PUODEXNYOHJQKR-VQIMIIECSA-N 3 0 301.478 2.712 20 0 DFADRP COc1cc2[nH+]ccc(N3C[C@H](C)[N@H+](C)C[C@H]3C)c2cc1OC ZINC000413221357 427994646 /nfs/dbraw/zinc/99/46/46/427994646.db2.gz SZLKNLSHTPLFOI-QWHCGFSZSA-N 2 0 315.417 2.781 20 0 DFADRP c1ccc(C[N@@H+]2CC[C@H](N3CC[C@@H](Oc4ccncc4)C3)C2)cc1 ZINC000355903956 427940912 /nfs/dbraw/zinc/94/09/12/427940912.db2.gz INNRBVSJCGXWFO-AZUAARDMSA-N 2 0 323.440 2.809 20 0 DFADRP CC[C@@H]([NH2+]C[C@@H]1CC[N@H+](CC)C1)c1ccc(C(=O)OC)cc1 ZINC000340188849 427949216 /nfs/dbraw/zinc/94/92/16/427949216.db2.gz QKLQEKKEZUCRJT-WMLDXEAASA-N 2 0 304.434 2.856 20 0 DFADRP CCC(C)(C)[NH2+][C@@H](C)C(=O)NC[C@H](C)[N@H+](C)Cc1ccccc1 ZINC000356103466 428023601 /nfs/dbraw/zinc/02/36/01/428023601.db2.gz VEDZIPYRAAMDFB-HOTGVXAUSA-N 2 0 319.493 2.790 20 0 DFADRP C[C@H]1C[N@@H+]2CCCC[C@@H]2CN1CC[NH+](C)Cc1ccc(F)cc1 ZINC000359850524 428045824 /nfs/dbraw/zinc/04/58/24/428045824.db2.gz AUHNPRRQXGMPGH-QFBILLFUSA-N 2 0 319.468 2.816 20 0 DFADRP C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@H]1[NH2+]C[C@@H]1CCCSC1 ZINC000376826074 428005708 /nfs/dbraw/zinc/00/57/08/428005708.db2.gz NPEOFPYNWGFZSX-LTIDMASMSA-N 2 0 312.523 2.609 20 0 DFADRP CC1(C)C[NH+](CCCC[N@@H+]2CCCOC(C)(C)C2)CCCO1 ZINC000369584408 428007889 /nfs/dbraw/zinc/00/78/89/428007889.db2.gz MYTMIIPJYIOHKC-UHFFFAOYSA-N 2 0 312.498 2.768 20 0 DFADRP CC[C@@H](C(=O)NC[C@@H](C)[N@H+](C)Cc1ccccc1)[NH+](CC)CC ZINC000346101056 428020626 /nfs/dbraw/zinc/02/06/26/428020626.db2.gz SIKIWVQSWFJHGM-AEFFLSMTSA-N 2 0 319.493 2.744 20 0 DFADRP C[C@H]([NH3+])c1ccc(NC(=O)c2cccn2C2CC[NH2+]CC2)cc1 ZINC000377130378 428067958 /nfs/dbraw/zinc/06/79/58/428067958.db2.gz SATWKOVFYNKLSN-ZDUSSCGKSA-N 2 0 312.417 2.685 20 0 DFADRP c1cn(-c2csc(C[N@H+]3CC[C@H](C[NH+]4CCCC4)C3)c2)cn1 ZINC000346219866 428076269 /nfs/dbraw/zinc/07/62/69/428076269.db2.gz NFDRVMKYEBOTMY-OAHLLOKOSA-N 2 0 316.474 2.852 20 0 DFADRP COc1ccc2c(c1)[C@H](NCc1c[nH+]ccc1N(C)C)CCO2 ZINC000341550582 428100509 /nfs/dbraw/zinc/10/05/09/428100509.db2.gz RMZYHYRYRHJFAI-MRXNPFEDSA-N 2 0 313.401 2.770 20 0 DFADRP C[C@@H]([NH3+])[C@H]1CC[N@H+](Cc2ccc(OCC(F)(F)F)cc2)C1 ZINC000351853930 428110735 /nfs/dbraw/zinc/11/07/35/428110735.db2.gz PRKPBSFVDZVJOD-YPMHNXCESA-N 2 0 302.340 2.797 20 0 DFADRP C[C@H]([NH3+])[C@@H]1CC[N@H+](Cc2ccc(OCc3ccncc3)cc2)C1 ZINC000351859265 428112975 /nfs/dbraw/zinc/11/29/75/428112975.db2.gz GEDKBYKBFLLWJK-MAUKXSAKSA-N 2 0 311.429 2.830 20 0 DFADRP CC[N@@H+]1CC[C@@H]([NH+](C)CCc2ccc3c(c2)OCCO3)C[C@H]1C ZINC000360027743 428124094 /nfs/dbraw/zinc/12/40/94/428124094.db2.gz OEDUBXUFULEGOL-NVXWUHKLSA-N 2 0 318.461 2.805 20 0 DFADRP O[C@H](CC[N@@H+]1C[C@@H]2C[NH+]3CCCC[C@@H]3[C@@H]2C1)c1ccccc1 ZINC000377124105 428064372 /nfs/dbraw/zinc/06/43/72/428064372.db2.gz CPIRAXIEBIKVCG-NCXUSEDFSA-N 2 0 300.446 2.526 20 0 DFADRP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+]1CCSC(C)(C)C1 ZINC000346199094 428065019 /nfs/dbraw/zinc/06/50/19/428065019.db2.gz KYRADABVLBILSA-UHFFFAOYSA-N 2 0 302.447 2.903 20 0 DFADRP CC(C)[C@@H](CNC(=[NH2+])N1CCC(C)CC1)[NH+]1CCC(C)CC1 ZINC000341635892 428134914 /nfs/dbraw/zinc/13/49/14/428134914.db2.gz QFYRXYZDLWELJN-QGZVFWFLSA-N 2 0 308.514 2.999 20 0 DFADRP c1ccc(C[N@H+]2C[C@@H]3CC[C@H]([NH2+]CC[C@H]4CCOC4)[C@@H]3C2)cc1 ZINC000346360631 428140592 /nfs/dbraw/zinc/14/05/92/428140592.db2.gz JGLAFRRCRFZMPF-HAGHYFMRSA-N 2 0 314.473 2.913 20 0 DFADRP CSC1(C[NH2+][C@@H]2CS[C@@H](C(C)C)C2)CC[NH+](C)CC1 ZINC000356356357 428140971 /nfs/dbraw/zinc/14/09/71/428140971.db2.gz FDMLPLZXYRNGKW-UONOGXRCSA-N 2 0 302.553 2.934 20 0 DFADRP CSC1(C[NH2+]Cc2cnc(C(C)(C)C)nc2)CC[NH+](C)CC1 ZINC000356364596 428146304 /nfs/dbraw/zinc/14/63/04/428146304.db2.gz MBANCHRPJIKMAO-UHFFFAOYSA-N 2 0 322.522 2.691 20 0 DFADRP CCCNC(=[NH2+])NC[C@@H]1CC[N@H+](C)[C@@H]1c1cccc(Cl)c1 ZINC000370167564 428148701 /nfs/dbraw/zinc/14/87/01/428148701.db2.gz QZNNQKSOFIBSSC-DZGCQCFKSA-N 2 0 308.857 2.857 20 0 DFADRP C[NH+]1CCC(O)(C[NH2+][C@@H]2CCCOc3cc(Cl)ccc32)CC1 ZINC000341699030 428161543 /nfs/dbraw/zinc/16/15/43/428161543.db2.gz QHGAIDLKJRCZQD-OAHLLOKOSA-N 2 0 324.852 2.600 20 0 DFADRP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)Nc1ccc(CC[NH+](C)C)cc1 ZINC000360109838 428165281 /nfs/dbraw/zinc/16/52/81/428165281.db2.gz JLYFNIXFEDOXMG-GASCZTMLSA-N 2 0 303.450 2.602 20 0 DFADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)C[C@@H]1CCC[C@@H]1C ZINC000346424613 428167546 /nfs/dbraw/zinc/16/75/46/428167546.db2.gz DLQHUPQAPSZNEY-OKZBNKHCSA-N 2 0 323.525 2.687 20 0 DFADRP CSC1(C[NH2+]Cc2ccccc2C[N@@H+]2CC[C@@H](O)C2)CCC1 ZINC000356433421 428176389 /nfs/dbraw/zinc/17/63/89/428176389.db2.gz RFXGIDJLEYSETL-QGZVFWFLSA-N 2 0 320.502 2.629 20 0 DFADRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@H]1C[C@H](OC(C)(C)C)C1(C)C ZINC000414118229 428210635 /nfs/dbraw/zinc/21/06/35/428210635.db2.gz UTYIZKDSGZBNFY-PMPSAXMXSA-N 2 0 314.514 2.915 20 0 DFADRP O[C@@H]1CCC[C@H]1[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H]2CCC[C@H]21 ZINC000414131024 428213477 /nfs/dbraw/zinc/21/34/77/428213477.db2.gz YMGKCZOAWJDQNU-OMQSBVIBSA-N 2 0 314.473 2.933 20 0 DFADRP Cc1ccc(NC(=O)[C@@H]2C[C@H]2C2CC[NH2+]CC2)c(C[NH+](C)C)c1 ZINC000377742821 428214457 /nfs/dbraw/zinc/21/44/57/428214457.db2.gz IGGHBOSESPRHJC-DLBZAZTESA-N 2 0 315.461 2.631 20 0 DFADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]CCC(C)(C)OC)[C@@H](C)C1 ZINC000346559203 428216912 /nfs/dbraw/zinc/21/69/12/428216912.db2.gz JGRQUKFERQDADC-HOTGVXAUSA-N 2 0 300.487 2.528 20 0 DFADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]CCC(C)(C)OC)[C@H](C)C1 ZINC000346559185 428218449 /nfs/dbraw/zinc/21/84/49/428218449.db2.gz JGRQUKFERQDADC-CVEARBPZSA-N 2 0 300.487 2.528 20 0 DFADRP C[C@H]([NH2+]Cc1ccc2c[nH+]cn2c1)c1ccc2c(c1)OCCO2 ZINC000414163530 428222790 /nfs/dbraw/zinc/22/27/90/428222790.db2.gz GEZIWONEYIBOFF-ZDUSSCGKSA-N 2 0 309.369 2.956 20 0 DFADRP C[N@@H+]1CCCC[C@H]1CC[NH+]1CCC[C@H](C(=O)N2CCCCC2)C1 ZINC000370488017 428223275 /nfs/dbraw/zinc/22/32/75/428223275.db2.gz KFMAWNJSOSNOCN-ROUUACIJSA-N 2 0 321.509 2.585 20 0 DFADRP COC(=O)c1csc([C@H](C)[NH2+]CC[C@H]2CCC[N@H+](C)C2)c1 ZINC000414184681 428227161 /nfs/dbraw/zinc/22/71/61/428227161.db2.gz OCSCKBCIGRYGEN-QWHCGFSZSA-N 2 0 310.463 2.917 20 0 DFADRP Cn1nccc1[C@H]1CCC[C@@H]([NH2+]Cc2ccc3c[nH+]cn3c2)C1 ZINC000414186705 428228281 /nfs/dbraw/zinc/22/82/81/428228281.db2.gz PGPFUAYYCDTJQJ-JKSUJKDBSA-N 2 0 309.417 2.884 20 0 DFADRP CC[NH+](CC)CCC[NH2+]Cc1ccccc1-c1ccnn1C ZINC000352750315 428232186 /nfs/dbraw/zinc/23/21/86/428232186.db2.gz PSHBNAHXIZCQEI-UHFFFAOYSA-N 2 0 300.450 2.909 20 0 DFADRP COc1cccc(OC)c1C[NH2+]C1CCC(C[NH+](C)C)CC1 ZINC000352756920 428234245 /nfs/dbraw/zinc/23/42/45/428234245.db2.gz SJGHBQUZQXLMLI-UHFFFAOYSA-N 2 0 306.450 2.914 20 0 DFADRP CO[C@H](C[NH2+][C@@H]1CC[N@H+](C[C@@H]2CCCO2)C[C@H]1C)C(C)(C)C ZINC000370659443 428264693 /nfs/dbraw/zinc/26/46/93/428264693.db2.gz COUWAKITCQAUGU-YYIAUSFCSA-N 2 0 312.498 2.527 20 0 DFADRP CC(C)[C@H]([NH3+])CCN(C)Cc1nc2c(s1)C[N@@H+](C(C)C)CC2 ZINC000346669473 428265227 /nfs/dbraw/zinc/26/52/27/428265227.db2.gz GKLALVRENRJBGU-CQSZACIVSA-N 2 0 324.538 2.715 20 0 DFADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+][C@@H]1CCN(c2ccc(F)cc2)C1 ZINC000414352104 428266984 /nfs/dbraw/zinc/26/69/84/428266984.db2.gz SLMBEHNXBONBLM-SZXPJGKVSA-N 2 0 305.441 2.723 20 0 DFADRP CC[N@@H+]1CC[C@@H](N[C@@H]2C[C@H]3CC[C@@H](C2)[NH+]3Cc2ccccc2)C1 ZINC000414347449 428267985 /nfs/dbraw/zinc/26/79/85/428267985.db2.gz QZUUIDOFWBHLMA-WTGUMLROSA-N 2 0 313.489 2.866 20 0 DFADRP C[C@H]1C[C@@H](C[NH3+])C[N@@H+]1Cc1cccc(OCC(F)(F)F)c1 ZINC000346694594 428275603 /nfs/dbraw/zinc/27/56/03/428275603.db2.gz VBCWJSZBRRCRNO-AAEUAGOBSA-N 2 0 302.340 2.797 20 0 DFADRP Cc1ccccc1[C@@H](C)[NH+]1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000370732877 428285942 /nfs/dbraw/zinc/28/59/42/428285942.db2.gz SJHLHRKJLSHNRW-QZTJIDSGSA-N 2 0 301.478 2.768 20 0 DFADRP Cc1ccc(-n2ccnc2)c(C(=O)N[C@@H](C)C[N@H+](C)C(C)C)c1 ZINC000356732680 428288672 /nfs/dbraw/zinc/28/86/72/428288672.db2.gz ACNMAENCZBHBSF-HNNXBMFYSA-N 2 0 314.433 2.639 20 0 DFADRP CC1CCC([NH+]2CCC(NC(=O)[C@@H]3CCC[C@H]([NH3+])C3)CC2)CC1 ZINC000370763792 428294954 /nfs/dbraw/zinc/29/49/54/428294954.db2.gz OWKCYMBXMAOREW-NDUQDZPOSA-N 2 0 321.509 2.663 20 0 DFADRP C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2ccc(-c3cc[nH]n3)o2)C1 ZINC000377840951 428242713 /nfs/dbraw/zinc/24/27/13/428242713.db2.gz XGZADXOOJIMOGX-XJKSGUPXSA-N 2 0 300.406 2.586 20 0 DFADRP C[C@H]1CCC[C@@H]([NH+]2CCC([NH2+]CCc3cnccn3)CC2)C1 ZINC000341901439 428246012 /nfs/dbraw/zinc/24/60/12/428246012.db2.gz YROWDYUYTMPZKI-MAUKXSAKSA-N 2 0 302.466 2.652 20 0 DFADRP C[C@@H]1CCC[C@@H]([NH+]2CCC([NH2+]CCc3cnccn3)CC2)C1 ZINC000341901437 428247758 /nfs/dbraw/zinc/24/77/58/428247758.db2.gz YROWDYUYTMPZKI-CRAIPNDOSA-N 2 0 302.466 2.652 20 0 DFADRP COc1cccc(N2CCC([NH2+]CC(C)(C)C[NH+](C)C)CC2)c1 ZINC000370608979 428252761 /nfs/dbraw/zinc/25/27/61/428252761.db2.gz SMCYZDZAQUHDGX-UHFFFAOYSA-N 2 0 319.493 2.841 20 0 DFADRP C[C@H]1C[N@H+](C)CC[C@H]1[NH2+]CC1(c2ccc(F)cc2)CCOCC1 ZINC000360328839 428253361 /nfs/dbraw/zinc/25/33/61/428253361.db2.gz HQPHASQCOHVLMF-MAUKXSAKSA-N 2 0 320.452 2.804 20 0 DFADRP C[C@@H]1C[C@H](NC[C@@H]2CC[NH+](C)[C@@H]2c2cccs2)CC[N@@H+]1C ZINC000370620101 428254171 /nfs/dbraw/zinc/25/41/71/428254171.db2.gz KOMKAZMPNICXGC-DLTWYDFYSA-N 2 0 307.507 2.813 20 0 DFADRP Cc1nn(C(C)C)cc1C[N@@H+]1CC[C@@H](C2CC[NH+](C)CC2)C1 ZINC000377885405 428256453 /nfs/dbraw/zinc/25/64/53/428256453.db2.gz SUOIBSLMLMTQFX-QGZVFWFLSA-N 2 0 304.482 2.936 20 0 DFADRP CC[C@H]([NH2+][C@H]1CCN(C2CC[NH+](C)CC2)C1)c1cccs1 ZINC000370633503 428257164 /nfs/dbraw/zinc/25/71/64/428257164.db2.gz HHQRNGNBQPBDIN-HOCLYGCPSA-N 2 0 307.507 2.957 20 0 DFADRP Cc1nc(C)c([C@@H](C)[NH2+][C@@H]2CCN(C3CC[NH+](C)CC3)C2)s1 ZINC000370632424 428257260 /nfs/dbraw/zinc/25/72/60/428257260.db2.gz APOICJJLBVHUPQ-UKRRQHHQSA-N 2 0 322.522 2.579 20 0 DFADRP Cc1nc(C)c([C@H](C)[NH2+][C@@H]2CCN(C3CC[NH+](C)CC3)C2)s1 ZINC000370632422 428258307 /nfs/dbraw/zinc/25/83/07/428258307.db2.gz APOICJJLBVHUPQ-DZGCQCFKSA-N 2 0 322.522 2.579 20 0 DFADRP Cc1cccc([C@@H](C)[NH2+][C@@H]2CCN(C3CC[NH+](C)CC3)C2)c1 ZINC000370637668 428258982 /nfs/dbraw/zinc/25/89/82/428258982.db2.gz VNYHSZXXYMEGEO-SJLPKXTDSA-N 2 0 301.478 2.814 20 0 DFADRP CC[N@@H+]1CC[C@H](NC2CC[NH+]([C@H](C)Cc3ccccc3)CC2)C1 ZINC000414330928 428260334 /nfs/dbraw/zinc/26/03/34/428260334.db2.gz CKUQEFACDPWXJH-XLIONFOSSA-N 2 0 315.505 2.766 20 0 DFADRP C[N@@H+]1CCCC12CCN(CCC(=O)OCc1ccccc1)CC2 ZINC000360345172 428261626 /nfs/dbraw/zinc/26/16/26/428261626.db2.gz PXBKUNAGXVUMIW-UHFFFAOYSA-N 2 0 316.445 2.680 20 0 DFADRP COc1ccc(CCC[NH2+][C@@H]2CC[N@H+](C)C[C@H]2C)cc1OC ZINC000360485164 428317862 /nfs/dbraw/zinc/31/78/62/428317862.db2.gz STIASULHHRFELC-GDBMZVCRSA-N 2 0 306.450 2.566 20 0 DFADRP C[C@@H]1[C@@H](NC2CC[NH+](CCc3ccccc3)CC2)CCC[N@@H+]1C ZINC000346795736 428322845 /nfs/dbraw/zinc/32/28/45/428322845.db2.gz MSALCEPUEOZNCQ-XLIONFOSSA-N 2 0 315.505 2.766 20 0 DFADRP Cc1cccc(C[NH+]2CCN(CC[NH+]3[C@@H](C)CC[C@@H]3C)CC2)c1 ZINC000352956882 428326316 /nfs/dbraw/zinc/32/63/16/428326316.db2.gz LOKGXAUBDLUOMD-OALUTQOASA-N 2 0 315.505 2.985 20 0 DFADRP Cc1nn(Cc2ccccc2)c(C)c1C[N@@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000346816240 428329630 /nfs/dbraw/zinc/32/96/30/428329630.db2.gz CVZMMSDVJDMHNZ-DFQSSKMNSA-N 2 0 324.472 2.717 20 0 DFADRP [NH3+][C@@H]1CCC[C@H]2C[N@H+](Cc3cnn(-c4ccc(F)cc4)c3)C[C@H]21 ZINC000346822152 428331225 /nfs/dbraw/zinc/33/12/25/428331225.db2.gz FGSXCJKECDOJNC-BMGDILEWSA-N 2 0 314.408 2.571 20 0 DFADRP c1ccc2c(c1)CCN2CC1CC[NH+](C[C@H]2CCC[NH2+]C2)CC1 ZINC000346821492 428331296 /nfs/dbraw/zinc/33/12/96/428331296.db2.gz AIGCQBYEQBVVPE-SFHVURJKSA-N 2 0 313.489 2.761 20 0 DFADRP COCCCOc1cccc(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)c1 ZINC000346826689 428335190 /nfs/dbraw/zinc/33/51/90/428335190.db2.gz MAMGBGLPXPSRQI-YTQUADARSA-N 2 0 318.461 2.661 20 0 DFADRP COCCCOc1cccc(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)c1 ZINC000346826686 428335490 /nfs/dbraw/zinc/33/54/90/428335490.db2.gz MAMGBGLPXPSRQI-QXAKKESOSA-N 2 0 318.461 2.661 20 0 DFADRP Fc1cccc(CN(C[C@@H]2CCCO2)C[C@@H]2CCC[NH2+]C2)c1 ZINC000346840499 428341950 /nfs/dbraw/zinc/34/19/50/428341950.db2.gz GDWOUMMVDCSKOJ-AEFFLSMTSA-N 2 0 306.425 2.806 20 0 DFADRP COc1cc2c(c(C[N@@H+]3C[C@@H]4CCC[C@H]([NH3+])[C@@H]4C3)c1)O[C@@H](C)C2 ZINC000346848952 428345124 /nfs/dbraw/zinc/34/51/24/428345124.db2.gz FTICCJXVLFVAMK-UHIXZJCNSA-N 2 0 316.445 2.578 20 0 DFADRP CCc1cccnc1[C@@H](C)[NH2+]CCCCN1CC[NH+](CC)CC1 ZINC000356882911 428348579 /nfs/dbraw/zinc/34/85/79/428348579.db2.gz VSHWXYRICWQOAF-QGZVFWFLSA-N 2 0 318.509 2.712 20 0 DFADRP CCc1cccnc1[C@H](C)[NH2+]CCCC[N@@H+]1CCC[C@H]1CO ZINC000356887504 428350011 /nfs/dbraw/zinc/35/00/11/428350011.db2.gz YOWYGPGAWFLSJL-RDJZCZTQSA-N 2 0 305.466 2.532 20 0 DFADRP COc1ccc(-c2cnc(CN3CC[C@@]4(CC[NH2+]C4)C3)o2)cc1 ZINC000360566205 428351664 /nfs/dbraw/zinc/35/16/64/428351664.db2.gz XZBKRZJCCCYWRG-GOSISDBHSA-N 2 0 313.401 2.536 20 0 DFADRP CCc1nc(CN2CCC[C@@H]2Cn2ccnc2C(C)C)no1 ZINC000371074649 428354866 /nfs/dbraw/zinc/35/48/66/428354866.db2.gz OSCFEXWAPDUJKC-CYBMUJFWSA-N 2 0 303.410 2.617 20 0 DFADRP Cc1ccc(CN[C@H]2c3ccccc3CC[C@@H]2n2ccnc2)nn1 ZINC000414448398 428301347 /nfs/dbraw/zinc/30/13/47/428301347.db2.gz ZRWHLXFFEUZOLT-OALUTQOASA-N 2 0 319.412 3.000 20 0 DFADRP CC[C@H](F)CN1CCN([C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000352894795 428301899 /nfs/dbraw/zinc/30/18/99/428301899.db2.gz VOJIECSMVPXPJI-OALUTQOASA-N 2 0 319.468 2.627 20 0 DFADRP OC[C@H](Cc1ccc(F)cc1)[NH2+]C1CC[NH+](C2CCCC2)CC1 ZINC000378403577 428387858 /nfs/dbraw/zinc/38/78/58/428387858.db2.gz NMMYQKIMQQXNTO-SFHVURJKSA-N 2 0 320.452 2.726 20 0 DFADRP CC(C)[N@H+](C[C@H](O)COc1ccccc1)C[C@H]1CC[NH2+][C@H](C)C1 ZINC000414741841 428389615 /nfs/dbraw/zinc/38/96/15/428389615.db2.gz LDSLHHVMYQUQKS-SQNIBIBYSA-N 2 0 320.477 2.525 20 0 DFADRP CC(C)[N@H+](C[C@@H](O)COc1ccccc1)C[C@H]1CC[NH2+][C@H](C)C1 ZINC000414741832 428389919 /nfs/dbraw/zinc/38/99/19/428389919.db2.gz LDSLHHVMYQUQKS-FGTMMUONSA-N 2 0 320.477 2.525 20 0 DFADRP C[C@@H]1C[C@@H](CN2CC[NH2+]C[C@@H]2c2cccc(Cl)c2)CC[NH2+]1 ZINC000414739235 428390424 /nfs/dbraw/zinc/39/04/24/428390424.db2.gz PWQQDGLNJVBZAG-JKIFEVAISA-N 2 0 307.869 2.674 20 0 DFADRP C[C@@H]1C[C@H](C[NH+]2CCC(C(=O)NC3CCCCC3)CC2)CC[NH2+]1 ZINC000414741642 428390690 /nfs/dbraw/zinc/39/06/90/428390690.db2.gz HLEZLPTUOGTHQP-HZPDHXFCSA-N 2 0 321.509 2.535 20 0 DFADRP COc1cc(C[N@H+](C[C@@H]2CC[NH2+][C@H](C)C2)C2CC2)ccc1O ZINC000414747719 428391975 /nfs/dbraw/zinc/39/19/75/428391975.db2.gz MXPPKNLJXLTRMT-UKRRQHHQSA-N 2 0 304.434 2.753 20 0 DFADRP [NH3+]C[C@H]1CCCC[C@H]1[NH2+]Cc1cnn(-c2ccc(F)cc2)c1 ZINC000414793450 428414019 /nfs/dbraw/zinc/41/40/19/428414019.db2.gz DLYVLOYCUCAZOC-RHSMWYFYSA-N 2 0 302.397 2.619 20 0 DFADRP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+]C[C@H]1CCCSC1 ZINC000342308699 428395454 /nfs/dbraw/zinc/39/54/54/428395454.db2.gz HWQXOMUOVNIQGT-CQSZACIVSA-N 2 0 302.447 2.809 20 0 DFADRP CCCOc1cc(C[N@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)ccc1OC ZINC000414762664 428396193 /nfs/dbraw/zinc/39/61/93/428396193.db2.gz ATRJKWQISKFGIJ-CALCHBBNSA-N 2 0 318.461 2.915 20 0 DFADRP [NH3+][C@@H]1CCO[C@H]1C1CC[NH+](C/C=C/c2ccc(F)cc2F)CC1 ZINC000414767083 428397424 /nfs/dbraw/zinc/39/74/24/428397424.db2.gz FPLJKAQYWXJCPS-MNSDHWDNSA-N 2 0 322.399 2.806 20 0 DFADRP O[C@@H]1c2ccccc2C[C@H]1[N@@H+]1CCC[C@H](C[NH+]2CCCCC2)C1 ZINC000378443239 428397581 /nfs/dbraw/zinc/39/75/81/428397581.db2.gz RRNCCQVNURNZIO-NSISKUIASA-N 2 0 314.473 2.843 20 0 DFADRP CCCOc1ccc(C[N@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)cc1OC ZINC000414764957 428397967 /nfs/dbraw/zinc/39/79/67/428397967.db2.gz FMVPBOSENYIIKJ-CALCHBBNSA-N 2 0 318.461 2.915 20 0 DFADRP Cn1cc(C[N@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)c(-c2cccs2)n1 ZINC000414771170 428398072 /nfs/dbraw/zinc/39/80/72/428398072.db2.gz QIQBSAUUVJVIMD-OKILXGFUSA-N 2 0 316.474 2.580 20 0 DFADRP Fc1cccc(N2CCCC2)c1C[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000414769872 428398484 /nfs/dbraw/zinc/39/84/84/428398484.db2.gz NXURYXIERJTBBV-IYBDPMFKSA-N 2 0 317.452 2.857 20 0 DFADRP Cn1cc(C[N@@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)c(-c2ccccc2)n1 ZINC000414771992 428399679 /nfs/dbraw/zinc/39/96/79/428399679.db2.gz BBAPZCPETCCPNP-MSOLQXFVSA-N 2 0 324.472 2.909 20 0 DFADRP CCCn1nc(C)c(C[N@@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)c1C ZINC000414773302 428400511 /nfs/dbraw/zinc/40/05/11/428400511.db2.gz DJFAHNYJJAPXLZ-SJORKVTESA-N 2 0 304.482 2.731 20 0 DFADRP [NH3+]C[C@H]1C[N@H+](C/C=C/c2ccc(F)cc2)CC12CCOCC2 ZINC000414773726 428402374 /nfs/dbraw/zinc/40/23/74/428402374.db2.gz DULMABGVLVTDJC-PYKQWIPUSA-N 2 0 304.409 2.526 20 0 DFADRP C[N@H+](Cc1ccc(-n2ccc(C(F)(F)F)n2)cc1)C1CC([NH3+])C1 ZINC000414777933 428404560 /nfs/dbraw/zinc/40/45/60/428404560.db2.gz PHOJNXKAUDBPII-UHFFFAOYSA-N 2 0 324.350 2.813 20 0 DFADRP C[N@H+](CCOCCOc1ccccc1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000353149586 428405708 /nfs/dbraw/zinc/40/57/08/428405708.db2.gz ABKKUTGTGWVSFP-JWTNVVGKSA-N 2 0 318.461 2.639 20 0 DFADRP CC[C@@H]1CCC[C@@H](C[NH+]2CCN([C@@H]3CCC[N@H+](C)C3)CC2)C1 ZINC000371836339 428406346 /nfs/dbraw/zinc/40/63/46/428406346.db2.gz YNVUMHILKBXXGI-GUDVDZBRSA-N 2 0 307.526 2.915 20 0 DFADRP c1ccc(CC[C@H]2CCC[C@H]2[NH2+]CCCN2CC[NH2+]CC2)cc1 ZINC000414782287 428406465 /nfs/dbraw/zinc/40/64/65/428406465.db2.gz OMDBMDZXTAJBKD-WOJBJXKFSA-N 2 0 315.505 2.673 20 0 DFADRP CCOc1cc(C[N@@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)ccc1OC ZINC000414783264 428406611 /nfs/dbraw/zinc/40/66/11/428406611.db2.gz PSHVSCSLGGGFEL-IRXDYDNUSA-N 2 0 318.461 2.915 20 0 DFADRP Cn1cc(C[N@@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)c(C(C)(C)C)n1 ZINC000414782722 428406959 /nfs/dbraw/zinc/40/69/59/428406959.db2.gz ORYUXMYJLLUXJW-LSDHHAIUSA-N 2 0 304.482 2.539 20 0 DFADRP CCOc1ccc(C[N@@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)cc1OC ZINC000414789690 428410102 /nfs/dbraw/zinc/41/01/02/428410102.db2.gz YLXLOYLZSJRCFH-DLBZAZTESA-N 2 0 318.461 2.915 20 0 DFADRP [NH3+]C[C@@H]1CCC[C@H]1[NH2+]Cc1ccc(OCC(F)(F)F)cc1 ZINC000414786018 428410628 /nfs/dbraw/zinc/41/06/28/428410628.db2.gz APWIMKWASHMULO-GXTWGEPZSA-N 2 0 302.340 2.845 20 0 DFADRP [NH3+]C[C@H]1CCC[C@H]1[NH2+]Cc1ccc(OCc2ccncc2)cc1 ZINC000414788667 428411036 /nfs/dbraw/zinc/41/10/36/428411036.db2.gz DSOUVMDYBUXRHZ-IEBWSBKVSA-N 2 0 311.429 2.878 20 0 DFADRP Cn1cc(C[NH2+]C2CC[NH2+]CC2)c(-c2ccccc2Cl)n1 ZINC000414790664 428411992 /nfs/dbraw/zinc/41/19/92/428411992.db2.gz PMNCZUNDQIWAJD-UHFFFAOYSA-N 2 0 304.825 2.582 20 0 DFADRP CC[C@H](c1nc(C2([NH3+])CCC2)no1)N(C)Cc1ccccc1 ZINC000414625054 428357819 /nfs/dbraw/zinc/35/78/19/428357819.db2.gz HYUYBJXQRYDOHS-CQSZACIVSA-N 2 0 300.406 2.991 20 0 DFADRP CCC(C)(C)[NH2+][C@@H](C)C(=O)NCCC[N@H+](C)Cc1ccccc1 ZINC000346885684 428358150 /nfs/dbraw/zinc/35/81/50/428358150.db2.gz RWNWRBIPJSNNJO-INIZCTEOSA-N 2 0 319.493 2.791 20 0 DFADRP COC(=O)CCC[N@@H+]1CCC[C@H]([NH+](C)Cc2ccccc2)CC1 ZINC000371099361 428359364 /nfs/dbraw/zinc/35/93/64/428359364.db2.gz KOSFZTJKUULYOY-SFHVURJKSA-N 2 0 318.461 2.926 20 0 DFADRP COCCCC[N@H+](C)[C@H]1CCC[NH+](CCCCOC)CC1 ZINC000371097385 428360364 /nfs/dbraw/zinc/36/03/64/428360364.db2.gz BOCTTXDMXHBUSP-KRWDZBQOSA-N 2 0 300.487 2.626 20 0 DFADRP C[C@@H](c1ccc(-n2cncn2)cc1)[N@H+](C)C[C@H]1CC[NH2+][C@H](C)C1 ZINC000414674464 428370376 /nfs/dbraw/zinc/37/03/76/428370376.db2.gz SAZIGPOVYFUIDD-PMPSAXMXSA-N 2 0 313.449 2.648 20 0 DFADRP COc1cc(C)c(C[N@H+](C)C[C@@H]2CC[NH2+][C@H](C)C2)cc1OC ZINC000414675265 428370822 /nfs/dbraw/zinc/37/08/22/428370822.db2.gz FNRRKTCYPFLKAB-HUUCEWRRSA-N 2 0 306.450 2.832 20 0 DFADRP Cc1cccc(CN2CC[NH+](C[C@@H]3CC[NH2+][C@H](C)C3)CC2)c1 ZINC000414672566 428371165 /nfs/dbraw/zinc/37/11/65/428371165.db2.gz ATNFYYRQSHVZBI-IEBWSBKVSA-N 2 0 301.478 2.501 20 0 DFADRP CC[C@H](c1ccccc1)[N@H+](CC)C[C@@H]1CCCN(C(=O)C[NH3+])C1 ZINC000414681378 428372868 /nfs/dbraw/zinc/37/28/68/428372868.db2.gz VYHURAVXBKYJGP-FUHWJXTLSA-N 2 0 317.477 2.657 20 0 DFADRP C[C@@H]1C[C@@H](C[N@@H+]2CCC[C@H]2c2cccc3c2OCCO3)CC[NH2+]1 ZINC000414693715 428377764 /nfs/dbraw/zinc/37/77/64/428377764.db2.gz MXADPNLDBNGLCW-VYDXJSESSA-N 2 0 316.445 2.983 20 0 DFADRP C[C@@H]1C[N@H+](C)C[C@@H]1NC[C@@H]1CCCC[NH+](Cc2ccccc2)C1 ZINC000353081712 428379178 /nfs/dbraw/zinc/37/91/78/428379178.db2.gz OEPQHUVKVKGWIK-HOJAQTOUSA-N 2 0 315.505 2.828 20 0 DFADRP CCC[N@H+](C[C@@H]1CC[NH2+][C@H](C)C1)C[C@@H]1COc2ccccc2O1 ZINC000414703730 428380244 /nfs/dbraw/zinc/38/02/44/428380244.db2.gz LVGJKELGKFQMBW-BRWVUGGUSA-N 2 0 318.461 2.927 20 0 DFADRP C[C@@H]1C[C@H](C[N@@H+]2CCO[C@H](CCc3ccccc3)C2)CC[NH2+]1 ZINC000414702398 428381812 /nfs/dbraw/zinc/38/18/12/428381812.db2.gz BJIVGDKPAZXEDY-BHIYHBOVSA-N 2 0 302.462 2.708 20 0 DFADRP CC(C)C[C@H](C[NH3+])NC1CC[NH+](CCc2ccccc2)CC1 ZINC000414853158 428433455 /nfs/dbraw/zinc/43/34/55/428433455.db2.gz RZMVMURUIOVMBT-LJQANCHMSA-N 2 0 303.494 2.657 20 0 DFADRP COCC[NH+]1CCC(NC[C@@H]([NH3+])c2ccc(C(C)C)cc2)CC1 ZINC000414849162 428434174 /nfs/dbraw/zinc/43/41/74/428434174.db2.gz QVYNFVUHMAYCHP-LJQANCHMSA-N 2 0 319.493 2.510 20 0 DFADRP C[NH2+]CCC[NH2+][C@H](C)Cc1ccc(Br)c(F)c1 ZINC000414859012 428435798 /nfs/dbraw/zinc/43/57/98/428435798.db2.gz LTXVUDZPWDANCR-SNVBAGLBSA-N 2 0 303.219 2.718 20 0 DFADRP CCOC(=O)[C@@H]1CC[C@H]([NH2+]CC2([NH3+])CCCCCC2)C[C@H]1C ZINC000414858147 428437040 /nfs/dbraw/zinc/43/70/40/428437040.db2.gz IBIPYPDRPDMMQB-OWCLPIDISA-N 2 0 310.482 2.996 20 0 DFADRP Cc1cccn2c(CN3C[C@@H]4C[N@@H+]5CCCC[C@H]5[C@@H]4C3)cnc12 ZINC000360790189 428439767 /nfs/dbraw/zinc/43/97/67/428439767.db2.gz BSTKEGZCDLQMCD-NXHRZFHOSA-N 2 0 310.445 2.559 20 0 DFADRP Clc1ccc2c(c1)C[C@@H]([NH2+]CCCNCc1cccnc1)C2 ZINC000414872601 428440526 /nfs/dbraw/zinc/44/05/26/428440526.db2.gz FWBZSDXRDKWVQW-SFHVURJKSA-N 2 0 315.848 2.972 20 0 DFADRP CCCOc1c(Cl)cc(C[NH2+]C[C@H](C)C[NH3+])cc1OC ZINC000414880029 428443748 /nfs/dbraw/zinc/44/37/48/428443748.db2.gz QIYOSFUMMCAXCO-LLVKDONJSA-N 2 0 300.830 2.822 20 0 DFADRP C[C@H](CC(=O)Nc1ccccc1C(F)(F)F)[NH2+]C[C@@H](C)C[NH3+] ZINC000414885883 428446113 /nfs/dbraw/zinc/44/61/13/428446113.db2.gz XPOOEIXDCPWUEN-WDEREUQCSA-N 2 0 317.355 2.607 20 0 DFADRP CN(C(=[NH2+])NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1)C1CC1 ZINC000378643507 428447530 /nfs/dbraw/zinc/44/75/30/428447530.db2.gz UKEMBLZCRZBAJJ-INIZCTEOSA-N 2 0 300.450 2.517 20 0 DFADRP CC(C)c1ccccc1NC(=O)C[C@@H](C)[NH2+]C[C@H]([NH3+])C1CC1 ZINC000414895027 428448836 /nfs/dbraw/zinc/44/88/36/428448836.db2.gz VGKKISBRJYIZQT-CJNGLKHVSA-N 2 0 303.450 2.854 20 0 DFADRP CCCOc1cc(C[NH2+]C[C@]2(C)CCC[NH2+]C2)ccc1OC ZINC000414898076 428449000 /nfs/dbraw/zinc/44/90/00/428449000.db2.gz FWINLSSQOJXNIT-GOSISDBHSA-N 2 0 306.450 2.963 20 0 DFADRP CCOc1cc(C[NH2+][C@H](C)CC[NH3+])ccc1OCC(F)(F)F ZINC000414898729 428450658 /nfs/dbraw/zinc/45/06/58/428450658.db2.gz TWHSVSSORCJYAT-LLVKDONJSA-N 2 0 320.355 2.853 20 0 DFADRP CC[NH+]1CCN([C@H](C)C[NH2+][C@@H](C)C2CCC(F)(F)CC2)CC1 ZINC000353249319 428450792 /nfs/dbraw/zinc/45/07/92/428450792.db2.gz LVSZEPVYWMMRCS-CABCVRRESA-N 2 0 317.468 2.816 20 0 DFADRP CC1(C[NH2+]Cc2c[nH]nc2-c2ccc(F)cc2)CC[NH2+]CC1 ZINC000414904523 428452162 /nfs/dbraw/zinc/45/21/62/428452162.db2.gz NJPJZFFAOJMQMC-UHFFFAOYSA-N 2 0 302.397 2.695 20 0 DFADRP [NH3+][C@@H](Cc1ccccc1)[C@@H](O)C[N@@H+]1CCC2(C1)CCCCC2 ZINC000390117278 428470550 /nfs/dbraw/zinc/47/05/50/428470550.db2.gz MLVHGAAWYSRMPZ-ROUUACIJSA-N 2 0 302.462 2.574 20 0 DFADRP C[C@@H]([NH3+])C1CC[NH+](Cc2c(C3CC3)nc3sccn23)CC1 ZINC000347115839 428454127 /nfs/dbraw/zinc/45/41/27/428454127.db2.gz UFLCOGITAKJLTR-LLVKDONJSA-N 2 0 304.463 2.832 20 0 DFADRP c1ccc(CN2CC[NH+](CCCC3CC[NH2+]CC3)CC2)cc1 ZINC000381477200 428454601 /nfs/dbraw/zinc/45/46/01/428454601.db2.gz AAGJLCQSBHKJCC-UHFFFAOYSA-N 2 0 301.478 2.584 20 0 DFADRP Cn1c(C[NH2+]CC2(C)CC[NH2+]CC2)nc2cc(Cl)ccc21 ZINC000414910094 428454810 /nfs/dbraw/zinc/45/48/10/428454810.db2.gz SHRSGPGZFXXTQJ-UHFFFAOYSA-N 2 0 306.841 2.706 20 0 DFADRP COc1ccc(C[NH2+][C@@H]2CCC[NH2+]CC2)cc1OC(F)F ZINC000414920465 428456735 /nfs/dbraw/zinc/45/67/35/428456735.db2.gz XTDGORWFKVVASV-GFCCVEGCSA-N 2 0 300.349 2.528 20 0 DFADRP CCCCCOc1cc(C[NH2+]C[C@@H]2CC[NH2+]C2)ccc1OC ZINC000414920072 428457369 /nfs/dbraw/zinc/45/73/69/428457369.db2.gz YLCRTJMADPYWNP-MRXNPFEDSA-N 2 0 306.450 2.963 20 0 DFADRP CC1(C)CCC[NH2+][C@@H]1CN[C@H]1CC[NH2+][C@H](c2ccccc2)C1 ZINC000414923019 428459492 /nfs/dbraw/zinc/45/94/92/428459492.db2.gz DOFDIXKJNZKEQN-OKZBNKHCSA-N 2 0 301.478 2.848 20 0 DFADRP COc1ccc(C[NH2+][C@@H]2CCC[C@@H]([NH3+])C2)c(OC(F)F)c1 ZINC000414929649 428459820 /nfs/dbraw/zinc/45/98/20/428459820.db2.gz RWILLLFULMUYQG-VXGBXAGGSA-N 2 0 300.349 2.656 20 0 DFADRP CC[NH2+][C@H](C)C[NH2+]C1CCN(C(=O)c2ccccc2Cl)CC1 ZINC000414934272 428462593 /nfs/dbraw/zinc/46/25/93/428462593.db2.gz AJBUABOUTGAHBV-CYBMUJFWSA-N 2 0 323.868 2.532 20 0 DFADRP C[C@@H]1C[C@@H](NC2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)CC[NH2+]1 ZINC000414942928 428465906 /nfs/dbraw/zinc/46/59/06/428465906.db2.gz DUCKBAVCGUYBNY-XAOHYQHJSA-N 2 0 313.489 2.912 20 0 DFADRP C[C@@H]1C[C@H](N[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)CC[NH2+]1 ZINC000414944853 428466989 /nfs/dbraw/zinc/46/69/89/428466989.db2.gz HLGSNUWDFIJJNK-PSBWJHGTSA-N 2 0 301.478 2.770 20 0 DFADRP C[C@@H]1C[C@H](N[C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)CC[NH2+]1 ZINC000414948537 428467703 /nfs/dbraw/zinc/46/77/03/428467703.db2.gz MFYAXRYWKCDXIQ-MTEHYEEQSA-N 2 0 313.489 2.627 20 0 DFADRP C[C@@H]([NH3+])[C@H]1CCC[N@H+](Cc2cnc(-c3ccncc3)s2)C1 ZINC000347035455 428415916 /nfs/dbraw/zinc/41/59/16/428415916.db2.gz GTNPVIQKVMFELB-OCCSQVGLSA-N 2 0 302.447 2.764 20 0 DFADRP COc1ccc2nc(C[NH2+][C@H]3CCCC[C@@H]3C[NH3+])sc2c1 ZINC000414801507 428416116 /nfs/dbraw/zinc/41/61/16/428416116.db2.gz LXEARESCVALOEK-YPMHNXCESA-N 2 0 305.447 2.912 20 0 DFADRP CC[NH+](CC)[C@@H](CNC(=O)CC1CC[NH+](C)CC1)c1ccco1 ZINC000347032629 428416148 /nfs/dbraw/zinc/41/61/48/428416148.db2.gz BBSZBCQIKLSECP-INIZCTEOSA-N 2 0 321.465 2.511 20 0 DFADRP Cc1nn(-c2ccc(F)cc2)cc1C[NH2+][C@@H]1CCCC[C@H]1C[NH3+] ZINC000414803234 428416308 /nfs/dbraw/zinc/41/63/08/428416308.db2.gz NJLQXIBZUYYOGH-KBXCAEBGSA-N 2 0 316.424 2.927 20 0 DFADRP COc1cccc(NC(=O)C[C@H](C)[NH2+][C@H]2CCCC[C@@H]2C[NH3+])c1 ZINC000414796650 428416375 /nfs/dbraw/zinc/41/63/75/428416375.db2.gz HXHAVLAZYOYHSQ-VBQJREDUSA-N 2 0 319.449 2.519 20 0 DFADRP Cc1ccc(NC(=O)C[C@H](C)[NH2+][C@H]2CCC[C@H]2C[NH3+])c(C)c1 ZINC000414798476 428416471 /nfs/dbraw/zinc/41/64/71/428416471.db2.gz JGGNCSQPHHJSHV-ZOBUZTSGSA-N 2 0 303.450 2.738 20 0 DFADRP CCOC(=O)C1CCC([NH2+]Cc2ccc([C@H](C)[NH3+])cc2)CC1 ZINC000414806771 428418023 /nfs/dbraw/zinc/41/80/23/428418023.db2.gz IEJZEKDLCGEVQE-IGEOTXOUSA-N 2 0 304.434 2.918 20 0 DFADRP C[C@H](CC(=O)Nc1ccc(F)cc1)[NH2+][C@@H]1CCCC[C@H]1C[NH3+] ZINC000414811011 428418624 /nfs/dbraw/zinc/41/86/24/428418624.db2.gz VWBVDZRMEVPQIT-DVOMOZLQSA-N 2 0 307.413 2.650 20 0 DFADRP Cc1cc(-n2ccnc2)ccc1CN1CC[S@](=O)[C@@H](C)[C@@H]1C ZINC000360735203 428419064 /nfs/dbraw/zinc/41/90/64/428419064.db2.gz GPVHFDXIFPWLMO-DFFLPILJSA-N 2 0 317.458 2.522 20 0 DFADRP Cc1ccccc1NC(=O)C[C@H](C)[NH2+][C@H]1CCCC[C@H]1C[NH3+] ZINC000414810988 428419239 /nfs/dbraw/zinc/41/92/39/428419239.db2.gz VULNFTWGWBNWPI-ZOBUZTSGSA-N 2 0 303.450 2.819 20 0 DFADRP C[C@H](CC(=O)Nc1ccc(F)cc1)[NH2+][C@H]1CCCC[C@H]1C[NH3+] ZINC000414811013 428419961 /nfs/dbraw/zinc/41/99/61/428419961.db2.gz VWBVDZRMEVPQIT-WWGRRREGSA-N 2 0 307.413 2.650 20 0 DFADRP CSc1cc2c(cc1C[NH2+][C@@H]1CCCC[C@H]1C[NH3+])OCCO2 ZINC000414812576 428420998 /nfs/dbraw/zinc/42/09/98/428420998.db2.gz XLWXOJRLMBZCGX-GXTWGEPZSA-N 2 0 322.474 2.787 20 0 DFADRP c1cc(OC[C@H]2CCCO2)ccc1C[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000414812263 428422498 /nfs/dbraw/zinc/42/24/98/428422498.db2.gz KPOSKXPJMGABKB-SUTQANCOSA-N 2 0 316.445 2.617 20 0 DFADRP C[N@H+](C[C@H](O)Cc1cccc(Cl)c1)C[C@H]1CCC[NH+](C)C1 ZINC000347048015 428425168 /nfs/dbraw/zinc/42/51/68/428425168.db2.gz HRWRFZGNRXRIAQ-DOTOQJQBSA-N 2 0 310.869 2.517 20 0 DFADRP c1cc(C[NH+]2CCC([C@H]3CCC[NH2+]3)CC2)c2c(c1)OCCCO2 ZINC000347053552 428426462 /nfs/dbraw/zinc/42/64/62/428426462.db2.gz SNNBOIMWRXYWDE-QGZVFWFLSA-N 2 0 316.445 2.812 20 0 DFADRP CCN(CC[C@@H]1CCCC[N@@H+]1C)CC(=O)N1CCCCCC1 ZINC000353199656 428427601 /nfs/dbraw/zinc/42/76/01/428427601.db2.gz KMJAVFSFLMHVBD-KRWDZBQOSA-N 2 0 309.498 2.585 20 0 DFADRP C[C@H](c1ccccc1)N1CC[C@@H]([NH2+]CC[C@@H]2CCC[NH2+]C2)C1 ZINC000414838072 428429648 /nfs/dbraw/zinc/42/96/48/428429648.db2.gz KSFDHEFAPHOYOF-ZIFCJYIRSA-N 2 0 301.478 2.801 20 0 DFADRP C[C@@H](CCc1ccc2c(c1)OCO2)[NH2+]CC1([NH3+])CCCCC1 ZINC000414838413 428429695 /nfs/dbraw/zinc/42/96/95/428429695.db2.gz HZXBDTUOHWOWDZ-AWEZNQCLSA-N 2 0 304.434 2.988 20 0 DFADRP C[C@H]1C[NH2+]CC[C@@H]1NCC(C)(C)C[N@H+](C)Cc1ccccc1 ZINC000414950725 428470050 /nfs/dbraw/zinc/47/00/50/428470050.db2.gz GJRAGSWLFOQCMY-WMZOPIPTSA-N 2 0 303.494 2.732 20 0 DFADRP C[C@H](c1ccccc1)N1CC[C@H]([NH2+]CCC[C@H]2CCC[NH2+]2)C1 ZINC000414981476 428480150 /nfs/dbraw/zinc/48/01/50/428480150.db2.gz XPUXVPTVKFSUSI-QRQLOZEOSA-N 3 0 301.478 2.944 20 0 DFADRP Cc1[nH+]ccc(NC2CC[NH+](CCOC(C)C)CC2)c1Cl ZINC000357320689 428481860 /nfs/dbraw/zinc/48/18/60/428481860.db2.gz DMAGNGREQHEPIV-UHFFFAOYSA-N 2 0 311.857 2.767 20 0 DFADRP [NH3+][C@@H]1CCC[C@@H](C[NH2+]Cc2cc(Cl)c3c(c2)OCCO3)C1 ZINC000414990679 428482093 /nfs/dbraw/zinc/48/20/93/428482093.db2.gz IXTSZRIAXAZKOU-DGCLKSJQSA-N 2 0 310.825 2.718 20 0 DFADRP Cc1nn(-c2cccc(F)c2)cc1C[NH2+]C[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000414990723 428482710 /nfs/dbraw/zinc/48/27/10/428482710.db2.gz AMYDCBZXBXOGGJ-RHSMWYFYSA-N 2 0 316.424 2.927 20 0 DFADRP C[C@H](CCc1ccc2c(c1)OCO2)[NH2+]C[C@H]1CCC[C@H]([NH3+])C1 ZINC000414996545 428483294 /nfs/dbraw/zinc/48/32/94/428483294.db2.gz GMASENZCWUQOQB-KBMXLJTQSA-N 2 0 304.434 2.844 20 0 DFADRP CC(C)CCC[C@H](C)[NH2+]C[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000414990239 428483628 /nfs/dbraw/zinc/48/36/28/428483628.db2.gz RMSLASWXFIHREK-UONOGXRCSA-N 2 0 309.420 2.627 20 0 DFADRP Cc1c(Cl)cccc1NC(=O)CC[NH2+][C@H]1CC[N@@H+](C)C[C@H]1C ZINC000360896191 428484067 /nfs/dbraw/zinc/48/40/67/428484067.db2.gz DREWNZNICYQTSZ-DOMZBBRYSA-N 2 0 323.868 2.907 20 0 DFADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+]Cc1cc(Cl)cc2c1OCC2 ZINC000415004681 428484182 /nfs/dbraw/zinc/48/41/82/428484182.db2.gz YMNZUGQUFYINFQ-IUOZQUQDSA-N 2 0 306.837 2.880 20 0 DFADRP CC[C@H](C)C[C@H](CC)[NH2+]C[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000414998238 428484972 /nfs/dbraw/zinc/48/49/72/428484972.db2.gz ZFMSBHZMHRCICZ-MELADBBJSA-N 2 0 309.420 2.627 20 0 DFADRP [NH3+][C@H]1CCC[C@@H](C[NH2+]Cc2cccc(O)c2Br)C1 ZINC000415003525 428485204 /nfs/dbraw/zinc/48/52/04/428485204.db2.gz NFUGXXULMJGWSA-PWSUYJOCSA-N 2 0 313.239 2.762 20 0 DFADRP CC(C)N1CCc2nc(C[NH2+]C[C@@H]3CCC[C@H]([NH3+])C3)sc2C1 ZINC000415002332 428485932 /nfs/dbraw/zinc/48/59/32/428485932.db2.gz MBUBKHUVTGAQRK-KGLIPLIRSA-N 2 0 322.522 2.517 20 0 DFADRP Fc1cccc(N2CCCC2)c1C[NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000415001447 428486259 /nfs/dbraw/zinc/48/62/59/428486259.db2.gz CJFCOOYLHROBHL-MAUKXSAKSA-N 2 0 317.452 2.904 20 0 DFADRP C[C@H]([NH3+])[C@@H]1CCC[N@H+](Cc2ccc(Oc3cnccn3)cc2)C1 ZINC000347186594 428486812 /nfs/dbraw/zinc/48/68/12/428486812.db2.gz BZKARRGQAMMGHG-GOEBONIOSA-N 2 0 312.417 2.828 20 0 DFADRP CCOc1c(Cl)cc(C[NH2+][C@H](C)CCC[NH3+])cc1OC ZINC000415022328 428490130 /nfs/dbraw/zinc/49/01/30/428490130.db2.gz LIOVFNHHINHEEE-LLVKDONJSA-N 2 0 300.830 2.964 20 0 DFADRP CCOc1c(Cl)cc(C[NH2+][C@@H](C)CCC[NH3+])cc1OC ZINC000415022329 428490475 /nfs/dbraw/zinc/49/04/75/428490475.db2.gz LIOVFNHHINHEEE-NSHDSACASA-N 2 0 300.830 2.964 20 0 DFADRP CC[C@H]([NH2+]C1CC[NH+](CC2CC2)CC1)C1(C(=O)OC)CCC1 ZINC000353337546 428492032 /nfs/dbraw/zinc/49/20/32/428492032.db2.gz PSFBCKKARVIFFM-INIZCTEOSA-N 2 0 308.466 2.572 20 0 DFADRP [NH3+]C[C@@H]1CC[C@H]([NH2+]Cc2ccc(OCC(F)(F)F)c(F)c2)C1 ZINC000415029592 428493653 /nfs/dbraw/zinc/49/36/53/428493653.db2.gz DYRQPUWXWIYFAK-PWSUYJOCSA-N 2 0 320.330 2.984 20 0 DFADRP [NH3+]C[C@H]1CC[C@@H]([NH2+]Cc2c(F)cccc2Br)C1 ZINC000415029976 428493751 /nfs/dbraw/zinc/49/37/51/428493751.db2.gz FJDRAXZPWRRCCV-VHSXEESVSA-N 2 0 301.203 2.805 20 0 DFADRP [NH3+]C[C@H]1CC[C@@H]([NH2+]Cc2ccc(Br)c(F)c2)C1 ZINC000415027023 428493854 /nfs/dbraw/zinc/49/38/54/428493854.db2.gz AQQWKCUPEIWRJX-GXSJLCMTSA-N 2 0 301.203 2.805 20 0 DFADRP [NH3+]C[C@@H]1CC[C@H]([NH2+]Cc2ccc(Br)c(F)c2)C1 ZINC000415027024 428494299 /nfs/dbraw/zinc/49/42/99/428494299.db2.gz AQQWKCUPEIWRJX-KOLCDFICSA-N 2 0 301.203 2.805 20 0 DFADRP COc1ccc(C[NH2+][C@@H]2CC[C@@H](C[NH3+])C2)cc1OC(F)F ZINC000415034218 428495594 /nfs/dbraw/zinc/49/55/94/428495594.db2.gz JQMQZOYOUZQKES-ZYHUDNBSSA-N 2 0 300.349 2.514 20 0 DFADRP C[C@H](Cc1cccc(C(F)(F)F)c1)[NH2+]C[C@@H]1C[NH2+]CCCO1 ZINC000415044580 428497658 /nfs/dbraw/zinc/49/76/58/428497658.db2.gz SFXSYKYEYQFFRB-DOMZBBRYSA-N 2 0 316.367 2.605 20 0 DFADRP C[N@H+](C/C=C/c1ccc(Cl)cc1)C1CCN(CCO)CC1 ZINC000353359434 428500635 /nfs/dbraw/zinc/50/06/35/428500635.db2.gz ANYWYLQCAXXIMI-NSCUHMNNSA-N 2 0 308.853 2.742 20 0 DFADRP C[C@@H]1C[C@@H](N[C@H]2CCC[NH2+][C@H]2C)CC[N@@H+]1Cc1ccccc1 ZINC000396622656 428501986 /nfs/dbraw/zinc/50/19/86/428501986.db2.gz VGNBOPACNOYJAK-NEPXVJNWSA-N 2 0 301.478 2.770 20 0 DFADRP CC(C)C[C@@H]([NH2+][C@@H](C)C1CCCCC1)C(=O)NCC[NH+](C)C ZINC000347231837 428502960 /nfs/dbraw/zinc/50/29/60/428502960.db2.gz PMLGJLAJXWRUOF-DOTOQJQBSA-N 2 0 311.514 2.637 20 0 DFADRP CCN(C)c1ccc(C[N@@H+]2CCCC[C@@H]2[C@H]2CC[NH2+]C2)cn1 ZINC000415056590 428504964 /nfs/dbraw/zinc/50/49/64/428504964.db2.gz SMQAYDRNMHFTMD-DLBZAZTESA-N 2 0 302.466 2.502 20 0 DFADRP C[C@@H](C[NH2+]C1CCC([NH+]2CCNCC2)CC1)c1ccccc1 ZINC000415060362 428507210 /nfs/dbraw/zinc/50/72/10/428507210.db2.gz WMLUDOGJXUTPRC-IVMQYODDSA-N 2 0 301.478 2.596 20 0 DFADRP C[C@H](CC(=O)Nc1cccc(Cl)c1)[N@@H+]1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000415061741 428507797 /nfs/dbraw/zinc/50/77/97/428507797.db2.gz XDSSKVVVHBEFFS-PBFPGSCMSA-N 2 0 323.868 2.974 20 0 DFADRP CCC(=O)N1CCC[C@H]1[C@H]1CCC[N@H+]1CCC[NH+](CC)CC ZINC000372947134 428508657 /nfs/dbraw/zinc/50/86/57/428508657.db2.gz JHHKRFGLANIGBT-SJORKVTESA-N 2 0 309.498 2.584 20 0 DFADRP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+]CCn1cnc2ccccc21 ZINC000415074543 428508690 /nfs/dbraw/zinc/50/86/90/428508690.db2.gz AOCNSZWLFBGBCE-HZPDHXFCSA-N 2 0 300.450 2.937 20 0 DFADRP CC(C)[C@H]([NH2+][C@@H](C)[C@@H]1CC[NH2+]C1)c1ccc2c(c1)OCCO2 ZINC000415072860 428510391 /nfs/dbraw/zinc/51/03/91/428510391.db2.gz AFSNEYHBLPBFBD-JOQOYGCGSA-N 2 0 304.434 2.743 20 0 DFADRP C[C@@H]1C[C@H](N[C@@H]2CCCC[NH2+]C2)CC[N@@H+]1Cc1ccccc1 ZINC000415067026 428510906 /nfs/dbraw/zinc/51/09/06/428510906.db2.gz JWOBYIQEBHPFGD-BHIYHBOVSA-N 2 0 301.478 2.771 20 0 DFADRP CC(C)[C@H]([NH2+][C@H](C)[C@@H]1CC[NH2+]C1)c1ccc2c(c1)OCCO2 ZINC000415072863 428511137 /nfs/dbraw/zinc/51/11/37/428511137.db2.gz AFSNEYHBLPBFBD-SIIHOXLZSA-N 2 0 304.434 2.743 20 0 DFADRP C[C@H](C[C@@H]1CCC[NH2+]1)[NH2+][C@H]1CCO[C@@H]1c1ccc(F)c(F)c1 ZINC000415082296 428511727 /nfs/dbraw/zinc/51/17/27/428511727.db2.gz DDGHTDKSAHPKMN-NYUZSIGZSA-N 2 0 310.388 2.915 20 0 DFADRP COc1ccccc1N1CCC([NH2+]C[C@@H]2CC[NH2+][C@@H](C)C2)CC1 ZINC000415076537 428512693 /nfs/dbraw/zinc/51/26/93/428512693.db2.gz CTOKSSALNAGEFC-JKSUJKDBSA-N 2 0 317.477 2.642 20 0 DFADRP C[C@@H]([NH2+]Cc1ccc(OCC(F)(F)F)cc1)[C@@H]1CC[NH2+]C1 ZINC000415079688 428512957 /nfs/dbraw/zinc/51/29/57/428512957.db2.gz IHAXXJQIACGBRN-DGCLKSJQSA-N 2 0 302.340 2.715 20 0 DFADRP COc1ccc([C@H](CNCC(C)(C)[NH3+])[NH+]2CCCCC2)cc1 ZINC000415085632 428514795 /nfs/dbraw/zinc/51/47/95/428514795.db2.gz QMLKDOPRWBRMCC-KRWDZBQOSA-N 2 0 305.466 2.549 20 0 DFADRP Fc1cc(Br)cc(C[NH2+]C[C@@H]2CCC[NH2+]C2)c1 ZINC000415085429 428516305 /nfs/dbraw/zinc/51/63/05/428516305.db2.gz QOANZIQVAXFXJC-SNVBAGLBSA-N 2 0 301.203 2.677 20 0 DFADRP c1cc(N2CCCCCC2)ncc1C[NH2+]C[C@@H]1CCC[NH2+]C1 ZINC000415086854 428516624 /nfs/dbraw/zinc/51/66/24/428516624.db2.gz SAQJTJZIIURXBN-MRXNPFEDSA-N 2 0 302.466 2.551 20 0 DFADRP C[C@H](C[C@@H]1CCC[NH2+]1)[NH2+][C@@H]1CCN(c2c(F)cccc2F)C1 ZINC000415087397 428516826 /nfs/dbraw/zinc/51/68/26/428516826.db2.gz TUDWMZFHPQLPFA-HZSPNIEDSA-N 2 0 309.404 2.664 20 0 DFADRP COc1ccc(C(C)(C)C[NH2+][C@@H]2CCC[NH2+]CC2)cc1OC ZINC000415087268 428516924 /nfs/dbraw/zinc/51/69/24/428516924.db2.gz VTUQHMATZBXCGJ-OAHLLOKOSA-N 2 0 306.450 2.713 20 0 DFADRP C[N@@H+]1CC[C@H]([NH2+]CCOc2ccc(F)cc2F)[C@@H]2CCC[C@H]21 ZINC000353392374 428517470 /nfs/dbraw/zinc/51/74/70/428517470.db2.gz GIXFAAMXRQXSHF-CWRNSKLLSA-N 2 0 310.388 2.806 20 0 DFADRP C[NH+](C)Cc1cc(C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)ccc1F ZINC000415097263 428517442 /nfs/dbraw/zinc/51/74/42/428517442.db2.gz CMDVZFFWBFEGPJ-QXAKKESOSA-N 3 0 319.468 2.898 20 0 DFADRP C[C@H]([NH2+]CC1(N)CC[NH+](Cc2ccccc2)CC1)C1CCC1 ZINC000415133076 428531862 /nfs/dbraw/zinc/53/18/62/428531862.db2.gz MIRZWBPUIITSDI-INIZCTEOSA-N 2 0 301.478 2.758 20 0 DFADRP C[NH+](C)Cc1cc(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)ccc1F ZINC000415097260 428519285 /nfs/dbraw/zinc/51/92/85/428519285.db2.gz CMDVZFFWBFEGPJ-BHIYHBOVSA-N 3 0 319.468 2.898 20 0 DFADRP COc1ccc(-c2n[nH]cc2C[N@@H+]2CC[C@H](C)[C@H](C[NH3+])C2)cc1 ZINC000415100912 428519849 /nfs/dbraw/zinc/51/98/49/428519849.db2.gz AUJOYUJRZUCUGT-DZGCQCFKSA-N 2 0 314.433 2.502 20 0 DFADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)CCC(C)(C)[NH3+] ZINC000398084371 428520200 /nfs/dbraw/zinc/52/02/00/428520200.db2.gz SXNMURRJYRLERS-WBVHZDCISA-N 2 0 317.477 2.531 20 0 DFADRP CC(C)OC(=O)C[C@@H]([NH2+]CC1CC[NH2+]CC1)c1ccccc1 ZINC000415106058 428521293 /nfs/dbraw/zinc/52/12/93/428521293.db2.gz NUCMBIWHUFPZEI-QGZVFWFLSA-N 2 0 304.434 2.659 20 0 DFADRP CC(C)OC(=O)C[C@H]([NH2+]C1CCC([NH3+])CC1)c1ccccc1 ZINC000415105626 428521479 /nfs/dbraw/zinc/52/14/79/428521479.db2.gz MTQQDWGZMZCJJT-JCYILVPMSA-N 2 0 304.434 2.929 20 0 DFADRP FC(F)(F)[C@H]1CC[N@H+](C[C@@H]2CCC[NH2+]C2)CC12CCOCC2 ZINC000415103746 428522626 /nfs/dbraw/zinc/52/26/26/428522626.db2.gz DABIVFMCGKMCII-KGLIPLIRSA-N 2 0 320.399 2.667 20 0 DFADRP C[C@H]1C[C@H](C[NH+]2CCC3(CC2)OCCc2ccccc23)CC[NH2+]1 ZINC000415109880 428525008 /nfs/dbraw/zinc/52/50/08/428525008.db2.gz SAHPYIGAHLMBST-DLBZAZTESA-N 2 0 314.473 2.939 20 0 DFADRP C[C@H](Cc1ccccc1Br)[NH2+]C[C@H]1CCC[NH2+]C1 ZINC000415124843 428528309 /nfs/dbraw/zinc/52/83/09/428528309.db2.gz RRDPOEUNSDDMTP-OLZOCXBDSA-N 2 0 311.267 2.969 20 0 DFADRP COc1ccc(C[NH+]2CCC([C@H]3C[C@H]([NH3+])CCO3)CC2)cc1F ZINC000415124676 428528400 /nfs/dbraw/zinc/52/84/00/428528400.db2.gz NAGMIUACZLRRRD-CRAIPNDOSA-N 2 0 322.424 2.553 20 0 DFADRP COc1ccc(C[NH+]2CCC([C@@H]3C[C@@H]([NH3+])CCO3)CC2)cc1C ZINC000415123554 428529447 /nfs/dbraw/zinc/52/94/47/428529447.db2.gz LFBPKFKRTDZZLM-HKUYNNGSSA-N 2 0 318.461 2.722 20 0 DFADRP COc1cc(C[NH+]2CCC([C@H]3C[C@H]([NH3+])CCO3)CC2)ccc1C ZINC000415127255 428530001 /nfs/dbraw/zinc/53/00/01/428530001.db2.gz QQMNJLYCBQTTRX-IEBWSBKVSA-N 2 0 318.461 2.722 20 0 DFADRP C[C@H](C[C@H]1CCCCC[NH2+]1)NC[C@H]1[NH2+]CCc2ccccc21 ZINC000414955489 428471679 /nfs/dbraw/zinc/47/16/79/428471679.db2.gz NDYYNXOJZGHSHH-SZVBFZGTSA-N 2 0 301.478 2.774 20 0 DFADRP C[C@H]1C[C@H]([NH2+]Cc2ccc(OCc3ccncc3)cc2)CC[NH2+]1 ZINC000414955081 428471748 /nfs/dbraw/zinc/47/17/48/428471748.db2.gz TZNPLTXJRYGCGL-MAUKXSAKSA-N 2 0 311.429 2.891 20 0 DFADRP CC[NH+]1CCN(c2ccc(N[C@@H]3CCC[NH2+]CC3)c(C)c2)CC1 ZINC000415127149 428530547 /nfs/dbraw/zinc/53/05/47/428530547.db2.gz VHNSYRDPSVGDRZ-QGZVFWFLSA-N 2 0 316.493 2.691 20 0 DFADRP COC[C@]1(C[NH2+][C@@H]2CCC[C@@H]2c2ccc(F)cc2)CCC[NH2+]1 ZINC000414956780 428472026 /nfs/dbraw/zinc/47/20/26/428472026.db2.gz PAWSXTYKOGRZQD-KZNAEPCWSA-N 2 0 306.425 2.820 20 0 DFADRP c1nn(Cc2ccccc2)cc1C[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000390411841 428473952 /nfs/dbraw/zinc/47/39/52/428473952.db2.gz FHBMHVHUKISCKV-VAMGGRTRSA-N 2 0 324.472 2.942 20 0 DFADRP [NH3+]C1CCC([NH2+]C[C@@H]2CCC[N@H+](Cc3ccccc3)C2)CC1 ZINC000390713752 428474341 /nfs/dbraw/zinc/47/43/41/428474341.db2.gz BLYCCROZWILKPL-VIQWUECVSA-N 3 0 301.478 2.758 20 0 DFADRP [NH3+]C1CCC([NH2+]C[C@H]2CCC[N@H+](Cc3ccccc3)C2)CC1 ZINC000390713751 428474421 /nfs/dbraw/zinc/47/44/21/428474421.db2.gz BLYCCROZWILKPL-LMDPOFIKSA-N 3 0 301.478 2.758 20 0 DFADRP COCC1(C[NH2+][C@H](C)CCc2cccc(F)c2)CC[NH2+]CC1 ZINC000414968319 428477819 /nfs/dbraw/zinc/47/78/19/428477819.db2.gz FDEKDAVQQZLIGO-OAHLLOKOSA-N 2 0 308.441 2.753 20 0 DFADRP COCC1(C[NH2+][C@H]2CCC[C@H]2c2ccccc2)CC[NH2+]CC1 ZINC000414977122 428477936 /nfs/dbraw/zinc/47/79/36/428477936.db2.gz QOFPDMVAGAOPKD-ROUUACIJSA-N 2 0 302.462 2.929 20 0 DFADRP c1csc(CCC[NH2+]C2CCN(c3cc[nH+]cc3)CC2)n1 ZINC000391186214 428478091 /nfs/dbraw/zinc/47/80/91/428478091.db2.gz NBDKEPDQPHWFHX-UHFFFAOYSA-N 2 0 302.447 2.729 20 0 DFADRP Fc1ccc(-n2nccc2C[NH2+]CCC[C@@H]2CCC[NH2+]2)cc1 ZINC000414969179 428478136 /nfs/dbraw/zinc/47/81/36/428478136.db2.gz SJZMKBWYGWBLMK-OAHLLOKOSA-N 2 0 302.397 2.633 20 0 DFADRP CC[C@@H]([NH2+]CCC1CC[NH+](CC)CC1)C1(C(=O)OC)CCC1 ZINC000353539386 428582891 /nfs/dbraw/zinc/58/28/91/428582891.db2.gz XDHDLYGBEHSZHC-MRXNPFEDSA-N 2 0 310.482 2.820 20 0 DFADRP CC[NH+]1CCN([C@H](C)C[NH2+][C@@H](c2ccc(F)cn2)C(C)C)CC1 ZINC000353544030 428586047 /nfs/dbraw/zinc/58/60/47/428586047.db2.gz HUJAOJMKZFSJIF-CRAIPNDOSA-N 2 0 322.472 2.533 20 0 DFADRP C[NH+](C)CCOC1CC[NH+](C[C@@H]2C[C@@H]2c2ccccc2)CC1 ZINC000353545395 428587257 /nfs/dbraw/zinc/58/72/57/428587257.db2.gz DDQSNOUARKHTKK-PKOBYXMFSA-N 2 0 302.462 2.833 20 0 DFADRP CN(CC[N@H+](C)C1CCCCC1)C(=O)c1ccc2c(c1)C[NH2+]C2 ZINC000347494687 428591702 /nfs/dbraw/zinc/59/17/02/428591702.db2.gz CFNQSDNSSIBDAG-UHFFFAOYSA-N 2 0 315.461 2.626 20 0 DFADRP [NH3+][C@@H]1CCO[C@@H](C2CC[NH+](Cc3cccc(F)c3F)CC2)C1 ZINC000415128938 428532892 /nfs/dbraw/zinc/53/28/92/428532892.db2.gz SWBPUYPGQJOVEI-GDBMZVCRSA-N 2 0 310.388 2.683 20 0 DFADRP C[C@@H]1CC[N@H+](Cc2c[nH]nc2-c2ccc(F)cc2)C[C@H]1C[NH3+] ZINC000415129314 428533073 /nfs/dbraw/zinc/53/30/73/428533073.db2.gz PEKSFAKZPRKCJT-TZMCWYRMSA-N 2 0 302.397 2.633 20 0 DFADRP CCCC[C@@H]([NH3+])C(=O)NCC1CC[NH+](Cc2ccccc2)CC1 ZINC000353433791 428534037 /nfs/dbraw/zinc/53/40/37/428534037.db2.gz ABTQZFYYYAKANL-GOSISDBHSA-N 2 0 317.477 2.532 20 0 DFADRP C[C@@H]1CC[C@@H](NC2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C[NH2+]1 ZINC000399063185 428534179 /nfs/dbraw/zinc/53/41/79/428534179.db2.gz ZPIJLMAAJAMMDS-RNINOARNSA-N 2 0 313.489 2.912 20 0 DFADRP C[C@@H]1CC[C@H]([NH2+]CC2(N)CC[NH+](Cc3ccccc3)CC2)C1 ZINC000415135785 428535766 /nfs/dbraw/zinc/53/57/66/428535766.db2.gz QPVBBCUFTFAGQR-AEFFLSMTSA-N 2 0 301.478 2.758 20 0 DFADRP Fc1cccc(Cl)c1C[N@@H+]1CC2(CC[NH2+]CC2)[C@@H]2COC[C@@H]21 ZINC000415138946 428535916 /nfs/dbraw/zinc/53/59/16/428535916.db2.gz WAGUTHGLHLSWPN-CJNGLKHVSA-N 2 0 324.827 2.680 20 0 DFADRP CC(C)[C@H]1[NH2+]CC[C@@H]1C(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000353437386 428536030 /nfs/dbraw/zinc/53/60/30/428536030.db2.gz CBHJWSDJLWMVFA-ZWKOTPCHSA-N 2 0 321.509 2.534 20 0 DFADRP c1cc(C2CC2)ccc1C[N@@H+]1CC2(CC[NH2+]CC2)[C@@H]2COC[C@@H]21 ZINC000415142014 428537663 /nfs/dbraw/zinc/53/76/63/428537663.db2.gz QJKNAIFRJZLATQ-MOPGFXCFSA-N 2 0 312.457 2.764 20 0 DFADRP COCCSCCC[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000373292750 428539771 /nfs/dbraw/zinc/53/97/71/428539771.db2.gz KQHVRGKWNSWMRF-INIZCTEOSA-N 2 0 300.512 2.564 20 0 DFADRP C[NH+](C)[C@H](CN[C@@H]1CC[N@H+](C)[C@H]2CCC[C@H]21)Cc1ccccc1 ZINC000353451533 428543728 /nfs/dbraw/zinc/54/37/28/428543728.db2.gz AGXSRLSDUHYKGL-HAGHYFMRSA-N 2 0 315.505 2.622 20 0 DFADRP CC[NH+](CC)[C@@H](CNC(=O)[C@@H](C1CC1)[NH+]1CCCC1)CC(C)C ZINC000353458769 428546188 /nfs/dbraw/zinc/54/61/88/428546188.db2.gz KKKYLXAKANQZGD-QZTJIDSGSA-N 2 0 323.525 2.734 20 0 DFADRP C[C@@H](N[C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1)[C@@H]1CCC[NH2+]1 ZINC000400758902 428548533 /nfs/dbraw/zinc/54/85/33/428548533.db2.gz XRYILYJTMLCWTA-ISARSNTHSA-N 2 0 301.478 2.627 20 0 DFADRP CN(C)[C@H](C[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@H]21)c1cccc(F)c1 ZINC000353460271 428548875 /nfs/dbraw/zinc/54/88/75/428548875.db2.gz KQDPKXVKBSSYCX-WJFTUGDTSA-N 2 0 319.468 2.891 20 0 DFADRP Brc1csc(C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)c1 ZINC000400999661 428551672 /nfs/dbraw/zinc/55/16/72/428551672.db2.gz GGUQHBCLKIDRLW-CKYFFXLPSA-N 2 0 315.280 2.988 20 0 DFADRP Brc1cccc(C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)c1 ZINC000401037784 428552162 /nfs/dbraw/zinc/55/21/62/428552162.db2.gz NRVPEPBMXPRCTH-GZBFAFLISA-N 2 0 309.251 2.927 20 0 DFADRP CC[NH+]1CCN([C@H](C)C[NH2+][C@@H]2C[C@H](C)c3ccccc32)CC1 ZINC000343523464 428553543 /nfs/dbraw/zinc/55/35/43/428553543.db2.gz GIGYNBIOCZCYOL-FRQCXROJSA-N 2 0 301.478 2.851 20 0 DFADRP CCC[N@H+](CC)C[C@H](C)NC1CC[NH+](Cc2ccccn2)CC1 ZINC000353487083 428559740 /nfs/dbraw/zinc/55/97/40/428559740.db2.gz ZXQOELPHBYFGRB-KRWDZBQOSA-N 2 0 318.509 2.756 20 0 DFADRP C[N@@H+]1CCCC[C@@H]1CC[NH+]1CCC(OC[C@@H]2CCCO2)CC1 ZINC000361330983 428560244 /nfs/dbraw/zinc/56/02/44/428560244.db2.gz LMUYKBUJIDIVDA-AEFFLSMTSA-N 2 0 310.482 2.521 20 0 DFADRP C[N@@H+]1CC[C@H]([NH2+]Cc2ccccc2-n2ccnc2)[C@@H]2CCC[C@H]21 ZINC000353494659 428565735 /nfs/dbraw/zinc/56/57/35/428565735.db2.gz DIIXSUGJCOKNNL-JENIJYKNSA-N 2 0 310.445 2.835 20 0 DFADRP CC(C)CC[C@H]([NH2+]C[C@@H](C)N1CC[NH+](C)CC1)c1ccoc1 ZINC000353512017 428570238 /nfs/dbraw/zinc/57/02/38/428570238.db2.gz CIIGQRYYDGSVAS-AEFFLSMTSA-N 2 0 307.482 2.982 20 0 DFADRP CC[C@@H]([NH2+]CCC[N@@H+]1CCC[C@@H](C(N)=O)C1)c1cccc(C)c1 ZINC000353522960 428574128 /nfs/dbraw/zinc/57/41/28/428574128.db2.gz SZAZQMUDYZOOFA-QZTJIDSGSA-N 2 0 317.477 2.623 20 0 DFADRP C[N@@H+]1CC[C@H]([NH2+][C@H](CCCO)c2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000353518517 428575324 /nfs/dbraw/zinc/57/53/24/428575324.db2.gz LFOQXWMPTDHURX-RDGPPVDQSA-N 2 0 302.462 2.963 20 0 DFADRP C[N@@H+]1CC[C@H]([NH2+][C@H](CCCO)c2ccccc2)[C@H]2CCC[C@@H]21 ZINC000353518518 428576099 /nfs/dbraw/zinc/57/60/99/428576099.db2.gz LFOQXWMPTDHURX-YRXWBPOGSA-N 2 0 302.462 2.963 20 0 DFADRP CC(C)NC(=O)[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[N@H+](C)[C@H]3CCC[C@H]32)C1 ZINC000353526551 428577567 /nfs/dbraw/zinc/57/75/67/428577567.db2.gz AZWQFNHLSJDISW-ICUGJSFKSA-N 2 0 321.509 2.532 20 0 DFADRP CCN1C[C@@H](C)[C@H]([NH2+]CC(C)(C)N2CCc3ccccc3C2)C1 ZINC000358022729 428577568 /nfs/dbraw/zinc/57/75/68/428577568.db2.gz XLNULBMTJQDNHT-VQIMIIECSA-N 2 0 315.505 2.753 20 0 DFADRP C[C@H]1CN(C)C[C@@H]1[NH2+]CC1(c2ccccc2Cl)CCOCC1 ZINC000358093048 428579318 /nfs/dbraw/zinc/57/93/18/428579318.db2.gz ZBKBRWPUGZVWEH-YOEHRIQHSA-N 2 0 322.880 2.928 20 0 DFADRP CC(C)[NH+]1CCC(N[C@@H](C)C[N@H+](C)Cc2ccccc2)CC1 ZINC000343996868 428601940 /nfs/dbraw/zinc/60/19/40/428601940.db2.gz UFLDLXWHJSJNHL-KRWDZBQOSA-N 2 0 303.494 2.969 20 0 DFADRP COc1cc2c(cc1OC)[C@H]([NH2+][C@@H]1CC[N@@H+]3CCC[C@H]3C1)CC2 ZINC000373564304 428606676 /nfs/dbraw/zinc/60/66/76/428606676.db2.gz XZFPVLIBLSPEES-HLLBOEOZSA-N 2 0 316.445 2.908 20 0 DFADRP C[N@@H+]1CC[C@H]([NH2+]C2CCN(c3nccs3)CC2)[C@@H]2CCC[C@@H]21 ZINC000353587546 428608971 /nfs/dbraw/zinc/60/89/71/428608971.db2.gz ZXAZXTNHGSQZQL-JYJNAYRXSA-N 2 0 320.506 2.574 20 0 DFADRP C[C@@H]1CCC[C@@H]([NH2+]Cc2ccncc2OCC[NH+](C)C)[C@H]1C ZINC000344042254 428618538 /nfs/dbraw/zinc/61/85/38/428618538.db2.gz JVVITUHFQGBCSA-HLLBOEOZSA-N 2 0 305.466 2.936 20 0 DFADRP C[N@@H+]1CC[C@H]([NH2+]Cc2ccnc(OC3CCC3)c2)[C@H]2CCC[C@@H]21 ZINC000353611816 428619055 /nfs/dbraw/zinc/61/90/55/428619055.db2.gz FRLWAEZYGCOJMD-SQNIBIBYSA-N 2 0 315.461 2.975 20 0 DFADRP CC(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)Nc1ccc(C[NH3+])cc1 ZINC000415956920 428634609 /nfs/dbraw/zinc/63/46/09/428634609.db2.gz LKSPDTHGWFBIAM-QGZVFWFLSA-N 2 0 318.465 2.777 20 0 DFADRP CC[N@@H+]1CC[C@@H](N(C)C(=O)Nc2ccccc2C[NH2+]C)C[C@H]1C ZINC000415903586 428623426 /nfs/dbraw/zinc/62/34/26/428623426.db2.gz AHSSXDRBKQBNJK-GDBMZVCRSA-N 2 0 318.465 2.743 20 0 DFADRP CC[N@H+](Cc1ccc(C(=O)NCC[NH+]2CCCC2)cc1)C(C)C ZINC000358681394 428624864 /nfs/dbraw/zinc/62/48/64/428624864.db2.gz HTQSJFZZQNWDOG-UHFFFAOYSA-N 2 0 317.477 2.743 20 0 DFADRP CCC1(CC)[C@H]([NH2+]C2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)C[C@@H]1OC ZINC000344301959 428628230 /nfs/dbraw/zinc/62/82/30/428628230.db2.gz RYGJEPNYUHAYPS-XDNAFOTISA-N 2 0 324.509 2.548 20 0 DFADRP C[NH2+]Cc1cccc(NC(=O)N(C)CC[NH+](C(C)C)C(C)C)c1 ZINC000415930191 428628357 /nfs/dbraw/zinc/62/83/57/428628357.db2.gz JSHMMLDVHVAITL-UHFFFAOYSA-N 2 0 320.481 2.989 20 0 DFADRP C[NH+](C)C[C@@H](NC(=O)Nc1ccc(C[NH3+])cc1)c1ccccc1 ZINC000415960364 428634832 /nfs/dbraw/zinc/63/48/32/428634832.db2.gz QCKDMZSVFVRFIN-QGZVFWFLSA-N 2 0 312.417 2.570 20 0 DFADRP CC[NH2+]Cc1cccc(NC(=O)N2CC[N@H+](CC)C[C@@H]2CC)c1 ZINC000415933903 428631916 /nfs/dbraw/zinc/63/19/16/428631916.db2.gz PCACUOJPWHBKOP-KRWDZBQOSA-N 2 0 318.465 2.744 20 0 DFADRP C[NH2+]Cc1cccc(NC(=O)NC[C@H]2CC[N@H+](CC(C)C)C2)c1 ZINC000415939557 428632584 /nfs/dbraw/zinc/63/25/84/428632584.db2.gz CJTSNSUJNBAHRY-MRXNPFEDSA-N 2 0 318.465 2.505 20 0 DFADRP CC[NH2+]Cc1ccccc1NC(=O)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000415943374 428633112 /nfs/dbraw/zinc/63/31/12/428633112.db2.gz LPJAUGBCOYAFGS-CVEARBPZSA-N 2 0 316.449 2.544 20 0 DFADRP CC[NH2+]Cc1ccccc1NC(=O)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000415943378 428633869 /nfs/dbraw/zinc/63/38/69/428633869.db2.gz LPJAUGBCOYAFGS-JKSUJKDBSA-N 2 0 316.449 2.544 20 0 DFADRP CC(C)(C)[NH+]1CCC(NC(=O)Nc2ccc(C[NH3+])cc2)CC1 ZINC000415970017 428638148 /nfs/dbraw/zinc/63/81/48/428638148.db2.gz FASKFHKIMUQQAT-UHFFFAOYSA-N 2 0 304.438 2.530 20 0 DFADRP C[NH2+]Cc1ccc(NC(=O)NC[C@@H](C)[N@@H+]2CCCC[C@H]2C)cc1 ZINC000415973916 428639230 /nfs/dbraw/zinc/63/92/30/428639230.db2.gz PREOOYDJMYJOES-HUUCEWRRSA-N 2 0 318.465 2.790 20 0 DFADRP C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)Nc1ccc(C[NH3+])cc1 ZINC000415979446 428639776 /nfs/dbraw/zinc/63/97/76/428639776.db2.gz QVESUOSFRFSLHE-RBSFLKMASA-N 2 0 318.465 2.633 20 0 DFADRP C[C@@H]1C[N@H+](C)CC[C@@H]1N[C@@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000358722943 428640629 /nfs/dbraw/zinc/64/06/29/428640629.db2.gz LKWZEJBIGSLATK-BWPNAZKDSA-N 2 0 315.505 2.969 20 0 DFADRP C[NH2+]Cc1ccc(NC(=O)N(C)CC[NH+](C(C)C)C(C)C)cc1 ZINC000415985127 428641474 /nfs/dbraw/zinc/64/14/74/428641474.db2.gz RLWBXANXEDBQEK-UHFFFAOYSA-N 2 0 320.481 2.989 20 0 DFADRP CC[NH2+]Cc1ccccc1NC(=O)N1CC[C@@H]([NH+](CC)CC)C1 ZINC000415953996 428635752 /nfs/dbraw/zinc/63/57/52/428635752.db2.gz LRZPMLMDYOABQP-MRXNPFEDSA-N 2 0 318.465 2.744 20 0 DFADRP CC[NH2+]Cc1ccccc1NC(=O)NCC[N@H+](C)C1CCCC1 ZINC000415960263 428636285 /nfs/dbraw/zinc/63/62/85/428636285.db2.gz UUGWZUPTPLMACL-UHFFFAOYSA-N 2 0 318.465 2.792 20 0 DFADRP CC[N@H+](Cc1ccc(C(=O)N2CCN(C)C[C@H]2C)cc1)C(C)C ZINC000344403713 428636444 /nfs/dbraw/zinc/63/64/44/428636444.db2.gz AOXKGDCEEPVPRG-MRXNPFEDSA-N 2 0 317.477 2.693 20 0 DFADRP C[C@H]([NH2+]CC1=CCCOC1)c1ccc(OCC[NH+](C)C)cc1 ZINC000348213932 428661030 /nfs/dbraw/zinc/66/10/30/428661030.db2.gz JOZOQICBTKOBCB-HNNXBMFYSA-N 2 0 304.434 2.624 20 0 DFADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1[NH2+][C@@H]1CCN(c2c(F)cccc2F)C1 ZINC000167481061 274339831 /nfs/dbraw/zinc/33/98/31/274339831.db2.gz CQXJHWSMZOMVMV-UMPJEAMMSA-N 2 0 323.431 2.862 20 0 DFADRP C[C@@H]1CCC[C@@H]([NH+]2CCC([NH2+][C@H]3CCc4c[nH]nc4C3)CC2)C1 ZINC000358774967 428669995 /nfs/dbraw/zinc/66/99/95/428669995.db2.gz OEAHSGFGNKTALJ-FHLIZLRMSA-N 2 0 316.493 2.900 20 0 DFADRP C[N@@H+]1CCCC[C@H]1CCN1CCC[C@H](C(=O)OC(C)(C)C)C1 ZINC000362252237 428674685 /nfs/dbraw/zinc/67/46/85/428674685.db2.gz WIAPZLNKQFAEHL-HOTGVXAUSA-N 2 0 310.482 2.915 20 0 DFADRP C[C@@H]1C[C@@H]([NH2+]C[C@H]2CCN(c3ccc(F)cc3)C2)CC[N@@H+]1C ZINC000246947559 274392465 /nfs/dbraw/zinc/39/24/65/274392465.db2.gz HXXGADDQAFIHTP-INMHGKMJSA-N 2 0 305.441 2.724 20 0 DFADRP FC(F)(F)[C@@H]1C[C@@H]([NH2+]CC2CC[NH+](C3CC3)CC2)CCO1 ZINC000348300344 428699357 /nfs/dbraw/zinc/69/93/57/428699357.db2.gz JHJSUFISIXCVRX-JSGCOSHPSA-N 2 0 306.372 2.560 20 0 DFADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]CCC2(F)CCC2)[C@H](C)C1 ZINC000348326286 428708255 /nfs/dbraw/zinc/70/82/55/428708255.db2.gz MMQFGGQWEZKCEJ-CVEARBPZSA-N 2 0 300.462 2.995 20 0 DFADRP COCCc1nc(C)c([C@H](C)N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)s1 ZINC000362343960 428712149 /nfs/dbraw/zinc/71/21/49/428712149.db2.gz XFCXPTFHPUJMNS-AEGPPILISA-N 2 0 323.506 2.918 20 0 DFADRP CN(C(=O)c1cccc(C[NH+](C)C)c1)C(C)(C)C[NH+]1CCCC1 ZINC000416333055 428719741 /nfs/dbraw/zinc/71/97/41/428719741.db2.gz JREZRGNXLDYNRE-UHFFFAOYSA-N 2 0 317.477 2.695 20 0 DFADRP OC[C@H](C[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccccc1Cl ZINC000348374807 428723033 /nfs/dbraw/zinc/72/30/33/428723033.db2.gz ACQFYUFBGSHKMM-KKUMJFAQSA-N 2 0 308.853 2.632 20 0 DFADRP Cc1nccn1CCCC[N@H+](CCCO)Cc1ccccc1 ZINC000348257774 428681223 /nfs/dbraw/zinc/68/12/23/428681223.db2.gz SOVRQHCOVIVJAX-UHFFFAOYSA-N 2 0 301.434 2.856 20 0 DFADRP CCN1CC[NH+](CCCC[NH2+]C[C@H]2C[C@H]2c2ccccc2)CC1 ZINC000348262030 428681455 /nfs/dbraw/zinc/68/14/55/428681455.db2.gz HZDZAOSDNFLQQH-UXHICEINSA-N 2 0 315.505 2.797 20 0 DFADRP CC[N@@H+]1CCC[C@H]1CN(C)C(=O)C[C@@H](c1ccccc1)[NH+](C)C ZINC000416171679 428681573 /nfs/dbraw/zinc/68/15/73/428681573.db2.gz RMRFXNSUNXOAKW-ROUUACIJSA-N 2 0 317.477 2.622 20 0 DFADRP CCC[N@H+](CC)CCNC(=O)C[C@@H](c1ccccc1)[NH+](C)C ZINC000416171582 428681691 /nfs/dbraw/zinc/68/16/91/428681691.db2.gz RBPJNSMPFLZXJP-KRWDZBQOSA-N 2 0 305.466 2.528 20 0 DFADRP CC(C)[NH+]1CCC(O)(C[NH2+]Cc2ccc([C@H]3C[C@@H]3C)o2)CC1 ZINC000344634771 428685001 /nfs/dbraw/zinc/68/50/01/428685001.db2.gz CCWXBUXKRLEFGR-HOCLYGCPSA-N 2 0 306.450 2.728 20 0 DFADRP C[NH+](C)Cc1cccc(C(=O)NC[C@@H]2[N@H+](C)CCCC2(C)C)c1 ZINC000344686347 428692946 /nfs/dbraw/zinc/69/29/46/428692946.db2.gz CAKIGFUBFDDHAJ-KRWDZBQOSA-N 2 0 317.477 2.598 20 0 DFADRP C1C[C@@]2(CO1)C[C@H]([NH2+]C1CC[NH+](C3CCCCC3)CC1)CCO2 ZINC000374525989 428693538 /nfs/dbraw/zinc/69/35/38/428693538.db2.gz DGCCLWYYPLLKDO-MJGOQNOKSA-N 2 0 322.493 2.711 20 0 DFADRP CCC[N@H+](CC)C[C@H](C)NC(=O)C[C@H](c1ccccc1)[NH+](C)C ZINC000416232674 428695636 /nfs/dbraw/zinc/69/56/36/428695636.db2.gz GLKOECDYALDUEP-FUHWJXTLSA-N 2 0 319.493 2.916 20 0 DFADRP CC(CC[NH+]1CCOCC1(C)C)CC[N@@H+]1CCOCC1(C)C ZINC000411184003 428753118 /nfs/dbraw/zinc/75/31/18/428753118.db2.gz JYBIZWXCRJRQOJ-UHFFFAOYSA-N 2 0 312.498 2.624 20 0 DFADRP c1ccc2c(c1)CCCN2CC[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000362467131 428759333 /nfs/dbraw/zinc/75/93/33/428759333.db2.gz QVTYHNMFFRNLJW-SFHVURJKSA-N 2 0 313.489 2.857 20 0 DFADRP CC[C@@H]1COCC[NH+]1CC[C@@H](C)CC[N@H+]1CCOC[C@@H]1CC ZINC000411277180 428769947 /nfs/dbraw/zinc/76/99/47/428769947.db2.gz VQRMBMFNEANQMG-NNZMDNLPSA-N 2 0 312.498 2.624 20 0 DFADRP C[C@H](CC[NH+]1[C@H](C)COC[C@H]1C)CC[N@H+]1[C@H](C)COC[C@@H]1C ZINC000411279761 428770659 /nfs/dbraw/zinc/77/06/59/428770659.db2.gz CPOQESGOWCNVNE-ZKXLYKBJSA-N 2 0 312.498 2.621 20 0 DFADRP COC(=O)c1cc(CN2CC[C@@H](C[NH+]3CCCCC3)C2)cs1 ZINC000411314835 428775438 /nfs/dbraw/zinc/77/54/38/428775438.db2.gz RTZNPFRDORRSIB-AWEZNQCLSA-N 2 0 322.474 2.843 20 0 DFADRP Cc1nn(C(C)(C)C)c(C)c1CN1CC[C@H]2CC[N@@H+](C)C[C@@H]21 ZINC000374905162 428779393 /nfs/dbraw/zinc/77/93/93/428779393.db2.gz WDFAHUNDPVMWRH-WBVHZDCISA-N 2 0 304.482 2.781 20 0 DFADRP CC(C)[C@H]([NH2+]C[C@H]1CN(C)CCN1C)c1cc2ccccc2o1 ZINC000345177703 428786493 /nfs/dbraw/zinc/78/64/93/428786493.db2.gz RZHPFQKICRGMLS-LPHOPBHVSA-N 2 0 315.461 2.965 20 0 DFADRP CCOC[C@H]1CCC[C@H]1[NH2+]Cc1ccc(OCC[NH+](C)C)cc1 ZINC000353941251 428787476 /nfs/dbraw/zinc/78/74/76/428787476.db2.gz FTNNBRLSJNTRGQ-IEBWSBKVSA-N 2 0 320.477 2.922 20 0 DFADRP C[C@@H]1C[C@H]1C[NH+]1CCN([C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000348561783 428788030 /nfs/dbraw/zinc/78/80/30/428788030.db2.gz YAOQXGCLVUDRDA-YZGWKJHDSA-N 2 0 313.489 2.535 20 0 DFADRP Cc1ccn2c(CN3CC[C@H](C[N@H+](C)CC4CC4)C3)cnc2c1 ZINC000354076982 428850980 /nfs/dbraw/zinc/85/09/80/428850980.db2.gz BDRXKYXVLOHVRF-QGZVFWFLSA-N 2 0 312.461 2.806 20 0 DFADRP CC[C@@H]1C[N@H+](Cc2cccc(C[NH+]3CCCCC3)c2)C[C@H]1O ZINC000411424757 428797746 /nfs/dbraw/zinc/79/77/46/428797746.db2.gz NQEVYSYXPWYKJI-RTBURBONSA-N 2 0 302.462 2.875 20 0 DFADRP CC[NH+]1CCC(NC(=O)C[NH2+][C@@H](C)c2ccc(C)cc2C)CC1 ZINC000411454894 428801088 /nfs/dbraw/zinc/80/10/88/428801088.db2.gz ZNUHQOHJMYFHHO-INIZCTEOSA-N 2 0 317.477 2.555 20 0 DFADRP CC[NH+]1CCC(NC(=O)C[NH2+][C@@H]2C[C@H](C)CC[C@H]2C(C)C)CC1 ZINC000411484316 428805755 /nfs/dbraw/zinc/80/57/55/428805755.db2.gz DTCBQAXUQCAOJV-BPQIPLTHSA-N 2 0 323.525 2.637 20 0 DFADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NCC(C)(C)[NH+](C)C ZINC000362806357 428806821 /nfs/dbraw/zinc/80/68/21/428806821.db2.gz NHHUAUPTOYIPCI-AEFFLSMTSA-N 2 0 303.494 2.827 20 0 DFADRP CC[C@@H]([NH2+]CC(=O)NC1CC[NH+](C(C)C)CC1)c1cccs1 ZINC000411514543 428807432 /nfs/dbraw/zinc/80/74/32/428807432.db2.gz RZQNMNLXSXRINZ-OAHLLOKOSA-N 2 0 323.506 2.778 20 0 DFADRP C[C@H](C[S@](C)=O)[N@H+](C)Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000411510697 428808737 /nfs/dbraw/zinc/80/87/37/428808737.db2.gz GYSNMSQBHIFNFW-ZHRRBRCNSA-N 2 0 322.518 2.871 20 0 DFADRP Cc1nnc([C@H](C)N[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)[nH]1 ZINC000411554722 428817484 /nfs/dbraw/zinc/81/74/84/428817484.db2.gz UKHZEEGTHRBDEO-KEYYUXOJSA-N 2 0 313.449 2.674 20 0 DFADRP CC[NH+](CC)[C@H](C(=O)N1CC[N@H+](C)CC[C@@H]1C)c1ccccc1 ZINC000354010710 428819409 /nfs/dbraw/zinc/81/94/09/428819409.db2.gz YAPLNFIWGBTRAU-WMZOPIPTSA-N 2 0 317.477 2.622 20 0 DFADRP CC[N@@H+]1CC[C@H](CN[C@@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC000359117263 428825451 /nfs/dbraw/zinc/82/54/51/428825451.db2.gz SFRMQAJNIVDHAN-DFQSSKMNSA-N 2 0 315.505 2.971 20 0 DFADRP COCCC[N@H+](CCO)Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000411615670 428825672 /nfs/dbraw/zinc/82/56/72/428825672.db2.gz RUZJMEWVXDZHSX-UHFFFAOYSA-N 2 0 320.477 2.503 20 0 DFADRP Cc1cccc(C[NH+]2CCN(C3CC[NH+](C(C)C)CC3)CC2)c1 ZINC000354045110 428839687 /nfs/dbraw/zinc/83/96/87/428839687.db2.gz QAGJJJIRSUDVFK-UHFFFAOYSA-N 2 0 315.505 2.985 20 0 DFADRP C[NH+](C)CCOCC[NH2+]Cc1ccc(-c2c(F)cccc2F)o1 ZINC000354189212 428906751 /nfs/dbraw/zinc/90/67/51/428906751.db2.gz HDOQBPOAPAEVMH-UHFFFAOYSA-N 2 0 324.371 2.893 20 0 DFADRP COC1([C@H](C)[NH2+]C/C=C/C[NH2+][C@@H](C)C2(OC)CCC2)CCC1 ZINC000412025102 428909483 /nfs/dbraw/zinc/90/94/83/428909483.db2.gz PAWJYPFJCFJHCJ-DKLOGILVSA-N 2 0 310.482 2.637 20 0 DFADRP Cc1cc(C)c(NC(=O)C[N@H+](C)CCC2CC[NH2+]CC2)c(C)c1 ZINC000359196632 428861746 /nfs/dbraw/zinc/86/17/46/428861746.db2.gz UVYJWNNVAVJRDA-UHFFFAOYSA-N 2 0 317.477 2.872 20 0 DFADRP CC1(C)C[C@H]([NH2+]C[C@H]2CC[N@H+](CCc3ccccc3)C2)CO1 ZINC000417893144 428870405 /nfs/dbraw/zinc/87/04/05/428870405.db2.gz DVZLZNCQJVWEIS-MSOLQXFVSA-N 2 0 302.462 2.708 20 0 DFADRP C[N@H+](CCN1CCC[C@@H]1c1ncc[nH]1)Cc1ccc(F)cc1 ZINC000375389502 428870964 /nfs/dbraw/zinc/87/09/64/428870964.db2.gz GTQWZMZYNOADEF-MRXNPFEDSA-N 2 0 302.397 2.818 20 0 DFADRP C[N@H+](CCC1CC[NH2+]CC1)[C@H]1CCCN(c2ccccc2)C1 ZINC000359222957 428872596 /nfs/dbraw/zinc/87/25/96/428872596.db2.gz ZBFIPFMPRDAYMP-IBGZPJMESA-N 2 0 301.478 2.977 20 0 DFADRP Cc1ccc(F)c(CN(CCC[NH+](C)C)CCC[NH+](C)C)c1 ZINC000348924962 428878832 /nfs/dbraw/zinc/87/88/32/428878832.db2.gz XEAVZTKMBJVNKL-UHFFFAOYSA-N 2 0 309.473 2.840 20 0 DFADRP CCC[NH+]1CCC([NH2+][C@@H]2CCc3cnn(C(C)C)c3C2)CC1 ZINC000375455763 428889490 /nfs/dbraw/zinc/88/94/90/428889490.db2.gz FPKNJEXNXNIXTR-QGZVFWFLSA-N 2 0 304.482 2.785 20 0 DFADRP OC[C@]1(Cc2ccccc2)CCC[N@@H+]1CCC[NH+]1CCCC1 ZINC000375470847 428891210 /nfs/dbraw/zinc/89/12/10/428891210.db2.gz QRSNWZYKARHHTQ-LJQANCHMSA-N 2 0 302.462 2.542 20 0 DFADRP CN1CC[NH+](C[C@@H]2CCCN(c3cc[nH+]c4ccccc43)C2)CC1 ZINC000363406042 428911568 /nfs/dbraw/zinc/91/15/68/428911568.db2.gz KQIZKHKVESQGTH-KRWDZBQOSA-N 2 0 324.472 2.699 20 0 DFADRP C[N@@H+]1CCC[C@]2(CC[NH+](Cc3cc(-n4ccnc4)cs3)C2)C1 ZINC000354176759 428899093 /nfs/dbraw/zinc/89/90/93/428899093.db2.gz LTYHDROLAULHOI-KRWDZBQOSA-N 2 0 316.474 2.852 20 0 DFADRP C[N@@H+]1CCC[C@H](C[NH2+]Cc2ccnc(N)c2)[C@H]1c1ccccc1 ZINC000375493105 428900926 /nfs/dbraw/zinc/90/09/26/428900926.db2.gz GTJFZEGQCXDWBW-IEBWSBKVSA-N 2 0 310.445 2.837 20 0 DFADRP Cc1cc(C[NH2+]CCOCC[NH+](C)C)c(OC(F)F)cc1C ZINC000354186270 428905503 /nfs/dbraw/zinc/90/55/03/428905503.db2.gz HQFSISKBIXSIHK-UHFFFAOYSA-N 2 0 316.392 2.573 20 0 DFADRP CC(C)[C@H](C(=O)Nc1cccc2c1OCC[C@@H]2[NH+](C)C)[NH+](C)C ZINC000345501110 428912860 /nfs/dbraw/zinc/91/28/60/428912860.db2.gz FAZGSBGEHPYILK-JKSUJKDBSA-N 2 0 319.449 2.597 20 0 DFADRP COc1cccc(CNCc2ccc(-n3ccnc3)nc2)c1F ZINC000375592421 428918349 /nfs/dbraw/zinc/91/83/49/428918349.db2.gz SIDGYCJHZPKETR-UHFFFAOYSA-N 2 0 312.348 2.705 20 0 DFADRP C[NH+](C)CCOCC[NH2+]Cc1cccc(OC2CCCC2)c1 ZINC000354208713 428918427 /nfs/dbraw/zinc/91/84/27/428918427.db2.gz WMXMSVSBWPUWTQ-UHFFFAOYSA-N 2 0 306.450 2.676 20 0 DFADRP Cc1nn(C)c(Cl)c1C[N@@H+]1CC[C@@H](C2CC[NH+](C)CC2)C1 ZINC000363459775 428919719 /nfs/dbraw/zinc/91/97/19/428919719.db2.gz RNRZKOALYZMGJR-CQSZACIVSA-N 2 0 310.873 2.546 20 0 DFADRP Cn1ccnc1[C@@H]1CCN(Cc2ccc(Br)cn2)C1 ZINC000349144692 428930546 /nfs/dbraw/zinc/93/05/46/428930546.db2.gz CUOTYDPMCVFALM-LLVKDONJSA-N 2 0 321.222 2.567 20 0 DFADRP CCOC(=O)c1coc(C[N@@H+]2CC[C@@H](C3CC[NH+](C)CC3)C2)c1 ZINC000349195593 428937070 /nfs/dbraw/zinc/93/70/70/428937070.db2.gz SUDVMZUIJJZLSO-OAHLLOKOSA-N 2 0 320.433 2.620 20 0 DFADRP COC(=O)[C@@H](C)C[N@@H+]1CCC[C@H]([NH+](C)Cc2ccccc2)CC1 ZINC000375673341 428938652 /nfs/dbraw/zinc/93/86/52/428938652.db2.gz FPODCWWEHKMPFV-WMZOPIPTSA-N 2 0 318.461 2.782 20 0 DFADRP C[N@@H+]1CC[C@H]([NH2+]Cc2ccnc(OC(F)F)c2)[C@@H]2CCC[C@H]21 ZINC000375788564 428971860 /nfs/dbraw/zinc/97/18/60/428971860.db2.gz JAYQVJDCYSWUNS-MELADBBJSA-N 2 0 311.376 2.645 20 0 DFADRP CC(C)c1cc(NCc2ccc([C@H](C)[NH3+])cc2)nc(N(C)C)[nH+]1 ZINC000420212486 428948314 /nfs/dbraw/zinc/94/83/14/428948314.db2.gz PCWVRJDHBWDFLU-ZDUSSCGKSA-N 2 0 313.449 3.298 20 0 DFADRP Cc1cc([C@@H]([NH2+][C@H](C)CN2CC[NH+](C)CC2)C2CC2)ccc1F ZINC000359396988 428954146 /nfs/dbraw/zinc/95/41/46/428954146.db2.gz XKLYFOGQTDVKOY-BEFAXECRSA-N 2 0 319.468 2.811 20 0 DFADRP Nc1cc(C[N@@H+]2CCCC[C@@H]2[C@@H](C[NH3+])Cc2ccccc2)ccn1 ZINC000420314877 428956763 /nfs/dbraw/zinc/95/67/63/428956763.db2.gz RBMWCIZJXSZDAL-RTBURBONSA-N 2 0 324.472 2.836 20 0 DFADRP CCC1CCC([NH2+]C2C[C@H]3CC[C@@H](C2)N3CC(=O)N(C)C)CC1 ZINC000375741580 428958660 /nfs/dbraw/zinc/95/86/60/428958660.db2.gz FDHVMGXHUNKCSF-CSRJKQTDSA-N 2 0 321.509 2.628 20 0 DFADRP Cc1cnn(C)c1C[NH2+][C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000375752906 428960691 /nfs/dbraw/zinc/96/06/91/428960691.db2.gz HBJMWROPXOPLME-GBESFXJTSA-N 2 0 324.472 2.729 20 0 DFADRP CN(C[C@@H](O)c1cccc(Cl)c1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000375765433 428966031 /nfs/dbraw/zinc/96/60/31/428966031.db2.gz VTGCRJHMPGGQGC-FCLJQHQZSA-N 2 0 308.853 2.930 20 0 DFADRP c1cc2cc(C[NH2+]C[C@@H]3CN4CCCC[C@H]4CO3)ccc2o1 ZINC000375765435 428966704 /nfs/dbraw/zinc/96/67/04/428966704.db2.gz VTJXHVIGVTVOAW-DLBZAZTESA-N 2 0 300.402 2.776 20 0 DFADRP C[C@H]([NH2+]CCC1=CC[NH2+]CC1)c1cccc(OCC[NH+](C)C)c1 ZINC000423539883 428967251 /nfs/dbraw/zinc/96/72/51/428967251.db2.gz POBBHAGRFHJFHA-INIZCTEOSA-N 3 0 317.477 2.587 20 0 DFADRP Cc1ccc(CC[N@@H+]2CCN(C3CC[NH+](C)CC3)[C@H](C)C2)cc1 ZINC000363681211 428968614 /nfs/dbraw/zinc/96/86/14/428968614.db2.gz USHFLCGTBSHARH-GOSISDBHSA-N 2 0 315.505 2.638 20 0 DFADRP COc1ccc(C[C@@H](C)[NH2+][C@@H]2CCCC[NH2+]C2)c(C)c1OC ZINC000423545871 428968713 /nfs/dbraw/zinc/96/87/13/428968713.db2.gz DXCJSRHSUAPKHG-CZUORRHYSA-N 2 0 306.450 2.675 20 0 DFADRP COc1cc2c(cc1F)CC[C@@H]2[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000423551840 428970549 /nfs/dbraw/zinc/97/05/49/428970549.db2.gz UHWVOFNHNDXCBM-WBOJAVRRSA-N 2 0 304.409 2.799 20 0 DFADRP C[C@H]1CN(Cc2ccccc2)CC[C@H]1[NH2+]CCC1=CC[NH2+]CC1 ZINC000423549123 428970997 /nfs/dbraw/zinc/97/09/97/428970997.db2.gz HJPXQJXZVUXWQX-FXAWDEMLSA-N 2 0 313.489 2.796 20 0 DFADRP [NH3+]Cc1cc(C(=O)Nc2cccc(CC[NH+]3CCCC3)c2)co1 ZINC000423775512 429017518 /nfs/dbraw/zinc/01/75/18/429017518.db2.gz OYZZBMNXKUKTAH-UHFFFAOYSA-N 2 0 313.401 2.629 20 0 DFADRP Cc1cc(C[NH+](C)C)cc(NC(=O)[C@H](C[NH3+])c2ccccc2)c1 ZINC000423792839 429020897 /nfs/dbraw/zinc/02/08/97/429020897.db2.gz WEUXUNSITOEZAS-GOSISDBHSA-N 2 0 311.429 2.738 20 0 DFADRP CCC(CC)(C[NH3+])C(=O)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000423793108 429021915 /nfs/dbraw/zinc/02/19/15/429021915.db2.gz IGRFKUHEXYMCGH-UHFFFAOYSA-N 2 0 323.525 2.866 20 0 DFADRP CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H](C)[C@H]([NH3+])c1ccccc1 ZINC000423797558 429022389 /nfs/dbraw/zinc/02/23/89/429022389.db2.gz HXVLVSPADVOSPO-JQHSSLGASA-N 2 0 317.477 2.559 20 0 DFADRP Cc1ccc2c(c1)[C@@H]([NH2+]C1CCN(CC[NH+](C)C)CC1)[C@@H](C)C2 ZINC000180078187 274773848 /nfs/dbraw/zinc/77/38/48/274773848.db2.gz RXUSROOQZHDMNW-JXFKEZNVSA-N 2 0 315.505 2.844 20 0 DFADRP CC(C)OCCOC1CC[NH+](CC[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000451951922 429025363 /nfs/dbraw/zinc/02/53/63/429025363.db2.gz DWEBVDPUEWAFHV-KRWDZBQOSA-N 2 0 312.498 2.767 20 0 DFADRP [NH3+]CC1(C(=O)N2CCC(CCC[NH+]3CCCC3)CC2)CCCC1 ZINC000423805801 429026269 /nfs/dbraw/zinc/02/62/69/429026269.db2.gz ZWYLRHUTKJWZEW-UHFFFAOYSA-N 2 0 321.509 2.620 20 0 DFADRP C[NH+](C)[C@H](CC(=O)N[C@@H]1CCC[C@@H]([NH+](C)C)C1)c1ccccc1 ZINC000433360438 429027620 /nfs/dbraw/zinc/02/76/20/429027620.db2.gz FZHWRKWGMDLPJN-KZNAEPCWSA-N 2 0 317.477 2.668 20 0 DFADRP CC(C)C[C@@H]1CCC[C@@H]([NH2+]CCCN2CCC[C@@H]2C(N)=O)C1 ZINC000354333717 428972720 /nfs/dbraw/zinc/97/27/20/428972720.db2.gz JMGRISWERQNPJZ-GVDBMIGSSA-N 2 0 309.498 2.521 20 0 DFADRP C[C@H](NCC1([NH3+])CC[NH+](Cc2ccccc2)CC1)c1ccco1 ZINC000423574408 428974299 /nfs/dbraw/zinc/97/42/99/428974299.db2.gz PKOQMPZPVKIDSW-INIZCTEOSA-N 2 0 313.445 2.924 20 0 DFADRP C[C@@H]([NH2+]CC1CC[NH+](CCN(C)C)CC1)C1C(C)(C)C1(C)C ZINC000354335554 428974735 /nfs/dbraw/zinc/97/47/35/428974735.db2.gz SKBQNKVJBYYSLW-OAHLLOKOSA-N 2 0 309.542 2.920 20 0 DFADRP CC[NH+]1CCN(CC(C)(C)[NH2+]CCCc2ccc(C)cc2)CC1 ZINC000451987252 429033618 /nfs/dbraw/zinc/03/36/18/429033618.db2.gz OEHUOPLBGMFTBL-UHFFFAOYSA-N 2 0 317.521 2.933 20 0 DFADRP CC(C)[C@@](C)(CN)[NH2+]CCC(=O)N[C@H]1CCCc2ccccc21 ZINC000433492938 429033731 /nfs/dbraw/zinc/03/37/31/429033731.db2.gz HHKHKJAKARNSBQ-PKOBYXMFSA-N 2 0 317.477 2.533 20 0 DFADRP C[C@@H]1Cc2ccccc2[C@@H]1[NH2+][C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000363779703 428990455 /nfs/dbraw/zinc/99/04/55/428990455.db2.gz AYINQAGQQBVCJL-OXFYSEKESA-N 2 0 313.489 2.678 20 0 DFADRP Cc1cccc(N2CCC([NH2+][C@@H]3C[C@@H](C)[N@@H+](C)C[C@@H]3C)CC2)n1 ZINC000363791592 428994561 /nfs/dbraw/zinc/99/45/61/428994561.db2.gz TXPNALLYMJSDBD-YXJHDRRASA-N 3 0 316.493 2.677 20 0 DFADRP CC(C)CC[C@H]1CCC[C@@H]1NC(=O)CCC[NH+]1CCC([NH3+])CC1 ZINC000433134992 428999920 /nfs/dbraw/zinc/99/99/20/428999920.db2.gz ICCQGLJGOXDQQE-AEFFLSMTSA-N 2 0 323.525 2.911 20 0 DFADRP CC(C)Oc1ccccc1NC(=O)CCC[NH+]1CCC([NH3+])CC1 ZINC000433151447 429000940 /nfs/dbraw/zinc/00/09/40/429000940.db2.gz INZAYPATMITEDL-UHFFFAOYSA-N 2 0 319.449 2.616 20 0 DFADRP CCCOc1cccc(NC(=O)CCC[NH+]2CCC([NH3+])CC2)c1 ZINC000433151901 429001003 /nfs/dbraw/zinc/00/10/03/429001003.db2.gz JTUOWNUYGJAEIG-UHFFFAOYSA-N 2 0 319.449 2.617 20 0 DFADRP [NH3+]C1CC[NH+](CCCC(=O)N2CCC[C@H]2c2ccsc2)CC1 ZINC000433155399 429001433 /nfs/dbraw/zinc/00/14/33/429001433.db2.gz XSWNEEFICIRLAG-INIZCTEOSA-N 2 0 321.490 2.615 20 0 DFADRP C[C@@H](NC(=O)CCC[NH+]1CCC([NH3+])CC1)c1ccc(Cl)cc1 ZINC000433145946 429001912 /nfs/dbraw/zinc/00/19/12/429001912.db2.gz SIAQFZWCXZYVMU-CYBMUJFWSA-N 2 0 323.868 2.721 20 0 DFADRP Cc1ccc([C@H](C)NC(=O)CCC[NH+]2CCC([NH3+])CC2)c(C)c1 ZINC000433169927 429003980 /nfs/dbraw/zinc/00/39/80/429003980.db2.gz ZBJWJEQEGVPMNC-INIZCTEOSA-N 2 0 317.477 2.684 20 0 DFADRP C[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCCN(C(=O)[C@@H]2CCCC[C@@]2(C)[NH3+])C1 ZINC000423720559 429004315 /nfs/dbraw/zinc/00/43/15/429004315.db2.gz ANSAIECZPMANHX-OYNZLANYSA-N 2 0 321.509 2.758 20 0 DFADRP C[NH+](C)CC1CCC(NC(=O)[C@@H]([NH3+])CC2CCCCC2)CC1 ZINC000423752275 429009598 /nfs/dbraw/zinc/00/95/98/429009598.db2.gz VXYKFTYJHAACIJ-JCYILVPMSA-N 2 0 309.498 2.521 20 0 DFADRP CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)[C@@]1(C)CCCC[NH2+]1 ZINC000423749124 429009782 /nfs/dbraw/zinc/00/97/82/429009782.db2.gz VJKHDSNUOQRHRN-LJQANCHMSA-N 2 0 317.477 2.629 20 0 DFADRP C[C@H](CC(=O)N(C)CC[N@H+](C)C1CCCCC1)[C@H]1CCC[NH2+]C1 ZINC000423766966 429010803 /nfs/dbraw/zinc/01/08/03/429010803.db2.gz VVDJYUDUGOXTRM-SJORKVTESA-N 2 0 323.525 2.735 20 0 DFADRP CC(C)CN(C(=O)C[C@@H](C)[C@H]1CCC[NH2+]C1)C1CC[NH+](C)CC1 ZINC000423763913 429011833 /nfs/dbraw/zinc/01/18/33/429011833.db2.gz SCHFNRKHFQRMNC-SJORKVTESA-N 2 0 323.525 2.591 20 0 DFADRP CC[C@@H]1[NH2+]CC[C@H]1C(=O)Nc1cccc(CC[NH+]2CCCC2)c1 ZINC000423773429 429013016 /nfs/dbraw/zinc/01/30/16/429013016.db2.gz MOQYTCREVUNIPG-MSOLQXFVSA-N 2 0 315.461 2.652 20 0 DFADRP Cc1cc(C[N@H+]2CC[C@H](N3CC[NH+](C(C)C)CC3)C2)c(C)s1 ZINC000375906367 429013951 /nfs/dbraw/zinc/01/39/51/429013951.db2.gz OWXHQGBJIKWHHP-SFHVURJKSA-N 2 0 321.534 2.965 20 0 DFADRP C[C@H](CCCC[NH3+])[NH2+]C1CCC2(CC1)c1ccccc1NC2=O ZINC000423446761 429089225 /nfs/dbraw/zinc/08/92/25/429089225.db2.gz ZBRKPDSTZGHTME-TZGCNFNXSA-N 2 0 315.461 2.926 20 0 DFADRP C[C@@H]([NH3+])C1CCN(C(=O)CC[C@@H]([NH3+])CC2CCCCC2)CC1 ZINC000424077026 429089422 /nfs/dbraw/zinc/08/94/22/429089422.db2.gz MYKKGJJEERGQLU-RHSMWYFYSA-N 2 0 309.498 2.650 20 0 DFADRP CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)[C@H]([NH3+])CC1CCCCC1 ZINC000423453029 429090378 /nfs/dbraw/zinc/09/03/78/429090378.db2.gz ZXQGOIOHRXUNOD-DLBZAZTESA-N 2 0 309.498 2.617 20 0 DFADRP C[C@H]([NH2+]C[C@@H]1CCC[C@H]([NH3+])C1)c1cccc(OCC[NH+](C)C)c1 ZINC000423455599 429090604 /nfs/dbraw/zinc/09/06/04/429090604.db2.gz FPAKDPLPGZMNNK-JZXOWHBKSA-N 3 0 319.493 2.795 20 0 DFADRP C[C@@H]1C[C@@H](NC(=O)CC[C@@H]([NH3+])CC2CCCCC2)C[N@@H+]1C1CC1 ZINC000424138975 429097770 /nfs/dbraw/zinc/09/77/70/429097770.db2.gz CTWDVHAKBMWYCZ-DJIMGWMZSA-N 2 0 321.509 2.806 20 0 DFADRP C[C@H]([NH2+]CCC[C@H]1CCC[NH2+]1)c1ccc(C(=O)N(C)C)cc1 ZINC000423472416 429092089 /nfs/dbraw/zinc/09/20/89/429092089.db2.gz FWHSMTNUZWRKCS-YOEHRIQHSA-N 2 0 303.450 2.571 20 0 DFADRP COc1ccc([C@H](C)[NH2+]CCC[C@H]2CCC[NH2+]2)cc1NC(C)=O ZINC000423465940 429092463 /nfs/dbraw/zinc/09/24/63/429092463.db2.gz ADZJNEQKRFAUFT-BBRMVZONSA-N 2 0 319.449 2.836 20 0 DFADRP C[C@@H](CNC(=O)CC[C@H]([NH3+])CC1CCCCC1)C[NH+]1CCCC1 ZINC000424125913 429094024 /nfs/dbraw/zinc/09/40/24/429094024.db2.gz AXBOEEFKEZECOK-WMZOPIPTSA-N 2 0 323.525 2.912 20 0 DFADRP C[C@H]([NH2+]C[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1)c1cnn(C)c1 ZINC000423480854 429095127 /nfs/dbraw/zinc/09/51/27/429095127.db2.gz WDNSDTRQVMKUFD-DHSIGJKJSA-N 2 0 316.424 2.603 20 0 DFADRP C[C@H]([NH2+]C[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1)[C@@H]1CCCO1 ZINC000423476128 429095312 /nfs/dbraw/zinc/09/53/12/429095312.db2.gz QPYIJQZVOCOVAR-PLYYQAHHSA-N 2 0 306.425 2.676 20 0 DFADRP C[C@@H](NC[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1)c1ccnn1C ZINC000423483732 429096348 /nfs/dbraw/zinc/09/63/48/429096348.db2.gz ZBGQLUMEGLEXKT-UKPHBRMFSA-N 2 0 316.424 2.603 20 0 DFADRP COC1([C@H](C)[NH2+]CCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CCCC1 ZINC000421844933 429039063 /nfs/dbraw/zinc/03/90/63/429039063.db2.gz PCIKPIGVBQKPGS-BBWFWOEESA-N 2 0 312.498 2.813 20 0 DFADRP COC[C@@H]1CCCC[NH+]1C/C=C/C[N@H+]1CCCC[C@H]1COC ZINC000452043304 429042223 /nfs/dbraw/zinc/04/22/23/429042223.db2.gz VFDNMLLJHVKAOM-VUOWKATKSA-N 2 0 310.482 2.544 20 0 DFADRP CN1CC[C@H]([NH2+]CCC[C@@H]2CCC[NH2+]2)C[C@@H]1c1ccccc1 ZINC000423485873 429096596 /nfs/dbraw/zinc/09/65/96/429096596.db2.gz RZBWLGRFPVWTLJ-GBESFXJTSA-N 3 0 301.478 2.944 20 0 DFADRP C[C@H](NC[C@H]1C[NH2+]CCCO1)c1csc(-c2ccccc2)n1 ZINC000423490272 429096735 /nfs/dbraw/zinc/09/67/35/429096735.db2.gz HQEYYLXYBZFWRM-DZGCQCFKSA-N 2 0 317.458 2.839 20 0 DFADRP C[NH+](C)[C@H](CNC(=O)CC[C@H]([NH3+])CC1CCCCC1)C1CC1 ZINC000424136105 429096834 /nfs/dbraw/zinc/09/68/34/429096834.db2.gz QJKYIOJYUPEDOD-DLBZAZTESA-N 2 0 309.498 2.521 20 0 DFADRP C[C@H]([NH3+])[C@H](Cc1ccccc1)NCC[NH2+]C1CCCCCC1 ZINC000423283489 429055663 /nfs/dbraw/zinc/05/56/63/429055663.db2.gz FHZBJERTYKHWIL-LPHOPBHVSA-N 2 0 303.494 2.847 20 0 DFADRP C[C@H]([NH3+])c1ccc(C(=O)NCCC[NH+]2CCC(C)CC2)cc1 ZINC000423295422 429058004 /nfs/dbraw/zinc/05/80/04/429058004.db2.gz ADSBOHBVHMGYEO-HNNXBMFYSA-N 2 0 303.450 2.558 20 0 DFADRP C[C@H](C[NH3+])C[NH2+][C@@H](C)c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000423293504 429058382 /nfs/dbraw/zinc/05/83/82/429058382.db2.gz AALCNCVASDQYIK-KGLIPLIRSA-N 2 0 324.490 2.648 20 0 DFADRP CC(C)[C@H](C(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1)[C@H](C)[NH3+] ZINC000423299927 429060276 /nfs/dbraw/zinc/06/02/76/429060276.db2.gz CSVMGQOEMALCIP-DZKIICNBSA-N 2 0 323.506 2.621 20 0 DFADRP C[C@@H]([NH2+]C[C@@H](C)C[NH3+])c1ccc(I)cc1 ZINC000423303377 429060702 /nfs/dbraw/zinc/06/07/02/429060702.db2.gz WYVZRXWAIWSNEZ-VHSXEESVSA-N 2 0 318.202 2.537 20 0 DFADRP COc1cc([C@H](C)[NH2+]C[C@@]2(C)CCC[NH2+]C2)cc(OC)c1OC ZINC000423321594 429062234 /nfs/dbraw/zinc/06/22/34/429062234.db2.gz GMVFMCLFNXTIRV-UGSOOPFHSA-N 2 0 322.449 2.753 20 0 DFADRP C[C@H]([NH2+]CC1(C)CC[NH2+]CC1)c1ccc2c(c1)OCCCO2 ZINC000423327673 429064424 /nfs/dbraw/zinc/06/44/24/429064424.db2.gz LOQFXYULZTZRGK-AWEZNQCLSA-N 2 0 304.434 2.888 20 0 DFADRP C[C@@H]([NH3+])c1ccc(C(=O)NCCC[N@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000423326893 429064752 /nfs/dbraw/zinc/06/47/52/429064752.db2.gz KSZLEFUOVVPPGB-OWCLPIDISA-N 2 0 317.477 2.804 20 0 DFADRP CC[NH+](CC)[C@@H]1CCN(C(=O)C(C)(C)[C@@H]([NH3+])c2ccccc2)C1 ZINC000423335826 429067475 /nfs/dbraw/zinc/06/74/75/429067475.db2.gz XKGDGUFQMLXVRX-SJORKVTESA-N 2 0 317.477 2.655 20 0 DFADRP Cc1c([C@H](C)[NH2+]CCCC[NH3+])nnn1-c1ccc(Cl)cc1 ZINC000423337504 429068079 /nfs/dbraw/zinc/06/80/79/429068079.db2.gz RAPPQNKOMKIXOH-NSHDSACASA-N 2 0 307.829 2.619 20 0 DFADRP CCN(CC)C(=O)Nc1ccc([C@@H](C)[NH2+]C[C@H]2CC[NH2+]C2)cc1 ZINC000423341052 429068109 /nfs/dbraw/zinc/06/81/09/429068109.db2.gz MHWONBSFUZNBLS-CABCVRRESA-N 2 0 318.465 2.820 20 0 DFADRP CCOC(=O)c1oc2c(c1C)[C@@H]([NH2+]CC1=CC[NH2+]CC1)CCC2 ZINC000423338078 429068360 /nfs/dbraw/zinc/06/83/60/429068360.db2.gz ASBISUVZSYJFEE-AWEZNQCLSA-N 2 0 318.417 2.651 20 0 DFADRP C[C@@H]1C[C@H](NC[C@@]2(C)CCC[NH2+]C2)C[N@@H+]1Cc1ccccc1 ZINC000423343598 429069276 /nfs/dbraw/zinc/06/92/76/429069276.db2.gz XACXHDQBMOOVMV-NEWSRXKRSA-N 2 0 301.478 2.629 20 0 DFADRP C[C@@H]([NH2+]C[C@H]1CC[NH2+]C1)c1ccc(F)c(Br)c1 ZINC000423347020 429070080 /nfs/dbraw/zinc/07/00/80/429070080.db2.gz QMRHIBSWLJTIAO-ZJUUUORDSA-N 2 0 301.203 2.848 20 0 DFADRP CC1(C[NH2+]C2CCN(c3ccc(F)cc3F)CC2)CC[NH2+]CC1 ZINC000423345755 429070104 /nfs/dbraw/zinc/07/01/04/429070104.db2.gz YZRRJWCTYHHXKC-UHFFFAOYSA-N 2 0 323.431 2.913 20 0 DFADRP C[C@H](Cc1ccc(F)cc1Br)[NH2+]C[C@H]1CC[NH2+]C1 ZINC000423345964 429070690 /nfs/dbraw/zinc/07/06/90/429070690.db2.gz PHAZWQZSUBVJMT-MNOVXSKESA-N 2 0 315.230 2.718 20 0 DFADRP COc1cc(C)c(C[C@H](C)[NH2+]C[C@]2(C)CCC[NH2+]C2)cc1OC ZINC000423351919 429070707 /nfs/dbraw/zinc/07/07/07/429070707.db2.gz ZVAWSDZHUMTSGQ-HNAYVOBHSA-N 2 0 320.477 2.923 20 0 DFADRP C[NH+](C)CC1CCN(C(=O)C(C)(C)[C@@H]([NH3+])c2ccccc2)CC1 ZINC000423344313 429070737 /nfs/dbraw/zinc/07/07/37/429070737.db2.gz XPJOTECUDPDUGX-KRWDZBQOSA-N 2 0 317.477 2.513 20 0 DFADRP CC1(C)[C@@H]([NH2+]CC2=CC[NH2+]CC2)C[C@@H]1OCc1ccccc1 ZINC000423349023 429070781 /nfs/dbraw/zinc/07/07/81/429070781.db2.gz VRCPRLDIEQIOKT-ROUUACIJSA-N 2 0 300.446 2.880 20 0 DFADRP C[C@H](NCC[C@H]1CCC[NH2+]1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000423363853 429071451 /nfs/dbraw/zinc/07/14/51/429071451.db2.gz OCQMDXATZKWBIH-QXAKKESOSA-N 2 0 301.478 2.629 20 0 DFADRP C[C@@H](Cc1ccccc1)[NH+]1CCC(N[C@@H]2CC[NH2+]C[C@H]2C)CC1 ZINC000423363122 429071886 /nfs/dbraw/zinc/07/18/86/429071886.db2.gz BMLLCJYAZFISQJ-FUHIMQAGSA-N 2 0 315.505 2.670 20 0 DFADRP Brc1ccc2c(c1)[C@@H]([NH2+]CC1=CC[NH2+]CC1)CC2 ZINC000423356344 429071909 /nfs/dbraw/zinc/07/19/09/429071909.db2.gz QLYKTJDXDCCHAK-HNNXBMFYSA-N 2 0 307.235 2.946 20 0 DFADRP CC(C)[C@H](C(=O)N[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1)[C@@H](C)[NH3+] ZINC000423357495 429072869 /nfs/dbraw/zinc/07/28/69/429072869.db2.gz IEOKXZRUSDOPHO-AHCXZYCDSA-N 2 0 317.477 2.558 20 0 DFADRP C[C@@H]1[C@H]([NH2+][C@H]2CCC[C@@H]([NH3+])C2)CCCN1Cc1ccccc1 ZINC000423368538 429074065 /nfs/dbraw/zinc/07/40/65/429074065.db2.gz NIBWHGUEKWVCNU-OQIJWPOYSA-N 2 0 301.478 2.899 20 0 DFADRP CC(C)=CCC[C@H](C)[NH2+]C[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000423372886 429074539 /nfs/dbraw/zinc/07/45/39/429074539.db2.gz BMXNRERKVHLSAB-KBPBESRZSA-N 2 0 307.404 2.547 20 0 DFADRP C[C@H]([NH2+][C@@H]1CCC[C@@H]([NH3+])C1)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000423369490 429075358 /nfs/dbraw/zinc/07/53/58/429075358.db2.gz DWUOSZBURNWCNK-IACUBPJLSA-N 2 0 301.434 2.837 20 0 DFADRP CC[NH2+][C@H](C)CN[C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000423382995 429076030 /nfs/dbraw/zinc/07/60/30/429076030.db2.gz OZBGHTQZHNEJNQ-GSEOLPGOSA-N 2 0 315.505 2.875 20 0 DFADRP C[C@H]([NH2+]C[C@H](N1CC[NH2+]CC1)C(F)(F)F)[C@H]1CCCC[C@H]1C ZINC000423381461 429076361 /nfs/dbraw/zinc/07/63/61/429076361.db2.gz FPRBHYLULOTSTE-QPSCCSFWSA-N 2 0 321.431 2.627 20 0 DFADRP C[C@@H](Cc1ccccc1)[NH+]1CCC(N[C@H]2C[NH2+]CC[C@H]2C)CC1 ZINC000423375173 429076915 /nfs/dbraw/zinc/07/69/15/429076915.db2.gz XORHHDDMBHWCIN-UWVAXJGDSA-N 2 0 315.505 2.670 20 0 DFADRP C[C@@H]([NH3+])c1ccc(C(=O)NCC(C)(C)[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000423377443 429077104 /nfs/dbraw/zinc/07/71/04/429077104.db2.gz YSYSIEGUROAQBC-LSDHHAIUSA-N 2 0 317.477 2.947 20 0 DFADRP C[C@@H]1CN(Cc2ccccc2)C[C@@H]1[NH2+]Cc1ccc2c(c1)C[NH2+]C2 ZINC000423397454 429078796 /nfs/dbraw/zinc/07/87/96/429078796.db2.gz SWLHKFYYCHKMRS-IERDGZPVSA-N 2 0 321.468 2.900 20 0 DFADRP CC(C)[C@H]([NH2+]C[C@H]1C[NH2+]C[C@H]1O)c1ccc(C(F)(F)F)cc1 ZINC000423395799 429080098 /nfs/dbraw/zinc/08/00/98/429080098.db2.gz AVFPLFKUGVJRJW-YUELXQCFSA-N 2 0 316.367 2.572 20 0 DFADRP CC1(C)CCC[NH2+][C@@H]1C(=O)NCCCCC[NH+]1CCCCC1 ZINC000423404506 429081035 /nfs/dbraw/zinc/08/10/35/429081035.db2.gz IUEBBOUBHBPRGN-MRXNPFEDSA-N 2 0 309.498 2.537 20 0 DFADRP COCC1(C[NH2+][C@H]2CCCNc3ccccc32)CC[NH2+]CC1 ZINC000423408492 429081646 /nfs/dbraw/zinc/08/16/46/429081646.db2.gz OQQHXFRVJSDQFX-KRWDZBQOSA-N 2 0 303.450 2.539 20 0 DFADRP C[C@H]([NH2+][C@@H]1CCC[C@@H]([NH3+])C1)c1ccc(OCC[NH+](C)C)cc1 ZINC000423398139 429081909 /nfs/dbraw/zinc/08/19/09/429081909.db2.gz TZRQYYJQCOPHRN-USXIJHARSA-N 3 0 305.466 2.548 20 0 DFADRP CC(C)[C@@H]1CCCC[C@@H]1[NH2+]C[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000423398426 429082121 /nfs/dbraw/zinc/08/21/21/429082121.db2.gz VJSBLCCCBIORCZ-KKUMJFAQSA-N 2 0 321.431 2.627 20 0 DFADRP C[C@@H]1[NH2+]CCC[C@H]1N[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000423398739 429082343 /nfs/dbraw/zinc/08/23/43/429082343.db2.gz VJZJOCVVAYUGNQ-MVBLQPKNSA-N 2 0 313.489 2.912 20 0 DFADRP COCC1(C[NH2+][C@H]2CCCc3ccc(C)cc32)CC[NH2+]CC1 ZINC000423410744 429082875 /nfs/dbraw/zinc/08/28/75/429082875.db2.gz SQVCYBJFEJDGDH-SFHVURJKSA-N 2 0 302.462 2.978 20 0 DFADRP O[C@@H]1C[NH2+]C[C@@H]1C[NH2+][C@@H](c1ccc(Cl)cc1)C1CCCC1 ZINC000423410367 429083860 /nfs/dbraw/zinc/08/38/60/429083860.db2.gz ACLYKCLUUUECJF-DJIMGWMZSA-N 2 0 308.853 2.741 20 0 DFADRP C[C@H]([NH2+]C[C@H]1C[NH2+]C[C@@H]1O)c1ccc(-c2ccccc2F)s1 ZINC000423410215 429083922 /nfs/dbraw/zinc/08/39/22/429083922.db2.gz RMFRKZYCXZOFBW-ZOWXZIJZSA-N 2 0 320.433 2.785 20 0 DFADRP CC[N@@H+]1CC[C@H](N(C)C(=O)c2ccc([C@@H](C)[NH3+])cc2)[C@@H](C)C1 ZINC000423415738 429084561 /nfs/dbraw/zinc/08/45/61/429084561.db2.gz AZNHHNCKTIGDAS-VBQJREDUSA-N 2 0 303.450 2.509 20 0 DFADRP CC(C)[C@H](C(=O)NC1CC[NH+](C2CCCCC2)CC1)[C@@H](C)[NH3+] ZINC000423431969 429087595 /nfs/dbraw/zinc/08/75/95/429087595.db2.gz IZFZOVRXPKLBEZ-PBHICJAKSA-N 2 0 309.498 2.519 20 0 DFADRP CCC[N@H+](CC)CCNC(=O)C(C)(C)[C@@H]([NH3+])c1ccccc1 ZINC000423433184 429087890 /nfs/dbraw/zinc/08/78/90/429087890.db2.gz MZNJMTDPJIEIJF-INIZCTEOSA-N 2 0 305.466 2.561 20 0 DFADRP Cc1ccc([C@@H](CCn2cncn2)[NH2+][C@H](C)CCCC[NH3+])cc1 ZINC000423445191 429088454 /nfs/dbraw/zinc/08/84/54/429088454.db2.gz XQQCOSBFVYXUJL-SJLPKXTDSA-N 2 0 315.465 2.825 20 0 DFADRP C[C@H]([NH3+])[C@@H]1CCCN(C(=O)CC[C@@H]([NH3+])CC2CCCCC2)C1 ZINC000424076422 429088593 /nfs/dbraw/zinc/08/85/93/429088593.db2.gz LSUANITVFQNOKD-USXIJHARSA-N 2 0 309.498 2.650 20 0 DFADRP COc1cc2[nH+]ccc(N[C@H]3CC[N@H+](C)[C@@H](C)C3)c2cc1OC ZINC000413155895 429150545 /nfs/dbraw/zinc/15/05/45/429150545.db2.gz DEBISQVIXFQRIF-STQMWFEESA-N 2 0 315.417 2.569 20 0 DFADRP CCN(CC(=O)Nc1ccc(C)cc1C)[C@@H]1CCC[NH2+]CC1 ZINC000435613742 429152009 /nfs/dbraw/zinc/15/20/09/429152009.db2.gz KQHIXMTXTAJWHR-MRXNPFEDSA-N 2 0 303.450 2.706 20 0 DFADRP CC(C)n1cc(C[NH2+]C2CCC([NH+]3CCC(C)CC3)CC2)nn1 ZINC000376636425 429152334 /nfs/dbraw/zinc/15/23/34/429152334.db2.gz HSFCYNXRGKBLTH-UHFFFAOYSA-N 2 0 319.497 2.992 20 0 DFADRP CCN(CC(=O)NCCC1CCCCC1)[C@H]1CCC[NH2+]CC1 ZINC000435612927 429152878 /nfs/dbraw/zinc/15/28/78/429152878.db2.gz IBKHENFMPBWARA-KRWDZBQOSA-N 2 0 309.498 2.537 20 0 DFADRP CCN(CC(=O)Nc1ccc(C)c(F)c1)[C@H]1CCC[NH2+]CC1 ZINC000435613349 429153337 /nfs/dbraw/zinc/15/33/37/429153337.db2.gz JJTFGZKQIXUVFS-HNNXBMFYSA-N 2 0 307.413 2.537 20 0 DFADRP CN(CC(=O)Nc1cccc2ccccc21)[C@H]1CCC[NH2+]CC1 ZINC000435616118 429153642 /nfs/dbraw/zinc/15/36/42/429153642.db2.gz LFTSNNWGURKTTI-INIZCTEOSA-N 2 0 311.429 2.852 20 0 DFADRP CN(Cc1nn(-c2ccccc2)c2c1CCC2)[C@H]1CCC[NH2+]CC1 ZINC000435616477 429154015 /nfs/dbraw/zinc/15/40/15/429154015.db2.gz MEKLWYCNTSCSGP-INIZCTEOSA-N 2 0 324.472 2.935 20 0 DFADRP CC[N@H+](CCC(=O)Nc1cccc(F)c1)[C@H]1CCC[NH2+]CC1 ZINC000435626420 429154807 /nfs/dbraw/zinc/15/48/07/429154807.db2.gz OKERPFADDVFCRF-INIZCTEOSA-N 2 0 307.413 2.618 20 0 DFADRP CC[N@H+](CCC(=O)NCC1CCCCC1)[C@H]1CCC[NH2+]CC1 ZINC000435630206 429155708 /nfs/dbraw/zinc/15/57/08/429155708.db2.gz WJNISOWUPODLIR-KRWDZBQOSA-N 2 0 309.498 2.537 20 0 DFADRP [NH3+]C[C@@H]1CC[C@@H]([NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC000423493859 429098247 /nfs/dbraw/zinc/09/82/47/429098247.db2.gz CGQGNQZLJCDPNL-LTFPLMDUSA-N 3 0 313.489 2.899 20 0 DFADRP C[C@H]([NH2+]C[C@H]1C[NH2+]CCCO1)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000423493961 429099733 /nfs/dbraw/zinc/09/97/33/429099733.db2.gz RLMUTWHGUOZGFX-QNWHQSFQSA-N 2 0 314.882 2.862 20 0 DFADRP C[C@H]([NH2+]C1CCC(N2CC[NH2+]CC2)CC1)c1ccccc1F ZINC000423505813 429101283 /nfs/dbraw/zinc/10/12/83/429101283.db2.gz HYQBOVMDICSXSY-FHERZECASA-N 2 0 305.441 2.693 20 0 DFADRP C[C@H]1C[C@@H](N2C[C@@H](C)[C@](C)(C[NH3+])C2)C[N@@H+]1Cc1ccccc1 ZINC000423508262 429104062 /nfs/dbraw/zinc/10/40/62/429104062.db2.gz KOKBRWAMZHNHBN-UKBAYJJMSA-N 2 0 301.478 2.566 20 0 DFADRP C[C@H]([C@@H]1CC[N@H+](Cc2ccccc2)C1)N1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000423508253 429104169 /nfs/dbraw/zinc/10/41/69/429104169.db2.gz KNXMTTWNYULCMN-HNBVOPMISA-N 2 0 315.505 2.814 20 0 DFADRP C[C@@H]1CN([C@H]2CCC[N@H+](Cc3ccccc3)[C@@H]2C)C[C@@]1(C)C[NH3+] ZINC000423507374 429104495 /nfs/dbraw/zinc/10/44/95/429104495.db2.gz JSXLSWSVAQWXIT-IZBJGVDFSA-N 2 0 315.505 2.956 20 0 DFADRP COC(=O)CCC[C@@H]1CCC[C@H]([N@@H+]2C[C@@H](C)[C@](C)(C[NH3+])C2)C1 ZINC000423517344 429105798 /nfs/dbraw/zinc/10/57/98/429105798.db2.gz XZIUOFBEKGCUGO-MUQADHOPSA-N 2 0 310.482 2.805 20 0 DFADRP CCO[C@@H]1C[C@@H]([N@@H+]2C[C@@H](C)[C@](C)(C[NH3+])C2)[C@@H]1Oc1ccccc1 ZINC000423516424 429106295 /nfs/dbraw/zinc/10/62/95/429106295.db2.gz WVLCWBKHQCYFLT-RXABAKJHSA-N 2 0 318.461 2.528 20 0 DFADRP C[C@@H](c1cccc(N2CCCC2=O)c1)[N@@H+]1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000423518166 429106402 /nfs/dbraw/zinc/10/64/02/429106402.db2.gz YXBQOEUZRWJZLY-ZRGWGRIASA-N 2 0 315.461 2.791 20 0 DFADRP Cc1cc([C@@H](C)[NH2+]C2CCC(N3CC[NH2+]CC3)CC2)c(C)o1 ZINC000423519574 429106519 /nfs/dbraw/zinc/10/65/19/429106519.db2.gz QBIQCEAYWVQFOS-ODIFPOPNSA-N 2 0 305.466 2.763 20 0 DFADRP CCO[C@@H]1C[C@H]([N@@H+]2C[C@@H](C)[C@](C)(C[NH3+])C2)[C@H]1Oc1ccccc1 ZINC000423516423 429106995 /nfs/dbraw/zinc/10/69/95/429106995.db2.gz WVLCWBKHQCYFLT-RSRPTUBKSA-N 2 0 318.461 2.528 20 0 DFADRP C[C@@H]([NH2+]C1CCC([NH+]2CCNCC2)CC1)c1cc(F)cc(F)c1 ZINC000423521126 429108019 /nfs/dbraw/zinc/10/80/19/429108019.db2.gz SFBJKEOIBZWKLP-NLNFPOJYSA-N 2 0 323.431 2.832 20 0 DFADRP C[N@@H+]1CC[C@H](NCC2([NH3+])C3CC4CC(C3)CC2C4)[C@@H]2CCC[C@H]21 ZINC000423531774 429110263 /nfs/dbraw/zinc/11/02/63/429110263.db2.gz UFDLOLHKEGXRHI-IPRTVARMSA-N 2 0 317.521 2.602 20 0 DFADRP C[N@@H+]1CC[C@H](NCC2([NH3+])C3CC4CC(C3)CC2C4)[C@@H]2CCC[C@@H]21 ZINC000423531775 429110632 /nfs/dbraw/zinc/11/06/32/429110632.db2.gz UFDLOLHKEGXRHI-JNNMQEQSSA-N 2 0 317.521 2.602 20 0 DFADRP CCc1ccc(NC(=O)C[N@@H+]2CC3(C[C@@H]2C)CC[NH2+]CC3)cc1 ZINC000424285565 429119661 /nfs/dbraw/zinc/11/96/61/429119661.db2.gz FWBZYRPENDSOSX-HNNXBMFYSA-N 2 0 315.461 2.652 20 0 DFADRP CCc1cccc(NC(=O)C[N@@H+]2CC3(C[C@@H]2C)CC[NH2+]CC3)c1 ZINC000424283812 429119860 /nfs/dbraw/zinc/11/98/60/429119860.db2.gz CGLLYVPMJFHJJL-HNNXBMFYSA-N 2 0 315.461 2.652 20 0 DFADRP CN(CC[C@H]1CCCC[N@@H+]1C)C[C@@H](C[NH3+])c1ccc(F)cc1 ZINC000424278713 429120144 /nfs/dbraw/zinc/12/01/44/429120144.db2.gz DYOUDQSAFSPQPL-SJLPKXTDSA-N 2 0 307.457 2.674 20 0 DFADRP CC(=O)c1ccccc1OCC[N@H+]1CC2(C[C@H]1C)CC[NH2+]CC2 ZINC000424292977 429120997 /nfs/dbraw/zinc/12/09/97/429120997.db2.gz PBXMTCHCSYSZNJ-OAHLLOKOSA-N 2 0 316.445 2.732 20 0 DFADRP C[C@H]1CC2(C[N@@H+]1Cc1nc3cccnc3s1)CC[NH2+]CC2 ZINC000424295963 429121421 /nfs/dbraw/zinc/12/14/21/429121421.db2.gz RTQIIZIZKORHBH-LBPRGKRZSA-N 2 0 302.447 2.655 20 0 DFADRP Cc1ccc(C)c(NC(=O)C[N@H+]2CC3(C[C@H]2C)CC[NH2+]CC3)c1 ZINC000424302562 429122869 /nfs/dbraw/zinc/12/28/69/429122869.db2.gz ZXFMTWWORBCIMT-MRXNPFEDSA-N 2 0 315.461 2.706 20 0 DFADRP [NH3+][C@@H]1CCCC[C@H]1[NH2+]CCC(=O)Nc1ccc(Cl)cc1F ZINC000424329357 429128246 /nfs/dbraw/zinc/12/82/46/429128246.db2.gz GDLIKOXPMDUHKH-TZMCWYRMSA-N 2 0 313.804 2.667 20 0 DFADRP COC(=O)CC1CC([NH2+]C[C@H]2CCC[N@@H+]2C2CCCCC2)C1 ZINC000424351023 429130430 /nfs/dbraw/zinc/13/04/30/429130430.db2.gz OWFALUAYIZKYBF-VMBOVVBDSA-N 2 0 308.466 2.715 20 0 DFADRP C(=C\c1ccccc1)\C[NH+]1CCC(n2ncc3c2C[NH2+]C3)CC1 ZINC000424370375 429130976 /nfs/dbraw/zinc/13/09/76/429130976.db2.gz CFQNFQSMVJFDIY-DAXSKMNVSA-N 2 0 308.429 2.837 20 0 DFADRP C[C@@H]1CC2(C[N@@H+]1Cc1cnc3ccc(Cl)cn13)CC[NH2+]CC2 ZINC000424381174 429133286 /nfs/dbraw/zinc/13/32/86/429133286.db2.gz QPJJXRYQUWZEMH-CYBMUJFWSA-N 2 0 318.852 2.952 20 0 DFADRP CCC1(CC)[C@H]([NH2+]Cc2cc(C3CC[NH2+]CC3)no2)C[C@H]1OC ZINC000424379875 429133498 /nfs/dbraw/zinc/13/34/98/429133498.db2.gz PKFHDJJJWQCMFM-IAGOWNOFSA-N 2 0 321.465 2.825 20 0 DFADRP COc1ccc(-c2ccncc2)cc1C[N@@H+]1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000435373220 429133984 /nfs/dbraw/zinc/13/39/84/429133984.db2.gz CYMUDYBCVILANL-PBHICJAKSA-N 2 0 311.429 2.926 20 0 DFADRP CCOC(=O)CC(C)(C)CC[N@H+](C)C[C@@H]1CCc2nccn2C1 ZINC000376559025 429134899 /nfs/dbraw/zinc/13/48/99/429134899.db2.gz RUMASXFSECULJB-HNNXBMFYSA-N 2 0 321.465 2.747 20 0 DFADRP C[C@H]1C[C@@H](C[NH3+])C[N@@H+]1Cc1ccc(OCc2cccnc2)cc1 ZINC000435376564 429135974 /nfs/dbraw/zinc/13/59/74/429135974.db2.gz RQKKVSFMKWVPAM-YJBOKZPZSA-N 2 0 311.429 2.830 20 0 DFADRP C[C@@H](C[C@H](C)[NH2+]CCC[NH+]1CCCC1)NC(=O)OC(C)(C)C ZINC000494659624 429140190 /nfs/dbraw/zinc/14/01/90/429140190.db2.gz QMBMEMUFMLMURG-GJZGRUSLSA-N 2 0 313.486 2.754 20 0 DFADRP Cc1cc(C[NH3+])cc(NC(=O)NC[C@H](C)[N@@H+]2CCCC[C@H]2C)c1 ZINC000424433302 429141243 /nfs/dbraw/zinc/14/12/43/429141243.db2.gz DOIURGOXYKCPBZ-CABCVRRESA-N 2 0 318.465 2.838 20 0 DFADRP CC[N@@H+]1CC[C@H](N(C)C(=O)Nc2cc(C)cc(C[NH3+])c2)[C@@H](C)C1 ZINC000424442230 429142271 /nfs/dbraw/zinc/14/22/71/429142271.db2.gz XPHZLGKTRLSNNU-YOEHRIQHSA-N 2 0 318.465 2.648 20 0 DFADRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@@H]1C[C@]1(C)c1cccs1 ZINC000364055693 429164920 /nfs/dbraw/zinc/16/49/20/429164920.db2.gz JKSNESRBXFLJEX-VBQJREDUSA-N 2 0 320.506 2.624 20 0 DFADRP CC[C@H](C)NC(=O)[C@@H]1C[C@H](C)[N@H+](CCC[NH2+]C)[C@@H]2CCCC[C@@H]12 ZINC000435873147 429169301 /nfs/dbraw/zinc/16/93/01/429169301.db2.gz BKETXGNSQBKDHM-NNPSNHGLSA-N 2 0 323.525 2.780 20 0 DFADRP c1ccc2c(c1)CC[C@H]2[NH2+]C1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000132841399 275069980 /nfs/dbraw/zinc/06/99/80/275069980.db2.gz QEALUAQMCFVPBM-HNAYVOBHSA-N 2 0 300.446 2.764 20 0 DFADRP COc1ccsc1[C@H](C)[NH2+]C[C@@H]1CCC[C@H]1N1CCOCC1 ZINC000364304122 429177731 /nfs/dbraw/zinc/17/77/31/429177731.db2.gz BXVKKSWWGOZWOA-SOUVJXGZSA-N 2 0 324.490 2.908 20 0 DFADRP OC[C@H]1CCC[N@@H+]1CCCC[NH2+]Cc1cc2c(cccc2F)[nH]1 ZINC000436226874 429189523 /nfs/dbraw/zinc/18/95/23/429189523.db2.gz KBZPZBVLDQJWBH-OAHLLOKOSA-N 2 0 319.424 2.634 20 0 DFADRP COc1cc(Br)ccc1C[NH2+]C1CCC([NH3+])CC1 ZINC000437765435 429209202 /nfs/dbraw/zinc/20/92/02/429209202.db2.gz RNJUBMCMMXCUOU-UHFFFAOYSA-N 2 0 313.239 2.817 20 0 DFADRP CC[NH+](CC)CCNC(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C ZINC000455893064 429222032 /nfs/dbraw/zinc/22/20/32/429222032.db2.gz CHYXVRVGJNXNMX-KRWDZBQOSA-N 2 0 318.465 2.699 20 0 DFADRP CC(C)(C)OC(=O)NC(C)(C)C[NH2+]C[C@H]1CCCn2ccnc21 ZINC000495387058 429204592 /nfs/dbraw/zinc/20/45/92/429204592.db2.gz BUBHFPJDQGOBAN-CYBMUJFWSA-N 2 0 322.453 2.653 20 0 DFADRP COc1cccc2c1CC[C@H]([NH2+][C@H]1CC[N@@H+]3CCC[C@H]3C1)C2 ZINC000365251487 429286078 /nfs/dbraw/zinc/28/60/78/429286078.db2.gz XFUWTTLTOAOCMO-ULQDDVLXSA-N 2 0 300.446 2.769 20 0 DFADRP CC(C)N(C)C[C@H](C)[NH2+][C@H](C)C1CN(C(=O)OC(C)(C)C)C1 ZINC000495619276 429233872 /nfs/dbraw/zinc/23/38/72/429233872.db2.gz OOOSHHZTIDHIIB-UONOGXRCSA-N 2 0 313.486 2.560 20 0 DFADRP C[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]CC2([S@@](C)=O)CC2)CC1 ZINC000442819523 429237149 /nfs/dbraw/zinc/23/71/49/429237149.db2.gz IIVDBSVTORWQGA-IVZHQMGZSA-N 2 0 312.523 2.530 20 0 DFADRP CCOc1cc2[nH+]ccc(NC[C@@H](C)[NH+](C)C)c2cc1OCC ZINC000443426702 429249633 /nfs/dbraw/zinc/24/96/33/429249633.db2.gz KTQQHNILYZMPKC-CYBMUJFWSA-N 2 0 317.433 2.816 20 0 DFADRP CCCCc1noc([C@H](C)[N@H+](C)C[C@H]2CCc3nccn3C2)n1 ZINC000364705447 429254276 /nfs/dbraw/zinc/25/42/76/429254276.db2.gz IAVZEPUFCVKYNO-UONOGXRCSA-N 2 0 317.437 2.864 20 0 DFADRP CN(C)c1ncc(CN(C)CCOc2ccccc2Cl)n1C ZINC000425322198 429264727 /nfs/dbraw/zinc/26/47/27/429264727.db2.gz GZUFKGWDRGHZQF-UHFFFAOYSA-N 2 0 322.840 2.650 20 0 DFADRP Cn1nccc1[C@H]1CCC[C@@H]([NH2+]CCC[NH+]2CCCCC2)C1 ZINC000364830752 429265213 /nfs/dbraw/zinc/26/52/13/429265213.db2.gz QKXIAFGYYUTCOP-DLBZAZTESA-N 2 0 304.482 2.912 20 0 DFADRP Cc1c(F)cccc1NC(=O)CC[N@@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000444148061 429266370 /nfs/dbraw/zinc/26/63/70/429266370.db2.gz AKIBOOCLCWNPAN-HNNXBMFYSA-N 2 0 321.440 2.736 20 0 DFADRP CN(C)c1ncc(C[N@@H+]2CCC[C@H](CC(F)(F)F)C2)n1C ZINC000425367103 429278968 /nfs/dbraw/zinc/27/89/68/429278968.db2.gz HCEYMXLCIQAURR-LLVKDONJSA-N 2 0 304.360 2.651 20 0 DFADRP C[NH+]1CCN(c2ccc(C[NH2+][C@@H]3CCCC34CCC4)cn2)CC1 ZINC000449076945 429326163 /nfs/dbraw/zinc/32/61/63/429326163.db2.gz VDVRXVJMIIDMHH-QGZVFWFLSA-N 2 0 314.477 2.646 20 0 DFADRP C[NH2+][C@@H](CC(C)(C)C)C(=O)NCCCC[N@@H+]1CCCC[C@H]1C ZINC000449087865 429328428 /nfs/dbraw/zinc/32/84/28/429328428.db2.gz XFZHDOFUFAWOEY-CVEARBPZSA-N 2 0 311.514 2.781 20 0 DFADRP Cc1ccccc1[C@H]([NH3+])C(=O)NC[C@@]1([NH+](C)C)CCC[C@H](C)C1 ZINC000449096759 429330507 /nfs/dbraw/zinc/33/05/07/429330507.db2.gz AEVFFSXSNADVDI-UCLAIMLFSA-N 2 0 317.477 2.622 20 0 DFADRP CC[N@H+](C)Cc1cccc(CNC(=O)[C@H](CC(C)(C)C)[NH2+]C)c1 ZINC000449100721 429331411 /nfs/dbraw/zinc/33/14/11/429331411.db2.gz SGZRDSJMXDPFKF-KRWDZBQOSA-N 2 0 319.493 2.779 20 0 DFADRP C[C@@H]1CC[C@@H](C)[C@H]([NH2+]Cc2cccnc2N2CC[NH+](C)CC2)C1 ZINC000449103317 429332902 /nfs/dbraw/zinc/33/29/02/429332902.db2.gz AQDBPNJKEVZLJH-JFIYKMOQSA-N 2 0 316.493 2.748 20 0 DFADRP CC[C@@H]([NH2+]CCCN1CCN(c2cc[nH+]cc2)CC1)C1CCC1 ZINC000449109433 429333914 /nfs/dbraw/zinc/33/39/14/429333914.db2.gz WSDVLCBOXGUSQO-LJQANCHMSA-N 2 0 316.493 2.762 20 0 DFADRP COCCN1CCC[C@H]1C[NH2+]C1CCC(CSC)CC1 ZINC000449119003 429335793 /nfs/dbraw/zinc/33/57/93/429335793.db2.gz VRRNIOWUAWLRSC-GPANFISMSA-N 2 0 300.512 2.609 20 0 DFADRP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@@H](C)Cc1coc2ccccc12 ZINC000449126800 429337833 /nfs/dbraw/zinc/33/78/33/429337833.db2.gz VUUWKCLKKBKQNQ-JKSUJKDBSA-N 2 0 315.461 2.589 20 0 DFADRP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+][C@H]2CCCOC2)CC1 ZINC000449121459 429338904 /nfs/dbraw/zinc/33/89/04/429338904.db2.gz HURDSTYXXVIMNB-APWZRJJASA-N 2 0 302.462 2.851 20 0 DFADRP CC(C)CC[C@@H]1CC[C@@H]([NH2+]CCC[N@@H+]2CCC[C@@H](C(N)=O)C2)C1 ZINC000449134706 429339770 /nfs/dbraw/zinc/33/97/70/429339770.db2.gz KXEDNDZUIGGTJG-KZNAEPCWSA-N 2 0 323.525 2.768 20 0 DFADRP CCC[NH2+][C@H](C)C(=O)NC[C@@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000449134206 429340357 /nfs/dbraw/zinc/34/03/57/429340357.db2.gz HNEYPLULCVCSIP-IJEWVQPXSA-N 2 0 323.506 2.635 20 0 DFADRP COc1ccc2oc(C[NH2+]C[C@@H]3CCn4ccnc4C3)cc2c1 ZINC000365557083 429341117 /nfs/dbraw/zinc/34/11/17/429341117.db2.gz PINSMSYFAIIAFE-CYBMUJFWSA-N 2 0 311.385 2.990 20 0 DFADRP CC[C@@H](C[NH+]1CCN(CC[NH+]2CCCC2)CC1)c1ccccc1 ZINC000506017419 429345149 /nfs/dbraw/zinc/34/51/49/429345149.db2.gz RMIUOZOJJQFJQP-IBGZPJMESA-N 2 0 315.505 2.894 20 0 DFADRP COC[C@@H](CCO)[NH2+]C1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC000449153535 429345399 /nfs/dbraw/zinc/34/53/99/429345399.db2.gz FAICKCOGFLTWLV-MRXNPFEDSA-N 2 0 314.514 2.653 20 0 DFADRP C[C@H](N[C@@H]1CCN(C(C)(C)C)C1=O)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000425431046 429296379 /nfs/dbraw/zinc/29/63/79/429296379.db2.gz GYVOCYXGHPLTEX-ZMSDIMECSA-N 2 0 321.509 2.628 20 0 DFADRP C[C@@H]1C[C@@H](NC(=O)C2(C[NH+](C)C)CCCCC2)c2nccn21 ZINC000456436148 429306528 /nfs/dbraw/zinc/30/65/28/429306528.db2.gz VWJUSKPKUNREPZ-ZIAGYGMSSA-N 2 0 304.438 2.517 20 0 DFADRP C[C@H](C[NH2+]Cc1ccc2c(c1)CCCC2)CN1CC[NH+](C)CC1 ZINC000490861216 429311012 /nfs/dbraw/zinc/31/10/12/429311012.db2.gz WEJOHPZLXISENF-QGZVFWFLSA-N 2 0 315.505 2.539 20 0 DFADRP CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC000457118314 429408378 /nfs/dbraw/zinc/40/83/78/429408378.db2.gz MPNWKDUJNCCITD-SJLPKXTDSA-N 2 0 321.509 2.582 20 0 DFADRP Cc1ccsc1CC[NH2+]Cc1cc(C2CC[NH2+]CC2)no1 ZINC000425896961 429351031 /nfs/dbraw/zinc/35/10/31/429351031.db2.gz RRWWYZJCCRLFQW-UHFFFAOYSA-N 2 0 305.447 2.844 20 0 DFADRP Cc1cc(C)c(CNC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)cn1 ZINC000456844666 429354764 /nfs/dbraw/zinc/35/47/64/429354764.db2.gz RNSPCSCRYXPQBP-KRWDZBQOSA-N 2 0 301.434 2.722 20 0 DFADRP C[N@@H+]1CC[C@H]([NH2+]CCCN2CCc3ccccc32)[C@H]2CCC[C@H]21 ZINC000513755178 429361696 /nfs/dbraw/zinc/36/16/96/429361696.db2.gz QKBFGXNVIWPZGV-WSTZPKSXSA-N 2 0 313.489 2.902 20 0 DFADRP CC[C@@H]([NH2+]Cc1ccccc1C[N@@H+]1CC[C@@H](O)C1)C1CCC1 ZINC000449236044 429362994 /nfs/dbraw/zinc/36/29/94/429362994.db2.gz WMAYLBRQAHZXBT-RTBURBONSA-N 2 0 302.462 2.922 20 0 DFADRP C[C@H](C[C@H](C)O)[NH2+]C1CC[NH+]([C@@H](C)Cc2ccccc2)CC1 ZINC000449233231 429364231 /nfs/dbraw/zinc/36/42/31/429364231.db2.gz KQDIOKFFZWSGNH-IKGGRYGDSA-N 2 0 304.478 2.831 20 0 DFADRP CC(C)[C@@H](C(=O)N[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1)[NH+](C)C ZINC000426218311 429374585 /nfs/dbraw/zinc/37/45/85/429374585.db2.gz WRSPUWDKGQDEFJ-NXHRZFHOSA-N 2 0 317.477 2.524 20 0 DFADRP CC[NH+]1CCN(c2ccccc2C[NH2+]CC2CC(F)(F)C2)CC1 ZINC000491581552 429376824 /nfs/dbraw/zinc/37/68/24/429376824.db2.gz NNYLAWOQEOPCBJ-UHFFFAOYSA-N 2 0 323.431 2.963 20 0 DFADRP CN(CC[N@H+](C)Cc1cccc2ccoc21)C1CC[NH+](C)CC1 ZINC000449326426 429388462 /nfs/dbraw/zinc/38/84/62/429388462.db2.gz VSBKXMRIGAJYIP-UHFFFAOYSA-N 2 0 315.461 2.891 20 0 DFADRP C[C@@H]1CCC[N@H+](CCCCNC(=O)[C@H]2CCCCCC[C@@H]2[NH3+])C1 ZINC000518970747 429442350 /nfs/dbraw/zinc/44/23/50/429442350.db2.gz NTNJTVPDMRDIDZ-SQNIBIBYSA-N 2 0 323.525 2.912 20 0 DFADRP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+]1CCSC[C@H]1C1CC1 ZINC000449528742 429446780 /nfs/dbraw/zinc/44/67/80/429446780.db2.gz RPCXUFOBDWRUOA-KRWDZBQOSA-N 2 0 314.458 2.903 20 0 DFADRP C[C@@H]([NH2+]CCC1(CO)CC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000449576861 429454208 /nfs/dbraw/zinc/45/42/08/429454208.db2.gz BUCSWNLLWXEAAB-AEFFLSMTSA-N 2 0 302.462 2.649 20 0 DFADRP C[C@H](Cc1cnn(C)c1)[NH2+]C1CC[NH+]([C@H]2CCCC[C@H]2C)CC1 ZINC000449582681 429456062 /nfs/dbraw/zinc/45/60/62/429456062.db2.gz GXHXVZUUOJSAOU-MDZRGWNJSA-N 2 0 318.509 2.984 20 0 DFADRP CC(C)[N@@H+]1CC[C@H](N(C)C(=O)CC[NH+](C)C2CCCCC2)C1 ZINC000519524719 429462124 /nfs/dbraw/zinc/46/21/24/429462124.db2.gz VGQHFTOSOFEBNF-KRWDZBQOSA-N 2 0 309.498 2.582 20 0 DFADRP CC[NH+](CC)C[C@H]1CCCC[C@H]1[NH2+]C1CCC(NC(C)=O)CC1 ZINC000427720277 429467853 /nfs/dbraw/zinc/46/78/53/429467853.db2.gz NFRNKXVRKIBUMO-LWSMDNFKSA-N 2 0 323.525 2.924 20 0 DFADRP CCCOc1cc(CN2CC[C@@H]3[NH2+]CC[C@@H]3C2)ccc1OC ZINC000427102062 429431177 /nfs/dbraw/zinc/43/11/77/429431177.db2.gz RIEAJUIMLXHUDZ-CVEARBPZSA-N 2 0 304.434 2.668 20 0 DFADRP Cc1ccc(C[N@@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)c(-c2cnn(C)c2)c1 ZINC000427122276 429432195 /nfs/dbraw/zinc/43/21/95/429432195.db2.gz PTDCDCURCPZNSW-APWZRJJASA-N 2 0 310.445 2.579 20 0 DFADRP COc1ccc(C[C@H](C)C[N@@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)cc1F ZINC000427119740 429432488 /nfs/dbraw/zinc/43/24/88/429432488.db2.gz MFWSPELGOHPDNN-JLJPHGGASA-N 2 0 306.425 2.697 20 0 DFADRP C[C@H]([NH2+]CCC1CC[NH+](C2CCN(C)CC2)CC1)C1CCC1 ZINC000366211653 429435033 /nfs/dbraw/zinc/43/50/33/429435033.db2.gz SWFJPNYZWIIORO-INIZCTEOSA-N 2 0 307.526 2.961 20 0 DFADRP COCCC[C@@H](C)[NH2+]C[C@H]1CCCN(Cc2cccnc2)C1 ZINC000366219723 429435900 /nfs/dbraw/zinc/43/59/00/429435900.db2.gz STUJJPOGHXTRHB-SJLPKXTDSA-N 2 0 305.466 2.698 20 0 DFADRP Cn1cc(CN2CC[C@@]3(CC[N@H+](C)C3)C2)c(-c2cccs2)n1 ZINC000366536502 429472924 /nfs/dbraw/zinc/47/29/24/429472924.db2.gz RPXYKBNJLNEDIM-QGZVFWFLSA-N 2 0 316.474 2.676 20 0 DFADRP CCC[N@H+](CC)C[C@@H](C)NC(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC000427871814 429475537 /nfs/dbraw/zinc/47/55/37/429475537.db2.gz IYUUABVJAIEPIT-SJORKVTESA-N 2 0 311.514 2.734 20 0 DFADRP O=C(NCCC[C@@H]1CCC[NH2+]1)c1ccc(Nc2cc[nH+]cc2)cc1 ZINC000449678548 429477084 /nfs/dbraw/zinc/47/70/84/429477084.db2.gz BIKNQTFUVNBTOX-INIZCTEOSA-N 2 0 324.428 2.509 20 0 DFADRP OC[C@@]1(C[NH2+]C2CC[NH+](CC3CC3)CC2)C[C@H]1c1ccccc1 ZINC000519733881 429482550 /nfs/dbraw/zinc/48/25/50/429482550.db2.gz MPDPZVURZVWQTF-PMACEKPBSA-N 2 0 314.473 2.617 20 0 DFADRP CC[N@H+](Cc1ccc(C(=O)N[C@@H]2CC[C@@H](C[NH3+])C2)cc1)C(C)C ZINC000449716844 429487999 /nfs/dbraw/zinc/48/79/99/429487999.db2.gz DBYLGKDBOKTOBH-SJLPKXTDSA-N 2 0 317.477 2.774 20 0 DFADRP CCC[N@H+](CC)Cc1ccc(C(=O)N[C@@H]2CC[C@@H](C[NH3+])C2)cc1 ZINC000449720011 429488453 /nfs/dbraw/zinc/48/84/53/429488453.db2.gz HZMBKYPNPHBQBU-SJLPKXTDSA-N 2 0 317.477 2.776 20 0 DFADRP C[N@H+](Cc1ccccc1)CC(C)(C)C[NH2+]C[C@H](O)C1CCC1 ZINC000449738978 429493141 /nfs/dbraw/zinc/49/31/41/429493141.db2.gz HOQRADQPWRVFJK-SFHVURJKSA-N 2 0 304.478 2.895 20 0 DFADRP C[C@H]([NH2+]C[C@@H](O)C1CCC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000449738428 429493925 /nfs/dbraw/zinc/49/39/25/429493925.db2.gz BSGCKLKVMPGWCN-ZYSHUDEJSA-N 2 0 302.462 2.648 20 0 DFADRP CC[NH+]1CCN(CC(C)(C)[NH2+]C[C@H](C)c2ccc(F)cc2)CC1 ZINC000449746643 429495866 /nfs/dbraw/zinc/49/58/66/429495866.db2.gz SONOLXGFHUXXFX-INIZCTEOSA-N 2 0 321.484 2.935 20 0 DFADRP CC[NH+]1CCN(CC(C)(C)[NH2+]Cc2cc3ccccc3o2)CC1 ZINC000449752290 429498485 /nfs/dbraw/zinc/49/84/85/429498485.db2.gz MPSKWVLCDBZRCG-UHFFFAOYSA-N 2 0 315.461 2.939 20 0 DFADRP CCC[N@H+](CC)Cc1ccc(C(=O)N[C@@H]2CC[NH2+]C2(C)C)cc1 ZINC000449754547 429500544 /nfs/dbraw/zinc/50/05/44/429500544.db2.gz RAHUNTLWPQLIRK-QGZVFWFLSA-N 2 0 317.477 2.789 20 0 DFADRP CC1(C)CCC[N@@H+]1CCNC1CC[NH+](Cc2ccncc2)CC1 ZINC000449777997 429507976 /nfs/dbraw/zinc/50/79/76/429507976.db2.gz AQBNMSJUDONDJP-UHFFFAOYSA-N 2 0 316.493 2.510 20 0 DFADRP CC(C)(C)[NH+]1CCC([NH2+]C2CCN(c3cc[nH+]cc3)CC2)CC1 ZINC000298513281 275814861 /nfs/dbraw/zinc/81/48/61/275814861.db2.gz RAXQBMZNLXFLRJ-UHFFFAOYSA-N 3 0 316.493 2.903 20 0 DFADRP C[C@@H]1C[C@H](NCCC[NH+]2CCC2)CC[N@@H+]1Cc1ccccc1 ZINC000520428176 429514301 /nfs/dbraw/zinc/51/43/01/429514301.db2.gz MYVCSRDKUCBEDB-IEBWSBKVSA-N 3 0 301.478 2.725 20 0 DFADRP O=C(N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)[C@@H]1CCCC[NH+]1C1CCCC1 ZINC000449810446 429515903 /nfs/dbraw/zinc/51/59/03/429515903.db2.gz LXVRZHUNBBCNHQ-NXHRZFHOSA-N 2 0 319.493 2.527 20 0 DFADRP Cc1cc(C[NH+](C)C)cc(NC(=O)[C@H]2C[C@H]3CCCC[N@@H+]3C2)c1 ZINC000366977100 429551409 /nfs/dbraw/zinc/55/14/09/429551409.db2.gz LJZXIVGZBNXVGD-FUHWJXTLSA-N 2 0 315.461 2.870 20 0 DFADRP FC1(F)CCCC[C@H]1C[NH+]1CCC(C[NH+]2CCOCC2)CC1 ZINC000450267500 429589218 /nfs/dbraw/zinc/58/92/18/429589218.db2.gz XIUMNXCEKLTEQH-INIZCTEOSA-N 2 0 316.436 2.856 20 0 DFADRP CC[NH+]1CCC(NC(=O)C[N@H+](CCC(C)C)C2CCCC2)CC1 ZINC000521816076 429564327 /nfs/dbraw/zinc/56/43/27/429564327.db2.gz JFJPDRZFLVTLMQ-UHFFFAOYSA-N 2 0 323.525 2.878 20 0 DFADRP C[NH+](C)CCOc1ccc(C[NH2+][C@H]2CCC23CCOCC3)cc1 ZINC000367049866 429565448 /nfs/dbraw/zinc/56/54/48/429565448.db2.gz JVEJYWGPZBWXKK-SFHVURJKSA-N 2 0 318.461 2.676 20 0 DFADRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H]2CCC23CCOCC3)[C@@H](C)C1 ZINC000367050961 429565752 /nfs/dbraw/zinc/56/57/52/429565752.db2.gz URNFIMQMWYGVFI-BZSNNMDCSA-N 2 0 324.509 2.672 20 0 DFADRP C[C@@H]([NH2+]Cc1ccc(OC2CCCC2)nc1)[C@@H]1CCC[NH2+]C1 ZINC000521993100 429572968 /nfs/dbraw/zinc/57/29/68/429572968.db2.gz CGTXHRQXMYJEOW-GDBMZVCRSA-N 2 0 303.450 2.881 20 0 DFADRP C[NH+](C)Cc1cc(C[NH2+][C@@H]2CCC23CCOCC3)ccc1F ZINC000367086863 429574945 /nfs/dbraw/zinc/57/49/45/429574945.db2.gz NIIASKZRXMVNLN-QGZVFWFLSA-N 2 0 306.425 2.936 20 0 DFADRP COCCN(C)C[C@H](O)C[NH2+]C(C)(C)CC1CCCCCC1 ZINC000522011205 429575960 /nfs/dbraw/zinc/57/59/60/429575960.db2.gz SWMTUHIBTYBXTD-QGZVFWFLSA-N 2 0 314.514 2.654 20 0 DFADRP C(CC[NH+]1CCC2(CCO2)CC1)CC[NH+]1CCC2(CCO2)CC1 ZINC000367087583 429576440 /nfs/dbraw/zinc/57/64/40/429576440.db2.gz YIJFVGGLSJCICS-UHFFFAOYSA-N 2 0 322.493 2.667 20 0 DFADRP CC[N@@H+]1CC[C@H](N(C)C[C@H](C)NC(=O)OC(C)(C)C)C[C@@H]1C ZINC000492606923 429576760 /nfs/dbraw/zinc/57/67/60/429576760.db2.gz FVKPSICPXJAZQO-KKUMJFAQSA-N 2 0 313.486 2.704 20 0 DFADRP C[C@H](c1ccccc1F)[N@@H+]1CCC[C@@H](CN2CC[NH+](C)CC2)C1 ZINC000367108143 429579528 /nfs/dbraw/zinc/57/95/28/429579528.db2.gz CIRZHWMVYMXUSN-SJORKVTESA-N 2 0 319.468 2.846 20 0 DFADRP CCC[N@H+](CC)C[C@H](C)NC(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC000428499785 429531810 /nfs/dbraw/zinc/53/18/10/429531810.db2.gz IYUUABVJAIEPIT-DLBZAZTESA-N 2 0 311.514 2.734 20 0 DFADRP C[NH+]1CCC2(CCC[N@H+](C[C@@H](O)c3c(F)cccc3F)C2)CC1 ZINC000366916943 429540484 /nfs/dbraw/zinc/54/04/84/429540484.db2.gz YFZBXGLNVSCYGE-MRXNPFEDSA-N 2 0 324.415 2.806 20 0 DFADRP C[C@H]1CCCC[N@@H+]1CCC1CC[NH+](Cc2cnccn2)CC1 ZINC000521204827 429541236 /nfs/dbraw/zinc/54/12/36/429541236.db2.gz XHXPGJCAFTXVCT-INIZCTEOSA-N 2 0 302.466 2.953 20 0 DFADRP CCc1noc([C@@H](C)N2CCC3(C[C@@H]3C[N@H+](C)C3CC3)CC2)n1 ZINC000367309501 429617379 /nfs/dbraw/zinc/61/73/79/429617379.db2.gz JBFOXYBQIQFJNE-ZIAGYGMSSA-N 2 0 318.465 2.889 20 0 DFADRP CC1=CCC[C@H](C)[C@@H]1C[NH2+][C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000373459573 275913124 /nfs/dbraw/zinc/91/31/24/275913124.db2.gz MORRMPVTZXFSCF-JENIJYKNSA-N 2 0 305.510 2.737 20 0 DFADRP O=C(C=Cc1c[nH]cn1)N1CCC[N@H+](CC2CCCCC2)CC1 ZINC000492822208 429623554 /nfs/dbraw/zinc/62/35/54/429623554.db2.gz HRKXTZIEXZEGTG-FPLPWBNLSA-N 2 0 316.449 2.538 20 0 DFADRP CCC[C@@H](C(=O)NC1CC[NH+](C2CCC(C)CC2)CC1)[NH+](C)C ZINC000367189545 429593695 /nfs/dbraw/zinc/59/36/95/429593695.db2.gz ZOBYVHLPTRPSQC-VJFUWPCTSA-N 2 0 323.525 2.876 20 0 DFADRP CCC[C@H](C(=O)NC1CC[NH+](C2CCC(C)CC2)CC1)[NH+](C)C ZINC000367189546 429593935 /nfs/dbraw/zinc/59/39/35/429593935.db2.gz ZOBYVHLPTRPSQC-VMWRSERWSA-N 2 0 323.525 2.876 20 0 DFADRP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)N(CC[NH+](C)C)Cc1ccsc1 ZINC000458195727 429597067 /nfs/dbraw/zinc/59/70/67/429597067.db2.gz CXXUMXFLXUCPMT-GASCZTMLSA-N 2 0 323.506 2.511 20 0 DFADRP CC(C)[N@H+](C)CC1CCN(C(=O)[C@@H](C)[NH+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000523115931 429600737 /nfs/dbraw/zinc/60/07/37/429600737.db2.gz GAPDUMYSBYNUCQ-IXDOHACOSA-N 2 0 323.525 2.827 20 0 DFADRP CC(C)[NH+]1CCC([N@H+](C)C[C@@H](O)[C@H](C)c2ccccc2)CC1 ZINC000450340145 429605760 /nfs/dbraw/zinc/60/57/60/429605760.db2.gz UPOBZVYIJRXJLB-VQIMIIECSA-N 2 0 304.478 2.956 20 0 DFADRP CCc1cc(N2CCC(OCC[NH+]3CCCC3)CC2)cc[nH+]1 ZINC000450361600 429608415 /nfs/dbraw/zinc/60/84/15/429608415.db2.gz FXHHPLNOROMBKM-UHFFFAOYSA-N 2 0 303.450 2.725 20 0 DFADRP CCc1ccc2[nH+]ccc(N3CC[NH+]([C@H](CC)CO)CC3)c2c1 ZINC000450362741 429611100 /nfs/dbraw/zinc/61/11/00/429611100.db2.gz SINLJHWLYMBOEJ-MRXNPFEDSA-N 2 0 313.445 2.690 20 0 DFADRP C[C@H]([NH3+])c1ccc(CNC(=O)[C@@H]2CCCCCC[C@H]2[NH3+])cc1 ZINC000429507015 429613195 /nfs/dbraw/zinc/61/31/95/429613195.db2.gz BUBRAEDPSXMOBJ-IAOVAPTHSA-N 2 0 303.450 2.620 20 0 DFADRP C[N@@H+]1CC[C@@]2(CCN(Cc3c[nH]nc3-c3ccsc3)C2)C1 ZINC000430137372 429656871 /nfs/dbraw/zinc/65/68/71/429656871.db2.gz VYMNRAUNQBMBEN-MRXNPFEDSA-N 2 0 302.447 2.666 20 0 DFADRP COc1ccc(CN2CC[C@]3(CC[N@H+](C)C3)C2)c(C)c1OC ZINC000430140242 429657491 /nfs/dbraw/zinc/65/74/91/429657491.db2.gz STTNSNICECLRGU-SFHVURJKSA-N 2 0 304.434 2.540 20 0 DFADRP C[C@@H]1C[N@H+](C[C@H]2CCC(F)(F)C2)CCN1C1CC[NH+](C)CC1 ZINC000450653495 429670385 /nfs/dbraw/zinc/67/03/85/429670385.db2.gz PTRHYHWTUJPNEM-CABCVRRESA-N 2 0 315.452 2.522 20 0 DFADRP C[C@@H]1C[N@H+](CCC2=CCCCC2)CCN1C1CC[NH+](C)CC1 ZINC000450651290 429670913 /nfs/dbraw/zinc/67/09/13/429670913.db2.gz LKDPPMGTRDSIDQ-QGZVFWFLSA-N 2 0 305.510 2.977 20 0 DFADRP CC[NH+](CC)Cc1cccc(CNC(=O)[C@]2(C)CCC[NH2+]C2)c1 ZINC000236924234 276110269 /nfs/dbraw/zinc/11/02/69/276110269.db2.gz CYIJIRIOEBRASL-LJQANCHMSA-N 2 0 317.477 2.534 20 0 DFADRP CC1(C)CC[C@H](C[NH+]2CCC(OCC[NH+]3CCCC3)CC2)O1 ZINC000184660604 276116519 /nfs/dbraw/zinc/11/65/19/276116519.db2.gz JKCVUYWNTFQENJ-QGZVFWFLSA-N 2 0 310.482 2.521 20 0 DFADRP CN1CC[NH+](CCCC[NH2+]Cc2ccc(Cl)cc2F)CC1 ZINC000525875010 429684025 /nfs/dbraw/zinc/68/40/25/429684025.db2.gz FLPOFNSETRXNCV-UHFFFAOYSA-N 2 0 313.848 2.596 20 0 DFADRP CCN1CC[NH+](CCCC[NH2+]C[C@H]2C(C)=CCC[C@H]2C)CC1 ZINC000133992249 276194624 /nfs/dbraw/zinc/19/46/24/276194624.db2.gz RQOJAEWRLQIWLE-MOPGFXCFSA-N 2 0 307.526 2.986 20 0 DFADRP CC[N@@H+]1CC[C@@H]([NH2+]CCc2cc(F)cc3c2OCOC3)[C@H](C)C1 ZINC000120682165 276216776 /nfs/dbraw/zinc/21/67/76/276216776.db2.gz OOBVYWZZHLLPNP-CXAGYDPISA-N 2 0 322.424 2.555 20 0 DFADRP CCOC(=O)C1(C)CCC([NH2+][C@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC000354513295 276273390 /nfs/dbraw/zinc/27/33/90/276273390.db2.gz PNYXLKREVNTQDE-BNQMIIOLSA-N 2 0 310.482 2.961 20 0 DFADRP CN(CC[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@@H]21)Cc1ccc(F)cc1 ZINC000367617737 429686289 /nfs/dbraw/zinc/68/62/89/429686289.db2.gz REFKDWHUZHEHQY-QRVBRYPASA-N 2 0 319.468 2.720 20 0 DFADRP CCC[C@H](C(=O)N[C@@H](C)[C@H](c1ccccc1)[NH+](C)C)[NH+](C)C ZINC000274596558 276282121 /nfs/dbraw/zinc/28/21/21/276282121.db2.gz LNQNKAZEOHOXMK-USXIJHARSA-N 2 0 305.466 2.524 20 0 DFADRP CCC[C@H]([NH2+][C@H]1CCN(C2CC[NH+](C)CC2)C1)c1ccccn1 ZINC000362660446 276287249 /nfs/dbraw/zinc/28/72/49/276287249.db2.gz YDSOUHOKVXXQEE-LPHOPBHVSA-N 2 0 316.493 2.681 20 0 DFADRP CC(C)[C@H]([NH3+])CC[N@H+](C)CCC(=O)Nc1ccc(Cl)cc1 ZINC000430591043 429699283 /nfs/dbraw/zinc/69/92/83/429699283.db2.gz JNONHGFIHWPAPJ-OAHLLOKOSA-N 2 0 311.857 2.974 20 0 DFADRP CC[NH+](CC)CCC[C@H](C)NC(=O)C[C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000236858190 276325888 /nfs/dbraw/zinc/32/58/88/276325888.db2.gz SQVRXUOGTGTLMK-IXDOHACOSA-N 2 0 311.514 2.639 20 0 DFADRP C[C@@](C[NH3+])([NH2+]CCOc1ccc(Br)cc1)C1CC1 ZINC000430565545 429692913 /nfs/dbraw/zinc/69/29/13/429692913.db2.gz AGVJLXQBUQRJPP-AWEZNQCLSA-N 2 0 313.239 2.545 20 0 DFADRP CC[NH+](CC)C[C@@H]1CCN([C@@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000271254542 276332117 /nfs/dbraw/zinc/33/21/17/276332117.db2.gz GGNGRCUBQFQSNX-VQTJNVASSA-N 2 0 315.505 2.925 20 0 DFADRP CC[NH+](CC)Cc1cccc(NC(=O)[C@H]2C[C@H](C)CC[NH2+]2)c1 ZINC000262518113 276335060 /nfs/dbraw/zinc/33/50/60/276335060.db2.gz NTLCVYFHLJJCRI-RHSMWYFYSA-N 2 0 303.450 2.855 20 0 DFADRP C[N@@H+](Cc1ccnn1-c1ccccc1)C[C@H]1CCn2ccnc2C1 ZINC000367659049 429694629 /nfs/dbraw/zinc/69/46/29/429694629.db2.gz RZTQKIGJZCKPBQ-INIZCTEOSA-N 2 0 321.428 2.763 20 0 DFADRP CCO[C@@H]1C[C@H]([NH2+]C2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)C1(C)C ZINC000305767013 276351560 /nfs/dbraw/zinc/35/15/60/276351560.db2.gz FOAWZOCYQJQXSA-XLAORIBOSA-N 2 0 324.509 2.548 20 0 DFADRP CC(=O)c1ccc(NC(=O)CC[N@@H+](C)CC[C@@H]([NH3+])C(C)C)cc1 ZINC000430586684 429695689 /nfs/dbraw/zinc/69/56/89/429695689.db2.gz WZXBYKNXFVFIAX-QGZVFWFLSA-N 2 0 319.449 2.523 20 0 DFADRP Cc1ccccc1-c1noc([C@@H](C)[NH+]2CCC(C[NH3+])CC2)n1 ZINC000430622410 429703025 /nfs/dbraw/zinc/70/30/25/429703025.db2.gz FVNVZPDDWVAKOR-CYBMUJFWSA-N 2 0 300.406 2.777 20 0 DFADRP CC[NH+]1CCC(N(CC(=O)N(C)[C@@H](C)CC(C)C)C2CC2)CC1 ZINC000367752842 429711947 /nfs/dbraw/zinc/71/19/47/429711947.db2.gz HZSDKEVJVNRMCX-INIZCTEOSA-N 2 0 323.525 2.828 20 0 DFADRP C[C@@H](CNC(=O)[C@@H](C)[C@@H]([NH3+])c1ccccc1)[N@@H+]1CCCC[C@@H]1C ZINC000430748240 429714068 /nfs/dbraw/zinc/71/40/68/429714068.db2.gz PNUOWNIULKBGAC-NBOOPKSLSA-N 2 0 317.477 2.702 20 0 DFADRP C[C@H]1CCCC[N@@H+]1Cc1ccc(NC(=O)[C@]2(C)CC[NH2+]C2)cc1 ZINC000430770089 429716491 /nfs/dbraw/zinc/71/64/91/429716491.db2.gz NLLQZVXSMJFDQH-HNAYVOBHSA-N 2 0 315.461 2.999 20 0 DFADRP CC[N@@H+]1CC[C@H](N(C)C(=O)[C@H](C)[C@H]([NH3+])c2ccccc2)C[C@H]1C ZINC000430797351 429717337 /nfs/dbraw/zinc/71/73/37/429717337.db2.gz OMTBLZVFQZNEEQ-LMSBXDPUSA-N 2 0 317.477 2.654 20 0 DFADRP Cc1cc(C)c(NC(=O)[C@@H](C)[NH+]2CCC([C@@H](C)[NH3+])CC2)c(C)c1 ZINC000430919646 429722410 /nfs/dbraw/zinc/72/24/10/429722410.db2.gz RGNYCLGKIZUSBZ-HZPDHXFCSA-N 2 0 317.477 2.998 20 0 DFADRP COc1ccc2nc(C[NH+]3CCC4(CC[NH2+]C4)CC3)sc2c1 ZINC000430934184 429725195 /nfs/dbraw/zinc/72/51/95/429725195.db2.gz LESZPEVWTZBKTQ-UHFFFAOYSA-N 2 0 317.458 2.880 20 0 DFADRP C[C@H](C(=O)Nc1cccc(Cl)c1)[NH+]1CCC([C@H](C)[NH3+])CC1 ZINC000430933916 429725655 /nfs/dbraw/zinc/72/56/55/429725655.db2.gz MWRAIOLATLCVDT-NWDGAFQWSA-N 2 0 309.841 2.726 20 0 DFADRP Cc1ccc(NC(=O)[C@@H](C)[NH+]2CCC([C@H](C)[NH3+])CC2)c(C)c1 ZINC000430948003 429727047 /nfs/dbraw/zinc/72/70/47/429727047.db2.gz GRYUPVXUROMGHG-LSDHHAIUSA-N 2 0 303.450 2.690 20 0 DFADRP Cc1ccncc1N1CCN(CC[N@@H+](C)Cc2ccccc2)CC1 ZINC000450910875 429727678 /nfs/dbraw/zinc/72/76/78/429727678.db2.gz YMCOJUUZPVEJNM-UHFFFAOYSA-N 2 0 324.472 2.644 20 0 DFADRP COC(=O)c1ccc(Cl)c(C[NH+]2CCC3(CC[NH2+]C3)CC2)c1 ZINC000430945932 429727997 /nfs/dbraw/zinc/72/79/97/429727997.db2.gz YQMREOMDQZMYRO-UHFFFAOYSA-N 2 0 322.836 2.702 20 0 DFADRP C[C@H]([NH3+])C1CC[NH+]([C@H]2CCN(c3cccc(Cl)c3)C2=O)CC1 ZINC000430959106 429729350 /nfs/dbraw/zinc/72/93/50/429729350.db2.gz WJDKFUNRFGOLIC-LRDDRELGSA-N 2 0 321.852 2.505 20 0 DFADRP Cc1ccc(Cl)cc1NC(=O)C[NH+]1CCC2(CC[NH2+]C2)CC1 ZINC000431011882 429733647 /nfs/dbraw/zinc/73/36/47/429733647.db2.gz CJFUXMBTXSOUOW-UHFFFAOYSA-N 2 0 321.852 2.662 20 0 DFADRP [NH3+]C1(C(=O)Nc2ccc(CC[NH+]3CCCCC3)cc2)CCCC1 ZINC000431057859 429738251 /nfs/dbraw/zinc/73/82/51/429738251.db2.gz KECAZCVQJXXNNF-UHFFFAOYSA-N 2 0 315.461 2.925 20 0 DFADRP C[N@H+](CCNC(=O)[C@@H]1CCCCCC[C@@H]1[NH3+])Cc1ccccc1 ZINC000431047079 429738308 /nfs/dbraw/zinc/73/83/08/429738308.db2.gz WRTMSRHKVFQABW-MSOLQXFVSA-N 2 0 317.477 2.532 20 0 DFADRP Cc1ccccc1[C@@H]1C[C@H](C)[N@@H+](Cc2nc(C(C)(C)[NH3+])no2)C1 ZINC000431078687 429739290 /nfs/dbraw/zinc/73/92/90/429739290.db2.gz GRTGZJQPYCIOGI-UONOGXRCSA-N 2 0 314.433 2.950 20 0 DFADRP Cc1ccccc1[C@@H]1C[C@@H](C)[N@@H+](Cc2nc(C(C)(C)[NH3+])no2)C1 ZINC000431078688 429740566 /nfs/dbraw/zinc/74/05/66/429740566.db2.gz GRTGZJQPYCIOGI-ZIAGYGMSSA-N 2 0 314.433 2.950 20 0 DFADRP COc1cccc2c1ncc(C)c2NCCN1CCO[C@@H](C)C1 ZINC000527288489 429740954 /nfs/dbraw/zinc/74/09/54/429740954.db2.gz RDGSQUYQGXSLBF-AWEZNQCLSA-N 2 0 315.417 2.684 20 0 DFADRP C[N@H+](CCN1CCCCC1)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000367906496 429740912 /nfs/dbraw/zinc/74/09/12/429740912.db2.gz RDVLLDLQVJDJSQ-UHFFFAOYSA-N 2 0 316.493 2.716 20 0 DFADRP Cc1nc2c(n1[C@H]1CC[N@H+](C[C@@H]3CCCOC3)C1)CCCC2 ZINC000432081749 429798706 /nfs/dbraw/zinc/79/87/06/429798706.db2.gz RUOOZVSBIAYYQX-HOTGVXAUSA-N 2 0 303.450 2.744 20 0 DFADRP CCn1ccnc1CN1CC[C@H](n2c(C)[nH+]c3c2CCCC3)C1 ZINC000432075314 429799272 /nfs/dbraw/zinc/79/92/72/429799272.db2.gz FAOCPPQTHBRUEZ-HNNXBMFYSA-N 2 0 313.449 2.734 20 0 DFADRP Cc1n[nH]cc1CN1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000367958553 429751992 /nfs/dbraw/zinc/75/19/92/429751992.db2.gz DPNPLVBLPOKZSY-HKUYNNGSSA-N 2 0 310.445 2.672 20 0 DFADRP C[C@@H]1C[N@@H+](CCCC[NH2+]C/C=C\c2ccncc2)C[C@H](C)O1 ZINC000486940920 429755485 /nfs/dbraw/zinc/75/54/85/429755485.db2.gz QIIJCPKITOJCJR-YKZUCCNHSA-N 2 0 303.450 2.574 20 0 DFADRP CC[NH+](CC)CCCC1CCN(C(=O)[C@@H]2C[N@H+](C)C[C@@H]2C)CC1 ZINC000487067488 429762106 /nfs/dbraw/zinc/76/21/06/429762106.db2.gz PFOYPCQKTUKDQI-FUHWJXTLSA-N 2 0 323.525 2.545 20 0 DFADRP C[NH+]1CCC(CC(=O)NCC[N@H+]2CC=C(C(C)(C)C)CC2)CC1 ZINC000487067875 429764317 /nfs/dbraw/zinc/76/43/17/429764317.db2.gz HPVKHSHRPYLSTQ-UHFFFAOYSA-N 2 0 321.509 2.513 20 0 DFADRP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@@H+]2[C@@H]1CCc2ccccc21 ZINC000368017759 429767303 /nfs/dbraw/zinc/76/73/03/429767303.db2.gz IDEBVVOVFCOFQH-NXWXRZEISA-N 2 0 300.446 2.857 20 0 DFADRP CC(C)C[C@H](C)C[NH2+]Cc1cccnc1N1CC[NH+](C)CC1 ZINC000368020031 429769042 /nfs/dbraw/zinc/76/90/42/429769042.db2.gz UINMBVWMIKXZDJ-INIZCTEOSA-N 2 0 304.482 2.605 20 0 DFADRP C[NH+](C)[C@@H](CNC(=O)CC[C@@H]1CCCC[N@@H+]1C)c1cccs1 ZINC000431572251 429771237 /nfs/dbraw/zinc/77/12/37/429771237.db2.gz SRYZOBFPMJPOQA-GJZGRUSLSA-N 2 0 323.506 2.732 20 0 DFADRP CC(C)[NH+]1CCC([NH2+]C[C@@]2(C)OCCc3sccc32)CC1 ZINC000368055325 429776214 /nfs/dbraw/zinc/77/62/14/429776214.db2.gz NMJOSBJTQYKPFE-QGZVFWFLSA-N 2 0 308.491 2.998 20 0 DFADRP O[C@@H]1CCC[C@H]1[NH+]1CCC([NH2+]Cc2ccc3cc[nH]c3c2)CC1 ZINC000527674944 429777244 /nfs/dbraw/zinc/77/72/44/429777244.db2.gz MZDJFHQQHMBZNB-RTBURBONSA-N 2 0 313.445 2.635 20 0 DFADRP C[C@H]1CCCC[N@@H+]1CCNC(=O)[C@H]1CCCC[NH+]1C1CCCC1 ZINC000431741291 429780897 /nfs/dbraw/zinc/78/08/97/429780897.db2.gz JKRNNHWOJWCUOO-FUHWJXTLSA-N 2 0 321.509 2.774 20 0 DFADRP C[C@@H]1CCCC[N@@H+]1CCNC(=O)[C@H]1CCCC[NH+]1C1CCCC1 ZINC000431741293 429781269 /nfs/dbraw/zinc/78/12/69/429781269.db2.gz JKRNNHWOJWCUOO-SJLPKXTDSA-N 2 0 321.509 2.774 20 0 DFADRP CC(C)C[C@@H](C[NH+](C)C)NC(=O)C[C@H](c1ccccc1)[NH+](C)C ZINC000431852199 429787532 /nfs/dbraw/zinc/78/75/32/429787532.db2.gz VHUQFBILYKHGBM-ZWKOTPCHSA-N 2 0 319.493 2.772 20 0 DFADRP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CN(C2CC2)C[C@@H]1C ZINC000493602782 429793953 /nfs/dbraw/zinc/79/39/53/429793953.db2.gz ORTDAWFPWSOPLK-PBWTXFEYSA-N 2 0 307.526 2.959 20 0 DFADRP C[NH+]1CCC([C@H]2CC[N@H+](Cc3ccc(-c4cc[nH]n4)o3)C2)CC1 ZINC000368131975 429794701 /nfs/dbraw/zinc/79/47/01/429794701.db2.gz CTBGFHATAGHTRT-HNNXBMFYSA-N 2 0 314.433 2.833 20 0 DFADRP Cc1c([C@H](C)NCCC[N@@H+]2CCCO[C@@H](C)C2)cnn1C(C)C ZINC000432431237 429824130 /nfs/dbraw/zinc/82/41/30/429824130.db2.gz VTMXWFWEQAKQMR-HOTGVXAUSA-N 2 0 322.497 2.924 20 0 DFADRP C[C@H]([NH2+]CC12CC(C1)CO2)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000527977406 429829582 /nfs/dbraw/zinc/82/95/82/429829582.db2.gz FKWPDRWLNQYBGY-BARLLCKDSA-N 2 0 300.446 2.666 20 0 DFADRP CN1CC[C@@H](C[N@H+](C)CCC2CCOCC2)[C@@H]1c1cccnc1 ZINC000432795834 429842003 /nfs/dbraw/zinc/84/20/03/429842003.db2.gz ZBYCQITZDQRHTH-OALUTQOASA-N 2 0 317.477 2.823 20 0 DFADRP C[C@H](CC(=O)N(C)c1ccccc1)[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000368445209 429850360 /nfs/dbraw/zinc/85/03/60/429850360.db2.gz ITNNDCRKWAOJEX-JFIYKMOQSA-N 2 0 315.461 2.644 20 0 DFADRP CC(C)c1nn(C)c(Cl)c1C[NH2+][C@H]1CCc2nc[nH]c2C1 ZINC000368216907 429809865 /nfs/dbraw/zinc/80/98/65/429809865.db2.gz BPCZXKVTPZLLHV-JTQLQIEISA-N 2 0 307.829 2.567 20 0 DFADRP C[C@H]([NH2+]Cc1ccc(C[NH+]2CCC(O)CC2)cc1)[C@H]1CC12CC2 ZINC000527859229 429811472 /nfs/dbraw/zinc/81/14/72/429811472.db2.gz OAUIBCOAPCAQPQ-HNAYVOBHSA-N 2 0 314.473 2.922 20 0 DFADRP C[C@@H]([NH2+]CC1(N2CCCCC2)CC[NH+](C)CC1)[C@H]1CC12CC2 ZINC000527872005 429813064 /nfs/dbraw/zinc/81/30/64/429813064.db2.gz WIZCBSAGBZOVEH-IAGOWNOFSA-N 2 0 305.510 2.715 20 0 DFADRP CCC[NH+]1CCN(C2CC[NH+](Cc3ccc(C)cc3)CC2)CC1 ZINC000369158113 429916957 /nfs/dbraw/zinc/91/69/57/429916957.db2.gz WBGVXGVGDQHTCH-UHFFFAOYSA-N 2 0 315.505 2.987 20 0 DFADRP Cc1nn(C(C)C)cc1CN1C[C@@H]2C[N@@H+]3CCCC[C@H]3[C@H]2C1 ZINC000369186993 429917772 /nfs/dbraw/zinc/91/77/72/429917772.db2.gz GCDOVHCYHSJNFJ-SQNIBIBYSA-N 2 0 302.466 2.689 20 0 DFADRP COC(=O)C(C)(C)CC[NH2+][C@@]1(C)CCN(Cc2ccccc2)C1 ZINC000573097457 429924814 /nfs/dbraw/zinc/92/48/14/429924814.db2.gz MSBJXDJFTRJPEL-IBGZPJMESA-N 2 0 318.461 2.830 20 0 DFADRP COc1ccc(CC[NH2+][C@@H]2CCC[C@H]([NH3+])C2)cc1OC(F)F ZINC000573458929 429955097 /nfs/dbraw/zinc/95/50/97/429955097.db2.gz KOYXYZACOYSQSX-QWHCGFSZSA-N 2 0 314.376 2.699 20 0 DFADRP CCc1noc(-c2ccc(CC[NH2+][C@H]3CCC[C@H]([NH3+])C3)cc2)n1 ZINC000573505695 429958228 /nfs/dbraw/zinc/95/82/28/429958228.db2.gz LEIXWBREKSFMHN-HOTGVXAUSA-N 2 0 314.433 2.701 20 0 DFADRP O[C@]1(C[NH2+]C2(C3CCC3)CC2)CCN(Cc2ccccc2)C1 ZINC000639728704 429961310 /nfs/dbraw/zinc/96/13/10/429961310.db2.gz DHDMRSJEKZQBOK-SFHVURJKSA-N 2 0 300.446 2.546 20 0 DFADRP C[NH+](C)CCNc1ccc(-c2cccc(C[N@H+](C)C3CC3)c2)cn1 ZINC000629708111 429962753 /nfs/dbraw/zinc/96/27/53/429962753.db2.gz AUNBOBSPNNWGGH-UHFFFAOYSA-N 2 0 324.472 3.316 20 0 DFADRP CCn1ccnc1CNc1ccc(Cl)c(C[N@H+](C)CCO)c1 ZINC000558113227 429963206 /nfs/dbraw/zinc/96/32/06/429963206.db2.gz MKQRHLRVHWLDEV-UHFFFAOYSA-N 2 0 322.840 2.593 20 0 DFADRP C[NH+](C)C[C@H](NC1CC[NH+](CC2CC2)CC1)c1ccc(F)cc1 ZINC000558256483 429966439 /nfs/dbraw/zinc/96/64/39/429966439.db2.gz IDDXXYAPOVKKQO-IBGZPJMESA-N 2 0 319.468 2.892 20 0 DFADRP CC(C)N(C(=O)C[N@@H+]1CCC2(C1)CC[NH+](C)CC2)C1CCCC1 ZINC000639758940 429972834 /nfs/dbraw/zinc/97/28/34/429972834.db2.gz YGTAUVULWMULJP-UHFFFAOYSA-N 2 0 321.509 2.584 20 0 DFADRP C[C@@H]([NH2+][C@H]1CC[NH2+][C@H](C)C1)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000573831624 429985549 /nfs/dbraw/zinc/98/55/49/429985549.db2.gz DMYCZIHPOSMDPT-BZPMIXESSA-N 2 0 301.434 2.707 20 0 DFADRP C[C@H](c1ccc(F)cc1)N1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000369360925 429929625 /nfs/dbraw/zinc/92/96/25/429929625.db2.gz ZGZLOPWXXXWZGO-CRAIPNDOSA-N 2 0 305.441 2.599 20 0 DFADRP CC(C)NC(=O)[C@@H]1CCC[C@H]([NH2+][C@H](C)C[C@@H]2CCCCC[NH2+]2)C1 ZINC000573197744 429932703 /nfs/dbraw/zinc/93/27/03/429932703.db2.gz ZTOLGUWTWMDRRD-BDXSIMOUSA-N 2 0 323.525 2.970 20 0 DFADRP CCO[C@@H]1C[C@H]([NH2+][C@H]2CCc3nccn3C2)C12CCCCC2 ZINC000369433029 429942611 /nfs/dbraw/zinc/94/26/11/429942611.db2.gz CCWCQPPWCWVRCQ-HRCADAONSA-N 2 0 303.450 2.915 20 0 DFADRP COc1ccc(C[N@@H+]2CCCN(c3cc[nH+]cc3)CC2)cc1F ZINC000639682237 429944138 /nfs/dbraw/zinc/94/41/38/429944138.db2.gz OIPRFFSNNPUNBV-UHFFFAOYSA-N 2 0 315.392 2.942 20 0 DFADRP Cc1cnc(CC[N@@H+]2CCCN(c3cc[nH+]cc3)CC2)c(C)c1 ZINC000639683121 429945894 /nfs/dbraw/zinc/94/58/94/429945894.db2.gz HMIIADMYJGNJGW-UHFFFAOYSA-N 2 0 310.445 2.848 20 0 DFADRP c1ccc2nc(C[N@@H+]3CCCN(c4cc[nH+]cc4)CC3)cnc2c1 ZINC000639684101 429946817 /nfs/dbraw/zinc/94/68/17/429946817.db2.gz QYIOCIXWLIIUTA-UHFFFAOYSA-N 2 0 319.412 2.737 20 0 DFADRP Cc1ccc(OC[C@H](O)C[NH2+][C@@H]2CCC[C@H]([NH+](C)C)C2)c(C)c1 ZINC000573437431 429951339 /nfs/dbraw/zinc/95/13/39/429951339.db2.gz AIVPBPAJXYTRKQ-FGTMMUONSA-N 2 0 320.477 2.506 20 0 DFADRP Cc1nccn1CCC[NH+]1CCC(Cc2nccs2)CC1 ZINC000639986452 430045893 /nfs/dbraw/zinc/04/58/93/430045893.db2.gz WWLVXWGQSYYRGA-UHFFFAOYSA-N 2 0 304.463 2.993 20 0 DFADRP C[NH+](C)CCCCC(=O)NC(C)(C)CC[NH+]1CCCCCC1 ZINC000558751163 429988445 /nfs/dbraw/zinc/98/84/45/429988445.db2.gz DFMIXUJVIHBSKR-UHFFFAOYSA-N 2 0 311.514 2.879 20 0 DFADRP Cc1cc(C)cc(OC[C@H](O)C[NH2+][C@H](C)C(C)(C)C[NH+](C)C)c1 ZINC000573913791 429993886 /nfs/dbraw/zinc/99/38/86/429993886.db2.gz MUJSHIKFDSIDKM-IAGOWNOFSA-N 2 0 322.493 2.609 20 0 DFADRP C[C@H]([NH2+]C[C@H](O)C[NH+]1CCC(C)CC1)[C@@H]1C[C@H]1c1ccccc1 ZINC000558968544 429994947 /nfs/dbraw/zinc/99/49/47/429994947.db2.gz HCCBNNVMFNOLQW-LEAZDLGRSA-N 2 0 316.489 2.861 20 0 DFADRP CN(Cc1nc2cc(Cl)ccc2c(=O)[nH]1)[C@H]1CCC[NH2+]CC1 ZINC000573967299 429999761 /nfs/dbraw/zinc/99/97/61/429999761.db2.gz UNLFSKACLLZXKR-LBPRGKRZSA-N 2 0 320.824 2.563 20 0 DFADRP C[C@H]1CCCC[N@@H+]1CCCC[NH2+]C[C@@H](O)Cc1ccccc1 ZINC000574032808 430004481 /nfs/dbraw/zinc/00/44/81/430004481.db2.gz WSFHGLZNPGHOIC-HKUYNNGSSA-N 2 0 304.478 2.834 20 0 DFADRP C[C@H]([NH2+]Cc1ccccc1C[N@@H+]1CC[C@@H](O)C1)C1CC(F)(F)C1 ZINC000529540062 430023652 /nfs/dbraw/zinc/02/36/52/430023652.db2.gz DSXVASAKTWVHIO-SUMWQHHRSA-N 2 0 324.415 2.777 20 0 DFADRP CC(C)[NH+]1CCN([C@@H]2CC[N@H+](C[C@H]3CCCC3(F)F)C2)CC1 ZINC000560218239 430026350 /nfs/dbraw/zinc/02/63/50/430026350.db2.gz PQPQVWHGKVRGHH-HZPDHXFCSA-N 2 0 315.452 2.522 20 0 DFADRP Cn1cc(C[NH2+][C@@H]2CC[NH2+]CC(C)(C)C2)c(-c2ccccc2)n1 ZINC000634732382 430092856 /nfs/dbraw/zinc/09/28/56/430092856.db2.gz FDFQUXAPGFSTBS-QGZVFWFLSA-N 2 0 312.461 2.955 20 0 DFADRP C[C@@H](CC(=O)Nc1cccc(F)c1)[NH2+][C@H]1CC[NH2+]CC(C)(C)C1 ZINC000634733096 430093696 /nfs/dbraw/zinc/09/36/96/430093696.db2.gz XAXOOJCCPJMWIA-BBRMVZONSA-N 2 0 321.440 2.911 20 0 DFADRP CC1(C)C[NH2+]CC[C@@H]([NH2+]Cc2cnn(Cc3ccccc3)c2)C1 ZINC000634732568 430094456 /nfs/dbraw/zinc/09/44/56/430094456.db2.gz JIEDZQORMNWDKB-GOSISDBHSA-N 2 0 312.461 2.799 20 0 DFADRP C[NH+](C)C[C@@H](N[C@@H]1CC[NH2+]C1)c1ccc(Cl)c(Cl)c1 ZINC000530221434 430104957 /nfs/dbraw/zinc/10/49/57/430104957.db2.gz FMWOQQIJZCLZCZ-BXUZGUMPSA-N 2 0 302.249 2.548 20 0 DFADRP Cc1nn(C)c2sc([C@H](C)[NH2+]C[C@H]3CCCN(C)C3)cc12 ZINC000562042115 430106478 /nfs/dbraw/zinc/10/64/78/430106478.db2.gz UKRYOXXERPAUAH-QWHCGFSZSA-N 2 0 306.479 2.936 20 0 DFADRP c1ccc(OCCC[NH+]2CCC(CO[C@H]3CC[NH2+]C3)CC2)cc1 ZINC000530239228 430107910 /nfs/dbraw/zinc/10/79/10/430107910.db2.gz FQZKNHGZSZMOTL-IBGZPJMESA-N 2 0 318.461 2.546 20 0 DFADRP C[C@@H]([NH2+][C@@H]1CCc2nc[nH]c2C1)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000562101097 430109291 /nfs/dbraw/zinc/10/92/91/430109291.db2.gz ZGRJUBKWRAKALT-DGCLKSJQSA-N 2 0 324.428 2.848 20 0 DFADRP CC1(C)C[C@@H]([NH2+]CC2CCN(c3cc[nH+]cc3)CC2)CCO1 ZINC000634681696 430075953 /nfs/dbraw/zinc/07/59/53/430075953.db2.gz VPUKJUXQLVMHRG-INIZCTEOSA-N 2 0 303.450 2.845 20 0 DFADRP c1ccc(-c2noc(CN3CCCC[C@@H]3[C@H]3CC[NH2+]C3)n2)cc1 ZINC000561278940 430084382 /nfs/dbraw/zinc/08/43/82/430084382.db2.gz UZTQCYFEFXLEIU-JKSUJKDBSA-N 2 0 312.417 2.701 20 0 DFADRP COCCc1ncc(CN(C)C2CC[NH+](C(C)C)CC2)s1 ZINC000637890392 430162703 /nfs/dbraw/zinc/16/27/03/430162703.db2.gz YCADYYUKAUWHTJ-UHFFFAOYSA-N 2 0 311.495 2.637 20 0 DFADRP Cn1c2ccccc2nc1N[C@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC000535689065 430166690 /nfs/dbraw/zinc/16/66/90/430166690.db2.gz CXTHPVGYFILAHG-DOTOQJQBSA-N 2 0 314.433 2.629 20 0 DFADRP c1cnc2cc(C[NH+]3CCC(C[NH+]4CCCC4)CC3)ccc2n1 ZINC000637904112 430166993 /nfs/dbraw/zinc/16/69/93/430166993.db2.gz ALSSQYCKOLOSFN-UHFFFAOYSA-N 2 0 310.445 2.938 20 0 DFADRP [NH3+]Cc1cccc(NC(=O)[C@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000637800310 430133808 /nfs/dbraw/zinc/13/38/08/430133808.db2.gz DDUAUSMJUUSMBC-KRWDZBQOSA-N 2 0 309.413 2.606 20 0 DFADRP COc1ccc(C[NH+](C)C)cc1NC(=O)C[N@H+]1[C@H](C)CC[C@@H]1C ZINC000531288727 430136163 /nfs/dbraw/zinc/13/61/63/430136163.db2.gz IZVYENDTLZHSKK-OKILXGFUSA-N 2 0 319.449 2.568 20 0 DFADRP O[C@@H]1CCC[C@H]1[NH+]1CCC([NH2+]Cc2ccc3[nH]ccc3c2)CC1 ZINC000581201525 430187583 /nfs/dbraw/zinc/18/75/83/430187583.db2.gz WNHIGSNIGTUCKT-RTBURBONSA-N 2 0 313.445 2.635 20 0 DFADRP C[NH+]1CCC(N2CC[C@@H]([NH2+][C@@H]3CCCc4ccccc43)C2)CC1 ZINC000370637904 277028010 /nfs/dbraw/zinc/02/80/10/277028010.db2.gz VVEODUGCJMZBHO-YLJYHZDGSA-N 2 0 313.489 2.822 20 0 DFADRP C[NH+]1CCC(O)(C[NH2+][C@H]2CCCc3c(Cl)cccc32)CC1 ZINC000273621792 277032094 /nfs/dbraw/zinc/03/20/94/277032094.db2.gz ZHGGVVPHHHBUCO-INIZCTEOSA-N 2 0 308.853 2.764 20 0 DFADRP C[C@@H]1C[C@H](N(C)CC23CC(C2)C[NH2+]3)CC[N@@H+]1Cc1ccccc1 ZINC000634992467 430185621 /nfs/dbraw/zinc/18/56/21/430185621.db2.gz PYXOYYZBLLAXJN-IHJVYAAUSA-N 2 0 313.489 2.723 20 0 DFADRP C[N@@H+]1CCCN(CCC[NH2+][C@@H]2CCc3c2c(F)ccc3F)CC1 ZINC000269836000 277051443 /nfs/dbraw/zinc/05/14/43/277051443.db2.gz ASDPMUZBFMAERY-QGZVFWFLSA-N 2 0 323.431 2.569 20 0 DFADRP Cc1cc(C)cc(OC[C@H](O)C[NH2+][C@@H]2CCC[C@H]([NH+](C)C)C2)c1 ZINC000581185772 430186715 /nfs/dbraw/zinc/18/67/15/430186715.db2.gz GWQOPSWUXBXVEQ-FGTMMUONSA-N 2 0 320.477 2.506 20 0 DFADRP C[N@@H+]1CCC[C@@H]1CC[NH+](Cc1ccccc1)[C@H](CO)C1CC1 ZINC000271049634 277059818 /nfs/dbraw/zinc/05/98/18/277059818.db2.gz WQBUBOKGMJUEEW-RTBURBONSA-N 2 0 302.462 2.744 20 0 DFADRP COc1cccc(N2CC[C@H]([NH2+][C@@H]3CCCCC[C@@H]3[NH3+])C2)c1 ZINC000581185109 430186972 /nfs/dbraw/zinc/18/69/72/430186972.db2.gz RGSNXFQNUFHHQL-JCGIZDLHSA-N 2 0 303.450 2.524 20 0 DFADRP Nc1ccc(-c2cccc(C[NH2+]CCC[C@H]3CCC[NH2+]3)n2)cc1 ZINC000634995321 430187237 /nfs/dbraw/zinc/18/72/37/430187237.db2.gz ATEMXCASMRVEEO-KRWDZBQOSA-N 2 0 310.445 2.953 20 0 DFADRP Nc1ccc(-c2cccc(C[NH2+]CCC[C@@H]3CCC[NH2+]3)n2)cc1 ZINC000634995322 430187424 /nfs/dbraw/zinc/18/74/24/430187424.db2.gz ATEMXCASMRVEEO-QGZVFWFLSA-N 2 0 310.445 2.953 20 0 DFADRP C[NH+](C)CCCN[C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000581130968 430180735 /nfs/dbraw/zinc/18/07/35/430180735.db2.gz AYUGSKUDYRMGAB-GOSISDBHSA-N 2 0 301.478 2.725 20 0 DFADRP C[N@@H+]1CCC[C@H]1CC[NH2+][C@H](c1ccccc1)C1(CO)CCC1 ZINC000292894208 277078936 /nfs/dbraw/zinc/07/89/36/277078936.db2.gz ZABPZQFLLREPNW-ZWKOTPCHSA-N 2 0 302.462 2.964 20 0 DFADRP [NH3+]C[C@H]1CCC[C@H]1[NH2+][C@@H]1[C@H]2Cc3cc(Br)ccc3[C@@H]12 ZINC000635006803 430194741 /nfs/dbraw/zinc/19/47/41/430194741.db2.gz SYAHKANWQMJKGI-NAXVBUTDSA-N 2 0 321.262 2.804 20 0 DFADRP c1ccc2c(c1)NCCC[C@H]2Nc1cc(N2CC[NH2+]CC2)cc[nH+]1 ZINC000635007072 430194751 /nfs/dbraw/zinc/19/47/51/430194751.db2.gz DQADTBQVRWGFAY-GOSISDBHSA-N 2 0 323.444 2.850 20 0 DFADRP CCCC[N@H+](C)C[C@@H](C)NC(=O)c1ccc(CC[NH+](C)C)cc1 ZINC000563394664 430187822 /nfs/dbraw/zinc/18/78/22/430187822.db2.gz MPFMLEVFNWZDIV-MRXNPFEDSA-N 2 0 319.493 2.641 20 0 DFADRP C[C@@H]1C[C@H](C[NH2+][C@@H](CCO)c2ccc(Cl)c(F)c2)CC[NH2+]1 ZINC000634997983 430189118 /nfs/dbraw/zinc/18/91/18/430189118.db2.gz XVKFFJQKQSZUMG-HSMVNMDESA-N 2 0 314.832 2.880 20 0 DFADRP COc1ccc(-c2ccncc2)cc1C[N@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000634999163 430189273 /nfs/dbraw/zinc/18/92/73/430189273.db2.gz QUKWPTMCBLZQCN-RDTXWAMCSA-N 2 0 311.429 2.784 20 0 DFADRP CCC[C@@H](C[N@@H+]1CC[C@@H](n2cc(C[NH3+])nn2)C1)c1ccccc1 ZINC000635000244 430190008 /nfs/dbraw/zinc/19/00/08/430190008.db2.gz KCUKAYHQGYWTSE-FUHWJXTLSA-N 2 0 313.449 2.568 20 0 DFADRP [NH3+]C1CCC([NH2+][C@@H](CO)c2cccc(C(F)(F)F)c2)CC1 ZINC000634997687 430190058 /nfs/dbraw/zinc/19/00/58/430190058.db2.gz QQGDBBOUCRKDRR-RUXDESIVSA-N 2 0 302.340 2.598 20 0 DFADRP [NH3+][C@@H]1CCC[C@H]([NH2+][C@@H](CO)c2cccc(C(F)(F)F)c2)C1 ZINC000634997531 430190656 /nfs/dbraw/zinc/19/06/56/430190656.db2.gz NLJNFFXTUUJMCC-RDBSUJKOSA-N 2 0 302.340 2.598 20 0 DFADRP C[C@H]([NH3+])[C@@H]1COCC[C@H]1[NH2+]Cc1ccsc1C(F)(F)F ZINC000635002960 430191010 /nfs/dbraw/zinc/19/10/10/430191010.db2.gz CKWQTWXNJBJGKS-INTQDDNPSA-N 2 0 308.369 2.609 20 0 DFADRP C[C@@H]([NH2+][C@@H]1[C@H]2Cc3cc(Br)ccc3[C@@H]12)[C@H]1CC[NH2+]C1 ZINC000635001423 430191121 /nfs/dbraw/zinc/19/11/21/430191121.db2.gz RVFAQYBAYYRSEG-ZTIHKXHJSA-N 2 0 321.262 2.675 20 0 DFADRP COc1ccc([C@@H](C)[NH2+][C@H]2CC[C@H](C[NH3+])CC2)cc1NC(C)=O ZINC000635003796 430191217 /nfs/dbraw/zinc/19/12/17/430191217.db2.gz BRVKDHPEMGWQKP-XNRPHZJLSA-N 2 0 319.449 2.822 20 0 DFADRP [NH3+][C@H]1CCC[C@H]1[NH2+][C@@H]1[C@H]2Cc3cc(Br)ccc3[C@@H]12 ZINC000635003921 430192277 /nfs/dbraw/zinc/19/22/77/430192277.db2.gz FYQHQYHSWNNOJG-VQJWOFKYSA-N 2 0 307.235 2.557 20 0 DFADRP CCC[C@@H](C)NC(=O)[C@@H](C)[N@H+](C)CCCC[NH+]1CCCCC1 ZINC000640530168 430192732 /nfs/dbraw/zinc/19/27/32/430192732.db2.gz AJAVMHSVGVVRRY-IAGOWNOFSA-N 2 0 311.514 2.878 20 0 DFADRP C[C@@H](C(=O)N1CCCCC1)[N@H+](C)CCCC[NH+]1CCCCC1 ZINC000640531456 430192928 /nfs/dbraw/zinc/19/29/28/430192928.db2.gz JWXGHDRACQPRGP-KRWDZBQOSA-N 2 0 309.498 2.585 20 0 DFADRP CCO[C@H]1C[C@H]([NH2+]Cc2cccc3c2CC[NH2+]C3)C12CCC2 ZINC000635007280 430193223 /nfs/dbraw/zinc/19/32/23/430193223.db2.gz CRVHIGQMRJCEAQ-ROUUACIJSA-N 2 0 300.446 2.770 20 0 DFADRP CCO[C@@H]1C[C@@H]([NH2+][C@H]2CC[C@H](C[NH3+])CC2)[C@H]1Oc1ccccc1 ZINC000635005729 430194079 /nfs/dbraw/zinc/19/40/79/430194079.db2.gz OXKDSGPBJVCLIL-POGZOPGASA-N 2 0 318.461 2.719 20 0 DFADRP Cn1nccc1[C@H]1CCC[C@H]([NH2+]Cc2cccc3c2CC[NH2+]C3)C1 ZINC000635011994 430195324 /nfs/dbraw/zinc/19/53/24/430195324.db2.gz RZOUZGDAYMHZOG-YJBOKZPZSA-N 2 0 324.472 2.882 20 0 DFADRP C[C@@H]([NH2+][C@H]1CC[NH2+]CC(C)(C)C1)c1ccccc1-n1ccnn1 ZINC000635012368 430196053 /nfs/dbraw/zinc/19/60/53/430196053.db2.gz TXKZUJRPPRLWOX-CABCVRRESA-N 2 0 313.449 2.696 20 0 DFADRP CSC[C@H](O)C[NH2+]Cc1cccc(C[NH+]2CCC(C)CC2)c1 ZINC000581305314 430197548 /nfs/dbraw/zinc/19/75/48/430197548.db2.gz CGMWWFOPFSSWPK-GOSISDBHSA-N 2 0 322.518 2.732 20 0 DFADRP CC(C)[C@H]1CN([C@@H]2CC[NH2+][C@H](c3ccccc3)C2)CC[N@@H+]1C ZINC000635014127 430198292 /nfs/dbraw/zinc/19/82/92/430198292.db2.gz YHHXHDCESBXJRH-CEXWTWQISA-N 2 0 301.478 2.752 20 0 DFADRP c1ccc(C[N@@H+]2CCCCC[C@H](NC3CC[NH2+]CC3)C2)cc1 ZINC000635016488 430198350 /nfs/dbraw/zinc/19/83/50/430198350.db2.gz CCCKPUKSCCVHGM-IBGZPJMESA-N 2 0 301.478 2.773 20 0 DFADRP Cc1ccc(CN2CC[C@H]([NH2+][C@@H]3CCCC[C@H]3C[NH3+])C2)cc1 ZINC000635013688 430198454 /nfs/dbraw/zinc/19/84/54/430198454.db2.gz VCKWLSNCPAEJGK-GBESFXJTSA-N 2 0 301.478 2.676 20 0 DFADRP CC[NH2+][C@@H](C)C(=O)NC[C@@H](c1cccs1)[NH+]1CCC(C)CC1 ZINC000638049404 430218523 /nfs/dbraw/zinc/21/85/23/430218523.db2.gz DZDVSOYKGBCUTG-GJZGRUSLSA-N 2 0 323.506 2.635 20 0 DFADRP CC[NH2+][C@H](C)C(=O)Nc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000638064379 430223960 /nfs/dbraw/zinc/22/39/60/430223960.db2.gz SUKINPZQDORATK-HUUCEWRRSA-N 2 0 303.450 2.855 20 0 DFADRP Cc1cc2ncc([C@H](C)[NH2+]Cc3ccc4c[nH+]cn4c3)c(C)n2n1 ZINC000581535895 430216967 /nfs/dbraw/zinc/21/69/67/430216967.db2.gz PSMUUSHNOMPZIA-ZDUSSCGKSA-N 2 0 320.400 2.845 20 0 DFADRP Cc1ccc(C[NH2+][C@H]2CCC[C@H]([NH3+])C2)c(-n2cc(Cl)cn2)n1 ZINC000581834992 430243819 /nfs/dbraw/zinc/24/38/19/430243819.db2.gz IPOBRAHTGBDEJN-GJZGRUSLSA-N 2 0 319.840 2.589 20 0 DFADRP CC(C)CC[C@H]([NH3+])C(=O)NCC1CC[NH+](CCC(C)C)CC1 ZINC000638131278 430246691 /nfs/dbraw/zinc/24/66/91/430246691.db2.gz LDIYIGUSDYJJKL-KRWDZBQOSA-N 2 0 311.514 2.624 20 0 DFADRP C[C@H](C(=O)NCc1ccc(C[N@@H+]2CCCC[C@@H]2C)cc1)[NH+](C)C ZINC000635303914 430249620 /nfs/dbraw/zinc/24/96/20/430249620.db2.gz PIWXWJYUDUWNEW-JKSUJKDBSA-N 2 0 317.477 2.627 20 0 DFADRP COc1cncc(C[N@@H+]2CCC[C@H]2Cn2ccnc2C)c1C ZINC000638147421 430252278 /nfs/dbraw/zinc/25/22/78/430252278.db2.gz SEEUDMKRFYDVPQ-INIZCTEOSA-N 2 0 300.406 2.568 20 0 DFADRP [NH3+][C@@H]1CCC[C@H](C[NH2+]Cc2ccc(Oc3cnccn3)cc2)C1 ZINC000581931234 430252760 /nfs/dbraw/zinc/25/27/60/430252760.db2.gz AHDCXMWTXJQWGX-JKSUJKDBSA-N 2 0 312.417 2.876 20 0 DFADRP C[N@H+](Cc1ccccc1)[C@H](CN[C@@H]1CCC[C@H]([NH3+])C1)C1CC1 ZINC000566482476 430265373 /nfs/dbraw/zinc/26/53/73/430265373.db2.gz NWGLIAREMNIDIB-IPMKNSEASA-N 2 0 301.478 2.757 20 0 DFADRP CC(C)CC[C@H]([NH3+])C(=O)N[C@@H](C[NH3+])c1ccc2ccccc2c1 ZINC000638205368 430274261 /nfs/dbraw/zinc/27/42/61/430274261.db2.gz PLVNJFSVNQGHFT-ROUUACIJSA-N 2 0 313.445 2.719 20 0 DFADRP C[N@@H+]1CCCC[C@@H]1CCC(=O)N1CCC(C)([NH+]2CCCC2)CC1 ZINC000640878404 430275191 /nfs/dbraw/zinc/27/51/91/430275191.db2.gz AGSFXOQVYZLTFQ-QGZVFWFLSA-N 2 0 321.509 2.728 20 0 DFADRP C[NH+](C)[C@H](CNC(=O)[C@H]1CCCCC[NH2+]1)c1ccc(Cl)cc1 ZINC000582184149 430276750 /nfs/dbraw/zinc/27/67/50/430276750.db2.gz OABDUTZTPCLBAT-HZPDHXFCSA-N 2 0 323.868 2.591 20 0 DFADRP CC[NH+](CC)CC1CCN(C(=O)C[N@H+](C)CC(C)(C)C)CC1 ZINC000635447021 430281077 /nfs/dbraw/zinc/28/10/77/430281077.db2.gz IKHZILDEJFHKED-UHFFFAOYSA-N 2 0 311.514 2.545 20 0 DFADRP CC(C)CC[C@H]([NH3+])C(=O)N1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000638086961 430229695 /nfs/dbraw/zinc/22/96/95/430229695.db2.gz YASNSIYSGGKGFA-MSOLQXFVSA-N 2 0 323.525 2.720 20 0 DFADRP CC[C@@H]1CCC[C@H]1[NH2+]Cc1ccccc1C[N@@H+]1CC[C@@H](O)C1 ZINC000542852047 430230312 /nfs/dbraw/zinc/23/03/12/430230312.db2.gz OSWWUPLURXVNBR-ATZDWAIDSA-N 2 0 302.462 2.922 20 0 DFADRP OC1CC[NH+](Cc2ccc(C[NH2+]C[C@@H]3C[C@H]4C[C@H]4C3)cc2)CC1 ZINC000638273806 430290018 /nfs/dbraw/zinc/29/00/18/430290018.db2.gz LBIHNQJVBXBBTO-REPLKXPHSA-N 2 0 314.473 2.779 20 0 DFADRP Cc1cc(C[NH3+])oc1C(=O)N1CCC[C@H]([NH+]2[C@H](C)CC[C@H]2C)C1 ZINC000638272960 430291006 /nfs/dbraw/zinc/29/10/06/430291006.db2.gz FTJQNBZGOVGZGU-KFWWJZLASA-N 2 0 319.449 2.524 20 0 DFADRP C[C@H]([NH2+]C(C)(C)CNC(=O)C1(C[NH+](C)C)CC1)c1ccccc1 ZINC000635494345 430293814 /nfs/dbraw/zinc/29/38/14/430293814.db2.gz HXPVOOZUYSOLLQ-HNNXBMFYSA-N 2 0 317.477 2.574 20 0 DFADRP C[NH+](C)CCCN[C@H]1CC[N@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000638289396 430294989 /nfs/dbraw/zinc/29/49/89/430294989.db2.gz HPKMZKLTADPLNU-PKOBYXMFSA-N 2 0 301.478 2.896 20 0 DFADRP C[NH+](C)CCCN[C@@H]1CC[N@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000638289395 430295023 /nfs/dbraw/zinc/29/50/23/430295023.db2.gz HPKMZKLTADPLNU-MJGOQNOKSA-N 2 0 301.478 2.896 20 0 DFADRP CO[C@@H](C[NH2+]CCC[N@H+](C)Cc1ccccc1)C1CCOCC1 ZINC000638311301 430301108 /nfs/dbraw/zinc/30/11/08/430301108.db2.gz ZCJYQLCENDBQBV-IBGZPJMESA-N 2 0 320.477 2.540 20 0 DFADRP C[N@H+](CC(=O)Nc1ncc(C2CC[NH2+]CC2)s1)CC(C)(C)C ZINC000638329972 430306448 /nfs/dbraw/zinc/30/64/48/430306448.db2.gz YKEBTICLRREKHC-UHFFFAOYSA-N 2 0 324.494 2.527 20 0 DFADRP CCC[NH+]1CCC(N(C)Cc2ccc3c(c2)C[NH2+]CC3)CC1 ZINC000568051678 430311294 /nfs/dbraw/zinc/31/12/94/430311294.db2.gz XYLFKDRBDPSGOX-UHFFFAOYSA-N 2 0 301.478 2.639 20 0 DFADRP CCC(CC)[C@H](C[NH2+][C@@H](C)C[C@@H]1CCCC(=O)N1)[NH+]1CCCC1 ZINC000638349968 430311472 /nfs/dbraw/zinc/31/14/72/430311472.db2.gz XPERVCOPUGEIBC-SZMVWBNQSA-N 2 0 323.525 2.924 20 0 DFADRP CC[NH+]1CCC(CCNC(=O)CC[N@H+](C)C2CCCCC2)CC1 ZINC000545309477 430314944 /nfs/dbraw/zinc/31/49/44/430314944.db2.gz BFHONOLFVYUSSA-UHFFFAOYSA-N 2 0 323.525 2.879 20 0 DFADRP CN1CC[NH+](CCCC[NH2+]CC2C3CC4CC(C3)CC2C4)CC1 ZINC000638359160 430315323 /nfs/dbraw/zinc/31/53/23/430315323.db2.gz HISSQWFPDJEWAK-UHFFFAOYSA-N 2 0 319.537 2.676 20 0 DFADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCC[NH2+]C2CC(n3cccn3)C2)C1 ZINC000638371931 430320676 /nfs/dbraw/zinc/32/06/76/430320676.db2.gz UVUNFTUHROTWOV-OQSMONGASA-N 2 0 304.482 2.934 20 0 DFADRP CCCCN(CCCC)C(=O)C[N@@H+]1CC[C@H](c2nccn2C)C1 ZINC000568166343 430322745 /nfs/dbraw/zinc/32/27/45/430322745.db2.gz ITHIYRCWBSYFNI-INIZCTEOSA-N 2 0 320.481 2.638 20 0 DFADRP CCCCN(CCCC)C(=O)C[N@@H+]1CC[C@@H](c2nccn2C)C1 ZINC000568166344 430323029 /nfs/dbraw/zinc/32/30/29/430323029.db2.gz ITHIYRCWBSYFNI-MRXNPFEDSA-N 2 0 320.481 2.638 20 0 DFADRP CCC[N@@H+]1CC[C@@H](C[NH2+]C[C@H]2CCN(c3ccccc3)C2)C1 ZINC000638409115 430332899 /nfs/dbraw/zinc/33/28/99/430332899.db2.gz JDRPFTQHXDEFNG-ZWKOTPCHSA-N 2 0 301.478 2.834 20 0 DFADRP CC(C)(C)O[C@@H]1C[C@@H]([NH2+]C[C@H](O)C[NH+]2CCCCC2)C12CCC2 ZINC000638412352 430333910 /nfs/dbraw/zinc/33/39/10/430333910.db2.gz OETNEUMMQIKPJH-GVDBMIGSSA-N 2 0 324.509 2.549 20 0 DFADRP C[C@@H]([NH2+][C@@H]1CCC[C@@H]([NH3+])C1)c1ccc(-n2cccn2)c(F)c1 ZINC000568248105 430338019 /nfs/dbraw/zinc/33/80/19/430338019.db2.gz HQYTTWMWEUWPNH-BPLDGKMQSA-N 2 0 302.397 2.932 20 0 DFADRP CC[NH2+]CCC[NH2+][C@@H](C)CC(=O)Nc1ccc(C)cc1Cl ZINC000582839246 430339455 /nfs/dbraw/zinc/33/94/55/430339455.db2.gz IUBGPPLGRLIGTH-ZDUSSCGKSA-N 2 0 311.857 2.955 20 0 DFADRP CC[N@@H+]1CCC[C@@H](CNCc2cc(OC)c(O)cc2Cl)C1 ZINC000638450357 430346930 /nfs/dbraw/zinc/34/69/30/430346930.db2.gz NQIJRMXGJRIYGB-LBPRGKRZSA-N 2 0 312.841 2.876 20 0 DFADRP Cc1ccc(CC[NH2+][C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)cn1 ZINC000568988716 430412628 /nfs/dbraw/zinc/41/26/28/430412628.db2.gz DKESKWXJUINANE-AZUAARDMSA-N 2 0 323.440 2.778 20 0 DFADRP C[C@@H]1C[C@H]([NH2+]Cc2ccccc2C[NH+]2CCC(O)CC2)CS1 ZINC000638718161 430415551 /nfs/dbraw/zinc/41/55/51/430415551.db2.gz FEBKKBPTOOXFPG-PBHICJAKSA-N 2 0 320.502 2.627 20 0 DFADRP C[N@@H+]1CCCC[C@H]1C(=O)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000635725991 430359862 /nfs/dbraw/zinc/35/98/62/430359862.db2.gz YMFMOZPKRZTSAO-SFHVURJKSA-N 2 0 321.509 2.585 20 0 DFADRP CC[C@H](Cc1ccccc1)[NH2+]C1CC[NH+](CC(C)(C)O)CC1 ZINC000638507739 430361562 /nfs/dbraw/zinc/36/15/62/430361562.db2.gz LELSYJMEUGNROR-QGZVFWFLSA-N 2 0 304.478 2.833 20 0 DFADRP COc1cc2ccnc(NCCc3cn(C)cn3)c2cc1F ZINC000583130795 430366702 /nfs/dbraw/zinc/36/67/02/430366702.db2.gz CJISVPUQTKSGEZ-UHFFFAOYSA-N 2 0 300.337 2.771 20 0 DFADRP C[NH+](C)CCCC1CCN(C(=O)C[N@H+](C)CC(C)(C)C)CC1 ZINC000635754054 430367682 /nfs/dbraw/zinc/36/76/82/430367682.db2.gz UJJMIDRBAQNSOZ-UHFFFAOYSA-N 2 0 311.514 2.545 20 0 DFADRP CCSc1cccc(C[NH2+]CCCC[NH+]2CCN(C)CC2)c1 ZINC000546728742 430367823 /nfs/dbraw/zinc/36/78/23/430367823.db2.gz BFDZCTQVYVTNJY-UHFFFAOYSA-N 2 0 321.534 2.916 20 0 DFADRP C[C@H](C(=O)N1CCCc2cccc(C[NH3+])c21)[C@@H]([NH3+])c1ccccc1 ZINC000638549169 430373495 /nfs/dbraw/zinc/37/34/95/430373495.db2.gz PZGKJKWXPVBGAO-KBXCAEBGSA-N 2 0 323.440 2.761 20 0 DFADRP C[C@@H](C(=O)N1CCCc2cccc(C[NH3+])c21)[NH+]1CCCCCC1 ZINC000638545152 430374100 /nfs/dbraw/zinc/37/41/00/430374100.db2.gz QBHDNHXZVGLFGG-HNNXBMFYSA-N 2 0 315.461 2.689 20 0 DFADRP C[C@H](C[C@@H]1CCCC(=O)N1)[NH2+]C[C@@H](C)N(C)Cc1ccccc1 ZINC000638618023 430389522 /nfs/dbraw/zinc/38/95/22/430389522.db2.gz LCBYFEBJOGBBRN-NUJGCVRESA-N 2 0 317.477 2.544 20 0 DFADRP Cn1c(C[NH2+]CCCC[N@@H+]2CCC[C@@H]2CO)cc2ccccc21 ZINC000638617769 430389553 /nfs/dbraw/zinc/38/95/53/430389553.db2.gz BDYVMQUZHPUPDY-QGZVFWFLSA-N 2 0 315.461 2.505 20 0 DFADRP CC(C)(O)C[NH+]1CCC([NH2+]CC(C)(C)c2cccs2)CC1 ZINC000638620984 430391959 /nfs/dbraw/zinc/39/19/59/430391959.db2.gz FRMFPKHHOIKFTL-UHFFFAOYSA-N 2 0 310.507 2.851 20 0 DFADRP C[N@@H+]1CC[C@@H](CC(=O)Nc2ccccc2Nc2cc[nH+]cc2)C1 ZINC000635876933 430401130 /nfs/dbraw/zinc/40/11/30/430401130.db2.gz JGVDABCEYSYEQA-AWEZNQCLSA-N 2 0 310.401 2.527 20 0 DFADRP C[NH+](C)CC1(C(=O)Nc2ccccc2Nc2cc[nH+]cc2)CC1 ZINC000635876547 430401191 /nfs/dbraw/zinc/40/11/91/430401191.db2.gz FWRUUOWGRMWIHT-UHFFFAOYSA-N 2 0 310.401 2.527 20 0 DFADRP C[C@H](O)C[NH2+]C[C@@]1(C(C)(C)C)CC[N@H+](Cc2ccccc2)C1 ZINC000638796840 430436746 /nfs/dbraw/zinc/43/67/46/430436746.db2.gz MSNOCJZTECTOEX-LPHOPBHVSA-N 2 0 304.478 2.895 20 0 DFADRP C[C@H](O)[C@](C)(C[NH2+][C@@H](C)[C@@H]1CCC[NH2+]C1)Cc1ccccc1 ZINC000583928629 430442422 /nfs/dbraw/zinc/44/24/22/430442422.db2.gz MEMMXIPVBVZEHC-DKKFBQAASA-N 2 0 304.478 2.594 20 0 DFADRP C[C@@H](O)[C@](C)(C[NH2+][C@@H](C)[C@H]1CCC[NH2+]C1)Cc1ccccc1 ZINC000583928631 430442853 /nfs/dbraw/zinc/44/28/53/430442853.db2.gz MEMMXIPVBVZEHC-NBMJBFSESA-N 2 0 304.478 2.594 20 0 DFADRP C[C@@H]1CCCC[N@@H+]1CCC1CCN(C(=O)[C@@]2(C)CCC[NH2+]2)CC1 ZINC000583937179 430443179 /nfs/dbraw/zinc/44/31/79/430443179.db2.gz CENJTQFNFHLCCM-VQIMIIECSA-N 2 0 321.509 2.632 20 0 DFADRP CC[NH+](CC)[C@@H]1CCN(C(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC000548064502 430443160 /nfs/dbraw/zinc/44/31/60/430443160.db2.gz QIEROPQRSDJSQY-QGZVFWFLSA-N 2 0 309.498 2.584 20 0 DFADRP CCN(CCC[NH+]1CCCC1)C(=O)CC[N@H+](C)C1CCCCC1 ZINC000548064985 430443598 /nfs/dbraw/zinc/44/35/98/430443598.db2.gz HRNIRVFUHOAPPP-UHFFFAOYSA-N 2 0 323.525 2.975 20 0 DFADRP C[C@H]1CCCC[N@@H+]1CCNC(=O)CC[NH+](C)C1CCCCC1 ZINC000548060657 430444497 /nfs/dbraw/zinc/44/44/97/430444497.db2.gz NVHVLDQFOJLYEP-INIZCTEOSA-N 2 0 309.498 2.632 20 0 DFADRP C[C@H](CNC(=O)CC[N@H+](C)C1CCCCC1)[NH+]1CCC[C@H](C)C1 ZINC000548061031 430444693 /nfs/dbraw/zinc/44/46/93/430444693.db2.gz PFVSOGDKBFHUOX-DLBZAZTESA-N 2 0 323.525 2.878 20 0 DFADRP Nc1cnccc1C[NH2+]CC1CC[NH+](Cc2ccccc2)CC1 ZINC000641710388 430448696 /nfs/dbraw/zinc/44/86/96/430448696.db2.gz VUBOAKJODZDDQX-UHFFFAOYSA-N 2 0 310.445 2.666 20 0 DFADRP CC[NH+](CC)Cc1ccc(C(=O)N[C@@H]2C[C@H]([NH+](C)C)C2(C)C)o1 ZINC000636086769 430457763 /nfs/dbraw/zinc/45/77/63/430457763.db2.gz AOEGIAZZAXVQGY-CVEARBPZSA-N 2 0 321.465 2.580 20 0 DFADRP CCn1cc(C[NH2+]CC2=CC[N@H+](C)CC2)c(-c2ccccc2)n1 ZINC000641746410 430458426 /nfs/dbraw/zinc/45/84/26/430458426.db2.gz WXCMMDUUTWPXJW-UHFFFAOYSA-N 2 0 310.445 2.922 20 0 DFADRP CC(C)[C@@H](CN(C)Cc1ccccc1)[NH2+]Cc1ccncc1N ZINC000641747425 430460563 /nfs/dbraw/zinc/46/05/63/430460563.db2.gz HASOGZOEGPSSLH-LJQANCHMSA-N 2 0 312.461 2.910 20 0 DFADRP C[N@H+](CCC(=O)NC[C@@H]1[NH+](C)CCCC1(C)C)C1CCCCC1 ZINC000548394264 430468833 /nfs/dbraw/zinc/46/88/33/430468833.db2.gz OPMJDPSYLKIZGY-KRWDZBQOSA-N 2 0 323.525 2.878 20 0 DFADRP CCC[N@H+](CC)Cc1ccc(C(=O)N2C[C@H](C)[C@@H](C[NH3+])C2)cc1 ZINC000638895207 430470187 /nfs/dbraw/zinc/47/01/87/430470187.db2.gz SQRNPBHEDIAZSU-YJBOKZPZSA-N 2 0 317.477 2.585 20 0 DFADRP CC1(C)[C@H]([NH3+])C[C@@H]1[NH2+]Cc1ccc(OCc2ccncc2)cc1 ZINC000641801185 430477011 /nfs/dbraw/zinc/47/70/11/430477011.db2.gz AXEBSCZCHDURNQ-MSOLQXFVSA-N 2 0 311.429 2.876 20 0 DFADRP O=C(CC[NH2+]C[C@H]1CC[N@@H+](C2CC2)C1)Nc1ccc(Cl)cc1 ZINC000569686684 430477111 /nfs/dbraw/zinc/47/71/11/430477111.db2.gz TXHOFEPYIRTBGC-CYBMUJFWSA-N 2 0 321.852 2.743 20 0 DFADRP CC[NH+](CC)CCCC1CCN(C(=O)[C@H](C)[NH+]2CC(C)C2)CC1 ZINC000583702305 430420227 /nfs/dbraw/zinc/42/02/27/430420227.db2.gz PIVGHDPZKJRPBC-KRWDZBQOSA-N 2 0 323.525 2.687 20 0 DFADRP C[NH+](C)[C@@H](CNC(=O)Nc1ccc2c(c1)C[NH2+]C2)c1ccccc1 ZINC000569084969 430421714 /nfs/dbraw/zinc/42/17/14/430421714.db2.gz NGKKFSXGXOXPOG-SFHVURJKSA-N 2 0 324.428 2.714 20 0 DFADRP C[NH+](C)[C@@H]1CCc2cc(NC(=O)C[C@H]3CC[N@H+](C)C3)ccc21 ZINC000635997361 430433353 /nfs/dbraw/zinc/43/33/53/430433353.db2.gz UTTCSUOACMCFIR-CXAGYDPISA-N 2 0 301.434 2.516 20 0 DFADRP CCCc1nc(C)c(C[NH+]2CCC(CO[C@H]3CC[NH2+]C3)CC2)o1 ZINC000641823009 430482558 /nfs/dbraw/zinc/48/25/58/430482558.db2.gz OZWGLFUQMWHDDW-INIZCTEOSA-N 2 0 321.465 2.526 20 0 DFADRP CC[C@@H]1CC[C@H]1[NH2+][C@@H](CN1CC[NH+](C)CC1)c1ccccc1 ZINC000569756989 430484111 /nfs/dbraw/zinc/48/41/11/430484111.db2.gz HBVWSZUWTTZWLH-QRQLOZEOSA-N 2 0 301.478 2.753 20 0 DFADRP CCC[C@H](C[NH2+]Cc1ccccc1C[N@@H+]1CCC[C@@H]1CO)OC ZINC000638970291 430484153 /nfs/dbraw/zinc/48/41/53/430484153.db2.gz KVOYMNHWOVITRK-RTBURBONSA-N 2 0 320.477 2.548 20 0 DFADRP C[C@H]([NH2+]Cc1ccccc1C[N@@H+]1CCC[C@H]1CO)[C@H]1CC1(F)F ZINC000638972617 430485542 /nfs/dbraw/zinc/48/55/42/430485542.db2.gz VRMUZLRAEOHROX-RRQGHBQHSA-N 2 0 324.415 2.777 20 0 DFADRP CC(C)CC1(C(=O)Nc2cc(N3CC[NH2+]CC3)cc[nH+]2)CCC1 ZINC000638986512 430488108 /nfs/dbraw/zinc/48/81/08/430488108.db2.gz RFVHHZHLVAMDPI-UHFFFAOYSA-N 2 0 316.449 2.646 20 0 DFADRP C[N@H+](CCC(=O)N1CCC2(CCC[NH+]2C)CC1)C1CCCCC1 ZINC000548720428 430494668 /nfs/dbraw/zinc/49/46/68/430494668.db2.gz DQORSNABJBXSSB-UHFFFAOYSA-N 2 0 321.509 2.728 20 0 DFADRP O=C(NC[C@@H]1CC[N@@H+]1C1CCCCC1)[C@@H]1CC[NH+]1C1CCCC1 ZINC000636253717 430496116 /nfs/dbraw/zinc/49/61/16/430496116.db2.gz ONBSACBVHRDOCY-ROUUACIJSA-N 2 0 319.493 2.527 20 0 DFADRP CC(C)[NH+]1CCN(CCC[N@@H+]2CCC[C@@H]2c2ccccn2)CC1 ZINC000548776843 430500828 /nfs/dbraw/zinc/50/08/28/430500828.db2.gz LIIMHZLSQYFXHI-LJQANCHMSA-N 2 0 316.493 2.635 20 0 DFADRP CCc1[nH+]c2ccccc2c(N2CCO[C@H](C[NH+](C)C)C2)c1C ZINC000548782028 430501457 /nfs/dbraw/zinc/50/14/57/430501457.db2.gz XPMKJVPDPGXNAW-OAHLLOKOSA-N 2 0 313.445 2.872 20 0 DFADRP O[C@@H](C[NH2+]C1CC[NH+](C2CCCC2)CC1)Cc1ccc(F)cc1 ZINC000569960995 430501558 /nfs/dbraw/zinc/50/15/58/430501558.db2.gz VLCHQHSJYOUJHN-LJQANCHMSA-N 2 0 320.452 2.726 20 0 DFADRP CCCN(C[C@@H](O)C[N@H+](C)CC)[C@H](C)c1ccccc1OC ZINC000570408130 430540945 /nfs/dbraw/zinc/54/09/45/430540945.db2.gz WXOHHYLJAPKTEQ-CVEARBPZSA-N 2 0 308.466 2.781 20 0 DFADRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+][C@@H](C)[C@@H]1CC2CCC1CC2 ZINC000639057494 430504885 /nfs/dbraw/zinc/50/48/85/430504885.db2.gz RCGXZARANMZNTR-JLBOEEDFSA-N 2 0 307.526 2.817 20 0 DFADRP CC[C@@H](C(=O)N1CC[C@H](C[NH3+])c2ccccc21)[NH+](CC)CC ZINC000639068621 430510410 /nfs/dbraw/zinc/51/04/10/430510410.db2.gz YDZCXQATDLJTSZ-ZBFHGGJFSA-N 2 0 303.450 2.586 20 0 DFADRP [NH3+]C[C@@H]1CCN(C(=O)C[C@@H]([NH3+])c2ccccc2)c2ccccc21 ZINC000639067650 430510818 /nfs/dbraw/zinc/51/08/18/430510818.db2.gz KFUYZQFCAHSULZ-DOTOQJQBSA-N 2 0 309.413 2.556 20 0 DFADRP Cn1cncc1CCC[N@H+](C)[C@H](CO)c1ccc(Cl)cc1 ZINC000570104543 430512882 /nfs/dbraw/zinc/51/28/82/430512882.db2.gz LJQOKVLOONCMGF-MRXNPFEDSA-N 2 0 307.825 2.672 20 0 DFADRP CCC[C@H](C[N@@H+]1CC[C@H](CN(C)Cc2cccnc2)C1)OC ZINC000639080641 430513606 /nfs/dbraw/zinc/51/36/06/430513606.db2.gz MMXABZYDRATYSP-QZTJIDSGSA-N 2 0 305.466 2.650 20 0 DFADRP CC[C@H](C)[C@@H](C[N@@H+]1CC[C@H](CN(C)Cc2cccnc2)C1)OC ZINC000639080341 430514846 /nfs/dbraw/zinc/51/48/46/430514846.db2.gz LGJLKGHOBFJTGJ-QXAKKESOSA-N 2 0 319.493 2.896 20 0 DFADRP COc1cc(C[C@H](C)[NH2+]CC(C)(C)C[NH+]2CCCC2)ccn1 ZINC000639102344 430525165 /nfs/dbraw/zinc/52/51/65/430525165.db2.gz KCNKNUZMFSEGPE-HNNXBMFYSA-N 2 0 305.466 2.733 20 0 DFADRP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+]C[C@]1(O)CCCC1(C)C ZINC000549854323 430532774 /nfs/dbraw/zinc/53/27/74/430532774.db2.gz JCQCCYOWSFUGFG-GOSISDBHSA-N 2 0 314.433 2.607 20 0 DFADRP C[N@H+](CCC[NH+]1CCCC1)C[C@@H]1CCN(c2ccccc2)C1 ZINC000639131973 430537805 /nfs/dbraw/zinc/53/78/05/430537805.db2.gz CINOTZTVOGPDIM-SFHVURJKSA-N 2 0 301.478 2.931 20 0 DFADRP COc1ccc(COCC[N@@H+]2CCCC[C@@H]2[C@H]2CC[NH2+]C2)cc1 ZINC000643064218 430547735 /nfs/dbraw/zinc/54/77/35/430547735.db2.gz XLPGSNNYAFOHBL-PKOBYXMFSA-N 2 0 318.461 2.676 20 0 DFADRP CC[N@H+](C)C[C@H](O)CN(CCC(F)(F)F)Cc1ccccc1 ZINC000570525234 430551257 /nfs/dbraw/zinc/55/12/57/430551257.db2.gz GIMDWNFKQGWLER-HNNXBMFYSA-N 2 0 318.383 2.754 20 0 DFADRP C[NH+]1CCC([C@@H]2CC[N@H+](Cc3ccnn3CC3CCC3)C2)CC1 ZINC000639176798 430556426 /nfs/dbraw/zinc/55/64/26/430556426.db2.gz LAEHOYABIMKXPO-GOSISDBHSA-N 2 0 316.493 2.847 20 0 DFADRP C[C@@]1([NH2+]Cc2c[nH]c3ncncc23)CCN(Cc2ccccc2)C1 ZINC000639297501 430601603 /nfs/dbraw/zinc/60/16/03/430601603.db2.gz XBPNJNQOVIGFOW-LJQANCHMSA-N 2 0 321.428 2.664 20 0 DFADRP COc1cc(C[C@H](C)[NH2+]CCCCC[NH+]2CCCC2)ccn1 ZINC000639211526 430574802 /nfs/dbraw/zinc/57/48/02/430574802.db2.gz UVXKZXVBFBHKJR-INIZCTEOSA-N 2 0 305.466 2.877 20 0 DFADRP COc1cccc2c1OC[C@H]([NH2+][C@@H]1C[C@@H]([NH3+])c3ccccc31)C2 ZINC000643451954 430601611 /nfs/dbraw/zinc/60/16/11/430601611.db2.gz CVVWAMSBXZUXSA-KBRIMQKVSA-N 2 0 310.397 2.733 20 0 DFADRP CCCCN(CCCC)C(=O)C[NH+]1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000570803133 430578197 /nfs/dbraw/zinc/57/81/97/430578197.db2.gz HAMURSSYVCHIAW-GOSISDBHSA-N 2 0 323.525 2.737 20 0 DFADRP CCCCN(CCCC)C(=O)C[NH+]1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000570803134 430578672 /nfs/dbraw/zinc/57/86/72/430578672.db2.gz HAMURSSYVCHIAW-SFHVURJKSA-N 2 0 323.525 2.737 20 0 DFADRP COc1ccc(C[C@H](C)[NH2+]C[C@@H]2CCC[N@H+](C)C2)c(C)c1OC ZINC000552044964 430581769 /nfs/dbraw/zinc/58/17/69/430581769.db2.gz TTWVFGNAPLNTMT-HOCLYGCPSA-N 2 0 320.477 2.875 20 0 DFADRP CC[NH+](CC)Cc1ccc(C(=O)N2CC[N@H+](C)C(C)(C)C2)cc1 ZINC000552039266 430581951 /nfs/dbraw/zinc/58/19/51/430581951.db2.gz YQWJAQMGWOJDOG-UHFFFAOYSA-N 2 0 317.477 2.695 20 0 DFADRP CC(C)C[N@@H+]1CCCC[C@@H]1CN[C@@H]1CC[NH+](C)[C@H]2CCC[C@H]21 ZINC000552062657 430582575 /nfs/dbraw/zinc/58/25/75/430582575.db2.gz CGDHHUSETGNKCB-HCXYKTFWSA-N 2 0 307.526 2.959 20 0 DFADRP COc1ccc2c(c1)[C@@H]([NH2+][C@@H]1CC[N@H+](C)[C@H]3CCC[C@@H]31)CCO2 ZINC000552065203 430583688 /nfs/dbraw/zinc/58/36/88/430583688.db2.gz JTEUCXXDNVCZRE-BGTYHANMSA-N 2 0 316.445 2.981 20 0 DFADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]C[C@@H]1CCN(c2ccc(F)c(F)c2)C1 ZINC000643453261 430601998 /nfs/dbraw/zinc/60/19/98/430601998.db2.gz VAGZKVXZVSEBKO-DEYYWGMASA-N 2 0 323.431 2.898 20 0 DFADRP C[C@H]([NH2+]C[C@@H]1CCN(c2ccc(F)c(F)c2)C1)[C@@H]1CCC[NH2+]1 ZINC000643453190 430602027 /nfs/dbraw/zinc/60/20/27/430602027.db2.gz MREOKYKEGOUSSR-DCGLDWPTSA-N 2 0 309.404 2.521 20 0 DFADRP C[C@@H](CCCc1cccnc1)[NH2+]C1CC[NH+](CC(C)(C)O)CC1 ZINC000639256361 430589332 /nfs/dbraw/zinc/58/93/32/430589332.db2.gz HHXXVDVNSOMXJV-INIZCTEOSA-N 2 0 319.493 2.618 20 0 DFADRP Cc1cc(NCC(C)(C)[NH+]2CCOCC2)ccc1C[NH+](C)C ZINC000639259144 430590434 /nfs/dbraw/zinc/59/04/34/430590434.db2.gz RYRWMUQEJUBBRU-UHFFFAOYSA-N 2 0 305.466 2.579 20 0 DFADRP C[C@@H]1CCC[C@](CN[C@@H]2CC[N@H+](C)[C@@H]3CCC[C@@H]32)([NH+](C)C)C1 ZINC000552223293 430590741 /nfs/dbraw/zinc/59/07/41/430590741.db2.gz MMNAGPYQIJMRFD-NNIGNNQHSA-N 2 0 307.526 2.959 20 0 DFADRP CC[N@H+](Cc1ccc(C(=O)N2CC[C@H]([NH3+])C[C@H]2C)cc1)C(C)C ZINC000570938326 430591164 /nfs/dbraw/zinc/59/11/64/430591164.db2.gz VPGNHBUCYCDXBD-QAPCUYQASA-N 2 0 317.477 2.869 20 0 DFADRP C=C/C(C)=C\CC(=O)N1CCCN(C2CC[NH+](CC)CC2)CC1 ZINC000643362404 430592015 /nfs/dbraw/zinc/59/20/15/430592015.db2.gz OPQLVUNSOVNUOD-IDUWFGFVSA-N 2 0 319.493 2.527 20 0 DFADRP CN1CC[C@@H](C[NH2+]CC(C)(C)O)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000570956091 430592098 /nfs/dbraw/zinc/59/20/98/430592098.db2.gz RZNBGTCHXMZDII-WFASDCNBSA-N 2 0 314.832 2.832 20 0 DFADRP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]C[C@@H]1CCN(c2ccc(F)c(F)c2)C1 ZINC000643453173 430602413 /nfs/dbraw/zinc/60/24/13/430602413.db2.gz LTZXPIMNOOHGKV-DCGLDWPTSA-N 2 0 309.404 2.508 20 0 DFADRP C[C@@H]([NH2+]C[C@@H]1CCN(c2ccc(F)c(F)c2)C1)[C@@H]1CCC[NH2+]1 ZINC000643453192 430602629 /nfs/dbraw/zinc/60/26/29/430602629.db2.gz MREOKYKEGOUSSR-IGCXYCKISA-N 2 0 309.404 2.521 20 0 DFADRP COc1ccc2[nH]cc(CC[NH2+][C@H](C)[C@H]3CCCC[NH2+]3)c2c1 ZINC000643453657 430603010 /nfs/dbraw/zinc/60/30/10/430603010.db2.gz PWYKEMIXEOYVPD-CXAGYDPISA-N 2 0 301.434 2.839 20 0 DFADRP C[C@H]([NH3+])[C@@H]1COCC[C@H]1[NH2+]CCc1ccc(C(F)(F)F)cc1 ZINC000643456668 430603095 /nfs/dbraw/zinc/60/30/95/430603095.db2.gz VTTGOPBGSRTEAA-TUKIKUTGSA-N 2 0 316.367 2.590 20 0 DFADRP [NH3+][C@@H]1CCC[C@@H]1[NH2+][C@@H]1CCN(c2ccc(C(F)(F)F)cc2)C1 ZINC000643455571 430603118 /nfs/dbraw/zinc/60/31/18/430603118.db2.gz XIHUPNOTTKFBKT-YUELXQCFSA-N 2 0 313.367 2.754 20 0 DFADRP O[C@@H]1CC[N@H+](Cc2ccc(C[NH2+]C[C@@H]3CC[C@@H]4C[C@@H]4C3)cc2)C1 ZINC000639307752 430604474 /nfs/dbraw/zinc/60/44/74/430604474.db2.gz GYADUEQSMVUVKS-YSTOQKLRSA-N 2 0 314.473 2.779 20 0 DFADRP CCOCCOCc1cccc(C[NH2+][C@@H](C)[C@H]2CCC[NH2+]C2)c1 ZINC000643461464 430604712 /nfs/dbraw/zinc/60/47/12/430604712.db2.gz BKBOPVVQDIUBOR-LPHOPBHVSA-N 2 0 320.477 2.717 20 0 DFADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+][C@@H](CO)[C@@H](C)c1ccccc1 ZINC000643474435 430606571 /nfs/dbraw/zinc/60/65/71/430606571.db2.gz LVBDLPMLRXLVRO-RFUYNDQBSA-N 2 0 313.445 2.664 20 0 DFADRP OCc1ccc(CC[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)cc1 ZINC000643478188 430607651 /nfs/dbraw/zinc/60/76/51/430607651.db2.gz BCLKZDJJKNKDSK-GBESFXJTSA-N 2 0 302.462 2.622 20 0 DFADRP CC[NH+](CC)[C@@H](CNC(=O)C[N@@H+]1CC[C@H](C)C1)c1ccccc1 ZINC000553177852 430610949 /nfs/dbraw/zinc/61/09/49/430610949.db2.gz SODROYCBFTWMAN-WMZOPIPTSA-N 2 0 317.477 2.528 20 0 DFADRP C[C@H]([NH2+]C[C@H]1CC[C@H](C[NH3+])CC1)c1ccc2[nH]c(=O)oc2c1 ZINC000643532497 430612527 /nfs/dbraw/zinc/61/25/27/430612527.db2.gz LOFYYDWFQXUMKE-AVGNSLFASA-N 2 0 303.406 2.949 20 0 DFADRP C[C@H]([NH2+][C@H]1CC[NH2+]C[C@@H]1C)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000643524899 430612548 /nfs/dbraw/zinc/61/25/48/430612548.db2.gz WGJUGVAACAQRFY-HUBLWGQQSA-N 2 0 301.434 2.565 20 0 DFADRP C[C@@H](Cc1ccccc1)[NH+]1CCC(N[C@H]2CCC[NH2+]CC2)CC1 ZINC000643522970 430612823 /nfs/dbraw/zinc/61/28/23/430612823.db2.gz RBOSNZDEGOCNQD-HKUYNNGSSA-N 2 0 315.505 2.814 20 0 DFADRP CC(C)(C)[NH+]1CCC([NH2+][C@H]2CCC[C@H](N3CCCC3=O)C2)CC1 ZINC000571225785 430614021 /nfs/dbraw/zinc/61/40/21/430614021.db2.gz BEKPDEJGGVCFCO-IRXDYDNUSA-N 2 0 321.509 2.773 20 0 DFADRP COC[C@H]([NH2+][C@@H]1CC12CC[NH2+]CC2)c1cccc(Cl)c1F ZINC000643535275 430614296 /nfs/dbraw/zinc/61/42/96/430614296.db2.gz ALYYNNRKANZSRS-UONOGXRCSA-N 2 0 312.816 2.898 20 0 DFADRP Cc1noc(C2CCC([NH2+][C@H]3CC[NH2+]C4(CCC4)C3)CC2)n1 ZINC000643548533 430615532 /nfs/dbraw/zinc/61/55/32/430615532.db2.gz QNHOLMVWEABFFI-NRXISQOPSA-N 2 0 304.438 2.669 20 0 DFADRP C[C@H]([NH2+][C@@H]1CC[NH2+]C2(CCC2)C1)c1ccc2c(c1)CCC(=O)N2 ZINC000643546632 430615934 /nfs/dbraw/zinc/61/59/34/430615934.db2.gz RZLNDRHFUCUKAW-XJKSGUPXSA-N 2 0 313.445 2.897 20 0 DFADRP C[N@@H+]1CCCC[C@@H](CNCc2ccccc2OCCCCO)C1 ZINC000639346575 430617555 /nfs/dbraw/zinc/61/75/55/430617555.db2.gz GPIZWJBYFMVAPU-KRWDZBQOSA-N 2 0 320.477 2.659 20 0 DFADRP C[N@@H+]1CCCC[C@H](C[NH2+]C[C@H]2CCN(c3ccccc3)C2)C1 ZINC000639345908 430617604 /nfs/dbraw/zinc/61/76/04/430617604.db2.gz CLJPEEFZJXYGJD-QZTJIDSGSA-N 2 0 301.478 2.834 20 0 DFADRP Cc1cccc(CC[C@H](C)[NH2+][C@@H]2CCC[C@@H]2N2CC[C@@H](O)C2)c1 ZINC000639369961 430622348 /nfs/dbraw/zinc/62/23/48/430622348.db2.gz BIAANROWDONBHE-NBYUQASBSA-N 2 0 316.489 2.893 20 0 DFADRP C[C@@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)CC[N@H+](C)C1CCCCC1 ZINC000553777262 430622596 /nfs/dbraw/zinc/62/25/96/430622596.db2.gz YVZJCJPJYYDQBO-SJLPKXTDSA-N 2 0 321.509 2.726 20 0 DFADRP O[C@@H]1CCN([C@@H]2CCC[C@@H]2[NH2+]Cc2cc3ccccc3o2)C1 ZINC000639370535 430622962 /nfs/dbraw/zinc/62/29/62/430622962.db2.gz NZYHMABRNFTXIH-HYVNUMGLSA-N 2 0 300.402 2.510 20 0 DFADRP O[C@@H]1CCN([C@@H]2CCC[C@@H]2[NH2+]C2CCc3ccccc3CC2)C1 ZINC000639373279 430624823 /nfs/dbraw/zinc/62/48/23/430624823.db2.gz POOSDKBFVUEHBH-HSALFYBXSA-N 2 0 314.473 2.511 20 0 DFADRP CCC1([NH+]2CCCC2)CC[NH+](C[C@@H](OC)C2CCOCC2)CC1 ZINC000639375751 430626209 /nfs/dbraw/zinc/62/62/09/430626209.db2.gz CWUPNHBUARRJNH-GOSISDBHSA-N 2 0 324.509 2.768 20 0 DFADRP CC(C)[C@H](CO)C[NH2+][C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000554095008 430628315 /nfs/dbraw/zinc/62/83/15/430628315.db2.gz ASSJIYBFUPLCMD-VNTMZGSJSA-N 2 0 316.489 2.751 20 0 DFADRP C[C@@H]([NH2+]C(C)(C)CNC(=O)C[N@@H+]1CC[C@H](C)C1)c1ccccc1 ZINC000571461817 430629229 /nfs/dbraw/zinc/62/92/29/430629229.db2.gz JBZMWLCWRFFLLQ-JKSUJKDBSA-N 2 0 317.477 2.574 20 0 DFADRP CC(C)[C@H](CO)C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000554096972 430629740 /nfs/dbraw/zinc/62/97/40/430629740.db2.gz SXQKNAXRBNLPNY-YTQUADARSA-N 2 0 304.478 2.751 20 0 DFADRP CC(C)[N@@H+]1CCCC[C@H]1C(=O)N1CCC[NH+](CC2CCC2)CC1 ZINC000571620749 430641171 /nfs/dbraw/zinc/64/11/71/430641171.db2.gz OMNLBMZENCKAJN-SFHVURJKSA-N 2 0 321.509 2.584 20 0 DFADRP CC1(C)C[NH2+]CC[C@@H]1[NH2+]Cc1ccc(Oc2cnccn2)cc1 ZINC000572009651 430667578 /nfs/dbraw/zinc/66/75/78/430667578.db2.gz QXKKKPMNWACYGU-INIZCTEOSA-N 2 0 312.417 2.747 20 0 DFADRP C[C@H]([NH2+]C[C@H](c1ccccc1)C(C)(C)CO)[C@@H]1CCC[NH2+]C1 ZINC000572111563 430672260 /nfs/dbraw/zinc/67/22/60/430672260.db2.gz DPBJGGJGRJACFD-CGTJXYLNSA-N 2 0 304.478 2.766 20 0 DFADRP CC[NH+](CC)CCCC1CC[NH+](CCc2cnccn2)CC1 ZINC000639575445 430674453 /nfs/dbraw/zinc/67/44/53/430674453.db2.gz CRVDKHORDOHZMB-UHFFFAOYSA-N 2 0 304.482 2.853 20 0 DFADRP C[C@H]([NH2+]CCNc1ncc(Cl)cc1Cl)[C@H]1CCC[NH2+]C1 ZINC000572234309 430677285 /nfs/dbraw/zinc/67/72/85/430677285.db2.gz RCNLGRSWCHFOAJ-QWRGUYRKSA-N 2 0 317.264 2.778 20 0 DFADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1cc[nH]c(=O)c1 ZINC000639589032 430677633 /nfs/dbraw/zinc/67/76/33/430677633.db2.gz IKYWQAYSAAJNFV-CRAIPNDOSA-N 2 0 311.429 2.787 20 0 DFADRP COC[C@@H](Cc1ccccc1)[N@H+](C)CCCc1cncn1C ZINC000572254754 430678636 /nfs/dbraw/zinc/67/86/36/430678636.db2.gz YHORUXZWEKYKMR-GOSISDBHSA-N 2 0 301.434 2.542 20 0 DFADRP [NH3+][C@H](CCC(=O)N(C1CC1)C1CC[NH2+]CC1)CC1CCCCC1 ZINC000644095931 430662394 /nfs/dbraw/zinc/66/23/94/430662394.db2.gz LJRWNNVVQPQDLH-MRXNPFEDSA-N 2 0 321.509 2.807 20 0 DFADRP CC(C)C[N@@H+]1CCC[C@@H]1C[NH2+]CCC(=O)Nc1ccccc1 ZINC000572512354 430688861 /nfs/dbraw/zinc/68/88/61/430688861.db2.gz PZRUCMQRCKMNSM-QGZVFWFLSA-N 2 0 303.450 2.725 20 0 DFADRP C[C@H](CC[S@](C)=O)[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000358407284 278175665 /nfs/dbraw/zinc/17/56/65/278175665.db2.gz TZNOBQUUQCPCCT-VLIAUNLRSA-N 2 0 300.512 2.530 20 0 DFADRP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@@H]1C[C@H](c2ccccc2)C1(C)C ZINC000123204771 278191800 /nfs/dbraw/zinc/19/18/00/278191800.db2.gz MYQUALXTNWOYHQ-BHIYHBOVSA-N 2 0 315.505 2.794 20 0 DFADRP C[C@H](CNC(=O)[C@@H](C)[C@H]([NH3+])c1ccccc1)C[NH+]1CCCCC1 ZINC000261851154 278204737 /nfs/dbraw/zinc/20/47/37/278204737.db2.gz ZYYWFMIONKMLDV-RYRKJORJSA-N 2 0 317.477 2.561 20 0 DFADRP C[NH+](C)CCNC(=O)C1CC[NH+](C[C@@H]2CCCC(C)(C)C2)CC1 ZINC000556843126 430694807 /nfs/dbraw/zinc/69/48/07/430694807.db2.gz HQZAICLJVHNWIT-MRXNPFEDSA-N 2 0 323.525 2.593 20 0 DFADRP C[C@@H](C[NH2+][C@@H]1C[C@H](c2ccccc2)C1(C)C)N1CC[NH+](C)CC1 ZINC000123177725 278285905 /nfs/dbraw/zinc/28/59/05/278285905.db2.gz XJCGRNUQHNFQKY-QXAKKESOSA-N 2 0 315.505 2.794 20 0 DFADRP Cc1ccc2ccnc(N3CCC([N@@H+]4CC[C@H](O)C4)CC3)c2c1 ZINC000664598497 430702292 /nfs/dbraw/zinc/70/22/92/430702292.db2.gz VJTOXWNCRSHYMN-KRWDZBQOSA-N 2 0 311.429 2.579 20 0 DFADRP c1cc(C[NH2+]C2CCN([C@@H]3CCOC3)CC2)cc(C2CC2)c1 ZINC000657752823 430725281 /nfs/dbraw/zinc/72/52/81/430725281.db2.gz SDBJUNPEZQNSKI-LJQANCHMSA-N 2 0 300.446 2.907 20 0 DFADRP C[C@@H](Cc1cnccn1)[NH2+]C[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000651210929 430737225 /nfs/dbraw/zinc/73/72/25/430737225.db2.gz ADTDTWGWXDDDHF-HKUYNNGSSA-N 2 0 324.472 2.909 20 0 DFADRP CC(C)[NH+]1CCC([NH2+]C[C@H](O)Cc2cccc(Cl)c2)CC1 ZINC000644513483 430740072 /nfs/dbraw/zinc/74/00/72/430740072.db2.gz PXZLLLLLEDBTDX-QGZVFWFLSA-N 2 0 310.869 2.706 20 0 DFADRP CC(C)[NH+]1CCN(CCC[N@@H+]2CC[C@@H]2c2ccc(F)cc2)CC1 ZINC000661507688 430741374 /nfs/dbraw/zinc/74/13/74/430741374.db2.gz ATAVPFMLWFQZSW-LJQANCHMSA-N 2 0 319.468 2.989 20 0 DFADRP O[C@H](C[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1)Cc1ccc2ccccc2c1 ZINC000644524039 430743532 /nfs/dbraw/zinc/74/35/32/430743532.db2.gz NAWQVCIIIRSMRM-HBMCJLEFSA-N 2 0 324.468 2.960 20 0 DFADRP Cn1cnc2cc(C[NH2+]CC3CC[NH+](CC4CC4)CC3)ccc21 ZINC000657813555 430743620 /nfs/dbraw/zinc/74/36/20/430743620.db2.gz RQBXXGHIWAONJK-UHFFFAOYSA-N 2 0 312.461 2.785 20 0 DFADRP c1cc(-c2ccc(C[NH2+]CC3CC[NH+](CC4CC4)CC3)o2)n[nH]1 ZINC000657813708 430744291 /nfs/dbraw/zinc/74/42/91/430744291.db2.gz YHWJWBGATCUFTH-UHFFFAOYSA-N 2 0 314.433 2.881 20 0 DFADRP CC(C)C[C@@H](CN(C)C)[NH2+]CCC(=O)Nc1ccccc1F ZINC000644528714 430744424 /nfs/dbraw/zinc/74/44/24/430744424.db2.gz RRYFARULPILJCQ-AWEZNQCLSA-N 2 0 309.429 2.720 20 0 DFADRP CN(C)c1ccccc1C[NH2+]CC1CC[NH+](CC2CC2)CC1 ZINC000657812803 430744627 /nfs/dbraw/zinc/74/46/27/430744627.db2.gz FHNSOBQGATVLHS-UHFFFAOYSA-N 2 0 301.478 2.964 20 0 DFADRP C[C@H](NCCC[NH+]1CCC(O)CC1)c1ccc(C(F)F)nc1 ZINC000657845956 430752186 /nfs/dbraw/zinc/75/21/86/430752186.db2.gz MJBHXUJCIUTSJL-LBPRGKRZSA-N 2 0 313.392 2.517 20 0 DFADRP C[C@H]([NH2+][C@H]1CCN(c2ccccc2F)C1)C1CC[NH+](C)CC1 ZINC000644558349 430752447 /nfs/dbraw/zinc/75/24/47/430752447.db2.gz RVTSFWPGBXZTDK-HOCLYGCPSA-N 2 0 305.441 2.724 20 0 DFADRP CCC[NH+]1CCC(C[NH2+][C@@H](COC)CC2CCOCC2)CC1 ZINC000657869880 430757587 /nfs/dbraw/zinc/75/75/87/430757587.db2.gz BHXBRQIRSYNUSR-GOSISDBHSA-N 2 0 312.498 2.530 20 0 DFADRP CC[NH+]1CCC(CC[NH2+]C[C@H](O)Cc2cccc(Cl)c2)CC1 ZINC000644576667 430758382 /nfs/dbraw/zinc/75/83/82/430758382.db2.gz SSWUHIVMDCSSII-GOSISDBHSA-N 2 0 324.896 2.955 20 0 DFADRP CC[NH+]1CCC(CC[NH2+]C[C@@H](O)[C@@H](C)c2ccccc2)CC1 ZINC000644576580 430758444 /nfs/dbraw/zinc/75/84/44/430758444.db2.gz AZRNORQHJPHZIC-QFBILLFUSA-N 2 0 304.478 2.863 20 0 DFADRP CC(C)Cc1ccc([C@H](C)[C@H](C)[NH2+]C[C@H](O)CN(C)C)cc1 ZINC000657875471 430759360 /nfs/dbraw/zinc/75/93/60/430759360.db2.gz KQBSNWRZXHQLCX-GJYPPUQNSA-N 2 0 306.494 2.889 20 0 DFADRP C[NH+](C)Cc1cc(C[NH2+][C@H]2CCCn3nccc32)ccc1F ZINC000657884164 430761323 /nfs/dbraw/zinc/76/13/23/430761323.db2.gz LLQNLYFCMJVFEV-INIZCTEOSA-N 2 0 302.397 2.709 20 0 DFADRP CN(C[C@@H](O)C[NH2+]C1CCC(C)(c2ccccc2)CC1)C1CC1 ZINC000644601972 430766806 /nfs/dbraw/zinc/76/68/06/430766806.db2.gz FOBCLPMYYJWAAZ-SYYJFZTOSA-N 2 0 316.489 2.932 20 0 DFADRP CC(C)[C@@H]1[N@H+](C[C@H](O)CN(C)Cc2ccccc2)CC12CCC2 ZINC000644608574 430767634 /nfs/dbraw/zinc/76/76/34/430767634.db2.gz OVETXTDTZGKMCT-MOPGFXCFSA-N 2 0 316.489 2.990 20 0 DFADRP C[N@@H+](Cc1ccc(C[NH+]2CCCCC2)cc1)C[C@H]1COCCO1 ZINC000661615336 430774927 /nfs/dbraw/zinc/77/49/27/430774927.db2.gz ZXOZDCKWNOGZAD-IBGZPJMESA-N 2 0 318.461 2.520 20 0 DFADRP CC[C@@H]1C[C@H]([NH2+]Cc2ccccc2CN2CCOCC2)CCO1 ZINC000648406081 430775150 /nfs/dbraw/zinc/77/51/50/430775150.db2.gz PEXCVUNQVOARIS-RTBURBONSA-N 2 0 318.461 2.566 20 0 DFADRP CN(C[C@H](O)C[NH2+][C@H]1C[C@H](c2ccccc2Cl)C1)C1CC1 ZINC000644654953 430780543 /nfs/dbraw/zinc/78/05/43/430780543.db2.gz BZCDFQSSXXQCBQ-UMVBOHGHSA-N 2 0 308.853 2.631 20 0 DFADRP Cc1nc([C@H](C)[NH2+][C@@H](C)CN(C)CCC[NH+](C)C)c(C)s1 ZINC000658106178 430813534 /nfs/dbraw/zinc/81/35/34/430813534.db2.gz GJCIROIITGOLLK-STQMWFEESA-N 2 0 312.527 2.683 20 0 DFADRP C[C@@H](CN(C)CCC[NH+](C)C)[NH2+][C@@H]1CCCc2c(O)cccc21 ZINC000658108733 430814228 /nfs/dbraw/zinc/81/42/28/430814228.db2.gz RISUIDLSCXGCRZ-MAUKXSAKSA-N 2 0 319.493 2.631 20 0 DFADRP C[C@@H](CN(C)CCC[NH+](C)C)[NH2+][C@H]1CCc2cc(F)ccc21 ZINC000658109683 430814658 /nfs/dbraw/zinc/81/46/58/430814658.db2.gz URDXDSIYNPGIQA-KSSFIOAISA-N 2 0 307.457 2.675 20 0 DFADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]CCc2cnccc2C)[C@@H](C)C1 ZINC000658126453 430818791 /nfs/dbraw/zinc/81/87/91/430818791.db2.gz MGMQKKLNQPEOIF-HKUYNNGSSA-N 2 0 319.493 2.659 20 0 DFADRP O[C@@H]1CC[N@H+](Cc2ccc(C[NH2+][C@H]3CCCC34CC4)cc2)C1 ZINC000658139299 430823776 /nfs/dbraw/zinc/82/37/76/430823776.db2.gz QNARDTOKSQPNMJ-MSOLQXFVSA-N 2 0 300.446 2.676 20 0 DFADRP O[C@@H]1CC[N@H+](Cc2ccc(C[NH2+][C@@H](C3CC3)C3CCC3)cc2)C1 ZINC000658139848 430824324 /nfs/dbraw/zinc/82/43/24/430824324.db2.gz TTWZTYNXAZIKJQ-WOJBJXKFSA-N 2 0 314.473 2.922 20 0 DFADRP c1cc(C[NH+]2CCC(C[NH2+][C@H]3COC4(CCC4)C3)CC2)ccn1 ZINC000658162095 430831384 /nfs/dbraw/zinc/83/13/84/430831384.db2.gz BQNMCBDDNBOOGM-GOSISDBHSA-N 2 0 315.461 2.595 20 0 DFADRP CC[C@@H]([NH2+]CC1CC[NH+](Cc2ccncc2)CC1)[C@@H]1CCOC1 ZINC000658166791 430834343 /nfs/dbraw/zinc/83/43/43/430834343.db2.gz OVIDCAHKMWPPRP-RTBURBONSA-N 2 0 317.477 2.698 20 0 DFADRP C[C@@H](COc1c(F)cccc1F)[NH2+][C@H]1CN(C2CC2)C[C@H]1C ZINC000658178612 430835867 /nfs/dbraw/zinc/83/58/67/430835867.db2.gz OICUILMSYSRHIU-WQGACYEGSA-N 2 0 310.388 2.804 20 0 DFADRP CC[C@H]1C[C@H]([NH2+]CCc2ccc(OCC[NH+](C)C)cc2)CCO1 ZINC000648446905 430790578 /nfs/dbraw/zinc/79/05/78/430790578.db2.gz IBNUHSLMCRONIU-MSOLQXFVSA-N 2 0 320.477 2.717 20 0 DFADRP C[N@@H+]1C[C@@H](C[NH2+][C@H]2COC3(CCC3)C2)[C@H](c2ccccc2)C1 ZINC000658041625 430792189 /nfs/dbraw/zinc/79/21/89/430792189.db2.gz DUPCZJBYNHDYDL-KURKYZTESA-N 2 0 300.446 2.633 20 0 DFADRP Cc1ccncc1[C@@H](C)[NH2+]CC1CC[NH+](C2CCOCC2)CC1 ZINC000658067656 430797344 /nfs/dbraw/zinc/79/73/44/430797344.db2.gz OTGBJBZARABFDZ-MRXNPFEDSA-N 2 0 317.477 2.932 20 0 DFADRP Cc1nc([C@H](C)[NH2+]CC2CC[NH+](C3CCOCC3)CC2)cs1 ZINC000658066579 430798373 /nfs/dbraw/zinc/79/83/73/430798373.db2.gz BZSISVOHRSHTNA-ZDUSSCGKSA-N 2 0 323.506 2.993 20 0 DFADRP C[N@@H+]1CC[C@H]([NH2+]C2CCC(OC(F)F)CC2)[C@@H]2CCC[C@H]21 ZINC000651467930 430802581 /nfs/dbraw/zinc/80/25/81/430802581.db2.gz NFSXALQIQNOEOJ-QXRZNBQRSA-N 2 0 302.409 2.999 20 0 DFADRP CC[C@H]1C[C@H]([NH2+]CC2CCN(c3cc[nH+]cc3)CC2)CCO1 ZINC000648494060 430806571 /nfs/dbraw/zinc/80/65/71/430806571.db2.gz PEJMXLCGXCBXFH-AEFFLSMTSA-N 2 0 303.450 2.845 20 0 DFADRP Cn1cc(C[C@H]2CCC[C@H]2[NH2+]C2CC[NH+](CC3CC3)CC2)cn1 ZINC000658231702 430846256 /nfs/dbraw/zinc/84/62/56/430846256.db2.gz CKPHOQFRRKQQCF-IEBWSBKVSA-N 2 0 316.493 2.595 20 0 DFADRP CCC[NH+]1CCC([NH2+][C@@H]2CCC[C@H]2Cc2cnn(C)c2)CC1 ZINC000658236032 430847124 /nfs/dbraw/zinc/84/71/24/430847124.db2.gz RECOKWKZPKCDJP-FUHWJXTLSA-N 2 0 304.482 2.595 20 0 DFADRP CCC[NH+]1CCC([NH2+][C@H]2CCC[C@@H]2Cc2cnn(C)c2)CC1 ZINC000658236031 430847922 /nfs/dbraw/zinc/84/79/22/430847922.db2.gz RECOKWKZPKCDJP-AEFFLSMTSA-N 2 0 304.482 2.595 20 0 DFADRP C[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+][C@@H]2C[C@@H](O)C23CCC3)CC1 ZINC000658252059 430853168 /nfs/dbraw/zinc/85/31/68/430853168.db2.gz IJDCJZVPJIKBFZ-BZZMCLGOSA-N 2 0 306.494 2.923 20 0 DFADRP C[C@H](CC(C)(C)O)[NH2+]Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000648715638 430866697 /nfs/dbraw/zinc/86/66/97/430866697.db2.gz ASXHFIWDWAMAEY-MRXNPFEDSA-N 2 0 320.477 2.800 20 0 DFADRP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+]CC1CC[NH+](Cc2ccncc2)CC1 ZINC000665240632 430867011 /nfs/dbraw/zinc/86/70/11/430867011.db2.gz PMNUWMQYJVLLJB-MOPGFXCFSA-N 3 0 316.493 2.543 20 0 DFADRP C[C@H](NCC1([NH3+])CCCC1)c1ccc(OCC[NH+](C)C)cc1 ZINC000665249766 430868410 /nfs/dbraw/zinc/86/84/10/430868410.db2.gz YTQCTAMTHCNITR-HNNXBMFYSA-N 2 0 305.466 2.549 20 0 DFADRP CCC[NH+]1CCC(N[C@@H]2C[NH2+]CC[C@@H]2c2cccc(F)c2)CC1 ZINC000665253484 430869830 /nfs/dbraw/zinc/86/98/30/430869830.db2.gz SCXDHKHOWWVFRB-RTBURBONSA-N 2 0 319.468 2.735 20 0 DFADRP CNC(=O)CC1(C[NH2+][C@@H]2CC[N@H+](C)[C@H]3CCC[C@H]32)CCCCC1 ZINC000658307564 430872102 /nfs/dbraw/zinc/87/21/02/430872102.db2.gz LLSHMSCKATWIJA-BBWFWOEESA-N 2 0 321.509 2.535 20 0 DFADRP CC[C@@H]([NH2+]CC1(CC(=O)NC)CCCCC1)[C@H]1CCCC[NH2+]1 ZINC000665274983 430878564 /nfs/dbraw/zinc/87/85/64/430878564.db2.gz ADTCTFJKOLLRQA-HZPDHXFCSA-N 2 0 309.498 2.583 20 0 DFADRP c1ccc2c(CC[NH2+][C@@H]3CC[C@H]4C[NH2+]C[C@@H]4C3)nsc2c1 ZINC000665275755 430878597 /nfs/dbraw/zinc/87/85/97/430878597.db2.gz QYGPWQYMCLCPES-MELADBBJSA-N 2 0 301.459 2.817 20 0 DFADRP FC1(F)CC12CCC([NH2+][C@@H]1CCOC[C@H]1[C@H]1CCC[NH2+]1)CC2 ZINC000665273803 430879193 /nfs/dbraw/zinc/87/91/93/430879193.db2.gz DMNLOEDFDHMTFE-ZMUBYXEMSA-N 2 0 314.420 2.701 20 0 DFADRP C[N@H+](Cc1ccccc1)C1CCC([NH2+]CC23CC(C2)C[NH2+]3)CC1 ZINC000665280302 430880574 /nfs/dbraw/zinc/88/05/74/430880574.db2.gz YBWNOAHXVCRPCE-UHFFFAOYSA-N 3 0 313.489 2.771 20 0 DFADRP C[C@H]([NH3+])C[C@H](C)[NH2+]Cc1cccc(COC[C@H]2CCCO2)c1 ZINC000665294197 430889583 /nfs/dbraw/zinc/88/95/83/430889583.db2.gz JYVBQVLMEGZQBC-RLFYNMQTSA-N 2 0 306.450 2.598 20 0 DFADRP c1ccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@H](NCC24CC(C2)C[NH2+]4)C3)cc1 ZINC000665278343 430881576 /nfs/dbraw/zinc/88/15/76/430881576.db2.gz BPOOERVBMTUCAL-JHNJKDCUSA-N 2 0 311.473 2.524 20 0 DFADRP CC[C@H]([NH2+]C1CCN(C(=O)CCC[NH2+]C)CC1)c1cccs1 ZINC000665285161 430883024 /nfs/dbraw/zinc/88/30/24/430883024.db2.gz FIATZBCLHYYYSC-HNNXBMFYSA-N 2 0 323.506 2.779 20 0 DFADRP Cn1cc2c(n1)CCC[C@@H]2[NH2+]CC1CC[NH+](CC2CC2)CC1 ZINC000658354086 430883536 /nfs/dbraw/zinc/88/35/36/430883536.db2.gz WSELAOLEVKNWBD-KRWDZBQOSA-N 2 0 302.466 2.509 20 0 DFADRP CCC[C@H](C)[C@@H](CC)[NH2+]C1CCN(C(=O)CCC[NH2+]C)CC1 ZINC000665287224 430885035 /nfs/dbraw/zinc/88/50/35/430885035.db2.gz FSPGUVMFPSDPFH-DOTOQJQBSA-N 2 0 311.514 2.781 20 0 DFADRP [NH3+][C@H]1CCC[C@@H]([NH2+][C@@H]2CCCC[C@H]2NC(=O)c2ccccc2)C1 ZINC000665289760 430885995 /nfs/dbraw/zinc/88/59/95/430885995.db2.gz WPDGSBXYGDIOEE-BSDSXHPESA-N 2 0 315.461 2.587 20 0 DFADRP c1nnn(-c2ccccc2)c1C[NH2+]CCCCC[NH+]1CCCC1 ZINC000651817337 430886171 /nfs/dbraw/zinc/88/61/71/430886171.db2.gz IGXRQUNUUITZCK-UHFFFAOYSA-N 2 0 313.449 2.623 20 0 DFADRP C[C@H](CCCC[NH3+])[NH2+][C@@H]1CCCC[C@H]1NC(=O)c1ccccc1 ZINC000665288892 430886457 /nfs/dbraw/zinc/88/64/57/430886457.db2.gz ADSGBPNDPQZDFV-KBAYOESNSA-N 2 0 317.477 2.835 20 0 DFADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@@H]2C[C@H](c3ccccc3)CO2)[C@@H](C)C1 ZINC000658205993 430841153 /nfs/dbraw/zinc/84/11/53/430841153.db2.gz GFJBAORYEQCZDP-WNHJNPCNSA-N 2 0 302.462 2.879 20 0 DFADRP CC(C)C[N@H+](C)CCC[NH2+][C@H](C)CC(=O)N(C)c1ccccc1 ZINC000651865881 430899706 /nfs/dbraw/zinc/89/97/06/430899706.db2.gz LFFXWPAOMPRDLD-QGZVFWFLSA-N 2 0 319.493 2.996 20 0 DFADRP C[NH+](C)CCOc1ccc(C[NH2+]CCC[C@H]2CCOC2)cc1 ZINC000648815686 430902322 /nfs/dbraw/zinc/90/23/22/430902322.db2.gz OFPSXMNBZKBNSI-KRWDZBQOSA-N 2 0 306.450 2.533 20 0 DFADRP CC[N@@H+]1CC[C@H]([NH2+][C@@H]2CCO[C@H](c3ccncc3)C2)[C@H](C)C1 ZINC000651966326 430928752 /nfs/dbraw/zinc/92/87/52/430928752.db2.gz DMRMPWOWBMJOSC-BGTYHANMSA-N 2 0 303.450 2.622 20 0 DFADRP OC[C@H](CCF)[NH2+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000652020150 430938479 /nfs/dbraw/zinc/93/84/79/430938479.db2.gz MJNZOLLHVRDHGX-YDZRNGNQSA-N 2 0 320.452 2.597 20 0 DFADRP O[C@H]1CC[N@@H+](C2CCN([C@@H]3CCCc4ccc(F)cc43)CC2)C1 ZINC000662154553 430979314 /nfs/dbraw/zinc/97/93/14/430979314.db2.gz XTJMIXYIIOMDKU-PKOBYXMFSA-N 2 0 318.436 2.734 20 0 DFADRP O[C@H]1CC[N@@H+](C2CCN(Cc3ccc(C4CCC4)cc3)CC2)C1 ZINC000662152375 430981707 /nfs/dbraw/zinc/98/17/07/430981707.db2.gz SSNLUQRPNCQLPZ-FQEVSTJZSA-N 2 0 314.473 2.985 20 0 DFADRP C[C@H]([NH3+])[C@@H]1CCC[N@H+](CCc2ccc3c(c2)OC(F)(F)O3)C1 ZINC000662244450 431012223 /nfs/dbraw/zinc/01/22/23/431012223.db2.gz GXDDKYJCPVOBKY-WCQYABFASA-N 2 0 312.360 2.610 20 0 DFADRP CC[C@H]([NH2+][C@H](C)CN1CC[NH+](C)CC1)c1cc(C)ccc1OC ZINC000093406113 288077382 /nfs/dbraw/zinc/07/73/82/288077382.db2.gz JIAHNHXBQVSQBR-AEFFLSMTSA-N 2 0 319.493 2.680 20 0 DFADRP CCCN(C(=O)CC[NH+](C)C1CCCCC1)[C@H]1CC[N@H+](C)C1 ZINC000648997152 430964734 /nfs/dbraw/zinc/96/47/34/430964734.db2.gz KATUJCPKDPLDJU-KRWDZBQOSA-N 2 0 309.498 2.584 20 0 DFADRP C[N@H+](CCC(=O)N[C@H]1CCC[NH+]2CCCC[C@@H]12)C1CCCCC1 ZINC000655349946 430970537 /nfs/dbraw/zinc/97/05/37/430970537.db2.gz MTXPIBLGKOWGLB-ROUUACIJSA-N 2 0 321.509 2.774 20 0 DFADRP COc1ccc(-c2cc(CN(C)[C@@H]3CCC[NH2+]CC3)on2)cc1 ZINC000662265469 431022752 /nfs/dbraw/zinc/02/27/52/431022752.db2.gz BQIVCBLBYRLAKV-OAHLLOKOSA-N 2 0 315.417 2.924 20 0 DFADRP Cn1ccnc1C[N@H+](CCC1CCC1)[C@H]1CC12CC[NH2+]CC2 ZINC000662270014 431024183 /nfs/dbraw/zinc/02/41/83/431024183.db2.gz KTMTYHWHWMDDCH-INIZCTEOSA-N 2 0 302.466 2.554 20 0 DFADRP c1cc2c(cc1C[N@@H+]1CCCC3(CCOCC3)C1)C[NH2+]CC2 ZINC000652338233 431025237 /nfs/dbraw/zinc/02/52/37/431025237.db2.gz NJIZKIUPNHNZSQ-UHFFFAOYSA-N 2 0 300.446 2.725 20 0 DFADRP Cc1nccn1[C@@H]1CCC[N@H+](Cc2ccc3c(c2)C[NH2+]CC3)C1 ZINC000652339343 431025366 /nfs/dbraw/zinc/02/53/66/431025366.db2.gz OODNPSYZMMEERO-LJQANCHMSA-N 2 0 310.445 2.674 20 0 DFADRP C[C@@H](C(=O)Nc1ccc(Cl)cc1)N1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000652350723 431026838 /nfs/dbraw/zinc/02/68/38/431026838.db2.gz BUEGZDMZGYBBOO-DCGLDWPTSA-N 2 0 321.852 2.728 20 0 DFADRP CC[N@H+](CCCNC(=O)C1([NH3+])CC2(CCC2)C1)C1CCCCC1 ZINC000659327584 431028318 /nfs/dbraw/zinc/02/83/18/431028318.db2.gz PZNLHSBMLNYGFV-UHFFFAOYSA-N 2 0 321.509 2.809 20 0 DFADRP Cc1ccc(NC(=O)[C@@H](C)N2C[C@@H]3CCC[C@]3(C[NH3+])C2)c(F)c1 ZINC000652351717 431028774 /nfs/dbraw/zinc/02/87/74/431028774.db2.gz QCYLEJNEZFXIFP-GLJUWKHASA-N 2 0 319.424 2.522 20 0 DFADRP CCc1nc2c(s1)[C@H]([N@H+](C)C[C@H]1CCC3(C[NH2+]C3)O1)CCC2 ZINC000662278280 431029510 /nfs/dbraw/zinc/02/95/10/431029510.db2.gz DPJVIZXFDMVZFC-TZMCWYRMSA-N 2 0 321.490 2.536 20 0 DFADRP c1ccc(C[C@H]2C[N@H+](Cc3cccc4c3CC[NH2+]C4)CCO2)cc1 ZINC000662277143 431030638 /nfs/dbraw/zinc/03/06/38/431030638.db2.gz OOTRCLWNWWSSID-FQEVSTJZSA-N 2 0 322.452 2.776 20 0 DFADRP CO[C@H](C[NH+]1CCC([C@H]2C[C@@H]([NH3+])CCO2)CC1)c1ccccc1 ZINC000662282101 431032281 /nfs/dbraw/zinc/03/22/81/431032281.db2.gz RSVMQMVJJSKPJM-IPMKNSEASA-N 2 0 318.461 2.592 20 0 DFADRP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCC[N@@H+]2CCCc2ccccc2)C1 ZINC000652360805 431032621 /nfs/dbraw/zinc/03/26/21/431032621.db2.gz QRZFRFYTZUXXRZ-QRVBRYPASA-N 2 0 302.462 2.980 20 0 DFADRP CO[C@H](C[NH+]1CCC([C@@H]2C[C@@H]([NH3+])CCO2)CC1)C1CCCCC1 ZINC000662280417 431033416 /nfs/dbraw/zinc/03/34/16/431033416.db2.gz DMEYTAGRAPHGQJ-GBESFXJTSA-N 2 0 324.509 2.800 20 0 DFADRP CC1(C)CCCC[C@H]1C[N@@H+]1CCC[C@H](n2cc(C[NH3+])nn2)C1 ZINC000662280080 431033493 /nfs/dbraw/zinc/03/34/93/431033493.db2.gz CFQJDJBJRFNDQL-HOCLYGCPSA-N 2 0 305.470 2.590 20 0 DFADRP CO[C@H](C[N@@H+]1CCCC[C@@H]1[C@H]1C[C@H]([NH3+])CCO1)c1ccccc1 ZINC000662285161 431034988 /nfs/dbraw/zinc/03/49/88/431034988.db2.gz YJEPTXIURBCANW-NCXUSEDFSA-N 2 0 318.461 2.735 20 0 DFADRP CCCCc1noc(C[N@@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)n1 ZINC000662295957 431038952 /nfs/dbraw/zinc/03/89/52/431038952.db2.gz JGLQIHCWYKWKJZ-HNNXBMFYSA-N 2 0 306.454 2.624 20 0 DFADRP Cn1cc(C[C@@H]2CCC[C@H]2[NH2+]CCCC2CC[NH2+]CC2)cn1 ZINC000662310695 431041557 /nfs/dbraw/zinc/04/15/57/431041557.db2.gz MKHWFOFRZBIRMK-ZWKOTPCHSA-N 2 0 304.482 2.501 20 0 DFADRP C[C@@H]1CCC[N@H+](CC(=O)N2[C@H](C)CCC[C@H]2C)[C@@H]1CCC[NH3+] ZINC000662313002 431041846 /nfs/dbraw/zinc/04/18/46/431041846.db2.gz DYIVRDGWQSPMJI-QBPKDAKJSA-N 2 0 309.498 2.615 20 0 DFADRP CC1(C)CO[C@@H](c2cccc(F)c2)C[N@@H+]1CC[C@H]1CC[NH2+]C1 ZINC000662310238 431042602 /nfs/dbraw/zinc/04/26/02/431042602.db2.gz IMWHYWHOXSWXFL-RHSMWYFYSA-N 2 0 306.425 2.977 20 0 DFADRP C[C@@H]1CCC[N@H+](CCC(=O)Nc2cccc(F)c2)[C@@H]1CCC[NH3+] ZINC000662313280 431043382 /nfs/dbraw/zinc/04/33/82/431043382.db2.gz JNAAHGIPUUPUDS-RHSMWYFYSA-N 2 0 321.440 2.994 20 0 DFADRP C[C@@H]1CCC[N@H+](Cc2nc(-c3ccco3)no2)[C@@H]1CCC[NH3+] ZINC000662313232 431044289 /nfs/dbraw/zinc/04/42/89/431044289.db2.gz HKIBAIWJOLXKRE-CHWSQXEVSA-N 2 0 304.394 2.669 20 0 DFADRP CC[C@H]1CCCCN1C(=O)C[N@@H+]1CCC[C@@H](C)[C@H]1CCC[NH3+] ZINC000662313338 431044779 /nfs/dbraw/zinc/04/47/79/431044779.db2.gz KMJLDNFBCUDSIG-IXDOHACOSA-N 2 0 309.498 2.617 20 0 DFADRP CN(CCC[N@@H+]1CCO[C@@H](CCC[NH+](C)C)C1)c1ccccc1 ZINC000662325303 431045718 /nfs/dbraw/zinc/04/57/18/431045718.db2.gz DPXLUPJVSBUGBG-IBGZPJMESA-N 2 0 319.493 2.556 20 0 DFADRP C[NH+](C)CCC[C@@H]1C[N@H+](C[C@@H]2C[C@H]2c2ccccc2)CCO1 ZINC000662324857 431045847 /nfs/dbraw/zinc/04/58/47/431045847.db2.gz ZIGLXGSDYJAWQA-OTWHNJEPSA-N 2 0 302.462 2.833 20 0 DFADRP CC[N@H+](CCOc1ccccc1OC)CC[C@@H]1CCC[NH2+]C1 ZINC000662324425 431046709 /nfs/dbraw/zinc/04/67/09/431046709.db2.gz XRXPHFYSKYNICH-INIZCTEOSA-N 2 0 306.450 2.786 20 0 DFADRP CO[C@@H](C[N@@H+]1CCO[C@@H](CCC[NH+](C)C)C1)C1CCCCC1 ZINC000662325912 431047079 /nfs/dbraw/zinc/04/70/79/431047079.db2.gz LDWVDNIOHLUOSP-ROUUACIJSA-N 2 0 312.498 2.624 20 0 DFADRP C[NH+](C)CCC[C@@H]1C[N@H+](CCc2ccc(Cl)cc2)CCO1 ZINC000662326356 431049622 /nfs/dbraw/zinc/04/96/22/431049622.db2.gz SCPGSMVLQCCKQT-QGZVFWFLSA-N 2 0 310.869 2.925 20 0 DFADRP C[NH+](C)Cc1ccccc1CNC(=O)C[C@@H]1[NH2+]Cc2ccccc21 ZINC000662354798 431056157 /nfs/dbraw/zinc/05/61/57/431056157.db2.gz HTTMKXWEIWPYAC-IBGZPJMESA-N 2 0 323.440 2.599 20 0 DFADRP CC[NH+](CC)Cc1cccc(CNC(=O)[C@H]2CCC[C@H]2C[NH3+])c1 ZINC000649290031 431056852 /nfs/dbraw/zinc/05/68/52/431056852.db2.gz QIUZWZWPISIOAG-ROUUACIJSA-N 2 0 317.477 2.520 20 0 DFADRP CC[NH+](CC)[C@H](CNC(=O)CCC(C)(C)[NH3+])Cc1ccccc1 ZINC000649292569 431057135 /nfs/dbraw/zinc/05/71/35/431057135.db2.gz PRZBIPGGJSMGET-KRWDZBQOSA-N 2 0 319.493 2.573 20 0 DFADRP CC[NH+](CC)[C@@H](CNC(=O)CCC(C)(C)[NH3+])Cc1ccccc1 ZINC000649292570 431057257 /nfs/dbraw/zinc/05/72/57/431057257.db2.gz PRZBIPGGJSMGET-QGZVFWFLSA-N 2 0 319.493 2.573 20 0 DFADRP C[C@@H]1CCC[N@H+](Cc2ccc(NC(=O)[C@@H]3C[C@H]4C[C@H]4[NH2+]3)cc2)C1 ZINC000649288267 431058196 /nfs/dbraw/zinc/05/81/96/431058196.db2.gz GYNBRDJBDXHTLY-UWIFEVILSA-N 2 0 313.445 2.607 20 0 DFADRP [NH3+]C1CCC(C(=O)N2CCC[N@H+](CC3CCCCC3)CC2)CC1 ZINC000649303292 431060071 /nfs/dbraw/zinc/06/00/71/431060071.db2.gz QVRPTYGVPUITLE-UHFFFAOYSA-N 2 0 321.509 2.619 20 0 DFADRP COc1ccc(-c2cc(C[NH+]3CCC([C@@H](C)[NH3+])CC3)on2)cc1 ZINC000662245566 431012414 /nfs/dbraw/zinc/01/24/14/431012414.db2.gz KWLFHVNHJORTSS-CYBMUJFWSA-N 2 0 315.417 2.909 20 0 DFADRP CCc1oc2ccccc2c1C[N@H+](C)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662249156 431012964 /nfs/dbraw/zinc/01/29/64/431012964.db2.gz RAZYCKSSHONLDI-CQSZACIVSA-N 2 0 314.429 2.948 20 0 DFADRP C[N@H+](Cc1ccc2c(c1)OCO2)Cc1cccc2c1CC[NH2+]C2 ZINC000662248744 431013574 /nfs/dbraw/zinc/01/35/74/431013574.db2.gz JCGAKRBOBCAIOL-UHFFFAOYSA-N 2 0 310.397 2.693 20 0 DFADRP C[NH+](C)CC[C@@H](NC(=O)C[C@@H]1[NH2+]Cc2ccccc21)C(C)(C)C ZINC000659293672 431014113 /nfs/dbraw/zinc/01/41/13/431014113.db2.gz XKZIOXDBLYSFGM-DLBZAZTESA-N 2 0 317.477 2.704 20 0 DFADRP Clc1ccccc1C[C@@H]1CCC[N@@H+]1C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662253021 431015402 /nfs/dbraw/zinc/01/54/02/431015402.db2.gz GLHHJFKKGKDQEZ-HOTGVXAUSA-N 2 0 320.864 2.868 20 0 DFADRP Fc1ccccc1C1CC[NH+](C[C@H]2CCC3(C[NH2+]C3)O2)CC1 ZINC000662254895 431015457 /nfs/dbraw/zinc/01/54/57/431015457.db2.gz MMLVKUWHJNDXFY-OAHLLOKOSA-N 2 0 304.409 2.526 20 0 DFADRP c1ccc(C[C@H]2CCCC[N@H+]2C[C@H]2CCC3(C[NH2+]C3)O2)cc1 ZINC000662256156 431015590 /nfs/dbraw/zinc/01/55/90/431015590.db2.gz HJUHFLUKPSLOMF-QZTJIDSGSA-N 2 0 300.446 2.605 20 0 DFADRP CCc1ccc(C[N@H+](C[C@H]2CCC3(C[NH2+]C3)O2)C2CC2)cc1 ZINC000662250971 431016245 /nfs/dbraw/zinc/01/62/45/431016245.db2.gz UMDAQRBWHRXOKK-GOSISDBHSA-N 2 0 300.446 2.734 20 0 DFADRP O=C(C[C@H]1[NH2+]Cc2ccccc21)Nc1ccc2c(c1)C[NH2+]CC2 ZINC000659298302 431016321 /nfs/dbraw/zinc/01/63/21/431016321.db2.gz ZBKHARQYHMPGSW-GOSISDBHSA-N 2 0 307.397 2.505 20 0 DFADRP CC[C@H](C(=O)N[C@@H](C[NH+]1CCCCC1)c1ccccc1)[NH+](C)C ZINC000665724480 431016902 /nfs/dbraw/zinc/01/69/02/431016902.db2.gz CIPFWJQWTQRYPB-ZWKOTPCHSA-N 2 0 317.477 2.670 20 0 DFADRP CC[N@H+](C[C@H]1CCC2(C[NH2+]C2)O1)[C@@H](C)c1cccc(OC)c1 ZINC000662252139 431017206 /nfs/dbraw/zinc/01/72/06/431017206.db2.gz KJEXOBLPSDWTMM-WMLDXEAASA-N 2 0 304.434 2.599 20 0 DFADRP Cc1ccc(C[C@@H]2CCC[N@H+](C[C@@H]3CCC4(C[NH2+]C4)O3)C2)cc1 ZINC000662256148 431017312 /nfs/dbraw/zinc/01/73/12/431017312.db2.gz HDZAXVIJGNBRJS-OALUTQOASA-N 2 0 314.473 2.771 20 0 DFADRP C[C@H](Cc1ccc(Cl)cc1)[N@H+](C)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662254052 431017325 /nfs/dbraw/zinc/01/73/25/431017325.db2.gz DPOPYCDNDXFQBY-CZUORRHYSA-N 2 0 308.853 2.724 20 0 DFADRP Cc1cc2c(c(C)c1)[C@@H]([NH2+][C@@H](C)CCN1CC[NH+](C)CC1)CC2 ZINC000655756948 431120107 /nfs/dbraw/zinc/12/01/07/431120107.db2.gz LQHCIHJAMANOOE-HKUYNNGSSA-N 2 0 315.505 2.906 20 0 DFADRP [NH3+][C@@H]1CCCCCC[C@@H]1C(=O)N1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662592365 431124546 /nfs/dbraw/zinc/12/45/46/431124546.db2.gz FRMLHSSLIBANOW-OKZBNKHCSA-N 2 0 321.509 2.522 20 0 DFADRP C[NH+](C)[C@H](CNC(=O)CCC(C)(C)[NH3+])c1ccc(Cl)cc1 ZINC000649346578 431072042 /nfs/dbraw/zinc/07/20/42/431072042.db2.gz SXEZIYDMGYWVEI-CQSZACIVSA-N 2 0 311.857 2.576 20 0 DFADRP CC[NH+](CC)C[C@@H](C)NC(=O)c1ccc2c(c1)[C@H](C[NH3+])CCC2 ZINC000662416442 431076481 /nfs/dbraw/zinc/07/64/81/431076481.db2.gz YGFPMYCRCUBVBR-PBHICJAKSA-N 2 0 317.477 2.525 20 0 DFADRP CC(C)[C@H]([NH3+])CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000645803812 431077665 /nfs/dbraw/zinc/07/76/65/431077665.db2.gz GBZWKDGIKUBRBO-MRXNPFEDSA-N 2 0 321.490 2.547 20 0 DFADRP Cc1ccc([C@H](CNC(=O)C[C@@H]([NH3+])C(C)C)[NH+]2CCCC2)cc1 ZINC000645801973 431077992 /nfs/dbraw/zinc/07/79/92/431077992.db2.gz YLINIFGZDRSEEH-MSOLQXFVSA-N 2 0 317.477 2.622 20 0 DFADRP CC1(C)CC(NC2CC[NH+](C[C@H]3CCCO3)CC2)CC(C)(C)[NH2+]1 ZINC000655683189 431080715 /nfs/dbraw/zinc/08/07/15/431080715.db2.gz PHLYSVWKPOTVSY-QGZVFWFLSA-N 2 0 323.525 2.529 20 0 DFADRP COc1cncc(/C=C\CC[NH+]2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000645814626 431080784 /nfs/dbraw/zinc/08/07/84/431080784.db2.gz CQKWMZBWWAIGFX-RQOWECAXSA-N 2 0 324.428 2.711 20 0 DFADRP CC[C@H]([NH2+]C)C(=O)NC[C@H](CC(C)C)[NH2+][C@H](C)c1ccccc1 ZINC000662453427 431085938 /nfs/dbraw/zinc/08/59/38/431085938.db2.gz AEMCTLYRXXEPEQ-NJAFHUGGSA-N 2 0 319.493 2.866 20 0 DFADRP COc1ccc([C@H](C[NH3+])C[N@@H+]2CCC[C@@H]2c2ccccn2)cc1 ZINC000649411726 431093184 /nfs/dbraw/zinc/09/31/84/431093184.db2.gz ZHBFLMFZHIJING-VQIMIIECSA-N 2 0 311.429 2.970 20 0 DFADRP CC[N@@H+]1CC[C@H](CNCc2cn(-c3ccc(C)cc3)nc2C)C1 ZINC000655711403 431093239 /nfs/dbraw/zinc/09/32/39/431093239.db2.gz JPCXEKSXPNPHGN-QGZVFWFLSA-N 2 0 312.461 2.921 20 0 DFADRP c1ccc(C[N@H+]2CCC[C@@]3(CCN(C[C@@H]4CC[NH2+]C4)C3)C2)cc1 ZINC000649412910 431094033 /nfs/dbraw/zinc/09/40/33/431094033.db2.gz DAEPSCMQKVQDTH-WOJBJXKFSA-N 2 0 313.489 2.584 20 0 DFADRP CN(Cc1ccccc1)[C@H]1CC[N@H+](CCCC2CC[NH2+]CC2)C1 ZINC000649413863 431094495 /nfs/dbraw/zinc/09/44/95/431094495.db2.gz OIAFDWWOUYQCGP-FQEVSTJZSA-N 2 0 315.505 2.973 20 0 DFADRP Cc1ccnc(NC[C@@H]2CC[N@H+](CCC3CC[NH2+]CC3)C2)c1 ZINC000649414503 431096196 /nfs/dbraw/zinc/09/61/96/431096196.db2.gz CIECHEYLIFNODQ-KRWDZBQOSA-N 2 0 302.466 2.514 20 0 DFADRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H]2CC[C@H](C)SC2)[C@@H](C)C1 ZINC000655714860 431096306 /nfs/dbraw/zinc/09/63/06/431096306.db2.gz FNVSYYKMVVRRHD-NXOAAHMSSA-N 2 0 314.539 2.997 20 0 DFADRP Cc1ccnc(NC[C@H]2CC[N@H+](CCCC3CC[NH2+]CC3)C2)c1 ZINC000649414704 431096454 /nfs/dbraw/zinc/09/64/54/431096454.db2.gz RJFCVTNKTDSZHE-GOSISDBHSA-N 2 0 316.493 2.904 20 0 DFADRP C[C@H](c1cccnc1)N1CC[NH+](CCCC2CC[NH2+]CC2)CC1 ZINC000649414594 431096889 /nfs/dbraw/zinc/09/68/89/431096889.db2.gz KFVKXVZHOUCLQV-QGZVFWFLSA-N 2 0 316.493 2.540 20 0 DFADRP CC[C@@H](NC1CC[NH+](C[C@H]2CCCO2)CC1)c1nccs1 ZINC000655725912 431101025 /nfs/dbraw/zinc/10/10/25/431101025.db2.gz NLQLDVSNJABIEM-HUUCEWRRSA-N 2 0 309.479 2.827 20 0 DFADRP C[N@H+](CCc1c(F)cccc1F)C[C@@H]1CCn2ccnc2C1 ZINC000645892752 431105953 /nfs/dbraw/zinc/10/59/53/431105953.db2.gz QKTPNWRMLBBCRC-CYBMUJFWSA-N 2 0 305.372 2.898 20 0 DFADRP C[C@@H]1CC[C@H]([NH2+]C2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)CS1 ZINC000655733167 431106360 /nfs/dbraw/zinc/10/63/60/431106360.db2.gz JUBXUPWGKXYJQK-IWCQGFGOSA-N 2 0 312.523 2.628 20 0 DFADRP CO[C@H](Cc1ccccc1)C[N@H+](C)C[C@H]1CCc2nccn2C1 ZINC000649460709 431107722 /nfs/dbraw/zinc/10/77/22/431107722.db2.gz VRKRJYMDWOYUPH-QZTJIDSGSA-N 2 0 313.445 2.635 20 0 DFADRP CCN(C(=O)[C@H](C)C[NH2+]C)[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000368453030 279009068 /nfs/dbraw/zinc/00/90/68/279009068.db2.gz GMNACYPXEQXIOG-JFIYKMOQSA-N 2 0 317.477 2.526 20 0 DFADRP Cc1cncc([C@@H](C)[NH2+]CCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000184325308 279025605 /nfs/dbraw/zinc/02/56/05/279025605.db2.gz JYERLNJRTNSYEV-IXDOHACOSA-N 2 0 305.466 2.930 20 0 DFADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1NC[C@H]1CC[NH+](C)[C@H]1c1ccccc1 ZINC000371517501 288104964 /nfs/dbraw/zinc/10/49/64/288104964.db2.gz FDRGTELHYOWOPG-ZJXIFLPPSA-N 2 0 315.505 2.998 20 0 DFADRP Cc1nc2ccccc2n1CC[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000261818069 279129618 /nfs/dbraw/zinc/12/96/18/279129618.db2.gz WJGNDXBQYHBUPG-ZACQAIPSSA-N 2 0 312.461 2.855 20 0 DFADRP CC(C)C[C@@H](CNC(=O)CC(C)(C)[NH3+])[NH2+][C@@H](C)c1ccccc1 ZINC000645964358 431132801 /nfs/dbraw/zinc/13/28/01/431132801.db2.gz FSXKGLFSHYGZSO-RDJZCZTQSA-N 2 0 319.493 2.996 20 0 DFADRP CC[N@H+](Cc1ccc(C(=O)N(C)CC(C)(C)[NH3+])cc1)C(C)C ZINC000662609208 431133960 /nfs/dbraw/zinc/13/39/60/431133960.db2.gz WPEYZYDKIBSJNJ-UHFFFAOYSA-N 2 0 305.466 2.726 20 0 DFADRP CC[NH+](CC)[C@H](C(=O)N1CCC[C@@H](CC[NH3+])C1)c1ccccc1 ZINC000281883481 279153235 /nfs/dbraw/zinc/15/32/35/279153235.db2.gz GKRRRZCCPBBPTG-WMZOPIPTSA-N 2 0 317.477 2.657 20 0 DFADRP C[C@H](C(=O)NCCCC[NH+]1CCC[C@@H](C)C1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000122284176 279223212 /nfs/dbraw/zinc/22/32/12/279223212.db2.gz XZZLFZOWMGYSLY-ZJPYXAASSA-N 2 0 323.525 2.876 20 0 DFADRP CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC000361495210 279299796 /nfs/dbraw/zinc/29/97/96/279299796.db2.gz CQJMQSMBDGESGJ-SJLPKXTDSA-N 2 0 321.509 2.584 20 0 DFADRP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@H]1CC[C@H](C)c2ccccc21 ZINC000247972655 279313407 /nfs/dbraw/zinc/31/34/07/279313407.db2.gz HMHQSZVHFHFYHA-FCEWJHQRSA-N 2 0 301.478 2.851 20 0 DFADRP [NH3+]C1(CC(=O)Nc2ccc(CC[NH+]3CCCCC3)cc2)CC1 ZINC000662690689 431161448 /nfs/dbraw/zinc/16/14/48/431161448.db2.gz AIRLKSVOMGZGBR-UHFFFAOYSA-N 2 0 301.434 2.535 20 0 DFADRP C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)C2([NH2+]C3CC3)CCC2)C1 ZINC000662683413 431162746 /nfs/dbraw/zinc/16/27/46/431162746.db2.gz NTFZSPDBUODYPP-HZPDHXFCSA-N 2 0 321.509 2.535 20 0 DFADRP C[C@H](C[NH+]1CCC(C)CC1)NC(=O)[C@H]([NH3+])CC1CCCCC1 ZINC000662695237 431163993 /nfs/dbraw/zinc/16/39/93/431163993.db2.gz XYWMEQRMTYNMIL-NVXWUHKLSA-N 2 0 309.498 2.521 20 0 DFADRP C[C@H](C[NH+]1CCC(C)CC1)NC(=O)[C@@H]([NH3+])CC1CCCCC1 ZINC000662695239 431164590 /nfs/dbraw/zinc/16/45/90/431164590.db2.gz XYWMEQRMTYNMIL-WBVHZDCISA-N 2 0 309.498 2.521 20 0 DFADRP COc1cccc(C[NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)c1OC(F)F ZINC000655825546 431170845 /nfs/dbraw/zinc/17/08/45/431170845.db2.gz HHZJLTFPRICIRG-BJHJDKERSA-N 2 0 314.376 2.726 20 0 DFADRP C[NH+](C)[C@H]1C[C@@H](C[NH2+]Cc2cc(Cl)c3c(c2)OCCCO3)C1 ZINC000655825995 431172320 /nfs/dbraw/zinc/17/23/20/431172320.db2.gz BDQBZKNPGNVTKQ-XBXGTLAGSA-N 2 0 324.852 2.931 20 0 DFADRP CSc1cccc(C[N@H+](C)CC2CC[NH+](C[C@H](C)O)CC2)c1 ZINC000659891003 431173537 /nfs/dbraw/zinc/17/35/37/431173537.db2.gz JUYNHRGOWGGYCO-HNNXBMFYSA-N 2 0 322.518 2.933 20 0 DFADRP C[NH+](C)[C@H]1C[C@@H](C[NH2+]Cc2ccc(OC(F)F)c(F)c2)C1 ZINC000655827745 431173993 /nfs/dbraw/zinc/17/39/93/431173993.db2.gz ZEMDJWMOBOHZDL-TXEJJXNPSA-N 2 0 302.340 2.857 20 0 DFADRP C[C@H]([NH2+]C1(CNC(=O)[C@H]2C[C@H]([NH3+])C2)CCCC1)c1ccccc1 ZINC000662730234 431177717 /nfs/dbraw/zinc/17/77/17/431177717.db2.gz WADDCKDNAOCFSC-XIRDDKMYSA-N 2 0 315.461 2.504 20 0 DFADRP Cc1ccc(C[N@H+]2CC[C@@H](CN(C)C[C@@H]3CCC[NH+]3C)C2)s1 ZINC000649603432 431191215 /nfs/dbraw/zinc/19/12/15/431191215.db2.gz MFQPPZYMSSJMJZ-IRXDYDNUSA-N 2 0 321.534 2.904 20 0 DFADRP C[C@H]1C[N@H+](Cc2ccccc2)CCCN1C[C@H]1CCC[NH+]1C ZINC000649539147 431149282 /nfs/dbraw/zinc/14/92/82/431149282.db2.gz LCOQLXHGVWIZBF-PKOBYXMFSA-N 2 0 301.478 2.677 20 0 DFADRP [NH3+][C@H](CC1CCCCC1)C(=O)N[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000662668152 431157196 /nfs/dbraw/zinc/15/71/96/431157196.db2.gz IKJINZRZKPCNFB-SJLPKXTDSA-N 2 0 321.509 2.807 20 0 DFADRP C[NH2+][C@@H](CC(C)(C)C)C(=O)N[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000662667419 431157420 /nfs/dbraw/zinc/15/74/20/431157420.db2.gz AAJXHNIHYQBZJG-ZBFHGGJFSA-N 2 0 309.498 2.534 20 0 DFADRP C[C@H](c1ccccc1)N1CC[C@H]([NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)C1 ZINC000655806142 431157365 /nfs/dbraw/zinc/15/73/65/431157365.db2.gz PSHACOKRVJFBOE-FPAYPSAMSA-N 2 0 301.478 2.752 20 0 DFADRP C[C@H]([NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1)c1ccc2c(c1)OCCCO2 ZINC000655806540 431157635 /nfs/dbraw/zinc/15/76/35/431157635.db2.gz YCOQMDRCJXLVMK-OFQRWUPVSA-N 2 0 304.434 2.839 20 0 DFADRP CC1CC[NH+](C[C@@H]2CCC[N@H+](C[C@H]3CCC[C@@H](O)C3)C2)CC1 ZINC000659865821 431158013 /nfs/dbraw/zinc/15/80/13/431158013.db2.gz QJQSEFVMZWIRLL-GBESFXJTSA-N 2 0 308.510 2.981 20 0 DFADRP CC[NH+](CC)[C@H](C(=O)NC[C@@H]1CC[C@H](C)[N@@H+]1C)c1ccccc1 ZINC000646040213 431159211 /nfs/dbraw/zinc/15/92/11/431159211.db2.gz DKOTZVBBOARHMD-SZMVWBNQSA-N 2 0 317.477 2.668 20 0 DFADRP C[C@@H]1C[C@@H](C)C[NH+](CCN2CC[C@H](C[NH+]3CCCCC3)C2)C1 ZINC000659957490 431210299 /nfs/dbraw/zinc/21/02/99/431210299.db2.gz TZWUHMNHXZMRPI-GUDVDZBRSA-N 2 0 307.526 2.772 20 0 DFADRP C[NH+](C)CC[C@H](N)C(=O)Nc1ccc(Oc2ccccc2)cc1 ZINC000653056610 431247221 /nfs/dbraw/zinc/24/72/21/431247221.db2.gz PUZNRDBCUCXQEE-KRWDZBQOSA-N 2 0 313.401 2.696 20 0 DFADRP Cc1cc(C[NH+](C)C)cc(NC(=O)[C@H]2CC[C@H](C3CC3)[NH2+]2)c1 ZINC000653152282 431284203 /nfs/dbraw/zinc/28/42/03/431284203.db2.gz HVRLLGYIRJASDK-IAGOWNOFSA-N 2 0 301.434 2.526 20 0 DFADRP [NH3+][C@@H]1CCCCCC[C@@H]1C(=O)N1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000646385039 431289808 /nfs/dbraw/zinc/28/98/08/431289808.db2.gz VNRVEZJNTULXKJ-VSZNYVQBSA-N 2 0 321.509 2.522 20 0 DFADRP CC(C)[NH+]1CCN(C2CC[NH+](C[C@@H]3CC[C@@H]4C[C@@H]4C3)CC2)CC1 ZINC000660150887 431291151 /nfs/dbraw/zinc/29/11/51/431291151.db2.gz MSCGZPFSTXDNIW-QRVBRYPASA-N 2 0 319.537 2.913 20 0 DFADRP C[N@H+](CCC1CCN(c2cc[nH+]cc2)CC1)[C@@H]1CCC[C@H]1O ZINC000660167012 431300155 /nfs/dbraw/zinc/30/01/55/431300155.db2.gz XFXVWGVIVFPVRP-QZTJIDSGSA-N 2 0 303.450 2.533 20 0 DFADRP [NH3+]C[C@]12CCC[C@H]1CN(C(=O)CC[C@@H]([NH3+])CC1CCCCC1)C2 ZINC000653193336 431301135 /nfs/dbraw/zinc/30/11/35/431301135.db2.gz OAMODDVBFKGIOZ-SCTDSRPQSA-N 2 0 321.509 2.652 20 0 DFADRP CC[N@H+](CCCNC(=O)C[C@@H]1CCC[C@H]1[NH3+])C1CCCCC1 ZINC000653200057 431306520 /nfs/dbraw/zinc/30/65/20/431306520.db2.gz WACRJMPEJWBOMJ-DOTOQJQBSA-N 2 0 309.498 2.665 20 0 DFADRP CC[N@H+](CCCNC(=O)c1ccc(C[NH3+])o1)C1CCCCC1 ZINC000653200835 431306603 /nfs/dbraw/zinc/30/66/03/431306603.db2.gz RJQNLXZSHUTFSM-UHFFFAOYSA-N 2 0 307.438 2.513 20 0 DFADRP C[C@@H]1C[C@H](C[NH+]2CCC(CC(=O)NC3CCCC3)CC2)CC[NH2+]1 ZINC000666633523 431307184 /nfs/dbraw/zinc/30/71/84/431307184.db2.gz IEFQNTDGHLZYEE-NVXWUHKLSA-N 2 0 321.509 2.535 20 0 DFADRP O=C(Nc1ccc(CC[NH+]2CCCC2)cc1)[C@H]1CCC[NH2+]CC1 ZINC000653113036 431269928 /nfs/dbraw/zinc/26/99/28/431269928.db2.gz QMADNWHGJLGNFT-KRWDZBQOSA-N 2 0 315.461 2.653 20 0 DFADRP Cc1ccc(C[NH+](C)C)cc1NC(=O)[C@H]1CC[C@@H](C2CC2)[NH2+]1 ZINC000653122333 431273117 /nfs/dbraw/zinc/27/31/17/431273117.db2.gz UBLCEARUGSWKKW-JKSUJKDBSA-N 2 0 301.434 2.526 20 0 DFADRP CC[N@H+](Cc1ccc(CN2CCOCC2)cc1)[C@@H]1CCCOC1 ZINC000649754254 431274382 /nfs/dbraw/zinc/27/43/82/431274382.db2.gz HQLGPGUWFSDDKL-LJQANCHMSA-N 2 0 318.461 2.520 20 0 DFADRP O=C(C[NH2+]C1CC1)Nc1ccc(SCC[NH+]2CCCC2)cc1 ZINC000653253104 431337638 /nfs/dbraw/zinc/33/76/38/431337638.db2.gz HEOXSXRELFUFGQ-UHFFFAOYSA-N 2 0 319.474 2.565 20 0 DFADRP COc1cc2[nH+]ccc(N3CCC(CC[NH3+])CC3)c2cc1OC ZINC000663242119 431339638 /nfs/dbraw/zinc/33/96/38/431339638.db2.gz LZPSHWZCGLZUPK-UHFFFAOYSA-N 2 0 315.417 2.817 20 0 DFADRP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]Cc1cnn(Cc2ccccc2Cl)c1 ZINC000666744014 431344609 /nfs/dbraw/zinc/34/46/09/431344609.db2.gz PZIFUNIGJOLXNB-YOEHRIQHSA-N 2 0 318.852 2.802 20 0 DFADRP C[C@H]1CCC[C@H]([NH+]2CCC([NH2+]C3CCC(C(N)=O)CC3)CC2)C1 ZINC000358185313 279688700 /nfs/dbraw/zinc/68/87/00/279688700.db2.gz YHKLISFTWMQEJC-USSHROBNSA-N 2 0 321.509 2.663 20 0 DFADRP Cc1ccc(NC(=O)C[C@H](C)NC[C@H]2CCCC[NH2+]2)c(C)c1 ZINC000666770204 431351035 /nfs/dbraw/zinc/35/10/35/431351035.db2.gz OWRVSNSUXHLHDL-JKSUJKDBSA-N 2 0 303.450 2.752 20 0 DFADRP CC[NH+]1CCN([C@H](C)C[NH2+]Cc2cccc(C(C)C)c2)CC1 ZINC000663314480 431358541 /nfs/dbraw/zinc/35/85/41/431358541.db2.gz HUWYWAUAHZDAKD-QGZVFWFLSA-N 2 0 303.494 2.926 20 0 DFADRP Cc1nn2c(C[NH2+]CC[C@H]3CCC[NH2+]C3)c(C(C)C)nc2s1 ZINC000666792230 431358768 /nfs/dbraw/zinc/35/87/68/431358768.db2.gz XEMQOSNDTFJMEA-CYBMUJFWSA-N 2 0 321.494 2.702 20 0 DFADRP COc1cccc(-c2n[nH]cc2C[NH2+][C@H](C)CCCC[NH3+])c1 ZINC000666938004 431414923 /nfs/dbraw/zinc/41/49/23/431414923.db2.gz NLZDYNZWTGCBKZ-CYBMUJFWSA-N 2 0 302.422 2.692 20 0 DFADRP Cc1nn(-c2ccccc2)c(C)c1C[NH2+][C@H]1CC12CC[NH2+]CC2 ZINC000666950756 431420179 /nfs/dbraw/zinc/42/01/79/431420179.db2.gz FBOHNOPHVISBAP-SFHVURJKSA-N 2 0 310.445 2.721 20 0 DFADRP COc1ccc(C[NH2+][C@@H]2CC23CC[NH2+]CC3)cc1OC(F)F ZINC000666950969 431421051 /nfs/dbraw/zinc/42/10/51/431421051.db2.gz UQUZQUYKGJEPHO-CQSZACIVSA-N 2 0 312.360 2.528 20 0 DFADRP CCCOc1cc(C[NH2+][C@H]2CC23CC[NH2+]CC3)ccc1OC ZINC000666950926 431421071 /nfs/dbraw/zinc/42/10/71/431421071.db2.gz QVLMZYUEHNRAAH-KRWDZBQOSA-N 2 0 304.434 2.716 20 0 DFADRP C[C@@H]1CCC[C@H]([NH+]2CCC([NH2+][C@@H]3CC34CC[NH2+]CC4)CC2)C1 ZINC000666954178 431421818 /nfs/dbraw/zinc/42/18/18/431421818.db2.gz RFZHKUOPYBUCSD-BPQIPLTHSA-N 2 0 305.510 2.761 20 0 DFADRP FC(F)(F)COc1ccc(C[NH2+][C@H]2CC23CC[NH2+]CC3)cc1 ZINC000666952144 431422704 /nfs/dbraw/zinc/42/27/04/431422704.db2.gz HSWJRPZGHQVPBJ-AWEZNQCLSA-N 2 0 314.351 2.859 20 0 DFADRP C[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+][C@@H]2CC23CC[NH2+]CC3)CC1 ZINC000666953918 431422733 /nfs/dbraw/zinc/42/27/33/431422733.db2.gz LBSKBWVQBJHSTQ-BPQIPLTHSA-N 2 0 305.510 2.761 20 0 DFADRP CCc1ccccc1NC(=O)C[C@@H](C)[NH2+][C@H]1CC12CC[NH2+]CC2 ZINC000666953607 431423021 /nfs/dbraw/zinc/42/30/21/431423021.db2.gz BWZHQLCMUDAPMG-PBHICJAKSA-N 2 0 315.461 2.698 20 0 DFADRP Cc1ccc(C[NH2+][C@@H]2CC23CC[NH2+]CC3)c(Br)c1 ZINC000666952164 431423092 /nfs/dbraw/zinc/42/30/92/431423092.db2.gz IRJFKOFYHHIKES-CQSZACIVSA-N 2 0 309.251 2.989 20 0 DFADRP c1cn2c(C[NH2+][C@@H]3CC34CC[NH2+]CC4)c(C3CC3)nc2s1 ZINC000666951984 431423426 /nfs/dbraw/zinc/42/34/26/431423426.db2.gz AYXIMJOJXDZUFW-CYBMUJFWSA-N 2 0 302.447 2.505 20 0 DFADRP c1cc2c(cc1C[NH2+]C[C@H]1CCC[N@H+](CC3CC3)C1)OCCO2 ZINC000663347290 431377020 /nfs/dbraw/zinc/37/70/20/431377020.db2.gz JBVYFUQSRHSYQT-QGZVFWFLSA-N 2 0 316.445 2.669 20 0 DFADRP Cn1cc(C[NH2+]C[C@@H]2CC[NH2+]C2)c(-c2cc3ccccc3o2)n1 ZINC000666844960 431380085 /nfs/dbraw/zinc/38/00/85/431380085.db2.gz JDUVJELXHAKZIN-CYBMUJFWSA-N 2 0 310.401 2.532 20 0 DFADRP C[C@H](CC[NH2+]CCC(=O)N(C)c1ccccc1)[NH+]1CCCCC1 ZINC000663360457 431384356 /nfs/dbraw/zinc/38/43/56/431384356.db2.gz OHXDEQRFJHKAAX-QGZVFWFLSA-N 2 0 317.477 2.894 20 0 DFADRP CC(C)[N@@H+]1CCC[C@H](C[NH2+]CCC(=O)N(C)c2ccccc2)C1 ZINC000663359910 431384743 /nfs/dbraw/zinc/38/47/43/431384743.db2.gz KUMZJHYEXHXWKV-QGZVFWFLSA-N 2 0 317.477 2.750 20 0 DFADRP Cc1nn(-c2ccc(F)cc2)c(C)c1C[NH2+][C@H]1CCC[NH2+]CC1 ZINC000666855196 431386348 /nfs/dbraw/zinc/38/63/48/431386348.db2.gz DTUAAZBXGTWHLR-INIZCTEOSA-N 2 0 316.424 2.860 20 0 DFADRP Cc1ccc(NC(=O)C[C@H](C)[NH2+][C@H]2CCC[NH2+]CC2)c(C)c1 ZINC000666858087 431386374 /nfs/dbraw/zinc/38/63/74/431386374.db2.gz WIUXPWFRUKZVDW-HOTGVXAUSA-N 2 0 303.450 2.752 20 0 DFADRP COc1ccc(C[NH2+][C@H]2CCC[NH2+]CC2)cc1OCC(C)C ZINC000666855294 431386977 /nfs/dbraw/zinc/38/69/77/431386977.db2.gz KVJCZRJMVGTHOA-INIZCTEOSA-N 2 0 306.450 2.962 20 0 DFADRP c1ccc(C[N@@H+]2CC[C@@H](N3CCC4(CCOC4)CC3)C2)cc1 ZINC000656480667 431402725 /nfs/dbraw/zinc/40/27/25/431402725.db2.gz NUBBNVROCNCDJV-GOSISDBHSA-N 2 0 300.446 2.763 20 0 DFADRP CC(C)[C@@H](C(=O)NC[C@H](C)[NH+]1CCC(C)CC1)[NH+]1CCCCC1 ZINC000354783297 279789582 /nfs/dbraw/zinc/78/95/82/279789582.db2.gz FWTDBABPBUPPFE-ROUUACIJSA-N 2 0 323.525 2.734 20 0 DFADRP C[C@@H](CC(=O)Nc1cccc(F)c1)[NH2+][C@H]1CC[NH2+]C2(CCC2)C1 ZINC000666995339 431437338 /nfs/dbraw/zinc/43/73/38/431437338.db2.gz KJQQWQYSQHMKQZ-BBRMVZONSA-N 2 0 319.424 2.807 20 0 DFADRP c1cc(-c2n[nH]cc2C[NH2+][C@@H]2CC[NH2+]C3(CCC3)C2)cs1 ZINC000666993703 431437457 /nfs/dbraw/zinc/43/74/57/431437457.db2.gz CTJKAGJOBLSZAR-CQSZACIVSA-N 2 0 302.447 2.903 20 0 DFADRP Cc1ccccc1NC(=O)C[C@H](C)[NH2+][C@H]1CC[NH2+]C2(CCC2)C1 ZINC000666995187 431437523 /nfs/dbraw/zinc/43/75/23/431437523.db2.gz FOWWSQSXLSZTLH-HOTGVXAUSA-N 2 0 315.461 2.976 20 0 DFADRP C[C@@H]1C[NH2+]CC[C@@H]1C[NH2+][C@@H]1CC(C)(C)Oc2ccc(N)cc21 ZINC000663499411 431446201 /nfs/dbraw/zinc/44/62/01/431446201.db2.gz VVMMROPVZBPMNU-XJKCOSOUSA-N 2 0 303.450 2.706 20 0 DFADRP Cc1nn(-c2ccccc2)c(C)c1C[NH2+]CC[C@@H]([NH3+])C(C)C ZINC000663498210 431446499 /nfs/dbraw/zinc/44/64/99/431446499.db2.gz MWBYIWKMITXANE-GOSISDBHSA-N 2 0 300.450 2.952 20 0 DFADRP CC(C)[C@H]([NH3+])CC[NH2+]Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000663498910 431446863 /nfs/dbraw/zinc/44/68/63/431446863.db2.gz SYQPQNJGBMYASQ-LJQANCHMSA-N 3 0 319.493 2.624 20 0 DFADRP NC(=O)[C@@H]1CCCN1C1CC[NH+](CCC2CCCCCC2)CC1 ZINC000653588104 431448239 /nfs/dbraw/zinc/44/82/39/431448239.db2.gz DPSYWMDRBQRZJL-SFHVURJKSA-N 2 0 321.509 2.761 20 0 DFADRP CC[C@@H]1CCC[C@@H](C[NH2+]C2CCN(C(=O)CCC[NH2+]C)CC2)C1 ZINC000663505110 431448367 /nfs/dbraw/zinc/44/83/67/431448367.db2.gz DNWIUYMWWGLJAT-IAGOWNOFSA-N 2 0 323.525 2.783 20 0 DFADRP c1cc(CCC[N@@H+]2CCC[C@@H](N3CCOCC3)CC2)cs1 ZINC000660476658 431449241 /nfs/dbraw/zinc/44/92/41/431449241.db2.gz DOFCLOLVMNEZKT-QGZVFWFLSA-N 2 0 308.491 2.867 20 0 DFADRP CC[C@@H](C)C[C@H](CC)[NH2+]C1CCN(C(=O)CCC[NH2+]C)CC1 ZINC000663506519 431449581 /nfs/dbraw/zinc/44/95/81/431449581.db2.gz SVUUDKLHXIVHRW-CVEARBPZSA-N 2 0 311.514 2.781 20 0 DFADRP CC[N@H+](C)C[C@H](O)CN[C@@H](CC(C)C)c1ccccc1OC ZINC000653606904 431456107 /nfs/dbraw/zinc/45/61/07/431456107.db2.gz KIDXYVKDVMSXID-WBVHZDCISA-N 2 0 308.466 2.685 20 0 DFADRP Cc1ccc(C[N@H+]2CC[C@H](CN(C)Cc3cn(C)cn3)C2)s1 ZINC000660497080 431461397 /nfs/dbraw/zinc/46/13/97/431461397.db2.gz KZEQHIHRDFYZNT-OAHLLOKOSA-N 2 0 318.490 2.744 20 0 DFADRP C[NH+](C)Cc1ccc(-c2noc([C@@H]3C[NH2+]CCC3(F)F)n2)cc1 ZINC000647121325 431466025 /nfs/dbraw/zinc/46/60/25/431466025.db2.gz HUSKMNCXRUAXGF-ZDUSSCGKSA-N 2 0 322.359 2.510 20 0 DFADRP C[NH+](C)Cc1ccc(-c2noc([C@H]3CCC[C@H]3C[NH3+])n2)cc1 ZINC000647121381 431467037 /nfs/dbraw/zinc/46/70/37/431467037.db2.gz WTHMLROTMGBIIL-GJZGRUSLSA-N 2 0 300.406 2.641 20 0 DFADRP CC(C)C[N@H+](C)CCCNC(=O)[C@@H](C)[NH+](C)Cc1ccccc1 ZINC000650179213 431478647 /nfs/dbraw/zinc/47/86/47/431478647.db2.gz ZHTUGNMVSWIHOV-QGZVFWFLSA-N 2 0 319.493 2.601 20 0 DFADRP Cc1ccc([C@@H]2C[C@@H](C)[NH+](C[C@H](O)C[N@@H+](C)C(C)C)C2)cc1 ZINC000660432830 431428396 /nfs/dbraw/zinc/42/83/96/431428396.db2.gz XXEGFTOAGOSECE-BHIYHBOVSA-N 2 0 304.478 2.874 20 0 DFADRP Cn1ncc2c1CCC[C@@H]2[NH2+]C[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000663467213 431430501 /nfs/dbraw/zinc/43/05/01/431430501.db2.gz DSCPWQXKTWZUNF-RDJZCZTQSA-N 2 0 302.466 2.509 20 0 DFADRP O[C@H]1CCC[C@H](C[N@H+]2C[C@@H]3C[NH+](Cc4ccccc4)C[C@@H]3C2)C1 ZINC000660445264 431433327 /nfs/dbraw/zinc/43/33/27/431433327.db2.gz APMPMUSWMLVBEY-HAGHYFMRSA-N 2 0 314.473 2.601 20 0 DFADRP C[NH+]1CCC2(CC1)C[N@H+](CCCc1c(F)cccc1F)CCO2 ZINC000653777069 431520086 /nfs/dbraw/zinc/52/00/86/431520086.db2.gz IPZRVUPMCPRFKX-UHFFFAOYSA-N 2 0 324.415 2.694 20 0 DFADRP CCN(C)c1ccc(C[NH+]2CCC([C@H]3CCC[NH2+]C3)CC2)cn1 ZINC000656785450 431522564 /nfs/dbraw/zinc/52/25/64/431522564.db2.gz HSABSPFECUJCMS-SFHVURJKSA-N 2 0 316.493 2.749 20 0 DFADRP CCn1nc(C)c(C[N@@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)c1C ZINC000656785977 431522820 /nfs/dbraw/zinc/52/28/20/431522820.db2.gz ORSIQAFNNJGNBA-QGZVFWFLSA-N 2 0 304.482 2.731 20 0 DFADRP [NH3+]C1(CNCc2ccc(OCC[NH+]3CCCC3)cc2)CCCC1 ZINC000656788704 431526806 /nfs/dbraw/zinc/52/68/06/431526806.db2.gz XGQQHFYMKGZFCV-UHFFFAOYSA-N 2 0 317.477 2.522 20 0 DFADRP CN(C)c1cc[nH+]cc1CNC[C@@H]1C[N@H+](C)C[C@H]1c1ccccc1 ZINC000647249127 431527409 /nfs/dbraw/zinc/52/74/09/431527409.db2.gz DAQVPWDOCPKOAE-MOPGFXCFSA-N 2 0 324.472 2.583 20 0 DFADRP CC[C@@H]1C[C@H]([NH2+]C[C@@H]2C[N@H+](C)C[C@H]2c2ccccc2)CCO1 ZINC000647249141 431527559 /nfs/dbraw/zinc/52/75/59/431527559.db2.gz DRBUQBJMUPLIAL-MKXGPGLRSA-N 2 0 302.462 2.879 20 0 DFADRP CC[NH+](CC)CCOc1ccc(C[NH2+][C@H]2CO[C@H](C)C2)cc1 ZINC000647171929 431490698 /nfs/dbraw/zinc/49/06/98/431490698.db2.gz AWDOPETXZNNTCC-NVXWUHKLSA-N 2 0 306.450 2.674 20 0 DFADRP CCC[N@@H+]1CC[C@@H](C[NH2+]Cc2cn(C)nc2-c2ccc(C)o2)C1 ZINC000647174993 431494165 /nfs/dbraw/zinc/49/41/65/431494165.db2.gz TYYLJEIPKXZHPH-HNNXBMFYSA-N 2 0 316.449 2.810 20 0 DFADRP OC[C@@H](CC1CC1)[NH2+][C@@H]1CCN(Cc2ccccc2)C2(CC2)C1 ZINC000647196479 431504551 /nfs/dbraw/zinc/50/45/51/431504551.db2.gz AFKVAZQAYRLFBS-RTBURBONSA-N 2 0 314.473 2.934 20 0 DFADRP CCN(C)C[C@@H](O)C[N@@H+]1C[C@H](c2ccccc2)C2(CCC2)C1 ZINC000653762170 431515901 /nfs/dbraw/zinc/51/59/01/431515901.db2.gz YYAQTPDWZMGZSF-QZTJIDSGSA-N 2 0 302.462 2.569 20 0 DFADRP CCC[NH+]1CCC([NH2+][C@@H]2CCO[C@@H](c3cccnc3)C2)CC1 ZINC000647339348 431556353 /nfs/dbraw/zinc/55/63/53/431556353.db2.gz PZPXOEJMSAEBMK-QZTJIDSGSA-N 2 0 303.450 2.766 20 0 DFADRP CCO[C@H]1C[C@@H]([NH2+]Cc2ccc(OCC[NH+]3CCCC3)cc2)C1 ZINC000656873392 431556562 /nfs/dbraw/zinc/55/65/62/431556562.db2.gz AIVBATLUIZGHLI-IZAXUBKRSA-N 2 0 318.461 2.818 20 0 DFADRP C[N@@H+]1C[C@@H](CNC2CC[NH+](C3CC3)CC2)[C@H](c2ccccc2)C1 ZINC000647344464 431558580 /nfs/dbraw/zinc/55/85/80/431558580.db2.gz RAPUYIRCUNTNSJ-XLIONFOSSA-N 2 0 313.489 2.548 20 0 DFADRP C[C@@H]([NH2+]C[C@@H]1C[N@H+](C)C[C@H]1c1ccccc1)[C@@]1(C)CCCO1 ZINC000647344620 431559182 /nfs/dbraw/zinc/55/91/82/431559182.db2.gz VRFJCWHHHXYBSN-OQIJWPOYSA-N 2 0 302.462 2.879 20 0 DFADRP C[C@H](CCn1cccn1)[NH2+]C[C@@H]1C[N@H+](C)C[C@H]1c1ccccc1 ZINC000647343848 431559674 /nfs/dbraw/zinc/55/96/74/431559674.db2.gz DKFCLDZGAQTFKT-QRQLOZEOSA-N 2 0 312.461 2.597 20 0 DFADRP C[C@@H]([NH2+]C[C@@H]1C[N@H+](C)C[C@H]1c1ccccc1)C1CCOCC1 ZINC000647344468 431560464 /nfs/dbraw/zinc/56/04/64/431560464.db2.gz REMVNLIBVJNDFQ-LZQZEXGQSA-N 2 0 302.462 2.737 20 0 DFADRP C[C@@H]([NH2+]C[C@@H]1C[N@H+](C)C[C@H]1c1ccccc1)[C@@H]1CCCOC1 ZINC000647344658 431560992 /nfs/dbraw/zinc/56/09/92/431560992.db2.gz WIKQACFJHMQCOZ-OWYHZJEWSA-N 2 0 302.462 2.737 20 0 DFADRP C[N@@H+]1CC[C@]2(C1)CCC[NH+](CCC(=O)Nc1cccc(F)c1)C2 ZINC000660656737 431533439 /nfs/dbraw/zinc/53/34/39/431533439.db2.gz WXVUERBMFOCOTB-SFHVURJKSA-N 2 0 319.424 2.572 20 0 DFADRP CC(C)C[C@H]([NH2+]CCCC[NH+]1CCN(C)CC1)c1ccncc1 ZINC000647282734 431536006 /nfs/dbraw/zinc/53/60/06/431536006.db2.gz QFVKBCJWVRWTRR-IBGZPJMESA-N 2 0 318.509 2.786 20 0 DFADRP CC[NH+]1CCC(CC[NH2+][C@H](C)c2cc3n(n2)CCCC3)CC1 ZINC000647290596 431538732 /nfs/dbraw/zinc/53/87/32/431538732.db2.gz MFTMASRAAPDFAT-OAHLLOKOSA-N 2 0 304.482 2.992 20 0 DFADRP Cc1cc(CO)cc(N[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)n1 ZINC000663806472 431549562 /nfs/dbraw/zinc/54/95/62/431549562.db2.gz ZTSGLIOXMMTRDR-RDTXWAMCSA-N 2 0 311.429 2.815 20 0 DFADRP CC[C@@H](COC)[NH2+][C@H](C)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000126755452 280153886 /nfs/dbraw/zinc/15/38/86/280153886.db2.gz LYYGCOWUERSDQZ-ZBFHGGJFSA-N 2 0 323.456 2.653 20 0 DFADRP COCCOc1cccc(C[N@@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)c1 ZINC000647480697 431602010 /nfs/dbraw/zinc/60/20/10/431602010.db2.gz XLBUACWQWKSIAM-MJGOQNOKSA-N 2 0 318.461 2.676 20 0 DFADRP CN(CCC[NH2+]Cc1ccnn1-c1cc[nH+]cc1)c1ccccc1 ZINC000657291743 431651513 /nfs/dbraw/zinc/65/15/13/431651513.db2.gz VOMRIZLWWNQDEE-UHFFFAOYSA-N 2 0 321.428 2.883 20 0 DFADRP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCC[N@H+](Cc3ccc(F)c(F)c3)C2)C1 ZINC000650705867 431653685 /nfs/dbraw/zinc/65/36/85/431653685.db2.gz ZFTOOUFLHNBGAE-CPUCHLNUSA-N 2 0 310.388 2.683 20 0 DFADRP Cc1ccc(F)c(C[N@@H+]2CCC[C@H]([C@H]3C[C@H]([NH3+])CCO3)C2)c1 ZINC000650706669 431654176 /nfs/dbraw/zinc/65/41/76/431654176.db2.gz PYLWVXGCRBWWFC-YXJHDRRASA-N 2 0 306.425 2.852 20 0 DFADRP CC(C)c1nc(C[N@@H+]2CCC[C@H]([C@@H]3C[C@H]([NH3+])CCO3)C2)cs1 ZINC000650706575 431655127 /nfs/dbraw/zinc/65/51/27/431655127.db2.gz NPSPGDQCNXJTRW-LZWOXQAQSA-N 2 0 323.506 2.985 20 0 DFADRP COc1ccc(C[N@@H+]2CCC[C@H]([C@@H]3C[C@@H]([NH3+])CCO3)C2)c(F)c1 ZINC000650708983 431655902 /nfs/dbraw/zinc/65/59/02/431655902.db2.gz XSPOLHAEFUENRB-MPGHIAIKSA-N 2 0 322.424 2.553 20 0 DFADRP CCc1cccc2cc(C[NH2+]CCCN3CC[NH+](C)CC3)oc21 ZINC000657295450 431656752 /nfs/dbraw/zinc/65/67/52/431656752.db2.gz CKEAKCBRZVIMOJ-UHFFFAOYSA-N 2 0 315.461 2.722 20 0 DFADRP [NH3+]C[C@]12CCC[C@H]1C[N@H+](Cc1c[nH]nc1-c1ccsc1)C2 ZINC000650709900 431657092 /nfs/dbraw/zinc/65/70/92/431657092.db2.gz WKIPVXKXJPUYNZ-HOCLYGCPSA-N 2 0 302.447 2.699 20 0 DFADRP Cc1nn(C(C)(C)C)c(C)c1C[N@@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000650709270 431657337 /nfs/dbraw/zinc/65/73/37/431657337.db2.gz ODYPBQZNLFWZFD-YJBOKZPZSA-N 2 0 304.482 2.816 20 0 DFADRP CC(C)c1cnc(C[N@@H+]2CCC[C@H]([C@@H]3C[C@H]([NH3+])CCO3)C2)s1 ZINC000650708435 431657499 /nfs/dbraw/zinc/65/74/99/431657499.db2.gz ZLJPRUSDMOOZSK-ZNMIVQPWSA-N 2 0 323.506 2.985 20 0 DFADRP C[C@H]1CCC[N@H+](Cc2ccc(N3CCCC3)nc2)[C@H]1CC[NH3+] ZINC000650711468 431658788 /nfs/dbraw/zinc/65/87/88/431658788.db2.gz UOGZIGLBNOWPOG-RDJZCZTQSA-N 2 0 302.466 2.631 20 0 DFADRP COc1sc(C[NH2+]CCC2(C[NH3+])CC2)cc1Br ZINC000650712843 431659202 /nfs/dbraw/zinc/65/92/02/431659202.db2.gz XEVOFJMHUIGPSS-UHFFFAOYSA-N 2 0 319.268 2.738 20 0 DFADRP COc1ccc(C[NH2+]CCC2(C[NH3+])CC2)cc1Br ZINC000650711904 431660038 /nfs/dbraw/zinc/66/00/38/431660038.db2.gz ILGGZZMSDJWVRZ-UHFFFAOYSA-N 2 0 313.239 2.676 20 0 DFADRP [NH3+]CC1(CC[NH2+]Cc2ccc(OCc3ccncc3)cc2)CC1 ZINC000650712769 431660492 /nfs/dbraw/zinc/66/04/92/431660492.db2.gz SZPSHPJHDWXZBS-UHFFFAOYSA-N 2 0 311.429 2.879 20 0 DFADRP CC[C@@H]1C[N@H+](Cc2ccc(OC[C@@H]3CCCO3)cc2)CC[C@@H]1[NH3+] ZINC000647499017 431608640 /nfs/dbraw/zinc/60/86/40/431608640.db2.gz WYZRSBNXSMQRJW-NEWSRXKRSA-N 2 0 318.461 2.804 20 0 DFADRP CCO[C@@H]1CN(Cc2cc(Cl)cc3cccnc32)C[C@H]1C[NH3+] ZINC000650714556 431660609 /nfs/dbraw/zinc/66/06/09/431660609.db2.gz NHLXPXORWPYAOB-GDBMZVCRSA-N 2 0 319.836 2.684 20 0 DFADRP CC[N@H+](Cc1ccc(OCC[NH+](C)C)cc1)[C@@H]1CCC[NH2+]CC1 ZINC000647521657 431614942 /nfs/dbraw/zinc/61/49/42/431614942.db2.gz SSWDJRRQUWPQSR-GOSISDBHSA-N 3 0 319.493 2.591 20 0 DFADRP c1cc(N2CCC([NH2+][C@@H]3CCC[C@H]4OCC[C@H]43)CC2)cc[nH+]1 ZINC000297320359 280469555 /nfs/dbraw/zinc/46/95/55/280469555.db2.gz CFUYKNRXOHUPHW-RCCFBDPRSA-N 2 0 301.434 2.598 20 0 DFADRP CN(C)c1nccc2cc(NC(=O)[C@H]3CCCCN3C)ccc21 ZINC000650588522 431623082 /nfs/dbraw/zinc/62/30/82/431623082.db2.gz AGBGWLXTJIWYHA-MRXNPFEDSA-N 2 0 312.417 2.724 20 0 DFADRP C[C@]1(C[NH+]2CCC(OCc3ccccc3F)CC2)CC[NH2+]C1 ZINC000647538539 431623278 /nfs/dbraw/zinc/62/32/78/431623278.db2.gz XBCBKJKMTZOVBO-SFHVURJKSA-N 2 0 306.425 2.806 20 0 DFADRP [NH3+][C@@H]1CCO[C@H]1C1CC[NH+](Cc2ccccc2C2CC2)CC1 ZINC000647544955 431623687 /nfs/dbraw/zinc/62/36/87/431623687.db2.gz MMJKRTNSYZBWAR-MOPGFXCFSA-N 2 0 300.446 2.892 20 0 DFADRP Cc1cccn2c(C[N@@H+]3CCC[C@@H]([C@H]4CCC[NH2+]C4)C3)cnc12 ZINC000647543405 431624268 /nfs/dbraw/zinc/62/42/68/431624268.db2.gz MUOPTNOKKDEAHL-DLBZAZTESA-N 2 0 312.461 2.854 20 0 DFADRP COc1cccc(C[N@@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)c1OC ZINC000647543227 431624506 /nfs/dbraw/zinc/62/45/06/431624506.db2.gz JRWOYECSDBXAGS-HZPDHXFCSA-N 2 0 318.461 2.915 20 0 DFADRP CN(C)c1ccccc1C[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647543290 431624658 /nfs/dbraw/zinc/62/46/58/431624658.db2.gz KPOUWPKPFTVTSQ-IAGOWNOFSA-N 2 0 301.478 2.964 20 0 DFADRP COc1ccc(C[N@@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)cc1OC ZINC000647543910 431624842 /nfs/dbraw/zinc/62/48/42/431624842.db2.gz UJGUOSIYLMFBOP-IAGOWNOFSA-N 2 0 318.461 2.915 20 0 DFADRP Fc1cccn2cc(C[N@@H+]3CCC[C@H]([C@@H]4CCC[NH2+]C4)C3)nc12 ZINC000647543749 431625864 /nfs/dbraw/zinc/62/58/64/431625864.db2.gz RPKKHWNNXBSEJZ-CABCVRRESA-N 2 0 316.424 2.685 20 0 DFADRP CCOc1cc(C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)ccc1OC ZINC000647548864 431628061 /nfs/dbraw/zinc/62/80/61/431628061.db2.gz YQHJCAIHBHFBAL-ARFHVFGLSA-N 2 0 304.434 2.572 20 0 DFADRP C[C@H]([NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)c1cccc(-n2cccn2)c1 ZINC000647550184 431629135 /nfs/dbraw/zinc/62/91/35/431629135.db2.gz DRLHZVCWBYKREU-XOYOTBSWSA-N 2 0 310.445 2.911 20 0 DFADRP C[C@@H]1CN(Cc2ccccc2)C[C@@H]1[NH2+]Cc1ccc(C[NH3+])cc1 ZINC000647553351 431630193 /nfs/dbraw/zinc/63/01/93/431630193.db2.gz VIGGSXGWKHXHCY-UZLBHIALSA-N 2 0 309.457 2.755 20 0 DFADRP CN(C)[C@@H](C[NH2+]Cc1ccnn1-c1cc[nH+]cc1)c1ccccc1 ZINC000657288213 431649329 /nfs/dbraw/zinc/64/93/29/431649329.db2.gz BWMDRLWFWHEYBE-IBGZPJMESA-N 2 0 321.428 2.660 20 0 DFADRP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCCN2Cc2ncc(Cl)s2)C1 ZINC000650722914 431664268 /nfs/dbraw/zinc/66/42/68/431664268.db2.gz DNYCTDGTKGKKCQ-GRYCIOLGSA-N 2 0 315.870 2.657 20 0 DFADRP CCOc1ccc(C[NH2+]C[C@H](C)N2CC[NH+](CC)CC2)c(C)c1 ZINC000657311348 431665875 /nfs/dbraw/zinc/66/58/75/431665875.db2.gz WRCPKXYGXBUJKD-KRWDZBQOSA-N 2 0 319.493 2.509 20 0 DFADRP C[C@@H](C[NH2+]Cc1ccnn1-c1cc[nH+]cc1)N(C)c1ccccc1 ZINC000657310316 431666485 /nfs/dbraw/zinc/66/64/85/431666485.db2.gz NNHZETGPEIZBIA-INIZCTEOSA-N 2 0 321.428 2.882 20 0 DFADRP C[C@H](C[NH2+]Cc1ccnn1-c1cc[nH+]cc1)N(C)c1ccccc1 ZINC000657310318 431666656 /nfs/dbraw/zinc/66/66/56/431666656.db2.gz NNHZETGPEIZBIA-MRXNPFEDSA-N 2 0 321.428 2.882 20 0 DFADRP CCOc1ccc(C[NH2+]C[C@@H](C)N2CC[NH+](CC)CC2)c(C)c1 ZINC000657311349 431667115 /nfs/dbraw/zinc/66/71/15/431667115.db2.gz WRCPKXYGXBUJKD-QGZVFWFLSA-N 2 0 319.493 2.509 20 0 DFADRP CC[N@@H+]1CC[C@H](C[NH2+]Cc2ccc(O[C@H](C)COC)cc2)C1 ZINC000657314823 431668279 /nfs/dbraw/zinc/66/82/79/431668279.db2.gz AZDRKGREBIHNID-NVXWUHKLSA-N 2 0 306.450 2.532 20 0 DFADRP COCc1cccc(C[N@@H+]2CCCC[C@@H]2[C@H]2C[C@H]([NH3+])CCO2)c1 ZINC000650724136 431669402 /nfs/dbraw/zinc/66/94/02/431669402.db2.gz YQOOQCVMCPSADF-GUDVDZBRSA-N 2 0 318.461 2.694 20 0 DFADRP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+][C@@H]1CCCc2c1ccc(=O)n2C ZINC000650724606 431669505 /nfs/dbraw/zinc/66/95/05/431669505.db2.gz JBZYSAGRRHWQPR-BFYDXBDKSA-N 2 0 317.477 2.663 20 0 DFADRP COC[C@H](C)Oc1ccc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000657313041 431669822 /nfs/dbraw/zinc/66/98/22/431669822.db2.gz GKYKRWAUULMTGY-RYQLBKOJSA-N 2 0 318.461 2.817 20 0 DFADRP CCCOc1ccc(C[NH2+]CCCN2CCC(O)CC2)c(C)c1 ZINC000657326344 431675307 /nfs/dbraw/zinc/67/53/07/431675307.db2.gz PDGDNODQLDZQTP-UHFFFAOYSA-N 2 0 320.477 2.720 20 0 DFADRP CCC[N@@H+]1CC[C@H](C[NH2+]Cc2ccc(O[C@H](C)COC)cc2)C1 ZINC000657325656 431675719 /nfs/dbraw/zinc/67/57/19/431675719.db2.gz PDTVYHRWMFUWBP-SJLPKXTDSA-N 2 0 320.477 2.922 20 0 DFADRP COc1ccc(C[C@H](C)[NH2+]CCC2(C[NH3+])CC2)c(C)c1OC ZINC000650746364 431677580 /nfs/dbraw/zinc/67/75/80/431677580.db2.gz AKDXJFGSDAQGAL-ZDUSSCGKSA-N 2 0 306.450 2.662 20 0 DFADRP Cn1nccc1[C@@H]1CCC[C@@H]([NH2+]Cc2ccc(C[NH3+])cc2F)C1 ZINC000650754222 431679094 /nfs/dbraw/zinc/67/90/94/431679094.db2.gz DICNVANQYRNWAK-GDBMZVCRSA-N 2 0 316.424 2.834 20 0 DFADRP c1nc2n(c1C[NH2+]CC1CC[NH+](Cc3ccccc3)CC1)CCC2 ZINC000657328692 431680990 /nfs/dbraw/zinc/68/09/90/431680990.db2.gz BNCVVCIQYGBRFW-UHFFFAOYSA-N 2 0 324.472 2.831 20 0 DFADRP COC[C@H](C)Oc1ccc(C[NH2+]C[C@H](C)Cn2ccnc2)cc1 ZINC000657334360 431682012 /nfs/dbraw/zinc/68/20/12/431682012.db2.gz XALKOPHEZNQISV-HOTGVXAUSA-N 2 0 317.433 2.723 20 0 DFADRP C[NH2+]Cc1ccccc1C[NH2+][C@H](C)c1cccc(-n2ccnn2)c1 ZINC000650755790 431682162 /nfs/dbraw/zinc/68/21/62/431682162.db2.gz MTGWUXZFMQQTIE-OAHLLOKOSA-N 2 0 321.428 2.838 20 0 DFADRP C[NH2+]Cc1ccccc1C[NH2+][C@@H](C)c1ccc(OC)c(O)c1 ZINC000650755818 431682191 /nfs/dbraw/zinc/68/21/91/431682191.db2.gz NOMPZNOPWFKONM-ZDUSSCGKSA-N 2 0 300.402 2.971 20 0 DFADRP Cc1ccccc1NC(=O)C[C@@H](C)[NH2+]CCC1CC[NH2+]CC1 ZINC000650764050 431684451 /nfs/dbraw/zinc/68/44/51/431684451.db2.gz PJBAYZQQXPYBML-OAHLLOKOSA-N 2 0 303.450 2.691 20 0 DFADRP CN(CCCC[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1)c1ccccc1 ZINC000647786329 431684628 /nfs/dbraw/zinc/68/46/28/431684628.db2.gz MXIAIZQHFHRVHW-RCCFBDPRSA-N 2 0 301.478 2.881 20 0 DFADRP CN(C)[C@H](C[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1)c1c(F)cccc1F ZINC000647786408 431685022 /nfs/dbraw/zinc/68/50/22/431685022.db2.gz OJHPXRKHXJXWFA-VMUDFCTBSA-N 2 0 323.431 2.545 20 0 DFADRP C[C@H]1CN(Cc2ccccc2)CC[C@H]1[NH2+]CCC1CC[NH2+]CC1 ZINC000650763979 431686145 /nfs/dbraw/zinc/68/61/45/431686145.db2.gz NKYRMZHSUUGYIM-FXAWDEMLSA-N 2 0 315.505 2.876 20 0 DFADRP Brc1ccccc1CC[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000647788839 431686945 /nfs/dbraw/zinc/68/69/45/431686945.db2.gz SJJLSMCXGULWOR-RBSFLKMASA-N 2 0 323.278 2.969 20 0 DFADRP c1cc(C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)cc(N2CCCCC2)n1 ZINC000647789968 431687380 /nfs/dbraw/zinc/68/73/80/431687380.db2.gz OSPUOKJMXYCFFW-KZNAEPCWSA-N 2 0 314.477 2.550 20 0 DFADRP Fc1ccc(N2CC[C@H]([NH2+][C@@H]3CC[C@H]4C[NH2+]C[C@@H]4C3)C2)c(F)c1 ZINC000647790100 431687589 /nfs/dbraw/zinc/68/75/89/431687589.db2.gz RJPNVVJJXXPVPZ-UGQVUOCMSA-N 2 0 321.415 2.521 20 0 DFADRP Clc1cccc(N2CC[C@H]([NH2+][C@@H]3CC[C@@H]4C[NH2+]C[C@H]4C3)C2)c1 ZINC000647788684 431687644 /nfs/dbraw/zinc/68/76/44/431687644.db2.gz ONSRTFGUJAFMLZ-SRABZTEZSA-N 2 0 319.880 2.896 20 0 DFADRP COc1ccc(C(C)(C)C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000647791993 431687721 /nfs/dbraw/zinc/68/77/21/431687721.db2.gz RCQGBTREYSOVIZ-ZMSDIMECSA-N 2 0 302.462 2.951 20 0 DFADRP c1cc(C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)cc(C[NH+]2CCCC2)c1 ZINC000647788912 431687755 /nfs/dbraw/zinc/68/77/55/431687755.db2.gz VGHRDNOXFFUXQU-VAMGGRTRSA-N 3 0 313.489 2.760 20 0 DFADRP CC(C)Oc1ccc(CC[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC000647788896 431688046 /nfs/dbraw/zinc/68/80/46/431688046.db2.gz UXYOEBVBSHXJQM-OKZBNKHCSA-N 2 0 302.462 2.994 20 0 DFADRP Fc1cccc(OC(F)F)c1C[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000647789320 431688167 /nfs/dbraw/zinc/68/81/67/431688167.db2.gz APFZPFKLDVLQOY-QJPTWQEYSA-N 2 0 314.351 2.905 20 0 DFADRP COc1ccccc1OC[C@H](C)C[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000647793569 431689208 /nfs/dbraw/zinc/68/92/08/431689208.db2.gz APCVNULAHUQUEK-QBPKDAKJSA-N 2 0 318.461 2.688 20 0 DFADRP Clc1cc2c(c(C[NH2+][C@@H]3CC[C@H]4C[NH2+]C[C@@H]4C3)c1)OCC2 ZINC000647793671 431689440 /nfs/dbraw/zinc/68/94/40/431689440.db2.gz DNYXQEZNRXFGFA-HEHGZKQESA-N 2 0 306.837 2.753 20 0 DFADRP C[C@H]([NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)c1ccc(Br)cn1 ZINC000647796664 431691325 /nfs/dbraw/zinc/69/13/25/431691325.db2.gz INNRIWIMVWUAQU-KZVDOYCCSA-N 2 0 324.266 2.883 20 0 DFADRP c1ccc2c(c1)O[C@H](CC[NH2+][C@@H]1CC[C@H]3C[NH2+]C[C@@H]3C1)CS2 ZINC000647801111 431691987 /nfs/dbraw/zinc/69/19/87/431691987.db2.gz OGGYKVISFJMPMF-CAOSSQGBSA-N 2 0 318.486 2.908 20 0 DFADRP CCCOc1ccc(C[NH2+]C[C@@H](C)N2CC[NH+](C)CC2)c(C)c1 ZINC000657349372 431692079 /nfs/dbraw/zinc/69/20/79/431692079.db2.gz RRWGIITUYMBVGT-QGZVFWFLSA-N 2 0 319.493 2.509 20 0 DFADRP c1ccc2c(c1)O[C@H](C[NH2+][C@@H]1CC[C@H]3C[NH2+]C[C@@H]3C1)CS2 ZINC000647800568 431692258 /nfs/dbraw/zinc/69/22/58/431692258.db2.gz FNVPEANBNGZNSY-BYNSBNAKSA-N 2 0 304.459 2.517 20 0 DFADRP CCC[NH+]1CCC(C[NH2+]Cc2cc(C(F)(F)F)nn2C)CC1 ZINC000657348160 431692906 /nfs/dbraw/zinc/69/29/06/431692906.db2.gz MNYLFFVHMXCBIZ-UHFFFAOYSA-N 2 0 318.387 2.651 20 0 DFADRP C[C@H]([NH2+]CC[C@@H]1CSc2ccccc2O1)[C@H]1CCC[NH2+]C1 ZINC000647801621 431694686 /nfs/dbraw/zinc/69/46/86/431694686.db2.gz ZRZWYHUJDWDORE-SOUVJXGZSA-N 2 0 306.475 2.908 20 0 DFADRP COCCc1nc(C)c([C@@H](C)[NH2+]Cc2ccc(C[NH3+])cc2)s1 ZINC000647803151 431694795 /nfs/dbraw/zinc/69/47/95/431694795.db2.gz IDBLWYDVLQGPES-GFCCVEGCSA-N 2 0 319.474 2.950 20 0 DFADRP C[C@H]([NH3+])C1CC[NH+](Cc2ccn(-c3cccc(F)c3)n2)CC1 ZINC000647832468 431701425 /nfs/dbraw/zinc/70/14/25/431701425.db2.gz GBIKXOHLXOJLIW-ZDUSSCGKSA-N 2 0 302.397 2.571 20 0 DFADRP C[C@@H]([NH3+])C1CC[NH+](Cc2ccn(-c3cccc(F)c3)n2)CC1 ZINC000647832467 431701584 /nfs/dbraw/zinc/70/15/84/431701584.db2.gz GBIKXOHLXOJLIW-CYBMUJFWSA-N 2 0 302.397 2.571 20 0 DFADRP CCCCN(C)CC[NH2+]C[C@@H]1CCCO[C@H]1c1ccnn1CC ZINC000657369416 431706992 /nfs/dbraw/zinc/70/69/92/431706992.db2.gz FPEYZIJMNOMNEJ-FUHWJXTLSA-N 2 0 322.497 2.692 20 0 DFADRP C[C@H]([NH3+])[C@H]1CN(CCCOc2cccc3ccccc32)CCO1 ZINC000647864353 431711636 /nfs/dbraw/zinc/71/16/36/431711636.db2.gz UVPQAQLOAUZPDK-HNAYVOBHSA-N 2 0 314.429 2.657 20 0 DFADRP C[C@H]([NH3+])[C@@H]1CN(CCCSc2ccccc2Cl)CCO1 ZINC000647863585 431711904 /nfs/dbraw/zinc/71/19/04/431711904.db2.gz FNYVPKGOLLBNBE-JSGCOSHPSA-N 2 0 314.882 2.870 20 0 DFADRP C[C@H]([NH3+])[C@H]1CN(CCCOc2ccc(C(C)(C)C)cc2)CCO1 ZINC000647861891 431712006 /nfs/dbraw/zinc/71/20/06/431712006.db2.gz JGFCNZIJDNIFFK-MAUKXSAKSA-N 2 0 320.477 2.801 20 0 DFADRP COc1cc(C)c(C[NH2+]Cc2ccc(C[NH3+])cc2F)c(C)n1 ZINC000650717500 431662849 /nfs/dbraw/zinc/66/28/49/431662849.db2.gz CLJWTKYDYHQJIZ-UHFFFAOYSA-N 2 0 303.381 2.595 20 0 DFADRP Cc1[nH]c2ncnc(N3CCC[C@H]([C@@H]4CCC[NH2+]C4)C3)c2c1C ZINC000647708397 431663199 /nfs/dbraw/zinc/66/31/99/431663199.db2.gz KWHHFLQKDYERCG-CABCVRRESA-N 2 0 313.449 2.791 20 0 DFADRP C[NH2+]Cc1ccccc1C[NH2+]Cc1cnn(Cc2ccccc2)c1 ZINC000650718369 431663293 /nfs/dbraw/zinc/66/32/93/431663293.db2.gz ISVBDEWHBSQPGQ-UHFFFAOYSA-N 2 0 320.440 2.941 20 0 DFADRP O=C(CC[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1)NCC1CCCCC1 ZINC000647903455 431724609 /nfs/dbraw/zinc/72/46/09/431724609.db2.gz JKHRMFNMONCGAT-ROUUACIJSA-N 2 0 321.509 2.537 20 0 DFADRP CC[N@@H+]1CC[C@H](CNCc2ccc3ccc(F)c(F)c3n2)C1 ZINC000647925135 431730385 /nfs/dbraw/zinc/73/03/85/431730385.db2.gz ONIHOACNSRQAOD-GFCCVEGCSA-N 2 0 305.372 2.944 20 0 DFADRP CC[C@@H]1C[N@H+](CCCc2nc(-c3ccccc3)no2)CC[C@@H]1[NH3+] ZINC000647939037 431739615 /nfs/dbraw/zinc/73/96/15/431739615.db2.gz ZNBPCISDJRXONX-ZBFHGGJFSA-N 2 0 314.433 2.728 20 0 DFADRP CC[N@H+](C)C[C@H](O)C[NH+]1CCC(CCc2ccc(C)cc2)CC1 ZINC000647956509 431747622 /nfs/dbraw/zinc/74/76/22/431747622.db2.gz WJQHFROYCWYHKW-FQEVSTJZSA-N 2 0 318.505 2.952 20 0 DFADRP C[C@]1(C[NH2+]Cc2ccnn2-c2cc[nH+]cc2)CCO[C@@H]1C1CC1 ZINC000657438334 431753477 /nfs/dbraw/zinc/75/34/77/431753477.db2.gz OZWKRNZSJZQJFX-QZTJIDSGSA-N 2 0 312.417 2.562 20 0 DFADRP CCC[N@H+](C[C@H](O)C[NH+](C)C(C)C)[C@@H]1C[C@H](OCC)C1(C)C ZINC000647965031 431755567 /nfs/dbraw/zinc/75/55/67/431755567.db2.gz COTMOYJGBUNMNB-ZACQAIPSSA-N 2 0 314.514 2.603 20 0 DFADRP c1cc(CNC[C@H]2CC[N@H+](Cc3ccccc3)C2)n(CC2CC2)n1 ZINC000657453408 431760693 /nfs/dbraw/zinc/76/06/93/431760693.db2.gz XBOJTSKYBZZUIJ-LJQANCHMSA-N 2 0 324.472 2.905 20 0 DFADRP Fc1ccccc1OCC[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647975880 431760959 /nfs/dbraw/zinc/76/09/59/431760959.db2.gz HDVWKRKPZAADAZ-HOTGVXAUSA-N 2 0 306.425 2.916 20 0 DFADRP O=C(CC[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1)Nc1ccccc1 ZINC000647976767 431761227 /nfs/dbraw/zinc/76/12/27/431761227.db2.gz TZMZOARAASKXLD-DLBZAZTESA-N 2 0 315.461 2.727 20 0 DFADRP Fc1cccc(-n2ccc(C[NH+]3CCC4(CC[NH2+]C4)CC3)n2)c1 ZINC000647974829 431761743 /nfs/dbraw/zinc/76/17/43/431761743.db2.gz UAGWYQXTHAQXPC-UHFFFAOYSA-N 2 0 314.408 2.587 20 0 DFADRP Fc1ccc(OCC[N@@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)cc1 ZINC000647977103 431762450 /nfs/dbraw/zinc/76/24/50/431762450.db2.gz XVDVSIRFKHEDRX-JKSUJKDBSA-N 2 0 306.425 2.916 20 0 DFADRP O=C(C[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1)NC1CCCCCC1 ZINC000647975268 431762606 /nfs/dbraw/zinc/76/26/06/431762606.db2.gz TYYQAXMLQZJDPP-DLBZAZTESA-N 2 0 321.509 2.537 20 0 DFADRP CC(C)C[C@H](C)N(C)C(=O)C[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647978282 431762865 /nfs/dbraw/zinc/76/28/65/431762865.db2.gz PIBJBXGVHOKFAM-OKZBNKHCSA-N 2 0 323.525 2.591 20 0 DFADRP COc1cccc(OCC[N@@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)c1 ZINC000647977753 431763320 /nfs/dbraw/zinc/76/33/20/431763320.db2.gz HBUHENBBHYYUSQ-DLBZAZTESA-N 2 0 318.461 2.786 20 0 DFADRP c1cc(-c2noc(C[N@@H+]3CCC[C@@H]([C@H]4CCC[NH2+]C4)C3)n2)co1 ZINC000647977775 431763370 /nfs/dbraw/zinc/76/33/70/431763370.db2.gz HMLKRPKHDQWCAD-UONOGXRCSA-N 2 0 316.405 2.541 20 0 DFADRP CCCN(CC)CC[NH2+]C[C@@H]1CCCO[C@H]1c1ccnn1CC ZINC000657381782 431714938 /nfs/dbraw/zinc/71/49/38/431714938.db2.gz CDKBAFZBUNXRQE-FUHWJXTLSA-N 2 0 322.497 2.692 20 0 DFADRP COc1ccc(CC[N@H+](CC(C)C)C[C@@H]2CC[NH2+]C2)cc1OC ZINC000647885908 431719098 /nfs/dbraw/zinc/71/90/98/431719098.db2.gz JUUYDFGREIWIOJ-QGZVFWFLSA-N 2 0 320.477 2.814 20 0 DFADRP CCOc1ccc(C[NH2+]CCN2CCC(OC)CC2)c(C)c1 ZINC000657390811 431719885 /nfs/dbraw/zinc/71/98/85/431719885.db2.gz HZRCTZSPVILRCJ-UHFFFAOYSA-N 2 0 306.450 2.594 20 0 DFADRP CCO[C@@H](CC[NH+](C)C)C[NH2+]Cc1ccc(F)c(F)c1F ZINC000657388805 431720574 /nfs/dbraw/zinc/72/05/74/431720574.db2.gz GKTZUBBGMAOJKZ-LBPRGKRZSA-N 2 0 304.356 2.550 20 0 DFADRP C[C@H]1CC[C@@H]([NH2+]CC2CC[NH+](C3CCOCC3)CC2)CS1 ZINC000657537335 431799976 /nfs/dbraw/zinc/79/99/76/431799976.db2.gz HYJLTQCNIATHEO-GOEBONIOSA-N 2 0 312.523 2.751 20 0 DFADRP C[C@H]1C[N@H+](Cc2ccc(OCC[NH+](C)C)cc2)CC2(CCC2)O1 ZINC000648074243 431807715 /nfs/dbraw/zinc/80/77/15/431807715.db2.gz GJBATJJYDNEHBE-INIZCTEOSA-N 2 0 318.461 2.770 20 0 DFADRP C[C@@H](CN(C)CCC[NH+](C)C)[NH2+]Cc1cc2ccccc2[nH]1 ZINC000657572759 431814591 /nfs/dbraw/zinc/81/45/91/431814591.db2.gz FGFKCXBLGRVEDP-HNNXBMFYSA-N 2 0 302.466 2.530 20 0 DFADRP C[C@@H](CN(C)CCC[NH+](C)C)[NH2+]Cc1ccc([C@@H]2C[C@H]2C)o1 ZINC000657573678 431815137 /nfs/dbraw/zinc/81/51/37/431815137.db2.gz OMAYQHDSEDUCGJ-HLLBOEOZSA-N 2 0 307.482 2.765 20 0 DFADRP Cc1ccccc1C[C@@H](C)[NH2+][C@@H](C)CN(C)CCC[NH+](C)C ZINC000657573610 431815371 /nfs/dbraw/zinc/81/53/71/431815371.db2.gz RAICWBKKVOMROF-MSOLQXFVSA-N 2 0 305.510 2.788 20 0 DFADRP C[C@@H]1C[C@@H](CC[NH2+]Cc2ccnn2-c2cc[nH+]cc2)C[C@H](C)O1 ZINC000657462058 431765937 /nfs/dbraw/zinc/76/59/37/431765937.db2.gz CDVTYWLROYTYJX-MUJYYYPQSA-N 2 0 314.433 2.951 20 0 DFADRP CO[C@@H](C[NH2+]Cc1ccnn1-c1cc[nH+]cc1)Cc1ccccc1 ZINC000657480754 431776949 /nfs/dbraw/zinc/77/69/49/431776949.db2.gz VITVJCKHOBFYHE-LJQANCHMSA-N 2 0 322.412 2.615 20 0 DFADRP C[NH+](C)C[C@H](NC(=O)C1CCC([NH3+])CC1)c1ccc(Cl)cc1 ZINC000648154036 431827272 /nfs/dbraw/zinc/82/72/72/431827272.db2.gz TWCCJCHXSXCXAQ-BCLQGDPASA-N 2 0 323.868 2.576 20 0 DFADRP Cc1ccc2c(c1)[C@H]([NH2+]C[C@H](O)C[NH+]1CCCCC1)[C@H](C)C2 ZINC000180211239 281120017 /nfs/dbraw/zinc/12/00/17/281120017.db2.gz WQWNLADBUPLRFU-HHXXYDBFSA-N 2 0 302.462 2.665 20 0 DFADRP CCC(CC)(C[NH3+])C(=O)NC[C@H]([NH3+])c1ccc(C(C)C)cc1 ZINC000262064896 282071490 /nfs/dbraw/zinc/07/14/90/282071490.db2.gz WFVWAPCVKQBLRQ-INIZCTEOSA-N 2 0 305.466 2.691 20 0 DFADRP CCC[N@H+](CC)Cc1ccc(C(=O)N[C@H]2CC[NH+](CC)C2)cc1 ZINC000412841982 289099975 /nfs/dbraw/zinc/09/99/75/289099975.db2.gz NRKJIQVTYPFYCQ-SFHVURJKSA-N 2 0 317.477 2.743 20 0 DFADRP CC(C)[C@](C)(C[NH3+])NC(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C ZINC000415792635 289138977 /nfs/dbraw/zinc/13/89/77/289138977.db2.gz SKELNRROFFKFGL-AEFFLSMTSA-N 2 0 318.465 2.730 20 0 DFADRP CC(C)[C@@](C)(C[NH3+])NC(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C ZINC000415792637 289139015 /nfs/dbraw/zinc/13/90/15/289139015.db2.gz SKELNRROFFKFGL-SJLPKXTDSA-N 2 0 318.465 2.730 20 0 DFADRP C[NH+](C)Cc1cccc(NC(=O)N2CCC[C@H]([NH+](C)C)CC2)c1 ZINC000369355910 289226091 /nfs/dbraw/zinc/22/60/91/289226091.db2.gz ZEWZYAASCSMRJE-KRWDZBQOSA-N 2 0 318.465 2.696 20 0 DFADRP C[C@H](C(=O)N1CCC([N@@H+]2CCC[C@H]2C)CC1)[NH+]1CCCCCC1 ZINC000125280391 289262299 /nfs/dbraw/zinc/26/22/99/289262299.db2.gz SICQIBCDVWHQNC-IAGOWNOFSA-N 2 0 321.509 2.726 20 0 DFADRP C[C@H](C(=O)N1CCCC[C@H]([NH+]2CCCC2)C1)[NH+]1CCCCCC1 ZINC000074590438 289268483 /nfs/dbraw/zinc/26/84/83/289268483.db2.gz OYQLBGVFTPSTNL-MSOLQXFVSA-N 2 0 321.509 2.728 20 0 DFADRP C[C@H]([NH2+][C@@H]1C[C@H](C)[N@H+](C)C[C@H]1C)c1ccc([S@](C)=O)cc1 ZINC000271564871 290030998 /nfs/dbraw/zinc/03/09/98/290030998.db2.gz UWHSYZQLWIHRMI-KYHSBEPHSA-N 2 0 308.491 2.803 20 0 DFADRP C[C@H]([NH2+][C@H]1CCC[C@@H]([NH+](C)C)C1)c1ccccc1-n1ccnn1 ZINC000286227387 290048248 /nfs/dbraw/zinc/04/82/48/290048248.db2.gz SRRNNYDBFSZZQD-HRCADAONSA-N 2 0 313.449 2.791 20 0 DFADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CC23CCOCC3)[C@H](C)C1 ZINC000437015011 297052812 /nfs/dbraw/zinc/05/28/12/297052812.db2.gz BSTTZQULBMWCAU-SQNIBIBYSA-N 2 0 324.509 2.530 20 0 DFADRP CC[NH+]1CCC([NH2+]C[C@]2(O)CCC[C@@H](C(F)(F)F)C2)CC1 ZINC000437111070 297054414 /nfs/dbraw/zinc/05/44/14/297054414.db2.gz ONRCISKXADGYRG-OCCSQVGLSA-N 2 0 308.388 2.544 20 0 DFADRP C[NH+]1CCN(Cc2ccc(C[NH2+]CCC(C)(C)C)cc2)CC1 ZINC000438088474 297079164 /nfs/dbraw/zinc/07/91/64/297079164.db2.gz KAVRSWLNMFJXSQ-UHFFFAOYSA-N 2 0 303.494 2.960 20 0 DFADRP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1NC(=O)CC[C@@H]1CCC[NH2+]1 ZINC000494671199 299878734 /nfs/dbraw/zinc/87/87/34/299878734.db2.gz BZLYYFIOFPELMF-ULQDDVLXSA-N 2 0 309.498 2.535 20 0 DFADRP CCO[C@@H](CC[NH+](C)C)C[NH2+][C@@H](C)c1ccc(F)c(OC)c1 ZINC000154184567 295293948 /nfs/dbraw/zinc/29/39/48/295293948.db2.gz YRASRIMEWMMLSY-ZFWWWQNUSA-N 2 0 312.429 2.842 20 0 DFADRP C[C@@H]([NH2+]CCCC[NH+]1CCN(C)CC1)c1cc2c(s1)CCC2 ZINC000154391946 295299063 /nfs/dbraw/zinc/29/90/63/295299063.db2.gz XUWCMBLIIQERHK-OAHLLOKOSA-N 2 0 321.534 2.915 20 0 DFADRP [NH3+][C@@H]1CCC[C@H](C(=O)NC[C@@H](c2cccs2)[NH+]2CCCC2)C1 ZINC000237898345 295310956 /nfs/dbraw/zinc/31/09/56/295310956.db2.gz XAQSUBNKXCIKRP-ZNMIVQPWSA-N 2 0 321.490 2.519 20 0 DFADRP COc1cccc([C@H](CNC2CC[NH+](C3CC3)CC2)[NH+](C)C)c1 ZINC000298239412 295326178 /nfs/dbraw/zinc/32/61/78/295326178.db2.gz CBHKRNYMORDIKG-IBGZPJMESA-N 2 0 317.477 2.514 20 0 DFADRP C[C@@H]1CCC[N@H+](CCCC[NH2+]C2CCN(CC(F)F)CC2)C1 ZINC000157927149 295355581 /nfs/dbraw/zinc/35/55/81/295355581.db2.gz GNMKTJXUXSEAOD-OAHLLOKOSA-N 2 0 317.468 2.818 20 0 DFADRP CCC[C@@H]([NH2+]C1CCN(CC[NH+](C)C)CC1)c1ccccn1 ZINC000158598192 295364786 /nfs/dbraw/zinc/36/47/86/295364786.db2.gz BPXKTYZLTYQQAF-GOSISDBHSA-N 2 0 304.482 2.538 20 0 DFADRP C[C@@H]1C[N@H+](C)CC[C@@H]1NC[C@@H]1CCC[NH+]1CC1CCCCC1 ZINC000159227110 295374084 /nfs/dbraw/zinc/37/40/84/295374084.db2.gz YSKGOBHORPZWPJ-NEWSRXKRSA-N 2 0 307.526 2.961 20 0 DFADRP C[C@H](CC[NH+](C)C)[NH2+]C1CCN(Cc2cccc(F)c2)CC1 ZINC000363782611 295443864 /nfs/dbraw/zinc/44/38/64/295443864.db2.gz KRUZXQGBVRWSFM-OAHLLOKOSA-N 2 0 307.457 2.720 20 0 DFADRP CC[NH+](CC)Cc1ccccc1CNC(=O)[C@H]1CCC[NH2+][C@H]1C ZINC000395298303 295483244 /nfs/dbraw/zinc/48/32/44/295483244.db2.gz OGWUXEYKXBIATB-YJBOKZPZSA-N 2 0 317.477 2.533 20 0 DFADRP Brc1cc(C[NH2+]CC[C@@H]2CCC[NH2+]C2)cs1 ZINC000398024412 295489659 /nfs/dbraw/zinc/48/96/59/295489659.db2.gz BQMGEQWJAUEOMR-JTQLQIEISA-N 2 0 303.269 2.990 20 0 DFADRP C[C@@H]([NH2+]CCc1ccc(Br)s1)[C@H]1CC[NH2+]C1 ZINC000400360522 295497337 /nfs/dbraw/zinc/49/73/37/295497337.db2.gz NLNRRQUURLLENQ-ZJUUUORDSA-N 2 0 303.269 2.641 20 0 DFADRP COc1ccc([C@H](C)[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)cc1OC ZINC000400972679 295499018 /nfs/dbraw/zinc/49/90/18/295499018.db2.gz PZOSCFULIGSYAB-ARLBYUKCSA-N 2 0 304.434 2.743 20 0 DFADRP C[C@@H]([NH2+]CC[C@@H](C)CC[NH2+][C@H](C)[C@@H]1CCCO1)[C@H]1CCCO1 ZINC000411535543 295545161 /nfs/dbraw/zinc/54/51/61/295545161.db2.gz PRHDDBHXUITZCI-ZKXLYKBJSA-N 2 0 312.498 2.717 20 0 DFADRP CCC[C@H]([NH2+]CC(=O)NC1CC[NH+](C(C)C)CC1)C(C)(C)C ZINC000411795138 295559587 /nfs/dbraw/zinc/55/95/87/295559587.db2.gz JSKNBQAWJZOTCL-INIZCTEOSA-N 2 0 311.514 2.780 20 0 DFADRP CC[NH+](CC)[C@@H](C(=O)NCC1([NH+](C)C)CCC1)c1ccccc1 ZINC000438529653 297097148 /nfs/dbraw/zinc/09/71/48/297097148.db2.gz QHBUTIODVXSGEA-QGZVFWFLSA-N 2 0 317.477 2.670 20 0 DFADRP C[C@H]1C[NH+](CCC2CC[NH+](CC3(O)CCCC3)CC2)C[C@H](C)O1 ZINC000438575947 297099628 /nfs/dbraw/zinc/09/96/28/297099628.db2.gz DNNSEVIRVJKWDV-IRXDYDNUSA-N 2 0 324.509 2.503 20 0 DFADRP Cc1cc(N2CCC([NH2+]C3CC[NH+](C(C)(C)C)CC3)CC2)n[nH]1 ZINC000439147371 297117137 /nfs/dbraw/zinc/11/71/37/297117137.db2.gz RUOQZMDZIOBYMG-UHFFFAOYSA-N 2 0 319.497 2.539 20 0 DFADRP C[N@@H+]1CCC[C@@H]1CC[NH+]1C[C@@H]2CCC[C@@]2(C(=O)OC(C)(C)C)C1 ZINC000439484615 297128637 /nfs/dbraw/zinc/12/86/37/297128637.db2.gz FYAHDTZYXZFHEA-FRQCXROJSA-N 2 0 322.493 2.915 20 0 DFADRP C[N@@H+]1CCC[C@H]1CC[NH+]1C[C@@H]2CCC[C@@]2(C(=O)OC(C)(C)C)C1 ZINC000439484617 297128686 /nfs/dbraw/zinc/12/86/86/297128686.db2.gz FYAHDTZYXZFHEA-TXPKVOOTSA-N 2 0 322.493 2.915 20 0 DFADRP CC[C@@H]1C[NH+](CC(C)C[N@@H+]2CCCO[C@H](CC)C2)CCCO1 ZINC000439486707 297128747 /nfs/dbraw/zinc/12/87/47/297128747.db2.gz MZOHQGJHPARPMA-QZTJIDSGSA-N 2 0 312.498 2.624 20 0 DFADRP C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)[C@@H]1CCC[NH+]1C1CCCC1 ZINC000439831013 297139554 /nfs/dbraw/zinc/13/95/54/297139554.db2.gz BKTRQRJBHQVFQI-JZXOWHBKSA-N 2 0 321.509 2.773 20 0 DFADRP CC[NH+](CC)C[C@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC000440256785 297148877 /nfs/dbraw/zinc/14/88/77/297148877.db2.gz CXQBIKJQWSCHBY-SJLPKXTDSA-N 2 0 321.509 2.584 20 0 DFADRP C[C@H](CCc1ccccc1)C[NH2+]CCN1CC[N@H+](C)C(C)(C)C1 ZINC000441339013 297179970 /nfs/dbraw/zinc/17/99/70/297179970.db2.gz GXFCFTQCTYKXQN-GOSISDBHSA-N 2 0 317.521 2.871 20 0 DFADRP CC(C)[C@@H](C[NH2+]C1CCC(C(F)F)CC1)N1CC[NH+](C)CC1 ZINC000442710411 297202156 /nfs/dbraw/zinc/20/21/56/297202156.db2.gz CNCONMACCAKJML-UYSNPLJNSA-N 2 0 317.468 2.672 20 0 DFADRP C[C@H]1C[N@H+](C)CC[C@@H]1NCC[NH+]1CCC2(CCCCC2)CC1 ZINC000442868239 297208846 /nfs/dbraw/zinc/20/88/46/297208846.db2.gz NJBLSFFJORPTCV-ROUUACIJSA-N 2 0 307.526 2.963 20 0 DFADRP CC[N@@H+]1CC[C@H](N(C)Cc2cc(C(F)(F)F)n[nH]2)[C@H](C)C1 ZINC000442886661 297209740 /nfs/dbraw/zinc/20/97/40/297209740.db2.gz TUKDYYSQFAFZTJ-PWSUYJOCSA-N 2 0 304.360 2.591 20 0 DFADRP C[C@@H](c1nc(-c2cccs2)no1)[N@@H+]1CCC[C@H](CC[NH3+])C1 ZINC000443056086 297213622 /nfs/dbraw/zinc/21/36/22/297213622.db2.gz CABZRZQBGXDROK-NWDGAFQWSA-N 2 0 306.435 2.920 20 0 DFADRP CC[N@@H+]1CC[C@H]([NH+](C)CCOc2cccc(OC)c2)C[C@@H]1C ZINC000443623708 297223074 /nfs/dbraw/zinc/22/30/74/297223074.db2.gz QRWZFTZUGJRAPY-HOTGVXAUSA-N 2 0 306.450 2.879 20 0 DFADRP CN(CC[N@@H+]1CC[C@H](C[NH+](C)CC2CC2)C1)c1ccccc1 ZINC000444270234 297234929 /nfs/dbraw/zinc/23/49/29/297234929.db2.gz NVDKQRLOEPNMOQ-GOSISDBHSA-N 2 0 301.478 2.787 20 0 DFADRP Cc1cnn(CC2CC[NH+](CCC[NH+]3CCCCC3)CC2)c1 ZINC000444627750 297242398 /nfs/dbraw/zinc/24/23/98/297242398.db2.gz YTMTWTTZWANDMH-UHFFFAOYSA-N 2 0 304.482 2.780 20 0 DFADRP CCc1ccccc1C[N@@H+]1CCN(C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000445805326 297267113 /nfs/dbraw/zinc/26/71/13/297267113.db2.gz JKIBWOGBBFIAHW-QGZVFWFLSA-N 2 0 315.505 2.849 20 0 DFADRP CN(CC[N@H+](C)Cc1ccc(F)cc1)CC1([NH+](C)C)CCC1 ZINC000445843684 297268665 /nfs/dbraw/zinc/26/86/65/297268665.db2.gz SXZHQZQPXWDKPM-UHFFFAOYSA-N 2 0 307.457 2.674 20 0 DFADRP C[C@@H]1C[C@@H](NC[C@@H](c2ccccc2)[NH+]2CCCC2)CC[N@@H+]1C ZINC000134068623 297284207 /nfs/dbraw/zinc/28/42/07/297284207.db2.gz JRHBUOZBHDNCLJ-NEWSRXKRSA-N 2 0 301.478 2.896 20 0 DFADRP CCOC1CC(O)(C[NH2+]C2CC[NH+]([C@@H]3CCC[C@@H](C)C3)CC2)C1 ZINC000446850379 297288754 /nfs/dbraw/zinc/28/87/54/297288754.db2.gz YPKOBHMBAXJYNL-BJMVHTGZSA-N 2 0 324.509 2.549 20 0 DFADRP C[NH+](C)C1CCN(CC[NH2+]Cc2ncc(C(C)(C)C)s2)CC1 ZINC000447940403 297326154 /nfs/dbraw/zinc/32/61/54/297326154.db2.gz NZIRWBXIFZQRAT-UHFFFAOYSA-N 2 0 324.538 2.556 20 0 DFADRP CC[C@@H](C(=O)NC[C@H]1CCC[N@H+](CC(C)C)C1)[NH+](CC)CC ZINC000448444911 297339642 /nfs/dbraw/zinc/33/96/42/297339642.db2.gz RJDDONNMLPKLTE-SJORKVTESA-N 2 0 311.514 2.591 20 0 DFADRP Cc1cccc(CC[NH+]2CCC(CC[NH+]3CCOCC3)CC2)c1 ZINC000449014987 297390891 /nfs/dbraw/zinc/39/08/91/297390891.db2.gz CMSGVECNPPGVHV-UHFFFAOYSA-N 2 0 316.489 2.972 20 0 DFADRP Cc1cccc(CC[N@@H+](C)CC2CC[NH+](C[C@H](C)O)CC2)c1 ZINC000449024839 297393308 /nfs/dbraw/zinc/39/33/08/297393308.db2.gz FHOAZFBICFYIFN-KRWDZBQOSA-N 2 0 304.478 2.562 20 0 DFADRP C[NH2+][C@H](CC(C)(C)C)C(=O)NCCCC[NH+]1CCC(C)CC1 ZINC000449083552 297402432 /nfs/dbraw/zinc/40/24/32/297402432.db2.gz CDNFHJJWBPXONR-MRXNPFEDSA-N 2 0 311.514 2.639 20 0 DFADRP C[NH2+][C@@H](CC(C)(C)C)C(=O)Nc1ccc(CC[NH+](C)C)cc1 ZINC000449117128 297408331 /nfs/dbraw/zinc/40/83/31/297408331.db2.gz NOPIILJKRPWDFT-INIZCTEOSA-N 2 0 305.466 2.753 20 0 DFADRP CC(C)(C)CC(C)(C)[NH+]1CCC([NH2+][C@H]2CCC(=O)NC2)CC1 ZINC000449133751 297410636 /nfs/dbraw/zinc/41/06/36/297410636.db2.gz FFABPIXQUSVGHT-HNNXBMFYSA-N 2 0 309.498 2.534 20 0 DFADRP C[C@H](C[C@H](C)O)[NH2+]C1CC[NH+]([C@H](C)Cc2ccccc2)CC1 ZINC000449233233 297426558 /nfs/dbraw/zinc/42/65/58/297426558.db2.gz KQDIOKFFZWSGNH-ZACQAIPSSA-N 2 0 304.478 2.831 20 0 DFADRP C/C=C\C[C@H](CO)[NH2+]C1CC[NH+]([C@@H](C)Cc2ccccc2)CC1 ZINC000449252734 297429881 /nfs/dbraw/zinc/42/98/81/297429881.db2.gz WEFDHURWKIRQGG-NKFSZRILSA-N 2 0 316.489 2.999 20 0 DFADRP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+]CC2(CCO)CC2)CC1 ZINC000449262132 297430972 /nfs/dbraw/zinc/43/09/72/297430972.db2.gz GPRYBBIROYVLIJ-QGZVFWFLSA-N 2 0 316.489 2.834 20 0 DFADRP CC(C)[C@H](CO)C[NH2+]C1CC[NH+]([C@@H](C)Cc2ccccc2)CC1 ZINC000449322493 297445674 /nfs/dbraw/zinc/44/56/74/297445674.db2.gz XNSJUUNEYGZUBQ-HKUYNNGSSA-N 2 0 318.505 2.936 20 0 DFADRP C[C@H](C(=O)N1CCCC[C@@H]([NH+]2CCCC2)C1)[NH+]1CCCCCC1 ZINC000074590446 298019809 /nfs/dbraw/zinc/01/98/09/298019809.db2.gz OYQLBGVFTPSTNL-QZTJIDSGSA-N 2 0 321.509 2.728 20 0 DFADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+][C@H](C)c2csc(C)c2)CC1 ZINC000453111993 298062584 /nfs/dbraw/zinc/06/25/84/298062584.db2.gz SFSWPNVSAFFZAL-GOEBONIOSA-N 2 0 309.523 2.981 20 0 DFADRP O[C@H](C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H]2CCC[C@@H]21)C(F)F ZINC000453123048 298065082 /nfs/dbraw/zinc/06/50/82/298065082.db2.gz FPVOWEALZRWCFT-WCXIOVBPSA-N 2 0 324.415 2.645 20 0 DFADRP O[C@@H]1CCC[C@@H]1[NH+]1CCC([NH2+][C@@H](C2CC2)C2CCCC2)CC1 ZINC000453173875 298068665 /nfs/dbraw/zinc/06/86/65/298068665.db2.gz ZEWVIXGAPIAWCU-IPMKNSEASA-N 2 0 306.494 2.923 20 0 DFADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]CC2(OC)CCCC2)[C@@H](C)C1 ZINC000453223185 298073104 /nfs/dbraw/zinc/07/31/04/298073104.db2.gz LONLVQWUYVPHCM-IRXDYDNUSA-N 2 0 312.498 2.672 20 0 DFADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]CCc2ncccc2C)[C@@H](C)C1 ZINC000453306786 298082023 /nfs/dbraw/zinc/08/20/23/298082023.db2.gz JFTKTEZJBNBLOH-HKUYNNGSSA-N 2 0 319.493 2.659 20 0 DFADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]CCc2ncccc2C)[C@H](C)C1 ZINC000453306800 298082271 /nfs/dbraw/zinc/08/22/71/298082271.db2.gz JFTKTEZJBNBLOH-MJGOQNOKSA-N 2 0 319.493 2.659 20 0 DFADRP CO[C@@H]1CCC[C@H]1[NH2+][C@@H](C)c1cccc(OCC[NH+](C)C)c1 ZINC000453331363 298083706 /nfs/dbraw/zinc/08/37/06/298083706.db2.gz TYHNRZDMHSCJLR-BMGDILEWSA-N 2 0 306.450 2.845 20 0 DFADRP CCC1(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)COC1 ZINC000453336545 298084447 /nfs/dbraw/zinc/08/44/47/298084447.db2.gz AHAQVQRQKIPRGJ-SJLPKXTDSA-N 2 0 302.462 2.913 20 0 DFADRP C[N@@H+]1CC[C@H]([NH2+][C@@H]2CCO[C@H](c3cccnc3)C2)[C@@H]2CCC[C@H]21 ZINC000453339409 298084651 /nfs/dbraw/zinc/08/46/51/298084651.db2.gz LWYQMTUDPTYEGO-SPOLIRPYSA-N 2 0 315.461 2.764 20 0 DFADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@@H]1CCC[C@H]1O ZINC000453364987 298087251 /nfs/dbraw/zinc/08/72/51/298087251.db2.gz CHFLDYRDHPIMHC-QXCFHYIPSA-N 2 0 302.462 2.648 20 0 DFADRP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCC1(CO)CC1 ZINC000453366993 298087282 /nfs/dbraw/zinc/08/72/82/298087282.db2.gz WOFRMKCVDUXFBF-WMZOPIPTSA-N 2 0 302.462 2.649 20 0 DFADRP C[C@H](CC(=O)N1CCCCCC1)[NH2+]CCCC[N@H+](C)C1CC1 ZINC000453397968 298090058 /nfs/dbraw/zinc/09/00/58/298090058.db2.gz KFJZZSTXUUTTNO-MRXNPFEDSA-N 2 0 309.498 2.632 20 0 DFADRP C[C@@H](Cc1ccccc1)[NH+]1CCC([NH2+][C@@H]2CCC[C@H]2O)CC1 ZINC000453408297 298090917 /nfs/dbraw/zinc/09/09/17/298090917.db2.gz NEBDKQQTZJDCJQ-KFKAGJAMSA-N 2 0 302.462 2.585 20 0 DFADRP Cc1cnc(CC[NH2+]C2CC[NH+]([C@H]3CCC[C@@H](C)C3)CC2)cn1 ZINC000453410121 298091727 /nfs/dbraw/zinc/09/17/27/298091727.db2.gz VASJIXKATFFTTI-BEFAXECRSA-N 2 0 316.493 2.960 20 0 DFADRP C[C@H]([NH2+]CCCC[N@H+](C)C1CC1)c1ccc(C(=O)N(C)C)cc1 ZINC000453419326 298092892 /nfs/dbraw/zinc/09/28/92/298092892.db2.gz YTSAPUZUSMUBDX-HNNXBMFYSA-N 2 0 317.477 2.913 20 0 DFADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CCc2ccc(C)cn2)[C@H](C)C1 ZINC000453439151 298095850 /nfs/dbraw/zinc/09/58/50/298095850.db2.gz VWAKJFRWCRNQEN-IEBWSBKVSA-N 2 0 319.493 2.659 20 0 DFADRP Cc1cc(C)c(NC(=O)N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c(C)n1 ZINC000455489588 298369101 /nfs/dbraw/zinc/36/91/01/298369101.db2.gz VRPDLMKKEDPXNE-HUUCEWRRSA-N 2 0 302.422 2.755 20 0 DFADRP CC[C@@H]([NH2+][C@H](C)CCC[NH3+])[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000496179427 300026369 /nfs/dbraw/zinc/02/63/69/300026369.db2.gz QZUXLYKIYRDNAR-RBSFLKMASA-N 2 0 313.486 2.882 20 0 DFADRP C[C@@H](C[NH2+][C@@H](C)[C@@H]1CCCN1C(=O)OC(C)(C)C)C[NH+](C)C ZINC000496419518 300060848 /nfs/dbraw/zinc/06/08/48/300060848.db2.gz QNCQAYULRLBABF-KKUMJFAQSA-N 2 0 313.486 2.562 20 0 DFADRP C[C@@H](CCC[NH3+])[NH2+][C@@H]1CCCN(C(=O)Oc2ccccc2)CC1 ZINC000496735949 300106270 /nfs/dbraw/zinc/10/62/70/300106270.db2.gz HWCSOLVFEMEFPJ-JKSUJKDBSA-N 2 0 319.449 2.757 20 0 DFADRP CCCC[NH+](CCCC)CC(=O)NC1CC[NH+](C(C)C)CC1 ZINC000511697284 300249933 /nfs/dbraw/zinc/24/99/33/300249933.db2.gz ABQFZKOSMDJACH-UHFFFAOYSA-N 2 0 311.514 2.878 20 0 DFADRP CC(C)C1CCC(C[NH2+]C[C@H](C)CN2CC[NH+](C)CC2)CC1 ZINC000512137928 300252541 /nfs/dbraw/zinc/25/25/41/300252541.db2.gz XBPXUIGBWDHZAX-VIQWUECVSA-N 2 0 309.542 2.922 20 0 DFADRP C[C@H]1C[N@H+](CCCCC(F)(F)F)CC[C@H]1N1CC[NH+](C)CC1 ZINC000371301054 300255536 /nfs/dbraw/zinc/25/55/36/300255536.db2.gz CWZANTKCSRPXML-LSDHHAIUSA-N 2 0 321.431 2.677 20 0 DFADRP COCC1([NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)CC1 ZINC000515365311 300303298 /nfs/dbraw/zinc/30/32/98/300303298.db2.gz WIQFXGWDHOFNFC-NNZMDNLPSA-N 2 0 300.446 2.951 20 0 DFADRP C[NH+](C)CCCN(CCC[NH+](C)C)CC1Cc2ccccc2C1 ZINC000516692350 300355921 /nfs/dbraw/zinc/35/59/21/300355921.db2.gz MNGPMSABSIEVLA-UHFFFAOYSA-N 2 0 317.521 2.607 20 0 DFADRP [NH3+][C@@H]1CCC[C@@H]([NH2+]Cc2ccc(OCC[NH+]3CCCC3)cc2)C1 ZINC000516743573 300357876 /nfs/dbraw/zinc/35/78/76/300357876.db2.gz XDJOCOKMXQJOJH-QZTJIDSGSA-N 3 0 317.477 2.521 20 0 DFADRP C[C@@H](Cc1cccs1)[NH2+]Cc1cc(C2CC[NH2+]CC2)no1 ZINC000516921903 300368761 /nfs/dbraw/zinc/36/87/61/300368761.db2.gz VQIBZXIHMWSHCY-LBPRGKRZSA-N 2 0 305.447 2.924 20 0 DFADRP CC[NH+](CC)[C@@H](CNC(=O)C[C@@H]1CCC[NH2+]C1)c1ccsc1 ZINC000520838225 300511379 /nfs/dbraw/zinc/51/13/79/300511379.db2.gz UKAXJUPJAPQURV-HOCLYGCPSA-N 2 0 323.506 2.637 20 0 DFADRP CC[NH+](CC)[C@H](CNC(=O)C[C@H]1CCC[NH2+]C1)c1ccsc1 ZINC000520838223 300511549 /nfs/dbraw/zinc/51/15/49/300511549.db2.gz UKAXJUPJAPQURV-GDBMZVCRSA-N 2 0 323.506 2.637 20 0 DFADRP Cc1noc(C2CCC([NH2+][C@@H]3CCC[C@H]3[C@H]3CCC[NH2+]3)CC2)n1 ZINC000521993216 300544004 /nfs/dbraw/zinc/54/40/04/300544004.db2.gz SEBCNRXCDWAKKW-IRKLFDGPSA-N 2 0 318.465 2.915 20 0 DFADRP CC[NH+]1CCN(c2ccc(C[NH2+][C@H](C)[C@@H]3CC34CC4)cn2)CC1 ZINC000527853908 300701657 /nfs/dbraw/zinc/70/16/57/300701657.db2.gz UOSSKGOFTFKKHU-WBVHZDCISA-N 2 0 314.477 2.502 20 0 DFADRP Cc1cccc([C@H]([NH2+][C@@H](C)CN2CC[NH+](C)CC2)C(C)C)c1 ZINC000527859250 300702776 /nfs/dbraw/zinc/70/27/76/300702776.db2.gz OOBIAEKUENIVLO-PKOBYXMFSA-N 2 0 303.494 2.918 20 0 DFADRP C[C@@H]1C[C@H](N[C@H]2CC[NH2+]C23CCC3)CC[N@@H+]1Cc1ccccc1 ZINC000530176567 301025623 /nfs/dbraw/zinc/02/56/23/301025623.db2.gz CBLNAJXYHCKADV-QRQLOZEOSA-N 2 0 313.489 2.914 20 0 DFADRP C[C@]1(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)COc2ccccc2O1 ZINC000530214261 301029446 /nfs/dbraw/zinc/02/94/46/301029446.db2.gz WLPDGJKZFVEREC-OLMMMNRUSA-N 2 0 316.445 2.727 20 0 DFADRP C[C@@H]1[C@@H](N[C@H]2CC[NH2+]C23CCC3)CCC[N@@H+]1Cc1ccccc1 ZINC000530216015 301029695 /nfs/dbraw/zinc/02/96/95/301029695.db2.gz LSFJFBSFSYNOBF-NEWSRXKRSA-N 2 0 313.489 2.914 20 0 DFADRP C[C@@H]([NH2+]CCc1cccc2c1OC(F)(F)O2)[C@H]1CCC[NH2+]C1 ZINC000530215274 301029750 /nfs/dbraw/zinc/02/97/50/301029750.db2.gz GGRAPGGTKLLZLN-YPMHNXCESA-N 2 0 312.360 2.528 20 0 DFADRP C(=C/c1ccccc1)\C[NH+]1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000530249310 301034251 /nfs/dbraw/zinc/03/42/51/301034251.db2.gz VAHNYLFITLJXBG-QTWIXLPOSA-N 2 0 300.446 2.790 20 0 DFADRP C[C@@H](CC1CCCCC1)C(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000530881037 301069905 /nfs/dbraw/zinc/06/99/05/301069905.db2.gz YIUPUFWSTIKQJJ-INIZCTEOSA-N 2 0 311.514 2.545 20 0 DFADRP CCC[NH+]1CCN(c2ccccc2C[NH2+]C[C@@H]2C[C@@H]2C)CC1 ZINC000531785873 301110111 /nfs/dbraw/zinc/11/01/11/301110111.db2.gz XUZPFIBQKMDIGO-WMZOPIPTSA-N 2 0 301.478 2.964 20 0 DFADRP COc1cc(C[NH2+][C@H]2CC[N@H+](C)C[C@H]2C)ccc1OC(F)F ZINC000531945247 301120445 /nfs/dbraw/zinc/12/04/45/301120445.db2.gz PBAUKEZNBSNDPY-YPMHNXCESA-N 2 0 314.376 2.726 20 0 DFADRP C[C@@H]1CC[N@H+](CCNC2CC[NH+]([C@@H]3CCCC[C@H]3C)CC2)C1 ZINC000531984235 301123158 /nfs/dbraw/zinc/12/31/58/301123158.db2.gz POAXBUUFVAYHEZ-ZHALLVOQSA-N 2 0 307.526 2.961 20 0 DFADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]CCc2ccc(C)o2)[C@H](C)C1 ZINC000532195814 301135811 /nfs/dbraw/zinc/13/58/11/301135811.db2.gz JCZNFLLDPLOLFZ-QAPCUYQASA-N 2 0 308.466 2.857 20 0 DFADRP CCN(CC)C(=O)C[C@H](C)[NH2+]CCC[N@H+](C)C1CCCCC1 ZINC000532197342 301136061 /nfs/dbraw/zinc/13/60/61/301136061.db2.gz HEHRLEAGXOGMCP-INIZCTEOSA-N 2 0 311.514 2.878 20 0 DFADRP C[NH+]1CCN(CCC[NH2+][C@H]2CCc3c2cccc3Cl)CC1 ZINC000532200496 301136406 /nfs/dbraw/zinc/13/64/06/301136406.db2.gz PSWVGBOBMWSNAZ-KRWDZBQOSA-N 2 0 307.869 2.554 20 0 DFADRP C[C@@H]([NH2+]C[C@@H]1CCC[N@H+](C)C1)c1cccc(N2CCOCC2)c1 ZINC000532506874 301157225 /nfs/dbraw/zinc/15/72/25/301157225.db2.gz XPILRHKBRGNMRD-SJORKVTESA-N 2 0 317.477 2.516 20 0 DFADRP C[C@@H](CN1CC[NH+](C)CC1)[NH2+][C@H]1CCCc2ccc(Cl)cc21 ZINC000534234248 301221189 /nfs/dbraw/zinc/22/11/89/301221189.db2.gz CWTKIFFHDNFMPO-KSSFIOAISA-N 2 0 321.896 2.943 20 0 DFADRP CCC(C)(C)[NH2+][C@@H](C)C(=O)Nc1cc(C[NH+](C)C)ccc1OC ZINC000534309150 301226547 /nfs/dbraw/zinc/22/65/47/301226547.db2.gz OXBSBIPTZDEWBZ-ZDUSSCGKSA-N 2 0 321.465 2.862 20 0 DFADRP Cn1ccnc1[C@@H]1CC[N@H+](CCc2nc(-c3ccccc3)no2)C1 ZINC000534580470 301234525 /nfs/dbraw/zinc/23/45/25/301234525.db2.gz ASQKXWQBTQTVMS-OAHLLOKOSA-N 2 0 323.400 2.502 20 0 DFADRP CCc1ccc(C[N@@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@H]32)s1 ZINC000539898598 301353141 /nfs/dbraw/zinc/35/31/41/301353141.db2.gz YBZSPUWJVJZRIC-KBRIMQKVSA-N 2 0 308.491 2.994 20 0 DFADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C[C@H]1CCCC(C)(C)C1 ZINC000550198690 301647125 /nfs/dbraw/zinc/64/71/25/301647125.db2.gz DOLFBOPJVJGUAB-MRXNPFEDSA-N 2 0 311.514 2.545 20 0 DFADRP [NH3+]CC1CCC([NH2+]C[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)CC1 ZINC000556952993 301821667 /nfs/dbraw/zinc/82/16/67/301821667.db2.gz LHOOFTRBZGDOTB-ZPGGLAACSA-N 3 0 319.468 2.626 20 0 DFADRP C[N@@H+]1CCC[C@H](CNCc2cnc(-c3ccncc3)s2)C1 ZINC000562871898 302009763 /nfs/dbraw/zinc/00/97/63/302009763.db2.gz UADHOOHTFOMJJP-CYBMUJFWSA-N 2 0 302.447 2.637 20 0 DFADRP COC1CC[NH+](C2(CN[C@H]3CCCC[C@H]3C[NH3+])CCCC2)CC1 ZINC000562959222 302018128 /nfs/dbraw/zinc/01/81/28/302018128.db2.gz IQQBPPBWRAOEBV-WMZOPIPTSA-N 3 0 323.525 2.517 20 0 DFADRP CC1CC[NH+](Cc2ccc(NC(=O)CCCC[NH3+])cc2)CC1 ZINC000563060882 302032961 /nfs/dbraw/zinc/03/29/61/302032961.db2.gz PAYMDSHTEAXNAV-UHFFFAOYSA-N 2 0 303.450 2.986 20 0 DFADRP c1ccc(C[N@H+]2CCC[C@H]3CN(Cc4cnccn4)CC[C@H]32)cc1 ZINC000563090956 302036430 /nfs/dbraw/zinc/03/64/30/302036430.db2.gz IIICJVUYZSVDDE-AZUAARDMSA-N 2 0 322.456 2.963 20 0 DFADRP CC[NH+](CC)[C@H](CNC(=O)[C@H]1C[C@@H]([NH3+])C1)c1ccccc1Cl ZINC000563200273 302048228 /nfs/dbraw/zinc/04/82/28/302048228.db2.gz IAAXALCXSHGQGZ-DVOMOZLQSA-N 2 0 323.868 2.576 20 0 DFADRP CCC[C@H]1CCCC[C@H]1[NH2+]CC(=O)NC1CC[NH+](C(C)C)CC1 ZINC000563223771 302051981 /nfs/dbraw/zinc/05/19/81/302051981.db2.gz GJFVJBSKGQBMOX-FUHWJXTLSA-N 2 0 323.525 2.924 20 0 DFADRP [NH3+][C@@H]1CCC[C@H]([NH2+]Cc2ccc(N3CCCCCC3)nc2)C1 ZINC000563427318 302071710 /nfs/dbraw/zinc/07/17/10/302071710.db2.gz XODIDMQGVHWFII-SJORKVTESA-N 2 0 302.466 2.822 20 0 DFADRP Cc1ncc(C[NH2+][C@@H]2CCN(C)[C@@H]2c2ccc(Cl)cc2)n1C ZINC000563438699 302073323 /nfs/dbraw/zinc/07/33/23/302073323.db2.gz HQOCACJHIACATD-IAGOWNOFSA-N 2 0 318.852 2.917 20 0 DFADRP Cc1cnc2cc(C(=O)NCCCCC[NH+]3CCCC3)ccn12 ZINC000563819178 302100649 /nfs/dbraw/zinc/10/06/49/302100649.db2.gz BXTFMLNHUHTWDQ-UHFFFAOYSA-N 2 0 314.433 2.639 20 0 DFADRP C[C@@H](c1ccccc1)[C@@H](O)C[NH2+]CCN(C)Cc1ccccc1 ZINC000563861116 302103813 /nfs/dbraw/zinc/10/38/13/302103813.db2.gz KCWXVNLPFANXNH-PXNSSMCTSA-N 2 0 312.457 2.873 20 0 DFADRP CC[N@H+](Cc1ccc(C(=O)N[C@H](C)C[C@@H](C)[NH3+])cc1)C1CC1 ZINC000563961199 302111821 /nfs/dbraw/zinc/11/18/21/302111821.db2.gz ZBUNWFDHNQWQHT-ZIAGYGMSSA-N 2 0 303.450 2.527 20 0 DFADRP OCCCN1CCC[C@@H]1C[NH2+][C@@H](CC1CC1)c1ccccc1 ZINC000564292482 302126387 /nfs/dbraw/zinc/12/63/87/302126387.db2.gz FKHRPQAYZQUWFM-MOPGFXCFSA-N 2 0 302.462 2.964 20 0 DFADRP [NH3+]CC1CCC([NH2+]CCc2nc(-c3ccncc3)cs2)CC1 ZINC000564722292 302153389 /nfs/dbraw/zinc/15/33/89/302153389.db2.gz BXCLEZRUFMBUDC-UHFFFAOYSA-N 2 0 316.474 2.855 20 0 DFADRP [NH3+]C1(C[NH2+]C2CCN(c3nccs3)CC2)CCCCCC1 ZINC000564784468 302158377 /nfs/dbraw/zinc/15/83/77/302158377.db2.gz KEBTZWSVISRKFT-UHFFFAOYSA-N 2 0 308.495 2.753 20 0 DFADRP CC(=O)Nc1ccc(CC[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)cc1 ZINC000564823845 302161122 /nfs/dbraw/zinc/16/11/22/302161122.db2.gz NDGHXDFDQATXJC-OTWHNJEPSA-N 2 0 315.461 2.698 20 0 DFADRP CC(C)[N@@H+]1CCC[C@@H](C[NH2+]C[C@H](O)CCc2ccccc2)C1 ZINC000564846888 302163595 /nfs/dbraw/zinc/16/35/95/302163595.db2.gz UUOSPROQJAUFQH-RBUKOAKNSA-N 2 0 304.478 2.690 20 0 DFADRP CC(C)C[N@@H+]1CC[C@H](C[NH2+]C[C@H](O)CCc2ccccc2)C1 ZINC000564850279 302164114 /nfs/dbraw/zinc/16/41/14/302164114.db2.gz RUSAMNFJPDSPCM-RTBURBONSA-N 2 0 304.478 2.548 20 0 DFADRP C[C@@H](CC[NH+](C)C)[NH2+]C[C@H](O)COc1ccc2ccccc2c1 ZINC000564857307 302165558 /nfs/dbraw/zinc/16/55/58/302165558.db2.gz SGCIRJMCEFCCIN-YJBOKZPZSA-N 2 0 316.445 2.509 20 0 DFADRP CC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@@H]([NH3+])c1ccc(C(C)C)cc1 ZINC000564941150 302175932 /nfs/dbraw/zinc/17/59/32/302175932.db2.gz ALTGAYDKZANBQW-QZTJIDSGSA-N 2 0 317.477 2.800 20 0 DFADRP COc1ccc([C@H](C[NH3+])C[N@@H+]2CCC[C@@H]2[C@@H]2CCCOC2)cc1 ZINC000564989558 302179818 /nfs/dbraw/zinc/17/98/18/302179818.db2.gz RBLDRGMAXLUOOM-ZHALLVOQSA-N 2 0 318.461 2.629 20 0 DFADRP Cc1ccccc1[C@H]([C@H](C)NC(=O)[C@@H](C(C)C)[NH+](C)C)[NH+](C)C ZINC000357867810 302206583 /nfs/dbraw/zinc/20/65/83/302206583.db2.gz KOJJIYVHZXPXAO-JQHSSLGASA-N 2 0 319.493 2.689 20 0 DFADRP CCCC1CCC([NH2+]Cc2nnc(C3CC[NH2+]CC3)[nH]2)CC1 ZINC000565357874 302220451 /nfs/dbraw/zinc/22/04/51/302220451.db2.gz BJSJGSJCZWVGHV-UHFFFAOYSA-N 2 0 305.470 2.720 20 0 DFADRP CC(C)C[C@@H](CNC(=O)C(C)(C)[NH3+])[NH2+][C@H](C)c1ccccc1 ZINC000565361412 302220838 /nfs/dbraw/zinc/22/08/38/302220838.db2.gz NIRBZSVEMCBXMH-ZBFHGGJFSA-N 2 0 305.466 2.605 20 0 DFADRP C[C@H](NC[C@H](C1CC1)[N@H+](C)Cc1ccccc1)[C@@H]1CCC[NH2+]C1 ZINC000566090698 302258662 /nfs/dbraw/zinc/25/86/62/302258662.db2.gz JACWNTDFMMIARW-PWIZWCRZSA-N 2 0 315.505 2.875 20 0 DFADRP O=C(CC[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1)NC1CCCCC1 ZINC000566089600 302258690 /nfs/dbraw/zinc/25/86/90/302258690.db2.gz VNWBWSQBECOQQW-OKZBNKHCSA-N 2 0 321.509 2.726 20 0 DFADRP Cn1ccnc1[C@H]([NH2+]CC1CC[NH2+]CC1)c1ccc(Cl)cc1 ZINC000566088871 302258707 /nfs/dbraw/zinc/25/87/07/302258707.db2.gz DSVZHCDSFVKYKC-MRXNPFEDSA-N 2 0 318.852 2.752 20 0 DFADRP C[C@H](C[NH2+]C[C@H](O)[C@@H](C)c1ccccc1)C[NH+]1CCCCC1 ZINC000566107361 302259946 /nfs/dbraw/zinc/25/99/46/302259946.db2.gz JRQWUXYGEFLMPV-AOIWGVFYSA-N 2 0 304.478 2.863 20 0 DFADRP C[C@H](CC(=O)NCCCCC[NH+]1CCCCC1)n1ccnc1 ZINC000566309010 302278399 /nfs/dbraw/zinc/27/83/99/302278399.db2.gz WGTMTXAIOMSGNW-MRXNPFEDSA-N 2 0 306.454 2.607 20 0 DFADRP CC[N@@H+]1CC[C@H](N(C)Cc2ccc3c(c2)C[NH2+]CC3)C[C@H]1C ZINC000566351697 302281614 /nfs/dbraw/zinc/28/16/14/302281614.db2.gz YAMAHHAKOHMJNS-BEFAXECRSA-N 2 0 301.478 2.637 20 0 DFADRP C[C@@H]([NH2+][C@H]1CCc2nc[nH]c2C1)c1ccc(-n2cccn2)cc1 ZINC000566708865 302305423 /nfs/dbraw/zinc/30/54/23/302305423.db2.gz ZSOZUAHOZSZPJX-HIFRSBDPSA-N 2 0 307.401 2.804 20 0 DFADRP CN1CC[NH+](CCCC[NH2+][C@H]2CCCNc3ccccc32)CC1 ZINC000567280651 302347500 /nfs/dbraw/zinc/34/75/00/302347500.db2.gz MWULUDWDAXLJKQ-IBGZPJMESA-N 2 0 316.493 2.551 20 0 DFADRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+]Cc1ncc(C(C)(C)C)s1 ZINC000567321715 302349019 /nfs/dbraw/zinc/34/90/19/302349019.db2.gz RDNWVVRJMVCKGS-CQSZACIVSA-N 2 0 324.538 2.556 20 0 DFADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]C[C@@H](c1ccc(Cl)cc1)N(C)C ZINC000567642520 302375873 /nfs/dbraw/zinc/37/58/73/302375873.db2.gz OHGBHOHOUDIXHW-XYPHTWIQSA-N 2 0 309.885 2.920 20 0 DFADRP COc1ccccc1OC[C@H](C)C[NH2+][C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000567646076 302375909 /nfs/dbraw/zinc/37/59/09/302375909.db2.gz SDGWKRRZBVZIQB-OWCLPIDISA-N 2 0 306.450 2.688 20 0 DFADRP COCCCOc1cc(C)ccc1C[NH2+][C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000567642453 302375997 /nfs/dbraw/zinc/37/59/97/302375997.db2.gz DPTPXQBUICDPTN-DLBZAZTESA-N 2 0 320.477 2.888 20 0 DFADRP CCCCNC(=O)c1ccc(C[NH2+][C@H](C)[C@H]2CCC[NH2+]C2)cc1 ZINC000567648364 302376519 /nfs/dbraw/zinc/37/65/19/302376519.db2.gz DRBYFPBZRDOFOX-QAPCUYQASA-N 2 0 317.477 2.694 20 0 DFADRP C[NH+](C)CCOc1ccc(C[NH2+]C[C@H](O)CC2CCCC2)cc1 ZINC000567891347 302396652 /nfs/dbraw/zinc/39/66/52/302396652.db2.gz BFTFETUVWARIID-GOSISDBHSA-N 2 0 320.477 2.658 20 0 DFADRP CC(C)c1nc(C[NH2+]CC2CC[NH+](C)CC2)c2ccccn21 ZINC000567903924 302397909 /nfs/dbraw/zinc/39/79/09/302397909.db2.gz GAADOVKRWGNEEL-UHFFFAOYSA-N 2 0 300.450 2.889 20 0 DFADRP [NH3+][C@H]1CCC[C@@H]([NH2+]CCc2nc(-c3ccccn3)cs2)C1 ZINC000569355416 302514396 /nfs/dbraw/zinc/51/43/96/302514396.db2.gz LBBIYLFXZBXBDP-QWHCGFSZSA-N 2 0 302.447 2.607 20 0 DFADRP Cc1ccc(NC(=O)C[C@H](C)[NH2+]CC2=CC[NH2+]CC2)c(C)c1 ZINC000570271960 302564969 /nfs/dbraw/zinc/56/49/69/302564969.db2.gz WWZPFZKDFDHJMT-HNNXBMFYSA-N 2 0 301.434 2.530 20 0 DFADRP CC[NH+](CC)Cc1cccc(C[NH2+]C[C@@H](O)C(F)(F)F)c1 ZINC000571432850 302618176 /nfs/dbraw/zinc/61/81/76/302618176.db2.gz YROMULGSDXGQBG-CQSZACIVSA-N 2 0 304.356 2.541 20 0 DFADRP Cc1cccc(NC(=O)C[C@H](C)[NH2+]CCC2=CC[NH2+]CC2)c1 ZINC000571633525 302626089 /nfs/dbraw/zinc/62/60/89/302626089.db2.gz CRIOMIJIUMYNJD-HNNXBMFYSA-N 2 0 301.434 2.612 20 0 DFADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+][C@H](c1ncc[nH]1)c1ccc(F)cc1 ZINC000571789368 302633417 /nfs/dbraw/zinc/63/34/17/302633417.db2.gz UIBAIFAQONVUME-OTRBTQDUSA-N 2 0 314.408 2.744 20 0 DFADRP [NH3+][C@@H]1CCC[C@@H]([NH2+][C@@H](CCO)c2cccc(C(F)(F)F)c2)C1 ZINC000572135428 302645640 /nfs/dbraw/zinc/64/56/40/302645640.db2.gz YIQFJFWSONJOQI-KFWWJZLASA-N 2 0 316.367 2.988 20 0 DFADRP Cc1ccc([C@H](C)NC(=O)C[NH+]2CCC(CC[NH3+])CC2)cc1C ZINC000572413586 302661398 /nfs/dbraw/zinc/66/13/98/302661398.db2.gz LAAHNKOQDZDSAA-INIZCTEOSA-N 2 0 317.477 2.541 20 0 DFADRP Cc1nn2c(C[NH2+][C@H]3CCCC[C@H]3C[NH3+])c(C(C)C)nc2s1 ZINC000572970153 302687080 /nfs/dbraw/zinc/68/70/80/302687080.db2.gz XXBDYBMKMXJKJD-STQMWFEESA-N 2 0 321.494 2.830 20 0 DFADRP CCOc1cc2c(cc1C[NH2+][C@@H]1CCC[C@@H]([NH3+])C1)O[C@H](C)C2 ZINC000573071973 302689409 /nfs/dbraw/zinc/68/94/09/302689409.db2.gz YJOSRMPVSDOLEA-DAXOMENPSA-N 2 0 304.434 2.768 20 0 DFADRP C[C@H]([NH2+][C@@H]1CCCN(c2ccccc2F)C1)[C@@H]1CCC[NH2+]C1 ZINC000573437014 302704433 /nfs/dbraw/zinc/70/44/33/302704433.db2.gz MCNMHMCBHQAVTA-ARFHVFGLSA-N 2 0 305.441 2.772 20 0 DFADRP C[C@@H](CCCC[NH3+])[NH2+]Cc1ccc(OCC(F)(F)F)nc1 ZINC000573474204 302706979 /nfs/dbraw/zinc/70/69/79/302706979.db2.gz RSOCKGIUUZIQPP-NSHDSACASA-N 2 0 305.344 2.630 20 0 DFADRP C[C@H]([NH2+]C[C@H](c1ccccc1Cl)N(C)C)[C@@H]1CCC[NH2+]C1 ZINC000573830959 302726200 /nfs/dbraw/zinc/72/62/00/302726200.db2.gz GXFFMWJUANKMBR-JJRVBVJISA-N 2 0 309.885 2.920 20 0 DFADRP [NH3+]CCOCC[N@@H+]1CCC[C@@H]1c1ccc(Br)cc1 ZINC000357083868 303383256 /nfs/dbraw/zinc/38/32/56/303383256.db2.gz QOFQTBJVUMRBOT-CQSZACIVSA-N 2 0 313.239 2.561 20 0 DFADRP C[C@@H]([NH2+]CC1CC[NH+](CC(=O)NC(C)(C)C)CC1)C(C)(C)C ZINC000163536575 315876558 /nfs/dbraw/zinc/87/65/58/315876558.db2.gz WQCUDVAQPOWPIS-CQSZACIVSA-N 2 0 311.514 2.637 20 0 DFADRP CC(C)[NH2+]CCC(=O)Nc1ccc2ccn(CC[NH+](C)C)c2c1 ZINC000169234786 315893745 /nfs/dbraw/zinc/89/37/45/315893745.db2.gz VAYWNDUHJFQUQX-UHFFFAOYSA-N 2 0 316.449 2.530 20 0 DFADRP CCO[C@@H]1C[C@H]([NH2+]Cc2cccc(OCC[NH+](C)C)c2)C1(C)C ZINC000181524592 316062371 /nfs/dbraw/zinc/06/23/71/316062371.db2.gz DBIAPMIQHYBKBO-ZWKOTPCHSA-N 2 0 320.477 2.920 20 0 DFADRP CCC1(CC)[C@H](OC)C[C@@H]1[NH2+]C1CC[NH+](CCCOC)CC1 ZINC000181661230 316066784 /nfs/dbraw/zinc/06/67/84/316066784.db2.gz LZYBYIGRWDVCQA-DLBZAZTESA-N 2 0 312.498 2.671 20 0 DFADRP C[C@H]1CCC[N@H+](CCCC[NH2+][C@@H](c2nccn2C)C2CC2)C1 ZINC000183248418 316134969 /nfs/dbraw/zinc/13/49/69/316134969.db2.gz SNLWFDNAXCSGLF-DOTOQJQBSA-N 2 0 304.482 2.973 20 0 DFADRP C[C@@H]([NH2+]CCOCC(F)(F)F)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185692533 316189802 /nfs/dbraw/zinc/18/98/02/316189802.db2.gz IOPNFCXSSKFLMO-OLZOCXBDSA-N 2 0 308.388 2.808 20 0 DFADRP COC[C@H](C)C[NH2+]CC1CC[NH+](Cc2ccc(OC)cc2)CC1 ZINC000187764263 316214081 /nfs/dbraw/zinc/21/40/81/316214081.db2.gz XUBNLCUXEPHMNJ-MRXNPFEDSA-N 2 0 320.477 2.779 20 0 DFADRP [NH3+]CCC1CC[NH+](CCCc2nc(-c3cccs3)no2)CC1 ZINC000315879514 316243969 /nfs/dbraw/zinc/24/39/69/316243969.db2.gz ZWHZWXPGGFTFPS-UHFFFAOYSA-N 2 0 320.462 2.792 20 0 DFADRP COc1cc2c(cc1C[N@@H+]1CCC[C@@H](CC[NH3+])C1)O[C@@H](C)C2 ZINC000317068387 316247111 /nfs/dbraw/zinc/24/71/11/316247111.db2.gz ZJTOESVPZZCNPJ-KBPBESRZSA-N 2 0 304.434 2.579 20 0 DFADRP CC[NH+](CC)[C@H](CNC(=O)[C@H]1CCCCC[NH2+]1)c1ccccc1 ZINC000321941630 316257825 /nfs/dbraw/zinc/25/78/25/316257825.db2.gz BJAMSVMEHQHPEW-QZTJIDSGSA-N 2 0 317.477 2.718 20 0 DFADRP C[C@H](CCc1ccsc1)[NH2+][C@@H](C)CCN1CC[NH+](C)CC1 ZINC000349401566 316356621 /nfs/dbraw/zinc/35/66/21/316356621.db2.gz DWMSZTCPOZPDMD-CVEARBPZSA-N 2 0 309.523 2.685 20 0 DFADRP CCOc1ccccc1C[NH+]1CCC(OCC[NH+](C)C)CC1 ZINC000353523188 316531499 /nfs/dbraw/zinc/53/14/99/316531499.db2.gz XDGPUBJLTSSODV-UHFFFAOYSA-N 2 0 306.450 2.628 20 0 DFADRP CCc1ccc(CN2CC[NH+](C[C@@H]3CC[NH2+][C@@H](C)C3)CC2)s1 ZINC000414703165 316637012 /nfs/dbraw/zinc/63/70/12/316637012.db2.gz XWHRGGGNKCJXSB-JKSUJKDBSA-N 2 0 321.534 2.816 20 0 DFADRP CCN(CC)C(=O)CCC1CC[NH+](C[C@H]2CC[NH2+][C@H](C)C2)CC1 ZINC000414714578 316638041 /nfs/dbraw/zinc/63/80/41/316638041.db2.gz QJJVMMGZWRSVDU-AEFFLSMTSA-N 2 0 323.525 2.735 20 0 DFADRP COc1ccc(C[NH2+][C@H]2CCC[C@H]2C[NH3+])cc1Br ZINC000414785898 316655243 /nfs/dbraw/zinc/65/52/43/316655243.db2.gz ABUXOHOHNLGDKB-AAEUAGOBSA-N 2 0 313.239 2.675 20 0 DFADRP CC(C)C[C@@H](C[NH2+]CCCN1CC[NH2+]CC1)c1ccccc1 ZINC000414786617 316656372 /nfs/dbraw/zinc/65/63/72/316656372.db2.gz XKLUPNLFGUTEJS-IBGZPJMESA-N 2 0 303.494 2.701 20 0 DFADRP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]Cc1cccc(OCc2ccccn2)c1 ZINC000414791179 316658496 /nfs/dbraw/zinc/65/84/96/316658496.db2.gz HGWDTJXZNTWVMH-LPHOPBHVSA-N 2 0 311.429 2.878 20 0 DFADRP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]Cc1cnn(-c2ccc(Cl)cc2)c1 ZINC000414793236 316659667 /nfs/dbraw/zinc/65/96/67/316659667.db2.gz JZSFCGMZTZBXBV-BBRMVZONSA-N 2 0 304.825 2.743 20 0 DFADRP COc1cc(Br)ccc1C[NH2+][C@H]1CCC[C@H]1C[NH3+] ZINC000414793537 316659938 /nfs/dbraw/zinc/65/99/38/316659938.db2.gz DRJWAWXBUMIRRM-GWCFXTLKSA-N 2 0 313.239 2.675 20 0 DFADRP COc1cc2c(cc1C[NH2+][C@@H]1CCCC[C@@H]1C[NH3+])O[C@H](C)C2 ZINC000414808763 316664457 /nfs/dbraw/zinc/66/44/57/316664457.db2.gz SSTKKZCTNKBJJD-XJKCOSOUSA-N 2 0 304.434 2.626 20 0 DFADRP C[NH+](C)CCCOc1ccc(C[NH2+][C@@H]2COC(C)(C)C2)cc1 ZINC000417898454 316675676 /nfs/dbraw/zinc/67/56/76/316675676.db2.gz JJQWURUEBRCRIH-INIZCTEOSA-N 2 0 306.450 2.674 20 0 DFADRP C[C@H](NC(=O)C1(C[NH+](C)C)CCCCC1)C(C)(C)C[NH+](C)C ZINC000426761937 316824376 /nfs/dbraw/zinc/82/43/76/316824376.db2.gz FSITVFXKZYPSQW-HNNXBMFYSA-N 2 0 311.514 2.591 20 0 DFADRP CN(Cc1ccc(Cl)cc1)C(=O)CCC[NH+]1CCC([NH3+])CC1 ZINC000433117222 316878171 /nfs/dbraw/zinc/87/81/71/316878171.db2.gz NCXCARGCMLNZAS-UHFFFAOYSA-N 2 0 323.868 2.502 20 0 DFADRP [NH3+]C1CC[NH+](CCCC(=O)NCCCC2CCCCC2)CC1 ZINC000433123979 316878793 /nfs/dbraw/zinc/87/87/93/316878793.db2.gz YQSNLIFGBNRLEA-UHFFFAOYSA-N 2 0 309.498 2.666 20 0 DFADRP CCC[C@H](NC(=O)CCC[NH+]1CCC([NH3+])CC1)c1ccccc1 ZINC000433174886 316885779 /nfs/dbraw/zinc/88/57/79/316885779.db2.gz ODFMOVPLUGCSFS-SFHVURJKSA-N 2 0 317.477 2.847 20 0 DFADRP CCC[C@@H](C[NH2+]Cc1ccccc1N1CC[NH+](CC)CC1)OC ZINC000449375831 317032884 /nfs/dbraw/zinc/03/28/84/317032884.db2.gz JMQLVPZBJWZDOM-SFHVURJKSA-N 2 0 319.493 2.733 20 0 DFADRP COc1cc2c(c(CNC3C[C@H]4CC[C@@H](C3)[N@H+]4C)c1)O[C@H](C)C2 ZINC000449556767 317042994 /nfs/dbraw/zinc/04/29/94/317042994.db2.gz OJJXTXBABAIMHK-FCLXEUQJSA-N 2 0 316.445 2.733 20 0 DFADRP C[N@@H+]1CCCC[C@@H]1CN1CC[NH+](C[C@H]2CCC(F)(F)C2)CC1 ZINC000450392686 317088454 /nfs/dbraw/zinc/08/84/54/317088454.db2.gz OVVXJVQHGYSPAU-JKSUJKDBSA-N 2 0 315.452 2.524 20 0 DFADRP COc1ncc(C[NH2+][C@@H]2CC[N@H+](C)[C@H]3CCC[C@H]32)cc1Cl ZINC000453292276 317176745 /nfs/dbraw/zinc/17/67/45/317176745.db2.gz NIWJSRUCJWWECU-CFVMTHIKSA-N 2 0 309.841 2.706 20 0 DFADRP CCC1(C[NH2+][C@H](C)c2ccc(OCC[NH+](C)C)cc2)COC1 ZINC000453385646 317181962 /nfs/dbraw/zinc/18/19/62/317181962.db2.gz UZEXQTDSQIIELC-OAHLLOKOSA-N 2 0 306.450 2.704 20 0 DFADRP Cc1cnc(CC[NH2+][C@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)cn1 ZINC000453394839 317183312 /nfs/dbraw/zinc/18/33/12/317183312.db2.gz HJGVBZYSJOJSLH-IEBWSBKVSA-N 2 0 324.472 2.828 20 0 DFADRP C[NH+](C)CC1(C(=O)NC2CC[NH+](C3CCC3)CC2)CCCCC1 ZINC000456679580 317242958 /nfs/dbraw/zinc/24/29/58/317242958.db2.gz BPVSLNFIQOQTBP-UHFFFAOYSA-N 2 0 321.509 2.632 20 0 DFADRP CCO[C@@H]1C[C@H]([NH2+]Cc2ccc(C[NH+](C)C)cc2)[C@H]1SC ZINC000459380772 317324538 /nfs/dbraw/zinc/32/45/38/317324538.db2.gz QTXFTABXKYGSGQ-GVDBMIGSSA-N 2 0 308.491 2.747 20 0 DFADRP CCO[C@@H]1C[C@@H]([NH2+]Cc2ccc(C[NH+](C)C)cc2)[C@H]1SC ZINC000459380770 317325057 /nfs/dbraw/zinc/32/50/57/317325057.db2.gz QTXFTABXKYGSGQ-BRWVUGGUSA-N 2 0 308.491 2.747 20 0 DFADRP CN1CCCC(C)(C)[C@@H]1C[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000459512914 317328689 /nfs/dbraw/zinc/32/86/89/317328689.db2.gz ZJXVAMCRBNRIFT-SFHVURJKSA-N 2 0 316.493 2.760 20 0 DFADRP C[C@H]1C[C@H](C[N@H+]2C[C@@H]3C[NH+](Cc4ccccc4)C[C@@H]3C2)CCO1 ZINC000471000729 317332658 /nfs/dbraw/zinc/33/26/58/317332658.db2.gz ITOFRRGFWQDWFV-OJAHFUOMSA-N 2 0 314.473 2.865 20 0 DFADRP CC(C)C1CC([NH2+]Cc2ccc(CN3CC[NH+](C)CC3)cc2)C1 ZINC000488421503 317391565 /nfs/dbraw/zinc/39/15/65/317391565.db2.gz XKJTYKHMQZJVHE-UHFFFAOYSA-N 2 0 315.505 2.958 20 0 DFADRP C[C@@H]1C[C@@H]1C[NH2+]CCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000488421646 317391715 /nfs/dbraw/zinc/39/17/15/317391715.db2.gz SYSKTQDDQGVIJM-QZTJIDSGSA-N 2 0 301.478 2.834 20 0 DFADRP COCCC[NH+]1CCC([NH2+][C@H]2CS[C@@H](C(C)C)C2)CC1 ZINC000488435037 317392243 /nfs/dbraw/zinc/39/22/43/317392243.db2.gz QZHNPSBGYAZOGM-HZPDHXFCSA-N 2 0 300.512 2.607 20 0 DFADRP C[NH+](C)CC1(C[NH2+]C2CCC(O)(C(F)(F)F)CC2)CCCC1 ZINC000545518890 317843417 /nfs/dbraw/zinc/84/34/17/317843417.db2.gz DUNFODFGACORHG-UHFFFAOYSA-N 2 0 322.415 2.934 20 0 DFADRP C[C@@H](c1ccccc1)[C@@H](O)C[NH2+]CC1CC[NH+](C2CC2)CC1 ZINC000566063562 317936251 /nfs/dbraw/zinc/93/62/51/317936251.db2.gz BEFNOTPCGJZAQH-KXBFYZLASA-N 2 0 302.462 2.615 20 0 DFADRP C[C@@H]([NH3+])CCC(=O)N1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000573327794 318016598 /nfs/dbraw/zinc/01/65/98/318016598.db2.gz VLXWUERLHFAHQG-HZPDHXFCSA-N 2 0 309.498 2.617 20 0 DFADRP COc1ccc(C(C)(C)C[NH2+][C@H]2CCC[C@H]([NH3+])C2)cc1OC ZINC000573385700 318017507 /nfs/dbraw/zinc/01/75/07/318017507.db2.gz GJHOOHORHKVIEI-GJZGRUSLSA-N 2 0 306.450 2.841 20 0 DFADRP Fc1ccc2c(c1)OC[C@@H]([NH2+]C1CC[NH+](CC3CC3)CC1)C2 ZINC000573579271 318022114 /nfs/dbraw/zinc/02/21/14/318022114.db2.gz RVZFJEXECHLPBR-KRWDZBQOSA-N 2 0 304.409 2.593 20 0 DFADRP [NH3+]CCC1CC[NH+](CCOc2ccc(F)cc2Cl)CC1 ZINC000574763713 318039279 /nfs/dbraw/zinc/03/92/79/318039279.db2.gz XSGRTSGMAMVXPQ-UHFFFAOYSA-N 2 0 300.805 2.919 20 0 DFADRP Cn1cc(-c2ccc(C[N@@H+]3CC[C@]4(C3)CCC[NH2+]C4)s2)cn1 ZINC000574916683 318050666 /nfs/dbraw/zinc/05/06/66/318050666.db2.gz BBEJWRZPHOBVMR-QGZVFWFLSA-N 2 0 316.474 2.724 20 0 DFADRP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)CC[C@H]([NH3+])c1ccccc1 ZINC000575398210 318075964 /nfs/dbraw/zinc/07/59/64/318075964.db2.gz APZMSZLZHSIRBW-MSOLQXFVSA-N 2 0 317.477 2.847 20 0 DFADRP Cc1c(F)cccc1NC(=O)CC[NH2+]C[C@H]1CC[N@@H+](C2CC2)C1 ZINC000575741947 318079962 /nfs/dbraw/zinc/07/99/62/318079962.db2.gz YPKSFFXZFSBDBO-CQSZACIVSA-N 2 0 319.424 2.537 20 0 DFADRP [NH3+][C@@H]1CCC[C@@H]([NH2+]Cc2cc(Cl)c3c(c2)OCCCO3)C1 ZINC000576010140 318098403 /nfs/dbraw/zinc/09/84/03/318098403.db2.gz PUYBKBLSJYYJDU-CHWSQXEVSA-N 2 0 310.825 2.861 20 0 DFADRP C[C@H](O)C[N@H+](Cc1ccc2c(c1)C[NH2+]CC2)C1CCCCC1 ZINC000576114163 318104788 /nfs/dbraw/zinc/10/47/88/318104788.db2.gz OJSCSOMOAGRLQX-HNNXBMFYSA-N 2 0 302.462 2.848 20 0 DFADRP CC(C)CC[N@@H+]1Cc2cccc(NC(=O)[C@]34C[C@H]3CC[NH2+]4)c2C1 ZINC000576163557 318108005 /nfs/dbraw/zinc/10/80/05/318108005.db2.gz UTRKHRQITZQFFX-BEFAXECRSA-N 2 0 313.445 2.739 20 0 DFADRP Cc1nn2c(C[NH+]3CCC(CC[NH3+])CC3)c(C(C)C)nc2s1 ZINC000576402913 318123585 /nfs/dbraw/zinc/12/35/85/318123585.db2.gz FDXUUAHPKFUKJT-UHFFFAOYSA-N 2 0 321.494 2.783 20 0 DFADRP COc1cc2c(cc1F)[nH+]ccc2N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000576452647 318127101 /nfs/dbraw/zinc/12/71/01/318127101.db2.gz XVQLDTYDTKMNMP-SFHVURJKSA-N 2 0 315.392 2.962 20 0 DFADRP Cc1cc2c(cc1C)[C@H]([NH2+]CCOCC[NH+](C)C)CCCO2 ZINC000576662446 318141265 /nfs/dbraw/zinc/14/12/65/318141265.db2.gz ASCTZVKUOSICSJ-QGZVFWFLSA-N 2 0 306.450 2.685 20 0 DFADRP CSC1(C[NH2+]C[C@@H](O)[C@@H](C)c2ccccc2)CC[NH+](C)CC1 ZINC000577056741 318168527 /nfs/dbraw/zinc/16/85/27/318168527.db2.gz RNPUHQACSABSGW-DOTOQJQBSA-N 2 0 322.518 2.568 20 0 DFADRP [NH3+][C@H]1CCC[C@@H]([NH2+]CCNc2ncc(Cl)cc2Cl)C1 ZINC000577887675 318224861 /nfs/dbraw/zinc/22/48/61/318224861.db2.gz ZLASPEKEQUPWKO-WDEREUQCSA-N 2 0 303.237 2.660 20 0 DFADRP COc1cc2c(cc1OC)[C@@H]([NH2+]Cc1ccc(C[NH3+])cc1)CC2 ZINC000578237726 318247691 /nfs/dbraw/zinc/24/76/91/318247691.db2.gz BQANJRZDFDMMKJ-KRWDZBQOSA-N 2 0 312.413 2.940 20 0 DFADRP C[C@@H]1CN(C)CC[C@@H]1[N@H+](C)Cc1cc(-n2ccnc2)cs1 ZINC000578263973 318249018 /nfs/dbraw/zinc/24/90/18/318249018.db2.gz CABNNNNKYBSXJS-CJNGLKHVSA-N 2 0 304.463 2.706 20 0 DFADRP C[C@H](CC(=O)Nc1ccc(C[NH+](C)C)cc1)C1CC[NH2+]CC1 ZINC000578765229 318284066 /nfs/dbraw/zinc/28/40/66/318284066.db2.gz OADJBYVBUJZPAC-CQSZACIVSA-N 2 0 303.450 2.713 20 0 DFADRP CC[NH+]1CCN(Cc2ccc(N[C@H]3CCC[C@H]([NH3+])C3)cc2)CC1 ZINC000579005291 318301622 /nfs/dbraw/zinc/30/16/22/318301622.db2.gz UNKBAXQVWGTJHG-HKUYNNGSSA-N 2 0 316.493 2.506 20 0 DFADRP COCCN(C)C[C@@H](O)C[N@@H+]1CCCCC[C@@H]1c1ccccc1 ZINC000579021905 318302517 /nfs/dbraw/zinc/30/25/17/318302517.db2.gz KJFHDRDJKGGINH-RTBURBONSA-N 2 0 320.477 2.543 20 0 DFADRP CCc1noc(C2CCC([NH2+]CC[C@@H]3CCC[NH2+]C3)CC2)n1 ZINC000579095590 318306601 /nfs/dbraw/zinc/30/66/01/318306601.db2.gz VJASDGMTJNMZMO-NFOMZHRRSA-N 2 0 306.454 2.638 20 0 DFADRP O=C(Nc1ccc(C[NH2+][C@@H]2CCC[NH2+]CC2)cc1)c1ccncc1 ZINC000579100018 318307004 /nfs/dbraw/zinc/30/70/04/318307004.db2.gz UERPGLWVVPHBGR-QGZVFWFLSA-N 2 0 324.428 2.566 20 0 DFADRP C[C@@H](CC(=O)N[C@@H](C)c1cccc(-n2ccnc2)c1)n1ccnc1 ZINC000579360750 318325651 /nfs/dbraw/zinc/32/56/51/318325651.db2.gz NRLXMDYKADJJKY-GJZGRUSLSA-N 2 0 323.400 2.897 20 0 DFADRP [NH3+]CCC1CC[NH+](CCC(=O)Nc2ccc(Cl)cc2)CC1 ZINC000579602471 318342460 /nfs/dbraw/zinc/34/24/60/318342460.db2.gz GAHOIKRMIWREAK-UHFFFAOYSA-N 2 0 309.841 2.729 20 0 DFADRP C[C@@H]1C[C@@H](C)[N@H+](Cc2cnc(-c3ccccc3)nc2)C[C@H]1C[NH3+] ZINC000579944621 318364738 /nfs/dbraw/zinc/36/47/38/318364738.db2.gz IBDQJGWVWDZGMS-IIDMSEBBSA-N 2 0 310.445 2.949 20 0 DFADRP C[NH+](C)CCN(CC[NH+](C)C)Cc1cscc1C(F)(F)F ZINC000580038206 318370474 /nfs/dbraw/zinc/37/04/74/318370474.db2.gz GTBHBLGOIMXDGY-UHFFFAOYSA-N 2 0 323.428 2.692 20 0 DFADRP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+][C@H]1CCN(CC(F)(F)F)C1 ZINC000580062371 318372261 /nfs/dbraw/zinc/37/22/61/318372261.db2.gz NYZKKSSKRUDYGB-MCIONIFRSA-N 2 0 307.404 2.523 20 0 DFADRP C[C@@H]([NH2+]Cc1ccc(OC2CCCCC2)nc1)[C@H]1CC[NH2+]C1 ZINC000580062288 318372301 /nfs/dbraw/zinc/37/23/01/318372301.db2.gz APISKJKSADAGBP-ZBFHGGJFSA-N 2 0 303.450 2.881 20 0 DFADRP CCC[C@@H]1CCCC[C@@H]1[NH2+]CCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000580074031 318373475 /nfs/dbraw/zinc/37/34/75/318373475.db2.gz AKFOFURFTIGAJJ-IKGGRYGDSA-N 2 0 309.498 2.522 20 0 DFADRP Cc1ccc(-c2n[nH]cc2C[N@H+]2CC3(C[C@@H]2C)CC[NH2+]CC3)o1 ZINC000580183420 318381481 /nfs/dbraw/zinc/38/14/81/318381481.db2.gz SZZTYXHGJGFHKN-ZDUSSCGKSA-N 2 0 314.433 2.942 20 0 DFADRP CC[NH+](CC)CCC[NH2+][C@H](C)c1ccc(-n2ccnn2)cc1 ZINC000191822201 323238936 /nfs/dbraw/zinc/23/89/36/323238936.db2.gz VUYYDRSVFQVYDU-OAHLLOKOSA-N 2 0 301.438 2.650 20 0 DFADRP CC[NH+]1CCN([C@H](C)C[NH2+][C@@H]2CCCNc3ccccc32)CC1 ZINC000192670407 323245720 /nfs/dbraw/zinc/24/57/20/323245720.db2.gz KYHLFIXXCDAVOT-VQIMIIECSA-N 2 0 316.493 2.549 20 0 DFADRP c1ccc(CN2CCCC[C@@H]2C[NH2+][C@H]2CCC[NH2+]CC2)cc1 ZINC000379630363 323289247 /nfs/dbraw/zinc/28/92/47/323289247.db2.gz PTRXMHGKVGAWRJ-RBUKOAKNSA-N 2 0 301.478 2.773 20 0 DFADRP c1ccc(CN2CCCC[C@H]2C[NH2+][C@@H]2CCC[NH2+]CC2)cc1 ZINC000379630361 323289906 /nfs/dbraw/zinc/28/99/06/323289906.db2.gz PTRXMHGKVGAWRJ-MOPGFXCFSA-N 2 0 301.478 2.773 20 0 DFADRP C[C@@H]1C[C@@H](NC[C@H]2CCC[NH2+]C2)CC[N@@H+]1Cc1ccccc1 ZINC000379654580 323291238 /nfs/dbraw/zinc/29/12/38/323291238.db2.gz JAXWBAPARBHONV-NEWSRXKRSA-N 2 0 301.478 2.629 20 0 DFADRP C[C@H]1C[C@@H](NCCC[NH2+]C2CC2)CC[N@@H+]1Cc1ccccc1 ZINC000382548083 323300231 /nfs/dbraw/zinc/30/02/31/323300231.db2.gz QMYRYCAJSFLADX-LPHOPBHVSA-N 2 0 301.478 2.771 20 0 DFADRP C[N@H+](CC[C@@H]1CCC[NH2+]C1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000382719581 323301629 /nfs/dbraw/zinc/30/16/29/323301629.db2.gz KFBPHPZJVAUGHM-AZUAARDMSA-N 3 0 315.505 2.830 20 0 DFADRP C[C@H](NC[C@@H](c1ccccc1)[NH+]1CCCC1)[C@@H]1CCCC[NH2+]1 ZINC000386629947 323319738 /nfs/dbraw/zinc/31/97/38/323319738.db2.gz ZXKTZIGTATWQIH-WDSOQIARSA-N 2 0 301.478 2.944 20 0 DFADRP C[N@H+](CCNC(=O)[C@H]([NH3+])CC1CCCCC1)Cc1ccccc1 ZINC000386747856 323320293 /nfs/dbraw/zinc/32/02/93/323320293.db2.gz FUIWMESFTMBJBT-GOSISDBHSA-N 2 0 317.477 2.532 20 0 DFADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1Nc1cccc(OCC[NH+](C)C)c1 ZINC000387312447 323323551 /nfs/dbraw/zinc/32/35/51/323323551.db2.gz OJZMSXBRENSXGO-RKVPGOIHSA-N 2 0 305.466 2.768 20 0 DFADRP CCN(C(=O)OC(C)(C)C)[C@H](C)C[NH2+][C@H]1CC[N@H+](C)C[C@H]1C ZINC000387462870 323324216 /nfs/dbraw/zinc/32/42/16/323324216.db2.gz QIOYOEDOAPAPSC-KFWWJZLASA-N 2 0 313.486 2.562 20 0 DFADRP C[NH2+][C@H](CC(C)(C)C)C(=O)N1CCC(C[N@H+](C)C(C)C)CC1 ZINC000387490245 323324462 /nfs/dbraw/zinc/32/44/62/323324462.db2.gz YVXRLWAGODAPJG-MRXNPFEDSA-N 2 0 311.514 2.589 20 0 DFADRP Cc1ccc(C)c(OC[C@@H](O)C[NH2+]C2CC[NH+](C(C)C)CC2)c1 ZINC000387472345 323324671 /nfs/dbraw/zinc/32/46/71/323324671.db2.gz ZBIHHFZEWBVEAN-SFHVURJKSA-N 2 0 320.477 2.506 20 0 DFADRP Clc1cc(C[N@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)cc2c1OCCO2 ZINC000389681417 323336513 /nfs/dbraw/zinc/33/65/13/323336513.db2.gz HLIABSPBWPNXQQ-OKILXGFUSA-N 2 0 322.836 2.543 20 0 DFADRP COc1cc2c(cc1C[NH2+]CC1(C)CC[NH+](C)CC1)O[C@@H](C)C2 ZINC000391949637 323346956 /nfs/dbraw/zinc/34/69/56/323346956.db2.gz YOPGVCICIDUOAS-AWEZNQCLSA-N 2 0 318.461 2.840 20 0 DFADRP CC(C)C[C@H](C[NH2+]C1CCC(O)(C(F)(F)F)CC1)N(C)C ZINC000396323776 323352901 /nfs/dbraw/zinc/35/29/01/323352901.db2.gz NYXZXIAVCDYVPH-ROKHWSDSSA-N 2 0 310.404 2.788 20 0 DFADRP CC(C)N(CC[NH2+]C1CCC(O)(C(F)(F)F)CC1)C(C)C ZINC000396324144 323352793 /nfs/dbraw/zinc/35/27/93/323352793.db2.gz OOTISZLSNXUUGI-UHFFFAOYSA-N 2 0 310.404 2.931 20 0 DFADRP C[C@H]1CCCC[N@@H+]1CCC1CCN(C(=O)CCCC[NH3+])CC1 ZINC000580332301 323372684 /nfs/dbraw/zinc/37/26/84/323372684.db2.gz NYZRVPJZVOUCTA-INIZCTEOSA-N 2 0 309.498 2.619 20 0 DFADRP c1ccc([C@@H]2OCC[C@@H]2[NH2+]Cc2ccc3c(c2)C[NH2+]CC3)cc1 ZINC000581078203 323472592 /nfs/dbraw/zinc/47/25/92/323472592.db2.gz ZFWRAYNOUQVYBW-PMACEKPBSA-N 2 0 308.425 2.952 20 0 DFADRP CC(C)c1nnc(C[NH2+]C2CCN(c3cc[nH+]cc3)CC2)s1 ZINC000582831378 323744813 /nfs/dbraw/zinc/74/48/13/323744813.db2.gz TUJJYVXKTMYTSK-UHFFFAOYSA-N 2 0 317.462 2.815 20 0 DFADRP OC1(C[NH2+][C@H]2CCC[C@H]3C[C@H]32)CC[NH+](Cc2ccccc2)CC1 ZINC000583611956 323887475 /nfs/dbraw/zinc/88/74/75/323887475.db2.gz UHZJGBACSLESOX-OTWHNJEPSA-N 2 0 314.473 2.792 20 0 DFADRP CC(C)[NH+](CCCNC(=O)C[C@H]([NH3+])c1ccccc1)C(C)C ZINC000583750689 323907251 /nfs/dbraw/zinc/90/72/51/323907251.db2.gz GFGMPEJIYMTLLP-KRWDZBQOSA-N 2 0 305.466 2.702 20 0 DFADRP [NH3+][C@H]1CCC[C@@H]([NH2+]CCc2nc3ccccc3n2C(F)F)C1 ZINC000584301863 332231342 /nfs/dbraw/zinc/23/13/42/332231342.db2.gz ITXKKPVKBSWZCQ-NWDGAFQWSA-N 2 0 308.376 2.833 20 0 DFADRP [NH3+][C@@H]1CCC[C@H]([NH2+]CCc2nc3ccccc3n2C(F)F)C1 ZINC000584301862 332231438 /nfs/dbraw/zinc/23/14/38/332231438.db2.gz ITXKKPVKBSWZCQ-NEPJUHHUSA-N 2 0 308.376 2.833 20 0 DFADRP C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2cc(-n3ccnc3)cs2)C1 ZINC000584378692 337232981 /nfs/dbraw/zinc/23/29/81/337232981.db2.gz UBKDAELLZZCJSH-YOEHRIQHSA-N 2 0 316.474 2.850 20 0 DFADRP c1cc2c(cc1C[N@@H+]1CCC[C@H]1[C@@H]1CCCOC1)C[NH2+]CC2 ZINC000584475160 337346208 /nfs/dbraw/zinc/34/62/08/337346208.db2.gz WELYHAHGEUPDJQ-MJGOQNOKSA-N 2 0 300.446 2.723 20 0 DFADRP [NH3+]CCCCC(=O)NC[C@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC000584467368 337347209 /nfs/dbraw/zinc/34/72/09/337347209.db2.gz JAPOFJWIKNXKCO-MRXNPFEDSA-N 2 0 323.868 2.722 20 0 DFADRP C[C@H]([NH2+]CC1(N)CC[NH+](Cc2ccccc2)CC1)c1ccoc1 ZINC000584584989 337368933 /nfs/dbraw/zinc/36/89/33/337368933.db2.gz ZEXDIBGZQVHDKA-INIZCTEOSA-N 2 0 313.445 2.924 20 0 DFADRP CC(C)[N@@H+]1CC[C@@H](CN[C@@H]2C[NH+](Cc3ccccc3)C[C@H]2C)C1 ZINC000571127472 500616769 /nfs/dbraw/zinc/61/67/69/500616769.db2.gz XMJRSBRMLNWYDZ-YZGWKJHDSA-N 2 0 315.505 2.827 20 0 DFADRP C[C@H]([NH2+]C1CC1)C(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC000296599432 533801115 /nfs/dbraw/zinc/80/11/15/533801115.db2.gz YIVVNJVTSJUNPZ-HNNXBMFYSA-N 2 0 315.461 2.794 20 0 DFADRP C[C@@H]1C[C@H]([NH2+]CC2CCN(c3cc[nH+]cc3)CC2)c2nccn21 ZINC000296670290 533944898 /nfs/dbraw/zinc/94/48/98/533944898.db2.gz FVKVQRBMPCWJLP-PBHICJAKSA-N 2 0 311.433 2.790 20 0 DFADRP CC(C)CNC(=[NH2+])NCC1CC[NH+](Cc2ccccc2F)CC1 ZINC000364207013 519733242 /nfs/dbraw/zinc/73/32/42/519733242.db2.gz MVMAUGCWZHWGHK-UHFFFAOYSA-N 2 0 320.456 2.808 20 0 DFADRP CC(C)[C@H](C[NH2+][C@H]1c2ccccc2C[C@@H]1C)N1CC[NH+](C)CC1 ZINC000132460061 519816129 /nfs/dbraw/zinc/81/61/29/519816129.db2.gz YAIMJQAUCKBMBX-FFZOFVMBSA-N 2 0 315.505 2.782 20 0 DFADRP CC(C)[C@H](C[NH2+][C@@H]1c2ccccc2C[C@H]1C)N1CC[NH+](C)CC1 ZINC000132460258 519816161 /nfs/dbraw/zinc/81/61/61/519816161.db2.gz YAIMJQAUCKBMBX-UXPWSPDFSA-N 2 0 315.505 2.782 20 0 DFADRP Cc1ccc2[nH+]ccc(N3CC[N@H+](CC(C)(C)O)[C@H](C)C3)c2c1 ZINC000302511846 534521390 /nfs/dbraw/zinc/52/13/90/534521390.db2.gz SWLJLSNJVNGPEN-OAHLLOKOSA-N 2 0 313.445 2.825 20 0 DFADRP Cc1cnn(CC[N@@H+]2C[C@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)c1 ZINC000310219073 534741668 /nfs/dbraw/zinc/74/16/68/534741668.db2.gz FSPIDZROIXGFFX-UXHICEINSA-N 2 0 324.472 2.645 20 0 DFADRP Cc1ccc(C[NH+]2CCC(CNC(=[NH2+])N(C)C3CC3)CC2)cc1 ZINC000364263646 524436910 /nfs/dbraw/zinc/43/69/10/524436910.db2.gz CRMDUXHXPUMGBB-UHFFFAOYSA-N 2 0 314.477 2.826 20 0 DFADRP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC1(CO)CCC1 ZINC000363821962 524631264 /nfs/dbraw/zinc/63/12/64/524631264.db2.gz MMMHNEVPRCPDSI-WMZOPIPTSA-N 2 0 302.462 2.649 20 0 DFADRP O=C1CC[C@@H]([NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)c2cc(F)ccc2N1 ZINC000364941896 526991003 /nfs/dbraw/zinc/99/10/03/526991003.db2.gz QCCFHYCHCXCFNN-BLLLJJGKSA-N 2 0 317.408 2.673 20 0 DFADRP [NH3+]Cc1ccc(C(=O)N[C@H]2CCC[N@@H+](C3CCCCC3)C2)cc1 ZINC000366346714 527253202 /nfs/dbraw/zinc/25/32/02/527253202.db2.gz LVLNQWWYABSQSV-KRWDZBQOSA-N 2 0 315.461 2.672 20 0 DFADRP CCC[N@H+](C)C[C@H]1CC[NH+](C[C@H](Cc2ccccc2)OC)C1 ZINC000294928798 527849285 /nfs/dbraw/zinc/84/92/85/527849285.db2.gz IWQPTZHKSWXCIZ-MOPGFXCFSA-N 2 0 304.478 2.908 20 0 DFADRP CC1(C)[C@H]([NH2+]C[C@@H]2CC[N@H+](Cc3ccccc3)C2)[C@H]2CCO[C@@H]21 ZINC000309654286 527869739 /nfs/dbraw/zinc/86/97/39/527869739.db2.gz BBKUNBMCHOLJCA-MANSERQUSA-N 2 0 314.473 2.912 20 0 DFADRP CC1CC[NH+](Cc2ccc(NC(=O)[C@H]3CCC[N@@H+]3C)cc2)CC1 ZINC000299524985 528255996 /nfs/dbraw/zinc/25/59/96/528255996.db2.gz LYQKDBFTHKGQNR-GOSISDBHSA-N 2 0 315.461 2.951 20 0 DFADRP CCC[NH2+][C@H](C)C(=O)NCc1ccc(C[NH+](CC)CC)cc1 ZINC000294809430 528555495 /nfs/dbraw/zinc/55/54/95/528555495.db2.gz QDVCSURALNWHTH-OAHLLOKOSA-N 2 0 305.466 2.533 20 0 DFADRP CCC[NH2+][C@H](C)C(=O)Nc1cccc(C[NH+]2CCCCC2)c1 ZINC000294684990 528560345 /nfs/dbraw/zinc/56/03/45/528560345.db2.gz AGFFGLZLQZLLGI-OAHLLOKOSA-N 2 0 303.450 2.999 20 0 DFADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2ccncc2C)[C@@H](C)C1 ZINC000294710744 528663165 /nfs/dbraw/zinc/66/31/65/528663165.db2.gz BIXPYHRZFMACEI-FUHWJXTLSA-N 2 0 305.466 2.617 20 0 DFADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2ccncc2C)[C@@H](C)C1 ZINC000294710755 528667337 /nfs/dbraw/zinc/66/73/37/528667337.db2.gz BIXPYHRZFMACEI-WMZOPIPTSA-N 2 0 305.466 2.617 20 0 DFADRP CCC(CC)(C[NH2+]C1CCN(c2cc[nH+]cc2)CC1)C(=O)OC ZINC000297371116 528691610 /nfs/dbraw/zinc/69/16/10/528691610.db2.gz GLAGWPMHKVGCHH-UHFFFAOYSA-N 2 0 319.449 2.619 20 0 DFADRP CC[NH+]1CCC([NH2+]CCc2cc(C(F)(F)F)ccn2)CC1 ZINC000293032384 528987165 /nfs/dbraw/zinc/98/71/65/528987165.db2.gz ADMYQOKMIWGHHR-UHFFFAOYSA-N 2 0 301.356 2.717 20 0 DFADRP CCCC[C@H]([NH3+])C(=O)NCc1ccccc1C[N@H+](C)C(C)C ZINC000236818627 535046643 /nfs/dbraw/zinc/04/66/43/535046643.db2.gz JBJYWNYTZBZFRY-KRWDZBQOSA-N 2 0 305.466 2.661 20 0 DFADRP CC(C)[NH+]1CCC(N(C)C(=O)[C@@H](C)[NH+]2CCCCCC2)CC1 ZINC000357824784 535150729 /nfs/dbraw/zinc/15/07/29/535150729.db2.gz KJLQFBFYPDQONI-MRXNPFEDSA-N 2 0 309.498 2.582 20 0 DFADRP CC1(C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)COC1 ZINC000245681741 535157235 /nfs/dbraw/zinc/15/72/35/535157235.db2.gz JAIXPRKSCHMOHJ-NNZMDNLPSA-N 2 0 300.446 2.808 20 0 DFADRP CC[NH2+]CC1CC[NH+](Cc2cc(C(=O)OC)ccc2Cl)CC1 ZINC000262002307 535459335 /nfs/dbraw/zinc/45/93/35/535459335.db2.gz UGRIPDHOXQCAKA-UHFFFAOYSA-N 2 0 324.852 2.948 20 0 DFADRP CC[NH+](CC)CCOc1ccccc1C[NH2+][C@H](C)c1cn[nH]c1 ZINC000284093365 535557315 /nfs/dbraw/zinc/55/73/15/535557315.db2.gz MKBCEZPXQRYZJT-OAHLLOKOSA-N 2 0 316.449 2.981 20 0 DFADRP CC[NH+](CC)Cc1ccccc1CNC(=O)[C@@H]1C[C@H](C)CC[NH2+]1 ZINC000261927225 535610431 /nfs/dbraw/zinc/61/04/31/535610431.db2.gz SJHGKIYMYCSAQZ-QAPCUYQASA-N 2 0 317.477 2.533 20 0 DFADRP CC[NH+](CC)[C@H](CNC(=O)[C@@H]1CCC[NH2+][C@H]1C)c1ccccc1 ZINC000261752564 535674675 /nfs/dbraw/zinc/67/46/75/535674675.db2.gz PCWRJMWYWHFBIG-CGTJXYLNSA-N 2 0 317.477 2.574 20 0 DFADRP CC[NH+]1CCN([C@@H]2CC[N@H+](Cc3ccc([C@H]4C[C@H]4C)o3)C2)CC1 ZINC000245701360 535737161 /nfs/dbraw/zinc/73/71/61/535737161.db2.gz DBUIAVPDDYKEAB-NUJGCVRESA-N 2 0 317.477 2.615 20 0 DFADRP CC[C@@H]([NH2+]CC1CCN(c2cc[nH+]cc2)CC1)[C@H]1CCOC1 ZINC000357850362 535803134 /nfs/dbraw/zinc/80/31/34/535803134.db2.gz LMZZHPBVCZOQFP-FUHWJXTLSA-N 2 0 303.450 2.703 20 0 DFADRP CCc1cccc(C)c1NC(=O)C[N@@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000262025327 535862403 /nfs/dbraw/zinc/86/24/03/535862403.db2.gz YCBNCRZLQHLMFI-HNNXBMFYSA-N 2 0 303.450 2.557 20 0 DFADRP CC[C@H](C)[C@H]([NH3+])C(=O)NC[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000165898171 535954146 /nfs/dbraw/zinc/95/41/46/535954146.db2.gz KGINKHUPNQRKQA-SZMVWBNQSA-N 2 0 317.477 2.531 20 0 DFADRP C[NH+](C)Cc1ccc(-c2noc(C[C@H]3CCC[NH2+]CC3)n2)cc1 ZINC000261897813 535994030 /nfs/dbraw/zinc/99/40/30/535994030.db2.gz YGEOCKCPYRYZIQ-AWEZNQCLSA-N 2 0 314.433 2.730 20 0 DFADRP C[NH+](C)[C@@H](CNC(=O)[C@@H]([NH3+])CC1CCCCC1)c1cccs1 ZINC000262480877 536131079 /nfs/dbraw/zinc/13/10/79/536131079.db2.gz JYCOVCDEBFKXQB-GJZGRUSLSA-N 2 0 323.506 2.765 20 0 DFADRP COCCOc1cccc(C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)c1 ZINC000245691217 536708649 /nfs/dbraw/zinc/70/86/49/536708649.db2.gz ATOXQKVUDXBLKQ-IEBWSBKVSA-N 2 0 318.461 2.628 20 0 DFADRP COc1cc(C[N@@H+]2CCC[C@H](CC[NH3+])C2)ccc1OC(F)F ZINC000261846346 536756423 /nfs/dbraw/zinc/75/64/23/536756423.db2.gz DCDITCUBBFIOOE-GFCCVEGCSA-N 2 0 314.376 2.857 20 0 DFADRP CC[C@H](C(=O)N1C[C@@H]2CCCC[N@@H+]2C[C@@H]1CC)[NH+](CC)CC ZINC000680868953 545555369 /nfs/dbraw/zinc/55/53/69/545555369.db2.gz BPQKYQVDAHXOBO-YESZJQIVSA-N 2 0 309.498 2.582 20 0 DFADRP CCN(CCC[NH+](C)C)C(=O)c1ccc(C[NH+](CC)CC)o1 ZINC000682569913 545875187 /nfs/dbraw/zinc/87/51/87/545875187.db2.gz XOQXAWGONVHLLY-UHFFFAOYSA-N 2 0 309.454 2.535 20 0 DFADRP COCC[N@H+](C)CCCC1CC[NH+](Cc2cc(C)ccn2)CC1 ZINC000683019991 545961122 /nfs/dbraw/zinc/96/11/22/545961122.db2.gz UWXPYIQFHNQCKP-UHFFFAOYSA-N 2 0 319.493 2.960 20 0 DFADRP CCCN1CCC[C@@H]1c1nc(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)no1 ZINC000683581995 546065150 /nfs/dbraw/zinc/06/51/50/546065150.db2.gz SXDBHJPBHUHBNQ-JALIKCBVSA-N 2 0 304.438 2.957 20 0 DFADRP CC[NH+](CC)CCOCC[NH2+]Cc1ccc2cnccc2c1 ZINC000683774633 546092210 /nfs/dbraw/zinc/09/22/10/546092210.db2.gz CTFCZDAELQTZOA-UHFFFAOYSA-N 2 0 301.434 2.683 20 0 DFADRP CC(C)[C@@H](C[NH2+]Cc1cc2ccccc2[nH]1)N1CC[NH+](C)CC1 ZINC000683928286 546121896 /nfs/dbraw/zinc/12/18/96/546121896.db2.gz ZLQHVOOXGVORIU-LJQANCHMSA-N 2 0 314.477 2.530 20 0 DFADRP c1c(C[NH2+]C2CC[NH+](C[C@@H]3CCOC3)CC2)[nH]c2ccccc12 ZINC000683930205 546122846 /nfs/dbraw/zinc/12/28/46/546122846.db2.gz WGRCRFVMNIREAP-HNNXBMFYSA-N 2 0 313.445 2.758 20 0 DFADRP Cn1nccc1[C@@H]1CCC[C@H]([NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)C1 ZINC000684112694 546153572 /nfs/dbraw/zinc/15/35/72/546153572.db2.gz XQIYPHKOZVVPLW-QZWWFDLISA-N 2 0 302.466 2.663 20 0 DFADRP C[NH+](C)CCOc1ccc(C[N@@H+]2CCO[C@@H](C(C)(C)C)C2)cc1 ZINC000684145430 546157861 /nfs/dbraw/zinc/15/78/61/546157861.db2.gz AJLZPBQLFFKBHZ-GOSISDBHSA-N 2 0 320.477 2.874 20 0 DFADRP C[C@@H](O)C[C@@H]1CCCC[N@@H+]1Cc1ccc(OCC[NH+](C)C)cc1 ZINC000684149276 546159153 /nfs/dbraw/zinc/15/91/53/546159153.db2.gz WPZAFDGKTZWLBY-AEFFLSMTSA-N 2 0 320.477 2.752 20 0 DFADRP CC[C@H]1C[N@H+](Cc2ccc(OCC[NH+](C)C)cc2)CCCO1 ZINC000684968903 546311497 /nfs/dbraw/zinc/31/14/97/546311497.db2.gz GXRJBJPGDUBFFL-KRWDZBQOSA-N 2 0 306.450 2.628 20 0 DFADRP CC[C@@H]1C[N@H+](Cc2ccc(OCC[NH+](C)C)cc2)CCCO1 ZINC000684968904 546311655 /nfs/dbraw/zinc/31/16/55/546311655.db2.gz GXRJBJPGDUBFFL-QGZVFWFLSA-N 2 0 306.450 2.628 20 0 DFADRP CC1=CCC[C@@H](C)[C@H]1C[N@H+](C)CCN(C)C1CC[NH+](C)CC1 ZINC000685454794 546352579 /nfs/dbraw/zinc/35/25/79/546352579.db2.gz RMALOMYOTVWISF-MJGOQNOKSA-N 2 0 307.526 2.937 20 0 DFADRP C[NH+](C)CCN(CC[NH+](C)C)Cc1cc(Cl)ccc1Cl ZINC000685457081 546353685 /nfs/dbraw/zinc/35/36/85/546353685.db2.gz KJNZDBFEZWTFCG-UHFFFAOYSA-N 2 0 318.292 2.919 20 0 DFADRP Cc1nc(C)c(C[NH+]2CCC(CCC[NH+]3CCOCC3)CC2)o1 ZINC000685572187 546369397 /nfs/dbraw/zinc/36/93/97/546369397.db2.gz ZSWHCYTYQMFWCY-UHFFFAOYSA-N 2 0 321.465 2.616 20 0 DFADRP C[C@H]([NH2+]CC1CC[NH+](C2CC2)CC1)c1ccc([S@](C)=O)cc1 ZINC000278495236 214190807 /nfs/dbraw/zinc/19/08/07/214190807.db2.gz PYLVNPQLPJXZIM-FPTDNZKUSA-N 2 0 320.502 2.949 20 0 DFADRP c1cn(-c2ccccc2)nc1C[NH2+]CC1CC[NH+](C2CC2)CC1 ZINC000278499388 214193700 /nfs/dbraw/zinc/19/37/00/214193700.db2.gz NHFHKVWAHNDXOR-UHFFFAOYSA-N 2 0 310.445 2.836 20 0 DFADRP C(C[NH+]1CCC(CC[NH+]2CCOCC2)CC1)OCC1CCCC1 ZINC000459307898 299078499 /nfs/dbraw/zinc/07/84/99/299078499.db2.gz ABWJJQZRSLKNAZ-UHFFFAOYSA-N 2 0 324.509 2.628 20 0 DFADRP C[C@@H]1COCC[C@@H]1[NH2+][C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000309857390 231106814 /nfs/dbraw/zinc/10/68/14/231106814.db2.gz LTOCTTDOJOJTSE-QDGKJQRMSA-N 2 0 314.473 2.912 20 0 DFADRP Cc1nc(F)ccc1C[NH2+]CC1CCN(c2cc[nH+]cc2)CC1 ZINC000278783943 214399383 /nfs/dbraw/zinc/39/93/83/214399383.db2.gz PVTVAPQGZJDMDW-UHFFFAOYSA-N 2 0 314.408 2.930 20 0 DFADRP Cc1nccn1[C@H]1CCC[N@@H+]([C@H](C)C(=O)N(C(C)C)C(C)C)C1 ZINC000591905709 398348736 /nfs/dbraw/zinc/34/87/36/398348736.db2.gz GXUUTXHFZXLTKB-WBVHZDCISA-N 2 0 320.481 2.862 20 0 DFADRP C[NH+](C)[C@@H]1CCCN(C(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC000365307632 282185335 /nfs/dbraw/zinc/18/53/35/282185335.db2.gz JGUVIISWFRUPQV-IAGOWNOFSA-N 2 0 321.509 2.584 20 0 DFADRP CC[C@@H](C)[N@H+](C)CCNC(=O)c1ccc(C[NH+](CC)CC)cc1 ZINC000066125733 398358590 /nfs/dbraw/zinc/35/85/90/398358590.db2.gz JLBLJKOYIFCJCZ-MRXNPFEDSA-N 2 0 319.493 2.989 20 0 DFADRP CC(C)C[C@@H](CNC(=O)CC[C@H]([NH3+])c1ccccc1)[NH+](C)C ZINC000236677419 398363498 /nfs/dbraw/zinc/36/34/98/398363498.db2.gz KIFDROBWDAQYQT-IRXDYDNUSA-N 2 0 305.466 2.559 20 0 DFADRP CC(C)C[C@@H](CNC(=O)CC[C@@H]([NH3+])c1ccccc1)[NH+](C)C ZINC000236677351 398363583 /nfs/dbraw/zinc/36/35/83/398363583.db2.gz KIFDROBWDAQYQT-DLBZAZTESA-N 2 0 305.466 2.559 20 0 DFADRP CCOc1cc(C[NH2+]C[C@H]2CCCN2C)cc(Cl)c1OC ZINC000236954873 398365502 /nfs/dbraw/zinc/36/55/02/398365502.db2.gz YTDJHEAFEVWRMA-CYBMUJFWSA-N 2 0 312.841 2.931 20 0 DFADRP C[C@@H](CC(=O)NCCC[N@H+](C)C1CCCCC1)C1CC[NH2+]CC1 ZINC000237423826 398370275 /nfs/dbraw/zinc/37/02/75/398370275.db2.gz XBEAMXFVVPJMNR-INIZCTEOSA-N 2 0 323.525 2.783 20 0 DFADRP CCn1ccnc1[C@@H](C)[NH2+]CC1CCN(c2cc[nH+]cc2)CC1 ZINC000296664447 529588991 /nfs/dbraw/zinc/58/89/91/529588991.db2.gz FLZWRJIYFSPHPI-OAHLLOKOSA-N 2 0 313.449 2.865 20 0 DFADRP C[NH+](C)CCNC(=O)c1ccc(C[NH2+][C@@H]2CCCC2(C)C)cc1 ZINC000090038865 185279272 /nfs/dbraw/zinc/27/92/72/185279272.db2.gz LKXFOZMOXRBIHH-QGZVFWFLSA-N 2 0 317.477 2.646 20 0 DFADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1[NH2+]CCc1nc2cc(F)ccc2n1C ZINC000090044112 185279621 /nfs/dbraw/zinc/27/96/21/185279621.db2.gz UQBVXXCGUDTLJH-VNHYZAJKSA-N 2 0 318.440 2.573 20 0 DFADRP CCO[C@@H](CC[NH+](C)C)C[NH2+][C@H]1CCCOc2ccccc21 ZINC000166015691 197686445 /nfs/dbraw/zinc/68/64/45/197686445.db2.gz OYDCOFAXYKVELU-RDJZCZTQSA-N 2 0 306.450 2.847 20 0 DFADRP COCCOc1ccc(C[NH+]2CCC(CC[NH+](C)C)CC2)cc1 ZINC000092381315 185314589 /nfs/dbraw/zinc/31/45/89/185314589.db2.gz XMOSXALABUIECM-UHFFFAOYSA-N 2 0 320.477 2.876 20 0 DFADRP COC(=O)c1ccccc1C[NH+]1CCC(CC[NH+](C)C)CC1 ZINC000092380877 185314798 /nfs/dbraw/zinc/31/47/98/185314798.db2.gz PPUHPNWOTXQOKC-UHFFFAOYSA-N 2 0 304.434 2.637 20 0 DFADRP O[C@H]1CCC[C@@H]1[NH+]1CCC([NH2+]Cc2ccc3occc3c2)CC1 ZINC000286608703 219080009 /nfs/dbraw/zinc/08/00/09/219080009.db2.gz RLRQXQXQNOGEJX-ROUUACIJSA-N 2 0 314.429 2.900 20 0 DFADRP C[C@@H]1C[NH+](CC2CC[NH+](Cc3cccc(O)c3)CC2)C[C@@H](C)O1 ZINC000092587444 185327348 /nfs/dbraw/zinc/32/73/48/185327348.db2.gz XJWMCJMBRRPDJL-HZPDHXFCSA-N 2 0 318.461 2.713 20 0 DFADRP COc1ccc([C@H](C)[NH2+]CCCC[N@@H+]2CCC[C@@H]2CO)cc1C ZINC000272820626 210221536 /nfs/dbraw/zinc/22/15/36/210221536.db2.gz CZLDEJAVCIUJTF-FUHWJXTLSA-N 2 0 320.477 2.891 20 0 DFADRP CCO[C@@H]1C[C@H]([NH2+][C@@H](CC[NH+](C)C)C(C)(C)C)[C@H]1SC ZINC000459407043 299098516 /nfs/dbraw/zinc/09/85/16/299098516.db2.gz DNSVKXZBKWNJBA-LJISPDSOSA-N 2 0 302.528 2.851 20 0 DFADRP C[N@@H+]1CCC[C@@H]2C[NH+](CCC(=O)OCc3ccccc3)CC[C@@H]21 ZINC000181478152 199304351 /nfs/dbraw/zinc/30/43/51/199304351.db2.gz GPWJAMYXZMDWQH-MSOLQXFVSA-N 2 0 316.445 2.536 20 0 DFADRP CCCN(Cc1ccc(C)cc1)C(=O)CN1CC[C@@H]([NH3+])C[C@@H]1C ZINC000584728516 398403812 /nfs/dbraw/zinc/40/38/12/398403812.db2.gz NYOZGLSVIRFBBQ-FUHWJXTLSA-N 2 0 317.477 2.545 20 0 DFADRP c1cc(N2CCC([NH2+][C@H]3CCN(C4CCCC4)C3)CC2)cc[nH+]1 ZINC000459412813 299099735 /nfs/dbraw/zinc/09/97/35/299099735.db2.gz SESDMXJEWOZGTE-KRWDZBQOSA-N 3 0 314.477 2.657 20 0 DFADRP C[N@@H+]1CCC[C@@H](CC[NH2+]CCC(=O)Nc2ccc(Cl)cc2)C1 ZINC000584835227 398419549 /nfs/dbraw/zinc/41/95/49/398419549.db2.gz UOQJWABJRFSJLM-AWEZNQCLSA-N 2 0 323.868 2.990 20 0 DFADRP CCOC(=O)c1ccc(C[N@@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)o1 ZINC000592433625 398425489 /nfs/dbraw/zinc/42/54/89/398425489.db2.gz MOCJTZCNCLQNFW-CABCVRRESA-N 2 0 320.433 2.668 20 0 DFADRP C[N@@H+]1CC[C@H]([NH2+][C@@H]2CC[C@H](C(=O)OC(C)(C)C)C2)[C@@H]2CCC[C@H]21 ZINC000592403449 398422856 /nfs/dbraw/zinc/42/28/56/398422856.db2.gz LIJUSRPYDSGXEI-BQJWPVKWSA-N 2 0 322.493 2.959 20 0 DFADRP CCO[C@@H]1C[C@H]([NH2+]C2CC[NH+](C3CCCC3)CC2)[C@@H]1SC ZINC000459434208 299105048 /nfs/dbraw/zinc/10/50/48/299105048.db2.gz HJIGLBNMBVUZQM-BBWFWOEESA-N 2 0 312.523 2.892 20 0 DFADRP CCO[C@@H]1C[C@@H]([NH2+]C2CCC(C[NH+](C)C)CC2)[C@H]1SC ZINC000459448712 299109438 /nfs/dbraw/zinc/10/94/38/299109438.db2.gz LOXMKOXMFSAIPG-KDQUWOQTSA-N 2 0 300.512 2.605 20 0 DFADRP C[N@@H+]1CCC[C@@]2(CC[NH+](CCC(=O)Nc3ccccc3F)C2)C1 ZINC000292855369 530059522 /nfs/dbraw/zinc/05/95/22/530059522.db2.gz CBVITLIAOYSYOC-GOSISDBHSA-N 2 0 319.424 2.572 20 0 DFADRP Cc1cnn(CC[NH+]2CCN(c3cc[nH+]c4ccccc43)CC2)c1 ZINC000459469213 299114338 /nfs/dbraw/zinc/11/43/38/299114338.db2.gz CIJDKVWEPATVJJ-UHFFFAOYSA-N 2 0 321.428 2.562 20 0 DFADRP COc1nc(C)cc(C)c1C[NH+]1CCC(CC[NH+](C)C)CC1 ZINC000286754546 219148287 /nfs/dbraw/zinc/14/82/87/219148287.db2.gz GNZCCWKARADJHO-UHFFFAOYSA-N 2 0 305.466 2.871 20 0 DFADRP Cc1cc(C[NH2+]C[C@H](C(C)C)N2CC[NH+](C)CC2)c(C)s1 ZINC000049687045 282390986 /nfs/dbraw/zinc/39/09/86/282390986.db2.gz DTPBZICKAVVEFH-QGZVFWFLSA-N 2 0 309.523 2.727 20 0 DFADRP c1nc2c(n1[C@H]1CC[N@@H+](Cc3cnc(C4CC4)nc3)C1)CCCC2 ZINC000459486214 299118176 /nfs/dbraw/zinc/11/81/76/299118176.db2.gz FYTAUAZMATWMSS-INIZCTEOSA-N 2 0 323.444 2.876 20 0 DFADRP COC(=O)c1cc([C@H](C)N2CC[C@H](C[NH+]3CCCC3)C2)oc1C ZINC000292625993 398485719 /nfs/dbraw/zinc/48/57/19/398485719.db2.gz NFYKBHRHWHQDSD-DZGCQCFKSA-N 2 0 320.433 2.853 20 0 DFADRP CCO[C@@H]1C[C@H]([NH2+]CC(C)(C)C[NH+]2CCCC2)[C@H]1SC ZINC000459516750 299123884 /nfs/dbraw/zinc/12/38/84/299123884.db2.gz IIJJEMIQGCONSU-RRFJBIMHSA-N 2 0 300.512 2.607 20 0 DFADRP OCCC[NH2+][C@@H]1CCCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000279612115 215004501 /nfs/dbraw/zinc/00/45/01/215004501.db2.gz QZGQBOJMUJVGIK-CEXWTWQISA-N 2 0 302.462 2.649 20 0 DFADRP c1ccc(C[N@H+]2C[C@@H]3CCC[C@H]([NH2+]C[C@@H]4CCOC4)[C@H]3C2)cc1 ZINC000272681713 210085343 /nfs/dbraw/zinc/08/53/43/210085343.db2.gz NDUJZMLWGAPHQJ-MUGJNUQGSA-N 2 0 314.473 2.913 20 0 DFADRP CCCC[C@H]([NH3+])C(=O)NC[C@@H](c1ccsc1)[NH+](CC)CC ZINC000236810800 535045268 /nfs/dbraw/zinc/04/52/68/535045268.db2.gz XWSXFRRQTBGNFJ-GJZGRUSLSA-N 2 0 311.495 2.765 20 0 DFADRP CCCN(CC)C[C@H](C)[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000459561767 299133782 /nfs/dbraw/zinc/13/37/82/299133782.db2.gz SIUSGGVYGPHJMC-INIZCTEOSA-N 2 0 304.482 2.760 20 0 DFADRP C[C@H]([NH2+][C@H]1CCCOCC1)c1ccc(OCC[NH+](C)C)cc1 ZINC000183345764 199578859 /nfs/dbraw/zinc/57/88/59/199578859.db2.gz LXXUNFUXYHJLLV-RDJZCZTQSA-N 2 0 306.450 2.847 20 0 DFADRP COc1ccc([C@H](C)[NH2+]C2CCN(CC[NH+](C)C)CC2)c(C)c1 ZINC000414073976 295764083 /nfs/dbraw/zinc/76/40/83/295764083.db2.gz WJMQMCCPJOASPG-INIZCTEOSA-N 2 0 319.493 2.680 20 0 DFADRP C[NH+](C)Cc1cccc(NC(=O)NCC2(C)CC[NH+](C)CC2)c1 ZINC000272620011 210020610 /nfs/dbraw/zinc/02/06/10/210020610.db2.gz WBFQZKZUXSQZDI-UHFFFAOYSA-N 2 0 318.465 2.602 20 0 DFADRP CC[C@@H]1OCC[C@H]1[NH2+][C@H](C)c1ccc(OCC[NH+](C)C)cc1 ZINC000414218026 295778532 /nfs/dbraw/zinc/77/85/32/295778532.db2.gz ZEUWEIBAJJPJPI-OLMNPRSZSA-N 2 0 306.450 2.845 20 0 DFADRP CC[NH+](CC)[C@@H](CNC(=O)C[C@@H]1CCC[NH2+]C1)c1ccccc1 ZINC000320316116 398547755 /nfs/dbraw/zinc/54/77/55/398547755.db2.gz DCAUKGJMYYCUNL-WMZOPIPTSA-N 2 0 317.477 2.575 20 0 DFADRP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3cccc(-n4cccn4)c3)CC[C@@H]21 ZINC000092043092 398555308 /nfs/dbraw/zinc/55/53/08/398555308.db2.gz RTLNTEFTTGSABZ-MJGOQNOKSA-N 2 0 310.445 2.788 20 0 DFADRP COC(=O)c1ccc(CNC[C@H]2CCC[N@@H+](C(C)C)C2)cc1F ZINC000597055939 398556464 /nfs/dbraw/zinc/55/64/64/398556464.db2.gz TZRNDKBKUKPOPV-OAHLLOKOSA-N 2 0 322.424 2.822 20 0 DFADRP CC[NH+]1CCC(CC[NH2+]Cc2ccc(C(=O)OC)c(F)c2)CC1 ZINC000597061634 398559228 /nfs/dbraw/zinc/55/92/28/398559228.db2.gz RMJWYNYEFWQYNW-UHFFFAOYSA-N 2 0 322.424 2.824 20 0 DFADRP CC(C)[NH+]1CCC(C(=O)NC[C@@H](c2ccccc2)[NH+](C)C)CC1 ZINC000080976969 282627916 /nfs/dbraw/zinc/62/79/16/282627916.db2.gz YBSNDEAYHCJJFD-SFHVURJKSA-N 2 0 317.477 2.526 20 0 DFADRP CN1CC(C[N@H+](C)Cc2ccc(C(=O)OC(C)(C)C)cc2)C1 ZINC000597205875 398590097 /nfs/dbraw/zinc/59/00/97/398590097.db2.gz LUQMTXPBPAJNQK-UHFFFAOYSA-N 2 0 304.434 2.635 20 0 DFADRP [NH3+]CCC1CC[NH+](CCC(=O)Nc2ccccc2Cl)CC1 ZINC000070188276 398593194 /nfs/dbraw/zinc/59/31/94/398593194.db2.gz VAWLDRVMDOECDA-UHFFFAOYSA-N 2 0 309.841 2.729 20 0 DFADRP C[C@H]([NH2+]CCCC[NH+]1C[C@@H](C)O[C@H](C)C1)c1ccc(F)cn1 ZINC000092742008 398597403 /nfs/dbraw/zinc/59/74/03/398597403.db2.gz DLOLXAWMSMEJRA-KFWWJZLASA-N 2 0 309.429 2.761 20 0 DFADRP CC(C)C[C@H]1CCC[N@@H+]1C[C@@H](O)CN(C)Cc1ccccc1 ZINC000590126324 398598148 /nfs/dbraw/zinc/59/81/48/398598148.db2.gz DTUVQEZETRROIB-MOPGFXCFSA-N 2 0 304.478 2.990 20 0 DFADRP CC[C@@H]([NH2+]Cc1ccccc1C[NH2+]C)C1(C(=O)OC)CCC1 ZINC000593321227 398598463 /nfs/dbraw/zinc/59/84/63/398598463.db2.gz GTEPYHAWGKSMJZ-MRXNPFEDSA-N 2 0 304.434 2.618 20 0 DFADRP CCC[C@@H](C(=O)Nc1cccc2c1CC[N@H+](CC)C2)[NH+](C)C ZINC000092762294 398600096 /nfs/dbraw/zinc/60/00/96/398600096.db2.gz CHDKFEUTHXSCAG-KRWDZBQOSA-N 2 0 303.450 2.733 20 0 DFADRP CC(C)[N@H+](C)CC(=O)NCC1([NH+]2CCCCC2)CCCCC1 ZINC000070944653 398604695 /nfs/dbraw/zinc/60/46/95/398604695.db2.gz GNIBLLKUTSGRNU-UHFFFAOYSA-N 2 0 309.498 2.632 20 0 DFADRP C[N@@H+]1CCC[C@H]2C[NH+](Cc3ccc(-n4ccnc4)cc3)CC[C@@H]21 ZINC000139833879 186024304 /nfs/dbraw/zinc/02/43/04/186024304.db2.gz RBNYWZUHCKAIMQ-HKUYNNGSSA-N 3 0 310.445 2.788 20 0 DFADRP CCc1ccc(NC(=O)CN2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)cc1 ZINC000139844344 186024907 /nfs/dbraw/zinc/02/49/07/186024907.db2.gz STZNPVLFGXGMLO-AEFFLSMTSA-N 2 0 315.461 2.604 20 0 DFADRP CC(C)n1cnnc1[C@@H]1CCC[N@H+](CC[C@@H]2CCC[NH+]2C)C1 ZINC000093201867 398623841 /nfs/dbraw/zinc/62/38/41/398623841.db2.gz SWONOUOJXWTPAW-CVEARBPZSA-N 2 0 305.470 2.523 20 0 DFADRP CCc1cccc(C)c1NC(=O)CN(C)C[C@H]1CCC[N@H+](C)C1 ZINC000152429646 186072107 /nfs/dbraw/zinc/07/21/07/186072107.db2.gz WQLDOTUZKRUEIR-INIZCTEOSA-N 2 0 317.477 2.770 20 0 DFADRP COCCOc1ccc([C@H](C)[NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000152408078 186069079 /nfs/dbraw/zinc/06/90/79/186069079.db2.gz DSQWRCJCJANGPJ-JKSUJKDBSA-N 2 0 318.461 2.847 20 0 DFADRP COCCOc1ccc([C@@H](C)[NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000152407984 186069363 /nfs/dbraw/zinc/06/93/63/186069363.db2.gz DSQWRCJCJANGPJ-CVEARBPZSA-N 2 0 318.461 2.847 20 0 DFADRP C[C@H]([NH2+]C[C@@H](O)C(C)(C)C)c1ccc(OCC[NH+](C)C)cc1 ZINC000164014764 186146078 /nfs/dbraw/zinc/14/60/78/186146078.db2.gz MHHKSZMBKKHZDT-WMLDXEAASA-N 2 0 308.466 2.685 20 0 DFADRP C[NH+](C)Cc1c2ccccc2oc1C(=O)NCC(C)(C)[NH+](C)C ZINC000072812362 398637878 /nfs/dbraw/zinc/63/78/78/398637878.db2.gz QKDMMPDGIPRJCA-UHFFFAOYSA-N 2 0 317.433 2.564 20 0 DFADRP CN(C)c1ncc(C[NH+]2CCC(CCC[NH+](C)C)CC2)s1 ZINC000093688594 398643190 /nfs/dbraw/zinc/64/31/90/398643190.db2.gz SPFXJBUPJSZENJ-UHFFFAOYSA-N 2 0 310.511 2.763 20 0 DFADRP C[C@@H]1C[N@@H+](CCC2CC[NH+](Cc3ccn(C)c3)CC2)C[C@H](C)O1 ZINC000093844289 398647795 /nfs/dbraw/zinc/64/77/95/398647795.db2.gz ANXSGWLRUZIRLS-CALCHBBNSA-N 2 0 319.493 2.736 20 0 DFADRP COC(=O)[C@@H]1CCC[C@@H]1[NH2+]C1CC[NH+]([C@H]2CCC[C@@H](C)C2)CC1 ZINC000590658602 398647314 /nfs/dbraw/zinc/64/73/14/398647314.db2.gz UOOGCOMDGBYESH-SPUZQDLCSA-N 2 0 322.493 2.961 20 0 DFADRP C[C@H](CC(=O)Nc1cccc(C[NH+](C)C)c1)[C@H]1CCC[NH2+]C1 ZINC000237480221 186295699 /nfs/dbraw/zinc/29/56/99/186295699.db2.gz KJHZORYBZDLDPV-ZBFHGGJFSA-N 2 0 303.450 2.713 20 0 DFADRP CC[NH+](CC)CCSCC(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000266840045 186355253 /nfs/dbraw/zinc/35/52/53/186355253.db2.gz OCKQDEOVIYHIHH-UHFFFAOYSA-N 2 0 323.506 2.762 20 0 DFADRP CC[NH+](CC)CCN(CCC(F)(F)F)C[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000414710411 295818199 /nfs/dbraw/zinc/81/81/99/295818199.db2.gz QYYMOIQELXZFGE-LSDHHAIUSA-N 2 0 323.447 2.971 20 0 DFADRP COCC[C@H](Cc1cccc(F)c1)[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000414822269 295822202 /nfs/dbraw/zinc/82/22/02/295822202.db2.gz CNKWMBUEGLOZEU-SOABOVLPSA-N 2 0 306.425 2.646 20 0 DFADRP C[C@H](CC(=O)Nc1ccc(F)cc1)[NH2+][C@H](C)[C@H]1CCC[NH2+]C1 ZINC000414823127 295822310 /nfs/dbraw/zinc/82/23/10/295822310.db2.gz AZRVLMNZBMRGKC-MCIONIFRSA-N 2 0 307.413 2.521 20 0 DFADRP CCOc1cc(C[NH2+]C[C@@H]2CCC[NH2+]C2)cc(Cl)c1OC ZINC000414830544 295823223 /nfs/dbraw/zinc/82/32/23/295823223.db2.gz ORZCZXCWNQODLJ-GFCCVEGCSA-N 2 0 312.841 2.837 20 0 DFADRP C[C@H](CC(=O)Nc1cccc(F)c1)[NH2+]CC[C@H]1CCC[NH2+]C1 ZINC000414830212 295823233 /nfs/dbraw/zinc/82/32/33/295823233.db2.gz BYBXZFDEVNBUJA-ZIAGYGMSSA-N 2 0 307.413 2.522 20 0 DFADRP Fc1ccc(C[NH2+]C[C@H]2CCC[NH2+]C2)cc1Br ZINC000414826106 295822711 /nfs/dbraw/zinc/82/27/11/295822711.db2.gz IMIICRXJBRJGMQ-NSHDSACASA-N 2 0 301.203 2.677 20 0 DFADRP COc1ccc(CC[C@H](C)[NH2+]CC[C@@H]2CCC[NH2+]C2)cc1O ZINC000414833187 295823901 /nfs/dbraw/zinc/82/39/01/295823901.db2.gz GHKQMDISVSVCEE-HOCLYGCPSA-N 2 0 306.450 2.701 20 0 DFADRP Clc1ccccc1CN1CCC([NH2+]CC[C@H]2CC[NH2+]C2)CC1 ZINC000414835390 295823983 /nfs/dbraw/zinc/82/39/83/295823983.db2.gz RRLRWOMCZDTPIG-OAHLLOKOSA-N 2 0 321.896 2.894 20 0 DFADRP Cc1ccc(C[NH2+]CC[C@H]2CCC[NH2+]C2)c(-c2cnn(C)c2)c1 ZINC000414847191 295825399 /nfs/dbraw/zinc/82/53/99/295825399.db2.gz VMONWHYWWZJNPM-MRXNPFEDSA-N 2 0 312.461 2.875 20 0 DFADRP COc1ccc(C[C@@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1OC ZINC000414841969 295824992 /nfs/dbraw/zinc/82/49/92/295824992.db2.gz ZTUQOGILJIQCNP-SLHHOWHOSA-N 2 0 304.434 2.507 20 0 DFADRP Cc1cccc(NC(=O)C[C@@H](C)[NH2+]CC[C@H]2CCC[NH2+]C2)c1C ZINC000414847156 295825650 /nfs/dbraw/zinc/82/56/50/295825650.db2.gz VIMZVZJJKRNKHV-NVXWUHKLSA-N 2 0 317.477 3.000 20 0 DFADRP C[C@H]([NH2+]Cc1ccc(OC(F)F)c(F)c1)[C@H]1CCC[NH2+]C1 ZINC000414846214 295825448 /nfs/dbraw/zinc/82/54/48/295825448.db2.gz DUQAVXLIBGJDEE-JQWIXIFHSA-N 2 0 302.340 2.905 20 0 DFADRP C[C@@H](C[NH3+])C[NH2+]Cc1cc(Cl)ccc1OC[C@H]1CCCO1 ZINC000414874159 295828886 /nfs/dbraw/zinc/82/88/86/295828886.db2.gz IJCNSOBBKRBPSD-SWLSCSKDSA-N 2 0 312.841 2.582 20 0 DFADRP C[C@H](C[NH3+])C[NH2+]C1CCN(Cc2c(F)cccc2Cl)CC1 ZINC000414883487 295829921 /nfs/dbraw/zinc/82/99/21/295829921.db2.gz VCNOBZMBZAKLLV-GFCCVEGCSA-N 2 0 313.848 2.628 20 0 DFADRP C[C@H](CC[NH3+])[NH2+]Cc1ccc(OC(F)F)c(Br)c1 ZINC000414893119 295831463 /nfs/dbraw/zinc/83/14/63/295831463.db2.gz XRLIPODJYXDKCC-MRVPVSSYSA-N 2 0 323.181 2.877 20 0 DFADRP C[C@H](CC[NH3+])[NH2+]Cc1cc(Br)ccc1OC(F)F ZINC000414894732 295831258 /nfs/dbraw/zinc/83/12/58/295831258.db2.gz LLOLIHRWQONQQB-MRVPVSSYSA-N 2 0 323.181 2.877 20 0 DFADRP C[C@@]1(C[NH2+]Cc2ccc(OC[C@H]3CCCO3)cc2)CCC[NH2+]C1 ZINC000414898604 295832056 /nfs/dbraw/zinc/83/20/56/295832056.db2.gz GMIPRPHQWPVTJJ-RTBURBONSA-N 2 0 318.461 2.724 20 0 DFADRP Cc1ccc(C[NH2+]CC2(C)CC[NH2+]CC2)c(-c2cnn(C)c2)c1 ZINC000414907255 295833205 /nfs/dbraw/zinc/83/32/05/295833205.db2.gz QEFXVYMMXGLXEC-UHFFFAOYSA-N 2 0 312.461 2.875 20 0 DFADRP Cc1ccc(NC(=O)C[C@H](C)[NH2+]C[C@@H]2CC[NH2+]C2)cc1Cl ZINC000414916208 295834437 /nfs/dbraw/zinc/83/44/37/295834437.db2.gz PBBSHMQEFPIHHK-QWHCGFSZSA-N 2 0 309.841 2.565 20 0 DFADRP Cn1ncc2c1CCC[C@@H]2[NH2+]Cc1ccc(F)c(C[NH+](C)C)c1 ZINC000120981492 282798057 /nfs/dbraw/zinc/79/80/57/282798057.db2.gz HMXATNLEPVVIAR-KRWDZBQOSA-N 2 0 316.424 2.788 20 0 DFADRP NC(=O)[C@@H]1CCC[N@H+](CCC[NH2+][C@H]2CCc3ccccc32)C1 ZINC000331697582 234010223 /nfs/dbraw/zinc/01/02/23/234010223.db2.gz DFYSESUKWLKIMQ-WBVHZDCISA-N 2 0 301.434 2.901 20 0 DFADRP C[C@H](CC(=O)Nc1ccc(F)cc1)[NH2+]CCC[C@H]1CCC[NH2+]1 ZINC000414968438 295842375 /nfs/dbraw/zinc/84/23/75/295842375.db2.gz ICLYVJHPQHZROV-HIFRSBDPSA-N 2 0 307.413 2.665 20 0 DFADRP c1nc(-c2ccccn2)sc1C[NH2+]CCC[C@@H]1CCC[NH2+]1 ZINC000414983562 295843916 /nfs/dbraw/zinc/84/39/16/295843916.db2.gz ZWKKTIARCSPWOX-CYBMUJFWSA-N 2 0 302.447 2.827 20 0 DFADRP C[N@@H+]1CCC[C@H](CC[NH2+]Cc2c[nH]nc2-c2ccsc2)C1 ZINC000459777315 299189572 /nfs/dbraw/zinc/18/95/72/299189572.db2.gz KPCUJNFGCKKFAN-CYBMUJFWSA-N 2 0 304.463 2.960 20 0 DFADRP CC(C)(C)CC(=O)N1CCC([NH2+]CCC[C@@H]2CCC[NH2+]2)CC1 ZINC000414978735 295843356 /nfs/dbraw/zinc/84/33/56/295843356.db2.gz UKWQAJLTANQGOQ-HNNXBMFYSA-N 2 0 309.498 2.535 20 0 DFADRP COCC1(C[NH2+][C@H](C)Cc2ccccc2SC)CC[NH2+]CC1 ZINC000414977986 295843454 /nfs/dbraw/zinc/84/34/54/295843454.db2.gz RUGWZZDOQOXQLH-OAHLLOKOSA-N 2 0 322.518 2.945 20 0 DFADRP COCC1(C[NH2+][C@@H](C)Cc2ccccc2SC)CC[NH2+]CC1 ZINC000414977985 295843511 /nfs/dbraw/zinc/84/35/11/295843511.db2.gz RUGWZZDOQOXQLH-HNNXBMFYSA-N 2 0 322.518 2.945 20 0 DFADRP COCC1(C[NH2+][C@H](C)CCc2ccc(OC)cc2)CC[NH2+]CC1 ZINC000414980093 295843593 /nfs/dbraw/zinc/84/35/93/295843593.db2.gz VPQUGMLXZCDNLE-MRXNPFEDSA-N 2 0 320.477 2.622 20 0 DFADRP Cc1nn(-c2cccc(F)c2)cc1C[NH2+]C[C@@H]1CCC[C@H]([NH3+])C1 ZINC000414990722 295844675 /nfs/dbraw/zinc/84/46/75/295844675.db2.gz AMYDCBZXBXOGGJ-PBHICJAKSA-N 2 0 316.424 2.927 20 0 DFADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+]Cc1ccc(OCC(F)F)cc1 ZINC000414988142 295844366 /nfs/dbraw/zinc/84/43/66/295844366.db2.gz KKBNTKGQNSPFKN-HFZWIWRYSA-N 2 0 310.388 2.936 20 0 DFADRP CCOC(=O)[C@@H]1CC[C@H]([NH2+]CC[C@@H]2CCC[N@H+](C)C2)C[C@@H]1C ZINC000459781798 299190860 /nfs/dbraw/zinc/19/08/60/299190860.db2.gz MMGHIHDVZUCIDI-LUKYLMHMSA-N 2 0 310.482 2.676 20 0 DFADRP c1cc(CCC[NH2+][C@@H]2C[C@H]2C2CC[NH2+]CC2)cc2c1OCC2 ZINC000415001569 295846028 /nfs/dbraw/zinc/84/60/28/295846028.db2.gz CNJMFKZHDVZWKP-ZWKOTPCHSA-N 2 0 300.446 2.532 20 0 DFADRP C[C@@H](CCc1ccc2c(c1)OCO2)[NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000415005691 295846493 /nfs/dbraw/zinc/84/64/93/295846493.db2.gz JLNJWJVJYMFCII-RRQGHBQHSA-N 2 0 316.445 2.714 20 0 DFADRP CC[N@H+](C)[C@H](C(=O)N1CCC[C@@H]([NH2+]C(C)C)C1)c1ccccc1 ZINC000590810151 398679563 /nfs/dbraw/zinc/67/95/63/398679563.db2.gz FFJHMJJIGPMYPV-MSOLQXFVSA-N 2 0 317.477 2.668 20 0 DFADRP CC(=O)N1CCC([NH2+]CC2([NH+]3CCCCC3)CCCCC2)CC1 ZINC000072726030 191222444 /nfs/dbraw/zinc/22/24/44/191222444.db2.gz MMPBDKCPGPYVTR-UHFFFAOYSA-N 2 0 321.509 2.776 20 0 DFADRP O=C1CCCN1CCC[N@@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000590819456 398680953 /nfs/dbraw/zinc/68/09/53/398680953.db2.gz JSIGAZVTMYGSGP-GOSISDBHSA-N 2 0 321.509 2.587 20 0 DFADRP CCOC(=O)[C@@H]1CC[C@@H]([NH2+]C[C@H]2CC[C@H](C[NH3+])CC2)C[C@@H]1C ZINC000415018790 295847572 /nfs/dbraw/zinc/84/75/72/295847572.db2.gz CIQPYDYEPNKYDZ-SMLCLMEVSA-N 2 0 310.482 2.709 20 0 DFADRP Cc1nn(Cc2ccccc2)c(C)c1C[NH2+][C@H](C)CCC[NH3+] ZINC000415018935 295847850 /nfs/dbraw/zinc/84/78/50/295847850.db2.gz HMWYVHLMDSRWAB-CQSZACIVSA-N 2 0 300.450 2.765 20 0 DFADRP CSc1cc2c(cc1C[NH2+][C@@H](C)CCCC[NH3+])OCCO2 ZINC000415020822 295847902 /nfs/dbraw/zinc/84/79/02/295847902.db2.gz XRLRBYUKPHMZGI-LBPRGKRZSA-N 2 0 310.463 2.787 20 0 DFADRP [NH3+][C@@H]1CCC[C@H](C[NH2+]Cc2ncc(Br)s2)C1 ZINC000415013229 295847256 /nfs/dbraw/zinc/84/72/56/295847256.db2.gz YEWDTQAKFPFVIK-DTWKUNHWSA-N 2 0 304.257 2.513 20 0 DFADRP COc1cccc(NC(=O)C[C@H](C)[NH2+]C[C@H]2CCC[C@H]([NH3+])C2)c1 ZINC000415014351 295847458 /nfs/dbraw/zinc/84/74/58/295847458.db2.gz ZKCGRBCQJXTDFY-KKUMJFAQSA-N 2 0 319.449 2.519 20 0 DFADRP CC[NH+](CC)C[C@@H]1CC[N@H+](CCC(=O)Nc2ccccc2C)C1 ZINC000072803437 191231927 /nfs/dbraw/zinc/23/19/27/191231927.db2.gz ODORCZVJAFUDHB-KRWDZBQOSA-N 2 0 317.477 2.987 20 0 DFADRP C[C@H](CCC[NH3+])[NH2+]Cc1csc(-c2ccc3c(c2)OCO3)n1 ZINC000415026393 295848352 /nfs/dbraw/zinc/84/83/52/295848352.db2.gz UEGQHGPGJYVVBE-LLVKDONJSA-N 2 0 319.430 2.756 20 0 DFADRP COc1cc(C[NH2+][C@H]2CC[C@@H](C[NH3+])C2)c(SC)cc1OC ZINC000415028072 295848605 /nfs/dbraw/zinc/84/86/05/295848605.db2.gz CCOWAVDFGQKTAY-YPMHNXCESA-N 2 0 310.463 2.643 20 0 DFADRP [NH3+]C[C@@H]1CC[C@@H]([NH2+]Cc2c[nH]nc2-c2c(F)cccc2F)C1 ZINC000415027835 295848608 /nfs/dbraw/zinc/84/86/08/295848608.db2.gz BSIHASOEQMTQPW-ZYHUDNBSSA-N 2 0 306.360 2.572 20 0 DFADRP [NH3+]C[C@H]1CC[C@H]([NH2+]Cc2ccc(Br)cc2F)C1 ZINC000415029069 295848612 /nfs/dbraw/zinc/84/86/12/295848612.db2.gz DFMHYOQSEJOUHN-CABZTGNLSA-N 2 0 301.203 2.805 20 0 DFADRP [NH3+]C[C@H]1CC[C@@H]([NH2+]Cc2ccc(OCc3ccncc3)cc2)C1 ZINC000415043876 295850535 /nfs/dbraw/zinc/85/05/35/295850535.db2.gz SDTXVZXDBWLJIX-ZWKOTPCHSA-N 2 0 311.429 2.878 20 0 DFADRP COc1ccc(-c2ccncc2)cc1C[NH2+][C@H]1CC[C@H](C[NH3+])C1 ZINC000415041064 295850143 /nfs/dbraw/zinc/85/01/43/295850143.db2.gz PMTNMSGLWUZION-KSSFIOAISA-N 2 0 311.429 2.974 20 0 DFADRP C([NH2+][C@@H]1CCC[C@@H]2C[C@@H]21)C1(C[NH2+][C@@H]2CCC[C@@H]3C[C@@H]32)COC1 ZINC000459790445 299194326 /nfs/dbraw/zinc/19/43/26/299194326.db2.gz SFTOWHWANKLCTP-GVLSGGHMSA-N 2 0 304.478 2.559 20 0 DFADRP COC(=O)c1coc(C[NH2+][C@H](CCC[NH3+])c2ccccc2)c1 ZINC000415051410 295851672 /nfs/dbraw/zinc/85/16/72/295851672.db2.gz JPYYPILPUZXMLC-MRXNPFEDSA-N 2 0 302.374 2.636 20 0 DFADRP COc1cccc(C[NH2+][C@H](C)CCCC[NH3+])c1OC(F)F ZINC000415069800 295854461 /nfs/dbraw/zinc/85/44/61/295854461.db2.gz XOLDDBRKJHNRDR-LLVKDONJSA-N 2 0 302.365 2.904 20 0 DFADRP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]23)CO1 ZINC000401870358 398689028 /nfs/dbraw/zinc/68/90/28/398689028.db2.gz BLLUCVAOPBBQTC-IQZDNPOKSA-N 2 0 300.446 2.664 20 0 DFADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+][C@@H]1CCN(c2ccccn2)C1 ZINC000415079984 295855616 /nfs/dbraw/zinc/85/56/16/295855616.db2.gz IOOIEAJJNYNAKZ-IXDOHACOSA-N 2 0 302.466 2.561 20 0 DFADRP [NH3+]CC1CCC([NH2+]C2CCN(Cc3ccccc3)CC2)CC1 ZINC000415085283 295856174 /nfs/dbraw/zinc/85/61/74/295856174.db2.gz SHQGINBFEXZIOM-UHFFFAOYSA-N 2 0 301.478 2.758 20 0 DFADRP C[C@@]1(C[NH2+][C@@H]2CCCN(c3ccccc3Cl)C2)CC[NH2+]C1 ZINC000415083518 295855966 /nfs/dbraw/zinc/85/59/66/295855966.db2.gz NMKLTRHIPUYWEB-RHSMWYFYSA-N 2 0 307.869 2.898 20 0 DFADRP COc1ccc(OCC[NH2+][C@H](C)C[C@H]2CCCCC[NH2+]2)cc1 ZINC000415090819 295856757 /nfs/dbraw/zinc/85/67/57/295856757.db2.gz PCPWUCKSJMCKSJ-HZPDHXFCSA-N 2 0 306.450 2.974 20 0 DFADRP C[N@@H+]1CCCN(CCC[NH2+]Cc2cc3ccccc3o2)CC1 ZINC000105476757 398693608 /nfs/dbraw/zinc/69/36/08/398693608.db2.gz DHJPJBNPVHCQLJ-UHFFFAOYSA-N 2 0 301.434 2.550 20 0 DFADRP COc1ccc2c(c1)OC[C@H]([NH2+][C@@H](C)C[C@H]1CCCCC[NH2+]1)C2 ZINC000415113793 295859677 /nfs/dbraw/zinc/85/96/77/295859677.db2.gz SNZVXMKDBFYDAC-USXIJHARSA-N 2 0 318.461 2.899 20 0 DFADRP C[NH+](C)[C@H]1CCC[N@H+](CCc2nc(-c3ccccc3)no2)CC1 ZINC000277114353 213302695 /nfs/dbraw/zinc/30/26/95/213302695.db2.gz HIFNSYSYMHBANS-INIZCTEOSA-N 2 0 314.433 2.695 20 0 DFADRP C[C@@H]1C[C@H]([NH2+]Cc2ccc(OCCC[NH+](C)C)cc2)CC[N@@H+]1C ZINC000174517259 198345179 /nfs/dbraw/zinc/34/51/79/198345179.db2.gz YVLBLBWOBXKIIA-SJLPKXTDSA-N 3 0 319.493 2.589 20 0 DFADRP [NH3+][C@H]1CCO[C@@H](C2CC[NH+](Cc3ccc4c(c3)CCC4)CC2)C1 ZINC000415131079 295862556 /nfs/dbraw/zinc/86/25/56/295862556.db2.gz YLJPOILRUOPSJQ-VQTJNVASSA-N 2 0 314.473 2.894 20 0 DFADRP C[C@H]1CC[C@H]([NH2+]CC2(N)CC[NH+](Cc3ccccc3)CC2)C1 ZINC000415135791 295863466 /nfs/dbraw/zinc/86/34/66/295863466.db2.gz QPVBBCUFTFAGQR-WMZOPIPTSA-N 2 0 301.478 2.758 20 0 DFADRP CC[NH+](CC)[C@@H](CNC(=O)C1CC[NH+](C)CC1)c1ccsc1 ZINC000174625939 198361737 /nfs/dbraw/zinc/36/17/37/198361737.db2.gz ZMJWFUJHRBGSFJ-INIZCTEOSA-N 2 0 323.506 2.589 20 0 DFADRP Cc1ccc(C[NH+]2CCC([C@H]3OCCC[C@@H]3[NH3+])CC2)cc1F ZINC000415137206 295863678 /nfs/dbraw/zinc/86/36/78/295863678.db2.gz XYFLJNFYJHCQOL-ZWKOTPCHSA-N 2 0 306.425 2.852 20 0 DFADRP C[C@H](C[NH+]1CCC(O)(C[NH3+])CC1)c1ccc(C(F)(F)F)cc1 ZINC000415142995 295864295 /nfs/dbraw/zinc/86/42/95/295864295.db2.gz AFJIFKXAUPHRCD-GFCCVEGCSA-N 2 0 316.367 2.595 20 0 DFADRP COCCOc1ccc([C@@H](C)[NH2+]CC2CC[NH+](C)CC2)cc1 ZINC000126235378 282904565 /nfs/dbraw/zinc/90/45/65/282904565.db2.gz AMKIKMRKWZDATF-OAHLLOKOSA-N 2 0 306.450 2.704 20 0 DFADRP FC(F)(F)[C@@H]1C[C@@H]([NH2+]C2CC([NH+]3CCCCC3)C2)CCO1 ZINC000368574130 282912508 /nfs/dbraw/zinc/91/25/08/282912508.db2.gz JJDVGGNKVKELHP-ABXWRUBCSA-N 2 0 306.372 2.703 20 0 DFADRP CC[N@@H+]1CC[C@H](N(C)C(=O)c2cccc(C[NH+](C)C)c2)[C@H](C)C1 ZINC000073949161 398711867 /nfs/dbraw/zinc/71/18/67/398711867.db2.gz GOFTUMCIJPOCHD-QAPCUYQASA-N 2 0 317.477 2.551 20 0 DFADRP CC(C)[NH+](CCNC(=O)[C@H](C)[C@H]([NH3+])c1ccccc1)C(C)C ZINC000236783995 202006188 /nfs/dbraw/zinc/00/61/88/202006188.db2.gz PNXHWDZZSKHQSK-WBVHZDCISA-N 2 0 305.466 2.558 20 0 DFADRP CC(C)[NH+](CCNC(=O)[C@H](C)[C@@H]([NH3+])c1ccccc1)C(C)C ZINC000236783932 202006686 /nfs/dbraw/zinc/00/66/86/202006686.db2.gz PNXHWDZZSKHQSK-NVXWUHKLSA-N 2 0 305.466 2.558 20 0 DFADRP COc1ccc(OCCC[N@@H+]2CCC[C@H]([NH+](C)C)CC2)cc1 ZINC000277033761 213253277 /nfs/dbraw/zinc/25/32/77/213253277.db2.gz BHXDXHYHCQEAIY-INIZCTEOSA-N 2 0 306.450 2.880 20 0 DFADRP CN1CC[NH+](CCCC[NH2+][C@@H]2CCC[C@@H](C(F)(F)F)C2)CC1 ZINC000129279076 283009013 /nfs/dbraw/zinc/00/90/13/283009013.db2.gz WVUKVMGNLSSCPN-HUUCEWRRSA-N 2 0 321.431 2.725 20 0 DFADRP CC(C)c1ccc(CC[NH2+]CC(C)(C)N2CC[NH+](C)CC2)cc1 ZINC000681112241 545599614 /nfs/dbraw/zinc/59/96/14/545599614.db2.gz CMRWKBDVTWMBTE-UHFFFAOYSA-N 2 0 317.521 2.968 20 0 DFADRP CN1CC[NH+](CCCC[NH2+][C@@H]2CC[C@@H](c3ccccc3)C2)CC1 ZINC000130483226 283050641 /nfs/dbraw/zinc/05/06/41/283050641.db2.gz VOPKHNONRSGRSD-WOJBJXKFSA-N 2 0 315.505 2.940 20 0 DFADRP C[NH+](C)[C@H]1CCc2cc(NC(=O)N[C@@H]3CCCC[C@H]3[NH3+])ccc21 ZINC000332595501 235168536 /nfs/dbraw/zinc/16/85/36/235168536.db2.gz NEHSNALXYPWMFM-ZACQAIPSSA-N 2 0 316.449 2.627 20 0 DFADRP C[NH+](C)[C@H]1CCc2cc(NC(=O)N3CCCC[C@@H]3C[NH3+])ccc21 ZINC000332620472 235208993 /nfs/dbraw/zinc/20/89/93/235208993.db2.gz HSZFBYICWWSJMT-WBVHZDCISA-N 2 0 316.449 2.581 20 0 DFADRP C[NH2+]Cc1ccccc1NC(=O)N[C@H](C)C(C)(C)C[NH+](C)C ZINC000415912891 295901282 /nfs/dbraw/zinc/90/12/82/295901282.db2.gz NICHYXYTVDZNGZ-CYBMUJFWSA-N 2 0 306.454 2.504 20 0 DFADRP C[C@@H]1C[C@@H](C[NH3+])CN1Cc1ccc(Br)cc1F ZINC000131674449 283094325 /nfs/dbraw/zinc/09/43/25/283094325.db2.gz AIPVQBJUTYMNAB-ZJUUUORDSA-N 2 0 301.203 2.757 20 0 DFADRP CCC[NH+]1CCC(N(C)C(=O)Nc2cccc(C[NH2+]C)c2)CC1 ZINC000415919197 295902184 /nfs/dbraw/zinc/90/21/84/295902184.db2.gz MOZAOBCBCRQOTM-UHFFFAOYSA-N 2 0 318.465 2.744 20 0 DFADRP C[C@H](NC(=O)OC(C)(C)C)[C@H]1CCC[N@H+](CCn2ccnc2)C1 ZINC000132066647 283109212 /nfs/dbraw/zinc/10/92/12/283109212.db2.gz TVPFOVOQMBNWCQ-GJZGRUSLSA-N 2 0 322.453 2.508 20 0 DFADRP CCCN(CC[NH+](CC)CC)C(=O)Nc1ccc(C[NH3+])cc1 ZINC000415961898 295906460 /nfs/dbraw/zinc/90/64/60/295906460.db2.gz RWANTSOSIBJQFZ-UHFFFAOYSA-N 2 0 306.454 2.731 20 0 DFADRP C[NH+](C)CC[C@@H](NC(=O)Nc1ccc2c(c1)C[NH2+]C2)C(C)(C)C ZINC000415995744 295909972 /nfs/dbraw/zinc/90/99/72/295909972.db2.gz LELUIWJKJZYMLK-MRXNPFEDSA-N 2 0 318.465 2.778 20 0 DFADRP CC[NH+](CC)[C@@H](C(=O)NC[C@@H](C)[NH+]1CCCC1)c1ccccc1 ZINC000591430232 398759279 /nfs/dbraw/zinc/75/92/79/398759279.db2.gz CRLOKABDOIGMKE-SJLPKXTDSA-N 2 0 317.477 2.670 20 0 DFADRP CSC[C@@](C)(O)C[NH2+]CC(C)(C)C[N@H+](C)Cc1ccccc1 ZINC000080204057 192012656 /nfs/dbraw/zinc/01/26/56/192012656.db2.gz LKPJTIUFFYQRQU-SFHVURJKSA-N 2 0 324.534 2.848 20 0 DFADRP CCC[NH2+]CCNC(=O)c1ccc(C[N@H+](CC)C(C)C)cc1 ZINC000236823056 202027412 /nfs/dbraw/zinc/02/74/12/202027412.db2.gz MWJGNGBLWQIJRR-UHFFFAOYSA-N 2 0 305.466 2.646 20 0 DFADRP CCC[NH+]1CCC(CNC(=O)CC2(C[NH3+])CCCCC2)CC1 ZINC000184227897 199690071 /nfs/dbraw/zinc/69/00/71/199690071.db2.gz KKGXSBITWQOBBB-UHFFFAOYSA-N 2 0 309.498 2.524 20 0 DFADRP CC[C@H]([NH2+][C@@H]1CC12CC[NH2+]CC2)c1ccc(C(=O)OC)cc1 ZINC000591580017 398773856 /nfs/dbraw/zinc/77/38/56/398773856.db2.gz GUVARVLKRZNEFR-JKSUJKDBSA-N 2 0 302.418 2.656 20 0 DFADRP C[C@@H]1C[NH+](CCCC[NH2+]Cc2cnc(C3CC3)s2)C[C@@H](C)O1 ZINC000134251519 283178773 /nfs/dbraw/zinc/17/87/73/283178773.db2.gz OMAKULVALHFKNE-ZIAGYGMSSA-N 2 0 323.506 3.000 20 0 DFADRP C[C@@H](NC(=O)C[C@H](c1ccccc1)[NH+](C)C)C(C)(C)C[NH+](C)C ZINC000416155758 295925356 /nfs/dbraw/zinc/92/53/56/295925356.db2.gz NEQDETWHYCWCMW-NVXWUHKLSA-N 2 0 319.493 2.772 20 0 DFADRP CC[NH+](CC)CCC[C@H](C)NC(=O)[C@H](C)[C@@H]([NH3+])c1ccccc1 ZINC000236858549 202040517 /nfs/dbraw/zinc/04/05/17/202040517.db2.gz WEYQOVPDWDYGPG-LZLYRXPVSA-N 2 0 319.493 2.949 20 0 DFADRP CC[NH+](CC)CCOc1ccc(NC(=O)C2([NH3+])CCCC2)cc1 ZINC000236885222 202051365 /nfs/dbraw/zinc/05/13/65/202051365.db2.gz CJNNNMCWXBEGAB-UHFFFAOYSA-N 2 0 319.449 2.617 20 0 DFADRP CC[NH+](CC)[C@H](CNC(=O)[C@H]1CCC[NH2+]1)c1ccccc1Cl ZINC000236884793 202051815 /nfs/dbraw/zinc/05/18/15/202051815.db2.gz GROHNKHBPXCJBV-HZPDHXFCSA-N 2 0 323.868 2.591 20 0 DFADRP CCC[N@H+](CC)Cc1ccc(C(=O)N2C[C@H](C[NH3+])C[C@H]2C)cc1 ZINC000261865292 283187941 /nfs/dbraw/zinc/18/79/41/283187941.db2.gz RPTQMWFUZBWSDX-WBVHZDCISA-N 2 0 317.477 2.728 20 0 DFADRP CC[C@H](C)[C@H]([NH3+])C(=O)Nc1ccc(CC[NH+]2CCCC2)cc1 ZINC000236925409 202075769 /nfs/dbraw/zinc/07/57/69/202075769.db2.gz FWUNJAHZIUKYLW-YOEHRIQHSA-N 2 0 303.450 2.637 20 0 DFADRP CCC[C@@H]([NH3+])C(=O)NC[C@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC000236954239 202091272 /nfs/dbraw/zinc/09/12/72/202091272.db2.gz ZWHPUSZBAKBHCB-HZPDHXFCSA-N 2 0 323.868 2.721 20 0 DFADRP C(COC[C@@H]1CCCO1)[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000121000232 398784838 /nfs/dbraw/zinc/78/48/38/398784838.db2.gz WWRIJFAJALJPLL-SFHVURJKSA-N 2 0 310.482 2.569 20 0 DFADRP CC[C@@H](C)[C@H]([NH3+])C(=O)Nc1ccc2ccn(CC[NH+](C)C)c2c1 ZINC000236987207 202110029 /nfs/dbraw/zinc/11/00/29/202110029.db2.gz QAUWXQXRHZCIEI-DYVFJYSZSA-N 2 0 316.449 2.515 20 0 DFADRP CC[NH+](CC)[C@@H](C(=O)NCC[C@H]1CCC[NH2+]C1)c1ccccc1 ZINC000237040649 202131818 /nfs/dbraw/zinc/13/18/18/202131818.db2.gz AGRLGVQOBWNSQQ-SJLPKXTDSA-N 2 0 317.477 2.575 20 0 DFADRP C[N@H+](CCCNC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1)C1CCCCC1 ZINC000237070546 202142559 /nfs/dbraw/zinc/14/25/59/202142559.db2.gz ZSUNVGLHMOCKGN-SZMVWBNQSA-N 2 0 321.509 2.678 20 0 DFADRP CC[C@H](C)[C@@H]([NH3+])C(=O)NC[C@@H](c1ccc(C)cc1)[NH+]1CCCC1 ZINC000237077868 202144264 /nfs/dbraw/zinc/14/42/64/202144264.db2.gz SKDHOPPFXJTJKW-RYQLBKOJSA-N 2 0 317.477 2.622 20 0 DFADRP C[NH+](C)Cc1cccc(NC(=O)[C@@H]2C[C@@H]3CCCC[C@@H]3[NH2+]2)c1 ZINC000237074534 202144574 /nfs/dbraw/zinc/14/45/74/202144574.db2.gz ZRSWQSCREHMQKV-XIRDDKMYSA-N 2 0 301.434 2.607 20 0 DFADRP CC[C@H](C)[C@@H]([NH3+])C(=O)NC[C@@H](c1ccsc1)[NH+](CC)CC ZINC000237077748 202145349 /nfs/dbraw/zinc/14/53/49/202145349.db2.gz RLTALRHSJVRQFD-AEGPPILISA-N 2 0 311.495 2.621 20 0 DFADRP CC(C)[N@@H+](C)Cc1cccc(C[NH2+][C@@H](C)Cn2cccn2)c1 ZINC000139125524 283258863 /nfs/dbraw/zinc/25/88/63/283258863.db2.gz MBYHQLDMGURFDO-INIZCTEOSA-N 2 0 300.450 2.902 20 0 DFADRP CC[NH+](CC)Cc1cccc(C[NH2+][C@@H](C)Cn2cccn2)c1 ZINC000138119979 283256202 /nfs/dbraw/zinc/25/62/02/283256202.db2.gz QNFLMPMDALFEAH-INIZCTEOSA-N 2 0 300.450 2.903 20 0 DFADRP CC[NH+](CC)CCCNC(=O)C1CC[NH+](CC2CCCC2)CC1 ZINC000151000312 283273475 /nfs/dbraw/zinc/27/34/75/283273475.db2.gz IOPACFHBQZBJCE-UHFFFAOYSA-N 2 0 323.525 2.737 20 0 DFADRP Cc1ccc(C[C@@H]([NH2+]C[C@@H](O)C[NH+]2CCCCC2)C2CC2)cc1 ZINC000151352872 283282071 /nfs/dbraw/zinc/28/20/71/283282071.db2.gz XEALYAAZRXWCBH-WOJBJXKFSA-N 2 0 316.489 2.753 20 0 DFADRP CC[N@@H+]1CC[C@@H](N(C)Cc2cnn(C)c2C(F)(F)F)[C@H](C)C1 ZINC000151665050 283291693 /nfs/dbraw/zinc/29/16/93/283291693.db2.gz IUOLRHLRWODITO-DGCLKSJQSA-N 2 0 318.387 2.601 20 0 DFADRP C[N@H+](CCC1CCN(c2cc[nH+]cc2)CC1)C[C@H]1CCCO1 ZINC000179391221 199027117 /nfs/dbraw/zinc/02/71/17/199027117.db2.gz KRIMSAXNFQKPOV-GOSISDBHSA-N 2 0 303.450 2.799 20 0 DFADRP COC(=O)c1ccc2c(c1)[C@@H]([NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1)CCC2 ZINC000594512550 398813221 /nfs/dbraw/zinc/81/32/21/398813221.db2.gz VRYWIVHWNUSGKI-XCRHUMRWSA-N 2 0 316.445 2.780 20 0 DFADRP C[C@H](O)C[NH+]1CCC(C[N@H+](C)Cc2cccc3[nH]ccc32)CC1 ZINC000179517952 199049146 /nfs/dbraw/zinc/04/91/46/199049146.db2.gz RLSSHSGFNIFNPV-HNNXBMFYSA-N 2 0 315.461 2.693 20 0 DFADRP C[C@H]1C[C@@H]([NH3+])CC[N@@H+]1CCCc1nc(-c2cccs2)no1 ZINC000129067157 398833466 /nfs/dbraw/zinc/83/34/66/398833466.db2.gz WZJLVGJYYINRRX-RYUDHWBXSA-N 2 0 306.435 2.542 20 0 DFADRP CC[N@H+](C)CCNC1C[C@H]2CC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC000180117400 199119322 /nfs/dbraw/zinc/11/93/22/199119322.db2.gz JDEDNHLNKLCKGV-YQQQUEKLSA-N 2 0 301.478 2.723 20 0 DFADRP CC[NH2+]CC1CC[NH+](Cc2cc3c(c(Cl)c2)OCO3)CC1 ZINC000129988748 398841275 /nfs/dbraw/zinc/84/12/75/398841275.db2.gz FXMCPGOVPSEGJF-UHFFFAOYSA-N 2 0 310.825 2.890 20 0 DFADRP Cn1cnc2cc(C[NH2+]CC(C)(C)C[NH+]3CCCC3)ccc21 ZINC000276679523 213040881 /nfs/dbraw/zinc/04/08/81/213040881.db2.gz HFXBZWQAWIPFRK-UHFFFAOYSA-N 2 0 300.450 2.785 20 0 DFADRP C[C@H]1C[C@H](C)C[NH+](C(C)(C)CNC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC000468107392 299276638 /nfs/dbraw/zinc/27/66/38/299276638.db2.gz ZNLAUDGITTXZKA-QAETUUGQSA-N 2 0 323.525 2.589 20 0 DFADRP COC(=O)[C@@H]1C[C@H]1[C@H](C)[NH2+]Cc1ccc(C[NH+]2CCCC2)cc1 ZINC000594920077 398870850 /nfs/dbraw/zinc/87/08/50/398870850.db2.gz RQEOONQSHYXRIF-JCGIZDLHSA-N 2 0 316.445 2.570 20 0 DFADRP COC(=O)[C@@H]1C[C@H]1[C@@H](C)[NH2+]Cc1ccccc1C[N@H+](C)C(C)C ZINC000594920937 398871636 /nfs/dbraw/zinc/87/16/36/398871636.db2.gz CGXSKFLZRGFMFF-FHLIZLRMSA-N 2 0 318.461 2.814 20 0 DFADRP COCc1csc(C[NH2+]CC2(SC)CC[NH+](C)CC2)c1 ZINC000594942990 398878092 /nfs/dbraw/zinc/87/80/92/398878092.db2.gz FQLOADAFLSZVBK-UHFFFAOYSA-N 2 0 314.520 2.812 20 0 DFADRP COC(=O)[C@@H]1C[C@H]1[C@@H](C)[NH2+]CC1CC[NH+](CCC(C)C)CC1 ZINC000594933625 398875201 /nfs/dbraw/zinc/87/52/01/398875201.db2.gz AJYUIPBEKXQLMJ-HYVNUMGLSA-N 2 0 310.482 2.532 20 0 DFADRP C[C@H]([NH2+]C[C@@H]1CC[C@H](O)C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000276626475 213010154 /nfs/dbraw/zinc/01/01/54/213010154.db2.gz NBDHSZRDRBQWPE-AITUJVMLSA-N 2 0 302.462 2.648 20 0 DFADRP C[C@H](C[N@H+](C)CCN(C)C1CC[NH+](C)CC1)c1ccccc1 ZINC000180946115 199232139 /nfs/dbraw/zinc/23/21/39/199232139.db2.gz PGPFZZKCZWPNQH-QGZVFWFLSA-N 2 0 303.494 2.748 20 0 DFADRP COC(=O)C[C@@H]1CC[C@@H]([NH2+]CC2CC[NH+](CC3CC3)CC2)[C@H]1C ZINC000595001025 398889253 /nfs/dbraw/zinc/88/92/53/398889253.db2.gz PDLQGTZMXMGEJR-JCGIZDLHSA-N 2 0 322.493 2.676 20 0 DFADRP CC(C)CCOCC[NH+]1CCC(OCC[NH+]2CCCC2)CC1 ZINC000173963049 283391972 /nfs/dbraw/zinc/39/19/72/283391972.db2.gz HCRXXAFLSJFBOC-UHFFFAOYSA-N 2 0 312.498 2.626 20 0 DFADRP C[C@H](CSCCF)[NH2+]CC1CCN(c2cc[nH+]cc2)CC1 ZINC000595016454 398892561 /nfs/dbraw/zinc/89/25/61/398892561.db2.gz ZCHLBYWQNJNWSH-CQSZACIVSA-N 2 0 311.470 2.979 20 0 DFADRP CCCN(CCC[NH+](C)C)C(=O)c1sccc1C[NH+](C)C ZINC000276366596 212832761 /nfs/dbraw/zinc/83/27/61/212832761.db2.gz MRAWKLNTFLKUHE-UHFFFAOYSA-N 2 0 311.495 2.614 20 0 DFADRP C[N@@H+]1CC[C@@H]([NH2+]CC2(C(=O)OC(C)(C)C)CCC2)CC1(C)C ZINC000598985858 398903626 /nfs/dbraw/zinc/90/36/26/398903626.db2.gz BMSDTGBFHHXPOV-CQSZACIVSA-N 2 0 310.482 2.961 20 0 DFADRP CC(C)(C)OC(=O)C1(C[NH2+]C2CC[NH+](CC3CC3)CC2)CCC1 ZINC000595098449 398904935 /nfs/dbraw/zinc/90/49/35/398904935.db2.gz DZQQGGPECWMGQB-UHFFFAOYSA-N 2 0 322.493 2.962 20 0 DFADRP CC[NH+]1CCN([C@@H]2CC[N@H+](CCCCc3ccccc3)C2)CC1 ZINC000187002423 200046507 /nfs/dbraw/zinc/04/65/07/200046507.db2.gz UPZJJRLMWDHNDL-HXUWFJFHSA-N 2 0 315.505 2.721 20 0 DFADRP CC[N@@H+]1CC[C@@H](C[NH2+]Cc2ccc3c(c2)COC(C)(C)O3)C1 ZINC000187115380 200064265 /nfs/dbraw/zinc/06/42/65/200064265.db2.gz LKLKBMFRCLTYBL-HNNXBMFYSA-N 2 0 304.434 2.763 20 0 DFADRP COC(=O)CC1CCC([NH2+]CC2CC[NH+](C3CC3)CC2)CC1 ZINC000599043809 398911991 /nfs/dbraw/zinc/91/19/91/398911991.db2.gz MDJUMGGVDPTROW-UHFFFAOYSA-N 2 0 308.466 2.572 20 0 DFADRP COC(=O)CC1CCC([NH2+]C2CC([NH+]3CCCCC3)C2)CC1 ZINC000599044727 398912284 /nfs/dbraw/zinc/91/22/84/398912284.db2.gz CLZMYQQIDSYKGU-UHFFFAOYSA-N 2 0 308.466 2.715 20 0 DFADRP C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)C2([NH3+])CCCCC2)C1 ZINC000237516417 202268719 /nfs/dbraw/zinc/26/87/19/202268719.db2.gz ZAINGNUPLNSQCR-IRXDYDNUSA-N 2 0 321.509 2.761 20 0 DFADRP C[C@@H](C[C@H]1CCCCC[NH2+]1)[NH2+]CCc1ccc2c(c1)OCCO2 ZINC000261742342 296001771 /nfs/dbraw/zinc/00/17/71/296001771.db2.gz OBGBAERQWDZTJN-DOTOQJQBSA-N 2 0 318.461 2.901 20 0 DFADRP C[C@H]1C[NH+](CCCC[NH2+]Cc2cccc(F)c2F)C[C@H](C)O1 ZINC000237668748 202322954 /nfs/dbraw/zinc/32/29/54/202322954.db2.gz FBFWVXXPRMPEOM-KBPBESRZSA-N 2 0 312.404 2.944 20 0 DFADRP CC[NH+]1CCN([C@@H]2CC[N@H+](Cc3cccc(SC)c3)C2)CC1 ZINC000595314679 398920877 /nfs/dbraw/zinc/92/08/77/398920877.db2.gz WAOWVJDKMWVXFA-QGZVFWFLSA-N 2 0 319.518 2.620 20 0 DFADRP CC[NH+]1CCN([C@H]2CC[N@H+](C[C@@H]3CCCCC3(C)C)C2)CC1 ZINC000595311499 398921136 /nfs/dbraw/zinc/92/11/36/398921136.db2.gz HFJUNPMMJFNNOT-ROUUACIJSA-N 2 0 307.526 2.915 20 0 DFADRP CC[NH+]1CCN([C@@H]2CC[N@H+](C[C@H]3CCCCC3(C)C)C2)CC1 ZINC000595311497 398921195 /nfs/dbraw/zinc/92/11/95/398921195.db2.gz HFJUNPMMJFNNOT-QZTJIDSGSA-N 2 0 307.526 2.915 20 0 DFADRP CC[C@@H](CC(F)F)C[N@@H+]1CC[C@@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000595337063 398924396 /nfs/dbraw/zinc/92/43/96/398924396.db2.gz JJPBNPJXCHQADX-JKSUJKDBSA-N 2 0 317.468 2.768 20 0 DFADRP FC(F)COCC[NH2+][C@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000188760437 200300223 /nfs/dbraw/zinc/30/02/23/200300223.db2.gz LTLXIWDBRLAGHY-BBWFWOEESA-N 2 0 324.415 2.768 20 0 DFADRP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@@H]1CC[C@H](Cc2ccccc2)C1 ZINC000189174473 200360442 /nfs/dbraw/zinc/36/04/42/200360442.db2.gz OWNBAJJWVYWJSV-MISYRCLQSA-N 2 0 315.505 2.623 20 0 DFADRP CCc1ccccc1C[N@H+](C)CCN(C)C1CC[NH+](C)CC1 ZINC000189288293 200377023 /nfs/dbraw/zinc/37/70/23/200377023.db2.gz AWMSDEPBEQEJGL-UHFFFAOYSA-N 2 0 303.494 2.707 20 0 DFADRP C[C@@H]([NH2+]C[C@@H](O)C[NH+]1CCCCC1)[C@@H]1C[C@H]1c1cccs1 ZINC000417339465 296011762 /nfs/dbraw/zinc/01/17/62/296011762.db2.gz LCTSNDLPJNBOMS-LVQVYYBASA-N 2 0 308.491 2.677 20 0 DFADRP C[C@@H](Cc1ccccc1)[NH+]1CCC(NCC2([NH+](C)C)CC2)CC1 ZINC000417357760 296013425 /nfs/dbraw/zinc/01/34/25/296013425.db2.gz SBBPOZPKWYCTJY-KRWDZBQOSA-N 2 0 315.505 2.766 20 0 DFADRP CN(C)C1(C[NH2+][C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]23)CC1 ZINC000417351446 296012805 /nfs/dbraw/zinc/01/28/05/296012805.db2.gz CPTZFKCDMIMEIG-CEXWTWQISA-N 2 0 313.489 2.581 20 0 DFADRP C[C@H]([NH2+]CCN1CC=CCC1)c1cccc(OCC[NH+](C)C)c1 ZINC000281222608 216165337 /nfs/dbraw/zinc/16/53/37/216165337.db2.gz UDESWHRMSLGNND-KRWDZBQOSA-N 2 0 317.477 2.540 20 0 DFADRP Cc1cnc(C[N@@H+]2CCCC[C@H]2[C@H](C[NH3+])Cc2ccccc2)cn1 ZINC000471831591 299309027 /nfs/dbraw/zinc/30/90/27/299309027.db2.gz FNJDUGDJKVJWKM-ICSRJNTNSA-N 2 0 324.472 2.957 20 0 DFADRP Cn1cncc1C[N@@H+]1CCCC[C@@H]1[C@H](C[NH3+])Cc1ccccc1 ZINC000471866458 299310954 /nfs/dbraw/zinc/31/09/54/299310954.db2.gz UIJUPZRUFXXBRT-PKOBYXMFSA-N 2 0 312.461 2.592 20 0 DFADRP C[C@@H]([NH3+])CCC(=O)NC[C@@H](c1cccs1)[NH+]1CCC(C)CC1 ZINC000193291117 296017659 /nfs/dbraw/zinc/01/76/59/296017659.db2.gz OPTJUDLENZLGRD-CABCVRRESA-N 2 0 323.506 2.765 20 0 DFADRP Cc1ccc2c(c1)[C@H]([NH2+]C[C@H](C)CN1CC[NH+](C)CC1)[C@@H](C)C2 ZINC000246052617 283568965 /nfs/dbraw/zinc/56/89/65/283568965.db2.gz YIWASZGSWURMHA-ABSDTBQOSA-N 2 0 315.505 2.701 20 0 DFADRP CC[NH+](CC)[C@@H](CNC(=O)[C@H]1CCCC[N@@H+]1C)c1ccccc1 ZINC000599291138 398948421 /nfs/dbraw/zinc/94/84/21/398948421.db2.gz GWLRUPNQOAWCEJ-MSOLQXFVSA-N 2 0 317.477 2.670 20 0 DFADRP CCc1ccccc1NC(=O)C[C@@H](C)[NH2+]CC1=CC[N@H+](C)CC1 ZINC000271910443 209317343 /nfs/dbraw/zinc/31/73/43/209317343.db2.gz XWLJELNJLWKBKB-OAHLLOKOSA-N 2 0 315.461 2.818 20 0 DFADRP C[NH+]1CCN(CCC(C)(C)[NH2+]C/C=C\c2ccc(F)cc2)CC1 ZINC000472131010 299321178 /nfs/dbraw/zinc/32/11/78/299321178.db2.gz UUDOSBNSZKDDPY-PLNGDYQASA-N 2 0 319.468 2.845 20 0 DFADRP Cn1ccnc1CN1CCCC[C@H]1[C@@H](C[NH3+])Cc1ccccc1 ZINC000472344772 299324423 /nfs/dbraw/zinc/32/44/23/299324423.db2.gz LSKKLEOWECOOFH-MSOLQXFVSA-N 2 0 312.461 2.592 20 0 DFADRP C[N@H+](CC1CC1)C[C@H]1CC[NH+](CCc2ccc3c(c2)CCO3)C1 ZINC000472471989 299326598 /nfs/dbraw/zinc/32/65/98/299326598.db2.gz SDHXCRQEDVLVCF-GOSISDBHSA-N 2 0 314.473 2.828 20 0 DFADRP CC[NH+]1CCN(CCC[NH2+]Cc2cccn2CCC(C)C)CC1 ZINC000161638157 398977044 /nfs/dbraw/zinc/97/70/44/398977044.db2.gz YARHIKGLGKRDGD-UHFFFAOYSA-N 2 0 320.525 2.651 20 0 DFADRP CCN(C(=O)C[NH+]1CCC(CC[NH+](C)C)CC1)C1CCCCC1 ZINC000056524937 398978063 /nfs/dbraw/zinc/97/80/63/398978063.db2.gz QLOGEPUAYOHZPG-UHFFFAOYSA-N 2 0 323.525 2.831 20 0 DFADRP COc1ccc(OCC[NH+]2CCC(CC[NH+](C)C)CC2)cc1 ZINC000056522796 398976420 /nfs/dbraw/zinc/97/64/20/398976420.db2.gz FDXBHODAECNKPP-UHFFFAOYSA-N 2 0 306.450 2.738 20 0 DFADRP CC(C)c1ccc(CC[NH2+][C@H](C)CCN2CC[NH+](C)CC2)cc1 ZINC000473064983 299328191 /nfs/dbraw/zinc/32/81/91/299328191.db2.gz MDSKEPXFECNDLA-GOSISDBHSA-N 2 0 317.521 2.968 20 0 DFADRP Cc1nccn1[C@@H]1CCCN(Cc2noc3c2CCCC3)C1 ZINC000595577553 398981093 /nfs/dbraw/zinc/98/10/93/398981093.db2.gz SCGIBCFXCBCBKS-CQSZACIVSA-N 2 0 300.406 2.895 20 0 DFADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC1=CC[NH+](C)CC1 ZINC000271865934 209279261 /nfs/dbraw/zinc/27/92/61/209279261.db2.gz LLEQZWALNBWPFF-YLJYHZDGSA-N 3 0 313.489 2.749 20 0 DFADRP Cc1ccc(C)c(NC(=O)CN2CC[C@]3(C2)CCC[N@@H+](C)C3)c1 ZINC000292881419 223290155 /nfs/dbraw/zinc/29/01/55/223290155.db2.gz FACFNJZCZQRYBJ-LJQANCHMSA-N 2 0 315.461 2.660 20 0 DFADRP [NH2+]=C(NC[C@H]1CC[N@H+](CCc2ccccc2)C1)NC1CCCC1 ZINC000194611516 201262895 /nfs/dbraw/zinc/26/28/95/201262895.db2.gz XBRKIJOVLGATHS-QGZVFWFLSA-N 2 0 314.477 2.608 20 0 DFADRP CC(C)(C(=O)N[C@H](C[NH3+])C1CCCCC1)[C@H]([NH3+])c1ccccc1 ZINC000417800397 296052332 /nfs/dbraw/zinc/05/23/32/296052332.db2.gz SOGCASGBLSWAMM-IAGOWNOFSA-N 2 0 317.477 2.736 20 0 DFADRP [NH3+]CCC[C@@H](NC(=O)C[C@H]([NH3+])c1ccccc1)c1ccccc1 ZINC000417844423 296057122 /nfs/dbraw/zinc/05/71/22/296057122.db2.gz WQAJECHTNLXCKS-ZWKOTPCHSA-N 2 0 311.429 2.673 20 0 DFADRP CC[NH+](CC)[C@@H](CNC(=O)CC[C@@H]1CCC[NH2+]C1)CC(C)C ZINC000621641864 399006021 /nfs/dbraw/zinc/00/60/21/399006021.db2.gz YXCBEVBJTIPHBE-DLBZAZTESA-N 2 0 311.514 2.639 20 0 DFADRP C[C@H]1CCCC[N@@H+]1CCCCNC(=O)CC[C@@H]1CCC[NH2+]C1 ZINC000621642338 399007886 /nfs/dbraw/zinc/00/78/86/399007886.db2.gz KVPNYCGMSXUXOS-IRXDYDNUSA-N 2 0 309.498 2.537 20 0 DFADRP CC(C)[C@@H]1CCCC[C@@H]1[NH2+]CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000475154701 299344729 /nfs/dbraw/zinc/34/47/29/299344729.db2.gz FEIGDCRUICGJPD-ROUUACIJSA-N 2 0 321.509 2.534 20 0 DFADRP CC[C@H]([NH2+]CC(=O)NC[C@H](c1ccccc1)[NH+](C)C)C(C)(C)C ZINC000475127100 299344213 /nfs/dbraw/zinc/34/42/13/299344213.db2.gz AURBVZXAIGUEND-SJORKVTESA-N 2 0 319.493 2.820 20 0 DFADRP CC[C@H]([NH2+]CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C)C(C)(C)C ZINC000475127098 299344246 /nfs/dbraw/zinc/34/42/46/299344246.db2.gz AURBVZXAIGUEND-IRXDYDNUSA-N 2 0 319.493 2.820 20 0 DFADRP CC1(C)C[C@@H]([NH2+]Cc2ccc(OCC[NH+]3CCCC3)cc2)CO1 ZINC000417942324 296064987 /nfs/dbraw/zinc/06/49/87/296064987.db2.gz SXNMGFNYNBXJKV-QGZVFWFLSA-N 2 0 318.461 2.818 20 0 DFADRP CC[N@H+](CCCNC(=O)CC[C@@H]1CCC[NH2+]C1)C1CCCCC1 ZINC000621666248 399016235 /nfs/dbraw/zinc/01/62/35/399016235.db2.gz NGJVKUDDMODUAB-KRWDZBQOSA-N 2 0 323.525 2.927 20 0 DFADRP CCCC[N@@H+]1CCCC[C@H]1CNC(=O)[C@H](C)[NH2+]C(C)(C)CC ZINC000475925072 299351008 /nfs/dbraw/zinc/35/10/08/299351008.db2.gz FHMYSUUZLQNAAP-HOTGVXAUSA-N 2 0 311.514 2.924 20 0 DFADRP CCCC[C@H](C[NH3+])NC(=O)NC[C@H]1CCC[N@@H+]1C1CCCCC1 ZINC000418143978 296080657 /nfs/dbraw/zinc/08/06/57/296080657.db2.gz RQZWHSGIRBBWIY-NVXWUHKLSA-N 2 0 324.513 2.600 20 0 DFADRP CCCC[C@H](C[NH3+])NC(=O)NC[C@@H]1CCC[N@@H+]1C1CCCCC1 ZINC000418143980 296080752 /nfs/dbraw/zinc/08/07/52/296080752.db2.gz RQZWHSGIRBBWIY-WBVHZDCISA-N 2 0 324.513 2.600 20 0 DFADRP CC[C@@H](C)[NH2+][C@@H](CNC(=O)NC(C)(C)CCC[NH3+])c1ccco1 ZINC000418160641 296080862 /nfs/dbraw/zinc/08/08/62/296080862.db2.gz DKVFYMGJPGUOIR-KGLIPLIRSA-N 2 0 324.469 2.526 20 0 DFADRP CCOc1cncc(CN2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000621719278 399046016 /nfs/dbraw/zinc/04/60/16/399046016.db2.gz HPXVSYPPGBRDPP-LPHOPBHVSA-N 2 0 315.461 2.929 20 0 DFADRP CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC000606364623 399059890 /nfs/dbraw/zinc/05/98/90/399059890.db2.gz DBYAILRTFUWCOA-SFHVURJKSA-N 2 0 317.477 2.581 20 0 DFADRP CO[C@H](C)[C@H](C)[NH2+]Cc1ccc(C[NH+]2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000268781117 283937417 /nfs/dbraw/zinc/93/74/17/283937417.db2.gz XTBXPDJEDKKPSR-WCXIOVBPSA-N 2 0 320.477 2.809 20 0 DFADRP C[C@H]([NH3+])c1ccc(CNC(=O)NC(C)(C)CCC[NH+](C)C)cc1 ZINC000418467335 296098377 /nfs/dbraw/zinc/09/83/77/296098377.db2.gz SCVLYDJXLNOWCG-AWEZNQCLSA-N 2 0 320.481 2.626 20 0 DFADRP O=C(NCCCCC[NH+]1CCCCC1)[C@H](C1CC1)[NH+]1CCCC1 ZINC000126999469 283951413 /nfs/dbraw/zinc/95/14/13/283951413.db2.gz LSJSYLDFNXWBKZ-SFHVURJKSA-N 2 0 321.509 2.633 20 0 DFADRP CC[NH+](CC)CCC[N@@H+]1CC[C@H](C(=O)OC)[C@H]2CCCC[C@H]21 ZINC000595735070 399061880 /nfs/dbraw/zinc/06/18/80/399061880.db2.gz VKANTFAMCQMWEM-IXDOHACOSA-N 2 0 310.482 2.772 20 0 DFADRP CCCN(CCC[NH+](C)C)C(=O)NCc1ccc([C@H](C)[NH3+])cc1 ZINC000418490517 296099914 /nfs/dbraw/zinc/09/99/14/296099914.db2.gz NANCKDQUBGYGJK-HNNXBMFYSA-N 2 0 320.481 2.580 20 0 DFADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC1CC[NH+](C2CC2)CC1 ZINC000271774833 209203880 /nfs/dbraw/zinc/20/38/80/209203880.db2.gz COMDGJBEGOKPLN-OXQOHEQNSA-N 2 0 313.489 2.723 20 0 DFADRP C[C@@H]([NH2+]CCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1)C1CCSCC1 ZINC000253232617 296121824 /nfs/dbraw/zinc/12/18/24/296121824.db2.gz FYKVXWGFWMCCDS-OWCLPIDISA-N 2 0 314.539 2.997 20 0 DFADRP CC(C)[NH+]1CCC(N(C)C(=O)[C@H](C)[C@@H]([NH3+])c2ccccc2)CC1 ZINC000261725359 203102930 /nfs/dbraw/zinc/10/29/30/203102930.db2.gz MJDGFTRENPEDNT-CRAIPNDOSA-N 2 0 317.477 2.654 20 0 DFADRP CC[NH+](CC)Cc1ccccc1CNC(=O)CC[C@H]1CC[NH2+]C1 ZINC000261846296 203132724 /nfs/dbraw/zinc/13/27/24/203132724.db2.gz ZGGQHROWKKXXPZ-INIZCTEOSA-N 2 0 317.477 2.534 20 0 DFADRP C[C@@H]1CCC[C@](CNC(=O)C[C@H]([NH3+])c2ccccc2)([NH+](C)C)C1 ZINC000261844424 203133173 /nfs/dbraw/zinc/13/31/73/203133173.db2.gz ZDKZKBXNQRVTDX-AYBZRNKSSA-N 2 0 317.477 2.703 20 0 DFADRP CC[NH+]1CCN([C@@H]2CC[N@H+](Cc3ccc([C@@H]4C[C@@H]4C)o3)C2)CC1 ZINC000093133062 193205024 /nfs/dbraw/zinc/20/50/24/193205024.db2.gz DBUIAVPDDYKEAB-LZLYRXPVSA-N 2 0 317.477 2.615 20 0 DFADRP CC[N@H+](C)[C@@H](C(=O)N1CCC(CC[NH2+]C)CC1)c1ccccc1 ZINC000262057991 203185831 /nfs/dbraw/zinc/18/58/31/203185831.db2.gz NMJSNFKLETZFKH-GOSISDBHSA-N 2 0 317.477 2.528 20 0 DFADRP C[NH+](C)Cc1cccc(NC(=O)C2C[C@H]3CCC[C@@H](C2)C3[NH3+])c1 ZINC000262314470 203258788 /nfs/dbraw/zinc/25/87/88/203258788.db2.gz DHIASBQDNCFEAR-SFYZZRBRSA-N 2 0 315.461 2.840 20 0 DFADRP Cc1cccnc1C[NH+]1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000093170962 193210876 /nfs/dbraw/zinc/21/08/76/193210876.db2.gz LPZGCICKHSUFIN-CALCHBBNSA-N 2 0 317.477 2.711 20 0 DFADRP CC[NH+](CC)CCC[C@@H](C)NC(=O)[C@@H]([NH3+])c1ccc(C)cc1 ZINC000262524133 203319346 /nfs/dbraw/zinc/31/93/46/203319346.db2.gz OQSGRZLZDZVSAF-WBVHZDCISA-N 2 0 305.466 2.622 20 0 DFADRP CCC[C@](C)([NH3+])C(=O)Nc1ccc2ccn(CC[NH+](C)C)c2c1 ZINC000262656893 203366907 /nfs/dbraw/zinc/36/69/07/203366907.db2.gz CUSAFLDACXQPRK-SFHVURJKSA-N 2 0 316.449 2.659 20 0 DFADRP CCC[C@](C)([NH3+])C(=O)N(CC)Cc1ccc(C[NH+](C)C)cc1 ZINC000262700304 203385390 /nfs/dbraw/zinc/38/53/90/203385390.db2.gz HQIVPZZTRHDOMB-SFHVURJKSA-N 2 0 305.466 2.614 20 0 DFADRP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccc(NC(C)=O)cc2)[C@H](C)C1 ZINC000093639012 193279195 /nfs/dbraw/zinc/27/91/95/193279195.db2.gz XBWVTBGBQMJKTP-RDTXWAMCSA-N 2 0 303.450 2.807 20 0 DFADRP CN(C)c1ncc(C[NH2+][C@@H]2CCc3sc(Cl)cc32)n1C ZINC000419703271 296147384 /nfs/dbraw/zinc/14/73/84/296147384.db2.gz DCEPJCRUXAUFLS-LLVKDONJSA-N 2 0 310.854 2.978 20 0 DFADRP C[C@H]1C[NH+](CCC2CC[NH+](Cc3ccco3)CC2)C[C@H](C)O1 ZINC000093844167 193318005 /nfs/dbraw/zinc/31/80/05/193318005.db2.gz YNJQTGVCCWUYDE-HOTGVXAUSA-N 2 0 306.450 2.991 20 0 DFADRP C[C@H]([NH2+]CCCC[N@@H+]1CCC[C@@H]1CO)c1ccccc1N(C)C ZINC000093944996 193331409 /nfs/dbraw/zinc/33/14/09/193331409.db2.gz MUNJWBAFYNROGS-DLBZAZTESA-N 2 0 319.493 2.640 20 0 DFADRP C[NH+](C)CCC[C@@H]1C[N@H+](CCSCc2ccccc2)CCO1 ZINC000595905495 399129228 /nfs/dbraw/zinc/12/92/28/399129228.db2.gz DENAWJBTYYYMRO-GOSISDBHSA-N 2 0 322.518 2.962 20 0 DFADRP CC(C)CN(CC[NH+](C)C)C(=O)[C@@H](C)[N@H+](C)Cc1ccccc1 ZINC000340525394 284188916 /nfs/dbraw/zinc/18/89/16/284188916.db2.gz IYHNXOKQOJZLJJ-QGZVFWFLSA-N 2 0 319.493 2.553 20 0 DFADRP C[C@H](Cn1ccnc1)[NH2+][C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000274913338 212027759 /nfs/dbraw/zinc/02/77/59/212027759.db2.gz NPRIQUZRTWLXAQ-ZIFCJYIRSA-N 2 0 312.461 2.772 20 0 DFADRP C[N@@H+]1CCN(CC[NH2+][C@H](c2ccccc2)C2CC2)CC1(C)C ZINC000282455896 217008147 /nfs/dbraw/zinc/00/81/47/217008147.db2.gz VHQOEPJIXGAGIE-GOSISDBHSA-N 2 0 301.478 2.753 20 0 DFADRP CCC[C@H]1C[NH2+]CCN1c1cc[nH+]c2cc(F)c(OC)cc21 ZINC000420230555 296164270 /nfs/dbraw/zinc/16/42/70/296164270.db2.gz IWEGXQRXBYLGOY-LBPRGKRZSA-N 2 0 303.381 2.961 20 0 DFADRP Cc1cc(N2C[C@H]3C[NH2+]C[C@H]3C2)c2cc(OC(F)F)ccc2[nH+]1 ZINC000420235629 296164622 /nfs/dbraw/zinc/16/46/22/296164622.db2.gz DEQDMBCFGWGAAK-TXEJJXNPSA-N 2 0 319.355 2.800 20 0 DFADRP CCOc1cc2[nH+]ccc(N[C@@H](C)[C@H](C)[NH3+])c2cc1OCC ZINC000420274140 296168223 /nfs/dbraw/zinc/16/82/23/296168223.db2.gz YERSRILXEJKMTM-RYUDHWBXSA-N 2 0 303.406 2.602 20 0 DFADRP CCC[N@H+](CC[C@H]1CC[NH2+]C1)[C@@H](C)C(=O)Nc1ccccc1 ZINC000420293838 296170584 /nfs/dbraw/zinc/17/05/84/296170584.db2.gz ANYBLMDCZVIABX-JKSUJKDBSA-N 2 0 303.450 2.725 20 0 DFADRP COc1ccc([C@@H](C[NH3+])C[N@@H+]2CCS[C@H](C(C)C)C2)cc1 ZINC000420296421 296171073 /nfs/dbraw/zinc/17/10/73/296171073.db2.gz DMVZGNGGBFWMGO-RDJZCZTQSA-N 2 0 308.491 2.811 20 0 DFADRP Clc1ccc(CN2CCC[N@H+](CC[C@@H]3CC[NH2+]C3)CC2)cc1 ZINC000420296053 296171093 /nfs/dbraw/zinc/17/10/93/296171093.db2.gz CYCMYLHNUZKLMH-INIZCTEOSA-N 2 0 321.896 2.847 20 0 DFADRP FC(F)(F)c1cc([C@H]2CCC[N@H+](CC[C@@H]3CC[NH2+]C3)C2)[nH]n1 ZINC000420302110 296171613 /nfs/dbraw/zinc/17/16/13/296171613.db2.gz MDDHSAQJNYOOKK-RYUDHWBXSA-N 2 0 316.371 2.608 20 0 DFADRP Cc1cccc([C@H]2CCCC[N@@H+]2CCN2CC[NH2+]CC2)c1C ZINC000420300826 296171687 /nfs/dbraw/zinc/17/16/87/296171687.db2.gz KRZRGGHOMMHMIN-LJQANCHMSA-N 2 0 301.478 2.736 20 0 DFADRP CC(C)[C@](C)(C[NH3+])[NH2+]CCOc1cccc(Br)c1 ZINC000420298666 296171403 /nfs/dbraw/zinc/17/14/03/296171403.db2.gz FNVQBGDEUYODCR-AWEZNQCLSA-N 2 0 315.255 2.791 20 0 DFADRP Clc1ccccc1[C@@H]1C[NH2+]CCN1CC[C@H]1CCC[NH2+]C1 ZINC000420303196 296172093 /nfs/dbraw/zinc/17/20/93/296172093.db2.gz CGPUQTWEFOCEKB-PBHICJAKSA-N 2 0 307.869 2.676 20 0 DFADRP COC(=O)c1cc2cc(C[N@H+](C)[C@@H]3CCC[NH2+]CC3)ccc2o1 ZINC000420304283 296172152 /nfs/dbraw/zinc/17/21/52/296172152.db2.gz DXCDLKFBKVZKBR-OAHLLOKOSA-N 2 0 316.401 2.793 20 0 DFADRP Brc1cccc2c1CC[N@H+](CC[C@H]1CC[NH2+]C1)C2 ZINC000420303459 296172184 /nfs/dbraw/zinc/17/21/84/296172184.db2.gz NLKHDGOGHRSRTG-GFCCVEGCSA-N 2 0 309.251 2.807 20 0 DFADRP COC(=O)c1cc2cc(C[NH+]3CCC([C@@H](C)[NH3+])CC3)ccc2o1 ZINC000420303844 296172217 /nfs/dbraw/zinc/17/22/17/296172217.db2.gz XNBBYHYKOREQCA-GFCCVEGCSA-N 2 0 316.401 2.779 20 0 DFADRP c1ccc(CCCO[C@@H]2CC[N@H+](CC[C@@H]3CC[NH2+]C3)C2)cc1 ZINC000420309032 296172927 /nfs/dbraw/zinc/17/29/27/296172927.db2.gz STXNYZSYOOHPIM-RBUKOAKNSA-N 2 0 302.462 2.710 20 0 DFADRP CCC[N@H+](CC[C@H]1CCC[NH2+]C1)C[C@H]1COc2ccccc2O1 ZINC000420304219 296172279 /nfs/dbraw/zinc/17/22/79/296172279.db2.gz LGMVKKCVIBTQKE-SJORKVTESA-N 2 0 318.461 2.928 20 0 DFADRP CCCN(Cc1cc(C(=O)OC)ccc1F)C1CC[NH2+]CC1 ZINC000420312034 296173219 /nfs/dbraw/zinc/17/32/19/296173219.db2.gz HPWOXFMLBLZOOF-UHFFFAOYSA-N 2 0 308.397 2.576 20 0 DFADRP C(CN1CCC[N@H+](CC2CCCCC2)CC1)[C@@H]1CCC[NH2+]C1 ZINC000420311110 296173361 /nfs/dbraw/zinc/17/33/61/296173361.db2.gz GUNKVUNMSFREOM-SFHVURJKSA-N 2 0 307.526 2.964 20 0 DFADRP [NH3+]CC[C@H]1CCC[N@H+](Cc2ccn(-c3c(F)cccc3F)n2)C1 ZINC000420312669 296173771 /nfs/dbraw/zinc/17/37/71/296173771.db2.gz ORNRKOIENBZWPL-CYBMUJFWSA-N 2 0 320.387 2.711 20 0 DFADRP C[C@@H]1C[C@H](c2ccccc2)C[N@@H+]1C[C@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC000420315122 296173892 /nfs/dbraw/zinc/17/38/92/296173892.db2.gz ZRLRVCVQJLECSW-SEVLPDGMSA-N 2 0 324.468 2.795 20 0 DFADRP CCN(C[C@H]1CC[N@H+](CC[C@@H]2CCC[NH2+]C2)C1)CC(F)(F)F ZINC000420317864 296173987 /nfs/dbraw/zinc/17/39/87/296173987.db2.gz NHCJCKZSALFSIZ-LSDHHAIUSA-N 2 0 321.431 2.582 20 0 DFADRP c1cc(C[N@@H+](CC[C@@H]2CC[NH2+]C2)[C@H]2CC23CC[NH2+]CC3)cs1 ZINC000420309520 296173008 /nfs/dbraw/zinc/17/30/08/296173008.db2.gz LNNUSNOQNHAVGX-RDJZCZTQSA-N 3 0 319.518 2.692 20 0 DFADRP COc1ccc([C@H](C[NH3+])C[N@H+](C)Cc2cccc(OC)c2)cc1 ZINC000420319484 296174354 /nfs/dbraw/zinc/17/43/54/296174354.db2.gz PPOYZAVQWTZVSY-QGZVFWFLSA-N 2 0 314.429 2.878 20 0 DFADRP c1csc(C[NH+](CCN2CC[NH2+]CC2)Cc2cccs2)c1 ZINC000420319449 296174408 /nfs/dbraw/zinc/17/44/08/296174408.db2.gz POEVTGBFFYMEMN-UHFFFAOYSA-N 2 0 321.515 2.717 20 0 DFADRP CCOc1cc2c(cc1OCC)C[N@H+](CC[C@H]1CC[NH2+]C1)CC2 ZINC000420320007 296174635 /nfs/dbraw/zinc/17/46/35/296174635.db2.gz PZHJAYVXFKRPAP-OAHLLOKOSA-N 2 0 318.461 2.842 20 0 DFADRP C[N@@H+](Cc1ccccc1)CC1CC[NH+](CC[C@H]2CC[NH2+]C2)CC1 ZINC000420321786 296174987 /nfs/dbraw/zinc/17/49/87/296174987.db2.gz RRVWRQHMUUNIAV-GOSISDBHSA-N 3 0 315.505 2.830 20 0 DFADRP [NH3+][C@@H]1CCO[C@H]1C1CC[NH+](CCSc2ccccc2)CC1 ZINC000420325223 296175155 /nfs/dbraw/zinc/17/51/55/296175155.db2.gz CTBKRDBKPLJJBK-SJORKVTESA-N 2 0 306.475 2.607 20 0 DFADRP CSc1ccccc1NC(=O)C[N@H+](C)CC[C@@H]1CCC[NH2+]C1 ZINC000420325930 296175534 /nfs/dbraw/zinc/17/55/34/296175534.db2.gz WXIMWMSPGURGGA-AWEZNQCLSA-N 2 0 321.490 2.669 20 0 DFADRP O=C(C[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1)Nc1cccc2ccccc21 ZINC000420331687 296176362 /nfs/dbraw/zinc/17/63/62/296176362.db2.gz IUUCKKKWBNHCTA-CALCHBBNSA-N 2 0 323.440 2.710 20 0 DFADRP Cc1cccc(NC(=O)[C@H](C)[N@@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)c1 ZINC000420334288 296176666 /nfs/dbraw/zinc/17/66/66/296176666.db2.gz GCSXYCNZMHAEOP-BBWFWOEESA-N 2 0 315.461 2.644 20 0 DFADRP C[C@@H](c1nc(-c2cccs2)no1)[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000420327072 296175775 /nfs/dbraw/zinc/17/57/75/296175775.db2.gz CTVVITYQQSMKEM-RWMBFGLXSA-N 2 0 318.446 2.791 20 0 DFADRP C[C@@H](c1ccc(-n2cncn2)cc1)[N@H+](C)CC[C@@H]1CCC[NH2+]C1 ZINC000420326847 296175796 /nfs/dbraw/zinc/17/57/96/296175796.db2.gz XXJIOFYMEUVELM-HOTGVXAUSA-N 2 0 313.449 2.650 20 0 DFADRP O=C(C[NH+]1CCC([C@H]2CCC[NH2+]2)CC1)NCCC1CCCCC1 ZINC000420329922 296176059 /nfs/dbraw/zinc/17/60/59/296176059.db2.gz AJRDDBXMIDKBSD-GOSISDBHSA-N 2 0 321.509 2.537 20 0 DFADRP CC(C)CCC[C@H](C)NC(=O)C[N@@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000420335894 296177172 /nfs/dbraw/zinc/17/71/72/296177172.db2.gz IANLZZKOLVBYLM-BZSNNMDCSA-N 2 0 323.525 2.639 20 0 DFADRP Cc1ccc(NC(=O)C[N@@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)cc1C ZINC000420339552 296177413 /nfs/dbraw/zinc/17/74/13/296177413.db2.gz LZTGAHCPSZEALV-IRXDYDNUSA-N 2 0 315.461 2.563 20 0 DFADRP Cc1ccc(C)c(NC(=O)C[N@@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)c1 ZINC000420339037 296177495 /nfs/dbraw/zinc/17/74/95/296177495.db2.gz LOJRAVKFPJEMQI-IAGOWNOFSA-N 2 0 315.461 2.563 20 0 DFADRP C[C@@H](C(=O)Nc1ccccc1Cl)[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000420335581 296176796 /nfs/dbraw/zinc/17/67/96/296176796.db2.gz LRDZOETXFZBPEV-MELADBBJSA-N 2 0 321.852 2.598 20 0 DFADRP Cc1cccc(C)c1NC(=O)C[N@@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000420345389 296178021 /nfs/dbraw/zinc/17/80/21/296178021.db2.gz WCFIHRKKEYPJPS-DLBZAZTESA-N 2 0 315.461 2.563 20 0 DFADRP Cc1ccc(NC(=O)[C@@H]2C[C@@H]3CCCC[N@@H+]3C2)c(C[NH+](C)C)c1 ZINC000080669204 399168204 /nfs/dbraw/zinc/16/82/04/399168204.db2.gz LALITOIJDCLSEN-SJORKVTESA-N 2 0 315.461 2.870 20 0 DFADRP c1coc(-c2cc(C[N@@H+]3CCC[C@@H]([C@@H]4CC[NH2+]C4)C3)no2)c1 ZINC000420345995 296178194 /nfs/dbraw/zinc/17/81/94/296178194.db2.gz WZQAPXOESOHDBQ-ZIAGYGMSSA-N 2 0 301.390 2.756 20 0 DFADRP COc1ccc([C@@H](C[NH3+])C[N@H+](C)C[C@H](C)c2nccs2)cc1 ZINC000420354746 296179235 /nfs/dbraw/zinc/17/92/35/296179235.db2.gz DFDRADMGTYDFBB-ZFWWWQNUSA-N 2 0 319.474 2.930 20 0 DFADRP [NH3+][C@@H](Cc1ccccc1)[C@@H](O)C[N@@H+]1CCCC2(CCCC2)C1 ZINC000420365403 296180619 /nfs/dbraw/zinc/18/06/19/296180619.db2.gz SBLMNWKCNYNUQN-ROUUACIJSA-N 2 0 302.462 2.574 20 0 DFADRP c1nc2ccccc2n1C[C@H]1CCC[N@H+]1CC[C@@H]1CCC[NH2+]C1 ZINC000420365589 296180671 /nfs/dbraw/zinc/18/06/71/296180671.db2.gz FAFRZOSEKMDHGE-DLBZAZTESA-N 2 0 312.461 2.890 20 0 DFADRP c1nc([C@H]2CCC[N@@H+](CC[C@H]3CCC[NH2+]C3)C2)n2c1CCCC2 ZINC000420362120 296180220 /nfs/dbraw/zinc/18/02/20/296180220.db2.gz AHRHMWXQYIPLPB-SJORKVTESA-N 2 0 316.493 2.789 20 0 DFADRP CC(C)[C@@H]([NH2+]C[C@H](O)[C@@H]([NH3+])Cc1ccccc1)c1ccccc1 ZINC000420363045 296180360 /nfs/dbraw/zinc/18/03/60/296180360.db2.gz BBDVOVZVXKOWKP-SLFFLAALSA-N 2 0 312.457 2.904 20 0 DFADRP FC(F)(F)c1ccn([C@@H]2CCC[N@H+](CC[C@H]3CC[NH2+]C3)C2)n1 ZINC000420374492 296182156 /nfs/dbraw/zinc/18/21/56/296182156.db2.gz NTSQYBYYYFFJBF-CHWSQXEVSA-N 2 0 316.371 2.538 20 0 DFADRP C[C@H]1CC[N@H+](CCCc2nc(-c3ccccc3)no2)C[C@@H]1C[NH3+] ZINC000420385235 296184309 /nfs/dbraw/zinc/18/43/09/296184309.db2.gz SPSRTVKPQJXXFF-HOCLYGCPSA-N 2 0 314.433 2.586 20 0 DFADRP c1cc(CC[N@@H+]2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)cc2c1OCC2 ZINC000420390172 296184852 /nfs/dbraw/zinc/18/48/52/296184852.db2.gz HYQIYNQMLALTQN-QZTJIDSGSA-N 2 0 300.446 2.628 20 0 DFADRP Cc1ccc(CC[NH+]2CCC([C@@H]3OCCC[C@@H]3[NH3+])CC2)cc1 ZINC000420387448 296184453 /nfs/dbraw/zinc/18/44/53/296184453.db2.gz VVKFKGOBIRVFAS-OALUTQOASA-N 2 0 302.462 2.756 20 0 DFADRP C[C@@H]1CC[N@H+](CCC(=O)Nc2ccc(Cl)cc2)C[C@@H]1C[NH3+] ZINC000420395232 296185615 /nfs/dbraw/zinc/18/56/15/296185615.db2.gz DEUWYVKTZMLAOZ-OLZOCXBDSA-N 2 0 309.841 2.585 20 0 DFADRP COc1ccc([C@H](C[NH3+])C[NH2+][C@H]2CCCO[C@H]2CC(C)C)cc1 ZINC000420404623 296186909 /nfs/dbraw/zinc/18/69/09/296186909.db2.gz MKPOGJDPGKWXJH-NEWSRXKRSA-N 2 0 320.477 2.921 20 0 DFADRP C[C@@H](Cc1cccc(Cl)c1)[NH2+]C1CCN(CC[NH+](C)C)CC1 ZINC000282734906 217211783 /nfs/dbraw/zinc/21/17/83/217211783.db2.gz SVFIEBJIDHONDA-HNNXBMFYSA-N 2 0 323.912 2.887 20 0 DFADRP CCOc1ccccc1OCC[N@@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000420412579 296187656 /nfs/dbraw/zinc/18/76/56/296187656.db2.gz ZJORCTYQGCKZOO-DLBZAZTESA-N 2 0 318.461 2.928 20 0 DFADRP CC(C)N1CC[C@@H]([NH2+]CCC[NH3+])[C@@H]1c1ccc(Cl)c(F)c1 ZINC000420412763 296187847 /nfs/dbraw/zinc/18/78/47/296187847.db2.gz SQKVCJJUDQWEEX-CVEARBPZSA-N 2 0 313.848 2.941 20 0 DFADRP CC(C)([NH3+])c1noc(C[NH2+][C@H]2CCC[C@@H]2Cc2ccccc2)n1 ZINC000420422271 296188277 /nfs/dbraw/zinc/18/82/77/296188277.db2.gz ZDKMQNZKVVQRIQ-CABCVRRESA-N 2 0 314.433 2.764 20 0 DFADRP C[C@H](Cc1cccc(Cl)c1)[NH2+]CCN1CC[N@H+](C)C(C)(C)C1 ZINC000282788105 217251676 /nfs/dbraw/zinc/25/16/76/217251676.db2.gz YIOPOVQBXNNQSB-OAHLLOKOSA-N 2 0 323.912 2.887 20 0 DFADRP C[N@@H+]1CCCC[C@H]1C(=O)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000600996886 399198658 /nfs/dbraw/zinc/19/86/58/399198658.db2.gz LZQPHEFACQVGIN-ROUUACIJSA-N 2 0 321.509 2.585 20 0 DFADRP CC(C)[N@H+](C)CCCNC(=O)c1cccc(C[NH+]2CCCC2)c1 ZINC000063782492 399207795 /nfs/dbraw/zinc/20/77/95/399207795.db2.gz OMXDFCVZIQEWHP-UHFFFAOYSA-N 2 0 317.477 2.743 20 0 DFADRP CC[C@@H]1C[N@H+](C)CCCN1C(=O)[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC000614331280 399210006 /nfs/dbraw/zinc/21/00/06/399210006.db2.gz PJXYWLCHEVHXIG-IAGOWNOFSA-N 2 0 321.509 2.584 20 0 DFADRP C[C@H]([NH2+]C(C)(C)CNC(=O)[C@@H]1CCC[NH2+][C@H]1C)c1ccccc1 ZINC000342732716 284396125 /nfs/dbraw/zinc/39/61/25/284396125.db2.gz LCNIASWXWUMKOH-YQQAZPJKSA-N 2 0 317.477 2.620 20 0 DFADRP C[C@H]1C[N@H+](Cc2cccc(CN3CCOCC3)c2)CC(C)(C)O1 ZINC000420909528 296210770 /nfs/dbraw/zinc/21/07/70/296210770.db2.gz YZQZMGKXWPTKDY-INIZCTEOSA-N 2 0 318.461 2.518 20 0 DFADRP COc1cccc(-c2n[nH]cc2C[NH2+][C@H]2CC[N@H+](C)[C@@H](C)C2)c1 ZINC000608061168 399230016 /nfs/dbraw/zinc/23/00/16/399230016.db2.gz BYVOWYCAOPGVIC-BBRMVZONSA-N 2 0 314.433 2.658 20 0 DFADRP COc1cccc(-c2n[nH]cc2C[NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)c1 ZINC000608061171 399230065 /nfs/dbraw/zinc/23/00/65/399230065.db2.gz BYVOWYCAOPGVIC-XJKSGUPXSA-N 2 0 314.433 2.658 20 0 DFADRP CC1=C[C@H](C)C[N@H+](Cc2ccc(CN3CCOCC3)cc2)C1 ZINC000420966501 296218783 /nfs/dbraw/zinc/21/87/83/296218783.db2.gz QYQOMHSFEYPVSQ-INIZCTEOSA-N 2 0 300.446 2.917 20 0 DFADRP C[C@@H](c1ccc(OC(F)(F)F)cc1)[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000109119947 296229747 /nfs/dbraw/zinc/22/97/47/296229747.db2.gz RJMLMTQIKJSAPW-WCFLWFBJSA-N 2 0 300.324 2.797 20 0 DFADRP C[C@H]([NH2+]Cc1ccncc1OCC[NH+](C)C)C1CCSCC1 ZINC000343934101 284542539 /nfs/dbraw/zinc/54/25/39/284542539.db2.gz NQIDFMGEMPYGOI-AWEZNQCLSA-N 2 0 323.506 2.643 20 0 DFADRP C[C@@H](CCC(F)(F)F)[NH2+]Cc1ccncc1OCC[NH+](C)C ZINC000343974322 284547327 /nfs/dbraw/zinc/54/73/27/284547327.db2.gz GBCKAQOYAWONPU-LBPRGKRZSA-N 2 0 319.371 2.843 20 0 DFADRP CC[NH+]1CCN([C@H](C)C[NH2+]Cc2cccc(C3CC3)c2)CC1 ZINC000421322063 296244441 /nfs/dbraw/zinc/24/44/41/296244441.db2.gz DDJXVJJXPMTFRZ-MRXNPFEDSA-N 2 0 301.478 2.680 20 0 DFADRP CO[C@]1(C)C[C@H]([NH2+]Cc2ccc(OCC[NH+](C)C)cc2)C1(C)C ZINC000608579147 399276317 /nfs/dbraw/zinc/27/63/17/399276317.db2.gz CCWSLEARRKMBNJ-PKOBYXMFSA-N 2 0 320.477 2.920 20 0 DFADRP CC(C)[NH+]1CCN([C@@H]2CC[N@@H+]([C@H]3CCc4ccccc43)C2)CC1 ZINC000614962607 399286033 /nfs/dbraw/zinc/28/60/33/399286033.db2.gz LQOGOWROLSRVHM-QUCCMNQESA-N 2 0 313.489 2.774 20 0 DFADRP CC[NH+](CC)CCOC1CC[NH+](CC2(COC)CCC2)CC1 ZINC000361309149 284635873 /nfs/dbraw/zinc/63/58/73/284635873.db2.gz NOZMTVOMPNDINE-UHFFFAOYSA-N 2 0 312.498 2.626 20 0 DFADRP CC(C)[C@@H](C[NH2+]Cc1cccc(Cl)c1)N1CC[NH+](C)CC1 ZINC000040435523 183066709 /nfs/dbraw/zinc/06/67/09/183066709.db2.gz HQMIXWNZYDNMGN-QGZVFWFLSA-N 2 0 309.885 2.702 20 0 DFADRP c1ccc(C[NH+]2CCN(CCC[NH+]3CCCCC3)CC2)cc1 ZINC000041514438 183195863 /nfs/dbraw/zinc/19/58/63/183195863.db2.gz AGOHMVRHPQFYOJ-UHFFFAOYSA-N 2 0 301.478 2.680 20 0 DFADRP CC(C)C[C@](C)(C[NH3+])NC(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000623058563 399320807 /nfs/dbraw/zinc/32/08/07/399320807.db2.gz FSISMTKDQYXRHP-QGZVFWFLSA-N 2 0 306.454 2.633 20 0 DFADRP CN(CCC[NH2+][C@H]1CCC[C@@H](c2cccnc2)C1)CC[NH+](C)C ZINC000623088051 399324796 /nfs/dbraw/zinc/32/47/96/399324796.db2.gz UEJPFFNVYZPJGG-MJGOQNOKSA-N 2 0 318.509 2.581 20 0 DFADRP Cc1ccc([C@@H]2CCC[C@H]2[NH2+]CC2(O)CC[NH+](C)CC2)cc1 ZINC000344749452 284680492 /nfs/dbraw/zinc/68/04/92/284680492.db2.gz NYEIFZUSBBXRNM-ZWKOTPCHSA-N 2 0 302.462 2.677 20 0 DFADRP Clc1ccc(N2CC[NH+](CC[C@@H]3CCC[NH2+]C3)CC2)cc1 ZINC000051919405 425883581 /nfs/dbraw/zinc/88/35/81/425883581.db2.gz LKJKGTCRWKXMAS-HNNXBMFYSA-N 2 0 307.869 2.852 20 0 DFADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2cc(C)nc(C)c2)[C@@H](C)C1 ZINC000421879457 296278431 /nfs/dbraw/zinc/27/84/31/296278431.db2.gz NEWDAWXDVLQENE-HNAYVOBHSA-N 2 0 319.493 2.925 20 0 DFADRP C[C@H]([NH2+]CCC1(O)CCC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000284410762 218016724 /nfs/dbraw/zinc/01/67/24/218016724.db2.gz QLDQZMURVOMSOZ-FUHWJXTLSA-N 2 0 302.462 2.792 20 0 DFADRP Cc1cc(CNC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)cc(C)n1 ZINC000421920603 296281768 /nfs/dbraw/zinc/28/17/68/296281768.db2.gz NYOHPZZJIJHJDN-QGZVFWFLSA-N 2 0 315.461 2.969 20 0 DFADRP CC[NH+](CC)[C@@H](C(=O)NC[C@H](C1CC1)[NH+](C)C)c1ccccc1 ZINC000104856606 194047648 /nfs/dbraw/zinc/04/76/48/194047648.db2.gz BLAWEMSUNXLKAY-QZTJIDSGSA-N 2 0 317.477 2.526 20 0 DFADRP CC[NH+](CC)[C@@H](C(=O)NC1CC[NH+](CC)CC1)c1ccccc1 ZINC000104834141 194044721 /nfs/dbraw/zinc/04/47/21/194044721.db2.gz RUFKIOVOXNKGME-GOSISDBHSA-N 2 0 317.477 2.670 20 0 DFADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+]C/C(C)=C/c2ccccc2)CC1 ZINC000105441316 194103874 /nfs/dbraw/zinc/10/38/74/194103874.db2.gz BPTPIFRRTNWHPB-ZSFFSCSXSA-N 2 0 315.505 2.953 20 0 DFADRP C[NH+](C)[C@@H](CN[C@@H]1CC[N@H+](C)C(C)(C)C1)Cc1ccccc1 ZINC000623335822 399365060 /nfs/dbraw/zinc/36/50/60/399365060.db2.gz GLTLEEACZNAIRF-QZTJIDSGSA-N 2 0 303.494 2.622 20 0 DFADRP CN(C)[C@@H](C[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1)c1cccc(F)c1 ZINC000623336031 399365717 /nfs/dbraw/zinc/36/57/17/399365717.db2.gz RGROPLDXIMPBSH-IRXDYDNUSA-N 2 0 307.457 2.891 20 0 DFADRP CCc1cc(N2CC[C@H]3OCC[N@H+](C)[C@@H]3C2)c2ccccc2[nH+]1 ZINC000285031137 218263733 /nfs/dbraw/zinc/26/37/33/218263733.db2.gz NJSCYSDMMWWTOA-RTBURBONSA-N 2 0 311.429 2.707 20 0 DFADRP C[C@H]([NH2+][C@H]1CC[N@H+](C)C(C)(C)C1)c1ccc(NC(N)=O)cc1 ZINC000623418102 399384805 /nfs/dbraw/zinc/38/48/05/399384805.db2.gz BVVSOSFFDHYFPZ-WFASDCNBSA-N 2 0 304.438 2.701 20 0 DFADRP C[N@@H+]1CC[C@H]([NH2+]CCc2nnc(-c3ccccc3)o2)CC1(C)C ZINC000623438400 399389595 /nfs/dbraw/zinc/38/95/95/399389595.db2.gz YYUVGTXPLFATSM-HNNXBMFYSA-N 2 0 314.433 2.742 20 0 DFADRP C[C@@H]1C[C@H](C)[N@H+](Cc2cc(-n3ccnc3)cs2)C[C@@H]1C[NH3+] ZINC000422562484 296312941 /nfs/dbraw/zinc/31/29/41/296312941.db2.gz QLAICCJLMLRNBH-RDBSUJKOSA-N 2 0 304.463 2.739 20 0 DFADRP Cc1cc(C)cc(C[NH+]2CCN(CC[NH+]3CCCC3)CC2)c1 ZINC000053101459 183887016 /nfs/dbraw/zinc/88/70/16/183887016.db2.gz JCRMNWRICFKNBS-UHFFFAOYSA-N 2 0 301.478 2.517 20 0 DFADRP C[C@@H]([NH2+][C@H]1CC[N@H+](C)C(C)(C)C1)c1ccc(-n2ccnn2)cc1 ZINC000623473715 399397385 /nfs/dbraw/zinc/39/73/85/399397385.db2.gz FJKFAHBYOYKFNY-ZBFHGGJFSA-N 2 0 313.449 2.791 20 0 DFADRP Cn1c2ccccc2nc1CC[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000268901180 207068802 /nfs/dbraw/zinc/06/88/02/207068802.db2.gz UNBKSCSTAHHRMH-RDJZCZTQSA-N 2 0 312.461 2.532 20 0 DFADRP CC[C@@H](NC1CC[NH+](Cc2ccncc2)CC1)[C@@H]1CCCC[NH2+]1 ZINC000422687310 296317964 /nfs/dbraw/zinc/31/79/64/296317964.db2.gz BLSUVIORONYOGH-MOPGFXCFSA-N 2 0 316.493 2.556 20 0 DFADRP CC[NH+](CC)Cc1cccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC000422696787 296318209 /nfs/dbraw/zinc/31/82/09/296318209.db2.gz SLENNMDPQOSSPJ-DFNIBXOVSA-N 3 0 301.478 2.901 20 0 DFADRP COc1cccc2c1CC[C@H]2[NH2+]CCCC[N@@H+]1CCC[C@H]1CO ZINC000268925741 207091966 /nfs/dbraw/zinc/09/19/66/207091966.db2.gz PTWLLOLPVNDUOR-MAUKXSAKSA-N 2 0 318.461 2.509 20 0 DFADRP CC(C)(C[NH2+][C@H]1CCCC[C@H]1C[NH3+])N1CCc2ccccc2C1 ZINC000422703481 296318569 /nfs/dbraw/zinc/31/85/69/296318569.db2.gz NFDTVEJNPYFVRN-HKUYNNGSSA-N 2 0 315.505 2.930 20 0 DFADRP C[C@H](C[C@H](C)[NH3+])[NH2+]Cc1cccc(COC2CCOCC2)c1 ZINC000422703254 296318597 /nfs/dbraw/zinc/31/85/97/296318597.db2.gz HHBCCKIAHAUTJA-LSDHHAIUSA-N 2 0 306.450 2.598 20 0 DFADRP c1ccc(NCCCC[NH2+][C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)nc1 ZINC000422705592 296318898 /nfs/dbraw/zinc/31/88/98/296318898.db2.gz SDHNVYGPZITYDY-BRWVUGGUSA-N 2 0 302.466 2.784 20 0 DFADRP CCOC(=O)C1([C@H](C)[NH2+]C2[C@@H](C)CCC[C@@H]2C)CC[NH2+]CC1 ZINC000422706383 296319559 /nfs/dbraw/zinc/31/95/59/296319559.db2.gz UHTAVLAQJADSBS-KKUMJFAQSA-N 2 0 310.482 2.722 20 0 DFADRP C[C@H]([NH3+])[C@H]1COCC[C@H]1[NH2+]CCc1cc(Cl)cc(Cl)c1 ZINC000422707739 296319253 /nfs/dbraw/zinc/31/92/53/296319253.db2.gz AQLZXYOJRUZQKC-COLVAYQJSA-N 2 0 317.260 2.878 20 0 DFADRP CC(C)(C[NH2+]C1CCC([NH3+])CC1)N1CCc2ccccc2C1 ZINC000422706414 296319277 /nfs/dbraw/zinc/31/92/77/296319277.db2.gz UIVJWMUKWXURSK-UHFFFAOYSA-N 2 0 301.478 2.683 20 0 DFADRP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]Cc1ccc(NC(=O)c2ccco2)cc1 ZINC000422707556 296319471 /nfs/dbraw/zinc/31/94/71/296319471.db2.gz ALEDHQYAXAQQIZ-HOCLYGCPSA-N 2 0 313.401 2.749 20 0 DFADRP C[C@@H]([NH2+]CCCC[N@@H+]1CCC[C@@H]1CO)c1ccc2c(c1)COC2 ZINC000268934976 207100281 /nfs/dbraw/zinc/10/02/81/207100281.db2.gz RLLNALSZONDICC-DNVCBOLYSA-N 2 0 318.461 2.604 20 0 DFADRP C[C@@H]([NH2+]Cc1ccc(OCc2ccccn2)cc1)[C@@H]1CC[NH2+]C1 ZINC000422711320 296320231 /nfs/dbraw/zinc/32/02/31/296320231.db2.gz FTSZPJKFNTYOBR-NVXWUHKLSA-N 2 0 311.429 2.748 20 0 DFADRP C[C@H]([NH2+]Cc1ccccc1C[NH+]1CCCCCC1)C1C[NH2+]C1 ZINC000422711594 296320269 /nfs/dbraw/zinc/32/02/69/296320269.db2.gz NJSFGRZGTMENSN-INIZCTEOSA-N 3 0 301.478 2.760 20 0 DFADRP Cc1ccccc1NC(=O)[C@@H](C)[NH+]1CCC(CC[NH+](C)C)CC1 ZINC000056523401 184015259 /nfs/dbraw/zinc/01/52/59/184015259.db2.gz YOMMZIJBNLVMNZ-MRXNPFEDSA-N 2 0 317.477 2.986 20 0 DFADRP C[C@@H](CCCC[NH3+])[NH2+]C[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000422712947 296320329 /nfs/dbraw/zinc/32/03/29/296320329.db2.gz JCMULQLAKCVPQK-HKUYNNGSSA-N 3 0 303.494 2.658 20 0 DFADRP c1cc(C[NH2+][C@H]2CCC[NH2+]CC2)cc(COC2CCOCC2)c1 ZINC000422710578 296319893 /nfs/dbraw/zinc/31/98/93/296319893.db2.gz LMKHYPPNZBSGPM-SFHVURJKSA-N 2 0 318.461 2.614 20 0 DFADRP Cc1nc(C[NH3+])ccc1[C@@H](C)NC[C@@H](C)C[NH+]1CCCCC1 ZINC000422717093 296321006 /nfs/dbraw/zinc/32/10/06/296321006.db2.gz VJOIERZLHZWAFG-HUUCEWRRSA-N 2 0 304.482 2.621 20 0 DFADRP C[NH+](C)CCCOc1ccc(CN[C@@H]2CCCCC[C@@H]2[NH3+])cc1 ZINC000422718526 296321084 /nfs/dbraw/zinc/32/10/84/296321084.db2.gz PVYBKZBSOJFJDD-RBUKOAKNSA-N 2 0 319.493 2.767 20 0 DFADRP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1[NH2+]CC(C)(C)c1ccccc1Cl ZINC000422715561 296320529 /nfs/dbraw/zinc/32/05/29/296320529.db2.gz SGCDZMNHCACKBO-XEZPLFJOSA-N 2 0 310.869 2.960 20 0 DFADRP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]C1CCN(Cc2ccc(F)cc2)CC1 ZINC000422715318 296320648 /nfs/dbraw/zinc/32/06/48/296320648.db2.gz JBPBEMUIDSVZHV-QFBILLFUSA-N 2 0 319.468 2.897 20 0 DFADRP OCCCC[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000268959275 207123359 /nfs/dbraw/zinc/12/33/59/207123359.db2.gz FGBNSKYQCUISOZ-RBUKOAKNSA-N 2 0 302.462 2.745 20 0 DFADRP CCC(CC)C(=O)N1CCC([NH2+][C@H](CC)[C@H]2CCCC[NH2+]2)CC1 ZINC000422723525 296321654 /nfs/dbraw/zinc/32/16/54/296321654.db2.gz RRYSJUPAIKZZGB-QZTJIDSGSA-N 2 0 323.525 2.924 20 0 DFADRP COc1cccc(C[NH2+][C@@H](C)c2ccc(C[NH3+])nc2C)c1OC ZINC000422724091 296321704 /nfs/dbraw/zinc/32/17/04/296321704.db2.gz UJPJRIDHJVAACQ-LBPRGKRZSA-N 2 0 315.417 2.717 20 0 DFADRP COc1cccc(C[NH2+][C@H](C)c2ccc(C[NH3+])nc2C)c1OC ZINC000422724090 296321747 /nfs/dbraw/zinc/32/17/47/296321747.db2.gz UJPJRIDHJVAACQ-GFCCVEGCSA-N 2 0 315.417 2.717 20 0 DFADRP C[C@@H](NC[C@H]1CC[N@H+](CCc2ccccc2)C1)c1c[nH+]ccc1N ZINC000422721610 296321232 /nfs/dbraw/zinc/32/12/32/296321232.db2.gz VURTUSDODBPCSI-SJLPKXTDSA-N 2 0 324.472 2.709 20 0 DFADRP CC[NH+](CC)C[C@H](C)N[C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422720742 296321442 /nfs/dbraw/zinc/32/14/42/296321442.db2.gz SZTQGYUOOIRPRX-WDYCEAGBSA-N 2 0 317.477 2.562 20 0 DFADRP CC[NH+](CC)CCCN[C@H](c1ccc(OC)cc1)[C@@H]1CCC[NH2+]1 ZINC000422728257 296322395 /nfs/dbraw/zinc/32/23/95/296322395.db2.gz IXWOMOTWQYSQAE-RBUKOAKNSA-N 2 0 319.493 2.810 20 0 DFADRP CCC[C@@](C)(O)C[NH2+]Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000602278377 399417849 /nfs/dbraw/zinc/41/78/49/399417849.db2.gz RMZDPEKLOMNNHU-LJQANCHMSA-N 2 0 320.477 2.802 20 0 DFADRP CCCc1ccc(C[NH2+][C@H]2CCN(C3CC[NH+](C)CC3)C2)cc1 ZINC000602278715 399417933 /nfs/dbraw/zinc/41/79/33/399417933.db2.gz YUPYYQXJYIVPKF-IBGZPJMESA-N 2 0 315.505 2.897 20 0 DFADRP COc1ccc(CCC[NH2+][C@H](C)[C@@H]2CCCC[NH2+]2)cc1OC ZINC000422724395 296322140 /nfs/dbraw/zinc/32/21/40/296322140.db2.gz VNOUEBLWAVHPHS-ZBFHGGJFSA-N 2 0 306.450 2.757 20 0 DFADRP CC(C)CC(=O)Nc1cccc(C[NH2+][C@H](C)[C@H]2CC[NH2+]C2)c1 ZINC000422726070 296322222 /nfs/dbraw/zinc/32/22/22/296322222.db2.gz ZEURZLCMUKYGCF-ZBFHGGJFSA-N 2 0 303.450 2.759 20 0 DFADRP CN(CCC[NH2+]Cc1csc(C(F)(F)F)c1)CC[NH+](C)C ZINC000623576339 399420371 /nfs/dbraw/zinc/42/03/71/399420371.db2.gz RVFRPGMTSYVMBW-UHFFFAOYSA-N 2 0 323.428 2.740 20 0 DFADRP CC[NH+](CC)CCCN[C@@H](c1ccc(OC)cc1)[C@@H]1CCC[NH2+]1 ZINC000422728255 296322426 /nfs/dbraw/zinc/32/24/26/296322426.db2.gz IXWOMOTWQYSQAE-OALUTQOASA-N 2 0 319.493 2.810 20 0 DFADRP C[NH+](C)CCCOc1ccc(C[NH2+]Cc2ccns2)cc1 ZINC000623597570 399424263 /nfs/dbraw/zinc/42/42/63/399424263.db2.gz RVHKLDJEUVPBBP-UHFFFAOYSA-N 2 0 305.447 2.763 20 0 DFADRP CC[C@H](C)[C@](C)(O)C[NH2+]Cc1ccc(OCC[NH+](C)C)cc1 ZINC000602288432 399419547 /nfs/dbraw/zinc/41/95/47/399419547.db2.gz YIZGSVBZHUSEAE-MAUKXSAKSA-N 2 0 308.466 2.514 20 0 DFADRP CC[C@@H]1CCCC[N@@H+]1CCN[C@H](Cc1ccccc1)[C@H](C)[NH3+] ZINC000422730993 296323048 /nfs/dbraw/zinc/32/30/48/296323048.db2.gz MXXBNXJJFNQNRV-QXAKKESOSA-N 2 0 303.494 2.799 20 0 DFADRP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1[NH2+]Cc1ccc(Cl)cc1Cl ZINC000422730820 296323246 /nfs/dbraw/zinc/32/32/46/296323246.db2.gz KLNCBNWGPUKXAG-WFBYXXMGSA-N 2 0 303.233 2.835 20 0 DFADRP CC(C)[NH+]1CCC(O)(C[NH2+][C@H](C)CCc2ccccc2)CC1 ZINC000269003016 207158343 /nfs/dbraw/zinc/15/83/43/207158343.db2.gz KALUFGSJEDJXFD-QGZVFWFLSA-N 2 0 304.478 2.833 20 0 DFADRP c1ccc(N2CCC([NH2+]C3CC[NH+](C4CCC4)CC3)CC2)nc1 ZINC000269029142 207179770 /nfs/dbraw/zinc/17/97/70/207179770.db2.gz RKQWAXXPBAQUFK-UHFFFAOYSA-N 2 0 314.477 2.657 20 0 DFADRP C[N@@H+]1CCCC[C@@H](C[NH2+]Cc2cc(-n3ccnc3)cs2)C1 ZINC000623657766 399438017 /nfs/dbraw/zinc/43/80/17/399438017.db2.gz YQRDHIVQNBUADT-AWEZNQCLSA-N 2 0 304.463 2.755 20 0 DFADRP CC[C@H](CCO)C[NH2+][C@@H](C)c1ccc(OCC[NH+](C)C)cc1 ZINC000269054472 207201984 /nfs/dbraw/zinc/20/19/84/207201984.db2.gz ITSVDSYZEGWIRU-JKSUJKDBSA-N 2 0 308.466 2.686 20 0 DFADRP C[C@@H]([NH2+][C@@H](C)CC[NH+](C)C)c1ccc(N2CCCC2=O)cc1 ZINC000269054858 207205979 /nfs/dbraw/zinc/20/59/79/207205979.db2.gz WNZHQKVBVLUPJQ-LSDHHAIUSA-N 2 0 303.450 2.804 20 0 DFADRP C[NH+]1CCC(O)(C[NH2+]C2CCC(c3ccccc3)CC2)CC1 ZINC000269072827 207219574 /nfs/dbraw/zinc/21/95/74/207219574.db2.gz XLTYYFHTCSVWLL-UHFFFAOYSA-N 2 0 302.462 2.759 20 0 DFADRP CCOC(=O)c1ccc(C[NH+]2CCC(C[NH+](CC)CC)CC2)[nH]1 ZINC000602438049 399444202 /nfs/dbraw/zinc/44/42/02/399444202.db2.gz BHBSCERGVMRBQP-UHFFFAOYSA-N 2 0 321.465 2.745 20 0 DFADRP CC(C)(O)C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000269064912 207214223 /nfs/dbraw/zinc/21/42/23/207214223.db2.gz VJQWMRNORSHEAO-QZTJIDSGSA-N 2 0 302.462 2.744 20 0 DFADRP CCOC(=O)c1ccc(C[NH+]2CCC(CCC[NH+](C)C)CC2)[nH]1 ZINC000602474254 399455314 /nfs/dbraw/zinc/45/53/14/399455314.db2.gz FIJCLNIQVWFRFM-UHFFFAOYSA-N 2 0 321.465 2.745 20 0 DFADRP CCOC(=O)c1cc(C[NH2+]CCCC[N@@H+]2CCCC[C@H]2C)on1 ZINC000602513763 399465781 /nfs/dbraw/zinc/46/57/81/399465781.db2.gz IMAVAZJKXUJQEY-CQSZACIVSA-N 2 0 323.437 2.596 20 0 DFADRP CC[N@H+](Cc1ccc(C(=O)N2CCC(C[NH3+])CC2)cc1)C(C)C ZINC000269192191 207312060 /nfs/dbraw/zinc/31/20/60/207312060.db2.gz RBTIZUQYVYZYCZ-UHFFFAOYSA-N 2 0 317.477 2.728 20 0 DFADRP [NH3+]C[C@@H]1CCCC[C@H]1NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000422735331 296323880 /nfs/dbraw/zinc/32/38/80/296323880.db2.gz VZCJEZSZMRZQDM-XHSDSOJGSA-N 2 0 307.507 2.992 20 0 DFADRP CCC[N@H+](CC)Cc1ccc(C(=O)N[C@@](C)(C[NH3+])C2CC2)cc1 ZINC000269215269 207334032 /nfs/dbraw/zinc/33/40/32/207334032.db2.gz PHGKXYQNFOLXQW-IBGZPJMESA-N 2 0 317.477 2.776 20 0 DFADRP C[C@@H]1CC[NH2+]CC[C@H]1NC[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000422737260 296324096 /nfs/dbraw/zinc/32/40/96/296324096.db2.gz ZKLJERWRYCLRSO-BHIYHBOVSA-N 2 0 301.478 2.801 20 0 DFADRP C[C@@H](NC[C@@H](c1cccs1)[NH+]1CCC(C)CC1)C1C[NH2+]C1 ZINC000422739881 296324610 /nfs/dbraw/zinc/32/46/10/296324610.db2.gz AOKYCPSOVJZCSB-ZBFHGGJFSA-N 2 0 307.507 2.719 20 0 DFADRP COc1ccccc1[C@H](CN[C@H](C)[C@H]1CCC[NH2+]1)[NH+]1CCCC1 ZINC000422746887 296325783 /nfs/dbraw/zinc/32/57/83/296325783.db2.gz ORKOEGGKXXWPKP-NXHRZFHOSA-N 2 0 317.477 2.562 20 0 DFADRP Cc1nc2ccccc2n1CCC[NH2+][C@@H]1CC[NH2+]CC[C@H]1C ZINC000422752124 296326513 /nfs/dbraw/zinc/32/65/13/296326513.db2.gz GYYGTMGGXZQFOD-GDBMZVCRSA-N 2 0 300.450 2.713 20 0 DFADRP C[C@H](Cc1cccc(Br)c1)[NH2+][C@@H](C)[C@@H]1CC[NH2+]C1 ZINC000422751275 296326580 /nfs/dbraw/zinc/32/65/80/296326580.db2.gz BCTKDWITYRVULW-MBNYWOFBSA-N 2 0 311.267 2.968 20 0 DFADRP COCc1cc(C[NH2+][C@H](C)c2ccc(C[NH3+])nc2C)ccc1F ZINC000422751738 296326602 /nfs/dbraw/zinc/32/66/02/296326602.db2.gz ACGPAENBVVOULX-GFCCVEGCSA-N 2 0 317.408 2.985 20 0 DFADRP c1nc2ccccc2n1CC[NH2+][C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1 ZINC000422754954 296327480 /nfs/dbraw/zinc/32/74/80/296327480.db2.gz GKHHJXKKVVRFAZ-GVDBMIGSSA-N 2 0 312.461 2.937 20 0 DFADRP COc1cccc([C@H](CN[C@H](C)[C@@H]2CCC[NH2+]2)[NH+]2CCCC2)c1 ZINC000422753633 296326930 /nfs/dbraw/zinc/32/69/30/296326930.db2.gz GDUXWWKZKCRPJR-MNEFBYGVSA-N 2 0 317.477 2.562 20 0 DFADRP Cc1nc2ccccc2n1CCC[NH2+][C@H]1CC[NH2+]CC[C@@H]1C ZINC000422752426 296326941 /nfs/dbraw/zinc/32/69/41/296326941.db2.gz GYYGTMGGXZQFOD-HOCLYGCPSA-N 2 0 300.450 2.713 20 0 DFADRP CC[C@H]([NH2+]CCCN1CC[NH+](C)CC1)c1cc(C)ccc1C ZINC000623853725 399480132 /nfs/dbraw/zinc/48/01/32/399480132.db2.gz FPNGWBFRKIEWBA-IBGZPJMESA-N 2 0 303.494 2.982 20 0 DFADRP CC[C@H](N[C@H]1CC[N@H+](Cc2ccccc2)C1)[C@H]1CCCC[NH2+]1 ZINC000422761532 296328416 /nfs/dbraw/zinc/32/84/16/296328416.db2.gz MVQDVGBLZMHTKV-GBESFXJTSA-N 2 0 301.478 2.771 20 0 DFADRP COc1ccc(OC)c(CC[NH2+][C@H]2C[C@H]([NH3+])c3ccccc32)c1 ZINC000422761096 296328441 /nfs/dbraw/zinc/32/84/41/296328441.db2.gz MMJJOHNAOKJDOQ-ROUUACIJSA-N 2 0 312.413 2.981 20 0 DFADRP [NH3+][C@H]1CCC[C@@H]1[NH2+]CC1(c2cccc(Cl)c2)CCOCC1 ZINC000422762994 296328861 /nfs/dbraw/zinc/32/88/61/296328861.db2.gz OHWHDMSXRZNWAE-HOTGVXAUSA-N 2 0 308.853 2.858 20 0 DFADRP CCOc1cc(CCC[NH2+][C@H](C)[C@H]2CC[NH2+]C2)ccc1OC ZINC000422763691 296328875 /nfs/dbraw/zinc/32/88/75/296328875.db2.gz ULLKCTWNFGKPQU-ZBFHGGJFSA-N 2 0 306.450 2.614 20 0 DFADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+][C@@H](C)CN1CCC[C@H](C)C1 ZINC000422764487 296329264 /nfs/dbraw/zinc/32/92/64/296329264.db2.gz PSWZFVHZYONDME-KKUMJFAQSA-N 2 0 304.482 2.620 20 0 DFADRP C[C@H](CCC[NH3+])[NH2+]CC1(N[C@H](C)c2ccccc2)CCOCC1 ZINC000422771544 296330416 /nfs/dbraw/zinc/33/04/16/296330416.db2.gz VWOQLDDGEYSBKS-IAGOWNOFSA-N 2 0 319.493 2.603 20 0 DFADRP C[C@@H](NCC(C)(C)[N@H+]1C[C@H](C)C[C@H](C)C1)c1c[nH+]ccc1N ZINC000422773237 296330784 /nfs/dbraw/zinc/33/07/84/296330784.db2.gz ZNDYSQQWJQPQAY-QLFBSQMISA-N 2 0 304.482 2.901 20 0 DFADRP C[C@@H]([NH2+]CCc1ccc(OCC[NH+](C)C)cc1)[C@@H]1CCCCO1 ZINC000623888953 399487680 /nfs/dbraw/zinc/48/76/80/399487680.db2.gz ZTCOTPZPAIJXNB-APWZRJJASA-N 2 0 320.477 2.717 20 0 DFADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+][C@@H]1[C@@H]2CCCO[C@H]2C1(C)C ZINC000422780854 296332111 /nfs/dbraw/zinc/33/21/11/296332111.db2.gz KUOBNWSEHQNLQD-KKBVYLPWSA-N 2 0 303.450 2.703 20 0 DFADRP CCC[NH+]1CCC(N[C@@H]2CC[NH2+][C@H](c3ccccc3)C2)CC1 ZINC000422784256 296332311 /nfs/dbraw/zinc/33/23/11/296332311.db2.gz NVNOVFSUUGCGEB-MOPGFXCFSA-N 2 0 301.478 2.944 20 0 DFADRP C[C@H]([NH2+]CC1CCN(c2cc[nH+]cc2)CC1)[C@@H]1CCCCO1 ZINC000623907701 399491223 /nfs/dbraw/zinc/49/12/23/399491223.db2.gz BDLNJRNRLYNRPB-YJBOKZPZSA-N 2 0 303.450 2.845 20 0 DFADRP C[C@H]([NH2+]CC1CCN(c2cc[nH+]cc2)CC1)[C@H]1CCCCO1 ZINC000623907699 399491368 /nfs/dbraw/zinc/49/13/68/399491368.db2.gz BDLNJRNRLYNRPB-MAUKXSAKSA-N 2 0 303.450 2.845 20 0 DFADRP C[C@H](C[NH2+][C@@H]1CCOC[C@H]1[C@H]1CCC[NH2+]1)Sc1ccccc1 ZINC000422788355 296332853 /nfs/dbraw/zinc/33/28/53/296332853.db2.gz NDAIOHMWACXYBN-BZZMCLGOSA-N 2 0 320.502 2.914 20 0 DFADRP COc1ccc(CC[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)c(OC)c1 ZINC000422787699 296333007 /nfs/dbraw/zinc/33/30/07/296333007.db2.gz UXUBORPLOIKAQM-KURKYZTESA-N 2 0 318.461 2.757 20 0 DFADRP C(C[NH2+][C@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1)COCC1CCOCC1 ZINC000422791258 296333238 /nfs/dbraw/zinc/33/32/38/296333238.db2.gz VVFBIWYOBIIEQB-QRVBRYPASA-N 2 0 324.509 2.720 20 0 DFADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+][C@@H](CN(C)C)c1ccccc1 ZINC000422790134 296333360 /nfs/dbraw/zinc/33/33/60/296333360.db2.gz PBAFUZIIVPXNTJ-KXBFYZLASA-N 2 0 312.461 2.802 20 0 DFADRP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]CCCn1cnc2ccccc21 ZINC000422792594 296333500 /nfs/dbraw/zinc/33/35/00/296333500.db2.gz XHLGELDHCXWPRT-QFBILLFUSA-N 2 0 322.456 2.975 20 0 DFADRP C[NH+](C)C1(CN[C@H]2CC[NH2+][C@@H](c3ccccc3)C2)CCCC1 ZINC000422791822 296333521 /nfs/dbraw/zinc/33/35/21/296333521.db2.gz VGKLCVATVKCALZ-ZWKOTPCHSA-N 2 0 301.478 2.944 20 0 DFADRP CCOC(=O)C1([C@H](C)[NH2+]Cc2ccc(F)c(C)c2)CC[NH2+]CC1 ZINC000422792318 296333608 /nfs/dbraw/zinc/33/36/08/296333608.db2.gz DIRAIBAGOSVMRF-AWEZNQCLSA-N 2 0 322.424 2.545 20 0 DFADRP C[C@@H]1C[NH+](CCCC[NH2+][C@@H]2CCCc3scnc32)C[C@@H](C)O1 ZINC000623916580 399494577 /nfs/dbraw/zinc/49/45/77/399494577.db2.gz SXFDIIXJUSGLLR-RBSFLKMASA-N 2 0 323.506 3.000 20 0 DFADRP CC[C@H](CN[C@@H](C)[C@@H]1CCC[NH2+]1)[N@@H+]1CCc2ccccc2C1 ZINC000422801466 296335471 /nfs/dbraw/zinc/33/54/71/296335471.db2.gz BZKJSABIYSSHRS-IPELMVKDSA-N 2 0 301.478 2.553 20 0 DFADRP CCOC(=O)C1([C@H](C)[NH2+]CCCC2CCCC2)CC[NH2+]CC1 ZINC000422801826 296335484 /nfs/dbraw/zinc/33/54/84/296335484.db2.gz GFWNRROPFXRSPM-HNNXBMFYSA-N 2 0 310.482 2.868 20 0 DFADRP CC(C)[C@@H]([NH3+])C(=O)NCc1ccc(C[N@@H+]2CCCC[C@H]2C)cc1 ZINC000269249286 207386653 /nfs/dbraw/zinc/38/66/53/207386653.db2.gz XIDRIGNKGBXTGQ-CRAIPNDOSA-N 2 0 317.477 2.661 20 0 DFADRP COc1ccc(O[C@H](C)C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)cc1 ZINC000422796881 296334884 /nfs/dbraw/zinc/33/48/84/296334884.db2.gz ZIJRRAMNBQAOLT-UTRMSSBJSA-N 2 0 318.461 2.973 20 0 DFADRP C[C@@H]([NH3+])[C@H](Cc1ccccc1)NCc1cccc(C[NH+](C)C)c1 ZINC000422809199 296336938 /nfs/dbraw/zinc/33/69/38/296336938.db2.gz POXRMLIKEYNQHW-UZLBHIALSA-N 2 0 311.473 2.796 20 0 DFADRP C[C@H]1CC[NH2+]CC[C@H]1[NH2+]Cc1cc(N(C)C)nc2ccccc12 ZINC000422807331 296336671 /nfs/dbraw/zinc/33/66/71/296336671.db2.gz MHJWQFNBFZKMLZ-WMLDXEAASA-N 2 0 312.461 2.779 20 0 DFADRP CO[C@H](C[NH2+][C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)C(C)(C)C ZINC000422807232 296336697 /nfs/dbraw/zinc/33/66/97/296336697.db2.gz JLJIHXIXEYSQJQ-SUMDDJOVSA-N 2 0 318.461 2.893 20 0 DFADRP COc1ccc([C@H]([NH2+][C@@H](C)CCCC[NH3+])c2nccn2C)cc1 ZINC000422812182 296337734 /nfs/dbraw/zinc/33/77/34/296337734.db2.gz QDKHCPNURXIUJB-YOEHRIQHSA-N 2 0 316.449 2.625 20 0 DFADRP C[C@H]1C[N@H+](Cc2cccc(C(=O)Nc3ccccc3)c2)C[C@@H]1C[NH3+] ZINC000631842159 399505799 /nfs/dbraw/zinc/50/57/99/399505799.db2.gz WHQKTDGYLDREMP-YJBOKZPZSA-N 2 0 323.440 2.966 20 0 DFADRP CN(C)[C@H](C[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1)c1ccsc1 ZINC000422813277 296337928 /nfs/dbraw/zinc/33/79/28/296337928.db2.gz ZFFNXXABUZONDU-QBPKDAKJSA-N 2 0 307.507 2.861 20 0 DFADRP C[C@@H](NCc1cccc(C[NH+]2CCCC2)c1)[C@H]1CCCC[NH2+]1 ZINC000422811014 296337392 /nfs/dbraw/zinc/33/73/92/296337392.db2.gz SVLQPJCDUGOFRU-VQIMIIECSA-N 2 0 301.478 2.903 20 0 DFADRP CC(C)(C[NH2+][C@H]1CCCCC[C@H]1[NH3+])c1ccc2c(c1)OCCO2 ZINC000422819820 296339001 /nfs/dbraw/zinc/33/90/01/296339001.db2.gz IYTPTQNYVMTXKK-CVEARBPZSA-N 2 0 318.461 2.985 20 0 DFADRP c1cc(C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)cc(N2CCCC2)n1 ZINC000422817976 296338689 /nfs/dbraw/zinc/33/86/89/296338689.db2.gz IZADMUWGPPCVBN-RCCFBDPRSA-N 2 0 314.477 2.692 20 0 DFADRP C[C@H]([NH2+]CC1CC[NH+](Cc2cccs2)CC1)[C@@H]1CC[NH2+]C1 ZINC000422822992 296339347 /nfs/dbraw/zinc/33/93/47/296339347.db2.gz CERVVGXHVUZSAP-GOEBONIOSA-N 3 0 307.507 2.548 20 0 DFADRP CC[NH+](CC)[C@@H](CN[C@@H](C)[C@H]1CCC[NH2+]1)Cc1ccccc1 ZINC000422828729 296340776 /nfs/dbraw/zinc/34/07/76/296340776.db2.gz GPKJUCMUMGBEJP-QXAKKESOSA-N 2 0 303.494 2.670 20 0 DFADRP CC(C)[C@H](C[NH2+][C@@H]1CCOC[C@@H]1[C@H]1CCC[NH2+]1)c1cccnc1 ZINC000422830962 296341102 /nfs/dbraw/zinc/34/11/02/296341102.db2.gz JDBUACWKZDWAHX-WJFTUGDTSA-N 2 0 317.477 2.568 20 0 DFADRP CC[NH+](CC)[C@H](CN[C@@H]1CC[NH2+]CC[C@H]1C)Cc1ccccc1 ZINC000422832873 296341288 /nfs/dbraw/zinc/34/12/88/296341288.db2.gz LMEBSIPEUGATHE-YZGWKJHDSA-N 2 0 317.521 2.917 20 0 DFADRP C[C@@H](NC[C@H]1CCC[N@H+](Cc2cccs2)C1)[C@@H]1CCC[NH2+]1 ZINC000422834947 296341744 /nfs/dbraw/zinc/34/17/44/296341744.db2.gz HZWQVDBPUJQBGD-INMHGKMJSA-N 2 0 307.507 2.690 20 0 DFADRP C[NH+](C)[C@@H]1CCC[C@H](N[C@H]2CC[NH2+][C@H](c3ccccc3)C2)C1 ZINC000422836441 296342057 /nfs/dbraw/zinc/34/20/57/296342057.db2.gz KFOKWAHVIZHHTN-OKYOBFRVSA-N 2 0 301.478 2.942 20 0 DFADRP C[C@@H]1CC[NH2+]C[C@@H]1NC[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000422841297 296342680 /nfs/dbraw/zinc/34/26/80/296342680.db2.gz VOKLGYNWZWRPFU-INMHGKMJSA-N 2 0 307.507 2.548 20 0 DFADRP COc1ccccc1N1CCC([NH2+][C@@H]2CCCCC[C@H]2[NH3+])CC1 ZINC000422841367 296342861 /nfs/dbraw/zinc/34/28/61/296342861.db2.gz VVNOHTOIDGERQZ-IAGOWNOFSA-N 2 0 317.477 2.914 20 0 DFADRP CO[C@@H](C[NH2+]CC1(SC)CC[NH+](C)CC1)C1CCCC1 ZINC000602665926 399509929 /nfs/dbraw/zinc/50/99/29/399509929.db2.gz FAAAQMGJOYHECY-HNNXBMFYSA-N 2 0 300.512 2.609 20 0 DFADRP Cc1ccc(C[NH2+][C@H](C)C[C@H](C)[NH3+])c(OC[C@H]2CCOC2)c1 ZINC000422849201 296344427 /nfs/dbraw/zinc/34/44/27/296344427.db2.gz BNTUJVVDSHSBNT-XHSDSOJGSA-N 2 0 306.450 2.626 20 0 DFADRP CCNC(=O)c1ccc(C[NH2+][C@H](C)C[C@H]2CCCCC[NH2+]2)cc1 ZINC000422853749 296345258 /nfs/dbraw/zinc/34/52/58/296345258.db2.gz CFNWPFQAPQKDCZ-CRAIPNDOSA-N 2 0 317.477 2.837 20 0 DFADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]C1CCN(CC(F)(F)F)CC1 ZINC000422854533 296345283 /nfs/dbraw/zinc/34/52/83/296345283.db2.gz AZGYVBOQPSVSNB-HIFRSBDPSA-N 2 0 321.431 2.914 20 0 DFADRP C[C@H](CC[NH2+][C@@H]1CCOC[C@H]1[C@@H]1CCC[NH2+]1)c1ccccc1 ZINC000422853348 296345429 /nfs/dbraw/zinc/34/54/29/296345429.db2.gz SAODVYHIFGUDME-XGXHKWSGSA-N 2 0 302.462 2.927 20 0 DFADRP COc1cc2[nH]c(CCC[NH2+][C@H]3CCC[C@H]3[NH3+])cc2c(OC)c1 ZINC000422849773 296344767 /nfs/dbraw/zinc/34/47/67/296344767.db2.gz COGZFNOQVFBINM-CVEARBPZSA-N 2 0 317.433 2.587 20 0 DFADRP C[C@H]1CC[NH2+]CC[C@@H]1[NH2+]CC1(c2ccccc2)CCOCC1 ZINC000422852225 296344872 /nfs/dbraw/zinc/34/48/72/296344872.db2.gz XRXBBPOAQBTKIR-WMZOPIPTSA-N 2 0 302.462 2.713 20 0 DFADRP OCC[NH2+]C1CC[NH+](C2c3ccccc3-c3ccccc32)CC1 ZINC000631861854 399511094 /nfs/dbraw/zinc/51/10/94/399511094.db2.gz BKAWCUYZVMXOEA-UHFFFAOYSA-N 2 0 308.425 2.803 20 0 DFADRP COCCCOc1cc(C)ccc1C[NH2+]C1CCC([NH3+])CC1 ZINC000422862478 296346582 /nfs/dbraw/zinc/34/65/82/296346582.db2.gz KKCQMFODTKQTPS-UHFFFAOYSA-N 2 0 306.450 2.770 20 0 DFADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]C[C@@H](C)N1CCCC[C@H]1C ZINC000422863412 296346706 /nfs/dbraw/zinc/34/67/06/296346706.db2.gz OYWPOHRBZRQUFD-KFWWJZLASA-N 2 0 304.482 2.762 20 0 DFADRP CCCOc1cc(C)ccc1C[NH2+][C@@H]1CCOC[C@@H]1[C@@H](C)[NH3+] ZINC000422869504 296347617 /nfs/dbraw/zinc/34/76/17/296347617.db2.gz AKJHCZOXMKFICG-DJIMGWMZSA-N 2 0 306.450 2.626 20 0 DFADRP COc1cc2[nH]c(CCC[NH2+][C@@H](C)CCC[NH3+])cc2c(OC)c1 ZINC000422869340 296347654 /nfs/dbraw/zinc/34/76/54/296347654.db2.gz WGDGQEWPYNVAHX-ZDUSSCGKSA-N 2 0 319.449 2.835 20 0 DFADRP Cc1ccc(C[NH2+][C@H](C)CCC[NH3+])c(OC[C@H]2CCOC2)c1 ZINC000422870296 296347692 /nfs/dbraw/zinc/34/76/92/296347692.db2.gz XOUVCCIMIRYVPA-CVEARBPZSA-N 2 0 306.450 2.627 20 0 DFADRP COC[C@@H](CCC[NH3+])[NH2+][C@@H](C)c1cccc(N2CCCC2)c1 ZINC000422879940 296349297 /nfs/dbraw/zinc/34/92/97/296349297.db2.gz WFOKSVQIYJNKMC-DOTOQJQBSA-N 2 0 305.466 2.691 20 0 DFADRP CCOc1ccc(C2(C[NH2+][C@H](C)C[C@H](C)[NH3+])CCOCC2)cc1 ZINC000422874543 296348373 /nfs/dbraw/zinc/34/83/73/296348373.db2.gz AIJHRXYXVIVHST-JKSUJKDBSA-N 2 0 320.477 2.849 20 0 DFADRP COc1ccc(OC(F)F)c(C[NH2+][C@H]2CCC[C@H]2C[NH3+])c1 ZINC000422875556 296348785 /nfs/dbraw/zinc/34/87/85/296348785.db2.gz PEBGORQHVVZYIQ-GWCFXTLKSA-N 2 0 300.349 2.514 20 0 DFADRP C[C@@H]([NH2+]Cc1ccc(C[NH+]2C[C@H](C)C[C@@H](C)C2)cc1)C1C[NH2+]C1 ZINC000422875679 296348788 /nfs/dbraw/zinc/34/87/88/296348788.db2.gz FOTVOAFIVVPIHH-BRWVUGGUSA-N 3 0 315.505 2.862 20 0 DFADRP C[C@@H]1C[C@H]([NH2+]C2CCC(C[NH3+])CC2)CN1Cc1ccccc1 ZINC000422875569 296348819 /nfs/dbraw/zinc/34/88/19/296348819.db2.gz PFHMUQSJUFQADX-JVDULTGUSA-N 2 0 301.478 2.757 20 0 DFADRP COc1cc([C@@H](C)[NH2+][C@@H]2CCC[NH2+]CC2)cc(OC)c1OC ZINC000422876348 296348858 /nfs/dbraw/zinc/34/88/58/296348858.db2.gz GFHSQHFSDJCPGW-TZMCWYRMSA-N 2 0 308.422 2.505 20 0 DFADRP CCC1([NH+](C)C)CCN(C[C@@H](C[NH3+])c2ccc(OC)cc2)CC1 ZINC000631865340 399512492 /nfs/dbraw/zinc/51/24/92/399512492.db2.gz IJJLIRSSMCSELX-QGZVFWFLSA-N 2 0 319.493 2.544 20 0 DFADRP C[C@@H]1C[N@@H+](CC2CC[NH+](CC[C@H]3CCCCO3)CC2)C[C@H](C)O1 ZINC000347392390 285028424 /nfs/dbraw/zinc/02/84/24/285028424.db2.gz LCDJNMKAGBCWCY-ZIFCJYIRSA-N 2 0 324.509 2.767 20 0 DFADRP Cc1ccc([C@@H](C[NH2+]C2CCC(C[NH3+])CC2)N2CCCC2)o1 ZINC000422883962 296350175 /nfs/dbraw/zinc/35/01/75/296350175.db2.gz WBSVFGHVPCNJRM-OFLPRAFFSA-N 2 0 305.466 2.832 20 0 DFADRP c1cnn(-c2ccc(C[NH2+][C@@H]3CCC[C@@H]3[C@@H]3CCC[NH2+]3)cc2)c1 ZINC000422882905 296350265 /nfs/dbraw/zinc/35/02/65/296350265.db2.gz POHPHTUGCQHPRD-CEXWTWQISA-N 2 0 310.445 2.883 20 0 DFADRP COc1ccc(CC[NH2+][C@@H]2CCC[NH2+]CC2)cc1OC(F)F ZINC000422881141 296349611 /nfs/dbraw/zinc/34/96/11/296349611.db2.gz PNZOLYCCHUCUEV-CYBMUJFWSA-N 2 0 314.376 2.571 20 0 DFADRP Cc1ccccc1C1(C[NH2+][C@@H]2CCC[C@H]2C[NH3+])CCOCC1 ZINC000422882260 296349639 /nfs/dbraw/zinc/34/96/39/296349639.db2.gz RRZKAWBYDRRIMM-FUHWJXTLSA-N 2 0 302.462 2.760 20 0 DFADRP Cc1ccc(C[NH2+][C@H](C)C[C@H](C)[NH3+])c(OC[C@H]2CCCO2)c1 ZINC000422881873 296349894 /nfs/dbraw/zinc/34/98/94/296349894.db2.gz ZKUBJVWPNQISNL-ZMSDIMECSA-N 2 0 306.450 2.768 20 0 DFADRP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]CCc1ccc(OC(F)(F)F)cc1 ZINC000422891131 296351522 /nfs/dbraw/zinc/35/15/22/296351522.db2.gz KCPWDEWQHSZKLW-JSGCOSHPSA-N 2 0 302.340 2.845 20 0 DFADRP C[C@@H]([NH2+][C@H]1[C@H](C)C[N@@H+](Cc2ccccc2)C[C@@H]1C)[C@@H]1CC[NH2+]C1 ZINC000422891024 296351535 /nfs/dbraw/zinc/35/15/35/296351535.db2.gz UKTMMCCVILLYIS-DSJDWBEOSA-N 3 0 315.505 2.731 20 0 DFADRP C[C@@H]1C[C@@H](C)C[NH+](Cc2ccccc2CN[C@H]2CC[NH2+]C2)C1 ZINC000422892169 296351542 /nfs/dbraw/zinc/35/15/42/296351542.db2.gz MKLFGQAIBSCAEW-MDZRGWNJSA-N 2 0 301.478 2.616 20 0 DFADRP C[C@H]([NH2+][C@H]1[C@H](C)C[N@@H+](Cc2ccccc2)C[C@@H]1C)[C@@H]1CC[NH2+]C1 ZINC000422891026 296351572 /nfs/dbraw/zinc/35/15/72/296351572.db2.gz UKTMMCCVILLYIS-YQXATGRUSA-N 3 0 315.505 2.731 20 0 DFADRP Cc1nc(CC[NH2+][C@H](C)c2ccc(C[NH3+])nc2C)sc1C ZINC000422890314 296351622 /nfs/dbraw/zinc/35/16/22/296351622.db2.gz IDADKOKGYAFDPE-LLVKDONJSA-N 2 0 304.463 2.815 20 0 DFADRP [NH3+]C[C@H]1CCCC[C@@H]1[NH2+]Cc1ccnc(N2CCCCC2)c1 ZINC000422900197 296352842 /nfs/dbraw/zinc/35/28/42/296352842.db2.gz QBONPZYGMNYKEW-SJORKVTESA-N 2 0 302.466 2.679 20 0 DFADRP Cc1nccn1-c1ccc(C[NH2+][C@H](C)CCCC[NH3+])cc1F ZINC000422899890 296352893 /nfs/dbraw/zinc/35/28/93/296352893.db2.gz IJBVCQNIRJRAGG-CYBMUJFWSA-N 2 0 304.413 2.927 20 0 DFADRP C[C@H]([NH2+]C[C@@H]1CCN(c2ccc(F)cc2)C1)[C@H]1CCCC[NH2+]1 ZINC000422902673 296353537 /nfs/dbraw/zinc/35/35/37/296353537.db2.gz UXUMDLNGNJFPSF-RLFYNMQTSA-N 2 0 305.441 2.772 20 0 DFADRP CC[C@H]([NH2+]C[C@H]1CCN(c2ccc(F)cc2)C1)[C@@H]1CCC[NH2+]1 ZINC000422901603 296353083 /nfs/dbraw/zinc/35/30/83/296353083.db2.gz SHZPSKOXSCAQSU-JLSDUUJJSA-N 2 0 305.441 2.772 20 0 DFADRP COc1ccc(COCCC[NH2+][C@@H]2CCCCC[C@H]2[NH3+])cc1 ZINC000422900601 296353125 /nfs/dbraw/zinc/35/31/25/296353125.db2.gz APPKUOYTXYEMLI-QZTJIDSGSA-N 2 0 306.450 2.852 20 0 DFADRP C[C@H]([NH3+])[C@H]1COCC[C@@H]1[NH2+]CC1(Sc2ccccc2)CC1 ZINC000422902493 296353285 /nfs/dbraw/zinc/35/32/85/296353285.db2.gz DKFFYECFEMCGMP-IMJJTQAJSA-N 2 0 306.475 2.653 20 0 DFADRP C[C@H]([NH2+]C[C@@H]1CCN(c2ccc(F)cc2)C1)[C@@H]1CCCC[NH2+]1 ZINC000422902671 296353304 /nfs/dbraw/zinc/35/33/04/296353304.db2.gz UXUMDLNGNJFPSF-MPGHIAIKSA-N 2 0 305.441 2.772 20 0 DFADRP COc1ccc(COCCC[NH2+][C@H]2CCCC[C@@H]2C[NH3+])cc1 ZINC000422902922 296353429 /nfs/dbraw/zinc/35/34/29/296353429.db2.gz FBJJHJSCNQDVEV-AEFFLSMTSA-N 2 0 306.450 2.709 20 0 DFADRP CC(C)COc1cccc(C[NH2+][C@@H]2CCOC[C@@H]2[C@H](C)[NH3+])c1 ZINC000422902660 296353488 /nfs/dbraw/zinc/35/34/88/296353488.db2.gz UXNJQYQYXAFUHT-BMGDILEWSA-N 2 0 306.450 2.563 20 0 DFADRP CC[NH+](CC)CCOc1ccc(CN[C@@H](C)[C@@H]2CCC[NH2+]2)cc1 ZINC000422896313 296352188 /nfs/dbraw/zinc/35/21/88/296352188.db2.gz XQNAUXNEEWDMQZ-LPHOPBHVSA-N 2 0 319.493 2.637 20 0 DFADRP CC[NH+](CC)CCOc1ccc(C[NH2+][C@H]2CCC[C@H]2C[NH3+])cc1 ZINC000422895637 296352196 /nfs/dbraw/zinc/35/21/96/296352196.db2.gz WLPBVQZQQAUUFV-HKUYNNGSSA-N 3 0 319.493 2.624 20 0 DFADRP Cc1nc(CC[NH2+][C@H](Cc2ccccc2)[C@H](C)[NH3+])sc1C ZINC000422895057 296352257 /nfs/dbraw/zinc/35/22/57/296352257.db2.gz VDJXQVNOLCLLBT-BLLLJJGKSA-N 2 0 303.475 2.851 20 0 DFADRP CCc1nc(CC[NH2+][C@H](Cc2ccccc2)[C@@H](C)[NH3+])cs1 ZINC000422897630 296352578 /nfs/dbraw/zinc/35/25/78/296352578.db2.gz CJUOCQDFCXSPIF-CZUORRHYSA-N 2 0 303.475 2.796 20 0 DFADRP C[C@H](CCCC[NH3+])[NH2+]Cc1cccc(CN2CCO[C@H](C)C2)c1 ZINC000422903637 296353707 /nfs/dbraw/zinc/35/37/07/296353707.db2.gz OQICSBSHOUYMJP-IAGOWNOFSA-N 2 0 319.493 2.514 20 0 DFADRP Cc1nccn1-c1ccc(C[NH2+][C@@H]2CCCC[C@@H]2C[NH3+])cc1F ZINC000422904432 296354031 /nfs/dbraw/zinc/35/40/31/296354031.db2.gz PYCPUPZVOZJRON-NVXWUHKLSA-N 2 0 316.424 2.927 20 0 DFADRP CC(C)c1nc(CC[NH2+][C@@H]2CCOC[C@H]2[C@H]2CCC[NH2+]2)cs1 ZINC000422907260 296354304 /nfs/dbraw/zinc/35/43/04/296354304.db2.gz WSEBLBNVWKFNLP-ARFHVFGLSA-N 2 0 323.506 2.556 20 0 DFADRP Fc1cccc(F)c1CN1CCC[C@H]([NH2+][C@@H]2CCC[NH2+]CC2)C1 ZINC000422906519 296354405 /nfs/dbraw/zinc/35/44/05/296354405.db2.gz KBIWJFYWRNJNLR-CABCVRRESA-N 2 0 323.431 2.661 20 0 DFADRP C[C@H]([NH2+]CCc1nc2ccccc2n1C(F)F)[C@@H]1CC[NH2+]C1 ZINC000422910024 296354518 /nfs/dbraw/zinc/35/45/18/296354518.db2.gz HGJXHXQEKPAYOR-NWDGAFQWSA-N 2 0 308.376 2.562 20 0 DFADRP COc1cccc(N2CC[C@H](C[NH2+][C@@H]3CCCC[C@H]3C[NH3+])C2)c1 ZINC000422907625 296354520 /nfs/dbraw/zinc/35/45/20/296354520.db2.gz XGRFFJGNDREMJT-JTDSTZFVSA-N 2 0 317.477 2.629 20 0 DFADRP CCC[C@H]([NH2+][C@H](C)CCC[NH3+])C(=O)N1CCc2sccc2C1 ZINC000422908163 296354583 /nfs/dbraw/zinc/35/45/83/296354583.db2.gz LZFVAHAERMKMIK-HIFRSBDPSA-N 2 0 323.506 2.519 20 0 DFADRP COc1cccc(N2CC[C@H](C[NH2+][C@H]3CCCC[C@@H]3C[NH3+])C2)c1 ZINC000422907626 296354691 /nfs/dbraw/zinc/35/46/91/296354691.db2.gz XGRFFJGNDREMJT-MDZRGWNJSA-N 2 0 317.477 2.629 20 0 DFADRP CC[NH+]1CCN(c2ccccc2N[C@H](C)CCCC[NH3+])CC1 ZINC000422916328 296355447 /nfs/dbraw/zinc/35/54/47/296355447.db2.gz DHXIMJRLRGBRQW-MRXNPFEDSA-N 2 0 304.482 2.758 20 0 DFADRP CC(C)[C@@H]1OCCC[C@@H]1C[NH2+][C@@H](Cc1ccccc1)[C@@H](C)[NH3+] ZINC000422921282 296355602 /nfs/dbraw/zinc/35/56/02/296355602.db2.gz PLNOHJNYSBIISB-YSHGAJCASA-N 2 0 304.478 2.986 20 0 DFADRP C[C@H]([NH2+]Cc1cc(Cl)c2c(c1)OCCCO2)[C@@H]1CC[NH2+]C1 ZINC000422926122 296355898 /nfs/dbraw/zinc/35/58/98/296355898.db2.gz CLCWWQQDNWTZGZ-WCQYABFASA-N 2 0 310.825 2.589 20 0 DFADRP CC(C)[C@H](CN[C@H](C)C[C@H](C)[NH3+])[N@@H+]1CCc2ccccc2C1 ZINC000422925604 296355915 /nfs/dbraw/zinc/35/59/15/296355915.db2.gz BIPYLAXEGWVCAA-FCEWJHQRSA-N 2 0 303.494 2.785 20 0 DFADRP C[N@@H+]1CCC[C@@H]2CN(C(=O)c3ccc(-c4c[nH]cn4)cc3)CC[C@H]21 ZINC000631881524 399516384 /nfs/dbraw/zinc/51/63/84/399516384.db2.gz BQGFDCCJLSMVRD-SJLPKXTDSA-N 2 0 324.428 2.633 20 0 DFADRP C[C@H]([NH2+]C[C@@H]1CCCCN1Cc1cccc(Cl)c1)C1C[NH2+]C1 ZINC000422910505 296354837 /nfs/dbraw/zinc/35/48/37/296354837.db2.gz QVCDVEGHNFEHEM-KSSFIOAISA-N 2 0 321.896 2.892 20 0 DFADRP COC[C@H](CCC[NH3+])[NH2+][C@H](C)[C@@H](OC)c1ccc(Cl)cc1 ZINC000422912429 296354875 /nfs/dbraw/zinc/35/48/75/296354875.db2.gz NDLLPBPZGDMJNG-UHOFOFEASA-N 2 0 314.857 2.760 20 0 DFADRP c1ccc(CC2CC[NH+](CCCCN[C@H]3CC[NH2+]C3)CC2)cc1 ZINC000422911086 296354896 /nfs/dbraw/zinc/35/48/96/296354896.db2.gz SDMSYZDIJJJNDF-FQEVSTJZSA-N 2 0 315.505 2.673 20 0 DFADRP C[C@@H](CCC[NH3+])[NH2+][C@H]1CCCN(Cc2c(F)cccc2F)C1 ZINC000422911303 296354949 /nfs/dbraw/zinc/35/49/49/296354949.db2.gz SQNXBHQVLHQWIE-KBPBESRZSA-N 2 0 311.420 2.646 20 0 DFADRP Clc1ccc(OCC[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)nc1 ZINC000422927990 296356582 /nfs/dbraw/zinc/35/65/82/296356582.db2.gz IESVCUCZBVGQRC-RRFJBIMHSA-N 2 0 309.841 2.624 20 0 DFADRP c1ccc2c(c1)SCC[C@@H]2[NH2+][C@@H]1CCOC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000422928751 296356594 /nfs/dbraw/zinc/35/65/94/296356594.db2.gz MKOISKOVLSJSOA-NXOAAHMSSA-N 2 0 318.486 2.970 20 0 DFADRP C[C@@H]([NH3+])c1ccc(C(=O)NCC2([NH+](C)C)CCCCC2)cc1 ZINC000422932017 296357048 /nfs/dbraw/zinc/35/70/48/296357048.db2.gz YLLFIJXEGSFTOU-CQSZACIVSA-N 2 0 303.450 2.701 20 0 DFADRP COc1cc(OC)cc(OCCC[NH2+][C@@H]2CCCC[C@@H]2C[NH3+])c1 ZINC000422931898 296357358 /nfs/dbraw/zinc/35/73/58/296357358.db2.gz YJEONKQVPMNHOV-RDTXWAMCSA-N 2 0 322.449 2.580 20 0 DFADRP C[C@H]1CC[NH2+]CC[C@@H]1[NH2+]Cc1cc(Cl)c2c(c1)OCCCO2 ZINC000422926482 296356187 /nfs/dbraw/zinc/35/61/87/296356187.db2.gz DEHSTBHUMNBWFT-WFASDCNBSA-N 2 0 324.852 2.979 20 0 DFADRP C[C@H]([NH3+])[C@H]1COCC[C@H]1[NH2+]CCC12CC3CC(CC(C3)C1)C2 ZINC000422928986 296356346 /nfs/dbraw/zinc/35/63/46/296356346.db2.gz NSSMWKOMKBVRFP-SCTLDFNZSA-N 2 0 306.494 2.935 20 0 DFADRP [NH3+]C[C@H]1CCC[C@H]1[NH2+]CCc1ccccc1OC(F)(F)F ZINC000422929133 296356383 /nfs/dbraw/zinc/35/63/83/296356383.db2.gz OIXDXBFPLLCSLL-CHWSQXEVSA-N 2 0 302.340 2.845 20 0 DFADRP C[C@H]([NH3+])[C@@H]1COCC[C@H]1[NH2+]CCC12CC3CC(CC(C3)C1)C2 ZINC000422928984 296356396 /nfs/dbraw/zinc/35/63/96/296356396.db2.gz NSSMWKOMKBVRFP-NBBKQUKZSA-N 2 0 306.494 2.935 20 0 DFADRP [NH3+][C@H]1CCCCC[C@@H]1[NH2+]CCCc1ccc2c(c1)OCCO2 ZINC000422928510 296356445 /nfs/dbraw/zinc/35/64/45/296356445.db2.gz KVZUEEXFSPOZGE-HOTGVXAUSA-N 2 0 304.434 2.640 20 0 DFADRP COC[C@H](CCC[NH3+])[NH2+]Cc1ccc(-c2csc(C)n2)o1 ZINC000422936617 296357981 /nfs/dbraw/zinc/35/79/81/296357981.db2.gz FJZCXQDIHOVBBL-LBPRGKRZSA-N 2 0 309.435 2.555 20 0 DFADRP [NH3+]CC1CCC([NH2+]Cc2nn(-c3ccccc3)c3c2CCC3)CC1 ZINC000422943441 296358540 /nfs/dbraw/zinc/35/85/40/296358540.db2.gz LLXPIKLKDPNWGC-UHFFFAOYSA-N 2 0 324.472 2.968 20 0 DFADRP C[C@@H](CCC[NH3+])[NH2+]CCc1ccc(F)c(Br)c1 ZINC000422936010 296357441 /nfs/dbraw/zinc/35/74/41/296357441.db2.gz LSDSQTCHNQWUDN-JTQLQIEISA-N 2 0 303.219 2.848 20 0 DFADRP C[C@@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]CCOc1ccc(F)cc1 ZINC000422934429 296357505 /nfs/dbraw/zinc/35/75/05/296357505.db2.gz FWFSJRLVHUVPAY-RDTXWAMCSA-N 2 0 302.393 2.753 20 0 DFADRP c1cn(Cc2ccccc2C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)cn1 ZINC000269994033 208047295 /nfs/dbraw/zinc/04/72/95/208047295.db2.gz VRYKAIGVSHGYHX-OALUTQOASA-N 2 0 310.445 2.648 20 0 DFADRP C[C@@H]([NH2+]CCCC(=O)Nc1ccc(Cl)cc1)[C@H]1CCC[NH2+]1 ZINC000422944036 296358958 /nfs/dbraw/zinc/35/89/58/296358958.db2.gz MARYCJKJFNSUKC-IUODEOHRSA-N 2 0 309.841 2.789 20 0 DFADRP CC(C)[C@H](CN[C@H]1CCC[NH2+]CC1)[N@@H+]1CCc2ccccc2C1 ZINC000422947592 296359336 /nfs/dbraw/zinc/35/93/36/296359336.db2.gz YNKRXJZCPKWHMA-PMACEKPBSA-N 2 0 315.505 2.801 20 0 DFADRP CC[C@H]([NH2+][C@H]1CC[NH2+]CC[C@H]1C)c1ccc2c(c1)OCCO2 ZINC000422947109 296359479 /nfs/dbraw/zinc/35/94/79/296359479.db2.gz PXKFEGHKOVBHHM-KBMXLJTQSA-N 2 0 304.434 2.887 20 0 DFADRP [NH3+]C[C@@H]1CCC[C@H]1[NH2+]CCOc1ccc(C(F)(F)F)cc1 ZINC000422948447 296359667 /nfs/dbraw/zinc/35/96/67/296359667.db2.gz RIFXUAKHZNIHPB-SMDDNHRTSA-N 2 0 302.340 2.801 20 0 DFADRP C[C@@H]([NH2+]CCOc1ccc(C(F)(F)F)cc1)[C@@H]1CC[NH2+]C1 ZINC000422949087 296359719 /nfs/dbraw/zinc/35/97/19/296359719.db2.gz SRANRFQYUWVMHB-VXGBXAGGSA-N 2 0 302.340 2.672 20 0 DFADRP C[C@H]([NH3+])C[C@H](C)[NH2+]CCOc1cccc(Br)c1 ZINC000422949352 296359811 /nfs/dbraw/zinc/35/98/11/296359811.db2.gz TUCVISYVZTZCBE-QWRGUYRKSA-N 2 0 301.228 2.543 20 0 DFADRP CC[C@H](NCC1([NH+]2CCCCC2)CCOCC1)[C@H]1CCCC[NH2+]1 ZINC000422951843 296359952 /nfs/dbraw/zinc/35/99/52/296359952.db2.gz AIZLTRXTEWSCMI-ZWKOTPCHSA-N 2 0 323.525 2.532 20 0 DFADRP [NH3+][C@H]1C[C@@H]([NH2+]CCCNC(=O)c2cccs2)c2ccccc21 ZINC000422957030 296360739 /nfs/dbraw/zinc/36/07/39/296360739.db2.gz SAUFEADSKJNVRV-LSDHHAIUSA-N 2 0 315.442 2.602 20 0 DFADRP CC(C)c1ccccc1OCC[NH2+][C@@H]1CCOC[C@@H]1[C@H](C)[NH3+] ZINC000422955565 296360742 /nfs/dbraw/zinc/36/07/42/296360742.db2.gz JNYLCQBKVLDQOO-USXIJHARSA-N 2 0 306.450 2.531 20 0 DFADRP C[C@@H]([NH2+]CCOc1ccccc1C(F)(F)F)[C@@H]1CC[NH2+]C1 ZINC000422954915 296360771 /nfs/dbraw/zinc/36/07/71/296360771.db2.gz INCZWDGEQREWTI-VXGBXAGGSA-N 2 0 302.340 2.672 20 0 DFADRP COC(=O)CC[C@H]([NH2+]C1CCC(C[NH3+])CC1)c1ccccc1 ZINC000422953000 296360251 /nfs/dbraw/zinc/36/02/51/296360251.db2.gz DQOMTRUTNGTQIM-PREGVCBESA-N 2 0 304.434 2.788 20 0 DFADRP CCc1noc(-c2ccc(CC[NH2+][C@@H](C)C[C@H](C)[NH3+])cc2)n1 ZINC000422960534 296361233 /nfs/dbraw/zinc/36/12/33/296361233.db2.gz WUNILGXVGJLMQR-STQMWFEESA-N 2 0 302.422 2.557 20 0 DFADRP C[C@H](c1ccncc1)N1CCC([NH2+][C@@H]2CCCC[C@H]2C[NH3+])CC1 ZINC000422963710 296361544 /nfs/dbraw/zinc/36/15/44/296361544.db2.gz GOLZBFHCEDNJQD-HHXXYDBFSA-N 2 0 316.493 2.714 20 0 DFADRP Cc1nn(-c2ccccc2)cc1CCC[NH2+][C@H]1CCC[C@@H]1C[NH3+] ZINC000422966369 296362039 /nfs/dbraw/zinc/36/20/39/296362039.db2.gz RETBRRYXPKTELM-APWZRJJASA-N 2 0 312.461 2.830 20 0 DFADRP Cc1nc(C[NH3+])ccc1[C@H](C)NC[C@H](C(C)C)[NH+]1CCCC1 ZINC000422969001 296362740 /nfs/dbraw/zinc/36/27/40/296362740.db2.gz YKLYIYCBPLHJAZ-KBXCAEBGSA-N 2 0 304.482 2.620 20 0 DFADRP COCCNc1ccc(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)cc1 ZINC000422968871 296362757 /nfs/dbraw/zinc/36/27/57/296362757.db2.gz SJTFKWJWFFGYRQ-CEXWTWQISA-N 2 0 317.477 2.755 20 0 DFADRP CC1CC[NH+](Cc2ccccc2CN[C@H]2CCC[C@@H]2[NH3+])CC1 ZINC000422968218 296362554 /nfs/dbraw/zinc/36/25/54/296362554.db2.gz QRXKZYQLMJPMOJ-OALUTQOASA-N 2 0 301.478 2.888 20 0 DFADRP c1ccc(CO[C@H]2CCC[C@@H]2[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000422987352 296364159 /nfs/dbraw/zinc/36/41/59/296364159.db2.gz GAMMUHHDMSIUKR-VUXNLXKLSA-N 2 0 300.446 2.997 20 0 DFADRP COCCC1(C[NH2+][C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)CC1 ZINC000422988195 296364210 /nfs/dbraw/zinc/36/42/10/296364210.db2.gz INNXTUMTAMITOG-QFBILLFUSA-N 2 0 316.445 2.649 20 0 DFADRP c1oc2ccccc2c1C[NH2+][C@@H]1CCOC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000422976747 296363430 /nfs/dbraw/zinc/36/34/30/296363430.db2.gz DTFBDJGIKHQSIF-YESZJQIVSA-N 2 0 300.402 2.680 20 0 DFADRP CC(C)(CCCO)C[NH2+][C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422993639 296364861 /nfs/dbraw/zinc/36/48/61/296364861.db2.gz RWHWGJJVIKWTPN-VQIMIIECSA-N 2 0 318.461 2.631 20 0 DFADRP CC(C)(CCCO)C[NH2+][C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422993638 296365000 /nfs/dbraw/zinc/36/50/00/296365000.db2.gz RWHWGJJVIKWTPN-QFBILLFUSA-N 2 0 318.461 2.631 20 0 DFADRP CCC(CC)[C@H](CC[NH2+][C@@H]1CCOC[C@@H]1[C@H]1CCC[NH2+]1)OC ZINC000423001098 296366018 /nfs/dbraw/zinc/36/60/18/296366018.db2.gz WMSHUIMKLQAWPA-TVFCKZIOSA-N 2 0 312.498 2.574 20 0 DFADRP Cc1cn2c(n1)[C@H](C[NH2+][C@@H](Cc1ccccc1)[C@@H](C)[NH3+])CCC2 ZINC000423005529 296366130 /nfs/dbraw/zinc/36/61/30/296366130.db2.gz MLMICPHZGXITIJ-NJAFHUGGSA-N 2 0 312.461 2.617 20 0 DFADRP Cc1cn2c(n1)[C@H](C[NH2+][C@@H](C)C[C@@H]1CCCCC[NH2+]1)CCC2 ZINC000423004105 296366278 /nfs/dbraw/zinc/36/62/78/296366278.db2.gz JEHVFAFUEYILDE-XIRDDKMYSA-N 2 0 304.482 2.969 20 0 DFADRP [NH3+]C[C@H]1CCCC[C@H]1[NH2+]CCOc1ncccc1C(F)(F)F ZINC000422999207 296365444 /nfs/dbraw/zinc/36/54/44/296365444.db2.gz SCERGADLNOYYRE-DGCLKSJQSA-N 2 0 317.355 2.586 20 0 DFADRP CN1CC[C@@H]([NH2+]C2CCC([NH3+])CC2)[C@H]1c1ccc(Cl)cc1 ZINC000423008635 296367097 /nfs/dbraw/zinc/36/70/97/296367097.db2.gz ATCRMSTYHWCIOA-BHUNQDJPSA-N 2 0 307.869 2.945 20 0 DFADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]CC1(CCO)CCCCC1 ZINC000423006351 296366532 /nfs/dbraw/zinc/36/65/32/296366532.db2.gz OHXRWSYTHBHSAU-CQSZACIVSA-N 2 0 305.466 2.832 20 0 DFADRP Cc1ccc([C@H](Cn2ccnc2)[NH2+][C@@H](C)C[C@H](C)[NH3+])c(C)c1 ZINC000423007880 296366546 /nfs/dbraw/zinc/36/65/46/296366546.db2.gz YXUBPJFZCJDODJ-BQFCYCMXSA-N 2 0 300.450 2.957 20 0 DFADRP Cc1ccc([C@H](Cn2ccnc2)[NH2+][C@@H](C)[C@@H]2CC[NH2+]C2)c(C)c1 ZINC000423006481 296366603 /nfs/dbraw/zinc/36/66/03/296366603.db2.gz VKLXEPVSUJNADM-SCTDSRPQSA-N 2 0 312.461 2.829 20 0 DFADRP CCC[C@H](CCO)C[NH2+][C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423006362 296366833 /nfs/dbraw/zinc/36/68/33/296366833.db2.gz OJCLZQHZMYXDDE-AYBZRNKSSA-N 2 0 318.461 2.631 20 0 DFADRP Fc1ccc([C@H]2OCC[C@H]2[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1F ZINC000423014789 296367761 /nfs/dbraw/zinc/36/77/61/296367761.db2.gz JKCOPCBIMFONFM-JMADWBEWSA-N 2 0 308.372 2.667 20 0 DFADRP C[C@H]([NH3+])[C@@H]1COCC[C@H]1[NH2+]C[C@]1(C)CCCc2ccccc21 ZINC000423017321 296368134 /nfs/dbraw/zinc/36/81/34/296368134.db2.gz OLRFADCABPRXNN-WQCNXYOZSA-N 2 0 302.462 2.623 20 0 DFADRP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1[NH2+]C[C@@]1(C)CCCc2ccccc21 ZINC000423017320 296368202 /nfs/dbraw/zinc/36/82/02/296368202.db2.gz OLRFADCABPRXNN-OYSPMZIOSA-N 2 0 302.462 2.623 20 0 DFADRP C[C@H](CCCC[NH3+])[NH2+][C@H](c1ccn(C)n1)c1ccc(F)cc1 ZINC000423020320 296368327 /nfs/dbraw/zinc/36/83/27/296368327.db2.gz ZXYAMVAQEBCONG-DYVFJYSZSA-N 2 0 304.413 2.756 20 0 DFADRP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+]C[C@H](O)CCc1ccccc1 ZINC000423026453 296369201 /nfs/dbraw/zinc/36/92/01/296369201.db2.gz BGJODNKKMJOZTI-BHIYHBOVSA-N 2 0 304.478 2.881 20 0 DFADRP COC[C@H](CCC[NH3+])[NH2+][C@H]1CCCOc2cc(Cl)ccc21 ZINC000423024039 296369278 /nfs/dbraw/zinc/36/92/78/296369278.db2.gz ILAHPLCZAKTPCX-ZFWWWQNUSA-N 2 0 312.841 2.897 20 0 DFADRP COc1ccc(C[C@H](C)C[NH2+][C@H]2CCCC[C@@H]2C[NH3+])cc1OC ZINC000423025856 296369288 /nfs/dbraw/zinc/36/92/88/296369288.db2.gz PGQADBQAQZYKMU-UAGQMJEPSA-N 2 0 320.477 2.990 20 0 DFADRP Cc1nn(C)c(C)c1CCC[NH2+][C@H](C)C[C@@H]1CCCCC[NH2+]1 ZINC000423018895 296368520 /nfs/dbraw/zinc/36/85/20/296368520.db2.gz SIGKPCJXSMMKMQ-PBHICJAKSA-N 2 0 306.498 2.870 20 0 DFADRP COc1ccccc1OC[C@H](C)C[NH2+][C@@H]1CC[NH2+]CC[C@H]1C ZINC000423020867 296368546 /nfs/dbraw/zinc/36/85/46/296368546.db2.gz DAESMXYVNOIMBQ-BZUAXINKSA-N 2 0 306.450 2.688 20 0 DFADRP C[C@H]([NH2+][C@@H]1CCN(c2ccc(Cl)c(F)c2)C1)[C@H]1CC[NH2+]C1 ZINC000423020668 296368679 /nfs/dbraw/zinc/36/86/79/296368679.db2.gz CNKPYQRBVZAKLQ-RWMBFGLXSA-N 2 0 311.832 2.645 20 0 DFADRP Fc1cc(N2CC[C@@H]([NH2+]C3C[C@H]4CC[C@@H](C3)[NH2+]4)C2)ccc1Cl ZINC000423022530 296368752 /nfs/dbraw/zinc/36/87/52/296368752.db2.gz IDQMMQPFYJIXSB-RBKKPWLPSA-N 2 0 323.843 2.930 20 0 DFADRP CC[N@H+](Cc1ccc(C(=O)N2C[C@@H](C[NH3+])C[C@H]2C)cc1)C(C)C ZINC000261889906 285098450 /nfs/dbraw/zinc/09/84/50/285098450.db2.gz VGGJSYLFWUPEID-NVXWUHKLSA-N 2 0 317.477 2.726 20 0 DFADRP COc1ccc(C[C@@H](C)C[NH2+][C@H](C)[C@H]2CCC[NH2+]2)cc1OC ZINC000423033970 296370357 /nfs/dbraw/zinc/37/03/57/296370357.db2.gz ZZAJLVHHMQCWAU-IIAWOOMASA-N 2 0 306.450 2.613 20 0 DFADRP Cc1cc(C[NH+](C)C)cc(N[C@@H]2CCOC[C@H]2[C@H]2CCC[NH2+]2)c1 ZINC000423031320 296369920 /nfs/dbraw/zinc/36/99/20/296369920.db2.gz UWENFKLXHRXSCO-IPMKNSEASA-N 2 0 317.477 2.626 20 0 DFADRP Cc1cc(C[NH+](C)C)cc(N[C@@H]2CCOC[C@@H]2[C@@H]2CCC[NH2+]2)c1 ZINC000423031314 296370019 /nfs/dbraw/zinc/37/00/19/296370019.db2.gz UWENFKLXHRXSCO-CEXWTWQISA-N 2 0 317.477 2.626 20 0 DFADRP CCOC(=O)C1([C@H](C)[NH2+][C@@H]2CC[C@@H](C)[C@H](C)C2)CC[NH2+]CC1 ZINC000423037117 296370645 /nfs/dbraw/zinc/37/06/45/296370645.db2.gz MLTJYMQKVNMSIN-LVQVYYBASA-N 2 0 310.482 2.722 20 0 DFADRP C[C@H](CCC[NH3+])[NH2+][C@@H](c1ccn(C)n1)c1ccc(Cl)cc1 ZINC000423037311 296370656 /nfs/dbraw/zinc/37/06/56/296370656.db2.gz MPTDQKWZUKBDHX-MLGOLLRUSA-N 2 0 306.841 2.880 20 0 DFADRP COC[C@H](CCC[NH3+])[NH2+][C@H](C)Cc1ccccc1C(F)(F)F ZINC000423038109 296370711 /nfs/dbraw/zinc/37/07/11/296370711.db2.gz CQAXZGOHFNAOMR-OCCSQVGLSA-N 2 0 318.383 2.980 20 0 DFADRP c1ccc2c(c1)CC([NH2+][C@@H]1C[C@@]3(CC[NH2+]C3)Oc3ccccc31)C2 ZINC000423040204 296371053 /nfs/dbraw/zinc/37/10/53/296371053.db2.gz SMOBREWWYLDGLI-TZIWHRDSSA-N 2 0 320.436 2.999 20 0 DFADRP C[C@@H]1CN(Cc2ccccc2)C[C@@H]1[NH2+]C1CCC(C[NH3+])CC1 ZINC000423045399 296371319 /nfs/dbraw/zinc/37/13/19/296371319.db2.gz CWZRVORGTPQTSZ-JVDULTGUSA-N 2 0 301.478 2.614 20 0 DFADRP Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)[NH2+][C@@H](C)[C@@H]1CC[NH2+]C1 ZINC000423050794 296371909 /nfs/dbraw/zinc/37/19/09/296371909.db2.gz ZIZVIUHVFDCBKV-OUJBWJOFSA-N 2 0 318.387 2.711 20 0 DFADRP Cn1nc(CC[NH2+][C@@H]2C[C@H]([NH3+])c3ccccc32)c2ccccc21 ZINC000423048762 296371947 /nfs/dbraw/zinc/37/19/47/296371947.db2.gz IRXXZZTZAVGMFN-FUHWJXTLSA-N 2 0 306.413 2.850 20 0 DFADRP Cn1cc(CC[NH2+][C@@H]2CCCC[C@H]2C[NH3+])c2ccc(F)cc21 ZINC000423049323 296371954 /nfs/dbraw/zinc/37/19/54/296371954.db2.gz JOENLDBRTOVDOE-SUMWQHHRSA-N 2 0 303.425 2.967 20 0 DFADRP C[C@@H](CCCC[NH3+])[NH2+]CCN1CCc2c(Cl)cccc2C1 ZINC000423053255 296372481 /nfs/dbraw/zinc/37/24/81/296372481.db2.gz ADXSUQMQCHUCRE-AWEZNQCLSA-N 2 0 309.885 2.805 20 0 DFADRP C[C@H]1CC[C@H]([NH2+]CCCN2CCC[C@H]2C(N)=O)c2ccccc21 ZINC000624085280 399548615 /nfs/dbraw/zinc/54/86/15/399548615.db2.gz KITHRENPPCYQGS-WBAXXEDZSA-N 2 0 315.461 2.554 20 0 DFADRP Cn1c(C[NH2+][C@H]2CCCC[C@@H]2C[NH3+])nc2cccc(Cl)c21 ZINC000423056413 296372742 /nfs/dbraw/zinc/37/27/42/296372742.db2.gz XMXZNZOFLJSPHN-YPMHNXCESA-N 2 0 306.841 2.834 20 0 DFADRP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]C[C@]1(C)CCO[C@H]1C1CC1 ZINC000423049293 296372074 /nfs/dbraw/zinc/37/20/74/296372074.db2.gz JVJBVCBHTRMANJ-QZHFEQFPSA-N 2 0 302.462 2.740 20 0 DFADRP C[N@H+](Cc1ccccc1)[C@H](CN[C@H]1CCC[C@H]1C[NH3+])C1CC1 ZINC000423048821 296372079 /nfs/dbraw/zinc/37/20/79/296372079.db2.gz AEWJQHNVHJTUHH-GBESFXJTSA-N 2 0 301.478 2.614 20 0 DFADRP Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)[NH2+][C@@H](C)[C@H]1CC[NH2+]C1 ZINC000423050792 296372123 /nfs/dbraw/zinc/37/21/23/296372123.db2.gz ZIZVIUHVFDCBKV-KWBADKCTSA-N 2 0 318.387 2.711 20 0 DFADRP COc1ccc([C@@H](NCC2([NH+](C)C)CCC2)[C@@H]2CCC[NH2+]2)cc1 ZINC000423053870 296372310 /nfs/dbraw/zinc/37/23/10/296372310.db2.gz BEALIVQJIDJTHN-ZWKOTPCHSA-N 2 0 317.477 2.562 20 0 DFADRP [NH3+]CC1CCC([NH2+]C[C@@]2(O)CCC[C@H](C(F)(F)F)C2)CC1 ZINC000423060225 296373546 /nfs/dbraw/zinc/37/35/46/296373546.db2.gz HSUXZBTZZQONHM-GNRIBBGQSA-N 2 0 308.388 2.577 20 0 DFADRP C[C@@H](NC[C@]1(C)CCC[N@@H+]1Cc1ccccc1)[C@H]1CCC[NH2+]1 ZINC000423067127 296374471 /nfs/dbraw/zinc/37/44/71/296374471.db2.gz YNKPJQDKDIJFAV-QRQLOZEOSA-N 2 0 301.478 2.771 20 0 DFADRP Cc1ccccc1[C@@H]([C@H](C)NC1C[C@H]2CC[C@@H](C1)[NH2+]2)[NH+](C)C ZINC000423064658 296373769 /nfs/dbraw/zinc/37/37/69/296373769.db2.gz ZKEMFHJTAMWDQR-ASCQJNAESA-N 2 0 301.478 2.859 20 0 DFADRP Cn1c2ccc(Cl)cc2nc1C[NH2+]C1CCC(C[NH3+])CC1 ZINC000423063906 296373823 /nfs/dbraw/zinc/37/38/23/296373823.db2.gz PWRCCHJEVZQACU-UHFFFAOYSA-N 2 0 306.841 2.834 20 0 DFADRP [NH3+][C@@H]1CCC[C@H]1[NH2+][C@@H]1CCN(c2ccccc2C(F)(F)F)C1 ZINC000423062812 296373857 /nfs/dbraw/zinc/37/38/57/296373857.db2.gz NUUSCZFQQZMNFZ-MRVWCRGKSA-N 2 0 313.367 2.754 20 0 DFADRP CC[C@H]([NH2+]C[C@@]1(O)CCC[C@H](C(F)(F)F)C1)[C@@H]1CCC[NH2+]1 ZINC000423063049 296373901 /nfs/dbraw/zinc/37/39/01/296373901.db2.gz OHCBORQDEDTDGX-XDQVBPFNSA-N 2 0 308.388 2.590 20 0 DFADRP CCC(O)(CC)CC[NH2+][C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423074573 296375227 /nfs/dbraw/zinc/37/52/27/296375227.db2.gz UZYJSTNZRAYEON-LPHOPBHVSA-N 2 0 318.461 2.773 20 0 DFADRP [NH3+]C[C@H]1CCC[C@@H]1[NH2+]CCCOc1ccc(C(F)(F)F)cn1 ZINC000423068849 296374649 /nfs/dbraw/zinc/37/46/49/296374649.db2.gz CXMQDGXRVNZOHJ-YPMHNXCESA-N 2 0 317.355 2.586 20 0 DFADRP OC[C@H](Cc1ccc(F)cc1)[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1 ZINC000423071724 296374784 /nfs/dbraw/zinc/37/47/84/296374784.db2.gz IBZNYAUGQZAOOE-ZSYWTGECSA-N 2 0 320.452 2.630 20 0 DFADRP C[C@H](CCC[NH3+])[NH2+]C[C@]1(Cc2ccc(F)cc2)CCC[C@@H]1O ZINC000423071336 296374815 /nfs/dbraw/zinc/37/48/15/296374815.db2.gz FJLBZPJOYAPJQJ-FHLIZLRMSA-N 2 0 308.441 2.616 20 0 DFADRP Cn1ccnc1CN1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000159047815 197321663 /nfs/dbraw/zinc/32/16/63/197321663.db2.gz VPMPDGBDOWOGTE-RTBURBONSA-N 2 0 324.472 2.907 20 0 DFADRP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]C[C@]1(Cc2ccc(F)cc2)CCC[C@@H]1O ZINC000423080017 296376114 /nfs/dbraw/zinc/37/61/14/296376114.db2.gz ZDOFTFQUQLJUJT-DSLXNQLJSA-N 2 0 320.452 2.616 20 0 DFADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+][C@H](CO)Cc1ccc(F)cc1 ZINC000423083070 296376235 /nfs/dbraw/zinc/37/62/35/296376235.db2.gz YEVOXPXXXUHBGI-JLSDUUJJSA-N 2 0 308.441 2.630 20 0 DFADRP COC[C@H](CCC[NH3+])[NH2+]Cc1ccc(-c2ccco2)cc1F ZINC000423082573 296376272 /nfs/dbraw/zinc/37/62/72/296376272.db2.gz DLUDTLSTOBFNEY-HNNXBMFYSA-N 2 0 306.381 2.929 20 0 DFADRP Cc1cccc(CC[NH2+][C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)n1 ZINC000423087017 296376672 /nfs/dbraw/zinc/37/66/72/296376672.db2.gz OPJOTUMFVYVVPS-QUCCMNQESA-N 2 0 323.440 2.778 20 0 DFADRP CCCC(=O)Nc1ccc(C[NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)cc1 ZINC000158864935 197307108 /nfs/dbraw/zinc/30/71/08/197307108.db2.gz URCUNHYEHWINFW-PBHICJAKSA-N 2 0 303.450 2.998 20 0 DFADRP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1[NH2+][C@H]1CC[C@@H](c2cccc(F)c2)C1 ZINC000423092043 296376961 /nfs/dbraw/zinc/37/69/61/296376961.db2.gz AGJPSZLQVHIASG-CNDNWHGTSA-N 2 0 306.425 2.804 20 0 DFADRP [NH3+][C@@H]1C[C@@H]([NH2+]C2CCN(c3nccs3)CC2)c2ccccc21 ZINC000423095992 296377830 /nfs/dbraw/zinc/37/78/30/296377830.db2.gz GUEITMGNUSRFJO-HZPDHXFCSA-N 2 0 314.458 2.846 20 0 DFADRP [NH3+]C[C@H]1CCC[C@H]1[NH2+]C1CC(N2CCC(C(F)(F)F)CC2)C1 ZINC000423088742 296377289 /nfs/dbraw/zinc/37/72/89/296377289.db2.gz SOLVLXHHACFRNJ-GALLPEHLSA-N 2 0 319.415 2.509 20 0 DFADRP C1C(N[C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)CC1[NH+]1CCCCC1 ZINC000423092942 296377526 /nfs/dbraw/zinc/37/75/26/296377526.db2.gz DYVOQAZKZHPDHS-ADXGEFSYSA-N 2 0 305.510 2.904 20 0 DFADRP CC(=O)Nc1cccc(C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)c1 ZINC000158631194 197289738 /nfs/dbraw/zinc/28/97/38/197289738.db2.gz ZQUMUMLHOSNDEM-SJLPKXTDSA-N 2 0 301.434 2.561 20 0 DFADRP C[C@H]([NH3+])[C@@H]1COCC[C@H]1[NH2+][C@H]1C[C@H](c2cc(F)cc(F)c2)C1 ZINC000423100293 296378201 /nfs/dbraw/zinc/37/82/01/296378201.db2.gz VBAUKSBFAGKZEZ-UWIRNFLKSA-N 2 0 310.388 2.553 20 0 DFADRP C[C@@H]1CSC[C@@H]1[NH2+][C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423100893 296378372 /nfs/dbraw/zinc/37/83/72/296378372.db2.gz CCTFSVUYCNDVSW-DYWXZXKOSA-N 2 0 304.459 2.583 20 0 DFADRP C[C@@H]1CN(C)C[C@@H]1[NH2+]Cc1ccccc1C[NH+]1CCC(C)CC1 ZINC000347683483 285128782 /nfs/dbraw/zinc/12/87/82/285128782.db2.gz JEZYUQFGCCHCMD-XLIONFOSSA-N 2 0 315.505 2.958 20 0 DFADRP Cc1ccccc1[C@H]1C[C@H]([NH2+][C@@H]2CCOC[C@@H]2[C@H]2CCC[NH2+]2)C1 ZINC000423106354 296379080 /nfs/dbraw/zinc/37/90/80/296379080.db2.gz RKCMMFDBWDNLKX-YKXHTNLXSA-N 2 0 314.473 2.988 20 0 DFADRP C[C@H]([NH2+]C[C@H]1CCCC[N@H+](C)C1)c1ccc2c(c1)CCC(=O)N2 ZINC000624121057 399560366 /nfs/dbraw/zinc/56/03/66/399560366.db2.gz MTGIQYVHBLWCGH-LSDHHAIUSA-N 2 0 315.461 2.954 20 0 DFADRP COc1ccc([C@H]2C[C@H]([NH2+]C3C[C@H]4CC[C@@H](C3)[NH2+]4)C2)cc1F ZINC000423106813 296378825 /nfs/dbraw/zinc/37/88/25/296378825.db2.gz DINOKVFJFFANSF-WSTAPGMRSA-N 2 0 304.409 2.953 20 0 DFADRP C[C@@H]([NH2+]C[C@@H]1CCCC[N@H+](C)C1)c1ccc(-n2cncn2)cc1 ZINC000624120365 399560722 /nfs/dbraw/zinc/56/07/22/399560722.db2.gz XJSQJNSLRLFLSY-CVEARBPZSA-N 2 0 313.449 2.650 20 0 DFADRP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1[NH2+]CCCc1c[nH]c2ccc(F)cc12 ZINC000423111357 296379590 /nfs/dbraw/zinc/37/95/90/296379590.db2.gz IXHZHEFQMJAKLG-IWEFOYFVSA-N 2 0 319.424 2.582 20 0 DFADRP C[C@@H](CC(=O)N(C)c1ccccc1)[NH2+]C[C@H]1CCCC[N@H+](C)C1 ZINC000624121623 399561379 /nfs/dbraw/zinc/56/13/79/399561379.db2.gz ZCCQZLYNLLSNEA-DLBZAZTESA-N 2 0 317.477 2.750 20 0 DFADRP CC1(C)SC[C@@H]1[NH2+][C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423113965 296380086 /nfs/dbraw/zinc/38/00/86/296380086.db2.gz ZLUNVQIFUYMFAG-KMFMINBZSA-N 2 0 304.459 2.726 20 0 DFADRP C[NH+](C)CCC1CC[NH+]([C@@H](C(=O)OC(C)(C)C)C2CC2)CC1 ZINC000602765790 399561934 /nfs/dbraw/zinc/56/19/34/399561934.db2.gz ZOYICUKANVOLBU-MRXNPFEDSA-N 2 0 310.482 2.770 20 0 DFADRP CC(=O)N1C[C@@H]2CCC[C@H]([NH2+][C@H](C)C[C@@H]3CCCCC[NH2+]3)[C@H]2C1 ZINC000423120464 296380622 /nfs/dbraw/zinc/38/06/22/296380622.db2.gz GTVZJIGQQUTOBL-RFZNHBKKSA-N 2 0 321.509 2.534 20 0 DFADRP CC(C)[N@@H+](C)C[C@H](C)N[C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423119140 296380624 /nfs/dbraw/zinc/38/06/24/296380624.db2.gz BGXKZJYVUUHIOS-VDZJLULYSA-N 2 0 317.477 2.561 20 0 DFADRP C[C@@H]([NH2+]C[C@H]1CCCC[N@H+](C)C1)c1ccccc1-n1ccnn1 ZINC000624123412 399561869 /nfs/dbraw/zinc/56/18/69/399561869.db2.gz LNVFLHMMKDXCKJ-HZPDHXFCSA-N 2 0 313.449 2.650 20 0 DFADRP CC[C@H](NC[C@]1(CO)C[C@@H]1c1ccccc1)[C@@H]1CCCC[NH2+]1 ZINC000423119857 296380853 /nfs/dbraw/zinc/38/08/53/296380853.db2.gz DWRXOQKYZMLQFO-XWSJACJDSA-N 2 0 302.462 2.663 20 0 DFADRP Cc1cc(C[NH2+][C@H]2CCCC[C@H]2C[NH3+])cc(N2CCCC2)n1 ZINC000423122427 296381078 /nfs/dbraw/zinc/38/10/78/296381078.db2.gz KRZDCBZFBFFJMG-IRXDYDNUSA-N 2 0 302.466 2.597 20 0 DFADRP C[C@@H]([NH2+]C1(Cc2ccccc2Br)CC1)C1C[NH2+]C1 ZINC000423121706 296381239 /nfs/dbraw/zinc/38/12/39/296381239.db2.gz BDCLWDXRYBCFSR-LLVKDONJSA-N 2 0 309.251 2.722 20 0 DFADRP C[C@H]([NH3+])[C@H]1COCC[C@H]1[NH2+]CCc1cc2ccccc2s1 ZINC000423129880 296382161 /nfs/dbraw/zinc/38/21/61/296382161.db2.gz FXZULMGIYZNRSH-APHBMKBZSA-N 2 0 304.459 2.786 20 0 DFADRP c1ccc2c(c1)CC1(CCOCC1)[C@@H]2[NH2+][C@H]1CCC[NH2+]CC1 ZINC000423131139 296382312 /nfs/dbraw/zinc/38/23/12/296382312.db2.gz ZHDRYOGVASRLIP-FUHWJXTLSA-N 2 0 300.446 2.812 20 0 DFADRP C[C@H]([NH2+][C@@H]1c2ccccc2CC12CCOCC2)[C@@H]1CC[NH2+]C1 ZINC000423124790 296381724 /nfs/dbraw/zinc/38/17/24/296381724.db2.gz PCYHPKJOTNBJJK-YXJHDRRASA-N 2 0 300.446 2.668 20 0 DFADRP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]CCCCC[NH+]1CCCC1 ZINC000423137264 296382906 /nfs/dbraw/zinc/38/29/06/296382906.db2.gz QLZKCIDVAWDJDZ-HKUYNNGSSA-N 3 0 303.494 2.801 20 0 DFADRP c1ccc([C@@H]2C[C@H]2C[NH2+][C@@H]2CCOC[C@@H]2[C@H]2CCC[NH2+]2)cc1 ZINC000423136958 296382948 /nfs/dbraw/zinc/38/29/48/296382948.db2.gz QESGSDPEBKQQPJ-NTZUZEMLSA-N 2 0 300.446 2.537 20 0 DFADRP c1ccc([C@@H]2C[C@H]2C[NH2+][C@@H]2CCOC[C@H]2[C@@H]2CCC[NH2+]2)cc1 ZINC000423136960 296383175 /nfs/dbraw/zinc/38/31/75/296383175.db2.gz QESGSDPEBKQQPJ-VPAKFMSCSA-N 2 0 300.446 2.537 20 0 DFADRP Cc1nccn1CC[N@H+](Cc1ccccc1)C1(CO)CCCC1 ZINC000625469455 399566024 /nfs/dbraw/zinc/56/60/24/399566024.db2.gz SYJJBGLXXZULKU-UHFFFAOYSA-N 2 0 313.445 2.999 20 0 DFADRP Cc1ccc(F)c(C[N@@H+](C)CC2CC[NH+](C[C@@H](C)O)CC2)c1 ZINC000271162486 208676025 /nfs/dbraw/zinc/67/60/25/208676025.db2.gz LUHZMALKUBAGFQ-OAHLLOKOSA-N 2 0 308.441 2.659 20 0 DFADRP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+]C[C@H]1CCN(c2ccccc2F)C1 ZINC000423141490 296383924 /nfs/dbraw/zinc/38/39/24/296383924.db2.gz QJEMQBLLGVTAMM-OIISXLGYSA-N 2 0 305.441 2.902 20 0 DFADRP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]C[C@@H]1CCN(c2ccccc2F)C1 ZINC000423140987 296383940 /nfs/dbraw/zinc/38/39/40/296383940.db2.gz NLBSPXATIPQEDZ-YQQAZPJKSA-N 2 0 305.441 2.759 20 0 DFADRP C[C@@H]([NH2+]C[C@@H]1CCN(c2ccccc2F)C1)[C@H]1CCCC[NH2+]1 ZINC000423141529 296383943 /nfs/dbraw/zinc/38/39/43/296383943.db2.gz QNDWSPFOMCIQQP-HLLBOEOZSA-N 2 0 305.441 2.772 20 0 DFADRP COc1ccc(CC[NH2+][C@H](C)CCC[NH3+])c(Cl)c1OC ZINC000423139899 296383529 /nfs/dbraw/zinc/38/35/29/296383529.db2.gz WUKARSRHURFJMI-LLVKDONJSA-N 2 0 300.830 2.617 20 0 DFADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]C[C@@H]1CCN(c2ccccc2F)C1 ZINC000423142113 296383719 /nfs/dbraw/zinc/38/37/19/296383719.db2.gz UASNZPOQWPLOPB-HLLBOEOZSA-N 2 0 305.441 2.630 20 0 DFADRP CSc1ccc([C@H](C[NH2+][C@H]2CCC[C@H]2C[NH3+])N(C)C)cc1 ZINC000423144014 296384390 /nfs/dbraw/zinc/38/43/90/296384390.db2.gz FXCGRYHEYWIXPB-XIRDDKMYSA-N 2 0 307.507 2.728 20 0 DFADRP CC[C@H]([NH2+][C@@H]1CCO[C@@H](c2ccncc2)C1)[C@H]1CCCC[NH2+]1 ZINC000423146587 296384530 /nfs/dbraw/zinc/38/45/30/296384530.db2.gz AXRPRCXASSIRQR-XMTFNYHQSA-N 2 0 303.450 2.812 20 0 DFADRP CSc1ccc([C@H](CN[C@@H](C)[C@H]2CCC[NH2+]2)[NH+](C)C)cc1 ZINC000423146754 296384716 /nfs/dbraw/zinc/38/47/16/296384716.db2.gz QHJQEUMJFNTATF-XKQJLSEDSA-N 2 0 307.507 2.741 20 0 DFADRP CO[C@@H]([C@H](C)[NH2+][C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)C1CC1 ZINC000423149424 296385374 /nfs/dbraw/zinc/38/53/74/296385374.db2.gz AOOFFUDFJRMNBK-FDARSICLSA-N 2 0 316.445 2.645 20 0 DFADRP CSCC1CCC([NH2+][C@@H]2CCOC[C@@H]2[C@H]2CCC[NH2+]2)CC1 ZINC000423156211 296386171 /nfs/dbraw/zinc/38/61/71/296386171.db2.gz KNGAHEYSHRQDQT-SWHNLWLKSA-N 2 0 312.523 2.655 20 0 DFADRP C[C@H]([NH2+][C@@H](CCO)c1cccc(C(F)(F)F)c1)[C@H]1CC[NH2+]C1 ZINC000423159383 296386436 /nfs/dbraw/zinc/38/64/36/296386436.db2.gz OYTCRNMITJGNHE-WHOFXGATSA-N 2 0 316.367 2.717 20 0 DFADRP C[C@H]([NH3+])C[C@H](C)[NH2+][C@H](CCO)c1cccc(C(F)(F)F)c1 ZINC000423161243 296386537 /nfs/dbraw/zinc/38/65/37/296386537.db2.gz RUQWAXRZJQGNMA-COPLHBTASA-N 2 0 304.356 2.844 20 0 DFADRP C[C@@H]1CCC[N@H+](CC(=O)NC[C@H](c2ccccc2)[NH+](C)C)[C@@H]1C ZINC000249277182 296387456 /nfs/dbraw/zinc/38/74/56/296387456.db2.gz DMEQJDDXWOIUEM-JFIYKMOQSA-N 2 0 317.477 2.526 20 0 DFADRP CCOC(=O)C1([C@H](C)[NH2+]CC2(C3CCC3)CCC2)CC[NH2+]CC1 ZINC000423170923 296387609 /nfs/dbraw/zinc/38/76/09/296387609.db2.gz YZNSMEYQLGZZDU-HNNXBMFYSA-N 2 0 322.493 2.868 20 0 DFADRP CC(C)(C)c1ccncc1C[NH2+][C@@H]1CCOC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000423173074 296388013 /nfs/dbraw/zinc/38/80/13/296388013.db2.gz WURCEBHZQZJBJC-KBAYOESNSA-N 2 0 317.477 2.626 20 0 DFADRP CC[C@H]([NH2+]CCCN1CC[NH2+]CC1)c1ccc(Cl)s1 ZINC000423175138 296388194 /nfs/dbraw/zinc/38/81/94/296388194.db2.gz DDUOXDHXIWDYTR-LBPRGKRZSA-N 2 0 301.887 2.738 20 0 DFADRP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+]C[C@H](CO)c1ccc(F)cc1 ZINC000423177284 296388494 /nfs/dbraw/zinc/38/84/94/296388494.db2.gz GYQSNZMPYZLWES-QGPMSJSTSA-N 2 0 308.441 2.802 20 0 DFADRP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+]C[C@@H](CO)c1ccc(F)cc1 ZINC000423177285 296388604 /nfs/dbraw/zinc/38/86/04/296388604.db2.gz GYQSNZMPYZLWES-UWWQBHOKSA-N 2 0 308.441 2.802 20 0 DFADRP C[C@@H](COc1ccc2cc(Br)ccc2c1)NCC[NH3+] ZINC000423182984 296389274 /nfs/dbraw/zinc/38/92/74/296389274.db2.gz MFNCWMLBEGPIER-NSHDSACASA-N 2 0 323.234 2.918 20 0 DFADRP Cc1c2ccccc2oc1[C@H](C)[NH2+]CCCN1CC[NH2+]CC1 ZINC000423184974 296389718 /nfs/dbraw/zinc/38/97/18/296389718.db2.gz UHZUASYMPDZWGM-HNNXBMFYSA-N 2 0 301.434 2.687 20 0 DFADRP CC[C@H](C[NH2+][C@@H]1CCOC[C@H]1[C@@H]1CCC[NH2+]1)CC(F)(F)F ZINC000423187482 296390181 /nfs/dbraw/zinc/39/01/81/296390181.db2.gz PQZSXZJPHKICDK-XDQVBPFNSA-N 2 0 308.388 2.712 20 0 DFADRP C[C@H]([NH2+]CCCN1CC[NH2+]CC1)c1cc2ccccc2s1 ZINC000423192552 296390426 /nfs/dbraw/zinc/39/04/26/296390426.db2.gz VWIVECVYTZBHMV-AWEZNQCLSA-N 2 0 303.475 2.847 20 0 DFADRP C[C@@H](Cc1cn(C)c2ccc(F)cc12)[NH2+][C@H]1CCC[NH2+]CC1 ZINC000423191393 296390509 /nfs/dbraw/zinc/39/05/09/296390509.db2.gz STJFERNWGPXSFF-BBRMVZONSA-N 2 0 303.425 2.980 20 0 DFADRP C[C@@H]([NH2+]CCC[NH3+])c1ccc(OC[C@H]2CCCCO2)c(F)c1 ZINC000423197481 296391679 /nfs/dbraw/zinc/39/16/79/296391679.db2.gz ZOPFZHDOBGHQQP-UKRRQHHQSA-N 2 0 310.413 2.773 20 0 DFADRP C[C@@H]([NH2+]CCN1CC[NH2+]CC1)c1ccc(Cl)c(Cl)c1 ZINC000423200129 296391835 /nfs/dbraw/zinc/39/18/35/296391835.db2.gz DKFDTPPVVPPLMT-LLVKDONJSA-N 2 0 302.249 2.549 20 0 DFADRP C[C@@H]([NH2+]CC1([NH3+])CCCCCC1)c1ccc(-n2cncn2)cc1 ZINC000423204561 296392149 /nfs/dbraw/zinc/39/21/49/296392149.db2.gz USTNNGVVWOBYSJ-OAHLLOKOSA-N 2 0 313.449 2.970 20 0 DFADRP C[C@H]([NH2+]CCN1CC[NH2+]CC1)c1ccc(-c2ccccc2)cc1 ZINC000423203435 296392332 /nfs/dbraw/zinc/39/23/32/296392332.db2.gz MRNHSJAPZPAWCQ-KRWDZBQOSA-N 2 0 309.457 2.909 20 0 DFADRP Cc1nn(C)c2sc([C@H](C)[NH2+][C@@H](C)[C@H]3CCC[NH2+]C3)cc12 ZINC000423211434 296392795 /nfs/dbraw/zinc/39/27/95/296392795.db2.gz HJUFGJJMVFORAP-DRZSPHRISA-N 2 0 306.479 2.982 20 0 DFADRP c1c2c(nn1-c1ccccc1)CCC[C@@H]2[NH2+]C[C@@H]1CCC[NH2+]C1 ZINC000423212452 296392964 /nfs/dbraw/zinc/39/29/64/296392964.db2.gz LYBFOFUVQGHUDE-QAPCUYQASA-N 2 0 310.445 2.839 20 0 DFADRP Clc1cccc([C@H]2CCC[C@H]([NH2+]CCN3CC[NH2+]CC3)C2)c1 ZINC000423201739 296392019 /nfs/dbraw/zinc/39/20/19/296392019.db2.gz JGAMZPOQSVJHQM-WMZOPIPTSA-N 2 0 321.896 2.861 20 0 DFADRP COc1cc(C)c(C[C@H](C)[NH2+][C@H](C)[C@H]2CCC[NH2+]C2)cc1OC ZINC000423205194 296392126 /nfs/dbraw/zinc/39/21/26/296392126.db2.gz BCUDXUILJVBNGU-XHSDSOJGSA-N 2 0 320.477 2.921 20 0 DFADRP C[C@H](N[C@@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1)[C@@H]1CCC[NH2+]C1 ZINC000423221666 296394034 /nfs/dbraw/zinc/39/40/34/296394034.db2.gz XNKLBJSJMYJUCO-JCHJZTRSSA-N 2 0 301.478 2.800 20 0 DFADRP c1c2c(nn1-c1ccccc1)CCC[C@@H]2[NH2+]C[C@H]1CCC[NH2+]C1 ZINC000423212453 296392990 /nfs/dbraw/zinc/39/29/90/296392990.db2.gz LYBFOFUVQGHUDE-YJBOKZPZSA-N 2 0 310.445 2.839 20 0 DFADRP c1ccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@@H](NC[C@@H]2CCC[NH2+]C2)C3)cc1 ZINC000423214726 296393014 /nfs/dbraw/zinc/39/30/14/296393014.db2.gz PJOHVOZFSZCNCO-YSTOQKLRSA-N 2 0 313.489 2.771 20 0 DFADRP Brc1ccc2c(c1)CC[C@H]([NH2+]C[C@@H]1CCC[NH2+]C1)C2 ZINC000423217124 296393501 /nfs/dbraw/zinc/39/35/01/296393501.db2.gz SXYADIUNRLGPPD-WBMJQRKESA-N 2 0 323.278 2.896 20 0 DFADRP COC(=O)c1coc(CN2CCC[C@H]([NH+]3CCCC3)CC2)c1 ZINC000157259903 197174442 /nfs/dbraw/zinc/17/44/42/197174442.db2.gz BUPAJMLCHYAILE-HNNXBMFYSA-N 2 0 306.406 2.517 20 0 DFADRP COc1ccc([C@H](C)[NH2+][C@H](C)[C@@H]2CCC[NH2+]C2)cc1NC(C)=O ZINC000423220525 296393888 /nfs/dbraw/zinc/39/38/88/296393888.db2.gz VLLGUGAADUHXQK-WOSRLPQWSA-N 2 0 319.449 2.692 20 0 DFADRP CC[NH2+]CCN[C@@H]1CCCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000423235935 296395564 /nfs/dbraw/zinc/39/55/64/296395564.db2.gz NSCPEGJAEPHOGG-XUVXKRRUSA-N 2 0 315.505 2.876 20 0 DFADRP COc1ccc(C[C@@H](C)[NH2+]CC[C@@H]2CC[NH2+]C2)c(C)c1OC ZINC000423238435 296395890 /nfs/dbraw/zinc/39/58/90/296395890.db2.gz AIBIENNHRJDTOM-HIFRSBDPSA-N 2 0 306.450 2.532 20 0 DFADRP C[C@@H]([NH2+]CC[C@@H]1CC[NH2+]C1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000423249012 296396779 /nfs/dbraw/zinc/39/67/79/296396779.db2.gz OCCFXJUJCZDOAY-KGLIPLIRSA-N 2 0 316.449 2.621 20 0 DFADRP C[C@H]([NH2+]CC[C@H]1CC[NH2+]C1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000423249014 296396885 /nfs/dbraw/zinc/39/68/85/296396885.db2.gz OCCFXJUJCZDOAY-UONOGXRCSA-N 2 0 316.449 2.621 20 0 DFADRP c1c2c(cc3c1OCCC[C@@H]3[NH2+]CC[C@H]1CC[NH2+]C1)CCC2 ZINC000423251016 296396904 /nfs/dbraw/zinc/39/69/04/296396904.db2.gz RKKKAQYWNCJFAB-KDOFPFPSSA-N 2 0 300.446 2.978 20 0 DFADRP Cc1c([C@H](C)[NH2+]CC[C@H]2CCC[NH2+]C2)nnn1-c1ccccc1 ZINC000423264767 296398468 /nfs/dbraw/zinc/39/84/68/296398468.db2.gz YYVGLWYKDNPTGV-GOEBONIOSA-N 2 0 313.449 2.616 20 0 DFADRP COc1cc(NC(C)=O)ccc1[C@H](C)[NH2+]CC[C@@H]1CCC[NH2+]C1 ZINC000423256048 296397292 /nfs/dbraw/zinc/39/72/92/296397292.db2.gz DGHBHOIJXDMSOI-ZFWWWQNUSA-N 2 0 319.449 2.694 20 0 DFADRP CC[C@H]([NH2+]CC[C@H]1CCC[NH2+]C1)c1ccc2c(c1)OCCO2 ZINC000423255643 296397358 /nfs/dbraw/zinc/39/73/58/296397358.db2.gz COUKGRKIOGIZFW-ZBFHGGJFSA-N 2 0 304.434 2.888 20 0 DFADRP C[C@@H]([NH2+]CC[C@@H]1CCC[NH2+]C1)c1cccc(N2CCCC2=O)c1 ZINC000423257069 296397456 /nfs/dbraw/zinc/39/74/56/296397456.db2.gz HJZVKVMVTADZAU-CVEARBPZSA-N 2 0 315.461 2.854 20 0 DFADRP COc1cccc(C[C@@H]([NH2+]CC[C@@H]2CCC[NH2+]C2)C2CC2)c1 ZINC000423259765 296397587 /nfs/dbraw/zinc/39/75/87/296397587.db2.gz OUMMMIQUNGZQOK-HNAYVOBHSA-N 2 0 302.462 2.996 20 0 DFADRP CC(C)C[C@H](C[NH3+])N[C@@H](C)c1cccc(OCC[NH+](C)C)c1 ZINC000423258147 296397711 /nfs/dbraw/zinc/39/77/11/296397711.db2.gz BDNKARQKZKCFKC-DOTOQJQBSA-N 2 0 307.482 2.651 20 0 DFADRP Fc1ccc(N2CCC([NH2+]CC[C@@H]3CCC[NH2+]C3)CC2)c(F)c1 ZINC000423259602 296397745 /nfs/dbraw/zinc/39/77/45/296397745.db2.gz OMTAHQWMTXPWAR-AWEZNQCLSA-N 2 0 323.431 2.913 20 0 DFADRP C[C@H]1CC[C@H](NC2CC[NH+](CCc3ccc(F)cc3)CC2)C[NH2+]1 ZINC000629395733 399593052 /nfs/dbraw/zinc/59/30/52/399593052.db2.gz QLPXMIJYFHFRSH-KXBFYZLASA-N 2 0 319.468 2.563 20 0 DFADRP C[NH2+]C[C@H](C)C[NH2+][C@@H]1CCc2cc(Br)ccc2C1 ZINC000423270708 296399183 /nfs/dbraw/zinc/39/91/83/296399183.db2.gz IDHYYVFDQPDMEE-XHDPSFHLSA-N 2 0 311.267 2.752 20 0 DFADRP C[C@@H](CCC1CCCCC1)[NH2+]Cc1cn([C@H]2CC[NH2+]C2)nn1 ZINC000629406488 399594902 /nfs/dbraw/zinc/59/49/02/399594902.db2.gz WQTMOKNGDOXCGL-YOEHRIQHSA-N 2 0 305.470 2.651 20 0 DFADRP COc1cc([C@H](C)[NH2+][C@@H]2CCCC[C@@H]2C[NH3+])cc(OC)c1OC ZINC000423274221 296399489 /nfs/dbraw/zinc/39/94/89/296399489.db2.gz LRRIEKKQKQJCPQ-GZBFAFLISA-N 2 0 322.449 2.881 20 0 DFADRP CC(C)C[C@@H](C[NH3+])N[C@@H](C)c1cccc(N2CCCC2=O)c1 ZINC000423267904 296398504 /nfs/dbraw/zinc/39/85/04/296398504.db2.gz UDGAPOUTWBZHCF-HOCLYGCPSA-N 2 0 303.450 2.837 20 0 DFADRP CC(=O)NCCc1ccc([C@H](C)[NH2+][C@H]2CCCC[C@H]2C[NH3+])cc1 ZINC000423265141 296398518 /nfs/dbraw/zinc/39/85/18/296398518.db2.gz AUNVJQSTGNFMAV-JVPBZIDWSA-N 2 0 317.477 2.533 20 0 DFADRP CC(C)C[C@H](C[NH3+])N[C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]12 ZINC000423269681 296398764 /nfs/dbraw/zinc/39/87/64/296398764.db2.gz WDZWZPLBOAOYBV-YSTOQKLRSA-N 2 0 315.505 2.860 20 0 DFADRP C[NH2+]C[C@H](C)C[NH2+][C@H](Cc1ccncc1)c1ccc(OC)cc1 ZINC000423269128 296398851 /nfs/dbraw/zinc/39/88/51/296398851.db2.gz GQOKRIKBVAEDSK-HNAYVOBHSA-N 2 0 313.445 2.819 20 0 DFADRP COc1ccc([C@H](C)[C@H](C)[NH2+][C@H]2CCC[C@H]2C[NH3+])cc1OC ZINC000423278314 296400117 /nfs/dbraw/zinc/40/01/17/296400117.db2.gz QPFVKWYJZFQENV-VRKREXBASA-N 2 0 306.450 2.913 20 0 DFADRP CCc1ccc(C[NH+]2CCC(OCC[NH+](CC)CC)CC2)cn1 ZINC000347849901 285206598 /nfs/dbraw/zinc/20/65/98/285206598.db2.gz KDFLEVJCPFROGI-UHFFFAOYSA-N 2 0 319.493 2.967 20 0 DFADRP C[C@@H]([NH2+]CC1C[NH2+]C1)[C@H](C)Oc1ccc(Cl)cc1Cl ZINC000423300959 296402318 /nfs/dbraw/zinc/40/23/18/296402318.db2.gz GGGLVUMPMAPZRB-ZJUUUORDSA-N 2 0 303.233 2.958 20 0 DFADRP C[C@H]([NH2+]C[C@@]1(C)CCC[NH2+]C1)c1cccc(N2CCCC2=O)c1 ZINC000423320025 296403991 /nfs/dbraw/zinc/40/39/91/296403991.db2.gz DYJKKVGOXKKUHX-KXBFYZLASA-N 2 0 315.461 2.854 20 0 DFADRP C[C@H](Cc1ccc(F)cc1Br)[NH2+]CCCC[NH3+] ZINC000423327425 296404681 /nfs/dbraw/zinc/40/46/81/296404681.db2.gz NCUKSYIFKJQKEG-SNVBAGLBSA-N 2 0 303.219 2.848 20 0 DFADRP Cc1c([C@@H](C)[NH2+]CC2(C)CC[NH2+]CC2)nnn1-c1ccccc1 ZINC000423328236 296404760 /nfs/dbraw/zinc/40/47/60/296404760.db2.gz LWTXFCKSDXUFQY-CQSZACIVSA-N 2 0 313.449 2.616 20 0 DFADRP c1c2c(cc3c1OCCC[C@@H]3[NH2+]C[C@H]1CC[NH2+]C1)CCCC2 ZINC000423330777 296405366 /nfs/dbraw/zinc/40/53/66/296405366.db2.gz GGZMPTHWMOHEEZ-KSSFIOAISA-N 2 0 300.446 2.978 20 0 DFADRP COc1ccc(CCC[NH2+][C@H]2CC[N@H+](C)[C@@H](C)C2)cc1OC ZINC000155193285 197031541 /nfs/dbraw/zinc/03/15/41/197031541.db2.gz ICFKLQWHVYHGIG-HOCLYGCPSA-N 2 0 306.450 2.709 20 0 DFADRP Clc1ccccc1C[C@@H]([NH2+]CC1=CC[NH2+]CC1)[C@H]1CCCO1 ZINC000423360709 296408255 /nfs/dbraw/zinc/40/82/55/296408255.db2.gz WJEBQJZGMPQKSG-QZTJIDSGSA-N 2 0 320.864 2.939 20 0 DFADRP C[C@@H](CN1CC[NH+](C)CC1)[NH2+][C@@H](C)c1ccc(F)c(Cl)c1 ZINC000155029165 197014916 /nfs/dbraw/zinc/01/49/16/197014916.db2.gz ICTMRJPJBAFFNM-STQMWFEESA-N 2 0 313.848 2.766 20 0 DFADRP CO[C@@H]1C[C@H](C[NH+]2CCCC2)N(c2cc[nH+]c(C)c2Cl)C1 ZINC000347895853 285230145 /nfs/dbraw/zinc/23/01/45/285230145.db2.gz GKNCPXKKSALVSL-ZIAGYGMSSA-N 2 0 309.841 2.733 20 0 DFADRP CO[C@@H]1C[C@H](C[NH+]2CCCC2)N(c2cc[nH+]c3ccccc32)C1 ZINC000347895714 285230167 /nfs/dbraw/zinc/23/01/67/285230167.db2.gz FWLAGTBJBMLMCK-HZPDHXFCSA-N 2 0 311.429 2.924 20 0 DFADRP CO[C@H]1C[C@H](C[NH+]2CCCC2)N(c2cc[nH+]c3ccccc32)C1 ZINC000347895710 285230178 /nfs/dbraw/zinc/23/01/78/285230178.db2.gz FWLAGTBJBMLMCK-CVEARBPZSA-N 2 0 311.429 2.924 20 0 DFADRP OC(C[NH+]1CCC[C@@H](C2CC2)C1)C[N@@H+]1CCC[C@@H](C2CC2)C1 ZINC000344052858 285231452 /nfs/dbraw/zinc/23/14/52/285231452.db2.gz INCLPPQNQYUYRX-QZTJIDSGSA-N 2 0 306.494 2.591 20 0 DFADRP C[C@@H]1C[NH2+]CC[C@H]1[NH2+][C@@H]1CCCOc2cc3c(cc21)CCC3 ZINC000423385734 296411402 /nfs/dbraw/zinc/41/14/02/296411402.db2.gz GYZCOBTVPUXXMB-FSPWUOQZSA-N 2 0 300.446 2.977 20 0 DFADRP C[C@H]([NH2+][C@H]1CCC[C@H]([NH3+])C1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000423384341 296410858 /nfs/dbraw/zinc/41/08/58/296410858.db2.gz KYODCTODYIKHLR-JDFRZJQESA-N 2 0 316.449 2.891 20 0 DFADRP COCC1(C[NH2+][C@@H](C)c2ccc(OC)c(F)c2)CC[NH2+]CC1 ZINC000423382031 296411074 /nfs/dbraw/zinc/41/10/74/296411074.db2.gz GBYRGUGQWQYNQN-ZDUSSCGKSA-N 2 0 310.413 2.501 20 0 DFADRP CCC[NH+](CCC)CCCC(=O)N(C)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000347905047 285235077 /nfs/dbraw/zinc/23/50/77/285235077.db2.gz YQZBHOSWGGOLCU-KRWDZBQOSA-N 2 0 309.498 2.584 20 0 DFADRP CC(C)C[C@@H](C)C[NH2+]CCCN1CCN(c2cc[nH+]cc2)CC1 ZINC000347905930 285235630 /nfs/dbraw/zinc/23/56/30/285235630.db2.gz IPZLHNWGQIISOZ-GOSISDBHSA-N 2 0 318.509 2.866 20 0 DFADRP CCCCOc1ccc([C@H](C)[NH2+]CCN2CC[C@@H](O)C2)cc1 ZINC000624231053 399606942 /nfs/dbraw/zinc/60/69/42/399606942.db2.gz OJZPKNREYVQMSM-DOTOQJQBSA-N 2 0 306.450 2.583 20 0 DFADRP CC(C)[C@H](C(=O)Nc1cccc(OCCC[NH+](C)C)c1)[C@H](C)[NH3+] ZINC000423407526 296413541 /nfs/dbraw/zinc/41/35/41/296413541.db2.gz MMWXQWMXQREMRL-YOEHRIQHSA-N 2 0 321.465 2.575 20 0 DFADRP COCC1(C[NH2+][C@H](C)c2cnn(C3CCCC3)c2)CC[NH2+]CC1 ZINC000423408020 296413556 /nfs/dbraw/zinc/41/35/56/296413556.db2.gz NWWADHSCZMWKIZ-OAHLLOKOSA-N 2 0 320.481 2.665 20 0 DFADRP COCC1(C[NH2+][C@@H](C)[C@@H]2C[C@H]2c2ccccc2)CC[NH2+]CC1 ZINC000423403027 296412767 /nfs/dbraw/zinc/41/27/67/296412767.db2.gz HMKAVXHHOSNUIZ-SZMVWBNQSA-N 2 0 302.462 2.784 20 0 DFADRP OC1(C[NH2+]C2CCN(c3cc[nH+]cc3)CC2)CCCCCC1 ZINC000298394738 285239210 /nfs/dbraw/zinc/23/92/10/285239210.db2.gz LOPPDEQNWGANPH-UHFFFAOYSA-N 2 0 303.450 2.725 20 0 DFADRP COCC1(C[NH2+][C@H]2CC[C@H](c3ccccc3)C2)CC[NH2+]CC1 ZINC000423411427 296414030 /nfs/dbraw/zinc/41/40/30/296414030.db2.gz UMZGJUMRLNQVOM-ROUUACIJSA-N 2 0 302.462 2.929 20 0 DFADRP COCC1(C[NH2+][C@H]2CCc3c2c(F)ccc3F)CC[NH2+]CC1 ZINC000423413170 296414612 /nfs/dbraw/zinc/41/46/12/296414612.db2.gz YLOHBFPNSYFAKH-HNNXBMFYSA-N 2 0 310.388 2.558 20 0 DFADRP O[C@@H]1C[NH2+]C[C@@H]1C[NH2+][C@@H]1CCC[C@@H](c2ccc(Cl)cc2)C1 ZINC000423413899 296414618 /nfs/dbraw/zinc/41/46/18/296414618.db2.gz BFJWZKXRAABQHE-MUIFIZLQSA-N 2 0 308.853 2.536 20 0 DFADRP Cc1cc(C[N@@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@@H](C)C2)cs1 ZINC000449036596 297395214 /nfs/dbraw/zinc/39/52/14/297395214.db2.gz KOLJRMBETLQFMY-YOEHRIQHSA-N 2 0 307.507 2.514 20 0 DFADRP CCCC[C@H]([NH2+]CC(=O)NC1CC[NH+](C2CC2)CC1)C1CCC1 ZINC000347918894 285245121 /nfs/dbraw/zinc/24/51/21/285245121.db2.gz JELCHIIPOFARGF-SFHVURJKSA-N 2 0 321.509 2.678 20 0 DFADRP c1ccc([C@@H]([NH2+][C@@H]2C[C@H]2C2CC[NH2+]CC2)c2ccncn2)cc1 ZINC000423426998 296415800 /nfs/dbraw/zinc/41/58/00/296415800.db2.gz FLAVSMYOVQQGJA-QXAKKESOSA-N 2 0 308.429 2.544 20 0 DFADRP C[C@H](CCCO)C[NH2+][C@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000294810375 224236408 /nfs/dbraw/zinc/23/64/08/224236408.db2.gz NUDCYTFEKJNZNO-ZHALLVOQSA-N 2 0 304.478 2.895 20 0 DFADRP C[C@H]([NH2+]C[C@H]1CCC[C@@H]([NH3+])C1)c1ccc(C(=O)N(C)C)cc1 ZINC000423459978 296418368 /nfs/dbraw/zinc/41/83/68/296418368.db2.gz APKCUADIFDPBOT-GRDNDAEWSA-N 2 0 303.450 2.557 20 0 DFADRP O=C1CC[C@H]([NH2+]CCC[C@@H]2CCC[NH2+]2)c2cc(F)ccc2N1 ZINC000423466461 296418834 /nfs/dbraw/zinc/41/88/34/296418834.db2.gz AOXISZXJPZTHOC-ZFWWWQNUSA-N 2 0 305.397 2.721 20 0 DFADRP O=C1CC[C@H]([NH2+]CCC[C@H]2CCC[NH2+]2)c2cc(F)ccc2N1 ZINC000423466458 296418879 /nfs/dbraw/zinc/41/88/79/296418879.db2.gz AOXISZXJPZTHOC-HIFRSBDPSA-N 2 0 305.397 2.721 20 0 DFADRP [NH3+][C@@H](CC1CCCCC1)C(=O)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000423448655 296417652 /nfs/dbraw/zinc/41/76/52/296417652.db2.gz VGYZPPURGJFAEO-ROUUACIJSA-N 2 0 321.509 2.619 20 0 DFADRP COc1cc([C@H](C)[NH2+]C[C@H]2CCC[C@@H]([NH3+])C2)cc(OC)c1OC ZINC000423453244 296417829 /nfs/dbraw/zinc/41/78/29/296417829.db2.gz AKZMZDVZMFKWDY-KCQAQPDRSA-N 2 0 322.449 2.881 20 0 DFADRP Cc1c([C@H](C)[NH2+][C@@H](C)CCC[NH3+])nnn1-c1ccc(C)cc1 ZINC000423454845 296417933 /nfs/dbraw/zinc/41/79/33/296417933.db2.gz MBORBHNJVJVKLZ-KBPBESRZSA-N 2 0 301.438 2.662 20 0 DFADRP COc1ccc([C@H](C)[NH2+]C[C@H]2CCC[C@@H]([NH3+])C2)cc1NC(C)=O ZINC000423454668 296417940 /nfs/dbraw/zinc/41/79/40/296417940.db2.gz CZUDWZONMSHPOQ-DUVNUKRYSA-N 2 0 319.449 2.822 20 0 DFADRP COc1cc2c(cc1OC)[C@H]([NH2+]C[C@@H]1CCC[C@@H]([NH3+])C1)CC2 ZINC000423475559 296419839 /nfs/dbraw/zinc/41/98/39/296419839.db2.gz QAFXSROSFOEBDT-XNRPHZJLSA-N 2 0 304.434 2.798 20 0 DFADRP COc1cc2c(cc1OC)[C@H]([NH2+]C[C@H]1CCC[C@@H]([NH3+])C1)CC2 ZINC000423475558 296419847 /nfs/dbraw/zinc/41/98/47/296419847.db2.gz QAFXSROSFOEBDT-JGGQBBKZSA-N 2 0 304.434 2.798 20 0 DFADRP COc1ccc([C@H](NCCC[C@@H]2CCC[NH2+]2)[C@@H]2CCC[NH2+]2)cc1 ZINC000423473050 296419294 /nfs/dbraw/zinc/41/92/94/296419294.db2.gz GKISXCLPQDBXBN-WDSOQIARSA-N 2 0 317.477 2.610 20 0 DFADRP Cc1cccc2c1[C@@H](C)C[C@H]2[NH2+]C[C@@H](C)N1CC[NH+](C)CC1 ZINC000153618010 196893151 /nfs/dbraw/zinc/89/31/51/196893151.db2.gz UZLQLJNYXVHKTI-LZLYRXPVSA-N 2 0 301.478 2.769 20 0 DFADRP CC(C)[C@H]([NH2+][C@@H]1CC[C@@H](C[NH3+])C1)c1ccc2[nH]c(=O)oc2c1 ZINC000423493047 296421907 /nfs/dbraw/zinc/42/19/07/296421907.db2.gz PJDDODVRCNKZBW-KFNAQCHYSA-N 2 0 303.406 2.948 20 0 DFADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]C[C@]2(C)CCCS2)[C@H](C)C1 ZINC000120426973 195164304 /nfs/dbraw/zinc/16/43/04/195164304.db2.gz XPDSCGZYJTZASW-IKGGRYGDSA-N 2 0 314.539 2.999 20 0 DFADRP c1ccc2c(c1)CCSC[C@@H]2[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000423539511 296427822 /nfs/dbraw/zinc/42/78/22/296427822.db2.gz IMHAHINOTJTVJL-CUSZFKRNSA-N 2 0 302.487 2.995 20 0 DFADRP COc1ccc([C@H](C)[C@@H](C)[NH2+]CCC[NH2+]C2CC2)cc1OC ZINC000423542437 296428033 /nfs/dbraw/zinc/42/80/33/296428033.db2.gz BAERVWJUHASBNE-ZIAGYGMSSA-N 2 0 306.450 2.928 20 0 DFADRP Cc1nn(C)c2sc([C@H](C)[NH2+][C@@H]3CC[C@H]4C[NH2+]C[C@H]4C3)cc12 ZINC000423541010 296428132 /nfs/dbraw/zinc/42/81/32/296428132.db2.gz KKTFDPZYUNNKPI-IGQOVBAYSA-N 2 0 318.490 2.982 20 0 DFADRP Cc1ccc(NC(=O)C[C@H](C)[NH2+]CCC2=CC[NH2+]CC2)c(C)c1 ZINC000423545026 296428510 /nfs/dbraw/zinc/42/85/10/296428510.db2.gz DMLBSPHRBVFUHT-INIZCTEOSA-N 2 0 315.461 2.920 20 0 DFADRP C[C@H]([NH2+]Cc1ccc[nH]c1=O)c1cccc(OCC[NH+](C)C)c1 ZINC000624257717 399618013 /nfs/dbraw/zinc/61/80/13/399618013.db2.gz NWKHUGGNRNOALH-AWEZNQCLSA-N 2 0 315.417 2.578 20 0 DFADRP C[C@@H](CC(=O)Nc1cccc(Cl)c1)[NH2+]CCC1=CC[NH2+]CC1 ZINC000423570763 296430126 /nfs/dbraw/zinc/43/01/26/296430126.db2.gz XCGVUZFOEVNZNH-ZDUSSCGKSA-N 2 0 321.852 2.957 20 0 DFADRP O[C@@H](C[NH+]1CCC(C[NH+]2CCCC2)CC1)c1ccc(F)cc1F ZINC000051907769 285300495 /nfs/dbraw/zinc/30/04/95/285300495.db2.gz MLPWYDCFGYVQLV-SFHVURJKSA-N 2 0 324.415 2.806 20 0 DFADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)Cc1cccnc1Cl ZINC000289519412 221037438 /nfs/dbraw/zinc/03/74/38/221037438.db2.gz VEIKJHWFSIHLNP-INIZCTEOSA-N 2 0 324.900 2.583 20 0 DFADRP C[C@@H](CCc1cccc(F)c1)[N@H+](C)CCCN1CC[NH+](C)CC1 ZINC000289525803 221039732 /nfs/dbraw/zinc/03/97/32/221039732.db2.gz VTICDLZEGQZNMH-KRWDZBQOSA-N 2 0 321.484 2.716 20 0 DFADRP [NH3+][C@@H]1CCC[C@@H]([NH2+][C@@H]2Cc3ccccc3O[C@H]2C(F)(F)F)C1 ZINC000629513085 399631032 /nfs/dbraw/zinc/63/10/32/399631032.db2.gz HOXXJRHWICVEIR-RGCMKSIDSA-N 2 0 314.351 2.781 20 0 DFADRP CN(C)c1cccc(C[N@@H+]2CC[C@H](C[NH+](C)CC3CC3)C2)c1 ZINC000081632292 542498360 /nfs/dbraw/zinc/49/83/60/542498360.db2.gz LJXLOCJQIDCRDH-GOSISDBHSA-N 2 0 301.478 2.916 20 0 DFADRP COc1ccc2c(c1)C(C)(C)C[C@H]2[NH2+]CC1([NH3+])CCOCC1 ZINC000629523436 399635127 /nfs/dbraw/zinc/63/51/27/399635127.db2.gz GLXKMPXRKSENFZ-MRXNPFEDSA-N 2 0 304.434 2.515 20 0 DFADRP C[C@H]([NH3+])[C@H]1COCC[C@@H]1[NH2+]Cc1c(Cl)oc2ccccc21 ZINC000629522980 399635222 /nfs/dbraw/zinc/63/52/22/399635222.db2.gz JGJCMCIWMRPKNA-GDLCADMTSA-N 2 0 308.809 2.928 20 0 DFADRP C[NH2+]CCOCC[NH2+][C@@H](C)c1cc(Cl)ccc1OC(F)F ZINC000629529166 399636946 /nfs/dbraw/zinc/63/69/46/399636946.db2.gz UCVMVOUMKXXFMH-JTQLQIEISA-N 2 0 322.783 2.828 20 0 DFADRP C[NH2+]CCOCC[NH2+][C@H]1CCC[C@H]1Cc1ccc(Cl)cc1 ZINC000629530945 399637395 /nfs/dbraw/zinc/63/73/95/399637395.db2.gz VVPDOIAGSVPJKL-RDJZCZTQSA-N 2 0 310.869 2.877 20 0 DFADRP C[C@@H]1CSC[C@H]1[NH2+]C[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000294946825 224330715 /nfs/dbraw/zinc/33/07/15/224330715.db2.gz FEHNVBDVAYPTKQ-BPQIPLTHSA-N 2 0 304.503 2.892 20 0 DFADRP C[C@@H]([NH2+]CCOCCC[NH3+])c1ccc(F)c(Br)c1 ZINC000629534963 399639066 /nfs/dbraw/zinc/63/90/66/399639066.db2.gz CBNPSERJXBZORA-SNVBAGLBSA-N 2 0 319.218 2.604 20 0 DFADRP [NH3+][C@@H]1CCCO[C@@H]1C1CC[NH+](Cc2cc(O)ccc2Cl)CC1 ZINC000629535321 399638801 /nfs/dbraw/zinc/63/88/01/399638801.db2.gz DCJZSYWPPHCQOG-IAGOWNOFSA-N 2 0 324.852 2.764 20 0 DFADRP C[C@@H]1CC[C@H](N[C@H]2CCC[N@H+](Cc3ccccc3)[C@@H]2C)C[NH2+]1 ZINC000629538422 399640100 /nfs/dbraw/zinc/64/01/00/399640100.db2.gz JOLSHYUCANASRN-FPAYPSAMSA-N 2 0 301.478 2.770 20 0 DFADRP C[C@@H](C[C@H]1CCCCC[NH2+]1)[NH2+][C@@H]1CCO[C@H]1c1ccc(=O)[nH]c1 ZINC000629538693 399640180 /nfs/dbraw/zinc/64/01/80/399640180.db2.gz OEXYMQFKENNPBN-ZDRJDWQYSA-N 2 0 319.449 2.518 20 0 DFADRP C[C@H]([NH2+]CCOCCC[NH3+])c1ccc(Br)cc1F ZINC000629540582 399640465 /nfs/dbraw/zinc/64/04/65/399640465.db2.gz WLFCHNKSUCLIMV-JTQLQIEISA-N 2 0 319.218 2.604 20 0 DFADRP C[C@@H]([NH2+]CCOCCC[NH3+])c1cc(Cl)ccc1OC(F)F ZINC000629537785 399640002 /nfs/dbraw/zinc/64/00/02/399640002.db2.gz KWCYLIMBRQZYBR-SNVBAGLBSA-N 2 0 322.783 2.957 20 0 DFADRP [NH3+]CCCOCC[NH2+][C@@H]1CCc2c1ccc(Cl)c2Cl ZINC000629541963 399641405 /nfs/dbraw/zinc/64/14/05/399641405.db2.gz VDDNWQONUSZRST-CYBMUJFWSA-N 2 0 303.233 2.936 20 0 DFADRP C[C@H](CC(=O)N(C)c1ccccc1)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000294948148 224332283 /nfs/dbraw/zinc/33/22/83/224332283.db2.gz HKZXDUISNHEZTP-DUZACMNTSA-N 2 0 315.461 2.643 20 0 DFADRP C[C@@H]1[NH2+]CC[C@H]1N[C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000629544937 399642370 /nfs/dbraw/zinc/64/23/70/399642370.db2.gz OEWJXLRZLGUCJI-ABHMUUKNSA-N 2 0 313.489 2.627 20 0 DFADRP C[C@H]([NH2+]CCOCCC[NH3+])c1cc(Br)cs1 ZINC000629541401 399641437 /nfs/dbraw/zinc/64/14/37/399641437.db2.gz ZQCNSNPBCJMZHV-VIFPVBQESA-N 2 0 307.257 2.527 20 0 DFADRP O[C@H](C[NH2+][C@@H]1CC[C@@H](c2cccc(F)c2)C1)C[NH+]1CCCC1 ZINC000629578931 399653576 /nfs/dbraw/zinc/65/35/76/399653576.db2.gz NUELLEBABQKYQU-KBAYOESNSA-N 2 0 306.425 2.508 20 0 DFADRP CSc1ccc(C[NH+]2CCC(CO[C@H]3CC[NH2+]C3)CC2)cc1 ZINC000629590108 399657177 /nfs/dbraw/zinc/65/71/77/399657177.db2.gz LYNGWFCMNPEBOA-KRWDZBQOSA-N 2 0 320.502 2.999 20 0 DFADRP C[C@@H]1CCCC[N@@H+]1CCC1CCN(C(=O)C2([NH+](C)C)CC2)CC1 ZINC000612471132 399659271 /nfs/dbraw/zinc/65/92/71/399659271.db2.gz UBJVEJPOEGDBCE-MRXNPFEDSA-N 2 0 321.509 2.584 20 0 DFADRP C[N@H+](CCC(=O)N[C@@H]1CC[NH+](C(C)(C)C)C1)C1CCCCC1 ZINC000617344214 399669183 /nfs/dbraw/zinc/66/91/83/399669183.db2.gz DDDGDVFUSQHURI-OAHLLOKOSA-N 2 0 309.498 2.630 20 0 DFADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]Cc1ccc2oc(=O)n(C)c2c1 ZINC000629550016 399645283 /nfs/dbraw/zinc/64/52/83/399645283.db2.gz WDWCFSRKRRHVDF-HIFRSBDPSA-N 2 0 317.433 2.532 20 0 DFADRP O[C@@H](C[NH2+]CC1(c2ccc(Cl)cc2)CCC1)C[NH+]1CCCC1 ZINC000629558590 399647444 /nfs/dbraw/zinc/64/74/44/399647444.db2.gz DBAVDSNRCINGFG-KRWDZBQOSA-N 2 0 322.880 2.808 20 0 DFADRP COc1ccc(CN2CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)cc1F ZINC000629568867 399652352 /nfs/dbraw/zinc/65/23/52/399652352.db2.gz VHDFQFZJWPWGPN-RYUDHWBXSA-N 2 0 320.330 2.793 20 0 DFADRP [NH3+]C[C@H]1CN(CCOc2ccccc2)CC[C@@H]1C(F)(F)F ZINC000629566158 399652363 /nfs/dbraw/zinc/65/23/63/399652363.db2.gz MKGWEZQTLNFYIL-JSGCOSHPSA-N 2 0 302.340 2.525 20 0 DFADRP Cc1cc(C[N@H+](C)CCOCC[NH3+])ccc1Oc1cccnc1 ZINC000629664126 399681956 /nfs/dbraw/zinc/68/19/56/399681956.db2.gz OQJSIRRMJIODJQ-UHFFFAOYSA-N 2 0 315.417 2.589 20 0 DFADRP COc1ccc(C[C@@H](C)C[N@@H+]2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)cc1F ZINC000629669890 399684066 /nfs/dbraw/zinc/68/40/66/399684066.db2.gz YVHCFIHYXVDAEG-ZMYBRWDISA-N 2 0 320.452 2.944 20 0 DFADRP C[NH2+]CCOc1ccc(-c2cccc(OCC[NH+](C)C)c2)cc1 ZINC000629700815 399694192 /nfs/dbraw/zinc/69/41/92/399694192.db2.gz OYVDYWQAFLNXSP-UHFFFAOYSA-N 2 0 314.429 2.892 20 0 DFADRP [NH3+]CCCn1cc(-c2cc(C[NH+]3CCCC3)ccc2F)cn1 ZINC000629702277 399694745 /nfs/dbraw/zinc/69/47/45/399694745.db2.gz JGJFPLOIMOMDLE-UHFFFAOYSA-N 2 0 302.397 2.634 20 0 DFADRP CC(C)(C)C1CCC(C[NH2+]Cc2nc(C[NH3+])cc(=O)[nH]2)CC1 ZINC000629653550 399676080 /nfs/dbraw/zinc/67/60/80/399676080.db2.gz PVFOSUKROFBEHV-UHFFFAOYSA-N 2 0 306.454 2.583 20 0 DFADRP C[C@@H](C[NH2+]CC1([NH3+])CCOCC1)c1ccc(C(F)(F)F)cc1 ZINC000629653471 399676201 /nfs/dbraw/zinc/67/62/01/399676201.db2.gz ICRMMSOWICTAHB-LBPRGKRZSA-N 2 0 316.367 2.906 20 0 DFADRP C[C@@H]([NH3+])Cc1cccc(-c2ccccc2C[NH+]2CCN(C)CC2)c1 ZINC000629735118 399707455 /nfs/dbraw/zinc/70/74/55/399707455.db2.gz ITPWYSNDMKRIIU-QGZVFWFLSA-N 2 0 323.484 2.991 20 0 DFADRP C[NH+](C)Cc1ccc(F)c(-c2ccc(C[C@@H](C[NH3+])CO)cc2)c1 ZINC000629736426 399709012 /nfs/dbraw/zinc/70/90/12/399709012.db2.gz GKZLACXJYOIWNP-INIZCTEOSA-N 2 0 316.420 2.664 20 0 DFADRP C[C@@H]([NH2+]CCNc1ccc2ccccc2n1)C1CC[NH+](C)CC1 ZINC000090229781 542535591 /nfs/dbraw/zinc/53/55/91/542535591.db2.gz FFRWGKFUMQVFSL-OAHLLOKOSA-N 2 0 312.461 2.967 20 0 DFADRP C[C@@H]([NH2+][C@@H](C)C1CC[NH+](C)CC1)c1ccc(-n2ccnn2)cc1 ZINC000090879875 542538940 /nfs/dbraw/zinc/53/89/40/542538940.db2.gz TUQBYUPKDPIMEX-CABCVRRESA-N 2 0 313.449 2.648 20 0 DFADRP CC[C@@H]1CC[C@@H]1[NH2+]CCN1CC[NH+](Cc2ccccc2)CC1 ZINC000348089269 285339853 /nfs/dbraw/zinc/33/98/53/285339853.db2.gz SRUMWBCUBRMMAM-MOPGFXCFSA-N 2 0 301.478 2.582 20 0 DFADRP CCN(CC)[C@H](C[NH2+][C@H](C)C1CC[NH+](C)CC1)c1ccco1 ZINC000119119977 542570644 /nfs/dbraw/zinc/57/06/44/542570644.db2.gz JGGCBVBEIURNNW-NVXWUHKLSA-N 2 0 307.482 2.982 20 0 DFADRP C[C@H]([NH3+])CC(=O)N(CC[NH+]1CCCC1)Cc1ccc(Cl)cc1 ZINC000423757449 296444020 /nfs/dbraw/zinc/44/40/20/296444020.db2.gz MJOMLAMLPOSCQT-AWEZNQCLSA-N 2 0 323.868 2.502 20 0 DFADRP C[C@H]([NH2+][C@H]1CCc2c[nH]nc2C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000348099289 285347615 /nfs/dbraw/zinc/34/76/15/285347615.db2.gz WQIIVEKMDFJVJP-IPELMVKDSA-N 2 0 324.472 2.767 20 0 DFADRP CC[NH+]1CCC(CC[NH2+][C@@H]2CCO[C@@H](C(F)(F)F)C2)CC1 ZINC000348100650 285348945 /nfs/dbraw/zinc/34/89/45/285348945.db2.gz FPDKOCDNSLHTPV-ZIAGYGMSSA-N 2 0 308.388 2.808 20 0 DFADRP CC[C@](C)(CO)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000348102001 285350052 /nfs/dbraw/zinc/35/00/52/285350052.db2.gz KFLCNGUXLPDWHJ-XVLXNVKGSA-N 2 0 302.462 2.933 20 0 DFADRP O[C@H](C[NH2+][C@H](c1ccccc1)C1CCCC1)C[NH+]1CCCC1 ZINC000359369094 285356464 /nfs/dbraw/zinc/35/64/64/285356464.db2.gz FWOTZWSYDVVOFV-RTBURBONSA-N 2 0 302.462 2.964 20 0 DFADRP CCOc1ccc([C@H](C)[NH2+]C[C@H](C)CN2CC[NH+](C)CC2)cc1 ZINC000121069660 195289942 /nfs/dbraw/zinc/28/99/42/195289942.db2.gz BFKZUBCVEWKSSD-IRXDYDNUSA-N 2 0 319.493 2.619 20 0 DFADRP CC[N@@H+]1CCC[C@@H](C[NH2+]C2CCN(c3ccccc3)CC2)C1 ZINC000121835993 195358095 /nfs/dbraw/zinc/35/80/95/195358095.db2.gz SRUGRGCNJUOOAD-KRWDZBQOSA-N 2 0 301.478 2.977 20 0 DFADRP C[C@@H]1CCC[C@H](C)N1C(=O)C[NH+]1CCC(CCC[NH+](C)C)CC1 ZINC000123532010 195592758 /nfs/dbraw/zinc/59/27/58/195592758.db2.gz VSFMWFZQUKTPTC-CALCHBBNSA-N 2 0 323.525 2.830 20 0 DFADRP CC(C)[C@@H](Cc1ccc(F)cc1)[NH2+]C[C@H](C)N1CC[NH+](C)CC1 ZINC000127575411 195889505 /nfs/dbraw/zinc/88/95/05/195889505.db2.gz FSPPFBQORGDNSK-QFBILLFUSA-N 2 0 321.484 2.618 20 0 DFADRP CCN(CC)C(=O)[C@@H](C)[N@H+](CC)Cc1ccc(C[NH+](C)C)cc1 ZINC000626062514 399741788 /nfs/dbraw/zinc/74/17/88/399741788.db2.gz VLDPCBHQNPSRRY-MRXNPFEDSA-N 2 0 319.493 2.827 20 0 DFADRP C[C@@H]([NH2+][C@H]1CCCN(c2ccccc2)C1)C1CC[NH+](C)CC1 ZINC000120438485 542577968 /nfs/dbraw/zinc/57/79/68/542577968.db2.gz PNGRYVOSOYVHHX-AEFFLSMTSA-N 2 0 301.478 2.975 20 0 DFADRP C[C@H](O)C[C@H](C[NH2+][C@@H](C)C1CC[NH+](C)CC1)c1ccccc1 ZINC000121624367 542585977 /nfs/dbraw/zinc/58/59/77/542585977.db2.gz DTYULDOZSBOGOZ-TXPKVOOTSA-N 2 0 304.478 2.861 20 0 DFADRP CC[N@H+](C)Cc1cccc(C[NH2+][C@@H](C)C2CC[NH+](C)CC2)c1 ZINC000124008610 542595217 /nfs/dbraw/zinc/59/52/17/542595217.db2.gz QSFXTWKNNQYBNE-INIZCTEOSA-N 3 0 303.494 2.958 20 0 DFADRP COc1cccc(O[C@H](C)C[NH2+][C@H](C)C2CC[NH+](C)CC2)c1 ZINC000125214914 542600545 /nfs/dbraw/zinc/60/05/45/542600545.db2.gz WDEBFSVJHUHILS-HUUCEWRRSA-N 2 0 306.450 2.782 20 0 DFADRP C[N@@H+](Cc1ccc(OCC[NH+]2CCCC2)cc1)C[C@@H]1CCCO1 ZINC000128121435 542617037 /nfs/dbraw/zinc/61/70/37/542617037.db2.gz ALWUPEKOQPYJMA-IBGZPJMESA-N 2 0 318.461 2.772 20 0 DFADRP C[C@@H]([NH2+]CC[C@H]1CCCO1)c1cccc(OCC[NH+](C)C)c1 ZINC000131938408 542640033 /nfs/dbraw/zinc/64/00/33/542640033.db2.gz QTYRFWDDKYQKDM-NVXWUHKLSA-N 2 0 306.450 2.847 20 0 DFADRP CC[NH+](CC)Cc1ccc(C(=O)NCC[C@@H](C)[NH+](C)C)cc1 ZINC000617749235 399789191 /nfs/dbraw/zinc/78/91/91/399789191.db2.gz GQTLGCQETBNYJR-OAHLLOKOSA-N 2 0 305.466 2.598 20 0 DFADRP CCC[N@H+](CC)Cc1ccc(C(=O)NCC(C)(C)[NH+](C)C)cc1 ZINC000299546484 132110408 /nfs/dbraw/zinc/11/04/08/132110408.db2.gz CAHBOHAQXZZNAP-UHFFFAOYSA-N 2 0 319.493 2.989 20 0 DFADRP C[C@H](CC[NH2+][C@H]1CCO[C@H](C(F)(F)F)C1)[NH+]1CCCCC1 ZINC000348362446 285510983 /nfs/dbraw/zinc/51/09/83/285510983.db2.gz AFADGZYMDYXKIV-RDBSUJKOSA-N 2 0 308.388 2.950 20 0 DFADRP CC[NH+](CC)[C@@H](C(=O)NCC[C@@H](C)[NH+](C)C)c1ccccc1 ZINC000617751740 399790083 /nfs/dbraw/zinc/79/00/83/399790083.db2.gz BYHAHSVGKXRKCU-NVXWUHKLSA-N 2 0 305.466 2.526 20 0 DFADRP COC1CCN(CC[NH2+][C@@H]2CCSc3ccccc32)CC1 ZINC000163655389 542743555 /nfs/dbraw/zinc/74/35/55/542743555.db2.gz OXWWEXGASBITKB-MRXNPFEDSA-N 2 0 306.475 2.924 20 0 DFADRP c1cnn(Cc2ccccc2C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000166048270 542750076 /nfs/dbraw/zinc/75/00/76/542750076.db2.gz CFCKARABVQUEQN-RBUKOAKNSA-N 2 0 310.445 2.648 20 0 DFADRP CCC(CC)C(=O)N1CCC([NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000166228882 542750295 /nfs/dbraw/zinc/75/02/95/542750295.db2.gz SYAQSHDEZHVDPJ-QZTJIDSGSA-N 2 0 321.509 2.630 20 0 DFADRP CC(C)[NH2+]CCC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000167541491 542753572 /nfs/dbraw/zinc/75/35/72/542753572.db2.gz LWFQCDFMOTZHNJ-WMZOPIPTSA-N 2 0 317.477 2.544 20 0 DFADRP O=C(NCCCCC[NH+]1CCCCC1)[C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000168742100 542754170 /nfs/dbraw/zinc/75/41/70/542754170.db2.gz TVQLYFJRKLEXFU-BZSNNMDCSA-N 2 0 321.509 2.680 20 0 DFADRP CCOc1cc(C[NH2+][C@H](C)C2CC[NH+](C)CC2)ccc1OC ZINC000168856745 542755248 /nfs/dbraw/zinc/75/52/48/542755248.db2.gz MKOHYDVZWFPUNB-CQSZACIVSA-N 2 0 306.450 2.914 20 0 DFADRP C[C@@H]1C[N@H+](Cc2ccc(OCC[NH+](C)C)cc2)[C@@H](C)[C@H](C)O1 ZINC000682168461 545810716 /nfs/dbraw/zinc/81/07/16/545810716.db2.gz ARFUTLMXXDLGIM-PMPSAXMXSA-N 2 0 306.450 2.625 20 0 DFADRP C[C@@H]1CCN(C(=O)CC[C@H]([NH3+])CC2CCCCC2)C[C@@H]1C[NH3+] ZINC000424209230 296493344 /nfs/dbraw/zinc/49/33/44/296493344.db2.gz ZKNFTZBXUFITMI-PVAVHDDUSA-N 2 0 309.498 2.508 20 0 DFADRP [NH3+][C@@H](Cc1ccccc1)[C@@H](O)C[N@@H+]1CCC[C@@H]1c1ccccc1 ZINC000208290322 542868988 /nfs/dbraw/zinc/86/89/88/542868988.db2.gz AXDPKQKHYLQTAV-ZCNNSNEGSA-N 2 0 310.441 2.754 20 0 DFADRP CC(C)[N@H+](C)Cc1cccc(CNC(=O)c2ccc(C[NH3+])o2)c1 ZINC000236664893 542895454 /nfs/dbraw/zinc/89/54/54/542895454.db2.gz HHHOPRBTTHFILM-UHFFFAOYSA-N 2 0 315.417 2.509 20 0 DFADRP CC(C)C[C@@H]([NH3+])C(=O)NCC1([NH+]2CCCCC2)CCCCC1 ZINC000236709445 542896333 /nfs/dbraw/zinc/89/63/33/542896333.db2.gz JEWATVPWAORYEB-MRXNPFEDSA-N 2 0 309.498 2.665 20 0 DFADRP CC1CC[NH+]([C@@H](CNC(=O)CC(C)(C)[NH3+])c2ccccc2)CC1 ZINC000236720176 542896930 /nfs/dbraw/zinc/89/69/30/542896930.db2.gz MSPYGMDWCIAJTJ-KRWDZBQOSA-N 2 0 317.477 2.703 20 0 DFADRP CC(C)([NH3+])CC(=O)NCc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000236855050 542898694 /nfs/dbraw/zinc/89/86/94/542898694.db2.gz LAHDFHPUJKVQNL-UHFFFAOYSA-N 2 0 317.477 2.806 20 0 DFADRP C[C@@H](CC(=O)N(CC[NH+](C)C)c1ccccc1)C1CC[NH2+]CC1 ZINC000237308484 542901959 /nfs/dbraw/zinc/90/19/59/542901959.db2.gz NAVRJVXMCLNTDY-INIZCTEOSA-N 2 0 317.477 2.607 20 0 DFADRP Cc1ncc([C@H](C)[NH2+]CCCC[NH+]2C[C@H](C)O[C@@H](C)C2)s1 ZINC000245573488 542916047 /nfs/dbraw/zinc/91/60/47/542916047.db2.gz CYYUKFPANFZEOF-IHRRRGAJSA-N 2 0 311.495 2.992 20 0 DFADRP C[C@@H](C[NH2+][C@@H](C1CCC1)C1CCCCC1)N1CC[NH+](C)CC1 ZINC000424289946 296499195 /nfs/dbraw/zinc/49/91/95/296499195.db2.gz ARNZTZKTGRJVIH-QFBILLFUSA-N 2 0 307.526 2.961 20 0 DFADRP OC[C@H]1CCC[N@@H+]1CCCC[NH2+][C@@H]1CCc2ccc(F)cc21 ZINC000268896391 542961638 /nfs/dbraw/zinc/96/16/38/542961638.db2.gz KFIGENIRJABTKZ-SJLPKXTDSA-N 2 0 306.425 2.640 20 0 DFADRP C[N@H+](C[C@@H]1CC[NH+](Cc2ccccc2)C1)[C@@H]1CCCC[C@H]1O ZINC000270509123 542963376 /nfs/dbraw/zinc/96/33/76/542963376.db2.gz RGUYEJJKFNKMRJ-IPMKNSEASA-N 2 0 302.462 2.744 20 0 DFADRP Cc1cc(C[NH+]2CCC(n3ncc4c3C[NH2+]C4)CC2)ccc1F ZINC000424370833 296505509 /nfs/dbraw/zinc/50/55/09/296505509.db2.gz CTRQQOWPRIPIMB-UHFFFAOYSA-N 2 0 314.408 2.771 20 0 DFADRP Cc1cc(NC[C@@H](c2cnn(C)c2)[NH+](C)C)c2ccccc2[nH+]1 ZINC000301293337 543045429 /nfs/dbraw/zinc/04/54/29/543045429.db2.gz QIWUJHDGDPOGLK-SFHVURJKSA-N 2 0 309.417 2.992 20 0 DFADRP CC(C)[N@@H+](C)C[C@@H](C)N[C@@H]1C[C@@H](C)[NH+](Cc2ccccc2)C1 ZINC000309817094 543066040 /nfs/dbraw/zinc/06/60/40/543066040.db2.gz OJUAHVRSYWMKCF-ZHALLVOQSA-N 2 0 303.494 2.968 20 0 DFADRP COC1CC([NH2+][C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]23)C1 ZINC000309888649 543067034 /nfs/dbraw/zinc/06/70/34/543067034.db2.gz CTKWEANBLXCBBF-DYKAAJRGSA-N 2 0 300.446 2.664 20 0 DFADRP Cc1ccc2c(c1)[C@@H]([NH2+]CC(C)(C)N1CC[NH+](C)CC1)CC2 ZINC000316798701 543074365 /nfs/dbraw/zinc/07/43/65/543074365.db2.gz HLHKMYRMENYBDP-SFHVURJKSA-N 2 0 301.478 2.598 20 0 DFADRP Cc1nc([C@@H](C)[NH2+]C[C@H](C(C)C)N2CC[NH+](C)CC2)c(C)s1 ZINC000315288756 543071688 /nfs/dbraw/zinc/07/16/88/543071688.db2.gz NMJKVJPNEUSMQV-CZUORRHYSA-N 2 0 324.538 2.683 20 0 DFADRP C[C@@H]([NH2+][C@@H](C)c1ccc(NC(N)=O)cc1)C1CC[NH+](C)CC1 ZINC000315544043 543071733 /nfs/dbraw/zinc/07/17/33/543071733.db2.gz MGEJVOVKTXDDMA-QWHCGFSZSA-N 2 0 304.438 2.558 20 0 DFADRP CCCCN(CCCC)C(=O)CN1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000320998672 543084006 /nfs/dbraw/zinc/08/40/06/543084006.db2.gz NHSKPONEBUILFQ-MSOLQXFVSA-N 2 0 323.525 2.879 20 0 DFADRP O=C(CC[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1)Nc1cccc(F)c1 ZINC000321266009 543084974 /nfs/dbraw/zinc/08/49/74/543084974.db2.gz GNKCKVZIOXPIEK-PBHICJAKSA-N 2 0 319.424 2.618 20 0 DFADRP CCOc1ccc(OCC[N@@H+]2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)cc1 ZINC000321352628 543085416 /nfs/dbraw/zinc/08/54/16/543085416.db2.gz YHCLDQOGHLHERD-LPHOPBHVSA-N 2 0 318.461 2.928 20 0 DFADRP COc1ccc([C@@H](C)[NH2+]CC2(SC)CC[NH+](C)CC2)cc1O ZINC000353626444 146693271 /nfs/dbraw/zinc/69/32/71/146693271.db2.gz HTVGCDDSXOWUGY-CYBMUJFWSA-N 2 0 324.490 2.879 20 0 DFADRP Cc1ccc(-c2noc(CN3C[C@@H]4CCC[C@]4(C[NH3+])C3)n2)cc1 ZINC000323761913 543093533 /nfs/dbraw/zinc/09/35/33/543093533.db2.gz VDPQVVOJXUFQOF-YJBOKZPZSA-N 2 0 312.417 2.606 20 0 DFADRP Fc1cccc(F)c1N1CC[C@H]([NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)C1 ZINC000339067813 543139455 /nfs/dbraw/zinc/13/94/55/543139455.db2.gz JCWNPZDTDJIYRH-ILXRZTDVSA-N 2 0 321.415 2.760 20 0 DFADRP c1ccc(C[NH+]2CCC[C@@H]2CN[C@H]2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000339069646 543139555 /nfs/dbraw/zinc/13/95/55/543139555.db2.gz YUTWNLHHIUMKSL-SLFFLAALSA-N 2 0 313.489 2.867 20 0 DFADRP C[NH+](C)[C@H](CN[C@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccc(F)cc1 ZINC000339070218 543139710 /nfs/dbraw/zinc/13/97/10/543139710.db2.gz ZNXRIXXTNGPFSW-OKZBNKHCSA-N 2 0 305.441 2.645 20 0 DFADRP COc1ccc(O[C@H](C)C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000339068346 543139749 /nfs/dbraw/zinc/13/97/49/543139749.db2.gz FQCYKVDKIXJTBK-OAGGEKHMSA-N 2 0 304.434 2.679 20 0 DFADRP CCC(CC)C(=O)N1CCC([NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)CC1 ZINC000339068976 543140085 /nfs/dbraw/zinc/14/00/85/543140085.db2.gz SYAQSHDEZHVDPJ-ROUUACIJSA-N 2 0 321.509 2.630 20 0 DFADRP Fc1ccc(N2CC[C@H](C[NH2+][C@H]3CC[N@@H+]4CCC[C@H]4C3)C2)cc1 ZINC000339073797 543140744 /nfs/dbraw/zinc/14/07/44/543140744.db2.gz FHLCNCKSJPJQCC-AYBZRNKSSA-N 2 0 317.452 2.868 20 0 DFADRP C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)CC[NH+]2CCCC[C@H]2C)C1 ZINC000339250993 543141716 /nfs/dbraw/zinc/14/17/16/543141716.db2.gz QANLEWJZVZFRLY-IAGOWNOFSA-N 2 0 323.525 2.878 20 0 DFADRP CCC[N@H+](CC)C[C@H](C)NC(=O)c1ccc(-c2c[nH]cn2)cc1 ZINC000633149190 399857555 /nfs/dbraw/zinc/85/75/55/399857555.db2.gz FLRISLLZBFPAMT-AWEZNQCLSA-N 2 0 314.433 2.927 20 0 DFADRP C[NH+]1CCC2(CCC[N@@H+]2Cc2cnn(CC(F)(F)F)c2)CC1 ZINC000355043909 543246343 /nfs/dbraw/zinc/24/63/43/543246343.db2.gz TVGQQOQRBYTTPW-UHFFFAOYSA-N 2 0 316.371 2.506 20 0 DFADRP C[C@@H]1C[C@@H]([NH2+][C@H]2CCCN(C)C2)CCN1Cc1ccccc1 ZINC000379642523 543297536 /nfs/dbraw/zinc/29/75/36/543297536.db2.gz AEZYGEDYIVZTCO-NEWSRXKRSA-N 2 0 301.478 2.723 20 0 DFADRP CCn1cncc1C[NH2+][C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000383737203 543298710 /nfs/dbraw/zinc/29/87/10/543298710.db2.gz XKYPJBSXJPJKFT-YSIASYRMSA-N 2 0 324.472 2.903 20 0 DFADRP [NH3+][C@H]1CCC[C@H]([NH2+]CC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000397640635 543310683 /nfs/dbraw/zinc/31/06/83/543310683.db2.gz SAOLKSULRRYAMI-OALUTQOASA-N 3 0 301.478 2.758 20 0 DFADRP C[C@H]([NH2+]C[C@@H]1CC[N@H+](CCc2ccccc2)C1)C1CCOCC1 ZINC000165347139 145229182 /nfs/dbraw/zinc/22/91/82/145229182.db2.gz JCAVKIUHBRDUSB-HKUYNNGSSA-N 2 0 316.489 2.956 20 0 DFADRP COC[C@@H]([NH2+]C[C@H]1CC[N@H+](CCc2ccccc2)C1)C1CC1 ZINC000165348960 145229371 /nfs/dbraw/zinc/22/93/71/145229371.db2.gz RATNOQAJSFUNSQ-IEBWSBKVSA-N 2 0 302.462 2.566 20 0 DFADRP CC(C)[C@@H](O)CC[NH2+][C@@H](C)c1ccc(OCC[NH+](C)C)cc1 ZINC000165358712 145229900 /nfs/dbraw/zinc/22/99/00/145229900.db2.gz YONPGNAWZPVPAT-YJBOKZPZSA-N 2 0 308.466 2.685 20 0 DFADRP C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)[C@@H]([NH3+])C(C)(C)C)CC1 ZINC000167793505 145242471 /nfs/dbraw/zinc/24/24/71/145242471.db2.gz USQZXMHOOHHBNZ-RHSMWYFYSA-N 2 0 317.477 2.702 20 0 DFADRP CCc1ccccc1NC(=O)C[C@H](C)[NH2+][C@H]1CCC[C@H]([NH3+])C1 ZINC000414928504 543327690 /nfs/dbraw/zinc/32/76/90/543327690.db2.gz QDBNIBACVGFNDZ-BPUTZDHNSA-N 2 0 303.450 2.826 20 0 DFADRP [NH3+][C@@H]1CCC[C@@H]([NH2+]Cc2ccc(OC[C@@H]3CCCO3)cc2)C1 ZINC000414907702 543327707 /nfs/dbraw/zinc/32/77/07/543327707.db2.gz AVEOUCSUZHJFGD-NUJGCVRESA-N 2 0 304.434 2.604 20 0 DFADRP CC[C@H](Cc1ccc(OC)c(OC)c1)[NH2+][C@@H]1CCC[C@H]([NH3+])C1 ZINC000414928532 543327732 /nfs/dbraw/zinc/32/77/32/543327732.db2.gz QDPWYQYDKRJBGP-ARFHVFGLSA-N 2 0 306.450 2.884 20 0 DFADRP C[C@H]([NH3+])CC[NH2+]Cc1ccc(Br)c2cccnc12 ZINC000414821466 543327874 /nfs/dbraw/zinc/32/78/74/543327874.db2.gz LHMYGFGPXWAACJ-JTQLQIEISA-N 2 0 308.223 2.824 20 0 DFADRP Cc1ccc(-c2n[nH]cc2C[NH2+][C@H]2CCC[C@H]([NH+](C)C)C2)o1 ZINC000175008539 145396068 /nfs/dbraw/zinc/39/60/68/145396068.db2.gz LPGSMGLMAPJEMN-GJZGRUSLSA-N 2 0 302.422 2.941 20 0 DFADRP Cc1cc(NC2CC[NH2+]CC2)c2cc(OC(F)F)ccc2[nH+]1 ZINC000630550254 399901950 /nfs/dbraw/zinc/90/19/50/399901950.db2.gz XVFGIMUNRBWXQU-UHFFFAOYSA-N 2 0 307.344 2.730 20 0 DFADRP COCCc1ncc(C[NH2+]Cc2cccc(C[NH+](C)C)c2)s1 ZINC000631038190 399967053 /nfs/dbraw/zinc/96/70/53/399967053.db2.gz UWVPYSJWUHSWTQ-UHFFFAOYSA-N 2 0 319.474 2.683 20 0 DFADRP CC1CC[NH+](CCCC[NH2+]Cc2c3c(nn2C)CCCC3)CC1 ZINC000631041765 399967783 /nfs/dbraw/zinc/96/77/83/399967783.db2.gz AWQZHMVKWHIUHR-UHFFFAOYSA-N 2 0 318.509 2.901 20 0 DFADRP C[NH+]1CCC(O)(C[NH2+]Cc2ccc(F)c3ccccc23)CC1 ZINC000631077600 399975866 /nfs/dbraw/zinc/97/58/66/399975866.db2.gz JTBYXYKRPUWKNO-UHFFFAOYSA-N 2 0 302.393 2.525 20 0 DFADRP CC[C@@H]1[C@@H](C(=O)N2CCC[C@H]([NH+]3[C@@H](C)CC[C@@H]3C)C2)CC[N@@H+]1C ZINC000630853203 399939434 /nfs/dbraw/zinc/93/94/34/399939434.db2.gz SBECENJVEVTEHT-KFGODFMUSA-N 2 0 321.509 2.581 20 0 DFADRP COCCc1ncc(C[NH2+]CC2CC[NH+](CC3CC3)CC2)s1 ZINC000631178075 399997090 /nfs/dbraw/zinc/99/70/90/399997090.db2.gz HVGWDZXPPSKTPV-UHFFFAOYSA-N 2 0 323.506 2.544 20 0 DFADRP C[N@H+](Cc1ccccc1)CC(C)(C)C[NH2+]CC[C@@H](O)C(F)F ZINC000631216910 400006213 /nfs/dbraw/zinc/00/62/13/400006213.db2.gz OZYKCMMAABIKAY-OAHLLOKOSA-N 2 0 314.420 2.750 20 0 DFADRP CC[C@@H]1[C@@H](C(=O)Nc2ccc(C)cc2C[NH+](C)C)CC[N@@H+]1C ZINC000631296601 400019952 /nfs/dbraw/zinc/01/99/52/400019952.db2.gz IXCGUGZNEBWLDO-DOTOQJQBSA-N 2 0 303.450 2.725 20 0 DFADRP C[C@H]([NH2+]Cc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1)C1CC(F)(F)C1 ZINC000628337280 400022374 /nfs/dbraw/zinc/02/23/74/400022374.db2.gz ATDISPLRWPCRPV-SUMWQHHRSA-N 2 0 324.415 2.777 20 0 DFADRP Cc1cccc2c1C[C@H]([NH2+]C1CCN(c3cc[nH+]cc3)CC1)CO2 ZINC000628403718 400030545 /nfs/dbraw/zinc/03/05/45/400030545.db2.gz LUIMZHZKLGYDBR-KRWDZBQOSA-N 2 0 323.440 2.952 20 0 DFADRP COCCC[NH+]1CCC([NH2+][C@H]2CCc3cc(OC)ccc32)CC1 ZINC000631575088 400053425 /nfs/dbraw/zinc/05/34/25/400053425.db2.gz QIPTXPGOSOYTHQ-IBGZPJMESA-N 2 0 318.461 2.773 20 0 DFADRP CC[NH+](CC)CCOCC[NH2+][C@@H]1CCc2cc(OC)ccc21 ZINC000631616426 400058551 /nfs/dbraw/zinc/05/85/51/400058551.db2.gz HNLHVARMKVNNCH-GOSISDBHSA-N 2 0 306.450 2.631 20 0 DFADRP C1C([NH2+][C@H]2[C@@H]3CCO[C@@H]3C23CCCC3)CC1[NH+]1CCCCC1 ZINC000631625292 400059530 /nfs/dbraw/zinc/05/95/30/400059530.db2.gz WLSGYETVQZUPKL-CNFALQKSSA-N 2 0 304.478 2.941 20 0 DFADRP COc1cccc2c1OCCC[C@@H]2[NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000631645312 400061366 /nfs/dbraw/zinc/06/13/66/400061366.db2.gz ZQBURJMXVLUAPA-LZWOXQAQSA-N 2 0 304.434 2.839 20 0 DFADRP C([NH2+][C@H]1[C@@H]2CCO[C@@H]2C12CCC2)C1CC[NH+](CC2CC2)CC1 ZINC000631649372 400061861 /nfs/dbraw/zinc/06/18/61/400061861.db2.gz ZFMBTBZLBQQNKX-BZSNNMDCSA-N 2 0 304.478 2.656 20 0 DFADRP OC[C@H]1C[C@@H]([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]3CCC[C@@H]32)C1 ZINC000631673226 400064933 /nfs/dbraw/zinc/06/49/33/400064933.db2.gz RSCNSVMIJHYRPS-USYVTKNRSA-N 2 0 314.473 2.790 20 0 DFADRP O[C@@H](CC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)C(F)F ZINC000631697965 400067700 /nfs/dbraw/zinc/06/77/00/400067700.db2.gz AHAPRMJFAFGWRN-HMQMGEFJSA-N 2 0 324.415 2.788 20 0 DFADRP C[C@@H](Cc1ccccc1)[NH+]1CCC([NH2+][C@H]2CCC[C@@H]2O)CC1 ZINC000631742212 400071359 /nfs/dbraw/zinc/07/13/59/400071359.db2.gz NEBDKQQTZJDCJQ-SNRMKQJTSA-N 2 0 302.462 2.585 20 0 DFADRP C[C@@H]([NH2+][C@@H]1CCCC[C@@H]1O)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000631811135 400077229 /nfs/dbraw/zinc/07/72/29/400077229.db2.gz RLMUSIKGXREWJD-OWYHZJEWSA-N 2 0 302.462 2.790 20 0 DFADRP C[C@@H]([NH2+][C@@H]1CCCC[C@@H]1O)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000631811134 400077248 /nfs/dbraw/zinc/07/72/48/400077248.db2.gz RLMUSIKGXREWJD-LULLPPNCSA-N 2 0 302.462 2.790 20 0 DFADRP [NH3+][C@@H]1CCO[C@H](C2CC[NH+](C[C@@H]3CCC(F)(F)C3)CC2)C1 ZINC000631828578 400078222 /nfs/dbraw/zinc/07/82/22/400078222.db2.gz SHALEQFFNQMZIF-YUELXQCFSA-N 2 0 302.409 2.640 20 0 DFADRP COC(=O)[C@H](CC[NH+]1CCC(C[NH+](C)C)CC1)c1ccccc1 ZINC000425409341 296578261 /nfs/dbraw/zinc/57/82/61/296578261.db2.gz UXRPSBYQUIFMMU-GOSISDBHSA-N 2 0 318.461 2.607 20 0 DFADRP CCCC[C@@H]([NH3+])C(=O)NCC[C@H](C)[N@H+](C)Cc1ccccc1 ZINC000236748497 146026223 /nfs/dbraw/zinc/02/62/23/146026223.db2.gz RRXKFJYCNRIYSC-DOTOQJQBSA-N 2 0 305.466 2.531 20 0 DFADRP CCCC[C@@H]([NH3+])C(=O)NCc1ccc(C[NH+](CC)CC)cc1 ZINC000236770418 146026316 /nfs/dbraw/zinc/02/63/16/146026316.db2.gz PTDKKBXFXMRWIR-QGZVFWFLSA-N 2 0 305.466 2.662 20 0 DFADRP CCC[NH+](CCC)CCCC(=O)N(C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000236988716 146034342 /nfs/dbraw/zinc/03/43/42/146034342.db2.gz AMABCKVBAMHROC-SJPCQFCGSA-N 2 0 309.498 2.630 20 0 DFADRP C[C@H](CCNC(=O)[C@]1(C)CCCC[NH2+]1)[N@H+](C)Cc1ccccc1 ZINC000237459700 146044392 /nfs/dbraw/zinc/04/43/92/146044392.db2.gz QTRLXFDEVLUOJD-APWZRJJASA-N 2 0 317.477 2.545 20 0 DFADRP C[C@@H](Cc1ccccc1)[NH+]1CCC([NH2+][C@@H]2C[C@H]3CC[C@@H]2O3)CC1 ZINC000449157845 543362297 /nfs/dbraw/zinc/36/22/97/543362297.db2.gz WNIBAIUSJMGNLU-OBZTUIKSSA-N 2 0 314.473 2.992 20 0 DFADRP OC[C@@H]1CCC[N@@H+]1CCCC[NH2+][C@@H](c1ccccc1)C1CC1 ZINC000246089107 146119170 /nfs/dbraw/zinc/11/91/70/146119170.db2.gz NNPYUYOJYWUYGZ-OALUTQOASA-N 2 0 302.462 2.964 20 0 DFADRP C[C@@H](C(=O)NCCCC[N@@H+]1CCC[C@@H](C)C1)[NH+]1CCCCCC1 ZINC000246097249 146120423 /nfs/dbraw/zinc/12/04/23/146120423.db2.gz AWPIJLDLTXAIJP-MSOLQXFVSA-N 2 0 323.525 2.879 20 0 DFADRP C[C@H]1CCCC[N@@H+]1CCC1CC[NH+](CC[C@H]2CCOC2=O)CC1 ZINC000246116850 146121219 /nfs/dbraw/zinc/12/12/19/146121219.db2.gz YDTPKDKEJARDJA-WMZOPIPTSA-N 2 0 322.493 2.916 20 0 DFADRP COc1ccccc1N1CC[C@H](C[NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC000247085106 146160773 /nfs/dbraw/zinc/16/07/73/146160773.db2.gz RDXPZZADBCRWDS-GVDBMIGSSA-N 2 0 317.477 2.594 20 0 DFADRP COc1ccccc1N1CC[C@H](C[NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)C1 ZINC000247085095 146160939 /nfs/dbraw/zinc/16/09/39/146160939.db2.gz RDXPZZADBCRWDS-BRWVUGGUSA-N 2 0 317.477 2.594 20 0 DFADRP COc1cccc([C@@H](C)[NH2+]CCCC[N@@H+]2CCC[C@H]2CO)c1 ZINC000247371384 146167400 /nfs/dbraw/zinc/16/74/00/146167400.db2.gz RXORZUQGMLUISJ-WBVHZDCISA-N 2 0 306.450 2.583 20 0 DFADRP C[N@@H+]1CCC[C@@H]2CN(Cc3ccc(Br)o3)CC[C@H]21 ZINC000248879913 146173679 /nfs/dbraw/zinc/17/36/79/146173679.db2.gz PBVSMQNTPXGKCQ-DGCLKSJQSA-N 2 0 313.239 2.958 20 0 DFADRP OCC1([NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)CCC1 ZINC000248997931 146181726 /nfs/dbraw/zinc/18/17/26/146181726.db2.gz PQVAMKDVJSBICS-NNZMDNLPSA-N 2 0 300.446 2.687 20 0 DFADRP CN(C[C@@H]1CCC[NH2+]C1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000261539648 146237707 /nfs/dbraw/zinc/23/77/07/146237707.db2.gz CXLNSPIIDSMLBU-MOPGFXCFSA-N 2 0 301.478 2.582 20 0 DFADRP FC(F)(F)c1c[nH]c([C@@H]2CCC[N@H+](C[C@@H]3CCC[NH2+]C3)C2)n1 ZINC000261638427 146251341 /nfs/dbraw/zinc/25/13/41/146251341.db2.gz AAJXCUDCGFLBAH-VXGBXAGGSA-N 2 0 316.371 2.608 20 0 DFADRP C[C@]1(C[NH3+])CC[N@H+](CCC(=O)Nc2cccc3ccccc32)C1 ZINC000261632537 146251466 /nfs/dbraw/zinc/25/14/66/146251466.db2.gz FMQZLYXGTGTTMO-LJQANCHMSA-N 2 0 311.429 2.839 20 0 DFADRP C[C@@]1(C[NH3+])CC[N@H+](CCc2nc(-c3cccc(Cl)c3)no2)C1 ZINC000261643790 146252297 /nfs/dbraw/zinc/25/22/97/146252297.db2.gz GOFRNHBGWKGCGN-INIZCTEOSA-N 2 0 320.824 2.603 20 0 DFADRP C[C@H](c1ccc(F)c(Cl)c1)[N@@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000261641493 146252712 /nfs/dbraw/zinc/25/27/12/146252712.db2.gz IQFQZJLRZGBPPL-OCCSQVGLSA-N 2 0 311.832 2.520 20 0 DFADRP C[NH2+]C[C@@H]1CCC[N@H+](Cc2ccc(C)cc2-c2cnn(C)c2)C1 ZINC000261648404 146253306 /nfs/dbraw/zinc/25/33/06/146253306.db2.gz AWTIYCQUKPFEEY-INIZCTEOSA-N 2 0 312.461 2.827 20 0 DFADRP Cc1ccc(C[N@@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)c(-c2ccnn2C)c1 ZINC000261656335 146254802 /nfs/dbraw/zinc/25/48/02/146254802.db2.gz BITWOPBOXHSSNH-CGTJXYLNSA-N 2 0 310.445 2.565 20 0 DFADRP C[C@@H](c1ccc(Cl)cc1)N(C)C(=O)CN1CC[C@](C)(C[NH3+])C1 ZINC000261674285 146258328 /nfs/dbraw/zinc/25/83/28/146258328.db2.gz JJZWQABUSMSNCG-SUMWQHHRSA-N 2 0 323.868 2.530 20 0 DFADRP Cc1cc(C)c(NC(=O)CN(C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)c(C)c1 ZINC000261695977 146261407 /nfs/dbraw/zinc/26/14/07/146261407.db2.gz JLDYYBXMWRGGIX-SJPCQFCGSA-N 2 0 315.461 2.765 20 0 DFADRP CC(C)(C)[C@@H](NC(=O)CN1CC[C@@](C)(C[NH3+])C1)c1cccs1 ZINC000261698936 146262123 /nfs/dbraw/zinc/26/21/23/146262123.db2.gz HZMKVRQWMXOXNU-RDJZCZTQSA-N 2 0 323.506 2.622 20 0 DFADRP CC[N@H+](Cc1ccc(-c2nc(C[C@H](C)[NH2+]C)no2)cc1)C1CC1 ZINC000261703408 146262606 /nfs/dbraw/zinc/26/26/06/146262606.db2.gz IENKJALTSZHXTM-ZDUSSCGKSA-N 2 0 314.433 2.871 20 0 DFADRP c1cc2c(cc1C[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1)OCCO2 ZINC000261713486 146263053 /nfs/dbraw/zinc/26/30/53/146263053.db2.gz LJLQPOCPTPZSBK-YESZJQIVSA-N 2 0 316.445 2.858 20 0 DFADRP CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)C[C@@H]2CCC[C@H]2[NH3+])C1 ZINC000261714876 146265311 /nfs/dbraw/zinc/26/53/11/146265311.db2.gz JOUURXZNYGRUTG-HRCADAONSA-N 2 0 309.498 2.521 20 0 DFADRP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+]C1CCN(c2ccccn2)CC1 ZINC000261762158 146271702 /nfs/dbraw/zinc/27/17/02/146271702.db2.gz PYSXJHMAAWRXNF-SJLPKXTDSA-N 2 0 316.493 2.951 20 0 DFADRP C[C@@H]1C[N@H+](Cc2ccccc2)[C@H](C)CN1C[C@@H]1CCC[NH2+]C1 ZINC000261774093 146274886 /nfs/dbraw/zinc/27/48/86/146274886.db2.gz DYQJCQXKAMGNDV-ZHALLVOQSA-N 2 0 301.478 2.581 20 0 DFADRP Cc1ccc(C[N@H+]2CCC[C@@H]([C@H](C)[NH3+])C2)c(-c2ccnn2C)c1 ZINC000261811307 146280615 /nfs/dbraw/zinc/28/06/15/146280615.db2.gz HQJODULEHMZSCD-JKSUJKDBSA-N 2 0 312.461 2.955 20 0 DFADRP CCC[N@H+](CC)Cc1ccc(C(=O)N2C[C@H](C[NH3+])C[C@@H]2C)cc1 ZINC000261865289 146292120 /nfs/dbraw/zinc/29/21/20/146292120.db2.gz RPTQMWFUZBWSDX-RDJZCZTQSA-N 2 0 317.477 2.728 20 0 DFADRP Cc1nc2ccccn2c1C[N@@H+]1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000261876066 146293189 /nfs/dbraw/zinc/29/31/89/146293189.db2.gz XXSWJOSMFSUGCA-MSOLQXFVSA-N 2 0 320.440 2.817 20 0 DFADRP CC(C)C[N@H+](C[C@H](O)c1ccc(F)cc1)C[C@]1(C)CC[NH2+]C1 ZINC000261912105 146300259 /nfs/dbraw/zinc/30/02/59/146300259.db2.gz YMLYGPXHGVQMBR-ZWKOTPCHSA-N 2 0 308.441 2.817 20 0 DFADRP C[NH2+]CC1CC[NH+](Cc2ccc(OC)c(OC(F)F)c2)CC1 ZINC000261919412 146301461 /nfs/dbraw/zinc/30/14/61/146301461.db2.gz HNGBIPPDPXATIY-UHFFFAOYSA-N 2 0 314.376 2.728 20 0 DFADRP C[NH2+]CC1CC[NH+](Cc2cc(C(=O)OC)ccc2Cl)CC1 ZINC000261963934 146310180 /nfs/dbraw/zinc/31/01/80/146310180.db2.gz PPPACXHWJXBENM-UHFFFAOYSA-N 2 0 310.825 2.558 20 0 DFADRP CCC[N@H+](C[C@@H]1COc2ccccc2O1)C[C@@]1(C)CC[NH2+]C1 ZINC000261970982 146311091 /nfs/dbraw/zinc/31/10/91/146311091.db2.gz IFINKKUAHXYQKJ-QAPCUYQASA-N 2 0 304.434 2.538 20 0 DFADRP Clc1ccccc1CC[NH2+][C@@H]1CCC[C@@H]1[C@@H]1COCCN1 ZINC000261975752 146313029 /nfs/dbraw/zinc/31/30/29/146313029.db2.gz RCCINRIIXBPGHG-UAGQMJEPSA-N 2 0 308.853 2.629 20 0 DFADRP C[NH2+]CCC1CC[NH+](Cc2cc(Cl)c3c(c2)OCCO3)CC1 ZINC000261985452 146316676 /nfs/dbraw/zinc/31/66/76/146316676.db2.gz SBKLPQMGMTTYMG-UHFFFAOYSA-N 2 0 324.852 2.933 20 0 DFADRP FC(F)(F)c1cc([C@H]2CCC[N@H+](C[C@@H]3CCC[NH2+]C3)C2)[nH]n1 ZINC000262000935 146321256 /nfs/dbraw/zinc/32/12/56/146321256.db2.gz UCRYZIFJZFWYDD-NEPJUHHUSA-N 2 0 316.371 2.608 20 0 DFADRP Cn1cc(C[N@@H+]2CCC3(C2)CC[NH2+]CC3)c(-c2cccs2)n1 ZINC000262017760 146322621 /nfs/dbraw/zinc/32/26/21/146322621.db2.gz MXPJNQMMGMVIDU-UHFFFAOYSA-N 2 0 316.474 2.724 20 0 DFADRP C[NH2+]CC1CC[NH+](Cc2coc(-c3ccc(F)cc3)n2)CC1 ZINC000262026349 146323875 /nfs/dbraw/zinc/32/38/75/146323875.db2.gz YHJABYCAZZNEKA-UHFFFAOYSA-N 2 0 303.381 2.912 20 0 DFADRP FC(F)(F)[C@@H]1CCC[C@H]([NH2+][C@@H]2CCC[C@@H]2[C@@H]2COCCN2)C1 ZINC000262038460 146326343 /nfs/dbraw/zinc/32/63/43/146326343.db2.gz YGESVIRWWPPORW-FQKPHLNHSA-N 2 0 320.399 2.854 20 0 DFADRP C[C@H]([NH3+])[C@H]1CCCCN1Cc1ccc(-c2cnn(C)c2)s1 ZINC000262039832 146326556 /nfs/dbraw/zinc/32/65/56/146326556.db2.gz PARAATJXARVQFW-SWLSCSKDSA-N 2 0 304.463 2.850 20 0 DFADRP c1nc([C@@H]2CCCO2)sc1C[N@@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000262076728 146330967 /nfs/dbraw/zinc/33/09/67/146330967.db2.gz SOWGSNBIROSPHG-AWEZNQCLSA-N 2 0 307.463 2.570 20 0 DFADRP CCOc1ccc(OCC[N@@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)cc1 ZINC000262111156 146334016 /nfs/dbraw/zinc/33/40/16/146334016.db2.gz JUOYKGRNPJGUPN-QGTPRVQTSA-N 2 0 304.434 2.523 20 0 DFADRP C[C@@H]1CCCC[N@@H+]1CCC1CC[NH+](C[C@]2(C)CC[NH2+]C2)CC1 ZINC000262112469 146334809 /nfs/dbraw/zinc/33/48/09/146334809.db2.gz WQABEFSJJPMPGR-IEBWSBKVSA-N 3 0 307.526 2.963 20 0 DFADRP C[C@H]([NH3+])[C@H]1CCC[N@H+](Cc2ccc(OC[C@@H]3CCCO3)cc2)C1 ZINC000262120509 146335283 /nfs/dbraw/zinc/33/52/83/146335283.db2.gz MBDQVWCGKYLDHO-IEZWGBDMSA-N 2 0 318.461 2.804 20 0 DFADRP C[C@H]([NH3+])[C@H]1CCC[N@H+](Cc2ccc(OC[C@H]3CCCO3)cc2)C1 ZINC000262120516 146335866 /nfs/dbraw/zinc/33/58/66/146335866.db2.gz MBDQVWCGKYLDHO-VDZJLULYSA-N 2 0 318.461 2.804 20 0 DFADRP O[C@@H]1C[NH2+]C[C@H]1C[NH2+]Cc1ccc(-c2ccccc2Cl)s1 ZINC000262161721 146340222 /nfs/dbraw/zinc/34/02/22/146340222.db2.gz STKFJSRHWCQCTH-IAQYHMDHSA-N 2 0 322.861 2.738 20 0 DFADRP C[C@H]([NH3+])c1ccc(NC(=O)C2C[C@H]3CCC[C@@H](C2)C3[NH3+])cc1 ZINC000262196401 146341860 /nfs/dbraw/zinc/34/18/60/146341860.db2.gz MPHWCJDFEHLLIE-PLVSLEAYSA-N 2 0 301.434 2.798 20 0 DFADRP C[C@H]([NH2+]C(C)(C)CNC(=O)[C@@H]1CCC[C@@H]([NH3+])C1)c1ccccc1 ZINC000262314887 146350363 /nfs/dbraw/zinc/35/03/63/146350363.db2.gz UAGVIAFIGMEPAQ-USXIJHARSA-N 2 0 317.477 2.750 20 0 DFADRP Cc1cccc(N2CC[NH+](C[C@H]3CC[NH2+][C@@H](C)C3)CC2)c1C ZINC000262413997 146357852 /nfs/dbraw/zinc/35/78/52/146357852.db2.gz DJSTZOXHLJFFBD-WMZOPIPTSA-N 2 0 301.478 2.814 20 0 DFADRP CCC[N@H+](C[C@@H]1CCC[NH2+]C1)C[C@H]1COc2ccccc2O1 ZINC000262552892 146370227 /nfs/dbraw/zinc/37/02/27/146370227.db2.gz STHJBPVBWXNLGZ-CVEARBPZSA-N 2 0 304.434 2.538 20 0 DFADRP CCCOc1ccc(OCC[N@@H+]2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)cc1 ZINC000262560883 146371621 /nfs/dbraw/zinc/37/16/21/146371621.db2.gz VLLFYPTWBQUWIB-WBAXXEDZSA-N 2 0 304.434 2.523 20 0 DFADRP CC(C)[NH+](CCCNC(=O)CC[C@H]1CCCC[N@@H+]1C)C(C)C ZINC000354372171 147012049 /nfs/dbraw/zinc/01/20/49/147012049.db2.gz LUVHCLVVDADMRI-QGZVFWFLSA-N 2 0 311.514 2.876 20 0 DFADRP COC(=O)C[C@@H]1CC[C@H]([NH2+]CC[C@@H](C)[NH+]2CCCCC2)[C@H]1C ZINC000354670030 147111397 /nfs/dbraw/zinc/11/13/97/147111397.db2.gz URZLNHXLRPYFDX-QZWWFDLISA-N 2 0 310.482 2.818 20 0 DFADRP C[C@H]1CCC[C@@H]([NH+]2CCC(NCC[N@H+]3CC=CCC3)CC2)C1 ZINC000355510103 147342418 /nfs/dbraw/zinc/34/24/18/147342418.db2.gz HLKFWRGJEADRFR-PKOBYXMFSA-N 2 0 305.510 2.881 20 0 DFADRP CCN(CC)c1ncc(C[NH+]2CCC(C[NH+](C)C)CC2)s1 ZINC000350141031 286009686 /nfs/dbraw/zinc/00/96/86/286009686.db2.gz APVBGHRRQDOJSN-UHFFFAOYSA-N 2 0 310.511 2.763 20 0 DFADRP COc1cc2c(c(C[NH+]3CCC(C[NH+](C)C)CC3)c1)O[C@H](C)C2 ZINC000350149890 286011309 /nfs/dbraw/zinc/01/13/09/286011309.db2.gz VNONNEZWKZEOMW-CQSZACIVSA-N 2 0 318.461 2.792 20 0 DFADRP C[C@H](C(=O)NCCC[NH+]1C[C@H](C)C[C@@H](C)C1)[NH+]1CCCCCC1 ZINC000357807256 148131321 /nfs/dbraw/zinc/13/13/21/148131321.db2.gz BVGYQPUGFDANGG-KZNAEPCWSA-N 2 0 323.525 2.735 20 0 DFADRP C[C@H](C[NH2+]Cc1cc(C2CC[NH2+]CC2)no1)CC(F)(F)F ZINC000425893988 296602823 /nfs/dbraw/zinc/60/28/23/296602823.db2.gz FFHGSOOALILVJP-JTQLQIEISA-N 2 0 305.344 2.820 20 0 DFADRP OCCC1(C[NH2+]Cc2cc(C3CC[NH2+]CC3)no2)CCCCC1 ZINC000425897718 296603225 /nfs/dbraw/zinc/60/32/25/296603225.db2.gz VVXRGYQJRFQVLG-UHFFFAOYSA-N 2 0 321.465 2.564 20 0 DFADRP COc1cc(C)c(C[NH+]2CCC(C[NH+](C)C)CC2)cc1OC ZINC000350225270 286019778 /nfs/dbraw/zinc/01/97/78/286019778.db2.gz WPALSBFXNDYWBP-UHFFFAOYSA-N 2 0 306.450 2.786 20 0 DFADRP Cc1cccnc1CCC[NH2+]Cc1cc(C2CC[NH2+]CC2)no1 ZINC000425898267 296603164 /nfs/dbraw/zinc/60/31/64/296603164.db2.gz YJCKDCAZQGLNAS-UHFFFAOYSA-N 2 0 314.433 2.567 20 0 DFADRP COC(=O)c1ccc(Cl)c(C[N@H+](C)CC2CC[NH+](C)CC2)c1 ZINC000358055171 148227818 /nfs/dbraw/zinc/22/78/18/148227818.db2.gz YXKYWPCFHUXVLE-UHFFFAOYSA-N 2 0 324.852 2.900 20 0 DFADRP CCn1nccc1C[N@H+](C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000350272554 286023335 /nfs/dbraw/zinc/02/33/35/286023335.db2.gz XQGPDRKHBBRSMH-UHFFFAOYSA-N 2 0 313.449 2.646 20 0 DFADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]CC(C)(C)C[C@@H](C)O)[C@H](C)C1 ZINC000358168857 148268141 /nfs/dbraw/zinc/26/81/41/148268141.db2.gz OBTFXQPAMJNVRQ-ZACQAIPSSA-N 2 0 314.514 2.510 20 0 DFADRP CCC1CCC([N@H+](C)CC(=O)NC2CC[NH+](C(C)C)CC2)CC1 ZINC000358199474 148281700 /nfs/dbraw/zinc/28/17/00/148281700.db2.gz SCOFXSBHNBKAPN-UHFFFAOYSA-N 2 0 323.525 2.876 20 0 DFADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]CCc2ccccc2O)[C@@H](C)C1 ZINC000358209391 148286778 /nfs/dbraw/zinc/28/67/78/148286778.db2.gz WUSTUDCSMSBOFL-WMZOPIPTSA-N 2 0 320.477 2.661 20 0 DFADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CCc2ccncc2C)[C@H](C)C1 ZINC000358253395 148305776 /nfs/dbraw/zinc/30/57/76/148305776.db2.gz OZNJBOKZOKVNSD-IEBWSBKVSA-N 2 0 319.493 2.659 20 0 DFADRP Cc1cc2cc([C@H](C)NC[C@@]3(O)CC[N@H+](C)C3)oc2cc1C ZINC000358257034 148307474 /nfs/dbraw/zinc/30/74/74/148307474.db2.gz SVNXPLHGUWWVPE-KSSFIOAISA-N 2 0 302.418 2.767 20 0 DFADRP CC[N@@H+]1CC[C@H]([NH2+]CCCc2ccc3c(c2)OCCO3)[C@H](C)C1 ZINC000358281865 148316864 /nfs/dbraw/zinc/31/68/64/148316864.db2.gz DCLDKDSDRZATNO-WBVHZDCISA-N 2 0 318.461 2.710 20 0 DFADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]CCCc1ccc2c(c1)OCCO2 ZINC000358301368 148319902 /nfs/dbraw/zinc/31/99/02/148319902.db2.gz PMFUBKLXFCESSQ-BFYDXBDKSA-N 2 0 318.461 2.709 20 0 DFADRP Cc1nc(C)c([C@H](C)NC2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)s1 ZINC000358308815 148322987 /nfs/dbraw/zinc/32/29/87/148322987.db2.gz ZMJRASKQQPKNCC-MAZHCROVSA-N 2 0 323.506 2.788 20 0 DFADRP C[C@@H]1C[N@H+](C)C[C@@H]1N[C@@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000358407080 148349162 /nfs/dbraw/zinc/34/91/62/148349162.db2.gz QZESPTRKSMUWHH-JFRXWTBNSA-N 2 0 301.478 2.579 20 0 DFADRP Cc1cc(C)c(NC(=O)C[N@@H+]2CCC3(C2)CC[NH2+]CC3)c(C)c1 ZINC000358504185 148380071 /nfs/dbraw/zinc/38/00/71/148380071.db2.gz HPKVSTSSTUIDKK-UHFFFAOYSA-N 2 0 315.461 2.626 20 0 DFADRP C[C@H](C(=O)Nc1ccc(Cl)cc1)[N@@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000358503823 148380512 /nfs/dbraw/zinc/38/05/12/148380512.db2.gz GUMOALKFGUAGBY-CYBMUJFWSA-N 2 0 321.852 2.743 20 0 DFADRP CC(C)[C@H](C(=O)NCC1([NH+](C)C)CCCCC1)[NH+]1CCCCC1 ZINC000358809698 148435778 /nfs/dbraw/zinc/43/57/78/148435778.db2.gz FDCKLTUEXFFAEE-QGZVFWFLSA-N 2 0 323.525 2.878 20 0 DFADRP COCCOCc1ccc(C[NH2+]C2CCC([NH+](C)C)CC2)cc1 ZINC000360995250 149002728 /nfs/dbraw/zinc/00/27/28/149002728.db2.gz HZSZXMQLZUCQQO-UHFFFAOYSA-N 2 0 320.477 2.812 20 0 DFADRP C[N@@H+]1CCC[C@H]1CC[NH+]1CCC(CCCn2ccnc2)CC1 ZINC000361045715 149016685 /nfs/dbraw/zinc/01/66/85/149016685.db2.gz MEWFTURCVGAMPK-SFHVURJKSA-N 3 0 304.482 2.860 20 0 DFADRP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@@H+]2CCCc1ccsc1 ZINC000361084882 149025407 /nfs/dbraw/zinc/02/54/07/149025407.db2.gz BVTBYMQHJVOYSS-IXDOHACOSA-N 2 0 308.491 2.864 20 0 DFADRP C[C@@H]1C[N@H+](CCCc2ccsc2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000361096647 149027431 /nfs/dbraw/zinc/02/74/31/149027431.db2.gz MHNKWSDSZBXPBZ-SJLPKXTDSA-N 2 0 321.534 2.639 20 0 DFADRP CC[C@@H]([NH2+]CCc1ccc(OCC[NH+](C)C)cc1)[C@@H]1CCOC1 ZINC000361176101 149047905 /nfs/dbraw/zinc/04/79/05/149047905.db2.gz UEZVKZYWOPJMPA-IEBWSBKVSA-N 2 0 320.477 2.574 20 0 DFADRP C[C@@H]1C[N@H+](C)C[C@H]1c1nc(-c2ccc(F)c(C[NH+](C)C)c2)no1 ZINC000361259980 149068923 /nfs/dbraw/zinc/06/89/23/149068923.db2.gz FFFXGPIHMJWJTH-BXUZGUMPSA-N 2 0 318.396 2.602 20 0 DFADRP CO[C@H](C)[C@H](C)[NH2+]Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000361340568 149090649 /nfs/dbraw/zinc/09/06/49/149090649.db2.gz GDABPJKWGNAMHB-JKSUJKDBSA-N 2 0 306.450 2.674 20 0 DFADRP C[C@@H]1C[C@H](NCC[NH+]2CCCC2)CC[N@@H+]1Cc1ccccc1 ZINC000361345142 149091648 /nfs/dbraw/zinc/09/16/48/149091648.db2.gz YCOYGDSWPOQKAV-IEBWSBKVSA-N 2 0 301.478 2.725 20 0 DFADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]CCC2CCOCC2)[C@@H](C)C1 ZINC000361482889 149127718 /nfs/dbraw/zinc/12/77/18/149127718.db2.gz BOGIFNMWQSUXGW-WMZOPIPTSA-N 2 0 312.498 2.530 20 0 DFADRP C[C@H]1CCCC[N@@H+]1Cc1ccc(NC(=O)[C@]2(F)CC[NH2+]C2)cc1 ZINC000361719444 149200557 /nfs/dbraw/zinc/20/05/57/149200557.db2.gz SYNLSYIDGTVYJV-KSSFIOAISA-N 2 0 319.424 2.701 20 0 DFADRP C[C@H]([NH2+][C@@H]1CCN(C)[C@@H](C)C1)c1cccc(OCC[NH+](C)C)c1 ZINC000361765721 149213468 /nfs/dbraw/zinc/21/34/68/149213468.db2.gz PYLNDERVCZWBNA-XYJFISCASA-N 2 0 319.493 2.760 20 0 DFADRP CCCCNC(=[NH2+])NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000361803510 149224235 /nfs/dbraw/zinc/22/42/35/149224235.db2.gz JZTSGIKMTDKCKU-KRWDZBQOSA-N 2 0 302.466 2.813 20 0 DFADRP COCCC[NH+]1CCC([NH2+][C@@H]2CCC[C@@H]([C@@H]3CCOC3)C2)CC1 ZINC000361893360 149248940 /nfs/dbraw/zinc/24/89/40/149248940.db2.gz JCOPVSKQWHBRBX-ZHALLVOQSA-N 2 0 324.509 2.672 20 0 DFADRP CC[N@@H+]1C[C@H](C)[C@H](N[C@@H]2CC[NH+](Cc3ccccc3)C[C@H]2C)C1 ZINC000361965638 149266598 /nfs/dbraw/zinc/26/65/98/149266598.db2.gz IAPJOIFUBGIBMV-PIKOESSRSA-N 2 0 315.505 2.827 20 0 DFADRP C[C@@H]1CN(C)C[C@H]1[NH2+][C@H]1[C@H](C)C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000361970015 149267231 /nfs/dbraw/zinc/26/72/31/149267231.db2.gz FEASUMZQBDYZOG-VROUVPMXSA-N 2 0 315.505 2.683 20 0 DFADRP C[C@H]([NH2+]C1CCC(CO)CC1)c1cccc(OCC[NH+](C)C)c1 ZINC000361979678 149269863 /nfs/dbraw/zinc/26/98/63/149269863.db2.gz BLLOVNKCNNAGKD-HJOIGYKYSA-N 2 0 320.477 2.829 20 0 DFADRP c1csc(CC[NH+]2CCN(CCC[NH+]3CCCCC3)CC2)c1 ZINC000351299783 286120343 /nfs/dbraw/zinc/12/03/43/286120343.db2.gz DPXCNZOSICPPLC-UHFFFAOYSA-N 2 0 321.534 2.784 20 0 DFADRP [NH3+][C@@H]1CC[C@H]2C[N@H+](Cc3ccc(OCc4ccccn4)cc3)C[C@@H]12 ZINC000351472622 286128920 /nfs/dbraw/zinc/12/89/20/286128920.db2.gz BERNSEDTYUPQIG-PWIZWCRZSA-N 2 0 323.440 2.830 20 0 DFADRP [NH3+][C@@H]1CC[C@@H]2C[N@H+](CCOc3ccc(C(F)(F)F)cc3)C[C@H]12 ZINC000351482071 286131559 /nfs/dbraw/zinc/13/15/59/286131559.db2.gz YOLREOCMDOQHMQ-BYCMXARLSA-N 2 0 314.351 2.753 20 0 DFADRP C[NH+]1CCC(CC[NH2+][C@@H]2CCC(=O)Nc3ccc(F)cc32)CC1 ZINC000369985568 149865809 /nfs/dbraw/zinc/86/58/09/149865809.db2.gz NXFWSMMNWDQEJX-MRXNPFEDSA-N 2 0 319.424 2.921 20 0 DFADRP C[N@H+](Cc1ccccc1)[C@H]1CCN(CC[C@H]2CCC[NH+]2C)C1 ZINC000371205296 150001747 /nfs/dbraw/zinc/00/17/47/150001747.db2.gz QHXHPCFFQBORCS-MOPGFXCFSA-N 2 0 301.478 2.677 20 0 DFADRP Cc1ccnc(NC[C@H]2CC[NH+](CC[C@H]3CCC[N@H+]3C)C2)c1 ZINC000371204546 150003094 /nfs/dbraw/zinc/00/30/94/150003094.db2.gz IFSJFZKVKJONMK-IAGOWNOFSA-N 2 0 302.466 2.608 20 0 DFADRP CC[NH+](CC)C[C@H]1CCN(Cc2cc(-c3cccnc3)n[nH]2)C1 ZINC000371398355 150039203 /nfs/dbraw/zinc/03/92/03/150039203.db2.gz LSLIVOCRWJAHIR-OAHLLOKOSA-N 2 0 313.449 2.635 20 0 DFADRP C[C@@H]1C[C@H](N[C@@H]2c3ccccc3CC[C@@H]2[NH+](C)C)CC[N@@H+]1C ZINC000371484242 150054285 /nfs/dbraw/zinc/05/42/85/150054285.db2.gz BKJPALUGXNECEZ-SKWUIDRYSA-N 2 0 301.478 2.676 20 0 DFADRP C[C@@H]1C[C@H](N[C@H]2c3ccccc3CC[C@H]2[NH+](C)C)CC[N@@H+]1C ZINC000371484241 150054375 /nfs/dbraw/zinc/05/43/75/150054375.db2.gz BKJPALUGXNECEZ-OPNNQBFTSA-N 2 0 301.478 2.676 20 0 DFADRP C[N@@H+]1CCCC12CCN(CCC(=O)Nc1ccc(F)cc1)CC2 ZINC000371692121 150081382 /nfs/dbraw/zinc/08/13/82/150081382.db2.gz GNIRNZBLEWIIJL-UHFFFAOYSA-N 2 0 319.424 2.715 20 0 DFADRP CC[N@@H+]1CC[C@@H](C[NH2+][C@@H]2CCCOc3cc(OC)ccc32)C1 ZINC000371877201 150107752 /nfs/dbraw/zinc/10/77/52/150107752.db2.gz TXIXNKKAEKXWEY-WMLDXEAASA-N 2 0 304.434 2.840 20 0 DFADRP [NH3+]Cc1ccc(C(=O)N2CCC[C@@H]([NH2+]Cc3ccccc3)C2)cc1 ZINC000372025333 150127206 /nfs/dbraw/zinc/12/72/06/150127206.db2.gz KGAZMHGTZBUCLV-LJQANCHMSA-N 2 0 323.440 2.540 20 0 DFADRP C[C@H]([NH2+]CCc1cnccn1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000372355315 150166848 /nfs/dbraw/zinc/16/68/48/150166848.db2.gz LOTQDJORXWGBDV-FUHWJXTLSA-N 2 0 310.445 2.519 20 0 DFADRP CCc1ccccc1C[N@H+](C)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000372459878 150175735 /nfs/dbraw/zinc/17/57/35/150175735.db2.gz KESUPVNLQCGNSV-FQEVSTJZSA-N 2 0 315.505 2.849 20 0 DFADRP CC[N@@H+]1CC[C@H]([NH2+][C@H]2CCN(c3ccc(C)cc3)C2)[C@H](C)C1 ZINC000372781915 150184225 /nfs/dbraw/zinc/18/42/25/150184225.db2.gz PMFCNRKJFFFFID-AOIWGVFYSA-N 2 0 301.478 2.894 20 0 DFADRP CCCC[N@H+](CCC(=O)N1CC[NH2+]CC1)[C@@H](C)c1ccccc1 ZINC000351604719 286166837 /nfs/dbraw/zinc/16/68/37/286166837.db2.gz VLUOREBBDYUZLZ-KRWDZBQOSA-N 2 0 317.477 2.672 20 0 DFADRP CCCCCNC(=O)C1CC[NH+](CC[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000351615449 286170655 /nfs/dbraw/zinc/17/06/55/286170655.db2.gz MWQAKMQULQFNGY-SFHVURJKSA-N 2 0 323.525 2.879 20 0 DFADRP C[C@@H]1[C@H]([NH2+]CCN2CC[N@H+](C)C(C)(C)C2)C[C@@H]1c1ccccc1 ZINC000374232556 150326995 /nfs/dbraw/zinc/32/69/95/150326995.db2.gz VXNKVGJPZMWPNY-YTQUADARSA-N 2 0 315.505 2.794 20 0 DFADRP Cc1nc(C[NH+]2CCC3(C[C@@H]3C[N@@H+](C)C3CC3)CC2)oc1C ZINC000374295847 150339790 /nfs/dbraw/zinc/33/97/90/150339790.db2.gz NLBRVORTKORAIR-OAHLLOKOSA-N 2 0 303.450 2.988 20 0 DFADRP CC(C)[C@H](C)NC(=O)C1CC[NH+](CC[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000351641083 286178785 /nfs/dbraw/zinc/17/87/85/286178785.db2.gz YPCSEVJEQPYZMX-WMZOPIPTSA-N 2 0 323.525 2.734 20 0 DFADRP COCC[N@H+](C)CCCC1CC[NH+](Cc2conc2C)CC1 ZINC000351684027 286192455 /nfs/dbraw/zinc/19/24/55/286192455.db2.gz DHAKQYPFVANPJY-UHFFFAOYSA-N 2 0 309.454 2.553 20 0 DFADRP Cc1nocc1C[NH+]1CCC(CC[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000351732862 286205299 /nfs/dbraw/zinc/20/52/99/286205299.db2.gz UPXKJEZCLJYICK-GJZGRUSLSA-N 2 0 321.465 2.694 20 0 DFADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CC2CC(OCC)C2)[C@H](C)C1 ZINC000351821219 286226334 /nfs/dbraw/zinc/22/63/34/286226334.db2.gz GYZZHLDDPUOLLH-AQEOSJORSA-N 2 0 312.498 2.528 20 0 DFADRP CC[NH+](CC)CCC[C@H](C)NC(=O)CC[C@H]1CCCC[N@@H+]1C ZINC000351886384 286237463 /nfs/dbraw/zinc/23/74/63/286237463.db2.gz JMTNQCWCLDRHRE-DLBZAZTESA-N 2 0 311.514 2.878 20 0 DFADRP CCC[C@H]([NH2+]C(C)C)C(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000352051814 286280388 /nfs/dbraw/zinc/28/03/88/286280388.db2.gz FNZRZHUYSGICKJ-NJAFHUGGSA-N 2 0 321.509 2.628 20 0 DFADRP COc1ccc(CC[C@H](C)[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1O ZINC000373789938 286301398 /nfs/dbraw/zinc/30/13/98/286301398.db2.gz YQUNOEPCGOSUNB-USXIJHARSA-N 2 0 318.461 2.938 20 0 DFADRP CCC[C@@H]([NH2+]C(C)C)C(=O)NCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000352156324 286307350 /nfs/dbraw/zinc/30/73/50/286307350.db2.gz IYQNENCSXFIAQP-IXDOHACOSA-N 2 0 311.514 2.637 20 0 DFADRP CN(Cc1cccs1)C(=O)C[N@H+](CCC[NH3+])CC1CCCC1 ZINC000352504301 286391286 /nfs/dbraw/zinc/39/12/86/286391286.db2.gz OXQXVEKLOQVSPG-UHFFFAOYSA-N 2 0 323.506 2.548 20 0 DFADRP CCOCc1cc(C[N@@H+]2CCCC[C@@H]2CC[NH3+])ccc1OC ZINC000352526038 286398286 /nfs/dbraw/zinc/39/82/86/286398286.db2.gz JPEZRZMHIYLXCX-QGZVFWFLSA-N 2 0 306.450 2.935 20 0 DFADRP [NH3+]CC[C@@H]1CCCC[N@@H+]1Cc1cnc(-c2ccncc2)s1 ZINC000352526398 286398409 /nfs/dbraw/zinc/39/84/09/286398409.db2.gz NEFKHQOVKIUAEN-AWEZNQCLSA-N 2 0 302.447 2.908 20 0 DFADRP CCc1ccc(C[NH2+]Cc2ccccc2OCC[NH+](C)C)cn1 ZINC000352765506 286461072 /nfs/dbraw/zinc/46/10/72/286461072.db2.gz OEFHBVHXRAOOCX-UHFFFAOYSA-N 2 0 313.445 2.874 20 0 DFADRP CC1=C[C@H](C)C[C@@H](C[NH2+][C@@H](CC(C)C)C(=O)NCC[NH+](C)C)C1 ZINC000352799464 286470942 /nfs/dbraw/zinc/47/09/42/286470942.db2.gz OHHJUDODSJFOHZ-JQHSSLGASA-N 2 0 323.525 2.661 20 0 DFADRP CC1=C[C@H](C)C[C@H](C[NH2+]C2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)C1 ZINC000352836903 286480944 /nfs/dbraw/zinc/48/09/44/286480944.db2.gz KWPRKYLCCKMMJV-IAAVTCLWSA-N 2 0 306.494 2.946 20 0 DFADRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+][C@@H](C)C1CCC(F)(F)CC1 ZINC000353276002 286598555 /nfs/dbraw/zinc/59/85/55/286598555.db2.gz UUMQNRHOACBDMM-CABCVRRESA-N 2 0 317.468 2.816 20 0 DFADRP C[C@H]([NH2+]CC1CC[NH+](CCO)CC1)c1nccc2ccccc21 ZINC000353391726 286632861 /nfs/dbraw/zinc/63/28/61/286632861.db2.gz XSOBDJXKOJAGHN-HNNXBMFYSA-N 2 0 313.445 2.590 20 0 DFADRP CCc1cccc(F)c1C[NH+]1CCC(C[NH+]2CCOCC2)CC1 ZINC000353449457 286647784 /nfs/dbraw/zinc/64/77/84/286647784.db2.gz QXYBCHVVYQFRGP-UHFFFAOYSA-N 2 0 320.452 2.932 20 0 DFADRP CC[NH+](CC)[C@H](CNC(=O)[C@H](C1CC1)[NH+]1CCCC1)CC(C)C ZINC000353458770 286651739 /nfs/dbraw/zinc/65/17/39/286651739.db2.gz KKKYLXAKANQZGD-ROUUACIJSA-N 2 0 323.525 2.734 20 0 DFADRP C[NH+](C)C1CCC([NH2+]Cc2cn3cc(Cl)ccc3n2)CC1 ZINC000353459057 286652238 /nfs/dbraw/zinc/65/22/38/286652238.db2.gz GBCAILJJDFOWAM-UHFFFAOYSA-N 2 0 306.841 2.950 20 0 DFADRP [NH3+]CC1(CC(=O)N[C@@H]2CC[N@H+](CC3CCCC3)C2)CCCCC1 ZINC000184239515 158030576 /nfs/dbraw/zinc/03/05/76/158030576.db2.gz JTDPNFVURPJNSZ-QGZVFWFLSA-N 2 0 321.509 2.666 20 0 DFADRP CC[N@@H+]1CC[C@H](C[NH2+][C@H](C)c2cccc(OCC[NH+](C)C)c2)C1 ZINC000246801391 158098774 /nfs/dbraw/zinc/09/87/74/158098774.db2.gz ABXBKXZKZANJHK-IAGOWNOFSA-N 3 0 319.493 2.619 20 0 DFADRP CCN1CCC[C@H]([NH2+][C@H](C)c2ccc(OCC[NH+](C)C)cc2)C1 ZINC000246836269 158101766 /nfs/dbraw/zinc/10/17/66/158101766.db2.gz BYVBIZKNLWEDHC-AEFFLSMTSA-N 2 0 319.493 2.762 20 0 DFADRP C[C@@](O)(C[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1)c1ccccc1 ZINC000246869639 158103161 /nfs/dbraw/zinc/10/31/61/158103161.db2.gz AJDVLMPWAIUREP-RTBURBONSA-N 2 0 302.462 2.844 20 0 DFADRP Cc1nccn1C[C@@H]1CCC[N@H+]1CC(=O)N(C)[C@H](C)CC(C)C ZINC000246884480 158104707 /nfs/dbraw/zinc/10/47/07/158104707.db2.gz DTEPEXDNXIFHLJ-WBVHZDCISA-N 2 0 320.481 2.549 20 0 DFADRP CC[NH+](CC)[C@H](CN[C@@H]1C[C@@H](C)[N@H+](C)C[C@H]1C)c1ccco1 ZINC000246917210 158105703 /nfs/dbraw/zinc/10/57/03/158105703.db2.gz GDBNEYIVUFOLKX-QBPKDAKJSA-N 2 0 307.482 2.981 20 0 DFADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@@H](C)Oc2ccc(OC)cc2)[C@@H](C)C1 ZINC000246939769 158107442 /nfs/dbraw/zinc/10/74/42/158107442.db2.gz GUVLYRJWRXDJIL-DAYGRLMNSA-N 2 0 306.450 2.782 20 0 DFADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@H](C)N2CCc3ccccc32)[C@@H](C)C1 ZINC000246969189 158109692 /nfs/dbraw/zinc/10/96/92/158109692.db2.gz JIPLQTHWIHISBU-BQFCYCMXSA-N 2 0 301.478 2.758 20 0 DFADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@H](C)Oc2ccccc2OC)[C@H](C)C1 ZINC000247037569 158115447 /nfs/dbraw/zinc/11/54/47/158115447.db2.gz LPHKUJVRBUQDGI-PMPSAXMXSA-N 2 0 306.450 2.782 20 0 DFADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+][C@H]1CCN(c2ncccc2Cl)C1 ZINC000247124347 158119595 /nfs/dbraw/zinc/11/95/95/158119595.db2.gz PXNDSVJQSVFXCS-HGTKMLMNSA-N 2 0 322.884 2.632 20 0 DFADRP COc1ccc([C@H](C)[C@H](C)[NH2+]C[C@@H](O)C[NH+]2CCCCC2)cc1 ZINC000247245988 158124214 /nfs/dbraw/zinc/12/42/14/158124214.db2.gz ZGFUVJPGZSBLNA-SOLBZPMBSA-N 2 0 320.477 2.624 20 0 DFADRP Cc1ccccc1NC(=O)C[N@H+]1CC[C@@H](C)[C@@H](n2ccnc2)C1 ZINC000247326116 158130851 /nfs/dbraw/zinc/13/08/51/158130851.db2.gz UETGOPUDZZWKKF-WBVHZDCISA-N 2 0 312.417 2.713 20 0 DFADRP C[C@@H](c1nnc(-c2ccccc2)o1)N1CC[C@@H](C[NH+](C)C)C1 ZINC000247476686 158138668 /nfs/dbraw/zinc/13/86/68/158138668.db2.gz SFVVBGHGELVHDN-KBPBESRZSA-N 2 0 300.406 2.681 20 0 DFADRP CCN(C(=O)CN1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1)C1CCCCC1 ZINC000247991346 158156598 /nfs/dbraw/zinc/15/65/98/158156598.db2.gz JLDUILXEPLZZJI-WMZOPIPTSA-N 2 0 321.509 2.584 20 0 DFADRP Cc1ccccc1NC(=O)CC[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000248035595 158158561 /nfs/dbraw/zinc/15/85/61/158158561.db2.gz RLFXKAIIVBLICJ-WMZOPIPTSA-N 2 0 315.461 2.740 20 0 DFADRP C[C@H]([NH2+]C[C@H]1CCC[C@@H](O)C1)c1ccc(OCC[NH+](C)C)cc1 ZINC000248130059 158162132 /nfs/dbraw/zinc/16/21/32/158162132.db2.gz OIKDPYJRFPBDAX-XYJFISCASA-N 2 0 320.477 2.829 20 0 DFADRP c1cnn(CC[NH2+][C@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)c1 ZINC000248396486 158172577 /nfs/dbraw/zinc/17/25/77/158172577.db2.gz HCZLPAZYDSNBDM-UFYCRDLUSA-N 2 0 324.472 2.773 20 0 DFADRP CC(C)[C@](C)(O)C[NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]12 ZINC000248414054 158173276 /nfs/dbraw/zinc/17/32/76/158173276.db2.gz MBEMJSNVAZOCAI-UAFMIMERSA-N 2 0 316.489 2.894 20 0 DFADRP O[C@@H]1CCCC[C@H]1[NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]12 ZINC000248583125 158186325 /nfs/dbraw/zinc/18/63/25/158186325.db2.gz WOBKMHWOVIVDIS-USYVTKNRSA-N 2 0 314.473 2.790 20 0 DFADRP OCCCCC[NH2+][C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000248751051 158200320 /nfs/dbraw/zinc/20/03/20/158200320.db2.gz OMBFXQFRLQQCBP-GBESFXJTSA-N 2 0 302.462 2.649 20 0 DFADRP C[C@@H]([NH2+]C[C@H](O)C[NH+]1CCCCC1)[C@@H]1C[C@H]1c1ccccc1 ZINC000283405289 158214296 /nfs/dbraw/zinc/21/42/96/158214296.db2.gz QPCOVHZSKJNPBB-BVBHFADKSA-N 2 0 302.462 2.615 20 0 DFADRP C[C@@H](c1ccccc1)[N@@H+]1CCN(C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000355027985 158256388 /nfs/dbraw/zinc/25/63/88/158256388.db2.gz FLYCAQNKZOBOTQ-SJORKVTESA-N 2 0 301.478 2.848 20 0 DFADRP C[C@H]1CCC[C@@H]([NH+]2CCC([NH2+]CCc3ccn(C)n3)CC2)C1 ZINC000355042187 158260078 /nfs/dbraw/zinc/26/00/78/158260078.db2.gz SBNMTBOMKRBGAE-MAUKXSAKSA-N 2 0 304.482 2.595 20 0 DFADRP CC[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000355060021 158263323 /nfs/dbraw/zinc/26/33/23/158263323.db2.gz UMWZWVUTPWMRIL-CGTJXYLNSA-N 2 0 317.477 2.668 20 0 DFADRP C[C@@H](C1CCC1)[N@H+](C)CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000355067704 158266745 /nfs/dbraw/zinc/26/67/45/158266745.db2.gz YBHHTWDDCLYDAF-YJBOKZPZSA-N 2 0 317.477 2.526 20 0 DFADRP Cn1ccc(CC[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)n1 ZINC000355072857 158267351 /nfs/dbraw/zinc/26/73/51/158267351.db2.gz YBGWVOTYQJIRKR-IHWFROFDSA-N 2 0 324.472 2.748 20 0 DFADRP COC(=O)C[C@@H]1CC[C@@H]([NH2+]CC(C)(C)C[NH+]2CCCC2)[C@@H]1C ZINC000355143230 158284283 /nfs/dbraw/zinc/28/42/83/158284283.db2.gz ZRPLVVKIIPQDKK-OWCLPIDISA-N 2 0 310.482 2.676 20 0 DFADRP C[C@H]1C[C@@H](C[NH+]2CCC(CCC[NH+]3CCOCC3)CC2)CCO1 ZINC000356936765 158325954 /nfs/dbraw/zinc/32/59/54/158325954.db2.gz MRDAMMZALKCYNI-HKUYNNGSSA-N 2 0 324.509 2.626 20 0 DFADRP CC[C@@H]1C[C@@H](C[NH+]2CCC(CC[NH+]3CCOCC3)CC2)CCO1 ZINC000356968606 158334552 /nfs/dbraw/zinc/33/45/52/158334552.db2.gz QFHHXTUMVAYONR-RBUKOAKNSA-N 2 0 324.509 2.626 20 0 DFADRP CC[C@@H]1C[C@H](C[N@@H+]2CC[C@H](OCC[NH+](CC)CC)C2)CCO1 ZINC000357001440 158343943 /nfs/dbraw/zinc/34/39/43/158343943.db2.gz XSAUMFKGRRMBFA-KURKYZTESA-N 2 0 312.498 2.624 20 0 DFADRP CCOc1ccc(CCC2CC[NH+](CCOCC[NH3+])CC2)cc1 ZINC000357025501 158350632 /nfs/dbraw/zinc/35/06/32/158350632.db2.gz HHZYGEMOEUJZKF-UHFFFAOYSA-N 2 0 320.477 2.705 20 0 DFADRP CCN(CC)c1ncc(C[NH+]2CCC([C@H]3CC[NH2+]C3)CC2)s1 ZINC000357041702 158355077 /nfs/dbraw/zinc/35/50/77/158355077.db2.gz DACMDLZTPUYFKS-HNNXBMFYSA-N 2 0 322.522 2.811 20 0 DFADRP COc1cccc(CN2CC[C@H]3C[NH2+]C[C@H]3C2)c1OC(C)C ZINC000357053428 158357026 /nfs/dbraw/zinc/35/70/26/158357026.db2.gz OTFZTHTZFNEUDT-HOCLYGCPSA-N 2 0 304.434 2.524 20 0 DFADRP c1cn(-c2ccccc2)nc1C[NH+]1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000357059359 158358995 /nfs/dbraw/zinc/35/89/95/158358995.db2.gz WZCUWLIKVRICGG-KRWDZBQOSA-N 2 0 310.445 2.694 20 0 DFADRP C[C@H]1CCCC[N@@H+]1CCC(=O)NCCCCC[NH+]1CCCC1 ZINC000357063085 158359059 /nfs/dbraw/zinc/35/90/59/158359059.db2.gz XQLXFUKYWSBGOW-KRWDZBQOSA-N 2 0 309.498 2.633 20 0 DFADRP Cc1cccc(NC(=O)C[NH+]2CCC([C@H]3CC[NH2+]C3)CC2)c1C ZINC000357067373 158359973 /nfs/dbraw/zinc/35/99/73/158359973.db2.gz CQJWXFFMLZDBFO-KRWDZBQOSA-N 2 0 315.461 2.563 20 0 DFADRP CC[N@H+](CCC1CC[NH+](CCn2ccnc2)CC1)CC1CC1 ZINC000357088296 158363325 /nfs/dbraw/zinc/36/33/25/158363325.db2.gz RHRAPNPRXCAJFL-UHFFFAOYSA-N 2 0 304.482 2.717 20 0 DFADRP C[C@H]([NH2+][C@H]1CCO[C@H](C)C1)c1cccc(OCC[NH+](C)C)c1 ZINC000358297858 158370142 /nfs/dbraw/zinc/37/01/42/158370142.db2.gz KKWXCGJQRZBYGO-VYDXJSESSA-N 2 0 306.450 2.845 20 0 DFADRP COc1ccc(OC)c(CCC[NH2+][C@@H]2CC[N@H+](C)C[C@@H]2C)c1 ZINC000358367580 158371698 /nfs/dbraw/zinc/37/16/98/158371698.db2.gz MRFIWIQJUJYEBP-WMLDXEAASA-N 2 0 306.450 2.566 20 0 DFADRP c1cc(-c2nc(C[N@@H+]3CCC4(C3)CC[NH2+]CC4)cs2)co1 ZINC000358498540 158382339 /nfs/dbraw/zinc/38/23/39/158382339.db2.gz CRYWIQOOKOFDQV-UHFFFAOYSA-N 2 0 303.431 2.979 20 0 DFADRP Cc1ccc(C[NH+]2CCC(C)(C[NH+]3CCN(C)CC3)CC2)s1 ZINC000368293631 158628343 /nfs/dbraw/zinc/62/83/43/158628343.db2.gz KOAYKPZWHMAYCE-UHFFFAOYSA-N 2 0 321.534 2.906 20 0 DFADRP CC[C@@H](F)C[NH+]1CCC(CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000440777282 297164516 /nfs/dbraw/zinc/16/45/16/297164516.db2.gz UHVKKNKWCTUAQN-HLLBOEOZSA-N 2 0 300.462 2.946 20 0 DFADRP CC[NH2+]CC1CC[NH+]([C@H](C)C(=O)Nc2ccc(C)cc2C)CC1 ZINC000430581397 296797478 /nfs/dbraw/zinc/79/74/78/296797478.db2.gz IUJVGQXRGKPLHB-MRXNPFEDSA-N 2 0 317.477 2.952 20 0 DFADRP C[C@@H](CCc1ccc(F)cc1)[NH2+][C@@H](C)CCN1CC[NH+](C)CC1 ZINC000186577260 286813762 /nfs/dbraw/zinc/81/37/62/286813762.db2.gz YHGUFKWVJMPEGR-IRXDYDNUSA-N 2 0 321.484 2.762 20 0 DFADRP C[NH2+]CC1CC[NH+](Cc2cc(-c3ccc(F)cc3)no2)CC1 ZINC000430926470 296812402 /nfs/dbraw/zinc/81/24/02/296812402.db2.gz GMZRCECEYOBVCJ-UHFFFAOYSA-N 2 0 303.381 2.912 20 0 DFADRP c1cn(-c2csc(C[NH+]3CCC4(CC[NH2+]C4)CC3)c2)cn1 ZINC000430905578 296811384 /nfs/dbraw/zinc/81/13/84/296811384.db2.gz FSXWBKBAKXPHNM-UHFFFAOYSA-N 2 0 302.447 2.509 20 0 DFADRP Cc1ccc(C)c(NC(=O)[C@H](C)[NH+]2CCC([C@H](C)[NH3+])CC2)c1 ZINC000430919503 296811946 /nfs/dbraw/zinc/81/19/46/296811946.db2.gz QUSMUMZXLKKXDG-GJZGRUSLSA-N 2 0 303.450 2.690 20 0 DFADRP COc1ccc(-c2cnc(C[NH+]3CCC([C@H](C)[NH3+])CC3)o2)cc1 ZINC000430943530 296813728 /nfs/dbraw/zinc/81/37/28/296813728.db2.gz PIOFRDPGILHYCG-ZDUSSCGKSA-N 2 0 315.417 2.909 20 0 DFADRP C[C@H]([NH3+])C1CC[NH+](CC(=O)N(C2CC2)C2CCC(C)CC2)CC1 ZINC000430943424 296813937 /nfs/dbraw/zinc/81/39/37/296813937.db2.gz IBLBBYZCHMCZLR-CKDBGZEDSA-N 2 0 321.509 2.615 20 0 DFADRP Cn1c2cc(Cl)ccc2nc1C[NH+]1CCC2(CC[NH2+]C2)CC1 ZINC000430968262 296816057 /nfs/dbraw/zinc/81/60/57/296816057.db2.gz WLCWKIXRQYKCFW-UHFFFAOYSA-N 2 0 318.852 2.802 20 0 DFADRP CC(C)N(C(=O)C[NH+]1CCC2(CC[NH2+]C2)CC1)c1ccccc1 ZINC000431041267 296819116 /nfs/dbraw/zinc/81/91/16/296819116.db2.gz SBSWQFJDZWICMO-UHFFFAOYSA-N 2 0 315.461 2.504 20 0 DFADRP C[NH+](C)[C@@H](CC(=O)NCCC[NH+]1CCCCC1)c1ccccc1 ZINC000431627909 296843557 /nfs/dbraw/zinc/84/35/57/296843557.db2.gz KXZQHHOOJGSUPT-SFHVURJKSA-N 2 0 317.477 2.672 20 0 DFADRP C[C@@H](C[NH+]1CCCCC1)NC(=O)C[C@H](c1ccccc1)[NH+](C)C ZINC000431914000 296855299 /nfs/dbraw/zinc/85/52/99/296855299.db2.gz PBPKFIOVKPENNX-FUHWJXTLSA-N 2 0 317.477 2.670 20 0 DFADRP C[C@@H](c1ccc(F)cc1F)N1CC[NH+](CC2CC[NH2+]CC2)CC1 ZINC000178980300 287137083 /nfs/dbraw/zinc/13/70/83/287137083.db2.gz IEXKFDRGIDCQGF-AWEZNQCLSA-N 2 0 323.431 2.643 20 0 DFADRP COc1cc([C@H](C)[NH2+]CC[C@H]2CCC[N@@H+]2C)cc(OC)c1OC ZINC000271630524 209075874 /nfs/dbraw/zinc/07/58/74/209075874.db2.gz BJWFTMNIODQMBS-DZGCQCFKSA-N 2 0 322.449 2.847 20 0 DFADRP CC[NH+](CC)Cc1cccc(NC(=O)C[N@H+](CC)C2CC2)c1 ZINC000130907236 196122309 /nfs/dbraw/zinc/12/23/09/196122309.db2.gz PVPQKMOHUCZGNG-UHFFFAOYSA-N 2 0 303.450 2.951 20 0 DFADRP COC[C@H](Cc1ccccc1)[NH2+]C1CC[NH+](CC(C)C)CC1 ZINC000131201406 196149243 /nfs/dbraw/zinc/14/92/43/196149243.db2.gz VRACCNMREJYLAH-IBGZPJMESA-N 2 0 304.478 2.954 20 0 DFADRP COC[C@@H](Cc1ccccc1)[NH2+]C1CC[NH+](CC(C)C)CC1 ZINC000131201625 196149297 /nfs/dbraw/zinc/14/92/97/196149297.db2.gz VRACCNMREJYLAH-LJQANCHMSA-N 2 0 304.478 2.954 20 0 DFADRP C[C@H]([NH2+]CC(C)(C)C[NH+](C)C)c1ccc(-n2cncn2)cc1 ZINC000132175321 196232658 /nfs/dbraw/zinc/23/26/58/196232658.db2.gz YWQYZUUEGZEZOK-AWEZNQCLSA-N 2 0 301.438 2.506 20 0 DFADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+][C@@H]1CCCN(Cc2ccccc2)C1 ZINC000132796630 196285485 /nfs/dbraw/zinc/28/54/85/196285485.db2.gz FHNBUZSPLKENFS-HNBVOPMISA-N 2 0 315.505 2.969 20 0 DFADRP COCCOCCCC[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000133135985 196314112 /nfs/dbraw/zinc/31/41/12/196314112.db2.gz AZQRNJPQODIIDJ-UHFFFAOYSA-N 2 0 312.498 2.816 20 0 DFADRP COc1ccccc1N1CC[C@@H](C[NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)C1 ZINC000133261550 196325345 /nfs/dbraw/zinc/32/53/45/196325345.db2.gz RDXPZZADBCRWDS-IKGGRYGDSA-N 2 0 317.477 2.594 20 0 DFADRP C[C@@H]([NH2+]CC1(O)CCCCC1)c1cccc(OCC[NH+](C)C)c1 ZINC000134053667 196357426 /nfs/dbraw/zinc/35/74/26/196357426.db2.gz PGAAQTIDZUSVGF-MRXNPFEDSA-N 2 0 320.477 2.973 20 0 DFADRP C[C@@H]1CCCC[C@@H]1C[N@H+](C)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000377633103 287282805 /nfs/dbraw/zinc/28/28/05/287282805.db2.gz UVFHYBGRLHPFGT-LMMKCTJWSA-N 2 0 307.526 2.913 20 0 DFADRP C[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCCN(Cc2cnc3n2CCC3)C1 ZINC000667534385 543624512 /nfs/dbraw/zinc/62/45/12/543624512.db2.gz WEDVIUIBPGXCIJ-OWCLPIDISA-N 2 0 302.466 2.667 20 0 DFADRP C[N@H+](Cc1ccnn1-c1cc[nH+]cc1)C1Cc2ccccc2C1 ZINC000667547786 543628183 /nfs/dbraw/zinc/62/81/83/543628183.db2.gz YBHOSWBSZBHLEA-UHFFFAOYSA-N 2 0 304.397 2.867 20 0 DFADRP CN1CCN(Cc2ccnn2-c2cc[nH+]cc2)Cc2ccccc21 ZINC000667594662 543638079 /nfs/dbraw/zinc/63/80/79/543638079.db2.gz KLDOMKSWUHCFTN-UHFFFAOYSA-N 2 0 319.412 2.719 20 0 DFADRP C[N@@H+](Cc1ccc(O[C@H]2CCOC2)cc1)CC1CC[NH+](C)CC1 ZINC000667597407 543638675 /nfs/dbraw/zinc/63/86/75/543638675.db2.gz LWVBMHGRESBIGD-IBGZPJMESA-N 2 0 318.461 2.628 20 0 DFADRP CCOc1ccc(CN2CCC([N@H+](C)CCCO)CC2)c(C)c1 ZINC000667637040 543646723 /nfs/dbraw/zinc/64/67/23/543646723.db2.gz FYEXWKQJEOKHTD-UHFFFAOYSA-N 2 0 320.477 2.672 20 0 DFADRP C[NH+](C)CC1CC[NH+](Cc2ccc(O[C@@H]3CCOC3)cc2)CC1 ZINC000667501702 543619489 /nfs/dbraw/zinc/61/94/89/543619489.db2.gz HOSUYSCTGVMXFZ-LJQANCHMSA-N 2 0 318.461 2.628 20 0 DFADRP C[NH+](C)CCOc1ccc(CC[NH2+][C@H]2CCC[C@@H]3C[C@@H]32)cc1 ZINC000667847707 543691554 /nfs/dbraw/zinc/69/15/54/543691554.db2.gz UBIIQZXPIINDDF-NEWSRXKRSA-N 2 0 302.462 2.948 20 0 DFADRP c1nc2n(c1C[NH+]1CCC(CCC[NH+]3CCCC3)CC1)CCC2 ZINC000667680355 543658573 /nfs/dbraw/zinc/65/85/73/543658573.db2.gz DVXZPUPQMCNXKY-UHFFFAOYSA-N 2 0 316.493 2.917 20 0 DFADRP [NH3+]Cc1cccc(NC(=O)N2CC[NH+](C3CCCCC3)CC2)c1 ZINC000667726687 543667746 /nfs/dbraw/zinc/66/77/46/543667746.db2.gz WQPODFURANNNOT-UHFFFAOYSA-N 2 0 316.449 2.628 20 0 DFADRP CC(C)(C)CC[NH+]1CCN(C(=O)Nc2cccc(C[NH3+])c2)CC1 ZINC000667731459 543668618 /nfs/dbraw/zinc/66/86/18/543668618.db2.gz UKEVPHXPCDBLBJ-UHFFFAOYSA-N 2 0 318.465 2.731 20 0 DFADRP C[NH+](C)[C@@H](CNC(=O)Nc1cccc(C[NH3+])c1)c1ccccc1 ZINC000667732300 543668925 /nfs/dbraw/zinc/66/89/25/543668925.db2.gz FSPBTXPCSVVXSB-KRWDZBQOSA-N 2 0 312.417 2.570 20 0 DFADRP C[C@H](NC(=O)C[C@H](c1ccccc1)[NH+](C)C)C1CC[NH+](C)CC1 ZINC000667954994 543710106 /nfs/dbraw/zinc/71/01/06/543710106.db2.gz OHKIISWFTGKPAD-MAUKXSAKSA-N 2 0 317.477 2.526 20 0 DFADRP c1cn2c(n1)[C@H]([NH2+]CC1CC[NH+](Cc3ccccc3)CC1)CC2 ZINC000295833448 225293092 /nfs/dbraw/zinc/29/30/92/225293092.db2.gz FBPYAZXXEHVGEV-GOSISDBHSA-N 2 0 310.445 2.830 20 0 DFADRP O=c1ccc2c([nH]1)CCC[C@@H]2[NH2+]Cc1ccnn1-c1cc[nH+]cc1 ZINC000668155196 543751941 /nfs/dbraw/zinc/75/19/41/543751941.db2.gz HJHHBRIKBXLMED-INIZCTEOSA-N 2 0 321.384 2.535 20 0 DFADRP C[N@@H+](Cc1ccc(F)c(F)c1F)C[C@@H]1CCn2ccnc2C1 ZINC000668170080 543757920 /nfs/dbraw/zinc/75/79/20/543757920.db2.gz CFQHCTBNUCTJBV-LLVKDONJSA-N 2 0 309.335 2.995 20 0 DFADRP Cc1ccc2cc(C[N@@H+](C)CCCN(C)CC[NH+](C)C)[nH]c2c1 ZINC000668176203 543760084 /nfs/dbraw/zinc/76/00/84/543760084.db2.gz NATHXVIHRXAGMA-UHFFFAOYSA-N 2 0 316.493 2.792 20 0 DFADRP C[NH+](C)CCCOc1cnccc1C[NH2+][C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000668175225 543760150 /nfs/dbraw/zinc/76/01/50/543760150.db2.gz OUXPLUZQSIUWTP-HYVNUMGLSA-N 2 0 303.450 2.690 20 0 DFADRP CN(Cc1cnc2n1CCC2)[C@H](CO)c1ccc(Cl)cc1 ZINC000668211051 543768174 /nfs/dbraw/zinc/76/81/74/543768174.db2.gz VBIASYPJIMQMGG-OAHLLOKOSA-N 2 0 305.809 2.648 20 0 DFADRP CC(C)OC1CC([NH2+]CC2CC[NH+](Cc3ccncc3)CC2)C1 ZINC000668512814 543816637 /nfs/dbraw/zinc/81/66/37/543816637.db2.gz QFNFUBQYABQIIP-UHFFFAOYSA-N 2 0 317.477 2.839 20 0 DFADRP C[C@H](O)C1([NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)CC1 ZINC000668700323 543848343 /nfs/dbraw/zinc/84/83/43/543848343.db2.gz SXXVBDWHZMUBOY-MIGBEJBISA-N 2 0 300.446 2.685 20 0 DFADRP OC[C@@H]1CC[C@H]([NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC000296587715 226024607 /nfs/dbraw/zinc/02/46/07/226024607.db2.gz UUJWOIMNUPRBFO-IVDHNXQLSA-N 2 0 314.473 2.933 20 0 DFADRP C[C@H]1CN(Cc2ccccc2)CC[C@@H]1[NH2+][C@H]1CC[C@@H](CO)C1 ZINC000296633590 226069564 /nfs/dbraw/zinc/06/95/64/226069564.db2.gz XOOHZTSLWBLWQZ-NQYYFHDYSA-N 2 0 302.462 2.648 20 0 DFADRP C[C@@H]1CCC[C@@H](C[NH+]2CCC(C[NH+]3CCN(C)CC3)CC2)C1 ZINC000367671527 287394423 /nfs/dbraw/zinc/39/44/23/287394423.db2.gz PPYQJHUJKFFSLU-IEBWSBKVSA-N 2 0 307.526 2.772 20 0 DFADRP CC[C@@H](Cc1cccs1)[NH2+]CCN1CC[N@H+](C)C(C)(C)C1 ZINC000669618857 543976150 /nfs/dbraw/zinc/97/61/50/543976150.db2.gz MWQPZUBIIKWXQW-HNNXBMFYSA-N 2 0 309.523 2.685 20 0 DFADRP C[C@@H]([NH2+]CCCC[NH+]1CCOCC1)[C@@H]1C[C@H]1c1ccccc1 ZINC000670153842 544025376 /nfs/dbraw/zinc/02/53/76/544025376.db2.gz LJPORTAUAHZJCB-NEWSRXKRSA-N 2 0 302.462 2.881 20 0 DFADRP Cc1oc(C)c(C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)c1C ZINC000670787814 544050631 /nfs/dbraw/zinc/05/06/31/544050631.db2.gz PTDRKYFOQGBEAM-UHFFFAOYSA-N 2 0 323.481 2.550 20 0 DFADRP COCC[N@H+](C)CCCC1CC[NH+](Cc2oc(C)nc2C)CC1 ZINC000670991460 544054355 /nfs/dbraw/zinc/05/43/55/544054355.db2.gz XNPFIQZHALSGKT-UHFFFAOYSA-N 2 0 323.481 2.862 20 0 DFADRP C[NH+](C)CCOc1ccc(C[NH2+]C2CCC([NH+](C)C)CC2)cc1 ZINC000671741581 544105436 /nfs/dbraw/zinc/10/54/36/544105436.db2.gz HROCYQVDCSYTRP-UHFFFAOYSA-N 3 0 319.493 2.589 20 0 DFADRP COC1(C[NH2+]C2CCN(c3cc[nH+]cc3)CC2)CCCCC1 ZINC000297359128 227061331 /nfs/dbraw/zinc/06/13/31/227061331.db2.gz FSJDMKBQKCWVBM-UHFFFAOYSA-N 2 0 303.450 2.989 20 0 DFADRP Cc1ccccc1[C@H]([C@H](C)NC(=O)[C@H]1CCCC[N@@H+]1C)[NH+](C)C ZINC000673156179 544170831 /nfs/dbraw/zinc/17/08/31/544170831.db2.gz RDTZYOUKQVMHLQ-JQHSSLGASA-N 2 0 317.477 2.587 20 0 DFADRP C[C@H]1C[C@H](C)C[NH+](CCCC[NH2+]Cc2c[nH]c3nccnc23)C1 ZINC000290911538 222015895 /nfs/dbraw/zinc/01/58/95/222015895.db2.gz PJYGIDJNZCOMMX-GJZGRUSLSA-N 2 0 315.465 2.806 20 0 DFADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]C[C@H]1CCN(c2ccccc2F)C1 ZINC000291133516 222162929 /nfs/dbraw/zinc/16/29/29/222162929.db2.gz HAUWVMBMBIXFBG-YFHUEUNASA-N 2 0 319.468 2.970 20 0 DFADRP C[C@@H]1C[C@@H]([NH2+]C[C@H]2CCN(c3ccccc3F)C2)CC[N@@H+]1C ZINC000291221037 222235447 /nfs/dbraw/zinc/23/54/47/222235447.db2.gz NJWJXNJCLUTSOL-OAGGEKHMSA-N 2 0 305.441 2.724 20 0 DFADRP CC[NH+](CC)Cc1ccc(C(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)o1 ZINC000673937366 544209166 /nfs/dbraw/zinc/20/91/66/544209166.db2.gz RCBDRQPEIFQTPA-AWEZNQCLSA-N 2 0 323.481 2.828 20 0 DFADRP CC[NH+](CC)Cc1ccc(C(=O)N[C@H]2C[N@H+](CC)C[C@@H]2C)cc1 ZINC000674824597 544264010 /nfs/dbraw/zinc/26/40/10/544264010.db2.gz AJSWOOQQHZPZGY-YJBOKZPZSA-N 2 0 317.477 2.598 20 0 DFADRP CCC[NH+]1CCC([NH2+]CCc2ccc(OC)cc2OC)CC1 ZINC000675788343 544336663 /nfs/dbraw/zinc/33/66/63/544336663.db2.gz BQVUFXJAXIHTMT-UHFFFAOYSA-N 2 0 306.450 2.710 20 0 DFADRP C[C@@H]([NH2+]Cc1ccc(Cn2cccn2)cc1)C1CC[NH+](C)CC1 ZINC000675736265 544332356 /nfs/dbraw/zinc/33/23/56/544332356.db2.gz NUGXPWNXZSSBIB-MRXNPFEDSA-N 2 0 312.461 2.751 20 0 DFADRP C[C@H]([NH2+]Cc1ccc(Cn2cccn2)cc1)C1CC[NH+](C)CC1 ZINC000675736264 544332658 /nfs/dbraw/zinc/33/26/58/544332658.db2.gz NUGXPWNXZSSBIB-INIZCTEOSA-N 2 0 312.461 2.751 20 0 DFADRP C[NH+]1CCN(C(C)(C)C[NH2+][C@H]2CCc3c2cccc3Cl)CC1 ZINC000675741905 544332780 /nfs/dbraw/zinc/33/27/80/544332780.db2.gz JHDPJRANGOHSSE-KRWDZBQOSA-N 2 0 321.896 2.943 20 0 DFADRP C[C@H]([NH2+]Cc1ccc(N2CCCCC2)nc1)C1CC[NH+](C)CC1 ZINC000675751435 544333584 /nfs/dbraw/zinc/33/35/84/544333584.db2.gz IBOALXHOAIODDF-INIZCTEOSA-N 2 0 316.493 2.892 20 0 DFADRP C[C@@H]([NH2+][C@@H](CC(=O)N(C)C)c1ccccc1)C1CC[NH+](C)CC1 ZINC000675770036 544334917 /nfs/dbraw/zinc/33/49/17/544334917.db2.gz PCAOHBRRVONUDA-QAPCUYQASA-N 2 0 317.477 2.526 20 0 DFADRP C[NH+]1CCC(N2CC[C@@H]([NH2+][C@H]3CCc4c3cccc4F)C2)CC1 ZINC000675871522 544341316 /nfs/dbraw/zinc/34/13/16/544341316.db2.gz FLSZNBCIFXBRQZ-KUHUBIRLSA-N 2 0 317.452 2.571 20 0 DFADRP Cc1c(C[NH+]2CCC(C[NH+]3CCCCCC3)CC2)cnn1C ZINC000675884110 544341793 /nfs/dbraw/zinc/34/17/93/544341793.db2.gz GWOXJOSUVNFVON-UHFFFAOYSA-N 2 0 304.482 2.817 20 0 DFADRP C[C@H]([NH2+][C@@H](CO)CC1CC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000681394921 545637464 /nfs/dbraw/zinc/63/74/64/545637464.db2.gz XIQBLJNWJPGUTO-ZYSHUDEJSA-N 2 0 302.462 2.648 20 0 DFADRP COc1cccc(C[N@@H+]2CCC[C@@H](CC[NH3+])C2)c1OC(F)F ZINC000442923926 297211233 /nfs/dbraw/zinc/21/12/33/297211233.db2.gz RIKZMOKLPRNZNC-LBPRGKRZSA-N 2 0 314.376 2.857 20 0 DFADRP C[NH+](C)CCCC[NH2+][C@H]1CN(Cc2ccccc2)C(C)(C)C1 ZINC000677749195 544535938 /nfs/dbraw/zinc/53/59/38/544535938.db2.gz IYYOOWNICNZHEQ-GOSISDBHSA-N 2 0 303.494 2.971 20 0 DFADRP CC[N@@H+]1CC[C@@H](CN[C@@H]2C[NH+](Cc3ccccc3)C(C)(C)C2)C1 ZINC000677749343 544536191 /nfs/dbraw/zinc/53/61/91/544536191.db2.gz YKFKUZWDBGPYMZ-OALUTQOASA-N 2 0 315.505 2.971 20 0 DFADRP C[C@@H]1C[C@H](C)CN(CC[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C23CCCC3)C1 ZINC000677645765 544515374 /nfs/dbraw/zinc/51/53/74/544515374.db2.gz MAKSMFOVEFNTEP-RZFLPCETSA-N 2 0 306.494 2.902 20 0 DFADRP CC[NH+](CC)[C@@H]1CCN(Cc2ccc(OCC[NH+](C)C)cc2)C1 ZINC000678132694 544606914 /nfs/dbraw/zinc/60/69/14/544606914.db2.gz KZFPRVAMCMSBKN-GOSISDBHSA-N 2 0 319.493 2.543 20 0 DFADRP C[N@@H+]1CCC[C@H](N2CC[NH+](C[C@H]3C[C@H]3c3ccccc3)CC2)C1 ZINC000678259079 544634593 /nfs/dbraw/zinc/63/45/93/544634593.db2.gz YPYTUFNPRRRALY-AABGKKOBSA-N 2 0 313.489 2.502 20 0 DFADRP C[NH+](C)CC(C)(C)CNC(=O)c1cccc(C[NH+]2CCCC2)c1 ZINC000299218769 229001468 /nfs/dbraw/zinc/00/14/68/229001468.db2.gz KNBPYCAKFKUDMU-UHFFFAOYSA-N 2 0 317.477 2.600 20 0 DFADRP C[N@@H+]1CCC[C@H](N2CC[NH+](C[C@@H]3CCCC(C)(C)C3)CC2)C1 ZINC000678259010 544635145 /nfs/dbraw/zinc/63/51/45/544635145.db2.gz VRCNWWVKPMDVIC-MSOLQXFVSA-N 2 0 307.526 2.915 20 0 DFADRP c1n[nH]cc1C[NH+]1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000678295344 544645849 /nfs/dbraw/zinc/64/58/49/544645849.db2.gz TXOXIONMZIOZCU-UHFFFAOYSA-N 2 0 310.445 2.898 20 0 DFADRP C[N@H+](CCC1CCN(c2cc[nH+]cc2)CC1)[C@H]1CCCOC1 ZINC000678465397 544678728 /nfs/dbraw/zinc/67/87/28/544678728.db2.gz RKRZUMJLUNTYJS-SFHVURJKSA-N 2 0 303.450 2.799 20 0 DFADRP CC[N@@H+]1C[C@@H](C)N(Cc2ccc(OCC[NH+](C)C)cc2)C[C@H]1C ZINC000678272214 544640204 /nfs/dbraw/zinc/64/02/04/544640204.db2.gz CODNHEQWKWHXOY-IAGOWNOFSA-N 2 0 319.493 2.542 20 0 DFADRP CC[N@@H+]1CC[C@H](N(C)Cc2nn(C)c3ccccc23)C[C@@H]1C ZINC000678276582 544640700 /nfs/dbraw/zinc/64/07/00/544640700.db2.gz JSTGGTLUUXCGNQ-GJZGRUSLSA-N 2 0 300.450 2.878 20 0 DFADRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H]2CCC[C@@H](OC)C2)[C@H](C)C1 ZINC000678603060 544699972 /nfs/dbraw/zinc/69/99/72/544699972.db2.gz IUGGCZFXYLAOHA-TVFCKZIOSA-N 2 0 312.498 2.671 20 0 DFADRP C[C@H]1CCc2ccccc2[C@@H]1[NH2+]CCCN1CCC[N@H+](C)CC1 ZINC000678768612 544717920 /nfs/dbraw/zinc/71/79/20/544717920.db2.gz DHOPXEIFLXJQQV-FXAWDEMLSA-N 2 0 315.505 2.927 20 0 DFADRP C[C@H]1CCc2ccccc2[C@H]1[NH2+]CCCN1CCC[N@H+](C)CC1 ZINC000678768613 544718390 /nfs/dbraw/zinc/71/83/90/544718390.db2.gz DHOPXEIFLXJQQV-PXNSSMCTSA-N 2 0 315.505 2.927 20 0 DFADRP C[NH+]1CCN(C(C)(C)C[NH2+][C@H]2CCCc3ccc(F)cc32)CC1 ZINC000678923421 544749471 /nfs/dbraw/zinc/74/94/71/544749471.db2.gz MKXYPGFUSXOHDD-SFHVURJKSA-N 2 0 319.468 2.819 20 0 DFADRP Cc1cc(N2CC[NH+](C)CC2)ccc1N[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000678999382 544766594 /nfs/dbraw/zinc/76/65/94/544766594.db2.gz AONBIORCUATUGP-SJORKVTESA-N 2 0 316.493 2.641 20 0 DFADRP Cc1cc(N2CC[NH+](C)CC2)ccc1N[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000678999379 544766641 /nfs/dbraw/zinc/76/66/41/544766641.db2.gz AONBIORCUATUGP-DLBZAZTESA-N 2 0 316.493 2.641 20 0 DFADRP CCc1nc2ccccc2n1CC[NH2+][C@@H]1CC[N@@H+](CC)C[C@@H]1C ZINC000679022447 544770091 /nfs/dbraw/zinc/77/00/91/544770091.db2.gz MVTKRBWESHRQPT-JKSUJKDBSA-N 2 0 314.477 2.919 20 0 DFADRP C[C@H](C(=O)NC[C@@H](c1ccsc1)[NH+](C)C)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000299684759 229331518 /nfs/dbraw/zinc/33/15/18/229331518.db2.gz SFQIFRWKFZKPBV-CTASWTNQSA-N 2 0 323.506 2.728 20 0 DFADRP C[NH+](C)CCOc1ccccc1C[NH2+]Cc1ccc(O)cc1 ZINC000679395290 544848559 /nfs/dbraw/zinc/84/85/59/544848559.db2.gz UAFFOVAOVCISST-UHFFFAOYSA-N 2 0 300.402 2.622 20 0 DFADRP CC[N@@H+]1CC[C@@H](NCc2ccc(C)nc2N2CCCC2)[C@@H](C)C1 ZINC000679723043 544905418 /nfs/dbraw/zinc/90/54/18/544905418.db2.gz HQNHVOXXLIJUGQ-MAUKXSAKSA-N 2 0 316.493 2.810 20 0 DFADRP CO[C@@H]1CCC[NH+](C/C=C\C[N@H+]2CCC[C@@H](OC)CC2)CC1 ZINC000679953312 544932808 /nfs/dbraw/zinc/93/28/08/544932808.db2.gz ICLZLBCFOLQHQY-GRFNRIFCSA-N 2 0 310.482 2.544 20 0 DFADRP COc1ccc2c(c1)CC[C@H]([NH2+][C@@H](C)C1CC[NH+](C)CC1)C2 ZINC000680351981 544995940 /nfs/dbraw/zinc/99/59/40/544995940.db2.gz IMUHCODBBVUKPD-KSSFIOAISA-N 2 0 302.462 2.872 20 0 DFADRP C[C@H]1OCC[C@]1(C)[NH2+]Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000680145901 544963879 /nfs/dbraw/zinc/96/38/79/544963879.db2.gz VMEAESYVSDBHRH-APWZRJJASA-N 2 0 318.461 2.818 20 0 DFADRP C[NH+](C)CCOc1ccc(C[NH2+][C@]2(C)CCO[C@@H]2C2CC2)cc1 ZINC000680148598 544964200 /nfs/dbraw/zinc/96/42/00/544964200.db2.gz FFXSDCGEOJXPLE-RTBURBONSA-N 2 0 318.461 2.674 20 0 DFADRP C[N@H+](CCN1CC[NH+]([C@@H]2C=CCCC2)CC1)Cc1ccccc1 ZINC000066534402 425904763 /nfs/dbraw/zinc/90/47/63/425904763.db2.gz HAJKQNZYVOICBF-HXUWFJFHSA-N 2 0 313.489 2.845 20 0 DFADRP CC(C)[N@H+](C)CC(=O)NCC(C)(C)[NH2+][C@H](C)c1ccccc1 ZINC000068387093 425917495 /nfs/dbraw/zinc/91/74/95/425917495.db2.gz XGAXMWDKHNWLEG-OAHLLOKOSA-N 2 0 305.466 2.572 20 0 DFADRP CN(C)CC[NH+]1CCC(C[NH2+][C@H]2CCCc3ccccc32)CC1 ZINC000124506780 425922821 /nfs/dbraw/zinc/92/28/21/425922821.db2.gz FZLPWGBALSGCAU-FQEVSTJZSA-N 2 0 315.505 2.927 20 0 DFADRP CC[NH+]1CCN([C@H](C)C[NH2+][C@@H]2CCc3cc(Cl)ccc32)CC1 ZINC000155721048 425925243 /nfs/dbraw/zinc/92/52/43/425925243.db2.gz VUNADISEZLBGIO-RDTXWAMCSA-N 2 0 321.896 2.943 20 0 DFADRP CC[NH+]1CCN([C@@H](C)C[NH2+][C@@H]2c3cc(F)ccc3C[C@@H]2C)CC1 ZINC000155762762 425926905 /nfs/dbraw/zinc/92/69/05/425926905.db2.gz XOKNDSBEFHNYDH-DOXZYTNZSA-N 2 0 319.468 2.675 20 0 DFADRP CC[N@@H+]1CC[C@H](C[NH2+]Cc2cc(Br)cs2)C1 ZINC000037484290 425848422 /nfs/dbraw/zinc/84/84/22/425848422.db2.gz XDNYKDQSJHCEHO-SNVBAGLBSA-N 2 0 303.269 2.942 20 0 DFADRP COC(=O)C1CCC([NH2+]C2CC[NH+](C3CCCC3)CC2)CC1 ZINC000192444218 268036673 /nfs/dbraw/zinc/03/66/73/268036673.db2.gz MMDYXSSCIIAGLX-UHFFFAOYSA-N 2 0 308.466 2.715 20 0 DFADRP COC(=O)C1CCC([NH2+]C2CC[NH+](CC3CCCC3)CC2)CC1 ZINC000192440992 268037018 /nfs/dbraw/zinc/03/70/18/268037018.db2.gz KINXBXWFXHYLOC-UHFFFAOYSA-N 2 0 322.493 2.962 20 0 DFADRP CC[C@H]([NH2+]CCCN1CC[NH+](C(C)C)CC1)c1nc(C)cs1 ZINC000192795385 268049196 /nfs/dbraw/zinc/04/91/96/268049196.db2.gz LKCQJMJKSNLEFB-INIZCTEOSA-N 2 0 324.538 2.908 20 0 DFADRP CC[NH+]1CCN([C@H](C)C[NH2+]CC[C@H](C)c2ccccc2)CC1 ZINC000194210673 268095391 /nfs/dbraw/zinc/09/53/91/268095391.db2.gz YIVCFOPOEXZMHJ-ZWKOTPCHSA-N 2 0 303.494 2.796 20 0 DFADRP CCN(CCC[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1)C(=O)OC(C)(C)C ZINC000223170280 268141765 /nfs/dbraw/zinc/14/17/65/268141765.db2.gz PESMTACBVNMYJK-GJZGRUSLSA-N 2 0 313.486 2.706 20 0 DFADRP C[NH+](C)CCCC[NH2+][C@@H]1CCC[C@H]1CNC(=O)OC(C)(C)C ZINC000229093206 268145341 /nfs/dbraw/zinc/14/53/41/268145341.db2.gz BXBOELYOEGAIES-LSDHHAIUSA-N 2 0 313.486 2.611 20 0 DFADRP CC(C)(C)[C@H]([NH3+])C(=O)NCc1ccccc1C[NH+]1CCCCC1 ZINC000236697355 268148394 /nfs/dbraw/zinc/14/83/94/268148394.db2.gz NFVGOQXCXPSDOD-QGZVFWFLSA-N 2 0 317.477 2.662 20 0 DFADRP CC[NH+](CC)[C@@H](CNC(=O)C1(C[NH3+])CCCC1)c1ccsc1 ZINC000236818437 268151078 /nfs/dbraw/zinc/15/10/78/268151078.db2.gz VVNDSWZTBHZJMH-HNNXBMFYSA-N 2 0 323.506 2.766 20 0 DFADRP COCC[C@@](C)(O)C[NH2+]CC(C)(C)C[N@H+](C)Cc1ccccc1 ZINC000266946973 268178542 /nfs/dbraw/zinc/17/85/42/268178542.db2.gz FJHPQMJAIGLCBZ-LJQANCHMSA-N 2 0 322.493 2.522 20 0 DFADRP CC[NH+](CC)[C@H](C(=O)N[C@@H](C)[C@@H]1CCC[NH2+]C1)c1ccccc1 ZINC000269202919 268188421 /nfs/dbraw/zinc/18/84/21/268188421.db2.gz NFAIDYBQDQTLTQ-JQHSSLGASA-N 2 0 317.477 2.574 20 0 DFADRP CC[NH+]1CCC(NC(=O)C[N@H+](C)[C@@H](C)c2ccc(C)cc2)CC1 ZINC000047960024 425872547 /nfs/dbraw/zinc/87/25/47/425872547.db2.gz YBHPZNNNMMRKCF-INIZCTEOSA-N 2 0 317.477 2.588 20 0 DFADRP C=Cc1ccc(C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)cc1 ZINC000274192958 268256572 /nfs/dbraw/zinc/25/65/72/268256572.db2.gz MBFTXFNOOHGMEF-UHFFFAOYSA-N 2 0 317.477 2.675 20 0 DFADRP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)C[C@@H](C)c2ccc(F)cc2)CC1 ZINC000275641552 268260172 /nfs/dbraw/zinc/26/01/72/268260172.db2.gz AOUAAPPYRFKXNU-HZPDHXFCSA-N 2 0 322.468 2.954 20 0 DFADRP C[C@@H](NCc1nnc2n1CCCC2)c1cccc(-n2ccnc2)c1 ZINC000276291881 268261220 /nfs/dbraw/zinc/26/12/20/268261220.db2.gz VSPSOPGFVJQPKI-CQSZACIVSA-N 2 0 322.416 2.651 20 0 DFADRP CC(=O)Nc1cccc([C@H](C)[NH2+]C[C@H]2CCc3nccn3C2)c1 ZINC000277599595 268265688 /nfs/dbraw/zinc/26/56/88/268265688.db2.gz ONDKGUFBSWBPPO-DZGCQCFKSA-N 2 0 312.417 2.755 20 0 DFADRP Cc1cc(C)c(C[NH2+]CCN2CC[N@@H+](C)C(C)(C)C2)cc1C ZINC000282044040 268271100 /nfs/dbraw/zinc/27/11/00/268271100.db2.gz ATLJKOGVNKNEEM-UHFFFAOYSA-N 2 0 303.494 2.727 20 0 DFADRP C[C@](O)(C[NH2+]C1CCN(c2cc[nH+]cc2)CC1)C1CCCCC1 ZINC000298008158 268311674 /nfs/dbraw/zinc/31/16/74/268311674.db2.gz BXIQZWQWAPMNQE-IBGZPJMESA-N 2 0 317.477 2.971 20 0 DFADRP C[C@@](O)(C[NH2+]C1CCN(c2cc[nH+]cc2)CC1)C1CCCCC1 ZINC000298008162 268311822 /nfs/dbraw/zinc/31/18/22/268311822.db2.gz BXIQZWQWAPMNQE-LJQANCHMSA-N 2 0 317.477 2.971 20 0 DFADRP C[C@@H]1CN([C@H]2CC[NH+](Cc3ccccc3)C2)CC[N@@H+](C2CC2)C1 ZINC000298083744 268312561 /nfs/dbraw/zinc/31/25/61/268312561.db2.gz MEIYIVKJVPAAQU-PXNSSMCTSA-N 2 0 313.489 2.677 20 0 DFADRP Cc1cccc2c(N3CC[N@H+](CC(C)(C)O)[C@@H](C)C3)cc[nH+]c12 ZINC000302523823 268324550 /nfs/dbraw/zinc/32/45/50/268324550.db2.gz YXZVOZQPTSMABI-HNNXBMFYSA-N 2 0 313.445 2.825 20 0 DFADRP c1ccc(C[NH+]2CCC(N[C@H]3CC[N@@H+]4CCC[C@H]4C3)CC2)cc1 ZINC000309930811 268336640 /nfs/dbraw/zinc/33/66/40/268336640.db2.gz ZBGNIQPCRAAUQE-PMACEKPBSA-N 2 0 313.489 2.867 20 0 DFADRP Clc1cc(C[N@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)cc2c1OCO2 ZINC000314706980 268341835 /nfs/dbraw/zinc/34/18/35/268341835.db2.gz HJYYNTJVVVIAFH-BETUJISGSA-N 2 0 308.809 2.500 20 0 DFADRP CC[NH+]1CCC(C[NH2+][C@H](C)c2nc3ccccc3n2C)CC1 ZINC000315039976 268341956 /nfs/dbraw/zinc/34/19/56/268341956.db2.gz XZXQJIXGYIHPFV-CQSZACIVSA-N 2 0 300.450 2.956 20 0 DFADRP C[NH+]1CCC(C[NH2+]Cc2cccc(O)c2Br)CC1 ZINC000315567070 268343259 /nfs/dbraw/zinc/34/32/59/268343259.db2.gz NAZZEUHHCCYCCT-UHFFFAOYSA-N 2 0 313.239 2.586 20 0 DFADRP CCOC(=O)N1CCC([NH2+][C@H](C)C[C@@H]2CCCCC[NH2+]2)CC1 ZINC000316478625 268344681 /nfs/dbraw/zinc/34/46/81/268344681.db2.gz ZARPMXUVIYIQJQ-ZBFHGGJFSA-N 2 0 311.470 2.508 20 0 DFADRP O=C([C@H]1CCC[N@@H+]1C1CCCC1)N1CCC(c2ncc[nH]2)CC1 ZINC000333359981 268393600 /nfs/dbraw/zinc/39/36/00/268393600.db2.gz XFZZPHJXJHBDGZ-MRXNPFEDSA-N 2 0 316.449 2.523 20 0 DFADRP CCc1cc(N2CC[NH+]([C@@H](CC)CO)CC2)c2ccccc2[nH+]1 ZINC000125628358 425982709 /nfs/dbraw/zinc/98/27/09/425982709.db2.gz AIRHTSVZDVJCHD-INIZCTEOSA-N 2 0 313.445 2.690 20 0 DFADRP CCC[NH+](CCC)CCCC(=O)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000107351387 425989564 /nfs/dbraw/zinc/98/95/64/425989564.db2.gz AFDXCIYEPAPGAW-KRWDZBQOSA-N 2 0 309.498 2.585 20 0 DFADRP CCc1noc(C2CCC([NH2+][C@@H]3CC[C@@H]4C[NH2+]C[C@@H]4C3)CC2)n1 ZINC000333849535 268420123 /nfs/dbraw/zinc/42/01/23/268420123.db2.gz PTQJHLLOBXNORP-KVDYFSNESA-N 2 0 318.465 2.636 20 0 DFADRP C[N@H+](CCCNC(=O)[C@@H](C1CC1)[NH+]1CCCC1)C1CCCCC1 ZINC000126004533 426000895 /nfs/dbraw/zinc/00/08/95/426000895.db2.gz XXYDNWPXOVCFDH-GOSISDBHSA-N 2 0 321.509 2.632 20 0 DFADRP CCN(C[C@H]1CC[N@H+](CC[C@@H]2CCC[NH+]2C)C1)CC(F)(F)F ZINC000124944918 425946486 /nfs/dbraw/zinc/94/64/86/425946486.db2.gz PTNXZBYJELGRMM-CABCVRRESA-N 2 0 321.431 2.677 20 0 DFADRP C[C@@H]1CCCC[N@@H+]1CCC1CC[NH+](CCN2CCCC2=O)CC1 ZINC000158845477 425948795 /nfs/dbraw/zinc/94/87/95/425948795.db2.gz TUSRGUBGYNFGCP-QGZVFWFLSA-N 2 0 321.509 2.585 20 0 DFADRP CC(C)N(C)C(=O)C[NH+]1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000159020087 425952698 /nfs/dbraw/zinc/95/26/98/425952698.db2.gz PDDMAPTVYPURGV-QGZVFWFLSA-N 2 0 323.525 2.830 20 0 DFADRP CC[N@@H+]1CCCC[C@@H]1C(=O)NCCC[NH+](C)C1CCCCC1 ZINC000104237611 425961253 /nfs/dbraw/zinc/96/12/53/425961253.db2.gz RIXOPXZGYXVEQQ-QGZVFWFLSA-N 2 0 309.498 2.632 20 0 DFADRP CC[N@@H+]1CCCC[C@H]1C(=O)NCCC[NH+](C)C1CCCCC1 ZINC000104237616 425961473 /nfs/dbraw/zinc/96/14/73/425961473.db2.gz RIXOPXZGYXVEQQ-KRWDZBQOSA-N 2 0 309.498 2.632 20 0 DFADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]CCCOCCc1ccccc1 ZINC000125306587 425964971 /nfs/dbraw/zinc/96/49/71/425964971.db2.gz UKFZDGOKTFZOEC-ZHALLVOQSA-N 2 0 304.478 2.954 20 0 DFADRP C[C@@H]([NH2+]CC1CC[NH+](Cc2cccs2)CC1)[C@H]1CCOC1 ZINC000125457869 425972942 /nfs/dbraw/zinc/97/29/42/425972942.db2.gz NXUSYHPXGNKQCF-ZBFHGGJFSA-N 2 0 308.491 2.975 20 0 DFADRP C[C@H]([NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccc2c(c1)OCCO2 ZINC000161619459 426032440 /nfs/dbraw/zinc/03/24/40/426032440.db2.gz YFLKVYJXVLNBTK-NUEKZKHPSA-N 2 0 302.418 2.735 20 0 DFADRP CCC[C@H](C(=O)Nc1ccc(CC[NH+]2CCCC2)cc1)[NH+](C)C ZINC000161753592 426037651 /nfs/dbraw/zinc/03/76/51/426037651.db2.gz JOGMDTYYRFKSJO-GOSISDBHSA-N 2 0 317.477 2.994 20 0 DFADRP CCC[C@H](C(=O)NC[C@H](c1ccco1)[NH+](CC)CC)[NH+](C)C ZINC000161806031 426040156 /nfs/dbraw/zinc/04/01/56/426040156.db2.gz LUWGXJUDMGFAGV-HUUCEWRRSA-N 2 0 309.454 2.509 20 0 DFADRP CCC[C@@H](C(=O)N1CCC[C@@H](C[NH+]2CCC(C)CC2)C1)[NH+](C)C ZINC000161860384 426042970 /nfs/dbraw/zinc/04/29/70/426042970.db2.gz DXLQQXRKLDDLCT-ROUUACIJSA-N 2 0 323.525 2.687 20 0 DFADRP CCC[C@@H](C(=O)NCC(C)(C)[NH2+][C@@H](C)c1ccccc1)[NH+](C)C ZINC000161996492 426048131 /nfs/dbraw/zinc/04/81/31/426048131.db2.gz LKVNIRAOYMRLOZ-RDJZCZTQSA-N 2 0 319.493 2.962 20 0 DFADRP COC(=O)c1cc(C[NH+]2CCC(C[NH+]3CCCC3)CC2)oc1C ZINC000127162281 426054466 /nfs/dbraw/zinc/05/44/66/426054466.db2.gz RCSYLPDPDHTDMO-UHFFFAOYSA-N 2 0 320.433 2.682 20 0 DFADRP C[C@H]([NH2+]CCC[NH+]1CCCCC1)c1ccc(-n2cncn2)cc1 ZINC000162441410 426064907 /nfs/dbraw/zinc/06/49/07/426064907.db2.gz KTBUVGIZBWCUOL-INIZCTEOSA-N 2 0 313.449 2.794 20 0 DFADRP CN(c1ccccc1C[NH+]1CCSCC1)C1CC[NH+](C)CC1 ZINC000126207390 426010126 /nfs/dbraw/zinc/01/01/26/426010126.db2.gz PFMXMPVCRZCNDP-UHFFFAOYSA-N 2 0 319.518 2.766 20 0 DFADRP C[N@@H+](CCC(=O)NCC1CCCCC1)CC[C@H]1CCCC[NH+]1C ZINC000075859933 426088496 /nfs/dbraw/zinc/08/84/96/426088496.db2.gz BBFHKQTUGIBYHC-GOSISDBHSA-N 2 0 323.525 2.879 20 0 DFADRP C[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+]CCc2cnn(C)c2)CC1 ZINC000127932099 426093279 /nfs/dbraw/zinc/09/32/79/426093279.db2.gz RIXXJNZZBGCDJK-CRAIPNDOSA-N 2 0 304.482 2.595 20 0 DFADRP Cc1ccc([C@H](C)[NH2+]CCC[N@@H+]2CCC[C@H](C(N)=O)C2)c(C)c1 ZINC000128130136 426103534 /nfs/dbraw/zinc/10/35/34/426103534.db2.gz QJBZLNYGZYMPEQ-IRXDYDNUSA-N 2 0 317.477 2.541 20 0 DFADRP C[C@H]([NH2+]CCCN1CCC[N@H+](C)CC1)c1ccc(F)cc1F ZINC000128298301 426111642 /nfs/dbraw/zinc/11/16/42/426111642.db2.gz WXKSRXVCAGRDIX-AWEZNQCLSA-N 2 0 311.420 2.643 20 0 DFADRP Cc1cc(C[NH+](C)C)cc(NC(=O)[C@@H](C2CC2)[NH+]2CCCC2)c1 ZINC000128460742 426117545 /nfs/dbraw/zinc/11/75/45/426117545.db2.gz BCEUXRYSSAHQEN-GOSISDBHSA-N 2 0 315.461 2.870 20 0 DFADRP Cc1ccc(C[NH+]2CCCC2)cc1NC(=O)C[N@@H+](C)C(C)C ZINC000128521957 426121016 /nfs/dbraw/zinc/12/10/16/426121016.db2.gz YJLLPOYVFJSBRJ-UHFFFAOYSA-N 2 0 303.450 2.870 20 0 DFADRP COC[C@@H]([NH2+]C[C@@H]1CC[N@H+](CCc2ccccc2)C1)C(C)C ZINC000165329570 426121813 /nfs/dbraw/zinc/12/18/13/426121813.db2.gz IDLCDQKPUQEHLV-RBUKOAKNSA-N 2 0 304.478 2.812 20 0 DFADRP C[C@H](C[NH2+]C1CCN(c2ccccc2)CC1)C[NH+]1CCCC1 ZINC000165308865 426122675 /nfs/dbraw/zinc/12/26/75/426122675.db2.gz IFDFSSQMXOTJLI-QGZVFWFLSA-N 2 0 301.478 2.977 20 0 DFADRP CC[C@@H]([NH2+]CCCN1CCC[N@H+](C)CC1)c1ccccc1OC ZINC000128597693 426124480 /nfs/dbraw/zinc/12/44/80/426124480.db2.gz QLLXJYYZJIUMJQ-GOSISDBHSA-N 2 0 319.493 2.764 20 0 DFADRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@H](C)c1ccc(OC)c(F)c1 ZINC000165968452 426124722 /nfs/dbraw/zinc/12/47/22/426124722.db2.gz KEVYACBVXFBXDU-UKRRQHHQSA-N 2 0 312.429 2.842 20 0 DFADRP CC[C@H]([NH3+])C(=O)NCc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000165883855 426124782 /nfs/dbraw/zinc/12/47/82/426124782.db2.gz SUPXTRMMNWLVSC-SFHVURJKSA-N 2 0 317.477 2.805 20 0 DFADRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@H]1CCCc2nc(C)sc21 ZINC000166027199 426125516 /nfs/dbraw/zinc/12/55/16/426125516.db2.gz KIAACUJKLOEDPT-KGLIPLIRSA-N 2 0 311.495 2.775 20 0 DFADRP CC[NH+]1CCN([C@H](C)C[NH2+][C@@H]2CCCc3ccc(C)cc32)CC1 ZINC000166158392 426125995 /nfs/dbraw/zinc/12/59/95/426125995.db2.gz CDSWTXQNRVWVIS-YLJYHZDGSA-N 2 0 315.505 2.988 20 0 DFADRP CC[NH+]1CCN([C@H](C)C[NH2+][C@H]2CCCc3ccc(C)cc32)CC1 ZINC000166158620 426126310 /nfs/dbraw/zinc/12/63/10/426126310.db2.gz CDSWTXQNRVWVIS-XLIONFOSSA-N 2 0 315.505 2.988 20 0 DFADRP Cc1ccc2c(c1)[C@@H]([NH2+]C[C@@H](C)N1CC[NH+](C)CC1)CCC2 ZINC000166507448 426128700 /nfs/dbraw/zinc/12/87/00/426128700.db2.gz PURWRBKISVODED-APWZRJJASA-N 2 0 301.478 2.598 20 0 DFADRP CCC[C@@H]([NH3+])C(=O)Nc1cccc(C[NH+]2CCSCC2)c1C ZINC000166722225 426128723 /nfs/dbraw/zinc/12/87/23/426128723.db2.gz ZOBSHSNXMHKGQR-OAHLLOKOSA-N 2 0 321.490 2.610 20 0 DFADRP CC[N@H+](Cc1ccc(C(=O)N[C@@H]2CCCC[C@H]2[NH3+])cc1)C1CC1 ZINC000128728087 426130051 /nfs/dbraw/zinc/13/00/51/426130051.db2.gz KXSRRIZCIKTOMX-QZTJIDSGSA-N 2 0 315.461 2.671 20 0 DFADRP CC[C@H](NCCC[N@H+](C)Cc1ccccc1)c1cnn(C)c1 ZINC000162741013 426074619 /nfs/dbraw/zinc/07/46/19/426074619.db2.gz FDKUCANKZJTGQH-SFHVURJKSA-N 2 0 300.450 2.983 20 0 DFADRP C[N@H+](CCCN[C@@H]1CC[NH+]2CCC[C@@H]2C1)Cc1ccccc1 ZINC000127692026 426080316 /nfs/dbraw/zinc/08/03/16/426080316.db2.gz UNXVRGYAUKRFQB-RTBURBONSA-N 2 0 301.478 2.725 20 0 DFADRP CCCC[C@@H](C[NH3+])NC(=O)[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000162891269 426081469 /nfs/dbraw/zinc/08/14/69/426081469.db2.gz KSOFZOUVGOHIMH-ZWKOTPCHSA-N 2 0 317.477 2.675 20 0 DFADRP CCCC[C@H](C[NH3+])NC(=O)c1cccc(C[NH+]2CCCC2)c1 ZINC000162902605 426083064 /nfs/dbraw/zinc/08/30/64/426083064.db2.gz CUQDQDXIWCYHII-QGZVFWFLSA-N 2 0 303.450 2.530 20 0 DFADRP CC[C@H](C)[N@H+](C)CCNC(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000170718345 426146517 /nfs/dbraw/zinc/14/65/17/426146517.db2.gz JOZOCPFUKXUPLU-AWEZNQCLSA-N 2 0 306.454 2.600 20 0 DFADRP CC(C)[C@H](C[NH2+][C@@H]1CCc2cc(F)ccc21)N1CC[NH+](C)CC1 ZINC000132390829 426169883 /nfs/dbraw/zinc/16/98/83/426169883.db2.gz WCEHYOWHYGYLFH-MOPGFXCFSA-N 2 0 319.468 2.675 20 0 DFADRP CC[N@H+](Cc1ccc(C(=O)N2CCC[C@@H]([NH2+]C)C2)cc1)C(C)C ZINC000133573296 426181214 /nfs/dbraw/zinc/18/12/14/426181214.db2.gz QKOJXUKMVADREA-GOSISDBHSA-N 2 0 317.477 2.741 20 0 DFADRP CC(C)OCCC[NH+]1CCC(C[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000171501414 426191582 /nfs/dbraw/zinc/19/15/82/426191582.db2.gz JETWDHJYBRFXOU-IAGOWNOFSA-N 2 0 312.498 2.623 20 0 DFADRP CCCc1ccc(C[N@@H+]2CC[C@H](N3CC[NH+](CC)CC3)C2)cc1 ZINC000171527285 426192283 /nfs/dbraw/zinc/19/22/83/426192283.db2.gz DMPNZBHMZIBXQV-FQEVSTJZSA-N 2 0 315.505 2.851 20 0 DFADRP CCCCOC(=O)[C@H](C)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000134893964 426198644 /nfs/dbraw/zinc/19/86/44/426198644.db2.gz BOVLAOYTBRGDGU-ZMSDIMECSA-N 2 0 308.466 2.667 20 0 DFADRP CC(C)(C)OC(=O)CC[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000134909580 426199090 /nfs/dbraw/zinc/19/90/90/426199090.db2.gz KCYDMNDMBOWMHP-GDBMZVCRSA-N 2 0 308.466 2.667 20 0 DFADRP C[N@H+](CC[C@@H]1CC[NH2+]C1)Cc1csc(Br)c1 ZINC000084385353 426237234 /nfs/dbraw/zinc/23/72/34/426237234.db2.gz ZIBMKODLAFXVGT-JTQLQIEISA-N 2 0 303.269 2.942 20 0 DFADRP Cc1cccc(C)c1NC(=O)CCC[N@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000137413653 426253915 /nfs/dbraw/zinc/25/39/15/426253915.db2.gz CJHPJASMVYGGDB-QGZVFWFLSA-N 2 0 317.477 2.906 20 0 DFADRP Cc1cc(C)cc([C@H](C)[NH2+]C2CCN(CC[NH+](C)C)CC2)c1 ZINC000150947153 426268818 /nfs/dbraw/zinc/26/88/18/426268818.db2.gz VGQKRHDEAPSNDN-KRWDZBQOSA-N 2 0 303.494 2.980 20 0 DFADRP CCc1ccc([C@H](C)[NH2+]C2CCN(CC[NH+](C)C)CC2)cc1 ZINC000150951855 426269055 /nfs/dbraw/zinc/26/90/55/426269055.db2.gz POQFWXVYDGROKD-INIZCTEOSA-N 2 0 303.494 2.926 20 0 DFADRP CC(C)CC[C@@H]1CCC[N@@H+]1CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000135306979 426213394 /nfs/dbraw/zinc/21/33/94/426213394.db2.gz YXYWZCHJFIOAGA-KRWDZBQOSA-N 2 0 321.509 2.630 20 0 DFADRP COc1ccc([C@H](C)[C@H](C)[NH2+]C[C@H](O)C[NH+]2CCCCC2)cc1 ZINC000151308362 426289583 /nfs/dbraw/zinc/28/95/83/426289583.db2.gz ZGFUVJPGZSBLNA-RYRKJORJSA-N 2 0 320.477 2.624 20 0 DFADRP CC(C)Oc1ccc([C@H](C)NC[C@H](O)C[NH+]2CCCCC2)cc1 ZINC000151314233 426289847 /nfs/dbraw/zinc/28/98/47/426289847.db2.gz PNAKBVIHOBOTFQ-WMZOPIPTSA-N 2 0 320.477 2.971 20 0 DFADRP [NH3+][C@@H](CC(=O)NC1CC[NH+](C2CCCC2)CC1)c1ccccc1 ZINC000119459426 426289970 /nfs/dbraw/zinc/28/99/70/426289970.db2.gz UPVUHKJHGRLJJX-SFHVURJKSA-N 2 0 315.461 2.600 20 0 DFADRP C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)C[C@H]([NH3+])c2ccccc2)C1 ZINC000119480581 426291319 /nfs/dbraw/zinc/29/13/19/426291319.db2.gz BMLSHGRBQOFJJN-NUJGCVRESA-N 2 0 317.477 2.561 20 0 DFADRP CCC[N@H+](C)C[C@H]1CCN(Cc2ccc(C(=O)OC)s2)C1 ZINC000119488765 426292102 /nfs/dbraw/zinc/29/21/02/426292102.db2.gz JCZXKILTDYJFAH-CYBMUJFWSA-N 2 0 310.463 2.698 20 0 DFADRP C[C@H]1C[C@H](NC2CC[NH+](C3CC3)CC2)C[N@@H+]1Cc1ccccc1 ZINC000119566798 426297305 /nfs/dbraw/zinc/29/73/05/426297305.db2.gz OUZAJCDLBMRFPK-LPHOPBHVSA-N 2 0 313.489 2.866 20 0 DFADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]CCCN(C)C(=O)OC(C)(C)C ZINC000120258488 426308830 /nfs/dbraw/zinc/30/88/30/426308830.db2.gz RLYXYXLLTWIUJL-KFWWJZLASA-N 2 0 313.486 2.562 20 0 DFADRP C[S@@](=O)c1ccc(C[NH2+]CCCCC[NH+]2CCCC2)cc1 ZINC000339508380 268827191 /nfs/dbraw/zinc/82/71/91/268827191.db2.gz VAZPMNVJJLBADU-OAQYLSRUSA-N 2 0 308.491 2.780 20 0 DFADRP COc1cc([C@H](C)[NH2+]C[C@H]2CCC[N@H+](C)C2)cc(OC)c1OC ZINC000121215039 426325889 /nfs/dbraw/zinc/32/58/89/426325889.db2.gz BGCLXYIUVUFBNK-UONOGXRCSA-N 2 0 322.449 2.705 20 0 DFADRP CC[N@H+](CC(=O)N1CCC[C@H](C[NH+]2CCCCCC2)C1)C1CC1 ZINC000152152413 426329291 /nfs/dbraw/zinc/32/92/91/426329291.db2.gz HZUGLKWCDJDHPJ-QGZVFWFLSA-N 2 0 321.509 2.585 20 0 DFADRP COCCCOc1cccc(C[NH2+][C@@H]2C[C@@H](C)[N@H+](C)C[C@H]2C)c1 ZINC000090719025 426331009 /nfs/dbraw/zinc/33/10/09/426331009.db2.gz OFWMLPAHEWCJLQ-GPMSIDNRSA-N 2 0 320.477 2.920 20 0 DFADRP CC[N@@H+]1CC[C@@H]([NH2+]Cc2cccc(OCCCOC)c2)[C@H](C)C1 ZINC000090718686 426331025 /nfs/dbraw/zinc/33/10/25/426331025.db2.gz ZUWLJUTXGMWZHV-VQIMIIECSA-N 2 0 320.477 2.922 20 0 DFADRP CC[N@@H+]1CC[C@H]([NH2+]CCCc2cc(OC)ccc2OC)[C@H](C)C1 ZINC000090888334 426332910 /nfs/dbraw/zinc/33/29/10/426332910.db2.gz IHGZHAGVMNETSQ-QAPCUYQASA-N 2 0 320.477 2.956 20 0 DFADRP CC(C)C[C@@H](CO)[NH2+][C@H](C)c1ccc(OCC[NH+](C)C)cc1 ZINC000151184031 426282858 /nfs/dbraw/zinc/28/28/58/426282858.db2.gz PQZVCUXJTARPDQ-WBVHZDCISA-N 2 0 308.466 2.685 20 0 DFADRP CC(C)N1CC[C@H](N2CCC[C@H](C[NH+]3CCCCCC3)C2)C1=O ZINC000175174014 426284781 /nfs/dbraw/zinc/28/47/81/426284781.db2.gz QGPDNRBZUHEKDJ-MSOLQXFVSA-N 2 0 321.509 2.584 20 0 DFADRP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]CC1(c2ccccc2)CCOCC1 ZINC000153608911 426394956 /nfs/dbraw/zinc/39/49/56/426394956.db2.gz JQSXHZMOYIWEOC-AEFFLSMTSA-N 2 0 302.462 2.665 20 0 DFADRP C[C@@H]1C[C@@H]([NH2+]CC(C)(C)c2ccc3c(c2)OCO3)CC[N@@H+]1C ZINC000122808863 426396187 /nfs/dbraw/zinc/39/61/87/426396187.db2.gz RMOUVMHZKCVWEL-HIFRSBDPSA-N 2 0 304.434 2.765 20 0 DFADRP COCC[N@H+](C)CCCN[C@@H]1CCCOc2ccc(F)cc21 ZINC000153741360 426402899 /nfs/dbraw/zinc/40/28/99/426402899.db2.gz DBCDEZOFIWOMHV-MRXNPFEDSA-N 2 0 310.413 2.597 20 0 DFADRP COCC[N@H+](C)CCC[NH2+][C@H]1CCCOc2ccc(C)cc21 ZINC000153760965 426404027 /nfs/dbraw/zinc/40/40/27/426404027.db2.gz HIEIKLSVSBGIDF-KRWDZBQOSA-N 2 0 306.450 2.767 20 0 DFADRP C1CC2(C1)[C@@H]([NH2+]C1CC[NH+](C3CCCC3)CC1)[C@@H]1CCO[C@@H]12 ZINC000122115236 426359122 /nfs/dbraw/zinc/35/91/22/426359122.db2.gz YULCEVCKMLNRJC-BZSNNMDCSA-N 2 0 304.478 2.941 20 0 DFADRP CCC[NH+]1CCC([NH2+][C@@H]2CCOC3(CCSCC3)C2)CC1 ZINC000094370368 426361174 /nfs/dbraw/zinc/36/11/74/426361174.db2.gz YDZBROUIENUMST-MRXNPFEDSA-N 2 0 312.523 2.895 20 0 DFADRP CC[C@@H]([NH2+]Cc1ccccc1OCC[NH+](C)C)c1cnn(C)c1 ZINC000122280412 426366424 /nfs/dbraw/zinc/36/64/24/426366424.db2.gz LUUBDLFHEHWHRY-QGZVFWFLSA-N 2 0 316.449 2.601 20 0 DFADRP CC(C)c1cccc2c1OCCC[C@H]2NC[C@@H](O)C[NH+](C)C ZINC000122306852 426367647 /nfs/dbraw/zinc/36/76/47/426367647.db2.gz QCYLSZMPDDAWOI-RHSMWYFYSA-N 2 0 306.450 2.536 20 0 DFADRP CC[NH+](CC)[C@@H](CNC(=O)c1ccc(C[NH3+])o1)c1ccccc1 ZINC000176443919 426382109 /nfs/dbraw/zinc/38/21/09/426382109.db2.gz LTUBEVCSTDOKHS-INIZCTEOSA-N 2 0 315.417 2.551 20 0 DFADRP COC[C@H]([NH2+]Cc1cccc(CN2CCO[C@@H](C)C2)c1)C(C)C ZINC000153492285 426388100 /nfs/dbraw/zinc/38/81/00/426388100.db2.gz PKTMBTXTGPBYKO-LPHOPBHVSA-N 2 0 320.477 2.668 20 0 DFADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1NCCC[NH+]1CCc2ccccc2C1 ZINC000122779997 426393026 /nfs/dbraw/zinc/39/30/26/426393026.db2.gz WJGGCZDBAYFLFF-UWVAXJGDSA-N 2 0 315.505 2.753 20 0 DFADRP COc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+]C[C@H]1CCCN1C)CC3 ZINC000123140030 426416559 /nfs/dbraw/zinc/41/65/59/426416559.db2.gz BJTLXRRTHMATDI-ZIAGYGMSSA-N 2 0 313.445 2.718 20 0 DFADRP C[C@H]1C[C@@H](NC[C@@H](c2ccco2)[NH+]2CCCCC2)CC[N@@H+]1C ZINC000154004668 426418239 /nfs/dbraw/zinc/41/82/39/426418239.db2.gz JLVJKFPHXHJOFG-ULQDDVLXSA-N 2 0 305.466 2.879 20 0 DFADRP Cc1ccc([C@H](CN[C@H]2CC[N@H+](C)[C@H](C)C2)[NH+]2CCCC2)o1 ZINC000154016081 426420331 /nfs/dbraw/zinc/42/03/31/426420331.db2.gz PXRHZTPUEKLCHQ-PVAVHDDUSA-N 2 0 305.466 2.797 20 0 DFADRP CCC[NH+](CCC)CCCC(=O)Nc1cc(C[NH+](C)C)ccn1 ZINC000176933465 426426133 /nfs/dbraw/zinc/42/61/33/426426133.db2.gz JEIBWKUTSHUFMC-UHFFFAOYSA-N 2 0 320.481 2.984 20 0 DFADRP CCCNC(=O)[C@@H](C)[NH2+]Cc1cccc(C[NH+](CC)CC)c1 ZINC000123439909 426435164 /nfs/dbraw/zinc/43/51/64/426435164.db2.gz IEXGMZWJXIAKLP-OAHLLOKOSA-N 2 0 305.466 2.533 20 0 DFADRP CC[C@@H]([NH2+]CCCN1CC[NH+](CC)CC1)c1ccc(F)cc1 ZINC000154312776 426435418 /nfs/dbraw/zinc/43/54/18/426435418.db2.gz MQEPNGKVSKOOSE-GOSISDBHSA-N 2 0 307.457 2.894 20 0 DFADRP CCN1CC[NH+](CCCC[NH2+][C@H]2c3ccccc3C[C@H]2C)CC1 ZINC000154478655 426442744 /nfs/dbraw/zinc/44/27/44/426442744.db2.gz PLKCHVKMTQSSSO-YLJYHZDGSA-N 2 0 315.505 2.927 20 0 DFADRP COc1ccc(C[C@@H](C)C[N@@H+]2CC[C@]3(CC[NH2+]C3)C2)cc1F ZINC000340698422 269001167 /nfs/dbraw/zinc/00/11/67/269001167.db2.gz OUYWQBGIXIOBOE-KDOFPFPSSA-N 2 0 306.425 2.698 20 0 DFADRP CCCC[C@H]([NH3+])C(=O)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000154559240 426446564 /nfs/dbraw/zinc/44/65/64/426446564.db2.gz WDFJOKQCQRVAPO-SJORKVTESA-N 2 0 309.498 2.619 20 0 DFADRP CCC[NH+](CCC)CCCC(=O)N[C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000177216910 426455849 /nfs/dbraw/zinc/45/58/49/426455849.db2.gz SHXHNFMVYGMDPI-HZPDHXFCSA-N 2 0 309.498 2.630 20 0 DFADRP CC(C)c1ccc(C[NH+]2CCN(Cc3cncn3C)CC2)cc1 ZINC000177232607 426458545 /nfs/dbraw/zinc/45/85/45/426458545.db2.gz KMTSBQOGJCMNPH-UHFFFAOYSA-N 2 0 312.461 2.861 20 0 DFADRP CC[C@H]([NH2+][C@H](C)CN1CC[NH+](C)CC1)c1cc(F)ccc1F ZINC000154954008 426459668 /nfs/dbraw/zinc/45/96/68/426459668.db2.gz GRXRLOQUALFXSA-DYVFJYSZSA-N 2 0 311.420 2.641 20 0 DFADRP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@H](C)c1cc2c(s1)CCCC2 ZINC000154977137 426461132 /nfs/dbraw/zinc/46/11/32/426461132.db2.gz DYLQNTJYWZYDMN-HUUCEWRRSA-N 2 0 321.534 2.913 20 0 DFADRP CC(C)[C@@H](Cc1ccc(F)cc1)[NH2+][C@H](C)CN1CC[NH+](C)CC1 ZINC000155018426 426461853 /nfs/dbraw/zinc/46/18/53/426461853.db2.gz FUWCGHGGMFENOP-VQIMIIECSA-N 2 0 321.484 2.618 20 0 DFADRP COCC[C@H](C)[NH2+]Cc1ccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000124186642 426474170 /nfs/dbraw/zinc/47/41/70/426474170.db2.gz IURAHLYZMCSEFC-YESZJQIVSA-N 2 0 320.477 2.810 20 0 DFADRP CN(CC[N@H+](C)CCCc1ccccc1)C1CC[NH+](C)CC1 ZINC000177384279 426474659 /nfs/dbraw/zinc/47/46/59/426474659.db2.gz QATDUUGTGHGPOC-UHFFFAOYSA-N 2 0 303.494 2.577 20 0 DFADRP CC[NH+](CC)CCCNCc1cncc(Br)c1 ZINC000124221819 426475284 /nfs/dbraw/zinc/47/52/84/426475284.db2.gz IQNYPIUUYYPSGT-UHFFFAOYSA-N 2 0 300.244 2.666 20 0 DFADRP COCc1cc([C@@H](C)[NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)ccc1OC ZINC000124343465 426480569 /nfs/dbraw/zinc/48/05/69/426480569.db2.gz UYTVEZDIWKAMJZ-CABCVRRESA-N 2 0 318.461 2.977 20 0 DFADRP C[C@H]([NH2+]CC1CC[NH+](CCN(C)C)CC1)c1cccnc1Cl ZINC000124388181 426483002 /nfs/dbraw/zinc/48/30/02/426483002.db2.gz BMGLSZVUJCKJAM-AWEZNQCLSA-N 2 0 324.900 2.659 20 0 DFADRP COc1ccccc1[C@H](C)[NH2+]CC1CC[NH+](CCN(C)C)CC1 ZINC000124400648 426483205 /nfs/dbraw/zinc/48/32/05/426483205.db2.gz RHIRUJUSVJXDNQ-INIZCTEOSA-N 2 0 319.493 2.619 20 0 DFADRP C[C@@H](C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000101631949 426485581 /nfs/dbraw/zinc/48/55/81/426485581.db2.gz WARZNWOGQJTGIJ-MJBXVCDLSA-N 2 0 309.498 2.673 20 0 DFADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]C1CCC(O)(c2cccnc2)CC1 ZINC000186342121 426508071 /nfs/dbraw/zinc/50/80/71/426508071.db2.gz OFTYRISJOGXEKX-SNPYCJMFSA-N 2 0 317.477 2.530 20 0 DFADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]C1CCC(O)(c2cccnc2)CC1 ZINC000186342090 426508993 /nfs/dbraw/zinc/50/89/93/426508993.db2.gz OFTYRISJOGXEKX-CTFRIIQPSA-N 2 0 317.477 2.530 20 0 DFADRP Cc1ccc(-c2ncc[nH]2)cc1NC(=O)[C@H](C(C)C)[NH+](C)C ZINC000280207099 426520495 /nfs/dbraw/zinc/52/04/95/426520495.db2.gz MXGAPJPNCZQYQK-HNNXBMFYSA-N 2 0 300.406 2.910 20 0 DFADRP c1ccc(C[NH+]2C[C@H]3C[N@H+](CCc4cccnc4)C[C@H]3C2)cc1 ZINC000280248483 426529670 /nfs/dbraw/zinc/52/96/70/426529670.db2.gz BVDDBTGZDHPGRK-BGYRXZFFSA-N 2 0 307.441 2.688 20 0 DFADRP Cc1cnn(CC[NH2+][C@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000272469880 426533176 /nfs/dbraw/zinc/53/31/76/426533176.db2.gz LEFKWKRFIOTKDN-IEBWSBKVSA-N 2 0 312.461 2.692 20 0 DFADRP CC[C@@H](c1ccccc1)[NH+]1CCC(C(=O)NCC[NH+](C)C)CC1 ZINC000195519340 426534103 /nfs/dbraw/zinc/53/41/03/426534103.db2.gz FXXLQODHSJNJEB-SFHVURJKSA-N 2 0 317.477 2.528 20 0 DFADRP C[C@@H]([NH2+]CC1(CO)CCCC1)c1cccc(OCC[NH+](C)C)c1 ZINC000186478275 426535815 /nfs/dbraw/zinc/53/58/15/426535815.db2.gz IXUULIRBCGUYAC-MRXNPFEDSA-N 2 0 320.477 2.830 20 0 DFADRP C/C=C/C[C@@H](CO)[NH2+][C@H](C)c1ccc(OCC[NH+](C)C)cc1 ZINC000186520537 426542454 /nfs/dbraw/zinc/54/24/54/426542454.db2.gz SYRNESPKDRJTMQ-HEDFYIJFSA-N 2 0 306.450 2.605 20 0 DFADRP C[C@@H](CCC1CC1)[NH2+]Cc1ccnc(N2CC[NH+](C)CC2)c1 ZINC000186250052 426497357 /nfs/dbraw/zinc/49/73/57/426497357.db2.gz CWIGNLKJDXRDGE-HNNXBMFYSA-N 2 0 302.466 2.502 20 0 DFADRP COc1ccc([C@H](C)[NH2+]C[C@@H](C)CN2CC[NH+](C)CC2)cc1C ZINC000273086463 426589334 /nfs/dbraw/zinc/58/93/34/426589334.db2.gz QKTSYILNURGWPE-WBVHZDCISA-N 2 0 319.493 2.538 20 0 DFADRP Cc1nccn1C[C@@H]1CCC[N@@H+]1C[C@H](O)c1ccc(F)cc1 ZINC000178299391 426600761 /nfs/dbraw/zinc/60/07/61/426600761.db2.gz IWNYPBIAAJKMAV-IRXDYDNUSA-N 2 0 303.381 2.529 20 0 DFADRP CNC(=O)c1ccc(C[N@H+](C)CCCc2cnccc2C)cc1 ZINC000289200811 426602981 /nfs/dbraw/zinc/60/29/81/426602981.db2.gz VJZMIIHKZCDMBO-UHFFFAOYSA-N 2 0 311.429 2.814 20 0 DFADRP COc1ccc(OC)c(C[N@@H+]2CCC[C@H]2Cn2ccnc2C)c1 ZINC000178306872 426604164 /nfs/dbraw/zinc/60/41/64/426604164.db2.gz XHAQHJSOCAALKS-INIZCTEOSA-N 2 0 315.417 2.873 20 0 DFADRP C[C@H]1CC[C@H](C[N@@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)O1 ZINC000280607577 426613092 /nfs/dbraw/zinc/61/30/92/426613092.db2.gz XLLJBQWCMWDWCC-GDAAHCPNSA-N 2 0 300.446 2.618 20 0 DFADRP CCC(C)(C)[NH2+][C@@H](C)C(=O)Nc1ccc(OCC[NH+](C)C)cc1 ZINC000273209238 426617062 /nfs/dbraw/zinc/61/70/62/426617062.db2.gz LJJGCWGTSFBZDX-AWEZNQCLSA-N 2 0 321.465 2.732 20 0 DFADRP Cc1ccc(CC[C@@H](C)[NH2+][C@H](C)CCN2CC[NH+](C)CC2)cc1 ZINC000186582063 426556862 /nfs/dbraw/zinc/55/68/62/426556862.db2.gz SUCOLFWGSRLHNU-RTBURBONSA-N 2 0 317.521 2.932 20 0 DFADRP CCc1nc(C)c([C@@H](C)[NH2+][C@@H](C)CCN2CC[NH+](C)CC2)s1 ZINC000186603143 426560655 /nfs/dbraw/zinc/56/06/55/426560655.db2.gz JTLUZNSDVKZXPB-UONOGXRCSA-N 2 0 324.538 2.691 20 0 DFADRP CCCc1cccc(C[NH2+]C[C@@H](C)N2CC[NH+](CC)CC2)c1 ZINC000187123407 426631285 /nfs/dbraw/zinc/63/12/85/426631285.db2.gz DMIRYLOGIVWRSX-QGZVFWFLSA-N 2 0 303.494 2.755 20 0 DFADRP Cc1nc(C[C@H]2CCC[N@H+](CCCc3cnccc3C)C2)no1 ZINC000289344300 426631322 /nfs/dbraw/zinc/63/13/22/426631322.db2.gz MFPCIRBHMADORD-MRXNPFEDSA-N 2 0 314.433 2.969 20 0 DFADRP CC[N@@H+]1CC[C@@H](C[NH2+]C[C@@H](C)Cc2ccc(OC)c(F)c2)C1 ZINC000187115253 426631904 /nfs/dbraw/zinc/63/19/04/426631904.db2.gz SWNQQFWCTOPUPB-HOCLYGCPSA-N 2 0 308.441 2.944 20 0 DFADRP COCCC[NH+]1CCC([NH2+][C@H](C)C2CCSCC2)CC1 ZINC000187143566 426633131 /nfs/dbraw/zinc/63/31/31/426633131.db2.gz NJQQQSYCKYEUHB-CQSZACIVSA-N 2 0 300.512 2.609 20 0 DFADRP CC(=O)NCCC[NH2+]C1CCC([N@H+](C)Cc2ccccc2)CC1 ZINC000280706827 426638225 /nfs/dbraw/zinc/63/82/25/426638225.db2.gz AZFDOGJLYUYQRF-UHFFFAOYSA-N 2 0 317.477 2.545 20 0 DFADRP CCC(C)(C)[NH2+][C@@H](C)C(=O)NC[C@@H](c1cccc(F)c1)[NH+](C)C ZINC000273314765 426641938 /nfs/dbraw/zinc/64/19/38/426641938.db2.gz XRQJLBHDCSNYPL-BBRMVZONSA-N 2 0 323.456 2.711 20 0 DFADRP Cc1cc(C[N@@H+](C)CCN(C)C2CC[NH+](C)CC2)ccc1F ZINC000289385048 426643296 /nfs/dbraw/zinc/64/32/96/426643296.db2.gz DALRJLNEBMPJER-UHFFFAOYSA-N 2 0 307.457 2.592 20 0 DFADRP CC[NH+](CC)CCC[C@H](C)NC(=O)[C@@H](C)[C@@H]([NH3+])c1ccccc1 ZINC000236858317 426686720 /nfs/dbraw/zinc/68/67/20/426686720.db2.gz WEYQOVPDWDYGPG-XYJFISCASA-N 2 0 319.493 2.949 20 0 DFADRP Cc1ccc(NC(=O)CN(C)[C@@H]2CCC[NH2+]CC2)c(Cl)c1 ZINC000231670106 426651288 /nfs/dbraw/zinc/65/12/88/426651288.db2.gz SAOINSXOGNEOAT-CYBMUJFWSA-N 2 0 309.841 2.661 20 0 DFADRP Cc1ccc(Cl)cc1NC(=O)CN(C)[C@H]1CCC[NH2+]CC1 ZINC000231669908 426651703 /nfs/dbraw/zinc/65/17/03/426651703.db2.gz VUSGJOUKKMJSDT-AWEZNQCLSA-N 2 0 309.841 2.661 20 0 DFADRP FC(F)(F)SCC[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000231939964 426653603 /nfs/dbraw/zinc/65/36/03/426653603.db2.gz UBRSGNXQVIEPLE-UHFFFAOYSA-N 2 0 305.369 2.893 20 0 DFADRP C[N@H+](CCCN1CC[NH+](C)CC1)Cc1ccc2occc2c1 ZINC000289437752 426659316 /nfs/dbraw/zinc/65/93/16/426659316.db2.gz LPESSNPWPXXALZ-UHFFFAOYSA-N 2 0 301.434 2.502 20 0 DFADRP C[C@]1(C[NH3+])CCN(Cc2cc(Br)ccc2F)C1 ZINC000235707715 426661076 /nfs/dbraw/zinc/66/10/76/426661076.db2.gz DYERPEMISXSGOD-CYBMUJFWSA-N 2 0 301.203 2.759 20 0 DFADRP CC[C@H](C(=O)Nc1ccc(OCC[NH+](C)C)cc1)[NH+](CC)CC ZINC000265647126 426668421 /nfs/dbraw/zinc/66/84/21/426668421.db2.gz XHXQZFVPXHXJSJ-QGZVFWFLSA-N 2 0 321.465 2.686 20 0 DFADRP CCC[C@H]([NH2+]C1CC[NH+]([C@@H]2CCC[C@H]2O)CC1)c1cccnc1 ZINC000273491745 426672222 /nfs/dbraw/zinc/67/22/22/426672222.db2.gz OITHWTCPQVIZKB-IPMKNSEASA-N 2 0 317.477 2.890 20 0 DFADRP CC(C)[C@H](C[NH2+]Cc1cccc2[nH]ccc21)N1CC[NH+](C)CC1 ZINC000236682024 426674674 /nfs/dbraw/zinc/67/46/74/426674674.db2.gz RDCDAHLJBZBBAW-IBGZPJMESA-N 2 0 314.477 2.530 20 0 DFADRP CCC(CC)(C[NH3+])C(=O)NC[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000236680552 426675258 /nfs/dbraw/zinc/67/52/58/426675258.db2.gz ZOJAIQOLSMQMDJ-QGZVFWFLSA-N 2 0 317.477 2.532 20 0 DFADRP CC(C)[C@H](C[NH2+]Cc1ccc([C@@H]2C[C@@H]2C)o1)N1CCN(C)CC1 ZINC000236690262 426677508 /nfs/dbraw/zinc/67/75/08/426677508.db2.gz KRIKIKXQJKPKDS-JQHSSLGASA-N 2 0 319.493 2.765 20 0 DFADRP CCCC[N@H+](CC)Cc1cccc(CNC(=O)[C@H]2CCC[NH2+]2)c1 ZINC000236727634 426679807 /nfs/dbraw/zinc/67/98/07/426679807.db2.gz RBJCWMDWWMORPK-GOSISDBHSA-N 2 0 317.477 2.677 20 0 DFADRP CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)CCC1CC[NH2+]CC1 ZINC000236748786 426682940 /nfs/dbraw/zinc/68/29/40/426682940.db2.gz CSYJHVAASVVYFA-QGZVFWFLSA-N 2 0 309.498 2.537 20 0 DFADRP C[NH2+]CCCC(=O)NCc1cccc(C[NH+]2CCC(C)CC2)c1 ZINC000178740115 426685867 /nfs/dbraw/zinc/68/58/67/426685867.db2.gz GXCDSGPDXWUSNS-UHFFFAOYSA-N 2 0 317.477 2.534 20 0 DFADRP C[C@H]1C[C@H]([NH2+]C2CCN(CC[NH+](C)C)CC2)c2ccccc21 ZINC000289301317 426622618 /nfs/dbraw/zinc/62/26/18/426622618.db2.gz SEDZQZFCDHXOCE-KXBFYZLASA-N 2 0 301.478 2.851 20 0 DFADRP Cc1cc(Cl)ccc1NC(=O)CN1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000227189735 426626390 /nfs/dbraw/zinc/62/63/90/426626390.db2.gz JOGPTBWCGIIPOH-QWHCGFSZSA-N 2 0 309.841 2.646 20 0 DFADRP C[N@@H+]1CCC[C@@H](CNC(=O)C2([NH3+])CCCC2)[C@@H]1c1cccs1 ZINC000237114479 426689559 /nfs/dbraw/zinc/68/95/59/426689559.db2.gz APHFMKODIRFGNK-DZGCQCFKSA-N 2 0 321.490 2.519 20 0 DFADRP CO[C@H](C)[C@@H](C)[NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]12 ZINC000290145213 426702883 /nfs/dbraw/zinc/70/28/83/426702883.db2.gz KYBJVUJHGOXVDX-SIZVQLJJSA-N 2 0 302.462 2.910 20 0 DFADRP C[C@@H]1C[C@H](N(C)Cc2ccc(Br)o2)CC[N@@H+]1C ZINC000188075911 426720412 /nfs/dbraw/zinc/72/04/12/426720412.db2.gz PXKFYOXUDHEHDQ-GHMZBOCLSA-N 2 0 301.228 2.957 20 0 DFADRP C[C@H](C[NH2+][C@H]1CCCN(Cc2ccccc2)C1)C[NH+]1CCCC1 ZINC000237609301 426693464 /nfs/dbraw/zinc/69/34/64/426693464.db2.gz AFCQBEKSEJWGIV-QUCCMNQESA-N 2 0 315.505 2.973 20 0 DFADRP C[C@@H](C[NH2+]C[C@H](C)CN1CC[NH+](C)CC1)c1cccc(Cl)c1 ZINC000187856597 426699056 /nfs/dbraw/zinc/69/90/56/426699056.db2.gz OIVDMUWGAKHSPU-HOTGVXAUSA-N 2 0 323.912 2.917 20 0 DFADRP COc1cc(CNC[C@@H]2CCC[N@@H+](C(C)C)C2)cc(OC)c1O ZINC000290461052 426769462 /nfs/dbraw/zinc/76/94/62/426769462.db2.gz UARFOBHOFORMCC-AWEZNQCLSA-N 2 0 322.449 2.619 20 0 DFADRP COc1ccc(C[N@@H+]2CC[C@H](C3CC[NH+](C)CC3)C2)cc1O ZINC000290478198 426773131 /nfs/dbraw/zinc/77/31/31/426773131.db2.gz NXXQCVCYLWGRSX-INIZCTEOSA-N 2 0 304.434 2.565 20 0 DFADRP C[C@H]1Cc2ccccc2N1C(=O)C[NH+]1CCC(c2ncc[nH]2)CC1 ZINC000266782939 426778072 /nfs/dbraw/zinc/77/80/72/426778072.db2.gz VMQOLTBTYQQLIP-AWEZNQCLSA-N 2 0 324.428 2.567 20 0 DFADRP COC[C@@H](C)[N@H+](C)Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000179370595 426781860 /nfs/dbraw/zinc/78/18/60/426781860.db2.gz NGGUFKQVMVUFHR-MRXNPFEDSA-N 2 0 319.493 2.684 20 0 DFADRP CCCn1ccnc1CCC[N@H+](C)Cc1cnc([C@@H](C)O)s1 ZINC000290521821 426782695 /nfs/dbraw/zinc/78/26/95/426782695.db2.gz QBEYGUSSEAREGW-CYBMUJFWSA-N 2 0 322.478 2.868 20 0 DFADRP CC[C@H]([NH2+]Cc1ccc(C(=O)NCC[NH+](C)C)cc1)C(C)(C)C ZINC000290246361 426725327 /nfs/dbraw/zinc/72/53/27/426725327.db2.gz JODXNVVMXKQTOG-KRWDZBQOSA-N 2 0 319.493 2.892 20 0 DFADRP CC(C)C[N@H+](C[C@@H](O)c1ccc(F)cc1)CC1CC[NH2+]CC1 ZINC000178973893 426727136 /nfs/dbraw/zinc/72/71/36/426727136.db2.gz NRGIGYJHYDTESB-GOSISDBHSA-N 2 0 308.441 2.817 20 0 DFADRP CC(C)C[N@H+](C[C@H](O)c1ccc(F)cc1)CC1CC[NH2+]CC1 ZINC000178973885 426727170 /nfs/dbraw/zinc/72/71/70/426727170.db2.gz NRGIGYJHYDTESB-SFHVURJKSA-N 2 0 308.441 2.817 20 0 DFADRP c1ccc(CCCO[C@@H]2CC[N@H+](CC3CC[NH2+]CC3)C2)cc1 ZINC000178976569 426730158 /nfs/dbraw/zinc/73/01/58/426730158.db2.gz XDQBZKSRMOUISZ-LJQANCHMSA-N 2 0 302.462 2.710 20 0 DFADRP CC[N@@H+]1CC[C@H](N(C)CC(=O)N(C)[C@H](C)CC(C)C)[C@H](C)C1 ZINC000245436162 426739727 /nfs/dbraw/zinc/73/97/27/426739727.db2.gz QTZHSXOIGQQNNQ-ZACQAIPSSA-N 2 0 311.514 2.542 20 0 DFADRP COC(=O)[C@H](c1ccccc1C)N1CCC[C@@H](c2ncc[nH]2)C1 ZINC000274304865 426741141 /nfs/dbraw/zinc/74/11/41/426741141.db2.gz DEMQQYYSZBWCJF-ZBFHGGJFSA-N 2 0 313.401 2.812 20 0 DFADRP C[C@H]1C[N@H+](C)CC[C@H]1N(C)Cc1cccc2c1OCCCO2 ZINC000290366559 426750262 /nfs/dbraw/zinc/75/02/62/426750262.db2.gz HFMNFALUGLTPHF-GOEBONIOSA-N 2 0 304.434 2.620 20 0 DFADRP C[N@@H+]1CC[C@@H]2[C@H](CCCN2Cc2cncc(Br)c2)C1 ZINC000290427378 426762932 /nfs/dbraw/zinc/76/29/32/426762932.db2.gz LDOSPCYMSUJMTP-UKRRQHHQSA-N 2 0 324.266 2.760 20 0 DFADRP C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)Cc1csc(-c2ccccn2)n1 ZINC000290589004 426799822 /nfs/dbraw/zinc/79/98/22/426799822.db2.gz VDIMJXDEZYOAHR-CJNGLKHVSA-N 2 0 316.474 2.977 20 0 DFADRP CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)Nc1ccn2ccnc2c1 ZINC000290586760 426800064 /nfs/dbraw/zinc/80/00/64/426800064.db2.gz GGDDBYTWSQAJAA-OAHLLOKOSA-N 2 0 315.421 2.672 20 0 DFADRP COCC[C@@H]1CCC[C@@H]1[NH2+]Cc1ccc(OCC[NH+](C)C)cc1 ZINC000281955057 426802023 /nfs/dbraw/zinc/80/20/23/426802023.db2.gz ARRZGETVVPWOBK-HKUYNNGSSA-N 2 0 320.477 2.922 20 0 DFADRP COCCC1(C[NH2+]CCCC[NH+]2CCOCC2)CCCCC1 ZINC000189046211 426812876 /nfs/dbraw/zinc/81/28/76/426812876.db2.gz BNWDUPMLVPLQGW-UHFFFAOYSA-N 2 0 312.498 2.675 20 0 DFADRP C[C@@H](CC(=O)NCCCC[N@@H+]1CCC[C@@H](C)C1)C1CC[NH2+]CC1 ZINC000246229929 426813490 /nfs/dbraw/zinc/81/34/90/426813490.db2.gz HOTRSCRDRHJXLV-SJORKVTESA-N 2 0 323.525 2.641 20 0 DFADRP COCC[C@@H]1CCC[C@H]1[NH2+]Cc1ccccc1OCC[NH+](C)C ZINC000282036169 426817437 /nfs/dbraw/zinc/81/74/37/426817437.db2.gz FTHHKLMGOPJDMP-FUHWJXTLSA-N 2 0 320.477 2.922 20 0 DFADRP COCC[C@@H]1CCC[C@@H]1[NH2+]Cc1ccccc1OCC[NH+](C)C ZINC000282036172 426818026 /nfs/dbraw/zinc/81/80/26/426818026.db2.gz FTHHKLMGOPJDMP-WMZOPIPTSA-N 2 0 320.477 2.922 20 0 DFADRP CCC(C)(C)[N@H+](C)CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000274689705 426818174 /nfs/dbraw/zinc/81/81/74/426818174.db2.gz ZSBGNDSZSBMPFV-INIZCTEOSA-N 2 0 305.466 2.526 20 0 DFADRP Cc1ccc(C2CC([NH2+]CCN3CC[N@@H+](C)C(C)(C)C3)C2)cc1 ZINC000282114734 426832571 /nfs/dbraw/zinc/83/25/71/426832571.db2.gz ALPNOWXUAKCHRA-UHFFFAOYSA-N 2 0 315.505 2.857 20 0 DFADRP COc1ccc([C@@H]([NH2+]C[C@H](O)C[NH+]2CCCCC2)C(C)C)cc1 ZINC000180044349 426833724 /nfs/dbraw/zinc/83/37/24/426833724.db2.gz JCKFIBRGHWAWEP-HKUYNNGSSA-N 2 0 320.477 2.829 20 0 DFADRP Cc1cc(NCc2ccc(C[NH+]3CCC(O)CC3)cc2)cc[nH+]1 ZINC000274778519 426834999 /nfs/dbraw/zinc/83/49/99/426834999.db2.gz DAXHDRGFOPBNAW-UHFFFAOYSA-N 2 0 311.429 2.959 20 0 DFADRP CC[C@@H](CCO)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000180147771 426838352 /nfs/dbraw/zinc/83/83/52/426838352.db2.gz MZDPGYLUUBRRIW-QBUWPKIASA-N 2 0 302.462 2.933 20 0 DFADRP COC1(C[NH2+][C@H](C)c2cccc(OCC[NH+](C)C)c2)CCC1 ZINC000180201767 426844413 /nfs/dbraw/zinc/84/44/13/426844413.db2.gz POHGULMWZYNVDF-OAHLLOKOSA-N 2 0 306.450 2.847 20 0 DFADRP O[C@@H](CNc1ccncc1Cl)C[N@@H+]1CCc2ccccc2C1 ZINC000267251069 426855020 /nfs/dbraw/zinc/85/50/20/426855020.db2.gz IPBAIZGGWQLEFR-HNNXBMFYSA-N 2 0 317.820 2.566 20 0 DFADRP Brc1ccc(CN2CCC[C@@H](c3ncc[nH]3)C2)nc1 ZINC000266900124 426792422 /nfs/dbraw/zinc/79/24/22/426792422.db2.gz GJOUCJQGYQJNIX-LLVKDONJSA-N 2 0 321.222 2.947 20 0 DFADRP C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2ccc(-n3cccn3)cc2)C1 ZINC000290553560 426792796 /nfs/dbraw/zinc/79/27/96/426792796.db2.gz RXIJZXDKTIBQQN-HKUYNNGSSA-N 2 0 310.445 2.788 20 0 DFADRP CCc1ccccc1C[NH+]1CCC(C[NH+]2CCOCC2)CC1 ZINC000188843566 426793329 /nfs/dbraw/zinc/79/33/29/426793329.db2.gz ZTHUKWSWDGOBAH-UHFFFAOYSA-N 2 0 302.462 2.793 20 0 DFADRP C[C@H](O)C[NH+]1CCC(C[N@H+](C)Cc2coc3ccccc23)CC1 ZINC000179515673 426796724 /nfs/dbraw/zinc/79/67/24/426796724.db2.gz SADDXSQFNDLGEH-HNNXBMFYSA-N 2 0 316.445 2.957 20 0 DFADRP COC(=O)c1ccc(CN(C)C2CC[NH+](C(C)C)CC2)cc1F ZINC000268111195 426916110 /nfs/dbraw/zinc/91/61/10/426916110.db2.gz ZACFRXMLKSJOAG-UHFFFAOYSA-N 2 0 322.424 2.917 20 0 DFADRP C[C@H](C[NH2+]C[C@@H](O)C[NH+]1CCCCC1)c1cc(F)cc(F)c1 ZINC000295342947 426918818 /nfs/dbraw/zinc/91/88/18/426918818.db2.gz BJJDMDQPAFYXSD-CXAGYDPISA-N 2 0 312.404 2.505 20 0 DFADRP OC1(C[N@@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)CCCC1 ZINC000309997268 426919416 /nfs/dbraw/zinc/91/94/16/426919416.db2.gz CEZQZBHNRAUVJS-OALUTQOASA-N 2 0 314.473 2.745 20 0 DFADRP CC[N@H+](C)[C@H](C(=O)N[C@@H]1CCC[C@H]([NH+](C)C)C1)c1ccccc1 ZINC000267281409 426861893 /nfs/dbraw/zinc/86/18/93/426861893.db2.gz KVJLVMDDNZZNEW-SQNIBIBYSA-N 2 0 317.477 2.668 20 0 DFADRP CC(C)[NH+]1CCC([NH2+]C[C@H]2COC3(CCCCCC3)O2)CC1 ZINC000180462670 426862799 /nfs/dbraw/zinc/86/27/99/426862799.db2.gz PAPCZXZGUONMTC-KRWDZBQOSA-N 2 0 310.482 2.915 20 0 DFADRP CC[NH+](CC)[C@@H]1CCN(C(=O)[C@@H](c2ccccc2)[N@@H+](C)CC)C1 ZINC000246797799 426868308 /nfs/dbraw/zinc/86/83/08/426868308.db2.gz ADQRUICJLJALLW-QZTJIDSGSA-N 2 0 317.477 2.622 20 0 DFADRP CC1CC[NH+](CCCC[NH2+]Cc2c[nH]c3nccnc23)CC1 ZINC000290923540 426869008 /nfs/dbraw/zinc/86/90/08/426869008.db2.gz QVCZTLFQRBPGMY-UHFFFAOYSA-N 2 0 301.438 2.560 20 0 DFADRP C[C@@H](CCc1cccc(F)c1)[NH2+]CCN1CC[N@H+](C)C(C)(C)C1 ZINC000282277074 426869565 /nfs/dbraw/zinc/86/95/65/426869565.db2.gz KUVQSXOVFDPCHR-INIZCTEOSA-N 2 0 321.484 2.762 20 0 DFADRP CC[N@@H+]1CC[C@@H](C[NH2+]Cc2ccc(-c3cnn(C)c3)s2)C1 ZINC000282276552 426869651 /nfs/dbraw/zinc/86/96/51/426869651.db2.gz PCZGNRHNXLQAOX-ZDUSSCGKSA-N 2 0 304.463 2.580 20 0 DFADRP C[C@H]([NH2+][C@H]1CC[C@H](CO)CC1)c1cccc(OCC[NH+](C)C)c1 ZINC000246838112 426870545 /nfs/dbraw/zinc/87/05/45/426870545.db2.gz BLLOVNKCNNAGKD-BQFCYCMXSA-N 2 0 320.477 2.829 20 0 DFADRP Cc1cccc(CC[C@@H](C)[NH2+]CCN2CC[N@H+](C)C(C)(C)C2)c1 ZINC000282313511 426878658 /nfs/dbraw/zinc/87/86/58/426878658.db2.gz NFDCRKJKBVCZMD-GOSISDBHSA-N 2 0 317.521 2.932 20 0 DFADRP C[C@H]([NH2+]CCN1CC[N@H+](C)C(C)(C)C1)c1cc(F)ccc1F ZINC000282333748 426884001 /nfs/dbraw/zinc/88/40/01/426884001.db2.gz OHQUFAJLPPSBSW-ZDUSSCGKSA-N 2 0 311.420 2.641 20 0 DFADRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+][C@H]1CC[C@H](c2ccccc2)C1 ZINC000275626395 426884165 /nfs/dbraw/zinc/88/41/65/426884165.db2.gz ANBMEGKGPSJJEX-HOJAQTOUSA-N 2 0 315.505 2.938 20 0 DFADRP C[NH+](C)CCCOc1ccc(C[NH2+]C[C@@H]2CCC=CO2)cc1 ZINC000189559623 426888994 /nfs/dbraw/zinc/88/89/94/426888994.db2.gz YNGPOLCORUJDFN-SFHVURJKSA-N 2 0 304.434 2.799 20 0 DFADRP C[C@H]([NH2+]C[C@H]1CCC[C@H](O)C1)c1cccc(OCC[NH+](C)C)c1 ZINC000305157194 426889658 /nfs/dbraw/zinc/88/96/58/426889658.db2.gz QKEIUKJOZGWAOS-BQFCYCMXSA-N 2 0 320.477 2.829 20 0 DFADRP Cn1cc(-c2ccc(C[NH2+]CCC3CC[NH+](C)CC3)s2)cn1 ZINC000282350229 426890665 /nfs/dbraw/zinc/89/06/65/426890665.db2.gz WQPPHABSWSJHKR-UHFFFAOYSA-N 2 0 318.490 2.970 20 0 DFADRP CC[N@@H+]1CC[C@@H]([NH+](C)CCC(=O)Nc2ccccc2C)[C@@H](C)C1 ZINC000247066093 426897220 /nfs/dbraw/zinc/89/72/20/426897220.db2.gz PNUUTWFEFICJLL-FUHWJXTLSA-N 2 0 317.477 2.986 20 0 DFADRP C[NH+](C)Cc1ccc(NC(=O)CC2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000316501973 426946041 /nfs/dbraw/zinc/94/60/41/426946041.db2.gz MFPVEOHEJOEKCO-ZXFUBFMLSA-N 2 0 301.434 2.607 20 0 DFADRP CC(C)(C)[NH+]1CCC([NH2+][C@H]2CCO[C@@]3(CCSC3)C2)CC1 ZINC000181452918 426950655 /nfs/dbraw/zinc/95/06/55/426950655.db2.gz UQIFUWCMGKKOHI-RDJZCZTQSA-N 2 0 312.523 2.894 20 0 DFADRP C[C@H](C[NH2+]Cc1cccc(OCc2ccccn2)c1)C[NH+](C)C ZINC000291687479 426951278 /nfs/dbraw/zinc/95/12/78/426951278.db2.gz IOBVKNPBQJUDBD-MRXNPFEDSA-N 2 0 313.445 2.948 20 0 DFADRP CC(C)[C@@H](C(=O)NCC[NH+]1CCC2(CCCCC2)CC1)[NH+](C)C ZINC000337752087 426954272 /nfs/dbraw/zinc/95/42/72/426954272.db2.gz WAGZPZJLJIMDKX-KRWDZBQOSA-N 2 0 323.525 2.735 20 0 DFADRP COc1cc2c(cc1CN(C)CC[C@@H]([NH3+])C(C)C)O[C@H](C)C2 ZINC000317141043 426956154 /nfs/dbraw/zinc/95/61/54/426956154.db2.gz KBUXVUDXZBNOHN-CZUORRHYSA-N 2 0 306.450 2.824 20 0 DFADRP C[C@H](CNC(=O)[C@H]([NH3+])CC1CCCCC1)C[NH+]1CCCCC1 ZINC000318720908 426958458 /nfs/dbraw/zinc/95/84/58/426958458.db2.gz HHAVBENMJLYJRI-NVXWUHKLSA-N 2 0 309.498 2.522 20 0 DFADRP COc1cccc([C@@H](C)[NH2+]CCCN2CC[NH+](C(C)C)CC2)c1 ZINC000283146100 426962948 /nfs/dbraw/zinc/96/29/48/426962948.db2.gz CCGJTFQBJRIHGP-QGZVFWFLSA-N 2 0 319.493 2.762 20 0 DFADRP CC(C)[C@@H]([NH3+])CC(=O)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000322128290 426973003 /nfs/dbraw/zinc/97/30/03/426973003.db2.gz ORVCTGXBPHKUQV-SFHVURJKSA-N 2 0 317.477 2.662 20 0 DFADRP C[C@H]1C[N@H+](C)CC[C@H]1NC1CC[NH+](CCc2ccccc2)CC1 ZINC000323623268 426975046 /nfs/dbraw/zinc/97/50/46/426975046.db2.gz DCDZKBSMMSABNN-FXAWDEMLSA-N 2 0 315.505 2.623 20 0 DFADRP C[N@@H+]1CCC[C@@H]2CN(C[C@@H](O)c3ccccc3Cl)CC[C@H]21 ZINC000248055792 426979184 /nfs/dbraw/zinc/97/91/84/426979184.db2.gz XGYYKEZTZJBEKD-KBRIMQKVSA-N 2 0 308.853 2.790 20 0 DFADRP CC(C)[C@H](O)C[NH2+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000248404748 426995074 /nfs/dbraw/zinc/99/50/74/426995074.db2.gz QPYJNPYVUKCFQP-UAFMIMERSA-N 2 0 316.489 2.894 20 0 DFADRP CC(C)[NH+]1CCN(CCC[NH2+]C(C)(C)c2ccccc2)CC1 ZINC000283293047 426992035 /nfs/dbraw/zinc/99/20/35/426992035.db2.gz MUTGOBBWHKMDMC-UHFFFAOYSA-N 2 0 303.494 2.927 20 0 DFADRP CC1(C)CC([NH2+][C@@H]2CCO[C@H](C(F)(F)F)C2)CC(C)(C)[NH2+]1 ZINC000314766975 426932371 /nfs/dbraw/zinc/93/23/71/426932371.db2.gz JBVUPNVXHJCDIM-PWSUYJOCSA-N 2 0 308.388 2.995 20 0 DFADRP CCC[N@H+](CC)C[C@@H](C)NC(=O)c1ccc(C[NH+](C)C)cc1 ZINC000291644179 426936502 /nfs/dbraw/zinc/93/65/02/426936502.db2.gz VYTBORUNSUZFMX-OAHLLOKOSA-N 2 0 305.466 2.598 20 0 DFADRP CCC[N@H+](C)C[C@@H]1CCN(C(=O)c2sccc2C[NH+](C)C)C1 ZINC000268172452 426937292 /nfs/dbraw/zinc/93/72/92/426937292.db2.gz VGXPJWCUMPPMFD-AWEZNQCLSA-N 2 0 323.506 2.614 20 0 DFADRP CCOC(=O)[C@H]1CC[C@@H]([NH2+]CCC[NH+](C)C)c2ccccc21 ZINC000283004220 426937524 /nfs/dbraw/zinc/93/75/24/426937524.db2.gz GMKFWMFPJAVLRJ-DLBZAZTESA-N 2 0 304.434 2.710 20 0 DFADRP C[C@@H]1CCCC[N@@H+]1CCC(=O)N1CCCC[C@H]1c1ncc[nH]1 ZINC000328792006 426998018 /nfs/dbraw/zinc/99/80/18/426998018.db2.gz RFDTXIIOURXVFN-CABCVRRESA-N 2 0 304.438 2.728 20 0 DFADRP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]C[C@H]1CCCO1 ZINC000276191446 427002495 /nfs/dbraw/zinc/00/24/95/427002495.db2.gz IHCQMYOMZRFFFG-JFRXWTBNSA-N 2 0 302.462 2.912 20 0 DFADRP C[N@@H+]1CC[C@]2(CCN(Cc3ccc(Br)cc3)C2)C1 ZINC000292048941 427069470 /nfs/dbraw/zinc/06/94/70/427069470.db2.gz BKRWSAXJJQUKDD-HNNXBMFYSA-N 2 0 309.251 2.977 20 0 DFADRP FCCC[C@@H]1CCC[C@@H]1[NH2+]C1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000337991948 427078547 /nfs/dbraw/zinc/07/85/47/427078547.db2.gz QBBPWXKVZVUUPA-RYRKJORJSA-N 2 0 312.473 2.995 20 0 DFADRP COCCC[NH+]1CCC([NH2+][C@H]2CCC[C@H]2CCCF)CC1 ZINC000338003428 427088467 /nfs/dbraw/zinc/08/84/67/427088467.db2.gz WIVHSYDZVUPEHW-RDJZCZTQSA-N 2 0 300.462 2.995 20 0 DFADRP O[C@@H]1CC[N@H+](Cc2ccccc2C[NH2+][C@@H]2CC[C@H]2C2CCC2)C1 ZINC000338009043 427090382 /nfs/dbraw/zinc/09/03/82/427090382.db2.gz FQGZXNMINWQAEW-HSALFYBXSA-N 2 0 314.473 2.922 20 0 DFADRP C[C@H]1CSCC[N@H+](C/C=C/C[NH+]2CCSC[C@@H](C)C2)C1 ZINC000190411521 427099898 /nfs/dbraw/zinc/09/98/98/427099898.db2.gz YFNVXGVTBIKNBF-ZOSBBBERSA-N 2 0 314.564 2.912 20 0 DFADRP CCC[N@H+](CC)Cc1ccc(C(=O)NC2CC[NH+](C)CC2)cc1 ZINC000338039923 427106392 /nfs/dbraw/zinc/10/63/92/427106392.db2.gz GVPYHTCTBUACJD-UHFFFAOYSA-N 2 0 317.477 2.743 20 0 DFADRP CC[NH+](CC)CCC[NH2+][C@H](C)c1cccc(N2CCOCC2)c1 ZINC000268730035 427106559 /nfs/dbraw/zinc/10/65/59/427106559.db2.gz LBLBTUYWNWYQHO-QGZVFWFLSA-N 2 0 319.493 2.906 20 0 DFADRP C[C@@H]1C[C@@H](NC(=O)C=Cc2c[nH]cn2)CC[N@@H+]1Cc1ccccc1 ZINC000276594450 427108635 /nfs/dbraw/zinc/10/86/35/427108635.db2.gz NKKWFKAWVSVYMU-DBYORWSCSA-N 2 0 324.428 2.592 20 0 DFADRP OC[C@@H]1CCC[N@@H+]1CCCC[NH2+][C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000249393476 427111049 /nfs/dbraw/zinc/11/10/49/427111049.db2.gz SFJMHRBHZYFHCR-KFWWJZLASA-N 2 0 322.415 2.934 20 0 DFADRP O=C(CC[C@H]1CCC[NH2+]1)Nc1ccc(CC[NH+]2CCCC2)cc1 ZINC000292157300 427111996 /nfs/dbraw/zinc/11/19/96/427111996.db2.gz UUKADYFNEPWGET-QGZVFWFLSA-N 2 0 315.461 2.796 20 0 DFADRP COC(=O)c1ccc(Cl)c(CN2CC[C@]3(CC[N@H+](C)C3)C2)c1 ZINC000292169457 427118663 /nfs/dbraw/zinc/11/86/63/427118663.db2.gz PNKHTBUAEFVNCA-KRWDZBQOSA-N 2 0 322.836 2.654 20 0 DFADRP CNC(=O)C[C@@H](C)[NH2+]Cc1ccc(C[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000268798696 427118985 /nfs/dbraw/zinc/11/89/85/427118985.db2.gz GXHUBFXKPVSOQD-CVEARBPZSA-N 2 0 317.477 2.675 20 0 DFADRP CNC(=O)C[C@H](C)[NH2+]Cc1ccccc1C[N@@H+]1CCC[C@@H](C)C1 ZINC000268802784 427121521 /nfs/dbraw/zinc/12/15/21/427121521.db2.gz HXFRMGPBLKINQV-CVEARBPZSA-N 2 0 317.477 2.533 20 0 DFADRP CCc1c(C)[nH+]c2ccccc2c1N1CCC[N@H+](CCO)CC1 ZINC000182721616 427131554 /nfs/dbraw/zinc/13/15/54/427131554.db2.gz ARJRSSJGKZRHCT-UHFFFAOYSA-N 2 0 313.445 2.610 20 0 DFADRP CO[C@@H](C)[C@@H](C)[NH2+]CCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000268830258 427131875 /nfs/dbraw/zinc/13/18/75/427131875.db2.gz WCWYWGDNICSJBD-MSOLQXFVSA-N 2 0 319.493 2.602 20 0 DFADRP CC[NH+](CC)CCOc1ccc(C[NH2+][C@@H](C)c2cn[nH]c2)cc1 ZINC000284103123 427134418 /nfs/dbraw/zinc/13/44/18/427134418.db2.gz MXFDJNFHKRIJFV-HNNXBMFYSA-N 2 0 316.449 2.981 20 0 DFADRP CCN1CC[NH+](CCCC[NH2+]Cc2cccc(C)c2F)CC1 ZINC000296295085 427139821 /nfs/dbraw/zinc/13/98/21/427139821.db2.gz FWFNLSVFIPQPKO-UHFFFAOYSA-N 2 0 307.457 2.641 20 0 DFADRP C[NH+]1CCC(O)(C[NH2+][C@H]2CCC[C@H]2c2ccc(F)cc2)CC1 ZINC000268969079 427142634 /nfs/dbraw/zinc/14/26/34/427142634.db2.gz HVCNEEMRZKBMDN-IRXDYDNUSA-N 2 0 306.425 2.508 20 0 DFADRP CC(C)[C@@H](C(=O)Nc1ccc2c(c1)C[NH2+]CC2)[NH+]1CCCCC1 ZINC000269196482 427151552 /nfs/dbraw/zinc/15/15/52/427151552.db2.gz IVEPCCQKGDDLSS-SFHVURJKSA-N 2 0 315.461 2.781 20 0 DFADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCC(C)(C)CO ZINC000296341375 427152319 /nfs/dbraw/zinc/15/23/19/427152319.db2.gz HWEXIABQDYAONT-AEFFLSMTSA-N 2 0 304.478 2.895 20 0 DFADRP CCC[NH2+][C@@H](C)C(=O)NC[C@H](c1ccsc1)[NH+](CC)CC ZINC000296349895 427152931 /nfs/dbraw/zinc/15/29/31/427152931.db2.gz IXUGWIYCNCXDPX-DZGCQCFKSA-N 2 0 311.495 2.635 20 0 DFADRP CCC[NH2+][C@H](C)C(=O)NC[C@@H](c1ccsc1)[NH+](CC)CC ZINC000296349899 427153295 /nfs/dbraw/zinc/15/32/95/427153295.db2.gz IXUGWIYCNCXDPX-HIFRSBDPSA-N 2 0 311.495 2.635 20 0 DFADRP CCc1ccc([C@@H](C)[NH2+]C[C@H](C)CN2CC[NH+](C)CC2)s1 ZINC000121074572 271017336 /nfs/dbraw/zinc/01/73/36/271017336.db2.gz GWUDZHXCXNIQSU-LSDHHAIUSA-N 2 0 309.523 2.845 20 0 DFADRP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@H]2CCc3ccc(C)cc32)CC1 ZINC000121312201 271024210 /nfs/dbraw/zinc/02/42/10/271024210.db2.gz LNWQVROWUPPFSQ-XLIONFOSSA-N 2 0 315.505 2.846 20 0 DFADRP [NH3+]CCCC(=O)NC[C@@H]1CCCC[N@@H+]1Cc1cccc(Cl)c1 ZINC000269279650 427161792 /nfs/dbraw/zinc/16/17/92/427161792.db2.gz ZULLJFJFOGPUMQ-INIZCTEOSA-N 2 0 323.868 2.550 20 0 DFADRP CC1CC[NH+](CCCNC(=O)[C@@H]2CCCCCC[C@H]2[NH3+])CC1 ZINC000163844794 271090800 /nfs/dbraw/zinc/09/08/00/271090800.db2.gz WRMCGAKXTZBRGA-IAGOWNOFSA-N 2 0 309.498 2.522 20 0 DFADRP CSc1ccccc1[C@@H](C)[NH2+]C[C@@H](C)CN1CC[NH+](C)CC1 ZINC000194882809 271229802 /nfs/dbraw/zinc/22/98/02/271229802.db2.gz MAXHUXFVIAWVGE-HZPDHXFCSA-N 2 0 321.534 2.943 20 0 DFADRP CC[NH+]1CCN([C@@H](C)C[NH2+]Cc2ccc(C)c(Cl)c2)CC1 ZINC000195437213 271234373 /nfs/dbraw/zinc/23/43/73/271234373.db2.gz TXVADPDJCPKXGE-HNNXBMFYSA-N 2 0 309.885 2.764 20 0 DFADRP C[NH+](C)CCCC[NH2+][C@@H]1CCCN(C(=O)OC(C)(C)C)CC1 ZINC000227260207 271235856 /nfs/dbraw/zinc/23/58/56/271235856.db2.gz LSZJQXBOPBBMAT-OAHLLOKOSA-N 2 0 313.486 2.707 20 0 DFADRP CCOC(=O)N1CCC([NH2+]C2CC(C)(C)[NH2+]C(C)(C)C2)CC1 ZINC000236878091 271240657 /nfs/dbraw/zinc/24/06/57/271240657.db2.gz UQUAWTJQSKGZOY-UHFFFAOYSA-N 2 0 311.470 2.506 20 0 DFADRP [NH3+]C[C@H]1CCCC[C@@H]1NC(=O)c1cccc(C[NH+]2CCCC2)c1 ZINC000237991255 271254446 /nfs/dbraw/zinc/25/44/46/271254446.db2.gz YDEWEEMXVIVVLG-MSOLQXFVSA-N 2 0 315.461 2.530 20 0 DFADRP CC(C)[C@H](C[NH2+]C[C@@H](C)CN1CC[NH+](C)CC1)c1ccccc1 ZINC000280797608 271327014 /nfs/dbraw/zinc/32/70/14/271327014.db2.gz GZYNDRHMKZFRJA-QUCCMNQESA-N 2 0 317.521 2.899 20 0 DFADRP CC(C)(C)[C@@H]1CCCC[C@H]1[NH2+]Cc1nnc(C2CC[NH2+]CC2)[nH]1 ZINC000333622668 271381287 /nfs/dbraw/zinc/38/12/87/271381287.db2.gz UOGSKYCGIPMOLR-HUUCEWRRSA-N 2 0 319.497 2.966 20 0 DFADRP C[NH+](C)[C@H]1CCC[N@H+](CCC(=O)Nc2cccc(F)c2)CC1 ZINC000277353298 427175284 /nfs/dbraw/zinc/17/52/84/427175284.db2.gz WUHRLABLHRVXTO-INIZCTEOSA-N 2 0 307.413 2.570 20 0 DFADRP CC(C)N(C)c1ccc(C[NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)cn1 ZINC000190754242 427176257 /nfs/dbraw/zinc/17/62/57/427176257.db2.gz BVVUNJWMNOYNMF-MRXNPFEDSA-N 2 0 302.466 2.500 20 0 DFADRP C[C@@H]1COCC[C@@H]1[NH2+]Cc1ccc(OC2CC[NH+](C)CC2)cc1 ZINC000284353777 427189207 /nfs/dbraw/zinc/18/92/07/427189207.db2.gz MMLSLGHFEDUJOI-BEFAXECRSA-N 2 0 318.461 2.674 20 0 DFADRP CC[N@@H+]1CC[C@H]([NH+](C)CCC(=O)Nc2ccc(F)cc2)[C@@H](C)C1 ZINC000252652487 427189637 /nfs/dbraw/zinc/18/96/37/427189637.db2.gz QREFSQKLAAAKAX-YOEHRIQHSA-N 2 0 321.440 2.816 20 0 DFADRP CCN(CCC[NH+](C)C)C(=O)c1ccc(C[NH+](CC)CC)cc1 ZINC000338202776 427190078 /nfs/dbraw/zinc/19/00/78/427190078.db2.gz FCPBEEJRAPPXQQ-UHFFFAOYSA-N 2 0 319.493 2.942 20 0 DFADRP C[NH+](C)C1CCN(CC[NH2+][C@H]2CCCc3cc(F)ccc32)CC1 ZINC000183075195 427192516 /nfs/dbraw/zinc/19/25/16/427192516.db2.gz HZZBFGKTDGKQGB-IBGZPJMESA-N 2 0 319.468 2.819 20 0 DFADRP Cc1cc(N2CC[C@@H]3OCC[N@@H+](C)[C@H]3C2)c2cc(F)ccc2[nH+]1 ZINC000284429722 427193754 /nfs/dbraw/zinc/19/37/54/427193754.db2.gz DAJXKDKFCXXNJY-ROUUACIJSA-N 2 0 315.392 2.592 20 0 DFADRP C[C@H](O)[C@](C)(C[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1)Cc1ccccc1 ZINC000253351276 427199593 /nfs/dbraw/zinc/19/95/93/427199593.db2.gz IYRIMFFUHZMMKF-FFGOWVMKSA-N 2 0 316.489 2.833 20 0 DFADRP O[C@H](CC1CCCC1)C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000190916525 427203383 /nfs/dbraw/zinc/20/33/83/427203383.db2.gz YFYOXKMJNLLNLJ-BHIYHBOVSA-N 2 0 306.494 2.876 20 0 DFADRP c1cnn(CC[NH2+][C@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)c1 ZINC000183149751 427211054 /nfs/dbraw/zinc/21/10/54/427211054.db2.gz HCZLPAZYDSNBDM-ZCNNSNEGSA-N 2 0 324.472 2.773 20 0 DFADRP Cc1nc2ccccc2n1CC[NH2+][C@H](c1nccn1C)C1CC1 ZINC000183237088 427230620 /nfs/dbraw/zinc/23/06/20/427230620.db2.gz ZSQAKRVVNQCRFD-KRWDZBQOSA-N 2 0 309.417 2.819 20 0 DFADRP CC[NH+](CC)CCCN1CCc2c(ccc(OC)c2OC)C1 ZINC000338281287 427231294 /nfs/dbraw/zinc/23/12/94/427231294.db2.gz CMRUSAYRHJZZAF-UHFFFAOYSA-N 2 0 306.450 2.794 20 0 DFADRP CCO[C@@H](CC[NH+](C)C)C[NH2+][C@H](C)c1cccc(F)c1F ZINC000183279958 427238051 /nfs/dbraw/zinc/23/80/51/427238051.db2.gz JWBPBFGIKUUYDH-OLZOCXBDSA-N 2 0 300.393 2.972 20 0 DFADRP CCO[C@@H](CC[NH+](C)C)C[NH2+][C@@H](C)c1cccc(F)c1F ZINC000183279922 427238592 /nfs/dbraw/zinc/23/85/92/427238592.db2.gz JWBPBFGIKUUYDH-STQMWFEESA-N 2 0 300.393 2.972 20 0 DFADRP CN(CCC[N@H+](C)C[C@H](O)c1ccc(F)cc1)Cc1ccco1 ZINC000285494451 427250057 /nfs/dbraw/zinc/25/00/57/427250057.db2.gz CGYSYRMNGXEPRR-SFHVURJKSA-N 2 0 320.408 2.906 20 0 DFADRP C[C@@H]([NH2+][C@H]1CCCOCC1)c1cccc(OCC[NH+](C)C)c1 ZINC000183350154 427251462 /nfs/dbraw/zinc/25/14/62/427251462.db2.gz NHPXMXANJKGGDH-WBVHZDCISA-N 2 0 306.450 2.847 20 0 DFADRP CN(C)c1cc[nH+]cc1C(=O)NCCCCC[NH+]1CCCCC1 ZINC000183598904 427299489 /nfs/dbraw/zinc/29/94/89/427299489.db2.gz QMVNYEBGYQTMAZ-UHFFFAOYSA-N 2 0 318.465 2.534 20 0 DFADRP C[C@@H](CN1CC[NH+](C)CC1)[NH2+][C@@H](C)c1csc(Cl)c1 ZINC000191274562 427306246 /nfs/dbraw/zinc/30/62/46/427306246.db2.gz WLFFFZDACIRTAX-RYUDHWBXSA-N 2 0 301.887 2.688 20 0 DFADRP CC(C)N1CC(NC(=O)c2cccc(Oc3ccncc3)c2)C1 ZINC000297017891 427307041 /nfs/dbraw/zinc/30/70/41/427307041.db2.gz HXEAQWIKKWIABX-UHFFFAOYSA-N 2 0 311.385 2.696 20 0 DFADRP CC(C)[N@H+](CC[C@H]1CCC[NH+]1C)C[C@@H](O)COc1ccccc1 ZINC000277776626 427317137 /nfs/dbraw/zinc/31/71/37/427317137.db2.gz LWKVYPLUXUHZSW-QZTJIDSGSA-N 2 0 320.477 2.621 20 0 DFADRP CC[C@@H](N[C@H](C)c1ccc(-n2ccnc2C)cc1)C(=O)OC ZINC000183684602 427318732 /nfs/dbraw/zinc/31/87/32/427318732.db2.gz DAVKHCXWWSHCSM-MLGOLLRUSA-N 2 0 301.390 2.783 20 0 DFADRP C[N@@H+](Cc1ccc(Br)o1)CC1CC[NH+](C)CC1 ZINC000191323497 427319565 /nfs/dbraw/zinc/31/95/65/427319565.db2.gz UQFCWNNBTQHQKU-UHFFFAOYSA-N 2 0 301.228 2.816 20 0 DFADRP CC[NH+]1CCC([NH2+]Cc2ccc(C)cc2-c2ccnn2C)CC1 ZINC000338436477 427320604 /nfs/dbraw/zinc/32/06/04/427320604.db2.gz LLJKXGMYCKWLIC-UHFFFAOYSA-N 2 0 312.461 2.969 20 0 DFADRP CC[N@@H+]1CCCC[C@H]1C(=O)Nc1cc(C)cc(C[NH+](C)C)c1 ZINC000270363844 427334948 /nfs/dbraw/zinc/33/49/48/427334948.db2.gz HNFBZLWTIDPGCG-KRWDZBQOSA-N 2 0 303.450 2.870 20 0 DFADRP C[C@@H](C[N@H+](C)Cc1ccccc1)NC(=O)c1ccc2c[nH+]cn2c1 ZINC000285788868 427338188 /nfs/dbraw/zinc/33/81/88/427338188.db2.gz XHQUEWYVRIQBEW-HNNXBMFYSA-N 2 0 322.412 2.585 20 0 DFADRP C[C@H]1CN(c2cccc3cnccc32)CC[N@@H+]1CC1CC[NH2+]CC1 ZINC000261831590 427340370 /nfs/dbraw/zinc/34/03/70/427340370.db2.gz JCTHXFYZYLGJTN-INIZCTEOSA-N 2 0 324.472 2.745 20 0 DFADRP C[C@@H]1CCC[C@](CNC(=O)c2ccc3c(c2)C[NH2+]C3)([NH+](C)C)C1 ZINC000261854636 427343063 /nfs/dbraw/zinc/34/30/63/427343063.db2.gz JVMJPUKWOHRHRV-KUHUBIRLSA-N 2 0 315.461 2.530 20 0 DFADRP COc1cccc(C2(F)CC[NH+](C[C@@]3(C)CC[NH2+]C3)CC2)c1 ZINC000261867900 427344637 /nfs/dbraw/zinc/34/46/37/427344637.db2.gz OEITWMWTYBGMRN-KRWDZBQOSA-N 2 0 306.425 2.955 20 0 DFADRP CC[NH+]1CCN(C[C@H](C)C[NH2+]Cc2ccc([C@@H]3C[C@H]3C)o2)CC1 ZINC000261969742 427348325 /nfs/dbraw/zinc/34/83/25/427348325.db2.gz CUQJNJBNMUQMGF-JFIYKMOQSA-N 2 0 319.493 2.766 20 0 DFADRP OCCCCC[N@@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000285614807 427289044 /nfs/dbraw/zinc/28/90/44/427289044.db2.gz QGZDPRHCGIHMTP-LJQANCHMSA-N 2 0 302.462 2.747 20 0 DFADRP COc1cccc(CN2CC[C@]3(C2)CCC[N@H+](C)C3)c1OC ZINC000293617426 427381255 /nfs/dbraw/zinc/38/12/55/427381255.db2.gz KLTCVTOMKYRART-GOSISDBHSA-N 2 0 304.434 2.622 20 0 DFADRP CC[C@@]1(C(=O)Nc2cc(C[NH3+])cc(C(F)(F)F)c2)CCC[NH2+]1 ZINC000262961565 427386082 /nfs/dbraw/zinc/38/60/82/427386082.db2.gz KIACETWPOXWHNT-AWEZNQCLSA-N 2 0 315.339 2.635 20 0 DFADRP CC(=O)Nc1ccccc1CN1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000293631213 427388108 /nfs/dbraw/zinc/38/81/08/427388108.db2.gz LKWOIOVHBFXSGW-SFHVURJKSA-N 2 0 301.434 2.563 20 0 DFADRP COCC[N@H+](C)CCCC1CC[NH+](Cc2cnccc2C)CC1 ZINC000271072557 427396088 /nfs/dbraw/zinc/39/60/88/427396088.db2.gz VZZZXARPMLZFTD-UHFFFAOYSA-N 2 0 319.493 2.960 20 0 DFADRP CO[C@H](C)[C@H](C)[NH2+][C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000191655376 427399799 /nfs/dbraw/zinc/39/97/99/427399799.db2.gz KYBJVUJHGOXVDX-HAYURNKSSA-N 2 0 302.462 2.910 20 0 DFADRP Cc1nnsc1C[NH2+][C@@H](C)c1ccc(OCC[NH+](C)C)cc1 ZINC000293692568 427406689 /nfs/dbraw/zinc/40/66/89/427406689.db2.gz NVTSTKATOQMPAX-LBPRGKRZSA-N 2 0 320.462 2.638 20 0 DFADRP FC(F)(F)c1ccnc(CC[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000293711888 427413591 /nfs/dbraw/zinc/41/35/91/427413591.db2.gz MWMLCVWTXVBKQC-LSDHHAIUSA-N 2 0 313.367 2.859 20 0 DFADRP CC[N@H+](C)[C@@H](C(=O)NCc1ccc2c[nH+]cn2c1)c1ccccc1 ZINC000297219123 427363964 /nfs/dbraw/zinc/36/39/64/427363964.db2.gz MOBCBHGHBCRNSF-GOSISDBHSA-N 2 0 322.412 2.644 20 0 DFADRP COC[C@@H](Cc1ccccc1)[NH2+]CC1(C[NH+](C)C)CCCC1 ZINC000183951049 427364563 /nfs/dbraw/zinc/36/45/63/427364563.db2.gz DHDWTBCXRNPUPC-GOSISDBHSA-N 2 0 304.478 2.956 20 0 DFADRP CCc1ccc2[nH+]ccc(N[C@@H](C)C[NH+]3CCN(C)CC3)c2c1 ZINC000297224874 427365677 /nfs/dbraw/zinc/36/56/77/427365677.db2.gz SXOXIEPBKPWAQY-HNNXBMFYSA-N 2 0 312.461 2.845 20 0 DFADRP CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)C[C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000263292931 427454477 /nfs/dbraw/zinc/45/44/77/427454477.db2.gz XDVJPBXDDARUKI-FGTMMUONSA-N 2 0 323.525 2.783 20 0 DFADRP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1ccc([S@](C)=O)cc1 ZINC000278797405 427454519 /nfs/dbraw/zinc/45/45/19/427454519.db2.gz QWCGQDYKNCMQRG-CDKDPZJASA-N 2 0 306.475 2.700 20 0 DFADRP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)C2([NH3+])CCCCC2)C1 ZINC000263299569 427455777 /nfs/dbraw/zinc/45/57/77/427455777.db2.gz ZAINGNUPLNSQCR-IAGOWNOFSA-N 2 0 321.509 2.761 20 0 DFADRP C[C@H](CN[C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21)C[NH+](C)C ZINC000293863072 427468919 /nfs/dbraw/zinc/46/89/19/427468919.db2.gz XVFHAKFZQDITIZ-GSEOLPGOSA-N 2 0 315.505 2.684 20 0 DFADRP CC(C)[NH+]1CCC(O)(C[NH2+]C/C=C/c2ccc(F)c(F)c2)CC1 ZINC000286266153 427473679 /nfs/dbraw/zinc/47/36/79/427473679.db2.gz BFIJJCSCDDOWQV-ONEGZZNKSA-N 2 0 324.415 2.803 20 0 DFADRP C[C@@H](C(=O)NCc1ccc(C[NH+]2CCCCCC2)cc1)[C@H](C)[NH3+] ZINC000192104276 427479677 /nfs/dbraw/zinc/47/96/77/427479677.db2.gz ZHDZNOBZKBDLGF-CVEARBPZSA-N 2 0 317.477 2.662 20 0 DFADRP CC(C)c1nccn1Cc1cccc(NC(=O)[C@@H](C)[C@H](C)[NH3+])c1 ZINC000192098486 427480484 /nfs/dbraw/zinc/48/04/84/427480484.db2.gz ZASCTMYRRWGESW-KBPBESRZSA-N 2 0 314.433 2.977 20 0 DFADRP C[C@H]([NH3+])[C@H](C)C(=O)NCc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000192104271 427480579 /nfs/dbraw/zinc/48/05/79/427480579.db2.gz ZHDZNOBZKBDLGF-HOTGVXAUSA-N 2 0 317.477 2.662 20 0 DFADRP C[C@H]([NH3+])[C@H](C)C(=O)NCc1ccccc1C[NH+]1CCC(C)CC1 ZINC000192094043 427480618 /nfs/dbraw/zinc/48/06/18/427480618.db2.gz KPFLTBIDEGLXMP-HOTGVXAUSA-N 2 0 317.477 2.518 20 0 DFADRP C[C@H]([NH2+]CCN1CC[N@H+](C)C(C)(C)C1)[C@H]1C[C@H]1c1ccccc1 ZINC000338778490 427481092 /nfs/dbraw/zinc/48/10/92/427481092.db2.gz FAYHNGQEHYJLQL-UHOSZYNNSA-N 2 0 315.505 2.794 20 0 DFADRP CC(C)c1nccn1Cc1cccc(NC(=O)[C@@H](C)[C@@H](C)[NH3+])c1 ZINC000192098476 427481147 /nfs/dbraw/zinc/48/11/47/427481147.db2.gz ZASCTMYRRWGESW-UONOGXRCSA-N 2 0 314.433 2.977 20 0 DFADRP C[C@@H]([NH3+])[C@@H](C)C(=O)Nc1ccc(-c2ncc3n2CCCC3)cc1 ZINC000192099798 427481173 /nfs/dbraw/zinc/48/11/73/427481173.db2.gz OWQMLILMCJKGAW-CHWSQXEVSA-N 2 0 312.417 2.808 20 0 DFADRP CC[NH+](CC)[C@H]1CCN([C@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000271283175 427482708 /nfs/dbraw/zinc/48/27/08/427482708.db2.gz OLNZFMRSGFFTHX-OALUTQOASA-N 2 0 301.478 2.677 20 0 DFADRP CC[NH+](CC)[C@H]1CCN([C@@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000271283172 427483383 /nfs/dbraw/zinc/48/33/83/427483383.db2.gz OLNZFMRSGFFTHX-MOPGFXCFSA-N 2 0 301.478 2.677 20 0 DFADRP O[C@@H]1CCC[C@@H]1[NH+]1CCC([NH2+]C(C2CCC2)C2CCC2)CC1 ZINC000338783667 427484306 /nfs/dbraw/zinc/48/43/06/427484306.db2.gz GBCFWZSFYRAMDT-ZWKOTPCHSA-N 2 0 306.494 2.923 20 0 DFADRP C[C@@H]([NH2+]C[C@@H](O)C[NH+]1CCC(C)CC1)[C@@H]1C[C@H]1c1ccccc1 ZINC000338783714 427485644 /nfs/dbraw/zinc/48/56/44/427485644.db2.gz HCCBNNVMFNOLQW-LMCOJAPRSA-N 2 0 316.489 2.861 20 0 DFADRP C[N@H+](CCNC(=O)CC1(C[NH3+])CCCCC1)Cc1ccccc1 ZINC000184228109 427420387 /nfs/dbraw/zinc/42/03/87/427420387.db2.gz ZWFNEVDROXLCTL-UHFFFAOYSA-N 2 0 317.477 2.534 20 0 DFADRP CC[NH+](CC)CCCN1CCC(C(=O)N[C@@H](C)C(C)C)CC1 ZINC000191779668 427424702 /nfs/dbraw/zinc/42/47/02/427424702.db2.gz CMSRDQPHFMFURE-INIZCTEOSA-N 2 0 311.514 2.591 20 0 DFADRP CC(C)CC[NH+]1CCN([C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000271301147 427487016 /nfs/dbraw/zinc/48/70/16/427487016.db2.gz SIHAQDZVVLAINY-FQEVSTJZSA-N 2 0 315.505 2.925 20 0 DFADRP C[C@]1([NH3+])CCCC[C@@H]1C(=O)NC1CC[NH+](CC2CCCC2)CC1 ZINC000263176584 427429943 /nfs/dbraw/zinc/42/99/43/427429943.db2.gz GGYCRAYYHGNZBH-MJGOQNOKSA-N 2 0 321.509 2.665 20 0 DFADRP CC(C)[C@@H]1OCC[C@H]1C[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000297691303 427430006 /nfs/dbraw/zinc/43/00/06/427430006.db2.gz PWEKEJJNNAKFFK-YJBOKZPZSA-N 2 0 303.450 2.701 20 0 DFADRP CC[N@@H+]1CC[C@H](C[NH2+][C@@H]2CCCN(Cc3ccccc3)[C@@H]2C)C1 ZINC000293779565 427431462 /nfs/dbraw/zinc/43/14/62/427431462.db2.gz QBDWMIDZMICMHU-MISYRCLQSA-N 2 0 315.505 2.971 20 0 DFADRP COC(=O)c1csc([C@H](C)[NH2+]CC2(C)CC[NH+](C)CC2)c1 ZINC000286132137 427432294 /nfs/dbraw/zinc/43/22/94/427432294.db2.gz OARYJOOTGHFSMT-LBPRGKRZSA-N 2 0 310.463 2.917 20 0 DFADRP COc1ccc(C[C@H](C)[NH2+]CC2=CC[N@H+](C)CC2)c(C)c1OC ZINC000286156735 427439439 /nfs/dbraw/zinc/43/94/39/427439439.db2.gz PDHDRAYTTBDNGV-AWEZNQCLSA-N 2 0 318.461 2.795 20 0 DFADRP C[C@H](CNC(=O)[C@@H](C)[C@H]([NH3+])c1ccccc1)[NH+]1CCC(C)CC1 ZINC000263239638 427444371 /nfs/dbraw/zinc/44/43/71/427444371.db2.gz FSLMCLLMOKPMIM-RYRKJORJSA-N 2 0 317.477 2.559 20 0 DFADRP C[C@H]([NH2+]CC1(C)CC[NH+](C)CC1)c1ccccc1-n1ccnn1 ZINC000286332247 427497569 /nfs/dbraw/zinc/49/75/69/427497569.db2.gz YLRYXDPLDIFAOS-HNNXBMFYSA-N 2 0 313.449 2.650 20 0 DFADRP CCN(CCC[NH+](CC)CC)Cc1ccc2c(c1)NC(=O)CO2 ZINC000293945705 427498348 /nfs/dbraw/zinc/49/83/48/427498348.db2.gz OPVCIQISGOOTLC-UHFFFAOYSA-N 2 0 319.449 2.571 20 0 DFADRP Cc1nccc(N2CCN(Cc3ccc([C@H]4C[C@@H]4C)o3)CC2)n1 ZINC000184769326 427535886 /nfs/dbraw/zinc/53/58/86/427535886.db2.gz UMDZFHOYTMTBCH-BBRMVZONSA-N 2 0 312.417 2.824 20 0 DFADRP C[C@H]([NH2+]C1CC[NH+]([C@H]2CCC[C@H]2O)CC1)c1cccc(F)c1 ZINC000271440594 427538244 /nfs/dbraw/zinc/53/82/44/427538244.db2.gz CGSKCVBMIKWVRJ-DOPJRALCSA-N 2 0 306.425 2.854 20 0 DFADRP CC1(C)C[C@H]([NH2+][C@@H]2CCCC[C@@H]2C[NH3+])c2cc(N)ccc2O1 ZINC000332190389 427539249 /nfs/dbraw/zinc/53/92/49/427539249.db2.gz CIWFSRHFFLBLTJ-WQVCFCJDSA-N 2 0 303.450 2.978 20 0 DFADRP CCC[N@H+](CC)Cc1ccc(C(=O)NC[C@H]2CCC[NH+]2C)cc1 ZINC000263697687 427545417 /nfs/dbraw/zinc/54/54/17/427545417.db2.gz RPJLDLVNFMPDRR-GOSISDBHSA-N 2 0 317.477 2.743 20 0 DFADRP C[C@@H](CO)CCC[NH2+][C@@H](C)c1cccc(OCC[NH+](C)C)c1 ZINC000271461109 427547613 /nfs/dbraw/zinc/54/76/13/427547613.db2.gz HLXPDLGVEWKGTC-CVEARBPZSA-N 2 0 308.466 2.686 20 0 DFADRP CCC[NH+]1CCC(N[C@@H](C[NH+](C)C)c2ccc(F)cc2)CC1 ZINC000286918804 427549092 /nfs/dbraw/zinc/54/90/92/427549092.db2.gz FLVBXWQAKAESEU-SFHVURJKSA-N 2 0 307.457 2.892 20 0 DFADRP c1cc(N2CCC([NH2+][C@@H]3[C@@H]4CCO[C@@H]4C34CCC4)CC2)cc[nH+]1 ZINC000294307402 427618463 /nfs/dbraw/zinc/61/84/63/427618463.db2.gz VOLLDYQHJOBLIW-KSZLIROESA-N 2 0 313.445 2.598 20 0 DFADRP C[C@H]1COCC[C@@H]1[NH2+]CC1CC[NH+](Cc2cccs2)CC1 ZINC000192520714 427557994 /nfs/dbraw/zinc/55/79/94/427557994.db2.gz LQNJHXHICZXZCA-YOEHRIQHSA-N 2 0 308.491 2.975 20 0 DFADRP C[C@H](CNC1CC[NH+](C2CC2)CC1)[N@H+](C)Cc1ccccc1 ZINC000298320869 427569750 /nfs/dbraw/zinc/56/97/50/427569750.db2.gz IHABJTXXFFVNKR-MRXNPFEDSA-N 2 0 301.478 2.723 20 0 DFADRP CCC[C@H]([NH2+]C[C@H](C(C)C)N1CC[NH+](C)CC1)c1cccnc1 ZINC000184976905 427572454 /nfs/dbraw/zinc/57/24/54/427572454.db2.gz AGOFNLOWVJFEMB-RBUKOAKNSA-N 2 0 318.509 2.784 20 0 DFADRP CCC[N@@H+]1CC[C@@H](C[NH2+][C@H](C)c2cccc(-n3ccnn3)c2)C1 ZINC000287308280 427573724 /nfs/dbraw/zinc/57/37/24/427573724.db2.gz CVEKPHOUQDBTRH-CVEARBPZSA-N 2 0 313.449 2.650 20 0 DFADRP CN(C)C[C@H]([NH2+]C1CCN(c2cc[nH+]cc2)CC1)c1ccccc1 ZINC000298334748 427575101 /nfs/dbraw/zinc/57/51/01/427575101.db2.gz IZAWFTVSQYYDRX-FQEVSTJZSA-N 2 0 324.472 2.943 20 0 DFADRP C[C@H]([NH3+])[C@H]1CCCCN1C(=O)NCC1([NH+](C)C)CCCCCC1 ZINC000332338215 427584831 /nfs/dbraw/zinc/58/48/31/427584831.db2.gz NCYXQEJOECJBPV-JKSUJKDBSA-N 2 0 324.513 2.552 20 0 DFADRP C[C@@H]([NH2+]CC[C@H]1CCCC[N@@H+]1C)c1ccc2c(c1)CC(=O)N2C ZINC000271826978 427588640 /nfs/dbraw/zinc/58/86/40/427588640.db2.gz OUXGGCPUQUOUSA-RHSMWYFYSA-N 2 0 315.461 2.731 20 0 DFADRP C[C@H]([NH2+]CC[C@H]1CCCC[N@@H+]1C)c1ccc2c(c1)CC(=O)N2C ZINC000271826980 427589749 /nfs/dbraw/zinc/58/97/49/427589749.db2.gz OUXGGCPUQUOUSA-WMLDXEAASA-N 2 0 315.461 2.731 20 0 DFADRP CC[NH+](CC)[C@@H](CNC(=O)CCc1ncc[nH]1)c1ccccc1 ZINC000279275224 427623527 /nfs/dbraw/zinc/62/35/27/427623527.db2.gz WYUXESZAJFSESY-INIZCTEOSA-N 2 0 314.433 2.542 20 0 DFADRP C[NH+](C)CCC1CC[NH+](C[C@@H](O)Cc2cccc(Cl)c2)CC1 ZINC000287411342 427602089 /nfs/dbraw/zinc/60/20/89/427602089.db2.gz SHHPNNGAOWAANU-SFHVURJKSA-N 2 0 324.896 2.907 20 0 DFADRP COc1ccc(C[NH2+]C2CCN(c3cc[nH+]cc3)CC2)cc1O ZINC000298437556 427609070 /nfs/dbraw/zinc/60/90/70/427609070.db2.gz NGWFFDWXWPWTAK-UHFFFAOYSA-N 2 0 313.401 2.554 20 0 DFADRP C[NH+](C)CCCC1CC[NH+]([C@@H]2Cc3ccccc3[C@@H]2O)CC1 ZINC000272041445 427611332 /nfs/dbraw/zinc/61/13/32/427611332.db2.gz OREJRDUXAOHRMK-MOPGFXCFSA-N 2 0 302.462 2.699 20 0 DFADRP c1ccc(C[N@H+]2CCC[C@@H]2CNC2CC[NH+](C3CC3)CC2)cc1 ZINC000298507439 427631295 /nfs/dbraw/zinc/63/12/95/427631295.db2.gz QSGQSXDCUXSPCD-HXUWFJFHSA-N 2 0 313.489 2.867 20 0 DFADRP CC[N@@H+]1CC[C@H](NC[C@@H]2CC[NH+](Cc3ccccc3)C2)[C@H](C)C1 ZINC000192921363 427634241 /nfs/dbraw/zinc/63/42/41/427634241.db2.gz ZNQLFWZCYAKVGK-HOJAQTOUSA-N 2 0 315.505 2.828 20 0 DFADRP c1nn2ccccc2c1C[NH2+]C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000192928248 427636458 /nfs/dbraw/zinc/63/64/58/427636458.db2.gz LAWSXPSMKKPDFU-GOSISDBHSA-N 2 0 320.440 2.946 20 0 DFADRP CC(C)N(CC[NH2+]C1CCN(c2cc[nH+]cc2)CC1)C(C)C ZINC000298530676 427639609 /nfs/dbraw/zinc/63/96/09/427639609.db2.gz SCUYFSLLUKCMSS-UHFFFAOYSA-N 2 0 304.482 2.759 20 0 DFADRP CCSc1cccc(C[NH2+]CC2CC[NH+](CCO)CC2)c1 ZINC000185522983 427665855 /nfs/dbraw/zinc/66/58/55/427665855.db2.gz ICYCWFRPRSZFQB-UHFFFAOYSA-N 2 0 308.491 2.593 20 0 DFADRP C[C@@H]1CC2(C[N@@H+]1Cc1nc(-c3ccsc3)no1)CC[NH2+]CC2 ZINC000333556304 427647308 /nfs/dbraw/zinc/64/73/08/427647308.db2.gz KGQHYMZIJRPFQP-GFCCVEGCSA-N 2 0 318.446 2.762 20 0 DFADRP CC(C)[C@@H](C[NH2+]C1CCN(c2cc[nH+]cc2)CC1)N1CCCC1 ZINC000298558836 427648923 /nfs/dbraw/zinc/64/89/23/427648923.db2.gz VRCBKFDJLVLOLJ-LJQANCHMSA-N 3 0 316.493 2.760 20 0 DFADRP C[NH+](C)CCN1CCC([NH2+]Cc2cc(Cl)cs2)CC1 ZINC000192999656 427649591 /nfs/dbraw/zinc/64/95/91/427649591.db2.gz HQYNGIHXYPEKJH-UHFFFAOYSA-N 2 0 301.887 2.517 20 0 DFADRP CCn1cc(C[NH2+][C@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)cn1 ZINC000272146957 427649547 /nfs/dbraw/zinc/64/95/47/427649547.db2.gz CMACAWYQOZICSQ-APWZRJJASA-N 2 0 312.461 2.903 20 0 DFADRP c1cn(-c2ccccc2)nc1CC[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000339065912 427657422 /nfs/dbraw/zinc/65/74/22/427657422.db2.gz DSORNKDAJMCRQE-HKUYNNGSSA-N 2 0 310.445 2.631 20 0 DFADRP COCC[N@H+](C)CCOc1cccc(C[NH2+][C@H]2CCC2(C)C)c1 ZINC000342719173 272046095 /nfs/dbraw/zinc/04/60/95/272046095.db2.gz AHZSVWNTFVKSBX-SFHVURJKSA-N 2 0 320.477 2.922 20 0 DFADRP CCC[N@H+](C)C[C@@H]1CCN(Cc2cnc(C(C)(C)C)nc2)C1 ZINC000342777647 272053082 /nfs/dbraw/zinc/05/30/82/272053082.db2.gz HXDCTGVZAXDSBH-HNNXBMFYSA-N 2 0 304.482 2.938 20 0 DFADRP C[C@H]([NH2+]Cc1ccc(OC2CC[NH+](C)CC2)cc1)[C@H]1CCCO1 ZINC000342812194 272056674 /nfs/dbraw/zinc/05/66/74/272056674.db2.gz JSSHGOPDVVTOQJ-HNAYVOBHSA-N 2 0 318.461 2.817 20 0 DFADRP C[C@H]1CN(C)C[C@@H]1[NH2+]Cc1ccccc1C[NH+]1CCCCC1 ZINC000343031781 272077404 /nfs/dbraw/zinc/07/74/04/272077404.db2.gz BTRMXBSIPBAXTG-LPHOPBHVSA-N 2 0 301.478 2.712 20 0 DFADRP CC[NH+]1CCN([C@@H](C)C[NH2+][C@@H]2CCc3ccc(Cl)cc32)CC1 ZINC000343091143 272084747 /nfs/dbraw/zinc/08/47/47/272084747.db2.gz CJAAKKLZZGHNHT-KBXCAEBGSA-N 2 0 321.896 2.943 20 0 DFADRP CCSc1cccc(C[NH2+]C[C@@H](C)N2CC[NH+](C)CC2)c1 ZINC000185518578 427666399 /nfs/dbraw/zinc/66/63/99/427666399.db2.gz ZIYVRHZVOLMZJZ-OAHLLOKOSA-N 2 0 307.507 2.524 20 0 DFADRP CC[NH+](CC)CCC[C@H](C)[NH2+]C[C@@H]1CCO[C@H]1c1ccnn1C ZINC000343351902 272125771 /nfs/dbraw/zinc/12/57/71/272125771.db2.gz FCBYCEVXBBDGQR-XYJFISCASA-N 2 0 322.497 2.598 20 0 DFADRP COC(=O)c1occc1C[NH2+]CCCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000343563068 272171149 /nfs/dbraw/zinc/17/11/49/272171149.db2.gz GCJYRDUHHBQSEK-HUUCEWRRSA-N 2 0 322.449 2.914 20 0 DFADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]CCC2(OC)CCC2)[C@H](C)C1 ZINC000339096383 427675035 /nfs/dbraw/zinc/67/50/35/427675035.db2.gz MITGMCBSHXVLRU-SJORKVTESA-N 2 0 312.498 2.672 20 0 DFADRP CC[NH+](CC)CC1CC[NH+]([C@H](C)C(=O)NC(C)(C)CC)CC1 ZINC000343581921 272176739 /nfs/dbraw/zinc/17/67/39/272176739.db2.gz PJRHCRQZEKENEI-OAHLLOKOSA-N 2 0 311.514 2.734 20 0 DFADRP C[C@@H](C[NH2+][C@@H](C)c1cccc(-n2ccnn2)c1)C[NH+]1CCCC1 ZINC000287708797 427675601 /nfs/dbraw/zinc/67/56/01/427675601.db2.gz NZWJNEAVWZNGNS-HOTGVXAUSA-N 2 0 313.449 2.650 20 0 DFADRP C[C@@H]([NH2+]CC1=CCCOC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272218239 427676181 /nfs/dbraw/zinc/67/61/81/427676181.db2.gz RMJYHPVYMQDUOI-VQIMIIECSA-N 2 0 300.446 2.833 20 0 DFADRP CCC[N@@H+]1CCC[C@H]1CNC(=O)[C@H]1CCCC[NH+]1C1CCCC1 ZINC000343641144 272191048 /nfs/dbraw/zinc/19/10/48/272191048.db2.gz NXUQHLQVBQUJLU-ZWKOTPCHSA-N 2 0 321.509 2.774 20 0 DFADRP CCC[N@@H+]1CCC[C@H]1CNC(=O)[C@H]1CC[NH+](C2CCCCC2)C1 ZINC000343655861 272194567 /nfs/dbraw/zinc/19/45/67/272194567.db2.gz IPJVUJOWBZQYCJ-WMZOPIPTSA-N 2 0 321.509 2.632 20 0 DFADRP C[C@@H]1CCC[C@H](C[N@@H+]2CCN(C3CC[NH+](C)CC3)[C@@H](C)C2)C1 ZINC000343720489 272207592 /nfs/dbraw/zinc/20/75/92/272207592.db2.gz VFRVHNIEIONIPF-SQNIBIBYSA-N 2 0 307.526 2.913 20 0 DFADRP C[N@H+](CCCN1CC[NH+](C)CC1)[C@@H]1CCc2ccc(Cl)cc21 ZINC000343752778 272211739 /nfs/dbraw/zinc/21/17/39/272211739.db2.gz RURAXWKFWMQQDH-GOSISDBHSA-N 2 0 321.896 2.897 20 0 DFADRP CO[C@@H]1[C@H](C)[C@@H]([NH2+]CCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)C1(C)C ZINC000344070463 272256654 /nfs/dbraw/zinc/25/66/54/272256654.db2.gz SMUYZBZXZMCGJD-ZHCJQAHYSA-N 2 0 312.498 2.525 20 0 DFADRP CCc1cnc(C[NH2+]CCCC[NH+]2C[C@H](C)O[C@@H](C)C2)s1 ZINC000344109741 272265057 /nfs/dbraw/zinc/26/50/57/272265057.db2.gz ITYFTWZLTNSEFY-KBPBESRZSA-N 2 0 311.495 2.685 20 0 DFADRP C[NH+](C)C1CCN(CC[NH2+][C@@H]2CCCc3ccc(F)cc32)CC1 ZINC000344178854 272280366 /nfs/dbraw/zinc/28/03/66/272280366.db2.gz WNKDQALBOWSCDW-LJQANCHMSA-N 2 0 319.468 2.819 20 0 DFADRP CC(C)n1nccc1[C@@H]1OCC[C@@H]1[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000344248414 272296510 /nfs/dbraw/zinc/29/65/10/272296510.db2.gz LDFCBJQUYJOXDY-UIBIWLFHSA-N 2 0 318.465 2.510 20 0 DFADRP CO[C@H](c1ccccc1F)[C@H](C)[NH2+][C@@H]1CN(C2CC2)C[C@H]1C ZINC000344292091 272305921 /nfs/dbraw/zinc/30/59/21/272305921.db2.gz OLSCSZMBFMMENQ-OBQMCUGOSA-N 2 0 306.425 2.974 20 0 DFADRP CC(C)[C@H](O)C1(C[NH2+][C@@H]2CN(Cc3ccccc3)C[C@@H]2C)CC1 ZINC000344293166 272306563 /nfs/dbraw/zinc/30/65/63/272306563.db2.gz HIYAYLIVGILYDY-UHOSZYNNSA-N 2 0 316.489 2.894 20 0 DFADRP C[C@@H]1[C@H]([NH2+]Cc2ccc(Oc3cnccn3)cc2)CCCN1C ZINC000344318351 272311088 /nfs/dbraw/zinc/31/10/88/272311088.db2.gz AZENDRVUSHQSBT-RHSMWYFYSA-N 2 0 312.417 2.841 20 0 DFADRP C[C@@H](c1ccccc1)[NH+]1CCC(N[C@@H]2C[N@H+](C)C[C@H]2C)CC1 ZINC000344374054 272323663 /nfs/dbraw/zinc/32/36/63/272323663.db2.gz SXVSXBSKAOWXLJ-JTDSTZFVSA-N 2 0 301.478 2.752 20 0 DFADRP C[C@@H]1C[C@H]([NH2+]Cc2c[nH]nc2-c2ccccc2F)CC[N@@H+]1C ZINC000344633273 272349962 /nfs/dbraw/zinc/34/99/62/272349962.db2.gz RHTLTDGXRAETLC-TZMCWYRMSA-N 2 0 302.397 2.788 20 0 DFADRP C[C@H]([NH2+][C@H]1C[C@H](C)N(C2CC2)C1)c1cccc(-n2ccnn2)c1 ZINC000287781752 427692196 /nfs/dbraw/zinc/69/21/96/427692196.db2.gz SDXVXBKQAZPTEI-DZKIICNBSA-N 2 0 311.433 2.543 20 0 DFADRP C[C@H](N[C@@H]1CC[N@H+](C)[C@H](C)C1)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000272278112 427696532 /nfs/dbraw/zinc/69/65/32/427696532.db2.gz CMJONURMUSGRDS-LCLWPZTBSA-N 2 0 315.505 2.969 20 0 DFADRP C[C@H](CCO)C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000272283094 427696657 /nfs/dbraw/zinc/69/66/57/427696657.db2.gz AMLOFAQGUZGXGR-OWYHZJEWSA-N 2 0 302.462 2.790 20 0 DFADRP CC[C@@H]([NH2+]Cc1cccc(C[NH+](C)C)c1)C1(C(=O)OC)CCC1 ZINC000272341624 427713743 /nfs/dbraw/zinc/71/37/43/427713743.db2.gz BTNDGYKGELZUGE-QGZVFWFLSA-N 2 0 318.461 2.960 20 0 DFADRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+]Cc1ccc(F)cc1Cl ZINC000185864535 427720741 /nfs/dbraw/zinc/72/07/41/427720741.db2.gz VNLMBTGSUCNXCQ-CYBMUJFWSA-N 2 0 313.848 2.595 20 0 DFADRP CC(C)(C)[NH+]1CCC([NH2+][C@H]2CCO[C@@H](C(F)(F)F)C2)CC1 ZINC000336847910 427757779 /nfs/dbraw/zinc/75/77/79/427757779.db2.gz GVIDYMAFMJFNJA-QWHCGFSZSA-N 2 0 308.388 2.949 20 0 DFADRP COc1ccc(F)c(C[NH2+][C@@H]2CCO[C@H](c3cncn3C)C2)c1 ZINC000339357108 427759631 /nfs/dbraw/zinc/75/96/31/427759631.db2.gz DXPOALQPHZYQOZ-DYVFJYSZSA-N 2 0 319.380 2.578 20 0 DFADRP CC[NH+](CC)CC1CC[NH+](C[C@H](O)Cc2ccccc2)CC1 ZINC000336858111 427763016 /nfs/dbraw/zinc/76/30/16/427763016.db2.gz XCOLHHWCULZGBB-LJQANCHMSA-N 2 0 304.478 2.644 20 0 DFADRP C[C@@H]1CC(C)(C)C[C@@H]1[NH2+]C[C@@H](O)CN1CCc2ccccc2C1 ZINC000339546565 427790949 /nfs/dbraw/zinc/79/09/49/427790949.db2.gz VTQZERPAVYAULZ-LZQZEXGQSA-N 2 0 316.489 2.820 20 0 DFADRP CC[C@@H]([NH2+]C[C@H](C(C)C)N1CC[NH+](C)CC1)c1ccc(F)cn1 ZINC000336872173 427768453 /nfs/dbraw/zinc/76/84/53/427768453.db2.gz LANCCYWWYCFXHQ-SJLPKXTDSA-N 2 0 322.472 2.533 20 0 DFADRP [NH3+]CCCOC1CC[NH+](CCSCc2ccccc2)CC1 ZINC000339409004 427769799 /nfs/dbraw/zinc/76/97/99/427769799.db2.gz VVUWUOKAOZKQJE-UHFFFAOYSA-N 2 0 308.491 2.750 20 0 DFADRP CC[C@H](C(=O)NCC[N@@H+](C)[C@@H](C)CC)[NH+](C)Cc1ccccc1 ZINC000339418239 427770778 /nfs/dbraw/zinc/77/07/78/427770778.db2.gz BNTRPGLJHYDFSC-FUHWJXTLSA-N 2 0 319.493 2.744 20 0 DFADRP CC[C@@H]([NH2+]Cc1nc2c(s1)CN(C(C)C)CC2)C(C)(C)O ZINC000339544761 427791147 /nfs/dbraw/zinc/79/11/47/427791147.db2.gz VWZMBLNOVWHUMG-CQSZACIVSA-N 2 0 311.495 2.549 20 0 DFADRP C[C@H](F)CC[NH2+]Cc1c(Cl)cccc1N1CC[NH+](C)CC1 ZINC000339489675 427783045 /nfs/dbraw/zinc/78/30/45/427783045.db2.gz SFWYLBJLMUELCW-ZDUSSCGKSA-N 2 0 313.848 2.930 20 0 DFADRP FC(F)(F)[C@@H]1C[C@H]([NH2+]CCCCC[NH+]2CCCC2)CCO1 ZINC000339499664 427783999 /nfs/dbraw/zinc/78/39/99/427783999.db2.gz HBLUZXKTASRASG-KGLIPLIRSA-N 2 0 308.388 2.952 20 0 DFADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)C1=CCCCCC1 ZINC000339509734 427785523 /nfs/dbraw/zinc/78/55/23/427785523.db2.gz OLEGOBGERQVXEB-UHFFFAOYSA-N 2 0 309.498 2.609 20 0 DFADRP C[C@H]([NH2+][C@@H]1C[C@H](O)C1(C)C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000336657504 427746358 /nfs/dbraw/zinc/74/63/58/427746358.db2.gz SAAGRGNFMNHMDF-OWLYRPNTSA-N 2 0 302.462 2.646 20 0 DFADRP CC(C)(O)C[N@@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000336655136 427746436 /nfs/dbraw/zinc/74/64/36/427746436.db2.gz GANCHMXLEDUBPQ-UHFFFAOYSA-N 2 0 302.462 2.745 20 0 DFADRP C[N@H+]1C[C@H]2CN(Cc3cccn3Cc3cccs3)C[C@H]2C1 ZINC000194542415 427747222 /nfs/dbraw/zinc/74/72/22/427747222.db2.gz GDBPXXXLCUMOEN-GASCZTMLSA-N 2 0 301.459 2.591 20 0 DFADRP c1ccc(C[NH+]2CC[C@H]3C[N@@H+](CCOCC4CC4)C[C@H]3C2)cc1 ZINC000336713824 427749359 /nfs/dbraw/zinc/74/93/59/427749359.db2.gz NRZVKIUZBOWVJX-VQTJNVASSA-N 2 0 314.473 2.867 20 0 DFADRP c1ccc(C[NH+]2CC[C@@H]3C[N@@H+](C[C@H]4CCCOC4)C[C@@H]3C2)cc1 ZINC000336713542 427749506 /nfs/dbraw/zinc/74/95/06/427749506.db2.gz NCESFFQVACBYLY-AQNXPRMDSA-N 2 0 314.473 2.867 20 0 DFADRP C[C@H]([NH2+]C[C@](C)(O)C(F)(F)F)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000337206774 427815139 /nfs/dbraw/zinc/81/51/39/427815139.db2.gz NEKIEEVUHGPHOK-OBJOEFQTSA-N 2 0 308.388 2.542 20 0 DFADRP CC(C)[NH+]1CCN(CCC[N@@H+]2CC[C@H]2Cc2ccccc2)CC1 ZINC000337257675 427825920 /nfs/dbraw/zinc/82/59/20/427825920.db2.gz UKSDCDGRMYEWPS-FQEVSTJZSA-N 2 0 315.505 2.720 20 0 DFADRP CCCc1cc(N2C[C@@H]3[C@H](C2)OCC[N@@H+]3C)c2ccccc2[nH+]1 ZINC000301803330 427826164 /nfs/dbraw/zinc/82/61/64/427826164.db2.gz UGURNIXEJBGQLG-MOPGFXCFSA-N 2 0 311.429 2.707 20 0 DFADRP CN(CC[C@@H]1CCCC[N@@H+]1C)c1cc(NCC2CC2)ncn1 ZINC000301840284 427828557 /nfs/dbraw/zinc/82/85/57/427828557.db2.gz XZVXHCVDHNKHMY-HNNXBMFYSA-N 2 0 303.454 2.609 20 0 DFADRP C[C@@H]1CCCC[N@@H+]1CCCNc1cc(NCC2CC2)ncn1 ZINC000301842394 427828736 /nfs/dbraw/zinc/82/87/36/427828736.db2.gz ZVPKXEVUTHUSMZ-CQSZACIVSA-N 2 0 303.454 2.975 20 0 DFADRP COCCN1CCC[C@@H]1C[NH2+][C@H](c1ccc(F)cc1)C1CC1 ZINC000359397933 427834701 /nfs/dbraw/zinc/83/47/01/427834701.db2.gz ZAFRSYUJGHLTOV-MSOLQXFVSA-N 2 0 306.425 2.977 20 0 DFADRP CC[NH+](CC)CCOCC[NH2+][C@H]1CCCOc2cc(F)ccc21 ZINC000349663492 427839411 /nfs/dbraw/zinc/83/94/11/427839411.db2.gz KDRANPDXQQEWDW-KRWDZBQOSA-N 2 0 324.440 2.987 20 0 DFADRP CCc1cnccc1[C@@H](C)[NH2+]CCCN1CC[NH+](C(C)C)CC1 ZINC000337312024 427839463 /nfs/dbraw/zinc/83/94/63/427839463.db2.gz DKZQJWZPBSOZRE-QGZVFWFLSA-N 2 0 318.509 2.711 20 0 DFADRP Cc1cnc([C@@H](C)[NH2+]CCCN2CC[NH+](C(C)C)CC2)s1 ZINC000337312036 427839744 /nfs/dbraw/zinc/83/97/44/427839744.db2.gz DLPGSXIKSBPPBL-OAHLLOKOSA-N 2 0 310.511 2.518 20 0 DFADRP Cc1ccc(C(C)(C)[NH2+]CCCN2CC[NH+](C(C)C)CC2)cn1 ZINC000337314890 427839855 /nfs/dbraw/zinc/83/98/55/427839855.db2.gz IQQQWNOOZCXERU-UHFFFAOYSA-N 2 0 318.509 2.631 20 0 DFADRP Cc1cc([C@@H]2CCC[N@H+]2CCCN2CC[NH+](C(C)C)CC2)on1 ZINC000337335604 427849922 /nfs/dbraw/zinc/84/99/22/427849922.db2.gz LZCNQSJVPYSPSY-KRWDZBQOSA-N 2 0 320.481 2.536 20 0 DFADRP CC(C)OC[C@@H](C)[NH2+]Cc1ccccc1C[NH+]1CCC(O)CC1 ZINC000337335757 427850012 /nfs/dbraw/zinc/85/00/12/427850012.db2.gz LSNKLHLXHRUEIM-MRXNPFEDSA-N 2 0 320.477 2.546 20 0 DFADRP C[C@@H]([NH2+]Cc1ccc(OCC[NH+](C)C)cc1)[C@]1(C)CCCO1 ZINC000340459209 427852098 /nfs/dbraw/zinc/85/20/98/427852098.db2.gz CNGCEQASDPKQGD-QAPCUYQASA-N 2 0 306.450 2.674 20 0 DFADRP Cc1nccnc1CC[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000340488153 427861600 /nfs/dbraw/zinc/86/16/00/427861600.db2.gz AMTLDENKAUZCEH-UHFFFAOYSA-N 2 0 302.466 2.714 20 0 DFADRP CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CCCC[C@]1(C)[NH3+] ZINC000345726982 427878066 /nfs/dbraw/zinc/87/80/66/427878066.db2.gz ZEDOKCQDJIEDGR-NUJGCVRESA-N 2 0 309.498 2.665 20 0 DFADRP C[C@H](CCNC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1)[NH+]1CCCCC1 ZINC000345758220 427891096 /nfs/dbraw/zinc/89/10/96/427891096.db2.gz XLWQXRYOEXMOHY-AEFFLSMTSA-N 2 0 321.509 2.774 20 0 DFADRP C[C@@H](C(=O)N1C[C@H](C)C[C@H](C)C1)[NH+]1CCC(CC[NH+](C)C)CC1 ZINC000340636834 427910860 /nfs/dbraw/zinc/91/08/60/427910860.db2.gz ZHTPIGAZEHJDNX-BBWFWOEESA-N 2 0 323.525 2.543 20 0 DFADRP CC(C)C[C@H](C[NH+](C)C)NC(=O)[C@@H](C)[N@H+](C)Cc1ccccc1 ZINC000345808563 427916162 /nfs/dbraw/zinc/91/61/62/427916162.db2.gz RHEFKGHYQQYUAU-SJLPKXTDSA-N 2 0 319.493 2.599 20 0 DFADRP COCC[C@@H]1CCC[C@@H]1[NH2+]C1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000337468894 427920041 /nfs/dbraw/zinc/92/00/41/427920041.db2.gz MTTBAQUGQVNAME-KANFNMMFSA-N 2 0 324.509 2.549 20 0 DFADRP COC(=O)[C@H](C1CC1)N1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000359589649 427923586 /nfs/dbraw/zinc/92/35/86/427923586.db2.gz HLKLTOGYYOCABT-VYDXJSESSA-N 2 0 308.466 2.524 20 0 DFADRP CC[N@@H+]1C[C@H](C)N(C(=O)[C@H]2CC[NH+](C3CCCCC3)C2)C[C@@H]1C ZINC000345933220 427957815 /nfs/dbraw/zinc/95/78/15/427957815.db2.gz AKMAYIVNJGXKMS-ULQDDVLXSA-N 2 0 321.509 2.582 20 0 DFADRP C[C@@H]1[C@H]([NH2+][C@H]2CCN(C3CC3)C2)CCCN1Cc1ccccc1 ZINC000340235015 427960370 /nfs/dbraw/zinc/96/03/70/427960370.db2.gz JFHMNVITMQZBOG-IMFGXOCKSA-N 2 0 313.489 2.866 20 0 DFADRP C[C@@H]1[C@H]([NH2+][C@@H]2CCN(C3CC3)C2)CCCN1Cc1ccccc1 ZINC000340235022 427960707 /nfs/dbraw/zinc/96/07/07/427960707.db2.gz JFHMNVITMQZBOG-YVWKXTFCSA-N 2 0 313.489 2.866 20 0 DFADRP CN1CC[C@@H]([NH2+]CC2CC[NH+](C)CC2)C[C@@H]1c1ccccc1 ZINC000340228538 427961058 /nfs/dbraw/zinc/96/10/58/427961058.db2.gz JZEXVYXVZUZQJU-RTBURBONSA-N 2 0 301.478 2.753 20 0 DFADRP C[C@H]1C[N@H+](C)CC[C@H]1[NH2+]Cc1cccc(C[NH+]2CCCC2)c1 ZINC000359678974 427968263 /nfs/dbraw/zinc/96/82/63/427968263.db2.gz OSNACBRMAHPODI-QFBILLFUSA-N 3 0 301.478 2.712 20 0 DFADRP CC[C@@H](C(=O)Nc1cccc(OCC[NH+](C)C)c1)[NH+](CC)CC ZINC000345990231 427977245 /nfs/dbraw/zinc/97/72/45/427977245.db2.gz YMOXGIQJYAAQER-KRWDZBQOSA-N 2 0 321.465 2.686 20 0 DFADRP C[C@H]1[C@@H]([NH2+]CC2=CC[N@H+](C)CC2)CCCN1Cc1ccccc1 ZINC000340314542 427984091 /nfs/dbraw/zinc/98/40/91/427984091.db2.gz DVJCMEYLKCNNAL-PXNSSMCTSA-N 2 0 313.489 2.891 20 0 DFADRP C[NH+](C)CCC1CC[NH+]([C@H]2CCCN(CC(C)(C)C)C2=O)CC1 ZINC000359614378 427935904 /nfs/dbraw/zinc/93/59/04/427935904.db2.gz VAPVAEHFCGJXIW-KRWDZBQOSA-N 2 0 323.525 2.687 20 0 DFADRP CC[N@H+](CCC1CC[NH+](Cc2ccn(C)n2)CC1)CC1CC1 ZINC000355885888 427936236 /nfs/dbraw/zinc/93/62/36/427936236.db2.gz BTFFJEBDZSMVIR-UHFFFAOYSA-N 2 0 304.482 2.754 20 0 DFADRP C[C@@H](CCCC(F)(F)F)[NH2+]CCN1CCC([NH+](C)C)CC1 ZINC000359621000 427941015 /nfs/dbraw/zinc/94/10/15/427941015.db2.gz NXWHOCKKFSAAMK-ZDUSSCGKSA-N 2 0 309.420 2.723 20 0 DFADRP C[C@H](CCCC(F)(F)F)[NH2+]CC1CC[NH+](CCN(C)C)CC1 ZINC000359631700 427944694 /nfs/dbraw/zinc/94/46/94/427944694.db2.gz AYQIOUPEJZEMMB-CQSZACIVSA-N 2 0 323.447 2.971 20 0 DFADRP C[N@@H+]1CC[C@H](NC[C@H]2CC[NH+](C3CC3)C2)C[C@H]1c1ccccc1 ZINC000340175495 427945230 /nfs/dbraw/zinc/94/52/30/427945230.db2.gz LDADMSDUDJXNRP-KPFFTGBYSA-N 3 0 313.489 2.896 20 0 DFADRP C[N@@H+]1CC[C@H](NC[C@H]2CC[NH+](C3CC3)C2)C[C@@H]1c1ccccc1 ZINC000340175494 427945416 /nfs/dbraw/zinc/94/54/16/427945416.db2.gz LDADMSDUDJXNRP-IMFGXOCKSA-N 3 0 313.489 2.896 20 0 DFADRP CC[C@@H]([NH2+]CCC[NH+]1CCCC1)c1ccc(C(=O)OC)cc1 ZINC000340179751 427947998 /nfs/dbraw/zinc/94/79/98/427947998.db2.gz HDMLHOYFCRQGMI-QGZVFWFLSA-N 2 0 304.434 3.000 20 0 DFADRP CC(C)[N@H+](C)CCC[NH2+][C@H]1CCN(Cc2ccccn2)C[C@@H]1C ZINC000359641221 427949434 /nfs/dbraw/zinc/94/94/34/427949434.db2.gz MVQXSNUGZQDNRG-HKUYNNGSSA-N 2 0 318.509 2.612 20 0 DFADRP CCC[NH+](CCC)CCCC(=O)N1C[C@@H](C)[N@H+](CC)C[C@@H]1C ZINC000345917063 427949685 /nfs/dbraw/zinc/94/96/85/427949685.db2.gz JXQUGTRUNHELMV-SJORKVTESA-N 2 0 311.514 2.830 20 0 DFADRP C[N@@H+]1CCCC[C@@H]1CC[NH+]1CCC[C@@H](c2nncn2C2CC2)C1 ZINC000340914158 427951276 /nfs/dbraw/zinc/95/12/76/427951276.db2.gz LVBQHLAJPDFFTL-HZPDHXFCSA-N 2 0 317.481 2.667 20 0 DFADRP CN(Cc1noc(-c2ccccc2)n1)C[C@H]1CCc2nccn2C1 ZINC000369640444 428023748 /nfs/dbraw/zinc/02/37/48/428023748.db2.gz RYRKXLLYPSIHMJ-CQSZACIVSA-N 2 0 323.400 2.628 20 0 DFADRP C[C@H]1C[N@@H+]2CCCC[C@H]2CN1CC[NH+](C)Cc1ccc(F)cc1 ZINC000359850523 428046847 /nfs/dbraw/zinc/04/68/47/428046847.db2.gz AUHNPRRQXGMPGH-LPHOPBHVSA-N 2 0 319.468 2.816 20 0 DFADRP C[C@@H]1C[C@H](CC[NH2+][C@@H]2CC[N@H+](C[C@H]3CCCO3)C[C@H]2C)CCO1 ZINC000359864196 428050338 /nfs/dbraw/zinc/05/03/38/428050338.db2.gz AUYVWWHSBBVSTB-FVVUREQNSA-N 2 0 324.509 2.671 20 0 DFADRP Cn1cc2c(n1)CCC[C@H]2[NH2+]C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000377093178 428054243 /nfs/dbraw/zinc/05/42/43/428054243.db2.gz JOWQHELUSCFFJM-IEBWSBKVSA-N 2 0 324.472 2.909 20 0 DFADRP CC[NH+](CC)CCCC1CC[NH+](Cc2cc(=O)c(O)co2)CC1 ZINC000359884867 428059518 /nfs/dbraw/zinc/05/95/18/428059518.db2.gz ODFZRFOPODTHPZ-UHFFFAOYSA-N 2 0 322.449 2.679 20 0 DFADRP CC(C)(C)c1ccc(CC[NH2+]CC2CC[NH+](CCO)CC2)cc1 ZINC000356187482 428060351 /nfs/dbraw/zinc/06/03/51/428060351.db2.gz CMFPECXPRJKHDD-UHFFFAOYSA-N 2 0 318.505 2.821 20 0 DFADRP C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@@H]1[NH2+]C[C@@H]1CCCSC1 ZINC000376826076 428006577 /nfs/dbraw/zinc/00/65/77/428006577.db2.gz NPEOFPYNWGFZSX-QZWWFDLISA-N 2 0 312.523 2.609 20 0 DFADRP CCC(C)(C)[NH2+][C@@H](C)C(=O)NCCCCC[NH+]1CCCCC1 ZINC000356094111 428018486 /nfs/dbraw/zinc/01/84/86/428018486.db2.gz PRYDTXUGVWILMA-INIZCTEOSA-N 2 0 311.514 2.926 20 0 DFADRP CC(C)(C)C(=O)N1CCC([NH2+]C2CC[NH+](C3CCC3)CC2)CC1 ZINC000341479781 428081601 /nfs/dbraw/zinc/08/16/01/428081601.db2.gz FXTFLUSFDLKXTQ-UHFFFAOYSA-N 2 0 321.509 2.630 20 0 DFADRP COC(C)(C)CC[NH+]1CCC(C[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000346279708 428106334 /nfs/dbraw/zinc/10/63/34/428106334.db2.gz NJCSUVYLZAXGMY-HOTGVXAUSA-N 2 0 312.498 2.623 20 0 DFADRP CCSCCC[NH2+][C@@H]1CC[N@H+](C[C@@H]2CCCO2)C[C@@H]1C ZINC000360000371 428110864 /nfs/dbraw/zinc/11/08/64/428110864.db2.gz RRIXJRWSKWSYLH-HRCADAONSA-N 2 0 300.512 2.609 20 0 DFADRP C[NH+](C)Cc1cccc(NC(=O)[C@@H]2C[C@H]3CCCC[N@@H+]3C2)c1 ZINC000370017837 428111507 /nfs/dbraw/zinc/11/15/07/428111507.db2.gz KYNJIHCJTCYRAH-NVXWUHKLSA-N 2 0 301.434 2.561 20 0 DFADRP C[NH+]1[C@@H]2CC[C@H]1CC(NC[C@H]1CC[N@@H+](C)[C@@H]1c1ccccc1)C2 ZINC000377358321 428113726 /nfs/dbraw/zinc/11/37/26/428113726.db2.gz NCVYLYLYVCSZKI-DZJYIKFMSA-N 2 0 313.489 2.894 20 0 DFADRP C[C@@H]([NH2+]C1(CO)CCCC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000360023651 428121079 /nfs/dbraw/zinc/12/10/79/428121079.db2.gz ZKXMTUWHZDHKJS-SJLPKXTDSA-N 2 0 302.462 2.792 20 0 DFADRP C[N@@H+](CCc1ccc2c(c1)OCCO2)CC[C@@H]1CCCC[NH+]1C ZINC000360027361 428121900 /nfs/dbraw/zinc/12/19/00/428121900.db2.gz IIYPDJZUVUSOGV-KRWDZBQOSA-N 2 0 318.461 2.807 20 0 DFADRP CC(C)(O)C[N@@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000370056814 428123017 /nfs/dbraw/zinc/12/30/17/428123017.db2.gz SLUSTDWZBSKYCR-LJQANCHMSA-N 2 0 302.462 2.745 20 0 DFADRP COCCC[NH+]1CCC([NH2+]C2CCC3(CCCO3)CC2)CC1 ZINC000370061504 428123850 /nfs/dbraw/zinc/12/38/50/428123850.db2.gz GVOCWWFNLOHZTJ-UHFFFAOYSA-N 2 0 310.482 2.569 20 0 DFADRP CC[NH+](CC)C[C@H]1CCCC[C@H]1[NH2+]Cc1c[nH]c2nccnc12 ZINC000356197955 428064403 /nfs/dbraw/zinc/06/44/03/428064403.db2.gz WYTGHAIUOGGDSS-GDBMZVCRSA-N 2 0 315.465 2.900 20 0 DFADRP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1[NH2+]Cc1c[nH]c2nccnc12 ZINC000356197957 428064465 /nfs/dbraw/zinc/06/44/65/428064465.db2.gz WYTGHAIUOGGDSS-HOCLYGCPSA-N 2 0 315.465 2.900 20 0 DFADRP CCc1nc(C)cc(NCCc2nccn2Cc2ccccc2)n1 ZINC000341431983 428066715 /nfs/dbraw/zinc/06/67/15/428066715.db2.gz NUXUAOVQMRSISQ-UHFFFAOYSA-N 2 0 321.428 3.247 20 0 DFADRP COc1cc(C[N@H+](CCC[NH3+])CC2CCCC2)cc2c1OCO2 ZINC000352534074 428139806 /nfs/dbraw/zinc/13/98/06/428139806.db2.gz CUWCCKYNTPYAPE-UHFFFAOYSA-N 2 0 320.433 2.765 20 0 DFADRP [NH3+]CC[C@H]1CCCCN1Cc1cc(O)ccc1Br ZINC000352546057 428144867 /nfs/dbraw/zinc/14/48/67/428144867.db2.gz OTMIGFSBGLMQJJ-GFCCVEGCSA-N 2 0 313.239 2.858 20 0 DFADRP CSC1(C[NH+]2CCC(C[NH+]3C[C@H](C)O[C@@H](C)C3)CC2)CC1 ZINC000377540865 428152534 /nfs/dbraw/zinc/15/25/34/428152534.db2.gz KNKLTYPSVMKOMD-GJZGRUSLSA-N 2 0 312.523 2.703 20 0 DFADRP CC[N@@H+]1CC[C@H](N(C)Cc2nc3cccnc3s2)[C@H](C)C1 ZINC000341680776 428153638 /nfs/dbraw/zinc/15/36/38/428153638.db2.gz UWSDCEWKESKPTB-OCCSQVGLSA-N 2 0 304.463 2.853 20 0 DFADRP CC[N@@H+]1CC[C@H](N(C)Cc2nc3cccnc3s2)[C@@H](C)C1 ZINC000341680775 428153677 /nfs/dbraw/zinc/15/36/77/428153677.db2.gz UWSDCEWKESKPTB-JSGCOSHPSA-N 2 0 304.463 2.853 20 0 DFADRP CCC[NH+]1CCC(N(C)C(=O)c2cccc(C[NH+](C)C)c2)CC1 ZINC000360104561 428164220 /nfs/dbraw/zinc/16/42/20/428164220.db2.gz MDXQJMQTHOUQHZ-UHFFFAOYSA-N 2 0 317.477 2.695 20 0 DFADRP C[N@H+](CC[C@@H]1CCCO1)[C@H]1CCC[NH+](CC[C@@H]2CCCO2)CC1 ZINC000346424555 428166065 /nfs/dbraw/zinc/16/60/65/428166065.db2.gz CTIATEXLQDMEDU-FHWLQOOXSA-N 2 0 324.509 2.911 20 0 DFADRP COc1ccc(O)cc1[C@@H](C)NCc1ccc(-n2ccnc2)nc1 ZINC000377614628 428170310 /nfs/dbraw/zinc/17/03/10/428170310.db2.gz JHCDEKDSFGUGKJ-CYBMUJFWSA-N 2 0 324.384 2.832 20 0 DFADRP COc1ccc(C[C@H](C)[NH2+]C2CC[NH+](C(C)(C)C)CC2)cn1 ZINC000414096507 428206508 /nfs/dbraw/zinc/20/65/08/428206508.db2.gz OQSSMKRGEWCOII-AWEZNQCLSA-N 2 0 305.466 2.874 20 0 DFADRP CC[C@H]([NH2+]Cc1ccncc1OCCC[NH+](C)C)[C@@H]1C[C@H]1C ZINC000414123321 428210908 /nfs/dbraw/zinc/21/09/08/428210908.db2.gz BXJNBWHSQVEXPZ-OIISXLGYSA-N 2 0 305.466 2.936 20 0 DFADRP CC[C@H]([NH2+]CC1CC[NH+](CC(=O)NC(C)(C)C)CC1)[C@H]1C[C@@H]1C ZINC000414116176 428212496 /nfs/dbraw/zinc/21/24/96/428212496.db2.gz QHZSGTBZZZSKEV-XIRDDKMYSA-N 2 0 323.525 2.637 20 0 DFADRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H]2C[C@@H](OC(C)C)C2)[C@@H](C)C1 ZINC000414144360 428217070 /nfs/dbraw/zinc/21/70/70/428217070.db2.gz MPGJFCQUEKITHQ-FJIDUMEYSA-N 2 0 312.498 2.669 20 0 DFADRP CC1CC[NH+](CC2CC[NH+](CCO[C@@H]3CCCCO3)CC2)CC1 ZINC000370497252 428225879 /nfs/dbraw/zinc/22/58/79/428225879.db2.gz BFBPMVMIMCBMDM-LJQANCHMSA-N 2 0 324.509 2.974 20 0 DFADRP CCC[NH+](CCC)CCCC(=O)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000377810705 428232836 /nfs/dbraw/zinc/23/28/36/428232836.db2.gz DCDIORRECSMNKB-SFHVURJKSA-N 2 0 323.525 2.737 20 0 DFADRP COc1cccc2c1C[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@H]3CCC[C@H]31)C2 ZINC000414203521 428233048 /nfs/dbraw/zinc/23/30/48/428233048.db2.gz ZJTLQUYXAGUCGB-ATLSCFEFSA-N 2 0 300.446 2.625 20 0 DFADRP CC[NH+]1CCC(NC(=O)C[N@@H+]2CCCC(CC)(CC)CC2)CC1 ZINC000346485062 428191943 /nfs/dbraw/zinc/19/19/43/428191943.db2.gz KKDZGZAFOWQMPK-UHFFFAOYSA-N 2 0 323.525 2.879 20 0 DFADRP CCN(CC[NH+]1CCCCCC1)C(=O)CC[C@@H]1CCCC[N@@H+]1C ZINC000360185028 428196449 /nfs/dbraw/zinc/19/64/49/428196449.db2.gz PAQHTUMSNWBIRE-SFHVURJKSA-N 2 0 323.525 2.975 20 0 DFADRP C[C@@H]([NH2+]CCCN1CC[N@H+](C)C[C@H]1c1ccccc1)[C@H]1C[C@H]1C ZINC000414066935 428196679 /nfs/dbraw/zinc/19/66/79/428196679.db2.gz PVMAYNLZMHXKCJ-JYBIWHBTSA-N 2 0 315.505 2.999 20 0 DFADRP CCCC[NH+]1CCC([NH2+][C@@H](C)Cc2ccc(OC)nc2)CC1 ZINC000414078492 428198965 /nfs/dbraw/zinc/19/89/65/428198965.db2.gz RBDAIJNXEYKZKE-HNNXBMFYSA-N 2 0 305.466 2.875 20 0 DFADRP CC(C)n1cc(C[NH+]2CCC3(C[C@@H]3C[N@H+](C)C3CC3)CC2)nn1 ZINC000377703202 428203068 /nfs/dbraw/zinc/20/30/68/428203068.db2.gz WFMYHONRFGXGDU-OAHLLOKOSA-N 2 0 317.481 2.555 20 0 DFADRP CC[NH+]1CCN(c2ccc(C[NH2+][C@@H](C)CCC3CC3)cn2)CC1 ZINC000346522777 428204411 /nfs/dbraw/zinc/20/44/11/428204411.db2.gz DUQJZGQCIUPPJS-INIZCTEOSA-N 2 0 316.493 2.892 20 0 DFADRP CO[C@H](C[NH2+][C@@H]1CC[N@H+](C[C@H]2CCCO2)C[C@@H]1C)C(C)(C)C ZINC000370659440 428264102 /nfs/dbraw/zinc/26/41/02/428264102.db2.gz COUWAKITCQAUGU-YLFCFFPRSA-N 2 0 312.498 2.527 20 0 DFADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+][C@@H]2C[C@H]2c2ccco2)[C@@H](C)C1 ZINC000414350837 428267955 /nfs/dbraw/zinc/26/79/55/428267955.db2.gz ZNXRSWVFVDYDGO-YLFCFFPRSA-N 2 0 306.450 2.862 20 0 DFADRP C[C@@H]1C[C@@H](C[NH3+])C[N@@H+]1Cc1ccccc1OCc1ccccn1 ZINC000346677832 428268852 /nfs/dbraw/zinc/26/88/52/428268852.db2.gz LRKPLTPPZMOCMZ-CVEARBPZSA-N 2 0 311.429 2.830 20 0 DFADRP Fc1ccc(N2CC[C@H]([NH2+][C@@H]3CC[N@@H+]4CCC[C@@H]4C3)C2)cc1 ZINC000414356006 428270146 /nfs/dbraw/zinc/27/01/46/428270146.db2.gz ZOVXTDGQNKJEJJ-SOLBZPMBSA-N 2 0 303.425 2.621 20 0 DFADRP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](CCC(=O)Nc3ccc(Cl)cc3)C[C@H]21 ZINC000342097462 428298494 /nfs/dbraw/zinc/29/84/94/428298494.db2.gz HSKCDRZWHZLESL-DAXOMENPSA-N 2 0 321.852 2.728 20 0 DFADRP C[C@@H]1C[C@H](C[NH3+])C[N@@H+]1Cc1cccc(OCc2ccccn2)c1 ZINC000346693182 428277132 /nfs/dbraw/zinc/27/71/32/428277132.db2.gz LFHJBKKWOIZOLX-NVXWUHKLSA-N 2 0 311.429 2.830 20 0 DFADRP CCOc1c(OC)cc(C[N@H+](C)CC(C)(C)C[NH3+])cc1OC ZINC000346693173 428277807 /nfs/dbraw/zinc/27/78/07/428277807.db2.gz LEEXCSPVJNRKGG-UHFFFAOYSA-N 2 0 310.438 2.519 20 0 DFADRP C[C@@H]1C[C@@H](C[NH3+])C[N@@H+]1Cc1ccccc1OCC(F)(F)F ZINC000346693393 428278085 /nfs/dbraw/zinc/27/80/85/428278085.db2.gz MVLHNWMAFYZWQQ-NEPJUHHUSA-N 2 0 302.340 2.797 20 0 DFADRP CCN1C[C@H](C)[C@H]([NH2+][C@H]2C[C@H](C)N(Cc3ccccc3)C2)C1 ZINC000346699838 428280310 /nfs/dbraw/zinc/28/03/10/428280310.db2.gz DXAYTGDSYOYKCQ-PBWTXFEYSA-N 2 0 301.478 2.579 20 0 DFADRP CCN1CC[NH+](CCCC[NH2+]C[C@@H]2CC(C)=C[C@H](C)C2)CC1 ZINC000352855613 428282239 /nfs/dbraw/zinc/28/22/39/428282239.db2.gz TVYBCNJZKCPXFF-HKUYNNGSSA-N 2 0 307.526 2.986 20 0 DFADRP C[C@@H](F)CC[NH+]1CCN([C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000352882259 428293656 /nfs/dbraw/zinc/29/36/56/428293656.db2.gz GWOUHNWTVIJJIL-IEBWSBKVSA-N 2 0 319.468 2.627 20 0 DFADRP Cc1occc1C[NH2+]Cc1ccc(CN2CC[NH+](C)CC2)cc1 ZINC000414280907 428250386 /nfs/dbraw/zinc/25/03/86/428250386.db2.gz AKRKEMOVNQAOMT-UHFFFAOYSA-N 2 0 313.445 2.625 20 0 DFADRP c1ccc(C[NH+]2CC[C@]3(CC[N@@H+](C[C@H]4CCOC4)C3)C2)cc1 ZINC000352816271 428258418 /nfs/dbraw/zinc/25/84/18/428258418.db2.gz NYGJLEMBUHWGND-MOPGFXCFSA-N 2 0 300.446 2.621 20 0 DFADRP Cc1nn(-c2cccc(F)c2)cc1C[NH2+]CC1=CC[N@H+](C)CC1 ZINC000414441391 428298159 /nfs/dbraw/zinc/29/81/59/428298159.db2.gz YSVUVZFTYLVURI-UHFFFAOYSA-N 2 0 314.408 2.671 20 0 DFADRP C[C@H](O)CCC[N@@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000352813495 428260027 /nfs/dbraw/zinc/26/00/27/428260027.db2.gz BTEZGRNWRXFXSJ-PKOBYXMFSA-N 2 0 302.462 2.745 20 0 DFADRP Cc1cccc([C@H](C)[NH2+][C@H]2CCN(C3CC[NH+](C)CC3)C2)c1 ZINC000370637669 428260322 /nfs/dbraw/zinc/26/03/22/428260322.db2.gz VNYHSZXXYMEGEO-WMZOPIPTSA-N 2 0 301.478 2.814 20 0 DFADRP CC1=CCN(CC[NH2+]Cc2ccccc2-c2ccnn2C)CC1 ZINC000352912922 428308028 /nfs/dbraw/zinc/30/80/28/428308028.db2.gz GDDJSAWPPDCHRV-UHFFFAOYSA-N 2 0 310.445 2.829 20 0 DFADRP COc1cc2c(c(CN3CC[C@@H]4CC[N@H+](C)C[C@H]43)c1)O[C@@H](C)C2 ZINC000352930310 428316320 /nfs/dbraw/zinc/31/63/20/428316320.db2.gz KBRXJNCXOYXAOU-SUNYJGFJSA-N 2 0 316.445 2.545 20 0 DFADRP CSc1ccc(C[NH2+][C@@H](C)CCN2CC[NH+](C)CC2)s1 ZINC000352932285 428317564 /nfs/dbraw/zinc/31/75/64/428317564.db2.gz FUQYXKRQOORPCA-ZDUSSCGKSA-N 2 0 313.536 2.586 20 0 DFADRP C[C@@H](C(=O)N1CCC([N@@H+]2CCC[C@H]2C)CC1)[NH+]1[C@H](C)CC[C@H]1C ZINC000370909756 428319395 /nfs/dbraw/zinc/31/93/95/428319395.db2.gz VKOFDANSSPGWMW-VQHPVUNQSA-N 2 0 321.509 2.723 20 0 DFADRP C[C@@H]1[C@H](NC2CC[NH+](CCc3ccccc3)CC2)CCC[N@@H+]1C ZINC000346795740 428321266 /nfs/dbraw/zinc/32/12/66/428321266.db2.gz MSALCEPUEOZNCQ-YLJYHZDGSA-N 2 0 315.505 2.766 20 0 DFADRP CO[C@@](C)([C@@H](C)[NH2+]Cc1cn(-c2cc[nH+]cc2)nc1C)C1CC1 ZINC000414504392 428324230 /nfs/dbraw/zinc/32/42/30/428324230.db2.gz SLNJMWABFAJVRZ-KDOFPFPSSA-N 2 0 314.433 2.869 20 0 DFADRP C[C@@H](C(=O)N1CCCc2cc(C[NH3+])ccc21)[NH+]1CCCCCC1 ZINC000378188307 428329044 /nfs/dbraw/zinc/32/90/44/428329044.db2.gz RKNCUTLBGHXNRA-HNNXBMFYSA-N 2 0 315.461 2.689 20 0 DFADRP C[C@@H]1C[C@H](N(C)C[C@@H]2CCC[NH2+]C2)CC[N@@H+]1Cc1ccccc1 ZINC000346824932 428332691 /nfs/dbraw/zinc/33/26/91/428332691.db2.gz DCAYDZGUOJWYBK-MISYRCLQSA-N 2 0 315.505 2.971 20 0 DFADRP CCCc1cc(N2CC[NH+](C[C@H](C)O)CC2)c2ccccc2[nH+]1 ZINC000302371101 273623787 /nfs/dbraw/zinc/62/37/87/273623787.db2.gz FHQCWZNUFGWLOU-HNNXBMFYSA-N 2 0 313.445 2.690 20 0 DFADRP Cc1nn(C(C)(C)C)c(C)c1C[N@@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000346832605 428336753 /nfs/dbraw/zinc/33/67/53/428336753.db2.gz LPPJGWASZSFCHY-USXIJHARSA-N 2 0 304.482 2.814 20 0 DFADRP COc1ccc(C[NH2+]CC2CC[NH+](C3CC3)CC2)c(C)c1OC ZINC000342181137 428337119 /nfs/dbraw/zinc/33/71/19/428337119.db2.gz GTYZHCVLWTXGHL-UHFFFAOYSA-N 2 0 318.461 2.976 20 0 DFADRP C[C@H]([NH2+]CCc1nccn1Cc1ccccc1)[C@@H]1CCCOC1 ZINC000356858243 428339661 /nfs/dbraw/zinc/33/96/61/428339661.db2.gz XFONKUXIFSDGCL-FUHWJXTLSA-N 2 0 313.445 2.879 20 0 DFADRP Cn1cc(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)c(-c2ccccc2)n1 ZINC000346838359 428340602 /nfs/dbraw/zinc/34/06/02/428340602.db2.gz XBGVGBWUUKMSQP-CGTJXYLNSA-N 2 0 310.445 2.646 20 0 DFADRP Fc1cccc(CN(C[C@H]2CCCO2)C[C@@H]2CCC[NH2+]C2)c1 ZINC000346840503 428341813 /nfs/dbraw/zinc/34/18/13/428341813.db2.gz GDWOUMMVDCSKOJ-SJLPKXTDSA-N 2 0 306.425 2.806 20 0 DFADRP C[C@@H]1C[C@@H](CNC(=[NH2+])Nc2ccccn2)C[N@@H+]1Cc1ccccc1 ZINC000371017805 428342658 /nfs/dbraw/zinc/34/26/58/428342658.db2.gz UEZYUSHAJOLCKG-WBVHZDCISA-N 2 0 323.444 2.928 20 0 DFADRP CC(C)[NH+]1CCN([C@H]2CC[N@H+](CCCCC(F)(F)F)C2)CC1 ZINC000378243187 428345030 /nfs/dbraw/zinc/34/50/30/428345030.db2.gz GARIQZPZYKSGCS-HNNXBMFYSA-N 2 0 321.431 2.819 20 0 DFADRP Cc1ccccc1-c1nc(CN2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)no1 ZINC000342104324 428300480 /nfs/dbraw/zinc/30/04/80/428300480.db2.gz NSDQCRIUIJYNJS-CWRNSKLLSA-N 2 0 312.417 2.604 20 0 DFADRP CC[C@@H](F)CN1CCN([C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000352894797 428301741 /nfs/dbraw/zinc/30/17/41/428301741.db2.gz VOJIECSMVPXPJI-RTBURBONSA-N 2 0 319.468 2.627 20 0 DFADRP CCCOc1ccc(CN2CC[C@@H]3C[NH2+]C[C@@H]3C2)cc1OC ZINC000357104501 428389196 /nfs/dbraw/zinc/38/91/96/428389196.db2.gz LDRTYEDBKVEKHW-HZPDHXFCSA-N 2 0 304.434 2.525 20 0 DFADRP CC[N@@H+](Cc1ccc(OC)cc1OC)C[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000414735116 428391175 /nfs/dbraw/zinc/39/11/75/428391175.db2.gz BXUNOHTXSDPCSE-LSDHHAIUSA-N 2 0 306.450 2.914 20 0 DFADRP CCOC(=O)[C@@H]1C[N@H+](C[C@@H]2CC[NH2+][C@@H](C)C2)Cc2ccccc21 ZINC000414748303 428393192 /nfs/dbraw/zinc/39/31/92/428393192.db2.gz NXOHZULDJUVMNC-HDMKZQKVSA-N 2 0 316.445 2.537 20 0 DFADRP Cn1c2cc(Cl)ccc2nc1C[NH2+][C@@H]1CCCC[C@@H]1C[NH3+] ZINC000414795662 428414032 /nfs/dbraw/zinc/41/40/32/428414032.db2.gz GTZDCAHTYCTYCH-DGCLKSJQSA-N 2 0 306.841 2.834 20 0 DFADRP CC[N@H+](CC1CCN(c2ccccn2)CC1)C[C@H]1CCC[NH2+]C1 ZINC000346987352 428396530 /nfs/dbraw/zinc/39/65/30/428396530.db2.gz SJJKPNMDFUJLLR-SFHVURJKSA-N 2 0 316.493 2.620 20 0 DFADRP CCCn1nc(C)c(C[N@@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)c1C ZINC000414773294 428400014 /nfs/dbraw/zinc/40/00/14/428400014.db2.gz DJFAHNYJJAPXLZ-DLBZAZTESA-N 2 0 304.482 2.731 20 0 DFADRP Clc1ccc2ncc(C[N@@H+]3CCC[C@H]([C@@H]4CC[NH2+]C4)C3)n2c1 ZINC000414772631 428401410 /nfs/dbraw/zinc/40/14/10/428401410.db2.gz CHSQZDDZFZMYND-KGLIPLIRSA-N 2 0 318.852 2.809 20 0 DFADRP [NH3+]C[C@H]1C[N@H+](Cc2coc3ccccc23)CC12CCOCC2 ZINC000414772866 428402317 /nfs/dbraw/zinc/40/23/17/428402317.db2.gz CQZGONHLCUEEIJ-HNNXBMFYSA-N 2 0 300.402 2.620 20 0 DFADRP c1cc(-c2n[nH]cc2C[N@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)cs1 ZINC000414774166 428402391 /nfs/dbraw/zinc/40/23/91/428402391.db2.gz YIFZSVTYXGAALG-BETUJISGSA-N 2 0 302.447 2.570 20 0 DFADRP C[C@H]1CC[C@@H]1[NH2+]Cc1c(Cl)cccc1N1CC[NH+](C)CC1 ZINC000353146536 428403303 /nfs/dbraw/zinc/40/33/03/428403303.db2.gz XZFGZNDHFMDGNS-BBRMVZONSA-N 2 0 307.869 2.980 20 0 DFADRP COc1cccc(Cl)c1C[NH+]1CCC([C@@H]2OCC[C@H]2[NH3+])CC1 ZINC000414776951 428405263 /nfs/dbraw/zinc/40/52/63/428405263.db2.gz FDGHIYOFINPSOJ-WBVHZDCISA-N 2 0 324.852 2.677 20 0 DFADRP COc1ccc(C[C@@H](C)CN2CC[NH2+]C[C@@](C)(F)C2)cc1F ZINC000414780332 428405624 /nfs/dbraw/zinc/40/56/24/428405624.db2.gz SUYFDRJHVKNEIV-CXAGYDPISA-N 2 0 312.404 2.646 20 0 DFADRP COc1cc(C[N@@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)cc(OC)c1 ZINC000414781833 428406543 /nfs/dbraw/zinc/40/65/43/428406543.db2.gz NLSRLTDPZAOQRB-JKSUJKDBSA-N 2 0 304.434 2.525 20 0 DFADRP Cc1oc2ccccc2c1C[N@@H+]1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000414784287 428407131 /nfs/dbraw/zinc/40/71/31/428407131.db2.gz RCTARTWBDTXNOF-HNNXBMFYSA-N 2 0 314.429 2.929 20 0 DFADRP CCC(C)(C)[NH2+][C@H](C)C(=O)N(CC[NH+](C)C)Cc1ccccc1 ZINC000347025732 428410094 /nfs/dbraw/zinc/41/00/94/428410094.db2.gz OKQKYEMEYDYGGN-MRXNPFEDSA-N 2 0 319.493 2.744 20 0 DFADRP CCc1ccccc1NC(=O)C[C@H](C)[NH2+][C@H]1CCC[C@@H]1C[NH3+] ZINC000414794149 428412497 /nfs/dbraw/zinc/41/24/97/428412497.db2.gz FHDSCWPHMDAQMJ-LXZKKBNFSA-N 2 0 303.450 2.683 20 0 DFADRP CSc1ccc(C[N@@H+]2C[C@H](C[NH3+])C3(C2)CCOCC3)cc1 ZINC000414791842 428412774 /nfs/dbraw/zinc/41/27/74/428412774.db2.gz RLCJVAZBCPCENA-HNNXBMFYSA-N 2 0 306.475 2.596 20 0 DFADRP C[C@H]([NH2+][C@H]1CCN(C2CC[NH+](C)CC2)C1)c1ccc(Cl)nc1 ZINC000378297364 428356871 /nfs/dbraw/zinc/35/68/71/428356871.db2.gz XLVFLFALBCZTAQ-ZFWWWQNUSA-N 2 0 322.884 2.554 20 0 DFADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]CC[C@@H]2CCCCO2)[C@H](C)C1 ZINC000356920572 428361676 /nfs/dbraw/zinc/36/16/76/428361676.db2.gz QAAXERWLIZRIKI-SQNIBIBYSA-N 2 0 312.498 2.672 20 0 DFADRP CC[C@@H]1CCC[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)N3CC(=O)N(C)C)C1 ZINC000353051596 428369994 /nfs/dbraw/zinc/36/99/94/428369994.db2.gz ZIJAKRCHORWFKZ-CIQAELJKSA-N 2 0 321.509 2.628 20 0 DFADRP Cc1noc(C2CCC([NH2+]C3CC[NH+](C(C)C)CC3)CC2)n1 ZINC000360619790 428370456 /nfs/dbraw/zinc/37/04/56/428370456.db2.gz IHAXVOVONKLORT-UHFFFAOYSA-N 2 0 306.454 2.867 20 0 DFADRP CC(C)C[C@@H]([NH3+])CN1CCC[N@H+](Cc2ccc(F)cc2)CC1 ZINC000414678232 428372406 /nfs/dbraw/zinc/37/24/06/428372406.db2.gz JWMUBHLXOZLTAJ-GOSISDBHSA-N 2 0 307.457 2.707 20 0 DFADRP CC(C)[NH+](CCN(C)C(=O)[C@H](C)[NH+]1[C@H](C)CC[C@H]1C)C(C)C ZINC000357048338 428372630 /nfs/dbraw/zinc/37/26/30/428372630.db2.gz CTPYNXKVBBRWTE-ZACQAIPSSA-N 2 0 311.514 2.825 20 0 DFADRP Cc1cccc(C)c1NC(=O)C[N@@H+](C)C[C@H]1CC[NH2+][C@H](C)C1 ZINC000414680123 428373697 /nfs/dbraw/zinc/37/36/97/428373697.db2.gz SQPZRDHHCJXAAI-CVEARBPZSA-N 2 0 303.450 2.562 20 0 DFADRP CC(C)(C)[NH2+]CCN1CCN(Cc2ccc(Cl)s2)CC1 ZINC000414681436 428373766 /nfs/dbraw/zinc/37/37/66/428373766.db2.gz PFBCNTJJKRAFAI-UHFFFAOYSA-N 2 0 315.914 2.907 20 0 DFADRP Cc1cccc(C)c1NC(=O)C[N@@H+](C)C[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000414680129 428373855 /nfs/dbraw/zinc/37/38/55/428373855.db2.gz SQPZRDHHCJXAAI-JKSUJKDBSA-N 2 0 303.450 2.562 20 0 DFADRP CC(C)[NH+](CCN(C)C(=O)[C@@H]1CCC[N@@H+]1C1CCCC1)C(C)C ZINC000357050635 428374249 /nfs/dbraw/zinc/37/42/49/428374249.db2.gz BTRLNXQZIGURAF-SFHVURJKSA-N 2 0 323.525 2.971 20 0 DFADRP C[C@@H]1C[C@@H](CN2CCC[N@H+](CC3CCCCC3)CC2)CC[NH2+]1 ZINC000414688839 428374914 /nfs/dbraw/zinc/37/49/14/428374914.db2.gz JSVQAVPKJMWFHU-MJGOQNOKSA-N 2 0 307.526 2.963 20 0 DFADRP [NH3+]CC(=O)N1CCC[C@H](C[N@@H+]2CCC[C@@H]2CC2CCCCC2)C1 ZINC000414687776 428375954 /nfs/dbraw/zinc/37/59/54/428375954.db2.gz IBGRHJAZYPZDFO-QZTJIDSGSA-N 2 0 321.509 2.619 20 0 DFADRP CC[N@@H+](Cc1ccc(OC)c(OC)c1)C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000414685145 428376456 /nfs/dbraw/zinc/37/64/56/428376456.db2.gz YEFHZCFRYKHPRR-GDBMZVCRSA-N 2 0 306.450 2.914 20 0 DFADRP Cc1ccccc1NC(=O)[C@@H](C)[NH+]1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000357068988 428376770 /nfs/dbraw/zinc/37/67/70/428376770.db2.gz DWMYNKZUMHLSDB-WBVHZDCISA-N 2 0 315.461 2.644 20 0 DFADRP C[C@H]1C[C@H](C[NH+]2CCC(C(=O)c3ccccc3)CC2)CC[NH2+]1 ZINC000414683502 428377311 /nfs/dbraw/zinc/37/73/11/428377311.db2.gz TZSZDOUTXYKEQT-JKSUJKDBSA-N 2 0 300.446 2.969 20 0 DFADRP C[C@@H]1C[C@@H](C[N@H+](CCCO)Cc2cccc(Cl)c2)CC[NH2+]1 ZINC000414698367 428379738 /nfs/dbraw/zinc/37/97/38/428379738.db2.gz DCHUPUNHLANWJE-ZBFHGGJFSA-N 2 0 310.869 2.913 20 0 DFADRP CC(C)[C@H](CO)[N@@H+](Cc1ccccc1)C[C@H]1CC[NH2+][C@H](C)C1 ZINC000414704408 428381718 /nfs/dbraw/zinc/38/17/18/428381718.db2.gz NFRPODQLQQKTFQ-NEWSRXKRSA-N 2 0 304.478 2.894 20 0 DFADRP C[C@H]1C[C@@H](C[NH2+]C2(c3cccc(F)c3)CCOCC2)CC[NH2+]1 ZINC000414710686 428384317 /nfs/dbraw/zinc/38/43/17/428384317.db2.gz QGUDIDBDNOENAI-GJZGRUSLSA-N 2 0 306.425 2.809 20 0 DFADRP C[C@@H]1C[C@H](C[NH2+]C(C)(C)CN(C)Cc2ccccc2)CC[NH2+]1 ZINC000414709599 428384350 /nfs/dbraw/zinc/38/43/50/428384350.db2.gz OYJRDZPSYVJULC-SJLPKXTDSA-N 2 0 303.494 2.875 20 0 DFADRP CCc1ccc([C@@H]2CNCC[N@@H+]2C[C@@H]2CC[NH2+][C@@H](C)C2)cc1 ZINC000414728566 428387510 /nfs/dbraw/zinc/38/75/10/428387510.db2.gz CHIXDLAPSPBCRQ-WDYCEAGBSA-N 2 0 301.478 2.583 20 0 DFADRP C[NH2+]C[C@@H](C)C[NH2+]Cc1ccc(OCc2csc(C)n2)cc1 ZINC000414848548 428434168 /nfs/dbraw/zinc/43/41/68/428434168.db2.gz XDGCEQHKKNLTCU-CYBMUJFWSA-N 2 0 319.474 2.976 20 0 DFADRP C[C@@H]1C[NH2+]CC[C@H]1[NH2+]Cc1ccc(F)c(Br)c1 ZINC000414953187 428470123 /nfs/dbraw/zinc/47/01/23/428470123.db2.gz JEXBPNUVFCAHKV-NOZJJQNGSA-N 2 0 301.203 2.676 20 0 DFADRP CC(C)[N@H+]1CCc2nc(CN3CCCC[C@H]3[C@H](C)[NH3+])sc2C1 ZINC000347074702 428435087 /nfs/dbraw/zinc/43/50/87/428435087.db2.gz TVKQGJJIWKXUNI-ZFWWWQNUSA-N 2 0 322.522 2.611 20 0 DFADRP C[C@H]([NH2+]C1CCN(Cc2ccccc2)CC1)[C@H]1CCC[NH2+]C1 ZINC000414856557 428435511 /nfs/dbraw/zinc/43/55/11/428435511.db2.gz OIPOESIZPNZHGQ-WMZOPIPTSA-N 2 0 301.478 2.629 20 0 DFADRP C[C@@H]1C[NH2+]CC[C@H]1NCC(C)(C)C[N@H+](C)Cc1ccccc1 ZINC000414950724 428470146 /nfs/dbraw/zinc/47/01/46/428470146.db2.gz GJRAGSWLFOQCMY-SJLPKXTDSA-N 2 0 303.494 2.732 20 0 DFADRP COc1ccc(C[C@H](C)C[NH2+][C@@H](C)[C@@H]2CCC[NH2+]C2)cc1F ZINC000414860841 428436640 /nfs/dbraw/zinc/43/66/40/428436640.db2.gz VZSKIZJCXXDCHX-OFQRWUPVSA-N 2 0 308.441 2.991 20 0 DFADRP COCCCOc1cccc(C[N@H+](C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC000347081348 428436887 /nfs/dbraw/zinc/43/68/87/428436887.db2.gz YDJFALUMWVCSRD-JWTNVVGKSA-N 2 0 318.461 2.817 20 0 DFADRP COc1cc(C[NH2+][C@H](C)[C@H]2CCC[NH2+]C2)ccc1OC(C)C ZINC000414858691 428437065 /nfs/dbraw/zinc/43/70/65/428437065.db2.gz SIBFTEFINLZLHG-ZBFHGGJFSA-N 2 0 306.450 2.960 20 0 DFADRP Cc1ccc(NC(=O)C[C@H](C)N[C@@H]2CCC[NH2+]C2)cc1Cl ZINC000414866476 428438180 /nfs/dbraw/zinc/43/81/80/428438180.db2.gz MZGJGBMEBWRQGO-GXTWGEPZSA-N 2 0 309.841 2.707 20 0 DFADRP CC[N@@H+]1CC[C@@H](N(C)Cc2cc(-c3cccnc3)n[nH]2)[C@@H](C)C1 ZINC000372403461 428439375 /nfs/dbraw/zinc/43/93/75/428439375.db2.gz DCUSKCCOIUBAHG-KBXCAEBGSA-N 2 0 313.449 2.634 20 0 DFADRP COc1ccc([C@H]2CC[NH2+]C[C@@H]2NCc2cccs2)cc1 ZINC000414875953 428440665 /nfs/dbraw/zinc/44/06/65/428440665.db2.gz CPJHQMANGHVSFJ-SJORKVTESA-N 2 0 302.443 2.992 20 0 DFADRP c1[nH]c(-c2ccccc2)nc1CNCCC[NH2+]Cc1cccnc1 ZINC000414876316 428441026 /nfs/dbraw/zinc/44/10/26/428441026.db2.gz KOFQROZVRLQKFI-UHFFFAOYSA-N 2 0 321.428 2.741 20 0 DFADRP CC(C)C[C@H](CO)[NH2+][C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000357224954 428442404 /nfs/dbraw/zinc/44/24/04/428442404.db2.gz BZGCVAFMKFDBLW-YTQUADARSA-N 2 0 304.478 2.894 20 0 DFADRP CC[N@@H+]1CC[C@H](CN[C@H](C)[C@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC000357225747 428443304 /nfs/dbraw/zinc/44/33/04/428443304.db2.gz BLKSBECMQJIWDK-RLLQIKCJSA-N 2 0 315.505 2.828 20 0 DFADRP CS[C@H](CO)[C@H](C)[NH2+][C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000357228211 428443582 /nfs/dbraw/zinc/44/35/82/428443582.db2.gz FPRLUPWSEOYUQV-CWLKWCNXSA-N 2 0 322.518 2.599 20 0 DFADRP CCC[NH+]1CCC([NH2+]C2CC(O)(Cc3cccc(F)c3)C2)CC1 ZINC000372414564 428445884 /nfs/dbraw/zinc/44/58/84/428445884.db2.gz BWNNAMRPGKZVDO-UHFFFAOYSA-N 2 0 320.452 2.726 20 0 DFADRP CSc1cc(Br)ccc1C[NH2+][C@H](C)CC[NH3+] ZINC000414891194 428446269 /nfs/dbraw/zinc/44/62/69/428446269.db2.gz VLYZDBPCAGJXRU-SECBINFHSA-N 2 0 303.269 2.998 20 0 DFADRP C[C@@H]1C[N@H+](Cc2cccc(OCC(F)(F)F)c2)CC[C@H]1[NH3+] ZINC000347108365 428448527 /nfs/dbraw/zinc/44/85/27/428448527.db2.gz MRXPOVGVDUYDIP-BXUZGUMPSA-N 2 0 302.340 2.797 20 0 DFADRP COc1ccc(CC[C@H](C)[NH2+]C[C@@]2(C)CCC[NH2+]C2)cc1O ZINC000414899244 428449392 /nfs/dbraw/zinc/44/93/92/428449392.db2.gz CIUIDACSYLBBMW-KSSFIOAISA-N 2 0 306.450 2.701 20 0 DFADRP CCCOc1c(Cl)cc(C[NH2+]C[C@@H]2CC[NH2+]C2)cc1OC ZINC000414900146 428449746 /nfs/dbraw/zinc/44/97/46/428449746.db2.gz DHAZSUQBNVEHCO-GFCCVEGCSA-N 2 0 312.841 2.837 20 0 DFADRP C[C@@H]1C[C@@H](NCC[C@H]2CCC[NH2+]2)CC[N@@H+]1Cc1ccccc1 ZINC000414901347 428450043 /nfs/dbraw/zinc/45/00/43/428450043.db2.gz GDFARDSIEQYQPM-QRQLOZEOSA-N 2 0 301.478 2.771 20 0 DFADRP CC(C)c1ccc(NC(=O)C[C@@H](C)[NH2+]C[C@H]2CC[NH2+]C2)cc1 ZINC000414902846 428451771 /nfs/dbraw/zinc/45/17/71/428451771.db2.gz HTENBXDRVQCEDG-CABCVRRESA-N 2 0 303.450 2.726 20 0 DFADRP COc1cc(C[NH2+]C[C@]2(C)CCC[NH2+]C2)ccc1OC(F)F ZINC000414905263 428451911 /nfs/dbraw/zinc/45/19/11/428451911.db2.gz OGBRFFHFRNOZSQ-MRXNPFEDSA-N 2 0 314.376 2.776 20 0 DFADRP C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC[C@@]2(C)CCC[NH2+]C2)C1 ZINC000414902365 428452361 /nfs/dbraw/zinc/45/23/61/428452361.db2.gz HFMUECPDORAXIN-NEWSRXKRSA-N 2 0 301.478 2.801 20 0 DFADRP COCC1(C[NH2+]C[C@@H]2CC[N@H+](Cc3ccccc3)C2)CCC1 ZINC000381957855 428454240 /nfs/dbraw/zinc/45/42/40/428454240.db2.gz FYQAYDITQPYYAR-SFHVURJKSA-N 2 0 302.462 2.915 20 0 DFADRP Cc1ccc(NC(=O)C[C@H](C)N[C@H]2C[NH2+]CC[C@@H]2C)c(C)c1 ZINC000414910425 428455564 /nfs/dbraw/zinc/45/55/64/428455564.db2.gz CQHQXUMDFAPNKQ-QRTARXTBSA-N 2 0 303.450 2.608 20 0 DFADRP C[C@@H](Cc1ccc(Br)cc1F)[NH2+]C[C@@H]1CC[NH2+]C1 ZINC000414918407 428457593 /nfs/dbraw/zinc/45/75/93/428457593.db2.gz UDENQJNBCWEXBJ-WDEREUQCSA-N 2 0 315.230 2.718 20 0 DFADRP CC[NH2+][C@H](C)CNC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000414935863 428462373 /nfs/dbraw/zinc/46/23/73/428462373.db2.gz BBKPKELRMZUEJS-CQSZACIVSA-N 2 0 309.885 2.892 20 0 DFADRP Cc1ccc(Cl)cc1NC(=O)C[C@H](C)[NH2+][C@@H]1CC[NH2+]C[C@@H]1C ZINC000414945540 428464485 /nfs/dbraw/zinc/46/44/85/428464485.db2.gz RUQURMMYKLQPFK-KCQAQPDRSA-N 2 0 323.868 2.953 20 0 DFADRP Cc1ccc(Cl)cc1NC(=O)C[C@H](C)[NH2+][C@H]1CC[NH2+]C[C@H]1C ZINC000414945539 428464843 /nfs/dbraw/zinc/46/48/43/428464843.db2.gz RUQURMMYKLQPFK-IPYPFGDCSA-N 2 0 323.868 2.953 20 0 DFADRP CC[C@H](Cc1ccc(OC)c(OC)c1)[NH2+][C@@H]1CC[NH2+][C@@H](C)C1 ZINC000414947977 428466706 /nfs/dbraw/zinc/46/67/06/428466706.db2.gz LPLPTYHYFVJCCZ-NUEKZKHPSA-N 2 0 306.450 2.755 20 0 DFADRP CCOc1cc(C[NH2+][C@H]2CC[NH2+]C[C@@H]2C)ccc1OC(F)F ZINC000414950021 428468572 /nfs/dbraw/zinc/46/85/72/428468572.db2.gz FQOXYQWIUAPFFQ-AAEUAGOBSA-N 2 0 314.376 2.774 20 0 DFADRP CC[NH+](CC)CCO[C@@H]1CC[N@H+](C[C@H]2Cc3ccccc32)C1 ZINC000347034916 428415622 /nfs/dbraw/zinc/41/56/22/428415622.db2.gz PBUXQJFXISPRJW-QZTJIDSGSA-N 2 0 302.462 2.759 20 0 DFADRP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]Cc1cc(Cl)c2c(c1)OCCO2 ZINC000414804353 428416679 /nfs/dbraw/zinc/41/66/79/428416679.db2.gz OQZDHBOVQQFAIQ-GXTWGEPZSA-N 2 0 310.825 2.718 20 0 DFADRP COc1cc2c(cc1C[NH2+][C@@H]1CCCC[C@@H]1C[NH3+])O[C@@H](C)C2 ZINC000414808762 428418561 /nfs/dbraw/zinc/41/85/61/428418561.db2.gz SSTKKZCTNKBJJD-WOSRLPQWSA-N 2 0 304.434 2.626 20 0 DFADRP C[C@@H](Cc1ccc(Br)cc1F)[NH2+]CC(C)(C)[NH3+] ZINC000414811316 428419435 /nfs/dbraw/zinc/41/94/35/428419435.db2.gz ZFGSRIJFUSLHNX-VIFPVBQESA-N 2 0 303.219 2.846 20 0 DFADRP COc1ccc(CC[C@H](C)[NH2+][C@H]2CCCC[C@H]2C[NH3+])cc1O ZINC000414806438 428419929 /nfs/dbraw/zinc/41/99/29/428419929.db2.gz QHQGDRKHSCXGNS-BPUTZDHNSA-N 2 0 306.450 2.829 20 0 DFADRP C[C@@H]1C[N@H+](Cc2ccc(OCc3ccncc3)cc2)CC[C@H]1[NH3+] ZINC000347043419 428420453 /nfs/dbraw/zinc/42/04/53/428420453.db2.gz MQYJLZKLULBQGT-DNVCBOLYSA-N 2 0 311.429 2.830 20 0 DFADRP CSC1(C[NH2+]Cc2ncc(Cl)s2)CC[NH+](C)CC1 ZINC000353186469 428421919 /nfs/dbraw/zinc/42/19/19/428421919.db2.gz KIFIOWRHGZNMBE-UHFFFAOYSA-N 2 0 305.900 2.714 20 0 DFADRP CSc1cc2c(cc1C[NH2+][C@H]1CCCC[C@@H]1C[NH3+])OCCO2 ZINC000414812578 428422374 /nfs/dbraw/zinc/42/23/74/428422374.db2.gz XLWXOJRLMBZCGX-OCCSQVGLSA-N 2 0 322.474 2.787 20 0 DFADRP Clc1ccccc1C[NH+]1CCC(NC[C@H]2CCC[NH2+]2)CC1 ZINC000414821370 428424785 /nfs/dbraw/zinc/42/47/85/428424785.db2.gz CAVUKFVVLXMLOM-MRXNPFEDSA-N 2 0 307.869 2.646 20 0 DFADRP C[C@@H](CC(=O)Nc1cccc(Cl)c1)[NH2+]C[C@H]1CCC[NH2+]C1 ZINC000414826822 428425779 /nfs/dbraw/zinc/42/57/79/428425779.db2.gz JREYPKDOFAMBPT-STQMWFEESA-N 2 0 309.841 2.646 20 0 DFADRP C[N@H+](Cc1ccccc1)CC(C)(C)C[NH2+]CC[C@@H]1CC[NH2+]C1 ZINC000414835913 428427301 /nfs/dbraw/zinc/42/73/01/428427301.db2.gz SCQVGLLFDRURJU-KRWDZBQOSA-N 2 0 303.494 2.734 20 0 DFADRP C[NH2+]C[C@H](C)C[NH2+][C@@H](C)Cc1ccc(Br)cc1F ZINC000414831578 428428553 /nfs/dbraw/zinc/42/85/53/428428553.db2.gz DDYCXGOCLUWXOC-QWRGUYRKSA-N 2 0 317.246 2.964 20 0 DFADRP C[C@@H]([NH2+]CC1(CO)CCC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000372336087 428428868 /nfs/dbraw/zinc/42/88/68/428428868.db2.gz CXMNZHRPRWOKGO-SJLPKXTDSA-N 2 0 302.462 2.649 20 0 DFADRP C[C@H](CC(=O)Nc1cccc(Cl)c1)[NH2+]CC[C@@H]1CC[NH2+]C1 ZINC000414839354 428428879 /nfs/dbraw/zinc/42/88/79/428428879.db2.gz WCFMXKPLYRANOH-OLZOCXBDSA-N 2 0 309.841 2.646 20 0 DFADRP CSC1(C[NH2+]Cc2cnc3c(C)cccn23)CC[NH+](C)CC1 ZINC000353204919 428429719 /nfs/dbraw/zinc/42/97/19/428429719.db2.gz DXPOAOMUJAJLPT-UHFFFAOYSA-N 2 0 318.490 2.560 20 0 DFADRP Cc1ccc(NC(=O)C[C@@H](C)[NH2+]C[C@H]2CCC[NH2+]C2)cc1Cl ZINC000414838515 428429721 /nfs/dbraw/zinc/42/97/21/428429721.db2.gz WYVCYCTXAYOTQN-KGLIPLIRSA-N 2 0 323.868 2.955 20 0 DFADRP CCOc1c(C[NH2+]CC[C@H]2CCC[NH2+]C2)c(C)nn1CC(C)C ZINC000414853302 428433003 /nfs/dbraw/zinc/43/30/03/428433003.db2.gz RSMCVVOGFSQNLS-MRXNPFEDSA-N 2 0 322.497 2.726 20 0 DFADRP C[C@@H]([NH2+]C[C@H](O)C[NH+]1CCC(C)CC1)C1CCC(F)(F)CC1 ZINC000353315267 428479324 /nfs/dbraw/zinc/47/93/24/428479324.db2.gz PCOJXASWGSQQAW-ZBFHGGJFSA-N 2 0 318.452 2.883 20 0 DFADRP CC(C)C[C@H](C)C[C@H](C)[NH2+][C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1 ZINC000414984058 428481253 /nfs/dbraw/zinc/48/12/53/428481253.db2.gz FSASJAIVMKPOGW-BVYOLEPJSA-N 2 0 323.525 2.684 20 0 DFADRP COc1cc(C[NH2+][C@@H]2C[C@H]2C2CC[NH2+]CC2)ccc1OC(C)C ZINC000415000139 428485471 /nfs/dbraw/zinc/48/54/71/428485471.db2.gz AHJPZNGYXQDVBT-DLBZAZTESA-N 2 0 318.461 2.960 20 0 DFADRP C[N@@H+]1CCCC[C@@H]1CCC(=O)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000353431156 428530948 /nfs/dbraw/zinc/53/09/48/428530948.db2.gz LAFIGWROIASYMK-QZTJIDSGSA-N 2 0 321.509 2.728 20 0 DFADRP CC(C)N1CCc2nc(C[NH2+]C(C)(C)CCC[NH3+])sc2C1 ZINC000415011284 428487288 /nfs/dbraw/zinc/48/72/88/428487288.db2.gz HHVPOCYCIDKIJY-UHFFFAOYSA-N 2 0 310.511 2.517 20 0 DFADRP CCOc1c(OC)cc(C[NH+]2CCC(C[NH2+]C)CC2)cc1OC ZINC000347190938 428487458 /nfs/dbraw/zinc/48/74/58/428487458.db2.gz FMSXXFJKWZYRFX-UHFFFAOYSA-N 2 0 322.449 2.534 20 0 DFADRP [NH3+]C[C@H]1CC[C@H](C[NH2+]Cc2cnc3ccc(Cl)cn23)CC1 ZINC000415024572 428490061 /nfs/dbraw/zinc/49/00/61/428490061.db2.gz NPUJCTIZKGJIDC-JOCQHMNTSA-N 2 0 306.841 2.842 20 0 DFADRP COc1cc(Br)ccc1C[NH2+][C@H](C)CCC[NH3+] ZINC000415026013 428490117 /nfs/dbraw/zinc/49/01/17/428490117.db2.gz SLQIUIMWWOYYHV-SNVBAGLBSA-N 2 0 301.228 2.675 20 0 DFADRP [NH3+]C[C@H]1CC[C@H](C[NH2+]Cc2ccnn2-c2ccc(F)cc2)CC1 ZINC000415021192 428490489 /nfs/dbraw/zinc/49/04/89/428490489.db2.gz HPCBTYVKFWLLSH-SHTZXODSSA-N 2 0 316.424 2.866 20 0 DFADRP [NH3+]C[C@H]1CC[C@H]([NH2+]Cc2c[nH]nc2-c2c(F)cccc2F)C1 ZINC000415027831 428493380 /nfs/dbraw/zinc/49/33/80/428493380.db2.gz BSIHASOEQMTQPW-JQWIXIFHSA-N 2 0 306.360 2.572 20 0 DFADRP [NH3+]C[C@H]1CC[C@@H]([NH2+]Cc2c[nH]nc2-c2cccc(Cl)c2)C1 ZINC000415029116 428493612 /nfs/dbraw/zinc/49/36/12/428493612.db2.gz DHJUGOWGMLWRSU-XHDPSFHLSA-N 2 0 304.825 2.947 20 0 DFADRP [NH3+]C[C@@H]1CC[C@H]([NH2+]Cc2c[nH]nc2-c2cccc(Cl)c2)C1 ZINC000415029112 428493908 /nfs/dbraw/zinc/49/39/08/428493908.db2.gz DHJUGOWGMLWRSU-ABAIWWIYSA-N 2 0 304.825 2.947 20 0 DFADRP [NH3+]C[C@@H]1CC[C@H]([NH2+]C2CCN(CCc3ccc(F)cc3)CC2)C1 ZINC000415029550 428494116 /nfs/dbraw/zinc/49/41/16/428494116.db2.gz DUBBJKKNJRIYSS-APWZRJJASA-N 2 0 319.468 2.550 20 0 DFADRP C[N@H+](Cc1ccccc1)CC(C)(C)C[NH2+][C@H]1CC[C@H](C[NH3+])C1 ZINC000415045964 428497254 /nfs/dbraw/zinc/49/72/54/428497254.db2.gz URSOSPNTVWTUSR-ROUUACIJSA-N 3 0 303.494 2.862 20 0 DFADRP COc1cc(C[NH2+][C@@H]2CC[C@@H](C[NH3+])C2)ccc1OC(F)F ZINC000415047769 428497373 /nfs/dbraw/zinc/49/73/73/428497373.db2.gz WBQDRKYFUQHJEX-ZYHUDNBSSA-N 2 0 300.349 2.514 20 0 DFADRP CCCOc1ccc(C[NH2+]C2CCN(CCOC)CC2)c(C)c1 ZINC000353350460 428497686 /nfs/dbraw/zinc/49/76/86/428497686.db2.gz HOUFWHFTQNEXGS-UHFFFAOYSA-N 2 0 320.477 2.984 20 0 DFADRP Clc1csc(C[NH2+]C2CCC(N3CC[NH2+]CC3)CC2)c1 ZINC000415046026 428498792 /nfs/dbraw/zinc/49/87/92/428498792.db2.gz CGNLUBXKTUYSJC-UHFFFAOYSA-N 2 0 313.898 2.708 20 0 DFADRP CCOCc1cc(C[N@@H+]2C[C@@H](C)[C@](C)(C[NH3+])C2)ccc1OC ZINC000415049546 428499673 /nfs/dbraw/zinc/49/96/73/428499673.db2.gz BAMUKGABSAXFEE-RDTXWAMCSA-N 2 0 306.450 2.648 20 0 DFADRP CCc1cccc(C[N@@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@@H]32)c1 ZINC000372752708 428500281 /nfs/dbraw/zinc/50/02/81/428500281.db2.gz SRZQTUKCIZQGMV-GBESFXJTSA-N 2 0 302.462 2.933 20 0 DFADRP C[C@@H]1CN(C2CC[NH+]([C@@H]3CCCC[C@H]3C)CC2)C[C@@]1(C)C[NH3+] ZINC000415054321 428502678 /nfs/dbraw/zinc/50/26/78/428502678.db2.gz LSYFZCZBMMDCJQ-PSBWJHGTSA-N 2 0 307.526 2.946 20 0 DFADRP c1cc(C2CC2)ccc1C[NH2+]C1CCC([NH+]2CCNCC2)CC1 ZINC000415058107 428503633 /nfs/dbraw/zinc/50/36/33/428503633.db2.gz SJXLXNROGXZTPR-UHFFFAOYSA-N 2 0 313.489 2.870 20 0 DFADRP Cc1ccc(NC(=O)C[C@H](C)[NH2+]CCC[NH2+]C2CC2)c(C)c1 ZINC000415067920 428509085 /nfs/dbraw/zinc/50/90/85/428509085.db2.gz LQJZMDZWVHDAFQ-HNNXBMFYSA-N 2 0 303.450 2.752 20 0 DFADRP [NH3+]C[C@H](NC1CC[NH+](Cc2ccccc2)CC1)C1CCCC1 ZINC000415067424 428509689 /nfs/dbraw/zinc/50/96/89/428509689.db2.gz PDYNMLNTBPSFQJ-IBGZPJMESA-N 2 0 301.478 2.758 20 0 DFADRP CC[NH+](CC)C[C@@H]1CCCC[C@H]1[NH2+]CCCc1nc(C)no1 ZINC000360957745 428511460 /nfs/dbraw/zinc/51/14/60/428511460.db2.gz MOJHKUSFTMHVQF-JKSUJKDBSA-N 2 0 308.470 2.801 20 0 DFADRP C[C@H]([NH2+]C[C@@H]1CC[NH2+][C@H](C)C1)c1cccc(N2CCCC2=O)c1 ZINC000415077345 428512134 /nfs/dbraw/zinc/51/21/34/428512134.db2.gz DSSUMTYADOAFOG-OWCLPIDISA-N 2 0 315.461 2.852 20 0 DFADRP COCc1cc(C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)ccc1F ZINC000415077742 428512143 /nfs/dbraw/zinc/51/21/43/428512143.db2.gz HZOVJCSNTIILCB-CGTJXYLNSA-N 2 0 306.425 2.982 20 0 DFADRP COc1ccccc1N1CCC([NH2+]C[C@H]2CC[NH2+][C@H](C)C2)CC1 ZINC000415076530 428512195 /nfs/dbraw/zinc/51/21/95/428512195.db2.gz CTOKSSALNAGEFC-CVEARBPZSA-N 2 0 317.477 2.642 20 0 DFADRP C[C@H](C[C@@H]1CCC[NH2+]1)[NH2+]C1CCN([C@@H](C)c2ccncc2)CC1 ZINC000415079163 428512230 /nfs/dbraw/zinc/51/22/30/428512230.db2.gz HSASFWCMPXOWOD-GJYPPUQNSA-N 3 0 316.493 2.727 20 0 DFADRP C[C@H](Cc1ccc(F)c(Br)c1)[NH2+][C@@H]1CCCNC1 ZINC000415081988 428512468 /nfs/dbraw/zinc/51/24/68/428512468.db2.gz LCZOPGRBXJTYMQ-ZYHUDNBSSA-N 2 0 315.230 2.861 20 0 DFADRP c1ccc(C[NH+]2CCC(C[NH2+][C@H]3CCC[NH2+]CC3)CC2)cc1 ZINC000397635478 428512659 /nfs/dbraw/zinc/51/26/59/428512659.db2.gz PNFCKUOSYAGNNX-IBGZPJMESA-N 3 0 301.478 2.630 20 0 DFADRP C[C@H]1CC[C@@H]([NH2+]CC2(O)CC[NH+](Cc3ccccc3)CC2)C1 ZINC000397489854 428512680 /nfs/dbraw/zinc/51/26/80/428512680.db2.gz HHKCPTOOVSWZJH-FUHWJXTLSA-N 2 0 302.462 2.792 20 0 DFADRP [NH3+]CC1CCC([NH2+][C@H]2CCO[C@@H]2c2ccc(F)c(F)c2)CC1 ZINC000415082251 428512891 /nfs/dbraw/zinc/51/28/91/428512891.db2.gz CXTNMZJVLQKEQB-NDSXSNPYSA-N 2 0 310.388 2.902 20 0 DFADRP COCc1cc(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)ccc1F ZINC000415078043 428513803 /nfs/dbraw/zinc/51/38/03/428513803.db2.gz HZOVJCSNTIILCB-KBAYOESNSA-N 2 0 306.425 2.982 20 0 DFADRP Cn1cc(C[NH2+]C2CCC(C[NH+](C)C)CC2)c(C(F)F)n1 ZINC000360963950 428514422 /nfs/dbraw/zinc/51/44/22/428514422.db2.gz JJNGDEBZUROLPS-UHFFFAOYSA-N 2 0 300.397 2.568 20 0 DFADRP C[C@@H]1C[C@H]([NH2+][C@@H]2CCCC[C@H]2C[NH3+])CN1Cc1ccccc1 ZINC000398018167 428515086 /nfs/dbraw/zinc/51/50/86/428515086.db2.gz ILYVJPZVVZOJQB-XGXHKWSGSA-N 2 0 301.478 2.757 20 0 DFADRP c1cn(Cc2ccc(C[NH2+][C@@H]3CCC[C@@H]3[C@@H]3CCC[NH2+]3)cc2)cn1 ZINC000415091664 428516191 /nfs/dbraw/zinc/51/61/91/428516191.db2.gz ZOOTZJMTIIDIDC-HSALFYBXSA-N 2 0 324.472 2.942 20 0 DFADRP C[C@@H]1C[C@H](C[NH2+]Cc2cc(Cl)c3c(c2)OCCO3)CC[NH2+]1 ZINC000415089889 428516499 /nfs/dbraw/zinc/51/64/99/428516499.db2.gz YLETYNCCYBZUCJ-VXGBXAGGSA-N 2 0 310.825 2.589 20 0 DFADRP Clc1ccccc1C1(C[NH2+]CC2CC[NH2+]CC2)CCOCC1 ZINC000415086365 428516556 /nfs/dbraw/zinc/51/65/56/428516556.db2.gz ULKYOGQGCZIJAY-UHFFFAOYSA-N 2 0 322.880 2.977 20 0 DFADRP C[C@@H]1C[C@@H](C[NH2+][C@H](c2ccn(C)n2)c2ccc(F)cc2)CC[NH2+]1 ZINC000415089678 428516716 /nfs/dbraw/zinc/51/67/16/428516716.db2.gz ZGCSLAVFPIWDKO-GLJUWKHASA-N 2 0 316.424 2.626 20 0 DFADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NCCC[NH2+]C1CC1 ZINC000398063656 428517077 /nfs/dbraw/zinc/51/70/77/428517077.db2.gz XCMANEWGDKNIED-VQIMIIECSA-N 2 0 301.478 2.629 20 0 DFADRP Brc1ccc([C@H]2CCC[N@@H+]2CC2CC[NH2+]CC2)nc1 ZINC000415091146 428517067 /nfs/dbraw/zinc/51/70/67/428517067.db2.gz BTCLTFLECBJRIO-OAHLLOKOSA-N 2 0 324.266 2.981 20 0 DFADRP Cc1ccc(F)cc1C[NH+]1CCC([C@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000415100560 428517853 /nfs/dbraw/zinc/51/78/53/428517853.db2.gz APNVTUUADNJSPC-ZWKOTPCHSA-N 2 0 306.425 2.852 20 0 DFADRP Cc1ccc(F)cc1C[NH+]1CCC([C@@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000415100559 428517957 /nfs/dbraw/zinc/51/79/57/428517957.db2.gz APNVTUUADNJSPC-ROUUACIJSA-N 2 0 306.425 2.852 20 0 DFADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC[C@H]1CCCC[NH2+]1 ZINC000398038577 428518950 /nfs/dbraw/zinc/51/89/50/428518950.db2.gz QXPBLXHUBOQLRB-QRQLOZEOSA-N 2 0 301.478 2.629 20 0 DFADRP Clc1ccc(C[NH2+]C[C@@H]2CC[NH2+]C2)cc1Br ZINC000398390703 428519693 /nfs/dbraw/zinc/51/96/93/428519693.db2.gz ZEASGHPUHALXQB-SNVBAGLBSA-N 2 0 303.631 2.802 20 0 DFADRP CCOC(=O)[C@]1(C(C)C)CC[N@H+](CC[C@H]2CCCC[NH+]2C)C1 ZINC000373183215 428520422 /nfs/dbraw/zinc/52/04/22/428520422.db2.gz OUKGZSFBHZQROD-SJLPKXTDSA-N 2 0 310.482 2.772 20 0 DFADRP COc1cc(C[N@@H+]2CC[C@@H](C)[C@@H](C[NH3+])C2)ccc1OC(C)C ZINC000415102002 428520702 /nfs/dbraw/zinc/52/07/02/428520702.db2.gz CANJJVSOIXCION-ZBFHGGJFSA-N 2 0 306.450 2.899 20 0 DFADRP CC[NH+]1CCN(c2cccc(NC3CCC(C[NH3+])CC3)c2)CC1 ZINC000415104339 428520961 /nfs/dbraw/zinc/52/09/61/428520961.db2.gz KULTZRCIFQTMBQ-UHFFFAOYSA-N 2 0 316.493 2.758 20 0 DFADRP CC[NH+]1CCN(c2cccc(NC[C@H]([NH3+])CC(C)C)c2)CC1 ZINC000415107480 428521486 /nfs/dbraw/zinc/52/14/86/428521486.db2.gz OXRBYVFPMYXRHF-MRXNPFEDSA-N 2 0 304.482 2.614 20 0 DFADRP CCOCc1cc(C[N@@H+]2CC[C@H](C)[C@@H](C[NH3+])C2)ccc1OC ZINC000415103269 428522148 /nfs/dbraw/zinc/52/21/48/428522148.db2.gz CZWYXWBZWXNTJC-YOEHRIQHSA-N 2 0 306.450 2.648 20 0 DFADRP C[N@@H+]1CC[C@H]([NH2+]CCOc2ccc(F)c(F)c2)[C@H]2CCC[C@@H]21 ZINC000353409259 428523079 /nfs/dbraw/zinc/52/30/79/428523079.db2.gz WEVRBGMBFVVXJC-COXVUDFISA-N 2 0 310.388 2.806 20 0 DFADRP [NH3+][C@@H]1CCO[C@@H](C2CC[NH+](Cc3ccc(F)cc3F)CC2)C1 ZINC000415120310 428525733 /nfs/dbraw/zinc/52/57/33/428525733.db2.gz GLNIQNYZRVFRCP-NVXWUHKLSA-N 2 0 310.388 2.683 20 0 DFADRP Cc1ccc(C[NH+]2CCC([C@H]3C[C@@H]([NH3+])CCO3)CC2)cc1F ZINC000415121214 428526424 /nfs/dbraw/zinc/52/64/24/428526424.db2.gz HRUDVRZOGSVMMT-FUHWJXTLSA-N 2 0 306.425 2.852 20 0 DFADRP CC[NH+]1CCN(c2cccc(NC[C@@H]3CC[NH2+][C@H](C)C3)c2)CC1 ZINC000415116173 428526591 /nfs/dbraw/zinc/52/65/91/428526591.db2.gz ZFEWNCKDTGKJBB-IAGOWNOFSA-N 2 0 316.493 2.629 20 0 DFADRP Cc1cc(C(F)(F)F)ccc1CN1CCCO[C@H](C[NH3+])C1 ZINC000415117013 428526663 /nfs/dbraw/zinc/52/66/63/428526663.db2.gz ZAQNJIJEXDZDMX-CQSZACIVSA-N 2 0 302.340 2.563 20 0 DFADRP Cc1cc(C[NH+]2CCC([C@@H]3C[C@H]([NH3+])CCO3)CC2)ccc1F ZINC000415121224 428527176 /nfs/dbraw/zinc/52/71/76/428527176.db2.gz HSYVLDKUSOWZTE-AEFFLSMTSA-N 2 0 306.425 2.852 20 0 DFADRP C[C@@H]1CCN(Cc2cnn(-c3ccc(Cl)cc3)c2)C[C@@H]1C[NH3+] ZINC000415120884 428527263 /nfs/dbraw/zinc/52/72/63/428527263.db2.gz GMBOPBDQTVQJNV-HIFRSBDPSA-N 2 0 318.852 2.942 20 0 DFADRP [NH3+][C@H]1CCCO[C@@H]1C1CC[NH+](Cc2ccc(F)cc2F)CC1 ZINC000415129760 428532115 /nfs/dbraw/zinc/53/21/15/428532115.db2.gz PPWMTXSBAVTRQS-DLBZAZTESA-N 2 0 310.388 2.683 20 0 DFADRP C[C@H](CC1CCCCC1)C[N@@H+]1CCC[C@@H](n2cc(C[NH3+])nn2)C1 ZINC000415127439 428529001 /nfs/dbraw/zinc/52/90/01/428529001.db2.gz NBUDIAZJPDGXGF-CRAIPNDOSA-N 2 0 319.497 2.980 20 0 DFADRP CC[C@H](C[N@@H+]1CCC[C@@H](n2cc(C[NH3+])nn2)C1)c1ccccc1 ZINC000415126439 428529564 /nfs/dbraw/zinc/52/95/64/428529564.db2.gz MDKHXFYVQCZCJE-CRAIPNDOSA-N 2 0 313.449 2.568 20 0 DFADRP Cc1ccc(C[N@@H+]2CCC[C@@H](n3cc(C[NH3+])nn3)C2)cc1Cl ZINC000415125512 428529927 /nfs/dbraw/zinc/52/99/27/428529927.db2.gz LIXZLCCBQPZDKD-OAHLLOKOSA-N 2 0 319.840 2.536 20 0 DFADRP C[C@@H]1C[NH2+]CC[C@@H]1[NH2+]Cc1ccc(OCc2ccncc2)cc1 ZINC000414960440 428471252 /nfs/dbraw/zinc/47/12/52/428471252.db2.gz QSRBZYVCLWHJEX-BEFAXECRSA-N 2 0 311.429 2.748 20 0 DFADRP C[NH2+][C@@H](CC(C)(C)C)C(=O)NC[C@@H](C)[N@H+](C)Cc1ccccc1 ZINC000390749343 428474013 /nfs/dbraw/zinc/47/40/13/428474013.db2.gz RPYJJUTWKGFSOZ-WBVHZDCISA-N 2 0 319.493 2.647 20 0 DFADRP CCCOc1ccc(C[NH2+][C@H]2CC[NH2+]C[C@@H]2C)cc1OCC ZINC000414962878 428474402 /nfs/dbraw/zinc/47/44/02/428474402.db2.gz SRGZLNVOXRSEMJ-HOCLYGCPSA-N 2 0 306.450 2.962 20 0 DFADRP COCC1(C[NH2+]Cc2ccc(Cl)c(F)c2)CC[NH2+]CC1 ZINC000414966401 428474905 /nfs/dbraw/zinc/47/49/05/428474905.db2.gz BSQYMNHWJHCNFT-UHFFFAOYSA-N 2 0 300.805 2.585 20 0 DFADRP COc1ccc(C[NH2+][C@@H]2CC[NH2+]C[C@@H]2C)cc1Br ZINC000414965000 428475203 /nfs/dbraw/zinc/47/52/03/428475203.db2.gz VHRLNMIBCJLWOU-GXFFZTMASA-N 2 0 313.239 2.545 20 0 DFADRP c1cc(OC[C@@H]2CCCO2)ccc1C[NH2+]CCC[C@@H]1CCC[NH2+]1 ZINC000414966118 428475285 /nfs/dbraw/zinc/47/52/85/428475285.db2.gz GAOFCUCAKBPFSG-MJGOQNOKSA-N 2 0 318.461 2.866 20 0 DFADRP COCC1(C[NH2+]Cc2ccc3nc(C)sc3c2)CC[NH2+]CC1 ZINC000414967658 428476253 /nfs/dbraw/zinc/47/62/53/428476253.db2.gz DCUADUQFFKPMKH-UHFFFAOYSA-N 2 0 319.474 2.711 20 0 DFADRP CC[C@H](Cc1ccc(C)cc1)[NH2+]CC1(COC)CC[NH2+]CC1 ZINC000414974111 428477653 /nfs/dbraw/zinc/47/76/53/428477653.db2.gz LWEXMERSDYWIAL-GOSISDBHSA-N 2 0 304.478 2.922 20 0 DFADRP COc1ccccc1O[C@H](C)C[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@H]21 ZINC000353530477 428581997 /nfs/dbraw/zinc/58/19/97/428581997.db2.gz SRBUXTNPPDOTMP-TWMKSMIVSA-N 2 0 318.461 2.925 20 0 DFADRP C[N@@H+]1CCCC12CCN(Cc1cccc(-n3cccn3)c1)CC2 ZINC000353548695 428587087 /nfs/dbraw/zinc/58/70/87/428587087.db2.gz MZQATXACKXIVFY-UHFFFAOYSA-N 2 0 310.445 2.933 20 0 DFADRP C[C@H]1CC[C@H]([NH2+]CCCC[NH+](C)C)CN1C(=O)OC(C)(C)C ZINC000399015538 428533079 /nfs/dbraw/zinc/53/30/79/428533079.db2.gz DDQCNSWIXUDBLN-GJZGRUSLSA-N 2 0 313.486 2.706 20 0 DFADRP C[C@H]1CC[C@@H](NC2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C[NH2+]1 ZINC000399063181 428533960 /nfs/dbraw/zinc/53/39/60/428533960.db2.gz ZPIJLMAAJAMMDS-NTHMGXEOSA-N 2 0 313.489 2.912 20 0 DFADRP CC[NH+](CC)CCOc1ccccc1C[NH2+]C1CCC(O)CC1 ZINC000353441576 428535853 /nfs/dbraw/zinc/53/58/53/428535853.db2.gz OCVBHQTWBAOMLO-UHFFFAOYSA-N 2 0 320.477 2.800 20 0 DFADRP CN(Cc1ccnn1-c1ccc(F)cc1)C[C@H]1CCC[N@H+](C)C1 ZINC000353446017 428538868 /nfs/dbraw/zinc/53/88/68/428538868.db2.gz FJXSUHOCDMGAOK-HNNXBMFYSA-N 2 0 316.424 2.785 20 0 DFADRP CC[NH+](CC)Cc1ccc(CNC(=O)[C@H](C(C)C)[C@@H](C)[NH3+])cc1 ZINC000399384908 428540458 /nfs/dbraw/zinc/54/04/58/428540458.db2.gz PONKZIGCQYCYMC-CRAIPNDOSA-N 2 0 319.493 2.764 20 0 DFADRP C[C@H](N[C@H]1CC[N@H+](Cc2ccccc2)CC1(C)C)[C@H]1CC[NH2+]C1 ZINC000400331270 428542824 /nfs/dbraw/zinc/54/28/24/428542824.db2.gz DQPVUKJYFKVDCN-WDSOQIARSA-N 2 0 315.505 2.875 20 0 DFADRP CO[C@H](C[NH2+]CC1CC[NH+](Cc2ccccc2)CC1)C1CC1 ZINC000400116991 428542903 /nfs/dbraw/zinc/54/29/03/428542903.db2.gz JBPSDMVNUMCXLB-LJQANCHMSA-N 2 0 302.462 2.913 20 0 DFADRP C[NH+](C)C1CCC([NH2+]C2CCN(Cc3ccncc3)CC2)CC1 ZINC000353452574 428543707 /nfs/dbraw/zinc/54/37/07/428543707.db2.gz CDKPBIZMIXAKIH-UHFFFAOYSA-N 2 0 316.493 2.508 20 0 DFADRP C[C@@H]([NH2+]CCCC[NH+](C)C)[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000400322650 428544696 /nfs/dbraw/zinc/54/46/96/428544696.db2.gz AIEAVMKMAVJYSS-CABCVRRESA-N 2 0 313.486 2.706 20 0 DFADRP CC[N@H+](CC(=O)NC1CC[NH+](CC2CCCCC2)CC1)C1CC1 ZINC000361188276 428545840 /nfs/dbraw/zinc/54/58/40/428545840.db2.gz MRRYPEVEYPCQKM-UHFFFAOYSA-N 2 0 321.509 2.632 20 0 DFADRP C[C@H](CC[NH+](C)C)[NH2+][C@@H](C)[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000400467577 428546050 /nfs/dbraw/zinc/54/60/50/428546050.db2.gz WQBDYFZCKTZTKX-ILXRZTDVSA-N 2 0 313.486 2.704 20 0 DFADRP C[C@H](C[NH2+][C@@H](C)[C@H]1CCCN1C(=O)OC(C)(C)C)C[NH+](C)C ZINC000400449741 428546378 /nfs/dbraw/zinc/54/63/78/428546378.db2.gz QNCQAYULRLBABF-QLFBSQMISA-N 2 0 313.486 2.562 20 0 DFADRP C[C@@H](NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)[C@@H]1CC[NH2+]C1 ZINC000400478456 428547149 /nfs/dbraw/zinc/54/71/49/428547149.db2.gz VQDVMDHKUPBIGC-RNINOARNSA-N 2 0 313.489 2.770 20 0 DFADRP C[NH+](C)C1CCC([NH2+]C2CCN(Cc3ccccn3)CC2)CC1 ZINC000353463941 428547686 /nfs/dbraw/zinc/54/76/86/428547686.db2.gz OCNJFYNMDRTTPK-UHFFFAOYSA-N 2 0 316.493 2.508 20 0 DFADRP CN(C)[C@H](C[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@H]21)c1cccc(F)c1 ZINC000353460272 428549338 /nfs/dbraw/zinc/54/93/38/428549338.db2.gz KQDPKXVKBSSYCX-ZSYWTGECSA-N 2 0 319.468 2.891 20 0 DFADRP Brc1sccc1C[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000401070449 428552058 /nfs/dbraw/zinc/55/20/58/428552058.db2.gz KCEZFJAFERBHJF-MVWJERBFSA-N 2 0 315.280 2.988 20 0 DFADRP C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)[C@H](N)c2ccccc2)C1 ZINC000353475953 428555021 /nfs/dbraw/zinc/55/50/21/428555021.db2.gz YECJUSSOFNBDHU-AYOQOUSVSA-N 2 0 323.440 2.638 20 0 DFADRP CCC(C)(C)[NH2+][C@H](C)C(=O)N[C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000357718207 428558610 /nfs/dbraw/zinc/55/86/10/428558610.db2.gz WKBWTFXNBSPLNC-XHSDSOJGSA-N 2 0 323.525 2.922 20 0 DFADRP C[C@@H]([NH2+][C@@H](CO)C1CCCC1)c1cccc(OCC[NH+](C)C)c1 ZINC000353489791 428562085 /nfs/dbraw/zinc/56/20/85/428562085.db2.gz JYRZATCEKPUJGW-BEFAXECRSA-N 2 0 320.477 2.829 20 0 DFADRP CNC(=O)[C@@H]1CCC[C@@H]1[NH2+]C1CC[NH+]([C@H]2CCCC[C@@H]2C)CC1 ZINC000358266398 428594453 /nfs/dbraw/zinc/59/44/53/428594453.db2.gz MIPOBSPYOIIHKX-RANZSIQMSA-N 2 0 321.509 2.534 20 0 DFADRP C[C@H](Cc1ccccc1)C[NH+]1CCC(OCC[NH+](C)C)CC1 ZINC000347356478 428564036 /nfs/dbraw/zinc/56/40/36/428564036.db2.gz RDNUYSHLQRUVIS-QGZVFWFLSA-N 2 0 304.478 2.908 20 0 DFADRP CC(C[NH+](C(C)C)[C@H]1CCOC1)C[N@H+](C(C)C)[C@H]1CCOC1 ZINC000361409490 428564659 /nfs/dbraw/zinc/56/46/59/428564659.db2.gz WDTRFMAUCTVLCF-ROUUACIJSA-N 2 0 312.498 2.621 20 0 DFADRP C[C@@H]1[C@H](C)[N@H+](Cc2ccccc2)[C@@H](C)CN1C[C@@H]1CC[NH2+]C1 ZINC000404334422 428565561 /nfs/dbraw/zinc/56/55/61/428565561.db2.gz BNYYXCOVGQISFU-MJQMVNBJSA-N 2 0 301.478 2.579 20 0 DFADRP C[N@@H+]1CC[C@H]([NH2+]CCN2CCc3sccc3C2)[C@@H]2CCC[C@@H]21 ZINC000353501041 428566438 /nfs/dbraw/zinc/56/64/38/428566438.db2.gz HQHBDYYSQVWNPJ-ULQDDVLXSA-N 2 0 319.518 2.569 20 0 DFADRP CNC(=O)[C@@H]1CCC[C@@H]1[NH2+]C1CC[NH+]([C@H]2CCCC[C@H]2C)CC1 ZINC000358266396 428594548 /nfs/dbraw/zinc/59/45/48/428594548.db2.gz MIPOBSPYOIIHKX-BGTYHANMSA-N 2 0 321.509 2.534 20 0 DFADRP CC[N@H+](CC(=O)N[C@H](C)[C@@H](c1ccccc1C)[NH+](C)C)C1CC1 ZINC000357876098 428571087 /nfs/dbraw/zinc/57/10/87/428571087.db2.gz SKJGTSLHCIGHME-BEFAXECRSA-N 2 0 317.477 2.587 20 0 DFADRP CC[C@H]([NH2+]CCC[N@@H+]1CCC[C@@H](C(N)=O)C1)c1cccc(C)c1 ZINC000353522959 428576619 /nfs/dbraw/zinc/57/66/19/428576619.db2.gz SZAZQMUDYZOOFA-MSOLQXFVSA-N 2 0 317.477 2.623 20 0 DFADRP CC[N@@H+]1CC[C@H]([NH2+][C@@H]2CCOC3(CCSCC3)C2)[C@@H](C)C1 ZINC000358311921 428596543 /nfs/dbraw/zinc/59/65/43/428596543.db2.gz ABEVENBTTSHEOB-XHSDSOJGSA-N 2 0 312.523 2.751 20 0 DFADRP C[C@@H](CC[S@@](C)=O)[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000358407283 428598899 /nfs/dbraw/zinc/59/88/99/428598899.db2.gz TZNOBQUUQCPCCT-VBKZILBWSA-N 2 0 300.512 2.530 20 0 DFADRP Cc1ccc(NC(=O)c2ccc3c(c2)C[NH2+]C3)c(C[NH+](C)C)c1 ZINC000347533437 428599090 /nfs/dbraw/zinc/59/90/90/428599090.db2.gz WQGQZWOSASZQBI-UHFFFAOYSA-N 2 0 309.413 2.912 20 0 DFADRP CCCCN(C)C[C@@H](C)[NH2+]C1CCN(Cc2cccnc2)CC1 ZINC000353575429 428601795 /nfs/dbraw/zinc/60/17/95/428601795.db2.gz ZZLOPBFEXMXUJR-QGZVFWFLSA-N 2 0 318.509 2.756 20 0 DFADRP CC[NH+]1CCC(NC(=O)C[NH+]2CCC(C)(CC(C)C)CC2)CC1 ZINC000344000687 428604181 /nfs/dbraw/zinc/60/41/81/428604181.db2.gz XTVZGWBTRNFPCA-UHFFFAOYSA-N 2 0 323.525 2.735 20 0 DFADRP CCC[N@H+](CC)C[C@@H](C)NC(=O)Nc1ccc2c(c1)C[NH2+]CC2 ZINC000415889705 428616765 /nfs/dbraw/zinc/61/67/65/428616765.db2.gz CFEWGOYYLBDBTG-CQSZACIVSA-N 2 0 318.465 2.574 20 0 DFADRP CC[NH2+]Cc1cccc(NC(=O)N2C[C@@H](C)[N@H+](CC)C[C@@H]2C)c1 ZINC000415907680 428621323 /nfs/dbraw/zinc/62/13/23/428621323.db2.gz BTGINYVHJMPCET-CABCVRRESA-N 2 0 318.465 2.743 20 0 DFADRP CC[NH2+]Cc1cccc(NC(=O)NCC[N@H+](C)[C@@H](C)CC)c1 ZINC000415908215 428622749 /nfs/dbraw/zinc/62/27/49/428622749.db2.gz PENVUHJJBXWQBQ-AWEZNQCLSA-N 2 0 306.454 2.648 20 0 DFADRP C[NH2+]Cc1ccccc1NC(=O)NC[C@@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC000415902971 428622783 /nfs/dbraw/zinc/62/27/83/428622783.db2.gz PTTFPOLRMUWHNY-HUUCEWRRSA-N 2 0 318.465 2.648 20 0 DFADRP C[NH2+]Cc1ccccc1NC(=O)NCCC[NH2+]C1CCCCC1 ZINC000415907264 428623278 /nfs/dbraw/zinc/62/32/78/428623278.db2.gz BAITWGOAFMWMOA-UHFFFAOYSA-N 2 0 318.465 2.840 20 0 DFADRP C[N@H+](C[C@@H]1CC12CC[NH+](CCC[NH+]1CCCC1)CC2)C1CC1 ZINC000362106350 428624646 /nfs/dbraw/zinc/62/46/46/428624646.db2.gz NWZMHSRVUCLDDX-KRWDZBQOSA-N 3 0 305.510 2.669 20 0 DFADRP CC[NH2+]Cc1cccc(NC(=O)NCCC2CC[NH+](C)CC2)c1 ZINC000415909928 428625162 /nfs/dbraw/zinc/62/51/62/428625162.db2.gz UWMFFOQMRPTJJZ-UHFFFAOYSA-N 2 0 318.465 2.650 20 0 DFADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]C[C@]1(C)OCCc2sccc21 ZINC000353621583 428626001 /nfs/dbraw/zinc/62/60/01/428626001.db2.gz KOAXIXUBSJIGSY-LGWLGOQQSA-N 2 0 308.491 2.854 20 0 DFADRP CCCCn1cc(C[NH2+][C@@H]2CC[N@H+](C)[C@H]3CCC[C@H]32)c(C)n1 ZINC000353628702 428631441 /nfs/dbraw/zinc/63/14/41/428631441.db2.gz BWAZIROJPFGQDL-KSZLIROESA-N 2 0 304.482 2.954 20 0 DFADRP CC[NH2+]Cc1ccccc1NC(=O)N(C)C[C@H]1CCC[N@@H+]1CC ZINC000415941262 428633367 /nfs/dbraw/zinc/63/33/67/428633367.db2.gz FZZDKXSOIOYFMF-MRXNPFEDSA-N 2 0 318.465 2.744 20 0 DFADRP C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)C[C@H]2CCC[NH2+]CC2)C1 ZINC000373517282 428596069 /nfs/dbraw/zinc/59/60/69/428596069.db2.gz SVXSWBVGOSUBDV-KURKYZTESA-N 2 0 323.525 2.641 20 0 DFADRP C[C@@H]1CCC[C@@H]([NH+]2CCC([NH2+][C@H]3CCc4nc[nH]c4C3)CC2)C1 ZINC000353642001 428636652 /nfs/dbraw/zinc/63/66/52/428636652.db2.gz KINVGCNJVKQCJI-HYVNUMGLSA-N 2 0 316.493 2.900 20 0 DFADRP C[C@@H]1CCC[N@H+](CCCCNC(=O)Nc2ccc(C[NH3+])cc2)C1 ZINC000415981904 428639956 /nfs/dbraw/zinc/63/99/56/428639956.db2.gz WTOVCBWMMSWMAB-OAHLLOKOSA-N 2 0 318.465 2.779 20 0 DFADRP CC[N@@H+]1CC[C@@H](N(C)C(=O)Nc2ccc(C[NH2+]C)cc2)[C@H](C)C1 ZINC000415980129 428640460 /nfs/dbraw/zinc/64/04/60/428640460.db2.gz FWJJWEQBCMMOAS-RHSMWYFYSA-N 2 0 318.465 2.600 20 0 DFADRP C[NH2+]Cc1ccc(NC(=O)NC(C)(C)CCC[NH+](C)C)cc1 ZINC000415987118 428641988 /nfs/dbraw/zinc/64/19/88/428641988.db2.gz WSPUDDBZAZBDNN-UHFFFAOYSA-N 2 0 306.454 2.648 20 0 DFADRP C[NH2+]Cc1cccc(NC(=O)NCC(C)(C)C[NH+]2CCCC2)c1 ZINC000415958355 428635840 /nfs/dbraw/zinc/63/58/40/428635840.db2.gz LEUQVHNHCZTMCM-UHFFFAOYSA-N 2 0 318.465 2.650 20 0 DFADRP COc1ccc2[nH]c3c(c2c1)C[C@@H]([NH2+]CCCC[NH+](C)C)CC3 ZINC000273082701 274119081 /nfs/dbraw/zinc/11/90/81/274119081.db2.gz PRNAVILHOQFKJI-AWEZNQCLSA-N 2 0 315.461 2.965 20 0 DFADRP C[C@@H](C[NH2+][C@H]1CC(C)(C)c2ccccc21)CN1CC[NH+](C)CC1 ZINC000178691249 274225757 /nfs/dbraw/zinc/22/57/57/274225757.db2.gz FYVROCAAIODWNP-LPHOPBHVSA-N 2 0 315.505 2.882 20 0 DFADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+][C@@H]1CCN(c2ccccc2F)C1 ZINC000293749554 274340540 /nfs/dbraw/zinc/34/05/40/274340540.db2.gz RFHKISSROWKPMY-KCYZZUKISA-N 2 0 305.441 2.723 20 0 DFADRP C[NH+](C)[C@H](CC(=O)NC(C)(C)C[NH+]1CCCC1)c1ccccc1 ZINC000416248694 428699297 /nfs/dbraw/zinc/69/92/97/428699297.db2.gz TVULYHNWWLNKIV-QGZVFWFLSA-N 2 0 317.477 2.670 20 0 DFADRP C[N@@H+]1CCC[C@@H]1CCN1C[C@@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000348305997 428699769 /nfs/dbraw/zinc/69/97/69/428699769.db2.gz LLCFWVXAOKAFPH-HSALFYBXSA-N 3 0 313.489 2.535 20 0 DFADRP CC[C@@H](C)[NH+]1CCN(C(=O)C[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC000416249164 428700317 /nfs/dbraw/zinc/70/03/17/428700317.db2.gz WGOHIWCHILVVIV-SJLPKXTDSA-N 2 0 317.477 2.622 20 0 DFADRP CCc1cccc(Cl)c1C[NH2+][C@H](C)CN1CC[NH+](C)CC1 ZINC000353768215 428704757 /nfs/dbraw/zinc/70/47/57/428704757.db2.gz NNMDKAVWBPOAHE-CQSZACIVSA-N 2 0 309.885 2.628 20 0 DFADRP Cc1cc(F)ccc1C[N@@H+]1CCN(C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000374597120 428707133 /nfs/dbraw/zinc/70/71/33/428707133.db2.gz RUKSAZAMPDYYFK-MRXNPFEDSA-N 2 0 319.468 2.734 20 0 DFADRP C[C@H](C[N@@H+]1CCN(C2CC[NH+](C)CC2)[C@H](C)C1)c1ccccc1 ZINC000374610764 428712599 /nfs/dbraw/zinc/71/25/99/428712599.db2.gz HTGLDMLYQFARPW-QZTJIDSGSA-N 2 0 315.505 2.890 20 0 DFADRP C[NH+](C)CC1(C[NH2+][C@@H]2CCO[C@H](C(F)(F)F)C2)CCCC1 ZINC000348383067 428726658 /nfs/dbraw/zinc/72/66/58/428726658.db2.gz INTJNBVTKLGXEX-OLZOCXBDSA-N 2 0 308.388 2.808 20 0 DFADRP CC(C)[C@H](c1nc(-c2ccc(C[NH+](C)C)cc2)no1)[C@@H](C)[NH3+] ZINC000416398791 428731400 /nfs/dbraw/zinc/73/14/00/428731400.db2.gz FUFDNJGIUUDZQI-DOMZBBRYSA-N 2 0 302.422 2.885 20 0 DFADRP CC[NH+](CC)[C@@H](C(=O)NCCCC[NH+](C)C)c1ccccc1 ZINC000344597405 428678319 /nfs/dbraw/zinc/67/83/19/428678319.db2.gz BGOZZNRGCYESQA-QGZVFWFLSA-N 2 0 305.466 2.528 20 0 DFADRP CCN1C[C@@H](C)[C@H]([NH2+]CCC2CCN(CC(F)(F)F)CC2)C1 ZINC000344599392 428681017 /nfs/dbraw/zinc/68/10/17/428681017.db2.gz FJUNMOGRDTWWHH-UKRRQHHQSA-N 2 0 321.431 2.581 20 0 DFADRP Clc1ccc(CC[NH2+]C2CC[NH+](C[C@H]3CCOC3)CC2)cc1 ZINC000362297725 428693841 /nfs/dbraw/zinc/69/38/41/428693841.db2.gz DDEJBWBUJDYWSA-MRXNPFEDSA-N 2 0 322.880 2.973 20 0 DFADRP C[C@H]1CCC[C@H]([NH+]2CCC([NH2+]CCC3(O)CCOCC3)CC2)C1 ZINC000353866537 428753706 /nfs/dbraw/zinc/75/37/06/428753706.db2.gz MWCZHRARMQOSHP-WMZOPIPTSA-N 2 0 324.509 2.551 20 0 DFADRP CC(CC[NH+]1CCCO[C@H](C)C1)CC[N@@H+]1CCCO[C@H](C)C1 ZINC000411219672 428762420 /nfs/dbraw/zinc/76/24/20/428762420.db2.gz QPGHWHWRLGWVSA-QZTJIDSGSA-N 2 0 312.498 2.624 20 0 DFADRP CC(C)[C@H]([NH2+]CCOCC[NH+](C)C)c1cc(F)ccc1F ZINC000358993343 428764216 /nfs/dbraw/zinc/76/42/16/428764216.db2.gz BBLAZUCFLDEIGH-INIZCTEOSA-N 2 0 300.393 2.830 20 0 DFADRP C[N@H+]1CC=C(C[NH2+]Cc2cnc(-c3ccncc3)s2)CC1 ZINC000345136319 428768735 /nfs/dbraw/zinc/76/87/35/428768735.db2.gz DXPYGRYECQTQEH-UHFFFAOYSA-N 2 0 300.431 2.557 20 0 DFADRP C[C@H]1C[N@H+](C)CC[C@@H]1[NH2+]CC1CCN(c2ccccc2)CC1 ZINC000359019183 428774437 /nfs/dbraw/zinc/77/44/37/428774437.db2.gz ZTNSHHOXXSKCKH-LPHOPBHVSA-N 2 0 301.478 2.833 20 0 DFADRP C[C@H]1C[N@H+](C)CC[C@H]1[NH2+]CC1CCN(c2ccccc2)CC1 ZINC000359019184 428774829 /nfs/dbraw/zinc/77/48/29/428774829.db2.gz ZTNSHHOXXSKCKH-QFBILLFUSA-N 2 0 301.478 2.833 20 0 DFADRP CCc1cccc(F)c1C[NH2+]CCCC[NH+]1CCN(CC)CC1 ZINC000353918858 428777383 /nfs/dbraw/zinc/77/73/83/428777383.db2.gz UPOXFTDKBXSTTL-UHFFFAOYSA-N 2 0 321.484 2.895 20 0 DFADRP C[C@@H]1C[C@@H]1C[NH+]1CCN([C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000348561781 428787897 /nfs/dbraw/zinc/78/78/97/428787897.db2.gz YAOQXGCLVUDRDA-MISYRCLQSA-N 2 0 313.489 2.535 20 0 DFADRP C[C@H](CC[NH+]1C[C@H](C)OC[C@H]1C)CC[N@@H+]1C[C@H](C)OC[C@@H]1C ZINC000411145822 428746121 /nfs/dbraw/zinc/74/61/21/428746121.db2.gz MGWQDQBCPPKQLN-JCECYMMASA-N 2 0 312.498 2.621 20 0 DFADRP C[C@@H]1CCCC[C@@H]1C[N@@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000374966711 428795326 /nfs/dbraw/zinc/79/53/26/428795326.db2.gz XLGXKYGJXFGLFU-HCXYKTFWSA-N 2 0 307.526 2.771 20 0 DFADRP Cc1ccccc1[C@@H](C)[NH2+]CC(=O)NC1CC[NH+](C(C)C)CC1 ZINC000411438106 428798331 /nfs/dbraw/zinc/79/83/31/428798331.db2.gz MIZDWUAGLCOYPD-MRXNPFEDSA-N 2 0 317.477 2.635 20 0 DFADRP C[C@H]1CC[N@H+](Cc2ccc(C[NH+]3CCCCC3)cc2)C[C@H]1O ZINC000411456181 428798975 /nfs/dbraw/zinc/79/89/75/428798975.db2.gz YWZMTACGGRYDPS-QFBILLFUSA-N 2 0 302.462 2.875 20 0 DFADRP CC(C)[C@@H](C(=O)N[C@H]1CC[N@@H+](C2CCCC2)C1)[NH+]1CCCCC1 ZINC000359067290 428802341 /nfs/dbraw/zinc/80/23/41/428802341.db2.gz VWXKEDKWJWRWRT-WMZOPIPTSA-N 2 0 321.509 2.630 20 0 DFADRP C[C@H](O)[C@@H]1CC[N@H+](Cc2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC000411497272 428806550 /nfs/dbraw/zinc/80/65/50/428806550.db2.gz ODPJGJXEOHEJJH-QFBILLFUSA-N 2 0 302.462 2.875 20 0 DFADRP CCCC[C@@H]([NH2+]CC(=O)NC1CC[NH+](C(C)C)CC1)C1CCC1 ZINC000411516294 428811283 /nfs/dbraw/zinc/81/12/83/428811283.db2.gz JNFNSGCFAIAODH-GOSISDBHSA-N 2 0 323.525 2.924 20 0 DFADRP CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)C[NH+]1[C@H](C)CC[C@H]1C ZINC000345251382 428815866 /nfs/dbraw/zinc/81/58/66/428815866.db2.gz QCGMRXPXLHLTJQ-BRWVUGGUSA-N 2 0 309.498 2.630 20 0 DFADRP Cc1nnc([C@H](C)N[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)[nH]1 ZINC000411554718 428817878 /nfs/dbraw/zinc/81/78/78/428817878.db2.gz UKHZEEGTHRBDEO-JKIFEVAISA-N 2 0 313.449 2.674 20 0 DFADRP CC[NH+](CCC(C)CC[N@@H+](CC)[C@H]1CCOC1)[C@H]1CCOC1 ZINC000411750817 428852867 /nfs/dbraw/zinc/85/28/67/428852867.db2.gz ZTSXTMYLMLGWOB-ROUUACIJSA-N 2 0 312.498 2.624 20 0 DFADRP c1ncc(CC[N@@H+]2CC[C@@H](n3cnc4c3CCCC4)C2)s1 ZINC000411578514 428820695 /nfs/dbraw/zinc/82/06/95/428820695.db2.gz SHAOKQCSEPVWSQ-CYBMUJFWSA-N 2 0 302.447 2.708 20 0 DFADRP Cc1csc(N2CCC([NH2+][C@H]3CC[N@@H+]4CCC[C@@H]4C3)CC2)n1 ZINC000359116747 428824910 /nfs/dbraw/zinc/82/49/10/428824910.db2.gz QUWUUNZJOWZZEN-JKSUJKDBSA-N 2 0 320.506 2.637 20 0 DFADRP COc1ccc(Cl)c(C[NH+]2CCC(OCCC[NH3+])CC2)c1 ZINC000348744738 428824974 /nfs/dbraw/zinc/82/49/74/428824974.db2.gz BXFFZFOKPKGRJO-UHFFFAOYSA-N 2 0 312.841 2.678 20 0 DFADRP C[C@@H]1CC[N@H+](Cc2cccc(C[NH+]3CCCCC3)c2)[C@@H]1CO ZINC000411620006 428826161 /nfs/dbraw/zinc/82/61/61/428826161.db2.gz PJIDKLZSVOEUPN-VQIMIIECSA-N 2 0 302.462 2.875 20 0 DFADRP FC(F)(F)CCN1CCC([NH2+]CCC[NH+]2CCCCC2)CC1 ZINC000359120673 428827182 /nfs/dbraw/zinc/82/71/82/428827182.db2.gz ZGLXRJYJVZMPCM-UHFFFAOYSA-N 2 0 321.431 2.869 20 0 DFADRP Cc1cc(-n2ccnc2)ccc1C[N@H+]1CC[C@H]2CCN(C)C[C@H]21 ZINC000375229834 428827394 /nfs/dbraw/zinc/82/73/94/428827394.db2.gz POYJSAVQOQAWHL-VQIMIIECSA-N 2 0 310.445 2.707 20 0 DFADRP CC1(C)C[N@H+](Cc2cccc(C[NH+]3CCCCC3)c2)C[C@@H]1O ZINC000411660872 428836670 /nfs/dbraw/zinc/83/66/70/428836670.db2.gz BANMIQZYHNOZER-SFHVURJKSA-N 2 0 302.462 2.875 20 0 DFADRP C[C@@H]1CC[C@H](CC(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)C1 ZINC000345300501 428837141 /nfs/dbraw/zinc/83/71/41/428837141.db2.gz XKTGGCMXPXIOSR-SJORKVTESA-N 2 0 311.514 2.545 20 0 DFADRP CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@H](c1cccc(Cl)c1)N(C)C ZINC000348799414 428843195 /nfs/dbraw/zinc/84/31/95/428843195.db2.gz JZGZHXIONJFISW-CVEARBPZSA-N 2 0 323.868 2.543 20 0 DFADRP CC(C)[C@H]([NH2+]C1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)c1cccnc1 ZINC000359296137 428906503 /nfs/dbraw/zinc/90/65/03/428906503.db2.gz AVRRKESALADRJN-QYZOEREBSA-N 2 0 317.477 2.746 20 0 DFADRP C[C@@H](CC[NH2+][C@@H]1CCOC1(C)C)CC[NH2+][C@H]1CCOC1(C)C ZINC000411775202 428854467 /nfs/dbraw/zinc/85/44/67/428854467.db2.gz RCRCLODQAFQAGM-MUJYYYPQSA-N 2 0 312.498 2.717 20 0 DFADRP O=C(Nc1ccccc1)C1CC[NH+](CCC2CC[NH2+]CC2)CC1 ZINC000359197691 428863307 /nfs/dbraw/zinc/86/33/07/428863307.db2.gz BCEVXRISNXZOSK-UHFFFAOYSA-N 2 0 315.461 2.727 20 0 DFADRP CC[NH+](CC)CCO[C@@H]1CC[N@H+](Cc2ccccc2OC)C1 ZINC000354106963 428865800 /nfs/dbraw/zinc/86/58/00/428865800.db2.gz NCHJQGOXDKWRRN-QGZVFWFLSA-N 2 0 306.450 2.628 20 0 DFADRP C[C@@H]1C[C@H](O)C[N@H+](Cc2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC000411877932 428874404 /nfs/dbraw/zinc/87/44/04/428874404.db2.gz QXEUBRNLTQXFCW-APWZRJJASA-N 2 0 302.462 2.875 20 0 DFADRP Cc1cc(C[NH2+][C@H]2c3ccccc3CC[C@@H]2n2ccnc2)n(C)n1 ZINC000418064394 428876817 /nfs/dbraw/zinc/87/68/17/428876817.db2.gz IEHWYHBCWQBRAD-OALUTQOASA-N 2 0 321.428 2.943 20 0 DFADRP CCOC[C@@H]1CCC[C@H]1[NH2+]Cc1ccccc1OCC[NH+](C)C ZINC000354133337 428878985 /nfs/dbraw/zinc/87/89/85/428878985.db2.gz DBYQGYXNBDJKCK-ZWKOTPCHSA-N 2 0 320.477 2.922 20 0 DFADRP CCOC[C@@H]1CCC[C@@H]1[NH2+]CCCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000354135686 428879891 /nfs/dbraw/zinc/87/98/91/428879891.db2.gz ZNOKUIIFDQLUJC-BDXSIMOUSA-N 2 0 312.498 2.671 20 0 DFADRP COC(=O)C[C@@H]1CC[C@H]([NH2+]C2CC[NH+](C3CCC3)CC2)[C@@H]1C ZINC000354146606 428884800 /nfs/dbraw/zinc/88/48/00/428884800.db2.gz OUFVYLWCQGHZQZ-KEYYUXOJSA-N 2 0 308.466 2.571 20 0 DFADRP CCOC(=O)c1ccc(CN2CCCC23CC[NH+](C)CC3)o1 ZINC000375476087 428894883 /nfs/dbraw/zinc/89/48/83/428894883.db2.gz ZJSDPULDQNBWIA-UHFFFAOYSA-N 2 0 306.406 2.517 20 0 DFADRP Cc1cccc([C@@H](C)[NH+]2CCN([C@@H]3CCC[N@H+](C)C3)CC2)c1 ZINC000363287518 428899995 /nfs/dbraw/zinc/89/99/95/428899995.db2.gz FUKWLLBUDMHRPN-IEBWSBKVSA-N 2 0 301.478 2.768 20 0 DFADRP C[N@H+](CCN1CCC[C@@H]([NH+]2CCCC2)C1)Cc1ccc(F)cc1 ZINC000363299811 428901230 /nfs/dbraw/zinc/90/12/30/428901230.db2.gz UCZUJVNCAKWHII-LJQANCHMSA-N 2 0 319.468 2.818 20 0 DFADRP C[C@@H](C(=O)N1CCC[C@@H]1C[NH+]1CCCCC1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000411991917 428903694 /nfs/dbraw/zinc/90/36/94/428903694.db2.gz ZELWTJGOGFMVTF-XWTMOSNGSA-N 2 0 321.509 2.725 20 0 DFADRP CN(CC[N@H+](C)C[C@@H]1C[C@@H]1c1ccccc1)C1CC[NH+](C)CC1 ZINC000349034676 428905723 /nfs/dbraw/zinc/90/57/23/428905723.db2.gz FCOHKGKIJWVMFQ-AZUAARDMSA-N 2 0 315.505 2.748 20 0 DFADRP CC1CCC(C[NH+]2CCC(C[NH+]3CCN(C)CC3)CC2)CC1 ZINC000349071801 428914402 /nfs/dbraw/zinc/91/44/02/428914402.db2.gz HWMAJZKPOFAXPO-UHFFFAOYSA-N 2 0 307.526 2.772 20 0 DFADRP CC(C)C[C@@H](C[NH2+]C[C@H](O)C[NH+]1CCCC1)c1ccccc1 ZINC000354211698 428917277 /nfs/dbraw/zinc/91/72/77/428917277.db2.gz NMXCFJWKIRCLCR-OALUTQOASA-N 2 0 304.478 2.863 20 0 DFADRP CC[N@@H+]1CC[C@@H]([NH+](C)CCOCCOc2ccccc2)C[C@H]1C ZINC000354211379 428918368 /nfs/dbraw/zinc/91/83/68/428918368.db2.gz WTSORJSWTDSNFW-QZTJIDSGSA-N 2 0 320.477 2.887 20 0 DFADRP COc1ccc([C@@H](O)[C@H]2CCC[N@@H+]2CCC[NH+]2CCCC2)cc1 ZINC000363458700 428918690 /nfs/dbraw/zinc/91/86/90/428918690.db2.gz ACZWXJRZPHURQK-RTBURBONSA-N 2 0 318.461 2.679 20 0 DFADRP COc1ccc([C@H](O)[C@@H]2CCC[N@@H+]2CC[C@H]2CCC[NH+]2C)cc1 ZINC000363460016 428919237 /nfs/dbraw/zinc/91/92/37/428919237.db2.gz VQJVBYHHHSGEKF-NEWSRXKRSA-N 2 0 318.461 2.677 20 0 DFADRP CC[C@H](O)C[NH+]1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000375608180 428921822 /nfs/dbraw/zinc/92/18/22/428921822.db2.gz QIEUVCSAQAGUEP-SFHVURJKSA-N 2 0 302.462 2.745 20 0 DFADRP C[C@@H]1CC(C)(C)C[N@@H+]1CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000412048090 428924335 /nfs/dbraw/zinc/92/43/35/428924335.db2.gz UAIFTYSJBVNAET-WBVHZDCISA-N 2 0 317.477 2.526 20 0 DFADRP CC(C)c1nccn1C[C@@H]1CCC[N@@H+]1CC[C@H]1CCC[NH+]1C ZINC000363480356 428925808 /nfs/dbraw/zinc/92/58/08/428925808.db2.gz XIZSPMWSTLYNSC-SJORKVTESA-N 2 0 304.482 2.955 20 0 DFADRP Cc1ccnc(NC[C@H]2CC[N@@H+](C[C@@H](O)CCC(C)C)C2)c1 ZINC000375638899 428929620 /nfs/dbraw/zinc/92/96/20/428929620.db2.gz KRDJBNVJPOGOHG-SJORKVTESA-N 2 0 305.466 2.921 20 0 DFADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)CC1=CCCCC1 ZINC000359340981 428930120 /nfs/dbraw/zinc/93/01/20/428930120.db2.gz DSXXVBPCTPQSTB-UHFFFAOYSA-N 2 0 309.498 2.609 20 0 DFADRP Cn1ccnc1[C@H]1CCN(Cc2ccc(Br)cn2)C1 ZINC000349144693 428930521 /nfs/dbraw/zinc/93/05/21/428930521.db2.gz CUOTYDPMCVFALM-NSHDSACASA-N 2 0 321.222 2.567 20 0 DFADRP C[NH+]1CCC([C@@H]2CCN(Cc3cc(C(F)(F)F)n[nH]3)C2)CC1 ZINC000349157588 428931800 /nfs/dbraw/zinc/93/18/00/428931800.db2.gz ZATMBSCTADGVQE-GFCCVEGCSA-N 2 0 316.371 2.592 20 0 DFADRP COC(=O)C[C@@H]1CC[C@H]([NH2+][C@H]2CCN(C3CCCC3)C2)[C@@H]1C ZINC000354331122 428971538 /nfs/dbraw/zinc/97/15/38/428971538.db2.gz PVIXARIQTKXWJY-AESZEHBQSA-N 2 0 308.466 2.571 20 0 DFADRP C[NH+]1CCC([C@@H]2CC[N@H+](Cc3ccc([S@](C)=O)cc3)C2)CC1 ZINC000349178792 428934294 /nfs/dbraw/zinc/93/42/94/428934294.db2.gz BNWPZPDBLMWPMI-VGSWGCGISA-N 2 0 320.502 2.588 20 0 DFADRP CC1(C)[C@H]([NH2+]C[C@H]2CC[N@H+](Cc3ccccc3)C2)[C@@H]2CCO[C@@H]21 ZINC000375661058 428934666 /nfs/dbraw/zinc/93/46/66/428934666.db2.gz BBKUNBMCHOLJCA-HCXYKTFWSA-N 2 0 314.473 2.912 20 0 DFADRP COc1ccc(CC[C@H](C)[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000423555016 428971657 /nfs/dbraw/zinc/97/16/57/428971657.db2.gz XQWVTJYIADGXPG-DZJNRPSUSA-N 2 0 302.462 2.994 20 0 DFADRP COCCc1nc(C)c([C@H](C)[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)s1 ZINC000423551208 428971858 /nfs/dbraw/zinc/97/18/58/428971858.db2.gz UEKHRHPJWXRIAA-PMOUVXMZSA-N 2 0 323.506 2.679 20 0 DFADRP CCn1cc(CCN2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)cn1 ZINC000375698766 428945911 /nfs/dbraw/zinc/94/59/11/428945911.db2.gz SQLAJAZYOJRIMW-LJQANCHMSA-N 2 0 318.509 2.889 20 0 DFADRP C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)[C@H]1C[C@H]2CCCC[NH+]2C1 ZINC000363585680 428948167 /nfs/dbraw/zinc/94/81/67/428948167.db2.gz CQMXIHWODMWKFM-FGTMMUONSA-N 2 0 321.509 2.632 20 0 DFADRP C[C@H](F)CC[N@H+](C)CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000375714598 428950664 /nfs/dbraw/zinc/95/06/64/428950664.db2.gz PDSJJEPWDCPDTH-INIZCTEOSA-N 2 0 313.505 2.863 20 0 DFADRP C[C@@H]1C[C@H]([NH2+]Cc2cn(C)nc2-c2cccs2)CC[N@@H+]1C ZINC000354284153 428955387 /nfs/dbraw/zinc/95/53/87/428955387.db2.gz WEYMZUTYYSASNH-TZMCWYRMSA-N 2 0 304.463 2.721 20 0 DFADRP CC[C@@H]([NH2+][C@H](C)CCN1CC[NH+](C)CC1)c1cccc(OC)c1 ZINC000349344733 428965987 /nfs/dbraw/zinc/96/59/87/428965987.db2.gz UHUFDBVHOZEVKC-VQIMIIECSA-N 2 0 319.493 2.762 20 0 DFADRP COc1cccc(C[C@H]([NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)C2CC2)c1 ZINC000423556303 428972436 /nfs/dbraw/zinc/97/24/36/428972436.db2.gz YXCFCKLTKZHLKD-MLYOOKFZSA-N 2 0 314.473 2.994 20 0 DFADRP COc1cc(F)c([C@@H](C)[NH2+]CCC2=CC[NH2+]CC2)cc1OC ZINC000423538621 428969106 /nfs/dbraw/zinc/96/91/06/428969106.db2.gz NPDGRVCOSZATPW-GFCCVEGCSA-N 2 0 308.397 2.803 20 0 DFADRP COCC[C@@H](Cc1cccc(F)c1)[NH2+]CCC1=CC[NH2+]CC1 ZINC000423546669 428969151 /nfs/dbraw/zinc/96/91/51/428969151.db2.gz ZFMPBUIBOSTUJV-SFHVURJKSA-N 2 0 306.425 2.673 20 0 DFADRP C[C@@H]1COCC[C@H]1[NH2+]Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000354328580 428969605 /nfs/dbraw/zinc/96/96/05/428969605.db2.gz JGXLJFVNYZVTKO-VQIMIIECSA-N 2 0 318.461 2.676 20 0 DFADRP COc1cc(F)c([C@H](C)[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)cc1OC ZINC000423536970 428969888 /nfs/dbraw/zinc/96/98/88/428969888.db2.gz BJZOSTTUSRZJMV-REWJHTLYSA-N 2 0 322.424 2.882 20 0 DFADRP CC1(C)CC([NH2+]Cc2ccccc2C[N@@H+]2CCC[C@H]2CO)C1 ZINC000433244383 429016873 /nfs/dbraw/zinc/01/68/73/429016873.db2.gz XRVLMUXXLGYEET-SFHVURJKSA-N 2 0 302.462 2.922 20 0 DFADRP CC1(C)CC([NH2+]Cc2ccccc2C[NH+]2CCC(O)CC2)C1 ZINC000433280479 429018242 /nfs/dbraw/zinc/01/82/42/429018242.db2.gz CFJUOERXACAUFF-UHFFFAOYSA-N 2 0 302.462 2.922 20 0 DFADRP C[NH+](C)C[C@H](NC(=O)[C@H]1CCC[C@H]([NH3+])C1)c1ccc(Cl)cc1 ZINC000423783071 429018442 /nfs/dbraw/zinc/01/84/42/429018442.db2.gz ZTKYVXDTQLWYQP-BPUTZDHNSA-N 2 0 323.868 2.576 20 0 DFADRP C[NH+](C)C[C@H](NC(=O)[C@@H]1CCC[C@H]([NH3+])C1)c1ccc(Cl)cc1 ZINC000423783073 429019160 /nfs/dbraw/zinc/01/91/60/429019160.db2.gz ZTKYVXDTQLWYQP-KBMXLJTQSA-N 2 0 323.868 2.576 20 0 DFADRP CCN(CCC[NH+](C)C)C(=O)C(C)(C)[C@@H]([NH3+])c1ccccc1 ZINC000423798507 429022795 /nfs/dbraw/zinc/02/27/95/429022795.db2.gz PTCPBOSARWMHRM-INIZCTEOSA-N 2 0 305.466 2.513 20 0 DFADRP CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H](C)[C@@H]([NH3+])c1ccccc1 ZINC000423797556 429023342 /nfs/dbraw/zinc/02/33/42/429023342.db2.gz HXVLVSPADVOSPO-CGTJXYLNSA-N 2 0 317.477 2.559 20 0 DFADRP C[NH+](C)CC1CCC([NH2+]Cc2ccc(-c3cc[nH]n3)o2)CC1 ZINC000433335330 429025911 /nfs/dbraw/zinc/02/59/11/429025911.db2.gz PGMUIVQUWWOVGY-UHFFFAOYSA-N 2 0 302.422 2.880 20 0 DFADRP Cc1cc(F)ccc1[C@@H]1CCCN1C[C@H](O)C[N@@H+](C)C1CC1 ZINC000451987073 429031834 /nfs/dbraw/zinc/03/18/34/429031834.db2.gz JGNGFUVMVTWKHQ-AEFFLSMTSA-N 2 0 306.425 2.726 20 0 DFADRP CC[C@H]1CC[C@@H]1[NH2+]CC1(N)CC[NH+](Cc2ccccc2)CC1 ZINC000423570142 428973947 /nfs/dbraw/zinc/97/39/47/428973947.db2.gz NEWIQIFUYUNJOE-ROUUACIJSA-N 2 0 301.478 2.758 20 0 DFADRP C[C@H]([NH2+]CC1(N)CC[NH+](Cc2ccccc2)CC1)C1(C)CC1 ZINC000423574234 428975826 /nfs/dbraw/zinc/97/58/26/428975826.db2.gz PCMQXPWHTVQUEY-INIZCTEOSA-N 2 0 301.478 2.758 20 0 DFADRP CC(C)[C@H]1C[C@H]([NH2+]CCC[N@@H+]2CCCO[C@H](C)C2)CS1 ZINC000433025213 428979992 /nfs/dbraw/zinc/97/99/92/428979992.db2.gz IXJIQIYCNQHHCQ-OWCLPIDISA-N 2 0 300.512 2.607 20 0 DFADRP CC[C@H]1CCCC[N@@H+]1CCNC(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC000354409428 428980541 /nfs/dbraw/zinc/98/05/41/428980541.db2.gz SLFLIVVDYIUAQE-ROUUACIJSA-N 2 0 323.525 2.878 20 0 DFADRP C[N@H+](CCCn1ccnc1)Cc1cnc(-c2ccncc2)s1 ZINC000349406103 428982444 /nfs/dbraw/zinc/98/24/44/428982444.db2.gz KCESCADEYSKGQX-UHFFFAOYSA-N 2 0 313.430 2.924 20 0 DFADRP CC(C)NC(=O)CC[N@@H+]1CCC[C@H](n2ccnc2C(C)C)C1 ZINC000375815961 428984972 /nfs/dbraw/zinc/98/49/72/428984972.db2.gz RDMNMMULXHKZFE-HNNXBMFYSA-N 2 0 306.454 2.558 20 0 DFADRP CON1CCC([NH2+]C2CC[NH+]([C@H]3CCC[C@@H](C)C3)CC2)CC1 ZINC000421399053 428995306 /nfs/dbraw/zinc/99/53/06/428995306.db2.gz PJGFOIDWYGGSMB-QAPCUYQASA-N 2 0 309.498 2.645 20 0 DFADRP CC(C)[C@@](C)(CN)[NH2+]CCC(=O)N[C@@H]1CCCc2ccccc21 ZINC000433492936 429034222 /nfs/dbraw/zinc/03/42/22/429034222.db2.gz HHKHKJAKARNSBQ-IEBWSBKVSA-N 2 0 317.477 2.533 20 0 DFADRP CC[C@H](C(=O)N[C@@H](C)CCCC[NH3+])[N@H+](C)Cc1ccccc1 ZINC000423695018 428998477 /nfs/dbraw/zinc/99/84/77/428998477.db2.gz LBTSAWLCWOMHGN-DOTOQJQBSA-N 2 0 305.466 2.531 20 0 DFADRP [NH3+]C1CC[NH+](CCCC(=O)N(CC2CCCCC2)C2CC2)CC1 ZINC000433131621 428998870 /nfs/dbraw/zinc/99/88/70/428998870.db2.gz AJYXRWOAVGHSOI-UHFFFAOYSA-N 2 0 321.509 2.761 20 0 DFADRP C[C@@H]1CCCC[C@@H]1CCNC(=O)CCC[NH+]1CCC([NH3+])CC1 ZINC000433133709 428999271 /nfs/dbraw/zinc/99/92/71/428999271.db2.gz ZMQCNLYCRBPUNO-HZPDHXFCSA-N 2 0 309.498 2.522 20 0 DFADRP CCC1CCC(CNC(=O)CCC[NH+]2CCC([NH3+])CC2)CC1 ZINC000433130689 428999728 /nfs/dbraw/zinc/99/97/28/428999728.db2.gz IESMJOLGYPTXAF-UHFFFAOYSA-N 2 0 309.498 2.522 20 0 DFADRP CCCC[C@H]1CCC[C@@H]1NC(=O)CCC[NH+]1CCC([NH3+])CC1 ZINC000433151126 429000535 /nfs/dbraw/zinc/00/05/35/429000535.db2.gz HQQJQFKXQGSZFI-RDJZCZTQSA-N 2 0 309.498 2.665 20 0 DFADRP [NH3+]C1CC[NH+](CCCC(=O)N2CCC[C@@H]2c2ccccc2)CC1 ZINC000433147697 429001840 /nfs/dbraw/zinc/00/18/40/429001840.db2.gz ZRNMGJUSYJGYBG-GOSISDBHSA-N 2 0 315.461 2.553 20 0 DFADRP CC[C@@H](NC(=O)CCC[NH+]1CCC([NH3+])CC1)c1cccs1 ZINC000433145314 429002221 /nfs/dbraw/zinc/00/22/21/429002221.db2.gz PQBAKGKVJDFMSA-CQSZACIVSA-N 2 0 309.479 2.519 20 0 DFADRP CCc1cccc(C)c1NC(=O)CCC[NH+]1CCC([NH3+])CC1 ZINC000433144301 429002443 /nfs/dbraw/zinc/00/24/43/429002443.db2.gz LSAVRKSPCREKGZ-UHFFFAOYSA-N 2 0 303.450 2.699 20 0 DFADRP Cc1cc(C)cc([C@@H](C)NC(=O)CCC[NH+]2CCC([NH3+])CC2)c1 ZINC000433162068 429004073 /nfs/dbraw/zinc/00/40/73/429004073.db2.gz YZIPROYMCVYGHH-MRXNPFEDSA-N 2 0 317.477 2.684 20 0 DFADRP C[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCCN(C(=O)CCC2CC[NH2+]CC2)C1 ZINC000423725907 429004681 /nfs/dbraw/zinc/00/46/81/429004681.db2.gz IXBGWEGPKNFLKD-SOLBZPMBSA-N 2 0 321.509 2.630 20 0 DFADRP CC(C)C1CCC(NC(=O)CCC[NH+]2CCC([NH3+])CC2)CC1 ZINC000433166358 429004891 /nfs/dbraw/zinc/00/48/91/429004891.db2.gz FUMGIIIHGVETKG-UHFFFAOYSA-N 2 0 309.498 2.521 20 0 DFADRP C[C@H]([NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccccc1-n1ccnn1 ZINC000375890357 429006959 /nfs/dbraw/zinc/00/69/59/429006959.db2.gz SCPHKPRPIBJISS-XHSDSOJGSA-N 2 0 311.433 2.545 20 0 DFADRP CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)CC[C@@H]1CCC[NH2+]1 ZINC000423750260 429009253 /nfs/dbraw/zinc/00/92/53/429009253.db2.gz XHVREILWFBFAQP-SFHVURJKSA-N 2 0 317.477 2.629 20 0 DFADRP C[C@@H]1CCN(C(=O)CC[C@H]2CCCC[N@@H+]2C)C[C@@H]1n1ccnc1 ZINC000354791690 429009571 /nfs/dbraw/zinc/00/95/71/429009571.db2.gz IBJRBYORXGUOCO-ZACQAIPSSA-N 2 0 318.465 2.557 20 0 DFADRP CN(CC[N@H+](C)C1CCCCC1)C(=O)[C@@H]1CCCC[C@]1(C)[NH3+] ZINC000423764411 429010822 /nfs/dbraw/zinc/01/08/22/429010822.db2.gz SWAKQHYBSPIFPD-WMZOPIPTSA-N 2 0 309.498 2.617 20 0 DFADRP Cc1ccc([C@@H]([NH3+])C(=O)N(C)CC[N@H+](C)C2CCCCC2)cc1 ZINC000423768284 429014227 /nfs/dbraw/zinc/01/42/27/429014227.db2.gz XANXUIWGPBPXCR-GOSISDBHSA-N 2 0 317.477 2.718 20 0 DFADRP CC[NH+]1CCC(NC(=O)CC[C@@H]([NH3+])CC2CCCCC2)CC1 ZINC000424145031 429097744 /nfs/dbraw/zinc/09/77/44/429097744.db2.gz YIILDYVFDHKPRA-MRXNPFEDSA-N 2 0 309.498 2.665 20 0 DFADRP COC[C@H]([NH2+]C[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1)C1CC1 ZINC000423462717 429090423 /nfs/dbraw/zinc/09/04/23/429090423.db2.gz DXHRNNSVDXVZFC-JQHSSLGASA-N 2 0 306.425 2.533 20 0 DFADRP Cc1c([C@H](C)[NH2+]C[C@H]2CCC[C@H]([NH3+])C2)nnn1-c1ccccc1 ZINC000423456806 429090503 /nfs/dbraw/zinc/09/05/03/429090503.db2.gz HGLNSQQGTZQWQU-BPUTZDHNSA-N 2 0 313.449 2.744 20 0 DFADRP CN(Cc1cccnc1)C[C@@H]1CC[N@H+](CC[C@@H]2CCCCO2)C1 ZINC000434499350 429093480 /nfs/dbraw/zinc/09/34/80/429093480.db2.gz YAGRMQUDUNMJSO-OALUTQOASA-N 2 0 317.477 2.795 20 0 DFADRP C[C@@H]1CCC(C)(C)[N@@H+]1CC(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000452005807 429037162 /nfs/dbraw/zinc/03/71/62/429037162.db2.gz KMCCIQXJGXYZOH-NVXWUHKLSA-N 2 0 317.477 2.668 20 0 DFADRP COc1cc(Cl)ccc1[C@@H](C)[NH2+]CCOCC[NH+](C)C ZINC000421844746 429039166 /nfs/dbraw/zinc/03/91/66/429039166.db2.gz UNRFNHPHVGEKDZ-GFCCVEGCSA-N 2 0 300.830 2.577 20 0 DFADRP COC1([C@@H](C)[NH2+]CCC[N@@H+]2CCCO[C@H](C)C2)CCCCC1 ZINC000421859319 429040253 /nfs/dbraw/zinc/04/02/53/429040253.db2.gz SKAXTVVTWXWYEK-IAGOWNOFSA-N 2 0 312.498 2.815 20 0 DFADRP CC[NH+](CC)C[C@H](C)NC(=O)[C@H](c1ccccc1)[NH+](CC)CC ZINC000355594286 429054167 /nfs/dbraw/zinc/05/41/67/429054167.db2.gz KPEDUMAMNKRFMO-WMZOPIPTSA-N 2 0 319.493 2.916 20 0 DFADRP C[NH2+]C[C@@H](C)C[NH2+][C@@H]1CCCc2ncc(C(F)(F)F)cc21 ZINC000423282445 429055341 /nfs/dbraw/zinc/05/53/41/429055341.db2.gz WORNZTBZWIQEIM-ZWNOBZJWSA-N 2 0 301.356 2.923 20 0 DFADRP CC(C)[C@H]([NH3+])CN[C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000423282362 429055741 /nfs/dbraw/zinc/05/57/41/429055741.db2.gz VVZNPTSRBAMQOV-IYWMVGAKSA-N 2 0 315.505 2.860 20 0 DFADRP CCOC(=O)c1oc2c(c1C)[C@H]([NH2+][C@@H]1CCC[C@H]1C[NH3+])CCC2 ZINC000423279195 429055923 /nfs/dbraw/zinc/05/59/23/429055923.db2.gz RRNKQEPKMZBYHI-BFHYXJOUSA-N 2 0 320.433 2.859 20 0 DFADRP CC(C)[C@H]([NH3+])C[NH2+][C@@H]1CCc2cc(Br)ccc2C1 ZINC000423284119 429058142 /nfs/dbraw/zinc/05/81/42/429058142.db2.gz XTHNUNHCDILJBT-HUUCEWRRSA-N 2 0 311.267 2.879 20 0 DFADRP COc1ccccc1NC(=O)C[C@H](C)[NH2+][C@@H]1CCCC[C@@H]1C[NH3+] ZINC000423285253 429058731 /nfs/dbraw/zinc/05/87/31/429058731.db2.gz YYLHRNWUNOSTPJ-RRFJBIMHSA-N 2 0 319.449 2.519 20 0 DFADRP CC(C)[N@H+](CC(=O)NC1CC[NH+](C2CC2)CC1)C1CC(C)(C)C1 ZINC000452103288 429059463 /nfs/dbraw/zinc/05/94/63/429059463.db2.gz KFIQSARKXCJLGY-UHFFFAOYSA-N 2 0 321.509 2.628 20 0 DFADRP CCn1cc([C@H]2OCCC[C@@H]2[NH2+]C2CC[NH+](C(C)C)CC2)cn1 ZINC000433954311 429064099 /nfs/dbraw/zinc/06/40/99/429064099.db2.gz RTTDMHDVGLXUEE-ZWKOTPCHSA-N 2 0 320.481 2.586 20 0 DFADRP [NH3+]CCCC[NH2+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000423327497 429064378 /nfs/dbraw/zinc/06/43/78/429064378.db2.gz NFYXWJPOBKKSJG-GUDVDZBRSA-N 3 0 301.478 2.616 20 0 DFADRP Fc1ccc(F)c2c1CC[C@H]2[NH2+]C[C@H]1CCNCC1(F)F ZINC000423483881 429097039 /nfs/dbraw/zinc/09/70/39/429097039.db2.gz SAJDYHXFEJIQCV-NOZJJQNGSA-N 2 0 302.315 2.787 20 0 DFADRP C[N@H+](CC[C@@H]1CCC[NH+]1C)C1CCN(CCC(F)(F)F)CC1 ZINC000452119523 429064624 /nfs/dbraw/zinc/06/46/24/429064624.db2.gz QGOXRLDBSXZEKR-AWEZNQCLSA-N 2 0 321.431 2.819 20 0 DFADRP COc1cc([C@H](C)[NH2+]CC2(C)CC[NH2+]CC2)cc(OC)c1OC ZINC000423329567 429064856 /nfs/dbraw/zinc/06/48/56/429064856.db2.gz MVQYJBWCGULXAX-ZDUSSCGKSA-N 2 0 322.449 2.753 20 0 DFADRP Brc1ccccc1C[C@H]([NH2+]C[C@H]1CC[NH2+]C1)C1CC1 ZINC000423330772 429065164 /nfs/dbraw/zinc/06/51/64/429065164.db2.gz GGUPFVQOKODLRY-LRDDRELGSA-N 2 0 323.278 2.969 20 0 DFADRP C[C@@H]([NH3+])c1ccc(C(=O)N[C@H](CCC[NH3+])c2ccccc2)cc1 ZINC000423962623 429065273 /nfs/dbraw/zinc/06/52/73/429065273.db2.gz FHGSTRHYRCXLET-RDTXWAMCSA-N 2 0 311.429 2.916 20 0 DFADRP CC[C@@H]([NH2+]C[C@]1(C)CCC[NH2+]C1)c1ccc2c(c1)OCCO2 ZINC000423330989 429065905 /nfs/dbraw/zinc/06/59/05/429065905.db2.gz OATCXSJLPMVKNA-CRAIPNDOSA-N 2 0 304.434 2.888 20 0 DFADRP c1ccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@@H]([NH2+]CC2=CC[NH2+]CC2)C3)cc1 ZINC000423334741 429067396 /nfs/dbraw/zinc/06/73/96/429067396.db2.gz FXPWPQZKCKQRGX-ACDBMABISA-N 3 0 311.473 2.691 20 0 DFADRP C[NH+](C)[C@H](CNC(=O)[C@H]([NH3+])CC1CCCCC1)c1ccsc1 ZINC000423339567 429067418 /nfs/dbraw/zinc/06/74/18/429067418.db2.gz VJRVUGGCVMTOSP-HZPDHXFCSA-N 2 0 323.506 2.765 20 0 DFADRP CCN(CC)C(=O)Nc1ccc([C@H](C)[NH2+]C[C@H]2CC[NH2+]C2)cc1 ZINC000423341055 429067562 /nfs/dbraw/zinc/06/75/62/429067562.db2.gz MHWONBSFUZNBLS-GJZGRUSLSA-N 2 0 318.465 2.820 20 0 DFADRP FC(F)(F)Oc1cccc([C@H]([NH2+]CC2C[NH2+]C2)C2CC2)c1 ZINC000423331784 429067750 /nfs/dbraw/zinc/06/77/50/429067750.db2.gz UVYQVVQVUXQUNA-CQSZACIVSA-N 2 0 300.324 2.845 20 0 DFADRP C[C@H](C[NH3+])N[C@@H]1CCCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000423331991 429068310 /nfs/dbraw/zinc/06/83/10/429068310.db2.gz QPVIQIMSMBVGLR-NXWXRZEISA-N 2 0 301.478 2.614 20 0 DFADRP CN1CC[C@H]([NH2+]CC2(C)CC[NH2+]CC2)C[C@@H]1c1ccccc1 ZINC000423335337 429068519 /nfs/dbraw/zinc/06/85/19/429068519.db2.gz RQPHWFOSTOSWHQ-ZWKOTPCHSA-N 2 0 301.478 2.801 20 0 DFADRP C[C@@H](CNC(=O)[C@H]([NH3+])CC1CCCCC1)[N@@H+]1CCCC[C@H]1C ZINC000423332802 429068691 /nfs/dbraw/zinc/06/86/91/429068691.db2.gz PKELQWFWOLQJEN-HLLBOEOZSA-N 2 0 309.498 2.663 20 0 DFADRP [NH3+]CCCC[NH2+][C@@H]1CCCOc2ccc(Br)cc21 ZINC000423342787 429069269 /nfs/dbraw/zinc/06/92/69/429069269.db2.gz VRKQBBDPTMNVBA-CYBMUJFWSA-N 2 0 313.239 2.991 20 0 DFADRP C[C@@H](NC[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1)[C@H]1CCCC[NH2+]1 ZINC000423483739 429097209 /nfs/dbraw/zinc/09/72/09/429097209.db2.gz ZBXMJHURYIAIFH-IWKCEXAMSA-N 3 0 319.468 2.639 20 0 DFADRP CC(C)[NH+]1CCC(C(=O)N[C@@H](CCC[NH3+])c2ccccc2)CC1 ZINC000423977359 429070393 /nfs/dbraw/zinc/07/03/93/429070393.db2.gz VQBWJONROQPRID-SFHVURJKSA-N 2 0 317.477 2.703 20 0 DFADRP CCOC(=O)[C@@H]1CC[C@H]([NH2+]CC2=CC[NH2+]CC2)c2ccccc21 ZINC000423345234 429070742 /nfs/dbraw/zinc/07/07/42/429070742.db2.gz FUXKMIFCEADAML-MSOLQXFVSA-N 2 0 314.429 2.678 20 0 DFADRP c1ccc(C[N@@H+]2C[C@@H]3CCC[C@@H](N[C@@H]4CCC[NH2+]C4)[C@H]3C2)cc1 ZINC000423361858 429071298 /nfs/dbraw/zinc/07/12/98/429071298.db2.gz SHPWNHIPHGWURQ-ZGXWSNOMSA-N 2 0 313.489 2.629 20 0 DFADRP CC(C)[C@H](C(=O)N1CCC[C@H](C[N@@H+]2CCCC[C@@H]2C)C1)[C@H](C)[NH3+] ZINC000423359876 429071516 /nfs/dbraw/zinc/07/15/16/429071516.db2.gz PUHYRJOPVYTESO-FJIDUMEYSA-N 2 0 323.525 2.719 20 0 DFADRP C[C@H](CCCC[NH3+])[NH2+][C@H]1CNCC[C@H]1c1ccc(F)c(F)c1 ZINC000423361930 429071732 /nfs/dbraw/zinc/07/17/32/429071732.db2.gz HDKUVJUIIJAEHF-IFIJOSMWSA-N 2 0 311.420 2.517 20 0 DFADRP COc1cccc2c1CC[C@@H]([NH2+]Cc1ccc3c(c1)C[NH2+]C3)C2 ZINC000423369552 429073611 /nfs/dbraw/zinc/07/36/11/429073611.db2.gz FCOINKCXTXELBX-GOSISDBHSA-N 2 0 308.425 2.946 20 0 DFADRP COCCOc1ccc([C@H](C)[NH2+][C@H]2CC[NH2+][C@H](C)C2)cc1OC ZINC000423368173 429074543 /nfs/dbraw/zinc/07/45/43/429074543.db2.gz DTOTYDMNGXIMRE-YCPHGPKFSA-N 2 0 322.449 2.512 20 0 DFADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NCC[C@H]1CCC[NH2+]1 ZINC000423366784 429074849 /nfs/dbraw/zinc/07/48/49/429074849.db2.gz QJOUDSOKEZIOKR-QRQLOZEOSA-N 2 0 301.478 2.629 20 0 DFADRP C[C@H](Cc1ccccc1)[NH+]1CCC(N[C@@H]2C[NH2+]CC[C@H]2C)CC1 ZINC000423375172 429076463 /nfs/dbraw/zinc/07/64/63/429076463.db2.gz XORHHDDMBHWCIN-MBOZVWFJSA-N 2 0 315.505 2.670 20 0 DFADRP COCCOc1ccc([C@H](C)[NH2+]CC[C@H]2CCC[NH2+]2)cc1OC ZINC000423375058 429076501 /nfs/dbraw/zinc/07/65/01/429076501.db2.gz XKGJBQMHUAFYBE-GOEBONIOSA-N 2 0 322.449 2.513 20 0 DFADRP C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)c1ccc([C@H](C)[NH3+])cc1 ZINC000423374610 429076998 /nfs/dbraw/zinc/07/69/98/429076998.db2.gz XGGABPGXCAJCOD-QXSJWSMHSA-N 2 0 317.477 2.803 20 0 DFADRP CC[NH2+][C@H](C)CN[C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000423382993 429077815 /nfs/dbraw/zinc/07/78/15/429077815.db2.gz OZBGHTQZHNEJNQ-BTHPGYMESA-N 2 0 315.505 2.875 20 0 DFADRP C[C@H](N[C@@H]1CC[NH2+][C@H](C)C1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000423374751 429077897 /nfs/dbraw/zinc/07/78/97/429077897.db2.gz IIYXEKSZQQWJBS-KCITZHQASA-N 2 0 301.478 2.627 20 0 DFADRP COc1cc(NC(C)=O)ccc1[C@@H](C)[NH2+]CCC[C@H]1CCC[NH2+]1 ZINC000423489702 429097394 /nfs/dbraw/zinc/09/73/94/429097394.db2.gz WWHKXIJKNPYAEL-HIFRSBDPSA-N 2 0 319.449 2.836 20 0 DFADRP C[C@@H]1C[NH2+]CC[C@H]1[NH2+][C@H]1CCc2cc(Br)ccc2C1 ZINC000423407640 429080640 /nfs/dbraw/zinc/08/06/40/429080640.db2.gz WEDSDTQKGXMZCV-XFBWCDHKSA-N 2 0 323.278 2.894 20 0 DFADRP C[C@H](CC(=O)N(C)c1ccccc1)[NH2+]Cc1ccc2c(c1)C[NH2+]C2 ZINC000423403693 429080650 /nfs/dbraw/zinc/08/06/50/429080650.db2.gz XCUJUEWJPIZYHX-OAHLLOKOSA-N 2 0 323.440 2.821 20 0 DFADRP CC[C@@H]([NH2+]C[C@@H](N1CC[NH2+]CC1)C(F)(F)F)c1cccs1 ZINC000423403164 429081569 /nfs/dbraw/zinc/08/15/69/429081569.db2.gz YZPSOUFQIKZWTC-DGCLKSJQSA-N 2 0 321.412 2.625 20 0 DFADRP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1N[C@H](C[NH3+])c1ccc2ccccc2c1 ZINC000423408383 429081784 /nfs/dbraw/zinc/08/17/84/429081784.db2.gz XJZXBPNWRIMWCO-XMCHAPAWSA-N 2 0 309.457 2.912 20 0 DFADRP Cc1ccsc1[C@H](C)[NH2+]C[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000423400740 429081879 /nfs/dbraw/zinc/08/18/79/429081879.db2.gz XCQRYNASQZIVOT-NWDGAFQWSA-N 2 0 321.412 2.543 20 0 DFADRP O[C@@H]1C[NH2+]C[C@@H]1C[NH2+][C@@H](CCc1ccccc1)c1ccccc1 ZINC000423400669 429081970 /nfs/dbraw/zinc/08/19/70/429081970.db2.gz FXGSJPIKYMADFY-HSALFYBXSA-N 2 0 310.441 2.530 20 0 DFADRP C[C@@H](CC(=O)N(C)c1ccccc1)[NH2+]Cc1ccc2c(c1)C[NH2+]C2 ZINC000423403678 429082240 /nfs/dbraw/zinc/08/22/40/429082240.db2.gz XCUJUEWJPIZYHX-HNNXBMFYSA-N 2 0 323.440 2.821 20 0 DFADRP C[C@@H]1C[NH2+]CC[C@@H]1[NH2+][C@@H]1CCc2cc(Br)ccc2C1 ZINC000423407638 429082285 /nfs/dbraw/zinc/08/22/85/429082285.db2.gz WEDSDTQKGXMZCV-LYRGGWFBSA-N 2 0 323.278 2.894 20 0 DFADRP CCC[N@H+](CC)Cc1ccc(C(=O)NC(C)(C)CC[NH3+])cc1 ZINC000424049461 429082971 /nfs/dbraw/zinc/08/29/71/429082971.db2.gz VQEKBHYZHWTZBB-UHFFFAOYSA-N 2 0 305.466 2.776 20 0 DFADRP CCc1nc(C)c([C@@H](C)[NH2+]CC2(COC)CC[NH2+]CC2)s1 ZINC000423412145 429083489 /nfs/dbraw/zinc/08/34/89/429083489.db2.gz WHKIFYWCKZCITE-GFCCVEGCSA-N 2 0 311.495 2.681 20 0 DFADRP COCC1(C[NH2+][C@H]2CCCOc3cc(F)ccc32)CC[NH2+]CC1 ZINC000423411905 429083826 /nfs/dbraw/zinc/08/38/26/429083826.db2.gz VTVIVYKXNVXGFT-INIZCTEOSA-N 2 0 322.424 2.645 20 0 DFADRP Cc1ccc(C[C@H]([NH2+]C[C@@H]2C[NH2+]C[C@H]2O)c2ccc(C)cc2)cc1 ZINC000423412141 429083884 /nfs/dbraw/zinc/08/38/84/429083884.db2.gz WHGZEKALDLNNEP-PCCBWWKXSA-N 2 0 324.468 2.757 20 0 DFADRP COC[C@]1(C[NH2+][C@@H](Cc2ccccc2C)C2CC2)CCC[NH2+]1 ZINC000423415830 429084671 /nfs/dbraw/zinc/08/46/71/429084671.db2.gz PNJQSSLTYPMCAL-RBUKOAKNSA-N 2 0 302.462 2.674 20 0 DFADRP C[C@@H]([NH2+]C[C@H]1CC[C@H](C[NH3+])CC1)c1ccc2c(c1)OCCO2 ZINC000423419034 429085578 /nfs/dbraw/zinc/08/55/78/429085578.db2.gz IHBOZMUAOBPQAR-RBSFLKMASA-N 2 0 304.434 2.874 20 0 DFADRP C[NH2+]C[C@@H]1CCCN(C(=O)CC[C@@H]([NH3+])CC2CCCCC2)C1 ZINC000424064299 429086043 /nfs/dbraw/zinc/08/60/43/429086043.db2.gz YWXKVNVIWPWIII-DLBZAZTESA-N 2 0 309.498 2.522 20 0 DFADRP Cc1cc(N)cc(C[NH2+][C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)c1 ZINC000423481252 429097659 /nfs/dbraw/zinc/09/76/59/429097659.db2.gz PZTXFLIEUHWGMK-QUCCMNQESA-N 2 0 323.440 2.923 20 0 DFADRP C[C@@H]([NH3+])c1ccc(C(=O)N2CC[C@@H](C[N@H+](C)CC3CC3)C2)cc1 ZINC000423434557 429087547 /nfs/dbraw/zinc/08/75/47/429087547.db2.gz ODNAUPVQPYXCMJ-ZBFHGGJFSA-N 2 0 315.461 2.510 20 0 DFADRP C[C@@H]([NH3+])C1CCN(C(=O)CC[C@H]([NH3+])CC2CCCCC2)CC1 ZINC000424077025 429088514 /nfs/dbraw/zinc/08/85/14/429088514.db2.gz MYKKGJJEERGQLU-PBHICJAKSA-N 2 0 309.498 2.650 20 0 DFADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]C/C=C\c2ccncc2)[C@H](C)C1 ZINC000487265820 429146180 /nfs/dbraw/zinc/14/61/80/429146180.db2.gz BLUHOANRXORCKW-VSNBLRCJSA-N 2 0 317.477 2.821 20 0 DFADRP C[C@@H]1C[N@H+](CCCn2ccnc2)CC[C@@H]1NC(=O)OC(C)(C)C ZINC000494713031 429146694 /nfs/dbraw/zinc/14/66/94/429146694.db2.gz UNNUKYAJHMZROX-CABCVRRESA-N 2 0 322.453 2.508 20 0 DFADRP C[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1[NH2+]CCCC[NH+](C)C ZINC000494743117 429150260 /nfs/dbraw/zinc/15/02/60/429150260.db2.gz VVMNALFQGNKZQY-HUUCEWRRSA-N 2 0 313.486 2.563 20 0 DFADRP C[C@H]([NH2+][C@@H]1CC[C@@H](C[NH3+])C1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000423495520 429099359 /nfs/dbraw/zinc/09/93/59/429099359.db2.gz UNDZUDJVINYUCI-OGHNNQOOSA-N 2 0 316.449 2.749 20 0 DFADRP CC(C)OCCCC[NH2+][C@@H]1CC[N@H+](C[C@H]2CCCO2)C[C@@H]1C ZINC000376361140 429099655 /nfs/dbraw/zinc/09/96/55/429099655.db2.gz RODMNRBDSBPCGU-RCCFBDPRSA-N 2 0 312.498 2.671 20 0 DFADRP CC(C)n1cncc1C[NH2+]Cc1ccc(F)c(C[NH+](C)C)c1 ZINC000424147781 429100040 /nfs/dbraw/zinc/10/00/40/429100040.db2.gz SFOCNHATCOMUEB-UHFFFAOYSA-N 2 0 304.413 2.955 20 0 DFADRP FCCC[C@@H]1CCC[C@@H]1[NH2+]C1CCC([NH+]2CCNCC2)CC1 ZINC000423500515 429101313 /nfs/dbraw/zinc/10/13/13/429101313.db2.gz APKJWZZENOKYHK-BFWZDYSYSA-N 2 0 311.489 2.711 20 0 DFADRP COc1cc(C)c(C[C@@H](C)[N@@H+]2C[C@@H](C)[C@](C)(C[NH3+])C2)cc1OC ZINC000423501640 429101665 /nfs/dbraw/zinc/10/16/65/429101665.db2.gz BNIGKLDZCNOPMN-SPYBWZPUSA-N 2 0 320.477 2.860 20 0 DFADRP FCCC[C@@H]1CCC[C@H]1[NH2+]C1CCC([NH+]2CCNCC2)CC1 ZINC000423500519 429101885 /nfs/dbraw/zinc/10/18/85/429101885.db2.gz APKJWZZENOKYHK-FCCDEINASA-N 2 0 311.489 2.711 20 0 DFADRP COc1ccc2c(c1)[C@H]([N@@H+]1C[C@@H](C)[C@](C)(C[NH3+])C1)CCCO2 ZINC000423502571 429101997 /nfs/dbraw/zinc/10/19/97/429101997.db2.gz CXTSLRSDBYNUNE-MZMPZRCHSA-N 2 0 304.434 2.826 20 0 DFADRP CCc1ccccc1[C@@H](N)C[NH2+][C@@H](C)c1ccc(C[NH3+])nc1C ZINC000423501716 429102266 /nfs/dbraw/zinc/10/22/66/429102266.db2.gz LMYUXNQIYHOFTK-DJJJIMSYSA-N 2 0 312.461 2.762 20 0 DFADRP COc1ccc2c(c1)[C@@H]([N@@H+]1C[C@@H](C)[C@](C)(C[NH3+])C1)CCCO2 ZINC000423502574 429102371 /nfs/dbraw/zinc/10/23/71/429102371.db2.gz CXTSLRSDBYNUNE-RPVQJOFSSA-N 2 0 304.434 2.826 20 0 DFADRP CC[N@H+](Cc1ccc(C(=O)N[C@@H]2CCC[NH2+][C@H]2C)cc1)C1CC1 ZINC000434704141 429106697 /nfs/dbraw/zinc/10/66/97/429106697.db2.gz XGPLKVGUPORYFQ-KBXCAEBGSA-N 2 0 315.461 2.541 20 0 DFADRP C[C@@H]1CCN(C(=O)CC[C@@H]([NH3+])CC2CCCCC2)[C@H](C[NH3+])C1 ZINC000424178078 429106837 /nfs/dbraw/zinc/10/68/37/429106837.db2.gz QSZFRDGZKDUIIP-OIISXLGYSA-N 2 0 309.498 2.650 20 0 DFADRP Cc1ccsc1[C@@H](C)[NH2+]C1CCC([NH+]2CCNCC2)CC1 ZINC000423526450 429107892 /nfs/dbraw/zinc/10/78/92/429107892.db2.gz ZINYGHLZRMHUFO-QQFBHYJXSA-N 2 0 307.507 2.924 20 0 DFADRP COc1cccc([C@H](C)[NH2+]C2CCC([NH+]3CCNCC3)CC2)c1 ZINC000423523547 429108322 /nfs/dbraw/zinc/10/83/22/429108322.db2.gz WCECEGKYAVADOI-ZLPCBKJTSA-N 2 0 317.477 2.562 20 0 DFADRP Cc1ccc2c(c1)[C@H]([NH2+]C1CCC([NH+]3CCNCC3)CC1)CC2 ZINC000423526627 429108853 /nfs/dbraw/zinc/10/88/53/429108853.db2.gz ZRNNHUIYKDLEGH-AFMYVXGZSA-N 2 0 313.489 2.788 20 0 DFADRP [NH3+][C@H](CCC(=O)NCCC[C@@H]1CCC[NH2+]1)CC1CCCCC1 ZINC000424189386 429109206 /nfs/dbraw/zinc/10/92/06/429109206.db2.gz KNHQQLWWJKQRNF-SJORKVTESA-N 2 0 309.498 2.713 20 0 DFADRP Cc1nn(C)c2sc([C@H](C)[N@@H+]3C[C@@H](C)[C@](C)(C[NH3+])C3)cc12 ZINC000423531577 429110021 /nfs/dbraw/zinc/11/00/21/429110021.db2.gz YDJLYMGKWMTKLL-RSAASHCRSA-N 2 0 306.479 2.921 20 0 DFADRP c1ccc([C@@H]2C[NH2+]C[C@H]2N[C@@H]2CC[NH2+][C@@H](c3ccccc3)C2)cc1 ZINC000423534432 429110292 /nfs/dbraw/zinc/11/02/92/429110292.db2.gz VYVJKTUGZUMMII-PLACYPQZSA-N 2 0 321.468 2.825 20 0 DFADRP COC[C@H]([NH2+]CC1([NH3+])C2CC3CC(C2)CC1C3)C1CCCC1 ZINC000423532069 429111358 /nfs/dbraw/zinc/11/13/58/429111358.db2.gz UKFFGNHAXLNGCT-ZOAJIZILSA-N 2 0 306.494 2.935 20 0 DFADRP COC(=O)CC1CC([NH2+]Cc2ccccc2C[N@H+](C)C(C)C)C1 ZINC000424256622 429114707 /nfs/dbraw/zinc/11/47/07/429114707.db2.gz ARRYSFYJYYEWKL-UHFFFAOYSA-N 2 0 318.461 2.958 20 0 DFADRP Cc1cc(C[NH3+])cc(NC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)c1 ZINC000424252745 429115087 /nfs/dbraw/zinc/11/50/87/429115087.db2.gz ZHSSOAZVKGVCJK-QGZVFWFLSA-N 2 0 303.450 2.903 20 0 DFADRP CCN1CC[C@H]2CC[C@@H](C1)[N@@H+]2CCOCCOc1ccccc1 ZINC000435003290 429118203 /nfs/dbraw/zinc/11/82/03/429118203.db2.gz LSHHHXXNBXGQRK-MSOLQXFVSA-N 2 0 318.461 2.641 20 0 DFADRP C[C@@H]1CC2(C[N@@H+]1Cc1nc3cccnc3s1)CC[NH2+]CC2 ZINC000424295961 429121349 /nfs/dbraw/zinc/12/13/49/429121349.db2.gz RTQIIZIZKORHBH-GFCCVEGCSA-N 2 0 302.447 2.655 20 0 DFADRP Cc1cccc(NC(=O)C[N@H+]2CC3(C[C@H]2C)CC[NH2+]CC3)c1C ZINC000424302507 429122691 /nfs/dbraw/zinc/12/26/91/429122691.db2.gz ZRNROZUIYVGNIE-OAHLLOKOSA-N 2 0 315.461 2.706 20 0 DFADRP [NH3+]CCCN(Cc1ccccc1)C[C@@H](C[NH3+])c1ccc(F)cc1 ZINC000424305472 429122815 /nfs/dbraw/zinc/12/28/15/429122815.db2.gz SJWJCYHWKZEGAX-GOSISDBHSA-N 2 0 315.436 2.719 20 0 DFADRP c1ccc(CN2CC[C@H]3C[N@@H+](CCC4CC[NH2+]CC4)C[C@H]32)cc1 ZINC000424340700 429129428 /nfs/dbraw/zinc/12/94/28/429129428.db2.gz YSJLOIPIJBMOEQ-VQTJNVASSA-N 2 0 313.489 2.582 20 0 DFADRP CO[C@H]1C[C@H]2C[C@H]([NH2+]CC3(SC)CC[NH+](C)CC3)C[C@H]2C1 ZINC000424342533 429129898 /nfs/dbraw/zinc/12/98/98/429129898.db2.gz DGKROGQQNWRASC-PLAPLOCASA-N 2 0 312.523 2.607 20 0 DFADRP CCC[C@H](C)NC(=O)[C@@H]1CCC[N@H+](CC[C@@H]2CCCC[NH+]2C)C1 ZINC000435331565 429130722 /nfs/dbraw/zinc/13/07/22/429130722.db2.gz IBXAKPCTYVYYJK-KSZLIROESA-N 2 0 323.525 2.878 20 0 DFADRP C[C@@H]1C[C@@H](C[N@@H+]2C[C@@H]3CCN(Cc4ccccc4)[C@@H]3C2)CC[NH2+]1 ZINC000424363322 429132409 /nfs/dbraw/zinc/13/24/09/429132409.db2.gz BQKUPJSAGDMYNB-BTHPGYMESA-N 2 0 313.489 2.581 20 0 DFADRP CCc1ccccc1NC(=O)C[C@@H](C)[NH2+][C@@H]1CCCC[C@H]1[NH3+] ZINC000424367511 429132506 /nfs/dbraw/zinc/13/25/06/429132506.db2.gz MKWNLCNEBCXTPX-FRFSOERESA-N 2 0 303.450 2.826 20 0 DFADRP C[C@@H]1CC[C@@H](C[N@H+](C)C2CCN(Cc3ccncc3)CC2)O1 ZINC000376559950 429135508 /nfs/dbraw/zinc/13/55/08/429135508.db2.gz AZONGGDMMSVCAN-QAPCUYQASA-N 2 0 303.450 2.545 20 0 DFADRP COc1nc(C)cc(C)c1C[N@H+](C)C[C@H]1CCc2nccn2C1 ZINC000376557941 429136270 /nfs/dbraw/zinc/13/62/70/429136270.db2.gz LSSDRMCMCQORSM-OAHLLOKOSA-N 2 0 314.433 2.598 20 0 DFADRP COc1ccc(-c2ccncc2)cc1C[N@@H+]1CCC[C@@H](C[NH3+])C1 ZINC000435382188 429137461 /nfs/dbraw/zinc/13/74/61/429137461.db2.gz CAKHUEUHPYYTIX-HNNXBMFYSA-N 2 0 311.429 2.928 20 0 DFADRP CC[N@H+](Cc1cc(-n2ccnc2)cs1)[C@@H]1CCC[NH2+]CC1 ZINC000435392500 429138966 /nfs/dbraw/zinc/13/89/66/429138966.db2.gz WTSXABFVVFEWCF-CQSZACIVSA-N 2 0 304.463 2.898 20 0 DFADRP COc1ccc(C[C@H](C)C[N@@H+]2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)cc1F ZINC000435392094 429139942 /nfs/dbraw/zinc/13/99/42/429139942.db2.gz ZVAMJIDWNBEYKL-QEWYBTABSA-N 2 0 306.425 2.682 20 0 DFADRP COCCCCC[N@@H+](Cc1scnc1C)C[C@H]1CC[NH2+]C1 ZINC000435723448 429161455 /nfs/dbraw/zinc/16/14/55/429161455.db2.gz SJXBUOGHPFIBPB-HNNXBMFYSA-N 2 0 311.495 2.680 20 0 DFADRP COc1ccc(C[N@@H+]2CC[C@H](CNc3cc(C)cc[nH+]3)C2)cn1 ZINC000364054899 429163602 /nfs/dbraw/zinc/16/36/02/429163602.db2.gz KQTFOXAHZYQDIA-MRXNPFEDSA-N 2 0 312.417 2.728 20 0 DFADRP C(=C/c1ccncc1)\C[NH+]1CCC(OCC[NH+]2CCCC2)CC1 ZINC000494970070 429168003 /nfs/dbraw/zinc/16/80/03/429168003.db2.gz BWCXWPGPKFIQJB-ONEGZZNKSA-N 2 0 315.461 2.672 20 0 DFADRP c1ccc([C@@H]2OCC[C@H]2C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000191858125 275068424 /nfs/dbraw/zinc/06/84/24/275068424.db2.gz HWUKPECPGOSWPY-OKYOBFRVSA-N 2 0 300.446 2.981 20 0 DFADRP CC1(C)NC(=O)CC[C@@H]1[NH2+]C[C@H]1CCCN1CC1CCCCC1 ZINC000495069360 429174939 /nfs/dbraw/zinc/17/49/39/429174939.db2.gz SBLFXAIAHKQULK-SJORKVTESA-N 2 0 321.509 2.678 20 0 DFADRP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC[C@@H]1CCC[NH+]1C1CCCCC1 ZINC000436297776 429195377 /nfs/dbraw/zinc/19/53/77/429195377.db2.gz NXPUSLGUIHFJMD-MNEFBYGVSA-N 2 0 305.510 2.856 20 0 DFADRP O[C@H](C[NH2+][C@H]1CC[C@H](c2ccccc2)C1)C[NH+]1CCCCC1 ZINC000436278366 429192870 /nfs/dbraw/zinc/19/28/70/429192870.db2.gz DOSVPLDSGWZLBQ-GBESFXJTSA-N 2 0 302.462 2.759 20 0 DFADRP CCN(C)C(=O)OC[C@@H]1CCCC[N@@H+]1CCCn1ccnc1C ZINC000495640448 429237534 /nfs/dbraw/zinc/23/75/34/429237534.db2.gz LTXRANPSAFIQKP-INIZCTEOSA-N 2 0 322.453 2.524 20 0 DFADRP C[N@H+](CCCCC(=O)OC(C)(C)C)C[C@H]1CCc2nccn2C1 ZINC000364711122 429253002 /nfs/dbraw/zinc/25/30/02/429253002.db2.gz SIZNWLOLDVSNAG-OAHLLOKOSA-N 2 0 321.465 2.889 20 0 DFADRP CC[C@@H]1C[N@H+](CC)CCN1C(=O)[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC000456368118 429289389 /nfs/dbraw/zinc/28/93/89/429289389.db2.gz DUDDMBVDPLGDIK-IAGOWNOFSA-N 2 0 321.509 2.584 20 0 DFADRP CC[N@@H+]1CC[C@H](C[NH2+]Cc2cn(C)nc2-c2ccc(F)cc2)C1 ZINC000449090774 429330024 /nfs/dbraw/zinc/33/00/24/429330024.db2.gz ODPAEZWHEDGPMX-CQSZACIVSA-N 2 0 316.424 2.658 20 0 DFADRP COc1cc(C)ccc1C[NH2+]CCCC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000449103797 429332108 /nfs/dbraw/zinc/33/21/08/429332108.db2.gz RZWCYXDBZIRVPJ-IRXDYDNUSA-N 2 0 320.477 2.983 20 0 DFADRP COC[C@H](C)C[NH2+]C1CC[NH+]([C@@H](C)Cc2ccccc2)CC1 ZINC000449104826 429333016 /nfs/dbraw/zinc/33/30/16/429333016.db2.gz GMFRFDCFSHQACM-SJORKVTESA-N 2 0 304.478 2.954 20 0 DFADRP C[NH2+][C@H](CC(C)(C)C)C(=O)NC1CC[NH+](CC2CCCC2)CC1 ZINC000449109429 429335201 /nfs/dbraw/zinc/33/52/01/429335201.db2.gz WQJJDYHNIUYYIG-QGZVFWFLSA-N 2 0 323.525 2.781 20 0 DFADRP C[NH2+][C@H](CC(C)(C)C)C(=O)NC[C@H]([NH3+])c1ccc(C(C)C)cc1 ZINC000449107603 429335300 /nfs/dbraw/zinc/33/53/00/429335300.db2.gz MZXJAFZHKZCSHQ-DLBZAZTESA-N 2 0 319.493 2.950 20 0 DFADRP Cc1cnn(CCCCC[N@@H+]2C[C@@H]3C[NH+]4CCCC[C@@H]4[C@H]3C2)c1 ZINC000365535746 429337005 /nfs/dbraw/zinc/33/70/05/429337005.db2.gz IFCQRCPFSWOYTA-CEXWTWQISA-N 2 0 316.493 2.778 20 0 DFADRP C[C@H](Cc1coc2ccccc12)[NH2+][C@H](C)CN1CC[NH+](C)CC1 ZINC000449126799 429339076 /nfs/dbraw/zinc/33/90/76/429339076.db2.gz VUUWKCLKKBKQNQ-HZPDHXFCSA-N 2 0 315.461 2.589 20 0 DFADRP C[C@@H](Cc1coc2ccccc12)[NH2+][C@@H](C)CN1CC[NH+](C)CC1 ZINC000449126797 429339096 /nfs/dbraw/zinc/33/90/96/429339096.db2.gz VUUWKCLKKBKQNQ-HOTGVXAUSA-N 2 0 315.461 2.589 20 0 DFADRP C[NH2+][C@@H](CC(C)(C)C)C(=O)NCc1ccc(F)c(C[NH+](C)C)c1 ZINC000449128606 429339109 /nfs/dbraw/zinc/33/91/09/429339109.db2.gz SROVECQWBOCJOL-INIZCTEOSA-N 2 0 323.456 2.528 20 0 DFADRP C[C@H]([NH3+])c1ccc(NC(=O)[C@]2(c3ccccc3)CC[NH2+]C2)cc1 ZINC000449130099 429340313 /nfs/dbraw/zinc/34/03/13/429340313.db2.gz XKKKRUDCFBEGRR-IFXJQAMLSA-N 2 0 309.413 2.576 20 0 DFADRP CC(C)(C)CC(C)(C)[NH+]1CCC([NH2+][C@@H]2CCC(=O)NC2)CC1 ZINC000449133753 429340454 /nfs/dbraw/zinc/34/04/54/429340454.db2.gz FFABPIXQUSVGHT-OAHLLOKOSA-N 2 0 309.498 2.534 20 0 DFADRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H]2CCO[C@H](CC)C2)[C@@H](C)C1 ZINC000449139864 429341520 /nfs/dbraw/zinc/34/15/20/429341520.db2.gz LZPJNYZQJFZEBO-MLHJIOFPSA-N 2 0 312.498 2.671 20 0 DFADRP C[C@H](Cc1coc2ccccc12)[NH2+]C[C@H](C)N1CC[NH+](C)CC1 ZINC000449138082 429342397 /nfs/dbraw/zinc/34/23/97/429342397.db2.gz ZUCBYKPVCDNLTC-CVEARBPZSA-N 2 0 315.461 2.589 20 0 DFADRP C[N@@H+]1CCC[C@@H]1CCN1C[C@@H]2CC[NH+](Cc3ccccc3)[C@@H]2C1 ZINC000425500825 429309911 /nfs/dbraw/zinc/30/99/11/429309911.db2.gz MTEZVFNHCPVSQM-XUVXKRRUSA-N 2 0 313.489 2.677 20 0 DFADRP CC(C)[N@@H+]1CC[C@H](N(C)C(=O)[C@H]2CCCC[NH+]2C2CCCC2)C1 ZINC000457084831 429397342 /nfs/dbraw/zinc/39/73/42/429397342.db2.gz GWFOMZCMFNLKFK-ZWKOTPCHSA-N 2 0 321.509 2.725 20 0 DFADRP Cn1ccnc1[C@H]([NH2+][C@H]1CC[C@@H](C[NH3+])C1)c1ccc(Cl)cc1 ZINC000517918866 429402561 /nfs/dbraw/zinc/40/25/61/429402561.db2.gz WAOXKCPFNHWBDO-UHOFOFEASA-N 2 0 318.852 2.880 20 0 DFADRP c1ccc(C[N@@H+]2C[C@@H]3[C@H]([NH2+]CC4=CCOCC4)CC[C@@H]3C2)cc1 ZINC000449402730 429405799 /nfs/dbraw/zinc/40/57/99/429405799.db2.gz NDBMAXUSWHFTHN-HSALFYBXSA-N 2 0 312.457 2.833 20 0 DFADRP C[C@H]1C[C@H]([NH2+]CC2=CCOCC2)CC[N@@H+]1Cc1ccccc1 ZINC000449402330 429407447 /nfs/dbraw/zinc/40/74/47/429407447.db2.gz LEIREDLBDSCWJF-QFBILLFUSA-N 2 0 300.446 2.976 20 0 DFADRP C[C@H](Cc1ccoc1)[NH2+]C1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000449182870 429350921 /nfs/dbraw/zinc/35/09/21/429350921.db2.gz DCZMJIZFZQZQPV-FHLIZLRMSA-N 2 0 306.450 2.568 20 0 DFADRP CCC[NH+](CCC)CCCC(=O)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000449202649 429356567 /nfs/dbraw/zinc/35/65/67/429356567.db2.gz KKBIDTLBUUZOBZ-ROUUACIJSA-N 2 0 323.525 2.737 20 0 DFADRP CC1=C[C@H](C)C[C@H](C[N@@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@H](C)C2)C1 ZINC000365660285 429359144 /nfs/dbraw/zinc/35/91/44/429359144.db2.gz NUIHUUIYQPEIPT-OJAHFUOMSA-N 2 0 319.537 2.937 20 0 DFADRP CCCCN1CCCC[C@H]1C[NH2+]C1CCC(C(=O)OC)CC1 ZINC000426034521 429360366 /nfs/dbraw/zinc/36/03/66/429360366.db2.gz GCVIKOJTYFEVKB-JCYILVPMSA-N 2 0 310.482 2.962 20 0 DFADRP CC(C)[C@@H](C(=O)N[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1)[NH+](C)C ZINC000426218309 429374105 /nfs/dbraw/zinc/37/41/05/429374105.db2.gz WRSPUWDKGQDEFJ-JQHSSLGASA-N 2 0 317.477 2.524 20 0 DFADRP Cc1cc(C[N@@H+]2CCN(C3CC[NH+](C)CC3)[C@@H](C)C2)cs1 ZINC000449324163 429387620 /nfs/dbraw/zinc/38/76/20/429387620.db2.gz CWXNYEILORNATO-AWEZNQCLSA-N 2 0 307.507 2.657 20 0 DFADRP [NH2+]=C(NC[C@H]1CCC[N@@H+]1CCc1ccccc1)Nc1ccccn1 ZINC000365858463 429389719 /nfs/dbraw/zinc/38/97/19/429389719.db2.gz BRCVGPOESVJNLM-QGZVFWFLSA-N 2 0 323.444 2.725 20 0 DFADRP C[C@@H]1CCCC[N@@H+]1Cc1ccc(NC(=O)C[C@H]2CC[NH2+]C2)cc1 ZINC000427277872 429442838 /nfs/dbraw/zinc/44/28/38/429442838.db2.gz UEKKCVCDVJOAOV-NVXWUHKLSA-N 2 0 315.461 2.999 20 0 DFADRP C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)C[C@H]2CCC[NH2+]CC2)C1 ZINC000427299725 429444297 /nfs/dbraw/zinc/44/42/97/429444297.db2.gz PNKBYIMHJSRNNH-BBWFWOEESA-N 2 0 323.525 2.639 20 0 DFADRP Cc1ccccc1-n1cc(C[NH2+]C(C)(C)CCC[NH+](C)C)nn1 ZINC000449529789 429446752 /nfs/dbraw/zinc/44/67/52/429446752.db2.gz ZWJCFSLIOLUTPI-UHFFFAOYSA-N 2 0 315.465 2.786 20 0 DFADRP C[N@@H+]1CCC[C@@H](CC[NH2+][C@@H](c2nnc[nH]2)C2CCCCC2)C1 ZINC000519110499 429448716 /nfs/dbraw/zinc/44/87/16/429448716.db2.gz AGVKMLNWJKMJGI-GOEBONIOSA-N 2 0 305.470 2.748 20 0 DFADRP C[C@H](Cc1cnn(C)c1)[NH2+]C1CC[NH+]([C@@H]2CCCC[C@H]2C)CC1 ZINC000449582680 429455586 /nfs/dbraw/zinc/45/55/86/429455586.db2.gz GXHXVZUUOJSAOU-GPMSIDNRSA-N 2 0 318.509 2.984 20 0 DFADRP COc1cc2c(c(CN3CC[C@]4(CC[N@H+](C)C4)C3)c1)O[C@H](C)C2 ZINC000366535504 429471053 /nfs/dbraw/zinc/47/10/53/429471053.db2.gz ONNINJZBIDIDOD-KUHUBIRLSA-N 2 0 316.445 2.546 20 0 DFADRP CCC1(C[NH2+][C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)COC1 ZINC000449601385 429460143 /nfs/dbraw/zinc/46/01/43/429460143.db2.gz RJJIUQGBXYKEEO-GBESFXJTSA-N 2 0 314.473 2.913 20 0 DFADRP CCCC[N@H+](C)C[C@@H](C)NC(=O)c1ccccc1C[NH+](C)C ZINC000426773604 429415855 /nfs/dbraw/zinc/41/58/55/429415855.db2.gz PZIVBBYZEVKJPH-OAHLLOKOSA-N 2 0 305.466 2.598 20 0 DFADRP Cc1nccn1-c1ccc(CNc2nc(C)ncc2C)cc1F ZINC000518625745 429428902 /nfs/dbraw/zinc/42/89/02/429428902.db2.gz OXENSLFRTUVNOM-UHFFFAOYSA-N 2 0 311.364 3.339 20 0 DFADRP C[NH+](C)CC1(C(=O)N2CCC3(CCC[N@@H+]3C)CC2)CCCCC1 ZINC000427068867 429431329 /nfs/dbraw/zinc/43/13/29/429431329.db2.gz DXRYFKLPCOWCBG-UHFFFAOYSA-N 2 0 321.509 2.585 20 0 DFADRP CC1CCN(c2ccc(C[NH2+][C@H]3CCC[C@H]([NH3+])C3)cn2)CC1 ZINC000519613777 429471519 /nfs/dbraw/zinc/47/15/19/429471519.db2.gz NDTGYGSAISFFPW-IRXDYDNUSA-N 2 0 302.466 2.677 20 0 DFADRP Cn1cc(CN2CC[C@]3(CC[N@H+](C)C3)C2)c(-c2cccs2)n1 ZINC000366536501 429472316 /nfs/dbraw/zinc/47/23/16/429472316.db2.gz RPXYKBNJLNEDIM-KRWDZBQOSA-N 2 0 316.474 2.676 20 0 DFADRP C[C@H]1C[C@@H]([NH2+]C[C@@H]2CCC[C@H]2O)CCN1Cc1ccccc1 ZINC000449735217 429491196 /nfs/dbraw/zinc/49/11/96/429491196.db2.gz GHNNQRUDDRJQEW-DSLXNQLJSA-N 2 0 302.462 2.790 20 0 DFADRP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCC[C@H]2O)CCN1Cc1ccccc1 ZINC000449735220 429491565 /nfs/dbraw/zinc/49/15/65/429491565.db2.gz GHNNQRUDDRJQEW-XGXHKWSGSA-N 2 0 302.462 2.790 20 0 DFADRP C[C@H]([NH2+]C[C@H](O)C1CCC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000449738427 429493778 /nfs/dbraw/zinc/49/37/78/429493778.db2.gz BSGCKLKVMPGWCN-SNRMKQJTSA-N 2 0 302.462 2.648 20 0 DFADRP COc1cccc(N2CCC([NH2+]CC3=CC[N@H+](C)CC3)CC2)c1 ZINC000366690489 429494496 /nfs/dbraw/zinc/49/44/96/429494496.db2.gz AWFWNNOWQNJSMN-UHFFFAOYSA-N 2 0 315.461 2.516 20 0 DFADRP C[N@H+]1CC=C(C[NH2+][C@@H]2CN(Cc3ccccc3)C(C)(C)C2)CC1 ZINC000366692762 429495951 /nfs/dbraw/zinc/49/59/51/429495951.db2.gz DYQWFHCYQIQMSS-IBGZPJMESA-N 3 0 313.489 2.891 20 0 DFADRP [NH3+][C@@H]1CCC[C@H](C[NH2+]Cc2ccc(Cl)cc2-n2cncn2)C1 ZINC000520368432 429511934 /nfs/dbraw/zinc/51/19/34/429511934.db2.gz WLIDPUVELKHXKQ-SWLSCSKDSA-N 2 0 319.840 2.528 20 0 DFADRP CCC[N@@H+]1CC[C@H](C[NH2+][C@@H]2CCC[C@H](c3ccnn3C)C2)C1 ZINC000366794395 429516923 /nfs/dbraw/zinc/51/69/23/429516923.db2.gz ZPWSKGCRAWQASC-IXDOHACOSA-N 2 0 304.482 2.768 20 0 DFADRP CC(C)[N@@H+]1CCCN(C(=O)[C@@H]2CCCC[NH+]2C2CCCC2)CC1 ZINC000449844641 429523361 /nfs/dbraw/zinc/52/33/61/429523361.db2.gz XBUPYLZQIWPHSW-SFHVURJKSA-N 2 0 321.509 2.726 20 0 DFADRP CC(C)c1ccc([C@H]([NH3+])CNC(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)cc1 ZINC000428914605 429560560 /nfs/dbraw/zinc/56/05/60/429560560.db2.gz GAZMNYPZWJKPCV-RLFYNMQTSA-N 2 0 317.477 2.799 20 0 DFADRP C[C@H]1CN(c2cc[nH+]c3ccccc32)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000367061922 429569850 /nfs/dbraw/zinc/56/98/50/429569850.db2.gz ZBAOHYOZKQYHRJ-QFBILLFUSA-N 2 0 324.472 2.697 20 0 DFADRP C[C@H]1CN(C(=O)CC[NH+](C)C2CCCCC2)CC[N@@H+](C2CC2)C1 ZINC000521972471 429572487 /nfs/dbraw/zinc/57/24/87/429572487.db2.gz ZCQRYFPBJAEEHZ-MRXNPFEDSA-N 2 0 321.509 2.584 20 0 DFADRP C[C@H](c1ccccc1F)[N@@H+]1CCC[C@H](CN2CC[NH+](C)CC2)C1 ZINC000367108141 429578792 /nfs/dbraw/zinc/57/87/92/429578792.db2.gz CIRZHWMVYMXUSN-IAGOWNOFSA-N 2 0 319.468 2.846 20 0 DFADRP C[C@@H](c1ccccc1F)[N@@H+]1CCC[C@@H](CN2CC[NH+](C)CC2)C1 ZINC000367108142 429579774 /nfs/dbraw/zinc/57/97/74/429579774.db2.gz CIRZHWMVYMXUSN-IRXDYDNUSA-N 2 0 319.468 2.846 20 0 DFADRP CCC[N@H+](CC)Cc1ccc(C(=O)NC[C@H](C)C[NH2+]C)cc1 ZINC000429235121 429588760 /nfs/dbraw/zinc/58/87/60/429588760.db2.gz QHAXEUOQTYXONU-OAHLLOKOSA-N 2 0 305.466 2.504 20 0 DFADRP CC(C)[N@H+](C)CC1CC[NH+](CC(=O)N2[C@@H](C)CCC[C@@H]2C)CC1 ZINC000524156125 429620054 /nfs/dbraw/zinc/62/00/54/429620054.db2.gz KYTDKZNUHXXCNA-IRXDYDNUSA-N 2 0 323.525 2.828 20 0 DFADRP C[C@H](c1ccccc1)[C@@H](O)C[N@@H+]1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000450454372 429630201 /nfs/dbraw/zinc/63/02/01/429630201.db2.gz OHHYSLUWVRRBSK-POAQFYNOSA-N 2 0 316.489 2.815 20 0 DFADRP CC[NH+](CC)[C@@H](C(=O)NCC[N@@H+]1CC[C@H](C)C1)c1ccccc1 ZINC000524720214 429630668 /nfs/dbraw/zinc/63/06/68/429630668.db2.gz CVTZXTHGHTWIFC-FUHWJXTLSA-N 2 0 317.477 2.528 20 0 DFADRP CCc1cc(N(C)C2C[C@H]3CC[C@@H](C2)[N@H+]3CCOC)cc[nH+]1 ZINC000450545632 429645606 /nfs/dbraw/zinc/64/56/06/429645606.db2.gz ZNIICJUEBXUVBQ-JWTNVVGKSA-N 2 0 303.450 2.722 20 0 DFADRP CCc1ccc2[nH+]ccc(N3CC[N@H+](C[C@@H](C)O)[C@@H](C)C3)c2c1 ZINC000450314184 429597645 /nfs/dbraw/zinc/59/76/45/429597645.db2.gz TYBADJJRNUJTIP-LSDHHAIUSA-N 2 0 313.445 2.689 20 0 DFADRP CCC[C@@H](C(=O)Nc1ccc(OCC[NH+](C)C)c(C)c1)[NH+](C)C ZINC000458199268 429599336 /nfs/dbraw/zinc/59/93/36/429599336.db2.gz QQMAYXBOAZXYIE-INIZCTEOSA-N 2 0 321.465 2.604 20 0 DFADRP CC[N@H+](Cc1ccc(C(=O)NC(CC)(CC)C[NH3+])cc1)C1CC1 ZINC000429369127 429602788 /nfs/dbraw/zinc/60/27/88/429602788.db2.gz ZBCUIOBIQTVAQI-UHFFFAOYSA-N 2 0 317.477 2.918 20 0 DFADRP COC1(C[C@H](C)[NH2+]C2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)CCC1 ZINC000429419391 429608038 /nfs/dbraw/zinc/60/80/38/429608038.db2.gz QTPDJSKLVBVWEP-SZMVWBNQSA-N 2 0 324.509 2.692 20 0 DFADRP CC[N@H+](Cc1ccc(C(=O)NC2(C[NH3+])CCCC2)cc1)C1CC1 ZINC000429409170 429608107 /nfs/dbraw/zinc/60/81/07/429608107.db2.gz QXTQYODCCSTFTK-UHFFFAOYSA-N 2 0 315.461 2.672 20 0 DFADRP C[C@H](O)C[NH+]1CCC(C[N@H+](C)C[C@H]2CCCCC2(F)F)CC1 ZINC000450362507 429610384 /nfs/dbraw/zinc/61/03/84/429610384.db2.gz GHWXHIDMIVAGLA-GOEBONIOSA-N 2 0 318.452 2.837 20 0 DFADRP OC[C@H](CC(F)F)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000429474498 429611502 /nfs/dbraw/zinc/61/15/02/429611502.db2.gz YRQYULMNBZSUDN-YNBOMUFVSA-N 2 0 324.415 2.788 20 0 DFADRP C[N@@H+]1CCCC[C@@H]1CN1CC[NH+](CCC2=CCCCC2)CC1 ZINC000450388739 429613877 /nfs/dbraw/zinc/61/38/77/429613877.db2.gz JEATUSFGRVYNGT-LJQANCHMSA-N 2 0 305.510 2.979 20 0 DFADRP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@@H+]2C[C@H]1CCCCC1(F)F ZINC000450598604 429659254 /nfs/dbraw/zinc/65/92/54/429659254.db2.gz JQAACYVRXLWARL-KLHDSHLOSA-N 2 0 316.436 2.995 20 0 DFADRP CCC[NH+]1CCC([NH2+]C2CCN(CCC(F)(F)F)CC2)CC1 ZINC000356842468 276004656 /nfs/dbraw/zinc/00/46/56/276004656.db2.gz GPDHDIFDQZXXAY-UHFFFAOYSA-N 2 0 321.431 2.867 20 0 DFADRP Cc1ccc2c(C)cc(NC[C@H]3CCC[N@@H+]3CCCO)nc2c1 ZINC000450588491 429653527 /nfs/dbraw/zinc/65/35/27/429653527.db2.gz BLCKWNWCSGPUIE-MRXNPFEDSA-N 2 0 313.445 3.110 20 0 DFADRP C[C@H](c1ccccc1)[C@@H](O)C[N@@H+]1CC[C@@H](C)[C@@H](n2ccnc2)C1 ZINC000450590051 429653865 /nfs/dbraw/zinc/65/38/65/429653865.db2.gz HTGUUKSVQQCDCA-FPAYPSAMSA-N 2 0 313.445 2.931 20 0 DFADRP CC(C)c1ccc([C@@H](C)[NH+]2CCN([C@@H]3CC[NH2+]C3)CC2)cc1 ZINC000262515392 276055941 /nfs/dbraw/zinc/05/59/41/276055941.db2.gz NKYFGOJTDIKDLD-VQIMIIECSA-N 2 0 301.478 2.851 20 0 DFADRP CC(C)c1ccc([C@@H](C)[NH+]2CCN([C@H]3CC[NH2+]C3)CC2)cc1 ZINC000262515386 276055945 /nfs/dbraw/zinc/05/59/45/276055945.db2.gz NKYFGOJTDIKDLD-APWZRJJASA-N 2 0 301.478 2.851 20 0 DFADRP CC[N@H+](C)Cc1cccc(CNC(=O)C[C@H]2CCCC[C@H]2[NH3+])c1 ZINC000295958561 276075384 /nfs/dbraw/zinc/07/53/84/276075384.db2.gz HQRKRNMWDDKUJZ-QZTJIDSGSA-N 2 0 317.477 2.662 20 0 DFADRP CC1(C)CCC[C@@H]([NH2+]CC(=O)NCC[NH+]2CCCCCC2)C1 ZINC000353667285 276107930 /nfs/dbraw/zinc/10/79/30/276107930.db2.gz CAYJMCQPHBKKBI-MRXNPFEDSA-N 2 0 309.498 2.537 20 0 DFADRP CC[NH+](CC)[C@H](C)CN[C@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000355284039 276118262 /nfs/dbraw/zinc/11/82/62/276118262.db2.gz RBROFIBRQJZQBK-SCTDSRPQSA-N 2 0 303.494 2.969 20 0 DFADRP CC[NH+]1CCN([C@@H](C)C[NH2+][C@H]2CCCc3sccc32)CC1 ZINC000155693451 276197005 /nfs/dbraw/zinc/19/70/05/276197005.db2.gz SDKQBVFHDIWDON-HOCLYGCPSA-N 2 0 307.507 2.741 20 0 DFADRP CC[NH+]1CCN([C@H]2CC[N@@H+]([C@@H]3CCc4ccc(F)cc43)C2)CC1 ZINC000177026202 276201469 /nfs/dbraw/zinc/20/14/69/276201469.db2.gz XJNNYXLWTGPBCF-PKOBYXMFSA-N 2 0 317.452 2.525 20 0 DFADRP Cc1cnn(CCCCC[N@@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3C)c1 ZINC000367604086 429683354 /nfs/dbraw/zinc/68/33/54/429683354.db2.gz REEQIRLZKSOCAD-JWTNVVGKSA-N 2 0 304.482 2.919 20 0 DFADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@H]2COC3(CCC(C)CC3)O2)[C@H](C)C1 ZINC000245558917 276229874 /nfs/dbraw/zinc/22/98/74/276229874.db2.gz HIYPJTFJUOXKLO-FQBRJNOBSA-N 2 0 310.482 2.628 20 0 DFADRP Cc1c(F)cccc1NC(=O)CC[N@H+]1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000430552732 429689667 /nfs/dbraw/zinc/68/96/67/429689667.db2.gz KOEGACFXGPYZCM-KBPBESRZSA-N 2 0 307.413 2.522 20 0 DFADRP Cc1cccc(-c2noc(CN3CCC[C@H]([C@@H](C)[NH3+])C3)n2)c1 ZINC000430545196 429689974 /nfs/dbraw/zinc/68/99/74/429689974.db2.gz HMLOOOVEJIFINV-HIFRSBDPSA-N 2 0 300.406 2.604 20 0 DFADRP C[C@](C[NH3+])([NH2+]CCOc1ccc(OC(F)(F)F)cc1)C1CC1 ZINC000430553487 429689989 /nfs/dbraw/zinc/68/99/89/429689989.db2.gz TVOPTZSYROKMBY-CQSZACIVSA-N 2 0 318.339 2.681 20 0 DFADRP COc1cccc(O[C@H](C)C[NH2+][C@@H]2CC[N@H+](C)[C@H]3CCC[C@H]32)c1 ZINC000367606542 429684839 /nfs/dbraw/zinc/68/48/39/429684839.db2.gz KATHSVPRGHYXMV-FDPIWHGQSA-N 2 0 318.461 2.925 20 0 DFADRP c1[nH]nc2c1[C@@H]([NH2+]CCCN1CCc3ccccc3C1)CCC2 ZINC000367619726 429687261 /nfs/dbraw/zinc/68/72/61/429687261.db2.gz PPIRFRXBGDFCHV-SFHVURJKSA-N 2 0 310.445 2.825 20 0 DFADRP CC[NH2+]CC1CC[NH+]([C@H](C)C(=O)N[C@@H]2CCC[C@H](C)[C@@H]2C)CC1 ZINC000430570588 429694107 /nfs/dbraw/zinc/69/41/07/429694107.db2.gz ZDTYMTORZMQAMM-LISAXSMJSA-N 2 0 323.525 2.637 20 0 DFADRP CC[NH+](CC)[C@H](CN[C@H]1CC[N@H+](CC)C[C@H]1C)c1ccco1 ZINC000246936790 276340613 /nfs/dbraw/zinc/34/06/13/276340613.db2.gz HKJAGIGKZUXYTG-IXDOHACOSA-N 2 0 307.482 2.982 20 0 DFADRP CC[N@H+](CCC1CC[NH+]([C@H]2CCCCNC2=O)CC1)CC(C)C ZINC000358739076 276343023 /nfs/dbraw/zinc/34/30/23/276343023.db2.gz DXJMWOXDEAUACE-SFHVURJKSA-N 2 0 323.525 2.735 20 0 DFADRP C[C@@H]1CCC[C@H](C[NH+]2CCC(C[NH+]3CCN(C)CC3)CC2)C1 ZINC000367671529 429696456 /nfs/dbraw/zinc/69/64/56/429696456.db2.gz PPYQJHUJKFFSLU-MJGOQNOKSA-N 2 0 307.526 2.772 20 0 DFADRP C[NH2+]C[C@H]1CCC[N@H+](CCCc2nc(-c3ccccc3)no2)C1 ZINC000430629743 429702756 /nfs/dbraw/zinc/70/27/56/429702756.db2.gz QTYNHQYKPFYCKC-OAHLLOKOSA-N 2 0 314.433 2.601 20 0 DFADRP Cc1cc(N2C[C@@H](C)[N@H+](CCO)[C@@H](C)C2)c2cc(F)ccc2[nH+]1 ZINC000450800738 429703100 /nfs/dbraw/zinc/70/31/00/429703100.db2.gz ZNCSGAKHSUUMJV-OKILXGFUSA-N 2 0 317.408 2.574 20 0 DFADRP [NH3+]C[C@H]1CCC[N@H+](CCc2nc(-c3cccc(Cl)c3)no2)C1 ZINC000430625593 429703752 /nfs/dbraw/zinc/70/37/52/429703752.db2.gz QOHQHXVGAGSUDT-GFCCVEGCSA-N 2 0 320.824 2.603 20 0 DFADRP [NH3+]CC1CC[NH+](Cc2ccc(OCc3cccnc3)cc2)CC1 ZINC000430641437 429704757 /nfs/dbraw/zinc/70/47/57/429704757.db2.gz TUIDYXQEMCFGEG-UHFFFAOYSA-N 2 0 311.429 2.831 20 0 DFADRP [NH3+]C[C@H]1CCC[N@H+](CCOc2ccc(C(F)(F)F)cc2)C1 ZINC000430642126 429704931 /nfs/dbraw/zinc/70/49/31/429704931.db2.gz UWICKAHYCRQULT-GFCCVEGCSA-N 2 0 302.340 2.755 20 0 DFADRP Cc1cc(C[N@H+]2CCC[C@H](CN3CC[NH+](C)CC3)C2)ccc1F ZINC000367724143 429707613 /nfs/dbraw/zinc/70/76/13/429707613.db2.gz WBIMGPFAPPJPQD-GOSISDBHSA-N 2 0 319.468 2.594 20 0 DFADRP C[N@H+](C[C@@H](O)c1ccc(Cl)cc1)C[C@@H]1CCn2ccnc2C1 ZINC000367721461 429707706 /nfs/dbraw/zinc/70/77/06/429707706.db2.gz OHYXSDMXZWPFPW-CZUORRHYSA-N 2 0 319.836 2.764 20 0 DFADRP C[N@H+](CCOC1CCC1)[C@@H]1CCC[NH+](CCOC2CCC2)CC1 ZINC000367736167 429708827 /nfs/dbraw/zinc/70/88/27/429708827.db2.gz CQLBKJDEZIRLQO-QGZVFWFLSA-N 2 0 324.509 2.911 20 0 DFADRP C[C@H](CNC(=O)[C@H]1CCCCCC[C@H]1[NH3+])[N@@H+]1CCCC[C@H]1C ZINC000430758725 429714702 /nfs/dbraw/zinc/71/47/02/429714702.db2.gz DGGGSFQNPRKMEH-WCXIOVBPSA-N 2 0 309.498 2.663 20 0 DFADRP CC(C)n1ccnc1CN1CCC[N@H+](CC[C@H]2CCCO2)CC1 ZINC000527047558 429719437 /nfs/dbraw/zinc/71/94/37/429719437.db2.gz SOJLAKXELMPJCM-QGZVFWFLSA-N 2 0 320.481 2.541 20 0 DFADRP C[C@H](C(=O)NCC[NH+]1[C@H](C)CCC[C@H]1C)[C@H]([NH3+])c1ccccc1 ZINC000430894315 429721153 /nfs/dbraw/zinc/72/11/53/429721153.db2.gz MKVWXEHDEHSVGE-CBZIJGRNSA-N 2 0 317.477 2.702 20 0 DFADRP C[NH2+]CC1CC[NH+](Cc2ncc(-c3ccc(OC)cc3)o2)CC1 ZINC000430922750 429724720 /nfs/dbraw/zinc/72/47/20/429724720.db2.gz AHXFQSYJDSQSSX-UHFFFAOYSA-N 2 0 315.417 2.782 20 0 DFADRP C[C@H]1C[N@H+](CCOc2ccc(OC(F)(F)F)cc2)CC[C@@H]1[NH3+] ZINC000430947990 429727448 /nfs/dbraw/zinc/72/74/48/429727448.db2.gz GRFWCUVEUAPMIL-FZMZJTMJSA-N 2 0 318.339 2.633 20 0 DFADRP C[C@H]1C[N@H+](CCOc2ccc(OC(F)(F)F)cc2)CC[C@H]1[NH3+] ZINC000430947992 429727908 /nfs/dbraw/zinc/72/79/08/429727908.db2.gz GRFWCUVEUAPMIL-SMDDNHRTSA-N 2 0 318.339 2.633 20 0 DFADRP C[C@@H]([NH3+])C1CC[NH+]([C@@H]2CCN(c3cccc(Cl)c3)C2=O)CC1 ZINC000430959107 429728717 /nfs/dbraw/zinc/72/87/17/429728717.db2.gz WJDKFUNRFGOLIC-MLGOLLRUSA-N 2 0 321.852 2.505 20 0 DFADRP C[C@H]([NH3+])C1CC[NH+](CC(=O)N[C@@H](C)c2ccc(Cl)cc2)CC1 ZINC000430966948 429731748 /nfs/dbraw/zinc/73/17/48/429731748.db2.gz QHKPFFBEUMVGFL-STQMWFEESA-N 2 0 323.868 2.576 20 0 DFADRP Cc1ccccc1[C@@H]1CC[N@H+](Cc2nc(C(C)(C)[NH3+])no2)C1 ZINC000431087168 429742875 /nfs/dbraw/zinc/74/28/75/429742875.db2.gz VMSYBRLOWZRNHQ-CYBMUJFWSA-N 2 0 300.406 2.561 20 0 DFADRP C[C@H]1C[N@@H+]2CCCC[C@@H]2CN1Cc1cncn1Cc1ccccc1 ZINC000527324964 429743472 /nfs/dbraw/zinc/74/34/72/429743472.db2.gz STBLZNLIDRMJQG-PKOBYXMFSA-N 2 0 324.472 2.990 20 0 DFADRP C[C@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1cncn1Cc1ccccc1 ZINC000527324972 429743959 /nfs/dbraw/zinc/74/39/59/429743959.db2.gz UVAKJRMPRDGYSZ-FUHWJXTLSA-N 2 0 310.445 2.600 20 0 DFADRP CC1CCC(O)(C[N@@H+]2CC[C@H](n3cnc4c3CCCC4)C2)CC1 ZINC000432074594 429798506 /nfs/dbraw/zinc/79/85/06/429798506.db2.gz CCUJDZWEUYXHSK-WUJZJPHMSA-N 2 0 317.477 2.950 20 0 DFADRP Cc1nc2c(n1[C@@H]1CC[NH+](CC[C@H]3CCC[N@H+]3C)C1)CCCC2 ZINC000432078721 429798776 /nfs/dbraw/zinc/79/87/76/429798776.db2.gz RHPKPFITLBIMMJ-IAGOWNOFSA-N 2 0 316.493 2.801 20 0 DFADRP CN(CC1([NH+](C)C)CCC1)C(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC000451001709 429748246 /nfs/dbraw/zinc/74/82/46/429748246.db2.gz AOGNPCDBUDLHPM-QGZVFWFLSA-N 2 0 321.509 2.726 20 0 DFADRP C[NH+](C)CCOc1cccc(C[NH2+]C/C=C\c2ccncc2)c1 ZINC000486969194 429757216 /nfs/dbraw/zinc/75/72/16/429757216.db2.gz PUGAMMKAUIAPSG-XQRVVYSFSA-N 2 0 311.429 2.825 20 0 DFADRP Cc1ccncc1CCC[N@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@@H]21 ZINC000368025956 429770401 /nfs/dbraw/zinc/77/04/01/429770401.db2.gz YTLOXFHJKOXOIX-CEXWTWQISA-N 2 0 317.477 2.506 20 0 DFADRP CC(C)[NH+]1CCC(NC(=O)C[C@@H](c2ccccc2)[NH+](C)C)CC1 ZINC000431623490 429773502 /nfs/dbraw/zinc/77/35/02/429773502.db2.gz SSFWKZWYQFUCPC-SFHVURJKSA-N 2 0 317.477 2.668 20 0 DFADRP C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)CC[C@H]2CCCC[NH+]2C)C1 ZINC000431718455 429779244 /nfs/dbraw/zinc/77/92/44/429779244.db2.gz DATJMILZPSBFJN-DLBZAZTESA-N 2 0 323.525 2.878 20 0 DFADRP C[NH+]1CCN(CCC(C)(C)[NH2+]Cc2ccc3cc[nH]c3c2)CC1 ZINC000527692423 429779843 /nfs/dbraw/zinc/77/98/43/429779843.db2.gz ORPCKYKDVWXYEB-UHFFFAOYSA-N 2 0 314.477 2.674 20 0 DFADRP C[C@H](C[NH+]1CCCCC1)NC(=O)C[C@H](c1ccccc1)[NH+](C)C ZINC000431914001 429789591 /nfs/dbraw/zinc/78/95/91/429789591.db2.gz PBPKFIOVKPENNX-SJLPKXTDSA-N 2 0 317.477 2.670 20 0 DFADRP C[C@@H]1C[N@H+](CCC[NH2+]C[C@H]2C[C@H]2c2ccccc2)CCCO1 ZINC000432346353 429815803 /nfs/dbraw/zinc/81/58/03/429815803.db2.gz LGQDKPXZUDRSST-QRQLOZEOSA-N 2 0 302.462 2.881 20 0 DFADRP C[C@@H]1C[N@H+](CCC[NH2+]Cc2cc3ccc(F)cc3[nH]2)CCCO1 ZINC000432348292 429816788 /nfs/dbraw/zinc/81/67/88/429816788.db2.gz QJMBOEJIFXOWGY-CQSZACIVSA-N 2 0 319.424 2.898 20 0 DFADRP CCCc1csc(C[NH2+]CCCCN2CC[NH+](CC)CC2)n1 ZINC000494356588 429868545 /nfs/dbraw/zinc/86/85/45/429868545.db2.gz LFUANPNPVNDUMA-UHFFFAOYSA-N 2 0 324.538 2.603 20 0 DFADRP OC1CC(CC[NH2+][C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)C1 ZINC000432427590 429823836 /nfs/dbraw/zinc/82/38/36/429823836.db2.gz ZRIKDVOSAJIWDT-KPZODNFCSA-N 2 0 314.473 2.648 20 0 DFADRP CC(C)[C@@H](Cn1cccn1)[NH2+]C[C@@H]1CCN1C1CCCCC1 ZINC000527948996 429827284 /nfs/dbraw/zinc/82/72/84/429827284.db2.gz NPNDYJDNOAVZSD-ZWKOTPCHSA-N 2 0 304.482 2.904 20 0 DFADRP CCO[C@@]1(C)C[C@H]1[NH2+][C@@H](C)c1cccc(OCC[NH+](C)C)c1 ZINC000527973143 429829750 /nfs/dbraw/zinc/82/97/50/429829750.db2.gz FTDFRFPHLWYHFV-QGTPRVQTSA-N 2 0 306.450 2.845 20 0 DFADRP C[C@H](C[C@H](C)[NH2+][C@H](C)CC[NH+](C)C)NC(=O)OC(C)(C)C ZINC000494362240 429868809 /nfs/dbraw/zinc/86/88/09/429868809.db2.gz GNBAPWCYRHLRGZ-HZSPNIEDSA-N 2 0 301.475 2.608 20 0 DFADRP CC(C)c1cccc(NC(=[NH2+])NC[C@@H]2CN(C3CC3)CCO2)c1 ZINC000368355066 429836801 /nfs/dbraw/zinc/83/68/01/429836801.db2.gz NBKBFXQSUABIQR-QGZVFWFLSA-N 2 0 316.449 2.609 20 0 DFADRP CC(C)[C@@H](O)C[N@@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000432826501 429843423 /nfs/dbraw/zinc/84/34/23/429843423.db2.gz ZAHZLICXHPMOSM-VQTJNVASSA-N 2 0 316.489 2.991 20 0 DFADRP CS[C@H]1CN(c2cc[nH+]cc2-c2cccnc2)C[C@@H]1[NH+](C)C ZINC000368543112 429864063 /nfs/dbraw/zinc/86/40/63/429864063.db2.gz GBYSTQZHHGYIDI-IRXDYDNUSA-N 2 0 314.458 2.625 20 0 DFADRP CC[N@@H+]1CC[C@H](C[NH2+][C@H](C)C[C@@H](C)NC(=O)OC(C)(C)C)C1 ZINC000494555960 429880439 /nfs/dbraw/zinc/88/04/39/429880439.db2.gz SMMGORSVYHGWNK-RBSFLKMASA-N 2 0 313.486 2.610 20 0 DFADRP O=c1cc(C[N@@H+]2CC[C@@]3(CC[NH+](Cc4ccccc4)C3)C2)cc[nH]1 ZINC000639641214 429928411 /nfs/dbraw/zinc/92/84/11/429928411.db2.gz IHEAIBDZKLVEOJ-HXUWFJFHSA-N 2 0 323.440 2.885 20 0 DFADRP CO[C@H](CN1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1)c1ccc(F)cc1 ZINC000528408376 429886103 /nfs/dbraw/zinc/88/61/03/429886103.db2.gz UQACDEIELRBHCE-RYQLBKOJSA-N 2 0 306.425 2.929 20 0 DFADRP C[C@H]1CC[N@H+](Cc2cc(CO)ccc2F)C[C@H]1n1ccnc1 ZINC000528422906 429886723 /nfs/dbraw/zinc/88/67/23/429886723.db2.gz GAGQEBYTQQJRNA-SUMWQHHRSA-N 2 0 303.381 2.598 20 0 DFADRP C[C@H]1CC[N@H+](Cc2cc(CO)ccc2F)C[C@@H]1n1ccnc1 ZINC000528422905 429886905 /nfs/dbraw/zinc/88/69/05/429886905.db2.gz GAGQEBYTQQJRNA-GUYCJALGSA-N 2 0 303.381 2.598 20 0 DFADRP Cc1cccc2c1[nH+]cc(C)c2N1CCC[N@@H+]([C@@H](C)CO)CC1 ZINC000368965734 429904441 /nfs/dbraw/zinc/90/44/41/429904441.db2.gz VRJANERNWGUMIP-INIZCTEOSA-N 2 0 313.445 2.745 20 0 DFADRP CC[N@@H+]1CCCC[C@H]1C(=O)N1CCC[C@@H](C[NH+]2CCCCC2)C1 ZINC000369021050 429907946 /nfs/dbraw/zinc/90/79/46/429907946.db2.gz GXFAIHFYTGZEQA-ROUUACIJSA-N 2 0 321.509 2.585 20 0 DFADRP CCC[NH+]1CCN(C2CC[NH+](Cc3cccc(F)c3)CC2)CC1 ZINC000369157633 429917103 /nfs/dbraw/zinc/91/71/03/429917103.db2.gz TYQDNRQEBLILTJ-UHFFFAOYSA-N 2 0 319.468 2.818 20 0 DFADRP C[C@@H]1C[C@H]1c1ccc(C[NH2+][C@H]2CCN(C3CC[NH+](C)CC3)C2)o1 ZINC000369278306 429922170 /nfs/dbraw/zinc/92/21/70/429922170.db2.gz QFWZBEZDQSFKPM-RVKKMQEKSA-N 2 0 317.477 2.661 20 0 DFADRP C[C@@H](CC(=O)Nc1cccc(F)c1)[NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000556953038 429924418 /nfs/dbraw/zinc/92/44/18/429924418.db2.gz OXWYSMHGHCYDGG-AFAVFJNCSA-N 2 0 319.424 2.521 20 0 DFADRP O=c1cc(C[N@@H+]2CC[C@]3(CC[NH+](Cc4ccccc4)C3)C2)cc[nH]1 ZINC000639641213 429927098 /nfs/dbraw/zinc/92/70/98/429927098.db2.gz IHEAIBDZKLVEOJ-FQEVSTJZSA-N 2 0 323.440 2.885 20 0 DFADRP CC(C)[N@H+](C)CC1CCN(C(=O)Nc2ccc(C[NH3+])cc2)CC1 ZINC000573461318 429954725 /nfs/dbraw/zinc/95/47/25/429954725.db2.gz JRROBCURNCDMRX-UHFFFAOYSA-N 2 0 318.465 2.729 20 0 DFADRP CC1CCC([NH2+]Cc2ccc(N3CC[NH+](C)CC3)nc2)CC1 ZINC000557783257 429955056 /nfs/dbraw/zinc/95/50/56/429955056.db2.gz UJRWTFJLIOVPME-UHFFFAOYSA-N 2 0 302.466 2.502 20 0 DFADRP C[N@H+](CCN1CC[NH+](C)[C@@H](C(C)(C)C)C1)Cc1ccc(F)cc1 ZINC000639745942 429965556 /nfs/dbraw/zinc/96/55/56/429965556.db2.gz VWXXHJDZSJRYSV-GOSISDBHSA-N 2 0 321.484 2.920 20 0 DFADRP C[NH+](C)[C@@H](CNC(=O)CC[C@@H]1CCCC[N@@H+]1C)c1ccccc1 ZINC000558348676 429967301 /nfs/dbraw/zinc/96/73/01/429967301.db2.gz CMJKTDNYNVWJEK-ROUUACIJSA-N 2 0 317.477 2.670 20 0 DFADRP C[NH+](C)C[C@@]1(O)CCC[N@H+](CC2CCC(C(F)(F)F)CC2)C1 ZINC000639761343 429972776 /nfs/dbraw/zinc/97/27/76/429972776.db2.gz ASHYOKREOHQUBZ-NRXISQOPSA-N 2 0 322.415 2.744 20 0 DFADRP CC[C@@H]1CCCCN1C(=O)[C@@H](C)[N@@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC000639761596 429973382 /nfs/dbraw/zinc/97/33/82/429973382.db2.gz GQJHAXUIIPATFJ-IAGOWNOFSA-N 2 0 321.509 2.584 20 0 DFADRP CN1CC[NH+](CCCC[NH2+][C@H]2CS[C@@H](C(C)(C)C)C2)CC1 ZINC000573776928 429981669 /nfs/dbraw/zinc/98/16/69/429981669.db2.gz CQMFDTDVFNVAPY-HZPDHXFCSA-N 2 0 313.555 2.524 20 0 DFADRP O=C(NC1CC[NH+](C2CC2)CC1)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC000369365434 429930928 /nfs/dbraw/zinc/93/09/28/429930928.db2.gz BMDKTAWMTYJVSO-SFHVURJKSA-N 2 0 319.493 2.527 20 0 DFADRP CCc1[nH+]c2ccccc2c(N2CCN3CCOC[C@@H]3C2)c1C ZINC000557470677 429941476 /nfs/dbraw/zinc/94/14/76/429941476.db2.gz XHWDCDXNCBMXPC-HNNXBMFYSA-N 2 0 311.429 2.626 20 0 DFADRP FC(F)(F)COCCC[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000573333251 429945477 /nfs/dbraw/zinc/94/54/77/429945477.db2.gz SBYCGPCEFJWAHK-UHFFFAOYSA-N 2 0 317.355 2.609 20 0 DFADRP [NH3+][C@@H]1CCC[C@@H]([NH2+]CCc2ccc(OC(F)(F)F)cc2)C1 ZINC000574338982 430033684 /nfs/dbraw/zinc/03/36/84/430033684.db2.gz ISYZLQAWKRCIQV-CHWSQXEVSA-N 2 0 302.340 2.987 20 0 DFADRP CSC[C@@H](O)C[NH2+]Cc1ccccc1C[N@@H+]1CCCC[C@@H]1C ZINC000574444305 430042791 /nfs/dbraw/zinc/04/27/91/430042791.db2.gz XDWJKTMMIKGKOW-YJBOKZPZSA-N 2 0 322.518 2.875 20 0 DFADRP CCC1([NH+]2CCCC2)CCN(CCCC(=O)NCC(C)C)CC1 ZINC000639986592 430047038 /nfs/dbraw/zinc/04/70/38/430047038.db2.gz PCNQZOTZSGIMRR-UHFFFAOYSA-N 2 0 323.525 2.879 20 0 DFADRP CC[N@@H+]1CC[C@H]([NH2+][C@H]2CCN(Cc3ccc(C)cc3)C2)[C@H](C)C1 ZINC000631748957 429989831 /nfs/dbraw/zinc/98/98/31/429989831.db2.gz MCONTTGQWRRCND-HOJAQTOUSA-N 2 0 315.505 2.889 20 0 DFADRP CC[N@H+](CCCn1ccnc1C)[C@H]1CCN(CC(F)(F)F)C1 ZINC000639821609 429992191 /nfs/dbraw/zinc/99/21/91/429992191.db2.gz VFWZWVZYTIHCTE-AWEZNQCLSA-N 2 0 318.387 2.540 20 0 DFADRP Cc1cc(C)cc(OC[C@@H](O)C[NH2+][C@H](C)C(C)(C)C[NH+](C)C)c1 ZINC000573913793 429994708 /nfs/dbraw/zinc/99/47/08/429994708.db2.gz MUJSHIKFDSIDKM-SJORKVTESA-N 2 0 322.493 2.609 20 0 DFADRP c1nnc([C@H]([NH2+]CC2CC[NH+](C3CC3)CC2)C2CCCCC2)[nH]1 ZINC000559111669 429998963 /nfs/dbraw/zinc/99/89/63/429998963.db2.gz HHAZNYMFPJQSSZ-QGZVFWFLSA-N 2 0 317.481 2.890 20 0 DFADRP CCC[N@@H+]1CC[C@@H](C[NH2+]CCC(=O)Nc2cccc(F)c2C)C1 ZINC000574032835 430004311 /nfs/dbraw/zinc/00/43/11/430004311.db2.gz YHPXPXVIRFSMGO-HNNXBMFYSA-N 2 0 321.440 2.784 20 0 DFADRP CC[C@@H]1C[NH+](CCCC[N@@H+]2CCCO[C@@H](CC)C2)CCCO1 ZINC000559702153 430011565 /nfs/dbraw/zinc/01/15/65/430011565.db2.gz JDAMZFMUUTYQGY-HDICACEKSA-N 2 0 312.498 2.768 20 0 DFADRP c1cc2ccc(C[NH+]3CCC(C[NH+]4CCOCC4)CC3)cc2[nH]1 ZINC000529522835 430019309 /nfs/dbraw/zinc/01/93/09/430019309.db2.gz HFPVHNFKOHLMGP-UHFFFAOYSA-N 2 0 313.445 2.712 20 0 DFADRP CC(C)c1ncc(C[N@H+](C)CCCN(C)CC[NH+](C)C)s1 ZINC000574200526 430020723 /nfs/dbraw/zinc/02/07/23/430020723.db2.gz CFPLTPGYURDDOG-UHFFFAOYSA-N 2 0 312.527 2.582 20 0 DFADRP CC1(C)C[NH2+]CC[C@H](N[C@H]2CC[NH2+][C@@H](c3ccccc3)C2)C1 ZINC000634734073 430093503 /nfs/dbraw/zinc/09/35/03/430093503.db2.gz WECLZCAXNMWFEO-OKZBNKHCSA-N 3 0 301.478 2.848 20 0 DFADRP COCCOc1ccccc1C[NH2+][C@H]1CC[NH2+]CC(C)(C)C1 ZINC000634732835 430093687 /nfs/dbraw/zinc/09/36/87/430093687.db2.gz PZMOGAQWVKTVPB-INIZCTEOSA-N 2 0 306.450 2.580 20 0 DFADRP CC1(C)C[NH2+]CC[C@H]([NH2+]Cc2ccnn2-c2ccc(F)cc2)C1 ZINC000634733245 430094207 /nfs/dbraw/zinc/09/42/07/430094207.db2.gz AVORNWOMHNNPLS-HNNXBMFYSA-N 2 0 316.424 2.879 20 0 DFADRP C[C@]12C[NH2+]C[C@@]1(C)CN(C(=O)CC[C@H]([NH3+])CC1CCCCC1)C2 ZINC000634742246 430098630 /nfs/dbraw/zinc/09/86/30/430098630.db2.gz FGQRGOIQCNTQJQ-YTQUADARSA-N 2 0 321.509 2.522 20 0 DFADRP C([NH2+][C@@H]1CCOC[C@H]1[C@@H]1CCC[NH2+]1)C(C1CCC1)C1CCC1 ZINC000530211003 430103651 /nfs/dbraw/zinc/10/36/51/430103651.db2.gz KXEWTVXJDMXKPX-GBESFXJTSA-N 2 0 306.494 2.950 20 0 DFADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1N[C@@H]1CC[NH2+]C12CCC2 ZINC000530221382 430105777 /nfs/dbraw/zinc/10/57/77/430105777.db2.gz PYFLITYSXUTGNR-BHIYHBOVSA-N 2 0 313.489 2.771 20 0 DFADRP CO[C@@H](C[NH+]1CCC([C@@H]2CCC[NH2+]2)CC1)c1ccc(F)cc1 ZINC000530222410 430105904 /nfs/dbraw/zinc/10/59/04/430105904.db2.gz MVLUISZRAXJUME-ROUUACIJSA-N 2 0 306.425 2.977 20 0 DFADRP Cc1cnc(C)nc1NC[C@H](c1ccccc1Cl)[NH+](C)C ZINC000576511115 430107022 /nfs/dbraw/zinc/10/70/22/430107022.db2.gz RIFHULMTWFRVHG-OAHLLOKOSA-N 2 0 304.825 3.462 20 0 DFADRP COc1ccc(CC[C@@H](C)[NH2+][C@H]2CC[NH2+]C23CCC3)cc1O ZINC000530243323 430108045 /nfs/dbraw/zinc/10/80/45/430108045.db2.gz HLTZNUMZOFKKOA-DYVFJYSZSA-N 2 0 304.434 2.596 20 0 DFADRP COCC1([NH2+]C2CC[NH+](C3CCCCC3)CC2)CCOCC1 ZINC000560556914 430055295 /nfs/dbraw/zinc/05/52/95/430055295.db2.gz HSHPJPPLQICLKU-UHFFFAOYSA-N 2 0 310.482 2.569 20 0 DFADRP CCCN1CCC[C@H]1C[NH2+][C@H]1CCC[C@@H](c2ccnn2C)C1 ZINC000560583453 430056551 /nfs/dbraw/zinc/05/65/51/430056551.db2.gz YHWMLOPSDHAVDZ-IKGGRYGDSA-N 2 0 304.482 2.910 20 0 DFADRP C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)CCCC[NH+](C)C)C1 ZINC000560598034 430056918 /nfs/dbraw/zinc/05/69/18/430056918.db2.gz QCTNXSTYURCRFY-AEFFLSMTSA-N 2 0 317.477 2.670 20 0 DFADRP CN(C(=O)CN1CCC(Nc2ccccn2)CC1)c1ccccc1 ZINC000535574555 430163426 /nfs/dbraw/zinc/16/34/26/430163426.db2.gz ATFGXCLNGCNUSP-UHFFFAOYSA-N 2 0 324.428 2.621 20 0 DFADRP CCCC[N@H+](C)CC1CC[NH+]([C@@H](C)C(C)(C)n2cncn2)CC1 ZINC000637906191 430167719 /nfs/dbraw/zinc/16/77/19/430167719.db2.gz RJMCXDJRSBBEET-INIZCTEOSA-N 2 0 321.513 2.846 20 0 DFADRP COc1cccc2c1C[C@H]([NH2+]C1CC[NH+](CC3CC3)CC1)C2 ZINC000581057642 430173587 /nfs/dbraw/zinc/17/35/87/430173587.db2.gz ZFMFZMBVQJRBEO-QGZVFWFLSA-N 2 0 300.446 2.626 20 0 DFADRP CC[NH2+]Cc1cccc(NC(=O)C23CCC[NH+](CCC2)C3)c1 ZINC000637808309 430135798 /nfs/dbraw/zinc/13/57/98/430135798.db2.gz BGXPWWWURZMJFS-UHFFFAOYSA-N 2 0 301.434 2.611 20 0 DFADRP O[C@H](C[NH2+]Cc1cccc(C[NH+]2CCCC2)c1)CC(F)(F)F ZINC000580642405 430140664 /nfs/dbraw/zinc/14/06/64/430140664.db2.gz VVHYZPRLDUFVHS-HNNXBMFYSA-N 2 0 316.367 2.685 20 0 DFADRP O[C@H](C[NH2+]C1CC[NH+](CC2CC2)CC1)Cc1cccc(Cl)c1 ZINC000580710117 430146070 /nfs/dbraw/zinc/14/60/70/430146070.db2.gz VCWLOJIZYXMDFJ-SFHVURJKSA-N 2 0 322.880 2.707 20 0 DFADRP C[NH2+]CCCC(=O)NC[C@H](c1ccccc1)[NH+]1CCC(C)CC1 ZINC000237171844 277021661 /nfs/dbraw/zinc/02/16/61/277021661.db2.gz DNUQCFULNLFDOT-GOSISDBHSA-N 2 0 317.477 2.575 20 0 DFADRP C[N@@H+]1CCCC[C@H]1CC[NH+]1CCCN2c3ccccc3C[C@H]2C1 ZINC000289479858 277046003 /nfs/dbraw/zinc/04/60/03/277046003.db2.gz NZTXTLSOUQKHTP-OALUTQOASA-N 2 0 313.489 2.998 20 0 DFADRP C[C@H]1CC[N@H+](Cc2cccc(-c3ccc(N)cc3)n2)C[C@@H]1C[NH3+] ZINC000634996282 430187052 /nfs/dbraw/zinc/18/70/52/430187052.db2.gz FONCQSQBZPZKMH-HOCLYGCPSA-N 2 0 310.445 2.748 20 0 DFADRP COc1ccccc1SC[C@H](C)C[NH2+]CC12CC(C1)C[NH2+]2 ZINC000634995695 430187516 /nfs/dbraw/zinc/18/75/16/430187516.db2.gz MPNNCHFVEFUJBY-TUBUQKNSSA-N 2 0 306.475 2.765 20 0 DFADRP CC(=O)Nc1ccc(CC[NH2+][C@H]2C[C@H](C)[N@@H+](C)C[C@H]2C)cc1 ZINC000165629306 277073325 /nfs/dbraw/zinc/07/33/25/277073325.db2.gz JCWOKPLSMXLYPS-GLJUWKHASA-N 2 0 303.450 2.506 20 0 DFADRP C[C@H](Nc1cc(N2CC[NH2+]CC2)cc[nH+]1)c1ccc(F)cc1 ZINC000635007644 430194491 /nfs/dbraw/zinc/19/44/91/430194491.db2.gz FTLQIKZONVFMQP-ZDUSSCGKSA-N 2 0 300.381 2.803 20 0 DFADRP C[NH+]1CCN(c2cccc(Cl)c2C[NH2+][C@H]2CC2(C)C)CC1 ZINC000356037255 277113681 /nfs/dbraw/zinc/11/36/81/277113681.db2.gz ASJQTXWCQHZFDN-INIZCTEOSA-N 2 0 307.869 2.980 20 0 DFADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1CN[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000635002972 430191101 /nfs/dbraw/zinc/19/11/01/430191101.db2.gz CSRKHEKPSLYECV-QXCFHYIPSA-N 2 0 301.478 2.614 20 0 DFADRP CC(C)CCNC(=O)[C@H](C)[N@H+](C)CCCC[NH+]1CCCCC1 ZINC000640530613 430191178 /nfs/dbraw/zinc/19/11/78/430191178.db2.gz FBTGJSXRRJADBZ-KRWDZBQOSA-N 2 0 311.514 2.735 20 0 DFADRP COC[C@@H](CCC[NH3+])[NH2+][C@@H]1CCO[C@H]1c1ccc(Cl)cc1 ZINC000635002991 430191583 /nfs/dbraw/zinc/19/15/83/430191583.db2.gz DEBNXJJZEGFTKX-OAGGEKHMSA-N 2 0 312.841 2.514 20 0 DFADRP CC(C)CCNC(=O)[C@@H](C)[N@H+](C)CCCC[NH+]1CCCCC1 ZINC000640530615 430192698 /nfs/dbraw/zinc/19/26/98/430192698.db2.gz FBTGJSXRRJADBZ-QGZVFWFLSA-N 2 0 311.514 2.735 20 0 DFADRP CCO[C@H]1C[C@@H]([NH2+]Cc2cccc3c2CC[NH2+]C3)C12CCC2 ZINC000635007265 430192984 /nfs/dbraw/zinc/19/29/84/430192984.db2.gz CRVHIGQMRJCEAQ-MSOLQXFVSA-N 2 0 300.446 2.770 20 0 DFADRP CC(C)(C)CC(=O)N1CCC([NH2+][C@H]2CC[C@H](C[NH3+])CC2)CC1 ZINC000635005542 430193106 /nfs/dbraw/zinc/19/31/06/430193106.db2.gz JGUIGDHCLLRFKX-SHTZXODSSA-N 2 0 309.498 2.521 20 0 DFADRP Cc1nc(C)c([C@@H](C)Nc2cc(N3CC[NH2+]CC3)cc[nH+]2)s1 ZINC000635007230 430193167 /nfs/dbraw/zinc/19/31/67/430193167.db2.gz FIXRGNVHFZPEKC-GFCCVEGCSA-N 2 0 317.462 2.738 20 0 DFADRP C[C@@H]1C[C@H]([NH2+][C@H]2CC[C@H](C[NH3+])CC2)CN1Cc1ccccc1 ZINC000635007329 430193180 /nfs/dbraw/zinc/19/31/80/430193180.db2.gz PFHMUQSJUFQADX-RWQQGDIJSA-N 2 0 301.478 2.757 20 0 DFADRP CC(C)n1ccc(C[C@H](C)[NH2+]Cc2cccc3c2CC[NH2+]C3)n1 ZINC000635006209 430194085 /nfs/dbraw/zinc/19/40/85/430194085.db2.gz BDIIAMKIQMMHPG-HNNXBMFYSA-N 2 0 312.461 2.831 20 0 DFADRP C[N@@H+]1CC[C@H]([NH2+]Cc2cccc3c2OCCCO3)[C@@H]2CCC[C@H]21 ZINC000375788250 277172257 /nfs/dbraw/zinc/17/22/57/277172257.db2.gz IPLJFRWRMOLJCR-YESZJQIVSA-N 2 0 316.445 2.810 20 0 DFADRP C[N@@H+]1CC[C@H]([NH2+]Cc2ccc(-n3cccn3)cc2)[C@H]2CCC[C@H]21 ZINC000367638982 277172286 /nfs/dbraw/zinc/17/22/86/277172286.db2.gz SLIVCHSJKIQJJL-CEXWTWQISA-N 2 0 310.445 2.835 20 0 DFADRP C[C@@H](Nc1cc(N2CC[NH2+]CC2)cc[nH+]1)c1ccc(Cl)cn1 ZINC000635010513 430195405 /nfs/dbraw/zinc/19/54/05/430195405.db2.gz SRPHIJQLNNFURJ-GFCCVEGCSA-N 2 0 317.824 2.713 20 0 DFADRP C[C@@H](CC(=O)N(C)c1ccccc1)[NH2+][C@H]1CC[NH2+]CC(C)(C)C1 ZINC000635012325 430196070 /nfs/dbraw/zinc/19/60/70/430196070.db2.gz SNLDIYSROGIAPO-HOTGVXAUSA-N 2 0 317.477 2.796 20 0 DFADRP Cc1ccc(CN2CC[C@@H]([NH2+]C3CCC(C[NH3+])CC3)C2)cc1 ZINC000635012780 430196336 /nfs/dbraw/zinc/19/63/36/430196336.db2.gz ORSIWIVIIDGPKN-NKELODKYSA-N 2 0 301.478 2.676 20 0 DFADRP c1ccc([C@@H]2OCC[C@H]2C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC000635012686 430196374 /nfs/dbraw/zinc/19/63/74/430196374.db2.gz NKVXGVIYXWYDBF-SPOLIRPYSA-N 2 0 300.446 2.742 20 0 DFADRP CC(C)C1(C[NH+]2CCN(CC[N@H+]3[C@H](C)CC[C@@H]3C)CC2)CC1 ZINC000637985415 430196423 /nfs/dbraw/zinc/19/64/23/430196423.db2.gz QVAOSLJBBMRTCD-HDICACEKSA-N 2 0 307.526 2.913 20 0 DFADRP c1ccc(C[C@@H]2CN(Cc3ccc4c(c3)C[NH2+]CC4)CCO2)cc1 ZINC000581315841 430197212 /nfs/dbraw/zinc/19/72/12/430197212.db2.gz VICPDNJTAMLNAE-OAQYLSRUSA-N 2 0 322.452 2.776 20 0 DFADRP C[N@@H+]1CCC[C@@H]1CCN[C@@H](CO)c1ccc(C(F)(F)F)cc1 ZINC000541953376 430197518 /nfs/dbraw/zinc/19/75/18/430197518.db2.gz KJHYEKUEYZUDKB-CABCVRRESA-N 2 0 316.367 2.813 20 0 DFADRP COCC[C@H](COC)[NH2+][C@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000353642424 277239981 /nfs/dbraw/zinc/23/99/81/277239981.db2.gz LMRBAWNAFDSOHJ-BHIYHBOVSA-N 2 0 320.477 2.538 20 0 DFADRP CC(C)CC[C@@H]([NH3+])C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000638046036 430220140 /nfs/dbraw/zinc/22/01/40/430220140.db2.gz ACARIJBGKVTWCU-GOSISDBHSA-N 2 0 317.477 2.531 20 0 DFADRP CC[NH2+][C@H](C)C(=O)NCc1ccc(C[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000638064393 430223887 /nfs/dbraw/zinc/22/38/87/430223887.db2.gz SYRZBCWDJNEKQI-JKSUJKDBSA-N 2 0 317.477 2.675 20 0 DFADRP CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)CC[C@H]2CCCC[NH+]2C)C1 ZINC000355152309 277390412 /nfs/dbraw/zinc/39/04/12/277390412.db2.gz RLZQDLKDTASJCJ-ZWKOTPCHSA-N 2 0 323.525 2.735 20 0 DFADRP Cc1ccc(NC(=O)[C@H]([NH3+])CCC(C)C)c(OCC[NH+](C)C)c1 ZINC000638119610 430242489 /nfs/dbraw/zinc/24/24/89/430242489.db2.gz VBUHUZSFTUJTRN-OAHLLOKOSA-N 2 0 321.465 2.637 20 0 DFADRP CC[NH+](CC)[C@H](CNC(=O)C[C@H]1CC[N@H+](C)C1)c1ccsc1 ZINC000635280742 430244268 /nfs/dbraw/zinc/24/42/68/430244268.db2.gz WCCHVEACPSOMAT-GDBMZVCRSA-N 2 0 323.506 2.589 20 0 DFADRP COCC[N@H+](C)CCCC1CC[NH+](Cc2ccns2)CC1 ZINC000638131606 430245864 /nfs/dbraw/zinc/24/58/64/430245864.db2.gz LQTBDPQPJYTVFM-UHFFFAOYSA-N 2 0 311.495 2.714 20 0 DFADRP COc1cncc(C[N@@H+]2CCC[C@@H]2Cn2ccnc2C)c1C ZINC000638147426 430252777 /nfs/dbraw/zinc/25/27/77/430252777.db2.gz SEEUDMKRFYDVPQ-MRXNPFEDSA-N 2 0 300.406 2.568 20 0 DFADRP C[N@H+](C[C@H](O)CNc1cccc(Oc2ccncc2)c1)C1CC1 ZINC000581998738 430258884 /nfs/dbraw/zinc/25/88/84/430258884.db2.gz VEDSJIYFBDBRRV-MRXNPFEDSA-N 2 0 313.401 2.741 20 0 DFADRP C[C@H](C(=O)Nc1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1)[NH+](C)C ZINC000635348862 430259521 /nfs/dbraw/zinc/25/95/21/430259521.db2.gz MUIFOMVZROCKSC-LSDHHAIUSA-N 2 0 303.450 2.807 20 0 DFADRP C[C@H](C(=O)Nc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1)[NH+](C)C ZINC000635348861 430259566 /nfs/dbraw/zinc/25/95/66/430259566.db2.gz MUIFOMVZROCKSC-HUUCEWRRSA-N 2 0 303.450 2.807 20 0 DFADRP COc1ccccc1[C@H](C[NH2+][C@H]1CCC[C@H]([NH3+])C1)N1CCCC1 ZINC000566481608 430266217 /nfs/dbraw/zinc/26/62/17/430266217.db2.gz GXWBUSJBPBQJMJ-BQFCYCMXSA-N 2 0 317.477 2.692 20 0 DFADRP C[C@H](Cc1ccsc1)[N@@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@@H]21 ZINC000544008750 430270466 /nfs/dbraw/zinc/27/04/66/430270466.db2.gz PBZHCQUDTIPNDL-BSWAZPDLSA-N 2 0 308.491 2.863 20 0 DFADRP CC(C)CC[C@H]([NH3+])C(=O)N1CC[NH2+]C[C@H]1c1cccc(Cl)c1 ZINC000638217249 430275624 /nfs/dbraw/zinc/27/56/24/430275624.db2.gz JKGRQFDEJUAKBN-HOTGVXAUSA-N 2 0 323.868 2.576 20 0 DFADRP CC[NH+](CC)[C@@H](CNC(=O)C[C@@H]1CC[N@H+](C)C1)c1ccccc1 ZINC000635189067 430226790 /nfs/dbraw/zinc/22/67/90/430226790.db2.gz OKWIOHUXLCJWNF-WMZOPIPTSA-N 2 0 317.477 2.528 20 0 DFADRP CC[N@H+](C)Cc1cccc(CNC(=O)[C@H]([NH3+])CCC(C)C)c1 ZINC000638078842 430227857 /nfs/dbraw/zinc/22/78/57/430227857.db2.gz HAWMBHIXABSGRP-QGZVFWFLSA-N 2 0 305.466 2.518 20 0 DFADRP CC[NH2+][C@H](C)C(=O)N(CC)[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000638079624 430228656 /nfs/dbraw/zinc/22/86/56/430228656.db2.gz PASJAOLPKUOSCI-RYRKJORJSA-N 2 0 317.477 2.668 20 0 DFADRP CC[C@@H]1CCC[C@H]1[NH2+]Cc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC000542852048 430229785 /nfs/dbraw/zinc/22/97/85/430229785.db2.gz OSWWUPLURXVNBR-AYOQOUSVSA-N 2 0 302.462 2.922 20 0 DFADRP CC(C)CC[C@H]([NH3+])C(=O)N1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000638086990 430232816 /nfs/dbraw/zinc/23/28/16/430232816.db2.gz YSSJKXVBCQOBKO-SQNIBIBYSA-N 2 0 323.525 2.863 20 0 DFADRP Cc1ccc([C@@H](CNC(=O)[C@@H]([NH3+])CCC(C)C)[NH+]2CCCC2)o1 ZINC000638097081 430234381 /nfs/dbraw/zinc/23/43/81/430234381.db2.gz VFEYQKRZILOYSI-JKSUJKDBSA-N 2 0 321.465 2.605 20 0 DFADRP C[C@H](C(=O)Nc1ccc(Cl)cc1)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000581726933 430236452 /nfs/dbraw/zinc/23/64/52/430236452.db2.gz SDYFXHYCNAMUHF-CXAGYDPISA-N 2 0 321.852 2.743 20 0 DFADRP C[NH+](C)Cc1cccc(C[NH2+]CCC(=O)Nc2ccccc2)c1 ZINC000566063243 430237009 /nfs/dbraw/zinc/23/70/09/430237009.db2.gz KMSXBGQHKHLOKV-UHFFFAOYSA-N 2 0 311.429 2.867 20 0 DFADRP c1ccc(N2CC[C@H](C[N@@H+]3CC[C@@H](C[NH+]4CCCC4)C3)C2)cc1 ZINC000638113328 430239159 /nfs/dbraw/zinc/23/91/59/430239159.db2.gz RSPIEMGAFYOTEU-RBUKOAKNSA-N 2 0 313.489 2.931 20 0 DFADRP CC(C)[N@@H+]1CCCC[C@@H]1Cn1cc(CC[NH+]2CCCCC2)nn1 ZINC000641170097 430349959 /nfs/dbraw/zinc/34/99/59/430349959.db2.gz VSCBSPJSCVNIGK-GOSISDBHSA-N 2 0 319.497 2.569 20 0 DFADRP C[C@H]1C[C@@H]([NH3+])CCN1Cc1cnn(-c2ccc(Cl)cc2)c1 ZINC000582308870 430288178 /nfs/dbraw/zinc/28/81/78/430288178.db2.gz AQCXHUUDBPZQPO-WFASDCNBSA-N 2 0 304.825 2.837 20 0 DFADRP C[C@H]([NH2+]C(C)(C)CNC(=O)C[C@H]1CC[N@H+](C)C1)c1ccccc1 ZINC000635493980 430291953 /nfs/dbraw/zinc/29/19/53/430291953.db2.gz GAAFZKDAEOQPIM-JKSUJKDBSA-N 2 0 317.477 2.574 20 0 DFADRP c1cn(CC[NH2+][C@H]2CCN(C3CC3)[C@H](c3ccccc3)C2)cn1 ZINC000638298396 430297654 /nfs/dbraw/zinc/29/76/54/430297654.db2.gz OYXDTVNQGZGLNS-HKUYNNGSSA-N 3 0 310.445 2.841 20 0 DFADRP C[C@@H](C[C@H]1CCCC(=O)N1)[NH2+]CCC[N@H+](C)Cc1ccccc1 ZINC000638308541 430300693 /nfs/dbraw/zinc/30/06/93/430300693.db2.gz KBSHUOJMLZVAAS-FUHWJXTLSA-N 2 0 317.477 2.545 20 0 DFADRP CO[C@]1(C[NH2+]Cc2ccc(C[NH+]3CCCCC3)cc2)CCOC1 ZINC000638313431 430301939 /nfs/dbraw/zinc/30/19/39/430301939.db2.gz WFVPFELGPJBSJS-IBGZPJMESA-N 2 0 318.461 2.568 20 0 DFADRP COc1ccccc1OCC[NH2+][C@@H](C)C[C@H]1CCCCC[NH2+]1 ZINC000582480687 430302975 /nfs/dbraw/zinc/30/29/75/430302975.db2.gz NVCLNGLBZXVOJC-JKSUJKDBSA-N 2 0 306.450 2.974 20 0 DFADRP C[C@H](C(=O)NCc1ccccc1C[NH+]1CCCCCC1)[NH+](C)C ZINC000635554261 430306634 /nfs/dbraw/zinc/30/66/34/430306634.db2.gz LPEPTFQHBHAIQP-MRXNPFEDSA-N 2 0 317.477 2.629 20 0 DFADRP CCOCc1ccccc1C[NH2+]C1CC[NH+](CC(C)(C)O)CC1 ZINC000638328990 430307501 /nfs/dbraw/zinc/30/75/01/430307501.db2.gz OTAACJFTNIZLRR-UHFFFAOYSA-N 2 0 320.477 2.548 20 0 DFADRP C[N@H+](CCC(=O)N1CC[NH+](C2CCCC2)CC1)C1CCCCC1 ZINC000545309815 430314759 /nfs/dbraw/zinc/31/47/59/430314759.db2.gz KDFAAYGNGOVKRH-UHFFFAOYSA-N 2 0 321.509 2.728 20 0 DFADRP C[C@@H]([NH2+]CCCC[NH+]1CCN(C)CC1)[C@H]1CC2CCC1CC2 ZINC000638360943 430317450 /nfs/dbraw/zinc/31/74/50/430317450.db2.gz XIHQUFVXQYBWDY-LWSMDNFKSA-N 2 0 307.526 2.818 20 0 DFADRP COc1ncc(C[NH2+]CCCC[NH+]2C[C@H](C)C[C@@H](C)C2)s1 ZINC000638369370 430317971 /nfs/dbraw/zinc/31/79/71/430317971.db2.gz GNZFWUMZLMUPEQ-ZIAGYGMSSA-N 2 0 311.495 2.999 20 0 DFADRP C[C@H]1C[C@@H]([NH3+])CC[N@@H+]1Cc1ccc(OCc2ccccn2)cc1 ZINC000568103737 430318699 /nfs/dbraw/zinc/31/86/99/430318699.db2.gz IYPFJCPNGVSHIV-RDJZCZTQSA-N 2 0 311.429 2.972 20 0 DFADRP CC(C)(C)O[C@H]1C[C@H]([NH2+]CCCC[NH+]2CCOCC2)C12CCC2 ZINC000638369508 430318710 /nfs/dbraw/zinc/31/87/10/430318710.db2.gz BZGSQHCZOPPGBE-IRXDYDNUSA-N 2 0 324.509 2.815 20 0 DFADRP Cc1nccn1CCCCNC(=O)[C@H](CC(C)C)n1ccnc1 ZINC000635604541 430319764 /nfs/dbraw/zinc/31/97/64/430319764.db2.gz XEJWQHDRBBGAOH-INIZCTEOSA-N 2 0 317.437 2.572 20 0 DFADRP C[C@H]1C[C@H](C)C[NH+](CCCC[NH2+]C2CC(n3cccn3)C2)C1 ZINC000638371932 430320939 /nfs/dbraw/zinc/32/09/39/430320939.db2.gz UVUNFTUHROTWOV-VYMRPNJYSA-N 2 0 304.482 2.934 20 0 DFADRP C[C@H]1C[C@H](C)C[NH+](CCCC[NH2+]Cc2c[nH]c3ncncc23)C1 ZINC000638372688 430320956 /nfs/dbraw/zinc/32/09/56/430320956.db2.gz YGSGSDKFRXVVLU-GJZGRUSLSA-N 2 0 315.465 2.757 20 0 DFADRP Cc1ncc(C[NH2+]CCc2nc(-c3ccccn3)cs2)n1C ZINC000582797300 430335709 /nfs/dbraw/zinc/33/57/09/430335709.db2.gz PMBDGAYQEWWLDS-UHFFFAOYSA-N 2 0 313.430 2.579 20 0 DFADRP CCC[NH+]1CCC(NC(=O)CC[N@H+](C)C2CCCCC2)CC1 ZINC000546016868 430342395 /nfs/dbraw/zinc/34/23/95/430342395.db2.gz KFLLABQRMJKKAC-UHFFFAOYSA-N 2 0 309.498 2.632 20 0 DFADRP C[N@@H+]1CCN(CC[NH2+][C@H]2CCc3c2cccc3Cl)CC1(C)C ZINC000568351105 430346872 /nfs/dbraw/zinc/34/68/72/430346872.db2.gz ODSBKECODKUPIH-KRWDZBQOSA-N 2 0 321.896 2.943 20 0 DFADRP Cc1ccc(CC[C@H](C)[NH2+]C2CC[NH+](CC(C)(C)O)CC2)o1 ZINC000638698643 430413325 /nfs/dbraw/zinc/41/33/25/430413325.db2.gz LRQYXPFFFWYILY-AWEZNQCLSA-N 2 0 308.466 2.734 20 0 DFADRP C[C@@H]([NH2+]CCOc1cccc(Cl)c1Cl)[C@H]1CC[NH2+]C1 ZINC000568381407 430353477 /nfs/dbraw/zinc/35/34/77/430353477.db2.gz HEMGTCJVJYAPRG-MNOVXSKESA-N 2 0 303.233 2.960 20 0 DFADRP C[NH2+][C@@H](C)c1cn(Cc2ccc(C[NH+]3CCCCC3)cc2)nn1 ZINC000641179421 430355269 /nfs/dbraw/zinc/35/52/69/430355269.db2.gz KWQOITOHYNTHCV-HNNXBMFYSA-N 2 0 313.449 2.593 20 0 DFADRP Cc1ccc(C[NH+]2CCCC2)cc1NC(=O)C1(C[NH+](C)C)CC1 ZINC000635712831 430355998 /nfs/dbraw/zinc/35/59/98/430355998.db2.gz VLGPTGJICLBUET-UHFFFAOYSA-N 2 0 315.461 2.871 20 0 DFADRP CO[C@@H](C[NH2+]CCCCC[NH+]1CCCCC1)C1CCOCC1 ZINC000638527993 430368869 /nfs/dbraw/zinc/36/88/69/430368869.db2.gz VNUAFPYELLSGEC-SFHVURJKSA-N 2 0 312.498 2.674 20 0 DFADRP COCC1(CC[NH2+][C@@H]2CCN(CCc3ccccc3)C2)CC1 ZINC000583144166 430369538 /nfs/dbraw/zinc/36/95/38/430369538.db2.gz SOZUKLTZMUDICC-GOSISDBHSA-N 2 0 302.462 2.710 20 0 DFADRP [NH3+]C[C@H]1CC[C@H](C[NH2+][C@H](c2ccccc2)c2cncnc2)CC1 ZINC000583198119 430374306 /nfs/dbraw/zinc/37/43/06/430374306.db2.gz FXTXMYSZNSGUJS-GPMSIDNRSA-N 2 0 310.445 2.921 20 0 DFADRP C[C@H](C[NH2+][C@H](C)[C@@H]1CC2CCC1CC2)CN1CC[NH+](C)CC1 ZINC000638555614 430374887 /nfs/dbraw/zinc/37/48/87/430374887.db2.gz ZDEVULOQOAXLNV-DEFHTRQUSA-N 2 0 307.526 2.674 20 0 DFADRP C[C@H](C[NH2+][C@@H](C)[C@H]1CC2CCC1CC2)CN1CC[NH+](C)CC1 ZINC000638555616 430375672 /nfs/dbraw/zinc/37/56/72/430375672.db2.gz ZDEVULOQOAXLNV-MAQDGTSESA-N 2 0 307.526 2.674 20 0 DFADRP C[C@H](NC(=O)C[N@H+](C)CC(C)(C)C)[C@@H]1CCC[NH+](C2CCC2)C1 ZINC000635787424 430377737 /nfs/dbraw/zinc/37/77/37/430377737.db2.gz MVQNVGYSKDVEBD-JKSUJKDBSA-N 2 0 323.525 2.734 20 0 DFADRP Cc1cc(F)ccc1C[N@@H+]1CCC[C@H](N2CCOCC2)CC1 ZINC000568664397 430381241 /nfs/dbraw/zinc/38/12/41/430381241.db2.gz RUSGPVIREJLHCO-SFHVURJKSA-N 2 0 306.425 2.821 20 0 DFADRP C[C@H](CNC(=O)CC[C@@H]([NH3+])c1ccccc1)[N@@H+]1CCC[C@@H](C)C1 ZINC000568756387 430389090 /nfs/dbraw/zinc/38/90/90/430389090.db2.gz GMLJFRIBGDRPLY-JFIYKMOQSA-N 2 0 317.477 2.703 20 0 DFADRP CC[NH+]1CCC(C[NH2+][C@H](C)c2ccc([S@](C)=O)cc2)CC1 ZINC000569057838 430418023 /nfs/dbraw/zinc/41/80/23/430418023.db2.gz YPDONOJLMLQQAF-SZNDQCEHSA-N 2 0 308.491 2.807 20 0 DFADRP CC[C@@H](C)[C@@H]1CCCC[N@@H+]1CC(=O)NC1CC[NH+](C(C)C)CC1 ZINC000583557709 430406738 /nfs/dbraw/zinc/40/67/38/430406738.db2.gz XFCYRFAJEHMFRH-AEFFLSMTSA-N 2 0 323.525 2.876 20 0 DFADRP CC[NH+]1CCC(CC[NH2+]C[C@H](Cc2ccccc2)OC)CC1 ZINC000638693442 430410060 /nfs/dbraw/zinc/41/00/60/430410060.db2.gz SGHPNQOQVNIFRC-IBGZPJMESA-N 2 0 304.478 2.956 20 0 DFADRP C[C@@H](C(=O)N(C)CCCC[NH+]1CCCCC1)[NH+]1[C@H](C)CC[C@H]1C ZINC000641662236 430437092 /nfs/dbraw/zinc/43/70/92/430437092.db2.gz ZVJIKIRUWDTENJ-KURKYZTESA-N 2 0 323.525 2.972 20 0 DFADRP C[C@@H](C(=O)N(C)CCCC[NH+]1CCCCC1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000641662235 430437772 /nfs/dbraw/zinc/43/77/72/430437772.db2.gz ZVJIKIRUWDTENJ-KSZLIROESA-N 2 0 323.525 2.972 20 0 DFADRP CC[NH+](CC)C[C@@H]1CCN(C(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC000548061006 430444644 /nfs/dbraw/zinc/44/46/44/430444644.db2.gz GKFDXPUDULYWKO-KRWDZBQOSA-N 2 0 323.525 2.831 20 0 DFADRP CC[NH+](CC)CCC[C@H](C)[NH2+]Cc1ccc2[nH]c(=O)[nH]c2c1 ZINC000641701499 430445769 /nfs/dbraw/zinc/44/57/69/430445769.db2.gz SEVWDAJDFQLILJ-ZDUSSCGKSA-N 2 0 304.438 2.869 20 0 DFADRP CC[NH2+]CCC[NH2+]C1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000569349612 430446729 /nfs/dbraw/zinc/44/67/29/430446729.db2.gz YLCMXRFRCLVGEN-UHFFFAOYSA-N 2 0 309.885 2.894 20 0 DFADRP CC[C@H](C)[C@H](C[NH2+]CC1CCN(c2cc[nH+]cc2)CC1)OC ZINC000638836345 430450438 /nfs/dbraw/zinc/45/04/38/430450438.db2.gz FHKNTAQOJFKLLQ-YJBOKZPZSA-N 2 0 305.466 2.949 20 0 DFADRP C[NH+](C)Cc1cccc(C[NH2+]Cc2cccn(C(F)F)c2=O)c1 ZINC000638850096 430454868 /nfs/dbraw/zinc/45/48/68/430454868.db2.gz BTROKCSZPOBLAI-UHFFFAOYSA-N 2 0 321.371 2.595 20 0 DFADRP Cn1cc(CCC[NH2+]Cc2cccc(C[NH+]3CCCC3)c2)cn1 ZINC000638850502 430455165 /nfs/dbraw/zinc/45/51/65/430455165.db2.gz PDNPDEFOXXGIDW-UHFFFAOYSA-N 2 0 312.461 2.738 20 0 DFADRP CC1([NH+]2CCCC2)CCN(C(=O)[C@H]2CCCCCC[C@H]2[NH3+])CC1 ZINC000638859158 430457621 /nfs/dbraw/zinc/45/76/21/430457621.db2.gz JPSLXEMTXQWQNJ-DLBZAZTESA-N 2 0 321.509 2.761 20 0 DFADRP C[C@@H]1C[NH+](Cc2cccc(N[C@@H]3CCC[C@H]([NH3+])C3)c2)C[C@@H](C)O1 ZINC000569473327 430457698 /nfs/dbraw/zinc/45/76/98/430457698.db2.gz XEPWMIXWINWVNR-IIHSZXCVSA-N 2 0 317.477 2.978 20 0 DFADRP CC(C)[N@H+](C)CC1CC[NH+](Cc2cnc(C3CC3)nc2)CC1 ZINC000584098786 430458698 /nfs/dbraw/zinc/45/86/98/430458698.db2.gz SUZQUQQPTWNNMB-UHFFFAOYSA-N 2 0 302.466 2.906 20 0 DFADRP CCC1([NH+]2CCCC2)CCN(C(=O)C[C@@H](C[NH3+])CC(C)C)CC1 ZINC000638862600 430459950 /nfs/dbraw/zinc/45/99/50/430459950.db2.gz WWBYOFKLMOIRSO-KRWDZBQOSA-N 2 0 323.525 2.865 20 0 DFADRP CCC1([NH+]2CCCC2)CCN(C(=O)CCC2CC[NH2+]CC2)CC1 ZINC000638862159 430459968 /nfs/dbraw/zinc/45/99/68/430459968.db2.gz MBKDMCIGRYDQNP-UHFFFAOYSA-N 2 0 321.509 2.633 20 0 DFADRP Nc1cnccc1C[NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]12 ZINC000641746657 430460716 /nfs/dbraw/zinc/46/07/16/430460716.db2.gz BSHATQFEQAVCMJ-WSTZPKSXSA-N 2 0 322.456 2.664 20 0 DFADRP CC(C)[C@H](CN(C)Cc1ccccc1)[NH2+]Cc1ccncc1N ZINC000641747424 430460750 /nfs/dbraw/zinc/46/07/50/430460750.db2.gz HASOGZOEGPSSLH-IBGZPJMESA-N 2 0 312.461 2.910 20 0 DFADRP C[NH2+]Cc1ccccc1NC(=O)N1CCC[N@@H+](C(C)(C)C)CC1 ZINC000584160945 430464576 /nfs/dbraw/zinc/46/45/76/430464576.db2.gz FNHISTPCMCSHDS-UHFFFAOYSA-N 2 0 318.465 2.744 20 0 DFADRP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CC[NH+](C)C1CCCCC1 ZINC000548389265 430468540 /nfs/dbraw/zinc/46/85/40/430468540.db2.gz ZZLDPDWRBMBKQS-MSOLQXFVSA-N 2 0 321.509 2.726 20 0 DFADRP CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)CC[NH+](C)C1CCCCC1 ZINC000548388491 430468602 /nfs/dbraw/zinc/46/86/02/430468602.db2.gz SODBSZXAWRLOOP-SFHVURJKSA-N 2 0 323.525 2.974 20 0 DFADRP CC[N@@H+]1CCC[C@H]1CN(C)C(=O)CC[NH+](C)C1CCCCC1 ZINC000548393226 430468813 /nfs/dbraw/zinc/46/88/13/430468813.db2.gz RXYNMIVZQMOYJY-KRWDZBQOSA-N 2 0 309.498 2.584 20 0 DFADRP CC1(C)[C@H]([NH3+])C[C@@H]1[NH2+]Cc1ccc(OCc2cccnc2)cc1 ZINC000641801349 430475448 /nfs/dbraw/zinc/47/54/48/430475448.db2.gz BNDGVYYOGNKNGI-MSOLQXFVSA-N 2 0 311.429 2.876 20 0 DFADRP Cc1nnsc1C[NH2+]C1CCC([NH+]2CCC(C)CC2)CC1 ZINC000638777947 430432083 /nfs/dbraw/zinc/43/20/83/430432083.db2.gz XBBQNLFSWNCOEJ-UHFFFAOYSA-N 2 0 308.495 2.979 20 0 DFADRP C(O[C@H]1CC[NH2+]C1)C1CC[NH+](C[C@H]2CCC3(CCCC3)O2)CC1 ZINC000641819082 430483041 /nfs/dbraw/zinc/48/30/41/430483041.db2.gz HJQQWRGMOFINQE-ZWKOTPCHSA-N 2 0 322.493 2.569 20 0 DFADRP CC[C@@H]1CC[C@H]1[NH2+][C@H](CN1CC[NH+](C)CC1)c1ccccc1 ZINC000569756976 430483756 /nfs/dbraw/zinc/48/37/56/430483756.db2.gz HBVWSZUWTTZWLH-BHIYHBOVSA-N 2 0 301.478 2.753 20 0 DFADRP CC[C@](C)(C[NH2+]Cc1ccccc1C[N@@H+]1CCC[C@H]1CO)OC ZINC000638972567 430485008 /nfs/dbraw/zinc/48/50/08/430485008.db2.gz VGKNRBUVKZXRCV-RBUKOAKNSA-N 2 0 320.477 2.548 20 0 DFADRP CC[N@H+](C)C[C@H](O)C[NH+]1CCCC[C@H]1CCc1ccccc1 ZINC000569937768 430499194 /nfs/dbraw/zinc/49/91/94/430499194.db2.gz NNHPYVCZRZTXOM-OALUTQOASA-N 2 0 304.478 2.786 20 0 DFADRP C[NH+]1CCN(C[C@H]([NH2+][C@H]2CCC23CCC3)c2ccccc2)CC1 ZINC000548861165 430505579 /nfs/dbraw/zinc/50/55/79/430505579.db2.gz MZVDVFDKTSKVLU-OALUTQOASA-N 2 0 313.489 2.897 20 0 DFADRP CC(C)[NH+]1CCC(C(=O)N2CC[C@H](C[NH3+])c3ccccc32)CC1 ZINC000639064068 430509059 /nfs/dbraw/zinc/50/90/59/430509059.db2.gz BYBHOPPEPBNIMW-MRXNPFEDSA-N 2 0 315.461 2.586 20 0 DFADRP C[C@H]([NH3+])c1ccc(C(=O)N2CC[C@H](C[NH3+])c3ccccc32)cc1 ZINC000639066670 430509942 /nfs/dbraw/zinc/50/99/42/430509942.db2.gz XAQWWLACTRHCEJ-XJKSGUPXSA-N 2 0 309.413 2.799 20 0 DFADRP c1ccc2c(c1)OC[C@H](C[NH+]1CCC(C[NH+]3CCCC3)CC1)O2 ZINC000642643165 430523543 /nfs/dbraw/zinc/52/35/43/430523543.db2.gz HONMGGRXVNPNSZ-KRWDZBQOSA-N 2 0 316.445 2.634 20 0 DFADRP CN(C[C@H](O)C[NH2+][C@@H]1CC[C@H](c2ccc(F)cc2)C1)C1CC1 ZINC000570325406 430533679 /nfs/dbraw/zinc/53/36/79/430533679.db2.gz WTGOIALFYZLSNH-YXJHDRRASA-N 2 0 306.425 2.507 20 0 DFADRP C[C@H](C[C@@H]1CCCC(=O)N1)[NH2+]C[C@H]1CCC[N@@H+]1C1CCCCC1 ZINC000639133003 430537586 /nfs/dbraw/zinc/53/75/86/430537586.db2.gz FZXYALXXNRKXGI-SOLBZPMBSA-N 2 0 321.509 2.820 20 0 DFADRP Cn1cc(CCC[NH2+]C[C@@H]2CCC[N@@H+]2C2CCCCC2)cn1 ZINC000639133683 430538139 /nfs/dbraw/zinc/53/81/39/430538139.db2.gz VNUFCPSCTINZHZ-SFHVURJKSA-N 2 0 304.482 2.739 20 0 DFADRP CC(C)(O)C[NH+]1CCC([NH2+]CCc2ccc3[nH]ccc3c2)CC1 ZINC000639137332 430538876 /nfs/dbraw/zinc/53/88/76/430538876.db2.gz WZVOOHCTVCVGRR-UHFFFAOYSA-N 2 0 315.461 2.535 20 0 DFADRP COc1ccccc1N1CC[C@H](C[NH2+][C@H]2CCCCC[C@@H]2[NH3+])C1 ZINC000570388821 430538836 /nfs/dbraw/zinc/53/88/36/430538836.db2.gz IIWXEWSEMAVQDJ-IKGGRYGDSA-N 2 0 317.477 2.771 20 0 DFADRP CC[C@H]1CCC[C@@H]1[NH2+]C[C@@H](O)CN1CCc2ccccc2C1 ZINC000550897619 430547641 /nfs/dbraw/zinc/54/76/41/430547641.db2.gz GRQGKUMYLZZVRS-IPELMVKDSA-N 2 0 302.462 2.574 20 0 DFADRP CC[C@](C)(C[N@H+](C)C[C@@H]1CCCN(C)[C@H]1c1cncn1C)OC ZINC000639155026 430547983 /nfs/dbraw/zinc/54/79/83/430547983.db2.gz LDBCACNIAXYNKU-CGTJXYLNSA-N 2 0 322.497 2.550 20 0 DFADRP c1ccc([C@@H](C[NH+]2CCCCC2)N[C@H]2CCC[NH2+]CC2)cc1 ZINC000643451861 430600843 /nfs/dbraw/zinc/60/08/43/430600843.db2.gz MKNGJDCRZMBSKM-RBUKOAKNSA-N 2 0 301.478 2.945 20 0 DFADRP C[C@@H](N[C@H](C[NH+]1CCCCC1)c1ccccc1)[C@H]1CCC[NH2+]1 ZINC000643451863 430600902 /nfs/dbraw/zinc/60/09/02/430600902.db2.gz NIMVKBUIBRPPPF-BHIYHBOVSA-N 2 0 301.478 2.944 20 0 DFADRP Cc1nc2ccccc2nc1C[NH+]1CCC[C@@H]2C[N@H+](C)CC[C@H]21 ZINC000639180763 430558006 /nfs/dbraw/zinc/55/80/06/430558006.db2.gz YCMOCNWSYNBDDQ-DNVCBOLYSA-N 2 0 310.445 2.854 20 0 DFADRP C[C@H]1CC[N@H+](Cc2cccc(CN3CCOCC3)c2)C[C@H]1F ZINC000643251822 430567875 /nfs/dbraw/zinc/56/78/75/430567875.db2.gz FXKFJUFCXXSVGN-MAUKXSAKSA-N 2 0 306.425 2.699 20 0 DFADRP CC(C)(O)C[NH+]1CCC([NH2+]C[C@@H]2CCCCC2(F)F)CC1 ZINC000639216117 430575439 /nfs/dbraw/zinc/57/54/39/430575439.db2.gz CZKWLCURIYYQJS-ZDUSSCGKSA-N 2 0 304.425 2.637 20 0 DFADRP C[C@@H]([NH2+]CC(C)(C)c1ccc2c(c1)OCO2)[C@@H]1CCC[NH2+]C1 ZINC000570792552 430577089 /nfs/dbraw/zinc/57/70/89/430577089.db2.gz KCOZRLAXSSLFMN-ZIAGYGMSSA-N 2 0 304.434 2.671 20 0 DFADRP C[C@@H]([NH2+]CC(C)(C)c1ccc2c(c1)OCO2)[C@H]1CCC[NH2+]C1 ZINC000570792550 430577136 /nfs/dbraw/zinc/57/71/36/430577136.db2.gz KCOZRLAXSSLFMN-KGLIPLIRSA-N 2 0 304.434 2.671 20 0 DFADRP C[NH+](C)CCCCC(=O)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000570818348 430579666 /nfs/dbraw/zinc/57/96/66/430579666.db2.gz WWHZUNZQLXRTTO-UHFFFAOYSA-N 2 0 323.525 2.833 20 0 DFADRP COc1ccc2[nH]cc(CC[NH2+][C@H]3CCCC[C@@H]3C[NH3+])c2c1 ZINC000643453947 430601839 /nfs/dbraw/zinc/60/18/39/430601839.db2.gz NKGFZJYWRDKQTO-DYVFJYSZSA-N 2 0 301.434 2.826 20 0 DFADRP C[N@@H+]1CCC[C@@H](CC[NH2+]C[C@@H]2CCN(c3ccccc3)C2)C1 ZINC000639257688 430589121 /nfs/dbraw/zinc/58/91/21/430589121.db2.gz QNGNOFGMLCOVOR-ROUUACIJSA-N 2 0 301.478 2.834 20 0 DFADRP CC[N@H+](Cc1ccc(OCC[NH+]2CCCC2)cc1)[C@@H]1CCOC1 ZINC000643353312 430590297 /nfs/dbraw/zinc/59/02/97/430590297.db2.gz OZFKWXOVWGBIOZ-GOSISDBHSA-N 2 0 318.461 2.772 20 0 DFADRP C[C@@H]([NH2+]C[C@H]1CCN(c2ccc(Cl)cc2)C1)[C@H]1CCC[NH2+]1 ZINC000643453109 430602173 /nfs/dbraw/zinc/60/21/73/430602173.db2.gz IEXISEQASNGMPT-CKEIUWERSA-N 2 0 307.869 2.896 20 0 DFADRP CC(C)[C@@H]1CC[C@@H]1[NH2+]C[C@@H]1CCCN(C)[C@H]1c1ccnn1C ZINC000552323864 430594433 /nfs/dbraw/zinc/59/44/33/430594433.db2.gz UDFPLJCNIDIBDN-NBOOPKSLSA-N 2 0 304.482 2.827 20 0 DFADRP COc1ncc(CNC[C@@H]2C[N@H+](C)C[C@H]2c2ccccc2)s1 ZINC000639286710 430597957 /nfs/dbraw/zinc/59/79/57/430597957.db2.gz SHVBSSRZPNXEGN-ZBFHGGJFSA-N 2 0 317.458 2.587 20 0 DFADRP CO[C@@H](C[NH2+]C[C@@H]1C[N@H+](C)C[C@H]1c1ccccc1)CC(C)C ZINC000639287250 430599858 /nfs/dbraw/zinc/59/98/58/430599858.db2.gz YAUZZGUYOJOYNH-QRVBRYPASA-N 2 0 304.478 2.983 20 0 DFADRP [NH3+]C[C@@H]1CN(c2ccnc3cc(F)c(Cl)cc32)CCCO1 ZINC000643052981 430545975 /nfs/dbraw/zinc/54/59/75/430545975.db2.gz HZLYGZLLTFYBPL-SNVBAGLBSA-N 2 0 309.772 2.581 20 0 DFADRP COCC[N@H+](C[C@@H](C[NH3+])c1ccc(OC)cc1)C1CCCC1 ZINC000643057602 430546451 /nfs/dbraw/zinc/54/64/51/430546451.db2.gz ZZTNFCRGFLORMG-MRXNPFEDSA-N 2 0 306.450 2.629 20 0 DFADRP CC1=CC[C@@H]([NH2+]CCN2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000550887130 430546840 /nfs/dbraw/zinc/54/68/40/430546840.db2.gz OCUJENCSIBWMOI-HXUWFJFHSA-N 2 0 313.489 2.893 20 0 DFADRP C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2cccc(-n3cccn3)c2)C1 ZINC000554885607 430653584 /nfs/dbraw/zinc/65/35/84/430653584.db2.gz CKAKBNQEKMTYGV-PKOBYXMFSA-N 2 0 310.445 2.788 20 0 DFADRP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1[NH2+]CCc1ccc(C(F)(F)F)cc1 ZINC000643456665 430602635 /nfs/dbraw/zinc/60/26/35/430602635.db2.gz VTTGOPBGSRTEAA-CQDKDKBSSA-N 2 0 316.367 2.590 20 0 DFADRP C[C@@H]([NH2+]C[C@H]1CCN(c2ccc(Cl)cc2)C1)[C@@H]1CCC[NH2+]1 ZINC000643453110 430602659 /nfs/dbraw/zinc/60/26/59/430602659.db2.gz IEXISEQASNGMPT-CPUCHLNUSA-N 2 0 307.869 2.896 20 0 DFADRP COc1cccc2c1OC[C@H]([NH2+][C@H](C)C[C@H]1CCCCC[NH2+]1)C2 ZINC000643452048 430602784 /nfs/dbraw/zinc/60/27/84/430602784.db2.gz RCRBGWIRNSQDOY-DJIMGWMZSA-N 2 0 318.461 2.899 20 0 DFADRP COc1ccc2[nH]cc(CC[NH2+]C3CCC(C[NH3+])CC3)c2c1 ZINC000643453618 430602799 /nfs/dbraw/zinc/60/27/99/430602799.db2.gz LSVYBKMLYHVUNW-UHFFFAOYSA-N 2 0 301.434 2.826 20 0 DFADRP C[C@H](C[C@@H]1CCOC1)[NH2+][C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000643462036 430604800 /nfs/dbraw/zinc/60/48/00/430604800.db2.gz ZXXRAWFZVZJWAC-GFIVTLFCSA-N 2 0 316.445 2.647 20 0 DFADRP CC[NH+](CC)[C@@H](CNC(=O)C1CCC([NH3+])CC1)c1ccsc1 ZINC000621506571 430604921 /nfs/dbraw/zinc/60/49/21/430604921.db2.gz LOSRSYXFBDVYEH-BCLQGDPASA-N 2 0 323.506 2.765 20 0 DFADRP CC(C)[C@H]([NH2+][C@H](C)C[C@H]1CCCCC[NH2+]1)C(=O)N1CCCC1 ZINC000643470372 430605327 /nfs/dbraw/zinc/60/53/27/430605327.db2.gz JQWWWUGEEVUGKB-ZACQAIPSSA-N 2 0 309.498 2.534 20 0 DFADRP Cc1ccc(C[NH2+][C@@H]2CCCC[C@H]2C[NH3+])c(N2CCCC2)n1 ZINC000643471255 430605514 /nfs/dbraw/zinc/60/55/14/430605514.db2.gz KRTYHTXWVMTSPX-DOTOQJQBSA-N 2 0 302.466 2.597 20 0 DFADRP CC(C)[C@H](C[NH2+][C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1)c1ccnn1C ZINC000643484291 430607037 /nfs/dbraw/zinc/60/70/37/430607037.db2.gz PXPKCWYBOBWOFK-MWDXBVQZSA-N 2 0 304.482 2.670 20 0 DFADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+][C@@H](CO)[C@H](C)c1ccccc1 ZINC000643474436 430607739 /nfs/dbraw/zinc/60/77/39/430607739.db2.gz LVBDLPMLRXLVRO-WTANOLMUSA-N 2 0 313.445 2.664 20 0 DFADRP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1[NH2+][C@H]1C[C@@H](Oc2ccccc2)C1(C)C ZINC000571156506 430607947 /nfs/dbraw/zinc/60/79/47/430607947.db2.gz LNPSQRWIRHVDAX-PEJOBZMASA-N 2 0 318.461 2.574 20 0 DFADRP Clc1ccccc1CN1CCC([NH2+]CC2CC[NH2+]CC2)CC1 ZINC000643497912 430608481 /nfs/dbraw/zinc/60/84/81/430608481.db2.gz XAJWJAAMPPBLGM-UHFFFAOYSA-N 2 0 321.896 2.894 20 0 DFADRP CCOc1ccc(C[C@H](C)C[NH2+][C@@H]2CCOC[C@@H]2[C@H](C)[NH3+])cc1 ZINC000643493854 430608695 /nfs/dbraw/zinc/60/86/95/430608695.db2.gz WDKLRDYKHWNSDT-ILRDRHFLSA-N 2 0 320.477 2.606 20 0 DFADRP C[C@H]([NH2+]CCc1cc(C(F)(F)F)ccn1)[C@@H]1CCC[NH2+]C1 ZINC000643491028 430608939 /nfs/dbraw/zinc/60/89/39/430608939.db2.gz ROFWGQNYKDXJGS-NWDGAFQWSA-N 2 0 301.356 2.621 20 0 DFADRP c1ccc(C[N@H+]2CC[C@H](NCC[NH2+]C3CC3)[C@H]3CCC[C@@H]32)cc1 ZINC000643507388 430611054 /nfs/dbraw/zinc/61/10/54/430611054.db2.gz BNHKQVJNCVEPCT-AABGKKOBSA-N 2 0 313.489 2.771 20 0 DFADRP C[C@@H]1[C@@H]([NH2+][C@@H]2CCC[NH2+]CC2)CCCN1Cc1ccccc1 ZINC000643522584 430612653 /nfs/dbraw/zinc/61/26/53/430612653.db2.gz POKRBXIIBNWUCY-QRQLOZEOSA-N 2 0 301.478 2.771 20 0 DFADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+][C@H]1CC(C)(C)Oc2ccc(N)cc21 ZINC000643533019 430612786 /nfs/dbraw/zinc/61/27/86/430612786.db2.gz MTPHKYHBKOXPCM-WQVCFCJDSA-N 2 0 303.450 2.849 20 0 DFADRP C[C@H]([NH2+][C@@H]1CC[NH2+]C[C@H]1C)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000643524901 430612883 /nfs/dbraw/zinc/61/28/83/430612883.db2.gz WGJUGVAACAQRFY-TYNCELHUSA-N 2 0 301.434 2.565 20 0 DFADRP C[C@H]([NH2+][C@@H]1CC[NH2+]C[C@@H]1C)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000643524900 430613279 /nfs/dbraw/zinc/61/32/79/430613279.db2.gz WGJUGVAACAQRFY-SLEUVZQESA-N 2 0 301.434 2.565 20 0 DFADRP COc1cc(F)c([C@H](C)[NH2+][C@H]2CC23CC[NH2+]CC3)cc1OC ZINC000643537058 430614182 /nfs/dbraw/zinc/61/41/82/430614182.db2.gz YNFRIUPPKAWAII-ZBEGNZNMSA-N 2 0 308.397 2.636 20 0 DFADRP C[C@@H]([NH2+][C@H]1CC12CC[NH2+]CC2)c1cnn(Cc2ccccc2)c1 ZINC000643535033 430614842 /nfs/dbraw/zinc/61/48/42/430614842.db2.gz HWJDXJLYSLERLA-QAPCUYQASA-N 2 0 310.445 2.724 20 0 DFADRP C[C@@H]([NH2+][C@H]1CC[NH2+]C2(CCC2)C1)c1cccc(-n2ccnn2)c1 ZINC000643547567 430615266 /nfs/dbraw/zinc/61/52/66/430615266.db2.gz HCPWZZUVLFOFNC-ZBFHGGJFSA-N 2 0 311.433 2.593 20 0 DFADRP C[C@@H]1C[C@H](N[C@H]2CC[NH2+]C3(CCC3)C2)C[N@@H+]1Cc1ccccc1 ZINC000643545949 430615495 /nfs/dbraw/zinc/61/54/95/430615495.db2.gz FYEGNDVXLXDMDK-NEWSRXKRSA-N 2 0 313.489 2.914 20 0 DFADRP C[C@H]([NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1)c1ccc2[nH]c(=O)oc2c1 ZINC000643549186 430616362 /nfs/dbraw/zinc/61/63/62/430616362.db2.gz PDFYRZZDTWKHMN-DOERSZECSA-N 2 0 301.390 2.572 20 0 DFADRP O[C@@H]1CCN([C@@H]2CCC[C@@H]2[NH2+][C@H]2CC[C@H](c3ccccc3)C2)C1 ZINC000639370614 430623627 /nfs/dbraw/zinc/62/36/27/430623627.db2.gz DAZYBFHXPLSMFW-UHZRXMQZSA-N 2 0 314.473 2.900 20 0 DFADRP CCC(C)(C)[C@@H](C)[NH2+]Cc1ccnc(N2CC[NH+](C)CC2)c1 ZINC000571376160 430623649 /nfs/dbraw/zinc/62/36/49/430623649.db2.gz MIICJQOVSMWZOY-OAHLLOKOSA-N 2 0 304.482 2.748 20 0 DFADRP CC1(c2ccccc2)CC([NH2+][C@@H]2CCC[C@@H]2N2CC[C@H](O)C2)C1 ZINC000639373252 430624481 /nfs/dbraw/zinc/62/44/81/430624481.db2.gz PEKXCNKIDXFNPS-WDEUGEGNSA-N 2 0 314.473 2.684 20 0 DFADRP CC[NH+]1CCC(C[NH2+][C@H]2CCC[C@H](c3ccnn3C)C2)CC1 ZINC000571508506 430633536 /nfs/dbraw/zinc/63/35/36/430633536.db2.gz CNAQZVVNIWWNEO-IRXDYDNUSA-N 2 0 304.482 2.768 20 0 DFADRP C[N@@H+]1CCCC[C@@H]1CCC(=O)N1CCC[NH+](C(C)(C)C)CC1 ZINC000554539507 430641292 /nfs/dbraw/zinc/64/12/92/430641292.db2.gz GLCOPGBTXGSTMT-MRXNPFEDSA-N 2 0 309.498 2.584 20 0 DFADRP Cc1cccc(OC[C@H](O)C[NH2+]CC[C@H](C)[NH+]2CCCCC2)c1 ZINC000571636884 430642351 /nfs/dbraw/zinc/64/23/51/430642351.db2.gz UDYDCYNAVLFBAF-ZWKOTPCHSA-N 2 0 320.477 2.589 20 0 DFADRP O[C@H](C[NH2+]C1CC[NH+](C2CCCCC2)CC1)CC(F)(F)F ZINC000571994216 430665059 /nfs/dbraw/zinc/66/50/59/430665059.db2.gz MUKUSPUHRBIYTQ-AWEZNQCLSA-N 2 0 308.388 2.686 20 0 DFADRP [NH3+][C@H]1CCC[C@H]([NH2+]CCc2cnc(SC3CCCC3)nc2)C1 ZINC000572257319 430678884 /nfs/dbraw/zinc/67/88/84/430678884.db2.gz MGQCKMCVLQGSFB-GJZGRUSLSA-N 2 0 320.506 2.913 20 0 DFADRP CCCn1ccnc1CCCN(C)Cc1nc(CC2CC2)no1 ZINC000639611622 430681447 /nfs/dbraw/zinc/68/14/47/430681447.db2.gz CVEVRNXVLPSCNU-UHFFFAOYSA-N 2 0 317.437 2.693 20 0 DFADRP COc1cncc(/C=C\CC[N@H+](C)C[C@H]2CCC[NH+](C)C2)c1 ZINC000572359503 430683759 /nfs/dbraw/zinc/68/37/59/430683759.db2.gz KWYXPHRYFRBQLU-DANOYGIBSA-N 2 0 303.450 2.767 20 0 DFADRP COc1cccc2c1CC[C@H]([NH2+][C@@H]1CC[N@@H+]3CCC[C@H]3C1)C2 ZINC000365251485 278035235 /nfs/dbraw/zinc/03/52/35/278035235.db2.gz XFUWTTLTOAOCMO-BBWFWOEESA-N 2 0 300.446 2.769 20 0 DFADRP C[NH+]1CCN(C[C@@H]([NH2+][C@@H]2CCC2(C)C)c2ccccc2)CC1 ZINC000556584644 430686703 /nfs/dbraw/zinc/68/67/03/430686703.db2.gz XZBGOGIBKGGGNL-QZTJIDSGSA-N 2 0 301.478 2.753 20 0 DFADRP C[C@@H]1CC[N@H+](CC[C@H]2CCC[NH+]2C)C[C@@H]1C(=O)OC(C)(C)C ZINC000572479854 430688377 /nfs/dbraw/zinc/68/83/77/430688377.db2.gz NDYZNWMMPWVPRB-OAGGEKHMSA-N 2 0 310.482 2.770 20 0 DFADRP C[C@H]1C[C@H](C)C[NH+](CCCCNC(=O)CCCC[NH+](C)C)C1 ZINC000572506785 430688757 /nfs/dbraw/zinc/68/87/57/430688757.db2.gz NNBVTUSAEJSGAV-IRXDYDNUSA-N 2 0 311.514 2.593 20 0 DFADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)[N@@H+]1CCC[C@H](CC(C)(C)C(N)=O)C1 ZINC000572392071 430685520 /nfs/dbraw/zinc/68/55/20/430685520.db2.gz HKGAZYYLNKCIIJ-ZACQAIPSSA-N 2 0 323.525 2.911 20 0 DFADRP Cc1c(F)cccc1NC(=O)CC[N@@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000572603094 430692033 /nfs/dbraw/zinc/69/20/33/430692033.db2.gz SVHCIFNBLLEETL-GOSISDBHSA-N 2 0 319.424 2.538 20 0 DFADRP C[NH+](C)[C@H](CN[C@@H]1CC[N@H+](C)[C@@H]2CCC[C@@H]21)C1CCCCC1 ZINC000556874960 430695400 /nfs/dbraw/zinc/69/54/00/430695400.db2.gz HRNARYJQZMABII-NCXUSEDFSA-N 2 0 307.526 2.959 20 0 DFADRP C[C@H]([NH2+]CC1(O)CC[NH+](C)CC1)c1ccc(C(F)(F)F)cc1 ZINC000266807691 278256046 /nfs/dbraw/zinc/25/60/46/278256046.db2.gz UNDNGXVASMWIMP-LBPRGKRZSA-N 2 0 316.367 2.813 20 0 DFADRP O=C(C[NH2+][C@H]1CCCC12CCCC2)NCC[NH+]1CCCCCC1 ZINC000572668741 430694506 /nfs/dbraw/zinc/69/45/06/430694506.db2.gz VYWDGDVLXCTLEC-KRWDZBQOSA-N 2 0 321.509 2.681 20 0 DFADRP [NH3+]C1C[C@H]2CCC[C@@H](C1)C2[NH2+]C1CCN(c2nccs2)CC1 ZINC000556932789 430696565 /nfs/dbraw/zinc/69/65/65/430696565.db2.gz LBRQHMPJPMJLQO-KKNUOHPOSA-N 2 0 320.506 2.608 20 0 DFADRP C[C@H](c1ccc(OC(F)(F)F)cc1)[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000109119950 278308684 /nfs/dbraw/zinc/30/86/84/278308684.db2.gz RJMLMTQIKJSAPW-RTXFEEFZSA-N 2 0 300.324 2.797 20 0 DFADRP C[C@H]([NH2+]CCCOc1cccc2cccnc21)[C@H]1CCC[NH2+]C1 ZINC000572951423 430698253 /nfs/dbraw/zinc/69/82/53/430698253.db2.gz QHOJPGJQLCDNPR-RDJZCZTQSA-N 2 0 313.445 2.981 20 0 DFADRP CCOc1cc2c(cc1C[NH2+][C@@H]1CCC[C@@H]([NH3+])C1)O[C@@H](C)C2 ZINC000573071969 430699725 /nfs/dbraw/zinc/69/97/25/430699725.db2.gz YJOSRMPVSDOLEA-APHBMKBZSA-N 2 0 304.434 2.768 20 0 DFADRP CC[NH+](CC)Cc1ccc(C(=O)NC(C)(C)C[NH+]2CCCC2)o1 ZINC000654521608 430721292 /nfs/dbraw/zinc/72/12/92/430721292.db2.gz GFMHALMAIVHPDI-UHFFFAOYSA-N 2 0 321.465 2.726 20 0 DFADRP Cc1cc(Cl)ccc1C[NH2+]C1CCN([C@@H]2CCOC2)CC1 ZINC000657752212 430725389 /nfs/dbraw/zinc/72/53/89/430725389.db2.gz NLEZJFXURVAKOL-QGZVFWFLSA-N 2 0 308.853 2.991 20 0 DFADRP CN(Cc1ccccc1)C[C@@H](O)C[NH2+]C[C@@H]1C[C@H]1c1ccccc1 ZINC000644654600 430781542 /nfs/dbraw/zinc/78/15/42/430781542.db2.gz KMELKTYLFFNKNP-ACRUOGEOSA-N 2 0 324.468 2.873 20 0 DFADRP CC(C)(C)c1ncc(C[NH2+]CC2CC[NH+](CC3CC3)CC2)cn1 ZINC000657814723 430743060 /nfs/dbraw/zinc/74/30/60/430743060.db2.gz KZVOIBDDNUWIKC-UHFFFAOYSA-N 2 0 316.493 2.986 20 0 DFADRP O[C@H](C[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1)Cc1ccc2ccccc2c1 ZINC000644524040 430743749 /nfs/dbraw/zinc/74/37/49/430743749.db2.gz NAWQVCIIIRSMRM-HKBOAZHASA-N 2 0 324.468 2.960 20 0 DFADRP COc1cc(C)c(C[NH2+]CC2CC[NH+](CC3CC3)CC2)c(C)n1 ZINC000657812880 430744954 /nfs/dbraw/zinc/74/49/54/430744954.db2.gz JRUZDKQAFLAGQE-UHFFFAOYSA-N 2 0 317.477 2.919 20 0 DFADRP CN1CCC[C@H]([NH2+][C@H](C[C@@H]2CCOC2)c2ccc(F)cc2)C1 ZINC000644533900 430747053 /nfs/dbraw/zinc/74/70/53/430747053.db2.gz PJYYCRNFPOKNLW-JCGIZDLHSA-N 2 0 306.425 2.977 20 0 DFADRP Cc1cccn2cc(CC[NH2+][C@H](Cn3cccn3)C(C)C)nc12 ZINC000651241180 430748006 /nfs/dbraw/zinc/74/80/06/430748006.db2.gz SXEDAMRXHUUUJX-QGZVFWFLSA-N 2 0 311.433 2.696 20 0 DFADRP COC[C@H](CC1CCOCC1)[NH2+]C1CC[NH+](CC(C)C)CC1 ZINC000657831941 430748902 /nfs/dbraw/zinc/74/89/02/430748902.db2.gz GTQRYWUQQFOGDU-SFHVURJKSA-N 2 0 312.498 2.528 20 0 DFADRP Fc1cc(C[NH2+][C@H]2CCCn3nccc32)ccc1-n1ccnc1 ZINC000657850674 430752627 /nfs/dbraw/zinc/75/26/27/430752627.db2.gz KHNWUKPJLKDQIP-HNNXBMFYSA-N 2 0 311.364 2.833 20 0 DFADRP C[C@H]([NH2+]CCC(=O)Nc1cccc(Cl)c1)C1CC[NH+](C)CC1 ZINC000644563131 430754179 /nfs/dbraw/zinc/75/41/79/430754179.db2.gz NEYDJLLBBUNGMB-ZDUSSCGKSA-N 2 0 323.868 2.989 20 0 DFADRP Cc1ccc(OC[C@H](O)C[NH2+][C@@H](CC[NH+](C)C)C(C)(C)C)cc1 ZINC000644569921 430756778 /nfs/dbraw/zinc/75/67/78/430756778.db2.gz OSBKQTDUIPQDAT-AEFFLSMTSA-N 2 0 322.493 2.691 20 0 DFADRP C[NH+]1CCC(N2CC[C@@H]([NH2+][C@@H]3[C@@H]4CCC[C@@H]4C3(C)C)C2)CC1 ZINC000657881959 430759653 /nfs/dbraw/zinc/75/96/53/430759653.db2.gz ZZRSVLVCBKCOSX-NRSFXHEJSA-N 2 0 305.510 2.569 20 0 DFADRP C[C@@H]([NH2+]CCN1CCC([NH+](C)C)CC1)c1cc2cnccc2o1 ZINC000657897057 430763608 /nfs/dbraw/zinc/76/36/08/430763608.db2.gz DIHFXVDARSZPMA-CQSZACIVSA-N 2 0 316.449 2.504 20 0 DFADRP c1cc(N2CCC(C[NH2+][C@@H]3COC4(CCC4)C3)CC2)cc[nH+]1 ZINC000657909507 430764504 /nfs/dbraw/zinc/76/45/04/430764504.db2.gz NESGALSZRNJTTP-INIZCTEOSA-N 2 0 301.434 2.599 20 0 DFADRP COC1([C@H](C)[NH2+]CC2CCN(c3cc[nH+]cc3)CC2)CCC1 ZINC000657910721 430764560 /nfs/dbraw/zinc/76/45/60/430764560.db2.gz WVWQUZIDUCQEGI-HNNXBMFYSA-N 2 0 303.450 2.845 20 0 DFADRP CN(Cc1ccccc1)C[C@H](O)C[NH2+][C@@H]1CCCC(F)(F)C1 ZINC000644602135 430767768 /nfs/dbraw/zinc/76/77/68/430767768.db2.gz KBNWCCFTRGWOMC-HZPDHXFCSA-N 2 0 312.404 2.647 20 0 DFADRP O=C(CC[NH2+][C@H]1CCc2nc[nH]c2C1)Nc1ccc(Cl)cc1 ZINC000644650815 430778614 /nfs/dbraw/zinc/77/86/14/430778614.db2.gz PNTRYYKTFXXAND-ZDUSSCGKSA-N 2 0 318.808 2.539 20 0 DFADRP CN(Cc1ccccc1)C[C@H](O)C[NH2+]C1CC(C(C)(C)C)C1 ZINC000644654463 430780651 /nfs/dbraw/zinc/78/06/51/430780651.db2.gz RHXSLUFIQMHWOY-DAWZGUTISA-N 2 0 304.478 2.894 20 0 DFADRP C[C@@H](CN(C)CCC[NH+](C)C)[NH2+][C@@H](C)c1ccccc1N(C)C ZINC000658107665 430812538 /nfs/dbraw/zinc/81/25/38/430812538.db2.gz MSOKHWIUWIZDAF-IRXDYDNUSA-N 2 0 320.525 2.675 20 0 DFADRP C[C@@H]([NH2+][C@@H](C)CN(C)CCC[NH+](C)C)c1ccncc1Cl ZINC000658108762 430814400 /nfs/dbraw/zinc/81/44/00/430814400.db2.gz RXHPTUHIBGPPGE-UONOGXRCSA-N 2 0 312.889 2.658 20 0 DFADRP Cc1ccc([C@@H](C)[NH2+][C@@H](C)CN(C)CCC[NH+](C)C)c(C)n1 ZINC000658109280 430815040 /nfs/dbraw/zinc/81/50/40/430815040.db2.gz VCEAAXDJHMCXFE-DOTOQJQBSA-N 2 0 306.498 2.621 20 0 DFADRP C[C@@H](CN(C)CCC[NH+](C)C)[NH2+][C@H]1Cc2ccc(Cl)cc2C1 ZINC000658109251 430815180 /nfs/dbraw/zinc/81/51/80/430815180.db2.gz SOHGXZBWNCECNT-KSSFIOAISA-N 2 0 323.912 2.669 20 0 DFADRP O[C@]12C[C@H]1C[N@H+](Cc1ccc(C[NH+]3CCCCC3)cc1)CC2 ZINC000661720070 430819797 /nfs/dbraw/zinc/81/97/97/430819797.db2.gz GUAJGIBWTRWJFP-RBUKOAKNSA-N 2 0 300.446 2.629 20 0 DFADRP O[C@H]1CC[N@H+](Cc2ccc(C[NH2+][C@H](C3CC3)C3CCC3)cc2)C1 ZINC000658139845 430823383 /nfs/dbraw/zinc/82/33/83/430823383.db2.gz TTWZTYNXAZIKJQ-PMACEKPBSA-N 2 0 314.473 2.922 20 0 DFADRP CC1(C)CO[C@@H](c2cccc(F)c2)CN1CCn1ccnc1 ZINC000661735921 430823646 /nfs/dbraw/zinc/82/36/46/430823646.db2.gz KNEQDDYXYBAVHW-MRXNPFEDSA-N 2 0 303.381 2.874 20 0 DFADRP C[C@@H](CC1CCC1)[NH2+]Cc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1 ZINC000658141584 430823700 /nfs/dbraw/zinc/82/37/00/430823700.db2.gz SMBSHPWQXPMMCP-HNAYVOBHSA-N 2 0 302.462 2.922 20 0 DFADRP Cc1cccc(CN(C)[C@@H]2CC[N@@H+](C3CCN(C)CC3)C2)c1F ZINC000648586037 430830129 /nfs/dbraw/zinc/83/01/29/430830129.db2.gz YQBJCUWSHHYOIB-GOSISDBHSA-N 2 0 319.468 2.734 20 0 DFADRP C[C@@H]([NH2+]CC1CC[NH+](Cc2ccncc2)CC1)C1CCOCC1 ZINC000658166816 430833791 /nfs/dbraw/zinc/83/37/91/430833791.db2.gz PHMBGTGNCVOWBP-MRXNPFEDSA-N 2 0 317.477 2.698 20 0 DFADRP FCC1(CF)CC([NH2+]CC2CC[NH+](Cc3ccncc3)CC2)C1 ZINC000658165958 430834018 /nfs/dbraw/zinc/83/40/18/430834018.db2.gz TZEWOFNSNAIRIK-UHFFFAOYSA-N 2 0 323.431 2.971 20 0 DFADRP CC[C@@H]1C[C@H]([NH2+]Cc2ccccc2OCC[NH+](C)C)CCO1 ZINC000648438095 430786673 /nfs/dbraw/zinc/78/66/73/430786673.db2.gz LECLSNOWTHCYTO-IAGOWNOFSA-N 2 0 306.450 2.674 20 0 DFADRP CC[C@@H]1C[C@H]([NH2+]CCc2ccc(OCC[NH+](C)C)cc2)CCO1 ZINC000648446906 430790513 /nfs/dbraw/zinc/79/05/13/430790513.db2.gz IBNUHSLMCRONIU-QZTJIDSGSA-N 2 0 320.477 2.717 20 0 DFADRP OC[C@@H]1CCC[N@@H+]1CCCC[NH2+][C@@H]1CCCc2ccccc2C1 ZINC000648454327 430793323 /nfs/dbraw/zinc/79/33/23/430793323.db2.gz COOCNHGWYNVRKU-UXHICEINSA-N 2 0 316.489 2.761 20 0 DFADRP COC[C@H](CC[NH2+][C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1)OC ZINC000658086027 430805854 /nfs/dbraw/zinc/80/58/54/430805854.db2.gz SYGQOBDXAMKLJV-UHOSZYNNSA-N 2 0 320.477 2.538 20 0 DFADRP CC[C@H]([NH2+][C@@H](C)CN1CC[NH+](C)CC1)c1cc(F)ccc1F ZINC000154953785 288059402 /nfs/dbraw/zinc/05/94/02/288059402.db2.gz GRXRLOQUALFXSA-GUYCJALGSA-N 2 0 311.420 2.641 20 0 DFADRP C[C@@H]1CCCCC[C@H]1[NH2+]Cc1ccnc(N2CC[NH+](C)CC2)c1 ZINC000651679286 430847014 /nfs/dbraw/zinc/84/70/14/430847014.db2.gz VYAWPDXUADHOBY-SJLPKXTDSA-N 2 0 316.493 2.892 20 0 DFADRP C[C@H]([NH2+][C@@H]1C[C@H](O)C12CCC2)c1cccc(OCC[NH+](C)C)c1 ZINC000658254450 430852510 /nfs/dbraw/zinc/85/25/10/430852510.db2.gz NSKGVFAALCNBQF-QGTPRVQTSA-N 2 0 318.461 2.581 20 0 DFADRP c1cc2cc(C[NH2+][C@@H]3CCOC[C@@H]3[C@@H]3CCC[NH2+]3)ccc2o1 ZINC000665238132 430864064 /nfs/dbraw/zinc/86/40/64/430864064.db2.gz RGOQDYQAJVXJNY-IXDOHACOSA-N 2 0 300.402 2.680 20 0 DFADRP [NH3+]C1(C[NH2+]C2CCN(c3ccc(F)cc3F)CC2)CCCC1 ZINC000665248901 430867975 /nfs/dbraw/zinc/86/79/75/430867975.db2.gz FOBSQIDEXGSPCL-UHFFFAOYSA-N 2 0 309.404 2.795 20 0 DFADRP CC(C)(C)[NH+]1CCC(N[C@@H]2C[NH2+]CC[C@@H]2c2ccccc2)CC1 ZINC000665250198 430868825 /nfs/dbraw/zinc/86/88/25/430868825.db2.gz KGVITHIJJRNBNX-RTBURBONSA-N 2 0 315.505 2.985 20 0 DFADRP C[C@H](NCC1([NH3+])CCCC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000665247894 430869073 /nfs/dbraw/zinc/86/90/73/430869073.db2.gz LKFGEAISUVVXQD-FUHWJXTLSA-N 2 0 301.478 2.758 20 0 DFADRP C[C@@H]1CCC[C@H](C[NH2+][C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)O1 ZINC000665264852 430874366 /nfs/dbraw/zinc/87/43/66/430874366.db2.gz JLEWLQKAIMSIJD-RRIFGTCXSA-N 2 0 316.445 2.790 20 0 DFADRP COc1cc(OC)c(C[NH2+]CC2CC[NH+](C3CC3)CC2)cc1F ZINC000651787547 430875037 /nfs/dbraw/zinc/87/50/37/430875037.db2.gz WQLFTZWUKRIBLX-UHFFFAOYSA-N 2 0 322.424 2.807 20 0 DFADRP C[C@@H](COc1c(F)cccc1F)[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000665261805 430875306 /nfs/dbraw/zinc/87/53/06/430875306.db2.gz LWOGXKIFJRHMIM-RFQIPJPRSA-N 2 0 310.388 2.710 20 0 DFADRP COC[C@@H](CC(C)(C)C)[NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1 ZINC000651786127 430875349 /nfs/dbraw/zinc/87/53/49/430875349.db2.gz LYHFHAMPFPVOHQ-JKSUJKDBSA-N 2 0 300.487 2.528 20 0 DFADRP c1ccc([C@@H]2CO[C@H](C[NH2+][C@@H]3CC[C@@H]4C[NH2+]C[C@H]4C3)C2)cc1 ZINC000665263269 430875497 /nfs/dbraw/zinc/87/54/97/430875497.db2.gz JKAOTCPNCHTCDF-FQBWVUSXSA-N 2 0 300.446 2.537 20 0 DFADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]C[C@H]2CCOC2(C)C)[C@H](C)C1 ZINC000658331193 430876247 /nfs/dbraw/zinc/87/62/47/430876247.db2.gz MBBQJLZVHZQYDE-ZACQAIPSSA-N 2 0 312.498 2.528 20 0 DFADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+][C@H](C)CN1CCC(C)CC1 ZINC000665273284 430878149 /nfs/dbraw/zinc/87/81/49/430878149.db2.gz SYNSVRUQVCAXNS-CABCVRRESA-N 2 0 304.482 2.620 20 0 DFADRP CNC(=O)CC1(C[NH2+][C@H](C)C[C@H]2CCCCC[NH2+]2)CCCCC1 ZINC000665275514 430878521 /nfs/dbraw/zinc/87/85/21/430878521.db2.gz MFAAZKFKRCZRGC-IAGOWNOFSA-N 2 0 323.525 2.973 20 0 DFADRP CCO[C@@H]1C[C@H]([NH2+]CC[C@@H]([NH3+])C(C)C)[C@@H]1Oc1ccccc1 ZINC000665281568 430880221 /nfs/dbraw/zinc/88/02/21/430880221.db2.gz GYIQGHLDMGMGBE-XDNAFOTISA-N 2 0 306.450 2.574 20 0 DFADRP CO[C@H]1C[C@H]2C[C@H]([NH2+]CC3CC[NH+](CC4CC4)CC3)C[C@H]2C1 ZINC000658352120 430883157 /nfs/dbraw/zinc/88/31/57/430883157.db2.gz DBKCRQOONOIRMF-MKQMEDFFSA-N 2 0 306.494 2.902 20 0 DFADRP CC(C)[NH+]1CCC([NH2+]C[C@H]2CCN2Cc2ccccc2)CC1 ZINC000658348407 430883540 /nfs/dbraw/zinc/88/35/40/430883540.db2.gz PMZWOONQLOEUPD-LJQANCHMSA-N 2 0 301.478 2.723 20 0 DFADRP CC(C)(C)[C@@H]1CCC[C@@H]([NH2+]Cc2nc(C[NH3+])cc(=O)[nH]2)CC1 ZINC000665291673 430887032 /nfs/dbraw/zinc/88/70/32/430887032.db2.gz HSEJDJSXFDAXFE-CHWSQXEVSA-N 2 0 306.454 2.726 20 0 DFADRP COc1ccc(-c2cc(CN[C@@H]3CC[N@H+](C)[C@@H](C)C3)on2)cc1 ZINC000658188261 430837840 /nfs/dbraw/zinc/83/78/40/430837840.db2.gz PSTRJINQDIGENX-DZGCQCFKSA-N 2 0 315.417 2.923 20 0 DFADRP Cn1cc(C[C@H]2CCC[C@@H]2[NH2+]CC[C@H]2CCCC[N@@H+]2C)cn1 ZINC000661779904 430838837 /nfs/dbraw/zinc/83/88/37/430838837.db2.gz OLEREKMMSKBHFD-KURKYZTESA-N 2 0 304.482 2.595 20 0 DFADRP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@@H+]2Cc1cccc2c1CCC2 ZINC000651651115 430839840 /nfs/dbraw/zinc/83/98/40/430839840.db2.gz LZPVPMJQLHHVON-RLLQIKCJSA-N 2 0 314.473 2.859 20 0 DFADRP CC(C)(C[NH2+][C@@H]1CCOC[C@H]1[C@H]1CCC[NH2+]1)CC(F)(F)F ZINC000665301497 430891204 /nfs/dbraw/zinc/89/12/04/430891204.db2.gz YVEVRJCERSJQKZ-YNEHKIRRSA-N 2 0 308.388 2.712 20 0 DFADRP CC(C)C[N@H+](C)CCC[NH2+]Cc1ccc(-n2ccnc2)cc1 ZINC000651866655 430897864 /nfs/dbraw/zinc/89/78/64/430897864.db2.gz MPQIKHOYYXXMBY-UHFFFAOYSA-N 2 0 300.450 2.940 20 0 DFADRP CC[NH+](CC)Cc1ccc(NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)cc1 ZINC000648875400 430921484 /nfs/dbraw/zinc/92/14/84/430921484.db2.gz MOASBJHUDZFWJW-RHSMWYFYSA-N 2 0 303.450 2.807 20 0 DFADRP c1cc([C@@H]2C[C@H]([NH2+][C@@H]3CC[N@@H+]4CCC[C@@H]4C3)CCO2)ccn1 ZINC000651966100 430927436 /nfs/dbraw/zinc/92/74/36/430927436.db2.gz PDUVMBPBWWJLPG-TVFCKZIOSA-N 2 0 301.434 2.518 20 0 DFADRP c1cc([C@@H]2C[C@H]([NH2+][C@@H]3CC[N@@H+]4CCC[C@H]4C3)CCO2)ccn1 ZINC000651966097 430928570 /nfs/dbraw/zinc/92/85/70/430928570.db2.gz PDUVMBPBWWJLPG-BDXSIMOUSA-N 2 0 301.434 2.518 20 0 DFADRP COc1ccc(COCC[N@@H+]2CC[C@@]3(C2)CCC[NH+](C)C3)cc1 ZINC000645188566 430929213 /nfs/dbraw/zinc/92/92/13/430929213.db2.gz WSCMTOICHFKLPD-IBGZPJMESA-N 2 0 318.461 2.630 20 0 DFADRP COc1ccc(COCC[N@@H+]2CC[C@]3(C2)CCC[NH+](C)C3)cc1 ZINC000645188567 430929975 /nfs/dbraw/zinc/92/99/75/430929975.db2.gz WSCMTOICHFKLPD-LJQANCHMSA-N 2 0 318.461 2.630 20 0 DFADRP CC(C)C[C@@H]([NH2+]CC1(O)CC[NH+](C)CC1)c1ccc(F)cc1 ZINC000652154177 430974987 /nfs/dbraw/zinc/97/49/87/430974987.db2.gz YVDQKKDKPHIDMJ-QGZVFWFLSA-N 2 0 308.441 2.959 20 0 DFADRP CC[C@H](c1ccc(F)cc1)N1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000662153829 430980949 /nfs/dbraw/zinc/98/09/49/430980949.db2.gz CVFHPZDMVUFYFY-ZWKOTPCHSA-N 2 0 306.425 2.808 20 0 DFADRP O[C@@H]1CC[N@@H+](C2CC[NH+](CC[C@@H]3CCc4ccccc43)CC2)C1 ZINC000662148407 430981224 /nfs/dbraw/zinc/98/12/24/430981224.db2.gz KAPZEGGXCMJYHF-PKOBYXMFSA-N 2 0 314.473 2.638 20 0 DFADRP Cc1cc(Cl)ccc1CN1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000662152731 430981929 /nfs/dbraw/zinc/98/19/29/430981929.db2.gz YKTSNWXAYFZUCJ-KRWDZBQOSA-N 2 0 308.853 2.679 20 0 DFADRP O[C@H]1CC[N@@H+](C2CC[NH+](Cc3cccc4ccccc43)CC2)C1 ZINC000662159331 430983224 /nfs/dbraw/zinc/98/32/24/430983224.db2.gz YCWCTIBCEFEJPH-IBGZPJMESA-N 2 0 310.441 2.871 20 0 DFADRP Cc1cc(N2CCOC3(CC[NH+](C)CC3)C2)c2ccccc2[nH+]1 ZINC000645384904 430987299 /nfs/dbraw/zinc/98/72/99/430987299.db2.gz LPQOSNQXMXUHSX-UHFFFAOYSA-N 2 0 311.429 2.844 20 0 DFADRP CC(C)[NH+]1CCN(CCC[N@H+](CCC2CC2)CC2CC2)CC1 ZINC000662177325 430989442 /nfs/dbraw/zinc/98/94/42/430989442.db2.gz DLHCHFLHPZPXGB-UHFFFAOYSA-N 2 0 307.526 2.915 20 0 DFADRP CC(C)[NH2+]CC(=O)NCc1ccccc1C[NH+]1CCCCCC1 ZINC000659286017 431011781 /nfs/dbraw/zinc/01/17/81/431011781.db2.gz VXGMJCHZDIUMJU-UHFFFAOYSA-N 2 0 317.477 2.677 20 0 DFADRP CC(C)[NH2+]CC(=O)NC[C@H](c1cccs1)[NH+]1CCC(C)CC1 ZINC000659263485 431002330 /nfs/dbraw/zinc/00/23/30/431002330.db2.gz ZYDLZOWXMJHWRM-OAHLLOKOSA-N 2 0 323.506 2.635 20 0 DFADRP C[C@@H]1[NH2+]CC[C@H]1C(=O)Nc1cccc(C[NH+]2CCCCC2)c1 ZINC000645465122 431009153 /nfs/dbraw/zinc/00/91/53/431009153.db2.gz GLTOOOFEVRKRAU-WMLDXEAASA-N 2 0 301.434 2.609 20 0 DFADRP Fc1ccc([C@@H]([NH2+]C[C@H]2CCC3(C[NH2+]C3)O2)C2CCC2)cc1 ZINC000662259497 431020445 /nfs/dbraw/zinc/02/04/45/431020445.db2.gz YFZBWILPGNUAGH-SJORKVTESA-N 2 0 304.409 2.778 20 0 DFADRP Cc1nccn1[C@H]1CCC[N@H+](Cc2ccc3c(c2)C[NH2+]CC3)C1 ZINC000652339342 431025110 /nfs/dbraw/zinc/02/51/10/431025110.db2.gz OODNPSYZMMEERO-IBGZPJMESA-N 2 0 310.445 2.674 20 0 DFADRP c1ccc(C[C@H]2COCC[N@@H+]2Cc2ccc3c(c2)C[NH2+]CC3)cc1 ZINC000652337131 431025987 /nfs/dbraw/zinc/02/59/87/431025987.db2.gz MLBAKSLMXXUMFE-NRFANRHFSA-N 2 0 322.452 2.776 20 0 DFADRP Cn1ccnc1C[N@H+](CCC1CCC1)[C@@H]1CC12CC[NH2+]CC2 ZINC000662270015 431026010 /nfs/dbraw/zinc/02/60/10/431026010.db2.gz KTMTYHWHWMDDCH-MRXNPFEDSA-N 2 0 302.466 2.554 20 0 DFADRP Cc1ccc(NC(=O)[C@H](C)N2C[C@@H]3CCC[C@]3(C[NH3+])C2)cc1C ZINC000652351516 431027431 /nfs/dbraw/zinc/02/74/31/431027431.db2.gz BZYLVDLXHDKTEB-BXWFABGCSA-N 2 0 315.461 2.691 20 0 DFADRP C[C@H](c1nc(-c2ccccc2)no1)N1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000652351188 431027532 /nfs/dbraw/zinc/02/75/32/431027532.db2.gz LJSQMPVACROSFF-XUWXXGDYSA-N 2 0 312.417 2.858 20 0 DFADRP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCC[N@H+](CCCc3ccsc3)C2)C1 ZINC000652349312 431027820 /nfs/dbraw/zinc/02/78/20/431027820.db2.gz KGFWIRBAECBDFV-BRWVUGGUSA-N 2 0 308.491 2.899 20 0 DFADRP Cc1cc(C[N@@H+]2CCCC[C@H]2[C@H](C[NH3+])Cc2ccccc2)ncn1 ZINC000662271720 431027961 /nfs/dbraw/zinc/02/79/61/431027961.db2.gz YOABRJXSYVEQBO-ICSRJNTNSA-N 2 0 324.472 2.957 20 0 DFADRP CCC(C)(C)[NH+]1CCN(C(=O)[C@H](C)[C@H]([NH3+])c2ccccc2)CC1 ZINC000655494842 431028975 /nfs/dbraw/zinc/02/89/75/431028975.db2.gz OQNPSIBNUDOSON-WBVHZDCISA-N 2 0 317.477 2.655 20 0 DFADRP CCC(C)(C)[NH+]1CCN(C(=O)CC[C@@H]([NH3+])c2ccccc2)CC1 ZINC000655495501 431029366 /nfs/dbraw/zinc/02/93/66/431029366.db2.gz ZZKJIOJOCSRHGK-QGZVFWFLSA-N 2 0 317.477 2.799 20 0 DFADRP c1cc(C[N@@H+]2CC[C@@H](C3CCOCC3)C2)c2c(c1)C[NH2+]CC2 ZINC000662278296 431030028 /nfs/dbraw/zinc/03/00/28/431030028.db2.gz DVWHRKHXAPQTIX-QGZVFWFLSA-N 2 0 300.446 2.581 20 0 DFADRP c1ccc2c(CC[N@H+]3CC[C@H]4C[NH2+]C[C@H]4CC3)nsc2c1 ZINC000662273542 431030067 /nfs/dbraw/zinc/03/00/67/431030067.db2.gz ODIZOWQSCDLCSO-OKILXGFUSA-N 2 0 301.459 2.770 20 0 DFADRP CCc1nc2c(s1)[C@H]([N@H+](C)C[C@@H]1CCC3(C[NH2+]C3)O1)CCC2 ZINC000662278277 431030982 /nfs/dbraw/zinc/03/09/82/431030982.db2.gz DPJVIZXFDMVZFC-GXTWGEPZSA-N 2 0 321.490 2.536 20 0 DFADRP CC(C)(C)c1ccc2c(c1)C[N@@H+](C[C@@H]1CCC3(C[NH2+]C3)O1)CC2 ZINC000662281718 431032506 /nfs/dbraw/zinc/03/25/06/431032506.db2.gz ZPFMNEFSOMRMGS-SFHVURJKSA-N 2 0 314.473 2.863 20 0 DFADRP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCC[N@@H+]2Cc2ccncc2Cl)C1 ZINC000652363325 431032664 /nfs/dbraw/zinc/03/26/64/431032664.db2.gz AZKSSNLFJDKISO-KBMXLJTQSA-N 2 0 309.841 2.596 20 0 DFADRP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCC[N@@H+]2Cc2c(F)cccc2F)C1 ZINC000652363718 431032830 /nfs/dbraw/zinc/03/28/30/431032830.db2.gz LVLSRJXQEKDJQB-JLZZUVOBSA-N 2 0 310.388 2.826 20 0 DFADRP CO[C@H](C[NH+]1CCC([C@@H]2OCCC[C@H]2[NH3+])CC1)c1ccccc1 ZINC000662282386 431033160 /nfs/dbraw/zinc/03/31/60/431033160.db2.gz UIYYZGYKVGZKNU-QRVBRYPASA-N 2 0 318.461 2.592 20 0 DFADRP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCC[N@@H+]2Cc2c(F)cccc2F)C1 ZINC000652363719 431033382 /nfs/dbraw/zinc/03/33/82/431033382.db2.gz LVLSRJXQEKDJQB-OAUYIBNBSA-N 2 0 310.388 2.826 20 0 DFADRP CC[C@@H](CC(F)F)C[NH+]1CCC(n2ncc3c2C[NH2+]C3)CC1 ZINC000662283085 431033541 /nfs/dbraw/zinc/03/35/41/431033541.db2.gz KKXLQPMQGPVCGW-LBPRGKRZSA-N 2 0 312.408 2.805 20 0 DFADRP FC1(F)CCCC[C@@H]1C[N@@H+]1CC2(CC[NH2+]CC2)[C@@H]2COC[C@@H]21 ZINC000662280394 431033671 /nfs/dbraw/zinc/03/36/71/431033671.db2.gz DBBSCMZRUVOXNW-KFWWJZLASA-N 2 0 314.420 2.512 20 0 DFADRP c1cc(C[NH2+][C@H]2CCCC23CCOCC3)c2c(c1)C[NH2+]CC2 ZINC000662284729 431033686 /nfs/dbraw/zinc/03/36/86/431033686.db2.gz ZMWBXRPQJMMERL-SFHVURJKSA-N 2 0 300.446 2.771 20 0 DFADRP c1coc(-c2noc(C[N@@H+]3CCC[C@H](C4CC[NH2+]CC4)C3)n2)c1 ZINC000662295187 431037435 /nfs/dbraw/zinc/03/74/35/431037435.db2.gz FURGUBHGICNGEA-AWEZNQCLSA-N 2 0 316.405 2.541 20 0 DFADRP c1cc(C[NH+]2CCC([C@H]3CCC[NH2+]C3)CC2)c2c(c1)C[NH2+]CC2 ZINC000662295174 431038116 /nfs/dbraw/zinc/03/81/16/431038116.db2.gz UBCJQJLVFWIRDQ-KRWDZBQOSA-N 3 0 313.489 2.544 20 0 DFADRP CC(C)c1noc([C@@H](C)[N@@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)n1 ZINC000662295906 431038546 /nfs/dbraw/zinc/03/85/46/431038546.db2.gz IQWYIGPLHSVWEF-UKRRQHHQSA-N 2 0 306.454 2.966 20 0 DFADRP C[C@@H]1CCCN(C(=O)CC[C@@H]([NH3+])c2ccccc2)[C@@H]1CCC[NH3+] ZINC000659377129 431042606 /nfs/dbraw/zinc/04/26/06/431042606.db2.gz UKKMOFAYDOSKKH-KBAYOESNSA-N 2 0 317.477 2.833 20 0 DFADRP [NH3+][C@@H](Cc1ccccc1)[C@@H](O)C[N@@H+]1CCCC[C@H]1CC1CCC1 ZINC000662318748 431044522 /nfs/dbraw/zinc/04/45/22/431044522.db2.gz FVWIGQHFXRZGEH-UFYCRDLUSA-N 2 0 316.489 2.962 20 0 DFADRP C[C@@H]1CCC[N@H+](Cc2ncnn2-c2ccccc2)[C@@H]1CCC[NH3+] ZINC000662317572 431045122 /nfs/dbraw/zinc/04/51/22/431045122.db2.gz RQDNBIYCJDRCGT-NVXWUHKLSA-N 2 0 313.449 2.607 20 0 DFADRP CC[NH+](CC)Cc1ccc(C(=O)N[C@@](C)(C[NH3+])CC(C)C)o1 ZINC000649272945 431053796 /nfs/dbraw/zinc/05/37/96/431053796.db2.gz WTHHGFZUEYSULX-QGZVFWFLSA-N 2 0 309.454 2.615 20 0 DFADRP CC[NH+](CC)CCOc1ccccc1NC(=O)C[C@H]([NH3+])C(C)C ZINC000649284966 431058380 /nfs/dbraw/zinc/05/83/80/431058380.db2.gz PLQGFHUPSIIEID-HNNXBMFYSA-N 2 0 321.465 2.719 20 0 DFADRP [NH3+]C[C@@H]1CCC[C@@H]1C(=O)Nc1cccc(C[NH+]2CCCCC2)c1 ZINC000649295493 431060579 /nfs/dbraw/zinc/06/05/79/431060579.db2.gz OSHXDWIMYAJAKI-WMZOPIPTSA-N 2 0 315.461 2.986 20 0 DFADRP CCCC[NH+]1CCC(NC(=O)[C@@H]([NH3+])c2cccc(Cl)c2)CC1 ZINC000649311686 431063524 /nfs/dbraw/zinc/06/35/24/431063524.db2.gz FTWWWKAIZWTUCQ-INIZCTEOSA-N 2 0 323.868 2.721 20 0 DFADRP C[C@@H](NC(=O)CC[C@@H]([NH3+])CC1CCCCC1)C1CC[NH+](C)CC1 ZINC000649314659 431064467 /nfs/dbraw/zinc/06/44/67/431064467.db2.gz INDYZCXOJJODHU-CRAIPNDOSA-N 2 0 323.525 2.911 20 0 DFADRP CC[C@@H]([NH2+]C)C(=O)NCc1ccc(C[NH+]2CCC(C)CC2)cc1 ZINC000662375031 431065054 /nfs/dbraw/zinc/06/50/54/431065054.db2.gz QADWHGLRKVPKRW-GOSISDBHSA-N 2 0 317.477 2.533 20 0 DFADRP C[C@@H](NC(=O)C(C)(C)[C@@H]([NH3+])c1ccccc1)C1CC[NH+](C)CC1 ZINC000649314632 431065421 /nfs/dbraw/zinc/06/54/21/431065421.db2.gz HPHVXTRRLMWYIP-PBHICJAKSA-N 2 0 317.477 2.559 20 0 DFADRP C[C@H](C(=O)Nc1ccc(-c2c[nH]cn2)cc1)[N@@H+]1CC2CC1(C)C2 ZINC000662384901 431067355 /nfs/dbraw/zinc/06/73/55/431067355.db2.gz AQRNMCWUCFVDOS-WHENESEISA-N 2 0 310.401 2.888 20 0 DFADRP C[C@H]([NH2+]C(C)(C)CNC(=O)CCC(C)(C)[NH3+])c1ccccc1 ZINC000649322174 431067613 /nfs/dbraw/zinc/06/76/13/431067613.db2.gz CUMFWBLAXPZKJE-AWEZNQCLSA-N 2 0 305.466 2.750 20 0 DFADRP CC[NH+](CC)[C@H](C)CNC(=O)CC[C@@H]([NH3+])CC1CCCCC1 ZINC000645472769 431012402 /nfs/dbraw/zinc/01/24/02/431012402.db2.gz KTYKRGMNSOYCTA-NVXWUHKLSA-N 2 0 311.514 2.911 20 0 DFADRP CC(C)[NH2+]CC(=O)Nc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000659284428 431012583 /nfs/dbraw/zinc/01/25/83/431012583.db2.gz DNUIWDYMHIOWGO-OAHLLOKOSA-N 2 0 303.450 2.855 20 0 DFADRP CC[NH+](CC)[C@@H](C)CNC(=O)C(C)(C)[C@@H]([NH3+])c1ccccc1 ZINC000645472845 431012774 /nfs/dbraw/zinc/01/27/74/431012774.db2.gz MBAFQJOFUPVCHZ-HOCLYGCPSA-N 2 0 305.466 2.559 20 0 DFADRP COc1cccc(C[NH+]2CCC(OCCC[NH3+])CC2)c1Cl ZINC000662248054 431013592 /nfs/dbraw/zinc/01/35/92/431013592.db2.gz RPUWPMZIWWCCEG-UHFFFAOYSA-N 2 0 312.841 2.678 20 0 DFADRP C[C@H](CNC(=O)C[C@H]1[NH2+]Cc2ccccc21)[N@@H+]1CCCC[C@H]1C ZINC000659291465 431015010 /nfs/dbraw/zinc/01/50/10/431015010.db2.gz GUEXDCUJDVMHGN-IIDMSEBBSA-N 2 0 315.461 2.600 20 0 DFADRP Cc1ccc([C@@H]2CCC[N@@H+]2C[C@H]2CCC3(C[NH2+]C3)O2)cc1C ZINC000662253823 431015220 /nfs/dbraw/zinc/01/52/20/431015220.db2.gz WZIZKQMHEJCNQF-MSOLQXFVSA-N 2 0 300.446 2.961 20 0 DFADRP C[C@@H]1SCC[N@H+](C[C@H]2CCC3(C[NH2+]C3)O2)[C@H]1c1ccccc1 ZINC000662254979 431015406 /nfs/dbraw/zinc/01/54/06/431015406.db2.gz NDDBVYOZPUSBGL-USXIJHARSA-N 2 0 318.486 2.686 20 0 DFADRP c1ccc(C[C@@H]2COCC[N@@H+]2Cc2cccc3c2CC[NH2+]C3)cc1 ZINC000662251537 431016741 /nfs/dbraw/zinc/01/67/41/431016741.db2.gz GOHSVMMSWHZCSA-HXUWFJFHSA-N 2 0 322.452 2.776 20 0 DFADRP Cc1ccccc1[C@@H]1C[C@@H](C)[N@@H+](C[C@@H]2CCC3(C[NH2+]C3)O2)C1 ZINC000662258046 431017649 /nfs/dbraw/zinc/01/76/49/431017649.db2.gz WHKYVLRIFQGJJM-ZACQAIPSSA-N 2 0 300.446 2.694 20 0 DFADRP CC(C)[C@H](Cc1ccc(F)cc1)[N@H+](C)C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662257901 431018384 /nfs/dbraw/zinc/01/83/84/431018384.db2.gz SUFACQAURJPHBK-ROUUACIJSA-N 2 0 320.452 2.846 20 0 DFADRP Fc1ccccc1CC1CC[NH+](C[C@H]2CCC3(C[NH2+]C3)O2)CC1 ZINC000662256539 431018409 /nfs/dbraw/zinc/01/84/09/431018409.db2.gz JDKZSJLUJSUPGC-QGZVFWFLSA-N 2 0 318.436 2.601 20 0 DFADRP C[C@H](NC[C@H]1CCC[N@H+](Cc2ccccc2)C1)c1ccn(C)n1 ZINC000666086459 431111473 /nfs/dbraw/zinc/11/14/73/431111473.db2.gz SJXIXDWYOLCPAW-FUHWJXTLSA-N 2 0 312.461 2.983 20 0 DFADRP Cc1cc(C[NH+](C)C)cc(NC2CC[NH+]([C@@H]3CCOC3)CC2)c1 ZINC000655749109 431112120 /nfs/dbraw/zinc/11/21/20/431112120.db2.gz PJMWNIBBHILUIY-LJQANCHMSA-N 2 0 317.477 2.722 20 0 DFADRP [NH3+]CCCN(Cc1ccccc1)C(=O)C[C@@H]1[NH2+]Cc2ccccc21 ZINC000662558077 431116303 /nfs/dbraw/zinc/11/63/03/431116303.db2.gz AFEGNUCPZPNEHM-IBGZPJMESA-N 2 0 323.440 2.599 20 0 DFADRP CC(C)[C@@H]([NH3+])CC(=O)NCC(C)(C)[NH2+][C@H](C)c1ccccc1 ZINC000645927562 431117825 /nfs/dbraw/zinc/11/78/25/431117825.db2.gz SPUGYNZRLKEVSB-ZBFHGGJFSA-N 2 0 305.466 2.605 20 0 DFADRP C[N@@H+]1CCC[C@@H]1[C@@H]1CCCN1C(=O)CC[C@H]([NH3+])c1ccccc1 ZINC000645941453 431122163 /nfs/dbraw/zinc/12/21/63/431122163.db2.gz NDGMSRPRJOXKII-KSZLIROESA-N 2 0 315.461 2.552 20 0 DFADRP CC[NH2+]Cc1ccccc1NC(=O)c1cc2c(s1)CC[NH2+]C2 ZINC000662399668 431070742 /nfs/dbraw/zinc/07/07/42/431070742.db2.gz ZOQZUMAIIBYZBD-UHFFFAOYSA-N 2 0 315.442 2.756 20 0 DFADRP C[NH+](C)[C@@H](CNC(=O)C1CCC([NH3+])CC1)c1ccc(Cl)cc1 ZINC000649346517 431071113 /nfs/dbraw/zinc/07/11/13/431071113.db2.gz MXYPQBOWYYMATK-BCLQGDPASA-N 2 0 323.868 2.576 20 0 DFADRP C[N@@H+]1CCC[C@@H](CNC(=O)CCC(C)(C)[NH3+])[C@@H]1c1cccs1 ZINC000649340913 431071181 /nfs/dbraw/zinc/07/11/81/431071181.db2.gz AMILREJCCAWCOT-XJKSGUPXSA-N 2 0 323.506 2.765 20 0 DFADRP CC[NH2+]Cc1cccc(NC(=O)c2cc3c(s2)CC[NH2+]C3)c1 ZINC000662399577 431071552 /nfs/dbraw/zinc/07/15/52/431071552.db2.gz WNYISGQMGYSXLD-UHFFFAOYSA-N 2 0 315.442 2.756 20 0 DFADRP C[C@@H]([NH3+])c1ccc(C(=O)NC[C@@H]2CC[N@@H+](C(C)(C)C)C2)cc1 ZINC000662592708 431125332 /nfs/dbraw/zinc/12/53/32/431125332.db2.gz JQDDROOEVZWUGL-KGLIPLIRSA-N 2 0 303.450 2.557 20 0 DFADRP CC[NH+](CC)Cc1ccc(C(=O)N[C@@H]2CC[NH2+]C23CCCC3)o1 ZINC000649372834 431080466 /nfs/dbraw/zinc/08/04/66/431080466.db2.gz HRJJDWAPFMDBBU-MRXNPFEDSA-N 2 0 319.449 2.526 20 0 DFADRP [NH3+][C@@H]1CCCCCC[C@H]1C(=O)N1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000662589394 431125494 /nfs/dbraw/zinc/12/54/94/431125494.db2.gz YSHAGQWCIRUQHX-RCCFBDPRSA-N 2 0 321.509 2.522 20 0 DFADRP Cc1cc2c(c(C)c1)[C@@H]([NH2+]CCCC[NH+]1CCN(C)CC1)CC2 ZINC000655688881 431083330 /nfs/dbraw/zinc/08/33/30/431083330.db2.gz PDRBLPSPEDGBIM-IBGZPJMESA-N 2 0 315.505 2.908 20 0 DFADRP CC(C)C[C@@H](CNC(=O)C[NH2+]C(C)C)[NH2+][C@H](C)c1ccccc1 ZINC000662453522 431084797 /nfs/dbraw/zinc/08/47/97/431084797.db2.gz BPRVZNWEKWOMJB-AEFFLSMTSA-N 2 0 319.493 2.866 20 0 DFADRP CC[C@H]([NH2+]C)C(=O)NC[C@@H](CC(C)C)[NH2+][C@H](C)c1ccccc1 ZINC000662453431 431085479 /nfs/dbraw/zinc/08/54/79/431085479.db2.gz AEMCTLYRXXEPEQ-NXHRZFHOSA-N 2 0 319.493 2.866 20 0 DFADRP COc1ccccc1[C@H](C)[NH2+]C1CCN([C@H]2CCOC2)CC1 ZINC000655693324 431085872 /nfs/dbraw/zinc/08/58/72/431085872.db2.gz XGOXFTZKWGVNCD-HOCLYGCPSA-N 2 0 304.434 2.599 20 0 DFADRP CCN1C[C@@H](C[N@H+](C)CC[C@H]2CCC[NH2+]C2)Oc2ccccc21 ZINC000649411424 431093253 /nfs/dbraw/zinc/09/32/53/431093253.db2.gz WPNHOYXTYUTGBA-IAGOWNOFSA-N 2 0 317.477 2.595 20 0 DFADRP C(C[NH+]1CCC(C[NH+]2CCCCCC2)CC1)[C@H]1CCC[NH2+]C1 ZINC000649411631 431094337 /nfs/dbraw/zinc/09/43/37/431094337.db2.gz MKMBOUSCJCWRST-GOSISDBHSA-N 3 0 307.526 2.964 20 0 DFADRP COc1ccc([C@H](C[NH3+])C[N@@H+]2CCC[C@H]2c2ccccn2)cc1 ZINC000649411723 431094539 /nfs/dbraw/zinc/09/45/39/431094539.db2.gz ZHBFLMFZHIJING-APWZRJJASA-N 2 0 311.429 2.970 20 0 DFADRP CCCN(C[C@H]1CC[NH2+]C1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000649411910 431094562 /nfs/dbraw/zinc/09/45/62/431094562.db2.gz TVEYAQWXLWDVJN-PMACEKPBSA-N 2 0 315.505 2.973 20 0 DFADRP CCc1nc([C@@H](C)NC2CC[NH+]([C@H]3CCOC3)CC2)cs1 ZINC000655712263 431094627 /nfs/dbraw/zinc/09/46/27/431094627.db2.gz POKMZTFJIAZLOZ-OCCSQVGLSA-N 2 0 309.479 2.609 20 0 DFADRP c1ccc(CCN2CC[NH+](CCCC3CC[NH2+]CC3)CC2)cc1 ZINC000649411304 431094643 /nfs/dbraw/zinc/09/46/43/431094643.db2.gz GKJMTJWKGNNTFB-UHFFFAOYSA-N 2 0 315.505 2.627 20 0 DFADRP CCc1nc([C@H](C)NC2CC[NH+]([C@@H]3CCOC3)CC2)cs1 ZINC000655712261 431094641 /nfs/dbraw/zinc/09/46/41/431094641.db2.gz POKMZTFJIAZLOZ-GXTWGEPZSA-N 2 0 309.479 2.609 20 0 DFADRP CCc1nc([C@H](C)NC2CC[NH+]([C@H]3CCOC3)CC2)cs1 ZINC000655712262 431095018 /nfs/dbraw/zinc/09/50/18/431095018.db2.gz POKMZTFJIAZLOZ-JSGCOSHPSA-N 2 0 309.479 2.609 20 0 DFADRP C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)c1cccc2c1C[NH2+]C2 ZINC000662512322 431102761 /nfs/dbraw/zinc/10/27/61/431102761.db2.gz OMSHDXQAPPILHZ-OAHLLOKOSA-N 2 0 323.440 2.540 20 0 DFADRP CO[C@H](Cc1ccccc1)C[N@H+](C)C[C@@H]1CCc2nccn2C1 ZINC000649460711 431107771 /nfs/dbraw/zinc/10/77/71/431107771.db2.gz VRKRJYMDWOYUPH-ZWKOTPCHSA-N 2 0 313.445 2.635 20 0 DFADRP C[C@H]([NH2+]C1(CNC(=O)CCCC[NH3+])CCCC1)c1ccccc1 ZINC000645958875 431129762 /nfs/dbraw/zinc/12/97/62/431129762.db2.gz CZXJLCHRQYHNJK-INIZCTEOSA-N 2 0 317.477 2.895 20 0 DFADRP Cc1c[nH+]ccc1N1CCC(C[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000191980334 279027329 /nfs/dbraw/zinc/02/73/29/279027329.db2.gz FBXBHGFVHYBOHX-HOTGVXAUSA-N 2 0 303.450 2.716 20 0 DFADRP CC[NH+](CC)CCO[C@@H]1CCN(c2cc[nH+]c(C)c2Cl)C1 ZINC000354021281 279110237 /nfs/dbraw/zinc/11/02/37/279110237.db2.gz DIIAZOSJUHNSLZ-CQSZACIVSA-N 2 0 311.857 2.981 20 0 DFADRP CC[NH+](CC)Cc1cccc(NC(=O)[C@H]2CC23CC[NH2+]CC3)c1 ZINC000236939415 279138112 /nfs/dbraw/zinc/13/81/12/279138112.db2.gz RJDJPQQWVMBWIG-QGZVFWFLSA-N 2 0 315.461 2.857 20 0 DFADRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+][C@@H]1CCc2cc(Cl)ccc21 ZINC000186605397 279263390 /nfs/dbraw/zinc/26/33/90/279263390.db2.gz XTBMZDSBQHKTQN-RDTXWAMCSA-N 2 0 321.896 2.943 20 0 DFADRP C[C@H]1C[C@H](C)C[NH+](CCN2CCC(C[NH+]3CCCC3)CC2)C1 ZINC000659843373 431138976 /nfs/dbraw/zinc/13/89/76/431138976.db2.gz SJNBFAJKHBLPBB-ROUUACIJSA-N 2 0 307.526 2.772 20 0 DFADRP C[C@H](C[NH2+][C@@H]1c2cccc(F)c2CC[C@@H]1C)N1CC[NH+](C)CC1 ZINC000127347939 279351126 /nfs/dbraw/zinc/35/11/26/279351126.db2.gz LGQMDDPQLJBXPB-KHYOSLBOSA-N 2 0 319.468 2.675 20 0 DFADRP CCN(C(=O)CC1([NH3+])CC1)[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000662693876 431163966 /nfs/dbraw/zinc/16/39/66/431163966.db2.gz MKUQPRJFOBIGMI-WBVHZDCISA-N 2 0 315.461 2.552 20 0 DFADRP C[C@@H]([NH3+])c1ccc(C(=O)N[C@H](C)C[NH+]2CCC(C)CC2)cc1 ZINC000662694014 431165590 /nfs/dbraw/zinc/16/55/90/431165590.db2.gz NODVEPDOLDFCDQ-HUUCEWRRSA-N 2 0 303.450 2.557 20 0 DFADRP Cn1cc(-c2ccc(C[NH2+]C[C@H]3C[C@@H]([NH+](C)C)C3)s2)cn1 ZINC000655825112 431170273 /nfs/dbraw/zinc/17/02/73/431170273.db2.gz XHFLRHTUFBRDJA-XBXGTLAGSA-N 2 0 304.463 2.578 20 0 DFADRP Cc1nn2c(C[NH2+]C[C@H]3C[C@@H]([NH+](C)C)C3)c(C(C)C)nc2s1 ZINC000655826568 431170393 /nfs/dbraw/zinc/17/03/93/431170393.db2.gz JDHHKEYDMNSUBB-BETUJISGSA-N 2 0 321.494 2.652 20 0 DFADRP CCCn1c2ccccc2nc1C[NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000655827293 431172116 /nfs/dbraw/zinc/17/21/16/431172116.db2.gz QOFCBPZNORPYAC-GASCZTMLSA-N 2 0 300.450 2.876 20 0 DFADRP CC[C@@H]1CN(C[C@@H]2CCC[N@@H+]2C)CC[NH+]1Cc1ccccc1 ZINC000649586102 431175534 /nfs/dbraw/zinc/17/55/34/431175534.db2.gz SBDCNGUQKXQYTB-MOPGFXCFSA-N 2 0 301.478 2.677 20 0 DFADRP C[C@H](O)C[N@H+](C)C1CC[NH+](CC[C@H]2CCc3ccccc32)CC1 ZINC000659897595 431176350 /nfs/dbraw/zinc/17/63/50/431176350.db2.gz YKXPRKYJYZCOOI-FUHWJXTLSA-N 2 0 316.489 2.884 20 0 DFADRP C[C@@H]([NH2+]C1(CNC(=O)[C@H]2C[C@H]([NH3+])C2)CCCC1)c1ccccc1 ZINC000662730233 431177684 /nfs/dbraw/zinc/17/76/84/431177684.db2.gz WADDCKDNAOCFSC-DJIMGWMZSA-N 2 0 315.461 2.504 20 0 DFADRP CCCC[N@H+](CC)Cc1cccc(CNC(=O)CC2([NH3+])CC2)c1 ZINC000662752336 431182804 /nfs/dbraw/zinc/18/28/04/431182804.db2.gz IEAUTTGDOZWLIC-UHFFFAOYSA-N 2 0 317.477 2.806 20 0 DFADRP C[N@H+](CCN1CC[NH+](CC2CC=CC2)CC1)Cc1ccccc1 ZINC000659912683 431183321 /nfs/dbraw/zinc/18/33/21/431183321.db2.gz PACYOYVPNRGROX-UHFFFAOYSA-N 2 0 313.489 2.702 20 0 DFADRP CC[N@@H+]1CC[C@H](N(C)C(=O)C[C@H]2[NH2+]Cc3ccccc32)C[C@@H]1C ZINC000662743832 431183314 /nfs/dbraw/zinc/18/33/14/431183314.db2.gz VMBYEZPQHHFKEV-QILLFSRXSA-N 2 0 315.461 2.552 20 0 DFADRP CCc1ncc(C[N@@H+]2CC[C@@H](CNc3cc(C)cc[nH+]3)C2)cn1 ZINC000666302724 431184175 /nfs/dbraw/zinc/18/41/75/431184175.db2.gz BYMANCHBHCOWLG-HNNXBMFYSA-N 2 0 311.433 2.676 20 0 DFADRP CCC[C@@H](O)C[N@H+](C)C[C@H]1CC[NH+](Cc2ccc(C)s2)C1 ZINC000649603344 431191443 /nfs/dbraw/zinc/19/14/43/431191443.db2.gz HXKNEPQUKVTCOP-HZPDHXFCSA-N 2 0 310.507 2.971 20 0 DFADRP Cc1cccc(NC[C@@H]2CC[N@H+](CCO[C@H]3CC3(F)F)C2)[nH+]1 ZINC000659944027 431198505 /nfs/dbraw/zinc/19/85/05/431198505.db2.gz PLYUACHRXMAZDA-KBPBESRZSA-N 2 0 311.376 2.548 20 0 DFADRP C[C@H]([NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1)c1ccc(Br)cn1 ZINC000655803476 431155274 /nfs/dbraw/zinc/15/52/74/431155274.db2.gz QNPQGOQUUKHGCT-GMXVVIOVSA-N 2 0 312.255 2.835 20 0 DFADRP COc1cc([C@@H](C)[NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)cc(OC)c1OC ZINC000655807415 431156375 /nfs/dbraw/zinc/15/63/75/431156375.db2.gz LKCLEMJOBKEVJO-NFAWXSAZSA-N 2 0 322.449 2.703 20 0 DFADRP [NH3+][C@@H](CC1CCCCC1)C(=O)N[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000662668148 431156938 /nfs/dbraw/zinc/15/69/38/431156938.db2.gz IKJINZRZKPCNFB-AEFFLSMTSA-N 2 0 321.509 2.807 20 0 DFADRP C[C@@H]([NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1)c1ccc2c(c1)CCC(=O)N2 ZINC000655806292 431156994 /nfs/dbraw/zinc/15/69/94/431156994.db2.gz UKUANHWWFJPSTH-IOASZLSFSA-N 2 0 301.434 2.562 20 0 DFADRP C[C@H](CCc1n[nH]c2ccccc21)[NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000655805354 431158932 /nfs/dbraw/zinc/15/89/32/431158932.db2.gz MNUKEAUCLBUZGD-KFWWJZLASA-N 2 0 300.450 2.814 20 0 DFADRP COC[C@@H](C)[NH2+]Cc1cc(Cl)cc(C[NH2+][C@@H](C)COC)c1 ZINC000649555296 431159027 /nfs/dbraw/zinc/15/90/27/431159027.db2.gz KHDWXBAXQKPTPY-BETUJISGSA-N 2 0 314.857 2.589 20 0 DFADRP C[C@@H]1CCC[N@H+](Cc2ccc(NC(=O)[C@H]3C[C@H]([NH3+])C3)cc2)C1 ZINC000662675079 431159373 /nfs/dbraw/zinc/15/93/73/431159373.db2.gz IZTORSVTYXIMIN-FVQBIDKESA-N 2 0 301.434 2.594 20 0 DFADRP CC[NH+](CC)[C@H](CNC(=O)C1([NH3+])CC2(CCC2)C1)CC(C)C ZINC000662673594 431160247 /nfs/dbraw/zinc/16/02/47/431160247.db2.gz OFVMFYFFLDNPQW-HNNXBMFYSA-N 2 0 309.498 2.521 20 0 DFADRP C[C@H]1CCC[N@H+](Cc2ccc(NC(=O)CC3([NH3+])CC3)cc2)C1 ZINC000662676430 431160479 /nfs/dbraw/zinc/16/04/79/431160479.db2.gz VLJMBKVYIWNKHY-AWEZNQCLSA-N 2 0 301.434 2.738 20 0 DFADRP C[N@@H+](C[C@@H]1CCC[NH+](C)C1)C[C@H]1CCCN(C(=O)C(C)(C)C)C1 ZINC000659947260 431203765 /nfs/dbraw/zinc/20/37/65/431203765.db2.gz NHGMXLOWPNGXHS-IAGOWNOFSA-N 2 0 323.525 2.545 20 0 DFADRP Cc1cc(C[N@@H+]2CC[C@H](CNc3cccc(C)[nH+]3)C2)nc(C)n1 ZINC000659944850 431205848 /nfs/dbraw/zinc/20/58/48/431205848.db2.gz WMUDNCQSJMTFIZ-MRXNPFEDSA-N 2 0 311.433 2.731 20 0 DFADRP CC(C)[N@@H+]1[C@@H]2CC[C@H]1CN(CC[NH+]1C[C@H](C)C[C@H](C)C1)CC2 ZINC000659975185 431217677 /nfs/dbraw/zinc/21/76/77/431217677.db2.gz VNDUEIHLYFENAM-HCXYKTFWSA-N 2 0 307.526 2.911 20 0 DFADRP O[C@@H]1CCC[C@H]1[N@@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000659979230 431218446 /nfs/dbraw/zinc/21/84/46/431218446.db2.gz KGQRJRYWSBXCBJ-AQNXPRMDSA-N 2 0 314.473 2.888 20 0 DFADRP C[C@@H]1C[C@H](C)C[N@@H+](CCN2CC[C@H](C[NH+](C)CC3CC3)C2)C1 ZINC000659978048 431218944 /nfs/dbraw/zinc/21/89/44/431218944.db2.gz KPNYWIPBDKZFRB-ZIFCJYIRSA-N 2 0 307.526 2.628 20 0 DFADRP CC(C)[N@H+](C)C[C@H](O)C[NH+]1CC[C@@H](Cc2ccccc2)[C@@H]1C ZINC000659980830 431219437 /nfs/dbraw/zinc/21/94/37/431219437.db2.gz ZQYAZEDRTCLRCY-WDSOQIARSA-N 2 0 304.478 2.641 20 0 DFADRP C[C@H](C(=O)N1CCC[C@@H](C)[C@H]1CCC[NH3+])[C@H]([NH3+])c1ccccc1 ZINC000662890901 431231158 /nfs/dbraw/zinc/23/11/58/431231158.db2.gz QCRTYBQHZPAHNQ-ATLSCFEFSA-N 2 0 317.477 2.689 20 0 DFADRP C[NH+](C)CCOc1ccc(C[N@@H+]2CC[C@@H](O)C23CCCC3)cc1 ZINC000646229205 431233422 /nfs/dbraw/zinc/23/34/22/431233422.db2.gz LOSHEYWJKFTHIP-GOSISDBHSA-N 2 0 318.461 2.506 20 0 DFADRP CCOC(=O)C1(C)CCC([NH2+]C2CC[NH+](C(C)C)CC2)CC1 ZINC000353941264 279524447 /nfs/dbraw/zinc/52/44/47/279524447.db2.gz FUODFOYMOVAECO-UHFFFAOYSA-N 2 0 310.482 2.961 20 0 DFADRP [NH3+][C@@H]1CCCCCC[C@H]1C(=O)NC[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000663000760 431252457 /nfs/dbraw/zinc/25/24/57/431252457.db2.gz MFUNLKMWUIOKHT-KZNAEPCWSA-N 2 0 321.509 2.522 20 0 DFADRP [NH3+][C@@H](CC1CCCCC1)C(=O)NC[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000663002304 431253543 /nfs/dbraw/zinc/25/35/43/431253543.db2.gz CYFQHXMGGAGLEA-MSOLQXFVSA-N 2 0 321.509 2.522 20 0 DFADRP C[C@H]([NH3+])c1ccc(C(=O)NC[C@@H]2CCC[N@H+](CC3CC3)C2)cc1 ZINC000663005854 431254034 /nfs/dbraw/zinc/25/40/34/431254034.db2.gz YPEOAVWGOQCDEC-HOCLYGCPSA-N 2 0 315.461 2.558 20 0 DFADRP Cc1cc(CN2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)nc(C)n1 ZINC000660116202 431277152 /nfs/dbraw/zinc/27/71/52/431277152.db2.gz WSHMHKCJXMSGGP-MAUKXSAKSA-N 2 0 300.450 2.542 20 0 DFADRP FC1(F)C[C@H]1OCC[NH+]1CCC(CCC[NH+]2CCCC2)CC1 ZINC000660122391 431280589 /nfs/dbraw/zinc/28/05/89/431280589.db2.gz WKJFUFALXOTRCX-MRXNPFEDSA-N 2 0 316.436 2.999 20 0 DFADRP [NH3+][C@H](CC1CCCCC1)C(=O)N1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000646375402 431286869 /nfs/dbraw/zinc/28/68/69/431286869.db2.gz FGTAEYHHNOUCRP-OKZBNKHCSA-N 2 0 321.509 2.522 20 0 DFADRP [NH3+][C@@H]1CCC[C@H]([NH2+]C[C@@H]2CCCN(Cc3cccs3)C2)C1 ZINC000656197092 431304276 /nfs/dbraw/zinc/30/42/76/431304276.db2.gz BURGSFNYCUIYBF-XHSDSOJGSA-N 2 0 307.507 2.820 20 0 DFADRP C[C@H](Cc1ccccn1)[NH2+][C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000656201477 431304933 /nfs/dbraw/zinc/30/49/33/431304933.db2.gz PTJDGYCFDCVHLN-ZTNFWEORSA-N 2 0 323.440 2.858 20 0 DFADRP CC[N@H+](CCCNC(=O)[C@@H]1CCC[C@@H]1C[NH3+])C1CCCCC1 ZINC000653200713 431305771 /nfs/dbraw/zinc/30/57/71/431305771.db2.gz MYWFPCSOUWDCDW-NVXWUHKLSA-N 2 0 309.498 2.522 20 0 DFADRP CC[N@H+](CCCNC(=O)[C@@]1(C)CCC[NH2+]C1)C1CCCCC1 ZINC000653200408 431305799 /nfs/dbraw/zinc/30/57/99/431305799.db2.gz CZOGIZYZLCYKGG-SFHVURJKSA-N 2 0 309.498 2.537 20 0 DFADRP CC[N@H+](CCCNC(=O)[C@H]1CCC[C@@H]1C[NH3+])C1CCCCC1 ZINC000653200715 431306528 /nfs/dbraw/zinc/30/65/28/431306528.db2.gz MYWFPCSOUWDCDW-WBVHZDCISA-N 2 0 309.498 2.522 20 0 DFADRP C[C@@H]1CC[N@H+](Cc2ccccc2)CCN1CC[NH2+]C(C)(C)C ZINC000666636647 431310424 /nfs/dbraw/zinc/31/04/24/431310424.db2.gz AURUTGQCOVDLIT-QGZVFWFLSA-N 2 0 303.494 2.971 20 0 DFADRP C[C@@H]([NH2+]C(C)(C)CNC(=O)[C@@H]1CCC[NH2+]CC1)c1ccccc1 ZINC000653117915 431269938 /nfs/dbraw/zinc/26/99/38/431269938.db2.gz ZHDVZBHLIVDAFU-NVXWUHKLSA-N 2 0 317.477 2.622 20 0 DFADRP CC(C)[NH+]1CCC(N2CC[NH+](C[C@@H]3CC[C@H]4C[C@H]4C3)CC2)CC1 ZINC000660107907 431271712 /nfs/dbraw/zinc/27/17/12/431271712.db2.gz SHJJNBICZZBGPG-CEXWTWQISA-N 2 0 319.537 2.913 20 0 DFADRP C[C@H]([NH3+])CCC(=O)Nc1ccc(SCC[NH+]2CCCC2)cc1 ZINC000653253174 431336444 /nfs/dbraw/zinc/33/64/44/431336444.db2.gz JTNVGVURRWRRTN-AWEZNQCLSA-N 2 0 321.490 2.940 20 0 DFADRP C[NH2+]CCCC(=O)Nc1ccc(SCC[NH+]2CCCC2)cc1 ZINC000653253635 431337206 /nfs/dbraw/zinc/33/72/06/431337206.db2.gz ZSDQIUREEZXARI-UHFFFAOYSA-N 2 0 321.490 2.813 20 0 DFADRP Cc1ccc(NC2CC[NH+]([C@@H]3CCOC3)CC2)c(C[NH+](C)C)c1 ZINC000656256704 431337564 /nfs/dbraw/zinc/33/75/64/431337564.db2.gz YEQNEDBTZUJDCK-GOSISDBHSA-N 2 0 317.477 2.722 20 0 DFADRP Cc1ccc(N2CCC(C(=O)Nc3cccc(C[NH3+])c3)CC2)nc1 ZINC000646578700 431346889 /nfs/dbraw/zinc/34/68/89/431346889.db2.gz BFNNLZFSSYKJLH-UHFFFAOYSA-N 2 0 324.428 2.704 20 0 DFADRP C[C@H](CC(=O)Nc1cccc(Cl)c1)NC[C@@H]1CCCC[NH2+]1 ZINC000666770162 431350991 /nfs/dbraw/zinc/35/09/91/431350991.db2.gz NWKVIJTWKIFGKA-DOMZBBRYSA-N 2 0 309.841 2.789 20 0 DFADRP CC(C)c1cccc(C[NH2+]C[C@@H](C)CN2CC[NH+](C)CC2)c1 ZINC000663316662 431362043 /nfs/dbraw/zinc/36/20/43/431362043.db2.gz YPMHREGBKMBHMW-QGZVFWFLSA-N 2 0 303.494 2.783 20 0 DFADRP COc1cc(C[NH2+][C@@H]2CC23CC[NH2+]CC3)ccc1OC(C)C ZINC000666950772 431418608 /nfs/dbraw/zinc/41/86/08/431418608.db2.gz GBWQDSKQKKZQCV-QGZVFWFLSA-N 2 0 304.434 2.714 20 0 DFADRP C[NH+](C)[C@H]1CCC[N@H+](C[C@H]2CCCN(C(=O)C(C)(C)C)C2)CC1 ZINC000660416396 431419508 /nfs/dbraw/zinc/41/95/08/431419508.db2.gz QVMNNFDVXQJOLZ-SJORKVTESA-N 2 0 323.525 2.687 20 0 DFADRP [NH3+]C[C@@H]1CC[C@H]([NH2+]Cc2cnn(Cc3ccccc3Cl)c2)C1 ZINC000666962217 431426216 /nfs/dbraw/zinc/42/62/16/431426216.db2.gz RRXHWDAPUCFZBP-CJNGLKHVSA-N 2 0 318.852 2.802 20 0 DFADRP C[C@H](CC(=O)Nc1cccc(Cl)c1)[NH2+][C@H]1CC12CC[NH2+]CC2 ZINC000666953727 431421882 /nfs/dbraw/zinc/42/18/82/431421882.db2.gz GKMPVWGANHSXPD-DOMZBBRYSA-N 2 0 321.852 2.789 20 0 DFADRP C[C@@H]1C[N@@H+](CCCC[NH2+]C2CCC3(CCCO3)CC2)C[C@H](C)O1 ZINC000364948760 288159362 /nfs/dbraw/zinc/15/93/62/288159362.db2.gz FUEZOLCGXRXNEL-LPOKXYRGSA-N 2 0 324.509 2.957 20 0 DFADRP Fc1cc(Br)ccc1C[NH2+][C@@H]1CC12CC[NH2+]CC2 ZINC000666952116 431422326 /nfs/dbraw/zinc/42/23/26/431422326.db2.gz GNAXEYDDTBPHAQ-CYBMUJFWSA-N 2 0 313.214 2.820 20 0 DFADRP COc1ccc(C[C@H](C)C[NH2+][C@@H]2CC23CC[NH2+]CC3)cc1F ZINC000666953726 431422526 /nfs/dbraw/zinc/42/25/26/431422526.db2.gz GHBXARPDCOTDJK-SUMWQHHRSA-N 2 0 306.425 2.745 20 0 DFADRP Cc1cccc(NC(=O)C[C@H](C)[NH2+][C@@H]2CC23CC[NH2+]CC3)c1C ZINC000666953916 431422842 /nfs/dbraw/zinc/42/28/42/431422842.db2.gz KYCNZMNCTAQTCF-WMLDXEAASA-N 2 0 315.461 2.752 20 0 DFADRP CCCOc1ccc(C[NH2+][C@@H]2CC23CC[NH2+]CC3)cc1OC ZINC000666952081 431423048 /nfs/dbraw/zinc/42/30/48/431423048.db2.gz FJBFGEYDEHUEIX-QGZVFWFLSA-N 2 0 304.434 2.716 20 0 DFADRP Cc1nc2ccccn2c1C[NH2+]C[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000663346186 431377630 /nfs/dbraw/zinc/37/76/30/431377630.db2.gz QGEQTMZZEDVUTQ-QGZVFWFLSA-N 2 0 312.461 2.854 20 0 DFADRP c1ccc(C[N@@H+]2C[C@H]3[C@@H](C2)[C@@H]2CC[C@H]3C[NH+]2[C@H]2CCOC2)cc1 ZINC000656407938 431380292 /nfs/dbraw/zinc/38/02/92/431380292.db2.gz VCXJUPNYOCRUJT-OMZCGLGVSA-N 2 0 312.457 2.618 20 0 DFADRP CC[NH+](CC)Cc1ccc(C(=O)N[C@H](C[NH3+])C2CCCCC2)o1 ZINC000646755004 431385431 /nfs/dbraw/zinc/38/54/31/431385431.db2.gz VDXFMZWIDMXSFQ-MRXNPFEDSA-N 2 0 321.465 2.759 20 0 DFADRP C[C@H](CC(=O)Nc1cccc(Cl)c1)[NH2+][C@H]1CCC[NH2+]CC1 ZINC000666857860 431386453 /nfs/dbraw/zinc/38/64/53/431386453.db2.gz MULBTHSWHHDXPN-OCCSQVGLSA-N 2 0 309.841 2.789 20 0 DFADRP CC[NH+](CC)Cc1ccc(C(=O)N[C@@H](C[NH3+])C2CCCCC2)o1 ZINC000646755003 431386647 /nfs/dbraw/zinc/38/66/47/431386647.db2.gz VDXFMZWIDMXSFQ-INIZCTEOSA-N 2 0 321.465 2.759 20 0 DFADRP COc1cccc(-c2n[nH]cc2C[NH2+]CCC[C@@H]2CCC[NH2+]2)c1 ZINC000666902390 431401085 /nfs/dbraw/zinc/40/10/85/431401085.db2.gz KDXNBWYDNOKTOF-MRXNPFEDSA-N 2 0 314.433 2.707 20 0 DFADRP Clc1ccc([C@H](C2CCOCC2)[NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC000653501797 431406840 /nfs/dbraw/zinc/40/68/40/431406840.db2.gz IPBQGXFTQGTWSQ-JFIYKMOQSA-N 2 0 320.864 2.959 20 0 DFADRP Fc1ccc(-c2n[nH]cc2C[NH2+][C@H]2CC[NH2+]C3(CCC3)C2)cc1 ZINC000666998323 431439984 /nfs/dbraw/zinc/43/99/84/431439984.db2.gz NTJHSZWTHLCEEU-INIZCTEOSA-N 2 0 314.408 2.980 20 0 DFADRP CC[C@@H]1CN(C(=O)[C@@H](c2ccccc2)[NH+](CC)CC)CC[C@@H]1[NH3+] ZINC000647012695 431445538 /nfs/dbraw/zinc/44/55/38/431445538.db2.gz YNYJAIROIXBWDD-BPQIPLTHSA-N 2 0 317.477 2.655 20 0 DFADRP CCO[C@@H]1C[C@@H]([NH2+]CC2(SC)CC[NH+](C)CC2)C12CCC2 ZINC000353626018 279814002 /nfs/dbraw/zinc/81/40/02/279814002.db2.gz SWSIOWMOCQKEBA-HUUCEWRRSA-N 2 0 312.523 2.751 20 0 DFADRP CC(C)[C@H]([NH3+])CCNC1CC[NH+](CCc2ccccc2)CC1 ZINC000663503092 431448326 /nfs/dbraw/zinc/44/83/26/431448326.db2.gz NPHBPHXDJJEYSM-LJQANCHMSA-N 2 0 303.494 2.657 20 0 DFADRP C[C@@H]1C[N@H+](CCC(C)(C)C2CC2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000653594327 431450876 /nfs/dbraw/zinc/45/08/76/431450876.db2.gz MRARASAGNZFSGK-AEFFLSMTSA-N 2 0 307.526 2.771 20 0 DFADRP c1ccc([C@@H]2C[C@@H]2[N@@H+]2CCC[C@H](N3CCOCC3)CC2)cc1 ZINC000660476555 431451608 /nfs/dbraw/zinc/45/16/08/431451608.db2.gz ZQGPUNIGQAZHIP-FHWLQOOXSA-N 2 0 300.446 2.729 20 0 DFADRP COc1cccc(C[NH+]2CCC([C@H]3OCCC[C@@H]3[NH3+])CC2)c1F ZINC000667042304 431457198 /nfs/dbraw/zinc/45/71/98/431457198.db2.gz ZXIUYGSVFZHAQS-MAUKXSAKSA-N 2 0 322.424 2.553 20 0 DFADRP C[C@H]([NH2+]CCCc1cncn1C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000653614043 431459016 /nfs/dbraw/zinc/45/90/16/431459016.db2.gz LKKGGVJGPKWZSL-JKSUJKDBSA-N 3 0 304.482 2.595 20 0 DFADRP Cc1ccc([C@@H]2C[C@H](C)[NH+](C[C@@H](O)C[N@@H+](C)C(C)C)C2)cc1 ZINC000660432833 431427684 /nfs/dbraw/zinc/42/76/84/431427684.db2.gz XXEGFTOAGOSECE-UHOSZYNNSA-N 2 0 304.478 2.874 20 0 DFADRP CC(C)(C)[N@@H+]1CC[C@H](CNC(=O)Nc2ccn3ccnc3c2)C1 ZINC000666975141 431430802 /nfs/dbraw/zinc/43/08/02/431430802.db2.gz ITVIZBIGKSZLDT-CYBMUJFWSA-N 2 0 315.421 2.576 20 0 DFADRP CCn1nccc1C[NH2+][C@@H](C)c1ccc(OCC[NH+](C)C)cc1 ZINC000663467203 431431224 /nfs/dbraw/zinc/43/12/24/431431224.db2.gz FUHANNXGRZFEIR-HNNXBMFYSA-N 2 0 316.449 2.694 20 0 DFADRP Cc1ccc(-c2nn(C)cc2C[NH2+]CC[C@@H]2CCC[N@H+](C)C2)o1 ZINC000647217151 431516623 /nfs/dbraw/zinc/51/66/23/431516623.db2.gz BLIHVVSCGOGYKZ-HNNXBMFYSA-N 2 0 316.449 2.810 20 0 DFADRP c1cc(C[N@@H+]2CC[C@H](N3CC[NH2+]CC3)C2)cc(C2CCCC2)c1 ZINC000656785241 431522343 /nfs/dbraw/zinc/52/23/43/431522343.db2.gz FYGYYPPXEWZBQT-FQEVSTJZSA-N 2 0 313.489 2.824 20 0 DFADRP CO[C@@H]1CCC[C@H]([NH2+]C[C@@H]2C[N@H+](C)C[C@H]2c2ccccc2)C1 ZINC000647249406 431526818 /nfs/dbraw/zinc/52/68/18/431526818.db2.gz YETYQLJDSFKFRX-HCXYKTFWSA-N 2 0 302.462 2.879 20 0 DFADRP COc1ccc(OCCC[N@@H+]2CCC[C@]3(CC[NH+](C)C3)C2)cc1 ZINC000660657628 431531839 /nfs/dbraw/zinc/53/18/39/431531839.db2.gz YWAMVOQNORQKMR-LJQANCHMSA-N 2 0 318.461 2.882 20 0 DFADRP CC(C)[N@H+](C)C[C@@H](O)C[NH+]1CCC[C@@H]1CCc1ccccc1 ZINC000656701538 431485946 /nfs/dbraw/zinc/48/59/46/431485946.db2.gz XCWPJXFHTGEXJX-RTBURBONSA-N 2 0 304.478 2.785 20 0 DFADRP Cc1ccc(-c2nn(C)cc2C[NH2+]CCC[NH+]2CCCC2)o1 ZINC000647168941 431489556 /nfs/dbraw/zinc/48/95/56/431489556.db2.gz RWGYLRJJOJCEHZ-UHFFFAOYSA-N 2 0 302.422 2.564 20 0 DFADRP CCO[C@H]1C[C@@H]([NH2+]CC2(SC)CC[NH+](C)CC2)C1(C)C ZINC000353639687 279919293 /nfs/dbraw/zinc/91/92/93/279919293.db2.gz DQMNAPIUQJLQHP-KGLIPLIRSA-N 2 0 300.512 2.607 20 0 DFADRP C[C@H](CN[C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1)[NH+](C)C ZINC000647179567 431494072 /nfs/dbraw/zinc/49/40/72/431494072.db2.gz DRUPVQYAXBTZEE-SJLPKXTDSA-N 2 0 301.478 2.723 20 0 DFADRP CC(C)Cn1nccc1C[NH2+]CCCC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000647184928 431499054 /nfs/dbraw/zinc/49/90/54/431499054.db2.gz IILOHCKARFVUOC-IRXDYDNUSA-N 2 0 322.497 2.518 20 0 DFADRP O[C@H]1CCC[C@H]1[NH+]1CCC([NH2+]C2CCC(F)(F)CC2)CC1 ZINC000647193402 431505151 /nfs/dbraw/zinc/50/51/51/431505151.db2.gz XTHYKHDONCFKMP-CABCVRRESA-N 2 0 302.409 2.532 20 0 DFADRP CC[N@@H+]1CC[C@@H]([NH2+][C@@H]2CCO[C@@H](c3cccnc3)C2)[C@@H](C)C1 ZINC000647339156 431556214 /nfs/dbraw/zinc/55/62/14/431556214.db2.gz JYXCCCKZMFLKLZ-DZOHQFGASA-N 2 0 303.450 2.622 20 0 DFADRP CC(C)Oc1ccnc(CN2CCC[C@@]3(CC[N@H+](C)C3)C2)c1 ZINC000660661985 431536691 /nfs/dbraw/zinc/53/66/91/431536691.db2.gz GQUQTPGSUPKMDP-SFHVURJKSA-N 2 0 303.450 2.787 20 0 DFADRP Cc1ccccc1NC(=O)CC[NH+]1CCC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000660659622 431537811 /nfs/dbraw/zinc/53/78/11/431537811.db2.gz POAOEINVYSLWHN-IBGZPJMESA-N 2 0 315.461 2.741 20 0 DFADRP O[C@H]1CCC[C@H](C[NH+]2CCC([NH2+]Cc3ccccc3)CC2)C1 ZINC000660675154 431544748 /nfs/dbraw/zinc/54/47/48/431544748.db2.gz HAXWWUYPYMKGDH-HKUYNNGSSA-N 2 0 302.462 2.792 20 0 DFADRP CC(C)C[C@H]([NH2+]CCN1CC[N@H+](C)C(C)(C)C1)c1ccncc1 ZINC000647302531 431545088 /nfs/dbraw/zinc/54/50/88/431545088.db2.gz DJWYSEYXNRPPRD-SFHVURJKSA-N 2 0 318.509 2.784 20 0 DFADRP C[NH+](C)CCCC(C)(C)NC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000653845210 431551145 /nfs/dbraw/zinc/55/11/45/431551145.db2.gz JYTXOJPKEXJJNB-INIZCTEOSA-N 2 0 323.525 2.878 20 0 DFADRP C[C@H]([NH2+][C@@H]1CCO[C@@H](c2cccnc2)C1)C1CC[NH+](C)CC1 ZINC000647339392 431555710 /nfs/dbraw/zinc/55/57/10/431555710.db2.gz QWTXAJZXBIKGBA-BMGDILEWSA-N 2 0 303.450 2.622 20 0 DFADRP Cc1cccc2nc(CC[NH2+][C@@H]3CC[N@@H+](C)[C@H]4CCC[C@H]43)cn21 ZINC000647364100 431565382 /nfs/dbraw/zinc/56/53/82/431565382.db2.gz RUQXJRKVKXCYRC-KSZLIROESA-N 2 0 312.461 2.648 20 0 DFADRP CC(C)[C@H](Cc1ccc(F)cc1)[NH2+]CCCN1CC[NH+](C)CC1 ZINC000162530892 280268746 /nfs/dbraw/zinc/26/87/46/280268746.db2.gz ONCQBZCDHRLXPM-IBGZPJMESA-N 2 0 321.484 2.620 20 0 DFADRP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCC[N@H+](Cc3cc(F)cc(F)c3)C2)C1 ZINC000650707403 431652815 /nfs/dbraw/zinc/65/28/15/431652815.db2.gz FEJZDPRBCLSXFG-XYPHTWIQSA-N 2 0 310.388 2.683 20 0 DFADRP COCCOc1ccc(C[NH2+]Cc2ccc(C[NH3+])cc2F)cc1 ZINC000650717626 431661912 /nfs/dbraw/zinc/66/19/12/431661912.db2.gz HRKJZEOWIFDTLX-UHFFFAOYSA-N 2 0 318.392 2.599 20 0 DFADRP [NH3+][C@@H]1CCO[C@H](C2CC[NH+](Cc3cccc4c3CCC4)CC2)C1 ZINC000650704147 431653122 /nfs/dbraw/zinc/65/31/22/431653122.db2.gz KAAZMTDFFZFQNS-QUCCMNQESA-N 2 0 314.473 2.894 20 0 DFADRP Cc1ccc(C[N@@H+]2CCC[C@H]([C@@H]3C[C@H]([NH3+])CCO3)C2)cc1F ZINC000650707137 431653985 /nfs/dbraw/zinc/65/39/85/431653985.db2.gz ZGXSVDBAQKJXOP-JZXOWHBKSA-N 2 0 306.425 2.852 20 0 DFADRP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+]1CCC[C@@H](C)[C@@H]1CC[NH3+] ZINC000650711201 431655823 /nfs/dbraw/zinc/65/58/23/431655823.db2.gz LJRNXCNGGVPNNS-KDOFPFPSSA-N 3 0 313.449 2.525 20 0 DFADRP COCCOc1cccc(C[N@@H+]2CCC[C@H](C)[C@H]2CC[NH3+])c1 ZINC000650710878 431656840 /nfs/dbraw/zinc/65/68/40/431656840.db2.gz BLTTWCBVEFMPBR-MAUKXSAKSA-N 2 0 306.450 2.661 20 0 DFADRP C[C@@H]1CCC[N@H+](Cc2cnn(-c3ccc(F)cc3)c2)[C@@H]1CC[NH3+] ZINC000650711154 431657198 /nfs/dbraw/zinc/65/71/98/431657198.db2.gz KASFSVDZVASFQO-RDTXWAMCSA-N 2 0 316.424 2.961 20 0 DFADRP [NH3+]C[C@]12CCC[C@H]1C[N@H+](Cc1c[nH]nc1-c1ccc(F)cc1)C2 ZINC000650709026 431657648 /nfs/dbraw/zinc/65/76/48/431657648.db2.gz ZNMXUCZBTCQFOI-YJBOKZPZSA-N 2 0 314.408 2.777 20 0 DFADRP C[C@@H]1CCC[N@H+](Cc2ccc(C(=O)NC3CC3)cc2)[C@H]1CC[NH3+] ZINC000650710886 431657836 /nfs/dbraw/zinc/65/78/36/431657836.db2.gz BTQNNKCEQYCMMN-KDOFPFPSSA-N 2 0 315.461 2.528 20 0 DFADRP Cc1ccc(F)cc1C[N@@H+]1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1 ZINC000650708375 431657970 /nfs/dbraw/zinc/65/79/70/431657970.db2.gz YVLJAXUVBKGGDA-BMGDILEWSA-N 2 0 306.425 2.852 20 0 DFADRP [NH3+]CC1(CC[NH2+]Cc2c(F)ccc(Br)c2F)CC1 ZINC000650714036 431658721 /nfs/dbraw/zinc/65/87/21/431658721.db2.gz OGABGPUPSGUCJB-UHFFFAOYSA-N 2 0 319.193 2.946 20 0 DFADRP C[C@@H]1CCC[N@H+](Cc2ccc3c(c2)sc(=O)n3C)[C@H]1CC[NH3+] ZINC000650711841 431658938 /nfs/dbraw/zinc/65/89/38/431658938.db2.gz FZHOYABNYJEUIH-OCCSQVGLSA-N 2 0 319.474 2.549 20 0 DFADRP CCN(CC)[C@H](C)C[NH2+]C[C@@H]1CCCO[C@H]1c1ccnn1CC ZINC000657301393 431659124 /nfs/dbraw/zinc/65/91/24/431659124.db2.gz CLTLBSVNXFUJPI-SOLBZPMBSA-N 2 0 322.497 2.691 20 0 DFADRP COc1cc(C[NH2+]CCC2(C[NH3+])CC2)ccc1OC(F)F ZINC000650712294 431659278 /nfs/dbraw/zinc/65/92/78/431659278.db2.gz ZKWZKZRZRSDRLS-UHFFFAOYSA-N 2 0 300.349 2.515 20 0 DFADRP CC[C@@H](Cc1ccc(OC)c(OC)c1)[NH2+]CCC1(C[NH3+])CC1 ZINC000650713825 431659910 /nfs/dbraw/zinc/65/99/10/431659910.db2.gz DFZATSYRNAXUAX-HNNXBMFYSA-N 2 0 306.450 2.744 20 0 DFADRP CC[C@H]1C[N@H+](Cc2c[nH]nc2-c2ccc(F)cc2)CC[C@@H]1[NH3+] ZINC000647498609 431608165 /nfs/dbraw/zinc/60/81/65/431608165.db2.gz KZKYOIPZHHYKAM-LRDDRELGSA-N 2 0 302.397 2.775 20 0 DFADRP CCN(C)c1ccc(C[N@@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)cn1 ZINC000647543313 431623581 /nfs/dbraw/zinc/62/35/81/431623581.db2.gz KXMJTOTVCOIHPM-MSOLQXFVSA-N 2 0 316.493 2.749 20 0 DFADRP C(c1nc2c(s1)CCCC2)[N@@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000647545731 431623700 /nfs/dbraw/zinc/62/37/00/431623700.db2.gz JVLFVCOXNRGAIB-UONOGXRCSA-N 2 0 305.491 2.843 20 0 DFADRP Cc1nn(C(C)C)cc1C[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647544349 431624366 /nfs/dbraw/zinc/62/43/66/431624366.db2.gz ZEXKGCFCAKFSBH-DLBZAZTESA-N 2 0 304.482 2.984 20 0 DFADRP COCc1nc(C[N@@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)cs1 ZINC000647543067 431624778 /nfs/dbraw/zinc/62/47/78/431624778.db2.gz HAYJPWSSDFXXOD-UONOGXRCSA-N 2 0 309.479 2.501 20 0 DFADRP Cc1ccc(-c2nn(C)cc2C[NH2+]CCC[C@H]2CCC[NH2+]2)o1 ZINC000647546873 431624927 /nfs/dbraw/zinc/62/49/27/431624927.db2.gz FPWMHYYJBLDYCT-HNNXBMFYSA-N 2 0 302.422 2.610 20 0 DFADRP COc1ccc(OC)c(C[N@@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)c1 ZINC000647543306 431625608 /nfs/dbraw/zinc/62/56/08/431625608.db2.gz KXFWDWZRHBMNQK-HOTGVXAUSA-N 2 0 318.461 2.915 20 0 DFADRP CC[NH+]1CCN(c2ccc(N[C@H]3C[NH2+]C[C@@H](C)C3)c(C)c2)CC1 ZINC000647547759 431627940 /nfs/dbraw/zinc/62/79/40/431627940.db2.gz CFRQWYCPQJCEIB-DOTOQJQBSA-N 2 0 316.493 2.547 20 0 DFADRP CCOc1ccc(C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)cc1OC ZINC000647550233 431627951 /nfs/dbraw/zinc/62/79/51/431627951.db2.gz GRUPTQGBGILEKQ-OWCLPIDISA-N 2 0 304.434 2.572 20 0 DFADRP CC1CC[NH+](C2CCC([NH2+]Cc3ccc(N)nc3)CC2)CC1 ZINC000647550736 431628579 /nfs/dbraw/zinc/62/85/79/431628579.db2.gz FGTZOUIQZZGRBM-UHFFFAOYSA-N 2 0 302.466 2.627 20 0 DFADRP C[C@H]1CN(Cc2ccccc2)C[C@@H]1[NH2+]Cc1ccc(C[NH3+])cc1 ZINC000647553348 431631001 /nfs/dbraw/zinc/63/10/01/431631001.db2.gz VIGGSXGWKHXHCY-JXFKEZNVSA-N 2 0 309.457 2.755 20 0 DFADRP CCC(CC)[C@@H](CNCc1ccnn1-c1cc[nH+]cc1)[NH+](C)C ZINC000657303743 431661592 /nfs/dbraw/zinc/66/15/92/431661592.db2.gz PXQGCHYPYYKYQI-GOSISDBHSA-N 2 0 315.465 2.723 20 0 DFADRP COC[C@@H](C)Oc1ccc(C[NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000657308470 431666216 /nfs/dbraw/zinc/66/62/16/431666216.db2.gz ZRQSEFGLEIGFNT-WBVHZDCISA-N 2 0 318.461 2.674 20 0 DFADRP COC[C@@H](C)Oc1ccc(C[NH2+]C[C@H](C)C[NH+]2CCCC2)cc1 ZINC000657317549 431673099 /nfs/dbraw/zinc/67/30/99/431673099.db2.gz CFWKVLYPUHTIGM-DLBZAZTESA-N 2 0 320.477 2.922 20 0 DFADRP C[C@H](CNCc1cc(C(F)(F)F)nn1C)C[NH+]1CCCCC1 ZINC000657316375 431674150 /nfs/dbraw/zinc/67/41/50/431674150.db2.gz DYONOALBKDSCKY-GFCCVEGCSA-N 2 0 318.387 2.651 20 0 DFADRP [NH3+]CC1(CC[NH2+]C2CCC3(CC2)c2ccccc2NC3=O)CC1 ZINC000650744206 431674848 /nfs/dbraw/zinc/67/48/48/431674848.db2.gz IKDCAUODUACWRP-UHFFFAOYSA-N 2 0 313.445 2.538 20 0 DFADRP Cn1ccnc1[C@@H]([NH2+]CCC1(C[NH3+])CC1)c1ccc(Cl)cc1 ZINC000650748273 431677684 /nfs/dbraw/zinc/67/76/84/431677684.db2.gz QYWWMBADACQLBQ-HNNXBMFYSA-N 2 0 318.852 2.882 20 0 DFADRP c1nc2n(c1CNC1CC[NH+](CC3CCCC3)CC1)CCC2 ZINC000657336649 431681643 /nfs/dbraw/zinc/68/16/43/431681643.db2.gz WMQDPQAWAYZPMN-UHFFFAOYSA-N 2 0 302.466 2.574 20 0 DFADRP COC[C@H](C)Oc1ccc(C[NH2+]C[C@@H](C)Cn2ccnc2)cc1 ZINC000657334359 431683012 /nfs/dbraw/zinc/68/30/12/431683012.db2.gz XALKOPHEZNQISV-CVEARBPZSA-N 2 0 317.433 2.723 20 0 DFADRP c1csc(-c2nc(C[NH2+][C@@H]3CC[C@@H]4C[NH2+]C[C@@H]4C3)co2)c1 ZINC000647784298 431684027 /nfs/dbraw/zinc/68/40/27/431684027.db2.gz PYOMEVIVRCKCKK-FRRDWIJNSA-N 2 0 303.431 2.881 20 0 DFADRP COc1cccc(C[C@H]([NH2+]CCC2CC[NH2+]CC2)C2CC2)c1 ZINC000650763265 431683998 /nfs/dbraw/zinc/68/39/98/431683998.db2.gz WFPFDWOQQAAJCG-IBGZPJMESA-N 2 0 302.462 2.996 20 0 DFADRP COc1cc2c(cc1OC)[C@H]([NH2+]CCC1CC[NH2+]CC1)CC2 ZINC000650761630 431684052 /nfs/dbraw/zinc/68/40/52/431684052.db2.gz FQEKUSNITAXRCN-MRXNPFEDSA-N 2 0 304.434 2.670 20 0 DFADRP COc1cc(F)c([C@@H](C)[NH2+]CCC2CC[NH2+]CC2)cc1OC ZINC000650764173 431684066 /nfs/dbraw/zinc/68/40/66/431684066.db2.gz RPFJVFULRYVTJJ-GFCCVEGCSA-N 2 0 310.413 2.883 20 0 DFADRP C[C@H]([NH2+]CCC1CC[NH2+]CC1)c1cccc(OCC[NH+](C)C)c1 ZINC000650763725 431684358 /nfs/dbraw/zinc/68/43/58/431684358.db2.gz HZFYBTSDFWUHHO-INIZCTEOSA-N 3 0 319.493 2.667 20 0 DFADRP C[C@@H]([NH2+]CCc1ccc2c(c1)OC(F)(F)O2)[C@@H]1CCC[NH2+]C1 ZINC000650760896 431684397 /nfs/dbraw/zinc/68/43/97/431684397.db2.gz OIWPVCVACKIKKH-DGCLKSJQSA-N 2 0 312.360 2.528 20 0 DFADRP CCN(CC[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1)c1cccc(C)c1 ZINC000647786263 431684678 /nfs/dbraw/zinc/68/46/78/431684678.db2.gz LSLCNEFJMHRNIJ-KZNAEPCWSA-N 2 0 301.478 2.799 20 0 DFADRP c1ccc(OCC2CC2)c(C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)c1 ZINC000647785957 431684822 /nfs/dbraw/zinc/68/48/22/431684822.db2.gz GVFKYRHEGRYDTR-KBAYOESNSA-N 2 0 300.446 2.953 20 0 DFADRP C[C@@H](c1ccccc1)N1CC[C@H]([NH2+]CCC2CC[NH2+]CC2)C1 ZINC000650764219 431684777 /nfs/dbraw/zinc/68/47/77/431684777.db2.gz TYEDNANAFNPLCZ-LPHOPBHVSA-N 2 0 301.478 2.801 20 0 DFADRP C[C@H]1C[C@H]([NH2+]CCC2CC[NH2+]CC2)CN1Cc1ccccc1 ZINC000650763785 431685952 /nfs/dbraw/zinc/68/59/52/431685952.db2.gz JLRFEZQIDNTGSV-LPHOPBHVSA-N 2 0 301.478 2.629 20 0 DFADRP COc1ccc(C(C)(C)C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC000647791991 431686508 /nfs/dbraw/zinc/68/65/08/431686508.db2.gz RCQGBTREYSOVIZ-HLLBOEOZSA-N 2 0 302.462 2.951 20 0 DFADRP CC[C@@H]1CCCN(C(C)(C)C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)C1 ZINC000647790435 431686552 /nfs/dbraw/zinc/68/65/52/431686552.db2.gz YJLHCICFNYIJHI-BRSBDYLESA-N 2 0 307.526 2.865 20 0 DFADRP CC(C)Oc1ccc(CC[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000647788895 431686938 /nfs/dbraw/zinc/68/69/38/431686938.db2.gz UXYOEBVBSHXJQM-KZNAEPCWSA-N 2 0 302.462 2.994 20 0 DFADRP Cc1cccc(NC(=O)C[C@H](C)[NH2+]CCC2CC[NH2+]CC2)c1C ZINC000650764322 431687284 /nfs/dbraw/zinc/68/72/84/431687284.db2.gz WCVYVVCOJNASJC-HNNXBMFYSA-N 2 0 317.477 3.000 20 0 DFADRP CC[C@H](C[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1)Oc1ccccc1F ZINC000647788477 431687969 /nfs/dbraw/zinc/68/79/69/431687969.db2.gz KDSCUGWMFBLXHU-KLHDSHLOSA-N 2 0 306.425 2.961 20 0 DFADRP CC(C)(C[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)c1ccc2c(c1)OCO2 ZINC000647788537 431688018 /nfs/dbraw/zinc/68/80/18/431688018.db2.gz LRAVGBOOMNTAAZ-IJEWVQPXSA-N 2 0 316.445 2.671 20 0 DFADRP COCCCOc1cccc(C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000647794214 431688949 /nfs/dbraw/zinc/68/89/49/431688949.db2.gz URFWQAGLQBJBRM-FGTMMUONSA-N 2 0 318.461 2.580 20 0 DFADRP Cn1cc(C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)c(-c2ccccc2)n1 ZINC000647794099 431689111 /nfs/dbraw/zinc/68/91/11/431689111.db2.gz RDLMQYATIGJJBD-LZLYRXPVSA-N 2 0 310.445 2.565 20 0 DFADRP COc1ccccc1OC[C@H](C)C[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000647793571 431689435 /nfs/dbraw/zinc/68/94/35/431689435.db2.gz APCVNULAHUQUEK-YYIAUSFCSA-N 2 0 318.461 2.688 20 0 DFADRP Cc1ccn(-c2ccccc2C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)n1 ZINC000647793168 431689508 /nfs/dbraw/zinc/68/95/08/431689508.db2.gz ODZLDPHOAJTWPE-BPQIPLTHSA-N 2 0 310.445 2.658 20 0 DFADRP Fc1ccccc1N1CCC[C@H]([NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)C1 ZINC000647793820 431689611 /nfs/dbraw/zinc/68/96/11/431689611.db2.gz JGLCVQQNGDNFMX-TWMKSMIVSA-N 2 0 317.452 2.772 20 0 DFADRP c1ccc([C@@H]2C[C@H]([NH2+][C@@H]3CC[C@H]4C[NH2+]C[C@H]4C3)CCO2)cc1 ZINC000647795721 431689643 /nfs/dbraw/zinc/68/96/43/431689643.db2.gz USNUIXIPLBGLBC-VHPHOLNESA-N 2 0 300.446 2.884 20 0 DFADRP COc1cccc(C(C)(C)C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)c1 ZINC000647793881 431689685 /nfs/dbraw/zinc/68/96/85/431689685.db2.gz KUURDHREWOFYFZ-BFYDXBDKSA-N 2 0 302.462 2.951 20 0 DFADRP COc1ccc([C@H](OC)[C@H](C)[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000647794304 431689786 /nfs/dbraw/zinc/68/97/86/431689786.db2.gz XNRYKGYYKSWIOT-DTZRRZKCSA-N 2 0 318.461 2.749 20 0 DFADRP COc1cc(F)cc(C[C@H](C)[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)c1 ZINC000647799447 431691528 /nfs/dbraw/zinc/69/15/28/431691528.db2.gz HCSKIHZMJPBIJF-MKVSYHDVSA-N 2 0 306.425 2.743 20 0 DFADRP CCOc1ccc([C@H](COC)[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000647797024 431691798 /nfs/dbraw/zinc/69/17/98/431691798.db2.gz VHOBWJUQGPBYLG-FAJBIJEISA-N 2 0 318.461 2.751 20 0 DFADRP Cc1cccc2nc(CC[NH2+][C@@H]3C[C@@H]([NH3+])c4ccccc43)cn21 ZINC000647804140 431693455 /nfs/dbraw/zinc/69/34/55/431693455.db2.gz JUPGAOCLOMVJSS-QZTJIDSGSA-N 2 0 306.413 2.920 20 0 DFADRP c1cc(C[NH2+]CCc2ccc3c(c2)CCO3)n(-c2cc[nH+]cc2)n1 ZINC000657361459 431704104 /nfs/dbraw/zinc/70/41/04/431704104.db2.gz MUYPFMNBHWZTCS-UHFFFAOYSA-N 2 0 320.396 2.535 20 0 DFADRP CCCCN(C)CC[NH2+]C[C@@H]1CCCO[C@H]1c1cnn(CC)c1 ZINC000657369424 431705928 /nfs/dbraw/zinc/70/59/28/431705928.db2.gz FUYXEKXFDHPUQX-FUHWJXTLSA-N 2 0 322.497 2.692 20 0 DFADRP Cc1cc(CO)cc(N2CC[C@H](CNc3cccc(C)[nH+]3)C2)n1 ZINC000647864530 431710454 /nfs/dbraw/zinc/71/04/54/431710454.db2.gz FZAZWFCUIVEZKX-OAHLLOKOSA-N 2 0 312.417 2.524 20 0 DFADRP O=C(CC[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1)Nc1ccc(F)cc1 ZINC000647900941 431723865 /nfs/dbraw/zinc/72/38/65/431723865.db2.gz HVJJYBMWPINBTJ-YOEHRIQHSA-N 2 0 319.424 2.618 20 0 DFADRP O=C(CC[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1)Nc1ccc(F)cc1 ZINC000647900940 431724537 /nfs/dbraw/zinc/72/45/37/431724537.db2.gz HVJJYBMWPINBTJ-WMLDXEAASA-N 2 0 319.424 2.618 20 0 DFADRP O[C@H]1CCCC[C@H]1CCC[NH2+]Cc1ccnn1-c1cc[nH+]cc1 ZINC000657403012 431730018 /nfs/dbraw/zinc/73/00/18/431730018.db2.gz OJILFIBHKPSMAN-YJBOKZPZSA-N 2 0 314.433 2.688 20 0 DFADRP C[C@@H]1C[C@@H](CC[NH2+]Cc2ccnn2-c2cc[nH+]cc2)CCO1 ZINC000657432831 431748806 /nfs/dbraw/zinc/74/88/06/431748806.db2.gz VSSNWBCEERKITI-CABCVRRESA-N 2 0 300.406 2.562 20 0 DFADRP Fc1ccc(OC(F)F)c(C[NH2+][C@H]2CCn3ccnc3C2)c1 ZINC000657440006 431753280 /nfs/dbraw/zinc/75/32/80/431753280.db2.gz JZIKIBFEAYFHTA-LBPRGKRZSA-N 2 0 311.307 2.728 20 0 DFADRP CC(C)[N@H+](C)C[C@H](O)C[NH2+][C@H]1CCC[C@H]1Cc1ccccc1 ZINC000647972000 431758280 /nfs/dbraw/zinc/75/82/80/431758280.db2.gz FSGPIPIQVLUBFW-OTWHNJEPSA-N 2 0 304.478 2.689 20 0 DFADRP Cn1ncc(C2CCC2)c1C[NH2+]CC1CC[NH+](C2CC2)CC1 ZINC000657450039 431759177 /nfs/dbraw/zinc/75/91/77/431759177.db2.gz KOGXHTZKEXKEEV-UHFFFAOYSA-N 2 0 302.466 2.652 20 0 DFADRP C[C@H](C(=O)Nc1ccccc1)[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647976912 431761209 /nfs/dbraw/zinc/76/12/09/431761209.db2.gz VZVMBICPMBJRRL-IXDOHACOSA-N 2 0 315.461 2.725 20 0 DFADRP C(c1noc2c1CCCC2)[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647977997 431761675 /nfs/dbraw/zinc/76/16/75/431761675.db2.gz KTOQTNBTLVAEPG-LSDHHAIUSA-N 2 0 303.450 2.765 20 0 DFADRP Cc1ccc(NC(=O)C[N@@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)cc1 ZINC000647975371 431762663 /nfs/dbraw/zinc/76/26/63/431762663.db2.gz YRNTUJQZEZVTPP-DLBZAZTESA-N 2 0 315.461 2.645 20 0 DFADRP CC(C)CCc1noc(C[N@@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)n1 ZINC000647977803 431763251 /nfs/dbraw/zinc/76/32/51/431763251.db2.gz HSWCMHZTMBSXCW-HOTGVXAUSA-N 2 0 320.481 2.870 20 0 DFADRP c1cc(CC[N@@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)cc2c1OCC2 ZINC000647978810 431763311 /nfs/dbraw/zinc/76/33/11/431763311.db2.gz YKVBFPYRAHSTLO-RBUKOAKNSA-N 2 0 314.473 2.876 20 0 DFADRP C[N@H+](CCCc1cc(-c2ccc(F)cc2)n[nH]1)C[C@H]1CC[NH2+]C1 ZINC000647881024 431717166 /nfs/dbraw/zinc/71/71/66/431717166.db2.gz VYGAGMQYIAFWNB-AWEZNQCLSA-N 2 0 316.424 2.690 20 0 DFADRP CCO[C@@H](CC[NH+](C)C)C[NH2+]Cc1cc2ccncc2s1 ZINC000657389497 431719587 /nfs/dbraw/zinc/71/95/87/431719587.db2.gz KHFJXIXCULKHBQ-AWEZNQCLSA-N 2 0 307.463 2.743 20 0 DFADRP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+]C[C@@H]1CCN1C(C)(C)C ZINC000657522265 431793908 /nfs/dbraw/zinc/79/39/08/431793908.db2.gz AFSQNHHNRAFOGQ-KRWDZBQOSA-N 2 0 313.449 2.538 20 0 DFADRP CCc1ccc(C[NH2+]CC2CC[NH+](C3CCOCC3)CC2)o1 ZINC000657535941 431799185 /nfs/dbraw/zinc/79/91/85/431799185.db2.gz UIMKKKXMVFJOOS-UHFFFAOYSA-N 2 0 306.450 2.823 20 0 DFADRP Fc1ccc(C[NH2+]CC2CC[NH+](C3CCOCC3)CC2)c(F)c1 ZINC000657537020 431800372 /nfs/dbraw/zinc/80/03/72/431800372.db2.gz YLGNKPVCMXSTQP-UHFFFAOYSA-N 2 0 324.415 2.945 20 0 DFADRP CCc1ncc(C[NH2+]CC2CC[NH+](C3CCOCC3)CC2)s1 ZINC000657535687 431800566 /nfs/dbraw/zinc/80/05/66/431800566.db2.gz RVFZKLHEYVKSAC-UHFFFAOYSA-N 2 0 323.506 2.686 20 0 DFADRP COc1c(C)cc(C[N@@H+]2CCOC3(CC[NH+](C)CC3)C2)cc1C ZINC000648071802 431807339 /nfs/dbraw/zinc/80/73/39/431807339.db2.gz UULKOHFSFBKSRV-UHFFFAOYSA-N 2 0 318.461 2.609 20 0 DFADRP C[NH+]1CCC2(CC1)C[N@H+](Cc1ccc(C3CC3)cc1)CCO2 ZINC000648071976 431807619 /nfs/dbraw/zinc/80/76/19/431807619.db2.gz FBCLHTBFOHGOKP-UHFFFAOYSA-N 2 0 300.446 2.861 20 0 DFADRP CC[C@H](COCC1CC1)[NH2+]Cc1cn(-c2cc[nH+]cc2)nc1C ZINC000657562957 431811225 /nfs/dbraw/zinc/81/12/25/431811225.db2.gz QKDUCKCIWKMPAY-QGZVFWFLSA-N 2 0 314.433 2.871 20 0 DFADRP C[C@@H](CN(C)CCC[NH+](C)C)[NH2+]C/C=C/c1ccc(F)cc1 ZINC000657572603 431815675 /nfs/dbraw/zinc/81/56/75/431815675.db2.gz CLJRDGOVQJATFL-YERXGYGTSA-N 2 0 307.457 2.701 20 0 DFADRP COCC(C)(C)CCC[NH2+]Cc1ccnn1-c1cc[nH+]cc1 ZINC000657467043 431767535 /nfs/dbraw/zinc/76/75/35/431767535.db2.gz FAJADDVSHNRTCU-UHFFFAOYSA-N 2 0 302.422 2.810 20 0 DFADRP C[C@@H]([NH2+]C[C@H]1CC[NH2+]C1)c1ccc(NC(=O)c2ccncc2)cc1 ZINC000647991938 431767709 /nfs/dbraw/zinc/76/77/09/431767709.db2.gz HLMQWMUMVVIXSX-CABCVRRESA-N 2 0 324.428 2.594 20 0 DFADRP CCC(O)(CC)C(C)(C)C[NH2+]Cc1ccnn1-c1cc[nH+]cc1 ZINC000657579387 431817555 /nfs/dbraw/zinc/81/75/55/431817555.db2.gz XEOKMTMAKMKKRF-UHFFFAOYSA-N 2 0 316.449 2.934 20 0 DFADRP COC[C@H](C)Oc1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc1 ZINC000657483241 431776586 /nfs/dbraw/zinc/77/65/86/431776586.db2.gz NHUBAYRAMJSJGG-MIGBEJBISA-N 2 0 318.461 2.815 20 0 DFADRP CC[C@H]1C[C@H]([NH2+]CC2CC[NH+](Cc3ccncc3)CC2)CCO1 ZINC000657612671 431824641 /nfs/dbraw/zinc/82/46/41/431824641.db2.gz CGVOBIMCYHDVFJ-MOPGFXCFSA-N 2 0 317.477 2.841 20 0 DFADRP c1ncc(C[NH2+]CC2CC[NH+](Cc3ccncc3)CC2)s1 ZINC000657613236 431825389 /nfs/dbraw/zinc/82/53/89/431825389.db2.gz JKKCOSAZQZLERJ-UHFFFAOYSA-N 2 0 302.447 2.540 20 0 DFADRP [NH3+]C[C@@H]1CCC[C@H]1C(=O)Nc1cccc(CC[NH+]2CCCC2)c1 ZINC000648154164 431826647 /nfs/dbraw/zinc/82/66/47/431826647.db2.gz CPMSNMAKTWXWSK-FUHWJXTLSA-N 2 0 315.461 2.638 20 0 DFADRP C[C@H]1CCC[C@@H](C[NH2+]Cc2ccc(OCC[NH+](C)C)cc2)O1 ZINC000657662624 431834162 /nfs/dbraw/zinc/83/41/62/431834162.db2.gz DKHBPRKISPJWCG-YJBOKZPZSA-N 2 0 306.450 2.674 20 0 DFADRP Cc1ccc(NC(=O)[C@H](C2CC2)[NH+]2CCCC2)c(C[NH+](C)C)c1 ZINC000124180519 280906784 /nfs/dbraw/zinc/90/67/84/280906784.db2.gz HJTGTKFKOJJYJC-SFHVURJKSA-N 2 0 315.461 2.870 20 0 DFADRP Cc1ccc2c(c1)[C@H]([NH2+]C1CCN(CC[NH+](C)C)CC1)[C@H](C)C2 ZINC000180078134 281116267 /nfs/dbraw/zinc/11/62/67/281116267.db2.gz RXUSROOQZHDMNW-OXQOHEQNSA-N 2 0 315.505 2.844 20 0 DFADRP Cc1cccc2c1[nH+]cc(C)c2N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000375880270 281308112 /nfs/dbraw/zinc/30/81/12/281308112.db2.gz MCUWJIQFCZORKA-INIZCTEOSA-N 2 0 311.429 2.763 20 0 DFADRP Cc1cccc2c1[nH+]cc(C)c2N1CC[C@H]2OCC[N@@H+](C)[C@H]2C1 ZINC000285090744 281309044 /nfs/dbraw/zinc/30/90/44/281309044.db2.gz QEJPNXUBRYKJGC-DLBZAZTESA-N 2 0 311.429 2.761 20 0 DFADRP Cc1cccc2c1[nH+]cc(C)c2N1CC[C@H]2OCC[N@@H+](C)[C@@H]2C1 ZINC000285090747 281309210 /nfs/dbraw/zinc/30/92/10/281309210.db2.gz QEJPNXUBRYKJGC-IAGOWNOFSA-N 2 0 311.429 2.761 20 0 DFADRP Cc1ccccc1C[NH+]1CCCN(CC[C@H]2CCC[N@H+]2C)CC1 ZINC000367215707 281342241 /nfs/dbraw/zinc/34/22/41/281342241.db2.gz LQVZLFUINGCFHX-HXUWFJFHSA-N 2 0 315.505 2.987 20 0 DFADRP Cc1ccccc1C[C@@H](C)[NH2+]CC1(O)CC[NH+](C(C)C)CC1 ZINC000269041630 281345002 /nfs/dbraw/zinc/34/50/02/281345002.db2.gz XGOLYQSFFXVGGD-QGZVFWFLSA-N 2 0 304.478 2.751 20 0 DFADRP CCC(C)(C)[NH2+][C@H](C)C(=O)NC[C@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC000355646155 282024848 /nfs/dbraw/zinc/02/48/48/282024848.db2.gz FCDZEIYFRZINAH-RKVPGOIHSA-N 2 0 311.514 2.780 20 0 DFADRP CCC(CC)(C[NH3+])C(=O)NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000236674708 282071642 /nfs/dbraw/zinc/07/16/42/282071642.db2.gz PELQTDODDVKYFQ-CQSZACIVSA-N 2 0 323.506 2.766 20 0 DFADRP C[C@@H]1C[C@@H](C)C[NH+](Cc2ccccc2CNC(=O)C(C)(C)[NH3+])C1 ZINC000164843952 288479193 /nfs/dbraw/zinc/47/91/93/288479193.db2.gz OKMYERLYPBWMCU-HUUCEWRRSA-N 2 0 317.477 2.518 20 0 DFADRP Cc1cccc2c1[C@@H](C)C[C@@H]2[NH2+]CC1CC[NH+](CCO)CC1 ZINC000153648195 289054558 /nfs/dbraw/zinc/05/45/58/289054558.db2.gz JIVGJNHNRSWOHR-YJBOKZPZSA-N 2 0 302.462 2.837 20 0 DFADRP COC[C@H](C)[NH2+][C@@H]1CC2(CC[NH+](C)CC2)Oc2ccccc21 ZINC000375020248 293035944 /nfs/dbraw/zinc/03/59/44/293035944.db2.gz MQCAOYNKYLBSSN-GOEBONIOSA-N 2 0 304.434 2.599 20 0 DFADRP C[N@@H+]1CC[C@@](O)(CNCc2cc(Cl)cc(C(F)(F)F)c2)C1 ZINC000436415770 297001789 /nfs/dbraw/zinc/00/17/89/297001789.db2.gz UIUHXZJGGMGGPF-CYBMUJFWSA-N 2 0 322.758 2.515 20 0 DFADRP O[C@@H]1CCCC[C@H]1CCC[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000436470068 297004644 /nfs/dbraw/zinc/00/46/44/297004644.db2.gz HYJMFHWPEGMESZ-QFBILLFUSA-N 2 0 317.477 2.971 20 0 DFADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]C[C@H]2CC23CCOCC3)[C@@H](C)C1 ZINC000437015007 297052594 /nfs/dbraw/zinc/05/25/94/297052594.db2.gz BSTTZQULBMWCAU-KSZLIROESA-N 2 0 324.509 2.530 20 0 DFADRP CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCC[NH+]1C1CCCCC1 ZINC000437848972 297071816 /nfs/dbraw/zinc/07/18/16/297071816.db2.gz XILHEGPOVKHPFS-ROUUACIJSA-N 2 0 321.509 2.774 20 0 DFADRP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)NC[C@H]1CCC[NH+]1C1CCCCC1 ZINC000437870770 297073021 /nfs/dbraw/zinc/07/30/21/297073021.db2.gz SSLAZBQQFCQNKG-SOLBZPMBSA-N 2 0 321.509 2.773 20 0 DFADRP [NH3+]C1CCC([NH2+]Cc2ccc(OCC[NH+]3CCCC3)cc2)CC1 ZINC000437791828 297069866 /nfs/dbraw/zinc/06/98/66/297069866.db2.gz HPRWZCCTISBKND-UHFFFAOYSA-N 3 0 317.477 2.521 20 0 DFADRP C[N@H+](CC[C@@H]1CCOC1)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000437989324 297076964 /nfs/dbraw/zinc/07/69/64/297076964.db2.gz SUYTULQKGQLOIE-QGZVFWFLSA-N 2 0 303.450 2.656 20 0 DFADRP COc1ccc(OC)c(C[N@H+](CC2CC[NH2+]CC2)C2CC2)c1 ZINC000237378455 295175578 /nfs/dbraw/zinc/17/55/78/295175578.db2.gz BJDPBXWQAHYKGC-UHFFFAOYSA-N 2 0 304.434 2.668 20 0 DFADRP COc1ccc2c(c1)OCCC[C@@H]2[NH2+]CC1CC[NH+](C)CC1 ZINC000375237490 295266107 /nfs/dbraw/zinc/26/61/07/295266107.db2.gz OEYOAHVKWRMUGQ-KRWDZBQOSA-N 2 0 304.434 2.840 20 0 DFADRP COc1ccc2c(c1)[C@H]([NH2+]CC1CC[NH+](C)CC1)CCCO2 ZINC000126187130 295273983 /nfs/dbraw/zinc/27/39/83/295273983.db2.gz DYYCINXTSCTJEJ-QGZVFWFLSA-N 2 0 304.434 2.840 20 0 DFADRP C[C@H](C[NH2+]CC1CC[NH+](CCO)CC1)c1cccc(Cl)c1 ZINC000153988448 295289609 /nfs/dbraw/zinc/28/96/09/295289609.db2.gz RKDTZVYVKTUJRE-CQSZACIVSA-N 2 0 310.869 2.737 20 0 DFADRP CCc1nc(C)c([C@@H](C)[NH2+]CCCC[NH+]2CCN(C)CC2)s1 ZINC000154342374 295297811 /nfs/dbraw/zinc/29/78/11/295297811.db2.gz BRBBMCBVTITAKN-CQSZACIVSA-N 2 0 324.538 2.692 20 0 DFADRP CN1CC[NH+](CCCC[NH2+][C@H]2CCSc3ccccc32)CC1 ZINC000154362004 295298679 /nfs/dbraw/zinc/29/86/79/295298679.db2.gz TXUMFRWPXXLURQ-KRWDZBQOSA-N 2 0 319.518 2.841 20 0 DFADRP Cc1nc(C(C)C)sc1[C@@H](C)[NH2+][C@H](C)CN1CC[NH+](C)CC1 ZINC000154931001 295309505 /nfs/dbraw/zinc/30/95/05/295309505.db2.gz BLNGOFCZRALDTH-ZIAGYGMSSA-N 2 0 324.538 2.861 20 0 DFADRP CC[NH+]1CCN([C@H](C)C[NH2+][C@H](C)C(C)(C)c2ccccc2)CC1 ZINC000155572419 295321431 /nfs/dbraw/zinc/32/14/31/295321431.db2.gz WUWXXNHBZBYFPB-QZTJIDSGSA-N 2 0 317.521 2.968 20 0 DFADRP C[C@@H]([NH2+]C[C@H]1CCC[N@H+](C)C1)c1cccc(N2CCOC2=O)c1 ZINC000158167907 295359308 /nfs/dbraw/zinc/35/93/08/295359308.db2.gz ATFCVZGTJKZFTK-HUUCEWRRSA-N 2 0 317.433 2.636 20 0 DFADRP CCC[C@H]([NH2+]CCN1CCC([NH+](C)C)CC1)c1ccccn1 ZINC000159308099 295375283 /nfs/dbraw/zinc/37/52/83/295375283.db2.gz YXYLPOZZVDZZPF-KRWDZBQOSA-N 2 0 304.482 2.538 20 0 DFADRP Cc1ccc(C[NH2+]CC2(O)CC[NH+](Cc3ccccc3)CC2)o1 ZINC000397515322 295487893 /nfs/dbraw/zinc/48/78/93/295487893.db2.gz SCPURFQNLQSDTA-UHFFFAOYSA-N 2 0 314.429 2.705 20 0 DFADRP CC(C)[NH+]1CCC(NC(=O)C[NH2+][C@H]2CCC(C)(C)C[C@H]2C)CC1 ZINC000411550687 295546025 /nfs/dbraw/zinc/54/60/25/295546025.db2.gz LELLNDRXSDCBLD-WBVHZDCISA-N 2 0 323.525 2.780 20 0 DFADRP CSC1(C[NH2+]C2CC[NH+](C(C)(C)C)CC2)CC[NH+](C)CC1 ZINC000353655415 295581430 /nfs/dbraw/zinc/58/14/30/295581430.db2.gz GBWNXBBRXUJNRR-UHFFFAOYSA-N 3 0 313.555 2.666 20 0 DFADRP c1ccc(CC[N@H+]2CC[C@H](C[NH2+]CC[C@H]3CCOC3)C2)cc1 ZINC000438218153 297085084 /nfs/dbraw/zinc/08/50/84/297085084.db2.gz XWWOCRHVKHWNAE-RBUKOAKNSA-N 2 0 302.462 2.567 20 0 DFADRP COc1cc(NC(C)=O)ccc1[C@H](C)[NH2+]CC1CC[NH+](C)CC1 ZINC000438997945 297111215 /nfs/dbraw/zinc/11/12/15/297111215.db2.gz SGSRXTNUCDTDGU-ZDUSSCGKSA-N 2 0 319.449 2.646 20 0 DFADRP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)N(CC[NH+](C)C)Cc1cccs1 ZINC000439027181 297112527 /nfs/dbraw/zinc/11/25/27/297112527.db2.gz NMNXWOJTQZCGBG-HUUCEWRRSA-N 2 0 323.506 2.511 20 0 DFADRP CCOc1c(OC)cc(C[N@@H+]2CCC[C@H](CC[NH3+])C2)cc1OC ZINC000442922281 297211281 /nfs/dbraw/zinc/21/12/81/297211281.db2.gz KEMKEVLCDHGHDB-CQSZACIVSA-N 2 0 322.449 2.663 20 0 DFADRP CCc1ccc(-c2noc(C[N@@H+]3CCC[C@@H](CC[NH3+])C3)n2)cc1 ZINC000443055244 297213454 /nfs/dbraw/zinc/21/34/54/297213454.db2.gz AZYKTEFSQPDAAE-HNNXBMFYSA-N 2 0 314.433 2.860 20 0 DFADRP Cc1ccccc1[C@H](C)NC(=O)[C@@H](C)[N@@H+]1CCC[C@H](CC[NH3+])C1 ZINC000443059889 297213737 /nfs/dbraw/zinc/21/37/37/297213737.db2.gz NSKOZGIEXGMHPF-GVDBMIGSSA-N 2 0 317.477 2.622 20 0 DFADRP C[N@@H+]1CCN(CC[NH2+][C@@H]2CS[C@H](C(C)(C)C)C2)CC1(C)C ZINC000443068371 297214926 /nfs/dbraw/zinc/21/49/26/297214926.db2.gz KNBBBOUUEPJPRL-GJZGRUSLSA-N 2 0 313.555 2.522 20 0 DFADRP Cc1ccc([C@@H](C)NC(=O)C[N@@H+]2CCC[C@H](CC[NH3+])C2)cc1C ZINC000443068428 297214962 /nfs/dbraw/zinc/21/49/62/297214962.db2.gz ICOBGTUZEJCNLE-IAGOWNOFSA-N 2 0 317.477 2.541 20 0 DFADRP CC1=CCC[C@H](C)[C@H]1C[NH2+][C@@H](CC(C)C)C(=O)NCC[NH+](C)C ZINC000443640674 297223721 /nfs/dbraw/zinc/22/37/21/297223721.db2.gz NVARDICWMHIMRZ-BZSNNMDCSA-N 2 0 323.525 2.661 20 0 DFADRP COC(=O)[C@H]1CCCCCC[C@@H]1[NH2+]CCC[NH+]1CCCCC1 ZINC000444640398 297242661 /nfs/dbraw/zinc/24/26/61/297242661.db2.gz CUUBDCQSHJGDSK-IRXDYDNUSA-N 2 0 310.482 2.964 20 0 DFADRP c1nc([C@H]2CCCO2)sc1C[NH2+]CC1CC[NH+](C2CC2)CC1 ZINC000446885728 297289666 /nfs/dbraw/zinc/28/96/66/297289666.db2.gz YIAARVFEVLGENS-MRXNPFEDSA-N 2 0 321.490 2.959 20 0 DFADRP COCCOc1cccc(C[NH2+]CC2CC[NH+](C3CC3)CC2)c1 ZINC000446890732 297289691 /nfs/dbraw/zinc/28/96/91/297289691.db2.gz OOQIPJSDRJYSDB-UHFFFAOYSA-N 2 0 318.461 2.676 20 0 DFADRP CC[N@@H+]1CC[C@H]([NH+](C)CCC(=O)Nc2ccc(C)cn2)C[C@@H]1C ZINC000447007939 297292591 /nfs/dbraw/zinc/29/25/91/297292591.db2.gz RVKSQZZWDRUIGZ-HOTGVXAUSA-N 2 0 318.465 2.523 20 0 DFADRP OC[C@@H](CC(F)F)[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000447603720 297310613 /nfs/dbraw/zinc/31/06/13/297310613.db2.gz YRQYULMNBZSUDN-WCXIOVBPSA-N 2 0 324.415 2.788 20 0 DFADRP CC[NH+](CC)CCO[C@@H]1CC[N@H+](Cc2cc3cccnc3o2)C1 ZINC000449039564 297395986 /nfs/dbraw/zinc/39/59/86/297395986.db2.gz ZWEBUHBHTZCUHM-MRXNPFEDSA-N 2 0 317.433 2.761 20 0 DFADRP CC[C@H]([NH2+]Cc1ccc(N2CC[NH+](C)CC2)nc1)C1CCC1 ZINC000449078529 297401746 /nfs/dbraw/zinc/40/17/46/297401746.db2.gz YHBNLTFQUQMLAT-KRWDZBQOSA-N 2 0 302.466 2.502 20 0 DFADRP C[NH2+][C@H](CC(C)(C)C)C(=O)NC[C@@H](c1ccc(F)cc1)[NH+](C)C ZINC000449096208 297404721 /nfs/dbraw/zinc/40/47/21/297404721.db2.gz FQHSEHMEGFOGSN-CVEARBPZSA-N 2 0 323.456 2.569 20 0 DFADRP COCCOCC[NH2+]C1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC000449099353 297405165 /nfs/dbraw/zinc/40/51/65/297405165.db2.gz SULSWNIJNWAUPS-UHFFFAOYSA-N 2 0 314.514 2.918 20 0 DFADRP C[NH2+][C@H](CC(C)(C)C)C(=O)NCc1ccc(C[NH+](C)C)c(F)c1 ZINC000449166994 297416850 /nfs/dbraw/zinc/41/68/50/297416850.db2.gz HKBDPOAAJNUSOI-MRXNPFEDSA-N 2 0 323.456 2.528 20 0 DFADRP Clc1ccc(CC[NH+]2CCC(C[NH+]3CCOCC3)CC2)cc1 ZINC000450266181 297604294 /nfs/dbraw/zinc/60/42/94/297604294.db2.gz OHFOALYGIJWRIY-UHFFFAOYSA-N 2 0 322.880 2.927 20 0 DFADRP CC[NH+]1CCN(CC(C)(C)[NH2+]Cc2c(C)cccc2C)CC1 ZINC000451988737 297909640 /nfs/dbraw/zinc/90/96/40/297909640.db2.gz PKNHVVWHTYVEQF-UHFFFAOYSA-N 2 0 303.494 2.809 20 0 DFADRP C[C@H](Cc1cnccn1)[NH2+]Cc1cccc(C[NH+]2CCCC2)c1 ZINC000453060264 298058458 /nfs/dbraw/zinc/05/84/58/298058458.db2.gz BYLDMMCDEPOFOE-MRXNPFEDSA-N 2 0 310.445 2.793 20 0 DFADRP COCCC[NH+]1CCC([NH2+][C@@H](C)CCCc2cccnc2)CC1 ZINC000453085277 298060767 /nfs/dbraw/zinc/06/07/67/298060767.db2.gz FYKJBIYRDKNUHB-KRWDZBQOSA-N 2 0 319.493 2.883 20 0 DFADRP C[N@@H+]1CCCN(CCC[NH2+]C2CCc3ccccc3CC2)CC1 ZINC000453096834 298061645 /nfs/dbraw/zinc/06/16/45/298061645.db2.gz IMJXGMRRKNCXLC-UHFFFAOYSA-N 2 0 315.505 2.551 20 0 DFADRP C[C@H](O)CC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H]2CCC[C@H]21 ZINC000453124712 298065129 /nfs/dbraw/zinc/06/51/29/298065129.db2.gz OWTZUMMTUIKCBY-GDAAHCPNSA-N 2 0 302.462 2.790 20 0 DFADRP O[C@@H]1CCC[C@H]1[NH+]1CCC([NH2+][C@@H](C2CC2)C2CCCC2)CC1 ZINC000453173872 298068547 /nfs/dbraw/zinc/06/85/47/298068547.db2.gz ZEWVIXGAPIAWCU-GUDVDZBRSA-N 2 0 306.494 2.923 20 0 DFADRP O[C@@H]1CCC[C@@H]1[NH+]1CCC([NH2+][C@H](C2CC2)C2CCCC2)CC1 ZINC000453173878 298068832 /nfs/dbraw/zinc/06/88/32/298068832.db2.gz ZEWVIXGAPIAWCU-OTWHNJEPSA-N 2 0 306.494 2.923 20 0 DFADRP OCCCC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H]2CCC[C@H]21 ZINC000453212325 298071440 /nfs/dbraw/zinc/07/14/40/298071440.db2.gz HVQXQWXZMNPDKU-IPMKNSEASA-N 2 0 302.462 2.792 20 0 DFADRP C[C@@H](Cc1cnccn1)[NH2+]C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000453217536 298072677 /nfs/dbraw/zinc/07/26/77/298072677.db2.gz LWROHUVSMFCMQZ-WMZOPIPTSA-N 2 0 310.445 2.519 20 0 DFADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CC2(OC)CCCC2)[C@@H](C)C1 ZINC000453223181 298072834 /nfs/dbraw/zinc/07/28/34/298072834.db2.gz LONLVQWUYVPHCM-DLBZAZTESA-N 2 0 312.498 2.672 20 0 DFADRP C[C@H]([NH2+][C@@H]1CCOC1(C)C)c1cccc(OCC[NH+](C)C)c1 ZINC000453298256 298081100 /nfs/dbraw/zinc/08/11/00/298081100.db2.gz SFLKYVHMBXSGFV-WMLDXEAASA-N 2 0 306.450 2.845 20 0 DFADRP CC[C@H](O)[C@H](CC)[NH2+][C@H](C)c1cccc(OCC[NH+](C)C)c1 ZINC000453378391 298088256 /nfs/dbraw/zinc/08/82/56/298088256.db2.gz QMKIODYDOPVAGJ-JLSDUUJJSA-N 2 0 308.466 2.827 20 0 DFADRP CC[N@@H+]1CC[C@H]([NH2+][C@@H](CO)Cc2ccc(C)c(C)c2)[C@H](C)C1 ZINC000453411336 298091658 /nfs/dbraw/zinc/09/16/58/298091658.db2.gz AKEGPDLRVWXVPZ-QRQLOZEOSA-N 2 0 304.478 2.527 20 0 DFADRP C[NH+](C)Cc1cccc(NC(=O)NCCCC[N@H+](C)C2CC2)c1 ZINC000454353819 298160455 /nfs/dbraw/zinc/16/04/55/298160455.db2.gz CUIXRJXNFOJROY-UHFFFAOYSA-N 2 0 318.465 2.744 20 0 DFADRP C[C@H](c1cccc(F)c1)N1CC[NH+](CC2CC[NH2+]CC2)CC1 ZINC000455653609 298396453 /nfs/dbraw/zinc/39/64/53/298396453.db2.gz JLJULJMOOFGYLZ-OAHLLOKOSA-N 2 0 305.441 2.504 20 0 DFADRP c1ccc(-c2nnc([C@@H]3CCC[N@H+]3CC3CC[NH2+]CC3)[nH]2)cc1 ZINC000455664119 298399013 /nfs/dbraw/zinc/39/90/13/298399013.db2.gz SZIWSDVLHXODEA-INIZCTEOSA-N 2 0 311.433 2.608 20 0 DFADRP C[NH+](C)C1CC([NH2+][C@H]2CCC[C@H](NC(=O)OC(C)(C)C)C2)C1 ZINC000496128068 300019322 /nfs/dbraw/zinc/01/93/22/300019322.db2.gz YSTKUNANRZQHJB-HESLUPGFSA-N 2 0 311.470 2.505 20 0 DFADRP C[C@H]([NH2+]CC1(C)CC[NH2+]CC1)c1cccc(N2CCOC2=O)c1 ZINC000496163005 300024367 /nfs/dbraw/zinc/02/43/67/300024367.db2.gz YXCSREITOILCCL-AWEZNQCLSA-N 2 0 317.433 2.684 20 0 DFADRP C[C@@H]([NH2+]CC[C@H]1CCC[NH2+]C1)c1cccc(N2CCOC2=O)c1 ZINC000496220285 300031867 /nfs/dbraw/zinc/03/18/67/300031867.db2.gz WTXVNOPIBHQLNR-HUUCEWRRSA-N 2 0 317.433 2.684 20 0 DFADRP C[C@H](C[C@H](C)NC(=O)OC(C)(C)C)[NH2+]CC(C)(C)C[NH+](C)C ZINC000496282410 300040620 /nfs/dbraw/zinc/04/06/20/300040620.db2.gz IXGMMYNXSQAJAE-KGLIPLIRSA-N 2 0 315.502 2.856 20 0 DFADRP C[C@H]([NH2+]CCC[C@H]1CCC[NH2+]1)c1cccc(N2CCOC2=O)c1 ZINC000496460710 300066324 /nfs/dbraw/zinc/06/63/24/300066324.db2.gz LRODWADDJTTYJQ-HOCLYGCPSA-N 2 0 317.433 2.826 20 0 DFADRP [NH3+][C@H]1CCC[C@@H]1[NH2+]CCCCCNC(=O)OCc1ccccc1 ZINC000496638092 300091500 /nfs/dbraw/zinc/09/15/00/300091500.db2.gz AKHNCRZULAWYKP-IRXDYDNUSA-N 2 0 319.449 2.553 20 0 DFADRP Cc1nccn1CC[N@@H+](C)C1(CNC(=O)OC(C)(C)C)CCC1 ZINC000496962975 300139134 /nfs/dbraw/zinc/13/91/34/300139134.db2.gz NPSFQUXSRXZLHE-UHFFFAOYSA-N 2 0 322.453 2.571 20 0 DFADRP C[C@@H](CCCC[NH3+])[NH2+][C@@H](C)c1cccc(N2CCOC2=O)c1 ZINC000496991897 300143601 /nfs/dbraw/zinc/14/36/01/300143601.db2.gz UWBGKGLFFBCDJP-KBPBESRZSA-N 2 0 305.422 2.811 20 0 DFADRP O=C1O[C@@]2(CN1C[NH+]1CCCCCCCC1)C[NH+]1CCC2CC1 ZINC000497008257 300146718 /nfs/dbraw/zinc/14/67/18/300146718.db2.gz NYADEFPQWZYCFJ-GOSISDBHSA-N 2 0 321.465 2.517 20 0 DFADRP CC(C)[C@H]([NH3+])C[NH2+][C@H]1CCCN(C(=O)Oc2ccccc2)CC1 ZINC000497125242 300165420 /nfs/dbraw/zinc/16/54/20/300165420.db2.gz DUSOXMMOXZQUML-DOTOQJQBSA-N 2 0 319.449 2.613 20 0 DFADRP C/C(=C/c1ccccc1)C[NH2+][C@@H](C)CCN1CC[NH+](C)CC1 ZINC000500387308 300206889 /nfs/dbraw/zinc/20/68/89/300206889.db2.gz WBTXIEVJNDHWSZ-SOBQPUOHSA-N 2 0 301.478 2.706 20 0 DFADRP CCC[C@H](C)[NH+]1CCN(c2ccccc2OCC[NH+](C)C)CC1 ZINC000500994441 300210016 /nfs/dbraw/zinc/21/00/16/300210016.db2.gz UFUQOAWNCLDUDU-KRWDZBQOSA-N 2 0 319.493 2.938 20 0 DFADRP c1ccc(N2CCN(CCC[N@@H+]3C[C@@H]4CCC[C@@H]4C3)CC2)cc1 ZINC000509380758 300241012 /nfs/dbraw/zinc/24/10/12/300241012.db2.gz UWOUWHPKGGMIQF-KDURUIRLSA-N 2 0 313.489 2.931 20 0 DFADRP C[C@@H]1C[C@H](C[N@@H+]2CC[C@@H](N(C)CCc3ccccc3)C2)CC[NH2+]1 ZINC000514734964 300269033 /nfs/dbraw/zinc/26/90/33/300269033.db2.gz QSKDCXAGILWNON-MISYRCLQSA-N 2 0 315.505 2.623 20 0 DFADRP CC(C)[C@H]1C[C@H](Nc2c[nH+]ccc2N2CC[NH+](C)CC2)CS1 ZINC000514903030 300278418 /nfs/dbraw/zinc/27/84/18/300278418.db2.gz LJNFSOJLZCYGHS-WMLDXEAASA-N 2 0 320.506 2.775 20 0 DFADRP COc1cccc(N2CCC[C@H]([NH2+][C@@H](C)[C@@H]3CCC[NH2+]C3)C2)c1 ZINC000514930473 300279931 /nfs/dbraw/zinc/27/99/31/300279931.db2.gz IIKSZSYBDCDBER-BBWFWOEESA-N 2 0 317.477 2.642 20 0 DFADRP CCOc1cc(C[NH2+][C@H](C)C[C@@H](C)[NH3+])cc(Cl)c1OC ZINC000514937865 300280816 /nfs/dbraw/zinc/28/08/16/300280816.db2.gz ILTLEGJLPMADRO-GHMZBOCLSA-N 2 0 300.830 2.963 20 0 DFADRP Cc1nc2cc(CNC(=O)c3coc(C[NH3+])c3)ccc2n1C1CC1 ZINC000515299029 300298801 /nfs/dbraw/zinc/29/88/01/300298801.db2.gz FXMUTHGXPJMWMR-UHFFFAOYSA-N 2 0 324.384 2.661 20 0 DFADRP Cc1ccc(C[N@H+]2CC[C@H](CN(C)Cc3nccn3C)C2)s1 ZINC000515465730 300308480 /nfs/dbraw/zinc/30/84/80/300308480.db2.gz KLQRIFFLYYWOMR-OAHLLOKOSA-N 2 0 318.490 2.744 20 0 DFADRP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1[NH2+]Cc1cccc(-c2cccnc2)c1 ZINC000516173917 300332503 /nfs/dbraw/zinc/33/25/03/300332503.db2.gz MUSKRZDQPKWMMW-JVPBZIDWSA-N 2 0 311.429 2.591 20 0 DFADRP Cc1cc(NC[C@H]2CCCC[N@@H+]2C2CC2)nc(-c2ccncc2)n1 ZINC000516236007 300335741 /nfs/dbraw/zinc/33/57/41/300335741.db2.gz DIQRKQBDGAVDTC-QGZVFWFLSA-N 2 0 323.444 2.698 20 0 DFADRP CCCCC[C@@H]1CCC[N@@H+]1C[C@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC000516301521 300339177 /nfs/dbraw/zinc/33/91/77/300339177.db2.gz UCAWTRSCQDSNSC-QYZOEREBSA-N 2 0 304.478 2.962 20 0 DFADRP COc1ccc([C@@H](NCC2([NH3+])CCCCC2)[C@H]2CCC[NH2+]2)cc1 ZINC000516449630 300342752 /nfs/dbraw/zinc/34/27/52/300342752.db2.gz ADVTURCZTIVKCX-QZTJIDSGSA-N 2 0 317.477 2.740 20 0 DFADRP [NH3+][C@H]1CCC[C@@H](C[NH2+]Cc2c(C3CC3)nc3sccn23)C1 ZINC000516551190 300348252 /nfs/dbraw/zinc/34/82/52/300348252.db2.gz URAXDZTYOONLNL-YPMHNXCESA-N 2 0 304.463 2.880 20 0 DFADRP CCC[C@H](C)[C@H]1CCC[N@@H+]1C[C@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC000516932079 300370272 /nfs/dbraw/zinc/37/02/72/300370272.db2.gz AIYODCVBARFQPD-KANFNMMFSA-N 2 0 304.478 2.818 20 0 DFADRP CC1CCC(O)(C[NH2+]Cc2ccc(CC[NH+](C)C)cc2)CC1 ZINC000517025681 300378694 /nfs/dbraw/zinc/37/86/94/300378694.db2.gz DGKSXICUNWEGLV-UHFFFAOYSA-N 2 0 304.478 2.822 20 0 DFADRP CCOC(=O)[C@@H]1CC[C@H]([NH2+]Cc2ccc(C[NH3+])cc2)C[C@H]1C ZINC000517030035 300379009 /nfs/dbraw/zinc/37/90/09/300379009.db2.gz HKERJQCRSMLALK-XOKHGSTOSA-N 2 0 304.434 2.603 20 0 DFADRP COc1ccc(OCCCN2CC3CCC2(C[NH3+])CC3)cc1 ZINC000517390967 300395329 /nfs/dbraw/zinc/39/53/29/300395329.db2.gz LJGORACEFNWBEQ-UHFFFAOYSA-N 2 0 304.434 2.667 20 0 DFADRP [NH3+][C@H]1CCC[C@H]([NH2+]CCCC(=O)Nc2ccc(Cl)cc2)C1 ZINC000518999537 300440734 /nfs/dbraw/zinc/44/07/34/300440734.db2.gz DZEXSSQJFLSLNC-ZFWWWQNUSA-N 2 0 309.841 2.918 20 0 DFADRP CCC[NH+]1CCC([NH2+][C@@H]2CCC[C@H](c3ccnn3C)C2)CC1 ZINC000520720936 300506878 /nfs/dbraw/zinc/50/68/78/300506878.db2.gz DHHSRSNLNIQVFW-DOTOQJQBSA-N 2 0 304.482 2.910 20 0 DFADRP C[C@H]([NH3+])[C@@H]1COCC[C@H]1[NH2+]CC1CCc2ccccc2CC1 ZINC000530214331 301029297 /nfs/dbraw/zinc/02/92/97/301029297.db2.gz XTMXYTPVEVKOLO-ZOCIIQOWSA-N 2 0 302.462 2.524 20 0 DFADRP C[C@H](N[C@H]1CC[NH2+]C12CCC2)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000530215202 301029756 /nfs/dbraw/zinc/02/97/56/301029756.db2.gz FCMQZSZNMZSVSD-UHOSZYNNSA-N 2 0 313.489 2.771 20 0 DFADRP C[C@H](N[C@H]1CC[NH2+]C12CCC2)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000530215203 301030012 /nfs/dbraw/zinc/03/00/12/301030012.db2.gz FCMQZSZNMZSVSD-WDSOQIARSA-N 2 0 313.489 2.771 20 0 DFADRP CO[C@H](Cc1ccc(F)cc1)C[N@H+](C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000530216925 301030561 /nfs/dbraw/zinc/03/05/61/301030561.db2.gz DKEWDHMCMZVDPX-UJJTZGENSA-N 2 0 306.425 2.598 20 0 DFADRP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+]C[C@@H]1c2ccccc2C(=O)N1C ZINC000530219956 301030839 /nfs/dbraw/zinc/03/08/39/301030839.db2.gz ACEBXAMXTFTQIZ-IIDMSEBBSA-N 2 0 315.461 2.714 20 0 DFADRP CC(C)C[N@H+](CCc1ccc(F)cc1)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000530238335 301033155 /nfs/dbraw/zinc/03/31/55/301033155.db2.gz PFICOAJVJJNHAY-GOSISDBHSA-N 2 0 320.452 2.847 20 0 DFADRP Clc1ccc(C[NH+]2CCC(CO[C@H]3CC[NH2+]C3)CC2)cc1 ZINC000530238862 301033495 /nfs/dbraw/zinc/03/34/95/301033495.db2.gz OPRRBQUYYOYGQO-KRWDZBQOSA-N 2 0 308.853 2.931 20 0 DFADRP CCOc1cccc(C[NH+]2CCC(CO[C@H]3CC[NH2+]C3)CC2)c1 ZINC000530248369 301033791 /nfs/dbraw/zinc/03/37/91/301033791.db2.gz KDPRYYZGGFZWEA-IBGZPJMESA-N 2 0 318.461 2.676 20 0 DFADRP Clc1csc(C[NH+]2CCC(CO[C@H]3CC[NH2+]C3)CC2)c1 ZINC000530249344 301033959 /nfs/dbraw/zinc/03/39/59/301033959.db2.gz WCBHYJDKDXRJQO-AWEZNQCLSA-N 2 0 314.882 2.992 20 0 DFADRP C(=C\c1ccccc1)\C[NH+]1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000530249309 301034187 /nfs/dbraw/zinc/03/41/87/301034187.db2.gz VAHNYLFITLJXBG-OCTSTCLRSA-N 2 0 300.446 2.790 20 0 DFADRP C[C@@H](CN1CC[NH+](C)CC1)[NH2+][C@@H](CC1CC1)c1ccccc1 ZINC000531720178 301105938 /nfs/dbraw/zinc/10/59/38/301105938.db2.gz QQXVZAFRFLKZNP-LPHOPBHVSA-N 2 0 301.478 2.753 20 0 DFADRP CC[N@@H+]1CC[C@H](C[NH2+][C@@H](C)c2ccc3c(c2)CCC(=O)N3)C1 ZINC000531954934 301120917 /nfs/dbraw/zinc/12/09/17/301120917.db2.gz IKVLAAYNQNNNFF-UONOGXRCSA-N 2 0 301.434 2.564 20 0 DFADRP COc1cc(C)ccc1[C@H](C)[NH2+]CCCC[N@@H+]1CCC[C@H]1CO ZINC000531970034 301122223 /nfs/dbraw/zinc/12/22/23/301122223.db2.gz BAVNPBLWZPZBAM-IRXDYDNUSA-N 2 0 320.477 2.891 20 0 DFADRP Cc1cn2c(n1)[C@@H](C[NH2+]C1CC[NH+](CC3CC3)CC1)CCC2 ZINC000531988332 301123750 /nfs/dbraw/zinc/12/37/50/301123750.db2.gz GMPHVPIHASJETE-MRXNPFEDSA-N 2 0 302.466 2.533 20 0 DFADRP COCCN1CCC([NH2+][C@@H](C)c2ccc(C)cc2OC)CC1 ZINC000532212152 301137154 /nfs/dbraw/zinc/13/71/54/301137154.db2.gz WTYNESDESNETQE-HNNXBMFYSA-N 2 0 306.450 2.765 20 0 DFADRP C[C@@H](C[NH2+][C@@H]1CCc2c1cccc2Cl)CN1CC[NH+](C)CC1 ZINC000532216425 301137168 /nfs/dbraw/zinc/13/71/68/301137168.db2.gz QCTFXSFLVRKRQV-KBXCAEBGSA-N 2 0 321.896 2.800 20 0 DFADRP CC[C@@H]1CCC[C@H]1[NH2+]Cc1cccc(C(=O)NCC[NH+](C)C)c1 ZINC000532221124 301137543 /nfs/dbraw/zinc/13/75/43/301137543.db2.gz RZAWPSLVNQPRAK-SJLPKXTDSA-N 2 0 317.477 2.646 20 0 DFADRP C[C@@H](CC(=O)N1CCCCCC1)[NH2+]C1CC[NH+](C2CCC2)CC1 ZINC000532461964 301154429 /nfs/dbraw/zinc/15/44/29/301154429.db2.gz RWCSLMKJUOWEAH-INIZCTEOSA-N 2 0 321.509 2.774 20 0 DFADRP CC[C@H](C)[C@H](C)[NH2+][C@@H](CN1CC[NH+](C)CC1)c1ccccc1 ZINC000532497876 301156016 /nfs/dbraw/zinc/15/60/16/301156016.db2.gz XZGYXCQXQIXKOI-LNLFQRSKSA-N 2 0 303.494 2.999 20 0 DFADRP C[C@@H]1CC[N@H+](CCNC2CC[NH+]([C@H]3CCC[C@@H](C)C3)CC2)C1 ZINC000532531760 301158705 /nfs/dbraw/zinc/15/87/05/301158705.db2.gz CLZAYBRWLHNTJU-LMMKCTJWSA-N 2 0 307.526 2.961 20 0 DFADRP C[C@H](CCC(=O)N(CC[NH+](C)C)CC[NH+](C)C)c1ccccc1 ZINC000532760286 301170735 /nfs/dbraw/zinc/17/07/35/301170735.db2.gz JGCXYUJWUVFXCB-QGZVFWFLSA-N 2 0 319.493 2.522 20 0 DFADRP CC(C)[N@H+](C)CC1CCN([C@@H](C)C(=O)Nc2nccs2)CC1 ZINC000533408602 301200509 /nfs/dbraw/zinc/20/05/09/301200509.db2.gz ARLXWGGBCNCRBA-ZDUSSCGKSA-N 2 0 324.494 2.522 20 0 DFADRP COC(=O)c1ccc(CN2CCC(Nc3ccccn3)CC2)o1 ZINC000534859549 301238848 /nfs/dbraw/zinc/23/88/48/301238848.db2.gz ATGSYLFYEWZQCI-UHFFFAOYSA-N 2 0 315.373 2.538 20 0 DFADRP COC(=O)c1cc(C[NH+]2CCC(CCC[NH+](C)C)CC2)c(C)o1 ZINC000535043759 301244890 /nfs/dbraw/zinc/24/48/90/301244890.db2.gz PRGLDNNFIZJANJ-UHFFFAOYSA-N 2 0 322.449 2.928 20 0 DFADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)[C@@H]1CC[C@@H]2CCCC[C@H]2C1 ZINC000535229318 301251660 /nfs/dbraw/zinc/25/16/60/301251660.db2.gz KZNMXDUCFHMYJU-OKZBNKHCSA-N 2 0 323.525 2.545 20 0 DFADRP CCC[C@@H]1CN(CC(C)C[N@@H+]2CCO[C@H](CCC)C2)CCO1 ZINC000536181134 301269784 /nfs/dbraw/zinc/26/97/84/301269784.db2.gz RMQUHYDLTVCMSK-QZTJIDSGSA-N 2 0 312.498 2.624 20 0 DFADRP CC[N@H+](Cc1ccc(C(=O)N(C)CCC[NH+](C)C)cc1)C(C)C ZINC000537215035 301296309 /nfs/dbraw/zinc/29/63/09/301296309.db2.gz LHTRFNCTVYZMEN-UHFFFAOYSA-N 2 0 319.493 2.941 20 0 DFADRP C[C@H]([NH2+]CCCC[NH+]1CCN(C)CC1)c1cccc(F)c1F ZINC000538454533 301321721 /nfs/dbraw/zinc/32/17/21/301321721.db2.gz XIFAMFAMWROEIM-AWEZNQCLSA-N 2 0 311.420 2.643 20 0 DFADRP Cc1ccc2c(c1)[C@H]([NH2+]CCCC[NH+]1CCN(C)CC1)[C@H](C)C2 ZINC000538709292 301328626 /nfs/dbraw/zinc/32/86/26/301328626.db2.gz CEZQELKIXZHRHK-YLJYHZDGSA-N 2 0 315.505 2.846 20 0 DFADRP CC[C@H]([NH2+]C1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1)C1CCOCC1 ZINC000539060428 301337301 /nfs/dbraw/zinc/33/73/01/301337301.db2.gz HJDSFJLHAOSVEP-IPMKNSEASA-N 2 0 324.509 2.549 20 0 DFADRP Cc1ccsc1C[N@H+]1CC[C@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000539824398 301351433 /nfs/dbraw/zinc/35/14/33/301351433.db2.gz CDBUPASPLXPOFG-INIZCTEOSA-N 2 0 307.507 2.657 20 0 DFADRP CC[N@H+](CCC1CC[NH+](CC(=O)NCC(C)C)CC1)CC1CC1 ZINC000540049424 301356747 /nfs/dbraw/zinc/35/67/47/301356747.db2.gz MZTFLXHEMZLRRH-UHFFFAOYSA-N 2 0 323.525 2.593 20 0 DFADRP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+]CC1C[C@@H](C)O[C@H](C)C1 ZINC000545252811 301470466 /nfs/dbraw/zinc/47/04/66/301470466.db2.gz SLMPNGDNDAOEBL-ZIAGYGMSSA-N 2 0 314.433 2.869 20 0 DFADRP CC(C)[C@@H]1CC[C@@H]1[NH2+]CC1(N2CCCCC2)CC[NH+](C)CC1 ZINC000552043305 301678274 /nfs/dbraw/zinc/67/82/74/301678274.db2.gz GYSQBYJBUHFWPB-ROUUACIJSA-N 2 0 307.526 2.961 20 0 DFADRP CC[C@H]1CCC[C@H]([NH2+]CC(=O)NCC[NH+]2CCCCCC2)C1 ZINC000552065326 301679489 /nfs/dbraw/zinc/67/94/89/301679489.db2.gz QXUACSYDKDWIEE-IRXDYDNUSA-N 2 0 309.498 2.537 20 0 DFADRP c1ccc(C[NH+]2CCN(CC[NH2+][C@H]3CCC[C@H]4C[C@H]43)CC2)cc1 ZINC000558699237 301856828 /nfs/dbraw/zinc/85/68/28/301856828.db2.gz FJTBJSBOCCNCOP-ZCNNSNEGSA-N 2 0 313.489 2.582 20 0 DFADRP Cc1noc(C[C@H]([NH2+][C@H](C)[C@@H]2CCC[NH2+]C2)c2ccccc2)n1 ZINC000562957069 302017558 /nfs/dbraw/zinc/01/75/58/302017558.db2.gz LMMSDYRWDUOSID-XYPHTWIQSA-N 2 0 314.433 2.640 20 0 DFADRP Cc1noc(C[C@H]([NH2+][C@@H](C)[C@@H]2CCC[NH2+]C2)c2ccccc2)n1 ZINC000562957067 302017718 /nfs/dbraw/zinc/01/77/18/302017718.db2.gz LMMSDYRWDUOSID-XKQJLSEDSA-N 2 0 314.433 2.640 20 0 DFADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+][C@@H]1CCCC[C@H]1N1CCOCC1 ZINC000562958969 302017866 /nfs/dbraw/zinc/01/78/66/302017866.db2.gz ZSFIWHHIEYJBBY-FCGDIQPGSA-N 2 0 323.525 2.530 20 0 DFADRP COC1CC[NH+](C2(CN[C@@H]3CCCC[C@H]3C[NH3+])CCCC2)CC1 ZINC000562959220 302018056 /nfs/dbraw/zinc/01/80/56/302018056.db2.gz IQQBPPBWRAOEBV-FUHWJXTLSA-N 3 0 323.525 2.517 20 0 DFADRP C[N@H+](C[C@H](O)CN[C@@H]1CCCOc2c(Cl)cccc21)C1CC1 ZINC000562992325 302022266 /nfs/dbraw/zinc/02/22/66/302022266.db2.gz ONYSWRSCHAQPNG-CZUORRHYSA-N 2 0 324.852 2.598 20 0 DFADRP CC1CC[NH+](C2CCC([NH2+]C[C@H](O)C(F)(F)F)CC2)CC1 ZINC000562995796 302023044 /nfs/dbraw/zinc/02/30/44/302023044.db2.gz FHGSZKUISBKNNP-RUXDESIVSA-N 2 0 308.388 2.542 20 0 DFADRP CCO[C@H]1C[C@@H]([N@H+](C)Cc2ccc3c(c2)C[NH2+]CC3)C1(C)C ZINC000563269533 302056555 /nfs/dbraw/zinc/05/65/55/302056555.db2.gz VGJIAFZJBGDOJU-MSOLQXFVSA-N 2 0 302.462 2.968 20 0 DFADRP CC[NH+]1CCN(c2ccc(N[C@@H]3CCC[C@H]([NH3+])C3)c(C)c2)CC1 ZINC000563425017 302071610 /nfs/dbraw/zinc/07/16/10/302071610.db2.gz ODYXVDSKGFRIBH-DLBZAZTESA-N 2 0 316.493 2.819 20 0 DFADRP C[C@@H]1C[NH+](CCSCC[N@H+](C)Cc2ccccc2)C[C@@H](C)O1 ZINC000563437748 302072714 /nfs/dbraw/zinc/07/27/14/302072714.db2.gz BTFSZRUOEWRLFQ-IAGOWNOFSA-N 2 0 322.518 2.961 20 0 DFADRP C[NH+](C)CCCCC(=O)NC(C)(C)C[N@H+](C)Cc1ccccc1 ZINC000564345426 302130945 /nfs/dbraw/zinc/13/09/45/302130945.db2.gz CAIXOAJGUGLXBF-UHFFFAOYSA-N 2 0 319.493 2.745 20 0 DFADRP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)Nc1ccn2ccnc2c1 ZINC000564423227 302133803 /nfs/dbraw/zinc/13/38/03/302133803.db2.gz NYTKNOXXCBKJDK-OAHLLOKOSA-N 2 0 315.421 2.720 20 0 DFADRP C[C@H]1CCCC[N@@H+]1C[C@H]1CCCN(Cc2ncccc2O)C1 ZINC000564612425 302144474 /nfs/dbraw/zinc/14/44/74/302144474.db2.gz PXTJBOXVZRMXAQ-HOTGVXAUSA-N 2 0 303.450 2.874 20 0 DFADRP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]CCc1ccc2c(c1)OCO2 ZINC000564649695 302147117 /nfs/dbraw/zinc/14/71/17/302147117.db2.gz NWJVKVISIDRDCE-WMLDXEAASA-N 2 0 312.413 2.506 20 0 DFADRP Cc1cccc(NC(=O)C[C@H](C)[NH2+][C@H]2CCCC[C@H]2C[NH3+])c1 ZINC000564649642 302147129 /nfs/dbraw/zinc/14/71/29/302147129.db2.gz HVGJEGHEAZWQIB-ZOBUZTSGSA-N 2 0 303.450 2.819 20 0 DFADRP C[C@@H]([NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1)c1cncc(Br)c1 ZINC000564742271 302155908 /nfs/dbraw/zinc/15/59/08/302155908.db2.gz YBPTUXHOFGGWQH-NEPJUHHUSA-N 2 0 324.266 2.979 20 0 DFADRP Cn1ccnc1[C@@H]([NH2+]C1CCC([NH3+])CC1)c1ccc(F)cc1 ZINC000564791764 302158774 /nfs/dbraw/zinc/15/87/74/302158774.db2.gz CPJDRWLFBVEKFP-GPANFISMSA-N 2 0 302.397 2.508 20 0 DFADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)c1ccc(C2CCC2)cc1 ZINC000564791185 302158788 /nfs/dbraw/zinc/15/87/88/302158788.db2.gz CUJPNDISTIYSLF-UHFFFAOYSA-N 2 0 317.477 2.520 20 0 DFADRP Cc1c([C@H](C)[NH2+]CC[C@H]2CC[NH2+]C2)nnn1-c1ccc(C)cc1 ZINC000564821888 302161083 /nfs/dbraw/zinc/16/10/83/302161083.db2.gz ABIZQJDFENBSSI-GOEBONIOSA-N 2 0 313.449 2.534 20 0 DFADRP C[C@@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]Cc1ccc2cnn(C)c2c1 ZINC000564822572 302161090 /nfs/dbraw/zinc/16/10/90/302161090.db2.gz GIQQBSLCCZIJKC-YOEHRIQHSA-N 2 0 300.450 2.974 20 0 DFADRP [NH3+][C@@H]1CCC[C@@H](C[NH2+][C@H](Cc2ccccn2)c2cccnc2)C1 ZINC000564828037 302161731 /nfs/dbraw/zinc/16/17/31/302161731.db2.gz ORIFAZPYVYKBOX-SZVBFZGTSA-N 2 0 310.445 2.868 20 0 DFADRP CC[NH+](CC)Cc1cccc(C[NH2+]C[C@@](C)(O)C(F)(F)F)c1 ZINC000564845058 302162890 /nfs/dbraw/zinc/16/28/90/302162890.db2.gz PINFVRAUYWLTNR-OAHLLOKOSA-N 2 0 318.383 2.931 20 0 DFADRP CCCCN(C)CC[NH2+]CCC(=O)Nc1cccc(F)c1C ZINC000564853763 302164667 /nfs/dbraw/zinc/16/46/67/302164667.db2.gz GEDINVXWOHOUIM-UHFFFAOYSA-N 2 0 309.429 2.784 20 0 DFADRP CC(C)[NH+](CCCNC(=O)[C@H](C)[C@@H]([NH3+])c1ccccc1)C(C)C ZINC000564924698 302173990 /nfs/dbraw/zinc/17/39/90/302173990.db2.gz NYINMWYERLXTHC-SJLPKXTDSA-N 2 0 319.493 2.948 20 0 DFADRP COc1ccc([C@H](C[NH3+])C[N@@H+]2CC[C@@H](c3cccnc3)C2)cc1 ZINC000564989678 302179601 /nfs/dbraw/zinc/17/96/01/302179601.db2.gz WXADCXZFBUJJFX-QZTJIDSGSA-N 2 0 311.429 2.622 20 0 DFADRP Cn1cncc1CCC[N@H+](C)CC(=O)Nc1cccc(Cl)c1 ZINC000565160707 302199297 /nfs/dbraw/zinc/19/92/97/302199297.db2.gz CVTAUQLRDDVEKH-UHFFFAOYSA-N 2 0 320.824 2.577 20 0 DFADRP Cc1ccccc1[C@H]([C@@H](C)NC(=O)[C@H](C(C)C)[NH+](C)C)[NH+](C)C ZINC000357867811 302201135 /nfs/dbraw/zinc/20/11/35/302201135.db2.gz KOJJIYVHZXPXAO-NJAFHUGGSA-N 2 0 319.493 2.689 20 0 DFADRP Cc1ccccc1[C@H]([C@H](C)NC(=O)[C@H](C(C)C)[NH+](C)C)[NH+](C)C ZINC000357867813 302207350 /nfs/dbraw/zinc/20/73/50/302207350.db2.gz KOJJIYVHZXPXAO-SZMVWBNQSA-N 2 0 319.493 2.689 20 0 DFADRP Cc1cc(C)n(-c2ccccc2C[NH2+][C@@H](C)[C@H]2CCC[NH2+]C2)n1 ZINC000566056385 302255926 /nfs/dbraw/zinc/25/59/26/302255926.db2.gz XYNFBWZNALXXSI-IRXDYDNUSA-N 2 0 312.461 2.967 20 0 DFADRP C[NH+](C)Cc1cccc(C(=O)Nc2cccc3c2CC[NH2+]C3)c1 ZINC000566560511 302295168 /nfs/dbraw/zinc/29/51/68/302295168.db2.gz WNPSKFCYITTXQO-UHFFFAOYSA-N 2 0 309.413 2.646 20 0 DFADRP CSC[C@H](O)C[NH2+]CC[C@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000566733111 302307750 /nfs/dbraw/zinc/30/77/50/302307750.db2.gz MMSCTPQHBJCQJQ-RYQLBKOJSA-N 2 0 322.518 2.601 20 0 DFADRP CC(C)[NH2+]CCC[NH2+]C1CCC2(CC1)c1ccccc1NC2=O ZINC000566908952 302321177 /nfs/dbraw/zinc/32/11/77/302321177.db2.gz NTKRIDQRGDCECN-UHFFFAOYSA-N 2 0 315.461 2.797 20 0 DFADRP [NH3+][C@H]1CCC[C@@H](NCC2([NH+]3CCSCC3)CCCCC2)C1 ZINC000567249893 302345370 /nfs/dbraw/zinc/34/53/70/302345370.db2.gz XSLLWFRVTJUBNE-JKSUJKDBSA-N 2 0 311.539 2.598 20 0 DFADRP Cn1cncc1CCC[N@H+](C)Cc1nc(-c2ccccc2)c[nH]1 ZINC000567286523 302347149 /nfs/dbraw/zinc/34/71/49/302347149.db2.gz NKAZAZUZQZKBNP-UHFFFAOYSA-N 2 0 309.417 2.875 20 0 DFADRP CCn1ccnc1[C@H]1OCC[C@@H]1[NH2+][C@H](C)C[C@@H]1CCCCC[NH2+]1 ZINC000567589596 302370931 /nfs/dbraw/zinc/37/09/31/302370931.db2.gz QBUODADBVNSPOL-QZWWFDLISA-N 2 0 320.481 2.633 20 0 DFADRP C[C@H]([NH2+]CC1([NH3+])CCCCCC1)c1ccccc1-n1ccnn1 ZINC000567638766 302375504 /nfs/dbraw/zinc/37/55/04/302375504.db2.gz AJXWEMJZYBXHCE-HNNXBMFYSA-N 2 0 313.449 2.970 20 0 DFADRP C[C@H]([NH2+][C@@H](C)[C@@H]1CC[NH2+]C1)c1ccc(NC(=O)C2CC2)cc1 ZINC000567641506 302375843 /nfs/dbraw/zinc/37/58/43/302375843.db2.gz FNGCPELJENPYGO-HEHGZKQESA-N 2 0 301.434 2.684 20 0 DFADRP O=C(Nc1ccc(CC[NH+]2CCCC2)cc1)[C@H]1CCCCC[NH2+]1 ZINC000568397904 302447450 /nfs/dbraw/zinc/44/74/50/302447450.db2.gz GAYNQSBAEFXMHT-GOSISDBHSA-N 2 0 315.461 2.796 20 0 DFADRP [NH3+]C1CCC([NH2+]Cc2ccc(COC3CCOCC3)cc2)CC1 ZINC000568856492 302478555 /nfs/dbraw/zinc/47/85/55/302478555.db2.gz IBNLRDWRYQMHNO-UHFFFAOYSA-N 2 0 318.461 2.742 20 0 DFADRP CC[C@@H]([NH3+])C(=O)NC[C@@H](CC(C)C)[NH2+][C@@H](C)c1ccccc1 ZINC000569217277 302505733 /nfs/dbraw/zinc/50/57/33/302505733.db2.gz BOGJPXNQIMTYES-USXIJHARSA-N 2 0 305.466 2.605 20 0 DFADRP Cc1ccc(NC(=O)C[C@@H](C)[NH2+]CC2=CC[NH2+]CC2)c(C)c1 ZINC000570271961 302565074 /nfs/dbraw/zinc/56/50/74/302565074.db2.gz WWZPFZKDFDHJMT-OAHLLOKOSA-N 2 0 301.434 2.530 20 0 DFADRP Cc1nn2c(C[NH2+][C@H]3CCCC[C@@H]3C[NH3+])c(C(C)C)nc2s1 ZINC000572970151 302687100 /nfs/dbraw/zinc/68/71/00/302687100.db2.gz XXBDYBMKMXJKJD-OLZOCXBDSA-N 2 0 321.494 2.830 20 0 DFADRP C[C@H]([NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1)c1ccc2c(c1)CCC(=O)N2 ZINC000573476329 302706987 /nfs/dbraw/zinc/70/69/87/302706987.db2.gz WSBGTPLSSKZRPM-WBQNTZJQSA-N 2 0 313.445 2.610 20 0 DFADRP CC(C)C[C@@H](CNC(=O)CCC[NH3+])[NH2+][C@@H](C)c1ccccc1 ZINC000573717753 302719709 /nfs/dbraw/zinc/71/97/09/302719709.db2.gz BEHMKNDKRIQCET-RDJZCZTQSA-N 2 0 305.466 2.607 20 0 DFADRP Cc1cccc(NC(=O)C[C@H](C)[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)c1 ZINC000574031715 302736731 /nfs/dbraw/zinc/73/67/31/302736731.db2.gz QQGRSINATPRQET-LISAXSMJSA-N 2 0 315.461 2.690 20 0 DFADRP COc1ccc(C[NH+]2CCC([C@@H]3OCCC[C@H]3[NH3+])CC2)c(F)c1 ZINC000574044624 302737829 /nfs/dbraw/zinc/73/78/29/302737829.db2.gz JIRVFLHOMBPMAK-MSOLQXFVSA-N 2 0 322.424 2.553 20 0 DFADRP O=C(NC[C@H](c1cccs1)[NH+]1CCCC1)[C@@H]1CCCCC[NH2+]1 ZINC000364462702 303803489 /nfs/dbraw/zinc/80/34/89/303803489.db2.gz PTYKHGWVVZRRRP-LSDHHAIUSA-N 2 0 321.490 2.533 20 0 DFADRP CCO[C@@H]1C[C@H]([NH2+]Cc2ccccc2OCC[NH+](C)C)C1(C)C ZINC000181627155 316065912 /nfs/dbraw/zinc/06/59/12/316065912.db2.gz NAWQQRMDSHCQGU-ZWKOTPCHSA-N 2 0 320.477 2.920 20 0 DFADRP CCC1(CC)[C@H]([NH2+]C2CC[NH+](CCCOC)CC2)C[C@H]1OC ZINC000181661212 316067128 /nfs/dbraw/zinc/06/71/28/316067128.db2.gz LZYBYIGRWDVCQA-IAGOWNOFSA-N 2 0 312.498 2.671 20 0 DFADRP C[C@H](C(=O)NCC[C@H](C)[NH+]1CCCCC1)[NH+]1CCCCCC1 ZINC000182224242 316090776 /nfs/dbraw/zinc/09/07/76/316090776.db2.gz GVQJBTSHOKOWFW-DLBZAZTESA-N 2 0 309.498 2.632 20 0 DFADRP CC[NH+]1CCN([C@H](C)C[NH2+][C@H](C)c2cccc(F)c2F)CC1 ZINC000183223316 316133892 /nfs/dbraw/zinc/13/38/92/316133892.db2.gz FYICFQPQNILLRS-ZIAGYGMSSA-N 2 0 311.420 2.641 20 0 DFADRP CC[NH+](CC)[C@@H](CNc1cc[nH+]cc1C(N)=O)c1ccsc1 ZINC000184057112 316157796 /nfs/dbraw/zinc/15/77/96/316157796.db2.gz ORUHFCJGOMWCSI-HNNXBMFYSA-N 2 0 318.446 2.737 20 0 DFADRP COC[C@@H]([NH2+]CCC[N@H+](C)Cc1ccccc1)C1CCOCC1 ZINC000187710975 316212812 /nfs/dbraw/zinc/21/28/12/316212812.db2.gz NWEPCUGZNCEUGR-LJQANCHMSA-N 2 0 320.477 2.540 20 0 DFADRP CC(=O)Nc1ccc(CN2CCCC[C@@H]2[C@@H]2CCC[NH2+]2)cc1 ZINC000316328706 316245344 /nfs/dbraw/zinc/24/53/44/316245344.db2.gz BSHXBJDCWMSBAJ-ZWKOTPCHSA-N 2 0 301.434 2.752 20 0 DFADRP CC(C)[N@@H+]1CC[C@H](C[NH2+]C2CCN(c3ccccc3)CC2)C1 ZINC000318833437 316249915 /nfs/dbraw/zinc/24/99/15/316249915.db2.gz XYWWUFMNUPYQFF-QGZVFWFLSA-N 2 0 301.478 2.975 20 0 DFADRP Cc1cc(C)c([C@@H](C)[NH+]2CCN([C@H]3CC[NH2+]C3)CC2)c(C)c1 ZINC000319119801 316250799 /nfs/dbraw/zinc/25/07/99/316250799.db2.gz UOAABROFKIGCDL-MSOLQXFVSA-N 2 0 301.478 2.652 20 0 DFADRP O=C(Nc1ccc(C[NH+]2CCCC2)cc1)[C@H]1CC12CC[NH2+]CC2 ZINC000320532443 316254126 /nfs/dbraw/zinc/25/41/26/316254126.db2.gz CGWAHCXTNOVTRJ-QGZVFWFLSA-N 2 0 313.445 2.611 20 0 DFADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@H](c2ccccc2OC)N(C)C)[C@H](C)C1 ZINC000345248264 316316624 /nfs/dbraw/zinc/31/66/24/316316624.db2.gz KDYHZYBPYHDWBQ-BPQIPLTHSA-N 2 0 319.493 2.618 20 0 DFADRP Cc1cc([C@H](C)[NH2+]CCC[N@@H+]2CCC[C@@H](C(N)=O)C2)c(C)s1 ZINC000346095749 316318175 /nfs/dbraw/zinc/31/81/75/316318175.db2.gz JSNPLJOLLQEARK-DZGCQCFKSA-N 2 0 323.506 2.603 20 0 DFADRP CC[C@H]([NH2+]CCC[N@@H+]1CCC[C@@H](C(N)=O)C1)c1ccc(C)cc1 ZINC000346111986 316318206 /nfs/dbraw/zinc/31/82/06/316318206.db2.gz VIYSMWFFIOBIBP-MSOLQXFVSA-N 2 0 317.477 2.623 20 0 DFADRP COC[C@](C)(CCO)[NH2+]Cc1cccc(C[NH+]2CCCCC2)c1 ZINC000411334072 316590624 /nfs/dbraw/zinc/59/06/24/316590624.db2.gz OTTLCVIBBICHER-IBGZPJMESA-N 2 0 320.477 2.550 20 0 DFADRP Clc1ccc([C@@H]2CCC[C@@H]2[NH2+]CCCN2CC[NH2+]CC2)cc1 ZINC000414784807 316654418 /nfs/dbraw/zinc/65/44/18/316654418.db2.gz TULSDPPZHPIGJR-ROUUACIJSA-N 2 0 321.896 2.861 20 0 DFADRP COc1sc(C[NH2+][C@H]2CCC[C@H]2C[NH3+])cc1Br ZINC000414792007 316659185 /nfs/dbraw/zinc/65/91/85/316659185.db2.gz BUDYUGGIJGAHCB-KWQFWETISA-N 2 0 319.268 2.736 20 0 DFADRP COc1cc(C[NH2+][C@@H]2CCC[C@H]2C[NH3+])ccc1OC(F)F ZINC000414801056 316662301 /nfs/dbraw/zinc/66/23/01/316662301.db2.gz SYYLXJBIPDIDMZ-NWDGAFQWSA-N 2 0 300.349 2.514 20 0 DFADRP Cc1nn(C)c2ncc(C[NH2+]Cc3ccc([C@@H](C)[NH3+])cc3)cc12 ZINC000414802859 316663603 /nfs/dbraw/zinc/66/36/03/316663603.db2.gz BXUCHDWLPPPFAE-GFCCVEGCSA-N 2 0 309.417 2.586 20 0 DFADRP C[C@H]([NH3+])c1ccc(C[NH2+]C2CCN(c3nccs3)CC2)cc1 ZINC000414803009 316663647 /nfs/dbraw/zinc/66/36/47/316663647.db2.gz CJIPWGKDBVMXMF-ZDUSSCGKSA-N 2 0 316.474 2.921 20 0 DFADRP C[C@H]([NH3+])c1ccc(C[NH2+]Cc2ccc(N3CCCC3)nc2)cc1 ZINC000414810083 316665319 /nfs/dbraw/zinc/66/53/19/316665319.db2.gz NKTFZTLTYGAAHL-HNNXBMFYSA-N 2 0 310.445 2.991 20 0 DFADRP COC1([C@H](C)[NH2+]CC2(SC)CC[NH+](C)CC2)CCCC1 ZINC000421863267 316777045 /nfs/dbraw/zinc/77/70/45/316777045.db2.gz YMHBMQKVKSMMFG-AWEZNQCLSA-N 2 0 300.512 2.751 20 0 DFADRP CN(Cc1cccc(Cl)c1)C(=O)CCC[NH+]1CCC([NH3+])CC1 ZINC000433132882 316879179 /nfs/dbraw/zinc/87/91/79/316879179.db2.gz YDDLTBZKFXRTGL-UHFFFAOYSA-N 2 0 323.868 2.502 20 0 DFADRP CC[C@@H](C)[C@H]1CCCCN1C(=O)CCC[NH+]1CCC([NH3+])CC1 ZINC000433133049 316879475 /nfs/dbraw/zinc/87/94/75/316879475.db2.gz HGLWYKRXJRBVAK-NVXWUHKLSA-N 2 0 309.498 2.617 20 0 DFADRP CC(C)[C@H](C[NH3+])C(=O)Nc1cccc(C[NH+]2CCCCC2)c1 ZINC000433178250 316886324 /nfs/dbraw/zinc/88/63/24/316886324.db2.gz WHJPKUYORLSYNB-KRWDZBQOSA-N 2 0 303.450 2.842 20 0 DFADRP CC[C@H]([NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]12)[C@@H](C)O ZINC000449546531 317040362 /nfs/dbraw/zinc/04/03/62/317040362.db2.gz WAILYJHITWEOCJ-RXABAKJHSA-N 2 0 302.462 2.646 20 0 DFADRP CC[NH+]1CCN([C@H]2CC[N@H+](C[C@@H]3CCCCC3(F)F)C2)CC1 ZINC000450392946 317088427 /nfs/dbraw/zinc/08/84/27/317088427.db2.gz PGWFRSBWCMJTGI-HOTGVXAUSA-N 2 0 315.452 2.524 20 0 DFADRP c1cnn(CC[NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@@H]3CCC[C@@H]32)c1 ZINC000453140543 317164820 /nfs/dbraw/zinc/16/48/20/317164820.db2.gz QJFRVCIJTWABMX-HSALFYBXSA-N 2 0 324.472 2.916 20 0 DFADRP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC1=CCOCC1 ZINC000453287318 317175908 /nfs/dbraw/zinc/17/59/08/317175908.db2.gz KVGKVHINRPQYDX-LPHOPBHVSA-N 2 0 300.446 2.833 20 0 DFADRP C[C@@H](CC[NH+](C)C)NC(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C ZINC000455944613 317215354 /nfs/dbraw/zinc/21/53/54/317215354.db2.gz VQLXOMDVCSNHCH-GUYCJALGSA-N 2 0 318.465 2.697 20 0 DFADRP C[NH+](C)CCCC1CC[NH+](Cc2cnc(C3CC3)nc2)CC1 ZINC000459381838 317325123 /nfs/dbraw/zinc/32/51/23/317325123.db2.gz VKDCFOOEMQKOQT-UHFFFAOYSA-N 2 0 302.466 2.908 20 0 DFADRP CC[NH+]1CCN([C@H](C)C[NH2+][C@@H]2CS[C@H](C(C)(C)C)C2)CC1 ZINC000488472694 317396236 /nfs/dbraw/zinc/39/62/36/317396236.db2.gz XMOQJWXTDMRGBX-PMPSAXMXSA-N 2 0 313.555 2.522 20 0 DFADRP C[NH+](C)CC1(C(=O)NCC2([NH+](C)C)CCCCC2)CCCCC1 ZINC000493556199 317636750 /nfs/dbraw/zinc/63/67/50/317636750.db2.gz YVKMKBZGYGCHHC-UHFFFAOYSA-N 2 0 323.525 2.879 20 0 DFADRP CCc1ccc(NC(=O)N(CC[NH+](C)C)CC[NH+](C)C)cc1C ZINC000526162993 317738191 /nfs/dbraw/zinc/73/81/91/317738191.db2.gz WPRUDTIKUAVOJY-UHFFFAOYSA-N 2 0 320.481 2.515 20 0 DFADRP C[NH+](C)C[C@@H](N[C@H]1CC[NH2+]C1)c1ccc(Cl)c(Cl)c1 ZINC000530221437 317776649 /nfs/dbraw/zinc/77/66/49/317776649.db2.gz FMWOQQIJZCLZCZ-SMDDNHRTSA-N 2 0 302.249 2.548 20 0 DFADRP c1ccc(CCC[NH+]2CCC(CO[C@@H]3CC[NH2+]C3)CC2)cc1 ZINC000530239784 317778025 /nfs/dbraw/zinc/77/80/25/317778025.db2.gz UWKZVXZCBISBFU-LJQANCHMSA-N 2 0 302.462 2.710 20 0 DFADRP Fc1ccc(C[NH+]2CCC(CO[C@H]3CC[NH2+]C3)CC2)cc1F ZINC000530243775 317778796 /nfs/dbraw/zinc/77/87/96/317778796.db2.gz YRRBDAXPTOVDNM-HNNXBMFYSA-N 2 0 310.388 2.555 20 0 DFADRP C[NH+]1CCN(C[C@H]([NH2+][C@H]2CCC2(C)C)c2ccccc2)CC1 ZINC000556584647 317866036 /nfs/dbraw/zinc/86/60/36/317866036.db2.gz XZBGOGIBKGGGNL-ROUUACIJSA-N 2 0 301.478 2.753 20 0 DFADRP Cc1ccccc1NC(=O)C[C@H](C)[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000570954365 317972591 /nfs/dbraw/zinc/97/25/91/317972591.db2.gz YCXQNBVCTYLYKY-YLFCFFPRSA-N 2 0 315.461 2.690 20 0 DFADRP Cc1ccccc1NC(=O)C[C@H](C)[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000570954361 317972727 /nfs/dbraw/zinc/97/27/27/317972727.db2.gz YCXQNBVCTYLYKY-LUKYLMHMSA-N 2 0 315.461 2.690 20 0 DFADRP C[NH2+][C@H](C)C(=O)NCc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000574531107 318023234 /nfs/dbraw/zinc/02/32/34/318023234.db2.gz LKEYRVXVYFNBKZ-OAHLLOKOSA-N 2 0 317.477 2.675 20 0 DFADRP CC[NH2+]CCCN[C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000574629754 318029036 /nfs/dbraw/zinc/02/90/36/318029036.db2.gz QZNMPCJDMIAVMY-SLFFLAALSA-N 3 0 315.505 2.876 20 0 DFADRP C[NH+](C)Cc1ccc(NC(=O)[C@H](C[NH3+])c2ccc(F)cc2)cc1 ZINC000574634391 318029593 /nfs/dbraw/zinc/02/95/93/318029593.db2.gz MFNSRIXWCQXEMY-QGZVFWFLSA-N 2 0 315.392 2.568 20 0 DFADRP C[C@H]([NH2+]CC[C@H]1CC[NH2+]C1)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000574683302 318033118 /nfs/dbraw/zinc/03/31/18/318033118.db2.gz BXARVNTVQCBPPX-QWHCGFSZSA-N 2 0 301.434 2.567 20 0 DFADRP C[C@H](C[NH2+]C1CC[NH+](C2CCCCC2)CC1)Cn1cccn1 ZINC000575019358 318058018 /nfs/dbraw/zinc/05/80/18/318058018.db2.gz SDBBZQMTQBRGLM-MRXNPFEDSA-N 2 0 304.482 2.906 20 0 DFADRP Cc1cc(C(F)(F)F)ccc1CNC[C@@H](O)C[N@@H+](C)C1CC1 ZINC000575917087 318091341 /nfs/dbraw/zinc/09/13/41/318091341.db2.gz IDTKREPGFPTMDK-OAHLLOKOSA-N 2 0 316.367 2.559 20 0 DFADRP CC(C)C[N@@H+]1CC[C@@H](C[NH2+]C[C@H](O)Cc2cccc(Cl)c2)C1 ZINC000576030478 318099140 /nfs/dbraw/zinc/09/91/40/318099140.db2.gz YIQZPNYMZZNBML-FUHWJXTLSA-N 2 0 324.896 2.811 20 0 DFADRP [NH3+]C[C@H]1CCC[C@H]1[NH2+]CCc1nc(-c2ccc(Cl)cc2)no1 ZINC000576338015 318119223 /nfs/dbraw/zinc/11/92/23/318119223.db2.gz APPANHCVPIJCPL-TZMCWYRMSA-N 2 0 320.824 2.650 20 0 DFADRP COc1cc(F)c(C[NH2+]CC2CC[NH+](C3CC3)CC2)cc1OC ZINC000576349450 318120522 /nfs/dbraw/zinc/12/05/22/318120522.db2.gz DDEMYUIZAZKQJC-UHFFFAOYSA-N 2 0 322.424 2.807 20 0 DFADRP Fc1ccc([C@H]([NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)c2ncc[nH]2)cc1 ZINC000576976971 318163635 /nfs/dbraw/zinc/16/36/35/318163635.db2.gz WPYZZIVANCZOOV-SRABZTEZSA-N 2 0 314.408 2.616 20 0 DFADRP CC(C)O[C@H]1C[C@@H]([NH2+]Cc2cc(C3CC[NH2+]CC3)no2)C1(C)C ZINC000577274853 318182508 /nfs/dbraw/zinc/18/25/08/318182508.db2.gz WTGGQFXDVIBCLA-SJORKVTESA-N 2 0 321.465 2.823 20 0 DFADRP CC[N@H+](C)C[C@@H](O)CN1CCC[C@H]1c1nc2ccccc2s1 ZINC000577343315 318185772 /nfs/dbraw/zinc/18/57/72/318185772.db2.gz LVXVYEAQEMDQTK-HIFRSBDPSA-N 2 0 319.474 2.746 20 0 DFADRP C[C@@H]1[NH2+]CC[C@@H]1C(=O)Nc1ccc(C[N@@H+]2CCCC[C@H]2C)cc1 ZINC000577509346 318198100 /nfs/dbraw/zinc/19/81/00/318198100.db2.gz WDQVHNGUXUUOFG-VKJFTORMSA-N 2 0 315.461 2.998 20 0 DFADRP [NH3+][C@H]1CCC[C@@H]([NH2+]Cc2cccc(NC(=O)c3ccccn3)c2)C1 ZINC000577626663 318206614 /nfs/dbraw/zinc/20/66/14/318206614.db2.gz NSYAQXLCVVHIBW-JKSUJKDBSA-N 2 0 324.428 2.693 20 0 DFADRP C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)Nc1ccc2c(c1)C[NH2+]C2 ZINC000577710647 318211550 /nfs/dbraw/zinc/21/15/50/318211550.db2.gz CASVZCXQBUNBBY-UONOGXRCSA-N 2 0 316.449 2.532 20 0 DFADRP C[C@H](C[NH2+][C@@H]1CC[NH2+]CC[C@H]1C)c1nc(-c2ccccc2)no1 ZINC000577740104 318213917 /nfs/dbraw/zinc/21/39/17/318213917.db2.gz GOZONXDGSVOFHU-IIAWOOMASA-N 2 0 314.433 2.818 20 0 DFADRP CCC(C)(C)[C@H](C)[NH2+]Cc1cccnc1N1CC[NH+](C)CC1 ZINC000577934751 318226836 /nfs/dbraw/zinc/22/68/36/318226836.db2.gz WYHRREUCFKEWDK-HNNXBMFYSA-N 2 0 304.482 2.748 20 0 DFADRP CCC(C)(C)[C@@H](C)[NH2+]Cc1cccnc1N1CC[NH+](C)CC1 ZINC000577934752 318226934 /nfs/dbraw/zinc/22/69/34/318226934.db2.gz WYHRREUCFKEWDK-OAHLLOKOSA-N 2 0 304.482 2.748 20 0 DFADRP COc1ccc(CC[C@@H](C)[NH2+]Cc2ccc(C[NH3+])cc2)cc1O ZINC000577952289 318228079 /nfs/dbraw/zinc/22/80/79/318228079.db2.gz BYXJIESHJZZQIV-CQSZACIVSA-N 2 0 314.429 2.970 20 0 DFADRP Cc1c(F)cccc1NC(=O)CC[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000578127546 318239395 /nfs/dbraw/zinc/23/93/95/318239395.db2.gz CVJYNZLMWIKZCM-GXTWGEPZSA-N 2 0 307.413 2.535 20 0 DFADRP Cc1c(F)cccc1NC(=O)CC[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000578127547 318239487 /nfs/dbraw/zinc/23/94/87/318239487.db2.gz CVJYNZLMWIKZCM-JSGCOSHPSA-N 2 0 307.413 2.535 20 0 DFADRP CC(C)OC(=O)C[C@H]([NH2+][C@@H]1CCC[C@@H]([NH3+])C1)c1ccccc1 ZINC000578206480 318245122 /nfs/dbraw/zinc/24/51/22/318245122.db2.gz UEJRCUGAGCGNNL-ZACQAIPSSA-N 2 0 304.434 2.929 20 0 DFADRP CC(C)c1nc([C@@H]2CCC[N@H+](CCCc3cncn3C)C2)no1 ZINC000578244964 318248255 /nfs/dbraw/zinc/24/82/55/318248255.db2.gz XAOKWBQFSBSZED-CQSZACIVSA-N 2 0 317.437 2.739 20 0 DFADRP CCOC(=O)CC[N@H+](C)C[C@@H]1CC[NH+](Cc2ccc(C)s2)C1 ZINC000578511846 318266057 /nfs/dbraw/zinc/26/60/57/318266057.db2.gz IBYQRBKQGDCALV-HNNXBMFYSA-N 2 0 324.490 2.763 20 0 DFADRP CN(Cc1cnc(-c2ccccc2)nc1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000578626402 318273973 /nfs/dbraw/zinc/27/39/73/318273973.db2.gz MRLYWAXQBBTTFC-JWTNVVGKSA-N 2 0 308.429 2.858 20 0 DFADRP C[NH+](C)[C@H](CNC(=O)[C@H]1CCC[C@H]([NH3+])C1)c1ccc(Cl)cc1 ZINC000578745386 318282459 /nfs/dbraw/zinc/28/24/59/318282459.db2.gz RQGMOTKQJLGWEF-CWRNSKLLSA-N 2 0 323.868 2.576 20 0 DFADRP COC(=O)c1sc2ccccc2c1CN1CC[C@H]([NH3+])C[C@H]1C ZINC000578879171 318292157 /nfs/dbraw/zinc/29/21/57/318292157.db2.gz OLVUAMZSNABWKF-NEPJUHHUSA-N 2 0 318.442 3.000 20 0 DFADRP COc1cc(OC)c(C[C@H](C)[NH2+][C@H]2CCC[C@H]([NH3+])C2)c(OC)c1 ZINC000578882403 318292786 /nfs/dbraw/zinc/29/27/86/318292786.db2.gz KQPLDXODAYALQL-IHRRRGAJSA-N 2 0 322.449 2.503 20 0 DFADRP C[C@@H](C[NH+]1CCC(N2CCOC[C@@H]2C)CC1)c1ccccc1 ZINC000578905028 318294310 /nfs/dbraw/zinc/29/43/10/318294310.db2.gz YHGVVBGQWANQPG-IRXDYDNUSA-N 2 0 302.462 2.975 20 0 DFADRP C[C@@H](c1ccccc1)[C@@H](O)C[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000578981624 318299343 /nfs/dbraw/zinc/29/93/43/318299343.db2.gz PSCGQSYIIJUYGS-RMPXNZIMSA-N 2 0 302.462 2.756 20 0 DFADRP CCN(C[C@H]1CCC[N@@H+]1CC)C(=O)c1ccc(C[NH+](C)C)cc1 ZINC000579392127 318327673 /nfs/dbraw/zinc/32/76/73/318327673.db2.gz XLAWLYKQEXSGJT-GOSISDBHSA-N 2 0 317.477 2.695 20 0 DFADRP C[NH+](C)CC1(C(=O)N2CCC(c3c[nH]cn3)CC2)CCCCC1 ZINC000580146903 318377844 /nfs/dbraw/zinc/37/78/44/318377844.db2.gz XKVJRQBLDHOQEK-UHFFFAOYSA-N 2 0 318.465 2.628 20 0 DFADRP C[C@H](CCc1n[nH]c2ccccc21)[NH2+][C@@H]1CCCC[C@@H]1C[NH3+] ZINC000580168831 318380399 /nfs/dbraw/zinc/38/03/99/318380399.db2.gz MMUVJXXRMMWEIL-IIAWOOMASA-N 2 0 300.450 2.991 20 0 DFADRP Cc1ccc(OC[C@H](O)C[NH2+]C2CC[NH+](C(C)C)CC2)c(C)c1 ZINC000019838621 323208454 /nfs/dbraw/zinc/20/84/54/323208454.db2.gz BMUIMMHPIYQYGV-GOSISDBHSA-N 2 0 320.477 2.506 20 0 DFADRP C[C@H]1C[C@@H]([NH2+]C2CCC([NH3+])CC2)CCN1Cc1ccccc1 ZINC000379634088 323291014 /nfs/dbraw/zinc/29/10/14/323291014.db2.gz PILJVLLAVHGBLR-RXQRSOPUSA-N 2 0 301.478 2.899 20 0 DFADRP C[C@@H]1C[C@@H](N[C@H]2CCC[NH2+]CC2)CC[N@@H+]1Cc1ccccc1 ZINC000379659143 323291180 /nfs/dbraw/zinc/29/11/80/323291180.db2.gz YTLXWASCLIADFM-NEWSRXKRSA-N 2 0 301.478 2.771 20 0 DFADRP C[C@H]1[C@@H]([NH3+])CCN1CCC(=O)Nc1c(Cl)cccc1Cl ZINC000380444584 323291669 /nfs/dbraw/zinc/29/16/69/323291669.db2.gz DPVZASBJWIQQIG-CABZTGNLSA-N 2 0 316.232 2.744 20 0 DFADRP C[N@H+](CC[C@H]1CCC[NH2+]C1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000382719583 323301212 /nfs/dbraw/zinc/30/12/12/323301212.db2.gz KFBPHPZJVAUGHM-QUCCMNQESA-N 3 0 315.505 2.830 20 0 DFADRP c1ccc(C[N@H+]2C[C@@H]3CC[C@@H](NCCC[NH2+]C4CC4)[C@H]3C2)cc1 ZINC000382579260 323301355 /nfs/dbraw/zinc/30/13/55/323301355.db2.gz DVJJLQKJZVIVCP-YSIASYRMSA-N 2 0 313.489 2.629 20 0 DFADRP C[C@@H]1C[C@H](C[N@@H+]2CCCN(Cc3ccccc3)C[C@@H]2C)CC[NH2+]1 ZINC000382728065 323301612 /nfs/dbraw/zinc/30/16/12/323301612.db2.gz WQYOTDMUHUXGLI-WSTZPKSXSA-N 2 0 315.505 2.971 20 0 DFADRP C[C@H]1CC[N@H+](CC[C@H]2CC[NH2+]C2)CCN1Cc1ccccc1 ZINC000382736922 323302407 /nfs/dbraw/zinc/30/24/07/323302407.db2.gz JGGCDXSMXHREOP-ZWKOTPCHSA-N 2 0 301.478 2.582 20 0 DFADRP C[C@@H]1C[C@H](C[N@@H+]2CC[C@@H](COCc3ccccc3)C2)CC[NH2+]1 ZINC000384057692 323305666 /nfs/dbraw/zinc/30/56/66/323305666.db2.gz ZFICPRCJNGMAKC-BHIYHBOVSA-N 2 0 302.462 2.913 20 0 DFADRP C[N@H+](Cc1ccccc1)C1(CN[C@@H]2CCC[C@@H]([NH3+])C2)CCC1 ZINC000386835874 323321230 /nfs/dbraw/zinc/32/12/30/323321230.db2.gz IPOHAMXOZJTQAU-QZTJIDSGSA-N 2 0 301.478 2.901 20 0 DFADRP COc1cc(C[NH2+]C(C)(C)CCC[NH+](C)C)cc2c1OCO2 ZINC000387163807 323322748 /nfs/dbraw/zinc/32/27/48/323322748.db2.gz FHYAREKKKGFNQD-UHFFFAOYSA-N 2 0 308.422 2.634 20 0 DFADRP CCN(C(=O)OC(C)(C)C)[C@H](C)C[NH2+][C@@H]1CC[N@H+](C)C[C@@H]1C ZINC000387462873 323324736 /nfs/dbraw/zinc/32/47/36/323324736.db2.gz QIOYOEDOAPAPSC-RRFJBIMHSA-N 2 0 313.486 2.562 20 0 DFADRP C[NH2+][C@H](CC(C)(C)C)C(=O)N[C@@H](C)C[N@H+](C)Cc1ccccc1 ZINC000387494150 323325158 /nfs/dbraw/zinc/32/51/58/323325158.db2.gz AZVXJSLAKOGOIW-DOTOQJQBSA-N 2 0 319.493 2.647 20 0 DFADRP OCCN1CCCC[C@H]1C[NH2+][C@H]1CCc2c1cccc2Cl ZINC000580284787 323363652 /nfs/dbraw/zinc/36/36/52/323363652.db2.gz AYXFTEPBQLCJSX-GUYCJALGSA-N 2 0 308.853 2.764 20 0 DFADRP C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)c1ccccc1C[NH+](C)C ZINC000580835625 323441283 /nfs/dbraw/zinc/44/12/83/323441283.db2.gz JZZVKOPVAQYGKH-OAHLLOKOSA-N 2 0 317.477 2.551 20 0 DFADRP [NH3+]C1C[C@H]2CCC[C@@H](C1)C2[NH2+]Cc1ccc(N2CCCC2)nc1 ZINC000580939909 323454174 /nfs/dbraw/zinc/45/41/74/323454174.db2.gz HTKLJGFGOYWMMA-GIOYIUAESA-N 2 0 314.477 2.677 20 0 DFADRP C[C@H]1C[C@@H]([NH2+]CCCC[NH+]2CCN(C)CC2)c2ccccc21 ZINC000581215612 323491877 /nfs/dbraw/zinc/49/18/77/323491877.db2.gz VIWMKHXFIWKNTE-QFBILLFUSA-N 2 0 301.478 2.852 20 0 DFADRP CC(C)[NH2+]CCC[NH2+][C@H](C)c1cccc(N2CCOCC2)c1 ZINC000581601838 323547154 /nfs/dbraw/zinc/54/71/54/323547154.db2.gz JEGIASGEAVJWEQ-MRXNPFEDSA-N 2 0 305.466 2.562 20 0 DFADRP CC(C)[NH2+]CCC[NH2+][C@@H](C)c1cccc(N2CCOCC2)c1 ZINC000581601837 323547217 /nfs/dbraw/zinc/54/72/17/323547217.db2.gz JEGIASGEAVJWEQ-INIZCTEOSA-N 2 0 305.466 2.562 20 0 DFADRP CC(C)[C@@H]1CCC[C@H]1[NH2+]Cc1ccncc1OCC[NH+](C)C ZINC000581630788 323552118 /nfs/dbraw/zinc/55/21/18/323552118.db2.gz CXNNXYLDUNUGOZ-DLBZAZTESA-N 2 0 305.466 2.936 20 0 DFADRP CC1=C[C@@H](C)C[C@@H](C[NH2+]C(C)(C)CCN2CC[NH+](C)CC2)C1 ZINC000581695984 323560470 /nfs/dbraw/zinc/56/04/70/323560470.db2.gz NJACJYWGCBGDJE-SJLPKXTDSA-N 2 0 307.526 2.985 20 0 DFADRP Cc1ccc(NC(=O)[C@@H](C)[NH+]2CCC(CC[NH3+])CC2)c(C)c1 ZINC000583758066 323909054 /nfs/dbraw/zinc/90/90/54/323909054.db2.gz RWNKSQLAHZTGBG-OAHLLOKOSA-N 2 0 303.450 2.691 20 0 DFADRP Cc1ccc(NC(=O)[C@H](C)[NH+]2CCC(CC[NH3+])CC2)c(C)c1 ZINC000583758065 323909449 /nfs/dbraw/zinc/90/94/49/323909449.db2.gz RWNKSQLAHZTGBG-HNNXBMFYSA-N 2 0 303.450 2.691 20 0 DFADRP Cc1nc2ccccc2n1CCC[NH2+][C@H](C)[C@H]1CCC[NH2+]C1 ZINC000584285599 332212791 /nfs/dbraw/zinc/21/27/91/332212791.db2.gz RNGKXCQRHCWTRG-ZBFHGGJFSA-N 2 0 300.450 2.713 20 0 DFADRP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+]CC2CC[NH2+]CC2)CC1 ZINC000584285531 332212836 /nfs/dbraw/zinc/21/28/36/332212836.db2.gz BBUMQSQBPDOFFB-QGZVFWFLSA-N 3 0 315.505 2.671 20 0 DFADRP C[C@H](C(=O)N(C)C(C)(C)C[NH+]1CCCC1)[NH+]1[C@H](C)CC[C@H]1C ZINC000584339891 333804419 /nfs/dbraw/zinc/80/44/19/333804419.db2.gz HUQIPISRLOAWMF-BZUAXINKSA-N 2 0 309.498 2.581 20 0 DFADRP C[C@H](C[C@H](C)[NH3+])NC(=O)NCC(C)(C)[NH2+][C@H](C)c1ccccc1 ZINC000584468553 337344694 /nfs/dbraw/zinc/34/46/94/337344694.db2.gz XHGADTKJGJJYSH-RRFJBIMHSA-N 2 0 320.481 2.541 20 0 DFADRP C[C@@H]1C[C@H]([NH2+]Cc2ccc(OC3CC[NH+](C)CC3)cc2)[C@H](C)O1 ZINC000296736602 533953465 /nfs/dbraw/zinc/95/34/65/533953465.db2.gz JTRUAEJKHZNXTF-VCBZYWHSSA-N 2 0 318.461 2.815 20 0 DFADRP C[C@@H]1Cc2ccccc2[C@@H]1[NH2+]CCCC[N@@H+]1CCC[C@H]1CO ZINC000305125448 534083687 /nfs/dbraw/zinc/08/36/87/534083687.db2.gz KZZOEMBZSFYWSI-HHXXYDBFSA-N 2 0 302.462 2.746 20 0 DFADRP CC(C)[N@H+](C)Cc1ccccc1C[NH2+][C@H]1CC[NH+](C)C[C@H]1C ZINC000154860278 519630379 /nfs/dbraw/zinc/63/03/79/519630379.db2.gz GDIWWINELGFRIG-APWZRJJASA-N 3 0 303.494 2.957 20 0 DFADRP CC(C)OCC[N@H+](C)[C@H]1CCC[NH+](CCOC(C)C)CC1 ZINC000156945030 519765316 /nfs/dbraw/zinc/76/53/16/519765316.db2.gz UUHYLGNYUVUMNS-KRWDZBQOSA-N 2 0 300.487 2.623 20 0 DFADRP CC(C)[C@H](C(=O)N1CCC[C@H](C[NH+]2CCCCCC2)C1)[NH+](C)C ZINC000154721013 519809123 /nfs/dbraw/zinc/80/91/23/519809123.db2.gz YKYGOXNYVCOJNJ-QZTJIDSGSA-N 2 0 323.525 2.687 20 0 DFADRP CCCOc1ccc(C[NH2+][C@@H]2CC[N@H+](C)[C@@H]3CCC[C@@H]32)cn1 ZINC000367617428 520370865 /nfs/dbraw/zinc/37/08/65/520370865.db2.gz NECVRNCQLGEGHM-BRWVUGGUSA-N 2 0 303.450 2.833 20 0 DFADRP CCOc1ccc(CC[NH2+][C@H]2CC[N@H+](C)C[C@@H]2C)cc1OCC ZINC000154903198 520954977 /nfs/dbraw/zinc/95/49/77/520954977.db2.gz UIAJLFZXFUUNNU-RDJZCZTQSA-N 2 0 320.477 2.956 20 0 DFADRP CC[C@H](C)[C@@H]([NH3+])C(=O)N(C)C1CC[NH+](C2CCC(C)CC2)CC1 ZINC000366329615 521825333 /nfs/dbraw/zinc/82/53/33/521825333.db2.gz YUSVJDCWICSSHU-QZOMQWOVSA-N 2 0 323.525 2.861 20 0 DFADRP CC[C@H](C)[C@@H](O)C[NH2+][C@@H](C)c1ccc(OCC[NH+](C)C)cc1 ZINC000163910959 521878765 /nfs/dbraw/zinc/87/87/65/521878765.db2.gz BXTLMLQNYSAWSD-MPGHIAIKSA-N 2 0 308.466 2.685 20 0 DFADRP CC[C@H]([NH3+])C(=O)NC[C@@H]1CCC[N@H+](C)[C@H]1c1cccc(Cl)c1 ZINC000364851138 522328378 /nfs/dbraw/zinc/32/83/78/522328378.db2.gz OIHUUQFVYHIKCM-BPUTZDHNSA-N 2 0 323.868 2.576 20 0 DFADRP C[NH+]1CCC(N2CC[C@@H]([NH2+]Cc3sccc3Cl)C2)CC1 ZINC000365939543 523771902 /nfs/dbraw/zinc/77/19/02/523771902.db2.gz ARSABQVJTWTRBH-GFCCVEGCSA-N 2 0 313.898 2.660 20 0 DFADRP C[N@@H+]1CC[C@H]([NH2+]CCCn2cnc3ccccc32)[C@H]2CCC[C@H]21 ZINC000367614791 523986705 /nfs/dbraw/zinc/98/67/05/523986705.db2.gz IULYMKJUEXNOCS-SOLBZPMBSA-N 2 0 312.461 2.889 20 0 DFADRP CSCCC[NH+]1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000182961125 525446411 /nfs/dbraw/zinc/44/64/11/525446411.db2.gz LORIXCDYCDDAIA-UHFFFAOYSA-N 2 0 300.512 2.564 20 0 DFADRP CC(C)O[C@@H]1C[C@H]([NH2+]C2CC[NH+](C[C@H]3CCOC3)CC2)C1(C)C ZINC000248947938 534912235 /nfs/dbraw/zinc/91/22/35/534912235.db2.gz ZMORAMHFOUEOQC-BPQIPLTHSA-N 2 0 324.509 2.669 20 0 DFADRP O=C(NC[C@@H]1CCC[N@H+](CCCC2CCCC2)C1)[C@H]1CCC[NH2+]1 ZINC000338149479 526513302 /nfs/dbraw/zinc/51/33/02/526513302.db2.gz FVNNIWMGOIDHHS-ZWKOTPCHSA-N 2 0 321.509 2.537 20 0 DFADRP CC(C)(C)OC1CC([NH2+]C2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)C1 ZINC000305866837 526541540 /nfs/dbraw/zinc/54/15/40/526541540.db2.gz ZVYGECHYPIKLLM-ZGUYJTEBSA-N 2 0 324.509 2.690 20 0 DFADRP CC(C)(CO)CC[NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]12 ZINC000294802329 527203880 /nfs/dbraw/zinc/20/38/80/527203880.db2.gz MZMUMQVYZBCQBQ-CEXWTWQISA-N 2 0 316.489 2.895 20 0 DFADRP Cn1nccc1[C@@H]1CCC[C@@H]([NH2+]CCC[NH+]2CCCCC2)C1 ZINC000364830753 527625981 /nfs/dbraw/zinc/62/59/81/527625981.db2.gz QKXIAFGYYUTCOP-IAGOWNOFSA-N 2 0 304.482 2.912 20 0 DFADRP CCOC(=O)[C@@H]1CC[C@@H]([NH2+]Cc2ccc3c[nH+]cn3c2)C[C@H]1C ZINC000297525698 527859375 /nfs/dbraw/zinc/85/93/75/527859375.db2.gz NPILPBTYIGRHKQ-FRFSOERESA-N 2 0 315.417 2.792 20 0 DFADRP CCN(CCC[NH+](CC)CC)C(=O)[C@@H](C)[C@H]([NH3+])c1ccccc1 ZINC000322978600 528102581 /nfs/dbraw/zinc/10/25/81/528102581.db2.gz YRCJOQDZRVUOBN-WMZOPIPTSA-N 2 0 319.493 2.903 20 0 DFADRP CCN(CCC[NH+](CC)CC)C(=O)C[C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000318471389 528102677 /nfs/dbraw/zinc/10/26/77/528102677.db2.gz FKKBIEAYZZMKSO-DLBZAZTESA-N 2 0 311.514 2.593 20 0 DFADRP CCN(CC)C(=O)[C@@H](C)[NH2+]Cc1ccccc1C[NH+](CC)CC ZINC000298131552 528200194 /nfs/dbraw/zinc/20/01/94/528200194.db2.gz YAYJBMSAZRUBLB-MRXNPFEDSA-N 2 0 319.493 2.875 20 0 DFADRP CCC[NH+]1CCC([NH2+]C2CCN(c3cc[nH+]cc3)CC2)CC1 ZINC000314142230 528202527 /nfs/dbraw/zinc/20/25/27/528202527.db2.gz PQCKCSOIPLNTJU-UHFFFAOYSA-N 3 0 302.466 2.514 20 0 DFADRP CC[NH+](CC)[C@@H](C(=O)NCCC[C@@H]1CCC[NH2+]1)c1ccccc1 ZINC000294841409 528225319 /nfs/dbraw/zinc/22/53/19/528225319.db2.gz MRECBJDOCIPTJX-ZWKOTPCHSA-N 2 0 317.477 2.718 20 0 DFADRP CC(C)[N@@H+](C)C[C@@H](C)N[C@@H]1C[C@H](C)[NH+](Cc2ccccc2)C1 ZINC000309817095 528829703 /nfs/dbraw/zinc/82/97/03/528829703.db2.gz OJUAHVRSYWMKCF-ZIFCJYIRSA-N 2 0 303.494 2.968 20 0 DFADRP CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)Nc1cc(C)cc(C[NH3+])c1 ZINC000332650238 529305917 /nfs/dbraw/zinc/30/59/17/529305917.db2.gz NGOFPXYCHLEKDH-IRXDYDNUSA-N 2 0 316.449 2.544 20 0 DFADRP CCCC[C@H]([NH3+])C(=O)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000236821707 535045297 /nfs/dbraw/zinc/04/52/97/535045297.db2.gz YMTKZYBRBPWSTR-SFHVURJKSA-N 2 0 317.477 2.806 20 0 DFADRP CC(C)[NH+]1CCC(NC(=O)C[NH2+]C(C)(C)c2ccccc2)CC1 ZINC000355548546 535158649 /nfs/dbraw/zinc/15/86/49/535158649.db2.gz UGSNSMWGNQLIBC-UHFFFAOYSA-N 2 0 317.477 2.500 20 0 DFADRP CC[NH2+]CC1CC[NH+](Cc2ccc(OC)c(OC)c2OC)CC1 ZINC000261844150 535459315 /nfs/dbraw/zinc/45/93/15/535459315.db2.gz YXLBJOQXRFJZJZ-UHFFFAOYSA-N 2 0 322.449 2.534 20 0 DFADRP CC[NH2+]CC1CC[NH+](Cc2ccc(N(C)C(C)C)nc2)CC1 ZINC000261753421 535460553 /nfs/dbraw/zinc/46/05/53/535460553.db2.gz CHMNEOUXRHZEHQ-UHFFFAOYSA-N 2 0 304.482 2.748 20 0 DFADRP CC[NH+](CC)[C@@H](CNC(=O)C[C@H](C)[NH3+])c1ccccc1Cl ZINC000261810565 535654255 /nfs/dbraw/zinc/65/42/55/535654255.db2.gz LVUBZDPBHCHNSD-WFASDCNBSA-N 2 0 311.857 2.576 20 0 DFADRP CC[NH+](CC)[C@H](CNC(=O)CC[C@H]1CCC[NH2+]1)c1ccccc1 ZINC000261898723 535670970 /nfs/dbraw/zinc/67/09/70/535670970.db2.gz OQHVQAKPBXOURO-QZTJIDSGSA-N 2 0 317.477 2.718 20 0 DFADRP CCOc1cc2c(cc1C[NH2+]C1CCC([NH3+])CC1)O[C@H](C)C2 ZINC000261982512 535689708 /nfs/dbraw/zinc/68/97/08/535689708.db2.gz RQRAUXIIQMMOTJ-UWTIGNOOSA-N 2 0 304.434 2.768 20 0 DFADRP CCOc1ccc(C(C)=O)cc1C[N@@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000261925097 535710184 /nfs/dbraw/zinc/71/01/84/535710184.db2.gz IMCWYQONTLQLIV-HNNXBMFYSA-N 2 0 304.434 2.849 20 0 DFADRP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@H](C)C2C(C)(C)C2(C)C)CC1 ZINC000354351428 535718947 /nfs/dbraw/zinc/71/89/47/535718947.db2.gz LBQCKRQYSLZASP-HZPDHXFCSA-N 2 0 309.542 2.920 20 0 DFADRP C[NH+](C)CCN(CC1CCCCC1)C(=O)CC1CC[NH+](C)CC1 ZINC000362597056 535853956 /nfs/dbraw/zinc/85/39/56/535853956.db2.gz TZNPVVOFXMYVND-UHFFFAOYSA-N 2 0 323.525 2.689 20 0 DFADRP C[NH+]1CCC(N[C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)CC1 ZINC000245714876 536345600 /nfs/dbraw/zinc/34/56/00/536345600.db2.gz NVBLADOBARAGBM-ACDBMABISA-N 2 0 313.489 2.866 20 0 DFADRP C[N@@H+]1CCC[C@H]1CC[NH2+][C@H](c1ccc2c(c1)OCCO2)C1CC1 ZINC000245967864 536390196 /nfs/dbraw/zinc/39/01/96/536390196.db2.gz ZGHJGTSVOKWNAU-LPHOPBHVSA-N 2 0 316.445 2.983 20 0 DFADRP COc1ccc(CC[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)cc1OC ZINC000261842232 536841104 /nfs/dbraw/zinc/84/11/04/536841104.db2.gz YUSUUZGJBOSKCQ-BBWFWOEESA-N 2 0 318.461 2.757 20 0 DFADRP COCCC1([NH2+]Cc2cn(-c3cc[nH+]cc3)nc2C)CCC1 ZINC000355492360 536865538 /nfs/dbraw/zinc/86/55/38/536865538.db2.gz GXDIQHDVVUEAMN-UHFFFAOYSA-N 2 0 300.406 2.625 20 0 DFADRP COc1ccccc1OC[C@H](C)C[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000358262966 537098077 /nfs/dbraw/zinc/09/80/77/537098077.db2.gz FYQASLQRXSLKNB-ZACQAIPSSA-N 2 0 318.461 2.927 20 0 DFADRP C[NH+]1CCN(C(C)(C)C[NH2+][C@@H]2CC[C@@H](c3ccccc3)C2)CC1 ZINC000681972191 545763011 /nfs/dbraw/zinc/76/30/11/545763011.db2.gz ULFQUIIWTVBOFN-RTBURBONSA-N 2 0 315.505 2.938 20 0 DFADRP CC[C@@H]1CN(C(=O)C(C)C)CC[C@H]1[NH2+]CCC[NH+]1CCCCC1 ZINC000682029910 545778664 /nfs/dbraw/zinc/77/86/64/545778664.db2.gz HWPWNOUVHIUVOH-QZTJIDSGSA-N 2 0 323.525 2.735 20 0 DFADRP Fc1ccc([C@@H](N[C@@H]2CC[N@H+](CC3CC3)C2)c2ncc[nH]2)cc1 ZINC000682132324 545802098 /nfs/dbraw/zinc/80/20/98/545802098.db2.gz BAMBEMGMVQENTO-IAGOWNOFSA-N 2 0 314.408 2.712 20 0 DFADRP C[C@H]([NH2+]C[C@@]1(O)CCC[C@@H](C(F)(F)F)C1)C1CC[NH+](C)CC1 ZINC000682143043 545804361 /nfs/dbraw/zinc/80/43/61/545804361.db2.gz HGARFAXYDAHSDU-NWANDNLSSA-N 2 0 322.415 2.790 20 0 DFADRP C[C@H]([NH2+]CC1CCN(CC(F)(F)F)CC1)C1CC[NH+](C)CC1 ZINC000682142310 545804443 /nfs/dbraw/zinc/80/44/43/545804443.db2.gz QJGCEQHHRDBETK-ZDUSSCGKSA-N 2 0 321.431 2.581 20 0 DFADRP C[C@@H]1C[N@H+](Cc2ccc(OCC[NH+](C)C)cc2)[C@@H](C)[C@@H](C)O1 ZINC000682168459 545812370 /nfs/dbraw/zinc/81/23/70/545812370.db2.gz ARFUTLMXXDLGIM-OWCLPIDISA-N 2 0 306.450 2.625 20 0 DFADRP OCC[N@H+](Cc1ccc(OCC[NH+]2CCCC2)cc1)C1CCC1 ZINC000682245979 545823816 /nfs/dbraw/zinc/82/38/16/545823816.db2.gz KXWUFBBJQJRLIM-UHFFFAOYSA-N 2 0 318.461 2.508 20 0 DFADRP C[C@H]([NH2+]C[C@@]1(CO)C[C@@H]1c1ccc(F)cc1)C1CC[NH+](C)CC1 ZINC000683229772 545992893 /nfs/dbraw/zinc/99/28/93/545992893.db2.gz WHHBNVVOLDGXBA-GDIGMMSISA-N 2 0 320.452 2.612 20 0 DFADRP C[C@H](O)C[NH+]1CCC(C[N@H+](C)Cc2cc3ccccc3[nH]2)CC1 ZINC000684022077 546137133 /nfs/dbraw/zinc/13/71/33/546137133.db2.gz FDWRZENCSPJANR-HNNXBMFYSA-N 2 0 315.461 2.693 20 0 DFADRP C[N@H+](CCC(=O)N1CCC[C@@H]1[C@@H]1CCC[NH+]1C)C1CCCCC1 ZINC000684163270 546162052 /nfs/dbraw/zinc/16/20/52/546162052.db2.gz JJSLYTQGRIZUMM-ZWKOTPCHSA-N 2 0 321.509 2.726 20 0 DFADRP Cc1cccc(CC[NH2+]Cc2ccc(OCC[NH+](C)C)cc2)n1 ZINC000684410653 546211889 /nfs/dbraw/zinc/21/18/89/546211889.db2.gz RDRLJUIQTYRUCL-UHFFFAOYSA-N 2 0 313.445 2.663 20 0 DFADRP Oc1cccc2c(NC3CC[NH+]([C@H]4CCOC4)CC3)cc[nH+]c12 ZINC000684578767 546246914 /nfs/dbraw/zinc/24/69/14/546246914.db2.gz YTFGPTRHIDAXCN-AWEZNQCLSA-N 2 0 313.401 2.606 20 0 DFADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)c1cccc(C2CCC2)c1 ZINC000684967243 546311028 /nfs/dbraw/zinc/31/10/28/546311028.db2.gz WYPHSVFXRJGQLD-UHFFFAOYSA-N 2 0 317.477 2.520 20 0 DFADRP C[N@H+](Cc1ccc(OCC[NH+]2CCCC2)cc1)[C@@H]1CCCOC1 ZINC000685438618 546349823 /nfs/dbraw/zinc/34/98/23/546349823.db2.gz JXPRWUJVYOTMHS-GOSISDBHSA-N 2 0 318.461 2.772 20 0 DFADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]C[C@@H](O)c1cc(F)cc(Cl)c1 ZINC000278390453 214137164 /nfs/dbraw/zinc/13/71/64/214137164.db2.gz AHMGRQJJILGPTL-NSLUBLRVSA-N 2 0 314.832 2.831 20 0 DFADRP CC[NH+]1CCC(CC[NH2+][C@H](C)c2cc(C(=O)OC)co2)CC1 ZINC000278664850 214311272 /nfs/dbraw/zinc/31/12/72/214311272.db2.gz IWOXPWPCTCXJEH-CYBMUJFWSA-N 2 0 308.422 2.839 20 0 DFADRP C[C@@H]([NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1)c1ccc2c(c1)OCO2 ZINC000278715491 214347158 /nfs/dbraw/zinc/34/71/58/214347158.db2.gz VTKIMFSKTZGTNG-LSDHHAIUSA-N 2 0 320.433 2.567 20 0 DFADRP C[C@@H]1COCC[C@@H]1[NH2+][C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000309857388 231107971 /nfs/dbraw/zinc/10/79/71/231107971.db2.gz LTOCTTDOJOJTSE-MTEHYEEQSA-N 2 0 314.473 2.912 20 0 DFADRP [NH3+]CC[C@H]1CCCC[N@@H+]1CCCc1nc(-c2cccs2)no1 ZINC000315694856 231143541 /nfs/dbraw/zinc/14/35/41/231143541.db2.gz XHMVCXBGAITCEV-CYBMUJFWSA-N 2 0 320.462 2.934 20 0 DFADRP c1ccc(CC[N@@H+]2CC[C@H](N[C@H]3CC[NH+]4CCC[C@H]4C3)C2)cc1 ZINC000322595209 231211784 /nfs/dbraw/zinc/21/17/84/231211784.db2.gz KUYHADQAUALEBW-UFYCRDLUSA-N 2 0 313.489 2.520 20 0 DFADRP CCCCCNC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](n2ccnc2C)C1 ZINC000591906975 398349100 /nfs/dbraw/zinc/34/91/00/398349100.db2.gz WUWIEXJWQWUUEW-GDBMZVCRSA-N 2 0 306.454 2.523 20 0 DFADRP CC(C)[N@H+](C)CC(=O)N1CCc2c1cccc2C[NH+]1CCCC1 ZINC000081422883 398348240 /nfs/dbraw/zinc/34/82/40/398348240.db2.gz ORERBRRVJKAUOW-UHFFFAOYSA-N 2 0 315.461 2.512 20 0 DFADRP CN(C)c1ccccc1C[N@@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000081634740 398365023 /nfs/dbraw/zinc/36/50/23/398365023.db2.gz GZNBFLDMLHDFMR-KRWDZBQOSA-N 2 0 301.478 2.916 20 0 DFADRP C[C@H](NC(=O)CC[C@@H]([NH3+])c1ccccc1)C(C)(C)C[NH+](C)C ZINC000237607485 398371570 /nfs/dbraw/zinc/37/15/70/398371570.db2.gz RYUUNEIRHFSRGD-GOEBONIOSA-N 2 0 305.466 2.559 20 0 DFADRP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@@H+]2C[C@@H]1C[C@H]1c1ccccc1 ZINC000459352555 299085804 /nfs/dbraw/zinc/08/58/04/299085804.db2.gz HSXNRLPNUUETLU-WPVAHCMFSA-N 2 0 314.473 2.974 20 0 DFADRP C[N@H+](Cc1ccco1)Cc1ccccc1C[NH2+][C@@H]1CCOC1 ZINC000088734678 185263560 /nfs/dbraw/zinc/26/35/60/185263560.db2.gz JOKBHHNMNGRUNC-QGZVFWFLSA-N 2 0 300.402 2.790 20 0 DFADRP CCO[C@H](CC[NH+](C)C)C[NH2+]C1CCN(c2ccccc2)CC1 ZINC000166006391 197686311 /nfs/dbraw/zinc/68/63/11/197686311.db2.gz MSIQOKPGAONNPR-LJQANCHMSA-N 2 0 319.493 2.602 20 0 DFADRP CCN1CC[NH+](CCCC[NH2+]CCc2ccc(Cl)cc2)CC1 ZINC000459373169 299089211 /nfs/dbraw/zinc/08/92/11/299089211.db2.gz JUVCFZLSDGAVLS-UHFFFAOYSA-N 2 0 323.912 2.890 20 0 DFADRP CCO[C@@H]1C[C@H]([NH2+]C2CC[NH+](C(C)(C)C)CC2)[C@@H]1SC ZINC000459387066 299093128 /nfs/dbraw/zinc/09/31/28/299093128.db2.gz JBUGVZNRPGKEQZ-ZNMIVQPWSA-N 2 0 300.512 2.748 20 0 DFADRP CC[N@@H+]1CC[C@@H](C[NH2+]C2CCC(C(=O)OC(C)(C)C)CC2)C1 ZINC000092562009 185325952 /nfs/dbraw/zinc/32/59/52/185325952.db2.gz UWUCPOHKQDATJN-FHERZECASA-N 2 0 310.482 2.818 20 0 DFADRP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+]1C[C@@H](C(N)=O)CC[C@H]1C ZINC000329764345 282251235 /nfs/dbraw/zinc/25/12/35/282251235.db2.gz VPOZVZYUTQXCSM-OCCSQVGLSA-N 2 0 313.405 2.711 20 0 DFADRP CCO[C@@H]1C[C@H]([NH2+]C[C@@H](C)C[NH+]2CCCCC2)[C@H]1SC ZINC000459387742 299093715 /nfs/dbraw/zinc/09/37/15/299093715.db2.gz JWVUMFRUWRDQNS-QKPAOTATSA-N 2 0 300.512 2.607 20 0 DFADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+]CCc2ccc(Cl)cc2)CC1 ZINC000459402249 299097856 /nfs/dbraw/zinc/09/78/56/299097856.db2.gz FVAAYACCPVPGBW-INIZCTEOSA-N 2 0 323.912 2.746 20 0 DFADRP C[C@@H]1C[C@H]([NH2+][C@H](CN2CC[NH+](C)CC2)c2ccccc2)[C@H]1C ZINC000584875336 398424219 /nfs/dbraw/zinc/42/42/19/398424219.db2.gz VFFMRDCKYQEJLP-KCITZHQASA-N 2 0 301.478 2.609 20 0 DFADRP C[N@H+](CCCc1nc(-c2cccs2)no1)[C@H]1CCC[NH2+]CC1 ZINC000318519236 529897392 /nfs/dbraw/zinc/89/73/92/529897392.db2.gz RDWUZEONVPTOLH-ZDUSSCGKSA-N 2 0 320.462 2.805 20 0 DFADRP COC(=O)c1cc(C[N@@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)oc1C ZINC000592433596 398425153 /nfs/dbraw/zinc/42/51/53/398425153.db2.gz LIQAUTJDVSTCGJ-GJZGRUSLSA-N 2 0 320.433 2.586 20 0 DFADRP CCO[C@@H]1C[C@H]([NH2+]C[C@H]2CCC[N@@H+](C(C)C)C2)[C@@H]1SC ZINC000459427346 299103930 /nfs/dbraw/zinc/10/39/30/299103930.db2.gz NCJRTEJTLVRNEQ-QXSJWSMHSA-N 2 0 300.512 2.605 20 0 DFADRP CC[N@H+](C)[C@@H](C(=O)N[C@H](C[NH3+])C1CCCCC1)c1ccccc1 ZINC000262611800 398432287 /nfs/dbraw/zinc/43/22/87/398432287.db2.gz XTOFWKCEMZTOOX-QZTJIDSGSA-N 2 0 317.477 2.703 20 0 DFADRP CCC[NH+](CCC)CCCNC(=O)[C@@H]1C[C@H]2CCCC[C@H]2[NH2+]1 ZINC000263250998 398434554 /nfs/dbraw/zinc/43/45/54/398434554.db2.gz JJVUGLHLLYPQDE-ZACQAIPSSA-N 2 0 309.498 2.535 20 0 DFADRP C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000459455706 299110466 /nfs/dbraw/zinc/11/04/66/299110466.db2.gz DEGIYJJULJTGML-YZGWKJHDSA-N 2 0 313.489 2.820 20 0 DFADRP C[N@@H+]1CCC[C@]2(CC[NH+](CCC(=O)Nc3ccc(F)cc3)C2)C1 ZINC000292999383 530065181 /nfs/dbraw/zinc/06/51/81/530065181.db2.gz OSDGZZLKMBEOFE-SFHVURJKSA-N 2 0 319.424 2.572 20 0 DFADRP CN1C(=O)CCc2cc(C[NH2+]Cc3ccc4c[nH+]cn4c3)ccc21 ZINC000297493978 530043288 /nfs/dbraw/zinc/04/32/88/530043288.db2.gz KTXDVIBWZGDVNS-UHFFFAOYSA-N 2 0 320.396 2.533 20 0 DFADRP C[N@@H+]1CCC[C@@]2(CC[NH+](C[C@@H](O)Cc3cccc(Cl)c3)C2)C1 ZINC000293043513 530059592 /nfs/dbraw/zinc/05/95/92/530059592.db2.gz SOTMEHQCTUPZNR-ZWKOTPCHSA-N 2 0 322.880 2.661 20 0 DFADRP C(Cc1nc2c(s1)CCCC2)[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000089667013 398462991 /nfs/dbraw/zinc/46/29/91/398462991.db2.gz BZUQSCBQZIAZOJ-ZIAGYGMSSA-N 2 0 305.491 2.781 20 0 DFADRP c1ccc2c(c1)[nH+]ccc2N1CC[NH+](CC[C@@H]2CCOC2)CC1 ZINC000459481846 299117794 /nfs/dbraw/zinc/11/77/94/299117794.db2.gz NYLWIBPWYMYVDY-MRXNPFEDSA-N 2 0 311.429 2.783 20 0 DFADRP COC(=O)c1cc([C@@H](C)N2CC[C@@]3(C2)CCC[N@H+](C)C3)oc1C ZINC000292893445 398487212 /nfs/dbraw/zinc/48/72/12/398487212.db2.gz GBKCYVFEWMYNPI-ACJLOTCBSA-N 2 0 320.433 2.853 20 0 DFADRP CCCC[C@H](COC)[NH2+]C1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000090524284 398488401 /nfs/dbraw/zinc/48/84/01/398488401.db2.gz DBYWXPDKMYWNPB-KURKYZTESA-N 2 0 312.498 2.549 20 0 DFADRP C[C@H]([NH2+]C[C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1)c1cnn(C)c1 ZINC000090708597 398492148 /nfs/dbraw/zinc/49/21/48/398492148.db2.gz RTISBOQCHCKHSX-BQFCYCMXSA-N 2 0 312.461 2.981 20 0 DFADRP COC[C@H]([NH2+]C[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1)C1CC1 ZINC000090708538 398492170 /nfs/dbraw/zinc/49/21/70/398492170.db2.gz FKQPKQGGHFYYDU-AYBZRNKSSA-N 2 0 302.462 2.912 20 0 DFADRP CC1CC[NH+](C2CCC([NH2+][C@H]3CCN(C)C[C@@H]3C)CC2)CC1 ZINC000090775282 398492856 /nfs/dbraw/zinc/49/28/56/398492856.db2.gz KOILYRAPPAHLRE-RGVPCPSESA-N 2 0 307.526 2.959 20 0 DFADRP CC(=O)Nc1ccc([C@@H](C)[NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000181941532 199366347 /nfs/dbraw/zinc/36/63/47/199366347.db2.gz FEJCJNXPBMIXIG-HIFRSBDPSA-N 2 0 301.434 2.780 20 0 DFADRP C[NH+](C)Cc1ccc(NC(=O)CC2CC[NH+](C)CC2)c(F)c1 ZINC000413935560 295750510 /nfs/dbraw/zinc/75/05/10/295750510.db2.gz DQLDMDPOOPRUMI-UHFFFAOYSA-N 2 0 307.413 2.558 20 0 DFADRP CC[C@H](CCO)C[NH2+][C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272672864 210076009 /nfs/dbraw/zinc/07/60/09/210076009.db2.gz QCCPTAHFAUVMTJ-YQVWRLOYSA-N 2 0 304.478 2.895 20 0 DFADRP c1cc(N2CCC([NH2+]CCCC3CCOCC3)CC2)cc[nH+]1 ZINC000459560169 299134353 /nfs/dbraw/zinc/13/43/53/299134353.db2.gz CJFIQRKLFRVTFG-UHFFFAOYSA-N 2 0 303.450 2.847 20 0 DFADRP CN1CC[NH+](CCCC[NH2+][C@H](c2ccccc2)C2CC2)CC1 ZINC000091285136 398524886 /nfs/dbraw/zinc/52/48/86/398524886.db2.gz IESZRXRWWSQGHF-LJQANCHMSA-N 2 0 301.478 2.755 20 0 DFADRP CCCOc1ccc(OCC[NH+]2CCC(CC[NH3+])CC2)cc1 ZINC000315360141 398524911 /nfs/dbraw/zinc/52/49/11/398524911.db2.gz IIAYLKXZNCLJKO-UHFFFAOYSA-N 2 0 306.450 2.915 20 0 DFADRP CC(C)[C@H]([NH2+]C1CC[NH+](C[C@@H]2CCOC2)CC1)c1cccnc1 ZINC000091343596 398525767 /nfs/dbraw/zinc/52/57/67/398525767.db2.gz VSSMFIZORVMKQX-LPHOPBHVSA-N 2 0 317.477 2.869 20 0 DFADRP c1ccc2c(c1)OC[C@@H]2C[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000459570453 299136743 /nfs/dbraw/zinc/13/67/43/299136743.db2.gz PGWBCTPCGFPEGV-HNNXBMFYSA-N 2 0 309.413 2.816 20 0 DFADRP C[NH+](C)Cc1ccc(NC(=O)C2CC[NH+](C3CC3)CC2)cc1 ZINC000279681365 215057328 /nfs/dbraw/zinc/05/73/28/215057328.db2.gz HFRPQXVKZONEFJ-UHFFFAOYSA-N 2 0 301.434 2.561 20 0 DFADRP CC[C@H]([NH2+]CC1(N2CCCCC2)CC[NH+](C)CC1)[C@H]1C[C@H]1C ZINC000414111710 295768514 /nfs/dbraw/zinc/76/85/14/295768514.db2.gz MSQUNYKGYVWFOT-SQNIBIBYSA-N 2 0 307.526 2.961 20 0 DFADRP Cc1cc(C)c([C@@H](C)[N@@H+]2CC[C@@H](N3CC[NH2+]CC3)C2)c(C)c1 ZINC000319780809 398543935 /nfs/dbraw/zinc/54/39/35/398543935.db2.gz ZHDPRTKKSFVXTD-QZTJIDSGSA-N 2 0 301.478 2.652 20 0 DFADRP CSC1(C[NH2+]Cc2cnc(C3CC3)s2)CC[NH+](C)CC1 ZINC000589325399 398545467 /nfs/dbraw/zinc/54/54/67/398545467.db2.gz JMNMSYOQQPIOKY-UHFFFAOYSA-N 2 0 311.520 2.938 20 0 DFADRP C[C@H](CC[NH+](C)C)N[C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]12 ZINC000272581193 210000166 /nfs/dbraw/zinc/00/01/66/210000166.db2.gz QOXDGPQYVLYHDI-RSPOEFSDSA-N 2 0 315.505 2.827 20 0 DFADRP CC(C)[NH+]1CCC([NH2+]C2CCN(Cc3cccnc3)CC2)CC1 ZINC000414254785 295781406 /nfs/dbraw/zinc/78/14/06/295781406.db2.gz JBELNGFDADJMDW-UHFFFAOYSA-N 2 0 316.493 2.508 20 0 DFADRP C[N@H+](CCCNC(=O)c1ccccc1CC[NH3+])C1CCCCC1 ZINC000321610510 398553468 /nfs/dbraw/zinc/55/34/68/398553468.db2.gz MPAYRIFBRWFBKH-UHFFFAOYSA-N 2 0 317.477 2.572 20 0 DFADRP COC(=O)c1oc(C[NH2+]CCCC[N@@H+]2CCC[C@H](C)C2)cc1C ZINC000597049040 398555526 /nfs/dbraw/zinc/55/55/26/398555526.db2.gz ZJLWWINNEQKWJC-AWEZNQCLSA-N 2 0 322.449 2.976 20 0 DFADRP C[N@H+](C[C@@H](O)Cc1cccc(Cl)c1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000286970340 219249936 /nfs/dbraw/zinc/24/99/36/219249936.db2.gz PIYBJCZWZZGSMM-WFFDWFOESA-N 2 0 322.880 2.800 20 0 DFADRP CCC[NH+]1CCC(C[NH2+]Cc2cc(C)c(C(=O)OC)o2)CC1 ZINC000597055328 398556748 /nfs/dbraw/zinc/55/67/48/398556748.db2.gz HWAYBDLOQRJEAS-UHFFFAOYSA-N 2 0 308.422 2.586 20 0 DFADRP COC(=O)c1ccc(C[NH2+]CC2CC[NH+](C)CC2)cc1Cl ZINC000597055903 398556946 /nfs/dbraw/zinc/55/69/46/398556946.db2.gz SCFXQOPHEOAZEO-UHFFFAOYSA-N 2 0 310.825 2.558 20 0 DFADRP CCCC[N@H+](C)CC1CC[NH+](CCn2nc(C)cc2C)CC1 ZINC000069220758 398557324 /nfs/dbraw/zinc/55/73/24/398557324.db2.gz MFGPIWWIONRIND-UHFFFAOYSA-N 2 0 306.498 2.944 20 0 DFADRP c1csc(N2CCC([NH2+]Cc3ccc4c[nH+]cn4c3)CC2)n1 ZINC000459657363 299157831 /nfs/dbraw/zinc/15/78/31/299157831.db2.gz HYBCYWPJWIDRKL-UHFFFAOYSA-N 2 0 313.430 2.549 20 0 DFADRP CCC[NH+]1CCC(NCc2ccc(OCC[NH+](C)C)cc2)CC1 ZINC000069669199 398579555 /nfs/dbraw/zinc/57/95/55/398579555.db2.gz UPMDIPIQEVBHCQ-UHFFFAOYSA-N 2 0 319.493 2.591 20 0 DFADRP O=C(Nc1ccc(CC[NH+]2CCCCC2)cc1)C1CC[NH2+]CC1 ZINC000272515150 209926155 /nfs/dbraw/zinc/92/61/55/209926155.db2.gz YCUMESIDVHZWNM-UHFFFAOYSA-N 2 0 315.461 2.653 20 0 DFADRP C[C@@H]1C[C@H]([NH2+]CCc2cn(C)cn2)CCN1Cc1ccccc1 ZINC000459666302 299159800 /nfs/dbraw/zinc/15/98/00/299159800.db2.gz RKFVSKXUZQCLPN-SJLPKXTDSA-N 3 0 312.461 2.605 20 0 DFADRP COC(=O)c1ccc2c(c1)[C@H](C[NH2+]C1CCN(C)CC1)CCC2 ZINC000597200207 398588245 /nfs/dbraw/zinc/58/82/45/398588245.db2.gz HDMUMNNEUSOJLY-INIZCTEOSA-N 2 0 316.445 2.577 20 0 DFADRP C[NH2+]CCC1CC[NH+](Cc2cc3c(c(Cl)c2)OCO3)CC1 ZINC000070189770 398593431 /nfs/dbraw/zinc/59/34/31/398593431.db2.gz RXZJRFGWCGBXFH-UHFFFAOYSA-N 2 0 310.825 2.890 20 0 DFADRP CCOC(=O)[C@@H]1CC[C@H]([NH2+]Cc2ccc(C[NH3+])cc2F)C[C@@H]1C ZINC000593317168 398596453 /nfs/dbraw/zinc/59/64/53/398596453.db2.gz RFJOWMGDRJTCDM-VBNZEHGJSA-N 2 0 322.424 2.742 20 0 DFADRP CCOC(=O)[C@H]1CC[C@@H]([NH2+]CCC2(C[NH3+])CC2)c2ccccc21 ZINC000593318201 398597574 /nfs/dbraw/zinc/59/75/74/398597574.db2.gz BAQQGSWACDNMQG-DLBZAZTESA-N 2 0 316.445 2.887 20 0 DFADRP CC[C@H]([NH2+]CCC1CC[NH2+]CC1)c1ccc(C(=O)OC)cc1 ZINC000593324592 398599532 /nfs/dbraw/zinc/59/95/32/398599532.db2.gz YARQFZSUUCFGCX-KRWDZBQOSA-N 2 0 304.434 2.904 20 0 DFADRP COc1ccc(COCC[NH2+][C@H]2C[C@H](C)[N@H+](C)C[C@H]2C)cc1 ZINC000133654020 186003662 /nfs/dbraw/zinc/00/36/62/186003662.db2.gz XQJSLOFJDCDBOI-VKJFTORMSA-N 2 0 306.450 2.530 20 0 DFADRP CCc1ccc(NC(=O)CN2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)cc1 ZINC000139844210 186024513 /nfs/dbraw/zinc/02/45/13/186024513.db2.gz STZNPVLFGXGMLO-SJLPKXTDSA-N 2 0 315.461 2.604 20 0 DFADRP C[C@H](c1ccc(Cl)cc1)[C@H](C)[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000280021291 215316934 /nfs/dbraw/zinc/31/69/34/215316934.db2.gz UAXABOPJFGBDLJ-GRDNDAEWSA-N 2 0 310.869 2.878 20 0 DFADRP C[C@H]1[NH2+]CCC[C@@H]1c1nc(-c2ccc(C[NH+](C)C)cc2)no1 ZINC000414620847 295808949 /nfs/dbraw/zinc/80/89/49/295808949.db2.gz LNXFQYBCVARBQW-DOMZBBRYSA-N 2 0 300.406 2.654 20 0 DFADRP Cc1nc2ccccc2n1CCC[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000155844275 186117458 /nfs/dbraw/zinc/11/74/58/186117458.db2.gz PZTIVRKURBICNY-ZBFHGGJFSA-N 2 0 300.450 2.807 20 0 DFADRP Cc1cccn2cc(Cc3noc(C[C@H](C)n4ccnc4)n3)nc12 ZINC000351440436 398634732 /nfs/dbraw/zinc/63/47/32/398634732.db2.gz ODERLBANYHPMKX-ZDUSSCGKSA-N 2 0 322.372 2.617 20 0 DFADRP Cc1cc(C[N@H+]2CC[C@H](N3CC[NH+](C(C)C)CC3)C2)cs1 ZINC000590640471 398644026 /nfs/dbraw/zinc/64/40/26/398644026.db2.gz BKPAMASYNNUIJW-KRWDZBQOSA-N 2 0 307.507 2.657 20 0 DFADRP CCOc1ccccc1N1CC[NH+](C[C@H]2CC[NH2+][C@@H](C)C2)CC1 ZINC000414681815 295815428 /nfs/dbraw/zinc/81/54/28/295815428.db2.gz WRSKUIHVSQLGMC-IRXDYDNUSA-N 2 0 317.477 2.595 20 0 DFADRP CC[C@H](C(=O)NC[C@@H](c1ccsc1)[NH+](C)C)[NH+](CC)CC ZINC000266864165 186363277 /nfs/dbraw/zinc/36/32/77/186363277.db2.gz VNDUWMGOOIGPDS-CABCVRRESA-N 2 0 311.495 2.587 20 0 DFADRP CCN(CC)C(=O)C1([NH2+]C[C@@H]2CC[NH2+][C@H](C)C2)CCCCC1 ZINC000414697543 295817232 /nfs/dbraw/zinc/81/72/32/295817232.db2.gz CDKCNWAFBPGXSJ-HZPDHXFCSA-N 2 0 309.498 2.535 20 0 DFADRP C[C@H]([NH2+]CC(C)(C)C[NH+](C)C)c1cccc(N2CCOCC2)c1 ZINC000268746201 186376622 /nfs/dbraw/zinc/37/66/22/186376622.db2.gz RZNPGCZHQFPWSC-INIZCTEOSA-N 2 0 319.493 2.762 20 0 DFADRP C[C@@H]1CN(Cc2ccccc2)C[C@@H]1[NH2+]CC[C@@H]1CCC[N@H+](C)C1 ZINC000459730581 299174698 /nfs/dbraw/zinc/17/46/98/299174698.db2.gz KSDTXGZNWMQZKQ-HOJAQTOUSA-N 2 0 315.505 2.828 20 0 DFADRP C[C@@H]1CN(Cc2ccccc2)C[C@H]1[NH2+]CC[C@@H]1CCC[N@H+](C)C1 ZINC000459730587 299175011 /nfs/dbraw/zinc/17/50/11/299175011.db2.gz KSDTXGZNWMQZKQ-YZGWKJHDSA-N 2 0 315.505 2.828 20 0 DFADRP C[N@@H+]1CCC[C@H](CC[NH2+]Cc2cccc3c2OCCCO3)C1 ZINC000459729362 299174857 /nfs/dbraw/zinc/17/48/57/299174857.db2.gz JCUAIJFSERGZEB-OAHLLOKOSA-N 2 0 304.434 2.669 20 0 DFADRP COCCOCc1ccc(C[NH2+]CC[C@H]2CCC[N@H+](C)C2)cc1 ZINC000459732459 299176067 /nfs/dbraw/zinc/17/60/67/299176067.db2.gz FZEVJLUKSXDXQT-GOSISDBHSA-N 2 0 320.477 2.671 20 0 DFADRP C[N@@H+]1CCC[C@@H](CC[NH2+]Cc2cnn(-c3ccc(F)cc3)c2)C1 ZINC000459735915 299176421 /nfs/dbraw/zinc/17/64/21/299176421.db2.gz PZBGKJXMUSYJDV-HNNXBMFYSA-N 2 0 316.424 2.833 20 0 DFADRP Fc1cccc(Br)c1C[NH2+]CC[C@@H]1CC[NH2+]C1 ZINC000414832293 295823618 /nfs/dbraw/zinc/82/36/18/295823618.db2.gz OKWNGMJUGXEZLE-JTQLQIEISA-N 2 0 301.203 2.677 20 0 DFADRP CC[C@@H](Cc1ccc(OC)c(OC)c1)[NH2+]CC[C@H]1CC[NH2+]C1 ZINC000414827529 295822860 /nfs/dbraw/zinc/82/28/60/295822860.db2.gz HEHDYGYWGVJBNX-ZBFHGGJFSA-N 2 0 306.450 2.614 20 0 DFADRP Cc1nn(-c2ccc(F)cc2)c(C)c1C[NH2+]CC[C@@H]1CC[NH2+]C1 ZINC000414833117 295823909 /nfs/dbraw/zinc/82/39/09/295823909.db2.gz PFLFQNACOLWCFR-HNNXBMFYSA-N 2 0 316.424 2.717 20 0 DFADRP C/C(=C\c1ccc(Cl)cc1)C[NH2+][C@@H](C)CN1CC[NH+](C)CC1 ZINC000119136608 282759764 /nfs/dbraw/zinc/75/97/64/282759764.db2.gz IEWYILTXENGKIR-STTHAQSSSA-N 2 0 321.896 2.969 20 0 DFADRP c1cc(OC[C@H]2CCCO2)ccc1C[NH2+]CC[C@H]1CCC[NH2+]C1 ZINC000414848802 295825785 /nfs/dbraw/zinc/82/57/85/295825785.db2.gz LDEAKGQWABGBJR-VQIMIIECSA-N 2 0 318.461 2.724 20 0 DFADRP CCCOc1cc(C[NH2+]CC[C@H]2CCC[NH2+]C2)ccc1OC ZINC000414855201 295826751 /nfs/dbraw/zinc/82/67/51/295826751.db2.gz VZDMICBWKZYHOD-OAHLLOKOSA-N 2 0 306.450 2.963 20 0 DFADRP Fc1ccc(C[NH2+]CCN2CC[NH2+]CC2)cc1-c1cccs1 ZINC000414872680 295828683 /nfs/dbraw/zinc/82/86/83/295828683.db2.gz WQDSLTBDXZUDGE-UHFFFAOYSA-N 2 0 319.449 2.549 20 0 DFADRP CC(C)(C)c1nn(-c2ccccc2)cc1C[NH2+]CCCC[NH3+] ZINC000414901607 295832493 /nfs/dbraw/zinc/83/24/93/295832493.db2.gz ISPKYVYXRNSVTI-UHFFFAOYSA-N 2 0 300.450 2.998 20 0 DFADRP Cc1nn(Cc2ccccc2)c(C)c1C[NH2+][C@H]1CCC[C@H]([NH3+])C1 ZINC000414908264 295833403 /nfs/dbraw/zinc/83/34/03/295833403.db2.gz BEFCHZHXKAXZPS-ROUUACIJSA-N 2 0 312.461 2.908 20 0 DFADRP Cc1nn(Cc2ccccc2)c(C)c1C[NH2+][C@H]1CCC[NH2+]CC1 ZINC000414910017 295833466 /nfs/dbraw/zinc/83/34/66/295833466.db2.gz FDTTVGLZAOPYSM-SFHVURJKSA-N 2 0 312.461 2.780 20 0 DFADRP CCc1ccccc1NC(=O)C[C@H](C)[NH2+]CC1(C)CC[NH2+]CC1 ZINC000414915249 295834249 /nfs/dbraw/zinc/83/42/49/295834249.db2.gz ZLLSXLBWLNXTLW-HNNXBMFYSA-N 2 0 317.477 2.945 20 0 DFADRP CCSc1cccc(C[NH2+]CC2(COC)CC[NH2+]CC2)c1 ZINC000414974088 295843044 /nfs/dbraw/zinc/84/30/44/295843044.db2.gz LUYRTNWXUWZUIT-UHFFFAOYSA-N 2 0 308.491 2.904 20 0 DFADRP OC[C@H]1CN(Cc2ccccc2)CC[C@H]1[NH2+]C1CC(C(F)F)C1 ZINC000681091081 545595734 /nfs/dbraw/zinc/59/57/34/545595734.db2.gz XGNMXDZVYPLJIE-MNAZLIDISA-N 2 0 324.415 2.503 20 0 DFADRP COCC1(C[NH2+]C/C=C/c2ccc(F)cc2F)CC[NH2+]CC1 ZINC000414981818 295843841 /nfs/dbraw/zinc/84/38/41/295843841.db2.gz XLRMDKANAIFPKI-NSCUHMNNSA-N 2 0 310.388 2.584 20 0 DFADRP c1nc(-c2ccccn2)sc1C[NH2+]CCC[C@H]1CCC[NH2+]1 ZINC000414983564 295843908 /nfs/dbraw/zinc/84/39/08/295843908.db2.gz ZWKKTIARCSPWOX-ZDUSSCGKSA-N 2 0 302.447 2.827 20 0 DFADRP COc1ccc(C[NH2+]C[C@H]2CCC[C@@H]([NH3+])C2)c(OC(F)F)c1 ZINC000414995686 295845203 /nfs/dbraw/zinc/84/52/03/295845203.db2.gz NTZRNJCYQKWFPY-WCQYABFASA-N 2 0 314.376 2.904 20 0 DFADRP CCOc1cc(C[NH2+][C@@H]2C[C@H]2C2CC[NH2+]CC2)ccc1OC ZINC000415004029 295846410 /nfs/dbraw/zinc/84/64/10/295846410.db2.gz HDGOKCHLYJHBOE-JKSUJKDBSA-N 2 0 304.434 2.572 20 0 DFADRP Cc1nn(-c2cccc(F)c2)cc1C[NH2+]C(C)(C)CCC[NH3+] ZINC000415007694 295846625 /nfs/dbraw/zinc/84/66/25/295846625.db2.gz BXQLHCRCXVUCCI-UHFFFAOYSA-N 2 0 304.413 2.927 20 0 DFADRP C[C@@H](CCC[NH3+])[NH2+]Cc1nc2cc(C(F)(F)F)ccc2n1C ZINC000415021157 295847857 /nfs/dbraw/zinc/84/78/57/295847857.db2.gz JYYUYPFMXSSCPF-JTQLQIEISA-N 2 0 314.355 2.809 20 0 DFADRP [NH3+][C@H]1CCC[C@H](C[NH2+]Cc2ncc(Br)s2)C1 ZINC000415013230 295847350 /nfs/dbraw/zinc/84/73/50/295847350.db2.gz YEWDTQAKFPFVIK-IUCAKERBSA-N 2 0 304.257 2.513 20 0 DFADRP COc1cccc(NC(=O)C[C@@H](C)[NH2+][C@@H](C)CCCC[NH3+])c1 ZINC000415014217 295847359 /nfs/dbraw/zinc/84/73/59/295847359.db2.gz LPLJILVSDXZUIJ-UONOGXRCSA-N 2 0 307.438 2.519 20 0 DFADRP CC(C)[C@H](C(=O)N1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C)C1)[NH+](C)C ZINC000072808758 191231584 /nfs/dbraw/zinc/23/15/84/191231584.db2.gz PPTSKYDESGRKPV-FGTMMUONSA-N 2 0 323.525 2.686 20 0 DFADRP [NH3+]C[C@@H]1CC[C@@H]([NH2+]Cc2cc(Cl)c3c(c2)OCCCO3)C1 ZINC000415027590 295848241 /nfs/dbraw/zinc/84/82/41/295848241.db2.gz BEXFQQXOOIAKRM-DGCLKSJQSA-N 2 0 310.825 2.718 20 0 DFADRP COC(=O)c1ccc(Cl)c(C[NH2+]C[C@H]2CC[C@H](C[NH3+])CC2)c1 ZINC000415027223 295848340 /nfs/dbraw/zinc/84/83/40/295848340.db2.gz WBVPOOQMJGXTJZ-JOCQHMNTSA-N 2 0 324.852 2.981 20 0 DFADRP COc1cc(Br)ccc1C[NH2+][C@@H](C)CCC[NH3+] ZINC000415026011 295848347 /nfs/dbraw/zinc/84/83/47/295848347.db2.gz SLQIUIMWWOYYHV-JTQLQIEISA-N 2 0 301.228 2.675 20 0 DFADRP [NH3+]C[C@@H]1CC[C@H]([NH2+]Cc2ccc(Br)cc2F)C1 ZINC000415029072 295848595 /nfs/dbraw/zinc/84/85/95/295848595.db2.gz DFMHYOQSEJOUHN-SKDRFNHKSA-N 2 0 301.203 2.805 20 0 DFADRP COc1ccc(Br)cc1C[NH2+][C@H]1CC[C@@H](C[NH3+])C1 ZINC000415028711 295848661 /nfs/dbraw/zinc/84/86/61/295848661.db2.gz DDHXDTJDAZGUJG-MFKMUULPSA-N 2 0 313.239 2.675 20 0 DFADRP [NH3+]C[C@@H]1CC[C@@H]([NH2+]Cc2c[nH]nc2-c2ccc(Cl)cc2)C1 ZINC000415037013 295849551 /nfs/dbraw/zinc/84/95/51/295849551.db2.gz LVLDJXUEPCTLEK-IAQYHMDHSA-N 2 0 304.825 2.947 20 0 DFADRP COc1ccc(C[NH2+][C@H]2CC[C@@H](C[NH3+])C2)cc1OCC(C)C ZINC000415031516 295849059 /nfs/dbraw/zinc/84/90/59/295849059.db2.gz GXYCXTFQFHIGGD-ZBFHGGJFSA-N 2 0 306.450 2.947 20 0 DFADRP CC(C)[C@@H](C[NH2+]C[C@H](C)Cc1ccccc1)N1CC[NH+](C)CC1 ZINC000182051922 199379824 /nfs/dbraw/zinc/37/98/24/199379824.db2.gz VOGKMELXGBOEKX-UYAOXDASSA-N 2 0 317.521 2.727 20 0 DFADRP COc1ccc(CCC[NH2+]C[C@H]2CC[NH2+][C@H](C)C2)cc1OC ZINC000415077791 295855235 /nfs/dbraw/zinc/85/52/35/295855235.db2.gz FLHWSISRPJAAHY-ZBFHGGJFSA-N 2 0 306.450 2.614 20 0 DFADRP C[C@H]([NH2+]Cc1ccc(OCC(F)(F)F)cc1)[C@H]1CC[NH2+]C1 ZINC000415079686 295855294 /nfs/dbraw/zinc/85/52/94/295855294.db2.gz IHAXXJQIACGBRN-AAEUAGOBSA-N 2 0 302.340 2.715 20 0 DFADRP Cn1ccc([C@@H]([NH2+]C2CCC(C[NH3+])CC2)c2ccc(F)cc2)n1 ZINC000415076850 295855074 /nfs/dbraw/zinc/85/50/74/295855074.db2.gz GSXOHNNPCIIOEB-AUCFXJAVSA-N 2 0 316.424 2.756 20 0 DFADRP C[C@@H]1C[C@@H](C[NH2+]Cc2cc(Cl)c3c(c2)OCCO3)CC[NH2+]1 ZINC000415089886 295856774 /nfs/dbraw/zinc/85/67/74/295856774.db2.gz YLETYNCCYBZUCJ-NEPJUHHUSA-N 2 0 310.825 2.589 20 0 DFADRP CC1CCN(c2ccc(C[NH2+][C@@H]3CCC[NH2+]CC3)cn2)CC1 ZINC000415083406 295855999 /nfs/dbraw/zinc/85/59/99/295855999.db2.gz NKDLEFREKCVAQQ-QGZVFWFLSA-N 2 0 302.466 2.550 20 0 DFADRP CCCOc1cccc(C[NH2+]CCCN2CCC[N@H+](C)CC2)c1 ZINC000105476410 398693619 /nfs/dbraw/zinc/69/36/19/398693619.db2.gz WDTBEEQAHNNAMH-UHFFFAOYSA-N 2 0 319.493 2.593 20 0 DFADRP CC(C)[NH+]1CCC(C(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)CC1 ZINC000073764135 398699721 /nfs/dbraw/zinc/69/97/21/398699721.db2.gz YKOPQYSMTNGDDR-MRXNPFEDSA-N 2 0 311.514 2.589 20 0 DFADRP [NH3+][C@@H]1CCO[C@@H](C2CC[NH+](Cc3cc(F)ccc3F)CC2)C1 ZINC000415117884 295860166 /nfs/dbraw/zinc/86/01/66/295860166.db2.gz CMPMSZIWQHGNAH-NVXWUHKLSA-N 2 0 310.388 2.683 20 0 DFADRP CC[NH+](CC)Cc1ccc(C(=O)N(C)CC2CC[NH+](C)CC2)o1 ZINC000590915976 398700140 /nfs/dbraw/zinc/70/01/40/398700140.db2.gz FVCRXSUPWKQGGR-UHFFFAOYSA-N 2 0 321.465 2.535 20 0 DFADRP Cc1cc(F)ccc1C[NH+]1CCC([C@@H]2C[C@@H]([NH3+])CCO2)CC1 ZINC000415117867 295860354 /nfs/dbraw/zinc/86/03/54/295860354.db2.gz CMBVRGAAEONMJG-ROUUACIJSA-N 2 0 306.425 2.852 20 0 DFADRP CC1CCC([NH2+]Cc2ccc(C(=O)NCC[NH+](C)C)cc2)CC1 ZINC000174411563 198332029 /nfs/dbraw/zinc/33/20/29/198332029.db2.gz KZPXTYPWAUCNGX-UHFFFAOYSA-N 2 0 317.477 2.646 20 0 DFADRP [NH3+][C@@H]1CCO[C@@H](C2CC[NH+](Cc3ccc(F)c(F)c3)CC2)C1 ZINC000415130494 295862447 /nfs/dbraw/zinc/86/24/47/295862447.db2.gz XBWVZFAXIROGNS-RHSMWYFYSA-N 2 0 310.388 2.683 20 0 DFADRP CC[NH+](CC)[C@H](C(=O)NC[C@@H]1CCC[N@H+](C)C1)c1ccccc1 ZINC000108462044 398711333 /nfs/dbraw/zinc/71/13/33/398711333.db2.gz DXHKNUDUYVZQLX-WMZOPIPTSA-N 2 0 317.477 2.528 20 0 DFADRP CCC[NH+]1CCC(CNC(=O)[C@@H](C)[C@H]([NH3+])c2ccccc2)CC1 ZINC000236770545 202001657 /nfs/dbraw/zinc/00/16/57/202001657.db2.gz RELXAYCVJYRICI-YJBOKZPZSA-N 2 0 317.477 2.561 20 0 DFADRP CC(C)[C@H]([NH3+])C(=O)Nc1ccc(C[N@@H+]2CCCC[C@H]2C)cc1 ZINC000236795722 202013728 /nfs/dbraw/zinc/01/37/28/202013728.db2.gz CAINUYZNYVHDNX-PBHICJAKSA-N 2 0 303.450 2.983 20 0 DFADRP CCC([NH3+])(CC)CNC(=O)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000236798883 202016032 /nfs/dbraw/zinc/01/60/32/202016032.db2.gz FOKDMNWQGSZJKG-KRWDZBQOSA-N 2 0 317.477 2.532 20 0 DFADRP COC(=O)[C@H](C)[C@@H](NCC[C@@H]1CCC[N@@H+]1C)c1ccccc1 ZINC000129195150 283005768 /nfs/dbraw/zinc/00/57/68/283005768.db2.gz ATPYJZWVTFHFDL-HYVNUMGLSA-N 2 0 304.434 2.611 20 0 DFADRP FC(F)(F)[C@H]1CCC[C@H]([NH2+]CCCC[NH+]2CCOCC2)C1 ZINC000129308921 283009906 /nfs/dbraw/zinc/00/99/06/283009906.db2.gz SYRDXQJIBLLAAG-KBPBESRZSA-N 2 0 308.388 2.810 20 0 DFADRP C[C@H]1C[C@@H](C(=O)N2CCC[C@@H]2C[NH+]2CCCCCC2)CC[N@@H+]1C ZINC000368250729 291037827 /nfs/dbraw/zinc/03/78/27/291037827.db2.gz RHXBJZAHXPGPEP-OKZBNKHCSA-N 2 0 321.509 2.584 20 0 DFADRP C[N@@H+]1CC[C@@H](NCCC[NH+]2CCCCC2)[C@H]1c1ccccc1 ZINC000284318916 283058442 /nfs/dbraw/zinc/05/84/42/283058442.db2.gz POQDRDGQBQGDQR-RTBURBONSA-N 2 0 301.478 2.897 20 0 DFADRP CC[C@H]1CCCCN1C(=O)[C@@H](C)[N@H+](C)CCCn1ccnc1C ZINC000130742638 283059572 /nfs/dbraw/zinc/05/95/72/283059572.db2.gz XIQQLRSCOXTOTP-WBVHZDCISA-N 2 0 320.481 2.693 20 0 DFADRP C[N@H+](CCC(=O)N1CCC[C@H]([NH+]2CCCC2)C1)C1CCCCC1 ZINC000681127215 545601029 /nfs/dbraw/zinc/60/10/29/545601029.db2.gz ZKWAGYNSTSPQCV-SFHVURJKSA-N 2 0 321.509 2.728 20 0 DFADRP CC(C)[C@@H](C(=O)N1CCC[N@@H+](C(C)(C)C)CC1)[NH+]1CCCCC1 ZINC000591163906 398735063 /nfs/dbraw/zinc/73/50/63/398735063.db2.gz XZCZQYCOMUMOQD-KRWDZBQOSA-N 2 0 323.525 2.830 20 0 DFADRP OCC[NH+]1CCC(C[NH2+][C@@H]2CC[C@@H](c3ccccc3)C2)CC1 ZINC000131281627 283078207 /nfs/dbraw/zinc/07/82/07/283078207.db2.gz KHTHLFFVSVBBBP-RTBURBONSA-N 2 0 302.462 2.617 20 0 DFADRP CC[NH2+]Cc1cccc(NC(=O)N[C@H](C)C[NH+]2CCCCC2)c1 ZINC000415904390 295900262 /nfs/dbraw/zinc/90/02/62/295900262.db2.gz AUWNHDZSOSMSIB-OAHLLOKOSA-N 2 0 318.465 2.792 20 0 DFADRP CC[NH2+]Cc1cccc(NC(=O)NC[C@@H](C)[NH+](CC)CC)c1 ZINC000415918104 295901811 /nfs/dbraw/zinc/90/18/11/295901811.db2.gz LEIFYQQIHLWQBC-CQSZACIVSA-N 2 0 306.454 2.648 20 0 DFADRP CC[NH2+]Cc1cccc(NC(=O)NC(C)(C)C[NH+]2CCCC2)c1 ZINC000415929980 295903402 /nfs/dbraw/zinc/90/34/02/295903402.db2.gz ICTNJHSGMXGFDL-UHFFFAOYSA-N 2 0 318.465 2.792 20 0 DFADRP CC[NH2+]Cc1ccccc1NC(=O)NC(C)(C)C[NH+]1CCCC1 ZINC000415932924 295903830 /nfs/dbraw/zinc/90/38/30/295903830.db2.gz OSLOJKJXYAHTSR-UHFFFAOYSA-N 2 0 318.465 2.792 20 0 DFADRP C[NH2+]Cc1ccc(NC(=O)NCC2(C[NH+](C)C)CCCC2)cc1 ZINC000415986511 295908742 /nfs/dbraw/zinc/90/87/42/295908742.db2.gz UZTPUMOPPIVTLM-UHFFFAOYSA-N 2 0 318.465 2.650 20 0 DFADRP C[NH2+]Cc1ccc(NC(=O)NCC[C@@H](C)[NH+]2CCCCC2)cc1 ZINC000415987766 295909021 /nfs/dbraw/zinc/90/90/21/295909021.db2.gz YKSMNZLFNMSBGZ-OAHLLOKOSA-N 2 0 318.465 2.792 20 0 DFADRP CCC(CC)[C@@H](CNC(=O)Nc1ccc2c(c1)C[NH2+]C2)[NH+](C)C ZINC000415994847 295910036 /nfs/dbraw/zinc/91/00/36/295910036.db2.gz IXTWDHXJKVYVSY-QGZVFWFLSA-N 2 0 318.465 2.778 20 0 DFADRP C[NH2+]Cc1ccc(NC(=O)NCC(C)(C)C[NH+]2CCCC2)cc1 ZINC000416010892 295911508 /nfs/dbraw/zinc/91/15/08/295911508.db2.gz OVWOMWFUYUIQHG-UHFFFAOYSA-N 2 0 318.465 2.650 20 0 DFADRP CCCC[C@@H](C[NH3+])NC(=O)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000236854370 202039590 /nfs/dbraw/zinc/03/95/90/202039590.db2.gz TYJYYWUXKPIYHU-ROUUACIJSA-N 2 0 317.477 2.532 20 0 DFADRP CCC[C@H]([NH3+])C(=O)NC[C@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC000236867760 202042861 /nfs/dbraw/zinc/04/28/61/202042861.db2.gz ZWHPUSZBAKBHCB-JKSUJKDBSA-N 2 0 323.868 2.721 20 0 DFADRP CCC[C@H]([NH3+])C(=O)NC[C@H](c1cccs1)[NH+]1CCC(C)CC1 ZINC000236867627 202043801 /nfs/dbraw/zinc/04/38/01/202043801.db2.gz ISRLTRDSLSNRKQ-LSDHHAIUSA-N 2 0 323.506 2.765 20 0 DFADRP CCC[C@H]([NH3+])C(=O)NCc1ccccc1C[NH+]1CCCCCC1 ZINC000236883125 202051869 /nfs/dbraw/zinc/05/18/69/202051869.db2.gz GSTFHHCCYIJYGR-SFHVURJKSA-N 2 0 317.477 2.806 20 0 DFADRP CC[C@H](C)[C@H]([NH3+])C(=O)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000236891748 202056540 /nfs/dbraw/zinc/05/65/40/202056540.db2.gz LUSUVNZPGMJHRE-YJBOKZPZSA-N 2 0 317.477 2.662 20 0 DFADRP CCC[NH+]1CCC(C[NH2+]Cc2nn(C)c3ccccc23)CC1 ZINC000591708139 398781397 /nfs/dbraw/zinc/78/13/97/398781397.db2.gz WGAMTSDYGNRISO-UHFFFAOYSA-N 2 0 300.450 2.785 20 0 DFADRP CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)[C@]2(CC)CCC[NH2+]2)C1 ZINC000134601923 283193647 /nfs/dbraw/zinc/19/36/47/283193647.db2.gz VDCYCJBNDJONGZ-YJBOKZPZSA-N 2 0 309.498 2.535 20 0 DFADRP CC[C@@H](C)[C@H]([NH3+])C(=O)NCC1([NH+]2CCCCC2)CCCCC1 ZINC000236919248 202071774 /nfs/dbraw/zinc/07/17/74/202071774.db2.gz KJWFDVSZOBUYSC-CVEARBPZSA-N 2 0 309.498 2.665 20 0 DFADRP CC[NH+](CC)Cc1cccc(CNC(=O)[C@H]2CCC[C@H]([NH3+])C2)c1 ZINC000236923937 202072981 /nfs/dbraw/zinc/07/29/81/202072981.db2.gz BIMNGWFMKQHSBQ-ROUUACIJSA-N 2 0 317.477 2.662 20 0 DFADRP CC[NH+](CC)Cc1cccc(NC(=O)[C@]2(C)CCC[NH2+]C2)c1 ZINC000236930028 202076545 /nfs/dbraw/zinc/07/65/45/202076545.db2.gz BBKRLNJZVXZULS-GOSISDBHSA-N 2 0 303.450 2.857 20 0 DFADRP CC[NH+](CC)Cc1cccc(NC(=O)[C@H]2CCC[C@@H]([NH3+])C2)c1 ZINC000236929888 202077291 /nfs/dbraw/zinc/07/72/91/202077291.db2.gz IZELLNBJMADMGN-JKSUJKDBSA-N 2 0 303.450 2.984 20 0 DFADRP CC[NH+]1CCN(C[C@H](C)C[NH2+]Cc2cccc3cc[nH]c32)CC1 ZINC000236952201 202089775 /nfs/dbraw/zinc/08/97/75/202089775.db2.gz LAVICHVLIMEMPA-MRXNPFEDSA-N 2 0 314.477 2.531 20 0 DFADRP CC[C@@H](C)[C@H]([NH3+])C(=O)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000236951188 202090667 /nfs/dbraw/zinc/09/06/67/202090667.db2.gz LUSUVNZPGMJHRE-QAPCUYQASA-N 2 0 317.477 2.662 20 0 DFADRP CC[C@@]1(C(=O)NCC[C@@H](C)[N@H+](C)Cc2ccccc2)CCC[NH2+]1 ZINC000134616983 283194502 /nfs/dbraw/zinc/19/45/02/283194502.db2.gz RXIOOLNHHABFIQ-APWZRJJASA-N 2 0 317.477 2.545 20 0 DFADRP C[NH+](C)CC[C@H](NC(=O)C[C@@H]([NH3+])c1ccccc1)C(C)(C)C ZINC000236986364 202108580 /nfs/dbraw/zinc/10/85/80/202108580.db2.gz JHJBNPPVROCHHF-CVEARBPZSA-N 2 0 305.466 2.559 20 0 DFADRP CC[N@H+](Cc1ccc(C(=O)N2C[C@@H](C)[NH2+]C[C@@H]2C)cc1)C(C)C ZINC000236994159 202112685 /nfs/dbraw/zinc/11/26/85/202112685.db2.gz GHDHFBZUBDPYHB-CVEARBPZSA-N 2 0 317.477 2.739 20 0 DFADRP CC[C@@H](C)[C@@H]([NH3+])C(=O)Nc1cccc(CC[NH+]2CCCC2)c1 ZINC000237018384 202124264 /nfs/dbraw/zinc/12/42/64/202124264.db2.gz UCWPVIZREFLWJN-RHSMWYFYSA-N 2 0 303.450 2.637 20 0 DFADRP Cc1ccc(C[NH+](C)C)cc1NC(=O)[C@H]1Cc2ccccc2C[NH2+]1 ZINC000237065821 202141005 /nfs/dbraw/zinc/14/10/05/202141005.db2.gz MRINOPODJJKEAE-LJQANCHMSA-N 2 0 323.440 2.710 20 0 DFADRP C[N@H+](CCCNC(=O)[C@@](C)([NH3+])c1ccccc1)C1CCCCC1 ZINC000237071228 202143202 /nfs/dbraw/zinc/14/32/02/202143202.db2.gz PZSIAAMZDHPCOD-IBGZPJMESA-N 2 0 317.477 2.631 20 0 DFADRP CCC[NH+](CCC)CCCC(=O)N(C)[C@@H]1CC[N@H+](C)C[C@H]1C ZINC000247553569 283208151 /nfs/dbraw/zinc/20/81/51/283208151.db2.gz YZJAWRLVFUQBHU-IAGOWNOFSA-N 2 0 311.514 2.687 20 0 DFADRP C[N@H+](CC1CC[NH2+]CC1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000237188024 202183599 /nfs/dbraw/zinc/18/35/99/202183599.db2.gz KLLQZACAYTURHT-LJQANCHMSA-N 2 0 301.478 2.582 20 0 DFADRP C[N@@H+]1CCN(C(=O)C[C@H]([NH3+])c2ccccc2)C2(CCCCC2)C1 ZINC000237192981 202181791 /nfs/dbraw/zinc/18/17/91/202181791.db2.gz XSIBCRCDYSORFI-KRWDZBQOSA-N 2 0 315.461 2.553 20 0 DFADRP C[NH2+]C[C@@H](C)C(=O)NCc1ccccc1C[NH+]1CCCCCC1 ZINC000237213747 202191675 /nfs/dbraw/zinc/19/16/75/202191675.db2.gz KMCCJUGDCAERCX-MRXNPFEDSA-N 2 0 317.477 2.534 20 0 DFADRP CC[NH+]1CCC([NH2+]C[C@@](C)(Cc2ccccc2)[C@H](C)O)CC1 ZINC000276895413 213161174 /nfs/dbraw/zinc/16/11/74/213161174.db2.gz MRLQUIHHWBAIHZ-QFBILLFUSA-N 2 0 304.478 2.690 20 0 DFADRP COC(=O)c1ccc(CNC[C@H](C)C[NH+]2CCCCC2)cc1 ZINC000237223492 202196097 /nfs/dbraw/zinc/19/60/97/202196097.db2.gz NRQHIEWBWDXLEK-HNNXBMFYSA-N 2 0 304.434 2.685 20 0 DFADRP CCCN(CC[NH+](CC)CC)C(=O)CC[C@@H]1CCCC[N@@H+]1C ZINC000356149990 283232327 /nfs/dbraw/zinc/23/23/27/283232327.db2.gz VKIGXBCQROGOIW-KRWDZBQOSA-N 2 0 311.514 2.831 20 0 DFADRP Cc1nn(C)cc1[C@H](C)[NH2+]CC1CCN(c2cc[nH+]cc2)CC1 ZINC000179470289 199041087 /nfs/dbraw/zinc/04/10/87/199041087.db2.gz FTSMNJGHGZOZMM-AWEZNQCLSA-N 2 0 313.449 2.691 20 0 DFADRP CCCc1ccc([C@@H](C)[NH2+]CC2CC[NH+](CCO)CC2)cc1 ZINC000151832466 283298099 /nfs/dbraw/zinc/29/80/99/283298099.db2.gz FYQANNYYGAIBRA-MRXNPFEDSA-N 2 0 304.478 2.994 20 0 DFADRP C[NH+](C)C[C@H]1CCN(Cc2c[nH]nc2-c2c(F)cccc2F)C1 ZINC000179632448 199067176 /nfs/dbraw/zinc/06/71/76/199067176.db2.gz DIQCMRVYPJEIFJ-GFCCVEGCSA-N 2 0 320.387 2.738 20 0 DFADRP c1ccc(CCC[NH+]2CCC(C[NH+]3CCOCC3)CC2)cc1 ZINC000051959714 398828279 /nfs/dbraw/zinc/82/82/79/398828279.db2.gz GJLPDVQCPPLUET-UHFFFAOYSA-N 2 0 302.462 2.663 20 0 DFADRP CC[C@@H]([NH2+]C1CCN(CC[NH+](C)C)CC1)c1ccccc1F ZINC000180077980 199114837 /nfs/dbraw/zinc/11/48/37/199114837.db2.gz SIDMWBBZLUCMHL-GOSISDBHSA-N 2 0 307.457 2.892 20 0 DFADRP CC[C@@H]([NH3+])C(=O)NCc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000130384516 398844442 /nfs/dbraw/zinc/84/44/42/398844442.db2.gz SUPXTRMMNWLVSC-GOSISDBHSA-N 2 0 317.477 2.805 20 0 DFADRP CC[C@H]([NH2+]C[C@H](C)CN1CC[NH+](C)CC1)c1ccccc1F ZINC000180439382 199159657 /nfs/dbraw/zinc/15/96/57/199159657.db2.gz XDQGDBVOGQYCOF-YJBOKZPZSA-N 2 0 307.457 2.750 20 0 DFADRP COc1ccc2c(c1)[C@@H]([NH2+][C@@H]1CN(C3CC3)C[C@H]1C)CCO2 ZINC000468019509 299275716 /nfs/dbraw/zinc/27/57/16/299275716.db2.gz IMZJYIALLVFKRS-OAUYIBNBSA-N 2 0 302.418 2.591 20 0 DFADRP COc1ccc(C[NH2+]CCCC[NH+]2C[C@@H](C)O[C@H](C)C2)cc1F ZINC000237346253 202239620 /nfs/dbraw/zinc/23/96/20/202239620.db2.gz MSSYNKJPAAVQTB-HUUCEWRRSA-N 2 0 324.440 2.813 20 0 DFADRP COc1ccc(C[NH2+]CCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1F ZINC000237346690 202240239 /nfs/dbraw/zinc/24/02/39/202240239.db2.gz MSSYNKJPAAVQTB-GASCZTMLSA-N 2 0 324.440 2.813 20 0 DFADRP C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC000468107391 299276365 /nfs/dbraw/zinc/27/63/65/299276365.db2.gz ZNLAUDGITTXZKA-NCOADZHNSA-N 2 0 323.525 2.589 20 0 DFADRP CC[NH+](CC)Cc1ccc(C[NH2+][C@H](C)[C@H]2C[C@H]2C(=O)OC)cc1 ZINC000594921840 398871841 /nfs/dbraw/zinc/87/18/41/398871841.db2.gz UPLPRVGJMBBYPO-ZTFGCOKTSA-N 2 0 318.461 2.816 20 0 DFADRP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NCC1([NH+](C)C)CCCCCC1 ZINC000468141408 299277179 /nfs/dbraw/zinc/27/71/79/299277179.db2.gz DGITYYGNSSTGRH-HZPDHXFCSA-N 2 0 309.498 2.630 20 0 DFADRP COC(=O)[C@@H]1C[C@@H]1[C@@H](C)[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000594935626 398875742 /nfs/dbraw/zinc/87/57/42/398875742.db2.gz GSAOADOEHDIRFT-KBRIMQKVSA-N 2 0 308.466 2.571 20 0 DFADRP CSCC1(CC[NH2+]Cc2ccnn2-c2cc[nH+]cc2)CC1 ZINC000594974261 398884683 /nfs/dbraw/zinc/88/46/83/398884683.db2.gz JWQWDBQGTFVUJQ-UHFFFAOYSA-N 2 0 302.447 2.890 20 0 DFADRP Cc1cccc(CCC[N@@H+](C)CC2CC[NH+](C[C@H](C)O)CC2)c1 ZINC000181097044 199251959 /nfs/dbraw/zinc/25/19/59/199251959.db2.gz YFTVCPKBZBHEQC-SFHVURJKSA-N 2 0 318.505 2.952 20 0 DFADRP CC[C@@H](C)[C@H]([NH3+])C(=O)NC[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000165898072 283382503 /nfs/dbraw/zinc/38/25/03/283382503.db2.gz KGINKHUPNQRKQA-NJAFHUGGSA-N 2 0 317.477 2.531 20 0 DFADRP CCO[C@@H](CC[NH+](C)C)C[NH2+]CCSCc1ccccc1 ZINC000280744297 215835370 /nfs/dbraw/zinc/83/53/70/215835370.db2.gz BAMLCGZPSKTOTG-KRWDZBQOSA-N 2 0 310.507 2.866 20 0 DFADRP COC(=O)c1ccc(CN(C)CC[C@H]2CCCC[N@@H+]2C)cc1 ZINC000173948604 283390956 /nfs/dbraw/zinc/39/09/56/283390956.db2.gz SKKDDVKWBBHVQR-QGZVFWFLSA-N 2 0 304.434 2.779 20 0 DFADRP C[C@H]([NH2+]C[C@H]1C[C@@H]1C)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000469111914 299284258 /nfs/dbraw/zinc/28/42/58/299284258.db2.gz UCBMORZSRSIBJN-SOUVJXGZSA-N 2 0 305.441 2.884 20 0 DFADRP C[C@H](CSCCF)[NH2+]CC1CC[NH+](C2CCOCC2)CC1 ZINC000595051884 398898212 /nfs/dbraw/zinc/89/82/12/398898212.db2.gz WNMLBMKXRSSAKF-CQSZACIVSA-N 2 0 318.502 2.558 20 0 DFADRP CCOC(=O)c1[nH]c(C)c(C[NH2+]CCC2CC[NH+](C)CC2)c1C ZINC000598962201 398898591 /nfs/dbraw/zinc/89/85/91/398898591.db2.gz DXGKQQSINIGEEC-UHFFFAOYSA-N 2 0 321.465 2.630 20 0 DFADRP CC(C)C1CCC([NH+]2CCN(C[C@@H]3CCC[NH2+]C3)CC2)CC1 ZINC000469972155 299290704 /nfs/dbraw/zinc/29/07/04/299290704.db2.gz JSLMEIMCMIZYCT-LMDPOFIKSA-N 2 0 307.526 2.818 20 0 DFADRP CCOC(=O)c1[nH]c(C)c(CNC2C[C@H]3CC[C@@H](C2)[N@H+]3C)c1C ZINC000598978699 398901859 /nfs/dbraw/zinc/90/18/59/398901859.db2.gz RFKLMFSMVCJEET-GOOCMWNKSA-N 2 0 319.449 2.523 20 0 DFADRP C[N@@H+]1CC[C@H]([NH2+][C@@H]2CC[C@H](C(=O)OC(C)(C)C)C2)CC1(C)C ZINC000598981095 398902381 /nfs/dbraw/zinc/90/23/81/398902381.db2.gz MCGUWPHBALLGPL-ZNMIVQPWSA-N 2 0 310.482 2.959 20 0 DFADRP CCOC(=O)c1[nH]c(C)c(C[NH2+]C[C@@H]2CCN2C(C)(C)C)c1C ZINC000598982691 398903173 /nfs/dbraw/zinc/90/31/73/398903173.db2.gz XWGADQJIEDLQLB-AWEZNQCLSA-N 2 0 321.465 2.771 20 0 DFADRP C[NH+]1CCC(O)(C[NH2+]Cc2ccc(-c3ccccc3)cc2)CC1 ZINC000077450121 398904549 /nfs/dbraw/zinc/90/45/49/398904549.db2.gz BCOQCGZKJRUTRN-UHFFFAOYSA-N 2 0 310.441 2.900 20 0 DFADRP [NH3+]Cc1cc(C(=O)NCC2([NH+]3CCCCC3)CCCCC2)co1 ZINC000187231523 200080908 /nfs/dbraw/zinc/08/09/08/200080908.db2.gz ODGOROILECVFDB-UHFFFAOYSA-N 2 0 319.449 2.657 20 0 DFADRP C[C@@H](Cc1ccccc1F)[NH2+]CC1CC[NH+](CCN(C)C)CC1 ZINC000187962393 200183950 /nfs/dbraw/zinc/18/39/50/200183950.db2.gz QGDAYKZQBSLUTA-INIZCTEOSA-N 2 0 321.484 2.620 20 0 DFADRP C[C@@H](CC(=O)NCCCC[N@@H+]1CCC[C@@H](C)C1)[C@@H]1CCC[NH2+]C1 ZINC000237536053 202275526 /nfs/dbraw/zinc/27/55/26/202275526.db2.gz NNBPLCVQEYLTON-FGTMMUONSA-N 2 0 323.525 2.641 20 0 DFADRP C[C@H]([NH2+]C[C@@H]1CCCC[N@H+](C)C1)c1ccc([S@@](C)=O)cc1 ZINC000599072024 398917056 /nfs/dbraw/zinc/91/70/56/398917056.db2.gz WVFJNWYIZFSDTL-VFCRVFHLSA-N 2 0 308.491 2.807 20 0 DFADRP CC[C@@H]([NH2+]CCN1CCC([NH+](C)C)CC1)c1cccc(F)c1 ZINC000188110059 200195220 /nfs/dbraw/zinc/19/52/20/200195220.db2.gz NIAMXEVHEQCLEI-GOSISDBHSA-N 2 0 307.457 2.892 20 0 DFADRP Cc1nccn1CC[N@H+]1CCN(c2cccc(F)c2)C[C@@H]1C ZINC000292388598 223041166 /nfs/dbraw/zinc/04/11/66/223041166.db2.gz SADGZHWPMJFOGZ-AWEZNQCLSA-N 2 0 302.397 2.541 20 0 DFADRP CCO[C@H](CC[NH+](C)C)C[NH2+]Cc1ccc(Cl)cc1F ZINC000189376632 200390410 /nfs/dbraw/zinc/39/04/10/200390410.db2.gz MCATYEPKHOVJIB-CQSZACIVSA-N 2 0 302.821 2.926 20 0 DFADRP C[C@@H]([NH2+]C[C@@H](O)C[NH+]1CCC(C)CC1)[C@@H]1C[C@H]1c1cccs1 ZINC000417317964 296009669 /nfs/dbraw/zinc/00/96/69/296009669.db2.gz XTASAHFVZWUFPP-WCXIOVBPSA-N 2 0 322.518 2.923 20 0 DFADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NCC1([NH+](C)C)CC1 ZINC000417386997 296015673 /nfs/dbraw/zinc/01/56/73/296015673.db2.gz TVZQSUJLTYIXTM-AEFFLSMTSA-N 2 0 301.478 2.581 20 0 DFADRP CC[NH+](CC)CCC[N@@H+]1CC[C@H](C(=O)N(C)c2ccccc2)C1 ZINC000281251066 216186084 /nfs/dbraw/zinc/18/60/84/216186084.db2.gz UZHRRCOCGZKDPR-KRWDZBQOSA-N 2 0 317.477 2.703 20 0 DFADRP [NH3+]C[C@H](Cc1ccccc1)[C@H]1CCCC[N@@H+]1C[C@H]1CCOC1 ZINC000471872717 299311765 /nfs/dbraw/zinc/31/17/65/299311765.db2.gz RALMXKHWTURQFE-CEXWTWQISA-N 2 0 302.462 2.695 20 0 DFADRP CC1CC[NH+](Cc2ccc(NC(=O)C[NH2+]C3CC3)cc2)CC1 ZINC000154622967 398942422 /nfs/dbraw/zinc/94/24/22/398942422.db2.gz UKYQZDACMXLDEH-UHFFFAOYSA-N 2 0 301.434 2.609 20 0 DFADRP COC(=O)CCCC[NH+]1CCC(C[NH+]2CCCCCC2)CC1 ZINC000599267559 398944742 /nfs/dbraw/zinc/94/47/42/398944742.db2.gz PDUPULMGZYNNSR-UHFFFAOYSA-N 2 0 310.482 2.918 20 0 DFADRP CC[NH+](CC)Cc1cccc(CNC(=O)[C@H]2CCCC[N@@H+]2C)c1 ZINC000599322739 398954370 /nfs/dbraw/zinc/95/43/70/398954370.db2.gz JCGXRVZVMFJOHO-GOSISDBHSA-N 2 0 317.477 2.629 20 0 DFADRP CC[NH+](CC)CCCNC(=O)c1ccc(C[NH+]2CCCC2)cc1 ZINC000078480530 398960203 /nfs/dbraw/zinc/96/02/03/398960203.db2.gz FQJNFMCJLINYGY-UHFFFAOYSA-N 2 0 317.477 2.744 20 0 DFADRP COC(=O)C1CCC([NH2+]Cc2cccc(C[NH+](C)C)c2)CC1 ZINC000192438517 200874791 /nfs/dbraw/zinc/87/47/91/200874791.db2.gz LIWNCAYXRHIGOH-UHFFFAOYSA-N 2 0 304.434 2.570 20 0 DFADRP CCOC(=O)[C@@H](C)N1CCC(Cc2nc3ccccc3[nH]2)CC1 ZINC000595552226 398967375 /nfs/dbraw/zinc/96/73/75/398967375.db2.gz QPBRQCIBYYVWGS-CYBMUJFWSA-N 2 0 315.417 2.769 20 0 DFADRP C[C@H]([NH3+])CCC(=O)NCc1ccccc1C[NH+]1CCC(C)CC1 ZINC000193295617 201023548 /nfs/dbraw/zinc/02/35/48/201023548.db2.gz RZUVKAHYUJELFH-INIZCTEOSA-N 2 0 317.477 2.662 20 0 DFADRP Cc1c(C[NH+]2CCSCC2)cccc1NC(=O)CC[C@H](C)[NH3+] ZINC000193307658 201025459 /nfs/dbraw/zinc/02/54/59/201025459.db2.gz XUXIOJTYOUFOKJ-ZDUSSCGKSA-N 2 0 321.490 2.610 20 0 DFADRP C[NH+](C)CCC1CC[NH+](C[C@H](O)c2c(F)cccc2F)CC1 ZINC000056522071 398976101 /nfs/dbraw/zinc/97/61/01/398976101.db2.gz SPXFZTLMITZZJR-INIZCTEOSA-N 2 0 312.404 2.662 20 0 DFADRP COc1cc(C[N@H+](C)CC2CC[NH+](C[C@@H](C)O)CC2)ccc1C ZINC000193903419 201142471 /nfs/dbraw/zinc/14/24/71/201142471.db2.gz ZVOZMGKMFLVMEN-MRXNPFEDSA-N 2 0 320.477 2.528 20 0 DFADRP Cc1nccnc1CC[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000292873733 223286231 /nfs/dbraw/zinc/28/62/31/223286231.db2.gz BOXAUEVRTWCVIL-UHFFFAOYSA-N 2 0 324.472 2.624 20 0 DFADRP C[C@@H]([NH3+])[C@@H]1CCCCN1C(=O)NCCCCC[NH+]1CCCCC1 ZINC000417720222 296043841 /nfs/dbraw/zinc/04/38/41/296043841.db2.gz XKSVSCZQDRKCHH-SJORKVTESA-N 2 0 324.513 2.554 20 0 DFADRP C[C@@H]([NH3+])[C@H]1CCCCN1C(=O)NCCCCC[NH+]1CCCCC1 ZINC000417720217 296043894 /nfs/dbraw/zinc/04/38/94/296043894.db2.gz XKSVSCZQDRKCHH-IAGOWNOFSA-N 2 0 324.513 2.554 20 0 DFADRP C[C@@H](C[NH2+]CC1CC[NH+](CCN(C)C)CC1)c1ccccc1 ZINC000194421512 201223535 /nfs/dbraw/zinc/22/35/35/201223535.db2.gz DYZYYQZHJKBXEP-KRWDZBQOSA-N 2 0 303.494 2.653 20 0 DFADRP [NH3+]Cc1ccc(C(=O)NCc2ccccc2C[NH+]2CCCC2)cc1 ZINC000195139038 201345919 /nfs/dbraw/zinc/34/59/19/201345919.db2.gz IPRICXXENAADPF-UHFFFAOYSA-N 2 0 323.440 2.671 20 0 DFADRP CC[NH+]1CCN(CCC[NH2+]Cc2ccc(C)c(Cl)c2)CC1 ZINC000195437147 201389607 /nfs/dbraw/zinc/38/96/07/201389607.db2.gz DYXYDWFENSTXOV-UHFFFAOYSA-N 2 0 309.885 2.766 20 0 DFADRP Cc1ccc(C[NH2+]CCCC[N@@H+]2CCC[C@H]2CO)cc1Cl ZINC000195442567 201391643 /nfs/dbraw/zinc/39/16/43/201391643.db2.gz NYPCRCGLTUPVAG-INIZCTEOSA-N 2 0 310.869 2.975 20 0 DFADRP C[C@H](CCCC[NH3+])NC(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000417809386 296053380 /nfs/dbraw/zinc/05/33/80/296053380.db2.gz MPKWIHXNVHPVLR-OAHLLOKOSA-N 2 0 324.513 2.600 20 0 DFADRP CC(C)[C@@H]([NH3+])CCN(C)C(=O)C(C)(C)[C@H]([NH3+])c1ccccc1 ZINC000417812358 296053928 /nfs/dbraw/zinc/05/39/28/296053928.db2.gz LEIDLRJNJJYIBJ-JKSUJKDBSA-N 2 0 305.466 2.544 20 0 DFADRP CC[NH+]1CCN(CCC[NH2+][C@@H](c2ccc(F)cc2)C2CC2)CC1 ZINC000271842426 209260052 /nfs/dbraw/zinc/26/00/52/209260052.db2.gz KYTFZELGQJTTQA-LJQANCHMSA-N 2 0 319.468 2.894 20 0 DFADRP CCc1cccc(F)c1C[NH2+]C[C@H](C)CN1CC[NH+](CC)CC1 ZINC000474734782 299338722 /nfs/dbraw/zinc/33/87/22/299338722.db2.gz JHOFNVVKEQQFFJ-INIZCTEOSA-N 2 0 321.484 2.751 20 0 DFADRP [NH3+]CCC[C@H](NC(=O)C[C@H]([NH3+])c1ccccc1)c1ccccc1 ZINC000417844420 296057194 /nfs/dbraw/zinc/05/71/94/296057194.db2.gz WQAJECHTNLXCKS-ROUUACIJSA-N 2 0 311.429 2.673 20 0 DFADRP CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)CC[C@@H]2CCC[NH2+]C2)C1 ZINC000621648520 399007255 /nfs/dbraw/zinc/00/72/55/399007255.db2.gz WWVATLBZUODHRT-IRXDYDNUSA-N 2 0 323.525 2.783 20 0 DFADRP CO[C@@H]1CC[C@@H]([NH2+][C@@H](C)c2cccc(OCC[NH+](C)C)c2)C1 ZINC000249063240 283765693 /nfs/dbraw/zinc/76/56/93/283765693.db2.gz PZGQHVQFRBDEEC-USXIJHARSA-N 2 0 306.450 2.845 20 0 DFADRP Cn1c2ccccc2nc1CC[N@@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000292939202 223318386 /nfs/dbraw/zinc/31/83/86/223318386.db2.gz JTYPPUITNLOUDZ-IBGZPJMESA-N 2 0 312.461 2.534 20 0 DFADRP CC[NH+]1CCC(CC[NH2+]Cc2ccccc2C(=O)N(C)C)CC1 ZINC000417946981 296065510 /nfs/dbraw/zinc/06/55/10/296065510.db2.gz SRVJFRJBZLQCJJ-UHFFFAOYSA-N 2 0 317.477 2.600 20 0 DFADRP C[N@H+]1CC=C(C[NH2+]Cc2ccc(F)cc2Br)CC1 ZINC000271809410 209234305 /nfs/dbraw/zinc/23/43/05/209234305.db2.gz KPUJIJDEWVHXKX-UHFFFAOYSA-N 2 0 313.214 2.940 20 0 DFADRP COc1cc(C[NH2+]CC2=CC[N@H+](C)CC2)c(SC)cc1OC ZINC000271804267 209230180 /nfs/dbraw/zinc/23/01/80/209230180.db2.gz JOYGFMAJKFUTJE-UHFFFAOYSA-N 2 0 322.474 2.777 20 0 DFADRP CC[NH+]1CCN([C@@H](C)C[NH2+][C@@H](c2ccccc2)C(C)C)CC1 ZINC000091285547 193032180 /nfs/dbraw/zinc/03/21/80/193032180.db2.gz QBSZNRRVQOQYJK-PKOBYXMFSA-N 2 0 303.494 2.999 20 0 DFADRP C[C@H](Cc1ccc(Cl)cc1)[NH2+]CCCN1CCC[N@H+](C)CC1 ZINC000091333633 193041384 /nfs/dbraw/zinc/04/13/84/193041384.db2.gz ISULIQRDGFSNPQ-MRXNPFEDSA-N 2 0 323.912 2.888 20 0 DFADRP Cc1ccc([C@H]([NH2+]C[C@@H](C)N2CC[NH+](C)CC2)C2CC2)cc1 ZINC000091333350 193041771 /nfs/dbraw/zinc/04/17/71/193041771.db2.gz GQHJXBLWHRNDIC-APWZRJJASA-N 2 0 301.478 2.672 20 0 DFADRP CC[C@H](C)[NH2+][C@H](CNC(=O)NCC([NH3+])(CC)CC)c1ccco1 ZINC000418158868 296080845 /nfs/dbraw/zinc/08/08/45/296080845.db2.gz BSNXJIPDKIKNNW-UONOGXRCSA-N 2 0 324.469 2.526 20 0 DFADRP [NH3+]CCCN(CC1CCCC1)C(=O)NCC1([NH3+])CCCCCC1 ZINC000418282225 296083889 /nfs/dbraw/zinc/08/38/89/296083889.db2.gz GKWSOOYJLYAZOW-UHFFFAOYSA-N 2 0 324.513 2.589 20 0 DFADRP CC(C)c1ccc([C@H]([NH3+])CNC(=O)N[C@@H](C)CCCC[NH3+])cc1 ZINC000418352570 296087680 /nfs/dbraw/zinc/08/76/80/296087680.db2.gz MTCBLMBCRUICBX-WMLDXEAASA-N 2 0 320.481 2.627 20 0 DFADRP CCN(Cc1ccc(C[NH+](C)C)cc1)[C@H](C(=O)OC)C1CC1 ZINC000599659145 399048740 /nfs/dbraw/zinc/04/87/40/399048740.db2.gz DBPNHNRCQVZMGA-KRWDZBQOSA-N 2 0 304.434 2.522 20 0 DFADRP CC[NH+](CC)Cc1ccc(C(=O)NC[C@@H]2CCCC[N@@H+]2CC)o1 ZINC000600445587 399054086 /nfs/dbraw/zinc/05/40/86/399054086.db2.gz RIIVULZDQORSID-HNNXBMFYSA-N 2 0 321.465 2.726 20 0 DFADRP CC[N@H+](C)[C@H](C(=O)NCC1([NH+](C)C)CCCC1)c1ccccc1 ZINC000057833247 399065881 /nfs/dbraw/zinc/06/58/81/399065881.db2.gz CVHHKCRMBNPBHN-KRWDZBQOSA-N 2 0 317.477 2.670 20 0 DFADRP CC(=O)N1CC[C@H]([NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)c2ccccc21 ZINC000621749883 399066086 /nfs/dbraw/zinc/06/60/86/399066086.db2.gz DRGWTBWUJDKMTI-YJBOKZPZSA-N 2 0 313.445 2.558 20 0 DFADRP CC(=O)N1CC[C@@H]([NH2+]CCC2CC[NH+](C)CC2)c2ccccc21 ZINC000621751299 399066346 /nfs/dbraw/zinc/06/63/46/399066346.db2.gz DAXRNHGFQQDZNO-GOSISDBHSA-N 2 0 315.461 2.806 20 0 DFADRP CC(=O)N1CC[C@@H]([NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)c2ccccc21 ZINC000621749881 399066426 /nfs/dbraw/zinc/06/64/26/399066426.db2.gz DRGWTBWUJDKMTI-MAUKXSAKSA-N 2 0 313.445 2.558 20 0 DFADRP CC(C)CC[NH+]1CCC(CNC(=O)CCCC[NH+](C)C)CC1 ZINC000079656893 399072931 /nfs/dbraw/zinc/07/29/31/399072931.db2.gz GJIRXMDYHQTVQD-UHFFFAOYSA-N 2 0 311.514 2.593 20 0 DFADRP CCC[N@H+](CC)Cc1ccc(C(=O)N[C@H]2C[NH2+]CC[C@H]2C)cc1 ZINC000275188061 212183222 /nfs/dbraw/zinc/18/32/22/212183222.db2.gz YRBZZTLVZHVISI-QAPCUYQASA-N 2 0 317.477 2.646 20 0 DFADRP C[C@H]1C[NH+](CC2CC[NH+](CCOCC3CCC3)CC2)C[C@H](C)O1 ZINC000419192538 296127263 /nfs/dbraw/zinc/12/72/63/296127263.db2.gz PBXBZGARHZNTFG-IRXDYDNUSA-N 2 0 324.509 2.624 20 0 DFADRP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)C[C@@H]2CCCC(F)(F)C2)CC1 ZINC000338272634 284097288 /nfs/dbraw/zinc/09/72/88/284097288.db2.gz CQCIXLANFYUDBO-GDBMZVCRSA-N 2 0 318.452 2.837 20 0 DFADRP CC[NH+]1CCC(NC(=O)C[N@H+](C)[C@H]2CCC[C@H]2C(C)(C)C)CC1 ZINC000419327193 296134819 /nfs/dbraw/zinc/13/48/19/296134819.db2.gz NIPIJINDBXUYAG-SJORKVTESA-N 2 0 323.525 2.734 20 0 DFADRP CC[NH+](CC)Cc1ccccc1CNC(=O)CC[C@@H]1CCC[NH2+]1 ZINC000261903839 203149437 /nfs/dbraw/zinc/14/94/37/203149437.db2.gz PFBCVNAJBBHMOX-SFHVURJKSA-N 2 0 317.477 2.677 20 0 DFADRP C[N@@H+](Cc1cccc2c1OCCCO2)CC1CC[NH+](C)CC1 ZINC000093088633 193201505 /nfs/dbraw/zinc/20/15/05/193201505.db2.gz IZAFXPUEMSQBHI-UHFFFAOYSA-N 2 0 304.434 2.622 20 0 DFADRP C[C@H]1C[N@H+](CC2(C[NH+]3C[C@@H](C)[C@@H](C)[C@@H]3C)COC2)[C@@H](C)[C@H]1C ZINC000419375254 296137791 /nfs/dbraw/zinc/13/77/91/296137791.db2.gz RGBJFOGAWHUZMQ-RFSXOUPVSA-N 2 0 308.510 2.956 20 0 DFADRP CCC[C@H]([NH3+])C(=O)Nc1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000262165846 203215959 /nfs/dbraw/zinc/21/59/59/203215959.db2.gz WCZYGMDGVACBEH-YOEHRIQHSA-N 2 0 303.450 2.984 20 0 DFADRP Cc1ncccc1OC[C@@H]1CCC[NH+]1CC[C@H]1CCC[N@H+]1C ZINC000419384640 296138522 /nfs/dbraw/zinc/13/85/22/296138522.db2.gz GQMMJIMGQFPSCE-SJORKVTESA-N 2 0 303.450 2.718 20 0 DFADRP CCC[C@](C)([NH3+])C(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000262314838 203259027 /nfs/dbraw/zinc/25/90/27/203259027.db2.gz PACFBRGSHPANPV-BBRMVZONSA-N 2 0 309.479 2.519 20 0 DFADRP CC[NH+](CC)[C@H](CNC(=O)[C@H]1CC[NH2+][C@@H](C)C1)c1ccsc1 ZINC000262318693 203259714 /nfs/dbraw/zinc/25/97/14/203259714.db2.gz CHPAROBJNAOCEP-OFQRWUPVSA-N 2 0 323.506 2.635 20 0 DFADRP C[C@H]([NH2+]Cc1ccc(OCCC[NH+](C)C)cc1)[C@H]1CCCO1 ZINC000340195648 284158001 /nfs/dbraw/zinc/15/80/01/284158001.db2.gz VGDQNLYQFGCJPQ-MAUKXSAKSA-N 2 0 306.450 2.674 20 0 DFADRP CCC[NH+](CCC)CCCNC(=O)[C@@H]([NH3+])c1ccc(C)cc1 ZINC000262627672 203356824 /nfs/dbraw/zinc/35/68/24/203356824.db2.gz GIVVCPGBKSWLTA-KRWDZBQOSA-N 2 0 305.466 2.623 20 0 DFADRP CCC[C@](C)([NH3+])C(=O)NCC(C)(C)[NH2+][C@H](C)c1ccccc1 ZINC000262690865 203381743 /nfs/dbraw/zinc/38/17/43/203381743.db2.gz AJWCGUWPJVKVPZ-KDOFPFPSSA-N 2 0 305.466 2.750 20 0 DFADRP CCC[C@@](C)([NH3+])C(=O)NCc1ccccc1C[N@H+](C)C(C)C ZINC000262711651 203388864 /nfs/dbraw/zinc/38/88/64/203388864.db2.gz QTKHLNOFWPTIIS-GOSISDBHSA-N 2 0 305.466 2.661 20 0 DFADRP CCOC(=O)CCCCC[N@@H+]1CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000600725338 399125166 /nfs/dbraw/zinc/12/51/66/399125166.db2.gz JAWUGWLQFFNPTI-QWHCGFSZSA-N 2 0 324.387 2.569 20 0 DFADRP CC[NH+](CC)CCN(Cc1cccs1)C(=O)CC[C@H](C)[NH3+] ZINC000262761252 203399726 /nfs/dbraw/zinc/39/97/26/203399726.db2.gz IMLALGZCRGQNSV-AWEZNQCLSA-N 2 0 311.495 2.546 20 0 DFADRP C[C@@H]1C[NH+](CCC2CC[NH+](CC3=CCCOC3)CC2)C[C@@H](C)O1 ZINC000093844414 193318019 /nfs/dbraw/zinc/31/80/19/193318019.db2.gz FXQQLFLPSUCJBG-IAGOWNOFSA-N 2 0 322.493 2.544 20 0 DFADRP C[C@H]([NH2+][C@H]1CC[C@H](O)CC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000274925763 212038451 /nfs/dbraw/zinc/03/84/51/212038451.db2.gz PUAXHTIDCGBMRS-WNHJNPCNSA-N 2 0 302.462 2.790 20 0 DFADRP COC(=O)c1ccc(C[N@@H+]2CCC[C@@H](C)[C@H]2CCC[NH3+])cc1 ZINC000595912185 399133696 /nfs/dbraw/zinc/13/36/96/399133696.db2.gz ZBSHTXAVKBTABY-RHSMWYFYSA-N 2 0 304.434 2.813 20 0 DFADRP CC[NH+]1CCN(CCCC[NH2+][C@@H](C)c2ccc(Cl)cn2)CC1 ZINC000274907603 212024911 /nfs/dbraw/zinc/02/49/11/212024911.db2.gz MLRABLWOUPZXMH-HNNXBMFYSA-N 2 0 324.900 2.803 20 0 DFADRP CCOc1cc2[nH+]ccc(NCC[C@H](C)[NH3+])c2cc1OCC ZINC000420161131 296159763 /nfs/dbraw/zinc/15/97/63/296159763.db2.gz VPJXWHBCRWKCGD-LBPRGKRZSA-N 2 0 303.406 2.603 20 0 DFADRP CN(CCCC[NH+](C)C)C(=O)c1cccc(C[NH+]2CCCC2)c1 ZINC000607034466 399136619 /nfs/dbraw/zinc/13/66/19/399136619.db2.gz APJAYLDALGINBV-UHFFFAOYSA-N 2 0 317.477 2.696 20 0 DFADRP CCOc1cc2[nH+]ccc(NCC(C)(C)[NH3+])c2cc1OCC ZINC000420196737 296161789 /nfs/dbraw/zinc/16/17/89/296161789.db2.gz JCXLBHIQDXBVEY-UHFFFAOYSA-N 2 0 303.406 2.603 20 0 DFADRP Cc1cc(NC[C@H]2CC[NH2+]C2)c2cc(OC(F)F)ccc2[nH+]1 ZINC000420229311 296163945 /nfs/dbraw/zinc/16/39/45/296163945.db2.gz NPUZGMJCZFLPHD-NSHDSACASA-N 2 0 307.344 2.588 20 0 DFADRP CCOC(=O)c1cnc2ccccc2c1N1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000420233503 296164521 /nfs/dbraw/zinc/16/45/21/296164521.db2.gz MRJGKLPBMZMYBK-QWHCGFSZSA-N 2 0 313.401 2.585 20 0 DFADRP COCC1(CNc2cc(C)[nH+]c3ccc(F)cc23)CC[NH2+]CC1 ZINC000420247415 296165409 /nfs/dbraw/zinc/16/54/09/296165409.db2.gz ULIAZVFGZMLFAK-UHFFFAOYSA-N 2 0 317.408 2.532 20 0 DFADRP COc1cc2c(cc1F)[nH+]ccc2N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000420253521 296165837 /nfs/dbraw/zinc/16/58/37/296165837.db2.gz BDXOIUBOYTVHBU-SMDDNHRTSA-N 2 0 301.365 2.571 20 0 DFADRP CCc1c(C)[nH+]c2ccccc2c1N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000420252456 296165843 /nfs/dbraw/zinc/16/58/43/296165843.db2.gz BCCOGCIJTNRILO-INIZCTEOSA-N 2 0 324.472 2.590 20 0 DFADRP COc1cc2c(cc1F)[nH+]ccc2N1CC[C@H](C)C[C@@H]1C[NH3+] ZINC000420260614 296166715 /nfs/dbraw/zinc/16/67/15/296166715.db2.gz NVAXQDMGKIAJHP-NWDGAFQWSA-N 2 0 303.381 2.946 20 0 DFADRP CN(c1ccnc2c(Br)ccc(F)c12)C1C[NH2+]C1 ZINC000420269790 296167644 /nfs/dbraw/zinc/16/76/44/296167644.db2.gz YMELWGMWUVVSSL-UHFFFAOYSA-N 2 0 310.170 2.544 20 0 DFADRP C[NH2+]C[C@@H]1CCCN(Cc2ccc3oc(C(=O)OC)cc3c2)C1 ZINC000420278564 296168666 /nfs/dbraw/zinc/16/86/66/296168666.db2.gz VTSJERBCSITVSF-AWEZNQCLSA-N 2 0 316.401 2.651 20 0 DFADRP COc1cc[nH+]c(N2CCN(c3cc[nH+]c4ccccc43)CC2)c1 ZINC000264794324 204161129 /nfs/dbraw/zinc/16/11/29/204161129.db2.gz SXCUMUIYGUVWQI-UHFFFAOYSA-N 2 0 320.396 2.965 20 0 DFADRP Cc1[nH]c2ccccc2c1C(=O)CN(C)CC[C@H]([NH3+])C(C)C ZINC000420290005 296169857 /nfs/dbraw/zinc/16/98/57/296169857.db2.gz LDKCQHKNIGVCMP-HNNXBMFYSA-N 2 0 301.434 2.964 20 0 DFADRP C[C@@H]([NH3+])[C@@H]1CCCN(Cc2ccn(-c3c(F)cccc3F)n2)C1 ZINC000420291860 296170054 /nfs/dbraw/zinc/17/00/54/296170054.db2.gz ODORFUBTCOARLA-CHWSQXEVSA-N 2 0 320.387 2.710 20 0 DFADRP CCCCCC(=O)NC1CC[NH+](CC[C@H]2CCC[NH2+]C2)CC1 ZINC000420295721 296170553 /nfs/dbraw/zinc/17/05/53/296170553.db2.gz CMTHJWPIAWPTMS-MRXNPFEDSA-N 2 0 309.498 2.537 20 0 DFADRP CCc1ccccc1NC(=O)[C@H](C)[NH+]1CCC(CC[NH2+]C)CC1 ZINC000420300234 296171240 /nfs/dbraw/zinc/17/12/40/296171240.db2.gz CCNLXZHVIDWCKK-HNNXBMFYSA-N 2 0 317.477 2.898 20 0 DFADRP C[C@@H]1C[N@H+](CC[C@H]2CCC[NH2+]C2)C[C@@H](c2ccc(F)cc2)O1 ZINC000420297181 296170731 /nfs/dbraw/zinc/17/07/31/296170731.db2.gz FRUPGCDTFINWRE-RKVPGOIHSA-N 2 0 306.425 2.977 20 0 DFADRP COc1ccccc1C[N@H+](CC[C@H]1CC[NH2+]C1)C[C@@H]1CCCO1 ZINC000420297427 296170925 /nfs/dbraw/zinc/17/09/25/296170925.db2.gz DITSJFGLNVVWOF-AEFFLSMTSA-N 2 0 318.461 2.676 20 0 DFADRP C[NH2+]CC1CC[NH+]([C@@H](C)C(=O)Nc2cccc(C)c2C)CC1 ZINC000420297208 296171099 /nfs/dbraw/zinc/17/10/99/296171099.db2.gz RDDJJEUCJSVGKM-HNNXBMFYSA-N 2 0 303.450 2.562 20 0 DFADRP [NH3+][C@@H](Cc1ccccc1)[C@@H](O)C[N@@H+]1CCCC2(CCCCC2)C1 ZINC000420299520 296171185 /nfs/dbraw/zinc/17/11/85/296171185.db2.gz IWPADWHWTLSZGC-OALUTQOASA-N 2 0 316.489 2.964 20 0 DFADRP CC[N@H+](CCN1CC[NH2+]CC1)Cc1ccc(Cl)c(Cl)c1 ZINC000420301678 296171659 /nfs/dbraw/zinc/17/16/59/296171659.db2.gz ITFOJQIZBQMMJW-UHFFFAOYSA-N 2 0 316.276 2.721 20 0 DFADRP CC[N@H+](CCc1cccs1)C[C@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC000420300454 296171464 /nfs/dbraw/zinc/17/14/64/296171464.db2.gz HLOQFQWZSDPQIN-ROUUACIJSA-N 2 0 318.486 2.543 20 0 DFADRP CCc1ccccc1NC(=O)C[N@H+](C)CC[C@H]1CCC[NH2+]C1 ZINC000420301733 296171601 /nfs/dbraw/zinc/17/16/01/296171601.db2.gz IYWCQAFGKGCDCD-OAHLLOKOSA-N 2 0 303.450 2.509 20 0 DFADRP CC[N@@H+]1CC[C@H](N(C)C[C@H](C[NH3+])c2ccc(OC)cc2)C[C@H]1C ZINC000420308052 296172778 /nfs/dbraw/zinc/17/27/78/296172778.db2.gz CISWWIGHPFFAFP-NJAFHUGGSA-N 2 0 319.493 2.542 20 0 DFADRP C[C@H]([NH3+])CN1CC[NH+](CCC23CC4CC(CC(C4)C2)C3)CC1 ZINC000420307909 296172914 /nfs/dbraw/zinc/17/29/14/296172914.db2.gz CEJRPYCOSTTXDX-OPRRPXDXSA-N 2 0 305.510 2.558 20 0 DFADRP Clc1ccccc1[C@H]1C[NH2+]CCN1CC[C@@H]1CCC[NH2+]C1 ZINC000420303201 296172334 /nfs/dbraw/zinc/17/23/34/296172334.db2.gz CGPUQTWEFOCEKB-WMLDXEAASA-N 2 0 307.869 2.676 20 0 DFADRP CC[NH+](CC)CCCN(Cc1ccccn1)[C@@H]1CCC[NH2+]CC1 ZINC000420305952 296172509 /nfs/dbraw/zinc/17/25/09/296172509.db2.gz HBOOEWZDELDALQ-LJQANCHMSA-N 2 0 318.509 2.758 20 0 DFADRP Cn1cc([C@@H](c2cccc(F)c2)[N@H+](C)CC[C@H]2CC[NH2+]C2)cn1 ZINC000420306208 296172618 /nfs/dbraw/zinc/17/26/18/296172618.db2.gz ACMDCBQHDVHJIA-RDTXWAMCSA-N 2 0 316.424 2.580 20 0 DFADRP Cc1c(Br)cccc1CN1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000420309349 296173061 /nfs/dbraw/zinc/17/30/61/296173061.db2.gz FDTPUBSZULCPDH-DZGCQCFKSA-N 2 0 309.251 2.941 20 0 DFADRP Cc1cccc(NC[C@H]2CC[N@H+](CC[C@H]3CCC[NH2+]C3)C2)n1 ZINC000420319799 296174385 /nfs/dbraw/zinc/17/43/85/296174385.db2.gz PMXNHXQHONXVKE-IAGOWNOFSA-N 2 0 302.466 2.514 20 0 DFADRP CC1CC[NH+](C[C@@H]2CCC[N@H+](CC[C@H]3CCC[NH2+]C3)C2)CC1 ZINC000420318696 296174395 /nfs/dbraw/zinc/17/43/95/296174395.db2.gz OKELVEGNRQRVOR-RTBURBONSA-N 3 0 307.526 2.820 20 0 DFADRP Cc1cccc(NC[C@H]2CC[N@H+](CC[C@@H]3CCC[NH2+]C3)C2)n1 ZINC000420319798 296174459 /nfs/dbraw/zinc/17/44/59/296174459.db2.gz PMXNHXQHONXVKE-DLBZAZTESA-N 2 0 302.466 2.514 20 0 DFADRP c1ccc(COCCC[NH+]2CCC([C@H]3CC[NH2+]C3)CC2)cc1 ZINC000420318186 296174520 /nfs/dbraw/zinc/17/45/20/296174520.db2.gz PTSDZHFJWGYRMG-IBGZPJMESA-N 2 0 302.462 2.915 20 0 DFADRP COc1c(C)cnc(C[N@@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)c1C ZINC000420319387 296174595 /nfs/dbraw/zinc/17/45/95/296174595.db2.gz ABFNLFOBIQVIBZ-CVEARBPZSA-N 2 0 303.450 2.529 20 0 DFADRP c1ccc(COCCC[N@@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)cc1 ZINC000420321612 296174752 /nfs/dbraw/zinc/17/47/52/296174752.db2.gz DATHCDJWEDKJBK-OALUTQOASA-N 2 0 302.462 2.915 20 0 DFADRP CCCCc1noc([C@H](C)[N@@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)n1 ZINC000420325111 296175164 /nfs/dbraw/zinc/17/51/64/296175164.db2.gz IBNWHUWUTVFWJZ-RRFJBIMHSA-N 2 0 306.454 2.795 20 0 DFADRP CC(C)[N@H+](CCC[NH3+])C[C@@H](O)COc1cccc2ccccc21 ZINC000420327294 296175653 /nfs/dbraw/zinc/17/56/53/296175653.db2.gz YEEYDLMLZQQRGQ-QGZVFWFLSA-N 2 0 316.445 2.639 20 0 DFADRP COc1cccc(CCC[N@@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)c1 ZINC000420326674 296175659 /nfs/dbraw/zinc/17/56/59/296175659.db2.gz KFDZMLDJCFEREZ-ROUUACIJSA-N 2 0 302.462 2.949 20 0 DFADRP COc1cccc(CCC[N@@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)c1 ZINC000420326672 296175785 /nfs/dbraw/zinc/17/57/85/296175785.db2.gz KFDZMLDJCFEREZ-MSOLQXFVSA-N 2 0 302.462 2.949 20 0 DFADRP c1ccc(CCOCCC[N@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)cc1 ZINC000420329445 296175988 /nfs/dbraw/zinc/17/59/88/296175988.db2.gz GWICGPHZFJCFFT-KDURUIRLSA-N 2 0 302.462 2.567 20 0 DFADRP Cc1ccccc1CCC[N@@H+]1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000420335995 296177152 /nfs/dbraw/zinc/17/71/52/296177152.db2.gz VHZAFEIYOWYVKY-SFHVURJKSA-N 2 0 302.462 2.615 20 0 DFADRP CC(=O)c1ccccc1OCC[N@@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420339453 296177383 /nfs/dbraw/zinc/17/73/83/296177383.db2.gz LSKSMVVRMDVRBK-IAGOWNOFSA-N 2 0 316.445 2.590 20 0 DFADRP CCc1cccc(OCC[N@@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)c1 ZINC000420332709 296176730 /nfs/dbraw/zinc/17/67/30/296176730.db2.gz DROGVJRBDASVAM-MSOLQXFVSA-N 2 0 302.462 2.949 20 0 DFADRP C[C@@H](C(=O)N(C)c1ccccc1)[NH+]1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000420333727 296176770 /nfs/dbraw/zinc/17/67/70/296176770.db2.gz FPRJFBWGJQQMRB-YJBOKZPZSA-N 2 0 315.461 2.502 20 0 DFADRP c1cnc2sc(C[N@@H+]3CCC[C@@H]([C@@H]4CC[NH2+]C4)C3)nc2c1 ZINC000420337752 296177040 /nfs/dbraw/zinc/17/70/40/296177040.db2.gz XAGJPXULADCIMI-CHWSQXEVSA-N 2 0 302.447 2.513 20 0 DFADRP C[N@H+](Cc1cc(Br)cc2cccnc21)C1CC([NH3+])C1 ZINC000420344915 296178127 /nfs/dbraw/zinc/17/81/27/296178127.db2.gz YUFSSLAWGCZMFI-UHFFFAOYSA-N 2 0 320.234 2.919 20 0 DFADRP CCc1ccccc1NC(=O)C[N@@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000420343850 296177675 /nfs/dbraw/zinc/17/76/75/296177675.db2.gz ROWFWVOIFGCKSI-IRXDYDNUSA-N 2 0 315.461 2.509 20 0 DFADRP CCn1c2cccc(F)c2nc1C[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000420346384 296178331 /nfs/dbraw/zinc/17/83/31/296178331.db2.gz WTAFNCGPGWJIPC-OKILXGFUSA-N 2 0 316.424 2.627 20 0 DFADRP CCc1cccc(NC(=O)C[N@@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)c1 ZINC000420346581 296178388 /nfs/dbraw/zinc/17/83/88/296178388.db2.gz YTYMQXKAOPOWBS-SJORKVTESA-N 2 0 315.461 2.509 20 0 DFADRP O=C(CC[N@@H+]1CCC[C@]2(CC[NH2+]C2)C1)Nc1ccc(Cl)cc1 ZINC000420355879 296179202 /nfs/dbraw/zinc/17/92/02/296179202.db2.gz CQIIUVAVVTYLKK-QGZVFWFLSA-N 2 0 321.852 2.744 20 0 DFADRP CCN(CC)C(=O)CCC1CC[NH+](CCC2CC[NH2+]CC2)CC1 ZINC000420364895 296180646 /nfs/dbraw/zinc/18/06/46/296180646.db2.gz RLCOUHDZHSPJIP-UHFFFAOYSA-N 2 0 323.525 2.737 20 0 DFADRP C[C@H](CC(=O)OC(C)(C)C)[NH2+]C[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000596096640 399171912 /nfs/dbraw/zinc/17/19/12/399171912.db2.gz WCCFJGSUEMBKOG-ZBFHGGJFSA-N 2 0 310.482 2.818 20 0 DFADRP C[C@@H](O)C[N@H+](C[C@H]1CCC[NH2+]C1)[C@@H](C)Cc1ccc(Cl)cc1 ZINC000261886936 296180572 /nfs/dbraw/zinc/18/05/72/296180572.db2.gz XBFWXKYDNYCSQH-UXLLHSPISA-N 2 0 324.896 2.953 20 0 DFADRP C(C[NH+]1CCC(c2noc(C3CC3)n2)CC1)C1CC[NH2+]CC1 ZINC000420365118 296180811 /nfs/dbraw/zinc/18/08/11/296180811.db2.gz DOSWBAZLNAGCQB-UHFFFAOYSA-N 2 0 304.438 2.516 20 0 DFADRP Cc1cccc(OCC[NH+]2CCC([C@H]3OCCC[C@H]3[NH3+])CC2)c1 ZINC000420372867 296181955 /nfs/dbraw/zinc/18/19/55/296181955.db2.gz FUYKIWYFBFXJPU-RTBURBONSA-N 2 0 318.461 2.592 20 0 DFADRP C[N@H+](CC[C@H]1CCC[NH2+]C1)C1CCN(c2ccccc2)CC1 ZINC000420372148 296182025 /nfs/dbraw/zinc/18/20/25/296182025.db2.gz LDYVCWRKFBMGHA-QGZVFWFLSA-N 2 0 301.478 2.977 20 0 DFADRP CC(C)c1nc([C@H]2CCC[N@H+](CCC3CC[NH2+]CC3)C2)no1 ZINC000420369047 296181464 /nfs/dbraw/zinc/18/14/64/296181464.db2.gz XKINNZLUXXJCIQ-HNNXBMFYSA-N 2 0 306.454 2.762 20 0 DFADRP CC[C@@H](c1ccc(F)cc1)[N@@H+]1CCC[C@H](n2cc(C[NH3+])nn2)C1 ZINC000420372324 296181902 /nfs/dbraw/zinc/18/19/02/296181902.db2.gz FCQXDBCJFNOWHD-IRXDYDNUSA-N 2 0 317.412 2.664 20 0 DFADRP COC(=O)[C@@H](C)[C@@H]([NH2+]CCC1CC[NH2+]CC1)c1ccccc1 ZINC000420375083 296182232 /nfs/dbraw/zinc/18/22/32/296182232.db2.gz OZIXHPWHBOOEGC-WMLDXEAASA-N 2 0 304.434 2.516 20 0 DFADRP Cc1cc(C)cc(C[N@H+](C)C[C@H](O)[C@@H]([NH3+])Cc2ccccc2)c1 ZINC000420381044 296183600 /nfs/dbraw/zinc/18/36/00/296183600.db2.gz XGUGRTLUEJUGCV-PMACEKPBSA-N 2 0 312.457 2.666 20 0 DFADRP c1ccc2c(c1)cncc2N1CC[NH+](CC[C@@H]2CCC[NH2+]C2)CC1 ZINC000420380958 296183646 /nfs/dbraw/zinc/18/36/46/296183646.db2.gz XDTUNYCRZGMLPI-KRWDZBQOSA-N 2 0 324.472 2.747 20 0 DFADRP C[C@@H]1CCCC[C@@H]1OCC[NH+]1CCC([C@@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000420382947 296183926 /nfs/dbraw/zinc/18/39/26/296183926.db2.gz QADNZUMEUUAYHP-BVBHFADKSA-N 2 0 324.509 2.800 20 0 DFADRP [NH3+][C@@H]1CCO[C@H](C2CC[NH+](CCCCC(F)(F)F)CC2)C1 ZINC000420384794 296184003 /nfs/dbraw/zinc/18/40/03/296184003.db2.gz GULUYSGUCJOJEH-KGLIPLIRSA-N 2 0 308.388 2.937 20 0 DFADRP [NH3+][C@@H]1CCCO[C@H]1C1CC[NH+](CCSc2ccccc2)CC1 ZINC000420389053 296184912 /nfs/dbraw/zinc/18/49/12/296184912.db2.gz XTVAJLLCUDFDNG-MSOLQXFVSA-N 2 0 320.502 2.997 20 0 DFADRP C[C@H]1C[C@H](CC[N@@H+]2CCC[C@H](n3cc(C[NH3+])nn3)C2)C[C@@H](C)C1 ZINC000420389767 296185062 /nfs/dbraw/zinc/18/50/62/296185062.db2.gz YSXZDCUOAZCTGM-LHHMISFZSA-N 2 0 319.497 2.836 20 0 DFADRP O=C(CC[N@@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1)NCC1CCCCC1 ZINC000420395053 296185810 /nfs/dbraw/zinc/18/58/10/296185810.db2.gz KQGOFKQUOAHLOW-ROUUACIJSA-N 2 0 321.509 2.537 20 0 DFADRP CC(C)(C)[C@@H]([NH2+]CCN1CC[NH2+]CC1)c1ccc(F)cc1F ZINC000420401812 296186475 /nfs/dbraw/zinc/18/64/75/296186475.db2.gz JNEBGJYZRDRHHI-INIZCTEOSA-N 2 0 311.420 2.547 20 0 DFADRP c1cc2c(cc1[C@@H]([NH2+]CCC1CC[NH2+]CC1)C1CC1)OCCO2 ZINC000420404942 296186982 /nfs/dbraw/zinc/18/69/82/296186982.db2.gz MMJBMNFHISWKPG-IBGZPJMESA-N 2 0 316.445 2.888 20 0 DFADRP C[C@H](C(=O)N[C@@H]1CC[N@@H+](C2CCCCC2)C1)[NH+]1CCCCCC1 ZINC000618662000 399200936 /nfs/dbraw/zinc/20/09/36/399200936.db2.gz VCTSBDJPNUAJFK-IAGOWNOFSA-N 2 0 321.509 2.774 20 0 DFADRP C[C@@H](C(=O)N[C@@H]1CC[N@@H+](C2CCCCC2)C1)[NH+]1CCCCCC1 ZINC000618661999 399200556 /nfs/dbraw/zinc/20/05/56/399200556.db2.gz VCTSBDJPNUAJFK-DLBZAZTESA-N 2 0 321.509 2.774 20 0 DFADRP CC(C[NH+](C)CC[C@H]1CCCO1)C[N@H+](C)CC[C@H]1CCCO1 ZINC000342607937 284379319 /nfs/dbraw/zinc/37/93/19/284379319.db2.gz RXWBECQQXYLWGV-QZTJIDSGSA-N 2 0 312.498 2.624 20 0 DFADRP CC[C@H]1C[N@H+](C)CCCN1C(=O)C[C@@H](c1ccccc1)[NH+](C)C ZINC000614342012 399214517 /nfs/dbraw/zinc/21/45/17/399214517.db2.gz MAJRJCKNAUTOPY-ROUUACIJSA-N 2 0 317.477 2.622 20 0 DFADRP CC[NH+](CC)CCN(C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000019637237 182134186 /nfs/dbraw/zinc/13/41/86/182134186.db2.gz HWXUFZICCMFHHQ-UHFFFAOYSA-N 2 0 303.494 2.925 20 0 DFADRP CC[NH+]1CCC(N2CCCN([C@H](C)c3ncc(C)o3)CC2)CC1 ZINC000420974450 296219687 /nfs/dbraw/zinc/21/96/87/296219687.db2.gz DSWFEGFBWMUVDK-MRXNPFEDSA-N 2 0 320.481 2.536 20 0 DFADRP C[C@H](C[NH+]1CCC(C)CC1)NC(=O)c1cccc(C[NH+](C)C)c1 ZINC000618989644 399272441 /nfs/dbraw/zinc/27/24/41/399272441.db2.gz UQIZAUSGCDHEJG-MRXNPFEDSA-N 2 0 317.477 2.598 20 0 DFADRP CC[NH+]1CCN(C[C@H](C)C[NH2+]Cc2cccc(C3CC3)c2)CC1 ZINC000421326347 296244941 /nfs/dbraw/zinc/24/49/41/296244941.db2.gz NQJJHGCSQAINAW-QGZVFWFLSA-N 2 0 315.505 2.927 20 0 DFADRP C[NH+](C)C1CCN(CC[NH2+]Cc2cccc(C3CC3)c2)CC1 ZINC000421349078 296246502 /nfs/dbraw/zinc/24/65/02/296246502.db2.gz XIQJAQSPKFUOOY-UHFFFAOYSA-N 2 0 301.478 2.680 20 0 DFADRP C[NH+](C)C1CCC([NH2+]Cc2cnc3ccc(Cl)cn23)CC1 ZINC000421366752 296249175 /nfs/dbraw/zinc/24/91/75/296249175.db2.gz COXXCRCJSPZDBX-UHFFFAOYSA-N 2 0 306.841 2.950 20 0 DFADRP CCCC[C@@H](C(=O)OC)[N@@H+]1CC[C@H](CNc2cc(C)cc[nH+]2)C1 ZINC000609317323 399313362 /nfs/dbraw/zinc/31/33/62/399313362.db2.gz UPXNHOKGPUYGHD-CVEARBPZSA-N 2 0 319.449 2.856 20 0 DFADRP C[NH+](C)Cc1cccc(NC(=O)N[C@@H]2CC[NH2+]C23CCCC3)c1 ZINC000623069621 399322927 /nfs/dbraw/zinc/32/29/27/399322927.db2.gz KSSPSUQMWWPTNI-MRXNPFEDSA-N 2 0 316.449 2.544 20 0 DFADRP CN(CCC[NH2+]Cc1cc2cc(F)ccc2o1)CC[NH+](C)C ZINC000623087837 399324683 /nfs/dbraw/zinc/32/46/83/399324683.db2.gz KUMXEDXAIHKSMY-UHFFFAOYSA-N 2 0 307.413 2.545 20 0 DFADRP COC(=O)[C@@H](c1ccccc1)N1CCC[C@@H](n2ccnc2C)C1 ZINC000609799081 399331959 /nfs/dbraw/zinc/33/19/59/399331959.db2.gz IZUCCAAQCBGDRF-IAGOWNOFSA-N 2 0 313.401 2.743 20 0 DFADRP CC[NH+]1CCN(CCCC[NH2+][C@H](C)c2ccncc2Cl)CC1 ZINC000421819966 296276985 /nfs/dbraw/zinc/27/69/85/296276985.db2.gz JYTRUVIQGFFQKY-OAHLLOKOSA-N 2 0 324.900 2.803 20 0 DFADRP CC(C)[C@H](C[NH2+][C@@H](C)c1ccncc1Cl)N1CC[NH+](C)CC1 ZINC000421821349 296276979 /nfs/dbraw/zinc/27/69/79/296276979.db2.gz QZTOZLISZHETNE-YOEHRIQHSA-N 2 0 324.900 2.658 20 0 DFADRP CSC1(C[NH2+][C@H]2CCc3cccnc3CC2)CC[NH+](C)CC1 ZINC000421857157 296278010 /nfs/dbraw/zinc/27/80/10/296278010.db2.gz PMTUKDPLDFSEJP-INIZCTEOSA-N 2 0 319.518 2.746 20 0 DFADRP C[C@H]([NH2+]C1CCC([NH+](C)C)CC1)c1ccc2c(c1)OCC(=O)N2 ZINC000421876476 296278199 /nfs/dbraw/zinc/27/81/99/296278199.db2.gz KWHVAPYBVOPKAO-GRTSSRMGSA-N 2 0 317.433 2.541 20 0 DFADRP C[N@H+](CCCCO)CC1(C)CC[NH+](Cc2ccccc2)CC1 ZINC000104726758 194031726 /nfs/dbraw/zinc/03/17/26/194031726.db2.gz ZIWNHONXHMHNSY-UHFFFAOYSA-N 2 0 304.478 2.993 20 0 DFADRP CC[NH+](CC)[C@@H](C(=O)NC[C@@H](C1CC1)[NH+](C)C)c1ccccc1 ZINC000104856602 194047535 /nfs/dbraw/zinc/04/75/35/194047535.db2.gz BLAWEMSUNXLKAY-ZWKOTPCHSA-N 2 0 317.477 2.526 20 0 DFADRP CC(C)[NH+]1CCN([C@@H]2CC[N@H+](C/C=C\c3ccccc3)C2)CC1 ZINC000610250328 399350944 /nfs/dbraw/zinc/35/09/44/399350944.db2.gz SJJZDCVILCPNDS-QKWWCAPFSA-N 2 0 313.489 2.800 20 0 DFADRP C[C@@H](C[NH2+]Cc1ccc(-c2ccccc2)o1)N1CC[NH+](C)CC1 ZINC000105466611 194106320 /nfs/dbraw/zinc/10/63/20/194106320.db2.gz MBZQOSLXTLOHHV-INIZCTEOSA-N 2 0 313.445 2.672 20 0 DFADRP C[NH+](C)[C@H](CN[C@@H]1CC[N@H+](C)C(C)(C)C1)Cc1ccccc1 ZINC000623335821 399364633 /nfs/dbraw/zinc/36/46/33/399364633.db2.gz GLTLEEACZNAIRF-MSOLQXFVSA-N 2 0 303.494 2.622 20 0 DFADRP COc1cccc([C@@H](CN[C@@H]2CC[N@H+](C)C(C)(C)C2)[NH+](C)C)c1 ZINC000623335880 399364792 /nfs/dbraw/zinc/36/47/92/399364792.db2.gz JUWMJCOSLPKFGR-SJLPKXTDSA-N 2 0 319.493 2.760 20 0 DFADRP C[C@@H]([NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1)c1ccc(-n2cncn2)cc1 ZINC000623340511 399366351 /nfs/dbraw/zinc/36/63/51/399366351.db2.gz LJCAIAHVBDXVAO-GDBMZVCRSA-N 2 0 313.449 2.791 20 0 DFADRP C[N@@H+]1CC[C@H]([NH2+][C@@H]2CCc3nc(C(C)(C)C)cn3C2)CC1(C)C ZINC000623388276 399377964 /nfs/dbraw/zinc/37/79/64/399377964.db2.gz CTIXHHTYWPQWMY-LSDHHAIUSA-N 2 0 318.509 2.958 20 0 DFADRP C[NH+](C)CCOc1ccccc1C[NH2+]Cc1cccc2n[nH]cc21 ZINC000623385418 399377115 /nfs/dbraw/zinc/37/71/15/399377115.db2.gz JYFAFYVUABKTJD-UHFFFAOYSA-N 2 0 324.428 2.793 20 0 DFADRP COC[C@@H](C[NH2+]C1CCC([N@H+](C)Cc2ccccc2)CC1)OC ZINC000285148845 218309883 /nfs/dbraw/zinc/30/98/83/218309883.db2.gz MCHLOGNBHMTTOD-CTWPCTMYSA-N 2 0 320.477 2.681 20 0 DFADRP COC(=O)c1coc([C@H](C)NCC[C@@H]([NH3+])Cc2ccccc2)c1 ZINC000602023012 399386136 /nfs/dbraw/zinc/38/61/36/399386136.db2.gz VRRKGGXYWOBMOQ-XJKSGUPXSA-N 2 0 316.401 2.677 20 0 DFADRP C[NH+]1CCC(Oc2ccc(C[NH2+]C[C@@H]3CCC=CO3)cc2)CC1 ZINC000285239275 218346177 /nfs/dbraw/zinc/34/61/77/218346177.db2.gz SJPOCFMZGVALIP-IBGZPJMESA-N 2 0 316.445 2.942 20 0 DFADRP CC[NH2+]CC1CC[NH+](CC(=O)Nc2ccc(CC)cc2)CC1 ZINC000262085606 535457534 /nfs/dbraw/zinc/45/75/34/535457534.db2.gz HNJFVHAIPGAYSL-UHFFFAOYSA-N 2 0 303.450 2.509 20 0 DFADRP COc1ccccc1O[C@H](C)C[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623433534 399388755 /nfs/dbraw/zinc/38/87/55/399388755.db2.gz NWVDYTFPYHNPQE-CABCVRRESA-N 2 0 306.450 2.925 20 0 DFADRP COc1ccc(O[C@H](C)C[NH2+][C@@H]2CC[N@H+](C)C(C)(C)C2)cc1 ZINC000623432834 399388801 /nfs/dbraw/zinc/38/88/01/399388801.db2.gz LTFDXXHOHJRENE-HUUCEWRRSA-N 2 0 306.450 2.925 20 0 DFADRP COc1ccc(O[C@@H](C)C[NH2+][C@H]2CC[N@H+](C)C(C)(C)C2)cc1 ZINC000623432833 399389034 /nfs/dbraw/zinc/38/90/34/399389034.db2.gz LTFDXXHOHJRENE-GJZGRUSLSA-N 2 0 306.450 2.925 20 0 DFADRP CC[C@@H]1CN(C(=O)C(C)C)CC[C@@H]1[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623435370 399389063 /nfs/dbraw/zinc/38/90/63/399389063.db2.gz BOQUEYVMPSMEDI-ZACQAIPSSA-N 2 0 323.525 2.732 20 0 DFADRP C[N@@H+]1CC[C@@H]([NH2+][C@H]2CCN(c3ncccc3Cl)C2)CC1(C)C ZINC000623445944 399391886 /nfs/dbraw/zinc/39/18/86/399391886.db2.gz LADOBIVKJOTLOG-KGLIPLIRSA-N 2 0 322.884 2.776 20 0 DFADRP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)[C@H]2CCC[C@H]([NH3+])C2)C1 ZINC000262319117 296312858 /nfs/dbraw/zinc/31/28/58/296312858.db2.gz VHFLKDWRXQEACZ-OWSLCNJRSA-N 2 0 321.509 2.617 20 0 DFADRP CCOc1cc(C[NH2+]C(C)(C)CC[NH3+])ccc1OC(F)F ZINC000422563173 296313101 /nfs/dbraw/zinc/31/31/01/296313101.db2.gz SBVDCBMUWZUWOI-UHFFFAOYSA-N 2 0 302.365 2.904 20 0 DFADRP C[C@@H]1C[C@H](C)[N@H+](Cc2cccc3c2OCCCO3)C[C@@H]1C[NH3+] ZINC000422561482 296312620 /nfs/dbraw/zinc/31/26/20/296312620.db2.gz LKCTUYKAZJUYGN-YCPHGPKFSA-N 2 0 304.434 2.653 20 0 DFADRP CCC[C@@](C)(O)C[NH2+][C@H](C)c1cccc(OCC[NH+](C)C)c1 ZINC000268860835 207028759 /nfs/dbraw/zinc/02/87/59/207028759.db2.gz GCAWFHNFLGOYGH-CRAIPNDOSA-N 2 0 308.466 2.829 20 0 DFADRP CC(C)(CC[NH3+])NC(=O)NCC1([NH+]2CCCCC2)CCCCC1 ZINC000422586071 296314687 /nfs/dbraw/zinc/31/46/87/296314687.db2.gz BAQIUJLXCUJJFL-UHFFFAOYSA-N 2 0 324.513 2.602 20 0 DFADRP COCCC[NH+]1CCC([NH2+][C@H](C)c2ccc3c(c2)COC3)CC1 ZINC000268862553 207030424 /nfs/dbraw/zinc/03/04/24/207030424.db2.gz SDHPDCCBAZYRJZ-OAHLLOKOSA-N 2 0 318.461 2.868 20 0 DFADRP C[N@@H+]1CC[C@H]([NH2+]CC2CCN(c3cc[nH+]cc3)CC2)CC1(C)C ZINC000623482533 399398832 /nfs/dbraw/zinc/39/88/32/399398832.db2.gz YMVFFLPEAQUXQT-KRWDZBQOSA-N 2 0 316.493 2.760 20 0 DFADRP C[C@@H]1C[C@@H](C)[N@H+](CCc2nc(-c3ccccc3)no2)C[C@H]1C[NH3+] ZINC000422640726 296317545 /nfs/dbraw/zinc/31/75/45/296317545.db2.gz VYFOFEABDOABET-IIAWOOMASA-N 2 0 314.433 2.584 20 0 DFADRP CCOc1cc(C[NH2+][C@H](C)[C@@H]2CC[NH2+]C2)ccc1OC(F)F ZINC000422698389 296318102 /nfs/dbraw/zinc/31/81/02/296318102.db2.gz ZDCNLGSCMLLFEA-DGCLKSJQSA-N 2 0 314.376 2.774 20 0 DFADRP CCOCCCC[NH2+][C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422701127 296318357 /nfs/dbraw/zinc/31/83/57/296318357.db2.gz CTRIJSISJFYOAM-WMZOPIPTSA-N 2 0 304.434 2.649 20 0 DFADRP C[C@H]([NH2+]CCCC[N@@H+]1CCC[C@H]1CO)c1cc(F)ccc1F ZINC000268924440 207091196 /nfs/dbraw/zinc/09/11/96/207091196.db2.gz PKOLQHYFQUDPNI-ZFWWWQNUSA-N 2 0 312.404 2.852 20 0 DFADRP C[C@@H]([NH3+])C[C@H](C)[NH2+]Cc1cccc(NC(=O)c2ccccn2)c1 ZINC000422704670 296318824 /nfs/dbraw/zinc/31/88/24/296318824.db2.gz AKSVBSPQOAOYRY-KGLIPLIRSA-N 2 0 312.417 2.549 20 0 DFADRP CC(C)n1ncc2c1C[C@H]([NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1)CC2 ZINC000623505800 399404102 /nfs/dbraw/zinc/40/41/02/399404102.db2.gz QOOCDIUFIBMSCC-HZPDHXFCSA-N 2 0 304.482 2.784 20 0 DFADRP C[N@@H+]1CC[C@H](NC[C@@H]2CC[NH+](Cc3ccccc3)C2)CC1(C)C ZINC000623511073 399405008 /nfs/dbraw/zinc/40/50/08/399405008.db2.gz YZUYLXQFQJOIPC-OALUTQOASA-N 3 0 315.505 2.971 20 0 DFADRP C[C@H]([NH2+]CCc1cc(Br)ccc1F)[C@@H]1CC[NH2+]C1 ZINC000422709950 296319664 /nfs/dbraw/zinc/31/96/64/296319664.db2.gz ZZSHXKIGBUAWDW-CMPLNLGQSA-N 2 0 315.230 2.718 20 0 DFADRP C[C@@H](CN[C@@H](C)[C@H]1CCCC[NH2+]1)[N@@H+]1CCc2ccccc2C1 ZINC000422708637 296319349 /nfs/dbraw/zinc/31/93/49/296319349.db2.gz CCMGJKVZFVYIRI-TXPKVOOTSA-N 2 0 301.478 2.553 20 0 DFADRP CCC(CC)C(=O)N1CCC([NH2+][C@H]2CCCC[C@@H]2C[NH3+])CC1 ZINC000422712121 296320273 /nfs/dbraw/zinc/32/02/73/296320273.db2.gz GKJQXBDLMCXRJC-WBVHZDCISA-N 2 0 309.498 2.521 20 0 DFADRP C[C@@H](NC1CC[NH+](Cc2ccc(F)cc2)CC1)[C@@H]1CCC[NH2+]1 ZINC000422724107 296321712 /nfs/dbraw/zinc/32/17/12/296321712.db2.gz ULLVTVUZDQNKPM-KDOFPFPSSA-N 2 0 305.441 2.520 20 0 DFADRP CC(C)CC(=O)Nc1cccc(C[NH2+][C@H]2CCC[C@H]2C[NH3+])c1 ZINC000422723736 296321731 /nfs/dbraw/zinc/32/17/31/296321731.db2.gz SGKMYGHWPYFQHL-RDJZCZTQSA-N 2 0 303.450 2.888 20 0 DFADRP CC[C@H]([NH2+]CCc1ccc(NC(C)=O)cc1)[C@@H]1CCCC[NH2+]1 ZINC000422722453 296321776 /nfs/dbraw/zinc/32/17/76/296321776.db2.gz XWYFODMRJDKNSC-ROUUACIJSA-N 2 0 303.450 2.698 20 0 DFADRP Fc1ccc(CN2CCC([NH2+]C3C[C@H]4CC[C@@H](C3)[NH2+]4)CC2)cc1 ZINC000422723436 296321840 /nfs/dbraw/zinc/32/18/40/296321840.db2.gz RJEYHSANYRBUJM-DFNIBXOVSA-N 2 0 317.452 2.663 20 0 DFADRP Cc1ccc(C[C@@H](CO)[NH2+][C@H]2CC[N@@H+](C)C(C)(C)C2)cc1C ZINC000623545045 399412947 /nfs/dbraw/zinc/41/29/47/399412947.db2.gz YMHCTCPEYZTJDK-ROUUACIJSA-N 2 0 304.478 2.669 20 0 DFADRP [NH3+]CC1CCC([NH2+]C2CCN(Cc3ccc(F)cc3)CC2)CC1 ZINC000422721009 296321298 /nfs/dbraw/zinc/32/12/98/296321298.db2.gz NDNCPJSIHDISOB-UHFFFAOYSA-N 2 0 319.468 2.897 20 0 DFADRP C[C@@H]([NH2+]CCCC[NH+](C)C)c1ccc(NC(=O)NC2CC2)cc1 ZINC000268974997 207137202 /nfs/dbraw/zinc/13/72/02/207137202.db2.gz GMVWFHVZBUMYHT-CQSZACIVSA-N 2 0 318.465 2.963 20 0 DFADRP Cn1cc(C[C@H]2CCC[C@H]2[NH2+][C@H]2CC[N@H+](C)C(C)(C)C2)cn1 ZINC000623570428 399419046 /nfs/dbraw/zinc/41/90/46/399419046.db2.gz RIKBQWKWHYCDGE-IXDOHACOSA-N 2 0 304.482 2.594 20 0 DFADRP C[C@H]([NH3+])[C@H]1COCC[C@@H]1[NH2+]CCc1ccc(Cl)cc1Cl ZINC000422726304 296322119 /nfs/dbraw/zinc/32/21/19/296322119.db2.gz DKPSQQGEPVWMDH-ZBINZKHDSA-N 2 0 317.260 2.878 20 0 DFADRP C[C@H]1CC[NH2+]CC[C@H]1[NH2+]C1CCN(Cc2ccccc2)CC1 ZINC000422726813 296322596 /nfs/dbraw/zinc/32/25/96/296322596.db2.gz GACFKIJJESCHMC-QFBILLFUSA-N 2 0 301.478 2.629 20 0 DFADRP CC[C@H](C)[C@@](C)(O)C[NH2+]Cc1ccc(OCC[NH+](C)C)cc1 ZINC000602288436 399419504 /nfs/dbraw/zinc/41/95/04/399419504.db2.gz YIZGSVBZHUSEAE-YJBOKZPZSA-N 2 0 308.466 2.514 20 0 DFADRP C[N@@H+]1CC[C@@H]([NH2+]C[C@H]2CCN2Cc2ccccc2)CC1(C)C ZINC000623575126 399419589 /nfs/dbraw/zinc/41/95/89/399419589.db2.gz LWIMYICMMWPZKO-QZTJIDSGSA-N 2 0 301.478 2.723 20 0 DFADRP CC[C@@H]1CCCC[N@@H+]1CCN[C@H](C)c1ccc(C[NH3+])nc1C ZINC000422731868 296323032 /nfs/dbraw/zinc/32/30/32/296323032.db2.gz OEMOXWVJZMBKIY-RHSMWYFYSA-N 2 0 304.482 2.764 20 0 DFADRP CCOc1ccc(C[NH2+]C[C@H]2CCCC[N@H+](C)C2)cc1OC ZINC000623654799 399435739 /nfs/dbraw/zinc/43/57/39/399435739.db2.gz JKQDXTSJSNZZDY-MRXNPFEDSA-N 2 0 306.450 2.915 20 0 DFADRP Cc1ccc(-c2n[nH]cc2C[NH2+]C[C@@H]2CCCC[N@@H+](C)C2)o1 ZINC000623656491 399436310 /nfs/dbraw/zinc/43/63/10/399436310.db2.gz VJHOMVYLUFPAPX-AWEZNQCLSA-N 2 0 302.422 2.800 20 0 DFADRP C[N@@H+]1CCCC[C@@H](C[NH2+]Cc2c[nH]nc2-c2ccsc2)C1 ZINC000623657679 399437804 /nfs/dbraw/zinc/43/78/04/399437804.db2.gz WMCOLNUQDKFWIH-ZDUSSCGKSA-N 2 0 304.463 2.960 20 0 DFADRP C[C@@H]([NH2+]CCCC[NH+](C)C)c1cccc(OCC[NH+](C)C)c1 ZINC000269053287 207202532 /nfs/dbraw/zinc/20/25/32/207202532.db2.gz WEYGGTSZLVUEMG-MRXNPFEDSA-N 3 0 307.482 2.619 20 0 DFADRP C[C@@H]1C[C@@H]([NH2+]CCCC[NH+](C)C)CCN1Cc1ccccc1 ZINC000269054751 207203447 /nfs/dbraw/zinc/20/34/47/207203447.db2.gz WKVPEMWPEBAHNG-MJGOQNOKSA-N 2 0 303.494 2.971 20 0 DFADRP C[C@@H]([NH2+]CC1(O)CC[NH+](C)CC1)c1cccc(C(F)(F)F)c1 ZINC000269074100 207221456 /nfs/dbraw/zinc/22/14/56/207221456.db2.gz XZDRNTYQWUPBOX-GFCCVEGCSA-N 2 0 316.367 2.813 20 0 DFADRP CC[NH+](CC)CC(=O)Nc1cccc(C[NH+]2CCCCC2)c1 ZINC000063735660 184287655 /nfs/dbraw/zinc/28/76/55/184287655.db2.gz YCCQMHDCQZAGHC-UHFFFAOYSA-N 2 0 303.450 2.953 20 0 DFADRP CC[C@H](NC[C@H](c1cccc(F)c1)[NH+](C)C)[C@@H]1CCCC[NH2+]1 ZINC000422736724 296323628 /nfs/dbraw/zinc/32/36/28/296323628.db2.gz WIOFNLWJAGNVIJ-OKZBNKHCSA-N 2 0 307.457 2.939 20 0 DFADRP CC[C@H](C(=O)N1CCCC[C@@H]1[C@H](C)[NH3+])[N@H+](C)Cc1ccccc1 ZINC000422735827 296323714 /nfs/dbraw/zinc/32/37/14/296323714.db2.gz WTUBLPXVMAETLR-CGTJXYLNSA-N 2 0 317.477 2.625 20 0 DFADRP Cc1[nH]c2c(cc(C)cc2C[NH2+][C@@H]2CCOC[C@@H]2[C@@H](C)[NH3+])c1C ZINC000422736186 296323738 /nfs/dbraw/zinc/32/37/38/296323738.db2.gz FTAWEBAGHNEOFJ-FSPWUOQZSA-N 2 0 315.461 2.935 20 0 DFADRP C[C@H](NC[C@@H](c1cccs1)[NH+]1CCC(C)CC1)C1C[NH2+]C1 ZINC000422739880 296324331 /nfs/dbraw/zinc/32/43/31/296324331.db2.gz AOKYCPSOVJZCSB-HOCLYGCPSA-N 2 0 307.507 2.719 20 0 DFADRP [NH3+][C@H]1CCC[C@@H]1[NH2+]CC1(c2cccc(Br)c2)CC1 ZINC000422743751 296324938 /nfs/dbraw/zinc/32/49/38/296324938.db2.gz JGSDDLDABFTFNL-KBPBESRZSA-N 2 0 309.251 2.950 20 0 DFADRP COc1ccccc1[C@H](C[NH2+][C@H](C)CCCC[NH3+])N1CCCC1 ZINC000422744005 296325005 /nfs/dbraw/zinc/32/50/05/296325005.db2.gz JMWAFLSEWXNDKF-AEFFLSMTSA-N 2 0 319.493 2.939 20 0 DFADRP CC1CC[NH+]([C@@H](CNC2CC[NH2+]CC2)c2ccccc2)CC1 ZINC000422742658 296325053 /nfs/dbraw/zinc/32/50/53/296325053.db2.gz SFIGHYXHPFXAQG-IBGZPJMESA-N 2 0 301.478 2.801 20 0 DFADRP COc1ccccc1[C@@H](C[NH2+][C@@H](C)CCCC[NH3+])N1CCCC1 ZINC000422744006 296325068 /nfs/dbraw/zinc/32/50/68/296325068.db2.gz JMWAFLSEWXNDKF-FUHWJXTLSA-N 2 0 319.493 2.939 20 0 DFADRP Cc1ccccc1OCCC[NH2+][C@@H]1CCOC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000422744415 296324860 /nfs/dbraw/zinc/32/48/60/296324860.db2.gz SVDFJBKNLBWSRN-KZNAEPCWSA-N 2 0 318.461 2.511 20 0 DFADRP COc1ccccc1[C@@H](CN[C@H]1CCC[NH2+]CC1)[NH+]1CCCC1 ZINC000422748638 296325496 /nfs/dbraw/zinc/32/54/96/296325496.db2.gz VMAIWVSRSYHCTR-FUHWJXTLSA-N 2 0 317.477 2.564 20 0 DFADRP COc1ccccc1[C@@H](CN[C@H](C)[C@@H]1CCC[NH2+]1)[NH+]1CCCC1 ZINC000422746882 296325620 /nfs/dbraw/zinc/32/56/20/296325620.db2.gz ORKOEGGKXXWPKP-BPQIPLTHSA-N 2 0 317.477 2.562 20 0 DFADRP [NH3+]CC1CCC([NH2+]C[C@@H]2CCCN2Cc2ccccc2)CC1 ZINC000422747493 296325869 /nfs/dbraw/zinc/32/58/69/296325869.db2.gz YXJIVSRZODPPPL-KVZIAJEVSA-N 2 0 301.478 2.758 20 0 DFADRP COc1ccccc1[C@H](C[NH2+][C@H](C)C[C@@H](C)[NH3+])N1CCCC1 ZINC000422749004 296326236 /nfs/dbraw/zinc/32/62/36/296326236.db2.gz WZUOCZKPQBWKPK-INMHGKMJSA-N 2 0 305.466 2.548 20 0 DFADRP [NH3+][C@@H]1C[C@@H]([NH2+]C[C@H](CO)Cc2ccc(F)cc2)c2ccccc21 ZINC000422753657 296326849 /nfs/dbraw/zinc/32/68/49/296326849.db2.gz GEOIXOKATDYLIL-NIKGAXFTSA-N 2 0 314.404 2.711 20 0 DFADRP COc1cccc(N2CCC[C@H]([NH2+]C3C[C@H]4CC[C@@H](C3)[NH2+]4)C2)c1 ZINC000422753953 296327092 /nfs/dbraw/zinc/32/70/92/296327092.db2.gz FMPWUTJYSGJJOF-TVXGVJEUSA-N 2 0 315.461 2.537 20 0 DFADRP CCS[C@@H]1CCCC[C@@H]1[NH2+]C1CC[NH+](CC(C)(C)O)CC1 ZINC000602562474 399476853 /nfs/dbraw/zinc/47/68/53/399476853.db2.gz BYFYIIQMCZSZBE-JKSUJKDBSA-N 2 0 314.539 2.876 20 0 DFADRP C[C@H]([NH2+]CC1(c2cccc(Cl)c2)CCOCC1)[C@H]1CC[NH2+]C1 ZINC000422755444 296327325 /nfs/dbraw/zinc/32/73/25/296327325.db2.gz HTFSDPBXOCELMJ-GJZGRUSLSA-N 2 0 322.880 2.976 20 0 DFADRP Cc1nc2ccccc2n1CCC[NH2+][C@H](C)[C@H]1CCCC[NH2+]1 ZINC000422756032 296327401 /nfs/dbraw/zinc/32/74/01/296327401.db2.gz KZBGADYVDGGGMV-GDBMZVCRSA-N 2 0 300.450 2.855 20 0 DFADRP CCOc1ccc(CC[NH2+][C@H](C)[C@@H]2CC[NH2+]C2)cc1OCC ZINC000422757081 296327828 /nfs/dbraw/zinc/32/78/28/296327828.db2.gz JKQNNSBUTJIJMY-GDBMZVCRSA-N 2 0 306.450 2.614 20 0 DFADRP C[C@H](COc1ccccc1C(F)(F)F)[NH2+][C@H](C)C1C[NH2+]C1 ZINC000422763249 296328727 /nfs/dbraw/zinc/32/87/27/296328727.db2.gz OQONHXCWSCTAOT-GHMZBOCLSA-N 2 0 302.340 2.670 20 0 DFADRP C[C@H]([NH2+]Cc1ccc(OCC[NH+](C)C)cc1)[C@@H]1CCCCO1 ZINC000623866364 399483014 /nfs/dbraw/zinc/48/30/14/399483014.db2.gz SKQORIDIGRNRCS-YJBOKZPZSA-N 2 0 306.450 2.674 20 0 DFADRP C[C@@H](COc1ccccc1C(F)(F)F)[NH2+]C1CC[NH2+]CC1 ZINC000422770084 296330254 /nfs/dbraw/zinc/33/02/54/296330254.db2.gz WJRIFOXUTKZPDH-NSHDSACASA-N 2 0 302.340 2.814 20 0 DFADRP [NH3+]C[C@H]1CCCC[C@H]1[NH2+]CC1(c2ccc(F)cc2)CCOCC1 ZINC000422771172 296330353 /nfs/dbraw/zinc/33/03/53/296330353.db2.gz XVKSFUCUXDTFRT-CRAIPNDOSA-N 2 0 320.452 2.981 20 0 DFADRP Cc1ccc(CSCC[NH2+][C@@H]2CCOC[C@@H]2[C@H](C)[NH3+])cc1 ZINC000422774099 296331039 /nfs/dbraw/zinc/33/10/39/296331039.db2.gz VMOLRXDPJNQFJM-USXIJHARSA-N 2 0 308.491 2.570 20 0 DFADRP C[C@H]([NH3+])[C@@H](Cc1ccccc1)NCCC[N@@H+]1CCCC[C@@H]1C ZINC000422772677 296330574 /nfs/dbraw/zinc/33/05/74/296330574.db2.gz SRWDMIGSGCRTIV-JENIJYKNSA-N 2 0 303.494 2.799 20 0 DFADRP C[C@@H](NCC(C)(C)[NH+]1C[C@H](C)C[C@@H](C)C1)c1c[nH+]ccc1N ZINC000422773238 296330796 /nfs/dbraw/zinc/33/07/96/296330796.db2.gz ZNDYSQQWJQPQAY-RBSFLKMASA-N 2 0 304.482 2.901 20 0 DFADRP [NH3+]CC1CCC([NH2+]CCNc2ncc(Cl)cc2Cl)CC1 ZINC000422776817 296331211 /nfs/dbraw/zinc/33/12/11/296331211.db2.gz DZHXAERNDUJKQF-UHFFFAOYSA-N 2 0 317.264 2.907 20 0 DFADRP CC[N@@H+]1CCC[C@H](Nc2nccc(N3Cc4ccccc4C3)n2)C1 ZINC000623884263 399487281 /nfs/dbraw/zinc/48/72/81/399487281.db2.gz WIDOZDDPGBJTGE-KRWDZBQOSA-N 2 0 323.444 2.893 20 0 DFADRP CC[C@@H]([NH2+][C@@H](C)CN1CC[NH+](C)CC1)c1cc(C)ccc1C ZINC000623889262 399488002 /nfs/dbraw/zinc/48/80/02/399488002.db2.gz IRLTURKVBCJAOG-PKOBYXMFSA-N 2 0 303.494 2.980 20 0 DFADRP CC[C@H](CCc1ccccc1)[NH2+][C@H](C)CN1CC[NH+](C)CC1 ZINC000623889871 399488697 /nfs/dbraw/zinc/48/86/97/399488697.db2.gz YKCLQMXJTMVOIC-IEBWSBKVSA-N 2 0 303.494 2.623 20 0 DFADRP C[C@@H]([NH2+]CC[C@@H]1CCOC1)c1cccc(OCC[NH+](C)C)c1 ZINC000346877018 284969159 /nfs/dbraw/zinc/96/91/59/284969159.db2.gz RONJPKVFPYJJKM-HZPDHXFCSA-N 2 0 306.450 2.704 20 0 DFADRP C[C@H]([NH2+]CC[C@@H]1CCOC1)c1ccc(OCC[NH+](C)C)cc1 ZINC000346893659 284973735 /nfs/dbraw/zinc/97/37/35/284973735.db2.gz YBIDQMHFULIQHM-JKSUJKDBSA-N 2 0 306.450 2.704 20 0 DFADRP C(C[NH2+][C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1)COCC1CCOCC1 ZINC000422791254 296333229 /nfs/dbraw/zinc/33/32/29/296333229.db2.gz VVFBIWYOBIIEQB-IPMKNSEASA-N 2 0 324.509 2.720 20 0 DFADRP C[C@@H]([NH2+]CCc1csc(-c2ccccc2)n1)[C@@H]1CC[NH2+]C1 ZINC000422785691 296332737 /nfs/dbraw/zinc/33/27/37/296332737.db2.gz NVKCNPOMGOFELM-UKRRQHHQSA-N 2 0 301.459 2.940 20 0 DFADRP C[C@H](C[NH2+][C@@H]1CCOC[C@H]1[C@@H]1CCC[NH2+]1)Sc1ccccc1 ZINC000422788356 296332932 /nfs/dbraw/zinc/33/29/32/296332932.db2.gz NDAIOHMWACXYBN-LAVFITLUSA-N 2 0 320.502 2.914 20 0 DFADRP COc1ccc(OCC[NH2+][C@H](Cc2ccccc2)[C@H](C)[NH3+])cc1 ZINC000422789363 296332962 /nfs/dbraw/zinc/33/29/62/296332962.db2.gz OFECLNOSDOGWBC-HNAYVOBHSA-N 2 0 314.429 2.622 20 0 DFADRP Cc1cc(C)cc(CC[NH2+][C@@H]2CCOC[C@H]2[C@@H]2CCC[NH2+]2)c1 ZINC000422788663 296333091 /nfs/dbraw/zinc/33/30/91/296333091.db2.gz SODMTKKYBNUUAY-GBESFXJTSA-N 2 0 302.462 2.593 20 0 DFADRP CCCCOCC[NH2+][C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422789821 296333293 /nfs/dbraw/zinc/33/32/93/296333293.db2.gz WZLAWSDYQBUNEQ-AEFFLSMTSA-N 2 0 304.434 2.649 20 0 DFADRP CCOC(=O)[C@](C)(C[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1)c1ccccc1 ZINC000602629746 399496687 /nfs/dbraw/zinc/49/66/87/399496687.db2.gz JFZOUASKDOWEMU-KVSKMBFKSA-N 2 0 318.461 2.580 20 0 DFADRP COC[C@H](CCC[NH3+])[NH2+]Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000422793163 296333775 /nfs/dbraw/zinc/33/37/75/296333775.db2.gz RWDJSFIIBBNCRE-IBGZPJMESA-N 3 0 319.493 2.516 20 0 DFADRP C[C@@H]1C[NH+](CCCC[NH2+][C@H]2CCCc3scnc32)C[C@@H](C)O1 ZINC000623916578 399494480 /nfs/dbraw/zinc/49/44/80/399494480.db2.gz SXFDIIXJUSGLLR-KFWWJZLASA-N 2 0 323.506 3.000 20 0 DFADRP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+]CCc1ccn(-c2ccc(F)cc2)n1 ZINC000422796633 296334420 /nfs/dbraw/zinc/33/44/20/296334420.db2.gz YTNYZBZFWNKBIC-MSOLQXFVSA-N 2 0 316.424 2.804 20 0 DFADRP Cc1ccccc1O[C@H](C)C[NH2+][C@@H]1CCOC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000422796794 296334453 /nfs/dbraw/zinc/33/44/53/296334453.db2.gz ZBDWYFGZUMUACT-ZJPYXAASSA-N 2 0 318.461 2.509 20 0 DFADRP CC(C)C(=O)Nc1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000422795598 296334591 /nfs/dbraw/zinc/33/45/91/296334591.db2.gz HUSAGQIJJANQOS-SJPCQFCGSA-N 2 0 301.434 2.654 20 0 DFADRP C[C@H](C[NH2+][C@@H](C)CCC[NH3+])Oc1ccc(Br)cc1 ZINC000422795309 296334607 /nfs/dbraw/zinc/33/46/07/296334607.db2.gz HILGHHQNDWVVJU-NWDGAFQWSA-N 2 0 315.255 2.933 20 0 DFADRP CC(C)c1ccc([C@H]([NH3+])CNC(=O)[C@H](C(C)C)[C@H](C)[NH3+])cc1 ZINC000422797532 296334676 /nfs/dbraw/zinc/33/46/76/296334676.db2.gz NDQHYZKXPWTIMG-IAOVAPTHSA-N 2 0 305.466 2.545 20 0 DFADRP CC[NH+]1CCC(CC[NH2+][C@H](C)c2ccc(C[NH3+])nc2C)CC1 ZINC000422794137 296334125 /nfs/dbraw/zinc/33/41/25/296334125.db2.gz YGSIKZZTWJSJJX-CQSZACIVSA-N 3 0 304.482 2.621 20 0 DFADRP C[C@@H](C[NH2+]C1CC[NH2+]CC1)Oc1cccc(Br)c1 ZINC000422794837 296334188 /nfs/dbraw/zinc/33/41/88/296334188.db2.gz GZBOCAVBHYSTDQ-NSHDSACASA-N 2 0 313.239 2.558 20 0 DFADRP C[C@H](C[C@H](C)[NH3+])[NH2+]C[C@@H](C)Oc1ccc(Br)cc1 ZINC000422799061 296335129 /nfs/dbraw/zinc/33/51/29/296335129.db2.gz UWQSNWRPIZLXOX-QJPTWQEYSA-N 2 0 315.255 2.932 20 0 DFADRP C[C@H](C[NH2+][C@H]1CCC[C@H]1[NH3+])Oc1cccc(Br)c1 ZINC000422798817 296335207 /nfs/dbraw/zinc/33/52/07/296335207.db2.gz SXUFBHAFESTNTK-HONMWMINSA-N 2 0 313.239 2.686 20 0 DFADRP c1ccc([C@H]2C[C@@H](NCC[NH+]3CCCCCC3)CC[NH2+]2)cc1 ZINC000422805529 296336450 /nfs/dbraw/zinc/33/64/50/296336450.db2.gz JHWXBTQOQUXGDD-RBUKOAKNSA-N 2 0 301.478 2.945 20 0 DFADRP CN(c1nc2ccccc2n2cncc12)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000623963263 399504613 /nfs/dbraw/zinc/50/46/13/399504613.db2.gz BXLANCDOZNGMJQ-CQSZACIVSA-N 2 0 307.401 2.555 20 0 DFADRP CCOC(=O)C1([C@H](C)[NH2+]CCC2CCCCC2)CC[NH2+]CC1 ZINC000422809178 296336903 /nfs/dbraw/zinc/33/69/03/296336903.db2.gz POGMWESIKSOVKB-HNNXBMFYSA-N 2 0 310.482 2.868 20 0 DFADRP [NH3+][C@H]1CCCCC[C@@H]1[NH2+]CCc1nc(C(F)(F)F)cs1 ZINC000422809136 296337058 /nfs/dbraw/zinc/33/70/58/296337058.db2.gz PJHZRPWROBNMJF-UWVGGRQHSA-N 2 0 307.385 2.954 20 0 DFADRP C[C@@H](CCC[NH3+])[NH2+]Cc1ccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000422809291 296337065 /nfs/dbraw/zinc/33/70/65/296337065.db2.gz LXCCHZFKCUVNHN-YESZJQIVSA-N 3 0 319.493 2.513 20 0 DFADRP COC[C@H](CCC[NH3+])[NH2+]CCOc1ccc2ccccc2c1 ZINC000422811203 296337282 /nfs/dbraw/zinc/33/72/82/296337282.db2.gz OSKZNKBCFCJCOE-KRWDZBQOSA-N 2 0 302.418 2.562 20 0 DFADRP [NH3+]C[C@H]1CCCC[C@@H]1[NH2+]Cc1cccc(C[NH+]2CCCC2)c1 ZINC000422812756 296337667 /nfs/dbraw/zinc/33/76/67/296337667.db2.gz WWDYYXBDKIYXPA-MOPGFXCFSA-N 3 0 301.478 2.890 20 0 DFADRP CC[C@H](C[NH2+][C@@H]1CCCC[C@@H]1C[NH3+])N1CCc2ccccc2C1 ZINC000422812578 296337741 /nfs/dbraw/zinc/33/77/41/296337741.db2.gz WOVUDKOBNYWXLM-MISYRCLQSA-N 2 0 315.505 2.930 20 0 DFADRP CC[C@H](C(=O)NC(CC)(CC)C[NH3+])[N@H+](C)Cc1ccccc1 ZINC000422815800 296338280 /nfs/dbraw/zinc/33/82/80/296338280.db2.gz CLRAWPIFFOAUDI-MRXNPFEDSA-N 2 0 305.466 2.531 20 0 DFADRP C[C@@H]([NH3+])C[C@@H](C)[NH2+]Cc1ccc(COCC(F)(F)F)cc1 ZINC000422811595 296337551 /nfs/dbraw/zinc/33/75/51/296337551.db2.gz PKGRTHOIAGVSSQ-VXGBXAGGSA-N 2 0 304.356 2.981 20 0 DFADRP CCS[C@@H]1CCC[C@H]([NH2+][C@@H]2CCOC[C@@H]2[C@@H]2CCC[NH2+]2)C1 ZINC000422818198 296338802 /nfs/dbraw/zinc/33/88/02/296338802.db2.gz JSLHHWMPXIDAFT-JZAWBGDQSA-N 2 0 312.523 2.797 20 0 DFADRP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1[NH2+]C[C@H]1CCCC[C@@H]1C(F)(F)F ZINC000422818839 296339037 /nfs/dbraw/zinc/33/90/37/296339037.db2.gz LQROWGMJTVSDAJ-NDKCEZKHSA-N 2 0 308.388 2.697 20 0 DFADRP [NH3+]CC1CCC([NH2+]CCC2CCN(CC(F)(F)F)CC2)CC1 ZINC000422820282 296339317 /nfs/dbraw/zinc/33/93/17/296339317.db2.gz PUPZUMDSSNEWEK-UHFFFAOYSA-N 2 0 321.431 2.758 20 0 DFADRP C[C@H]([NH2+]CC1CC[NH+](Cc2cccs2)CC1)[C@H]1CC[NH2+]C1 ZINC000422822993 296339714 /nfs/dbraw/zinc/33/97/14/296339714.db2.gz CERVVGXHVUZSAP-HOCLYGCPSA-N 3 0 307.507 2.548 20 0 DFADRP Cc1ccc([C@@H](C[NH2+]C2CCC([NH3+])CC2)N2CCCC2)cc1 ZINC000422826404 296339895 /nfs/dbraw/zinc/33/98/95/296339895.db2.gz LHVLFCOSXXCXRU-CTWPCTMYSA-N 2 0 301.478 2.991 20 0 DFADRP COC[C@@H](Cc1ccccc1)[NH2+][C@@H](C)c1ccc(C[NH3+])nc1C ZINC000422826007 296340072 /nfs/dbraw/zinc/34/00/72/296340072.db2.gz QLOCWLDVSUBHBG-MAUKXSAKSA-N 2 0 313.445 2.757 20 0 DFADRP Cc1ccc([C@H](CN[C@H](C)[C@H]2CCC[NH2+]2)[NH+]2CCCC2)cc1 ZINC000422826726 296340453 /nfs/dbraw/zinc/34/04/53/296340453.db2.gz LYLIHVUDRVMDNV-QRQLOZEOSA-N 2 0 301.478 2.862 20 0 DFADRP C[C@H](Cc1ccncc1)[NH2+][C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422839593 296342418 /nfs/dbraw/zinc/34/24/18/296342418.db2.gz QTYQDZQJWMZXIH-ZTNFWEORSA-N 2 0 323.440 2.858 20 0 DFADRP c1csc(C[N@H+]2CCC[C@@H](CNC3C[C@H]4CC[C@@H](C3)[NH2+]4)C2)c1 ZINC000422838488 296342432 /nfs/dbraw/zinc/34/24/32/296342432.db2.gz OOEIENZBVRLBGB-PMRDEQMMSA-N 2 0 319.518 2.833 20 0 DFADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+][C@H]1CCN(c2cccc(Cl)c2)C1 ZINC000422832343 296341307 /nfs/dbraw/zinc/34/13/07/296341307.db2.gz FUFQJEXJZGBPKR-UKPHBRMFSA-N 2 0 307.869 2.896 20 0 DFADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+][C@@H]1CCN(c2cccc(Cl)c2)C1 ZINC000422832341 296341580 /nfs/dbraw/zinc/34/15/80/296341580.db2.gz FUFQJEXJZGBPKR-FRFSOERESA-N 2 0 307.869 2.896 20 0 DFADRP C[C@H](CCC[NH3+])[NH2+]C[C@H](C)Oc1ccccc1Br ZINC000422835055 296341690 /nfs/dbraw/zinc/34/16/90/296341690.db2.gz IDJIRCKHBWNXIA-NEPJUHHUSA-N 2 0 315.255 2.933 20 0 DFADRP CC[NH+](CC)[C@H](CN[C@H]1CCC[NH2+]CC1)Cc1ccccc1 ZINC000422836738 296342132 /nfs/dbraw/zinc/34/21/32/296342132.db2.gz RWUXJWSUVWFGCF-OALUTQOASA-N 2 0 303.494 2.671 20 0 DFADRP [NH3+]C[C@H]1CCC[C@@H]1[NH2+]Cc1ccc(NC(=O)c2cccnc2)cc1 ZINC000422843451 296343372 /nfs/dbraw/zinc/34/33/72/296343372.db2.gz IILUZTJZTHBGEZ-QAPCUYQASA-N 2 0 324.428 2.551 20 0 DFADRP C[C@H](NC[C@@H](c1cccc(Cl)c1)[NH+]1CCCC1)C1C[NH2+]C1 ZINC000422843531 296343421 /nfs/dbraw/zinc/34/34/21/296343421.db2.gz IQGZCDOHRDZMIY-GUYCJALGSA-N 2 0 307.869 2.674 20 0 DFADRP O=C(CC[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1)N1CCCCCC1 ZINC000422844081 296343488 /nfs/dbraw/zinc/34/34/88/296343488.db2.gz KTSCAZVWUWIDCB-FGTMMUONSA-N 2 0 321.509 2.680 20 0 DFADRP C[C@H]([NH3+])[C@@H]1COCC[C@H]1[NH2+][C@H]1CCSc2c(F)cccc21 ZINC000422844276 296343491 /nfs/dbraw/zinc/34/34/91/296343491.db2.gz LJQZXAYIHPUREK-FATJJJSSSA-N 2 0 310.438 2.705 20 0 DFADRP CC(C)[C@H](CN[C@H](C)c1c[nH+]ccc1N)[NH+]1CCC(C)CC1 ZINC000422840380 296342701 /nfs/dbraw/zinc/34/27/01/296342701.db2.gz BKUSTWKDUBWLDM-QAPCUYQASA-N 2 0 304.482 2.901 20 0 DFADRP C[C@@H](NC1CC[NH+](CCc2ccccc2)CC1)[C@H]1CCCC[NH2+]1 ZINC000422841335 296342728 /nfs/dbraw/zinc/34/27/28/296342728.db2.gz CTKMEXWJLRSZQD-YLJYHZDGSA-N 2 0 315.505 2.814 20 0 DFADRP C[C@@H]1CC[NH2+]C[C@H]1NC[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000422841296 296342854 /nfs/dbraw/zinc/34/28/54/296342854.db2.gz VOKLGYNWZWRPFU-HLLBOEOZSA-N 2 0 307.507 2.548 20 0 DFADRP C[C@@H]1CC[NH2+]CC[C@@H]1NC1CC[NH+](CCc2ccccc2)CC1 ZINC000422842443 296343155 /nfs/dbraw/zinc/34/31/55/296343155.db2.gz FWQRRGWATKMODO-XLIONFOSSA-N 2 0 315.505 2.671 20 0 DFADRP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1[NH2+][C@@H]1CCSc2c(F)cccc21 ZINC000422844277 296343293 /nfs/dbraw/zinc/34/32/93/296343293.db2.gz LJQZXAYIHPUREK-HQRZJTNHSA-N 2 0 310.438 2.705 20 0 DFADRP COCCCOc1cc(C)ccc1C[NH2+][C@@H]1CC[NH2+]CC[C@H]1C ZINC000422850039 296344763 /nfs/dbraw/zinc/34/47/63/296344763.db2.gz CRAHNCMRWAJJFI-SJLPKXTDSA-N 2 0 320.477 2.888 20 0 DFADRP COC[C@H](CCC[NH3+])[NH2+][C@H](C)c1ccc(-n2ccnc2C)cc1 ZINC000422867042 296347022 /nfs/dbraw/zinc/34/70/22/296347022.db2.gz RMCZKUHTADMORI-PBHICJAKSA-N 2 0 316.449 2.585 20 0 DFADRP COc1ccc(C(C)(C)C[NH2+][C@H]2CCC[C@@H]2C[NH3+])cc1OC ZINC000422858216 296345842 /nfs/dbraw/zinc/34/58/42/296345842.db2.gz ICEDWYFXVLHCAT-HIFRSBDPSA-N 2 0 306.450 2.698 20 0 DFADRP COc1ccc(C(C)(C)C[NH2+][C@H]2CCC[C@H]2C[NH3+])cc1OC ZINC000422858218 296345912 /nfs/dbraw/zinc/34/59/12/296345912.db2.gz ICEDWYFXVLHCAT-ZFWWWQNUSA-N 2 0 306.450 2.698 20 0 DFADRP CSc1cc(C)ccc1C[NH2+][C@@H]1CCOC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000422872617 296348154 /nfs/dbraw/zinc/34/81/54/296348154.db2.gz HWPWZFVEQSFNFJ-IXDOHACOSA-N 2 0 320.502 2.964 20 0 DFADRP Cc1cc(C)n(-c2ccc(CC[NH2+][C@@H](C)[C@H]3CC[NH2+]C3)cc2)n1 ZINC000422867673 296347461 /nfs/dbraw/zinc/34/74/61/296347461.db2.gz STXYMACRUAWEBG-WMZOPIPTSA-N 2 0 312.461 2.619 20 0 DFADRP C[C@H](CN[C@H](Cc1ccccc1)[C@H](C)[NH3+])[N@@H+]1CCC[C@@H](C)C1 ZINC000422870836 296347754 /nfs/dbraw/zinc/34/77/54/296347754.db2.gz ZHUYIRWASDKCLQ-VXIBKDFQSA-N 2 0 303.494 2.655 20 0 DFADRP CC1(C)CC([NH2+]Cc2ccc(C[NH+]3CCC(O)CC3)cc2)C1 ZINC000347388831 285026724 /nfs/dbraw/zinc/02/67/24/285026724.db2.gz ZQGOLSNBHJYWRS-UHFFFAOYSA-N 2 0 302.462 2.922 20 0 DFADRP CCOc1cccc(C[NH2+][C@@H](C)C[C@@H](C)[NH3+])c1OC(F)F ZINC000422876144 296348728 /nfs/dbraw/zinc/34/87/28/296348728.db2.gz PWAFYXJWEPMMPY-MNOVXSKESA-N 2 0 302.365 2.902 20 0 DFADRP Cc1ccc([C@H](CN[C@@H](C)[C@@H]2CCCC[NH2+]2)[NH+]2CCCC2)o1 ZINC000422877966 296349023 /nfs/dbraw/zinc/34/90/23/296349023.db2.gz JEWJHBZRGATIRE-ULQDDVLXSA-N 2 0 305.466 2.845 20 0 DFADRP COC[C@@H](CCC[NH3+])[NH2+]CC1(c2cccc(OC)c2)CCCC1 ZINC000422882861 296350070 /nfs/dbraw/zinc/35/00/70/296350070.db2.gz BFGZIHIFHZZLMM-QGZVFWFLSA-N 2 0 320.477 2.851 20 0 DFADRP COC[C@H](CCC[NH3+])[NH2+]CC1(c2ccc(F)cc2)CCCC1 ZINC000422885461 296350536 /nfs/dbraw/zinc/35/05/36/296350536.db2.gz YSNMMXMOTXXDKL-KRWDZBQOSA-N 2 0 308.441 2.981 20 0 DFADRP COc1ccc(CC[NH2+][C@H](C)C[C@H](C)[NH3+])cc1OC(F)F ZINC000422879836 296349414 /nfs/dbraw/zinc/34/94/14/296349414.db2.gz MVDVJELSODFMHQ-WDEREUQCSA-N 2 0 302.365 2.555 20 0 DFADRP Cc1ccc(C[NH2+][C@@H]2CCC[C@H]2C[NH3+])c(OC[C@H]2CCCO2)c1 ZINC000422881584 296349846 /nfs/dbraw/zinc/34/98/46/296349846.db2.gz ZALXUWNYVQKYOD-CGTJXYLNSA-N 2 0 318.461 2.770 20 0 DFADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]Cc1ccc(-n2cccn2)cc1 ZINC000422885040 296350611 /nfs/dbraw/zinc/35/06/11/296350611.db2.gz TUBJHYRQEUCWQF-CQSZACIVSA-N 2 0 321.428 2.885 20 0 DFADRP Cc1ccc([C@H](C[NH2+][C@@H]2CC[NH2+]CC[C@@H]2C)N2CCCC2)o1 ZINC000422881157 296349887 /nfs/dbraw/zinc/34/98/87/296349887.db2.gz PQAPLZVNNJJCHR-UAGQMJEPSA-N 2 0 305.466 2.703 20 0 DFADRP FC(F)(F)Oc1ccc(CC[NH2+][C@H]2CCC[NH2+]CC2)cc1 ZINC000422887915 296350937 /nfs/dbraw/zinc/35/09/37/296350937.db2.gz BROMFDAWZJSRHL-ZDUSSCGKSA-N 2 0 302.340 2.859 20 0 DFADRP COc1cc([C@@H](C)[NH2+][C@@H](C)CCCC[NH3+])cc(OC)c1OC ZINC000422887792 296351004 /nfs/dbraw/zinc/35/10/04/296351004.db2.gz ZMLLDDLRXVTOEZ-QWHCGFSZSA-N 2 0 310.438 2.881 20 0 DFADRP Cc1ccc(N2CC[C@H]([NH2+][C@@H]3C[C@H](C)[N@@H+](C)C[C@@H]3C)C2)cc1 ZINC000119694954 195019538 /nfs/dbraw/zinc/01/95/38/195019538.db2.gz SCIKUJGFNQJJLR-LSTDLKDCSA-N 2 0 301.478 2.892 20 0 DFADRP [NH3+]C[C@H]1CCC[C@@H]1[NH2+]CCc1ccc(OC(F)(F)F)cc1 ZINC000422891132 296351587 /nfs/dbraw/zinc/35/15/87/296351587.db2.gz KCPWDEWQHSZKLW-OCCSQVGLSA-N 2 0 302.340 2.845 20 0 DFADRP CC[C@H](C)NC(=O)c1cccc(C[NH2+]C2CCC([NH3+])CC2)c1 ZINC000422891587 296351595 /nfs/dbraw/zinc/35/15/95/296351595.db2.gz KTOVYFOIBPJQHM-IGEOTXOUSA-N 2 0 303.450 2.574 20 0 DFADRP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]Cc1ccc(N2CCCCCC2)nc1 ZINC000422888209 296350861 /nfs/dbraw/zinc/35/08/61/296350861.db2.gz CCWLAKLLQNCIDW-IRXDYDNUSA-N 2 0 302.466 2.679 20 0 DFADRP COc1ccc(C2(C[NH2+]C3CCC([NH3+])CC3)CCOCC2)cc1 ZINC000422899431 296352714 /nfs/dbraw/zinc/35/27/14/296352714.db2.gz OLRZIIXIZOACJG-UHFFFAOYSA-N 2 0 318.461 2.603 20 0 DFADRP COc1cccc(N2CC[C@@H](C[NH2+][C@H](C)[C@H]3CCCC[NH2+]3)C2)c1 ZINC000422899832 296352715 /nfs/dbraw/zinc/35/27/15/296352715.db2.gz IGZQBYHTSXWDIU-JTDSTZFVSA-N 2 0 317.477 2.642 20 0 DFADRP Cc1nccn1-c1ccc(C[NH2+][C@@H](C)CCCC[NH3+])cc1F ZINC000422899891 296352782 /nfs/dbraw/zinc/35/27/82/296352782.db2.gz IJBVCQNIRJRAGG-ZDUSSCGKSA-N 2 0 304.413 2.927 20 0 DFADRP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]C[C@@H]1CCN(c2ccc(F)cc2)C1 ZINC000422901253 296353073 /nfs/dbraw/zinc/35/30/73/296353073.db2.gz RSSPATGPTFGVPQ-RLFYNMQTSA-N 2 0 305.441 2.759 20 0 DFADRP Cc1ccccc1C[NH+]1CCC(N[C@@H](C)[C@@H]2CC[NH2+]C2)CC1 ZINC000422902124 296353185 /nfs/dbraw/zinc/35/31/85/296353185.db2.gz TUBHYUJKQBRBQN-DLBZAZTESA-N 2 0 301.478 2.547 20 0 DFADRP COc1ccc(C)cc1C1(C[NH2+][C@@H]2CCC[C@H]2[NH3+])CCOCC1 ZINC000422902150 296353463 /nfs/dbraw/zinc/35/34/63/296353463.db2.gz TVBWSHZWDXKGNA-IAGOWNOFSA-N 2 0 318.461 2.521 20 0 DFADRP C[C@H]([NH2+]CCc1ccc(OC(F)(F)F)cc1)[C@H]1CC[NH2+]C1 ZINC000422894839 296351884 /nfs/dbraw/zinc/35/18/84/296351884.db2.gz UPUDHKCVTAERMS-AAEUAGOBSA-N 2 0 302.340 2.715 20 0 DFADRP C[C@@H]([NH2+]CCc1ccc(OC(F)(F)F)cc1)[C@@H]1CC[NH2+]C1 ZINC000422894840 296351941 /nfs/dbraw/zinc/35/19/41/296351941.db2.gz UPUDHKCVTAERMS-DGCLKSJQSA-N 2 0 302.340 2.715 20 0 DFADRP C[C@H]([NH2+][C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)C1CCOCC1 ZINC000422895808 296352195 /nfs/dbraw/zinc/35/21/95/296352195.db2.gz WTZNOIXTWXDBMT-FNHZYXHNSA-N 2 0 316.445 2.647 20 0 DFADRP Cc1ccc(C[NH2+][C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)cn1 ZINC000422896540 296352587 /nfs/dbraw/zinc/35/25/87/296352587.db2.gz IMYBAUGSCLHZAB-HKUYNNGSSA-N 2 0 309.413 2.736 20 0 DFADRP CCCCOc1ccc(CC[NH2+][C@@H]2CCOC[C@H]2[C@@H](C)[NH3+])cc1 ZINC000422904038 296353841 /nfs/dbraw/zinc/35/38/41/296353841.db2.gz WTBUYUGYAMUVQC-AYOQOUSVSA-N 2 0 320.477 2.750 20 0 DFADRP C[C@H]([NH2+][C@H]1CCCN(Cc2c(F)cccc2F)C1)[C@@H]1CC[NH2+]C1 ZINC000422906484 296354292 /nfs/dbraw/zinc/35/42/92/296354292.db2.gz JWCYKOPVLVEYAK-ZNMIVQPWSA-N 2 0 323.431 2.517 20 0 DFADRP CSC1(C[NH2+][C@@H](C)C[C@@H]2CCCCC[NH2+]2)CCOCC1 ZINC000422917261 296355475 /nfs/dbraw/zinc/35/54/75/296355475.db2.gz FSXJRUGSYOBPLF-GJZGRUSLSA-N 2 0 300.512 2.799 20 0 DFADRP CC[NH+](CC)[C@@H](CNC(=O)[C@]1(C)CCC[NH2+]C1)c1ccsc1 ZINC000119968062 195071376 /nfs/dbraw/zinc/07/13/76/195071376.db2.gz WYCPLXXFSJIOOR-DOTOQJQBSA-N 2 0 323.506 2.637 20 0 DFADRP CC[NH+](CC)[C@@H](CNC(=O)[C@@]1(C)CCC[NH2+]C1)c1ccsc1 ZINC000119968386 195072140 /nfs/dbraw/zinc/07/21/40/195072140.db2.gz WYCPLXXFSJIOOR-RDJZCZTQSA-N 2 0 323.506 2.637 20 0 DFADRP C[C@H](C[C@@H]1COCC[NH2+]1)N[C@H](C)c1c(F)cccc1Cl ZINC000422919528 296355794 /nfs/dbraw/zinc/35/57/94/296355794.db2.gz JWVCRFIVQLEDFY-IJLUTSLNSA-N 2 0 300.805 2.897 20 0 DFADRP COc1ccc(Cl)cc1N1CC[C@H]([NH2+][C@H](C)[C@H]2CC[NH2+]C2)C1 ZINC000422911467 296355001 /nfs/dbraw/zinc/35/50/01/296355001.db2.gz SXIVMPCFLDMANL-IPYPFGDCSA-N 2 0 323.868 2.515 20 0 DFADRP [NH3+]C[C@H]1CCC[C@H]1[NH2+]CCc1nc2ccccc2n1C(F)F ZINC000422911206 296355090 /nfs/dbraw/zinc/35/50/90/296355090.db2.gz KHEVIUUXWWSHOP-VXGBXAGGSA-N 2 0 308.376 2.691 20 0 DFADRP COC[C@H](CCC[NH3+])[NH2+][C@@H]1COc2c1ccc(Cl)c2Cl ZINC000422917313 296355150 /nfs/dbraw/zinc/35/51/50/296355150.db2.gz CZXRVTPFOSZRNF-JOYOIKCWSA-N 2 0 319.232 2.770 20 0 DFADRP CC[C@@H]([NH2+]CCCOc1cccc(OC)c1)[C@@H]1CCCC[NH2+]1 ZINC000422926880 296356480 /nfs/dbraw/zinc/35/64/80/296356480.db2.gz XTEDSRZYYSBKMD-MSOLQXFVSA-N 2 0 306.450 2.974 20 0 DFADRP CC[C@H](Cc1ccccc1Br)[NH2+][C@@H](C)C1C[NH2+]C1 ZINC000422928202 296356543 /nfs/dbraw/zinc/35/65/43/296356543.db2.gz JLYXNRRATFLWPK-SMDDNHRTSA-N 2 0 311.267 2.968 20 0 DFADRP Cc1sc(CC[NH2+][C@H](C)C2C[NH2+]C2)nc1-c1ccccc1 ZINC000422930325 296356811 /nfs/dbraw/zinc/35/68/11/296356811.db2.gz SWLRSPUEPCWNLV-GFCCVEGCSA-N 2 0 301.459 2.859 20 0 DFADRP CC[NH+](CC)CCCC1CC[NH+](Cc2cncc(OC)n2)CC1 ZINC000625314349 399517232 /nfs/dbraw/zinc/51/72/32/399517232.db2.gz CVGTZZJEELIJFA-UHFFFAOYSA-N 2 0 320.481 2.819 20 0 DFADRP C[C@H]1C[C@@H](Nc2nccc(N3Cc4ccccc4C3)n2)CC[N@@H+]1C ZINC000623995054 399517637 /nfs/dbraw/zinc/51/76/37/399517637.db2.gz LXYQSAKYIJALKF-YOEHRIQHSA-N 2 0 323.444 2.891 20 0 DFADRP [NH3+]C[C@@H]1CCC[C@H]1[NH2+]Cc1ccc(C(=O)N2CCCCC2)cc1 ZINC000422928058 296356377 /nfs/dbraw/zinc/35/63/77/296356377.db2.gz IQOYTTXPIIPGKU-ZWKOTPCHSA-N 2 0 315.461 2.530 20 0 DFADRP COc1cc(OC)cc(OCCC[NH2+][C@@H]2CCCCC[C@H]2[NH3+])c1 ZINC000422929025 296356404 /nfs/dbraw/zinc/35/64/04/296356404.db2.gz NYFNCJCQPJFKTG-QZTJIDSGSA-N 2 0 322.449 2.722 20 0 DFADRP C[C@H](CCC[NH3+])[NH2+]Cc1ccccc1C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000422940115 296358154 /nfs/dbraw/zinc/35/81/54/296358154.db2.gz IRMSHBJWSSYCPM-BRWVUGGUSA-N 3 0 319.493 2.513 20 0 DFADRP CC(C)c1noc(CCC[NH2+][C@@H]2C[C@H]([NH3+])c3ccccc32)n1 ZINC000422938097 296358391 /nfs/dbraw/zinc/35/83/91/296358391.db2.gz PIOYIXUIUMBWIR-LSDHHAIUSA-N 2 0 300.406 2.860 20 0 DFADRP CC(C)c1noc(CCC[NH2+][C@@H](Cc2ccccc2)[C@H](C)[NH3+])n1 ZINC000422943622 296358576 /nfs/dbraw/zinc/35/85/76/296358576.db2.gz YNSNNRPIOOOPIH-HOCLYGCPSA-N 2 0 316.449 2.674 20 0 DFADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]CCOc1cccc(F)c1 ZINC000422935796 296357501 /nfs/dbraw/zinc/35/75/01/296357501.db2.gz DRZHVOWGTLVSMU-GFCCVEGCSA-N 2 0 303.381 2.717 20 0 DFADRP C[C@@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]CCOc1ccc(F)cc1 ZINC000422934427 296357560 /nfs/dbraw/zinc/35/75/60/296357560.db2.gz FWFSJRLVHUVPAY-KDOFPFPSSA-N 2 0 302.393 2.753 20 0 DFADRP C[C@@H]1CC[NH2+]C[C@@H]1NCCc1coc(-c2ccc(F)cc2)n1 ZINC000422946040 296359051 /nfs/dbraw/zinc/35/90/51/296359051.db2.gz ODOAGPGWNZUHKM-WBMJQRKESA-N 2 0 303.381 2.611 20 0 DFADRP CCCCNC(=O)c1ccc(C[NH2+][C@@H]2CCCC[C@H]2C[NH3+])cc1 ZINC000422944719 296359070 /nfs/dbraw/zinc/35/90/70/296359070.db2.gz SLEXZVRKZMWEHV-ZWKOTPCHSA-N 2 0 317.477 2.824 20 0 DFADRP C[C@H]([NH2+]CCCC(=O)Nc1ccc(Cl)cc1)[C@@H]1CCC[NH2+]1 ZINC000422944038 296359076 /nfs/dbraw/zinc/35/90/76/296359076.db2.gz MARYCJKJFNSUKC-WFASDCNBSA-N 2 0 309.841 2.789 20 0 DFADRP COc1cccc([C@H](CN[C@H]2CC[N@@H+]3CCC[C@H]3C2)[NH+](C)C)c1 ZINC000269955436 208006141 /nfs/dbraw/zinc/00/61/41/208006141.db2.gz KGWGIWLZBMHTIG-LNLFQRSKSA-N 2 0 317.477 2.514 20 0 DFADRP C[N@H+](CCCN[C@H]1CC[NH+]2CCC[C@H]2C1)Cc1ccccc1 ZINC000269989979 208041567 /nfs/dbraw/zinc/04/15/67/208041567.db2.gz UNXVRGYAUKRFQB-OALUTQOASA-N 2 0 301.478 2.725 20 0 DFADRP C[C@@H]([NH3+])C[C@@H](C)[NH2+]CCc1nc(-c2ccc(Cl)cc2)no1 ZINC000422955386 296360617 /nfs/dbraw/zinc/36/06/17/296360617.db2.gz JDTYXXWFMYBYRD-GHMZBOCLSA-N 2 0 308.813 2.648 20 0 DFADRP C[C@@H]([NH2+]CC1CC[NH+](Cc2ccncc2)CC1)[C@@H]1CCCCO1 ZINC000624012213 399522897 /nfs/dbraw/zinc/52/28/97/399522897.db2.gz UMFYCNXCQVBJAF-APWZRJJASA-N 2 0 317.477 2.841 20 0 DFADRP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]CCCc1nc(-c2ccncc2)cs1 ZINC000422956960 296360760 /nfs/dbraw/zinc/36/07/60/296360760.db2.gz RSNZYPAAUPDNJY-GJZGRUSLSA-N 2 0 316.474 2.855 20 0 DFADRP [NH3+]C[C@H]1CCC[C@@H]1[NH2+]CCOc1ccccc1C(F)(F)F ZINC000422958079 296361008 /nfs/dbraw/zinc/36/10/08/296361008.db2.gz OLTBFTNVIIHZJQ-YPMHNXCESA-N 2 0 302.340 2.801 20 0 DFADRP C[C@H]([NH3+])[C@H]1COCC[C@H]1[NH2+]CCc1cccc(Cl)c1Cl ZINC000422950115 296360120 /nfs/dbraw/zinc/36/01/20/296360120.db2.gz VHSOEYXOAFAEKK-ZKYQVNSYSA-N 2 0 317.260 2.878 20 0 DFADRP [NH3+][C@@H]1CCCCC[C@H]1[NH2+]CCCC(=O)N1CCc2ccccc21 ZINC000422953344 296360225 /nfs/dbraw/zinc/36/02/25/296360225.db2.gz FIJXUXYHSZININ-IAGOWNOFSA-N 2 0 315.461 2.606 20 0 DFADRP Cc1nccn1C[C@H](C)C[NH2+][C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1 ZINC000422953335 296360290 /nfs/dbraw/zinc/36/02/90/296360290.db2.gz FHJLFCLLXNCMRV-BZZMCLGOSA-N 2 0 304.482 2.728 20 0 DFADRP FC(F)(F)c1ccccc1OCC[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000422954476 296360331 /nfs/dbraw/zinc/36/03/31/296360331.db2.gz HPECGQODUHCNTG-FUNVUKJBSA-N 2 0 314.351 2.957 20 0 DFADRP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]C[C@H](c1ccco1)N1CCCCC1 ZINC000422963136 296361786 /nfs/dbraw/zinc/36/17/86/296361786.db2.gz HQAVAGGODPSRMF-GVDBMIGSSA-N 2 0 305.466 2.914 20 0 DFADRP CC(C)[N@H+](C)CCCN[C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422969295 296363133 /nfs/dbraw/zinc/36/31/33/296363133.db2.gz ZOLSICKVHBKRRQ-PKOBYXMFSA-N 2 0 317.477 2.562 20 0 DFADRP C[C@@H]([NH2+]Cc1ccnc(OC2CCCCC2)c1)[C@H]1CC[NH2+]C1 ZINC000422969675 296363139 /nfs/dbraw/zinc/36/31/39/296363139.db2.gz DDLWKARGSNILFD-ZBFHGGJFSA-N 2 0 303.450 2.881 20 0 DFADRP C[C@H]([NH3+])[C@H]1COCC[C@@H]1[NH2+]Cc1ccc(-c2ccccc2)o1 ZINC000422966747 296362292 /nfs/dbraw/zinc/36/22/92/296362292.db2.gz AMLHXQGDVYIPBL-XKQJLSEDSA-N 2 0 300.402 2.789 20 0 DFADRP Cc1nn(-c2ccccc2)cc1CCC[NH2+][C@H](C)CCC[NH3+] ZINC000422964871 296362336 /nfs/dbraw/zinc/36/23/36/296362336.db2.gz MWZMQHBCTJATSD-OAHLLOKOSA-N 2 0 300.450 2.830 20 0 DFADRP C[C@H](NC[C@@H](c1ccco1)[NH+]1CCCCC1)[C@@H]1CCCC[NH2+]1 ZINC000422967923 296362619 /nfs/dbraw/zinc/36/26/19/296362619.db2.gz UZJBNXFMYNYWBK-ULQDDVLXSA-N 2 0 305.466 2.927 20 0 DFADRP COCC[N@H+](C)CCCC1CC[NH+](Cc2cccc(C)n2)CC1 ZINC000347567468 285080791 /nfs/dbraw/zinc/08/07/91/285080791.db2.gz NCTQLMJAMBVNMR-UHFFFAOYSA-N 2 0 319.493 2.960 20 0 DFADRP C[C@@H](CCC[NH3+])[NH2+]C[C@H](CO)Cc1ccc(C(F)(F)F)cc1 ZINC000422989412 296364463 /nfs/dbraw/zinc/36/44/63/296364463.db2.gz LMXDHKAYIXOWMS-GXTWGEPZSA-N 2 0 318.383 2.573 20 0 DFADRP COc1cccc([C@@H](C[NH2+][C@@H](C)C2CC[NH+](C)CC2)OC)c1 ZINC000624031276 399529907 /nfs/dbraw/zinc/52/99/07/399529907.db2.gz BQXIKARIOVXACT-KBXCAEBGSA-N 2 0 306.450 2.703 20 0 DFADRP C[C@H]([NH3+])[C@@H]1COCC[C@H]1[NH2+]CCOc1cccc(C(C)(C)C)c1 ZINC000422983282 296363962 /nfs/dbraw/zinc/36/39/62/296363962.db2.gz SPAOZKALLBUYTK-JCGIZDLHSA-N 2 0 320.477 2.705 20 0 DFADRP Cc1cc(C[C@H](C)[NH2+][C@@H](C)[C@@H]2CC[NH2+]C2)n(-c2ccccc2)n1 ZINC000422995578 296365070 /nfs/dbraw/zinc/36/50/70/296365070.db2.gz KKSCRQFUYFINFC-BHYGNILZSA-N 2 0 312.461 2.699 20 0 DFADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]CCC[C@@H]1CCCC[C@H]1O ZINC000422995212 296365166 /nfs/dbraw/zinc/36/51/66/296365166.db2.gz XJEYXESMBGSHIK-DHSIGJKJSA-N 2 0 305.466 2.831 20 0 DFADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]CCC[C@@H]1CCCC[C@@H]1O ZINC000422995217 296365259 /nfs/dbraw/zinc/36/52/59/296365259.db2.gz XJEYXESMBGSHIK-YEWWUXTCSA-N 2 0 305.466 2.831 20 0 DFADRP COc1ccc(COCC[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)cc1 ZINC000422990808 296364547 /nfs/dbraw/zinc/36/45/47/296364547.db2.gz ODSHWTDTTNFYRI-OTWHNJEPSA-N 2 0 318.461 2.722 20 0 DFADRP COc1ccc(COCC[NH2+][C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)cc1 ZINC000422990806 296364617 /nfs/dbraw/zinc/36/46/17/296364617.db2.gz ODSHWTDTTNFYRI-GUDVDZBRSA-N 2 0 318.461 2.722 20 0 DFADRP [NH3+]C[C@H]1CCCC[C@H]1[NH2+]CCOc1ccc(C(F)(F)F)cn1 ZINC000422989396 296364654 /nfs/dbraw/zinc/36/46/54/296364654.db2.gz LKJCMEXLEZSQJQ-DGCLKSJQSA-N 2 0 317.355 2.586 20 0 DFADRP COc1cccc(COCC[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)c1 ZINC000423002821 296365862 /nfs/dbraw/zinc/36/58/62/296365862.db2.gz JXTNMBLYMKOZPK-OTWHNJEPSA-N 2 0 318.461 2.722 20 0 DFADRP C[N@@H+]1CCC[C@H]2CN(c3nc4ccccc4n4cncc34)CC[C@H]21 ZINC000624041028 399533343 /nfs/dbraw/zinc/53/33/43/399533343.db2.gz HBSPNUSXHJSTAW-GOEBONIOSA-N 2 0 321.428 2.803 20 0 DFADRP [NH3+][C@H]1CCCCC[C@H]1[NH2+]CC1CCN(c2cc[nH+]cc2)CC1 ZINC000422997693 296365521 /nfs/dbraw/zinc/36/55/21/296365521.db2.gz VKBDKSBXNLZXLF-ZWKOTPCHSA-N 3 0 302.466 2.548 20 0 DFADRP C[N@H+](Cc1ccco1)Cc1ccccc1CN[C@@H]1CCC[C@@H]1[NH3+] ZINC000423009390 296367099 /nfs/dbraw/zinc/36/70/99/296367099.db2.gz VLIDSSYPPVABKL-RBUKOAKNSA-N 2 0 313.445 2.881 20 0 DFADRP c1nc(C2CC2)ncc1CC[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1 ZINC000423008465 296367138 /nfs/dbraw/zinc/36/71/38/296367138.db2.gz AJIVELHKDFROLH-OKZBNKHCSA-N 2 0 314.477 2.797 20 0 DFADRP C[C@H]([NH2+]CC[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1)[C@@H]1CC[NH2+]C1 ZINC000423006774 296366697 /nfs/dbraw/zinc/36/66/97/296366697.db2.gz WIDPQDBNBPTAFX-PIKOESSRSA-N 3 0 315.505 2.875 20 0 DFADRP CCC[C@H](CCO)C[NH2+][C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423006363 296366731 /nfs/dbraw/zinc/36/67/31/296366731.db2.gz OJCLZQHZMYXDDE-HHXXYDBFSA-N 2 0 318.461 2.631 20 0 DFADRP COc1cccc(CC[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)n1 ZINC000423009630 296366944 /nfs/dbraw/zinc/36/69/44/296366944.db2.gz WBDNGVMRJNAWQS-IXDOHACOSA-N 2 0 303.450 2.533 20 0 DFADRP CN1CC[C@H]([NH2+][C@@H]2CCC[NH2+]CC2)[C@H]1c1ccc(Cl)cc1 ZINC000423017984 296368359 /nfs/dbraw/zinc/36/83/59/296368359.db2.gz XUSWPAMHWIXJEZ-IXDOHACOSA-N 2 0 307.869 2.817 20 0 DFADRP CC[C@H]([NH2+][C@@H](C)CCC[NH3+])[C@H](c1ccc(C)cc1)n1cncn1 ZINC000423011046 296367487 /nfs/dbraw/zinc/36/74/87/296367487.db2.gz ICDSQDANRHZKCP-SZMVWBNQSA-N 2 0 315.465 2.672 20 0 DFADRP COc1ccc(C[C@H](C)C[NH2+][C@H]2CCC[NH2+]CC2)cc1OC ZINC000423026946 296369115 /nfs/dbraw/zinc/36/91/15/296369115.db2.gz QNVACOQEKWZENZ-HOCLYGCPSA-N 2 0 306.450 2.614 20 0 DFADRP COC[C@H](CCC[NH3+])[NH2+][C@@H]1CCCOc2c(Cl)cccc21 ZINC000423026021 296369120 /nfs/dbraw/zinc/36/91/20/296369120.db2.gz MTDUUXZMODDLET-SWLSCSKDSA-N 2 0 312.841 2.897 20 0 DFADRP COC[C@@H](CCC[NH3+])[NH2+][C@@H]1CCCOc2cc(Cl)ccc21 ZINC000423024038 296369149 /nfs/dbraw/zinc/36/91/49/296369149.db2.gz ILAHPLCZAKTPCX-UKRRQHHQSA-N 2 0 312.841 2.897 20 0 DFADRP COC[C@@H](CCC[NH3+])[NH2+][C@H]1CCCOc2cc(Cl)ccc21 ZINC000423024037 296369181 /nfs/dbraw/zinc/36/91/81/296369181.db2.gz ILAHPLCZAKTPCX-HIFRSBDPSA-N 2 0 312.841 2.897 20 0 DFADRP C[C@H](CCCC[NH3+])[NH2+][C@@H]1CC(=O)N(C)[C@H]1c1ccc(Cl)cc1 ZINC000423026913 296369419 /nfs/dbraw/zinc/36/94/19/296369419.db2.gz QLISSKZRWNGUHY-VMGRFDJRSA-N 2 0 323.868 2.719 20 0 DFADRP CC(C)[NH+]1CCN(c2cccc(N[C@@H]3CCC[C@H]3C[NH3+])c2)CC1 ZINC000423021586 296368723 /nfs/dbraw/zinc/36/87/23/296368723.db2.gz CKEFAQWUELGMOM-QFBILLFUSA-N 2 0 316.493 2.756 20 0 DFADRP CC(C)[NH+]1CCN(c2cccc(N[C@@H]3C[NH2+]CC[C@H]3C)c2)CC1 ZINC000423022398 296368735 /nfs/dbraw/zinc/36/87/35/296368735.db2.gz FDRUWERELOPLFF-VQIMIIECSA-N 2 0 316.493 2.627 20 0 DFADRP C[C@H](CCCC[NH3+])[NH2+][C@H]1CCN(C)[C@H]1c1ccc(F)c(F)c1 ZINC000423023122 296368844 /nfs/dbraw/zinc/36/88/44/296368844.db2.gz JANDKHQEHQELAF-DQYPLSBCSA-N 2 0 311.420 2.817 20 0 DFADRP C[C@H](CCC[NH3+])[NH2+][C@H](CCO)c1ccccc1Br ZINC000423033539 296370111 /nfs/dbraw/zinc/37/01/11/296370111.db2.gz OPEDPSRIDNLFSE-BXUZGUMPSA-N 2 0 315.255 2.590 20 0 DFADRP C[C@H]([NH3+])[C@@H](Cc1ccccc1)NCC1(C[NH+](C)C)CCCC1 ZINC000423033384 296370223 /nfs/dbraw/zinc/37/02/23/296370223.db2.gz GLIZTYCBGMASRY-FUHWJXTLSA-N 2 0 303.494 2.657 20 0 DFADRP COCC[C@H](Cc1ccco1)[NH2+][C@H](C)c1ccc(C[NH3+])nc1C ZINC000423034910 296370314 /nfs/dbraw/zinc/37/03/14/296370314.db2.gz QQVVPTGDKNSVJI-UKRRQHHQSA-N 2 0 317.433 2.740 20 0 DFADRP C[C@H](CCC[NH3+])[NH2+][C@@H](CCO)c1ccccc1Br ZINC000423033541 296370352 /nfs/dbraw/zinc/37/03/52/296370352.db2.gz OPEDPSRIDNLFSE-RISCZKNCSA-N 2 0 315.255 2.590 20 0 DFADRP CCC(CC)[C@@H]1C[C@H]([NH2+][C@@H]2CCOC[C@H]2[C@@H]2CCC[NH2+]2)CCO1 ZINC000423040162 296371102 /nfs/dbraw/zinc/37/11/02/296371102.db2.gz GSJRWLLOGBCAQA-SPOLIRPYSA-N 2 0 324.509 2.717 20 0 DFADRP CCOC(=O)C1([C@H](C)[NH2+][C@@H]2CC[C@H](C)[C@H](C)C2)CC[NH2+]CC1 ZINC000423037119 296370475 /nfs/dbraw/zinc/37/04/75/296370475.db2.gz MLTJYMQKVNMSIN-XUWVNRHRSA-N 2 0 310.482 2.722 20 0 DFADRP Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)[NH2+][C@H](C)C[C@H](C)[NH3+] ZINC000423039226 296370545 /nfs/dbraw/zinc/37/05/45/296370545.db2.gz FBZJRDBIUQUTGU-AEJSXWLSSA-N 2 0 306.376 2.839 20 0 DFADRP C[C@H]([NH2+][C@@H]1CCN(c2ccc(F)c(Cl)c2)C1)[C@@H]1CC[NH2+]C1 ZINC000423038629 296370685 /nfs/dbraw/zinc/37/06/85/296370685.db2.gz DDZPNOPBFVTUOJ-YNEHKIRRSA-N 2 0 311.832 2.645 20 0 DFADRP CC(C)(C)[C@H](CCO)[NH2+][C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423039799 296370708 /nfs/dbraw/zinc/37/07/08/296370708.db2.gz RTDQEZLRWXGGBT-AYBZRNKSSA-N 2 0 318.461 2.629 20 0 DFADRP C[C@H](CCC[NH3+])[NH2+][C@H](c1ccn(C)n1)c1ccc(Cl)cc1 ZINC000423037312 296370712 /nfs/dbraw/zinc/37/07/12/296370712.db2.gz MPTDQKWZUKBDHX-WBMJQRKESA-N 2 0 306.841 2.880 20 0 DFADRP COc1cccc([C@@H]2[C@@H]([NH2+][C@H](C)CCC[NH3+])CCN2C2CC2)c1 ZINC000423044698 296371361 /nfs/dbraw/zinc/37/13/61/296371361.db2.gz RHSKTPNKVIMCOU-MDASCCDHSA-N 2 0 317.477 2.690 20 0 DFADRP CC(C)N1CC[C@H]([NH2+]C2CC[NH2+]CC2)[C@@H]1c1ccc(F)c(F)c1 ZINC000423049862 296371940 /nfs/dbraw/zinc/37/19/40/296371940.db2.gz YFDFWSXOJNKOMJ-ROUUACIJSA-N 2 0 323.431 2.830 20 0 DFADRP C[C@H](N[C@@H](C)[C@@H]1CCC[NH2+]1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000423049469 296372001 /nfs/dbraw/zinc/37/20/01/296372001.db2.gz XRYILYJTMLCWTA-CAMMJAKZSA-N 2 0 301.478 2.627 20 0 DFADRP COc1ccc([C@H](NCC2([NH+](C)C)CCC2)[C@@H]2CCC[NH2+]2)cc1 ZINC000423053869 296372364 /nfs/dbraw/zinc/37/23/64/296372364.db2.gz BEALIVQJIDJTHN-ROUUACIJSA-N 2 0 317.477 2.562 20 0 DFADRP C[C@@H](CCC1CCCCC1)[NH2+]CCCN1CCC[C@H]1C(N)=O ZINC000624085511 399548363 /nfs/dbraw/zinc/54/83/63/399548363.db2.gz ZDZBRUFHTGHSET-RDJZCZTQSA-N 2 0 309.498 2.665 20 0 DFADRP C[C@@H]([NH2+][C@@H](C)[C@@H]1CCC[NH2+]C1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000423051071 296372448 /nfs/dbraw/zinc/37/24/48/296372448.db2.gz ZTLDLFOZVFRSIC-CUDHKJQZSA-N 3 0 315.505 2.875 20 0 DFADRP CCO[C@@H]1C[C@H]([NH2+][C@H](C)C[C@H]2CCCCC[NH2+]2)C12CCOCC2 ZINC000423054379 296372669 /nfs/dbraw/zinc/37/26/69/296372669.db2.gz UQTLDASKTPNQDL-ZJPYXAASSA-N 2 0 324.509 2.861 20 0 DFADRP Cn1nc(CC[NH2+][C@H]2C[C@@H]([NH3+])c3ccccc32)c2ccccc21 ZINC000423048761 296372150 /nfs/dbraw/zinc/37/21/50/296372150.db2.gz IRXXZZTZAVGMFN-AEFFLSMTSA-N 2 0 306.413 2.850 20 0 DFADRP COC[C@@H](CCC[NH3+])[NH2+]C[C@@H](c1ccccc1)C(F)(F)F ZINC000423059551 296373410 /nfs/dbraw/zinc/37/34/10/296373410.db2.gz FTZKZIGWRVYYTA-KGLIPLIRSA-N 2 0 304.356 2.676 20 0 DFADRP Cc1cc(C(F)(F)F)ccc1C[NH2+][C@@H]1CCOC[C@@H]1[C@@H](C)[NH3+] ZINC000423062108 296373441 /nfs/dbraw/zinc/37/34/41/296373441.db2.gz SKYRPFNUUMADKY-KCPJHIHWSA-N 2 0 316.367 2.856 20 0 DFADRP CSCc1cccc(C[NH2+][C@@H]2CCOC[C@@H]2[C@H]2CCC[NH2+]2)c1 ZINC000423060082 296373588 /nfs/dbraw/zinc/37/35/88/296373588.db2.gz NLPRBPKLDHZBHX-KZNAEPCWSA-N 2 0 320.502 2.796 20 0 DFADRP [NH3+][C@H]1CCCCC[C@H]1[NH2+]CC1CCN(CC(F)(F)F)CC1 ZINC000423065461 296374220 /nfs/dbraw/zinc/37/42/20/296374220.db2.gz UMNQNRCQMSRHKA-UONOGXRCSA-N 2 0 307.404 2.510 20 0 DFADRP COC[C@H](CCC[NH3+])[NH2+][C@@H](C)c1ccc(Br)s1 ZINC000423062708 296373743 /nfs/dbraw/zinc/37/37/43/296373743.db2.gz UTBMWCILFBRROI-UWVGGRQHSA-N 2 0 321.284 2.915 20 0 DFADRP C[C@H]([NH2+][C@@H]1CCN(c2ccc(Cl)cc2Cl)C1)C1C[NH2+]C1 ZINC000423075477 296375412 /nfs/dbraw/zinc/37/54/12/296375412.db2.gz WYOSFNXMMSFCOZ-GXFFZTMASA-N 2 0 314.260 2.770 20 0 DFADRP [NH3+]C[C@H]1CCC[C@H]1[NH2+]CCCOc1ccc(C(F)(F)F)cn1 ZINC000423068847 296374646 /nfs/dbraw/zinc/37/46/46/296374646.db2.gz CXMQDGXRVNZOHJ-DGCLKSJQSA-N 2 0 317.355 2.586 20 0 DFADRP CCN(CC[NH2+][C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1)CCC(F)(F)F ZINC000423067880 296374693 /nfs/dbraw/zinc/37/46/93/296374693.db2.gz ALTMGCQLVLYVLP-RBSFLKMASA-N 2 0 321.431 2.771 20 0 DFADRP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]C[C@](C)(O)C1CCCCC1 ZINC000423082992 296376301 /nfs/dbraw/zinc/37/63/01/296376301.db2.gz XZJIRSOCOCPKAJ-IPELMVKDSA-N 2 0 304.478 2.866 20 0 DFADRP Cc1ccccc1[C@H](C)[NH2+]Cc1ccnc(N2CC[NH+](C)CC2)c1 ZINC000158999221 197317934 /nfs/dbraw/zinc/31/79/34/197317934.db2.gz NSZQLMCGVPPFLK-KRWDZBQOSA-N 2 0 324.472 2.993 20 0 DFADRP C[C@@H](NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1)[C@H]1CCC[NH2+]1 ZINC000423080345 296375873 /nfs/dbraw/zinc/37/58/73/296375873.db2.gz ABWXKBHENHXOOD-GALLPEHLSA-N 2 0 319.415 2.522 20 0 DFADRP [NH3+]C[C@@H]1CCC[C@H]1[NH2+]C1CC(N2CCC(C(F)(F)F)CC2)C1 ZINC000423088744 296377104 /nfs/dbraw/zinc/37/71/04/296377104.db2.gz SOLVLXHHACFRNJ-VYESFELBSA-N 2 0 319.415 2.509 20 0 DFADRP Fc1cccc([C@H]2C[C@H]([NH2+][C@@H]3CCOC[C@H]3[C@H]3CCC[NH2+]3)C2)c1 ZINC000423096470 296377872 /nfs/dbraw/zinc/37/78/72/296377872.db2.gz OXVNAFMOVOJBNV-GPFWEFOESA-N 2 0 318.436 2.818 20 0 DFADRP CC[C@@H](NC[C@@H]1CC[N@H+](Cc2ccccc2)C1)[C@@H]1CCC[NH2+]1 ZINC000423090707 296377267 /nfs/dbraw/zinc/37/72/67/296377267.db2.gz YITDNFZIZDXHKT-OTWHNJEPSA-N 2 0 301.478 2.629 20 0 DFADRP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1[NH2+][C@@H]1CC[C@H](c2cccc(F)c2)C1 ZINC000423092046 296377457 /nfs/dbraw/zinc/37/74/57/296377457.db2.gz AGJPSZLQVHIASG-QZOZAFJCSA-N 2 0 306.425 2.804 20 0 DFADRP CSc1ccc(CC[NH2+][C@@H]2CCOC[C@H]2[C@@H]2CCC[NH2+]2)cc1 ZINC000423092435 296377499 /nfs/dbraw/zinc/37/74/99/296377499.db2.gz BWNUHVSCFLMODF-OKZBNKHCSA-N 2 0 320.502 2.698 20 0 DFADRP CC(C)[C@H](C(=O)NC[C@@H]1CC[N@@H+](C(C)(C)C)C1)[NH+]1CCCCC1 ZINC000616994074 399557218 /nfs/dbraw/zinc/55/72/18/399557218.db2.gz UDZCWIUGYPZMCF-DLBZAZTESA-N 2 0 323.525 2.734 20 0 DFADRP Fc1ccccc1CCC[NH2+][C@@H]1CCOC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000423097349 296377775 /nfs/dbraw/zinc/37/77/75/296377775.db2.gz QTIQLSIUTCEIHF-RYQLBKOJSA-N 2 0 306.425 2.505 20 0 DFADRP C[NH+](C)Cc1ccsc1C(=O)NC[C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000616996961 399559283 /nfs/dbraw/zinc/55/92/83/399559283.db2.gz RNAVKXHAWYMAET-CYBMUJFWSA-N 2 0 323.506 2.660 20 0 DFADRP CCS(=O)(=O)c1ccc([C@@H](C)[NH2+][C@H](C)CCCC[NH3+])cc1 ZINC000423109641 296379261 /nfs/dbraw/zinc/37/92/61/296379261.db2.gz STQSJGPUNCPQNJ-ZIAGYGMSSA-N 2 0 312.479 2.648 20 0 DFADRP c1csc(N2CCC([NH2+][C@@H]3CCC[C@H]3[C@H]3CCC[NH2+]3)CC2)n1 ZINC000423108110 296379395 /nfs/dbraw/zinc/37/93/95/296379395.db2.gz SSYLZFCIMWLYMF-ARFHVFGLSA-N 2 0 320.506 2.622 20 0 DFADRP C[C@H]([NH2+]C[C@@H]1CCCC[N@H+](C)C1)c1ccc(-n2cncn2)cc1 ZINC000624120366 399560052 /nfs/dbraw/zinc/56/00/52/399560052.db2.gz XJSQJNSLRLFLSY-HOTGVXAUSA-N 2 0 313.449 2.650 20 0 DFADRP C[N@@H+]1CCCC[C@@H](C[NH2+][C@@H]2CCCN(Cc3ccccc3)C2)C1 ZINC000624121593 399560543 /nfs/dbraw/zinc/56/05/43/399560543.db2.gz YIKCDMBAHCWSBK-VQTJNVASSA-N 2 0 315.505 2.973 20 0 DFADRP CC1(C)SC[C@@H]1[NH2+][C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423113967 296380182 /nfs/dbraw/zinc/38/01/82/296380182.db2.gz ZLUNVQIFUYMFAG-UKPHBRMFSA-N 2 0 304.459 2.726 20 0 DFADRP [NH3+]C[C@H]1CCC[C@@H]1[NH2+]Cc1ccncc1OCc1ccccc1 ZINC000423114021 296380140 /nfs/dbraw/zinc/38/01/40/296380140.db2.gz ZTGUIKIXIRUKHQ-AEFFLSMTSA-N 2 0 311.429 2.878 20 0 DFADRP FC1(F)CCC[C@H](C[NH2+][C@@H]2CCOC[C@@H]2[C@H]2CCC[NH2+]2)C1 ZINC000423116403 296380300 /nfs/dbraw/zinc/38/03/00/296380300.db2.gz PSCMNFKTZXPKJU-GBJTYRQASA-N 2 0 302.409 2.559 20 0 DFADRP COCC1(C[NH2+][C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)CCC1 ZINC000423116452 296380466 /nfs/dbraw/zinc/38/04/66/296380466.db2.gz PWLCBZURJIKYMC-VQIMIIECSA-N 2 0 316.445 2.649 20 0 DFADRP C[C@@H](C[C@H]1COCCN1)[NH2+]C[C@H]1CCCC[C@H]1C(F)(F)F ZINC000423118453 296380578 /nfs/dbraw/zinc/38/05/78/296380578.db2.gz AQCPSUTWGKUKNY-RFQIPJPRSA-N 2 0 308.388 2.712 20 0 DFADRP CC(C)Oc1ccc([C@@H](C[NH2+][C@@H](C)CCC[NH3+])N(C)C)cc1 ZINC000423118514 296380615 /nfs/dbraw/zinc/38/06/15/296380615.db2.gz AXLLLRPWSOLZHO-MAUKXSAKSA-N 2 0 307.482 2.794 20 0 DFADRP C[C@@H]1CC[NH2+]C[C@@H]1NC[C@H](Cc1ccccc1)C(F)(F)F ZINC000423121143 296380632 /nfs/dbraw/zinc/38/06/32/296380632.db2.gz HYWUFHSYMDTXAT-SNPRPXQTSA-N 2 0 300.368 2.995 20 0 DFADRP Cn1nccc1[C@@H]1CCC[C@@H]([NH2+]C[C@H]2CCCC[N@H+](C)C2)C1 ZINC000624123951 399562941 /nfs/dbraw/zinc/56/29/41/399562941.db2.gz UPSNWPZTDSPNIF-BRWVUGGUSA-N 2 0 304.482 2.768 20 0 DFADRP COC[C@H]([NH2+]C[C@@H]1CCC[N@H+](Cc2ccccc2)C1)C1CC1 ZINC000309641967 533089714 /nfs/dbraw/zinc/08/97/14/533089714.db2.gz CHTLPFALSHDCAJ-HKUYNNGSSA-N 2 0 302.462 2.913 20 0 DFADRP CC(C)Oc1ccc([C@H](C[NH2+]C2CCC([NH3+])CC2)N(C)C)cc1 ZINC000423123657 296381141 /nfs/dbraw/zinc/38/11/41/296381141.db2.gz LLEHAXMVUHKSAJ-TVPLGVNVSA-N 2 0 319.493 2.936 20 0 DFADRP CC(C)Oc1ccc([C@H](C[NH2+][C@@H](C)C[C@H](C)[NH3+])N(C)C)cc1 ZINC000423122541 296381230 /nfs/dbraw/zinc/38/12/30/296381230.db2.gz JUFGUJYIRLHEBJ-MPGHIAIKSA-N 2 0 307.482 2.792 20 0 DFADRP COCC(C)(C)C[NH2+][C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423128117 296382057 /nfs/dbraw/zinc/38/20/57/296382057.db2.gz KEHXSSGENOOFMW-QAPCUYQASA-N 2 0 304.434 2.505 20 0 DFADRP C([NH2+][C@@H]1CCOC[C@@H]1[C@H]1CCC[NH2+]1)[C@@H]1C[C@H]1C1CCCCC1 ZINC000423129196 296382058 /nfs/dbraw/zinc/38/20/58/296382058.db2.gz FADBUTOTHYIQCL-NTZUZEMLSA-N 2 0 306.494 2.950 20 0 DFADRP C[C@H](CCC[NH3+])[NH2+][C@@H]1CCCN([C@H](C)c2ccccc2F)C1=O ZINC000423131253 296382136 /nfs/dbraw/zinc/38/21/36/296382136.db2.gz HTCNEKQBCVDSPP-CKEIUWERSA-N 2 0 321.440 2.595 20 0 DFADRP CC(C)Oc1ccc([C@H](C[NH2+][C@H]2CCC[C@H]2C[NH3+])N(C)C)cc1 ZINC000423130833 296382154 /nfs/dbraw/zinc/38/21/54/296382154.db2.gz SFNIUBSAVPSKKH-WDSOQIARSA-N 2 0 319.493 2.794 20 0 DFADRP COc1ccc(CC[NH2+][C@@H](C)C[C@@H](C)[NH3+])c(Cl)c1OC ZINC000423129184 296381966 /nfs/dbraw/zinc/38/19/66/296381966.db2.gz DZNGJLIQVAOXCO-MNOVXSKESA-N 2 0 300.830 2.615 20 0 DFADRP CCOC(=O)C1([C@@H](C)[NH2+]C[C@H]2CCCC2(C)C)CC[NH2+]CC1 ZINC000423132658 296382695 /nfs/dbraw/zinc/38/26/95/296382695.db2.gz JRMGMFRUXVBOIQ-HUUCEWRRSA-N 2 0 310.482 2.724 20 0 DFADRP Fc1ccccc1N1CC[C@H]([NH2+][C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)C1 ZINC000423136977 296382920 /nfs/dbraw/zinc/38/29/20/296382920.db2.gz VPRNCSMFIOVXND-UOVPBQLFSA-N 2 0 317.452 2.915 20 0 DFADRP C[C@H](CCC[NH3+])[NH2+][C@@H]1CCCN([C@H](C)c2ccc(F)cc2)C1=O ZINC000423135574 296383093 /nfs/dbraw/zinc/38/30/93/296383093.db2.gz NYFVGXXLSRVCSP-CKEIUWERSA-N 2 0 321.440 2.595 20 0 DFADRP COc1ccc(CC[NH2+]C2CCC([NH3+])CC2)c(Cl)c1OC ZINC000423135984 296383207 /nfs/dbraw/zinc/38/32/07/296383207.db2.gz OUGQLMTUQBTNRR-UHFFFAOYSA-N 2 0 312.841 2.759 20 0 DFADRP C[C@@H]([NH2+][C@@H](C)[C@@H]1CC[NH2+]C1)c1ccc(-n2cccn2)c(F)c1 ZINC000423140524 296383780 /nfs/dbraw/zinc/38/37/80/296383780.db2.gz YVLQQTOLNQRHKS-VNHYZAJKSA-N 2 0 302.397 2.660 20 0 DFADRP c1nc(SC2CCCC2)ncc1CC[NH2+][C@H]1CCC[NH2+]CC1 ZINC000423139262 296383445 /nfs/dbraw/zinc/38/34/45/296383445.db2.gz VBWZDECAXYRBSF-HNNXBMFYSA-N 2 0 320.506 2.786 20 0 DFADRP CC[C@@H](COCC(F)(F)F)[NH2+][C@H](C)c1ccc(C[NH3+])nc1C ZINC000423145762 296384829 /nfs/dbraw/zinc/38/48/29/296384829.db2.gz MIJWRZPSZQPUTG-PWSUYJOCSA-N 2 0 319.371 2.857 20 0 DFADRP C[C@@H](CCC[NH3+])[NH2+][C@@H](CCO)c1cccc(C(F)(F)F)c1 ZINC000423150638 296385310 /nfs/dbraw/zinc/38/53/10/296385310.db2.gz BODOJGUIUHODPV-FZMZJTMJSA-N 2 0 304.356 2.846 20 0 DFADRP c1ccc2c(c1)CC[C@@H]2CC[NH2+][C@@H]1CCOC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000423150004 296385401 /nfs/dbraw/zinc/38/54/01/296385401.db2.gz YJVBXCKXVCRYFR-VBSBHUPXSA-N 2 0 314.473 2.853 20 0 DFADRP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1[NH2+]C[C@H]1CCC[C@@H]1c1ccccc1 ZINC000423156835 296386161 /nfs/dbraw/zinc/38/61/61/296386161.db2.gz LSTXGLIAZWLYTP-DZRGKWQISA-N 2 0 302.462 2.912 20 0 DFADRP COCC[C@H]([NH2+][C@@H](C)C1C[NH2+]C1)c1cccc(C(F)(F)F)c1 ZINC000423158090 296386294 /nfs/dbraw/zinc/38/62/94/296386294.db2.gz WFBQEJSACKKVHQ-NHYWBVRUSA-N 2 0 316.367 2.981 20 0 DFADRP OCC[C@@H]([NH2+][C@H]1CCC[NH2+]CC1)c1cccc(C(F)(F)F)c1 ZINC000423166458 296387316 /nfs/dbraw/zinc/38/73/16/296387316.db2.gz ZGVSPPJLLVBOHU-LSDHHAIUSA-N 2 0 316.367 2.861 20 0 DFADRP CCOC(=O)C1([C@H](C)[NH2+][C@@H](CC)C2CCCC2)CC[NH2+]CC1 ZINC000423166277 296387349 /nfs/dbraw/zinc/38/73/49/296387349.db2.gz VEGBBTOFASLAGV-HOCLYGCPSA-N 2 0 310.482 2.866 20 0 DFADRP COc1ccc([C@H](CO)C[NH2+][C@H](C)C[C@H]2CCCCC[NH2+]2)cc1 ZINC000423171505 296387775 /nfs/dbraw/zinc/38/77/75/296387775.db2.gz ORZWKLAPPVXACC-BPQIPLTHSA-N 2 0 320.477 2.672 20 0 DFADRP Cc1ccc2cc([C@H](C)[NH2+]CCCN3CC[NH2+]CC3)oc2c1 ZINC000423175473 296388322 /nfs/dbraw/zinc/38/83/22/296388322.db2.gz APUHTGOUELUAFW-HNNXBMFYSA-N 2 0 301.434 2.687 20 0 DFADRP C[C@@H]1C[C@H]([NH2+][C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)CS1 ZINC000423176902 296388519 /nfs/dbraw/zinc/38/85/19/296388519.db2.gz GNJVCPHICZZRQL-RPCCPQHDSA-N 2 0 304.459 2.726 20 0 DFADRP CC(C)Cc1ccc([C@H](C)[NH2+]CCCN2CC[NH2+]CC2)cc1 ZINC000423176586 296388526 /nfs/dbraw/zinc/38/85/26/296388526.db2.gz HBXFLAMXDROPOV-KRWDZBQOSA-N 2 0 303.494 2.831 20 0 DFADRP C[C@@H]([NH2+]CCC[NH3+])c1cccc(OCc2cn3ccccc3n2)c1 ZINC000423176653 296388539 /nfs/dbraw/zinc/38/85/39/296388539.db2.gz HQJLABBGUSMEBU-OAHLLOKOSA-N 2 0 324.428 2.913 20 0 DFADRP C[NH+](C)[C@@H](CC(=O)NC[C@@H]1CC[N@@H+]1C(C)(C)C)c1ccccc1 ZINC000617009389 399571603 /nfs/dbraw/zinc/57/16/03/399571603.db2.gz XZWHIZVMYLAITB-IRXDYDNUSA-N 2 0 317.477 2.668 20 0 DFADRP Cc1nc(C(C)(C)C)sc1[C@H](C)[NH2+]CCCN1CC[NH2+]CC1 ZINC000423177857 296388601 /nfs/dbraw/zinc/38/86/01/296388601.db2.gz JTQBBNPNMWWYQT-ZDUSSCGKSA-N 2 0 324.538 2.695 20 0 DFADRP CCSc1ccc([C@H](C)[NH2+]CCCN2CC[NH2+]CC2)cc1 ZINC000423181772 296389296 /nfs/dbraw/zinc/38/92/96/296389296.db2.gz PNWRYKGOUJIONP-HNNXBMFYSA-N 2 0 307.507 2.745 20 0 DFADRP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1NCC1([NH3+])CCCCC1 ZINC000423181754 296389448 /nfs/dbraw/zinc/38/94/48/296389448.db2.gz PKXJPMMNFHTVMV-WMZOPIPTSA-N 2 0 316.493 2.543 20 0 DFADRP CC1(C)CC[C@@H]([NH2+]CCCN2CC[NH2+]CC2)c2ccccc21 ZINC000423183626 296389763 /nfs/dbraw/zinc/38/97/63/296389763.db2.gz LIQDJNDUNIGILX-GOSISDBHSA-N 2 0 301.478 2.684 20 0 DFADRP CC[N@@H+]1CC[C@@H]([NH2+]C[C@](C)(O)c2ccccc2Cl)[C@H](C)C1 ZINC000157604074 197200500 /nfs/dbraw/zinc/20/05/00/197200500.db2.gz ABAAWPQEFFGLFK-XYPHTWIQSA-N 2 0 310.869 2.867 20 0 DFADRP CC(C)[C@@H]([NH2+]CCCN1CC[NH2+]CC1)c1ccccc1Cl ZINC000423188742 296390128 /nfs/dbraw/zinc/39/01/28/296390128.db2.gz QGEQYQYNBCAFDH-QGZVFWFLSA-N 2 0 309.885 2.922 20 0 DFADRP C[C@@H]([NH2+]CCCN1CC[NH2+]CC1)c1cccc(Cl)c1Cl ZINC000423187191 296390131 /nfs/dbraw/zinc/39/01/31/296390131.db2.gz XJNFHTQAWOWDGD-GFCCVEGCSA-N 2 0 316.276 2.939 20 0 DFADRP C[N@H+](Cc1ccccc1)C1CCC([NH2+][C@H]2CCCNC2)CC1 ZINC000423195988 296391096 /nfs/dbraw/zinc/39/10/96/296391096.db2.gz UEXRGQSXXOXZHQ-XBMUEBEBSA-N 2 0 301.478 2.771 20 0 DFADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1[NH2+]C[C@](C)(O)c1ccccc1Cl ZINC000157559545 197197257 /nfs/dbraw/zinc/19/72/57/197197257.db2.gz LRWJQFVKDUXVDY-GFOFROLCSA-N 2 0 310.869 2.866 20 0 DFADRP c1ccc(C[N@@H+]2C[C@@H]3CCCC[C@H](N[C@H]4CC[NH2+]C4)[C@H]3C2)cc1 ZINC000423205027 296392180 /nfs/dbraw/zinc/39/21/80/296392180.db2.gz BKGTZWDYTIIKSO-MUGJNUQGSA-N 2 0 313.489 2.629 20 0 DFADRP C[C@H]([NH2+]CCN1CC[NH2+]CC1)C(c1ccccc1)c1ccccc1 ZINC000423207740 296392498 /nfs/dbraw/zinc/39/24/98/296392498.db2.gz SFCYNKNCETUKSE-SFHVURJKSA-N 2 0 323.484 2.702 20 0 DFADRP C[C@@H]([NH2+]CCN1CC[NH2+]CC1)c1ccc(-c2ccccc2)s1 ZINC000423200847 296391897 /nfs/dbraw/zinc/39/18/97/296391897.db2.gz GQSVETUDZIGJCT-OAHLLOKOSA-N 2 0 315.486 2.971 20 0 DFADRP Clc1ccc2c(c1)[C@@H]([NH2+]CCN1CC[NH2+]CC1)CCCC2 ZINC000423201383 296392041 /nfs/dbraw/zinc/39/20/41/296392041.db2.gz ILSUPYMHJDSOTQ-KRWDZBQOSA-N 2 0 307.869 2.602 20 0 DFADRP COc1cc(C)c(C[C@@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1OC ZINC000423215852 296393405 /nfs/dbraw/zinc/39/34/05/296393405.db2.gz OZGXNOVYFMBXPN-KTFSGNIMSA-N 2 0 318.461 2.816 20 0 DFADRP COc1ccc([C@H](C)[C@H](C)[NH2+]C[C@H]2CCC[NH2+]C2)cc1OC ZINC000423220957 296393980 /nfs/dbraw/zinc/39/39/80/296393980.db2.gz YYUXACCSBYDFTG-ILXRZTDVSA-N 2 0 306.450 2.785 20 0 DFADRP C[C@@H]([NH3+])CC[NH2+][C@@H]1CCCOc2cc(Br)ccc21 ZINC000423222187 296394083 /nfs/dbraw/zinc/39/40/83/296394083.db2.gz ADFNTAQCWLBHAE-ZWNOBZJWSA-N 2 0 313.239 2.990 20 0 DFADRP CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC000347805855 285183022 /nfs/dbraw/zinc/18/30/22/285183022.db2.gz CWHUDYNKEPVGKB-HZPDHXFCSA-N 2 0 311.514 2.589 20 0 DFADRP C[C@H]([NH3+])CC[NH2+][C@@H]1CCc2c1ccc(F)c2Br ZINC000423226653 296394309 /nfs/dbraw/zinc/39/43/09/296394309.db2.gz RPHHNRIRMMNINA-QPUJVOFHSA-N 2 0 301.203 2.902 20 0 DFADRP Brc1ccc2c(c1)CC[C@H]([NH2+]C[C@H]1CCC[NH2+]1)C2 ZINC000423237217 296395684 /nfs/dbraw/zinc/39/56/84/296395684.db2.gz PQYKENWRDMIVDN-LSDHHAIUSA-N 2 0 309.251 2.648 20 0 DFADRP Brc1cccc2c1C[C@@H]([NH2+]CC[C@@H]1CC[NH2+]C1)CC2 ZINC000423239553 296395873 /nfs/dbraw/zinc/39/58/73/296395873.db2.gz BINUMASPKMJGLP-JSGCOSHPSA-N 2 0 323.278 2.896 20 0 DFADRP Brc1cccc2c1C[C@@H]([NH2+]CC[C@H]1CC[NH2+]C1)CC2 ZINC000423239554 296395913 /nfs/dbraw/zinc/39/59/13/296395913.db2.gz BINUMASPKMJGLP-OCCSQVGLSA-N 2 0 323.278 2.896 20 0 DFADRP C[N@H+](Cc1ccccc1)C1CCC([NH2+]C[C@H]2CCC[NH2+]2)CC1 ZINC000423234603 296395326 /nfs/dbraw/zinc/39/53/26/296395326.db2.gz MCOHKDRMYCFWTF-JLAWEPINSA-N 2 0 301.478 2.771 20 0 DFADRP CC(C)[C@@H]([NH2+]CC[C@@H]1CC[NH2+]C1)c1ccc2[nH]c(=O)oc2c1 ZINC000423238365 296396118 /nfs/dbraw/zinc/39/61/18/296396118.db2.gz ABZSARLSGRQJNO-BLLLJJGKSA-N 2 0 303.406 2.820 20 0 DFADRP CC(C)NC(=O)Nc1ccc([C@H](C)[NH2+]CC[C@H]2CC[NH2+]C2)cc1 ZINC000423252378 296397103 /nfs/dbraw/zinc/39/71/03/296397103.db2.gz UCLLOJKJXMQRAO-LSDHHAIUSA-N 2 0 318.465 2.867 20 0 DFADRP CCOC(=O)c1oc2c(c1C)[C@@H]([NH2+]CC[C@H]1CC[NH2+]C1)CCC2 ZINC000423253174 296397135 /nfs/dbraw/zinc/39/71/35/296397135.db2.gz VMRDBKBSTMDBHH-KGLIPLIRSA-N 2 0 320.433 2.731 20 0 DFADRP CCC[C@H](C)[NH2+]Cc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000156914408 197150189 /nfs/dbraw/zinc/15/01/89/197150189.db2.gz ZRKBXYJUPBXIRR-YJBOKZPZSA-N 2 0 317.477 2.662 20 0 DFADRP C[C@@H]([NH2+]CC[C@H]1CCC[NH2+]C1)c1cccc(OCC[NH+](C)C)c1 ZINC000423256237 296397326 /nfs/dbraw/zinc/39/73/26/296397326.db2.gz DQIWMFOQWJHWGC-IAGOWNOFSA-N 3 0 319.493 2.667 20 0 DFADRP Fc1ccc([C@@H]([NH2+]CC[C@H]2CCC[NH2+]C2)c2cnccn2)cc1 ZINC000423260326 296397762 /nfs/dbraw/zinc/39/77/62/296397762.db2.gz PYZVOQATJWPLSF-RDTXWAMCSA-N 2 0 314.408 2.684 20 0 DFADRP C[C@@H]([NH2+][C@H](CN)C1CCCCC1)c1ccc(S(C)(=O)=O)cc1 ZINC000423261339 296397840 /nfs/dbraw/zinc/39/78/40/296397840.db2.gz JSTCWAUILJEDSG-CXAGYDPISA-N 2 0 324.490 2.648 20 0 DFADRP CCO[C@@H]1C[C@H](N[C@H](C[NH3+])CC(C)C)[C@H]1Oc1ccccc1 ZINC000423262169 296398045 /nfs/dbraw/zinc/39/80/45/296398045.db2.gz LWFUJDMMSXACHJ-DZJNRPSUSA-N 2 0 306.450 2.574 20 0 DFADRP CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@@H]2CCC[C@@H]2C[NH3+])c2ccccc21 ZINC000423271792 296399292 /nfs/dbraw/zinc/39/92/92/296399292.db2.gz JJIPLMOOCODLDG-PILAGYSTSA-N 2 0 316.445 2.885 20 0 DFADRP C[C@H]([NH2+][C@@H]1CCC[C@H]1C[NH3+])c1ccc(NC(=O)NC2CC2)cc1 ZINC000423273965 296399623 /nfs/dbraw/zinc/39/96/23/296399623.db2.gz LGGHNNOFDIOFGK-RVSPLBMKSA-N 2 0 316.449 2.749 20 0 DFADRP C[NH2+]C[C@@H](C)C[NH2+][C@H]1CCc2cccc(Br)c2C1 ZINC000423276419 296399952 /nfs/dbraw/zinc/39/99/52/296399952.db2.gz OKZAABKGCOFOGM-YPMHNXCESA-N 2 0 311.267 2.752 20 0 DFADRP CCOC(=O)c1oc2c(c1C)[C@H]([NH2+][C@H]1CCC[C@@H]1C[NH3+])CCC2 ZINC000423279196 296400246 /nfs/dbraw/zinc/40/02/46/296400246.db2.gz RRNKQEPKMZBYHI-HZSPNIEDSA-N 2 0 320.433 2.859 20 0 DFADRP CCOC(=O)c1oc2c(c1C)[C@H]([NH2+][C@H]1CCC[C@H]1C[NH3+])CCC2 ZINC000423279197 296400406 /nfs/dbraw/zinc/40/04/06/296400406.db2.gz RRNKQEPKMZBYHI-MELADBBJSA-N 2 0 320.433 2.859 20 0 DFADRP CCC([NH3+])(CC)CN[C@@H](c1ccc(OC)cc1)[C@H]1CCC[NH2+]1 ZINC000423289260 296401223 /nfs/dbraw/zinc/40/12/23/296401223.db2.gz ARXRJIXSJWHYMD-SJORKVTESA-N 2 0 305.466 2.595 20 0 DFADRP CC[C@@H]([NH2+]Cc1ccc([C@@H](C)[NH3+])cc1)C1(C(=O)OC)CCC1 ZINC000423291042 296401269 /nfs/dbraw/zinc/40/12/69/296401269.db2.gz GKIHOMDCLRUCKP-CZUORRHYSA-N 2 0 304.434 2.918 20 0 DFADRP C[C@H]([NH3+])c1ccc(C[NH2+]C2CCN(Cc3ccccn3)CC2)cc1 ZINC000423294142 296401616 /nfs/dbraw/zinc/40/16/16/296401616.db2.gz TUYLSNGTPBQKAK-INIZCTEOSA-N 2 0 324.472 2.856 20 0 DFADRP CCN(CC)C(=O)Nc1ccc([C@H](C)[NH2+]C[C@H](C)C[NH3+])cc1 ZINC000423296109 296402046 /nfs/dbraw/zinc/40/20/46/296402046.db2.gz GDNRVFHEWSMVPI-KGLIPLIRSA-N 2 0 306.454 2.806 20 0 DFADRP C[C@@H](C[NH3+])C[NH2+][C@@H]1CCCOc2cc(Br)ccc21 ZINC000423301210 296402309 /nfs/dbraw/zinc/40/23/09/296402309.db2.gz SUCNHBMOJLSOAX-GXFFZTMASA-N 2 0 313.239 2.847 20 0 DFADRP CCc1ccc([C@H](CNC(=O)[C@H](C(C)C)[C@H](C)[NH3+])[NH+](C)C)cc1 ZINC000423310830 296402875 /nfs/dbraw/zinc/40/28/75/296402875.db2.gz SIIAXYGSFZUCHM-JCGIZDLHSA-N 2 0 319.493 2.587 20 0 DFADRP C[C@@H](C[NH3+])C[NH2+][C@@H](C)c1ccc(I)cc1 ZINC000423303376 296402455 /nfs/dbraw/zinc/40/24/55/296402455.db2.gz WYVZRXWAIWSNEZ-UWVGGRQHSA-N 2 0 318.202 2.537 20 0 DFADRP O[C@H]1C[C@@H](C[NH2+][C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)C1 ZINC000624217623 399601163 /nfs/dbraw/zinc/60/11/63/399601163.db2.gz ASCNVVWGXRSWEU-CENDIDJXSA-N 2 0 314.473 2.648 20 0 DFADRP Brc1ccccc1C[C@H]([NH2+]C[C@@H]1CC[NH2+]C1)C1CC1 ZINC000423330774 296405192 /nfs/dbraw/zinc/40/51/92/296405192.db2.gz GGUPFVQOKODLRY-WBMJQRKESA-N 2 0 323.278 2.969 20 0 DFADRP C[C@@H]([NH3+])c1ccc(C(=O)NC[C@H](C)C[NH+]2CCCCC2)cc1 ZINC000423339037 296405948 /nfs/dbraw/zinc/40/59/48/296405948.db2.gz BJZCEBMADYKJRJ-LSDHHAIUSA-N 2 0 303.450 2.558 20 0 DFADRP O=C(Nc1ccc(C[NH+]2CCCCCC2)cc1)[C@]12C[C@H]1CC[NH2+]2 ZINC000423359029 296408141 /nfs/dbraw/zinc/40/81/41/296408141.db2.gz ORAJLNPKSDBEMO-APWZRJJASA-N 2 0 313.445 2.753 20 0 DFADRP C[C@@H](CN1CC[NH+](C)CC1)[NH2+][C@@H]1CCCCc2ccccc21 ZINC000155078282 197020010 /nfs/dbraw/zinc/02/00/10/197020010.db2.gz GRYGBQXICBJOIV-QFBILLFUSA-N 2 0 301.478 2.680 20 0 DFADRP C[C@H]([NH2+][C@H]1CCC[C@H]([NH3+])C1)c1ccc(-n2cncn2)cc1Cl ZINC000423368095 296409346 /nfs/dbraw/zinc/40/93/46/296409346.db2.gz CWXVEGZHILCGJR-AVGNSLFASA-N 2 0 319.840 2.841 20 0 DFADRP C[C@@H]1C[C@H]([NH2+]C2CCN(c3ccc(F)cc3F)CC2)CC[NH2+]1 ZINC000423380806 296410746 /nfs/dbraw/zinc/41/07/46/296410746.db2.gz OCHLIODLSFJKKL-IUODEOHRSA-N 2 0 309.404 2.664 20 0 DFADRP C[C@H]([NH2+][C@@H]1CC[NH2+][C@H](C)C1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000423380263 296410544 /nfs/dbraw/zinc/41/05/44/296410544.db2.gz NNJOCNFULVWCCL-IIYDPXPESA-N 2 0 316.449 2.762 20 0 DFADRP CCC[C@@H]([NH2+][C@H](C)CN1CC[NH+](C)CC1)c1ccc(OC)cc1 ZINC000154919609 197005322 /nfs/dbraw/zinc/00/53/22/197005322.db2.gz NCHZXJVGHWSEJC-VQIMIIECSA-N 2 0 319.493 2.762 20 0 DFADRP C[C@H]([NH2+]C(C)(C)CNC(=O)[C@@H]1C[C@H](C)CC[NH2+]1)c1ccccc1 ZINC000423387660 296411436 /nfs/dbraw/zinc/41/14/36/296411436.db2.gz SUECIFKZIJRRDE-VYDXJSESSA-N 2 0 317.477 2.620 20 0 DFADRP C[C@@H]1C[NH2+]CC[C@@H]1[NH2+]C1CCN(c2ccc(F)cc2F)CC1 ZINC000423387084 296411489 /nfs/dbraw/zinc/41/14/89/296411489.db2.gz HMFAEYLWNOUMNO-WBMJQRKESA-N 2 0 309.404 2.521 20 0 DFADRP CC(C)[C@@H]([NH2+][C@@H]1CC[NH2+][C@H](C)C1)c1ccc2[nH]c(=O)oc2c1 ZINC000423386807 296411277 /nfs/dbraw/zinc/41/12/77/296411277.db2.gz RSBKNDLQDDWSQZ-AXAPSJFSSA-N 2 0 303.406 2.961 20 0 DFADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)C1=CCCCCC1 ZINC000353711681 285242995 /nfs/dbraw/zinc/24/29/95/285242995.db2.gz CXFKOSUPFZQRTJ-GOSISDBHSA-N 2 0 321.509 2.751 20 0 DFADRP COc1cc(F)c([C@H](C)[NH2+][C@@H]2C[C@H]2C2CC[NH2+]CC2)cc1OC ZINC000423421781 296415113 /nfs/dbraw/zinc/41/51/13/296415113.db2.gz BACILEMVXAWIQF-HZUKXOBISA-N 2 0 322.424 2.882 20 0 DFADRP Cc1nn(C)c2sc([C@H](C)[NH2+][C@@H]3C[C@H]3C3CC[NH2+]CC3)cc12 ZINC000423427555 296415837 /nfs/dbraw/zinc/41/58/37/296415837.db2.gz FWQOBWCHYQFLKR-TUKIKUTGSA-N 2 0 318.490 2.982 20 0 DFADRP CCO[C@@H]1C[C@H]([NH2+][C@@H](C)CCCC[NH3+])[C@@H]1Oc1ccccc1 ZINC000423444068 296417384 /nfs/dbraw/zinc/41/73/84/296417384.db2.gz WHNPAWBUURYHQX-OWLYRPNTSA-N 2 0 306.450 2.719 20 0 DFADRP CC[C@@H]([NH2+]CC[C@@H]1CCC[N@@H+]1C)c1ccc2c(c1)OCCO2 ZINC000271652720 209095971 /nfs/dbraw/zinc/09/59/71/209095971.db2.gz IMTLVHGBLIRRND-JKSUJKDBSA-N 2 0 304.434 2.983 20 0 DFADRP C[C@H](CCC[NH3+])[NH2+][C@@H](C)c1ccc(OCc2nccn2C)cc1 ZINC000423454641 296417885 /nfs/dbraw/zinc/41/78/85/296417885.db2.gz LVZXUTXAFSOSGU-CABCVRRESA-N 2 0 316.449 2.777 20 0 DFADRP C[C@@H](CCC[NH3+])[NH2+][C@@H](C)c1ncc(Br)cc1F ZINC000423455705 296417914 /nfs/dbraw/zinc/41/79/14/296417914.db2.gz MZTROIYROIXLFH-IUCAKERBSA-N 2 0 304.207 2.761 20 0 DFADRP COc1cc(NC(C)=O)ccc1[C@H](C)[NH2+]C[C@H]1CCC[C@H]([NH3+])C1 ZINC000423477300 296419973 /nfs/dbraw/zinc/41/99/73/296419973.db2.gz SIGHHSMQICDMCO-QEJZJMRPSA-N 2 0 319.449 2.822 20 0 DFADRP C[C@@H]1COCC[C@@H]1[NH2+]C[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC000423470635 296419140 /nfs/dbraw/zinc/41/91/40/296419140.db2.gz LNHLIMFUCIVFLR-SIUPPRGNSA-N 2 0 306.425 2.533 20 0 DFADRP COc1cc2c(cc1OC)[C@H]([NH2+]CCC[C@H]1CCC[NH2+]1)CC2 ZINC000423481355 296420582 /nfs/dbraw/zinc/42/05/82/296420582.db2.gz OFNVROBZDRWXFD-GDBMZVCRSA-N 2 0 304.434 2.813 20 0 DFADRP C[C@H]([NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1)c1ccc(-n2cccn2)cc1 ZINC000423537362 296427928 /nfs/dbraw/zinc/42/79/28/296427928.db2.gz COHNRRCOSOFDEC-LEUOFYLZSA-N 2 0 310.445 2.911 20 0 DFADRP CO[C@H](Cc1ccccc1)C[N@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000294903111 533206388 /nfs/dbraw/zinc/20/63/88/533206388.db2.gz ARICRFQYEFJKGP-ZZJWQFMZSA-N 2 0 302.462 2.801 20 0 DFADRP CC[N@@H+]1CC[C@H](NC2CC[NH+](CC3CCCC3)CC2)[C@H](C)C1 ZINC000120734923 195226577 /nfs/dbraw/zinc/22/65/77/195226577.db2.gz CPMDHLSJCNPICF-APWZRJJASA-N 2 0 307.526 2.961 20 0 DFADRP COC(=O)c1csc([C@H](C)[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)c1 ZINC000423541186 296428248 /nfs/dbraw/zinc/42/82/48/296428248.db2.gz FITAFGBAYQAJQT-CIQGVGRVSA-N 2 0 308.447 2.573 20 0 DFADRP Cc1cc(C)cc([C@H](C)[NH2+]C[C@H](C)CN2CC[NH+](C)CC2)c1 ZINC000120789507 195238604 /nfs/dbraw/zinc/23/86/04/195238604.db2.gz NPGQMAWTYSSKPS-ROUUACIJSA-N 2 0 303.494 2.838 20 0 DFADRP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1ccc[nH]c1=O ZINC000624257724 399618027 /nfs/dbraw/zinc/61/80/27/399618027.db2.gz NXWCKUXPJAKCBR-YJBOKZPZSA-N 2 0 311.429 2.787 20 0 DFADRP C[C@@H](C[NH2+][C@@H](C)c1ccc2c(c1)CCC2)CN1CC[NH+](C)CC1 ZINC000120864075 195253135 /nfs/dbraw/zinc/25/31/35/195253135.db2.gz PNDVZJPTKBVNET-IRXDYDNUSA-N 2 0 315.505 2.709 20 0 DFADRP C[C@H]([NH2+]CC1(N)CC[NH+](Cc2ccccc2)CC1)c1ccncc1 ZINC000423579436 296430814 /nfs/dbraw/zinc/43/08/14/296430814.db2.gz WFJZPJMJVCCJEB-KRWDZBQOSA-N 2 0 324.472 2.726 20 0 DFADRP C[C@@H]([NH3+])c1ccc(C(=O)N(CCC[NH3+])Cc2ccccc2)cc1 ZINC000423607043 296433113 /nfs/dbraw/zinc/43/31/13/296433113.db2.gz MAXFVRYXEJAUEM-OAHLLOKOSA-N 2 0 311.429 2.698 20 0 DFADRP Cc1ccc(C[C@H]([NH2+]CC2CC[NH+](CCO)CC2)C2CC2)cc1 ZINC000151894753 196743461 /nfs/dbraw/zinc/74/34/61/196743461.db2.gz SEWWJTFFKGLMEH-FQEVSTJZSA-N 2 0 316.489 2.610 20 0 DFADRP CC[NH+](CC)Cc1ccc(C(=O)N[C@H](C)C2CC[NH+](C)CC2)o1 ZINC000624271434 399624070 /nfs/dbraw/zinc/62/40/70/399624070.db2.gz UDZSXABGSPBSKB-CQSZACIVSA-N 2 0 321.465 2.582 20 0 DFADRP CN1CC[NH+](CC2CC[NH+](C/C=C/c3ccccc3)CC2)CC1 ZINC000289495606 221016399 /nfs/dbraw/zinc/01/63/99/221016399.db2.gz SGUJEHQBCKHDRX-VMPITWQZSA-N 2 0 313.489 2.659 20 0 DFADRP Cc1ccc(F)cc1C[NH+]1CCC(C[NH+]2CCN(C)CC2)CC1 ZINC000289538270 221051563 /nfs/dbraw/zinc/05/15/63/221051563.db2.gz WQNAZFRRRRWUEK-UHFFFAOYSA-N 2 0 319.468 2.594 20 0 DFADRP COCCOCc1ccc(C[NH2+]CCC[NH+]2CCCCC2)cc1 ZINC000289606856 221098374 /nfs/dbraw/zinc/09/83/74/221098374.db2.gz DRZMKMQPHGFRDF-UHFFFAOYSA-N 2 0 320.477 2.815 20 0 DFADRP C[C@@H](Cc1ccccc1)C[N@H+](C)CCN(C)C1CC[NH+](C)CC1 ZINC000289725103 221181252 /nfs/dbraw/zinc/18/12/52/221181252.db2.gz HLVAASAYRUECHV-SFHVURJKSA-N 2 0 317.521 2.823 20 0 DFADRP COC[C@H](CCC[NH3+])[N@@H+]1CC[C@@H](Oc2cccc(Cl)c2)C1 ZINC000629513495 399630480 /nfs/dbraw/zinc/63/04/80/399630480.db2.gz HBNHTXRZSMLTFQ-GOEBONIOSA-N 2 0 312.841 2.547 20 0 DFADRP COC[C@@H](CCC[NH3+])[N@@H+]1CC[C@@H](Oc2cccc(Cl)c2)C1 ZINC000629513485 399630894 /nfs/dbraw/zinc/63/08/94/399630894.db2.gz HBNHTXRZSMLTFQ-GDBMZVCRSA-N 2 0 312.841 2.547 20 0 DFADRP Cc1cccc2c1C[C@H]([NH2+][C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1)CO2 ZINC000629515264 399631635 /nfs/dbraw/zinc/63/16/35/399631635.db2.gz RERLMUXGFHLICM-UOVPBQLFSA-N 2 0 300.446 2.809 20 0 DFADRP Cc1cc(N2CC[NH+](C[C@H]3CCCO3)CC2)c2ccccc2[nH+]1 ZINC000078548372 542481639 /nfs/dbraw/zinc/48/16/39/542481639.db2.gz LRTLNXSQYUAEGG-MRXNPFEDSA-N 2 0 311.429 2.844 20 0 DFADRP C[N@H+](Cc1ccccc1)C1CCC([NH2+]CCc2cn[nH]c2)CC1 ZINC000289820027 221247063 /nfs/dbraw/zinc/24/70/63/221247063.db2.gz OXKBXEBQGFTQMD-UHFFFAOYSA-N 2 0 312.461 2.985 20 0 DFADRP C[C@H]([NH2+]C(C)(C)CNC(=O)[C@@H]1CCC[NH2+][C@@H]1C)c1ccccc1 ZINC000289860415 221274714 /nfs/dbraw/zinc/27/47/14/221274714.db2.gz LCNIASWXWUMKOH-ZMSDIMECSA-N 2 0 317.477 2.620 20 0 DFADRP COCCOCc1ccc(C[NH2+]C[C@@H](C)C[NH+]2CCCC2)cc1 ZINC000289921132 221319211 /nfs/dbraw/zinc/31/92/11/221319211.db2.gz ZNJPSXCZHHEIDU-QGZVFWFLSA-N 2 0 320.477 2.671 20 0 DFADRP C[NH2+]CCOCC[NH2+][C@@H]1CCCOc2c(Cl)cc(C)cc21 ZINC000629529501 399637460 /nfs/dbraw/zinc/63/74/60/399637460.db2.gz FFLHEJHINZPYRV-OAHLLOKOSA-N 2 0 312.841 2.688 20 0 DFADRP C[NH2+]CCOCC[NH2+][C@H]1CCC[C@@H]1Cc1ccc(Cl)cc1 ZINC000629530946 399637358 /nfs/dbraw/zinc/63/73/58/399637358.db2.gz VVPDOIAGSVPJKL-WBVHZDCISA-N 2 0 310.869 2.877 20 0 DFADRP CC(C)[N@@H+](C)C[C@@H](C)NC(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000289940870 221331083 /nfs/dbraw/zinc/33/10/83/221331083.db2.gz UGKRGGFRGBQJPV-CQSZACIVSA-N 2 0 306.454 2.598 20 0 DFADRP CC(C)CCO[C@H]1CC[C@H]([NH2+][C@@H]2CCOC[C@@H]2[C@H](C)[NH3+])CC1 ZINC000629531412 399637814 /nfs/dbraw/zinc/63/78/14/399637814.db2.gz KDLIZZQNICXVIC-NNPSNHGLSA-N 2 0 312.498 2.702 20 0 DFADRP C[NH2+]CCOCC[NH2+][C@@H](Cc1ccccc1F)c1ccccc1 ZINC000629530876 399637898 /nfs/dbraw/zinc/63/78/98/399637898.db2.gz UBFAPJPNUOHUQB-IBGZPJMESA-N 2 0 316.420 2.935 20 0 DFADRP C[NH2+]CCOCC[NH2+][C@@H]1CCCOc2c(C(C)C)cccc21 ZINC000629530188 399637949 /nfs/dbraw/zinc/63/79/49/399637949.db2.gz YDRYUJGEASKOLG-QGZVFWFLSA-N 2 0 306.450 2.849 20 0 DFADRP Cc1nc(C(C)C)ccc1C[N@@H+]1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000629533207 399638027 /nfs/dbraw/zinc/63/80/27/399638027.db2.gz NHYUICZWNBHGQA-KRWDZBQOSA-N 2 0 317.477 2.701 20 0 DFADRP [NH3+][C@H]1CCCO[C@H]1C1CC[NH+](Cc2cc(O)ccc2Cl)CC1 ZINC000629535323 399639089 /nfs/dbraw/zinc/63/90/89/399639089.db2.gz DCJZSYWPPHCQOG-IRXDYDNUSA-N 2 0 324.852 2.764 20 0 DFADRP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCC[N@H+](Cc3cc(O)ccc3Cl)C2)C1 ZINC000629534898 399639263 /nfs/dbraw/zinc/63/92/63/399639263.db2.gz BQPZQADKEGYXDL-SUYBPPKGSA-N 2 0 324.852 2.764 20 0 DFADRP CC[C@H]1[NH2+]CC[C@@H]1C(=O)Nc1cccc(C[NH+](CC)CC)c1 ZINC000290033323 221391644 /nfs/dbraw/zinc/39/16/44/221391644.db2.gz RYWUOLXITCUBGK-DLBZAZTESA-N 2 0 303.450 2.855 20 0 DFADRP CC(C)c1ccc(O[C@@H](C)C[NH2+]C[C@H](O)C[NH+]2CCCC2)cc1 ZINC000629581114 399653369 /nfs/dbraw/zinc/65/33/69/399653369.db2.gz NMHSBGBXUCKOGE-WMZOPIPTSA-N 2 0 320.477 2.624 20 0 DFADRP O[C@H](C[NH2+]C[C@H]1CCC[C@H]1c1ccccc1)C[NH+]1CCCC1 ZINC000629579513 399653429 /nfs/dbraw/zinc/65/34/29/399653429.db2.gz FGMQPELFBMTYKY-QRVBRYPASA-N 2 0 302.462 2.617 20 0 DFADRP O[C@H](C[NH2+][C@@H]1CC[C@H](c2cccc(F)c2)C1)C[NH+]1CCCC1 ZINC000629578930 399654214 /nfs/dbraw/zinc/65/42/14/399654214.db2.gz NUELLEBABQKYQU-CGTJXYLNSA-N 2 0 306.425 2.508 20 0 DFADRP CCN(CC[NH3+])C(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC000625850812 399665121 /nfs/dbraw/zinc/66/51/21/399665121.db2.gz PTXZTXAZFCVCCB-UHFFFAOYSA-N 2 0 318.465 2.528 20 0 DFADRP C[NH+](C)[C@H](CC(=O)N[C@H]1CC[N@@H+](C(C)(C)C)C1)c1ccccc1 ZINC000617345071 399671492 /nfs/dbraw/zinc/67/14/92/399671492.db2.gz WSLIHRLBGWISEM-DLBZAZTESA-N 2 0 317.477 2.668 20 0 DFADRP O[C@H]1CCN(CC[NH2+][C@@H](Cc2ccccc2)c2ccccc2)C1 ZINC000624335590 399643122 /nfs/dbraw/zinc/64/31/22/399643122.db2.gz WBDMIUROJYAIQT-PMACEKPBSA-N 2 0 310.441 2.627 20 0 DFADRP FC(F)(F)C1(C[NH2+][C@@H]2CCOC[C@H]2[C@@H]2CCC[NH2+]2)CCCC1 ZINC000629550585 399645030 /nfs/dbraw/zinc/64/50/30/399645030.db2.gz NXUHKZQFRDHDGL-MELADBBJSA-N 2 0 320.399 2.856 20 0 DFADRP Cc1cccc(C2(C[NH2+]C[C@H](O)C[NH+]3CCCC3)CCCC2)c1 ZINC000629559900 399648826 /nfs/dbraw/zinc/64/88/26/399648826.db2.gz PIJQDNBELVKGJS-IBGZPJMESA-N 2 0 316.489 2.853 20 0 DFADRP COc1ccc([C@H]([NH2+][C@H](C)C2CC[NH+](C)CC2)C2CC2)cn1 ZINC000624345560 399649035 /nfs/dbraw/zinc/64/90/35/399649035.db2.gz MGLFHRZAURAMBN-FZKQIMNGSA-N 2 0 303.450 2.861 20 0 DFADRP O[C@@H](C[NH2+]CC1(c2cccs2)CCCCC1)C[NH+]1CCCC1 ZINC000629564039 399650165 /nfs/dbraw/zinc/65/01/65/399650165.db2.gz JQJIFYGOAQFBMQ-INIZCTEOSA-N 2 0 322.518 2.996 20 0 DFADRP CCc1ccc(C(C)(C)C[NH2+]C[C@H](O)C[NH+]2CCCC2)cc1 ZINC000629562223 399650198 /nfs/dbraw/zinc/65/01/98/399650198.db2.gz CCHJYRLNMGDOPI-SFHVURJKSA-N 2 0 304.478 2.573 20 0 DFADRP COc1ccccc1-c1ccc(C[N@H+](C)CCOCC[NH3+])cc1 ZINC000629668014 399682821 /nfs/dbraw/zinc/68/28/21/399682821.db2.gz ZDSIXBYGTKRFTI-UHFFFAOYSA-N 2 0 314.429 2.769 20 0 DFADRP Cc1noc([C@H](C)N2CC[C@@H](CNc3cc(C)cc[nH+]3)C2)n1 ZINC000624484643 399686266 /nfs/dbraw/zinc/68/62/66/399686266.db2.gz GSXWOTGDCKUJLI-JSGCOSHPSA-N 2 0 301.394 2.576 20 0 DFADRP C[NH2+]CCOCC[N@H+](C)Cc1c(OC)ccc2ccccc21 ZINC000629652151 399676326 /nfs/dbraw/zinc/67/63/26/399676326.db2.gz BIUSRPLAPCBSGC-UHFFFAOYSA-N 2 0 302.418 2.516 20 0 DFADRP C[NH2+]CCOCC[N@H+](C)Cc1cc(C)c(OC(F)F)c(C)c1 ZINC000629653086 399676599 /nfs/dbraw/zinc/67/65/99/399676599.db2.gz MVHVTWIGNNIVOJ-UHFFFAOYSA-N 2 0 316.392 2.573 20 0 DFADRP CN1CC[NH+](Cc2ccccc2-c2cccc(CC[NH3+])c2)CC1 ZINC000629735292 399707486 /nfs/dbraw/zinc/70/74/86/399707486.db2.gz PYHLPTGAGPPMPP-UHFFFAOYSA-N 2 0 309.457 2.602 20 0 DFADRP C[C@H]([NH2+]C[C@H]1CCCN1Cc1ccccc1)C1CC[NH+](C)CC1 ZINC000119134381 542570135 /nfs/dbraw/zinc/57/01/35/542570135.db2.gz OLOBADVFSSEBDA-FXAWDEMLSA-N 2 0 315.505 2.971 20 0 DFADRP O[C@H](CC[NH+]1CCC(C[NH+]2CCCC2)CC1)c1ccccc1 ZINC000318808690 285348706 /nfs/dbraw/zinc/34/87/06/285348706.db2.gz BBELVLFYVACEMW-LJQANCHMSA-N 2 0 302.462 2.918 20 0 DFADRP CC[NH+]1CCC(CC[NH2+][C@H]2CCO[C@H](C(F)(F)F)C2)CC1 ZINC000348100645 285348917 /nfs/dbraw/zinc/34/89/17/285348917.db2.gz FPDKOCDNSLHTPV-KBPBESRZSA-N 2 0 308.388 2.808 20 0 DFADRP CC[NH+]1CCC(CC[NH2+][C@H]2CCO[C@@H](C(F)(F)F)C2)CC1 ZINC000348100648 285348969 /nfs/dbraw/zinc/34/89/69/285348969.db2.gz FPDKOCDNSLHTPV-UONOGXRCSA-N 2 0 308.388 2.808 20 0 DFADRP O=C(CC[C@@H]1CC[NH2+]C1)Nc1cccc(CC[NH+]2CCCC2)c1 ZINC000423767776 296445119 /nfs/dbraw/zinc/44/51/19/296445119.db2.gz DUJMXCHOENMBLA-QGZVFWFLSA-N 2 0 315.461 2.653 20 0 DFADRP CC(C)C[C@H](CN(C)C)[NH2+][C@@H](C)c1cccc(-n2ccnn2)c1 ZINC000348117008 285359970 /nfs/dbraw/zinc/35/99/70/285359970.db2.gz WOYRTVPGXZFGKV-DOTOQJQBSA-N 2 0 315.465 2.894 20 0 DFADRP O=C(CC[C@@H]1CCC[NH2+]1)Nc1cccc(CC[NH+]2CCCC2)c1 ZINC000423769261 296445550 /nfs/dbraw/zinc/44/55/50/296445550.db2.gz GCQCXBAROTXJKG-KRWDZBQOSA-N 2 0 315.461 2.796 20 0 DFADRP CCN(CC)C(=O)C[C@@H](C)[NH2+]Cc1ccc(F)c(C[NH+](C)C)c1 ZINC000120960487 195272188 /nfs/dbraw/zinc/27/21/88/195272188.db2.gz CPNHIHYGRIEHIU-CQSZACIVSA-N 2 0 323.456 2.624 20 0 DFADRP C[C@@H](C[NH2+][C@H]1CCCc2ccccc21)CN1CC[NH+](C)CC1 ZINC000121029551 195282998 /nfs/dbraw/zinc/28/29/98/195282998.db2.gz RPYLZZCBYFPALG-LPHOPBHVSA-N 2 0 301.478 2.537 20 0 DFADRP C[N@H+](CCC(=O)Nc1cccc(Cl)c1)C[C@@H]1CC[NH+](C)C1 ZINC000121050094 195288034 /nfs/dbraw/zinc/28/80/34/195288034.db2.gz YCEQYTFZPATOOP-CYBMUJFWSA-N 2 0 309.841 2.552 20 0 DFADRP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@H]2CCc3c2cccc3C)CC1 ZINC000121141381 195298560 /nfs/dbraw/zinc/29/85/60/195298560.db2.gz URPQHRPCFRTSFU-UZLBHIALSA-N 2 0 315.505 2.846 20 0 DFADRP CCC[NH+]1CCC(NC[C@@H](c2ccco2)[NH+]2CCCC2)CC1 ZINC000121171749 195301703 /nfs/dbraw/zinc/30/17/03/195301703.db2.gz PJLLQWPYZUFIMW-KRWDZBQOSA-N 2 0 305.466 2.881 20 0 DFADRP CCC[NH+]1CCC(C[NH2+][C@@H]2CCO[C@H](C(F)(F)F)C2)CC1 ZINC000348124330 285365928 /nfs/dbraw/zinc/36/59/28/285365928.db2.gz VYCFINZHZXCTLY-KGLIPLIRSA-N 2 0 308.388 2.808 20 0 DFADRP CCC(O)(CC)C[NH2+][C@H](C)c1ccc(OCC[NH+](C)C)cc1 ZINC000121887469 195368880 /nfs/dbraw/zinc/36/88/80/195368880.db2.gz NEZISQHTRFUAPE-OAHLLOKOSA-N 2 0 308.466 2.829 20 0 DFADRP C[C@H]1CC[NH2+][C@@H](C(=O)Nc2cccc(CC[NH+]3CCCC3)c2)C1 ZINC000423782578 296447340 /nfs/dbraw/zinc/44/73/40/296447340.db2.gz ZIQBWACLHFSHGZ-MAUKXSAKSA-N 2 0 315.461 2.652 20 0 DFADRP C[C@@H](CN1CC[NH+](C)CC1)[NH2+][C@H](c1ccc(F)cc1)C1CC1 ZINC000271621843 209068257 /nfs/dbraw/zinc/06/82/57/209068257.db2.gz BTXJMMGXMSGWIH-KSSFIOAISA-N 2 0 305.441 2.502 20 0 DFADRP CC[N@@H+]1CC[C@H](N(C)C(=O)CC2(C[NH3+])CCCCC2)C[C@@H]1C ZINC000361627493 285383621 /nfs/dbraw/zinc/38/36/21/285383621.db2.gz NKSSVVBOFRZXLB-HOTGVXAUSA-N 2 0 309.498 2.617 20 0 DFADRP Cc1cc([C@@H](C)[NH2+]C[C@@H](C)N2CC[NH+](C)CC2)cc(C)c1F ZINC000127843792 195914893 /nfs/dbraw/zinc/91/48/93/195914893.db2.gz CXNLTQMAIUKXQK-HZPDHXFCSA-N 2 0 307.457 2.729 20 0 DFADRP CC[N@H+](CCO[C@H]1CC1(F)F)Cc1ccc(C[NH+](C)C)cc1 ZINC000626063729 399742389 /nfs/dbraw/zinc/74/23/89/399742389.db2.gz NWCCSNRISKJUNM-INIZCTEOSA-N 2 0 312.404 2.994 20 0 DFADRP CC1CC[NH+](CCc2cccc(NC(=O)C(C)(C)[NH3+])c2)CC1 ZINC000423842089 296455297 /nfs/dbraw/zinc/45/52/97/296455297.db2.gz JTTCXURWKNDZEA-UHFFFAOYSA-N 2 0 303.450 2.637 20 0 DFADRP CC[N@H+](C)[C@@H](C(=O)N[C@@H](C)C1CC[NH+](C)CC1)c1ccccc1 ZINC000603320421 399744132 /nfs/dbraw/zinc/74/41/32/399744132.db2.gz IMJMEHPFHLGGGC-MAUKXSAKSA-N 2 0 317.477 2.526 20 0 DFADRP C[C@@H]([NH2+]C[C@H](C)C[NH+]1CCCC1)c1ccc(C(=O)N(C)C)cc1 ZINC000292384154 533426808 /nfs/dbraw/zinc/42/68/08/533426808.db2.gz ZWDDQUMOEWHENG-JKSUJKDBSA-N 2 0 317.477 2.771 20 0 DFADRP C[C@@H](CC(C)(C)C)[NH2+]Cc1ccc(C(=O)NCC[NH+](C)C)cc1 ZINC000294947294 533468792 /nfs/dbraw/zinc/46/87/92/533468792.db2.gz DBXOUWZKQYOVHM-HNNXBMFYSA-N 2 0 319.493 2.892 20 0 DFADRP C[C@@H]1C[C@@H](NC[C@]2(C)CC[NH+](Cc3ccccc3)C2)CC[N@@H+]1C ZINC000309746987 533649984 /nfs/dbraw/zinc/64/99/84/533649984.db2.gz UTIRFYZKEUABCP-HOJAQTOUSA-N 2 0 315.505 2.971 20 0 DFADRP C[C@@H]([NH2+][C@H]1CC[C@H](CO)CC1)c1cccc(OCC[NH+](C)C)c1 ZINC000121379463 542584180 /nfs/dbraw/zinc/58/41/80/542584180.db2.gz BLLOVNKCNNAGKD-NUJGCVRESA-N 2 0 320.477 2.829 20 0 DFADRP C[NH+](C)C1CCN(CC[NH2+][C@H]2CCc3c2cc(F)cc3F)CC1 ZINC000121501757 542585513 /nfs/dbraw/zinc/58/55/13/542585513.db2.gz YMWMYHAYFRZXCV-SFHVURJKSA-N 2 0 323.431 2.568 20 0 DFADRP CCC[NH+]1CCC(NC[C@@H](c2ccc(F)cc2)[NH+](C)C)CC1 ZINC000124753541 542598404 /nfs/dbraw/zinc/59/84/04/542598404.db2.gz DHESXUWMZDCPJQ-SFHVURJKSA-N 2 0 307.457 2.892 20 0 DFADRP CCCc1ccc(C[NH2+][C@H](C)CCN2CC[NH+](C)CC2)s1 ZINC000621345808 399761967 /nfs/dbraw/zinc/76/19/67/399761967.db2.gz XKBVPNNHTUAYBW-OAHLLOKOSA-N 2 0 309.523 2.816 20 0 DFADRP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)C[NH+](C)C2CCC2)C1 ZINC000629961027 399770215 /nfs/dbraw/zinc/77/02/15/399770215.db2.gz GSARFIJDXXMNNO-SJORKVTESA-N 2 0 321.509 2.584 20 0 DFADRP C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)C[NH+](C)C2CCC2)C1 ZINC000629961026 399770506 /nfs/dbraw/zinc/77/05/06/399770506.db2.gz GSARFIJDXXMNNO-IRXDYDNUSA-N 2 0 321.509 2.584 20 0 DFADRP Cc1cc([C@H](C)[NH2+][C@@H]2CCN(C3CC[NH+](C)CC3)C2)c(C)o1 ZINC000373173842 291988088 /nfs/dbraw/zinc/98/80/88/291988088.db2.gz RAVHHSBQTFCKSJ-GOEBONIOSA-N 2 0 305.466 2.716 20 0 DFADRP C[C@@H]([NH2+][C@H]1CCCN(Cc2ccccc2)C1)C1CC[NH+](C)CC1 ZINC000132795523 542643006 /nfs/dbraw/zinc/64/30/06/542643006.db2.gz DGSFRSCUHZMYAZ-XLIONFOSSA-N 2 0 315.505 2.971 20 0 DFADRP C[C@H]([NH2+]C[C@@H](c1cccc(F)c1)N(C)C)C1CC[NH+](C)CC1 ZINC000133590933 542646510 /nfs/dbraw/zinc/64/65/10/542646510.db2.gz FXCVAIYZDKMCNF-KSSFIOAISA-N 2 0 307.457 2.748 20 0 DFADRP C[NH+](C)C[C@H](NC(=O)C[N@H+](C)C1CCC1)c1ccc(Cl)cc1 ZINC000629991240 399784423 /nfs/dbraw/zinc/78/44/23/399784423.db2.gz RVUYCHLYROSXIO-INIZCTEOSA-N 2 0 323.868 2.543 20 0 DFADRP C[C@H]1C[N@H+](C[C@H]2CN(Cc3ccccc3)CCCO2)C[C@H]1C ZINC000284089768 131047849 /nfs/dbraw/zinc/04/78/49/131047849.db2.gz LXSWDRMXASPGQR-ZIFCJYIRSA-N 2 0 302.462 2.865 20 0 DFADRP Cc1cnn(CCCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000151335805 542665964 /nfs/dbraw/zinc/66/59/64/542665964.db2.gz YMNYUNMUVRMYBZ-UHFFFAOYSA-N 2 0 313.449 2.579 20 0 DFADRP COC(C)(C)CC[NH+]1C[C@@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000348302566 285482020 /nfs/dbraw/zinc/48/20/20/285482020.db2.gz APWMHSPLVWBGDK-QZTJIDSGSA-N 2 0 302.462 2.865 20 0 DFADRP C[C@H]([NH2+][C@H]1CN(Cc2ccccc2)C[C@H]1C)C1CC[NH+](C)CC1 ZINC000157618264 542708369 /nfs/dbraw/zinc/70/83/69/542708369.db2.gz SNWPVHWITXRPNW-UWVAXJGDSA-N 3 0 315.505 2.827 20 0 DFADRP c1cn(Cc2cccc(C[NH2+][C@@H]3CC[N@@H+]4CCC[C@@H]4C3)c2)cn1 ZINC000166122263 542749701 /nfs/dbraw/zinc/74/97/01/542749701.db2.gz CPDLACUFRUNJRR-RTBURBONSA-N 2 0 310.445 2.648 20 0 DFADRP C[C@H](CNC(=O)[C@H]([NH3+])c1cccc(Cl)c1)C[NH+]1CCCCC1 ZINC000165664196 542750536 /nfs/dbraw/zinc/75/05/36/542750536.db2.gz LPJBPIWVDSQAFS-CZUORRHYSA-N 2 0 323.868 2.578 20 0 DFADRP COc1cc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)c2ccccc2n1 ZINC000166719963 542751893 /nfs/dbraw/zinc/75/18/93/542751893.db2.gz FXNLFNMLBSALNP-JKSUJKDBSA-N 2 0 311.429 2.960 20 0 DFADRP CC(C)[NH+]1CCN(C(=O)CC[C@@H]([NH3+])CC2CCCCC2)CC1 ZINC000424134381 296486702 /nfs/dbraw/zinc/48/67/02/296486702.db2.gz NMOCYAHTYPYBDC-QGZVFWFLSA-N 2 0 309.498 2.617 20 0 DFADRP C[C@@]1(CNC(=O)CC[C@H]([NH3+])CC2CCCCC2)CCC[NH2+]C1 ZINC000424140264 296487395 /nfs/dbraw/zinc/48/73/95/296487395.db2.gz FDVZKRSTCJNBSW-FUHWJXTLSA-N 2 0 309.498 2.570 20 0 DFADRP CN(C(=O)CC[C@H]([NH3+])CC1CCCCC1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000424154031 296488705 /nfs/dbraw/zinc/48/87/05/296488705.db2.gz MAOFFCSSTPOIJN-XNHLSEOASA-N 2 0 321.509 2.806 20 0 DFADRP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@H]1CCSc2c(F)cccc21 ZINC000177968487 542773976 /nfs/dbraw/zinc/77/39/76/542773976.db2.gz HWGTYAUASRFTIM-CJNGLKHVSA-N 2 0 323.481 2.588 20 0 DFADRP CC1([NH+]2CCCC2)CCN(Cc2ccc3c(c2)C[NH2+]CC3)CC1 ZINC000630072730 399805145 /nfs/dbraw/zinc/80/51/45/399805145.db2.gz XIMWSZFPUJKBQY-UHFFFAOYSA-N 2 0 313.489 2.783 20 0 DFADRP C[C@@H]1CCN(C(=O)CC[C@H]([NH3+])CC2CCCCC2)[C@H](C[NH3+])C1 ZINC000424178079 296490925 /nfs/dbraw/zinc/49/09/25/296490925.db2.gz QSZFRDGZKDUIIP-PVAVHDDUSA-N 2 0 309.498 2.650 20 0 DFADRP [NH3+]C[C@@H](NC(=O)CC[C@@H]([NH3+])CC1CCCCC1)C1CCCC1 ZINC000424204248 296492889 /nfs/dbraw/zinc/49/28/89/296492889.db2.gz VBJWALCGZGIMMB-IAGOWNOFSA-N 2 0 309.498 2.698 20 0 DFADRP CC(C)C[NH+]1CCN(CC[N@H+](C)Cc2ccc(F)cc2)CC1 ZINC000185142551 542809712 /nfs/dbraw/zinc/80/97/12/542809712.db2.gz XMSXZKBBWHXNBF-UHFFFAOYSA-N 2 0 307.457 2.531 20 0 DFADRP [NH3+]C1(C(=O)Nc2ccc(CC[NH+]3CCCC3)cc2)CCCC1 ZINC000237953054 542908131 /nfs/dbraw/zinc/90/81/31/542908131.db2.gz IDRKRVZJBGJPLV-UHFFFAOYSA-N 2 0 301.434 2.535 20 0 DFADRP Cc1ccc([C@@H](CNC(=O)[C@H]([NH3+])CC(C)C)[NH+]2CCCC2)cc1 ZINC000236718887 542896907 /nfs/dbraw/zinc/89/69/07/542896907.db2.gz ORIWPECKVRGYTP-QZTJIDSGSA-N 2 0 317.477 2.622 20 0 DFADRP CC1(C)C[NH2+]CC[C@@H]1NCc1sccc1Br ZINC000261599711 542952081 /nfs/dbraw/zinc/95/20/81/542952081.db2.gz ZYOUPLKQOLZLJV-NSHDSACASA-N 2 0 303.269 2.988 20 0 DFADRP c1cnn(-c2ccccc2C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)c1 ZINC000261621399 542952232 /nfs/dbraw/zinc/95/22/32/542952232.db2.gz AYDCMJASPHYTEK-OKZBNKHCSA-N 2 0 310.445 2.883 20 0 DFADRP OC[C@H]1CCC[N@@H+]1CCCC[NH2+][C@H]1CCc2ccc(F)cc21 ZINC000268896384 542961343 /nfs/dbraw/zinc/96/13/43/542961343.db2.gz KFIGENIRJABTKZ-AEFFLSMTSA-N 2 0 306.425 2.640 20 0 DFADRP C[C@H](c1nc(C2([NH3+])CCCCC2)no1)[C@@H]([NH3+])c1ccccc1 ZINC000424336900 296503603 /nfs/dbraw/zinc/50/36/03/296503603.db2.gz JWUOSFLWBFNLRS-GXTWGEPZSA-N 2 0 300.406 2.991 20 0 DFADRP COC[C@@H](O)CC[NH2+]C1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC000449208867 297423089 /nfs/dbraw/zinc/42/30/89/297423089.db2.gz PUWZBEZJGFEVDH-INIZCTEOSA-N 2 0 314.514 2.653 20 0 DFADRP CC(C)(C)NC(=[NH2+])NC[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000309765098 543065678 /nfs/dbraw/zinc/06/56/78/543065678.db2.gz ZGNRCFKVVXGMFN-MRXNPFEDSA-N 2 0 302.466 2.811 20 0 DFADRP C[C@@H]([NH2+]CC(C)(C)N1CC[NH+](C)CC1)c1cc(F)ccc1F ZINC000314079816 543068595 /nfs/dbraw/zinc/06/85/95/543068595.db2.gz VITYJAZGSFPOGA-CYBMUJFWSA-N 2 0 311.420 2.641 20 0 DFADRP C[C@H]([NH2+]C[C@@H](c1ccco1)N1CCCC1)C1CC[NH+](C)CC1 ZINC000315502689 543071922 /nfs/dbraw/zinc/07/19/22/543071922.db2.gz XLFZLAHSZYNZMK-RDJZCZTQSA-N 2 0 305.466 2.736 20 0 DFADRP C[C@H]([NH2+]C[C@H](c1ccco1)N1CCCC1)C1CC[NH+](C)CC1 ZINC000315502687 543071625 /nfs/dbraw/zinc/07/16/25/543071625.db2.gz XLFZLAHSZYNZMK-DOTOQJQBSA-N 2 0 305.466 2.736 20 0 DFADRP C[C@@H]([NH2+]C[C@@H](c1ccco1)N1CCCC1)C1CC[NH+](C)CC1 ZINC000315502690 543071638 /nfs/dbraw/zinc/07/16/38/543071638.db2.gz XLFZLAHSZYNZMK-WBVHZDCISA-N 2 0 305.466 2.736 20 0 DFADRP CC[NH+](CC)Cc1ccccc1CNC(=O)[C@H]1CCC[C@@H]1C[NH3+] ZINC000321274046 543085361 /nfs/dbraw/zinc/08/53/61/543085361.db2.gz SBCNAGDLMFHVOB-QAPCUYQASA-N 2 0 317.477 2.520 20 0 DFADRP CC[NH+](CC)[C@H](CNC(=O)[C@@H]1CCC[C@H]1C[NH3+])c1ccccc1 ZINC000321587634 543086053 /nfs/dbraw/zinc/08/60/53/543086053.db2.gz WINZATVMULRDOI-RCCFBDPRSA-N 2 0 317.477 2.561 20 0 DFADRP c1cc(CN2CCC([NH+]3CCCCC3)CC2)c2c(c1)C[NH2+]CC2 ZINC000322402138 543089517 /nfs/dbraw/zinc/08/95/17/543089517.db2.gz SKAHRFJGKAMALK-UHFFFAOYSA-N 2 0 313.489 2.783 20 0 DFADRP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)CC[NH+]1CCCC[C@H]1C ZINC000339274403 543143407 /nfs/dbraw/zinc/14/34/07/543143407.db2.gz IZVHXRYJGBYUJN-IAGOWNOFSA-N 2 0 309.498 2.632 20 0 DFADRP CC[C@H]1CCCC[N@@H+]1CCNC(=O)CC[NH+]1CCCC[C@@H]1C ZINC000339274405 543143692 /nfs/dbraw/zinc/14/36/92/543143692.db2.gz IZVHXRYJGBYUJN-IRXDYDNUSA-N 2 0 309.498 2.632 20 0 DFADRP C[C@@H]1CCCC[N@@H+]1CCC(=O)NCc1ccccc1C[NH+](C)C ZINC000339275491 543143722 /nfs/dbraw/zinc/14/37/22/543143722.db2.gz LHXVWIRQTGGFME-MRXNPFEDSA-N 2 0 317.477 2.629 20 0 DFADRP C[NH+](C)[C@H](CN[C@H]1CC[N@@H+]2CCC[C@H]2C1)c1cccc(F)c1 ZINC000339066664 543139737 /nfs/dbraw/zinc/13/97/37/543139737.db2.gz CSHPIBCXRORVCX-OKZBNKHCSA-N 2 0 305.441 2.645 20 0 DFADRP COc1ccc(CCC[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)cc1OC ZINC000339069791 543140258 /nfs/dbraw/zinc/14/02/58/543140258.db2.gz LIZDMCSWEQLGCI-SJORKVTESA-N 2 0 318.461 2.853 20 0 DFADRP Cc1ccc([C@H](CN[C@@H]2CC[N@@H+]3CCC[C@H]3C2)[NH+](C)C)cc1 ZINC000339070199 543140695 /nfs/dbraw/zinc/14/06/95/543140695.db2.gz XQDDZUUQCGYJLC-QYZOEREBSA-N 2 0 301.478 2.814 20 0 DFADRP CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)c1ccc2c[nH+]cn2c1 ZINC000339828171 543147024 /nfs/dbraw/zinc/14/70/24/543147024.db2.gz SBRVWIZBNRDAEY-MRXNPFEDSA-N 2 0 314.433 2.719 20 0 DFADRP CSc1ccc(OCC[N@@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)cc1 ZINC000342101408 543161424 /nfs/dbraw/zinc/16/14/24/543161424.db2.gz KQMCOAXYHPJTPZ-RRQGHBQHSA-N 2 0 306.475 2.847 20 0 DFADRP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+]1CCCCC[C@@H]1CCO ZINC000342826657 543164625 /nfs/dbraw/zinc/16/46/25/543164625.db2.gz TYVVJZVBHGHAPT-QGZVFWFLSA-N 2 0 314.433 2.703 20 0 DFADRP CC[C@@H]([NH2+]C/C=C\C[NH2+][C@@H](CC)[C@H]1CCCO1)[C@@H]1CCCO1 ZINC000348366143 543184701 /nfs/dbraw/zinc/18/47/01/543184701.db2.gz URVHUAIKUBUHJF-JPVWCZMSSA-N 2 0 310.482 2.637 20 0 DFADRP COc1cncc(C[NH+]2CCC(CCC[NH+]3CCCC3)CC2)n1 ZINC000625270656 399871628 /nfs/dbraw/zinc/87/16/28/399871628.db2.gz VWHNJIKJLLWYIS-UHFFFAOYSA-N 2 0 318.465 2.573 20 0 DFADRP CC[C@@H](C(=O)N[C@@H](C)C[NH+](CC)CC)[N@H+](C)Cc1ccccc1 ZINC000353415578 543235161 /nfs/dbraw/zinc/23/51/61/543235161.db2.gz KRVVZALZJHARPZ-WMZOPIPTSA-N 2 0 319.493 2.744 20 0 DFADRP COC(=O)C[C@@H]1CC[C@H]([NH2+]CCC[NH+]2CCC(C)CC2)[C@@H]1C ZINC000353935415 146836589 /nfs/dbraw/zinc/83/65/89/146836589.db2.gz WOYXGQCJFACNQQ-IKGGRYGDSA-N 2 0 310.482 2.676 20 0 DFADRP C[N@@H+]1CCC[C@H]1CN[C@H]1CC[NH+](Cc2ccccc2)CC1(C)C ZINC000390915884 543308281 /nfs/dbraw/zinc/30/82/81/543308281.db2.gz UHTRNXWMQAKWJW-OALUTQOASA-N 2 0 315.505 2.971 20 0 DFADRP CC1(C[NH2+]CC2(O)CC[NH+](Cc3ccccc3)CC2)CCC1 ZINC000397490462 543310716 /nfs/dbraw/zinc/31/07/16/543310716.db2.gz IFZXPJCKUKBPIG-UHFFFAOYSA-N 2 0 302.462 2.793 20 0 DFADRP CCCC[N@@H+]1CCCC[C@H]1CNC(=O)c1ccc(C[NH3+])cc1 ZINC000166370767 145234253 /nfs/dbraw/zinc/23/42/53/145234253.db2.gz RAMNVYHLFHITGP-KRWDZBQOSA-N 2 0 303.450 2.530 20 0 DFADRP Cc1nc(C)c([C@@H](C)[NH2+]C[C@H](C(C)C)N2CC[NH+](C)CC2)s1 ZINC000170973037 145257167 /nfs/dbraw/zinc/25/71/67/145257167.db2.gz NOQWLOZOFMDGBJ-CZUORRHYSA-N 2 0 324.538 2.683 20 0 DFADRP Cc1ccccc1C[NH+]1CCN(C[C@@H]2CCCC[N@H+]2C)CC1 ZINC000171921842 145283173 /nfs/dbraw/zinc/28/31/73/145283173.db2.gz ORGKQFNKGRPEOX-IBGZPJMESA-N 2 0 301.478 2.597 20 0 DFADRP [NH3+][C@@H]1CCC[C@H]([NH2+]Cc2ccc(OC[C@@H]3CCCO3)cc2)C1 ZINC000414907705 543328061 /nfs/dbraw/zinc/32/80/61/543328061.db2.gz AVEOUCSUZHJFGD-RYRKJORJSA-N 2 0 304.434 2.604 20 0 DFADRP [NH3+][C@H]1CCC[C@H]([NH2+]Cc2ccc(F)c(Br)c2)C1 ZINC000414930687 543328247 /nfs/dbraw/zinc/32/82/47/543328247.db2.gz TYINEXYNMQPOSV-QWRGUYRKSA-N 2 0 301.203 2.948 20 0 DFADRP COc1cc(C[NH2+][C@@H]2CCC[C@H]([NH3+])C2)c(SC)cc1OC ZINC000414934630 543328351 /nfs/dbraw/zinc/32/83/51/543328351.db2.gz YBCZRHLLWVIPDY-QWHCGFSZSA-N 2 0 310.463 2.785 20 0 DFADRP COc1cc(C[NH2+][C@H]2CCC[C@H]([NH3+])C2)c(SC)cc1OC ZINC000414934633 543328379 /nfs/dbraw/zinc/32/83/79/543328379.db2.gz YBCZRHLLWVIPDY-STQMWFEESA-N 2 0 310.463 2.785 20 0 DFADRP Cc1ccc(NC(=O)C[C@H](C)[NH2+][C@@H]2CCC[C@H]([NH3+])C2)c(C)c1 ZINC000414932954 543328400 /nfs/dbraw/zinc/32/84/00/543328400.db2.gz WGAQSELTOLEVTJ-HRCADAONSA-N 2 0 303.450 2.880 20 0 DFADRP CC[NH+](CC)C[C@@H](C)NC(=O)C[C@H](c1ccccc1)[NH+](C)C ZINC000416163245 543331928 /nfs/dbraw/zinc/33/19/28/543331928.db2.gz XEZIXMDIHOIKQR-NVXWUHKLSA-N 2 0 305.466 2.526 20 0 DFADRP [NH3+][C@@H]1CCC[C@H](Nc2nccc(N3Cc4ccccc4C3)n2)C1 ZINC000630513525 399897231 /nfs/dbraw/zinc/89/72/31/399897231.db2.gz ODQRIVXOKDFMLV-CVEARBPZSA-N 2 0 309.417 2.679 20 0 DFADRP CCOc1cc2[nH+]ccc(N3C[C@@H]4C[C@H]3C[NH2+]4)c2cc1OCC ZINC000630553410 399902589 /nfs/dbraw/zinc/90/25/89/399902589.db2.gz HIFDGGYIRVCECD-STQMWFEESA-N 2 0 313.401 2.583 20 0 DFADRP C[NH+](C)Cc1cccc(NC(=O)NC2(C[NH3+])CCCCC2)c1 ZINC000630581028 399905733 /nfs/dbraw/zinc/90/57/33/399905733.db2.gz JWKSEYNMOJXCOI-UHFFFAOYSA-N 2 0 304.438 2.531 20 0 DFADRP CCC(C)(C)[NH2+][C@H](C)C(=O)N1CCC(C)([NH+]2CCCC2)CC1 ZINC000633966228 399967372 /nfs/dbraw/zinc/96/73/72/399967372.db2.gz XLYHSUMZBRYHBM-OAHLLOKOSA-N 2 0 309.498 2.630 20 0 DFADRP C[C@H]1CCC[N@H+](CCCC[NH2+]Cc2c3c(nn2C)CCCC3)C1 ZINC000631042657 399967907 /nfs/dbraw/zinc/96/79/07/399967907.db2.gz KWNGANBLGBALIS-INIZCTEOSA-N 2 0 318.509 2.901 20 0 DFADRP O=c1ccc(C[NH2+]CC2CC[NH+](Cc3ccccc3)CC2)c[nH]1 ZINC000631051771 399970323 /nfs/dbraw/zinc/97/03/23/399970323.db2.gz CJASISBVXJTDAB-UHFFFAOYSA-N 2 0 311.429 2.789 20 0 DFADRP COc1ccccc1N1CCC([NH2+]C[C@H]2CCC[N@H+](C)C2)CC1 ZINC000631069283 399974289 /nfs/dbraw/zinc/97/42/89/399974289.db2.gz SDUYCGUDSADJSC-MRXNPFEDSA-N 2 0 317.477 2.595 20 0 DFADRP COCCc1ncc(C[NH2+]C2CCC(C[NH+](C)C)CC2)s1 ZINC000631100106 399980581 /nfs/dbraw/zinc/98/05/81/399980581.db2.gz SQVYANJCGQSZGI-UHFFFAOYSA-N 2 0 311.495 2.542 20 0 DFADRP C[C@@]1(C[NH+]2CCC(CC[NH+]3CCOCC3)CC2)CCCS1 ZINC000628159502 399993130 /nfs/dbraw/zinc/99/31/30/399993130.db2.gz RSDCJCAGSCXPLK-KRWDZBQOSA-N 2 0 312.523 2.706 20 0 DFADRP C[C@@H]1C[C@H](N(C)Cc2ccc(F)c(F)c2N(C)C)CC[N@@H+]1C ZINC000628183778 399997327 /nfs/dbraw/zinc/99/73/27/399997327.db2.gz MXZJNYXREVRBIR-TZMCWYRMSA-N 2 0 311.420 2.945 20 0 DFADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C[NH2+]Cc1ccc(=O)[nH]c1 ZINC000631194912 400000821 /nfs/dbraw/zinc/00/08/21/400000821.db2.gz SEWRAECUKMDJPX-CRAIPNDOSA-N 2 0 311.429 2.645 20 0 DFADRP CC[C@@H]1CCCC[C@H]1C[NH2+][C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000628214295 400002991 /nfs/dbraw/zinc/00/29/91/400002991.db2.gz RTEZOWNHYCCMHD-SQNIBIBYSA-N 2 0 307.526 2.961 20 0 DFADRP c1nc(C2CC2)oc1C[NH2+]CC1CCN(c2cc[nH+]cc2)CC1 ZINC000628232022 400005376 /nfs/dbraw/zinc/00/53/76/400005376.db2.gz JTCYUMSFHBKOQM-UHFFFAOYSA-N 2 0 312.417 2.953 20 0 DFADRP C[N@H+](Cc1ccccc1)CC(C)(C)C[NH2+]CC[C@H](O)C(F)F ZINC000631216908 400006445 /nfs/dbraw/zinc/00/64/45/400006445.db2.gz OZYKCMMAABIKAY-HNNXBMFYSA-N 2 0 314.420 2.750 20 0 DFADRP C[NH+](C)CCN(CC[NH+](C)C)Cc1c(F)ccc(F)c1Cl ZINC000628278784 400012564 /nfs/dbraw/zinc/01/25/64/400012564.db2.gz HKRXRTJBZHRCLY-UHFFFAOYSA-N 2 0 319.827 2.543 20 0 DFADRP CN(CC[N@H+](C)Cc1ccc2[nH]ccc2c1)C1CC[NH+](C)CC1 ZINC000628278106 400012780 /nfs/dbraw/zinc/01/27/80/400012780.db2.gz ZVTDVXPTRCHHTM-UHFFFAOYSA-N 2 0 314.477 2.626 20 0 DFADRP FC(F)(F)CCN1CCC([NH2+][C@H]2CCCn3nccc32)CC1 ZINC000631298504 400020539 /nfs/dbraw/zinc/02/05/39/400020539.db2.gz LQPSQPGBSFVKBL-ZDUSSCGKSA-N 2 0 316.371 2.724 20 0 DFADRP Cc1ccc([C@@H](C)C[NH+]2CCC([N@@H+]3CC[C@@H](O)C3)CC2)cc1 ZINC000628352122 400024762 /nfs/dbraw/zinc/02/47/62/400024762.db2.gz XTCSJFJUNFOOFI-QFBILLFUSA-N 2 0 302.462 2.630 20 0 DFADRP C[N@@H+]1CCCC[C@@H](C[NH2+]CCCc2ccc3c(c2)CCO3)C1 ZINC000628425430 400031433 /nfs/dbraw/zinc/03/14/33/400031433.db2.gz KNZCVRLGJPVLEY-KRWDZBQOSA-N 2 0 302.462 2.876 20 0 DFADRP C[NH+](C)[C@H](CC(=O)NC[C@@H]1CCCC[N@H+](C)C1)c1ccccc1 ZINC000628747380 400052011 /nfs/dbraw/zinc/05/20/11/400052011.db2.gz PEHKHJCQYTVNJE-FUHWJXTLSA-N 2 0 317.477 2.528 20 0 DFADRP COc1cccc2c1OCCC[C@@H]2[NH2+]C[C@H]1CC[N@@H+](C2CC2)C1 ZINC000631566134 400052040 /nfs/dbraw/zinc/05/20/40/400052040.db2.gz LQYCFQYJOHRDAV-PBHICJAKSA-N 2 0 316.445 2.983 20 0 DFADRP CCC[NH+](CCC)CCCC(=O)NC[C@H]1CCCC[N@H+](C)C1 ZINC000628747855 400052186 /nfs/dbraw/zinc/05/21/86/400052186.db2.gz CPNUMHOXLYESNB-QGZVFWFLSA-N 2 0 311.514 2.737 20 0 DFADRP C[C@H](CCCCO)[NH2+]C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000631664313 400064093 /nfs/dbraw/zinc/06/40/93/400064093.db2.gz NPSKFOOJONCONB-SCTDSRPQSA-N 2 0 304.478 2.895 20 0 DFADRP CC[NH+]1CCC(NC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)CC1 ZINC000631667162 400064246 /nfs/dbraw/zinc/06/42/46/400064246.db2.gz LQBNNVGIFBKRPB-IEBWSBKVSA-N 2 0 315.505 2.828 20 0 DFADRP O[C@H](CC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)C(F)F ZINC000631697966 400067904 /nfs/dbraw/zinc/06/79/04/400067904.db2.gz AHAPRMJFAFGWRN-NPYXIHBLSA-N 2 0 324.415 2.788 20 0 DFADRP c1csc(CN(C[C@@H]2CCCCO2)[C@@H]2CC23CC[NH2+]CC3)n1 ZINC000631824574 400077815 /nfs/dbraw/zinc/07/78/15/400077815.db2.gz KHGIUVVKXWJAEB-LSDHHAIUSA-N 2 0 321.490 2.656 20 0 DFADRP c1cc(C[NH+]2CCC([C@H]3CC[NH2+]C3)CC2)c2c(c1)COCC2 ZINC000631826512 400077918 /nfs/dbraw/zinc/07/79/18/400077918.db2.gz PLBFJQXIBKIBQY-INIZCTEOSA-N 2 0 300.446 2.581 20 0 DFADRP Cc1cc(C)c(C[N@@H+]2CCC[C@H]([C@@H]3C[C@@H]([NH3+])CCO3)C2)c(C)n1 ZINC000631829551 400078197 /nfs/dbraw/zinc/07/81/97/400078197.db2.gz UBAHQPOUWMFEOO-LNLFQRSKSA-N 2 0 317.477 2.725 20 0 DFADRP C[C@H]1C[N@H+](Cc2cccc(OCc3ccccn3)c2)C[C@H]1C[NH3+] ZINC000631837000 400078771 /nfs/dbraw/zinc/07/87/71/400078771.db2.gz LJJUBDRVXBBWDO-DOTOQJQBSA-N 2 0 311.429 2.687 20 0 DFADRP C[C@H]1C[N@H+](Cc2ccccc2OCC(F)(F)F)C[C@@H]1C[NH3+] ZINC000631841191 400079055 /nfs/dbraw/zinc/07/90/55/400079055.db2.gz ZLVAUZXYOYIHHS-AAEUAGOBSA-N 2 0 302.340 2.654 20 0 DFADRP CC(C)[NH2+]C1CC[NH+](CC2CCN(C(=O)C(C)(C)C)CC2)CC1 ZINC000187238085 145749654 /nfs/dbraw/zinc/74/96/54/145749654.db2.gz XAGWKXLWYNGBDP-UHFFFAOYSA-N 2 0 323.525 2.734 20 0 DFADRP C[NH+](C)CCOCC[NH2+]Cc1cc(F)cc(C(F)(F)F)c1 ZINC000231676353 146016607 /nfs/dbraw/zinc/01/66/07/146016607.db2.gz YRKLHTODDKNCBT-UHFFFAOYSA-N 2 0 308.319 2.512 20 0 DFADRP CCCC[C@@H]([NH3+])C(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000236765113 146026386 /nfs/dbraw/zinc/02/63/86/146026386.db2.gz QIPRJNGYRPPHSZ-KGLIPLIRSA-N 2 0 309.479 2.519 20 0 DFADRP C[C@@H](CCNC(=O)[C@@]1(C)CCCC[NH2+]1)[N@H+](C)Cc1ccccc1 ZINC000237561566 146046425 /nfs/dbraw/zinc/04/64/25/146046425.db2.gz QTRLXFDEVLUOJD-QFBILLFUSA-N 2 0 317.477 2.545 20 0 DFADRP CC[N@@H+]1CC[C@H]([NH+](C)CCC(=O)Nc2cccc(F)c2)[C@@H](C)C1 ZINC000245417235 146067955 /nfs/dbraw/zinc/06/79/55/146067955.db2.gz FVTSRNHLFANXEL-YOEHRIQHSA-N 2 0 321.440 2.816 20 0 DFADRP CC[C@H](C)C(=O)N(C)[C@@H]1CCCC[C@H]1[N@H+](C)C1CCN(C)CC1 ZINC000245673420 146092651 /nfs/dbraw/zinc/09/26/51/146092651.db2.gz FIOLLGILJSCZJF-CGTJXYLNSA-N 2 0 323.525 2.828 20 0 DFADRP COc1cccc(N2CC[C@H](C[NH2+][C@H]3CC[N@H+](C)[C@@H](C)C3)C2)c1 ZINC000247075474 146160254 /nfs/dbraw/zinc/16/02/54/146160254.db2.gz QLHMAVREELRQGM-BBWFWOEESA-N 2 0 317.477 2.594 20 0 DFADRP COc1cccc(N2CC[C@H](C[NH2+][C@H]3CC[N@H+](C)[C@H](C)C3)C2)c1 ZINC000247075520 146160414 /nfs/dbraw/zinc/16/04/14/146160414.db2.gz QLHMAVREELRQGM-ZACQAIPSSA-N 2 0 317.477 2.594 20 0 DFADRP CC[N@@H+]1CC[C@H](C[NH2+][C@H](C)c2cnn(Cc3ccccc3)c2)C1 ZINC000247154386 146163530 /nfs/dbraw/zinc/16/35/30/146163530.db2.gz TWFUYTAZFZBISV-SJLPKXTDSA-N 2 0 312.461 2.924 20 0 DFADRP C[C@@H]([NH2+]CCCN1CC[N@H+](C)C[C@H]1c1ccccc1)C1CC1 ZINC000247364967 146167587 /nfs/dbraw/zinc/16/75/87/146167587.db2.gz RAQAOHCHDNQBQH-APWZRJJASA-N 2 0 301.478 2.753 20 0 DFADRP CC[C@@](C)(O)C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000248883680 146173909 /nfs/dbraw/zinc/17/39/09/146173909.db2.gz LLWNBZCXWRGDKF-AKHDSKFASA-N 2 0 302.462 2.933 20 0 DFADRP O[C@@H]1CC[C@H](C[NH2+][C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]23)C1 ZINC000249038456 146184185 /nfs/dbraw/zinc/18/41/85/146184185.db2.gz GKESKQXWQQGAHL-MFKWGIFDSA-N 2 0 314.473 2.648 20 0 DFADRP CO[C@H](C)C[NH2+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000249091637 146187150 /nfs/dbraw/zinc/18/71/50/146187150.db2.gz NMUYFVYVFBWATI-OQIJWPOYSA-N 2 0 302.462 2.912 20 0 DFADRP C[C@@H](C(=O)N[C@@H]1CCCC[C@H]1C)[NH+]1CCC(CC[NH+](C)C)CC1 ZINC000249688382 146203797 /nfs/dbraw/zinc/20/37/97/146203797.db2.gz MGBHSHPUPAIHAZ-SOLBZPMBSA-N 2 0 323.525 2.734 20 0 DFADRP C[NH+](C/C=C\C[N@H+](C)CCc1ccccn1)CCc1ccccn1 ZINC000255034377 146231558 /nfs/dbraw/zinc/23/15/58/146231558.db2.gz ULLMJRKOLXRJIU-FPLPWBNLSA-N 2 0 324.472 2.682 20 0 DFADRP C[C@@H]1C[C@@H](C[N@H+](C)[C@@H]2CCN(Cc3ccccc3)C2)CC[NH2+]1 ZINC000261539618 146237631 /nfs/dbraw/zinc/23/76/31/146237631.db2.gz CWBACPSREQQLAT-NZSAHSFTSA-N 2 0 301.478 2.581 20 0 DFADRP [NH3+][C@@H]1CCC[C@H]([NH2+][C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)C1 ZINC000261559729 146241362 /nfs/dbraw/zinc/24/13/62/146241362.db2.gz ZGXZLSPBKDJYIQ-PXTPFGJHSA-N 3 0 313.489 2.757 20 0 DFADRP FC(F)(F)Oc1cccc(CN2CC[C@H]3C[NH2+]C[C@H]3C2)c1 ZINC000261600627 146243903 /nfs/dbraw/zinc/24/39/03/146243903.db2.gz BPGCRKSCAYEQCA-STQMWFEESA-N 2 0 300.324 2.627 20 0 DFADRP [NH3+][C@H]1C[C@@H]([NH2+]C2CCN(c3ccccn3)CC2)c2ccccc21 ZINC000261613510 146247046 /nfs/dbraw/zinc/24/70/46/146247046.db2.gz BIZKJAFGXMJRRE-ZWKOTPCHSA-N 2 0 308.429 2.785 20 0 DFADRP C[C@]1(C[NH3+])CCN(CC(=O)Nc2ccc(Cl)c(Cl)c2)C1 ZINC000261694144 146260962 /nfs/dbraw/zinc/26/09/62/146260962.db2.gz HTWNXAOMVJUUQE-CQSZACIVSA-N 2 0 316.232 2.603 20 0 DFADRP c1cc2c(cc1C[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1)OCCO2 ZINC000261713474 146263315 /nfs/dbraw/zinc/26/33/15/146263315.db2.gz LJLQPOCPTPZSBK-BRWVUGGUSA-N 2 0 316.445 2.858 20 0 DFADRP COc1ccc(CN2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)c(Cl)c1OC ZINC000261710942 146264165 /nfs/dbraw/zinc/26/41/65/146264165.db2.gz PBTGIHRLJJOZKX-UHTWSYAYSA-N 2 0 310.825 2.526 20 0 DFADRP CC(C)(C)c1ccc(C[N@@H+]2CC[C@H](N3CC[NH2+]CC3)C2)s1 ZINC000261731758 146267506 /nfs/dbraw/zinc/26/75/06/146267506.db2.gz RIDUFKZXSRFJPE-AWEZNQCLSA-N 2 0 307.507 2.525 20 0 DFADRP C[C@@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]CCc1ccc2c(c1)OCCO2 ZINC000261742345 146269112 /nfs/dbraw/zinc/26/91/12/146269112.db2.gz OBGBAERQWDZTJN-RDJZCZTQSA-N 2 0 318.461 2.901 20 0 DFADRP O=C(C[C@H]1CCC[N@@H+]1C[C@H]1CCC[NH2+]C1)c1ccc(F)cc1 ZINC000261751422 146270465 /nfs/dbraw/zinc/27/04/65/146270465.db2.gz CEQCDPYLOXJQDZ-WMLDXEAASA-N 2 0 304.409 2.863 20 0 DFADRP c1cc2c(cc1CC[NH2+][C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1)OCCO2 ZINC000261752557 146271121 /nfs/dbraw/zinc/27/11/21/146271121.db2.gz PCPXVPFBINSVQU-BRWVUGGUSA-N 2 0 316.445 2.511 20 0 DFADRP C[NH2+]C[C@@H]1CCC[N@H+](Cc2ccc(-c3cnn(C)c3)s2)C1 ZINC000261766569 146272831 /nfs/dbraw/zinc/27/28/31/146272831.db2.gz DJOJDRIKFQJABW-ZDUSSCGKSA-N 2 0 304.463 2.580 20 0 DFADRP C[C@@H]1CN(C[C@H]2CCC[NH2+]C2)[C@@H](C)C[N@@H+]1Cc1ccccc1 ZINC000261774088 146275141 /nfs/dbraw/zinc/27/51/41/146275141.db2.gz DYQJCQXKAMGNDV-AOIWGVFYSA-N 2 0 301.478 2.581 20 0 DFADRP [NH3+]C[C@H]1CCCC[C@@H]1Nc1ncnc2c1cnn2-c1ccccc1 ZINC000261791610 146277063 /nfs/dbraw/zinc/27/70/63/146277063.db2.gz YZFBEUXFIBWOAA-CJNGLKHVSA-N 2 0 322.416 2.745 20 0 DFADRP CC[NH+](CC)CC1CCN(C(=O)C[C@H]([NH3+])c2ccccc2)CC1 ZINC000261800818 146279340 /nfs/dbraw/zinc/27/93/40/146279340.db2.gz UUDKVGHPFFHJKX-SFHVURJKSA-N 2 0 317.477 2.657 20 0 DFADRP C[C@]1(C[NH3+])CC[N@H+](CCOc2ccc(C(F)(F)F)cc2)C1 ZINC000261813786 146281180 /nfs/dbraw/zinc/28/11/80/146281180.db2.gz PAZREYWIPSTHFI-CQSZACIVSA-N 2 0 302.340 2.755 20 0 DFADRP CN(CC(C)(C)[NH3+])[C@@H]1CCOc2ccc(Br)cc21 ZINC000261820614 146283425 /nfs/dbraw/zinc/28/34/25/146283425.db2.gz QMWDFLWGWUPSCL-GFCCVEGCSA-N 2 0 313.239 2.942 20 0 DFADRP COc1cc(C[NH+]2CCC([C@@H]3CCC[NH2+]3)CC2)cc(OC)c1 ZINC000261836733 146286370 /nfs/dbraw/zinc/28/63/70/146286370.db2.gz CAKDVGDMVCPJAU-SFHVURJKSA-N 2 0 304.434 2.668 20 0 DFADRP COc1ccc(CC[N@@H+]2C[C@@H](C[NH3+])[C@H](c3ccccc3)C2)cc1 ZINC000261844749 146287614 /nfs/dbraw/zinc/28/76/14/146287614.db2.gz USDZQJNYYXQUSF-QUCCMNQESA-N 2 0 310.441 2.912 20 0 DFADRP C[C@@H]1CCC[C@@](CNC(=O)c2ccc3c(c2)C[NH2+]C3)([NH+](C)C)C1 ZINC000261854632 146290273 /nfs/dbraw/zinc/29/02/73/146290273.db2.gz JVMJPUKWOHRHRV-AUUYWEPGSA-N 2 0 315.461 2.530 20 0 DFADRP C[C@@]1(CN2CCC(C(=O)c3cc(F)ccc3F)CC2)CC[NH2+]C1 ZINC000261906067 146298916 /nfs/dbraw/zinc/29/89/16/146298916.db2.gz XABVLCDKTNTJOH-GOSISDBHSA-N 2 0 322.399 2.859 20 0 DFADRP Clc1ccc2nc(C[NH+]3CCC([C@H]4CCC[NH2+]4)CC3)cn2c1 ZINC000261914240 146300594 /nfs/dbraw/zinc/30/05/94/146300594.db2.gz GTDAJWPAZBRWEU-MRXNPFEDSA-N 2 0 318.852 2.952 20 0 DFADRP C[C@@H](NC(=O)C[NH+]1CCC([C@H](C)[NH3+])CC1)c1ccccc1Cl ZINC000261927458 146303869 /nfs/dbraw/zinc/30/38/69/146303869.db2.gz IZEBJHPJOPOHFG-QWHCGFSZSA-N 2 0 323.868 2.576 20 0 DFADRP COc1ccc([C@@H]2CCCN2C[C@@]2(C)CC[NH2+]C2)c(OC)c1 ZINC000261929068 146304086 /nfs/dbraw/zinc/30/40/86/146304086.db2.gz CNGRGHGJPYGAGJ-WMZOPIPTSA-N 2 0 304.434 2.840 20 0 DFADRP O=C(NC[C@@H]1CCC[N@H+](CCC2CCCCC2)C1)[C@H]1CCC[NH2+]1 ZINC000261944548 146307405 /nfs/dbraw/zinc/30/74/05/146307405.db2.gz VJCRODQKEYZXTE-ZWKOTPCHSA-N 2 0 321.509 2.537 20 0 DFADRP CC[C@@H](c1ccc(Cl)cc1)[N@@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000261946206 146307728 /nfs/dbraw/zinc/30/77/28/146307728.db2.gz MFQWVIPFPBEPIM-HOCLYGCPSA-N 2 0 323.868 2.578 20 0 DFADRP [NH3+][C@H](CC1CCCCC1)C(=O)N1CCC([NH+]2CCCCC2)CC1 ZINC000261963186 146309880 /nfs/dbraw/zinc/30/98/80/146309880.db2.gz XZUXIXQPNWEWNV-GOSISDBHSA-N 2 0 321.509 2.761 20 0 DFADRP C[C@@]1(C[N@@H+]2CCC[C@@H](c3cc(C(F)(F)F)n[nH]3)C2)CC[NH2+]C1 ZINC000261964114 146309917 /nfs/dbraw/zinc/30/99/17/146309917.db2.gz HOOLKLQDQGQYHS-BXUZGUMPSA-N 2 0 316.371 2.608 20 0 DFADRP C[C@]1(C[N@@H+]2CCC[C@@H]2C[C@@H](O)c2ccc(F)cc2)CC[NH2+]C1 ZINC000261977866 146313871 /nfs/dbraw/zinc/31/38/71/146313871.db2.gz IXLUWVNNPMVQIA-KURKYZTESA-N 2 0 306.425 2.713 20 0 DFADRP Cc1ccc2c(C[N@H+]3CC[C@@H](C)[C@H](C[NH3+])C3)cc(=O)oc2c1 ZINC000261987392 146316763 /nfs/dbraw/zinc/31/67/63/146316763.db2.gz BAJDACCXUXGBST-UKRRQHHQSA-N 2 0 300.402 2.518 20 0 DFADRP CC(=O)Nc1ccc(C[NH+]2CCC([C@H]3CCC[NH2+]3)CC2)cc1 ZINC000261986935 146317733 /nfs/dbraw/zinc/31/77/33/146317733.db2.gz SHUXPRUNLZVLKD-GOSISDBHSA-N 2 0 301.434 2.609 20 0 DFADRP COC(=O)c1ccc(Cl)c(C[NH+]2CCC([C@H](C)[NH3+])CC2)c1 ZINC000261999303 146319551 /nfs/dbraw/zinc/31/95/51/146319551.db2.gz TXGYEDJFWHSDJN-NSHDSACASA-N 2 0 310.825 2.686 20 0 DFADRP C[NH2+]CCC1CC[NH+]([C@@H](C)C(=O)Nc2ccc(C)c(F)c2)CC1 ZINC000262003747 146321335 /nfs/dbraw/zinc/32/13/35/146321335.db2.gz QOIRXRIDMNMFCF-AWEZNQCLSA-N 2 0 321.440 2.783 20 0 DFADRP C[NH2+]CCC1CC[NH+]([C@@H](C)C(=O)Nc2cc(F)ccc2C)CC1 ZINC000262010325 146322569 /nfs/dbraw/zinc/32/25/69/146322569.db2.gz TUDMNJPBYGBSHT-AWEZNQCLSA-N 2 0 321.440 2.783 20 0 DFADRP C[C@@H](C(=O)Nc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1)C1C[NH2+]C1 ZINC000262029862 146324542 /nfs/dbraw/zinc/32/45/42/146324542.db2.gz BJORTWMFGHTXNC-HUUCEWRRSA-N 2 0 315.461 2.713 20 0 DFADRP CC[NH+](CC)CCN(Cc1ccccc1)C[C@@]1(C)CC[NH2+]C1 ZINC000262112388 146334258 /nfs/dbraw/zinc/33/42/58/146334258.db2.gz WOAYRVDYHGPQHS-IBGZPJMESA-N 2 0 303.494 2.830 20 0 DFADRP c1ccc2c(c1)C[C@H](C[NH2+][C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1)O2 ZINC000262326105 146351152 /nfs/dbraw/zinc/35/11/52/146351152.db2.gz RQDNJUXMYZZKBZ-XMTFNYHQSA-N 2 0 300.446 2.891 20 0 DFADRP c1cc(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)cc2c1OCO2 ZINC000262322425 146351476 /nfs/dbraw/zinc/35/14/76/146351476.db2.gz RHJLICVKGGYPIB-BZUAXINKSA-N 2 0 302.418 2.816 20 0 DFADRP C[NH+](C)[C@H](CNC(=O)[C@@H]([NH3+])CC1CCCCC1)c1cccs1 ZINC000262480879 146363680 /nfs/dbraw/zinc/36/36/80/146363680.db2.gz JYCOVCDEBFKXQB-LSDHHAIUSA-N 2 0 323.506 2.765 20 0 DFADRP C[C@@H](C(=O)N(CCC[NH3+])Cc1ccccc1)[NH+]1CCCCCC1 ZINC000262495655 146364303 /nfs/dbraw/zinc/36/43/03/146364303.db2.gz WHLMISWCJVYVQY-KRWDZBQOSA-N 2 0 317.477 2.629 20 0 DFADRP COc1cc(C[N@H+](C)[C@H]2CCC[NH2+]CC2)ccc1OC(F)F ZINC000262562280 146372632 /nfs/dbraw/zinc/37/26/32/146372632.db2.gz VTDTYMWFMUDPJY-ZDUSSCGKSA-N 2 0 314.376 2.871 20 0 DFADRP CC[NH+](CC)[C@@H](CNC(=O)[C@@H]([NH3+])c1ccc(C)cc1)CC(C)C ZINC000262667920 146380580 /nfs/dbraw/zinc/38/05/80/146380580.db2.gz QFTRAXGWOCWKBH-MSOLQXFVSA-N 2 0 319.493 2.868 20 0 DFADRP Cc1ccc([C@H]([NH3+])C(=O)NC[C@H](C2CCCCC2)[NH+](C)C)cc1 ZINC000262681676 146381494 /nfs/dbraw/zinc/38/14/94/146381494.db2.gz WFKWHBRPVOKQOA-MSOLQXFVSA-N 2 0 317.477 2.622 20 0 DFADRP CCC[NH+]1CCC(C[NH2+][C@@H]2CC[C@@H](CC(=O)OC)[C@H]2C)CC1 ZINC000354352120 147004709 /nfs/dbraw/zinc/00/47/09/147004709.db2.gz ONLADVRNUOFJGC-HYVNUMGLSA-N 2 0 310.482 2.676 20 0 DFADRP CCC[NH+]1CCC(C[NH2+][C@@H]2CC[C@H](CC(=O)OC)[C@@H]2C)CC1 ZINC000354352121 147004943 /nfs/dbraw/zinc/00/49/43/147004943.db2.gz ONLADVRNUOFJGC-USXIJHARSA-N 2 0 310.482 2.676 20 0 DFADRP C[C@@H](C(=O)Nc1cccc(Cl)c1)[NH+]1CCC(C[NH+](C)C)CC1 ZINC000354420710 147029867 /nfs/dbraw/zinc/02/98/67/147029867.db2.gz ZMFRUHJNSUZXBN-ZDUSSCGKSA-N 2 0 323.868 2.941 20 0 DFADRP Cc1ccc2[nH+]ccc(NC[C@]3([NH+](C)C)CCSC3)c2c1 ZINC000354579480 147086961 /nfs/dbraw/zinc/08/69/61/147086961.db2.gz PHOYPVMDSPOHFF-QGZVFWFLSA-N 2 0 301.459 2.814 20 0 DFADRP c1nc(C2CC2)c(C[NH+]2CCC(C[NH+]3CCOCC3)CC2)s1 ZINC000495077462 543417201 /nfs/dbraw/zinc/41/72/01/543417201.db2.gz FHYXBMXQRJOCMD-UHFFFAOYSA-N 2 0 321.490 2.565 20 0 DFADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)[C@@H]1CCCC1(C)C ZINC000355282779 147251033 /nfs/dbraw/zinc/25/10/33/147251033.db2.gz SBGGVIBBEKEUBW-SJORKVTESA-N 2 0 323.525 2.687 20 0 DFADRP C[NH+](C)CCN(C(=O)c1cccc(C[NH+](C)C)c1)C1CCCC1 ZINC000355347974 147278355 /nfs/dbraw/zinc/27/83/55/147278355.db2.gz VBNUHVWTSWPPIW-UHFFFAOYSA-N 2 0 317.477 2.695 20 0 DFADRP C[C@H]1CC[C@H](C)[NH+]1CC(=O)N1CC[NH+](CC2CCCCC2)CC1 ZINC000355405468 147301799 /nfs/dbraw/zinc/30/17/99/147301799.db2.gz ATORFROJABYDHR-IRXDYDNUSA-N 2 0 321.509 2.584 20 0 DFADRP Cc1cc(NC(=O)CC[N@H+]2CCCC[C@H]2C)cn2ccnc12 ZINC000355407335 147303611 /nfs/dbraw/zinc/30/36/11/147303611.db2.gz ZOXAACBBAOUKRH-CQSZACIVSA-N 2 0 300.406 2.846 20 0 DFADRP OC[C@H](CC1CCC1)[NH2+][C@@H]1CCCN(Cc2ccccc2)C1 ZINC000355509390 147342314 /nfs/dbraw/zinc/34/23/14/147342314.db2.gz AXXUICYXYDUFCO-MOPGFXCFSA-N 2 0 302.462 2.792 20 0 DFADRP C[S@](=O)c1ccc(CNC2CC([NH+]3CCCCC3)C2)cc1 ZINC000355597876 147378410 /nfs/dbraw/zinc/37/84/10/147378410.db2.gz FQBZPFACEKRRCW-BUNACBEFSA-N 2 0 306.475 2.531 20 0 DFADRP CC(C)[NH+]1CCC(O)(C[NH2+]C/C=C/c2ccc(F)cc2F)CC1 ZINC000350071942 285998970 /nfs/dbraw/zinc/99/89/70/285998970.db2.gz ALUXRSDFBBBAEM-ONEGZZNKSA-N 2 0 324.415 2.803 20 0 DFADRP CC(C)COc1ccccc1CN1CCC([N@H+](C)CCO)CC1 ZINC000357639793 148066732 /nfs/dbraw/zinc/06/67/32/148066732.db2.gz XKPWLVIAMZWFHG-UHFFFAOYSA-N 2 0 320.477 2.610 20 0 DFADRP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)[C@@]2(C)CCCC[NH2+]2)C1 ZINC000357787217 148122378 /nfs/dbraw/zinc/12/23/78/148122378.db2.gz GKPGXPCSVBVQEB-ZHALLVOQSA-N 2 0 321.509 2.632 20 0 DFADRP C[C@H](C(=O)NCCC[N@H+]1C[C@H](C)C[C@H](C)C1)[NH+]1CCCCCC1 ZINC000357807246 148131305 /nfs/dbraw/zinc/13/13/05/148131305.db2.gz BVGYQPUGFDANGG-FGTMMUONSA-N 2 0 323.525 2.735 20 0 DFADRP CCC[NH+](CCC)CCCC(=O)N1CCC(C[NH+](C)C)CC1 ZINC000358015290 148212512 /nfs/dbraw/zinc/21/25/12/148212512.db2.gz OZXGWYWBVYXZDP-UHFFFAOYSA-N 2 0 311.514 2.689 20 0 DFADRP C[C@H]1CN(C)C[C@@H]1[NH2+]Cc1cc(Cl)c2c(c1)OCCCO2 ZINC000358056663 148228112 /nfs/dbraw/zinc/22/81/12/148228112.db2.gz DVAOTBJGBSFTAX-FZMZJTMJSA-N 2 0 310.825 2.541 20 0 DFADRP CC(C)(C)[NH+]1CCC([NH2+]C[C@H](CO)Cc2ccc(F)cc2)CC1 ZINC000358186849 148277102 /nfs/dbraw/zinc/27/71/02/148277102.db2.gz JBLIBERHJJVMEP-MRXNPFEDSA-N 2 0 322.468 2.829 20 0 DFADRP C[C@@H]1CCCC[N@@H+]1CCC1CCN(C(=O)[C@H]2CCC[NH+]2C)CC1 ZINC000358193444 148280436 /nfs/dbraw/zinc/28/04/36/148280436.db2.gz YLYZLFMNWUXMJX-SJLPKXTDSA-N 2 0 321.509 2.584 20 0 DFADRP CC(C)(C)[C@@H]1C[C@@H]([NH2+]Cc2cc(C3CC[NH2+]CC3)no2)CCO1 ZINC000425894420 296603280 /nfs/dbraw/zinc/60/32/80/296603280.db2.gz GMWUIGZXWZKVIL-YOEHRIQHSA-N 2 0 321.465 2.825 20 0 DFADRP CC[NH+](CC)CCOCC[NH2+]Cc1cc(Cl)ccc1F ZINC000350325904 286028601 /nfs/dbraw/zinc/02/86/01/286028601.db2.gz YNBWOINPIWBTDR-UHFFFAOYSA-N 2 0 302.821 2.927 20 0 DFADRP C[NH+](C)Cc1ccc(-c2noc(C34CCC[NH+]3CCC4)n2)cc1 ZINC000350506916 286052283 /nfs/dbraw/zinc/05/22/83/286052283.db2.gz KDMCOGKGMMUKHR-UHFFFAOYSA-N 2 0 312.417 2.883 20 0 DFADRP Cc1cc(NC[C@@]2([NH+](C)C)CCSC2)c2cc(F)ccc2[nH+]1 ZINC000360883797 148964767 /nfs/dbraw/zinc/96/47/67/148964767.db2.gz LXCFLTHKCIWGQJ-KRWDZBQOSA-N 2 0 319.449 2.953 20 0 DFADRP C[C@H]([NH2+][C@@H]1CCN(C2CC2)C1)c1cccc(OCC[NH+](C)C)c1 ZINC000361075562 149023151 /nfs/dbraw/zinc/02/31/51/149023151.db2.gz HJKMDUJVOSWSLY-DOTOQJQBSA-N 3 0 317.477 2.514 20 0 DFADRP CCO[C@@H]1C[C@H]([NH2+]C2CC[NH+]([C@@H]3CCCC[C@@H]3C)CC2)[C@H]1OC ZINC000361170260 149045584 /nfs/dbraw/zinc/04/55/84/149045584.db2.gz YCUADSVLDPLHBY-UKNAQKAOSA-N 2 0 324.509 2.812 20 0 DFADRP C1CC2(C1)[C@H]([NH2+]C1CC[NH+](C3CCCC3)CC1)[C@@H]1CCO[C@H]12 ZINC000361180938 149047603 /nfs/dbraw/zinc/04/76/03/149047603.db2.gz YULCEVCKMLNRJC-RCCFBDPRSA-N 2 0 304.478 2.941 20 0 DFADRP Cc1ccc(C)c([C@H](C)[NH2+]CCC[N@@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000361176901 149047665 /nfs/dbraw/zinc/04/76/65/149047665.db2.gz XTXNAXBJVKWJQR-DLBZAZTESA-N 2 0 317.477 2.541 20 0 DFADRP CO[C@H](C)[C@@H](C)[NH2+]Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000361340567 149090199 /nfs/dbraw/zinc/09/01/99/149090199.db2.gz GDABPJKWGNAMHB-HZPDHXFCSA-N 2 0 306.450 2.674 20 0 DFADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)CC(C)(C)CC ZINC000362630198 149329018 /nfs/dbraw/zinc/32/90/18/149329018.db2.gz GNZIKGYFLLCKBN-MRXNPFEDSA-N 2 0 311.514 2.687 20 0 DFADRP Cc1cc(C)cc(NC(=O)[C@@H](C)[NH+]2CCC(C[NH+](C)C)CC2)c1 ZINC000350917103 286099730 /nfs/dbraw/zinc/09/97/30/286099730.db2.gz HOLXVJMRMWFGSO-MRXNPFEDSA-N 2 0 317.477 2.904 20 0 DFADRP Cc1ccc([C@@H]([NH2+]C[C@@H](C)N2CC[NH+](C)CC2)C2CC2)cc1 ZINC000091333351 292205161 /nfs/dbraw/zinc/20/51/61/292205161.db2.gz GQHJXBLWHRNDIC-VQIMIIECSA-N 2 0 301.478 2.672 20 0 DFADRP c1cn(-c2ccc(C[N@@H+]3C[C@@H]4C[NH+]5CCCC[C@@H]5[C@H]4C3)cc2)cn1 ZINC000362925521 149399081 /nfs/dbraw/zinc/39/90/81/149399081.db2.gz JVCDUAZNIZOUJG-YZGWKJHDSA-N 2 0 322.456 2.788 20 0 DFADRP CCC[C@@H]([NH2+]C(C)C)C(=O)NC[C@H](c1ccsc1)[NH+](C)C ZINC000351261637 286118820 /nfs/dbraw/zinc/11/88/20/286118820.db2.gz XIQRPQMWNMJESY-HUUCEWRRSA-N 2 0 311.495 2.634 20 0 DFADRP Cc1ccc([C@H]2CCCCCN2C[C@H](O)C[N@@H+](C)C2CC2)o1 ZINC000351512619 286140427 /nfs/dbraw/zinc/14/04/27/286140427.db2.gz HJNNTZVRFRDVIJ-IAGOWNOFSA-N 2 0 306.450 2.960 20 0 DFADRP COC[C@@H]([NH2+]CC1CC[NH+](CCc2ccccc2)CC1)C1CC1 ZINC000370636684 149958364 /nfs/dbraw/zinc/95/83/64/149958364.db2.gz IKJRULBBLMPLLP-HXUWFJFHSA-N 2 0 316.489 2.956 20 0 DFADRP O[C@@H](Cc1ccccc1)C[N@@H+]1CCC[C@@H](C[NH+]2CCCCC2)C1 ZINC000371196059 150001257 /nfs/dbraw/zinc/00/12/57/150001257.db2.gz BPOKYCBBLWLROF-PMACEKPBSA-N 2 0 316.489 2.788 20 0 DFADRP C[NH+](C)Cc1ccc(NC(=O)[C@@]2([NH+](C)C)CCCSC2)cc1 ZINC000371243032 150009674 /nfs/dbraw/zinc/00/96/74/150009674.db2.gz RLXLBZODXAURNP-QGZVFWFLSA-N 2 0 321.490 2.514 20 0 DFADRP Cc1ccccc1OCC[N@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@@H]21 ZINC000371295681 150017976 /nfs/dbraw/zinc/01/79/76/150017976.db2.gz UHWSJEPUDPKHRE-JENIJYKNSA-N 2 0 318.461 2.557 20 0 DFADRP C[N@H+](C[C@@H]1CC12CC[NH+](CC[C@H]1CCC[NH+]1C)CC2)C1CC1 ZINC000371322050 150022302 /nfs/dbraw/zinc/02/23/02/150022302.db2.gz VOKNMIMVMTUVSE-DLBZAZTESA-N 2 0 305.510 2.667 20 0 DFADRP Cn1cc(-c2ccccc2C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)cn1 ZINC000371429398 150045695 /nfs/dbraw/zinc/04/56/95/150045695.db2.gz DBQRXGDJDJPVAJ-ROUUACIJSA-N 2 0 310.445 2.804 20 0 DFADRP CC[N@@H+]1CC[C@@H]([NH2+]C2CCC(c3nc(C)no3)CC2)[C@H](C)C1 ZINC000371446231 150047320 /nfs/dbraw/zinc/04/73/20/150047320.db2.gz CBFORYHLJWZCFL-TWRYWWQQSA-N 2 0 306.454 2.724 20 0 DFADRP CC[N@@H+]1CC[C@H](C[NH2+][C@@H]2CCCOc3cc(OC)ccc32)C1 ZINC000371877200 150107674 /nfs/dbraw/zinc/10/76/74/150107674.db2.gz TXIXNKKAEKXWEY-RHSMWYFYSA-N 2 0 304.434 2.840 20 0 DFADRP C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@@H]1[NH2+]CCC[C@@H]1CCCCO1 ZINC000371889662 150110219 /nfs/dbraw/zinc/11/02/19/150110219.db2.gz ZCAYLMYUYZSXEI-XWSJACJDSA-N 2 0 324.509 2.815 20 0 DFADRP Cn1ccnc1CC1CC[NH+](CC[C@H]2CCCC[N@@H+]2C)CC1 ZINC000372018756 150126200 /nfs/dbraw/zinc/12/62/00/150126200.db2.gz KYUGNEQXSIKKII-QGZVFWFLSA-N 2 0 304.482 2.549 20 0 DFADRP C[N@@H+]1CC[C@H](CNC(=O)C2([NH3+])CCCCC2)[C@H]1c1cccs1 ZINC000372097820 150136702 /nfs/dbraw/zinc/13/67/02/150136702.db2.gz CYEBOEJKDQHZOK-HIFRSBDPSA-N 2 0 321.490 2.519 20 0 DFADRP C[N@@H+]1CC[C@H](CNC(=O)CCCCCC[NH3+])[C@@H]1c1cccs1 ZINC000372098239 150137161 /nfs/dbraw/zinc/13/71/61/150137161.db2.gz HXPZTXPAAJOXBR-RHSMWYFYSA-N 2 0 323.506 2.766 20 0 DFADRP C[NH+](C)Cc1cccc(C(=O)N2CCCc3cc(C[NH3+])ccc32)c1 ZINC000372117822 150139580 /nfs/dbraw/zinc/13/95/80/150139580.db2.gz ZSGSQTHZLGUMSC-UHFFFAOYSA-N 2 0 323.440 2.800 20 0 DFADRP Cc1ccc(C)c(C[N@@H+](C)[C@H]2CCN(C3CC[NH+](C)CC3)C2)c1 ZINC000372364069 150168425 /nfs/dbraw/zinc/16/84/25/150168425.db2.gz DERZILQEPDIMPI-FQEVSTJZSA-N 2 0 315.505 2.904 20 0 DFADRP Cc1ccc(F)cc1C[N@@H+](C)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000372459837 150175869 /nfs/dbraw/zinc/17/58/69/150175869.db2.gz JKPLDSVNKITVDS-IBGZPJMESA-N 2 0 319.468 2.734 20 0 DFADRP C[C@H](c1cnccn1)[NH+]1CCC(C[NH+]2CCC(C)CC2)CC1 ZINC000372512058 150178278 /nfs/dbraw/zinc/17/82/78/150178278.db2.gz JVQMKRHRNBRRIR-MRXNPFEDSA-N 2 0 302.466 2.982 20 0 DFADRP Cc1nnc([C@@H](C)[N@H+](C)CC2CCN(c3cc[nH+]cc3)CC2)o1 ZINC000372949020 150206085 /nfs/dbraw/zinc/20/60/85/150206085.db2.gz SBBWILGIPJZACH-CYBMUJFWSA-N 2 0 315.421 2.682 20 0 DFADRP Cc1nc2c(c(N(C)C[C@H]3CCn4ccnc4C3)n1)CCCC2 ZINC000373042940 150220008 /nfs/dbraw/zinc/22/00/08/150220008.db2.gz ADBAXBZYXDFEPU-AWEZNQCLSA-N 2 0 311.433 2.559 20 0 DFADRP CO[C@H]1CC[C@H]([NH2+]Cc2nc3c(s2)CN(C(C)C)CC3)C1 ZINC000373762958 150254025 /nfs/dbraw/zinc/25/40/25/150254025.db2.gz KXIBSCNGSLKKQK-STQMWFEESA-N 2 0 309.479 2.567 20 0 DFADRP COCCN1CC[C@H]([NH2+]C2CC(C)(c3ccc(F)cc3)C2)C1 ZINC000373785229 150257143 /nfs/dbraw/zinc/25/71/43/150257143.db2.gz BTJCQJMWRXOLHG-AOCRQIFASA-N 2 0 306.425 2.556 20 0 DFADRP COc1cccc(CN2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@H]32)c1F ZINC000373858528 150268311 /nfs/dbraw/zinc/26/83/11/150268311.db2.gz HKTGCOMDMHYEOS-BFYDXBDKSA-N 2 0 322.424 2.518 20 0 DFADRP Cc1cccc(C2CC([NH2+]CCN3CC[N@@H+](C)C(C)(C)C3)C2)c1 ZINC000374231897 150326487 /nfs/dbraw/zinc/32/64/87/150326487.db2.gz SIIBUCAHFIVIRI-UHFFFAOYSA-N 2 0 315.505 2.857 20 0 DFADRP C[C@@H]1C[N@H+](CCCc2ccccc2)CCN1C1CC[NH+](C)CC1 ZINC000374257357 150330703 /nfs/dbraw/zinc/33/07/03/150330703.db2.gz DQNLCCWIZRTAFK-GOSISDBHSA-N 2 0 315.505 2.720 20 0 DFADRP Cc1ccc(O)c(C[NH+]2CCC3(C[C@H]3C[N@@H+](C)C3CC3)CC2)n1 ZINC000374282121 150334808 /nfs/dbraw/zinc/33/48/08/150334808.db2.gz FGKDSVXZZOKQDI-HNNXBMFYSA-N 2 0 315.461 2.792 20 0 DFADRP CCO[C@@H](CC[NH+](C)C)C[NH2+][C@@H]1CCCOc2cc(F)ccc21 ZINC000182113442 286198603 /nfs/dbraw/zinc/19/86/03/286198603.db2.gz VGPRTELPUVEIMF-DOTOQJQBSA-N 2 0 324.440 2.986 20 0 DFADRP CCN(CCC[NH+]1CCCC1)C(=O)[C@H](C)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000351779657 286216742 /nfs/dbraw/zinc/21/67/42/286216742.db2.gz CFGOZUWLPKICST-BBWFWOEESA-N 2 0 309.498 2.582 20 0 DFADRP C[C@@H]([NH3+])[C@@H]1CC[N@H+](CCc2nc(-c3ccc(Cl)cc3)no2)C1 ZINC000351857456 286233118 /nfs/dbraw/zinc/23/31/18/286233118.db2.gz BMALPNVHIOQEDT-DGCLKSJQSA-N 2 0 320.824 2.602 20 0 DFADRP C[C@H]([NH3+])[C@H]1CC[N@H+](CCC(=O)Nc2cccc3ccccc32)C1 ZINC000351857425 286233271 /nfs/dbraw/zinc/23/32/71/286233271.db2.gz BEWOVQZKKAOYKV-HOCLYGCPSA-N 2 0 311.429 2.838 20 0 DFADRP CC(C)[C@H](CNC(=O)C[C@@H]1CCC[NH2+]CC1)[NH+]1CCC(C)CC1 ZINC000427328982 296653779 /nfs/dbraw/zinc/65/37/79/296653779.db2.gz JDYQJGLQHYLRQT-MSOLQXFVSA-N 2 0 323.525 2.639 20 0 DFADRP COc1ccc([C@H](C)[C@@H](C)[NH2+]C[C@@H](O)C[NH+]2CCCCC2)cc1 ZINC000247245970 286371133 /nfs/dbraw/zinc/37/11/33/286371133.db2.gz ZGFUVJPGZSBLNA-JFIYKMOQSA-N 2 0 320.477 2.624 20 0 DFADRP Cc1[nH+]ccc(NCC2([NH+]3CCCC3)CCOCC2)c1Cl ZINC000352746923 286456869 /nfs/dbraw/zinc/45/68/69/286456869.db2.gz AECCQASEGWHSFN-UHFFFAOYSA-N 2 0 309.841 2.522 20 0 DFADRP CCO[C@H]1C[C@H]([NH2+]C2CC[NH+](CC(C)C)CC2)C12CCOCC2 ZINC000186233332 286537517 /nfs/dbraw/zinc/53/75/17/286537517.db2.gz PWEGHSWCIKMBMV-ROUUACIJSA-N 2 0 324.509 2.671 20 0 DFADRP CSC1(C[NH2+][C@H]2CCO[C@@H](C(C)C)C2)CC[NH+](C)CC1 ZINC000353195285 286576546 /nfs/dbraw/zinc/57/65/46/286576546.db2.gz RIKFUCKDDXLLJS-LSDHHAIUSA-N 2 0 300.512 2.607 20 0 DFADRP C[C@H](c1ccccc1)[NH+]1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000182562662 158004846 /nfs/dbraw/zinc/00/48/46/158004846.db2.gz PDNWQVLDBHFSPA-BLMTVLTRSA-N 2 0 313.489 2.990 20 0 DFADRP C[NH+](C)CC1CCC([NH2+]C2CCN(CC(F)(F)F)CC2)CC1 ZINC000183372661 158017211 /nfs/dbraw/zinc/01/72/11/158017211.db2.gz MUBXMFNWHRVBLM-UHFFFAOYSA-N 2 0 321.431 2.723 20 0 DFADRP CC(C)CC[NH+]1CCC(C[NH2+]Cc2cn(C(C)(C)C)nn2)CC1 ZINC000191296748 158075995 /nfs/dbraw/zinc/07/59/95/158075995.db2.gz SBLANXABBZJIGP-UHFFFAOYSA-N 2 0 321.513 2.881 20 0 DFADRP CC(C)[NH+]1CCC(C(=O)N[C@@H](C)C[N@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC000246835303 158102476 /nfs/dbraw/zinc/10/24/76/158102476.db2.gz DCEYZRXCPIUUSW-BBWFWOEESA-N 2 0 323.525 2.589 20 0 DFADRP CC[N@@H+]1CC[C@@H](C[NH2+][C@H]2CCCOc3ccc(OC)cc32)C1 ZINC000246882368 158103935 /nfs/dbraw/zinc/10/39/35/158103935.db2.gz DZPXPUAGGRHCAQ-YOEHRIQHSA-N 2 0 304.434 2.840 20 0 DFADRP CC[C@H](C)[N@H+](C)CCN[C@@H]1CC[NH+](Cc2ccccn2)C[C@H]1C ZINC000246948613 158107158 /nfs/dbraw/zinc/10/71/58/158107158.db2.gz IDFFYRANPPCONS-ZIFCJYIRSA-N 2 0 318.509 2.612 20 0 DFADRP CCC[N@@H+]1CC[C@H](C[NH2+][C@H](C)c2ccc([S@@](C)=O)cc2)C1 ZINC000246947354 158107411 /nfs/dbraw/zinc/10/74/11/158107411.db2.gz HXBYOIBAEXOJHZ-VTJXTGGHSA-N 2 0 308.491 2.807 20 0 DFADRP Cc1ccc([C@H](O)C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)cc1 ZINC000246994113 158112617 /nfs/dbraw/zinc/11/26/17/158112617.db2.gz WOQIXICFMISRIV-DFQSSKMNSA-N 2 0 314.473 2.977 20 0 DFADRP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3ccc(-n4ccnc4)cc3)CC[C@H]21 ZINC000247039125 158115682 /nfs/dbraw/zinc/11/56/82/158115682.db2.gz RBNYWZUHCKAIMQ-IEBWSBKVSA-N 2 0 310.445 2.788 20 0 DFADRP CC[N@@H+]1CC[C@H]([NH2+]CCc2cc(OC)ccc2OC)[C@@H](C)C1 ZINC000247058601 158116355 /nfs/dbraw/zinc/11/63/55/158116355.db2.gz PJYPKWUNIGHRPC-YOEHRIQHSA-N 2 0 306.450 2.566 20 0 DFADRP C[C@@H]([NH2+][C@@H](C)c1cccc(OCC[NH+](C)C)c1)[C@H]1CCCO1 ZINC000247068069 158117967 /nfs/dbraw/zinc/11/79/67/158117967.db2.gz ODWZVIGGCGQRSF-HDMKZQKVSA-N 2 0 306.450 2.845 20 0 DFADRP CCCC(=O)Nc1ccc(C[NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)cc1 ZINC000247171162 158120984 /nfs/dbraw/zinc/12/09/84/158120984.db2.gz URCUNHYEHWINFW-WMLDXEAASA-N 2 0 303.450 2.998 20 0 DFADRP CCC[N@@H+]1CC[C@H](C[NH2+][C@H](C)c2ccc(-n3cncn3)cc2)C1 ZINC000247224949 158123292 /nfs/dbraw/zinc/12/32/92/158123292.db2.gz XXEUJFPPZGLXAC-HZPDHXFCSA-N 2 0 313.449 2.650 20 0 DFADRP C[N@@H+]1CCC[C@@H]2C[NH+](CCC(=O)Nc3ccccc3F)CC[C@H]21 ZINC000247972024 158154546 /nfs/dbraw/zinc/15/45/46/158154546.db2.gz JRWMIQPWMJTTRD-RHSMWYFYSA-N 2 0 319.424 2.570 20 0 DFADRP C[C@@H]1C[C@H](NC[C@H]2CCC[NH+]2Cc2ccccc2)CC[N@@H+]1C ZINC000248198531 158165102 /nfs/dbraw/zinc/16/51/02/158165102.db2.gz XVZXXVMGTVPMBD-BHIYHBOVSA-N 2 0 301.478 2.723 20 0 DFADRP c1cn(CC[NH2+][C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)cn1 ZINC000248410564 158173972 /nfs/dbraw/zinc/17/39/72/158173972.db2.gz YDMPTQOCRNZBNN-XUVXKRRUSA-N 2 0 324.472 2.773 20 0 DFADRP CC[N@@H+]1CC[C@H]([NH+](C)C[C@@H](O)CCc2ccccc2)[C@H](C)C1 ZINC000248597793 158188520 /nfs/dbraw/zinc/18/85/20/158188520.db2.gz UEJMUPWSNWHVRY-NEWSRXKRSA-N 2 0 304.478 2.642 20 0 DFADRP C[C@H](N[C@@H]1CC[N@@H+]2CCC[C@H]2C1)[C@H](c1ccccc1)[NH+](C)C ZINC000248627821 158191334 /nfs/dbraw/zinc/19/13/34/158191334.db2.gz FSNRUUGKPDLDJO-WZGPROSRSA-N 2 0 301.478 2.894 20 0 DFADRP C/C=C/C[C@H](CO)[NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]12 ZINC000248652810 158194619 /nfs/dbraw/zinc/19/46/19/158194619.db2.gz YKPORBWMBCVVTD-QXRCTJGESA-N 2 0 314.473 2.814 20 0 DFADRP C[C@H](C[C@@H](O)c1ccc(F)cc1)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000248742930 158198600 /nfs/dbraw/zinc/19/86/00/158198600.db2.gz ALQSMHUSKAKZTP-XWIXUBGPSA-N 2 0 306.425 2.853 20 0 DFADRP C[C@@H]1COCC[C@H]1[NH2+]C[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000248827392 158202883 /nfs/dbraw/zinc/20/28/83/158202883.db2.gz DGNUVCQUAIFKPL-BHIYHBOVSA-N 2 0 302.462 2.566 20 0 DFADRP C[C@@H]([NH2+]C[C@@H](O)C[NH+]1CCCCC1)[C@@H]1C[C@H]1c1ccccc1 ZINC000283405298 158214315 /nfs/dbraw/zinc/21/43/15/158214315.db2.gz QPCOVHZSKJNPBB-YSHGAJCASA-N 2 0 302.462 2.615 20 0 DFADRP CC[NH+]1CCN(c2ccc(C[NH2+][C@H]3CCC3(C)C)cn2)CC1 ZINC000342675721 158223099 /nfs/dbraw/zinc/22/30/99/158223099.db2.gz VHQFOSCOBTXSDZ-INIZCTEOSA-N 2 0 302.466 2.502 20 0 DFADRP CC(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)CC[C@H]1CCCC[NH+]1C ZINC000355101941 158274850 /nfs/dbraw/zinc/27/48/50/158274850.db2.gz IJTSPRIWGRHPLT-QZTJIDSGSA-N 2 0 323.525 2.878 20 0 DFADRP CCCn1nc(C)c(C[NH+]2CCC([C@@H]3CC[NH2+]C3)CC2)c1C ZINC000357059408 158359153 /nfs/dbraw/zinc/35/91/53/158359153.db2.gz WZRXEHVQACDBJO-QGZVFWFLSA-N 2 0 304.482 2.731 20 0 DFADRP c1cn(-c2csc(C[NH+]3CCC([C@@H]4CC[NH2+]C4)CC3)c2)cn1 ZINC000357061225 158359167 /nfs/dbraw/zinc/35/91/67/158359167.db2.gz ZTMNVHVVPCEWAQ-OAHLLOKOSA-N 2 0 316.474 2.755 20 0 DFADRP CC[NH+]1CCC(NC(=O)C[NH2+][C@@H](C)c2ccc(Cl)cc2)CC1 ZINC000357061791 158359312 /nfs/dbraw/zinc/35/93/12/158359312.db2.gz DLDUHYGZJXNDBZ-ZDUSSCGKSA-N 2 0 323.868 2.591 20 0 DFADRP CCCOc1ccc(OCC[N@@H+]2CCC3(C2)CC[NH2+]CC3)cc1 ZINC000358506367 158383414 /nfs/dbraw/zinc/38/34/14/158383414.db2.gz JPCFZSPUHLAOSN-UHFFFAOYSA-N 2 0 318.461 2.930 20 0 DFADRP CC[NH2+]CC1CC[NH+]([C@@H](C)C(=O)Nc2ccccc2C)CC1 ZINC000430596961 296798716 /nfs/dbraw/zinc/79/87/16/296798716.db2.gz KKBIJQWPXNGEKS-HNNXBMFYSA-N 2 0 303.450 2.644 20 0 DFADRP CC(C)c1ccccc1NC(=O)[C@@H](C)[NH+]1CCC(C[NH3+])CC1 ZINC000430637673 296802055 /nfs/dbraw/zinc/80/20/55/296802055.db2.gz BMYNJIMUHDUZJD-CQSZACIVSA-N 2 0 303.450 2.808 20 0 DFADRP CC(C)(C)c1ccccc1NC(=O)C[NH+]1CCC(C[NH3+])CC1 ZINC000430638734 296801927 /nfs/dbraw/zinc/80/19/27/296801927.db2.gz DFRKTJHAYNBOHH-UHFFFAOYSA-N 2 0 303.450 2.593 20 0 DFADRP CCC(CC)(CNC(=O)[C@H]([NH3+])C(C)C)[NH2+][C@H](C)c1ccccc1 ZINC000430734303 296807472 /nfs/dbraw/zinc/80/74/72/296807472.db2.gz LVLGCCLBEMSLRK-NVXWUHKLSA-N 2 0 319.493 2.996 20 0 DFADRP C[C@@H]([NH3+])C1CC[NH+](Cc2ccn(-c3ccc(F)cc3)n2)CC1 ZINC000430924670 296812302 /nfs/dbraw/zinc/81/23/02/296812302.db2.gz BEOOHCOYUQMCDF-CYBMUJFWSA-N 2 0 302.397 2.571 20 0 DFADRP CCN(CC)C(=O)[C@H](c1ccccc1)[NH+]1CCC(C[NH2+]C)CC1 ZINC000430926187 296812476 /nfs/dbraw/zinc/81/24/76/296812476.db2.gz FWYVYMCZPUPDMQ-SFHVURJKSA-N 2 0 317.477 2.528 20 0 DFADRP C[NH2+]CC1CC[NH+]([C@H](C)C(=O)Nc2cccc(SC)c2)CC1 ZINC000430931909 296813253 /nfs/dbraw/zinc/81/32/53/296813253.db2.gz XQBCHLWZTCBWSN-CYBMUJFWSA-N 2 0 321.490 2.667 20 0 DFADRP C[NH2+]CC1CC[NH+](Cc2ncc(-c3ccccc3F)o2)CC1 ZINC000430936258 296813461 /nfs/dbraw/zinc/81/34/61/296813461.db2.gz YCQWTFCWGYUJFT-UHFFFAOYSA-N 2 0 303.381 2.912 20 0 DFADRP Cc1ccc(NC(=O)[C@H](C)[NH+]2CCC([C@@H](C)[NH3+])CC2)cc1C ZINC000430940256 296813846 /nfs/dbraw/zinc/81/38/46/296813846.db2.gz JOMTWWMTQDHBAF-CABCVRRESA-N 2 0 303.450 2.690 20 0 DFADRP Cc1cccc(C)c1NC(=O)[C@H](C)[NH+]1CCC([C@@H](C)[NH3+])CC1 ZINC000430951296 296814562 /nfs/dbraw/zinc/81/45/62/296814562.db2.gz LDKVTTBCHBBKCC-CABCVRRESA-N 2 0 303.450 2.690 20 0 DFADRP COCCCOc1cccc(C[NH+]2CCC3(CC[NH2+]C3)CC2)c1 ZINC000430950463 296814592 /nfs/dbraw/zinc/81/45/92/296814592.db2.gz HYNRUXFVKLXAQB-UHFFFAOYSA-N 2 0 318.461 2.677 20 0 DFADRP Cc1nn(-c2ccccc2)cc1C[NH+]1CCC2(CC[NH2+]C2)CC1 ZINC000430958546 296815182 /nfs/dbraw/zinc/81/51/82/296815182.db2.gz SQVQPTSQBMSGEQ-UHFFFAOYSA-N 2 0 310.445 2.756 20 0 DFADRP Cc1ccc(NC(=O)[C@@H](C)[NH+]2CCC3(CC[NH2+]C3)CC2)c(C)c1 ZINC000431037256 296818929 /nfs/dbraw/zinc/81/89/29/296818929.db2.gz JAGHGUSGZYGKJA-MRXNPFEDSA-N 2 0 315.461 2.706 20 0 DFADRP C[C@@H]([NH2+]C[C@H](C)N1CC[NH+](C)CC1)c1nccc2ccccc21 ZINC000289792854 287035621 /nfs/dbraw/zinc/03/56/21/287035621.db2.gz OLVQINZJNYMLCU-JKSUJKDBSA-N 2 0 312.461 2.521 20 0 DFADRP C[N@@H+]1CCN(CC[NH2+]Cc2cnc(C(C)(C)C)s2)CC1(C)C ZINC000441363747 297180829 /nfs/dbraw/zinc/18/08/29/297180829.db2.gz XGMQIEMXOJOZCK-UHFFFAOYSA-N 2 0 324.538 2.556 20 0 DFADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@@H](C)Oc2ccc(OC)cc2)[C@H](C)C1 ZINC000129005959 196011752 /nfs/dbraw/zinc/01/17/52/196011752.db2.gz GUVLYRJWRXDJIL-RKVPGOIHSA-N 2 0 306.450 2.782 20 0 DFADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@@H](C)Oc2ccccc2OC)[C@H](C)C1 ZINC000129569485 196058383 /nfs/dbraw/zinc/05/83/83/196058383.db2.gz LPHKUJVRBUQDGI-OAGGEKHMSA-N 2 0 306.450 2.782 20 0 DFADRP CCN(C)C(=O)CC[NH+]1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000130704087 196102742 /nfs/dbraw/zinc/10/27/42/196102742.db2.gz LAUYFIKMBZYCFS-QGZVFWFLSA-N 2 0 323.525 2.831 20 0 DFADRP C[C@H](C[NH2+][C@H]1CC[C@H](c2ccccc2)C1)N1CC[NH+](C)CC1 ZINC000131229142 196152680 /nfs/dbraw/zinc/15/26/80/196152680.db2.gz PNXQLCSZYCJZTA-NEWSRXKRSA-N 2 0 301.478 2.548 20 0 DFADRP CC(C)[C@H](C[NH2+][C@@H](C)c1cccc(F)c1)N1CC[NH+](C)CC1 ZINC000132342172 196247298 /nfs/dbraw/zinc/24/72/98/196247298.db2.gz NGJBSTCOZRVQPP-YJBOKZPZSA-N 2 0 307.457 2.748 20 0 DFADRP CC(C)[C@@H](C[NH2+][C@H](C)c1ccccc1F)N1CC[NH+](C)CC1 ZINC000132321865 196245085 /nfs/dbraw/zinc/24/50/85/196245085.db2.gz QFBNIOUWLVMMDR-CRAIPNDOSA-N 2 0 307.457 2.748 20 0 DFADRP Cc1ccccc1[C@H](C)[NH2+]C[C@@H](C(C)C)N1CC[NH+](C)CC1 ZINC000132318030 196245745 /nfs/dbraw/zinc/24/57/45/196245745.db2.gz FBKIWNXUJDYHQR-HKUYNNGSSA-N 2 0 303.494 2.918 20 0 DFADRP CC[NH+](CC)[C@@H](CN[C@H]1CC[N@H+](C)C[C@@H]1C)c1ccccc1 ZINC000134021538 196354047 /nfs/dbraw/zinc/35/40/47/196354047.db2.gz ZSASUATUWNNQSX-WDSOQIARSA-N 2 0 303.494 2.999 20 0 DFADRP Fc1ccc(/C=C/C[NH+]2CCC(C[NH+]3CCOCC3)CC2)cc1 ZINC000134112845 196362724 /nfs/dbraw/zinc/36/27/24/196362724.db2.gz RGJNITNJYDXZOQ-OWOJBTEDSA-N 2 0 318.436 2.883 20 0 DFADRP C[NH+](C)Cc1ccsc1C(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000442181579 297192593 /nfs/dbraw/zinc/19/25/93/297192593.db2.gz MPGOTUIDKCHEPM-UHFFFAOYSA-N 2 0 323.506 2.660 20 0 DFADRP CC[C@@H]1[NH2+]CC[C@H]1C(=O)NC[C@H](c1ccccc1)[NH+](CC)CC ZINC000289798000 287321449 /nfs/dbraw/zinc/32/14/49/287321449.db2.gz YYXGQAPDGFNPOZ-FGTMMUONSA-N 2 0 317.477 2.574 20 0 DFADRP Cc1ccc2cc(CN3CCC([N@H+](C)CCCO)CC3)[nH]c2c1 ZINC000667637531 543646527 /nfs/dbraw/zinc/64/65/27/543646527.db2.gz WOWIUXAYNXEOGX-UHFFFAOYSA-N 2 0 315.461 2.755 20 0 DFADRP CCCC[N@H+](C)CC1CC[NH+](Cc2cnc3n2CCC3)CC1 ZINC000667500979 543619398 /nfs/dbraw/zinc/61/93/98/543619398.db2.gz HZUKEBVAYXERFU-UHFFFAOYSA-N 2 0 304.482 2.773 20 0 DFADRP c1ccc(CC[N@@H+]2CC[C@H](C[NH2+][C@@H]3CO[C@@H](C4CC4)C3)C2)cc1 ZINC000667835059 543688901 /nfs/dbraw/zinc/68/89/01/543688901.db2.gz HKRMOLYWKIMIKW-YZGWKJHDSA-N 2 0 314.473 2.708 20 0 DFADRP Cc1cc(N2CCC[C@@H]([NH2+][C@H]3CCC[C@@H]4C[C@@H]43)C2)nc(C)n1 ZINC000667839756 543689809 /nfs/dbraw/zinc/68/98/09/543689809.db2.gz BMJXSZSRJRXBBS-NCOADZHNSA-N 2 0 300.450 2.840 20 0 DFADRP CO[C@]1(C)C[C@H]([N@H+](C)Cc2ccnn2-c2cc[nH+]cc2)C1(C)C ZINC000667690748 543660677 /nfs/dbraw/zinc/66/06/77/543660677.db2.gz HKJHURIDQJXBAF-FUHWJXTLSA-N 2 0 314.433 2.903 20 0 DFADRP [NH3+]Cc1cccc(NC(=O)N2CCC[N@@H+](C3CCCC3)CC2)c1 ZINC000667728152 543667950 /nfs/dbraw/zinc/66/79/50/543667950.db2.gz NUWVUASBRAKJCE-UHFFFAOYSA-N 2 0 316.449 2.628 20 0 DFADRP CC[NH2+]Cc1cccc(NC(=O)N2CCC[C@H]([NH2+]C(C)C)C2)c1 ZINC000667768037 543675513 /nfs/dbraw/zinc/67/55/13/543675513.db2.gz CQWGMRMJAQZRKZ-KRWDZBQOSA-N 2 0 318.465 2.790 20 0 DFADRP CC[NH2+]Cc1ccccc1NC(=O)N[C@H](C)C1CC[NH+](C)CC1 ZINC000667779168 543676939 /nfs/dbraw/zinc/67/69/39/543676939.db2.gz DMPCAKTWTYRAHN-CQSZACIVSA-N 2 0 318.465 2.648 20 0 DFADRP Cc1ncc(CN2CCN(c3ccccc3F)C[C@H]2C)n1C ZINC000668048188 543729652 /nfs/dbraw/zinc/72/96/52/543729652.db2.gz YIOBTVZVGXXLLH-CYBMUJFWSA-N 2 0 302.397 2.578 20 0 DFADRP COCc1csc(C[N@H+](C)C[C@@H]2CCn3ccnc3C2)c1 ZINC000668170058 543757758 /nfs/dbraw/zinc/75/77/58/543757758.db2.gz BYSVFDQHAGOCHY-CYBMUJFWSA-N 2 0 305.447 2.785 20 0 DFADRP CCCn1ccnc1CCC[N@H+](C)Cc1cnn2c1CCC2 ZINC000668169735 543757774 /nfs/dbraw/zinc/75/77/74/543757774.db2.gz YPBCMOQRTOPPPC-UHFFFAOYSA-N 2 0 301.438 2.500 20 0 DFADRP CO[C@H]1C[C@H]([N@H+](C)Cc2ccnn2-c2cc[nH+]cc2)C12CCC2 ZINC000668225025 543771553 /nfs/dbraw/zinc/77/15/53/543771553.db2.gz CFZRGSCTYUZRLS-IRXDYDNUSA-N 2 0 312.417 2.657 20 0 DFADRP O[C@H]1CC[N@H+](Cc2ccc(C[NH2+]C3CC4(CCC4)C3)cc2)C1 ZINC000668490461 543814173 /nfs/dbraw/zinc/81/41/73/543814173.db2.gz WMCALOZCGPVJKA-SFHVURJKSA-N 2 0 300.446 2.676 20 0 DFADRP CC[C@@H](COCC1CC1)[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000668458998 543808962 /nfs/dbraw/zinc/80/89/62/543808962.db2.gz OBZQFOGGJOSICJ-INIZCTEOSA-N 2 0 303.450 2.845 20 0 DFADRP C[C@H]1CCCC[N@@H+]1Cc1ccc(NC(=O)C2([NH3+])CCC2)cc1 ZINC000296169089 225614725 /nfs/dbraw/zinc/61/47/25/225614725.db2.gz XCHWXPLTLIILAL-AWEZNQCLSA-N 2 0 301.434 2.881 20 0 DFADRP C[C@@H](C[N@@H+]1CCO[C@@H](CCC[NH+](C)C)C1)c1ccc(F)cc1 ZINC000668785268 543866910 /nfs/dbraw/zinc/86/69/10/543866910.db2.gz OZGISHTVGQRCAC-YJBOKZPZSA-N 2 0 308.441 2.972 20 0 DFADRP C[C@H](CCCO)C[NH2+][C@@H](C)c1cccc(OCC[NH+](C)C)c1 ZINC000296589195 226023521 /nfs/dbraw/zinc/02/35/21/226023521.db2.gz UWGOHVGTNDQFDR-CVEARBPZSA-N 2 0 308.466 2.686 20 0 DFADRP C[C@@H]1CCc2ccccc2[C@@H]1[NH2+]CCN1CC[N@H+](C)C(C)(C)C1 ZINC000669618795 543976076 /nfs/dbraw/zinc/97/60/76/543976076.db2.gz PMTDOSAQLWKOJF-VQIMIIECSA-N 2 0 315.505 2.926 20 0 DFADRP [NH3+]CC1(CC(=O)N2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)CCCCC1 ZINC000669519614 543959596 /nfs/dbraw/zinc/95/95/96/543959596.db2.gz KOLRRUXKWLOPLZ-IRXDYDNUSA-N 2 0 321.509 2.524 20 0 DFADRP C[C@@H](C[NH2+]Cc1cccnc1N1CC[NH+](C)CC1)C(C)(C)C ZINC000670267253 544031227 /nfs/dbraw/zinc/03/12/27/544031227.db2.gz XLDIBNHXJHYBES-HNNXBMFYSA-N 2 0 304.482 2.605 20 0 DFADRP C[C@@H](C[NH2+][C@@H](C)c1ccc2[nH]c(=O)oc2c1)C[NH+]1CCCC1 ZINC000671741793 544105513 /nfs/dbraw/zinc/10/55/13/544105513.db2.gz DSVMHSZTMKORRK-STQMWFEESA-N 2 0 303.406 2.916 20 0 DFADRP CN(CC[N@H+](C)[C@@H]1C[C@H]1c1ccccc1)C1CC[NH+](C)CC1 ZINC000291103451 222139326 /nfs/dbraw/zinc/13/93/26/222139326.db2.gz JPLQNVSGBBOWPD-RBUKOAKNSA-N 2 0 301.478 2.500 20 0 DFADRP CC[NH+](CC)Cc1ccc(C(=O)N[C@@H]2C[N@@H+](C(C)C)C[C@H]2C)o1 ZINC000674965099 544280119 /nfs/dbraw/zinc/28/01/19/544280119.db2.gz MCTTYPBYHZHDOC-GDBMZVCRSA-N 2 0 321.465 2.580 20 0 DFADRP CCCC[N@H+](CC)Cc1cccc(CNC(=O)[C@H](C)[NH+](C)C)c1 ZINC000675481151 544315376 /nfs/dbraw/zinc/31/53/76/544315376.db2.gz SELZXVSVGBEREO-INIZCTEOSA-N 2 0 319.493 2.875 20 0 DFADRP CC[N@@H+]1CC[C@@H]([NH2+]CCN2CCCc3ccccc32)[C@@H](C)C1 ZINC000675783278 544336279 /nfs/dbraw/zinc/33/62/79/544336279.db2.gz FPQXJAIKCJIYSW-FUHWJXTLSA-N 2 0 301.478 2.759 20 0 DFADRP Cc1c(F)cccc1NC(=O)CC[NH+]1CCC(C[NH+](C)C)CC1 ZINC000434588015 296942658 /nfs/dbraw/zinc/94/26/58/296942658.db2.gz UCPNGABHZWKBHT-UHFFFAOYSA-N 2 0 321.440 2.736 20 0 DFADRP C[C@H]1Cc2ccccc2[C@H]1[NH2+]CC(C)(C)N1CC[NH+](C)CC1 ZINC000675742382 544333062 /nfs/dbraw/zinc/33/30/62/544333062.db2.gz NYBGJZSMEXMOKA-YJBOKZPZSA-N 2 0 301.478 2.536 20 0 DFADRP COc1cccc(CC[NH2+][C@@H](C)C2CC[NH+](C)CC2)c1OC ZINC000675753827 544334002 /nfs/dbraw/zinc/33/40/02/544334002.db2.gz DFOMVIFFCURVSO-AWEZNQCLSA-N 2 0 306.450 2.566 20 0 DFADRP COc1ccccc1OCCC[NH2+][C@H](C)C1CC[NH+](C)CC1 ZINC000675813078 544338518 /nfs/dbraw/zinc/33/85/18/544338518.db2.gz DVNNZWRYNOGXRY-OAHLLOKOSA-N 2 0 306.450 2.784 20 0 DFADRP COc1ccc2[nH]cc(CC[NH2+][C@H]3CC[N@H+](C)[C@H](C)C3)c2c1 ZINC000675878326 544341193 /nfs/dbraw/zinc/34/11/93/544341193.db2.gz SCZCGVQQNSBYMR-HIFRSBDPSA-N 2 0 301.434 2.791 20 0 DFADRP COc1ccc2[nH]cc(CC[NH2+][C@H]3CC[N@H+](C)[C@@H](C)C3)c2c1 ZINC000675878329 544341260 /nfs/dbraw/zinc/34/12/60/544341260.db2.gz SCZCGVQQNSBYMR-ZFWWWQNUSA-N 2 0 301.434 2.791 20 0 DFADRP COc1ccc(COCC[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)cc1 ZINC000675897699 544342897 /nfs/dbraw/zinc/34/28/97/544342897.db2.gz RQJKSTXUSYOULQ-HKUYNNGSSA-N 2 0 318.461 2.628 20 0 DFADRP C[C@H]([NH2+][C@@H]1CCN(C2CC[NH+](C)CC2)C1)C1C(C)(C)C1(C)C ZINC000676560262 544385865 /nfs/dbraw/zinc/38/58/65/544385865.db2.gz KYOCIHJYJAEURP-LSDHHAIUSA-N 2 0 307.526 2.815 20 0 DFADRP CC1CC[NH+](C2CCC([NH2+]Cc3ccc(CO)o3)CC2)CC1 ZINC000676906715 544414011 /nfs/dbraw/zinc/41/40/11/544414011.db2.gz KJGVPRHUXVBALQ-UHFFFAOYSA-N 2 0 306.450 2.905 20 0 DFADRP Cc1ccc2c(c1)[C@@H]([NH2+]CC(C)(C)N1CC[NH+](C)CC1)CCC2 ZINC000677235665 544456525 /nfs/dbraw/zinc/45/65/25/544456525.db2.gz GZZCZZOYQPZZKX-IBGZPJMESA-N 2 0 315.505 2.988 20 0 DFADRP C[NH+]1CCN(C(C)(C)C[NH2+][C@H]2CCc3c2cc(F)cc3F)CC1 ZINC000677129490 544438021 /nfs/dbraw/zinc/43/80/21/544438021.db2.gz LPWCDJBYZFXHBV-KRWDZBQOSA-N 2 0 323.431 2.568 20 0 DFADRP COc1ccc2[nH]cc(CC[NH2+][C@@H]3CC[N@@H+]4CCC[C@@H]4C3)c2c1 ZINC000677240793 544457204 /nfs/dbraw/zinc/45/72/04/544457204.db2.gz KXWINPCEGKKETG-HZPDHXFCSA-N 2 0 313.445 2.935 20 0 DFADRP COc1cc(C)nc(C[NH+]2CCC(C[N@H+](C)C(C)C)CC2)c1 ZINC000677440754 544488544 /nfs/dbraw/zinc/48/85/44/544488544.db2.gz YTWHPTJURSSKKF-UHFFFAOYSA-N 2 0 305.466 2.951 20 0 DFADRP CC(C)[NH+]1CCN(C2CC[NH+]([C@H](C)c3ccncc3)CC2)CC1 ZINC000677739009 544535074 /nfs/dbraw/zinc/53/50/74/544535074.db2.gz WYRRYVWVYCIMQW-QGZVFWFLSA-N 2 0 316.493 2.633 20 0 DFADRP C[N@@H+]1CCC[C@H](CN[C@@H]2C[NH+](Cc3ccccc3)C(C)(C)C2)C1 ZINC000677749540 544535823 /nfs/dbraw/zinc/53/58/23/544535823.db2.gz MKQQWBVSTOPETB-MOPGFXCFSA-N 2 0 315.505 2.971 20 0 DFADRP CC[NH+](CC)CCN[C@H]1C[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC000677805778 544543657 /nfs/dbraw/zinc/54/36/57/544543657.db2.gz POIIPZZGVLBPTP-GOSISDBHSA-N 2 0 303.494 2.971 20 0 DFADRP COCCC[NH+](C)Cc1ccccc1C[N@@H+](C)CCCOC ZINC000299253358 229008211 /nfs/dbraw/zinc/00/82/11/229008211.db2.gz COBFTEFUBMTMTP-UHFFFAOYSA-N 2 0 308.466 2.623 20 0 DFADRP C[N@@H+]1CCC[C@@H]2C[NH+](C[C@@H]3CCOc4ccccc43)CC[C@@H]21 ZINC000678340894 544654768 /nfs/dbraw/zinc/65/47/68/544654768.db2.gz SDHFYAYQJXKSGW-JZXOWHBKSA-N 2 0 300.446 2.969 20 0 DFADRP C[NH+](C)CCOc1ccc(C[N@H+](C)CCC2CCOCC2)cc1 ZINC000678272867 544639814 /nfs/dbraw/zinc/63/98/14/544639814.db2.gz CWXYCEPHDHYQMO-UHFFFAOYSA-N 2 0 320.477 2.876 20 0 DFADRP CO[C@@H]1CCC[C@H]1C[NH2+]Cc1ccc(OCC[NH+](C)C)cc1 ZINC000678733788 544713918 /nfs/dbraw/zinc/71/39/18/544713918.db2.gz QNSXPOYRQPIXRI-FUHWJXTLSA-N 2 0 306.450 2.532 20 0 DFADRP CCC[NH+]1CCC([NH2+]CCOCc2ccc(OC)cc2)CC1 ZINC000678769939 544718302 /nfs/dbraw/zinc/71/83/02/544718302.db2.gz FLQCWAVTZXJAEV-UHFFFAOYSA-N 2 0 306.450 2.676 20 0 DFADRP COCC1([NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)CC1 ZINC000679074669 544780166 /nfs/dbraw/zinc/78/01/66/544780166.db2.gz WIQFXGWDHOFNFC-AYHJJNSGSA-N 2 0 300.446 2.951 20 0 DFADRP CCN1C[C@H](C)[C@H]([NH2+][C@@H](C)c2cccc(OCC[NH+](C)C)c2)C1 ZINC000679074968 544780190 /nfs/dbraw/zinc/78/01/90/544780190.db2.gz FVYJFJJNGFSMLA-TXPKVOOTSA-N 2 0 319.493 2.618 20 0 DFADRP CC1(C)[C@H](O)C[C@@H]1[NH2+]Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000679375400 544844400 /nfs/dbraw/zinc/84/44/00/544844400.db2.gz ZOOILHVOWDOXPF-ZWKOTPCHSA-N 2 0 302.462 2.922 20 0 DFADRP C[C@H]([NH2+]CCc1ccc(F)c(F)c1F)C1CC[NH+](C)CC1 ZINC000680353045 544996425 /nfs/dbraw/zinc/99/64/25/544996425.db2.gz YUVBRTQRHAQYQH-NSHDSACASA-N 2 0 300.368 2.966 20 0 DFADRP CC[NH+](CC)[C@@H](CNC(=O)C[N@H+](C)C(C)C)c1ccsc1 ZINC000067574629 425911397 /nfs/dbraw/zinc/91/13/97/425911397.db2.gz XZCZYHYDAXLNTI-HNNXBMFYSA-N 2 0 311.495 2.587 20 0 DFADRP CC[NH+]1CCN([C@H](C)C[NH2+][C@@H](C)c2ccc(OC)c(F)c2)CC1 ZINC000155612525 425923380 /nfs/dbraw/zinc/92/33/80/425923380.db2.gz NHJOKAKHKZDMOP-CABCVRRESA-N 2 0 323.456 2.511 20 0 DFADRP CCOc1ccccc1[C@H](C)[NH2+]C[C@@H](C)N1CC[NH+](CC)CC1 ZINC000155718238 425924890 /nfs/dbraw/zinc/92/48/90/425924890.db2.gz RYXOCTLRWPDWKD-SJORKVTESA-N 2 0 319.493 2.762 20 0 DFADRP CC[C@@H](COC)[NH2+]Cc1ccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000124648244 425931365 /nfs/dbraw/zinc/93/13/65/425931365.db2.gz LLCQEDOUWBBZPP-FCEWJHQRSA-N 2 0 320.477 2.810 20 0 DFADRP CC[C@@H](C(=O)NC[C@@H](c1ccccc1)[NH+](CC)CC)[NH+](C)C ZINC000124672934 425932574 /nfs/dbraw/zinc/93/25/74/425932574.db2.gz RYSQQWZDVDBHSP-IRXDYDNUSA-N 2 0 305.466 2.526 20 0 DFADRP CC(C)[N@@H+]1CCC[C@@H](CNC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC000156008097 425932622 /nfs/dbraw/zinc/93/26/22/425932622.db2.gz HJJNSZFDCCTFNA-KRWDZBQOSA-N 2 0 317.477 2.598 20 0 DFADRP Cc1cc(NCC2CC[NH+](CCO)CC2)c2cc(F)ccc2[nH+]1 ZINC000124731656 425935554 /nfs/dbraw/zinc/93/55/54/425935554.db2.gz JYMOCAGQOZIEFE-UHFFFAOYSA-N 2 0 317.408 2.799 20 0 DFADRP Cc1ccc(C)c2c1CCC[C@H]2[NH2+]CC1CC[NH+](CCO)CC1 ZINC000179423973 267697241 /nfs/dbraw/zinc/69/72/41/267697241.db2.gz LHTDFMAERLNDTA-LJQANCHMSA-N 2 0 316.489 2.975 20 0 DFADRP OCC[NH+]1CCC(C[NH2+]CC2CCC(C(F)(F)F)CC2)CC1 ZINC000183702754 267757883 /nfs/dbraw/zinc/75/78/83/267757883.db2.gz WGCGJLKAMFDDHL-UHFFFAOYSA-N 2 0 322.415 2.649 20 0 DFADRP C[NH+]1CCN(CCC(C)(C)[NH2+]C/C=C/c2ccccc2)CC1 ZINC000185892820 267804394 /nfs/dbraw/zinc/80/43/94/267804394.db2.gz JGQISMIKTNHJMQ-JXMROGBWSA-N 2 0 301.478 2.706 20 0 DFADRP CC[NH+](CC)Cc1ccc(C(=O)N(C)C2CC[NH+](CC)CC2)o1 ZINC000045906959 425863108 /nfs/dbraw/zinc/86/31/08/425863108.db2.gz XVZSHLVJQVOPOZ-UHFFFAOYSA-N 2 0 321.465 2.678 20 0 DFADRP CC[NH+](CC)Cc1ccc(C(=O)NC[C@@H](C)[NH+](CC)CC)o1 ZINC000042481373 425853721 /nfs/dbraw/zinc/85/37/21/425853721.db2.gz JKALCZSZNUTELN-CQSZACIVSA-N 2 0 309.454 2.582 20 0 DFADRP CC[NH+](CC)CCC[N@H+](C[C@H]1CCCO1)[C@@H]1CCSC1 ZINC000191817406 268015138 /nfs/dbraw/zinc/01/51/38/268015138.db2.gz UUCLUUFYVSHAHB-HZPDHXFCSA-N 2 0 300.512 2.705 20 0 DFADRP CC(C)[NH+]1CCN(CCC[N@H+](C)C[C@H](C)c2nccs2)CC1 ZINC000192795094 268049984 /nfs/dbraw/zinc/04/99/84/268049984.db2.gz OJARYLRJJKSYIC-INIZCTEOSA-N 2 0 324.538 2.595 20 0 DFADRP C[C@@H]1CC(C)(C)C[C@@H]1[NH2+]Cc1ccnc(OCC[NH+](C)C)c1 ZINC000193144934 268060250 /nfs/dbraw/zinc/06/02/50/268060250.db2.gz IVGMUVXZTGDSNF-ZBFHGGJFSA-N 2 0 305.466 2.936 20 0 DFADRP Cc1cc(CN2C[C@@H]3C[N@H+](C)C[C@@H]3C2)ccc1Br ZINC000194543504 268106666 /nfs/dbraw/zinc/10/66/66/268106666.db2.gz CLNOKDSSTJLGPH-OKILXGFUSA-N 2 0 309.251 2.751 20 0 DFADRP COc1ccc(C[NH2+]CC[C@@H]2CC[NH2+]C2)cc1Br ZINC000259056153 268168421 /nfs/dbraw/zinc/16/84/21/268168421.db2.gz QSHVRLUEGTZAEW-NSHDSACASA-N 2 0 313.239 2.547 20 0 DFADRP Cc1cc(C)c(NC(=O)[C@H](C)[NH+]2CCC(C[NH3+])CC2)c(C)c1 ZINC000260405726 268168572 /nfs/dbraw/zinc/16/85/72/268168572.db2.gz FUQOVHBGRSYRKZ-HNNXBMFYSA-N 2 0 303.450 2.610 20 0 DFADRP CC(C)[NH+]1CCN(C2CC[NH+]([C@H](C)c3ccccn3)CC2)CC1 ZINC000270859401 268227097 /nfs/dbraw/zinc/22/70/97/268227097.db2.gz HYHYJQHWYZWNLU-QGZVFWFLSA-N 2 0 316.493 2.633 20 0 DFADRP CC(C)[NH+]1CCN(C2CC[NH+]([C@@H](C)c3ccccn3)CC2)CC1 ZINC000270859400 268227146 /nfs/dbraw/zinc/22/71/46/268227146.db2.gz HYHYJQHWYZWNLU-KRWDZBQOSA-N 2 0 316.493 2.633 20 0 DFADRP CC(C)[N@H+](C)CCC[NH2+][C@@H](C)c1cccc(-n2ccnn2)c1 ZINC000287269727 268276552 /nfs/dbraw/zinc/27/65/52/268276552.db2.gz AVUJACOKHRACAW-HNNXBMFYSA-N 2 0 301.438 2.648 20 0 DFADRP CC(C)CNC(=O)[C@H](C)[NH+]1CCC(C[NH+]2CCCCCC2)CC1 ZINC000048564411 425875967 /nfs/dbraw/zinc/87/59/67/425875967.db2.gz FZSLEEXODYVROW-KRWDZBQOSA-N 2 0 323.525 2.735 20 0 DFADRP CC(C)(C)[C@H](O)C[N@@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000310029096 268337104 /nfs/dbraw/zinc/33/71/04/268337104.db2.gz WUDQFZIGCKOWPM-GBESFXJTSA-N 2 0 316.489 2.847 20 0 DFADRP Brc1ccc(C[N@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)cc1 ZINC000311206743 268337293 /nfs/dbraw/zinc/33/72/93/268337293.db2.gz JPNKHAYBWSDKBL-OKILXGFUSA-N 2 0 309.251 2.881 20 0 DFADRP C[C@H]1C[N@H+](C)CC[C@@H]1[NH2+]CCc1cccc(Br)c1 ZINC000313696324 268340162 /nfs/dbraw/zinc/34/01/62/268340162.db2.gz IJWCNTCQSSYWKH-WFASDCNBSA-N 2 0 311.267 2.921 20 0 DFADRP CCOC(=O)N1CCC([NH2+][C@@H](C)C[C@@H]2CCCCC[NH2+]2)CC1 ZINC000316478623 268344688 /nfs/dbraw/zinc/34/46/88/268344688.db2.gz ZARPMXUVIYIQJQ-HOCLYGCPSA-N 2 0 311.470 2.508 20 0 DFADRP CCCC1CCC([NH2+][C@@H]2CCC(=O)N[C@H]2C2CC[NH2+]CC2)CC1 ZINC000333126002 268376085 /nfs/dbraw/zinc/37/60/85/268376085.db2.gz IXRCMNMQUUNMBC-SYARIVLMSA-N 2 0 321.509 2.582 20 0 DFADRP CCc1noc(C2CCC([NH2+][C@@H]3CCCC[C@H]3C[NH3+])CC2)n1 ZINC000333145259 268378099 /nfs/dbraw/zinc/37/80/99/268378099.db2.gz LRJLYJHDIDQQFX-OOJKYFRXSA-N 2 0 306.454 2.765 20 0 DFADRP C[N@@H+]1CCC[C@@H]1CCN1CCC[NH+](Cc2ccc(F)cc2)CC1 ZINC000124801779 425938663 /nfs/dbraw/zinc/93/86/63/425938663.db2.gz FCGIZVRZIJTKET-LJQANCHMSA-N 2 0 319.468 2.818 20 0 DFADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)c1ccc(C(C)(C)C)cc1 ZINC000103210895 425938826 /nfs/dbraw/zinc/93/88/26/425938826.db2.gz SMBPEQBXOSCWPB-UHFFFAOYSA-N 2 0 319.493 2.550 20 0 DFADRP COCc1ccc(C[NH2+]Cc2cccc(OCC[NH+](C)C)c2)o1 ZINC000125641817 425983681 /nfs/dbraw/zinc/98/36/81/425983681.db2.gz GXJPREDCIHFPBH-UHFFFAOYSA-N 2 0 318.417 2.656 20 0 DFADRP CC[NH+]1CCN([C@@H]2CC[N@@H+]([C@@H](C)c3ccccc3F)C2)CC1 ZINC000107369839 425989324 /nfs/dbraw/zinc/98/93/24/425989324.db2.gz YQEPQWDLGJFESP-JKSUJKDBSA-N 2 0 305.441 2.599 20 0 DFADRP CC1CC[NH+](CCCC[NH2+][C@H]2CCCc3c2cnn3C)CC1 ZINC000158206711 425941063 /nfs/dbraw/zinc/94/10/63/425941063.db2.gz QRZCMGQWPQAXHP-KRWDZBQOSA-N 2 0 304.482 2.899 20 0 DFADRP C[C@H]1CCC[C@H](C)C1[NH2+]Cc1cccnc1N1CC[NH+](C)CC1 ZINC000158497541 425943615 /nfs/dbraw/zinc/94/36/15/425943615.db2.gz WWFQLTGRMMKEFO-HOTGVXAUSA-N 2 0 316.493 2.748 20 0 DFADRP C[C@@H]([NH2+]Cc1cccnc1N1CC[NH+](C)CC1)C1CCCC1 ZINC000158524580 425943688 /nfs/dbraw/zinc/94/36/88/425943688.db2.gz ROFNFISGDKDOEE-OAHLLOKOSA-N 2 0 302.466 2.502 20 0 DFADRP COc1cccc(O[C@H](C)C[NH2+][C@@H]2C[C@H](C)[N@H+](C)C[C@H]2C)c1 ZINC000125095939 425953527 /nfs/dbraw/zinc/95/35/27/425953527.db2.gz QSQMYZLTHZCUTA-BASYENTBSA-N 2 0 306.450 2.781 20 0 DFADRP [NH3+]CC[C@H]1CCCC[N@@H+]1CCC(=O)Nc1ccccc1Cl ZINC000070149707 425968807 /nfs/dbraw/zinc/96/88/07/425968807.db2.gz IDLWCLNHZQLDQP-CYBMUJFWSA-N 2 0 309.841 2.872 20 0 DFADRP Cc1ccc(Cl)cc1NC(=O)C[N@@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000070170747 425969094 /nfs/dbraw/zinc/96/90/94/425969094.db2.gz CRQVMGDHCXNGBE-ZDUSSCGKSA-N 2 0 309.841 2.648 20 0 DFADRP Cc1cc(Cl)ccc1NC(=O)C[N@@H+]1CCC[C@H](CC[NH3+])C1 ZINC000070171184 425969183 /nfs/dbraw/zinc/96/91/83/425969183.db2.gz BKUVESKBQVTVND-CYBMUJFWSA-N 2 0 309.841 2.648 20 0 DFADRP C[C@@H]([NH2+]CCC1CC[NH+](C)CC1)c1ccc([S@@](C)=O)cc1 ZINC000125403702 425969689 /nfs/dbraw/zinc/96/96/89/425969689.db2.gz NCNMSBJTUAOUNJ-SZNDQCEHSA-N 2 0 308.491 2.807 20 0 DFADRP CC(C)[NH+]1CCC(C(=O)NCC(C)(C)[N@@H+]2CCC[C@H](C)C2)CC1 ZINC000073035854 426022987 /nfs/dbraw/zinc/02/29/87/426022987.db2.gz QCWHHNHOLMPYEJ-INIZCTEOSA-N 2 0 323.525 2.734 20 0 DFADRP C[NH+]1CCC(C[NH2+][C@@H]2CCC23CCC3)(N2CCCCC2)CC1 ZINC000337392385 268486047 /nfs/dbraw/zinc/48/60/47/268486047.db2.gz AZYGHYGYACWWGF-QGZVFWFLSA-N 2 0 305.510 2.859 20 0 DFADRP CC(C)[NH+]1CCC(C(=O)N2CCC[C@H]2C[NH+]2CCCCC2)CC1 ZINC000073327411 426024991 /nfs/dbraw/zinc/02/49/91/426024991.db2.gz IPWXLIXTXKZLFK-SFHVURJKSA-N 2 0 321.509 2.584 20 0 DFADRP CCCC[N@H+](C)CCNC(=O)[C@@H](c1ccccc1)[NH+](C)CC ZINC000112310171 426071526 /nfs/dbraw/zinc/07/15/26/426071526.db2.gz HCACWKBXNCPYQF-QGZVFWFLSA-N 2 0 305.466 2.528 20 0 DFADRP CC[C@H]([NH2+]Cc1ccc(CN2CC[NH+](C)CC2)cc1)C(C)C ZINC000126715826 426033501 /nfs/dbraw/zinc/03/35/01/426033501.db2.gz QEQLRZHMNUMXCL-IBGZPJMESA-N 2 0 303.494 2.958 20 0 DFADRP CC(C)[C@@H]([NH2+]Cc1ccc(CN2CC[NH+](C)CC2)cc1)C1CC1 ZINC000126743284 426034969 /nfs/dbraw/zinc/03/49/69/426034969.db2.gz BLVWDROCYYUZGL-HXUWFJFHSA-N 2 0 315.505 2.958 20 0 DFADRP CCC[NH+]1CCC([N@H+](C)CCC(=O)Nc2cccc(F)c2)CC1 ZINC000111240573 426041419 /nfs/dbraw/zinc/04/14/19/426041419.db2.gz FKGXIPWSTMNWAV-UHFFFAOYSA-N 2 0 321.440 2.961 20 0 DFADRP C[C@H](c1ccccn1)[NH+]1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000161915404 426044977 /nfs/dbraw/zinc/04/49/77/426044977.db2.gz DXMDOUUFIMJMSJ-QGZVFWFLSA-N 2 0 317.477 2.967 20 0 DFADRP C/C(=C/c1ccccc1)C[NH2+]CCCC[N@@H+]1CCC[C@H]1CO ZINC000111386709 426048929 /nfs/dbraw/zinc/04/89/29/426048929.db2.gz SUBBQBSWMXKIEO-FCUDFIOSSA-N 2 0 302.462 2.916 20 0 DFADRP CC(C)[N@H+](C)CC(=O)Nc1ccccc1CN1CCSCC1 ZINC000127207733 426056708 /nfs/dbraw/zinc/05/67/08/426056708.db2.gz XYJSCEFLSMHBOT-UHFFFAOYSA-N 2 0 321.490 2.514 20 0 DFADRP CC[C@H](C(=O)Nc1cccc2c1C[N@H+](CC(C)C)C2)[NH+](C)C ZINC000162218612 426056999 /nfs/dbraw/zinc/05/69/99/426056999.db2.gz UIGGNAOCAAKFLX-QGZVFWFLSA-N 2 0 303.450 2.937 20 0 DFADRP C[C@@H]([NH2+]CCCN1CC[NH+](C)CC1)C(C)(C)c1ccccc1 ZINC000162488577 426066511 /nfs/dbraw/zinc/06/65/11/426066511.db2.gz TWLVJIUOCINPBZ-QGZVFWFLSA-N 2 0 303.494 2.580 20 0 DFADRP CCn1cc([C@H](C)[NH2+]Cc2cccc(OCC[NH+](C)C)c2)cn1 ZINC000162533091 426068726 /nfs/dbraw/zinc/06/87/26/426068726.db2.gz YEHQDMFZLPBSMW-HNNXBMFYSA-N 2 0 316.449 2.694 20 0 DFADRP C[C@@H]([NH2+]Cc1cccc(OCC[NH+](C)C)c1)c1cncs1 ZINC000162554469 426068876 /nfs/dbraw/zinc/06/88/76/426068876.db2.gz RVZXITKLENETII-CYBMUJFWSA-N 2 0 305.447 2.934 20 0 DFADRP Cc1cc([C@H](C)[NH2+]CCCN2CC[NH+](C)CC2)cc(C)c1F ZINC000162586334 426070016 /nfs/dbraw/zinc/07/00/16/426070016.db2.gz YNENQQJWEWJAFC-INIZCTEOSA-N 2 0 307.457 2.731 20 0 DFADRP C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)[C@@H](C1CC1)[NH+]1CCCC1 ZINC000126176168 426009182 /nfs/dbraw/zinc/00/91/82/426009182.db2.gz QOUOZBUCFVLJKB-SJLPKXTDSA-N 2 0 321.509 2.632 20 0 DFADRP C[N@@H+](CCC(=O)NCC1CCCCC1)CC[C@@H]1CCCC[NH+]1C ZINC000075859934 426087920 /nfs/dbraw/zinc/08/79/20/426087920.db2.gz BBFHKQTUGIBYHC-SFHVURJKSA-N 2 0 323.525 2.879 20 0 DFADRP Cc1ccc(C[C@H]([NH2+]C[C@@H](C)N2CC[NH+](C)CC2)C2CC2)cc1 ZINC000127869252 426089593 /nfs/dbraw/zinc/08/95/93/426089593.db2.gz MPLKYKRHRZERQX-XLIONFOSSA-N 2 0 315.505 2.542 20 0 DFADRP CC[N@@H+]1CC[C@H](C[NH2+][C@@H](C)c2cnn(Cc3ccccc3)c2)C1 ZINC000163289935 426095471 /nfs/dbraw/zinc/09/54/71/426095471.db2.gz TWFUYTAZFZBISV-FUHWJXTLSA-N 2 0 312.461 2.924 20 0 DFADRP CCCC[N@H+](C)CC1CCN(C(=O)[C@@H]2CCCC[NH+]2CC)CC1 ZINC000112918566 426097775 /nfs/dbraw/zinc/09/77/75/426097775.db2.gz VGGZMDJXUHMHKD-SFHVURJKSA-N 2 0 323.525 2.831 20 0 DFADRP C[C@@H]([NH2+]CCC[N@@H+]1CCC[C@H](C(N)=O)C1)c1cccc(Cl)c1 ZINC000128082663 426101344 /nfs/dbraw/zinc/10/13/44/426101344.db2.gz OZHCAHPXFRGHRW-HIFRSBDPSA-N 2 0 323.868 2.578 20 0 DFADRP CCc1nc(C)c([C@@H](C)[NH2+]CCCN2CCC[N@H+](C)CC2)s1 ZINC000128247187 426108580 /nfs/dbraw/zinc/10/85/80/426108580.db2.gz OCAHJRIDYIXHRI-CQSZACIVSA-N 2 0 324.538 2.692 20 0 DFADRP CC(C)N(CC[C@H]1CCC[N@@H+]1C)CC(=O)Nc1ccc(F)cc1 ZINC000128274071 426110363 /nfs/dbraw/zinc/11/03/63/426110363.db2.gz UAQKXNJQXNYTQU-QGZVFWFLSA-N 2 0 321.440 2.959 20 0 DFADRP CC(C)[N@H+](C)Cc1cccc(CNC(=O)[C@@H]([NH3+])C(C)(C)C)c1 ZINC000164356069 426113016 /nfs/dbraw/zinc/11/30/16/426113016.db2.gz PPLITVOEWHRTCT-MRXNPFEDSA-N 2 0 305.466 2.516 20 0 DFADRP C[C@@H]1Cc2ccccc2[C@@H]1[NH2+]CCCN1CCC[N@H+](C)CC1 ZINC000128343609 426113526 /nfs/dbraw/zinc/11/35/26/426113526.db2.gz ZADWXJSPWVYYHW-VQIMIIECSA-N 2 0 301.478 2.537 20 0 DFADRP O=C(Nc1cccc(C[NH+]2CCCCC2)c1)[C@@H]1CCCC[NH2+]1 ZINC000165135451 426120932 /nfs/dbraw/zinc/12/09/32/426120932.db2.gz MYWDNWYQFTVVJL-KRWDZBQOSA-N 2 0 301.434 2.753 20 0 DFADRP CC[N@@H+]1CC[C@@H]([NH2+]CCc2ccc(NC(C)=O)cc2)[C@H](C)C1 ZINC000165612739 426123239 /nfs/dbraw/zinc/12/32/39/426123239.db2.gz SGTNZJZIYKLNJC-RDTXWAMCSA-N 2 0 303.450 2.507 20 0 DFADRP CCO[C@@H](CC[NH+](C)C)C[NH2+][C@@H](C)c1ccc(OC)cc1F ZINC000165941019 426124299 /nfs/dbraw/zinc/12/42/99/426124299.db2.gz QWXZGJSOBNCKMJ-ZFWWWQNUSA-N 2 0 312.429 2.842 20 0 DFADRP Cc1ccc2c(c1)[C@H]([NH2+]C[C@@H](C)CN1CC[NH+](C)CC1)CCC2 ZINC000166492343 426129123 /nfs/dbraw/zinc/12/91/23/426129123.db2.gz FUICLKAIMUCRDI-YLJYHZDGSA-N 2 0 315.505 2.846 20 0 DFADRP CCN1CC[NH+](CCCC[NH2+]C[C@@H](C)c2ccc(F)cc2)CC1 ZINC000127590012 426074779 /nfs/dbraw/zinc/07/47/79/426074779.db2.gz ZWUDUWWEIZETOE-QGZVFWFLSA-N 2 0 321.484 2.937 20 0 DFADRP C[N@@H+]1CCC[C@@H]2C[NH+](CCC(=O)Nc3ccc(F)cc3)CC[C@@H]21 ZINC000162790280 426077510 /nfs/dbraw/zinc/07/75/10/426077510.db2.gz KLTNDJSITCTUPZ-PBHICJAKSA-N 2 0 319.424 2.570 20 0 DFADRP CC(C)[C@@H](CCc1ccccc1)[NH2+]C[C@H](C)N1CC[NH+](C)CC1 ZINC000127707722 426081358 /nfs/dbraw/zinc/08/13/58/426081358.db2.gz ZZFVUMPUMWCPSQ-AZUAARDMSA-N 2 0 317.521 2.869 20 0 DFADRP CC(C)[NH+]1CCC(NC(=O)C[N@@H+]2[C@H](C)C[C@@H]3CCCC[C@@H]32)CC1 ZINC000075837481 426086182 /nfs/dbraw/zinc/08/61/82/426086182.db2.gz UXKYFKVZZXUZCS-RYRKJORJSA-N 2 0 321.509 2.628 20 0 DFADRP C[C@@H]([NH2+]Cc1ccc(N2CC[NH+](C)CC2)nc1)c1ccccc1 ZINC000171644923 426202407 /nfs/dbraw/zinc/20/24/07/426202407.db2.gz XRAWYOUYBSWRGE-MRXNPFEDSA-N 2 0 310.445 2.684 20 0 DFADRP C[C@@H](C(=O)N1CCC[C@H]([NH+]2CCCC2)CC1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000132366643 426168099 /nfs/dbraw/zinc/16/80/99/426168099.db2.gz ZDVVPEJALHRUHY-MHORFTMASA-N 2 0 321.509 2.725 20 0 DFADRP C[C@H](C[NH2+][C@@H](C)c1ccc2c(c1)OCCO2)C[NH+]1CCCC1 ZINC000171141586 426172485 /nfs/dbraw/zinc/17/24/85/426172485.db2.gz SHOFFSCWZBEKDW-CABCVRRESA-N 2 0 304.434 2.840 20 0 DFADRP CC(C)C[N@@H+]1CCC[C@H](CN2CCN(c3ccccn3)CC2)C1 ZINC000133453846 426178232 /nfs/dbraw/zinc/17/82/32/426178232.db2.gz ZKEAHYFPYJTHBQ-GOSISDBHSA-N 2 0 316.493 2.572 20 0 DFADRP CCC[C@H](C(=O)N1CCC[C@@H](C[NH+]2CCCCCC2)C1)[NH+](C)C ZINC000133864226 426183499 /nfs/dbraw/zinc/18/34/99/426183499.db2.gz OWOJNKIPFRDCRE-ZWKOTPCHSA-N 2 0 323.525 2.831 20 0 DFADRP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)[C@@H](C)c2cccc(F)c2)CC1 ZINC000171589165 426197086 /nfs/dbraw/zinc/19/70/86/426197086.db2.gz FMJBQZMTUNBRIB-CABCVRRESA-N 2 0 308.441 2.911 20 0 DFADRP FC(F)(F)COCCC[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000134915862 426199921 /nfs/dbraw/zinc/19/99/21/426199921.db2.gz BISDXHZKNJSAKO-HIFRSBDPSA-N 2 0 320.399 2.904 20 0 DFADRP CN1CCN([C@H]2CCCC[N@H+](C/C=C/c3ccccc3)C2)CC1 ZINC000136067550 426234818 /nfs/dbraw/zinc/23/48/18/426234818.db2.gz KLMSETJHJFVNKR-OSICKASQSA-N 2 0 313.489 2.802 20 0 DFADRP C[NH+](C)CCC[NH2+][C@H]1CCCC[C@@H]1CNC(=O)OC(C)(C)C ZINC000173337879 426239377 /nfs/dbraw/zinc/23/93/77/426239377.db2.gz NRNWFAPWPWHKMQ-CABCVRRESA-N 2 0 313.486 2.611 20 0 DFADRP C[NH+](C)CCC1CC[NH+](CC(=O)N(C2CC2)C2CCCC2)CC1 ZINC000118868019 426249722 /nfs/dbraw/zinc/24/97/22/426249722.db2.gz QOOJICHOYFAAEB-UHFFFAOYSA-N 2 0 321.509 2.584 20 0 DFADRP C[N@H+](CCCN1CC[NH+](C)CC1)[C@H]1CCCc2ccccc21 ZINC000174712560 426263835 /nfs/dbraw/zinc/26/38/35/426263835.db2.gz XRWIUIAQDOSKMO-IBGZPJMESA-N 2 0 301.478 2.633 20 0 DFADRP Cc1cnn(CCCCC[N@@H+]2CC[C@H](C[NH+]3CCCC3)C2)c1 ZINC000150845082 426263862 /nfs/dbraw/zinc/26/38/62/426263862.db2.gz PCDVQRFKVGGSCB-GOSISDBHSA-N 2 0 304.482 2.780 20 0 DFADRP CC[C@H]([NH2+]C1CCN(CC[NH+](C)C)CC1)c1cccc(OC)c1 ZINC000150955628 426269185 /nfs/dbraw/zinc/26/91/85/426269185.db2.gz JNJRJKUJIHALNA-IBGZPJMESA-N 2 0 319.493 2.762 20 0 DFADRP C[NH+]1CCN(CCC[NH2+]C2c3ccccc3-c3ccccc32)CC1 ZINC000174957730 426270601 /nfs/dbraw/zinc/27/06/01/426270601.db2.gz JGYRUXCZFGFWEF-UHFFFAOYSA-N 2 0 321.468 2.984 20 0 DFADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)C[C@H]([NH3+])c2ccccc2)C1 ZINC000119480283 426291134 /nfs/dbraw/zinc/29/11/34/426291134.db2.gz BMLSHGRBQOFJJN-JZXOWHBKSA-N 2 0 317.477 2.561 20 0 DFADRP CC[N@@H+]1CC[C@H]([NH2+][C@@H]2CCN(c3ccc(C)cc3)C2)[C@H](C)C1 ZINC000119677353 426301529 /nfs/dbraw/zinc/30/15/29/426301529.db2.gz PMFCNRKJFFFFID-LMMKCTJWSA-N 2 0 301.478 2.894 20 0 DFADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]CCc1nc2c(cccc2F)n1C ZINC000089674468 426301680 /nfs/dbraw/zinc/30/16/80/426301680.db2.gz ASDIOSLNOCNBNM-UMVBOHGHSA-N 2 0 318.440 2.573 20 0 DFADRP COC(=O)c1cc(CN(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)c(C)s1 ZINC000151663258 426307015 /nfs/dbraw/zinc/30/70/15/426307015.db2.gz PPAQSZYDIKQSAB-BXUZGUMPSA-N 2 0 310.463 2.758 20 0 DFADRP CCc1ccc([C@@H](CC)[NH2+]CC2CC[NH+](CCO)CC2)cc1 ZINC000151834405 426314951 /nfs/dbraw/zinc/31/49/51/426314951.db2.gz JRGJXKOPPPVBHW-LJQANCHMSA-N 2 0 304.478 2.994 20 0 DFADRP CCc1ccc([C@@H](C)[NH2+]C[C@H](C)CN2CC[NH+](CC)CC2)o1 ZINC000121401567 426340238 /nfs/dbraw/zinc/34/02/38/426340238.db2.gz HLQAPAYXDCUCNW-JKSUJKDBSA-N 2 0 307.482 2.766 20 0 DFADRP CN(C)[C@H](C[NH2+][C@H]1[C@@H]2CCO[C@@H]2C12CCC2)Cc1ccccc1 ZINC000120936127 426318396 /nfs/dbraw/zinc/31/83/96/426318396.db2.gz VCIYBVHCFWWHEE-VJANTYMQSA-N 2 0 314.473 2.707 20 0 DFADRP Cc1cccc2c(NC3CCN(CC[NH+](C)C)CC3)cc[nH+]c12 ZINC000121214214 426326046 /nfs/dbraw/zinc/32/60/46/426326046.db2.gz RTDVOHPHPPGKTB-UHFFFAOYSA-N 2 0 312.461 2.981 20 0 DFADRP [NH3+]C[C@H]1CCC[C@H]1[NH2+]Cc1cc(Br)ccc1F ZINC000089150337 426281689 /nfs/dbraw/zinc/28/16/89/426281689.db2.gz RZJIGZXORBPKJZ-NOZJJQNGSA-N 2 0 301.203 2.805 20 0 DFADRP C[C@H](CCNc1ncnc2c1cnn2C)[N@H+](C)Cc1ccccc1 ZINC000175161212 426283466 /nfs/dbraw/zinc/28/34/66/426283466.db2.gz ADGULUSMDPTYBL-CQSZACIVSA-N 2 0 324.432 2.686 20 0 DFADRP C[NH+](C)Cc1cccc(NC(=O)N[C@H]2CCC[C@@H]([NH+](C)C)C2)c1 ZINC000175159264 426283800 /nfs/dbraw/zinc/28/38/00/426283800.db2.gz DGLOUKJZKXPCBF-DLBZAZTESA-N 2 0 318.465 2.743 20 0 DFADRP CCC[C@@H](NC[C@@H](O)C[NH+]1CCCCC1)c1ccc(OC)cc1 ZINC000151259200 426286464 /nfs/dbraw/zinc/28/64/64/426286464.db2.gz XZLYEHCOGBKVMC-IEBWSBKVSA-N 2 0 320.477 2.973 20 0 DFADRP CC[C@H]1CN(CC(=O)Nc2cccc(Cl)c2C)CC[C@@H]1[NH3+] ZINC000122836775 426397643 /nfs/dbraw/zinc/39/76/43/426397643.db2.gz KNGIBYOOISLPPW-JSGCOSHPSA-N 2 0 309.841 2.646 20 0 DFADRP C[C@@H]1C[C@H]([NH2+]CC(C)(C)c2ccc3c(c2)OCCO3)CC[N@@H+]1C ZINC000122867348 426399837 /nfs/dbraw/zinc/39/98/37/426399837.db2.gz RMVNHBRUBZYWJN-GDBMZVCRSA-N 2 0 318.461 2.808 20 0 DFADRP C[C@@H]1C[C@H]([NH2+]C[C@H](NC(=O)OC(C)(C)C)C2CC2)CN1C1CC1 ZINC000121611654 426351598 /nfs/dbraw/zinc/35/15/98/426351598.db2.gz SVFBHXOJDXEJBF-INWMFGNUSA-N 2 0 323.481 2.505 20 0 DFADRP CC(C)[C@@H](C)NC(=O)C[NH+]1CCC(CCC[NH+]2CCCC2)CC1 ZINC000121798810 426354025 /nfs/dbraw/zinc/35/40/25/426354025.db2.gz QQTXJRIRRJQXQA-QGZVFWFLSA-N 2 0 323.525 2.735 20 0 DFADRP C[C@@H]1C[C@H]([NH2+][C@@H]2CCCN(Cc3ccccc3)C2)CCN1C ZINC000152980578 426365242 /nfs/dbraw/zinc/36/52/42/426365242.db2.gz ZDKZPBXPJSNYQR-BHIYHBOVSA-N 2 0 301.478 2.723 20 0 DFADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1NCCC[NH+]1CCc2ccccc2C1 ZINC000122779826 426393524 /nfs/dbraw/zinc/39/35/24/426393524.db2.gz WJGGCZDBAYFLFF-HLIPFELVSA-N 2 0 315.505 2.753 20 0 DFADRP CC[C@H](C[NH2+][C@H](C)c1cnn(C)c1)N1CCc2ccccc2C1 ZINC000123106958 426413422 /nfs/dbraw/zinc/41/34/22/426413422.db2.gz JLXALQDSEDDKBX-DNVCBOLYSA-N 2 0 312.461 2.908 20 0 DFADRP COc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+]CCN(C)C(C)C)CC3 ZINC000123191727 426418546 /nfs/dbraw/zinc/41/85/46/426418546.db2.gz YLBUCFFIGXVFDI-CQSZACIVSA-N 2 0 315.461 2.964 20 0 DFADRP Cc1ccc([C@H](CN[C@@H]2CC[N@H+](C)[C@H](C)C2)[NH+]2CCCC2)o1 ZINC000154015886 426419374 /nfs/dbraw/zinc/41/93/74/426419374.db2.gz PXRHZTPUEKLCHQ-OIISXLGYSA-N 2 0 305.466 2.797 20 0 DFADRP CCC[C@@H](C)NC(=O)[C@H](C)[NH+]1CCC(CCC[NH+](C)C)CC1 ZINC000123271795 426423861 /nfs/dbraw/zinc/42/38/61/426423861.db2.gz WHIGKGUGSGUZNB-CVEARBPZSA-N 2 0 311.514 2.734 20 0 DFADRP C[NH+](C)CCCC1CC[NH+](CC(=O)Nc2ccccc2)CC1 ZINC000123410046 426432108 /nfs/dbraw/zinc/43/21/08/426432108.db2.gz MKVYBTHOGFOMCZ-UHFFFAOYSA-N 2 0 303.450 2.679 20 0 DFADRP CC[NH+]1CCN(CCC[NH2+][C@@H](C)c2ccc(C)cc2C)CC1 ZINC000154298974 426434347 /nfs/dbraw/zinc/43/43/47/426434347.db2.gz ACDDHCXTEXFWPM-SFHVURJKSA-N 2 0 303.494 2.982 20 0 DFADRP CCC(CC)NC(=O)[C@@H](C)[NH+]1CCC(CCC[NH+](C)C)CC1 ZINC000123478162 426436287 /nfs/dbraw/zinc/43/62/87/426436287.db2.gz ZWJFQRIOQQKURS-OAHLLOKOSA-N 2 0 311.514 2.734 20 0 DFADRP Cn1cncc1C[NH+]1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC000177041475 426438311 /nfs/dbraw/zinc/43/83/11/426438311.db2.gz RROQAFGAUIJNPP-UHFFFAOYSA-N 2 0 312.461 2.764 20 0 DFADRP C[C@]1(C[N@H+](CCCO)[C@@H]2CCCc3ccccc32)CC[NH2+]C1 ZINC000340700969 269001088 /nfs/dbraw/zinc/00/10/88/269001088.db2.gz KDRYUINXRNNZPK-MOPGFXCFSA-N 2 0 302.462 2.748 20 0 DFADRP CC[N@H+](Cc1ccc(C(=O)NC[C@H](C)C[NH+](C)C)cc1)C1CC1 ZINC000341329927 269071200 /nfs/dbraw/zinc/07/12/00/269071200.db2.gz UNVMCUVSXHDKQA-HNNXBMFYSA-N 2 0 317.477 2.598 20 0 DFADRP CC(C)C[N@@H+]1CCC[C@H](C[NH2+]C2CCN(CC(F)F)CC2)C1 ZINC000341358839 269071883 /nfs/dbraw/zinc/07/18/83/269071883.db2.gz SBOAKAWCZQHHGG-OAHLLOKOSA-N 2 0 317.468 2.674 20 0 DFADRP C[C@@H](C(=O)NCC[NH+]1[C@H](C)CCC[C@@H]1C)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000341430847 269076154 /nfs/dbraw/zinc/07/61/54/269076154.db2.gz QFEJPNSUUIQMOL-NNXHMXCWSA-N 2 0 309.498 2.627 20 0 DFADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]C[C@H](OC)C(C)(C)C)[C@H](C)C1 ZINC000154928479 426460191 /nfs/dbraw/zinc/46/01/91/426460191.db2.gz MJWCZJPURHPCHF-ZACQAIPSSA-N 2 0 314.514 2.774 20 0 DFADRP CC[N@H+](C)Cc1cccc(C[NH2+][C@@H]2C[C@H](C)[NH+](C)C[C@@H]2C)c1 ZINC000123935159 426461412 /nfs/dbraw/zinc/46/14/12/426461412.db2.gz CNGQMXDZHMQNAK-TXPKVOOTSA-N 3 0 303.494 2.957 20 0 DFADRP CC(=O)Oc1ccc(CN2CC[C@@H](C[NH+]3CCCCC3)C2)cc1 ZINC000124064644 426467544 /nfs/dbraw/zinc/46/75/44/426467544.db2.gz SZTUOMUUMFNKRE-SFHVURJKSA-N 2 0 316.445 2.920 20 0 DFADRP CC[NH2+]Cc1ccccc1NC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC000124191871 426474885 /nfs/dbraw/zinc/47/48/85/426474885.db2.gz KUEOOSAFDFWOPQ-HNNXBMFYSA-N 2 0 303.450 2.999 20 0 DFADRP C[C@@H](C(=O)NCC[N@H+](C)C1CCCCC1)[NH+]1[C@H](C)CC[C@H]1C ZINC000101658289 426485810 /nfs/dbraw/zinc/48/58/10/426485810.db2.gz BPZZEQAHCIYSDO-OAGGEKHMSA-N 2 0 309.498 2.628 20 0 DFADRP CC1(C)OCc2cc(C[NH2+]C[C@@H]3CC[N@@H+](C4CC4)C3)ccc2O1 ZINC000186364405 426513336 /nfs/dbraw/zinc/51/33/36/426513336.db2.gz DIJRRAQWUDBALD-HNNXBMFYSA-N 2 0 316.445 2.906 20 0 DFADRP C[C@H]([NH2+][C@@H]1CCCC[C@@H]1O)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272537261 426550622 /nfs/dbraw/zinc/55/06/22/426550622.db2.gz RLMUSIKGXREWJD-KANFNMMFSA-N 2 0 302.462 2.790 20 0 DFADRP C[C@H]([NH2+]CCCC[NH+](C)C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272537100 426550920 /nfs/dbraw/zinc/55/09/20/426550920.db2.gz RKEXHCJGBHPZPY-PKOBYXMFSA-N 3 0 303.494 2.828 20 0 DFADRP C[C@@H]([NH2+]CC(C)(C)CCO)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272536760 426552138 /nfs/dbraw/zinc/55/21/38/426552138.db2.gz BXJCVZKVISRJNB-SJLPKXTDSA-N 2 0 304.478 2.895 20 0 DFADRP Cc1cccc([C@H](C)[NH2+][C@H](C)CCN2CC[NH+](C)CC2)c1C ZINC000186563591 426552722 /nfs/dbraw/zinc/55/27/22/426552722.db2.gz IVDWFWIQXMQUKQ-AEFFLSMTSA-N 2 0 303.494 2.980 20 0 DFADRP Cc1cccc([C@H](C)[NH2+][C@@H](C)CCN2CC[NH+](C)CC2)c1C ZINC000186563556 426553149 /nfs/dbraw/zinc/55/31/49/426553149.db2.gz IVDWFWIQXMQUKQ-WMZOPIPTSA-N 2 0 303.494 2.980 20 0 DFADRP CCO[C@@H]1C[C@@H]([NH2+]CCC[NH+]2CCC(C)CC2)C12CCOCC2 ZINC000186214494 426494638 /nfs/dbraw/zinc/49/46/38/426494638.db2.gz ZLGWKTCMXSJZTN-QZTJIDSGSA-N 2 0 324.509 2.672 20 0 DFADRP CC[NH+]1CCN([C@@H](C)C[NH2+][C@@H](C)c2csc(C(C)C)n2)CC1 ZINC000186245325 426496523 /nfs/dbraw/zinc/49/65/23/426496523.db2.gz YCZVFOBTRPGEEC-GJZGRUSLSA-N 2 0 324.538 2.943 20 0 DFADRP CC[C@H]([NH2+]C[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1cnn(C)c1 ZINC000195136290 426502385 /nfs/dbraw/zinc/50/23/85/426502385.db2.gz HCRMZRALENMXEA-HKUYNNGSSA-N 2 0 312.461 2.983 20 0 DFADRP CCO[C@@H](CC[NH+](C)C)C[NH2+]CCCc1ccc2c(c1)CCO2 ZINC000280447737 426577486 /nfs/dbraw/zinc/57/74/86/426577486.db2.gz DEFFJWYUUUGXMR-SFHVURJKSA-N 2 0 320.477 2.501 20 0 DFADRP CC[C@H]([NH2+]Cc1cccc(C(=O)NCC[NH+](C)C)c1)C(C)(C)C ZINC000289087826 426580489 /nfs/dbraw/zinc/58/04/89/426580489.db2.gz BIFLHSJTXBIUPG-KRWDZBQOSA-N 2 0 319.493 2.892 20 0 DFADRP COC[C@H](Cc1ccccc1)[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000178255646 426593876 /nfs/dbraw/zinc/59/38/76/426593876.db2.gz ZCUMXYAJROIEND-IBGZPJMESA-N 2 0 302.462 2.708 20 0 DFADRP Cc1n[nH]cc1C[NH2+][C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000273120708 426597008 /nfs/dbraw/zinc/59/70/08/426597008.db2.gz ZHLOSVDMEGDLCU-QXAKKESOSA-N 2 0 310.445 2.718 20 0 DFADRP C[C@@H](NC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1)C(C)(C)C[NH+](C)C ZINC000178278480 426597770 /nfs/dbraw/zinc/59/77/70/426597770.db2.gz ZUKWTLKPHMMNBT-HZPDHXFCSA-N 2 0 323.525 2.734 20 0 DFADRP Cc1cc(C[NH+]2CCC(C[NH+]3CCN(C)CC3)CC2)ccc1F ZINC000289176571 426598563 /nfs/dbraw/zinc/59/85/63/426598563.db2.gz ADIJOTJXHMAYCZ-UHFFFAOYSA-N 2 0 319.468 2.594 20 0 DFADRP CC(C)C[C@@H](C)C[NH2+]Cc1ccnc(N2CC[NH+](C)CC2)c1 ZINC000289206854 426605533 /nfs/dbraw/zinc/60/55/33/426605533.db2.gz IFWNWRCUMQXCMD-MRXNPFEDSA-N 2 0 304.482 2.605 20 0 DFADRP C[C@H](CC(=O)Nc1cccc(F)c1)[NH2+]CC1(C)CC[NH+](C)CC1 ZINC000272550221 426556043 /nfs/dbraw/zinc/55/60/43/426556043.db2.gz LYOTXPBDEXDHHB-CQSZACIVSA-N 2 0 321.440 2.864 20 0 DFADRP Cc1ccc([C@H](C)[NH2+][C@@H](C)CCN2CC[NH+](C)CC2)c(C)c1 ZINC000186589197 426556995 /nfs/dbraw/zinc/55/69/95/426556995.db2.gz QXCRGWSQKXLYGZ-ROUUACIJSA-N 2 0 303.494 2.980 20 0 DFADRP CC(C)c1nc([C@@H](C)[NH2+][C@@H](C)CCN2CC[NH+](C)CC2)cs1 ZINC000186583091 426557061 /nfs/dbraw/zinc/55/70/61/426557061.db2.gz LUCDOTSUPAFRKY-LSDHHAIUSA-N 2 0 324.538 2.943 20 0 DFADRP C[C@@H](CC(=O)Nc1ccc(F)cc1)[NH2+]CC1(C)CC[NH+](C)CC1 ZINC000272566066 426561241 /nfs/dbraw/zinc/56/12/41/426561241.db2.gz OGCRDRUBYGHBBF-AWEZNQCLSA-N 2 0 321.440 2.864 20 0 DFADRP COc1ccc([C@@H](C)[NH2+][C@@H](C)CCN2CC[NH+](C)CC2)c(F)c1 ZINC000186604433 426563505 /nfs/dbraw/zinc/56/35/05/426563505.db2.gz YRRNMYAYXSEYTM-LSDHHAIUSA-N 2 0 323.456 2.511 20 0 DFADRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+][C@H](C)Cc1ccc(Cl)cc1 ZINC000186606183 426564085 /nfs/dbraw/zinc/56/40/85/426564085.db2.gz JPIUXXRUNBEARD-HZPDHXFCSA-N 2 0 323.912 2.887 20 0 DFADRP COc1ccc([C@H](C)[NH2+][C@@H](C)CCN2CC[NH+](C)CC2)c(F)c1 ZINC000186604396 426564095 /nfs/dbraw/zinc/56/40/95/426564095.db2.gz YRRNMYAYXSEYTM-GJZGRUSLSA-N 2 0 323.456 2.511 20 0 DFADRP CN1CC[NH+](CC2CC[NH+](Cc3cccc(Cl)c3)CC2)CC1 ZINC000265415720 426632834 /nfs/dbraw/zinc/63/28/34/426632834.db2.gz GTXXVEURBSBAKS-UHFFFAOYSA-N 2 0 321.896 2.799 20 0 DFADRP CC[NH+]1CCC([NH2+]CC2CCN(c3ccccc3)CC2)CC1 ZINC000280705738 426638662 /nfs/dbraw/zinc/63/86/62/426638662.db2.gz WPXLDTMHVDIHFM-UHFFFAOYSA-N 2 0 301.478 2.977 20 0 DFADRP CCCc1cccc(C[NH2+]CCCC[N@@H+]2CCC[C@@H]2CO)c1 ZINC000187229363 426640214 /nfs/dbraw/zinc/64/02/14/426640214.db2.gz SVHHRHNEHBJXMT-LJQANCHMSA-N 2 0 304.478 2.966 20 0 DFADRP CCN(CCC[NH+](C)C)Cc1c[nH]nc1-c1ccc(OC)cc1 ZINC000289440451 426658662 /nfs/dbraw/zinc/65/86/62/426658662.db2.gz LWEYBXKWWSDLQE-UHFFFAOYSA-N 2 0 316.449 2.859 20 0 DFADRP CN(CC[N@H+](C)Cc1ccc2occc2c1)C1CC[NH+](C)CC1 ZINC000289457899 426662707 /nfs/dbraw/zinc/66/27/07/426662707.db2.gz OAUASEFSHBAWJJ-UHFFFAOYSA-N 2 0 315.461 2.891 20 0 DFADRP CC[C@@H](C(=O)Nc1ccc(OCC[NH+](C)C)cc1)[NH+](CC)CC ZINC000265647123 426669568 /nfs/dbraw/zinc/66/95/68/426669568.db2.gz XHXQZFVPXHXJSJ-KRWDZBQOSA-N 2 0 321.465 2.686 20 0 DFADRP CC[C@]1(C[NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)OCCc2ccccc21 ZINC000289614776 426670687 /nfs/dbraw/zinc/67/06/87/426670687.db2.gz DGUOEJCTIULMEA-SZVBFZGTSA-N 2 0 302.462 2.937 20 0 DFADRP C[NH2+]CCCC(=O)Nc1ccc(C[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000178689826 426676584 /nfs/dbraw/zinc/67/65/84/426676584.db2.gz UPZYYLVDCVWGPB-HNNXBMFYSA-N 2 0 303.450 2.999 20 0 DFADRP CC(C)CC[NH+]1CCC(CNC(=O)C2([NH3+])CCCCC2)CC1 ZINC000236712431 426678789 /nfs/dbraw/zinc/67/87/89/426678789.db2.gz IVZDTZNASGGNPB-UHFFFAOYSA-N 2 0 309.498 2.522 20 0 DFADRP CCCCc1nc2cc(NC(=O)[C@@H]3CCC[NH2+]C3)ccc2[nH]1 ZINC000178708618 426680393 /nfs/dbraw/zinc/68/03/93/426680393.db2.gz VOFKKGLQNIZJLW-GFCCVEGCSA-N 2 0 300.406 2.844 20 0 DFADRP CC(C)[C@H]([NH3+])C(=O)NCC1([NH2+][C@H](C)c2ccccc2)CCCC1 ZINC000236739695 426682234 /nfs/dbraw/zinc/68/22/34/426682234.db2.gz SLJVVCJXCFHJAM-WBVHZDCISA-N 2 0 317.477 2.750 20 0 DFADRP CC(C)C[C@H]([NH3+])C(=O)Nc1cccc(C[NH+]2CCCCC2)c1 ZINC000236747862 426682312 /nfs/dbraw/zinc/68/23/12/426682312.db2.gz JTWJMMXRAZURIF-KRWDZBQOSA-N 2 0 303.450 2.984 20 0 DFADRP Cc1c(Cl)cccc1NC(=O)CN1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000227189799 426625753 /nfs/dbraw/zinc/62/57/53/426625753.db2.gz HJAHDSUYVFBSNC-QWHCGFSZSA-N 2 0 309.841 2.646 20 0 DFADRP CC(C)[C@](C)(O)C[N@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000187101880 426628466 /nfs/dbraw/zinc/62/84/66/426628466.db2.gz CAIVFCAZFYCOHN-RBUKOAKNSA-N 2 0 304.478 2.847 20 0 DFADRP CC(C)CC[NH+]1CCC(CNC(=O)c2ccc(C[NH3+])cc2)CC1 ZINC000178855027 426708835 /nfs/dbraw/zinc/70/88/35/426708835.db2.gz GQTYZNPINYFFKP-UHFFFAOYSA-N 2 0 317.477 2.633 20 0 DFADRP C[N@H+](C[C@@H](O)C(C)(C)C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000290192395 426713737 /nfs/dbraw/zinc/71/37/37/426713737.db2.gz GASRYCWVAYZLMQ-ZWKOTPCHSA-N 2 0 304.478 2.847 20 0 DFADRP CCO[C@@H](CC[NH+](C)C)C[NH2+][C@H](c1cccnc1)C1CCC1 ZINC000280947126 426692041 /nfs/dbraw/zinc/69/20/41/426692041.db2.gz SXGXHZRMSVYFQG-ROUUACIJSA-N 2 0 305.466 2.869 20 0 DFADRP C[C@@H](CC(=O)NCC(C)(C)[N@@H+]1CCC[C@@H](C)C1)[C@@H]1CCC[NH2+]C1 ZINC000237531288 426694035 /nfs/dbraw/zinc/69/40/35/426694035.db2.gz DCPHCEGQEQAIGG-IXDOHACOSA-N 2 0 323.525 2.639 20 0 DFADRP C[C@H]([NH2+]CC1CC[NH+](C[C@H](O)c2ccccc2)CC1)C1CC1 ZINC000237544489 426694734 /nfs/dbraw/zinc/69/47/34/426694734.db2.gz UNMFSEYXPUIFER-KXBFYZLASA-N 2 0 302.462 2.820 20 0 DFADRP C[C@]1(c2ccccc2)CC[C@H]([NH2+]C[C@H](O)C[NH+]2CCCCC2)C1 ZINC000187820550 426697941 /nfs/dbraw/zinc/69/79/41/426697941.db2.gz NPZZSDICIHYTHD-UFYCRDLUSA-N 2 0 316.489 2.933 20 0 DFADRP C[C@H](C[NH2+]C[C@@H](C)c1cccc(Cl)c1)CN1CC[NH+](C)CC1 ZINC000187856569 426699785 /nfs/dbraw/zinc/69/97/85/426699785.db2.gz OIVDMUWGAKHSPU-HZPDHXFCSA-N 2 0 323.912 2.917 20 0 DFADRP c1ccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@H]([NH2+][C@@H]2CCCOC2)C3)cc1 ZINC000245731103 426768405 /nfs/dbraw/zinc/76/84/05/426768405.db2.gz QEIXJLQUGJNOCV-MKXGPGLRSA-N 2 0 300.446 2.951 20 0 DFADRP CCO[C@@H](CC[NH+](C)C)C[NH2+][C@@H]1CCc2cc(F)c(OC)cc21 ZINC000281815791 426769645 /nfs/dbraw/zinc/76/96/45/426769645.db2.gz ZFZYSMBZQBCTAN-WMLDXEAASA-N 2 0 324.440 2.768 20 0 DFADRP c1cnn(CC[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)c1 ZINC000245766625 426770812 /nfs/dbraw/zinc/77/08/12/426770812.db2.gz WMGSKQVVUIEXJX-REPLKXPHSA-N 2 0 310.445 2.668 20 0 DFADRP CCSCC[N@@H+]1CC[C@@H](CN(C)Cc2scnc2C)C1 ZINC000188648170 426771882 /nfs/dbraw/zinc/77/18/82/426771882.db2.gz YICAVXLEYTZBGJ-AWEZNQCLSA-N 2 0 313.536 2.958 20 0 DFADRP Cn1c2ccccc2nc1C[N@@H+]1CC[C@H](C2CC[NH+](C)CC2)C1 ZINC000290494827 426776501 /nfs/dbraw/zinc/77/65/01/426776501.db2.gz OUDAMHGLVPCEQF-INIZCTEOSA-N 2 0 312.461 2.737 20 0 DFADRP C[C@H]([NH2+]CCCC[N@@H+]1CCC[C@H]1CO)c1cccc(F)c1F ZINC000245901703 426780952 /nfs/dbraw/zinc/78/09/52/426780952.db2.gz NYZZOWZQTWQYMX-KBPBESRZSA-N 2 0 312.404 2.852 20 0 DFADRP CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]1[NH2+]C[C@H]1CC[N@@H+](C2CC2)C1 ZINC000245918916 426782411 /nfs/dbraw/zinc/78/24/11/426782411.db2.gz XFHDWLZRFZQIMV-VNQPRFMTSA-N 2 0 323.481 2.506 20 0 DFADRP C[C@H]1CC[N@H+](CC2CC[NH2+]CC2)CCN1Cc1ccccc1 ZINC000178982300 426729970 /nfs/dbraw/zinc/72/99/70/426729970.db2.gz XBUJKQFXWPSDFF-KRWDZBQOSA-N 2 0 301.478 2.582 20 0 DFADRP O[C@@H](CC[N@@H+]1CC[C@@H](CNc2ccccn2)C1)c1ccccc1 ZINC000290275719 426730428 /nfs/dbraw/zinc/73/04/28/426730428.db2.gz LTRDCQLCPHPFFJ-WMZOPIPTSA-N 2 0 311.429 2.939 20 0 DFADRP CC[N@@H+]1CC[C@H](C[NH2+][C@H](Cc2cccc(OC)c2)C2CC2)C1 ZINC000245528339 426747960 /nfs/dbraw/zinc/74/79/60/426747960.db2.gz GCKVTHZLLWPQHF-VQIMIIECSA-N 2 0 302.462 2.948 20 0 DFADRP CN(CC[C@@H]1CCCC[N@@H+]1C)C[C@H](O)c1cc(F)ccc1F ZINC000266611356 426749077 /nfs/dbraw/zinc/74/90/77/426749077.db2.gz WPOWTERVGHPWKD-YOEHRIQHSA-N 2 0 312.404 2.804 20 0 DFADRP CCOC(=O)[C@@H](CC)N(C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000266619387 426751905 /nfs/dbraw/zinc/75/19/05/426751905.db2.gz KRMXXSMQHQYGDU-ZWKOTPCHSA-N 2 0 318.461 2.782 20 0 DFADRP Cc1nccn1CCC[N@@H+](C)[C@H](C)C(=O)N1[C@@H](C)CCC[C@@H]1C ZINC000245582145 426755235 /nfs/dbraw/zinc/75/52/35/426755235.db2.gz JBMCAVWAPPRPIA-HRCADAONSA-N 2 0 320.481 2.691 20 0 DFADRP CCn1nc(CN(C)[C@@H]2CC[N@H+](C)C[C@H]2C)c2ccccc21 ZINC000290405990 426758032 /nfs/dbraw/zinc/75/80/32/426758032.db2.gz JSPLKQCPLMLKRE-RHSMWYFYSA-N 2 0 300.450 2.828 20 0 DFADRP c1cn2cc(CN3CC[C@H]4[C@H](CCC[N@@H+]4C4CC4)C3)nc2s1 ZINC000179181303 426765109 /nfs/dbraw/zinc/76/51/09/426765109.db2.gz DXEOHEOSLKIGCN-CJNGLKHVSA-N 2 0 316.474 2.845 20 0 DFADRP COCC[C@H]1CCC[C@H]1[NH2+]Cc1ccc(OCC[NH+](C)C)cc1 ZINC000281955061 426800897 /nfs/dbraw/zinc/80/08/97/426800897.db2.gz ARRZGETVVPWOBK-IEBWSBKVSA-N 2 0 320.477 2.922 20 0 DFADRP C[NH2+]C[C@@H](C)C(=O)Nc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000246158384 426805712 /nfs/dbraw/zinc/80/57/12/426805712.db2.gz AAWHNEWITDXDRP-HUUCEWRRSA-N 2 0 303.450 2.713 20 0 DFADRP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)[C@@H]1CCCCCC[C@@H]1[NH3+] ZINC000246240492 426812449 /nfs/dbraw/zinc/81/24/49/426812449.db2.gz IUHAUMOJDMYVJW-TWMKSMIVSA-N 2 0 309.498 2.521 20 0 DFADRP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)[C@H]1CCCCCC[C@@H]1[NH3+] ZINC000246240487 426812700 /nfs/dbraw/zinc/81/27/00/426812700.db2.gz IUHAUMOJDMYVJW-QZWWFDLISA-N 2 0 309.498 2.521 20 0 DFADRP CCC[N@H+](C)C[C@H]1CCN(C(=O)Nc2ccn3ccnc3c2)C1 ZINC000290689353 426819793 /nfs/dbraw/zinc/81/97/93/426819793.db2.gz MMHUWDDFTJJSEL-CQSZACIVSA-N 2 0 315.421 2.530 20 0 DFADRP OCC[NH+]1CCC(C[NH2+][C@H]2CC[C@@H](Cc3ccccc3)C2)CC1 ZINC000189165361 426827077 /nfs/dbraw/zinc/82/70/77/426827077.db2.gz BYTNYEQJAFBHQY-PMACEKPBSA-N 2 0 316.489 2.692 20 0 DFADRP C[C@@H](C(=O)NCCC[N@@H+]1CCCC[C@H]1C)[NH+]1CCCCCC1 ZINC000246721765 426857907 /nfs/dbraw/zinc/85/79/07/426857907.db2.gz LWKLZXLBHCUFQC-SJORKVTESA-N 2 0 309.498 2.632 20 0 DFADRP C[C@H]1Cc2ccccc2[C@H]1[NH2+]CCN1CC[N@H+](C)C(C)(C)C1 ZINC000282124914 426834092 /nfs/dbraw/zinc/83/40/92/426834092.db2.gz AZKJWPGZWOBZRL-YJBOKZPZSA-N 2 0 301.478 2.536 20 0 DFADRP CC[C@H]([NH2+]CCN1CC[N@H+](C)C(C)(C)C1)c1ccccc1F ZINC000282125031 426834685 /nfs/dbraw/zinc/83/46/85/426834685.db2.gz AZVDVZRDYDMLIU-KRWDZBQOSA-N 2 0 307.457 2.892 20 0 DFADRP CCC(C)(C)[NH2+][C@H](C)C(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000274797528 426838988 /nfs/dbraw/zinc/83/89/88/426838988.db2.gz MNCZHNHWYFFKIA-HYVNUMGLSA-N 2 0 317.477 2.715 20 0 DFADRP CCC(C)(C)[NH2+][C@H](C)C(=O)N[C@H](C)[C@@H](c1ccccc1)[NH+](C)C ZINC000274805358 426840236 /nfs/dbraw/zinc/84/02/36/426840236.db2.gz UCEJVTKBWKIALE-INMHGKMJSA-N 2 0 319.493 2.961 20 0 DFADRP Cc1cc([C@H](C)[NH2+]CC2CCN(c3cc[nH+]cc3)CC2)nn1C ZINC000282155434 426842025 /nfs/dbraw/zinc/84/20/25/426842025.db2.gz LKWDQDADKNQJGD-HNNXBMFYSA-N 2 0 313.449 2.691 20 0 DFADRP CCO[C@@H](CC[NH+](C)C)C[NH2+][C@H]1Cc2[nH]c3ccccc3c2C1 ZINC000282205320 426854459 /nfs/dbraw/zinc/85/44/59/426854459.db2.gz HCCDINCSTPMMOU-CABCVRRESA-N 2 0 315.461 2.582 20 0 DFADRP C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2cc3ccccc3[nH]c2=O)C1 ZINC000290572567 426795609 /nfs/dbraw/zinc/79/56/09/426795609.db2.gz TYLIZTDYLGBNII-CRAIPNDOSA-N 2 0 311.429 2.857 20 0 DFADRP CC[C@H](C)NC(=O)C[NH+]1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000246088418 426796659 /nfs/dbraw/zinc/79/66/59/426796659.db2.gz UWTSXWOOSUHADI-DLBZAZTESA-N 2 0 323.525 2.878 20 0 DFADRP C[N@@H+]1CCN(CC[NH2+][C@H]2CC[C@H](c3ccccc3)C2)CC1(C)C ZINC000282443850 426916486 /nfs/dbraw/zinc/91/64/86/426916486.db2.gz SBNKORSFLRBVTM-OALUTQOASA-N 2 0 315.505 2.938 20 0 DFADRP C[C@@H](C(=O)Nc1ccc(CC[NH+](C)C)cc1)[NH+]1[C@H](C)CC[C@H]1C ZINC000275786280 426917613 /nfs/dbraw/zinc/91/76/13/426917613.db2.gz IMRSDZMNPPACIW-OAGGEKHMSA-N 2 0 317.477 2.991 20 0 DFADRP OC1(C[N@@H+]2C[C@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)CCCC1 ZINC000309997262 426917634 /nfs/dbraw/zinc/91/76/34/426917634.db2.gz CEZQZBHNRAUVJS-MOPGFXCFSA-N 2 0 314.473 2.745 20 0 DFADRP C[N@H+](CCCNC(=O)c1ccc2c(c1)C[NH2+]C2)Cc1ccccc1 ZINC000309988034 426918061 /nfs/dbraw/zinc/91/80/61/426918061.db2.gz BSWHJPRIWYJWBG-UHFFFAOYSA-N 2 0 323.440 2.542 20 0 DFADRP Oc1ccc(F)c(CN2CC[C@H](CNc3ccccn3)C2)c1F ZINC000295343329 426919366 /nfs/dbraw/zinc/91/93/66/426919366.db2.gz MTOWEFZQOZBMGP-GFCCVEGCSA-N 2 0 319.355 2.999 20 0 DFADRP c1ccc(C[NH+]2CC[C@@H]3C[N@@H+](C[C@H]4CCCO4)C[C@@H]3C2)cc1 ZINC000309954994 426919298 /nfs/dbraw/zinc/91/92/98/426919298.db2.gz IEZZAPMJLTYDHO-CEXWTWQISA-N 2 0 300.446 2.619 20 0 DFADRP C[C@@H]1CCC[C@H](C)[C@H]1[NH2+]Cc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000247253880 426921898 /nfs/dbraw/zinc/92/18/98/426921898.db2.gz ZWYMQVMUNDDUMO-MNZLEMJZSA-N 2 0 316.493 2.748 20 0 DFADRP C[N@@H+]1CCN(CC[NH2+][C@@H](Cc2ccccc2)C2CC2)CC1(C)C ZINC000282232355 426860200 /nfs/dbraw/zinc/86/02/00/426860200.db2.gz IOPAEEQYUPQDBN-IBGZPJMESA-N 2 0 315.505 2.623 20 0 DFADRP C[C@H](CC(N)=O)[NH2+]Cc1ccccc1C[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000267289603 426864709 /nfs/dbraw/zinc/86/47/09/426864709.db2.gz XLYHCHZCHOPJRQ-BZUAXINKSA-N 2 0 317.477 2.518 20 0 DFADRP C[C@H]1CCC[N@H+](CCCC[NH2+]Cc2c[nH]c3nccnc23)C1 ZINC000290922213 426866110 /nfs/dbraw/zinc/86/61/10/426866110.db2.gz QQRVWJMADSRAKD-AWEZNQCLSA-N 2 0 301.438 2.560 20 0 DFADRP CN(C)c1cc(NC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)ccn1 ZINC000267331506 426874799 /nfs/dbraw/zinc/87/47/99/426874799.db2.gz JDGBWQITUWZHMH-AWEZNQCLSA-N 2 0 316.449 2.741 20 0 DFADRP C[C@H]([NH2+]C[C@@H]1CCC[C@@H](O)C1)c1cccc(OCC[NH+](C)C)c1 ZINC000305157196 426888391 /nfs/dbraw/zinc/88/83/91/426888391.db2.gz QKEIUKJOZGWAOS-LZLYRXPVSA-N 2 0 320.477 2.829 20 0 DFADRP Clc1cccc(CC[NH2+]C2CC[NH+](C[C@H]3CCOC3)CC2)c1 ZINC000291480812 426894458 /nfs/dbraw/zinc/89/44/58/426894458.db2.gz QWVKWJKDVBCTGU-MRXNPFEDSA-N 2 0 322.880 2.973 20 0 DFADRP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NCC1([NH+](C)C)CCC1 ZINC000275685232 426895514 /nfs/dbraw/zinc/89/55/14/426895514.db2.gz IQTQWEOXYQMIFF-PKOBYXMFSA-N 2 0 315.505 2.971 20 0 DFADRP C[C@@H]1CSC[C@H]1[NH2+]CCc1ccc(OCC[NH+](C)C)cc1 ZINC000295299584 426897291 /nfs/dbraw/zinc/89/72/91/426897291.db2.gz XMCOUADCZGZEPE-RHSMWYFYSA-N 2 0 308.491 2.511 20 0 DFADRP COC[C@@H](Cc1ccccc1)[NH2+]C[C@H]1CCC[N@@H+](C(C)C)C1 ZINC000247159129 426910214 /nfs/dbraw/zinc/91/02/14/426910214.db2.gz XRTJYGJZVRRXQE-RTBURBONSA-N 2 0 304.478 2.954 20 0 DFADRP CCC(C)(C)[NH2+][C@H](C)C(=O)Nc1ccccc1CC[NH+](C)C ZINC000275761719 426911206 /nfs/dbraw/zinc/91/12/06/426911206.db2.gz CNMLYBFDJIYQAA-CQSZACIVSA-N 2 0 305.466 2.896 20 0 DFADRP C[NH+](C)[C@]1(CN[C@@H](c2ncc[nH]2)c2ccccc2)CCSC1 ZINC000275926778 426948314 /nfs/dbraw/zinc/94/83/14/426948314.db2.gz WVQDBLLYWQRXHB-WBVHZDCISA-N 2 0 316.474 2.526 20 0 DFADRP CC[C@H]1C[N@H+](CCCc2nc(-c3cccs3)no2)CC[C@@H]1[NH3+] ZINC000316909270 426951682 /nfs/dbraw/zinc/95/16/82/426951682.db2.gz VHBCBNNTYYNLLS-STQMWFEESA-N 2 0 320.462 2.790 20 0 DFADRP CC[C@H]1CN(Cc2nc(-c3ccc(C)cc3)no2)CC[C@H]1[NH3+] ZINC000317121951 426955784 /nfs/dbraw/zinc/95/57/84/426955784.db2.gz HKFGKQGEIWLWGM-DZGCQCFKSA-N 2 0 300.406 2.604 20 0 DFADRP OC[C@@]1(Cc2ccccc2)CCC[N@H+](CCCn2ccnc2)C1 ZINC000291712273 426962322 /nfs/dbraw/zinc/96/23/22/426962322.db2.gz IPOGOIFLWAVKBC-LJQANCHMSA-N 2 0 313.445 2.590 20 0 DFADRP CC(C)(C)OC(=O)CCC[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000181556292 426964235 /nfs/dbraw/zinc/96/42/35/426964235.db2.gz JXEUWYORWMXQII-UHFFFAOYSA-N 2 0 310.482 2.916 20 0 DFADRP Cc1oncc1C[NH+]1CCC(CC[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000181735778 426976547 /nfs/dbraw/zinc/97/65/47/426976547.db2.gz FQNZVHZCJKDTOG-GJZGRUSLSA-N 2 0 321.465 2.694 20 0 DFADRP Cc1oncc1CN(C)C1CC[NH+](CCc2ccccn2)CC1 ZINC000181735286 426976597 /nfs/dbraw/zinc/97/65/97/426976597.db2.gz PBTDGUIHJKJDTP-UHFFFAOYSA-N 2 0 314.433 2.517 20 0 DFADRP CC[N@@H+]1CC[C@H]([NH2+][C@H]2CCCN(c3ccccc3)C2)[C@H](C)C1 ZINC000248199645 426986251 /nfs/dbraw/zinc/98/62/51/426986251.db2.gz YFNVEPIXJAMATC-AOIWGVFYSA-N 2 0 301.478 2.975 20 0 DFADRP COc1ccc2c(c1)[C@@H]([NH2+]C[C@H]1CCC[N@H+](C)C1)CCCO2 ZINC000248215791 426987067 /nfs/dbraw/zinc/98/70/67/426987067.db2.gz ZPRYVOGAAHCYRA-PBHICJAKSA-N 2 0 304.434 2.840 20 0 DFADRP C[C@H](Cc1ccccc1F)[NH2+]C1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000275824486 426928601 /nfs/dbraw/zinc/92/86/01/426928601.db2.gz GVKAIXZMJAXROY-NIKGAXFTSA-N 2 0 320.452 2.724 20 0 DFADRP C[C@@H](C(=O)Nc1ccccc1CC[NH+](C)C)[NH+]1[C@H](C)CC[C@H]1C ZINC000275844501 426931914 /nfs/dbraw/zinc/93/19/14/426931914.db2.gz KBACNBULUWMOJQ-OAGGEKHMSA-N 2 0 317.477 2.991 20 0 DFADRP Fc1ccc(N2CC[NH+](CCCC3CC[NH2+]CC3)CC2)cc1 ZINC000315414374 426936992 /nfs/dbraw/zinc/93/69/92/426936992.db2.gz ISYFNSFGXBZTEL-UHFFFAOYSA-N 2 0 305.441 2.728 20 0 DFADRP C[N@@H+]1CCC[C@@H]2CN(CN3C[C@H](CC(C)(C)C)OC3=O)CC[C@@H]21 ZINC000248884012 427059428 /nfs/dbraw/zinc/05/94/28/427059428.db2.gz DPAXDJHWKZIPIV-PMPSAXMXSA-N 2 0 323.481 2.617 20 0 DFADRP C[C@@H]([NH2+]CCOCC(F)F)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000276158730 426996620 /nfs/dbraw/zinc/99/66/20/426996620.db2.gz CYODOKXKDAISDP-GDBMZVCRSA-N 2 0 312.404 2.768 20 0 DFADRP CC(C)C[C@@H](C[NH+]1CCCC1)NC(=O)c1ccc2c[nH+]cn2c1 ZINC000295539028 426997881 /nfs/dbraw/zinc/99/78/81/426997881.db2.gz RYXLEAJUIPNPOK-INIZCTEOSA-N 2 0 314.433 2.575 20 0 DFADRP C[C@@H]([NH2+]C[C@H](C)CN1CCOCC1)[C@@H]1C[C@H]1c1ccccc1 ZINC000283394705 427008372 /nfs/dbraw/zinc/00/83/72/427008372.db2.gz PWIDXDVNEFCIPZ-NBMJBFSESA-N 2 0 302.462 2.737 20 0 DFADRP CCC(C)(C)[NH2+][C@H](C)C(=O)NCc1ccc(CC[NH+](C)C)cc1 ZINC000276216375 427009832 /nfs/dbraw/zinc/00/98/32/427009832.db2.gz IKHXAGLHUIPVTF-OAHLLOKOSA-N 2 0 319.493 2.574 20 0 DFADRP Cc1cccc(NC[C@@H]2CC[NH+](CC[C@@H]3CCCC[N@H+]3C)C2)n1 ZINC000268563081 427054792 /nfs/dbraw/zinc/05/47/92/427054792.db2.gz POHGNDKYBAEOSN-ROUUACIJSA-N 2 0 316.493 2.998 20 0 DFADRP CC(C)OC(=O)c1ccc(CN2CC[C@]3(CC[N@H+](C)C3)C2)cc1 ZINC000292037586 427067738 /nfs/dbraw/zinc/06/77/38/427067738.db2.gz AAUPOMIURLCJHF-IBGZPJMESA-N 2 0 316.445 2.779 20 0 DFADRP C[N@H+](C[C@@H]1CC=CCC1)C[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000190318805 427074477 /nfs/dbraw/zinc/07/44/77/427074477.db2.gz ANLQVIPFKNEHTI-UYAOXDASSA-N 2 0 314.473 2.912 20 0 DFADRP CC(C)CC[N@@H+]1Cc2cccc(NC(=O)[C@H](C)[C@H](C)[NH3+])c2C1 ZINC000249034107 427077180 /nfs/dbraw/zinc/07/71/80/427077180.db2.gz MJODTFRUUVSERK-KGLIPLIRSA-N 2 0 303.450 2.970 20 0 DFADRP OC[C@@H]1CCC[N@@H+]1CCCC[NH2+][C@@H]1CCC[C@@H]1CCCF ZINC000337991104 427079752 /nfs/dbraw/zinc/07/97/52/427079752.db2.gz WSGFJAYLXZKXIW-IXDOHACOSA-N 2 0 300.462 2.731 20 0 DFADRP CC(C)[C@H](C[NH2+][C@H]1CCC[C@@H]1CCCF)N1CC[NH+](C)CC1 ZINC000337999599 427084112 /nfs/dbraw/zinc/08/41/12/427084112.db2.gz WDDSWVLUZIOJQW-SQNIBIBYSA-N 2 0 313.505 2.766 20 0 DFADRP C[C@@H]1C[C@H](NCC(C)(C)[NH+](C)C)CC[N@@H+]1Cc1ccccc1 ZINC000268701102 427092816 /nfs/dbraw/zinc/09/28/16/427092816.db2.gz FPSVIKRINAQEDY-SJLPKXTDSA-N 3 0 303.494 2.969 20 0 DFADRP COc1ccnc(CN2CCC[C@H]2C[NH+]2CCCCC2)c1OC ZINC000190509205 427129172 /nfs/dbraw/zinc/12/91/72/427129172.db2.gz UPNXMPSGUCBYDT-HNNXBMFYSA-N 2 0 319.449 2.549 20 0 DFADRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@H]1CCCc2ccc(O)cc21 ZINC000283916459 427100031 /nfs/dbraw/zinc/10/00/31/427100031.db2.gz DODSDIPLUAQZNJ-AEFFLSMTSA-N 2 0 306.450 2.716 20 0 DFADRP CC[NH+](CC)CCOc1ccccc1C[NH2+][C@@H](C)[C@@H](C)OC ZINC000268789661 427114196 /nfs/dbraw/zinc/11/41/96/427114196.db2.gz UIALZYJAXCYZGP-JKSUJKDBSA-N 2 0 308.466 2.920 20 0 DFADRP C[C@@H](C(=O)NCC(C)(C)[NH+]1CCC[C@@H](C)C1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000338048265 427114514 /nfs/dbraw/zinc/11/45/14/427114514.db2.gz ANRHQTBZQKXZOA-NCOADZHNSA-N 2 0 323.525 2.874 20 0 DFADRP CC[C@@H](C)NC(=O)C[NH+]1CCC(CCC[NH+](CC)CC)CC1 ZINC000182763152 427142135 /nfs/dbraw/zinc/14/21/35/427142135.db2.gz PKTYSNIZXHSNAU-MRXNPFEDSA-N 2 0 311.514 2.735 20 0 DFADRP CC[NH+](CC)CCCC1CC[NH+]([C@H]2CCN(C(C)C)C2=O)CC1 ZINC000182759416 427142147 /nfs/dbraw/zinc/14/21/47/427142147.db2.gz UNVOYGKDPCMUQY-SFHVURJKSA-N 2 0 323.525 2.830 20 0 DFADRP C[N@H+](CCCn1ccnc1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000182803913 427149676 /nfs/dbraw/zinc/14/96/76/427149676.db2.gz WMKBYJYSFGRQHD-IBGZPJMESA-N 2 0 312.461 2.727 20 0 DFADRP C[C@H](O)C[C@H](C[NH2+][C@@H]1C[C@@H](C)[N@H+](C)C[C@@H]1C)c1ccccc1 ZINC000269043758 427149818 /nfs/dbraw/zinc/14/98/18/427149818.db2.gz XWSMGYWBSCPVSD-HRAJDOBDSA-N 2 0 304.478 2.859 20 0 DFADRP C[NH+](C)[C@@H](CNC(=O)c1ccc2c[nH+]cn2c1)C1CCCCC1 ZINC000284189722 427152577 /nfs/dbraw/zinc/15/25/77/427152577.db2.gz YMSZFTJDHGTGMC-KRWDZBQOSA-N 2 0 314.433 2.575 20 0 DFADRP CCCC[N@H+](CC)Cc1cccc(CNC(=O)[C@H](C)C[NH2+]C)c1 ZINC000269263016 427156231 /nfs/dbraw/zinc/15/62/31/427156231.db2.gz NMZVLRYFHIYWLT-MRXNPFEDSA-N 2 0 319.493 2.780 20 0 DFADRP Cc1cc([C@@H](C)[NH2+]CCc2ccc(OCC[NH+](C)C)cc2)no1 ZINC000284230127 427159236 /nfs/dbraw/zinc/15/92/36/427159236.db2.gz UOUCFCQLEAKWLU-OAHLLOKOSA-N 2 0 317.433 2.817 20 0 DFADRP C[C@H](C(=O)N1CCC[N@@H+](C2CCCC2)CC1)[NH+]1CCCCCC1 ZINC000174201317 271132820 /nfs/dbraw/zinc/13/28/20/271132820.db2.gz YEMDJTUQGCPKSO-QGZVFWFLSA-N 2 0 321.509 2.728 20 0 DFADRP C[C@@H]1CCC[C@H](CC[NH+]2CCC(C(=O)NCC[NH+](C)C)CC2)C1 ZINC000177050722 271172411 /nfs/dbraw/zinc/17/24/11/271172411.db2.gz RJEQSJUTUBAJIS-IAGOWNOFSA-N 2 0 323.525 2.593 20 0 DFADRP [NH3+]CCCCCCC(=O)NC[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000237987541 271254724 /nfs/dbraw/zinc/25/47/24/271254724.db2.gz DBCQCNLWXMOLQI-SFHVURJKSA-N 2 0 317.477 2.676 20 0 DFADRP O=C(c1ccccc1Oc1ccncc1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000338171680 427169830 /nfs/dbraw/zinc/16/98/30/427169830.db2.gz NMQCWGKIHOZTEI-HNNXBMFYSA-N 2 0 323.396 2.794 20 0 DFADRP CC(C)[NH+]1CCN(C2CC[NH+](Cc3ccc(F)cc3)CC2)CC1 ZINC000270490386 271297383 /nfs/dbraw/zinc/29/73/83/271297383.db2.gz APWCJANMRNPTBB-UHFFFAOYSA-N 2 0 319.468 2.816 20 0 DFADRP CC[C@](NCCCn1ccnc1C)(C(=O)OC)c1ccccc1 ZINC000270583109 271313874 /nfs/dbraw/zinc/31/38/74/271313874.db2.gz CZNVRPCVVXVUMI-GOSISDBHSA-N 2 0 315.417 2.650 20 0 DFADRP CC[NH+](CC)Cc1ccc(C(=O)N2C[C@H](C)[N@H+](C)C[C@@H]2C)cc1 ZINC000338172497 427170013 /nfs/dbraw/zinc/17/00/13/427170013.db2.gz IEXGTNWJEQTSQC-HOTGVXAUSA-N 2 0 317.477 2.693 20 0 DFADRP [NH3+][C@@H]1CCCO[C@@H]1C1CCN(c2cc[nH+]c3ccccc32)CC1 ZINC000333712917 271386987 /nfs/dbraw/zinc/38/69/87/271386987.db2.gz SPFVVCUFTHMBIL-VQIMIIECSA-N 2 0 311.429 2.958 20 0 DFADRP [NH3+][C@H]1CCCO[C@H]1C1CCN(c2cc[nH+]c3ccccc32)CC1 ZINC000333712914 271387128 /nfs/dbraw/zinc/38/71/28/271387128.db2.gz SPFVVCUFTHMBIL-LPHOPBHVSA-N 2 0 311.429 2.958 20 0 DFADRP [NH3+]C[C@H]1CC[C@@H]([NH2+]C2CCC3(CC2)c2ccccc2NC3=O)C1 ZINC000333860906 271397081 /nfs/dbraw/zinc/39/70/81/271397081.db2.gz SASRVUOJGCGTHT-MLBPIDQTSA-N 2 0 313.445 2.536 20 0 DFADRP CC[NH+](CC)Cc1ccc(C(=O)N[C@H]2CCC[N@H+](C)[C@@H]2C)cc1 ZINC000338183124 427177216 /nfs/dbraw/zinc/17/72/16/427177216.db2.gz ACSCFYJUQZPPCB-QAPCUYQASA-N 2 0 317.477 2.741 20 0 DFADRP C[C@H]1C[C@H](CC[NH2+]Cc2nccn2C)C[N@@H+]1Cc1ccccc1 ZINC000338197604 427186920 /nfs/dbraw/zinc/18/69/20/427186920.db2.gz OZBMOKGGPAXBHO-WMZOPIPTSA-N 2 0 312.461 2.810 20 0 DFADRP CCCC[N@H+](C)C[C@@H](C)NC(=O)c1sccc1C[NH+](C)C ZINC000292517219 427193132 /nfs/dbraw/zinc/19/31/32/427193132.db2.gz BJZYHJMTPJWQGD-CYBMUJFWSA-N 2 0 311.495 2.660 20 0 DFADRP Cc1cc(N2CC[C@@H]3OCC[N@@H+](C)[C@@H]3C2)c2cc(F)ccc2[nH+]1 ZINC000284429718 427194122 /nfs/dbraw/zinc/19/41/22/427194122.db2.gz DAJXKDKFCXXNJY-MSOLQXFVSA-N 2 0 315.392 2.592 20 0 DFADRP C[NH+]1CCC(C[NH2+][C@@H](Cc2ccccn2)c2cccnc2)CC1 ZINC000338218606 427198471 /nfs/dbraw/zinc/19/84/71/427198471.db2.gz PVMVOXNDSLGGRV-IBGZPJMESA-N 2 0 310.445 2.692 20 0 DFADRP CC[NH+](CC)Cc1ccc(C(=O)N2C[C@H]([NH+](C)C)[C@@H](C)C2)cc1 ZINC000338225095 427200470 /nfs/dbraw/zinc/20/04/70/427200470.db2.gz BDZCMDQVXGWFNJ-YJBOKZPZSA-N 2 0 317.477 2.551 20 0 DFADRP C[C@@H](CO)C[NH2+][C@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000183132099 427206938 /nfs/dbraw/zinc/20/69/38/427206938.db2.gz GGAVIIJAEMBEMR-BVBHFADKSA-N 2 0 302.462 2.505 20 0 DFADRP C[NH+]1CCC(C)(C[NH2+][C@@H](c2nnc[nH]2)C2CCCCC2)CC1 ZINC000330269137 427210560 /nfs/dbraw/zinc/21/05/60/427210560.db2.gz RSHKXMKHNDLAMG-OAHLLOKOSA-N 2 0 305.470 2.748 20 0 DFADRP C[C@@H](CC(C)(C)C)[NH2+]Cc1ccnc(N2CC[NH+](C)CC2)c1 ZINC000296529799 427212950 /nfs/dbraw/zinc/21/29/50/427212950.db2.gz SMSOOSJMHMGVKP-HNNXBMFYSA-N 2 0 304.482 2.748 20 0 DFADRP CC1=CC[C@@H]([NH2+]Cc2ccc(C(=O)NCC[NH+](C)C)cc2)CC1 ZINC000285398578 427220843 /nfs/dbraw/zinc/22/08/43/427220843.db2.gz XCBXOKAOAWZACL-GOSISDBHSA-N 2 0 315.461 2.566 20 0 DFADRP C[N@H+](CCCN1CC[NH+](C)CC1)Cc1cccc(Cl)c1F ZINC000191004946 427226660 /nfs/dbraw/zinc/22/66/60/427226660.db2.gz JPKMUCHYHDNXPZ-UHFFFAOYSA-N 2 0 313.848 2.548 20 0 DFADRP CCc1ccc2[nH+]ccc(N3CC[C@@H]4OCC[N@H+](C)[C@H]4C3)c2c1 ZINC000296730436 427230852 /nfs/dbraw/zinc/23/08/52/427230852.db2.gz IOXJSTYNTWGEAU-OALUTQOASA-N 2 0 311.429 2.707 20 0 DFADRP C(CO[C@H]1CCCCO1)C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000338284867 427234850 /nfs/dbraw/zinc/23/48/50/427234850.db2.gz KIQHRXUOTCYKOB-NEWSRXKRSA-N 2 0 322.493 2.868 20 0 DFADRP CC[NH+](CC)CCCC1CC[NH+](Cc2ccc(OC)nn2)CC1 ZINC000338295116 427242305 /nfs/dbraw/zinc/24/23/05/427242305.db2.gz CTJHUZCODOIOQA-UHFFFAOYSA-N 2 0 320.481 2.819 20 0 DFADRP C[C@H](O)C[N@H+](C)C1CC[NH+](C[C@H]2CCCC(F)(F)C2)CC1 ZINC000338317237 427254645 /nfs/dbraw/zinc/25/46/45/427254645.db2.gz PLQAYRKABGKQBN-KBPBESRZSA-N 2 0 304.425 2.589 20 0 DFADRP CN(CC(=O)Nc1ccc(Cl)cc1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000285537407 427263678 /nfs/dbraw/zinc/26/36/78/427263678.db2.gz PPKKGNFUSUPHHR-XYPWUTKMSA-N 2 0 321.852 2.836 20 0 DFADRP CN1CCC([NH2+][C@H]2CCC[C@H]2Oc2cc(F)cc(F)c2)CC1 ZINC000285550139 427268930 /nfs/dbraw/zinc/26/89/30/427268930.db2.gz DVVYWAPJORTFKB-DLBZAZTESA-N 2 0 310.388 2.949 20 0 DFADRP CC(C)[N@H+](C)CCC[NH2+][C@@H](C)c1ccccc1-n1ccnn1 ZINC000285551633 427269888 /nfs/dbraw/zinc/26/98/88/427269888.db2.gz GQPGNTZTFZBFAD-HNNXBMFYSA-N 2 0 301.438 2.648 20 0 DFADRP C[N@@H+]1CCC[C@H]1CC[NH2+]C1(Cc2ccc(F)cc2)CCOCC1 ZINC000293283959 427274329 /nfs/dbraw/zinc/27/43/29/427274329.db2.gz OGHYANZUSOAHMP-SFHVURJKSA-N 2 0 320.452 2.991 20 0 DFADRP Cc1ccc(C[NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)c(-c2ccnn2C)c1 ZINC000338434745 427319266 /nfs/dbraw/zinc/31/92/66/427319266.db2.gz FOYKUKDTWWWWGU-MRXNPFEDSA-N 2 0 324.472 2.969 20 0 DFADRP c1ccc(C[NH+]2CC[C@@]3(CC[N@@H+](C[C@H]4CCCO4)C3)C2)cc1 ZINC000285742404 427325248 /nfs/dbraw/zinc/32/52/48/427325248.db2.gz YFVUYPBVACPFBF-RTBURBONSA-N 2 0 300.446 2.763 20 0 DFADRP c1ccc(C[NH+]2CC[C@]3(CC[N@@H+](C[C@H]4CCCO4)C3)C2)cc1 ZINC000285742377 427326032 /nfs/dbraw/zinc/32/60/32/427326032.db2.gz YFVUYPBVACPFBF-MOPGFXCFSA-N 2 0 300.446 2.763 20 0 DFADRP CC[N@@H+]1CCCC[C@@H]1C(=O)Nc1cc(C)cc(C[NH+](C)C)c1 ZINC000270363847 427335525 /nfs/dbraw/zinc/33/55/25/427335525.db2.gz HNFBZLWTIDPGCG-QGZVFWFLSA-N 2 0 303.450 2.870 20 0 DFADRP Fc1ccccc1CO[C@H]1CCC[N@H+](CC2CC[NH2+]CC2)C1 ZINC000261805769 427341860 /nfs/dbraw/zinc/34/18/60/427341860.db2.gz HISJXRYYEAGECP-KRWDZBQOSA-N 2 0 306.425 2.806 20 0 DFADRP CCN(C)c1ccc(CN(C)CC[C@@H]2CCCC[N@@H+]2C)cn1 ZINC000191400951 427341940 /nfs/dbraw/zinc/34/19/40/427341940.db2.gz HFJZJPYVHQPBDJ-KRWDZBQOSA-N 2 0 304.482 2.844 20 0 DFADRP CC[NH+]1CCN(c2ccccc2C[NH2+][C@@H]2CSC2(C)C)CC1 ZINC000338477566 427343050 /nfs/dbraw/zinc/34/30/50/427343050.db2.gz PUBRYTXJGAVFMW-QGZVFWFLSA-N 2 0 319.518 2.812 20 0 DFADRP CC(C)[N@H+](C)Cc1ccccc1CNC(=O)C[C@@H]1CCC[C@H]1[NH3+] ZINC000261855013 427343364 /nfs/dbraw/zinc/34/33/64/427343364.db2.gz WEASFCWXBROTSK-MAUKXSAKSA-N 2 0 317.477 2.661 20 0 DFADRP C[NH+](C)Cc1cc(C[NH2+][C@@H]2[C@@H]3CCO[C@H]3C23CCC3)ccc1F ZINC000270414868 427349974 /nfs/dbraw/zinc/34/99/74/427349974.db2.gz DECFCUROCLCDSE-CGTJXYLNSA-N 2 0 318.436 2.935 20 0 DFADRP C[NH+](C)CCN1CCC([NH2+][C@H]2CCc3c2c(F)ccc3F)CC1 ZINC000269850772 427292224 /nfs/dbraw/zinc/29/22/24/427292224.db2.gz FSRIFOUYLXQVFY-KRWDZBQOSA-N 2 0 323.431 2.568 20 0 DFADRP COc1ccc2c(c1)C[C@H]([NH2+][C@H]1CCN3CCCC[C@H]13)CC2 ZINC000269861968 427294344 /nfs/dbraw/zinc/29/43/44/427294344.db2.gz JKCYFOSVISGCGB-NZSAHSFTSA-N 2 0 300.446 2.769 20 0 DFADRP Cc1ccc(NC(=O)CN(C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)c(C)c1 ZINC000285642202 427295914 /nfs/dbraw/zinc/29/59/14/427295914.db2.gz XUYITCLWPNHHNG-SJPCQFCGSA-N 2 0 315.461 2.799 20 0 DFADRP COCCOc1ccccc1CN1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000293619699 427385436 /nfs/dbraw/zinc/38/54/36/427385436.db2.gz KPZVXOMNEUGSFH-LJQANCHMSA-N 2 0 318.461 2.630 20 0 DFADRP C[NH+](C)CCCC1CC[NH+](C[C@H](O)c2ccccc2F)CC1 ZINC000271047463 427385862 /nfs/dbraw/zinc/38/58/62/427385862.db2.gz OTFRWHDDWLBINO-SFHVURJKSA-N 2 0 308.441 2.913 20 0 DFADRP CCn1nccc1CC[NH2+][C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000338573261 427388512 /nfs/dbraw/zinc/38/85/12/427388512.db2.gz UFBILZKXCUUKSI-HOTGVXAUSA-N 2 0 304.482 2.688 20 0 DFADRP C[N@@H+]1CCC[C@@H]1CC[NH+](Cc1ccccc1)[C@@H](CO)C1CC1 ZINC000271049627 427390090 /nfs/dbraw/zinc/39/00/90/427390090.db2.gz WQBUBOKGMJUEEW-MOPGFXCFSA-N 2 0 302.462 2.744 20 0 DFADRP Fc1ccccc1N1CC[C@H]([NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)C1 ZINC000293678778 427405125 /nfs/dbraw/zinc/40/51/25/427405125.db2.gz NCAJNRYKAWBBKQ-JYJNAYRXSA-N 2 0 303.425 2.621 20 0 DFADRP COc1ccc2c(c1)C[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](C(C)C)C1)CO2 ZINC000297504821 427407333 /nfs/dbraw/zinc/40/73/33/427407333.db2.gz CDVQIGKTYNGREB-DOTOQJQBSA-N 2 0 318.461 2.709 20 0 DFADRP CC[NH+](CC)CCC[C@H](C)NC(=O)C[C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000262332660 427357281 /nfs/dbraw/zinc/35/72/81/427357281.db2.gz SQVRXUOGTGTLMK-IKGGRYGDSA-N 2 0 311.514 2.639 20 0 DFADRP CC[NH+]1CCN([C@@H]2CC[N@H+](Cc3ccc(C(F)F)cc3)C2)CC1 ZINC000183942231 427360571 /nfs/dbraw/zinc/36/05/71/427360571.db2.gz CSUXZZRIPWSEJL-QGZVFWFLSA-N 2 0 323.431 2.836 20 0 DFADRP CC[C@H]([NH2+][C@@H]1CCCN(CCCO)C1)c1ccc(OC)cc1 ZINC000297236361 427367984 /nfs/dbraw/zinc/36/79/84/427367984.db2.gz IFXNSIHMTUSARD-AEFFLSMTSA-N 2 0 306.450 2.583 20 0 DFADRP CCN(Cc1ccn(C)n1)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000271206109 427449819 /nfs/dbraw/zinc/44/98/19/427449819.db2.gz ZUNHDBBKAROPEN-GOSISDBHSA-N 2 0 312.461 2.764 20 0 DFADRP Cc1c[nH+]ccc1N1CCC(C[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000191980328 427457124 /nfs/dbraw/zinc/45/71/24/427457124.db2.gz FBXBHGFVHYBOHX-HZPDHXFCSA-N 2 0 303.450 2.716 20 0 DFADRP C[NH+](C)CCOc1ccc(NC2CC[NH+](C3CC3)CC2)cc1 ZINC000297887841 427478093 /nfs/dbraw/zinc/47/80/93/427478093.db2.gz QUWIPLNYPOVOQL-UHFFFAOYSA-N 2 0 303.450 2.666 20 0 DFADRP C=Cn1cc(CN[C@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)cn1 ZINC000278857327 427478784 /nfs/dbraw/zinc/47/87/84/427478784.db2.gz LRSGNGAANJOXPN-APWZRJJASA-N 2 0 310.445 2.984 20 0 DFADRP CC[NH+](CC)[C@@H]1CCN([C@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000271283177 427483311 /nfs/dbraw/zinc/48/33/11/427483311.db2.gz OLNZFMRSGFFTHX-RBUKOAKNSA-N 2 0 301.478 2.677 20 0 DFADRP O[C@H]1CCC[C@H]1[NH+]1CCC([NH2+]C(C2CCC2)C2CCC2)CC1 ZINC000338783664 427486019 /nfs/dbraw/zinc/48/60/19/427486019.db2.gz GBCFWZSFYRAMDT-MSOLQXFVSA-N 2 0 306.494 2.923 20 0 DFADRP c1ccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@@H]([NH2+]C[C@@H]2CCOC2)C3)cc1 ZINC000278157229 427421297 /nfs/dbraw/zinc/42/12/97/427421297.db2.gz BBSYUOVQJXLIJX-OKYOBFRVSA-N 2 0 300.446 2.808 20 0 DFADRP C[C@H]([NH2+][C@@H]1CCC[C@@H]([NH+](C)C)C1)c1ccc2c(c1)OCC(=O)N2 ZINC000286098070 427422845 /nfs/dbraw/zinc/42/28/45/427422845.db2.gz NBXYNZASPHXSEN-NWANDNLSSA-N 2 0 317.433 2.541 20 0 DFADRP Cc1ccc(F)c(C[N@@H+](C)CC2CC[NH+](C[C@H](C)O)CC2)c1 ZINC000271162484 427423102 /nfs/dbraw/zinc/42/31/02/427423102.db2.gz LUHZMALKUBAGFQ-HNNXBMFYSA-N 2 0 308.441 2.659 20 0 DFADRP CC(C)[C@H]1OCC[C@@H]1C[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000297691292 427428737 /nfs/dbraw/zinc/42/87/37/427428737.db2.gz PWEKEJJNNAKFFK-CRAIPNDOSA-N 2 0 303.450 2.701 20 0 DFADRP CC[N@@H+]1CC[C@H](C[NH2+][C@H]2CCCN(Cc3ccccc3)[C@@H]2C)C1 ZINC000293779567 427433707 /nfs/dbraw/zinc/43/37/07/427433707.db2.gz QBDWMIDZMICMHU-RLLQIKCJSA-N 2 0 315.505 2.971 20 0 DFADRP C[N@H+](C[C@H]1CCSC1)C1CCN(CCc2ccccn2)CC1 ZINC000278412433 427437282 /nfs/dbraw/zinc/43/72/82/427437282.db2.gz HGZQVRNKGLYAMM-MRXNPFEDSA-N 2 0 319.518 2.773 20 0 DFADRP CC[NH+]1CCN(CCC[NH2+][C@H](C)[C@H]2C[C@@H]2c2ccccc2)CC1 ZINC000338689024 427441053 /nfs/dbraw/zinc/44/10/53/427441053.db2.gz BIIIHQYFMQYDJA-MISYRCLQSA-N 2 0 315.505 2.796 20 0 DFADRP Fc1cccnc1O[C@H]1CCCN(CCC[NH+]2CCCCC2)C1 ZINC000278909712 427495329 /nfs/dbraw/zinc/49/53/29/427495329.db2.gz SRRCJJIWGZKDSF-INIZCTEOSA-N 2 0 321.440 2.940 20 0 DFADRP CC1(C)OCC[C@@H]1[NH2+]C[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000293956456 427502973 /nfs/dbraw/zinc/50/29/73/427502973.db2.gz ZQTRZRFYQBUZLA-ROUUACIJSA-N 2 0 302.462 2.708 20 0 DFADRP CC[NH+]1CCN(C[C@H](C)C[NH2+]Cc2ccc3occc3c2)CC1 ZINC000286389874 427513488 /nfs/dbraw/zinc/51/34/88/427513488.db2.gz GXWYYPONSZMHAV-MRXNPFEDSA-N 2 0 315.461 2.796 20 0 DFADRP C[N@H+](Cc1ccccc1)CC(C)(C)C[NH+]1CCC[C@H](O)CC1 ZINC000294023101 427523507 /nfs/dbraw/zinc/52/35/07/427523507.db2.gz NPBCTEKJLYVNGO-SFHVURJKSA-N 2 0 304.478 2.991 20 0 DFADRP C[C@H](C(=O)Nc1cccc(C[NH+](C)C)c1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000263682130 427539731 /nfs/dbraw/zinc/53/97/31/427539731.db2.gz NRSTZVLDFWDABM-QLFBSQMISA-N 2 0 303.450 2.948 20 0 DFADRP CC(C)[NH+]1CCC([N@H+](C)CCC(=O)Nc2ccccc2F)CC1 ZINC000263736237 427555824 /nfs/dbraw/zinc/55/58/24/427555824.db2.gz TZTPDEKXEKZLGT-UHFFFAOYSA-N 2 0 321.440 2.959 20 0 DFADRP C[C@@H]([NH2+]CCC[C@H](C)CO)c1cccc(OCC[NH+](C)C)c1 ZINC000271461120 427547438 /nfs/dbraw/zinc/54/74/38/427547438.db2.gz HLXPDLGVEWKGTC-JKSUJKDBSA-N 2 0 308.466 2.686 20 0 DFADRP C[N@H+](CCN1CCC[C@H]1C[NH+]1CCCC1)Cc1ccccc1 ZINC000279080392 427552389 /nfs/dbraw/zinc/55/23/89/427552389.db2.gz ACGIGNADPKJFEN-IBGZPJMESA-N 2 0 301.478 2.679 20 0 DFADRP CCN(CCCNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)c1ccccc1 ZINC000279253989 427614796 /nfs/dbraw/zinc/61/47/96/427614796.db2.gz UDOCOONZFVPKKL-IRXDYDNUSA-N 2 0 317.477 2.750 20 0 DFADRP Cc1ccnc(C)c1NC(=O)NC[C@@H]1CC[N@@H+](CC(C)C)C1 ZINC000287455907 427615614 /nfs/dbraw/zinc/61/56/14/427615614.db2.gz ILEVSRDFZMBXGO-HNNXBMFYSA-N 2 0 304.438 2.798 20 0 DFADRP CCOC(=O)c1oc2c(c1C)[C@H]([NH2+]C1CCN(C)CC1)CCC2 ZINC000192617709 427573561 /nfs/dbraw/zinc/57/35/61/427573561.db2.gz LVEYQZCMOYYMSP-CQSZACIVSA-N 2 0 320.433 2.826 20 0 DFADRP C[C@@H]1C[C@H](C[NH2+][C@H]2CC(C)(C)Oc3ccc(N)cc32)CC[NH2+]1 ZINC000332311826 427575925 /nfs/dbraw/zinc/57/59/25/427575925.db2.gz GXLXMCPNFOCTQE-IOASZLSFSA-N 2 0 303.450 2.849 20 0 DFADRP CCc1oc(C[NH2+]CCC2CC[NH+](CC)CC2)cc1C(=O)OC ZINC000338942656 427578907 /nfs/dbraw/zinc/57/89/07/427578907.db2.gz UESQTFJMPFSLMT-UHFFFAOYSA-N 2 0 322.449 2.840 20 0 DFADRP COC1(CC[NH+]2CCC(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)CCC1 ZINC000338952820 427583311 /nfs/dbraw/zinc/58/33/11/427583311.db2.gz DZEBNWHFQNQEQE-CALCHBBNSA-N 2 0 324.509 2.767 20 0 DFADRP CC1(C)CCC(C[N@@H+]2CCC[C@H](n3cc(C[NH3+])nn3)C2)CC1 ZINC000332375151 427596340 /nfs/dbraw/zinc/59/63/40/427596340.db2.gz XMUWFLGDQRKWOT-INIZCTEOSA-N 2 0 305.470 2.590 20 0 DFADRP COCc1cc([C@@H](C)[NH2+]CCC[NH+]2CCCC2)ccc1OC ZINC000192747412 427601275 /nfs/dbraw/zinc/60/12/75/427601275.db2.gz DDDIIWUPAROYJS-OAHLLOKOSA-N 2 0 306.450 2.978 20 0 DFADRP c1ccc(C[N@H+]2CCC[C@H]2CNC2CC[NH+](C3CC3)CC2)cc1 ZINC000298507436 427631682 /nfs/dbraw/zinc/63/16/82/427631682.db2.gz QSGQSXDCUXSPCD-FQEVSTJZSA-N 2 0 313.489 2.867 20 0 DFADRP COC(=O)Nc1cccc(C[NH2+][C@@H]2C[C@@H](C)[N@H+](C)C[C@@H]2C)c1 ZINC000287543598 427634385 /nfs/dbraw/zinc/63/43/85/427634385.db2.gz PLTGLAQKEAVMAE-WOSRLPQWSA-N 2 0 305.422 2.683 20 0 DFADRP C[C@@H](NCCc1cncn1C)c1nc(C2CCCCC2)no1 ZINC000298513245 427634616 /nfs/dbraw/zinc/63/46/16/427634616.db2.gz RANYRMRIKHUWCE-GFCCVEGCSA-N 2 0 303.410 2.744 20 0 DFADRP COc1ccccc1O[C@H](C)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000192909635 427635648 /nfs/dbraw/zinc/63/56/48/427635648.db2.gz ARYJQMSTRHGYPJ-WZYMTQMTSA-N 2 0 304.434 2.677 20 0 DFADRP CCC[C@@H]([NH2+]CC1CC[NH+](CCN(C)C)CC1)c1cccnc1 ZINC000185352845 427641143 /nfs/dbraw/zinc/64/11/43/427641143.db2.gz CFRWONVAXRYZFD-LJQANCHMSA-N 2 0 318.509 2.786 20 0 DFADRP O=C(CC[NH2+]C1CCN(c2cc[nH+]cc2)CC1)Nc1ccccc1 ZINC000298559134 427648877 /nfs/dbraw/zinc/64/88/77/427648877.db2.gz VTQFPXUBJAEJDS-UHFFFAOYSA-N 2 0 324.428 2.669 20 0 DFADRP C[C@H](CCc1cccn1C)[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000298568099 427650609 /nfs/dbraw/zinc/65/06/09/427650609.db2.gz WTPHRAFOFBGWHN-MRXNPFEDSA-N 2 0 312.461 3.000 20 0 DFADRP COCc1cc(CNCc2cccc(C[N@H+](C)C(C)C)c2)no1 ZINC000298565922 427651938 /nfs/dbraw/zinc/65/19/38/427651938.db2.gz WOGULDIFPOQIBO-UHFFFAOYSA-N 2 0 317.433 2.951 20 0 DFADRP CCSc1cccc(C[NH2+]CCCN2CC[NH+](C)CC2)c1 ZINC000185452685 427654678 /nfs/dbraw/zinc/65/46/78/427654678.db2.gz SFGHAOGGJNYKQB-UHFFFAOYSA-N 2 0 307.507 2.526 20 0 DFADRP C[C@@H]1C[C@H]([NH2+]CCC(C)(C)CO)CN(Cc2ccccc2)C1 ZINC000294766640 427656973 /nfs/dbraw/zinc/65/69/73/427656973.db2.gz JSBACIGCSLCHAF-AEFFLSMTSA-N 2 0 304.478 2.895 20 0 DFADRP CC(C)(C)c1cn2c(n1)CC[C@H]([NH2+][C@H]1CC[N@@H+]3CCC[C@@H]3C1)C2 ZINC000339068042 427659388 /nfs/dbraw/zinc/65/93/88/427659388.db2.gz JLUJRBNEGDCODF-HRCADAONSA-N 2 0 316.493 2.712 20 0 DFADRP Cc1[nH+]ccc(N2CCC([C@@H]3OCCC[C@H]3[NH3+])CC2)c1Cl ZINC000333630039 427662246 /nfs/dbraw/zinc/66/22/46/427662246.db2.gz GLOJDJDEDQDGKI-CJNGLKHVSA-N 2 0 309.841 2.766 20 0 DFADRP C[C@@H]1CC[C@H]([NH2+]Cc2ccncc2OCC[NH+](C)C)C[C@H]1C ZINC000342427328 272011373 /nfs/dbraw/zinc/01/13/73/272011373.db2.gz MILWBCBADRMQPV-INMHGKMJSA-N 2 0 305.466 2.936 20 0 DFADRP CC[NH+](CC)Cc1cccc(CNCc2cn3cccnc3n2)c1 ZINC000298481289 427625097 /nfs/dbraw/zinc/62/50/97/427625097.db2.gz PKWXNZDFYQQJRC-UHFFFAOYSA-N 2 0 323.444 2.861 20 0 DFADRP C[C@@H](O)C[N@H+](C)C1CCN(C[C@H]2CCC3(CCCCC3)O2)CC1 ZINC000342628324 272033363 /nfs/dbraw/zinc/03/33/63/272033363.db2.gz FXXIRLKNPVVKQD-SJLPKXTDSA-N 2 0 324.509 2.645 20 0 DFADRP CC[N@@H+]1CC[C@@H](N(C)Cc2cn3cc(C)ccc3n2)C[C@H]1C ZINC000342787324 272053792 /nfs/dbraw/zinc/05/37/92/272053792.db2.gz IXTCQRXFZOWYPV-NVXWUHKLSA-N 2 0 300.450 2.947 20 0 DFADRP C[NH+]1CCC(Oc2ccc(C[NH2+]CC[C@@H]3CCOC3)cc2)CC1 ZINC000342819227 272059170 /nfs/dbraw/zinc/05/91/70/272059170.db2.gz AEQZCQAYSHUVLR-QGZVFWFLSA-N 2 0 318.461 2.676 20 0 DFADRP C[C@H]1C[N@H+](C)C[C@@H]1Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000342902705 272065439 /nfs/dbraw/zinc/06/54/39/272065439.db2.gz PFDIXGWKALXHFR-YOEHRIQHSA-N 2 0 305.491 2.597 20 0 DFADRP CCC[C@H](C(=O)NC[C@H](C(C)C)[NH+]1CCC(C)CC1)[NH+](C)C ZINC000343097503 272085226 /nfs/dbraw/zinc/08/52/26/272085226.db2.gz UAUIIXJTXZIDCK-IAGOWNOFSA-N 2 0 311.514 2.589 20 0 DFADRP C[C@H](C[NH2+][C@@H]1CCc2ccc(Cl)cc21)N1CC[NH+](C)CC1 ZINC000343104987 272086868 /nfs/dbraw/zinc/08/68/68/272086868.db2.gz SQKPWNSLSVSTAI-CXAGYDPISA-N 2 0 307.869 2.553 20 0 DFADRP CCSc1cccc(C[NH2+]C[C@@H](C)CN2CC[NH+](C)CC2)c1 ZINC000185516216 427666686 /nfs/dbraw/zinc/66/66/86/427666686.db2.gz WSGGZTARDKVUFM-MRXNPFEDSA-N 2 0 321.534 2.772 20 0 DFADRP C[C@@H]1CC(C)(C)CC[C@H]1[NH2+]Cc1nnc(C2CC[NH2+]CC2)[nH]1 ZINC000333647441 427666852 /nfs/dbraw/zinc/66/68/52/427666852.db2.gz YJCHSELCEHBBRF-TZMCWYRMSA-N 2 0 305.470 2.576 20 0 DFADRP C[C@@H]([NH2+]C[C@H](C)C[NH+]1CCCC1)c1cccc(-n2ccnn2)c1 ZINC000287708803 427676755 /nfs/dbraw/zinc/67/67/55/427676755.db2.gz NZWJNEAVWZNGNS-JKSUJKDBSA-N 2 0 313.449 2.650 20 0 DFADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CCC2(OC)CCC2)[C@@H](C)C1 ZINC000339096380 427673998 /nfs/dbraw/zinc/67/39/98/427673998.db2.gz MITGMCBSHXVLRU-DLBZAZTESA-N 2 0 312.498 2.672 20 0 DFADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CCC2(OC)CCC2)[C@H](C)C1 ZINC000339096381 427674475 /nfs/dbraw/zinc/67/44/75/427674475.db2.gz MITGMCBSHXVLRU-IAGOWNOFSA-N 2 0 312.498 2.672 20 0 DFADRP CC[NH+](CCNC(=O)[C@@H](c1ccccc1)[N@@H+](C)CC)C(C)C ZINC000343778257 272217567 /nfs/dbraw/zinc/21/75/67/272217567.db2.gz KWPQWMMAJOULBJ-QGZVFWFLSA-N 2 0 305.466 2.526 20 0 DFADRP Oc1cc(F)cc(C[NH2+]CC2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000185617431 427680852 /nfs/dbraw/zinc/68/08/52/427680852.db2.gz YMGDBKGJKOZOQN-UHFFFAOYSA-N 2 0 315.392 2.933 20 0 DFADRP CN(CCC[N@H+](C)Cc1ccc(Cl)cc1F)CC[NH+](C)C ZINC000344026381 272250185 /nfs/dbraw/zinc/25/01/85/272250185.db2.gz JLFNSBKQNRDMFO-UHFFFAOYSA-N 2 0 315.864 2.794 20 0 DFADRP OCC1(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)CCC1 ZINC000193282082 427681316 /nfs/dbraw/zinc/68/13/16/427681316.db2.gz IISFLDCSOAELBR-YQQQUEKLSA-N 2 0 314.473 2.934 20 0 DFADRP CC[C@@H]([NH2+]Cc1ccc(OCCC[NH+](C)C)cc1)[C@@H]1CCOC1 ZINC000344607532 272346681 /nfs/dbraw/zinc/34/66/81/272346681.db2.gz OGEODYAZLFIAJI-IEBWSBKVSA-N 2 0 320.477 2.922 20 0 DFADRP CC[C@@H](C(=O)Nc1cc(C[NH+]2CCCC2)ccc1C)[NH+](C)C ZINC000298715664 427684731 /nfs/dbraw/zinc/68/47/31/427684731.db2.gz WLABBBUMEIKNQR-KRWDZBQOSA-N 2 0 303.450 2.870 20 0 DFADRP C[C@H]1C[C@@H]([NH2+]Cc2c[nH]nc2-c2ccccc2F)CC[N@@H+]1C ZINC000344633269 272350309 /nfs/dbraw/zinc/35/03/09/272350309.db2.gz RHTLTDGXRAETLC-JSGCOSHPSA-N 2 0 302.397 2.788 20 0 DFADRP C[C@@H]1C[C@H](N[C@H]2CC[NH+](C)[C@H](C)C2)C[N@H+](Cc2ccccc2)C1 ZINC000344775289 272367009 /nfs/dbraw/zinc/36/70/09/272367009.db2.gz WAQLHRYMFHYBRR-JYBIWHBTSA-N 2 0 315.505 2.969 20 0 DFADRP CC[NH+](CC)CC1CCN(C(=O)C2CC[NH+](C(C)C)CC2)CC1 ZINC000344793756 272370189 /nfs/dbraw/zinc/37/01/89/272370189.db2.gz PGVZCPAFUVFGQM-UHFFFAOYSA-N 2 0 323.525 2.687 20 0 DFADRP C[C@@H]1CC[C@H](C)[NH+]1[C@H]1CCCN(C(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC000345000153 272392433 /nfs/dbraw/zinc/39/24/33/272392433.db2.gz IVHOMMKBHUBHSP-RZFLPCETSA-N 2 0 321.509 2.723 20 0 DFADRP Cn1nccc1[C@@H]1[C@H](C[NH2+]C2Cc3ccccc3C2)CCCN1C ZINC000345035045 272396409 /nfs/dbraw/zinc/39/64/09/272396409.db2.gz OGDAQJOLWAIWCS-PXNSSMCTSA-N 2 0 324.472 2.560 20 0 DFADRP COCCCOc1ccc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000287759586 427686002 /nfs/dbraw/zinc/68/60/02/427686002.db2.gz ZRUQDNBOLIUETI-ROUUACIJSA-N 2 0 318.461 2.818 20 0 DFADRP C[C@H](C[NH2+]Cc1ccnn1-c1ccc(F)cc1)Cn1ccnc1 ZINC000279536950 427696314 /nfs/dbraw/zinc/69/63/14/427696314.db2.gz ABSUJKKIFIDIEX-CQSZACIVSA-N 2 0 313.380 2.634 20 0 DFADRP C[C@@H]([NH2+]C[C@H](O)Cc1ccccc1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185743868 427699162 /nfs/dbraw/zinc/69/91/62/427699162.db2.gz RULDFLQLFMDPOL-IMFGXOCKSA-N 2 0 316.489 2.833 20 0 DFADRP C[N@H+]1C[C@@H]2C[NH+](CCC(=O)Nc3cccc4ccccc43)C[C@@H]2C1 ZINC000193626624 427701775 /nfs/dbraw/zinc/70/17/75/427701775.db2.gz FBRQAWGVLYRJBK-CALCHBBNSA-N 2 0 323.440 2.662 20 0 DFADRP CC[C@@H](C(=O)Nc1ccccc1OCC[NH+](CC)CC)[NH+](C)C ZINC000298786696 427706418 /nfs/dbraw/zinc/70/64/18/427706418.db2.gz DRKSNDHHMZNAJL-INIZCTEOSA-N 2 0 321.465 2.686 20 0 DFADRP C[C@@H](NC(=O)C[NH+]1CCC(CC[NH+](C)C)CC1)c1cccs1 ZINC000298835230 427715434 /nfs/dbraw/zinc/71/54/34/427715434.db2.gz BKKUEHNCRBWMOH-CQSZACIVSA-N 2 0 323.506 2.589 20 0 DFADRP CSC1(C[NH2+]C2CCN(Cc3cccnc3)CC2)CCC1 ZINC000193805290 427715644 /nfs/dbraw/zinc/71/56/44/427715644.db2.gz WGSSCPOEDBKIKL-UHFFFAOYSA-N 2 0 305.491 2.921 20 0 DFADRP COC(=O)CCC[C@@H]1CCC[C@@H]([NH2+]CC2=CC[N@H+](C)CC2)C1 ZINC000339339233 427756873 /nfs/dbraw/zinc/75/68/73/427756873.db2.gz DZLWNOULQWAEIB-DOTOQJQBSA-N 2 0 308.466 2.740 20 0 DFADRP CC[NH+](CC)CC(=O)NC[C@@H](c1ccsc1)[NH+](CC)CC ZINC000299234864 427762404 /nfs/dbraw/zinc/76/24/04/427762404.db2.gz GOVPZUZGSLUIID-HNNXBMFYSA-N 2 0 311.495 2.589 20 0 DFADRP CC(C)[C@@H](C[NH2+]CCCN1CC[NH+](C)CC1)c1ccccc1 ZINC000336861584 427765201 /nfs/dbraw/zinc/76/52/01/427765201.db2.gz CVFHHYWNGMNKCN-LJQANCHMSA-N 2 0 303.494 2.653 20 0 DFADRP CC1=C[C@H](C)C[C@H](C[NH2+]C[C@H](C(C)C)N2CC[NH+](C)CC2)C1 ZINC000336865928 427766727 /nfs/dbraw/zinc/76/67/27/427766727.db2.gz UXLMOJOKIBYECS-YTQUADARSA-N 2 0 307.526 2.840 20 0 DFADRP Cc1ccc2cc(C[NH+]3CCC(OCCC[NH3+])CC3)ccc2n1 ZINC000336872220 427768912 /nfs/dbraw/zinc/76/89/12/427768912.db2.gz LPHRMYWFCXUYDQ-UHFFFAOYSA-N 2 0 313.445 2.873 20 0 DFADRP CC[C@@H](C)C[N@H+](Cc1nccn1CC)[C@@H]1CC12CC[NH2+]CC2 ZINC000339407386 427769191 /nfs/dbraw/zinc/76/91/91/427769191.db2.gz KFJBOIZYBYKFOF-HZPDHXFCSA-N 2 0 304.482 2.893 20 0 DFADRP c1ccc(C[N@H+]2C[C@@H](C[NH2+]CC3CC3)C3(C2)CCOCC3)cc1 ZINC000339487478 427782866 /nfs/dbraw/zinc/78/28/66/427782866.db2.gz HIRKHMITDTYORB-LJQANCHMSA-N 2 0 314.473 2.915 20 0 DFADRP C[C@H]([NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]12)[C@H]1CCOC1 ZINC000336656063 427746457 /nfs/dbraw/zinc/74/64/57/427746457.db2.gz KQHWMTLLADATQW-ABHMUUKNSA-N 2 0 314.473 2.912 20 0 DFADRP CC[N@@H+]1CC[C@H](C[NH2+][C@H]2CCCN(Cc3ccccc3)C2)C1 ZINC000336694067 427747596 /nfs/dbraw/zinc/74/75/96/427747596.db2.gz YNDVWOWOSZUSLX-MOPGFXCFSA-N 2 0 301.478 2.582 20 0 DFADRP CC(C)SCC[NH+]1CCC(OCC[NH+]2CCCC2)CC1 ZINC000336829664 427754273 /nfs/dbraw/zinc/75/42/73/427754273.db2.gz INACOQLESDOSLU-UHFFFAOYSA-N 2 0 300.512 2.705 20 0 DFADRP Fc1ccc2c(c1)[nH+]ccc2N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000301476889 427798970 /nfs/dbraw/zinc/79/89/70/427798970.db2.gz WVBXDRCEMREZFW-AWEZNQCLSA-N 2 0 315.392 2.532 20 0 DFADRP Cc1cccc2c(N3CC[NH+](C[C@H]4CCOC4)CC3)cc[nH+]c12 ZINC000301662578 427813450 /nfs/dbraw/zinc/81/34/50/427813450.db2.gz KABZLENIPWCTFD-MRXNPFEDSA-N 2 0 311.429 2.702 20 0 DFADRP CC(C)[NH+]1CCN(CCC[N@@H+]2CC(C)(C)[C@H]3CCC[C@H]32)CC1 ZINC000339714166 427816757 /nfs/dbraw/zinc/81/67/57/427816757.db2.gz AYBRYUPFWRXOCX-ZWKOTPCHSA-N 2 0 307.526 2.913 20 0 DFADRP Cc1ccc2[nH]c(C[NH2+]CCCC[NH+]3CCOCC3)cc2c1C ZINC000349633902 427833877 /nfs/dbraw/zinc/83/38/77/427833877.db2.gz SYSWVEADQDCRRJ-UHFFFAOYSA-N 2 0 315.461 2.987 20 0 DFADRP C[C@@H]1CCC[C@@](CNC(=O)c2ccc3c[nH+]cn3c2)([NH+](C)C)C1 ZINC000339816570 427835585 /nfs/dbraw/zinc/83/55/85/427835585.db2.gz SNFSTUXURWRXBI-RDTXWAMCSA-N 2 0 314.433 2.575 20 0 DFADRP CC[NH+](CC)[C@@H](C(=O)NCC[N@H+](CC)C(C)C)c1ccccc1 ZINC000355648421 427836021 /nfs/dbraw/zinc/83/60/21/427836021.db2.gz CXVMTXNSWAFEIW-GOSISDBHSA-N 2 0 319.493 2.916 20 0 DFADRP CC[NH+](CC)CCOCC[NH2+][C@H]1CCc2c1c(F)ccc2F ZINC000349686860 427843089 /nfs/dbraw/zinc/84/30/89/427843089.db2.gz YBKPWBZAFHYJBI-INIZCTEOSA-N 2 0 312.404 2.900 20 0 DFADRP CC(C)OC[C@H](C)[NH2+]C[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000337325027 427846900 /nfs/dbraw/zinc/84/69/00/427846900.db2.gz BQRCQGFCGWACOQ-HKUYNNGSSA-N 2 0 304.478 2.954 20 0 DFADRP CC[C@@H]1CN(c2nc(C)cc3ccccc32)CC[N@@H+]1C[C@H](C)O ZINC000302041568 427848635 /nfs/dbraw/zinc/84/86/35/427848635.db2.gz LPPFXVVWGHZTOD-DOTOQJQBSA-N 2 0 313.445 2.825 20 0 DFADRP C[C@@H]([NH2+]CCCC[N@@H+]1CCC[C@H](C)C1)C(C)(C)n1cncn1 ZINC000340471092 427857092 /nfs/dbraw/zinc/85/70/92/427857092.db2.gz BQSJXMUZVRWATH-JKSUJKDBSA-N 2 0 307.486 2.503 20 0 DFADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@H]([NH+]2[C@@H](C)CC[C@@H]2C)C1 ZINC000340500308 427865432 /nfs/dbraw/zinc/86/54/32/427865432.db2.gz RIAMAXVVJPZEGB-XLAORIBOSA-N 2 0 321.509 2.725 20 0 DFADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)C[C@H](C)C(C)C ZINC000340515003 427870518 /nfs/dbraw/zinc/87/05/18/427870518.db2.gz LIKZRRGGANXQKJ-DLBZAZTESA-N 2 0 311.514 2.543 20 0 DFADRP C[C@@H](CCN1CC[NH+](C)CC1)[NH2+]Cc1cnc(C2CCC2)s1 ZINC000349827855 427872957 /nfs/dbraw/zinc/87/29/57/427872957.db2.gz KJCUIPVQGDPHMZ-AWEZNQCLSA-N 2 0 322.522 2.526 20 0 DFADRP COc1ccccc1OCCN1CCC2(CCC[N@@H+]2C)CC1 ZINC000359517870 427884944 /nfs/dbraw/zinc/88/49/44/427884944.db2.gz XZBHPMCUVHJNGV-UHFFFAOYSA-N 2 0 304.434 2.634 20 0 DFADRP C[C@H](CCNC(=O)[C@H]1CCC[N@@H+]1C1CCCC1)[NH+]1CCCCC1 ZINC000345758230 427892933 /nfs/dbraw/zinc/89/29/33/427892933.db2.gz XLWQXRYOEXMOHY-SJLPKXTDSA-N 2 0 321.509 2.774 20 0 DFADRP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]C[C@@H](c1ccccc1Cl)N(C)C ZINC000359551201 427904087 /nfs/dbraw/zinc/90/40/87/427904087.db2.gz JRDUARLANNMISX-COXVUDFISA-N 2 0 309.885 2.873 20 0 DFADRP CC[C@H](C(=O)NCC(C)(C)[N@@H+]1CCC[C@H](C)C1)[NH+](CC)CC ZINC000345808982 427916503 /nfs/dbraw/zinc/91/65/03/427916503.db2.gz SYLCJXNFENRSID-JKSUJKDBSA-N 2 0 311.514 2.734 20 0 DFADRP C[N@@H+]1CCC[C@@H](CNC(N)=[NH2+])[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000304265040 427922525 /nfs/dbraw/zinc/92/25/25/427922525.db2.gz VBCAVCDSFPUEQS-AAEUAGOBSA-N 2 0 314.355 2.571 20 0 DFADRP COc1cc2c(c(C[N@@H+]3C[C@@H]4CCC[C@H]([NH3+])[C@@H]4C3)c1)O[C@H](C)C2 ZINC000346848950 272694111 /nfs/dbraw/zinc/69/41/11/272694111.db2.gz FTICCJXVLFVAMK-OBQMCUGOSA-N 2 0 316.445 2.578 20 0 DFADRP CN1CC[C@H]([NH2+]CC2CC[NH+](C)CC2)C[C@@H]1c1ccccc1 ZINC000340228537 427960179 /nfs/dbraw/zinc/96/01/79/427960179.db2.gz JZEXVYXVZUZQJU-RBUKOAKNSA-N 2 0 301.478 2.753 20 0 DFADRP CC[C@@H](C(=O)N(CC)CCC[NH+](C)C)[N@H+](C)Cc1ccccc1 ZINC000355950587 427961194 /nfs/dbraw/zinc/96/11/94/427961194.db2.gz DQABWDQFLZKDRL-SFHVURJKSA-N 2 0 319.493 2.697 20 0 DFADRP CC[C@H](CN[C@H]1CC[N@H+](C)[C@@H](C)C1)[NH+]1CCc2ccccc2C1 ZINC000359660994 427961357 /nfs/dbraw/zinc/96/13/57/427961357.db2.gz DXIXTGYZANKKGE-FFZOFVMBSA-N 2 0 315.505 2.896 20 0 DFADRP C[C@@H]([NH2+][C@@H](C)CN1CC[NH+](C)CC1)c1cccc(C2CC2)c1 ZINC000340236290 427962600 /nfs/dbraw/zinc/96/26/00/427962600.db2.gz KENFZQSKTGGYNH-JKSUJKDBSA-N 2 0 301.478 2.851 20 0 DFADRP CC[N@@H+]1C[C@H](C)[C@H](N[C@@H](C[NH+]2CCCC2)c2ccccc2)C1 ZINC000359662555 427963960 /nfs/dbraw/zinc/96/39/60/427963960.db2.gz RMBKJPPBADGNDT-UHOSZYNNSA-N 2 0 301.478 2.753 20 0 DFADRP CCC(C)(C)[NH2+][C@@H](C)C(=O)N(CC[NH+](C)C)Cc1ccccc1 ZINC000347025731 272713484 /nfs/dbraw/zinc/71/34/84/272713484.db2.gz OKQKYEMEYDYGGN-INIZCTEOSA-N 2 0 319.493 2.744 20 0 DFADRP C[C@@H]1[C@H]([NH2+]CC2=CC[N@H+](C)CC2)CCCN1Cc1ccccc1 ZINC000340314545 427983862 /nfs/dbraw/zinc/98/38/62/427983862.db2.gz DVJCMEYLKCNNAL-YLJYHZDGSA-N 2 0 313.489 2.891 20 0 DFADRP c1nc([C@@H]2CCCO2)sc1CNCc1cnc2n1CCCC2 ZINC000376727743 427988305 /nfs/dbraw/zinc/98/83/05/427988305.db2.gz GDPSVKDKCQRYIX-AWEZNQCLSA-N 2 0 318.446 2.817 20 0 DFADRP COc1cc2[nH+]ccc(N3C[C@@H](C)[N@H+](C)C[C@@H]3C)c2cc1OC ZINC000413221356 427996391 /nfs/dbraw/zinc/99/63/91/427996391.db2.gz SZLKNLSHTPLFOI-OLZOCXBDSA-N 2 0 315.417 2.781 20 0 DFADRP CCNC(=O)C(C)(C)C[NH2+][C@@H]1CCN(C)[C@@H](c2ccccc2)C1 ZINC000340335206 427989594 /nfs/dbraw/zinc/98/95/94/427989594.db2.gz VGWJCPMOUZSAAO-IAGOWNOFSA-N 2 0 317.477 2.574 20 0 DFADRP COC(=O)c1ccc(CN(C)C2CC[NH+](C(C)C)CC2)c(F)c1 ZINC000340143513 427937077 /nfs/dbraw/zinc/93/70/77/427937077.db2.gz JPZMNCDDYYTQES-UHFFFAOYSA-N 2 0 322.424 2.917 20 0 DFADRP C[C@@H](CCCC(F)(F)F)[NH2+]CC1CC[NH+](CCN(C)C)CC1 ZINC000359631699 427945710 /nfs/dbraw/zinc/94/57/10/427945710.db2.gz AYQIOUPEJZEMMB-AWEZNQCLSA-N 2 0 323.447 2.971 20 0 DFADRP CC[N@@H+]1CC[C@H](CN[C@@H]2CC[NH+](C)[C@H](c3ccccc3)C2)C1 ZINC000340188864 427950099 /nfs/dbraw/zinc/95/00/99/427950099.db2.gz QNRKMVFADNEHJW-QRQLOZEOSA-N 2 0 301.478 2.753 20 0 DFADRP Cn1ccnc1C[C@H]1CCC[N@H+](CC[C@@H]2CCCC[NH+]2C)C1 ZINC000340919360 427953759 /nfs/dbraw/zinc/95/37/59/427953759.db2.gz YFAWJYLKQZRYMD-SJORKVTESA-N 2 0 304.482 2.549 20 0 DFADRP CC(C)[C@@H]1C[C@@H]([NH2+]Cc2cccnc2-n2ccnc2)CS1 ZINC000377015409 428041914 /nfs/dbraw/zinc/04/19/14/428041914.db2.gz XHWSCADTVZKWHW-CABCVRRESA-N 2 0 302.447 2.887 20 0 DFADRP CC[C@@H]1C[N@H+](Cc2cn(-c3cc[nH+]cc3)nc2C)CCS1 ZINC000346158825 428042780 /nfs/dbraw/zinc/04/27/80/428042780.db2.gz ANMBDAJGIYFWLX-MRXNPFEDSA-N 2 0 302.447 2.903 20 0 DFADRP C[C@@H]1C[N@@H+]2CCCC[C@@H]2CN1CC[NH+](C)Cc1ccc(F)cc1 ZINC000359850525 428046102 /nfs/dbraw/zinc/04/61/02/428046102.db2.gz AUHNPRRQXGMPGH-VQIMIIECSA-N 2 0 319.468 2.816 20 0 DFADRP C([NH2+][C@H]1[C@H]2CCO[C@H]2C12CCCC2)C1CC[NH+](C2CC2)CC1 ZINC000369729572 428046890 /nfs/dbraw/zinc/04/68/90/428046890.db2.gz LVOJQRWHSJLYJC-FGTMMUONSA-N 2 0 304.478 2.798 20 0 DFADRP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+](C)CCc1nccs1 ZINC000346186521 428058572 /nfs/dbraw/zinc/05/85/72/428058572.db2.gz ZGNUWWAPGNXOIW-UHFFFAOYSA-N 2 0 313.430 2.707 20 0 DFADRP CC[NH+](CC)CCCC1CC[NH+]([C@@H]2CCN(C3CC3)C2=O)CC1 ZINC000359882040 428059013 /nfs/dbraw/zinc/05/90/13/428059013.db2.gz XVEGTYNWRBYTMU-GOSISDBHSA-N 2 0 321.509 2.584 20 0 DFADRP CC(C)[C@H](C(=O)N1CC[C@@H]([NH+]2CCCCC2)C1)[NH+]1CCCCC1 ZINC000341188181 428005803 /nfs/dbraw/zinc/00/58/03/428005803.db2.gz LLJPWQMOFIHSRS-QZTJIDSGSA-N 2 0 321.509 2.584 20 0 DFADRP CC[N@@H+]1CC[C@@H]([NH2+]Cc2cccc(-c3nccn3C)c2)[C@@H](C)C1 ZINC000369840308 428073982 /nfs/dbraw/zinc/07/39/82/428073982.db2.gz KWNRETHZIYWRBT-MAUKXSAKSA-N 3 0 312.461 2.907 20 0 DFADRP CCCCNC(=[NH2+])NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000369878802 428082078 /nfs/dbraw/zinc/08/20/78/428082078.db2.gz UUYWENURYLAXHY-UHFFFAOYSA-N 2 0 320.403 2.706 20 0 DFADRP C1C[N@@H+]2CCCC[C@@H]2[C@@H]1NC1CC[NH+](C2CCCCC2)CC1 ZINC000359940924 428085329 /nfs/dbraw/zinc/08/53/29/428085329.db2.gz IZOZHGRKQZQVEM-RTBURBONSA-N 2 0 305.510 3.000 20 0 DFADRP C1C[N@@H+]2CCCC[C@H]2[C@H]1NC1CC[NH+](C2CCCCC2)CC1 ZINC000359940920 428086268 /nfs/dbraw/zinc/08/62/68/428086268.db2.gz IZOZHGRKQZQVEM-OALUTQOASA-N 2 0 305.510 3.000 20 0 DFADRP CCC[C@H]([NH2+]C(C)C)C(=O)N[C@@H](C)[C@H](c1ccccc1)[NH+](C)C ZINC000356248778 428086936 /nfs/dbraw/zinc/08/69/36/428086936.db2.gz FAVNGVCXEYYYKD-RYQLBKOJSA-N 2 0 319.493 2.961 20 0 DFADRP CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)[C@@H]1CCC[C@H]([NH3+])C1 ZINC000346288097 428109171 /nfs/dbraw/zinc/10/91/71/428109171.db2.gz PBTHXAWPCZHUQN-MSOLQXFVSA-N 2 0 317.477 2.614 20 0 DFADRP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+]1C1CCCCC1)C(C)(C)n1cncn1 ZINC000377394063 428120097 /nfs/dbraw/zinc/12/00/97/428120097.db2.gz SRVCSUKEHKLKLK-RDJZCZTQSA-N 2 0 319.497 2.788 20 0 DFADRP CSc1ccc(C[N@H+](C)CCCN2CC[NH+](C)CC2)s1 ZINC000356341721 428134616 /nfs/dbraw/zinc/13/46/16/428134616.db2.gz PVQSFXBVFQOZQT-UHFFFAOYSA-N 2 0 313.536 2.539 20 0 DFADRP Cc1cccn2c(C[N@H+](CCC[NH3+])CC3CCCC3)cnc12 ZINC000352534078 428138110 /nfs/dbraw/zinc/13/81/10/428138110.db2.gz CVKFIJAMVFXVSV-UHFFFAOYSA-N 2 0 300.450 2.984 20 0 DFADRP [NH3+]CC[C@H]1CCCCN1Cc1cnn(Cc2ccc(F)cc2)c1 ZINC000352546331 428144093 /nfs/dbraw/zinc/14/40/93/428144093.db2.gz TVDBRYMDLBHAHE-GOSISDBHSA-N 2 0 316.424 2.774 20 0 DFADRP CCCNC(=[NH2+])NC[C@H]1CC[N@H+](C)[C@H]1c1cccc(Cl)c1 ZINC000370167565 428150176 /nfs/dbraw/zinc/15/01/76/428150176.db2.gz QZNNQKSOFIBSSC-HIFRSBDPSA-N 2 0 308.857 2.857 20 0 DFADRP C[N@@H+]1CC[C@@H](CNC(=[NH2+])Nc2ccccn2)[C@H]1c1cccs1 ZINC000370164695 428150267 /nfs/dbraw/zinc/15/02/67/428150267.db2.gz XYOCDCFMJRRXLR-WFASDCNBSA-N 2 0 315.446 2.772 20 0 DFADRP Cc1ccc(C[NH+](C)C)cc1NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000346374800 428147786 /nfs/dbraw/zinc/14/77/86/428147786.db2.gz BMJCPZGBDREXHA-HOCLYGCPSA-N 2 0 303.450 2.725 20 0 DFADRP Cc1cnn(C)c1CN(C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000377545364 428155898 /nfs/dbraw/zinc/15/58/98/428155898.db2.gz XKWUACCHTNRQDT-GOSISDBHSA-N 2 0 312.461 2.682 20 0 DFADRP CCC[NH+](CCC)CCCC(=O)N1CCC([NH+]2CCCC2)CC1 ZINC000377591445 428165939 /nfs/dbraw/zinc/16/59/39/428165939.db2.gz QWWCVHSKNNQYTC-UHFFFAOYSA-N 2 0 323.525 2.975 20 0 DFADRP CC[C@@H](C(=O)Nc1ccc(C[NH+](C)C)cc1F)[NH+](CC)CC ZINC000413941659 428170409 /nfs/dbraw/zinc/17/04/09/428170409.db2.gz VDPAPKBWYHIBQZ-INIZCTEOSA-N 2 0 309.429 2.946 20 0 DFADRP Cc1ccc(C[N@H+]2CCC[C@@H](CN3CC[NH+](C)CC3)C2)s1 ZINC000377630773 428177331 /nfs/dbraw/zinc/17/73/31/428177331.db2.gz SVBUOWSCUXSSFI-INIZCTEOSA-N 2 0 307.507 2.516 20 0 DFADRP CCCCOCC[NH+]1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000356443879 428182214 /nfs/dbraw/zinc/18/22/14/428182214.db2.gz AKNRUOXIXHOEMU-UHFFFAOYSA-N 2 0 312.498 2.628 20 0 DFADRP C[C@@H]([NH2+]Cc1ccccc1C[N@@H+]1CCC[C@H]1CO)[C@H]1C[C@H]1C ZINC000414110809 428208707 /nfs/dbraw/zinc/20/87/07/428208707.db2.gz ORJICROOVAIBDW-LTDCPUDJSA-N 2 0 302.462 2.777 20 0 DFADRP COc1ccc(C[C@@H](C)[NH2+]C[C@@H]2CCC[N@@H+](C(C)C)C2)cn1 ZINC000414124208 428210698 /nfs/dbraw/zinc/21/06/98/428210698.db2.gz PFNULSHGRKVQOZ-WBVHZDCISA-N 2 0 305.466 2.731 20 0 DFADRP c1ccc(C[NH+]2CC[C@@H]3C[N@@H+](CC[C@H]4CCOC4)C[C@H]3C2)cc1 ZINC000356517024 428213420 /nfs/dbraw/zinc/21/34/20/428213420.db2.gz GAPILWASZNHKMN-XUVXKRRUSA-N 2 0 314.473 2.867 20 0 DFADRP COc1ccc([C@@H](C)[NH2+][C@H](C)CCN2CC[NH+](C)CC2)c(C)c1 ZINC000414132199 428213852 /nfs/dbraw/zinc/21/38/52/428213852.db2.gz MGAKGRJRQNANIK-IAGOWNOFSA-N 2 0 319.493 2.680 20 0 DFADRP C[N@H+](CCC1CC1)CCN1CC[NH+](Cc2ccccc2)CC1 ZINC000352706086 428214040 /nfs/dbraw/zinc/21/40/40/428214040.db2.gz ULXKPCOSLASPNQ-UHFFFAOYSA-N 2 0 301.478 2.536 20 0 DFADRP C[C@H](O)C[N@@H+]1CC(C)(C)[C@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000414140135 428218099 /nfs/dbraw/zinc/21/80/99/428218099.db2.gz IUPLBFFCHPWLNZ-QFBILLFUSA-N 2 0 316.489 2.990 20 0 DFADRP Cc1ccc(C[C@@H]([NH2+]C[C@@H](O)C[NH+]2CCCC2)C(C)C)cc1 ZINC000360244102 428219166 /nfs/dbraw/zinc/21/91/66/428219166.db2.gz ZJOYJXWSZOXICK-RTBURBONSA-N 2 0 304.478 2.608 20 0 DFADRP CC[C@@H]([NH2+]Cc1ccncc1OCC[NH+](C)C)[C@@H]1CC1(C)C ZINC000414165584 428222542 /nfs/dbraw/zinc/22/25/42/428222542.db2.gz PXEKOQBPJNOMDG-JKSUJKDBSA-N 2 0 305.466 2.936 20 0 DFADRP CCCC[N@H+](C)CC1CCN(C(=O)[C@H]2CC[NH2+][C@@H]2C(C)C)CC1 ZINC000377763274 428223426 /nfs/dbraw/zinc/22/34/26/428223426.db2.gz VMEPTZNSTAILQH-ZWKOTPCHSA-N 2 0 323.525 2.591 20 0 DFADRP Cn1nccc1[C@@H]1CCC[C@H]([NH2+]CC[C@H]2CCC[N@H+](C)C2)C1 ZINC000414172743 428225500 /nfs/dbraw/zinc/22/55/00/428225500.db2.gz FGCFVWINFCKNPW-ZACQAIPSSA-N 2 0 304.482 2.768 20 0 DFADRP C[C@H]1C[C@@H](C(=O)N[C@H]2CC[NH+](C3CCCCCC3)C2)CC[N@@H+]1C ZINC000377799347 428230321 /nfs/dbraw/zinc/23/03/21/428230321.db2.gz TWMRXZWIKUUCOI-ULQDDVLXSA-N 2 0 321.509 2.630 20 0 DFADRP COC[C@H]([NH2+]C1CC[NH+]([C@@H]2CCCC[C@@H]2C)CC1)[C@@H]1CCCO1 ZINC000370533072 428234035 /nfs/dbraw/zinc/23/40/35/428234035.db2.gz IKRYPXQIMJFRMS-KANFNMMFSA-N 2 0 324.509 2.813 20 0 DFADRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H]2CS[C@@H](C)C2)[C@@H](C)C1 ZINC000414230407 428237918 /nfs/dbraw/zinc/23/79/18/428237918.db2.gz NXAYREFTAUVLKZ-VGWMRTNUSA-N 2 0 300.512 2.607 20 0 DFADRP COc1ccc(C[C@H](C)[NH2+]CCC[NH+]2CCC(C)CC2)cn1 ZINC000414063816 428197450 /nfs/dbraw/zinc/19/74/50/428197450.db2.gz MXRZCUYUEWEVHD-INIZCTEOSA-N 2 0 305.466 2.733 20 0 DFADRP CC1(C)C[NH+](C/C=C/C[N@@H+]2CCCOC(C)(C)C2)CCCO1 ZINC000377693083 428199029 /nfs/dbraw/zinc/19/90/29/428199029.db2.gz CFDHABDJBUSEFV-AATRIKPKSA-N 2 0 310.482 2.544 20 0 DFADRP CC(C)[NH+]1CCC([NH2+][C@@H]2CCN(c3ccc(F)cc3)C2)CC1 ZINC000414349134 428265398 /nfs/dbraw/zinc/26/53/98/428265398.db2.gz OVRBQUJZJLOIFW-QGZVFWFLSA-N 2 0 305.441 2.867 20 0 DFADRP C[C@H]1C[C@H](C[NH3+])C[N@@H+]1Cc1c[nH]nc1-c1cccc(Cl)c1 ZINC000346671474 428266251 /nfs/dbraw/zinc/26/62/51/428266251.db2.gz JTHXTTHLNTYOEL-NWDGAFQWSA-N 2 0 304.825 2.899 20 0 DFADRP CCOc1cc(C[NH+]2CCC(C[NH3+])CC2)cc(Cl)c1OC ZINC000346680563 428270567 /nfs/dbraw/zinc/27/05/67/428270567.db2.gz BPVLKQGNGHOSAL-UHFFFAOYSA-N 2 0 312.841 2.918 20 0 DFADRP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]CCCCOCCc1ccccc1 ZINC000360440391 428298455 /nfs/dbraw/zinc/29/84/55/428298455.db2.gz BEIFIAOQHFEYFQ-IEBWSBKVSA-N 2 0 304.478 2.956 20 0 DFADRP CC[N@@H+]1CCc2c(cccc2NC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC000370686083 428272410 /nfs/dbraw/zinc/27/24/10/428272410.db2.gz NUFAWOHYHSSJJB-QGZVFWFLSA-N 2 0 303.450 2.589 20 0 DFADRP C[N@@H+]1CCN(Cc2cnc3ccccn23)C[C@H]1Cc1ccccc1 ZINC000341989982 428272424 /nfs/dbraw/zinc/27/24/24/428272424.db2.gz JUCWMQQWTAOIPH-GOSISDBHSA-N 2 0 320.440 2.693 20 0 DFADRP Cc1ccc(C[N@@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@H](C)C2)cc1C ZINC000370695411 428275392 /nfs/dbraw/zinc/27/53/92/428275392.db2.gz AFFIDKZXOIEKPC-QUCCMNQESA-N 2 0 315.505 2.761 20 0 DFADRP COc1ccc(C[N@@H+]2C[C@@H](C[NH3+])C[C@@H]2C)cc1OCC(C)C ZINC000346693594 428277007 /nfs/dbraw/zinc/27/70/07/428277007.db2.gz OEMUNAWQAVXPOA-GOEBONIOSA-N 2 0 306.450 2.899 20 0 DFADRP C[C@H]([NH3+])[C@H]1CC[N@H+](Cc2c[nH]nc2-c2cccc(Cl)c2)C1 ZINC000346693215 428277088 /nfs/dbraw/zinc/27/70/88/428277088.db2.gz LNCOTCCAZSOYLW-AAEUAGOBSA-N 2 0 304.825 2.899 20 0 DFADRP Cc1cccc(C[N@@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@H](C)C2)c1C ZINC000370707026 428277627 /nfs/dbraw/zinc/27/76/27/428277627.db2.gz NOCYSFVQCWNMTC-XLIONFOSSA-N 2 0 315.505 2.761 20 0 DFADRP Cc1ccc(CN(C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)nn1 ZINC000414388388 428281206 /nfs/dbraw/zinc/28/12/06/428281206.db2.gz LSQLQWLILONRDZ-SFHVURJKSA-N 2 0 310.445 2.739 20 0 DFADRP CC[C@H](C(=O)N[C@H](C)C[NH+](C)C(C)C)[N@H+](C)Cc1ccccc1 ZINC000356740894 428290286 /nfs/dbraw/zinc/29/02/86/428290286.db2.gz LEBAEJVFEXCJNU-SJLPKXTDSA-N 2 0 319.493 2.742 20 0 DFADRP [NH3+][C@@H]1CCC[C@H]2C[N@H+](CCCOCCc3ccccc3)C[C@H]21 ZINC000342076569 428292571 /nfs/dbraw/zinc/29/25/71/428292571.db2.gz AKEJWFZNOVEKIK-IPMKNSEASA-N 2 0 302.462 2.695 20 0 DFADRP CCc1ncc(C[NH2+]CCCC[NH+]2C[C@@H](C)C[C@H](C)C2)cn1 ZINC000414280759 428249726 /nfs/dbraw/zinc/24/97/26/428249726.db2.gz DTGHCWAZRUFHFW-HOTGVXAUSA-N 2 0 304.482 2.887 20 0 DFADRP CCCC[N@H+](C)C[C@@H](C)NC(=O)[C@@H]1CCC[NH+]1C1CCCC1 ZINC000356607746 428252522 /nfs/dbraw/zinc/25/25/22/428252522.db2.gz YEJXJUWBDXVYJM-WBVHZDCISA-N 2 0 309.498 2.630 20 0 DFADRP C[C@H]([NH2+][C@H]1CCN(C2CC[NH+](C)CC2)C1)c1cc(F)ccc1F ZINC000370624820 428256791 /nfs/dbraw/zinc/25/67/91/428256791.db2.gz QBDLXNOYFMJQOT-ZFWWWQNUSA-N 2 0 323.431 2.784 20 0 DFADRP C[NH+]1CCC(N2CC[C@H]([NH2+][C@H]3CCCc4ccccc43)C2)CC1 ZINC000370637902 428259645 /nfs/dbraw/zinc/25/96/45/428259645.db2.gz VVEODUGCJMZBHO-PXNSSMCTSA-N 2 0 313.489 2.822 20 0 DFADRP C[NH2+]CCC1CC[NH+](Cc2ccccc2OCCOC)CC1 ZINC000346657888 428261494 /nfs/dbraw/zinc/26/14/94/428261494.db2.gz HERXKGPHVDTICR-UHFFFAOYSA-N 2 0 306.450 2.533 20 0 DFADRP CC[C@]1(C(=O)NCc2ccccc2C[N@H+](C)C(C)C)CC[NH2+]C1 ZINC000370843095 428306080 /nfs/dbraw/zinc/30/60/80/428306080.db2.gz MDFXOTPRGBZZGA-IBGZPJMESA-N 2 0 317.477 2.533 20 0 DFADRP CC(C)c1cccc(NC(=[NH2+])NC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)c1 ZINC000360572432 428355392 /nfs/dbraw/zinc/35/53/92/428355392.db2.gz KHHSRUXFIYYZIC-DLBZAZTESA-N 2 0 316.449 2.609 20 0 DFADRP Cc1csc(N2CCCN(CC[C@@H]3CCCC[N@H+]3C)CC2)n1 ZINC000378125367 428314922 /nfs/dbraw/zinc/31/49/22/428314922.db2.gz IBZMAVBEYFEBFZ-INIZCTEOSA-N 2 0 322.522 2.838 20 0 DFADRP CSc1ccc(C[NH2+][C@H](C)CCN2CC[NH+](C)CC2)s1 ZINC000352932284 428316958 /nfs/dbraw/zinc/31/69/58/428316958.db2.gz FUQYXKRQOORPCA-CYBMUJFWSA-N 2 0 313.536 2.586 20 0 DFADRP CCC[NH+](CCC)CCCC(=O)N1CCC([NH2+]CC2CC2)CC1 ZINC000378189672 428328684 /nfs/dbraw/zinc/32/86/84/428328684.db2.gz LCUNHVHMULIKCB-UHFFFAOYSA-N 2 0 323.525 2.879 20 0 DFADRP CC[N@@H+]1C[C@H](C)[C@H](N[C@H](C)[C@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC000352972782 428331683 /nfs/dbraw/zinc/33/16/83/428331683.db2.gz YMWMHKZCAFYWJD-KVPLUYHFSA-N 2 0 315.505 2.827 20 0 DFADRP C[C@](O)(C[NH2+][C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21)C1CC1 ZINC000356838362 428333045 /nfs/dbraw/zinc/33/30/45/428333045.db2.gz ILTDXSOJMQTPKJ-FFGOWVMKSA-N 2 0 314.473 2.648 20 0 DFADRP CC[N@@H+]1CCC[C@@H](C[NH2+]C2CCN(CCC(F)(F)F)CC2)C1 ZINC000356842554 428333610 /nfs/dbraw/zinc/33/36/10/428333610.db2.gz KUFOUFTUJZEEQU-AWEZNQCLSA-N 2 0 321.431 2.725 20 0 DFADRP COc1ccc([C@H]2CCC[N@@H+]2C[C@H]2CCC[NH2+]C2)cc1OC ZINC000346837220 428338975 /nfs/dbraw/zinc/33/89/75/428338975.db2.gz PQJGXBAXEIFCFS-GOEBONIOSA-N 2 0 304.434 2.840 20 0 DFADRP [NH3+][C@@H]1CC[C@H]2C[N@H+](Cc3c[nH]nc3-c3cccc(Cl)c3)C[C@@H]12 ZINC000346843138 428341174 /nfs/dbraw/zinc/34/11/74/428341174.db2.gz XFQQMZIWVWNRDO-APHBMKBZSA-N 2 0 316.836 2.899 20 0 DFADRP [NH3+][C@@H]1CC[C@@H]2C[N@H+](Cc3c[nH]nc3-c3cccc(Cl)c3)C[C@H]12 ZINC000346843148 428341573 /nfs/dbraw/zinc/34/15/73/428341573.db2.gz XFQQMZIWVWNRDO-UHOFOFEASA-N 2 0 316.836 2.899 20 0 DFADRP COc1cccc(C[N@@H+]2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)c1OC(C)C ZINC000346843587 428341838 /nfs/dbraw/zinc/34/18/38/428341838.db2.gz KICIBFWGHBJKFG-BPUTZDHNSA-N 2 0 304.434 2.652 20 0 DFADRP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](Cc3c[nH]nc3-c3ccccc3F)C[C@H]21 ZINC000346846265 428344258 /nfs/dbraw/zinc/34/42/58/428344258.db2.gz NTSFERSVQWBSAR-SRCQZFHVSA-N 2 0 314.408 2.775 20 0 DFADRP CCOc1ccc(C[N@@H+]2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)cc1OCC ZINC000346851090 428345506 /nfs/dbraw/zinc/34/55/06/428345506.db2.gz QEGJQCABTNCIPE-JYJNAYRXSA-N 2 0 304.434 2.653 20 0 DFADRP CC(C)[C@H]1[NH2+]CC[C@@H]1c1nc(-c2ccc(C[NH+](C)C)cc2)no1 ZINC000356881643 428347221 /nfs/dbraw/zinc/34/72/21/428347221.db2.gz HSRLOKLIBHSRJW-JKSUJKDBSA-N 2 0 314.433 2.900 20 0 DFADRP [NH3+][C@@H]1CC[C@@H]2C[N@H+](Cc3cccc(OCc4ccccn4)c3)C[C@@H]12 ZINC000346854226 428347788 /nfs/dbraw/zinc/34/77/88/428347788.db2.gz TZMKRQZENQVNRB-NSISKUIASA-N 2 0 323.440 2.830 20 0 DFADRP C[C@H]([NH2+]CC[C@H]1CCCC[N@@H+]1C)c1ccc(-n2ccnn2)cc1 ZINC000342209389 428350559 /nfs/dbraw/zinc/35/05/59/428350559.db2.gz RYGGXTUEVQAWSO-DOTOQJQBSA-N 2 0 313.449 2.792 20 0 DFADRP [NH3+][C@@H]1CCC[C@@H]2CN(CC(=O)Nc3cccc4ccccc43)C[C@@H]21 ZINC000342102402 428301744 /nfs/dbraw/zinc/30/17/44/428301744.db2.gz MCNULSSWEAUYTI-BPQIPLTHSA-N 2 0 323.440 2.838 20 0 DFADRP Cc1cccc2c1[nH+]cc(C)c2N1CCN(Cc2ncc[nH]2)CC1 ZINC000360666619 428390307 /nfs/dbraw/zinc/39/03/07/428390307.db2.gz QDEKCDRCBGZBRQ-UHFFFAOYSA-N 2 0 321.428 2.897 20 0 DFADRP CCOC(=O)C1CCC([N@H+](CC)C[C@H]2CC[NH2+][C@H](C)C2)CC1 ZINC000414747753 428391991 /nfs/dbraw/zinc/39/19/91/428391991.db2.gz SRJVEXROVMGFDK-XNIRIUNOSA-N 2 0 310.482 2.818 20 0 DFADRP COC(=O)[C@@H]1CC[C@@H](c2ccccc2)[N@@H+]1C[C@H]1CC[NH2+][C@@H](C)C1 ZINC000414751215 428392523 /nfs/dbraw/zinc/39/25/23/428392523.db2.gz AAMGUXZLMNCWPH-LAQRGFTBSA-N 2 0 316.445 2.753 20 0 DFADRP C[C@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]CCc2cnccn2)CC1 ZINC000378504130 428414057 /nfs/dbraw/zinc/41/40/57/428414057.db2.gz BKBBMVYTWJPYOR-YJBOKZPZSA-N 2 0 302.466 2.652 20 0 DFADRP C[C@@H]1C[C@H](C[N@@H+]2CCC[C@@H](c3ncc4n3CCCC4)C2)CC[NH2+]1 ZINC000414760899 428396069 /nfs/dbraw/zinc/39/60/69/428396069.db2.gz HWIDBFGOYFLGAD-BRWVUGGUSA-N 2 0 316.493 2.787 20 0 DFADRP C[C@@H]1C[C@H](C[NH+]2CCC(c3ncc4n3CCCC4)CC2)CC[NH2+]1 ZINC000414756477 428396142 /nfs/dbraw/zinc/39/61/42/428396142.db2.gz JRSKYNDVLUECIL-HZPDHXFCSA-N 2 0 316.493 2.787 20 0 DFADRP COc1ccc(C[C@H](C)C[N@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)cc1F ZINC000414769028 428398457 /nfs/dbraw/zinc/39/84/57/428398457.db2.gz MYURMNYJJYISON-BHYGNILZSA-N 2 0 320.452 2.944 20 0 DFADRP COc1cc(C[N@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)cc(Cl)c1OC ZINC000414769451 428398641 /nfs/dbraw/zinc/39/86/41/428398641.db2.gz NMFGCINHRJICHF-OKILXGFUSA-N 2 0 324.852 2.789 20 0 DFADRP COc1cccc(C[N@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)c1OC(C)C ZINC000414769862 428399142 /nfs/dbraw/zinc/39/91/42/428399142.db2.gz NXJIDQOTULHKRJ-IYBDPMFKSA-N 2 0 318.461 2.914 20 0 DFADRP CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C[C@H]1CCC[NH2+]C1 ZINC000346992413 428399455 /nfs/dbraw/zinc/39/94/55/428399455.db2.gz UCFGPKFFKYYJGJ-VQTJNVASSA-N 2 0 315.505 2.830 20 0 DFADRP CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C[C@@H]1CCC[NH2+]C1 ZINC000346992415 428400345 /nfs/dbraw/zinc/40/03/45/428400345.db2.gz UCFGPKFFKYYJGJ-WOJBJXKFSA-N 2 0 315.505 2.830 20 0 DFADRP C[C@H]([NH3+])[C@H]1CCC[N@H+](Cc2c[nH]nc2-c2ccc(F)cc2)C1 ZINC000346995616 428400645 /nfs/dbraw/zinc/40/06/45/428400645.db2.gz BOJXOBFIRPJSKT-JSGCOSHPSA-N 2 0 302.397 2.775 20 0 DFADRP COCCOc1ccc(C[N@@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)cc1 ZINC000414771781 428400885 /nfs/dbraw/zinc/40/08/85/428400885.db2.gz AOIXCBJBHALXKV-ROUUACIJSA-N 2 0 318.461 2.533 20 0 DFADRP C[C@@H](C[N@@H+]1C[C@H](C[NH3+])C2(C1)CCOCC2)c1ccc(F)cc1 ZINC000414774063 428402350 /nfs/dbraw/zinc/40/23/50/428402350.db2.gz FDPLXHZQGAUMCE-HOCLYGCPSA-N 2 0 306.425 2.617 20 0 DFADRP CCC[N@H+](Cc1cnc2c(cnn2C(C)C)c1)C1CC[NH2+]CC1 ZINC000347001322 428402791 /nfs/dbraw/zinc/40/27/91/428402791.db2.gz HNKVGTFKMSQWQM-UHFFFAOYSA-N 2 0 315.465 2.976 20 0 DFADRP Clc1ccc2nc(C[N@@H+]3CCC[C@H]([C@H]4CC[NH2+]C4)C3)cn2c1 ZINC000414780364 428404271 /nfs/dbraw/zinc/40/42/71/428404271.db2.gz LKLNUTKXLQLKGE-KBPBESRZSA-N 2 0 318.852 2.809 20 0 DFADRP CC1(c2ccccc2)CCC([NH2+]CCCN2CC[NH2+]CC2)CC1 ZINC000414776535 428404448 /nfs/dbraw/zinc/40/44/48/428404448.db2.gz FNIDSOHJPQIWFT-UHFFFAOYSA-N 2 0 315.505 2.772 20 0 DFADRP C[C@H]([NH2+]C[C@H]1CCCN(C)[C@H]1c1cnn(C)c1)c1ccccn1 ZINC000378470550 428404543 /nfs/dbraw/zinc/40/45/43/428404543.db2.gz BXXGJKHUUFFWDP-HDMKZQKVSA-N 2 0 313.449 2.549 20 0 DFADRP CCSc1cccc(C[N@@H+]2C[C@@H](C[NH3+])C3(C2)CCOCC3)c1 ZINC000414782024 428406047 /nfs/dbraw/zinc/40/60/47/428406047.db2.gz NXACQYVFQAHLFC-MRXNPFEDSA-N 2 0 320.502 2.986 20 0 DFADRP COc1cc(C)c(C[N@@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)cc1OC ZINC000414784876 428406569 /nfs/dbraw/zinc/40/65/69/428406569.db2.gz RSCUHGWXTARQPZ-CVEARBPZSA-N 2 0 318.461 2.834 20 0 DFADRP COc1ccc(C[N@@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)cc1OC ZINC000414785032 428407990 /nfs/dbraw/zinc/40/79/90/428407990.db2.gz SBDRMZWHEKTVEM-CVEARBPZSA-N 2 0 304.434 2.525 20 0 DFADRP CCOc1c(Cl)cc(C[NH2+][C@@H]2CCC[C@@H]2C[NH3+])cc1OC ZINC000414789865 428409488 /nfs/dbraw/zinc/40/94/88/428409488.db2.gz FXKYUABOJBKFJS-TZMCWYRMSA-N 2 0 312.841 2.964 20 0 DFADRP c1cc(CCC[N@@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)cc2c1OCC2 ZINC000414787652 428409725 /nfs/dbraw/zinc/40/97/25/428409725.db2.gz VSAJTOPWCNABCU-OALUTQOASA-N 2 0 314.473 2.876 20 0 DFADRP c1c(C[N@@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)[nH]nc1-c1ccccc1 ZINC000414789959 428409982 /nfs/dbraw/zinc/40/99/82/428409982.db2.gz ZCTUKYDKRXJXPW-IAGOWNOFSA-N 2 0 310.445 2.898 20 0 DFADRP CC(C)[C@@H]([NH3+])CNC1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000414790004 428410056 /nfs/dbraw/zinc/41/00/56/428410056.db2.gz GGGSJAXJFAPBEK-KRWDZBQOSA-N 2 0 309.885 2.877 20 0 DFADRP CC[C@H](C[N@@H+]1C[C@H](C[NH3+])C2(C1)CCOCC2)c1ccccc1 ZINC000414786285 428410651 /nfs/dbraw/zinc/41/06/51/428410651.db2.gz UMRZBGBLBPWKOV-AEFFLSMTSA-N 2 0 302.462 2.868 20 0 DFADRP COc1ccc(C[N@@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)c(OC)c1 ZINC000414790101 428412558 /nfs/dbraw/zinc/41/25/58/428412558.db2.gz ZLEDZNBCYRDCIR-HUUCEWRRSA-N 2 0 304.434 2.525 20 0 DFADRP C[C@H](CC(=O)Nc1cccc(Cl)c1)[NH2+][C@H]1CCC[C@@H]1C[NH3+] ZINC000414794900 428412811 /nfs/dbraw/zinc/41/28/11/428412811.db2.gz GDJGWKBMGNUTEL-JMSVASOKSA-N 2 0 309.841 2.774 20 0 DFADRP CCC[NH+]1CCN(c2ccccc2C[NH2+][C@@H]2C[C@@H]2C(F)F)CC1 ZINC000342238454 428364792 /nfs/dbraw/zinc/36/47/92/428364792.db2.gz SQESSSCICWRWCR-JKSUJKDBSA-N 2 0 323.431 2.962 20 0 DFADRP C[C@@H]1CCC[C@H](C[N@@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@H](C)C2)C1 ZINC000356985378 428369381 /nfs/dbraw/zinc/36/93/81/428369381.db2.gz NZKCITJWVMRBHQ-YRXWBPOGSA-N 2 0 307.526 2.771 20 0 DFADRP C[C@@H]1C[C@@H](C[N@@H+]2CCCN(Cc3ccc(F)cc3)CC2)CC[NH2+]1 ZINC000414684843 428375913 /nfs/dbraw/zinc/37/59/13/428375913.db2.gz WZMNYCVJKPKBDF-AEFFLSMTSA-N 2 0 319.468 2.722 20 0 DFADRP C[C@@H]1CN(Cc2ccccc2)CC[N@H+]1C[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000414698959 428378393 /nfs/dbraw/zinc/37/83/93/428378393.db2.gz REOBLROIOFHMAJ-YQVWRLOYSA-N 2 0 301.478 2.581 20 0 DFADRP CCCNC(=O)[C@H](C)[NH+]1CCC(CC[N@H+](CC)CC2CC2)CC1 ZINC000357070731 428378969 /nfs/dbraw/zinc/37/89/69/428378969.db2.gz APUTUWBAEYKRLR-INIZCTEOSA-N 2 0 323.525 2.735 20 0 DFADRP C[N@H+](CCCc1ccccc1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000371258189 428380163 /nfs/dbraw/zinc/38/01/63/428380163.db2.gz LRXJEZMPXPQZSM-HXUWFJFHSA-N 2 0 315.505 2.720 20 0 DFADRP CC[N@H+](C[C@@H]1CC[NH2+][C@@H](C)C1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000414714468 428382885 /nfs/dbraw/zinc/38/28/85/428382885.db2.gz PUDBVPMYFLIXIC-SXLOBPIMSA-N 2 0 315.505 2.971 20 0 DFADRP C[C@@H]1C[C@@H](C[N@H+](Cc2ccccc2)[C@H](CO)C2CC2)CC[NH2+]1 ZINC000414715628 428385411 /nfs/dbraw/zinc/38/54/11/428385411.db2.gz RHXUOLRORDYXDO-HHXXYDBFSA-N 2 0 302.462 2.648 20 0 DFADRP [NH3+]CC(=O)N1CCC[C@@H](C[N@@H+]2CCC[C@H]2CCC2CCCC2)C1 ZINC000414715439 428386350 /nfs/dbraw/zinc/38/63/50/428386350.db2.gz WUGCARZAYWNWCL-ROUUACIJSA-N 2 0 321.509 2.619 20 0 DFADRP C[N@H+](CCC[NH+]1CCCC1)C[C@H](O)Cc1cccc(Cl)c1 ZINC000347076176 428434322 /nfs/dbraw/zinc/43/43/22/428434322.db2.gz BGDKVUUWGJAMDJ-QGZVFWFLSA-N 2 0 310.869 2.661 20 0 DFADRP C[C@H]([NH2+]Cc1cnc(-c2ccncc2)s1)[C@@H]1CCC[NH2+]C1 ZINC000414858534 428435622 /nfs/dbraw/zinc/43/56/22/428435622.db2.gz RXCNJZGKXGTJCG-GXTWGEPZSA-N 2 0 302.447 2.683 20 0 DFADRP C[C@@H]([NH2+]Cc1cc(Cl)c2c(c1)OCCCO2)[C@H]1CCC[NH2+]C1 ZINC000414858315 428435954 /nfs/dbraw/zinc/43/59/54/428435954.db2.gz RIFBFNYABMBPHZ-OCCSQVGLSA-N 2 0 324.852 2.979 20 0 DFADRP c1ccc([C@@H]2C[C@@H](NCCC[NH2+]Cc3cccnc3)CC[NH2+]2)cc1 ZINC000414857573 428436075 /nfs/dbraw/zinc/43/60/75/428436075.db2.gz FBARIDWTJXCFDX-PMACEKPBSA-N 2 0 324.472 2.644 20 0 DFADRP c1ccc([C@H]2CCCC[C@H]([NH2+]CCN3CC[NH2+]CC3)C2)cc1 ZINC000414865387 428438944 /nfs/dbraw/zinc/43/89/44/428438944.db2.gz LCXNKPVHMCOPGN-OALUTQOASA-N 2 0 301.478 2.598 20 0 DFADRP CC[N@@H+]1CC[C@H](N(C)Cc2cc(-c3cccnc3)n[nH]2)[C@H](C)C1 ZINC000372403462 428439022 /nfs/dbraw/zinc/43/90/22/428439022.db2.gz DCUSKCCOIUBAHG-KDOFPFPSSA-N 2 0 313.449 2.634 20 0 DFADRP CSc1cc(Br)ccc1C[NH2+]C[C@H](C)C[NH3+] ZINC000414876532 428439845 /nfs/dbraw/zinc/43/98/45/428439845.db2.gz LMFSIQRRAAFIIU-SECBINFHSA-N 2 0 303.269 2.855 20 0 DFADRP COCCOc1cccc(C[NH+]2CCC([C@H]3CCC[NH2+]3)CC2)c1 ZINC000347089337 428440378 /nfs/dbraw/zinc/44/03/78/428440378.db2.gz DRZPEEDRYJEBCL-LJQANCHMSA-N 2 0 318.461 2.676 20 0 DFADRP C[C@H]([NH3+])c1ccc(NC(=O)c2ccc3c(c2)CC[NH2+]CC3)cc1 ZINC000353229451 428440563 /nfs/dbraw/zinc/44/05/63/428440563.db2.gz XEQSPHWWSAHFQG-ZDUSSCGKSA-N 2 0 309.413 2.647 20 0 DFADRP COc1ccc(C[NH+]2CCC([C@@H](C)[NH3+])CC2)c(OC(F)F)c1 ZINC000347094589 428441253 /nfs/dbraw/zinc/44/12/53/428441253.db2.gz HXHDGFNROBXOSN-LLVKDONJSA-N 2 0 314.376 2.856 20 0 DFADRP C[C@@H]([NH3+])C1CC[NH+](Cc2cnc(-c3ccccn3)s2)CC1 ZINC000347094547 428441573 /nfs/dbraw/zinc/44/15/73/428441573.db2.gz HNPQFSQRDVLQRP-GFCCVEGCSA-N 2 0 302.447 2.764 20 0 DFADRP C[C@@H](Cc1ccc(Br)c(F)c1)[NH2+]C[C@H]([NH3+])C1CC1 ZINC000414883305 428444817 /nfs/dbraw/zinc/44/48/17/428444817.db2.gz DIURWZJNOUKGPD-XPTSAGLGSA-N 2 0 315.230 2.846 20 0 DFADRP C[C@@H](C[NH3+])C[NH2+]C1CCN(Cc2c(F)cccc2Cl)CC1 ZINC000414883489 428445179 /nfs/dbraw/zinc/44/51/79/428445179.db2.gz VCNOBZMBZAKLLV-LBPRGKRZSA-N 2 0 313.848 2.628 20 0 DFADRP [NH3+][C@@H](CNC1CC[NH+](Cc2ccccc2Cl)CC1)C1CC1 ZINC000414889763 428446592 /nfs/dbraw/zinc/44/65/92/428446592.db2.gz LRVCXSRTHKKWTE-KRWDZBQOSA-N 2 0 307.869 2.631 20 0 DFADRP COCC[NH2+]CCNCc1ccc(-c2ccccc2OC)cc1 ZINC000414892836 428446869 /nfs/dbraw/zinc/44/68/69/428446869.db2.gz XKQGVOTWRNTDKU-UHFFFAOYSA-N 2 0 314.429 2.688 20 0 DFADRP C[C@H]([NH3+])C1CC[NH+](Cc2cn(C)nc2-c2cccs2)CC1 ZINC000347106863 428447637 /nfs/dbraw/zinc/44/76/37/428447637.db2.gz NVHGQSOOZSSTQJ-LBPRGKRZSA-N 2 0 304.463 2.708 20 0 DFADRP CCc1ccccc1C[N@@H+]1CC[C@@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000372468520 428448217 /nfs/dbraw/zinc/44/82/17/428448217.db2.gz IFJJIZIKFPYGTA-HXUWFJFHSA-N 2 0 315.505 2.849 20 0 DFADRP CSCC[C@H](CO)[NH2+][C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000357238064 428449039 /nfs/dbraw/zinc/44/90/39/428449039.db2.gz PMSOBBIWVJAYDR-CGTJXYLNSA-N 2 0 322.518 2.601 20 0 DFADRP CCOc1ccc(C[NH2+]C[C@@]2(C)CCC[NH2+]C2)cc1OCC ZINC000414896773 428449900 /nfs/dbraw/zinc/44/99/00/428449900.db2.gz CRAPWEOWYLFZSM-SFHVURJKSA-N 2 0 306.450 2.963 20 0 DFADRP CC(C)c1ccccc1NC(=O)C[C@H](C)[NH2+]C[C@@H]([NH3+])C1CC1 ZINC000414895029 428450714 /nfs/dbraw/zinc/45/07/14/428450714.db2.gz VGKKISBRJYIZQT-XJKSGUPXSA-N 2 0 303.450 2.854 20 0 DFADRP CC(C)([NH3+])CCC(=O)NC[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000379660174 428451458 /nfs/dbraw/zinc/45/14/58/428451458.db2.gz BUVLSGBPVLYSIV-QGZVFWFLSA-N 2 0 317.477 2.675 20 0 DFADRP Cc1ccccc1NC(=O)C[C@H](C)[NH2+]C[C@]1(C)CCC[NH2+]C1 ZINC000414904035 428451992 /nfs/dbraw/zinc/45/19/92/428451992.db2.gz JLQLXZHINLSDED-MAUKXSAKSA-N 2 0 303.450 2.691 20 0 DFADRP Cc1ccc(NC(=O)C[C@H](C)N[C@H]2C[NH2+]CC[C@@H]2C)cc1Cl ZINC000414910858 428453712 /nfs/dbraw/zinc/45/37/12/428453712.db2.gz CVWLYIDDRCFKDO-XEZPLFJOSA-N 2 0 323.868 2.953 20 0 DFADRP COc1ccc(C[NH2+]CC[C@H]2CCC[NH2+]2)cc1OC(F)F ZINC000414909083 428454300 /nfs/dbraw/zinc/45/43/00/428454300.db2.gz SNUPWTQROGEUPE-GFCCVEGCSA-N 2 0 300.349 2.528 20 0 DFADRP COc1ccc(C[C@H](C)[NH2+]CC2(C)CC[NH2+]CC2)cc1OC ZINC000414912057 428454549 /nfs/dbraw/zinc/45/45/49/428454549.db2.gz USTZDVLZSQQJLG-AWEZNQCLSA-N 2 0 306.450 2.614 20 0 DFADRP COc1cc(Br)ccc1C[NH2+][C@H]1CCC[C@H]([NH3+])C1 ZINC000414908919 428455361 /nfs/dbraw/zinc/45/53/61/428455361.db2.gz BOHOCIDXJCXBAI-STQMWFEESA-N 2 0 313.239 2.817 20 0 DFADRP COCC[C@@H](Cc1cccc(F)c1)[NH2+]C[C@@]1(C)CCC[NH2+]C1 ZINC000414920067 428457526 /nfs/dbraw/zinc/45/75/26/428457526.db2.gz YLCKYERDFOGZKZ-ROUUACIJSA-N 2 0 308.441 2.753 20 0 DFADRP CC(C)n1ncc2cc(C[NH+]3CCC([C@@H](C)[NH3+])CC3)cnc21 ZINC000347125450 428458207 /nfs/dbraw/zinc/45/82/07/428458207.db2.gz YGXOFIWGCMEKAE-CYBMUJFWSA-N 2 0 301.438 2.571 20 0 DFADRP Fc1ccccc1N1CC[NH+](CCCC2CC[NH2+]CC2)CC1 ZINC000386007552 428458942 /nfs/dbraw/zinc/45/89/42/428458942.db2.gz OWRZAVXZIZVINT-UHFFFAOYSA-N 2 0 305.441 2.728 20 0 DFADRP CC(=O)Nc1ccc(C[N@@H+]2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)cc1 ZINC000386768832 428460755 /nfs/dbraw/zinc/46/07/55/428460755.db2.gz HHJVVQSPBHAAPC-SJLPKXTDSA-N 2 0 301.434 2.609 20 0 DFADRP C[C@H]([NH3+])[C@@H]1CCCN(Cc2nc3cc(Cl)ccc3n2C)C1 ZINC000347133016 428461390 /nfs/dbraw/zinc/46/13/90/428461390.db2.gz RVEDODXFQGGCPH-NWDGAFQWSA-N 2 0 306.841 2.786 20 0 DFADRP CCOc1c(C[NH+]2CCC([C@H](C)[NH3+])CC2)c(C)nn1CC(C)C ZINC000347135893 428463877 /nfs/dbraw/zinc/46/38/77/428463877.db2.gz SVLYPSLYVJBYDY-AWEZNQCLSA-N 2 0 322.497 2.805 20 0 DFADRP C[C@H]1C[C@H](NCC(C)(C)C[N@H+](C)Cc2ccccc2)CC[NH2+]1 ZINC000414942486 428464468 /nfs/dbraw/zinc/46/44/68/428464468.db2.gz DNYNJNSNJZQAHO-FUHWJXTLSA-N 2 0 303.494 2.875 20 0 DFADRP Cc1ccc(NC(=O)C[C@H](C)[NH2+][C@H]2CC[NH2+]C[C@@H]2C)cc1Cl ZINC000414947819 428466614 /nfs/dbraw/zinc/46/66/14/428466614.db2.gz XBYMIGCEJUBFJO-XEZPLFJOSA-N 2 0 323.868 2.953 20 0 DFADRP COCC1(C[NH2+]Cc2c(F)cccc2Cl)CC[NH2+]CC1 ZINC000414952905 428467972 /nfs/dbraw/zinc/46/79/72/428467972.db2.gz ITZXQVIDOSMRTP-UHFFFAOYSA-N 2 0 300.805 2.585 20 0 DFADRP CCOc1cc(C[NH2+][C@H]2CCC[C@@H]2C[NH3+])cc(Cl)c1OC ZINC000414801802 428417203 /nfs/dbraw/zinc/41/72/03/428417203.db2.gz UVKGALCMBWHYGJ-OCCSQVGLSA-N 2 0 312.841 2.964 20 0 DFADRP [NH3+]C[C@@H]1CCC[C@H]1[NH2+]Cc1ccc(Br)c(F)c1 ZINC000414811863 428418705 /nfs/dbraw/zinc/41/87/05/428418705.db2.gz WTYQGSZVXPHGIL-GXFFZTMASA-N 2 0 301.203 2.805 20 0 DFADRP CCCC[C@H](C[NH3+])NC1CC[NH+](CCc2ccccc2)CC1 ZINC000414808237 428419411 /nfs/dbraw/zinc/41/94/11/428419411.db2.gz DXDXYNDHZHMUEL-LJQANCHMSA-N 2 0 303.494 2.801 20 0 DFADRP C[C@H]([NH3+])CC[NH2+]Cc1cn(-c2ccccc2)nc1-c1cccnc1 ZINC000414821223 428420911 /nfs/dbraw/zinc/42/09/11/428420911.db2.gz LAFAALGFOUUUPM-HNNXBMFYSA-N 2 0 321.428 2.761 20 0 DFADRP C[C@@H]1C[N@H+](Cc2ccc(OCC(F)(F)F)cc2)CC[C@@H]1[NH3+] ZINC000347044541 428421880 /nfs/dbraw/zinc/42/18/80/428421880.db2.gz NELIODLAHSFPGG-RISCZKNCSA-N 2 0 302.340 2.797 20 0 DFADRP Cc1nn(-c2ccc(F)cc2F)c(C)c1C[NH2+]CC[C@H](C)[NH3+] ZINC000414820911 428421806 /nfs/dbraw/zinc/42/18/06/428421806.db2.gz KLHCNHBNFULTCH-JTQLQIEISA-N 2 0 308.376 2.594 20 0 DFADRP C[C@@H]([NH3+])c1ccc(C[NH2+]C2CCN(CC(F)(F)F)CC2)cc1 ZINC000414815665 428421926 /nfs/dbraw/zinc/42/19/26/428421926.db2.gz YAUGJAHSHGCOGV-GFCCVEGCSA-N 2 0 315.383 2.823 20 0 DFADRP Cc1nn(-c2ccc(Cl)cc2)c(C)c1C[NH2+]CC[C@H](C)[NH3+] ZINC000414819207 428422112 /nfs/dbraw/zinc/42/21/12/428422112.db2.gz GZIRSSXLECSTEH-NSHDSACASA-N 2 0 306.841 2.969 20 0 DFADRP CSC1(C[NH2+]Cc2cn(C(C)C)nc2C)CC[NH+](C)CC1 ZINC000353197504 428424692 /nfs/dbraw/zinc/42/46/92/428424692.db2.gz WQAKOXYUUQKDSZ-UHFFFAOYSA-N 2 0 310.511 2.689 20 0 DFADRP Clc1ccccc1C[NH+]1CCC(NC[C@@H]2CCC[NH2+]2)CC1 ZINC000414821367 428424766 /nfs/dbraw/zinc/42/47/66/428424766.db2.gz CAVUKFVVLXMLOM-INIZCTEOSA-N 2 0 307.869 2.646 20 0 DFADRP Clc1ccc(CN2CCC([NH2+]C[C@H]3CCC[NH2+]C3)CC2)cc1 ZINC000414829101 428426268 /nfs/dbraw/zinc/42/62/68/428426268.db2.gz NCBRXZHXAAMHRV-INIZCTEOSA-N 2 0 321.896 2.894 20 0 DFADRP COc1ccc(CC[C@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1O ZINC000414835460 428428478 /nfs/dbraw/zinc/42/84/78/428428478.db2.gz UEDICVWSIAHENL-NTQSIJHJSA-N 2 0 304.434 2.595 20 0 DFADRP c1ccc(CC[NH+]2CCC(NC3C[C@H]4CC[C@@H](C3)[NH2+]4)CC2)cc1 ZINC000414828745 428428517 /nfs/dbraw/zinc/42/85/17/428428517.db2.gz MMVYKUZVQLGNIC-YOFSQIOKSA-N 2 0 313.489 2.566 20 0 DFADRP C[C@H](c1nc(-c2cccc(F)c2)no1)N1CC[C@H](C[NH+](C)C)C1 ZINC000372330506 428429382 /nfs/dbraw/zinc/42/93/82/428429382.db2.gz LFDDNYKWRITZOG-CHWSQXEVSA-N 2 0 318.396 2.820 20 0 DFADRP Cc1cccc(NC(=O)C[C@H](C)[NH2+]C[C@H]2CCC[NH2+]C2)c1C ZINC000414841041 428431226 /nfs/dbraw/zinc/43/12/26/428431226.db2.gz YUCBOFGDNFDRBR-HOCLYGCPSA-N 2 0 303.450 2.610 20 0 DFADRP CCOc1c(OC)cc(C[NH2+][C@H](C)[C@@H]2CCC[NH2+]C2)cc1OC ZINC000414852989 428431752 /nfs/dbraw/zinc/43/17/52/428431752.db2.gz KHXSXYDZRPJROG-UKRRQHHQSA-N 2 0 322.449 2.580 20 0 DFADRP CCOc1c(OC)cc(C[NH2+][C@@H](C)[C@H]2CCC[NH2+]C2)cc1OC ZINC000414852992 428432571 /nfs/dbraw/zinc/43/25/71/428432571.db2.gz KHXSXYDZRPJROG-ZFWWWQNUSA-N 2 0 322.449 2.580 20 0 DFADRP COc1cccc(C[NH2+]CC[C@@H]2CCC[NH2+]C2)c1OC(F)F ZINC000414854512 428432590 /nfs/dbraw/zinc/43/25/90/428432590.db2.gz UJHPGJROPYELLR-LBPRGKRZSA-N 2 0 314.376 2.776 20 0 DFADRP OC[C@@H]1CCCN1C[C@H]1CCC[N@@H+]1CCCCc1ccccc1 ZINC000372343173 428432953 /nfs/dbraw/zinc/43/29/53/428432953.db2.gz BOOKIEUTDNHMQR-UXHICEINSA-N 2 0 316.489 2.930 20 0 DFADRP COCC1(C[NH2+]Cc2ccc(F)cc2Cl)CC[NH2+]CC1 ZINC000414978832 428480103 /nfs/dbraw/zinc/48/01/03/428480103.db2.gz TZZASNKPKKABHY-UHFFFAOYSA-N 2 0 300.805 2.585 20 0 DFADRP C[C@H]([NH3+])C1CC[NH+](Cc2ccc(Oc3cnccn3)cc2)CC1 ZINC000347173586 428480906 /nfs/dbraw/zinc/48/09/06/428480906.db2.gz PGPPKDZPBJHVEM-AWEZNQCLSA-N 2 0 312.417 2.828 20 0 DFADRP COc1ccc(C[NH2+]CCC[C@@H]2CCC[NH2+]2)c(Cl)c1OC ZINC000414982802 428480968 /nfs/dbraw/zinc/48/09/68/428480968.db2.gz ZFPBBZZGPLNOOR-CYBMUJFWSA-N 2 0 312.841 2.979 20 0 DFADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+]CCCc1ccc2c(c1)CCO2 ZINC000414987189 428481246 /nfs/dbraw/zinc/48/12/46/428481246.db2.gz DIEULFAUCHEWGL-GIOYIUAESA-N 2 0 300.446 2.660 20 0 DFADRP CC(C)C1CCC([NH2+]C[C@H](N2CC[NH2+]CC2)C(F)(F)F)CC1 ZINC000414994558 428482851 /nfs/dbraw/zinc/48/28/51/428482851.db2.gz VMNNDPCEPLKLKO-NRXISQOPSA-N 2 0 321.431 2.627 20 0 DFADRP C[C@H](O)C[N@H+](C)C1CC[NH+](C[C@@H](C)Cc2ccccc2)CC1 ZINC000360897339 428483368 /nfs/dbraw/zinc/48/33/68/428483368.db2.gz MAYSDQYRWKIVCX-IRXDYDNUSA-N 2 0 304.478 2.642 20 0 DFADRP CCOc1ccc(C[NH2+][C@@H]2C[C@H]2C2CC[NH2+]CC2)cc1OC ZINC000414998340 428485677 /nfs/dbraw/zinc/48/56/77/428485677.db2.gz IRXLPQBKTAFDFA-JKSUJKDBSA-N 2 0 304.434 2.572 20 0 DFADRP C[C@@H](c1ccccc1)N1CC[C@H]([NH2+][C@@H]2C[C@H]2C2CC[NH2+]CC2)C1 ZINC000415000208 428485774 /nfs/dbraw/zinc/48/57/74/428485774.db2.gz AKKYQACYBHLNPY-MVJPYGJCSA-N 3 0 313.489 2.800 20 0 DFADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@H]2Cc3ccccc3N(C)C2)[C@H](C)C1 ZINC000372682031 428485878 /nfs/dbraw/zinc/48/58/78/428485878.db2.gz LJKYGUAIXGHEDX-NUJGCVRESA-N 2 0 301.478 2.615 20 0 DFADRP COc1cc2c(c(CN(C)C3C[C@H]4CC[C@@H](C3)[NH2+]4)c1)O[C@@H](C)C2 ZINC000347197998 428489000 /nfs/dbraw/zinc/48/90/00/428489000.db2.gz IKNLVRLTRQZVSV-QIXHYMPYSA-N 2 0 316.445 2.733 20 0 DFADRP C[C@@H](CCCC[NH3+])[NH2+]Cc1cccc(O)c1Br ZINC000415020873 428490911 /nfs/dbraw/zinc/49/09/11/428490911.db2.gz XZPWBRVLUHZYHR-JTQLQIEISA-N 2 0 301.228 2.762 20 0 DFADRP CC[NH+]1CCN([C@@H]2CC[N@H+](C[C@H]3C[C@H]3c3ccccc3)C2)CC1 ZINC000353331550 428491279 /nfs/dbraw/zinc/49/12/79/428491279.db2.gz WECITSAFIPSRJY-AQNXPRMDSA-N 2 0 313.489 2.502 20 0 DFADRP COc1cc(C[NH2+]C(C)(C)CCC[NH3+])ccc1OC(F)F ZINC000415016978 428491497 /nfs/dbraw/zinc/49/14/97/428491497.db2.gz OTVDNWWUKIPFAR-UHFFFAOYSA-N 2 0 302.365 2.904 20 0 DFADRP [NH3+]C[C@H]1CC[C@@H]([NH2+]Cc2c[nH]nc2-c2c(F)cccc2F)C1 ZINC000415027829 428492912 /nfs/dbraw/zinc/49/29/12/428492912.db2.gz BSIHASOEQMTQPW-CMPLNLGQSA-N 2 0 306.360 2.572 20 0 DFADRP C[C@@H]1C[N@H+](C)CC[C@H]1NCC1([NH+](C)Cc2ccccc2)CCC1 ZINC000395368815 428494916 /nfs/dbraw/zinc/49/49/16/428494916.db2.gz OBZAYSHSELGOCX-IEBWSBKVSA-N 2 0 315.505 2.971 20 0 DFADRP c1cnn(-c2ccc(C[N@@H+]3CCCC[C@H]3[C@H]3CC[NH2+]C3)cc2)c1 ZINC000415037624 428495073 /nfs/dbraw/zinc/49/50/73/428495073.db2.gz GWOYIIYFQSLYQP-HKUYNNGSSA-N 2 0 310.445 2.836 20 0 DFADRP C[C@@H](Cc1cccc(C(F)(F)F)c1)[NH2+]C[C@H]1C[NH2+]CCCO1 ZINC000415044582 428497190 /nfs/dbraw/zinc/49/71/90/428497190.db2.gz SFXSYKYEYQFFRB-SWLSCSKDSA-N 2 0 316.367 2.605 20 0 DFADRP C[C@@H]1C[C@H](C[N@@H+]2CCN(Cc3ccccc3)[C@H](C)C2)CC[NH2+]1 ZINC000396344743 428497657 /nfs/dbraw/zinc/49/76/57/428497657.db2.gz PAVYJMJODPMGCR-ZHALLVOQSA-N 2 0 301.478 2.581 20 0 DFADRP CC[C@@H](C[NH2+]C1CCC([NH+]2CCNCC2)CC1)c1ccccc1 ZINC000415044244 428497780 /nfs/dbraw/zinc/49/77/80/428497780.db2.gz ASNRJCCCTUWKKV-KKXNLOMOSA-N 2 0 315.505 2.986 20 0 DFADRP Fc1ccc(/C=C\C[NH2+]C2CCC([NH+]3CCNCC3)CC2)cc1 ZINC000415046659 428498069 /nfs/dbraw/zinc/49/80/69/428498069.db2.gz CZURDSOXHSVMLA-UPHRSURJSA-N 2 0 317.452 2.645 20 0 DFADRP CC[C@@H](CCc1ccc(Br)cc1)[NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000415042319 428498881 /nfs/dbraw/zinc/49/88/81/428498881.db2.gz SGUSGERQVZIAPL-CAOSSQGBSA-N 2 0 323.278 2.968 20 0 DFADRP C[C@@H](Cc1c(Cl)cccc1Cl)[NH2+]C[C@H]1C[NH2+]CCCO1 ZINC000415048322 428500080 /nfs/dbraw/zinc/50/00/80/428500080.db2.gz XDHBQJFDZOGFPT-NWDGAFQWSA-N 2 0 317.260 2.893 20 0 DFADRP C[C@H]1C[C@H](N[C@H]2CCC[NH2+][C@H]2C)CC[N@@H+]1Cc1ccccc1 ZINC000396622645 428500909 /nfs/dbraw/zinc/50/09/09/428500909.db2.gz VGNBOPACNOYJAK-DKKFBQAASA-N 2 0 301.478 2.770 20 0 DFADRP COCCOc1cccc(C[N@@H+]2CCCC[C@H]2[C@@H]2CC[NH2+]C2)c1 ZINC000415054756 428504191 /nfs/dbraw/zinc/50/41/91/428504191.db2.gz QJWIMTRMGWGEAK-MJGOQNOKSA-N 2 0 318.461 2.676 20 0 DFADRP C1CC1[C@@H]1CCCC[C@@H]1[NH2+]C1CCC([NH+]2CCNCC2)CC1 ZINC000415058098 428504553 /nfs/dbraw/zinc/50/45/53/428504553.db2.gz SJHMCJFJHDTVBO-BTRQGYIVSA-N 2 0 305.510 2.761 20 0 DFADRP [NH3+]CCCN(CC1CCCC1)C(=O)C1C[C@H]2CCC[C@@H](C1)C2[NH3+] ZINC000357373956 428505289 /nfs/dbraw/zinc/50/52/89/428505289.db2.gz LGDIFRMRNBQFIU-OQSMONGASA-N 2 0 321.509 2.508 20 0 DFADRP CCOc1ccccc1OCC[N@@H+]1C[C@H](C[NH3+])[C@H](C)C[C@H]1C ZINC000397396612 428508402 /nfs/dbraw/zinc/50/84/02/428508402.db2.gz PMMIOVYZRPFPHA-OAGGEKHMSA-N 2 0 306.450 2.769 20 0 DFADRP C[C@@H]1C[C@@H](C)[N@H+](Cc2cnn(Cc3ccccc3)c2)C[C@@H]1C[NH3+] ZINC000397442235 428508416 /nfs/dbraw/zinc/50/84/16/428508416.db2.gz GFIRWRHMHIDQHP-MDZRGWNJSA-N 2 0 312.461 2.737 20 0 DFADRP CCc1noc(-c2ccc(CC[NH2+]C[C@H]([NH3+])CC(C)C)cc2)n1 ZINC000415073187 428508565 /nfs/dbraw/zinc/50/85/65/428508565.db2.gz AQMMJSKBYNBOHH-MRXNPFEDSA-N 2 0 316.449 2.805 20 0 DFADRP COc1cc(C)c(C[N@@H+]2C[C@H](C[NH3+])[C@@H](C)C[C@H]2C)cc1OC ZINC000397404244 428509862 /nfs/dbraw/zinc/50/98/62/428509862.db2.gz SKMDLXOTAVHAOO-BJJXKVORSA-N 2 0 306.450 2.817 20 0 DFADRP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1[NH2+]CCCc1nc(C)no1 ZINC000360957743 428510762 /nfs/dbraw/zinc/51/07/62/428510762.db2.gz MOJHKUSFTMHVQF-HOTGVXAUSA-N 2 0 308.470 2.801 20 0 DFADRP C[N@H+](CCCCc1ccc(Cl)c(Cl)c1)C[C@@H](O)C[NH3+] ZINC000415069612 428511006 /nfs/dbraw/zinc/51/10/06/428511006.db2.gz PGVLTECCNMNXMY-LBPRGKRZSA-N 2 0 305.249 2.568 20 0 DFADRP C[C@H]([NH2+]CC1(O)CC[NH+](Cc2ccccc2)CC1)[C@H]1C[C@H]1C ZINC000397555552 428511433 /nfs/dbraw/zinc/51/14/33/428511433.db2.gz LGVMNTSVDNHYNC-RYRKJORJSA-N 2 0 302.462 2.648 20 0 DFADRP C[C@H](c1ccncc1)[NH+]1CCC(NCC[NH2+]C(C)(C)C)CC1 ZINC000415083162 428511860 /nfs/dbraw/zinc/51/18/60/428511860.db2.gz MZPVHBSVFLGKPO-OAHLLOKOSA-N 2 0 304.482 2.585 20 0 DFADRP CC(C)([NH3+])CCC(=O)NCC1CC[NH+](Cc2ccccc2)CC1 ZINC000397669969 428512344 /nfs/dbraw/zinc/51/23/44/428512344.db2.gz HDWUSAPBCZZQII-UHFFFAOYSA-N 2 0 317.477 2.532 20 0 DFADRP C[C@H]([NH2+]Cc1ccc(N2CCCCCC2)nc1)[C@H]1CC[NH2+]C1 ZINC000415081204 428512373 /nfs/dbraw/zinc/51/23/73/428512373.db2.gz KBDBJEAUSKLUML-RDJZCZTQSA-N 2 0 302.466 2.550 20 0 DFADRP C[C@H]1C[C@H](C[NH2+]Cc2ccc(N3CCCCCC3)nc2)CC[NH2+]1 ZINC000415083691 428512398 /nfs/dbraw/zinc/51/23/98/428512398.db2.gz NLKXAFXZPDKEQB-DLBZAZTESA-N 2 0 316.493 2.940 20 0 DFADRP C[C@@H]1C[C@@H](C[NH2+]Cc2ccnc(OCC(F)(F)F)c2)CC[NH2+]1 ZINC000415077678 428512595 /nfs/dbraw/zinc/51/25/95/428512595.db2.gz HSXVXLHMPGQWDM-NEPJUHHUSA-N 2 0 317.355 2.500 20 0 DFADRP COc1ccc(C(C)(C)C[NH2+]C[C@@H]2CC[NH2+][C@@H](C)C2)cc1OC ZINC000415079014 428513064 /nfs/dbraw/zinc/51/30/64/428513064.db2.gz JLCIRIZAWSSQQY-LSDHHAIUSA-N 2 0 320.477 2.959 20 0 DFADRP CC[C@@H]([NH2+]CC1(O)CC[NH+](Cc2ccccc2)CC1)C1CC1 ZINC000397498124 428513163 /nfs/dbraw/zinc/51/31/63/428513163.db2.gz SHLHPEBGTDLMEL-GOSISDBHSA-N 2 0 302.462 2.792 20 0 DFADRP C[C@@]1(CN[C@H]2CCC[NH2+]CC2)CCC[N@@H+]1Cc1ccccc1 ZINC000398016716 428513544 /nfs/dbraw/zinc/51/35/44/428513544.db2.gz RCOSFLOMLNYRFS-OALUTQOASA-N 2 0 301.478 2.773 20 0 DFADRP C[C@@H]([NH2+]C1CCC(C[NH3+])CC1)c1noc(-c2ccccc2)n1 ZINC000415091188 428515587 /nfs/dbraw/zinc/51/55/87/428515587.db2.gz PVCUYMBCUHUKKE-DNOWBOINSA-N 2 0 300.406 2.905 20 0 DFADRP C[C@@H]([NH2+]CCCC[N@@H+]1CCCC[C@H]1C)C(C)(C)n1cncn1 ZINC000353388412 428515786 /nfs/dbraw/zinc/51/57/86/428515786.db2.gz PTFCLYGLOMMULH-HZPDHXFCSA-N 2 0 307.486 2.646 20 0 DFADRP Clc1ccccc1N1CCC[C@H]([NH2+]C[C@@H]2CCC[NH2+]C2)C1 ZINC000415085202 428516451 /nfs/dbraw/zinc/51/64/51/428516451.db2.gz QMQRHZFDBAZUMC-CABCVRRESA-N 2 0 307.869 2.898 20 0 DFADRP Brc1cccc(OCC[NH2+][C@H]2CCC[NH2+]CC2)c1 ZINC000415085485 428516907 /nfs/dbraw/zinc/51/69/07/428516907.db2.gz SNGQPYKRTRGXDK-ZDUSSCGKSA-N 2 0 313.239 2.560 20 0 DFADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1N[C@H]1CCC[NH2+]CC1 ZINC000398054374 428517229 /nfs/dbraw/zinc/51/72/29/428517229.db2.gz YYIRMXPVIHUCGA-NEWSRXKRSA-N 2 0 301.478 2.629 20 0 DFADRP C[N@@H+]1CC[C@H]([NH2+]CCOc2ccc(F)cc2F)[C@H]2CCC[C@H]21 ZINC000353392376 428518538 /nfs/dbraw/zinc/51/85/38/428518538.db2.gz GIXFAAMXRQXSHF-VNQPRFMTSA-N 2 0 310.388 2.806 20 0 DFADRP C[N@H+](CCN1CC[NH+](Cc2ccccc2)CC1)Cc1ccccc1 ZINC000343088006 428518838 /nfs/dbraw/zinc/51/88/38/428518838.db2.gz LKICAZZNPLHDBW-UHFFFAOYSA-N 2 0 323.484 2.936 20 0 DFADRP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NCCC[NH2+]C1CC1 ZINC000398063655 428520441 /nfs/dbraw/zinc/52/04/41/428520441.db2.gz XCMANEWGDKNIED-QFBILLFUSA-N 2 0 301.478 2.629 20 0 DFADRP [NH3+][C@H]1CCCO[C@H]1C1CC[NH+](Cc2ccc3c(c2)CCC3)CC1 ZINC000415104126 428520614 /nfs/dbraw/zinc/52/06/14/428520614.db2.gz GOGOHFNRAQDQKF-PMACEKPBSA-N 2 0 314.473 2.894 20 0 DFADRP Fc1ccc(C[NH2+]CC2CC[NH2+]CC2)c(Br)c1 ZINC000415105598 428521775 /nfs/dbraw/zinc/52/17/75/428521775.db2.gz MRGYOAACOWROCT-UHFFFAOYSA-N 2 0 301.203 2.677 20 0 DFADRP C[C@@H]1CC[N@H+](Cc2c[nH]nc2-c2ccc(F)cc2)C[C@@H]1C[NH3+] ZINC000415129312 428531929 /nfs/dbraw/zinc/53/19/29/428531929.db2.gz PEKSFAKZPRKCJT-OCCSQVGLSA-N 2 0 302.397 2.633 20 0 DFADRP Cc1cccn2cc(COc3ccc(CN(C)CC[NH3+])cc3)nc12 ZINC000415115200 428523733 /nfs/dbraw/zinc/52/37/33/428523733.db2.gz WTLRZEVJFMGJPT-UHFFFAOYSA-N 2 0 324.428 2.612 20 0 DFADRP Brc1cccc(C2(CN[C@@H]3CCC[NH2+]C3)CC2)c1 ZINC000415111496 428524820 /nfs/dbraw/zinc/52/48/20/428524820.db2.gz QZMPNNCATYQAAA-CQSZACIVSA-N 2 0 309.251 2.822 20 0 DFADRP COc1cccc(OCCC[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)c1 ZINC000415115236 428524875 /nfs/dbraw/zinc/52/48/75/428524875.db2.gz GRMJNJRIXBWYMP-OTWHNJEPSA-N 2 0 318.461 2.974 20 0 DFADRP [NH3+][C@@H]1CCCO[C@@H]1C1CC[NH+](Cc2cc(F)ccc2F)CC1 ZINC000415121428 428527925 /nfs/dbraw/zinc/52/79/25/428527925.db2.gz HGZNIAGXUMAVHK-IAGOWNOFSA-N 2 0 310.388 2.683 20 0 DFADRP [NH3+]Cc1cn([C@@H]2CCC[N@H+](CCCC3CCCCC3)C2)nn1 ZINC000415124223 428530333 /nfs/dbraw/zinc/53/03/33/428530333.db2.gz JZFFLGMCOWQFKD-QGZVFWFLSA-N 2 0 305.470 2.734 20 0 DFADRP C[NH2+][C@H](CC(C)(C)C)C(=O)NC[C@H](C)[N@H+](C)Cc1ccccc1 ZINC000390749340 428473233 /nfs/dbraw/zinc/47/32/33/428473233.db2.gz RPYJJUTWKGFSOZ-DOTOQJQBSA-N 2 0 319.493 2.647 20 0 DFADRP C[C@@H]1C[NH2+]CC[C@@H]1[NH2+]Cc1cccc(OCC(F)(F)F)c1 ZINC000414957803 428473663 /nfs/dbraw/zinc/47/36/63/428473663.db2.gz OSXXZALRCWTJKJ-RISCZKNCSA-N 2 0 302.340 2.715 20 0 DFADRP COc1cc(C[NH2+][C@@H]2CC[NH2+]CC2(C)C)ccc1OC(C)C ZINC000414967278 428475500 /nfs/dbraw/zinc/47/55/00/428475500.db2.gz HHYTWKXSCRSKPG-QGZVFWFLSA-N 2 0 306.450 2.960 20 0 DFADRP Oc1cccc(C[NH2+]CCC[C@H]2CCC[NH2+]2)c1Br ZINC000414967225 428475814 /nfs/dbraw/zinc/47/58/14/428475814.db2.gz PTVAEKXMLAUSTD-LBPRGKRZSA-N 2 0 313.239 2.777 20 0 DFADRP c1ccc(CN2CCC([NH2+]CCC[C@@H]3CCC[NH2+]3)CC2)cc1 ZINC000414974546 428477341 /nfs/dbraw/zinc/47/73/41/428477341.db2.gz NQYUKQIPKPSNEV-SFHVURJKSA-N 2 0 301.478 2.773 20 0 DFADRP CN1CC[NH2+]C[C@H]1CNCc1ccc(-c2ccccc2F)s1 ZINC000414973177 428477769 /nfs/dbraw/zinc/47/77/69/428477769.db2.gz YYSMCPKJKMAECP-ZDUSSCGKSA-N 2 0 319.449 2.547 20 0 DFADRP COCC1(C[NH2+]Cc2cnc(C3CCCC3)s2)CC[NH2+]CC1 ZINC000414973990 428478585 /nfs/dbraw/zinc/47/85/85/428478585.db2.gz LPQLMSVLYKQMRW-UHFFFAOYSA-N 2 0 323.506 2.907 20 0 DFADRP C[C@@H](CNC(=O)CC1(C[NH3+])CCCCC1)[N@@H+]1CCCC[C@@H]1C ZINC000361612875 428582624 /nfs/dbraw/zinc/58/26/24/428582624.db2.gz XZUAIVVZESKPIZ-HOTGVXAUSA-N 2 0 309.498 2.665 20 0 DFADRP COc1cc(C[N@H+](C)CCCN(C)Cc2ccco2)ccn1 ZINC000353539741 428583013 /nfs/dbraw/zinc/58/30/13/428583013.db2.gz ACSSXFYLFZRGKZ-UHFFFAOYSA-N 2 0 303.406 2.637 20 0 DFADRP CN(CCC[N@H+](C)Cc1ccco1)CC[C@H]1CCCC[NH+]1C ZINC000353545153 428587967 /nfs/dbraw/zinc/58/79/67/428587967.db2.gz RGGDMLIXGRFUCI-QGZVFWFLSA-N 2 0 307.482 2.908 20 0 DFADRP C[C@H]1CC[C@H]([NH2+]CC2=CC[N@H+](C)CC2)CN1C(=O)OC(C)(C)C ZINC000399050130 428532220 /nfs/dbraw/zinc/53/22/20/428532220.db2.gz UTIOBKHBNLDFEB-HOCLYGCPSA-N 2 0 323.481 2.626 20 0 DFADRP C[C@@H]1CC[C@H](N[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)C[NH2+]1 ZINC000399115720 428533794 /nfs/dbraw/zinc/53/37/94/428533794.db2.gz FWTQJHOOSFBEIN-OGWHTMIXSA-N 2 0 301.478 2.627 20 0 DFADRP C[C@@H]1CC[C@H](N[C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)C[NH2+]1 ZINC000399060379 428534071 /nfs/dbraw/zinc/53/40/71/428534071.db2.gz LKNDLILOMVFGQQ-NEPXVJNWSA-N 2 0 301.478 2.770 20 0 DFADRP C[N@@H+]1CC[C@H]([NH2+][C@@H]2CCN(Cc3ccccc3)C2)[C@@H]2CCC[C@@H]21 ZINC000353432878 428534292 /nfs/dbraw/zinc/53/42/92/428534292.db2.gz DAUUGWIXTHOOLE-FYQPLNBISA-N 2 0 313.489 2.723 20 0 DFADRP C[C@H](C[N@@H+]1CC2(CC[NH2+]CC2)[C@@H]2COC[C@@H]21)c1ccc(F)cc1 ZINC000415140877 428536374 /nfs/dbraw/zinc/53/63/74/428536374.db2.gz NWRSWQMIWREHEO-OLMNPRSZSA-N 2 0 318.436 2.630 20 0 DFADRP CN(C)[C@H](C[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@@H]21)c1ccsc1 ZINC000353449744 428539441 /nfs/dbraw/zinc/53/94/41/428539441.db2.gz SFWZOGTYMAJWSR-QBPKDAKJSA-N 2 0 307.507 2.813 20 0 DFADRP CCN(CC)C(=O)[C@H]1CCC[N@@H+]1CCCc1ccc(C)nc1 ZINC000353448459 428540058 /nfs/dbraw/zinc/54/00/58/428540058.db2.gz MTHRLOVKJBYFNL-QGZVFWFLSA-N 2 0 303.450 2.655 20 0 DFADRP C[NH+](C)CC1CC[NH+](Cc2ccnn2-c2ccc(F)cc2)CC1 ZINC000353447144 428540470 /nfs/dbraw/zinc/54/04/70/428540470.db2.gz HPIVIEFBJYITTH-UHFFFAOYSA-N 2 0 316.424 2.785 20 0 DFADRP C[N@@H+]1CCCC[C@@H]1CC[NH+]1C[C@H](CO)[C@H](c2ccsc2)C1 ZINC000347315600 428542477 /nfs/dbraw/zinc/54/24/77/428542477.db2.gz QDEVFZWRDMJIJH-ZACQAIPSSA-N 2 0 308.491 2.630 20 0 DFADRP CC(C)[C@H](CN(C)Cc1ccccc1)[NH2+][C@H](C)[C@H]1CC[NH2+]C1 ZINC000400337541 428543387 /nfs/dbraw/zinc/54/33/87/428543387.db2.gz DRTCNDVXWIBTMX-NEWSRXKRSA-N 2 0 303.494 2.731 20 0 DFADRP C[C@H](N[C@H]1CC[N@H+](Cc2ccccc2)CC1(C)C)[C@@H]1CC[NH2+]C1 ZINC000400331269 428544246 /nfs/dbraw/zinc/54/42/46/428544246.db2.gz DQPVUKJYFKVDCN-UHOSZYNNSA-N 2 0 315.505 2.875 20 0 DFADRP C[C@H]([NH2+]CC1=CC[N@H+](C)CC1)[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000400449038 428545992 /nfs/dbraw/zinc/54/59/92/428545992.db2.gz OFKKIHMHFFMLPG-HOCLYGCPSA-N 2 0 323.481 2.626 20 0 DFADRP C[C@H](NCC1([N@H+](C)Cc2ccccc2)CCC1)[C@@H]1CCC[NH2+]1 ZINC000400514518 428546672 /nfs/dbraw/zinc/54/66/72/428546672.db2.gz GCIRKPNSHMPPIB-WMZOPIPTSA-N 2 0 301.478 2.771 20 0 DFADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+][C@@H]1CCOC2(CCSCC2)C1 ZINC000358289674 428593939 /nfs/dbraw/zinc/59/39/39/428593939.db2.gz DCEIKWDMZTYNDU-FPCVCCKLSA-N 2 0 312.523 2.750 20 0 DFADRP c1ccc(C[NH+]2CCC(C[NH2+]CC[C@@H]3CCOC3)CC2)cc1 ZINC000400669917 428548522 /nfs/dbraw/zinc/54/85/22/428548522.db2.gz YYJTZJYINMOIPQ-LJQANCHMSA-N 2 0 302.462 2.915 20 0 DFADRP C[C@H](NC[C@H]1CCC[N@H+](Cc2ccccc2)C1)[C@H]1CCC[NH2+]1 ZINC000400734264 428548610 /nfs/dbraw/zinc/54/86/10/428548610.db2.gz RIJBNGPKBJETCR-QXAKKESOSA-N 2 0 301.478 2.629 20 0 DFADRP Brc1sccc1C[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000401070447 428550012 /nfs/dbraw/zinc/55/00/12/428550012.db2.gz KCEZFJAFERBHJF-ADEWGFFLSA-N 2 0 315.280 2.988 20 0 DFADRP Brc1ccsc1C[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000401033260 428551299 /nfs/dbraw/zinc/55/12/99/428551299.db2.gz XWDYNFKOTALQDH-GMTAPVOTSA-N 2 0 315.280 2.988 20 0 DFADRP CN1CCN(C)[C@@H](C[NH2+][C@H]2CCCCc3ccc(Cl)cc32)C1 ZINC000361341036 428559302 /nfs/dbraw/zinc/55/93/02/428559302.db2.gz LQPYPDGTIMJGGQ-WMZOPIPTSA-N 2 0 321.896 2.943 20 0 DFADRP C[C@@H](c1ccccc1)N(C)C(=O)C[N@@H+]1CCC[C@@H](C)[C@H]1CC[NH3+] ZINC000404333155 428565772 /nfs/dbraw/zinc/56/57/72/428565772.db2.gz ZVVSJEOGYMZEEX-SOLBZPMBSA-N 2 0 317.477 2.655 20 0 DFADRP COc1ccc(CC[NH2+][C@@H]2CC[N@H+](C)[C@@H]3CCC[C@@H]32)c(OC)c1 ZINC000353503812 428567376 /nfs/dbraw/zinc/56/73/76/428567376.db2.gz PXOPIIKYVGZRQA-KZNAEPCWSA-N 2 0 318.461 2.709 20 0 DFADRP CCOc1ccccc1OCC[N@@H+]1CCC[C@H](C)[C@@H]1CC[NH3+] ZINC000404399310 428569091 /nfs/dbraw/zinc/56/90/91/428569091.db2.gz QBKXFLBRISRFQU-HOTGVXAUSA-N 2 0 306.450 2.913 20 0 DFADRP OC[C@H](C[NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]12)C1CC1 ZINC000353509008 428570546 /nfs/dbraw/zinc/57/05/46/428570546.db2.gz IICYVWGMVHHIJI-FUMNGEBKSA-N 2 0 314.473 2.505 20 0 DFADRP Cc1nc(-c2cccc(NC(=O)c3coc(C[NH3+])c3)c2)[nH]c1C ZINC000373426216 428572164 /nfs/dbraw/zinc/57/21/64/428572164.db2.gz KCHDTKWRUKHMFJ-UHFFFAOYSA-N 2 0 310.357 2.998 20 0 DFADRP C[C@H](CC1CCOCC1)[NH2+]CCCC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000358044250 428578376 /nfs/dbraw/zinc/57/83/76/428578376.db2.gz IFNCRWCMNSROTA-IKGGRYGDSA-N 2 0 312.498 2.671 20 0 DFADRP O=C(Nc1ccc(C[NH+]2CCCC2)cc1)[C@H]1CC[C@H](C2CC2)[NH2+]1 ZINC000407304146 428579834 /nfs/dbraw/zinc/57/98/34/428579834.db2.gz DGMXNKSIRQMEKL-QZTJIDSGSA-N 2 0 313.445 2.752 20 0 DFADRP Cc1ncc(C[N@@H+]2CC[C@H](Nc3cc[nH+]cc3C)[C@@H](C)C2)s1 ZINC000373517500 428596693 /nfs/dbraw/zinc/59/66/93/428596693.db2.gz DALYNJZZLYKKDR-GUYCJALGSA-N 2 0 316.474 2.899 20 0 DFADRP CCC(C)(C)[NH2+][C@@H](C)C(=O)NCCCC[N@@H+]1CCC[C@H](C)C1 ZINC000347532553 428598386 /nfs/dbraw/zinc/59/83/86/428598386.db2.gz UMRYHTHBJZSJNR-HOTGVXAUSA-N 2 0 311.514 2.781 20 0 DFADRP C[NH2+]Cc1ccccc1NC(=O)NC[C@H](C)[NH+]1CCC(C)CC1 ZINC000415905211 428622970 /nfs/dbraw/zinc/62/29/70/428622970.db2.gz TXTJZGJHRRZPLE-HNNXBMFYSA-N 2 0 318.465 2.648 20 0 DFADRP C[N@@H+]1CC[C@H]([NH2+]CC[C@@H]2COc3ccccc3O2)[C@@H]2CCC[C@@H]21 ZINC000353621320 428624835 /nfs/dbraw/zinc/62/48/35/428624835.db2.gz LYAFNIUDJHIGRB-QZWWFDLISA-N 2 0 316.445 2.679 20 0 DFADRP CC[NH2+]Cc1ccccc1NC(=O)N1CC[N@H+](C)[C@H](C(C)C)C1 ZINC000415934183 428630494 /nfs/dbraw/zinc/63/04/94/428630494.db2.gz RMVHWPKOAJMWSM-KRWDZBQOSA-N 2 0 318.465 2.600 20 0 DFADRP C[NH2+]Cc1cccc(NC(=O)N[C@H](C)C[NH+]2CCCCCC2)c1 ZINC000415934639 428630773 /nfs/dbraw/zinc/63/07/73/428630773.db2.gz RVDZTYLLJLGHHV-OAHLLOKOSA-N 2 0 318.465 2.792 20 0 DFADRP C[NH2+]Cc1cccc(NC(=O)N(C)CC[C@H]2CCCC[N@@H+]2C)c1 ZINC000415945559 428633186 /nfs/dbraw/zinc/63/31/86/428633186.db2.gz RJSOJUKWJRYFNR-QGZVFWFLSA-N 2 0 318.465 2.744 20 0 DFADRP CC[NH2+]Cc1ccccc1NC(=O)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000415943376 428633505 /nfs/dbraw/zinc/63/35/05/428633505.db2.gz LPJAUGBCOYAFGS-HOTGVXAUSA-N 2 0 316.449 2.544 20 0 DFADRP C[C@H]1CCCC[N@@H+]1CCCCNC(=O)Nc1ccc(C[NH3+])cc1 ZINC000415967189 428637238 /nfs/dbraw/zinc/63/72/38/428637238.db2.gz BDYLWJGQWASQSM-HNNXBMFYSA-N 2 0 318.465 2.921 20 0 DFADRP CCC[NH+]1CCC(N(C)C(=O)Nc2ccc(C[NH2+]C)cc2)CC1 ZINC000415970788 428637795 /nfs/dbraw/zinc/63/77/95/428637795.db2.gz IPFYEASYEOUIOK-UHFFFAOYSA-N 2 0 318.465 2.744 20 0 DFADRP CO[C@@]1(C)CCC[N@H+](Cc2cn(-c3cc[nH+]cc3)nc2C)CC1 ZINC000355602555 274073365 /nfs/dbraw/zinc/07/33/65/274073365.db2.gz VKKGSRIXMUHJAN-SFHVURJKSA-N 2 0 314.433 2.967 20 0 DFADRP CC[N@@H+]1CC[C@H](N(C)C(=O)Nc2cccc(C[NH2+]C)c2)C[C@H]1C ZINC000415948853 428635224 /nfs/dbraw/zinc/63/52/24/428635224.db2.gz YVDNOLWHOFVCCQ-PBHICJAKSA-N 2 0 318.465 2.743 20 0 DFADRP CC[NH2+]Cc1ccccc1NC(=O)N(C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000415956793 428635475 /nfs/dbraw/zinc/63/54/75/428635475.db2.gz OQVJLMYAMOPQIP-ZBFHGGJFSA-N 2 0 318.465 2.743 20 0 DFADRP C[NH2+]Cc1ccc(NC(=O)NC[C@H]2[N@H+](C)CCCC2(C)C)cc1 ZINC000416022813 428650740 /nfs/dbraw/zinc/65/07/40/428650740.db2.gz ZJSXFVDMPYEURK-MRXNPFEDSA-N 2 0 318.465 2.648 20 0 DFADRP CC[C@H](C)[C@H]([NH3+])C(=O)NC[C@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000353659692 428644765 /nfs/dbraw/zinc/64/47/65/428644765.db2.gz AQYCRVUCXZJIBU-LQKXBSAESA-N 2 0 323.506 2.621 20 0 DFADRP CCNC(=O)CC[NH+]1CCC(CC[N@H+](CC)CC(C)C)CC1 ZINC000358748009 428656507 /nfs/dbraw/zinc/65/65/07/428656507.db2.gz VEQMJTJPHCGXQO-UHFFFAOYSA-N 2 0 311.514 2.593 20 0 DFADRP CC(C)OC(=O)C[C@@H]1CCC[N@H+](CC[C@H]2CCCC[NH+]2C)C1 ZINC000362194712 428656750 /nfs/dbraw/zinc/65/67/50/428656750.db2.gz KBAJWKWKMDVAOD-DLBZAZTESA-N 2 0 310.482 2.915 20 0 DFADRP C[C@@H](CCc1ccc(F)cc1)[NH2+]CCCN1CCC[N@H+](C)CC1 ZINC000128679012 274210640 /nfs/dbraw/zinc/21/06/40/274210640.db2.gz VWGFWUZQAJIMJB-KRWDZBQOSA-N 2 0 321.484 2.764 20 0 DFADRP C[C@@H]([NH2+][C@@H]1Cc2ccccc2[C@@H]1O)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185716285 274259977 /nfs/dbraw/zinc/25/99/77/274259977.db2.gz HMFHDOJPXZBETO-FCNFAXOHSA-N 2 0 314.473 2.887 20 0 DFADRP Cn1cc2c(n1)CCC[C@@H]2[NH2+]Cc1ccc(F)c(C[NH+](C)C)c1 ZINC000358753350 428659409 /nfs/dbraw/zinc/65/94/09/428659409.db2.gz LNCLRYDHOSRAAQ-KRWDZBQOSA-N 2 0 316.424 2.788 20 0 DFADRP C[C@@H]1CC(C[NH2+][C@@H]2CC[N@H+](C[C@@H]3CCCO3)C[C@@H]2C)C[C@@H](C)O1 ZINC000367183374 274283229 /nfs/dbraw/zinc/28/32/29/274283229.db2.gz CHIQXZXLTDAEIB-AFQPOQBFSA-N 2 0 324.509 2.669 20 0 DFADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]C1CCN(c2ccccc2)CC1 ZINC000132759151 274340398 /nfs/dbraw/zinc/34/03/98/274340398.db2.gz VKSMLXDIROHMOO-GPMSIDNRSA-N 2 0 301.478 2.974 20 0 DFADRP C[C@@H]1CN(c2cc[nH+]c3ccccc32)CCN1C1CC[NH+](C)CC1 ZINC000374253979 428669675 /nfs/dbraw/zinc/66/96/75/428669675.db2.gz CIZXDSIQALYMLG-MRXNPFEDSA-N 2 0 324.472 2.840 20 0 DFADRP CO[C@]1(C)CCC[N@H+](C/C=C\C[NH+]2CCC[C@](C)(OC)C2)C1 ZINC000348235615 428670995 /nfs/dbraw/zinc/67/09/95/428670995.db2.gz MDCGKDCUNDDIEV-SPCWZHTESA-N 2 0 310.482 2.544 20 0 DFADRP c1cn2c(CN[C@H]3CC[N@@H+]4CCC[C@H]4C3)c(C3CC3)nc2s1 ZINC000362253578 428675362 /nfs/dbraw/zinc/67/53/62/428675362.db2.gz FRQQEBOTFFDAQX-KBPBESRZSA-N 2 0 316.474 2.990 20 0 DFADRP CC[C@@H]1C[N@H+](CC)CCN1C(=O)C[C@@H](c1ccccc1)[NH+](C)C ZINC000416242212 428698403 /nfs/dbraw/zinc/69/84/03/428698403.db2.gz FHXIWBNUZWEZKP-MSOLQXFVSA-N 2 0 317.477 2.622 20 0 DFADRP Cc1ccncc1C[N@@H+](C)C1CCN(Cc2ccncc2)CC1 ZINC000362343468 428712367 /nfs/dbraw/zinc/71/23/67/428712367.db2.gz VCDOFOSINSUHNG-UHFFFAOYSA-N 2 0 310.445 2.881 20 0 DFADRP CCCC[C@H]([NH3+])C(=O)Nc1cccc(CC[NH+]2CCCC2)c1 ZINC000353725484 428677835 /nfs/dbraw/zinc/67/78/35/428677835.db2.gz AIKHSRFOKSEUTF-KRWDZBQOSA-N 2 0 303.450 2.781 20 0 DFADRP OC[C@@H]1CCC[N@@H+]1CCCC[NH2+]C[C@H]1C[C@H]1c1ccccc1 ZINC000348263573 428684213 /nfs/dbraw/zinc/68/42/13/428684213.db2.gz LSARHOULRKMHSQ-QYZOEREBSA-N 2 0 302.462 2.617 20 0 DFADRP CC(C)[NH+]1CCC(O)(C[NH2+]Cc2ccc(F)cc2Cl)CC1 ZINC000344645025 428688547 /nfs/dbraw/zinc/68/85/47/428688547.db2.gz YCETWNUHWVMBHD-UHFFFAOYSA-N 2 0 314.832 2.804 20 0 DFADRP CC1(C)CCCN(CC[NH2+][C@H]2CCO[C@@H](C(F)(F)F)C2)C1 ZINC000348276166 428688845 /nfs/dbraw/zinc/68/88/45/428688845.db2.gz CXXUIGZIXUVMOP-QWHCGFSZSA-N 2 0 308.388 2.808 20 0 DFADRP C1C[C@]2(CO1)C[C@H]([NH2+]C1CC[NH+](C3CCCCC3)CC1)CCO2 ZINC000374525988 428694369 /nfs/dbraw/zinc/69/43/69/428694369.db2.gz DGCCLWYYPLLKDO-IEBWSBKVSA-N 2 0 322.493 2.711 20 0 DFADRP CC(C)[N@@H+](C)C[C@@H](C)NC(=O)C[C@@H](c1ccccc1)[NH+](C)C ZINC000416232392 428694557 /nfs/dbraw/zinc/69/45/57/428694557.db2.gz FOAJIJHLEJJFCX-WBVHZDCISA-N 2 0 305.466 2.524 20 0 DFADRP CCC[C@H]([NH3+])C(=O)NCC[C@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000353753638 428695857 /nfs/dbraw/zinc/69/58/57/428695857.db2.gz MCTLREPFHZMMQJ-SZMVWBNQSA-N 2 0 317.477 2.531 20 0 DFADRP CCS[C@H]1CCC[C@@H]1[NH2+]CCCN1CC[NH+](C(C)C)CC1 ZINC000348476031 428753820 /nfs/dbraw/zinc/75/38/20/428753820.db2.gz FVJYGYYBQIECBN-IRXDYDNUSA-N 2 0 313.555 2.666 20 0 DFADRP CSC1(C[N@H+](C)C[C@@H]2CCCN(C)[C@@H]2c2ccnn2C)CC1 ZINC000348489872 428758127 /nfs/dbraw/zinc/75/81/27/428758127.db2.gz HFLRKUHGBMXYSH-HOCLYGCPSA-N 2 0 322.522 2.630 20 0 DFADRP CC[C@H](C(=O)NCC[NH+](CC)C(C)C)[N@H+](C)Cc1ccccc1 ZINC000353907612 428772706 /nfs/dbraw/zinc/77/27/06/428772706.db2.gz RQEQFJMJLTUCJN-GOSISDBHSA-N 2 0 319.493 2.744 20 0 DFADRP CC(C)(C)[N@H+](CC(N)=O)Cc1cccc(C[NH+]2CCCCC2)c1 ZINC000411320169 428776822 /nfs/dbraw/zinc/77/68/22/428776822.db2.gz FQVPXJHMFHNWKC-UHFFFAOYSA-N 2 0 317.477 2.758 20 0 DFADRP Clc1ccc(/C=C/CN2CCN(Cc3ncc[nH]3)CC2)cc1 ZINC000353925014 428778654 /nfs/dbraw/zinc/77/86/54/428778654.db2.gz VFTKNQOOWYBTRF-OWOJBTEDSA-N 2 0 316.836 2.894 20 0 DFADRP COC(=O)C[C@@H]1CC[C@H]([NH2+]CCC[NH+]2C[C@H](C)C[C@@H](C)C2)[C@H]1C ZINC000353934845 428785375 /nfs/dbraw/zinc/78/53/75/428785375.db2.gz YOZOQGHNYIHICC-ZBRFXRBCSA-N 2 0 324.509 2.922 20 0 DFADRP C[N@H+](CCc1ccncc1)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000374785372 428750497 /nfs/dbraw/zinc/75/04/97/428750497.db2.gz VLTZJLVZFCHBTB-UHFFFAOYSA-N 2 0 310.445 2.868 20 0 DFADRP COCC[N@H+](C)CCCC1CC[NH+](Cc2c(C)n[nH]c2C)CC1 ZINC000354078366 428850183 /nfs/dbraw/zinc/85/01/83/428850183.db2.gz QIXMZYOXZTXAIY-UHFFFAOYSA-N 2 0 322.497 2.597 20 0 DFADRP COC[C@@H](C)[NH2+][C@@H]1CC2(CC[NH+](C)CC2)Oc2ccccc21 ZINC000375020245 428794865 /nfs/dbraw/zinc/79/48/65/428794865.db2.gz MQCAOYNKYLBSSN-GDBMZVCRSA-N 2 0 304.434 2.599 20 0 DFADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NCC(C)(C)[NH+](C)C ZINC000362806359 428806357 /nfs/dbraw/zinc/80/63/57/428806357.db2.gz NHHUAUPTOYIPCI-SJLPKXTDSA-N 2 0 303.494 2.827 20 0 DFADRP CCCC[C@@H]1CCC[C@H]1[NH2+]CC(=O)NC1CC[NH+](CC)CC1 ZINC000411522185 428810283 /nfs/dbraw/zinc/81/02/83/428810283.db2.gz VRWYCAOGRMZWHO-NVXWUHKLSA-N 2 0 309.498 2.535 20 0 DFADRP CC(C)[C@@H]1CCCC[C@H]1[NH2+]CC(=O)NC1CC[NH+](C(C)C)CC1 ZINC000411520583 428811091 /nfs/dbraw/zinc/81/10/91/428811091.db2.gz QPDBTRPROOJOIS-ZWKOTPCHSA-N 2 0 323.525 2.780 20 0 DFADRP CC(C)[NH+]1CCC(NC(=O)C[NH2+]C(C)(C)c2cccs2)CC1 ZINC000411540708 428813809 /nfs/dbraw/zinc/81/38/09/428813809.db2.gz ZKPKPRBBJPDAAT-UHFFFAOYSA-N 2 0 323.506 2.562 20 0 DFADRP O[C@@H]1CCC[C@H]1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000345259367 428818716 /nfs/dbraw/zinc/81/87/16/428818716.db2.gz SXMZPGOSPFRUNI-FCFHUKJJSA-N 2 0 314.473 2.933 20 0 DFADRP O[C@H]1CCC[C@H]1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000345259363 428819048 /nfs/dbraw/zinc/81/90/48/428819048.db2.gz SXMZPGOSPFRUNI-BGVWBIDGSA-N 2 0 314.473 2.933 20 0 DFADRP CC[NH+](CC)C[C@@H]1CCCC[C@H]1NC(=O)CC1CC[NH+](C)CC1 ZINC000362952301 428820886 /nfs/dbraw/zinc/82/08/86/428820886.db2.gz QQGURKIKZLAWQC-ZWKOTPCHSA-N 2 0 323.525 2.735 20 0 DFADRP C[C@@H]1CC[N@H+](Cc2cccc(C[NH+]3CCCCC3)c2)[C@H]1CO ZINC000411620001 428824184 /nfs/dbraw/zinc/82/41/84/428824184.db2.gz PJIDKLZSVOEUPN-APWZRJJASA-N 2 0 302.462 2.875 20 0 DFADRP CC(C)(C)CC(=O)N1CCC([NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)CC1 ZINC000359119209 428824572 /nfs/dbraw/zinc/82/45/72/428824572.db2.gz WWTWATKVUMOKRM-IRXDYDNUSA-N 2 0 321.509 2.630 20 0 DFADRP Cc1cc(-n2ccnc2)ccc1C[N@H+]1CC[C@@H]2CCN(C)C[C@H]21 ZINC000375229831 428827517 /nfs/dbraw/zinc/82/75/17/428827517.db2.gz POYJSAVQOQAWHL-QFBILLFUSA-N 2 0 310.445 2.707 20 0 DFADRP C[C@H]1[C@@H](CO)CC[N@@H+]1Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000411655609 428833132 /nfs/dbraw/zinc/83/31/32/428833132.db2.gz LNPOOMQATMIUSQ-QFBILLFUSA-N 2 0 302.462 2.875 20 0 DFADRP CC[N@@H+]1CCC[C@H]1CNC(=O)[C@@H](c1cccc(Cl)c1)N(C)C ZINC000348799418 428843412 /nfs/dbraw/zinc/84/34/12/428843412.db2.gz JZGZHXIONJFISW-JKSUJKDBSA-N 2 0 323.868 2.543 20 0 DFADRP C[N@H+](CCC1CC[NH2+]CC1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000359188499 428858210 /nfs/dbraw/zinc/85/82/10/428858210.db2.gz KTGPMMBEQBAXAS-FQEVSTJZSA-N 3 0 315.505 2.830 20 0 DFADRP C[NH+](C)CC1(CNC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)CCCC1 ZINC000354091144 428858293 /nfs/dbraw/zinc/85/82/93/428858293.db2.gz IHMZMBVSYFZGEY-KRWDZBQOSA-N 2 0 321.509 2.632 20 0 DFADRP CCO[C@@H]1COC[C@H]1[NH2+]Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000411805480 428860589 /nfs/dbraw/zinc/86/05/89/428860589.db2.gz TUEZWGLSYSBBBT-RTBURBONSA-N 2 0 318.461 2.566 20 0 DFADRP COCC[N@H+](CCOc1ccc(F)cc1)CCC1CC[NH2+]CC1 ZINC000359211865 428865963 /nfs/dbraw/zinc/86/59/63/428865963.db2.gz MXVJOLLQZDMWMZ-UHFFFAOYSA-N 2 0 324.440 2.543 20 0 DFADRP Cc1cccc(NC[C@H]2CC[N@H+](CCC3CC[NH2+]CC3)C2)n1 ZINC000359210412 428866504 /nfs/dbraw/zinc/86/65/04/428866504.db2.gz BYWRERITNAPNPB-QGZVFWFLSA-N 2 0 302.466 2.514 20 0 DFADRP CC1(C)C[C@@H]([NH2+]C[C@H]2CC[N@H+](CCc3ccccc3)C2)CO1 ZINC000417893145 428871081 /nfs/dbraw/zinc/87/10/81/428871081.db2.gz DVZLZNCQJVWEIS-QZTJIDSGSA-N 2 0 302.462 2.708 20 0 DFADRP C[C@H]1C[NH+](CC2CC[NH+](CCCCCF)CC2)C[C@H](C)O1 ZINC000375393123 428872975 /nfs/dbraw/zinc/87/29/75/428872975.db2.gz XLXCWLAVRJXZRW-HOTGVXAUSA-N 2 0 300.462 2.947 20 0 DFADRP COC(=O)[C@]12C[N@H+](CC[C@@H]3CCCC[NH+]3C)C[C@H]1CCCC2 ZINC000375398205 428873983 /nfs/dbraw/zinc/87/39/83/428873983.db2.gz UPPDMQTYMBXNQI-SOLBZPMBSA-N 2 0 308.466 2.526 20 0 DFADRP C[N@H+](CCC1CC[NH2+]CC1)CC(=O)Nc1cccc(Cl)c1 ZINC000359223757 428874337 /nfs/dbraw/zinc/87/43/37/428874337.db2.gz ZSUMEAMHWWRQAG-UHFFFAOYSA-N 2 0 309.841 2.600 20 0 DFADRP C[C@H]1C[N@H+](CCC2CC[NH2+]CC2)C[C@@H](c2ccc(F)cc2)O1 ZINC000359229815 428877014 /nfs/dbraw/zinc/87/70/14/428877014.db2.gz ZLBSROOEQIBEPZ-KSSFIOAISA-N 2 0 306.425 2.977 20 0 DFADRP C[NH+](C)[C@@H]1CCN(CC(C)(C)C[N@H+](C)Cc2ccccc2)C1 ZINC000348965230 428888890 /nfs/dbraw/zinc/88/88/90/428888890.db2.gz LSFBHKIBONYQTB-GOSISDBHSA-N 2 0 303.494 2.781 20 0 DFADRP CC(C)C[C@@H](C[NH2+]C[C@@H](O)C[NH+]1CCCC1)c1ccccc1 ZINC000354211699 428917730 /nfs/dbraw/zinc/91/77/30/428917730.db2.gz NMXCFJWKIRCLCR-RBUKOAKNSA-N 2 0 304.478 2.863 20 0 DFADRP CC[N@@H+]1CC[C@H]([NH+](C)CCC(=O)Nc2ccccc2)C[C@@H]1C ZINC000354212006 428918615 /nfs/dbraw/zinc/91/86/15/428918615.db2.gz ZBHBPSCQTJEIRJ-RDJZCZTQSA-N 2 0 303.450 2.820 20 0 DFADRP CC(C)[C@@H]1OCC[C@@H]1C[NH2+][C@@H]1CC[N@H+](C[C@@H]2CCCO2)C[C@H]1C ZINC000363538179 428938137 /nfs/dbraw/zinc/93/81/37/428938137.db2.gz NZCTULLHXOHXOO-FQBWVUSXSA-N 2 0 324.509 2.527 20 0 DFADRP CC(C)[C@@H]1OCC[C@@H]1C[NH2+][C@@H]1CC[N@H+](C[C@H]2CCCO2)C[C@H]1C ZINC000363538180 428938231 /nfs/dbraw/zinc/93/82/31/428938231.db2.gz NZCTULLHXOHXOO-NNIGNNQHSA-N 2 0 324.509 2.527 20 0 DFADRP Cc1cc([C@H]([NH2+]C[C@H](C)N2CC[NH+](C)CC2)C2CC2)ccc1F ZINC000359375166 428944749 /nfs/dbraw/zinc/94/47/49/428944749.db2.gz RYJBGJYYPAVYCN-HNAYVOBHSA-N 2 0 319.468 2.811 20 0 DFADRP C[C@@H](C(=O)NC1CC[NH+](C2CCCC2)CC1)[NH+]1CCCCCC1 ZINC000363598515 428949995 /nfs/dbraw/zinc/94/99/95/428949995.db2.gz AFWMQDLZRGFIEE-INIZCTEOSA-N 2 0 321.509 2.774 20 0 DFADRP c1cc(-c2ccc(CN3C[C@@H]4C[N@@H+]5CCCC[C@H]5[C@H]4C3)o2)n[nH]1 ZINC000375755795 428962936 /nfs/dbraw/zinc/96/29/36/428962936.db2.gz GADNDIGNTUHKBH-KMFMINBZSA-N 2 0 312.417 2.586 20 0 DFADRP C[C@@H]1CCC[C@H]([NH+]2CCC([NH2+]CC[C@H](O)C(F)(F)F)CC2)C1 ZINC000349331571 428964237 /nfs/dbraw/zinc/96/42/37/428964237.db2.gz LVAFNNYUHJDTMP-SNPRPXQTSA-N 2 0 322.415 2.932 20 0 DFADRP Cn1cc([C@H]2[C@H](C[N@H+](C)CCOC(C)(C)C)CCCN2C)cn1 ZINC000375774382 428967182 /nfs/dbraw/zinc/96/71/82/428967182.db2.gz BPNXJEAMLOWKLC-DOTOQJQBSA-N 2 0 322.497 2.550 20 0 DFADRP C[C@H]1[C@H]([NH2+]CCC2=CC[NH2+]CC2)CCCN1Cc1ccccc1 ZINC000423540138 428968286 /nfs/dbraw/zinc/96/82/86/428968286.db2.gz PYQNXLCRABXHJI-FXAWDEMLSA-N 2 0 313.489 2.939 20 0 DFADRP C[C@H](Cc1ccccc1)[NH+]1CCC(N[C@H]2CCCC[NH2+]C2)CC1 ZINC000423544343 428969859 /nfs/dbraw/zinc/96/98/59/428969859.db2.gz CNZACXKUBKZDQY-XLIONFOSSA-N 2 0 315.505 2.814 20 0 DFADRP Cc1ccc([C@H]([NH3+])C(=O)N(C)CC[N@H+](C)C2CCCCC2)cc1 ZINC000423768287 429014932 /nfs/dbraw/zinc/01/49/32/429014932.db2.gz XANXUIWGPBPXCR-SFHVURJKSA-N 2 0 317.477 2.718 20 0 DFADRP CC(C)[NH+]1CCN([C@H]2CC[N@H+](Cc3cccc(Cl)c3)C2)CC1 ZINC000375907432 429014975 /nfs/dbraw/zinc/01/49/75/429014975.db2.gz SCGAJTMHDQSNGA-SFHVURJKSA-N 2 0 321.896 2.940 20 0 DFADRP C[N@H+](CC1CCN(c2cc[nH+]cc2)CC1)C[C@H]1CCCOC1 ZINC000354889289 429017591 /nfs/dbraw/zinc/01/75/91/429017591.db2.gz YWAZAVVHEIUOKZ-QGZVFWFLSA-N 2 0 303.450 2.656 20 0 DFADRP C[NH+](C)CCN(Cc1cccs1)C(=O)C[C@@H]1CCCC[C@@H]1[NH3+] ZINC000423776658 429017663 /nfs/dbraw/zinc/01/76/63/429017663.db2.gz QOLGIODDAKCUSL-HOCLYGCPSA-N 2 0 323.506 2.546 20 0 DFADRP Cc1cc(C[NH+](C)C)cc(NC(=O)CC2C[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC000423787305 429018397 /nfs/dbraw/zinc/01/83/97/429018397.db2.gz QYOOJLXBMLMXHF-ZXFUBFMLSA-N 2 0 315.461 2.916 20 0 DFADRP [NH3+]C[C@H]1CCCN1Cc1c(-c2ccccc2)nc2ccccn21 ZINC000433495122 429034776 /nfs/dbraw/zinc/03/47/76/429034776.db2.gz ZRLFWIZUEATTNI-MRXNPFEDSA-N 2 0 306.413 2.924 20 0 DFADRP C[NH+](C)[C@H](CC(=O)NCC[N@H+](C)C1CCCC1)c1ccccc1 ZINC000433343966 429025889 /nfs/dbraw/zinc/02/58/89/429025889.db2.gz PSGPKOUSMSGTED-GOSISDBHSA-N 2 0 317.477 2.670 20 0 DFADRP CC[NH+](CC)[C@@H]1CCN(C(=O)C[C@H](c2ccccc2)[NH+](C)C)C1 ZINC000433372200 429027435 /nfs/dbraw/zinc/02/74/35/429027435.db2.gz DGIJRDCFPDFGQE-QZTJIDSGSA-N 2 0 317.477 2.622 20 0 DFADRP C[C@@H](C(=O)Nc1cccc2c1C[NH2+]CC2)[C@@H]([NH3+])c1ccccc1 ZINC000375964089 429028789 /nfs/dbraw/zinc/02/87/89/429028789.db2.gz MNUGPDVETLFRLH-FZKQIMNGSA-N 2 0 309.413 2.607 20 0 DFADRP CC[NH+]1CCN(CC(C)(C)[NH2+]CCCSCC(C)C)CC1 ZINC000451977920 429032628 /nfs/dbraw/zinc/03/26/28/429032628.db2.gz FCYJSTXOJWQKOH-UHFFFAOYSA-N 2 0 315.571 2.771 20 0 DFADRP CCOc1ccccc1[C@H](C)[NH2+][C@@H](C)CCN1CC[NH+](C)CC1 ZINC000349383505 428977350 /nfs/dbraw/zinc/97/73/50/428977350.db2.gz VBBSEUQVLQDUBL-IRXDYDNUSA-N 2 0 319.493 2.762 20 0 DFADRP COC[C@H]([NH2+]C1CC[NH+]([C@@H]2CCC[C@H](C)C2)CC1)[C@H]1CCCO1 ZINC000433012388 428981451 /nfs/dbraw/zinc/98/14/51/428981451.db2.gz KHLYHQMFSBSAOQ-WZGPROSRSA-N 2 0 324.509 2.813 20 0 DFADRP CC(C)NC(=O)CC[N@@H+]1CCC[C@@H](n2ccnc2C(C)C)C1 ZINC000375815962 428983910 /nfs/dbraw/zinc/98/39/10/428983910.db2.gz RDMNMMULXHKZFE-OAHLLOKOSA-N 2 0 306.454 2.558 20 0 DFADRP Cc1ccsc1C[NH+]1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000349421731 428984733 /nfs/dbraw/zinc/98/47/33/428984733.db2.gz TXLMKIRIXCYOFY-SJPCQFCGSA-N 2 0 319.518 2.799 20 0 DFADRP C[C@@H]1C[C@H]([NH2+]CC2(CO)CC(c3ccccc3)C2)CC[N@@H+]1C ZINC000433086006 428994169 /nfs/dbraw/zinc/99/41/69/428994169.db2.gz YGLACKUWKDMPPC-ZTRSQXPZSA-N 2 0 302.462 2.615 20 0 DFADRP C[N@@H+]1CC[C@H]([NH2+]Cc2cccc(Cn3cccn3)c2)[C@H]2CCC[C@H]21 ZINC000375850737 428996768 /nfs/dbraw/zinc/99/67/68/428996768.db2.gz JZKOYTKTUVTRGH-HSALFYBXSA-N 2 0 324.472 2.894 20 0 DFADRP CC[C@@H](C(=O)NCCC[C@H]1CCC[NH2+]1)[N@H+](C)Cc1ccccc1 ZINC000423696641 428998274 /nfs/dbraw/zinc/99/82/74/428998274.db2.gz IHQCRGTVSQPSRY-MSOLQXFVSA-N 2 0 317.477 2.545 20 0 DFADRP CC[C@@H](C(=O)NCCC[C@@H]1CCC[NH2+]1)[N@H+](C)Cc1ccccc1 ZINC000423696644 428998369 /nfs/dbraw/zinc/99/83/69/428998369.db2.gz IHQCRGTVSQPSRY-ROUUACIJSA-N 2 0 317.477 2.545 20 0 DFADRP [NH3+]C1CC[NH+](CCCC(=O)N(CC2CC2)C2CCCCC2)CC1 ZINC000433129296 428999032 /nfs/dbraw/zinc/99/90/32/428999032.db2.gz DBFQYLIJBIJWHZ-UHFFFAOYSA-N 2 0 321.509 2.761 20 0 DFADRP C[C@H]1CCC[C@@H](CCNC(=O)CCC[NH+]2CCC([NH3+])CC2)C1 ZINC000433133578 428999118 /nfs/dbraw/zinc/99/91/18/428999118.db2.gz ZFZBVTFSGIUXPN-HOTGVXAUSA-N 2 0 309.498 2.522 20 0 DFADRP C[C@H]1CCCC[C@@H]1CCNC(=O)CCC[NH+]1CCC([NH3+])CC1 ZINC000433133711 428999192 /nfs/dbraw/zinc/99/91/92/428999192.db2.gz ZMQCNLYCRBPUNO-JKSUJKDBSA-N 2 0 309.498 2.522 20 0 DFADRP CCC[C@H]1CCC[C@H]1[NH2+]Cc1ccnc(N2CC[NH+](C)CC2)c1 ZINC000433152231 429001755 /nfs/dbraw/zinc/00/17/55/429001755.db2.gz QQYZYXMUBOCFMG-ZWKOTPCHSA-N 2 0 316.493 2.892 20 0 DFADRP [NH3+]C1CC[NH+](CCCC(=O)Nc2cccc(C(F)F)c2)CC1 ZINC000433145163 429001827 /nfs/dbraw/zinc/00/18/27/429001827.db2.gz PGGWINMOQKLBTC-UHFFFAOYSA-N 2 0 311.376 2.766 20 0 DFADRP Cc1cc2cc(NC(=O)CCC[NH+]3CCC([NH3+])CC3)ccc2[nH]1 ZINC000433144227 429001991 /nfs/dbraw/zinc/00/19/91/429001991.db2.gz LHZZCCFGCLVGHD-UHFFFAOYSA-N 2 0 314.433 2.618 20 0 DFADRP CC(C)[C@H]1CCCC[C@@H]1NC(=O)CCC[NH+]1CCC([NH3+])CC1 ZINC000433157912 429003271 /nfs/dbraw/zinc/00/32/71/429003271.db2.gz OCJLEIAQBUUSPQ-SJORKVTESA-N 2 0 309.498 2.521 20 0 DFADRP C[C@H]([NH3+])c1ccc(C(=O)NCc2ccc(C[NH+](C)C)cc2)cc1 ZINC000423724472 429003994 /nfs/dbraw/zinc/00/39/94/429003994.db2.gz IHGSAWRTMQGVIJ-AWEZNQCLSA-N 2 0 311.429 2.698 20 0 DFADRP c1ccc([C@H]2C[C@@H]2C[NH+]2CCN(CC[NH+]3CCCC3)CC2)cc1 ZINC000349561344 429005530 /nfs/dbraw/zinc/00/55/30/429005530.db2.gz IHUZYYGOZUWRDY-WOJBJXKFSA-N 2 0 313.489 2.504 20 0 DFADRP C[NH+](C)CC1CCC(NC(=O)[C@@H]2CCCCCC[C@H]2[NH3+])CC1 ZINC000423745737 429006160 /nfs/dbraw/zinc/00/61/60/429006160.db2.gz MTJQLQJMLADJOM-BHUNQDJPSA-N 2 0 309.498 2.521 20 0 DFADRP C[N@@H+]1CC[C@H]([NH2+]CCc2cnn(-c3ccccc3)c2)[C@H]2CCC[C@H]21 ZINC000375888800 429007039 /nfs/dbraw/zinc/00/70/39/429007039.db2.gz MWDTWYXUTHOONR-HSALFYBXSA-N 2 0 324.472 2.877 20 0 DFADRP C[C@@H]([NH3+])CC(=O)N(CC[NH+]1CCCC1)Cc1ccc(Cl)cc1 ZINC000423757450 429011540 /nfs/dbraw/zinc/01/15/40/429011540.db2.gz MJOMLAMLPOSCQT-CQSZACIVSA-N 2 0 323.868 2.502 20 0 DFADRP C[C@H](CC1CCCCC1)NC(=O)CCC[NH+]1CCC([NH3+])CC1 ZINC000423768462 429012895 /nfs/dbraw/zinc/01/28/95/429012895.db2.gz YHKAPDGKABMTEF-OAHLLOKOSA-N 2 0 309.498 2.665 20 0 DFADRP CC(C)[NH+]1CCN([C@H]2CC[N@@H+]([C@H](C)c3ccccc3F)C2)CC1 ZINC000375905724 429012928 /nfs/dbraw/zinc/01/29/28/429012928.db2.gz NSDMIGJLRWCGHY-SJORKVTESA-N 2 0 319.468 2.987 20 0 DFADRP CCCC[N@H+](C)C[C@H](C)NC(=O)[C@H](C)[C@@H]([NH3+])c1ccccc1 ZINC000423768693 429013806 /nfs/dbraw/zinc/01/38/06/429013806.db2.gz FOSQBEBWUQWCDM-ZMSDIMECSA-N 2 0 305.466 2.559 20 0 DFADRP C[NH+](C)[C@@H]1CCCN(C(=O)C(C)(C)[C@H]([NH3+])c2ccccc2)CC1 ZINC000423774177 429014338 /nfs/dbraw/zinc/01/43/38/429014338.db2.gz KSVCYCXRWLMPCY-IAGOWNOFSA-N 2 0 317.477 2.655 20 0 DFADRP Cc1c([C@H](C)[NH2+][C@H](C)CCCC[NH3+])nnn1-c1ccc(F)cc1 ZINC000423439443 429089499 /nfs/dbraw/zinc/08/94/99/429089499.db2.gz SHDPFASPYJTQDO-OLZOCXBDSA-N 2 0 319.428 2.883 20 0 DFADRP COc1ccc([C@H](C)[NH2+]C[C@@H]2CCC[C@@H]([NH3+])C2)cc1NC(C)=O ZINC000423454670 429090173 /nfs/dbraw/zinc/09/01/73/429090173.db2.gz CZUDWZONMSHPOQ-JGGQBBKZSA-N 2 0 319.449 2.822 20 0 DFADRP C[C@H]([NH2+]C[C@@H]1CCC[C@H]([NH3+])C1)c1cccc(N2CCCC2=O)c1 ZINC000423462920 429091062 /nfs/dbraw/zinc/09/10/62/429091062.db2.gz PTDOHEIJAUBYRW-UXLLHSPISA-N 2 0 315.461 2.982 20 0 DFADRP C[C@H]([NH2+]C[C@H]1CCC[C@@H]([NH3+])C1)c1cccc(N2CCCC2=O)c1 ZINC000423462921 429091074 /nfs/dbraw/zinc/09/10/74/429091074.db2.gz PTDOHEIJAUBYRW-YQQAZPJKSA-N 2 0 315.461 2.982 20 0 DFADRP C[C@@H]([NH2+][C@@H](C)CCC[NH3+])c1ncc(Br)cc1F ZINC000423455704 429091308 /nfs/dbraw/zinc/09/13/08/429091308.db2.gz MZTROIYROIXLFH-DTWKUNHWSA-N 2 0 304.207 2.761 20 0 DFADRP CN(Cc1cccnc1)C[C@H]1CC[N@H+](CC[C@@H]2CCCCO2)C1 ZINC000434499349 429092417 /nfs/dbraw/zinc/09/24/17/429092417.db2.gz YAGRMQUDUNMJSO-MOPGFXCFSA-N 2 0 317.477 2.795 20 0 DFADRP CC[C@H]([NH3+])CN[C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000423471680 429092852 /nfs/dbraw/zinc/09/28/52/429092852.db2.gz PVDULXPOVAPDHH-YDZRNGNQSA-N 2 0 301.478 2.614 20 0 DFADRP C[C@@H]([NH2+]C[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1)[C@@H]1CCOC1 ZINC000423478627 429094366 /nfs/dbraw/zinc/09/43/66/429094366.db2.gz UEWNKEOKGWLAPN-NYCLONFESA-N 2 0 306.425 2.533 20 0 DFADRP C[C@@H](CNC(=O)CC[C@@H]([NH3+])CC1CCCCC1)C[NH+]1CCCC1 ZINC000424125911 429094383 /nfs/dbraw/zinc/09/43/83/429094383.db2.gz AXBOEEFKEZECOK-FUHWJXTLSA-N 2 0 323.525 2.912 20 0 DFADRP CC1CC[NH+](CCc2cccc(NC(=O)CCC[NH3+])c2)CC1 ZINC000423842695 429035592 /nfs/dbraw/zinc/03/55/92/429035592.db2.gz KDRPWZZTGZOVHS-UHFFFAOYSA-N 2 0 303.450 2.638 20 0 DFADRP CC1CC[NH+](CCc2cccc(NC(=O)[C@H]3CC[NH2+]C3)c2)CC1 ZINC000423844112 429036568 /nfs/dbraw/zinc/03/65/68/429036568.db2.gz LNHABSMEXGKFPN-KRWDZBQOSA-N 2 0 315.461 2.509 20 0 DFADRP COC(=O)Nc1cccc(C[NH2+][C@@H]2CC[N@H+](C)[C@H]3CCC[C@H]32)c1 ZINC000376063157 429051507 /nfs/dbraw/zinc/05/15/07/429051507.db2.gz XZLJNIBBYZUUKM-BBWFWOEESA-N 2 0 317.433 2.827 20 0 DFADRP C[NH2+]C[C@H](C)C[NH2+][C@@H]1CCCc2ncc(C(F)(F)F)cc21 ZINC000423282442 429055773 /nfs/dbraw/zinc/05/57/73/429055773.db2.gz WORNZTBZWIQEIM-GXFFZTMASA-N 2 0 301.356 2.923 20 0 DFADRP COc1ccc([C@H](C)[NH2+][C@@H]2CCCC[C@@H]2C[NH3+])cc1NC(C)=O ZINC000423277532 429056202 /nfs/dbraw/zinc/05/62/02/429056202.db2.gz OJVWDKZIBYGVQG-APHBMKBZSA-N 2 0 319.449 2.822 20 0 DFADRP COc1ccccc1NC(=O)C[C@H](C)[NH2+][C@H]1CCCC[C@H]1C[NH3+] ZINC000423285252 429057511 /nfs/dbraw/zinc/05/75/11/429057511.db2.gz YYLHRNWUNOSTPJ-KKUMJFAQSA-N 2 0 319.449 2.519 20 0 DFADRP CCO[C@@H]1C[C@H]([NH2+]Cc2ccc([C@@H](C)[NH3+])cc2)C12CCOCC2 ZINC000423291613 429057810 /nfs/dbraw/zinc/05/78/10/429057810.db2.gz IYMSXOBQQAYQSX-FHLIZLRMSA-N 2 0 318.461 2.770 20 0 DFADRP COc1ccc2c(c1)C[C@H]([NH2+]Cc1ccc([C@H](C)[NH3+])cc1)CO2 ZINC000423291782 429058893 /nfs/dbraw/zinc/05/88/93/429058893.db2.gz JVAAQYHKYYHQJS-GUYCJALGSA-N 2 0 312.413 2.808 20 0 DFADRP CC(C)(C(=O)NCCC[NH+]1CCCCC1)[C@H]([NH3+])c1ccccc1 ZINC000423306619 429060061 /nfs/dbraw/zinc/06/00/61/429060061.db2.gz FDTOLVJBDHRKCO-QGZVFWFLSA-N 2 0 317.477 2.705 20 0 DFADRP Clc1ccccc1C[C@@H](N[C@H]1CCC[NH2+]C1)[C@H]1CCCO1 ZINC000423309393 429060336 /nfs/dbraw/zinc/06/03/36/429060336.db2.gz ZKZKZUKBKMQAIP-USXIJHARSA-N 2 0 308.853 2.772 20 0 DFADRP CCc1ccc([C@H](CNC(=O)[C@@H](C(C)C)[C@@H](C)[NH3+])[NH+](C)C)cc1 ZINC000423310831 429060693 /nfs/dbraw/zinc/06/06/93/429060693.db2.gz SIIAXYGSFZUCHM-JLSDUUJJSA-N 2 0 319.493 2.587 20 0 DFADRP CC(C)(CNC(=O)C1C[C@H]2CCC[C@@H](C1)C2[NH3+])[NH+]1CCCCC1 ZINC000376123492 429061186 /nfs/dbraw/zinc/06/11/86/429061186.db2.gz SPVFMGGNQIOEMP-RYTJFDOTSA-N 2 0 321.509 2.521 20 0 DFADRP CC[NH+](CC)C[C@@H](C)NC(=O)CC[C@@H]([NH3+])CC1CCCCC1 ZINC000424134397 429096977 /nfs/dbraw/zinc/09/69/77/429096977.db2.gz NOBJRXDRLKKPLY-NVXWUHKLSA-N 2 0 311.514 2.911 20 0 DFADRP CC1CC[NH+](Cc2ccc(NC(=O)[C@@H]([NH3+])C3CCC3)cc2)CC1 ZINC000423326636 429064906 /nfs/dbraw/zinc/06/49/06/429064906.db2.gz JKYNTZRQYLRNJQ-SFHVURJKSA-N 2 0 315.461 2.984 20 0 DFADRP Brc1ccccc1C[C@@H]([NH2+]CC1C[NH2+]C1)C1CC1 ZINC000423323110 429065457 /nfs/dbraw/zinc/06/54/57/429065457.db2.gz OHJGUQBKSWNBSP-OAHLLOKOSA-N 2 0 309.251 2.579 20 0 DFADRP C[C@H]([NH2+]CC1(C)CC[NH2+]CC1)c1cccc(N2CCOCC2)c1 ZINC000423334658 429067471 /nfs/dbraw/zinc/06/74/71/429067471.db2.gz QZFVZHHQXAAAGW-INIZCTEOSA-N 2 0 317.477 2.564 20 0 DFADRP C[C@@H]1CC[NH2+][C@@H](C(=O)Nc2cccc(C[NH+]3CCCCC3)c2)C1 ZINC000423340925 429067820 /nfs/dbraw/zinc/06/78/20/429067820.db2.gz WAORXOQJAAIQDP-CRAIPNDOSA-N 2 0 315.461 2.999 20 0 DFADRP C[C@H]([NH2+]CC1=CC[NH2+]CC1)c1nc2ccc(Cl)cc2n1C ZINC000423335597 429068386 /nfs/dbraw/zinc/06/83/86/429068386.db2.gz GNXCOROAHQBFTP-NSHDSACASA-N 2 0 304.825 2.797 20 0 DFADRP COc1ccc([C@H](Cc2ccncc2)[NH2+]C[C@H]2CC[NH2+]C2)cc1 ZINC000423339642 429068683 /nfs/dbraw/zinc/06/86/83/429068683.db2.gz LLNIFHHOXKTZIN-LPHOPBHVSA-N 2 0 311.429 2.573 20 0 DFADRP C[C@H](CNC(=O)[C@H]([NH3+])CC1CCCCC1)[N@@H+]1CCC[C@@H](C)C1 ZINC000423343724 429069177 /nfs/dbraw/zinc/06/91/77/429069177.db2.gz XDKJXSABGZSVPN-BFYDXBDKSA-N 2 0 309.498 2.521 20 0 DFADRP COc1ccc(C[C@@H](C)[NH2+]C[C@@]2(C)CCC[NH2+]C2)c(C)c1OC ZINC000423349253 429069467 /nfs/dbraw/zinc/06/94/67/429069467.db2.gz VFSADICIXXRBBT-KUHUBIRLSA-N 2 0 320.477 2.923 20 0 DFADRP COc1cc2c(cc1OC)[C@H]([NH2+]C[C@]1(C)CCC[NH2+]C1)CC2 ZINC000423346082 429069705 /nfs/dbraw/zinc/06/97/05/429069705.db2.gz PMPSAFKJXXECSG-CRAIPNDOSA-N 2 0 304.434 2.670 20 0 DFADRP COc1ccc(C[C@H](C)[NH2+]C[C@]2(C)CCC[NH2+]C2)c(C)c1OC ZINC000423349252 429069882 /nfs/dbraw/zinc/06/98/82/429069882.db2.gz VFSADICIXXRBBT-IFXJQAMLSA-N 2 0 320.477 2.923 20 0 DFADRP C[C@H]([NH2+]CC1=CC[NH2+]CC1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000423348551 429070222 /nfs/dbraw/zinc/07/02/22/429070222.db2.gz UCVBBEKHMMKXNC-ZDUSSCGKSA-N 2 0 314.433 2.541 20 0 DFADRP Fc1ccc([C@@H](C[C@H]2CCCO2)[NH2+]CC2=CC[NH2+]CC2)cc1 ZINC000423357316 429071336 /nfs/dbraw/zinc/07/13/36/429071336.db2.gz SFISSELZIMPNAN-QZTJIDSGSA-N 2 0 304.409 2.945 20 0 DFADRP C[C@H]([NH3+])c1ccc(C(=O)NC[C@H](C)[NH+]2CCC(C)CC2)cc1 ZINC000423361267 429072881 /nfs/dbraw/zinc/07/28/81/429072881.db2.gz RJVCAGUITTZASO-GJZGRUSLSA-N 2 0 303.450 2.557 20 0 DFADRP COc1cc(C)c(C[C@H](C)[NH2+]CC[C@H]2CCC[NH2+]2)cc1OC ZINC000423354325 429072911 /nfs/dbraw/zinc/07/29/11/429072911.db2.gz CRQCJJOWGGYDNN-GOEBONIOSA-N 2 0 306.450 2.675 20 0 DFADRP CC(C)[C@@H](C(=O)NCC(C)(C)[NH2+][C@@H](C)c1ccccc1)[C@@H](C)[NH3+] ZINC000423367827 429073545 /nfs/dbraw/zinc/07/35/45/429073545.db2.gz AQZYZWDKJNGUTO-HLLBOEOZSA-N 2 0 319.493 2.851 20 0 DFADRP COc1ccc(C[C@H](C)[NH2+][C@@H]2CCC[C@@H]([NH3+])C2)c(C)c1OC ZINC000423371346 429074627 /nfs/dbraw/zinc/07/46/27/429074627.db2.gz QEZGCAWUPCKLNA-APHBMKBZSA-N 2 0 306.450 2.803 20 0 DFADRP C[C@@H](CC(=O)N1CCCCCC1)[NH2+]Cc1ccc2c(c1)C[NH2+]C2 ZINC000423367544 429074812 /nfs/dbraw/zinc/07/48/12/429074812.db2.gz CQSZGUPQKQTHCD-HNNXBMFYSA-N 2 0 315.461 2.561 20 0 DFADRP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NCC[C@H]1CCC[NH2+]1 ZINC000423366786 429074829 /nfs/dbraw/zinc/07/48/29/429074829.db2.gz QJOUDSOKEZIOKR-QXAKKESOSA-N 2 0 301.478 2.629 20 0 DFADRP c1cc(C[NH2+][C@@H]2CCC[C@H]([C@H]3CCOC3)C2)cc2c1C[NH2+]C2 ZINC000423368976 429075061 /nfs/dbraw/zinc/07/50/61/429075061.db2.gz DPCKFTGVGOUUPG-VDZJLULYSA-N 2 0 300.446 2.975 20 0 DFADRP C[C@@H]1C[C@@H]([NH2+]C2CCN(c3ccc(F)cc3F)CC2)CC[NH2+]1 ZINC000423380805 429076365 /nfs/dbraw/zinc/07/63/65/429076365.db2.gz OCHLIODLSFJKKL-DOMZBBRYSA-N 2 0 309.404 2.664 20 0 DFADRP CC[N@@H+]1CCC[C@H]1CNC(=O)CC[C@H]([NH3+])CC1CCCCC1 ZINC000424144299 429097913 /nfs/dbraw/zinc/09/79/13/429097913.db2.gz XDFFDRIIBUYCKN-IRXDYDNUSA-N 2 0 309.498 2.665 20 0 DFADRP C[C@H]([NH2+][C@@H]1CCC[C@H]([NH3+])C1)c1cccc(N2CCCC2=O)c1 ZINC000423397464 429078322 /nfs/dbraw/zinc/07/83/22/429078322.db2.gz SXHXEBNFHGSGPO-CWRNSKLLSA-N 2 0 301.434 2.734 20 0 DFADRP Cn1nccc1[C@H]1CCC[C@@H]([NH2+]Cc2ccc3c(c2)C[NH2+]C3)C1 ZINC000423391748 429079032 /nfs/dbraw/zinc/07/90/32/429079032.db2.gz PREYUVOETXHLLG-MAUKXSAKSA-N 2 0 310.445 2.839 20 0 DFADRP CC1(C)C[NH2+][C@@H]1C1CCN(C(=O)[C@@H]2CCCCCC[C@H]2[NH3+])CC1 ZINC000424035086 429080237 /nfs/dbraw/zinc/08/02/37/429080237.db2.gz PBWSGXILWIZAMU-BRWVUGGUSA-N 2 0 321.509 2.521 20 0 DFADRP C[C@@H]1C[NH2+]CC[C@@H]1[NH2+][C@H]1C[C@@H](OCc2ccccc2)C1(C)C ZINC000423403416 429080617 /nfs/dbraw/zinc/08/06/17/429080617.db2.gz SEYSXCDFRRCQLB-LAVFITLUSA-N 2 0 302.462 2.958 20 0 DFADRP c1cc(C[NH2+][C@@H]2CCCC[C@@H]2[C@@H]2CCOC2)cc2c1C[NH2+]C2 ZINC000423405648 429080858 /nfs/dbraw/zinc/08/08/58/429080858.db2.gz YFRQNGDREHFRTL-BHIYHBOVSA-N 2 0 300.446 2.975 20 0 DFADRP CC[N@H+](Cc1ccc(C(=O)N[C@@H]2CCC[NH2+][C@@H]2C)cc1)C1CC1 ZINC000424047807 429081483 /nfs/dbraw/zinc/08/14/83/429081483.db2.gz XGPLKVGUPORYFQ-RDTXWAMCSA-N 2 0 315.461 2.541 20 0 DFADRP CCC[C@H]([NH2+]C[C@H]1C[NH2+]C[C@@H]1O)c1cccc(C(F)(F)F)c1 ZINC000423408537 429081604 /nfs/dbraw/zinc/08/16/04/429081604.db2.gz OUVNLGXFYAVUFO-SNPRPXQTSA-N 2 0 316.367 2.717 20 0 DFADRP C[C@H]([NH2+][C@@H]1CC[NH2+]C[C@@H]1C)c1ccc(NC(=O)NC2CC2)cc1 ZINC000423408083 429081623 /nfs/dbraw/zinc/08/16/23/429081623.db2.gz WVJIKNMSKRKSMY-GDZNZVCISA-N 2 0 316.449 2.619 20 0 DFADRP C[C@@H]([NH3+])c1ccc(C(=O)N2CCC([C@H]3[NH2+]CC3(C)C)CC2)cc1 ZINC000424046201 429081780 /nfs/dbraw/zinc/08/17/80/429081780.db2.gz VISDMWAHIOCLBS-CXAGYDPISA-N 2 0 315.461 2.557 20 0 DFADRP C[C@H](NC[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1)c1ccnn1C ZINC000423483731 429097568 /nfs/dbraw/zinc/09/75/68/429097568.db2.gz ZBGQLUMEGLEXKT-JLJPHGGASA-N 2 0 316.424 2.603 20 0 DFADRP C[C@@H]1C[C@H](N(C)C(=O)C(C)(C)[C@@H]([NH3+])c2ccccc2)CC[N@@H+]1C ZINC000423424655 429084907 /nfs/dbraw/zinc/08/49/07/429084907.db2.gz NGURVHAGXQIFHM-OIISXLGYSA-N 2 0 317.477 2.654 20 0 DFADRP [NH3+]C[C@H]1CC[C@H](C[NH2+][C@@H](c2ncc[nH]2)c2ccc(F)cc2)CC1 ZINC000423418589 429085155 /nfs/dbraw/zinc/08/51/55/429085155.db2.gz HPTICIANWASFLK-CKEIUWERSA-N 2 0 316.424 2.993 20 0 DFADRP C[C@H]([NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1)c1ccc(-n2ccnc2)cc1 ZINC000423421771 429085467 /nfs/dbraw/zinc/08/54/67/429085467.db2.gz AWYZLGKPTDPUTE-ZOCIIQOWSA-N 2 0 310.445 2.911 20 0 DFADRP CC[NH+](CC)C[C@@H]1CCN(C(=O)c2ccc([C@@H](C)[NH3+])cc2)C1 ZINC000423433486 429086793 /nfs/dbraw/zinc/08/67/93/429086793.db2.gz JVZARZAPEFBCPB-CABCVRRESA-N 2 0 303.450 2.510 20 0 DFADRP C[C@H]([NH3+])[C@H](C)N[C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000423433445 429087413 /nfs/dbraw/zinc/08/74/13/429087413.db2.gz CJRIWNDCFOBOFA-PLOWYNNNSA-N 2 0 301.478 2.612 20 0 DFADRP COc1ccc([C@H](N[C@H](C)CCCC[NH3+])[C@@H]2CCC[NH2+]2)cc1 ZINC000423428500 429087938 /nfs/dbraw/zinc/08/79/38/429087938.db2.gz JFKHCVFZMGTIDP-JLSDUUJJSA-N 2 0 305.466 2.595 20 0 DFADRP CC(=O)NCCc1ccc([C@@H](C)[NH2+][C@@H](C)CCCC[NH3+])cc1 ZINC000423447681 429088554 /nfs/dbraw/zinc/08/85/54/429088554.db2.gz ZXHAWLXGRNVWDU-LSDHHAIUSA-N 2 0 305.466 2.533 20 0 DFADRP Cc1cc(C[NH3+])cc(NC(=O)N2CCC([NH+]3CCCC3)CC2)c1 ZINC000424444448 429143273 /nfs/dbraw/zinc/14/32/73/429143273.db2.gz MTRQJUIKYFZMTE-UHFFFAOYSA-N 2 0 316.449 2.546 20 0 DFADRP Cc1ccc([C@@H](C)NC(=O)CN(C)[C@@H]2CCC[NH2+]CC2)cc1C ZINC000435615697 429152624 /nfs/dbraw/zinc/15/26/24/429152624.db2.gz JWRKBHBBZDGCGY-SJLPKXTDSA-N 2 0 317.477 2.555 20 0 DFADRP COc1ccc(-c2nc(CN(C)[C@H]3CCC[NH2+]CC3)co2)cc1 ZINC000435619038 429152812 /nfs/dbraw/zinc/15/28/12/429152812.db2.gz WHGSTSFDXJEMED-INIZCTEOSA-N 2 0 315.417 2.924 20 0 DFADRP CC[N@H+](CCC(=O)Nc1ccccc1F)[C@H]1CCC[NH2+]CC1 ZINC000435614090 429152920 /nfs/dbraw/zinc/15/29/20/429152920.db2.gz LWQNDDWZJQBJJN-AWEZNQCLSA-N 2 0 307.413 2.618 20 0 DFADRP CN(Cc1nn(-c2ccccc2)c2c1CCC2)[C@@H]1CCC[NH2+]CC1 ZINC000435616478 429153857 /nfs/dbraw/zinc/15/38/57/429153857.db2.gz MEKLWYCNTSCSGP-MRXNPFEDSA-N 2 0 324.472 2.935 20 0 DFADRP O=C([C@@H]1CCC[N@H+](CCC[NH+]2CCCCC2)C1)N1CCCCC1 ZINC000363997624 429155446 /nfs/dbraw/zinc/15/54/46/429155446.db2.gz KLGRLSZSBIADTC-GOSISDBHSA-N 2 0 321.509 2.587 20 0 DFADRP CC(C)[C@@H](CSc1ccccc1)[NH2+]C[C@H]1C[NH2+]CCCO1 ZINC000423493252 429098908 /nfs/dbraw/zinc/09/89/08/429098908.db2.gz PTPIWYLFFGILPZ-NVXWUHKLSA-N 2 0 308.491 2.771 20 0 DFADRP C[C@H]([NH2+][C@@H]1CC[C@@H](C[NH3+])C1)c1cccc(N2CCCC2=O)c1 ZINC000423497430 429099034 /nfs/dbraw/zinc/09/90/34/429099034.db2.gz YTVTZEOKPFUUMQ-SQWLQELKSA-N 2 0 301.434 2.591 20 0 DFADRP C[NH+](C)[C@H]1CCCN(C(=O)CC[C@H]([NH3+])CC2CCCCC2)C1 ZINC000424139289 429099511 /nfs/dbraw/zinc/09/95/11/429099511.db2.gz ACUBYPMWQSUIKH-IRXDYDNUSA-N 2 0 309.498 2.617 20 0 DFADRP c1ccc([C@H]([NH2+]C2CCC([NH+]3CCNCC3)CC2)C2CC2)cc1 ZINC000423499895 429101773 /nfs/dbraw/zinc/10/17/73/429101773.db2.gz BOPMPILBZASJNV-MHJFOBGBSA-N 2 0 313.489 2.944 20 0 DFADRP C[C@H](c1cccc(N2CCOCC2)c1)[N@@H+]1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000423506193 429101866 /nfs/dbraw/zinc/10/18/66/429101866.db2.gz HUVQWXSGUVFMTQ-GPMSIDNRSA-N 2 0 317.477 2.501 20 0 DFADRP COc1cc(C)c([C@@H](C)[N@@H+]2C[C@@H](C)[C@](C)(C[NH3+])C2)cc1OC ZINC000423504654 429102108 /nfs/dbraw/zinc/10/21/08/429102108.db2.gz GBRBWDJFGXXBCJ-HBUWYVDXSA-N 2 0 306.450 2.990 20 0 DFADRP C[C@@H]1C[N@@H+](C2CCN(c3ccc(F)cc3F)CC2)C[C@@]1(C)C[NH3+] ZINC000423508938 429103696 /nfs/dbraw/zinc/10/36/96/429103696.db2.gz LRICUPYIPMMGGY-FZKQIMNGSA-N 2 0 323.431 2.850 20 0 DFADRP Fc1cccc2c1CC[C@H]2[NH2+]C1CCC([NH+]2CCNCC2)CC1 ZINC000423511036 429103781 /nfs/dbraw/zinc/10/37/81/429103781.db2.gz NBKJDIMFIWJOOP-JFIBYHEFSA-N 2 0 317.452 2.619 20 0 DFADRP c1ccc2c(c1)CCC[C@@H]2[NH2+]C1CCC([NH+]2CCNCC2)CC1 ZINC000423508592 429104703 /nfs/dbraw/zinc/10/47/03/429104703.db2.gz KWWKRBYTFFGKFU-QLOJAFMTSA-N 2 0 313.489 2.870 20 0 DFADRP [NH3+][C@H](CCC(=O)N1CCC[C@@]2(CC[NH2+]C2)C1)CC1CCCCC1 ZINC000424176314 429104770 /nfs/dbraw/zinc/10/47/70/429104770.db2.gz OUHNXMZXGOIAMC-MJGOQNOKSA-N 2 0 321.509 2.666 20 0 DFADRP Cc1cc([C@@H](C)[NH2+]C2CCC([NH+]3CCNCC3)CC2)cs1 ZINC000423518467 429105599 /nfs/dbraw/zinc/10/55/99/429105599.db2.gz ZQPSJSNZLVSNPW-ODIFPOPNSA-N 2 0 307.507 2.924 20 0 DFADRP CCO[C@@H]1C[C@@H]([N@@H+]2C[C@@H](C)[C@](C)(C[NH3+])C2)[C@H]1Oc1ccccc1 ZINC000423516425 429107159 /nfs/dbraw/zinc/10/71/59/429107159.db2.gz WVLCWBKHQCYFLT-WSIUPNEHSA-N 2 0 318.461 2.528 20 0 DFADRP CC(C)(C)OC(=O)C(C)(C)CC[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000424195001 429109017 /nfs/dbraw/zinc/10/90/17/429109017.db2.gz YJZZSEMGSUOIJK-HUUCEWRRSA-N 2 0 310.482 2.961 20 0 DFADRP CCCCOCC[N@H+](C)C[C@@H]1CCCN(C)[C@H]1c1cnn(C)c1 ZINC000434737935 429109828 /nfs/dbraw/zinc/10/98/28/429109828.db2.gz PMTKSOFUHUGYSP-FUHWJXTLSA-N 2 0 322.497 2.552 20 0 DFADRP C[C@@H](CC1CCOCC1)[NH2+]CC1([NH3+])C2CC3CC(C2)CC1C3 ZINC000423534222 429111123 /nfs/dbraw/zinc/11/11/23/429111123.db2.gz ZQXNSMVXSICIIE-RLWQEURSSA-N 2 0 306.494 2.935 20 0 DFADRP C[N@@H+]1CC[C@H](NCC2([NH3+])C3CC4CC(C3)CC2C4)[C@H]2CCC[C@@H]21 ZINC000423531777 429111139 /nfs/dbraw/zinc/11/11/39/429111139.db2.gz UFDLOLHKEGXRHI-WMXMQJIWSA-N 2 0 317.521 2.602 20 0 DFADRP COC(=O)CC1CC([NH2+][C@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)C1 ZINC000424277585 429117498 /nfs/dbraw/zinc/11/74/98/429117498.db2.gz HATDXZAHLKMOSY-CIDNJEQPSA-N 2 0 308.466 2.571 20 0 DFADRP CCc1ccccc1NC(=O)C[N@@H+]1CC2(C[C@H]1C)CC[NH2+]CC2 ZINC000424288589 429120933 /nfs/dbraw/zinc/12/09/33/429120933.db2.gz KSJYTGQKPNMFSA-OAHLLOKOSA-N 2 0 315.461 2.652 20 0 DFADRP CO[C@@H](C)c1nc(C[N@@H+]2CC3(C[C@H]2C)CC[NH2+]CC3)cs1 ZINC000424292954 429121332 /nfs/dbraw/zinc/12/13/32/429121332.db2.gz OYTZEJKIGLVFTM-OLZOCXBDSA-N 2 0 309.479 2.815 20 0 DFADRP CCc1nn(C)c(Cl)c1C[NH+]1CCC(c2c[nH]cn2)CC1 ZINC000376494348 429122274 /nfs/dbraw/zinc/12/22/74/429122274.db2.gz ZXTHWBNXRSLXIR-UHFFFAOYSA-N 2 0 307.829 2.739 20 0 DFADRP COc1ccc(C[NH+]2CCC(c3c[nH]cn3)CC2)c(OC)c1 ZINC000376491231 429122745 /nfs/dbraw/zinc/12/27/45/429122745.db2.gz JVNFPXYJAJMSEL-UHFFFAOYSA-N 2 0 301.390 2.807 20 0 DFADRP CCCCN(CCCC)C(=O)C[N@@H+]1CC2(C[C@@H]1C)CC[NH2+]CC2 ZINC000424300562 429123133 /nfs/dbraw/zinc/12/31/33/429123133.db2.gz WSXGMSYABDJARH-KRWDZBQOSA-N 2 0 323.525 2.879 20 0 DFADRP CCOC(=O)CC(C)(C)CC[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000376515811 429126389 /nfs/dbraw/zinc/12/63/89/429126389.db2.gz VAZSEXKSHDRGKH-MRXNPFEDSA-N 2 0 310.482 2.774 20 0 DFADRP CC[NH+](CC)C[C@@H]1CCCC[C@H]1[NH2+]C1CC(CC(=O)OC)C1 ZINC000424321544 429127076 /nfs/dbraw/zinc/12/70/76/429127076.db2.gz ULIXNPMVBPOUAC-ODZFXCKXSA-N 2 0 310.482 2.818 20 0 DFADRP C[NH2+]C[C@H]1CCC[N@H+](C[C@H](C)Cc2ccc(OC)c(F)c2)C1 ZINC000435369885 429133317 /nfs/dbraw/zinc/13/33/17/429133317.db2.gz GKAYJBGRKCZYNY-GDBMZVCRSA-N 2 0 308.441 2.944 20 0 DFADRP CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)CC[C@@H]2CCC[NH2+]2)C1 ZINC000494642831 429133986 /nfs/dbraw/zinc/13/39/86/429133986.db2.gz KYSXHGFRFUOMES-CVEARBPZSA-N 2 0 309.498 2.535 20 0 DFADRP CCC1(CC)[C@H](OC)C[C@@H]1[NH2+]Cc1cc(C2CC[NH2+]CC2)no1 ZINC000424379873 429134021 /nfs/dbraw/zinc/13/40/21/429134021.db2.gz PKFHDJJJWQCMFM-DLBZAZTESA-N 2 0 321.465 2.825 20 0 DFADRP COc1cc(C[N@@H+]2CC3(C[C@H]2C)CC[NH2+]CC3)cc(OC)c1 ZINC000424383814 429134139 /nfs/dbraw/zinc/13/41/39/429134139.db2.gz UOOBJOFIIDDUFA-CQSZACIVSA-N 2 0 304.434 2.668 20 0 DFADRP CCc1nn(C)c(CC)c1C[N@@H+]1CC2(C[C@@H]1C)CC[NH2+]CC2 ZINC000424384195 429134206 /nfs/dbraw/zinc/13/42/06/429134206.db2.gz UXEZVOJKQOZTNB-AWEZNQCLSA-N 2 0 304.482 2.509 20 0 DFADRP C[C@@H]1C[C@@H](C[NH3+])C[N@@H+]1Cc1ccc(OCc2ccccn2)cc1 ZINC000435374388 429135236 /nfs/dbraw/zinc/13/52/36/429135236.db2.gz XBYPAMMJTSUMQY-WBVHZDCISA-N 2 0 311.429 2.830 20 0 DFADRP [NH3+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3OCc3cccnc3)C[C@H]12 ZINC000435387559 429136881 /nfs/dbraw/zinc/13/68/81/429136881.db2.gz APZTYBUKGSIDDK-NZSAHSFTSA-N 2 0 323.440 2.830 20 0 DFADRP C[C@H](C[C@H](C)NC(=O)OC(C)(C)C)[NH2+]CCC[NH+]1CCCC1 ZINC000494659623 429139692 /nfs/dbraw/zinc/13/96/92/429139692.db2.gz QMBMEMUFMLMURG-CABCVRRESA-N 2 0 313.486 2.754 20 0 DFADRP Cc1cc(C[NH3+])cc(NC(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)c1 ZINC000424438876 429142536 /nfs/dbraw/zinc/14/25/36/429142536.db2.gz QULSZUDQILRLSP-INIZCTEOSA-N 2 0 320.481 2.942 20 0 DFADRP CCC[C@H](C)C[N@H+](Cc1nccn1C)[C@@H]1CC12CC[NH2+]CC2 ZINC000435431430 429142567 /nfs/dbraw/zinc/14/25/67/429142567.db2.gz IMBHZUHOFABPCM-JKSUJKDBSA-N 2 0 304.482 2.800 20 0 DFADRP CC[NH+]1CCN(Cc2ccccc2C[NH2+][C@@H]2C[C@H](C)[C@@H]2C)CC1 ZINC000494889138 429162039 /nfs/dbraw/zinc/16/20/39/429162039.db2.gz JTNYENJDFVYVIX-ABSDTBQOSA-N 2 0 315.505 2.958 20 0 DFADRP C[C@@H]1C[C@H]([NH2+]CCCN2CC[NH+](Cc3ccccc3)CC2)[C@@H]1C ZINC000494911192 429163547 /nfs/dbraw/zinc/16/35/47/429163547.db2.gz QCRHWYIPFKEPBO-GGPKGHCWSA-N 2 0 315.505 2.828 20 0 DFADRP COCC[N@H+](C)CCCC1CC[NH+](C[C@H]2CCSC2)CC1 ZINC000494930902 429165039 /nfs/dbraw/zinc/16/50/39/429165039.db2.gz NEMQCCUFWFVNNF-QGZVFWFLSA-N 2 0 314.539 2.810 20 0 DFADRP C[NH2+]CCC[N@@H+]1CCC[C@H](c2nc(-c3cccc(F)c3)no2)C1 ZINC000435875775 429168725 /nfs/dbraw/zinc/16/87/25/429168725.db2.gz UTYNTOVPGQTOGW-AWEZNQCLSA-N 2 0 318.396 2.665 20 0 DFADRP C[C@H]([NH2+]CC1CC[NH+](CCO)CC1)C12CC3CC(CC(C3)C1)C2 ZINC000495049222 429173212 /nfs/dbraw/zinc/17/32/12/429173212.db2.gz QZPIMRODJJUNDO-KEDVPNTESA-N 2 0 320.521 2.885 20 0 DFADRP COCC[N@H+](C)CCOc1cccc(C[NH2+][C@@H]2C[C@@H](C)[C@H]2C)c1 ZINC000495060137 429175788 /nfs/dbraw/zinc/17/57/88/429175788.db2.gz QCMKNQNZNVCZOR-GPMSIDNRSA-N 2 0 320.477 2.778 20 0 DFADRP CC[C@@H](c1ccccc1F)[N@@H+]1CC[C@H](CN2CCOCC2)C1 ZINC000364373353 429193165 /nfs/dbraw/zinc/19/31/65/429193165.db2.gz JBKKMWSQLALSIS-QAPCUYQASA-N 2 0 306.425 2.931 20 0 DFADRP CN1CCC([N@@H+]2CC[C@H](NC(=O)CC3CCCCCC3)C2)CC1 ZINC000364371858 429193506 /nfs/dbraw/zinc/19/35/06/429193506.db2.gz IRIYNFAYPBZDFV-KRWDZBQOSA-N 2 0 321.509 2.632 20 0 DFADRP Brc1ccc2c(c1)CC[N@@H+](CC1CC[NH2+]CC1)C2 ZINC000261823208 275370685 /nfs/dbraw/zinc/37/06/85/275370685.db2.gz IOLKIDFYXXTMPG-UHFFFAOYSA-N 2 0 309.251 2.807 20 0 DFADRP C[NH+](C)[C@H]1CCC[C@@H]([NH2+]CC(C)(C)NC(=O)OC(C)(C)C)C1 ZINC000495428746 429207202 /nfs/dbraw/zinc/20/72/02/429207202.db2.gz BCFGYWBWJYYQKE-KGLIPLIRSA-N 2 0 313.486 2.752 20 0 DFADRP FC(F)(F)COc1ccc(CN2CC[NH+]3CCC2CC3)cc1 ZINC000364488455 429213058 /nfs/dbraw/zinc/21/30/58/429213058.db2.gz BWYHQTLGIFAPAF-UHFFFAOYSA-N 2 0 314.351 2.908 20 0 DFADRP CCC[NH+](CCC)CCCC(=O)N1C[C@H]2CCC[N@@H+]2C[C@H]1CC ZINC000489049290 429215383 /nfs/dbraw/zinc/21/53/83/429215383.db2.gz XYHZOZGETSEDEP-QZTJIDSGSA-N 2 0 323.525 2.974 20 0 DFADRP CC(C)[N@H+](C)CCNC(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C ZINC000455899073 429222920 /nfs/dbraw/zinc/22/29/20/429222920.db2.gz FLNPIFULZIRNHU-KRWDZBQOSA-N 2 0 318.465 2.697 20 0 DFADRP COC(CN1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2)OC ZINC000364578440 429227260 /nfs/dbraw/zinc/22/72/60/429227260.db2.gz KWMXTYVLUOJTGO-IBGZPJMESA-N 2 0 318.461 2.593 20 0 DFADRP CCC(=O)N1CCC[C@H]1[C@@H]1CCC[N@@H+]1CCC[NH+]1CCCCC1 ZINC000364591021 429230789 /nfs/dbraw/zinc/23/07/89/429230789.db2.gz LGNVWQGVVKQOBK-ROUUACIJSA-N 2 0 321.509 2.728 20 0 DFADRP CC[C@@H](C(=O)N[C@@H](C[NH+](C)C)c1ccc(F)cc1)[NH+](CC)CC ZINC000488888668 429205849 /nfs/dbraw/zinc/20/58/49/429205849.db2.gz IXZCOBKWSQJFQM-IRXDYDNUSA-N 2 0 323.456 2.665 20 0 DFADRP C[C@@H]1C[C@H](C[NH3+])C[N@@H+]1CCOc1ccccc1C(F)(F)F ZINC000442767304 429234282 /nfs/dbraw/zinc/23/42/82/429234282.db2.gz YFVWBYJEJGOKSX-VXGBXAGGSA-N 2 0 302.340 2.753 20 0 DFADRP C[C@@H]1C[C@@H](C[NH3+])C[N@@H+]1CCc1nc(-c2cccc(Cl)c2)no1 ZINC000442767321 429234989 /nfs/dbraw/zinc/23/49/89/429234989.db2.gz YJTNDEOVZWVLPP-NEPJUHHUSA-N 2 0 320.824 2.602 20 0 DFADRP Cc1ccc(F)cc1C[N@@H+]1CCN(C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000364640584 429240237 /nfs/dbraw/zinc/24/02/37/429240237.db2.gz XITZGXUMHVGJHS-INIZCTEOSA-N 2 0 319.468 2.734 20 0 DFADRP COc1cc(C[N@@H+]2CCC[C@H](CC[NH3+])C2)cc(Cl)c1OC ZINC000442925053 429240735 /nfs/dbraw/zinc/24/07/35/429240735.db2.gz TWYISKIOIMTCMR-GFCCVEGCSA-N 2 0 312.841 2.918 20 0 DFADRP CCCNC(=O)OC[C@H]1CCCC[N@@H+]1CCCn1ccnc1C ZINC000495709047 429249717 /nfs/dbraw/zinc/24/97/17/429249717.db2.gz YGJIUMMUGWLOJK-MRXNPFEDSA-N 2 0 322.453 2.572 20 0 DFADRP Cc1cc(NC[C@H](C)[NH+](C)C)c2cc(OC(F)F)ccc2[nH+]1 ZINC000443424681 429250319 /nfs/dbraw/zinc/25/03/19/429250319.db2.gz VXSMOOXSZOSVQB-NSHDSACASA-N 2 0 309.360 2.929 20 0 DFADRP CCCCc1noc([C@@H](C)[N@H+](C)C[C@H]2CCc3nccn3C2)n1 ZINC000364705448 429253861 /nfs/dbraw/zinc/25/38/61/429253861.db2.gz IAVZEPUFCVKYNO-ZIAGYGMSSA-N 2 0 317.437 2.864 20 0 DFADRP C[C@H]1C[C@@H](C(=O)Nc2ccc3c(c2)CC[C@@H]3[NH+](C)C)CC[N@@H+]1C ZINC000456305340 429272721 /nfs/dbraw/zinc/27/27/21/429272721.db2.gz HXPAYKUHNRLFGX-YEWWUXTCSA-N 2 0 315.461 2.904 20 0 DFADRP C[NH+](C)[C@H]1CCc2cc(NC(=O)[C@@H]3CCC[N@@H+]3C3CC3)ccc21 ZINC000456314419 429274612 /nfs/dbraw/zinc/27/46/12/429274612.db2.gz LSNRSQAWNVMHBH-ROUUACIJSA-N 2 0 313.445 2.801 20 0 DFADRP C[C@@H]1C[N@@H+](CCCCNc2cc[nH+]c3ccccc23)C[C@H](C)O1 ZINC000490137773 429280871 /nfs/dbraw/zinc/28/08/71/429280871.db2.gz BLSOTRRNLMXGQT-IYBDPMFKSA-N 2 0 313.445 2.958 20 0 DFADRP CC(C)[C@@H](C[NH2+]Cc1cccc2ccoc21)N1CC[NH+](C)CC1 ZINC000449075911 429324569 /nfs/dbraw/zinc/32/45/69/429324569.db2.gz NZDUUTKCGCNVQB-GOSISDBHSA-N 2 0 315.461 2.794 20 0 DFADRP C[C@@H]1C[NH+](CCCC[NH2+][C@H]2CCOC3(CCC3)C2)C[C@@H](C)O1 ZINC000449104131 429332507 /nfs/dbraw/zinc/33/25/07/429332507.db2.gz UHZXTJWAPGRMPH-ZACQAIPSSA-N 2 0 310.482 2.567 20 0 DFADRP CCC[NH2+][C@H](C)C(=O)NC[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000449106750 429333587 /nfs/dbraw/zinc/33/35/87/429333587.db2.gz JKFIUEQAMOGMSD-AEFFLSMTSA-N 2 0 317.477 2.545 20 0 DFADRP COCCN1CCC[C@H]1C[NH2+]C[C@H](C)c1cc(F)cc(F)c1 ZINC000449119180 429336438 /nfs/dbraw/zinc/33/64/38/429336438.db2.gz WVSUQTSMYXNRFF-GUYCJALGSA-N 2 0 312.404 2.769 20 0 DFADRP CC[NH+](CC)CC1CCN(C(=O)[C@H]([NH3+])c2ccccc2C)CC1 ZINC000449132667 429340908 /nfs/dbraw/zinc/34/09/08/429340908.db2.gz BIDKEKBMKXTLRS-GOSISDBHSA-N 2 0 317.477 2.575 20 0 DFADRP C[C@@H](Cc1coc2ccccc12)[NH2+]C[C@H](C)N1CC[NH+](C)CC1 ZINC000449138084 429341616 /nfs/dbraw/zinc/34/16/16/429341616.db2.gz ZUCBYKPVCDNLTC-HOTGVXAUSA-N 2 0 315.461 2.589 20 0 DFADRP C[C@@H]1C[C@H]([NH2+]Cc2ccc(OCC[NH+]3CCCC3)cc2)[C@H](C)O1 ZINC000449139785 429342319 /nfs/dbraw/zinc/34/23/19/429342319.db2.gz HLDQUWQGKUYIPA-GJYPPUQNSA-N 2 0 318.461 2.817 20 0 DFADRP CC(C)(C)c1ncc(C[NH2+]C[C@H]2CCn3ccnc3C2)s1 ZINC000365562245 429342672 /nfs/dbraw/zinc/34/26/72/429342672.db2.gz ZYTUPNUPQBSATO-LBPRGKRZSA-N 2 0 304.463 2.989 20 0 DFADRP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+]CC2(O)CCCC2)CC1 ZINC000449141807 429342792 /nfs/dbraw/zinc/34/27/92/429342792.db2.gz MPHVIKUAYVYHTF-QGZVFWFLSA-N 2 0 316.489 2.977 20 0 DFADRP C[C@H](N[C@H]1CCN(C(C)(C)C)C1=O)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000425431042 429295826 /nfs/dbraw/zinc/29/58/26/429295826.db2.gz GYVOCYXGHPLTEX-UXLLHSPISA-N 2 0 321.509 2.628 20 0 DFADRP C[C@@H]([NH2+]C[C@@H](O)Cc1ccccc1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000425435244 429296243 /nfs/dbraw/zinc/29/62/43/429296243.db2.gz RULDFLQLFMDPOL-POAQFYNOSA-N 2 0 316.489 2.833 20 0 DFADRP C[N@@H+]1CC[C@]2(CCN(Cc3ccc(-c4ccccn4)nc3)C2)C1 ZINC000425445728 429299203 /nfs/dbraw/zinc/29/92/03/429299203.db2.gz NENJHMKBACBGRK-IBGZPJMESA-N 2 0 308.429 2.671 20 0 DFADRP OC[C@H]1CCC[N@@H+]1CCCC[NH2+]Cc1ccc2c(c1)CCCC2 ZINC000490898547 429312695 /nfs/dbraw/zinc/31/26/95/429312695.db2.gz ICVDMVIJKGSRKW-HXUWFJFHSA-N 2 0 316.489 2.892 20 0 DFADRP CC1CC[NH+](CC2CC[NH+](C[C@@H]3CC4(CC4)C(=O)O3)CC2)CC1 ZINC000365420141 429316833 /nfs/dbraw/zinc/31/68/33/429316833.db2.gz DPSJSEJVYCIJHY-KRWDZBQOSA-N 2 0 320.477 2.526 20 0 DFADRP C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)C[C@H]2CCCC[C@@H]2[NH3+])C1 ZINC000449337660 429393230 /nfs/dbraw/zinc/39/32/30/429393230.db2.gz QQRXFOGSTLLTFS-TWMKSMIVSA-N 2 0 323.525 2.767 20 0 DFADRP CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)C[C@@H]2CCCC[C@@H]2[NH3+])C1 ZINC000449347686 429393981 /nfs/dbraw/zinc/39/39/81/429393981.db2.gz DGQPRBAXRDDTFQ-IKGGRYGDSA-N 2 0 323.525 2.911 20 0 DFADRP CC(C)OCC[NH+]1CCC(CC[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000365884052 429396697 /nfs/dbraw/zinc/39/66/97/429396697.db2.gz HPGSVANUMRGXLR-IRXDYDNUSA-N 2 0 312.498 2.623 20 0 DFADRP COc1ccc(OC2CC[NH+](C[C@H]3CC[NH2+][C@H](C)C3)CC2)cc1 ZINC000518130908 429411059 /nfs/dbraw/zinc/41/10/59/429411059.db2.gz HAZZWOSLXWILNZ-CVEARBPZSA-N 2 0 318.461 2.927 20 0 DFADRP c1c(C[NH2+]CCOC2CCCCCC2)onc1C1CC[NH2+]CC1 ZINC000425892227 429349108 /nfs/dbraw/zinc/34/91/08/429349108.db2.gz ASMVLMFPDPTCCD-UHFFFAOYSA-N 2 0 321.465 2.971 20 0 DFADRP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+]C[C@@H](C)CCO)CC1 ZINC000449169692 429349481 /nfs/dbraw/zinc/34/94/81/429349481.db2.gz DPKHTKFOTYPMCW-DLBZAZTESA-N 2 0 304.478 2.690 20 0 DFADRP C[C@@H](Cc1ccc(O)cc1)[NH2+]Cc1cc(C2CC[NH2+]CC2)no1 ZINC000425895979 429350370 /nfs/dbraw/zinc/35/03/70/429350370.db2.gz MGFIWCGSWDKEHB-ZDUSSCGKSA-N 2 0 315.417 2.568 20 0 DFADRP c1c(C[NH2+]C[C@H]2CCc3ccccc32)onc1C1CC[NH2+]CC1 ZINC000425899840 429351628 /nfs/dbraw/zinc/35/16/28/429351628.db2.gz MHUIIEITSNOMGV-MRXNPFEDSA-N 2 0 311.429 2.961 20 0 DFADRP CC[C@@H](O)CC[NH2+]C1CC[NH+]([C@H](C)Cc2ccccc2)CC1 ZINC000449185381 429353454 /nfs/dbraw/zinc/35/34/54/429353454.db2.gz AYJOKQWQMJLBFB-VQIMIIECSA-N 2 0 304.478 2.833 20 0 DFADRP COC(=O)C1CCC([NH2+]CCCC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000425949502 429353522 /nfs/dbraw/zinc/35/35/22/429353522.db2.gz IMPNSMDWEMGKLO-GTPINHCMSA-N 2 0 310.482 2.962 20 0 DFADRP Cc1ccc2cc([C@H](C)[NH2+]CC3(O)CC[NH+](C)CC3)oc2c1 ZINC000426038117 429361111 /nfs/dbraw/zinc/36/11/11/429361111.db2.gz XUNFFZXUOVMHHS-AWEZNQCLSA-N 2 0 302.418 2.849 20 0 DFADRP COc1cccc2c1CC[C@H]([NH2+]CCN1CC=C(C)CC1)C2 ZINC000426042251 429361191 /nfs/dbraw/zinc/36/11/91/429361191.db2.gz JFBFYWOYIBGVNK-KRWDZBQOSA-N 2 0 300.446 2.794 20 0 DFADRP COc1ccc(CC[C@@H](C)[NH2+]CC2CC[NH+](C)CC2)cc1O ZINC000426157514 429367684 /nfs/dbraw/zinc/36/76/84/429367684.db2.gz UPZSEMWUKBVWQI-CQSZACIVSA-N 2 0 306.450 2.653 20 0 DFADRP C=Cn1cc(C[NH+]2CCC3(C[C@@H]3C[N@@H+](C)C3CC3)CC2)cn1 ZINC000365795442 429373625 /nfs/dbraw/zinc/37/36/25/429373625.db2.gz NLYPSRGWKLFQDG-MRXNPFEDSA-N 2 0 300.450 2.680 20 0 DFADRP CC(C)[C@@H](C(=O)NCCC[NH+]1CCCCCC1)[NH+]1CCCCC1 ZINC000354317360 275665786 /nfs/dbraw/zinc/66/57/86/275665786.db2.gz GAHQESNMCCBYGL-SFHVURJKSA-N 2 0 323.525 2.879 20 0 DFADRP [NH3+][C@H]1CCCC[C@@H]1CC(=O)N1CC[NH+](CC2CCCCC2)CC1 ZINC000449319920 429385215 /nfs/dbraw/zinc/38/52/15/429385215.db2.gz HIZICZVIPSKLID-MSOLQXFVSA-N 2 0 321.509 2.619 20 0 DFADRP C[C@@H]1C[NH2+]C[C@H]1C(=O)Nc1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000449318723 429386150 /nfs/dbraw/zinc/38/61/50/429386150.db2.gz DREZLUXBTNZJIH-HDMKZQKVSA-N 2 0 315.461 2.713 20 0 DFADRP C[C@@H]1C[NH2+]C[C@H]1C(=O)Nc1ccc(C[N@@H+]2CCCC[C@H]2C)cc1 ZINC000449317044 429386471 /nfs/dbraw/zinc/38/64/71/429386471.db2.gz AIZOPSVPUPDYSK-IIDMSEBBSA-N 2 0 315.461 2.855 20 0 DFADRP CC(C)[C@@H](Cc1ccccc1)[NH2+]C1CCN(CC[NH+](C)C)CC1 ZINC000186985770 275672215 /nfs/dbraw/zinc/67/22/15/275672215.db2.gz KGLKGQCHHMUXLI-HXUWFJFHSA-N 2 0 317.521 2.869 20 0 DFADRP CC[NH+](CC)C[C@@H]1CCCC[C@H]1NC(=O)C[C@H]1CCC[NH2+]CC1 ZINC000427269068 429441473 /nfs/dbraw/zinc/44/14/73/429441473.db2.gz GHQUMTSURTUWME-OKZBNKHCSA-N 2 0 323.525 2.783 20 0 DFADRP C[C@H](CC(=O)NCC1([NH+](C)C)CCCCCC1)C1CC[NH2+]CC1 ZINC000519546141 429465466 /nfs/dbraw/zinc/46/54/66/429465466.db2.gz WNQDTUWAKMUNSR-MRXNPFEDSA-N 2 0 323.525 2.783 20 0 DFADRP OC[C@@H]1CC[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC000449429545 429412987 /nfs/dbraw/zinc/41/29/87/429412987.db2.gz UUJWOIMNUPRBFO-MJIXASBWSA-N 2 0 314.473 2.933 20 0 DFADRP CC[C@@H]([NH3+])C[NH2+][C@H](C)CC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000518491446 429423024 /nfs/dbraw/zinc/42/30/24/429423024.db2.gz BCFHXMLYLXHQCX-ZYHUDNBSSA-N 2 0 317.355 2.749 20 0 DFADRP CC[C@@H]([NH3+])C[NH2+][C@@H](C)CC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000518491443 429423744 /nfs/dbraw/zinc/42/37/44/429423744.db2.gz BCFHXMLYLXHQCX-CMPLNLGQSA-N 2 0 317.355 2.749 20 0 DFADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCC[NH2+]C[C@@](C)(O)C(F)(F)F)C1 ZINC000518757540 429432456 /nfs/dbraw/zinc/43/24/56/429432456.db2.gz DWASMGFZJOGLKN-HZSPNIEDSA-N 2 0 310.404 2.647 20 0 DFADRP CC[N@@H+]1CC[C@H]([NH+](C)C[C@@H](C)NC(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000492130969 429472003 /nfs/dbraw/zinc/47/20/03/429472003.db2.gz IAMWKDDWTTXEPC-ZNMIVQPWSA-N 2 0 313.486 2.562 20 0 DFADRP C[C@@H]1CCC[C@@H]([NH+]2CCC([NH2+][C@H]3CCn4ccnc4C3)CC2)C1 ZINC000427873918 429475178 /nfs/dbraw/zinc/47/51/78/429475178.db2.gz LZGMSKFDTNXACO-BPQIPLTHSA-N 2 0 316.493 2.831 20 0 DFADRP CC(C)[C@@H]([NH3+])C(=O)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000519645183 429475947 /nfs/dbraw/zinc/47/59/47/429475947.db2.gz UFAKIOUAQMPYSQ-JKSUJKDBSA-N 2 0 323.868 2.576 20 0 DFADRP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+]1CCC[C@@]2(CCOC2)C1 ZINC000449684122 429478995 /nfs/dbraw/zinc/47/89/95/429478995.db2.gz QVLWOQQHVGPGPC-GOSISDBHSA-N 2 0 312.417 2.578 20 0 DFADRP Cc1noc(C2CCC([NH2+]CCC[NH+]3CCCCC3)CC2)n1 ZINC000366595524 429482564 /nfs/dbraw/zinc/48/25/64/429482564.db2.gz LIJGGFXTSHWHCS-UHFFFAOYSA-N 2 0 306.454 2.870 20 0 DFADRP C[C@H]([NH2+][C@@H]1CCC[C@@H]1CO)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000449712465 429486497 /nfs/dbraw/zinc/48/64/97/429486497.db2.gz RXEBLJQTJBOLRJ-GDAAHCPNSA-N 2 0 302.462 2.648 20 0 DFADRP C[C@@H](Cc1ccccc1)[NH+]1CCC([NH2+]C[C@@H]2CCC[C@H]2O)CC1 ZINC000449738144 429493153 /nfs/dbraw/zinc/49/31/53/429493153.db2.gz ZBZQLDKSUBXOMT-XKGZKEIXSA-N 2 0 316.489 2.833 20 0 DFADRP C[C@H]([NH2+]C[C@@H](O)C1CCC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000449738426 429493849 /nfs/dbraw/zinc/49/38/49/429493849.db2.gz BSGCKLKVMPGWCN-KFKAGJAMSA-N 2 0 302.462 2.648 20 0 DFADRP CCOc1cccc(C[NH2+]C(C)(C)CN2CC[NH+](CC)CC2)c1 ZINC000449755791 429500402 /nfs/dbraw/zinc/50/04/02/429500402.db2.gz UZIKQCAXPYSKPL-UHFFFAOYSA-N 2 0 319.493 2.591 20 0 DFADRP COC[C@@H]1CCCC[N@@H+]1Cc1cn(-c2cc[nH+]cc2)nc1C ZINC000449761570 429501009 /nfs/dbraw/zinc/50/10/09/429501009.db2.gz YVZVDICAGNCEHU-KRWDZBQOSA-N 2 0 300.406 2.577 20 0 DFADRP CC[N@H+](C)C[C@@H](O)CN1CCC(=Cc2ccc(F)c(F)c2)CC1 ZINC000520248126 429506595 /nfs/dbraw/zinc/50/65/95/429506595.db2.gz PTYQLYODZUPIFC-MRXNPFEDSA-N 2 0 324.415 2.757 20 0 DFADRP CC1=C[C@@H](C)C[C@H](C[NH+]2CCN(c3ccnc(C)n3)CC2)C1 ZINC000428283502 429508620 /nfs/dbraw/zinc/50/86/20/429508620.db2.gz ILCXQULSECJLGQ-PBHICJAKSA-N 2 0 300.450 2.899 20 0 DFADRP CCC[N@@H+]1CC[C@H](C[NH2+][C@H]2CCC[C@@H](c3ccnn3C)C2)C1 ZINC000366794396 429516513 /nfs/dbraw/zinc/51/65/13/429516513.db2.gz ZPWSKGCRAWQASC-ZACQAIPSSA-N 2 0 304.482 2.768 20 0 DFADRP C[C@@H]1C[N@@H+](CCCC[NH2+][C@H]2CCCC23CCOCC3)C[C@H](C)O1 ZINC000367066096 429569903 /nfs/dbraw/zinc/56/99/03/429569903.db2.gz LODQSPCBRBWGOC-KSZLIROESA-N 2 0 324.509 2.815 20 0 DFADRP CCc1ccccc1NC(=O)[C@H](C)N1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000429034397 429572868 /nfs/dbraw/zinc/57/28/68/429572868.db2.gz IHUUOSJSRZIWIB-HNAYVOBHSA-N 2 0 315.461 2.604 20 0 DFADRP CC[N@@H+]1CC[C@H](N(C)C[C@@H](C)NC(=O)OC(C)(C)C)C[C@H]1C ZINC000492606922 429575962 /nfs/dbraw/zinc/57/59/62/429575962.db2.gz FVKPSICPXJAZQO-KFWWJZLASA-N 2 0 313.486 2.704 20 0 DFADRP CC[NH+]1CCC(N(CC(=O)Nc2cccc(F)c2)C2CC2)CC1 ZINC000367110346 429581537 /nfs/dbraw/zinc/58/15/37/429581537.db2.gz MQDBQTHILUDHPM-UHFFFAOYSA-N 2 0 319.424 2.713 20 0 DFADRP CN1CC[NH+]=C1NC[C@H]1CCC[N@H+](C)[C@@H]1c1cccc(Cl)c1 ZINC000366932233 429544289 /nfs/dbraw/zinc/54/42/89/429544289.db2.gz JXLIYHYETJSBHK-GDBMZVCRSA-N 2 0 320.868 2.614 20 0 DFADRP CC1=CCC[C@@H](C)[C@@H]1C[NH+]1CCC(C[NH+]2CCN(C)CC2)CC1 ZINC000377628944 275908285 /nfs/dbraw/zinc/90/82/85/275908285.db2.gz OYTILZSQKMYQOK-UYAOXDASSA-N 2 0 319.537 2.938 20 0 DFADRP CC[N@@H+]1CCCC[C@@H]1C(=O)Nc1ccc(C[NH+](C)C)c(C)c1 ZINC000458298467 429616267 /nfs/dbraw/zinc/61/62/67/429616267.db2.gz ZIXZZUWBHZNFGT-QGZVFWFLSA-N 2 0 303.450 2.870 20 0 DFADRP C[C@@H]1C[C@H](NC[C@H]2CC[NH+](C)[C@H]2c2ccccc2)C[N@@H+]1C1CC1 ZINC000367337196 429624708 /nfs/dbraw/zinc/62/47/08/429624708.db2.gz YDMNYFJPQAYRKZ-LBKNJMOBSA-N 2 0 313.489 2.894 20 0 DFADRP C[C@@H](O)CC[N@@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000450456790 429631976 /nfs/dbraw/zinc/63/19/76/429631976.db2.gz UKDIUACCQOYUMG-MJGOQNOKSA-N 2 0 302.462 2.745 20 0 DFADRP COCCCN(C)CC[NH2+]C1CC(c2cc(F)cc(F)c2)C1 ZINC000367369980 429633107 /nfs/dbraw/zinc/63/31/07/429633107.db2.gz JOOUBXDOPGKWGI-UHFFFAOYSA-N 2 0 312.404 2.769 20 0 DFADRP CC[N@@H+]1CC[C@H](N(C)CC(=O)Nc2ccc(C)cc2F)[C@@H](C)C1 ZINC000429809160 429634383 /nfs/dbraw/zinc/63/43/83/429634383.db2.gz QVFVDWKEIVPTJA-YOEHRIQHSA-N 2 0 321.440 2.735 20 0 DFADRP CCC[NH+]1CCC([N@H+](C)C[C@@H](O)[C@H](C)c2ccccc2)CC1 ZINC000450471605 429636112 /nfs/dbraw/zinc/63/61/12/429636112.db2.gz WIRGCNQSBLCVQF-VQIMIIECSA-N 2 0 304.478 2.957 20 0 DFADRP CCc1ccc2[nH+]ccc(N3CC[C@@H]([N@H+](C)CCO)[C@H]3C)c2c1 ZINC000450538458 429643332 /nfs/dbraw/zinc/64/33/32/429643332.db2.gz GGFUJHHVEKLSIJ-RDTXWAMCSA-N 2 0 313.445 2.689 20 0 DFADRP CCCCC[C@H](C)NC(=O)C[N@@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000367199186 429595539 /nfs/dbraw/zinc/59/55/39/429595539.db2.gz INGQDDDIFJUGPX-KRWDZBQOSA-N 2 0 323.525 2.879 20 0 DFADRP Cc1cnn(C)c1C[NH2+]C1CCC([NH+]2CCC(C)CC2)CC1 ZINC000367216171 429600431 /nfs/dbraw/zinc/60/04/31/429600431.db2.gz ATXOJZDREXNLCF-UHFFFAOYSA-N 2 0 304.482 2.861 20 0 DFADRP C[C@H](C(=O)N[C@@H](C[NH3+])C1CCCCC1)[N@H+](C)Cc1ccccc1 ZINC000429352051 429601925 /nfs/dbraw/zinc/60/19/25/429601925.db2.gz HIDBKIVRAOWQAK-QAPCUYQASA-N 2 0 317.477 2.531 20 0 DFADRP CC(C)[C@H](C(=O)NCC(C)(C)[NH+]1CCCCC1)[NH+]1CCCCC1 ZINC000523302598 429602564 /nfs/dbraw/zinc/60/25/64/429602564.db2.gz FJKAIRFQGZLYNE-QGZVFWFLSA-N 2 0 323.525 2.878 20 0 DFADRP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)CCc2ccc(Cl)cc2)CC1 ZINC000450365654 429611153 /nfs/dbraw/zinc/61/11/53/429611153.db2.gz PGVOYECMGKTRGE-OAHLLOKOSA-N 2 0 324.896 2.907 20 0 DFADRP Cc1c(F)cccc1NC(=O)CC[N@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000429537418 429614106 /nfs/dbraw/zinc/61/41/06/429614106.db2.gz FHAWFVMVFBLVAQ-OAHLLOKOSA-N 2 0 321.440 2.879 20 0 DFADRP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@@H+]2C[C@H]1CCC(F)(F)C1 ZINC000450600352 429658600 /nfs/dbraw/zinc/65/86/00/429658600.db2.gz NLLIBECSKFREPT-GBJTYRQASA-N 2 0 302.409 2.605 20 0 DFADRP C[N@@H+]1CC[C@H]([NH2+]Cc2cnn(-c3ccccc3)c2)[C@H]2CCC[C@H]21 ZINC000367517919 429664275 /nfs/dbraw/zinc/66/42/75/429664275.db2.gz FILBQPNWYKPMAG-CEXWTWQISA-N 2 0 310.445 2.835 20 0 DFADRP CCc1nn(C)c(CC)c1C[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@H]21 ZINC000367539338 429667473 /nfs/dbraw/zinc/66/74/73/429667473.db2.gz YRUUNJBICRTDNK-XCRHUMRWSA-N 2 0 304.482 2.507 20 0 DFADRP C[C@H]1C[N@H+](CC23CCC(CC2)C3)CC[C@H]1N1CC[NH+](C)CC1 ZINC000450640743 429668324 /nfs/dbraw/zinc/66/83/24/429668324.db2.gz GWNDGZJZCGJRLT-BKVYNOPKSA-N 2 0 305.510 2.525 20 0 DFADRP CCN(C(=O)CCC[NH2+]C)[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000368453900 276060413 /nfs/dbraw/zinc/06/04/13/276060413.db2.gz NCBYYDWSATZBEX-WMZOPIPTSA-N 2 0 317.477 2.670 20 0 DFADRP CC[NH+](CC)CCN[C@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272365331 276099572 /nfs/dbraw/zinc/09/95/72/276099572.db2.gz OBBSNNPJHVJEHH-IEBWSBKVSA-N 2 0 303.494 2.828 20 0 DFADRP CC[NH+](CC)C[C@@H]1CCN([C@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000271254540 276106710 /nfs/dbraw/zinc/10/67/10/276106710.db2.gz GGNGRCUBQFQSNX-PMACEKPBSA-N 2 0 315.505 2.925 20 0 DFADRP C[NH+](C)CC1(C(=O)NCCC[NH+]2CCCCCC2)CCCCC1 ZINC000493076931 429683565 /nfs/dbraw/zinc/68/35/65/429683565.db2.gz HKBPNMKCUODOFO-UHFFFAOYSA-N 2 0 323.525 2.881 20 0 DFADRP O=C1CCC(C[NH+]2CCC(CCC[NH+]3CCOCC3)CC2)CC1 ZINC000450710107 429683753 /nfs/dbraw/zinc/68/37/53/429683753.db2.gz PDQDYGPRUBVYTC-UHFFFAOYSA-N 2 0 322.493 2.570 20 0 DFADRP CC[N@@H+]1CC[C@H]([NH+](C)CCC(=O)Nc2ccccc2F)C[C@H]1C ZINC000354211857 276224873 /nfs/dbraw/zinc/22/48/73/276224873.db2.gz YPRYQLCKPIILQE-CABCVRRESA-N 2 0 321.440 2.959 20 0 DFADRP CSc1ccccc1NC(=O)[C@H](C)N1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000430543863 429689224 /nfs/dbraw/zinc/68/92/24/429689224.db2.gz NLZUINNQQQOJHI-HZSPNIEDSA-N 2 0 321.490 2.795 20 0 DFADRP CC[NH2+]CC1CC[NH+](CCC(=O)Nc2ccc(Cl)cc2)CC1 ZINC000430553592 429690098 /nfs/dbraw/zinc/69/00/98/429690098.db2.gz UGJBAQOWZYSZNZ-UHFFFAOYSA-N 2 0 323.868 2.990 20 0 DFADRP C[NH+](C)Cc1cccc(C[NH2+][C@@H]2CC[N@H+](C)[C@H]3CCC[C@H]32)c1 ZINC000367623258 429687105 /nfs/dbraw/zinc/68/71/05/429687105.db2.gz VJILDOXWKVEMTE-OTWHNJEPSA-N 3 0 301.478 2.711 20 0 DFADRP CCc1ccc(NC(=O)[C@H](C)N2CCC[C@H]([C@@H](C)[NH3+])C2)cc1 ZINC000430548538 429688948 /nfs/dbraw/zinc/68/89/48/429688948.db2.gz LXNIUOYXSPJLCZ-YCPHGPKFSA-N 2 0 303.450 2.635 20 0 DFADRP Cc1cccc2c1[nH+]cc(C)c2N1C[C@@H](C)[N@H+](CCO)[C@@H](C)C1 ZINC000450790804 429699358 /nfs/dbraw/zinc/69/93/58/429699358.db2.gz HPARPDXFPVOVPM-IYBDPMFKSA-N 2 0 313.445 2.743 20 0 DFADRP CCOCCC1(C[NH2+][C@@H]2CC[N@H+](C[C@@H]3CCCO3)C[C@H]2C)CC1 ZINC000376804763 276314250 /nfs/dbraw/zinc/31/42/50/276314250.db2.gz QXTDKKVAXDPDHB-FGTMMUONSA-N 2 0 324.509 2.672 20 0 DFADRP CC[N@H+](CC(=O)N[C@H](C)[C@H](c1ccccc1C)[NH+](C)C)C1CC1 ZINC000357876099 276314262 /nfs/dbraw/zinc/31/42/62/276314262.db2.gz SKJGTSLHCIGHME-DNVCBOLYSA-N 2 0 317.477 2.587 20 0 DFADRP C[C@](C[NH3+])([NH2+]CCOc1ccc(C(F)(F)F)cc1)C1CC1 ZINC000430596852 429699910 /nfs/dbraw/zinc/69/99/10/429699910.db2.gz XTPRWGHTBLULJJ-CQSZACIVSA-N 2 0 302.340 2.801 20 0 DFADRP CC(C)[C@](C)(C[NH3+])[NH2+]CCOc1ccc(Br)cc1 ZINC000430558605 429692770 /nfs/dbraw/zinc/69/27/70/429692770.db2.gz VZGIXJLZGVPJPM-AWEZNQCLSA-N 2 0 315.255 2.791 20 0 DFADRP Cc1cccc2ncc(C[N@H+](C)C[C@H]3CCn4ccnc4C3)n21 ZINC000367657787 429693888 /nfs/dbraw/zinc/69/38/88/429693888.db2.gz KMGHOFNGGRKPEL-HNNXBMFYSA-N 2 0 309.417 2.534 20 0 DFADRP CCN(CC[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@@H]21)CCC(F)(F)F ZINC000353608007 276349119 /nfs/dbraw/zinc/34/91/19/276349119.db2.gz QUOHMZNVIKGBBM-RBSFLKMASA-N 2 0 321.431 2.723 20 0 DFADRP Cc1ccc(Cl)cc1NC(=O)[C@H](C)[NH+]1CCC(C[NH3+])CC1 ZINC000430599343 429700781 /nfs/dbraw/zinc/70/07/81/429700781.db2.gz AJBVCWVXJBDIMP-LBPRGKRZSA-N 2 0 309.841 2.646 20 0 DFADRP C[N@H+](CCOc1ccccc1C(F)(F)F)C1CC[NH2+]CC1 ZINC000430640841 429706079 /nfs/dbraw/zinc/70/60/79/429706079.db2.gz KXYZDCJKTJQIPS-UHFFFAOYSA-N 2 0 302.340 2.768 20 0 DFADRP C[C@H]1C[NH+](Cc2ccc(C[NH2+]CC3(F)CC3)cc2)C[C@H](C)O1 ZINC000526973292 429712714 /nfs/dbraw/zinc/71/27/14/429712714.db2.gz ONZRKTFGWTWLJH-GJZGRUSLSA-N 2 0 306.425 2.888 20 0 DFADRP CCC(CC)(CNC(=O)C(C)(C)C[NH3+])[NH2+][C@H](C)c1ccccc1 ZINC000430725338 429712678 /nfs/dbraw/zinc/71/26/78/429712678.db2.gz QKPZXVLIFSDENS-OAHLLOKOSA-N 2 0 319.493 2.997 20 0 DFADRP CC(C)[C@@H](O)C[N@@H+]1CCC[C@H]([NH+](C)Cc2ccccc2)CC1 ZINC000367795451 429718562 /nfs/dbraw/zinc/71/85/62/429718562.db2.gz VVKLEUDWEBPVOP-OALUTQOASA-N 2 0 304.478 2.990 20 0 DFADRP C[C@@H](CC(=O)Nc1ccc(CC[NH+](C)C)cc1)C1CC[NH2+]CC1 ZINC000430880480 429721364 /nfs/dbraw/zinc/72/13/64/429721364.db2.gz YBULRLOCHUREIR-HNNXBMFYSA-N 2 0 317.477 2.755 20 0 DFADRP c1nc([C@H]2CCCO2)sc1C[NH+]1CCC2(CC[NH2+]C2)CC1 ZINC000430925970 429724354 /nfs/dbraw/zinc/72/43/54/429724354.db2.gz MQYWLJUMANSQCZ-CQSZACIVSA-N 2 0 307.463 2.570 20 0 DFADRP CCOCc1cc(C[NH+]2CCC3(CC[NH2+]C3)CC2)ccc1OC ZINC000430940046 429727312 /nfs/dbraw/zinc/72/73/12/429727312.db2.gz IRNNDFKPVHLHBV-UHFFFAOYSA-N 2 0 318.461 2.807 20 0 DFADRP C[C@@H]1C[N@H+](Cc2ccc(OCc3ccccn3)cc2)CC[C@H]1[NH3+] ZINC000430950793 429727783 /nfs/dbraw/zinc/72/77/83/429727783.db2.gz SMJPDFWVIXHCDX-DNVCBOLYSA-N 2 0 311.429 2.830 20 0 DFADRP Cc1ccc(NC(=O)[C@@H](C)[NH+]2CCC([C@@H](C)[NH3+])CC2)cc1F ZINC000430938091 429727811 /nfs/dbraw/zinc/72/78/11/429727811.db2.gz ADDUEDZUNMOIKE-CHWSQXEVSA-N 2 0 307.413 2.520 20 0 DFADRP c1nn(Cc2ccccc2)cc1C[NH+]1CCC2(CC[NH2+]C2)CC1 ZINC000430957311 429728673 /nfs/dbraw/zinc/72/86/73/429728673.db2.gz OEYGOQFVLPEQNW-UHFFFAOYSA-N 2 0 310.445 2.507 20 0 DFADRP C[C@@H](NC(=O)C[NH+]1CCC([C@H](C)[NH3+])CC1)c1ccc(Cl)cc1 ZINC000430966947 429731153 /nfs/dbraw/zinc/73/11/53/429731153.db2.gz QHKPFFBEUMVGFL-QWHCGFSZSA-N 2 0 323.868 2.576 20 0 DFADRP [NH3+]C[C@@H]1CC[N@H+](CCCOc2cccc(C(F)(F)F)c2)C1 ZINC000430965736 429731321 /nfs/dbraw/zinc/73/13/21/429731321.db2.gz LKLBQDVDRHWCBB-LBPRGKRZSA-N 2 0 302.340 2.755 20 0 DFADRP c1csc(-c2n[nH]cc2C[NH+]2CCC3(CC[NH2+]C3)CC2)c1 ZINC000430966588 429732096 /nfs/dbraw/zinc/73/20/96/429732096.db2.gz OYVWYAFRNVOZGB-UHFFFAOYSA-N 2 0 302.447 2.714 20 0 DFADRP Cc1sc(NC(=O)C[NH+]2CCC3(CC[NH2+]C3)CC2)c(C)c1C ZINC000431022569 429734798 /nfs/dbraw/zinc/73/47/98/429734798.db2.gz OFVUJYXQCZODQI-UHFFFAOYSA-N 2 0 321.490 2.687 20 0 DFADRP Cc1ccc(C[C@H]2CCC[N@@H+]2Cc2nc(C(C)(C)[NH3+])no2)cc1 ZINC000431073883 429739855 /nfs/dbraw/zinc/73/98/55/429739855.db2.gz NIVKASKKKUPGHX-OAHLLOKOSA-N 2 0 314.433 2.779 20 0 DFADRP C[C@H]1[C@H](Cc2ccccc2)CC[N@@H+]1Cc1nc(C(C)(C)[NH3+])no1 ZINC000431095501 429741212 /nfs/dbraw/zinc/74/12/12/429741212.db2.gz FUUPPVFWCGLIQJ-ZFWWWQNUSA-N 2 0 314.433 2.717 20 0 DFADRP C[C@H]1[C@H](c2ccccc2)CC[N@@H+]1Cc1nc(C(C)(C)[NH3+])no1 ZINC000431103120 429743619 /nfs/dbraw/zinc/74/36/19/429743619.db2.gz VWESXOTUTLTKON-GXTWGEPZSA-N 2 0 300.406 2.641 20 0 DFADRP C[C@H]1C[N@@H+]2CCC[C@H]2CN1Cc1cncn1Cc1ccccc1 ZINC000527324974 429743945 /nfs/dbraw/zinc/74/39/45/429743945.db2.gz UVAKJRMPRDGYSZ-WMZOPIPTSA-N 2 0 310.445 2.600 20 0 DFADRP c1cnn(-c2cccc(C[NH2+]C[C@H]3CCN3C3CCCC3)c2)c1 ZINC000527811956 429804075 /nfs/dbraw/zinc/80/40/75/429804075.db2.gz ZJCRHNNNXCKBPA-LJQANCHMSA-N 2 0 310.445 2.979 20 0 DFADRP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+]1CC[C@H](C)C[C@@H]1[C@@H](C)O ZINC000527496091 429752229 /nfs/dbraw/zinc/75/22/29/429752229.db2.gz RTMQWECITUFIRJ-JCKWVBRZSA-N 2 0 314.433 2.557 20 0 DFADRP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+]1CC[C@H](C)C[C@H]1[C@H](C)O ZINC000527496093 429753452 /nfs/dbraw/zinc/75/34/52/429753452.db2.gz RTMQWECITUFIRJ-YEWWUXTCSA-N 2 0 314.433 2.557 20 0 DFADRP C[C@@H]1CCC[C@@H]([NH2+]C[C@@H]2CCCN(C)[C@H]2c2ccnn2C)C1 ZINC000486954317 429757958 /nfs/dbraw/zinc/75/79/58/429757958.db2.gz JLOLLFMMKPAJOP-KYHPRHEASA-N 2 0 304.482 2.971 20 0 DFADRP Cn1c2cc(F)ccc2nc1NC[C@H]1CCCC[N@@H+]1C1CC1 ZINC000431428317 429762482 /nfs/dbraw/zinc/76/24/82/429762482.db2.gz TUXDVMGAZDHVEI-CQSZACIVSA-N 2 0 302.397 3.141 20 0 DFADRP CC(C)c1ncc2c(n1)CCN(Cc1ccc3c(c1)C[NH2+]CC3)C2 ZINC000527617185 429766418 /nfs/dbraw/zinc/76/64/18/429766418.db2.gz XCVFPMVOGMRZIC-UHFFFAOYSA-N 2 0 322.456 2.804 20 0 DFADRP Cc1cnn(C)c1C[N@H+]1CCC[C@@H]1Cn1ccnc1C(C)C ZINC000368021131 429768919 /nfs/dbraw/zinc/76/89/19/429768919.db2.gz XWVKHKKFQSDQDL-OAHLLOKOSA-N 2 0 301.438 2.713 20 0 DFADRP Cc1ccc(C[N@@H+](C)[C@H]2CCN(C3CC[NH+](C)CC3)C2)c(C)c1 ZINC000368050207 429775043 /nfs/dbraw/zinc/77/50/43/429775043.db2.gz DNFBUFYSIALEKM-FQEVSTJZSA-N 2 0 315.505 2.904 20 0 DFADRP C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)CC[C@@H]1CCCC[NH+]1C ZINC000431733883 429778889 /nfs/dbraw/zinc/77/88/89/429778889.db2.gz ANXGYIAZRIMCIV-XDNAFOTISA-N 2 0 323.525 2.734 20 0 DFADRP C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)CC[C@H]1CCCC[NH+]1C ZINC000431733884 429779347 /nfs/dbraw/zinc/77/93/47/429779347.db2.gz ANXGYIAZRIMCIV-XMTFNYHQSA-N 2 0 323.525 2.734 20 0 DFADRP C[C@@H]1CCC[N@H+](CCNC(=O)C[C@H](c2ccccc2)[NH+](C)C)C1 ZINC000431748856 429780352 /nfs/dbraw/zinc/78/03/52/429780352.db2.gz JCLJPVOXPJZHNC-SJLPKXTDSA-N 2 0 317.477 2.528 20 0 DFADRP CC[C@H](C)[N@H+](C)CCNC(=O)[C@H]1CCCC[NH+]1C1CCCC1 ZINC000431788939 429782895 /nfs/dbraw/zinc/78/28/95/429782895.db2.gz OVLNNLVMCQZNCX-DOTOQJQBSA-N 2 0 309.498 2.630 20 0 DFADRP CC1=C[C@H](C)C[C@@H](C[NH2+][C@@H]2CCN(C3CC[NH+](C)CC3)C2)C1 ZINC000368088311 429784923 /nfs/dbraw/zinc/78/49/23/429784923.db2.gz GJRUCLSDMIAWKF-CGTJXYLNSA-N 2 0 305.510 2.737 20 0 DFADRP O=C(NCC[NH+]1CCCCCC1)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC000431913955 429789643 /nfs/dbraw/zinc/78/96/43/429789643.db2.gz OVEZKGDDDBYCBA-GOSISDBHSA-N 2 0 321.509 2.776 20 0 DFADRP CC(C)[NH+]1CCN([C@@H]2CC[N@@H+]([C@@H]3C[C@@H]3c3ccccc3)C2)CC1 ZINC000368273471 429821017 /nfs/dbraw/zinc/82/10/17/429821017.db2.gz MSSVEQSJGGAIBO-VAMGGRTRSA-N 2 0 313.489 2.643 20 0 DFADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@@]2(C)COc3ccccc3O2)[C@H](C)C1 ZINC000527928002 429822145 /nfs/dbraw/zinc/82/21/45/429822145.db2.gz DAFGUKRPFLCQNY-VKJFTORMSA-N 2 0 304.434 2.536 20 0 DFADRP C[C@@H]([NH2+]CC12CC(C1)CO2)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000527977411 429829249 /nfs/dbraw/zinc/82/92/49/429829249.db2.gz FKWPDRWLNQYBGY-IZIZEDOESA-N 2 0 300.446 2.666 20 0 DFADRP OC1CC(C[NH2+][C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)C1 ZINC000528016500 429837062 /nfs/dbraw/zinc/83/70/62/429837062.db2.gz ASCNVVWGXRSWEU-ZSDFWYKJSA-N 2 0 314.473 2.648 20 0 DFADRP CN1CC[NH+](CC2(C)CC[NH+]([C@@H]3CCC(C)(C)C3)CC2)CC1 ZINC000368401161 429842951 /nfs/dbraw/zinc/84/29/51/429842951.db2.gz YLVRWOHVSARZDH-QGZVFWFLSA-N 2 0 307.526 2.915 20 0 DFADRP CC(=O)N1CCCN(C[C@H]2CCC[N@@H+]([C@@H](C)CC(C)C)C2)CC1 ZINC000451529153 429843985 /nfs/dbraw/zinc/84/39/85/429843985.db2.gz MJFKJSFCZHCMET-PKOBYXMFSA-N 2 0 323.525 2.687 20 0 DFADRP O[C@]1(c2ccc(F)cc2)CCN(CCC[NH+]2CCCCC2)C1 ZINC000368421301 429845428 /nfs/dbraw/zinc/84/54/28/429845428.db2.gz ZKCYLWZSPIVKLO-GOSISDBHSA-N 2 0 306.425 2.595 20 0 DFADRP Cc1cc([C@@H]2CCC[N@H+]2CCCN2CC[NH+](C(C)C)CC2)no1 ZINC000368520711 429860249 /nfs/dbraw/zinc/86/02/49/429860249.db2.gz XWDNFZUVAVQCFS-SFHVURJKSA-N 2 0 320.481 2.536 20 0 DFADRP CC[NH+](CC)Cc1ccccc1CNC(=O)[C@]1(CC)CC[NH2+]C1 ZINC000368517297 429860525 /nfs/dbraw/zinc/86/05/25/429860525.db2.gz ZIRKTNSAEGZQPI-LJQANCHMSA-N 2 0 317.477 2.534 20 0 DFADRP Cc1cc(NC[C@@H]2CC[N@@H+]2C2CCCC2)nc(-c2ccncc2)n1 ZINC000528209280 429861979 /nfs/dbraw/zinc/86/19/79/429861979.db2.gz MNWKHBQMQQCPLO-KRWDZBQOSA-N 2 0 323.444 2.698 20 0 DFADRP C[C@]1(CNC(=[NH2+])Nc2ccccn2)CC[N@H+](Cc2ccccc2)C1 ZINC000368532451 429863606 /nfs/dbraw/zinc/86/36/06/429863606.db2.gz YUKCTBASEKNICU-LJQANCHMSA-N 2 0 323.444 2.930 20 0 DFADRP C[C@@H](CNC(=O)C1(C[NH+](C)C)CCCCC1)[N@@H+]1CCCC[C@@H]1C ZINC000494306301 429866057 /nfs/dbraw/zinc/86/60/57/429866057.db2.gz CZDNFIKWZJAPBP-IRXDYDNUSA-N 2 0 323.525 2.878 20 0 DFADRP C[C@H]([NH2+][C@@H](CN1CC[NH+](C)CC1)c1ccccc1)[C@@H]1CC12CC2 ZINC000527860397 429812130 /nfs/dbraw/zinc/81/21/30/429812130.db2.gz VIUAHTKRURAWCL-WDSOQIARSA-N 2 0 313.489 2.753 20 0 DFADRP C[N@@H+]1CC[C@H]([NH2+]CCCc2nc3ccccc3[nH]2)[C@H]2CCC[C@H]21 ZINC000368607121 429877749 /nfs/dbraw/zinc/87/77/49/429877749.db2.gz GVIRAFJLEKNDKG-RVKKMQEKSA-N 2 0 312.461 2.958 20 0 DFADRP CSCCCCC[NH2+][C@@H]1CC[N@H+](C[C@@H]2CCCO2)C[C@H]1C ZINC000368633105 429879713 /nfs/dbraw/zinc/87/97/13/429879713.db2.gz KULFRSITQPKKAV-IXDOHACOSA-N 2 0 314.539 2.999 20 0 DFADRP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CC[NH+](CC2CC(C)(C)C2)CC1 ZINC000528365821 429879908 /nfs/dbraw/zinc/87/99/08/429879908.db2.gz MQWUPJFIYYMGPW-IAGOWNOFSA-N 2 0 307.526 2.913 20 0 DFADRP CC[N@@H+]1CC[C@H](C[NH2+][C@@H](C)C[C@H](C)NC(=O)OC(C)(C)C)C1 ZINC000494555962 429880425 /nfs/dbraw/zinc/88/04/25/429880425.db2.gz SMMGORSVYHGWNK-SOUVJXGZSA-N 2 0 313.486 2.610 20 0 DFADRP CO[C@H](CN1CC[C@@]2(C1)CCC[N@H+](C)C2)c1ccc(F)cc1 ZINC000528511713 429895369 /nfs/dbraw/zinc/89/53/69/429895369.db2.gz HCZNKUYZSHENIG-MSOLQXFVSA-N 2 0 306.425 2.931 20 0 DFADRP C[NH+]1CCC(NC[C@@]2(C)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000369183931 429917966 /nfs/dbraw/zinc/91/79/66/429917966.db2.gz ONPAVFCOYKEZFS-LJQANCHMSA-N 2 0 301.478 2.582 20 0 DFADRP CC(C)[NH+]1CCC(NC(=O)C[N@H+](C)[C@H](C)C2CCCCC2)CC1 ZINC000556958972 429923842 /nfs/dbraw/zinc/92/38/42/429923842.db2.gz VHGZCRYTHPFTTH-MRXNPFEDSA-N 2 0 323.525 2.876 20 0 DFADRP c1ccc(CC[N@@H+]2CC[C@H](C[NH2+]C[C@H]3CCSC3)C2)cc1 ZINC000369328465 429923954 /nfs/dbraw/zinc/92/39/54/429923954.db2.gz BDZYTGYKENZEAW-QZTJIDSGSA-N 2 0 304.503 2.894 20 0 DFADRP [NH3+][C@@H]1CCO[C@H](C2CC[NH+](Cc3cnc(C4CC4)s3)CC2)C1 ZINC000556963843 429924108 /nfs/dbraw/zinc/92/41/08/429924108.db2.gz LXPOWABJUWTMKZ-ZBFHGGJFSA-N 2 0 321.490 2.739 20 0 DFADRP CC[C@H](c1ccccc1)[NH+]1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000369352754 429927590 /nfs/dbraw/zinc/92/75/90/429927590.db2.gz AIZMXABJTOSMNO-RBUKOAKNSA-N 2 0 301.478 2.850 20 0 DFADRP CC1CCC([NH2+]Cc2ccccc2C[N@@H+]2CC[C@@H](O)C2)CC1 ZINC000557898070 429958695 /nfs/dbraw/zinc/95/86/95/429958695.db2.gz ZBBLMSOLCKBQEG-XUJQIHCRSA-N 2 0 302.462 2.922 20 0 DFADRP O[C@@]1(C[NH2+]C2(C3CCC3)CC2)CCN(Cc2ccccc2)C1 ZINC000639728703 429962513 /nfs/dbraw/zinc/96/25/13/429962513.db2.gz DHDMRSJEKZQBOK-GOSISDBHSA-N 2 0 300.446 2.546 20 0 DFADRP C[NH+]1CCN(c2cc[nH+]cc2N[C@@H]2CCc3ccccc32)CC1 ZINC000558119512 429962755 /nfs/dbraw/zinc/96/27/55/429962755.db2.gz POMOWZJEWFCZJO-QGZVFWFLSA-N 2 0 308.429 2.933 20 0 DFADRP COc1cncc(/C=C\CC[N@@H+]2CCC3(C2)CC[NH+](C)CC3)c1 ZINC000639756274 429971109 /nfs/dbraw/zinc/97/11/09/429971109.db2.gz UMGMGILRHMHIOG-HYXAFXHYSA-N 2 0 315.461 2.911 20 0 DFADRP CC(C)C[C@H](CNC(=O)CCC[NH3+])[NH2+][C@H](C)c1ccccc1 ZINC000573717752 429976464 /nfs/dbraw/zinc/97/64/64/429976464.db2.gz BEHMKNDKRIQCET-NVXWUHKLSA-N 2 0 305.466 2.607 20 0 DFADRP C[C@H]([NH2+][C@H]1CC[NH2+][C@H](C)C1)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000573831626 429985699 /nfs/dbraw/zinc/98/56/99/429985699.db2.gz DMYCZIHPOSMDPT-DYEKYZERSA-N 2 0 301.434 2.707 20 0 DFADRP C[C@@H](c1ccc(F)cc1)N1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000369360926 429930768 /nfs/dbraw/zinc/93/07/68/429930768.db2.gz ZGZLOPWXXXWZGO-MAUKXSAKSA-N 2 0 305.441 2.599 20 0 DFADRP Cc1cc(C[NH+](C)C)cc(NC(=O)C[N@@H+]2CCC(C)(C)C2)c1 ZINC000557663386 429950524 /nfs/dbraw/zinc/95/05/24/429950524.db2.gz KZTPEDFUMAKRPM-UHFFFAOYSA-N 2 0 303.450 2.727 20 0 DFADRP C[N@@H+]1CCC[C@@H]1CN[C@H]1CC[NH+](Cc2ccccc2)C2(CC2)C1 ZINC000574322192 430030676 /nfs/dbraw/zinc/03/06/76/430030676.db2.gz RCCUCPXHOXVDTB-RBUKOAKNSA-N 2 0 313.489 2.867 20 0 DFADRP Cc1ccc(C[NH+]2CC[C@H](C[N@@H+](C)CCC[C@H](C)O)C2)s1 ZINC000574330391 430031402 /nfs/dbraw/zinc/03/14/02/430031402.db2.gz UDNOKAHOGKJFAV-GOEBONIOSA-N 2 0 310.507 2.971 20 0 DFADRP C[N@@H+]1CCC[C@H]1CN[C@@H]1CC[NH+](Cc2ccccc2)C2(CC2)C1 ZINC000574322184 430031548 /nfs/dbraw/zinc/03/15/48/430031548.db2.gz RCCUCPXHOXVDTB-MOPGFXCFSA-N 2 0 313.489 2.867 20 0 DFADRP CC[C@H](C)NC(=O)[C@H](C)N1CCC(CC)([NH+]2CCCC2)CC1 ZINC000639988023 430045962 /nfs/dbraw/zinc/04/59/62/430045962.db2.gz MHSDRNITXQOWBP-HOTGVXAUSA-N 2 0 309.498 2.630 20 0 DFADRP C[NH+](C)CCOc1ccccc1C[NH2+]C[C@H](O)CC1CCCC1 ZINC000573955182 429997118 /nfs/dbraw/zinc/99/71/18/429997118.db2.gz ZZLAGKUITOBPDK-GOSISDBHSA-N 2 0 320.477 2.658 20 0 DFADRP C[C@@H]1C[N@@H+]([C@@H]2C=CCCCCC2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000559146040 429999535 /nfs/dbraw/zinc/99/95/35/429999535.db2.gz VCGXUGCDWNWZTR-QRVBRYPASA-N 2 0 305.510 2.833 20 0 DFADRP CC[N@H+](C)C[C@@H](O)CN1CCC[C@@H]1Cc1ccccc1Cl ZINC000574023304 430003282 /nfs/dbraw/zinc/00/32/82/430003282.db2.gz AEIURVUHQMBERR-HZPDHXFCSA-N 2 0 310.869 2.660 20 0 DFADRP C[C@H]1CCCC[N@@H+]1CCCC[NH2+]C[C@H](O)Cc1ccccc1 ZINC000574032811 430004280 /nfs/dbraw/zinc/00/42/80/430004280.db2.gz WSFHGLZNPGHOIC-PKOBYXMFSA-N 2 0 304.478 2.834 20 0 DFADRP CC[C@@H](C)C[C@H](CC)[NH2+]CC(=O)NCC[NH+]1CCCCCC1 ZINC000574215043 430021599 /nfs/dbraw/zinc/02/15/99/430021599.db2.gz VTUYJSWKSCABDL-SJORKVTESA-N 2 0 311.514 2.783 20 0 DFADRP C[C@H]([NH2+]C1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1)C1CC(F)(F)C1 ZINC000529543397 430025917 /nfs/dbraw/zinc/02/59/17/430025917.db2.gz KOWHDFOJSOANNW-RCBQFDQVSA-N 2 0 316.436 2.778 20 0 DFADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C[NH2+][C@@H]1CCCC[C@H]1O ZINC000634723658 430089466 /nfs/dbraw/zinc/08/94/66/430089466.db2.gz AGUSFAQSFRDAKK-NXWXRZEISA-N 2 0 302.462 2.648 20 0 DFADRP C[C@@H](CC(=O)N1CCCCCC1)[NH2+][C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000634732498 430093735 /nfs/dbraw/zinc/09/37/35/430093735.db2.gz HRGVPLKJRSZALL-JKSUJKDBSA-N 2 0 309.498 2.535 20 0 DFADRP CC(C)(C)CC(=O)N1CCC([NH2+][C@@H]2CC[NH2+]CC(C)(C)C2)CC1 ZINC000634732673 430093871 /nfs/dbraw/zinc/09/38/71/430093871.db2.gz LUQPFUDKRFLZOD-MRXNPFEDSA-N 2 0 323.525 2.781 20 0 DFADRP CO[C@H](C[NH+]1CCC([C@H]2CCC[NH2+]2)CC1)c1ccc(F)cc1 ZINC000530222409 430105316 /nfs/dbraw/zinc/10/53/16/430105316.db2.gz MVLUISZRAXJUME-QZTJIDSGSA-N 2 0 306.425 2.977 20 0 DFADRP CO[C@@H](C[N@@H+]1CC2(C[C@H]1C)CC[NH2+]CC2)c1ccc(F)cc1 ZINC000530227391 430106057 /nfs/dbraw/zinc/10/60/57/430106057.db2.gz WZMVJIVAGLMKGF-PBHICJAKSA-N 2 0 306.425 2.977 20 0 DFADRP CC(C)[C@@H]1CN(C[C@]2(C)CC[NH2+]C2)CC[N@@H+]1Cc1ccccc1 ZINC000530245157 430107607 /nfs/dbraw/zinc/10/76/07/430107607.db2.gz UZLNOKQLQNXLPK-VQTJNVASSA-N 2 0 315.505 2.828 20 0 DFADRP Clc1sccc1C[NH+]1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000530240256 430108067 /nfs/dbraw/zinc/10/80/67/430108067.db2.gz CNFQERTUKAJSHY-CQSZACIVSA-N 2 0 314.882 2.992 20 0 DFADRP CC(C)[C@H](CO)C[NH2+][C@H](C)c1ccc(OCC[NH+](C)C)cc1 ZINC000562063602 430108408 /nfs/dbraw/zinc/10/84/08/430108408.db2.gz FAIJPEWZQJLTSZ-WBVHZDCISA-N 2 0 308.466 2.542 20 0 DFADRP C[C@H]([NH2+][C@H]1CCc2nc[nH]c2C1)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000562101095 430108570 /nfs/dbraw/zinc/10/85/70/430108570.db2.gz ZGRJUBKWRAKALT-AAEUAGOBSA-N 2 0 324.428 2.848 20 0 DFADRP Cc1ncc([C@H](C)[NH2+]CCCN2CC[NH+](C(C)C)CC2)s1 ZINC000639995380 430050699 /nfs/dbraw/zinc/05/06/99/430050699.db2.gz KRJFATHFHZHBMP-AWEZNQCLSA-N 2 0 310.511 2.518 20 0 DFADRP C[C@H]1CCC[C@@H]([NH+]2CCC([NH2+]CCc3cncn3C)CC2)C1 ZINC000530355010 430113191 /nfs/dbraw/zinc/11/31/91/430113191.db2.gz SZDWLYBPDDKPOW-DOTOQJQBSA-N 2 0 304.482 2.595 20 0 DFADRP C[NH+](C)CCOc1cccc(C[NH2+][C@H]2CCOC(C)(C)C2)c1 ZINC000634679385 430074297 /nfs/dbraw/zinc/07/42/97/430074297.db2.gz STMDGPQKPIXRSE-INIZCTEOSA-N 2 0 306.450 2.674 20 0 DFADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CC(C)(C)CO2)[C@@H](C)C1 ZINC000634686660 430077365 /nfs/dbraw/zinc/07/73/65/430077365.db2.gz PJAGNGUEJDRJTR-ULQDDVLXSA-N 2 0 312.498 2.528 20 0 DFADRP CC[N@H+](C)C[C@H](O)CN(Cc1ccc([C@@H]2C[C@@H]2C)o1)C1CC1 ZINC000580840995 430156383 /nfs/dbraw/zinc/15/63/83/430156383.db2.gz GEAADRJCOAVRLL-JLJPHGGASA-N 2 0 306.450 2.680 20 0 DFADRP Cn1c2ccccc2nc1N[C@@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC000535689084 430166028 /nfs/dbraw/zinc/16/60/28/430166028.db2.gz CXTHPVGYFILAHG-NVXWUHKLSA-N 2 0 314.433 2.629 20 0 DFADRP CC[NH+](CC)CC1CC[NH+]([C@H](c2nccn2C)C2CC2)CC1 ZINC000637904153 430168393 /nfs/dbraw/zinc/16/83/93/430168393.db2.gz BJRCJHSNVPMWDT-KRWDZBQOSA-N 2 0 304.482 2.925 20 0 DFADRP C[C@@H]1C[N@@H+](Cc2ccc(CNCc3ccon3)cc2)C[C@H](C)O1 ZINC000634951534 430173027 /nfs/dbraw/zinc/17/30/27/430173027.db2.gz ZHLMGSGTCSGXQX-GASCZTMLSA-N 2 0 315.417 2.574 20 0 DFADRP C[C@@H](CCc1n[nH]c2ccccc21)[N@@H+]1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000562748207 430176047 /nfs/dbraw/zinc/17/60/47/430176047.db2.gz ZLZWJCSSVRVLAW-QWQRMKEZSA-N 2 0 300.450 2.801 20 0 DFADRP C[C@H]([NH2+][C@H]1CCC[NH2+]CC1)c1ccc(NC(=O)C2CC2)cc1 ZINC000580550463 430134244 /nfs/dbraw/zinc/13/42/44/430134244.db2.gz HJRFMHLGUZQMIP-BBRMVZONSA-N 2 0 301.434 2.828 20 0 DFADRP [NH3+]Cc1ccc(C[NH2+]C2CCN(CCC(F)(F)F)CC2)cc1 ZINC000580551493 430134315 /nfs/dbraw/zinc/13/43/15/430134315.db2.gz PELDOJWNGFJUGO-UHFFFAOYSA-N 2 0 315.383 2.652 20 0 DFADRP C[NH2+]Cc1cccc(NC(=O)C[N@H+](C)CCc2ccccc2)c1 ZINC000637809484 430134993 /nfs/dbraw/zinc/13/49/93/430134993.db2.gz ROLBMNONUVZPFN-UHFFFAOYSA-N 2 0 311.429 2.519 20 0 DFADRP CC[NH2+]Cc1cccc(NC(=O)Cc2cccc3c2CC[NH2+]C3)c1 ZINC000637809176 430135759 /nfs/dbraw/zinc/13/57/59/430135759.db2.gz RUOHAAIFGWTIRC-UHFFFAOYSA-N 2 0 323.440 2.623 20 0 DFADRP CC[C@@H]1[C@@H](C(=O)NC[C@H]([NH3+])c2ccc(C(C)C)cc2)CC[N@@H+]1C ZINC000637830681 430140164 /nfs/dbraw/zinc/14/01/64/430140164.db2.gz CIZNJGBRTJGZCT-OKZBNKHCSA-N 2 0 317.477 2.656 20 0 DFADRP COC(=O)[C@@H]1CCCCC[C@@H]1[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000562522813 430142432 /nfs/dbraw/zinc/14/24/32/430142432.db2.gz GFMZQRNPENPFSR-SJORKVTESA-N 2 0 308.466 2.572 20 0 DFADRP C[N@@H+]1CCC[C@@H](N2CC[NH+]([C@H]3CCCc4ccccc43)CC2)C1 ZINC000369353292 277053793 /nfs/dbraw/zinc/05/37/93/277053793.db2.gz BXGYTPRHJFDRHS-QUCCMNQESA-N 2 0 313.489 2.776 20 0 DFADRP C[N@@H+]1CCC[C@H]1CC[NH+]1CCC[C@H](C(=O)NC2CCCCC2)C1 ZINC000371330130 277078089 /nfs/dbraw/zinc/07/80/89/277078089.db2.gz QVEDRJBFIALDCC-WMZOPIPTSA-N 2 0 321.509 2.632 20 0 DFADRP C[C@H](CCCC[NH3+])[NH2+]C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000635004611 430194467 /nfs/dbraw/zinc/19/44/67/430194467.db2.gz PVSBKVMHAZPYTN-SCTDSRPQSA-N 3 0 303.494 2.862 20 0 DFADRP CCO[C@@H]1C[C@H]([NH2+][C@H]2CC[C@H](C[NH3+])CC2)[C@H]1Oc1ccccc1 ZINC000635005730 430194770 /nfs/dbraw/zinc/19/47/70/430194770.db2.gz OXKDSGPBJVCLIL-WAARBJQMSA-N 2 0 318.461 2.719 20 0 DFADRP CCCCOc1ccc(C[N@@H+]2C[C@@H](C)[C@@H](C[NH3+])C2)cc1OC ZINC000635000238 430189172 /nfs/dbraw/zinc/18/91/72/430189172.db2.gz JYAGHONMXHIHEG-ZBFHGGJFSA-N 2 0 306.450 2.901 20 0 DFADRP Cc1nn(-c2ccc(Cl)cc2)cc1C[N@@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000634999004 430190064 /nfs/dbraw/zinc/19/00/64/430190064.db2.gz OLHLFSMCYSJXIS-TZMCWYRMSA-N 2 0 318.852 2.861 20 0 DFADRP CC(C)N1CCC[C@@H]([N@H+](C)CCCC[NH+]2CCCCC2)C1=O ZINC000640532285 430191167 /nfs/dbraw/zinc/19/11/67/430191167.db2.gz CPBYFOMHKSJRSJ-QGZVFWFLSA-N 2 0 309.498 2.584 20 0 DFADRP C[C@@H](C(=O)N1CCC(C)CC1)[N@H+](C)CCCC[NH+]1CCCCC1 ZINC000640532550 430191552 /nfs/dbraw/zinc/19/15/52/430191552.db2.gz SYCJDRAZAFEPGW-SFHVURJKSA-N 2 0 323.525 2.831 20 0 DFADRP C[C@H](CC1CCCCC1)C[N@@H+]1CC[C@H](n2cc(C[NH3+])nn2)C1 ZINC000635000835 430192046 /nfs/dbraw/zinc/19/20/46/430192046.db2.gz WUPNAIBRWNWWOL-PBHICJAKSA-N 2 0 305.470 2.590 20 0 DFADRP CCCCOc1cc(C[N@@H+]2C[C@H](C)[C@H](C[NH3+])C2)ccc1OC ZINC000635000790 430192324 /nfs/dbraw/zinc/19/23/24/430192324.db2.gz VRSOXILZGZXRCV-GOEBONIOSA-N 2 0 306.450 2.901 20 0 DFADRP C[C@H](N[C@H](C[NH+](C)C)c1cccc(C(F)(F)F)c1)C1C[NH2+]C1 ZINC000635002981 430192354 /nfs/dbraw/zinc/19/23/54/430192354.db2.gz CVHMHLLSOFJXNY-XHDPSFHLSA-N 2 0 315.383 2.506 20 0 DFADRP C[C@@H]([NH2+][C@@H]1[C@H]2Cc3cc(Br)ccc3[C@@H]12)[C@@H]1CC[NH2+]C1 ZINC000635001420 430192565 /nfs/dbraw/zinc/19/25/65/430192565.db2.gz RVFAQYBAYYRSEG-DKQGAXAQSA-N 2 0 321.262 2.675 20 0 DFADRP C[C@@H]([NH2+][C@H]1CC[C@H](C[NH3+])CC1)c1ccc(C(=O)N(C)C)cc1 ZINC000635005113 430192891 /nfs/dbraw/zinc/19/28/91/430192891.db2.gz MPMVZAHEHZSEGW-CKEIUWERSA-N 2 0 303.450 2.557 20 0 DFADRP Cn1nccc1[C@@H]1CCC[C@H]([NH2+][C@H]2CC[NH2+]CC(C)(C)C2)C1 ZINC000635007715 430193292 /nfs/dbraw/zinc/19/32/92/430193292.db2.gz BEDLOSOQFPQKFR-PMPSAXMXSA-N 2 0 304.482 2.814 20 0 DFADRP [NH3+]C[C@H]1CC[C@H]([NH2+]C2CCN(CCc3ccccc3)CC2)CC1 ZINC000635006360 430193395 /nfs/dbraw/zinc/19/33/95/430193395.db2.gz MIDPLSXYTRPXLU-WGSAOQKQSA-N 2 0 315.505 2.801 20 0 DFADRP C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2cc3ccccc3[nH]c2=O)C1 ZINC000290572576 277156047 /nfs/dbraw/zinc/15/60/47/277156047.db2.gz TYLIZTDYLGBNII-MAUKXSAKSA-N 2 0 311.429 2.857 20 0 DFADRP COc1ccc([C@H](N[C@H]2CC[C@H](C[NH3+])CC2)[C@@H]2CCC[NH2+]2)cc1 ZINC000635004416 430193737 /nfs/dbraw/zinc/19/37/37/430193737.db2.gz IPUIHNJGAAPNDW-CBVHJVASSA-N 2 0 317.477 2.595 20 0 DFADRP C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1C[NH2+]C1CCC([NH3+])CC1 ZINC000635005181 430194246 /nfs/dbraw/zinc/19/42/46/430194246.db2.gz SANNPNCOGWCJQY-XMZVIZOASA-N 3 0 301.478 2.614 20 0 DFADRP Cc1ccc(CN2CC[C@H]([NH2+][C@@H](C)[C@@H]3CCC[NH2+]C3)C2)cc1 ZINC000635010797 430195247 /nfs/dbraw/zinc/19/52/47/430195247.db2.gz BJLNDSAKKLPQPG-UHOSZYNNSA-N 2 0 301.478 2.547 20 0 DFADRP C[C@H](Nc1cc(N2CC[NH2+]CC2)cc[nH+]1)c1ccc(Cl)cn1 ZINC000635010527 430195823 /nfs/dbraw/zinc/19/58/23/430195823.db2.gz SRPHIJQLNNFURJ-LBPRGKRZSA-N 2 0 317.824 2.713 20 0 DFADRP COc1cccc([C@H](C)Nc2cc(N3CC[NH2+]CC3)cc[nH+]2)c1 ZINC000635009239 430196220 /nfs/dbraw/zinc/19/62/20/430196220.db2.gz MLSAWFUJJKQMRJ-AWEZNQCLSA-N 2 0 312.417 2.673 20 0 DFADRP CC(C)[C@H]1CC[NH+](CC2(C[N@H+]3CC[C@H](C(C)C)C3)COC2)C1 ZINC000541999898 430197910 /nfs/dbraw/zinc/19/79/10/430197910.db2.gz FKDNIAAENGDQLD-ROUUACIJSA-N 2 0 308.510 2.959 20 0 DFADRP COCC[C@H](C)[NH2+][C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000180162825 277239382 /nfs/dbraw/zinc/23/93/82/277239382.db2.gz TWIBGGAABZRWFV-DSLXNQLJSA-N 2 0 302.462 2.912 20 0 DFADRP CC[N@@H+]1CC[C@@H](N(C)c2nc(C)nc3c2CCCC3)[C@@H](C)C1 ZINC000542020212 430200323 /nfs/dbraw/zinc/20/03/23/430200323.db2.gz UJWJUIHSWIMMQT-SUMWQHHRSA-N 2 0 302.466 2.830 20 0 DFADRP COC(=O)C[C@@H]1CC[C@@H]([NH2+]C2CC[NH+](C3CCCC3)CC2)[C@@H]1C ZINC000373391407 277325668 /nfs/dbraw/zinc/32/56/68/277325668.db2.gz VSJMTVFLLOTACO-RVKKMQEKSA-N 2 0 322.493 2.961 20 0 DFADRP c1ccc([C@H](NC[C@H]2CC[N@@H+](C3CC3)C2)c2cncnc2)cc1 ZINC000542670131 430220154 /nfs/dbraw/zinc/22/01/54/430220154.db2.gz BTFIJSSXVZGPDM-BEFAXECRSA-N 2 0 308.429 2.640 20 0 DFADRP C[C@H]([NH2+]CC1CC[NH2+]CC1)c1ncc(Br)s1 ZINC000565710386 430222273 /nfs/dbraw/zinc/22/22/73/430222273.db2.gz MBCXEGFLGOBITB-QMMMGPOBSA-N 2 0 304.257 2.556 20 0 DFADRP CC[NH2+][C@H](C)C(=O)NCc1ccccc1C[NH+]1CCC(C)CC1 ZINC000638063337 430223454 /nfs/dbraw/zinc/22/34/54/430223454.db2.gz LRIIIIZEDGMGGN-MRXNPFEDSA-N 2 0 317.477 2.533 20 0 DFADRP Cc1ccc(C[N@@H+](C)CC2CC[NH+](C[C@@H](C)O)CC2)c(F)c1 ZINC000638045808 430216675 /nfs/dbraw/zinc/21/66/75/430216675.db2.gz RREZIOIRRAZVFF-OAHLLOKOSA-N 2 0 308.441 2.659 20 0 DFADRP CC[C@H](C)[C@@H](C[NH+]1CCC(OCC[NH+]2CCCC2)CC1)OC ZINC000638126266 430244726 /nfs/dbraw/zinc/24/47/26/430244726.db2.gz SOJXFABIMRMZCW-FUHWJXTLSA-N 2 0 312.498 2.624 20 0 DFADRP CC[C@]1(C[NH2+][C@H]2CN(C3CC3)C[C@@H]2C)OCCc2ccccc21 ZINC000581973462 430256864 /nfs/dbraw/zinc/25/68/64/430256864.db2.gz OMINJMMMAVJNIL-RYGJVYDSSA-N 2 0 314.473 2.937 20 0 DFADRP C[C@@H]([NH2+]Cc1ccc(N2CCCCC2)nc1)[C@H]1CCC[NH2+]C1 ZINC000581997112 430257742 /nfs/dbraw/zinc/25/77/42/430257742.db2.gz WTVFCONQMPKGGO-WBVHZDCISA-N 2 0 302.466 2.550 20 0 DFADRP CC(C)CC[C@H]([NH3+])C(=O)N[C@H](C[NH3+])c1ccc2ccccc2c1 ZINC000638205369 430274209 /nfs/dbraw/zinc/27/42/09/430274209.db2.gz PLVNJFSVNQGHFT-ZWKOTPCHSA-N 2 0 313.445 2.719 20 0 DFADRP CC(C)CC[C@H]([NH3+])C(=O)N1CC[NH2+]C[C@@H]1c1cccc(Cl)c1 ZINC000638217251 430275332 /nfs/dbraw/zinc/27/53/32/430275332.db2.gz JKGRQFDEJUAKBN-JKSUJKDBSA-N 2 0 323.868 2.576 20 0 DFADRP Cc1[nH+]ccc(N2CCC[C@H]([NH+]3CCOCC3)CC2)c1Cl ZINC000567179788 430279732 /nfs/dbraw/zinc/27/97/32/430279732.db2.gz UYNHJGTVNKHWEV-AWEZNQCLSA-N 2 0 309.841 2.735 20 0 DFADRP Cc1nn(-c2cc[nH+]cc2)cc1C[NH+]1CCC(c2c[nH]cn2)CC1 ZINC000544351128 430279775 /nfs/dbraw/zinc/27/97/75/430279775.db2.gz PNUHEJKFOFHXRJ-UHFFFAOYSA-N 2 0 322.416 2.678 20 0 DFADRP COCC[C@H](Cc1ccco1)[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000544368660 430280098 /nfs/dbraw/zinc/28/00/98/430280098.db2.gz PWOYROJVYPNHDL-QGZVFWFLSA-N 2 0 306.450 2.691 20 0 DFADRP O=C(CCC1C[NH2+]C1)Nc1cccc(C[NH+]2CCCCC2)c1 ZINC000638068246 430226865 /nfs/dbraw/zinc/22/68/65/430226865.db2.gz WBCWVXBFTHLLBW-UHFFFAOYSA-N 2 0 301.434 2.611 20 0 DFADRP C[N@@H+]1CCCC[C@H]1CCC(=O)NCC[NH2+]C1CCCCCC1 ZINC000565774230 430227285 /nfs/dbraw/zinc/22/72/85/430227285.db2.gz YSOJCMIUCYXLCR-KRWDZBQOSA-N 2 0 309.498 2.680 20 0 DFADRP CC(C)CC[C@H]([NH3+])C(=O)N1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000638086989 430231897 /nfs/dbraw/zinc/23/18/97/430231897.db2.gz YSSJKXVBCQOBKO-KURKYZTESA-N 2 0 323.525 2.863 20 0 DFADRP Cn1ccnc1[C@@H](C1CC1)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000638104836 430236195 /nfs/dbraw/zinc/23/61/95/430236195.db2.gz NLSDNBXURPYOEH-DLBZAZTESA-N 2 0 302.466 2.822 20 0 DFADRP CC[N@@H+]1CC[C@H](N(C)Cc2ccnn2CC2CCC2)C[C@@H]1C ZINC000638109503 430237247 /nfs/dbraw/zinc/23/72/47/430237247.db2.gz FUWPYWJQXVTZFH-RDJZCZTQSA-N 2 0 304.482 2.988 20 0 DFADRP CC[NH2+][C@H](C)C(=O)NCC1([NH2+][C@@H](C)c2ccccc2)CCCC1 ZINC000638110219 430238497 /nfs/dbraw/zinc/23/84/97/430238497.db2.gz CFYYJWDZEQWJGQ-JKSUJKDBSA-N 2 0 317.477 2.764 20 0 DFADRP C[NH+]1CCC(N2CCC([NH2+]C[C@@H]3CC[C@@H]4C[C@@H]4C3)CC2)CC1 ZINC000638460603 430348689 /nfs/dbraw/zinc/34/86/89/430348689.db2.gz ZWXHRUOVNHOLBJ-ZACQAIPSSA-N 2 0 305.510 2.571 20 0 DFADRP Cc1ccc(NC2CC[NH+](CC(C)(C)O)CC2)c(C[NH+](C)C)c1 ZINC000638257576 430286162 /nfs/dbraw/zinc/28/61/62/430286162.db2.gz BAJOPRNJQTXVGM-UHFFFAOYSA-N 2 0 319.493 2.704 20 0 DFADRP C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)CCCC[NH+](C)C)C1 ZINC000582316887 430288654 /nfs/dbraw/zinc/28/86/54/430288654.db2.gz KJKURNXSFWCZGF-HZPDHXFCSA-N 2 0 311.514 2.591 20 0 DFADRP CC[C@@](C)(C[NH2+]Cc1ccc(C[NH+]2CCC(O)CC2)cc1)OC ZINC000638273335 430291122 /nfs/dbraw/zinc/29/11/22/430291122.db2.gz HMKUWZWEAXTLRX-IBGZPJMESA-N 2 0 320.477 2.548 20 0 DFADRP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(C[NH+]3CCC(O)CC3)cc2)CS1 ZINC000638274429 430291964 /nfs/dbraw/zinc/29/19/64/430291964.db2.gz OLECZUIDNIZLPG-RHSMWYFYSA-N 2 0 320.502 2.627 20 0 DFADRP C[C@H](c1ccc2c(c1)CCC(=O)N2)[N@@H+]1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000582414673 430297758 /nfs/dbraw/zinc/29/77/58/430297758.db2.gz VNFLVGFUIRFWHO-SNUQEOBHSA-N 2 0 301.434 2.549 20 0 DFADRP C[C@@H]([NH2+]C(C)(C)CNC(=O)[C@H]1CCCCC[NH2+]1)c1ccccc1 ZINC000567974128 430298036 /nfs/dbraw/zinc/29/80/36/430298036.db2.gz QKTFXDVINGKMEY-NVXWUHKLSA-N 2 0 317.477 2.764 20 0 DFADRP C[C@H](C(=O)Nc1cccc2c1CC[NH2+]C2)[C@@H]([NH3+])c1ccccc1 ZINC000582476408 430302601 /nfs/dbraw/zinc/30/26/01/430302601.db2.gz VFAGDRQIKQHYKX-SCLBCKFNSA-N 2 0 309.413 2.607 20 0 DFADRP C[N@@H+]1CC[C@@](O)(CNCc2ccc(-c3ccc(Cl)cc3)o2)C1 ZINC000545150104 430302973 /nfs/dbraw/zinc/30/29/73/430302973.db2.gz HQOAKIMJTQMCKT-QGZVFWFLSA-N 2 0 320.820 2.756 20 0 DFADRP CCC[NH+]1CCC(CNC(=O)CC[N@H+](C)C2CCCCC2)CC1 ZINC000545309675 430314527 /nfs/dbraw/zinc/31/45/27/430314527.db2.gz YMLGKGNFTQLPAO-UHFFFAOYSA-N 2 0 323.525 2.879 20 0 DFADRP C[C@H]([NH2+]CCCC[NH+]1CCN(C)CC1)[C@H]1CC2CCC1CC2 ZINC000638360944 430317741 /nfs/dbraw/zinc/31/77/41/430317741.db2.gz XIHQUFVXQYBWDY-MKCYZYCBSA-N 2 0 307.526 2.818 20 0 DFADRP [NH3+][C@@H]1C[C@H]([NH2+][C@@H]2CCN(c3ncccc3F)C2)c2ccccc21 ZINC000582660035 430320483 /nfs/dbraw/zinc/32/04/83/430320483.db2.gz KYOBLXKQGAFYCG-JLZZUVOBSA-N 2 0 312.392 2.534 20 0 DFADRP CC(C)O[C@@H](C[NH2+]CCCC[NH+]1CCOCC1)c1ccccc1 ZINC000638369785 430320888 /nfs/dbraw/zinc/32/08/88/430320888.db2.gz FRNWWVSTSGUFSH-IBGZPJMESA-N 2 0 320.477 2.855 20 0 DFADRP CC(C)[N@@H+]1CCCC[C@H]1Cn1cc(-c2ccc(C[NH3+])cc2)nn1 ZINC000641170089 430350866 /nfs/dbraw/zinc/35/08/66/430350866.db2.gz VOEWSRFUVXMQDU-KRWDZBQOSA-N 2 0 313.449 2.667 20 0 DFADRP CC[N@H+](C)C[C@H](O)CN[C@H](c1ccc(Cl)cc1)[C@@H]1C[C@@H]1C ZINC000568166125 430322695 /nfs/dbraw/zinc/32/26/95/430322695.db2.gz DDGJUCIGXYJHTR-WBQNTZJQSA-N 2 0 310.869 2.939 20 0 DFADRP CC[NH2+][C@H](C)C(=O)Nc1ccc(SCC[NH+]2CCCC2)cc1 ZINC000638389319 430326207 /nfs/dbraw/zinc/32/62/07/430326207.db2.gz FHBFVVGETVHSMB-CQSZACIVSA-N 2 0 321.490 2.811 20 0 DFADRP [NH3+][C@@H]1CCC[C@@H]([NH2+]CCc2nc(-c3ccncc3)cs2)C1 ZINC000582735978 430330328 /nfs/dbraw/zinc/33/03/28/430330328.db2.gz QTUMVAHBQMJIRU-ZIAGYGMSSA-N 2 0 302.447 2.607 20 0 DFADRP C[C@@H]1CN(Cc2cccc(C[NH2+]CCC[C@@H]3CCO3)c2)CCO1 ZINC000638421482 430336854 /nfs/dbraw/zinc/33/68/54/430336854.db2.gz WNFBZIZMHVSTNI-VQIMIIECSA-N 2 0 318.461 2.566 20 0 DFADRP [NH3+][C@@H]1CCC[C@@H]([NH2+]CCOc2ccc(Br)cc2)C1 ZINC000568247590 430339135 /nfs/dbraw/zinc/33/91/35/430339135.db2.gz QXNVIJJSYCGFRC-CHWSQXEVSA-N 2 0 313.239 2.687 20 0 DFADRP CCOC1CC(C[NH2+]Cc2ccccc2OCC[NH+](C)C)C1 ZINC000638444540 430344807 /nfs/dbraw/zinc/34/48/07/430344807.db2.gz GPRGAYYSJDLELQ-UHFFFAOYSA-N 2 0 306.450 2.532 20 0 DFADRP COc1ncc(C[NH2+]CC2CC[NH+](CCC(C)C)CC2)s1 ZINC000638720691 430416515 /nfs/dbraw/zinc/41/65/15/430416515.db2.gz HKACDTGUPQDRBP-UHFFFAOYSA-N 2 0 311.495 2.999 20 0 DFADRP Cc1ccc(OCCC[NH2+]C2CC[NH+](CC(C)(C)O)CC2)cc1 ZINC000638471495 430351896 /nfs/dbraw/zinc/35/18/96/430351896.db2.gz FNQIOKQWTHDUAS-UHFFFAOYSA-N 2 0 320.477 2.589 20 0 DFADRP CC(C)([NH3+])c1cn(Cc2ccc(C[NH+]3CCCCC3)cc2)nn1 ZINC000641179254 430354097 /nfs/dbraw/zinc/35/40/97/430354097.db2.gz HQURLRQASKUNFE-UHFFFAOYSA-N 2 0 313.449 2.506 20 0 DFADRP CC1=CCN(CC[NH2+][C@H](C)CC(=O)N(C)c2ccccc2)CC1 ZINC000546574669 430356124 /nfs/dbraw/zinc/35/61/24/430356124.db2.gz CVIDQZOLMAXARM-QGZVFWFLSA-N 2 0 315.461 2.670 20 0 DFADRP COc1ccc([C@@H](C[NH3+])C[NH+]2CCc3ccccc3CC2)cc1 ZINC000583075118 430361603 /nfs/dbraw/zinc/36/16/03/430361603.db2.gz ZKGSIBDOFGCAFY-IBGZPJMESA-N 2 0 310.441 2.838 20 0 DFADRP Cc1cc(C[NH+](C)C)cc(NC(=O)C23CCC[NH+](CCC2)C3)c1 ZINC000635739855 430362461 /nfs/dbraw/zinc/36/24/61/430362461.db2.gz FQOIKNDZQFXYRU-UHFFFAOYSA-N 2 0 315.461 2.871 20 0 DFADRP [NH3+]Cc1cccc2c1N(C(=O)CC1(C[NH3+])CCCCC1)CCC2 ZINC000638545402 430373360 /nfs/dbraw/zinc/37/33/60/430373360.db2.gz RYGVNLPVAXDMHO-UHFFFAOYSA-N 2 0 315.461 2.724 20 0 DFADRP C[C@H](C[NH2+][C@@H](C)[C@@H]1CC2CCC1CC2)CN1CC[NH+](C)CC1 ZINC000638555615 430375095 /nfs/dbraw/zinc/37/50/95/430375095.db2.gz ZDEVULOQOAXLNV-JLBOEEDFSA-N 2 0 307.526 2.674 20 0 DFADRP CC(C)CC[C@H](O)C[NH2+]CC1CCN(c2cc[nH+]cc2)CC1 ZINC000568618396 430375707 /nfs/dbraw/zinc/37/57/07/430375707.db2.gz MMWFCBKYXMZOSK-SFHVURJKSA-N 2 0 305.466 2.685 20 0 DFADRP Cc1ccc(C[NH2+][C@@H]2CCC[C@H]([NH3+])C2)c(O[C@@H]2CCOC2)c1 ZINC000568651444 430380077 /nfs/dbraw/zinc/38/00/77/430380077.db2.gz UNGXUDULJBVLOR-GVDBMIGSSA-N 2 0 304.434 2.522 20 0 DFADRP C[C@H]([NH2+][C@H]1CCN(C2CC[NH+](C)CC2)C1)[C@H]1CC2CCC1CC2 ZINC000638587429 430382016 /nfs/dbraw/zinc/38/20/16/430382016.db2.gz CMIUJHUIXROJNK-FATHMOINSA-N 2 0 319.537 2.959 20 0 DFADRP CN(C[C@H]1CCC[N@H+](C)C1)C(=O)C(C)(C)[C@H]([NH3+])c1ccccc1 ZINC000568766795 430391220 /nfs/dbraw/zinc/39/12/20/430391220.db2.gz MVNPIRLRJVEFHF-DOTOQJQBSA-N 2 0 317.477 2.513 20 0 DFADRP CC[NH+](CC)Cc1ccc(NC(=O)C2(C[NH+](C)C)CC2)cc1 ZINC000635847309 430394088 /nfs/dbraw/zinc/39/40/88/430394088.db2.gz FLSOOOWPAXXUDT-UHFFFAOYSA-N 2 0 303.450 2.809 20 0 DFADRP C[C@H]([NH2+]CCC(=O)Nc1ccc(Cl)cc1)C1=CC[N@H+](C)CC1 ZINC000583436530 430395513 /nfs/dbraw/zinc/39/55/13/430395513.db2.gz LSHZVIDROVKLDF-ZDUSSCGKSA-N 2 0 321.852 2.909 20 0 DFADRP C[NH+](C)C[C@@H](NC(=O)[C@@H]1CCCC[N@@H+]1C)c1ccc(Cl)cc1 ZINC000635906359 430409211 /nfs/dbraw/zinc/40/92/11/430409211.db2.gz HQTXNPOTRSLMAZ-CVEARBPZSA-N 2 0 323.868 2.543 20 0 DFADRP C[NH+]1CCC(C[NH2+]C[C@@H]2C[C@H]3C[C@H]3C2)(N2CCCCC2)CC1 ZINC000638692236 430410934 /nfs/dbraw/zinc/41/09/34/430410934.db2.gz FIVHTLILDCYAHV-BCDXTJNWSA-N 2 0 305.510 2.572 20 0 DFADRP c1cn2c(n1)C[C@H]([NH2+]Cc1csc(-c3ccccn3)n1)CC2 ZINC000547969072 430434215 /nfs/dbraw/zinc/43/42/15/430434215.db2.gz HOLGZVULSJNSBN-GFCCVEGCSA-N 2 0 311.414 2.506 20 0 DFADRP CN(CCCC[NH+]1CCCCC1)C(=O)CC[C@H]1CCCC[N@@H+]1C ZINC000641663340 430436873 /nfs/dbraw/zinc/43/68/73/430436873.db2.gz WPTCPLCBPULCGC-GOSISDBHSA-N 2 0 323.525 2.975 20 0 DFADRP C[C@H](CNC(=O)[C@H]1CCCCCC[C@@H]1[NH3+])[N@@H+]1CCC[C@@H](C)C1 ZINC000569357735 430447866 /nfs/dbraw/zinc/44/78/66/430447866.db2.gz ZQJWRZOQRARZAL-NCOADZHNSA-N 2 0 309.498 2.521 20 0 DFADRP Cn1nc(CC[NH2+]C2CC[NH+](CC3CC3)CC2)c2ccccc21 ZINC000548158183 430452515 /nfs/dbraw/zinc/45/25/15/430452515.db2.gz DONKFJVFMXJGRH-UHFFFAOYSA-N 2 0 312.461 2.580 20 0 DFADRP CCN(C)C[C@H](O)C[N@H+](C)[C@@H]1CCC[C@@H]1c1ccc(C)cc1 ZINC000569469256 430456278 /nfs/dbraw/zinc/45/62/78/430456278.db2.gz RUJRFQUXAGPMAH-IPMKNSEASA-N 2 0 304.478 2.876 20 0 DFADRP COc1ccccc1N1CC[C@H]([NH2+][C@@H]2CCCCC[C@@H]2[NH3+])C1 ZINC000569472744 430457347 /nfs/dbraw/zinc/45/73/47/430457347.db2.gz MVKYMEUNBPVCJG-HRCADAONSA-N 2 0 303.450 2.524 20 0 DFADRP CCc1cnccc1[C@H](C)[NH2+]C1CC[NH+](CC(C)(C)O)CC1 ZINC000638858239 430458640 /nfs/dbraw/zinc/45/86/40/430458640.db2.gz ZIYMGRJIMWJGSW-AWEZNQCLSA-N 2 0 305.466 2.530 20 0 DFADRP Cc1nnsc1CN(C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000569488473 430458860 /nfs/dbraw/zinc/45/88/60/430458860.db2.gz AIMWSAQDYGMDPL-MRXNPFEDSA-N 2 0 316.474 2.800 20 0 DFADRP CCC1([NH+]2CCCC2)CCN(C(=O)[C@H](CC(C)(C)C)[NH2+]C)CC1 ZINC000638862610 430459332 /nfs/dbraw/zinc/45/93/32/430459332.db2.gz XAQZGWRYBCJYCY-INIZCTEOSA-N 2 0 323.525 2.878 20 0 DFADRP CC1([NH+]2CCCC2)CCN(C(=O)[C@H]([NH3+])CC2CCCCC2)CC1 ZINC000638861271 430459610 /nfs/dbraw/zinc/45/96/10/430459610.db2.gz RVGBBGUDHUEYNY-QGZVFWFLSA-N 2 0 321.509 2.761 20 0 DFADRP OCCCN1CCC[C@H]1C[NH2+][C@@H]1CCc2c1cccc2Cl ZINC000584154791 430464265 /nfs/dbraw/zinc/46/42/65/430464265.db2.gz CKJFZHMRRRLMNE-SUMWQHHRSA-N 2 0 308.853 2.764 20 0 DFADRP C[NH+](C)CCOc1cc(C[NH2+]C[C@@H]2CC[C@@H]3C[C@@H]3C2)ccn1 ZINC000638903815 430471144 /nfs/dbraw/zinc/47/11/44/430471144.db2.gz UVELQVDKOQPPFD-OIISXLGYSA-N 2 0 303.450 2.548 20 0 DFADRP CCC(CC)Nc1cc[nH+]cc1NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000569624764 430472474 /nfs/dbraw/zinc/47/24/74/430472474.db2.gz YPBFJLBUNWXJRQ-KBPBESRZSA-N 2 0 318.465 2.773 20 0 DFADRP c1csc(-c2n[nH]cc2C[NH2+]C[C@@H]2CCc3nccn3C2)c1 ZINC000548424029 430474191 /nfs/dbraw/zinc/47/41/91/430474191.db2.gz GKZZDOJVPYTUKW-LBPRGKRZSA-N 2 0 313.430 2.687 20 0 DFADRP CC1(C)[C@H]([NH2+]CCc2nc(-c3cccc(Cl)c3)no2)C[C@@H]1[NH3+] ZINC000641803602 430475607 /nfs/dbraw/zinc/47/56/07/430475607.db2.gz UFPLKMWMWDELEU-QWHCGFSZSA-N 2 0 320.824 2.648 20 0 DFADRP CC1(C)[C@H]([NH2+]Cc2ccc(OCc3ccncc3)cc2)C[C@@H]1[NH3+] ZINC000641801188 430476056 /nfs/dbraw/zinc/47/60/56/430476056.db2.gz AXEBSCZCHDURNQ-ZWKOTPCHSA-N 2 0 311.429 2.876 20 0 DFADRP CC1(C)[C@H]([NH3+])C[C@@H]1[NH2+]CCOc1cccc(Br)c1 ZINC000641802597 430476269 /nfs/dbraw/zinc/47/62/69/430476269.db2.gz NIBPLJBVNIVZNE-OLZOCXBDSA-N 2 0 313.239 2.543 20 0 DFADRP CO[C@H](C[NH2+]C1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1)C1CCCC1 ZINC000638749875 430424501 /nfs/dbraw/zinc/42/45/01/430424501.db2.gz MBQAGWLRMCMVSX-GBESFXJTSA-N 2 0 324.509 2.549 20 0 DFADRP CCC[C@@H](C[NH2+]Cc1ccccc1C[N@@H+]1CCC[C@H]1CO)OC ZINC000638970289 430484183 /nfs/dbraw/zinc/48/41/83/430484183.db2.gz KVOYMNHWOVITRK-OALUTQOASA-N 2 0 320.477 2.548 20 0 DFADRP CC(C)CC(C)(C)C(=O)Nc1cc(N2CC[NH2+]CC2)cc[nH+]1 ZINC000638986543 430488659 /nfs/dbraw/zinc/48/86/59/430488659.db2.gz SVKBZMJAUJOZLU-UHFFFAOYSA-N 2 0 304.438 2.502 20 0 DFADRP CC[N@@H+]1CC[C@H](N(C)C(=O)CC[NH+](C)C2CCCCC2)[C@@H](C)C1 ZINC000548716792 430494325 /nfs/dbraw/zinc/49/43/25/430494325.db2.gz GDESCYNXCJDBMO-WMZOPIPTSA-N 2 0 323.525 2.830 20 0 DFADRP C[C@H]([NH2+][C@@H]1CC(C)(C)Oc2ccc(N)cc21)[C@H]1CCC[NH2+]C1 ZINC000569942415 430499227 /nfs/dbraw/zinc/49/92/27/430499227.db2.gz SXZKSAFBFQXCOR-HEHGZKQESA-N 2 0 303.450 2.849 20 0 DFADRP CCCN(C[C@H](O)C[N@H+](C)CC)[C@H](C)c1ccccc1OC ZINC000570408132 430540883 /nfs/dbraw/zinc/54/08/83/430540883.db2.gz WXOHHYLJAPKTEQ-HZPDHXFCSA-N 2 0 308.466 2.781 20 0 DFADRP C[NH+]1CCN(c2cc[nH+]cc2N[C@@H]2CC[C@H]2C2CCC2)CC1 ZINC000548885002 430508547 /nfs/dbraw/zinc/50/85/47/430508547.db2.gz RVPGORACYOQRLO-JKSUJKDBSA-N 2 0 300.450 2.824 20 0 DFADRP CCn1ccnc1CN[C@@H](C[NH+](C)C)c1ccc(Cl)cc1 ZINC000548992373 430513558 /nfs/dbraw/zinc/51/35/58/430513558.db2.gz XINZPXFQUDKLDX-HNNXBMFYSA-N 2 0 306.841 2.949 20 0 DFADRP Cn1cncc1CCCN1CCO[C@H](c2ccccc2F)C1 ZINC000570105212 430513942 /nfs/dbraw/zinc/51/39/42/430513942.db2.gz YBZRHHZLTUCUQN-KRWDZBQOSA-N 2 0 303.381 2.565 20 0 DFADRP CC[NH2+]CCC[NH2+][C@@H]1CC[C@@H](C(=O)OCC)c2ccccc21 ZINC000570200199 430521824 /nfs/dbraw/zinc/52/18/24/430521824.db2.gz REBJUVRNDCKYRY-IAGOWNOFSA-N 2 0 304.434 2.757 20 0 DFADRP C[C@@H]1C[N@H+](CCC[NH2+]Cc2cc3ccccc3n2C)CCCO1 ZINC000639124113 430533604 /nfs/dbraw/zinc/53/36/04/430533604.db2.gz WWVAUYCHASPTKB-MRXNPFEDSA-N 2 0 315.461 2.769 20 0 DFADRP C[C@H]1C[N@H+](CCC[NH2+]Cc2cc3ccccc3n2C)CCCO1 ZINC000639124111 430533859 /nfs/dbraw/zinc/53/38/59/430533859.db2.gz WWVAUYCHASPTKB-INIZCTEOSA-N 2 0 315.461 2.769 20 0 DFADRP CC[N@H+](C)C[C@@H](O)CN(CCC(F)(F)F)Cc1ccccc1 ZINC000570525235 430551186 /nfs/dbraw/zinc/55/11/86/430551186.db2.gz GIMDWNFKQGWLER-OAHLLOKOSA-N 2 0 318.383 2.754 20 0 DFADRP C[C@@H](C[NH+](C)C)N[C@H]1CC[N@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000639168826 430551658 /nfs/dbraw/zinc/55/16/58/430551658.db2.gz VLJJYXQOZDTTSI-IEZWGBDMSA-N 2 0 301.478 2.894 20 0 DFADRP CO[C@H](Cc1ccccc1)C[N@@H+]1CC[C@H](C2CC[NH+](C)CC2)C1 ZINC000639177769 430558861 /nfs/dbraw/zinc/55/88/61/430558861.db2.gz WTNBWQMHHDFPMV-VQTJNVASSA-N 2 0 316.489 2.908 20 0 DFADRP CC(C)(C)O[C@@H]1C[C@H]([NH2+][C@@H]2CCc3nc[nH]c3C2)C12CCC2 ZINC000639192028 430563523 /nfs/dbraw/zinc/56/35/23/430563523.db2.gz OEDANHCKSZBFOM-UHOFOFEASA-N 2 0 303.450 2.983 20 0 DFADRP CC[NH+](CC)CCO[C@@H]1CC[N@H+](CC2Cc3ccccc3C2)C1 ZINC000570736674 430572972 /nfs/dbraw/zinc/57/29/72/430572972.db2.gz USKFMSQWNZYYAC-HXUWFJFHSA-N 2 0 316.489 2.834 20 0 DFADRP C[N@@H+]1CCC[C@H](N2CCN(Cc3cccc(C4CC4)c3)CC2)C1 ZINC000643285612 430572966 /nfs/dbraw/zinc/57/29/66/430572966.db2.gz XMSNWUVFQIIXKC-FQEVSTJZSA-N 2 0 313.489 2.776 20 0 DFADRP C[NH+](C)CCOc1cccc(N[C@@H]2CC[N@H+](C)[C@H]3CCC[C@@H]32)c1 ZINC000552070767 430582225 /nfs/dbraw/zinc/58/22/25/430582225.db2.gz CXRHKIMVMABYNK-QRVBRYPASA-N 2 0 317.477 2.912 20 0 DFADRP CCC(C)(C)[NH2+][C@@H](C)C(=O)NCC[N@H+]1CC=C(C(C)(C)C)CC1 ZINC000552170105 430588873 /nfs/dbraw/zinc/58/88/73/430588873.db2.gz ZDVWWDFJXMQTFI-HNNXBMFYSA-N 2 0 323.525 2.948 20 0 DFADRP C[N@@H+]1CCC[C@H](CC[NH2+]C[C@@H]2CCN(c3ccccc3)C2)C1 ZINC000639257686 430589707 /nfs/dbraw/zinc/58/97/07/430589707.db2.gz QNGNOFGMLCOVOR-MSOLQXFVSA-N 2 0 301.478 2.834 20 0 DFADRP Cc1ccc(CCC[NH2+][C@@H]2CCOC[C@@H]2[C@H]2CCC[NH2+]2)c(C)c1 ZINC000643457017 430602406 /nfs/dbraw/zinc/60/24/06/430602406.db2.gz CPIVFZCVDSKFFX-VAMGGRTRSA-N 2 0 316.489 2.983 20 0 DFADRP COc1cc2c(cc1F)[nH+]ccc2N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000643031619 430543717 /nfs/dbraw/zinc/54/37/17/430543717.db2.gz TWPARMODMROHQT-XHDPSFHLSA-N 2 0 301.365 2.571 20 0 DFADRP CC[C@@H]1CCC[C@H]1[NH2+]C[C@@H](O)CN1CCc2ccccc2C1 ZINC000550897618 430547379 /nfs/dbraw/zinc/54/73/79/430547379.db2.gz GRQGKUMYLZZVRS-ATZDWAIDSA-N 2 0 302.462 2.574 20 0 DFADRP C[NH+]1CCN(Cc2ccc(C[NH2+][C@H]3CCC[C@H]4C[C@H]43)cc2)CC1 ZINC000554724838 430650136 /nfs/dbraw/zinc/65/01/36/430650136.db2.gz VBTJYMGKCXBSDU-ZCNNSNEGSA-N 2 0 313.489 2.712 20 0 DFADRP COCCOc1ccccc1CNC[C@@H]1CC[N@@H+](C(C)C)C1 ZINC000554882615 430654251 /nfs/dbraw/zinc/65/42/51/430654251.db2.gz LATZGLVRPYTLDZ-INIZCTEOSA-N 2 0 306.450 2.532 20 0 DFADRP COc1cccc([C@H](C[NH2+][C@@H]2CCC[C@@H]([NH3+])C2)N2CCCC2)c1 ZINC000571821143 430654352 /nfs/dbraw/zinc/65/43/52/430654352.db2.gz NIMAUVMKMUTQFX-LMMKCTJWSA-N 2 0 317.477 2.692 20 0 DFADRP C[N@@H+](Cc1cc[nH]c(=O)c1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000639503543 430658475 /nfs/dbraw/zinc/65/84/75/430658475.db2.gz NBNVCVQEDUVADJ-GOSISDBHSA-N 2 0 311.429 2.741 20 0 DFADRP CC[C@@H](Cc1ccc(OC)c(OC)c1)[NH2+]CC1CC[NH2+]CC1 ZINC000571872929 430658666 /nfs/dbraw/zinc/65/86/66/430658666.db2.gz QTFMMFTWJVFEPP-INIZCTEOSA-N 2 0 306.450 2.614 20 0 DFADRP COc1ccc2[nH]cc(CC[NH2+][C@H](C)[C@H]3CCC[NH2+]C3)c2c1 ZINC000643453869 430602617 /nfs/dbraw/zinc/60/26/17/430602617.db2.gz DQUJNDHBYSFDMU-KGLIPLIRSA-N 2 0 301.434 2.697 20 0 DFADRP Fc1ccc(N2CC[C@H](C[NH2+][C@@H]3CCC[NH2+]CC3)C2)cc1F ZINC000643453140 430603052 /nfs/dbraw/zinc/60/30/52/430603052.db2.gz JJYWIVHZIKKEAB-ZIAGYGMSSA-N 2 0 309.404 2.523 20 0 DFADRP CC[C@H](Cc1ccc(F)cc1)[NH2+]C1CC[NH+](CC(C)(C)O)CC1 ZINC000639302225 430603244 /nfs/dbraw/zinc/60/32/44/430603244.db2.gz CICFTNZDIHOKQM-QGZVFWFLSA-N 2 0 322.468 2.972 20 0 DFADRP C[C@H](N[C@H](C[NH+]1CCCC1)c1ccccc1)[C@@H]1CCC[NH2+]C1 ZINC000643458440 430603870 /nfs/dbraw/zinc/60/38/70/430603870.db2.gz PQXJJGPHDVFQAZ-QXAKKESOSA-N 2 0 301.478 2.801 20 0 DFADRP C[C@H](N[C@@H](C[NH+]1CCCC1)c1ccccc1)[C@@H]1CCC[NH2+]C1 ZINC000643458441 430604046 /nfs/dbraw/zinc/60/40/46/430604046.db2.gz PQXJJGPHDVFQAZ-UHOSZYNNSA-N 2 0 301.478 2.801 20 0 DFADRP CCOCCOc1cc(C)ccc1C[NH2+][C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000643461217 430604342 /nfs/dbraw/zinc/60/43/42/430604342.db2.gz WVCTZBOEUTUXLX-IAGOWNOFSA-N 2 0 320.477 2.888 20 0 DFADRP CC(C)C1(C[NH2+]Cc2ccc(C[N@@H+]3CC[C@H](O)C3)cc2)CC1 ZINC000639307843 430605026 /nfs/dbraw/zinc/60/50/26/430605026.db2.gz IYJJRRMXNAYSBE-SFHVURJKSA-N 2 0 302.462 2.779 20 0 DFADRP C[C@H]([NH2+]CCCc1nc2c(s1)CCCC2)[C@@H]1CCC[NH2+]C1 ZINC000643464289 430605499 /nfs/dbraw/zinc/60/54/99/430605499.db2.gz GARJUACZOKCKCC-UONOGXRCSA-N 2 0 307.507 2.932 20 0 DFADRP CC[C@](C)(C[NH2+]CC1CC[NH+](Cc2ccncc2)CC1)OC ZINC000639312205 430605718 /nfs/dbraw/zinc/60/57/18/430605718.db2.gz SVUDHCCPJNJNID-GOSISDBHSA-N 2 0 305.466 2.698 20 0 DFADRP CO[C@@](C)(C[NH2+]CC1CC[NH+](Cc2ccncc2)CC1)C1CC1 ZINC000639310384 430605956 /nfs/dbraw/zinc/60/59/56/430605956.db2.gz GTCASGGCCYMIGK-IBGZPJMESA-N 2 0 317.477 2.698 20 0 DFADRP Cc1cccc(NC(=O)C[C@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC000643500415 430609504 /nfs/dbraw/zinc/60/95/04/430609504.db2.gz SNHJMPFRYWYEEG-JTUUTPGSSA-N 2 0 301.434 2.585 20 0 DFADRP C[C@@H]1[C@H](NC[C@@H]2CCCC[NH2+]2)CCC[N@@H+]1Cc1ccccc1 ZINC000643502241 430610035 /nfs/dbraw/zinc/61/00/35/430610035.db2.gz AVAVLHIHALQQFA-NZSAHSFTSA-N 2 0 301.478 2.771 20 0 DFADRP C[C@@H]1[C@@H](NC[C@H]2CCCC[NH2+]2)CCC[N@@H+]1Cc1ccccc1 ZINC000643502242 430610057 /nfs/dbraw/zinc/61/00/57/430610057.db2.gz AVAVLHIHALQQFA-QRQLOZEOSA-N 2 0 301.478 2.771 20 0 DFADRP c1ccc2nc(NCC[NH2+]C3CC[NH+](CC4CC4)CC3)ccc2c1 ZINC000553261583 430612367 /nfs/dbraw/zinc/61/23/67/430612367.db2.gz KBZRIEHAKXJWFY-UHFFFAOYSA-N 2 0 324.472 3.111 20 0 DFADRP COc1cc([C@H](C)[NH2+][C@H]2CC23CC[NH2+]CC3)cc(OC)c1OC ZINC000643534053 430612487 /nfs/dbraw/zinc/61/24/87/430612487.db2.gz KIQWUQMWMYNKEJ-LRDDRELGSA-N 2 0 320.433 2.505 20 0 DFADRP C[C@@H]([NH2+]Cc1ccc2c(c1)C[NH2+]C2)c1ccc2[nH]c(=O)oc2c1 ZINC000643523812 430612738 /nfs/dbraw/zinc/61/27/38/430612738.db2.gz VJOQLCYPWKPTOM-LLVKDONJSA-N 2 0 309.369 2.987 20 0 DFADRP C[C@H]([NH2+][C@@H]1CC12CC[NH2+]CC2)c1nc(C(F)(F)F)cs1 ZINC000643534868 430612968 /nfs/dbraw/zinc/61/29/68/430612968.db2.gz DYSATQDCJFEIEM-DTWKUNHWSA-N 2 0 305.369 2.955 20 0 DFADRP C[C@@H]1[C@H]([NH2+][C@@H]2CCC[NH2+]CC2)CCCN1Cc1ccccc1 ZINC000643522581 430613639 /nfs/dbraw/zinc/61/36/39/430613639.db2.gz POKRBXIIBNWUCY-BHIYHBOVSA-N 2 0 301.478 2.771 20 0 DFADRP C[C@@H]([NH2+][C@@H]1CC12CC[NH2+]CC2)c1cc(-c2ccccc2)nn1C ZINC000643536937 430614277 /nfs/dbraw/zinc/61/42/77/430614277.db2.gz YWKIQHINFXZAGZ-RDTXWAMCSA-N 2 0 310.445 2.880 20 0 DFADRP Cc1nccn1-c1ccc([C@@H](C)[NH2+][C@@H]2CC23CC[NH2+]CC3)cc1 ZINC000643537074 430614517 /nfs/dbraw/zinc/61/45/17/430614517.db2.gz YSYHRMFMWFUNMF-RDTXWAMCSA-N 2 0 310.445 2.973 20 0 DFADRP Cn1cc([C@H]([NH2+]C[C@H]2CCC[C@H]([NH3+])C2)c2cccc(F)c2)cn1 ZINC000643541141 430614664 /nfs/dbraw/zinc/61/46/64/430614664.db2.gz PKJKJPLTSDEYFV-DOPJRALCSA-N 2 0 316.424 2.756 20 0 DFADRP C[C@H]([NH2+][C@H]1CC12CC[NH2+]CC2)c1cnn(Cc2ccccc2)c1 ZINC000643535034 430614873 /nfs/dbraw/zinc/61/48/73/430614873.db2.gz HWJDXJLYSLERLA-YJBOKZPZSA-N 2 0 310.445 2.724 20 0 DFADRP COc1ccc(C[C@H](C)[NH2+][C@H]2CC23CC[NH2+]CC3)c(C)c1OC ZINC000643536223 430615021 /nfs/dbraw/zinc/61/50/21/430615021.db2.gz OOYZHGGCFRLMJZ-GUYCJALGSA-N 2 0 318.461 2.675 20 0 DFADRP C[C@H]([NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1)c1ccc2[nH]c(=O)oc2c1 ZINC000643549188 430615439 /nfs/dbraw/zinc/61/54/39/430615439.db2.gz PDFYRZZDTWKHMN-SCUASFONSA-N 2 0 301.390 2.572 20 0 DFADRP Cn1ccc([C@H]([NH2+][C@@H]2CC[C@H](C[NH3+])C2)c2ccc(Cl)cc2)n1 ZINC000643542739 430615951 /nfs/dbraw/zinc/61/59/51/430615951.db2.gz PDUVGIINXVBVDZ-XGWLTEMNSA-N 2 0 318.852 2.880 20 0 DFADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C[NH2+]C1CC(n2cccn2)C1 ZINC000639358805 430619647 /nfs/dbraw/zinc/61/96/47/430619647.db2.gz DMSFEZDGEWLVBS-OVZGMEQFSA-N 2 0 324.472 2.944 20 0 DFADRP C[C@H](Cc1ccc(Cl)cc1)[NH2+][C@@H]1CCC[C@@H]1N1CC[C@@H](O)C1 ZINC000639371223 430623587 /nfs/dbraw/zinc/62/35/87/430623587.db2.gz FYJUZVKIDJTBPO-PILAGYSTSA-N 2 0 322.880 2.848 20 0 DFADRP O[C@H]1CCN([C@@H]2CCC[C@@H]2[NH2+]Cc2cc3ccccc3o2)C1 ZINC000639370531 430623804 /nfs/dbraw/zinc/62/38/04/430623804.db2.gz NZYHMABRNFTXIH-BHYGNILZSA-N 2 0 300.402 2.510 20 0 DFADRP CCCc1ccc(C[NH2+][C@@H]2CCC[C@@H]2N2CC[C@H](O)C2)s1 ZINC000639373861 430625458 /nfs/dbraw/zinc/62/54/58/430625458.db2.gz WQQTVVPNRVLGMP-XKQJLSEDSA-N 2 0 308.491 2.778 20 0 DFADRP CC(C)[NH2+]CCC(=O)NCc1ccccc1C[NH+]1CCCCC1 ZINC000553975028 430625742 /nfs/dbraw/zinc/62/57/42/430625742.db2.gz QGZRXJSXGPDSPW-UHFFFAOYSA-N 2 0 317.477 2.677 20 0 DFADRP COC[C@@H](C)C[N@@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000571448223 430629045 /nfs/dbraw/zinc/62/90/45/430629045.db2.gz XKUDGRBWYWSKGZ-PKOBYXMFSA-N 2 0 302.462 2.867 20 0 DFADRP C[N@H+](CCC[NH3+])Cc1ccc(-n2ccc(C(F)(F)F)n2)cc1 ZINC000571445907 430629401 /nfs/dbraw/zinc/62/94/01/430629401.db2.gz XKLIDOXXGVUOFU-UHFFFAOYSA-N 2 0 312.339 2.672 20 0 DFADRP COc1nccc(CNC2CC[NH+]([C@H]3CCCC[C@H]3C)CC2)n1 ZINC000571492582 430630162 /nfs/dbraw/zinc/63/01/62/430630162.db2.gz YQSMPKYOSKHFHW-PBHICJAKSA-N 2 0 318.465 2.618 20 0 DFADRP C[C@@H](c1ccccc1)[C@H](O)C[NH2+]CC1(C[NH+](C)C)CCCC1 ZINC000571517057 430632652 /nfs/dbraw/zinc/63/26/52/430632652.db2.gz BBTRERRUUPLKSW-FUHWJXTLSA-N 2 0 304.478 2.863 20 0 DFADRP CC(C)[C@H](CO)C[NH2+][C@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000554376654 430635032 /nfs/dbraw/zinc/63/50/32/430635032.db2.gz DIGGZONSWZTHJB-WDSOQIARSA-N 2 0 304.478 2.894 20 0 DFADRP CCc1ccccc1NC(=O)C[C@@H](C)[NH2+]CCC[NH2+]C(C)C ZINC000571632506 430641879 /nfs/dbraw/zinc/64/18/79/430641879.db2.gz MLLJTYXRZDXQQS-OAHLLOKOSA-N 2 0 305.466 2.944 20 0 DFADRP CC(C)n1cc([C@H](C)[NH2+]CCCN2CC[NH+](C(C)C)CC2)cn1 ZINC000554550943 430642426 /nfs/dbraw/zinc/64/24/26/430642426.db2.gz UYZPQQHMKHBWEA-KRWDZBQOSA-N 2 0 321.513 2.531 20 0 DFADRP CC(C)[N@@H+]1CC[C@@H](C[NH2+]C2CCN(C(=O)CC(C)(C)C)CC2)C1 ZINC000571722137 430647726 /nfs/dbraw/zinc/64/77/26/430647726.db2.gz ZSSAXCDVYAXFSH-INIZCTEOSA-N 2 0 323.525 2.734 20 0 DFADRP CCC[NH+](CCC)CCCC(=O)N1[C@@H]2CC[C@H]1CC[N@@H+](C)C2 ZINC000571938899 430663319 /nfs/dbraw/zinc/66/33/19/430663319.db2.gz MHDLBTVEGAKBCO-DLBZAZTESA-N 2 0 309.498 2.584 20 0 DFADRP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cccc3c2CCOC3)[C@@H](C)C1 ZINC000639531846 430664270 /nfs/dbraw/zinc/66/42/70/430664270.db2.gz BMZNUDNDEAMKDQ-KXBFYZLASA-N 2 0 302.462 2.921 20 0 DFADRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H]2C[C@@H](C)O[C@@H](C)C2)[C@H](C)C1 ZINC000555427988 430668059 /nfs/dbraw/zinc/66/80/59/430668059.db2.gz ZRIXDDYWZLHRQG-ZBRFXRBCSA-N 2 0 312.498 2.669 20 0 DFADRP C[C@@H]1C[C@H](NC[C@@H]2CC[NH+](C)[C@H]2c2ccccc2)C[N@@H+]1C1CC1 ZINC000367337195 278026030 /nfs/dbraw/zinc/02/60/30/278026030.db2.gz YDMNYFJPQAYRKZ-HYJFEMIMSA-N 2 0 313.489 2.894 20 0 DFADRP COc1cccc2c1CC[N@H+](CCC[NH+]1CCCCC1)CC2 ZINC000193710369 278027540 /nfs/dbraw/zinc/02/75/40/278027540.db2.gz KDXNVOUPFKIPCB-UHFFFAOYSA-N 2 0 302.462 2.972 20 0 DFADRP C[C@H](C[C@H]1CCCCC[NH2+]1)[N@@H+]1CCC[C@H](CC(C)(C)C(N)=O)C1 ZINC000572392068 430685756 /nfs/dbraw/zinc/68/57/56/430685756.db2.gz HKGAZYYLNKCIIJ-BRWVUGGUSA-N 2 0 323.525 2.911 20 0 DFADRP C[C@@H](C[N@@H+](C)CC1CC[NH+](C[C@H](C)O)CC1)c1ccccc1 ZINC000246949437 278240610 /nfs/dbraw/zinc/24/06/10/278240610.db2.gz CTAWEMPXJLOKGH-IRXDYDNUSA-N 2 0 304.478 2.815 20 0 DFADRP CC(C)[N@H+](C)CC1CC[NH+](Cc2cnn(CC(F)F)c2)CC1 ZINC000556800905 430693072 /nfs/dbraw/zinc/69/30/72/430693072.db2.gz MGICZNFVFGBJOD-UHFFFAOYSA-N 2 0 314.424 2.700 20 0 DFADRP C[C@@H](CN1CC[NH+](C)CC1)[NH2+][C@@H]1CC(C)(C)Cc2occc21 ZINC000154964867 278260762 /nfs/dbraw/zinc/26/07/62/278260762.db2.gz QZRYGGFZXDZYHA-GOEBONIOSA-N 2 0 305.466 2.519 20 0 DFADRP C[C@H]([NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1)c1ccc(NC(N)=O)cc1 ZINC000261800651 278271963 /nfs/dbraw/zinc/27/19/63/278271963.db2.gz URMXKBHTWBCDQF-NKKGCODLSA-N 2 0 316.449 2.749 20 0 DFADRP C[C@@H](C[NH2+]C1CCC2(CC1)c1ccccc1NC2=O)C[NH+](C)C ZINC000293805693 278282416 /nfs/dbraw/zinc/28/24/16/278282416.db2.gz VHLNMCPUAGYWBO-XVTSOASTSA-N 2 0 315.461 2.606 20 0 DFADRP C[C@@H](CN[C@@H]1C[C@@H](C)[N@H+](C)C[C@H]1C)[NH+](C)Cc1ccccc1 ZINC000248177992 278285982 /nfs/dbraw/zinc/28/59/82/278285982.db2.gz VXLXETCUIYUADR-VXIBKDFQSA-N 2 0 303.494 2.825 20 0 DFADRP Clc1cccc(-c2n[nH]cc2C[NH2+]CC[C@@H]2CC[NH2+]C2)c1 ZINC000556934101 430696595 /nfs/dbraw/zinc/69/65/95/430696595.db2.gz IYPPXTASJGTKNH-LBPRGKRZSA-N 2 0 304.825 2.819 20 0 DFADRP CCC[NH2+][C@H](C)C(=O)N1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000572767736 430696923 /nfs/dbraw/zinc/69/69/23/430696923.db2.gz KJHXSBAJJHPPRB-IAGOWNOFSA-N 2 0 323.525 2.878 20 0 DFADRP C[C@@H]([NH2+]CC(=O)NC[C@H](c1ccccc1)[NH+](C)C)C1CCCC1 ZINC000184687337 278338481 /nfs/dbraw/zinc/33/84/81/278338481.db2.gz IORBWWDVFIKCBP-CRAIPNDOSA-N 2 0 317.477 2.574 20 0 DFADRP CC(C)O[C@@H]1CC[NH+]([C@H](C)CC[N@H+]2CC[C@@H](OC(C)C)C2)C1 ZINC000572957410 430698602 /nfs/dbraw/zinc/69/86/02/430698602.db2.gz APHHULNSTOOYEH-KZNAEPCWSA-N 2 0 312.498 2.764 20 0 DFADRP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+]C[C@H]1C(C)(C)C1(F)F ZINC000657739313 430720215 /nfs/dbraw/zinc/72/02/15/430720215.db2.gz XWIRCSWFKYTKPO-AWEZNQCLSA-N 2 0 306.360 2.957 20 0 DFADRP CO[C@H](C[NH2+]Cc1ccc(OCC[NH+](C)C)cc1)C1CCCC1 ZINC000657766457 430730342 /nfs/dbraw/zinc/73/03/42/430730342.db2.gz IQWTYVWPUXWRPL-LJQANCHMSA-N 2 0 320.477 2.922 20 0 DFADRP COC[C@H](C)[NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CC12CCC2 ZINC000657774577 430731123 /nfs/dbraw/zinc/73/11/23/430731123.db2.gz ZSASIOYOVXPVBE-WMZOPIPTSA-N 2 0 302.462 2.913 20 0 DFADRP COC[C@@H](C)[NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CC12CCC2 ZINC000657774571 430732546 /nfs/dbraw/zinc/73/25/46/430732546.db2.gz ZSASIOYOVXPVBE-AEFFLSMTSA-N 2 0 302.462 2.913 20 0 DFADRP O=C(CC[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1)Nc1ccc(Cl)cc1 ZINC000644524097 430743781 /nfs/dbraw/zinc/74/37/81/430743781.db2.gz RIHXYPGRNQCMLQ-HZPDHXFCSA-N 2 0 321.852 2.885 20 0 DFADRP CCOC[C@@H](O)C[NH2+]Cc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000644531351 430745965 /nfs/dbraw/zinc/74/59/65/430745965.db2.gz NPXWWTZJCAKULS-IBGZPJMESA-N 2 0 320.477 2.550 20 0 DFADRP C[C@H]([NH2+]CCCC[NH+]1CCOCC1)c1cc2cnccc2o1 ZINC000657839108 430751351 /nfs/dbraw/zinc/75/13/51/430751351.db2.gz LSUSDYBZKKLKLV-AWEZNQCLSA-N 2 0 303.406 2.591 20 0 DFADRP COC1([C@@H](C)[NH2+]CCc2ccc(OCC[NH+](C)C)cc2)CCC1 ZINC000657872301 430756516 /nfs/dbraw/zinc/75/65/16/430756516.db2.gz MSMOPPRZKBARLJ-MRXNPFEDSA-N 2 0 320.477 2.717 20 0 DFADRP CC(C)[C@H]([NH2+]C[C@@H](O)CN(C)C)c1ccc2c(c1)CCCC2 ZINC000657876634 430759898 /nfs/dbraw/zinc/75/98/98/430759898.db2.gz YRKNEUDWUJGECA-MOPGFXCFSA-N 2 0 304.478 2.775 20 0 DFADRP Cc1c(F)cccc1NC(=O)CC[NH2+][C@H]1CCC[C@H]([NH+](C)C)C1 ZINC000644583796 430759977 /nfs/dbraw/zinc/75/99/77/430759977.db2.gz KMSZJLSKWOOXOZ-GJZGRUSLSA-N 2 0 321.440 2.925 20 0 DFADRP CCN1C[C@H]([NH2+]C[C@H](O)Cc2ccc3ccccc3c2)[C@@H](C)C1 ZINC000644588609 430761283 /nfs/dbraw/zinc/76/12/83/430761283.db2.gz YKNKKMSLCQNWKK-BEVDRBHNSA-N 2 0 312.457 2.673 20 0 DFADRP CC(C)[C@@H]1[N@H+](C[C@@H](O)CN(C)Cc2ccccc2)CC12CCC2 ZINC000644608575 430766077 /nfs/dbraw/zinc/76/60/77/430766077.db2.gz OVETXTDTZGKMCT-OALUTQOASA-N 2 0 316.489 2.990 20 0 DFADRP CC1(C)[C@H]([NH2+]C2CC[NH+]([C@H]3CCC[C@H]3O)CC2)[C@@H]2CCC[C@@H]21 ZINC000657925009 430768507 /nfs/dbraw/zinc/76/85/07/430768507.db2.gz LLGIBNBENQDUKY-DISONHOPSA-N 2 0 306.494 2.779 20 0 DFADRP COC[C@H](CC1CCOCC1)[NH2+]C1CCC(C[NH+](C)C)CC1 ZINC000657932829 430770281 /nfs/dbraw/zinc/77/02/81/430770281.db2.gz RJPWOPMPUONYFS-ABHNRTSZSA-N 2 0 312.498 2.528 20 0 DFADRP CC[C@@H]1C[C@H]([NH2+]Cc2ccc(CN3CCOCC3)cc2)CCO1 ZINC000648406034 430775828 /nfs/dbraw/zinc/77/58/28/430775828.db2.gz AFHXDYLFHODQHB-RTBURBONSA-N 2 0 318.461 2.566 20 0 DFADRP c1ccc(C[N@H+]2CC[C@H](C[NH2+][C@@H]3COC4(CCC4)C3)C2)cc1 ZINC000657999342 430784074 /nfs/dbraw/zinc/78/40/74/430784074.db2.gz UKFZVAHHQZKJRU-MSOLQXFVSA-N 2 0 300.446 2.810 20 0 DFADRP C[C@@H](CN(C)CCC[NH+](C)C)[NH2+][C@@H](C)c1cccc(F)c1F ZINC000658105526 430812837 /nfs/dbraw/zinc/81/28/37/430812837.db2.gz AVAUAZKGCJVBBZ-KBPBESRZSA-N 2 0 313.436 2.887 20 0 DFADRP C[C@@H](CN(C)CCC[NH+](C)C)[NH2+][C@@H](C)c1cc(F)ccc1F ZINC000658109712 430814710 /nfs/dbraw/zinc/81/47/10/430814710.db2.gz VJALTPMIFWLCHV-KBPBESRZSA-N 2 0 313.436 2.887 20 0 DFADRP COc1cccc2c1CC[C@H]2[NH2+][C@@H](C)CN(C)CCC[NH+](C)C ZINC000658109304 430815371 /nfs/dbraw/zinc/81/53/71/430815371.db2.gz SWGUCHHSBZHPSB-MAUKXSAKSA-N 2 0 319.493 2.544 20 0 DFADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CCc2cnccc2C)[C@H](C)C1 ZINC000658126456 430818833 /nfs/dbraw/zinc/81/88/33/430818833.db2.gz MGMQKKLNQPEOIF-IEBWSBKVSA-N 2 0 319.493 2.659 20 0 DFADRP O[C@H]1CC[N@H+](Cc2ccc(C[NH2+][C@@H]3CCCSCC3)cc2)C1 ZINC000658136324 430820890 /nfs/dbraw/zinc/82/08/90/430820890.db2.gz HVCJOZWDBMQEPW-MSOLQXFVSA-N 2 0 320.502 2.629 20 0 DFADRP CC1(C)CCC[C@@H]1[NH2+]Cc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1 ZINC000658140350 430822850 /nfs/dbraw/zinc/82/28/50/430822850.db2.gz PZZNQKRZHZBRNE-ROUUACIJSA-N 2 0 302.462 2.922 20 0 DFADRP CC(C)[C@H]([NH2+]Cc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1)C1CC1 ZINC000658139899 430823029 /nfs/dbraw/zinc/82/30/29/430823029.db2.gz NZGSJBWPMHILRD-MOPGFXCFSA-N 2 0 302.462 2.777 20 0 DFADRP O[C@@H]1CC[N@H+](Cc2ccc(C[NH2+][C@@H]3CCCC34CC4)cc2)C1 ZINC000658139307 430823243 /nfs/dbraw/zinc/82/32/43/430823243.db2.gz QNARDTOKSQPNMJ-QZTJIDSGSA-N 2 0 300.446 2.676 20 0 DFADRP Cc1nccn1CCCN1CCOC[C@H]1c1cccc(F)c1 ZINC000661734331 430824211 /nfs/dbraw/zinc/82/42/11/430824211.db2.gz SEIGPYGFGYRFFX-KRWDZBQOSA-N 2 0 303.381 2.794 20 0 DFADRP CN(C)CC(C)(C)[NH2+]Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000651605262 430828552 /nfs/dbraw/zinc/82/85/52/430828552.db2.gz ONGBQANYJAURMT-UHFFFAOYSA-N 2 0 319.493 2.591 20 0 DFADRP COC1([C@H](C)[NH2+]CC2CC[NH+](Cc3ccncc3)CC2)CCC1 ZINC000658164344 430831469 /nfs/dbraw/zinc/83/14/69/430831469.db2.gz NIAMGXWRYXDJJR-INIZCTEOSA-N 2 0 317.477 2.841 20 0 DFADRP COc1cc(OC)c(C[N@H+](C)CC2CC[NH+](C)CC2)cc1F ZINC000651632002 430834994 /nfs/dbraw/zinc/83/49/94/430834994.db2.gz BTRFRZJFNHHXEQ-UHFFFAOYSA-N 2 0 310.413 2.617 20 0 DFADRP C[C@H](O)C[NH+]1CCC(C[N@H+](C)Cc2cccc3c2CCC3)CC1 ZINC000651634787 430836166 /nfs/dbraw/zinc/83/61/66/430836166.db2.gz BTXNDQSZYDEGEJ-INIZCTEOSA-N 2 0 316.489 2.700 20 0 DFADRP C[C@@H]([NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1)c1cncc(Br)c1 ZINC000658048858 430792657 /nfs/dbraw/zinc/79/26/57/430792657.db2.gz YQTWRVGAVVLNST-GYSYKLTISA-N 2 0 312.255 2.835 20 0 DFADRP C[C@@H]([NH2+]C[C@@H]1CCN1C(C)(C)C)c1ccccc1-n1ccnn1 ZINC000658061535 430796727 /nfs/dbraw/zinc/79/67/27/430796727.db2.gz OWEGCXGLOSBDCB-CABCVRRESA-N 2 0 313.449 2.791 20 0 DFADRP CC1(C)C[C@H]([NH2+]CC2CC[NH+](C3CCOCC3)CC2)C(C)(C)O1 ZINC000658069305 430797563 /nfs/dbraw/zinc/79/75/63/430797563.db2.gz LZOPBQWZJJTQGK-KRWDZBQOSA-N 2 0 324.509 2.813 20 0 DFADRP C[C@H]([NH2+]CC1CC[NH+](C2CCOCC2)CC1)c1nccs1 ZINC000658068789 430798082 /nfs/dbraw/zinc/79/80/82/430798082.db2.gz ZWTJIRBTSYQFJY-ZDUSSCGKSA-N 2 0 309.479 2.685 20 0 DFADRP C[N@@H+]1CCC[C@H]1CC[NH+]1CC[C@H](c2ccccc2)[C@H](CO)C1 ZINC000661665634 430798384 /nfs/dbraw/zinc/79/83/84/430798384.db2.gz LEEDOXARLVEKCJ-GBESFXJTSA-N 2 0 302.462 2.569 20 0 DFADRP C[C@H]([NH2+]Cc1c(F)cccc1-n1cccn1)C1CC[NH+](C)CC1 ZINC000651467870 430802994 /nfs/dbraw/zinc/80/29/94/430802994.db2.gz KJRUFUWORHNBKZ-AWEZNQCLSA-N 2 0 316.424 2.831 20 0 DFADRP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+][C@@H](CO)CC2CC2)CC1 ZINC000648485963 430803504 /nfs/dbraw/zinc/80/35/04/430803504.db2.gz QGWUEZSUXPBSER-OXQOHEQNSA-N 2 0 316.489 2.833 20 0 DFADRP OC[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)C1CCC1 ZINC000658089043 430806653 /nfs/dbraw/zinc/80/66/53/430806653.db2.gz WTZHGCXTLDHBIO-RAFMOHDBSA-N 2 0 314.473 2.933 20 0 DFADRP Cc1ccc(C[C@H](CO)[NH2+][C@H](C)C2CC[NH+](C)CC2)cc1C ZINC000651496709 430810312 /nfs/dbraw/zinc/81/03/12/430810312.db2.gz DQBIRJKYDZFZHC-VQIMIIECSA-N 2 0 304.478 2.527 20 0 DFADRP CC(C)[NH+]1CCC([NH2+][C@@H]2CCC[C@@H]2Cc2cnn(C)c2)CC1 ZINC000658237665 430849862 /nfs/dbraw/zinc/84/98/62/430849862.db2.gz YRGKUPWMAUKJRB-SJLPKXTDSA-N 2 0 304.482 2.594 20 0 DFADRP C[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+][C@@H]2C[C@H](O)C23CCC3)CC1 ZINC000658252061 430852479 /nfs/dbraw/zinc/85/24/79/430852479.db2.gz IJDCJZVPJIKBFZ-SPUZQDLCSA-N 2 0 306.494 2.923 20 0 DFADRP C[C@H]([NH2+][C@@H]1C[C@H](O)C12CCC2)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000658253141 430853523 /nfs/dbraw/zinc/85/35/23/430853523.db2.gz STKULDUGXHKSTQ-KANFNMMFSA-N 2 0 314.473 2.790 20 0 DFADRP COc1cc(F)c(C[NH2+]C[C@H]2CCCn3ccnc32)cc1OC ZINC000651721710 430857647 /nfs/dbraw/zinc/85/76/47/430857647.db2.gz OGUIRPMDMWSWGJ-GFCCVEGCSA-N 2 0 319.380 2.707 20 0 DFADRP COC[C@H](CC(C)(C)C)[NH2+]CCCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000651720919 430858463 /nfs/dbraw/zinc/85/84/63/430858463.db2.gz OBWMMUNTFRUXQE-ZACQAIPSSA-N 2 0 314.514 2.917 20 0 DFADRP C[C@@H]1C[NH+](CCCC[NH2+]Cc2cc3cnccc3o2)C[C@@H](C)O1 ZINC000651721047 430858534 /nfs/dbraw/zinc/85/85/34/430858534.db2.gz RGWVVYKRASEBPY-HUUCEWRRSA-N 2 0 317.433 2.807 20 0 DFADRP COC[C@@H](CC(C)(C)C)Nc1c[nH+]ccc1N1CC[NH+](C)CC1 ZINC000651745007 430865318 /nfs/dbraw/zinc/86/53/18/430865318.db2.gz XCQVJCDBRDYCMR-OAHLLOKOSA-N 2 0 320.481 2.697 20 0 DFADRP C[NH2+]C[C@H](C)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000665298664 430889297 /nfs/dbraw/zinc/88/92/97/430889297.db2.gz ZRDWAWGDPJJVEF-JCHJZTRSSA-N 2 0 301.478 2.627 20 0 DFADRP CC[NH+](CC)CCC[C@H](C)[NH2+]Cc1cnnn1-c1ccccc1 ZINC000651749860 430866761 /nfs/dbraw/zinc/86/67/61/430866761.db2.gz LUSODWMOHOBWNO-INIZCTEOSA-N 2 0 315.465 2.867 20 0 DFADRP CC(C)[NH+]1CCC(N[C@@H]2C[NH2+]CC[C@@H]2c2ccccc2)CC1 ZINC000665250065 430868614 /nfs/dbraw/zinc/86/86/14/430868614.db2.gz HDHOIRUXYORWDG-RTBURBONSA-N 2 0 301.478 2.595 20 0 DFADRP CNC(=O)CC1(C[NH2+]C2CC[NH+](C(C)C)CC2)CCCCC1 ZINC000658304485 430871299 /nfs/dbraw/zinc/87/12/99/430871299.db2.gz GBEKJXJGPGYCOZ-UHFFFAOYSA-N 2 0 309.498 2.535 20 0 DFADRP CC[NH+](CC)[C@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)c1ccsc1 ZINC000648733466 430874015 /nfs/dbraw/zinc/87/40/15/430874015.db2.gz VBJNLIUWJGCETE-FVQBIDKESA-N 2 0 323.506 2.587 20 0 DFADRP CO[C@@H]1CC[N@H+](Cc2ccc(OCC[NH+](C)C)cc2)CC1(C)C ZINC000648742490 430878416 /nfs/dbraw/zinc/87/84/16/430878416.db2.gz NHMXSZJJIZMGLL-GOSISDBHSA-N 2 0 320.477 2.874 20 0 DFADRP c1ccc([C@H]2CC[C@H]2[NH2+][C@@H]2CCOC[C@@H]2[C@@H]2CCC[NH2+]2)cc1 ZINC000665273712 430878990 /nfs/dbraw/zinc/87/89/90/430878990.db2.gz CELMQTGYGGTQJE-UJWQCDCRSA-N 2 0 300.446 2.679 20 0 DFADRP CNC(=O)CC1(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)CCCCC1 ZINC000665275378 430879049 /nfs/dbraw/zinc/87/90/49/430879049.db2.gz JKMABRFZQGZYJZ-BRWVUGGUSA-N 2 0 321.509 2.583 20 0 DFADRP CCC[N@@H+]1CC[C@H](N[C@@H](c2ccc(OC)cc2)[C@@H]2CCC[NH2+]2)C1 ZINC000665273909 430879358 /nfs/dbraw/zinc/87/93/58/430879358.db2.gz GNCYBXRQXVMJIZ-WDSOQIARSA-N 2 0 317.477 2.562 20 0 DFADRP CC(C)[C@H]([NH3+])CC[NH2+][C@@H](C)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000665280731 430880610 /nfs/dbraw/zinc/88/06/10/430880610.db2.gz JVNGGHJRTNGBHQ-SWLSCSKDSA-N 2 0 303.450 2.940 20 0 DFADRP COc1cc(NC(C)=O)ccc1[C@@H](C)[NH2+]CC[C@@H]([NH3+])C(C)C ZINC000665281091 430881122 /nfs/dbraw/zinc/88/11/22/430881122.db2.gz UKVRESUEFRREEV-MLGOLLRUSA-N 2 0 307.438 2.678 20 0 DFADRP CC(C)[C@H]([NH3+])CC[NH2+][C@H](C)c1ccc(-n2cncn2)cc1Cl ZINC000665281009 430881598 /nfs/dbraw/zinc/88/15/98/430881598.db2.gz RNCLXODGPOTUJI-MLGOLLRUSA-N 2 0 321.856 2.945 20 0 DFADRP CCO[C@@H]1C[C@H]([NH2+]CC[C@@H]([NH3+])C(C)C)[C@H]1Oc1ccccc1 ZINC000665281569 430881641 /nfs/dbraw/zinc/88/16/41/430881641.db2.gz GYIQGHLDMGMGBE-XMTFNYHQSA-N 2 0 306.450 2.574 20 0 DFADRP C[C@@H]([NH2+]Cc1cccc2c1OC(F)(F)O2)C1CC[NH+](C)CC1 ZINC000658342065 430881790 /nfs/dbraw/zinc/88/17/90/430881790.db2.gz FQRTYFCNFKEQJK-LLVKDONJSA-N 2 0 312.360 2.828 20 0 DFADRP CC(C)[C@H]([NH3+])CCN[C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000665281200 430881937 /nfs/dbraw/zinc/88/19/37/430881937.db2.gz XARMDJHDBABZIF-BHIYHBOVSA-N 2 0 303.494 2.860 20 0 DFADRP C[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CCN2Cc2ccccc2)[C@@H]2CCC[C@H]21 ZINC000658349380 430883143 /nfs/dbraw/zinc/88/31/43/430883143.db2.gz SVZPXQYWQNXAJT-LWYYNNOASA-N 2 0 313.489 2.723 20 0 DFADRP C[C@@H]([NH2+]CC1CC[NH+](CC2CC2)CC1)c1cc2n(n1)CCCC2 ZINC000658353747 430883512 /nfs/dbraw/zinc/88/35/12/430883512.db2.gz QXNHIQCMDJMQNP-OAHLLOKOSA-N 2 0 316.493 2.992 20 0 DFADRP CC1(C)[C@H]([NH2+]CC2CC[NH+](CC3CC3)CC2)[C@@H]2CCCO[C@H]21 ZINC000658355509 430885169 /nfs/dbraw/zinc/88/51/69/430885169.db2.gz JEHVVZASRWUCFT-RCCFBDPRSA-N 2 0 306.494 2.902 20 0 DFADRP C[NH2+]CCCC(=O)N1CCC([NH2+][C@@H](C)c2cc(C)c(C)o2)CC1 ZINC000665288977 430886685 /nfs/dbraw/zinc/88/66/85/430886685.db2.gz CGJGMQFDHHUGSI-AWEZNQCLSA-N 2 0 321.465 2.538 20 0 DFADRP CCc1ccc([C@@H]([NH2+]Cc2nc(C[NH3+])cc(=O)[nH]2)C(C)C)cc1 ZINC000665291865 430887318 /nfs/dbraw/zinc/88/73/18/430887318.db2.gz MYTRNMVEXBEWRS-SFHVURJKSA-N 2 0 314.433 2.690 20 0 DFADRP C[NH2+]CCCC(=O)N1CCC([NH2+][C@@H](CCC(C)C)C2CC2)CC1 ZINC000665289433 430887544 /nfs/dbraw/zinc/88/75/44/430887544.db2.gz NWSZVUOZGGIBEZ-SFHVURJKSA-N 2 0 323.525 2.781 20 0 DFADRP Cn1cc(C[C@@H]2CCC[C@@H]2[NH2+]CCC[NH+]2CCCCC2)cn1 ZINC000661784718 430840216 /nfs/dbraw/zinc/84/02/16/430840216.db2.gz RIECEYYQPAWZJP-ROUUACIJSA-N 2 0 304.482 2.597 20 0 DFADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]C[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000665299913 430890585 /nfs/dbraw/zinc/89/05/85/430890585.db2.gz VILFNBNLIUCBCB-PBHICJAKSA-N 3 0 316.493 2.621 20 0 DFADRP c1cn2c(n1)[C@@H]([NH2+][C@@H]1CC[C@H]3C[NH2+]C[C@H]3C1)CCc1ccccc1-2 ZINC000665299423 430891527 /nfs/dbraw/zinc/89/15/27/430891527.db2.gz MSFNHGPDZZJGTE-MLHJIOFPSA-N 2 0 322.456 2.837 20 0 DFADRP CC[C@@H](C)[NH+]1CCN(Cc2ccc(OCC[NH+](C)C)cc2)CC1 ZINC000648796381 430895079 /nfs/dbraw/zinc/89/50/79/430895079.db2.gz KTGRYNCTWBZFPX-QGZVFWFLSA-N 2 0 319.493 2.543 20 0 DFADRP CC[N@H+](CCC[NH2+]C[C@H]1CNc2ccnn2C1)C1CCCCC1 ZINC000651909547 430913261 /nfs/dbraw/zinc/91/32/61/430913261.db2.gz NZAZTOCDAKYCSZ-INIZCTEOSA-N 2 0 319.497 2.559 20 0 DFADRP CC(C)[NH+](CCNC(=O)C(C)(C)[C@H]([NH3+])c1ccccc1)C(C)C ZINC000645166975 430922746 /nfs/dbraw/zinc/92/27/46/430922746.db2.gz BZNXGZFPSQRVBB-QGZVFWFLSA-N 2 0 319.493 2.948 20 0 DFADRP CCc1nccn1[C@@H](C)CC(=O)NCc1cc(C)nc(C)c1 ZINC000648933177 430942153 /nfs/dbraw/zinc/94/21/53/430942153.db2.gz PTGBSXVHQZRMAH-AWEZNQCLSA-N 2 0 300.406 2.725 20 0 DFADRP CC(C)[C@H](C(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12)[NH+]1CCCCC1 ZINC000655348566 430971567 /nfs/dbraw/zinc/97/15/67/430971567.db2.gz BZJOXLHHELASOX-FGTMMUONSA-N 2 0 321.509 2.630 20 0 DFADRP O[C@@H]1CC[N@@H+](C2CC[NH+]([C@@H]3CCCc4ccccc43)CC2)C1 ZINC000662156004 430983480 /nfs/dbraw/zinc/98/34/80/430983480.db2.gz KCYAKKIFZATSAX-IEBWSBKVSA-N 2 0 300.446 2.595 20 0 DFADRP C[NH+](C)CCOCC[NH2+][C@H]1CCc2ccc(F)c(Cl)c21 ZINC000652192585 430983823 /nfs/dbraw/zinc/98/38/23/430983823.db2.gz FWWAPIOSUQRQBD-ZDUSSCGKSA-N 2 0 300.805 2.634 20 0 DFADRP CC[NH+](CC)CCOc1ccc(NC(=O)C[C@H]([NH3+])C(C)C)cc1 ZINC000645379650 430985476 /nfs/dbraw/zinc/98/54/76/430985476.db2.gz PAOWHQKBHUJXGI-KRWDZBQOSA-N 2 0 321.465 2.719 20 0 DFADRP COc1ccc2c(c1)C[C@H]([NH2+]CCC[N@H+](C)CC(C)C)CO2 ZINC000652222409 430992851 /nfs/dbraw/zinc/99/28/51/430992851.db2.gz NVWZBBKNTBKJNW-INIZCTEOSA-N 2 0 306.450 2.566 20 0 DFADRP CCC(C)(C)[NH+]1CCN(C(=O)CC[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000655409887 430996044 /nfs/dbraw/zinc/99/60/44/430996044.db2.gz KTLAVFZVXWPTQD-INIZCTEOSA-N 2 0 309.498 2.584 20 0 DFADRP C[NH+](C)CCN(C(=O)C[C@@H]1[NH2+]Cc2ccccc21)c1ccccc1 ZINC000659257195 431000107 /nfs/dbraw/zinc/00/01/07/431000107.db2.gz XIPMXILSCYSXAQ-IBGZPJMESA-N 2 0 323.440 2.816 20 0 DFADRP CC1(C)CO[C@@H](c2cccc(F)c2)C[N@@H+]1CC1CC[NH2+]CC1 ZINC000662222064 431003540 /nfs/dbraw/zinc/00/35/40/431003540.db2.gz DWWLYFXYKNULTN-QGZVFWFLSA-N 2 0 306.425 2.977 20 0 DFADRP C[C@@H](c1cc2ccccc2o1)[N@H+](C)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662249018 431012148 /nfs/dbraw/zinc/01/21/48/431012148.db2.gz NJVKTWBJWXJDPF-DZGCQCFKSA-N 2 0 300.402 2.947 20 0 DFADRP C[C@@H]([NH2+]CCc1cccc(C(F)(F)F)n1)C1CC[NH+](C)CC1 ZINC000645477695 431012303 /nfs/dbraw/zinc/01/23/03/431012303.db2.gz MBUJLTUKEKTPQG-GFCCVEGCSA-N 2 0 315.383 2.963 20 0 DFADRP CC[C@@H](Cc1ccc(C)cc1)[N@H+](C)C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662258322 431020278 /nfs/dbraw/zinc/02/02/78/431020278.db2.gz VSPYBNCKZHGAOQ-ROUUACIJSA-N 2 0 302.462 2.769 20 0 DFADRP CN(CC[N@H+](C)Cc1cccc2c1CC[NH2+]C2)c1ccccc1 ZINC000662265755 431020775 /nfs/dbraw/zinc/02/07/75/431020775.db2.gz ZDMLZOBEWWNPGX-UHFFFAOYSA-N 2 0 309.457 2.901 20 0 DFADRP COc1ccc(-c2cc(CN3CC[C@@]4(CC[NH2+]C4)C3)on2)cc1 ZINC000662264946 431020847 /nfs/dbraw/zinc/02/08/47/431020847.db2.gz FJQHUKRCTABGMP-GOSISDBHSA-N 2 0 313.401 2.536 20 0 DFADRP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cccc3c2CC[NH2+]C3)C[C@@H]1C ZINC000662263570 431022639 /nfs/dbraw/zinc/02/26/39/431022639.db2.gz NKPDAJMHOURFGK-YJBOKZPZSA-N 3 0 301.478 2.637 20 0 DFADRP COc1ccc(-c2cc(C[N@@H+]3C[C@@H]4CC[C@H]([NH3+])[C@H]4C3)on2)cc1 ZINC000662267707 431024435 /nfs/dbraw/zinc/02/44/35/431024435.db2.gz YBIAWLKUALQFBC-JQFCIGGWSA-N 2 0 313.401 2.519 20 0 DFADRP Cc1cccc(-c2noc(CN3C[C@@H]4CCC[C@]4(C[NH3+])C3)n2)c1 ZINC000652351739 431026947 /nfs/dbraw/zinc/02/69/47/431026947.db2.gz RMWGWFNOIWKWLK-YJBOKZPZSA-N 2 0 312.417 2.606 20 0 DFADRP [NH3+]CCC[C@H](NC(=O)C[C@H]1[NH2+]Cc2ccccc21)c1ccccc1 ZINC000659322997 431027027 /nfs/dbraw/zinc/02/70/27/431027027.db2.gz UKEYYVXEHWVEPD-RBUKOAKNSA-N 2 0 323.440 2.817 20 0 DFADRP CCn1c2cccc(F)c2nc1CN1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000652352425 431027383 /nfs/dbraw/zinc/02/73/83/431027383.db2.gz VNYMOOOIEHNWHX-UGSOOPFHSA-N 2 0 316.424 2.756 20 0 DFADRP CC[C@@H]1C[N@H+](CCc2ccc3c(c2)OC(F)(F)O3)CC[C@H]1[NH3+] ZINC000662272127 431027529 /nfs/dbraw/zinc/02/75/29/431027529.db2.gz KJSGIWZMGFZWTJ-CHWSQXEVSA-N 2 0 312.360 2.610 20 0 DFADRP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCC[N@H+](CCCCC3CCOCC3)C2)C1 ZINC000652350082 431028428 /nfs/dbraw/zinc/02/84/28/431028428.db2.gz FHGRUKWRBASKNI-QRVBRYPASA-N 2 0 324.509 2.802 20 0 DFADRP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCC[N@H+](CCCOc3ccccc3)C2)C1 ZINC000652346812 431028752 /nfs/dbraw/zinc/02/87/52/431028752.db2.gz IPWQSRPWGNAIDG-LMMKCTJWSA-N 2 0 318.461 2.674 20 0 DFADRP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCC[N@@H+]2CCCOc2ccccc2)C1 ZINC000652361756 431032346 /nfs/dbraw/zinc/03/23/46/431032346.db2.gz OOINDMQIWOSVHY-QRQLOZEOSA-N 2 0 318.461 2.816 20 0 DFADRP CC[C@H](CC(F)F)C[NH+]1CCC([C@H]2C[C@H]([NH3+])CCO2)CC1 ZINC000662280274 431032365 /nfs/dbraw/zinc/03/23/65/431032365.db2.gz CCGNZTFLMYKZOE-BPLDGKMQSA-N 2 0 304.425 2.886 20 0 DFADRP CC(C)C[C@H](C[NH3+])CC(=O)NCCCC[N@@H+]1CCCC[C@@H]1C ZINC000662388905 431069501 /nfs/dbraw/zinc/06/95/01/431069501.db2.gz PWMXAHCBGRKIJQ-IRXDYDNUSA-N 2 0 311.514 2.768 20 0 DFADRP CC[C@H](CC(F)F)C[NH+]1CCC([C@@H]2OCCC[C@H]2[NH3+])CC1 ZINC000662281905 431033051 /nfs/dbraw/zinc/03/30/51/431033051.db2.gz MJSHDRIPLFCAJH-XPKDYRNWSA-N 2 0 304.425 2.886 20 0 DFADRP c1ccc(CCC[C@H]2CCC[N@@H+]2C[C@H]2CCC3(C[NH2+]C3)O2)cc1 ZINC000662283566 431033239 /nfs/dbraw/zinc/03/32/39/431033239.db2.gz AONOQTKDXBDXPW-RBUKOAKNSA-N 2 0 314.473 2.995 20 0 DFADRP Clc1ccc([C@H]([NH2+]C[C@H]2CCC3(C[NH2+]C3)O2)C2CC2)cc1 ZINC000662283577 431033384 /nfs/dbraw/zinc/03/33/84/431033384.db2.gz VEKWHWRRRFWLPD-HZPDHXFCSA-N 2 0 306.837 2.902 20 0 DFADRP CO[C@H](C[NH+]1CCC([C@@H]2OCCC[C@@H]2[NH3+])CC1)C1CCCCC1 ZINC000662281261 431033484 /nfs/dbraw/zinc/03/34/84/431033484.db2.gz LLKKSOMNBHDVPX-OTWHNJEPSA-N 2 0 324.509 2.800 20 0 DFADRP Cc1ccc(C[N@@H+]2CCCC[C@@H]2[C@@H]2C[C@H]([NH3+])CCO2)c(C)n1 ZINC000652364145 431033544 /nfs/dbraw/zinc/03/35/44/431033544.db2.gz ZLZVKNQIUIXLLL-KURKYZTESA-N 2 0 303.450 2.559 20 0 DFADRP Cc1cccc(NC(=O)C[NH+]2CCC([C@H]3CCC[NH2+]C3)CC2)c1 ZINC000662289995 431034645 /nfs/dbraw/zinc/03/46/45/431034645.db2.gz CYCWQOUYIJJYLR-KRWDZBQOSA-N 2 0 315.461 2.645 20 0 DFADRP CO[C@H](C[N@@H+]1CCCC[C@@H]1[C@@H]1C[C@@H]([NH3+])CCO1)C1CCCCC1 ZINC000662285077 431035142 /nfs/dbraw/zinc/03/51/42/431035142.db2.gz WEMNTHOCXBOAEQ-ZSYWTGECSA-N 2 0 324.509 2.943 20 0 DFADRP COc1ccc(CC[NH+]2CCC([C@H]3CCC[NH2+]C3)CC2)cc1 ZINC000662290164 431035679 /nfs/dbraw/zinc/03/56/79/431035679.db2.gz ADWZFYDONSOBPC-SFHVURJKSA-N 2 0 302.462 2.949 20 0 DFADRP c1ccc(COCC[N@@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)cc1 ZINC000662292186 431036252 /nfs/dbraw/zinc/03/62/52/431036252.db2.gz BXGVCFBXAGKKHK-LJQANCHMSA-N 2 0 302.462 2.915 20 0 DFADRP Cc1cccc(NC(=O)C[N@@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)c1 ZINC000662296219 431038437 /nfs/dbraw/zinc/03/84/37/431038437.db2.gz YGRGVGCPVMZSTD-QGZVFWFLSA-N 2 0 315.461 2.645 20 0 DFADRP CCC[C@@H]([NH2+]C(C)C)C(=O)N[C@H](C[NH+](C)C)c1ccc(F)cc1 ZINC000360212749 278870387 /nfs/dbraw/zinc/87/03/87/278870387.db2.gz KTTWKJIBGMJAJM-IAGOWNOFSA-N 2 0 323.456 2.711 20 0 DFADRP Cn1cc(C[C@H]2CCC[C@H]2[NH2+]CCCC2CC[NH2+]CC2)cn1 ZINC000662310691 431041751 /nfs/dbraw/zinc/04/17/51/431041751.db2.gz MKHWFOFRZBIRMK-QZTJIDSGSA-N 2 0 304.482 2.501 20 0 DFADRP Cc1cccc(NC(=O)C[N@H+]2CCC[C@@H](C)[C@H]2CCC[NH3+])c1 ZINC000662312921 431042793 /nfs/dbraw/zinc/04/27/93/431042793.db2.gz ATVHQBNOSOFJMG-NVXWUHKLSA-N 2 0 303.450 2.773 20 0 DFADRP C[C@@H]1CCCN(C(=O)C[C@@H]2[NH2+]Cc3ccccc32)[C@@H]1CCC[NH3+] ZINC000659375851 431043862 /nfs/dbraw/zinc/04/38/62/431043862.db2.gz RANOHEKQUVZBQP-FHLIZLRMSA-N 2 0 315.461 2.587 20 0 DFADRP C[C@@H]1CCC[N@H+](CCc2nc3ccccc3n2C)[C@@H]1CCC[NH3+] ZINC000662316665 431044847 /nfs/dbraw/zinc/04/48/47/431044847.db2.gz LRVMIGZOLCVUBW-NVXWUHKLSA-N 2 0 314.477 2.955 20 0 DFADRP CCO[C@@H](C)c1noc(C[N@@H+]2CCC[C@@H](C)[C@H]2CCC[NH3+])n1 ZINC000662313758 431044898 /nfs/dbraw/zinc/04/48/98/431044898.db2.gz LWLWRTWYJJUBOU-HZSPNIEDSA-N 2 0 310.442 2.507 20 0 DFADRP CN(CCC[N@@H+]1CCO[C@H](CCC[NH+](C)C)C1)c1ccccc1 ZINC000662325307 431045734 /nfs/dbraw/zinc/04/57/34/431045734.db2.gz DPXLUPJVSBUGBG-LJQANCHMSA-N 2 0 319.493 2.556 20 0 DFADRP C[NH+](C)CCC[C@H]1C[N@H+](CC2CCC(F)(F)CC2)CCO1 ZINC000662325761 431046383 /nfs/dbraw/zinc/04/63/83/431046383.db2.gz JMVILIGVLRRJRC-HNNXBMFYSA-N 2 0 304.425 2.855 20 0 DFADRP C[NH+](C)CCC[C@@H]1C[N@H+](CCCCC2CCOCC2)CCO1 ZINC000662324508 431047019 /nfs/dbraw/zinc/04/70/19/431047019.db2.gz XCVLTOKOAPYJFF-GOSISDBHSA-N 2 0 312.498 2.626 20 0 DFADRP C[NH+](C)CCC[C@H]1C[N@H+](CCCc2cccc(F)c2)CCO1 ZINC000662325848 431048037 /nfs/dbraw/zinc/04/80/37/431048037.db2.gz QVBPCKUCWKFEBB-SFHVURJKSA-N 2 0 308.441 2.801 20 0 DFADRP CC[C@H]([NH2+]C)C(=O)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000662343046 431052681 /nfs/dbraw/zinc/05/26/81/431052681.db2.gz OAKDETMDZRQUJD-HOTGVXAUSA-N 2 0 323.868 2.591 20 0 DFADRP CC1CC[NH+](CCCNC(=O)[C@H]([NH3+])c2cccc(Cl)c2)CC1 ZINC000649281566 431054281 /nfs/dbraw/zinc/05/42/81/431054281.db2.gz UEBQHHHBAJXDNU-MRXNPFEDSA-N 2 0 323.868 2.578 20 0 DFADRP CC(C)[N@H+](C)Cc1ccccc1CNC(=O)CCC(C)(C)[NH3+] ZINC000649288911 431057263 /nfs/dbraw/zinc/05/72/63/431057263.db2.gz WJJCUAKKZZEQOE-UHFFFAOYSA-N 2 0 305.466 2.661 20 0 DFADRP CC(C)([NH3+])CCC(=O)Nc1ccc(CC[NH+]2CCCC2)cc1 ZINC000649305855 431062157 /nfs/dbraw/zinc/06/21/57/431062157.db2.gz HJDZWFBZNFKHPN-UHFFFAOYSA-N 2 0 303.450 2.781 20 0 DFADRP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)[C@@H]2CCCCC[NH2+]2)C1 ZINC000649310915 431062940 /nfs/dbraw/zinc/06/29/40/431062940.db2.gz NLDJHAYSCSGLLV-KURKYZTESA-N 2 0 321.509 2.632 20 0 DFADRP CC[NH+](CC)[C@@H](C)CNC(=O)c1ccc2c(c1)[C@H](C[NH3+])CCC2 ZINC000662384539 431065890 /nfs/dbraw/zinc/06/58/90/431065890.db2.gz YPHQNQIMMRBYDW-YOEHRIQHSA-N 2 0 317.477 2.525 20 0 DFADRP C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)CCC(C)(C)[NH3+])CC1 ZINC000649323658 431067335 /nfs/dbraw/zinc/06/73/35/431067335.db2.gz MUVAPSMATBICOO-HNNXBMFYSA-N 2 0 317.477 2.846 20 0 DFADRP CC(C)[NH2+]CC(=O)NCc1ccccc1C[N@@H+]1CCCC[C@H]1C ZINC000659284299 431012934 /nfs/dbraw/zinc/01/29/34/431012934.db2.gz CZYKCCPAYSCTDY-MRXNPFEDSA-N 2 0 317.477 2.675 20 0 DFADRP CC[N@@H+](Cc1ccc(Cl)s1)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662248781 431013367 /nfs/dbraw/zinc/01/33/67/431013367.db2.gz JHLOZLKRPSWPCE-LLVKDONJSA-N 2 0 300.855 2.744 20 0 DFADRP C[C@@H]1C[C@@H](c2ccc(F)cc2)C[N@@H+]1C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662254822 431015129 /nfs/dbraw/zinc/01/51/29/431015129.db2.gz ADWDZXGMKJDYLK-UNEWFSDZSA-N 2 0 304.409 2.525 20 0 DFADRP C[C@@H]1C[C@H](c2ccc(F)cc2)C[N@@H+]1C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662254821 431015338 /nfs/dbraw/zinc/01/53/38/431015338.db2.gz ADWDZXGMKJDYLK-UKPHBRMFSA-N 2 0 304.409 2.525 20 0 DFADRP Fc1cccc(CC2CC[NH+](C[C@H]3CCC4(C[NH2+]C4)O3)CC2)c1 ZINC000662252404 431015620 /nfs/dbraw/zinc/01/56/20/431015620.db2.gz NJVXSKDFBUDZSP-GOSISDBHSA-N 2 0 318.436 2.601 20 0 DFADRP C[N@H+](Cc1ccccc1)C1CCC([NH2+][C@@H](CO)CCF)CC1 ZINC000652302176 431016460 /nfs/dbraw/zinc/01/64/60/431016460.db2.gz RRJLLNAWKUAALP-LXPRWKDFSA-N 2 0 308.441 2.740 20 0 DFADRP C[C@]1(c2ccccc2)CCC[N@H+](C[C@H]2CCC3(C[NH2+]C3)O2)C1 ZINC000662254789 431016536 /nfs/dbraw/zinc/01/65/36/431016536.db2.gz MBKOSIXPNLELHV-MSOLQXFVSA-N 2 0 300.446 2.561 20 0 DFADRP CC(C)[NH2+]CC(=O)NCc1ccccc1C[NH+]1CCC(C)CC1 ZINC000659306141 431018216 /nfs/dbraw/zinc/01/82/16/431018216.db2.gz CQBISCIOZHVGNX-UHFFFAOYSA-N 2 0 317.477 2.533 20 0 DFADRP C[C@@H]1CCC[N@H+](Cc2ccc(NC(=O)[C@H]3[NH2+]CC3(C)C)cc2)C1 ZINC000645502746 431018436 /nfs/dbraw/zinc/01/84/36/431018436.db2.gz MJOJCHHPMYZOOJ-RHSMWYFYSA-N 2 0 315.461 2.855 20 0 DFADRP CC(C)[C@H](Cc1ccc(F)cc1)[N@H+](C)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662257893 431019350 /nfs/dbraw/zinc/01/93/50/431019350.db2.gz SUFACQAURJPHBK-MSOLQXFVSA-N 2 0 320.452 2.846 20 0 DFADRP C[C@H](c1ccccc1)[C@H](O)C[N@H+](C)C[C@H]1CCc2nccn2C1 ZINC000649460623 431108657 /nfs/dbraw/zinc/10/86/57/431108657.db2.gz DEVDJMVETWPBEU-JFIYKMOQSA-N 2 0 313.445 2.542 20 0 DFADRP C[C@H](NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1)c1ccn(C)n1 ZINC000666086461 431111977 /nfs/dbraw/zinc/11/19/77/431111977.db2.gz SJXIXDWYOLCPAW-WMZOPIPTSA-N 2 0 312.461 2.983 20 0 DFADRP Cc1cc2c(c(C)c1)[C@H]([NH2+]CCN1CC[N@@H+](C)C(C)(C)C1)CC2 ZINC000655762430 431121967 /nfs/dbraw/zinc/12/19/67/431121967.db2.gz FDBUPKNUTSTBSK-GOSISDBHSA-N 2 0 315.505 2.906 20 0 DFADRP [NH3+][C@@H]1CCCCCC[C@@H]1C(=O)N1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000662589392 431124866 /nfs/dbraw/zinc/12/48/66/431124866.db2.gz YSHAGQWCIRUQHX-OKZBNKHCSA-N 2 0 321.509 2.522 20 0 DFADRP C[C@H]([NH3+])c1ccc(C(=O)NC[C@H]2CC[N@@H+](C(C)(C)C)C2)cc1 ZINC000662592709 431124917 /nfs/dbraw/zinc/12/49/17/431124917.db2.gz JQDDROOEVZWUGL-UONOGXRCSA-N 2 0 303.450 2.557 20 0 DFADRP CC[NH+](CC)C[C@H]1CCN(C(=O)[C@H]([NH3+])c2cccc(Cl)c2)C1 ZINC000649342734 431071592 /nfs/dbraw/zinc/07/15/92/431071592.db2.gz LWCFMGCOCHMERQ-CZUORRHYSA-N 2 0 323.868 2.530 20 0 DFADRP Cc1cccc(NC[C@H]2CC[N@H+](CCC[C@@H]3CCOC3)C2)n1 ZINC000645807027 431077765 /nfs/dbraw/zinc/07/77/65/431077765.db2.gz TXKSAWLGJRBTCB-IAGOWNOFSA-N 2 0 303.450 2.941 20 0 DFADRP CCC[NH+](CCC)CCCC(=O)N[C@@H]1CC[NH2+]C2(CCC2)C1 ZINC000649370576 431078945 /nfs/dbraw/zinc/07/89/45/431078945.db2.gz RYKJRSQTACAAIL-MRXNPFEDSA-N 2 0 309.498 2.680 20 0 DFADRP CC(C)C[N@H+](C)CCCNC(=O)[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC000652522274 431080265 /nfs/dbraw/zinc/08/02/65/431080265.db2.gz AYBVMXFYJPHKQN-QGZVFWFLSA-N 2 0 323.525 2.735 20 0 DFADRP CN(CCC[NH+]1CCN(c2cc[nH+]cc2)CC1)c1ccccc1 ZINC000645814831 431081031 /nfs/dbraw/zinc/08/10/31/431081031.db2.gz OSSWTABVXFCCHB-UHFFFAOYSA-N 2 0 310.445 2.730 20 0 DFADRP C[C@H]1CCCC[N@@H+]1CCC1CCN(C(=O)CC2([NH3+])CCC2)CC1 ZINC000649378070 431082601 /nfs/dbraw/zinc/08/26/01/431082601.db2.gz MIWDCQNCEAGRDW-INIZCTEOSA-N 2 0 321.509 2.761 20 0 DFADRP Cc1cc2c(c(C)c1)[C@H]([NH2+]C[C@@H](C)CN1CC[NH+](C)CC1)CC2 ZINC000655708344 431092344 /nfs/dbraw/zinc/09/23/44/431092344.db2.gz HNYCDMTYNJQUMD-VQIMIIECSA-N 2 0 315.505 2.764 20 0 DFADRP Fc1ccc(C[N@H+](CCc2ccccn2)C[C@H]2CC[NH2+]C2)cc1 ZINC000649412104 431092771 /nfs/dbraw/zinc/09/27/71/431092771.db2.gz KYRHLYAVWXTXFT-KRWDZBQOSA-N 2 0 313.420 2.875 20 0 DFADRP CC[C@H](NC1CC[NH+]([C@H]2CCOC2)CC1)c1nc(C)cs1 ZINC000655712439 431093414 /nfs/dbraw/zinc/09/34/14/431093414.db2.gz NOKMRWIBCCATRB-GJZGRUSLSA-N 2 0 309.479 2.746 20 0 DFADRP CCN(C[C@@H]1CC[NH2+]C1)[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000649411857 431093638 /nfs/dbraw/zinc/09/36/38/431093638.db2.gz JYBXDDNGRYZOPN-ZHALLVOQSA-N 2 0 301.478 2.753 20 0 DFADRP Cc1cc(C)n(C[C@@H]2CCCC[N@@H+]2CC[C@H]2CCC[NH2+]C2)n1 ZINC000649413111 431094132 /nfs/dbraw/zinc/09/41/32/431094132.db2.gz LYEHHGLPXMTLMM-MSOLQXFVSA-N 2 0 304.482 2.744 20 0 DFADRP CN(Cc1ccccc1)[C@@H]1CC[N@H+](CC[C@@H]2CCC[NH2+]C2)C1 ZINC000649413972 431095367 /nfs/dbraw/zinc/09/53/67/431095367.db2.gz ZVJGCIAQIKQHAT-PKOBYXMFSA-N 2 0 301.478 2.582 20 0 DFADRP Cc1cc(C)n(-c2ccc(CN3CC[C@@H]4CC[NH2+][C@H]4C3)cc2)n1 ZINC000649419027 431095663 /nfs/dbraw/zinc/09/56/63/431095663.db2.gz CAHSBVKPNFZFKC-HKUYNNGSSA-N 2 0 310.445 2.673 20 0 DFADRP Cc1ccnc(NC[C@@H]2CC[N@H+](CCCC3CC[NH2+]CC3)C2)c1 ZINC000649414705 431095966 /nfs/dbraw/zinc/09/59/66/431095966.db2.gz RJFCVTNKTDSZHE-SFHVURJKSA-N 2 0 316.493 2.904 20 0 DFADRP Cc1ccnc(NC[C@H]2CC[N@H+](CC[C@@H]3CCC[NH2+]C3)C2)c1 ZINC000649414739 431096509 /nfs/dbraw/zinc/09/65/09/431096509.db2.gz UVWYGVZYAWUCKN-DLBZAZTESA-N 2 0 302.466 2.514 20 0 DFADRP CC[C@H]([NH2+]C)C(=O)N(CC)[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000662502196 431099710 /nfs/dbraw/zinc/09/97/10/431099710.db2.gz JQHISQILVNJGRO-NJAFHUGGSA-N 2 0 317.477 2.668 20 0 DFADRP [NH3+][C@H](CC1CCCCC1)C(=O)N1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000662587491 431126165 /nfs/dbraw/zinc/12/61/65/431126165.db2.gz GBPFTOLQDRYYRU-QZTJIDSGSA-N 2 0 321.509 2.522 20 0 DFADRP CC[NH+](CC)CCOCC[NH2+][C@H]1CCCc2c(O)cccc21 ZINC000361001988 279109300 /nfs/dbraw/zinc/10/93/00/279109300.db2.gz HSQJGEXXZDIRCS-KRWDZBQOSA-N 2 0 306.450 2.718 20 0 DFADRP CC[NH+](CC)CCOc1ccccc1C[NH2+][C@H]1CCOC[C@@H]1C ZINC000192479543 279110780 /nfs/dbraw/zinc/11/07/80/279110780.db2.gz TVFHCHWAPZPIOA-WMZOPIPTSA-N 2 0 320.477 2.922 20 0 DFADRP CC[NH+](CC)[C@@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC000361498188 279151112 /nfs/dbraw/zinc/15/11/12/279151112.db2.gz SAMWBBARMWBKDK-SJLPKXTDSA-N 2 0 321.509 2.584 20 0 DFADRP CC[NH+](CC)[C@H](CN[C@H]1CC[N@H+](C)C[C@H]1C)c1ccccc1 ZINC000359388551 279165523 /nfs/dbraw/zinc/16/55/23/279165523.db2.gz ZSASUATUWNNQSX-NZSAHSFTSA-N 2 0 303.494 2.999 20 0 DFADRP Cc1ccccc1C1([NH2+]CCCN2CC[NH+](C(C)C)CC2)CC1 ZINC000645980757 431135857 /nfs/dbraw/zinc/13/58/57/431135857.db2.gz IPPOZMFMSQZKGE-UHFFFAOYSA-N 2 0 315.505 2.990 20 0 DFADRP CC(C)Cc1ccc([C@@H](C)[NH2+]CC2(O)CC[NH+](C)CC2)cc1 ZINC000268973518 279242566 /nfs/dbraw/zinc/24/25/66/279242566.db2.gz IMJYWNCQIKWJCT-MRXNPFEDSA-N 2 0 304.478 2.992 20 0 DFADRP C[C@H](CC(=O)Nc1ccc(F)cc1)[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000363918571 279247139 /nfs/dbraw/zinc/24/71/39/279247139.db2.gz CZJIQDQEQHCVKD-KBRIMQKVSA-N 2 0 319.424 2.759 20 0 DFADRP CC[NH+](CC)CC1CC[NH+](CCCC(=O)NCC(C)C)CC1 ZINC000659842535 431138185 /nfs/dbraw/zinc/13/81/85/431138185.db2.gz BLTMNQJZJFLTBB-UHFFFAOYSA-N 2 0 311.514 2.593 20 0 DFADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)[C@H]1CCC(C)(C)C1 ZINC000359040433 279329562 /nfs/dbraw/zinc/32/95/62/279329562.db2.gz KYICQEAPEGMPJB-IRXDYDNUSA-N 2 0 323.525 2.687 20 0 DFADRP C[C@H](C[NH2+][C@@H]1CC(C)(C)Cc2occc21)CN1CC[NH+](C)CC1 ZINC000120881936 279348644 /nfs/dbraw/zinc/34/86/44/279348644.db2.gz TZNMUVIJWDVIKD-NVXWUHKLSA-N 2 0 319.493 2.766 20 0 DFADRP CC[NH+]1CCN(c2ccccc2C[N@@H+]2CCS[C@H](C)C2)CC1 ZINC000131394390 279375638 /nfs/dbraw/zinc/37/56/38/279375638.db2.gz LHOJVRLODHRNAC-MRXNPFEDSA-N 2 0 319.518 2.766 20 0 DFADRP Cc1c(F)cccc1NC(=O)N[C@@H](C)CN(C)CCC[NH+](C)C ZINC000666245365 431163723 /nfs/dbraw/zinc/16/37/23/431163723.db2.gz WGQIEQCABIXMDC-ZDUSSCGKSA-N 2 0 324.444 2.528 20 0 DFADRP CC(C)C[C@H](C[NH3+])CC(=O)N(CC[NH+](C)C)c1ccccc1 ZINC000662698178 431164603 /nfs/dbraw/zinc/16/46/03/431164603.db2.gz IQJXXXQOJABBCK-INIZCTEOSA-N 2 0 305.466 2.592 20 0 DFADRP C[NH+](C)[C@H]1C[C@@H](C[NH2+]Cc2cnn(-c3ccc(Cl)cc3)c2)C1 ZINC000655827270 431170459 /nfs/dbraw/zinc/17/04/59/431170459.db2.gz PNXJZAQTMDGZCZ-XFHMXUHZSA-N 2 0 318.852 2.956 20 0 DFADRP Cc1nn(-c2ccccc2)c(C)c1C[NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000655826424 431171820 /nfs/dbraw/zinc/17/18/20/431171820.db2.gz VQNBWUXCVLVREP-MAEOIBBWSA-N 2 0 312.461 2.919 20 0 DFADRP COc1cccc(-c2n[nH]cc2C[NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)c1 ZINC000655827679 431173587 /nfs/dbraw/zinc/17/35/87/431173587.db2.gz YCPPZMBRINQZLJ-AKAXFMLLSA-N 2 0 314.433 2.515 20 0 DFADRP CCc1ccccc1CC[N@@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000646106199 431186782 /nfs/dbraw/zinc/18/67/82/431186782.db2.gz SDACDTACZNBTMV-UHFFFAOYSA-N 2 0 302.462 2.588 20 0 DFADRP CSc1ccccc1C[N@@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000646105675 431186854 /nfs/dbraw/zinc/18/68/54/431186854.db2.gz BYFIVVINKZREHY-UHFFFAOYSA-N 2 0 306.475 2.705 20 0 DFADRP COc1cccc([C@H](C)[N@@H+]2CCOC3(CC[NH+](C)CC3)C2)c1 ZINC000646104859 431187322 /nfs/dbraw/zinc/18/73/22/431187322.db2.gz QXIQJACPIIYZEB-HNNXBMFYSA-N 2 0 304.434 2.553 20 0 DFADRP CCC[C@H](O)C[N@H+](C)C[C@@H]1CC[NH+](Cc2ccc(C)s2)C1 ZINC000649603343 431191586 /nfs/dbraw/zinc/19/15/86/431191586.db2.gz HXKNEPQUKVTCOP-HOTGVXAUSA-N 2 0 310.507 2.971 20 0 DFADRP Cc1ccc(C[NH+]2CC[C@@H](C[N@@H+](C)C[C@@H]3CCCO3)C2)s1 ZINC000649604448 431191841 /nfs/dbraw/zinc/19/18/41/431191841.db2.gz FKNMJVLBEJQBTA-HOTGVXAUSA-N 2 0 308.491 2.989 20 0 DFADRP CCC[C@@H](O)C[N@H+](C)C[C@@H]1CC[NH+](Cc2ccc(C)s2)C1 ZINC000649603345 431192485 /nfs/dbraw/zinc/19/24/85/431192485.db2.gz HXKNEPQUKVTCOP-JKSUJKDBSA-N 2 0 310.507 2.971 20 0 DFADRP CCC[N@H+](CCc1cccc(F)c1)C[C@H](O)C[NH+](C)C(C)C ZINC000659926873 431193890 /nfs/dbraw/zinc/19/38/90/431193890.db2.gz HBKSCBYEWHZGJY-GOSISDBHSA-N 2 0 310.457 2.781 20 0 DFADRP C(C[NH+]1CCOCC1)C1CC[NH+](C[C@@H]2CC[C@H]3C[C@H]3C2)CC1 ZINC000659860715 431152588 /nfs/dbraw/zinc/15/25/88/431152588.db2.gz CIUFIVBRQQDTQB-CEXWTWQISA-N 2 0 306.494 2.857 20 0 DFADRP C[C@@H]1[C@H]([NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)CCCN1Cc1ccccc1 ZINC000655804416 431155347 /nfs/dbraw/zinc/15/53/47/431155347.db2.gz YKJVNJGNTVHVNK-RSPOEFSDSA-N 2 0 315.505 2.969 20 0 DFADRP Cc1cccc(NC(=O)C[C@H](C)[NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)c1C ZINC000655805328 431158873 /nfs/dbraw/zinc/15/88/73/431158873.db2.gz GBJZQHUQBFQBQF-BHYGNILZSA-N 2 0 317.477 2.950 20 0 DFADRP CCC(C)(C)[NH+]1CCN(C(=O)Nc2ccccc2C[NH2+]C)CC1 ZINC000655907394 431211086 /nfs/dbraw/zinc/21/10/86/431211086.db2.gz IBXAYLLHDNQTRR-UHFFFAOYSA-N 2 0 318.465 2.744 20 0 DFADRP C[NH2+]Cc1ccc(NC(=O)N[C@H]2CCC[N@@H+]3CCCC[C@H]23)cc1 ZINC000655909409 431215081 /nfs/dbraw/zinc/21/50/81/431215081.db2.gz JBRYBDPKSKOIML-DLBZAZTESA-N 2 0 316.449 2.544 20 0 DFADRP COc1ccc([C@@H](C[NH3+])C[N@@H+]2CCC[C@H](OC3CCC3)C2)cc1 ZINC000655948032 431225661 /nfs/dbraw/zinc/22/56/61/431225661.db2.gz WHTFFUMQAMQNLL-LPHOPBHVSA-N 2 0 318.461 2.771 20 0 DFADRP C[C@@H](C(=O)N1CCC[C@@H](C)[C@H]1CCC[NH3+])[C@H]([NH3+])c1ccccc1 ZINC000662890900 431229651 /nfs/dbraw/zinc/22/96/51/431229651.db2.gz QCRTYBQHZPAHNQ-AHCXZYCDSA-N 2 0 317.477 2.689 20 0 DFADRP COC1([C@H](C)[NH2+]Cc2ccc(OCC[NH+](C)C)cc2)CCC1 ZINC000666454008 431235830 /nfs/dbraw/zinc/23/58/30/431235830.db2.gz LOSQSRYXCPFMDZ-HNNXBMFYSA-N 2 0 306.450 2.674 20 0 DFADRP C[N@@H+]1CCC[C@@]2(CC[NH+](C[C@@H]3CCOc4ccccc43)C2)C1 ZINC000646243265 431236880 /nfs/dbraw/zinc/23/68/80/431236880.db2.gz SDEBCTFGYNIXIW-QFBILLFUSA-N 2 0 300.446 2.970 20 0 DFADRP [NH3+]Cc1ccc(C(=O)Nc2cccc(CC[NH+]3CCCC3)c2)o1 ZINC000646288351 431255891 /nfs/dbraw/zinc/25/58/91/431255891.db2.gz LRSOHTDIJYEISB-UHFFFAOYSA-N 2 0 313.401 2.629 20 0 DFADRP CC(C)[C@H]([NH3+])CC(=O)Nc1ccc(CC[NH+]2CCCC2)cc1 ZINC000646427137 431304407 /nfs/dbraw/zinc/30/44/07/431304407.db2.gz NXHHJTMDIYVRKY-QGZVFWFLSA-N 2 0 303.450 2.637 20 0 DFADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+][C@H]1CCCN2CCCC[C@@H]12 ZINC000656201589 431305390 /nfs/dbraw/zinc/30/53/90/431305390.db2.gz SCGMUHIEGCMZNI-WBAXXEDZSA-N 2 0 302.466 2.516 20 0 DFADRP CC[N@H+](CCCNC(=O)[C@H]1CC[NH2+][C@H]1C(C)C)C1CCCCC1 ZINC000653200518 431305472 /nfs/dbraw/zinc/30/54/72/431305472.db2.gz HAKFIMLOIHJTDC-ROUUACIJSA-N 2 0 323.525 2.781 20 0 DFADRP CC[N@H+](CCCNC(=O)[C@@]1(C)CCCC[NH2+]1)C1CCCCC1 ZINC000653200940 431305633 /nfs/dbraw/zinc/30/56/33/431305633.db2.gz VDTONTQULWZJAX-GOSISDBHSA-N 2 0 309.498 2.680 20 0 DFADRP C[C@H](Cc1ccccn1)[NH2+][C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000656201472 431306053 /nfs/dbraw/zinc/30/60/53/431306053.db2.gz PTJDGYCFDCVHLN-MOXGXCLJSA-N 2 0 323.440 2.858 20 0 DFADRP CC[N@H+](CCCNC(=O)[C@@H](C(C)C)[C@H](C)[NH3+])C1CCCCC1 ZINC000653200635 431306915 /nfs/dbraw/zinc/30/69/15/431306915.db2.gz KZAJUVBXPNHEGX-RDJZCZTQSA-N 2 0 311.514 2.767 20 0 DFADRP COc1c(C)ncnc1NCCC[N@H+](C)Cc1ccccc1 ZINC000656106707 431262496 /nfs/dbraw/zinc/26/24/96/431262496.db2.gz YLHHJQJOBSCPPW-UHFFFAOYSA-N 2 0 300.406 2.728 20 0 DFADRP CC(C)[C@H]1CN(C(=O)CC[C@H]([NH3+])CC2CCCCC2)CC[NH2+]1 ZINC000646329643 431269779 /nfs/dbraw/zinc/26/97/79/431269779.db2.gz RFVFREGFNNWNMK-DLBZAZTESA-N 2 0 309.498 2.521 20 0 DFADRP CC(C)[N@H+](C)Cc1cccc(CNC(=O)[C@@H]2CCC[NH2+]CC2)c1 ZINC000653112638 431271183 /nfs/dbraw/zinc/27/11/83/431271183.db2.gz FFCQXTGUXCJFPL-GOSISDBHSA-N 2 0 317.477 2.533 20 0 DFADRP CC[NH+](CC)Cc1ccc(CNC(=O)[C@@H]2CCC[NH2+]CC2)cc1 ZINC000653106605 431271238 /nfs/dbraw/zinc/27/12/38/431271238.db2.gz FLPJSJHJCYFCSL-GOSISDBHSA-N 2 0 317.477 2.534 20 0 DFADRP COc1cc2[nH+]ccc(N3CCCC[C@@H]3CC[NH3+])c2cc1OC ZINC000663239582 431337167 /nfs/dbraw/zinc/33/71/67/431337167.db2.gz MVPUOOUVEWNRBW-CYBMUJFWSA-N 2 0 315.417 2.960 20 0 DFADRP C[C@@H]1C[NH+](CC2CC[NH+](C[C@H]3CCC(C)(C)O3)CC2)C[C@@H](C)O1 ZINC000248547849 288153403 /nfs/dbraw/zinc/15/34/03/288153403.db2.gz GKHGVYZBVCBQIK-JFIYKMOQSA-N 2 0 324.509 2.765 20 0 DFADRP [NH3+][C@@H](CCC(=O)NCCC1CC[NH2+]CC1)CC1CCCCC1 ZINC000653273093 431344461 /nfs/dbraw/zinc/34/44/61/431344461.db2.gz OKELABOWTROKKB-KRWDZBQOSA-N 2 0 309.498 2.570 20 0 DFADRP CC(C)CNC(=O)CCC[NH2+][C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000660256002 431344828 /nfs/dbraw/zinc/34/48/28/431344828.db2.gz HNAIASHCISRPFK-IRXDYDNUSA-N 2 0 323.525 2.781 20 0 DFADRP Cc1cc(CN[C@@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)nc(C)n1 ZINC000660256673 431345363 /nfs/dbraw/zinc/34/53/63/431345363.db2.gz MVOUNKFZABBYFC-HOCLYGCPSA-N 2 0 302.466 2.836 20 0 DFADRP CC[C@H](C)Oc1cc(C[NH2+]CC[C@@H]2CC[NH2+]C2)ccc1OC ZINC000666787292 431358208 /nfs/dbraw/zinc/35/82/08/431358208.db2.gz BGMHGMBSCQWJMU-GJZGRUSLSA-N 2 0 306.450 2.962 20 0 DFADRP O=C(NC[C@@H]1CCCC[NH2+]1)c1cccc(Oc2ccncc2)c1 ZINC000646651297 431358520 /nfs/dbraw/zinc/35/85/20/431358520.db2.gz WJGIFRCQZYZOJU-HNNXBMFYSA-N 2 0 311.385 2.746 20 0 DFADRP C[C@H](CCC[NH3+])[NH2+]Cc1cnn(Cc2ccccc2Cl)c1 ZINC000666941202 431416542 /nfs/dbraw/zinc/41/65/42/431416542.db2.gz GAYVCTXWMKFAPK-CYBMUJFWSA-N 2 0 306.841 2.802 20 0 DFADRP c1cc(COc2ccc(C[NH2+][C@H]3CC34CC[NH2+]CC4)cc2)ccn1 ZINC000666950719 431420061 /nfs/dbraw/zinc/42/00/61/431420061.db2.gz CHRFIDIGYHSMHG-IBGZPJMESA-N 2 0 323.440 2.892 20 0 DFADRP COc1cc(C[NH2+][C@@H]2CC23CC[NH2+]CC3)c(SC)cc1OC ZINC000666952287 431423487 /nfs/dbraw/zinc/42/34/87/431423487.db2.gz OPUNGIOGFVPFTB-MRXNPFEDSA-N 2 0 322.474 2.657 20 0 DFADRP C[C@H](CC(=O)Nc1cccc(Cl)c1)[NH2+][C@@H]1CC12CC[NH2+]CC2 ZINC000666953728 431423496 /nfs/dbraw/zinc/42/34/96/431423496.db2.gz GKMPVWGANHSXPD-IUODEOHRSA-N 2 0 321.852 2.789 20 0 DFADRP Cn1cnc2cc(C[NH2+]C[C@H]3CCC[N@H+](CC4CC4)C3)ccc21 ZINC000663345361 431377474 /nfs/dbraw/zinc/37/74/74/431377474.db2.gz IYELOVUPNNGWPH-QGZVFWFLSA-N 2 0 312.461 2.785 20 0 DFADRP CC(C)C[N@@H+]1CCC[C@@H]1C[NH2+]CCC(=O)N(C)c1ccccc1 ZINC000663360987 431384906 /nfs/dbraw/zinc/38/49/06/431384906.db2.gz YPMUVBZLLHGVNT-GOSISDBHSA-N 2 0 317.477 2.750 20 0 DFADRP CN(C(=O)CC[NH2+]C1CCC(C[NH+](C)C)CC1)c1ccccc1 ZINC000663360081 431385872 /nfs/dbraw/zinc/38/58/72/431385872.db2.gz LNRFWEPQSGUTLI-UHFFFAOYSA-N 2 0 317.477 2.750 20 0 DFADRP CC(C)(C)[C@H]([NH3+])c1cn([C@@H]2CC[N@H+](Cc3ccccc3)C2)nn1 ZINC000656455338 431391257 /nfs/dbraw/zinc/39/12/57/431391257.db2.gz DKFKHKZQFAHVOR-NVXWUHKLSA-N 2 0 313.449 2.771 20 0 DFADRP CC[C@H](C)Oc1cc(C[NH2+][C@@H]2CC[NH2+]C[C@@H]2C)ccc1OC ZINC000666879648 431392879 /nfs/dbraw/zinc/39/28/79/431392879.db2.gz UKRNQCDGNAYAPN-OFQRWUPVSA-N 2 0 306.450 2.960 20 0 DFADRP Fc1ccc(-c2n[nH]cc2C[NH2+][C@@H]2CC[NH2+]C3(CCC3)C2)cc1 ZINC000666998324 431441094 /nfs/dbraw/zinc/44/10/94/431441094.db2.gz NTJHSZWTHLCEEU-MRXNPFEDSA-N 2 0 314.408 2.980 20 0 DFADRP COc1cc(Br)ccc1C[NH2+]CC[C@@H]([NH3+])C(C)C ZINC000663499768 431444849 /nfs/dbraw/zinc/44/48/49/431444849.db2.gz MGJRTMJKQZFYRO-CYBMUJFWSA-N 2 0 315.255 2.921 20 0 DFADRP COc1cc(C[NH2+]CC[C@@H]([NH3+])C(C)C)cc(Cl)c1OC ZINC000663497772 431445387 /nfs/dbraw/zinc/44/53/87/431445387.db2.gz GFFNKGAMRJUUBR-CYBMUJFWSA-N 2 0 300.830 2.820 20 0 DFADRP Cc1nn(-c2cccc(F)c2)cc1C[NH2+]CC[C@@H]([NH3+])C(C)C ZINC000663501915 431445603 /nfs/dbraw/zinc/44/56/03/431445603.db2.gz CAZXISPJDARKHA-QGZVFWFLSA-N 2 0 304.413 2.783 20 0 DFADRP CC[C@@H]1CN(C(=O)[C@@H](c2ccccc2)[NH+](CC)CC)CC[C@H]1[NH3+] ZINC000647012696 431446248 /nfs/dbraw/zinc/44/62/48/431446248.db2.gz YNYJAIROIXBWDD-KBAYOESNSA-N 2 0 317.477 2.655 20 0 DFADRP C[NH2+]CCCC(=O)N1CCC([NH2+]CCCC2CCCCC2)CC1 ZINC000663504851 431447429 /nfs/dbraw/zinc/44/74/29/431447429.db2.gz ARRPJPNVPVVVIW-UHFFFAOYSA-N 2 0 323.525 2.927 20 0 DFADRP C[NH2+]CCCC(=O)N1CCC([NH2+][C@@H]2CCCC[C@H]2C2CC2)CC1 ZINC000663506143 431448016 /nfs/dbraw/zinc/44/80/16/431448016.db2.gz QOLWAXWYACHFOE-ZWKOTPCHSA-N 2 0 321.509 2.535 20 0 DFADRP CCCC[C@H]1CCC[C@@H]1[NH2+]C1CCN(C(=O)CCC[NH2+]C)CC1 ZINC000663506064 431449552 /nfs/dbraw/zinc/44/95/52/431449552.db2.gz OWJFORGECQCIKA-WMZOPIPTSA-N 2 0 323.525 2.926 20 0 DFADRP CC[NH+](CC)Cc1ccc(C(=O)NC[C@H]2CC[C@H](C[NH3+])CC2)o1 ZINC000647046723 431451434 /nfs/dbraw/zinc/45/14/34/431451434.db2.gz FVIHJPZAYHDKSH-SHTZXODSSA-N 2 0 321.465 2.616 20 0 DFADRP Fc1cccc(CC[N@@H+]2CCC[C@@H](N3CCOCC3)CC2)c1F ZINC000660478283 431451826 /nfs/dbraw/zinc/45/18/26/431451826.db2.gz LIJIJHGYDUQVHH-MRXNPFEDSA-N 2 0 324.415 2.694 20 0 DFADRP COc1cccc(-c2n[nH]cc2C[N@@H+]2CC[C@H](C)[C@@H](C[NH3+])C2)c1 ZINC000667039019 431454903 /nfs/dbraw/zinc/45/49/03/431454903.db2.gz GDZXQOQYFNFLOR-ZFWWWQNUSA-N 2 0 314.433 2.502 20 0 DFADRP CCc1ccccc1[C@@H]([NH3+])CNC(=O)CC[C@@H]1CCCC[N@@H+]1C ZINC000647084392 431456029 /nfs/dbraw/zinc/45/60/29/431456029.db2.gz WPVZNUQWDGXZGG-WMZOPIPTSA-N 2 0 317.477 2.630 20 0 DFADRP C[NH+](C)Cc1ccc(-c2noc([C@@H]3CCC[C@H]3C[NH3+])n2)cc1 ZINC000647121382 431466319 /nfs/dbraw/zinc/46/63/19/431466319.db2.gz WTHMLROTMGBIIL-LSDHHAIUSA-N 2 0 300.406 2.641 20 0 DFADRP CC(C)C[C@@H]([NH3+])c1noc(-c2cccn2C2CC[NH2+]CC2)n1 ZINC000647129866 431469344 /nfs/dbraw/zinc/46/93/44/431469344.db2.gz GYHIECMAHXYLFY-CYBMUJFWSA-N 2 0 303.410 2.509 20 0 DFADRP CC(C)[C@@H](C)[NH+]1CCN([C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000660536217 431479530 /nfs/dbraw/zinc/47/95/30/431479530.db2.gz FNDRTWTWPVGMIF-QUCCMNQESA-N 2 0 315.505 2.923 20 0 DFADRP CO[C@H]1C[C@H]2C[C@@H]([NH2+]C[C@H]3CCC[N@H+](CC4CC4)C3)C[C@H]2C1 ZINC000663463649 431428842 /nfs/dbraw/zinc/42/88/42/431428842.db2.gz AQPBKDOSYUZHBZ-FQBWVUSXSA-N 2 0 306.494 2.902 20 0 DFADRP FCCOCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000663463281 431429190 /nfs/dbraw/zinc/42/91/90/431429190.db2.gz ZDCLKNHOVDOBIA-AYHJJNSGSA-N 2 0 306.425 2.758 20 0 DFADRP COc1ccc(C[C@@H](C)[NH2+]C[C@@H]2CCC[N@H+](CC3CC3)C2)cn1 ZINC000663465978 431432547 /nfs/dbraw/zinc/43/25/47/431432547.db2.gz MMKMZCRNDAQIEQ-QAPCUYQASA-N 2 0 317.477 2.733 20 0 DFADRP C[C@H]([NH2+]C[C@H]1CCC[N@H+](CC2CC2)C1)c1cccc(CO)c1 ZINC000663471818 431436507 /nfs/dbraw/zinc/43/65/07/431436507.db2.gz YMWJHGYVRQEWOX-MAUKXSAKSA-N 2 0 302.462 2.952 20 0 DFADRP C(c1nc2c(s1)CCC2)[N@@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000656783878 431518983 /nfs/dbraw/zinc/51/89/83/431518983.db2.gz VRTRJIXHHWVAIE-CQSZACIVSA-N 2 0 305.491 2.843 20 0 DFADRP CC(C)(C)n1cc(C[NH+]2CCC([C@@H]3CCC[NH2+]C3)CC2)cn1 ZINC000656785217 431521841 /nfs/dbraw/zinc/52/18/41/431521841.db2.gz KRRLQRRGUCDZAH-QGZVFWFLSA-N 2 0 304.482 2.850 20 0 DFADRP Clc1ccccc1N1CC[C@@H](C[NH2+]C[C@H]2CCC[NH2+]C2)C1 ZINC000656787880 431522187 /nfs/dbraw/zinc/52/21/87/431522187.db2.gz YCMBFABKTCGLOG-GJZGRUSLSA-N 2 0 307.869 2.756 20 0 DFADRP COc1cccc(C[N@@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)c1OC ZINC000656785940 431522956 /nfs/dbraw/zinc/52/29/56/431522956.db2.gz NOFNCOFQLYZXQC-INIZCTEOSA-N 2 0 318.461 2.915 20 0 DFADRP CC(=O)Nc1ccc(C[N@@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)cc1 ZINC000656786442 431523674 /nfs/dbraw/zinc/52/36/74/431523674.db2.gz SQCODFOYNLFPPR-GOSISDBHSA-N 2 0 315.461 2.857 20 0 DFADRP CC(C)[N@H+](C)C[C@H](O)CN1CC[C@H](c2cccc(Cl)c2)C1 ZINC000660632482 431524095 /nfs/dbraw/zinc/52/40/95/431524095.db2.gz OORMIFJMQNMAKF-RDJZCZTQSA-N 2 0 310.869 2.830 20 0 DFADRP CC[N@H+](C)C[C@@H](O)CN1CCc2ccc(Cl)cc2[C@@H](C)C1 ZINC000653779009 431524651 /nfs/dbraw/zinc/52/46/51/431524651.db2.gz VUIYUQXGVMBUBQ-XJKSGUPXSA-N 2 0 310.869 2.614 20 0 DFADRP CO[C@H]1CCC[C@@H]([NH2+]C[C@@H]2C[N@H+](C)C[C@H]2c2ccccc2)C1 ZINC000647249409 431528322 /nfs/dbraw/zinc/52/83/22/431528322.db2.gz YETYQLJDSFKFRX-YRXWBPOGSA-N 2 0 302.462 2.879 20 0 DFADRP Cc1nccn1CCCNc1nc(C)nc(C)c1Br ZINC000663657969 431489985 /nfs/dbraw/zinc/48/99/85/431489985.db2.gz ILRKJPWZMYUUGT-UHFFFAOYSA-N 2 0 324.226 2.863 20 0 DFADRP CC[C@H](c1ccccc1OC)N(C)C[C@@H](O)C[N@H+](C)C(C)C ZINC000660559251 431490724 /nfs/dbraw/zinc/49/07/24/431490724.db2.gz VLIBUOVYKVBQCL-DOTOQJQBSA-N 2 0 308.466 2.779 20 0 DFADRP C[C@@H]1C[C@@H](C)C[NH+](CCN2CC[N@@H+](C3CCC3)C[C@@H](C)C2)C1 ZINC000660613573 431514181 /nfs/dbraw/zinc/51/41/81/431514181.db2.gz OVXGWLUWNHLCAM-KURKYZTESA-N 2 0 307.526 2.771 20 0 DFADRP CC[N@@H+]1CC[C@H]([NH2+][C@@H]2CCO[C@@H](c3cccnc3)C2)[C@@H](C)C1 ZINC000647339159 431556280 /nfs/dbraw/zinc/55/62/80/431556280.db2.gz JYXCCCKZMFLKLZ-XOYOTBSWSA-N 2 0 303.450 2.622 20 0 DFADRP O[C@H]1CC[N@H+](Cc2ccccc2CNc2[nH+]ccc3[nH]ccc32)C1 ZINC000663787259 431539320 /nfs/dbraw/zinc/53/93/20/431539320.db2.gz GPXZXWICNRSXNE-INIZCTEOSA-N 2 0 322.412 2.742 20 0 DFADRP C[NH+]1CCN(c2cc[nH+]cc2NC2CCC(F)(F)CC2)CC1 ZINC000647297700 431543001 /nfs/dbraw/zinc/54/30/01/431543001.db2.gz XUGVAFSUHXLTRY-UHFFFAOYSA-N 2 0 310.392 2.823 20 0 DFADRP O[C@@H]1CCC[C@H](C[NH+]2CCC([NH2+]Cc3ccccc3)CC2)C1 ZINC000660675263 431545496 /nfs/dbraw/zinc/54/54/96/431545496.db2.gz HAXWWUYPYMKGDH-PKOBYXMFSA-N 2 0 302.462 2.792 20 0 DFADRP Cc1cccc2nc(CC[NH2+][C@@H](C)C3CC[NH+](C)CC3)cn21 ZINC000647364861 431564914 /nfs/dbraw/zinc/56/49/14/431564914.db2.gz PHRYEOUGFWVVCO-HNNXBMFYSA-N 2 0 300.450 2.505 20 0 DFADRP C[C@]1(C[N@@H+]2CCC[C@@H](c3nc(C(F)(F)F)c[nH]3)C2)CC[NH2+]C1 ZINC000262064544 280154756 /nfs/dbraw/zinc/15/47/56/280154756.db2.gz RMCNLROOCBRXPG-RISCZKNCSA-N 2 0 316.371 2.608 20 0 DFADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NCC1([NH+](C)C)CCC1 ZINC000275685228 288217520 /nfs/dbraw/zinc/21/75/20/288217520.db2.gz IQTQWEOXYQMIFF-MJGOQNOKSA-N 2 0 315.505 2.971 20 0 DFADRP CC[C@H]1C[N@H+](Cc2c[nH]nc2-c2ccc(OC)cc2)CC[C@@H]1[NH3+] ZINC000647498189 431605109 /nfs/dbraw/zinc/60/51/09/431605109.db2.gz CGSDJXCXXIPJTD-GUYCJALGSA-N 2 0 314.433 2.645 20 0 DFADRP Cc1cc(F)ccc1[C@@H]1CCCN1C[C@H](O)C[N@@H+](C)C(C)C ZINC000660753639 431580270 /nfs/dbraw/zinc/58/02/70/431580270.db2.gz KGUSXVFPPUBSGB-AEFFLSMTSA-N 2 0 308.441 2.972 20 0 DFADRP C[C@H]1CCCC[N@@H+]1CCCNCc1ccnn1-c1cc[nH+]cc1 ZINC000657293474 431650670 /nfs/dbraw/zinc/65/06/70/431650670.db2.gz NVUPBYKHTGFTQF-INIZCTEOSA-N 2 0 313.449 2.621 20 0 DFADRP [NH3+][C@@H]1CCO[C@H]([C@H]2CCC[N@H+](Cc3cnc(C4CC4)s3)C2)C1 ZINC000650707583 431652489 /nfs/dbraw/zinc/65/24/89/431652489.db2.gz IZGYNUHTKWAQHT-LZWOXQAQSA-N 2 0 321.490 2.739 20 0 DFADRP COc1cccc(C[N@@H+]2CCC[C@H]([C@@H]3C[C@H]([NH3+])CCO3)C2)c1F ZINC000650707847 431653449 /nfs/dbraw/zinc/65/34/49/431653449.db2.gz ODOJOJIOAXBQSN-LXZKKBNFSA-N 2 0 322.424 2.553 20 0 DFADRP CCOc1ccccc1C[N@@H+]1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000650705343 431653663 /nfs/dbraw/zinc/65/36/63/431653663.db2.gz FAMTZQJDZUXREV-JENIJYKNSA-N 2 0 318.461 2.804 20 0 DFADRP [NH3+][C@@H]1CCO[C@H]([C@H]2CCC[N@H+](Cc3cc(F)cc(F)c3)C2)C1 ZINC000650707402 431653738 /nfs/dbraw/zinc/65/37/38/431653738.db2.gz FEJZDPRBCLSXFG-XKQJLSEDSA-N 2 0 310.388 2.683 20 0 DFADRP [NH3+][C@@H]1CCO[C@H]([C@H]2CCC[N@H+](Cc3ccc(F)cc3F)C2)C1 ZINC000650705681 431654007 /nfs/dbraw/zinc/65/40/07/431654007.db2.gz QPWDKBOEFOXBEQ-LXZKKBNFSA-N 2 0 310.388 2.683 20 0 DFADRP COc1ccc(C[N@@H+]2CCC[C@H]([C@@H]3C[C@H]([NH3+])CCO3)C2)cc1C ZINC000650705227 431654388 /nfs/dbraw/zinc/65/43/88/431654388.db2.gz ABFMFKBZSVBVAE-SCTDSRPQSA-N 2 0 318.461 2.722 20 0 DFADRP COc1ccc(C[N@@H+]2CCC[C@H]([C@@H]3C[C@@H]([NH3+])CCO3)C2)cc1F ZINC000650706418 431654510 /nfs/dbraw/zinc/65/45/10/431654510.db2.gz JXZFKOHXNWXECM-MPGHIAIKSA-N 2 0 322.424 2.553 20 0 DFADRP Cc1c(Br)cncc1C[NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000657306885 431661944 /nfs/dbraw/zinc/66/19/44/431661944.db2.gz AXAHBLPIIYDEOY-LBPRGKRZSA-N 2 0 324.266 2.726 20 0 DFADRP C[C@H]1CCC[N@H+](Cc2ccc(C(=O)NC3CC3)cc2)[C@H]1CC[NH3+] ZINC000650710887 431655543 /nfs/dbraw/zinc/65/55/43/431655543.db2.gz BTQNNKCEQYCMMN-KSSFIOAISA-N 2 0 315.461 2.528 20 0 DFADRP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+]1CCC[C@H](C)[C@@H]1CC[NH3+] ZINC000650711202 431656426 /nfs/dbraw/zinc/65/64/26/431656426.db2.gz LJRNXCNGGVPNNS-KSSFIOAISA-N 3 0 313.449 2.525 20 0 DFADRP Cc1cccc(NC(=O)C[C@H](C)[NH2+]CCC2(C[NH3+])CC2)c1C ZINC000650713627 431659044 /nfs/dbraw/zinc/65/90/44/431659044.db2.gz YGWXNRGXESCXCF-AWEZNQCLSA-N 2 0 303.450 2.739 20 0 DFADRP C[C@H](CC(=O)Nc1cccc(Cl)c1)[NH2+]CCC1(C[NH3+])CC1 ZINC000650713154 431659069 /nfs/dbraw/zinc/65/90/69/431659069.db2.gz HMWLIHYCPPEJEN-GFCCVEGCSA-N 2 0 309.841 2.776 20 0 DFADRP CC[C@H](Cc1ccc(OC)c(OC)c1)[NH2+]CCC1(C[NH3+])CC1 ZINC000650713826 431659594 /nfs/dbraw/zinc/65/95/94/431659594.db2.gz DFZATSYRNAXUAX-OAHLLOKOSA-N 2 0 306.450 2.744 20 0 DFADRP C[C@@H]1CCC[N@H+](Cc2ccc3c(c2)sc(=O)n3C)[C@@H]1CC[NH3+] ZINC000650711842 431659608 /nfs/dbraw/zinc/65/96/08/431659608.db2.gz FZHOYABNYJEUIH-TZMCWYRMSA-N 2 0 319.474 2.549 20 0 DFADRP CCOc1c(Cl)cc(C[NH2+]CCC2(C[NH3+])CC2)cc1OC ZINC000650712046 431659880 /nfs/dbraw/zinc/65/98/80/431659880.db2.gz OMSVDECYWDTDAC-UHFFFAOYSA-N 2 0 312.841 2.966 20 0 DFADRP CCO[C@@H]1CN(Cc2cnc(C3CCCC3)s2)C[C@H]1C[NH3+] ZINC000650714549 431660097 /nfs/dbraw/zinc/66/00/97/431660097.db2.gz MZILYBHIKLRGGJ-UKRRQHHQSA-N 2 0 309.479 2.596 20 0 DFADRP [NH3+]CC1(CC[NH2+]Cc2ccccc2OCC(F)(F)F)CC1 ZINC000650712614 431660212 /nfs/dbraw/zinc/66/02/12/431660212.db2.gz LZWZRZHIXLCIHQ-UHFFFAOYSA-N 2 0 302.340 2.846 20 0 DFADRP Cn1c2ccccc2nc1C[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647543333 431624175 /nfs/dbraw/zinc/62/41/75/431624175.db2.gz LEKLSIAYWNMVQC-CVEARBPZSA-N 2 0 312.461 2.785 20 0 DFADRP Cc1cccc2ncc(C[N@@H+]3CCC[C@@H]([C@@H]4CCC[NH2+]C4)C3)n21 ZINC000647543102 431625012 /nfs/dbraw/zinc/62/50/12/431625012.db2.gz HRQCFMRTTCARBE-IAGOWNOFSA-N 2 0 312.461 2.854 20 0 DFADRP [NH3+]C[C@H]1C[N@H+](Cc2ccccc2C2CC2)CC12CCOCC2 ZINC000647545433 431625393 /nfs/dbraw/zinc/62/53/93/431625393.db2.gz HACJLUDKDYDHQE-KRWDZBQOSA-N 2 0 300.446 2.751 20 0 DFADRP CC(C)(C)c1n[nH]cc1C[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647543871 431626024 /nfs/dbraw/zinc/62/60/24/431626024.db2.gz TUVRTTHALCYVSD-HUUCEWRRSA-N 2 0 304.482 2.919 20 0 DFADRP COc1ccc(CCC[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)cc1OC ZINC000647550362 431627038 /nfs/dbraw/zinc/62/70/38/431627038.db2.gz NBDFZRVQGHVSKL-IXDOHACOSA-N 2 0 318.461 2.614 20 0 DFADRP CC(C)(C)CC(C)(C)[NH+]1CCC([NH2+]C[C@H]2CCCNC2=O)CC1 ZINC000657276600 431645705 /nfs/dbraw/zinc/64/57/05/431645705.db2.gz LLHZIOUMSKSTTI-OAHLLOKOSA-N 2 0 323.525 2.781 20 0 DFADRP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCCN2Cc2csc(C3CC3)n2)C1 ZINC000650722902 431666283 /nfs/dbraw/zinc/66/62/83/431666283.db2.gz DIPOYHOTCCMGLT-FVQBIDKESA-N 2 0 321.490 2.881 20 0 DFADRP Cc1cccc2[nH]c(C[NH2+]CCCC[NH+]3CCOCC3)cc21 ZINC000657313019 431670235 /nfs/dbraw/zinc/67/02/35/431670235.db2.gz PBEUPFKFXZWPTF-UHFFFAOYSA-N 2 0 301.434 2.678 20 0 DFADRP C[C@H]([NH2+]CCC1(C[NH3+])CC1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000650744493 431676108 /nfs/dbraw/zinc/67/61/08/431676108.db2.gz OLOINUGVQFDAOM-ZDUSSCGKSA-N 2 0 316.449 2.750 20 0 DFADRP Cn1ccnc1[C@H]([NH2+]CCC1(C[NH3+])CC1)c1ccc(Cl)cc1 ZINC000650748274 431677244 /nfs/dbraw/zinc/67/72/44/431677244.db2.gz QYWWMBADACQLBQ-OAHLLOKOSA-N 2 0 318.852 2.882 20 0 DFADRP Cc1c(Br)cncc1C[NH2+]C[C@@H](C)Cn1ccnc1 ZINC000657334038 431681598 /nfs/dbraw/zinc/68/15/98/431681598.db2.gz JQGQXPSUNZDURX-LLVKDONJSA-N 2 0 323.238 2.775 20 0 DFADRP C[NH2+]Cc1ccccc1C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1 ZINC000650756314 431682014 /nfs/dbraw/zinc/68/20/14/431682014.db2.gz ZIDPVPQOYODIDC-CEXWTWQISA-N 3 0 301.478 2.806 20 0 DFADRP C[C@@H](CCCC[NH3+])[NH2+]CCc1ccc2c(c1)OC(F)(F)O2 ZINC000650760786 431683030 /nfs/dbraw/zinc/68/30/30/431683030.db2.gz MALBTFGOFGMNPL-NSHDSACASA-N 2 0 300.349 2.658 20 0 DFADRP Cc1cc(N[C@H]2CC[N@@H+](C(C)(C)C)C2)nc(-c2ccncc2)n1 ZINC000664175487 431683173 /nfs/dbraw/zinc/68/31/73/431683173.db2.gz OZFAHJALVHVEBJ-HNNXBMFYSA-N 2 0 311.433 2.554 20 0 DFADRP COc1ccccc1C(C)(C)C[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000647785740 431683935 /nfs/dbraw/zinc/68/39/35/431683935.db2.gz DSCWQAHPOPXGLA-OWCLPIDISA-N 2 0 302.462 2.951 20 0 DFADRP CC[N@@H+]1CCC[C@H](C[NH2+]Cc2ccc(O[C@@H]3CCOC3)cc2)C1 ZINC000657337371 431684392 /nfs/dbraw/zinc/68/43/92/431684392.db2.gz SFIULJGGZPJSAC-IEBWSBKVSA-N 2 0 318.461 2.676 20 0 DFADRP C[C@H](CC(=O)Nc1cccc(F)c1)[NH2+]CCC1CC[NH2+]CC1 ZINC000650763956 431684606 /nfs/dbraw/zinc/68/46/06/431684606.db2.gz MWIOJCAACPGYDI-CYBMUJFWSA-N 2 0 307.413 2.522 20 0 DFADRP Cc1nc2ccccc2n1CCC[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000647785619 431684523 /nfs/dbraw/zinc/68/45/23/431684523.db2.gz CGDDFIQVJSGCGT-YESZJQIVSA-N 2 0 312.461 2.713 20 0 DFADRP Cc1nn(-c2ccccc2)c(C)c1C[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000647786127 431684619 /nfs/dbraw/zinc/68/46/19/431684619.db2.gz IQHIPVUEHROIPP-KZNAEPCWSA-N 2 0 324.472 2.967 20 0 DFADRP Fc1ccc([C@H]([NH2+]CCC2CC[NH2+]CC2)c2cnccn2)cc1 ZINC000650763341 431684970 /nfs/dbraw/zinc/68/49/70/431684970.db2.gz YBFSZXMEEPQQSF-SFHVURJKSA-N 2 0 314.408 2.684 20 0 DFADRP c1csc([C@H](C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)N2CCCC2)c1 ZINC000647786085 431685161 /nfs/dbraw/zinc/68/51/61/431685161.db2.gz HSEOIRLRDBFJDL-VQHPVUNQSA-N 2 0 319.518 2.863 20 0 DFADRP COc1cc2c(cc1OC)[C@@H]([NH2+]CCC1CC[NH2+]CC1)CC2 ZINC000650761629 431685945 /nfs/dbraw/zinc/68/59/45/431685945.db2.gz FQEKUSNITAXRCN-INIZCTEOSA-N 2 0 304.434 2.670 20 0 DFADRP C[C@H](c1ccccc1)N1CC[C@@H]([NH2+]CCC2CC[NH2+]CC2)C1 ZINC000650764221 431686266 /nfs/dbraw/zinc/68/62/66/431686266.db2.gz TYEDNANAFNPLCZ-VQIMIIECSA-N 2 0 301.478 2.801 20 0 DFADRP c1ccc([C@H](CN2CCCC2)[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000647789083 431686907 /nfs/dbraw/zinc/68/69/07/431686907.db2.gz XZSFQNIVTSITON-NMLBUPMWSA-N 2 0 313.489 2.801 20 0 DFADRP Fc1ccc2c(CC[NH2+][C@@H]3CC[C@@H]4C[NH2+]C[C@H]4C3)c[nH]c2c1 ZINC000647788523 431686990 /nfs/dbraw/zinc/68/69/90/431686990.db2.gz LEWPKQYLYDJCTN-XNRPHZJLSA-N 2 0 301.409 2.827 20 0 DFADRP CC(C)[C@H](C[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1)[NH+]1CCCCCC1 ZINC000647791296 431687122 /nfs/dbraw/zinc/68/71/22/431687122.db2.gz BOARSGWLIFVKOK-OKYOBFRVSA-N 3 0 307.526 2.865 20 0 DFADRP CCCC(=O)Nc1ccc(C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC000647790351 431687685 /nfs/dbraw/zinc/68/76/85/431687685.db2.gz WQTQJZCFMSCOHI-SOLBZPMBSA-N 2 0 315.461 2.903 20 0 DFADRP COc1ccccc1C1(C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000647788569 431687897 /nfs/dbraw/zinc/68/78/97/431687897.db2.gz MHJPNRLLMRTNCL-BZUAXINKSA-N 2 0 300.446 2.705 20 0 DFADRP Cn1c(C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)nc2cccc(Cl)c21 ZINC000647795386 431689123 /nfs/dbraw/zinc/68/91/23/431689123.db2.gz PLZBJVWSNJQSOX-FRRDWIJNSA-N 2 0 318.852 2.704 20 0 DFADRP Clc1ccc(N2CC[C@H]([NH2+][C@@H]3CC[C@H]4C[NH2+]C[C@H]4C3)C2)cc1 ZINC000647794005 431689333 /nfs/dbraw/zinc/68/93/33/431689333.db2.gz OELBYSOWRFMVKY-ABFRBSLYSA-N 2 0 319.880 2.896 20 0 DFADRP COc1ccc(C[C@H](C)C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC000647793772 431689604 /nfs/dbraw/zinc/68/96/04/431689604.db2.gz HUWHOIFFKYLEQU-XOYOTBSWSA-N 2 0 302.462 2.852 20 0 DFADRP CC[NH+]1CCC(C[NH2+]Cc2ccc(O[C@@H](C)COC)cc2)CC1 ZINC000657347000 431689732 /nfs/dbraw/zinc/68/97/32/431689732.db2.gz KVXXZCPCQDICSU-INIZCTEOSA-N 2 0 320.477 2.922 20 0 DFADRP Fc1cc(F)c(C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)c(F)c1F ZINC000647795251 431689749 /nfs/dbraw/zinc/68/97/49/431689749.db2.gz MKSPGVLSNWPRBV-IVZWLZJFSA-N 2 0 302.315 2.721 20 0 DFADRP Cn1cc(-c2ccccc2C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)cn1 ZINC000647794034 431689793 /nfs/dbraw/zinc/68/97/93/431689793.db2.gz OZSAESPPXDUCPA-QILLFSRXSA-N 2 0 310.445 2.565 20 0 DFADRP COc1ccc([C@H](OC)[C@H](C)[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000647794303 431689989 /nfs/dbraw/zinc/68/99/89/431689989.db2.gz XNRYKGYYKSWIOT-BKXFODETSA-N 2 0 318.461 2.749 20 0 DFADRP Clc1cc2c(c(C[NH2+][C@@H]3CC[C@@H]4C[NH2+]C[C@H]4C3)c1)OCC2 ZINC000647793673 431690105 /nfs/dbraw/zinc/69/01/05/431690105.db2.gz DNYXQEZNRXFGFA-XJKCOSOUSA-N 2 0 306.837 2.753 20 0 DFADRP COc1cccc([C@@H]2C[C@H]2C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)c1 ZINC000647799937 431691051 /nfs/dbraw/zinc/69/10/51/431691051.db2.gz VFBYBTLXZHFKJP-ILYVXUQDSA-N 2 0 300.446 2.776 20 0 DFADRP OCC[C@H]([NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1)c1ccc(Cl)cc1 ZINC000647796736 431691070 /nfs/dbraw/zinc/69/10/70/431691070.db2.gz LPGSVSOEGDTNTB-SRABZTEZSA-N 2 0 308.853 2.741 20 0 DFADRP c1ccc(N2CCC[C@H](C[NH2+][C@@H]3CC[C@H]4C[NH2+]C[C@@H]4C3)C2)cc1 ZINC000647797085 431691112 /nfs/dbraw/zinc/69/11/12/431691112.db2.gz XPYFSUJRWOPTEM-YDZRNGNQSA-N 2 0 313.489 2.881 20 0 DFADRP c1ccc([C@@H]2CC[C@H](C[NH2+][C@@H]3CC[C@H]4C[NH2+]C[C@@H]4C3)O2)cc1 ZINC000647797885 431691380 /nfs/dbraw/zinc/69/13/80/431691380.db2.gz GIJGWCYLDKQBMH-QTMHVTGLSA-N 2 0 300.446 2.884 20 0 DFADRP Fc1cc(C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)ccc1OC(F)F ZINC000647798942 431691829 /nfs/dbraw/zinc/69/18/29/431691829.db2.gz ZIQMBLMBKPFVOH-FRRDWIJNSA-N 2 0 314.351 2.905 20 0 DFADRP c1ccc(N2CCC[C@H](C[NH2+][C@@H]3CC[C@H]4C[NH2+]C[C@H]4C3)C2)cc1 ZINC000647797083 431692211 /nfs/dbraw/zinc/69/22/11/431692211.db2.gz XPYFSUJRWOPTEM-FCGDIQPGSA-N 2 0 313.489 2.881 20 0 DFADRP CC[C@@H]1C[C@@H]([NH2+]C[C@@H]2CC[N@H+](CCc3ccccc3)C2)CO1 ZINC000657354593 431696892 /nfs/dbraw/zinc/69/68/92/431696892.db2.gz SGDUOQUITZXMRF-IPMKNSEASA-N 2 0 302.462 2.708 20 0 DFADRP O=C(CC[N@H+](C1CC1)C1CC[NH2+]CC1)Nc1ccccc1Cl ZINC000647814269 431697140 /nfs/dbraw/zinc/69/71/40/431697140.db2.gz GQKRWKMHXPZVHU-UHFFFAOYSA-N 2 0 321.852 2.885 20 0 DFADRP COC[C@H](C)Oc1ccc(C[NH2+]C[C@H]2CCC[N@H+](C)C2)cc1 ZINC000657357828 431700660 /nfs/dbraw/zinc/70/06/60/431700660.db2.gz FKSAXEAMZWSIHR-DOTOQJQBSA-N 2 0 306.450 2.532 20 0 DFADRP C[C@@H]([NH3+])[C@@H]1CN(CCCOc2cccc(C(C)(C)C)c2)CCO1 ZINC000647863610 431710661 /nfs/dbraw/zinc/71/06/61/431710661.db2.gz GFDRQTHORHKCNG-QAPCUYQASA-N 2 0 320.477 2.801 20 0 DFADRP C[C@H]([NH3+])[C@H]1CN(CCCc2ccc(C(F)(F)F)cc2)CCO1 ZINC000647864451 431711726 /nfs/dbraw/zinc/71/17/26/431711726.db2.gz WMUYYFHMHPNEBE-SWLSCSKDSA-N 2 0 316.367 2.686 20 0 DFADRP CCO[C@@H]1C[C@H]([NH2+]C2CC[NH+](CC(C)(C)O)CC2)C12CCCC2 ZINC000647909440 431724337 /nfs/dbraw/zinc/72/43/37/431724337.db2.gz NVNIRHPOBPSEFK-DLBZAZTESA-N 2 0 324.509 2.549 20 0 DFADRP c1cc(C[NH2+][C@H]2CCOC3(CCCC3)C2)n(-c2cc[nH+]cc2)n1 ZINC000657398416 431725777 /nfs/dbraw/zinc/72/57/77/431725777.db2.gz AQBCOZPSTUFMFP-HNNXBMFYSA-N 2 0 312.417 2.849 20 0 DFADRP CC(C)(O)C[NH+]1CCC([NH2+][C@H]2CCOC3(CCCCC3)C2)CC1 ZINC000647909522 431726296 /nfs/dbraw/zinc/72/62/96/431726296.db2.gz UUKXJEKCCHKNAM-KRWDZBQOSA-N 2 0 324.509 2.693 20 0 DFADRP CN(Cc1ccn(-c2cccc(F)c2)n1)[C@@H]1CCC[NH2+]CC1 ZINC000647912822 431726987 /nfs/dbraw/zinc/72/69/87/431726987.db2.gz LPDUWEUSLUDZLY-MRXNPFEDSA-N 2 0 302.397 2.585 20 0 DFADRP CC[C@H]1C[N@H+](CCC(=O)Nc2cccc(F)c2C)CC[C@H]1[NH3+] ZINC000647936283 431736322 /nfs/dbraw/zinc/73/63/22/431736322.db2.gz AUWAIHCCACIWGY-DZGCQCFKSA-N 2 0 307.413 2.522 20 0 DFADRP [NH3+]CC[C@@H]1CCC[N@H+](Cc2ccn(-c3cccc(F)c3)n2)C1 ZINC000647951196 431744003 /nfs/dbraw/zinc/74/40/03/431744003.db2.gz DCNNGNJSFIAUIU-AWEZNQCLSA-N 2 0 302.397 2.572 20 0 DFADRP CC[NH+]1CCC(NC(=O)C[NH2+][C@@H]2CCCC23CCCCC3)CC1 ZINC000661128604 431744143 /nfs/dbraw/zinc/74/41/43/431744143.db2.gz KRQQBSDYUVICTO-QGZVFWFLSA-N 2 0 321.509 2.680 20 0 DFADRP C[N@H+](CCc1ccccc1)[C@H]1CCN(c2ncnc3[nH]ccc32)C1 ZINC000664365236 431751639 /nfs/dbraw/zinc/75/16/39/431751639.db2.gz XQGFFWNZTPGSKU-INIZCTEOSA-N 2 0 321.428 2.711 20 0 DFADRP CC(C)[NH2+]C1CC[NH+](C[C@@H]2CCCN(C(=O)C(C)(C)C)C2)CC1 ZINC000647968028 431754868 /nfs/dbraw/zinc/75/48/68/431754868.db2.gz KFCRFGCFTKFLND-INIZCTEOSA-N 2 0 323.525 2.734 20 0 DFADRP Cc1ccccc1[C@@H]1C[C@@H](C)[NH+](C[C@@H](O)C[N@@H+](C)C(C)C)C1 ZINC000647964464 431755315 /nfs/dbraw/zinc/75/53/15/431755315.db2.gz LNFBKQVMPVYPAY-KURKYZTESA-N 2 0 304.478 2.874 20 0 DFADRP CC(C)c1noc([C@H](C)[N@@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)n1 ZINC000647975795 431760983 /nfs/dbraw/zinc/76/09/83/431760983.db2.gz GAMPMTFGFZEAHY-SOUVJXGZSA-N 2 0 306.454 2.966 20 0 DFADRP C[C@H](C(=O)NC1CCCCC1)[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647976906 431761241 /nfs/dbraw/zinc/76/12/41/431761241.db2.gz VYDFFCFDQHXQQX-BRWVUGGUSA-N 2 0 321.509 2.535 20 0 DFADRP FC(F)(F)COCCC[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647978001 431762154 /nfs/dbraw/zinc/76/21/54/431762154.db2.gz KTYBLRFRNZYZGS-ZIAGYGMSSA-N 2 0 308.388 2.667 20 0 DFADRP c1cc(C[N@@H+](C[C@@H]2CC[NH2+]C2)C2CCCC2)cc2c1OCO2 ZINC000647872652 431714692 /nfs/dbraw/zinc/71/46/92/431714692.db2.gz NVMMDCDBZQUJPL-OAHLLOKOSA-N 2 0 302.418 2.769 20 0 DFADRP CC[N@H+](CCCC1CC[NH2+]CC1)C[C@H]1COc2ccccc2O1 ZINC000647872331 431714802 /nfs/dbraw/zinc/71/48/02/431714802.db2.gz XEDKEBKOPGZXNX-KRWDZBQOSA-N 2 0 318.461 2.928 20 0 DFADRP CCCCNC(=O)[C@H]1CC[C@@H](C)[N@H+](CCCC2CC[NH2+]CC2)C1 ZINC000647881623 431715332 /nfs/dbraw/zinc/71/53/32/431715332.db2.gz VRLAWSOZAWBMLD-AEFFLSMTSA-N 2 0 323.525 2.783 20 0 DFADRP C[NH2+]CCC1CC[NH+](CCOCc2ccc(OC)cc2)CC1 ZINC000647906286 431723248 /nfs/dbraw/zinc/72/32/48/431723248.db2.gz CDXQDDOOFIISBX-UHFFFAOYSA-N 2 0 306.450 2.533 20 0 DFADRP Cc1cnc(CC[NH2+]Cc2ccnn2-c2cc[nH+]cc2)c(C)c1 ZINC000657504165 431791721 /nfs/dbraw/zinc/79/17/21/431791721.db2.gz DLHYABHFQJMNTQ-UHFFFAOYSA-N 2 0 307.401 2.611 20 0 DFADRP Fc1cc(F)cc(C[NH2+]CC2CC[NH+](C3CCOCC3)CC2)c1 ZINC000657535899 431799245 /nfs/dbraw/zinc/79/92/45/431799245.db2.gz SUUSGQIKCTVENS-UHFFFAOYSA-N 2 0 324.415 2.945 20 0 DFADRP CC(C)[C@@H]1C[C@H]([NH2+]CC2CC[NH+](C3CCOCC3)CC2)CCO1 ZINC000657534635 431799914 /nfs/dbraw/zinc/79/99/14/431799914.db2.gz BMCPFEXXDNVLQU-MJGOQNOKSA-N 2 0 324.509 2.671 20 0 DFADRP Fc1ccc(F)c(C[NH2+]CC2CC[NH+](C3CCOCC3)CC2)c1 ZINC000657535147 431800767 /nfs/dbraw/zinc/80/07/67/431800767.db2.gz GQNUUYJTBDCYDY-UHFFFAOYSA-N 2 0 324.415 2.945 20 0 DFADRP C[NH+]1CCC2(CC1)C[N@H+](Cc1nccc3ccccc31)CCO2 ZINC000648071842 431809581 /nfs/dbraw/zinc/80/95/81/431809581.db2.gz WZHMETOPQHHQTQ-UHFFFAOYSA-N 2 0 311.429 2.531 20 0 DFADRP C[C@@H](CN(C)CCC[NH+](C)C)[NH2+]Cc1ccc2cnccc2c1 ZINC000657573799 431814623 /nfs/dbraw/zinc/81/46/23/431814623.db2.gz UTRNCGCUUPYTSG-INIZCTEOSA-N 2 0 314.477 2.596 20 0 DFADRP C[C@@H](CN(C)CCC[NH+](C)C)[NH2+]Cc1cc(Cl)ccc1F ZINC000657572761 431816070 /nfs/dbraw/zinc/81/60/70/431816070.db2.gz FJWITTGPHADDNI-ZDUSSCGKSA-N 2 0 315.864 2.841 20 0 DFADRP C(CC1CC[NH2+]CC1)C[N@@H+]1CCC[C@H](c2nnc(C3CC3)[nH]2)C1 ZINC000647988440 431765919 /nfs/dbraw/zinc/76/59/19/431765919.db2.gz JXNUGSVZFAPGCB-INIZCTEOSA-N 2 0 317.481 2.641 20 0 DFADRP C[C@H]([NH2+]C[C@@H]1CC[NH2+]C1)c1ccc(NC(=O)c2ccncc2)cc1 ZINC000647991941 431766673 /nfs/dbraw/zinc/76/66/73/431766673.db2.gz HLMQWMUMVVIXSX-LSDHHAIUSA-N 2 0 324.428 2.594 20 0 DFADRP Fc1ccc2c(c1)onc2C1CC[NH+](C[C@@H]2CC[NH2+]C2)CC1 ZINC000647989950 431766852 /nfs/dbraw/zinc/76/68/52/431766852.db2.gz IXASDFHPIIUZSV-GFCCVEGCSA-N 2 0 303.381 2.756 20 0 DFADRP CCC[C@@H]1CN(C[C@H]2CC[NH2+]C2)CC[N@@H+]1Cc1ccccc1 ZINC000647990904 431767858 /nfs/dbraw/zinc/76/78/58/431767858.db2.gz UDNGWFRFFJGLHN-RBUKOAKNSA-N 2 0 301.478 2.582 20 0 DFADRP CC(C)C[N@H+](C)CCCNCc1ccc(O[C@@H]2CCOC2)cc1 ZINC000657499509 431787037 /nfs/dbraw/zinc/78/70/37/431787037.db2.gz AUXNBPOZQYUQAG-LJQANCHMSA-N 2 0 320.477 2.922 20 0 DFADRP O[C@@H]1CC[N@H+](Cc2ccc(C[NH2+]C[C@@H]3CC=CCC3)cc2)C1 ZINC000657596609 431820514 /nfs/dbraw/zinc/82/05/14/431820514.db2.gz XSKMHHGLABMOLA-VQIMIIECSA-N 2 0 300.446 2.699 20 0 DFADRP O[C@H]1CC[N@H+](Cc2ccc(C[NH2+]Cc3ccccc3F)cc2)C1 ZINC000657594322 431820948 /nfs/dbraw/zinc/82/09/48/431820948.db2.gz IJVDGXNUEMLIHR-SFHVURJKSA-N 2 0 314.404 2.682 20 0 DFADRP O[C@H]1CC[N@H+](Cc2ccc(C[NH2+]C[C@@H]3CC=CCC3)cc2)C1 ZINC000657596603 431821064 /nfs/dbraw/zinc/82/10/64/431821064.db2.gz XSKMHHGLABMOLA-APWZRJJASA-N 2 0 300.446 2.699 20 0 DFADRP O[C@@H]1CC[N@H+](Cc2ccc(C[NH2+]Cc3ccsc3)cc2)C1 ZINC000657593706 431821554 /nfs/dbraw/zinc/82/15/54/431821554.db2.gz CBQKIQFLKMYJRF-QGZVFWFLSA-N 2 0 302.443 2.605 20 0 DFADRP O[C@H]1CC[N@H+](Cc2ccc(C[NH2+]Cc3ccc(F)cc3)cc2)C1 ZINC000657593495 431821714 /nfs/dbraw/zinc/82/17/14/431821714.db2.gz HZFABLDHNZCYPS-IBGZPJMESA-N 2 0 314.404 2.682 20 0 DFADRP C[N@@H+]1C[C@H]2CCN(Cc3ccc(C[NH+]4CCCCC4)cc3)[C@H]2C1 ZINC000664570519 431822373 /nfs/dbraw/zinc/82/23/73/431822373.db2.gz WQNXFAUGHNFYKY-UXHICEINSA-N 2 0 313.489 2.808 20 0 DFADRP C[C@@H]1C[C@H]([NH2+]CC2CC[NH+](Cc3ccncc3)CC2)C[C@H](C)O1 ZINC000657613483 431824692 /nfs/dbraw/zinc/82/46/92/431824692.db2.gz LASDFFZFWBFURC-MNZLEMJZSA-N 2 0 317.477 2.839 20 0 DFADRP Cc1cnccc1C[NH2+]CC1CC[NH+](Cc2ccncc2)CC1 ZINC000657613528 431825197 /nfs/dbraw/zinc/82/51/97/431825197.db2.gz MPCMAHWGZCLDEU-UHFFFAOYSA-N 2 0 310.445 2.787 20 0 DFADRP CC1CC[NH+](CCc2cccc(NC(=O)[C@H]3C[C@@H]([NH3+])C3)c2)CC1 ZINC000648165152 431829677 /nfs/dbraw/zinc/82/96/77/431829677.db2.gz KKOUMTFJWZWTNA-CALCHBBNSA-N 2 0 315.461 2.637 20 0 DFADRP Cc1cccc2c1OC[C@H]([NH2+]C1CCN(c3cc[nH+]cc3)CC1)C2 ZINC000297444329 281298553 /nfs/dbraw/zinc/29/85/53/281298553.db2.gz OOALEQUXYBGIHN-GOSISDBHSA-N 2 0 323.440 2.952 20 0 DFADRP CCn1nc(C)c([C@@H](C)[NH2+]CC2(SC)CC[NH+](C)CC2)c1C ZINC000353621605 288755979 /nfs/dbraw/zinc/75/59/79/288755979.db2.gz KPGARTAHNZPVBB-CYBMUJFWSA-N 2 0 324.538 2.998 20 0 DFADRP C[C@@H]1[C@H]([NH2+]CCN2CC[N@H+](C)C(C)(C)C2)C[C@H]1c1ccccc1 ZINC000374232553 289059700 /nfs/dbraw/zinc/05/97/00/289059700.db2.gz VXNKVGJPZMWPNY-QXAKKESOSA-N 2 0 315.505 2.794 20 0 DFADRP CCC[NH+](CCC)CCCC(=O)N1CCC[N@@H+]2CCC[C@H]2C1 ZINC000363396488 289087621 /nfs/dbraw/zinc/08/76/21/289087621.db2.gz SVNYHYUWPGWWRL-KRWDZBQOSA-N 2 0 309.498 2.585 20 0 DFADRP CC(C)(CC[NH+]1CCCCCC1)NC(=O)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000418568384 289149459 /nfs/dbraw/zinc/14/94/59/289149459.db2.gz BNVGPRYHRSLOLN-CVEARBPZSA-N 2 0 324.513 2.600 20 0 DFADRP C[C@H](C(=O)NC[C@H](C)[N@@H+]1CCCC[C@@H]1C)[NH+]1CCCCCC1 ZINC000357774838 289356619 /nfs/dbraw/zinc/35/66/19/289356619.db2.gz ZNGLYXQOMDMWHX-YESZJQIVSA-N 2 0 309.498 2.630 20 0 DFADRP CCO[C@@H](CC[NH+](C)C)C[NH2+]Cc1cc2c(cccc2F)[nH]1 ZINC000436287888 296996832 /nfs/dbraw/zinc/99/68/32/296996832.db2.gz UHEOMEZRKWHUDO-AWEZNQCLSA-N 2 0 307.413 2.753 20 0 DFADRP CC(C)CC[C@@](C)(O)C[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000436469476 297004463 /nfs/dbraw/zinc/00/44/63/297004463.db2.gz BYVZLQJSHNTHJI-GOSISDBHSA-N 2 0 305.466 2.827 20 0 DFADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CC(C)(C)OCC)[C@@H](C)C1 ZINC000437087241 297054116 /nfs/dbraw/zinc/05/41/16/297054116.db2.gz UTSQPZJZSIMVKB-JKSUJKDBSA-N 2 0 300.487 2.528 20 0 DFADRP C[C@@H]1C[NH+](CCC2CC[NH+](CC[C@@H]3CCOC3)CC2)C[C@@H](C)O1 ZINC000438114862 297080984 /nfs/dbraw/zinc/08/09/84/297080984.db2.gz PIWMBTMGLSAVLN-ZHALLVOQSA-N 2 0 324.509 2.624 20 0 DFADRP C[N@H+](CC[C@@H]1CCOC1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000438112032 297081085 /nfs/dbraw/zinc/08/10/85/297081085.db2.gz YCFXZFIMGGMXDU-RTBURBONSA-N 2 0 302.462 2.867 20 0 DFADRP C[C@@H]([NH2+]CCCC[NH+]1CCN(C)CC1)C(C)(C)c1ccccc1 ZINC000154344570 295297572 /nfs/dbraw/zinc/29/75/72/295297572.db2.gz MZDXRADRPHDVMQ-GOSISDBHSA-N 2 0 317.521 2.970 20 0 DFADRP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@@H]1CCSc2ccc(F)cc21 ZINC000154887697 295308662 /nfs/dbraw/zinc/30/86/62/295308662.db2.gz MBWBHWCYISMVNB-CZUORRHYSA-N 2 0 323.481 2.588 20 0 DFADRP CC[NH+]1CCN([C@@H](C)C[NH2+][C@@H](C)c2ccc(C)c(C)c2)CC1 ZINC000155631152 295322040 /nfs/dbraw/zinc/32/20/40/295322040.db2.gz VDCYRGKLCOJRSV-ROUUACIJSA-N 2 0 303.494 2.980 20 0 DFADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1[NH2+]CCCc1nc2ccccc2[nH]1 ZINC000156170597 295331822 /nfs/dbraw/zinc/33/18/22/295331822.db2.gz VGROUPGWICCSRB-KEYYUXOJSA-N 3 0 300.450 2.814 20 0 DFADRP C[C@@H]([NH2+]C[C@@H]1CCC[N@H+](C)C1)c1cccc(OCC[NH+](C)C)c1 ZINC000158148544 295359175 /nfs/dbraw/zinc/35/91/75/295359175.db2.gz IKPUXRWCASOTPF-SJORKVTESA-N 3 0 319.493 2.619 20 0 DFADRP C[C@@H]([NH2+]C[C@H]1CCC[N@H+](C)C1)c1cccc(OCC[NH+](C)C)c1 ZINC000158148817 295359298 /nfs/dbraw/zinc/35/92/98/295359298.db2.gz IKPUXRWCASOTPF-IAGOWNOFSA-N 3 0 319.493 2.619 20 0 DFADRP C[C@H](C[NH2+][C@H]1CCC(=O)Nc2ccc(F)cc21)C[NH+]1CCCC1 ZINC000363688581 295434571 /nfs/dbraw/zinc/43/45/71/295434571.db2.gz MUAAYDSEAAFAPL-CJNGLKHVSA-N 2 0 319.424 2.921 20 0 DFADRP CC(C)C[C@H]([NH3+])C(=O)NC1CC[NH+](C2CCC(C)CC2)CC1 ZINC000370763732 295462615 /nfs/dbraw/zinc/46/26/15/295462615.db2.gz OEZFRMJKOSEBDL-PREGVCBESA-N 2 0 309.498 2.519 20 0 DFADRP C[C@@H]([NH2+]CC1CC[NH+](Cc2ccccc2)CC1)[C@@H]1CCC[NH2+]1 ZINC000400399474 295497196 /nfs/dbraw/zinc/49/71/96/295497196.db2.gz KEEHWXMKJBUWKI-APWZRJJASA-N 3 0 301.478 2.629 20 0 DFADRP COc1ccc(OC)c([C@H](C)[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)c1 ZINC000400978181 295499370 /nfs/dbraw/zinc/49/93/70/295499370.db2.gz TUTNECTZKGNOJZ-GBJTYRQASA-N 2 0 304.434 2.743 20 0 DFADRP C[C@@H](CC[NH2+][C@H](C)[C@@H]1CCCO1)CC[NH2+][C@@H](C)[C@@H]1CCCO1 ZINC000411535538 295545238 /nfs/dbraw/zinc/54/52/38/295545238.db2.gz PRHDDBHXUITZCI-ADHGMGHFSA-N 2 0 312.498 2.717 20 0 DFADRP CCC[C@H]([NH2+]C(C)C)C(=O)Nc1ccc(C[NH+](C)C)cc1F ZINC000412560102 295634101 /nfs/dbraw/zinc/63/41/01/295634101.db2.gz PBNHEPIPAKTJRJ-INIZCTEOSA-N 2 0 309.429 2.993 20 0 DFADRP C[C@@H](CNC(=O)[C@H]1CCC[N@@H+]1C1CCCC1)[NH+]1CCC[C@@H](C)C1 ZINC000438545111 297097890 /nfs/dbraw/zinc/09/78/90/297097890.db2.gz LKVBYHFSPKBDKN-SOLBZPMBSA-N 2 0 321.509 2.630 20 0 DFADRP C[C@H](CNC(=O)[C@H]1CCC[N@@H+]1C1CCCC1)[NH+]1CCC[C@@H](C)C1 ZINC000438545108 297098078 /nfs/dbraw/zinc/09/80/78/297098078.db2.gz LKVBYHFSPKBDKN-JFIYKMOQSA-N 2 0 321.509 2.630 20 0 DFADRP CCCC[NH+]1CCC(NC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC000438565724 297098934 /nfs/dbraw/zinc/09/89/34/297098934.db2.gz FJMOQIAEFWNKSO-SFHVURJKSA-N 2 0 321.509 2.774 20 0 DFADRP C[C@H](CNC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1)C[NH+]1CCCCC1 ZINC000438568773 297099061 /nfs/dbraw/zinc/09/90/61/297099061.db2.gz QQOGSRDWWUAFDA-AEFFLSMTSA-N 2 0 321.509 2.632 20 0 DFADRP CC(C)[NH+](CCNC(=O)[C@H]1CCC[N@@H+]1C1CCCC1)C(C)C ZINC000438568023 297099252 /nfs/dbraw/zinc/09/92/52/297099252.db2.gz OGGNVHSAFWFJSD-QGZVFWFLSA-N 2 0 309.498 2.628 20 0 DFADRP CC[C@@H](C(=O)NC[C@@H]1CCCC[N@@H+]1CC(C)C)[NH+](CC)CC ZINC000439701297 297135655 /nfs/dbraw/zinc/13/56/55/297135655.db2.gz JKOQOQRBADGZOZ-IRXDYDNUSA-N 2 0 311.514 2.734 20 0 DFADRP C[C@@H]1CCCC[C@@H]1OCC[N@@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@H]21 ZINC000441245800 297177124 /nfs/dbraw/zinc/17/71/24/297177124.db2.gz NJSDVYRQIFPUMW-IEWDOMPSSA-N 2 0 324.509 2.765 20 0 DFADRP C[C@@H]1C[C@H](C[NH3+])C[N@@H+]1CCOc1ccc(C(F)(F)F)cc1 ZINC000442773857 297205562 /nfs/dbraw/zinc/20/55/62/297205562.db2.gz DHEFSXWZFWDGNR-VXGBXAGGSA-N 2 0 302.340 2.753 20 0 DFADRP CCC[C@@H]([NH2+]CCN1CC[N@H+](C)C(C)(C)C1)c1ccccn1 ZINC000442876253 297209302 /nfs/dbraw/zinc/20/93/02/297209302.db2.gz PKBPMXAHVVNBEW-MRXNPFEDSA-N 2 0 304.482 2.538 20 0 DFADRP COc1ccc(OC(F)F)c(C[N@@H+]2CCC[C@@H](CC[NH3+])C2)c1 ZINC000442919364 297211035 /nfs/dbraw/zinc/21/10/35/297211035.db2.gz IQOQPELWSFPASR-LBPRGKRZSA-N 2 0 314.376 2.857 20 0 DFADRP CCc1ccc(-c2noc(C[N@@H+]3CCC[C@H](CC[NH3+])C3)n2)cc1 ZINC000443055246 297213580 /nfs/dbraw/zinc/21/35/80/297213580.db2.gz AZYKTEFSQPDAAE-OAHLLOKOSA-N 2 0 314.433 2.860 20 0 DFADRP Cc1cccc(C)c1NC(=O)[C@@H](C)[N@@H+]1CCC[C@H](CC[NH3+])C1 ZINC000443058457 297213766 /nfs/dbraw/zinc/21/37/66/297213766.db2.gz AFGGYCNMKFNOCS-HZPDHXFCSA-N 2 0 303.450 2.691 20 0 DFADRP [NH3+]CC[C@@H]1CCC[N@@H+]([C@@H]2CCN(c3ccc(Cl)cc3)C2=O)C1 ZINC000443065997 297214671 /nfs/dbraw/zinc/21/46/71/297214671.db2.gz DDAJYNJWHISNPI-XJKSGUPXSA-N 2 0 321.852 2.506 20 0 DFADRP C[C@H](c1nc(Cc2ccccc2)no1)[N@@H+]1CCC[C@H](CC[NH3+])C1 ZINC000443064930 297214756 /nfs/dbraw/zinc/21/47/56/297214756.db2.gz ZCBJPWBGJPETGH-GDBMZVCRSA-N 2 0 314.433 2.782 20 0 DFADRP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]CCN1CCc2c(Cl)cccc2C1 ZINC000443086847 297215512 /nfs/dbraw/zinc/21/55/12/297215512.db2.gz HRGILBRZYVPQPI-KDOFPFPSSA-N 2 0 321.896 2.628 20 0 DFADRP COC[C@H]([NH2+]CCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1)C1CCCC1 ZINC000446819713 297287315 /nfs/dbraw/zinc/28/73/15/297287315.db2.gz VDFBCZVRXLDULY-JZXOWHBKSA-N 2 0 312.498 2.671 20 0 DFADRP CCC[C@]1(CO)CCC[N@@H+]1Cc1cn(-c2cc[nH+]cc2)nc1C ZINC000446906806 297289822 /nfs/dbraw/zinc/28/98/22/297289822.db2.gz RQTYXVRKVQTECZ-GOSISDBHSA-N 2 0 314.433 2.703 20 0 DFADRP COC[C@H]([NH2+]C1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1)C1CCCC1 ZINC000446939177 297290737 /nfs/dbraw/zinc/29/07/37/297290737.db2.gz ZTXSKWJXSDJWKE-FHWLQOOXSA-N 2 0 324.509 2.549 20 0 DFADRP C[C@@H]1CCCC[N@@H+]1CCCNC(=O)c1sccc1C[NH+](C)C ZINC000447090357 297294980 /nfs/dbraw/zinc/29/49/80/297294980.db2.gz YDKQKRRAYZVJER-CQSZACIVSA-N 2 0 323.506 2.804 20 0 DFADRP CCCC[N@@H+]1CCCC[C@H]1CNC(=O)[C@](C)([NH3+])c1ccccc1 ZINC000447454406 297304560 /nfs/dbraw/zinc/30/45/60/297304560.db2.gz XTJHWAQRVMTHHH-PKOBYXMFSA-N 2 0 317.477 2.631 20 0 DFADRP CCC[NH+]1CCC(C[NH2+][C@@H](C)c2cc(C(=O)OC)co2)CC1 ZINC000447534836 297307231 /nfs/dbraw/zinc/30/72/31/297307231.db2.gz AIOBBUBMCQKCAO-ZDUSSCGKSA-N 2 0 308.422 2.839 20 0 DFADRP C[C@H](CC[NH+]1CCC([N@@H+](C)C[C@H](C)O)CC1)c1ccccc1 ZINC000447736637 297315299 /nfs/dbraw/zinc/31/52/99/297315299.db2.gz OANNERPSCWQLAY-SJORKVTESA-N 2 0 304.478 2.957 20 0 DFADRP CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)C[C@@H]([NH3+])c1ccccc1 ZINC000448241957 297335596 /nfs/dbraw/zinc/33/55/96/297335596.db2.gz PETLTVKEKJJKBN-QZTJIDSGSA-N 2 0 317.477 2.847 20 0 DFADRP COc1cc(C)ccc1C[N@H+](C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000449027226 297393547 /nfs/dbraw/zinc/39/35/47/297393547.db2.gz LDHKOZXZMOAYRU-INIZCTEOSA-N 2 0 320.477 2.528 20 0 DFADRP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+]C2CCC(O)CC2)CC1 ZINC000449061805 297399154 /nfs/dbraw/zinc/39/91/54/297399154.db2.gz HKDTXKHYWXFRKB-PPDQVPDSSA-N 2 0 316.489 2.975 20 0 DFADRP CC(C)(C)CC(C)(C)[NH+]1CCC([NH2+]CCn2cncn2)CC1 ZINC000449098930 297405342 /nfs/dbraw/zinc/40/53/42/297405342.db2.gz LFIDWERMVDLZCZ-UHFFFAOYSA-N 2 0 307.486 2.547 20 0 DFADRP CC1(C)CC[C@H]([NH2+]CCCN2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000449109197 297406823 /nfs/dbraw/zinc/40/68/23/297406823.db2.gz VQYWLLDSMXSIEV-KRWDZBQOSA-N 2 0 316.493 2.762 20 0 DFADRP C[NH+](C)CCOc1cc(C[NH2+][C@H]2CCCC23CCC3)ccn1 ZINC000449223478 297425441 /nfs/dbraw/zinc/42/54/41/297425441.db2.gz ODGUQLGHAXSINR-INIZCTEOSA-N 2 0 303.450 2.834 20 0 DFADRP C[C@@H](Cc1ccccc1)[NH+]1CCC([NH2+]CCC(C)(C)O)CC1 ZINC000449259860 297430709 /nfs/dbraw/zinc/43/07/09/297430709.db2.gz VJLPZQROCLUNJW-INIZCTEOSA-N 2 0 304.478 2.833 20 0 DFADRP C[NH2+][C@@H](CC(C)(C)C)C(=O)NC[C@@H](C1CCCCC1)[NH+](C)C ZINC000449322338 297445381 /nfs/dbraw/zinc/44/53/81/297445381.db2.gz XBLUSXRYNZZGHG-HOTGVXAUSA-N 2 0 311.514 2.637 20 0 DFADRP [NH3+][C@H]1CCCC[C@@H]1CC(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000449367435 297454873 /nfs/dbraw/zinc/45/48/73/297454873.db2.gz WEYOLAJTQZETRE-QAPCUYQASA-N 2 0 321.509 2.807 20 0 DFADRP Cn1c2ccc(C[NH2+]C(C)(C)CCC[NH+](C)C)cc2sc1=O ZINC000449529633 297487519 /nfs/dbraw/zinc/48/75/19/297487519.db2.gz YNVLYYQDVGTBMC-UHFFFAOYSA-N 2 0 321.490 2.810 20 0 DFADRP CC[NH+]1CCN(CC(C)(C)[NH2+]Cc2ccc3occc3c2)CC1 ZINC000449744606 297524917 /nfs/dbraw/zinc/52/49/17/297524917.db2.gz ILHHABQKUXIWDO-UHFFFAOYSA-N 2 0 315.461 2.939 20 0 DFADRP CC[NH+]1CCN(CC(C)(C)[NH2+]Cc2ccc3c(c2)CCC3)CC1 ZINC000449745139 297525169 /nfs/dbraw/zinc/52/51/69/297525169.db2.gz LKHYVCXVIRILNY-UHFFFAOYSA-N 2 0 315.505 2.681 20 0 DFADRP CC[NH+]1CCN(CC(C)(C)[NH2+]Cc2cc(C)ccc2OC)CC1 ZINC000449751275 297527359 /nfs/dbraw/zinc/52/73/59/297527359.db2.gz KLMVIWMPLPACFO-UHFFFAOYSA-N 2 0 319.493 2.509 20 0 DFADRP CC[NH+]1CCN(CC(C)(C)[NH2+]Cc2ccccc2Cl)CC1 ZINC000449753183 297527866 /nfs/dbraw/zinc/52/78/66/297527866.db2.gz OCIJHXHYBKUTDM-UHFFFAOYSA-N 2 0 309.885 2.846 20 0 DFADRP CC[NH+]1CCN(CC(C)(C)[NH2+]Cc2ccccc2SC)CC1 ZINC000451985579 297909250 /nfs/dbraw/zinc/90/92/50/297909250.db2.gz MNBYQWFCVDJRAX-UHFFFAOYSA-N 2 0 321.534 2.914 20 0 DFADRP CC[C@H](C[NH2+][C@@H](C)Cc1cnccn1)N1CCc2ccccc2C1 ZINC000453084702 298060285 /nfs/dbraw/zinc/06/02/85/298060285.db2.gz WMFQCOSGDNNTGO-OXJNMPFZSA-N 2 0 324.472 2.834 20 0 DFADRP C[C@H](CCO)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H]2CCC[C@H]21 ZINC000453108210 298062120 /nfs/dbraw/zinc/06/21/20/298062120.db2.gz JNKAHABANTXODC-LULLPPNCSA-N 2 0 302.462 2.790 20 0 DFADRP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@@H](C)c2csc(C)c2)CC1 ZINC000453111996 298062883 /nfs/dbraw/zinc/06/28/83/298062883.db2.gz SFSWPNVSAFFZAL-ZBFHGGJFSA-N 2 0 309.523 2.981 20 0 DFADRP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@@H](C2CC2)C2CCCC2)CC1 ZINC000453115230 298063228 /nfs/dbraw/zinc/06/32/28/298063228.db2.gz WUJUCRKSMNQMOL-VQIMIIECSA-N 2 0 307.526 2.818 20 0 DFADRP OC1(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@H]3CCC[C@@H]32)CCC1 ZINC000453122632 298064862 /nfs/dbraw/zinc/06/48/62/298064862.db2.gz YDLWWNQWWZYIAR-QRVBRYPASA-N 2 0 314.473 2.934 20 0 DFADRP CC[C@H]([NH2+]C1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)c1ccncc1 ZINC000453158818 298067586 /nfs/dbraw/zinc/06/75/86/298067586.db2.gz KMDPAKOHUWOBBI-KSZLIROESA-N 2 0 303.450 2.500 20 0 DFADRP CC[C@H]([NH2+]C1CC[NH+]([C@H]2CCC[C@@H]2O)CC1)c1ccncc1 ZINC000453158816 298067625 /nfs/dbraw/zinc/06/76/25/298067625.db2.gz KMDPAKOHUWOBBI-BZSNNMDCSA-N 2 0 303.450 2.500 20 0 DFADRP COc1ccc2c(c1)C[C@H]([NH2+]CC1(C[NH+](C)C)CCCC1)CO2 ZINC000453193923 298070322 /nfs/dbraw/zinc/07/03/22/298070322.db2.gz ITPCUILAMABASV-INIZCTEOSA-N 2 0 318.461 2.710 20 0 DFADRP C[N@@H+]1CC[C@H]([NH2+][C@@H]2CCO[C@H](c3cccnc3)C2)[C@H]2CCC[C@H]21 ZINC000453339400 298084657 /nfs/dbraw/zinc/08/46/57/298084657.db2.gz LWYQMTUDPTYEGO-FQBWVUSXSA-N 2 0 315.461 2.764 20 0 DFADRP C[C@@H]([NH2+]C[C@@H]1CCCC[C@H]1O)c1cccc(OCC[NH+](C)C)c1 ZINC000453339343 298085003 /nfs/dbraw/zinc/08/50/03/298085003.db2.gz BJLLOCTYMBCGHD-HHXXYDBFSA-N 2 0 320.477 2.829 20 0 DFADRP CC[C@H](O)[C@H](CC)[NH2+][C@@H](C)c1ccc(OCC[NH+](C)C)cc1 ZINC000453338876 298085043 /nfs/dbraw/zinc/08/50/43/298085043.db2.gz BFCUESIDVJUWKX-WBAXXEDZSA-N 2 0 308.466 2.827 20 0 DFADRP O[C@H]1C[C@@H]([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]3CCC[C@H]32)C1 ZINC000453356095 298086439 /nfs/dbraw/zinc/08/64/39/298086439.db2.gz HTHVCVVTQHAAJC-ZWJWXYIHSA-N 2 0 300.446 2.543 20 0 DFADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@@H]1CCC[C@H]1O ZINC000453364989 298087038 /nfs/dbraw/zinc/08/70/38/298087038.db2.gz CHFLDYRDHPIMHC-XGXHKWSGSA-N 2 0 302.462 2.648 20 0 DFADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]CC(C)(C)C(C)(C)O)[C@H](C)C1 ZINC000453381871 298088682 /nfs/dbraw/zinc/08/86/82/298088682.db2.gz XXTYZKMGGSTHDX-CVEARBPZSA-N 2 0 314.514 2.510 20 0 DFADRP C[C@H]([NH2+]CCCC[N@H+](C)C1CC1)c1ccccc1-n1ccnn1 ZINC000453408194 298091004 /nfs/dbraw/zinc/09/10/04/298091004.db2.gz SMCVNFXKQCNORO-HNNXBMFYSA-N 2 0 313.449 2.792 20 0 DFADRP C[C@H]1CN(Cc2ccccc2)C[C@@H]1[NH2+]CCCC[N@H+](C)C1CC1 ZINC000453420628 298093362 /nfs/dbraw/zinc/09/33/62/298093362.db2.gz ZREBHUVFONWHBQ-PXNSSMCTSA-N 2 0 315.505 2.971 20 0 DFADRP Cc1cc(C)c(NC(=O)N[C@H]2CC[N@@H+]3CCC[C@H]3C2)c(C)n1 ZINC000455489586 298369073 /nfs/dbraw/zinc/36/90/73/298369073.db2.gz VRPDLMKKEDPXNE-GJZGRUSLSA-N 2 0 302.422 2.755 20 0 DFADRP C[NH+](C)C1CC([NH2+][C@H]2CCC[C@@H](NC(=O)OC(C)(C)C)C2)C1 ZINC000496128070 300019245 /nfs/dbraw/zinc/01/92/45/300019245.db2.gz YSTKUNANRZQHJB-ZUJMUWTESA-N 2 0 311.470 2.505 20 0 DFADRP C[C@H](c1cccc(N2CCOC2=O)c1)[N@H+](C)C[C@@H]1CCC[NH2+]C1 ZINC000496165179 300024339 /nfs/dbraw/zinc/02/43/39/300024339.db2.gz GXXZJMCJWSNJOE-HUUCEWRRSA-N 2 0 317.433 2.636 20 0 DFADRP C[C@@H](C[NH2+][C@@H](C)[C@H]1CCCN1C(=O)OC(C)(C)C)C[NH+](C)C ZINC000496514181 300074035 /nfs/dbraw/zinc/07/40/35/300074035.db2.gz QNCQAYULRLBABF-SOUVJXGZSA-N 2 0 313.486 2.562 20 0 DFADRP C[C@@H]([NH2+]CCC1=CC[NH2+]CC1)c1cccc(N2CCOC2=O)c1 ZINC000496528759 300076072 /nfs/dbraw/zinc/07/60/72/300076072.db2.gz RMJGJRGXMGHFMS-CQSZACIVSA-N 2 0 315.417 2.604 20 0 DFADRP CC(C)[N@@H+]1CCC[C@H](C[NH2+]CCCNC(=O)OC(C)(C)C)C1 ZINC000497012123 300147157 /nfs/dbraw/zinc/14/71/57/300147157.db2.gz AEUYRKSJACSFAZ-OAHLLOKOSA-N 2 0 313.486 2.611 20 0 DFADRP C[C@@H]1C[C@@H](C[N@H+](C)CCCN(C)C(=O)OC(C)(C)C)CC[NH2+]1 ZINC000497123571 300165091 /nfs/dbraw/zinc/16/50/91/300165091.db2.gz CLFADHXBOSVXCM-CABCVRRESA-N 2 0 313.486 2.563 20 0 DFADRP CCCC[N@H+](C)CC1CCN(C(=O)[C@@H]2CCCC[C@]2(C)[NH3+])CC1 ZINC000498203413 300194335 /nfs/dbraw/zinc/19/43/35/300194335.db2.gz ZVBJTLLRFNVRCD-HKUYNNGSSA-N 2 0 323.525 2.865 20 0 DFADRP CC(C)CC[NH+]1CCC(CNC(=O)[C@@H]2CCCC[C@@]2(C)[NH3+])CC1 ZINC000498198620 300194526 /nfs/dbraw/zinc/19/45/26/300194526.db2.gz RMJDZAIAXJAGHC-PKOBYXMFSA-N 2 0 323.525 2.768 20 0 DFADRP CCc1ccc(CC[N@@H+]2CCC[C@@H](CN3CCOCC3)C2)cc1 ZINC000502893887 300218760 /nfs/dbraw/zinc/21/87/60/300218760.db2.gz SWOGYUAIJIEWIX-HXUWFJFHSA-N 2 0 316.489 2.836 20 0 DFADRP COC(=O)[C@H](C)C[N@H+](C)CC(C)(C)C[NH+](C)Cc1ccccc1 ZINC000509771670 300243377 /nfs/dbraw/zinc/24/33/77/300243377.db2.gz GZKHKGGUMUTUPD-MRXNPFEDSA-N 2 0 320.477 2.886 20 0 DFADRP C/C(=C/c1ccc(Cl)cc1)C[NH2+][C@H](C)CN1CC[NH+](C)CC1 ZINC000513531602 300258199 /nfs/dbraw/zinc/25/81/99/300258199.db2.gz IEWYILTXENGKIR-RTYFKUQISA-N 2 0 321.896 2.969 20 0 DFADRP C[C@@H]1C[C@@H]([NH3+])CC[N@@H+]1CCC(=O)Nc1cccc2ccccc21 ZINC000514612104 300262715 /nfs/dbraw/zinc/26/27/15/300262715.db2.gz JTVWEUKZQYHQEW-ZBFHGGJFSA-N 2 0 311.429 2.980 20 0 DFADRP C[C@@H]([NH2+]CC[C@H]1CCC[NH2+]1)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000515053478 300286984 /nfs/dbraw/zinc/28/69/84/300286984.db2.gz GCXVMNIZMHRXIH-TZMCWYRMSA-N 2 0 301.434 2.709 20 0 DFADRP CCc1[nH+]c2ccccc2c(N2C[C@H]3OCC[N@H+](C)[C@H]3C2)c1C ZINC000515082145 300289486 /nfs/dbraw/zinc/28/94/86/300289486.db2.gz OUCHEIIRMFOUQT-ZWKOTPCHSA-N 2 0 311.429 2.625 20 0 DFADRP Cc1ccc(C[N@H+](C)CCC[NH+](C)C)c(-c2cnn(C)c2)c1 ZINC000515093622 300289840 /nfs/dbraw/zinc/28/98/40/300289840.db2.gz OTGRKBGDZUOROY-UHFFFAOYSA-N 2 0 300.450 2.779 20 0 DFADRP C[C@H]1COCCN1C1CC[NH+](C[C@@H]2CCCCC2(F)F)CC1 ZINC000515354952 300302352 /nfs/dbraw/zinc/30/23/52/300302352.db2.gz NVJHQJUWWWHBQN-GJZGRUSLSA-N 2 0 316.436 2.997 20 0 DFADRP Cc1cc(NC[C@@H]2CCCC[N@@H+]2C2CC2)nc(-c2ccncc2)n1 ZINC000516236006 300335508 /nfs/dbraw/zinc/33/55/08/300335508.db2.gz DIQRKQBDGAVDTC-KRWDZBQOSA-N 2 0 323.444 2.698 20 0 DFADRP [NH3+][C@H](CCc1nc(C2([NH3+])CCCCC2)no1)c1ccccc1 ZINC000516866799 300364697 /nfs/dbraw/zinc/36/46/97/300364697.db2.gz QBMBSRYHHSNJEK-CQSZACIVSA-N 2 0 300.406 2.820 20 0 DFADRP CC(C)[NH+](CCCNC(=O)[C@H]([NH3+])CC1CCCCC1)C(C)C ZINC000517028494 300378519 /nfs/dbraw/zinc/37/85/19/300378519.db2.gz 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/nfs/dbraw/zinc/37/53/59/302375359.db2.gz AJXWEMJZYBXHCE-OAHLLOKOSA-N 2 0 313.449 2.970 20 0 DFADRP Cc1ncc2c(n1)CC[C@H]([NH2+][C@H](C)C[C@H]1CCCCC[NH2+]1)C2 ZINC000567641219 302375746 /nfs/dbraw/zinc/37/57/46/302375746.db2.gz OQILYIHYFRBRIX-XYPHTWIQSA-N 2 0 302.466 2.543 20 0 DFADRP O[C@@H](C[NH2+]Cc1ccccc1C[NH+]1CCCC1)Cc1ccccc1 ZINC000567679948 302378973 /nfs/dbraw/zinc/37/89/73/302378973.db2.gz JXQUIMSKNSQKCW-OAQYLSRUSA-N 2 0 324.468 2.976 20 0 DFADRP C[NH2+]CCC1CC[NH+](Cc2cnc(-c3ccccc3)nc2)CC1 ZINC000567872802 302395579 /nfs/dbraw/zinc/39/55/79/302395579.db2.gz HJVRPSFMTIYTRR-UHFFFAOYSA-N 2 0 310.445 2.965 20 0 DFADRP C[NH+](C)CC1CCC([NH2+]C[C@H](O)CCc2ccccc2)CC1 ZINC000568857800 302478458 /nfs/dbraw/zinc/47/84/58/302478458.db2.gz QGXXQGRAKXEAPG-CTWPCTMYSA-N 2 0 304.478 2.690 20 0 DFADRP COc1ccccc1OCC[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000569566735 302525821 /nfs/dbraw/zinc/52/58/21/302525821.db2.gz YVZLCXSQIWGQCJ-OAGGEKHMSA-N 2 0 304.434 2.584 20 0 DFADRP CC[NH+](CC)CCOc1ccccc1C[NH2+][C@@H]1CCCC[C@H]1O ZINC000570985057 302600499 /nfs/dbraw/zinc/60/04/99/302600499.db2.gz CLTILRVKPARROB-QZTJIDSGSA-N 2 0 320.477 2.800 20 0 DFADRP [NH3+]C1C[C@H]2CCC[C@@H](C1)C2[NH2+]Cc1ccc(Br)cn1 ZINC000571651390 302627547 /nfs/dbraw/zinc/62/75/47/302627547.db2.gz LUVMRUVZXLOJJF-JHJIOBLFSA-N 2 0 324.266 2.840 20 0 DFADRP CC[C@@H]1Oc2cc([C@H](C)[NH2+][C@@H]3CCC[C@@H]([NH3+])C3)ccc2NC1=O ZINC000572378791 302659359 /nfs/dbraw/zinc/65/93/59/302659359.db2.gz RIYJUSCRWXOIDZ-DCDXPUDHSA-N 2 0 317.433 2.717 20 0 DFADRP [NH3+]C[C@H]1CC[C@H](C[NH2+][C@H]2CCN[C@@H](c3ccccc3)C2)CC1 ZINC000573305628 302700234 /nfs/dbraw/zinc/70/02/34/302700234.db2.gz FGEHQTRSAWNHHF-PBWTXFEYSA-N 2 0 301.478 2.834 20 0 DFADRP C[C@H]([NH2+][C@H]1CCCN(c2ccccc2F)C1)[C@@H]1CCC[NH2+]C1 ZINC000573437026 302704525 /nfs/dbraw/zinc/70/45/25/302704525.db2.gz MCNMHMCBHQAVTA-XHSDSOJGSA-N 2 0 305.441 2.772 20 0 DFADRP Clc1ccc(-c2noc(CC[NH2+][C@H]3CCC[NH2+]CC3)n2)cc1 ZINC000573831133 302726420 /nfs/dbraw/zinc/72/64/20/302726420.db2.gz RZWJFRFBMXLZNT-AWEZNQCLSA-N 2 0 320.824 2.664 20 0 DFADRP CC(=O)N1CC[C@H]([NH2+]C2CCC(C[NH3+])CC2)c2ccccc21 ZINC000573952726 302732524 /nfs/dbraw/zinc/73/25/24/302732524.db2.gz OMHIHPMIAVIMGM-DQPZFDDXSA-N 2 0 301.434 2.591 20 0 DFADRP C[C@H]([NH2+]Cc1cccc(C[NH+]2CCCC2)c1)[C@@H]1CCC[NH2+]C1 ZINC000574268938 302749604 /nfs/dbraw/zinc/74/96/04/302749604.db2.gz KCTUWRYCKCERMZ-QFBILLFUSA-N 3 0 301.478 2.760 20 0 DFADRP [NH3+]CC1(CC(=O)N2CCC[C@@H]([NH+]3CCCC3)CC2)CCCCC1 ZINC000184240359 303369635 /nfs/dbraw/zinc/36/96/35/303369635.db2.gz NMSGXTVFWZKBPT-QGZVFWFLSA-N 2 0 321.509 2.763 20 0 DFADRP [NH3+]C[C@H]1CCC[C@H]1C(=O)NCC1([NH+]2CCCCC2)CCCCC1 ZINC000261990735 303425936 /nfs/dbraw/zinc/42/59/36/303425936.db2.gz RDYBFMFADHGPFI-IAGOWNOFSA-N 2 0 321.509 2.666 20 0 DFADRP COC[C@@H]([NH2+][C@@H](C)c1cccc(OCC[NH+](C)C)c1)C(C)C ZINC000165898114 315889065 /nfs/dbraw/zinc/88/90/65/315889065.db2.gz MTXVDNRCQGKNMS-MAUKXSAKSA-N 2 0 308.466 2.949 20 0 DFADRP COC[C@@H]([NH2+][C@@H](C)c1ccc(OCC[NH+](C)C)cc1)C(C)C ZINC000165877698 315889426 /nfs/dbraw/zinc/88/94/26/315889426.db2.gz XCAGOESIPSABGJ-MAUKXSAKSA-N 2 0 308.466 2.949 20 0 DFADRP C[C@H]([NH2+]Cc1ccccc1C[N@@H+]1CC[C@H](O)C1)c1ccoc1 ZINC000182269526 316093349 /nfs/dbraw/zinc/09/33/49/316093349.db2.gz UEXNWHATSNJQAC-KSSFIOAISA-N 2 0 300.402 2.697 20 0 DFADRP CC[C@@H]1CCC[C@@H](C[NH+]2CCN(CC[NH+]3CCCC3)CC2)C1 ZINC000182958145 316124128 /nfs/dbraw/zinc/12/41/28/316124128.db2.gz KGNVAFMDKOCPLG-RTBURBONSA-N 2 0 307.526 2.916 20 0 DFADRP CC[C@H]1CCC[C@H](C[NH+]2CCC(C(=O)NCC[NH+](C)C)CC2)C1 ZINC000183021871 316126866 /nfs/dbraw/zinc/12/68/66/316126866.db2.gz XLDBMEDLNSYSQZ-IRXDYDNUSA-N 2 0 323.525 2.593 20 0 DFADRP CCOC(=O)CCCC[NH2+][C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185710005 316191342 /nfs/dbraw/zinc/19/13/42/316191342.db2.gz SMIHGHZGYSKGHJ-HOTGVXAUSA-N 2 0 310.482 2.962 20 0 DFADRP C[C@H](C[NH2+][C@@H]1CC[C@@H](c2ccccc2)C1)N1CC[NH+](C)CC1 ZINC000275598405 316232592 /nfs/dbraw/zinc/23/25/92/316232592.db2.gz PNXQLCSZYCJZTA-BHIYHBOVSA-N 2 0 301.478 2.548 20 0 DFADRP CC(C)(C)OC(=O)N1CCC[C@H]([NH2+][C@H]2CCN3CCCC[C@H]23)C1 ZINC000299872973 316234994 /nfs/dbraw/zinc/23/49/94/316234994.db2.gz QFDLEYNKCROZSX-HRCADAONSA-N 2 0 323.481 2.602 20 0 DFADRP CC[NH+]1CCC(C[NH2+][C@H](C)c2ccc3c(c2)OCCO3)CC1 ZINC000314951582 316241699 /nfs/dbraw/zinc/24/16/99/316241699.db2.gz NFVAWPKAIWHIEA-CQSZACIVSA-N 2 0 304.434 2.840 20 0 DFADRP C[C@H](CC(=O)Nc1ccc(C[NH+](C)C)cc1)[C@@H]1CCC[NH2+]C1 ZINC000317302890 316248252 /nfs/dbraw/zinc/24/82/52/316248252.db2.gz XDPQJORJCXWDOM-GDBMZVCRSA-N 2 0 303.450 2.713 20 0 DFADRP Cc1ccc([C@@H](C)[NH2+]CCC[N@@H+]2CCC[C@@H](C(N)=O)C2)cc1C ZINC000346087007 316318035 /nfs/dbraw/zinc/31/80/35/316318035.db2.gz UANYKXCDKRKXKS-SJLPKXTDSA-N 2 0 317.477 2.541 20 0 DFADRP C[N@@H+]1CC[C@H](c2nc(-c3ccc(C[NH+]4CCCC4)cc3)no2)C1 ZINC000349930578 316371094 /nfs/dbraw/zinc/37/10/94/316371094.db2.gz XKQPHYGCNDTIQL-INIZCTEOSA-N 2 0 312.417 2.752 20 0 DFADRP CC(C)CC[C@H]([NH2+][C@@H](C)CN1CC[NH+](C)CC1)c1ccoc1 ZINC000353498683 316522588 /nfs/dbraw/zinc/52/25/88/316522588.db2.gz AXTLZRYUUJLILS-WMZOPIPTSA-N 2 0 307.482 2.982 20 0 DFADRP CC[C@@H]([NH2+]CCC[NH+]1CCC(C)CC1)C1(C(=O)OC)CCC1 ZINC000353532796 316535545 /nfs/dbraw/zinc/53/55/45/316535545.db2.gz CYTXYZBWZMLHAF-MRXNPFEDSA-N 2 0 310.482 2.820 20 0 DFADRP CC(C)(C)C[NH2+]Cc1ccc(C[NH+]2CCC(C(N)=O)CC2)cc1 ZINC000414555473 316627514 /nfs/dbraw/zinc/62/75/14/316627514.db2.gz MRHSLDOYFCXTSB-UHFFFAOYSA-N 2 0 317.477 2.520 20 0 DFADRP C[C@@H]1C[C@@H]([NH2+]CCCN2CC[NH2+]CC2)C[C@@H](c2ccccc2)C1 ZINC000414775861 316650323 /nfs/dbraw/zinc/65/03/23/316650323.db2.gz DNIBZXICMUQWER-YSIASYRMSA-N 2 0 315.505 2.844 20 0 DFADRP [NH3+][C@@H]1CCO[C@H]1C1CC[NH+](Cc2ccc(C3CC3)cc2)CC1 ZINC000414781977 316653974 /nfs/dbraw/zinc/65/39/74/316653974.db2.gz WPJUIRWKTIAOSV-MOPGFXCFSA-N 2 0 300.446 2.892 20 0 DFADRP [NH3+]C[C@H]1CCC[C@@H]1[NH2+]Cc1ccc(OCC(F)(F)F)cc1 ZINC000414786020 316655233 /nfs/dbraw/zinc/65/52/33/316655233.db2.gz APWIMKWASHMULO-OCCSQVGLSA-N 2 0 302.340 2.845 20 0 DFADRP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(OC[C@@H]2CCCO2)cc1 ZINC000414800865 316662695 /nfs/dbraw/zinc/66/26/95/316662695.db2.gz LMWSVINIJDFEPM-YTQUADARSA-N 2 0 318.461 2.852 20 0 DFADRP Cc1cc(C)n2c(C[NH2+]Cc3ccc([C@@H](C)[NH3+])cc3)cnc2n1 ZINC000414802545 316663156 /nfs/dbraw/zinc/66/31/56/316663156.db2.gz BVUFYRVXXGVRHC-CQSZACIVSA-N 2 0 309.417 2.656 20 0 DFADRP C[C@H]([NH3+])c1ccc(C[NH2+]C2CCN(Cc3cccnc3)CC2)cc1 ZINC000414808077 316664444 /nfs/dbraw/zinc/66/44/44/316664444.db2.gz JXCSCFNQWHCCEE-INIZCTEOSA-N 2 0 324.472 2.856 20 0 DFADRP CSc1cc2c(cc1C[NH2+][C@@H]1CCCC[C@@H]1C[NH3+])OCCO2 ZINC000414812579 316665782 /nfs/dbraw/zinc/66/57/82/316665782.db2.gz XLWXOJRLMBZCGX-TZMCWYRMSA-N 2 0 322.474 2.787 20 0 DFADRP C[C@@H]([NH3+])c1ccc(C[NH2+]C2CCN(c3ccccn3)CC2)cc1 ZINC000414812834 316666007 /nfs/dbraw/zinc/66/60/07/316666007.db2.gz SAOGIMRVHDLPIW-OAHLLOKOSA-N 2 0 310.445 2.860 20 0 DFADRP C[C@H]([NH3+])c1ccc(CNC(=O)NCC2([NH3+])CCCCCC2)cc1 ZINC000418287489 316718411 /nfs/dbraw/zinc/71/84/11/316718411.db2.gz UAPFNOZPPYIUGC-AWEZNQCLSA-N 2 0 318.465 2.557 20 0 DFADRP CCc1ccccc1[C@H]([NH3+])CNC(=O)c1ccc([C@H](C)[NH3+])cc1 ZINC000423935827 316782642 /nfs/dbraw/zinc/78/26/42/316782642.db2.gz BLXRTXDKWSJMRU-SCLBCKFNSA-N 2 0 311.429 2.699 20 0 DFADRP CCOc1ccc(NC(=O)CCC[NH+]2CCC([NH3+])CC2)c(C)c1 ZINC000433141128 316880569 /nfs/dbraw/zinc/88/05/69/316880569.db2.gz MFWXUQLBDDGVBL-UHFFFAOYSA-N 2 0 319.449 2.536 20 0 DFADRP CCN(Cc1ccccc1C)C(=O)CCC[NH+]1CCC([NH3+])CC1 ZINC000433155845 316882981 /nfs/dbraw/zinc/88/29/81/316882981.db2.gz ZLZIRXWCNBVARB-UHFFFAOYSA-N 2 0 317.477 2.547 20 0 DFADRP [NH3+]C1CC[NH+](CCCC(=O)N2CCC[C@@H]2c2cccs2)CC1 ZINC000433166370 316884721 /nfs/dbraw/zinc/88/47/21/316884721.db2.gz XLDUJJPZLUHZRX-OAHLLOKOSA-N 2 0 321.490 2.615 20 0 DFADRP COC(=O)C1(C[NH+]2CCC(CC[N@@H+]3CCCC[C@@H]3C)CC2)CC1 ZINC000450493932 317096840 /nfs/dbraw/zinc/09/68/40/317096840.db2.gz HQDDFBOQDRDTTE-INIZCTEOSA-N 2 0 322.493 2.916 20 0 DFADRP C[C@H](Cc1cnccn1)[NH2+]CC1CC[NH+](Cc2ccccc2)CC1 ZINC000453063259 317157826 /nfs/dbraw/zinc/15/78/26/317157826.db2.gz DPYSHPKOCNBCSP-QGZVFWFLSA-N 2 0 324.472 2.909 20 0 DFADRP CCC[C@@H]([NH2+]CCCN1CCC[C@@H]1C(=O)N(C)C)C(C)(C)C ZINC000453100170 317161919 /nfs/dbraw/zinc/16/19/19/317161919.db2.gz VFLMHSHMKLUYAG-HZPDHXFCSA-N 2 0 311.514 2.734 20 0 DFADRP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1cccc(-n2ccnn2)c1 ZINC000453351946 317178747 /nfs/dbraw/zinc/17/87/47/317178747.db2.gz MVONPOOWLHIBQV-LNRIEFBSSA-N 2 0 311.433 2.543 20 0 DFADRP C[C@@H](O)C[N@H+](C)C1CC[NH+](C[C@@H]2C[C@H]2c2ccccc2)CC1 ZINC000459335401 317319896 /nfs/dbraw/zinc/31/98/96/317319896.db2.gz NXBLRCMGZJDDCR-AYBZRNKSSA-N 2 0 302.462 2.567 20 0 DFADRP CCN1CC[NH+](CCCC[NH2+][C@@H]2CS[C@H](C(C)C)C2)CC1 ZINC000488430224 317392696 /nfs/dbraw/zinc/39/26/96/317392696.db2.gz JXEVPBLZTNBIIV-IRXDYDNUSA-N 2 0 313.555 2.524 20 0 DFADRP COCCC[NH+]1CCC([NH2+][C@@H]2CS[C@H](C(C)(C)C)C2)CC1 ZINC000488440752 317393321 /nfs/dbraw/zinc/39/33/21/317393321.db2.gz QGMQPHNUQSDDPW-HOTGVXAUSA-N 2 0 314.539 2.997 20 0 DFADRP C[C@@H]1C[C@@H]1C[NH2+]CCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000488448760 317394679 /nfs/dbraw/zinc/39/46/79/317394679.db2.gz NRGYHBCXSMIEMX-SJLPKXTDSA-N 2 0 302.462 2.949 20 0 DFADRP CC[NH+](CC)CCOCC[NH2+][C@H]1CS[C@@H](C(C)(C)C)C1 ZINC000488560293 317403507 /nfs/dbraw/zinc/40/35/07/317403507.db2.gz ORRPKFFSYQPRBM-HUUCEWRRSA-N 2 0 302.528 2.855 20 0 DFADRP C[NH+]1CCC(C(=O)N(CC[NH+]2CCCCCC2)C2CCC2)CC1 ZINC000488880731 317426042 /nfs/dbraw/zinc/42/60/42/317426042.db2.gz QYWPOWXTKPSHTM-UHFFFAOYSA-N 2 0 321.509 2.585 20 0 DFADRP C[C@H]1C[NH+](CCCCNc2cc[nH+]c3ccccc23)C[C@H](C)O1 ZINC000490137768 317510723 /nfs/dbraw/zinc/51/07/23/317510723.db2.gz BLSOTRRNLMXGQT-HOTGVXAUSA-N 2 0 313.445 2.958 20 0 DFADRP C([NH2+][C@@H]1CCOC[C@H]1[C@H]1CCC[NH2+]1)C(C1CCC1)C1CCC1 ZINC000530211005 317776288 /nfs/dbraw/zinc/77/62/88/317776288.db2.gz KXEWTVXJDMXKPX-IPMKNSEASA-N 2 0 306.494 2.950 20 0 DFADRP FC(F)(F)c1ncccc1C[NH+]1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000530222503 317776558 /nfs/dbraw/zinc/77/65/58/317776558.db2.gz QYWMPWQFTNCPPD-CYBMUJFWSA-N 2 0 313.367 2.922 20 0 DFADRP C[C@@H]1CCCC[C@@H]1OCC[NH+]1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000530240390 317777921 /nfs/dbraw/zinc/77/79/21/317777921.db2.gz LJBRNJPLNMWBPG-NEWSRXKRSA-N 2 0 324.509 2.672 20 0 DFADRP C(CC[NH+]1CCC(CO[C@@H]2CC[NH2+]C2)CC1)CC1CCOCC1 ZINC000530240028 317777925 /nfs/dbraw/zinc/77/79/25/317777925.db2.gz JVHYAIALMVOUED-LJQANCHMSA-N 2 0 324.509 2.674 20 0 DFADRP [NH3+][C@H]1CCCO[C@@H]1C1CC[NH+](Cc2scnc2C2CC2)CC1 ZINC000565468150 317921727 /nfs/dbraw/zinc/92/17/27/317921727.db2.gz AAPDFDXCVILIIQ-WMLDXEAASA-N 2 0 321.490 2.739 20 0 DFADRP CC[NH+]1CCC(CNC(=O)C[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC000568846474 317966171 /nfs/dbraw/zinc/96/61/71/317966171.db2.gz WMIQHYDUWLMXNB-GOSISDBHSA-N 2 0 317.477 2.528 20 0 DFADRP CC(C)C[C@@H](CNC(=O)C1([NH3+])CCC1)[NH2+][C@@H](C)c1ccccc1 ZINC000572758518 318002581 /nfs/dbraw/zinc/00/25/81/318002581.db2.gz NEBHXNMVRYXVRU-RDJZCZTQSA-N 2 0 317.477 2.750 20 0 DFADRP [NH3+][C@H]1CCC[C@@H](Nc2cccc(C[NH+]3CCSCC3)c2)C1 ZINC000573020614 318011684 /nfs/dbraw/zinc/01/16/84/318011684.db2.gz QFOFADKFNXEACE-DOTOQJQBSA-N 2 0 305.491 2.917 20 0 DFADRP CCc1ccc(C[NH2+]C2CCC(N3CC[NH2+]CC3)CC2)s1 ZINC000574620439 318028457 /nfs/dbraw/zinc/02/84/57/318028457.db2.gz KPPTWCAKGJBNNZ-UHFFFAOYSA-N 2 0 307.507 2.617 20 0 DFADRP C[C@H]1CCC[N@H+](Cc2ccc(NC(=O)CC[NH2+]C3CC3)cc2)C1 ZINC000574770961 318040009 /nfs/dbraw/zinc/04/00/09/318040009.db2.gz NCTGKNFHIPHYPY-HNNXBMFYSA-N 2 0 315.461 2.999 20 0 DFADRP C[C@@H](CCc1ccccc1)[NH+]1CCC(CO)([NH2+]CC2CC2)CC1 ZINC000575063095 318060584 /nfs/dbraw/zinc/06/05/84/318060584.db2.gz JRVHUYUQWOOWNJ-KRWDZBQOSA-N 2 0 316.489 2.834 20 0 DFADRP CC(C)[NH2+]CCC(=O)NCc1ccccc1C[N@H+](C)C(C)C ZINC000575201576 318070357 /nfs/dbraw/zinc/07/03/57/318070357.db2.gz COQPHVNPRKUUMQ-UHFFFAOYSA-N 2 0 305.466 2.531 20 0 DFADRP COc1ccc(C[C@H](C)C[NH2+][C@@H]2CCC[C@@H]([NH3+])C2)cc1OC ZINC000575761855 318081975 /nfs/dbraw/zinc/08/19/75/318081975.db2.gz FUMFHMWBJUZGFM-NUEKZKHPSA-N 2 0 306.450 2.742 20 0 DFADRP COc1sc(C[NH2+][C@@H](C)C[C@H](C)[NH3+])cc1Br ZINC000575922600 318091853 /nfs/dbraw/zinc/09/18/53/318091853.db2.gz APODTTLMVLXPHF-YUMQZZPRSA-N 2 0 307.257 2.735 20 0 DFADRP C[C@H](CC[NH+](C)C)[NH2+]C[C@@H](O)Cc1ccc(C(F)(F)F)cc1 ZINC000575917059 318091299 /nfs/dbraw/zinc/09/12/99/318091299.db2.gz HHZHFYHAUWJXQS-DOMZBBRYSA-N 2 0 318.383 2.539 20 0 DFADRP COc1sc(C[NH2+][C@@H](C)C[C@@H](C)[NH3+])cc1Br ZINC000575922599 318091800 /nfs/dbraw/zinc/09/18/00/318091800.db2.gz APODTTLMVLXPHF-SFYZADRCSA-N 2 0 307.257 2.735 20 0 DFADRP c1ccc2c(c1)[nH+]ccc2N1CC[NH+](C[C@@H]2CCCOC2)CC1 ZINC000576206163 318110887 /nfs/dbraw/zinc/11/08/87/318110887.db2.gz IVISLVHPNMLBIN-INIZCTEOSA-N 2 0 311.429 2.783 20 0 DFADRP [NH3+][C@H]1CCC[C@@H]([NH2+]CCOc2cccc(C(F)(F)F)c2)C1 ZINC000576292760 318116990 /nfs/dbraw/zinc/11/69/90/318116990.db2.gz YPJJHTAHDYSGFW-QWHCGFSZSA-N 2 0 302.340 2.944 20 0 DFADRP Cc1ncc(C[NH2+]C[C@H](C)c2nc(-c3ccccc3)no2)n1C ZINC000576411771 318124469 /nfs/dbraw/zinc/12/44/69/318124469.db2.gz SZIFUOJCNOVUKU-LBPRGKRZSA-N 2 0 311.389 2.672 20 0 DFADRP C[NH+](C)CC1(C[NH2+]C[C@@H](O)Cc2cccc(Cl)c2)CCCC1 ZINC000576578608 318135189 /nfs/dbraw/zinc/13/51/89/318135189.db2.gz IPBWEAHSVQPTKG-KRWDZBQOSA-N 2 0 324.896 2.955 20 0 DFADRP CC(C)[N@@H+]1CCCN(C(=O)C(C)(C)[C@@H]([NH3+])c2ccccc2)CC1 ZINC000576587149 318136454 /nfs/dbraw/zinc/13/64/54/318136454.db2.gz GCJFXUUFASVOSV-KRWDZBQOSA-N 2 0 317.477 2.655 20 0 DFADRP C[C@H]([NH2+][C@@H](CN1CC[NH+](C)CC1)c1ccccc1)C1CCC1 ZINC000576642088 318140213 /nfs/dbraw/zinc/14/02/13/318140213.db2.gz AAFZOWMSUNBVJY-LPHOPBHVSA-N 2 0 301.478 2.753 20 0 DFADRP CC[NH2+]CC1CC[NH+](Cc2cnc(-c3ccccc3)nc2)CC1 ZINC000576755725 318147627 /nfs/dbraw/zinc/14/76/27/318147627.db2.gz XALICAKJQNFQFX-UHFFFAOYSA-N 2 0 310.445 2.965 20 0 DFADRP Cc1cccc(NC(=O)C[C@H](C)[NH2+]CC2=CC[NH2+]CC2)c1C ZINC000576861278 318155339 /nfs/dbraw/zinc/15/53/39/318155339.db2.gz RKKUXGLPUOPVDY-AWEZNQCLSA-N 2 0 301.434 2.530 20 0 DFADRP C[C@H]([NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1)c1ccc2c(c1)CCC(=O)N2 ZINC000576935167 318160318 /nfs/dbraw/zinc/16/03/18/318160318.db2.gz ZGJIRTTVFAULFF-ULFGMLNVSA-N 2 0 313.445 2.610 20 0 DFADRP C[C@@H]([NH2+]CCc1cccc(Br)c1)[C@H]1CCC[NH2+]C1 ZINC000577161758 318174946 /nfs/dbraw/zinc/17/49/46/318174946.db2.gz QAAARFVOGVOQIQ-OCCSQVGLSA-N 2 0 311.267 2.969 20 0 DFADRP C[C@H]1CCCC[N@@H+]1CCC1CCN(C(=O)[C@@H]([NH3+])C(C)(C)C)CC1 ZINC000577283494 318183266 /nfs/dbraw/zinc/18/32/66/318183266.db2.gz ZJXCVZGBYDEPMR-DOTOQJQBSA-N 2 0 323.525 2.863 20 0 DFADRP CCc1ccc(C[N@H+](C)CCN(C)C2CC[NH+](C)CC2)s1 ZINC000577306317 318184192 /nfs/dbraw/zinc/18/41/92/318184192.db2.gz XMRYOHYQOFIHHC-UHFFFAOYSA-N 2 0 309.523 2.768 20 0 DFADRP C[N@H+](CCC[NH2+]C[C@@H](O)Cc1ccccc1)Cc1ccccc1 ZINC000577500433 318197360 /nfs/dbraw/zinc/19/73/60/318197360.db2.gz JEOQXZHVCWXDER-FQEVSTJZSA-N 2 0 312.457 2.702 20 0 DFADRP CC[NH+]1C[C@H](C)N(C(=O)C[C@@H](c2ccccc2)[NH+](C)C)[C@@H](C)C1 ZINC000577507077 318198044 /nfs/dbraw/zinc/19/80/44/318198044.db2.gz OYHLUNMIEQRTPS-BQFCYCMXSA-N 2 0 317.477 2.621 20 0 DFADRP CC[NH+]1C[C@H](C)N(C(=O)C[C@H](c2ccccc2)[NH+](C)C)[C@@H](C)C1 ZINC000577507080 318198048 /nfs/dbraw/zinc/19/80/48/318198048.db2.gz OYHLUNMIEQRTPS-XYJFISCASA-N 2 0 317.477 2.621 20 0 DFADRP CC[N@H+]1C[C@@H](C)N(C(=O)C[C@H](c2ccccc2)[NH+](C)C)[C@@H](C)C1 ZINC000577507079 318198160 /nfs/dbraw/zinc/19/81/60/318198160.db2.gz OYHLUNMIEQRTPS-SOLBZPMBSA-N 2 0 317.477 2.621 20 0 DFADRP CC(=O)Nc1cccc(CN2CCCC[C@H]2[C@H]2CCC[NH2+]2)c1 ZINC000577594951 318203775 /nfs/dbraw/zinc/20/37/75/318203775.db2.gz QWEUVMIZXNGSCW-MSOLQXFVSA-N 2 0 301.434 2.752 20 0 DFADRP O[C@@H](C[NH2+]CCCCC[NH+]1CCCCC1)Cc1ccccc1 ZINC000577860161 318222243 /nfs/dbraw/zinc/22/22/43/318222243.db2.gz QUPYCNNGCMIHQU-LJQANCHMSA-N 2 0 304.478 2.836 20 0 DFADRP OC(C[NH+]1CC[C@@H]2CCCC[C@@H]21)C[N@@H+]1CC[C@@H]2CCCC[C@@H]21 ZINC000577865114 318223295 /nfs/dbraw/zinc/22/32/95/318223295.db2.gz HRWOZJLIQDQTAT-CAMMJAKZSA-N 2 0 306.494 2.876 20 0 DFADRP C[C@@H]([NH2+]C[C@H](O)Cc1ccc2ccccc2c1)C1=CC[N@H+](C)CC1 ZINC000577948576 318227654 /nfs/dbraw/zinc/22/76/54/318227654.db2.gz NZPFGQKFTWLOIM-IIBYNOLFSA-N 2 0 324.468 2.983 20 0 DFADRP CC1(C)[C@H]([NH2+]Cc2cccc(C[NH+]3CCCCC3)c2)C[C@@H]1O ZINC000577961382 318229491 /nfs/dbraw/zinc/22/94/91/318229491.db2.gz QQLVARKVAVVQAZ-MSOLQXFVSA-N 2 0 302.462 2.922 20 0 DFADRP C[C@@H]1[C@H]([NH2+]CC2CC[NH2+]CC2)CCCN1Cc1ccccc1 ZINC000578230979 318246714 /nfs/dbraw/zinc/24/67/14/318246714.db2.gz JRKXJBUMVHJGTM-VQIMIIECSA-N 2 0 301.478 2.629 20 0 DFADRP CC[NH+](CC)CCC[C@H](C)NC(=O)[C@H]1CCCCCC[C@H]1[NH3+] ZINC000578321029 318252725 /nfs/dbraw/zinc/25/27/25/318252725.db2.gz PWBUCPRDKJLERI-YESZJQIVSA-N 2 0 311.514 2.911 20 0 DFADRP O=C(Nc1cccc(C[NH2+][C@H]2CCC[NH2+]CC2)c1)c1ccccn1 ZINC000578637802 318274847 /nfs/dbraw/zinc/27/48/47/318274847.db2.gz JWJMSWTUXPWYRH-INIZCTEOSA-N 2 0 324.428 2.566 20 0 DFADRP CC[NH+]1CCN(CCC[NH2+]Cc2ccc(C)cc2Cl)CC1 ZINC000579014830 318302578 /nfs/dbraw/zinc/30/25/78/318302578.db2.gz GDFULMIIMANVJA-UHFFFAOYSA-N 2 0 309.885 2.766 20 0 DFADRP CC(C)Oc1ccc([C@H](C[NH2+][C@H]2CCC[C@H]([NH3+])C2)N(C)C)cc1 ZINC000579258216 318318819 /nfs/dbraw/zinc/31/88/19/318318819.db2.gz GCLFOHVBAGTAAD-LNLFQRSKSA-N 2 0 319.493 2.936 20 0 DFADRP C[N@@H+]1CCC[C@@H](CNCc2cnccn2)[C@@H]1c1cccs1 ZINC000579325008 318322342 /nfs/dbraw/zinc/32/23/42/318322342.db2.gz GHAQDGDHMNIOSX-XJKSGUPXSA-N 2 0 302.447 2.711 20 0 DFADRP Cc1cc(C[NH3+])cc(NC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)c1 ZINC000579827172 318356765 /nfs/dbraw/zinc/35/67/65/318356765.db2.gz IRYIURUZXINCHK-ALOPSCKCSA-N 2 0 316.449 2.591 20 0 DFADRP COCC1(CC[NH2+][C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)CC1 ZINC000580193316 318382452 /nfs/dbraw/zinc/38/24/52/318382452.db2.gz WENJRVQYXBERJD-VQIMIIECSA-N 2 0 316.445 2.649 20 0 DFADRP C[C@H]1C[C@@H]([NH2+]CC2CC[NH2+]CC2)CCN1Cc1ccccc1 ZINC000379637921 323290838 /nfs/dbraw/zinc/29/08/38/323290838.db2.gz TUDAUJFPICWEHO-LPHOPBHVSA-N 2 0 301.478 2.629 20 0 DFADRP Cc1cc([C@H](C)[NH2+]C[C@@H](C(C)C)N2CC[NH+](C)CC2)cs1 ZINC000381619463 323294845 /nfs/dbraw/zinc/29/48/45/323294845.db2.gz RFKJSTFGHLZZRU-RDJZCZTQSA-N 2 0 309.523 2.979 20 0 DFADRP C[C@H]1CN(Cc2ccccc2)CCC[N@@H+]1CC[C@H]1CCC[NH2+]C1 ZINC000382712578 323301798 /nfs/dbraw/zinc/30/17/98/323301798.db2.gz WCERTMBLAXTLNU-RBUKOAKNSA-N 2 0 315.505 2.973 20 0 DFADRP CC[NH+](CC)Cc1cccc(NC(=O)[C@@H]2CCC[NH2+][C@H]2C)c1 ZINC000384490363 323307137 /nfs/dbraw/zinc/30/71/37/323307137.db2.gz SVJHSAIYYWNUNX-WMLDXEAASA-N 2 0 303.450 2.855 20 0 DFADRP COc1ccc(C[NH+](C)C)cc1NC(=O)C[C@H]1CCCC[C@H]1[NH3+] ZINC000391723562 323345922 /nfs/dbraw/zinc/34/59/22/323345922.db2.gz FBJGETMAVPUDMR-HUUCEWRRSA-N 2 0 319.449 2.603 20 0 DFADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC[C@H]1CCC[NH+](C)C1 ZINC000398200967 323356772 /nfs/dbraw/zinc/35/67/72/323356772.db2.gz PMVXEASPAIHDRF-RLLQIKCJSA-N 2 0 315.505 2.828 20 0 DFADRP Cc1ccc(CC[NH2+][C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)o1 ZINC000581005960 323463091 /nfs/dbraw/zinc/46/30/91/323463091.db2.gz JLEQIBUOBXHOTJ-PKOBYXMFSA-N 2 0 312.413 2.976 20 0 DFADRP CCc1ccc(C[NH2+]C(C)(C)CN2CC[NH+](CC)CC2)s1 ZINC000581171974 323484917 /nfs/dbraw/zinc/48/49/17/323484917.db2.gz ALHUREIXJMSMMI-UHFFFAOYSA-N 2 0 309.523 2.816 20 0 DFADRP Cc1n[nH]c(C)c1C[NH2+]C[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC000581654885 323554782 /nfs/dbraw/zinc/55/47/82/323554782.db2.gz YHSOUJZRDNIRSG-DOTOQJQBSA-N 2 0 316.424 2.649 20 0 DFADRP C[NH2+]Cc1ccc(NC(=O)N[C@H](C)C[NH+]2CCC(C)CC2)cc1 ZINC000583036028 323784550 /nfs/dbraw/zinc/78/45/50/323784550.db2.gz VITGEQJSCKBIAS-OAHLLOKOSA-N 2 0 318.465 2.648 20 0 DFADRP C[C@H]([NH2+][C@H]1CCCN(c2cccc(F)c2)C1)[C@H]1CCC[NH2+]C1 ZINC000583928701 323936554 /nfs/dbraw/zinc/93/65/54/323936554.db2.gz ZYHVCIMKPYRDKY-ZOBUZTSGSA-N 2 0 305.441 2.772 20 0 DFADRP C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2cc(-n3ccnc3)cs2)C1 ZINC000584378690 337232925 /nfs/dbraw/zinc/23/29/25/337232925.db2.gz UBKDAELLZZCJSH-RHSMWYFYSA-N 2 0 316.474 2.850 20 0 DFADRP c1cc2c(cc1C[N@@H+]1CCC[C@@H]1[C@H]1CCCOC1)C[NH2+]CC2 ZINC000584475161 337346236 /nfs/dbraw/zinc/34/62/36/337346236.db2.gz WELYHAHGEUPDJQ-PKOBYXMFSA-N 2 0 300.446 2.723 20 0 DFADRP Cc1cc(C[NH3+])cc(NC(=O)N2C[C@H]([NH+]3CCCC3)C[C@@H]2C)c1 ZINC000331932415 534174426 /nfs/dbraw/zinc/17/44/26/534174426.db2.gz LFQDOUYKBGKCMK-WMLDXEAASA-N 2 0 316.449 2.544 20 0 DFADRP O[C@@H]1CCCC[C@@H]1[N@@H+]1C[C@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000310006356 534410338 /nfs/dbraw/zinc/41/03/38/534410338.db2.gz HWTJIVUCXINUBC-FUMNGEBKSA-N 2 0 314.473 2.744 20 0 DFADRP CC[NH2+]Cc1cccc(NC(=O)[C@H]2C[C@@H]3CCCC[N@@H+]3C2)c1 ZINC000366353586 520003281 /nfs/dbraw/zinc/00/32/81/520003281.db2.gz JZXGXGCRTPQGAN-RDJZCZTQSA-N 2 0 301.434 2.609 20 0 DFADRP c1cc(N2CCC([NH2+]CCC[C@H]3CCCCO3)CC2)cc[nH+]1 ZINC000297619766 534469536 /nfs/dbraw/zinc/46/95/36/534469536.db2.gz LGACWRQSOVZTQE-GOSISDBHSA-N 2 0 303.450 2.989 20 0 DFADRP Cc1ccc2[nH+]ccc(N3CC[C@@H](C[NH+]4CCOCC4)C3)c2c1 ZINC000302180018 534522788 /nfs/dbraw/zinc/52/27/88/534522788.db2.gz ZAJGWADBPAWCEQ-INIZCTEOSA-N 2 0 311.429 2.702 20 0 DFADRP CC1CCC([NH+]2CCC(NC(=O)c3coc(C[NH3+])c3)CC2)CC1 ZINC000364200444 520939879 /nfs/dbraw/zinc/93/98/79/520939879.db2.gz IXJTUHYZFNMKSO-UHFFFAOYSA-N 2 0 319.449 2.511 20 0 DFADRP CCCC[C@@H]([NH3+])C(=O)NC1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000154563680 521064336 /nfs/dbraw/zinc/06/43/36/521064336.db2.gz YXVFSHFYSJLPQO-MAUKXSAKSA-N 2 0 317.477 2.846 20 0 DFADRP CCC[C@H]([NH3+])C(=O)N1CCC[C@H]([N@H+](C)Cc2ccccc2)CC1 ZINC000364983616 521108160 /nfs/dbraw/zinc/10/81/60/521108160.db2.gz RRRLOWGTTIBLFE-ROUUACIJSA-N 2 0 317.477 2.627 20 0 DFADRP CCC[C@H]([NH3+])C(=O)NC[C@H]1CC[N@H+](C)[C@@H]1c1cccc(Cl)c1 ZINC000366330348 521114976 /nfs/dbraw/zinc/11/49/76/521114976.db2.gz QTKUIVYYRNREFN-VNQPRFMTSA-N 2 0 323.868 2.576 20 0 DFADRP CCC[NH+](CCC)CCCC(=O)N1CC[C@]2(CCC[C@H]2[NH3+])C1 ZINC000364180848 521644135 /nfs/dbraw/zinc/64/41/35/521644135.db2.gz COMYCTKNYQASJG-SJLPKXTDSA-N 2 0 309.498 2.619 20 0 DFADRP CC[NH+]1CCN(CCC[NH2+][C@@H]2c3cc(F)ccc3C[C@H]2C)CC1 ZINC000154334251 521682360 /nfs/dbraw/zinc/68/23/60/521682360.db2.gz MVXIYDCZQWMUOT-BEFAXECRSA-N 2 0 319.468 2.676 20 0 DFADRP CC[N@@H+]1CC[C@H](C[NH2+][C@@H](C)c2cccc(N3CCCC3=O)c2)C1 ZINC000163269228 521717754 /nfs/dbraw/zinc/71/77/54/521717754.db2.gz SNZDXKJLJICYNC-JKSUJKDBSA-N 2 0 315.461 2.806 20 0 DFADRP CC[N@@H+]1CCc2c(cccc2NC(=O)C[NH+]2CCC(C)CC2)C1 ZINC000366338238 521723657 /nfs/dbraw/zinc/72/36/57/521723657.db2.gz NGNXYJSMHSQXSO-UHFFFAOYSA-N 2 0 315.461 2.735 20 0 DFADRP CC[C@@H](C)[C@@H]([NH3+])C(=O)N(C)C1CC[NH+](C2CCC(C)CC2)CC1 ZINC000366329616 522301244 /nfs/dbraw/zinc/30/12/44/522301244.db2.gz YUSVJDCWICSSHU-XPJGSDBHSA-N 2 0 323.525 2.861 20 0 DFADRP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)c1cccc(C[NH+](C)C)c1 ZINC000156435741 523175639 /nfs/dbraw/zinc/17/56/39/523175639.db2.gz LVOPQHFTZUGAEH-GOSISDBHSA-N 2 0 317.477 2.743 20 0 DFADRP CCc1ccc([C@H](C)[NH2+]C[C@H](C)N2CC[NH+](CC)CC2)s1 ZINC000155744649 524046600 /nfs/dbraw/zinc/04/66/00/524046600.db2.gz IFNDULTZXJPDMT-GJZGRUSLSA-N 2 0 309.523 2.987 20 0 DFADRP C[C@@H]1CCC[N@H+](CCCC[NH2+]Cc2cn(C(C)(C)C)nn2)C1 ZINC000190772424 524222480 /nfs/dbraw/zinc/22/24/80/524222480.db2.gz KRHSCTZWDZDRKA-OAHLLOKOSA-N 2 0 307.486 2.635 20 0 DFADRP C[C@@H](CN1CC[NH+](C)CC1)[NH2+][C@@H](C)c1ccc2c(c1)CCCC2 ZINC000155096210 524620328 /nfs/dbraw/zinc/62/03/28/524620328.db2.gz OMTUCHFECLKKDU-IRXDYDNUSA-N 2 0 315.505 2.852 20 0 DFADRP C[C@@H]1Cc2ccccc2[C@H]1[NH2+]CCCN1CCC[N@H+](C)CC1 ZINC000128344136 525540029 /nfs/dbraw/zinc/54/00/29/525540029.db2.gz ZADWXJSPWVYYHW-APWZRJJASA-N 2 0 301.478 2.537 20 0 DFADRP CC(C)O[C@@H]1C[C@H]([NH2+]C2CC[NH+]([C@H]3CCC[C@H]3O)CC2)C1(C)C ZINC000361235601 534912303 /nfs/dbraw/zinc/91/23/03/534912303.db2.gz CZSCCUIRQIARCP-XWTMOSNGSA-N 2 0 324.509 2.546 20 0 DFADRP c1ccc(N2CCC([NH2+]CC3CC[NH+](C4CC4)CC3)CC2)nc1 ZINC000364847117 526479650 /nfs/dbraw/zinc/47/96/50/526479650.db2.gz IYLUMAVXMFIFOO-UHFFFAOYSA-N 2 0 314.477 2.514 20 0 DFADRP CCC[N@H+](CC)Cc1ccc(C(=O)NC[C@H](C)[NH+](C)C)cc1 ZINC000299609912 528002842 /nfs/dbraw/zinc/00/28/42/528002842.db2.gz OEQURTMKVJSMOZ-HNNXBMFYSA-N 2 0 305.466 2.598 20 0 DFADRP CC(C)CNC(=[NH2+])NC[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000309764494 528030358 /nfs/dbraw/zinc/03/03/58/528030358.db2.gz YZFYKPXPLLDCMD-QGZVFWFLSA-N 2 0 302.466 2.669 20 0 DFADRP CCN(CCC[NH+](CC)CC)C(=O)[C@H]([NH3+])c1ccc(C)cc1 ZINC000318769999 528103826 /nfs/dbraw/zinc/10/38/26/528103826.db2.gz GDJNNIQCKBYSRM-QGZVFWFLSA-N 2 0 305.466 2.575 20 0 DFADRP CC(C)C[C@@H]([NH3+])CN(C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000309740200 528345792 /nfs/dbraw/zinc/34/57/92/528345792.db2.gz VPZFOLCBMPYNJY-GOSISDBHSA-N 2 0 303.494 2.956 20 0 DFADRP CCCC[NH+]1CCC(NC(=O)[C@@H]([NH3+])CC2CCCCC2)CC1 ZINC000319630230 528459052 /nfs/dbraw/zinc/45/90/52/528459052.db2.gz MEWZAVYZYKXDHB-KRWDZBQOSA-N 2 0 309.498 2.665 20 0 DFADRP CCC[NH2+][C@@H](C)C(=O)Nc1ccc2ccn(CC[NH+](C)C)c2c1 ZINC000296000829 528545544 /nfs/dbraw/zinc/54/55/44/528545544.db2.gz KVZHXVMZJCKILU-AWEZNQCLSA-N 2 0 316.449 2.530 20 0 DFADRP CC(C)[C@@](C)(O)C[NH2+][C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000309695805 528879954 /nfs/dbraw/zinc/87/99/54/528879954.db2.gz DJRABZYLXKOMDW-UHOSZYNNSA-N 2 0 304.478 2.894 20 0 DFADRP CC[NH+]1CCN([C@H](C)CNc2cc[nH+]c3ccc(C)cc23)CC1 ZINC000302152364 529152207 /nfs/dbraw/zinc/15/22/07/529152207.db2.gz LATFDUGJRSAJOJ-MRXNPFEDSA-N 2 0 312.461 2.981 20 0 DFADRP CC1(C)Cc2cc(C[N@@H+]3CCC4(C3)CC[NH2+]CC4)ccc2O1 ZINC000262006841 534945425 /nfs/dbraw/zinc/94/54/25/534945425.db2.gz LXHOTNIENQCVOX-UHFFFAOYSA-N 2 0 300.446 2.976 20 0 DFADRP CCC[N@@H+]1CC[C@H](C[NH2+][C@@H]2CCC(=O)Nc3ccc(F)cc32)C1 ZINC000361033288 534958876 /nfs/dbraw/zinc/95/88/76/534958876.db2.gz JGTQGFPNZASQIL-CZUORRHYSA-N 2 0 319.424 2.921 20 0 DFADRP CCCOc1ccc([C@@H](C)[NH2+]CC2CC[NH+](CCO)CC2)cc1 ZINC000177880941 535281632 /nfs/dbraw/zinc/28/16/32/535281632.db2.gz AXTRLBZXFYKNAE-MRXNPFEDSA-N 2 0 320.477 2.830 20 0 DFADRP CCN(CC)C(=[NH2+])NC[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000361802126 535391703 /nfs/dbraw/zinc/39/17/03/535391703.db2.gz AAKYJVHAXGIXGV-QGZVFWFLSA-N 2 0 302.466 2.765 20 0 DFADRP CC[NH+](CC)CCCCNC(=O)c1ccccc1C[NH+](C)C ZINC000362761966 535501286 /nfs/dbraw/zinc/50/12/86/535501286.db2.gz DHPOFAJLCUXYGY-UHFFFAOYSA-N 2 0 305.466 2.600 20 0 DFADRP CCOc1ccccc1[C@@H](C)[NH2+]CCCC[N@@H+]1CCC[C@H]1CO ZINC000361345150 535540232 /nfs/dbraw/zinc/54/02/32/535540232.db2.gz HPZIWGBLOYHOPK-SJORKVTESA-N 2 0 320.477 2.973 20 0 DFADRP CC[C@@H](O)CC[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000245663207 535812118 /nfs/dbraw/zinc/81/21/18/535812118.db2.gz GEZZYKZWBUGRKO-FCGDIQPGSA-N 2 0 302.462 2.933 20 0 DFADRP CCc1cccc(F)c1C[NH2+]CCCC[N@@H+]1CCC[C@H]1CO ZINC000354351103 535890990 /nfs/dbraw/zinc/89/09/90/535890990.db2.gz JOYLWKFMZIYTEJ-INIZCTEOSA-N 2 0 308.441 2.715 20 0 DFADRP C[NH+](C)CCOc1cccc(N[C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)c1 ZINC000261668948 535913848 /nfs/dbraw/zinc/91/38/48/535913848.db2.gz HAPOHUNFOXXFFV-CEXWTWQISA-N 2 0 317.477 2.960 20 0 DFADRP C[NH+](C)Cc1ccc(CN[C@@H]2CC[N@@H+]3CCC[C@H]3C2)cc1F ZINC000358248625 536010827 /nfs/dbraw/zinc/01/08/27/536010827.db2.gz MFCQEIDEISMXCV-SJORKVTESA-N 2 0 305.441 2.604 20 0 DFADRP C[NH2+][C@@H]1CCCN(CC(C)(C)C[N@H+](C)Cc2ccccc2)C1 ZINC000261927918 536361682 /nfs/dbraw/zinc/36/16/82/536361682.db2.gz CJSBADQTYFBRCH-GOSISDBHSA-N 2 0 303.494 2.828 20 0 DFADRP C[C@H](Cn1cccn1)[NH2+]C[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000681089983 545594810 /nfs/dbraw/zinc/59/48/10/545594810.db2.gz JBEBIHZYTYJUKI-MJGOQNOKSA-N 2 0 312.461 2.773 20 0 DFADRP CCCc1cccc(C[NH2+]CC(C)(C)N2CC[NH+](C)CC2)c1 ZINC000681366157 545632910 /nfs/dbraw/zinc/63/29/10/545632910.db2.gz CCLFQAMFZICUJB-UHFFFAOYSA-N 2 0 303.494 2.755 20 0 DFADRP C[C@H]([NH2+]Cc1cc(COC(C)(C)C)on1)C1CC[NH+](C)CC1 ZINC000681600384 545679073 /nfs/dbraw/zinc/67/90/73/545679073.db2.gz DLAFFTIEPFVQJZ-ZDUSSCGKSA-N 2 0 309.454 2.810 20 0 DFADRP C[NH+](C)CCOc1ccc(C[NH2+]C[C@@H]2CCC(C)(C)O2)cc1 ZINC000681700588 545702484 /nfs/dbraw/zinc/70/24/84/545702484.db2.gz ZNQUEZMHPOREEA-KRWDZBQOSA-N 2 0 306.450 2.674 20 0 DFADRP C[NH+]1CCN(C(C)(C)C[NH2+][C@H]2CC[C@H](c3ccccc3)C2)CC1 ZINC000681972188 545763052 /nfs/dbraw/zinc/76/30/52/545763052.db2.gz ULFQUIIWTVBOFN-OALUTQOASA-N 2 0 315.505 2.938 20 0 DFADRP C[C@@H]1C[N@@H+]([C@@H]2CCc3ccccc32)CC[C@H]1N1CC[NH+](C)CC1 ZINC000682071148 545788125 /nfs/dbraw/zinc/78/81/25/545788125.db2.gz HEOBNMSMPMITJO-NSISKUIASA-N 2 0 313.489 2.632 20 0 DFADRP C[N@@H+]1CCCC[C@@H]1CN1CC[NH+]([C@H]2CCc3ccccc32)CC1 ZINC000682076608 545791311 /nfs/dbraw/zinc/79/13/11/545791311.db2.gz XPDFFBOGTLNUTK-QUCCMNQESA-N 2 0 313.489 2.776 20 0 DFADRP Fc1ccc([C@H](N[C@@H]2CC[N@H+](CC3CC3)C2)c2ncc[nH]2)cc1 ZINC000682132326 545802143 /nfs/dbraw/zinc/80/21/43/545802143.db2.gz BAMBEMGMVQENTO-SJORKVTESA-N 2 0 314.408 2.712 20 0 DFADRP CC(C)n1ncc2c1C[C@H]([NH2+][C@@H](C)C1CC[NH+](C)CC1)CC2 ZINC000682912698 545940217 /nfs/dbraw/zinc/94/02/17/545940217.db2.gz UJNDFDFHUIIKDY-WMLDXEAASA-N 2 0 304.482 2.641 20 0 DFADRP CC(C)C1CC([NH2+][C@@H](CN2CC[NH+](C)CC2)c2ccccc2)C1 ZINC000683107512 545973377 /nfs/dbraw/zinc/97/33/77/545973377.db2.gz MKNCMHGWQVKNPV-MHJFOBGBSA-N 2 0 315.505 2.999 20 0 DFADRP c1c(C[NH2+]C2CC[NH+](C[C@H]3CCOC3)CC2)[nH]c2ccccc12 ZINC000683930206 546122506 /nfs/dbraw/zinc/12/25/06/546122506.db2.gz WGRCRFVMNIREAP-OAHLLOKOSA-N 2 0 313.445 2.758 20 0 DFADRP C[NH+]1CCN(CCC(C)(C)[NH2+]Cc2cc3ccccc3[nH]2)CC1 ZINC000683930386 546123006 /nfs/dbraw/zinc/12/30/06/546123006.db2.gz LBXJRXVLQUTQAB-UHFFFAOYSA-N 2 0 314.477 2.674 20 0 DFADRP C[NH+]1CCN(C[C@@H]([NH2+]C2CC(C)(C)C2)c2ccccc2)CC1 ZINC000683940370 546125390 /nfs/dbraw/zinc/12/53/90/546125390.db2.gz UCGMKGKOSVWJST-GOSISDBHSA-N 2 0 301.478 2.753 20 0 DFADRP C[NH+](C)CCOC1CC[NH+](Cc2cc3ccccc3[nH]2)CC1 ZINC000684022975 546136993 /nfs/dbraw/zinc/13/69/93/546136993.db2.gz RCFCCJZRNPTCIH-UHFFFAOYSA-N 2 0 301.434 2.711 20 0 DFADRP Cn1nccc1[C@@H]1CCC[C@H]([NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)C1 ZINC000684112692 546153536 /nfs/dbraw/zinc/15/35/36/546153536.db2.gz XQIYPHKOZVVPLW-LTIDMASMSA-N 2 0 302.466 2.663 20 0 DFADRP CO[C@]1(C)CCC[N@H+](Cc2ccc(OCC[NH+](C)C)cc2)C1 ZINC000684410908 546211929 /nfs/dbraw/zinc/21/19/29/546211929.db2.gz COWGWNVFORFLGA-GOSISDBHSA-N 2 0 306.450 2.628 20 0 DFADRP C[C@@H]1C[N@H+](Cc2ccc(OCC[NH+](C)C)cc2)C[C@@H](C2CC2)O1 ZINC000684411137 546211957 /nfs/dbraw/zinc/21/19/57/546211957.db2.gz AQEBCJPTIABBDS-BEFAXECRSA-N 2 0 318.461 2.626 20 0 DFADRP CCCC[N@H+](C)C[C@H](C)NC(=O)Nc1ccc2nccn2c1 ZINC000685079325 546326712 /nfs/dbraw/zinc/32/67/12/546326712.db2.gz FOIVIZCQWUNWQW-ZDUSSCGKSA-N 2 0 303.410 2.576 20 0 DFADRP CC(C)[C@@H](CO)C[NH2+][C@@H]1C[C@@H](C)CN(Cc2ccccc2)C1 ZINC000685448664 546351224 /nfs/dbraw/zinc/35/12/24/546351224.db2.gz IUVMERGBYGDPCQ-BHIYHBOVSA-N 2 0 304.478 2.751 20 0 DFADRP C[N@H+](C/C=C\c1ccccc1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000685457729 546353625 /nfs/dbraw/zinc/35/36/25/546353625.db2.gz KYKXHVBKDPMLRD-QKWWCAPFSA-N 2 0 313.489 2.800 20 0 DFADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]C[C@@H](O)c1cc(F)cc(Cl)c1 ZINC000278390451 214136096 /nfs/dbraw/zinc/13/60/96/214136096.db2.gz AHMGRQJJILGPTL-HOJOPBEUSA-N 2 0 314.832 2.831 20 0 DFADRP COc1cccc(C[NH2+]CC2CC[NH+](C3CC3)CC2)c1OC ZINC000278501792 214194769 /nfs/dbraw/zinc/19/47/69/214194769.db2.gz OBECXQNOIUYDEA-UHFFFAOYSA-N 2 0 304.434 2.668 20 0 DFADRP COc1ccc([C@H](C)[NH2+]CCC[N@@H+]2CCCO[C@@H](C)C2)cc1 ZINC000278626210 214284494 /nfs/dbraw/zinc/28/44/94/214284494.db2.gz RRYVIAYAOJREAW-HOTGVXAUSA-N 2 0 306.450 2.847 20 0 DFADRP c1ccc2c(c1)C[C@@H](C[NH2+]C1CCN(c3cc[nH+]cc3)CC1)O2 ZINC000322053710 231208879 /nfs/dbraw/zinc/20/88/79/231208879.db2.gz BFVKXHRDVFFARH-SFHVURJKSA-N 2 0 309.413 2.644 20 0 DFADRP Cc1nccn1[C@H]1CCC[N@@H+](CC(=O)N2[C@H](C)CCC[C@@H]2C)C1 ZINC000591904815 398347943 /nfs/dbraw/zinc/34/79/43/398347943.db2.gz AUWODOSNRSXXRO-UXLLHSPISA-N 2 0 318.465 2.618 20 0 DFADRP CCC(C)(C)NC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](n2ccnc2C)C1 ZINC000591905010 398348557 /nfs/dbraw/zinc/34/85/57/398348557.db2.gz AVUNQFIGVGWREX-UKRRQHHQSA-N 2 0 306.454 2.522 20 0 DFADRP CC(C)(C)[NH2+]CCNC(=O)c1ccc(Nc2cc[nH+]cc2)cc1 ZINC000081459703 398351470 /nfs/dbraw/zinc/35/14/70/398351470.db2.gz JNMOPSWHFKSFHF-UHFFFAOYSA-N 2 0 312.417 2.943 20 0 DFADRP CCc1c(C)[nH+]c2ccccc2c1N1CC[NH+](CCOC)CC1 ZINC000302060333 529491336 /nfs/dbraw/zinc/49/13/36/529491336.db2.gz RSTNXECNQXESPU-UHFFFAOYSA-N 2 0 313.445 2.874 20 0 DFADRP CC(C)c1nccn1Cc1cccc(NC(=O)C[NH2+]C2CC2)c1 ZINC000236828756 398364514 /nfs/dbraw/zinc/36/45/14/398364514.db2.gz XNPGRXZVCUIYFK-UHFFFAOYSA-N 2 0 312.417 2.745 20 0 DFADRP CCCC[NH+]1CCC(NC(=O)CC[C@H]([NH3+])c2ccccc2)CC1 ZINC000236757587 398364840 /nfs/dbraw/zinc/36/48/40/398364840.db2.gz JHBOQVPRWLYHRC-SFHVURJKSA-N 2 0 317.477 2.847 20 0 DFADRP Cc1[nH+]ccc(N2CC[C@H]([NH+]3CCN(C)CC3)[C@H](C)C2)c1Cl ZINC000355096500 282188272 /nfs/dbraw/zinc/18/82/72/282188272.db2.gz OLQGICQCNQWKSL-HIFRSBDPSA-N 2 0 322.884 2.506 20 0 DFADRP C[C@@H](NC(=O)CC[C@H]([NH3+])c1ccccc1)C(C)(C)C[NH+](C)C ZINC000237573345 398371873 /nfs/dbraw/zinc/37/18/73/398371873.db2.gz RYUUNEIRHFSRGD-ZBFHGGJFSA-N 2 0 305.466 2.559 20 0 DFADRP c1nc(C2CC2)ncc1CN1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000459350234 299085918 /nfs/dbraw/zinc/08/59/18/299085918.db2.gz SRBJKJWCWMAQEF-KRWDZBQOSA-N 2 0 300.450 2.804 20 0 DFADRP C[C@@H]1CCCC[N@@H+]1CCC1CC[NH+](CCc2cn[nH]c2)CC1 ZINC000459355387 299086889 /nfs/dbraw/zinc/08/68/89/299086889.db2.gz BXDBCAQTQBOPRR-MRXNPFEDSA-N 2 0 304.482 2.929 20 0 DFADRP CCO[C@@H]1C[C@H]([NH2+]C[C@@H](C(C)C)N2CCCC2)[C@@H]1SC ZINC000459359529 299087817 /nfs/dbraw/zinc/08/78/17/299087817.db2.gz CEKLXXRRXASWOE-JONQDZQNSA-N 2 0 300.512 2.605 20 0 DFADRP CCO[C@@H]1C[C@H]([NH2+]CCC[NH+](C)C)[C@H]1Sc1ccccc1 ZINC000459361174 299088983 /nfs/dbraw/zinc/08/89/83/299088983.db2.gz FZRMHHWMKQUFFG-GVDBMIGSSA-N 2 0 308.491 2.866 20 0 DFADRP Cc1cccn2c(C[NH+]3CCC(CC[NH+](C)C)CC3)cnc12 ZINC000092381201 185315005 /nfs/dbraw/zinc/31/50/05/185315005.db2.gz IXASETPNPRHQRS-UHFFFAOYSA-N 2 0 300.450 2.806 20 0 DFADRP CCO[C@@H]1C[C@H]([NH2+]C[C@H](C)N2CCC[C@H](C)C2)[C@H]1SC ZINC000459385328 299092879 /nfs/dbraw/zinc/09/28/79/299092879.db2.gz ZWQRISYINXHFSU-RFBLXINOSA-N 2 0 300.512 2.605 20 0 DFADRP CN(C)[C@H](C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1)c1cccs1 ZINC000093451394 282248793 /nfs/dbraw/zinc/24/87/93/282248793.db2.gz DXDKLNYCPGOAIY-QKPAOTATSA-N 2 0 307.507 2.861 20 0 DFADRP CCO[C@@H]1C[C@H]([NH2+]C[C@@H](C)N2CCC(C)CC2)[C@@H]1SC ZINC000459395759 299095485 /nfs/dbraw/zinc/09/54/85/299095485.db2.gz ZANYTEPAZZWXRF-QXSJWSMHSA-N 2 0 300.512 2.605 20 0 DFADRP CCC[NH+]1CCC(C[NH2+]C2CCN(c3cc[nH+]cc3)CC2)CC1 ZINC000459409049 299099250 /nfs/dbraw/zinc/09/92/50/299099250.db2.gz NTXPKOMHXNANSE-UHFFFAOYSA-N 3 0 316.493 2.762 20 0 DFADRP CCn1c2ccccc2nc1CN1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000584735648 398405555 /nfs/dbraw/zinc/40/55/55/398405555.db2.gz CFDPJFYLTOXTIT-LJQANCHMSA-N 2 0 312.461 2.974 20 0 DFADRP C[C@H](Cc1cccc(O)c1)[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000459415568 299100889 /nfs/dbraw/zinc/10/08/89/299100889.db2.gz WOBCBZYCVLIFCU-OAHLLOKOSA-N 2 0 311.429 2.977 20 0 DFADRP CC[NH+](CC)CCOc1ccc(C[NH2+]CC2CC2)cc1OC ZINC000066973586 398411785 /nfs/dbraw/zinc/41/17/85/398411785.db2.gz KDYRLAOZJGNKNX-UHFFFAOYSA-N 2 0 306.450 2.915 20 0 DFADRP C[NH+](C)Cc1cc(C[NH2+]Cc2cnc(C3CC3)nc2)ccc1F ZINC000459421441 299101937 /nfs/dbraw/zinc/10/19/37/299101937.db2.gz ZEACCUQCEJKWIL-UHFFFAOYSA-N 2 0 314.408 2.845 20 0 DFADRP CC[NH+](CC)C[C@H]1CCCC[C@@H]1NCc1cc(COC)on1 ZINC000459426522 299103002 /nfs/dbraw/zinc/10/30/02/299103002.db2.gz MYXFXOSCQAMPRC-PBHICJAKSA-N 2 0 309.454 2.811 20 0 DFADRP CC[NH+](CC)C[C@H]1CCCC[C@H]1NCc1cc(COC)on1 ZINC000459426523 299103161 /nfs/dbraw/zinc/10/31/61/299103161.db2.gz MYXFXOSCQAMPRC-RHSMWYFYSA-N 2 0 309.454 2.811 20 0 DFADRP CSc1cccc(NC(=O)[C@@H](C)[NH+]2CCC(CC[NH3+])CC2)c1 ZINC000584843139 398420808 /nfs/dbraw/zinc/42/08/08/398420808.db2.gz ICQSKXPSTCKLOF-CYBMUJFWSA-N 2 0 321.490 2.796 20 0 DFADRP COc1cc([C@H](C)[NH2+]CC2CC[NH2+]CC2)ccc1OC(F)F ZINC000584834089 398418465 /nfs/dbraw/zinc/41/84/65/398418465.db2.gz VUGWYLXSNCOGCL-NSHDSACASA-N 2 0 314.376 2.947 20 0 DFADRP CC[NH+](CC)[C@@H](C(=O)NCCC[NH+]1CCCC1)c1ccccc1 ZINC000067246041 398424685 /nfs/dbraw/zinc/42/46/85/398424685.db2.gz WRDSDJGGCFZTPW-GOSISDBHSA-N 2 0 317.477 2.672 20 0 DFADRP COC(=O)c1cc(C[N@@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)oc1C ZINC000592433600 398425109 /nfs/dbraw/zinc/42/51/09/398425109.db2.gz LIQAUTJDVSTCGJ-LSDHHAIUSA-N 2 0 320.433 2.586 20 0 DFADRP C[C@@H]([NH2+][C@@H]1CC[C@H](C(=O)OC(C)(C)C)C1)C1CC[NH+](C)CC1 ZINC000592402996 398422647 /nfs/dbraw/zinc/42/26/47/398422647.db2.gz KDVWQIRGJUCBTM-VNQPRFMTSA-N 2 0 310.482 2.817 20 0 DFADRP CC[N@H+](C)[C@H](C(=O)N(C)CC[C@H]([NH3+])C(C)C)c1ccccc1 ZINC000262608838 398432483 /nfs/dbraw/zinc/43/24/83/398432483.db2.gz UIVPSVKIPWFKQB-IRXDYDNUSA-N 2 0 305.466 2.511 20 0 DFADRP CC[C@H]1C[N@H+](Cc2ccc3oc(C(=O)OC)cc3c2)CC[C@@H]1[NH3+] ZINC000592489442 398432494 /nfs/dbraw/zinc/43/24/94/398432494.db2.gz VUGWWOJKGQKCIW-ZFWWWQNUSA-N 2 0 316.401 2.779 20 0 DFADRP c1cc(N2CCC(C[NH2+][C@@H]3CC[N@@H+]4CCC[C@@H]4C3)CC2)cc[nH+]1 ZINC000089215674 398444045 /nfs/dbraw/zinc/44/40/45/398444045.db2.gz CIFIIIGWDDLLCC-IEBWSBKVSA-N 3 0 314.477 2.514 20 0 DFADRP CCO[C@@H]1C[C@@H]([NH2+]C2CC[NH+](C3CCCC3)CC2)[C@H]1SC ZINC000459434210 299105440 /nfs/dbraw/zinc/10/54/40/299105440.db2.gz HJIGLBNMBVUZQM-BRWVUGGUSA-N 2 0 312.523 2.892 20 0 DFADRP C[C@@H]1C[C@H]([NH+]2CCCC2)CN1[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000459455702 299110884 /nfs/dbraw/zinc/11/08/84/299110884.db2.gz DEGIYJJULJTGML-RLLQIKCJSA-N 2 0 313.489 2.820 20 0 DFADRP CCO[C@@H]1C[C@H]([NH2+]C[C@H]2CCC[N@H+](CC(C)C)C2)[C@@H]1SC ZINC000459453757 299110753 /nfs/dbraw/zinc/11/07/53/299110753.db2.gz SZUNEJAOPDICQT-TWMKSMIVSA-N 2 0 314.539 2.853 20 0 DFADRP Cc1ccc([C@H](CNC2CC[NH+](C3CC3)CC2)[NH+]2CCCC2)o1 ZINC000459458041 299111651 /nfs/dbraw/zinc/11/16/51/299111651.db2.gz FCHUYHBMJQIEBK-SFHVURJKSA-N 2 0 317.477 2.941 20 0 DFADRP C[N@@H+]1CCC[C@]2(CC[NH+](CCC(=O)Nc3cccc(F)c3)C2)C1 ZINC000293036715 530065285 /nfs/dbraw/zinc/06/52/85/530065285.db2.gz RYFSKVWGZHELSX-SFHVURJKSA-N 2 0 319.424 2.572 20 0 DFADRP CO[C@H](C)CC[NH2+]Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000596665383 398475024 /nfs/dbraw/zinc/47/50/24/398475024.db2.gz NZFINEWPVUMMPD-MRXNPFEDSA-N 2 0 306.450 2.676 20 0 DFADRP COc1cccc(OCCC[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000090060391 398476994 /nfs/dbraw/zinc/47/69/94/398476994.db2.gz AGINILBBJFPZSS-HZPDHXFCSA-N 2 0 304.434 2.681 20 0 DFADRP CC[C@H](C)[C@H](O)C[NH2+][C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272704212 210108349 /nfs/dbraw/zinc/10/83/49/210108349.db2.gz ZSFIHSUQQRSDTA-PBWTXFEYSA-N 2 0 304.478 2.894 20 0 DFADRP c1ccc(C[N@H+]2C[C@@H]3CCC[C@H]([NH2+]C[C@H]4CCOC4)[C@@H]3C2)cc1 ZINC000272681716 210086246 /nfs/dbraw/zinc/08/62/46/210086246.db2.gz NDUJZMLWGAPHQJ-WCIQWLHISA-N 2 0 314.473 2.913 20 0 DFADRP C[C@@H]1C[C@H](NC[C@H]2CCC[NH+]2C)CC[N@@H+]1Cc1ccccc1 ZINC000272662356 210067001 /nfs/dbraw/zinc/06/70/01/210067001.db2.gz IGYKJEJUIXMDDT-BHIYHBOVSA-N 2 0 301.478 2.723 20 0 DFADRP Cc1nccn1CCC[N@@H+]1[C@H](C)CC[C@@H]1C(=O)OC(C)(C)C ZINC000593049518 398530630 /nfs/dbraw/zinc/53/06/30/398530630.db2.gz SYQGDCUJYRWZIT-UKRRQHHQSA-N 2 0 307.438 2.776 20 0 DFADRP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@@H](C)c2ccccc2C)CC1 ZINC000121303201 185779844 /nfs/dbraw/zinc/77/98/44/185779844.db2.gz KSHGMYZSZXAFLX-AEFFLSMTSA-N 2 0 303.494 2.919 20 0 DFADRP O[C@@H]1CCC[C@H]1[NH2+][C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000459585276 299141618 /nfs/dbraw/zinc/14/16/18/299141618.db2.gz JVWBDDBYYAZUDJ-CENDIDJXSA-N 2 0 314.473 2.790 20 0 DFADRP C[C@@H]1OCC[C@@H]1[NH2+][C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000272620912 210020472 /nfs/dbraw/zinc/02/04/72/210020472.db2.gz YGCPONLMJIQDKU-XFUTXVRSSA-N 2 0 300.446 2.664 20 0 DFADRP CCn1cc(C[NH2+][C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)cn1 ZINC000272613668 210015214 /nfs/dbraw/zinc/01/52/14/210015214.db2.gz WVXUBUPGNUDSHS-SLFFLAALSA-N 2 0 324.472 2.903 20 0 DFADRP CC[NH+](CC)[C@H](CNC(=O)C[C@@H]1CCC[NH2+]C1)c1ccccc1 ZINC000320316113 398547858 /nfs/dbraw/zinc/54/78/58/398547858.db2.gz DCAUKGJMYYCUNL-FUHWJXTLSA-N 2 0 317.477 2.575 20 0 DFADRP CC[C@@H]1OCC[C@H]1[NH2+][C@@H](C)c1ccc(OCC[NH+](C)C)cc1 ZINC000414218027 295778651 /nfs/dbraw/zinc/77/86/51/295778651.db2.gz ZEUWEIBAJJPJPI-QGTPRVQTSA-N 2 0 306.450 2.845 20 0 DFADRP C[C@@H]([NH2+]CC1(C)CC[NH+](C)CC1)c1ccc([S@@](C)=O)cc1 ZINC000272610207 210010185 /nfs/dbraw/zinc/01/01/85/210010185.db2.gz VZUGKALSURUGJH-SPLOXXLWSA-N 2 0 308.491 2.807 20 0 DFADRP C[C@H](CC[NH+](C)C)N[C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000272581191 210001293 /nfs/dbraw/zinc/00/12/93/210001293.db2.gz QOXDGPQYVLYHDI-BTHPGYMESA-N 2 0 315.505 2.827 20 0 DFADRP C[N@@H+]1CCC[C@H]2C[NH+](Cc3cccc(-n4cccn4)c3)CC[C@@H]21 ZINC000092043091 398554621 /nfs/dbraw/zinc/55/46/21/398554621.db2.gz RTLNTEFTTGSABZ-HKUYNNGSSA-N 2 0 310.445 2.788 20 0 DFADRP COC(=O)c1ccc(C[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@H+]3C)cc1F ZINC000323703449 398560296 /nfs/dbraw/zinc/56/02/96/398560296.db2.gz LGJWESWIKPOQPS-GOOCMWNKSA-N 2 0 320.408 2.717 20 0 DFADRP COC(=O)c1ccc(CN2CCC[C@@H]3C[N@H+](C)CC[C@@H]32)cc1F ZINC000597133379 398573558 /nfs/dbraw/zinc/57/35/58/398573558.db2.gz SSWZJALHRJOLJA-PBHICJAKSA-N 2 0 320.408 2.528 20 0 DFADRP Cc1ncc(C[N@H+]2CC[C@H](C)[C@@H](C(=O)OC(C)(C)C)C2)n1C ZINC000597156146 398577849 /nfs/dbraw/zinc/57/78/49/398577849.db2.gz WYMDOKJJHHTUHB-WFASDCNBSA-N 2 0 307.438 2.528 20 0 DFADRP C[C@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]CCc2cn(C)cn2)CC1 ZINC000459655891 299157330 /nfs/dbraw/zinc/15/73/30/299157330.db2.gz GLIISNPIHKGJBU-YJBOKZPZSA-N 2 0 304.482 2.595 20 0 DFADRP COc1ccc(C[NH2+]Cc2ccc3c[nH+]cn3c2)c(C)c1OC ZINC000459662981 299158455 /nfs/dbraw/zinc/15/84/55/299158455.db2.gz VYZUQXWNSQFEPZ-UHFFFAOYSA-N 2 0 311.385 2.950 20 0 DFADRP C[NH+](C)CCOc1ccc(C[NH2+]Cc2ccc(O)cc2)cc1 ZINC000069711348 398581188 /nfs/dbraw/zinc/58/11/88/398581188.db2.gz GNHAYDJRDMJDFC-UHFFFAOYSA-N 2 0 300.402 2.622 20 0 DFADRP COC(=O)[C@H]1C[C@@H]([NH2+]C2CC[NH+]([C@@H]3CCC[C@H](C)C3)CC2)C1 ZINC000597220668 398594565 /nfs/dbraw/zinc/59/45/65/398594565.db2.gz ISSOCLFSIAUAGM-XJNFMUPTSA-N 2 0 308.466 2.571 20 0 DFADRP CCO[C@@H]1C[C@H]([NH2+]CC2CC[NH+](CC3CC3)CC2)[C@@H]1SC ZINC000597248360 398606671 /nfs/dbraw/zinc/60/66/71/398606671.db2.gz RKWJITOUBMADKA-BBWFWOEESA-N 2 0 312.523 2.607 20 0 DFADRP COC(=O)[C@H]1C[C@H]([NH2+]C2CC[NH+]([C@H]3CCC[C@@H](C)C3)CC2)C1 ZINC000597241873 398604017 /nfs/dbraw/zinc/60/40/17/398604017.db2.gz ISSOCLFSIAUAGM-SRABZTEZSA-N 2 0 308.466 2.571 20 0 DFADRP COCCOc1ccc([C@@H](C)[NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000152408166 186069309 /nfs/dbraw/zinc/06/93/09/186069309.db2.gz DSQWRCJCJANGPJ-HZPDHXFCSA-N 2 0 318.461 2.847 20 0 DFADRP CC[C@H](C(=O)Nc1ccc(OCC[NH+](CC)CC)cc1)[NH+](C)C ZINC000152473823 186076931 /nfs/dbraw/zinc/07/69/31/186076931.db2.gz LNIOMOYYRYMJAF-QGZVFWFLSA-N 2 0 321.465 2.686 20 0 DFADRP CC[NH+]1CCC(CNc2ccnc(C(=O)OC(C)(C)C)c2)CC1 ZINC000593457713 398634832 /nfs/dbraw/zinc/63/48/32/398634832.db2.gz MFTDYFKRIQJFKG-UHFFFAOYSA-N 2 0 319.449 2.603 20 0 DFADRP CSc1ccc([C@H](C)NC[C@H](O)C[NH+]2CCCCC2)cc1 ZINC000173345425 186178756 /nfs/dbraw/zinc/17/87/56/186178756.db2.gz KKMNFLASBDWAQP-HOCLYGCPSA-N 2 0 308.491 2.906 20 0 DFADRP Cc1cc(Br)c(C[NH+]2CCC(C[NH3+])CC2)s1 ZINC000414655298 295812548 /nfs/dbraw/zinc/81/25/48/295812548.db2.gz KJLXRZJCYXRHBB-UHFFFAOYSA-N 2 0 303.269 2.990 20 0 DFADRP Nc1cc[nH+]cc1C(=O)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000188040538 186247871 /nfs/dbraw/zinc/24/78/71/186247871.db2.gz HVAXNMPNQRBYCV-UHFFFAOYSA-N 2 0 324.428 2.580 20 0 DFADRP Cc1ccc(C)c(N2CC[NH+](C[C@@H]3CC[NH2+][C@@H](C)C3)CC2)c1 ZINC000414678816 295815258 /nfs/dbraw/zinc/81/52/58/295815258.db2.gz RCRICBFJLPOSRJ-ZWKOTPCHSA-N 2 0 301.478 2.814 20 0 DFADRP COc1ccc(C[NH2+]CC[C@@H]2CCC[N@H+](C)C2)c(OC)c1OC ZINC000459724442 299172902 /nfs/dbraw/zinc/17/29/02/299172902.db2.gz DQXUEWMVTUDZSA-AWEZNQCLSA-N 2 0 322.449 2.534 20 0 DFADRP CC[N@@H+]1CC[C@H]([NH2+]Cc2ccccc2Cn2ccnc2)[C@@H](C)C1 ZINC000268739289 186373663 /nfs/dbraw/zinc/37/36/63/186373663.db2.gz CQVKKUVMAMTAAL-LPHOPBHVSA-N 2 0 312.461 2.751 20 0 DFADRP Cc1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)c(-c2cnn(C)c2)c1 ZINC000414822918 295822159 /nfs/dbraw/zinc/82/21/59/295822159.db2.gz CYWJXZSFLUQBRN-JWTNVVGKSA-N 2 0 310.445 2.768 20 0 DFADRP C[C@H](CC(=O)Nc1cccc(Cl)c1)[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000414822247 295822200 /nfs/dbraw/zinc/82/22/00/295822200.db2.gz CLSIAWOZGLWIOJ-YGOACVGDSA-N 2 0 321.852 2.930 20 0 DFADRP CCCOc1ccc(C[NH2+][C@H](C)[C@@H]2CCC[NH2+]C2)cc1OC ZINC000414822482 295822298 /nfs/dbraw/zinc/82/22/98/295822298.db2.gz AGBCIIUKMLNFSH-GDBMZVCRSA-N 2 0 306.450 2.962 20 0 DFADRP C[C@@H](CCc1ccc2c(c1)OCO2)[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000414823521 295822348 /nfs/dbraw/zinc/82/23/48/295822348.db2.gz DSRGCQSNNDUXHI-NTQSIJHJSA-N 2 0 302.418 2.609 20 0 DFADRP c1ccc(COc2cccc(C[NH2+]CC[C@@H]3CC[NH2+]C3)c2)nc1 ZINC000414829954 295823301 /nfs/dbraw/zinc/82/33/01/295823301.db2.gz LKBUDZICJJGBOA-INIZCTEOSA-N 2 0 311.429 2.750 20 0 DFADRP CCOc1c(Cl)cc(C[NH2+]CC[C@H]2CC[NH2+]C2)cc1OC ZINC000414831722 295823530 /nfs/dbraw/zinc/82/35/30/295823530.db2.gz NPLSSLGJOAWLMI-GFCCVEGCSA-N 2 0 312.841 2.837 20 0 DFADRP COc1ccc(CC[C@@H](C)[NH2+]CC[C@@H]2CCC[NH2+]C2)cc1O ZINC000414833536 295823888 /nfs/dbraw/zinc/82/38/88/295823888.db2.gz GHKQMDISVSVCEE-ZBFHGGJFSA-N 2 0 306.450 2.701 20 0 DFADRP COc1ccc(C[C@@H](C)C[NH2+]CC[C@@H]2CCC[NH2+]C2)cc1F ZINC000414835921 295824156 /nfs/dbraw/zinc/82/41/56/295824156.db2.gz ITCPLKSHKVLQSA-CABCVRRESA-N 2 0 308.441 2.992 20 0 DFADRP Cc1ccc(NC(=O)C[C@@H](C)[NH2+]CC[C@@H]2CC[NH2+]C2)c(C)c1 ZINC000414842192 295824800 /nfs/dbraw/zinc/82/48/00/295824800.db2.gz YSTBROPFKYYYPU-CVEARBPZSA-N 2 0 303.450 2.610 20 0 DFADRP Clc1ccc(CN2CCC([NH2+]CC[C@H]3CC[NH2+]C3)CC2)cc1 ZINC000414841016 295824872 /nfs/dbraw/zinc/82/48/72/295824872.db2.gz XNHWEMPWFOITTR-OAHLLOKOSA-N 2 0 321.896 2.894 20 0 DFADRP COCCOc1ccccc1C[NH2+]CC[C@H]1CCC[N@H+](C)C1 ZINC000459740534 299178727 /nfs/dbraw/zinc/17/87/27/299178727.db2.gz UONQOMGWXXBPQA-MRXNPFEDSA-N 2 0 306.450 2.533 20 0 DFADRP COc1cc(C[NH2+][C@H](C)[C@H]2CCC[NH2+]C2)cc(Cl)c1OC ZINC000414847023 295825509 /nfs/dbraw/zinc/82/55/09/295825509.db2.gz FQSCTEDCDLOLIB-YPMHNXCESA-N 2 0 312.841 2.835 20 0 DFADRP Cc1ccccc1NC(=O)C[C@H](C)[NH2+][C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000414858645 295827246 /nfs/dbraw/zinc/82/72/46/295827246.db2.gz SEXRJYKQYJTUPG-JYJNAYRXSA-N 2 0 303.450 2.690 20 0 DFADRP C[N@@H+]1CCC[C@@H](CC[NH2+]Cc2cnc([C@H]3CCCO3)s2)C1 ZINC000459744036 299179708 /nfs/dbraw/zinc/17/97/08/299179708.db2.gz XPFQQAPOKPFJJC-DZGCQCFKSA-N 2 0 309.479 2.816 20 0 DFADRP C[C@H]([NH2+]Cc1ccc(Br)s1)[C@@H]1CCC[NH2+]C1 ZINC000414858151 295827205 /nfs/dbraw/zinc/82/72/05/295827205.db2.gz RAIMWNPYHSLWQZ-VHSXEESVSA-N 2 0 303.269 2.988 20 0 DFADRP [NH3+]CCCC[NH2+]Cc1cc(Cl)ccc1OC[C@H]1CCCO1 ZINC000414898168 295831987 /nfs/dbraw/zinc/83/19/87/295831987.db2.gz DFDBKDVKEJORIZ-OAHLLOKOSA-N 2 0 312.841 2.726 20 0 DFADRP C[C@H](CC[NH3+])[NH2+]Cc1cccc(Br)c1OC(F)F ZINC000414897529 295832020 /nfs/dbraw/zinc/83/20/20/295832020.db2.gz RJUDKNGVTFGIKJ-MRVPVSSYSA-N 2 0 323.181 2.877 20 0 DFADRP COc1cc(C[NH2+]C[C@]2(C)CCC[NH2+]C2)ccc1OC(C)C ZINC000414901931 295832564 /nfs/dbraw/zinc/83/25/64/295832564.db2.gz JYEKZPUIXDRNBP-GOSISDBHSA-N 2 0 306.450 2.962 20 0 DFADRP CCOc1c(C[NH2+]CC2(C)CC[NH2+]CC2)c(C)nn1CC(C)C ZINC000414903318 295832771 /nfs/dbraw/zinc/83/27/71/295832771.db2.gz LRULYHPSELGPGR-UHFFFAOYSA-N 2 0 322.497 2.726 20 0 DFADRP COc1ccc(-c2n[nH]cc2C[NH2+]C[C@@]2(C)CCC[NH2+]C2)cc1 ZINC000414913829 295834066 /nfs/dbraw/zinc/83/40/66/295834066.db2.gz WZRJHLKUUQSVRB-SFHVURJKSA-N 2 0 314.433 2.565 20 0 DFADRP CC1([NH2+]Cc2cccc(OCC(F)(F)F)c2)CC[NH2+]CC1 ZINC000414933903 295836794 /nfs/dbraw/zinc/83/67/94/295836794.db2.gz DZLBTHGNDHBZQE-UHFFFAOYSA-N 2 0 302.340 2.859 20 0 DFADRP C[C@@H]1C[C@H]([NH2+]Cc2cccc(OCc3ccccn3)c2)CC[NH2+]1 ZINC000414944837 295838416 /nfs/dbraw/zinc/83/84/16/295838416.db2.gz HJWXZAXGBPWKPZ-NVXWUHKLSA-N 2 0 311.429 2.891 20 0 DFADRP COCC1(C[NH2+]Cc2cnc(C(C)(C)C)s2)CC[NH2+]CC1 ZINC000414949868 295839159 /nfs/dbraw/zinc/83/91/59/295839159.db2.gz DLWILNDFWKYIEQ-UHFFFAOYSA-N 2 0 311.495 2.546 20 0 DFADRP C[C@H]1C[NH2+]CC[C@@H]1[NH2+]Cc1cccc(OCC(F)(F)F)c1 ZINC000414957802 295840662 /nfs/dbraw/zinc/84/06/62/295840662.db2.gz OSXXZALRCWTJKJ-FZMZJTMJSA-N 2 0 302.340 2.715 20 0 DFADRP C(CC1CC[NH+](CCOC[C@H]2CCCO2)CC1)C[NH+]1CCCC1 ZINC000122081468 282824188 /nfs/dbraw/zinc/82/41/88/282824188.db2.gz KXMOQBBLKQFQBP-LJQANCHMSA-N 2 0 324.509 2.770 20 0 DFADRP CSc1cc2c(cc1C[NH2+]C[C@@H]1CCC[C@@H]([NH3+])C1)OCCO2 ZINC000415005076 295846472 /nfs/dbraw/zinc/84/64/72/295846472.db2.gz YVSBDSFEHHNZSA-TZMCWYRMSA-N 2 0 322.474 2.787 20 0 DFADRP Cc1nn(-c2ccccc2)c(C)c1C[NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000415005201 295846532 /nfs/dbraw/zinc/84/65/32/295846532.db2.gz IVLQPEUYIQEFEF-AZUAARDMSA-N 2 0 324.472 2.967 20 0 DFADRP C[C@@H](CCCC[NH3+])[NH2+]Cc1cc2c(cc1OC(F)F)OCO2 ZINC000415006796 295846611 /nfs/dbraw/zinc/84/66/11/295846611.db2.gz AJTZGGRTKHOXSK-JTQLQIEISA-N 2 0 316.348 2.624 20 0 DFADRP COCC[C@H](Cc1cccc(F)c1)[NH2+]C[C@@H]1CCC[C@H]([NH3+])C1 ZINC000415006710 295846638 /nfs/dbraw/zinc/84/66/38/295846638.db2.gz QQMXDCJBSAOZKY-BPQIPLTHSA-N 2 0 308.441 2.880 20 0 DFADRP [NH3+]C[C@H]1CC[C@H](C[NH2+]Cc2ncc(Br)s2)CC1 ZINC000415018861 295847557 /nfs/dbraw/zinc/84/75/57/295847557.db2.gz CXRHNUXOFPGVGY-MGCOHNPYSA-N 2 0 318.284 2.760 20 0 DFADRP COc1ccc(C[C@H](C)[NH2+]CC[C@@H]2CCC[N@H+](C)C2)cc1OC ZINC000459784644 299192081 /nfs/dbraw/zinc/19/20/81/299192081.db2.gz ODBBGIIDJQUVCN-HOTGVXAUSA-N 2 0 320.477 2.956 20 0 DFADRP Cc1nn(Cc2ccccc2)c(C)c1C[NH2+][C@@H](C)CCC[NH3+] ZINC000415018934 295847843 /nfs/dbraw/zinc/84/78/43/295847843.db2.gz HMWYVHLMDSRWAB-AWEZNQCLSA-N 2 0 300.450 2.765 20 0 DFADRP FC(F)(F)c1cnc(C[NH2+][C@@H]2C[C@H]2C2CC[NH2+]CC2)s1 ZINC000415012400 295847347 /nfs/dbraw/zinc/84/73/47/295847347.db2.gz SNJKSCYXFNYXDJ-VHSXEESVSA-N 2 0 305.369 2.640 20 0 DFADRP C[C@H](CCC[NH3+])[NH2+]C1CCN(CCc2ccc(F)cc2)CC1 ZINC000415025153 295848424 /nfs/dbraw/zinc/84/84/24/295848424.db2.gz QLDATLGRHKHWSA-OAHLLOKOSA-N 2 0 307.457 2.550 20 0 DFADRP [NH3+]C[C@H]1CC[C@H]([NH2+]Cc2cc(Br)ccc2F)C1 ZINC000415029135 295848485 /nfs/dbraw/zinc/84/84/85/295848485.db2.gz DIPFABGEGAUDMH-CABZTGNLSA-N 2 0 301.203 2.805 20 0 DFADRP Cc1nn(-c2cccc(F)c2)cc1C[NH2+][C@H]1CC[C@@H](C[NH3+])C1 ZINC000415046847 295851132 /nfs/dbraw/zinc/85/11/32/295851132.db2.gz VKKNYMHMHPCTPJ-CJNGLKHVSA-N 2 0 302.397 2.537 20 0 DFADRP COC(=O)c1cc(C[NH2+][C@@H](CCC[NH3+])c2ccccc2)oc1C ZINC000415055399 295852130 /nfs/dbraw/zinc/85/21/30/295852130.db2.gz OSQZKXGBJFGOMC-KRWDZBQOSA-N 2 0 316.401 2.944 20 0 DFADRP FC(F)(F)COc1cccc(C[NH2+]CCC[NH2+]C2CC2)c1 ZINC000415063768 295853566 /nfs/dbraw/zinc/85/35/66/295853566.db2.gz AVNRGDLFCREUGQ-UHFFFAOYSA-N 2 0 302.340 2.859 20 0 DFADRP CCN1CC[NH+](CCCC[NH2+]C[C@H](C)Cc2ccccc2)CC1 ZINC000182053195 199380529 /nfs/dbraw/zinc/38/05/29/199380529.db2.gz RSGSDLDTKZOUOV-LJQANCHMSA-N 2 0 317.521 2.873 20 0 DFADRP C[C@@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]CCn1cnc2ccccc21 ZINC000415074542 295854835 /nfs/dbraw/zinc/85/48/35/295854835.db2.gz AOCNSZWLFBGBCE-HOTGVXAUSA-N 2 0 300.450 2.937 20 0 DFADRP C[C@@H]([NH2+]Cc1ccc(N2CCCCCC2)nc1)[C@H]1CC[NH2+]C1 ZINC000415081206 295855485 /nfs/dbraw/zinc/85/54/85/295855485.db2.gz KBDBJEAUSKLUML-WBVHZDCISA-N 2 0 302.466 2.550 20 0 DFADRP C[C@@H](C[C@@H]1CCC[NH2+]1)[NH2+]Cc1ccc(N2CCC(C)CC2)nc1 ZINC000415081265 295855671 /nfs/dbraw/zinc/85/56/71/295855671.db2.gz KENWPTYXMGUFLQ-WMZOPIPTSA-N 2 0 316.493 2.938 20 0 DFADRP Cc1cccc([C@H](C)[NH2+]Cc2ccnc(N3CC[NH+](C)CC3)c2)c1 ZINC000173928584 198270315 /nfs/dbraw/zinc/27/03/15/198270315.db2.gz ORTCYJFRCMIHSM-KRWDZBQOSA-N 2 0 324.472 2.993 20 0 DFADRP C[C@@H]1C[C@@H](C[NH2+]Cc2ccc(N3CCCCCC3)nc2)CC[NH2+]1 ZINC000415083698 295855960 /nfs/dbraw/zinc/85/59/60/295855960.db2.gz NLKXAFXZPDKEQB-SJORKVTESA-N 2 0 316.493 2.940 20 0 DFADRP CC[NH+](CC)CCCCNC(=O)c1cccc(C[NH+](C)C)c1 ZINC000073640212 398692516 /nfs/dbraw/zinc/69/25/16/398692516.db2.gz WVHGFYBALUXDMK-UHFFFAOYSA-N 2 0 305.466 2.600 20 0 DFADRP C[N@@H+]1CCCN(CCC[NH2+]Cc2cnc(C(C)(C)C)s2)CC1 ZINC000105476094 398692701 /nfs/dbraw/zinc/69/27/01/398692701.db2.gz DDHUZERCPSTUAY-UHFFFAOYSA-N 2 0 324.538 2.558 20 0 DFADRP C[C@@H]1C[C@H](C[NH2+][C@H]2CCN(c3c(F)cccc3F)C2)CC[NH2+]1 ZINC000415090171 295856883 /nfs/dbraw/zinc/85/68/83/295856883.db2.gz XLFQZGRXDVRDDF-MCIONIFRSA-N 2 0 309.404 2.521 20 0 DFADRP [NH3+]C1CCC([NH2+]Cc2cccc(NC(=O)C3CCC3)c2)CC1 ZINC000415098913 295857633 /nfs/dbraw/zinc/85/76/33/295857633.db2.gz GCYHCSHQGKFSKM-UHFFFAOYSA-N 2 0 301.434 2.785 20 0 DFADRP CC[NH+](CC)C[C@@H]1CC[N@H+](CCC(=O)Nc2ccc(F)cc2)C1 ZINC000174218879 198306895 /nfs/dbraw/zinc/30/68/95/198306895.db2.gz KIQGCXLYLRRNAZ-HNNXBMFYSA-N 2 0 321.440 2.818 20 0 DFADRP COc1ccc(C[NH+]2CCC([C@H]3C[C@@H]([NH3+])CCO3)CC2)cc1C ZINC000415123557 295861083 /nfs/dbraw/zinc/86/10/83/295861083.db2.gz LFBPKFKRTDZZLM-PKOBYXMFSA-N 2 0 318.461 2.722 20 0 DFADRP Cc1cc(C[NH3+])cc(NC(=O)N2CC[C@@H]([NH+]3CCCC3)[C@@H]2C)c1 ZINC000332009545 234381883 /nfs/dbraw/zinc/38/18/83/234381883.db2.gz YYNMTJYMZRPUHC-WMLDXEAASA-N 2 0 316.449 2.544 20 0 DFADRP CC(C)OC(=O)CC[N@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000174395796 198329361 /nfs/dbraw/zinc/32/93/61/198329361.db2.gz DKJMJPFCMYMLKM-GOSISDBHSA-N 2 0 318.461 2.782 20 0 DFADRP Cc1ccc(CCC[NH+]2CCC([C@@H]3C[C@H]([NH3+])CCO3)CC2)cn1 ZINC000415130009 295862581 /nfs/dbraw/zinc/86/25/81/295862581.db2.gz WEXJEZPRZOHVLE-MOPGFXCFSA-N 2 0 317.477 2.541 20 0 DFADRP Cc1cc(F)ccc1C[NH+]1CCC([C@@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000415136546 295863410 /nfs/dbraw/zinc/86/34/10/295863410.db2.gz XFTUFBMDNGWDDQ-ROUUACIJSA-N 2 0 306.425 2.852 20 0 DFADRP CC[N@@H+]1CC[C@H]([NH+](C)CCC(=O)Nc2ccccc2)[C@H](C)C1 ZINC000174775036 198383632 /nfs/dbraw/zinc/38/36/32/198383632.db2.gz NWKXCALNYZPIGD-WBVHZDCISA-N 2 0 303.450 2.677 20 0 DFADRP C[C@@H](C(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1)[C@H](C)[NH3+] ZINC000277082480 213282400 /nfs/dbraw/zinc/28/24/00/213282400.db2.gz QOFXHXSQMNSUNR-CABCVRRESA-N 2 0 303.450 2.637 20 0 DFADRP OC[C@@H]1CCC[N@@H+]1Cc1ccccc1C[NH2+]C(C1CC1)C1CC1 ZINC000182246044 199409512 /nfs/dbraw/zinc/40/95/12/199409512.db2.gz WEASBDXMLQFBPW-IBGZPJMESA-N 2 0 314.473 2.922 20 0 DFADRP COC1(C[NH2+]CC[C@@H](C)[N@H+](C)Cc2ccccc2)CCOCC1 ZINC000277052891 213265166 /nfs/dbraw/zinc/26/51/66/213265166.db2.gz QPKKNZKCDIGZID-QGZVFWFLSA-N 2 0 320.477 2.682 20 0 DFADRP CC[N@@H+]1CC[C@H]([NH2+]CCCN(C)c2ccccc2F)[C@H](C)C1 ZINC000129093561 283001853 /nfs/dbraw/zinc/00/18/53/283001853.db2.gz RDRDMIHIZAHOAB-WBVHZDCISA-N 2 0 307.457 2.972 20 0 DFADRP CCC[C@H]([NH3+])C(=O)N(C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000236789497 202009968 /nfs/dbraw/zinc/00/99/68/202009968.db2.gz YLYLABWWYKGKJT-JQHSSLGASA-N 2 0 317.477 2.625 20 0 DFADRP CC(C)[C@H]([NH3+])C(=O)Nc1ccc(C[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000236795688 202014249 /nfs/dbraw/zinc/01/42/49/202014249.db2.gz CAINUYZNYVHDNX-YOEHRIQHSA-N 2 0 303.450 2.983 20 0 DFADRP Cc1nccn1CCCC[N@H+](CC(N)=O)[C@H](C)c1ccccc1 ZINC000129259668 283008043 /nfs/dbraw/zinc/00/80/43/283008043.db2.gz DHMHXUIEWUURSW-OAHLLOKOSA-N 2 0 314.433 2.520 20 0 DFADRP FC(F)(F)[C@@H]1CCC[C@H]([NH2+]CCCC[NH+]2CCOCC2)C1 ZINC000129309146 283010025 /nfs/dbraw/zinc/01/00/25/283010025.db2.gz SYRDXQJIBLLAAG-KGLIPLIRSA-N 2 0 308.388 2.810 20 0 DFADRP COc1ccccc1N1CCC([NH2+][C@H](C)CC[NH+](C)C)CC1 ZINC000681113245 545599475 /nfs/dbraw/zinc/59/94/75/545599475.db2.gz KLHYJWBPVOWXSZ-OAHLLOKOSA-N 2 0 305.466 2.594 20 0 DFADRP C[C@H](C(=O)NCCCC[NH+]1CCC(C)CC1)[NH+]1CCCCCC1 ZINC000074220602 398732407 /nfs/dbraw/zinc/73/24/07/398732407.db2.gz QEJAFBSQOIMSEF-GOSISDBHSA-N 2 0 323.525 2.879 20 0 DFADRP CC[NH2+]Cc1cccc(NC(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)c1 ZINC000415900375 295900004 /nfs/dbraw/zinc/90/00/04/295900004.db2.gz ACWBOIXRVBCKCW-AWEZNQCLSA-N 2 0 320.481 2.894 20 0 DFADRP CC[NH2+]Cc1cccc(NC(=O)NCC2(C)CC[NH+](C)CC2)c1 ZINC000415910985 295900870 /nfs/dbraw/zinc/90/08/70/295900870.db2.gz CTYSQYXJBDPQMM-UHFFFAOYSA-N 2 0 318.465 2.650 20 0 DFADRP CC[NH2+]Cc1ccccc1NC(=O)N(CC)CCC[NH+](C)C ZINC000415936247 295904446 /nfs/dbraw/zinc/90/44/46/295904446.db2.gz WDXVCJIARPWQDZ-UHFFFAOYSA-N 2 0 306.454 2.602 20 0 DFADRP [NH3+]Cc1ccc(NC(=O)NCCCCC[NH+]2CCCCC2)cc1 ZINC000415980263 295908144 /nfs/dbraw/zinc/90/81/44/295908144.db2.gz SILNAKONUBUBSZ-UHFFFAOYSA-N 2 0 318.465 2.923 20 0 DFADRP C[N@@H+]1CC[C@H]([NH2+]C[C@]2(CO)C[C@@H]2c2ccccc2)[C@H]2CCC[C@H]21 ZINC000353640727 283139148 /nfs/dbraw/zinc/13/91/48/283139148.db2.gz HNMKIXIMOPIHJM-OBKDMQGPSA-N 2 0 314.473 2.615 20 0 DFADRP CC[NH+]1CCC(CCNC(=O)CC2(C[NH3+])CCCCC2)CC1 ZINC000184237551 199692435 /nfs/dbraw/zinc/69/24/35/199692435.db2.gz DVSOOYNOCGOFJZ-UHFFFAOYSA-N 2 0 309.498 2.524 20 0 DFADRP C[C@@H](CN1CC[NH+](C)CC1)[NH2+][C@@H]1CCc2cc(Cl)ccc21 ZINC000155098277 295922735 /nfs/dbraw/zinc/92/27/35/295922735.db2.gz RNBRRSIYGVZXKD-SUMWQHHRSA-N 2 0 307.869 2.553 20 0 DFADRP CCC[N@H+](CC)C[C@@H](C)NC(=O)[C@@H](C)[NH+](C)Cc1ccccc1 ZINC000359775986 283177981 /nfs/dbraw/zinc/17/79/81/283177981.db2.gz VBOGLYXWGBWENK-IAGOWNOFSA-N 2 0 319.493 2.744 20 0 DFADRP CC[NH+](CC)[C@H](C(=O)N1CCC[C@@H](C[NH2+]C)C1)c1ccccc1 ZINC000236864131 202042103 /nfs/dbraw/zinc/04/21/03/202042103.db2.gz KSSPIZBZTJAVRH-WMZOPIPTSA-N 2 0 317.477 2.528 20 0 DFADRP CC[N@H+](C)[C@@H](C(=O)N[C@@H](C[NH3+])C1CCCCC1)c1ccccc1 ZINC000236886353 202053440 /nfs/dbraw/zinc/05/34/40/202053440.db2.gz XTOFWKCEMZTOOX-ZWKOTPCHSA-N 2 0 317.477 2.703 20 0 DFADRP CC[C@@H](COC)[NH2+]Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000120221005 398780590 /nfs/dbraw/zinc/78/05/90/398780590.db2.gz LMQILMLFVHSUBP-KRWDZBQOSA-N 2 0 306.450 2.676 20 0 DFADRP CC[NH+](CC)Cc1ccccc1CNC(=O)CC1CC[NH2+]CC1 ZINC000236906549 202064609 /nfs/dbraw/zinc/06/46/09/202064609.db2.gz ZWGIXKGNGYMZQL-UHFFFAOYSA-N 2 0 317.477 2.534 20 0 DFADRP CCc1ccc([C@@H](CNC(=O)C(CC)(CC)C[NH3+])[NH+](C)C)cc1 ZINC000236991055 202111968 /nfs/dbraw/zinc/11/19/68/202111968.db2.gz JVAOTDWFGSDKCH-QGZVFWFLSA-N 2 0 319.493 2.733 20 0 DFADRP CC[C@H](C)[C@H]([NH3+])C(=O)NC[C@@H](c1ccsc1)[NH+](CC)CC ZINC000237043787 202133030 /nfs/dbraw/zinc/13/30/30/202133030.db2.gz RLTALRHSJVRQFD-QEJZJMRPSA-N 2 0 311.495 2.621 20 0 DFADRP CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)CCC2CC[NH2+]CC2)C1 ZINC000237052881 202136299 /nfs/dbraw/zinc/13/62/99/202136299.db2.gz XOLCDUSFGPCIQI-INIZCTEOSA-N 2 0 323.525 2.783 20 0 DFADRP CCC[NH+](CCC)CCCC(=O)N1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000371229645 283209215 /nfs/dbraw/zinc/20/92/15/283209215.db2.gz JTFGROOVCQOTAA-QZTJIDSGSA-N 2 0 323.525 2.879 20 0 DFADRP CCC[NH+](CCC)CCCC(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000154523308 283209495 /nfs/dbraw/zinc/20/94/95/283209495.db2.gz DXIQMVGUBCOIRZ-MSOLQXFVSA-N 2 0 323.525 2.831 20 0 DFADRP CS[C@@H]1CC[C@H]1[NH2+][C@H]1CCCN(c2cc(C)nc(C)n2)C1 ZINC000591835638 398793982 /nfs/dbraw/zinc/79/39/82/398793982.db2.gz YEEKFTZACFUCNS-RRFJBIMHSA-N 2 0 306.479 2.546 20 0 DFADRP C[N@@H+]1CCN(C(=O)C[C@@H]([NH3+])c2ccccc2)C2(CCCCC2)C1 ZINC000237192786 202182753 /nfs/dbraw/zinc/18/27/53/202182753.db2.gz XSIBCRCDYSORFI-QGZVFWFLSA-N 2 0 315.461 2.553 20 0 DFADRP COc1ccc(Br)cc1CN1CC[C@H]([NH3+])C[C@H]1C ZINC000124550125 398803554 /nfs/dbraw/zinc/80/35/54/398803554.db2.gz JUDJKFWLIYBPEP-MFKMUULPSA-N 2 0 313.239 2.769 20 0 DFADRP CC[N@@H+]1CC[C@@H]([NH2+]Cc2cccc(Cn3ccnc3)c2)[C@H](C)C1 ZINC000151322695 283281470 /nfs/dbraw/zinc/28/14/70/283281470.db2.gz SWAPUSNEEBBGRG-VQIMIIECSA-N 2 0 312.461 2.751 20 0 DFADRP CC[N@@H+]1CC[C@@H](C[NH2+][C@H]2CCCc3ccc(C(=O)OC)cc32)C1 ZINC000594493389 398808752 /nfs/dbraw/zinc/80/87/52/398808752.db2.gz HLUNJUORJDLXLX-KSSFIOAISA-N 2 0 316.445 2.782 20 0 DFADRP COC(=O)c1ccc2c(c1)[C@H]([NH2+]C[C@@H]1CCC[N@H+](C)C1)CCC2 ZINC000594494467 398808769 /nfs/dbraw/zinc/80/87/69/398808769.db2.gz GOAUKYYGCARXBA-KBXCAEBGSA-N 2 0 316.445 2.782 20 0 DFADRP CC(C)[C@@H](C(=O)N1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C)C1)[NH+](C)C ZINC000151662447 283291601 /nfs/dbraw/zinc/29/16/01/283291601.db2.gz PPTSKYDESGRKPV-SQNIBIBYSA-N 2 0 323.525 2.686 20 0 DFADRP C[C@H](c1ccccc1F)[NH+]1CCC(C[NH+]2CCOCC2)CC1 ZINC000051960079 398827956 /nfs/dbraw/zinc/82/79/56/398827956.db2.gz UNLWTCZKDIVXMT-OAHLLOKOSA-N 2 0 306.425 2.931 20 0 DFADRP CC(C)(C[NH2+]Cc1c[nH]nc1-c1cccnc1)C[NH+]1CCCC1 ZINC000276712501 213061730 /nfs/dbraw/zinc/06/17/30/213061730.db2.gz QHAAJQFYERNQFG-UHFFFAOYSA-N 2 0 313.449 2.683 20 0 DFADRP COC(=O)c1cc(C[N@@H+]2CC[C@@H](C3CC[NH+](C)CC3)C2)c(C)o1 ZINC000594606608 398830302 /nfs/dbraw/zinc/83/03/02/398830302.db2.gz JNIHSJNJDBWGJO-OAHLLOKOSA-N 2 0 320.433 2.538 20 0 DFADRP Cc1cccc(C[NH+]2CCN(CC[NH+]3CCC(C)CC3)CC2)c1 ZINC000152482064 283325924 /nfs/dbraw/zinc/32/59/24/283325924.db2.gz FADWYJAZXLBGPY-UHFFFAOYSA-N 2 0 315.505 2.845 20 0 DFADRP CC[C@@H]([NH3+])C(=O)NC[C@@H](c1ccccc1Cl)[NH+](CC)CC ZINC000130261651 398844050 /nfs/dbraw/zinc/84/40/50/398844050.db2.gz OLHQXVKQASBJHK-CABCVRRESA-N 2 0 311.857 2.576 20 0 DFADRP C[C@@H]([NH2+]CCOCC(F)F)c1ccc(OCC[NH+](C)C)cc1 ZINC000276646462 213021305 /nfs/dbraw/zinc/02/13/05/213021305.db2.gz LRWFMYMIWZSKFY-CYBMUJFWSA-N 2 0 316.392 2.559 20 0 DFADRP CC[NH+](CC)Cc1cccc(C[NH2+][C@H](C)[C@@H]2C[C@@H]2C(=O)OC)c1 ZINC000594925900 398873364 /nfs/dbraw/zinc/87/33/64/398873364.db2.gz PVOWTCCDPBVWAQ-JLSDUUJJSA-N 2 0 318.461 2.816 20 0 DFADRP CC[NH+](CC)Cc1ccccc1C[NH2+][C@H](C)[C@@H]1C[C@H]1C(=O)OC ZINC000594920159 398871660 /nfs/dbraw/zinc/87/16/60/398871660.db2.gz SIOZMPYAMMSMRV-FHLIZLRMSA-N 2 0 318.461 2.816 20 0 DFADRP CC[NH+](CC)Cc1ccccc1C[NH2+][C@H](C)[C@H]1C[C@H]1C(=O)OC ZINC000594920163 398871694 /nfs/dbraw/zinc/87/16/94/398871694.db2.gz SIOZMPYAMMSMRV-ZTFGCOKTSA-N 2 0 318.461 2.816 20 0 DFADRP C[C@@H](C[NH2+]Cc1ccnc(N2CC[NH+](C)CC2)c1)c1ccccc1 ZINC000237418125 202259203 /nfs/dbraw/zinc/25/92/03/202259203.db2.gz DKPHTVFUEMMHEV-KRWDZBQOSA-N 2 0 324.472 2.727 20 0 DFADRP COC(=O)[C@@H]1C[C@@H]1[C@@H](C)[NH2+]CC1CC[NH+](CCC(C)C)CC1 ZINC000594933624 398875171 /nfs/dbraw/zinc/87/51/71/398875171.db2.gz AJYUIPBEKXQLMJ-DJIMGWMZSA-N 2 0 310.482 2.532 20 0 DFADRP c1ccc(N2CC[NH+](CCNc3nc4ccccc4[nH]3)CC2)cc1 ZINC000137469651 398876262 /nfs/dbraw/zinc/87/62/62/398876262.db2.gz ZLYNEDCFTMHMHS-UHFFFAOYSA-N 2 0 321.428 2.797 20 0 DFADRP COC(=O)C[C@@H]1CC[C@H]([NH2+]CC2CC[NH+](CC3CC3)CC2)[C@@H]1C ZINC000595001026 398889472 /nfs/dbraw/zinc/88/94/72/398889472.db2.gz PDLQGTZMXMGEJR-JLSDUUJJSA-N 2 0 322.493 2.676 20 0 DFADRP Cc1cccc(CCC[N@@H+](C)CC2CC[NH+](C[C@@H](C)O)CC2)c1 ZINC000181097025 199251399 /nfs/dbraw/zinc/25/13/99/199251399.db2.gz YFTVCPKBZBHEQC-GOSISDBHSA-N 2 0 318.505 2.952 20 0 DFADRP C[C@H]([NH2+][C@@H]1CCCC[C@H]1O)c1cccc(OCC[NH+](C)C)c1 ZINC000186788847 200011366 /nfs/dbraw/zinc/01/13/66/200011366.db2.gz PAXTXTXBISOWJQ-BMGDILEWSA-N 2 0 306.450 2.581 20 0 DFADRP CC(C)[C@H](Cc1ccccc1)[NH2+]CCCN1CCC[N@H+](C)CC1 ZINC000187168204 200070779 /nfs/dbraw/zinc/07/07/79/200070779.db2.gz ILBLSQMJDZXEKT-FQEVSTJZSA-N 2 0 317.521 2.871 20 0 DFADRP CSC[C@@H](O)C[NH+]1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC000187808973 200160135 /nfs/dbraw/zinc/16/01/35/200160135.db2.gz HWFLDISAGBYWOK-SFHVURJKSA-N 2 0 322.518 2.554 20 0 DFADRP CC[C@@H]([NH2+]C[C@@H](C)CN1CC[NH+](C)CC1)c1cccc(F)c1 ZINC000187955767 200182081 /nfs/dbraw/zinc/18/20/81/200182081.db2.gz KBSWCDIXNKQOBN-CRAIPNDOSA-N 2 0 307.457 2.750 20 0 DFADRP CC[NH+](CC)Cc1cccc(CNC(=O)c2coc(C[NH3+])c2)c1 ZINC000188065870 200188559 /nfs/dbraw/zinc/18/85/59/200188559.db2.gz PNHNLFGYGPKDGJ-UHFFFAOYSA-N 2 0 315.417 2.510 20 0 DFADRP C[C@H]1C[C@H](C)C[NH+](Cc2ccc(CNC(=O)CCC[NH3+])cc2)C1 ZINC000237556370 202282865 /nfs/dbraw/zinc/28/28/65/202282865.db2.gz MJPIVCKXRAXHGH-HOTGVXAUSA-N 2 0 317.477 2.520 20 0 DFADRP CO[C@H](C)C[NH2+][C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000188109777 200195214 /nfs/dbraw/zinc/19/52/14/200195214.db2.gz NMUYFVYVFBWATI-XGXHKWSGSA-N 2 0 302.462 2.912 20 0 DFADRP C[C@H](CC(=O)NC1CC[NH+](C2CCCC2)CC1)[C@H]1CCC[NH2+]C1 ZINC000237598767 202299294 /nfs/dbraw/zinc/29/92/94/202299294.db2.gz AASIOWYTJFXZJJ-CVEARBPZSA-N 2 0 321.509 2.535 20 0 DFADRP Cc1ccc([C@H](CNC(=O)CCCCCC[NH3+])[NH+]2CCCC2)o1 ZINC000237787233 202354695 /nfs/dbraw/zinc/35/46/95/202354695.db2.gz LQTIROPEPWHSLN-INIZCTEOSA-N 2 0 321.465 2.750 20 0 DFADRP [NH3+]Cc1cc(NC(=O)[C@H]2CCCCC[NH2+]2)cc(C(F)(F)F)c1 ZINC000365963241 283527344 /nfs/dbraw/zinc/52/73/44/283527344.db2.gz OGWHHBIYQLBAMW-CYBMUJFWSA-N 2 0 315.339 2.635 20 0 DFADRP C[C@H](NCC1([NH+](C)C)CC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000417356344 296013341 /nfs/dbraw/zinc/01/33/41/296013341.db2.gz PFVPUVGQLAZYEE-WMZOPIPTSA-N 2 0 301.478 2.581 20 0 DFADRP [NH3+]C[C@H](Cc1ccccc1)[C@@H]1CCCCN1C[C@@H]1CCC[NH2+]C1 ZINC000471848522 299309982 /nfs/dbraw/zinc/30/99/82/299309982.db2.gz QPKWFXSZSIQJHE-AABGKKOBSA-N 2 0 315.505 2.658 20 0 DFADRP C[C@@]1(O)C[C@H]([NH2+][C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)C1 ZINC000417392169 296016244 /nfs/dbraw/zinc/01/62/44/296016244.db2.gz AZADCZJJKDAKDO-WAPOTWQKSA-N 2 0 314.473 2.790 20 0 DFADRP CCO[C@@H]1CCC[NH+](C/C=C/C[N@H+]2CCC[C@H](OCC)C2)C1 ZINC000156103816 398949310 /nfs/dbraw/zinc/94/93/10/398949310.db2.gz LHFHNXKMGWIFEJ-FBLDJFESSA-N 2 0 310.482 2.544 20 0 DFADRP CCC[NH+]1CCC(N[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000078420914 398955270 /nfs/dbraw/zinc/95/52/70/398955270.db2.gz NVUJLODUABRIDG-LJQANCHMSA-N 2 0 301.478 2.725 20 0 DFADRP CN(CCC[NH+]1CCCC1)C(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000281350057 216239477 /nfs/dbraw/zinc/23/94/77/216239477.db2.gz NCCLYBJGLBCESG-UHFFFAOYSA-N 2 0 318.465 2.698 20 0 DFADRP C[C@@H]([NH3+])[C@@H](C)C(=O)Nc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000192104597 200819039 /nfs/dbraw/zinc/81/90/39/200819039.db2.gz NNEYUAOJDJPIML-HUUCEWRRSA-N 2 0 303.450 2.984 20 0 DFADRP C[C@@H]([NH3+])[C@H](C)C(=O)NC[C@H](c1ccccc1)[NH+]1CCC(C)CC1 ZINC000192100608 200819351 /nfs/dbraw/zinc/81/93/51/200819351.db2.gz DIRNCPWXEYFZOT-LZLYRXPVSA-N 2 0 317.477 2.559 20 0 DFADRP C[N@H+]1CC=C(C[NH2+]Cc2ccccc2OC(F)(F)F)CC1 ZINC000271896860 209304810 /nfs/dbraw/zinc/30/48/10/209304810.db2.gz PLYSREJBUNWJQN-UHFFFAOYSA-N 2 0 300.324 2.937 20 0 DFADRP C[C@@H]([NH3+])CCC(=O)NCc1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000193295722 201022619 /nfs/dbraw/zinc/02/26/19/201022619.db2.gz OWICAWGOLMGCQE-JKSUJKDBSA-N 2 0 317.477 2.662 20 0 DFADRP C[C@@H]([NH3+])CCC(=O)NCc1ccccc1C[NH+]1CCC(C)CC1 ZINC000193295604 201023632 /nfs/dbraw/zinc/02/36/32/201023632.db2.gz RZUVKAHYUJELFH-MRXNPFEDSA-N 2 0 317.477 2.662 20 0 DFADRP Cc1c(C[NH+]2CCSCC2)cccc1NC(=O)CC[C@@H](C)[NH3+] ZINC000193307650 201025865 /nfs/dbraw/zinc/02/58/65/201025865.db2.gz XUXIOJTYOUFOKJ-CYBMUJFWSA-N 2 0 321.490 2.610 20 0 DFADRP C[C@@H]([NH2+]C(C)(C)CNC(=O)N[C@@H](C)CCC[NH3+])c1ccccc1 ZINC000417621240 296036318 /nfs/dbraw/zinc/03/63/18/296036318.db2.gz HBKKEPQTQSIEAF-LSDHHAIUSA-N 2 0 320.481 2.542 20 0 DFADRP COC(=O)[C@](C)(C[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1)c1ccccc1 ZINC000600150593 398973300 /nfs/dbraw/zinc/97/33/00/398973300.db2.gz FDHDPVPMYQHFLL-VQIMIIECSA-N 2 0 318.461 2.580 20 0 DFADRP CC[N@H+](Cc1ccc(C(=O)N[C@@H]2CCC[NH2+][C@@H]2C)cc1)C(C)C ZINC000193617078 201087235 /nfs/dbraw/zinc/08/72/35/201087235.db2.gz DSNTYSMVLCXIIF-CRAIPNDOSA-N 2 0 317.477 2.787 20 0 DFADRP CC(C)CCn1cccc1C[NH2+]CCCC[NH+]1CCN(C)CC1 ZINC000161638859 398977058 /nfs/dbraw/zinc/97/70/58/398977058.db2.gz PUDZOPKONVKBCT-UHFFFAOYSA-N 2 0 320.525 2.651 20 0 DFADRP CC[NH+]1CCN([C@H]2CC[N@H+](Cc3ccc(C)c(Cl)c3)C2)CC1 ZINC000193886944 201139446 /nfs/dbraw/zinc/13/94/46/201139446.db2.gz MFTHFVJVIDFQKS-KRWDZBQOSA-N 2 0 321.896 2.860 20 0 DFADRP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC1=CC[NH+](C)CC1 ZINC000271865930 209278442 /nfs/dbraw/zinc/27/84/42/209278442.db2.gz LLEQZWALNBWPFF-FXAWDEMLSA-N 3 0 313.489 2.749 20 0 DFADRP C[C@H](C[NH2+]CC1CC[NH+](CCN(C)C)CC1)c1ccccc1 ZINC000194421532 201224377 /nfs/dbraw/zinc/22/43/77/201224377.db2.gz DYZYYQZHJKBXEP-QGZVFWFLSA-N 2 0 303.494 2.653 20 0 DFADRP CC[NH+]1CCN(CCC[NH2+]CC[C@H](C)c2ccccc2)CC1 ZINC000194551507 201249799 /nfs/dbraw/zinc/24/97/99/201249799.db2.gz LWBPHEZYBUGXII-SFHVURJKSA-N 2 0 303.494 2.797 20 0 DFADRP C[C@H](CC(=O)N[C@@H](CCC[NH3+])c1ccccc1)[C@@H]1CCC[NH2+]C1 ZINC000417823895 296055034 /nfs/dbraw/zinc/05/50/34/296055034.db2.gz ASZLSMPBIJWUFT-NXHRZFHOSA-N 2 0 317.477 2.609 20 0 DFADRP C[NH+](C)CCOc1ccc(C[NH2+]CC2(O)CCCCCC2)cc1 ZINC000605165109 399005575 /nfs/dbraw/zinc/00/55/75/399005575.db2.gz JTBMNHZOTMLLID-UHFFFAOYSA-N 2 0 320.477 2.802 20 0 DFADRP C[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCCN(C(=O)CC[C@@H]2CCC[NH2+]C2)C1 ZINC000621659623 399012548 /nfs/dbraw/zinc/01/25/48/399012548.db2.gz NWVABMFTNVCVAD-XWTMOSNGSA-N 2 0 321.509 2.630 20 0 DFADRP CC[NH+]1CCN([C@H](C)C[NH2+][C@H](c2ccccc2)C2CC2)CC1 ZINC000091285554 193030865 /nfs/dbraw/zinc/03/08/65/193030865.db2.gz JBBPHTANJOCUPZ-VQIMIIECSA-N 2 0 301.478 2.753 20 0 DFADRP [NH3+]C1(CNC(=O)NCCCCC[NH+]2CCCC2)CCCCCC1 ZINC000418214843 296081980 /nfs/dbraw/zinc/08/19/80/296081980.db2.gz JKHYSBQSLGPJQW-UHFFFAOYSA-N 2 0 324.513 2.603 20 0 DFADRP C[C@H](CC(=O)N1CCCCCC1)[NH2+]CC(C)(C)C[NH+]1CCCC1 ZINC000477925947 299364360 /nfs/dbraw/zinc/36/43/60/299364360.db2.gz FDVPHYTYYAUFFM-QGZVFWFLSA-N 2 0 323.525 2.879 20 0 DFADRP CC(C)[N@H+](C)Cc1cccc(CNC(=O)[C@H]2CCCC[NH+]2C)c1 ZINC000606369340 399059372 /nfs/dbraw/zinc/05/93/72/399059372.db2.gz MRWAYZMJXZVUDK-GOSISDBHSA-N 2 0 317.477 2.627 20 0 DFADRP C[NH+]1CCC(O)(C[NH2+][C@H]2CCC[C@@H]2c2ccc(F)cc2)CC1 ZINC000268969081 283939133 /nfs/dbraw/zinc/93/91/33/283939133.db2.gz HVCNEEMRZKBMDN-SJORKVTESA-N 2 0 306.425 2.508 20 0 DFADRP CO[C@@H](C)[C@@H](C)[NH2+]CCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000271781733 209208968 /nfs/dbraw/zinc/20/89/68/209208968.db2.gz LUFCJMSHTOOARB-SJORKVTESA-N 2 0 320.477 2.717 20 0 DFADRP C[NH+](C)Cc1ccc(NC(=O)CC[C@H]2CCCC[N@@H+]2C)cc1 ZINC000479450319 299377581 /nfs/dbraw/zinc/37/75/81/299377581.db2.gz UFEGDQFNWNZPSA-QGZVFWFLSA-N 2 0 303.450 2.951 20 0 DFADRP C[C@@H]([NH2+]CC1(N2CCCCC2)CC[NH+](C)CC1)c1ccncc1 ZINC000174252744 296118658 /nfs/dbraw/zinc/11/86/58/296118658.db2.gz ZKCBSGLOOFVELH-QGZVFWFLSA-N 2 0 316.493 2.683 20 0 DFADRP C[NH+]1CCN(Cc2ccc(C[NH2+][C@H]3CCC34CCC4)cc2)CC1 ZINC000337508674 284076872 /nfs/dbraw/zinc/07/68/72/284076872.db2.gz HJWUXYFUTTVXNX-IBGZPJMESA-N 2 0 313.489 2.856 20 0 DFADRP CC[NH+]1CCC(NC(=O)C[N@H+](C)[C@@H]2CCC[C@@H]2C(C)(C)C)CC1 ZINC000419327190 296134585 /nfs/dbraw/zinc/13/45/85/296134585.db2.gz NIPIJINDBXUYAG-DLBZAZTESA-N 2 0 323.525 2.734 20 0 DFADRP C[NH+](C)Cc1cccc(NC(=O)[C@@H]2C[C@H]3CCCC[C@H]3[NH2+]2)c1 ZINC000261811142 203123498 /nfs/dbraw/zinc/12/34/98/203123498.db2.gz ZRSWQSCREHMQKV-OIISXLGYSA-N 2 0 301.434 2.607 20 0 DFADRP CC[NH+](CC)CCC[C@H](C)NC(=O)[C@H](C)[C@H]([NH3+])c1ccccc1 ZINC000261815677 203124823 /nfs/dbraw/zinc/12/48/23/203124823.db2.gz WEYQOVPDWDYGPG-JZXOWHBKSA-N 2 0 319.493 2.949 20 0 DFADRP CC[NH+](CC)[C@H](CNC(=O)CC[C@@H]1CC[NH2+]C1)c1ccsc1 ZINC000261884764 203144011 /nfs/dbraw/zinc/14/40/11/203144011.db2.gz UXKVMCYWEQHEIV-GDBMZVCRSA-N 2 0 323.506 2.637 20 0 DFADRP COc1cc(C)c(C[N@H+](C)CC2CC[NH+](C)CC2)cc1OC ZINC000093089083 193202129 /nfs/dbraw/zinc/20/21/29/193202129.db2.gz LZBBCJHCWGAATD-UHFFFAOYSA-N 2 0 306.450 2.786 20 0 DFADRP COc1cc2c(c(C[N@H+](C)CC3CC[NH+](C)CC3)c1)O[C@H](C)C2 ZINC000093088642 193202332 /nfs/dbraw/zinc/20/23/32/193202332.db2.gz UWJAGERZWWKOBQ-CQSZACIVSA-N 2 0 318.461 2.792 20 0 DFADRP C[C@H](C[NH3+])C(=O)NCc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000262398248 203283319 /nfs/dbraw/zinc/28/33/19/203283319.db2.gz PCVCFKDKYPQGFZ-OAHLLOKOSA-N 2 0 317.477 2.662 20 0 DFADRP [NH3+]CCCN(Cc1ccccc1)C(=O)CC1(C[NH3+])CCCCC1 ZINC000262467628 203301621 /nfs/dbraw/zinc/30/16/21/203301621.db2.gz OBNWXPBTBFMHHU-UHFFFAOYSA-N 2 0 317.477 2.663 20 0 DFADRP CCC(CC)(CNC(=O)[C@H](C)[C@H](C)[NH3+])[NH2+][C@@H](C)c1ccccc1 ZINC000262511783 203315593 /nfs/dbraw/zinc/31/55/93/203315593.db2.gz DKZAXLRTBKVMQJ-PMPSAXMXSA-N 2 0 319.493 2.996 20 0 DFADRP CCN1C[C@H]([NH2+]CCCc2cc(OC)ccc2OC)[C@@H](C)C1 ZINC000340108641 284152313 /nfs/dbraw/zinc/15/23/13/284152313.db2.gz JSOQDLROKAJDSR-YOEHRIQHSA-N 2 0 306.450 2.566 20 0 DFADRP C[C@@H]([NH2+]Cc1ccc(OCCC[NH+](C)C)cc1)[C@@H]1CCCO1 ZINC000340195650 284157894 /nfs/dbraw/zinc/15/78/94/284157894.db2.gz VGDQNLYQFGCJPQ-QAPCUYQASA-N 2 0 306.450 2.674 20 0 DFADRP CC[NH+](CC)CCO[C@H]1CC[N@H+](Cc2cccc(OC)c2)C1 ZINC000340194242 284157439 /nfs/dbraw/zinc/15/74/39/284157439.db2.gz HPODPHLBURSQNY-SFHVURJKSA-N 2 0 306.450 2.628 20 0 DFADRP Cc1ccc([C@@H]([NH3+])C(=O)NCCCC[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000262631272 203358664 /nfs/dbraw/zinc/35/86/64/203358664.db2.gz HEMJCHOYSNNTFG-SJLPKXTDSA-N 2 0 317.477 2.623 20 0 DFADRP Cc1ccc([C@@H]([NH3+])C(=O)NCCCC[N@H+]2CCCC[C@H]2C)cc1 ZINC000262647007 203363138 /nfs/dbraw/zinc/36/31/38/203363138.db2.gz KGHCUOHUSQLLFM-SJLPKXTDSA-N 2 0 317.477 2.766 20 0 DFADRP Cc1ccc([C@H]([NH3+])C(=O)NC2CC[NH+](C3CCCC3)CC2)cc1 ZINC000262674949 203379071 /nfs/dbraw/zinc/37/90/71/203379071.db2.gz TXPHNNJASWAVLS-SFHVURJKSA-N 2 0 315.461 2.518 20 0 DFADRP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cccc(OCCOC)c2)[C@H](C)C1 ZINC000093638797 193277879 /nfs/dbraw/zinc/27/78/79/193277879.db2.gz SUNYHVCGZXGDOM-APWZRJJASA-N 2 0 320.477 2.874 20 0 DFADRP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2c[nH]nc2-c2cccnc2)[C@H](C)C1 ZINC000093639534 193278173 /nfs/dbraw/zinc/27/81/73/193278173.db2.gz LJWGWSDZTIIHJT-RHSMWYFYSA-N 2 0 313.449 2.634 20 0 DFADRP C[C@@H]1C[NH+](CCC2CC[NH+](Cc3ccco3)CC2)C[C@@H](C)O1 ZINC000093844168 193317185 /nfs/dbraw/zinc/31/71/85/193317185.db2.gz YNJQTGVCCWUYDE-HZPDHXFCSA-N 2 0 306.450 2.991 20 0 DFADRP C[N@H+](CCCc1nc(-c2cccs2)no1)CC(C)(C)C[NH3+] ZINC000093874053 193322394 /nfs/dbraw/zinc/32/23/94/193322394.db2.gz YKJWPDCBMBLSML-UHFFFAOYSA-N 2 0 308.451 2.647 20 0 DFADRP C[NH+]1CCN(c2cccc(Cl)c2C[NH2+]C[C@H]2CC23CC3)CC1 ZINC000419836151 296150015 /nfs/dbraw/zinc/15/00/15/296150015.db2.gz XJQHCBDEQFHWLR-CQSZACIVSA-N 2 0 319.880 2.982 20 0 DFADRP CN1CC[C@H]([NH2+][C@@H]2CCc3nc[nH]c3C2)C[C@H]1c1ccccc1 ZINC000340398394 284180024 /nfs/dbraw/zinc/18/00/24/284180024.db2.gz ZTSGSQGXNXIJNC-GJYPPUQNSA-N 3 0 310.445 2.692 20 0 DFADRP Cc1ncc(C[NH2+]CC2CC[NH+](Cc3ccccc3)CC2)cn1 ZINC000340419962 284183293 /nfs/dbraw/zinc/18/32/93/284183293.db2.gz MAJVLDQLMFWGTJ-UHFFFAOYSA-N 2 0 310.445 2.787 20 0 DFADRP CCOc1cc2[nH+]ccc(N3CCC([NH3+])CC3)c2cc1OCC ZINC000420142903 296159731 /nfs/dbraw/zinc/15/97/31/296159731.db2.gz KXVIRINBYMRTRT-UHFFFAOYSA-N 2 0 315.417 2.960 20 0 DFADRP CN(C)C1(C(=O)Nc2cccc(-c3ncc4n3CCCC4)c2)CC1 ZINC000614054470 399141506 /nfs/dbraw/zinc/14/15/06/399141506.db2.gz QVRPYHYHESKJMU-UHFFFAOYSA-N 2 0 324.428 2.919 20 0 DFADRP Cc1ccccc1C[NH2+]CCN1CC[NH+](Cc2ccccc2)CC1 ZINC000060833559 399144620 /nfs/dbraw/zinc/14/46/20/399144620.db2.gz YVVNKJDQSZFODX-UHFFFAOYSA-N 2 0 323.484 2.902 20 0 DFADRP CCc1c(C)[nH+]c2ccccc2c1N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000420250575 296165733 /nfs/dbraw/zinc/16/57/33/296165733.db2.gz JZABPARPYKBZIB-INIZCTEOSA-N 2 0 324.472 2.590 20 0 DFADRP CCOc1cc2[nH+]ccc(NC[C@H]([NH3+])CC)c2cc1OCC ZINC000420266535 296167488 /nfs/dbraw/zinc/16/74/88/296167488.db2.gz QVKKSUUCFJSTBR-GFCCVEGCSA-N 2 0 303.406 2.603 20 0 DFADRP Cc1ccc2[nH+]ccc(N3C[C@@H](C[NH3+])C4(C3)CCOCC4)c2c1 ZINC000420282328 296169050 /nfs/dbraw/zinc/16/90/50/296169050.db2.gz WKWKFGQNHWMFDL-OAHLLOKOSA-N 2 0 311.429 2.735 20 0 DFADRP C[C@@H](CC[NH+](C)C)NC(=O)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000264894105 204246816 /nfs/dbraw/zinc/24/68/16/204246816.db2.gz KLLMQLQVCRXYMO-INIZCTEOSA-N 2 0 317.477 2.743 20 0 DFADRP CCc1ccccc1NC(=O)[C@H](C)N1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000420291923 296170128 /nfs/dbraw/zinc/17/01/28/296170128.db2.gz ONJBSNYDLWFYBT-YCPHGPKFSA-N 2 0 303.450 2.635 20 0 DFADRP COC(=O)c1cc2cc(C[N@@H+]3CCC[C@H]([C@H](C)[NH3+])C3)ccc2o1 ZINC000420297024 296170794 /nfs/dbraw/zinc/17/07/94/296170794.db2.gz YCPMFRGNESQNRX-JSGCOSHPSA-N 2 0 316.401 2.779 20 0 DFADRP Cc1cccc([C@H]2CCCCC[N@@H+]2CCN2CC[NH2+]CC2)c1 ZINC000420296128 296171053 /nfs/dbraw/zinc/17/10/53/296171053.db2.gz DDERZMFEDCGNLI-LJQANCHMSA-N 2 0 301.478 2.817 20 0 DFADRP CC[N@H+](CC[C@H]1CCC[NH2+]C1)[C@@H]1CCN(c2ccccc2)C1=O ZINC000420301107 296171705 /nfs/dbraw/zinc/17/17/05/296171705.db2.gz LAWNFWLSFRTKOQ-SJLPKXTDSA-N 2 0 315.461 2.504 20 0 DFADRP COc1ccc([C@@H](C[NH3+])C[NH+]2CCC(OCC3CC3)CC2)cc1 ZINC000420300707 296171712 /nfs/dbraw/zinc/17/17/12/296171712.db2.gz KJTLMLNUTGQYKT-KRWDZBQOSA-N 2 0 318.461 2.629 20 0 DFADRP CC(C)[C@@H](CO)[N@H+](CC[C@@H]1CCC[NH2+]C1)Cc1ccccc1 ZINC000420302972 296172023 /nfs/dbraw/zinc/17/20/23/296172023.db2.gz MVBLYMHYHJYWAA-PKOBYXMFSA-N 2 0 304.478 2.895 20 0 DFADRP CCC[N@H+](CC[C@@H]1CCC[NH2+]C1)C[C@@H]1COc2ccccc2O1 ZINC000420304213 296172304 /nfs/dbraw/zinc/17/23/04/296172304.db2.gz LGMVKKCVIBTQKE-DLBZAZTESA-N 2 0 318.461 2.928 20 0 DFADRP CCc1ccccc1CC[N@H+]1CC[C@H](N2CC[NH+](CC)CC2)C1 ZINC000277564645 213622343 /nfs/dbraw/zinc/62/23/43/213622343.db2.gz ASNUKQTXMZMCNG-FQEVSTJZSA-N 2 0 315.505 2.503 20 0 DFADRP C(C[N@@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1)[C@@H]1CCC[NH2+]C1 ZINC000420311581 296173398 /nfs/dbraw/zinc/17/33/98/296173398.db2.gz HEEXICYZOVKXRI-OALUTQOASA-N 3 0 307.526 2.964 20 0 DFADRP C[C@@]1(C[NH3+])CCN(Cc2ccn(-c3ccc(Cl)cc3)n2)C1 ZINC000420310308 296173037 /nfs/dbraw/zinc/17/30/37/296173037.db2.gz GIJBAGXUCSTNIP-INIZCTEOSA-N 2 0 304.825 2.696 20 0 DFADRP [NH3+][C@@H]1CCO[C@H]1C1CC[NH+](C[C@H]2CCCC(F)(F)C2)CC1 ZINC000420322614 296174734 /nfs/dbraw/zinc/17/47/34/296174734.db2.gz AOFAUDYLGXWHMI-CFVMTHIKSA-N 2 0 302.409 2.640 20 0 DFADRP c1cc2c(cc1[C@@H]1CCC[N@H+]1CC[C@@H]1CCC[NH2+]C1)OCCO2 ZINC000420316041 296174090 /nfs/dbraw/zinc/17/40/90/296174090.db2.gz MFRAWUYWBPHUPV-RDJZCZTQSA-N 2 0 316.445 2.984 20 0 DFADRP CC[N@H+](CCN1CC[NH2+]CC1)[C@H](C)c1cc2ccccc2o1 ZINC000420322290 296175017 /nfs/dbraw/zinc/17/50/17/296175017.db2.gz SKEHMPRFPOBUED-OAHLLOKOSA-N 2 0 301.434 2.721 20 0 DFADRP Cc1cccc(C)c1OCC[NH+]1CCC([C@@H]2OCC[C@H]2[NH3+])CC1 ZINC000420323184 296175355 /nfs/dbraw/zinc/17/53/55/296175355.db2.gz AYQIYJJBCWHHDO-MJGOQNOKSA-N 2 0 318.461 2.510 20 0 DFADRP [NH3+][C@@H](Cc1ccccc1)[C@@H](O)C[N@@H+]1CCC[C@@H]1c1cccs1 ZINC000420323975 296175417 /nfs/dbraw/zinc/17/54/17/296175417.db2.gz UUJLLVAPIUQYBL-BBWFWOEESA-N 2 0 316.470 2.816 20 0 DFADRP CN(c1ccccc1)C1CC[NH+](CC[C@@H]2CCC[NH2+]C2)CC1 ZINC000420326623 296175638 /nfs/dbraw/zinc/17/56/38/296175638.db2.gz XRDMOBOHWKIKMX-KRWDZBQOSA-N 2 0 301.478 2.977 20 0 DFADRP C[C@H](c1ccc(-n2cncn2)cc1)[N@H+](C)CC[C@H]1CCC[NH2+]C1 ZINC000420326848 296175716 /nfs/dbraw/zinc/17/57/16/296175716.db2.gz XXJIOFYMEUVELM-HZPDHXFCSA-N 2 0 313.449 2.650 20 0 DFADRP [NH3+][C@@H](Cc1ccccc1)[C@@H](O)C[N@@H+]1CCC[C@H]1C1CCCCC1 ZINC000420327278 296175792 /nfs/dbraw/zinc/17/57/92/296175792.db2.gz YBVXIBJUJOMCHL-UFYCRDLUSA-N 2 0 316.489 2.962 20 0 DFADRP COc1cccc(C[N@H+](CC[C@@H]2CC[NH2+]C2)C[C@H]2CCCO2)c1 ZINC000420328528 296176072 /nfs/dbraw/zinc/17/60/72/296176072.db2.gz ZUPCVOOWLVVSPU-QFBILLFUSA-N 2 0 318.461 2.676 20 0 DFADRP COc1cccc(OCC[NH+]2CCC([C@H]3CCC[NH2+]3)CC2)c1 ZINC000420343054 296177794 /nfs/dbraw/zinc/17/77/94/296177794.db2.gz YLEVUAHUGJUMJX-GOSISDBHSA-N 2 0 304.434 2.538 20 0 DFADRP COc1ccccc1CCC[N@@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000420338267 296177561 /nfs/dbraw/zinc/17/75/61/296177561.db2.gz XPYALCLKRDCOIF-ROUUACIJSA-N 2 0 302.462 2.949 20 0 DFADRP Cc1cc(C)cc(NC(=O)[C@H](C)[N@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)c1 ZINC000420345049 296178237 /nfs/dbraw/zinc/17/82/37/296178237.db2.gz UZDOYQANIKFKPP-YESZJQIVSA-N 2 0 315.461 2.562 20 0 DFADRP c1csc(-c2noc(C[N@@H+]3CCC[C@@H]([C@@H]4CC[NH2+]C4)C3)n2)c1 ZINC000420346036 296178263 /nfs/dbraw/zinc/17/82/63/296178263.db2.gz XGMVXJLNJJNMRG-CHWSQXEVSA-N 2 0 318.446 2.620 20 0 DFADRP Cc1ccc(NC(=O)[C@H](C)[N@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)c(C)c1 ZINC000420347823 296178368 /nfs/dbraw/zinc/17/83/68/296178368.db2.gz ZJTIPDFOTFVOIE-YESZJQIVSA-N 2 0 315.461 2.562 20 0 DFADRP COc1ccc([C@@H](C[NH3+])C[N@@H+]2CCc3ccsc3C2)cc1 ZINC000420358561 296179605 /nfs/dbraw/zinc/17/96/05/296179605.db2.gz JPQQXZYRYJQQSP-HNNXBMFYSA-N 2 0 302.443 2.857 20 0 DFADRP C[C@@H](O)C[N@H+](C[C@@H]1CCC[NH2+]C1)[C@H](C)Cc1ccc(Cl)cc1 ZINC000261886934 296180594 /nfs/dbraw/zinc/18/05/94/296180594.db2.gz XBFWXKYDNYCSQH-BFYDXBDKSA-N 2 0 324.896 2.953 20 0 DFADRP COC(=O)c1cc2cc(C[NH2+][C@H]3CC[NH2+]CC3(C)C)ccc2o1 ZINC000420361665 296180053 /nfs/dbraw/zinc/18/00/53/296180053.db2.gz MKVFNOIPTGUHRV-INIZCTEOSA-N 2 0 316.401 2.697 20 0 DFADRP [NH3+][C@@H]1CCCO[C@H]1C1CC[NH+](CCCc2ccsc2)CC1 ZINC000420370160 296181643 /nfs/dbraw/zinc/18/16/43/296181643.db2.gz CIBJGROXPNKKMZ-SJORKVTESA-N 2 0 308.491 2.899 20 0 DFADRP FC(F)(F)c1ccn([C@H]2CCC[N@H+](CC[C@H]3CC[NH2+]C3)C2)n1 ZINC000420374493 296182347 /nfs/dbraw/zinc/18/23/47/296182347.db2.gz NTSQYBYYYFFJBF-OLZOCXBDSA-N 2 0 316.371 2.538 20 0 DFADRP FC1(F)C[C@@H]1CC[NH2+][C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000622043969 399174843 /nfs/dbraw/zinc/17/48/43/399174843.db2.gz QOJUYIAYTIEGSJ-DUVNUKRYSA-N 2 0 308.372 2.877 20 0 DFADRP [NH3+][C@H]1CCCO[C@H]1C1CC[NH+](CCCOc2ccccc2)CC1 ZINC000420381386 296183731 /nfs/dbraw/zinc/18/37/31/296183731.db2.gz OXSIPXXRZAVMQS-OALUTQOASA-N 2 0 318.461 2.674 20 0 DFADRP COc1ccc(OCC[N@@H+]2CCCC[C@H]2[C@H]2CC[NH2+]C2)cc1 ZINC000420379940 296183639 /nfs/dbraw/zinc/18/36/39/296183639.db2.gz BSKUWZXWVSOLMM-YJBOKZPZSA-N 2 0 304.434 2.538 20 0 DFADRP [NH3+][C@H]1CCCO[C@H]1C1CC[NH+](CCOC2CCCCCC2)CC1 ZINC000420384006 296183859 /nfs/dbraw/zinc/18/38/59/296183859.db2.gz RBUOVWXFIQFHOB-OALUTQOASA-N 2 0 324.509 2.944 20 0 DFADRP [NH3+]C[C@H]1C[N@H+](CCCSc2ccccc2Cl)CCCO1 ZINC000420384215 296184077 /nfs/dbraw/zinc/18/40/77/296184077.db2.gz GDWFNOSCPWJJHX-ZDUSSCGKSA-N 2 0 314.882 2.872 20 0 DFADRP C[C@@H]1CC[N@H+](CCCc2nc(-c3ccccc3)no2)C[C@H]1C[NH3+] ZINC000420385231 296184318 /nfs/dbraw/zinc/18/43/18/296184318.db2.gz SPSRTVKPQJXXFF-GDBMZVCRSA-N 2 0 314.433 2.586 20 0 DFADRP [NH3+][C@@H]1CCCO[C@H]1C1CC[NH+](CCCCC2CCOCC2)CC1 ZINC000420387642 296184500 /nfs/dbraw/zinc/18/45/00/296184500.db2.gz WBZKWSKFYMUAOU-MOPGFXCFSA-N 2 0 324.509 2.802 20 0 DFADRP O=C(CC[N@@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1)Nc1ccc(F)cc1 ZINC000420393070 296185146 /nfs/dbraw/zinc/18/51/46/296185146.db2.gz JJRMWYQEOGONRH-YOEHRIQHSA-N 2 0 319.424 2.618 20 0 DFADRP CC[NH+]1CCN(c2ccc(C[NH2+][C@H](C)[C@H]3CC3(C)C)cn2)CC1 ZINC000486945071 299433012 /nfs/dbraw/zinc/43/30/12/299433012.db2.gz PYMVXMNIEGYNAT-NVXWUHKLSA-N 2 0 316.493 2.748 20 0 DFADRP CC(=O)Nc1cccc(C[N@@H+]2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)c1 ZINC000420402490 296186537 /nfs/dbraw/zinc/18/65/37/296186537.db2.gz QOWUDCNBVBWRFM-SJLPKXTDSA-N 2 0 301.434 2.609 20 0 DFADRP Cc1ccc([C@@H](C)[NH2+]C[C@H](O)[C@@H]([NH3+])Cc2ccccc2)cc1F ZINC000420412158 296187654 /nfs/dbraw/zinc/18/76/54/296187654.db2.gz SEKMSNQLYRGLMV-CCKFTAQKSA-N 2 0 316.420 2.716 20 0 DFADRP CC(C)([NH3+])c1noc(C[NH2+][C@H]2CCC[C@H]2Cc2ccccc2)n1 ZINC000420422273 296188314 /nfs/dbraw/zinc/18/83/14/296188314.db2.gz ZDKMQNZKVVQRIQ-GJZGRUSLSA-N 2 0 314.433 2.764 20 0 DFADRP CC(C)[NH+]1CCC(C(=O)N[C@@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC000618657867 399199267 /nfs/dbraw/zinc/19/92/67/399199267.db2.gz RMJKMERHFPJWFF-QGZVFWFLSA-N 2 0 321.509 2.630 20 0 DFADRP CCC[N@H+](C)CC(=O)NCC1([NH+]2CCCCC2)CCCCC1 ZINC000063755711 399206992 /nfs/dbraw/zinc/20/69/92/399206992.db2.gz VKAJTOAHLSXSRA-UHFFFAOYSA-N 2 0 309.498 2.633 20 0 DFADRP CC[N@H+](CC(=O)NC[C@H](c1ccccc1)[NH+](C)C)[C@@H](C)C(C)C ZINC000157860640 284399061 /nfs/dbraw/zinc/39/90/61/284399061.db2.gz RJYKGRBRXNDAJI-FUHWJXTLSA-N 2 0 319.493 2.772 20 0 DFADRP CC[N@H+](CC(=O)NC[C@H](c1ccccc1)[NH+](C)C)[C@H](C)C(C)C ZINC000249357250 284399542 /nfs/dbraw/zinc/39/95/42/284399542.db2.gz RJYKGRBRXNDAJI-SJLPKXTDSA-N 2 0 319.493 2.772 20 0 DFADRP C[NH+](C)CCCOc1cnccc1C[NH2+]Cc1ccc(F)cc1 ZINC000288546935 220225081 /nfs/dbraw/zinc/22/50/81/220225081.db2.gz LDTPZCVSOXFOSO-UHFFFAOYSA-N 2 0 317.408 2.841 20 0 DFADRP O=C(N[C@H]1CC[N@@H+](C2CC2)C1)c1ccc(Nc2cc[nH+]cc2)cc1 ZINC000081292940 399223780 /nfs/dbraw/zinc/22/37/80/399223780.db2.gz FUOLRHZRBMLYDY-KRWDZBQOSA-N 2 0 322.412 2.792 20 0 DFADRP C[N@H+](CCC(F)(F)F)Cc1ccc(CN2CCOCC2)cc1 ZINC000420909489 296210834 /nfs/dbraw/zinc/21/08/34/296210834.db2.gz YSAAVWKNMVADRJ-UHFFFAOYSA-N 2 0 316.367 2.903 20 0 DFADRP CC[NH+](CC)Cc1ccc(C(=O)N2CC[C@@H]([NH+](CC)CC)C2)o1 ZINC000608226213 399244259 /nfs/dbraw/zinc/24/42/59/399244259.db2.gz HVDUCZWMWAAAHF-OAHLLOKOSA-N 2 0 321.465 2.678 20 0 DFADRP CC[NH+]1CCC(N2CCC[N@H+](CCc3ccccc3)CC2)CC1 ZINC000420982076 296220726 /nfs/dbraw/zinc/22/07/26/296220726.db2.gz OONNZRJHLLSYOG-UHFFFAOYSA-N 2 0 315.505 2.721 20 0 DFADRP CC[N@@H+]1CCC[C@H]1CN(C)C(=O)[C@H]1CCCC[NH+]1C1CCCC1 ZINC000622408572 399252004 /nfs/dbraw/zinc/25/20/04/399252004.db2.gz CPNQDGUCZMRFCF-ZWKOTPCHSA-N 2 0 321.509 2.726 20 0 DFADRP C[NH+](C)C1CCC([NH2+]Cc2cncc(Br)c2)CC1 ZINC000421369567 296249414 /nfs/dbraw/zinc/24/94/14/296249414.db2.gz ICVNTGNLICYHTK-UHFFFAOYSA-N 2 0 312.255 2.807 20 0 DFADRP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+]C1CCC([NH+](C)C)CC1 ZINC000421374468 296250006 /nfs/dbraw/zinc/25/00/06/296250006.db2.gz OZFLYNKYBYMCHU-UHFFFAOYSA-N 3 0 313.449 2.538 20 0 DFADRP CC[NH+]1CCC(N2CCC[N@H+](C[C@@H]3CC=CCC3)CC2)CC1 ZINC000421376905 296250381 /nfs/dbraw/zinc/25/03/81/296250381.db2.gz REJVBSMYSZQDRX-GOSISDBHSA-N 2 0 305.510 2.835 20 0 DFADRP C[NH+](C)C1CCC([NH2+]Cc2cc(-n3ccnc3)cs2)CC1 ZINC000421380232 296250705 /nfs/dbraw/zinc/25/07/05/296250705.db2.gz XTBDCWZLXVXUEI-UHFFFAOYSA-N 2 0 304.463 2.896 20 0 DFADRP CON1CCC([NH2+]C2CC[NH+]([C@H]3CCCC[C@H]3C)CC2)CC1 ZINC000421402383 296252962 /nfs/dbraw/zinc/25/29/62/296252962.db2.gz VSKPWIDEEOPPMG-QAPCUYQASA-N 2 0 309.498 2.645 20 0 DFADRP COc1ccc([C@H](C)[NH2+]CCCC[NH3+])cc1Br ZINC000037715433 182919621 /nfs/dbraw/zinc/91/96/21/182919621.db2.gz SEIVNCOKFYQSMT-JTQLQIEISA-N 2 0 301.228 2.847 20 0 DFADRP Cc1ccc([C@H](C)[NH2+]C[C@@H](C(C)C)N2CC[NH+](C)CC2)s1 ZINC000040770021 183131111 /nfs/dbraw/zinc/13/11/11/183131111.db2.gz YPCALOIHMMHCKO-HOTGVXAUSA-N 2 0 309.523 2.979 20 0 DFADRP CC[N@H+](CC(=O)N1CCC2(CCC([NH+](C)C)CC2)CC1)C1CC1 ZINC000615443601 399337462 /nfs/dbraw/zinc/33/74/62/399337462.db2.gz JCKQMARVUWVGDG-UHFFFAOYSA-N 2 0 321.509 2.584 20 0 DFADRP CC1(C)CC[C@H]1[NH2+]Cc1ccccc1C[NH+]1CCC(O)CC1 ZINC000284449712 218031865 /nfs/dbraw/zinc/03/18/65/218031865.db2.gz SLNXRSJVABZHPA-GOSISDBHSA-N 2 0 302.462 2.922 20 0 DFADRP C[N@H+](CCCNC(=O)c1ccc2c[nH+]cn2c1)Cc1ccccc1 ZINC000284453392 218033500 /nfs/dbraw/zinc/03/35/00/218033500.db2.gz ILZRRNCXCQNKSR-UHFFFAOYSA-N 2 0 322.412 2.586 20 0 DFADRP CCC[NH+]1CCC(N[C@@H](C[NH+](C)C)c2ccc(OC)cc2)CC1 ZINC000284500802 218054346 /nfs/dbraw/zinc/05/43/46/218054346.db2.gz XPUPWSCSFBCPBV-IBGZPJMESA-N 2 0 319.493 2.762 20 0 DFADRP CC(C)[N@H+](CC(=O)NC1CC[NH+](C2CC2)CC1)C1CCCCC1 ZINC000104682050 194025806 /nfs/dbraw/zinc/02/58/06/194025806.db2.gz LLDKLPPHXRYCBX-UHFFFAOYSA-N 2 0 321.509 2.773 20 0 DFADRP CC[N@H+](C)[C@H](C(=O)NCC[NH+](C)C1CCCC1)c1ccccc1 ZINC000104928057 194053169 /nfs/dbraw/zinc/05/31/69/194053169.db2.gz BYUPGUYLORTYIE-SFHVURJKSA-N 2 0 317.477 2.670 20 0 DFADRP CN(C)[C@H](C[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1)c1cccc(F)c1 ZINC000623336029 399365801 /nfs/dbraw/zinc/36/58/01/399365801.db2.gz RGROPLDXIMPBSH-DLBZAZTESA-N 2 0 307.457 2.891 20 0 DFADRP C[NH+](C)CCOc1cccc(C[NH2+]Cc2cccc3n[nH]cc32)c1 ZINC000623361451 399372164 /nfs/dbraw/zinc/37/21/64/399372164.db2.gz CRZILGVNVPYVSP-UHFFFAOYSA-N 2 0 324.428 2.793 20 0 DFADRP CC[NH+](CC)[C@@H](CNC(=O)C1([NH3+])CCCCC1)c1ccccc1 ZINC000236819094 284766561 /nfs/dbraw/zinc/76/65/61/284766561.db2.gz YXWPSNHTFFXUKF-KRWDZBQOSA-N 2 0 317.477 2.847 20 0 DFADRP C[NH+](C)CCOc1ccc(CN[C@@H]2CC[N@H+](C)C(C)(C)C2)cc1 ZINC000623361829 399373176 /nfs/dbraw/zinc/37/31/76/399373176.db2.gz RILZAEZZJXCXCN-QGZVFWFLSA-N 2 0 319.493 2.589 20 0 DFADRP CC[NH+](CC)[C@@H](CNC(=O)[C@](C)([NH3+])c1ccccc1)CC(C)C ZINC000192515321 284772212 /nfs/dbraw/zinc/77/22/12/284772212.db2.gz RACUFFPRJUBFPL-IEBWSBKVSA-N 2 0 319.493 2.733 20 0 DFADRP Cc1cc(C[NH2+]CC2CC[NH+](C)CC2)ncc1Br ZINC000623404379 399381386 /nfs/dbraw/zinc/38/13/86/399381386.db2.gz ZQLMVCXCPUDGSQ-UHFFFAOYSA-N 2 0 312.255 2.584 20 0 DFADRP COc1ccc(C[NH2+]C[C@H]2CCC[N@H+](C)C2)cc1OC1CC1 ZINC000623410875 399382710 /nfs/dbraw/zinc/38/27/10/399382710.db2.gz JMWGDMOQEWJTMD-OAHLLOKOSA-N 2 0 304.434 2.668 20 0 DFADRP COC(=O)CCC[C@H]1CCC[C@H]([NH2+][C@H]2CC[C@H](C[NH3+])CC2)C1 ZINC000602021513 399385894 /nfs/dbraw/zinc/38/58/94/399385894.db2.gz PBIKOUKIOIRURV-VQHPVUNQSA-N 2 0 310.482 2.996 20 0 DFADRP COc1ccccc1O[C@@H](C)C[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623433537 399388791 /nfs/dbraw/zinc/38/87/91/399388791.db2.gz NWVDYTFPYHNPQE-LSDHHAIUSA-N 2 0 306.450 2.925 20 0 DFADRP c1cc(C[N@@H+]2CC3(CC[NH2+]CC3)[C@@H]3COC[C@@H]32)cc(C2CC2)c1 ZINC000422550662 296311712 /nfs/dbraw/zinc/31/17/12/296311712.db2.gz BQSMZUCROZTMQZ-MOPGFXCFSA-N 2 0 312.457 2.764 20 0 DFADRP COc1cc(NCC[NH2+][C@H]2CC[N@H+](C)C(C)(C)C2)cc(OC)c1 ZINC000623470633 399397011 /nfs/dbraw/zinc/39/70/11/399397011.db2.gz UKJVLQVNNOWUTB-AWEZNQCLSA-N 2 0 321.465 2.578 20 0 DFADRP CC[N@@H+]1CC[C@@H]([NH2+]CCc2nc3c(cccc3C)o2)[C@@H](C)C1 ZINC000268880114 207050975 /nfs/dbraw/zinc/05/09/75/207050975.db2.gz AVTXGMAJRMSZNU-LSDHHAIUSA-N 2 0 301.434 2.999 20 0 DFADRP CC[C@H](CCO)C[NH2+][C@H](C)c1cccc(OCC[NH+](C)C)c1 ZINC000268898167 207066906 /nfs/dbraw/zinc/06/69/06/207066906.db2.gz BBYQWMDZCYEUFM-HZPDHXFCSA-N 2 0 308.466 2.686 20 0 DFADRP Cn1c2ccccc2nc1CC[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000268901182 207068756 /nfs/dbraw/zinc/06/87/56/207068756.db2.gz UNBKSCSTAHHRMH-WBVHZDCISA-N 2 0 312.461 2.532 20 0 DFADRP C[NH+](C)CCCC[NH2+][C@@H](c1ccc(F)cc1)c1cnccn1 ZINC000346450371 284861386 /nfs/dbraw/zinc/86/13/86/284861386.db2.gz VNGIFGAYXYEOFU-KRWDZBQOSA-N 2 0 302.397 2.637 20 0 DFADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1N[C@@H]1CC[NH+](C)C(C)(C)C1 ZINC000623493628 399401108 /nfs/dbraw/zinc/40/11/08/399401108.db2.gz LWLRJFCVDHNIGW-QRQLOZEOSA-N 2 0 315.505 2.969 20 0 DFADRP CCOc1cc(C[NH2+][C@H](C)C[C@@H](C)[NH3+])ccc1OC(F)F ZINC000422695929 296318271 /nfs/dbraw/zinc/31/82/71/296318271.db2.gz QPRCBJVVILHYJC-GHMZBOCLSA-N 2 0 302.365 2.902 20 0 DFADRP COCCC[C@H](C)[NH2+]CCc1ccc(OCC[NH+](C)C)cc1 ZINC000268914946 207082623 /nfs/dbraw/zinc/08/26/23/207082623.db2.gz UWWYQSXHQYOURT-INIZCTEOSA-N 2 0 308.466 2.574 20 0 DFADRP COc1ccc(CC[NH2+][C@H](C)c2ccc(C[NH3+])nc2C)cc1F ZINC000422702052 296318588 /nfs/dbraw/zinc/31/85/88/296318588.db2.gz CZGFABVUPZYWMP-GFCCVEGCSA-N 2 0 317.408 2.890 20 0 DFADRP CC(C)CC(=O)Nc1cccc(C[NH2+][C@@H]2CCC[NH2+]CC2)c1 ZINC000422701249 296318623 /nfs/dbraw/zinc/31/86/23/296318623.db2.gz CZGGNHSFJBWMJF-MRXNPFEDSA-N 2 0 303.450 2.903 20 0 DFADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]CCCCNc1ccccn1 ZINC000422701775 296318627 /nfs/dbraw/zinc/31/86/27/296318627.db2.gz JFPUTRGRUJSALV-CQSZACIVSA-N 2 0 313.449 2.787 20 0 DFADRP CC(C)[C@@H](C)[NH2+]Cc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000156902962 197148908 /nfs/dbraw/zinc/14/89/08/197148908.db2.gz FIEJPSRNSGASSL-QAPCUYQASA-N 2 0 317.477 2.518 20 0 DFADRP C[C@H](NCC(C)(C)[N@@H+]1CCc2ccccc2C1)[C@@H]1CCCC[NH2+]1 ZINC000422703003 296318649 /nfs/dbraw/zinc/31/86/49/296318649.db2.gz MBKUKWORVDMOFE-LPHOPBHVSA-N 2 0 315.505 2.944 20 0 DFADRP CC[C@H](C)[C@H](O)C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000268922004 207088324 /nfs/dbraw/zinc/08/83/24/207088324.db2.gz XBJSOXOPGOYOCB-RNIPGJKVSA-N 2 0 304.478 2.894 20 0 DFADRP CC[NH+](CC)C[C@H](C)N[C@@H](c1ccc(OC)cc1)[C@@H]1CCC[NH2+]1 ZINC000422707777 296319513 /nfs/dbraw/zinc/31/95/13/296319513.db2.gz AWGXVEGPOXTXAC-SNRMKQJTSA-N 2 0 319.493 2.808 20 0 DFADRP C[C@H](C[NH2+][C@@H]1CCCCC[C@@H]1[NH3+])N1CCc2sccc2C1 ZINC000422707590 296319295 /nfs/dbraw/zinc/31/92/95/296319295.db2.gz AMYNXHBRSBOMAF-VNQPRFMTSA-N 2 0 307.507 2.744 20 0 DFADRP COc1ccccc1[C@H](CNC1CC[NH2+]CC1)[NH+]1CCCCC1 ZINC000422706804 296319323 /nfs/dbraw/zinc/31/93/23/296319323.db2.gz FZPWKLKIIPQXRO-SFHVURJKSA-N 2 0 317.477 2.564 20 0 DFADRP CC(C)N(C(=O)[C@@H](C)[NH+]1CCC(CC[NH+](C)C)CC1)C(C)C ZINC000056524051 184015063 /nfs/dbraw/zinc/01/50/63/184015063.db2.gz HAZWHNRYFADUBC-MRXNPFEDSA-N 2 0 311.514 2.684 20 0 DFADRP C[C@H](CN[C@H]1CC[NH2+][C@@H](c2ccccc2)C1)C[NH+]1CCCC1 ZINC000422710031 296319726 /nfs/dbraw/zinc/31/97/26/296319726.db2.gz DSNSPDSXRKRWQH-NZSAHSFTSA-N 2 0 301.478 2.801 20 0 DFADRP C[C@@H]([NH2+]CCc1cc(Br)ccc1F)[C@H]1CC[NH2+]C1 ZINC000422709952 296319758 /nfs/dbraw/zinc/31/97/58/296319758.db2.gz ZZSHXKIGBUAWDW-PWSUYJOCSA-N 2 0 315.230 2.718 20 0 DFADRP C[C@@H](NCc1ccc(OCCC[NH+](C)C)cc1)[C@H]1CCCC[NH2+]1 ZINC000422710536 296319796 /nfs/dbraw/zinc/31/97/96/296319796.db2.gz GAJNMVHSFXCNHZ-VQIMIIECSA-N 2 0 319.493 2.637 20 0 DFADRP CCC(CC)C(=O)N1CCC([NH2+][C@@H]2CCCC[C@H]2C[NH3+])CC1 ZINC000422712118 296320016 /nfs/dbraw/zinc/32/00/16/296320016.db2.gz GKJQXBDLMCXRJC-DOTOQJQBSA-N 2 0 309.498 2.521 20 0 DFADRP C[NH+](C)CCCOc1ccc(C[NH2+][C@@H]2CCCC[C@H]2C[NH3+])cc1 ZINC000422714133 296320670 /nfs/dbraw/zinc/32/06/70/296320670.db2.gz KQWACNFDXJCZRU-PKOBYXMFSA-N 3 0 319.493 2.624 20 0 DFADRP CCOc1c(Cl)cc(C[NH2+][C@H](C)C[C@H](C)[NH3+])cc1OC ZINC000422724122 296321688 /nfs/dbraw/zinc/32/16/88/296321688.db2.gz UORYHFZCZDOYKY-WDEREUQCSA-N 2 0 300.830 2.963 20 0 DFADRP CC[NH+]1CCN(c2ccc(C[NH2+][C@H](C)CCC3CC3)cn2)CC1 ZINC000346522785 284880635 /nfs/dbraw/zinc/88/06/35/284880635.db2.gz DUQJZGQCIUPPJS-MRXNPFEDSA-N 2 0 316.493 2.892 20 0 DFADRP COc1ccc(CCC[NH2+][C@H](C)[C@H]2CCCC[NH2+]2)cc1OC ZINC000422724392 296321797 /nfs/dbraw/zinc/32/17/97/296321797.db2.gz VNOUEBLWAVHPHS-GDBMZVCRSA-N 2 0 306.450 2.757 20 0 DFADRP C[C@@H]([NH2+]Cc1ccc(NC(=O)c2ccco2)cc1)[C@H]1CC[NH2+]C1 ZINC000422720067 296321226 /nfs/dbraw/zinc/32/12/26/296321226.db2.gz RZGRYAOBLRDMOT-HIFRSBDPSA-N 2 0 313.401 2.620 20 0 DFADRP CN(C)c1c(C[NH2+]CCCC[N@H+](C)C2CC2)ccc(F)c1F ZINC000623544603 399412989 /nfs/dbraw/zinc/41/29/89/399412989.db2.gz AUGVCFGJLDAXGE-UHFFFAOYSA-N 2 0 311.420 2.995 20 0 DFADRP C[C@H]([NH2+]Cc1ccc(NC(=O)c2ccco2)cc1)[C@@H]1CC[NH2+]C1 ZINC000422720065 296321477 /nfs/dbraw/zinc/32/14/77/296321477.db2.gz RZGRYAOBLRDMOT-DZGCQCFKSA-N 2 0 313.401 2.620 20 0 DFADRP OCCCC[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000268959278 207123174 /nfs/dbraw/zinc/12/31/74/207123174.db2.gz FGBNSKYQCUISOZ-RTBURBONSA-N 2 0 302.462 2.745 20 0 DFADRP C[C@@H]([NH2+]Cc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1)[C@@H]1C[C@H]1C1CC1 ZINC000623563633 399417061 /nfs/dbraw/zinc/41/70/61/399417061.db2.gz FFKFCFCJEDZTPX-FCDRMGDPSA-N 2 0 314.473 2.777 20 0 DFADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@@H](O)c2ccc(OC(C)C)cc2)[C@H](C)C1 ZINC000268971028 207134595 /nfs/dbraw/zinc/13/45/95/207134595.db2.gz ZYBQGBDIXFVIHQ-AYOQOUSVSA-N 2 0 320.477 2.827 20 0 DFADRP [NH3+]C[C@H]1CCC[C@@H]1[NH2+]C1CCN(Cc2ccc(F)cc2)CC1 ZINC000422725449 296322160 /nfs/dbraw/zinc/32/21/60/296322160.db2.gz YAQJEVBSMVYGNP-QAPCUYQASA-N 2 0 305.441 2.507 20 0 DFADRP C(C1CC1)[NH+]1CCC(N[C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)CC1 ZINC000422724956 296322175 /nfs/dbraw/zinc/32/21/75/296322175.db2.gz XGNKLAZNZUPRSL-IPMKNSEASA-N 2 0 305.510 2.761 20 0 DFADRP COc1cccc([C@@H](C[NH2+][C@H]2CC[N@H+](C)C(C)(C)C2)OC)c1 ZINC000623587415 399422938 /nfs/dbraw/zinc/42/29/38/399422938.db2.gz PZVCPENPSMDNPJ-DOTOQJQBSA-N 2 0 306.450 2.845 20 0 DFADRP CCOC(=O)C1([C@H](C)[NH2+][C@@H]2CC[C@@H](C)C[C@@H]2C)CC[NH2+]CC1 ZINC000422729583 296322760 /nfs/dbraw/zinc/32/27/60/296322760.db2.gz KYCMLAYLODULQY-FXUDXRNXSA-N 2 0 310.482 2.722 20 0 DFADRP CS[C@@H]1CCCC[N@H+](C[C@@H](O)CN(C)Cc2ccccc2)C1 ZINC000610990458 399424782 /nfs/dbraw/zinc/42/47/82/399424782.db2.gz PBFUELYTWCWPPF-ZWKOTPCHSA-N 2 0 322.518 2.697 20 0 DFADRP O[C@H]1CCC[C@H]1[NH+]1CCC([NH2+]Cc2cccc3[nH]ccc32)CC1 ZINC000268988906 207147097 /nfs/dbraw/zinc/14/70/97/207147097.db2.gz UWJVNLSEZFMZTH-MOPGFXCFSA-N 2 0 313.445 2.635 20 0 DFADRP C[C@@H]1CC[NH2+]CC[C@@H]1NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000422731446 296323073 /nfs/dbraw/zinc/32/30/73/296323073.db2.gz LRVWARKICLOGSJ-PMPSAXMXSA-N 2 0 307.507 2.863 20 0 DFADRP C[C@H]([NH3+])[C@@H]1COCC[C@H]1[NH2+]Cc1ccc(Cl)cc1Cl ZINC000422730818 296323077 /nfs/dbraw/zinc/32/30/77/296323077.db2.gz KLNCBNWGPUKXAG-DUFXMDAXSA-N 2 0 303.233 2.835 20 0 DFADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]CC1(C(=O)N(C)C)CCCC1 ZINC000422730584 296323137 /nfs/dbraw/zinc/32/31/37/296323137.db2.gz MFPLCUHMLAPTOE-CVEARBPZSA-N 2 0 309.498 2.535 20 0 DFADRP C[C@H](CC[NH+](C)C)[NH2+][C@@H](C)c1cccc(N2CCOCC2)c1 ZINC000268995760 207151361 /nfs/dbraw/zinc/15/13/61/207151361.db2.gz KNCHSFQGNYBWIP-CVEARBPZSA-N 2 0 305.466 2.514 20 0 DFADRP COc1ccc([C@H](NC[C@H](C)[N@H+](C)C2CC2)[C@H]2CCC[NH2+]2)cc1 ZINC000422732688 296323405 /nfs/dbraw/zinc/32/34/05/296323405.db2.gz AGZUIQWGJOUJIN-KYNGSXCRSA-N 2 0 317.477 2.561 20 0 DFADRP CC(C)[NH+]1CCC(O)(C[NH2+][C@@H](C)CCc2ccccc2)CC1 ZINC000269003014 207157314 /nfs/dbraw/zinc/15/73/14/207157314.db2.gz KALUFGSJEDJXFD-KRWDZBQOSA-N 2 0 304.478 2.833 20 0 DFADRP CCc1ccc([C@H](C[NH2+][C@H]2CC[NH2+]CC[C@@H]2C)N(C)C)cc1 ZINC000422732796 296323506 /nfs/dbraw/zinc/32/35/06/296323506.db2.gz PIOJTJBBZBTAIF-SNRMKQJTSA-N 2 0 303.494 2.829 20 0 DFADRP CO[C@H](C[NH2+][C@H](C)c1cccc(OCC[NH+](C)C)c1)C(C)C ZINC000269011556 207162736 /nfs/dbraw/zinc/16/27/36/207162736.db2.gz XNQLOJZECYAILT-CRAIPNDOSA-N 2 0 308.466 2.949 20 0 DFADRP CC[C@H](CCO)C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000269030094 207179140 /nfs/dbraw/zinc/17/91/40/207179140.db2.gz DLKZJJCTIDWZAV-YQVWRLOYSA-N 2 0 304.478 2.895 20 0 DFADRP COCCOc1ccc(C[NH2+]C[C@@H]2CCCC[N@H+](C)C2)cc1 ZINC000623655619 399435665 /nfs/dbraw/zinc/43/56/65/399435665.db2.gz ALSNUPWNGFMPSC-KRWDZBQOSA-N 2 0 306.450 2.533 20 0 DFADRP C[N@@H+]1CCCC[C@@H](CNC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000623656493 399437252 /nfs/dbraw/zinc/43/72/52/399437252.db2.gz VJKLZAZKHDHVJD-IBGZPJMESA-N 2 0 315.505 2.973 20 0 DFADRP CC(C)[NH+]1CCC(O)(C[NH2+][C@@H](C)CCc2cccc(F)c2)CC1 ZINC000269042591 207190683 /nfs/dbraw/zinc/19/06/83/207190683.db2.gz XKJJLCZDMZXXDV-INIZCTEOSA-N 2 0 322.468 2.972 20 0 DFADRP C[C@@H]([NH2+]CCCC[NH+](C)C)c1ccc(N2CCCC2=O)cc1 ZINC000269065810 207213881 /nfs/dbraw/zinc/21/38/81/207213881.db2.gz YWOCKMRNRSOURA-OAHLLOKOSA-N 2 0 303.450 2.806 20 0 DFADRP CCO[C@@H](CC[NH+](C)C)C[NH2+][C@H](C)c1cc(OC)ccc1OC ZINC000269097091 207237664 /nfs/dbraw/zinc/23/76/64/207237664.db2.gz SDQJBESLWCDXDD-ZBFHGGJFSA-N 2 0 324.465 2.711 20 0 DFADRP C[N@@H+]1CCC[C@@H]1CCN1CCC[NH+](Cc2ccccc2)CC1 ZINC000269138682 207270434 /nfs/dbraw/zinc/27/04/34/207270434.db2.gz XKFFKVKODPENBM-LJQANCHMSA-N 2 0 301.478 2.679 20 0 DFADRP C[C@@H](NC1CC[NH+]([C@@H](C)c2ccccc2)CC1)[C@H]1CCC[NH2+]1 ZINC000422740927 296324372 /nfs/dbraw/zinc/32/43/72/296324372.db2.gz COMRGTMJROEHHE-JTDSTZFVSA-N 2 0 301.478 2.942 20 0 DFADRP C[C@H]([NH3+])[C@H]1COCC[C@@H]1[NH2+]CC(C)(C)c1ccc(Cl)cc1 ZINC000422736587 296323907 /nfs/dbraw/zinc/32/39/07/296323907.db2.gz YFKMDXPHCGNALQ-MAZHCROVSA-N 2 0 310.869 2.960 20 0 DFADRP [NH3+][C@@H]1CCCCC[C@@H]1NC[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000422738253 296324007 /nfs/dbraw/zinc/32/40/07/296324007.db2.gz JHQXRVVPMJVKCY-QRVBRYPASA-N 2 0 301.478 2.901 20 0 DFADRP CC(C)[N@@H+]1CCC[C@@H](CN[C@@H](Cc2ccccc2)[C@H](C)[NH3+])C1 ZINC000422737171 296324091 /nfs/dbraw/zinc/32/40/91/296324091.db2.gz HTHPVWXBKKSOJW-WDSOQIARSA-N 2 0 303.494 2.655 20 0 DFADRP C[C@H](C[C@H]1CCCCC[NH2+]1)NCC1([NH+]2CCCC2)CCOCC1 ZINC000422743252 296325063 /nfs/dbraw/zinc/32/50/63/296325063.db2.gz REWKESPEYZNSMH-QZTJIDSGSA-N 2 0 323.525 2.532 20 0 DFADRP CC[C@H](NCc1ccc(F)c(C[NH+](C)C)c1)[C@H]1CCCC[NH2+]1 ZINC000422742453 296324765 /nfs/dbraw/zinc/32/47/65/296324765.db2.gz GPNPCLMZNHAOEE-ZWKOTPCHSA-N 2 0 307.457 2.898 20 0 DFADRP CC(C)COc1ccccc1C[NH2+][C@@H]1CCOC[C@H]1[C@H](C)[NH3+] ZINC000422744151 296324814 /nfs/dbraw/zinc/32/48/14/296324814.db2.gz VOSZEAKXKUCFCD-BHYGNILZSA-N 2 0 306.450 2.563 20 0 DFADRP Cc1c2ccccc2oc1C[NH2+][C@@H]1CCOC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000422748660 296325705 /nfs/dbraw/zinc/32/57/05/296325705.db2.gz VNMZENDKAWQZTN-YESZJQIVSA-N 2 0 314.429 2.988 20 0 DFADRP C[C@H](c1ccccc1)[NH+]1CCC(N[C@@H](C)[C@@H]2CC[NH2+]C2)CC1 ZINC000422748215 296325831 /nfs/dbraw/zinc/32/58/31/296325831.db2.gz SMYCUJVTCAWIBB-LZLYRXPVSA-N 2 0 301.478 2.800 20 0 DFADRP CCOC(=O)C1([C@H](C)[NH2+][C@@H](C)c2ccccc2)CC[NH2+]CC1 ZINC000422749293 296326085 /nfs/dbraw/zinc/32/60/85/296326085.db2.gz YKQMSPQGNHHOPM-GJZGRUSLSA-N 2 0 304.434 2.659 20 0 DFADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+][C@H]1CCCN(c2cccc(F)c2)C1 ZINC000422750581 296326090 /nfs/dbraw/zinc/32/60/90/296326090.db2.gz AAYXPSMRCALANW-UWWQBHOKSA-N 2 0 305.441 2.772 20 0 DFADRP Cc1nc2ccccc2n1CCC[NH2+][C@@H](C)[C@H]1CCCC[NH2+]1 ZINC000422756033 296327254 /nfs/dbraw/zinc/32/72/54/296327254.db2.gz KZBGADYVDGGGMV-GOEBONIOSA-N 2 0 300.450 2.855 20 0 DFADRP CC(C)OCCC[NH2+][C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422754183 296327385 /nfs/dbraw/zinc/32/73/85/296327385.db2.gz GQUHILXYLKHANN-FUHWJXTLSA-N 2 0 304.434 2.647 20 0 DFADRP COC[C@@H](CCC[NH3+])[NH2+]CCSc1ccc(Cl)cc1 ZINC000422759655 296328195 /nfs/dbraw/zinc/32/81/95/296328195.db2.gz FYBKNLYMLDAFRU-CYBMUJFWSA-N 2 0 302.871 2.776 20 0 DFADRP COc1ccc(OC)c(CC[NH2+][C@@H]2C[C@@H]([NH3+])c3ccccc32)c1 ZINC000422761095 296328341 /nfs/dbraw/zinc/32/83/41/296328341.db2.gz MMJJOHNAOKJDOQ-QZTJIDSGSA-N 2 0 312.413 2.981 20 0 DFADRP Fc1cccc(C2(C[NH2+][C@@H]3CCOC[C@H]3[C@@H]3CCC[NH2+]3)CC2)c1 ZINC000422756361 296327642 /nfs/dbraw/zinc/32/76/42/296327642.db2.gz CFMVPGHHNNOVSY-OKZBNKHCSA-N 2 0 318.436 2.604 20 0 DFADRP CC[C@@H](CCc1ccccc1)[NH2+]CCCN1CC[NH+](C)CC1 ZINC000623853970 399480195 /nfs/dbraw/zinc/48/01/95/399480195.db2.gz NHNMJCJSUFPVLW-IBGZPJMESA-N 2 0 303.494 2.625 20 0 DFADRP COc1ccc([C@H](CN[C@@H](C)[C@H]2CCC[NH2+]2)[NH+]2CCCC2)cc1 ZINC000422760930 296328535 /nfs/dbraw/zinc/32/85/35/296328535.db2.gz QPVOQDTUGKYOIJ-IPELMVKDSA-N 2 0 317.477 2.562 20 0 DFADRP C[C@H]([NH3+])C[C@H](C)NCC1([NH2+][C@@H](C)c2ccccc2)CCOCC1 ZINC000422761743 296328548 /nfs/dbraw/zinc/32/85/48/296328548.db2.gz METNSPOGJHGCKR-ULQDDVLXSA-N 2 0 319.493 2.602 20 0 DFADRP Clc1cccc(C2(C[NH2+]C3CC[NH2+]CC3)CCOCC2)c1 ZINC000422764451 296329129 /nfs/dbraw/zinc/32/91/29/296329129.db2.gz PQEXTNHJYQDELZ-UHFFFAOYSA-N 2 0 308.853 2.730 20 0 DFADRP CCOc1ccc(CC[NH2+][C@H]2CCC[NH2+]CC2)cc1OCC ZINC000422764003 296329297 /nfs/dbraw/zinc/32/92/97/296329297.db2.gz PFMHVAJTDYYDOZ-INIZCTEOSA-N 2 0 306.450 2.758 20 0 DFADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]CCN1c2ccccc2C[C@@H]1C ZINC000422764408 296329419 /nfs/dbraw/zinc/32/94/19/296329419.db2.gz OLWQHUQUPIJSLF-LSDHHAIUSA-N 2 0 324.472 2.951 20 0 DFADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]C[C@@H](c1cccs1)N(C)C ZINC000422769934 296330390 /nfs/dbraw/zinc/33/03/90/296330390.db2.gz VPHKPYWBPKDQQS-WBMJQRKESA-N 2 0 318.490 2.864 20 0 DFADRP CCOc1cc(CCC[NH2+][C@@H]2CCC[C@H]2C[NH3+])ccc1OC ZINC000422768937 296329866 /nfs/dbraw/zinc/32/98/66/296329866.db2.gz ZSNATKYWMAOLOW-JKSUJKDBSA-N 2 0 306.450 2.744 20 0 DFADRP OC[C@H](C[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1)Cc1ccccc1 ZINC000422771649 296330318 /nfs/dbraw/zinc/33/03/18/296330318.db2.gz XPIZXRXQIRKQDZ-MTQWCTHYSA-N 2 0 316.489 2.738 20 0 DFADRP Clc1cnc(NCC[NH2+][C@H]2CCC[NH2+]CC2)c(Cl)c1 ZINC000422781861 296331829 /nfs/dbraw/zinc/33/18/29/296331829.db2.gz LFTLGRBGEZMMDP-NSHDSACASA-N 2 0 303.237 2.532 20 0 DFADRP CCOC(=O)C1([C@H](C)[NH2+]C2CCC(C)(C)CC2)CC[NH2+]CC1 ZINC000422782331 296332000 /nfs/dbraw/zinc/33/20/00/296332000.db2.gz LPXVGSODOQWXIJ-AWEZNQCLSA-N 2 0 310.482 2.866 20 0 DFADRP COc1ccc([C@@H](C)[NH2+][C@@H](C)C2C[NH2+]C2)cc1Br ZINC000422781751 296332006 /nfs/dbraw/zinc/33/20/06/296332006.db2.gz JCZNFLBDPUGGKI-ZJUUUORDSA-N 2 0 313.239 2.716 20 0 DFADRP C[NH+](C)C1(CN[C@H]2C[C@H]([NH3+])c3ccccc32)Cc2ccccc2C1 ZINC000422785228 296332417 /nfs/dbraw/zinc/33/24/17/296332417.db2.gz PFPGNRXJXFFYKB-PMACEKPBSA-N 2 0 321.468 2.820 20 0 DFADRP C[C@H]([NH2+]CC[C@H]1CCOC1)c1ccc(OCC[NH+](C)C)cc1 ZINC000346893657 284973713 /nfs/dbraw/zinc/97/37/13/284973713.db2.gz YBIDQMHFULIQHM-HOTGVXAUSA-N 2 0 306.450 2.704 20 0 DFADRP CCO[C@@H]1C[C@H]([NH2+][C@@H](Cc2ccccc2)[C@@H](C)[NH3+])C12CCC2 ZINC000422787268 296332640 /nfs/dbraw/zinc/33/26/40/296332640.db2.gz UKZQGDFIXIEXPT-LAVFITLUSA-N 2 0 302.462 2.882 20 0 DFADRP [NH3+]C[C@H]1CCC[C@H]1[NH2+]CCNc1ncc(Cl)cc1Cl ZINC000422786347 296332690 /nfs/dbraw/zinc/33/26/90/296332690.db2.gz QFKWYXKRGQIRSW-BXKDBHETSA-N 2 0 303.237 2.517 20 0 DFADRP C[C@H](CCc1ccc2c(c1)OCO2)[NH2+]C1CCC(C[NH3+])CC1 ZINC000422792017 296333618 /nfs/dbraw/zinc/33/36/18/296333618.db2.gz ZABAJNNIIKECAP-IUDNXUCKSA-N 2 0 304.434 2.844 20 0 DFADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]C[C@H](C)N1CCC(C)CC1 ZINC000422794685 296333973 /nfs/dbraw/zinc/33/39/73/296333973.db2.gz ZDUWXHUURMDRJD-LSDHHAIUSA-N 2 0 304.482 2.620 20 0 DFADRP C[C@@H](CCC[NH3+])[NH2+]C[C@H](C)Oc1cccc(Br)c1 ZINC000422795263 296333991 /nfs/dbraw/zinc/33/39/91/296333991.db2.gz HFVJWYJUYIKVTB-RYUDHWBXSA-N 2 0 315.255 2.933 20 0 DFADRP CC[NH+]1CCC(CC[NH2+][C@@H](C)c2ccc(C[NH3+])nc2C)CC1 ZINC000422794136 296334044 /nfs/dbraw/zinc/33/40/44/296334044.db2.gz YGSIKZZTWJSJJX-AWEZNQCLSA-N 3 0 304.482 2.621 20 0 DFADRP Cc1nc(C[NH3+])ccc1[C@H](C)N[C@@H]1CC[N@H+](CC2CCCC2)C1 ZINC000422798337 296334770 /nfs/dbraw/zinc/33/47/70/296334770.db2.gz QRRXJENDEAEOTP-MAUKXSAKSA-N 2 0 316.493 2.764 20 0 DFADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]C[C@@H](C)N1CCC(C)CC1 ZINC000422794678 296334206 /nfs/dbraw/zinc/33/42/06/296334206.db2.gz ZDUWXHUURMDRJD-CABCVRRESA-N 2 0 304.482 2.620 20 0 DFADRP C[C@H]1CC[NH2+]CC[C@H]1[NH2+]CCNc1ncc(Cl)cc1Cl ZINC000422795176 296334228 /nfs/dbraw/zinc/33/42/28/296334228.db2.gz ZUOAUSCCQBIHGZ-GXFFZTMASA-N 2 0 317.264 2.778 20 0 DFADRP CC[C@H]1Oc2cc([C@H](C)[NH2+]C3CCC([NH3+])CC3)ccc2NC1=O ZINC000422802157 296335602 /nfs/dbraw/zinc/33/56/02/296335602.db2.gz BAGWBYKGVLUGSL-QPUFIGCCSA-N 2 0 317.433 2.717 20 0 DFADRP CC(C)c1ccc([C@@H]([NH3+])CNC(=O)C23CCC[NH+]2CCC3)cc1 ZINC000422797544 296334843 /nfs/dbraw/zinc/33/48/43/296334843.db2.gz NFXIPUGYVCDGCA-KRWDZBQOSA-N 2 0 315.461 2.554 20 0 DFADRP CC[NH+](CC)[C@H](CN[C@@H]1CCC[C@H]1C[NH3+])c1cccc(OC)c1 ZINC000422797258 296334895 /nfs/dbraw/zinc/33/48/95/296334895.db2.gz LSAJRYRQZCPWON-QXAKKESOSA-N 2 0 319.493 2.795 20 0 DFADRP C[C@@H](C[NH2+]C1CC[NH2+]CC1)Oc1ccc(Br)cc1 ZINC000422797152 296334945 /nfs/dbraw/zinc/33/49/45/296334945.db2.gz LEKPJHOANMPZPZ-NSHDSACASA-N 2 0 313.239 2.558 20 0 DFADRP [NH3+][C@H]1CC[C@H](C(=O)Nc2ccc(CC[NH+]3CCCCC3)cc2)C1 ZINC000269256373 207397597 /nfs/dbraw/zinc/39/75/97/207397597.db2.gz SGMODTNZILBTPT-IRXDYDNUSA-N 2 0 315.461 2.781 20 0 DFADRP C[C@H](C[NH2+][C@@H]1CCC[C@H]1[NH3+])Oc1cccc(Br)c1 ZINC000422798818 296335196 /nfs/dbraw/zinc/33/51/96/296335196.db2.gz SXUFBHAFESTNTK-LERXQTSPSA-N 2 0 313.239 2.686 20 0 DFADRP [NH3+][C@H]1C[C@H](NCC[N@@H+]2CCc3ccccc3C2)c2ccccc21 ZINC000422805648 296336470 /nfs/dbraw/zinc/33/64/70/296336470.db2.gz MKZJXQIKNKCMBL-PMACEKPBSA-N 2 0 307.441 2.779 20 0 DFADRP c1cn(Cc2ccccc2C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)cn1 ZINC000422803956 296335790 /nfs/dbraw/zinc/33/57/90/296335790.db2.gz DRMNARZRDWGDTD-SLFFLAALSA-N 2 0 324.472 2.942 20 0 DFADRP [NH3+]C[C@H]1CCCC[C@H]1[NH2+]CCCN1CCc2ccccc2C1 ZINC000422805784 296336210 /nfs/dbraw/zinc/33/62/10/296336210.db2.gz JOABGHQIIZPPIG-IEBWSBKVSA-N 2 0 301.478 2.542 20 0 DFADRP CC(C)(C[NH2+][C@@H]1CCCC[C@H]1C[NH3+])c1ccc2c(c1)OCO2 ZINC000422808116 296336909 /nfs/dbraw/zinc/33/69/09/296336909.db2.gz AJGSYEZSWZZRHY-DZGCQCFKSA-N 2 0 304.434 2.800 20 0 DFADRP CC(C)(C[NH2+][C@H]1CCCC[C@H]1C[NH3+])c1ccc2c(c1)OCO2 ZINC000422808119 296337049 /nfs/dbraw/zinc/33/70/49/296337049.db2.gz AJGSYEZSWZZRHY-ZFWWWQNUSA-N 2 0 304.434 2.800 20 0 DFADRP CCN(CC)C(=O)c1ccc(C[NH2+][C@H](C)CCCC[NH3+])cc1 ZINC000422814007 296337865 /nfs/dbraw/zinc/33/78/65/296337865.db2.gz SWIVHJZAABQLRY-OAHLLOKOSA-N 2 0 305.466 2.776 20 0 DFADRP CCOC(=O)C1([C@@H](C)[NH2+][C@H](C)Cc2cccs2)CC[NH2+]CC1 ZINC000422813649 296337969 /nfs/dbraw/zinc/33/79/69/296337969.db2.gz YJFCVFDETHREHR-ZIAGYGMSSA-N 2 0 324.490 2.590 20 0 DFADRP CCN(CC)C(=O)c1ccc(C[NH2+]C2CCC([NH3+])CC2)cc1 ZINC000422810855 296337408 /nfs/dbraw/zinc/33/74/08/296337408.db2.gz NZYNGFXCLLLMGZ-UHFFFAOYSA-N 2 0 303.450 2.528 20 0 DFADRP CCCCO[C@@H]1C[C@H]([NH2+][C@@H]2CCOC[C@@H]2[C@H]2CCC[NH2+]2)C1(C)C ZINC000422819515 296339078 /nfs/dbraw/zinc/33/90/78/296339078.db2.gz NCUXSMBRXRVISW-HSFUPAIVSA-N 2 0 324.509 2.717 20 0 DFADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]CCC1CCN(CC(F)(F)F)CC1 ZINC000422821258 296339242 /nfs/dbraw/zinc/33/92/42/296339242.db2.gz VGHPSBRVKVIVOA-GJZGRUSLSA-N 2 0 321.431 2.758 20 0 DFADRP c1c(CC[NH2+][C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)nc2ccccn12 ZINC000422815820 296338419 /nfs/dbraw/zinc/33/84/19/296338419.db2.gz CNNWRQAYQFVDTR-RCCFBDPRSA-N 2 0 312.461 2.777 20 0 DFADRP CC(C)c1ccc([C@H](C)[N@@H+]2CC[C@@H](n3cc(C[NH3+])nn3)C2)cc1 ZINC000631844720 399507033 /nfs/dbraw/zinc/50/70/33/399507033.db2.gz LRNGSDNGVNDCQL-KBXCAEBGSA-N 2 0 313.449 2.868 20 0 DFADRP CCN(CC)C(=O)c1ccc(C[NH2+][C@@H]2CC[NH2+]CC[C@H]2C)cc1 ZINC000422816527 296338678 /nfs/dbraw/zinc/33/86/78/296338678.db2.gz ZZVRBGKKUCRKTD-CRAIPNDOSA-N 2 0 317.477 2.646 20 0 DFADRP C[C@@H]([NH2+]Cc1ccc(COCC(F)(F)F)cc1)[C@H]1CC[NH2+]C1 ZINC000422824533 296339759 /nfs/dbraw/zinc/33/97/59/296339759.db2.gz OBCLGUNTIPSGIT-DOMZBBRYSA-N 2 0 316.367 2.853 20 0 DFADRP C[C@H]([NH2+]Cc1ccc(Cn2cnc3ccccc32)cc1)C1C[NH2+]C1 ZINC000422824069 296339824 /nfs/dbraw/zinc/33/98/24/296339824.db2.gz GFQVYULPUUQRMF-HNNXBMFYSA-N 2 0 320.440 2.782 20 0 DFADRP CC(C)(C[NH2+]C1CCC([NH3+])CC1)c1ccc2c(c1)OCCO2 ZINC000422825042 296340098 /nfs/dbraw/zinc/34/00/98/296340098.db2.gz OZRVJESRZCTFBG-UHFFFAOYSA-N 2 0 304.434 2.595 20 0 DFADRP Cc1ccc([C@H](CN[C@H](C)[C@@H]2CC[NH2+]C2)[NH+]2CCCC2)cc1 ZINC000422826671 296340151 /nfs/dbraw/zinc/34/01/51/296340151.db2.gz LRUZYFCXLFENGC-QRQLOZEOSA-N 2 0 301.478 2.720 20 0 DFADRP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+]CCC1CCN(CC(F)(F)F)CC1 ZINC000422822087 296339411 /nfs/dbraw/zinc/33/94/11/296339411.db2.gz ZTTNKGPQJZPGEX-CABCVRRESA-N 2 0 321.431 2.900 20 0 DFADRP CC[NH+](CC)[C@H](CN[C@@H]1C[NH2+]CC[C@H]1C)Cc1ccccc1 ZINC000422829492 296340795 /nfs/dbraw/zinc/34/07/95/296340795.db2.gz HPBRERQHLPYHJT-NZSAHSFTSA-N 2 0 303.494 2.527 20 0 DFADRP CCOC(=O)C[N@H+](CC1CC[NH2+]CC1)[C@H](C)c1ccccc1 ZINC000346999082 285000152 /nfs/dbraw/zinc/00/01/52/285000152.db2.gz FIUQKCYTNOKSOQ-OAHLLOKOSA-N 2 0 304.434 2.612 20 0 DFADRP COc1ccccc1N1CCC([NH2+][C@H]2CC[NH2+]CC[C@@H]2C)CC1 ZINC000422839649 296342384 /nfs/dbraw/zinc/34/23/84/296342384.db2.gz RCKLAPBYBLSZMC-RDJZCZTQSA-N 2 0 317.477 2.642 20 0 DFADRP COc1ccccc1N1CCC([NH2+][C@H](C)[C@@H]2CCCC[NH2+]2)CC1 ZINC000422839460 296342439 /nfs/dbraw/zinc/34/24/39/296342439.db2.gz QCDZZQUHXDRFNW-WBVHZDCISA-N 2 0 317.477 2.784 20 0 DFADRP C[C@@H](N[C@H]1CCC[N@H+](Cc2ccccc2)C1)[C@@H]1CCCC[NH2+]1 ZINC000422833297 296341295 /nfs/dbraw/zinc/34/12/95/296341295.db2.gz MHHPGCXAJBCADQ-NEWSRXKRSA-N 2 0 301.478 2.771 20 0 DFADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]CC1CC[NH+](Cc2cccs2)CC1 ZINC000422835553 296341712 /nfs/dbraw/zinc/34/17/12/296341712.db2.gz YSDYXGCIQRBPDO-CRAIPNDOSA-N 3 0 321.534 2.938 20 0 DFADRP CC[C@H]([NH2+]C1CCN(c2ccccc2OC)CC1)[C@@H]1CCC[NH2+]1 ZINC000422834575 296341891 /nfs/dbraw/zinc/34/18/91/296341891.db2.gz HWDJBZFPDNLWLP-IRXDYDNUSA-N 2 0 317.477 2.784 20 0 DFADRP CN(C)c1ccc(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)cn1 ZINC000422836454 296341927 /nfs/dbraw/zinc/34/19/27/296341927.db2.gz REKLAPZQPHJBNN-BRWVUGGUSA-N 2 0 302.466 2.548 20 0 DFADRP CCO[C@@H]1C[C@H]([NH2+][C@@H]2CCOC[C@@H]2[C@@H]2CCC[NH2+]2)C1(CC)CC ZINC000422837787 296342123 /nfs/dbraw/zinc/34/21/23/296342123.db2.gz MUAUERGWBZCUCO-MDMSPXHWSA-N 2 0 324.509 2.717 20 0 DFADRP C[C@@H]([NH2+]CC1(c2ccccc2)CCOCC1)[C@H]1CCCC[NH2+]1 ZINC000422843693 296343375 /nfs/dbraw/zinc/34/33/75/296343375.db2.gz JFDLRBBHKSEDDF-SJLPKXTDSA-N 2 0 302.462 2.855 20 0 DFADRP C[C@H](C[NH+]1CCCCC1)N[C@@H]1CC[NH2+][C@@H](c2ccccc2)C1 ZINC000422838941 296342503 /nfs/dbraw/zinc/34/25/03/296342503.db2.gz YUFYXACGPKQFCR-BHIYHBOVSA-N 2 0 301.478 2.944 20 0 DFADRP Cc1nn(-c2ccc(F)cc2)cc1C[NH2+][C@H]1CC[NH2+]CC[C@@H]1C ZINC000422840629 296342846 /nfs/dbraw/zinc/34/28/46/296342846.db2.gz BVTRKSLMIHUSBA-UGSOOPFHSA-N 2 0 316.424 2.798 20 0 DFADRP C[C@H]1CC[NH2+]CC[C@H]1NC1CC[NH+](CCc2ccccc2)CC1 ZINC000422842441 296343112 /nfs/dbraw/zinc/34/31/12/296343112.db2.gz FWQRRGWATKMODO-FXAWDEMLSA-N 2 0 315.505 2.671 20 0 DFADRP C[C@@H]([NH3+])C[C@H](C)[NH2+]Cc1ccc(NC(=O)c2cccnc2)cc1 ZINC000422850956 296344577 /nfs/dbraw/zinc/34/45/77/296344577.db2.gz WKOUBRIOEMJRLE-KGLIPLIRSA-N 2 0 312.417 2.549 20 0 DFADRP C[C@@H]([NH3+])C[C@@H](C)[NH2+]Cc1ccc(NC(=O)c2cccnc2)cc1 ZINC000422850958 296344631 /nfs/dbraw/zinc/34/46/31/296344631.db2.gz WKOUBRIOEMJRLE-ZIAGYGMSSA-N 2 0 312.417 2.549 20 0 DFADRP C[C@H]1CCC[N@H+](Cc2ccc(C[NH2+]C3CC[NH2+]CC3)cc2)C1 ZINC000422857809 296345799 /nfs/dbraw/zinc/34/57/99/296345799.db2.gz HYKOURHEBXZHEX-INIZCTEOSA-N 3 0 301.478 2.760 20 0 DFADRP [NH3+]C[C@H]1CCCC[C@@H]1[NH2+]Cc1ccnc(OCC(F)(F)F)c1 ZINC000422854021 296345265 /nfs/dbraw/zinc/34/52/65/296345265.db2.gz CITRNHJRNBHXJV-OLZOCXBDSA-N 2 0 317.355 2.630 20 0 DFADRP COc1ccccc1N1CC[C@H](C[NH2+][C@H](C)[C@H]2CCCC[NH2+]2)C1 ZINC000422853308 296345328 /nfs/dbraw/zinc/34/53/28/296345328.db2.gz RXRSKQPKNHGYEB-BRWVUGGUSA-N 2 0 317.477 2.642 20 0 DFADRP CCNC(=O)c1ccc(C[NH2+][C@@H](C)C[C@H]2CCCCC[NH2+]2)cc1 ZINC000422853750 296345359 /nfs/dbraw/zinc/34/53/59/296345359.db2.gz CFNWPFQAPQKDCZ-MAUKXSAKSA-N 2 0 317.477 2.837 20 0 DFADRP Cc1cc(C)n(-c2ccc(CC[NH2+][C@@H]3CCC[C@H]3C[NH3+])cc2)n1 ZINC000422856556 296345502 /nfs/dbraw/zinc/34/55/02/296345502.db2.gz GHEOGYNTDNLANH-PKOBYXMFSA-N 2 0 312.461 2.749 20 0 DFADRP CC[C@@H]([NH2+]CC1(c2ccccc2)CCOCC1)[C@@H]1CCC[NH2+]1 ZINC000422849974 296344708 /nfs/dbraw/zinc/34/47/08/296344708.db2.gz VLFZVNWYJQKNQF-MSOLQXFVSA-N 2 0 302.462 2.855 20 0 DFADRP c1cn(-c2ccccc2)nc1CC[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000422857599 296345809 /nfs/dbraw/zinc/34/58/09/296345809.db2.gz HBQFJBSWUTVFKI-ZCNNSNEGSA-N 2 0 324.472 2.925 20 0 DFADRP CC[C@H](C(=O)N[C@@](C)(C[NH3+])CC(C)C)[N@H+](C)Cc1ccccc1 ZINC000422866364 296347175 /nfs/dbraw/zinc/34/71/75/296347175.db2.gz QIGGHFLFHNFGSV-IEBWSBKVSA-N 2 0 319.493 2.777 20 0 DFADRP COC[C@@H](CCC[NH3+])[NH2+][C@@H](C)c1ccc(-n2ccnc2C)cc1 ZINC000422867044 296347247 /nfs/dbraw/zinc/34/72/47/296347247.db2.gz RMCZKUHTADMORI-WMLDXEAASA-N 2 0 316.449 2.585 20 0 DFADRP C[C@@H]1CCC[N@H+](Cc2ccccc2C[NH2+]C2CC[NH2+]CC2)C1 ZINC000422878636 296349161 /nfs/dbraw/zinc/34/91/61/296349161.db2.gz JKQKBTLWGLOHPW-MRXNPFEDSA-N 3 0 301.478 2.760 20 0 DFADRP CCOc1ccc(C2(C[NH2+][C@@H](C)C[C@H](C)[NH3+])CCOCC2)cc1 ZINC000422874541 296348345 /nfs/dbraw/zinc/34/83/45/296348345.db2.gz AIJHRXYXVIVHST-HOTGVXAUSA-N 2 0 320.477 2.849 20 0 DFADRP C[C@H](C[C@H](C)[NH3+])[NH2+][C@@H](C)c1ccc(NC(=O)NC2CC2)cc1 ZINC000422873665 296348351 /nfs/dbraw/zinc/34/83/51/296348351.db2.gz AYVJZERBFSYILO-XQQFMLRXSA-N 2 0 304.438 2.747 20 0 DFADRP CC[C@H](N[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1)[C@@H]1CCC[NH2+]1 ZINC000422879654 296349372 /nfs/dbraw/zinc/34/93/72/296349372.db2.gz VVJPCLYEIAVLRK-YSHGAJCASA-N 2 0 301.478 2.770 20 0 DFADRP Cc1ccccc1C1(C[NH2+][C@H](C)[C@@H]2CC[NH2+]C2)CCOCC1 ZINC000422883343 296350017 /nfs/dbraw/zinc/35/00/17/296350017.db2.gz UULKZCDPWLLFGP-IAGOWNOFSA-N 2 0 302.462 2.631 20 0 DFADRP c1cnn(-c2ccc(C[NH2+][C@@H]3CCC[C@@H]3[C@H]3CCC[NH2+]3)cc2)c1 ZINC000422882907 296350023 /nfs/dbraw/zinc/35/00/23/296350023.db2.gz POHPHTUGCQHPRD-GUDVDZBRSA-N 2 0 310.445 2.883 20 0 DFADRP COc1ccc(C[NH2+][C@H](C)C[C@H](C)[NH3+])cc1Br ZINC000422886071 296350559 /nfs/dbraw/zinc/35/05/59/296350559.db2.gz ZZKVJXKPEXNGHN-VHSXEESVSA-N 2 0 301.228 2.673 20 0 DFADRP Cc1ccc(C[NH2+][C@@H]2CC[NH2+]CC[C@@H]2C)c(O[C@@H]2CCOC2)c1 ZINC000422881515 296349716 /nfs/dbraw/zinc/34/97/16/296349716.db2.gz YUNSPRNDSAGVPM-CGTJXYLNSA-N 2 0 318.461 2.640 20 0 DFADRP C[C@@H]([NH2+]Cc1cccc(OCC(F)(F)F)c1)[C@@H]1CC[NH2+]C1 ZINC000422881452 296349767 /nfs/dbraw/zinc/34/97/67/296349767.db2.gz NQDGCEWFQKECGI-DGCLKSJQSA-N 2 0 302.340 2.715 20 0 DFADRP Cc1ccc([C@H](C[NH2+][C@@H]2CC[NH2+]CC[C@H]2C)N2CCCC2)o1 ZINC000422881155 296349789 /nfs/dbraw/zinc/34/97/89/296349789.db2.gz PQAPLZVNNJJCHR-OIISXLGYSA-N 2 0 305.466 2.703 20 0 DFADRP [NH3+]C[C@@H]1CCC[C@H]1[NH2+]Cc1ccc(N2CCCCCC2)nc1 ZINC000422888207 296350994 /nfs/dbraw/zinc/35/09/94/296350994.db2.gz CCWLAKLLQNCIDW-DLBZAZTESA-N 2 0 302.466 2.679 20 0 DFADRP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+][C@H]1CCC[NH2+]CC1 ZINC000422889956 296351203 /nfs/dbraw/zinc/35/12/03/296351203.db2.gz RAJLCMJUSJJIFX-KVPLUYHFSA-N 3 0 315.505 2.875 20 0 DFADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]Cc1ccc(-n2cccn2)cc1 ZINC000422885039 296350666 /nfs/dbraw/zinc/35/06/66/296350666.db2.gz TUBJHYRQEUCWQF-AWEZNQCLSA-N 2 0 321.428 2.885 20 0 DFADRP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+]C[C@@H]1CCN(c2ccc(F)cc2)C1 ZINC000422898684 296352763 /nfs/dbraw/zinc/35/27/63/296352763.db2.gz MQZVJTFETHQVCH-QGTPRVQTSA-N 2 0 305.441 2.902 20 0 DFADRP CC[C@@H]([NH2+]C[C@@H]1CCN(c2ccc(F)cc2)C1)[C@@H]1CCC[NH2+]1 ZINC000422901605 296352938 /nfs/dbraw/zinc/35/29/38/296352938.db2.gz SHZPSKOXSCAQSU-QGTPRVQTSA-N 2 0 305.441 2.772 20 0 DFADRP Cc1cccc(OC[C@H](O)C[NH2+][C@H](C)C[C@H]2CCCCC[NH2+]2)c1 ZINC000422901877 296353193 /nfs/dbraw/zinc/35/31/93/296353193.db2.gz SQQNEZNVWUJAOQ-KZNAEPCWSA-N 2 0 320.477 2.635 20 0 DFADRP C[C@H]([NH3+])[C@H]1COCC[C@H]1[NH2+]CC1(Sc2ccccc2)CC1 ZINC000422902494 296353291 /nfs/dbraw/zinc/35/32/91/296353291.db2.gz DKFFYECFEMCGMP-NUEKZKHPSA-N 2 0 306.475 2.653 20 0 DFADRP CCCOc1ccc(C[NH2+][C@@H]2CCOC[C@@H]2[C@@H]2CCC[NH2+]2)cc1 ZINC000422902210 296353386 /nfs/dbraw/zinc/35/33/86/296353386.db2.gz UDNIENMQCCWIIE-CEXWTWQISA-N 2 0 318.461 2.722 20 0 DFADRP CC[C@@H]([NH2+]CCCOc1ccc(OC)cc1)[C@@H]1CCCC[NH2+]1 ZINC000422894248 296351820 /nfs/dbraw/zinc/35/18/20/296351820.db2.gz BVEHGKORNDGISQ-MSOLQXFVSA-N 2 0 306.450 2.974 20 0 DFADRP CC1CCN(c2ccc(C[NH2+][C@@H]3CCCC[C@@H]3C[NH3+])cn2)CC1 ZINC000422892560 296351959 /nfs/dbraw/zinc/35/19/59/296351959.db2.gz NIHPDACBXHLGSF-QZTJIDSGSA-N 2 0 316.493 2.925 20 0 DFADRP C[C@@H]([NH2+]C[C@H]1CCN(c2ccc(F)cc2)C1)[C@H]1CCCC[NH2+]1 ZINC000422902670 296353527 /nfs/dbraw/zinc/35/35/27/296353527.db2.gz UXUMDLNGNJFPSF-IIDMSEBBSA-N 2 0 305.441 2.772 20 0 DFADRP C[C@@H](CO)[C@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000347415955 285043476 /nfs/dbraw/zinc/04/34/76/285043476.db2.gz PQUNHHBOWUDYFS-KDEOWCQBSA-N 2 0 302.462 2.789 20 0 DFADRP CCCCOc1ccc(CC[NH2+][C@@H]2CCOC[C@H]2[C@H](C)[NH3+])cc1 ZINC000422904040 296353903 /nfs/dbraw/zinc/35/39/03/296353903.db2.gz WTBUYUGYAMUVQC-ZYSHUDEJSA-N 2 0 320.477 2.750 20 0 DFADRP COc1cccc(N2CC[C@@H](C[NH2+]C3CCC(C[NH3+])CC3)C2)c1 ZINC000422908818 296354578 /nfs/dbraw/zinc/35/45/78/296354578.db2.gz ZKCYSKGBFIFYTJ-CGZBRXJRSA-N 2 0 317.477 2.629 20 0 DFADRP C[C@@H]([NH2+]CCc1nc2ccccc2n1C(F)F)[C@@H]1CC[NH2+]C1 ZINC000422910026 296354662 /nfs/dbraw/zinc/35/46/62/296354662.db2.gz HGJXHXQEKPAYOR-VXGBXAGGSA-N 2 0 308.376 2.562 20 0 DFADRP Cc1nccn1-c1ccc(C[NH2+][C@H]2CC[NH2+]CC[C@@H]2C)cc1F ZINC000422904877 296353650 /nfs/dbraw/zinc/35/36/50/296353650.db2.gz QYDHZMKXGKHXGP-GUYCJALGSA-N 2 0 316.424 2.798 20 0 DFADRP CCc1nc(CN2CCC(C[NH2+][C@H](C)C[C@H](C)[NH3+])CC2)cs1 ZINC000422913839 296355239 /nfs/dbraw/zinc/35/52/39/296355239.db2.gz QWFYKMOLECUIHZ-UONOGXRCSA-N 2 0 324.538 2.633 20 0 DFADRP C[C@@H]1C[N@@H+](CCCC[NH2+][C@@H]2C[C@@H]([NH3+])c3ccccc32)C[C@H](C)O1 ZINC000422913705 296355247 /nfs/dbraw/zinc/35/52/47/296355247.db2.gz QOHFUKABGIIKSM-WTLGNFPFSA-N 3 0 317.477 2.610 20 0 DFADRP CCc1nc(CN2CCC(C[NH2+][C@H](C)C[C@@H](C)[NH3+])CC2)cs1 ZINC000422913840 296355372 /nfs/dbraw/zinc/35/53/72/296355372.db2.gz QWFYKMOLECUIHZ-ZIAGYGMSSA-N 2 0 324.538 2.633 20 0 DFADRP C[C@H](O)CC(C)(C)C[NH2+][C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422919438 296355718 /nfs/dbraw/zinc/35/57/18/296355718.db2.gz JYINRFWRXWIXHN-URLQWDBASA-N 2 0 318.461 2.629 20 0 DFADRP CC[NH+]1CCN(c2ccccc2NC2CCC([NH3+])CC2)CC1 ZINC000422922354 296356128 /nfs/dbraw/zinc/35/61/28/296356128.db2.gz QBTIRSQUPISNHI-UHFFFAOYSA-N 2 0 302.466 2.510 20 0 DFADRP C[C@H]([NH3+])C[C@H](C)[NH2+][C@H]1CCCN(Cc2c(F)cccc2F)C1 ZINC000422910854 296354858 /nfs/dbraw/zinc/35/48/58/296354858.db2.gz RPWXUGRYWZDVND-IHRRRGAJSA-N 2 0 311.420 2.645 20 0 DFADRP CCC[C@H]([NH2+][C@H](C)C[C@H](C)[NH3+])C(=O)N1CCc2sccc2C1 ZINC000422913306 296355060 /nfs/dbraw/zinc/35/50/60/296355060.db2.gz YEQXRBYRKIAHMN-GUTXKFCHSA-N 2 0 323.506 2.517 20 0 DFADRP C[C@@H]1C[NH+](CCCC[NH2+][C@@H]2C[C@H]([NH3+])c3ccccc32)C[C@@H](C)O1 ZINC000422913703 296355156 /nfs/dbraw/zinc/35/51/56/296355156.db2.gz QOHFUKABGIIKSM-VVWQDTPRSA-N 3 0 317.477 2.610 20 0 DFADRP [NH3+][C@@H]1CCC[C@H]1[NH2+]CCc1ccc(F)c(Br)c1 ZINC000422931304 296356932 /nfs/dbraw/zinc/35/69/32/296356932.db2.gz BMAUVIKAEWIBAL-CHWSQXEVSA-N 2 0 301.203 2.600 20 0 DFADRP CC(C)CC(=O)N1CCC([NH2+][C@H]2C[C@@H]([NH3+])c3ccccc32)CC1 ZINC000422937164 296358062 /nfs/dbraw/zinc/35/80/62/296358062.db2.gz NQQXEEQXYLQBNY-MSOLQXFVSA-N 2 0 315.461 2.758 20 0 DFADRP [NH3+]C[C@H]1CCC[C@H]1[NH2+]CCOc1cccc(Br)c1 ZINC000422942997 296358583 /nfs/dbraw/zinc/35/85/83/296358583.db2.gz LCJPEEMREQYPJI-BXUZGUMPSA-N 2 0 313.239 2.545 20 0 DFADRP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1[NH2+]CCc1csc2ccccc12 ZINC000422943331 296358683 /nfs/dbraw/zinc/35/86/83/296358683.db2.gz YBTHRMAKCYSAQB-RCBQFDQVSA-N 2 0 304.459 2.786 20 0 DFADRP C[C@@H]([NH2+]Cc1cccc(Cn2cnc3ccccc32)c1)C1C[NH2+]C1 ZINC000422935283 296357442 /nfs/dbraw/zinc/35/74/42/296357442.db2.gz HCHYECBYENUHRZ-OAHLLOKOSA-N 2 0 320.440 2.782 20 0 DFADRP Clc1ccc(C2(C[NH2+]C3CC[NH2+]CC3)CCOCC2)cc1 ZINC000422935804 296357613 /nfs/dbraw/zinc/35/76/13/296357613.db2.gz DTHVNDUGTPEJAJ-UHFFFAOYSA-N 2 0 308.853 2.730 20 0 DFADRP C[C@H]([NH2+]CC1CC[NH+](Cc2ccncc2)CC1)[C@H]1CCCCO1 ZINC000624012215 399523095 /nfs/dbraw/zinc/52/30/95/399523095.db2.gz UMFYCNXCQVBJAF-QFBILLFUSA-N 2 0 317.477 2.841 20 0 DFADRP [NH3+]C[C@H]1CCC[C@H]1[NH2+]CCCc1nc(-c2ccncc2)cs1 ZINC000422956961 296360721 /nfs/dbraw/zinc/36/07/21/296360721.db2.gz RSNZYPAAUPDNJY-HUUCEWRRSA-N 2 0 316.474 2.855 20 0 DFADRP C[C@H]([NH2+]CCc1nc(-c2ccc(Cl)cc2)no1)[C@@H]1CC[NH2+]C1 ZINC000422958763 296360912 /nfs/dbraw/zinc/36/09/12/296360912.db2.gz PUXHBUNXXGPGMR-WCQYABFASA-N 2 0 320.824 2.520 20 0 DFADRP Cc1nccn1C[C@H](C)C[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1 ZINC000422953338 296360384 /nfs/dbraw/zinc/36/03/84/296360384.db2.gz FHJLFCLLXNCMRV-VDHUWJSZSA-N 2 0 304.482 2.728 20 0 DFADRP CC[C@@H]([NH2+]CCCN(C(=O)C1CCC1)C1CC1)[C@H]1CCCC[NH2+]1 ZINC000422954192 296360504 /nfs/dbraw/zinc/36/05/04/296360504.db2.gz HFODINYLCUMVEG-QZTJIDSGSA-N 2 0 321.509 2.678 20 0 DFADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]CCCOc1cccc2cccnc21 ZINC000422956241 296360586 /nfs/dbraw/zinc/36/05/86/296360586.db2.gz OVHVXRLDYBLMSP-WBVHZDCISA-N 2 0 313.445 2.981 20 0 DFADRP COc1cc2c(cc1C[NH2+]C1CCC(C[NH3+])CC1)O[C@@H](C)C2 ZINC000422960073 296361258 /nfs/dbraw/zinc/36/12/58/296361258.db2.gz APZHNGVDNOGFMK-FUJMWEONSA-N 2 0 304.434 2.626 20 0 DFADRP CCC(C)(C)[NH2+][C@@H](C)C(=O)NCCCC[N@@H+]1CCCC[C@@H]1C ZINC000347518642 285070243 /nfs/dbraw/zinc/07/02/43/285070243.db2.gz IRWYKZXVTUKQFA-HOTGVXAUSA-N 2 0 311.514 2.924 20 0 DFADRP c1ccc([C@H]2C[C@H]([NH2+][C@@H]3CCOC[C@@H]3[C@@H]3CCC[NH2+]3)C2)cc1 ZINC000422962999 296361575 /nfs/dbraw/zinc/36/15/75/296361575.db2.gz DYMZFOOMRASONM-IEWDOMPSSA-N 2 0 300.446 2.679 20 0 DFADRP CCC(CC)[C@H](CN[C@H](Cc1ccccc1)[C@H](C)[NH3+])[NH+](C)C ZINC000422962706 296361617 /nfs/dbraw/zinc/36/16/17/296361617.db2.gz GMUXUJFQKSHAKT-IPELMVKDSA-N 2 0 305.510 2.901 20 0 DFADRP C[C@H]1CC[NH2+]CC[C@@H]1[NH2+]Cc1ccnc(OC2CCCC2)c1 ZINC000422962362 296361700 /nfs/dbraw/zinc/36/17/00/296361700.db2.gz FMSIOJWLGPJZIP-YOEHRIQHSA-N 2 0 303.450 2.881 20 0 DFADRP C[C@H](c1ccncc1)[NH+]1CCC(N[C@@H](C)[C@@H]2CCCC[NH2+]2)CC1 ZINC000422970724 296363157 /nfs/dbraw/zinc/36/31/57/296363157.db2.gz WTTRWQPFFIZOHE-FCEWJHQRSA-N 2 0 316.493 2.727 20 0 DFADRP CCOC(=O)C1([C@@H](C)[NH2+][C@H](C)CCc2ccco2)CC[NH2+]CC1 ZINC000422969285 296362458 /nfs/dbraw/zinc/36/24/58/296362458.db2.gz ZMSCADSPPHALLJ-HUUCEWRRSA-N 2 0 322.449 2.512 20 0 DFADRP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]CCC[C@H]1CCCC[C@@H]1O ZINC000422987331 296364258 /nfs/dbraw/zinc/36/42/58/296364258.db2.gz FVOCLUOSLKLYFI-NQYYFHDYSA-N 2 0 304.478 2.866 20 0 DFADRP CCC[N@@H+]1CC[C@H](CN[C@@H]2CC[NH2+][C@@H](c3ccccc3)C2)C1 ZINC000422976095 296363385 /nfs/dbraw/zinc/36/33/85/296363385.db2.gz UQFVVDQSCBCTMO-BHIYHBOVSA-N 3 0 301.478 2.801 20 0 DFADRP [NH3+]C1CCC([NH2+]CCc2nc(-c3cccc(Cl)c3)no2)CC1 ZINC000422984119 296363900 /nfs/dbraw/zinc/36/39/00/296363900.db2.gz WZHJWTDXXUZAKH-UHFFFAOYSA-N 2 0 320.824 2.792 20 0 DFADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+][C@@H](C)[C@H](O)Cc1ccccc1 ZINC000422996700 296365172 /nfs/dbraw/zinc/36/51/72/296365172.db2.gz MVTAKJORLJHNPC-KCITZHQASA-N 2 0 304.478 2.879 20 0 DFADRP COc1ccc(COCC[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)cc1 ZINC000422990809 296364550 /nfs/dbraw/zinc/36/45/50/296364550.db2.gz ODSHWTDTTNFYRI-QRVBRYPASA-N 2 0 318.461 2.722 20 0 DFADRP c1ccc(CC2(C[NH2+][C@@H]3CCOC[C@H]3[C@H]3CCC[NH2+]3)CC2)cc1 ZINC000422993824 296364979 /nfs/dbraw/zinc/36/49/79/296364979.db2.gz GKGOXIBGHIPXEJ-IPMKNSEASA-N 2 0 314.473 2.756 20 0 DFADRP CC(C)C[N@@H+]1CCC[C@H](CN[C@@H](Cc2ccccc2)[C@@H](C)[NH3+])C1 ZINC000422994520 296364988 /nfs/dbraw/zinc/36/49/88/296364988.db2.gz HZKNMCKXZNRHLT-RLLQIKCJSA-N 2 0 317.521 2.903 20 0 DFADRP COCCCOc1cccc(C[NH2+][C@@H]2CC[NH2+]CC[C@H]2C)c1 ZINC000423002088 296366079 /nfs/dbraw/zinc/36/60/79/296366079.db2.gz IUDGBPWUDANFSP-CRAIPNDOSA-N 2 0 306.450 2.580 20 0 DFADRP CCc1ccc([C@H](CO)[NH2+][C@@H](C)c2ccc(C[NH3+])nc2C)cc1 ZINC000422997750 296365665 /nfs/dbraw/zinc/36/56/65/296365665.db2.gz BTSHBFKTGNDDTQ-LIRRHRJNSA-N 2 0 313.445 2.795 20 0 DFADRP COc1ccc(OC)c(CCC[NH2+][C@@H](C)[C@@H]2CCCC[NH2+]2)c1 ZINC000423009169 296367158 /nfs/dbraw/zinc/36/71/58/296367158.db2.gz CIVMFGACXBXWPC-YOEHRIQHSA-N 2 0 306.450 2.757 20 0 DFADRP CC(C)(CO)CCC[NH2+][C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423004594 296366377 /nfs/dbraw/zinc/36/63/77/296366377.db2.gz KCQDIKWMJHYFHO-QFBILLFUSA-N 2 0 318.461 2.631 20 0 DFADRP Fc1ccc([C@@H]2OCC[C@@H]2[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1F ZINC000423014790 296367664 /nfs/dbraw/zinc/36/76/64/296367664.db2.gz JKCOPCBIMFONFM-SPGJKGLVSA-N 2 0 308.372 2.667 20 0 DFADRP CC[C@H]([NH2+]CC(=O)NC1CC[NH+](C2CC2)CC1)c1cccs1 ZINC000347611581 285092259 /nfs/dbraw/zinc/09/22/59/285092259.db2.gz MIFJDIJEXJWISW-HNNXBMFYSA-N 2 0 321.490 2.532 20 0 DFADRP CC[C@H]([NH2+][C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)[C@@H]1CCCO1 ZINC000423011235 296367482 /nfs/dbraw/zinc/36/74/82/296367482.db2.gz IIFWWSPWJAHWPZ-NBMJBFSESA-N 2 0 316.445 2.790 20 0 DFADRP CN1CC[C@H]([NH2+]C2CCC(C[NH3+])CC2)[C@H]1c1ccc(F)c(F)c1 ZINC000423024510 296369071 /nfs/dbraw/zinc/36/90/71/296369071.db2.gz LUHDDEGHMAXTMF-BCPDWATNSA-N 2 0 323.431 2.817 20 0 DFADRP CC1(C[NH2+][C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)CCOCC1 ZINC000423024362 296369377 /nfs/dbraw/zinc/36/93/77/296369377.db2.gz LPAPTFXXJMMMEB-QFBILLFUSA-N 2 0 316.445 2.649 20 0 DFADRP COCC[C@@H](Cc1ccco1)[NH2+][C@@H](C)c1ccc(C[NH3+])nc1C ZINC000423034911 296370119 /nfs/dbraw/zinc/37/01/19/296370119.db2.gz QQVVPTGDKNSVJI-ZFWWWQNUSA-N 2 0 317.433 2.740 20 0 DFADRP Fc1ccc([C@H]2C[C@H]([NH2+]C3C[C@H]4CC[C@@H](C3)[NH2+]4)CCO2)cc1 ZINC000423033791 296370374 /nfs/dbraw/zinc/37/03/74/296370374.db2.gz GYBDAXBBFZDBCF-YUGHNKOSSA-N 2 0 304.409 2.918 20 0 DFADRP COCC[C@H](Cc1ccco1)[NH2+][C@@H]1C[C@H]([NH3+])c2ccccc21 ZINC000423028567 296369648 /nfs/dbraw/zinc/36/96/48/296369648.db2.gz GSEDGPRVBQPQPB-JEBQAFNWSA-N 2 0 300.402 2.962 20 0 DFADRP Cc1cc(C[NH2+][C@@H]2CCOC[C@H]2[C@H]2CCC[NH2+]2)ccc1Cl ZINC000423031427 296369939 /nfs/dbraw/zinc/36/99/39/296369939.db2.gz DHIDJWPXMOSAKE-USXIJHARSA-N 2 0 308.853 2.895 20 0 DFADRP Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)[NH2+][C@H](C)C[C@@H](C)[NH3+] ZINC000423039227 296370576 /nfs/dbraw/zinc/37/05/76/296370576.db2.gz FBZJRDBIUQUTGU-BBBLOLIVSA-N 2 0 306.376 2.839 20 0 DFADRP CCOC(=O)C1([C@H](C)[NH2+][C@@H]2CC[C@@H](C)[C@@H](C)C2)CC[NH2+]CC1 ZINC000423037115 296370670 /nfs/dbraw/zinc/37/06/70/296370670.db2.gz MLTJYMQKVNMSIN-FXUDXRNXSA-N 2 0 310.482 2.722 20 0 DFADRP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]C[C@H](O)CCc1ccccc1 ZINC000423039035 296370687 /nfs/dbraw/zinc/37/06/87/296370687.db2.gz ZXPPSIIZRODCIC-DBVUQKKJSA-N 2 0 312.457 2.528 20 0 DFADRP CCC[N@H+](C)CC(C)(C)NC(=O)c1ccc(C[NH+](CC)CC)o1 ZINC000620624120 399546920 /nfs/dbraw/zinc/54/69/20/399546920.db2.gz OIGUKTXWMHDABZ-UHFFFAOYSA-N 2 0 323.481 2.972 20 0 DFADRP C[C@H]([NH2+]CC1(CCOCc2ccccc2)CC1)[C@@H]1CC[NH2+]C1 ZINC000423044742 296371438 /nfs/dbraw/zinc/37/14/38/296371438.db2.gz AVCVPJGOPLLZFT-FUHWJXTLSA-N 2 0 302.462 2.961 20 0 DFADRP CCC[N@H+](C)CC(C)(C)NC(=O)[C@@H](C)[NH+](C)Cc1ccccc1 ZINC000620624296 399547166 /nfs/dbraw/zinc/54/71/66/399547166.db2.gz UUGVJPHSGCODEG-MRXNPFEDSA-N 2 0 319.493 2.744 20 0 DFADRP C[C@H]1CC[NH2+]CC[C@@H]1[NH2+]CCc1cn(C)c2cc(F)ccc12 ZINC000423048173 296371520 /nfs/dbraw/zinc/37/15/20/296371520.db2.gz HSTAIUBEOFGQJE-GUYCJALGSA-N 2 0 303.425 2.838 20 0 DFADRP C[C@H]([NH3+])[C@H]1COCC[C@@H]1[NH2+]CCCCc1ccc(F)c(F)c1 ZINC000423047838 296371545 /nfs/dbraw/zinc/37/15/45/296371545.db2.gz HGJWQSDRVYSADN-QEORTHHSSA-N 2 0 312.404 2.629 20 0 DFADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]CCc1cn(C)c2cc(F)ccc12 ZINC000423048172 296371690 /nfs/dbraw/zinc/37/16/90/296371690.db2.gz HSTAIUBEOFGQJE-DYVFJYSZSA-N 2 0 303.425 2.838 20 0 DFADRP C[NH+](C)[C@@H](CNC1CC[NH2+]CC1)c1cccc(C(F)(F)F)c1 ZINC000423051530 296372467 /nfs/dbraw/zinc/37/24/67/296372467.db2.gz OEZNTOMAYXTEAJ-HNNXBMFYSA-N 2 0 315.383 2.650 20 0 DFADRP CC(C)CC[C@H]1CCC[C@@H]1[NH2+]CCCN1CCC[C@H]1C(N)=O ZINC000624085455 399548499 /nfs/dbraw/zinc/54/84/99/399548499.db2.gz WDZPWTUEYHXVGF-IKGGRYGDSA-N 2 0 309.498 2.521 20 0 DFADRP CCO[C@@H]1C[C@H]([NH2+][C@@H](C)C[C@@H]2CCCCC[NH2+]2)C12CCOCC2 ZINC000423054377 296372664 /nfs/dbraw/zinc/37/26/64/296372664.db2.gz UQTLDASKTPNQDL-XLAORIBOSA-N 2 0 324.509 2.861 20 0 DFADRP C[C@H](CCCC[NH3+])[NH2+]CCN1CCc2c(Cl)cccc2C1 ZINC000423053256 296372346 /nfs/dbraw/zinc/37/23/46/296372346.db2.gz ADXSUQMQCHUCRE-CQSZACIVSA-N 2 0 309.885 2.805 20 0 DFADRP CCOC(=O)C1([C@H](C)[NH2+][C@H]2CCCC(C)(C)C2)CC[NH2+]CC1 ZINC000423059451 296373287 /nfs/dbraw/zinc/37/32/87/296373287.db2.gz LSLWBDGGTRZHHF-GJZGRUSLSA-N 2 0 310.482 2.866 20 0 DFADRP C[C@]1(CNC2C[C@H]3CC[C@@H](C2)[NH2+]3)CCC[N@@H+]1Cc1ccccc1 ZINC000423066406 296374249 /nfs/dbraw/zinc/37/42/49/296374249.db2.gz WVTQWZIAIDECQV-JIRNRHONSA-N 2 0 313.489 2.914 20 0 DFADRP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1[NH2+]C[C@@H](c1ccccc1)C(F)(F)F ZINC000423066596 296374277 /nfs/dbraw/zinc/37/42/77/296374277.db2.gz XJIGQQVCDZUHEY-MXAVVETBSA-N 2 0 316.367 2.674 20 0 DFADRP COCCC1(C[NH2+][C@@H]2CCOC[C@H]2[C@@H]2CCC[NH2+]2)CCCCC1 ZINC000423065566 296374308 /nfs/dbraw/zinc/37/43/08/296374308.db2.gz UUMXDYOZBTWOML-OKZBNKHCSA-N 2 0 324.509 2.720 20 0 DFADRP C[C@H](C[C@H](C)[NH3+])[NH2+][C@@H]1CCN(c2ccccc2C(F)(F)F)C1 ZINC000423066780 296374037 /nfs/dbraw/zinc/37/40/37/296374037.db2.gz XVTSTXHPCCICIM-YNEHKIRRSA-N 2 0 315.383 3.000 20 0 DFADRP C([NH2+][C@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1)[C@H]1CCCCN1C1CC1 ZINC000423075249 296375223 /nfs/dbraw/zinc/37/52/23/296375223.db2.gz OCNHKTWDAPMVQM-HCXYKTFWSA-N 2 0 305.510 2.904 20 0 DFADRP CCCNc1ccc(C[NH2+][C@@H]2CCOC[C@H]2[C@H]2CCC[NH2+]2)cc1 ZINC000423073010 296375352 /nfs/dbraw/zinc/37/53/52/296375352.db2.gz IBCQTEIPRGWUCQ-IPMKNSEASA-N 2 0 317.477 2.755 20 0 DFADRP CO[C@H](CC[NH2+][C@@H](Cc1ccccc1)[C@@H](C)[NH3+])C(F)(F)F ZINC000423067100 296374652 /nfs/dbraw/zinc/37/46/52/296374652.db2.gz GIAFYROSOGJWNX-KWCYVHTRSA-N 2 0 304.356 2.502 20 0 DFADRP CC[C@H]([NH2+][C@@H]1CCc2cnn(C(C)C)c2C1)[C@@H]1CCCC[NH2+]1 ZINC000423072553 296374873 /nfs/dbraw/zinc/37/48/73/296374873.db2.gz JPGIWKKAAYDVSL-IKGGRYGDSA-N 2 0 304.482 2.832 20 0 DFADRP [NH3+]CC1CCC([NH2+]C[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000423083735 296376225 /nfs/dbraw/zinc/37/62/25/296376225.db2.gz GOJVOASIMYKOEG-AVAKVYKDSA-N 2 0 301.478 2.616 20 0 DFADRP C[C@H](O)[C@](C)(C[NH2+][C@H]1CCCC[C@@H]1C[NH3+])Cc1ccccc1 ZINC000423078501 296375850 /nfs/dbraw/zinc/37/58/50/296375850.db2.gz OQTOTMFXLZTEHP-NQYYFHDYSA-N 2 0 304.478 2.723 20 0 DFADRP C[C@H](NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1)[C@H]1CCC[NH2+]1 ZINC000423080347 296376011 /nfs/dbraw/zinc/37/60/11/296376011.db2.gz ABWXKBHENHXOOD-VYESFELBSA-N 2 0 319.415 2.522 20 0 DFADRP CC[NH+](CC)[C@H](C)CN[C@@H](c1ccc(OC)cc1)[C@H]1CCC[NH2+]1 ZINC000423087797 296376622 /nfs/dbraw/zinc/37/66/22/296376622.db2.gz QKHXWQCKFVMVFH-LZQZEXGQSA-N 2 0 319.493 2.808 20 0 DFADRP CSC1(C[NH2+][C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)CC1 ZINC000423088902 296377217 /nfs/dbraw/zinc/37/72/17/296377217.db2.gz RFIFBKYUUZGZIG-HOCLYGCPSA-N 2 0 304.459 2.728 20 0 DFADRP C[C@H](CCCC[NH3+])[NH2+]Cc1ccncc1OCC(F)(F)F ZINC000423098396 296377879 /nfs/dbraw/zinc/37/78/79/296377879.db2.gz KUPYYRLYXXPJNI-LLVKDONJSA-N 2 0 305.344 2.630 20 0 DFADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+][C@H]1CC[C@@H](C(=O)N2CCCC2)C1 ZINC000423097272 296377917 /nfs/dbraw/zinc/37/79/17/296377917.db2.gz QPCXPKFERQIBFY-BDXSIMOUSA-N 2 0 321.509 2.678 20 0 DFADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]C[C@H](CO)CC1CCCC1 ZINC000423099816 296378278 /nfs/dbraw/zinc/37/82/78/296378278.db2.gz MLZPFIHVOHOVIH-XJKSGUPXSA-N 2 0 305.466 2.688 20 0 DFADRP C[NH+](C)Cc1cccc(C(=O)NC[C@@H]2CC[N@@H+](C(C)(C)C)C2)c1 ZINC000616996511 399558625 /nfs/dbraw/zinc/55/86/25/399558625.db2.gz JQLYCVIMXQIBOK-INIZCTEOSA-N 2 0 317.477 2.598 20 0 DFADRP CCCC[N@H+](C)CC1CC[NH+]([C@@H](C)C(=O)NCC(C)C)CC1 ZINC000120241426 195125790 /nfs/dbraw/zinc/12/57/90/195125790.db2.gz DVYDNIHWZOHYAM-INIZCTEOSA-N 2 0 311.514 2.591 20 0 DFADRP C[C@@H]1COCC[C@@H]1C[NH2+][C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423109045 296379186 /nfs/dbraw/zinc/37/91/86/296379186.db2.gz NDIJWANNKBRDAJ-LFEHRJTNSA-N 2 0 316.445 2.505 20 0 DFADRP C[NH+](C)Cc1cccc(C(=O)NC[C@H]2CC[N@@H+](C(C)(C)C)C2)c1 ZINC000616996512 399559348 /nfs/dbraw/zinc/55/93/48/399559348.db2.gz JQLYCVIMXQIBOK-MRXNPFEDSA-N 2 0 317.477 2.598 20 0 DFADRP FC(F)Oc1cc(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)ccn1 ZINC000423106154 296378987 /nfs/dbraw/zinc/37/89/87/296378987.db2.gz OKUQFAYAXZMBHG-MELADBBJSA-N 2 0 311.376 2.693 20 0 DFADRP CCC[N@H+](C)[C@@H](CN[C@H](C)C1C[NH2+]C1)c1ccc(Cl)cc1 ZINC000423111774 296379638 /nfs/dbraw/zinc/37/96/38/296379638.db2.gz WNNZFXHTOBZMNC-DYVFJYSZSA-N 2 0 309.885 2.920 20 0 DFADRP C[C@@H](CCC[NH3+])[NH2+][C@@H]1CCOc2c(Br)cccc21 ZINC000423110417 296379762 /nfs/dbraw/zinc/37/97/62/296379762.db2.gz HZMVSQDEWKDMCS-GXFFZTMASA-N 2 0 313.239 2.990 20 0 DFADRP FC1(F)CCCC[C@H](C[NH2+][C@@H]2CCOC[C@H]2[C@H]2CCC[NH2+]2)C1 ZINC000423121941 296381326 /nfs/dbraw/zinc/38/13/26/296381326.db2.gz BIJJEYLZWVXYFJ-CAOSSQGBSA-N 2 0 316.436 2.949 20 0 DFADRP CC(C)Oc1ccc([C@@H](C[NH2+]C2CCC([NH3+])CC2)N(C)C)cc1 ZINC000423123656 296380962 /nfs/dbraw/zinc/38/09/62/296380962.db2.gz LLEHAXMVUHKSAJ-FAFZWHIHSA-N 2 0 319.493 2.936 20 0 DFADRP OC[C@]1(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)C[C@H]1c1ccccc1 ZINC000423129375 296381973 /nfs/dbraw/zinc/38/19/73/296381973.db2.gz WYYAUDIHTVZFLX-LCWAXJCOSA-N 2 0 314.473 2.663 20 0 DFADRP Cc1cccc2c1OC[C@@H]([NH2+][C@H](C)c1ccc(C[NH3+])nc1C)C2 ZINC000423133765 296382542 /nfs/dbraw/zinc/38/25/42/296382542.db2.gz CWBZVNYWKRNTLB-PBHICJAKSA-N 2 0 311.429 2.811 20 0 DFADRP CC(C)Oc1ccc([C@H](CN[C@H]2C[NH2+]CC[C@@H]2C)[NH+](C)C)cc1 ZINC000423134105 296382705 /nfs/dbraw/zinc/38/27/05/296382705.db2.gz WLTAFLXVQUNFID-SNRMKQJTSA-N 2 0 319.493 2.664 20 0 DFADRP CC(C)Oc1ccc([C@H](CN[C@H]2C[NH2+]CC[C@H]2C)[NH+](C)C)cc1 ZINC000423134104 296382795 /nfs/dbraw/zinc/38/27/95/296382795.db2.gz WLTAFLXVQUNFID-MNEFBYGVSA-N 2 0 319.493 2.664 20 0 DFADRP Cn1nc2c(c1C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1)CCCC2 ZINC000423135675 296382933 /nfs/dbraw/zinc/38/29/33/296382933.db2.gz GBYKOERPDIYPSL-HYVNUMGLSA-N 2 0 316.493 2.699 20 0 DFADRP C=Cc1ccc(CC[NH2+][C@@H]2CCOC[C@@H]2[C@H]2CCC[NH2+]2)cc1 ZINC000423131563 296382375 /nfs/dbraw/zinc/38/23/75/296382375.db2.gz APJYTXHXXFHCIV-GUDVDZBRSA-N 2 0 300.446 2.619 20 0 DFADRP CSc1ccc([C@H](C[NH2+][C@@H]2CC[NH2+]CC[C@@H]2C)N(C)C)cc1 ZINC000423142923 296384154 /nfs/dbraw/zinc/38/41/54/296384154.db2.gz BQMWPMPDLUZPKV-QGTPRVQTSA-N 2 0 321.534 2.989 20 0 DFADRP CCOC(=O)C1([C@H](C)[NH2+]CCC(C)(C)C2CC2)CC[NH2+]CC1 ZINC000423138769 296383568 /nfs/dbraw/zinc/38/35/68/296383568.db2.gz UAPFZVKWROAPHF-AWEZNQCLSA-N 2 0 310.482 2.724 20 0 DFADRP C[C@H]([NH2+]CCN1CC[NH+](Cc2ccccc2)CC1)c1ccccn1 ZINC000158496323 197278411 /nfs/dbraw/zinc/27/84/11/197278411.db2.gz LSQPOKGWDHXCNI-SFHVURJKSA-N 2 0 324.472 2.550 20 0 DFADRP CCCOc1c(OC)cc(CC[NH2+][C@@H]2CCC[C@@H]2[NH3+])cc1OC ZINC000423146361 296384703 /nfs/dbraw/zinc/38/47/03/296384703.db2.gz AIJCWHHBPVJOBE-LSDHHAIUSA-N 2 0 322.449 2.505 20 0 DFADRP CCO[C@@H]1C[C@H]([NH2+][C@H](C)C[C@H]2CCCCC[NH2+]2)[C@H]1n1cccn1 ZINC000423151008 296385500 /nfs/dbraw/zinc/38/55/00/296385500.db2.gz ZNQYHENXHGQLBF-UYTYNIKBSA-N 2 0 320.481 2.502 20 0 DFADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]CCOc1ccc(F)c(Cl)c1 ZINC000423152476 296385572 /nfs/dbraw/zinc/38/55/72/296385572.db2.gz FGFPGYCVHUYJFX-IAQYHMDHSA-N 2 0 300.805 2.836 20 0 DFADRP c1ccc2c(c1)CC[C@@H]2CC[NH2+][C@@H]1CCOC[C@H]1[C@H]1CCC[NH2+]1 ZINC000423150002 296385599 /nfs/dbraw/zinc/38/55/99/296385599.db2.gz YJVBXCKXVCRYFR-GSEOLPGOSA-N 2 0 314.473 2.853 20 0 DFADRP O[C@H](C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1)Cc1cccc(F)c1 ZINC000423149102 296385304 /nfs/dbraw/zinc/38/53/04/296385304.db2.gz WZMXXDFMVGMENS-ZSYWTGECSA-N 2 0 320.452 2.630 20 0 DFADRP CO[C@H](C[NH2+][C@@H](C)c1ccc(C[NH3+])nc1C)Cc1ccccc1 ZINC000423157024 296386209 /nfs/dbraw/zinc/38/62/09/296386209.db2.gz MEZOUAHLFJKKDC-KSSFIOAISA-N 2 0 313.445 2.757 20 0 DFADRP CC[C@H]([NH2+][C@@H]1CCO[C@H](c2cccnc2)C1)[C@H]1CCCC[NH2+]1 ZINC000423151992 296385620 /nfs/dbraw/zinc/38/56/20/296385620.db2.gz LDGSOJLLGOGAEI-XDNAFOTISA-N 2 0 303.450 2.812 20 0 DFADRP C[C@H]1C[NH+](CC2CC[NH+](CC3CCC(=O)CC3)CC2)C[C@H](C)O1 ZINC000347744740 285156151 /nfs/dbraw/zinc/15/61/51/285156151.db2.gz HSUJEKCUTVKYFL-HOTGVXAUSA-N 2 0 322.493 2.567 20 0 DFADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]CC(C)(C)C1(O)CCCC1 ZINC000423158778 296386509 /nfs/dbraw/zinc/38/65/09/296386509.db2.gz DFWAUZIPIYTIIA-ZDUSSCGKSA-N 2 0 305.466 2.831 20 0 DFADRP CC(C)O[C@H]1C[C@@H]([NH2+][C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)C1 ZINC000423165431 296387344 /nfs/dbraw/zinc/38/73/44/296387344.db2.gz PZUNVBXIZKVWFU-LORHWOILSA-N 2 0 316.445 2.788 20 0 DFADRP COc1cccc2c1C[C@H]([NH2+][C@H](C)c1ccc(C[NH3+])nc1C)C2 ZINC000423166796 296387428 /nfs/dbraw/zinc/38/74/28/296387428.db2.gz DHEHONSEBMXAHJ-CZUORRHYSA-N 2 0 311.429 2.675 20 0 DFADRP C[C@H]([NH2+]CCCN1CC[NH2+]CC1)c1ccccc1C(C)(C)C ZINC000423174621 296388057 /nfs/dbraw/zinc/38/80/57/296388057.db2.gz BMFWAFDCKKMCQG-INIZCTEOSA-N 2 0 303.494 2.930 20 0 DFADRP C[C@@H]([NH2+]CCC[NH3+])c1ccc(OC(F)F)cc1OC(F)F ZINC000423179600 296388940 /nfs/dbraw/zinc/38/89/40/296388940.db2.gz MQVNYRGQIDPELZ-MRVPVSSYSA-N 2 0 310.291 2.889 20 0 DFADRP C[C@H]([NH2+]CCCN1CC[NH2+]CC1)c1cc2c(s1)CCCC2 ZINC000423177514 296388580 /nfs/dbraw/zinc/38/85/80/296388580.db2.gz IYYZRGIWGKPPEA-AWEZNQCLSA-N 2 0 307.507 2.573 20 0 DFADRP C[C@@H](NCC1([NH3+])CCCCC1)c1cccc(OCC[NH+](C)C)c1 ZINC000423180059 296388881 /nfs/dbraw/zinc/38/88/81/296388881.db2.gz NIYXOBFZCCRBNU-MRXNPFEDSA-N 2 0 319.493 2.939 20 0 DFADRP c1ccc(C[N@@H+]2CC[C@H](N[C@@H]3CCC[NH2+]C3)[C@H]3CCC[C@H]32)cc1 ZINC000423188314 296390146 /nfs/dbraw/zinc/39/01/46/296390146.db2.gz LODFVJHFLRMHNH-YSTOQKLRSA-N 3 0 313.489 2.771 20 0 DFADRP Fc1ccccc1[C@H]([NH2+]CCCN1CC[NH2+]CC1)C1CCCC1 ZINC000423193557 296390748 /nfs/dbraw/zinc/39/07/48/296390748.db2.gz WYAFROVQDWKBHW-LJQANCHMSA-N 2 0 319.468 2.942 20 0 DFADRP CCN(C#N)CC[NH+]1CCC(CC[N@H+](CC)CC2CC2)CC1 ZINC000602797008 399578274 /nfs/dbraw/zinc/57/82/74/399578274.db2.gz GZIRLHTVJWVGOM-UHFFFAOYSA-N 2 0 306.498 2.623 20 0 DFADRP C[C@H](Cc1cn(C)c2ccc(F)cc12)[NH2+][C@@H](C)[C@@H]1CCC[NH2+]1 ZINC000423195923 296391111 /nfs/dbraw/zinc/39/11/11/296391111.db2.gz YMIYUCRRGVFUMC-IGCXYCKISA-N 2 0 303.425 2.979 20 0 DFADRP C[C@H]([NH2+]CCN1CC[NH2+]CC1)c1cc(Cl)cc(Cl)c1 ZINC000423199254 296391567 /nfs/dbraw/zinc/39/15/67/296391567.db2.gz BBGGKMRIWJKCEA-NSHDSACASA-N 2 0 302.249 2.549 20 0 DFADRP C[NH2+]CCC[NH2+][C@H]1CCc2c1ccc(F)c2Br ZINC000423199113 296391609 /nfs/dbraw/zinc/39/16/09/296391609.db2.gz JBZWYXLFMLDVOC-LBPRGKRZSA-N 2 0 301.203 2.775 20 0 DFADRP C[C@H]([NH2+]CCN1CC[NH2+]CC1)c1cc(Cl)sc1Cl ZINC000423202957 296392355 /nfs/dbraw/zinc/39/23/55/296392355.db2.gz LQGDILNSIBDBPF-VIFPVBQESA-N 2 0 308.278 2.611 20 0 DFADRP C[C@H]([NH2+]CCN1CC[NH2+]CC1)c1cc(Cl)ccc1Cl ZINC000423207162 296392638 /nfs/dbraw/zinc/39/26/38/296392638.db2.gz RHXBHCAUQAEYOE-NSHDSACASA-N 2 0 302.249 2.549 20 0 DFADRP Cc1nn(C)c2sc([C@H](C)[NH2+]C3C[C@H]4CC[C@@H](C3)[NH2+]4)cc12 ZINC000423211137 296392738 /nfs/dbraw/zinc/39/27/38/296392738.db2.gz HZPXUHDMRFAQSO-ACJTYDJDSA-N 2 0 304.463 2.877 20 0 DFADRP COc1cc2c(cc1OC)[C@H]([NH2+]C1C[C@H]3CC[C@@H](C1)[NH2+]3)CC2 ZINC000423209440 296392862 /nfs/dbraw/zinc/39/28/62/296392862.db2.gz FYNBCWMWSBBBKJ-LBEMJPCMSA-N 2 0 302.418 2.564 20 0 DFADRP COC(=O)CCC[C@H]1CCC[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000423211179 296392895 /nfs/dbraw/zinc/39/28/95/296392895.db2.gz IEWFHNQOFCQAFX-DNLWUEFJSA-N 2 0 308.466 2.761 20 0 DFADRP Brc1cccc2c1C[C@H]([NH2+]C[C@H]1CCC[NH2+]C1)CC2 ZINC000423215042 296393329 /nfs/dbraw/zinc/39/33/29/296393329.db2.gz QBECDALQNMFRRL-GXTWGEPZSA-N 2 0 323.278 2.896 20 0 DFADRP Brc1cccc2c1C[C@@H]([NH2+]C[C@H]1CCC[NH2+]C1)CC2 ZINC000423215043 296393434 /nfs/dbraw/zinc/39/34/34/296393434.db2.gz QBECDALQNMFRRL-JSGCOSHPSA-N 2 0 323.278 2.896 20 0 DFADRP CCO[C@@H]1C[C@H]([NH2+][C@H](C)[C@H]2CCC[NH2+]C2)[C@@H]1Oc1ccccc1 ZINC000423218931 296393615 /nfs/dbraw/zinc/39/36/15/296393615.db2.gz SNENLOJIWGYHFZ-QDSNELGPSA-N 2 0 318.461 2.589 20 0 DFADRP C[C@H](Cc1ccccc1)[NH+]1CCC(NC[C@H]2CCC[NH2+]C2)CC1 ZINC000423218156 296393788 /nfs/dbraw/zinc/39/37/88/296393788.db2.gz VDRVFPICLOCKJL-MJGOQNOKSA-N 2 0 315.505 2.671 20 0 DFADRP c1c2c(cc3c1OCCC[C@@H]3[NH2+]C[C@H]1CCC[NH2+]C1)CCC2 ZINC000423221490 296394012 /nfs/dbraw/zinc/39/40/12/296394012.db2.gz ZYZZIHDAIAJDJM-KSSFIOAISA-N 2 0 300.446 2.978 20 0 DFADRP C[C@H]([NH3+])CC[NH2+][C@H]1CCCOc2cc(Br)ccc21 ZINC000423222184 296394074 /nfs/dbraw/zinc/39/40/74/296394074.db2.gz ADFNTAQCWLBHAE-GWCFXTLKSA-N 2 0 313.239 2.990 20 0 DFADRP C[C@H](N[C@@H]1CC[N@H+](C)[C@H](c2ccccc2)C1)[C@H]1CCC[NH2+]C1 ZINC000423221667 296394112 /nfs/dbraw/zinc/39/41/12/296394112.db2.gz XNKLBJSJMYJUCO-KANFNMMFSA-N 2 0 301.478 2.800 20 0 DFADRP C[C@H]([NH3+])CC[NH2+][C@@H](C)Cc1ccc(F)cc1Br ZINC000423227144 296394596 /nfs/dbraw/zinc/39/45/96/296394596.db2.gz UPUBYHAZWUMZDK-UWVGGRQHSA-N 2 0 303.219 2.846 20 0 DFADRP Fc1ccc([C@H](C[C@@H]2CCOC2)[NH2+]CC[C@@H]2CC[NH2+]C2)cc1 ZINC000423241100 296396109 /nfs/dbraw/zinc/39/61/09/296396109.db2.gz CZOUJTAKVZVOOR-MPGHIAIKSA-N 2 0 306.425 2.883 20 0 DFADRP COCCOc1ccc([C@H](C)[NH2+][C@@H]2CCCC[C@H]2C[NH3+])cc1 ZINC000423263554 296398146 /nfs/dbraw/zinc/39/81/46/296398146.db2.gz BAHCYHQDEVTVCZ-QILLFSRXSA-N 2 0 306.450 2.880 20 0 DFADRP C[C@@H](CCc1ccc(Cl)s1)[NH2+]CC1([NH3+])CCOCC1 ZINC000629388093 399591821 /nfs/dbraw/zinc/59/18/21/399591821.db2.gz MTVMRJUEZCQHIZ-NSHDSACASA-N 2 0 302.871 2.820 20 0 DFADRP C[C@H]([NH2+]CC[C@H]1CCC[NH2+]C1)c1cccc(N2CCOCC2)c1 ZINC000423256727 296397398 /nfs/dbraw/zinc/39/73/98/296397398.db2.gz FVSZEBPIPDWIHQ-DLBZAZTESA-N 2 0 317.477 2.564 20 0 DFADRP COc1cccc(C[C@H]([NH2+]CC[C@H]2CCC[NH2+]C2)C2CC2)c1 ZINC000423259763 296397573 /nfs/dbraw/zinc/39/75/73/296397573.db2.gz OUMMMIQUNGZQOK-BEFAXECRSA-N 2 0 302.462 2.996 20 0 DFADRP [NH3+]CCCOCC[NH2+]Cc1cccc(Oc2ccccc2)c1 ZINC000629397616 399593368 /nfs/dbraw/zinc/59/33/68/399593368.db2.gz APHKHFGBPPMJDZ-UHFFFAOYSA-N 2 0 300.402 2.934 20 0 DFADRP CC1(C)CC([NH2+]Cc2cn([C@H]3CC[NH2+]C3)nn2)CC(C)(C)C1 ZINC000629401805 399593540 /nfs/dbraw/zinc/59/35/40/399593540.db2.gz FVNIOZKEJGSKGO-HNNXBMFYSA-N 2 0 305.470 2.507 20 0 DFADRP C[C@H]([NH2+][C@@H]1CCC[C@H]1C[NH3+])c1ccc(-n2cncn2)cc1Cl ZINC000423264895 296398462 /nfs/dbraw/zinc/39/84/62/296398462.db2.gz CLXWIRTZSYIHOO-MQIPJXDCSA-N 2 0 319.840 2.699 20 0 DFADRP C[C@@H]([NH2+]CC[C@H]1CCC[NH2+]C1)c1ncc(Br)s1 ZINC000423260957 296397978 /nfs/dbraw/zinc/39/79/78/296397978.db2.gz QYUXHJPWRQRGGL-NXEZZACHSA-N 2 0 318.284 2.946 20 0 DFADRP CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@H]2CCC[C@@H]2C[NH3+])c2ccccc21 ZINC000423271793 296399170 /nfs/dbraw/zinc/39/91/70/296399170.db2.gz JJIPLMOOCODLDG-ZSGPHXLJSA-N 2 0 316.445 2.885 20 0 DFADRP CC(C)C[C@H](C[NH3+])N[C@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000423271564 296399228 /nfs/dbraw/zinc/39/92/28/296399228.db2.gz YACNVWXVPXISIF-BHIYHBOVSA-N 2 0 303.494 2.860 20 0 DFADRP COc1ccc(C[C@H](C)[NH2+][C@H]2CCC[C@@H]2C[NH3+])c(C)c1OC ZINC000423271332 296399266 /nfs/dbraw/zinc/39/92/66/296399266.db2.gz IYJVGDOCFAJAMA-MAZHCROVSA-N 2 0 306.450 2.660 20 0 DFADRP COC(=O)CCC[C@@H]1CCC[C@H]([NH2+][C@@H]2CCCC[C@H]2C[NH3+])C1 ZINC000423271480 296399300 /nfs/dbraw/zinc/39/93/00/296399300.db2.gz HPGGZLIYVFCPHN-LUKYLMHMSA-N 2 0 310.482 2.996 20 0 DFADRP C[C@@H](C[NH2+]Cc1cn([C@@H]2CC[NH2+]C2)nn1)CC1CCCCC1 ZINC000629407026 399595482 /nfs/dbraw/zinc/59/54/82/399595482.db2.gz VRUNFNQSJWPARF-RHSMWYFYSA-N 2 0 305.470 2.509 20 0 DFADRP CC(C)(C)C1CCC(C[NH2+]Cc2cn([C@@H]3CC[NH2+]C3)nn2)CC1 ZINC000629405346 399595566 /nfs/dbraw/zinc/59/55/66/399595566.db2.gz JATHSWWDIODDJY-VMBOVVBDSA-N 2 0 319.497 2.755 20 0 DFADRP C[C@H]([NH2+][C@@H]1CCCC[C@@H]1C[NH3+])c1ccc(OCC[NH+](C)C)cc1 ZINC000423265948 296398586 /nfs/dbraw/zinc/39/85/86/296398586.db2.gz BLVSKNWFPZGMNW-KVSKMBFKSA-N 3 0 319.493 2.795 20 0 DFADRP CC[C@H]([NH2+]CC[C@@H]1CCC[NH2+]C1)c1ccc(C(=O)OC)cc1 ZINC000423268783 296398846 /nfs/dbraw/zinc/39/88/46/296398846.db2.gz GLTLGIYHYCYAJZ-YOEHRIQHSA-N 2 0 304.434 2.904 20 0 DFADRP C[C@H]([NH2+][C@@H]1CCCC[C@@H]1C[NH3+])c1cccc(OCC[NH+](C)C)c1 ZINC000423276825 296399792 /nfs/dbraw/zinc/39/97/92/296399792.db2.gz NIJGSDPOOWJRLK-KVSKMBFKSA-N 3 0 319.493 2.795 20 0 DFADRP C[NH2+]C[C@@H](C)C[NH2+][C@@H](C)c1ccc(OCc2nccn2C)cc1 ZINC000423279406 296400376 /nfs/dbraw/zinc/40/03/76/296400376.db2.gz SJVUHCFXRBXNLY-CABCVRRESA-N 2 0 316.449 2.505 20 0 DFADRP C[C@H]([NH3+])c1ccc(C[NH2+][C@H]2CCO[C@H](C(F)(F)F)C2)cc1 ZINC000423290876 296401242 /nfs/dbraw/zinc/40/12/42/296401242.db2.gz FUHWQCQTYPHZHN-BPNCWPANSA-N 2 0 302.340 2.906 20 0 DFADRP CCN1CCC[C@H]1C[NH2+][C@@H](C)c1cccc(OCC[NH+](C)C)c1 ZINC000156562297 197123887 /nfs/dbraw/zinc/12/38/87/197123887.db2.gz VTZVEAVGPPRMNG-WMZOPIPTSA-N 2 0 319.493 2.762 20 0 DFADRP C[C@H](C[NH3+])C[NH2+][C@@H]1CCCOc2cc(Br)ccc21 ZINC000423301212 296402322 /nfs/dbraw/zinc/40/23/22/296402322.db2.gz SUCNHBMOJLSOAX-ZWNOBZJWSA-N 2 0 313.239 2.847 20 0 DFADRP C[C@@H]([NH2+]C[C@@H]1CCCCO1)c1cccc(OCC[NH+](C)C)c1 ZINC000156404378 197109960 /nfs/dbraw/zinc/10/99/60/197109960.db2.gz VKMUMGVWDVCUGZ-QAPCUYQASA-N 2 0 306.450 2.847 20 0 DFADRP C[C@@H](C[NH3+])C[NH2+][C@@H]1CCc2c1ccc(F)c2Br ZINC000423308129 296402693 /nfs/dbraw/zinc/40/26/93/296402693.db2.gz NXUCKNOLPJNNIN-QPUJVOFHSA-N 2 0 301.203 2.760 20 0 DFADRP C[C@@H]([NH2+]CC1(C)CC[NH2+]CC1)c1cnn(Cc2ccccc2)c1 ZINC000423315760 296403183 /nfs/dbraw/zinc/40/31/83/296403183.db2.gz AGBGLGKCTOXYHF-MRXNPFEDSA-N 2 0 312.461 2.972 20 0 DFADRP C[C@@H]([NH3+])c1ccc(C(=O)N[C@H](C[NH+](C)C)c2ccccc2)cc1 ZINC000423307600 296402633 /nfs/dbraw/zinc/40/26/33/296402633.db2.gz HJCFYTDWKXANGN-RDTXWAMCSA-N 2 0 311.429 2.739 20 0 DFADRP Clc1cccc([C@@H](Cc2cccnc2)[NH2+]CC2C[NH2+]C2)c1 ZINC000423316526 296403300 /nfs/dbraw/zinc/40/33/00/296403300.db2.gz JTIHGGMTQSGYOH-QGZVFWFLSA-N 2 0 301.821 2.828 20 0 DFADRP Cn1cc([C@H]([NH2+]CC2(C)CC[NH2+]CC2)c2cccc(F)c2)cn1 ZINC000423319781 296404126 /nfs/dbraw/zinc/40/41/26/296404126.db2.gz DXJYDAFMNXBKCI-QGZVFWFLSA-N 2 0 316.424 2.628 20 0 DFADRP CCc1ccc(C[N@H+]2CC[C@@H](OCC[NH+](CC)CC)C2)cn1 ZINC000347858694 285212292 /nfs/dbraw/zinc/21/22/92/285212292.db2.gz GXWMNNJEKVAVFS-GOSISDBHSA-N 2 0 305.466 2.577 20 0 DFADRP CC[NH+](CC)Cc1cccc(CNC(=O)[C@@H]2C[C@@H](C)CC[NH2+]2)c1 ZINC000423327931 296404898 /nfs/dbraw/zinc/40/48/98/296404898.db2.gz NJAWNRKCFMBGDB-YJBOKZPZSA-N 2 0 317.477 2.533 20 0 DFADRP C[C@H]([NH2+]CC1=CC[NH2+]CC1)c1ccc(F)cc1OC(F)F ZINC000423331094 296405182 /nfs/dbraw/zinc/40/51/82/296405182.db2.gz CGOQJZYAUMTHSZ-JTQLQIEISA-N 2 0 300.324 2.997 20 0 DFADRP C[NH+](C)[C@@H](CNC(=O)[C@@H]([NH3+])CC1CCCCC1)c1ccsc1 ZINC000423339565 296406349 /nfs/dbraw/zinc/40/63/49/296406349.db2.gz VJRVUGGCVMTOSP-HOTGVXAUSA-N 2 0 323.506 2.765 20 0 DFADRP C[NH+](C)[C@@H](CNC(=O)[C@H]([NH3+])CC1CCCCC1)c1ccsc1 ZINC000423339563 296406424 /nfs/dbraw/zinc/40/64/24/296406424.db2.gz VJRVUGGCVMTOSP-CVEARBPZSA-N 2 0 323.506 2.765 20 0 DFADRP C[NH+](C)[C@H](CNC(=O)[C@@H]([NH3+])CC1CCCCC1)c1ccsc1 ZINC000423339570 296406467 /nfs/dbraw/zinc/40/64/67/296406467.db2.gz VJRVUGGCVMTOSP-JKSUJKDBSA-N 2 0 323.506 2.765 20 0 DFADRP CC(C)NC(=O)Nc1ccc([C@H](C)[NH2+]CC2=CC[NH2+]CC2)cc1 ZINC000423349806 296407503 /nfs/dbraw/zinc/40/75/03/296407503.db2.gz XNUPUZLZKLNDLC-AWEZNQCLSA-N 2 0 316.449 2.787 20 0 DFADRP COc1cccc(C[C@@H]([NH2+]C[C@@]2(C)CCC[NH2+]C2)C2CC2)c1 ZINC000423347488 296407005 /nfs/dbraw/zinc/40/70/05/296407005.db2.gz RJWIJLFKGLERKV-MOPGFXCFSA-N 2 0 302.462 2.996 20 0 DFADRP COc1cc([C@H](C)[NH2+]C[C@H]2CC[NH2+]C2)ccc1OC(F)F ZINC000423349860 296407323 /nfs/dbraw/zinc/40/73/23/296407323.db2.gz WKEMPNZFAVAVGB-QWRGUYRKSA-N 2 0 300.349 2.557 20 0 DFADRP C[C@@H]1CC[NH2+][C@@H](C(=O)Nc2ccc(CC[NH+]3CCCC3)cc2)C1 ZINC000423354368 296407943 /nfs/dbraw/zinc/40/79/43/296407943.db2.gz NKHRMXDRKBOIJU-CRAIPNDOSA-N 2 0 315.461 2.652 20 0 DFADRP COc1cccc2c1CC[C@H]([NH2+]Cc1ccc3c(c1)C[NH2+]C3)C2 ZINC000423369554 296409429 /nfs/dbraw/zinc/40/94/29/296409429.db2.gz FCOINKCXTXELBX-SFHVURJKSA-N 2 0 308.425 2.946 20 0 DFADRP CCc1ccc([C@@H](CC)[NH2+][C@H](C)CN2CC[NH+](C)CC2)cc1 ZINC000154991512 197011501 /nfs/dbraw/zinc/01/15/01/197011501.db2.gz COCKAFXYNDOKAD-VQIMIIECSA-N 2 0 303.494 2.926 20 0 DFADRP CC[C@@H]([NH2+]CC1(COC)CC[NH2+]CC1)c1ccc(OC)cc1 ZINC000423387187 296411476 /nfs/dbraw/zinc/41/14/76/296411476.db2.gz JRUBNDLGXZAQFS-QGZVFWFLSA-N 2 0 306.450 2.752 20 0 DFADRP O[C@@H]1C[NH2+]C[C@H]1C[NH2+][C@@H](CCc1ccccc1)c1ccccc1 ZINC000423400670 296412651 /nfs/dbraw/zinc/41/26/51/296412651.db2.gz FXGSJPIKYMADFY-SLFFLAALSA-N 2 0 310.441 2.530 20 0 DFADRP OC1(C[NH2+][C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)CCC1 ZINC000367997819 285239627 /nfs/dbraw/zinc/23/96/27/285239627.db2.gz GLLMHZUEEBKOLF-IPMKNSEASA-N 2 0 314.473 2.792 20 0 DFADRP Cc1ccsc1[C@H](Cc1ccccc1)[NH2+]C[C@H]1C[NH2+]C[C@@H]1O ZINC000423411725 296414058 /nfs/dbraw/zinc/41/40/58/296414058.db2.gz VDWRDWNMTRYMSC-IKGGRYGDSA-N 2 0 316.470 2.510 20 0 DFADRP CC(=O)NCCc1ccc([C@H](C)[NH2+][C@H](C)CCCC[NH3+])cc1 ZINC000423447678 296417355 /nfs/dbraw/zinc/41/73/55/296417355.db2.gz ZXHAWLXGRNVWDU-CABCVRRESA-N 2 0 305.466 2.533 20 0 DFADRP COC(=O)c1cc(C[N@@H+]2CCC3(C2)CC[NH+](C)CC3)c(C)s1 ZINC000602878519 399612265 /nfs/dbraw/zinc/61/22/65/399612265.db2.gz XXKKRBDODOGGFW-UHFFFAOYSA-N 2 0 322.474 2.761 20 0 DFADRP COc1ccc(OC)c([C@@H](C)[NH2+][C@@H]2C[C@H]2C2CC[NH2+]CC2)c1 ZINC000423435549 296416516 /nfs/dbraw/zinc/41/65/16/296416516.db2.gz LCXHPHUREFNYOJ-OAUYIBNBSA-N 2 0 304.434 2.743 20 0 DFADRP CCc1oc(C(=O)OC)cc1C[N@@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC000602878811 399613980 /nfs/dbraw/zinc/61/39/80/399613980.db2.gz YTXUIWISHNVXDF-UHFFFAOYSA-N 2 0 320.433 2.546 20 0 DFADRP Cc1cc(C)n(CC[NH2+][C@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)n1 ZINC000347935601 285256298 /nfs/dbraw/zinc/25/62/98/285256298.db2.gz PZCVSDICIFBNAV-SJORKVTESA-N 2 0 304.482 2.743 20 0 DFADRP COCCOc1ccc([C@H](C)[NH2+]CCC[C@H]2CCC[NH2+]2)cc1 ZINC000423478263 296420032 /nfs/dbraw/zinc/42/00/32/296420032.db2.gz KXFXVQNDOVISEM-RDJZCZTQSA-N 2 0 306.450 2.895 20 0 DFADRP C[C@H]1COCC[C@H]1[NH2+]C[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC000423470631 296419096 /nfs/dbraw/zinc/41/90/96/296419096.db2.gz LNHLIMFUCIVFLR-OXXUSNJHSA-N 2 0 306.425 2.533 20 0 DFADRP C[C@H]([NH2+]CCC(=O)N1CCC[C@H]1C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000347934557 285255198 /nfs/dbraw/zinc/25/51/98/285255198.db2.gz OYBWJHCPOCUKIY-IXDOHACOSA-N 2 0 321.509 2.630 20 0 DFADRP CC(=O)NCCc1ccc([C@H](C)[NH2+]C[C@H]2CCC[C@H]([NH3+])C2)cc1 ZINC000423481013 296420234 /nfs/dbraw/zinc/42/02/34/296420234.db2.gz WMUKPRGHBFBPDK-FNHZYXHNSA-N 2 0 317.477 2.533 20 0 DFADRP Cc1noc(CCC[NH2+][C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)n1 ZINC000347943313 285261322 /nfs/dbraw/zinc/26/13/22/285261322.db2.gz WQLQFPIDOXRAOI-DZGCQCFKSA-N 2 0 306.454 2.553 20 0 DFADRP CC[NH+]1CCN(c2ccc(C[NH2+]C[C@H](C)CC(C)C)cn2)CC1 ZINC000347946592 285262690 /nfs/dbraw/zinc/26/26/90/285262690.db2.gz SAASTSMFBDYDOW-QGZVFWFLSA-N 2 0 318.509 2.995 20 0 DFADRP COc1ccc(C[C@H](C)[NH2+][C@@H]2CC[C@@H](C[NH3+])C2)c(C)c1OC ZINC000423520889 296425492 /nfs/dbraw/zinc/42/54/92/296425492.db2.gz WQALMTFKWPPEOR-JGGQBBKZSA-N 2 0 306.450 2.660 20 0 DFADRP Cc1nn(C)c2sc([C@@H](C)[NH2+]CCC3=CC[NH2+]CC3)cc12 ZINC000423534663 296427538 /nfs/dbraw/zinc/42/75/38/296427538.db2.gz AOCNJJPPJAZDMD-GFCCVEGCSA-N 2 0 304.463 2.904 20 0 DFADRP C[C@H]([NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1)c1ccnn1-c1ccccc1 ZINC000423536481 296427612 /nfs/dbraw/zinc/42/76/12/296427612.db2.gz AJSLZKVIKYAMFU-MWDXBVQZSA-N 2 0 310.445 2.911 20 0 DFADRP CC[C@H]([NH2+]CCC1=CC[NH2+]CC1)c1ccc2c(c1)OCCO2 ZINC000423539040 296427871 /nfs/dbraw/zinc/42/78/71/296427871.db2.gz OIHRJRSWDMJPRY-INIZCTEOSA-N 2 0 302.418 2.808 20 0 DFADRP COc1cccc(C[C@H]([NH2+]CCC2=CC[NH2+]CC2)C2CC2)c1 ZINC000423537136 296427887 /nfs/dbraw/zinc/42/78/87/296427887.db2.gz JGXWMWLBDMQSBZ-IBGZPJMESA-N 2 0 300.446 2.916 20 0 DFADRP CCOC(=O)[C@@H]1CC[C@H]([NH2+]CCC[NH2+]C2CC2)c2ccccc21 ZINC000423557701 296429269 /nfs/dbraw/zinc/42/92/69/296429269.db2.gz NNXJCDNCQNVVJX-MSOLQXFVSA-N 2 0 316.445 2.900 20 0 DFADRP COc1ccc([C@@H](C)[C@H](C)[NH2+]CCC[NH2+]C2CC2)cc1OC ZINC000423542434 296428201 /nfs/dbraw/zinc/42/82/01/296428201.db2.gz BAERVWJUHASBNE-KBPBESRZSA-N 2 0 306.450 2.928 20 0 DFADRP COc1ncc([C@H](C)[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)cc1Cl ZINC000423546599 296428399 /nfs/dbraw/zinc/42/83/99/296428399.db2.gz KNSUJCNOXYLJAU-AUZPSNTRSA-N 2 0 309.841 2.782 20 0 DFADRP CCOc1ccc(C[NH+]2CCC(C[NH+]3CCOCC3)CC2)cc1 ZINC000120717628 195223373 /nfs/dbraw/zinc/22/33/73/195223373.db2.gz TZHAZQPVZMRZKA-UHFFFAOYSA-N 2 0 318.461 2.630 20 0 DFADRP C[C@@H]([NH2+]Cc1ccc[nH]c1=O)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000624259648 399618985 /nfs/dbraw/zinc/61/89/85/399618985.db2.gz SDAXIEUHMNEYIQ-QAPCUYQASA-N 2 0 311.429 2.787 20 0 DFADRP C[NH+](C)C1(CNc2nccc(N3Cc4ccccc4C3)n2)CC1 ZINC000624285979 399626137 /nfs/dbraw/zinc/62/61/37/399626137.db2.gz DSHWZWJYEUUPMB-UHFFFAOYSA-N 2 0 309.417 2.503 20 0 DFADRP CC1(C)[C@@H](c2ccccc2)[C@@H]1[NH2+][C@@H]1CCOC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000629512470 399629410 /nfs/dbraw/zinc/62/94/10/399629410.db2.gz AMJRPVGJSLCKIU-LFDJNIOPSA-N 2 0 314.473 2.925 20 0 DFADRP CO[C@H]1C[C@H]([NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC000624299040 399630665 /nfs/dbraw/zinc/63/06/65/399630665.db2.gz CEMRYQAETAUMDG-YCEIQTCASA-N 2 0 300.446 2.949 20 0 DFADRP [NH3+][C@H]1CCC[C@@H]([NH2+][C@@H]2Cc3ccccc3O[C@H]2C(F)(F)F)C1 ZINC000629513078 399630666 /nfs/dbraw/zinc/63/06/66/399630666.db2.gz HOXXJRHWICVEIR-KYEXWDHISA-N 2 0 314.351 2.781 20 0 DFADRP c1ccc2c(c1)CO[C@H](C[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1)C2 ZINC000629513044 399630869 /nfs/dbraw/zinc/63/08/69/399630869.db2.gz JZLGXKBHTACRGO-CADBVGFASA-N 2 0 300.446 2.638 20 0 DFADRP C[C@@H](C(=O)NC[C@H](c1ccccc1)[NH+]1CCC(C)CC1)[NH+](C)C ZINC000078693068 542483394 /nfs/dbraw/zinc/48/33/94/542483394.db2.gz BKVMFQCUVFIDMO-FUHWJXTLSA-N 2 0 317.477 2.526 20 0 DFADRP Cc1cccc2c1C[C@H]([NH2+][C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1)CO2 ZINC000629515259 399632093 /nfs/dbraw/zinc/63/20/93/399632093.db2.gz RERLMUXGFHLICM-BURFUSLBSA-N 2 0 300.446 2.809 20 0 DFADRP Cc1cnccc1C[NH+]1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000294882939 224284073 /nfs/dbraw/zinc/28/40/73/224284073.db2.gz QXDVPGMDNDFNQI-CALCHBBNSA-N 2 0 317.477 2.711 20 0 DFADRP Cc1cccc2c1C[C@H]([NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1)CO2 ZINC000629515261 399631385 /nfs/dbraw/zinc/63/13/85/399631385.db2.gz RERLMUXGFHLICM-CIRFHOKZSA-N 2 0 300.446 2.809 20 0 DFADRP CCC[C@](C)(CO)[NH2+]Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000083469717 542502967 /nfs/dbraw/zinc/50/29/67/542502967.db2.gz BMVZSVBSFXGOTP-LJQANCHMSA-N 2 0 320.477 2.802 20 0 DFADRP C[NH+]1CCN(c2ncccc2C[NH2+][C@H]2CC[C@H]2C(C)(C)C)CC1 ZINC000348053820 285319904 /nfs/dbraw/zinc/31/99/04/285319904.db2.gz IQHGRCKHHPHNNU-SJORKVTESA-N 2 0 316.493 2.748 20 0 DFADRP CC[C@H]([NH2+]CCOCC[NH2+]C)c1cccc(Br)c1 ZINC000629528737 399636823 /nfs/dbraw/zinc/63/68/23/399636823.db2.gz ICENSQKZRRRJPN-AWEZNQCLSA-N 2 0 315.255 2.726 20 0 DFADRP CC[C@@H]1[NH2+]CC[C@H]1N[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000629526010 399636868 /nfs/dbraw/zinc/63/68/68/399636868.db2.gz IPKVTNVEGYHWRE-XGXHKWSGSA-N 2 0 301.478 2.627 20 0 DFADRP Brc1cnccc1C[N@@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000629533234 399637710 /nfs/dbraw/zinc/63/77/10/399637710.db2.gz OMFWLDQZKRQPNW-QWHCGFSZSA-N 2 0 324.266 2.666 20 0 DFADRP COC[C@H](CCC[NH3+])[NH2+]CCc1c(C)[nH]c2ccc(F)cc21 ZINC000629532926 399637912 /nfs/dbraw/zinc/63/79/12/399637912.db2.gz YUHUKKGYEHTYJI-AWEZNQCLSA-N 2 0 307.413 2.501 20 0 DFADRP C[NH2+]CCOCC[NH2+][C@H](Cc1ccc(F)cc1)c1ccccc1 ZINC000629530569 399637956 /nfs/dbraw/zinc/63/79/56/399637956.db2.gz KBGJGUWWKQXGJS-LJQANCHMSA-N 2 0 316.420 2.935 20 0 DFADRP [NH3+][C@H]1CCCO[C@@H]1C1CC[NH+](Cc2cc(O)ccc2Cl)CC1 ZINC000629535318 399639189 /nfs/dbraw/zinc/63/91/89/399639189.db2.gz DCJZSYWPPHCQOG-DLBZAZTESA-N 2 0 324.852 2.764 20 0 DFADRP C[C@@H]([NH2+]CCOCCC[NH3+])c1ccc(OC(F)(F)F)cc1 ZINC000629534612 399638883 /nfs/dbraw/zinc/63/88/83/399638883.db2.gz AZDZKIWQBBTDRX-LLVKDONJSA-N 2 0 306.328 2.601 20 0 DFADRP C[C@@H](Cc1ccccc1C(F)(F)F)[NH2+]CCOCCC[NH3+] ZINC000629540618 399640370 /nfs/dbraw/zinc/64/03/70/399640370.db2.gz VSQMJOHWRWPQKJ-LBPRGKRZSA-N 2 0 304.356 2.591 20 0 DFADRP [NH3+]C1CCC([NH2+][C@H]2CCN(c3ccc(Cl)cc3F)C2)CC1 ZINC000629543826 399641129 /nfs/dbraw/zinc/64/11/29/399641129.db2.gz FLQVXCXPCHPCFV-RUXDESIVSA-N 2 0 311.832 2.917 20 0 DFADRP C[C@H]([NH2+]CCOCCC[NH3+])c1nc(-c2ccccc2)cs1 ZINC000629542238 399641938 /nfs/dbraw/zinc/64/19/38/399641938.db2.gz XETOGZAEASMZQN-ZDUSSCGKSA-N 2 0 305.447 2.826 20 0 DFADRP Cc1ccc(SC[C@H](C)[NH2+]C[C@@H](O)C[NH+]2CCCC2)cc1 ZINC000629573854 399653423 /nfs/dbraw/zinc/65/34/23/399653423.db2.gz CIFJBWMEDHEPPK-JKSUJKDBSA-N 2 0 308.491 2.522 20 0 DFADRP C[N@H+](CCOCC[NH3+])CCSc1cc(Cl)ccc1Cl ZINC000629574657 399653554 /nfs/dbraw/zinc/65/35/54/399653554.db2.gz JPXXBFDVEHMNTC-UHFFFAOYSA-N 2 0 323.289 2.993 20 0 DFADRP Cc1ccc(C2(C[NH2+]C[C@@H](O)C[NH+]3CCCC3)CCC2)cc1C ZINC000629578926 399653638 /nfs/dbraw/zinc/65/36/38/399653638.db2.gz HKPBXSZXDTVOIN-LJQANCHMSA-N 2 0 316.489 2.771 20 0 DFADRP O[C@@H](C[NH2+]CCCCc1ccc(Cl)s1)C[NH+]1CCCC1 ZINC000629581240 399654899 /nfs/dbraw/zinc/65/48/99/399654899.db2.gz SRZSNIIXNHKAJR-ZDUSSCGKSA-N 2 0 316.898 2.771 20 0 DFADRP CC[C@@H](CC(F)F)C[NH+]1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000629591559 399657969 /nfs/dbraw/zinc/65/79/69/399657969.db2.gz JIMDYSGOCHNVOM-DZGCQCFKSA-N 2 0 304.425 2.758 20 0 DFADRP c1ccc(CN2CCCO[C@@H](C[NH+](C3CC3)C3CC3)C2)cc1 ZINC000625842561 399662593 /nfs/dbraw/zinc/66/25/93/399662593.db2.gz LBVLJRYVMVMWLU-LJQANCHMSA-N 2 0 300.446 2.904 20 0 DFADRP C[NH2+]CCOCCN(C)Cc1csc(C2CCCCC2)n1 ZINC000629571671 399651671 /nfs/dbraw/zinc/65/16/71/399651671.db2.gz ZVFIFFKEIBUMSB-UHFFFAOYSA-N 2 0 311.495 2.859 20 0 DFADRP C[NH2+]CCOCCN(C)Cc1ncc(-c2ccc(Cl)cc2)o1 ZINC000629568403 399651847 /nfs/dbraw/zinc/65/18/47/399651847.db2.gz UZYWOUYGMLSQSO-UHFFFAOYSA-N 2 0 323.824 2.663 20 0 DFADRP CC[C@@H]1[C@@H](C(=O)N[C@H](C)[C@H](c2ccccc2)[NH+](C)C)CC[N@@H+]1C ZINC000632517544 399682312 /nfs/dbraw/zinc/68/23/12/399682312.db2.gz MMPDROXXLJFHOJ-BZZMCLGOSA-N 2 0 317.477 2.524 20 0 DFADRP COc1ccccc1-c1ccc(C[NH2+]CCOCCC[NH3+])cc1 ZINC000629682014 399688982 /nfs/dbraw/zinc/68/89/82/399688982.db2.gz YCVZMGJFDSXNKX-UHFFFAOYSA-N 2 0 314.429 2.817 20 0 DFADRP C[NH+](C)Cc1ccc(-c2nc3c(s2)C[C@@H]([NH3+])CC3)cc1F ZINC000629708775 399697212 /nfs/dbraw/zinc/69/72/12/399697212.db2.gz LABWDKJBBHPGDR-LBPRGKRZSA-N 2 0 305.422 2.827 20 0 DFADRP CN1CC[NH+](Cc2ccccc2-c2ccc3c(c2)C[NH2+]CC3)CC1 ZINC000629735043 399707659 /nfs/dbraw/zinc/70/76/59/399707659.db2.gz FSFRQOZNPLUULH-UHFFFAOYSA-N 2 0 321.468 2.747 20 0 DFADRP C[N@@H+]1CCC[C@@H](CN[C@H]2C[NH+](Cc3ccccc3)C(C)(C)C2)C1 ZINC000090185492 542534927 /nfs/dbraw/zinc/53/49/27/542534927.db2.gz MKQQWBVSTOPETB-RBUKOAKNSA-N 2 0 315.505 2.971 20 0 DFADRP Cc1ncc([C@@H](C)[NH2+]CCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)s1 ZINC000090405912 542535639 /nfs/dbraw/zinc/53/56/39/542535639.db2.gz CYYUKFPANFZEOF-HZSPNIEDSA-N 2 0 311.495 2.992 20 0 DFADRP CC(C)C[NH+]1CCC([NH2+][C@H]2CCO[C@H](C(F)(F)F)C2)CC1 ZINC000348082833 285335092 /nfs/dbraw/zinc/33/50/92/285335092.db2.gz LZFWFSUNFJDMCG-KBPBESRZSA-N 2 0 308.388 2.806 20 0 DFADRP CC[N@@H+](Cc1ccc(OCC[NH+](C)C)cc1)C[C@@H]1CCCO1 ZINC000092406909 542546969 /nfs/dbraw/zinc/54/69/69/542546969.db2.gz ZOJWWBKMVSXZLL-SFHVURJKSA-N 2 0 306.450 2.628 20 0 DFADRP C[C@@H]1C[N@@H+](CCCC[NH2+]Cc2nc3c(s2)CCC3)C[C@H](C)O1 ZINC000093066166 542551274 /nfs/dbraw/zinc/55/12/74/542551274.db2.gz COGANLHVGMXQTM-OKILXGFUSA-N 2 0 323.506 2.611 20 0 DFADRP CCC(CC)(C[NH3+])C(=O)N1CCC[C@H]([NH+]2[C@H](C)CC[C@H]2C)C1 ZINC000423724674 296442104 /nfs/dbraw/zinc/44/21/04/296442104.db2.gz HMDWGHQLMUYAFY-OAGGEKHMSA-N 2 0 309.498 2.615 20 0 DFADRP C[NH+]1CCN(c2ccc(C[NH2+][C@@H]3CC[C@@H]3C(C)(C)C)cn2)CC1 ZINC000348092010 285341365 /nfs/dbraw/zinc/34/13/65/285341365.db2.gz ZUZVHNAOJGVSLQ-DLBZAZTESA-N 2 0 316.493 2.748 20 0 DFADRP CCN(C(=O)c1ccc(C[NH+](CC)CC)cc1)[C@H]1CC[N@H+](C)C1 ZINC000617551019 399731627 /nfs/dbraw/zinc/73/16/27/399731627.db2.gz JHTODDDJDGMYRJ-SFHVURJKSA-N 2 0 317.477 2.695 20 0 DFADRP O[C@H](C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1)C1CCCCC1 ZINC000249128956 285353540 /nfs/dbraw/zinc/35/35/40/285353540.db2.gz UQRPKKHJUQYTDG-NZSAHSFTSA-N 2 0 306.494 2.876 20 0 DFADRP CC[C@H]1CC[C@H]1[NH2+]Cc1ccc(CN2CC[NH+](C)CC2)cc1 ZINC000348104014 285351984 /nfs/dbraw/zinc/35/19/84/285351984.db2.gz NHYRUNKAVAAACL-RBUKOAKNSA-N 2 0 301.478 2.712 20 0 DFADRP CC(C)CN(C(=O)C[C@@H](C)C1CC[NH2+]CC1)C1CC[NH+](C)CC1 ZINC000423764909 296444939 /nfs/dbraw/zinc/44/49/39/296444939.db2.gz UCAOJEUJBROMTF-MRXNPFEDSA-N 2 0 323.525 2.591 20 0 DFADRP CC(C)[C@H](C(=O)Nc1cccc(CC[NH+]2CCCC2)c1)[C@H](C)[NH3+] ZINC000423773563 296445923 /nfs/dbraw/zinc/44/59/23/296445923.db2.gz MXLZWKLBJHUKFX-YJBOKZPZSA-N 2 0 317.477 2.883 20 0 DFADRP C[N@H+](CCC(=O)Nc1cccc(Cl)c1)C[C@H]1CC[NH+](C)C1 ZINC000121049927 195287994 /nfs/dbraw/zinc/28/79/94/195287994.db2.gz YCEQYTFZPATOOP-ZDUSSCGKSA-N 2 0 309.841 2.552 20 0 DFADRP CC[N@@H+]1CC[C@@H](C[NH2+][C@@H](Cc2cccc(OC)c2)C2CC2)C1 ZINC000121095122 195292927 /nfs/dbraw/zinc/29/29/27/195292927.db2.gz GCKVTHZLLWPQHF-LPHOPBHVSA-N 2 0 302.462 2.948 20 0 DFADRP Cc1cc(C[NH+](C)C)cc(NC(=O)[C@](C)([NH3+])c2ccccc2)c1 ZINC000423783873 296447618 /nfs/dbraw/zinc/44/76/18/296447618.db2.gz KZHHOHPQMIJHSD-LJQANCHMSA-N 2 0 311.429 2.869 20 0 DFADRP COC[C@H](CC(C)C)[NH2+]CCCC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000358035330 285371477 /nfs/dbraw/zinc/37/14/77/285371477.db2.gz IHNZRJBXYYACKJ-ULQDDVLXSA-N 2 0 300.487 2.527 20 0 DFADRP Cc1nn(C)c2sc([C@H](C)[NH2+]CC3CC[NH+](C)CC3)cc12 ZINC000348129437 285369056 /nfs/dbraw/zinc/36/90/56/285369056.db2.gz YUBVJJWZMVWSIV-LBPRGKRZSA-N 2 0 306.479 2.936 20 0 DFADRP COC[C@H](CCC[NH3+])[NH2+][C@@H](C)c1ccccc1Br ZINC000234803379 285373973 /nfs/dbraw/zinc/37/39/73/285373973.db2.gz WZIWVDPYRHCEKZ-RYUDHWBXSA-N 2 0 315.255 2.854 20 0 DFADRP CC(C)[C@H](CCc1ccccc1)[NH2+]C[C@@H](C)N1CC[NH+](C)CC1 ZINC000127707476 195902433 /nfs/dbraw/zinc/90/24/33/195902433.db2.gz ZZFVUMPUMWCPSQ-QUCCMNQESA-N 2 0 317.521 2.869 20 0 DFADRP CC[N@H+](CCOC[C@H]1CCCO1)Cc1ccc(C[NH+](C)C)cc1 ZINC000626062540 399741348 /nfs/dbraw/zinc/74/13/48/399741348.db2.gz WFMXIPVTTOOBMC-LJQANCHMSA-N 2 0 320.477 2.766 20 0 DFADRP CC[N@H+](CCCc1cncn1C)Cc1ccc(C[NH+](C)C)cc1 ZINC000626063517 399742509 /nfs/dbraw/zinc/74/25/09/399742509.db2.gz GYLYNGCGKDOPNI-UHFFFAOYSA-N 2 0 314.477 2.936 20 0 DFADRP CC[N@H+](C)[C@H](C(=O)N[C@H](C)C1CC[NH+](C)CC1)c1ccccc1 ZINC000603320422 399744104 /nfs/dbraw/zinc/74/41/04/399744104.db2.gz IMJMEHPFHLGGGC-QAPCUYQASA-N 2 0 317.477 2.526 20 0 DFADRP C[C@@H](C(=O)Nc1cccc(CC[NH+]2CCC(C)CC2)c1)[C@H](C)[NH3+] ZINC000423847396 296456072 /nfs/dbraw/zinc/45/60/72/296456072.db2.gz OQJSLUNILOBAEB-CVEARBPZSA-N 2 0 317.477 2.883 20 0 DFADRP CC(C)CC[C@@H]1CCCN1C(=O)CCC[NH+]1CCC([NH3+])CC1 ZINC000423853603 296456686 /nfs/dbraw/zinc/45/66/86/296456686.db2.gz SYBYNVPLXKXYIQ-KRWDZBQOSA-N 2 0 309.498 2.617 20 0 DFADRP C[C@@H]([NH2+]CCCOCCc1ccccc1)C1CC[NH+](C)CC1 ZINC000125337709 542601123 /nfs/dbraw/zinc/60/11/23/542601123.db2.gz MVGLMAVLCBVTFP-QGZVFWFLSA-N 2 0 304.478 2.956 20 0 DFADRP CN(C)CC[NH+]1CCC(C[NH2+][C@H]2CCc3ccc(F)cc32)CC1 ZINC000124461755 542597909 /nfs/dbraw/zinc/59/79/09/542597909.db2.gz JNJRCGHPWSYUCW-IBGZPJMESA-N 2 0 319.468 2.676 20 0 DFADRP CCc1ccccc1[C@@H]([NH3+])CNC(=O)[C@H]([NH3+])CC1CCCCC1 ZINC000423938966 296468282 /nfs/dbraw/zinc/46/82/82/296468282.db2.gz KZMNIUBTHJIHAR-MSOLQXFVSA-N 2 0 317.477 2.663 20 0 DFADRP CC(C)[NH+]1CCC(O)(C[NH2+]C[C@@H]2C[C@H]2c2ccccc2)CC1 ZINC000348250117 285449739 /nfs/dbraw/zinc/44/97/39/285449739.db2.gz WCHJNPIMPGGFDJ-ROUUACIJSA-N 2 0 302.462 2.615 20 0 DFADRP CC[NH+](CC)[C@H](C(=O)N[C@@H](C[NH3+])C1CCCC1)c1ccccc1 ZINC000423937059 296468107 /nfs/dbraw/zinc/46/81/07/296468107.db2.gz DVTPLKFSGLTSGJ-ROUUACIJSA-N 2 0 317.477 2.703 20 0 DFADRP C[C@H]([NH2+]CCCN(C)c1ccccc1F)C1CC[NH+](C)CC1 ZINC000129130487 542622163 /nfs/dbraw/zinc/62/21/63/542622163.db2.gz ZNFKDCNCMILNKE-HNNXBMFYSA-N 2 0 307.457 2.972 20 0 DFADRP C[C@@H]([NH2+]Cc1cn2cc(Cl)ccc2n1)C1CC[NH+](C)CC1 ZINC000131610336 542638248 /nfs/dbraw/zinc/63/82/48/542638248.db2.gz RPPLPJGKOHEWKB-GFCCVEGCSA-N 2 0 306.841 2.808 20 0 DFADRP CC[C@@](C)(CCO)[NH2+]Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000134470930 542649786 /nfs/dbraw/zinc/64/97/86/542649786.db2.gz YYEJOXOZTICCIC-IBGZPJMESA-N 2 0 320.477 2.802 20 0 DFADRP CCC[C@@H](C(=O)Nc1ccc(OCCC[NH+](C)C)cc1)[NH+](C)C ZINC000135220597 542652107 /nfs/dbraw/zinc/65/21/07/542652107.db2.gz VUOCKDVXABMBMD-KRWDZBQOSA-N 2 0 321.465 2.686 20 0 DFADRP C[C@@H]([NH2+]C[C@H]1CCN(c2ccc(F)cc2)C1)C1CC[NH+](C)CC1 ZINC000152821945 542679092 /nfs/dbraw/zinc/67/90/92/542679092.db2.gz LLFQLIRSHOEZFZ-HZPDHXFCSA-N 2 0 319.468 2.972 20 0 DFADRP C[C@H]([NH3+])c1ccc(C(=O)N2CCC([C@@H]3[NH2+]CC3(C)C)CC2)cc1 ZINC000424046321 296479398 /nfs/dbraw/zinc/47/93/98/296479398.db2.gz VISDMWAHIOCLBS-GUYCJALGSA-N 2 0 315.461 2.557 20 0 DFADRP C[C@H]([NH3+])[C@H]1CCCCN1C(=O)CC[C@@H]([NH3+])CC1CCCCC1 ZINC000424064326 296481784 /nfs/dbraw/zinc/48/17/84/296481784.db2.gz ZDUIGHVHURTDLD-USXIJHARSA-N 2 0 309.498 2.793 20 0 DFADRP [NH3+][C@@H](CCC(=O)NC[C@@H]([NH3+])c1ccccc1)CC1CCCCC1 ZINC000424073073 296483005 /nfs/dbraw/zinc/48/30/05/296483005.db2.gz DZQVMXYIPPPDPM-ZWKOTPCHSA-N 2 0 317.477 2.881 20 0 DFADRP C[C@H]([NH2+]CCN1c2ccccc2C[C@H]1C)C1CC[NH+](C)CC1 ZINC000162743981 542740311 /nfs/dbraw/zinc/74/03/11/542740311.db2.gz QVMOVRRBEXNEJK-CVEARBPZSA-N 2 0 301.478 2.758 20 0 DFADRP CC(C)[C@@H](CN[C@H]1CC[N@@H+]2CCC[C@@H]2C1)[NH+]1CCC(C)CC1 ZINC000166139054 542749337 /nfs/dbraw/zinc/74/93/37/542749337.db2.gz MLSCMVWWBVZJAD-IPMKNSEASA-N 2 0 307.526 2.959 20 0 DFADRP CC[NH+](CC)CCN(Cc1cccs1)C(=O)CC1([NH3+])CCC1 ZINC000163803063 542744510 /nfs/dbraw/zinc/74/45/10/542744510.db2.gz UDIWKNUZLTYZBA-UHFFFAOYSA-N 2 0 323.506 2.690 20 0 DFADRP CC(C)[NH2+]CCC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000167541278 542753706 /nfs/dbraw/zinc/75/37/06/542753706.db2.gz LWFQCDFMOTZHNJ-FUHWJXTLSA-N 2 0 317.477 2.544 20 0 DFADRP C[C@H](C[NH2+][C@H](C)c1ccc([S@](C)=O)cc1)C[NH+]1CCCC1 ZINC000178244064 542775725 /nfs/dbraw/zinc/77/57/25/542775725.db2.gz NQKGOMCZVJBRLD-PZPWOCDFSA-N 2 0 308.491 2.807 20 0 DFADRP [NH3+][C@@H](CCC(=O)N1CCC2(CC[NH2+]C2)CC1)CC1CCCCC1 ZINC000424164904 296489890 /nfs/dbraw/zinc/48/98/90/296489890.db2.gz FFCRETBNUZPMPH-KRWDZBQOSA-N 2 0 321.509 2.666 20 0 DFADRP CN(C(=O)CC[C@H]([NH3+])CC1CCCCC1)[C@@H]1CCC[NH2+]CC1 ZINC000424164122 296489442 /nfs/dbraw/zinc/48/94/42/296489442.db2.gz WKFYMKYSFYVMRG-DLBZAZTESA-N 2 0 309.498 2.665 20 0 DFADRP CCC1([NH+](C)C)CCN(Cc2ccc3c(c2)C[NH2+]CC3)CC1 ZINC000630072347 399805295 /nfs/dbraw/zinc/80/52/95/399805295.db2.gz IZVGGVHQHLBVOR-UHFFFAOYSA-N 2 0 301.478 2.639 20 0 DFADRP Cc1n[nH]cc1[C@H](C)[NH2+]Cc1cccc(OCC[NH+](C)C)c1 ZINC000180152212 542783870 /nfs/dbraw/zinc/78/38/70/542783870.db2.gz FLDNYFDECWEMOA-ZDUSSCGKSA-N 2 0 302.422 2.509 20 0 DFADRP [NH3+][C@H](CCC(=O)NC[C@@H]1CCC[C@H]([NH3+])C1)CC1CCCCC1 ZINC000424174585 296490564 /nfs/dbraw/zinc/49/05/64/296490564.db2.gz MQHSMALZYAMMGL-IXDOHACOSA-N 2 0 309.498 2.698 20 0 DFADRP CC[C@H](C(=O)N[C@@H](C)[C@H](c1ccccc1)[NH+](C)C)[NH+](CC)CC ZINC000348451756 285550532 /nfs/dbraw/zinc/55/05/32/285550532.db2.gz FSAAUGUTZIDGLJ-CGTJXYLNSA-N 2 0 319.493 2.914 20 0 DFADRP C[C@@H]1CN(C(=O)CC[C@H]([NH3+])CC2CCCCC2)C[C@@]1(C)C[NH3+] ZINC000424199207 296492427 /nfs/dbraw/zinc/49/24/27/296492427.db2.gz QGCBCWGCUMRVJR-UWWQBHOKSA-N 2 0 309.498 2.508 20 0 DFADRP CCCC[C@H](CC)C[NH+]1CCC(C(=O)NCC[NH+](C)C)CC1 ZINC000183636891 542801588 /nfs/dbraw/zinc/80/15/88/542801588.db2.gz DINMPQLWHIQKBM-INIZCTEOSA-N 2 0 311.514 2.593 20 0 DFADRP CC[N@H+](Cc1ccc(C(=O)NC[C@@H]2CCCC[NH2+]2)cc1)C(C)C ZINC000236994967 542899429 /nfs/dbraw/zinc/89/94/29/542899429.db2.gz JIZGPQLHRKSIIQ-SFHVURJKSA-N 2 0 317.477 2.789 20 0 DFADRP C[C@H](CC(=O)NC[C@@H](C1CCCCC1)[NH+](C)C)C1CC[NH2+]CC1 ZINC000237645139 542904654 /nfs/dbraw/zinc/90/46/54/542904654.db2.gz HJMATRSCSQQHII-QAPCUYQASA-N 2 0 323.525 2.639 20 0 DFADRP COc1cccc(C[C@@H]([NH2+]C[C@@H]2CCC[N@H+](C)C2)C2CC2)c1 ZINC000245560292 542916056 /nfs/dbraw/zinc/91/60/56/542916056.db2.gz UNIQIDBHUMLDEA-QFBILLFUSA-N 2 0 302.462 2.948 20 0 DFADRP CO[C@H]1C[C@H]2C[C@@H]([NH2+]CCCC[NH+]3C[C@@H](C)O[C@H](C)C3)C[C@H]2C1 ZINC000424306490 296500642 /nfs/dbraw/zinc/50/06/42/296500642.db2.gz VMYRFYYPFAMZOF-KSCVBYKOSA-N 2 0 324.509 2.669 20 0 DFADRP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1[NH2+]C1CC(CC(=O)OC)C1 ZINC000424321546 296502088 /nfs/dbraw/zinc/50/20/88/296502088.db2.gz ULIXNPMVBPOUAC-XGHPGWEVSA-N 2 0 310.482 2.818 20 0 DFADRP Cc1ccsc1C[NH+]1CCC(n2ncc3c2C[NH2+]C3)CC1 ZINC000424372625 296505517 /nfs/dbraw/zinc/50/55/17/296505517.db2.gz FXOYEQUZAMUZPM-UHFFFAOYSA-N 2 0 302.447 2.693 20 0 DFADRP Cc1cc(C[NH3+])cc(NC(=O)NCC(C)(C)C[NH+]2CCCC2)c1 ZINC000424418013 296508207 /nfs/dbraw/zinc/50/82/07/296508207.db2.gz AQYAFJNRBRQJRA-UHFFFAOYSA-N 2 0 318.465 2.697 20 0 DFADRP Cc1cc(C[NH3+])cc(NC(=O)NCC[NH+]2[C@@H](C)CCC[C@@H]2C)c1 ZINC000424438476 296509774 /nfs/dbraw/zinc/50/97/74/296509774.db2.gz PTBFGBOJBDPPBY-GJZGRUSLSA-N 2 0 318.465 2.838 20 0 DFADRP O[C@@H]1CCCC[C@H]1[NH+]1CCN(c2cc[nH+]c3ccccc32)CC1 ZINC000297369323 543039354 /nfs/dbraw/zinc/03/93/54/543039354.db2.gz GIZAHITYDOMJLJ-RTBURBONSA-N 2 0 311.429 2.660 20 0 DFADRP CC(C)C[C@H](C[NH3+])CC(=O)N(CC[NH+](C)C)Cc1ccccc1 ZINC000303144828 543048919 /nfs/dbraw/zinc/04/89/19/543048919.db2.gz ARZRQDMGYAMJET-SFHVURJKSA-N 2 0 319.493 2.588 20 0 DFADRP C[C@H]([NH2+]CC1CC[NH+](C)CC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000309794246 543065839 /nfs/dbraw/zinc/06/58/39/543065839.db2.gz POMUQQPIPJLNTM-PXNSSMCTSA-N 3 0 315.505 2.828 20 0 DFADRP Cc1ccc([C@H](C)[NH2+]CC(C)(C)N2CC[NH+](C)CC2)c(C)c1 ZINC000314406208 543068947 /nfs/dbraw/zinc/06/89/47/543068947.db2.gz VKMYPIDAXUSLIU-KRWDZBQOSA-N 2 0 303.494 2.980 20 0 DFADRP C[C@H](Nc1cccc(OCC[NH+](C)C)c1)C1CC[NH+](C)CC1 ZINC000315955542 543073082 /nfs/dbraw/zinc/07/30/82/543073082.db2.gz ZCFNAXICXQRVHU-HNNXBMFYSA-N 2 0 305.466 2.769 20 0 DFADRP C[C@H]([NH2+]CC(C)(C)N1CC[NH+](C)CC1)c1cc(F)cc(F)c1 ZINC000316852450 543074244 /nfs/dbraw/zinc/07/42/44/543074244.db2.gz DFBZOSGAWCIGSC-ZDUSSCGKSA-N 2 0 311.420 2.641 20 0 DFADRP COc1cccc([C@H](C[NH2+][C@H](C)C2CC[NH+](C)CC2)N(C)C)c1 ZINC000319534096 543079723 /nfs/dbraw/zinc/07/97/23/543079723.db2.gz CPFFKJURUDDSSH-BEFAXECRSA-N 2 0 319.493 2.618 20 0 DFADRP CC(C)CCC[NH+]1CCC(C(=O)NCCC[NH+]2CCCC2)CC1 ZINC000348921813 285721724 /nfs/dbraw/zinc/72/17/24/285721724.db2.gz OVEQVJUDOCSQGS-UHFFFAOYSA-N 2 0 323.525 2.737 20 0 DFADRP CC(C)CN(C(=O)CC[N@@H+]1CCCC[C@H]1C)C1CC[NH+](C)CC1 ZINC000339272523 543142651 /nfs/dbraw/zinc/14/26/51/543142651.db2.gz DTORIVHKEZNBDP-QGZVFWFLSA-N 2 0 323.525 2.830 20 0 DFADRP C[C@@H]1CCCC[N@@H+]1CCC(=O)N1CCC[NH+](C2CCCC2)CC1 ZINC000339280676 543143241 /nfs/dbraw/zinc/14/32/41/543143241.db2.gz GYOZVJXJINZGLY-QGZVFWFLSA-N 2 0 321.509 2.728 20 0 DFADRP CCC[C@H](C)C[NH+]1CCC(C(=O)NCCC[NH+]2CCCC2)CC1 ZINC000348926935 285723365 /nfs/dbraw/zinc/72/33/65/285723365.db2.gz ZDOUJRBRXRYQIZ-KRWDZBQOSA-N 2 0 323.525 2.737 20 0 DFADRP C(C1CCCC1)[NH+]1CCC(N[C@H]2CC[N@@H+]3CCC[C@H]3C2)CC1 ZINC000339066925 543139370 /nfs/dbraw/zinc/13/93/70/543139370.db2.gz JOLNBSKFBSPZFI-OALUTQOASA-N 2 0 305.510 2.857 20 0 DFADRP C(C1CCCC1)[NH+]1CCC(N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)CC1 ZINC000339066924 543139505 /nfs/dbraw/zinc/13/95/05/543139505.db2.gz JOLNBSKFBSPZFI-MOPGFXCFSA-N 2 0 305.510 2.857 20 0 DFADRP COc1ccc(OCCC[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000339074056 543139647 /nfs/dbraw/zinc/13/96/47/543139647.db2.gz IJOPBUUXKSAXEA-HOTGVXAUSA-N 2 0 304.434 2.681 20 0 DFADRP c1sc(N2CCCC2)nc1CC[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000339067779 543139853 /nfs/dbraw/zinc/13/98/53/543139853.db2.gz HWWUUINHZCMLOK-ZBFHGGJFSA-N 2 0 320.506 2.502 20 0 DFADRP CC[NH+](C[C@@H]1CCCO1)[C@@H](C)CC[N@@H+](CC)C[C@@H]1CCCO1 ZINC000343606515 543168061 /nfs/dbraw/zinc/16/80/61/543168061.db2.gz XLNKJEYRXOCXPH-BZSNNMDCSA-N 2 0 312.498 2.767 20 0 DFADRP CC(C)[N@@H+]1CCC[C@H](CNC(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC000358613874 543268560 /nfs/dbraw/zinc/26/85/60/543268560.db2.gz HGAJYTRBZRFHTF-QGZVFWFLSA-N 2 0 323.525 2.735 20 0 DFADRP C[C@@H]([NH2+]C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C1CC[NH+](C)CC1 ZINC000380953237 543297389 /nfs/dbraw/zinc/29/73/89/543297389.db2.gz SGQYRABOAVXFTM-MJGOQNOKSA-N 3 0 315.505 2.828 20 0 DFADRP CCC[N@@H+]1CC[C@@H](NC2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000389142993 543303592 /nfs/dbraw/zinc/30/35/92/543303592.db2.gz HQLRWRDZRKOBNS-HXUWFJFHSA-N 2 0 315.505 2.767 20 0 DFADRP CN(CC[C@H]1CCC[N@@H+]1C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000162101864 145221471 /nfs/dbraw/zinc/22/14/71/145221471.db2.gz OAQYKTSYCAFKEK-VQTJNVASSA-N 2 0 315.505 2.925 20 0 DFADRP CN(CC[C@@H]1CCC[N@@H+]1C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000162101983 145221731 /nfs/dbraw/zinc/22/17/31/145221731.db2.gz OAQYKTSYCAFKEK-PMACEKPBSA-N 2 0 315.505 2.925 20 0 DFADRP Cc1csc(N2CCC([NH2+]C[C@@H](C)C[NH+]3CCCC3)CC2)n1 ZINC000165280953 145229322 /nfs/dbraw/zinc/22/93/22/145229322.db2.gz DEMXGDOFQNZFCW-CQSZACIVSA-N 2 0 322.522 2.742 20 0 DFADRP C[C@@H](CC(=O)N1CC[NH+](CCC(C)(C)C)CC1)[C@H]1CCC[NH2+]C1 ZINC000165701371 145230459 /nfs/dbraw/zinc/23/04/59/145230459.db2.gz GITDDJPZMNKAGJ-IRXDYDNUSA-N 2 0 323.525 2.593 20 0 DFADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+][C@@H]1CCN(c2c(F)cccc2F)C1 ZINC000167480739 145241044 /nfs/dbraw/zinc/24/10/44/145241044.db2.gz CQXJHWSMZOMVMV-WBOJAVRRSA-N 2 0 323.431 2.862 20 0 DFADRP Cc1nc(C)c([C@H](C)[NH2+]C[C@@H](C(C)C)N2CC[NH+](C)CC2)s1 ZINC000170973036 145256423 /nfs/dbraw/zinc/25/64/23/145256423.db2.gz NOQWLOZOFMDGBJ-BBRMVZONSA-N 2 0 324.538 2.683 20 0 DFADRP OC1(C[NH2+][C@H]2CC[C@H]2C2CC2)CC[NH+](Cc2ccccc2)CC1 ZINC000414307960 543325786 /nfs/dbraw/zinc/32/57/86/543325786.db2.gz PSEPKELCEPQCLV-OALUTQOASA-N 2 0 314.473 2.792 20 0 DFADRP CCc1ccccc1NC(=O)C[C@H](C)[NH2+][C@@H]1CCC[C@H]([NH3+])C1 ZINC000414928506 543327896 /nfs/dbraw/zinc/32/78/96/543327896.db2.gz QDBNIBACVGFNDZ-CWRNSKLLSA-N 2 0 303.450 2.826 20 0 DFADRP C[C@H](CC(=O)Nc1cccc(Cl)c1)[NH2+][C@H]1CCC[C@@H]([NH3+])C1 ZINC000414925496 543327979 /nfs/dbraw/zinc/32/79/79/543327979.db2.gz LWAQDAPDQHQXOD-KYOSRNDESA-N 2 0 309.841 2.917 20 0 DFADRP CCCC[C@@H](CC)CC[N@@H+]1CCC[C@H](n2cc(C[NH3+])nn2)C1 ZINC000415103162 543328767 /nfs/dbraw/zinc/32/87/67/543328767.db2.gz CSLJEWPPRJBKDQ-WBVHZDCISA-N 2 0 307.486 2.980 20 0 DFADRP CC[NH+](CC)C[C@@H](C)NC(=O)C[C@@H](c1ccccc1)[NH+](C)C ZINC000416163248 543331867 /nfs/dbraw/zinc/33/18/67/543331867.db2.gz XEZIXMDIHOIKQR-WBVHZDCISA-N 2 0 305.466 2.526 20 0 DFADRP Cc1ccc(-c2n[nH]cc2C[NH2+][C@H]2CCC[C@@H]([NH+](C)C)C2)o1 ZINC000175008576 145396564 /nfs/dbraw/zinc/39/65/64/145396564.db2.gz LPGSMGLMAPJEMN-LSDHHAIUSA-N 2 0 302.422 2.941 20 0 DFADRP COc1cc2c(cc1F)[nH+]ccc2N1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000630540447 399900505 /nfs/dbraw/zinc/90/05/05/399900505.db2.gz CVNVPZJUYIEXFC-HDICACEKSA-N 2 0 315.392 2.818 20 0 DFADRP CN(CCCC[NH+](C)C)C(=O)Nc1ccccc1CC[NH+](C)C ZINC000682420513 545843640 /nfs/dbraw/zinc/84/36/40/545843640.db2.gz OXRKFBPWCSXVPD-UHFFFAOYSA-N 2 0 320.481 2.596 20 0 DFADRP CCN(C(=O)c1ccc(C[NH+](CC)CC)o1)C1CC[NH+](C)CC1 ZINC000627619679 399948209 /nfs/dbraw/zinc/94/82/09/399948209.db2.gz QMWYRJMKWGCQFD-UHFFFAOYSA-N 2 0 321.465 2.678 20 0 DFADRP C[C@@H]([NH2+]Cc1ccc(=O)[nH]c1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000631108657 399982020 /nfs/dbraw/zinc/98/20/20/399982020.db2.gz DSAWZBZKPJCKID-QAPCUYQASA-N 2 0 311.429 2.787 20 0 DFADRP C[C@H](C(=O)N1CCC(C)([NH+]2CCCC2)CC1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000633943134 399963087 /nfs/dbraw/zinc/96/30/87/399963087.db2.gz CPHZAKVURRZEAO-IXDOHACOSA-N 2 0 321.509 2.725 20 0 DFADRP CCC1([NH+]2CCCC2)CCN(C(=O)C[NH+]2CCC(C)CC2)CC1 ZINC000633954764 399965175 /nfs/dbraw/zinc/96/51/75/399965175.db2.gz ZNAYMIFFGREWDU-UHFFFAOYSA-N 2 0 321.509 2.585 20 0 DFADRP O=c1ccc(C[NH2+][C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]23)c[nH]1 ZINC000631112817 399982963 /nfs/dbraw/zinc/98/29/63/399982963.db2.gz XZWDQJSGBHFGNS-CEXWTWQISA-N 2 0 323.440 2.787 20 0 DFADRP COc1cc(Cl)c(C[NH2+]CCCC[NH+](C)C)cc1OC ZINC000631055373 399970687 /nfs/dbraw/zinc/97/06/87/399970687.db2.gz QGGPOOUZNRORJQ-UHFFFAOYSA-N 2 0 300.830 2.789 20 0 DFADRP C[NH+](C)CCCC[NH2+]Cc1ncc(Br)cc1Cl ZINC000631054966 399970708 /nfs/dbraw/zinc/97/07/08/399970708.db2.gz CEMSLMCVEGBSGW-UHFFFAOYSA-N 2 0 320.662 2.929 20 0 DFADRP CCC1([NH+](C)C)CCN(C(=O)[C@H](C(C)C)[NH+]2CCCCC2)CC1 ZINC000634121140 399985204 /nfs/dbraw/zinc/98/52/04/399985204.db2.gz QWIIWGPWDFEOPC-KRWDZBQOSA-N 2 0 323.525 2.830 20 0 DFADRP Cc1ccc([C@@H](C)C[NH+]2CCN(CC[NH+]3CCCC3)CC2)cc1 ZINC000628120708 399987676 /nfs/dbraw/zinc/98/76/76/399987676.db2.gz AQCNSLOOIJRAET-IBGZPJMESA-N 2 0 315.505 2.812 20 0 DFADRP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@@H+]2Cc1ccc2[nH]ccc2c1 ZINC000628191098 399999234 /nfs/dbraw/zinc/99/92/34/399999234.db2.gz ZOUJULPZFICWJE-QRQLOZEOSA-N 2 0 313.445 2.851 20 0 DFADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C[NH2+][C@@H]1CCO[C@H](C)C1 ZINC000631196752 400001501 /nfs/dbraw/zinc/00/15/01/400001501.db2.gz UYVNFXYFFKXYJD-ZAWLATJESA-N 2 0 302.462 2.912 20 0 DFADRP C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C[NH2+][C@@H]1CCO[C@H](C)C1 ZINC000631196649 400001511 /nfs/dbraw/zinc/00/15/11/400001511.db2.gz UYVNFXYFFKXYJD-OGWHTMIXSA-N 2 0 302.462 2.912 20 0 DFADRP FC(F)(F)CCN1CCC([NH2+][C@@H]2CCCn3nccc32)CC1 ZINC000631298503 400020421 /nfs/dbraw/zinc/02/04/21/400020421.db2.gz LQPSQPGBSFVKBL-CYBMUJFWSA-N 2 0 316.371 2.724 20 0 DFADRP CC[C@H](NC[C@@H]1CCC[NH2+]1)[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000496282757 300040512 /nfs/dbraw/zinc/04/05/12/300040512.db2.gz KJIDCCXPXJIZOW-SOUVJXGZSA-N 2 0 311.470 2.506 20 0 DFADRP CCC[C@@H]([NH2+]CCCC[NH+]1CCN(C)CC1)c1cc(C)ccn1 ZINC000631565845 400051791 /nfs/dbraw/zinc/05/17/91/400051791.db2.gz JLVNQRYMXRVADL-GOSISDBHSA-N 2 0 318.509 2.848 20 0 DFADRP C[NH+](C)[C@@H](CC(=O)NC[C@H]1CCCC[N@H+](C)C1)c1ccccc1 ZINC000628747379 400052134 /nfs/dbraw/zinc/05/21/34/400052134.db2.gz PEHKHJCQYTVNJE-AEFFLSMTSA-N 2 0 317.477 2.528 20 0 DFADRP C[C@H](CCc1c[nH]c2ccccc12)[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000631572372 400053091 /nfs/dbraw/zinc/05/30/91/400053091.db2.gz QDUHGEKIIUHQON-WBVHZDCISA-N 2 0 315.461 2.535 20 0 DFADRP CCC[C@@H]([NH2+]CCCN1CCC[N@H+](C)CC1)c1cc(C)ccn1 ZINC000631578139 400053795 /nfs/dbraw/zinc/05/37/95/400053795.db2.gz PBRQVJGSBZFUQY-GOSISDBHSA-N 2 0 318.509 2.848 20 0 DFADRP CC[C@@H]1[C@@H](C(=O)NC2CC[NH+](C3CCCCC3)CC2)CC[N@@H+]1C ZINC000631605677 400057786 /nfs/dbraw/zinc/05/77/86/400057786.db2.gz GFTJNTKLCGWZOA-ZWKOTPCHSA-N 2 0 321.509 2.630 20 0 DFADRP CC[NH+](CC)CCOCC[NH2+][C@H]1CCc2cc(OC)ccc21 ZINC000631616427 400058531 /nfs/dbraw/zinc/05/85/31/400058531.db2.gz HNLHVARMKVNNCH-SFHVURJKSA-N 2 0 306.450 2.631 20 0 DFADRP CCOC1CC([NH2+]C[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)C1 ZINC000631661643 400063464 /nfs/dbraw/zinc/06/34/64/400063464.db2.gz ARHBNIBJUYBVCI-FLODPWGTSA-N 2 0 302.462 2.912 20 0 DFADRP C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C[NH2+]C1CCC(O)CC1 ZINC000631664942 400064033 /nfs/dbraw/zinc/06/40/33/400064033.db2.gz SPFVCVGTKCFGBF-FLODPWGTSA-N 2 0 302.462 2.648 20 0 DFADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C[NH2+][C@H]1CCOC[C@@H]1C ZINC000631665361 400064062 /nfs/dbraw/zinc/06/40/62/400064062.db2.gz WMAPBIMFHDMCLG-NEPXVJNWSA-N 2 0 302.462 2.769 20 0 DFADRP OC[C@H]1C[C@@H]([NH2+][C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)C1 ZINC000631669670 400064622 /nfs/dbraw/zinc/06/46/22/400064622.db2.gz JGYNCLVJVAUWGX-SWBPCFCJSA-N 2 0 314.473 2.648 20 0 DFADRP C[N@H+](CCC(=O)NC[C@H]1CC[NH+]1C1CCCC1)C1CCCCC1 ZINC000628965033 400066475 /nfs/dbraw/zinc/06/64/75/400066475.db2.gz SZLDKRJTMKIYNZ-GOSISDBHSA-N 2 0 321.509 2.774 20 0 DFADRP C[C@@H]1CCC[C@H]([NH+]2CCC([NH2+]CC[C@@H](O)C(F)F)CC2)C1 ZINC000631699505 400068128 /nfs/dbraw/zinc/06/81/28/400068128.db2.gz ZXSQDGFLSGJUEI-VHDGCEQUSA-N 2 0 304.425 2.635 20 0 DFADRP C[C@H]([NH2+][C@@H](C)C1CC[NH+](C)CC1)c1ccc2[nH]c(=O)oc2c1 ZINC000631736714 400071159 /nfs/dbraw/zinc/07/11/59/400071159.db2.gz UZAUHAKIOLLUQQ-RYUDHWBXSA-N 2 0 303.406 2.914 20 0 DFADRP C[C@@H]([NH2+][C@@H](C)c1ccc2[nH]c(=O)oc2c1)C1CC[NH+](C)CC1 ZINC000631736712 400071199 /nfs/dbraw/zinc/07/11/99/400071199.db2.gz UZAUHAKIOLLUQQ-NEPJUHHUSA-N 2 0 303.406 2.914 20 0 DFADRP c1csc(CN(C[C@H]2CCCCO2)[C@@H]2CC23CC[NH2+]CC3)n1 ZINC000631824573 400077828 /nfs/dbraw/zinc/07/78/28/400077828.db2.gz KHGIUVVKXWJAEB-HUUCEWRRSA-N 2 0 321.490 2.656 20 0 DFADRP C[C@@H]1CC2(C[N@@H+]1Cc1cccc3c1CCOC3)CC[NH2+]CC2 ZINC000631829492 400078079 /nfs/dbraw/zinc/07/80/79/400078079.db2.gz RQFSWVBOWFCZER-OAHLLOKOSA-N 2 0 300.446 2.723 20 0 DFADRP C[C@@H]1C[N@H+](Cc2ccc(OCc3cccnc3)cc2)C[C@@H]1C[NH3+] ZINC000631839376 400078820 /nfs/dbraw/zinc/07/88/20/400078820.db2.gz FRFFGFJNIYDJKX-QAPCUYQASA-N 2 0 311.429 2.687 20 0 DFADRP C[C@@H]([NH2+]Cc1ccnc(OCC[NH+](C)C)c1)C1CCSCC1 ZINC000187409084 145757057 /nfs/dbraw/zinc/75/70/57/145757057.db2.gz NKJHDSMXPCPIAZ-CQSZACIVSA-N 2 0 323.506 2.643 20 0 DFADRP C[C@H]([NH2+]CCOCC[NH+](C)C)c1ccc(Br)s1 ZINC000235520628 146019584 /nfs/dbraw/zinc/01/95/84/146019584.db2.gz XODKWLWNTPYUBN-JTQLQIEISA-N 2 0 321.284 2.739 20 0 DFADRP CCCC[C@H]([NH3+])C(=O)Nc1nc(CN2CCC[C@@H](C)C2)cs1 ZINC000236862790 146030041 /nfs/dbraw/zinc/03/00/41/146030041.db2.gz SXWOKIXZHWJGFX-OCCSQVGLSA-N 2 0 324.494 2.831 20 0 DFADRP CCC[C@H]([NH3+])C(=O)Nc1cccc(-c2cn3c(n2)CCCC3)c1 ZINC000236964292 146034147 /nfs/dbraw/zinc/03/41/47/146034147.db2.gz WMKUFSHIQFLMON-HNNXBMFYSA-N 2 0 312.417 2.952 20 0 DFADRP C[C@H]1CCCC[N@@H+]1CCCCNC(=O)CCC1CC[NH2+]CC1 ZINC000237496632 146045163 /nfs/dbraw/zinc/04/51/63/146045163.db2.gz HBXKTQSMIDATLP-INIZCTEOSA-N 2 0 309.498 2.537 20 0 DFADRP C[C@]1(C(=O)N2CCC[N@H+](CC3CCCCC3)CC2)CCCC[NH2+]1 ZINC000237792070 146052231 /nfs/dbraw/zinc/05/22/31/146052231.db2.gz VAPVVTRHINLRIK-LJQANCHMSA-N 2 0 321.509 2.633 20 0 DFADRP CC[NH+](CC)CCC[C@H](C)NC(=O)[C@H](C)[NH+]1[C@H](C)CC[C@H]1C ZINC000245202294 146063233 /nfs/dbraw/zinc/06/32/33/146063233.db2.gz QVSXJFQPMQSJNB-HZMVEIRTSA-N 2 0 311.514 2.874 20 0 DFADRP CC[N@@H+]1CC[C@@H](C[NH2+][C@H](C)c2sc(CCOC)nc2C)C1 ZINC000245622421 146088252 /nfs/dbraw/zinc/08/82/52/146088252.db2.gz RQYJVYBRSQEGGZ-OCCSQVGLSA-N 2 0 311.495 2.633 20 0 DFADRP c1ccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@H]([NH2+]C2CCOCC2)C3)cc1 ZINC000245642552 146089399 /nfs/dbraw/zinc/08/93/99/146089399.db2.gz BCFYZJOJULOLLZ-LDLYASANSA-N 2 0 300.446 2.951 20 0 DFADRP C[N@@H+]1CCC[C@@H]1CN[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC000245731233 146097942 /nfs/dbraw/zinc/09/79/42/146097942.db2.gz QGKRXWPERKMZBT-IYWMVGAKSA-N 2 0 313.489 2.866 20 0 DFADRP C[N@@H+]1CCC[C@H]1CN[C@@H]1C[C@H]2CC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC000245731229 146098435 /nfs/dbraw/zinc/09/84/35/146098435.db2.gz QGKRXWPERKMZBT-HAGHYFMRSA-N 2 0 313.489 2.866 20 0 DFADRP C[N@@H+]1CCN(Cc2cccc3nccn32)[C@@H](c2ccccc2)C1 ZINC000245838036 146104414 /nfs/dbraw/zinc/10/44/14/146104414.db2.gz BPXQWNJVGGKMHI-GOSISDBHSA-N 2 0 306.413 2.823 20 0 DFADRP COc1ccc(COCCC[NH2+][C@@H]2C[C@@H](C)[N@H+](C)C[C@@H]2C)cc1 ZINC000247109520 146162060 /nfs/dbraw/zinc/16/20/60/146162060.db2.gz SYGZPRDRFDGDKC-FRQCXROJSA-N 2 0 320.477 2.920 20 0 DFADRP CC1(C)[C@H](O)C[C@H]1[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000248886126 146173793 /nfs/dbraw/zinc/17/37/93/146173793.db2.gz MCBIZNMAKSZKKG-UJWQCDCRSA-N 2 0 314.473 2.931 20 0 DFADRP O[C@@H]1CC[C@H](C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC000249041521 146183775 /nfs/dbraw/zinc/18/37/75/146183775.db2.gz UVUYSVDQSNTNHD-UHZRXMQZSA-N 2 0 314.473 2.933 20 0 DFADRP C[C@H]1CC[C@@H](C[NH+]2CCC(CC[NH+]3C[C@@H](C)O[C@H](C)C3)CC2)O1 ZINC000249121633 146188246 /nfs/dbraw/zinc/18/82/46/146188246.db2.gz SVBZBWDTWFYUHY-FAJBIJEISA-N 2 0 324.509 2.765 20 0 DFADRP C[N@@H+]1CCC[C@@H]2C[NH+](CCCc3ccc4c(c3)CCO4)CC[C@H]21 ZINC000249520561 146200691 /nfs/dbraw/zinc/20/06/91/146200691.db2.gz UZXXOBSNONMZNC-RTBURBONSA-N 2 0 314.473 2.970 20 0 DFADRP C[C@@H]1C[C@H](C[N@H+](C)[C@@H]2CCN(Cc3ccccc3)C2)CC[NH2+]1 ZINC000261539613 146238536 /nfs/dbraw/zinc/23/85/36/146238536.db2.gz CWBACPSREQQLAT-BHIYHBOVSA-N 2 0 301.478 2.581 20 0 DFADRP c1ccc2c(c1)OC[C@H](C[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1)O2 ZINC000261655456 146255176 /nfs/dbraw/zinc/25/51/76/146255176.db2.gz FSXPECMHCAFIJO-LUKYLMHMSA-N 2 0 316.445 2.727 20 0 DFADRP C[C@]1(C[NH3+])CC[N@H+](Cc2c[nH]nc2-c2cccc(Cl)c2)C1 ZINC000261660656 146255694 /nfs/dbraw/zinc/25/56/94/146255694.db2.gz FRVHAEQXEUGQNI-MRXNPFEDSA-N 2 0 304.825 2.901 20 0 DFADRP C[C@@]1(C[NH3+])CC[N@H+](CCc2nc(-c3ccc(Cl)cc3)no2)C1 ZINC000261685405 146259358 /nfs/dbraw/zinc/25/93/58/146259358.db2.gz KGDSTBQTGQBKEH-INIZCTEOSA-N 2 0 320.824 2.603 20 0 DFADRP CCC(CC)(CNC(=O)C[C@@H](C)[NH3+])[NH2+][C@H](C)c1ccccc1 ZINC000261701948 146262207 /nfs/dbraw/zinc/26/22/07/146262207.db2.gz CRUUORMXANLKNF-HUUCEWRRSA-N 2 0 305.466 2.750 20 0 DFADRP CC[NH+](CC)CCO[C@@H]1CC[N@H+](Cc2cccc3c2NCC3)C1 ZINC000261760701 146272212 /nfs/dbraw/zinc/27/22/12/146272212.db2.gz CXEZBDGYANLDNC-GOSISDBHSA-N 2 0 317.477 2.587 20 0 DFADRP C[C@H]([NH3+])CC(=O)NC[C@H]1CCCC[N@@H+]1Cc1cccc(Cl)c1 ZINC000261776558 146274553 /nfs/dbraw/zinc/27/45/53/146274553.db2.gz JEIGYNJTGPLMKU-XJKSGUPXSA-N 2 0 323.868 2.548 20 0 DFADRP COC(=O)c1ccc(Cl)c(CN2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)c1 ZINC000261780333 146275368 /nfs/dbraw/zinc/27/53/68/146275368.db2.gz FKPKZIVMQNHCNX-BJJXKVORSA-N 2 0 322.836 2.686 20 0 DFADRP [NH3+]C[C@H]1CCCC[C@H]1Nc1ncnc2c1cnn2-c1ccccc1 ZINC000261791615 146277408 /nfs/dbraw/zinc/27/74/08/146277408.db2.gz YZFBEUXFIBWOAA-CZUORRHYSA-N 2 0 322.416 2.745 20 0 DFADRP CC(C)c1cccc(NC(=O)CN2CCC[C@H]([C@H](C)[NH3+])C2)c1 ZINC000261821868 146283070 /nfs/dbraw/zinc/28/30/70/146283070.db2.gz ASRIMTYLNZGTCO-HOCLYGCPSA-N 2 0 303.450 2.808 20 0 DFADRP C[C@@]1(C[NH3+])CC[N@H+](CCOc2ccccc2C(F)(F)F)C1 ZINC000261867205 146291454 /nfs/dbraw/zinc/29/14/54/146291454.db2.gz SQVXKNCRACXLTB-AWEZNQCLSA-N 2 0 302.340 2.755 20 0 DFADRP [NH3+][C@@H]1CC[C@@H]2CN(Cc3c(F)cccc3Br)C[C@@H]12 ZINC000261937014 146305563 /nfs/dbraw/zinc/30/55/63/146305563.db2.gz MGBWSHGWOICPAY-GPCCPHFNSA-N 2 0 313.214 2.757 20 0 DFADRP [NH3+][C@@H](CC1CCCCC1)C(=O)N1CCC([NH+]2CCCCC2)CC1 ZINC000261963187 146310107 /nfs/dbraw/zinc/31/01/07/146310107.db2.gz XZUXIXQPNWEWNV-SFHVURJKSA-N 2 0 321.509 2.761 20 0 DFADRP C[C@]1(C[N@@H+]2CCC[C@H]2C[C@@H](O)c2ccc(F)cc2)CC[NH2+]C1 ZINC000261977864 146313476 /nfs/dbraw/zinc/31/34/76/146313476.db2.gz IXLUWVNNPMVQIA-KSZLIROESA-N 2 0 306.425 2.713 20 0 DFADRP Cc1ccc2c(C[N@H+]3CCC[C@@H]([C@H](C)[NH3+])C3)cc(=O)oc2c1 ZINC000261983855 146315234 /nfs/dbraw/zinc/31/52/34/146315234.db2.gz RTMHQVYLDUDYHF-UONOGXRCSA-N 2 0 300.402 2.661 20 0 DFADRP CC(=O)Nc1ccc(C[NH+]2CCC([C@@H]3CCC[NH2+]3)CC2)cc1 ZINC000261986937 146317657 /nfs/dbraw/zinc/31/76/57/146317657.db2.gz SHUXPRUNLZVLKD-SFHVURJKSA-N 2 0 301.434 2.609 20 0 DFADRP FC(F)COc1ccc(C[N@@H+]2CCC3(C2)CC[NH2+]CC3)cc1 ZINC000262001240 146320932 /nfs/dbraw/zinc/32/09/32/146320932.db2.gz LJRSYHBCEAUMNR-UHFFFAOYSA-N 2 0 310.388 2.906 20 0 DFADRP Cn1cc(-c2ccc(C[N@H+](C)[C@H]3CCC[NH2+]CC3)s2)cn1 ZINC000262028083 146324020 /nfs/dbraw/zinc/32/40/20/146324020.db2.gz WVVQCVVIYBBGKC-AWEZNQCLSA-N 2 0 304.463 2.723 20 0 DFADRP COc1ccc2nc(C[NH+]3CCC([C@H](C)[NH3+])CC3)sc2c1 ZINC000262034322 146325404 /nfs/dbraw/zinc/32/54/04/146325404.db2.gz XNHVOKSAVDXJEO-NSHDSACASA-N 2 0 305.447 2.864 20 0 DFADRP Fc1ccc(-n2nccc2C[N@@H+]2CCC3(C2)CC[NH2+]CC3)cc1 ZINC000262038046 146326408 /nfs/dbraw/zinc/32/64/08/146326408.db2.gz OULQFPDMGSYAAB-UHFFFAOYSA-N 2 0 314.408 2.587 20 0 DFADRP C[C@@H]([NH3+])[C@@H]1CCC[N@H+](Cc2ccc(-c3cnn(C)c3)s2)C1 ZINC000262047984 146327549 /nfs/dbraw/zinc/32/75/49/146327549.db2.gz ZHCPUGKZJSZXEE-CHWSQXEVSA-N 2 0 304.463 2.708 20 0 DFADRP CCC[N@H+](CC)Cc1ccc(C(=O)N2CC[C@](C)(C[NH3+])C2)cc1 ZINC000262090070 146332099 /nfs/dbraw/zinc/33/20/99/146332099.db2.gz UHSKZYOBDDPAFE-LJQANCHMSA-N 2 0 317.477 2.729 20 0 DFADRP [NH3+][C@@H]1CCC[C@H]2C[N@H+](CCC(=O)Nc3ccccc3Cl)C[C@H]21 ZINC000262099665 146332932 /nfs/dbraw/zinc/33/29/32/146332932.db2.gz ISSDVUPJBCMQMZ-GZBFAFLISA-N 2 0 321.852 2.728 20 0 DFADRP [NH3+]Cc1ccc(-c2noc([C@@H]3CCCCCC[C@H]3[NH3+])n2)cc1 ZINC000262130445 146337122 /nfs/dbraw/zinc/33/71/22/146337122.db2.gz YCMBSHCIZKVHNN-HUUCEWRRSA-N 2 0 300.406 2.960 20 0 DFADRP CCC[C@](C)([NH3+])C(=O)NC[C@@H](Cc1ccccc1)[NH+](CC)CC ZINC000262136648 146338021 /nfs/dbraw/zinc/33/80/21/146338021.db2.gz OASODSNIUYLWAR-MJGOQNOKSA-N 2 0 319.493 2.573 20 0 DFADRP COc1cccc(NC2CC[NH+](CC3CC[NH2+]CC3)CC2)c1 ZINC000262213615 146342909 /nfs/dbraw/zinc/34/29/09/146342909.db2.gz LXVNPWLYJLDYHW-UHFFFAOYSA-N 2 0 303.450 2.571 20 0 DFADRP C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)C1C[C@H]2CCC[C@@H](C1)C2[NH3+] ZINC000262353524 146353455 /nfs/dbraw/zinc/35/34/55/146353455.db2.gz UUMISOUNDKPJEJ-XKTBZMPXSA-N 2 0 321.509 2.519 20 0 DFADRP Cc1ccc2c(C[N@@H+](C)[C@@H]3CCC[NH2+]CC3)cc(=O)oc2c1 ZINC000262409275 146357864 /nfs/dbraw/zinc/35/78/64/146357864.db2.gz CXLPNIRXXRTDGL-OAHLLOKOSA-N 2 0 300.402 2.675 20 0 DFADRP CC[NH+](CC)[C@@H](C(=O)N(C)CC(C)(C)C[NH3+])c1ccccc1 ZINC000262586063 146375364 /nfs/dbraw/zinc/37/53/64/146375364.db2.gz OWLLLPUFTXVSQE-MRXNPFEDSA-N 2 0 305.466 2.513 20 0 DFADRP CCC[C@@](C)([NH3+])C(=O)NC[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000262703051 146383435 /nfs/dbraw/zinc/38/34/35/146383435.db2.gz KAMRAWQFXWLZSZ-RHSMWYFYSA-N 2 0 323.506 2.594 20 0 DFADRP C[NH+](C)CCOCC[NH2+][C@H]1C[C@H](OCc2ccccc2)C1(C)C ZINC000354203690 146947811 /nfs/dbraw/zinc/94/78/11/146947811.db2.gz JCMWPSIYVDBNDG-ROUUACIJSA-N 2 0 320.477 2.538 20 0 DFADRP C[N@@H+]1CCCC[C@@H]1CCC(=O)NC1CC[NH+](C2CCCC2)CC1 ZINC000354490003 147056943 /nfs/dbraw/zinc/05/69/43/147056943.db2.gz PWUADSVAEZGGNE-QGZVFWFLSA-N 2 0 321.509 2.774 20 0 DFADRP CCC[C@H]([NH2+]C(C)C)C(=O)NC1CC[NH+](C2CCCC2)CC1 ZINC000354492539 147058268 /nfs/dbraw/zinc/05/82/68/147058268.db2.gz SHJOEYSUOCTQLH-KRWDZBQOSA-N 2 0 309.498 2.676 20 0 DFADRP CC[N@@H+]1CCCC[C@@H]1C(=O)NCC(C)(C)[NH+]1C[C@H](C)C[C@H](C)C1 ZINC000354706711 147121907 /nfs/dbraw/zinc/12/19/07/147121907.db2.gz BOIYYCSSHSSCKK-IXDOHACOSA-N 2 0 323.525 2.734 20 0 DFADRP CCc1ncc(C[N@@H+]2CCC[C@H](Cc3nccn3C)C2)s1 ZINC000355373473 147289121 /nfs/dbraw/zinc/28/91/21/147289121.db2.gz XOCGSGWYGIEQPM-CYBMUJFWSA-N 2 0 304.463 2.894 20 0 DFADRP CC[N@H+](C)Cc1cccc(CNC(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)c1 ZINC000355410758 147304987 /nfs/dbraw/zinc/30/49/87/147304987.db2.gz KPQJWCSDRDEWPA-HOTGVXAUSA-N 2 0 317.477 2.627 20 0 DFADRP CC[NH+](CC)[C@H](C(=O)NCC[N@H+](CC)C(C)C)c1ccccc1 ZINC000355648425 147396604 /nfs/dbraw/zinc/39/66/04/147396604.db2.gz CXVMTXNSWAFEIW-SFHVURJKSA-N 2 0 319.493 2.916 20 0 DFADRP CCC(C)(C)[NH2+][C@@H](C)C(=O)NCc1ccc(C[NH+](C)C)c(F)c1 ZINC000357612183 148058057 /nfs/dbraw/zinc/05/80/57/148058057.db2.gz XDDLHBFLZDXXGL-ZDUSSCGKSA-N 2 0 323.456 2.670 20 0 DFADRP C[NH+](C)CC1CC[NH+](Cc2cnn(-c3ccc(F)cc3)c2)CC1 ZINC000350174982 286014868 /nfs/dbraw/zinc/01/48/68/286014868.db2.gz FFKXNUZJOIQRDG-UHFFFAOYSA-N 2 0 316.424 2.785 20 0 DFADRP CC[NH+](CC)CC1CC[NH+](Cc2cnn3ccccc23)CC1 ZINC000350174642 286014964 /nfs/dbraw/zinc/01/49/64/286014964.db2.gz DFRBIVDIBQEVJD-UHFFFAOYSA-N 2 0 300.450 2.888 20 0 DFADRP CC(C)COc1ccccc1C[NH2+]CC1CC[NH+](CCO)CC1 ZINC000357652030 148071117 /nfs/dbraw/zinc/07/11/17/148071117.db2.gz UCZLKCHATOXPTK-UHFFFAOYSA-N 2 0 320.477 2.515 20 0 DFADRP CC[NH+](CC)CC1CC[NH+](Cc2ccc([S@](C)=O)cc2)CC1 ZINC000350176628 286015118 /nfs/dbraw/zinc/01/51/18/286015118.db2.gz NEJLLDBTCITNOR-QFIPXVFZSA-N 2 0 322.518 2.978 20 0 DFADRP C[C@H](C(=O)N1CC[NH+](CCC(C)(C)C)CC1)[NH+]1CCCCCC1 ZINC000357824762 148139093 /nfs/dbraw/zinc/13/90/93/148139093.db2.gz JZIAGWPFVGFEFY-QGZVFWFLSA-N 2 0 323.525 2.831 20 0 DFADRP C[C@H](C(=O)N(C)CC[N@H+](C)C1CCCCC1)[NH+]1CCCCCC1 ZINC000357918617 148175324 /nfs/dbraw/zinc/17/53/24/148175324.db2.gz UJKSHFNZOJYGNH-QGZVFWFLSA-N 2 0 323.525 2.974 20 0 DFADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]CCOC2CCCC2)[C@H](C)C1 ZINC000358016753 148214460 /nfs/dbraw/zinc/21/44/60/148214460.db2.gz HLDHBOYJRWONFG-AEFFLSMTSA-N 2 0 312.498 2.672 20 0 DFADRP C[N@H+]1CC=C(C[NH2+]Cc2cccc(C(=O)OC(C)(C)C)c2)CC1 ZINC000350292821 286025685 /nfs/dbraw/zinc/02/56/85/286025685.db2.gz ZQDLKNZZPXDZCU-UHFFFAOYSA-N 2 0 316.445 2.993 20 0 DFADRP c1c(C[NH2+]C[C@H]2CC23CCSCC3)onc1C1CC[NH2+]CC1 ZINC000425895805 296603495 /nfs/dbraw/zinc/60/34/95/296603495.db2.gz LGLHABCIIPGUPZ-CQSZACIVSA-N 2 0 321.490 2.765 20 0 DFADRP CSc1ccccc1C[N@H+](C)CC1CC[NH+](C[C@@H](C)O)CC1 ZINC000358049461 148226783 /nfs/dbraw/zinc/22/67/83/148226783.db2.gz ODUWHMFFVUBBJS-OAHLLOKOSA-N 2 0 322.518 2.933 20 0 DFADRP c1c(C[NH2+][C@H]2C[C@H]2Cc2ccccc2)onc1C1CC[NH2+]CC1 ZINC000425904473 296603713 /nfs/dbraw/zinc/60/37/13/296603713.db2.gz YSJFJCOLYNMNBY-AEFFLSMTSA-N 2 0 311.429 2.862 20 0 DFADRP C[N@@H+]1CC[C@@](O)(CN[C@@H]2CCSc3ccc(Cl)cc32)C1 ZINC000358257554 148307755 /nfs/dbraw/zinc/30/77/55/148307755.db2.gz SBBHPTJWOXPFFA-UKRRQHHQSA-N 2 0 312.866 2.533 20 0 DFADRP CC[N@@H+]1CC[C@@H]([NH2+]CCCc2ccc3c(c2)OCCO3)[C@@H](C)C1 ZINC000358281862 148316884 /nfs/dbraw/zinc/31/68/84/148316884.db2.gz DCLDKDSDRZATNO-DOTOQJQBSA-N 2 0 318.461 2.710 20 0 DFADRP Cc1cccc2c1CC[C@@H]2[NH2+]C1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000358304391 148322481 /nfs/dbraw/zinc/32/24/81/148322481.db2.gz RWANGIWOKXLHLG-ZCNNSNEGSA-N 2 0 314.473 2.950 20 0 DFADRP C[C@@H]1C[N@H+](C)C[C@@H]1N[C@@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000358407092 148349243 /nfs/dbraw/zinc/34/92/43/148349243.db2.gz QZESPTRKSMUWHH-RWQQGDIJSA-N 2 0 301.478 2.579 20 0 DFADRP Cc1cccc(C)c1NC(=O)[C@H](C)[N@@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000358517879 148382086 /nfs/dbraw/zinc/38/20/86/148382086.db2.gz PYLZOODJKSCGMZ-INIZCTEOSA-N 2 0 315.461 2.706 20 0 DFADRP C[C@H](Cc1cnn(C)c1)[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000350477081 286047387 /nfs/dbraw/zinc/04/73/87/286047387.db2.gz LPAORZNSPYHQAM-OAHLLOKOSA-N 2 0 304.482 2.738 20 0 DFADRP CC[C@H](C(=O)N(CC[NH+](C)C)Cc1ccccc1)[NH+](CC)CC ZINC000359577032 148697854 /nfs/dbraw/zinc/69/78/54/148697854.db2.gz BCDCJBIHJFYKTJ-GOSISDBHSA-N 2 0 319.493 2.697 20 0 DFADRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H]2CCOC3(CCC3)C2)[C@@H](C)C1 ZINC000358301919 286064000 /nfs/dbraw/zinc/06/40/00/286064000.db2.gz PRHGAQNSFBGQRA-KSZLIROESA-N 2 0 324.509 2.815 20 0 DFADRP COC[C@H](C[NH+]1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1)OC ZINC000660007077 543524267 /nfs/dbraw/zinc/52/42/67/543524267.db2.gz YOEVXAHEBHEWEL-AEFFLSMTSA-N 2 0 312.498 2.624 20 0 DFADRP C[C@H]1CCCC[N@@H+]1CCC1CC[NH+](C[C@]2(O)CCCOC2)CC1 ZINC000660006766 543524364 /nfs/dbraw/zinc/52/43/64/543524364.db2.gz UGGKCUXQUBJNSC-PKOBYXMFSA-N 2 0 324.509 2.504 20 0 DFADRP C[NH+](C)Cc1ccc(-c2noc([C@H]3CCC[C@H]([NH3+])C3)n2)cc1 ZINC000350723900 286077644 /nfs/dbraw/zinc/07/76/44/286077644.db2.gz FXYAMJZSKRSSBJ-GJZGRUSLSA-N 2 0 300.406 2.783 20 0 DFADRP Fc1ccccc1N1CC[C@H](C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)C1 ZINC000361009707 149007439 /nfs/dbraw/zinc/00/74/39/149007439.db2.gz MHEQKKFHDQGOLT-IXDOHACOSA-N 2 0 317.452 2.868 20 0 DFADRP COc1ccc(COCCC[NH2+][C@@H]2CC[N@H+](C)C[C@@H]2C)cc1 ZINC000361011205 149007725 /nfs/dbraw/zinc/00/77/25/149007725.db2.gz DAIZODFKFWCUCC-MAUKXSAKSA-N 2 0 306.450 2.532 20 0 DFADRP CCC[C@H](CC)[NH2+]Cc1c(C)nn(C)c1N1CCC[N@H+](C)CC1 ZINC000361027102 149012922 /nfs/dbraw/zinc/01/29/22/149012922.db2.gz DGWCDNWNRXBSME-INIZCTEOSA-N 2 0 321.513 2.539 20 0 DFADRP CC1(C)C[C@@H]([N@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)CO1 ZINC000660446436 543526632 /nfs/dbraw/zinc/52/66/32/543526632.db2.gz FKMGTIRZWNLYJK-FGTMMUONSA-N 2 0 300.446 2.618 20 0 DFADRP C[C@@H]([NH2+][C@H]1CCN(C2CC2)C1)c1ccc(OCC[NH+](C)C)cc1 ZINC000361067715 149022440 /nfs/dbraw/zinc/02/24/40/149022440.db2.gz JJJOXOGNWUIQOM-WBVHZDCISA-N 3 0 317.477 2.514 20 0 DFADRP Cn1cc(C[N@@H+]2CC[C@@H](C3CC[NH+](C)CC3)C2)c(C(F)F)n1 ZINC000361117391 149031791 /nfs/dbraw/zinc/03/17/91/149031791.db2.gz JMSVDPWBZBNWPF-CYBMUJFWSA-N 2 0 312.408 2.521 20 0 DFADRP Cn1nccc1CN1CCC[C@H]([N@H+](C)Cc2ccccc2)CC1 ZINC000361152297 149041230 /nfs/dbraw/zinc/04/12/30/149041230.db2.gz BVSWOQYRUDCGJP-SFHVURJKSA-N 2 0 312.461 2.907 20 0 DFADRP Cc1cccc2c1CC[C@H]2[NH2+]CCCC[N@@H+]1CCC[C@H]1CO ZINC000361350505 149093488 /nfs/dbraw/zinc/09/34/88/149093488.db2.gz GPWJIWCVLFSMFG-QFBILLFUSA-N 2 0 302.462 2.809 20 0 DFADRP C[C@@H]([NH2+]C[C@@]1(C)CCOC1)c1ccc(OCC[NH+](C)C)cc1 ZINC000361387220 149102626 /nfs/dbraw/zinc/10/26/26/149102626.db2.gz USIGQLNVMIJXEM-CRAIPNDOSA-N 2 0 306.450 2.704 20 0 DFADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@@]1(C)CCOC1 ZINC000361398395 149105187 /nfs/dbraw/zinc/10/51/87/149105187.db2.gz SZSGDEUAGUIOEZ-NZSAHSFTSA-N 2 0 302.462 2.913 20 0 DFADRP CC1CCN(C(=[NH2+])NC[C@@H]2CC[N@H+](C)[C@H]2c2cccs2)CC1 ZINC000361947164 149262902 /nfs/dbraw/zinc/26/29/02/149262902.db2.gz ZAWGPQJBVWUTIV-GOEBONIOSA-N 2 0 320.506 2.997 20 0 DFADRP CC1CCN(C(=[NH2+])NC[C@H]2CC[N@H+](C)[C@H]2c2cccs2)CC1 ZINC000361947159 149262915 /nfs/dbraw/zinc/26/29/15/149262915.db2.gz ZAWGPQJBVWUTIV-GDBMZVCRSA-N 2 0 320.506 2.997 20 0 DFADRP C[C@H](CCNC(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C)[NH+](C)C ZINC000667196211 543564149 /nfs/dbraw/zinc/56/41/49/543564149.db2.gz RKMHSZPBCORLNT-DYVFJYSZSA-N 2 0 318.465 2.697 20 0 DFADRP C[NH+](C)CC1CC[NH+](CCC(=O)Nc2ccc(Cl)cc2)CC1 ZINC000350954278 286101904 /nfs/dbraw/zinc/10/19/04/286101904.db2.gz YYLGGYDPYNJTQG-UHFFFAOYSA-N 2 0 323.868 2.942 20 0 DFADRP Cc1cccc(NC(=O)[C@H](C)[NH+]2CCC(C[NH+](C)C)CC2)c1C ZINC000350954635 286101970 /nfs/dbraw/zinc/10/19/70/286101970.db2.gz ZXQQZLMVMVMOCS-INIZCTEOSA-N 2 0 317.477 2.904 20 0 DFADRP CCN(C(=O)[C@@H](C)[NH+]1CCC(C[NH+](C)C)CC1)c1ccccc1 ZINC000350952397 286101974 /nfs/dbraw/zinc/10/19/74/286101974.db2.gz RWAJTZCJRSGEBR-MRXNPFEDSA-N 2 0 317.477 2.702 20 0 DFADRP [NH3+][C@@H]1CC[C@@H]2C[N@H+](CCOc3ccc(C(F)(F)F)cc3)C[C@@H]12 ZINC000351482072 286131627 /nfs/dbraw/zinc/13/16/27/286131627.db2.gz YOLREOCMDOQHMQ-KCPJHIHWSA-N 2 0 314.351 2.753 20 0 DFADRP [NH3+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccc(OCC(F)(F)F)cc3)C[C@@H]12 ZINC000351482084 286131632 /nfs/dbraw/zinc/13/16/32/286131632.db2.gz YRPTZAOEFDLTAL-BPLDGKMQSA-N 2 0 314.351 2.797 20 0 DFADRP Cc1nccn1CCC[N@@H+]1CCC[C@@H](C[NH+]2CCCCC2)C1 ZINC000371196483 150000855 /nfs/dbraw/zinc/00/08/55/150000855.db2.gz DVUXSRWPNXAPMS-SFHVURJKSA-N 2 0 304.482 2.780 20 0 DFADRP O=C(CC[N@@H+]1CCC[C@@H](C[NH+]2CCCCC2)C1)NC1CCCC1 ZINC000371197436 150000881 /nfs/dbraw/zinc/00/08/81/150000881.db2.gz WPUIBRJGVKYQJL-KRWDZBQOSA-N 2 0 321.509 2.633 20 0 DFADRP Cc1ccnc(NC[C@@H]2CC[NH+](CC[C@H]3CCC[N@H+]3C)C2)c1 ZINC000371204545 150002954 /nfs/dbraw/zinc/00/29/54/150002954.db2.gz IFSJFZKVKJONMK-DLBZAZTESA-N 2 0 302.466 2.608 20 0 DFADRP COCc1cccc(C[N@@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@@H]32)c1 ZINC000371295498 150018301 /nfs/dbraw/zinc/01/83/01/150018301.db2.gz RYTXAXQTEJIXDH-CEXWTWQISA-N 2 0 318.461 2.517 20 0 DFADRP COc1ccc(CN2C[C@@H]3C[N@@H+]4CCCC[C@@H]4[C@H]3C2)c(OC)c1 ZINC000371402774 150039738 /nfs/dbraw/zinc/03/97/38/150039738.db2.gz BFZVWJFQTXUKCX-BPQIPLTHSA-N 2 0 316.445 2.620 20 0 DFADRP COc1cc(CN2C[C@@H]3C[N@@H+]4CCCC[C@H]4[C@@H]3C2)cc(OC)c1 ZINC000371403569 150039900 /nfs/dbraw/zinc/03/99/00/150039900.db2.gz UPWMQQMWAYTTLS-LZQZEXGQSA-N 2 0 316.445 2.620 20 0 DFADRP Fc1cc(F)cc(C[NH+]2CCC(CC[NH+]3CCOCC3)CC2)c1 ZINC000371417518 150044541 /nfs/dbraw/zinc/04/45/41/150044541.db2.gz VSUWEKRQHXSMHX-UHFFFAOYSA-N 2 0 324.415 2.899 20 0 DFADRP Cc1ncc(CN2CC[C@H]3CC[N@@H+](C)[C@@H]3C2)n1-c1ccccc1 ZINC000371541305 150062841 /nfs/dbraw/zinc/06/28/41/150062841.db2.gz AEBYPQWFVCGVEL-VQIMIIECSA-N 2 0 310.445 2.707 20 0 DFADRP Cc1nn(C)c(C)c1C[NH2+]C[C@@H]1CC[N@H+](C)[C@H]1c1ccccc1 ZINC000371723983 150086638 /nfs/dbraw/zinc/08/66/38/150086638.db2.gz OMNIVFAGCGRWOS-HKUYNNGSSA-N 2 0 312.461 2.820 20 0 DFADRP Cn1ccnc1CC1CC[NH+](CC[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000372018755 150125510 /nfs/dbraw/zinc/12/55/10/150125510.db2.gz KYUGNEQXSIKKII-KRWDZBQOSA-N 2 0 304.482 2.549 20 0 DFADRP O=C(Nc1cccc(C[NH+]2CCCCC2)c1)[C@@H]1C[C@]12CC[NH2+]C2 ZINC000372433013 150172344 /nfs/dbraw/zinc/17/23/44/150172344.db2.gz ZNUOQHUQTCTAKR-HKUYNNGSSA-N 2 0 313.445 2.611 20 0 DFADRP COc1c(C)cnc(C[N@H+](C)C[C@H]2CCc3nccn3C2)c1C ZINC000372527505 150179134 /nfs/dbraw/zinc/17/91/34/150179134.db2.gz RGHDQJNSIBSRGP-OAHLLOKOSA-N 2 0 314.433 2.598 20 0 DFADRP COC(C[NH2+][C@@H](C)c1ccc(-n2ccnc2C)c(F)c1)OC ZINC000372899962 150199706 /nfs/dbraw/zinc/19/97/06/150199706.db2.gz MHUMSFPZDIOYDG-NSHDSACASA-N 2 0 307.369 2.589 20 0 DFADRP CCC(=O)N1CCC[C@@H]1[C@H]1CCC[N@H+]1CCC[NH+](CC)CC ZINC000372947132 150206783 /nfs/dbraw/zinc/20/67/83/150206783.db2.gz JHHKRFGLANIGBT-IAGOWNOFSA-N 2 0 309.498 2.584 20 0 DFADRP CCN(C(=O)CN1CCC[C@@H]([NH+](C)C)CC1)C1CCCCC1 ZINC000372989800 150212655 /nfs/dbraw/zinc/21/26/55/150212655.db2.gz MJRSZNACANRIHN-MRXNPFEDSA-N 2 0 309.498 2.584 20 0 DFADRP Cc1ccc(C[N@@H+](C)[C@H]2CCN(C3CC[NH+](C)CC3)C2)cc1C ZINC000373002077 150215011 /nfs/dbraw/zinc/21/50/11/150215011.db2.gz ZLVZTDYGOCYOJX-FQEVSTJZSA-N 2 0 315.505 2.904 20 0 DFADRP COc1cccc(CN2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@@H]32)c1F ZINC000373858529 150268373 /nfs/dbraw/zinc/26/83/73/150268373.db2.gz HKTGCOMDMHYEOS-HLLBOEOZSA-N 2 0 322.424 2.518 20 0 DFADRP CCCCN(C)C(=O)C1CC[NH+](CC[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000351617748 286171365 /nfs/dbraw/zinc/17/13/65/286171365.db2.gz ZQOKSOWSSHHIHG-SFHVURJKSA-N 2 0 323.525 2.831 20 0 DFADRP CC(=O)Nc1cccc(C[N@H+]2CCCC3(CC[NH+](C)CC3)C2)c1 ZINC000374075828 150303398 /nfs/dbraw/zinc/30/33/98/150303398.db2.gz XHRUTRRHDBMCQJ-UHFFFAOYSA-N 2 0 315.461 2.953 20 0 DFADRP C[C@@H]1CN(Cc2ccccc2Cl)CCN1C1CC[NH+](C)CC1 ZINC000374259315 150330862 /nfs/dbraw/zinc/33/08/62/150330862.db2.gz OUVDSHZMFKKECT-OAHLLOKOSA-N 2 0 321.896 2.940 20 0 DFADRP c1cncc([C@H]2CCC[C@H]([NH2+]CCCC[NH+]3CCOCC3)C2)c1 ZINC000374304376 150340566 /nfs/dbraw/zinc/34/05/66/150340566.db2.gz YKMROYQMOGLSLH-HKUYNNGSSA-N 2 0 317.477 2.810 20 0 DFADRP CCn1ccnc1C[NH+]1CCC2(C[C@H]2C[N@H+](C)C2CC2)CC1 ZINC000374319347 150343469 /nfs/dbraw/zinc/34/34/69/150343469.db2.gz XRJJOLHXOBQICS-HNNXBMFYSA-N 2 0 302.466 2.599 20 0 DFADRP C[N@@H+]1CCCC[C@@H]1CCN1CC[NH+](CCc2ccccc2)CC1 ZINC000351690754 286194791 /nfs/dbraw/zinc/19/47/91/286194791.db2.gz GCACYGSYFWJWQK-HXUWFJFHSA-N 2 0 315.505 2.721 20 0 DFADRP CCC[C@@H]([NH2+]C(C)C)C(=O)NC[C@@H](c1cccc(F)c1)[NH+](C)C ZINC000352142647 286303124 /nfs/dbraw/zinc/30/31/24/286303124.db2.gz VXMAIXQKAVITCD-SJORKVTESA-N 2 0 323.456 2.711 20 0 DFADRP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000352411799 286366680 /nfs/dbraw/zinc/36/66/80/286366680.db2.gz YXYPZCLWAZIMLL-IYBDPMFKSA-N 2 0 321.509 2.773 20 0 DFADRP CC(C)CNC(=O)c1cccc(C[N@@H+]2CCCC[C@@H]2CC[NH3+])c1 ZINC000352504877 286391535 /nfs/dbraw/zinc/39/15/35/286391535.db2.gz VSFSGDGLEHBLPY-GOSISDBHSA-N 2 0 317.477 2.776 20 0 DFADRP C[NH+]1CCC(C[NH2+]Cc2cc(O)cc(C(F)(F)F)c2)CC1 ZINC000352840532 286481750 /nfs/dbraw/zinc/48/17/50/286481750.db2.gz NJPXWPAKUIKKBP-UHFFFAOYSA-N 2 0 302.340 2.842 20 0 DFADRP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)NCC1([NH+]2CCCCC2)CCCCC1 ZINC000353197584 286577184 /nfs/dbraw/zinc/57/71/84/286577184.db2.gz YQFSWTHMCXTDPD-IRXDYDNUSA-N 2 0 321.509 2.680 20 0 DFADRP CC(C)[C@@H]1[NH2+]CC[C@H]1C(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000353437378 286644331 /nfs/dbraw/zinc/64/43/31/286644331.db2.gz CBHJWSDJLWMVFA-MSOLQXFVSA-N 2 0 321.509 2.534 20 0 DFADRP CCCCOC(=O)CC[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000246281698 158084702 /nfs/dbraw/zinc/08/47/02/158084702.db2.gz AYPORONZUKWLSP-RDJZCZTQSA-N 2 0 308.466 2.669 20 0 DFADRP C[C@H](CNC(=O)c1cccc(C[NH+](C)C)c1)[N@@H+]1CCC[C@H](C)C1 ZINC000246816181 158100505 /nfs/dbraw/zinc/10/05/05/158100505.db2.gz IYHIOMJFVVDPIR-JKSUJKDBSA-N 2 0 317.477 2.598 20 0 DFADRP CCCn1cc(CN2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cn1 ZINC000246818022 158100532 /nfs/dbraw/zinc/10/05/32/158100532.db2.gz RGPCCRXEWQWENT-FUHWJXTLSA-N 2 0 302.466 2.742 20 0 DFADRP C[C@](O)(C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1)c1ccccc1 ZINC000246880645 158103532 /nfs/dbraw/zinc/10/35/32/158103532.db2.gz QLKMOZRRWDZCJN-UXPWSPDFSA-N 2 0 314.473 2.843 20 0 DFADRP CC[N@@H+]1CC[C@H]([NH2+][C@H]2CCCN(Cc3ccccc3)C2)[C@H](C)C1 ZINC000246969985 158110347 /nfs/dbraw/zinc/11/03/47/158110347.db2.gz JAVDBZNPWXAVIW-HOJAQTOUSA-N 2 0 315.505 2.971 20 0 DFADRP C[C@H](c1nc(C2CC2)no1)N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000246981894 158111716 /nfs/dbraw/zinc/11/17/16/158111716.db2.gz VXAUIUIFEPBAAR-INWMFGNUSA-N 2 0 316.449 2.957 20 0 DFADRP Cc1ccc([C@H](O)C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)cc1 ZINC000246994146 158112198 /nfs/dbraw/zinc/11/21/98/158112198.db2.gz WOQIXICFMISRIV-YZGWKJHDSA-N 2 0 314.473 2.977 20 0 DFADRP CC(=O)Oc1ccc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)cc1 ZINC000247329395 158130271 /nfs/dbraw/zinc/13/02/71/158130271.db2.gz WTPUJORLTWSHOP-FUHWJXTLSA-N 2 0 302.418 2.528 20 0 DFADRP CCC[NH+](CCC)CCCC(=O)N[C@@H]1C[N@@H+](C(C)C)C[C@H]1C ZINC000247477819 158138700 /nfs/dbraw/zinc/13/87/00/158138700.db2.gz VWAGOWFZNRDOIT-IAGOWNOFSA-N 2 0 311.514 2.734 20 0 DFADRP Cc1nc2ccccc2n1CCC[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000248029122 158156545 /nfs/dbraw/zinc/15/65/45/158156545.db2.gz PZTIVRKURBICNY-GOEBONIOSA-N 2 0 300.450 2.807 20 0 DFADRP CC[N@@H+]1CC[C@H]([NH2+]Cc2ccccc2Cn2cccn2)[C@@H](C)C1 ZINC000248031190 158157420 /nfs/dbraw/zinc/15/74/20/158157420.db2.gz QKYBMVBSAYOLAH-LPHOPBHVSA-N 2 0 312.461 2.751 20 0 DFADRP C[C@H](O)C[NH+]1CCC(C[N@H+](C)[C@H]2CCc3ccc(F)cc32)CC1 ZINC000248327824 158166574 /nfs/dbraw/zinc/16/65/74/158166574.db2.gz CPOQQFNPUXXMQS-LIRRHRJNSA-N 2 0 320.452 2.838 20 0 DFADRP CC[N@H+](C)CCN[C@@H]1CCC[C@@H]2C[NH+](Cc3ccccc3)C[C@@H]21 ZINC000248403507 158172065 /nfs/dbraw/zinc/17/20/65/158172065.db2.gz OQFRAWLUWKYBLO-HSALFYBXSA-N 2 0 315.505 2.828 20 0 DFADRP COCCC[C@H](C)[NH2+]Cc1ccccc1C[N@@H+]1CCC[C@H]1CO ZINC000248458835 158177908 /nfs/dbraw/zinc/17/79/08/158177908.db2.gz VEWLUFGMIITVII-LPHOPBHVSA-N 2 0 320.477 2.548 20 0 DFADRP C[N@H+](CCN1CCC[C@H]1C[NH+]1CCCC1)Cc1ccc(F)cc1 ZINC000248548107 158182294 /nfs/dbraw/zinc/18/22/94/158182294.db2.gz GOGXDLVJKBWLOM-IBGZPJMESA-N 2 0 319.468 2.818 20 0 DFADRP C[C@@H](C[C@H](O)c1ccc(F)cc1)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000248742926 158198684 /nfs/dbraw/zinc/19/86/84/158198684.db2.gz ALQSMHUSKAKZTP-LRCWTTKQSA-N 2 0 306.425 2.853 20 0 DFADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NCC[NH+]1CC=C(C(C)(C)C)CC1 ZINC000354916411 158243772 /nfs/dbraw/zinc/24/37/72/158243772.db2.gz SNCUJXRHNMMIFC-QGZVFWFLSA-N 2 0 321.509 2.655 20 0 DFADRP CCc1nnc(CN2CCC(CC[N@@H+](CC)CC3CC3)CC2)[nH]1 ZINC000355050997 158260915 /nfs/dbraw/zinc/26/09/15/158260915.db2.gz ILYWPNLCCZUOJU-UHFFFAOYSA-N 2 0 319.497 2.701 20 0 DFADRP CC[C@@H]1CC[C@@H](C)[N@@H+]1CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000355060027 158262861 /nfs/dbraw/zinc/26/28/61/158262861.db2.gz UMWZWVUTPWMRIL-NXHRZFHOSA-N 2 0 317.477 2.668 20 0 DFADRP COC(=O)C[C@@H]1CC[C@@H]([NH2+]CC(C)(C)C[NH+]2CCCC2)[C@H]1C ZINC000355143228 158284204 /nfs/dbraw/zinc/28/42/04/158284204.db2.gz ZRPLVVKIIPQDKK-HRCADAONSA-N 2 0 310.482 2.676 20 0 DFADRP COc1cc(C)c(C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)cc1OC ZINC000355212699 158300275 /nfs/dbraw/zinc/30/02/75/158300275.db2.gz PBOWNSDKSYBVBV-DOTOQJQBSA-N 2 0 318.461 2.928 20 0 DFADRP C[C@H]([NH2+]CCc1ccc(OCC[NH+](C)C)cc1)[C@@H]1CCCOC1 ZINC000356870814 158317214 /nfs/dbraw/zinc/31/72/14/158317214.db2.gz OMRNPAOXSJWJTQ-FUHWJXTLSA-N 2 0 320.477 2.574 20 0 DFADRP C[C@@H]1C[C@@H](C[NH+]2CCC(CCC[NH+]3CCOCC3)CC2)CCO1 ZINC000356936772 158326665 /nfs/dbraw/zinc/32/66/65/158326665.db2.gz MRDAMMZALKCYNI-MJGOQNOKSA-N 2 0 324.509 2.626 20 0 DFADRP CC[C@@H]1C[C@@H](C[NH+]2CCC(OCC[NH+]3CCCC3)CC2)CCO1 ZINC000356986104 158339301 /nfs/dbraw/zinc/33/93/01/158339301.db2.gz JCFLCGMTLXHXNU-ZWKOTPCHSA-N 2 0 324.509 2.768 20 0 DFADRP CCn1nc(C[NH+]2CCC([C@@H]3CC[NH2+]C3)CC2)c2ccccc21 ZINC000357053432 158356740 /nfs/dbraw/zinc/35/67/40/158356740.db2.gz OTUYNKICTGHGHV-MRXNPFEDSA-N 2 0 312.461 2.878 20 0 DFADRP C[N@H+](Cc1ccccc1)CC(C)(C)CN1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000357054487 158357228 /nfs/dbraw/zinc/35/72/28/158357228.db2.gz QDORGUILHSRQLK-RBUKOAKNSA-N 3 0 315.505 2.686 20 0 DFADRP COc1cccc(C[NH+]2CCC([C@H]3CC[NH2+]C3)CC2)c1OC ZINC000357059211 158358167 /nfs/dbraw/zinc/35/81/67/158358167.db2.gz WOKQFQVTSSZSFE-HNNXBMFYSA-N 2 0 304.434 2.525 20 0 DFADRP CC(C)[C@@H](C(=O)NCCCCC[NH+]1CCCC1)[NH+]1CCCCC1 ZINC000357088043 158363515 /nfs/dbraw/zinc/36/35/15/158363515.db2.gz MVVZOMJNBKKDRD-SFHVURJKSA-N 2 0 323.525 2.879 20 0 DFADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CCCc2ccccn2)[C@@H](C)C1 ZINC000358291726 158368734 /nfs/dbraw/zinc/36/87/34/158368734.db2.gz GMKRUICAOXWIFO-PKOBYXMFSA-N 2 0 319.493 2.741 20 0 DFADRP COc1ccc(OC)c(CCC[NH2+][C@@H]2CC[N@H+](C)C[C@H]2C)c1 ZINC000358367579 158371746 /nfs/dbraw/zinc/37/17/46/158371746.db2.gz MRFIWIQJUJYEBP-RHSMWYFYSA-N 2 0 306.450 2.566 20 0 DFADRP Cc1cnc(CC[NH2+]C2CC[NH+](CCc3ccccc3)CC2)nc1 ZINC000358374325 158373323 /nfs/dbraw/zinc/37/33/23/158373323.db2.gz ZRIJPVPUYQFSST-UHFFFAOYSA-N 2 0 324.472 2.624 20 0 DFADRP c1csc(-c2cc(C[N@@H+]3CCC4(C3)CC[NH2+]CC4)no2)c1 ZINC000358506369 158383193 /nfs/dbraw/zinc/38/31/93/158383193.db2.gz JRRKITFAUVNLFV-UHFFFAOYSA-N 2 0 303.431 2.979 20 0 DFADRP Cc1sc(NC(=O)C[N@@H+]2CCC3(C2)CC[NH2+]CC3)c(C)c1C ZINC000358515631 158385409 /nfs/dbraw/zinc/38/54/09/158385409.db2.gz MVMGVJKJHLQBMS-UHFFFAOYSA-N 2 0 321.490 2.687 20 0 DFADRP C[NH2+]CC1CC[NH+](Cc2cccc(C(=O)NCC(C)C)c2)CC1 ZINC000430970830 296816027 /nfs/dbraw/zinc/81/60/27/296816027.db2.gz LGIKPRBOOXUUSI-UHFFFAOYSA-N 2 0 317.477 2.504 20 0 DFADRP C[C@@H](C[NH2+][C@@H](C)C(C)(C)c1ccccc1)CN1CC[NH+](C)CC1 ZINC000120809988 286876537 /nfs/dbraw/zinc/87/65/37/286876537.db2.gz GQYQDBKWFUVWAI-ROUUACIJSA-N 2 0 317.521 2.826 20 0 DFADRP Cc1cc(C)c(NC(=O)C[NH+]2CCC3(CC[NH2+]C3)CC2)c(C)c1 ZINC000431013618 296817729 /nfs/dbraw/zinc/81/77/29/296817729.db2.gz JOUDXGGKBSXKPG-UHFFFAOYSA-N 2 0 315.461 2.626 20 0 DFADRP CC[C@@H]([NH2+][C@@H](C)c1cccc(OCC[NH+](C)C)c1)C(C)(C)O ZINC000295082663 286921746 /nfs/dbraw/zinc/92/17/46/286921746.db2.gz UCDXIRAQXSQDMK-WMLDXEAASA-N 2 0 308.466 2.827 20 0 DFADRP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC000360217532 287013353 /nfs/dbraw/zinc/01/33/53/287013353.db2.gz GPVKWAYMGNHPRH-DLBZAZTESA-N 2 0 309.498 2.632 20 0 DFADRP CC(C)C[C@@H](C[NH+](C)C)NC(=O)C[C@@H](c1ccccc1)[NH+](C)C ZINC000431852198 296853010 /nfs/dbraw/zinc/85/30/10/296853010.db2.gz VHUQFBILYKHGBM-ROUUACIJSA-N 2 0 319.493 2.772 20 0 DFADRP CC[N@@H+]1CC[C@@H]([NH2+]C[C@@H](C)Oc2ccc(OC)cc2)[C@H](C)C1 ZINC000129006182 196011092 /nfs/dbraw/zinc/01/10/92/196011092.db2.gz GUVLYRJWRXDJIL-IIDMSEBBSA-N 2 0 306.450 2.782 20 0 DFADRP CCN(C)C(=O)CC[NH+]1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000130703884 196102606 /nfs/dbraw/zinc/10/26/06/196102606.db2.gz LAUYFIKMBZYCFS-KRWDZBQOSA-N 2 0 323.525 2.831 20 0 DFADRP COc1ccccc1[C@H](C)[NH2+]C[C@@H](C(C)C)N1CC[NH+](C)CC1 ZINC000132340576 196247108 /nfs/dbraw/zinc/24/71/08/196247108.db2.gz PAPDFMRDDBQSQA-WMZOPIPTSA-N 2 0 319.493 2.618 20 0 DFADRP COc1ccc([C@H](C)[NH2+]C[C@H](C(C)C)N2CC[NH+](C)CC2)cc1 ZINC000132328123 196246215 /nfs/dbraw/zinc/24/62/15/196246215.db2.gz JYEZICJJFBDXHF-QFBILLFUSA-N 2 0 319.493 2.618 20 0 DFADRP CCN1CCC[C@H]([NH2+][C@@H](C)c2ccc(OCC[NH+](C)C)cc2)C1 ZINC000132995619 196302796 /nfs/dbraw/zinc/30/27/96/196302796.db2.gz BYVBIZKNLWEDHC-WMZOPIPTSA-N 2 0 319.493 2.762 20 0 DFADRP COc1ccc([C@H](C)[NH2+]C2CC[NH+](C[C@H]3CCOC3)CC2)cc1 ZINC000133094638 196310694 /nfs/dbraw/zinc/31/06/94/196310694.db2.gz BGNPDPZSAWFFFF-JKSUJKDBSA-N 2 0 318.461 2.847 20 0 DFADRP CC[NH+]1CCC(CC[NH2+]Cc2ccc(-c3cc[nH]n3)o2)CC1 ZINC000433330342 296907722 /nfs/dbraw/zinc/90/77/22/296907722.db2.gz BINCQNCFNBOKQL-UHFFFAOYSA-N 2 0 302.422 2.881 20 0 DFADRP CC[NH+](CC)CC1CC[NH+](Cc2c(C3CC3)cnn2C)CC1 ZINC000667502100 543619495 /nfs/dbraw/zinc/61/94/95/543619495.db2.gz TZLRDVYPUKMRTF-UHFFFAOYSA-N 2 0 304.482 2.851 20 0 DFADRP C[NH+](C)C[C@@H](NC(=O)Nc1cccc(C[NH3+])c1)c1ccccc1 ZINC000667732852 543669031 /nfs/dbraw/zinc/66/90/31/543669031.db2.gz UPTPUKJFZBYBOR-QGZVFWFLSA-N 2 0 312.417 2.570 20 0 DFADRP [NH3+]Cc1cccc(NC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000667732584 543669351 /nfs/dbraw/zinc/66/93/51/543669351.db2.gz OCOBLTQXCWCOSE-SFHVURJKSA-N 2 0 324.428 2.541 20 0 DFADRP CC[NH2+]Cc1ccccc1NC(=O)N1CCC[C@@H]([NH2+]C(C)C)C1 ZINC000667779180 543677141 /nfs/dbraw/zinc/67/71/41/543677141.db2.gz KVXNBGKDEDIPDJ-MRXNPFEDSA-N 2 0 318.465 2.790 20 0 DFADRP CC[NH2+]Cc1ccccc1NC(=O)N1CCC[C@H]([NH2+]C(C)C)C1 ZINC000667779179 543677147 /nfs/dbraw/zinc/67/71/47/543677147.db2.gz KVXNBGKDEDIPDJ-INIZCTEOSA-N 2 0 318.465 2.790 20 0 DFADRP CN(C)c1cc[nH+]c(NC(=O)C[C@H](c2ccccc2)[NH+](C)C)c1 ZINC000667984685 543718181 /nfs/dbraw/zinc/71/81/81/543718181.db2.gz CLKPAXNBADIVEU-MRXNPFEDSA-N 2 0 312.417 2.779 20 0 DFADRP C[NH+](C)CCCC(C)(C)NC(=O)C[C@H](c1ccccc1)[NH+](C)C ZINC000668008741 543722435 /nfs/dbraw/zinc/72/24/35/543722435.db2.gz WUNRNPPHZJOLNT-QGZVFWFLSA-N 2 0 319.493 2.916 20 0 DFADRP c1cc(C[NH2+][C@@H]2CO[C@H](C3CC3)C2)cc(C[NH+]2CCCC2)c1 ZINC000667927821 543704937 /nfs/dbraw/zinc/70/49/37/543704937.db2.gz GTQXPRLANQJVCG-OALUTQOASA-N 2 0 300.446 2.940 20 0 DFADRP CC[C@@H](C[NH+]1CCCC1)NC(=O)C[C@@H](c1ccccc1)[NH+](C)C ZINC000667956334 543710682 /nfs/dbraw/zinc/71/06/82/543710682.db2.gz PWOVPOHUVKLXKH-ROUUACIJSA-N 2 0 317.477 2.670 20 0 DFADRP O[C@@H]1CC[N@H+](Cc2ccc(C[NH2+]C3CC4(CCC4)C3)cc2)C1 ZINC000668490459 543814084 /nfs/dbraw/zinc/81/40/84/543814084.db2.gz WMCALOZCGPVJKA-GOSISDBHSA-N 2 0 300.446 2.676 20 0 DFADRP c1ccc(C[N@H+]2C[C@@H](C[NH2+]C3CSC3)C3(CCC3)C2)cc1 ZINC000668713312 543852087 /nfs/dbraw/zinc/85/20/87/543852087.db2.gz MKJVPGWXINGLOF-MRXNPFEDSA-N 2 0 302.487 2.994 20 0 DFADRP C[C@@H](CCc1cccc(F)c1)[NH+]1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000668740859 543859589 /nfs/dbraw/zinc/85/95/89/543859589.db2.gz XVUUQNWZQBTCSF-HNAYVOBHSA-N 2 0 320.452 2.678 20 0 DFADRP C[C@H](C[N@@H+]1CCO[C@@H](CCC[NH+](C)C)C1)c1ccc(F)cc1 ZINC000668785267 543866815 /nfs/dbraw/zinc/86/68/15/543866815.db2.gz OZGISHTVGQRCAC-QAPCUYQASA-N 2 0 308.441 2.972 20 0 DFADRP C[NH+](C)CCC[C@@H]1C[N@H+](C[C@H]2C[C@@H]2c2ccccc2)CCO1 ZINC000668785855 543867447 /nfs/dbraw/zinc/86/74/47/543867447.db2.gz ZIGLXGSDYJAWQA-GUDVDZBRSA-N 2 0 302.462 2.833 20 0 DFADRP C[C@H](C[NH2+]CCCC[NH+]1CCOCC1)c1cc(F)cc(F)c1 ZINC000296580687 226017289 /nfs/dbraw/zinc/01/72/89/226017289.db2.gz WWMQTKFLEXUPLQ-CQSZACIVSA-N 2 0 312.404 2.770 20 0 DFADRP C[NH+]1CCC(N2CC[C@H]([NH2+]C3CCC(C(F)F)CC3)C2)CC1 ZINC000669614807 543975469 /nfs/dbraw/zinc/97/54/69/543975469.db2.gz HLKBPQPCSRLCRG-NRXISQOPSA-N 2 0 315.452 2.568 20 0 DFADRP CO[C@@H]1CC[N@H+](Cc2ccc(OCC[NH+](C)C)cc2)[C@H](C)C1 ZINC000669621114 543976704 /nfs/dbraw/zinc/97/67/04/543976704.db2.gz GYLLIHSYBHXUNH-CRAIPNDOSA-N 2 0 306.450 2.626 20 0 DFADRP CCC(CC)(CNC(=O)NC[C@@H](C)[NH3+])[NH2+][C@@H](C)c1ccccc1 ZINC000669479792 543954547 /nfs/dbraw/zinc/95/45/47/543954547.db2.gz UKRFNBOXSNSIIX-CABCVRRESA-N 2 0 320.481 2.542 20 0 DFADRP c1c2ccccc2[nH]c1C[N@H+]1CCC[C@@H](CN2CCOCC2)C1 ZINC000669718029 543988342 /nfs/dbraw/zinc/98/83/42/543988342.db2.gz PVZPXTOWBALKHE-INIZCTEOSA-N 2 0 313.445 2.712 20 0 DFADRP COc1ccc2c(c1)OCC[C@@H]2[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@H]21 ZINC000671748411 544105874 /nfs/dbraw/zinc/10/58/74/544105874.db2.gz GUPFXFHBTVIOPA-XOYOTBSWSA-N 2 0 316.445 2.981 20 0 DFADRP COc1ccc2c(c1)C[C@H]([NH2+]CCCCC[NH+]1CCCC1)CO2 ZINC000297190561 226819996 /nfs/dbraw/zinc/81/99/96/226819996.db2.gz FIULLWLVAUBGBQ-KRWDZBQOSA-N 2 0 318.461 2.854 20 0 DFADRP OC[C@H](C[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccc(Cl)cc1 ZINC000672619021 544143843 /nfs/dbraw/zinc/14/38/43/544143843.db2.gz HYJFQXGLFMEZMG-USXIJHARSA-N 2 0 308.853 2.632 20 0 DFADRP CC[N@@H+]1CC[C@@H]([NH+](C)CCOCc2ccc(OC)cc2)[C@H](C)C1 ZINC000673716207 544193602 /nfs/dbraw/zinc/19/36/02/544193602.db2.gz SCNQIQBNJGUHES-VQIMIIECSA-N 2 0 320.477 2.874 20 0 DFADRP C[NH+](C)[C@@H](CNC(=O)[C@H]1CCCC[N@@H+]1C)c1ccc(Cl)cc1 ZINC000673749907 544195852 /nfs/dbraw/zinc/19/58/52/544195852.db2.gz QZWNSKZQUGKYJV-CVEARBPZSA-N 2 0 323.868 2.543 20 0 DFADRP C[C@@H](C(=O)NCc1ccc(C[N@@H+]2CCCC[C@@H]2C)cc1)[NH+](C)C ZINC000674245540 544225977 /nfs/dbraw/zinc/22/59/77/544225977.db2.gz PIWXWJYUDUWNEW-HOTGVXAUSA-N 2 0 317.477 2.627 20 0 DFADRP C[C@@H](C(=O)Nc1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1)[NH+](C)C ZINC000674245448 544226192 /nfs/dbraw/zinc/22/61/92/544226192.db2.gz MUIFOMVZROCKSC-GJZGRUSLSA-N 2 0 303.450 2.807 20 0 DFADRP CC[C@@H]1C[N@@H+]2CCCC[C@H]2CN1C(=O)C1CC[NH+](C(C)C)CC1 ZINC000674365111 544236039 /nfs/dbraw/zinc/23/60/39/544236039.db2.gz HQAHSRMEFAALOT-MSOLQXFVSA-N 2 0 321.509 2.582 20 0 DFADRP CC[C@@H]1C[N@@H+]2CCCC[C@@H]2CN1C(=O)C1CC[NH+](C(C)C)CC1 ZINC000674365112 544236173 /nfs/dbraw/zinc/23/61/73/544236173.db2.gz HQAHSRMEFAALOT-QZTJIDSGSA-N 2 0 321.509 2.582 20 0 DFADRP CC[NH+](CC)[C@@H](C(=O)N[C@@H]1C[N@H+](CC)C[C@@H]1C)c1ccccc1 ZINC000674844385 544268746 /nfs/dbraw/zinc/26/87/46/544268746.db2.gz MYNJVEXZWCDRIO-CGTJXYLNSA-N 2 0 317.477 2.526 20 0 DFADRP C[C@@H](CCCC(F)(F)F)[NH2+][C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000681389764 545636186 /nfs/dbraw/zinc/63/61/86/545636186.db2.gz UGVKAHYCDZKOOZ-KBPBESRZSA-N 2 0 321.431 2.866 20 0 DFADRP C[C@@H]1Cc2ccccc2[C@H]1[NH2+]CC(C)(C)N1CC[NH+](C)CC1 ZINC000675742380 544332928 /nfs/dbraw/zinc/33/29/28/544332928.db2.gz NYBGJZSMEXMOKA-QAPCUYQASA-N 2 0 301.478 2.536 20 0 DFADRP CCc1nc(C)c([C@@H](C)[NH2+]CC(C)(C)N2CC[NH+](C)CC2)s1 ZINC000675743028 544333454 /nfs/dbraw/zinc/33/34/54/544333454.db2.gz ZBEMRHDZRKQGFH-CYBMUJFWSA-N 2 0 324.538 2.691 20 0 DFADRP CC[NH+]1CCC([NH2+]CCc2c[nH]c3ccc(OC)cc23)CC1 ZINC000675878438 544341280 /nfs/dbraw/zinc/34/12/80/544341280.db2.gz USDLPQZGFUNXOA-UHFFFAOYSA-N 2 0 301.434 2.793 20 0 DFADRP C[C@H]([NH2+][C@@H](Cn1cccn1)c1ccccc1)C1CC[NH+](C)CC1 ZINC000675900306 544342844 /nfs/dbraw/zinc/34/28/44/544342844.db2.gz UTKSBAVRQGJILR-LPHOPBHVSA-N 2 0 312.461 2.944 20 0 DFADRP CC(=O)Nc1cccc(C[NH+]2CCC[C@H]3C[N@H+](C)CC[C@@H]32)c1 ZINC000676222405 544364430 /nfs/dbraw/zinc/36/44/30/544364430.db2.gz MSOGLSIAJLPTEM-WMZOPIPTSA-N 2 0 301.434 2.561 20 0 DFADRP CC(C)(C[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccc2c(c1)OCO2 ZINC000677238247 544456932 /nfs/dbraw/zinc/45/69/32/544456932.db2.gz ZTGIMOSBJNEWRT-HOTGVXAUSA-N 2 0 316.445 2.909 20 0 DFADRP C[C@H]1C[C@H](CC[NH2+]Cc2ccn(C)n2)C[N@@H+]1Cc1ccccc1 ZINC000677129235 544438375 /nfs/dbraw/zinc/43/83/75/544438375.db2.gz OMJTVSLJHOZJQN-WMZOPIPTSA-N 2 0 312.461 2.810 20 0 DFADRP O[C@H]1CC[C@H]([NH2+]Cc2ccc(OCC[NH+]3CCCC3)cc2)CC1 ZINC000677128789 544438586 /nfs/dbraw/zinc/43/85/86/544438586.db2.gz BXQUCXYYDCVZMX-IYARVYRRSA-N 2 0 318.461 2.554 20 0 DFADRP C[C@H](CC[NH+](C)C)N[C@H]1C[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC000677804313 544543225 /nfs/dbraw/zinc/54/32/25/544543225.db2.gz FBHQKDFGUGHOAP-SJLPKXTDSA-N 2 0 303.494 2.969 20 0 DFADRP CCC[C@H](C(=O)N1CCC(C[NH+]2CCCCCC2)CC1)[NH+](C)C ZINC000677862750 544553447 /nfs/dbraw/zinc/55/34/47/544553447.db2.gz AFPWJWACYSVNJJ-GOSISDBHSA-N 2 0 323.525 2.831 20 0 DFADRP c1ccc(C2CC2)c(C[NH+]2CCN(CC[NH+]3CCCC3)CC2)c1 ZINC000678124894 544605957 /nfs/dbraw/zinc/60/59/57/544605957.db2.gz CCNJYFKJAPPQCD-UHFFFAOYSA-N 2 0 313.489 2.777 20 0 DFADRP C[N@@H+]1CCC[C@@H](N2CC[NH+](C[C@H]3CCCC(C)(C)C3)CC2)C1 ZINC000678259013 544635011 /nfs/dbraw/zinc/63/50/11/544635011.db2.gz VRCNWWVKPMDVIC-ZWKOTPCHSA-N 2 0 307.526 2.915 20 0 DFADRP CC[C@H](C[NH+]1CCN([C@H]2CCC[N@H+](C)C2)CC1)c1ccccc1 ZINC000678258766 544635576 /nfs/dbraw/zinc/63/55/76/544635576.db2.gz MQAFYBPPYBCRSO-QUCCMNQESA-N 2 0 315.505 2.892 20 0 DFADRP C[NH+](C)CCOC1CC[NH+](C[C@@H]2CCOc3ccccc32)CC1 ZINC000678260746 544636104 /nfs/dbraw/zinc/63/61/04/544636104.db2.gz INGHERACAWPHJC-INIZCTEOSA-N 2 0 318.461 2.595 20 0 DFADRP CC1CC([NH2+]Cc2c(Cl)cccc2N2CC[NH+](C)CC2)C1 ZINC000678360306 544658930 /nfs/dbraw/zinc/65/89/30/544658930.db2.gz JIGLECGOCLMOMN-UHFFFAOYSA-N 2 0 307.869 2.980 20 0 DFADRP C[C@@]1([NH2+]Cc2ccc(OCC[NH+]3CCCC3)cc2)CCCOC1 ZINC000678500200 544684495 /nfs/dbraw/zinc/68/44/95/544684495.db2.gz JFYQTSYBORLJAY-LJQANCHMSA-N 2 0 318.461 2.820 20 0 DFADRP Cc1ccc([C@H](C)[NH2+]C2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)c(C)n1 ZINC000678598084 544699078 /nfs/dbraw/zinc/69/90/78/544699078.db2.gz AASSZXOJPIYFRC-SNRMKQJTSA-N 2 0 317.477 2.727 20 0 DFADRP C[C@H]([NH2+][C@@H]1CCN(C)[C@H]1c1ccccc1)C1CC[NH+](C)CC1 ZINC000678608465 544702075 /nfs/dbraw/zinc/70/20/75/544702075.db2.gz OWZRMZZSTKXVRZ-IPELMVKDSA-N 2 0 301.478 2.752 20 0 DFADRP C[C@@H]1CCc2ccccc2[C@@H]1[NH2+]C[C@@H](O)C[NH+]1CCCCC1 ZINC000678767391 544717878 /nfs/dbraw/zinc/71/78/78/544717878.db2.gz IKVFNNPTGMAQSU-SZVBFZGTSA-N 2 0 302.462 2.746 20 0 DFADRP CCN1C[C@H](C)[C@H]([NH2+][C@H](C)c2cccc(OCC[NH+](C)C)c2)C1 ZINC000679074966 544779940 /nfs/dbraw/zinc/77/99/40/544779940.db2.gz FVYJFJJNGFSMLA-FRQCXROJSA-N 2 0 319.493 2.618 20 0 DFADRP OCC1(C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)CC1 ZINC000679395445 544848689 /nfs/dbraw/zinc/84/86/89/544848689.db2.gz XGCPXLCSUVLNIE-NNZMDNLPSA-N 2 0 300.446 2.544 20 0 DFADRP Cc1n[nH]cc1[C@@H](C)[NH2+]CCc1ccc(OCC[NH+](C)C)cc1 ZINC000679340285 544837295 /nfs/dbraw/zinc/83/72/95/544837295.db2.gz QNSHSRQTMVLTSN-CQSZACIVSA-N 2 0 316.449 2.552 20 0 DFADRP CC(C)(CO)C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000679398128 544849533 /nfs/dbraw/zinc/84/95/33/544849533.db2.gz HTUUGROONGHJSX-NNZMDNLPSA-N 2 0 302.462 2.790 20 0 DFADRP CC[NH+](CC)Cc1ccc(C(=O)N[C@H](C)C2=CC[N@H+](C)CC2)o1 ZINC000679663430 544893484 /nfs/dbraw/zinc/89/34/84/544893484.db2.gz YNPZJHZFPUPLEB-CQSZACIVSA-N 2 0 319.449 2.502 20 0 DFADRP CC(C)(CO)C[NH2+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000679720573 544905721 /nfs/dbraw/zinc/90/57/21/544905721.db2.gz CMUXHTYFFGSQOB-CEXWTWQISA-N 2 0 316.489 2.895 20 0 DFADRP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+]1CCC[C@@H](c2cc[nH]n2)C1 ZINC000680327817 544990942 /nfs/dbraw/zinc/99/09/42/544990942.db2.gz WVEJZMPQEDSVGN-OAHLLOKOSA-N 2 0 322.416 2.678 20 0 DFADRP C[NH+](C)CCOc1ccc(C[NH2+][C@]2(C)CCO[C@H]2C2CC2)cc1 ZINC000680148597 544963617 /nfs/dbraw/zinc/96/36/17/544963617.db2.gz FFXSDCGEOJXPLE-RBUKOAKNSA-N 2 0 318.461 2.674 20 0 DFADRP C[C@@H]1C[C@H](CC[NH2+]Cc2ccc(OCC[NH+](C)C)cc2)CCO1 ZINC000680142045 544963913 /nfs/dbraw/zinc/96/39/13/544963913.db2.gz QXKXRNAIVBZDKT-IAGOWNOFSA-N 2 0 320.477 2.922 20 0 DFADRP Cc1cc(N2CC[N@H+](CC(C)(C)O)[C@@H](C)C2)c2ccccc2[nH+]1 ZINC000302472569 230257691 /nfs/dbraw/zinc/25/76/91/230257691.db2.gz DECDUDPWQSBROB-HNNXBMFYSA-N 2 0 313.445 2.825 20 0 DFADRP C[NH+](C)CCC1CC[NH+](CCC(=O)Nc2cccc(F)c2)CC1 ZINC000056522136 425895531 /nfs/dbraw/zinc/89/55/31/425895531.db2.gz ALPZAULTXKGXNW-UHFFFAOYSA-N 2 0 321.440 2.818 20 0 DFADRP CC(C)[N@H+](C)CC(=O)NCc1ccccc1C[NH+]1CCCCC1 ZINC000063465151 425900663 /nfs/dbraw/zinc/90/06/63/425900663.db2.gz IYJFNVMUKOVDES-UHFFFAOYSA-N 2 0 317.477 2.629 20 0 DFADRP C[C@H]1C[NH+](CCCC[NH2+]Cc2c(F)cccc2F)C[C@H](C)O1 ZINC000067453048 425910714 /nfs/dbraw/zinc/91/07/14/425910714.db2.gz BEIWMNFKWXDUDT-KBPBESRZSA-N 2 0 312.404 2.944 20 0 DFADRP C[C@@H]1C[NH+](CCCC[NH2+]Cc2c(F)cccc2F)C[C@@H](C)O1 ZINC000067453050 425910737 /nfs/dbraw/zinc/91/07/37/425910737.db2.gz BEIWMNFKWXDUDT-ZIAGYGMSSA-N 2 0 312.404 2.944 20 0 DFADRP Cc1cc(C)cc(C[NH2+]C[C@@H](C(C)C)N2CC[NH+](C)CC2)c1 ZINC000067941875 425914828 /nfs/dbraw/zinc/91/48/28/425914828.db2.gz CYOIJFXUPFILED-IBGZPJMESA-N 2 0 303.494 2.665 20 0 DFADRP CC[NH+]1CCN([C@H](C)C[NH2+][C@H](C)c2ccc(OC)cc2F)CC1 ZINC000155578768 425921661 /nfs/dbraw/zinc/92/16/61/425921661.db2.gz HHOCTJWDZYZDKL-HUUCEWRRSA-N 2 0 323.456 2.511 20 0 DFADRP CC[NH+]1CCN([C@@H](C)C[NH2+][C@@H](Cc2ccccc2)C2CC2)CC1 ZINC000155571612 425919946 /nfs/dbraw/zinc/91/99/46/425919946.db2.gz BXEGLGPAQOONDI-PXNSSMCTSA-N 2 0 315.505 2.623 20 0 DFADRP CC[NH+]1CCC(NC(=O)C[NH+]2CCC3(CCCCC3)CC2)CC1 ZINC000102410879 425920215 /nfs/dbraw/zinc/92/02/15/425920215.db2.gz CQEUHPCPVOHDFQ-UHFFFAOYSA-N 2 0 321.509 2.633 20 0 DFADRP CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC000124487248 425922342 /nfs/dbraw/zinc/92/23/42/425922342.db2.gz ARRADPMDIJOXLM-MSOLQXFVSA-N 2 0 323.525 2.735 20 0 DFADRP CC[C@H](C)[C@H]([NH3+])C(=O)NCc1cccc(C[N@H+](C)C(C)C)c1 ZINC000155663553 425923626 /nfs/dbraw/zinc/92/36/26/425923626.db2.gz ILAPZEAUFIEXFX-YOEHRIQHSA-N 2 0 305.466 2.516 20 0 DFADRP CC[NH+](CC)CCC[C@@H](C)NC(=O)c1cccc(C[NH+](C)C)c1 ZINC000155881771 425928885 /nfs/dbraw/zinc/92/88/85/425928885.db2.gz FPYSHBNHKWMLBI-MRXNPFEDSA-N 2 0 319.493 2.989 20 0 DFADRP CC[NH+](CC)[C@H](CNC(=O)CCC1CC[NH2+]CC1)CC(C)C ZINC000155881783 425928998 /nfs/dbraw/zinc/92/89/98/425928998.db2.gz JADBHRDWXGILDY-KRWDZBQOSA-N 2 0 311.514 2.639 20 0 DFADRP C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)c1cccc(C[NH+](C)C)c1 ZINC000155921580 425929754 /nfs/dbraw/zinc/92/97/54/425929754.db2.gz GAFYSYDFSYTJDD-JKSUJKDBSA-N 2 0 317.477 2.598 20 0 DFADRP CC(C)[N@@H+]1CCCC[C@H]1C(=O)N1CCC([NH2+]C2CCCC2)CC1 ZINC000156382835 425933082 /nfs/dbraw/zinc/93/30/82/425933082.db2.gz YACARTPGUBLAPN-SFHVURJKSA-N 2 0 321.509 2.773 20 0 DFADRP C[NH+](C)CCCC[NH2+]Cc1cc(Cl)c2c(c1)OCCCO2 ZINC000045598311 425861669 /nfs/dbraw/zinc/86/16/69/425861669.db2.gz OQEJGZGLUCFTKD-UHFFFAOYSA-N 2 0 312.841 2.933 20 0 DFADRP C[N@H+](CCOc1ccc(Br)cc1)C1CC[NH2+]CC1 ZINC000036300447 425845503 /nfs/dbraw/zinc/84/55/03/425845503.db2.gz PKEDVPAKEXTRFX-UHFFFAOYSA-N 2 0 313.239 2.512 20 0 DFADRP [NH3+]C1CC[NH+](CCC(=O)Nc2cc(Cl)ccc2Cl)CC1 ZINC000036754100 425846651 /nfs/dbraw/zinc/84/66/51/425846651.db2.gz WRXHNIUCIBQTTK-UHFFFAOYSA-N 2 0 316.232 2.745 20 0 DFADRP CC(C)[NH+]1CCC(NC(=O)Nc2cccc(C[NH+](C)C)c2)CC1 ZINC000044292220 425856127 /nfs/dbraw/zinc/85/61/27/425856127.db2.gz ORLFFCJFLYQTHZ-UHFFFAOYSA-N 2 0 318.465 2.743 20 0 DFADRP C[N@@H+]1CCC[C@H](C[NH2+]Cc2cc(Br)cs2)C1 ZINC000044533887 425856952 /nfs/dbraw/zinc/85/69/52/425856952.db2.gz SFLGFLZBZCAEDO-SNVBAGLBSA-N 2 0 303.269 2.942 20 0 DFADRP Cc1ccccc1C[C@H](CO)[NH2+]C1CC[NH+](C(C)(C)C)CC1 ZINC000191566253 268004925 /nfs/dbraw/zinc/00/49/25/268004925.db2.gz FDSOYBXVMDFZIV-GOSISDBHSA-N 2 0 304.478 2.751 20 0 DFADRP C[NH+](C)[C@H](CNC(=O)C[NH2+][C@@H]1CCCC1(C)C)c1ccccc1 ZINC000191852496 268016808 /nfs/dbraw/zinc/01/68/08/268016808.db2.gz MQKUJQSHVGOYTC-IAGOWNOFSA-N 2 0 317.477 2.574 20 0 DFADRP CC[NH+](CC)Cc1ccc(C(=O)NCC[N@@H+]2CCC[C@@H](C)C2)o1 ZINC000046879647 425866768 /nfs/dbraw/zinc/86/67/68/425866768.db2.gz LTEABTJHQZHYBF-OAHLLOKOSA-N 2 0 321.465 2.583 20 0 DFADRP CN(C)CC[NH+]1CCC(C[NH2+][C@H]2CCCc3occc32)CC1 ZINC000192829322 268049696 /nfs/dbraw/zinc/04/96/96/268049696.db2.gz RXISFJWMYNUJBR-KRWDZBQOSA-N 2 0 305.466 2.520 20 0 DFADRP CC[C@H](C)NC(=O)[C@H](C)[NH2+]Cc1cccc(C[NH+](CC)CC)c1 ZINC000194047577 268089039 /nfs/dbraw/zinc/08/90/39/268089039.db2.gz ATUAIUSARGAFPG-HOTGVXAUSA-N 2 0 319.493 2.921 20 0 DFADRP CC[NH+]1CCC([NH2+]C[C@H](C)CN(C)C(=O)OC(C)(C)C)CC1 ZINC000223447464 268141776 /nfs/dbraw/zinc/14/17/76/268141776.db2.gz NUMJTMHJUJUETO-AWEZNQCLSA-N 2 0 313.486 2.563 20 0 DFADRP CN1CCC[C@@H]1C[NH2+][C@@H]1CCC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000226017578 268143518 /nfs/dbraw/zinc/14/35/18/268143518.db2.gz NAPAYJAULFUVQT-RBSFLKMASA-N 2 0 311.470 2.506 20 0 DFADRP CCCC[NH+]1CCC(NC(=O)[C@@H]2CCCCCC[C@@H]2[NH3+])CC1 ZINC000236758128 268150561 /nfs/dbraw/zinc/15/05/61/268150561.db2.gz UITVZAULTHPFFV-SJORKVTESA-N 2 0 309.498 2.665 20 0 DFADRP Cc1cc(C)c(NC(=O)[C@@H](C)[NH+]2CCC(C[NH3+])CC2)c(C)c1 ZINC000260405735 268168966 /nfs/dbraw/zinc/16/89/66/268168966.db2.gz FUQOVHBGRSYRKZ-OAHLLOKOSA-N 2 0 303.450 2.610 20 0 DFADRP C[C@@H]([NH2+]CCc1ccncc1)c1ccc(OCC[NH+](C)C)cc1 ZINC000269030935 268188339 /nfs/dbraw/zinc/18/83/39/268188339.db2.gz UKYJINBSPLNBKD-MRXNPFEDSA-N 2 0 313.445 2.915 20 0 DFADRP C[C@H]1CN([C@@H]2CC[NH+](Cc3ccccc3)C2)CC[N@@H+](C2CC2)C1 ZINC000298083748 268312831 /nfs/dbraw/zinc/31/28/31/268312831.db2.gz MEIYIVKJVPAAQU-YLJYHZDGSA-N 2 0 313.489 2.677 20 0 DFADRP FC(F)(F)COCCC[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000157272330 425938120 /nfs/dbraw/zinc/93/81/20/425938120.db2.gz MVHOMUUMJZCJSP-AWEZNQCLSA-N 2 0 308.388 2.906 20 0 DFADRP CCC[NH+]1CCC([NH2+][C@@H](C)[C@@H](C)NC(=O)OC(C)(C)C)CC1 ZINC000309834704 268336129 /nfs/dbraw/zinc/33/61/29/268336129.db2.gz UDHWQCYTFAPAMZ-UONOGXRCSA-N 2 0 313.486 2.752 20 0 DFADRP C[NH+]1CCN(CCC[NH2+]Cc2cc(Cl)sc2Cl)CC1 ZINC000312687563 268337957 /nfs/dbraw/zinc/33/79/57/268337957.db2.gz UQVMYWBOMBAUDS-UHFFFAOYSA-N 2 0 322.305 2.782 20 0 DFADRP Cn1cnc(CC[NH2+]Cc2cccc(Br)c2F)c1 ZINC000313309713 268339417 /nfs/dbraw/zinc/33/94/17/268339417.db2.gz WFLOKTXPJLXHQS-UHFFFAOYSA-N 2 0 312.186 2.654 20 0 DFADRP Cc1cc(Br)ccc1C[NH2+]CCc1cn(C)cn1 ZINC000313277347 268339420 /nfs/dbraw/zinc/33/94/20/268339420.db2.gz DNCWGRRVSDVSLD-UHFFFAOYSA-N 2 0 308.223 2.823 20 0 DFADRP Cn1cnc(CC[NH2+]Cc2cccc(F)c2Br)c1 ZINC000313270315 268339455 /nfs/dbraw/zinc/33/94/55/268339455.db2.gz MUXSACPAIZSXEE-UHFFFAOYSA-N 2 0 312.186 2.654 20 0 DFADRP Cc1nn(-c2ccccc2)c(C)c1C[NH2+]CCc1cn(C)cn1 ZINC000313288492 268339795 /nfs/dbraw/zinc/33/97/95/268339795.db2.gz YVYXVEPAMWNJRH-UHFFFAOYSA-N 2 0 309.417 2.555 20 0 DFADRP Cc1ccc(NC(=O)C[N@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)cc1Cl ZINC000320836811 268348322 /nfs/dbraw/zinc/34/83/22/268348322.db2.gz GKVCHCIOYRMRAQ-OKILXGFUSA-N 2 0 321.852 2.518 20 0 DFADRP c1ccc2c(c1)CCN2CCC[NH2+][C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000321004982 268348539 /nfs/dbraw/zinc/34/85/39/268348539.db2.gz RDXMDBFMWFKFJL-GUDVDZBRSA-N 2 0 313.489 2.950 20 0 DFADRP CC(C)CCC[C@H](C)NC(=O)C[NH+]1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000321585247 268348900 /nfs/dbraw/zinc/34/89/00/268348900.db2.gz IOQDGFLLDZXNTO-WMZOPIPTSA-N 2 0 323.525 2.781 20 0 DFADRP CC[NH2+]CC1CC[NH+](Cc2cc3c(cc2OC)C[C@@H](C)O3)CC1 ZINC000322857581 268349247 /nfs/dbraw/zinc/34/92/47/268349247.db2.gz SXWNLRVYHIJRAV-CQSZACIVSA-N 2 0 318.461 2.840 20 0 DFADRP CC[NH2+]CC1CC[NH+](Cc2cc3c(cc2OC)C[C@H](C)O3)CC1 ZINC000322857579 268349462 /nfs/dbraw/zinc/34/94/62/268349462.db2.gz SXWNLRVYHIJRAV-AWEZNQCLSA-N 2 0 318.461 2.840 20 0 DFADRP CON1CCC([NH2+][C@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000323476839 268350100 /nfs/dbraw/zinc/35/01/00/268350100.db2.gz KZSOUEYSDCWUHY-AEFFLSMTSA-N 2 0 317.477 2.512 20 0 DFADRP C[C@H]1C[C@@H](C[N@@H+]2CCCN(Cc3ccccc3)CC2)CC[NH2+]1 ZINC000323764752 268350349 /nfs/dbraw/zinc/35/03/49/268350349.db2.gz XBJLYDWDPCLYJV-HKUYNNGSSA-N 2 0 301.478 2.582 20 0 DFADRP CC[C@@H](C(=O)NC[C@@H](c1ccsc1)[NH+](CC)CC)[NH+](C)C ZINC000124790231 425938858 /nfs/dbraw/zinc/93/88/58/425938858.db2.gz MNWOXFUCLJDKOC-GJZGRUSLSA-N 2 0 311.495 2.587 20 0 DFADRP COCc1ccc(C[NH2+]Cc2ccc(OCC[NH+](C)C)cc2)o1 ZINC000125639303 425983761 /nfs/dbraw/zinc/98/37/61/425983761.db2.gz HBHPOMIRGMCCGL-UHFFFAOYSA-N 2 0 318.417 2.656 20 0 DFADRP Cn1cncc1C[NH2+]CC1CC[NH+](Cc2ccccc2F)CC1 ZINC000107318886 425988981 /nfs/dbraw/zinc/98/89/81/425988981.db2.gz GMADZAALNSCQKI-UHFFFAOYSA-N 2 0 316.424 2.561 20 0 DFADRP [NH3+][C@H]1C[C@@H](NCC2([NH3+])C3CC4CC(C3)CC2C4)c2ccccc21 ZINC000333758391 268415868 /nfs/dbraw/zinc/41/58/68/268415868.db2.gz AEAQGAZLFNIONQ-UCJSBBOVSA-N 2 0 311.473 2.874 20 0 DFADRP CC[C@@H](C(=O)Nc1ccc(CC[NH+]2CCCC2)cc1)[NH+](C)C ZINC000124945194 425946989 /nfs/dbraw/zinc/94/69/89/425946989.db2.gz GKPNLGBPAZGLID-KRWDZBQOSA-N 2 0 303.450 2.604 20 0 DFADRP COC(=O)CCC[NH+]1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000158844159 425948270 /nfs/dbraw/zinc/94/82/70/425948270.db2.gz HJIPAXNXWIRLRU-INIZCTEOSA-N 2 0 310.482 2.916 20 0 DFADRP C[C@@H]1CCCC[N@@H+]1CCC1CC[NH+](Cc2cncn2C)CC1 ZINC000158883767 425949358 /nfs/dbraw/zinc/94/93/58/425949358.db2.gz TXLWWDHGRXKQFP-MRXNPFEDSA-N 2 0 304.482 2.897 20 0 DFADRP CC[C@H](C(=O)NC[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1)[NH+](C)C ZINC000158971310 425951379 /nfs/dbraw/zinc/95/13/79/425951379.db2.gz WTTBMLOZKOXUAE-LZWOXQAQSA-N 2 0 323.506 2.587 20 0 DFADRP CCc1cc(N2CC[NH+](C[C@H](O)CC)CC2)c2ccccc2[nH+]1 ZINC000125268066 425962191 /nfs/dbraw/zinc/96/21/91/425962191.db2.gz LAPYEORUPTZOAT-MRXNPFEDSA-N 2 0 313.445 2.690 20 0 DFADRP C[NH+](C)CCC[NH2+][C@@H]1CCc2cc(Br)ccc2C1 ZINC000104358092 425964077 /nfs/dbraw/zinc/96/40/77/425964077.db2.gz HGJNHTAJJLTQQL-OAHLLOKOSA-N 2 0 311.267 2.848 20 0 DFADRP C[C@@H]([NH2+]CCC[NH+](C)C)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000105782780 425969392 /nfs/dbraw/zinc/96/93/92/425969392.db2.gz VNFXWDGFQXMTKM-CABCVRRESA-N 2 0 313.486 2.563 20 0 DFADRP Cc1nc(CCN2CCN(c3cc(C)ccn3)CC2)cs1 ZINC000125561179 425979567 /nfs/dbraw/zinc/97/95/67/425979567.db2.gz ASZLDMHSVABGLD-UHFFFAOYSA-N 2 0 302.447 2.520 20 0 DFADRP Cc1cn2c(n1)CC[C@@H](N[C@@H](c1ncc[nH]1)c1ccccc1)C2 ZINC000126523242 426024105 /nfs/dbraw/zinc/02/41/05/426024105.db2.gz FDAPCTPSSSNSRT-NVXWUHKLSA-N 2 0 307.401 2.609 20 0 DFADRP Cc1cn2c(n1)CC[C@H](N[C@H](c1ncc[nH]1)c1ccccc1)C2 ZINC000126522745 426024572 /nfs/dbraw/zinc/02/45/72/426024572.db2.gz FDAPCTPSSSNSRT-RDJZCZTQSA-N 2 0 307.401 2.609 20 0 DFADRP CC[C@H](O)C[NH+]1CCN(c2cc(C)[nH+]c3ccc(F)cc32)CC1 ZINC000126632496 426029335 /nfs/dbraw/zinc/02/93/35/426029335.db2.gz PGTGTMBYAHSUAC-HNNXBMFYSA-N 2 0 317.408 2.575 20 0 DFADRP CCC[C@@H](C(=O)NCc1ccccc1C[N@H+](C)C(C)C)[NH+](C)C ZINC000161611972 426032255 /nfs/dbraw/zinc/03/22/55/426032255.db2.gz IVYOYCGLSIBJEK-SFHVURJKSA-N 2 0 319.493 2.873 20 0 DFADRP CC[C@H](COC)[NH2+][C@H](C)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000126755666 426035040 /nfs/dbraw/zinc/03/50/40/426035040.db2.gz LYYGCOWUERSDQZ-GDBMZVCRSA-N 2 0 323.456 2.653 20 0 DFADRP C(C1CCCC1)[NH+]1CCC([NH2+]C2CCC3(CC2)OCCO3)CC1 ZINC000161747475 426038062 /nfs/dbraw/zinc/03/80/62/426038062.db2.gz YJYQEVVANVIUBO-UHFFFAOYSA-N 2 0 322.493 2.916 20 0 DFADRP CCC[C@H](C(=O)NC[C@@H](c1ccco1)[NH+](CC)CC)[NH+](C)C ZINC000161805763 426040491 /nfs/dbraw/zinc/04/04/91/426040491.db2.gz LUWGXJUDMGFAGV-CABCVRRESA-N 2 0 309.454 2.509 20 0 DFADRP CC1CC[NH+](C[C@@H]2CCCN(CC[C@@H]3CCC[N@@H+]3C)C2)CC1 ZINC000161901772 426045155 /nfs/dbraw/zinc/04/51/55/426045155.db2.gz YIBRKOWHOUOLHQ-MOPGFXCFSA-N 2 0 307.526 2.915 20 0 DFADRP c1nnc([C@@H]2CCCN(CCC[NH+]3CCCCC3)C2)n1C1CC1 ZINC000161960445 426047004 /nfs/dbraw/zinc/04/70/04/426047004.db2.gz VBNFSIUXJLHLQZ-MRXNPFEDSA-N 2 0 317.481 2.668 20 0 DFADRP Cc1nccn1CCCC[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000161979910 426048191 /nfs/dbraw/zinc/04/81/91/426048191.db2.gz BHSMQNZZOFSJLO-GOSISDBHSA-N 2 0 304.482 2.922 20 0 DFADRP CCC[C@H]([NH2+]C[C@H](C)N1CC[NH+](C)CC1)c1ccc(OC)cc1 ZINC000127373668 426063879 /nfs/dbraw/zinc/06/38/79/426063879.db2.gz APUCUEAGBSLWLT-LPHOPBHVSA-N 2 0 319.493 2.762 20 0 DFADRP C[C@H](C[NH2+][C@H](C)c1ccc(Cl)s1)N1CC[NH+](C)CC1 ZINC000127419209 426066202 /nfs/dbraw/zinc/06/62/02/426066202.db2.gz HVOZUIMGZHBMKB-VXGBXAGGSA-N 2 0 301.887 2.688 20 0 DFADRP CC[C@@H]([NH2+]Cc1cccc(OCC[NH+](C)C)c1)c1cnn(C)c1 ZINC000162534434 426068380 /nfs/dbraw/zinc/06/83/80/426068380.db2.gz LAVMJAUKTVZONB-GOSISDBHSA-N 2 0 316.449 2.601 20 0 DFADRP CCC[NH+]1CCC(N[C@H](C)C[N@H+](C)Cc2ccccc2)CC1 ZINC000126326788 426014947 /nfs/dbraw/zinc/01/49/47/426014947.db2.gz FTEAMVZNFOZNKV-QGZVFWFLSA-N 2 0 303.494 2.971 20 0 DFADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+]C[C@@H](C)c2ccc(F)cc2)CC1 ZINC000127872732 426091435 /nfs/dbraw/zinc/09/14/35/426091435.db2.gz ILFRLTRMXUXMQQ-DLBZAZTESA-N 2 0 321.484 2.792 20 0 DFADRP C[C@@H]([NH3+])[C@@H]1CCN(Cc2cc(Br)ccc2F)C1 ZINC000163207501 426092188 /nfs/dbraw/zinc/09/21/88/426092188.db2.gz KMXHFMFJOCAUNS-NXEZZACHSA-N 2 0 301.203 2.757 20 0 DFADRP CC[N@@H+]1CC[C@@H](C[NH2+][C@@H]2CCCOc3ccc(OC)cc32)C1 ZINC000163223504 426093127 /nfs/dbraw/zinc/09/31/27/426093127.db2.gz DZPXPUAGGRHCAQ-WMLDXEAASA-N 2 0 304.434 2.840 20 0 DFADRP Cc1nccn1CCC[N@@H+]1CC[C@H](CNc2cccc(C)n2)C1 ZINC000163461514 426100322 /nfs/dbraw/zinc/10/03/22/426100322.db2.gz XRTAKXWBDZGJEQ-QGZVFWFLSA-N 2 0 313.449 2.719 20 0 DFADRP C[C@H]([NH2+]CCN1CCCCC1)c1cccc(OCC[NH+](C)C)c1 ZINC000128233186 426107984 /nfs/dbraw/zinc/10/79/84/426107984.db2.gz PMFYXOKXILKDGU-KRWDZBQOSA-N 2 0 319.493 2.764 20 0 DFADRP C[C@@H]1C[C@H]([NH2+]CC(C)(C)NC(=O)OC(C)(C)C)CN1C1CC1 ZINC000164099374 426111609 /nfs/dbraw/zinc/11/16/09/426111609.db2.gz YXYBEJDCWQNWPJ-OLZOCXBDSA-N 2 0 311.470 2.505 20 0 DFADRP CC(C)[C@H]([NH3+])CC[N@H+](C)CCC(=O)Nc1ccccc1Cl ZINC000128471943 426119095 /nfs/dbraw/zinc/11/90/95/426119095.db2.gz OBFSIZCQEHKSOW-CQSZACIVSA-N 2 0 311.857 2.974 20 0 DFADRP CC[N@H+](Cc1ccc(C(=O)N[C@@H]2CCCC[C@H]2[NH3+])cc1)C(C)C ZINC000128497569 426120761 /nfs/dbraw/zinc/12/07/61/426120761.db2.gz CJDLJJTYTNMXTJ-QZTJIDSGSA-N 2 0 317.477 2.917 20 0 DFADRP CC1CC[NH+](C[C@@H]2CCCN(CC[NH+]3CCCCC3)C2)CC1 ZINC000077173388 426121505 /nfs/dbraw/zinc/12/15/05/426121505.db2.gz JGYFFKWWPDWDJV-LJQANCHMSA-N 2 0 307.526 2.916 20 0 DFADRP CC[C@H]([NH2+]C[C@@H]1CC[N@H+](CCc2ccccc2)C1)[C@H]1CCOC1 ZINC000165330305 426121892 /nfs/dbraw/zinc/12/18/92/426121892.db2.gz IYWKNFMDDTWMDR-UFYCRDLUSA-N 2 0 316.489 2.956 20 0 DFADRP C[C@H]([NH2+]C[C@@H]1CC[N@H+](CCc2ccccc2)C1)[C@H]1CCOC1 ZINC000165299021 426121925 /nfs/dbraw/zinc/12/19/25/426121925.db2.gz NADBBPJWJOTMEA-WDSOQIARSA-N 2 0 302.462 2.566 20 0 DFADRP COC[C@H]([NH2+]C[C@H]1CC[N@H+](CCc2ccccc2)C1)C(C)C ZINC000165329925 426122584 /nfs/dbraw/zinc/12/25/84/426122584.db2.gz IDLCDQKPUQEHLV-MOPGFXCFSA-N 2 0 304.478 2.812 20 0 DFADRP CC(=O)Nc1ccc(CC[NH2+][C@H]2C[C@@H](C)[N@@H+](C)C[C@H]2C)cc1 ZINC000165629179 426123363 /nfs/dbraw/zinc/12/33/63/426123363.db2.gz JCWOKPLSMXLYPS-LBTNJELSSA-N 2 0 303.450 2.506 20 0 DFADRP CC[N@@H+]1CC[C@@H]([NH2+][C@@H](C)c2ccc(NC(N)=O)cc2)[C@H](C)C1 ZINC000165416605 426123613 /nfs/dbraw/zinc/12/36/13/426123613.db2.gz GELXSTLMFXDLPQ-DVOMOZLQSA-N 2 0 304.438 2.558 20 0 DFADRP CCC[C@@H]([NH3+])C(=O)NC[C@@H](c1ccccc1)[NH+]1CCC(C)CC1 ZINC000165725591 426124243 /nfs/dbraw/zinc/12/42/43/426124243.db2.gz KLBLKSHJSDOZAL-MSOLQXFVSA-N 2 0 317.477 2.703 20 0 DFADRP CCC(CC)C(=O)N1CCC([NH2+][C@H]2CC[N@H+](CC)C[C@@H]2C)CC1 ZINC000166047265 426126317 /nfs/dbraw/zinc/12/63/17/426126317.db2.gz VQKMTFKOQQYMSW-YJBOKZPZSA-N 2 0 323.525 2.734 20 0 DFADRP CC(C)[N@H+](C)Cc1cccc(CNC(=O)[C@H]2CCC[C@H]([NH3+])C2)c1 ZINC000165998202 426126392 /nfs/dbraw/zinc/12/63/92/426126392.db2.gz QNPQXRZLTSXLGX-ROUUACIJSA-N 2 0 317.477 2.661 20 0 DFADRP C[C@@H]1Cc2ccc(F)cc2[C@H]1[NH2+]CCCN1CCC[N@H+](C)CC1 ZINC000128720305 426130744 /nfs/dbraw/zinc/13/07/44/426130744.db2.gz ATSNCFSQZYBDEL-BEFAXECRSA-N 2 0 319.468 2.676 20 0 DFADRP C[C@H](C(=O)N[C@H](C[NH+](C)C)c1ccccc1)[NH+]1CCCCCC1 ZINC000114227389 426130798 /nfs/dbraw/zinc/13/07/98/426130798.db2.gz LEOBCSVKPRILAK-SJLPKXTDSA-N 2 0 317.477 2.670 20 0 DFADRP CC(C)Oc1ccc([C@H](C)[NH2+]C[C@H](C)N2CC[NH+](C)CC2)cc1 ZINC000127668791 426078605 /nfs/dbraw/zinc/07/86/05/426078605.db2.gz YPWCNZZKJGALAG-IRXDYDNUSA-N 2 0 319.493 2.760 20 0 DFADRP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]Cc1ccc(C[NH+]2CCCC2)cc1 ZINC000162917918 426083041 /nfs/dbraw/zinc/08/30/41/426083041.db2.gz PUODEXNYOHJQKR-APWZRJJASA-N 2 0 301.478 2.712 20 0 DFADRP COCCOc1cccc(C[NH2+][C@@H]2C[C@H](C)[N@H+](C)C[C@H]2C)c1 ZINC000163005645 426086094 /nfs/dbraw/zinc/08/60/94/426086094.db2.gz SLACMWFQAIPPME-RVKKMQEKSA-N 2 0 306.450 2.530 20 0 DFADRP C[NH+]1CCN(CCC[NH2+][C@@H]2CC[C@H](c3ccccc3)C2)CC1 ZINC000130318032 426154237 /nfs/dbraw/zinc/15/42/37/426154237.db2.gz KDYXZXYMPPIJFG-RBUKOAKNSA-N 2 0 301.478 2.550 20 0 DFADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]CCc1cnn(-c2ccccc2)c1 ZINC000130389847 426157570 /nfs/dbraw/zinc/15/75/70/426157570.db2.gz NCNNQFPUIAGKBY-MDZRGWNJSA-N 2 0 312.461 2.733 20 0 DFADRP C[C@H]1C[C@@H]([NH3+])CC[N@@H+]1CCOc1cccc(Br)c1 ZINC000131891096 426167467 /nfs/dbraw/zinc/16/74/67/426167467.db2.gz RJDULYZQLAYLKZ-AAEUAGOBSA-N 2 0 313.239 2.640 20 0 DFADRP C[C@@H]1C[C@H](NC[C@@H](c2ccccc2)[NH+]2CCCC2)CC[N@@H+]1C ZINC000134068224 426185327 /nfs/dbraw/zinc/18/53/27/426185327.db2.gz JRHBUOZBHDNCLJ-QRQLOZEOSA-N 2 0 301.478 2.896 20 0 DFADRP CCCCNC(=O)CC[N@@H+]1CCC[C@@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000116281095 426186792 /nfs/dbraw/zinc/18/67/92/426186792.db2.gz YATPUHLHCDPHJX-ZWKOTPCHSA-N 2 0 323.525 2.879 20 0 DFADRP CCCCNC(=O)CC[N@@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000116392543 426188968 /nfs/dbraw/zinc/18/89/68/426188968.db2.gz DXVKKPWTNSPWEV-SFHVURJKSA-N 2 0 323.525 2.881 20 0 DFADRP C[NH+]1CCC(CC[NH2+]Cc2cn3cc(Cl)ccc3n2)CC1 ZINC000134605230 426190229 /nfs/dbraw/zinc/19/02/29/426190229.db2.gz ULUYMRJVXLVKTA-UHFFFAOYSA-N 2 0 306.841 2.809 20 0 DFADRP CC[N@@H+]1CC[C@@H]([NH+](C)CCc2ccc3c(c2)CCO3)[C@H](C)C1 ZINC000079461952 426193494 /nfs/dbraw/zinc/19/34/94/426193494.db2.gz HIQJSEDGURJEEI-CRAIPNDOSA-N 2 0 302.462 2.826 20 0 DFADRP COC(=O)c1occc1CN1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000134890894 426198558 /nfs/dbraw/zinc/19/85/58/426198558.db2.gz RMVITOPZMMRGHS-CJNGLKHVSA-N 2 0 318.417 2.515 20 0 DFADRP CC[N@@H+]1CC[C@@H]([NH+](C)CCC(=O)Nc2ccccc2F)[C@H](C)C1 ZINC000081095521 426219767 /nfs/dbraw/zinc/21/97/67/426219767.db2.gz NBWNCCSMPUGYJC-RHSMWYFYSA-N 2 0 321.440 2.816 20 0 DFADRP CCCC[NH+]1CCC(NC(=O)[C@@H](C)[NH+]2CCCCCC2)CC1 ZINC000118780867 426244224 /nfs/dbraw/zinc/24/42/24/426244224.db2.gz OLJGBZCXOWPGJT-MRXNPFEDSA-N 2 0 309.498 2.632 20 0 DFADRP Cc1cc(C)cc(NC(=O)C[NH+]2CCC(CC[NH+](C)C)CC2)c1 ZINC000118868428 426249750 /nfs/dbraw/zinc/24/97/50/426249750.db2.gz GFXBSBITOLIRBW-UHFFFAOYSA-N 2 0 317.477 2.906 20 0 DFADRP CC[N@@H+]1CC[C@@H](NC[C@@H](c2ccc(C)cc2)[NH+](C)C)[C@H](C)C1 ZINC000118962614 426251920 /nfs/dbraw/zinc/25/19/20/426251920.db2.gz PQIPJPJESQSSIA-QRQLOZEOSA-N 2 0 303.494 2.918 20 0 DFADRP C[N@@H+](Cc1ccc(Br)s1)CC1CC[NH2+]CC1 ZINC000086701756 426259827 /nfs/dbraw/zinc/25/98/27/426259827.db2.gz PCCYESYQLYLALN-UHFFFAOYSA-N 2 0 303.269 2.942 20 0 DFADRP C[C@@H](c1cccc(F)c1)[N@@H+]1CCCC[C@H](N2CCN(C)CC2)C1 ZINC000174903523 426268001 /nfs/dbraw/zinc/26/80/01/426268001.db2.gz NHEWQIQGCLMXTQ-LPHOPBHVSA-N 2 0 319.468 2.989 20 0 DFADRP CCC[N@H+](C)C[C@H]1CC[NH+](CCC(=O)Nc2cccc(F)c2)C1 ZINC000174961430 426270889 /nfs/dbraw/zinc/27/08/89/426270889.db2.gz PYVPQBQBZSPXGN-OAHLLOKOSA-N 2 0 321.440 2.818 20 0 DFADRP C[C@@H]1C[NH+](CCCC[NH2+]Cc2cccnc2Cl)C[C@@H](C)O1 ZINC000171763443 426210684 /nfs/dbraw/zinc/21/06/84/426210684.db2.gz AJBMMSAVLZNHQC-ZIAGYGMSSA-N 2 0 311.857 2.714 20 0 DFADRP C[C@@H]1CCCC[N@@H+]1CCC1CC[NH+]([C@@H]2CCCCNC2=O)CC1 ZINC000119444225 426288541 /nfs/dbraw/zinc/28/85/41/426288541.db2.gz JTFUWGZYRICGLO-SJLPKXTDSA-N 2 0 321.509 2.632 20 0 DFADRP COc1ccc([C@H](C)[C@@H](C)[NH2+]C[C@H](O)C[NH+]2CCCCC2)cc1 ZINC000151308237 426289723 /nfs/dbraw/zinc/28/97/23/426289723.db2.gz ZGFUVJPGZSBLNA-NUJGCVRESA-N 2 0 320.477 2.624 20 0 DFADRP C[C@@H]([NH2+]CCc1ccccn1)c1ccc(OCC[NH+](C)C)cc1 ZINC000151382125 426292158 /nfs/dbraw/zinc/29/21/58/426292158.db2.gz IQHQDYFDBPUQFH-MRXNPFEDSA-N 2 0 313.445 2.915 20 0 DFADRP CC(C)(C)OC(=O)[C@H]1CCCN(CCC[NH+]2CCCCC2)C1 ZINC000119513756 426293371 /nfs/dbraw/zinc/29/33/71/426293371.db2.gz CPVOSVUPNQEYGC-INIZCTEOSA-N 2 0 310.482 2.916 20 0 DFADRP C[C@H]([NH2+][C@H]1CCN(Cc2ccccc2)C[C@H]1C)[C@@H]1CCOC1 ZINC000119600647 426299931 /nfs/dbraw/zinc/29/99/31/426299931.db2.gz AHSBVDMFGBCSNF-JFRXWTBNSA-N 2 0 302.462 2.912 20 0 DFADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1N[C@@H]1CC[NH+]2CCC[C@@H]2C1 ZINC000151559733 426302151 /nfs/dbraw/zinc/30/21/51/426302151.db2.gz LQORDIONKPNZNO-AFYVEPGGSA-N 2 0 313.489 2.723 20 0 DFADRP C[C@H]1CCc2c(F)cccc2[C@@H]1[NH2+]CC1CC[NH+](CCO)CC1 ZINC000151794725 426312096 /nfs/dbraw/zinc/31/20/96/426312096.db2.gz JUZIMCFZYMWCPH-IFXJQAMLSA-N 2 0 320.452 2.743 20 0 DFADRP CC(C)c1ccc([C@H]([NH3+])CNC(=O)[C@H](C(C)C)[NH+](C)C)cc1 ZINC000151943995 426319949 /nfs/dbraw/zinc/31/99/49/426319949.db2.gz NETFAILIECMIIS-SJORKVTESA-N 2 0 305.466 2.512 20 0 DFADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1NC1CC[NH+](Cc2ccccc2)CC1 ZINC000121234301 426327867 /nfs/dbraw/zinc/32/78/67/426327867.db2.gz WOVZUGXDNJEFTM-MBOZVWFJSA-N 2 0 315.505 2.969 20 0 DFADRP COCCCOc1cccc(C[NH2+][C@@H]2C[C@H](C)[N@H+](C)C[C@H]2C)c1 ZINC000090719027 426330774 /nfs/dbraw/zinc/33/07/74/426330774.db2.gz OFWMLPAHEWCJLQ-JTDSTZFVSA-N 2 0 320.477 2.920 20 0 DFADRP C[C@@H]1C[C@H]([NH2+]CCc2nc(C(F)(F)F)cs2)CC[N@@H+]1C ZINC000152192747 426331442 /nfs/dbraw/zinc/33/14/42/426331442.db2.gz GEFFGBOPBIWHRA-NXEZZACHSA-N 2 0 307.385 2.777 20 0 DFADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]C[C@H](O)c1ccc(Cl)c(F)c1 ZINC000090936169 426333697 /nfs/dbraw/zinc/33/36/97/426333697.db2.gz XNHRWXMRJZXOPD-XYPYXGAPSA-N 2 0 314.832 2.831 20 0 DFADRP CCC[N@@H+]1CC[C@@H](C[NH2+][C@@H](C)c2ccc([S@](C)=O)cc2)C1 ZINC000151124346 426279912 /nfs/dbraw/zinc/27/99/12/426279912.db2.gz HXBYOIBAEXOJHZ-VFCRVFHLSA-N 2 0 308.491 2.807 20 0 DFADRP CC[C@@H]([NH2+]CC1CCN(c2cc[nH+]cc2)CC1)c1cnn(C)c1 ZINC000089214881 426282810 /nfs/dbraw/zinc/28/28/10/426282810.db2.gz IQZMKTXTSLOAIK-GOSISDBHSA-N 2 0 313.449 2.772 20 0 DFADRP CC(=O)Nc1cccc([C@H](C)[NH2+]C2CCN(C3CC3)CC2)c1 ZINC000122841606 426396855 /nfs/dbraw/zinc/39/68/55/426396855.db2.gz HYOQLNSBYMOWKP-ZDUSSCGKSA-N 2 0 301.434 2.922 20 0 DFADRP C[C@H](c1cccc(Cl)c1)[N@H+](C)CCCN1CC[NH+](C)CC1 ZINC000122854405 426398850 /nfs/dbraw/zinc/39/88/50/426398850.db2.gz GHEVZTBVFOPLCI-OAHLLOKOSA-N 2 0 309.885 2.970 20 0 DFADRP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]C[C@@H]1CCN(c2ccc(F)cc2)C1 ZINC000152786787 426354058 /nfs/dbraw/zinc/35/40/58/426354058.db2.gz YBSXRQJSDVCFQR-VKJFTORMSA-N 2 0 305.441 2.582 20 0 DFADRP O=C(C[NH+]1CCC(CCC[NH+]2CCCC2)CC1)NC1CCCC1 ZINC000122153800 426360822 /nfs/dbraw/zinc/36/08/22/426360822.db2.gz IWLAVSHSVHUNFH-UHFFFAOYSA-N 2 0 321.509 2.633 20 0 DFADRP CC[C@H](C[NH2+][C@@H](C)c1cnn(C)c1)N1CCc2ccccc2C1 ZINC000123106475 426414286 /nfs/dbraw/zinc/41/42/86/426414286.db2.gz JLXALQDSEDDKBX-HNAYVOBHSA-N 2 0 312.461 2.908 20 0 DFADRP CC[C@H](C[NH2+][C@H](COC)C1CC1)N1CCc2ccccc2C1 ZINC000123139864 426416588 /nfs/dbraw/zinc/41/65/88/426416588.db2.gz UBRXXFCQYAFAGS-RTBURBONSA-N 2 0 302.462 2.838 20 0 DFADRP C[C@@H](C[NH2+][C@H]1CCN([C@@H](C)c2ccccc2)C1)Cn1ccnc1 ZINC000176836093 426418315 /nfs/dbraw/zinc/41/83/15/426418315.db2.gz NWNKPACZZLVITA-LNLFQRSKSA-N 3 0 312.461 2.944 20 0 DFADRP COC[C@@H](C)C[NH2+][C@@H](C)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000123184049 426419136 /nfs/dbraw/zinc/41/91/36/426419136.db2.gz QWQKDDIWYNZLDB-GJZGRUSLSA-N 2 0 323.456 2.511 20 0 DFADRP C[N@H+](CCC[NH3+])CCOc1ccc(Cl)cc1Br ZINC000123302165 426426830 /nfs/dbraw/zinc/42/68/30/426426830.db2.gz QVDCWSVHRRDEJZ-UHFFFAOYSA-N 2 0 321.646 2.762 20 0 DFADRP Cn1cc(C[NH2+]C2CCC([N@H+](C)Cc3ccccc3)CC2)cn1 ZINC000340463812 268977965 /nfs/dbraw/zinc/97/79/65/268977965.db2.gz DJUAGFRDKIGPIW-UHFFFAOYSA-N 2 0 312.461 2.953 20 0 DFADRP C[C@H]1C[C@H](C)CN(C(=O)C[NH+]2CCC(CCC[NH+](C)C)CC2)C1 ZINC000123387827 426430405 /nfs/dbraw/zinc/43/04/05/426430405.db2.gz FZSIHRRFVXUAHJ-IRXDYDNUSA-N 2 0 323.525 2.545 20 0 DFADRP CC[NH+]1CCN(CCC[NH2+][C@@H](C)c2ccc(OC)c(F)c2)CC1 ZINC000154251307 426432659 /nfs/dbraw/zinc/43/26/59/426432659.db2.gz MGPJJMNLXRTRJA-HNNXBMFYSA-N 2 0 323.456 2.513 20 0 DFADRP CC[NH+]1CCN(CCC[NH2+][C@@H](C)c2cc(F)cc(F)c2)CC1 ZINC000154282856 426433985 /nfs/dbraw/zinc/43/39/85/426433985.db2.gz QZRSOVXZNRGLRN-AWEZNQCLSA-N 2 0 311.420 2.643 20 0 DFADRP CC[NH+]1CCN(CCC[NH2+][C@@H]2CCc3cc(Cl)ccc32)CC1 ZINC000154315452 426436109 /nfs/dbraw/zinc/43/61/09/426436109.db2.gz ZSTJAFBNLUSOSD-GOSISDBHSA-N 2 0 321.896 2.945 20 0 DFADRP C[C@H]1C[C@@H]([NH2+]Cc2cc(N(C)C)nc3ccccc23)CC[N@@H+]1C ZINC000154446217 426440168 /nfs/dbraw/zinc/44/01/68/426440168.db2.gz ODDMOTGIXNMWFN-HOCLYGCPSA-N 2 0 312.461 2.873 20 0 DFADRP CCN1CC[NH+](CCCC[NH2+][C@@H](C)c2ccccc2F)CC1 ZINC000154447013 426440528 /nfs/dbraw/zinc/44/05/28/426440528.db2.gz VIGDEKRJGJRRBM-INIZCTEOSA-N 2 0 307.457 2.894 20 0 DFADRP CCN1CC[NH+](CCCC[NH2+][C@H]2CCc3ccccc32)CC1 ZINC000154468921 426441145 /nfs/dbraw/zinc/44/11/45/426441145.db2.gz MODJDXICIMUSJH-IBGZPJMESA-N 2 0 301.478 2.681 20 0 DFADRP C[C@]1(C[N@@H+]2CC[C@@H](OCCCc3ccccc3)C2)CC[NH2+]C1 ZINC000340706150 269001831 /nfs/dbraw/zinc/00/18/31/269001831.db2.gz GFSPNZXDDUEVOI-MOPGFXCFSA-N 2 0 302.462 2.710 20 0 DFADRP C[N@@H+]1CCC[C@H]1CNC1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000154567811 426445630 /nfs/dbraw/zinc/44/56/30/426445630.db2.gz VVVCCFCAQANYRP-IBGZPJMESA-N 2 0 319.468 2.516 20 0 DFADRP CC(C)n1cc2c(n1)C[C@H]([NH2+]C1CC[NH+](C(C)C)CC1)CC2 ZINC000341280187 269059076 /nfs/dbraw/zinc/05/90/76/269059076.db2.gz MYQQAAOJJNIFMD-QGZVFWFLSA-N 2 0 304.482 2.784 20 0 DFADRP C[C@H]([NH2+]CCCC[NH+]1CCN(Cc2ccccc2)CC1)C1CC1 ZINC000177228778 426457241 /nfs/dbraw/zinc/45/72/41/426457241.db2.gz ABRMGLHUKIZDPG-SFHVURJKSA-N 2 0 315.505 2.973 20 0 DFADRP C[C@@H]([NH2+]C[C@H](C)CN1CC[NH+](C)CC1)c1ccccc1Cl ZINC000177294139 426463827 /nfs/dbraw/zinc/46/38/27/426463827.db2.gz OUWHQISJWYANMP-LSDHHAIUSA-N 2 0 309.885 2.874 20 0 DFADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+][C@@H](C)c2cccc(OC)c2)CC1 ZINC000177294993 426464162 /nfs/dbraw/zinc/46/41/62/426464162.db2.gz MJEKMJRDEBTZEY-IRXDYDNUSA-N 2 0 319.493 2.619 20 0 DFADRP C[C@@H](c1ccccn1)[NH+]1CCC(OCC[NH+]2CCCC2)CC1 ZINC000177362162 426471845 /nfs/dbraw/zinc/47/18/45/426471845.db2.gz IBTWJGKQAUPHFA-INIZCTEOSA-N 2 0 303.450 2.719 20 0 DFADRP C[NH+](C)Cc1cccc(C(=O)NCCC[NH+]2CCCCCC2)c1 ZINC000155505565 426473597 /nfs/dbraw/zinc/47/35/97/426473597.db2.gz QGHBEJOLRUTDPV-UHFFFAOYSA-N 2 0 317.477 2.744 20 0 DFADRP C[C@@H](c1ccc(F)cc1)[N@H+](C)CCN(C)C1CC[NH+](C)CC1 ZINC000177378457 426474305 /nfs/dbraw/zinc/47/43/05/426474305.db2.gz LEOPSXCVEMBJOP-HNNXBMFYSA-N 2 0 307.457 2.845 20 0 DFADRP Cc1cc(NC[C@H](C)[NH+]2CCN(C)CC2)c2cc(F)ccc2[nH+]1 ZINC000124205659 426475332 /nfs/dbraw/zinc/47/53/32/426475332.db2.gz UAOBQEIVYVYZHV-AWEZNQCLSA-N 2 0 316.424 2.730 20 0 DFADRP COc1ccc(C[C@@H](C)[NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)cc1OC ZINC000124358394 426481501 /nfs/dbraw/zinc/48/15/01/426481501.db2.gz JPMKEOGHNYHATQ-GDBMZVCRSA-N 2 0 318.461 2.709 20 0 DFADRP C[C@H]([NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1)c1ccc2c(c1)OCCO2 ZINC000124377135 426482216 /nfs/dbraw/zinc/48/22/16/426482216.db2.gz XGPWJWRIEFMLSM-KBPBESRZSA-N 2 0 302.418 2.593 20 0 DFADRP C[C@H](CCc1ccccc1)[NH2+][C@H](C)CCN1CC[NH+](C)CC1 ZINC000186581547 426554548 /nfs/dbraw/zinc/55/45/48/426554548.db2.gz LJIXDUPMJGEZRU-QZTJIDSGSA-N 2 0 303.494 2.623 20 0 DFADRP Cc1cccc(C[NH+]2CCN(CC[NH+]3CCCC3)CC2)c1C ZINC000177778612 426517912 /nfs/dbraw/zinc/51/79/12/426517912.db2.gz FVLVIBDLJMWJEF-UHFFFAOYSA-N 2 0 301.478 2.517 20 0 DFADRP C[C@H](NCC[NH+]1CCCC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272457489 426529390 /nfs/dbraw/zinc/52/93/90/426529390.db2.gz KARUTJLZOPQVBJ-PKOBYXMFSA-N 2 0 301.478 2.582 20 0 DFADRP C[C@H]([NH2+]CC1(CO)CCCC1)c1ccc(OCC[NH+](C)C)cc1 ZINC000186486742 426538090 /nfs/dbraw/zinc/53/80/90/426538090.db2.gz XFHINIAMCYTREJ-INIZCTEOSA-N 2 0 320.477 2.830 20 0 DFADRP C[C@@H]([NH2+]CC1(C)CC[NH+](C)CC1)c1ccc2c(c1)OCCO2 ZINC000272512755 426544425 /nfs/dbraw/zinc/54/44/25/426544425.db2.gz GMXYVDHKVNIUQQ-CQSZACIVSA-N 2 0 304.434 2.840 20 0 DFADRP CC[N@H+](Cc1ccc(C(=O)N2C[C@H](C)[NH2+]C[C@H]2C)cc1)C(C)C ZINC000272511201 426544476 /nfs/dbraw/zinc/54/44/76/426544476.db2.gz GHDHFBZUBDPYHB-JKSUJKDBSA-N 2 0 317.477 2.739 20 0 DFADRP CCN1CC[NH+]([C@@H]2CCN(c3cc(C)[nH+]c4ccccc43)C2)CC1 ZINC000264419801 426548654 /nfs/dbraw/zinc/54/86/54/426548654.db2.gz QSRNCGRPJQQEQK-QGZVFWFLSA-N 2 0 324.472 2.759 20 0 DFADRP C[C@H]1CN(Cc2ccccc2)C[C@@H]1[NH2+]CC1(C)CC[NH+](C)CC1 ZINC000272525428 426549055 /nfs/dbraw/zinc/54/90/55/426549055.db2.gz JMAJDHTUXIIRPR-HKUYNNGSSA-N 2 0 315.505 2.828 20 0 DFADRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+][C@@H](C)c1ccc(F)cc1F ZINC000186580860 426555417 /nfs/dbraw/zinc/55/54/17/426555417.db2.gz MSQQXOUTZNNLAZ-KGLIPLIRSA-N 2 0 311.420 2.641 20 0 DFADRP C[C@@H]([NH2+]CC(C)(C)CCO)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272536756 426551460 /nfs/dbraw/zinc/55/14/60/426551460.db2.gz BXJCVZKVISRJNB-AEFFLSMTSA-N 2 0 304.478 2.895 20 0 DFADRP CCSCC[NH+]1CCC(CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000177508095 426490334 /nfs/dbraw/zinc/49/03/34/426490334.db2.gz NXLWLYRZXAIVMR-IYBDPMFKSA-N 2 0 314.539 2.951 20 0 DFADRP C[N@H+](C[C@@H](O)Cc1ccc2ccccc2c1)C[C@H]1CC[NH+](C)C1 ZINC000280391457 426565134 /nfs/dbraw/zinc/56/51/34/426565134.db2.gz WWNDNULQZZOKMX-PXNSSMCTSA-N 2 0 312.457 2.627 20 0 DFADRP CC(C)[C@](C)(O)C[NH2+][C@@H](C)c1ccc(OCC[NH+](C)C)cc1 ZINC000178114337 426573866 /nfs/dbraw/zinc/57/38/66/426573866.db2.gz CUDYHRCJGYGUDJ-MAUKXSAKSA-N 2 0 308.466 2.685 20 0 DFADRP COc1ccc([C@@H](C)[NH2+]C[C@H](C)CN2CC[NH+](C)CC2)cc1C ZINC000273086451 426589828 /nfs/dbraw/zinc/58/98/28/426589828.db2.gz QKTSYILNURGWPE-DOTOQJQBSA-N 2 0 319.493 2.538 20 0 DFADRP Cc1ccncc1CCC[N@@H+]1CCNC(=O)C[C@@H]1c1ccccc1 ZINC000289150596 426593412 /nfs/dbraw/zinc/59/34/12/426593412.db2.gz QENQXUTVNJUWBA-LJQANCHMSA-N 2 0 323.440 2.886 20 0 DFADRP CC[C@H]([NH2+]Cc1cccnc1N1CC[NH+](C)CC1)C(C)(C)C ZINC000289189054 426600549 /nfs/dbraw/zinc/60/05/49/426600549.db2.gz IULSPUISQRBGQU-INIZCTEOSA-N 2 0 304.482 2.748 20 0 DFADRP COc1ccc(OC)c(C[N@@H+]2CCC[C@@H]2Cn2ccnc2C)c1 ZINC000178306892 426603104 /nfs/dbraw/zinc/60/31/04/426603104.db2.gz XHAQHJSOCAALKS-MRXNPFEDSA-N 2 0 315.417 2.873 20 0 DFADRP C[NH+]1CCC(O)(C[NH2+]C2CC(c3ccc(Cl)cc3)C2)CC1 ZINC000273193330 426613646 /nfs/dbraw/zinc/61/36/46/426613646.db2.gz QDWFAFVVSBFGDM-UHFFFAOYSA-N 2 0 308.853 2.632 20 0 DFADRP CCC(C)(C)[NH2+][C@@H](C)C(=O)NC[C@H](c1ccc(F)cc1)[NH+](C)C ZINC000273222506 426620476 /nfs/dbraw/zinc/62/04/76/426620476.db2.gz PLEPGCIDEHYFFK-XJKSGUPXSA-N 2 0 323.456 2.711 20 0 DFADRP COc1ccc(C)cc1[C@H](C)[NH2+][C@H](C)CCN1CC[NH+](C)CC1 ZINC000186603818 426563797 /nfs/dbraw/zinc/56/37/97/426563797.db2.gz GHHBLWPCHASKHD-SJORKVTESA-N 2 0 319.493 2.680 20 0 DFADRP C[C@H]([NH2+][C@@H]1C[C@H]2OCCC[C@H]12)c1cccc(OCC[NH+](C)C)c1 ZINC000187285217 426645811 /nfs/dbraw/zinc/64/58/11/426645811.db2.gz XMZSJVGRZLZCBZ-JEDBISTDSA-N 2 0 318.461 2.845 20 0 DFADRP CC(C)[C@H](C[NH2+][C@H](C)CN1CC[NH+](C)CC1)c1ccccc1 ZINC000280793906 426656510 /nfs/dbraw/zinc/65/65/10/426656510.db2.gz GSLQSKXBEGJLOJ-MJGOQNOKSA-N 2 0 303.494 2.652 20 0 DFADRP Cc1cc(C)c(C[N@H+](C)CCCN2CC[NH+](C)CC2)cc1C ZINC000289470358 426666589 /nfs/dbraw/zinc/66/65/89/426666589.db2.gz PIYJARVLYMFZGI-UHFFFAOYSA-N 2 0 303.494 2.681 20 0 DFADRP COC[C@@H]([NH2+]CC1CC[NH+](Cc2ccccc2)CC1)C1CC1 ZINC000178635999 426668362 /nfs/dbraw/zinc/66/83/62/426668362.db2.gz RBXYJTJKTSJSJT-LJQANCHMSA-N 2 0 302.462 2.913 20 0 DFADRP CC1CC[NH+](Cc2ccc(NC(=O)[C@@]3(C)CC[NH2+]C3)cc2)CC1 ZINC000236637204 426668573 /nfs/dbraw/zinc/66/85/73/426668573.db2.gz SMPQUQXKDQFQTR-IBGZPJMESA-N 2 0 315.461 2.857 20 0 DFADRP OC[C@@H]1CCC[N@@H+]1CCCC[NH2+][C@H](c1cccnc1)C1CCC1 ZINC000280862899 426672331 /nfs/dbraw/zinc/67/23/31/426672331.db2.gz NITXJDZBOBKAID-OALUTQOASA-N 2 0 317.477 2.749 20 0 DFADRP C[NH2+]CCCC(=O)Nc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000178690002 426677090 /nfs/dbraw/zinc/67/70/90/426677090.db2.gz CQWSVWLKIAXPMY-OAHLLOKOSA-N 2 0 303.450 2.857 20 0 DFADRP C[C@@H](CN1CC[NH+](C)CC1)[NH2+][C@@H](C)c1nccc2ccccc21 ZINC000289948873 426678090 /nfs/dbraw/zinc/67/80/90/426678090.db2.gz WLOBPTJZNQQEAJ-HOTGVXAUSA-N 2 0 312.461 2.521 20 0 DFADRP Cc1ccncc1CCC[N@@H+](C)[C@H]1CCCC[C@H]1S(C)(=O)=O ZINC000290049830 426681587 /nfs/dbraw/zinc/68/15/87/426681587.db2.gz OPNGRFMERKHQFN-DLBZAZTESA-N 2 0 324.490 2.610 20 0 DFADRP CCCC[N@@H+]1CCCC[C@H]1CNC(=O)C[C@@H](C)C1CC[NH2+]CC1 ZINC000236753782 426685332 /nfs/dbraw/zinc/68/53/32/426685332.db2.gz GGBIDKKKHIYRAD-AEFFLSMTSA-N 2 0 323.525 2.783 20 0 DFADRP CC(C)[C@@H](Cc1ccccc1)[NH2+]C[C@@H](O)C[NH+]1CCCCC1 ZINC000187050241 426624584 /nfs/dbraw/zinc/62/45/84/426624584.db2.gz UOQDXFKFBDCPLJ-RTBURBONSA-N 2 0 304.478 2.690 20 0 DFADRP [NH3+][C@@H](CNC(=O)c1cccc(C[NH+]2CCCC2)c1)c1ccccc1 ZINC000238047610 426704040 /nfs/dbraw/zinc/70/40/40/426704040.db2.gz OPQBGIAWYOUFTE-IBGZPJMESA-N 2 0 323.440 2.712 20 0 DFADRP Cc1cccn2cc(CNC(=O)[C@H](C)[C@@H]([NH3+])c3ccccc3)nc12 ZINC000237622278 426693936 /nfs/dbraw/zinc/69/39/36/426693936.db2.gz XGEXQVXWAJMVOH-RHSMWYFYSA-N 2 0 322.412 2.595 20 0 DFADRP [NH3+]Cc1ccc(C(=O)NC[C@H]2CCC[N@@H+]2Cc2ccccc2)cc1 ZINC000237972138 426700902 /nfs/dbraw/zinc/70/09/02/426700902.db2.gz HMIVYXREFMDOIV-LJQANCHMSA-N 2 0 323.440 2.540 20 0 DFADRP C[C@H](C[N@H+](C)Cc1ccccc1)N[C@H]1CC[NH+]2CCC[C@@H]2C1 ZINC000290444164 426767084 /nfs/dbraw/zinc/76/70/84/426767084.db2.gz VRAKIBNEROBLGI-NZSAHSFTSA-N 2 0 301.478 2.723 20 0 DFADRP C[C@H](CC[NH2+][C@H](C)C1CCOCC1)[NH2+][C@H](C)C1CCOCC1 ZINC000245876864 426778838 /nfs/dbraw/zinc/77/88/38/426778838.db2.gz MOKGTHXSGBNBQD-BZUAXINKSA-N 2 0 312.498 2.574 20 0 DFADRP CCn1nc(CN2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)c2ccccc21 ZINC000274504995 426783575 /nfs/dbraw/zinc/78/35/75/426783575.db2.gz SVJSLVVUAILAAY-QAPCUYQASA-N 2 0 312.461 2.972 20 0 DFADRP C[N@@H+]1CC[C@@H]2[C@@H](CCCN2Cc2cnn(Cc3ccccc3)c2)C1 ZINC000290343642 426745924 /nfs/dbraw/zinc/74/59/24/426745924.db2.gz FPIMDPQJBBLTEF-VQTJNVASSA-N 2 0 324.472 2.848 20 0 DFADRP O[C@@H]1CCC[C@H]1[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000245716116 426764683 /nfs/dbraw/zinc/76/46/83/426764683.db2.gz OCDGRTRNVXDJQR-UJWQCDCRSA-N 2 0 300.446 2.685 20 0 DFADRP CC[C@H](CCO)[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000245708977 426764854 /nfs/dbraw/zinc/76/48/54/426764854.db2.gz MZDPGYLUUBRRIW-MKXGPGLRSA-N 2 0 302.462 2.933 20 0 DFADRP C[C@H](C(=O)Nc1ccc(C[NH+](C)C)cc1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000266933945 426798790 /nfs/dbraw/zinc/79/87/90/426798790.db2.gz NNPVIROSGFIBLZ-QLFBSQMISA-N 2 0 303.450 2.948 20 0 DFADRP Cn1ccnc1CN[C@H]1c2ccccc2CC[C@@H]1n1ccnc1 ZINC000290603284 426803453 /nfs/dbraw/zinc/80/34/53/426803453.db2.gz WBCOYQAOLLVHCH-WMZOPIPTSA-N 2 0 307.401 2.635 20 0 DFADRP C[N@H+](Cc1ccccc1)CC(C)(C)CNC1CC[NH+](C)CC1 ZINC000266977362 426807275 /nfs/dbraw/zinc/80/72/75/426807275.db2.gz RIWPJEHUGXINDF-UHFFFAOYSA-N 2 0 303.494 2.828 20 0 DFADRP CCOC(=O)c1ccc(C[N@@H+]2CC[C@H](C3CC[NH+](C)CC3)C2)o1 ZINC000290628879 426808306 /nfs/dbraw/zinc/80/83/06/426808306.db2.gz XUEALSNEKQMBTI-HNNXBMFYSA-N 2 0 320.433 2.620 20 0 DFADRP COc1ccc([C@@H]([NH2+]C[C@@H](O)C[NH+]2CCCCC2)C(C)C)cc1 ZINC000180044375 426832732 /nfs/dbraw/zinc/83/27/32/426832732.db2.gz JCKFIBRGHWAWEP-MJGOQNOKSA-N 2 0 320.477 2.829 20 0 DFADRP CC[N@@H+]1CC[C@H]([NH2+]CC[C@H](C)NC(=O)OC(C)(C)C)[C@H](C)C1 ZINC000246441760 426832748 /nfs/dbraw/zinc/83/27/48/426832748.db2.gz OPDUZRMXADZZNK-ILXRZTDVSA-N 2 0 313.486 2.610 20 0 DFADRP Cc1ccc([C@@H]([NH2+]CC2CC[NH+](CCO)CC2)C2CC2)cc1 ZINC000180099831 426836640 /nfs/dbraw/zinc/83/66/40/426836640.db2.gz AFVHYNDBYFXCIA-LJQANCHMSA-N 2 0 302.462 2.740 20 0 DFADRP Cc1ccccc1-n1nccc1C[N@H+](C)CCCn1ccnc1 ZINC000290568387 426795319 /nfs/dbraw/zinc/79/53/19/426795319.db2.gz SVMLDIIZNRZCEO-UHFFFAOYSA-N 2 0 309.417 2.899 20 0 DFADRP C[N@H+](CCO)C1CC[NH+]([C@@H]2CC[C@](C)(c3ccccc3)C2)CC1 ZINC000275785444 426918273 /nfs/dbraw/zinc/91/82/73/426918273.db2.gz YCJHPMHHBWABET-UXHICEINSA-N 2 0 316.489 2.885 20 0 DFADRP C[C@H](C(=O)Nc1ccc(CC[NH+](C)C)cc1)[NH+]1[C@H](C)CC[C@H]1C ZINC000275786278 426918476 /nfs/dbraw/zinc/91/84/76/426918476.db2.gz IMRSDZMNPPACIW-BZUAXINKSA-N 2 0 317.477 2.991 20 0 DFADRP C[C@H]([NH2+]C[C@@H]1CCC[C@H]1O)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000274941686 426858731 /nfs/dbraw/zinc/85/87/31/426858731.db2.gz SZXHEBRXCKNBGO-DSLXNQLJSA-N 2 0 302.462 2.648 20 0 DFADRP CC(C)(C[N@@H+]1CC[C@H](CN2CCOCC2)C1)c1ccccc1 ZINC000180453304 426860977 /nfs/dbraw/zinc/86/09/77/426860977.db2.gz FRIKSJUQGMSZFZ-QGZVFWFLSA-N 2 0 302.462 2.618 20 0 DFADRP C[C@@H]([NH2+]CCN1CC[N@H+](C)C(C)(C)C1)[C@@H](C)c1ccccc1 ZINC000282237960 426861451 /nfs/dbraw/zinc/86/14/51/426861451.db2.gz IYBCASZMQNVFGD-IAGOWNOFSA-N 2 0 303.494 2.794 20 0 DFADRP C[C@@H](CC(N)=O)[NH2+]Cc1ccccc1C[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000267289604 426863747 /nfs/dbraw/zinc/86/37/47/426863747.db2.gz XLYHCHZCHOPJRQ-OAGGEKHMSA-N 2 0 317.477 2.518 20 0 DFADRP CC[C@@H](C)[N@H+](C)CCNC(=O)Nc1ccccc1CC[NH+](C)C ZINC000275570366 426872694 /nfs/dbraw/zinc/87/26/94/426872694.db2.gz CLDCAFMTWYRPRH-OAHLLOKOSA-N 2 0 320.481 2.643 20 0 DFADRP COc1ccc([C@@H](C)[NH2+]CCN2CC[N@H+](C)C(C)(C)C2)c(F)c1 ZINC000282309678 426879341 /nfs/dbraw/zinc/87/93/41/426879341.db2.gz MWIQFBFUBBWRQF-CQSZACIVSA-N 2 0 323.456 2.511 20 0 DFADRP C[C@@H]1C[C@H]1c1ccc(C[NH2+]CC(C)(C)N2CC[NH+](C)CC2)o1 ZINC000314166730 426925186 /nfs/dbraw/zinc/92/51/86/426925186.db2.gz YTECGLBROIIXTG-GDBMZVCRSA-N 2 0 305.466 2.519 20 0 DFADRP C[C@@H]1C[C@@H](NC2CC[NH+](C)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000267545280 426881753 /nfs/dbraw/zinc/88/17/53/426881753.db2.gz BLCKTJUHIJCRCQ-APWZRJJASA-N 2 0 301.478 2.723 20 0 DFADRP CC[NH+](CC)[C@H](C)CNC(=O)Nc1ccccc1CC[NH+](C)C ZINC000275651510 426886044 /nfs/dbraw/zinc/88/60/44/426886044.db2.gz MXDSDKZSUHMITG-OAHLLOKOSA-N 2 0 320.481 2.643 20 0 DFADRP CCN(CC[NH2+][C@H]1CC[N@H+](CC)C[C@@H]1C)C(=O)OC(C)(C)C ZINC000246971211 426886364 /nfs/dbraw/zinc/88/63/64/426886364.db2.gz JLGNAWJGALMVGR-GJZGRUSLSA-N 2 0 313.486 2.563 20 0 DFADRP Cc1ccc(C[NH+]2CCC(CCC[NH+]3CCOCC3)CC2)o1 ZINC000180797643 426887208 /nfs/dbraw/zinc/88/72/08/426887208.db2.gz GHICZWKQIZATCW-UHFFFAOYSA-N 2 0 306.450 2.912 20 0 DFADRP C[C@H](CC(C)(C)C)[NH2+]Cc1cccnc1N1CC[NH+](C)CC1 ZINC000295297283 426896152 /nfs/dbraw/zinc/89/61/52/426896152.db2.gz XIZJCFXAOHUISB-OAHLLOKOSA-N 2 0 304.482 2.748 20 0 DFADRP C[C@H]([NH2+]C(C)(C)CNC(=O)c1c[nH+]ccc1N)c1ccccc1 ZINC000275679825 426896690 /nfs/dbraw/zinc/89/66/90/426896690.db2.gz PFMMAPROVHEINI-ZDUSSCGKSA-N 2 0 312.417 2.523 20 0 DFADRP CN(CC[N@H+](C)[C@@H]1CCc2ccc(F)cc21)C1CC[NH+](C)CC1 ZINC000180963211 426900159 /nfs/dbraw/zinc/90/01/59/426900159.db2.gz LCYRYZNIVLDEBL-LJQANCHMSA-N 2 0 319.468 2.771 20 0 DFADRP C[N@@H+]1CCCN(CCC[NH2+][C@H]2CCCOc3ccccc32)CC1 ZINC000247091633 426900337 /nfs/dbraw/zinc/90/03/37/426900337.db2.gz ROUNUHOZXXYVLS-SFHVURJKSA-N 2 0 317.477 2.518 20 0 DFADRP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@H]2c3ccccc3C[C@H]2C)CC1 ZINC000247112009 426904663 /nfs/dbraw/zinc/90/46/63/426904663.db2.gz TVZFXQGEEAYVIW-MBOZVWFJSA-N 2 0 315.505 2.783 20 0 DFADRP CCC[NH+](CCC)CCCC(=O)N1C[C@H]2CCC[N@@H+]2C[C@H]1C ZINC000247503270 426948083 /nfs/dbraw/zinc/94/80/83/426948083.db2.gz VFOJMGDSNIQSSY-IAGOWNOFSA-N 2 0 309.498 2.584 20 0 DFADRP C[NH+](C/C=C/C[N@H+](C)CCc1ccncc1)CCc1ccncc1 ZINC000181458545 426951633 /nfs/dbraw/zinc/95/16/33/426951633.db2.gz UFIJAEVLKLWHFE-ONEGZZNKSA-N 2 0 324.472 2.682 20 0 DFADRP C[C@H](CN[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)C[NH+](C)C ZINC000291804127 426994102 /nfs/dbraw/zinc/99/41/02/426994102.db2.gz XOJKIZCGURWZFA-ZHALLVOQSA-N 2 0 303.494 2.827 20 0 DFADRP Cc1cncc(C[NH+]2CCC(C[NH+]3C[C@H](C)O[C@@H](C)C3)CC2)c1 ZINC000189862457 426966744 /nfs/dbraw/zinc/96/67/44/426966744.db2.gz UBIFJVDPYFYLHJ-IRXDYDNUSA-N 2 0 317.477 2.711 20 0 DFADRP Cc1cncc(C[NH+]2CCC(C[NH+]3C[C@@H](C)O[C@H](C)C3)CC2)c1 ZINC000189862437 426966809 /nfs/dbraw/zinc/96/68/09/426966809.db2.gz UBIFJVDPYFYLHJ-IAGOWNOFSA-N 2 0 317.477 2.711 20 0 DFADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+][C@H](C)c1ccc2[nH]c(=O)[nH]c2c1 ZINC000321015852 426967387 /nfs/dbraw/zinc/96/73/87/426967387.db2.gz UARRBHPUMCBSLK-NFAWXSAZSA-N 2 0 316.449 2.818 20 0 DFADRP CC[C@H]1CCCC[C@H]1[NH2+]Cc1cccnc1N1CC[NH+](C)CC1 ZINC000181743195 426980258 /nfs/dbraw/zinc/98/02/58/426980258.db2.gz BVOQVMYFORIQNI-FUHWJXTLSA-N 2 0 316.493 2.892 20 0 DFADRP CC[N@@H+]1CC[C@@H]([NH2+]CCCCNC(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000248391055 426994946 /nfs/dbraw/zinc/99/49/46/426994946.db2.gz BWUFWDUUQMWKBK-LSDHHAIUSA-N 2 0 313.486 2.611 20 0 DFADRP CC(C)[N@@H+](C)C[C@@H](C)NC(=O)c1ccc(C[NH+]2CCCC2)cc1 ZINC000291797456 426990709 /nfs/dbraw/zinc/99/07/09/426990709.db2.gz GUUUNBWTFLAKBT-MRXNPFEDSA-N 2 0 317.477 2.741 20 0 DFADRP C[C@H]([NH2+]CCOCC(F)F)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000276158737 426995236 /nfs/dbraw/zinc/99/52/36/426995236.db2.gz CYODOKXKDAISDP-HOCLYGCPSA-N 2 0 312.404 2.768 20 0 DFADRP C[NH+](C)Cc1ccsc1C(=O)NCC1([NH+](C)C)CCCCC1 ZINC000268178925 426939528 /nfs/dbraw/zinc/93/95/28/426939528.db2.gz WDMWKMHYAYBHNH-UHFFFAOYSA-N 2 0 323.506 2.804 20 0 DFADRP CCC[C@@H](C(=O)NC[C@@H](c1ccccc1)[NH+](CC)CC)[NH+](C)C ZINC000337950637 427056531 /nfs/dbraw/zinc/05/65/31/427056531.db2.gz ZXCACDOZWZFEFV-ROUUACIJSA-N 2 0 319.493 2.916 20 0 DFADRP CC(C)Oc1ccc(C[NH2+]CC2(O)CC[NH+](C(C)C)CC2)cc1 ZINC000268398482 427005648 /nfs/dbraw/zinc/00/56/48/427005648.db2.gz AYTFNXVFGAIUPQ-UHFFFAOYSA-N 2 0 320.477 2.799 20 0 DFADRP C[C@H](C[NH2+][C@@H](C)[C@@H]1C[C@H]1c1ccccc1)CN1CCOCC1 ZINC000283394718 427007599 /nfs/dbraw/zinc/00/75/99/427007599.db2.gz PWIDXDVNEFCIPZ-NEPXVJNWSA-N 2 0 302.462 2.737 20 0 DFADRP C[C@@H]([NH2+]CCN1CCC([NH+](C)C)CC1)[C@@H]1C[C@H]1c1ccccc1 ZINC000283477170 427019780 /nfs/dbraw/zinc/01/97/80/427019780.db2.gz WUDXVHIQBBBUJC-UXPWSPDFSA-N 2 0 315.505 2.794 20 0 DFADRP C(C1CCC2(CC1)OCCO2)[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000190243052 427051626 /nfs/dbraw/zinc/05/16/26/427051626.db2.gz NUIBAFCCFOVMMS-SFHVURJKSA-N 2 0 322.493 2.870 20 0 DFADRP C[C@@H](CCCC[NH3+])NC(=O)C1CC[NH+](Cc2ccccc2)CC1 ZINC000292039221 427066905 /nfs/dbraw/zinc/06/69/05/427066905.db2.gz HYRGEAKMKPXDAV-INIZCTEOSA-N 2 0 317.477 2.532 20 0 DFADRP CCC[N@H+](C)C[C@@H]1CC[NH+](C[C@H](O)CCc2ccccc2)C1 ZINC000182437144 427075682 /nfs/dbraw/zinc/07/56/82/427075682.db2.gz YDFGPSOEFIFEMV-RBUKOAKNSA-N 2 0 304.478 2.644 20 0 DFADRP CCN1CC[NH+](CCCC[NH2+][C@H]2CCC[C@@H]2CCCF)CC1 ZINC000337989180 427077558 /nfs/dbraw/zinc/07/75/58/427077558.db2.gz LGQCLGGZLPKILB-MSOLQXFVSA-N 2 0 313.505 2.912 20 0 DFADRP CN(C)CC[NH+]1CCC(C[NH2+][C@@H]2CCC[C@H]2CCCF)CC1 ZINC000337990646 427079348 /nfs/dbraw/zinc/07/93/48/427079348.db2.gz DMMFGHSDWMXTDX-ZWKOTPCHSA-N 2 0 313.505 2.768 20 0 DFADRP FCCC[C@@H]1CCC[C@@H]1[NH2+]C1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000337991941 427079768 /nfs/dbraw/zinc/07/97/68/427079768.db2.gz QBBPWXKVZVUUPA-BQFCYCMXSA-N 2 0 312.473 2.995 20 0 DFADRP OC[C@@H]1CCC[N@@H+]1CCCC[NH2+][C@@H]1CCC[C@H]1CCCF ZINC000337991106 427080560 /nfs/dbraw/zinc/08/05/60/427080560.db2.gz WSGFJAYLXZKXIW-YESZJQIVSA-N 2 0 300.462 2.731 20 0 DFADRP CC[C@@H](NCc1ccc(OCC[NH+](C)C)cc1)c1nccn1C ZINC000182487546 427083191 /nfs/dbraw/zinc/08/31/91/427083191.db2.gz LYKLIXLXYMNVNO-QGZVFWFLSA-N 2 0 316.449 2.601 20 0 DFADRP C[NH+]1CCN(c2cc(C[NH2+][C@@H]3CC[C@H]3C3CCC3)ccn2)CC1 ZINC000338003530 427087568 /nfs/dbraw/zinc/08/75/68/427087568.db2.gz XENRSDJKDQEGME-ZWKOTPCHSA-N 2 0 314.477 2.502 20 0 DFADRP C[C@@H](CNC(=O)c1ccc2c[nH+]cn2c1)[N@H+](C)Cc1ccccc1 ZINC000283855653 427089226 /nfs/dbraw/zinc/08/92/26/427089226.db2.gz GWBYSVLDBJIYGY-HNNXBMFYSA-N 2 0 322.412 2.585 20 0 DFADRP COCC[N@H+](C)CCC[NH2+][C@H]1CC[C@@H](Cc2ccccc2)C1 ZINC000249139530 427092164 /nfs/dbraw/zinc/09/21/64/427092164.db2.gz VLKJHRUCGRMXGB-OALUTQOASA-N 2 0 304.478 2.956 20 0 DFADRP CC[NH+](CC)CCNC(=O)c1ccc(C[N@H+](CC)C2CC2)cc1 ZINC000338020230 427095168 /nfs/dbraw/zinc/09/51/68/427095168.db2.gz OEAMEPNKPABHCU-UHFFFAOYSA-N 2 0 317.477 2.743 20 0 DFADRP CCN1CCC[C@H]1C[NH2+][C@H](C)c1cccc(N2CCOCC2)c1 ZINC000268725765 427102384 /nfs/dbraw/zinc/10/23/84/427102384.db2.gz MDLFCZGYBOUGAH-APWZRJJASA-N 2 0 317.477 2.658 20 0 DFADRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@H]1CCCc2c(O)cccc21 ZINC000283949859 427104866 /nfs/dbraw/zinc/10/48/66/427104866.db2.gz FRPVXAWRQZFGEB-PBHICJAKSA-N 2 0 306.450 2.716 20 0 DFADRP CC(C)[C@@H](C[NH2+][C@@H]1CCc2c1cccc2F)N1CC[NH+](C)CC1 ZINC000268731145 427107516 /nfs/dbraw/zinc/10/75/16/427107516.db2.gz AIKVZLFCHOMCKO-RTBURBONSA-N 2 0 319.468 2.675 20 0 DFADRP C[C@H]1C[C@H](NC(=O)C=Cc2c[nH]cn2)CC[N@@H+]1Cc1ccccc1 ZINC000276594445 427110374 /nfs/dbraw/zinc/11/03/74/427110374.db2.gz NKKWFKAWVSVYMU-CRLUXQHQSA-N 2 0 324.428 2.592 20 0 DFADRP C[C@H](C(=O)N1CC[NH+](CCC(C)(C)C)CC1)[NH+]1[C@H](C)CC[C@H]1C ZINC000338046933 427110861 /nfs/dbraw/zinc/11/08/61/427110861.db2.gz MTRHFACYQPKOSO-BRWVUGGUSA-N 2 0 323.525 2.828 20 0 DFADRP CCN1CC[NH+](CCCC[NH2+][C@@H]2CCc3c2cccc3F)CC1 ZINC000268806945 427123237 /nfs/dbraw/zinc/12/32/37/427123237.db2.gz JJORCPZLSBTCII-LJQANCHMSA-N 2 0 319.468 2.820 20 0 DFADRP C[C@@H]1CCC[N@H+](Cc2ccc(NC(=O)C[C@H]3CC[NH2+]C3)cc2)C1 ZINC000249527881 427124277 /nfs/dbraw/zinc/12/42/77/427124277.db2.gz AJELEGTZSPGQFX-NVXWUHKLSA-N 2 0 315.461 2.857 20 0 DFADRP COc1ccsc1C[NH2+]CCCC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000268813355 427125832 /nfs/dbraw/zinc/12/58/32/427125832.db2.gz UTQLWLBHRAZWEW-KBPBESRZSA-N 2 0 312.479 2.736 20 0 DFADRP C[C@@H](c1nc(-c2ccccc2)no1)N1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000292208757 427131795 /nfs/dbraw/zinc/13/17/95/427131795.db2.gz TUWFZEQUNGZUIS-KBXCAEBGSA-N 2 0 312.417 2.825 20 0 DFADRP Cc1cc(C[NH+](C)C)cc(NC(=O)CC2CC[NH+](C)CC2)c1 ZINC000292205755 427132757 /nfs/dbraw/zinc/13/27/57/427132757.db2.gz PPMMYJRUMKHTMD-UHFFFAOYSA-N 2 0 303.450 2.727 20 0 DFADRP C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)c1ccc2c[nH+]cn2c1 ZINC000284108215 427134016 /nfs/dbraw/zinc/13/40/16/427134016.db2.gz SPCFEYDJNYEDGY-OAHLLOKOSA-N 2 0 314.433 2.719 20 0 DFADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1N[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000268876764 427139132 /nfs/dbraw/zinc/13/91/32/427139132.db2.gz IYVWDGMMYJXDNR-UMGGQSCQSA-N 2 0 315.505 2.969 20 0 DFADRP CC[C@H](C)NC(=O)C[NH+]1CCC(CCC[NH+](CC)CC)CC1 ZINC000182763173 427139980 /nfs/dbraw/zinc/13/99/80/427139980.db2.gz PKTYSNIZXHSNAU-INIZCTEOSA-N 2 0 311.514 2.735 20 0 DFADRP Cc1cc(C[NH2+][C@@H](C)c2ccc(OCC[NH+](C)C)cc2)n(C)n1 ZINC000284142794 427143646 /nfs/dbraw/zinc/14/36/46/427143646.db2.gz DFNAVNWLGFRCKE-HNNXBMFYSA-N 2 0 316.449 2.520 20 0 DFADRP CCC[NH2+][C@H](C)C(=O)NC[C@H](c1ccsc1)[NH+](CC)CC ZINC000296349903 427152913 /nfs/dbraw/zinc/15/29/13/427152913.db2.gz IXUGWIYCNCXDPX-UKRRQHHQSA-N 2 0 311.495 2.635 20 0 DFADRP C[C@H]([NH2+]CCC(C)(C)CO)c1ccc(OCC[NH+](C)C)cc1 ZINC000296359385 427159134 /nfs/dbraw/zinc/15/91/34/427159134.db2.gz IQWTYDZVWZYHBH-HNNXBMFYSA-N 2 0 308.466 2.686 20 0 DFADRP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@@H]2CCc3ccc(C)cc32)CC1 ZINC000121311906 271024285 /nfs/dbraw/zinc/02/42/85/271024285.db2.gz LNWQVROWUPPFSQ-YLJYHZDGSA-N 2 0 315.505 2.846 20 0 DFADRP CC(C)[N@H+](CCCn1ccnc1)CC(=O)Nc1ccc(F)cc1 ZINC000182891597 427164051 /nfs/dbraw/zinc/16/40/51/427164051.db2.gz WHPMHFHIGFTTJQ-UHFFFAOYSA-N 2 0 318.396 2.761 20 0 DFADRP C[N@@H+]1CCCN(CCC[NH2+][C@H]2CCCNc3ccccc32)CC1 ZINC000251687152 427162099 /nfs/dbraw/zinc/16/20/99/427162099.db2.gz OLIGOXXYXWADSQ-IBGZPJMESA-N 2 0 316.493 2.551 20 0 DFADRP CC1CC[NH+](CCCCNC(=O)[C@H]2CCCCCC[C@H]2[NH3+])CC1 ZINC000165098441 271095405 /nfs/dbraw/zinc/09/54/05/271095405.db2.gz QNYXMEXGAPFNGL-ZWKOTPCHSA-N 2 0 323.525 2.912 20 0 DFADRP Cc1ccccc1C[C@H]([NH2+][C@@H](C)CN1CC[NH+](C)CC1)C1CC1 ZINC000284254336 427165032 /nfs/dbraw/zinc/16/50/32/427165032.db2.gz IPMQRFSMAJASTK-PXNSSMCTSA-N 2 0 315.505 2.542 20 0 DFADRP CSc1ccccc1[C@H](C)[NH2+]C[C@H](C)N1CC[NH+](C)CC1 ZINC000194884577 271229414 /nfs/dbraw/zinc/22/94/14/271229414.db2.gz JINVVDCPFADHLE-GJZGRUSLSA-N 2 0 307.507 2.695 20 0 DFADRP C[C@H]1CCC[N@H+](Cc2ccc(CNC(=O)C(C)(C)C[NH3+])cc2)C1 ZINC000237502788 271249552 /nfs/dbraw/zinc/24/95/52/271249552.db2.gz VYKGTZYNWBTSEL-HNNXBMFYSA-N 2 0 317.477 2.520 20 0 DFADRP COc1ccc(C[N@H+](C)[C@H]2CCC[NH2+]CC2)cc1OC(F)F ZINC000262422546 271270892 /nfs/dbraw/zinc/27/08/92/271270892.db2.gz FCXJAEQKZCACOI-ZDUSSCGKSA-N 2 0 314.376 2.871 20 0 DFADRP CN(CC[N@H+](C)CCCc1cccc(F)c1)C1CC[NH+](C)CC1 ZINC000182943925 427171786 /nfs/dbraw/zinc/17/17/86/427171786.db2.gz KJHUFCLNMRPQCP-UHFFFAOYSA-N 2 0 321.484 2.716 20 0 DFADRP C[C@@H]([NH2+]CCC1(O)CCC1)c1cccc(OCC[NH+](C)C)c1 ZINC000284284968 427171945 /nfs/dbraw/zinc/17/19/45/427171945.db2.gz HUTBPFKWDBVKSV-OAHLLOKOSA-N 2 0 306.450 2.583 20 0 DFADRP CC[C@H](COC)[NH2+]Cc1ccc(OC2CC[NH+](C)CC2)cc1 ZINC000284285014 427170749 /nfs/dbraw/zinc/17/07/49/427170749.db2.gz HVCAPUFBYLYLOZ-MRXNPFEDSA-N 2 0 306.450 2.674 20 0 DFADRP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)CCc2ccccc2Cl)CC1 ZINC000303323375 271364837 /nfs/dbraw/zinc/36/48/37/271364837.db2.gz MKNBPIRSJMTBGK-OAHLLOKOSA-N 2 0 324.896 2.907 20 0 DFADRP C[NH+](C)[C@@H]1CCC[N@H+](CCC(=O)Nc2ccccc2F)CC1 ZINC000277337832 427171240 /nfs/dbraw/zinc/17/12/40/427171240.db2.gz VYKXJDTYWNAYSZ-CQSZACIVSA-N 2 0 307.413 2.570 20 0 DFADRP C[C@H](CCCO)C[NH2+][C@@H]1CCN(Cc2ccccc2)C[C@@H]1C ZINC000296464543 427189483 /nfs/dbraw/zinc/18/94/83/427189483.db2.gz NMONENNVOMMWBH-ZIFCJYIRSA-N 2 0 304.478 2.895 20 0 DFADRP C[C@H](CCCO)C[NH2+][C@H]1CCN(Cc2ccccc2)C[C@@H]1C ZINC000296464533 427190528 /nfs/dbraw/zinc/19/05/28/427190528.db2.gz NMONENNVOMMWBH-AOIWGVFYSA-N 2 0 304.478 2.895 20 0 DFADRP CCCC[N@H+](C)C[C@H](C)NC(=O)c1sccc1C[NH+](C)C ZINC000292517224 427192367 /nfs/dbraw/zinc/19/23/67/427192367.db2.gz BJZYHJMTPJWQGD-ZDUSSCGKSA-N 2 0 311.495 2.660 20 0 DFADRP O[C@H](C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1)c1ccccc1 ZINC000252692418 427194105 /nfs/dbraw/zinc/19/41/05/427194105.db2.gz LVKRIKHFMKWDBV-NZSAHSFTSA-N 2 0 300.446 2.669 20 0 DFADRP CC[N@H+](C)CCN[C@H]1CCC[C@H]2C[NH+](Cc3ccccc3)C[C@@H]21 ZINC000183132832 427207855 /nfs/dbraw/zinc/20/78/55/427207855.db2.gz OQFRAWLUWKYBLO-UFYCRDLUSA-N 2 0 315.505 2.828 20 0 DFADRP C[C@H](C[NH2+]CCC[N@@H+]1CCCO[C@H](C)C1)Cc1ccccc1 ZINC000277548118 427238399 /nfs/dbraw/zinc/23/83/99/427238399.db2.gz QSCJSYKPFPFZGG-ZWKOTPCHSA-N 2 0 304.478 2.956 20 0 DFADRP C[NH+](C)CCCC1CC[NH+](CCCO[C@@H]2CCCCO2)CC1 ZINC000338287772 427239983 /nfs/dbraw/zinc/23/99/83/427239983.db2.gz VXUMBXAZHGKJDD-GOSISDBHSA-N 2 0 312.498 2.974 20 0 DFADRP C[C@@H]([NH2+][C@H]1CCCOCC1)c1ccc(OCC[NH+](C)C)cc1 ZINC000183345782 427251208 /nfs/dbraw/zinc/25/12/08/427251208.db2.gz LXXUNFUXYHJLLV-WBVHZDCISA-N 2 0 306.450 2.847 20 0 DFADRP CC(C)OC[C@@H](C)[NH2+]Cc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC000337348395 271499993 /nfs/dbraw/zinc/49/99/93/271499993.db2.gz YYMUOFBUYOUKIJ-MRXNPFEDSA-N 2 0 320.477 2.546 20 0 DFADRP CC(C)[C@H](C[NH2+]Cc1ccc2occc2c1)N1CC[NH+](C)CC1 ZINC000285502139 427253934 /nfs/dbraw/zinc/25/39/34/427253934.db2.gz QDARNRAOYUPOHD-SFHVURJKSA-N 2 0 315.461 2.794 20 0 DFADRP C[NH+](C)[C@H](CNc1cc(N2CCCC2)ncn1)c1ccsc1 ZINC000277600341 427254596 /nfs/dbraw/zinc/25/45/96/427254596.db2.gz VBVFTDPHNSXREI-CQSZACIVSA-N 2 0 317.462 2.853 20 0 DFADRP Cc1c([C@H](C)[NH2+]CCCN2C[C@@H](C)O[C@@H](C)C2)cnn1C(C)C ZINC000191139461 427263950 /nfs/dbraw/zinc/26/39/50/427263950.db2.gz QZISSFTUCYSXAS-XHSDSOJGSA-N 2 0 322.497 2.922 20 0 DFADRP Cn1cc(CC[N@@H+]2CC[C@@]3(CC[NH+](Cc4ccccc4)C3)C2)cn1 ZINC000285643792 427299656 /nfs/dbraw/zinc/29/96/56/427299656.db2.gz RXDDNUIXOQFWEQ-HXUWFJFHSA-N 2 0 324.472 2.561 20 0 DFADRP C[C@H]1C[N@H+](CCC[NH2+]Cc2cccc3[nH]ccc32)CCCO1 ZINC000277739074 427302707 /nfs/dbraw/zinc/30/27/07/427302707.db2.gz KARRSUZSFIVDJZ-HNNXBMFYSA-N 2 0 301.434 2.758 20 0 DFADRP C[NH+](C)C1CCN(CC[NH2+][C@@H]2CCc3c2c(F)ccc3F)CC1 ZINC000269931169 427309688 /nfs/dbraw/zinc/30/96/88/427309688.db2.gz PGLXFNCMMKHWJK-QGZVFWFLSA-N 2 0 323.431 2.568 20 0 DFADRP C[C@@H](Cc1cccc(Cl)c1)[NH2+]C[C@H](O)C[NH+]1CCC(C)CC1 ZINC000338429143 427315347 /nfs/dbraw/zinc/31/53/47/427315347.db2.gz DHXVMERSEAEWAI-YJBOKZPZSA-N 2 0 324.896 2.953 20 0 DFADRP CCO[C@@H](CC[NH+](C)C)C[NH2+][C@@H](C)c1cnn(C(C)(C)C)c1C ZINC000191334011 427321022 /nfs/dbraw/zinc/32/10/22/427321022.db2.gz PTKVPPRPNYGNCA-HOCLYGCPSA-N 2 0 324.513 2.954 20 0 DFADRP C[N@@H+]1CCC[C@H]1CC[NH+](Cc1ccccc1)[C@@H](CO)C1CC1 ZINC000271049629 427390536 /nfs/dbraw/zinc/39/05/36/427390536.db2.gz WQBUBOKGMJUEEW-OALUTQOASA-N 2 0 302.462 2.744 20 0 DFADRP COc1ccc([C@H](C)[NH2+]CC2=CC[N@H+](C)CC2)c(C)c1OC ZINC000286014972 427401595 /nfs/dbraw/zinc/40/15/95/427401595.db2.gz IIRJZCGPCQCMRE-AWEZNQCLSA-N 2 0 304.434 2.925 20 0 DFADRP c1cc(N2CCC([NH2+][C@@H]3CCOC4(CCC4)C3)CC2)cc[nH+]1 ZINC000297369440 427402854 /nfs/dbraw/zinc/40/28/54/427402854.db2.gz GKRLWKXPDREDJE-MRXNPFEDSA-N 2 0 301.434 2.742 20 0 DFADRP c1cnn(-c2ccc(C[NH2+]CC3CC[NH+](C4CC4)CC3)cc2)c1 ZINC000278112470 427407500 /nfs/dbraw/zinc/40/75/00/427407500.db2.gz BPAMXWHFVRTVMF-UHFFFAOYSA-N 2 0 310.445 2.836 20 0 DFADRP C[N@@H+]1CCC[C@]2(CCN(Cc3ccnn3-c3ccccc3)C2)C1 ZINC000293692119 427408688 /nfs/dbraw/zinc/40/86/88/427408688.db2.gz QSUBZJABFAAWKI-IBGZPJMESA-N 2 0 310.445 2.790 20 0 DFADRP CC(C)[NH+]1CCN(CCC[N@H+](C)CCc2ccc(F)cc2)CC1 ZINC000191459928 427354908 /nfs/dbraw/zinc/35/49/08/427354908.db2.gz YTDWGRUBJSTAOZ-UHFFFAOYSA-N 2 0 321.484 2.716 20 0 DFADRP CC(C)[N@H+](C)Cc1ccccc1CNC(=O)[C@H]1CCC[C@H]([NH3+])C1 ZINC000262310571 427357157 /nfs/dbraw/zinc/35/71/57/427357157.db2.gz SIUKAJNTMZHHMX-YJBOKZPZSA-N 2 0 317.477 2.661 20 0 DFADRP CC(C)[NH+]1CCC(N(C)CC[N@H+](C)Cc2ccccc2)CC1 ZINC000297229642 427365737 /nfs/dbraw/zinc/36/57/37/427365737.db2.gz TZOWAYFRMASJDX-UHFFFAOYSA-N 2 0 303.494 2.923 20 0 DFADRP C[C@H]1CC[N@H+](Cc2cccc3nsnc32)C[C@@H]1n1ccnc1 ZINC000271202138 427447766 /nfs/dbraw/zinc/44/77/66/427447766.db2.gz FOXYXNUMUAWSRQ-WFASDCNBSA-N 2 0 313.430 2.971 20 0 DFADRP C[C@@H](C[NH2+][C@@H](C)CC(=O)Nc1cccc(Cl)c1)C[NH+](C)C ZINC000293824265 427450478 /nfs/dbraw/zinc/45/04/78/427450478.db2.gz WGWRKEFWMHSBLK-STQMWFEESA-N 2 0 311.857 2.844 20 0 DFADRP CCOc1cc(C[NH2+]CC2=CC[N@H+](C)CC2)cc(Cl)c1O ZINC000297826954 427462896 /nfs/dbraw/zinc/46/28/96/427462896.db2.gz ZHXCKEHWIIVUQY-UHFFFAOYSA-N 2 0 310.825 2.796 20 0 DFADRP Cc1nccc(N2CC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2)n1 ZINC000286239816 427464275 /nfs/dbraw/zinc/46/42/75/427464275.db2.gz FHECJGCJUMQNEF-LJQANCHMSA-N 2 0 308.429 2.887 20 0 DFADRP C[C@@H]([NH3+])[C@H](C)C(=O)NC[C@H](c1cccs1)[NH+]1CCC(C)CC1 ZINC000192088030 427476643 /nfs/dbraw/zinc/47/66/43/427476643.db2.gz GTKIMNUQJQSVSP-RRFJBIMHSA-N 2 0 323.506 2.621 20 0 DFADRP C[C@H]([NH3+])[C@H](C)C(=O)NCc1cccc(C[NH+]2CCCCCC2)c1 ZINC000192104296 427480350 /nfs/dbraw/zinc/48/03/50/427480350.db2.gz ZFVSAWITYFCZNF-HOTGVXAUSA-N 2 0 317.477 2.662 20 0 DFADRP C[C@@H](C(=O)NCc1ccc(C[NH+]2CCC(C)CC2)cc1)[C@H](C)[NH3+] ZINC000192094023 427480729 /nfs/dbraw/zinc/48/07/29/427480729.db2.gz RFMIJXPEPRKSPH-CVEARBPZSA-N 2 0 317.477 2.518 20 0 DFADRP CCC[N@@H+]1CC[C@@H](C[NH2+][C@H](C)c2ccccc2-n2ccnn2)C1 ZINC000286297476 427484208 /nfs/dbraw/zinc/48/42/08/427484208.db2.gz WNHZCXDALLDVPZ-CVEARBPZSA-N 2 0 313.449 2.650 20 0 DFADRP CC[NH+](CC)CCC[C@@H](C)[NH2+]Cc1ccc2c(c1)NC(=O)CO2 ZINC000293744141 427424331 /nfs/dbraw/zinc/42/43/31/427424331.db2.gz XMEDCOMJKWFJCF-CQSZACIVSA-N 2 0 319.449 2.618 20 0 DFADRP COC(=O)[C@H]1CCCCN1Cc1ccc(-n2ccnc2)cc1C ZINC000191856302 427435102 /nfs/dbraw/zinc/43/51/02/427435102.db2.gz ZROAZPYAAPIBDX-QGZVFWFLSA-N 2 0 313.401 2.708 20 0 DFADRP CC1(C)OCC[C@H]1[NH2+]C[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000293956457 427502901 /nfs/dbraw/zinc/50/29/01/427502901.db2.gz ZQTRZRFYQBUZLA-ZWKOTPCHSA-N 2 0 302.462 2.708 20 0 DFADRP CCCC[N@@H+]1CCCC[C@H]1CNC(=O)C1CC[NH+](C2CC2)CC1 ZINC000338844416 427517508 /nfs/dbraw/zinc/51/75/08/427517508.db2.gz NNCBUBMAIMMDJB-SFHVURJKSA-N 2 0 321.509 2.632 20 0 DFADRP CCN(CCC[NH+](C)C)C(=O)[C@@H](c1ccccc1)[NH+](CC)CC ZINC000338893804 427543558 /nfs/dbraw/zinc/54/35/58/427543558.db2.gz DCGBZYGDDGISLT-GOSISDBHSA-N 2 0 319.493 2.870 20 0 DFADRP C[C@H]([NH2+][C@@H]1CCO[C@H](c2cncn2C)C1)c1cncc(F)c1 ZINC000279065569 427546563 /nfs/dbraw/zinc/54/65/63/427546563.db2.gz ZQJBBQORFXIPGE-PEYYIBSZSA-N 2 0 304.369 2.525 20 0 DFADRP COc1ccc([C@H](OC)[C@H](C)[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000271460834 427548408 /nfs/dbraw/zinc/54/84/08/427548408.db2.gz HGOWKCOHHPTXAJ-LKCYJCQHSA-N 2 0 318.461 2.988 20 0 DFADRP C[C@@H]1COCC[C@H]1[NH2+]CC1CC[NH+](Cc2ccccc2)CC1 ZINC000192503082 427554028 /nfs/dbraw/zinc/55/40/28/427554028.db2.gz UGXLTPMXILMEIO-VQIMIIECSA-N 2 0 302.462 2.913 20 0 DFADRP CC[N@@H+]1CC[C@@H](C[NH2+][C@@H](C)c2cc3c(C)nn(C)c3s2)C1 ZINC000287259560 427560486 /nfs/dbraw/zinc/56/04/86/427560486.db2.gz AIULONCJUKTLAJ-STQMWFEESA-N 2 0 306.479 2.936 20 0 DFADRP CCC[C@H]([NH2+]C[C@@H](C(C)C)N1CC[NH+](C)CC1)c1cccnc1 ZINC000184976864 427572204 /nfs/dbraw/zinc/57/22/04/427572204.db2.gz AGOFNLOWVJFEMB-OALUTQOASA-N 2 0 318.509 2.784 20 0 DFADRP CN(C)C1(C[NH2+]C2CCN(c3cc[nH+]cc3)CC2)CCCC1 ZINC000298327897 427573280 /nfs/dbraw/zinc/57/32/80/427573280.db2.gz ISCJKKRXBOMVIC-UHFFFAOYSA-N 2 0 302.466 2.514 20 0 DFADRP CCc1oc(C[NH2+]C2CCC(C[NH+](C)C)CC2)cc1C(=O)OC ZINC000338940202 427574561 /nfs/dbraw/zinc/57/45/61/427574561.db2.gz VBSOQGHBZSCSAE-UHFFFAOYSA-N 2 0 322.449 2.839 20 0 DFADRP COc1cc2c(cc1CNC1C[C@H]3CC[C@@H](C1)[N@H+]3C)O[C@H](C)C2 ZINC000192647099 427580749 /nfs/dbraw/zinc/58/07/49/427580749.db2.gz KUKHUISZROIOQQ-FCLXEUQJSA-N 2 0 316.445 2.733 20 0 DFADRP Cc1ccc([C@H](O)C[NH2+]C2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC000294247270 427598584 /nfs/dbraw/zinc/59/85/84/427598584.db2.gz PSMWHMNIHXHSAR-LJQANCHMSA-N 2 0 311.429 2.682 20 0 DFADRP CC(C)[NH+]1CCC(NC[C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000192927601 427634454 /nfs/dbraw/zinc/63/44/54/427634454.db2.gz JQUHTMCONVBNHY-LJQANCHMSA-N 2 0 315.505 2.971 20 0 DFADRP Cc1nc2ccccc2n1C[C@H]1CCC[N@H+]1CCc1cncn1C ZINC000298512937 427634665 /nfs/dbraw/zinc/63/46/65/427634665.db2.gz QZJJPJXYHKMDTP-QGZVFWFLSA-N 2 0 323.444 2.785 20 0 DFADRP CC[N@@H+]1CC[C@H]([NH2+]Cc2cccc(NC(=O)OC)c2)[C@@H](C)C1 ZINC000287565499 427639544 /nfs/dbraw/zinc/63/95/44/427639544.db2.gz QIQMXCBGOGRUHL-BBRMVZONSA-N 2 0 305.422 2.685 20 0 DFADRP CC[N@@H+]1CC[C@@H]([NH2+]Cc2cccc(NC(=O)OC)c2)[C@H](C)C1 ZINC000287565508 427640104 /nfs/dbraw/zinc/64/01/04/427640104.db2.gz QIQMXCBGOGRUHL-CZUORRHYSA-N 2 0 305.422 2.685 20 0 DFADRP CC[N@@H+]1CC[C@H]([NH+](C)C[C@H](O)Cc2cccc(Cl)c2)[C@H](C)C1 ZINC000287566183 427640499 /nfs/dbraw/zinc/64/04/99/427640499.db2.gz BLMBBTRRWCEOAC-OLMNPRSZSA-N 2 0 324.896 2.906 20 0 DFADRP CCC[C@@H]([NH2+]CCCN1CCC[N@H+](C)CC1)c1cccnc1 ZINC000185366675 427642957 /nfs/dbraw/zinc/64/29/57/427642957.db2.gz FNHBPIQQHYLAGS-GOSISDBHSA-N 2 0 304.482 2.540 20 0 DFADRP C[C@H]1CN(CCC[NH2+]Cc2cc(Cl)cs2)C[C@H](C)O1 ZINC000192989870 427645649 /nfs/dbraw/zinc/64/56/49/427645649.db2.gz DQGQIXGZKYMFSQ-RYUDHWBXSA-N 2 0 302.871 2.990 20 0 DFADRP C[C@H]1C[N@H+](C)CC[C@@H]1NCc1ccc(OC(F)F)c(F)c1 ZINC000339066547 427658102 /nfs/dbraw/zinc/65/81/02/427658102.db2.gz FUYNYUUJYXZTCD-GWCFXTLKSA-N 2 0 302.340 2.857 20 0 DFADRP c1cnn(Cc2ccc(C[NH2+][C@@H]3CC[N@@H+]4CCC[C@@H]4C3)cc2)c1 ZINC000339072138 427660912 /nfs/dbraw/zinc/66/09/12/427660912.db2.gz TXGROKIMTFVVCJ-RTBURBONSA-N 2 0 310.445 2.648 20 0 DFADRP C[C@H]1CC(C)(C)C[C@H]1[NH2+]Cc1ccncc1OCC[NH+](C)C ZINC000342413695 272007772 /nfs/dbraw/zinc/00/77/72/272007772.db2.gz IWTMZBCFNXLBOV-GOEBONIOSA-N 2 0 305.466 2.936 20 0 DFADRP C[C@H](O)C[N@H+](C)C1CCN(C[C@H]2CCC3(CCCCC3)O2)CC1 ZINC000342628322 272033043 /nfs/dbraw/zinc/03/30/43/272033043.db2.gz FXXIRLKNPVVKQD-FUHWJXTLSA-N 2 0 324.509 2.645 20 0 DFADRP CC[NH+](CC)[C@H](CNC(=O)[C@@H]1CCC[NH2+][C@H]1C)c1ccsc1 ZINC000342765240 272052133 /nfs/dbraw/zinc/05/21/33/272052133.db2.gz MZJUZIVBWAAVRA-NUEKZKHPSA-N 2 0 323.506 2.635 20 0 DFADRP CC(C)(C)[NH+]1CCC([NH2+]CCc2ccc3c[nH]nc3c2)CC1 ZINC000342814100 272057106 /nfs/dbraw/zinc/05/71/06/272057106.db2.gz VKEUTYBJTGYPFD-UHFFFAOYSA-N 2 0 300.450 2.958 20 0 DFADRP C[C@H]1CN(C)C[C@H]1[NH2+]Cc1ccccc1C[NH+]1CCCCC1 ZINC000343031782 272077728 /nfs/dbraw/zinc/07/77/28/272077728.db2.gz BTRMXBSIPBAXTG-QFBILLFUSA-N 2 0 301.478 2.712 20 0 DFADRP OC[C@H]1CCC[N@@H+]1CCCC[NH2+]Cc1sccc1Cl ZINC000193097119 427666777 /nfs/dbraw/zinc/66/67/77/427666777.db2.gz RJPQAVCOROYBIP-GFCCVEGCSA-N 2 0 302.871 2.728 20 0 DFADRP Cc1ccnc(N(C)CCN2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000343249355 272104413 /nfs/dbraw/zinc/10/44/13/272104413.db2.gz KEXQRWLALDHJFE-UHFFFAOYSA-N 2 0 324.472 2.644 20 0 DFADRP COC(=O)c1occc1C[NH2+]CCCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000343563066 272171765 /nfs/dbraw/zinc/17/17/65/272171765.db2.gz GCJYRDUHHBQSEK-GJZGRUSLSA-N 2 0 322.449 2.914 20 0 DFADRP CCC[C@@H](C)NC(=O)[C@@H](C)[NH+]1CCC(C[NH+](CC)CC)CC1 ZINC000343573122 272173496 /nfs/dbraw/zinc/17/34/96/272173496.db2.gz AWEGAPGNLPKTPP-HZPDHXFCSA-N 2 0 311.514 2.734 20 0 DFADRP CCC[NH+](CCC)CCCC(=O)N1C[C@H]2CCCC[N@@H+]2C[C@H]1C ZINC000343676419 272199207 /nfs/dbraw/zinc/19/92/07/272199207.db2.gz TXERJIWOIMJLDG-QZTJIDSGSA-N 2 0 323.525 2.974 20 0 DFADRP CCOC(=O)C1CCC([NH2+]C2CC[NH+](C3CCC3)CC2)CC1 ZINC000343764200 272214578 /nfs/dbraw/zinc/21/45/78/272214578.db2.gz KETLNFWMWPWYPB-UHFFFAOYSA-N 2 0 308.466 2.715 20 0 DFADRP O[C@@H](C[NH+]1CCC(CCC[NH+]2CCCC2)CC1)c1cccnc1 ZINC000295065166 427680258 /nfs/dbraw/zinc/68/02/58/427680258.db2.gz ZBUCASLPJKJOHS-IBGZPJMESA-N 2 0 317.477 2.703 20 0 DFADRP CN(CCC[N@H+](C)[C@@H]1CCCc2ccccc21)CC[NH+](C)C ZINC000344009691 272248873 /nfs/dbraw/zinc/24/88/73/272248873.db2.gz BJXMMDMSISAOKH-LJQANCHMSA-N 2 0 303.494 2.879 20 0 DFADRP C[C@@H](c1ccc(F)c(F)c1)[N@H+](C)CCCN(C)CC[NH+](C)C ZINC000344026919 272251922 /nfs/dbraw/zinc/25/19/22/272251922.db2.gz KCWOBBQADZYKOO-AWEZNQCLSA-N 2 0 313.436 2.841 20 0 DFADRP CCc1c(C)[nH+]c2ccccc2c1NCCN1CC[NH+](C)CC1 ZINC000272237482 427681510 /nfs/dbraw/zinc/68/15/10/427681510.db2.gz QEYSZXMUSUECJB-UHFFFAOYSA-N 2 0 312.461 2.765 20 0 DFADRP C[N@@H+]1CCCN(CCC[NH2+][C@@H]2CCCc3ccc(F)cc32)CC1 ZINC000344161130 272277418 /nfs/dbraw/zinc/27/74/18/272277418.db2.gz GDVHDCZYXYZJMK-LJQANCHMSA-N 2 0 319.468 2.820 20 0 DFADRP C[N@@H+]1CCC[C@H]1CC[NH+]1CC[C@@](CO)(Cc2ccc(F)cc2)C1 ZINC000344171403 272279504 /nfs/dbraw/zinc/27/95/04/272279504.db2.gz RVTYITIDCQMCGX-RBUKOAKNSA-N 2 0 320.452 2.537 20 0 DFADRP COC(=O)c1ccc(C[NH2+]Cc2cc(-n3ccnc3)cs2)o1 ZINC000344234485 272293000 /nfs/dbraw/zinc/29/30/00/272293000.db2.gz UKHCBNDOYNPSTF-UHFFFAOYSA-N 2 0 317.370 2.603 20 0 DFADRP CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)[C@H]2CC[NH+](C)[C@H](C)C2)C1 ZINC000344243735 272296039 /nfs/dbraw/zinc/29/60/39/272296039.db2.gz VSYAONYXTUKSJT-ZACQAIPSSA-N 2 0 323.525 2.734 20 0 DFADRP C[NH+](C)CCCOc1ccc(C[NH2+]CC[C@H]2CCOC2)cc1 ZINC000344268166 272301785 /nfs/dbraw/zinc/30/17/85/272301785.db2.gz LMVWNLOBZAFFLE-KRWDZBQOSA-N 2 0 306.450 2.533 20 0 DFADRP C[C@@H](c1ccccc1)[N@@H+]1CC[C@H](N[C@H]2CC[NH+](C)C[C@H]2C)C1 ZINC000344278130 272303411 /nfs/dbraw/zinc/30/34/11/272303411.db2.gz XBYXBEBOHFIPCO-NEPXVJNWSA-N 2 0 301.478 2.752 20 0 DFADRP Cn1c2c(nc1[C@H]1CCCN1CC[C@H]1CCC[N@@H+]1C)CCCC2 ZINC000344362669 272321000 /nfs/dbraw/zinc/32/10/00/272321000.db2.gz IQHJKDQPEGEBRO-CRAIPNDOSA-N 2 0 316.493 2.920 20 0 DFADRP O[C@]1(CNCc2ccc(F)cc2)CC[N@H+](Cc2ccccc2)C1 ZINC000344549809 272336183 /nfs/dbraw/zinc/33/61/83/272336183.db2.gz PEVAFMIGXFZIDQ-IBGZPJMESA-N 2 0 314.404 2.552 20 0 DFADRP C[C@H](C(=O)NC[C@@H](C1CCCCC1)[NH+](C)C)[NH+]1CCCCCC1 ZINC000344593446 272343447 /nfs/dbraw/zinc/34/34/47/272343447.db2.gz DLJCKLORWQKHKZ-AEFFLSMTSA-N 2 0 323.525 2.878 20 0 DFADRP C[C@H]1CCCC[N@@H+]1CCC(=O)N1CC[NH+](C2CCC2)C[C@H](C)C1 ZINC000344719598 272360067 /nfs/dbraw/zinc/36/00/67/272360067.db2.gz YMHDFVGOSHJPIE-IRXDYDNUSA-N 2 0 321.509 2.584 20 0 DFADRP C[C@@H](C(=O)N1CC[N@@H+](C2CCC2)C[C@H](C)C1)[NH+]1[C@H](C)CC[C@H]1C ZINC000344718925 272360165 /nfs/dbraw/zinc/36/01/65/272360165.db2.gz GAFDADRLVPMXEQ-HZMVEIRTSA-N 2 0 321.509 2.581 20 0 DFADRP CC[NH+](CC)CC1CCN(C(=O)[C@H](C)[NH+]2CCCCCC2)CC1 ZINC000344796633 272370703 /nfs/dbraw/zinc/37/07/03/272370703.db2.gz UPARPFNIXPHMQC-KRWDZBQOSA-N 2 0 323.525 2.831 20 0 DFADRP COc1ccncc1CN1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000287777747 427690247 /nfs/dbraw/zinc/69/02/47/427690247.db2.gz NHEDNYJUERBHKW-PBHICJAKSA-N 2 0 301.434 2.539 20 0 DFADRP COc1cc([C@H](C)[NH2+]CCCCn2ccnc2C)c(F)cn1 ZINC000287799033 427693725 /nfs/dbraw/zinc/69/37/25/427693725.db2.gz TZWBHKRCBZFOBG-LBPRGKRZSA-N 2 0 306.385 2.865 20 0 DFADRP C[C@H](Cn1cccn1)[NH2+]CC1CC[NH+](Cc2ccccc2)CC1 ZINC000345175400 272421792 /nfs/dbraw/zinc/42/17/92/272421792.db2.gz WSIKSINIWJIRSM-QGZVFWFLSA-N 2 0 312.461 2.773 20 0 DFADRP Cc1nc[nH]c1CC(=O)NCC(C)(C)[NH2+][C@H](C)c1ccccc1 ZINC000279567966 427703905 /nfs/dbraw/zinc/70/39/05/427703905.db2.gz ZETPYQHORZMSBO-CYBMUJFWSA-N 2 0 314.433 2.506 20 0 DFADRP O=C(CCn1ccnc1)Nc1ccc2c(c1)nc1n2CCCCC1 ZINC000298815544 427710143 /nfs/dbraw/zinc/71/01/43/427710143.db2.gz WYKJSQZLNMWJFS-UHFFFAOYSA-N 2 0 323.400 2.988 20 0 DFADRP CC[NH+](CC)CCC[NH2+][C@H](C)C1CCN(CC(F)(F)F)CC1 ZINC000339163663 427710887 /nfs/dbraw/zinc/71/08/87/427710887.db2.gz DSUHLHOTMFQMLT-CQSZACIVSA-N 2 0 323.447 2.971 20 0 DFADRP COC(=O)CCC[C@@H]1CCC[C@H]([NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)C1 ZINC000339180678 427719377 /nfs/dbraw/zinc/71/93/77/427719377.db2.gz DDTCBMOHXLXLNH-ULQDDVLXSA-N 2 0 322.493 2.962 20 0 DFADRP CC[NH+]1CCN([C@H](C)C[NH2+]Cc2cc(C)cc(Cl)c2)CC1 ZINC000339185038 427720684 /nfs/dbraw/zinc/72/06/84/427720684.db2.gz VJLVZDYIEYTHPD-OAHLLOKOSA-N 2 0 309.885 2.764 20 0 DFADRP C[N@H+](CCCNC(=O)C[C@H]1CCCC[C@@H]1[NH3+])C1CCCCC1 ZINC000336864993 427766185 /nfs/dbraw/zinc/76/61/85/427766185.db2.gz HPVWPYDCPFMNKH-WBVHZDCISA-N 2 0 309.498 2.665 20 0 DFADRP CC[C@H](C)C[N@H+](Cc1nccn1CC)[C@H]1CC12CC[NH2+]CC2 ZINC000339407385 427769301 /nfs/dbraw/zinc/76/93/01/427769301.db2.gz KFJBOIZYBYKFOF-HOTGVXAUSA-N 2 0 304.482 2.893 20 0 DFADRP CC[N@@H+]1CC[C@H](N[C@H](C)[C@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC000336896256 427772569 /nfs/dbraw/zinc/77/25/69/427772569.db2.gz NULOFTDVTDMVAH-NEWSRXKRSA-N 2 0 301.478 2.581 20 0 DFADRP CC[N@@H+]1CC[C@H](N[C@H](C)[C@@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC000336896258 427772628 /nfs/dbraw/zinc/77/26/28/427772628.db2.gz NULOFTDVTDMVAH-QRQLOZEOSA-N 2 0 301.478 2.581 20 0 DFADRP C[C@@H]1CCC[C@H](C[NH2+]C[C@H](O)CN2CCc3ccccc3C2)C1 ZINC000339546838 427791239 /nfs/dbraw/zinc/79/12/39/427791239.db2.gz LQSFVNONYHKAKI-UWVAXJGDSA-N 2 0 316.489 2.822 20 0 DFADRP Cc1ccc(NC(=O)CN2CC[C@@]3(C2)CCC[N@@H+](C)C3)cc1C ZINC000339433319 427773956 /nfs/dbraw/zinc/77/39/56/427773956.db2.gz NUMBYZBNEQMPAG-IBGZPJMESA-N 2 0 315.461 2.660 20 0 DFADRP COC(=O)c1oc([C@@H](C)N2CC[C@@]3(C2)CCC[N@H+](C)C3)cc1C ZINC000339433056 427773988 /nfs/dbraw/zinc/77/39/88/427773988.db2.gz IYDWVELPQLQBJO-KDOFPFPSSA-N 2 0 320.433 2.853 20 0 DFADRP Cc1nccnc1CC[NH2+]C1CCN(Cc2ccccc2)CC1 ZINC000339530318 427789110 /nfs/dbraw/zinc/78/91/10/427789110.db2.gz LZUOQHFHVWOOFJ-UHFFFAOYSA-N 2 0 310.445 2.582 20 0 DFADRP CSc1ccc(C[NH2+][C@H](C)CCN2CC[NH+](C)CC2)cc1 ZINC000185880667 427725264 /nfs/dbraw/zinc/72/52/64/427725264.db2.gz MZGHHVZXYLIFJW-OAHLLOKOSA-N 2 0 307.507 2.524 20 0 DFADRP CCc1nocc1C[NH2+]Cc1ccc(OCCC[NH+](C)C)cc1 ZINC000339224517 427736193 /nfs/dbraw/zinc/73/61/93/427736193.db2.gz BIAIHEHKNAHEOT-UHFFFAOYSA-N 2 0 317.433 2.857 20 0 DFADRP CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)C23CCC[NH+]2CCC3)C1 ZINC000339270987 427745901 /nfs/dbraw/zinc/74/59/01/427745901.db2.gz KLSKGKGTCWJALI-MRXNPFEDSA-N 2 0 321.509 2.632 20 0 DFADRP C[C@H]([NH2+][C@H]1CCN(C2CC2)C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000336656325 427746650 /nfs/dbraw/zinc/74/66/50/427746650.db2.gz MAAGTHUAWMUGNF-UHOSZYNNSA-N 2 0 313.489 2.723 20 0 DFADRP COCCN1CCC[C@H]1C[NH2+][C@@H](c1ccc(F)cc1)C1CC1 ZINC000359398430 427835510 /nfs/dbraw/zinc/83/55/10/427835510.db2.gz ZAFRSYUJGHLTOV-ZWKOTPCHSA-N 2 0 306.425 2.977 20 0 DFADRP CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)C[C@@H]1C ZINC000359408061 427839977 /nfs/dbraw/zinc/83/99/77/427839977.db2.gz JWPSYFHWKNUAHZ-ZOFXXKQRSA-N 2 0 308.466 2.571 20 0 DFADRP CC(C)OC[C@@H](C)[NH2+]Cc1ccccc1C[N@@H+]1CCC[C@H]1CO ZINC000337321641 427843765 /nfs/dbraw/zinc/84/37/65/427843765.db2.gz ZOYYTHCKJYASJT-APWZRJJASA-N 2 0 320.477 2.546 20 0 DFADRP C[C@H]1C[N@H+](C)CC[C@H]1[NH2+]CCc1cccc(C(F)(F)F)n1 ZINC000340436637 427847603 /nfs/dbraw/zinc/84/76/03/427847603.db2.gz SPJHFXDSVJZOPF-WCQYABFASA-N 2 0 301.356 2.573 20 0 DFADRP C[C@@H](C(=O)NCC(C)(C)[NH+]1CCCCC1)[NH+]1CCCCCC1 ZINC000345674759 427854755 /nfs/dbraw/zinc/85/47/55/427854755.db2.gz YQVBYTIRBLNWDW-INIZCTEOSA-N 2 0 309.498 2.632 20 0 DFADRP COCCN1CCC[C@@H]1C[NH2+][C@H]1CCC[C@@H](c2cccnc2)C1 ZINC000337343049 427854947 /nfs/dbraw/zinc/85/49/47/427854947.db2.gz RXVPYKZXWNLHKN-NZSAHSFTSA-N 2 0 317.477 2.808 20 0 DFADRP COc1cc2c(cc1F)[nH+]ccc2N1CCC([NH+](C)C)CC1 ZINC000359447639 427857103 /nfs/dbraw/zinc/85/71/03/427857103.db2.gz KHRQBDKRWNJPSE-UHFFFAOYSA-N 2 0 303.381 2.913 20 0 DFADRP CC(C)(C)[C@@H]1CC[C@@H]1[NH2+]C[C@H](O)CN1CCc2ccccc2C1 ZINC000340506027 427868217 /nfs/dbraw/zinc/86/82/17/427868217.db2.gz QWDHZJKOLGDMDA-OTWHNJEPSA-N 2 0 316.489 2.820 20 0 DFADRP C[C@@H]1CCC[C@H]([NH2+]CCN2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000302795930 427872292 /nfs/dbraw/zinc/87/22/92/427872292.db2.gz IPVSAGSLWMRAMD-QUCCMNQESA-N 2 0 315.505 2.973 20 0 DFADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]CC2(COC)CCC2)[C@@H](C)C1 ZINC000337377668 427873392 /nfs/dbraw/zinc/87/33/92/427873392.db2.gz BUDKEVFMLFUMPA-IRXDYDNUSA-N 2 0 312.498 2.530 20 0 DFADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NCC[NH+]1CCCC1 ZINC000359508807 427882105 /nfs/dbraw/zinc/88/21/05/427882105.db2.gz HMEZHPJQNWPSIE-IEBWSBKVSA-N 2 0 301.478 2.582 20 0 DFADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)[C@@H]2CCCC[C@@]2(C)[NH3+])C1 ZINC000345745830 427885825 /nfs/dbraw/zinc/88/58/25/427885825.db2.gz ATFSPKUUVRFTFF-MJQMVNBJSA-N 2 0 323.525 2.768 20 0 DFADRP CC(C)[C@@H](C(=O)N(C)CC[C@@H]1CCCC[N@@H+]1C)[NH+]1CCCCC1 ZINC000359519177 427887819 /nfs/dbraw/zinc/88/78/19/427887819.db2.gz RDSOECUCXBNBHO-ROUUACIJSA-N 2 0 323.525 2.830 20 0 DFADRP Cc1cc2ncn(C[C@H](O)C[N@H+]3CCC[C@@H](C)C3)c2cc1C ZINC000303098404 427897961 /nfs/dbraw/zinc/89/79/61/427897961.db2.gz XSASUYWVXWUHHO-CZUORRHYSA-N 2 0 301.434 2.746 20 0 DFADRP CC[C@@H](C(=O)NCCC[N@H+]1C[C@H](C)C[C@H](C)C1)[NH+](CC)CC ZINC000345783141 427902633 /nfs/dbraw/zinc/90/26/33/427902633.db2.gz JPGYRZOYSCAWLH-BBWFWOEESA-N 2 0 311.514 2.591 20 0 DFADRP CC[C@H](C)[NH2+][C@H](CNC(=O)C[NH+]1CCC(C)CC1)c1ccco1 ZINC000359549380 427903800 /nfs/dbraw/zinc/90/38/00/427903800.db2.gz VTMODBJTZYQVGA-JKSUJKDBSA-N 2 0 321.465 2.557 20 0 DFADRP CC[NH+]1CCC(N(C)Cc2cn3cc(Cl)ccc3n2)CC1 ZINC000349975418 427914057 /nfs/dbraw/zinc/91/40/57/427914057.db2.gz RNDUXYFGBJWRSM-UHFFFAOYSA-N 2 0 306.841 2.904 20 0 DFADRP CC[C@H](C(=O)NC[C@@H](c1ccc(C)cc1)[NH+](C)C)[NH+](CC)CC ZINC000345815548 427918748 /nfs/dbraw/zinc/91/87/48/427918748.db2.gz WHBALRDGNKQADL-MSOLQXFVSA-N 2 0 319.493 2.834 20 0 DFADRP CC[C@@H](Cn1cncn1)[NH2+]Cc1cccc(C[NH+](CC)CC)c1 ZINC000340477045 427859477 /nfs/dbraw/zinc/85/94/77/427859477.db2.gz WLMKHVNRXWSFQR-SFHVURJKSA-N 2 0 315.465 2.688 20 0 DFADRP c1nc2ccccc2n1-c1ccc(C[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000359457209 427860306 /nfs/dbraw/zinc/86/03/06/427860306.db2.gz IHWFEDIJVITRQT-CALCHBBNSA-N 2 0 318.424 2.677 20 0 DFADRP FC1(F)CC[C@@H](C[NH+]2CCC(OCC[NH+]3CCCC3)CC2)C1 ZINC000340280827 427974113 /nfs/dbraw/zinc/97/41/13/427974113.db2.gz FHACQBXFXCVMEZ-OAHLLOKOSA-N 2 0 316.436 2.999 20 0 DFADRP C[C@H](CCc1ccc2c(c1)OCO2)[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000337599531 427975205 /nfs/dbraw/zinc/97/52/05/427975205.db2.gz MYYAOARHSQXFEJ-OIISXLGYSA-N 2 0 316.445 2.953 20 0 DFADRP Cc1cnc(CNC[C@@H]2CCC[N@H+](C)[C@@H]2c2cccs2)n1C ZINC000341048019 427978586 /nfs/dbraw/zinc/97/85/86/427978586.db2.gz RPIURCZXBRTLAD-YOEHRIQHSA-N 2 0 318.490 2.963 20 0 DFADRP Cc1cnc(CNC[C@H]2CCC[N@H+](C)[C@@H]2c2cccs2)n1C ZINC000341048015 427979064 /nfs/dbraw/zinc/97/90/64/427979064.db2.gz RPIURCZXBRTLAD-PBHICJAKSA-N 2 0 318.490 2.963 20 0 DFADRP Cc1cnc(CNC[C@H](c2ccc(C)cc2)[NH+]2CCCC2)n1C ZINC000341055570 427983895 /nfs/dbraw/zinc/98/38/95/427983895.db2.gz XOCKGHDBOXOAKD-GOSISDBHSA-N 2 0 312.461 2.964 20 0 DFADRP CCN(CCCNC(=O)C[C@@H]1CCC[C@@H]1[NH3+])c1ccccc1 ZINC000340113680 427928693 /nfs/dbraw/zinc/92/86/93/427928693.db2.gz NJDNXUYCXCSSFQ-RDJZCZTQSA-N 2 0 303.450 2.537 20 0 DFADRP CC[C@@H](C(=O)N(CC[NH+](C)C)c1ccccc1)[NH+](CC)CC ZINC000359596868 427929844 /nfs/dbraw/zinc/92/98/44/427929844.db2.gz OXDRVFKXURXPMU-KRWDZBQOSA-N 2 0 305.466 2.702 20 0 DFADRP CC[NH+](CC)CCCC1CC[NH+](Cc2cnc(N)s2)CC1 ZINC000340712444 427934369 /nfs/dbraw/zinc/93/43/69/427934369.db2.gz KMKPPXGUOWJNAR-UHFFFAOYSA-N 2 0 310.511 3.059 20 0 DFADRP CC(C)[NH+]1CCC(O)(C[NH2+][C@@H](C)CCCC(F)(F)F)CC1 ZINC000359643110 427949766 /nfs/dbraw/zinc/94/97/66/427949766.db2.gz UMPBYNWTGZYYSN-ZDUSSCGKSA-N 2 0 310.404 2.932 20 0 DFADRP Cc1cc(N(C)C[C@@H]2C[C@H](F)CN2Cc2cccs2)ncn1 ZINC000359644507 427952311 /nfs/dbraw/zinc/95/23/11/427952311.db2.gz WIGSKUJYWLAAGE-KBPBESRZSA-N 2 0 320.437 2.895 20 0 DFADRP CSC1(C[NH2+]C2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)CCC1 ZINC000356121829 428029485 /nfs/dbraw/zinc/02/94/85/428029485.db2.gz KSBMWDUACSBXEM-HOTGVXAUSA-N 2 0 312.523 2.630 20 0 DFADRP C[C@H](O)C[C@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000341332934 428035588 /nfs/dbraw/zinc/03/55/88/428035588.db2.gz XSRTWAQJFREQBA-KDEOWCQBSA-N 2 0 302.462 2.931 20 0 DFADRP C[C@H](C(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)[NH+]1CCCCCC1 ZINC000341342985 428040709 /nfs/dbraw/zinc/04/07/09/428040709.db2.gz GSFKGDIGSJVHSP-CVEARBPZSA-N 2 0 311.514 2.734 20 0 DFADRP CC(C)[C@H]1C[C@@H]([NH2+]Cc2cccnc2-n2ccnc2)CS1 ZINC000377015411 428040979 /nfs/dbraw/zinc/04/09/79/428040979.db2.gz XHWSCADTVZKWHW-HUUCEWRRSA-N 2 0 302.447 2.887 20 0 DFADRP CC[C@@H]1C[N@H+](CCCCn2ccnc2C)C[C@]2(CCCOC2)O1 ZINC000369714879 428042464 /nfs/dbraw/zinc/04/24/64/428042464.db2.gz MOOXGVWEQKKGTF-MSOLQXFVSA-N 2 0 321.465 2.632 20 0 DFADRP C[C@@H]1C[C@H](CC[NH2+][C@@H]2CC[N@H+](C[C@H]3CCCO3)C[C@@H]2C)CCO1 ZINC000359864198 428051639 /nfs/dbraw/zinc/05/16/39/428051639.db2.gz AUYVWWHSBBVSTB-UURKPOQGSA-N 2 0 324.509 2.671 20 0 DFADRP CCC[N@H+](CC)C[C@@H](C)NC(=O)[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC000359741039 427997814 /nfs/dbraw/zinc/99/78/14/427997814.db2.gz BWNNHURVPWFWGC-IAGOWNOFSA-N 2 0 323.525 2.878 20 0 DFADRP C[C@@H]([NH2+]C[C@@]1(O)CCN(C)C1)c1ccc(F)c2ccccc21 ZINC000340357738 427997991 /nfs/dbraw/zinc/99/79/91/427997991.db2.gz IDUSFJLXWHYDPE-ACJLOTCBSA-N 2 0 302.393 2.696 20 0 DFADRP C[N@H+](C[C@@H]1CC12CC[NH+](Cc1ccc(CO)cc1)CC2)C1CC1 ZINC000376824649 428006836 /nfs/dbraw/zinc/00/68/36/428006836.db2.gz XKCGWVMOZXIVNV-SFHVURJKSA-N 2 0 314.473 2.875 20 0 DFADRP CCC[N@H+](CC)C[C@@H](C)NC(=O)C1(C[NH+](C)C)CCCCC1 ZINC000359776145 428015808 /nfs/dbraw/zinc/01/58/08/428015808.db2.gz VREFZBPIDDNBDN-MRXNPFEDSA-N 2 0 311.514 2.735 20 0 DFADRP CC[N@H+](C)C[C@@H]1CC[NH+](Cc2cc(-n3ccnc3)cs2)C1 ZINC000346225705 428078360 /nfs/dbraw/zinc/07/83/60/428078360.db2.gz SIXCVTCNIBQVKC-AWEZNQCLSA-N 2 0 304.463 2.707 20 0 DFADRP CCCCNC(=O)CC[N@@H+]1CCC[C@@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000341525393 428090509 /nfs/dbraw/zinc/09/05/09/428090509.db2.gz YATPUHLHCDPHJX-QZTJIDSGSA-N 2 0 323.525 2.879 20 0 DFADRP c1cn(-c2ccc(C[N@@H+]3CCOCC4(CCCC4)C3)cn2)cn1 ZINC000377252891 428092682 /nfs/dbraw/zinc/09/26/82/428092682.db2.gz BTPAANWPMIHKFA-UHFFFAOYSA-N 2 0 312.417 2.660 20 0 DFADRP Cc1cnc(CN2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)o1 ZINC000377337837 428107928 /nfs/dbraw/zinc/10/79/28/428107928.db2.gz QLTUFSBPLDFDCV-ZWKOTPCHSA-N 2 0 311.429 2.937 20 0 DFADRP CC[NH+](CC)C[C@H]1CCN(Cc2nc3cccnc3s2)C1 ZINC000341573671 428109671 /nfs/dbraw/zinc/10/96/71/428109671.db2.gz JAASZQUCBSTPOR-CYBMUJFWSA-N 2 0 304.463 2.855 20 0 DFADRP CCSCCC[NH2+][C@@H]1CC[N@H+](C[C@H]2CCCO2)C[C@@H]1C ZINC000360000369 428110885 /nfs/dbraw/zinc/11/08/85/428110885.db2.gz RRIXJRWSKWSYLH-ARFHVFGLSA-N 2 0 300.512 2.609 20 0 DFADRP C[C@@H]([NH3+])[C@@H]1CC[N@H+](CCc2nc(-c3cccc(Cl)c3)no2)C1 ZINC000351860492 428114059 /nfs/dbraw/zinc/11/40/59/428114059.db2.gz ISVCTVPWCGDRJJ-DGCLKSJQSA-N 2 0 320.824 2.602 20 0 DFADRP CC[C@@H](C(=O)N[C@@H](C[N@H+](C)Cc1ccccc1)C(C)C)[NH+](C)C ZINC000413717079 428117632 /nfs/dbraw/zinc/11/76/32/428117632.db2.gz VLBCSKFDAWYRAB-ROUUACIJSA-N 2 0 319.493 2.599 20 0 DFADRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@@H]1CCC[C@@H]([C@H]2CCOC2)C1 ZINC000341401005 428062907 /nfs/dbraw/zinc/06/29/07/428062907.db2.gz KPJOZPLTZZVFHP-XMTFNYHQSA-N 2 0 312.498 2.528 20 0 DFADRP C[C@@H]1[C@@H]([NH2+][C@H]2CCCN(Cc3ccccc3)C2)CCCN1C ZINC000346344369 428134670 /nfs/dbraw/zinc/13/46/70/428134670.db2.gz WIRYYGWCUOINED-NEWSRXKRSA-N 2 0 301.478 2.723 20 0 DFADRP CC[N@@H+]1CC[C@H](N(C)C(=O)[C@@H](C)[NH+]2CCCCCC2)C[C@@H]1C ZINC000346346620 428137122 /nfs/dbraw/zinc/13/71/22/428137122.db2.gz XHYPTOSUIVEJBK-BBWFWOEESA-N 2 0 309.498 2.582 20 0 DFADRP CC(C)[C@H](C)[NH2+]CCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000360070583 428142423 /nfs/dbraw/zinc/14/24/23/428142423.db2.gz FSBMUOCNPAIFOL-SFHVURJKSA-N 2 0 303.494 2.828 20 0 DFADRP CCC[NH+]1CCC([NH2+][C@H]2CCc3nc(C(C)(C)C)cn3C2)CC1 ZINC000360157773 428184640 /nfs/dbraw/zinc/18/46/40/428184640.db2.gz WERUDHDTYNHBIT-INIZCTEOSA-N 2 0 318.509 2.959 20 0 DFADRP CCO[C@@H](CC[NH+](C)C)C[NH2+]CCc1ccc(F)cc1Cl ZINC000356406062 428163616 /nfs/dbraw/zinc/16/36/16/428163616.db2.gz FBEOVNOJJISKIW-HNNXBMFYSA-N 2 0 316.848 2.968 20 0 DFADRP CC[N@@H+]1C[C@H](C)N(CC[NH+](C)Cc2ccc(F)cc2)C[C@@H]1C ZINC000360114628 428167621 /nfs/dbraw/zinc/16/76/21/428167621.db2.gz HZLXISVFZOWYGK-HOTGVXAUSA-N 2 0 307.457 2.672 20 0 DFADRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H]2CCCSC2)[C@H](C)C1 ZINC000352633521 428174945 /nfs/dbraw/zinc/17/49/45/428174945.db2.gz OXYWOUFXTWPSHG-PMPSAXMXSA-N 2 0 300.512 2.609 20 0 DFADRP CC[N@@H+]1CC[C@H]([NH+](C)CCOCC(F)(F)C(F)F)C[C@H]1C ZINC000346444924 428175066 /nfs/dbraw/zinc/17/50/66/428175066.db2.gz MLMRBDXGFMMXNH-NEPJUHHUSA-N 2 0 314.367 2.708 20 0 DFADRP COc1ccc([C@@H](C)[NH2+][C@@H](C)CCN2CCOCC2)c(C)c1 ZINC000414106338 428207324 /nfs/dbraw/zinc/20/73/24/428207324.db2.gz XKEQPMVMAMEHJT-JKSUJKDBSA-N 2 0 306.450 2.765 20 0 DFADRP CC[C@H]1CCCC[N@@H+]1CCNC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC000360217534 428208280 /nfs/dbraw/zinc/20/82/80/428208280.db2.gz GPVKWAYMGNHPRH-IRXDYDNUSA-N 2 0 309.498 2.632 20 0 DFADRP CC[C@H]([NH2+]Cc1ccccc1C[N@@H+]1CC[C@H](O)C1)[C@H]1C[C@H]1C ZINC000414105357 428208764 /nfs/dbraw/zinc/20/87/64/428208764.db2.gz GPYGQUFAKRPGJP-FCLVOEFKSA-N 2 0 302.462 2.777 20 0 DFADRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@H]1C[C@@H](OC(C)(C)C)C1(C)C ZINC000414118228 428212168 /nfs/dbraw/zinc/21/21/68/428212168.db2.gz UTYIZKDSGZBNFY-OWCLPIDISA-N 2 0 314.514 2.915 20 0 DFADRP C[N@@H+]1CCC[C@@H]1CC[NH+]1C[C@@H](c2ccc(Cl)cc2)[C@H](CO)C1 ZINC000352770615 428240813 /nfs/dbraw/zinc/24/08/13/428240813.db2.gz NEUZNUPYPRCJBV-JQHSSLGASA-N 2 0 322.880 2.832 20 0 DFADRP C[C@@]1(C[NH2+]C2CC[NH+](CCc3ccccc3)CC2)CCOC1 ZINC000360244865 428218998 /nfs/dbraw/zinc/21/89/98/428218998.db2.gz HUSSWYXYFBKDPY-IBGZPJMESA-N 2 0 302.462 2.710 20 0 DFADRP C([NH+]1C[C@H]2CCCC[C@H]21)C1(C[N@@H+]2C[C@H]3CCCC[C@H]32)COC1 ZINC000377768264 428222991 /nfs/dbraw/zinc/22/29/91/428222991.db2.gz PVFCXFXBRGGDKV-BRSBDYLESA-N 2 0 304.478 2.752 20 0 DFADRP CCO[C@H]1C[C@H]([NH2+]C2CC[NH+](C3CCC3)CC2)C12CCOCC2 ZINC000346574932 428224204 /nfs/dbraw/zinc/22/42/04/428224204.db2.gz QCUQSJNFORQPBX-ROUUACIJSA-N 2 0 322.493 2.567 20 0 DFADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]C2CCC(OC)CC2)[C@H](C)C1 ZINC000414180216 428227134 /nfs/dbraw/zinc/22/71/34/428227134.db2.gz LLENMVKYZBATIC-CPFNUKBASA-N 2 0 312.498 2.671 20 0 DFADRP Cc1nccn1CCCC[N@@H+]1CCC[C@@](O)(C(F)(F)F)CC1 ZINC000370553610 428237883 /nfs/dbraw/zinc/23/78/83/428237883.db2.gz HWRUEKWKRZOBBD-AWEZNQCLSA-N 2 0 319.371 2.751 20 0 DFADRP CCc1ccc(C[NH2+]Cc2ccc(OCC[NH+](C)C)cc2)cn1 ZINC000352768874 428239587 /nfs/dbraw/zinc/23/95/87/428239587.db2.gz GTUGNKOLJFSCFN-UHFFFAOYSA-N 2 0 313.445 2.874 20 0 DFADRP Cc1cccc(C[N@H+]2CCCC[C@H](N3CCN(C)CC3)C2)c1C ZINC000377698336 428198147 /nfs/dbraw/zinc/19/81/47/428198147.db2.gz MKQQWUXZRRNTQU-FQEVSTJZSA-N 2 0 315.505 2.905 20 0 DFADRP C[C@@H]1CN(C2CC2)C[C@H]1[NH2+][C@H](CN1CCCC1)c1ccccc1 ZINC000352684550 428203876 /nfs/dbraw/zinc/20/38/76/428203876.db2.gz ORSDYPMQPBEESB-NSISKUIASA-N 2 0 313.489 2.896 20 0 DFADRP C[C@@H]1C[C@H](C[NH3+])C[N@@H+]1Cc1ccccc1OCc1ccccn1 ZINC000346678544 428271565 /nfs/dbraw/zinc/27/15/65/428271565.db2.gz LRKPLTPPZMOCMZ-HZPDHXFCSA-N 2 0 311.429 2.830 20 0 DFADRP CCC(CC)(CC)C[N@@H+]1CCC[C@@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000346684450 428272908 /nfs/dbraw/zinc/27/29/08/428272908.db2.gz PUXHTIQGJIYJHW-DLBZAZTESA-N 2 0 323.525 2.783 20 0 DFADRP Cc1nn(-c2ccc(F)cc2)c(C)c1C[N@H+]1C[C@@H](C[NH3+])C[C@H]1C ZINC000346689740 428273244 /nfs/dbraw/zinc/27/32/44/428273244.db2.gz SOJZKRHCEXLHAY-IUODEOHRSA-N 2 0 316.424 2.797 20 0 DFADRP CCC(CC)(CC)C[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000346684455 428274514 /nfs/dbraw/zinc/27/45/14/428274514.db2.gz PUXHTIQGJIYJHW-SJORKVTESA-N 2 0 323.525 2.783 20 0 DFADRP C[C@H]([NH3+])[C@@H]1CC[N@H+](Cc2ccccc2OCc2ccccn2)C1 ZINC000346692538 428276193 /nfs/dbraw/zinc/27/61/93/428276193.db2.gz ZSVNDWAVDNDHCU-JKSUJKDBSA-N 2 0 311.429 2.830 20 0 DFADRP CCN1C[C@H](C)[C@H]([NH2+][C@@H]2C[C@@H](C)N(Cc3ccccc3)C2)C1 ZINC000346699839 428279968 /nfs/dbraw/zinc/27/99/68/428279968.db2.gz DXAYTGDSYOYKCQ-QFHJOOASSA-N 2 0 301.478 2.579 20 0 DFADRP CCN1CC[NH+](CCCC[NH2+]C[C@H]2CC(C)=C[C@H](C)C2)CC1 ZINC000352855616 428282776 /nfs/dbraw/zinc/28/27/76/428282776.db2.gz TVYBCNJZKCPXFF-PKOBYXMFSA-N 2 0 307.526 2.986 20 0 DFADRP Cc1ccccc1[C@H](C)[NH+]1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000370732879 428285752 /nfs/dbraw/zinc/28/57/52/428285752.db2.gz SJHLHRKJLSHNRW-ZWKOTPCHSA-N 2 0 301.478 2.768 20 0 DFADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC[C@H](C1CC1)[NH+](C)C ZINC000360414203 428287660 /nfs/dbraw/zinc/28/76/60/428287660.db2.gz ORYFURPKKPLSBW-NSISKUIASA-N 3 0 315.505 2.827 20 0 DFADRP Cc1ccccc1C[NH+]1CCC(N[C@H]2CC[N@@H+](C)C[C@H]2C)CC1 ZINC000360415039 428288745 /nfs/dbraw/zinc/28/87/45/428288745.db2.gz VASHGEKKWPVYML-XLIONFOSSA-N 2 0 315.505 2.889 20 0 DFADRP C[C@H]1C[N@H+](C)CC[C@H]1[NH2+]Cc1ccnc(N2CCCCC2)c1 ZINC000360428494 428293716 /nfs/dbraw/zinc/29/37/16/428293716.db2.gz NXORGPDJGPSGKZ-DOTOQJQBSA-N 2 0 302.466 2.502 20 0 DFADRP C[NH2+]CCC1CC[NH+](Cc2cc(OC)cc3c2O[C@@H](C)C3)CC1 ZINC000346628107 428247016 /nfs/dbraw/zinc/24/70/16/428247016.db2.gz ANKXXVBTNZDBLQ-AWEZNQCLSA-N 2 0 318.461 2.840 20 0 DFADRP Cc1nn(-c2ccc(F)cc2)c(C)c1C[N@H+]1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000346631805 428249614 /nfs/dbraw/zinc/24/96/14/428249614.db2.gz CLJRWHUBONXJOX-DOMZBBRYSA-N 2 0 316.424 2.797 20 0 DFADRP CC1=C[C@H](C)C[C@@H](C[NH2+][C@H](CC(C)C)C(=O)NCC[NH+](C)C)C1 ZINC000352799462 428255089 /nfs/dbraw/zinc/25/50/89/428255089.db2.gz OHHJUDODSJFOHZ-CGTJXYLNSA-N 2 0 323.525 2.661 20 0 DFADRP Cc1ccc([C@@H](C)[NH2+][C@@H]2CCN(C3CC[NH+](C)CC3)C2)cc1 ZINC000370637199 428259470 /nfs/dbraw/zinc/25/94/70/428259470.db2.gz UDTOJMNIGLIIJD-SJLPKXTDSA-N 2 0 301.478 2.814 20 0 DFADRP COc1cc(C[NH+]2CCC(C[NH3+])CC2)c(SC)cc1OC ZINC000346660387 428261548 /nfs/dbraw/zinc/26/15/48/428261548.db2.gz MWFYSBUCJURTLN-UHFFFAOYSA-N 2 0 310.463 2.596 20 0 DFADRP CC[NH+](CC)[C@H](CNC(=O)[C@@]1(CC)CC[NH2+]C1)c1ccsc1 ZINC000370847314 428306782 /nfs/dbraw/zinc/30/67/82/428306782.db2.gz RAGNYQMEQVZSOW-WBVHZDCISA-N 2 0 323.506 2.637 20 0 DFADRP C[C@@H]1CCC[N@@H+]1C1CCN(C[C@@H](O)c2ccc(F)cc2)CC1 ZINC000370883201 428314412 /nfs/dbraw/zinc/31/44/12/428314412.db2.gz GNIDKAKBKCJHPZ-RDTXWAMCSA-N 2 0 306.425 2.808 20 0 DFADRP C[N@H+](CCc1ccc2c(c1)OCCO2)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000352921735 428314536 /nfs/dbraw/zinc/31/45/36/428314536.db2.gz KZNFSBNDRSSPGH-SJPCQFCGSA-N 2 0 316.445 2.557 20 0 DFADRP CC1=C[C@H](C)C[C@H](C[N@@H+]2CCC[C@H](CN3CC[NH+](C)CC3)C2)C1 ZINC000378126018 428315274 /nfs/dbraw/zinc/31/52/74/428315274.db2.gz AARGBPUSSBRYQQ-SXLOBPIMSA-N 2 0 319.537 2.938 20 0 DFADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]CCc1ccc(F)c(F)c1F ZINC000346801508 428321095 /nfs/dbraw/zinc/32/10/95/428321095.db2.gz SQGYJVUGLKFWKY-GYSYKLTISA-N 2 0 300.368 2.965 20 0 DFADRP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]CCCOCCOCc1ccccc1 ZINC000356825799 428324500 /nfs/dbraw/zinc/32/45/00/428324500.db2.gz ATUZLVPSCQQVGO-IEBWSBKVSA-N 2 0 320.477 2.540 20 0 DFADRP COc1ccc([C@@H]2CCC[N@@H+]2C[C@H]2CCC[NH2+]C2)cc1OC ZINC000346837221 428339275 /nfs/dbraw/zinc/33/92/75/428339275.db2.gz PQJGXBAXEIFCFS-HOCLYGCPSA-N 2 0 304.434 2.840 20 0 DFADRP COc1ccc(CC2CC[NH+](C[C@@H]3CCC[NH2+]C3)CC2)cc1 ZINC000346842256 428342221 /nfs/dbraw/zinc/34/22/21/428342221.db2.gz HVXGJRRJJAQTEZ-GOSISDBHSA-N 2 0 302.462 2.949 20 0 DFADRP [NH3+][C@@H]1CCC[C@H]2C[N@H+](Cc3c[nH]nc3-c3cccs3)C[C@@H]21 ZINC000346840330 428342441 /nfs/dbraw/zinc/34/24/41/428342441.db2.gz ZXNBWLMIBYDNKD-FPMFFAJLSA-N 2 0 302.447 2.697 20 0 DFADRP CC(C)[C@H]1[NH2+]CC[C@H]1c1nc(-c2ccc(C[NH+](C)C)cc2)no1 ZINC000356881314 428346932 /nfs/dbraw/zinc/34/69/32/428346932.db2.gz HSRLOKLIBHSRJW-HZPDHXFCSA-N 2 0 314.433 2.900 20 0 DFADRP C[N@H+](CCc1cccc(NC(=O)C2CC[NH+](C)CC2)c1)C1CC1 ZINC000342209301 428350871 /nfs/dbraw/zinc/35/08/71/428350871.db2.gz DEZCQHZYISYGDE-UHFFFAOYSA-N 2 0 315.461 2.604 20 0 DFADRP C[C@H]([NH2+]CC[C@@H]1CCOC1)c1cccc(OCC[NH+](C)C)c1 ZINC000346877019 428354551 /nfs/dbraw/zinc/35/45/51/428354551.db2.gz RONJPKVFPYJJKM-JKSUJKDBSA-N 2 0 306.450 2.704 20 0 DFADRP C[C@H]1[NH2+]CCC[C@H]1c1nc(-c2ccc(C[NH+](C)C)cc2)no1 ZINC000414620849 428354687 /nfs/dbraw/zinc/35/46/87/428354687.db2.gz LNXFQYBCVARBQW-IUODEOHRSA-N 2 0 300.406 2.654 20 0 DFADRP C[C@@H]1C[N@H+](C)CC[C@H]1N(C)Cc1cccc2c1OC(F)(F)O2 ZINC000414444573 428299277 /nfs/dbraw/zinc/29/92/77/428299277.db2.gz QAVUSCBGOAUROT-DGCLKSJQSA-N 2 0 312.360 2.780 20 0 DFADRP Clc1ccc(-c2n[nH]cc2CN2CC[C@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000357103880 428389456 /nfs/dbraw/zinc/38/94/56/428389456.db2.gz JSJXCBOTWMAFIU-KBPBESRZSA-N 2 0 316.836 2.771 20 0 DFADRP CC[N@@H+](Cc1ccc(OC)cc1OC)C[C@H]1CC[NH2+][C@@H](C)C1 ZINC000414735112 428390052 /nfs/dbraw/zinc/39/00/52/428390052.db2.gz BXUNOHTXSDPCSE-GJZGRUSLSA-N 2 0 306.450 2.914 20 0 DFADRP Clc1ccc(-c2n[nH]cc2CN2CC[C@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC000357103882 428390231 /nfs/dbraw/zinc/39/02/31/428390231.db2.gz JSJXCBOTWMAFIU-UONOGXRCSA-N 2 0 316.836 2.771 20 0 DFADRP c1ccc(OCc2cccnc2)c(CN2CC[C@@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000357106256 428390763 /nfs/dbraw/zinc/39/07/63/428390763.db2.gz QDGNVJQYOXSEPP-IEBWSBKVSA-N 2 0 323.440 2.702 20 0 DFADRP C[C@H]1C[C@H](C[NH+]2CCC(NC(=O)C3CCCCC3)CC2)CC[NH2+]1 ZINC000414737734 428391556 /nfs/dbraw/zinc/39/15/56/428391556.db2.gz DLNSBSZKQXNSOR-JKSUJKDBSA-N 2 0 321.509 2.535 20 0 DFADRP C[C@@H]1C[C@H](CN2CC[NH2+]C[C@@H]2c2ccccc2Cl)CC[NH2+]1 ZINC000414746361 428393883 /nfs/dbraw/zinc/39/38/83/428393883.db2.gz ZDSVMGOJXDWDQZ-CKEIUWERSA-N 2 0 307.869 2.674 20 0 DFADRP Cc1ccc(-c2n[nH]cc2C[N@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)cc1 ZINC000414768070 428396834 /nfs/dbraw/zinc/39/68/34/428396834.db2.gz LCENEQSPMSZVFT-CALCHBBNSA-N 2 0 310.445 2.817 20 0 DFADRP Cc1nc(COc2ccc(C[N@@H+](C)C3CC([NH3+])C3)cc2)cs1 ZINC000414768761 428397029 /nfs/dbraw/zinc/39/70/29/428397029.db2.gz IVVCLIVCOWRGCP-UHFFFAOYSA-N 2 0 317.458 2.952 20 0 DFADRP Fc1ccc2nc(C[N@H+]3CC[C@H]4C[NH2+]C[C@H]4CC3)sc2c1 ZINC000414766238 428397408 /nfs/dbraw/zinc/39/74/08/428397408.db2.gz HHQIVUIQRYKHPT-TXEJJXNPSA-N 2 0 305.422 2.867 20 0 DFADRP C[C@H](c1ccccc1)N(C)C(=O)C[N@H+](C)C[C@H]1CC[NH2+][C@H](C)C1 ZINC000414764717 428398930 /nfs/dbraw/zinc/39/89/30/428398930.db2.gz OUFZBHXEKBYLMW-ZACQAIPSSA-N 2 0 317.477 2.526 20 0 DFADRP OCCC[N@H+](C[C@H]1CCC[NH2+]C1)[C@@H]1CCCc2ccccc21 ZINC000346994681 428400633 /nfs/dbraw/zinc/40/06/33/428400633.db2.gz UXRAOQGNIKCXJM-QFBILLFUSA-N 2 0 302.462 2.748 20 0 DFADRP O[C@H]1C[NH2+]C[C@H]1C[NH2+]Cc1ccc(-c2cccc(Cl)c2)s1 ZINC000414775219 428401537 /nfs/dbraw/zinc/40/15/37/428401537.db2.gz BPOKHAYUGFIUJZ-DOMZBBRYSA-N 2 0 322.861 2.738 20 0 DFADRP COc1cc(C[N@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)ccc1OC(C)C ZINC000414772114 428401594 /nfs/dbraw/zinc/40/15/94/428401594.db2.gz SWWXGUYHHVXDHO-CALCHBBNSA-N 2 0 318.461 2.914 20 0 DFADRP Cc1cccc2c(NC[C@H](C)C[NH+]3CCOCC3)c(C)c[nH+]c12 ZINC000360695280 428403256 /nfs/dbraw/zinc/40/32/56/428403256.db2.gz OXIPKFANLIGWHW-AWEZNQCLSA-N 2 0 313.445 2.654 20 0 DFADRP [NH3+]C[C@H]1C[N@H+](C/C=C/c2ccc(F)cc2F)CC12CCOCC2 ZINC000414780922 428403893 /nfs/dbraw/zinc/40/38/93/428403893.db2.gz MDKNMEKRCFFISA-YLSAJCSVSA-N 2 0 322.399 2.665 20 0 DFADRP c1sc(C[NH2+]CCCN2CC[NH2+]CC2)cc1-c1ccccc1 ZINC000414780699 428404556 /nfs/dbraw/zinc/40/45/56/428404556.db2.gz LXNOKZAROKNEAE-UHFFFAOYSA-N 2 0 315.486 2.800 20 0 DFADRP Clc1ccc2nc(C[N@@H+]3CCC[C@H]([C@@H]4CC[NH2+]C4)C3)cn2c1 ZINC000414780367 428404684 /nfs/dbraw/zinc/40/46/84/428404684.db2.gz LKLNUTKXLQLKGE-KGLIPLIRSA-N 2 0 318.852 2.809 20 0 DFADRP CCN(CC)c1ncc(C[N@@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)s1 ZINC000414778566 428405110 /nfs/dbraw/zinc/40/51/10/428405110.db2.gz JCMGGNQXVUGYGD-LSDHHAIUSA-N 2 0 322.522 2.811 20 0 DFADRP c1cc(N2CCCC2)ncc1C[N@@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000414785727 428406363 /nfs/dbraw/zinc/40/63/63/428406363.db2.gz TUTJEAGZCHCDRS-ROUUACIJSA-N 2 0 314.477 2.503 20 0 DFADRP Cn1cc(C[N@@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)c(C(C)(C)C)n1 ZINC000414782718 428406449 /nfs/dbraw/zinc/40/64/49/428406449.db2.gz ORYUXMYJLLUXJW-GJZGRUSLSA-N 2 0 304.482 2.539 20 0 DFADRP Cc1ccc(NC(=O)C[C@H](C)[NH2+]C2CC[NH2+]CC2)cc1Cl ZINC000414785679 428406915 /nfs/dbraw/zinc/40/69/15/428406915.db2.gz VWSREHRPHJSOSQ-LBPRGKRZSA-N 2 0 309.841 2.707 20 0 DFADRP CC(C)c1ccccc1NC(=O)C[C@H](C)[NH2+]C1CC[NH2+]CC1 ZINC000414784880 428407424 /nfs/dbraw/zinc/40/74/24/428407424.db2.gz UDWUSLJKQLHHGS-AWEZNQCLSA-N 2 0 303.450 2.869 20 0 DFADRP Cc1ccc(NC(=O)C[C@@H](C)[NH2+]C[C@H]([NH3+])C(C)C)c(Cl)c1 ZINC000414788681 428409343 /nfs/dbraw/zinc/40/93/43/428409343.db2.gz DSVADYKPGDRPTK-OCCSQVGLSA-N 2 0 311.857 2.938 20 0 DFADRP [NH3+]C[C@H]1C[N@H+](Cc2cc3cc(F)ccc3o2)CC12CCOCC2 ZINC000414788095 428411367 /nfs/dbraw/zinc/41/13/67/428411367.db2.gz WFFQPWOMDXYMLF-AWEZNQCLSA-N 2 0 318.392 2.759 20 0 DFADRP [NH3+]C1(c2noc(CCn3c4ccccc4nc3C3CC3)n2)CCC1 ZINC000414628495 428358194 /nfs/dbraw/zinc/35/81/94/428358194.db2.gz OSTVKDWUJZMVAM-UHFFFAOYSA-N 2 0 323.400 2.877 20 0 DFADRP COCCCC[N@H+](C)[C@@H]1CCC[NH+](CCCCOC)CC1 ZINC000371097386 428359822 /nfs/dbraw/zinc/35/98/22/428359822.db2.gz BOCTTXDMXHBUSP-QGZVFWFLSA-N 2 0 300.487 2.626 20 0 DFADRP CC[C@@H](C)NC(=[NH2+])NCC1CC[NH+](CCc2ccccc2)CC1 ZINC000360604800 428365060 /nfs/dbraw/zinc/36/50/60/428365060.db2.gz QKGRTQHCLWGZTG-MRXNPFEDSA-N 2 0 316.493 2.854 20 0 DFADRP CN(c1ccccc1C[NH2+][C@H]1C[C@@H]1C(F)F)C1CC[NH+](C)CC1 ZINC000342242723 428365976 /nfs/dbraw/zinc/36/59/76/428365976.db2.gz WKHBKFSVUMKAIF-HOTGVXAUSA-N 2 0 323.431 2.960 20 0 DFADRP CCC[NH+]1CCN(C2CC[NH+](Cc3ccsc3)CC2)CC1 ZINC000378342315 428369074 /nfs/dbraw/zinc/36/90/74/428369074.db2.gz ODLFHJYMJBVOEG-UHFFFAOYSA-N 2 0 307.507 2.740 20 0 DFADRP C[C@H](c1ccccc1Cl)[N@H+](C)C[C@@H]1CCCN(C(=O)C[NH3+])C1 ZINC000414669066 428369811 /nfs/dbraw/zinc/36/98/11/428369811.db2.gz BEMTXNBNZNYQFL-KGLIPLIRSA-N 2 0 323.868 2.530 20 0 DFADRP CC1CC[NH+](CCN2CC[C@@H]([N@H+](C)Cc3ccccc3)C2)CC1 ZINC000372038758 428413498 /nfs/dbraw/zinc/41/34/98/428413498.db2.gz YJPDQMSOXVHBSW-HXUWFJFHSA-N 2 0 315.505 2.925 20 0 DFADRP c1cc(N2CCCC2)ncc1C[NH+]1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000357049404 428374508 /nfs/dbraw/zinc/37/45/08/428374508.db2.gz KYHOSGZVUWVGJF-GOSISDBHSA-N 2 0 314.477 2.503 20 0 DFADRP C[C@@H]1C[C@H](C[N@@H+]2CCC[C@@H](C[NH+]3CCCC[C@@H]3C)C2)CC[NH2+]1 ZINC000414689841 428374965 /nfs/dbraw/zinc/37/49/65/428374965.db2.gz LWFPFIMMNXYTOI-FCGDIQPGSA-N 3 0 307.526 2.961 20 0 DFADRP C[C@@H]1C[C@@H](C[N@H+](CCO)[C@@H]2CCCc3ccccc32)CC[NH2+]1 ZINC000414690217 428375803 /nfs/dbraw/zinc/37/58/03/428375803.db2.gz HKOZDMFVDHMDRL-JTDSTZFVSA-N 2 0 302.462 2.746 20 0 DFADRP [NH3+]CC(=O)N1CCC[C@@H](C[N@@H+]2CCC[C@@H]2CC2CCCCC2)C1 ZINC000414687781 428376033 /nfs/dbraw/zinc/37/60/33/428376033.db2.gz IBGRHJAZYPZDFO-ZWKOTPCHSA-N 2 0 321.509 2.619 20 0 DFADRP COCC[N@H+](CCOc1ccc(F)cc1)C[C@H]1CC[NH2+][C@@H](C)C1 ZINC000414688776 428376312 /nfs/dbraw/zinc/37/63/12/428376312.db2.gz DYBSMIJLLYDDIP-HOTGVXAUSA-N 2 0 324.440 2.541 20 0 DFADRP CC[N@H+](C[C@@H]1CC[NH2+][C@@H](C)C1)[C@H]1CCN(c2ccccc2)C1=O ZINC000414693869 428378088 /nfs/dbraw/zinc/37/80/88/428378088.db2.gz MMJGRZXZBAABAW-JZXOWHBKSA-N 2 0 315.461 2.502 20 0 DFADRP COc1cccc(NC2CC[NH+](C[C@H]3CC[NH2+][C@@H](C)C3)CC2)c1 ZINC000414708326 428380706 /nfs/dbraw/zinc/38/07/06/428380706.db2.gz ZSVXFODUWCDFKU-HOTGVXAUSA-N 2 0 317.477 2.960 20 0 DFADRP CC(C)[C@H](CO)[N@@H+](Cc1ccccc1)C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000414704412 428381038 /nfs/dbraw/zinc/38/10/38/428381038.db2.gz NFRPODQLQQKTFQ-QRQLOZEOSA-N 2 0 304.478 2.894 20 0 DFADRP [NH3+]CCOCC[N@@H+]1CCC[C@@H]1c1cccc(Br)c1 ZINC000357089985 428381857 /nfs/dbraw/zinc/38/18/57/428381857.db2.gz QKYOARDIDHRMSK-CQSZACIVSA-N 2 0 313.239 2.561 20 0 DFADRP CC[N@H+](C[C@@H]1CC[NH2+][C@@H](C)C1)[C@H](COC)Cc1ccccc1 ZINC000414708754 428382040 /nfs/dbraw/zinc/38/20/40/428382040.db2.gz PHBHLDCRFNHCKB-UHOSZYNNSA-N 2 0 304.478 2.954 20 0 DFADRP C[C@@H]1C[C@H](C[N@H+](CCc2ccccc2)[C@H]2CCOC2)CC[NH2+]1 ZINC000414715188 428383802 /nfs/dbraw/zinc/38/38/02/428383802.db2.gz WDXIMUJCAPGLOH-QRQLOZEOSA-N 2 0 302.462 2.708 20 0 DFADRP C[C@@H]1C[C@H](C[N@H+](CCc2ccccc2)[C@@H]2CCOC2)CC[NH2+]1 ZINC000414714980 428384072 /nfs/dbraw/zinc/38/40/72/428384072.db2.gz WDXIMUJCAPGLOH-BHIYHBOVSA-N 2 0 302.462 2.708 20 0 DFADRP C[N@H+](Cc1ccccc1NC(=O)NCC[NH3+])C1CCCCC1 ZINC000414713905 428384275 /nfs/dbraw/zinc/38/42/75/428384275.db2.gz PGRHDUXJTQNDEE-UHFFFAOYSA-N 2 0 304.438 2.531 20 0 DFADRP Cc1cccc(NC(=O)[C@@H](C)[NH+]2CCC([C@H]3CC[NH2+]C3)CC2)c1 ZINC000357092789 428385536 /nfs/dbraw/zinc/38/55/36/428385536.db2.gz XMPLJOPBJJWTRS-WBVHZDCISA-N 2 0 315.461 2.644 20 0 DFADRP CC[NH+]1CCN(c2ccccc2C[NH2+][C@@H]2CC[C@H](F)C2)CC1 ZINC000342291772 428387120 /nfs/dbraw/zinc/38/71/20/428387120.db2.gz NRSUTXZUVODMIY-DLBZAZTESA-N 2 0 305.441 2.809 20 0 DFADRP Cc1nn(-c2cccc(F)c2)cc1C[NH2+]CC[C@H]1CCC[NH2+]C1 ZINC000414848417 428433601 /nfs/dbraw/zinc/43/36/01/428433601.db2.gz WYIGSWVGQCBROT-OAHLLOKOSA-N 2 0 316.424 2.799 20 0 DFADRP C[NH2+]C[C@H](C)C[NH2+]Cc1cn(C)nc1-c1ccccc1Cl ZINC000414845777 428433714 /nfs/dbraw/zinc/43/37/14/428433714.db2.gz SSDMVUQTRCCWIS-LBPRGKRZSA-N 2 0 306.841 2.686 20 0 DFADRP C[C@@H]([NH2+]Cc1cc(Cl)c2c(c1)OCCCO2)[C@@H]1CCC[NH2+]C1 ZINC000414858316 428434769 /nfs/dbraw/zinc/43/47/69/428434769.db2.gz RIFBFNYABMBPHZ-TZMCWYRMSA-N 2 0 324.852 2.979 20 0 DFADRP CC[NH+]1CCN(c2ccccc2C[N@@H+]2CCCSCC2)CC1 ZINC000357212705 428437198 /nfs/dbraw/zinc/43/71/98/428437198.db2.gz KNCBXSXQYSPLPI-UHFFFAOYSA-N 2 0 319.518 2.767 20 0 DFADRP COc1cc(C[NH2+]C[C@H](C)C[NH3+])ccc1OCc1ccccc1 ZINC000414869643 428438960 /nfs/dbraw/zinc/43/89/60/428438960.db2.gz BBCMBQCDMAVVJJ-OAHLLOKOSA-N 2 0 314.429 2.959 20 0 DFADRP CCOc1cc(CN[C@H]2CCC[NH2+]C2)ccc1OCC(C)C ZINC000414874091 428440174 /nfs/dbraw/zinc/44/01/74/428440174.db2.gz YJFTVAUEXXWMOT-INIZCTEOSA-N 2 0 306.450 2.962 20 0 DFADRP Cc1ccc(Cl)cc1NC(=O)C[C@@H](C)[NH2+]CC1([NH3+])CCC1 ZINC000414881470 428443825 /nfs/dbraw/zinc/44/38/25/428443825.db2.gz SIVQVQXIBOOZTJ-GFCCVEGCSA-N 2 0 309.841 2.837 20 0 DFADRP C[NH2+]CC1CC[NH+](Cc2c(F)cccc2N2CCCC2)CC1 ZINC000347100551 428444954 /nfs/dbraw/zinc/44/49/54/428444954.db2.gz LJHNOMCURJGQGK-UHFFFAOYSA-N 2 0 305.441 2.857 20 0 DFADRP CSC[C@H](CCO)[NH2+][C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000357232344 428445191 /nfs/dbraw/zinc/44/51/91/428445191.db2.gz NTBKFALWPOROAK-SZMVWBNQSA-N 2 0 322.518 2.601 20 0 DFADRP C[C@H](C[NH3+])C[NH2+][C@H](C)Cc1ccc(Br)cc1F ZINC000414887147 428446128 /nfs/dbraw/zinc/44/61/28/428446128.db2.gz YXCPSXZDQVDOMS-NXEZZACHSA-N 2 0 303.219 2.704 20 0 DFADRP C[C@@H]([NH2+]CCOC(F)(F)F)c1cccc(OCC[NH+](C)C)c1 ZINC000353242755 428447007 /nfs/dbraw/zinc/44/70/07/428447007.db2.gz JGQNOPATWHTUAP-GFCCVEGCSA-N 2 0 320.355 2.814 20 0 DFADRP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+]1CCC[C@@H]1[C@H]1CCCO1 ZINC000342845833 428470341 /nfs/dbraw/zinc/47/03/41/428470341.db2.gz XUQMOTSOFTZQJF-QZTJIDSGSA-N 2 0 312.417 2.719 20 0 DFADRP C[C@@H]([NH2+]CCCN1CCC[N@H+](C)CC1)C1CCC(F)(F)CC1 ZINC000353244362 428448120 /nfs/dbraw/zinc/44/81/20/428448120.db2.gz QEEJCMJVBROZKJ-OAHLLOKOSA-N 2 0 317.468 2.818 20 0 DFADRP CCOc1cc(C[NH2+]C[C@@H]2CC[NH2+]C2)ccc1OCC(C)C ZINC000414900669 428450789 /nfs/dbraw/zinc/45/07/89/428450789.db2.gz FCLMPHXCQPNQGB-MRXNPFEDSA-N 2 0 306.450 2.819 20 0 DFADRP CCCOc1cc(C[NH2+]CC2(C)CC[NH2+]CC2)ccc1OC ZINC000414902628 428451388 /nfs/dbraw/zinc/45/13/88/428451388.db2.gz KFKOOGNOUHQENC-UHFFFAOYSA-N 2 0 306.450 2.963 20 0 DFADRP C[C@@H](CC(=O)Nc1ccc(F)cc1)[NH2+]C[C@@]1(C)CCC[NH2+]C1 ZINC000414906557 428452815 /nfs/dbraw/zinc/45/28/15/428452815.db2.gz MGXNWSSVSXUQCS-GUYCJALGSA-N 2 0 307.413 2.522 20 0 DFADRP Cc1cccc(NC(=O)C[C@@H](C)[NH2+]CC[C@H]2CCC[NH2+]2)c1C ZINC000414904439 428452947 /nfs/dbraw/zinc/45/29/47/428452947.db2.gz LJPBWAXQEOGZTF-GDBMZVCRSA-N 2 0 303.450 2.752 20 0 DFADRP [NH3+][C@@H]1CCC[C@H](NC2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000414910479 428454335 /nfs/dbraw/zinc/45/43/35/428454335.db2.gz CWVVMCQWEUXFCP-MJGOQNOKSA-N 3 0 301.478 2.553 20 0 DFADRP Clc1cc(C[NH2+][C@H]2CCC[NH2+]CC2)cc2c1OCCCO2 ZINC000414909372 428454353 /nfs/dbraw/zinc/45/43/53/428454353.db2.gz DJNSZRFESUHWSW-ZDUSSCGKSA-N 2 0 310.825 2.733 20 0 DFADRP CC[C@H](Cn1cncn1)[NH2+][C@@H]1CCCC[C@H]1C[NH+](CC)CC ZINC000353258822 428455556 /nfs/dbraw/zinc/45/55/56/428455556.db2.gz RSMGRLUSCROKFJ-GVDBMIGSSA-N 2 0 307.486 2.547 20 0 DFADRP COc1ccc(OC(F)F)c(C[NH2+][C@@H]2CCC[C@@H]([NH3+])C2)c1 ZINC000414911259 428455780 /nfs/dbraw/zinc/45/57/80/428455780.db2.gz DQCBMFPKCPBJDG-VXGBXAGGSA-N 2 0 300.349 2.656 20 0 DFADRP C[C@H](CCc1ccc2c(c1)OCO2)[NH2+]C[C@]1(C)CCC[NH2+]C1 ZINC000414919321 428456440 /nfs/dbraw/zinc/45/64/40/428456440.db2.gz WRRIEZULWYPDQU-RDTXWAMCSA-N 2 0 304.434 2.716 20 0 DFADRP C[C@H](CC(=O)Nc1cccc(F)c1)[NH2+]C[C@]1(C)CCC[NH2+]C1 ZINC000414920372 428457722 /nfs/dbraw/zinc/45/77/22/428457722.db2.gz ZEWUPMRDWNIBSZ-CXAGYDPISA-N 2 0 307.413 2.522 20 0 DFADRP Clc1ccccc1CN1CCC([NH2+]C[C@@H]2CC[NH2+]C2)CC1 ZINC000414916221 428457737 /nfs/dbraw/zinc/45/77/37/428457737.db2.gz PBVRMETUWGLHDL-CQSZACIVSA-N 2 0 307.869 2.504 20 0 DFADRP COc1ccc(C[NH2+][C@H]2CCC[C@@H]([NH3+])C2)cc1OC(F)F ZINC000414924312 428459005 /nfs/dbraw/zinc/45/90/05/428459005.db2.gz JTDBRDKYPCLGPY-NEPJUHHUSA-N 2 0 300.349 2.656 20 0 DFADRP CC(=O)Nc1ccc(C[N@@H+]2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)cc1 ZINC000386768834 428459476 /nfs/dbraw/zinc/45/94/76/428459476.db2.gz HHJVVQSPBHAAPC-WMZOPIPTSA-N 2 0 301.434 2.609 20 0 DFADRP CC[C@H](N[C@H]1CC[N@H+](C)[C@H](C)C1)c1nnc2n1CCCCC2 ZINC000360850137 428462093 /nfs/dbraw/zinc/46/20/93/428462093.db2.gz BCNFEXHTAWTZIF-ILXRZTDVSA-N 2 0 305.470 2.528 20 0 DFADRP Cc1ccc(NC(=O)C[C@H](C)[NH2+][C@@H]2CC[NH2+]C[C@@H]2C)cc1Cl ZINC000414947817 428464883 /nfs/dbraw/zinc/46/48/83/428464883.db2.gz XBYMIGCEJUBFJO-HEHGZKQESA-N 2 0 323.868 2.953 20 0 DFADRP CC[NH+](CC)Cc1ccccc1CNC(=O)C[C@H]([NH3+])C(C)C ZINC000388553496 428465036 /nfs/dbraw/zinc/46/50/36/428465036.db2.gz IWWRBSSGONGDHJ-KRWDZBQOSA-N 2 0 305.466 2.518 20 0 DFADRP CC[NH+](CC)Cc1ccccc1CNC(=O)C[C@@H]([NH3+])C(C)C ZINC000388553497 428465473 /nfs/dbraw/zinc/46/54/73/428465473.db2.gz IWWRBSSGONGDHJ-QGZVFWFLSA-N 2 0 305.466 2.518 20 0 DFADRP Cc1ccc(NC(=O)C[C@H](C)[NH2+][C@@H]2CC[NH2+]C[C@H]2C)cc1Cl ZINC000414947816 428466515 /nfs/dbraw/zinc/46/65/15/428466515.db2.gz XBYMIGCEJUBFJO-DVOMOZLQSA-N 2 0 323.868 2.953 20 0 DFADRP CNC(=O)C1CCC([NH2+]C2CC[NH+](C3CCCCC3)CC2)CC1 ZINC000360859987 428468007 /nfs/dbraw/zinc/46/80/07/428468007.db2.gz ORXVXNNUQPWGKQ-UHFFFAOYSA-N 2 0 321.509 2.678 20 0 DFADRP CCC(C)(C)[NH2+][C@@H](C)C(=O)NCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000347033690 428415767 /nfs/dbraw/zinc/41/57/67/428415767.db2.gz FFOYULVZJPJCHS-XHSDSOJGSA-N 2 0 311.514 2.637 20 0 DFADRP Cc1ccc(Cl)cc1NC(=O)C[C@@H](C)[NH2+]C[C@H]([NH3+])C(C)C ZINC000414803378 428416795 /nfs/dbraw/zinc/41/67/95/428416795.db2.gz WQHCSAHJZLDGAN-OCCSQVGLSA-N 2 0 311.857 2.938 20 0 DFADRP CCCCOc1cc(C[NH2+][C@@H]2CC[NH2+]C[C@H]2C)ccc1OC ZINC000414952671 428469679 /nfs/dbraw/zinc/46/96/79/428469679.db2.gz IOMWCMVNVZIWEP-GDBMZVCRSA-N 2 0 306.450 2.962 20 0 DFADRP CCCC[C@@H](C[NH3+])NCc1nc2c(s1)C[N@@H+](C(C)C)CC2 ZINC000414806341 428418517 /nfs/dbraw/zinc/41/85/17/428418517.db2.gz BMBZUHTVEGMDNO-ZDUSSCGKSA-N 2 0 310.511 2.517 20 0 DFADRP Cc1ccc(NC(=O)C[C@H](C)[NH2+][C@@H]2CC[NH2+]C[C@H]2C)c(C)c1 ZINC000414948154 428469701 /nfs/dbraw/zinc/46/97/01/428469701.db2.gz XUCWMYLCZWUFPS-HLLBOEOZSA-N 2 0 303.450 2.608 20 0 DFADRP C[C@H]([NH3+])C1CC[NH+](Cc2cnn(-c3ccc(F)cc3)c2)CC1 ZINC000347039423 428419472 /nfs/dbraw/zinc/41/94/72/428419472.db2.gz JFQLTTDTFMVYRZ-ZDUSSCGKSA-N 2 0 302.397 2.571 20 0 DFADRP C[C@H]1C[N@H+](Cc2ccc(OCc3ccncc3)cc2)CC[C@@H]1[NH3+] ZINC000347043421 428419755 /nfs/dbraw/zinc/41/97/55/428419755.db2.gz MQYJLZKLULBQGT-KXBFYZLASA-N 2 0 311.429 2.830 20 0 DFADRP CSc1cc2c(cc1C[NH2+][C@H]1CCCC[C@H]1C[NH3+])OCCO2 ZINC000414812577 428421420 /nfs/dbraw/zinc/42/14/20/428421420.db2.gz XLWXOJRLMBZCGX-JSGCOSHPSA-N 2 0 322.474 2.787 20 0 DFADRP Cc1cc(C[N@H+](C)CC2CCN(c3cc[nH+]cc3)CC2)no1 ZINC000378537334 428421948 /nfs/dbraw/zinc/42/19/48/428421948.db2.gz JMHWPFRLUSFQHG-UHFFFAOYSA-N 2 0 300.406 2.726 20 0 DFADRP C[C@@H]([NH3+])CC[NH2+]Cc1cc(Br)ccc1OC(F)F ZINC000414819682 428422477 /nfs/dbraw/zinc/42/24/77/428422477.db2.gz ICLMAEJQMLVJJG-MRVPVSSYSA-N 2 0 323.181 2.877 20 0 DFADRP CCOc1cccc(C[NH2+]CC[C@H]2CC[NH2+]C2)c1OC(F)F ZINC000414827766 428424283 /nfs/dbraw/zinc/42/42/83/428424283.db2.gz HTGLHNWDXMHXGT-GFCCVEGCSA-N 2 0 314.376 2.776 20 0 DFADRP FC(F)(F)CCN1CCC([NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)CC1 ZINC000378553124 428424402 /nfs/dbraw/zinc/42/44/02/428424402.db2.gz SDEBEJOXBNFSRY-CABCVRRESA-N 2 0 319.415 2.620 20 0 DFADRP CCOc1c(Cl)cc(C[NH2+]C[C@@H]2CCC[NH2+]C2)cc1OC ZINC000414821708 428424647 /nfs/dbraw/zinc/42/46/47/428424647.db2.gz BSHAKUXNDFSSJS-GFCCVEGCSA-N 2 0 312.841 2.837 20 0 DFADRP C[N@@H+](Cc1cscn1)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000378544183 428424797 /nfs/dbraw/zinc/42/47/97/428424797.db2.gz YNRZBZLTIBHRCC-UHFFFAOYSA-N 2 0 302.447 2.887 20 0 DFADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC[C@@H]([NH3+])c1ccccc1 ZINC000414826660 428425317 /nfs/dbraw/zinc/42/53/17/428425317.db2.gz FYVRUFKTNYCPHQ-NSISKUIASA-N 2 0 309.457 2.797 20 0 DFADRP C[NH+](C)[C@@H]1CCc2ccccc2[C@@H]1N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000360758266 428427377 /nfs/dbraw/zinc/42/73/77/428427377.db2.gz GCKRYMIMYZFUFM-BWPNAZKDSA-N 2 0 313.489 2.821 20 0 DFADRP Cc1ccc(NC(=O)C[C@H](C)[NH2+]CC[C@@H]2CC[NH2+]C2)cc1Cl ZINC000414833247 428427900 /nfs/dbraw/zinc/42/79/00/428427900.db2.gz POGMMKWTOKJAJK-KBPBESRZSA-N 2 0 323.868 2.955 20 0 DFADRP C[C@@H]1C[N@H+](Cc2cccc(OCc3ccccn3)c2)CC[C@@H]1[NH3+] ZINC000347056405 428430365 /nfs/dbraw/zinc/43/03/65/428430365.db2.gz VBMXFZUCSJIVKN-BEFAXECRSA-N 2 0 311.429 2.830 20 0 DFADRP C[C@@H]([NH2+]CC1(CO)CCC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000372336085 428430484 /nfs/dbraw/zinc/43/04/84/428430484.db2.gz CXMNZHRPRWOKGO-AEFFLSMTSA-N 2 0 302.462 2.649 20 0 DFADRP C[C@H](CC(=O)Nc1ccc(F)cc1)[NH2+]CC1([NH3+])CCCCC1 ZINC000414836791 428430628 /nfs/dbraw/zinc/43/06/28/428430628.db2.gz GKMGUMAAZQFHBR-CYBMUJFWSA-N 2 0 307.413 2.794 20 0 DFADRP C[NH2+]C[C@H](C)C[NH2+][C@@H](C)CC(=O)Nc1ccc(C)c(Cl)c1 ZINC000414842612 428430875 /nfs/dbraw/zinc/43/08/75/428430875.db2.gz PFMQSNAMIWMEON-AAEUAGOBSA-N 2 0 311.857 2.811 20 0 DFADRP Cc1cccc(NC(=O)C[C@@H](C)[NH2+]C[C@@H]2CCC[NH2+]C2)c1C ZINC000414841032 428431368 /nfs/dbraw/zinc/43/13/68/428431368.db2.gz YUCBOFGDNFDRBR-GDBMZVCRSA-N 2 0 303.450 2.610 20 0 DFADRP CSC1(C[NH2+]Cc2c(F)cccc2F)CC[NH+](C)CC1 ZINC000353203890 428431369 /nfs/dbraw/zinc/43/13/69/428431369.db2.gz CACLQJJUJIXQTE-UHFFFAOYSA-N 2 0 300.418 2.882 20 0 DFADRP CCOc1cc(C[NH2+]C[C@H](C)C[NH2+]C)cc(Cl)c1OC ZINC000414845761 428432069 /nfs/dbraw/zinc/43/20/69/428432069.db2.gz SQIBEGSEBBZBDD-LLVKDONJSA-N 2 0 300.830 2.692 20 0 DFADRP COc1ccc(C[C@H](C)[NH2+]CC2([NH3+])CCCCC2)cc1OC ZINC000414850490 428432125 /nfs/dbraw/zinc/43/21/25/428432125.db2.gz ZFZYJQOERJURMO-AWEZNQCLSA-N 2 0 306.450 2.886 20 0 DFADRP COc1ccc(C[NH2+]CCC[C@H]2CCC[NH2+]2)c(Cl)c1OC ZINC000414982804 428479545 /nfs/dbraw/zinc/47/95/45/428479545.db2.gz ZFPBBZZGPLNOOR-ZDUSSCGKSA-N 2 0 312.841 2.979 20 0 DFADRP COc1cc(C[NH2+]CCC[C@@H]2CCC[NH2+]2)cc(Cl)c1OC ZINC000414982725 428479991 /nfs/dbraw/zinc/47/99/91/428479991.db2.gz YZTRBGHDMKXXAE-CYBMUJFWSA-N 2 0 312.841 2.979 20 0 DFADRP COc1ccc(C[NH2+]CCC[C@H]2CCC[NH2+]2)c(OC(F)F)c1 ZINC000414983627 428480031 /nfs/dbraw/zinc/48/00/31/428480031.db2.gz ZWNLGHVTJYMWTP-ZDUSSCGKSA-N 2 0 314.376 2.918 20 0 DFADRP COc1cc(C[NH2+][C@@H]2CC[NH2+]CC2(C)C)ccc1OC(F)F ZINC000414979059 428480481 /nfs/dbraw/zinc/48/04/81/428480481.db2.gz UMGWVEDFCBMSSK-CQSZACIVSA-N 2 0 314.376 2.774 20 0 DFADRP [NH3+][C@@H]1CCC[C@@H](C[NH2+]Cc2cc(O)ccc2Br)C1 ZINC000414991759 428481662 /nfs/dbraw/zinc/48/16/62/428481662.db2.gz JPRBVRPLTCQQEK-ZYHUDNBSSA-N 2 0 313.239 2.762 20 0 DFADRP COc1ccc(-c2n[nH]cc2C[NH2+]C[C@@H]2CCC[C@@H]([NH3+])C2)cc1 ZINC000414994239 428483080 /nfs/dbraw/zinc/48/30/80/428483080.db2.gz LXEBYTBEWPRNMT-CZUORRHYSA-N 2 0 314.433 2.692 20 0 DFADRP CC[C@@H]([NH3+])C[NH2+][C@H](C)Cc1ccc(Br)c(F)c1 ZINC000414996249 428483798 /nfs/dbraw/zinc/48/37/98/428483798.db2.gz XGVKHYUUHJILPG-MWLCHTKSSA-N 2 0 303.219 2.846 20 0 DFADRP CCOc1c(C[NH2+]C[C@@H]2CCC[C@@H]([NH3+])C2)c(C)nn1CC(C)C ZINC000414999747 428485082 /nfs/dbraw/zinc/48/50/82/428485082.db2.gz SGOZFLXFENSKRF-HZPDHXFCSA-N 2 0 322.497 2.853 20 0 DFADRP C[C@H](CCCNC(=O)OC(C)(C)C)[NH2+]C[C@H]1CCC[N@H+](C)C1 ZINC000393922057 428486341 /nfs/dbraw/zinc/48/63/41/428486341.db2.gz AYJNZRQTCFCPLN-HUUCEWRRSA-N 2 0 313.486 2.611 20 0 DFADRP C[C@H](O)C[NH+]1CCC(C[N@H+](C)CCCc2ccsc2)CC1 ZINC000360909169 428486546 /nfs/dbraw/zinc/48/65/46/428486546.db2.gz DBXWIADXJXEWRM-HNNXBMFYSA-N 2 0 310.507 2.705 20 0 DFADRP COc1ccc(-c2n[nH]cc2C[NH2+][C@H](C)CCCC[NH3+])cc1 ZINC000415010191 428487339 /nfs/dbraw/zinc/48/73/39/428487339.db2.gz GARQPNBCMUPBTQ-CYBMUJFWSA-N 2 0 302.422 2.692 20 0 DFADRP CCc1ccc([C@H](C)[NH2+][C@H](CC(C)C)C(=O)NCC[NH+](C)C)o1 ZINC000347186096 428487780 /nfs/dbraw/zinc/48/77/80/428487780.db2.gz CTBNYLCULFMQAE-GOEBONIOSA-N 2 0 323.481 2.585 20 0 DFADRP C[C@@H]1C[N@@H+](CCC2CC[NH+](C[C@H]3CCCOC3)CC2)C[C@H](C)O1 ZINC000342922425 428489952 /nfs/dbraw/zinc/48/99/52/428489952.db2.gz WHDFEYCMHUOQJQ-ZIFCJYIRSA-N 2 0 324.509 2.624 20 0 DFADRP COc1cc2c(c(C[NH2+]C[C@H]3CC[C@H](C[NH3+])CC3)c1)O[C@H](C)C2 ZINC000415018004 428491771 /nfs/dbraw/zinc/49/17/71/428491771.db2.gz BARGVTLDRIDEKP-RBSFLKMASA-N 2 0 318.461 2.873 20 0 DFADRP C[C@@H](NC1CC[NH+]([C@H]2CCC[C@@H](C)C2)CC1)c1ncnn1C ZINC000353339429 428492837 /nfs/dbraw/zinc/49/28/37/428492837.db2.gz XDCIRYYWWRIWER-FMKPAKJESA-N 2 0 305.470 2.509 20 0 DFADRP CC[NH+]1CCN(CCC[NH2+][C@H](c2ccc(F)cn2)C(C)C)CC1 ZINC000353336043 428493529 /nfs/dbraw/zinc/49/35/29/428493529.db2.gz LAXCXDFNRUPBQF-SFHVURJKSA-N 2 0 322.472 2.535 20 0 DFADRP [NH3+]C[C@@H]1CC[C@@H]([NH2+]Cc2c(F)cccc2Br)C1 ZINC000415029974 428493915 /nfs/dbraw/zinc/49/39/15/428493915.db2.gz FJDRAXZPWRRCCV-NXEZZACHSA-N 2 0 301.203 2.805 20 0 DFADRP C[C@H](Cc1ccc(C(F)(F)F)cc1)[NH2+]C[C@@H]1C[NH2+]CCCO1 ZINC000415029377 428494132 /nfs/dbraw/zinc/49/41/32/428494132.db2.gz AWFKKVRTURFDMR-DOMZBBRYSA-N 2 0 316.367 2.605 20 0 DFADRP COc1c(Br)cccc1C[NH2+][C@H]1CC[C@@H](C[NH3+])C1 ZINC000415035572 428494733 /nfs/dbraw/zinc/49/47/33/428494733.db2.gz KWCHIHQLPZZNHB-PWSUYJOCSA-N 2 0 313.239 2.675 20 0 DFADRP COc1cccc(C[NH2+][C@H]2CC[C@@H](C[NH3+])C2)c1OC(F)F ZINC000415037924 428495737 /nfs/dbraw/zinc/49/57/37/428495737.db2.gz MVZVOMYKEUHYAG-PWSUYJOCSA-N 2 0 300.349 2.514 20 0 DFADRP Cc1ccc(NC(=O)C[C@H](C)[NH2+][C@H]2CC[C@H](C[NH3+])C2)c(C)c1 ZINC000415039309 428495767 /nfs/dbraw/zinc/49/57/67/428495767.db2.gz NVWCIQMWYPXHKG-JYJNAYRXSA-N 2 0 303.450 2.738 20 0 DFADRP [NH3+]C[C@@H]1CC[C@@H]([NH2+]Cc2ccc(F)cc2Br)C1 ZINC000415037026 428495899 /nfs/dbraw/zinc/49/58/99/428495899.db2.gz LWAHWROISRXADK-BXKDBHETSA-N 2 0 301.203 2.805 20 0 DFADRP [NH3+]C[C@H]1CC[C@@H]([NH2+]Cc2cc(F)ccc2Br)C1 ZINC000415037896 428496648 /nfs/dbraw/zinc/49/66/48/428496648.db2.gz MTRGKJUQEQTUGM-JOYOIKCWSA-N 2 0 301.203 2.805 20 0 DFADRP c1cnc2ccc(C[NH2+]C3CCC([NH+]4CCNCC4)CC3)cc2c1 ZINC000415048900 428500571 /nfs/dbraw/zinc/50/05/71/428500571.db2.gz GNHLHJBRMOVYLH-UHFFFAOYSA-N 2 0 324.472 2.541 20 0 DFADRP Cc1ccc(NC(=O)C[C@H](C)[N@@H+]2C[C@@H](C)[C@](C)(C[NH3+])C2)c(C)c1 ZINC000415051562 428501310 /nfs/dbraw/zinc/50/13/10/428501310.db2.gz GGAFXMGHYDXCCQ-JTDSTZFVSA-N 2 0 317.477 2.937 20 0 DFADRP [NH3+]C[C@@H]1CC[C@H]([NH2+][C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]23)C1 ZINC000415048723 428501485 /nfs/dbraw/zinc/50/14/85/428501485.db2.gz XGLHXPMNIYRZAB-SWBPCFCJSA-N 3 0 313.489 2.614 20 0 DFADRP C1CC1[C@@H]1CCC[C@H]([NH2+]C2CCC([NH+]3CCNCC3)CC2)C1 ZINC000415052463 428501930 /nfs/dbraw/zinc/50/19/30/428501930.db2.gz LIBITKJEHMLUCJ-RRENTHDGSA-N 2 0 305.510 2.761 20 0 DFADRP C[C@@H]1C[C@H](N[C@H]2CCC[NH2+][C@H]2C)CC[N@@H+]1Cc1ccccc1 ZINC000396622651 428502250 /nfs/dbraw/zinc/50/22/50/428502250.db2.gz VGNBOPACNOYJAK-JFRXWTBNSA-N 2 0 301.478 2.770 20 0 DFADRP C[C@H]([NH2+]C1CCC([NH+]2CCNCC2)CC1)[C@@H](C)c1ccccc1 ZINC000415055807 428503234 /nfs/dbraw/zinc/50/32/34/428503234.db2.gz OUZQSLARCOYEKK-WSCVDHEUSA-N 2 0 315.505 2.985 20 0 DFADRP COCCOc1cccc(C[N@@H+]2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)c1 ZINC000415054754 428503347 /nfs/dbraw/zinc/50/33/47/428503347.db2.gz QJWIMTRMGWGEAK-IEBWSBKVSA-N 2 0 318.461 2.676 20 0 DFADRP COC(=O)c1ccc(C[NH2+][C@@H](CCC[NH3+])c2ccccc2)o1 ZINC000415054857 428504054 /nfs/dbraw/zinc/50/40/54/428504054.db2.gz NWOAOYAUAOZKAN-HNNXBMFYSA-N 2 0 302.374 2.636 20 0 DFADRP C[C@H](c1ccccc1)[N@@H+]1CC[C@H](N[C@@H](C[NH3+])C2CCCC2)C1 ZINC000415064720 428505529 /nfs/dbraw/zinc/50/55/29/428505529.db2.gz LHENDIDPXOFDLG-MNEFBYGVSA-N 2 0 301.478 2.929 20 0 DFADRP Cc1cc(C[NH2+]C2CCC([NH+]3CCNCC3)CC2)ccc1Cl ZINC000415061021 428506580 /nfs/dbraw/zinc/50/65/80/428506580.db2.gz XQSWKKLDKWHASC-UHFFFAOYSA-N 2 0 321.896 2.954 20 0 DFADRP [NH3+]C[C@@H](NC1CC[NH+](CCc2ccccc2)CC1)C1CCCC1 ZINC000415066909 428507762 /nfs/dbraw/zinc/50/77/62/428507762.db2.gz ONZPLLPMYXSPJJ-HXUWFJFHSA-N 2 0 315.505 2.801 20 0 DFADRP CCOc1ccccc1OCC[N@@H+]1C[C@H](C[NH3+])[C@@H](C)C[C@@H]1C ZINC000397396610 428508381 /nfs/dbraw/zinc/50/83/81/428508381.db2.gz PMMIOVYZRPFPHA-JYJNAYRXSA-N 2 0 306.450 2.769 20 0 DFADRP COc1ccc(C[NH2+]C[C@H]2CCC[NH2+]C2)c(C(F)(F)F)c1 ZINC000415075065 428509754 /nfs/dbraw/zinc/50/97/54/428509754.db2.gz AXYBJMHWNZYQLO-NSHDSACASA-N 2 0 302.340 2.803 20 0 DFADRP Cc1cccc(NC(=O)C[C@@H](C)[NH2+]CCC[NH2+]C2CC2)c1C ZINC000415069528 428510097 /nfs/dbraw/zinc/51/00/97/428510097.db2.gz OUUVDTPRYPERRU-CQSZACIVSA-N 2 0 303.450 2.752 20 0 DFADRP C[C@@H]1CC[C@@H]([NH2+]CC2(O)CC[NH+](Cc3ccccc3)CC2)C1 ZINC000397489855 428510968 /nfs/dbraw/zinc/51/09/68/428510968.db2.gz HHKCPTOOVSWZJH-SJLPKXTDSA-N 2 0 302.462 2.792 20 0 DFADRP C[N@H+](CCCCc1ccc(Cl)c(Cl)c1)C[C@H](O)C[NH3+] ZINC000415069611 428511036 /nfs/dbraw/zinc/51/10/36/428511036.db2.gz PGVLTECCNMNXMY-GFCCVEGCSA-N 2 0 305.249 2.568 20 0 DFADRP C[C@H](Cc1ccc(F)c(Br)c1)[NH2+][C@H]1CCCNC1 ZINC000415081985 428511954 /nfs/dbraw/zinc/51/19/54/428511954.db2.gz LCZOPGRBXJTYMQ-PWSUYJOCSA-N 2 0 315.230 2.861 20 0 DFADRP C[C@H](C[C@@H]1CCC[NH2+]1)[NH2+]Cc1ccc(-n2ccnc2)c(F)c1 ZINC000415082732 428512011 /nfs/dbraw/zinc/51/20/11/428512011.db2.gz MIRBLHMXJQXDAF-HIFRSBDPSA-N 3 0 302.397 2.632 20 0 DFADRP C[C@H]([NH2+]CC1(O)CC[NH+](Cc2ccccc2)CC1)c1ccco1 ZINC000397497556 428512169 /nfs/dbraw/zinc/51/21/69/428512169.db2.gz FRKMQQRLRUWWPW-INIZCTEOSA-N 2 0 314.429 2.957 20 0 DFADRP Clc1cccnc1OCC[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000415081819 428512518 /nfs/dbraw/zinc/51/25/18/428512518.db2.gz CHCUVZZKEQSUQT-NWANDNLSSA-N 2 0 309.841 2.624 20 0 DFADRP C[C@@H](C[C@H]1CCC[NH2+]1)[NH2+]Cc1ccc(N2CCC(C)CC2)nc1 ZINC000415081261 428512844 /nfs/dbraw/zinc/51/28/44/428512844.db2.gz KENWPTYXMGUFLQ-FUHWJXTLSA-N 2 0 316.493 2.938 20 0 DFADRP OC1(C[NH2+]Cc2ccsc2)CC[NH+](Cc2ccccc2)CC1 ZINC000397495827 428513059 /nfs/dbraw/zinc/51/30/59/428513059.db2.gz QARCKWRLOYSNBJ-UHFFFAOYSA-N 2 0 316.470 2.865 20 0 DFADRP CC(C)(C)[C@@H]([NH2+]C[C@H]1CCCN(C(=O)C[NH3+])C1)c1ccccc1 ZINC000415082779 428513134 /nfs/dbraw/zinc/51/31/34/428513134.db2.gz MCCZQNMSMPKDGY-QAPCUYQASA-N 2 0 317.477 2.561 20 0 DFADRP C[C@H]([NH2+]Cc1cc(F)cc(Br)c1)[C@H]1CC[NH2+]C1 ZINC000415090294 428514815 /nfs/dbraw/zinc/51/48/15/428514815.db2.gz YWUIJYLGPTYXQL-ONGXEEELSA-N 2 0 301.203 2.676 20 0 DFADRP COCCOc1ccc(C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)cc1 ZINC000415091183 428515539 /nfs/dbraw/zinc/51/55/39/428515539.db2.gz PUWWYZAQEGPMBE-IPMKNSEASA-N 2 0 318.461 2.722 20 0 DFADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000398004325 428515760 /nfs/dbraw/zinc/51/57/60/428515760.db2.gz AJFYXBDPCZNKDT-LULLPPNCSA-N 2 0 301.478 2.757 20 0 DFADRP CC(C)CC(=O)N1CCC([NH2+][C@H](C)C[C@@H]2CCCCC[NH2+]2)CC1 ZINC000415085765 428516004 /nfs/dbraw/zinc/51/60/04/428516004.db2.gz QUZBRVMGWQKPEV-AEFFLSMTSA-N 2 0 323.525 2.924 20 0 DFADRP C[C@H](C[C@@H]1CCC[NH2+]1)[NH2+][C@H]1CCN(c2c(F)cccc2F)C1 ZINC000415087400 428516063 /nfs/dbraw/zinc/51/60/63/428516063.db2.gz TUDWMZFHPQLPFA-RDBSUJKOSA-N 2 0 309.404 2.664 20 0 DFADRP Clc1ccccc1C1(C[NH2+]C2CC[NH2+]CC2)CCOCC1 ZINC000415086445 428516383 /nfs/dbraw/zinc/51/63/83/428516383.db2.gz UOHVMGOFFVHNGJ-UHFFFAOYSA-N 2 0 308.853 2.730 20 0 DFADRP COCCOc1ccc(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)cc1 ZINC000415091180 428516531 /nfs/dbraw/zinc/51/65/31/428516531.db2.gz PUWWYZAQEGPMBE-CEXWTWQISA-N 2 0 318.461 2.722 20 0 DFADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1N[C@@H]1CCC[NH2+]CC1 ZINC000398054381 428517742 /nfs/dbraw/zinc/51/77/42/428517742.db2.gz YYIRMXPVIHUCGA-QRQLOZEOSA-N 2 0 301.478 2.629 20 0 DFADRP C[N@H+](C[C@H]1CC12CC[NH+](CCO[C@@H]1CCCCO1)CC2)C1CC1 ZINC000373118331 428518989 /nfs/dbraw/zinc/51/89/89/428518989.db2.gz QFGURDSYMZFUPI-SJLPKXTDSA-N 2 0 322.493 2.726 20 0 DFADRP COCc1cccc(C[NH+]2CCC([C@@H]3OCCC[C@@H]3[NH3+])CC2)c1 ZINC000415106135 428520970 /nfs/dbraw/zinc/52/09/70/428520970.db2.gz JHNYPJZFNPJOGT-OALUTQOASA-N 2 0 318.461 2.551 20 0 DFADRP C[C@H]([NH2+]C1CCC([NH+](C)C)CC1)c1ccc(S(C)(=O)=O)cc1 ZINC000353396754 428521477 /nfs/dbraw/zinc/52/14/77/428521477.db2.gz VCUUSOWCBIYEPK-JEYLPNPQSA-N 2 0 324.490 2.614 20 0 DFADRP CCOc1cccc(C[NH+]2CCC([C@H]3OCCC[C@@H]3[NH3+])CC2)c1 ZINC000415102499 428522177 /nfs/dbraw/zinc/52/21/77/428522177.db2.gz CKCHYPAKRSEWEJ-RBUKOAKNSA-N 2 0 318.461 2.804 20 0 DFADRP CC[NH+]1CCN(c2cccc(N[C@@H](C)C[C@H]3CCC[NH2+]3)c2)CC1 ZINC000415101837 428522409 /nfs/dbraw/zinc/52/24/09/428522409.db2.gz IJGPZNXGFNNEFW-DLBZAZTESA-N 2 0 316.493 2.771 20 0 DFADRP CC(C)CCOc1ccc(CN2CCCO[C@H](C[NH3+])C2)cc1 ZINC000415112805 428523784 /nfs/dbraw/zinc/52/37/84/428523784.db2.gz QUSASJZBMDXOKV-GOSISDBHSA-N 2 0 306.450 2.661 20 0 DFADRP Cc1nn(C)c(C)c1C[C@H](C)[NH2+][C@H](C)C[C@H]1CCCCC[NH2+]1 ZINC000415113811 428524678 /nfs/dbraw/zinc/52/46/78/428524678.db2.gz SQRVFNXRVMCMFX-JKIFEVAISA-N 2 0 306.498 2.868 20 0 DFADRP CCCCCOc1ccc(CN2CCCO[C@H](C[NH3+])C2)cc1 ZINC000415113982 428525047 /nfs/dbraw/zinc/52/50/47/428525047.db2.gz SHZZYYIUPNXMHX-GOSISDBHSA-N 2 0 306.450 2.805 20 0 DFADRP c1cnn(Cc2ccccc2C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)c1 ZINC000415120364 428527108 /nfs/dbraw/zinc/52/71/08/428527108.db2.gz YANFOSULGIWDME-HSALFYBXSA-N 2 0 324.472 2.942 20 0 DFADRP C[C@H](CC1CCOCC1)C[NH+]1CCC([C@@H]2C[C@@H]([NH3+])CCO2)CC1 ZINC000415123060 428529760 /nfs/dbraw/zinc/52/97/60/428529760.db2.gz KRZCXFHTUKZMSI-MNEFBYGVSA-N 2 0 324.509 2.658 20 0 DFADRP Cc1nn(-c2cccc(F)c2)cc1C[NH2+]CCC[C@@H]1CCC[NH2+]1 ZINC000414958855 428471355 /nfs/dbraw/zinc/47/13/55/428471355.db2.gz DRWHDGIDXVFLTR-QGZVFWFLSA-N 2 0 316.424 2.942 20 0 DFADRP COc1ccc(C[NH2+][C@@H]2CC[NH2+]CC2(C)C)cc1OC(F)F ZINC000414960339 428472720 /nfs/dbraw/zinc/47/27/20/428472720.db2.gz AOXXCAIPFVLCRW-CQSZACIVSA-N 2 0 314.376 2.774 20 0 DFADRP COC[C@]1(C[NH2+][C@H]2CC[C@H](Cc3ccccc3)C2)CCC[NH2+]1 ZINC000414958210 428472968 /nfs/dbraw/zinc/47/29/68/428472968.db2.gz RCVCGLAZOSYRIT-CEXWTWQISA-N 2 0 302.462 2.756 20 0 DFADRP COCC1(C[NH2+]Cc2ccc(OC(C)C)cc2)CC[NH2+]CC1 ZINC000414957156 428473681 /nfs/dbraw/zinc/47/36/81/428473681.db2.gz PTQDLKUBDDFWOI-UHFFFAOYSA-N 2 0 306.450 2.580 20 0 DFADRP COc1ccc(C[NH2+]C[C@H]2CCCN2Cc2ccccc2)cn1 ZINC000390579626 428473964 /nfs/dbraw/zinc/47/39/64/428473964.db2.gz YKRRFGPXRNIAJC-GOSISDBHSA-N 2 0 311.429 2.844 20 0 DFADRP CCCOc1ccc(C[NH2+][C@@H]2CC[NH2+]C[C@H]2C)cc1OCC ZINC000414962876 428474058 /nfs/dbraw/zinc/47/40/58/428474058.db2.gz SRGZLNVOXRSEMJ-GDBMZVCRSA-N 2 0 306.450 2.962 20 0 DFADRP Fc1cccc(F)c1-c1n[nH]cc1C[NH2+]CCC[C@H]1CCC[NH2+]1 ZINC000414961623 428474333 /nfs/dbraw/zinc/47/43/33/428474333.db2.gz BINMQZBGIGOVQZ-ZDUSSCGKSA-N 2 0 320.387 2.977 20 0 DFADRP C[N@@H+]1CC[C@H]([NH2+]C[C@H](CCO)c2ccccc2)[C@H]2CCC[C@H]21 ZINC000353535025 428581725 /nfs/dbraw/zinc/58/17/25/428581725.db2.gz VAYZPCGCCUZFGS-ZSYWTGECSA-N 2 0 302.462 2.615 20 0 DFADRP CC[C@@H](C)[C@H](C)[N@H+](CC(=O)NC1CC[NH+](C(C)C)CC1)C1CC1 ZINC000358197875 428586300 /nfs/dbraw/zinc/58/63/00/428586300.db2.gz ONAVALFEURKSSZ-CVEARBPZSA-N 2 0 323.525 2.874 20 0 DFADRP CC[N@H+](C)Cc1cccc(CNC(=O)c2ccc3c(c2)C[NH2+]C3)c1 ZINC000347492397 428590326 /nfs/dbraw/zinc/59/03/26/428590326.db2.gz CSGBQNHTFOAEES-UHFFFAOYSA-N 2 0 323.440 2.672 20 0 DFADRP CC(C)[C@H]([NH2+]CCCN1CCC[N@H+](C)CC1)c1ccc(F)cn1 ZINC000353552086 428590421 /nfs/dbraw/zinc/59/04/21/428590421.db2.gz MVNVMVRAORIHHB-SFHVURJKSA-N 2 0 322.472 2.535 20 0 DFADRP CC(C)[C@H](CNC(=O)CC1CC[NH+](C)CC1)[NH+]1CCC(C)CC1 ZINC000347524434 428595124 /nfs/dbraw/zinc/59/51/24/428595124.db2.gz NCIXQTIBRMNJEF-SFHVURJKSA-N 2 0 323.525 2.591 20 0 DFADRP C[C@H](CCN[C@@H]1CC[N@H+](C)C[C@H]1C)[NH+](C)Cc1ccccc1 ZINC000361755951 428593353 /nfs/dbraw/zinc/59/33/53/428593353.db2.gz SKGLPIVQOKXOMS-ZHALLVOQSA-N 2 0 303.494 2.827 20 0 DFADRP [NH3+][C@@H]1CCO[C@@H](C2CC[NH+](Cc3cc(F)cc(F)c3)CC2)C1 ZINC000415129934 428532423 /nfs/dbraw/zinc/53/24/23/428532423.db2.gz VQNHRTZSHANJRO-IAGOWNOFSA-N 2 0 310.388 2.683 20 0 DFADRP C[C@@H]1CC[N@H+](Cc2ccc(Oc3cnccn3)cc2)C[C@@H]1C[NH3+] ZINC000415128902 428533004 /nfs/dbraw/zinc/53/30/04/428533004.db2.gz OQUHVEVEYUDIKL-ZBFHGGJFSA-N 2 0 312.417 2.686 20 0 DFADRP COc1ccc(OC)c(C[NH2+][C@@H]2CC[N@H+](C)[C@@H]3CCC[C@@H]32)c1 ZINC000353433969 428533495 /nfs/dbraw/zinc/53/34/95/428533495.db2.gz HSWSVXAHXCRXMS-BRWVUGGUSA-N 2 0 304.434 2.666 20 0 DFADRP C[NH+](C)Cc1ccc(C[NH2+][C@@H]2CC[N@H+](C)[C@H]3CCC[C@H]32)cc1 ZINC000353434987 428534643 /nfs/dbraw/zinc/53/46/43/428534643.db2.gz KRRYVAAVSDXTLZ-OTWHNJEPSA-N 3 0 301.478 2.711 20 0 DFADRP Cc1cc(F)ccc1C[NH+]1CCC([C@@H]2OCCC[C@H]2[NH3+])CC1 ZINC000415136542 428534813 /nfs/dbraw/zinc/53/48/13/428534813.db2.gz XFTUFBMDNGWDDQ-MSOLQXFVSA-N 2 0 306.425 2.852 20 0 DFADRP Cc1ccc(C[N@H+]2CC[C@@H](C)[C@@H](C[NH3+])C2)c(-c2cnn(C)c2)c1 ZINC000415136695 428535386 /nfs/dbraw/zinc/53/53/86/428535386.db2.gz XOKDXIMLMLJIDM-WBVHZDCISA-N 2 0 312.461 2.812 20 0 DFADRP CC[NH+](CC)Cc1ccc(CNC(=O)[C@@H](C(C)C)[C@@H](C)[NH3+])cc1 ZINC000399384910 428539816 /nfs/dbraw/zinc/53/98/16/428539816.db2.gz PONKZIGCQYCYMC-QAPCUYQASA-N 2 0 319.493 2.764 20 0 DFADRP CCN(CC)C(=O)[C@@H]1CCC[N@@H+]1CCCc1ccc(C)nc1 ZINC000353448457 428540743 /nfs/dbraw/zinc/54/07/43/428540743.db2.gz MTHRLOVKJBYFNL-KRWDZBQOSA-N 2 0 303.450 2.655 20 0 DFADRP C[C@H](N[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C)[C@H]1CCC[NH2+]1 ZINC000400323545 428542931 /nfs/dbraw/zinc/54/29/31/428542931.db2.gz APYVSWHYAPMFDO-KCITZHQASA-N 2 0 301.478 2.627 20 0 DFADRP C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)CC[C@H]1CCCC[NH+]1C ZINC000353452039 428543837 /nfs/dbraw/zinc/54/38/37/428543837.db2.gz WAMAHOIKLOUCNR-IXDOHACOSA-N 2 0 309.498 2.630 20 0 DFADRP C[C@@H]1C[NH2+]CCN1C(=O)Nc1cccc(Oc2ccncc2)c1 ZINC000415185782 428543795 /nfs/dbraw/zinc/54/37/95/428543795.db2.gz MFDRBVYFCWVTAN-CYBMUJFWSA-N 2 0 312.373 2.700 20 0 DFADRP C[N@H+](CCCN[C@@H]1CC[NH+](C)[C@@H]2CCC[C@@H]21)Cc1ccccc1 ZINC000353456685 428544720 /nfs/dbraw/zinc/54/47/20/428544720.db2.gz WFTAPSKLBFCPSO-VAMGGRTRSA-N 3 0 315.505 2.971 20 0 DFADRP C[C@H](NC[C@@]1(C)CCC[N@@H+]1Cc1ccccc1)[C@H]1CC[NH2+]C1 ZINC000400442864 428545381 /nfs/dbraw/zinc/54/53/81/428545381.db2.gz ORTZYHYOGOKLQT-YTQUADARSA-N 2 0 301.478 2.629 20 0 DFADRP C[C@H](NC[C@H]1CCC[N@H+](Cc2ccccc2)C1)[C@@H]1CCC[NH2+]1 ZINC000400734277 428548656 /nfs/dbraw/zinc/54/86/56/428548656.db2.gz RIJBNGPKBJETCR-UHOSZYNNSA-N 2 0 301.478 2.629 20 0 DFADRP c1ccc(CN2CCC[C@@H]2C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC000400961452 428550880 /nfs/dbraw/zinc/55/08/80/428550880.db2.gz GCKJGSBCHYYNIG-IYWMVGAKSA-N 3 0 313.489 2.629 20 0 DFADRP CC(C)O[C@@H]1C[C@H]([NH2+]C2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)C1(C)C ZINC000361235600 428550845 /nfs/dbraw/zinc/55/08/45/428550845.db2.gz CZSCCUIRQIARCP-XLAORIBOSA-N 2 0 324.509 2.546 20 0 DFADRP Brc1ccc(CC[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000401110087 428551030 /nfs/dbraw/zinc/55/10/30/428551030.db2.gz GKXQYWFQAGRNRY-SQWLQELKSA-N 2 0 323.278 2.969 20 0 DFADRP C/C(=C/c1ccccc1)CN1CCC([N@H+](C)CCCO)CC1 ZINC000353472226 428553206 /nfs/dbraw/zinc/55/32/06/428553206.db2.gz NSNZUILOIGANAI-ICFOKQHNSA-N 2 0 302.462 2.869 20 0 DFADRP C[C@H](c1cnccn1)[NH+]1CCC2(C[C@H]2C[N@H+](C)C2CC2)CC1 ZINC000373352337 428554952 /nfs/dbraw/zinc/55/49/52/428554952.db2.gz DVHHIXIMXIPERB-CABCVRRESA-N 2 0 300.450 2.734 20 0 DFADRP C[C@H](NC(=O)C[N@H+]1[C@H](C)CC[C@@H]1C)[C@@H](c1ccccc1)[NH+](C)C ZINC000353494694 428564112 /nfs/dbraw/zinc/56/41/12/428564112.db2.gz QGONJPNSAKLSKH-RCJHGTSTSA-N 2 0 317.477 2.667 20 0 DFADRP C[C@H](c1ccccc1)N(C)C(=O)C[N@@H+]1CCC[C@@H](C)[C@@H]1CC[NH3+] ZINC000404333152 428565193 /nfs/dbraw/zinc/56/51/93/428565193.db2.gz ZVVSJEOGYMZEEX-NUJGCVRESA-N 2 0 317.477 2.655 20 0 DFADRP CCC[N@H+](CC)C[C@@H](C)NC1CC[NH+](Cc2ccncc2)CC1 ZINC000353501411 428568472 /nfs/dbraw/zinc/56/84/72/428568472.db2.gz ZARGMXVMXJCLLK-QGZVFWFLSA-N 2 0 318.509 2.756 20 0 DFADRP CCC[C@H]([NH2+]C(C)C)C(=O)NC[C@@H](C)[N@H+](C)Cc1ccccc1 ZINC000353501360 428568489 /nfs/dbraw/zinc/56/84/89/428568489.db2.gz MOQYKKQJGKLAGK-AEFFLSMTSA-N 2 0 319.493 2.790 20 0 DFADRP C[C@H](N[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1)c1ncnn1C ZINC000361456618 428571262 /nfs/dbraw/zinc/57/12/62/428571262.db2.gz LWUSGJAWWUOMBV-YQQAZPJKSA-N 2 0 313.449 2.519 20 0 DFADRP CC(C)[N@@H+]1CCCN(C(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)CC1 ZINC000361523940 428572847 /nfs/dbraw/zinc/57/28/47/428572847.db2.gz HOZNROKHSZSVMC-QGZVFWFLSA-N 2 0 321.509 2.584 20 0 DFADRP C[C@@H]1CCC[N@H+](Cc2cnn(Cc3ccccc3)c2)[C@H]1CC[NH3+] ZINC000405216415 428574895 /nfs/dbraw/zinc/57/48/95/428574895.db2.gz KGRJPTOSJOTTGW-APWZRJJASA-N 2 0 312.461 2.881 20 0 DFADRP Cc1oncc1C[N@H+](C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000373428558 428575476 /nfs/dbraw/zinc/57/54/76/428575476.db2.gz YQHWRLBLPZBROM-UHFFFAOYSA-N 2 0 300.406 2.726 20 0 DFADRP CCOc1ccc(C[NH+]2CCC(OCC[NH+](C)C)CC2)cc1 ZINC000353519408 428575767 /nfs/dbraw/zinc/57/57/67/428575767.db2.gz NGAHEXCZXWLBOE-UHFFFAOYSA-N 2 0 306.450 2.628 20 0 DFADRP Cc1ncc([C@@H](C)[NH2+]CCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)c(C)n1 ZINC000358032948 428576534 /nfs/dbraw/zinc/57/65/34/428576534.db2.gz DSGBYCPFGMZWMV-QLFBSQMISA-N 2 0 320.481 2.633 20 0 DFADRP CCO[C@@H]1C[N@H+](Cc2c(OC)ccc3ccccc32)C[C@H]1C[NH3+] ZINC000405391326 428577158 /nfs/dbraw/zinc/57/71/58/428577158.db2.gz RNSJWAIIFVYUSE-DNVCBOLYSA-N 2 0 314.429 2.644 20 0 DFADRP C[N@H+](Cc1ccccc1)C1CCC([NH2+]C[C@@H](O)C(F)F)CC1 ZINC000353523407 428577410 /nfs/dbraw/zinc/57/74/10/428577410.db2.gz TZXCHPSFBKRJCX-UYSNPLJNSA-N 2 0 312.404 2.645 20 0 DFADRP CC[NH+](CC)Cc1cccc(NC(=O)[C@@H]2CC[C@H](C3CC3)[NH2+]2)c1 ZINC000407300405 428579635 /nfs/dbraw/zinc/57/96/35/428579635.db2.gz BTGKNTZZKINBBW-MSOLQXFVSA-N 2 0 315.461 2.998 20 0 DFADRP C[N@@H+]1CC[C@H]([NH2+]C[C@H](CCO)c2ccccc2)[C@H]2CCC[C@@H]21 ZINC000353535020 428579954 /nfs/dbraw/zinc/57/99/54/428579954.db2.gz VAYZPCGCCUZFGS-RDGPPVDQSA-N 2 0 302.462 2.615 20 0 DFADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)C[C@H]2CCC[NH2+]CC2)C1 ZINC000373517281 428596386 /nfs/dbraw/zinc/59/63/86/428596386.db2.gz SVXSWBVGOSUBDV-KSZLIROESA-N 2 0 323.525 2.641 20 0 DFADRP C[C@H](C[NH+]1CCCCCC1)NC(=O)[C@@H](C)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000361838333 428598023 /nfs/dbraw/zinc/59/80/23/428598023.db2.gz SIBDEWJIUHUHBU-WCXIOVBPSA-N 2 0 309.498 2.628 20 0 DFADRP Cn1cncc1CNCc1ccc(Sc2ccccn2)o1 ZINC000353575548 428603393 /nfs/dbraw/zinc/60/33/93/428603393.db2.gz OTNKQQRKGDUNFC-UHFFFAOYSA-N 2 0 300.387 2.849 20 0 DFADRP COc1cc2c(cc1OC)[C@H]([NH2+][C@@H]1CC[N@@H+]3CCC[C@@H]3C1)CC2 ZINC000373564303 428606915 /nfs/dbraw/zinc/60/69/15/428606915.db2.gz XZFPVLIBLSPEES-BFYDXBDKSA-N 2 0 316.445 2.908 20 0 DFADRP CC(C)[C@H](C(=O)N[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1)[NH+](C)C ZINC000358569650 428608958 /nfs/dbraw/zinc/60/89/58/428608958.db2.gz WRSPUWDKGQDEFJ-RYQLBKOJSA-N 2 0 317.477 2.524 20 0 DFADRP COc1ccc(CN(C)C[C@H]2CCC[N@H+](C)C2)c(C)c1OC ZINC000347581781 428612349 /nfs/dbraw/zinc/61/23/49/428612349.db2.gz HHHAEPLOFPVFJH-HNNXBMFYSA-N 2 0 306.450 2.786 20 0 DFADRP CC[NH2+]Cc1cccc(NC(=O)N(C)C[C@@H]2CCC[N@H+](C)C2)c1 ZINC000415901520 428619325 /nfs/dbraw/zinc/61/93/25/428619325.db2.gz BWESMNFBXWJXKX-MRXNPFEDSA-N 2 0 318.465 2.602 20 0 DFADRP CCC[NH+]1CCC(CNC(=O)Nc2ccccc2C[NH2+]C)CC1 ZINC000415907178 428621448 /nfs/dbraw/zinc/62/14/48/428621448.db2.gz AQPWAMKSNCHVEH-UHFFFAOYSA-N 2 0 318.465 2.650 20 0 DFADRP CCO[C@@H]1C[C@H]([NH2+][C@@H]2CCc3nc[nH]c3C2)C12CCCCC2 ZINC000353615668 428623671 /nfs/dbraw/zinc/62/36/71/428623671.db2.gz ZFQZBQZSKGKKAA-XOKHGSTOSA-N 2 0 303.450 2.985 20 0 DFADRP CCCC[N@H+](C)CCNC(=O)Nc1cccc(C[NH2+]CC)c1 ZINC000415911709 428623844 /nfs/dbraw/zinc/62/38/44/428623844.db2.gz YSMBSLQYSANCLN-UHFFFAOYSA-N 2 0 306.454 2.650 20 0 DFADRP CSC1(C[NH2+][C@@H]2[C@@H]3CCO[C@H]3C23CCCC3)CC[NH+](C)CC1 ZINC000353622210 428624748 /nfs/dbraw/zinc/62/47/48/428624748.db2.gz MCVAIXMDJMEXMM-ARFHVFGLSA-N 2 0 324.534 2.751 20 0 DFADRP C[N@@H+]1CC[C@H]([NH2+]CC[C@@H]2COc3ccccc3O2)[C@H]2CCC[C@@H]21 ZINC000353621319 428626547 /nfs/dbraw/zinc/62/65/47/428626547.db2.gz LYAFNIUDJHIGRB-NCOADZHNSA-N 2 0 316.445 2.679 20 0 DFADRP CC[C@@H](C)[N@H+](C)CCNC1CC[NH+](CCC(F)(F)F)CC1 ZINC000358691539 428628183 /nfs/dbraw/zinc/62/81/83/428628183.db2.gz XONSWAXSWIBTFR-CYBMUJFWSA-N 2 0 309.420 2.723 20 0 DFADRP CC[NH2+]Cc1ccccc1NC(=O)NCCCC[N@H+](C)C1CC1 ZINC000415928691 428628898 /nfs/dbraw/zinc/62/88/98/428628898.db2.gz GNDNFPFWDXWYDF-UHFFFAOYSA-N 2 0 318.465 2.792 20 0 DFADRP CC[NH2+]Cc1ccccc1NC(=O)N1C[C@H](C)[N@H+](CC)C[C@@H]1C ZINC000415934555 428630779 /nfs/dbraw/zinc/63/07/79/428630779.db2.gz SDRAQWFHAMQLBX-GJZGRUSLSA-N 2 0 318.465 2.743 20 0 DFADRP CSC1(C[NH2+][C@@H](C)c2ccc3c(c2)OCO3)CC[NH+](C)CC1 ZINC000353630584 428631305 /nfs/dbraw/zinc/63/13/05/428631305.db2.gz MQZPGNJTINKYDO-ZDUSSCGKSA-N 2 0 322.474 2.893 20 0 DFADRP CC[NH2+]Cc1ccccc1NC(=O)N1C[C@@H](C)[N@H+](CC)C[C@@H]1C ZINC000415934554 428631538 /nfs/dbraw/zinc/63/15/38/428631538.db2.gz SDRAQWFHAMQLBX-CABCVRRESA-N 2 0 318.465 2.743 20 0 DFADRP CCC[N@H+](C)C[C@@H]1CCN(C(=O)Nc2cccc(C[NH2+]C)c2)C1 ZINC000415943414 428633814 /nfs/dbraw/zinc/63/38/14/428633814.db2.gz LWRUNRROOLUUBK-INIZCTEOSA-N 2 0 318.465 2.602 20 0 DFADRP COCCC[NH+]1CCC([NH2+][C@@H]2CCCc3c(O)cccc32)CC1 ZINC000291343697 274019956 /nfs/dbraw/zinc/01/99/56/274019956.db2.gz WSBWMNGZQZFZNM-GOSISDBHSA-N 2 0 318.461 2.860 20 0 DFADRP C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)Nc1ccc(C[NH3+])cc1 ZINC000415968023 428636798 /nfs/dbraw/zinc/63/67/98/428636798.db2.gz CAIRREJSNYVRGB-ZIAGYGMSSA-N 2 0 304.438 2.530 20 0 DFADRP C[NH2+]Cc1ccc(NC(=O)N[C@@H](C)C[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000415970491 428637360 /nfs/dbraw/zinc/63/73/60/428637360.db2.gz IFZQVWFABIARGG-CABCVRRESA-N 2 0 318.465 2.648 20 0 DFADRP CC[N@@H+]1CC[C@H](N(C)C(=O)Nc2ccc(C[NH2+]C)cc2)C[C@H]1C ZINC000415971762 428638300 /nfs/dbraw/zinc/63/83/00/428638300.db2.gz KQANMKNJRKXIJT-PBHICJAKSA-N 2 0 318.465 2.743 20 0 DFADRP C[NH+](C)CC[C@@H](NC(=O)Nc1ccc(C[NH3+])cc1)C(C)(C)C ZINC000415973207 428639138 /nfs/dbraw/zinc/63/91/38/428639138.db2.gz JEOSJOSQGDSQFO-OAHLLOKOSA-N 2 0 306.454 2.633 20 0 DFADRP CCC[NH+]1CCC(CNC(=O)Nc2ccc(C[NH2+]C)cc2)CC1 ZINC000415975750 428639636 /nfs/dbraw/zinc/63/96/36/428639636.db2.gz ULRJXRXSDNUWPQ-UHFFFAOYSA-N 2 0 318.465 2.650 20 0 DFADRP C[C@H]1CCC[N@H+](CCCCNC(=O)Nc2ccc(C[NH3+])cc2)C1 ZINC000415981903 428639652 /nfs/dbraw/zinc/63/96/52/428639652.db2.gz WTOVCBWMMSWMAB-HNNXBMFYSA-N 2 0 318.465 2.779 20 0 DFADRP CCCC[C@H]([NH3+])C(=O)NC[C@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000353660667 428644684 /nfs/dbraw/zinc/64/46/84/428644684.db2.gz CSXGMJGKRKFJOK-IJEWVQPXSA-N 2 0 323.506 2.765 20 0 DFADRP COc1ccc2c(c1)[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@H]3CCC[C@@H]31)CCO2 ZINC000353680449 274137705 /nfs/dbraw/zinc/13/77/05/274137705.db2.gz JTEUCXXDNVCZRE-DDBAPUKQSA-N 2 0 316.445 2.981 20 0 DFADRP CC[N@@H+]1CC[C@H](N(C)C(=O)Nc2ccc3c(c2)C[NH2+]C3)C[C@H]1C ZINC000416000282 428647243 /nfs/dbraw/zinc/64/72/43/428647243.db2.gz WQZPERYIIFWAAT-DYVFJYSZSA-N 2 0 316.449 2.626 20 0 DFADRP CC1=C[C@H](C)C[C@H](C[NH2+]CC(=O)NCC[NH+]2CCCCCC2)C1 ZINC000353668727 428649872 /nfs/dbraw/zinc/64/98/72/428649872.db2.gz ABKCOUUBALTORF-WMZOPIPTSA-N 2 0 321.509 2.561 20 0 DFADRP C[C@@H](C[NH2+][C@H]1C[C@H](c2ccccc2)C1(C)C)N1CC[NH+](C)CC1 ZINC000123178175 274226501 /nfs/dbraw/zinc/22/65/01/274226501.db2.gz XJCGRNUQHNFQKY-UHOSZYNNSA-N 2 0 315.505 2.794 20 0 DFADRP CC[C@@H](C(=O)OC(C)(C)C)[N@@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000374073902 428662086 /nfs/dbraw/zinc/66/20/86/428662086.db2.gz FYUVQCVRXKCTKT-HNNXBMFYSA-N 2 0 310.482 2.915 20 0 DFADRP CC[N@@H+]1CCC[C@H](CNC(=O)C[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC000416146430 428676587 /nfs/dbraw/zinc/67/65/87/428676587.db2.gz UTVZSYBHESTXBS-AEFFLSMTSA-N 2 0 317.477 2.528 20 0 DFADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]C[C@@H]1CCN(c2ccccc2)C1 ZINC000152527890 274340275 /nfs/dbraw/zinc/34/02/75/274340275.db2.gz AOGDSUXIGWAICU-VXIBKDFQSA-N 2 0 301.478 2.831 20 0 DFADRP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccc(-n3cncn3)cc2)C[C@H]1C ZINC000353754712 428699231 /nfs/dbraw/zinc/69/92/31/428699231.db2.gz ZQANNGWIQJCGHW-CRAIPNDOSA-N 2 0 313.449 2.572 20 0 DFADRP CC[C@@H](C)[NH+]1CCN(C(=O)C[C@@H](c2ccccc2)[NH+](C)C)CC1 ZINC000416249162 428700802 /nfs/dbraw/zinc/70/08/02/428700802.db2.gz WGOHIWCHILVVIV-AEFFLSMTSA-N 2 0 317.477 2.622 20 0 DFADRP CCC[N@@H+]1CCC[C@H]1CNC(=O)C[C@H](c1ccccc1)[NH+](C)C ZINC000416246207 428701182 /nfs/dbraw/zinc/70/11/82/428701182.db2.gz UPASCJITMSBOCR-ZWKOTPCHSA-N 2 0 317.477 2.670 20 0 DFADRP C[C@H]([NH2+][C@@H]1CCCN(C)[C@@H]1C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000348258319 428681531 /nfs/dbraw/zinc/68/15/31/428681531.db2.gz AARYFQJTLCBBMX-ONCXSQPRSA-N 2 0 315.505 2.969 20 0 DFADRP CCN1CC[NH+](CCCC[NH2+]C[C@H]2C[C@@H]2c2ccccc2)CC1 ZINC000348262032 428683210 /nfs/dbraw/zinc/68/32/10/428683210.db2.gz HZDZAOSDNFLQQH-WOJBJXKFSA-N 2 0 315.505 2.797 20 0 DFADRP C[C@@H](CN(C)C)[NH2+]C1CCC([N@H+](C)Cc2ccccc2)CC1 ZINC000348275050 428689951 /nfs/dbraw/zinc/68/99/51/428689951.db2.gz BOCIVSXUCGYEMQ-IVMQYODDSA-N 3 0 303.494 2.969 20 0 DFADRP C[C@H](C(=O)Nc1ccccc1)N1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000348275204 428690107 /nfs/dbraw/zinc/69/01/07/428690107.db2.gz ISBQCSZACRTQRE-WBVHZDCISA-N 2 0 315.461 2.677 20 0 DFADRP CC(C)[N@@H+]1CCC[C@@H](NC(=O)C[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC000416201491 428690911 /nfs/dbraw/zinc/69/09/11/428690911.db2.gz GEPORBPTIOULJP-MSOLQXFVSA-N 2 0 317.477 2.668 20 0 DFADRP C[NH+](C)[C@H](CC(=O)N1CCC[C@@H]([NH+](C)C)CC1)c1ccccc1 ZINC000416225787 428692125 /nfs/dbraw/zinc/69/21/25/428692125.db2.gz TXXROCRBBMSLJL-QZTJIDSGSA-N 2 0 317.477 2.622 20 0 DFADRP C1C[C@]2(CO1)C[C@@H]([NH2+]C1CC[NH+](C3CCCCC3)CC1)CCO2 ZINC000374525990 428692805 /nfs/dbraw/zinc/69/28/05/428692805.db2.gz DGCCLWYYPLLKDO-PKOBYXMFSA-N 2 0 322.493 2.711 20 0 DFADRP CCC[N@H+](CC)C[C@@H](C)NC(=O)C[C@H](c1ccccc1)[NH+](C)C ZINC000416232675 428694439 /nfs/dbraw/zinc/69/44/39/428694439.db2.gz GLKOECDYALDUEP-SJLPKXTDSA-N 2 0 319.493 2.916 20 0 DFADRP COc1ccc(-c2n[nH]cc2C[NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)cc1 ZINC000344691187 428694853 /nfs/dbraw/zinc/69/48/53/428694853.db2.gz XKSNCSYBCOBDDM-XJKSGUPXSA-N 2 0 314.433 2.658 20 0 DFADRP C[C@@H]1CCC[C@H]([NH+]2CCC([NH2+]CCC3(O)CCOCC3)CC2)C1 ZINC000353866528 428753203 /nfs/dbraw/zinc/75/32/03/428753203.db2.gz MWCZHRARMQOSHP-AEFFLSMTSA-N 2 0 324.509 2.551 20 0 DFADRP OCC[N@@H+](Cc1ccc(C[NH+]2CCCCC2)cc1)CC1CC1 ZINC000411191214 428755951 /nfs/dbraw/zinc/75/59/51/428755951.db2.gz ZNIGYNXTAUXGSK-UHFFFAOYSA-N 2 0 302.462 2.877 20 0 DFADRP Cc1nc(CO[C@@H]2CCN(CCC[NH+]3CCCC3)C2)cs1 ZINC000374862805 428767158 /nfs/dbraw/zinc/76/71/58/428767158.db2.gz MLOPAKAGIKYECR-MRXNPFEDSA-N 2 0 309.479 2.528 20 0 DFADRP Cn1ccnc1CC1CC[NH+](CCCO[C@@H]2CCCCO2)CC1 ZINC000374863561 428768048 /nfs/dbraw/zinc/76/80/48/428768048.db2.gz OSROORWNDXBJDJ-GOSISDBHSA-N 2 0 321.465 2.608 20 0 DFADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CCc2cccc(C)n2)[C@@H](C)C1 ZINC000359018768 428775498 /nfs/dbraw/zinc/77/54/98/428775498.db2.gz YZPOWTDHMRXMJV-QFBILLFUSA-N 2 0 319.493 2.659 20 0 DFADRP Clc1ccc(/C=C\CN2CCN(Cc3ncc[nH]3)CC2)cc1 ZINC000353925015 428778932 /nfs/dbraw/zinc/77/89/32/428778932.db2.gz VFTKNQOOWYBTRF-UPHRSURJSA-N 2 0 316.836 2.894 20 0 DFADRP CC[NH+]1CCN(c2ccc(C[NH2+][C@H](C)C3CCC3)cn2)CC1 ZINC000353930683 428782819 /nfs/dbraw/zinc/78/28/19/428782819.db2.gz HLPOXVUVGRCAJL-OAHLLOKOSA-N 2 0 302.466 2.502 20 0 DFADRP COC(=O)C(C)(C)CC[NH2+]CCCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000353928026 428782890 /nfs/dbraw/zinc/78/28/90/428782890.db2.gz LBFJMAYLHUPXBV-HZPDHXFCSA-N 2 0 312.498 2.923 20 0 DFADRP CC(C)(C)[C@H]([NH2+]Cc1cccc(C[NH+]2CCCCC2)c1)C(N)=O ZINC000411370959 428785317 /nfs/dbraw/zinc/78/53/17/428785317.db2.gz WDQYIONGGZIVGB-QGZVFWFLSA-N 2 0 317.477 2.662 20 0 DFADRP CCOC[C@H]1CCC[C@@H]1[NH2+]Cc1ccc(OCC[NH+](C)C)cc1 ZINC000353941253 428785978 /nfs/dbraw/zinc/78/59/78/428785978.db2.gz FTNNBRLSJNTRGQ-MJGOQNOKSA-N 2 0 320.477 2.922 20 0 DFADRP COC(=O)C[C@@H]1CC[C@H]([NH2+]CCC[N@@H+]2CCCC[C@@H]2C)[C@H]1C ZINC000353944128 428789637 /nfs/dbraw/zinc/78/96/37/428789637.db2.gz JSYKXTKZKRVNBD-QAETUUGQSA-N 2 0 310.482 2.818 20 0 DFADRP COC(=O)C[C@@H]1CC[C@H]([NH2+]CCC[N@@H+]2CCCC[C@H]2C)[C@H]1C ZINC000353944130 428789968 /nfs/dbraw/zinc/78/99/68/428789968.db2.gz JSYKXTKZKRVNBD-QZWWFDLISA-N 2 0 310.482 2.818 20 0 DFADRP Cc1ccc(CCC[N@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@@H]32)cn1 ZINC000353828103 428737311 /nfs/dbraw/zinc/73/73/11/428737311.db2.gz QIPXFLYIQOTFDR-CEXWTWQISA-N 2 0 317.477 2.506 20 0 DFADRP CC[C@H](C(=O)N[C@@H](C)[C@@H](c1ccccc1)[NH+](C)C)[NH+](CC)CC ZINC000348451757 428748230 /nfs/dbraw/zinc/74/82/30/428748230.db2.gz FSAAUGUTZIDGLJ-JQHSSLGASA-N 2 0 319.493 2.914 20 0 DFADRP CC(=O)Nc1ccc(CN2CC[C@@H](C[N@H+](C)CC3CC3)C2)cc1 ZINC000354078845 428849167 /nfs/dbraw/zinc/84/91/67/428849167.db2.gz ZAJBLFUHFUMQPF-SFHVURJKSA-N 2 0 315.461 2.809 20 0 DFADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)CC1(C)CCCC1 ZINC000345195872 428794794 /nfs/dbraw/zinc/79/47/94/428794794.db2.gz JFQFLSVFEUJITE-KRWDZBQOSA-N 2 0 323.525 2.831 20 0 DFADRP C[C@H]1CC[N@H+](Cc2cccc(C[NH+]3CCCCC3)c2)C[C@@H]1O ZINC000411438918 428798273 /nfs/dbraw/zinc/79/82/73/428798273.db2.gz CYNYWVRFNRZODA-LPHOPBHVSA-N 2 0 302.462 2.875 20 0 DFADRP C[C@H](O)[C@H]1CC[N@H+](Cc2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC000411497270 428805470 /nfs/dbraw/zinc/80/54/70/428805470.db2.gz ODPJGJXEOHEJJH-LPHOPBHVSA-N 2 0 302.462 2.875 20 0 DFADRP Cc1cn2cc(NC(=O)[C@@H]3CCN3Cc3ccccc3)ccc2n1 ZINC000345255342 428815757 /nfs/dbraw/zinc/81/57/57/428815757.db2.gz UJQWADVVXYHWOC-KRWDZBQOSA-N 2 0 320.396 2.856 20 0 DFADRP CC(C)[N@@H+]1CCc2nc(CN(C)[C@@H]3CCCOC3)sc2C1 ZINC000348714424 428817023 /nfs/dbraw/zinc/81/70/23/428817023.db2.gz NSPIVVYMQOTJII-CYBMUJFWSA-N 2 0 309.479 2.520 20 0 DFADRP CN1CC[C@@H](C[N@H+](C)CCc2ccccn2)[C@@H]1c1cccnc1 ZINC000411579596 428820219 /nfs/dbraw/zinc/82/02/19/428820219.db2.gz DRRPEZUXNWVEJI-HKUYNNGSSA-N 2 0 310.445 2.644 20 0 DFADRP Cc1ccc(-c2ncc(C[NH2+]CCOCC[NH+](C)C)s2)cc1 ZINC000354192100 428906951 /nfs/dbraw/zinc/90/69/51/428906951.db2.gz VUKGPZGWZPZGGC-UHFFFAOYSA-N 2 0 319.474 2.786 20 0 DFADRP CN(CCC1CC[NH2+]CC1)Cc1nccn1Cc1ccccc1 ZINC000359184098 428855428 /nfs/dbraw/zinc/85/54/28/428855428.db2.gz BWOODDCXPGQHGM-UHFFFAOYSA-N 2 0 312.461 2.753 20 0 DFADRP O[C@]1(C(F)F)CC[N@H+](Cc2cccc(C[NH+]3CCCCC3)c2)C1 ZINC000411811362 428863574 /nfs/dbraw/zinc/86/35/74/428863574.db2.gz XUJIBJWBVVNYIE-GOSISDBHSA-N 2 0 324.415 2.874 20 0 DFADRP Cn1cc(C[C@@H]2CC[N@H+](Cc3ccc(-n4ccnc4)cc3)C2)cn1 ZINC000363134856 428867223 /nfs/dbraw/zinc/86/72/23/428867223.db2.gz MGUBAAHDGCLABZ-KRWDZBQOSA-N 2 0 321.428 2.670 20 0 DFADRP OCCC[N@H+](CCC1CC[NH2+]CC1)[C@H]1CCc2ccccc21 ZINC000359219946 428873314 /nfs/dbraw/zinc/87/33/14/428873314.db2.gz NBNGXRSABOBIMN-IBGZPJMESA-N 2 0 302.462 2.748 20 0 DFADRP c1ccc(CC[N@@H+](CCC2CC[NH2+]CC2)[C@@H]2CCOC2)cc1 ZINC000359223740 428874081 /nfs/dbraw/zinc/87/40/81/428874081.db2.gz ZQNATSUVFFEMKM-LJQANCHMSA-N 2 0 302.462 2.710 20 0 DFADRP [NH2+]=C(NCCC[NH+]1CCCCC1)N[C@H]1CCOc2ccccc21 ZINC000363170009 428874334 /nfs/dbraw/zinc/87/43/34/428874334.db2.gz BEFJIJBAZPKKFA-INIZCTEOSA-N 2 0 316.449 2.500 20 0 DFADRP CCC[C@@H](C)C[NH+]1CCC(C(=O)NCCC[NH+]2CCCC2)CC1 ZINC000348926936 428877634 /nfs/dbraw/zinc/87/76/34/428877634.db2.gz ZDOUJRBRXRYQIZ-QGZVFWFLSA-N 2 0 323.525 2.737 20 0 DFADRP Cc1cccc([C@@H](C)[NH2+]CC(=O)NC2CC[NH+](C(C)C)CC2)c1 ZINC000411884916 428878704 /nfs/dbraw/zinc/87/87/04/428878704.db2.gz XBPZQLCWUMVELX-MRXNPFEDSA-N 2 0 317.477 2.635 20 0 DFADRP CCC[NH+](CCC)CCCC(=O)N1CC[N@H+](C)C[C@@H]1C(C)C ZINC000348955069 428885426 /nfs/dbraw/zinc/88/54/26/428885426.db2.gz CDFITYZUTMACFJ-QGZVFWFLSA-N 2 0 311.514 2.687 20 0 DFADRP CCC([NH3+])(CC)CNC(=O)NC[C@H]1CCC[N@@H+]1C1CCCCC1 ZINC000418140655 428888624 /nfs/dbraw/zinc/88/86/24/428888624.db2.gz JXCAREXFQKGREP-MRXNPFEDSA-N 2 0 324.513 2.600 20 0 DFADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)Cc1ccccc1F ZINC000349062508 428911412 /nfs/dbraw/zinc/91/14/12/428911412.db2.gz MMIOHCDIFFDWNU-KRWDZBQOSA-N 2 0 307.457 2.674 20 0 DFADRP Cc1[nH+]ccc(NCCCC[NH+]2C[C@H](C)O[C@@H](C)C2)c1Cl ZINC000354154489 428890438 /nfs/dbraw/zinc/89/04/38/428890438.db2.gz CHQRHJMCLQCATJ-STQMWFEESA-N 2 0 311.857 2.767 20 0 DFADRP C[C@@H](NC(=O)[C@H](C)[N@H+](C)Cc1ccccc1)C(C)(C)C[NH+](C)C ZINC000359282686 428899798 /nfs/dbraw/zinc/89/97/98/428899798.db2.gz SVMWEHKUXGBFBS-JKSUJKDBSA-N 2 0 319.493 2.599 20 0 DFADRP CN1CC[NH+](C[C@H]2CCCN(c3cc[nH+]c4ccccc43)C2)CC1 ZINC000363406043 428912467 /nfs/dbraw/zinc/91/24/67/428912467.db2.gz KQIZKHKVESQGTH-QGZVFWFLSA-N 2 0 324.472 2.699 20 0 DFADRP CCc1cnc(CN(CC[NH+](C)C)C[C@@H]2CCC[N@H+]2CC)s1 ZINC000349061321 428912798 /nfs/dbraw/zinc/91/27/98/428912798.db2.gz ITDAWGUHJDELHE-HNNXBMFYSA-N 2 0 324.538 2.553 20 0 DFADRP CC(C)[C@@H](C[NH2+]C[C@@H](O)C[NH+]1CCCCC1)c1ccccc1 ZINC000354206484 428914083 /nfs/dbraw/zinc/91/40/83/428914083.db2.gz CPWGUWALBXGQNF-RTBURBONSA-N 2 0 304.478 2.863 20 0 DFADRP C[C@H](CCO)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000354209493 428918062 /nfs/dbraw/zinc/91/80/62/428918062.db2.gz AMLOFAQGUZGXGR-BPIHKTFHSA-N 2 0 302.462 2.790 20 0 DFADRP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+]1CCC[C@@]1(C)CCCO ZINC000349123982 428923925 /nfs/dbraw/zinc/92/39/25/428923925.db2.gz AKTNTMOIPKKHOK-SFHVURJKSA-N 2 0 314.433 2.703 20 0 DFADRP CCn1cc(CC[NH+]2CCC(C[NH+]3CCC(C)CC3)CC2)cn1 ZINC000375672690 428938347 /nfs/dbraw/zinc/93/83/47/428938347.db2.gz NJTOXKCUWRWGRQ-UHFFFAOYSA-N 2 0 318.509 2.889 20 0 DFADRP c1ccc([C@H]([NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)c2ccncn2)cc1 ZINC000423555606 428971778 /nfs/dbraw/zinc/97/17/78/428971778.db2.gz YDIDKHCMOWLYNC-BMFAXAFESA-N 2 0 308.429 2.544 20 0 DFADRP OCC[NH+]1CCC(C[NH2+][C@H](c2ccc(F)cc2)C2CC2)CC1 ZINC000359368181 428943373 /nfs/dbraw/zinc/94/33/73/428943373.db2.gz CXUBJMSSVXODKE-SFHVURJKSA-N 2 0 306.425 2.571 20 0 DFADRP Cc1cc([C@@H]([NH2+]C[C@@H](C)N2CC[NH+](C)CC2)C2CC2)ccc1F ZINC000359375164 428944092 /nfs/dbraw/zinc/94/40/92/428944092.db2.gz RYJBGJYYPAVYCN-BEFAXECRSA-N 2 0 319.468 2.811 20 0 DFADRP CC1CC[NH+](C[C@H](O)CN[C@H](c2ccc(F)cc2)C2CC2)CC1 ZINC000359379128 428945950 /nfs/dbraw/zinc/94/59/50/428945950.db2.gz DFBBTGSTFSNENB-MOPGFXCFSA-N 2 0 320.452 2.959 20 0 DFADRP CC(C)[C@H]([NH2+]CCCC[N@@H+]1CCC[C@H]1CO)c1cccnc1 ZINC000359378947 428946744 /nfs/dbraw/zinc/94/67/44/428946744.db2.gz CSRXMAWWZNUTJU-ROUUACIJSA-N 2 0 305.466 2.605 20 0 DFADRP C[C@@H]1C[N@H+](C)CC[C@H]1NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000359379683 428947556 /nfs/dbraw/zinc/94/75/56/428947556.db2.gz PGVOXXIBOKYGJI-OAGGEKHMSA-N 2 0 307.507 2.815 20 0 DFADRP [NH3+]C[C@H]1CC[C@@H](Nc2nccc3cc(Br)ccc32)C1 ZINC000420280035 428956079 /nfs/dbraw/zinc/95/60/79/428956079.db2.gz UCVASWJWKNONBO-GXFFZTMASA-N 2 0 320.234 3.537 20 0 DFADRP C[C@H](CC[N@H+](C)CCCN1CC[NH+](C)CC1)c1ccccc1 ZINC000349298051 428959418 /nfs/dbraw/zinc/95/94/18/428959418.db2.gz OENMFGHUIWMKKR-GOSISDBHSA-N 2 0 303.494 2.750 20 0 DFADRP C[N@@H+](C/C=C/c1ccc(F)cc1F)CCCN1CC[NH+](C)CC1 ZINC000349334649 428964472 /nfs/dbraw/zinc/96/44/72/428964472.db2.gz SRDKYMMVIAJUCA-HWKANZROSA-N 2 0 323.431 2.547 20 0 DFADRP CC[C@H]([NH2+][C@@H](C)CCN1CC[NH+](C)CC1)c1cccc(OC)c1 ZINC000349344731 428965913 /nfs/dbraw/zinc/96/59/13/428965913.db2.gz UHUFDBVHOZEVKC-LPHOPBHVSA-N 2 0 319.493 2.762 20 0 DFADRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+][C@H](C)c1cc2c(s1)CCC2 ZINC000349344355 428966692 /nfs/dbraw/zinc/96/66/92/428966692.db2.gz SHISTPXAPCNWGH-HUUCEWRRSA-N 2 0 321.534 2.913 20 0 DFADRP C[C@@H]([NH2+]CCC1=CC[NH2+]CC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000423536337 428968505 /nfs/dbraw/zinc/96/85/05/428968505.db2.gz HITYBKZDDATUMD-YLJYHZDGSA-N 3 0 313.489 2.796 20 0 DFADRP Cc1ccc(CC[N@@H+]2CCN(C3CC[NH+](C)CC3)[C@@H](C)C2)cc1 ZINC000363681212 428968755 /nfs/dbraw/zinc/96/87/55/428968755.db2.gz USHFLCGTBSHARH-SFHVURJKSA-N 2 0 315.505 2.638 20 0 DFADRP COc1cc(F)c([C@H](C)[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)cc1OC ZINC000423536972 428969673 /nfs/dbraw/zinc/96/96/73/428969673.db2.gz BJZOSTTUSRZJMV-XDQVBPFNSA-N 2 0 322.424 2.882 20 0 DFADRP CCCC[N@H+](C)C[C@H](C)NC(=O)C(C)(C)[C@H]([NH3+])c1ccccc1 ZINC000423777700 429016055 /nfs/dbraw/zinc/01/60/55/429016055.db2.gz SBUYALSDBYKWPA-DOTOQJQBSA-N 2 0 319.493 2.949 20 0 DFADRP [NH3+][C@@H]1CCC[C@H]1CC(=O)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000423794785 429023079 /nfs/dbraw/zinc/02/30/79/429023079.db2.gz JUGFDWLXBZDYQP-ZWKOTPCHSA-N 2 0 321.509 2.619 20 0 DFADRP C[C@@H](C1CCC1)[N@H+](C)CC(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000355067702 429027306 /nfs/dbraw/zinc/02/73/06/429027306.db2.gz YBHHTWDDCLYDAF-MAUKXSAKSA-N 2 0 317.477 2.526 20 0 DFADRP CCc1ccccc1NC(=O)C[C@H](C)[NH2+]CCC1=CC[NH2+]CC1 ZINC000423561839 428972800 /nfs/dbraw/zinc/97/28/00/428972800.db2.gz QGRBOHYIKMBSTM-HNNXBMFYSA-N 2 0 315.461 2.866 20 0 DFADRP NC1(C[NH2+][C@@H]2CC[C@H]2C2CC2)CC[NH+](Cc2ccccc2)CC1 ZINC000423577957 428974282 /nfs/dbraw/zinc/97/42/82/428974282.db2.gz TWMLFTJXQCORNA-RBUKOAKNSA-N 2 0 313.489 2.758 20 0 DFADRP CCOc1ccccc1[C@@H](C)[NH2+][C@H](C)CCN1CC[NH+](C)CC1 ZINC000349383504 428978542 /nfs/dbraw/zinc/97/85/42/428978542.db2.gz VBBSEUQVLQDUBL-IAGOWNOFSA-N 2 0 319.493 2.762 20 0 DFADRP Cc1nccn1CCCN1CCOC[C@H]1c1ccc(F)cc1 ZINC000451801166 428979387 /nfs/dbraw/zinc/97/93/87/428979387.db2.gz QBXLQACUWUCGKK-KRWDZBQOSA-N 2 0 303.381 2.794 20 0 DFADRP C[C@@H](C(=O)N(CC[NH+](C)C)C1CCCC1)[NH+]1[C@H](C)CC[C@H]1C ZINC000412198398 428980641 /nfs/dbraw/zinc/98/06/41/428980641.db2.gz WRWVOMBUJYKTKI-OAGGEKHMSA-N 2 0 309.498 2.581 20 0 DFADRP CCC[C@@H](C(=O)Nc1cc(C[NH3+])cc(C(F)(F)F)c1)[NH+](C)C ZINC000423630810 428985382 /nfs/dbraw/zinc/98/53/82/428985382.db2.gz ZBPCTPFOQWHPRG-ZDUSSCGKSA-N 2 0 317.355 2.833 20 0 DFADRP CC[N@@H+]1CC[C@@H]([NH2+]CC2(CO)CC(c3ccccc3)C2)[C@@H](C)C1 ZINC000433079739 428988793 /nfs/dbraw/zinc/98/87/93/428988793.db2.gz YGJSJGODVKTGAY-OXHPOLQJSA-N 2 0 316.489 2.863 20 0 DFADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]CC2(SC)CCC2)[C@@H](C)C1 ZINC000433093685 428994125 /nfs/dbraw/zinc/99/41/25/428994125.db2.gz RQIDGWDTUBUWCS-HOTGVXAUSA-N 2 0 314.539 2.999 20 0 DFADRP COc1ccc(OCCC[NH2+][C@@H]2CC[N@H+](C)[C@H]3CCC[C@H]32)cc1 ZINC000375849862 428995157 /nfs/dbraw/zinc/99/51/57/428995157.db2.gz IHBMPLOKAPNBRP-OTWHNJEPSA-N 2 0 318.461 2.927 20 0 DFADRP Cc1ccc([C@H](C)NC(=O)CCC[NH+]2CCC([NH3+])CC2)cc1C ZINC000433135770 428999132 /nfs/dbraw/zinc/99/91/32/428999132.db2.gz VPOIVVQEMWAJPR-INIZCTEOSA-N 2 0 317.477 2.684 20 0 DFADRP CCCc1ccccc1NC(=O)CCC[NH+]1CCC([NH3+])CC1 ZINC000433136097 428999289 /nfs/dbraw/zinc/99/92/89/428999289.db2.gz PFUGPXDCGZLEFY-UHFFFAOYSA-N 2 0 303.450 2.781 20 0 DFADRP C[NH+]1CCN(Cc2ccc(C[NH2+]C3CC(C)(C)C3)cc2)CC1 ZINC000433171887 429003394 /nfs/dbraw/zinc/00/33/94/429003394.db2.gz FONXNWSCYRVQCI-UHFFFAOYSA-N 2 0 301.478 2.712 20 0 DFADRP c1ccc([C@@H]2C[C@H]2C[NH+]2CCN(CC[NH+]3CCCC3)CC2)cc1 ZINC000349561340 429005866 /nfs/dbraw/zinc/00/58/66/429005866.db2.gz IHUZYYGOZUWRDY-PMACEKPBSA-N 2 0 313.489 2.504 20 0 DFADRP COCC[N@H+](CCC[NH+]1CCCCC1)[C@H]1CCCSC1 ZINC000433205314 429011109 /nfs/dbraw/zinc/01/11/09/429011109.db2.gz KMKRHSZWOMPRCU-INIZCTEOSA-N 2 0 300.512 2.706 20 0 DFADRP CC(C)[NH+]1CCN([C@@H]2CC[N@H+](Cc3cccc(Cl)c3)C2)CC1 ZINC000375907431 429013035 /nfs/dbraw/zinc/01/30/35/429013035.db2.gz SCGAJTMHDQSNGA-GOSISDBHSA-N 2 0 321.896 2.940 20 0 DFADRP [NH3+][C@H](CCC(=O)NCC[C@H]1CCC[NH2+]C1)CC1CCCCC1 ZINC000424081517 429089202 /nfs/dbraw/zinc/08/92/02/429089202.db2.gz VHVIAIVEZIJGOI-IAGOWNOFSA-N 2 0 309.498 2.570 20 0 DFADRP C/C=C\COc1ccc(CC[C@H](C)[NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)cc1 ZINC000423447760 429089396 /nfs/dbraw/zinc/08/93/96/429089396.db2.gz AFLMHCCCZKMBJK-MAPBGCFFSA-N 2 0 300.446 2.770 20 0 DFADRP COc1ccc([C@H](C)[NH2+]C[C@H]2CCC[C@H]([NH3+])C2)cc1NC(C)=O ZINC000423454672 429090457 /nfs/dbraw/zinc/09/04/57/429090457.db2.gz CZUDWZONMSHPOQ-NOLJZWGESA-N 2 0 319.449 2.822 20 0 DFADRP CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)[C@@H]([NH3+])CC1CCCCC1 ZINC000423453232 429091031 /nfs/dbraw/zinc/09/10/31/429091031.db2.gz ZXQGOIOHRXUNOD-SJORKVTESA-N 2 0 309.498 2.617 20 0 DFADRP CC[C@H]([NH3+])CN[C@@H]1CC[N@H+](Cc2ccccc2)[C@H]2CCC[C@@H]21 ZINC000423466283 429091798 /nfs/dbraw/zinc/09/17/98/429091798.db2.gz NHZWTDWIAGHJHK-MANSERQUSA-N 2 0 301.478 2.757 20 0 DFADRP C[C@H]([NH2+]C[C@H]1CCNCC1(F)F)c1ccc(-n2ccnc2)cc1 ZINC000423463612 429093105 /nfs/dbraw/zinc/09/31/05/429093105.db2.gz ASGDRGSQEPMVQD-DZGCQCFKSA-N 3 0 320.387 2.768 20 0 DFADRP COc1cc2c(cc1OC)[C@H]([NH2+]C[C@@H]1CCC[C@H]([NH3+])C1)CC2 ZINC000423475557 429094115 /nfs/dbraw/zinc/09/41/15/429094115.db2.gz QAFXSROSFOEBDT-IVMMDQJWSA-N 2 0 304.434 2.798 20 0 DFADRP C[C@H](CC(=O)N(C)c1ccccc1)[NH2+]CCC[C@H]1CCC[NH2+]1 ZINC000423475921 429094168 /nfs/dbraw/zinc/09/41/68/429094168.db2.gz IHLQJSNVZHTWLL-CVEARBPZSA-N 2 0 303.450 2.550 20 0 DFADRP C[C@H]([NH3+])[C@H](C)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@H]2CCC[C@H]21 ZINC000423479997 429094672 /nfs/dbraw/zinc/09/46/72/429094672.db2.gz VWKOKZNMOKMRSY-JAQSECSASA-N 2 0 301.478 2.755 20 0 DFADRP COCCc1nc(C)c([C@@H](C)[NH2+]CCC[C@H]2CCC[NH2+]2)s1 ZINC000423484875 429096104 /nfs/dbraw/zinc/09/61/04/429096104.db2.gz REXUMZSKOQECDI-OCCSQVGLSA-N 2 0 311.495 2.823 20 0 DFADRP [NH3+][C@@H](CCC(=O)NCCC[NH+]1CCCC1)CC1CCCCC1 ZINC000424130349 429096378 /nfs/dbraw/zinc/09/63/78/429096378.db2.gz FBJWDIJLZKLQAM-KRWDZBQOSA-N 2 0 309.498 2.666 20 0 DFADRP CC[C@H]([NH3+])CN[C@H](C)c1ccc(OC)c(Br)c1 ZINC000423482210 429096475 /nfs/dbraw/zinc/09/64/75/429096475.db2.gz XHVACXGLADYJKB-KOLCDFICSA-N 2 0 301.228 2.846 20 0 DFADRP C[C@@H](CC(=O)N1CCCCCC1)[NH2+]C1CC([NH+]2CCCCC2)C1 ZINC000376022036 429042889 /nfs/dbraw/zinc/04/28/89/429042889.db2.gz QXDXJNJOFQKYDK-AOCRQIFASA-N 2 0 321.509 2.774 20 0 DFADRP CC[C@H](O)C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H]2CCC[C@@H]21 ZINC000421872219 429043798 /nfs/dbraw/zinc/04/37/98/429043798.db2.gz GNTPSLVLIJUBLJ-MANSERQUSA-N 2 0 302.462 2.790 20 0 DFADRP CO[C@@H]1CCCC[C@H]1[NH2+][C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422969988 429052469 /nfs/dbraw/zinc/05/24/69/429052469.db2.gz VOILQYITEMMRJQ-PSBWJHGTSA-N 2 0 316.445 2.790 20 0 DFADRP CC(C)([NH3+])CN[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000423287397 429058567 /nfs/dbraw/zinc/05/85/67/429058567.db2.gz MAJPPCWJQPCARF-KZNAEPCWSA-N 2 0 301.478 2.757 20 0 DFADRP COc1ccccc1NC(=O)C[C@H](C)[NH2+][C@@H]1CCCC[C@H]1C[NH3+] ZINC000423285255 429059001 /nfs/dbraw/zinc/05/90/01/429059001.db2.gz YYLHRNWUNOSTPJ-SOUVJXGZSA-N 2 0 319.449 2.519 20 0 DFADRP CCc1ccccc1[C@H]([NH3+])CNC(=O)[C@@H]([NH3+])CC1CCCCC1 ZINC000423938969 429059717 /nfs/dbraw/zinc/05/97/17/429059717.db2.gz KZMNIUBTHJIHAR-ZWKOTPCHSA-N 2 0 317.477 2.663 20 0 DFADRP Cc1c([C@H](C)[NH2+]CCC[C@H]2CCC[NH2+]2)nnn1-c1ccccc1 ZINC000423481901 429096950 /nfs/dbraw/zinc/09/69/50/429096950.db2.gz OQYLMMGYIYYMPR-HOCLYGCPSA-N 2 0 313.449 2.759 20 0 DFADRP C[C@@H]([NH3+])c1ccc(C(=O)N[C@@H](C[NH+](C)C)c2ccccc2)cc1 ZINC000423307598 429060070 /nfs/dbraw/zinc/06/00/70/429060070.db2.gz HJCFYTDWKXANGN-KDOFPFPSSA-N 2 0 311.429 2.739 20 0 DFADRP C[C@H](C[NH3+])C[NH2+][C@@H]1CCCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000423306559 429060214 /nfs/dbraw/zinc/06/02/14/429060214.db2.gz LTZBMNTYPXBVMT-GSEOLPGOSA-N 2 0 315.505 2.862 20 0 DFADRP CCOC(=O)[C@H]1CC[C@H](N[C@H]2CCC[NH2+]C2)c2ccccc21 ZINC000423304717 429060315 /nfs/dbraw/zinc/06/03/15/429060315.db2.gz OYZXYWQWIKGDQH-JQFCIGGWSA-N 2 0 302.418 2.510 20 0 DFADRP CCC[NH+](CCC)CCCNC(=O)C1C[C@H]2CCC[C@@H](C1)C2[NH3+] ZINC000376117650 429060551 /nfs/dbraw/zinc/06/05/51/429060551.db2.gz PZUKNYIALKQXRB-OQSMONGASA-N 2 0 323.525 2.768 20 0 DFADRP C[C@H]([NH3+])c1ccc(C(=O)NCc2ccccc2C[NH+](C)C)cc1 ZINC000423310555 429060725 /nfs/dbraw/zinc/06/07/25/429060725.db2.gz NVVYQJLPGRHVLR-AWEZNQCLSA-N 2 0 311.429 2.698 20 0 DFADRP C[C@H]([NH3+])c1ccc(C(=O)N2CCC([NH+]3CCCCC3)CC2)cc1 ZINC000423320135 429061705 /nfs/dbraw/zinc/06/17/05/429061705.db2.gz MBINDUOYCNCFJO-HNNXBMFYSA-N 2 0 315.461 2.797 20 0 DFADRP C[C@H]([NH2+]C[C@]1(C)CCC[NH2+]C1)c1ccc2c(c1)OCCCO2 ZINC000423320513 429062168 /nfs/dbraw/zinc/06/21/68/429062168.db2.gz FJIZFAZIIPDAIP-KBXCAEBGSA-N 2 0 304.434 2.888 20 0 DFADRP CC(C)C[C@@H](C[NH+](C)C)NC(=O)C(C)(C)[C@@H]([NH3+])c1ccccc1 ZINC000423318149 429062302 /nfs/dbraw/zinc/06/23/02/429062302.db2.gz CQPIZCOYSWNCLT-IRXDYDNUSA-N 2 0 319.493 2.805 20 0 DFADRP C[C@H]1CCCC[N@@H+]1CCCCNC(=O)[C@@H]1[NH2+]CCCC1(C)C ZINC000423321049 429062731 /nfs/dbraw/zinc/06/27/31/429062731.db2.gz FXMSKWXDGPDQMQ-HOTGVXAUSA-N 2 0 309.498 2.535 20 0 DFADRP [NH3+]CCCC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000423322329 429063360 /nfs/dbraw/zinc/06/33/60/429063360.db2.gz IFRCMZYYERQIHR-GUDVDZBRSA-N 3 0 301.478 2.758 20 0 DFADRP CC[NH+](CC)Cc1cccc(CNC(=O)[C@@H]2C[C@H](C)CC[NH2+]2)c1 ZINC000423327930 429064843 /nfs/dbraw/zinc/06/48/43/429064843.db2.gz NJAWNRKCFMBGDB-QAPCUYQASA-N 2 0 317.477 2.533 20 0 DFADRP Fc1cc(Br)cc2c1CC[C@@H]2[NH2+]C[C@@H]1CC[NH2+]C1 ZINC000423326545 429065188 /nfs/dbraw/zinc/06/51/88/429065188.db2.gz CJYUHHSDURRJQQ-OTYXRUKQSA-N 2 0 313.214 2.775 20 0 DFADRP [NH3+]C1(C[NH2+][C@@H](Cc2ccccc2Cl)[C@H]2CCCO2)CCC1 ZINC000423326961 429065384 /nfs/dbraw/zinc/06/53/84/429065384.db2.gz KVKKAGJKEDYBOW-JKSUJKDBSA-N 2 0 308.853 2.901 20 0 DFADRP Cc1nn(C)c2sc([C@@H](C)[NH2+]CC3(C)CC[NH2+]CC3)cc12 ZINC000423329723 429065961 /nfs/dbraw/zinc/06/59/61/429065961.db2.gz NFEKKMYXBQGMOU-GFCCVEGCSA-N 2 0 306.479 2.984 20 0 DFADRP [NH3+]C1(C[NH2+][C@H]2CCc3cccc(Br)c3C2)CCC1 ZINC000423326982 429066055 /nfs/dbraw/zinc/06/60/55/429066055.db2.gz MPWDEKBNJGJVCU-LBPRGKRZSA-N 2 0 309.251 2.777 20 0 DFADRP C[N@@H+]1CC[C@H](NC[C@]2(C)CCC[NH2+]C2)C[C@@H]1c1ccccc1 ZINC000423326550 429066063 /nfs/dbraw/zinc/06/60/63/429066063.db2.gz CKLVIOUFXQVXDQ-IPMKNSEASA-N 2 0 301.478 2.801 20 0 DFADRP C[C@H]([NH3+])c1ccc(C(=O)NC[C@H](C)[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000423329570 429066373 /nfs/dbraw/zinc/06/63/73/429066373.db2.gz MVTSHFJSKMCJKC-ILXRZTDVSA-N 2 0 303.450 2.557 20 0 DFADRP Cn1ccnc1[C@@H]([NH2+]CC1(C)CC[NH2+]CC1)c1cccc(F)c1 ZINC000423334038 429067361 /nfs/dbraw/zinc/06/73/61/429067361.db2.gz QHVMSRMNRQULLZ-INIZCTEOSA-N 2 0 316.424 2.628 20 0 DFADRP C[C@H]([NH3+])c1ccc(C(=O)NC[C@H](C)C[NH+]2CCCCC2)cc1 ZINC000423339031 429067495 /nfs/dbraw/zinc/06/74/95/429067495.db2.gz BJZCEBMADYKJRJ-GJZGRUSLSA-N 2 0 303.450 2.558 20 0 DFADRP C[C@@H]([NH2+]CC1(C)CC[NH2+]CC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000423337850 429067901 /nfs/dbraw/zinc/06/79/01/429067901.db2.gz UGPOWPZGJHSQOR-IEBWSBKVSA-N 3 0 315.505 2.876 20 0 DFADRP C[C@H](C[NH3+])N[C@@H]1CCCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000423331994 429068592 /nfs/dbraw/zinc/06/85/92/429068592.db2.gz QPVIQIMSMBVGLR-XGXHKWSGSA-N 2 0 301.478 2.614 20 0 DFADRP [NH3+]C1(CN[C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)CCC1 ZINC000423337420 429068753 /nfs/dbraw/zinc/06/87/53/429068753.db2.gz VNZXTSQCRMOQMB-GUDVDZBRSA-N 2 0 313.489 2.758 20 0 DFADRP C[C@H](NC[C@@]1(C)CCC[NH2+]C1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000423345616 429069677 /nfs/dbraw/zinc/06/96/77/429069677.db2.gz PGPGUZCNRPCAFH-IHPCNDPISA-N 2 0 315.505 2.876 20 0 DFADRP COc1cc([C@@H](C)[NH2+]C[C@@H]2CC[NH2+]C2)ccc1OC(F)F ZINC000423349858 429070138 /nfs/dbraw/zinc/07/01/38/429070138.db2.gz WKEMPNZFAVAVGB-GHMZBOCLSA-N 2 0 300.349 2.557 20 0 DFADRP C[C@@H]1C[C@H](NC[C@]2(C)CCC[NH2+]C2)C[N@@H+]1Cc1ccccc1 ZINC000423343607 429070172 /nfs/dbraw/zinc/07/01/72/429070172.db2.gz XACXHDQBMOOVMV-NZSAHSFTSA-N 2 0 301.478 2.629 20 0 DFADRP C[C@@H]([NH3+])c1ccc(C(=O)NCC[N@H+](C)C2CCCCC2)cc1 ZINC000423345336 429070805 /nfs/dbraw/zinc/07/08/05/429070805.db2.gz YTXIRCNOILOXCC-CQSZACIVSA-N 2 0 303.450 2.701 20 0 DFADRP CC(C)[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]([NH3+])CC2CCCCC2)C1 ZINC000423363734 429071407 /nfs/dbraw/zinc/07/14/07/429071407.db2.gz VCWHTZHGGVUARV-IRXDYDNUSA-N 2 0 309.498 2.521 20 0 DFADRP Fc1ccc([C@H](C[C@@H]2CCOC2)[NH2+]CC2=CC[NH2+]CC2)cc1 ZINC000423363396 429071481 /nfs/dbraw/zinc/07/14/81/429071481.db2.gz YQAMFVZTQSBJAY-YJBOKZPZSA-N 2 0 304.409 2.803 20 0 DFADRP C[C@@H]1C[C@@H](N[C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)CC[NH2+]1 ZINC000423370677 429075043 /nfs/dbraw/zinc/07/50/43/429075043.db2.gz DUCKBAVCGUYBNY-JUSBFGHESA-N 2 0 313.489 2.912 20 0 DFADRP COc1cc(NC(C)=O)ccc1[C@H](C)[NH2+][C@H]1CCC[C@@H]([NH3+])C1 ZINC000423367482 429075236 /nfs/dbraw/zinc/07/52/36/429075236.db2.gz COKZIWQYWFCTIY-YUTCNCBUSA-N 2 0 305.422 2.574 20 0 DFADRP Cc1ccc([C@@H](C)[NH2+]C[C@H](N2CC[NH2+]CC2)C(F)(F)F)s1 ZINC000423381052 429076610 /nfs/dbraw/zinc/07/66/10/429076610.db2.gz HPVHSMDNZBOTIO-YPMHNXCESA-N 2 0 321.412 2.543 20 0 DFADRP Cn1cc(CC[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)cn1 ZINC000376208395 429076852 /nfs/dbraw/zinc/07/68/52/429076852.db2.gz GTBVSUABGZLFSS-IHWFROFDSA-N 2 0 324.472 2.748 20 0 DFADRP CC[C@@H]([NH2+]C[C@H](N1CC[NH2+]CC1)C(F)(F)F)C1CCCCC1 ZINC000423381024 429077456 /nfs/dbraw/zinc/07/74/56/429077456.db2.gz HOWUUSVRVYFWNG-CABCVRRESA-N 2 0 321.431 2.771 20 0 DFADRP CC(C)[C@H]([NH2+]C[C@@H]1C[NH2+]C[C@H]1O)c1ccc(C(F)(F)F)cc1 ZINC000423395789 429078373 /nfs/dbraw/zinc/07/83/73/429078373.db2.gz AVFPLFKUGVJRJW-CFVMTHIKSA-N 2 0 316.367 2.572 20 0 DFADRP C[NH2+][C@H](C)CN[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H]2CCC[C@H]21 ZINC000423396213 429079541 /nfs/dbraw/zinc/07/95/41/429079541.db2.gz RNPYWHOFPNBSFO-QXCFHYIPSA-N 2 0 301.478 2.627 20 0 DFADRP C[C@@H]1C[NH2+]CC[C@@H]1[NH2+][C@@H](C[C@H]1CCOC1)c1ccc(F)cc1 ZINC000423391287 429080152 /nfs/dbraw/zinc/08/01/52/429080152.db2.gz KQVRCBCNZTUGRS-KNCCTNLNSA-N 2 0 306.425 2.881 20 0 DFADRP CC1(C)C[NH2+][C@@H]1C1CCN(C(=O)[C@H]2CCCCCC[C@H]2[NH3+])CC1 ZINC000424035087 429080323 /nfs/dbraw/zinc/08/03/23/429080323.db2.gz PBWSGXILWIZAMU-GVDBMIGSSA-N 2 0 321.509 2.521 20 0 DFADRP CC(C)CC[C@H]([NH2+]C[C@@H]1C[NH2+]C[C@H]1O)c1ccc(Cl)cc1 ZINC000423407194 429081635 /nfs/dbraw/zinc/08/16/35/429081635.db2.gz LWSCBKRRMPBSLH-BHYGNILZSA-N 2 0 310.869 2.987 20 0 DFADRP COCC1(C[NH2+][C@@H]2CC(C)(C)Cc3occc32)CC[NH2+]CC1 ZINC000423406304 429081729 /nfs/dbraw/zinc/08/17/29/429081729.db2.gz KLUMQIKRIRFUPE-OAHLLOKOSA-N 2 0 306.450 2.899 20 0 DFADRP CC1(C)C[NH2+][C@H]1C1CCN(C(=O)CC2(C[NH3+])CCCCC2)CC1 ZINC000424038823 429081980 /nfs/dbraw/zinc/08/19/80/429081980.db2.gz IZLAVCMKHSNYCP-KRWDZBQOSA-N 2 0 321.509 2.522 20 0 DFADRP COc1cc(C)c(C[C@H](C)[NH2+][C@H]2CC[NH2+]C[C@@H]2C)cc1OC ZINC000423407426 429082129 /nfs/dbraw/zinc/08/21/29/429082129.db2.gz VTSKGGZUOKVCIZ-DZKIICNBSA-N 2 0 306.450 2.531 20 0 DFADRP C[C@@H]1C[NH2+]CC[C@@H]1[NH2+][C@H]1C[C@H](OCc2ccccc2)C1(C)C ZINC000423403418 429082324 /nfs/dbraw/zinc/08/23/24/429082324.db2.gz SEYSXCDFRRCQLB-UBDQQSCGSA-N 2 0 302.462 2.958 20 0 DFADRP COCC1(C[NH2+][C@@H]2CCCOc3ccc(C)cc32)CC[NH2+]CC1 ZINC000423402284 429082464 /nfs/dbraw/zinc/08/24/64/429082464.db2.gz GYHKEMSLCGMAMB-QGZVFWFLSA-N 2 0 318.461 2.815 20 0 DFADRP COCC1(C[NH2+][C@H](C)c2nc3c(s2)CCCC3)CC[NH2+]CC1 ZINC000423413730 429083454 /nfs/dbraw/zinc/08/34/54/429083454.db2.gz ZWRHXOJCAJGVFX-CYBMUJFWSA-N 2 0 323.506 2.689 20 0 DFADRP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)c1ccc([C@@H](C)[NH3+])cc1 ZINC000423415003 429083751 /nfs/dbraw/zinc/08/37/51/429083751.db2.gz CZHKRDBRMGZBFV-RHSMWYFYSA-N 2 0 303.450 2.701 20 0 DFADRP CCO[C@@H]1C[C@@H]([NH2+]CC2(COC)CC[NH2+]CC2)C12CCCCC2 ZINC000423413533 429083789 /nfs/dbraw/zinc/08/37/89/429083789.db2.gz ZJSGTEUNJDMPQU-IAGOWNOFSA-N 2 0 324.509 2.720 20 0 DFADRP [NH3+][C@H](CC1CCCCC1)C(=O)N[C@@H]1CC[N@H+](CC2CCCC2)C1 ZINC000423419293 429084937 /nfs/dbraw/zinc/08/49/37/429084937.db2.gz VOYQBPHXOFKBOD-QZTJIDSGSA-N 2 0 321.509 2.665 20 0 DFADRP COC[C@@]1(C[NH2+][C@@H](Cc2ccc(C)cc2)C(C)C)CCC[NH2+]1 ZINC000423419327 429085704 /nfs/dbraw/zinc/08/57/04/429085704.db2.gz VTWVMQFAZZARQZ-OALUTQOASA-N 2 0 304.478 2.920 20 0 DFADRP CC[N@@H+]1CC[C@H](N(C)C(=O)c2ccc([C@H](C)[NH3+])cc2)[C@H](C)C1 ZINC000423415737 429085806 /nfs/dbraw/zinc/08/58/06/429085806.db2.gz AZNHHNCKTIGDAS-KEYYUXOJSA-N 2 0 303.450 2.509 20 0 DFADRP C[C@H]([NH3+])[C@H](C)N[C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000423433438 429087072 /nfs/dbraw/zinc/08/70/72/429087072.db2.gz CJRIWNDCFOBOFA-BHEBFOIGSA-N 2 0 301.478 2.612 20 0 DFADRP C[C@@H]1CCCN(C(=O)CC[C@@H]([NH3+])CC2CCCCC2)[C@H]1C[NH3+] ZINC000424077076 429088204 /nfs/dbraw/zinc/08/82/04/429088204.db2.gz NIUGQRRBBHHWEF-OIISXLGYSA-N 2 0 309.498 2.650 20 0 DFADRP [NH3+][C@@H](CCC(=O)NCC[C@@H]1CCC[NH2+]C1)CC1CCCCC1 ZINC000424081521 429088868 /nfs/dbraw/zinc/08/88/68/429088868.db2.gz VHVIAIVEZIJGOI-IRXDYDNUSA-N 2 0 309.498 2.570 20 0 DFADRP Cc1cc(C[NH3+])cc(NC(=O)NC[C@@H]2CC[N@@H+](CC(C)C)C2)c1 ZINC000424434496 429142894 /nfs/dbraw/zinc/14/28/94/429142894.db2.gz JXUDUNOTCQROEN-HNNXBMFYSA-N 2 0 318.465 2.553 20 0 DFADRP Cn1ccnc1C[N@H+](CC1CCCC1)[C@H]1CC12CC[NH2+]CC2 ZINC000435432362 429143104 /nfs/dbraw/zinc/14/31/04/429143104.db2.gz IOVZZMUWFRCTJQ-INIZCTEOSA-N 2 0 302.466 2.554 20 0 DFADRP Cc1noc(C)c1CN(Cc1ccccn1)[C@@H]1CCC[NH2+]CC1 ZINC000435615109 429152055 /nfs/dbraw/zinc/15/20/55/429152055.db2.gz GRNMYCXPAJBSLV-QGZVFWFLSA-N 2 0 314.433 2.831 20 0 DFADRP CCc1ccc(-c2noc(CN(C)[C@@H]3CCC[NH2+]CC3)n2)cc1 ZINC000435617013 429154066 /nfs/dbraw/zinc/15/40/66/429154066.db2.gz NRBYHJKSHMGKGM-MRXNPFEDSA-N 2 0 314.433 2.873 20 0 DFADRP C[C@@H]1C[C@H](NC(=O)CC[C@@H]([NH3+])CC2CCCCC2)C[N@@H+]1C1CC1 ZINC000424138978 429098471 /nfs/dbraw/zinc/09/84/71/429098471.db2.gz CTWDVHAKBMWYCZ-OIISXLGYSA-N 2 0 321.509 2.806 20 0 DFADRP Clc1cccc([C@@H]2CC[C@@H]([NH2+]C[C@H]3C[NH2+]CCCO3)C2)c1 ZINC000423492843 429098576 /nfs/dbraw/zinc/09/85/76/429098576.db2.gz OVGKWHMGCMYAMP-DJIMGWMZSA-N 2 0 308.853 2.944 20 0 DFADRP [NH3+]C[C@H]1CC[C@H]([NH2+]C2CCN(c3ccc(F)cc3F)CC2)C1 ZINC000423496062 429098704 /nfs/dbraw/zinc/09/87/04/429098704.db2.gz VZNOMZNIFMLOSJ-WFASDCNBSA-N 2 0 309.404 2.651 20 0 DFADRP C[C@@H](CNC(=O)CC[C@H]([NH3+])CC1CCCCC1)[N@H+](C)C1CC1 ZINC000424143228 429098804 /nfs/dbraw/zinc/09/88/04/429098804.db2.gz FNTNQDFFPMTFMQ-HOCLYGCPSA-N 2 0 309.498 2.663 20 0 DFADRP CC(C)NC(=O)Nc1ccc([C@H](C)[NH2+][C@@H]2CC[C@H](C[NH3+])C2)cc1 ZINC000423498094 429099622 /nfs/dbraw/zinc/09/96/22/429099622.db2.gz ZXTNWSDEOKDFQL-GRDNDAEWSA-N 2 0 318.465 2.995 20 0 DFADRP CC(C)C[C@@H](C[NH+]1CCCC1)NC(=O)CC[C@@H]1CCCC[N@@H+]1C ZINC000452346435 429099660 /nfs/dbraw/zinc/09/96/60/429099660.db2.gz VQXYGIDTSVZTDS-ROUUACIJSA-N 2 0 323.525 2.878 20 0 DFADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1N[C@H](C[NH3+])C1CCCC1 ZINC000423507888 429103429 /nfs/dbraw/zinc/10/34/29/429103429.db2.gz IRJXDPUQARRYNW-ATZDWAIDSA-N 2 0 301.478 2.614 20 0 DFADRP C[C@@H]1[C@H]([NH2+][C@@H]2CC[C@H](C[NH3+])C2)CCCN1Cc1ccccc1 ZINC000423507464 429104411 /nfs/dbraw/zinc/10/44/11/429104411.db2.gz MUBJMIQHJGQHIH-QXCFHYIPSA-N 2 0 301.478 2.757 20 0 DFADRP CC[N@H+](Cc1ccc(C(=O)NC2(C)CC[NH2+]CC2)cc1)C1CC1 ZINC000434678840 429105078 /nfs/dbraw/zinc/10/50/78/429105078.db2.gz KYNZVZLTQONPBL-UHFFFAOYSA-N 2 0 315.461 2.543 20 0 DFADRP Cc1ccc2c(c1)[C@@H]([NH2+]C1CCC([NH+]3CCNCC3)CC1)CC2 ZINC000423526628 429108185 /nfs/dbraw/zinc/10/81/85/429108185.db2.gz ZRNNHUIYKDLEGH-QLOJAFMTSA-N 2 0 313.489 2.788 20 0 DFADRP Cc1ccsc1[C@H](C)[NH2+]C1CCC([NH+]2CCNCC2)CC1 ZINC000423526446 429108351 /nfs/dbraw/zinc/10/83/51/429108351.db2.gz ZINYGHLZRMHUFO-FHERZECASA-N 2 0 307.507 2.924 20 0 DFADRP CCc1ccc([C@H](C)[NH2+]C2CCC(N3CC[NH2+]CC3)CC2)o1 ZINC000423526916 429109167 /nfs/dbraw/zinc/10/91/67/429109167.db2.gz ZZMXDQQOKZZPGL-FHERZECASA-N 2 0 305.466 2.709 20 0 DFADRP CC(C)(C)[NH+]1CCC(N[C@@H]2C[NH2+]C[C@H]2c2ccccc2)CC1 ZINC000423529496 429110576 /nfs/dbraw/zinc/11/05/76/429110576.db2.gz OETCIMAZSSRWRY-ZWKOTPCHSA-N 2 0 301.478 2.595 20 0 DFADRP C[N@H+](CC1CC1)C[C@@H]1CCN(C[C@H](C[NH3+])c2ccc(F)cc2)C1 ZINC000424277133 429118347 /nfs/dbraw/zinc/11/83/47/429118347.db2.gz BLZVVAKIUKDVAW-WMZOPIPTSA-N 2 0 319.468 2.532 20 0 DFADRP [NH3+]CCCN(C[C@@H](C[NH3+])c1ccc(F)cc1)CC1CCCC1 ZINC000424283930 429119232 /nfs/dbraw/zinc/11/92/32/429119232.db2.gz NPDZCSSKVCBFQR-QGZVFWFLSA-N 2 0 307.457 2.709 20 0 DFADRP Cc1ccc(F)cc1C[NH+]1CCC(n2ncc3c2C[NH2+]C3)CC1 ZINC000424284610 429119421 /nfs/dbraw/zinc/11/94/21/429119421.db2.gz DHORTJMECBFVEI-UHFFFAOYSA-N 2 0 314.408 2.771 20 0 DFADRP Cc1ccc(NC(=O)C[N@H+]2CC3(C[C@H]2C)CC[NH2+]CC3)cc1C ZINC000424287475 429120209 /nfs/dbraw/zinc/12/02/09/429120209.db2.gz IVXUZLXQUDGYRD-MRXNPFEDSA-N 2 0 315.461 2.706 20 0 DFADRP C[C@@H]1CC2(C[N@@H+]1CCC(=O)Nc1cccc(F)c1)CC[NH2+]CC2 ZINC000424296664 429121130 /nfs/dbraw/zinc/12/11/30/429121130.db2.gz SDOMQLCKLMZZGH-CQSZACIVSA-N 2 0 319.424 2.618 20 0 DFADRP C[N@H+](CCSCC[NH+]1CCCOCC1)Cc1ccccc1 ZINC000413008594 429121957 /nfs/dbraw/zinc/12/19/57/429121957.db2.gz YIBUSVWECIMDBW-UHFFFAOYSA-N 2 0 308.491 2.574 20 0 DFADRP CCOc1ccc(OCC[N@@H+]2CC3(C[C@H]2C)CC[NH2+]CC3)cc1 ZINC000424300544 429122322 /nfs/dbraw/zinc/12/23/22/429122322.db2.gz WPSNUKDZVSJFPB-MRXNPFEDSA-N 2 0 318.461 2.928 20 0 DFADRP C[C@H]1CC2(C[N@@H+]1Cc1ccc(-n3ccnc3)cc1)CC[NH2+]CC2 ZINC000424298341 429122398 /nfs/dbraw/zinc/12/23/98/429122398.db2.gz ULQJBCMSAJTGPX-INIZCTEOSA-N 2 0 310.445 2.836 20 0 DFADRP CCOc1ccccc1OCC[N@@H+]1CC2(C[C@@H]1C)CC[NH2+]CC2 ZINC000424299933 429123270 /nfs/dbraw/zinc/12/32/70/429123270.db2.gz WGOLCNPSXRDZRH-INIZCTEOSA-N 2 0 318.461 2.928 20 0 DFADRP CCOC(=O)CC(C)(C)CC[N@@H+]1CCC[C@H]1CN1CCCC1 ZINC000376503065 429124186 /nfs/dbraw/zinc/12/41/86/429124186.db2.gz RVOMNNCTXLHEKU-INIZCTEOSA-N 2 0 310.482 2.916 20 0 DFADRP CN1CC[N@H+](C[C@H](C[NH3+])c2ccc(F)cc2)Cc2ccccc21 ZINC000424307460 429124932 /nfs/dbraw/zinc/12/49/32/429124932.db2.gz XPLUWLIMLCEWKT-KRWDZBQOSA-N 2 0 313.420 2.820 20 0 DFADRP COC(=O)CC1CC([NH2+]C[C@H]2CCC[N@@H+]2CC2CCCCC2)C1 ZINC000424324685 429126479 /nfs/dbraw/zinc/12/64/79/429126479.db2.gz XAGXONUAFPNTQG-DAWZGUTISA-N 2 0 322.493 2.962 20 0 DFADRP [NH3+][C@@H]1CCCC[C@H]1[NH2+]CCCc1nc(-c2ccccc2)no1 ZINC000424329358 429128654 /nfs/dbraw/zinc/12/86/54/429128654.db2.gz GDRWNXMWBBKTRN-HUUCEWRRSA-N 2 0 300.406 2.529 20 0 DFADRP C[NH2+]C[C@@H]1CCC[N@H+](C[C@H](C)Cc2ccc(OC)c(F)c2)C1 ZINC000435369888 429134090 /nfs/dbraw/zinc/13/40/90/429134090.db2.gz GKAYJBGRKCZYNY-ZBFHGGJFSA-N 2 0 308.441 2.944 20 0 DFADRP C[C@@H]([NH3+])[C@H]1CC[N@H+](Cc2ccccc2OCc2cccnc2)C1 ZINC000435374382 429135323 /nfs/dbraw/zinc/13/53/23/429135323.db2.gz IMOYDYRQEAZEEU-WBVHZDCISA-N 2 0 311.429 2.830 20 0 DFADRP CC[C@H]([NH3+])CNc1cc[nH+]c2cc(OC)c(Br)cc12 ZINC000424407929 429136025 /nfs/dbraw/zinc/13/60/25/429136025.db2.gz CYXGFXOZWSNDDF-VIFPVBQESA-N 2 0 324.222 2.577 20 0 DFADRP Cc1ccc(-c2n[nH]cc2C[N@@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)o1 ZINC000435377805 429136491 /nfs/dbraw/zinc/13/64/91/429136491.db2.gz FKJQGFINFPEXRP-AEGPPILISA-N 2 0 300.406 2.537 20 0 DFADRP CC(C)[NH+]1CCC(C(=O)N2CC[N@H+](C)CC23CCCCC3)CC1 ZINC000487501033 429157973 /nfs/dbraw/zinc/15/79/73/429157973.db2.gz NXQKHONYTHTBBF-UHFFFAOYSA-N 2 0 321.509 2.584 20 0 DFADRP O[C@@H]1CCC[C@H]1[NH+]1CCC([NH2+][C@@H]2CCc3ccccc32)CC1 ZINC000271497487 275053627 /nfs/dbraw/zinc/05/36/27/275053627.db2.gz LMHJWIRYTZQUKS-GUDVDZBRSA-N 2 0 300.446 2.641 20 0 DFADRP COc1ccsc1[C@H](C)[NH2+]C[C@@H]1CCC[C@@H]1N1CCOCC1 ZINC000364304120 429177939 /nfs/dbraw/zinc/17/79/39/429177939.db2.gz BXVKKSWWGOZWOA-KKUMJFAQSA-N 2 0 324.490 2.908 20 0 DFADRP OC[C@@H]1CCC[N@@H+]1CCCC[NH2+]Cc1cc2c(cccc2F)[nH]1 ZINC000436226872 429189234 /nfs/dbraw/zinc/18/92/34/429189234.db2.gz KBZPZBVLDQJWBH-HNNXBMFYSA-N 2 0 319.424 2.634 20 0 DFADRP C(C1CCC2(CC1)OCCO2)[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000190243036 275389710 /nfs/dbraw/zinc/38/97/10/275389710.db2.gz NUIBAFCCFOVMMS-GOSISDBHSA-N 2 0 322.493 2.870 20 0 DFADRP C[C@H](CC[NH+](C)C)[NH2+]C[C@]1(C)CCN(C(=O)OC(C)(C)C)C1 ZINC000495459179 429210829 /nfs/dbraw/zinc/21/08/29/429210829.db2.gz PULQVCPCEYPYNT-PBHICJAKSA-N 2 0 313.486 2.563 20 0 DFADRP Cc1cc(N2CCC([N@@H+](C)C[C@H]3CC[C@H](C)O3)CC2)nc(C)n1 ZINC000364488297 429211701 /nfs/dbraw/zinc/21/17/01/429211701.db2.gz AXZVNYYOSPULBV-WMLDXEAASA-N 2 0 318.465 2.562 20 0 DFADRP COCCOc1ccc([C@H](C)[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000364438451 429204198 /nfs/dbraw/zinc/20/41/98/429204198.db2.gz AUUXEBZXAQJIMY-JQHSSLGASA-N 2 0 318.461 2.989 20 0 DFADRP c1ccc(C[N@@H+]2CCC3(C2)CC[NH+](Cc2cncnc2)CC3)cc1 ZINC000364441854 429204727 /nfs/dbraw/zinc/20/47/27/429204727.db2.gz PDLODYQBURLUGR-UHFFFAOYSA-N 2 0 322.456 2.965 20 0 DFADRP C[C@@H]1C[C@H](C[NH3+])C[N@@H+]1CCc1nc(-c2cccc(Cl)c2)no1 ZINC000442767333 429235474 /nfs/dbraw/zinc/23/54/74/429235474.db2.gz YJTNDEOVZWVLPP-VXGBXAGGSA-N 2 0 320.824 2.602 20 0 DFADRP O[C@H]1CCC[C@H]1[NH+]1CCC([NH2+]C2CCC(C(F)F)CC2)CC1 ZINC000442825744 429236402 /nfs/dbraw/zinc/23/64/02/429236402.db2.gz LWVYKHWLSROOLE-GMEATFMZSA-N 2 0 316.436 2.778 20 0 DFADRP CCOC(=O)N1CCC([C@H](C)[NH2+]CCC[NH+](CC)CC)CC1 ZINC000495658401 429241043 /nfs/dbraw/zinc/24/10/43/429241043.db2.gz OJGUMJMITLDNRL-HNNXBMFYSA-N 2 0 313.486 2.565 20 0 DFADRP CS[C@@H]1CC[C@H]1[NH2+]Cc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC000425331098 429267593 /nfs/dbraw/zinc/26/75/93/429267593.db2.gz AJIVLXXRWBAZCW-QZTJIDSGSA-N 2 0 320.502 2.627 20 0 DFADRP CC(C)C[C@H](C[NH+]1CCN([C@H]2CC[NH2+]C2)CC1)c1ccccc1 ZINC000489991508 429272915 /nfs/dbraw/zinc/27/29/15/429272915.db2.gz UGVJYMNIBSVVBU-UXHICEINSA-N 2 0 315.505 2.796 20 0 DFADRP CS[C@@H]1CC[C@@H]1[NH2+]CCc1ccc(OCC[NH+](C)C)cc1 ZINC000425361595 429278359 /nfs/dbraw/zinc/27/83/59/429278359.db2.gz UJMUIYJIRVGGHS-DLBZAZTESA-N 2 0 308.491 2.653 20 0 DFADRP C[C@@H]1C[N@H+](CCC2CCCCC2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000491024687 429320201 /nfs/dbraw/zinc/32/02/01/429320201.db2.gz XWHQBXGAHFWTSQ-MJGOQNOKSA-N 2 0 307.526 2.915 20 0 DFADRP CC(=O)NCCC[NH2+]C1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC000449070684 429323040 /nfs/dbraw/zinc/32/30/40/429323040.db2.gz LGJWUIUEHKOIMN-UHFFFAOYSA-N 2 0 311.514 2.781 20 0 DFADRP CCN1CC[NH+](CCCC[NH2+]Cc2ccc(C)cc2OC)CC1 ZINC000449077099 429326039 /nfs/dbraw/zinc/32/60/39/429326039.db2.gz IVGLETVMUIJPCW-UHFFFAOYSA-N 2 0 319.493 2.511 20 0 DFADRP CC[N@H+](C)Cc1cccc(CNC(=O)[C@@H](CC(C)(C)C)[NH2+]C)c1 ZINC000449100722 429331811 /nfs/dbraw/zinc/33/18/11/429331811.db2.gz SGZRDSJMXDPFKF-QGZVFWFLSA-N 2 0 319.493 2.779 20 0 DFADRP CCn1nccc1C1CC[NH+](CC[C@H]2CCCC[N@@H+]2C)CC1 ZINC000365519014 429333307 /nfs/dbraw/zinc/33/33/07/429333307.db2.gz XKGKXDGZCOXVIE-QGZVFWFLSA-N 2 0 304.482 2.957 20 0 DFADRP CC1(C)CC[C@@H]([NH2+]CCCN2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000449109198 429334713 /nfs/dbraw/zinc/33/47/13/429334713.db2.gz VQYWLLDSMXSIEV-QGZVFWFLSA-N 2 0 316.493 2.762 20 0 DFADRP COCCN1CCC[C@@H]1C[NH2+]C[C@H](C)c1cc(F)cc(F)c1 ZINC000449119181 429337209 /nfs/dbraw/zinc/33/72/09/429337209.db2.gz WVSUQTSMYXNRFF-SUMWQHHRSA-N 2 0 312.404 2.769 20 0 DFADRP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+][C@@H]2CCCOC2)CC1 ZINC000449121465 429338088 /nfs/dbraw/zinc/33/80/88/429338088.db2.gz HURDSTYXXVIMNB-VQIMIIECSA-N 2 0 302.462 2.851 20 0 DFADRP CCC[NH2+][C@H](C)C(=O)NC[C@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000449134205 429339576 /nfs/dbraw/zinc/33/95/76/429339576.db2.gz HNEYPLULCVCSIP-IIAWOOMASA-N 2 0 323.506 2.635 20 0 DFADRP C[C@@H](Cc1ccccc1)[NH+]1CCC([NH2+]CC2(O)CCC2)CC1 ZINC000449147875 429344004 /nfs/dbraw/zinc/34/40/04/429344004.db2.gz IILUYBDENMJRPM-INIZCTEOSA-N 2 0 302.462 2.587 20 0 DFADRP CO[C@H](C[NH+]1CCC(CC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1)C1CC1 ZINC000425427833 429293629 /nfs/dbraw/zinc/29/36/29/429293629.db2.gz VJISGACIGXXIFL-GPMSIDNRSA-N 2 0 324.509 2.623 20 0 DFADRP Cc1cc[nH+]c(NC[C@H]2CC[N@H+](CCOCC(F)(F)F)C2)c1 ZINC000365310420 429299100 /nfs/dbraw/zinc/29/91/00/429299100.db2.gz GAPQJKWVWGBSMM-CYBMUJFWSA-N 2 0 317.355 2.703 20 0 DFADRP C[C@H](CC(=O)Nc1cccc(C(F)(F)F)c1)[NH2+]CC(C)(C)[NH3+] ZINC000517891749 429403537 /nfs/dbraw/zinc/40/35/37/429403537.db2.gz SKPYKSZPUNPSST-SNVBAGLBSA-N 2 0 317.355 2.749 20 0 DFADRP CC(C)[C@H]1C[C@@H](C[NH2+]Cc2cc(C3CC[NH2+]CC3)no2)CCO1 ZINC000425892861 429348778 /nfs/dbraw/zinc/34/87/78/429348778.db2.gz AVJDHKALXLPKKY-KBXCAEBGSA-N 2 0 321.465 2.682 20 0 DFADRP CC(C)(C)[C@@H]1C[C@H]([NH2+]Cc2cc(C3CC[NH2+]CC3)no2)CCO1 ZINC000425894417 429349524 /nfs/dbraw/zinc/34/95/24/429349524.db2.gz GMWUIGZXWZKVIL-PBHICJAKSA-N 2 0 321.465 2.825 20 0 DFADRP Cc1ccccc1OCC[NH2+]Cc1cc(C2CC[NH2+]CC2)no1 ZINC000425904713 429350933 /nfs/dbraw/zinc/35/09/33/429350933.db2.gz ZVIPTNLSDSEIMQ-UHFFFAOYSA-N 2 0 315.417 2.619 20 0 DFADRP OCC[C@@H]([NH2+]Cc1cc(C2CC[NH2+]CC2)no1)C1CCCCC1 ZINC000425897496 429351472 /nfs/dbraw/zinc/35/14/72/429351472.db2.gz UQCZCNQKLSBJLI-QGZVFWFLSA-N 2 0 321.465 2.563 20 0 DFADRP FC(F)(F)C1(C[NH2+]Cc2cc(C3CC[NH2+]CC3)no2)CCC1 ZINC000425895942 429351531 /nfs/dbraw/zinc/35/15/31/429351531.db2.gz MCLVVSOSADRGCQ-UHFFFAOYSA-N 2 0 317.355 2.964 20 0 DFADRP C[C@H]1[C@@H](CO)CC[N@@H+]1CC(C)(C)C[NH+](C)Cc1ccccc1 ZINC000425977482 429356118 /nfs/dbraw/zinc/35/61/18/429356118.db2.gz VITZGDRHLBVUHJ-FUHWJXTLSA-N 2 0 304.478 2.847 20 0 DFADRP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+][C@@H]2CCO[C@H]2C)CC1 ZINC000449214899 429360288 /nfs/dbraw/zinc/36/02/88/429360288.db2.gz MPQPMENCLDXKDK-JTDSTZFVSA-N 2 0 302.462 2.849 20 0 DFADRP Cn1cc(C[NH2+]CCC[NH+]2CCCC2)c(-c2ccc(F)cc2)n1 ZINC000449218323 429360370 /nfs/dbraw/zinc/36/03/70/429360370.db2.gz HHRCCKGVEAMVKH-UHFFFAOYSA-N 2 0 316.424 2.802 20 0 DFADRP CC[C@H]([NH2+]Cc1ccc(C(=O)NCC[NH+](C)C)cc1)C1CCC1 ZINC000449223117 429361649 /nfs/dbraw/zinc/36/16/49/429361649.db2.gz JGGNNRQMJKTAEB-SFHVURJKSA-N 2 0 317.477 2.646 20 0 DFADRP c1csc(-c2n[nH]cc2C[NH2+][C@@H]2C[C@H]2C2CC[NH2+]CC2)c1 ZINC000514588175 429363643 /nfs/dbraw/zinc/36/36/43/429363643.db2.gz WAWJEYSPEZOURO-UONOGXRCSA-N 2 0 302.447 2.616 20 0 DFADRP C[N@@H+](Cc1ccncc1F)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000449242003 429365081 /nfs/dbraw/zinc/36/50/81/429365081.db2.gz VRTOCMIJOYWMBG-UHFFFAOYSA-N 2 0 314.408 2.964 20 0 DFADRP CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)C1(C[NH+](C)C)CCCCC1 ZINC000426708268 429410108 /nfs/dbraw/zinc/41/01/08/429410108.db2.gz IFIJASAESZVKON-IRXDYDNUSA-N 2 0 321.509 2.584 20 0 DFADRP C=Cn1cc(C[NH+]2CCC3(C[C@H]3C[N@@H+](C)C3CC3)CC2)cn1 ZINC000365795441 429373943 /nfs/dbraw/zinc/37/39/43/429373943.db2.gz NLYPSRGWKLFQDG-INIZCTEOSA-N 2 0 300.450 2.680 20 0 DFADRP C[C@@H](C[NH2+]Cc1ccc(OC[C@H]2CCCO2)cc1)C[NH+](C)C ZINC000491591753 429376466 /nfs/dbraw/zinc/37/64/66/429376466.db2.gz OABLCYSNWJBRTQ-MAUKXSAKSA-N 2 0 306.450 2.532 20 0 DFADRP CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)[C@H]2CCC[NH+]2C2CC2)C1 ZINC000426294275 429381163 /nfs/dbraw/zinc/38/11/63/429381163.db2.gz SWUSWCOQIYRRKQ-DOTOQJQBSA-N 2 0 321.509 2.630 20 0 DFADRP C[C@@H]1NC(=O)CC[C@H]1[NH2+]C1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC000449300742 429381686 /nfs/dbraw/zinc/38/16/86/429381686.db2.gz FKLBNTYXGBYRCN-GOEBONIOSA-N 2 0 323.525 2.922 20 0 DFADRP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+]CCC2(O)CCC2)CC1 ZINC000449310314 429383951 /nfs/dbraw/zinc/38/39/51/429383951.db2.gz GKBKBZBWIDXVAV-QGZVFWFLSA-N 2 0 316.489 2.977 20 0 DFADRP [NH3+][C@@H]1CCCC[C@H]1CC(=O)N1CC[NH+](CC2CCCCC2)CC1 ZINC000449319923 429386052 /nfs/dbraw/zinc/38/60/52/429386052.db2.gz HIZICZVIPSKLID-ZWKOTPCHSA-N 2 0 321.509 2.619 20 0 DFADRP Cc1ccc([C@H](CNC(=O)C[C@H]2CCCC[C@@H]2[NH3+])[NH+](C)C)cc1 ZINC000449331265 429389175 /nfs/dbraw/zinc/38/91/75/429389175.db2.gz XWAOUGHCBREUGE-SQNIBIBYSA-N 2 0 317.477 2.622 20 0 DFADRP C[C@@H]1C[NH2+]C[C@H]1C(=O)Nc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000449334313 429390328 /nfs/dbraw/zinc/39/03/28/429390328.db2.gz DYGJEKASVWIHKG-CRAIPNDOSA-N 2 0 315.461 2.857 20 0 DFADRP C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)C[C@@H]1CCC[NH2+]CC1 ZINC000427297195 429443174 /nfs/dbraw/zinc/44/31/74/429443174.db2.gz YLVMAHUOWJYXSL-IAGOWNOFSA-N 2 0 309.498 2.537 20 0 DFADRP C[N@@H+]1CCC[C@@H](CC[NH2+][C@H](c2nnc[nH]2)C2CCCCC2)C1 ZINC000519110500 429448886 /nfs/dbraw/zinc/44/88/86/429448886.db2.gz AGVKMLNWJKMJGI-HOCLYGCPSA-N 2 0 305.470 2.748 20 0 DFADRP CCc1cccc(C[NH2+]C[C@@H](C)CN2CC[NH+](CC)CC2)c1 ZINC000519410420 429458521 /nfs/dbraw/zinc/45/85/21/429458521.db2.gz NYUKOWIKNBATAG-QGZVFWFLSA-N 2 0 303.494 2.612 20 0 DFADRP Cc1ccc(C[N@@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)c(-c2cnn(C)c2)c1 ZINC000427122278 429433091 /nfs/dbraw/zinc/43/30/91/429433091.db2.gz PTDCDCURCPZNSW-QFBILLFUSA-N 2 0 310.445 2.579 20 0 DFADRP Cc1ccc(C[N@@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)c(-c2cnn(C)c2)c1 ZINC000427122277 429433655 /nfs/dbraw/zinc/43/36/55/429433655.db2.gz PTDCDCURCPZNSW-LPHOPBHVSA-N 2 0 310.445 2.579 20 0 DFADRP C[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+][C@@H]2CCn3ccnc3C2)CC1 ZINC000427873366 429475974 /nfs/dbraw/zinc/47/59/74/429475974.db2.gz KVVWIVGNZGQTKK-KBAYOESNSA-N 2 0 316.493 2.831 20 0 DFADRP CC(C)(C)OC(=O)NCCC[NH2+]C1CC([NH+]2CCCCC2)C1 ZINC000492150341 429477468 /nfs/dbraw/zinc/47/74/68/429477468.db2.gz NXLCDVIZZCRBBO-UHFFFAOYSA-N 2 0 311.470 2.508 20 0 DFADRP CC[N@H+](CCC1CC[NH+](C[C@H](O)CSC)CC1)CC1CC1 ZINC000492192885 429485021 /nfs/dbraw/zinc/48/50/21/429485021.db2.gz KORCFFLHQHGQRQ-KRWDZBQOSA-N 2 0 314.539 2.544 20 0 DFADRP O[C@H](C[NH2+][C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21)C1CCC1 ZINC000449738996 429492651 /nfs/dbraw/zinc/49/26/51/429492651.db2.gz HSLPLJHOUAHXJJ-VNTMZGSJSA-N 2 0 314.473 2.648 20 0 DFADRP O[C@H](C[NH2+][C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21)C1CCC1 ZINC000449738994 429493539 /nfs/dbraw/zinc/49/35/39/429493539.db2.gz HSLPLJHOUAHXJJ-MTQWCTHYSA-N 2 0 314.473 2.648 20 0 DFADRP CC[NH+]1CCN(CC(C)(C)[NH2+]C[C@@H]2C[C@H]2c2ccccc2)CC1 ZINC000449744973 429495010 /nfs/dbraw/zinc/49/50/10/429495010.db2.gz KKTVSRHMZNVANZ-OALUTQOASA-N 2 0 315.505 2.796 20 0 DFADRP COC[C@H]1CCCC[N@@H+]1Cc1cn(-c2cc[nH+]cc2)nc1C ZINC000449761571 429499610 /nfs/dbraw/zinc/49/96/10/429499610.db2.gz YVZVDICAGNCEHU-QGZVFWFLSA-N 2 0 300.406 2.577 20 0 DFADRP Cc1cnc([C@H](C)[N@@H+]2CC[C@@H](CNc3cccc(C)[nH+]3)C2)cn1 ZINC000428237631 429504247 /nfs/dbraw/zinc/50/42/47/429504247.db2.gz BJMBLXFJECBTKH-HOTGVXAUSA-N 2 0 311.433 2.983 20 0 DFADRP CCC1(CNC(=[NH2+])N(C)C)CC[NH+](Cc2ccccc2)CC1 ZINC000366782073 429511997 /nfs/dbraw/zinc/51/19/97/429511997.db2.gz VEKXXKGKPSIHJL-UHFFFAOYSA-N 2 0 302.466 2.765 20 0 DFADRP C[C@@H]1C[N@H+](CCC[NH2+]C[C@H]2CCOc3ccccc32)CCCO1 ZINC000366777108 429512176 /nfs/dbraw/zinc/51/21/76/429512176.db2.gz ODBDXLPKGMKUFM-IAGOWNOFSA-N 2 0 318.461 2.643 20 0 DFADRP CC[NH+](CC)C[C@@H](C)NC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC000449828469 429519929 /nfs/dbraw/zinc/51/99/29/429519929.db2.gz XEPQMDBIGLKZEK-NVXWUHKLSA-N 2 0 309.498 2.630 20 0 DFADRP CSC[C@H](O)C[NH2+]Cc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000521426681 429551113 /nfs/dbraw/zinc/55/11/13/429551113.db2.gz LOAJKHNFHMGSDN-GOSISDBHSA-N 2 0 322.518 2.876 20 0 DFADRP C[C@@H](CN[C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1)C[NH+](C)C ZINC000521624738 429559138 /nfs/dbraw/zinc/55/91/38/429559138.db2.gz IVZOEVWHIRPRMS-HKUYNNGSSA-N 2 0 315.505 2.971 20 0 DFADRP C[NH+](C)CCOc1cccc(C[NH2+][C@H]2CCC23CCOCC3)c1 ZINC000367050088 429566502 /nfs/dbraw/zinc/56/65/02/429566502.db2.gz LWYQYKATBFIMJR-SFHVURJKSA-N 2 0 318.461 2.676 20 0 DFADRP Cc1ccc(-c2nnc(CN3CC[C@@]4(CC[N@@H+](C)C4)C3)o2)cc1 ZINC000429021781 429573557 /nfs/dbraw/zinc/57/35/57/429573557.db2.gz QGVHTKVWCPFYBU-GOSISDBHSA-N 2 0 312.417 2.573 20 0 DFADRP Cc1nccn1C[C@@H]1CCC[N@@H+]1Cc1ccc2c(c1)C[NH2+]CC2 ZINC000522007206 429576439 /nfs/dbraw/zinc/57/64/39/429576439.db2.gz CUAHIDAISHKUKF-IBGZPJMESA-N 3 0 310.445 2.502 20 0 DFADRP CC[N@H+](C)[C@H](C(=O)NCC[C@@H]1CCC[NH+](C)C1)c1ccccc1 ZINC000458160450 429589859 /nfs/dbraw/zinc/58/98/59/429589859.db2.gz GBELNRQOJJRCSN-WMZOPIPTSA-N 2 0 317.477 2.528 20 0 DFADRP Cc1cccc(C[N@@H+](C)[C@H]2CCN(C3CC[NH+](C)CC3)C2)c1 ZINC000367117424 429581491 /nfs/dbraw/zinc/58/14/91/429581491.db2.gz OXTBIZZWSVBDKK-IBGZPJMESA-N 2 0 301.478 2.595 20 0 DFADRP C[N@@H+]1CCCC[C@@H]1CN1CC[NH+](CC23CCC(CC2)C3)CC1 ZINC000450386770 429614840 /nfs/dbraw/zinc/61/48/40/429614840.db2.gz GBVBZRGCPMERCC-JLAWEPINSA-N 2 0 305.510 2.669 20 0 DFADRP C[N@@H+]1CCCC[C@H]1CN1CC[NH+](C[C@H]2CCC(F)(F)C2)CC1 ZINC000450392683 429616976 /nfs/dbraw/zinc/61/69/76/429616976.db2.gz OVVXJVQHGYSPAU-HOTGVXAUSA-N 2 0 315.452 2.524 20 0 DFADRP C[NH+](C)CCOC1CC[NH+](CCc2ccc(Cl)cc2)CC1 ZINC000450405072 429618296 /nfs/dbraw/zinc/61/82/96/429618296.db2.gz ONQFOIHCNBOKNK-UHFFFAOYSA-N 2 0 310.869 2.925 20 0 DFADRP CCCC[C@@H]1CCC[C@H]1[NH2+]CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000492819226 429622941 /nfs/dbraw/zinc/62/29/41/429622941.db2.gz RFMIKZOVRPLEGB-CRAIPNDOSA-N 2 0 321.509 2.678 20 0 DFADRP CN(CC[NH+]1CCC(C[NH+]2CCCC2)CC1)Cc1ccccc1 ZINC000429719255 429628088 /nfs/dbraw/zinc/62/80/88/429628088.db2.gz UFPLOJDJZQLYNF-UHFFFAOYSA-N 2 0 315.505 2.926 20 0 DFADRP CC(C)[N@@H+]1CCCC[C@@H]1CN1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000450452244 429629205 /nfs/dbraw/zinc/62/92/05/429629205.db2.gz LUOHURXNEWLCRF-RBUKOAKNSA-N 2 0 307.526 2.913 20 0 DFADRP CO[C@@H](Cc1ccccc1)C[N@@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000450456404 429631746 /nfs/dbraw/zinc/63/17/46/429631746.db2.gz SRKAJSGGDRGTBA-PMACEKPBSA-N 2 0 316.489 2.908 20 0 DFADRP CCc1ccc2[nH+]ccc(N3CCC[N@@H+]([C@H](C)CO)CC3)c2c1 ZINC000450476782 429635855 /nfs/dbraw/zinc/63/58/55/429635855.db2.gz ROUVGOIISLBKCJ-OAHLLOKOSA-N 2 0 313.445 2.690 20 0 DFADRP CC1CCC([NH+]2CCC(NC(=O)[C@@H]3CCC[NH2+][C@@H]3C)CC2)CC1 ZINC000367403898 429642256 /nfs/dbraw/zinc/64/22/56/429642256.db2.gz ZGSMWFPTZPNVFJ-XPJGSDBHSA-N 2 0 321.509 2.534 20 0 DFADRP C[C@@H]1C[C@@H](C[NH2+][C@@H]2CC[N@H+](C[C@@H]3CCCO3)C[C@H]2C)C[C@H](C)O1 ZINC000367183377 429593094 /nfs/dbraw/zinc/59/30/94/429593094.db2.gz CHIQXZXLTDAEIB-ZBLLQYKHSA-N 2 0 324.509 2.669 20 0 DFADRP Cc1[nH+]c2ccccc2c(NC[C@@H]2CCC[N@@H+]2CCCO)c1C ZINC000450596604 429655796 /nfs/dbraw/zinc/65/57/96/429655796.db2.gz NMHCWIPTOIVALW-INIZCTEOSA-N 2 0 313.445 2.532 20 0 DFADRP CC(C)[C@H](Cc1ccc(F)cc1)[NH2+]C[C@H](O)C[NH+]1CCCCC1 ZINC000151298105 276019051 /nfs/dbraw/zinc/01/90/51/276019051.db2.gz ASWJDCVXSMCOPN-OALUTQOASA-N 2 0 322.468 2.829 20 0 DFADRP CC(C)[C@H](CO)[NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]12 ZINC000356872855 276019134 /nfs/dbraw/zinc/01/91/34/276019134.db2.gz PNAPAPPLOAJKHT-MKXGPGLRSA-N 2 0 302.462 2.504 20 0 DFADRP CCc1cc(CCC[N@@H+]2CC[C@H](C)[C@@H](n3ccnc3)C2)on1 ZINC000450586187 429653502 /nfs/dbraw/zinc/65/35/02/429653502.db2.gz BJGVUVZRIUZSAT-YOEHRIQHSA-N 2 0 302.422 2.949 20 0 DFADRP Cc1cccc(-c2noc(CN3CCC[C@@H]([C@@H](C)[NH3+])C3)n2)c1 ZINC000430545199 429689209 /nfs/dbraw/zinc/68/92/09/429689209.db2.gz HMLOOOVEJIFINV-UKRRQHHQSA-N 2 0 300.406 2.604 20 0 DFADRP CCc1ccc(NC(=O)[C@H](C)N2CCC[C@@H]([C@H](C)[NH3+])C2)cc1 ZINC000430548536 429689342 /nfs/dbraw/zinc/68/93/42/429689342.db2.gz LXNIUOYXSPJLCZ-OFQRWUPVSA-N 2 0 303.450 2.635 20 0 DFADRP CC[N@@H+]1CC[C@H]([NH2+]CCc2cc(F)cc3c2OCOC3)[C@H](C)C1 ZINC000120682010 276228982 /nfs/dbraw/zinc/22/89/82/276228982.db2.gz OOBVYWZZHLLPNP-DYVFJYSZSA-N 2 0 322.424 2.555 20 0 DFADRP CCCC[N@H+](C)C[C@@H](C)NC(=O)[C@@H](C)[NH+](C)Cc1ccccc1 ZINC000356596778 276230843 /nfs/dbraw/zinc/23/08/43/276230843.db2.gz LFBWEUQHRUXRFB-IAGOWNOFSA-N 2 0 319.493 2.744 20 0 DFADRP Cc1cc(C)n(-c2ccc(C[NH2+][C@@](C)(C[NH3+])C(C)C)cc2)n1 ZINC000430554395 429690144 /nfs/dbraw/zinc/69/01/44/429690144.db2.gz MXDHBSZXQZGUAR-SFHVURJKSA-N 2 0 300.450 2.952 20 0 DFADRP COc1cccc(O[C@H](C)C[NH2+][C@@H]2CC[N@H+](C)[C@@H]3CCC[C@@H]32)c1 ZINC000367606543 429685438 /nfs/dbraw/zinc/68/54/38/429685438.db2.gz KATHSVPRGHYXMV-UTRMSSBJSA-N 2 0 318.461 2.925 20 0 DFADRP C[NH+](C)Cc1cccc(C[NH2+][C@@H]2CC[N@H+](C)[C@@H]3CCC[C@H]32)c1 ZINC000367623257 429687572 /nfs/dbraw/zinc/68/75/72/429687572.db2.gz VJILDOXWKVEMTE-IPMKNSEASA-N 3 0 301.478 2.711 20 0 DFADRP CC[N@H+](C)[C@@H](C(=O)NC[C@H](C)C[NH+]1CCCC1)c1ccccc1 ZINC000264027639 276308712 /nfs/dbraw/zinc/30/87/12/276308712.db2.gz LSHCNVCMXIFJGM-FUHWJXTLSA-N 2 0 317.477 2.528 20 0 DFADRP CC[NH+](CC)CCO[C@H]1CC[N@H+](Cc2ccc(OC)cc2)C1 ZINC000354105438 276328087 /nfs/dbraw/zinc/32/80/87/276328087.db2.gz AXACNAHBFQLUQG-SFHVURJKSA-N 2 0 306.450 2.628 20 0 DFADRP CC[NH+](CC)Cc1ccc(C[NH2+][C@H]2CC[N@H+](C)C[C@@H]2C)cc1 ZINC000163564481 276334988 /nfs/dbraw/zinc/33/49/88/276334988.db2.gz UFQPCZVQBIQAPQ-LPHOPBHVSA-N 3 0 303.494 2.958 20 0 DFADRP CC[NH+](CC)Cc1cccc(C[NH2+][C@H](C)C(=O)NCC(C)C)c1 ZINC000079307437 276335055 /nfs/dbraw/zinc/33/50/55/276335055.db2.gz HMLNRWQKMWFXGF-MRXNPFEDSA-N 2 0 319.493 2.779 20 0 DFADRP CC[NH2+]CC1CC[NH+]([C@H](C)C(=O)N[C@@H](C)c2ccccc2)CC1 ZINC000430587569 429695785 /nfs/dbraw/zinc/69/57/85/429695785.db2.gz WJFVGHFDNVCWFB-JKSUJKDBSA-N 2 0 317.477 2.574 20 0 DFADRP CCO[C@H]1COCC[C@H]1[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000354971428 276360963 /nfs/dbraw/zinc/36/09/63/276360963.db2.gz TYYXSHCYWAWCOW-MSOLQXFVSA-N 2 0 310.482 2.567 20 0 DFADRP CC(C)[C@@](C)(C[NH3+])[NH2+]CCOc1ccc(OC(F)(F)F)cc1 ZINC000430594743 429698235 /nfs/dbraw/zinc/69/82/35/429698235.db2.gz LKUSSRQQEPPMLG-CQSZACIVSA-N 2 0 320.355 2.927 20 0 DFADRP CC(C)[C@H](O)C[N@H+](C)[C@H]1CCN(Cc2ccccc2)C[C@@H]1C ZINC000367930580 429745684 /nfs/dbraw/zinc/74/56/84/429745684.db2.gz JDKBPJCEVOBHIK-YTQUADARSA-N 2 0 304.478 2.846 20 0 DFADRP CC[NH+]1CCN([C@@H]2CC[N@@H+]([C@@H](C)c3ccccc3C)C2)CC1 ZINC000130562419 276386746 /nfs/dbraw/zinc/38/67/46/276386746.db2.gz CKPFLCOXEFJQJV-ZWKOTPCHSA-N 2 0 301.478 2.768 20 0 DFADRP c1ccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@H]([NH2+]C[C@@H]2[C@H]4COC[C@H]42)C3)cc1 ZINC000367691134 429701422 /nfs/dbraw/zinc/70/14/22/429701422.db2.gz SYVBGTHGIBCEED-PIUSSYSBSA-N 2 0 312.457 2.664 20 0 DFADRP C[NH2+]C[C@H]1CCC[N@H+](CCC(=O)Nc2ccc(Cl)cc2)C1 ZINC000430629362 429703862 /nfs/dbraw/zinc/70/38/62/429703862.db2.gz PZARQDRLPORLCQ-CYBMUJFWSA-N 2 0 309.841 2.600 20 0 DFADRP C[C@@H](C(=O)Nc1cccc2ccccc21)[NH+]1CCC(C[NH3+])CC1 ZINC000430621095 429703891 /nfs/dbraw/zinc/70/38/91/429703891.db2.gz CZORYVOXZQGOKL-AWEZNQCLSA-N 2 0 311.429 2.838 20 0 DFADRP C[N@H+]1C[C@@H]2C[NH+](CCn3ccc4cc(Cl)ccc43)C[C@@H]2C1 ZINC000367716157 429705684 /nfs/dbraw/zinc/70/56/84/429705684.db2.gz ACYPPCZCCCOLNW-GASCZTMLSA-N 2 0 303.837 2.788 20 0 DFADRP C[C@@H]1CCCN(c2cc(NC3C[C@H]4CC[C@@H](C3)[N@H+]4C)ncn2)C1 ZINC000450821973 429706775 /nfs/dbraw/zinc/70/67/75/429706775.db2.gz AQKNXDIUWJOWKT-WZYMTQMTSA-N 2 0 315.465 2.750 20 0 DFADRP C[C@H]([NH2+]C1(CNC(=O)C(C)(C)C[NH3+])CCCC1)c1ccccc1 ZINC000430701755 429710462 /nfs/dbraw/zinc/71/04/62/429710462.db2.gz WMERSQKFNBEHLQ-HNNXBMFYSA-N 2 0 317.477 2.751 20 0 DFADRP [NH3+][C@@H]1CCCCCC[C@@H]1C(=O)N[C@H]1CC[N@H+](CC2CCCC2)C1 ZINC000430780771 429715715 /nfs/dbraw/zinc/71/57/15/429715715.db2.gz OSKVMNBUCYTFKT-OKZBNKHCSA-N 2 0 321.509 2.665 20 0 DFADRP C[NH+](C)[C@H](CNC(=O)[C@@H]1CCCCCC[C@H]1[NH3+])c1ccccc1 ZINC000430856129 429719780 /nfs/dbraw/zinc/71/97/80/429719780.db2.gz YWJGZPXPOBQQDP-KZNAEPCWSA-N 2 0 317.477 2.703 20 0 DFADRP CC(C)[N@@H+]1CCCN(Cc2cncn2Cc2ccccc2)CC1 ZINC000527075323 429721379 /nfs/dbraw/zinc/72/13/79/429721379.db2.gz FXXKPVFLBPQNIO-UHFFFAOYSA-N 2 0 312.461 2.848 20 0 DFADRP [NH3+]C[C@@H]1CC[N@H+](CCC(=O)Nc2ccccc2-c2ccccc2)C1 ZINC000430930655 429724887 /nfs/dbraw/zinc/72/48/87/429724887.db2.gz XYIYEAZBVRXNHN-INIZCTEOSA-N 2 0 323.440 2.963 20 0 DFADRP Cc1ccc(F)cc1NC(=O)[C@@H](C)[NH+]1CCC([C@H](C)[NH3+])CC1 ZINC000430937060 429726286 /nfs/dbraw/zinc/72/62/86/429726286.db2.gz YVORIZQAJODVEZ-QWHCGFSZSA-N 2 0 307.413 2.520 20 0 DFADRP Cc1ccc(NC(=O)[C@H](C)[NH+]2CCC([C@H](C)[NH3+])CC2)cc1F ZINC000430938094 429726531 /nfs/dbraw/zinc/72/65/31/429726531.db2.gz ADDUEDZUNMOIKE-STQMWFEESA-N 2 0 307.413 2.520 20 0 DFADRP CC(C)CC[C@H](O)C[N@@H+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000482844705 429727530 /nfs/dbraw/zinc/72/75/30/429727530.db2.gz PSNRNRVCTXVKGB-ZCNNSNEGSA-N 2 0 316.489 2.847 20 0 DFADRP CSc1cccc(NC(=O)[C@H](C)[NH+]2CCC([C@H](C)[NH3+])CC2)c1 ZINC000430948358 429727663 /nfs/dbraw/zinc/72/76/63/429727663.db2.gz IPYRHNCISYKZRP-STQMWFEESA-N 2 0 321.490 2.795 20 0 DFADRP CSc1ccccc1NC(=O)CC[N@@H+]1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000430959973 429729542 /nfs/dbraw/zinc/72/95/42/429729542.db2.gz FYZVVUDNSNHNMO-UONOGXRCSA-N 2 0 321.490 2.796 20 0 DFADRP C[C@H]1C[N@H+](CCc2nc(-c3ccc(Cl)cc3)no2)CC[C@H]1[NH3+] ZINC000430970876 429732041 /nfs/dbraw/zinc/73/20/41/429732041.db2.gz IWZLTKGQDCXNGX-SMDDNHRTSA-N 2 0 320.824 2.602 20 0 DFADRP C[C@H]1C[C@@H](c2ccccc2)C[N@@H+]1Cc1nc(C(C)(C)[NH3+])no1 ZINC000431077051 429739097 /nfs/dbraw/zinc/73/90/97/429739097.db2.gz AUIVBYXHLMDTQC-GXTWGEPZSA-N 2 0 300.406 2.641 20 0 DFADRP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@@H+]2CCCc1cccc(F)c1 ZINC000367915244 429741597 /nfs/dbraw/zinc/74/15/97/429741597.db2.gz CIJRFNKIMULUNZ-QYZOEREBSA-N 2 0 320.452 2.942 20 0 DFADRP C[C@H]([NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1)[C@@H]1OCCc2sccc21 ZINC000368144925 429798007 /nfs/dbraw/zinc/79/80/07/429798007.db2.gz XLBKOGRKWVBBJQ-LOUJCGABSA-N 2 0 306.475 2.967 20 0 DFADRP C[NH+]1CCC(CC(=O)N2CCC[C@@H]2C[NH+]2CCCCCC2)CC1 ZINC000368159330 429800717 /nfs/dbraw/zinc/80/07/17/429800717.db2.gz FIYCBSLQLAXVCS-GOSISDBHSA-N 2 0 321.509 2.585 20 0 DFADRP CCCCC[C@@H]1CCC[N@@H+]1CC(=O)NC1CC[NH+](CC)CC1 ZINC000486813698 429751720 /nfs/dbraw/zinc/75/17/20/429751720.db2.gz VQTITDYGNYODGO-QGZVFWFLSA-N 2 0 309.498 2.632 20 0 DFADRP Cn1cccc1C[N@@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000367958641 429752091 /nfs/dbraw/zinc/75/20/91/429752091.db2.gz FBVVSOLMXAXDBJ-OALUTQOASA-N 2 0 309.457 2.979 20 0 DFADRP Cc1ccc(C[NH+](C)C)cc1NC(=O)[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000367975316 429758111 /nfs/dbraw/zinc/75/81/11/429758111.db2.gz WWRQZOXRLVEWCI-DLBZAZTESA-N 2 0 315.461 2.631 20 0 DFADRP C[C@@H]1CN(CC[N@H+](C)Cc2ccc(F)cc2)CC[NH+](C2CC2)C1 ZINC000451095586 429768614 /nfs/dbraw/zinc/76/86/14/429768614.db2.gz TXTYIQNKCCHEAL-MRXNPFEDSA-N 2 0 319.468 2.674 20 0 DFADRP CC[N@H+](CCC[NH+](C)C)Cc1cccc(-c2cnn(C)c2)c1 ZINC000368052782 429775634 /nfs/dbraw/zinc/77/56/34/429775634.db2.gz YSGWKXUCHGSVND-UHFFFAOYSA-N 2 0 300.450 2.861 20 0 DFADRP C[C@H](CNC(=O)C[C@@H](c1ccccc1)[NH+](C)C)C[NH+]1CCCC1 ZINC000431724893 429778672 /nfs/dbraw/zinc/77/86/72/429778672.db2.gz XGIHTAIIPMTDGJ-AEFFLSMTSA-N 2 0 317.477 2.528 20 0 DFADRP C[C@@H]1C[N@H+](CCC[NH2+]Cc2cc3c(cccc3F)[nH]2)CCCO1 ZINC000432351378 429817777 /nfs/dbraw/zinc/81/77/77/429817777.db2.gz LYUNUEIYCHDFAF-CQSZACIVSA-N 2 0 319.424 2.898 20 0 DFADRP C[NH+]1CCN(C[C@@H]2CCC[N@@H+]([C@H]3C[C@@H]3c3ccccc3)C2)CC1 ZINC000368260274 429818233 /nfs/dbraw/zinc/81/82/33/429818233.db2.gz IXIRMPQOPYOJQR-SXLOBPIMSA-N 2 0 313.489 2.502 20 0 DFADRP C[C@@]1(C[NH2+]C2CC[NH+](CC3CC3)CC2)COc2ccccc2O1 ZINC000527932269 429823022 /nfs/dbraw/zinc/82/30/22/429823022.db2.gz LNMYPDSLIOBWBE-LJQANCHMSA-N 2 0 316.445 2.681 20 0 DFADRP COc1cccnc1N1CCC(CCCn2ccnc2)CC1 ZINC000527957884 429827695 /nfs/dbraw/zinc/82/76/95/429827695.db2.gz CMPZHRBLDBJNOT-UHFFFAOYSA-N 2 0 300.406 2.984 20 0 DFADRP c1ccc(C[N@H+]2C[C@@H]3CC[C@@H]([NH2+]CC45CC(C4)CO5)[C@H]3C2)cc1 ZINC000527982092 429831568 /nfs/dbraw/zinc/83/15/68/429831568.db2.gz QLNPWSLBZAAEJN-RWSSSABPSA-N 2 0 312.457 2.666 20 0 DFADRP CC[NH+](CC)Cc1cc([C@@H](C)[NH2+]CC2CC(O)C2)ccc1OC ZINC000528020081 429836569 /nfs/dbraw/zinc/83/65/69/429836569.db2.gz XLQBRVXQZDZITL-KSTDHSDQSA-N 2 0 320.477 2.959 20 0 DFADRP OC1CC(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]3CCC[C@H]32)C1 ZINC000528019862 429837302 /nfs/dbraw/zinc/83/73/02/429837302.db2.gz UPBGDUFBYCPOKQ-GNWGEKMJSA-N 2 0 314.473 2.790 20 0 DFADRP CC(C)[C@H](O)C[N@@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000432826502 429843095 /nfs/dbraw/zinc/84/30/95/429843095.db2.gz ZAHZLICXHPMOSM-WOJBJXKFSA-N 2 0 316.489 2.991 20 0 DFADRP Cc1ncc(C[N@@H+]2CC[C@@H](Nc3cc[nH+]c(C)c3)[C@@H](C)C2)s1 ZINC000368410508 429844512 /nfs/dbraw/zinc/84/45/12/429844512.db2.gz LLRZNCGUDBKVKF-YVEFUNNKSA-N 2 0 316.474 2.899 20 0 DFADRP CO[C@H](c1ccccc1)[C@@H](C)[NH2+]C[C@H]1CN(CC(C)C)CCO1 ZINC000493900289 429848139 /nfs/dbraw/zinc/84/81/39/429848139.db2.gz KXRNHIOPBCRKFG-NEWSRXKRSA-N 2 0 320.477 2.709 20 0 DFADRP C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@H]1[NH2+]CCCC1CCOCC1 ZINC000368492627 429858034 /nfs/dbraw/zinc/85/80/34/429858034.db2.gz CYUADWLVFJYELE-NZSAHSFTSA-N 2 0 324.509 2.672 20 0 DFADRP C[C@H]1CCCC[N@@H+]1CCCCNC(=O)C1CC[NH+](C2CC2)CC1 ZINC000494271682 429865039 /nfs/dbraw/zinc/86/50/39/429865039.db2.gz SAWPPLUMSPIYCF-INIZCTEOSA-N 2 0 321.509 2.632 20 0 DFADRP CC[C@@H](C(=O)N(C)C1CC[NH+](C2CCC(C)CC2)CC1)[NH+](C)C ZINC000368564935 429867499 /nfs/dbraw/zinc/86/74/99/429867499.db2.gz XYEYQQUHGQLWEV-VJFUWPCTSA-N 2 0 323.525 2.828 20 0 DFADRP COc1ccc([C@H]([NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)C2CC2)cn1 ZINC000527844511 429808889 /nfs/dbraw/zinc/80/88/89/429808889.db2.gz ZOXQHPUOTJCUDA-JFIYKMOQSA-N 2 0 301.434 2.758 20 0 DFADRP C[C@H]([NH2+]Cc1ccc(C[NH+]2CCC(O)CC2)cc1)[C@@H]1CC12CC2 ZINC000527859230 429811152 /nfs/dbraw/zinc/81/11/52/429811152.db2.gz OAUIBCOAPCAQPQ-KXBFYZLASA-N 2 0 314.473 2.922 20 0 DFADRP C[C@@H]([NH2+][C@@H](C)CC[NH+](C)C)c1cccc(N2CCOC2=O)c1 ZINC000493692582 429811343 /nfs/dbraw/zinc/81/13/43/429811343.db2.gz JLAOZUDTMHJTKA-UONOGXRCSA-N 2 0 305.422 2.634 20 0 DFADRP C[C@H]([NH2+][C@H](CN1CC[NH+](C)CC1)c1ccccc1)[C@H]1CC12CC2 ZINC000527860395 429811923 /nfs/dbraw/zinc/81/19/23/429811923.db2.gz VIUAHTKRURAWCL-QXAKKESOSA-N 2 0 313.489 2.753 20 0 DFADRP C[N@@H+]1CC[C@@H](C[NH2+]Cc2c[nH]c3nccnc23)[C@@H]1c1ccccc1 ZINC000368229059 429812721 /nfs/dbraw/zinc/81/27/21/429812721.db2.gz SOWNCOIQQPYMAT-YJBOKZPZSA-N 2 0 321.428 2.692 20 0 DFADRP CO[C@H](Cc1ccc(F)cc1)C[N@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000528507767 429894820 /nfs/dbraw/zinc/89/48/20/429894820.db2.gz USPNIQHDPZKGEF-ZZJWQFMZSA-N 2 0 320.452 2.940 20 0 DFADRP CO[C@@H](Cc1ccc(F)cc1)C[N@@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC000528520356 429896141 /nfs/dbraw/zinc/89/61/41/429896141.db2.gz WXSFXNVSMSXAMP-RBUKOAKNSA-N 2 0 320.452 2.801 20 0 DFADRP CC1(C[NH+]2CCOCC2)CC[NH+](CCc2ccccc2F)CC1 ZINC000368894793 429900602 /nfs/dbraw/zinc/90/06/02/429900602.db2.gz NHTIDMICMNXJPX-UHFFFAOYSA-N 2 0 320.452 2.803 20 0 DFADRP Cc1nccn1CCCC[N@@H+]1CC[C@@H](Oc2cccnc2C)C1 ZINC000368988806 429905473 /nfs/dbraw/zinc/90/54/73/429905473.db2.gz BUKYZNXPEQHHFI-QGZVFWFLSA-N 2 0 314.433 2.828 20 0 DFADRP COC(=O)C(C)(C)CC[NH2+][C@]1(C)CCN(Cc2ccccc2)C1 ZINC000573097459 429925186 /nfs/dbraw/zinc/92/51/86/429925186.db2.gz MSBJXDJFTRJPEL-LJQANCHMSA-N 2 0 318.461 2.830 20 0 DFADRP C[N@@H+]1CC[C@H]([NH2+]CCNc2ccc3ccccc3n2)CC1(C)C ZINC000623442321 429926299 /nfs/dbraw/zinc/92/62/99/429926299.db2.gz JYSCCGXLLPEBNU-INIZCTEOSA-N 2 0 312.461 3.109 20 0 DFADRP CC(C)[N@@H+](C)C[C@H](C)N[C@H]1C[C@@H](C)[NH+](Cc2ccccc2)C1 ZINC000573610547 429964722 /nfs/dbraw/zinc/96/47/22/429964722.db2.gz OJUAHVRSYWMKCF-SCTDSRPQSA-N 2 0 303.494 2.968 20 0 DFADRP C[C@@H]([NH2+]Cc1ccccc1C[N@H+](C)Cc1ccco1)[C@H](C)O ZINC000573835862 429987248 /nfs/dbraw/zinc/98/72/48/429987248.db2.gz YPDIQYFIASDNRT-CABCVRRESA-N 2 0 302.418 2.771 20 0 DFADRP CCOc1ccccc1OCC[N@@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC000639756978 429971049 /nfs/dbraw/zinc/97/10/49/429971049.db2.gz BKRDRKDDTLBEFE-UHFFFAOYSA-N 2 0 318.461 2.882 20 0 DFADRP C[NH+]1CCC2(CC[N@H+](CC(=O)Nc3cccc(Cl)c3)C2)CC1 ZINC000639760410 429971911 /nfs/dbraw/zinc/97/19/11/429971911.db2.gz XDFSJVXIWDXVKU-UHFFFAOYSA-N 2 0 321.852 2.696 20 0 DFADRP Cc1cccc(NC(=O)[C@H](C)[N@@H+]2CCC3(C2)CC[NH+](C)CC3)c1 ZINC000639760387 429973316 /nfs/dbraw/zinc/97/33/16/429973316.db2.gz WPAKBQHJZQDVGE-INIZCTEOSA-N 2 0 315.461 2.740 20 0 DFADRP C[NH+](C)C[C@@]1(O)CCCN([C@H]2CCCc3ccc(F)cc32)C1 ZINC000639766027 429973600 /nfs/dbraw/zinc/97/36/00/429973600.db2.gz LGAYSEAPYKQRIP-ROUUACIJSA-N 2 0 306.425 2.592 20 0 DFADRP C[C@H](O)[C@H](C)[NH2+]Cc1ccccc1C[N@H+](C)Cc1ccco1 ZINC000573835863 429987468 /nfs/dbraw/zinc/98/74/68/429987468.db2.gz YPDIQYFIASDNRT-GJZGRUSLSA-N 2 0 302.418 2.771 20 0 DFADRP C[C@@H]1CN(CCCc2cncn2C)C[C@H](c2ccsc2)O1 ZINC000573217005 429935885 /nfs/dbraw/zinc/93/58/85/429935885.db2.gz WJHUOQRJWWAMNR-CZUORRHYSA-N 2 0 305.447 2.876 20 0 DFADRP CC(C)[NH+]1CCN([C@@H]2CC[N@H+](Cc3ccccc3Cl)C2)CC1 ZINC000369400354 429936257 /nfs/dbraw/zinc/93/62/57/429936257.db2.gz XEDWLUWSDNCBKN-QGZVFWFLSA-N 2 0 321.896 2.940 20 0 DFADRP C[C@H]1CN(CCCc2cncn2C)C[C@@H](c2ccsc2)O1 ZINC000573217003 429937386 /nfs/dbraw/zinc/93/73/86/429937386.db2.gz WJHUOQRJWWAMNR-BBRMVZONSA-N 2 0 305.447 2.876 20 0 DFADRP O[C@H](CC1CCCC1)C[N@@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC000639684187 429947206 /nfs/dbraw/zinc/94/72/06/429947206.db2.gz SWAKTKJQVGJLOS-GOSISDBHSA-N 2 0 303.450 2.535 20 0 DFADRP Cc1ccc(OC[C@H](O)C[NH2+][C@@H]2CCC[C@@H]([NH+](C)C)C2)c(C)c1 ZINC000573437432 429950370 /nfs/dbraw/zinc/95/03/70/429950370.db2.gz AIVPBPAJXYTRKQ-KZNAEPCWSA-N 2 0 320.477 2.506 20 0 DFADRP [NH3+][C@@H]1CCC[C@H]2C[N@H+](Cc3cnc(-c4ccccc4)nc3)C[C@@H]21 ZINC000574277294 430028678 /nfs/dbraw/zinc/02/86/78/430028678.db2.gz OHKRUMVPEJNLOB-OKZBNKHCSA-N 2 0 308.429 2.703 20 0 DFADRP Cc1ccc(C[NH+]2CC[C@@H](C[N@@H+](C)CCC[C@@H](C)O)C2)s1 ZINC000574330393 430030938 /nfs/dbraw/zinc/03/09/38/430030938.db2.gz UDNOKAHOGKJFAV-ZBFHGGJFSA-N 2 0 310.507 2.971 20 0 DFADRP C[NH+](C)CCCC[NH2+]C1CCN(CCc2ccc(F)cc2)CC1 ZINC000268994422 276783516 /nfs/dbraw/zinc/78/35/16/276783516.db2.gz KFJQEZMTECXRNI-UHFFFAOYSA-N 2 0 321.484 2.764 20 0 DFADRP C[C@@H]1C[C@H]([NH3+])CC[N@@H+]1CCOc1ccc(C(F)(F)F)cc1 ZINC000574410896 430040695 /nfs/dbraw/zinc/04/06/95/430040695.db2.gz XQPNYLBGGUWMAH-DGCLKSJQSA-N 2 0 302.340 2.896 20 0 DFADRP C[C@@H]1C[C@H](C)C[N@@H+](CCN2CCC(C)([NH+]3CCCC3)CC2)C1 ZINC000639983830 430044425 /nfs/dbraw/zinc/04/44/25/430044425.db2.gz MOTKOUMFIQVJRA-HDICACEKSA-N 2 0 307.526 2.915 20 0 DFADRP CCC1([NH+]2CCCC2)CCN(CC(=O)N2CCC[C@H](C)C2)CC1 ZINC000639987871 430046250 /nfs/dbraw/zinc/04/62/50/430046250.db2.gz JCYQQWVXHWWLSM-KRWDZBQOSA-N 2 0 321.509 2.585 20 0 DFADRP CCC1([NH+]2CCCC2)CCN(C[C@](C)(O)C(F)(F)F)CC1 ZINC000639986412 430046448 /nfs/dbraw/zinc/04/64/48/430046448.db2.gz MCLXVUTVGWRFPI-ZDUSSCGKSA-N 2 0 308.388 2.640 20 0 DFADRP CC1(C)CCC[C@H]([NH2+]CCC[N@@H+]2CCC[C@H](C(N)=O)C2)CC1 ZINC000573935420 429995895 /nfs/dbraw/zinc/99/58/95/429995895.db2.gz FNIUHEKYKTULRO-HOTGVXAUSA-N 2 0 309.498 2.522 20 0 DFADRP CN1CCC[C@@H]1C[NH2+][C@@H]1CCO[C@H]1c1ccc(Cl)c(F)c1 ZINC000639907259 430018215 /nfs/dbraw/zinc/01/82/15/430018215.db2.gz OLSQKZSIIMXEKP-WQVCFCJDSA-N 2 0 312.816 2.993 20 0 DFADRP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)Cc2ccc3cc[nH]c3c2)CC1 ZINC000529527435 430022601 /nfs/dbraw/zinc/02/26/01/430022601.db2.gz CMIIQWSSAKVIFR-OAHLLOKOSA-N 2 0 315.461 2.693 20 0 DFADRP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@@H+]2Cc1ccc2cc[nH]c2c1 ZINC000529537130 430024050 /nfs/dbraw/zinc/02/40/50/430024050.db2.gz PMZVVCKUMTVQKS-NZSAHSFTSA-N 2 0 313.445 2.851 20 0 DFADRP CC1(C)C[NH2+]CC[C@@H]([NH2+]Cc2cncc(Br)c2)C1 ZINC000634733279 430092779 /nfs/dbraw/zinc/09/27/79/430092779.db2.gz BRDMCIYYQNNRGY-CYBMUJFWSA-N 2 0 312.255 2.712 20 0 DFADRP COc1ccc2c(c1)C[C@@H]([NH2+][C@H]1CC[NH2+]CC(C)(C)C1)CC2 ZINC000634733619 430093042 /nfs/dbraw/zinc/09/30/42/430093042.db2.gz JRADOPJZRLHDGF-IRXDYDNUSA-N 2 0 302.462 2.920 20 0 DFADRP CC1(C)C[NH2+]CC[C@H]([NH2+]Cc2cnc3ccc(Cl)cn23)C1 ZINC000634732769 430093216 /nfs/dbraw/zinc/09/32/16/430093216.db2.gz OKWMBJUXUXIJRO-ZDUSSCGKSA-N 2 0 306.841 2.856 20 0 DFADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1N[C@H]1CC[NH2+]C12CCC2 ZINC000530221385 430105493 /nfs/dbraw/zinc/10/54/93/430105493.db2.gz PYFLITYSXUTGNR-NEWSRXKRSA-N 2 0 313.489 2.771 20 0 DFADRP CO[C@H](C[N@@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1)c1ccc(F)cc1 ZINC000530220946 430105583 /nfs/dbraw/zinc/10/55/83/430105583.db2.gz KVKFFXNCSDPGOZ-JFIYKMOQSA-N 2 0 306.425 2.835 20 0 DFADRP CO[C@H](C[N@@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1)c1ccc(F)cc1 ZINC000530221071 430106107 /nfs/dbraw/zinc/10/61/07/430106107.db2.gz CEKRZFYPQNGJBE-KBAYOESNSA-N 2 0 306.425 2.977 20 0 DFADRP CC[NH+](CC)Cc1ccc(C(=O)N[C@@H]2CC[NH2+]CC(C)(C)C2)o1 ZINC000634762271 430106621 /nfs/dbraw/zinc/10/66/21/430106621.db2.gz SWWRLOWNAXYBDV-CQSZACIVSA-N 2 0 321.465 2.629 20 0 DFADRP Cc1cc(C[NH+]2CCC(CO[C@@H]3CC[NH2+]C3)CC2)c(C)s1 ZINC000530242492 430107423 /nfs/dbraw/zinc/10/74/23/430107423.db2.gz TZGMEHKMJCYVKE-QGZVFWFLSA-N 2 0 308.491 2.955 20 0 DFADRP CC(C)CCC[C@@H](C)[NH2+]CC(=O)NCC[NH+]1CCCCCC1 ZINC000560547025 430054001 /nfs/dbraw/zinc/05/40/01/430054001.db2.gz DJMYRLUZBMIPFK-QGZVFWFLSA-N 2 0 311.514 2.783 20 0 DFADRP CCC1([NH+](C)C)CC[NH+](C[C@H](O)[C@@H](C)c2ccccc2)CC1 ZINC000640015196 430054642 /nfs/dbraw/zinc/05/46/42/430054642.db2.gz GVHVGZJMNOIYPI-WMZOPIPTSA-N 2 0 304.478 2.957 20 0 DFADRP CCC1([NH+](C)C)CC[NH+](C[C@H](O)[C@H](C)c2ccccc2)CC1 ZINC000640015193 430054957 /nfs/dbraw/zinc/05/49/57/430054957.db2.gz GVHVGZJMNOIYPI-AEFFLSMTSA-N 2 0 304.478 2.957 20 0 DFADRP C[C@H](C(=O)NC[C@H]1CC[NH+]1C1CCCCC1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000529720877 430062086 /nfs/dbraw/zinc/06/20/86/430062086.db2.gz SMLBUEGSDZAOQZ-KYHPRHEASA-N 2 0 321.509 2.771 20 0 DFADRP CC[C@H]([NH2+][C@H](CN1CC[NH+](C)CC1)c1ccccc1)[C@H]1C[C@@H]1C ZINC000560880536 430070519 /nfs/dbraw/zinc/07/05/19/430070519.db2.gz YOUHKEUWBPXBCC-FRYIKTPZSA-N 2 0 315.505 2.999 20 0 DFADRP C[C@@H]1C[C@@H]([NH3+])CC[N@@H+]1Cc1ccc(OCc2ccncc2)cc1 ZINC000581019692 430170228 /nfs/dbraw/zinc/17/02/28/430170228.db2.gz MLMOCFZKAKOHRJ-QAPCUYQASA-N 2 0 311.429 2.972 20 0 DFADRP C[C@@H]1C[N@H+](CCC[NH2+]Cc2ccc3[nH]ccc3c2)CCCO1 ZINC000580657850 430141887 /nfs/dbraw/zinc/14/18/87/430141887.db2.gz AHBXGJFEVHWITC-OAHLLOKOSA-N 2 0 301.434 2.758 20 0 DFADRP Cc1cnc2cc(C(=O)NCCC[N@H+]3CCCC[C@H]3C)ccn12 ZINC000563370067 430182866 /nfs/dbraw/zinc/18/28/66/430182866.db2.gz OWWXNBRATCEMQP-CQSZACIVSA-N 2 0 314.433 2.637 20 0 DFADRP C[NH+]1CCC(CC[NH2+]C2CCN(CCC(F)(F)F)CC2)CC1 ZINC000356872826 277026128 /nfs/dbraw/zinc/02/61/28/277026128.db2.gz PGYPCDDPIQZISM-UHFFFAOYSA-N 2 0 321.431 2.725 20 0 DFADRP C[NH+]1CCC(N2CC[C@@H]([NH2+][C@H]3CCc4cc(F)ccc43)C2)CC1 ZINC000370625181 277028218 /nfs/dbraw/zinc/02/82/18/277028218.db2.gz VYWRFVYTIRCLFI-APWZRJJASA-N 2 0 317.452 2.571 20 0 DFADRP C[NH+]1CCC(N2CC[C@H]([NH2+][C@@H]3CCC[C@@H]3CCCF)C2)CC1 ZINC000374616578 277028657 /nfs/dbraw/zinc/02/86/57/277028657.db2.gz AHLFJZQZFDCHSJ-SOLBZPMBSA-N 2 0 311.489 2.663 20 0 DFADRP C[NH+]1CCC(N2CC[C@H]([NH2+]C(C3CCC3)C3CCC3)C2)CC1 ZINC000374701529 277028790 /nfs/dbraw/zinc/02/87/90/277028790.db2.gz LULLXZYEYNBPKN-KRWDZBQOSA-N 2 0 305.510 2.713 20 0 DFADRP CCCN(Cc1cccc(-c2ccc(N)cc2)n1)[C@H]1CC[NH2+]C1 ZINC000634991166 430184747 /nfs/dbraw/zinc/18/47/47/430184747.db2.gz SBMQUFHOZJVVRH-SFHVURJKSA-N 2 0 310.445 2.905 20 0 DFADRP C[C@@H]1C[C@@H](C[NH2+][C@@H](CO)c2cccc(C(F)(F)F)c2)CC[NH2+]1 ZINC000634997060 430187022 /nfs/dbraw/zinc/18/70/22/430187022.db2.gz BTWYSAUNDHHLDE-XUJVJEKNSA-N 2 0 316.367 2.717 20 0 DFADRP C[N@H+](Cc1cccc(-c2ccc(N)cc2)n1)[C@H]1CCC[NH2+]CC1 ZINC000634994149 430187265 /nfs/dbraw/zinc/18/72/65/430187265.db2.gz SFSBXHZFEYSLCG-SFHVURJKSA-N 2 0 310.445 2.905 20 0 DFADRP Brc1cccc2c1C[C@@H]1[C@H]([NH2+]CC3CC[NH2+]CC3)[C@H]21 ZINC000634997244 430187510 /nfs/dbraw/zinc/18/75/10/430187510.db2.gz HEOXWOMYIAOXPQ-IMJJTQAJSA-N 2 0 321.262 2.676 20 0 DFADRP [NH3+][C@@H](CC[NH2+][C@@H]1CCCC12CCOCC2)Cc1ccccc1 ZINC000635004672 430194777 /nfs/dbraw/zinc/19/47/77/430194777.db2.gz FXCUKHKNUHGVLV-ZWKOTPCHSA-N 2 0 302.462 2.885 20 0 DFADRP COc1ccccc1SC[C@@H](C)C[NH2+]CC12CC(C1)C[NH2+]2 ZINC000634995694 430187908 /nfs/dbraw/zinc/18/79/08/430187908.db2.gz MPNNCHFVEFUJBY-CBCUQQMYSA-N 2 0 306.475 2.765 20 0 DFADRP C[C@@H]1CC[N@H+](Cc2cccc(-c3ccc(N)cc3)n2)C[C@H]1C[NH3+] ZINC000634996280 430187972 /nfs/dbraw/zinc/18/79/72/430187972.db2.gz FONCQSQBZPZKMH-GDBMZVCRSA-N 2 0 310.445 2.748 20 0 DFADRP C[C@@H]1C[N@H+](Cc2ccccc2OCc2ccccn2)C[C@@H]1C[NH3+] ZINC000634998617 430189007 /nfs/dbraw/zinc/18/90/07/430189007.db2.gz IMHRKBKFJCFKKR-WBVHZDCISA-N 2 0 311.429 2.687 20 0 DFADRP CCCCOc1ccc(C[N@H+]2C[C@@H](C[NH3+])[C@H](C)C2)cc1OC ZINC000635000235 430189261 /nfs/dbraw/zinc/18/92/61/430189261.db2.gz JYAGHONMXHIHEG-GDBMZVCRSA-N 2 0 306.450 2.901 20 0 DFADRP C[C@@H]1C[N@H+](Cc2ccc(N(C)c3ccccc3)nc2)C[C@@H]1C[NH3+] ZINC000634998769 430190127 /nfs/dbraw/zinc/19/01/27/430190127.db2.gz KPMPGXSBLMEVQA-WBVHZDCISA-N 2 0 310.445 2.876 20 0 DFADRP CCc1noc(C2CCC([NH2+][C@H]3CC[C@H](C[NH3+])CC3)CC2)n1 ZINC000635003382 430191385 /nfs/dbraw/zinc/19/13/85/430191385.db2.gz CSGAXONRPSEGME-NZFPVTAUSA-N 2 0 306.454 2.765 20 0 DFADRP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+][C@@H]1[C@H]2Cc3c(cccc3Br)[C@@H]12 ZINC000635003316 430191664 /nfs/dbraw/zinc/19/16/64/430191664.db2.gz HYJVNGBTNFWTCR-UPQAZBFISA-N 2 0 321.262 2.804 20 0 DFADRP C[NH+](C)C[C@H](NC1CC[NH2+]CC1)c1cccc(C(F)(F)F)c1 ZINC000635003105 430191886 /nfs/dbraw/zinc/19/18/86/430191886.db2.gz GAGHPMRABIXLIS-HNNXBMFYSA-N 2 0 315.383 2.650 20 0 DFADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C[NH2+][C@@H]1CC[NH2+]CC[C@@H]1C ZINC000635003830 430192203 /nfs/dbraw/zinc/19/22/03/430192203.db2.gz LYSPIOKNCOGVFH-KVPLUYHFSA-N 3 0 315.505 2.732 20 0 DFADRP C[C@H]1CCCCN1C(=O)C[N@H+](C)CCCC[NH+]1CCCCC1 ZINC000640531425 430192833 /nfs/dbraw/zinc/19/28/33/430192833.db2.gz IMQSTNGGBUCIIS-KRWDZBQOSA-N 2 0 309.498 2.585 20 0 DFADRP COc1ccc([C@H](C)[NH2+]Cc2cccc3c2CC[NH2+]C3)cc1O ZINC000635007493 430192991 /nfs/dbraw/zinc/19/29/91/430192991.db2.gz DJKBFDLCQDSJKR-ZDUSSCGKSA-N 2 0 312.413 2.897 20 0 DFADRP COc1ccc(C[C@H](C)[NH2+]CC[C@H]([NH3+])Cc2ccccc2)cn1 ZINC000635004916 430193194 /nfs/dbraw/zinc/19/31/94/430193194.db2.gz GETHSPKFSMYMPJ-YJBOKZPZSA-N 2 0 313.445 2.571 20 0 DFADRP COc1ccc([C@@H](C)[NH2+]Cc2cccc3c2CC[NH2+]C3)cc1O ZINC000635007483 430193700 /nfs/dbraw/zinc/19/37/00/430193700.db2.gz DJKBFDLCQDSJKR-CYBMUJFWSA-N 2 0 312.413 2.897 20 0 DFADRP C[C@H](Nc1cc(N2CC[NH2+]CC2)cc[nH+]1)c1cccc(F)c1 ZINC000635007078 430194176 /nfs/dbraw/zinc/19/41/76/430194176.db2.gz DRUPWQMZZIZADT-ZDUSSCGKSA-N 2 0 300.381 2.803 20 0 DFADRP C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2cc3ccccc3[nH]c2=O)C1 ZINC000290572583 277183024 /nfs/dbraw/zinc/18/30/24/277183024.db2.gz TYLIZTDYLGBNII-QAPCUYQASA-N 2 0 311.429 2.857 20 0 DFADRP C[C@@H]1Cc2ccccc2[C@H]1Nc1cc(N2CC[NH2+]CC2)cc[nH+]1 ZINC000635010272 430195264 /nfs/dbraw/zinc/19/52/64/430195264.db2.gz RLHNRCBGDIXFQC-KUHUBIRLSA-N 2 0 308.429 2.837 20 0 DFADRP c1ccc([C@@H]2OCC[C@H]2C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000635012687 430195693 /nfs/dbraw/zinc/19/56/93/430195693.db2.gz NKVXGVIYXWYDBF-ZRSRNVLSSA-N 2 0 300.446 2.742 20 0 DFADRP CC(C)C1(C[NH+]2CCN(CC[NH+]3[C@@H](C)CC[C@@H]3C)CC2)CC1 ZINC000637985422 430195727 /nfs/dbraw/zinc/19/57/27/430195727.db2.gz QVAOSLJBBMRTCD-ROUUACIJSA-N 2 0 307.526 2.913 20 0 DFADRP C[C@@H](c1ccccc1)N1CC[C@@H]([NH2+][C@H]2CC[C@H](C[NH3+])CC2)C1 ZINC000635008851 430196864 /nfs/dbraw/zinc/19/68/64/430196864.db2.gz VVDSZFWQLPCIQK-PBWTXFEYSA-N 2 0 301.478 2.929 20 0 DFADRP C[C@H](Nc1cc(N2CC[NH2+]CC2)cc[nH+]1)c1ccc(F)c(F)c1 ZINC000635010847 430196878 /nfs/dbraw/zinc/19/68/78/430196878.db2.gz WDMCNYXYSJGPJZ-LBPRGKRZSA-N 2 0 318.371 2.943 20 0 DFADRP C[C@@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]CCn1ccc(C(F)(F)F)n1 ZINC000635014434 430197825 /nfs/dbraw/zinc/19/78/25/430197825.db2.gz ULIDUUHKGRVHTI-STQMWFEESA-N 2 0 318.387 2.802 20 0 DFADRP COc1cc2c(cc1OC)[C@H]([N@H+](C)CC1CC[NH+](C)CC1)CC2 ZINC000638028542 430211615 /nfs/dbraw/zinc/21/16/15/430211615.db2.gz GPJKWUPJSOOIQY-QGZVFWFLSA-N 2 0 318.461 2.965 20 0 DFADRP Oc1cccnc1CN1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000581396688 430203793 /nfs/dbraw/zinc/20/37/93/430203793.db2.gz POWXRUSWMWZSJS-HXUWFJFHSA-N 2 0 323.440 2.885 20 0 DFADRP CC(C)CC[C@H]([NH3+])C(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000638053100 430221185 /nfs/dbraw/zinc/22/11/85/430221185.db2.gz GMDMZKYKYJMCJG-SFHVURJKSA-N 2 0 317.477 2.662 20 0 DFADRP CC[NH2+][C@H](C)C(=O)NCc1ccccc1C[N@@H+]1CCC[C@@H](C)C1 ZINC000638063371 430224232 /nfs/dbraw/zinc/22/42/32/430224232.db2.gz MFEUPTFGUXLJOJ-HZPDHXFCSA-N 2 0 317.477 2.533 20 0 DFADRP CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)CC[C@@H]2CCCC[NH+]2C)C1 ZINC000355152308 277390497 /nfs/dbraw/zinc/39/04/97/277390497.db2.gz RLZQDLKDTASJCJ-ROUUACIJSA-N 2 0 323.525 2.735 20 0 DFADRP CCO[C@@H]1C[C@H]1[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000565520460 430214953 /nfs/dbraw/zinc/21/49/53/430214953.db2.gz XDPQQDLVFCOBIV-RHQZKXFESA-N 2 0 300.446 2.949 20 0 DFADRP C[C@H]1C[C@@H](N(C)Cc2ccccc2OCCCCO)CC[N@@H+]1C ZINC000638118323 430241954 /nfs/dbraw/zinc/24/19/54/430241954.db2.gz XLCYVQULJSKMAW-WMZOPIPTSA-N 2 0 320.477 2.752 20 0 DFADRP CC(C)CC[C@@H]([NH3+])C(=O)NCC1CC[NH+](CCC(C)C)CC1 ZINC000638131279 430246751 /nfs/dbraw/zinc/24/67/51/430246751.db2.gz LDIYIGUSDYJJKL-QGZVFWFLSA-N 2 0 311.514 2.624 20 0 DFADRP Cc1scc(C[N@@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@H](C)C2)c1C ZINC000638138207 430248234 /nfs/dbraw/zinc/24/82/34/430248234.db2.gz XTRCUQUAZQPOFX-RDTXWAMCSA-N 2 0 321.534 2.823 20 0 DFADRP CO[C@@]1(C[NH+]2CCC(CC[N@@H+]3CCCC[C@H]3C)CC2)CCOC1 ZINC000638154789 430254438 /nfs/dbraw/zinc/25/44/38/430254438.db2.gz UWHYVIUUBGKBKP-IEBWSBKVSA-N 2 0 324.509 2.768 20 0 DFADRP C[C@@H]1CCC[N@H+](CCCCNC(=O)C[NH+](C)CC(C)(C)C)C1 ZINC000635324255 430254637 /nfs/dbraw/zinc/25/46/37/430254637.db2.gz GFBIGZRZHPIVAW-MRXNPFEDSA-N 2 0 311.514 2.593 20 0 DFADRP C[C@H]1CCCC[N@@H+]1CCCCNC(=O)[C@H]1CC[NH+]1C1CCCC1 ZINC000635323716 430254837 /nfs/dbraw/zinc/25/48/37/430254837.db2.gz AVQBCCSJEIJFOC-FUHWJXTLSA-N 2 0 321.509 2.774 20 0 DFADRP Cc1nc(C[NH3+])ccc1[C@H](C)N[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000566408011 430257066 /nfs/dbraw/zinc/25/70/66/430257066.db2.gz XJVQUFKAJYJGJE-GOEBONIOSA-N 2 0 302.466 2.516 20 0 DFADRP C[C@@H]1CCCC[N@@H+]1CCCNC(=O)[C@@H]1CCCCCC[C@H]1[NH3+] ZINC000581999744 430257248 /nfs/dbraw/zinc/25/72/48/430257248.db2.gz FVPPPYCRAPPVMX-BRWVUGGUSA-N 2 0 309.498 2.665 20 0 DFADRP COc1cncc(C[N@@H+]2CC[C@@H](C)[C@@H](n3ccnc3)C2)c1C ZINC000638173281 430258807 /nfs/dbraw/zinc/25/88/07/430258807.db2.gz VFJPKOAUELXITG-CJNGLKHVSA-N 2 0 300.406 2.678 20 0 DFADRP C[N@@H+]1CCC[C@@H]2C[NH+](C[C@@H]3CCN(c4ccccc4)C3)CC[C@@H]21 ZINC000638176456 430261830 /nfs/dbraw/zinc/26/18/30/430261830.db2.gz DTKQPCGIDTUCIA-NSHGMRRFSA-N 2 0 313.489 2.929 20 0 DFADRP C[N@H+](Cc1ccccc1)[C@H](CN[C@@H]1CCC[C@@H]([NH3+])C1)C1CC1 ZINC000566482475 430265906 /nfs/dbraw/zinc/26/59/06/430265906.db2.gz NWGLIAREMNIDIB-GUDVDZBRSA-N 2 0 301.478 2.757 20 0 DFADRP CCN(C(=O)[C@@H](C)[NH+](C)C)[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000635404883 430269388 /nfs/dbraw/zinc/26/93/88/430269388.db2.gz JZYINQZVQYJOLG-JFIYKMOQSA-N 2 0 317.477 2.621 20 0 DFADRP C[N@@H+]1CCCC[C@H]1CCC(=O)N1CCC(C)([NH+]2CCCC2)CC1 ZINC000640878403 430275221 /nfs/dbraw/zinc/27/52/21/430275221.db2.gz AGSFXOQVYZLTFQ-KRWDZBQOSA-N 2 0 321.509 2.728 20 0 DFADRP OC1(C[NH2+]C[C@H]2CCCN(Cc3cccs3)C2)CCCC1 ZINC000565712913 430225583 /nfs/dbraw/zinc/22/55/83/430225583.db2.gz WLRUAMRQGNDXRI-OAHLLOKOSA-N 2 0 308.491 2.855 20 0 DFADRP Cc1cc(C[NH3+])oc1C(=O)NCCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000638067670 430226371 /nfs/dbraw/zinc/22/63/71/430226371.db2.gz SRDUGYSHUQDTKN-OKILXGFUSA-N 2 0 321.465 2.535 20 0 DFADRP CC[NH2+][C@@H](C)C(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC000638078123 430228635 /nfs/dbraw/zinc/22/86/35/430228635.db2.gz DCVBAKGLCDZAIY-HNNXBMFYSA-N 2 0 303.450 2.652 20 0 DFADRP CCCC[NH+]1CCC([NH2+]C[C@@H](O)Cc2ccc(F)cc2)CC1 ZINC000565887489 430232238 /nfs/dbraw/zinc/23/22/38/430232238.db2.gz SIJWPGVCTXTKGJ-SFHVURJKSA-N 2 0 308.441 2.583 20 0 DFADRP CC(C)c1ncc(C[NH+]2CCC([C@@H]3OCCC[C@@H]3[NH3+])CC2)s1 ZINC000581713912 430233731 /nfs/dbraw/zinc/23/37/31/430233731.db2.gz BNRQOKJJQLFFEB-HOTGVXAUSA-N 2 0 323.506 2.985 20 0 DFADRP CC(C)[NH+]1CCN([C@@H]2CC[N@H+](CCC3=CCCCC3)C2)CC1 ZINC000581707563 430233921 /nfs/dbraw/zinc/23/39/21/430233921.db2.gz YQQZRSCKKXZXFZ-LJQANCHMSA-N 2 0 305.510 2.977 20 0 DFADRP C[C@H]([NH2+]CC1CC[NH2+]CC1)c1ccc(-n2cncn2)cc1Cl ZINC000582295307 430286569 /nfs/dbraw/zinc/28/65/69/430286569.db2.gz VJQRHHPAJVSKDM-LBPRGKRZSA-N 2 0 319.840 2.571 20 0 DFADRP CCC[C@H]([NH2+]CCCC[NH+]1CCN(C)CC1)c1cccnc1 ZINC000544578885 430289067 /nfs/dbraw/zinc/28/90/67/430289067.db2.gz HRXLSLNOTBVTIU-SFHVURJKSA-N 2 0 304.482 2.540 20 0 DFADRP CC(C)[NH2+]CCCN[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000582481433 430303627 /nfs/dbraw/zinc/30/36/27/430303627.db2.gz CBLHBFXOKXZKIN-MJGOQNOKSA-N 2 0 303.494 2.875 20 0 DFADRP CC(C)(O)C[NH+]1CCC(NCc2ccc(Cl)s2)CC1 ZINC000638320997 430303733 /nfs/dbraw/zinc/30/37/33/430303733.db2.gz HTASMHNLURWFKJ-UHFFFAOYSA-N 2 0 302.871 2.726 20 0 DFADRP CCC[NH+]1CCC([NH2+]CCC(=O)Nc2cccc(F)c2C)CC1 ZINC000582525290 430307236 /nfs/dbraw/zinc/30/72/36/430307236.db2.gz WPSFENLJVYFOOH-UHFFFAOYSA-N 2 0 321.440 2.927 20 0 DFADRP C[C@H](CC(=O)N(C)[C@@H](c1ncc[nH]1)c1ccccc1)n1ccnc1 ZINC000568045131 430309120 /nfs/dbraw/zinc/30/91/20/430309120.db2.gz NPEJXOJQZBCCOR-RHSMWYFYSA-N 2 0 323.400 2.805 20 0 DFADRP [NH3+][C@@H](CCC(=O)NC1CC([NH+]2CCCCC2)C1)c1ccccc1 ZINC000582604965 430314925 /nfs/dbraw/zinc/31/49/25/430314925.db2.gz PGKNRWGYJYNTSV-ABHNRTSZSA-N 2 0 315.461 2.600 20 0 DFADRP [NH3+][C@@H]1C[C@@H]([NH2+][C@@H]2CCN(c3ncccc3F)C2)c2ccccc21 ZINC000582660033 430320687 /nfs/dbraw/zinc/32/06/87/430320687.db2.gz KYOBLXKQGAFYCG-CSMYWGQOSA-N 2 0 312.392 2.534 20 0 DFADRP CCc1ccc([C@@H]2C[C@@H](C)CCN2C[C@@H](O)C[N@@H+](C)CC)o1 ZINC000568164078 430322386 /nfs/dbraw/zinc/32/23/86/430322386.db2.gz IMQYYUAJBUCKFR-ZOBUZTSGSA-N 2 0 308.466 2.928 20 0 DFADRP C[C@@H](C[NH2+]C[C@@H]1CCN(c2ccccc2)C1)C[NH+]1CCCC1 ZINC000638386781 430324821 /nfs/dbraw/zinc/32/48/21/430324821.db2.gz OZBVCAJECILZOI-ROUUACIJSA-N 2 0 301.478 2.834 20 0 DFADRP CO[C@@H](C[NH2+]Cc1cccc(C[N@H+](C)C(C)C)c1)[C@H]1CCOC1 ZINC000638434118 430340711 /nfs/dbraw/zinc/34/07/11/430340711.db2.gz HSYFANSKPFAYOF-OALUTQOASA-N 2 0 320.477 2.668 20 0 DFADRP CO[C@@](C)(C[NH2+]Cc1ccccc1OCC[NH+](C)C)C1CC1 ZINC000638444947 430344812 /nfs/dbraw/zinc/34/48/12/430344812.db2.gz KUMSNSBFQAQOSE-SFHVURJKSA-N 2 0 306.450 2.532 20 0 DFADRP Cc1ccc(CC[NH2+][C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)cn1 ZINC000568988719 430412935 /nfs/dbraw/zinc/41/29/35/430412935.db2.gz DKESKWXJUINANE-UYAOXDASSA-N 2 0 323.440 2.778 20 0 DFADRP Cc1ccc(C[NH+]2CCCC2)cc1NC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC000569017856 430415286 /nfs/dbraw/zinc/41/52/86/430415286.db2.gz WFLDEZVYWFUALF-OAHLLOKOSA-N 2 0 315.461 2.871 20 0 DFADRP C[C@H]1C[C@@H]([NH2+]Cc2ccccc2C[NH+]2CCC(O)CC2)CS1 ZINC000638718163 430415632 /nfs/dbraw/zinc/41/56/32/430415632.db2.gz FEBKKBPTOOXFPG-WMLDXEAASA-N 2 0 320.502 2.627 20 0 DFADRP CC[NH+](CC)[C@@H](CNC(=O)C[C@H](C)n1ccnc1)c1ccco1 ZINC000568398873 430354006 /nfs/dbraw/zinc/35/40/06/430354006.db2.gz QHAOAPRGAXPFDB-GJZGRUSLSA-N 2 0 318.421 2.627 20 0 DFADRP C[C@H](CC[NH2+]CCCC[NH+]1CCN(C)CC1)c1ccccc1 ZINC000568472093 430360519 /nfs/dbraw/zinc/36/05/19/430360519.db2.gz AOJCVASPDTZZKA-GOSISDBHSA-N 2 0 303.494 2.797 20 0 DFADRP CC[NH+]1CCC(C[NH2+]C[C@@H](O)Cc2cccc(Cl)c2)CC1 ZINC000583138766 430366367 /nfs/dbraw/zinc/36/63/67/430366367.db2.gz IMLDHSYSTHQQTK-KRWDZBQOSA-N 2 0 310.869 2.565 20 0 DFADRP CCC[C@@H](C[NH2+]C[C@@H]1CC[N@H+](CCc2ccccc2)C1)OC ZINC000638521307 430367115 /nfs/dbraw/zinc/36/71/15/430367115.db2.gz GKIJCECOKDENHP-OALUTQOASA-N 2 0 304.478 2.956 20 0 DFADRP CCO[C@@H]1C[C@H]([NH2+]CCCCC[NH+]2CCCCC2)[C@]12CCCO2 ZINC000638527930 430368240 /nfs/dbraw/zinc/36/82/40/430368240.db2.gz OBPAKZXJGUYJPK-IPMKNSEASA-N 2 0 324.509 2.959 20 0 DFADRP CC(C)(O)C[NH+]1CCC([NH2+][C@@H]2CCc3ccc(F)cc32)CC1 ZINC000638543960 430371672 /nfs/dbraw/zinc/37/16/72/430371672.db2.gz QGVJJGOTBMWYMG-QGZVFWFLSA-N 2 0 306.425 2.638 20 0 DFADRP CC[C@@H](C(=O)N1CCCc2cccc(C[NH3+])c21)[NH+](CC)CC ZINC000638543603 430372696 /nfs/dbraw/zinc/37/26/96/430372696.db2.gz CJBXAVTUDUXPSO-INIZCTEOSA-N 2 0 303.450 2.545 20 0 DFADRP C[C@H](C[NH2+]C1CCC(=C2CCC2)CC1)CN1CC[NH+](C)CC1 ZINC000638553100 430375641 /nfs/dbraw/zinc/37/56/41/430375641.db2.gz QUIYCIHUDVFVER-MRXNPFEDSA-N 2 0 305.510 2.883 20 0 DFADRP Cc1cccc(NC(=O)C[C@H](C)[N@@H+]2C[C@@H](C)[C@](C)(C[NH3+])C2)c1 ZINC000568617993 430376654 /nfs/dbraw/zinc/37/66/54/430376654.db2.gz KLEDQRUPBVQDLI-RVKKMQEKSA-N 2 0 303.450 2.629 20 0 DFADRP CC[C@H](O)C[NH2+]CC1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000568619685 430376692 /nfs/dbraw/zinc/37/66/92/430376692.db2.gz FWGOAUONTOQUOH-INIZCTEOSA-N 2 0 310.869 2.913 20 0 DFADRP CC[N@H+](C)Cc1cccc(C[NH2+]Cc2cc(OC)ns2)c1 ZINC000638564002 430376828 /nfs/dbraw/zinc/37/68/28/430376828.db2.gz UTDPDFYYXQVRDE-UHFFFAOYSA-N 2 0 305.447 2.893 20 0 DFADRP C[NH+]1CCC(CC[NH2+]C[C@@H]2CCN(c3ccccc3)C2)CC1 ZINC000638566280 430378836 /nfs/dbraw/zinc/37/88/36/430378836.db2.gz GDAGQRSFSCFYQO-SFHVURJKSA-N 2 0 301.478 2.834 20 0 DFADRP CCC[NH+]1CCC(C[NH2+]C[C@H](Cc2ccccc2)OC)CC1 ZINC000638566089 430378891 /nfs/dbraw/zinc/37/88/91/430378891.db2.gz ZZJLGRQMKRCMBQ-IBGZPJMESA-N 2 0 304.478 2.956 20 0 DFADRP c1cc(OCC[NH+]2CCCC2)ccc1C[NH2+]CCC[C@@H]1CCO1 ZINC000638608207 430388009 /nfs/dbraw/zinc/38/80/09/430388009.db2.gz CBHZQOORQYEXCM-GOSISDBHSA-N 2 0 318.461 2.820 20 0 DFADRP CCn1c2ccccc2nc1C[N@@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000568761789 430390204 /nfs/dbraw/zinc/39/02/04/430390204.db2.gz IMKWWMXXXJGOBR-CVEARBPZSA-N 2 0 312.461 2.878 20 0 DFADRP CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)C(C)(C)[C@@H]([NH3+])c1ccccc1 ZINC000568766800 430392375 /nfs/dbraw/zinc/39/23/75/430392375.db2.gz MVNPIRLRJVEFHF-WBVHZDCISA-N 2 0 317.477 2.513 20 0 DFADRP OC[C@H]1CCC[N@@H+]1CCCC[NH2+]C[C@H]1CCc2ccccc2C1 ZINC000638621320 430392417 /nfs/dbraw/zinc/39/24/17/430392417.db2.gz WEMUCGAJICFWRF-FXAWDEMLSA-N 2 0 316.489 2.618 20 0 DFADRP Cc1ccc(CC[NH2+]C2CC[NH+](C[C@H]3CCOC3)CC2)cc1 ZINC000638669702 430403939 /nfs/dbraw/zinc/40/39/39/430403939.db2.gz VPNALJIKAOSLGT-GOSISDBHSA-N 2 0 302.462 2.628 20 0 DFADRP c1cn2c(n1)C[C@@H]([NH2+]Cc1csc(-c3ccccn3)n1)CC2 ZINC000547969073 430433510 /nfs/dbraw/zinc/43/35/10/430433510.db2.gz HOLGZVULSJNSBN-LBPRGKRZSA-N 2 0 311.414 2.506 20 0 DFADRP C[NH+](C)CC1(C(=O)Nc2ccc3c(c2)CC[C@H]3[NH+](C)C)CC1 ZINC000635997267 430433517 /nfs/dbraw/zinc/43/35/17/430433517.db2.gz STFPWSYVFXJCON-MRXNPFEDSA-N 2 0 301.434 2.516 20 0 DFADRP C[C@@H](O)C[NH2+]C[C@]1(C(C)(C)C)CC[N@H+](Cc2ccccc2)C1 ZINC000638796842 430436992 /nfs/dbraw/zinc/43/69/92/430436992.db2.gz MSNOCJZTECTOEX-VQIMIIECSA-N 2 0 304.478 2.895 20 0 DFADRP C[NH+]1CCC(CC[NH2+][C@@H](c2nnc[nH]2)C2CCCCC2)CC1 ZINC000583907967 430439434 /nfs/dbraw/zinc/43/94/34/430439434.db2.gz UKPZZIOCYDGPPT-MRXNPFEDSA-N 2 0 305.470 2.748 20 0 DFADRP C[C@@H](CNC(=O)CC[N@H+](C)C1CCCCC1)[NH+]1CCC[C@@H](C)C1 ZINC000548061034 430442831 /nfs/dbraw/zinc/44/28/31/430442831.db2.gz PFVSOGDKBFHUOX-SJORKVTESA-N 2 0 323.525 2.878 20 0 DFADRP CC[NH+](CC)CCC[C@@H](C)[NH2+]Cc1ccc2[nH]c(=O)[nH]c2c1 ZINC000641701498 430445902 /nfs/dbraw/zinc/44/59/02/430445902.db2.gz SEVWDAJDFQLILJ-CYBMUJFWSA-N 2 0 304.438 2.869 20 0 DFADRP C[C@H]([NH3+])[C@H](C)C(=O)N[C@@H]1CCCCC[N@H+](Cc2ccccc2)C1 ZINC000638850719 430454877 /nfs/dbraw/zinc/45/48/77/430454877.db2.gz GTEAKSLSFPBNSL-XYJFISCASA-N 2 0 317.477 2.531 20 0 DFADRP C[C@@H](C(=O)N[C@H]1CCCCC[N@H+](Cc2ccccc2)C1)[C@H](C)[NH3+] ZINC000638850702 430455251 /nfs/dbraw/zinc/45/52/51/430455251.db2.gz GTEAKSLSFPBNSL-RYRKJORJSA-N 2 0 317.477 2.531 20 0 DFADRP C[C@@H]1C[N@@H+](Cc2cccc(N[C@@H]3CCC[C@H]([NH3+])C3)c2)C[C@H](C)O1 ZINC000569473329 430456647 /nfs/dbraw/zinc/45/66/47/430456647.db2.gz XEPWMIXWINWVNR-JHDROBOHSA-N 2 0 317.477 2.978 20 0 DFADRP Nc1cnccc1C[NH2+][C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000641746654 430459005 /nfs/dbraw/zinc/45/90/05/430459005.db2.gz BSHATQFEQAVCMJ-CMKODMSKSA-N 2 0 322.456 2.664 20 0 DFADRP COc1cccc2c1CCC[C@H]2[NH2+]C[C@H]1CCCCN1CCO ZINC000584154957 430463567 /nfs/dbraw/zinc/46/35/67/430463567.db2.gz ZXAWIRUAEVPLOF-CRAIPNDOSA-N 2 0 318.461 2.509 20 0 DFADRP O=c1[nH]c2ccc(C[NH2+]CCCCC[NH+]3CCCC3)cc2[nH]1 ZINC000641756590 430463557 /nfs/dbraw/zinc/46/35/57/430463557.db2.gz FVQZTSPCTPAAIB-UHFFFAOYSA-N 2 0 302.422 2.624 20 0 DFADRP O=C([C@@H]1CCCCC[NH2+]1)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000569608579 430471700 /nfs/dbraw/zinc/47/17/00/430471700.db2.gz KPAITGHMDSGPNO-ROUUACIJSA-N 2 0 321.509 2.633 20 0 DFADRP CC1(C)[C@@H]([NH3+])C[C@@H]1[NH2+]Cc1ccc(OCc2ccncc2)cc1 ZINC000641801187 430477289 /nfs/dbraw/zinc/47/72/89/430477289.db2.gz AXEBSCZCHDURNQ-ROUUACIJSA-N 2 0 311.429 2.876 20 0 DFADRP CC1(C)[C@@H]([NH3+])C[C@@H]1[NH2+]Cc1cccc(OCC(F)(F)F)c1 ZINC000641806419 430478908 /nfs/dbraw/zinc/47/89/08/430478908.db2.gz PIEFITASHPEKFP-STQMWFEESA-N 2 0 302.340 2.843 20 0 DFADRP CO[C@H](C[NH2+]C1CC[NH+]([C@H]2CCCC[C@H]2O)CC1)C1CCCC1 ZINC000638749880 430424894 /nfs/dbraw/zinc/42/48/94/430424894.db2.gz MBQAGWLRMCMVSX-IPMKNSEASA-N 2 0 324.509 2.549 20 0 DFADRP CO[C@H](C[NH2+]C1CCC([NH+]2CCC(C)CC2)CC1)[C@H]1CCOC1 ZINC000638776915 430431399 /nfs/dbraw/zinc/43/13/99/430431399.db2.gz SJKLPPCDTAIAJS-MKCYZYCBSA-N 2 0 324.509 2.671 20 0 DFADRP CC1CC[NH+](C2CCC([NH2+]CCCc3cnn(C)c3)CC2)CC1 ZINC000638778450 430432047 /nfs/dbraw/zinc/43/20/47/430432047.db2.gz ZJQDZNQPPBHUON-UHFFFAOYSA-N 2 0 318.509 2.985 20 0 DFADRP CCC(CC)[C@H](CC[NH2+]C1CC[NH+](CC(C)(C)O)CC1)OC ZINC000638785290 430433338 /nfs/dbraw/zinc/43/33/38/430433338.db2.gz UTCQIEMBUHBCTK-KRWDZBQOSA-N 2 0 314.514 2.653 20 0 DFADRP CCC[C@H](C[NH2+]Cc1ccccc1C[N@@H+]1CCC[C@H]1CO)OC ZINC000638970290 430484204 /nfs/dbraw/zinc/48/42/04/430484204.db2.gz KVOYMNHWOVITRK-RBUKOAKNSA-N 2 0 320.477 2.548 20 0 DFADRP CC[C@](C)(C[NH2+]Cc1ccccc1C[N@@H+]1CCC[C@@H]1CO)OC ZINC000638972569 430484616 /nfs/dbraw/zinc/48/46/16/430484616.db2.gz VGKNRBUVKZXRCV-RTBURBONSA-N 2 0 320.477 2.548 20 0 DFADRP C[C@](O)(C[NH2+]Cc1cccc(C[NH+]2CCCC2)c1)C(F)(F)F ZINC000569837790 430490630 /nfs/dbraw/zinc/49/06/30/430490630.db2.gz VXDJHPVPRHIGLM-HNNXBMFYSA-N 2 0 316.367 2.685 20 0 DFADRP C[N@H+](CCC(=O)N1CC[C@H]2[C@H](CCC[NH+]2C)C1)C1CCCCC1 ZINC000548719911 430494272 /nfs/dbraw/zinc/49/42/72/430494272.db2.gz TWCFTKWVQFXACP-AEFFLSMTSA-N 2 0 321.509 2.584 20 0 DFADRP CC(C)[NH+]1CCC(N(C)C(=O)CC[N@H+](C)C2CCCCC2)CC1 ZINC000548721657 430494920 /nfs/dbraw/zinc/49/49/20/430494920.db2.gz DHJMEBAJDWQWEP-UHFFFAOYSA-N 2 0 323.525 2.972 20 0 DFADRP Cc1nc(C[NH3+])ccc1[C@@H](C)NC1CC([NH+]2CCCCC2)C1 ZINC000569919263 430496630 /nfs/dbraw/zinc/49/66/30/430496630.db2.gz UZSYENWCQQEQOS-ODIFPOPNSA-N 2 0 302.466 2.516 20 0 DFADRP C[C@@H](CCN1CC[NH+](C)CC1)[NH2+]C[C@@]1(C)C[C@@H]1c1ccccc1 ZINC000639057702 430506279 /nfs/dbraw/zinc/50/62/79/430506279.db2.gz UWALGYZMGZNOCC-DFQSSKMNSA-N 2 0 315.505 2.796 20 0 DFADRP C[C@@H](C(=O)N1CC[C@@H](C[NH3+])c2ccccc21)[NH+]1CCCCCC1 ZINC000639067675 430511151 /nfs/dbraw/zinc/51/11/51/430511151.db2.gz KTWBXLGTFBLFKO-HOTGVXAUSA-N 2 0 315.461 2.730 20 0 DFADRP C[N@H+](C[C@H]1CCN(c2ccccc2)C1)C[C@H]1CCc2nccn2C1 ZINC000639078336 430515025 /nfs/dbraw/zinc/51/50/25/430515025.db2.gz ZLNZONILZDLJPN-QZTJIDSGSA-N 2 0 324.472 2.904 20 0 DFADRP C[NH+](C)[C@H]1CCCN([C@H](c2nc[nH]n2)C2CCCCC2)CC1 ZINC000639103198 430524113 /nfs/dbraw/zinc/52/41/13/430524113.db2.gz HXHNGONJJOMBKE-HOTGVXAUSA-N 2 0 305.470 2.842 20 0 DFADRP CO[C@H](C[NH2+]CC1CC[NH+](C2CC2)CC1)Cc1ccccc1 ZINC000639109399 430527889 /nfs/dbraw/zinc/52/78/89/430527889.db2.gz ZDSFKPQBEZPKKC-IBGZPJMESA-N 2 0 302.462 2.708 20 0 DFADRP CO[C@](C)(C[NH2+]C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C1CC1 ZINC000639117503 430531308 /nfs/dbraw/zinc/53/13/08/430531308.db2.gz GYIXCJSKWIYEKO-PKOBYXMFSA-N 2 0 302.462 2.913 20 0 DFADRP COc1ccc([C@H](NC[C@@H]2CCC[C@@H]([NH3+])C2)[C@@H]2CCC[NH2+]2)cc1 ZINC000570389246 430539506 /nfs/dbraw/zinc/53/95/06/430539506.db2.gz ZXBKADVNBMAUOI-JZGRTCEGSA-N 2 0 317.477 2.595 20 0 DFADRP CN1CC[C@@H]([NH2+]Cc2ccc(C(N)=O)cc2)C[C@H]1c1ccccc1 ZINC000550996863 430548310 /nfs/dbraw/zinc/54/83/10/430548310.db2.gz GVHJKGLTNRKCFO-MOPGFXCFSA-N 2 0 323.440 2.711 20 0 DFADRP CC(C)[N@@H+]1CC[C@H](CNCc2cnn(-c3ccc(F)cc3)c2)C1 ZINC000551870368 430566542 /nfs/dbraw/zinc/56/65/42/430566542.db2.gz YMCWERQZJZRCBH-OAHLLOKOSA-N 2 0 316.424 2.831 20 0 DFADRP C[C@H](N[C@@H](C[NH+]1CCCCC1)c1ccccc1)[C@@H]1CC[NH2+]C1 ZINC000643451908 430601507 /nfs/dbraw/zinc/60/15/07/430601507.db2.gz WJRARYRVLBZWRV-UHOSZYNNSA-N 2 0 301.478 2.801 20 0 DFADRP CC[NH+](CC)CCO[C@H]1CC[N@H+](CC2Cc3ccccc3C2)C1 ZINC000570736663 430573576 /nfs/dbraw/zinc/57/35/76/430573576.db2.gz USKFMSQWNZYYAC-FQEVSTJZSA-N 2 0 316.489 2.834 20 0 DFADRP CC(C)(O)C[NH+]1CCC([NH2+]C[C@@H]2C[C@H]2c2ccccc2)CC1 ZINC000639210504 430574612 /nfs/dbraw/zinc/57/46/12/430574612.db2.gz LNSZTORJHOIXOD-WMZOPIPTSA-N 2 0 302.462 2.615 20 0 DFADRP C[C@H]([NH2+]C[C@H]1CCN(c2ccc(F)c(F)c2)C1)[C@H]1CCC[NH2+]C1 ZINC000643453224 430601902 /nfs/dbraw/zinc/60/19/02/430601902.db2.gz POERXORAFSWRDQ-ZNMIVQPWSA-N 2 0 323.431 2.769 20 0 DFADRP COc1ccc2c(c1)[C@@H]([NH2+][C@@H]1CC[N@H+](C)[C@H]3CCC[C@H]31)CCO2 ZINC000552065205 430583375 /nfs/dbraw/zinc/58/33/75/430583375.db2.gz JTEUCXXDNVCZRE-RANZSIQMSA-N 2 0 316.445 2.981 20 0 DFADRP FC(F)(F)c1ccc(N2CC[C@@H]([NH2+]C3CC[NH2+]CC3)C2)cc1 ZINC000643455539 430602004 /nfs/dbraw/zinc/60/20/04/430602004.db2.gz RUULWHKBCDETMA-CQSZACIVSA-N 2 0 313.367 2.626 20 0 DFADRP O=C(C[NH2+][C@H]1CCCC[C@H]1C1CC1)NCC[NH+]1CCCCCC1 ZINC000552279472 430592368 /nfs/dbraw/zinc/59/23/68/430592368.db2.gz MBAZCMCOUHRDNQ-ROUUACIJSA-N 2 0 321.509 2.537 20 0 DFADRP C[C@@H]([NH2+]CC1(O)CC[NH+](Cc2ccccc2)CC1)[C@@H]1CC1(F)F ZINC000639264506 430592366 /nfs/dbraw/zinc/59/23/66/430592366.db2.gz FEOMLTSIVXDRFU-ZBFHGGJFSA-N 2 0 324.415 2.647 20 0 DFADRP COC[C@@H](C)C[N@H+](Cc1ccsc1)[C@H]1CC12CC[NH2+]CC2 ZINC000570966351 430592822 /nfs/dbraw/zinc/59/28/22/430592822.db2.gz UAEGIPMWHGXHDM-HOCLYGCPSA-N 2 0 308.491 2.975 20 0 DFADRP O=C(C[NH2+][C@@H]1CCCC[C@H]1C1CC1)NCC[NH+]1CCCCCC1 ZINC000552279473 430593047 /nfs/dbraw/zinc/59/30/47/430593047.db2.gz MBAZCMCOUHRDNQ-ZWKOTPCHSA-N 2 0 321.509 2.537 20 0 DFADRP COc1nc2ccccc2cc1C[N@@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000571088130 430602218 /nfs/dbraw/zinc/60/22/18/430602218.db2.gz MBBGPXOYHZPSOQ-XIRDDKMYSA-N 2 0 311.429 2.803 20 0 DFADRP COc1ccc([C@@H](C[NH3+])CN2CC(C)(C)OCC2(C)C)cc1 ZINC000643057872 430545682 /nfs/dbraw/zinc/54/56/82/430545682.db2.gz PSEVZZQIXDJAGZ-HNNXBMFYSA-N 2 0 306.450 2.627 20 0 DFADRP C(CN1CCCC[C@@H]1c1noc(C2CC2)n1)[C@@H]1CCC[NH2+]C1 ZINC000643057522 430545767 /nfs/dbraw/zinc/54/57/67/430545767.db2.gz NGMZLWDOHKCLOR-DZGCQCFKSA-N 2 0 304.438 2.864 20 0 DFADRP COc1cccc(OCCN2CCCC[C@@H]2[C@H]2CCC[NH2+]2)c1 ZINC000643061699 430546414 /nfs/dbraw/zinc/54/64/14/430546414.db2.gz JGKWMSWGUAOZEB-QZTJIDSGSA-N 2 0 304.434 2.681 20 0 DFADRP CC(C)[C@H](CNC(=O)CCC1CC[NH2+]CC1)[NH+]1CCC(C)CC1 ZINC000236720309 277890348 /nfs/dbraw/zinc/89/03/48/277890348.db2.gz MGARESQXDLPWMC-SFHVURJKSA-N 2 0 323.525 2.639 20 0 DFADRP O[C@@H]1CC[N@H+](Cc2ccccc2C[NH2+][C@H]2CCC[C@H]3C[C@H]32)C1 ZINC000554714545 430649914 /nfs/dbraw/zinc/64/99/14/430649914.db2.gz BYWKFWWZUNOURA-PIKADFDJSA-N 2 0 300.446 2.531 20 0 DFADRP CC[NH+](CC)Cc1ccc(C(=O)NCC[N@@H+]2CC[C@@H](C)C2)cc1 ZINC000554800616 430652125 /nfs/dbraw/zinc/65/21/25/430652125.db2.gz WVMHTUZHTZXUJE-MRXNPFEDSA-N 2 0 317.477 2.600 20 0 DFADRP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@@H+]2C[C@@H]1CCC2(CCCC2)O1 ZINC000554825761 430652805 /nfs/dbraw/zinc/65/28/05/430652805.db2.gz ZLJYGRLVHUVXIK-XDNAFOTISA-N 2 0 322.493 2.662 20 0 DFADRP COc1nc2ccccc2cc1C[N@@H+]1CC[C@@H](c2nccn2C)C1 ZINC000554881423 430654696 /nfs/dbraw/zinc/65/46/96/430654696.db2.gz YRNJFHFSCLPQGJ-OAHLLOKOSA-N 2 0 322.412 2.966 20 0 DFADRP COc1nc2ccccc2cc1C[N@@H+]1CC[C@H](c2nccn2C)C1 ZINC000554881422 430654851 /nfs/dbraw/zinc/65/48/51/430654851.db2.gz YRNJFHFSCLPQGJ-HNNXBMFYSA-N 2 0 322.412 2.966 20 0 DFADRP C[C@@H](NC(=O)[C@@H](C)N(C)C[C@H]1CCC[N@H+](C)C1)c1ccccc1 ZINC000639494389 430655380 /nfs/dbraw/zinc/65/53/80/430655380.db2.gz KHEXEZSKOXIYOP-ZACQAIPSSA-N 2 0 317.477 2.526 20 0 DFADRP C[N@H+](CC1CC1)C[C@H]1CC[NH+](Cc2cccc3c2CCOC3)C1 ZINC000639507594 430658255 /nfs/dbraw/zinc/65/82/55/430658255.db2.gz IKSMMSWDGIOOQK-QGZVFWFLSA-N 2 0 314.473 2.923 20 0 DFADRP Cn1ccnc1[C@H]([NH2+]C1CCC(C[NH3+])CC1)c1ccc(F)cc1 ZINC000571872555 430658450 /nfs/dbraw/zinc/65/84/50/430658450.db2.gz PWNUCMMOJGAZPA-QWFMPGPPSA-N 2 0 316.424 2.756 20 0 DFADRP Fc1ccc(N2CC[C@@H](C[NH2+][C@@H]3CCC[NH2+]CC3)C2)cc1F ZINC000643453139 430602623 /nfs/dbraw/zinc/60/26/23/430602623.db2.gz JJYWIVHZIKKEAB-UONOGXRCSA-N 2 0 309.404 2.523 20 0 DFADRP CO[C@H](C[NH2+][C@H]1CCCN2CCCC[C@H]12)Cc1ccccc1 ZINC000639303869 430602701 /nfs/dbraw/zinc/60/27/01/430602701.db2.gz WDGGQEISDFEFMV-GBESFXJTSA-N 2 0 302.462 2.851 20 0 DFADRP COc1cccc2c1OC[C@H]([NH2+][C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1)C2 ZINC000643451967 430603032 /nfs/dbraw/zinc/60/30/32/430603032.db2.gz GEEKFZRNZBQJCJ-LTIDMASMSA-N 2 0 316.445 2.509 20 0 DFADRP C[C@H](NC[C@H]1CCC[N@H+](Cc2ccccc2)C1)[C@H]1CCC[NH2+]C1 ZINC000643457652 430603706 /nfs/dbraw/zinc/60/37/06/430603706.db2.gz UPSPIDAPJPWDFZ-SXLOBPIMSA-N 2 0 315.505 2.876 20 0 DFADRP C[C@H]([NH2+][C@H]1CCN(c2ccc(F)cc2F)C1)[C@H]1CCC[NH2+]C1 ZINC000643462967 430604110 /nfs/dbraw/zinc/60/41/10/430604110.db2.gz UQHFBPUKQPDTNG-YDHLFZDLSA-N 2 0 309.404 2.521 20 0 DFADRP FC(F)CN1CCC([NH2+][C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)CC1 ZINC000643460012 430604145 /nfs/dbraw/zinc/60/41/45/430604145.db2.gz HMPBMXUFKVYJOV-HRCADAONSA-N 2 0 315.452 2.616 20 0 DFADRP C[C@H](C[C@@H]1CCOC1)[NH2+][C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000643462037 430604212 /nfs/dbraw/zinc/60/42/12/430604212.db2.gz ZXXRAWFZVZJWAC-LORHWOILSA-N 2 0 316.445 2.647 20 0 DFADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]C[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000643457669 430604803 /nfs/dbraw/zinc/60/48/03/430604803.db2.gz WHZUABUHSHFPOR-HOJAQTOUSA-N 3 0 315.505 2.876 20 0 DFADRP CCC[C@H](C[NH2+]CC1CC[NH+](Cc2ccncc2)CC1)OC ZINC000639311337 430605426 /nfs/dbraw/zinc/60/54/26/430605426.db2.gz LXRLIICYWYMMHZ-GOSISDBHSA-N 2 0 305.466 2.698 20 0 DFADRP Cc1ccc(C[NH2+][C@@H]2CCCC[C@@H]2C[NH3+])c(N2CCCC2)n1 ZINC000643471256 430605675 /nfs/dbraw/zinc/60/56/75/430605675.db2.gz KRTYHTXWVMTSPX-NVXWUHKLSA-N 2 0 302.466 2.597 20 0 DFADRP CO[C@](C)(C[NH2+]CC1CC[NH+](Cc2ccncc2)CC1)C1CC1 ZINC000639310385 430606078 /nfs/dbraw/zinc/60/60/78/430606078.db2.gz GTCASGGCCYMIGK-LJQANCHMSA-N 2 0 317.477 2.698 20 0 DFADRP COCC1(C[NH2+]CC2CC[NH+](Cc3ccncc3)CC2)CCC1 ZINC000639311363 430606606 /nfs/dbraw/zinc/60/66/06/430606606.db2.gz MQUYBSHKRLLRQM-UHFFFAOYSA-N 2 0 317.477 2.700 20 0 DFADRP CCOc1ccc2c(c1)[C@H]([NH2+][C@H]1CC[NH2+]CC[C@H]1C)CCO2 ZINC000643482488 430606699 /nfs/dbraw/zinc/60/66/99/430606699.db2.gz RGPJBDSLGSFHQA-XOKHGSTOSA-N 2 0 304.434 2.887 20 0 DFADRP C[C@@H]([NH2+]CC1([NH3+])CCCCCC1)c1cccc(-n2ccnn2)c1 ZINC000643498688 430608090 /nfs/dbraw/zinc/60/80/90/430608090.db2.gz BAWHOYHLRGCQCN-OAHLLOKOSA-N 2 0 313.449 2.970 20 0 DFADRP C[C@@H]([NH3+])c1ccc(C[NH2+][C@H](C)c2cccc(-n3cnnn3)c2)cc1 ZINC000643513901 430611914 /nfs/dbraw/zinc/61/19/14/430611914.db2.gz IUWRRSIVZXUCNZ-ZIAGYGMSSA-N 2 0 322.416 2.533 20 0 DFADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+][C@@H]1CC(C)(C)Oc2ccc(N)cc21 ZINC000643533018 430612523 /nfs/dbraw/zinc/61/25/23/430612523.db2.gz MTPHKYHBKOXPCM-UHOFOFEASA-N 2 0 303.450 2.849 20 0 DFADRP COCCOc1ccc([C@H](C)[NH2+][C@@H]2CC23CC[NH2+]CC3)cc1 ZINC000643534544 430613105 /nfs/dbraw/zinc/61/31/05/430613105.db2.gz XPCUTSMRKNVZHG-WMLDXEAASA-N 2 0 304.434 2.505 20 0 DFADRP C[C@H]([NH2+][C@@H]1CC12CC[NH2+]CC2)c1ncc(Br)s1 ZINC000643534748 430613501 /nfs/dbraw/zinc/61/35/01/430613501.db2.gz BQQJCXIKIGPWQO-DTWKUNHWSA-N 2 0 316.268 2.698 20 0 DFADRP CC[C@H]([NH2+][C@@H]1CC12CC[NH2+]CC2)c1ccc(OC)c(OC)c1 ZINC000643534028 430613570 /nfs/dbraw/zinc/61/35/70/430613570.db2.gz JWRRKBMMQQNYSV-WMLDXEAASA-N 2 0 304.434 2.887 20 0 DFADRP COc1cc(C)c([C@H](C)[NH2+][C@@H]2CC23CC[NH2+]CC3)cc1OC ZINC000643533817 430613637 /nfs/dbraw/zinc/61/36/37/430613637.db2.gz FNBCXCHXEKYLPG-SUMWQHHRSA-N 2 0 304.434 2.805 20 0 DFADRP COc1ccc([C@H](C)[C@H](C)[NH2+][C@H]2CC23CC[NH2+]CC3)cc1OC ZINC000643535730 430614692 /nfs/dbraw/zinc/61/46/92/430614692.db2.gz ICSVGRPBVOLVTM-GLJUWKHASA-N 2 0 318.461 2.928 20 0 DFADRP Cc1cccc(NC(=O)C[C@H](C)[NH2+][C@@H]2CC[NH2+]C3(CCC3)C2)c1 ZINC000643546849 430615385 /nfs/dbraw/zinc/61/53/85/430615385.db2.gz VWHSGNCDPRQBMS-DOTOQJQBSA-N 2 0 315.461 2.976 20 0 DFADRP C[C@@H]([NH2+][C@H]1CC[NH2+]C2(CCC2)C1)c1ccccc1-n1ccnn1 ZINC000643547628 430615572 /nfs/dbraw/zinc/61/55/72/430615572.db2.gz IOHBHTRXLOKOBG-CABCVRRESA-N 2 0 311.433 2.593 20 0 DFADRP C[N@@H+]1CCCC[C@H](CNCc2ccccc2OCCCCO)C1 ZINC000639346576 430617656 /nfs/dbraw/zinc/61/76/56/430617656.db2.gz GPIZWJBYFMVAPU-QGZVFWFLSA-N 2 0 320.477 2.659 20 0 DFADRP CCCc1ccc(C[NH2+][C@@H]2CCC[C@@H]2N2CC[C@@H](O)C2)s1 ZINC000639373863 430625309 /nfs/dbraw/zinc/62/53/09/430625309.db2.gz WQQTVVPNRVLGMP-XYPHTWIQSA-N 2 0 308.491 2.778 20 0 DFADRP C[C@H]([NH2+]C(C)(C)CNC(=O)C[N@@H+]1CC[C@H](C)C1)c1ccccc1 ZINC000571461808 430628957 /nfs/dbraw/zinc/62/89/57/430628957.db2.gz JBZMWLCWRFFLLQ-HOTGVXAUSA-N 2 0 317.477 2.574 20 0 DFADRP COC[C@H](C)C[N@@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000571448221 430629142 /nfs/dbraw/zinc/62/91/42/430629142.db2.gz XKUDGRBWYWSKGZ-IEBWSBKVSA-N 2 0 302.462 2.867 20 0 DFADRP c1cc(C[NH2+]C2CCN(c3cc[nH+]cc3)CC2)c2c(c1)COCC2 ZINC000639387468 430631293 /nfs/dbraw/zinc/63/12/93/430631293.db2.gz RTSXHLBENSKUFK-UHFFFAOYSA-N 2 0 323.440 2.913 20 0 DFADRP Cc1c(Cl)cccc1NC(=O)CC[NH2+][C@H]1CC[NH2+]CC[C@@H]1C ZINC000571514211 430632463 /nfs/dbraw/zinc/63/24/63/430632463.db2.gz AEBPMFVEQXSSQZ-WFASDCNBSA-N 2 0 323.868 2.955 20 0 DFADRP CC[NH+]1CCC(NC(=O)C[N@@H+]2CC[C@H](C(C)(C)C)C[C@H]2C)CC1 ZINC000554310928 430633328 /nfs/dbraw/zinc/63/33/28/430633328.db2.gz UPRIWKPFNPLSHP-CVEARBPZSA-N 2 0 323.525 2.734 20 0 DFADRP CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)CCCC[NH+](C)C)C1 ZINC000554427909 430636275 /nfs/dbraw/zinc/63/62/75/430636275.db2.gz XYEZWWOWAXTCHO-MRXNPFEDSA-N 2 0 311.514 2.735 20 0 DFADRP CCc1nccn1[C@@H]1CCCN(Cc2nc(CC3CC3)no2)C1 ZINC000639480011 430649547 /nfs/dbraw/zinc/64/95/47/430649547.db2.gz AOPGTEGBJLKWCH-CQSZACIVSA-N 2 0 315.421 2.618 20 0 DFADRP C[C@@H](c1ccccc1)[C@@H](O)C[NH2+]C1CC[NH+](C2CCC2)CC1 ZINC000572028541 430668089 /nfs/dbraw/zinc/66/80/89/430668089.db2.gz BYFUNOUUMYEXDM-KXBFYZLASA-N 2 0 302.462 2.758 20 0 DFADRP COc1ccc(CC[C@H](C)[NH2+]C[C@H]2CCC[N@H+](C)C2)cc1O ZINC000572094826 430671119 /nfs/dbraw/zinc/67/11/19/430671119.db2.gz MKUSUHLCGXZSIJ-GOEBONIOSA-N 2 0 306.450 2.653 20 0 DFADRP C[C@H]1OCC[C@H]1C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000639589042 430677716 /nfs/dbraw/zinc/67/77/16/430677716.db2.gz IRSLIDMAAVUSTD-FPAYPSAMSA-N 2 0 302.462 2.912 20 0 DFADRP C[C@H]([NH2+][C@H]1CCCN(Cc2ccccc2)C1)[C@H]1CCC[NH2+]C1 ZINC000572257768 430678645 /nfs/dbraw/zinc/67/86/45/430678645.db2.gz QIFDNGALBSHFFO-WDSOQIARSA-N 2 0 301.478 2.629 20 0 DFADRP C[C@@H]1C[C@H]([NH2+]CC2(c3ccccc3)CCOCC2)CC[N@@H+]1C ZINC000153582383 278025136 /nfs/dbraw/zinc/02/51/36/278025136.db2.gz RQWLUOJBGANLOK-SJLPKXTDSA-N 2 0 302.462 2.807 20 0 DFADRP Cc1ccc(C[N@@H+]2CC[C@@]3(C2)CCC[NH2+]C3)c(-c2ccnn2C)c1 ZINC000572483316 430688185 /nfs/dbraw/zinc/68/81/85/430688185.db2.gz YTJTYSARDBVPBE-FQEVSTJZSA-N 2 0 324.472 2.971 20 0 DFADRP CSC1(C[NH2+][C@H](C)C2CCSCC2)CC[NH+](C)CC1 ZINC000353665457 278126172 /nfs/dbraw/zinc/12/61/72/278126172.db2.gz ZMLCNNYNONIXQD-CYBMUJFWSA-N 2 0 302.553 2.935 20 0 DFADRP C[C@@H](C(=O)NC1CCCCC1)[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000171389345 278206208 /nfs/dbraw/zinc/20/62/08/278206208.db2.gz QKNXDDWZBIBZMW-INIZCTEOSA-N 2 0 321.509 2.632 20 0 DFADRP C[C@H](C[NH2+][C@H]1c2cccc(F)c2CC[C@H]1C)N1CC[NH+](C)CC1 ZINC000127347254 278211315 /nfs/dbraw/zinc/21/13/15/278211315.db2.gz LGQMDDPQLJBXPB-SPYBWZPUSA-N 2 0 319.468 2.675 20 0 DFADRP C[C@@H](CN1CC[NH+](C)CC1)[NH2+][C@H]1C[C@H](c2ccccc2)C1(C)C ZINC000123205006 278261210 /nfs/dbraw/zinc/26/12/10/278261210.db2.gz MYQUALXTNWOYHQ-UHOSZYNNSA-N 2 0 315.505 2.794 20 0 DFADRP C[C@@H](CN1CC[NH+](C)CC1)[NH2+][C@H]1CC[C@H](C)c2ccccc21 ZINC000155062224 278261252 /nfs/dbraw/zinc/26/12/52/278261252.db2.gz HMHQSZVHFHFYHA-BXWFABGCSA-N 2 0 301.478 2.851 20 0 DFADRP Cc1ccc2[nH]c3c(c2c1)CCC[C@H]3[NH2+]C[C@]1(O)CCN(C)C1 ZINC000572678022 430694255 /nfs/dbraw/zinc/69/42/55/430694255.db2.gz FSYAPOYWTRDCDH-IEBWSBKVSA-N 2 0 313.445 2.510 20 0 DFADRP CC(C)(C[NH2+][C@@H]1CCC[C@H]([NH3+])C1)c1ccc2c(c1)OCCO2 ZINC000572662485 430694328 /nfs/dbraw/zinc/69/43/28/430694328.db2.gz NSMAZHVIQNZDRL-LSDHHAIUSA-N 2 0 304.434 2.595 20 0 DFADRP C[C@H]([NH2+][C@H]1CCOC[C@H]1C)c1cccc(OCC[NH+](C)C)c1 ZINC000278438155 278283587 /nfs/dbraw/zinc/28/35/87/278283587.db2.gz HJFHBUHGWARHAN-VKJFTORMSA-N 2 0 306.450 2.703 20 0 DFADRP c1cc2c(cc1C[N@@H+]1CC[C@H](C3CCOCC3)C1)C[NH2+]CC2 ZINC000572772747 430696915 /nfs/dbraw/zinc/69/69/15/430696915.db2.gz MTRFRRYYOFZBKM-SFHVURJKSA-N 2 0 300.446 2.581 20 0 DFADRP c1c2c(cc3c1OCCC[C@@H]3[NH2+]CC1CC[NH2+]CC1)CCC2 ZINC000572832651 430697003 /nfs/dbraw/zinc/69/70/03/430697003.db2.gz UVPOZCDKIGMQLT-SFHVURJKSA-N 2 0 300.446 2.978 20 0 DFADRP CC1(C)C[C@@H]([NH2+]CCC[N@@H+]2CCC[C@@H](C(N)=O)C2)C(C)(C)O1 ZINC000330670443 278369011 /nfs/dbraw/zinc/36/90/11/278369011.db2.gz DJPOCMGGQYJIRJ-ZIAGYGMSSA-N 2 0 311.470 2.559 20 0 DFADRP CC1(C[NH2+]CCCC[NH+]2CCN(c3ccccc3)CC2)CC1 ZINC000573058169 430699346 /nfs/dbraw/zinc/69/93/46/430699346.db2.gz MUIJHOZEUITRDE-UHFFFAOYSA-N 2 0 301.478 2.979 20 0 DFADRP C[NH+](C)CCC[C@@H]1CN(c2cc[nH+]c3cc(F)ccc32)CCO1 ZINC000664655179 430716361 /nfs/dbraw/zinc/71/63/61/430716361.db2.gz ZYDGMJCRCAJAJO-OAHLLOKOSA-N 2 0 317.408 2.921 20 0 DFADRP CC(C)CCn1cccc1C[NH2+]C1CCN([C@@H]2CCOC2)CC1 ZINC000657751882 430725258 /nfs/dbraw/zinc/72/52/58/430725258.db2.gz VEIQNKRJBFPVJR-LJQANCHMSA-N 2 0 319.493 2.877 20 0 DFADRP Cc1ccc(C[NH2+]C2CCN([C@@H]3CCOC3)CC2)cc1Cl ZINC000657752851 430725702 /nfs/dbraw/zinc/72/57/02/430725702.db2.gz SQEPIGZHXULBCF-MRXNPFEDSA-N 2 0 308.853 2.991 20 0 DFADRP Fc1ccc(/C=C\C[NH2+]C2CCN([C@H]3CCOC3)CC2)cc1 ZINC000657752352 430726089 /nfs/dbraw/zinc/72/60/89/430726089.db2.gz YUXWQOIFCJUYHR-LPQSXRFUSA-N 2 0 304.409 2.682 20 0 DFADRP c1cc2cnccc2c(C[NH2+]C2CCN([C@H]3CCOC3)CC2)c1 ZINC000657752786 430726676 /nfs/dbraw/zinc/72/66/76/430726676.db2.gz RENLEBPLCZVPBG-SFHVURJKSA-N 2 0 311.429 2.578 20 0 DFADRP Cc1ccc(NC(=O)CC[NH2+]CCCCC[NH+]2CCCC2)nc1 ZINC000644654409 430781153 /nfs/dbraw/zinc/78/11/53/430781153.db2.gz JZIKEMMEZAMTBL-UHFFFAOYSA-N 2 0 318.465 2.574 20 0 DFADRP c1ccc2c(c1)CCC([NH2+]CCCC[NH+]1CCOCC1)CC2 ZINC000651190018 430731248 /nfs/dbraw/zinc/73/12/48/430731248.db2.gz QUUUATNRHKKNBC-UHFFFAOYSA-N 2 0 302.462 2.636 20 0 DFADRP COC[C@H](C)[NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CC12CCC2 ZINC000657774573 430731306 /nfs/dbraw/zinc/73/13/06/430731306.db2.gz ZSASIOYOVXPVBE-FUHWJXTLSA-N 2 0 302.462 2.913 20 0 DFADRP c1ccc(C[N@H+]2C[C@@H](C[NH2+][C@H]3CCOC3)C3(CCC3)C2)cc1 ZINC000657773378 430732883 /nfs/dbraw/zinc/73/28/83/430732883.db2.gz RDABJMFOUUBHTD-MSOLQXFVSA-N 2 0 300.446 2.667 20 0 DFADRP c1cc2n(n1)CCC[C@H]2[NH2+]C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000657997275 430784142 /nfs/dbraw/zinc/78/41/42/430784142.db2.gz ARMLHABBUZKWIM-QZTJIDSGSA-N 2 0 310.445 2.830 20 0 DFADRP CC(C)[NH+]1CCN(CCC[N@@H+]2CC[C@H]2c2ccc(F)cc2)CC1 ZINC000661507684 430742125 /nfs/dbraw/zinc/74/21/25/430742125.db2.gz ATAVPFMLWFQZSW-IBGZPJMESA-N 2 0 319.468 2.989 20 0 DFADRP CC1CC[NH+](CCCC[NH2+]C[C@H](O)Cc2ccccc2)CC1 ZINC000644522469 430743303 /nfs/dbraw/zinc/74/33/03/430743303.db2.gz BDMGYFOULMAZCQ-LJQANCHMSA-N 2 0 304.478 2.692 20 0 DFADRP CN1CCC[C@H]([NH2+][C@@H](C[C@H]2CCOC2)c2ccc(F)cc2)C1 ZINC000644533903 430746862 /nfs/dbraw/zinc/74/68/62/430746862.db2.gz PJYYCRNFPOKNLW-JLSDUUJJSA-N 2 0 306.425 2.977 20 0 DFADRP COC[C@@H](CC1CCOCC1)[NH2+]CCC[NH+]1CCC(C)CC1 ZINC000657824678 430746932 /nfs/dbraw/zinc/74/69/32/430746932.db2.gz SSUIJYYDYHCQHE-GOSISDBHSA-N 2 0 312.498 2.530 20 0 DFADRP Cc1cccn2cc(CC[NH2+][C@@H](Cn3cccn3)C(C)C)nc12 ZINC000651241179 430746969 /nfs/dbraw/zinc/74/69/69/430746969.db2.gz SXEDAMRXHUUUJX-KRWDZBQOSA-N 2 0 311.433 2.696 20 0 DFADRP C[C@@H](Cc1cnccn1)[NH2+][C@H](Cc1nccn1C)c1ccccc1 ZINC000651238852 430747754 /nfs/dbraw/zinc/74/77/54/430747754.db2.gz MUHQVRAHNBQQQD-MAUKXSAKSA-N 2 0 321.428 2.715 20 0 DFADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+][C@@H]2[C@@H]3CCC[C@@H]3C2(C)C)CC1 ZINC000657870848 430757398 /nfs/dbraw/zinc/75/73/98/430757398.db2.gz QUBZDBIMWMHTMC-XWTMOSNGSA-N 2 0 307.526 2.674 20 0 DFADRP C[C@@H]([NH2+]CCCC[N@@H+]1CCC[C@@H]1CO)c1cc2cnccc2o1 ZINC000657882117 430760634 /nfs/dbraw/zinc/76/06/34/430760634.db2.gz XUJQKOANILJVSH-GDBMZVCRSA-N 2 0 317.433 2.715 20 0 DFADRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H]2CCCSCC2)[C@H](C)C1 ZINC000657884457 430761005 /nfs/dbraw/zinc/76/10/05/430761005.db2.gz ULFBYIWWZHYUHZ-ZACQAIPSSA-N 2 0 314.539 2.999 20 0 DFADRP CC1(C)[C@H]([NH2+]C2CC[NH+](C[C@@H]3CCOC3)CC2)[C@@H]2CCC[C@@H]21 ZINC000657890663 430761586 /nfs/dbraw/zinc/76/15/86/430761586.db2.gz LUXLLMAVXIXRRB-XOYOTBSWSA-N 2 0 306.494 2.902 20 0 DFADRP CCO[C@@H](CC[NH+](C)C)C[NH2+][C@H](C)c1cc2cnccc2o1 ZINC000657901292 430762913 /nfs/dbraw/zinc/76/29/13/430762913.db2.gz BHTHXBGMBSMLSW-HIFRSBDPSA-N 2 0 305.422 2.835 20 0 DFADRP COC[C@H](CC1CCOCC1)[NH2+]CC[C@H](C)[NH+]1CCCCC1 ZINC000657972403 430779118 /nfs/dbraw/zinc/77/91/18/430779118.db2.gz GEXWMHGJXIVROV-WMZOPIPTSA-N 2 0 312.498 2.672 20 0 DFADRP C[NH+]1CCN(C(C)(C)C[NH2+][C@@H]2CCCc3ccccc3C2)CC1 ZINC000648416085 430779511 /nfs/dbraw/zinc/77/95/11/430779511.db2.gz NTDKGTPTVLTEIZ-LJQANCHMSA-N 2 0 315.505 2.550 20 0 DFADRP Cc1cc(C[NH+]2CCC(C[NH+]3CCCCCC3)CC2)ncn1 ZINC000644656760 430780798 /nfs/dbraw/zinc/78/07/98/430780798.db2.gz QOQRVMFBYFBZNR-UHFFFAOYSA-N 2 0 302.466 2.873 20 0 DFADRP C[C@@H]([NH2+][C@@H](C)CN(C)CCC[NH+](C)C)c1cccc(F)c1F ZINC000658105527 430813378 /nfs/dbraw/zinc/81/33/78/430813378.db2.gz AVAUAZKGCJVBBZ-UONOGXRCSA-N 2 0 313.436 2.887 20 0 DFADRP C[C@H](Cc1ccccc1F)[NH2+][C@@H](C)CN(C)CCC[NH+](C)C ZINC000658105661 430813512 /nfs/dbraw/zinc/81/35/12/430813512.db2.gz CFUISBNINKHCMA-CVEARBPZSA-N 2 0 309.473 2.618 20 0 DFADRP C[C@@H](CCN1CC[NH+](C)CC1)[NH2+][C@H]1CCCc2ccccc2C1 ZINC000648526160 430813992 /nfs/dbraw/zinc/81/39/92/430813992.db2.gz WESDUHKOSAHIOM-PXNSSMCTSA-N 2 0 315.505 2.550 20 0 DFADRP COc1ccc([C@@H](C)[NH2+][C@@H](C)CN(C)CCC[NH+](C)C)c(C)c1 ZINC000658109787 430814511 /nfs/dbraw/zinc/81/45/11/430814511.db2.gz XMMBHMQDGYJEPJ-DLBZAZTESA-N 2 0 321.509 2.926 20 0 DFADRP C[C@H]([NH2+]Cc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1)c1ccoc1 ZINC000658136117 430820220 /nfs/dbraw/zinc/82/02/20/430820220.db2.gz BQSMKLDTZIAQDN-KBXCAEBGSA-N 2 0 300.402 2.697 20 0 DFADRP O[C@H]1CC[N@H+](Cc2ccc(C[NH2+][C@H]3CCC34CCC4)cc2)C1 ZINC000658136530 430820574 /nfs/dbraw/zinc/82/05/74/430820574.db2.gz HKEPRKREIOWQED-ROUUACIJSA-N 2 0 300.446 2.676 20 0 DFADRP CC1CC[NH+](CCC[NH2+][C@@H]2CCO[C@H](C(F)(F)F)C2)CC1 ZINC000314774014 278540187 /nfs/dbraw/zinc/54/01/87/278540187.db2.gz KBDGGSNTPAOJGF-KGLIPLIRSA-N 2 0 308.388 2.808 20 0 DFADRP C[C@H]([NH2+]Cc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1)c1ccco1 ZINC000658147353 430824982 /nfs/dbraw/zinc/82/49/82/430824982.db2.gz ZGGPWKKUNODPLF-WMLDXEAASA-N 2 0 300.402 2.697 20 0 DFADRP C[C@H]([NH2+]Cc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1)c1ccco1 ZINC000658147354 430826474 /nfs/dbraw/zinc/82/64/74/430826474.db2.gz ZGGPWKKUNODPLF-YOEHRIQHSA-N 2 0 300.402 2.697 20 0 DFADRP CCO[C@H]1C[C@H]([NH2+][C@@H](C)c2cccc(OCC[NH+](C)C)c2)C1 ZINC000658165021 430830970 /nfs/dbraw/zinc/83/09/70/430830970.db2.gz ZCMNXHXZULOESQ-ZVZYQTTQSA-N 2 0 306.450 2.845 20 0 DFADRP COC(C)(C)[C@H](C)[NH2+]CC1CC[NH+](Cc2ccncc2)CC1 ZINC000658164378 430831698 /nfs/dbraw/zinc/83/16/98/430831698.db2.gz CTDWBMGPUTZFSB-HNNXBMFYSA-N 2 0 305.466 2.697 20 0 DFADRP CCC(C)(C)[NH2+][C@H](C)C(=O)NC[C@H](c1ccc(F)cc1)[NH+](C)C ZINC000273222504 278580294 /nfs/dbraw/zinc/58/02/94/278580294.db2.gz PLEPGCIDEHYFFK-CZUORRHYSA-N 2 0 323.456 2.711 20 0 DFADRP C[C@@H]([NH2+]Cc1c(F)cccc1-n1cccn1)C1CC[NH+](C)CC1 ZINC000651467871 430802560 /nfs/dbraw/zinc/80/25/60/430802560.db2.gz KJRUFUWORHNBKZ-CQSZACIVSA-N 2 0 316.424 2.831 20 0 DFADRP CC(C)[C@H](C[NH2+]Cc1cccc2c1CCC2)N1CC[NH+](C)CC1 ZINC000651674063 430845789 /nfs/dbraw/zinc/84/57/89/430845789.db2.gz ARWZEFIOAVSTSM-FQEVSTJZSA-N 2 0 315.505 2.537 20 0 DFADRP CC[C@]1(C)CCC[C@H]1[NH2+]Cc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000651673575 430846093 /nfs/dbraw/zinc/84/60/93/430846093.db2.gz PEACFPWXOOIYNA-IEBWSBKVSA-N 2 0 316.493 2.892 20 0 DFADRP Cn1cc(C[C@H]2CCC[C@H]2[NH2+]C2CC[NH+](C(C)(C)C)CC2)cn1 ZINC000658236521 430846613 /nfs/dbraw/zinc/84/66/13/430846613.db2.gz SYAHXZNOGQXCKY-SJLPKXTDSA-N 2 0 318.509 2.984 20 0 DFADRP CC[C@@]1(C)CCC[C@H]1[NH2+]Cc1ccnc(N2CC[NH+](C)CC2)c1 ZINC000651678885 430848323 /nfs/dbraw/zinc/84/83/23/430848323.db2.gz HMHKHNYHDYSGBQ-MJGOQNOKSA-N 2 0 316.493 2.892 20 0 DFADRP C[C@H]1CCCCC[C@H]1[NH2+]Cc1cccnc1N1CC[NH+](C)CC1 ZINC000651692767 430851554 /nfs/dbraw/zinc/85/15/54/430851554.db2.gz QUNYSXYXRHEPNV-FUHWJXTLSA-N 2 0 316.493 2.892 20 0 DFADRP C[C@@H]1CCCCC[C@@H]1[NH2+]Cc1cccnc1N1CC[NH+](C)CC1 ZINC000651692766 430851791 /nfs/dbraw/zinc/85/17/91/430851791.db2.gz QUNYSXYXRHEPNV-AEFFLSMTSA-N 2 0 316.493 2.892 20 0 DFADRP C[C@H](c1ccc(Cl)cc1)[C@H](C)[NH2+]Cc1nc(C[NH3+])cc(=O)[nH]1 ZINC000665292486 430888976 /nfs/dbraw/zinc/88/89/76/430888976.db2.gz AVJWMGKCAKMCAG-QWRGUYRKSA-N 2 0 320.824 2.576 20 0 DFADRP C[C@H]([NH2+][C@@H]1C[C@@H](O)C12CCC2)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000658253137 430852274 /nfs/dbraw/zinc/85/22/74/430852274.db2.gz STKULDUGXHKSTQ-GDAAHCPNSA-N 2 0 314.473 2.790 20 0 DFADRP C[C@H]([NH2+][C@H]1C[C@@H](O)C12CCC2)c1ccc(OCC[NH+](C)C)cc1 ZINC000658250440 430853773 /nfs/dbraw/zinc/85/37/73/430853773.db2.gz FGHPSOLJEXLEGW-JCGIZDLHSA-N 2 0 318.461 2.581 20 0 DFADRP Cc1ccc(C[NH2+][C@H]2CCN(C3CC[NH+](C)CC3)C2)c(Cl)c1 ZINC000651709116 430856985 /nfs/dbraw/zinc/85/69/85/430856985.db2.gz KVJCJCKENXBPQS-INIZCTEOSA-N 2 0 321.896 2.907 20 0 DFADRP Cn1ncc(C2CCC2)c1C[NH2+][C@H]1CC[N@H+](C)[C@H]2CCC[C@@H]21 ZINC000658266232 430857564 /nfs/dbraw/zinc/85/75/64/430857564.db2.gz GMSYVRJHVSRYRK-PVAVHDDUSA-N 2 0 302.466 2.650 20 0 DFADRP Nc1cccc(C[NH2+][C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)c1 ZINC000665232195 430861714 /nfs/dbraw/zinc/86/17/14/430861714.db2.gz HUQXLUZGQUDGBF-HKUYNNGSSA-N 2 0 309.413 2.614 20 0 DFADRP COC1CC(CC[NH2+][C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)C1 ZINC000665230278 430862124 /nfs/dbraw/zinc/86/21/24/430862124.db2.gz LYJVJFCUGJGSJP-XVDPQKCLSA-N 2 0 316.445 2.647 20 0 DFADRP c1cc2cc(C[NH2+][C@@H]3CCOC[C@H]3[C@@H]3CCC[NH2+]3)ccc2o1 ZINC000665238133 430864790 /nfs/dbraw/zinc/86/47/90/430864790.db2.gz RGOQDYQAJVXJNY-YESZJQIVSA-N 2 0 300.402 2.680 20 0 DFADRP C[C@@H](CC(C)(C)O)[NH2+]Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000648715637 430865121 /nfs/dbraw/zinc/86/51/21/430865121.db2.gz ASXHFIWDWAMAEY-INIZCTEOSA-N 2 0 320.477 2.800 20 0 DFADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NCC1([NH3+])CCCC1 ZINC000665249577 430867520 /nfs/dbraw/zinc/86/75/20/430867520.db2.gz TTZZWCCVNZYFBY-SJLPKXTDSA-N 2 0 301.478 2.758 20 0 DFADRP C[C@H]([NH3+])[C@H]1COCC[C@H]1[NH2+]Cc1ccc(Cl)c(Cl)c1 ZINC000665265293 430873916 /nfs/dbraw/zinc/87/39/16/430873916.db2.gz UPJPAVQXMNNIFP-DRCTWCGVSA-N 2 0 303.233 2.835 20 0 DFADRP Clc1ccc(C[NH2+][C@@H](C2CC2)[C@H]2CNCCO2)cc1Cl ZINC000665265523 430875640 /nfs/dbraw/zinc/87/56/40/430875640.db2.gz XIXMGAJAAWCSFX-CABCVRRESA-N 2 0 315.244 2.850 20 0 DFADRP C[C@]1(C[NH2+][C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)CC1(F)F ZINC000665267525 430876761 /nfs/dbraw/zinc/87/67/61/430876761.db2.gz YHBWDPQQUXNEDS-IMJJTQAJSA-N 2 0 308.372 2.877 20 0 DFADRP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+][C@H]1COc2cc(F)ccc2C1 ZINC000665267014 430876828 /nfs/dbraw/zinc/87/68/28/430876828.db2.gz NVEQMNXVQHHDIM-MORSLUCNSA-N 2 0 314.404 2.677 20 0 DFADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+][C@@H](C)CN1CCC(C)CC1 ZINC000665273285 430878187 /nfs/dbraw/zinc/87/81/87/430878187.db2.gz SYNSVRUQVCAXNS-GJZGRUSLSA-N 2 0 304.482 2.620 20 0 DFADRP COc1ccc(C[C@@H](C)[NH2+]CC[C@@H]([NH3+])C(C)C)c(C)c1OC ZINC000665281510 430881733 /nfs/dbraw/zinc/88/17/33/430881733.db2.gz FLYCEBUPSICPNJ-CZUORRHYSA-N 2 0 308.466 2.906 20 0 DFADRP C[C@H]([NH2+]Cc1cccc2c1OC(F)(F)O2)C1CC[NH+](C)CC1 ZINC000658342066 430881832 /nfs/dbraw/zinc/88/18/32/430881832.db2.gz FQRTYFCNFKEQJK-NSHDSACASA-N 2 0 312.360 2.828 20 0 DFADRP CCc1nccn1[C@H](C)CC(=O)Nc1ccc2nc(C)cn2c1 ZINC000648760164 430883070 /nfs/dbraw/zinc/88/30/70/430883070.db2.gz JYOOHDWXPMJOIL-CYBMUJFWSA-N 2 0 311.389 2.991 20 0 DFADRP COc1cc([C@@H](C)[NH2+]CC2CC[NH+](CC3CC3)CC2)ccn1 ZINC000658353923 430883381 /nfs/dbraw/zinc/88/33/81/430883381.db2.gz UDKMWWPIPGWQKN-CQSZACIVSA-N 2 0 303.450 2.863 20 0 DFADRP C[NH2+]CCCC(=O)N1CCC([NH2+][C@H](C)CCC=C(C)C)CC1 ZINC000665285184 430884066 /nfs/dbraw/zinc/88/40/66/430884066.db2.gz GDEAKLSMJARSOQ-MRXNPFEDSA-N 2 0 309.498 2.702 20 0 DFADRP C[NH2+]CCCC(=O)N1CCC([NH2+][C@@H]2CCCC[C@@H]2C(C)C)CC1 ZINC000665287565 430885815 /nfs/dbraw/zinc/88/58/15/430885815.db2.gz OPBKYDQVVNZQSS-QZTJIDSGSA-N 2 0 323.525 2.781 20 0 DFADRP C[NH2+]CCCC(=O)N1CCC([NH2+][C@@H]2CCC[C@H](C(C)C)C2)CC1 ZINC000665289199 430886372 /nfs/dbraw/zinc/88/63/72/430886372.db2.gz IWQBRVYNFQFFJY-FUHWJXTLSA-N 2 0 323.525 2.781 20 0 DFADRP OC(C[NH+]1CC[C@H](C2CCC2)C1)C[N@@H+]1CC[C@H](C2CCC2)C1 ZINC000665288048 430887658 /nfs/dbraw/zinc/88/76/58/430887658.db2.gz BGMNQRDPDOMEGI-ROUUACIJSA-N 2 0 306.494 2.591 20 0 DFADRP CC[NH+](CC)CCO[C@H]1CC[N@H+](Cc2cc3cnccc3o2)C1 ZINC000651647605 430840315 /nfs/dbraw/zinc/84/03/15/430840315.db2.gz XGVSMVVIWMNZGH-INIZCTEOSA-N 2 0 317.433 2.761 20 0 DFADRP CC(C)(C[NH2+][C@@H]1CCOC[C@H]1[C@@H]1CCC[NH2+]1)CC(F)(F)F ZINC000665301496 430890894 /nfs/dbraw/zinc/89/08/94/430890894.db2.gz YVEVRJCERSJQKZ-RWMBFGLXSA-N 2 0 308.388 2.712 20 0 DFADRP CC(C)(C)CC(C)(C)[NH+]1CCC([NH2+][C@H]2C[C@@H](C(N)=O)C2)CC1 ZINC000651938825 430919233 /nfs/dbraw/zinc/91/92/33/430919233.db2.gz KDMMTHRJXCCDFX-OTVXOJSOSA-N 2 0 309.498 2.519 20 0 DFADRP CCC(CC)CCC[N@H+](C)CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000662036375 430930370 /nfs/dbraw/zinc/93/03/70/430930370.db2.gz CMJNYIONDJFMOD-UHFFFAOYSA-N 2 0 323.525 2.878 20 0 DFADRP C[NH2+]Cc1ccc(NC(=O)NC[C@H]2CC[N@@H+](C(C)(C)C)C2)cc1 ZINC000659023442 430943438 /nfs/dbraw/zinc/94/34/38/430943438.db2.gz WUKRWNMZIAIXSP-OAHLLOKOSA-N 2 0 318.465 2.648 20 0 DFADRP C[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+]CC[C@]2(O)CCCOC2)CC1 ZINC000652046210 430943866 /nfs/dbraw/zinc/94/38/66/430943866.db2.gz OWYYFDRFNXPCTK-BHIYHBOVSA-N 2 0 324.509 2.551 20 0 DFADRP C[NH2+]Cc1ccc(NC(=O)NC[C@@H]2CC[N@@H+](C(C)(C)C)C2)cc1 ZINC000659023441 430944881 /nfs/dbraw/zinc/94/48/81/430944881.db2.gz WUKRWNMZIAIXSP-HNNXBMFYSA-N 2 0 318.465 2.648 20 0 DFADRP C[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]CC[C@]2(O)CCCOC2)CC1 ZINC000652046212 430945082 /nfs/dbraw/zinc/94/50/82/430945082.db2.gz OWYYFDRFNXPCTK-NZSAHSFTSA-N 2 0 324.509 2.551 20 0 DFADRP O=C(N[C@@H]1CCC[N@@H+]2CCCC[C@H]12)[C@H]1CCC[NH+]1C1CCCC1 ZINC000655353281 430973090 /nfs/dbraw/zinc/97/30/90/430973090.db2.gz SLUVHIDUZWIBGP-KZNAEPCWSA-N 2 0 319.493 2.527 20 0 DFADRP O[C@H]1CC[N@@H+](C2CC[NH+](CC/C=C\c3ccccc3)CC2)C1 ZINC000662150306 430980624 /nfs/dbraw/zinc/98/06/24/430980624.db2.gz USILXXJXYCQFKP-KYLNKMBASA-N 2 0 300.446 2.621 20 0 DFADRP O[C@H]1CC[N@@H+](C2CCN(Cc3cc4ccccc4s3)CC2)C1 ZINC000662152222 430981583 /nfs/dbraw/zinc/98/15/83/430981583.db2.gz AFTGXQFCPNMTQR-INIZCTEOSA-N 2 0 316.470 2.932 20 0 DFADRP C[C@@H]1C[N@H+](C)CC[C@H]1NC[C@@H](C1CC1)[NH+](C)Cc1ccccc1 ZINC000360040342 288080093 /nfs/dbraw/zinc/08/00/93/288080093.db2.gz UHYJHXGWALZUCE-AHRSYUTCSA-N 2 0 315.505 2.827 20 0 DFADRP CN(c1nc(CN2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)cs1)C1CC1 ZINC000662265597 431022727 /nfs/dbraw/zinc/02/27/27/431022727.db2.gz RVORIHGVUQRMDT-CZUORRHYSA-N 2 0 320.506 2.706 20 0 DFADRP Cc1nn(C)cc1[C@H]1CCC[N@@H+]1Cc1ccc2c(c1)C[NH2+]CC2 ZINC000652339996 431025308 /nfs/dbraw/zinc/02/53/08/431025308.db2.gz WVCWMGKMEMKZIX-LJQANCHMSA-N 2 0 310.445 2.711 20 0 DFADRP C[NH+](C/C=C\C[N@@H+](C)CC1=CCSC1)CC1=CCSC1 ZINC000662266680 431025819 /nfs/dbraw/zinc/02/58/19/431025819.db2.gz KYVJHNOOOAXZQM-ARJAWSKDSA-N 2 0 310.532 2.753 20 0 DFADRP CC[C@@H]1CN2CCCC[C@H]2C[N@@H+]1Cc1ccc2c(c1)C[NH2+]CC2 ZINC000652339449 431026112 /nfs/dbraw/zinc/02/61/12/431026112.db2.gz VZNWDYJMAONKDE-UXHICEINSA-N 2 0 313.489 2.781 20 0 DFADRP c1ccc(COCC[N@@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)cc1 ZINC000662271991 431027203 /nfs/dbraw/zinc/02/72/03/431027203.db2.gz ASVAIIFLUFFOSG-RBUKOAKNSA-N 2 0 302.462 2.915 20 0 DFADRP CC(C)[NH2+]CC(=O)Nc1ccc(SCC[NH+]2CCCC2)cc1 ZINC000659329478 431028616 /nfs/dbraw/zinc/02/86/16/431028616.db2.gz VVRNYZDPCNJGLB-UHFFFAOYSA-N 2 0 321.490 2.811 20 0 DFADRP Cc1c(F)cccc1NC(=O)CC[N@H+]1CCC[C@@H](C)[C@H]1CC[NH3+] ZINC000652355200 431029370 /nfs/dbraw/zinc/02/93/70/431029370.db2.gz QVIJBIWHSWKVCY-CXAGYDPISA-N 2 0 321.440 2.912 20 0 DFADRP CC(C)N(C(=O)C[N@@H+]1CCC[C@@H](C)[C@H]1CC[NH3+])C1CCCC1 ZINC000652355055 431030378 /nfs/dbraw/zinc/03/03/78/431030378.db2.gz OCTMXKUPAMPTKD-NVXWUHKLSA-N 2 0 309.498 2.615 20 0 DFADRP [NH3+]CCC[N@@H+](Cc1cccc2c1CC[NH2+]C2)CC1CCCC1 ZINC000662273602 431031138 /nfs/dbraw/zinc/03/11/38/431031138.db2.gz PGWUSSXOJJRMHN-UHFFFAOYSA-N 3 0 301.478 2.673 20 0 DFADRP c1cc(C[N@@H+]2CCC[C@@H]2[C@@H]2CCCOC2)c2c(c1)C[NH2+]CC2 ZINC000662284635 431032412 /nfs/dbraw/zinc/03/24/12/431032412.db2.gz YNPPJHRJBXXPGJ-IEBWSBKVSA-N 2 0 300.446 2.723 20 0 DFADRP CO[C@H](C[NH+]1CCC([C@H]2OCCC[C@H]2[NH3+])CC1)c1ccccc1 ZINC000662282380 431032654 /nfs/dbraw/zinc/03/26/54/431032654.db2.gz UIYYZGYKVGZKNU-GUDVDZBRSA-N 2 0 318.461 2.592 20 0 DFADRP Cn1nccc1[C@H]1CCCC[N@@H+]1Cc1cccc2c1CC[NH2+]C2 ZINC000662279670 431032793 /nfs/dbraw/zinc/03/27/93/431032793.db2.gz AUMFVVOXYACANV-LJQANCHMSA-N 2 0 310.445 2.793 20 0 DFADRP CO[C@H](C[NH+]1CCC([C@H]2OCCC[C@H]2[NH3+])CC1)C1CCCCC1 ZINC000662281259 431032904 /nfs/dbraw/zinc/03/29/04/431032904.db2.gz LLKKSOMNBHDVPX-GUDVDZBRSA-N 2 0 324.509 2.800 20 0 DFADRP FC1(F)CCCC[C@H]1C[N@@H+]1CC2(CC[NH2+]CC2)[C@@H]2COC[C@@H]21 ZINC000662280395 431033398 /nfs/dbraw/zinc/03/33/98/431033398.db2.gz DBBSCMZRUVOXNW-ZNMIVQPWSA-N 2 0 314.420 2.512 20 0 DFADRP C[C@@H]1CC2(C[N@@H+]1Cc1csc(N(C)C3CC3)n1)CC[NH2+]CC2 ZINC000662283369 431033521 /nfs/dbraw/zinc/03/35/21/431033521.db2.gz MWXAVJIDIXRMHI-CYBMUJFWSA-N 2 0 320.506 2.706 20 0 DFADRP Fc1ccc(OCC[N@@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)cc1 ZINC000662292916 431034160 /nfs/dbraw/zinc/03/41/60/431034160.db2.gz BWKAGBBXICGZKY-MRXNPFEDSA-N 2 0 306.425 2.916 20 0 DFADRP CO[C@H](C[N@@H+]1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1)c1ccccc1 ZINC000662286207 431034902 /nfs/dbraw/zinc/03/49/02/431034902.db2.gz POYUNBFUUTWTOR-WJFTUGDTSA-N 2 0 318.461 2.592 20 0 DFADRP Fc1ccccc1OCC[NH+]1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000662290258 431036068 /nfs/dbraw/zinc/03/60/68/431036068.db2.gz OCEIPGHMXNHPFY-MRXNPFEDSA-N 2 0 306.425 2.916 20 0 DFADRP CO[C@H](C[N@@H+]1CCCC[C@@H]1[C@@H]1C[C@H]([NH3+])CCO1)c1ccccc1 ZINC000662285160 431036285 /nfs/dbraw/zinc/03/62/85/431036285.db2.gz YJEPTXIURBCANW-AKHDSKFASA-N 2 0 318.461 2.735 20 0 DFADRP C(c1noc2c1CCCC2)[N@@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662298965 431037246 /nfs/dbraw/zinc/03/72/46/431037246.db2.gz YVLZCVULDHUPJF-HNNXBMFYSA-N 2 0 303.450 2.765 20 0 DFADRP c1cc(CC[N@@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)cc2c1OCC2 ZINC000662295966 431038136 /nfs/dbraw/zinc/03/81/36/431038136.db2.gz JNFHEEVUYVZBPK-IBGZPJMESA-N 2 0 314.473 2.876 20 0 DFADRP [NH3+][C@@H]1CCc2ccccc2N(Cc2ccc3c(c2)C[NH2+]CC3)C1 ZINC000662300725 431039157 /nfs/dbraw/zinc/03/91/57/431039157.db2.gz HWYKJUJMFIYBAJ-LJQANCHMSA-N 2 0 307.441 2.612 20 0 DFADRP [NH3+][C@@H](Cc1ccccc1)[C@@H](O)C[N@@H+]1CC[C@H](C2CCCCC2)C1 ZINC000662305975 431040461 /nfs/dbraw/zinc/04/04/61/431040461.db2.gz MKSJXWXRMLXSMJ-UFYCRDLUSA-N 2 0 316.489 2.820 20 0 DFADRP C[C@@H]1CCC[N@@H+](CC(=O)N[C@H]2CCC[C@@H](C)[C@@H]2C)[C@@H]1CCC[NH3+] ZINC000662313702 431043822 /nfs/dbraw/zinc/04/38/22/431043822.db2.gz XLRGHKPQPWXCKV-DFBDCSAJSA-N 2 0 323.525 2.767 20 0 DFADRP COc1cccc(OCC[N@@H+]2CCC[C@@H](C)[C@H]2CCC[NH3+])c1 ZINC000662317274 431043899 /nfs/dbraw/zinc/04/38/99/431043899.db2.gz PMNLCPDOWNSJMJ-CRAIPNDOSA-N 2 0 306.450 2.913 20 0 DFADRP COc1ccc([C@@H](C[NH3+])C[N@@H+]2CCC[C@@H](C)[C@H]2CCC[NH3+])cc1 ZINC000662313981 431044035 /nfs/dbraw/zinc/04/40/35/431044035.db2.gz ARKIZAUNOGTLDJ-HHXXYDBFSA-N 3 0 319.493 2.577 20 0 DFADRP CO[C@@H](C[N@@H+]1CCO[C@H](CCC[NH+](C)C)C1)C1CCCCC1 ZINC000662325910 431045862 /nfs/dbraw/zinc/04/58/62/431045862.db2.gz LDWVDNIOHLUOSP-MSOLQXFVSA-N 2 0 312.498 2.624 20 0 DFADRP C[NH+](C)CCC[C@@H]1C[N@H+](C[C@@H]2CCc3ccccc3C2)CCO1 ZINC000662325878 431047255 /nfs/dbraw/zinc/04/72/55/431047255.db2.gz RWYBDMRUTFLBCU-YLJYHZDGSA-N 2 0 316.489 2.834 20 0 DFADRP C[C@@H]1[NH2+]CC[C@H]1C(=O)Nc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000645780465 431069981 /nfs/dbraw/zinc/06/99/81/431069981.db2.gz ROTKSLGQNMWYJC-MAUKXSAKSA-N 2 0 315.461 2.999 20 0 DFADRP C[C@H]1CCC[N@H+](Cc2ccc(NC(=O)[C@H]3C[C@@H]([NH3+])C3)cc2)C1 ZINC000649288295 431057166 /nfs/dbraw/zinc/05/71/66/431057166.db2.gz IZTORSVTYXIMIN-CWRNSKLLSA-N 2 0 301.434 2.594 20 0 DFADRP CC[NH+](CC)[C@@H](CNC(=O)CCC(C)(C)[NH3+])c1ccsc1 ZINC000649292477 431057749 /nfs/dbraw/zinc/05/77/49/431057749.db2.gz JGIHPMMSLCSXAE-AWEZNQCLSA-N 2 0 311.495 2.765 20 0 DFADRP C[N@H+](CCN1CCC[C@H]1[C@@H]1CCC[NH+]1C)Cc1ccccc1 ZINC000649296961 431060097 /nfs/dbraw/zinc/06/00/97/431060097.db2.gz VIHGIIDKFIERQZ-OALUTQOASA-N 2 0 301.478 2.677 20 0 DFADRP [NH3+]C[C@@H]1CCC[C@@H]1C(=O)Nc1ccc(CC[NH+]2CCCC2)cc1 ZINC000649305778 431062540 /nfs/dbraw/zinc/06/25/40/431062540.db2.gz ADOAMZJNISAUQZ-WMZOPIPTSA-N 2 0 315.461 2.638 20 0 DFADRP CC(C)[N@H+](C)Cc1cccc(CNC(=O)CCC(C)(C)[NH3+])c1 ZINC000649306921 431063443 /nfs/dbraw/zinc/06/34/43/431063443.db2.gz ZPCBAUBNSJUJBE-UHFFFAOYSA-N 2 0 305.466 2.661 20 0 DFADRP CC[C@H]([NH2+]C)C(=O)NCc1ccc(C[NH+]2CCC(C)CC2)cc1 ZINC000662375034 431064268 /nfs/dbraw/zinc/06/42/68/431064268.db2.gz QADWHGLRKVPKRW-SFHVURJKSA-N 2 0 317.477 2.533 20 0 DFADRP C[C@H]([NH2+]C(C)(C)CNC(=O)[C@H]1CCC[C@H]1C[NH3+])c1ccccc1 ZINC000649322223 431067497 /nfs/dbraw/zinc/06/74/97/431067497.db2.gz GRFZGQZYYOCLSK-XIRDDKMYSA-N 2 0 317.477 2.607 20 0 DFADRP CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)C2CCC([NH3+])CC2)C1 ZINC000649331820 431067510 /nfs/dbraw/zinc/06/75/10/431067510.db2.gz YVCXMPGPSXZUKI-FHERZECASA-N 2 0 309.498 2.521 20 0 DFADRP CC[NH+](CC)[C@H](C)CNC(=O)c1ccc2c(c1)[C@H](C[NH3+])CCC2 ZINC000662384536 431067675 /nfs/dbraw/zinc/06/76/75/431067675.db2.gz YPHQNQIMMRBYDW-PBHICJAKSA-N 2 0 317.477 2.525 20 0 DFADRP C[C@@H](c1cc2ccccc2o1)[N@H+](C)C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662249022 431013282 /nfs/dbraw/zinc/01/32/82/431013282.db2.gz NJVKTWBJWXJDPF-ZFWWWQNUSA-N 2 0 300.402 2.947 20 0 DFADRP CCc1ccc(C[N@H+](C[C@@H]2CCC3(C[NH2+]C3)O2)C2CC2)cc1 ZINC000662250972 431015022 /nfs/dbraw/zinc/01/50/22/431015022.db2.gz UMDAQRBWHRXOKK-SFHVURJKSA-N 2 0 300.446 2.734 20 0 DFADRP CCO[C@@H]1C[C@H]([N@H+](C)C[C@H]2CCC3(C[NH2+]C3)O2)C12CCCCC2 ZINC000662255718 431015051 /nfs/dbraw/zinc/01/50/51/431015051.db2.gz DPZQMHRLBWTBNX-IXDOHACOSA-N 2 0 322.493 2.567 20 0 DFADRP Clc1ccc([C@@H]2CCC[N@@H+]2C[C@H]2CCC3(C[NH2+]C3)O2)cc1 ZINC000662251136 431015551 /nfs/dbraw/zinc/01/55/51/431015551.db2.gz ZVFMXXXNLQINFA-CVEARBPZSA-N 2 0 306.837 2.998 20 0 DFADRP C[C@@]1(CCc2ccccc2)CC[N@H+](C[C@@H]2CCC3(C[NH2+]C3)O2)C1 ZINC000662257833 431017975 /nfs/dbraw/zinc/01/79/75/431017975.db2.gz RMGFDLPMXOZMES-RBUKOAKNSA-N 2 0 314.473 2.852 20 0 DFADRP CC[NH2+]Cc1ccccc1NC(=O)C[C@@H]1[NH2+]Cc2ccccc21 ZINC000659302298 431018265 /nfs/dbraw/zinc/01/82/65/431018265.db2.gz DNTPNMRDECIJDQ-SFHVURJKSA-N 2 0 309.413 2.969 20 0 DFADRP COc1ccccc1[C@@H]1CCCC[N@@H+]1C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662258508 431019044 /nfs/dbraw/zinc/01/90/44/431019044.db2.gz VOALQPCFQNFXJG-WBVHZDCISA-N 2 0 316.445 2.743 20 0 DFADRP Cc1nn(-c2ccccc2F)cc1C[NH2+]CC1=CC[N@H+](C)CC1 ZINC000655756687 431116425 /nfs/dbraw/zinc/11/64/25/431116425.db2.gz WAFAOEXUZPQEPP-UHFFFAOYSA-N 2 0 314.408 2.671 20 0 DFADRP C[N@@H+]1CCC[C@@H]1[C@H]1CCCN1C(=O)CC[C@H]([NH3+])c1ccccc1 ZINC000645941456 431123922 /nfs/dbraw/zinc/12/39/22/431123922.db2.gz NDGMSRPRJOXKII-RCCFBDPRSA-N 2 0 315.461 2.552 20 0 DFADRP C[N@@H+]1CCC[C@H](CNC(=O)CCC(C)(C)[NH3+])[C@H]1c1cccs1 ZINC000649340911 431072140 /nfs/dbraw/zinc/07/21/40/431072140.db2.gz AMILREJCCAWCOT-CJNGLKHVSA-N 2 0 323.506 2.765 20 0 DFADRP CC(C)[C@@H]([NH3+])CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000645803811 431077454 /nfs/dbraw/zinc/07/74/54/431077454.db2.gz GBZWKDGIKUBRBO-INIZCTEOSA-N 2 0 321.490 2.547 20 0 DFADRP CC[C@H]([NH2+]C)C(=O)NCc1cccc(C[NH+]2CCCCCC2)c1 ZINC000662425396 431077786 /nfs/dbraw/zinc/07/77/86/431077786.db2.gz HOYZIHSVWKCVLB-SFHVURJKSA-N 2 0 317.477 2.677 20 0 DFADRP CC(C)C[N@H+](C)CCCNC(=O)C[C@H](c1ccccc1)[NH+](C)C ZINC000652523575 431080213 /nfs/dbraw/zinc/08/02/13/431080213.db2.gz UUNKCFZDTXXNQI-GOSISDBHSA-N 2 0 319.493 2.774 20 0 DFADRP C[C@@H]1CCCC[N@@H+]1CCC1CCN(C(=O)[C@H]2CC[C@@H]([NH3+])C2)CC1 ZINC000649378330 431081606 /nfs/dbraw/zinc/08/16/06/431081606.db2.gz YHWZNJLOHNNTLQ-BPQIPLTHSA-N 2 0 321.509 2.617 20 0 DFADRP Cc1cc2c(c(C)c1)[C@@H]([NH2+]C[C@H](C)CN1CC[NH+](C)CC1)CC2 ZINC000655708342 431091671 /nfs/dbraw/zinc/09/16/71/431091671.db2.gz HNYCDMTYNJQUMD-LPHOPBHVSA-N 2 0 315.505 2.764 20 0 DFADRP C[NH+](C)Cc1cccc(CNC(=O)C[C@@H]2[NH2+]Cc3ccccc32)c1 ZINC000662526160 431105235 /nfs/dbraw/zinc/10/52/35/431105235.db2.gz SYQDVUJKMBQRLO-IBGZPJMESA-N 2 0 323.440 2.599 20 0 DFADRP C[N@@H+](Cc1ccccc1)CC1CCN(C[C@@H]2CCC[NH+]2C)CC1 ZINC000649506620 431129847 /nfs/dbraw/zinc/12/98/47/431129847.db2.gz SNLXBYUHOGKUBP-FQEVSTJZSA-N 2 0 315.505 2.925 20 0 DFADRP C[C@@]1(C(=O)NC[C@H](c2cccs2)[NH+]2CCCC2)CCCC[NH2+]1 ZINC000237585054 279153477 /nfs/dbraw/zinc/15/34/77/279153477.db2.gz XTXAIKKUUDMSQC-PBHICJAKSA-N 2 0 321.490 2.533 20 0 DFADRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+][C@H]1CC[C@@H](c2ccccc2)C1 ZINC000275626401 279263787 /nfs/dbraw/zinc/26/37/87/279263787.db2.gz ANBMEGKGPSJJEX-RLLQIKCJSA-N 2 0 315.505 2.938 20 0 DFADRP CC[NH+](CC)CCCNC(=O)C1CC[NH+](CCC=C(C)C)CC1 ZINC000659844836 431139655 /nfs/dbraw/zinc/13/96/55/431139655.db2.gz OXYHOTREZLERHV-UHFFFAOYSA-N 2 0 323.525 2.903 20 0 DFADRP C[C@H](C[NH2+][C@@H](C)C(C)(C)c1ccccc1)N1CC[NH+](C)CC1 ZINC000127345569 279347863 /nfs/dbraw/zinc/34/78/63/279347863.db2.gz PFCGKSMPXRMNBU-SJORKVTESA-N 2 0 303.494 2.578 20 0 DFADRP CCN1CC[NH+](CCCC[NH2+][C@@H](C)C2CCSCC2)CC1 ZINC000186999423 279356461 /nfs/dbraw/zinc/35/64/61/279356461.db2.gz VUSXSYBXEUMTES-INIZCTEOSA-N 2 0 313.555 2.525 20 0 DFADRP C[C@@H](C(=O)N[C@@H](C)C[NH+]1CCC(C)CC1)[C@@H]([NH3+])c1ccccc1 ZINC000662693687 431164410 /nfs/dbraw/zinc/16/44/10/431164410.db2.gz LJFKOMIRLJXRNA-LZLYRXPVSA-N 2 0 317.477 2.559 20 0 DFADRP C[C@@H]([NH3+])c1ccc(C(=O)N[C@@H](C)C[NH+]2CCC(C)CC2)cc1 ZINC000662694015 431165123 /nfs/dbraw/zinc/16/51/23/431165123.db2.gz NODVEPDOLDFCDQ-LSDHHAIUSA-N 2 0 303.450 2.557 20 0 DFADRP CCN(C(=O)CC1([NH3+])CC1)[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000662693870 431165414 /nfs/dbraw/zinc/16/54/14/431165414.db2.gz MKUQPRJFOBIGMI-DOTOQJQBSA-N 2 0 315.461 2.552 20 0 DFADRP COc1ccc(-c2n[nH]cc2C[NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)cc1 ZINC000655827337 431171371 /nfs/dbraw/zinc/17/13/71/431171371.db2.gz SSRYMWQMDQEDMB-AKAXFMLLSA-N 2 0 314.433 2.515 20 0 DFADRP Cc1nn(-c2cccc(C)c2)cc1C[NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000655824788 431171529 /nfs/dbraw/zinc/17/15/29/431171529.db2.gz PPTMCMVSCZRQBF-UWUNEBHHSA-N 2 0 312.461 2.919 20 0 DFADRP COc1ccc(C[NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)c(OC(F)F)c1 ZINC000655826960 431172042 /nfs/dbraw/zinc/17/20/42/431172042.db2.gz JROSNHKQVDIVNM-BJHJDKERSA-N 2 0 314.376 2.726 20 0 DFADRP COc1cc(C[NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)ccc1OC(C)C ZINC000655825796 431172136 /nfs/dbraw/zinc/17/21/36/431172136.db2.gz MKKXNVQADRVSHO-IYBDPMFKSA-N 2 0 306.450 2.912 20 0 DFADRP C[C@@H](O)C[N@H+](C)C1CC[NH+](CC[C@H]2CCc3ccccc32)CC1 ZINC000659897596 431176934 /nfs/dbraw/zinc/17/69/34/431176934.db2.gz YKXPRKYJYZCOOI-SJLPKXTDSA-N 2 0 316.489 2.884 20 0 DFADRP CC(C)[C@H]([NH3+])CCNC(=O)[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000662729578 431178024 /nfs/dbraw/zinc/17/80/24/431178024.db2.gz MJLWINKNZAYXRD-MSOLQXFVSA-N 2 0 317.477 2.531 20 0 DFADRP CCC(CC)(CNC(=O)CC1([NH3+])CC1)[NH2+][C@@H](C)c1ccccc1 ZINC000662731033 431178892 /nfs/dbraw/zinc/17/88/92/431178892.db2.gz WPRWPSMAJQAIAO-HNNXBMFYSA-N 2 0 317.477 2.894 20 0 DFADRP CC[N@H+](C[C@H](O)C[NH+](C)C(C)C)[C@@H](C)Cc1ccc(OC)cc1 ZINC000659912117 431182484 /nfs/dbraw/zinc/18/24/84/431182484.db2.gz GJNFRHMTUMMLCY-FUHWJXTLSA-N 2 0 322.493 2.649 20 0 DFADRP Cc1cc[nH+]c(NC[C@@H]2CC[N@H+](Cc3cc(C)nc(C)n3)C2)c1 ZINC000659906731 431183857 /nfs/dbraw/zinc/18/38/57/431183857.db2.gz OWQKAWSCVYDIPI-INIZCTEOSA-N 2 0 311.433 2.731 20 0 DFADRP CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)C[C@H]1[NH2+]Cc2ccccc21 ZINC000662745329 431184579 /nfs/dbraw/zinc/18/45/79/431184579.db2.gz LYWSZXABKNICOU-FUHWJXTLSA-N 2 0 315.461 2.554 20 0 DFADRP COc1cccc2c1OCC[C@@H]2[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@H]21 ZINC000655851599 431187623 /nfs/dbraw/zinc/18/76/23/431187623.db2.gz ZIBPASFQNQGMCM-PQEBFOHHSA-N 2 0 316.445 2.981 20 0 DFADRP C[NH+]1CCC2(CC1)C[N@H+](Cc1ccc(C(F)F)cc1)CCO2 ZINC000646106431 431190329 /nfs/dbraw/zinc/19/03/29/431190329.db2.gz YJEZRKIMNBYTLB-UHFFFAOYSA-N 2 0 310.388 2.921 20 0 DFADRP Cc1ccc(C[NH+]2CC[C@H](C[N@@H+](C)C[C@@H](O)C(C)C)C2)s1 ZINC000649603423 431191514 /nfs/dbraw/zinc/19/15/14/431191514.db2.gz MALNQVFUCZEVBT-NVXWUHKLSA-N 2 0 310.507 2.827 20 0 DFADRP C[N@@H+]1CCC[C@H]1CN1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000649610031 431194076 /nfs/dbraw/zinc/19/40/76/431194076.db2.gz GECLODSEQYPMSA-PMACEKPBSA-N 2 0 313.489 2.679 20 0 DFADRP CC[NH+](CC)[C@H](C(=O)N[C@@H]1CCC[C@H]1[NH+](C)C)c1ccccc1 ZINC000646011178 431148072 /nfs/dbraw/zinc/14/80/72/431148072.db2.gz HWSUNLYKTUJMMS-KURKYZTESA-N 2 0 317.477 2.668 20 0 DFADRP Cc1cccc(NC(=O)C[C@@H](C)[NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)c1 ZINC000655805087 431153878 /nfs/dbraw/zinc/15/38/78/431153878.db2.gz BKBCDBFOUFDTLJ-INMHGKMJSA-N 2 0 303.450 2.642 20 0 DFADRP CO[C@@](C)(CO)C[NH2+]C1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC000655802817 431155549 /nfs/dbraw/zinc/15/55/49/431155549.db2.gz YCWXSVOPFLTACT-GOSISDBHSA-N 2 0 314.514 2.653 20 0 DFADRP C[NH2+][C@H](CC(C)(C)C)C(=O)N[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000662667416 431155997 /nfs/dbraw/zinc/15/59/97/431155997.db2.gz AAJXHNIHYQBZJG-GDBMZVCRSA-N 2 0 309.498 2.534 20 0 DFADRP C[C@H]([NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1)c1cccc(OCC[NH+](C)C)c1 ZINC000655806202 431157402 /nfs/dbraw/zinc/15/74/02/431157402.db2.gz QZNIDUAKNLIRFL-XYJFISCASA-N 3 0 319.493 2.618 20 0 DFADRP C[C@@H]([NH3+])c1ccc(C(=O)N[C@H]2CC[N@@H+](C3CCCCC3)C2)cc1 ZINC000662668485 431157884 /nfs/dbraw/zinc/15/78/84/431157884.db2.gz NIEDKFLMMOKDLA-PBHICJAKSA-N 2 0 315.461 2.843 20 0 DFADRP C[C@H]1C[C@H](C)C[NH+](CCCCNC(=O)C2([NH3+])CC3(CCC3)C2)C1 ZINC000662681715 431158931 /nfs/dbraw/zinc/15/89/31/431158931.db2.gz CCRBKSPUBGIYQN-HOTGVXAUSA-N 2 0 321.509 2.522 20 0 DFADRP C[N@@H+]1CCC[C@H](N2CC[NH+](C[C@H]3CCCCC3(C)C)CC2)C1 ZINC000660074803 431257696 /nfs/dbraw/zinc/25/76/96/431257696.db2.gz QMAFGRSGJCZGEQ-MSOLQXFVSA-N 2 0 307.526 2.915 20 0 DFADRP CCC(C)(C)[NH+]1CCN(C(=O)Nc2cccc(C[NH2+]C)c2)CC1 ZINC000655906784 431211027 /nfs/dbraw/zinc/21/10/27/431211027.db2.gz APMOBIMELYNRJL-UHFFFAOYSA-N 2 0 318.465 2.744 20 0 DFADRP [NH3+][C@H](CCC(=O)N[C@H]1CCC[N@@H+]2CCCC[C@@H]12)c1ccccc1 ZINC000662839013 431212704 /nfs/dbraw/zinc/21/27/04/431212704.db2.gz OJLLCCNOXGWLJZ-SQNIBIBYSA-N 2 0 315.461 2.600 20 0 DFADRP C[NH2+]Cc1cccc(NC(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@@H]23)c1 ZINC000655907682 431215027 /nfs/dbraw/zinc/21/50/27/431215027.db2.gz MDJQYBKNKGKIEG-SJORKVTESA-N 2 0 316.449 2.544 20 0 DFADRP CC[NH+](CC)CCO[C@H]1CC[N@H+](C[C@@H](OC)C2CCCC2)C1 ZINC000659979502 431218851 /nfs/dbraw/zinc/21/88/51/431218851.db2.gz MJWYYNFIWVRMGR-ZWKOTPCHSA-N 2 0 312.498 2.624 20 0 DFADRP Cc1sccc1C[N@@H+](C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000646196919 431224373 /nfs/dbraw/zinc/22/43/73/431224373.db2.gz CXMYQEPLTXFFIS-QGZVFWFLSA-N 2 0 307.507 2.657 20 0 DFADRP COc1ccc([C@H](C[NH3+])C[N@@H+]2CCC[C@@H](OC3CCC3)C2)cc1 ZINC000655948034 431225743 /nfs/dbraw/zinc/22/57/43/431225743.db2.gz WHTFFUMQAMQNLL-VQIMIIECSA-N 2 0 318.461 2.771 20 0 DFADRP C[C@H](CCC(C)(C)C)[NH2+]CC(=O)NCC[NH+]1CCCCCC1 ZINC000646215346 431228403 /nfs/dbraw/zinc/22/84/03/431228403.db2.gz VNSBQYREUINDGD-MRXNPFEDSA-N 2 0 311.514 2.783 20 0 DFADRP C[C@H](C(=O)N1CCC[C@@H](C)[C@H]1CCC[NH3+])[C@@H]([NH3+])c1ccccc1 ZINC000662890902 431229770 /nfs/dbraw/zinc/22/97/70/431229770.db2.gz QCRTYBQHZPAHNQ-CYGHRXIMSA-N 2 0 317.477 2.689 20 0 DFADRP CC[C@@H]([NH2+]Cc1ccc(OCC[NH+](C)C)cc1)[C@H](O)C(C)C ZINC000666446718 431233540 /nfs/dbraw/zinc/23/35/40/431233540.db2.gz JNKLACXSVUVFRR-QZTJIDSGSA-N 2 0 308.466 2.512 20 0 DFADRP [NH3+][C@@H]1CCCCCC[C@@H]1C(=O)NCC1CC[NH+](CC2CC2)CC1 ZINC000662971416 431244762 /nfs/dbraw/zinc/24/47/62/431244762.db2.gz GQRBIAGJEFLEJA-ZWKOTPCHSA-N 2 0 321.509 2.522 20 0 DFADRP C[NH+](C)CC[C@@H](N)C(=O)Nc1ccccc1Oc1ccccc1 ZINC000653057959 431248604 /nfs/dbraw/zinc/24/86/04/431248604.db2.gz YFJPBXVCBIYWRT-OAHLLOKOSA-N 2 0 313.401 2.696 20 0 DFADRP C[C@H]([NH3+])c1ccc(C(=O)N2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)cc1 ZINC000646379008 431289141 /nfs/dbraw/zinc/28/91/41/431289141.db2.gz MRQOOSZQXBWDQP-BMGDILEWSA-N 2 0 315.461 2.558 20 0 DFADRP [NH3+][C@@H]1CCC[C@@H]([NH2+]Cc2cccc(NC(=O)C3CCC3)c2)C1 ZINC000656193863 431302692 /nfs/dbraw/zinc/30/26/92/431302692.db2.gz WECOQOJZUPLWLR-HZPDHXFCSA-N 2 0 301.434 2.785 20 0 DFADRP CC(C)[NH+]1CCC(N2CC[NH+](C[C@@H]3CC[C@@H]4C[C@@H]4C3)CC2)CC1 ZINC000660107909 431270618 /nfs/dbraw/zinc/27/06/18/431270618.db2.gz SHJJNBICZZBGPG-QRVBRYPASA-N 2 0 319.537 2.913 20 0 DFADRP Cc1ccc(C[NH+](C)C)cc1NC(=O)[C@H]1CC[C@H](C2CC2)[NH2+]1 ZINC000653122332 431272466 /nfs/dbraw/zinc/27/24/66/431272466.db2.gz UBLCEARUGSWKKW-HZPDHXFCSA-N 2 0 301.434 2.526 20 0 DFADRP COc1cc(CN2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)sn1 ZINC000660114289 431274735 /nfs/dbraw/zinc/27/47/35/431274735.db2.gz GMJZULKXTOWTOF-IUODEOHRSA-N 2 0 307.463 2.600 20 0 DFADRP CCOCCC[N@@H+]1CC[C@@H](NCc2nc(C)oc2C)[C@H](C)C1 ZINC000660303946 431368766 /nfs/dbraw/zinc/36/87/66/431368766.db2.gz AAXNZCHNSPHSKO-CZUORRHYSA-N 2 0 309.454 2.518 20 0 DFADRP CCOCCC[N@@H+]1CC[C@H](NCc2cc(C3CC3)no2)[C@@H](C)C1 ZINC000660304036 431369943 /nfs/dbraw/zinc/36/99/43/431369943.db2.gz BSACWCVVHPVIRE-YOEHRIQHSA-N 2 0 321.465 2.779 20 0 DFADRP CC[NH+](CC)CCCN1CC[N@H+](C)C[C@@H]1Cc1ccccc1 ZINC000649828808 431321101 /nfs/dbraw/zinc/32/11/01/431321101.db2.gz TYQKMIAWSMINGY-IBGZPJMESA-N 2 0 303.494 2.577 20 0 DFADRP CC[NH+](CC)Cc1ccc(C(=O)N2CC[C@@H]([NH+](C)C)[C@@H]2C)cc1 ZINC000646486031 431324533 /nfs/dbraw/zinc/32/45/33/431324533.db2.gz ZWSZPRKWORRHJE-MAUKXSAKSA-N 2 0 317.477 2.693 20 0 DFADRP CO[C@@H](C[NH+]1CCC(CCC[NH+]2CCOCC2)CC1)C1CCC1 ZINC000660232484 431332761 /nfs/dbraw/zinc/33/27/61/431332761.db2.gz JLBDXRLYZJKQIY-IBGZPJMESA-N 2 0 324.509 2.626 20 0 DFADRP C[NH2+]C[C@@H](C)C(=O)Nc1ccc(SCC[NH+]2CCCC2)cc1 ZINC000653253116 431337743 /nfs/dbraw/zinc/33/77/43/431337743.db2.gz HPTAONOSMMAFJK-CQSZACIVSA-N 2 0 321.490 2.669 20 0 DFADRP c1cc(N2CCC([NH2+][C@@H](C3CC3)[C@@H]3CCCCO3)CC2)cc[nH+]1 ZINC000656267885 431345885 /nfs/dbraw/zinc/34/58/85/431345885.db2.gz MESKBXFWFLPZHE-OALUTQOASA-N 2 0 315.461 2.988 20 0 DFADRP CCc1ccccc1NC(=O)C[C@@H](C)NC[C@H]1CCCC[NH2+]1 ZINC000666770242 431350475 /nfs/dbraw/zinc/35/04/75/431350475.db2.gz QBHYPFJRRZUIQU-GDBMZVCRSA-N 2 0 303.450 2.698 20 0 DFADRP C[C@H](CC(=O)Nc1cccc(Cl)c1)NC[C@H]1CCCC[NH2+]1 ZINC000666770163 431350689 /nfs/dbraw/zinc/35/06/89/431350689.db2.gz NWKVIJTWKIFGKA-IUODEOHRSA-N 2 0 309.841 2.789 20 0 DFADRP C[C@@H](CC(=O)Nc1cccc(Cl)c1)NC[C@@H]1CCCC[NH2+]1 ZINC000666770165 431350974 /nfs/dbraw/zinc/35/09/74/431350974.db2.gz NWKVIJTWKIFGKA-WFASDCNBSA-N 2 0 309.841 2.789 20 0 DFADRP CC(C)c1cccc(C[NH2+]CCN2CCC([NH+](C)C)CC2)c1 ZINC000663317536 431361394 /nfs/dbraw/zinc/36/13/94/431361394.db2.gz DOHRBUMOUNEUJW-UHFFFAOYSA-N 2 0 303.494 2.926 20 0 DFADRP c1cnn(C[C@H](NC2CC[NH+](C3CC3)CC2)c2ccccc2)c1 ZINC000656502185 431413044 /nfs/dbraw/zinc/41/30/44/431413044.db2.gz IXUOAFGWPLTMKP-IBGZPJMESA-N 2 0 310.445 2.841 20 0 DFADRP FC(F)(F)COc1cccc(C[NH2+][C@H]2CC23CC[NH2+]CC3)c1 ZINC000666951040 431420834 /nfs/dbraw/zinc/42/08/34/431420834.db2.gz YVNMJNFHEAZGTC-AWEZNQCLSA-N 2 0 314.351 2.859 20 0 DFADRP C[N@@H+](Cc1cnc2ccccc2n1)C[C@H]1CCn2ccnc2C1 ZINC000660421045 431421815 /nfs/dbraw/zinc/42/18/15/431421815.db2.gz XLKMCZGPFLWLAS-AWEZNQCLSA-N 2 0 307.401 2.521 20 0 DFADRP Cc1ccc(C[NH2+][C@H]2CC23CC[NH2+]CC3)c(-c2ccnn2C)c1 ZINC000666955524 431422000 /nfs/dbraw/zinc/42/20/00/431422000.db2.gz VOENPSFNQBIERO-SFHVURJKSA-N 2 0 310.445 2.627 20 0 DFADRP COc1ccc(OC(F)F)c(C[NH2+][C@@H]2CC23CC[NH2+]CC3)c1 ZINC000666952289 431422317 /nfs/dbraw/zinc/42/23/17/431422317.db2.gz OTJNTRXKBSRGCH-CQSZACIVSA-N 2 0 312.360 2.528 20 0 DFADRP C[C@@H](CC(=O)Nc1cccc(Cl)c1)[NH2+][C@H]1CC12CC[NH2+]CC2 ZINC000666953730 431422719 /nfs/dbraw/zinc/42/27/19/431422719.db2.gz GKMPVWGANHSXPD-WFASDCNBSA-N 2 0 321.852 2.789 20 0 DFADRP Cc1ccc(C[NH2+][C@H]2CC23CC[NH2+]CC3)c(Br)c1 ZINC000666952163 431423418 /nfs/dbraw/zinc/42/34/18/431423418.db2.gz IRJFKOFYHHIKES-AWEZNQCLSA-N 2 0 309.251 2.989 20 0 DFADRP [NH3+][C@H]1CCC[C@H]([NH2+]Cc2cnn(Cc3ccccc3Cl)c2)C1 ZINC000666852283 431384697 /nfs/dbraw/zinc/38/46/97/431384697.db2.gz ZBNXIEOEIPIHNK-HOTGVXAUSA-N 2 0 318.852 2.944 20 0 DFADRP COc1ccc(C[NH2+][C@@H]2CCC[NH2+]CC2)cc1OCC(C)C ZINC000666855295 431386463 /nfs/dbraw/zinc/38/64/63/431386463.db2.gz KVJCZRJMVGTHOA-MRXNPFEDSA-N 2 0 306.450 2.962 20 0 DFADRP C[C@H]1CC[C@H]([NH2+]CCCN2CC[NH+](C)CC2)c2ccccc21 ZINC000162544558 279760131 /nfs/dbraw/zinc/76/01/31/279760131.db2.gz PRZFPYWJDVPWOO-LPHOPBHVSA-N 2 0 301.478 2.852 20 0 DFADRP CC[NH2+]CC1CCN(C(=O)c2ccc(C[NH+](CC)CC)o2)CC1 ZINC000646806829 431398077 /nfs/dbraw/zinc/39/80/77/431398077.db2.gz IQPULAYDUKENLX-UHFFFAOYSA-N 2 0 321.465 2.583 20 0 DFADRP c1cc2c(cc[nH+]c2NCC[NH+]2CCN(c3ccccc3)CC2)[nH]1 ZINC000663383496 431398103 /nfs/dbraw/zinc/39/81/03/431398103.db2.gz GQOCBEVVPCRUAF-UHFFFAOYSA-N 2 0 321.428 2.797 20 0 DFADRP Cc1cc(N)cc(C[NH2+]Cc2ccc(OCC[NH+](C)C)cc2)c1 ZINC000666904967 431401901 /nfs/dbraw/zinc/40/19/01/431401901.db2.gz SQTKQSOHQYQKSG-UHFFFAOYSA-N 2 0 313.445 2.807 20 0 DFADRP COCCCOc1cccc(C[NH2+][C@@H]2CC[NH2+]C3(CCC3)C2)c1 ZINC000666998119 431440219 /nfs/dbraw/zinc/44/02/19/431440219.db2.gz CEYIFBDELISQNA-QGZVFWFLSA-N 2 0 318.461 2.866 20 0 DFADRP COc1ccc(C[NH2+]CC[C@@H]([NH3+])C(C)C)cc1Br ZINC000663499385 431446147 /nfs/dbraw/zinc/44/61/47/431446147.db2.gz ZISHXYHWMXQVBP-CYBMUJFWSA-N 2 0 315.255 2.921 20 0 DFADRP C[NH2+]CCCC(=O)N1CCC([NH2+][C@H](C)C2CCCCC2)CC1 ZINC000663505292 431449009 /nfs/dbraw/zinc/44/90/09/431449009.db2.gz HATGVDNKSQEKPJ-OAHLLOKOSA-N 2 0 309.498 2.535 20 0 DFADRP c1cc(CCC[N@@H+]2CCC[C@H](N3CCOCC3)CC2)cs1 ZINC000660476657 431451277 /nfs/dbraw/zinc/45/12/77/431451277.db2.gz DOFCLOLVMNEZKT-KRWDZBQOSA-N 2 0 308.491 2.867 20 0 DFADRP COc1cccc(-c2n[nH]cc2C[N@@H+]2CC[C@@H](C)[C@@H](C[NH3+])C2)c1 ZINC000667039017 431454744 /nfs/dbraw/zinc/45/47/44/431454744.db2.gz GDZXQOQYFNFLOR-HIFRSBDPSA-N 2 0 314.433 2.502 20 0 DFADRP CCc1ccc([C@@H](CNC(=O)[C@H](C)[NH+](C)C)[NH+](CC)CC)cc1 ZINC000647080583 431455656 /nfs/dbraw/zinc/45/56/56/431455656.db2.gz KCYJPGCIYQVRAR-MAUKXSAKSA-N 2 0 319.493 2.698 20 0 DFADRP CO[C@H]1C[C@H]2C[C@@H]([NH2+]C[C@@H]3CCC[N@H+](CC4CC4)C3)C[C@H]2C1 ZINC000663463652 431428055 /nfs/dbraw/zinc/42/80/55/431428055.db2.gz AQPBKDOSYUZHBZ-QXCZDIPSSA-N 2 0 306.494 2.902 20 0 DFADRP c1cc2cc(C[NH2+]C3CCC([NH+]4CCNCC4)CC3)ccc2cn1 ZINC000666977366 431431971 /nfs/dbraw/zinc/43/19/71/431431971.db2.gz APBWBFMAIDZBDG-UHFFFAOYSA-N 2 0 324.472 2.541 20 0 DFADRP Cn1ncc2c1CCC[C@H]2[NH2+]C[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000663467209 431432510 /nfs/dbraw/zinc/43/25/10/431432510.db2.gz DSCPWQXKTWZUNF-DOTOQJQBSA-N 2 0 302.466 2.509 20 0 DFADRP O[C@H]1CCC[C@@H](C[N@H+]2C[C@@H]3C[NH+](Cc4ccccc4)C[C@@H]3C2)C1 ZINC000660445267 431433969 /nfs/dbraw/zinc/43/39/69/431433969.db2.gz APMPMUSWMLVBEY-ZRNYENFQSA-N 2 0 314.473 2.601 20 0 DFADRP Cc1[nH+]ccc(N2CCC[C@H]([C@@H]3C[C@H]([NH3+])CCO3)C2)c1Cl ZINC000650296686 431516980 /nfs/dbraw/zinc/51/69/80/431516980.db2.gz JXZFPYXUTIFGQN-GUTXKFCHSA-N 2 0 309.841 2.766 20 0 DFADRP Cc1ccc2ncc(C[N@@H+]3CCC[C@H](C4CC[NH2+]CC4)C3)n2c1 ZINC000656785154 431522225 /nfs/dbraw/zinc/52/22/25/431522225.db2.gz JQWSKTDOPMOKHK-KRWDZBQOSA-N 2 0 312.461 2.854 20 0 DFADRP Cc1nn(C(C)C)cc1C[NH+]1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000656785417 431522624 /nfs/dbraw/zinc/52/26/24/431522624.db2.gz HDGMKAJSSAFFBO-QGZVFWFLSA-N 2 0 304.482 2.984 20 0 DFADRP COc1cc(C)nc(C[NH+]2CCC([C@H]3CCC[NH2+]C3)CC2)c1 ZINC000656784863 431523850 /nfs/dbraw/zinc/52/38/50/431523850.db2.gz DIBOTCPSLSJGIC-INIZCTEOSA-N 2 0 303.450 2.610 20 0 DFADRP Cc1ccc(NC(=O)C[C@@H](C)[NH2+]CC2([NH3+])CCCC2)c(C)c1 ZINC000656789679 431525350 /nfs/dbraw/zinc/52/53/50/431525350.db2.gz VEWTYNCHVLTIHU-OAHLLOKOSA-N 2 0 303.450 2.882 20 0 DFADRP C[C@@H]1C[C@@H](NCC2([NH3+])CCCC2)CC[N@@H+]1Cc1ccccc1 ZINC000656789092 431525744 /nfs/dbraw/zinc/52/57/44/431525744.db2.gz IVFLGRUFZBUFNN-AEFFLSMTSA-N 2 0 301.478 2.901 20 0 DFADRP C[N@@H+]1C[C@@H](C[NH2+]Cc2cnc3ccccn23)[C@H](c2ccccc2)C1 ZINC000647248798 431526926 /nfs/dbraw/zinc/52/69/26/431526926.db2.gz GAXLRYJVOIEUKT-MJGOQNOKSA-N 2 0 320.440 2.769 20 0 DFADRP C[N@@H+]1C[C@@H](C[NH2+]Cc2cccc3nccn32)[C@H](c2ccccc2)C1 ZINC000647248993 431529133 /nfs/dbraw/zinc/52/91/33/431529133.db2.gz WGZISJNZJPXESN-MJGOQNOKSA-N 2 0 320.440 2.769 20 0 DFADRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@H](C)c1nc2ccccc2n1C ZINC000091369118 279899106 /nfs/dbraw/zinc/89/91/06/279899106.db2.gz IXAGRPVEMCCDRW-HUUCEWRRSA-N 2 0 318.465 2.581 20 0 DFADRP c1ccc(-c2nc([C@@H]3CCC[NH2+]3)no2)c(CC2CC[NH2+]CC2)c1 ZINC000647147882 431482310 /nfs/dbraw/zinc/48/23/10/431482310.db2.gz AOJWIOMSHPKIAS-INIZCTEOSA-N 2 0 312.417 2.703 20 0 DFADRP CC(C)Cn1nccc1C[NH2+]Cc1cccc(C[NH+](C)C)c1 ZINC000647169810 431491881 /nfs/dbraw/zinc/49/18/81/431491881.db2.gz BVBUSEYORJROLP-UHFFFAOYSA-N 2 0 300.450 2.891 20 0 DFADRP C[N@@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccc(-n3cccn3)cc1)C2 ZINC000660651874 431532231 /nfs/dbraw/zinc/53/22/31/431532231.db2.gz DMMNKMPMLGFMKS-LJQANCHMSA-N 2 0 310.445 2.790 20 0 DFADRP Cc1ccc(-c2nn(C)cc2C[NH2+][C@H]2CC[N@H+](C)[C@@H](C)C2)o1 ZINC000647186456 431503174 /nfs/dbraw/zinc/50/31/74/431503174.db2.gz MWJQAYGBRINSQV-WFASDCNBSA-N 2 0 302.422 2.561 20 0 DFADRP Cc1cc(CO)cc(N[C@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)n1 ZINC000663711411 431509002 /nfs/dbraw/zinc/50/90/02/431509002.db2.gz KWWBFEOJXVGONW-YJBOKZPZSA-N 2 0 311.429 2.957 20 0 DFADRP Cc1cc(CO)cc(N[C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)n1 ZINC000663711408 431509653 /nfs/dbraw/zinc/50/96/53/431509653.db2.gz KWWBFEOJXVGONW-CRAIPNDOSA-N 2 0 311.429 2.957 20 0 DFADRP c1cc2c(cc[nH+]c2N2CC[C@@H](OCC[NH+]3CCCCC3)C2)[nH]1 ZINC000663731311 431515793 /nfs/dbraw/zinc/51/57/93/431515793.db2.gz JCGZZJJORDCSNY-OAHLLOKOSA-N 2 0 314.433 2.644 20 0 DFADRP CC[C@H]([NH2+]C[C@@H]1C[N@H+](C)C[C@H]1c1ccccc1)[C@@H]1CCOC1 ZINC000647343908 431558468 /nfs/dbraw/zinc/55/84/68/431558468.db2.gz FSKVJLJXCXNMGH-YRXWBPOGSA-N 2 0 302.462 2.737 20 0 DFADRP CO[C@@H]1[C@H](C)[C@H]([NH2+]C[C@@H]2C[N@H+](C)C[C@H]2c2ccccc2)C1(C)C ZINC000647344144 431558859 /nfs/dbraw/zinc/55/88/59/431558859.db2.gz KBJLKYWZOLXXGE-GYFISPQKSA-N 2 0 316.489 2.981 20 0 DFADRP C[N@@H+]1CC[C@]2(C1)CCC[NH+](CCc1ccc3c(c1)CCO3)C2 ZINC000660659323 431534015 /nfs/dbraw/zinc/53/40/15/431534015.db2.gz OCXFLORAKIWUKO-IBGZPJMESA-N 2 0 300.446 2.582 20 0 DFADRP COc1cncc(/C=C\CC[N@@H+]2CCC[C@@]3(CC[NH+](C)C3)C2)c1 ZINC000660662414 431538784 /nfs/dbraw/zinc/53/87/84/431538784.db2.gz KAIKANAVIDGEKM-ORUDLHBZSA-N 2 0 315.461 2.911 20 0 DFADRP C[N@@H+]1CCC[C@@H]1CCN1CCCN(c2cccc(F)c2F)CC1 ZINC000660665019 431539498 /nfs/dbraw/zinc/53/94/98/431539498.db2.gz LCEHPEHHRBAXCN-OAHLLOKOSA-N 2 0 323.431 2.961 20 0 DFADRP c1cn(-c2csc(C[N@@H+]3CCC[C@H]([C@@H]4CCC[NH2+]4)C3)c2)cn1 ZINC000647479424 431602094 /nfs/dbraw/zinc/60/20/94/431602094.db2.gz GMNBIJRAWOEXMQ-YOEHRIQHSA-N 2 0 316.474 2.898 20 0 DFADRP C(c1nc2c(s1)CCCC2)[NH+]1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000647483188 431603736 /nfs/dbraw/zinc/60/37/36/431603736.db2.gz ADEGOXFVPKDCFI-CQSZACIVSA-N 2 0 305.491 2.986 20 0 DFADRP COc1ccc(C[N@@H+]2CCC[C@H]([C@@H]3C[C@@H]([NH3+])CCO3)C2)cc1C ZINC000650705226 431655055 /nfs/dbraw/zinc/65/50/55/431655055.db2.gz ABFMFKBZSVBVAE-LNLFQRSKSA-N 2 0 318.461 2.722 20 0 DFADRP C[C@@H]1CCC[N@H+](Cc2ccc(OCC[NH+](C)C)cc2)[C@H]1CC[NH3+] ZINC000650711022 431655951 /nfs/dbraw/zinc/65/59/51/431655951.db2.gz GMEUWSNIUWVHON-APWZRJJASA-N 3 0 319.493 2.576 20 0 DFADRP COc1ccc(C[N@@H+]2CCC[C@H]([C@H]3C[C@@H]([NH3+])CCO3)C2)c(F)c1 ZINC000650708984 431657522 /nfs/dbraw/zinc/65/75/22/431657522.db2.gz XSPOLHAEFUENRB-RLFYNMQTSA-N 2 0 322.424 2.553 20 0 DFADRP CC(C)N(C)c1ccc(C[N@@H+]2CCC[C@@H](C)[C@H]2CC[NH3+])cn1 ZINC000650712056 431659767 /nfs/dbraw/zinc/65/97/67/431659767.db2.gz PCGWHCSVJRFKPU-NVXWUHKLSA-N 2 0 304.482 2.876 20 0 DFADRP Cc1ccc(-c2nn(C)cc2C[N@H+]2CCC[C@H]([C@H](C)[NH3+])C2)o1 ZINC000647496491 431606294 /nfs/dbraw/zinc/60/62/94/431606294.db2.gz LFVDFNOTKWRRAL-KBPBESRZSA-N 2 0 302.422 2.548 20 0 DFADRP CC[C@@H]1C[N@H+](Cc2ccc(OC[C@@H]3CCCO3)cc2)CC[C@H]1[NH3+] ZINC000647499018 431610510 /nfs/dbraw/zinc/61/05/10/431610510.db2.gz WYZRSBNXSMQRJW-NZSAHSFTSA-N 2 0 318.461 2.804 20 0 DFADRP C[C@@H]1CC[N@H+](Cc2ccccc2)CCN1C[C@]1(C)CC[NH2+]C1 ZINC000647515628 431612667 /nfs/dbraw/zinc/61/26/67/431612667.db2.gz SKYZVTADYJOJQM-IEBWSBKVSA-N 2 0 301.478 2.582 20 0 DFADRP COc1cccc(CC2CC[NH+](C[C@@]3(C)CC[NH2+]C3)CC2)c1 ZINC000647518672 431616006 /nfs/dbraw/zinc/61/60/06/431616006.db2.gz YRGBIRVXBROASX-IBGZPJMESA-N 2 0 302.462 2.949 20 0 DFADRP CC(C)[N@H+](C)C[C@H](O)C[NH+]1CCC[C@]1(C)Cc1ccc(F)cc1 ZINC000660829746 431617405 /nfs/dbraw/zinc/61/74/05/431617405.db2.gz GKZWZDMKXWBJGU-RBUKOAKNSA-N 2 0 322.468 2.924 20 0 DFADRP C[N@H+](Cc1ccccc1)CC(C)(C)CN1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000647533547 431619612 /nfs/dbraw/zinc/61/96/12/431619612.db2.gz UIJQPPTUIJUZAA-OALUTQOASA-N 2 0 315.505 2.828 20 0 DFADRP C(c1nc2c(s1)CCC2)[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647542754 431621591 /nfs/dbraw/zinc/62/15/91/431621591.db2.gz BKZNNZLHYLIWPV-KGLIPLIRSA-N 2 0 305.491 2.843 20 0 DFADRP Fc1cccn2cc(C[N@@H+]3CCC[C@@H]([C@@H]4CCC[NH2+]C4)C3)nc12 ZINC000647543751 431623978 /nfs/dbraw/zinc/62/39/78/431623978.db2.gz RPKKHWNNXBSEJZ-HUUCEWRRSA-N 2 0 316.424 2.685 20 0 DFADRP CCN(C)c1ccc(C[N@@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)cn1 ZINC000647543316 431624334 /nfs/dbraw/zinc/62/43/34/431624334.db2.gz KXMJTOTVCOIHPM-ZWKOTPCHSA-N 2 0 316.493 2.749 20 0 DFADRP COc1ccc(C[N@@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)cc1OC ZINC000647543911 431625899 /nfs/dbraw/zinc/62/58/99/431625899.db2.gz UJGUOSIYLMFBOP-IRXDYDNUSA-N 2 0 318.461 2.915 20 0 DFADRP Cc1cccc2ncc(C[N@@H+]3CCC[C@@H]([C@H]4CCC[NH2+]C4)C3)n21 ZINC000647543101 431626001 /nfs/dbraw/zinc/62/60/01/431626001.db2.gz HRQCFMRTTCARBE-DLBZAZTESA-N 2 0 312.461 2.854 20 0 DFADRP [NH3+]Cc1ccc(CN[C@H]2CC[NH2+][C@H](c3ccccc3)C2)c(F)c1 ZINC000650716540 431661127 /nfs/dbraw/zinc/66/11/27/431661127.db2.gz BLVPKMPFPYDIDM-HKUYNNGSSA-N 2 0 313.420 2.867 20 0 DFADRP CCOc1cc(C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)ccc1OC ZINC000647548865 431628847 /nfs/dbraw/zinc/62/88/47/431628847.db2.gz YQHJCAIHBHFBAL-BZUAXINKSA-N 2 0 304.434 2.572 20 0 DFADRP CC[NH+](CC)[C@@H](C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1)c1ccccc1 ZINC000654066398 431640965 /nfs/dbraw/zinc/64/09/65/431640965.db2.gz VBPZACCOWRXBOE-BPQIPLTHSA-N 2 0 317.477 2.526 20 0 DFADRP CC[NH+](CC)[C@H](C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1)c1ccccc1 ZINC000654066399 431641339 /nfs/dbraw/zinc/64/13/39/431641339.db2.gz VBPZACCOWRXBOE-JQHSSLGASA-N 2 0 317.477 2.526 20 0 DFADRP Cc1[nH]c2ncnc(N3C[C@@H](C[NH3+])[C@H](c4ccccc4)C3)c2c1C ZINC000647707537 431664146 /nfs/dbraw/zinc/66/41/46/431664146.db2.gz WQIPPQBHNRCSDG-CVEARBPZSA-N 2 0 321.428 2.753 20 0 DFADRP CC(C)[N@H+](C)Cc1ccccc1C[NH2+]Cc1cnn2c1CCC2 ZINC000657308954 431666421 /nfs/dbraw/zinc/66/64/21/431666421.db2.gz ZWVLOSKBZRNTMC-UHFFFAOYSA-N 2 0 312.461 2.959 20 0 DFADRP C[NH2+]Cc1ccccc1C[NH2+]Cc1cn(C)nc1-c1ccc(C)o1 ZINC000650720272 431666690 /nfs/dbraw/zinc/66/66/90/431666690.db2.gz KHXPLGVUGGYROH-UHFFFAOYSA-N 2 0 324.428 2.998 20 0 DFADRP C[C@]1(C[N@@H+]2CCC[C@@H]3O[C@H](c4ccccc4)C[C@@H]32)CC[NH2+]C1 ZINC000650724939 431667611 /nfs/dbraw/zinc/66/76/11/431667611.db2.gz PJDYDMWVMWYYHG-VJANTYMQSA-N 2 0 300.446 2.981 20 0 DFADRP C[C@@]1(C[N@@H+]2CCC[C@@H]3O[C@H](c4ccccc4)C[C@@H]32)CC[NH2+]C1 ZINC000650724938 431669039 /nfs/dbraw/zinc/66/90/39/431669039.db2.gz PJDYDMWVMWYYHG-CADBVGFASA-N 2 0 300.446 2.981 20 0 DFADRP COC[C@@H](C)Oc1ccc(C[NH2+]C[C@@H](C)C[NH+]2CCCC2)cc1 ZINC000657317552 431672689 /nfs/dbraw/zinc/67/26/89/431672689.db2.gz CFWKVLYPUHTIGM-IAGOWNOFSA-N 2 0 320.477 2.922 20 0 DFADRP CC(C)NC(=O)Nc1ccc([C@H](C)[NH2+]CCC2(C[NH3+])CC2)cc1 ZINC000650744658 431674586 /nfs/dbraw/zinc/67/45/86/431674586.db2.gz SYSMDVMUGRFCQS-AWEZNQCLSA-N 2 0 318.465 2.996 20 0 DFADRP Cc1ccccc1[C@@H]1C[C@H]1[NH2+][C@@H]1CCOC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000650741898 431674880 /nfs/dbraw/zinc/67/48/80/431674880.db2.gz NUENTJLUKFAFJW-LTFXXXRZSA-N 2 0 300.446 2.598 20 0 DFADRP C[NH2+]Cc1ccccc1C[NH2+][C@@H](C)c1cccc(-n2ccnn2)c1 ZINC000650755789 431681391 /nfs/dbraw/zinc/68/13/91/431681391.db2.gz MTGWUXZFMQQTIE-HNNXBMFYSA-N 2 0 321.428 2.838 20 0 DFADRP [NH3+]Cc1ccc(C[NH2+][C@@H]2CCCC[C@@H]2[C@H]2CCOC2)c(F)c1 ZINC000650755008 431683013 /nfs/dbraw/zinc/68/30/13/431683013.db2.gz WVBSTAJNVQLTEK-LZLYRXPVSA-N 2 0 306.425 2.969 20 0 DFADRP c1csc(-c2nc(C[NH2+][C@@H]3CC[C@H]4C[NH2+]C[C@@H]4C3)co2)c1 ZINC000647784300 431684109 /nfs/dbraw/zinc/68/41/09/431684109.db2.gz PYOMEVIVRCKCKK-RWMBFGLXSA-N 2 0 303.431 2.881 20 0 DFADRP Cn1ccc([C@H]([NH2+]CCC2CC[NH2+]CC2)c2ccc(F)cc2)n1 ZINC000650763407 431684158 /nfs/dbraw/zinc/68/41/58/431684158.db2.gz ZLJVQOPARUEDFM-GOSISDBHSA-N 2 0 316.424 2.628 20 0 DFADRP c1cnn(C[C@H]([NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)c2ccccc2)c1 ZINC000647786093 431684345 /nfs/dbraw/zinc/68/43/45/431684345.db2.gz HWLPNLFBOIWRJV-OKYOBFRVSA-N 2 0 310.445 2.602 20 0 DFADRP c1ccc(CCOCCC[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC000647786550 431684895 /nfs/dbraw/zinc/68/48/95/431684895.db2.gz RKPPOODELFUYQD-CEXWTWQISA-N 2 0 302.462 2.614 20 0 DFADRP CN(C)[C@H](C[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)c1ccccc1Cl ZINC000647785912 431685002 /nfs/dbraw/zinc/68/50/02/431685002.db2.gz GDNKQZDJTWHMKV-BASYENTBSA-N 2 0 321.896 2.920 20 0 DFADRP c1cc(C[NH+]2CCCC2)ccc1C[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000647788056 431685188 /nfs/dbraw/zinc/68/51/88/431685188.db2.gz BSWQWXLMSUYXEP-VAMGGRTRSA-N 3 0 313.489 2.760 20 0 DFADRP COCC[C@H](Cc1cccc(F)c1)[NH2+]CCC1CC[NH2+]CC1 ZINC000650763799 431686056 /nfs/dbraw/zinc/68/60/56/431686056.db2.gz JRFVRVWZHKVJFQ-GOSISDBHSA-N 2 0 308.441 2.753 20 0 DFADRP CC(C)[C@@H](C[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)N1CCC(C)CC1 ZINC000647788388 431686756 /nfs/dbraw/zinc/68/67/56/431686756.db2.gz INQIPBISMLXQNP-FCGDIQPGSA-N 2 0 307.526 2.721 20 0 DFADRP CCC(CC)[C@H](C[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1)[NH+]1CCCC1 ZINC000647788621 431686797 /nfs/dbraw/zinc/68/67/97/431686797.db2.gz NINXAKLVXNUSHX-MANSERQUSA-N 3 0 307.526 2.865 20 0 DFADRP Fc1ccc(N2CC[C@H]([NH2+][C@@H]3CC[C@@H]4C[NH2+]C[C@@H]4C3)C2)c(F)c1 ZINC000647790099 431687006 /nfs/dbraw/zinc/68/70/06/431687006.db2.gz RJPNVVJJXXPVPZ-CLWVCHIJSA-N 2 0 321.415 2.521 20 0 DFADRP CCCOc1ccc(C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)cc1OC ZINC000647788649 431687053 /nfs/dbraw/zinc/68/70/53/431687053.db2.gz NSPBKCXHDDQNEY-GVDBMIGSSA-N 2 0 318.461 2.962 20 0 DFADRP CC(C)[C@H](C[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)[NH+]1CCCCCC1 ZINC000647791291 431687071 /nfs/dbraw/zinc/68/70/71/431687071.db2.gz BOARSGWLIFVKOK-HCXYKTFWSA-N 3 0 307.526 2.865 20 0 DFADRP c1cn(CCc2ccccc2)c(C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)n1 ZINC000647788710 431687304 /nfs/dbraw/zinc/68/73/04/431687304.db2.gz PDHARZNCYMYXAT-CEXWTWQISA-N 2 0 324.472 2.604 20 0 DFADRP CC(C)(CO)[C@H](C[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)c1ccccc1 ZINC000647791796 431687801 /nfs/dbraw/zinc/68/78/01/431687801.db2.gz MZXNSFRXLYPGNA-FCGDIQPGSA-N 2 0 316.489 2.766 20 0 DFADRP C(Cc1nc2c(s1)CCCC2)[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000647791687 431687819 /nfs/dbraw/zinc/68/78/19/431687819.db2.gz KHIMDSIZXAWSRO-MGPQQGTHSA-N 2 0 305.491 2.542 20 0 DFADRP Fc1ccc(OCCCC[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC000647788708 431688255 /nfs/dbraw/zinc/68/82/55/431688255.db2.gz PAMNKLIKUCRRBG-YQQAZPJKSA-N 2 0 306.425 2.962 20 0 DFADRP CC[C@@H]([NH2+]CCC1CC[NH2+]CC1)c1ccc2c(c1)OCCO2 ZINC000650764399 431689168 /nfs/dbraw/zinc/68/91/68/431689168.db2.gz XOBGCHVCFATTJB-MRXNPFEDSA-N 2 0 304.434 2.888 20 0 DFADRP CO[C@H](c1ccc(F)cc1)[C@H](C)[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000647794104 431689928 /nfs/dbraw/zinc/68/99/28/431689928.db2.gz REPUIUJHPWGKLQ-KTHDHXGHSA-N 2 0 306.425 2.879 20 0 DFADRP Cn1c(C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)nc2cc(Cl)ccc21 ZINC000647795827 431690231 /nfs/dbraw/zinc/69/02/31/431690231.db2.gz XGGYIAWFWBNQEH-SGMGOOAPSA-N 2 0 318.852 2.704 20 0 DFADRP Fc1cccc(N2CCCC2)c1C[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000647797028 431690957 /nfs/dbraw/zinc/69/09/57/431690957.db2.gz VJKMNPGJDULWKY-BZUAXINKSA-N 2 0 317.452 2.904 20 0 DFADRP COc1cc(CC[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)ccc1Cl ZINC000647797813 431691181 /nfs/dbraw/zinc/69/11/81/431691181.db2.gz CSSZEDUKZYFUOJ-SOUVJXGZSA-N 2 0 308.853 2.869 20 0 DFADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]CC[C@@H]1CSc2ccccc2O1 ZINC000647801466 431694054 /nfs/dbraw/zinc/69/40/54/431694054.db2.gz WKEFGJDUSJIMHE-RBSFLKMASA-N 2 0 306.475 2.908 20 0 DFADRP OC[C@H]1CCC[N@@H+]1CCCC[NH2+]Cc1cc2ccncc2s1 ZINC000657355860 431697324 /nfs/dbraw/zinc/69/73/24/431697324.db2.gz BUUVQCQXNIKNQY-OAHLLOKOSA-N 2 0 319.474 2.623 20 0 DFADRP Cc1ccc2cc(C[NH2+]CCCC[N@@H+]3CCC[C@@H]3CO)[nH]c2c1 ZINC000657356523 431699444 /nfs/dbraw/zinc/69/94/44/431699444.db2.gz NICQNESUVNTZJM-GOSISDBHSA-N 2 0 315.461 2.803 20 0 DFADRP c1cc(C[NH2+][C@@H]2C[C@H]2Cc2ccccc2)n(-c2cc[nH+]cc2)n1 ZINC000657376302 431710718 /nfs/dbraw/zinc/71/07/18/431710718.db2.gz QERSQEGSHILFRU-VQIMIIECSA-N 2 0 304.397 2.988 20 0 DFADRP C[NH2+]Cc1ccccc1C[NH2+]Cc1ccccc1OCCOC ZINC000650719153 431662321 /nfs/dbraw/zinc/66/23/21/431662321.db2.gz FZWDSJIFQKONPS-UHFFFAOYSA-N 2 0 314.429 2.721 20 0 DFADRP CO[C@@](C)(C[N@@H+]1CC[C@H](n2cnc3c2CCCC3)C1)C1CC1 ZINC000647912546 431726115 /nfs/dbraw/zinc/72/61/15/431726115.db2.gz MSCDZXPURPPAMN-YJBOKZPZSA-N 2 0 303.450 2.824 20 0 DFADRP CCOc1cccc(CC[NH2+]Cc2ccnn2-c2cc[nH+]cc2)c1 ZINC000657410798 431735574 /nfs/dbraw/zinc/73/55/74/431735574.db2.gz GPFFAZMUJYKUPT-UHFFFAOYSA-N 2 0 322.412 2.998 20 0 DFADRP CC(C)(C)[C@@H]1C[C@@H]([NH2+]Cc2ccnn2-c2cc[nH+]cc2)CCO1 ZINC000657422008 431741577 /nfs/dbraw/zinc/74/15/77/431741577.db2.gz KXZVULZNLUEHFV-YOEHRIQHSA-N 2 0 314.433 2.951 20 0 DFADRP C[N@H+]1CC=C(C[NH2+]Cc2cccc(F)c2OC(F)F)CC1 ZINC000657427501 431744022 /nfs/dbraw/zinc/74/40/22/431744022.db2.gz PHKAQOSIVWECIA-UHFFFAOYSA-N 2 0 300.324 2.779 20 0 DFADRP CCCn1nccc1C[NH2+]CC1CCN(c2cc[nH+]cc2)CC1 ZINC000657425728 431746046 /nfs/dbraw/zinc/74/60/46/431746046.db2.gz NQJIRABCHPCFPY-UHFFFAOYSA-N 2 0 313.449 2.694 20 0 DFADRP Cc1cccc(C)c1[C@H]1CCC[N@H+]1C[C@H](O)CN(C)C1CC1 ZINC000661137524 431747710 /nfs/dbraw/zinc/74/77/10/431747710.db2.gz QEQDEKHEBJACFS-QZTJIDSGSA-N 2 0 302.462 2.895 20 0 DFADRP Cc1cccc(C)c1[C@@H]1CCC[N@H+]1C[C@@H](O)CN(C)C1CC1 ZINC000661137529 431747795 /nfs/dbraw/zinc/74/77/95/431747795.db2.gz QEQDEKHEBJACFS-ROUUACIJSA-N 2 0 302.462 2.895 20 0 DFADRP COC[C@@H](C)Oc1ccc(C[NH2+]CC2(C)CC[NH+](C)CC2)cc1 ZINC000657429622 431748328 /nfs/dbraw/zinc/74/83/28/431748328.db2.gz HAQOIVMHPOPTEO-MRXNPFEDSA-N 2 0 320.477 2.922 20 0 DFADRP Cc1cnc([C@H](C)C[NH2+]Cc2ccnn2-c2cc[nH+]cc2)s1 ZINC000657434090 431750060 /nfs/dbraw/zinc/75/00/60/431750060.db2.gz FSAQXZHJGCNNQP-GFCCVEGCSA-N 2 0 313.430 2.926 20 0 DFADRP Cn1ncc(C2CCC2)c1CNCC1(C[NH+](C)C)CCCC1 ZINC000657436926 431751021 /nfs/dbraw/zinc/75/10/21/431751021.db2.gz WDAJHTJGOJBCHX-UHFFFAOYSA-N 2 0 304.482 2.899 20 0 DFADRP Cc1ccc(C[C@@H]2CCC[NH+]2C[C@@H](O)C[N@@H+](C)C(C)C)cc1 ZINC000647964001 431754408 /nfs/dbraw/zinc/75/44/08/431754408.db2.gz MIARARXXYSDPPC-OALUTQOASA-N 2 0 304.478 2.703 20 0 DFADRP Cc1ccc2c(CC[NH2+]Cc3cnc4n3CCC4)cn(C)c2c1 ZINC000657442413 431754761 /nfs/dbraw/zinc/75/47/61/431754761.db2.gz CTBHHKAMDRUCQH-UHFFFAOYSA-N 2 0 308.429 2.962 20 0 DFADRP OC[C@H]([NH2+]Cc1ccc(C[NH+]2CCCCC2)cc1)C1CCC1 ZINC000661155246 431756035 /nfs/dbraw/zinc/75/60/35/431756035.db2.gz SZIIEKBOHWDWSK-IBGZPJMESA-N 2 0 302.462 2.923 20 0 DFADRP CCC[N@H+](C[C@H](O)C[NH+](C)C(C)C)[C@@H]1C[C@@H](OCC)C1(C)C ZINC000647965028 431757088 /nfs/dbraw/zinc/75/70/88/431757088.db2.gz COTMOYJGBUNMNB-BRWVUGGUSA-N 2 0 314.514 2.603 20 0 DFADRP Cn1ncc(C2CC2)c1CNC[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000657452708 431761088 /nfs/dbraw/zinc/76/10/88/431761088.db2.gz IKTBHCYNJPHAFV-QGZVFWFLSA-N 2 0 324.472 2.909 20 0 DFADRP FC(F)(F)COCCC[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647977999 431761553 /nfs/dbraw/zinc/76/15/53/431761553.db2.gz KTYBLRFRNZYZGS-KGLIPLIRSA-N 2 0 308.388 2.667 20 0 DFADRP CC(C)N(C(=O)[C@@H](C)[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1)C(C)C ZINC000647975848 431761883 /nfs/dbraw/zinc/76/18/83/431761883.db2.gz GUIDHGNLNSQCNP-FGTMMUONSA-N 2 0 323.525 2.732 20 0 DFADRP C[C@H](C(=O)Nc1ccccc1)[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647976911 431762571 /nfs/dbraw/zinc/76/25/71/431762571.db2.gz VZVMBICPMBJRRL-IKGGRYGDSA-N 2 0 315.461 2.725 20 0 DFADRP Cc1cccc2[nH]c(C[NH2+]CCN3CC[N@@H+](C)C(C)(C)C3)cc21 ZINC000657458456 431764133 /nfs/dbraw/zinc/76/41/33/431764133.db2.gz LMJVKMVZURFOOW-UHFFFAOYSA-N 2 0 314.477 2.592 20 0 DFADRP CCO[C@H](CC[NH+](C)C)C[NH2+]Cc1cc2ccc(C)cc2[nH]1 ZINC000657388454 431720130 /nfs/dbraw/zinc/72/01/30/431720130.db2.gz BJXOARWBZVLAMY-QGZVFWFLSA-N 2 0 303.450 2.923 20 0 DFADRP COC1CCC(C[NH2+]Cc2ccnn2-c2cc[nH+]cc2)CC1 ZINC000657389451 431721635 /nfs/dbraw/zinc/72/16/35/431721635.db2.gz WJJWDQSVGFDGEQ-UHFFFAOYSA-N 2 0 300.406 2.562 20 0 DFADRP CC(C)CC[NH+]1CCC(C[NH2+]Cc2cc3n(n2)CCC3)CC1 ZINC000657391752 431723154 /nfs/dbraw/zinc/72/31/54/431723154.db2.gz YVPSZBNGPVZSLP-UHFFFAOYSA-N 2 0 304.482 2.677 20 0 DFADRP Cc1c(Br)cncc1C[NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000657504722 431790264 /nfs/dbraw/zinc/79/02/64/431790264.db2.gz LQBZMGYGBRBIGY-BJHJDKERSA-N 2 0 312.255 2.582 20 0 DFADRP C[C@@H]1CN(C)C[C@@H]1[NH2+]C[C@@H]1CCN(c2ccccc2Cl)C1 ZINC000657537468 431800935 /nfs/dbraw/zinc/80/09/35/431800935.db2.gz LZUSOBZFUBPERH-YCPHGPKFSA-N 2 0 307.869 2.706 20 0 DFADRP C[C@@H](CC[N@@H+]1CCOC2(CC[NH+](C)CC2)C1)c1ccccc1 ZINC000648072217 431807640 /nfs/dbraw/zinc/80/76/40/431807640.db2.gz RMGPTQHCUUEOGP-KRWDZBQOSA-N 2 0 302.462 2.977 20 0 DFADRP C[C@@H](CN(C)CCC[NH+](C)C)[NH2+]Cc1cc(F)cc(Cl)c1 ZINC000657573109 431814558 /nfs/dbraw/zinc/81/45/58/431814558.db2.gz JSKFXVCEAJUCDD-ZDUSSCGKSA-N 2 0 315.864 2.841 20 0 DFADRP COc1ccc(COCC[N@@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)cc1 ZINC000647986906 431766008 /nfs/dbraw/zinc/76/60/08/431766008.db2.gz PIEQTFYTNOYYKN-MSOLQXFVSA-N 2 0 318.461 2.533 20 0 DFADRP COc1ccc(COCC[N@@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)cc1 ZINC000647986907 431767373 /nfs/dbraw/zinc/76/73/73/431767373.db2.gz PIEQTFYTNOYYKN-QZTJIDSGSA-N 2 0 318.461 2.533 20 0 DFADRP CCC[C@@H]1CN(C[C@@H]2CC[NH2+]C2)CC[N@@H+]1Cc1ccccc1 ZINC000647990905 431767680 /nfs/dbraw/zinc/76/76/80/431767680.db2.gz UDNGWFRFFJGLHN-RTBURBONSA-N 2 0 301.478 2.582 20 0 DFADRP CC(C)C[N@H+](C)CCCNCc1c(C(F)(F)F)cnn1C ZINC000657499831 431787458 /nfs/dbraw/zinc/78/74/58/431787458.db2.gz DSGWCSSQSJBHRF-UHFFFAOYSA-N 2 0 306.376 2.506 20 0 DFADRP Cc1sccc1C[NH2+]Cc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1 ZINC000657595802 431821734 /nfs/dbraw/zinc/82/17/34/431821734.db2.gz KCPFIBIBUBFBJZ-GOSISDBHSA-N 2 0 316.470 2.913 20 0 DFADRP CC[C@@H]1C[C@H]([NH2+]CC2CC[NH+](Cc3ccncc3)CC2)CCO1 ZINC000657612676 431825444 /nfs/dbraw/zinc/82/54/44/431825444.db2.gz CGVOBIMCYHDVFJ-RTBURBONSA-N 2 0 317.477 2.841 20 0 DFADRP C[NH+](C)CCN(CCCc1ccccc1)C(=O)CCC(C)(C)[NH3+] ZINC000648151619 431827305 /nfs/dbraw/zinc/82/73/05/431827305.db2.gz WPCWYBPQIBCLKS-UHFFFAOYSA-N 2 0 319.493 2.527 20 0 DFADRP CCC(C)(C)[NH2+][C@H](C)C(=O)NC[C@@H](c1ccco1)[NH+]1CCCC1 ZINC000274631134 282024201 /nfs/dbraw/zinc/02/42/01/282024201.db2.gz WDBUBSNSMNDZAY-CABCVRRESA-N 2 0 321.465 2.699 20 0 DFADRP O=c1[nH]c2ccccc2cc1C[N@@H+]1C[C@@H]2C[NH+]3CCCC[C@@H]3[C@H]2C1 ZINC000363414292 289092082 /nfs/dbraw/zinc/09/20/82/289092082.db2.gz LVQWCZJZHASAEM-ZIFCJYIRSA-N 2 0 323.440 2.857 20 0 DFADRP C[N@@H+]1C[C@@H]2C[NH+](CC3CCOCC3)C[C@@H]2[C@H]1c1ccccc1 ZINC000363426936 289094345 /nfs/dbraw/zinc/09/43/45/289094345.db2.gz JEMJOUQIRAZFFE-CEXWTWQISA-N 2 0 300.446 2.648 20 0 DFADRP C[N@@H+]1C[C@@H]2C[NH+](CC3CCOCC3)C[C@H]2[C@@H]1c1ccccc1 ZINC000363426938 289094396 /nfs/dbraw/zinc/09/43/96/289094396.db2.gz JEMJOUQIRAZFFE-QRVBRYPASA-N 2 0 300.446 2.648 20 0 DFADRP C[C@@H](CCCC[NH3+])NC(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C ZINC000415788724 289138255 /nfs/dbraw/zinc/13/82/55/289138255.db2.gz MPYICVPCZJHBHG-SUMWQHHRSA-N 2 0 318.465 2.875 20 0 DFADRP C[C@H](C(=O)NC1CC[NH+](C(C)(C)C)CC1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000245200345 289348272 /nfs/dbraw/zinc/34/82/72/289348272.db2.gz AIDROUOLONDNSG-QLFBSQMISA-N 2 0 309.498 2.627 20 0 DFADRP C[NH+](C)[C@H](CNC(=O)[C@@H]1CCCC[C@@]1(C)[NH3+])C1CCCCC1 ZINC000263065402 289359676 /nfs/dbraw/zinc/35/96/76/289359676.db2.gz VWBGHRFBRYSDNM-LZLYRXPVSA-N 2 0 309.498 2.521 20 0 DFADRP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@@H]1CC[C@H](C)c2ccccc21 ZINC000247972657 289604716 /nfs/dbraw/zinc/60/47/16/289604716.db2.gz HMHQSZVHFHFYHA-FRQCXROJSA-N 2 0 301.478 2.851 20 0 DFADRP C[C@H](CNC(=O)[C@@H]([NH3+])CC1CCCCC1)C[NH+]1CCCCC1 ZINC000318720910 289675247 /nfs/dbraw/zinc/67/52/47/289675247.db2.gz HHAVBENMJLYJRI-WBVHZDCISA-N 2 0 309.498 2.522 20 0 DFADRP C[C@H]([NH2+]CC1CC[NH+](CCO)CC1)C(C)(C)c1ccccc1 ZINC000151794348 289948211 /nfs/dbraw/zinc/94/82/11/289948211.db2.gz ITODZUPPWONOCR-INIZCTEOSA-N 2 0 304.478 2.647 20 0 DFADRP C[C@H]1CCCC[N@@H+]1CCC1CC[NH+](C[C@]2(C)CC[NH2+]C2)CC1 ZINC000262112472 290384773 /nfs/dbraw/zinc/38/47/73/290384773.db2.gz WQABEFSJJPMPGR-PKOBYXMFSA-N 3 0 307.526 2.963 20 0 DFADRP CC[NH+]1CCN([C@H](C)C[NH2+][C@H]2CC[C@@H](c3ccccc3)C2)CC1 ZINC000436287668 296996239 /nfs/dbraw/zinc/99/62/39/296996239.db2.gz JKEXUKSCNGBDNZ-RLLQIKCJSA-N 2 0 315.505 2.938 20 0 DFADRP CC[NH+](CC)CCOCC[NH2+]Cc1cc2c(cccc2F)[nH]1 ZINC000436401126 297001376 /nfs/dbraw/zinc/00/13/76/297001376.db2.gz NSIPPHRQUDVIQX-UHFFFAOYSA-N 2 0 307.413 2.755 20 0 DFADRP CC(C)Cn1ccnc1C[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000436472293 297004988 /nfs/dbraw/zinc/00/49/88/297004988.db2.gz ZLSRHWSRHVRDAI-UHFFFAOYSA-N 2 0 313.449 2.693 20 0 DFADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CC(C)(C)OCC)[C@H](C)C1 ZINC000437087239 297054177 /nfs/dbraw/zinc/05/41/77/297054177.db2.gz UTSQPZJZSIMVKB-HZPDHXFCSA-N 2 0 300.487 2.528 20 0 DFADRP C[NH+](C)CC1CC[NH+](Cc2c[nH]nc2-c2ccsc2)CC1 ZINC000437586513 297064898 /nfs/dbraw/zinc/06/48/98/297064898.db2.gz YGDCEHXAGMAFDH-UHFFFAOYSA-N 2 0 304.463 2.912 20 0 DFADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CCC[NH+]1C1CCCCC1 ZINC000437848975 297072007 /nfs/dbraw/zinc/07/20/07/297072007.db2.gz XILHEGPOVKHPFS-ZWKOTPCHSA-N 2 0 321.509 2.774 20 0 DFADRP CC[N@@H+]1CCCC[C@H]1C(=O)NC[C@H]1CCC[NH+]1C1CCCCC1 ZINC000437855603 297072423 /nfs/dbraw/zinc/07/24/23/297072423.db2.gz YORKRMSGBTVQJI-MSOLQXFVSA-N 2 0 321.509 2.774 20 0 DFADRP C[N@H+](CC[C@H]1CCOC1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000438112031 297081072 /nfs/dbraw/zinc/08/10/72/297081072.db2.gz YCFXZFIMGGMXDU-RBUKOAKNSA-N 2 0 302.462 2.867 20 0 DFADRP C[C@H](C[C@H](C)[NH2+][C@@H](C)CC[NH+](C)C)NC(=O)OC(C)(C)C ZINC000494362242 299866522 /nfs/dbraw/zinc/86/65/22/299866522.db2.gz GNBAPWCYRHLRGZ-MELADBBJSA-N 2 0 301.475 2.608 20 0 DFADRP O=C(CC[C@H]1CCC[NH2+]1)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000494680619 299879394 /nfs/dbraw/zinc/87/93/94/299879394.db2.gz IOWCXNRYRCHOIJ-QZTJIDSGSA-N 2 0 321.509 2.633 20 0 DFADRP CC[N@H+](CC(=O)N1CCC(CCC[NH+]2CCCC2)CC1)C1CC1 ZINC000154012377 295290096 /nfs/dbraw/zinc/29/00/96/295290096.db2.gz DCECLUDSDSJFMO-UHFFFAOYSA-N 2 0 321.509 2.585 20 0 DFADRP C[C@H]([NH2+]CCCC[NH+]1CCN(C)CC1)c1cc(F)ccc1F ZINC000154350159 295298234 /nfs/dbraw/zinc/29/82/34/295298234.db2.gz QQTZDCSXZMUKCV-AWEZNQCLSA-N 2 0 311.420 2.643 20 0 DFADRP C[C@H]([NH2+]CCCC[NH+]1CCN(C)CC1)c1ccc(F)cc1F ZINC000154362963 295298637 /nfs/dbraw/zinc/29/86/37/295298637.db2.gz JUUGQNWXCMMNOO-AWEZNQCLSA-N 2 0 311.420 2.643 20 0 DFADRP C[C@@H](CN1CC[NH+](C)CC1)[NH2+][C@H]1CCSc2ccc(F)cc21 ZINC000154887806 295308617 /nfs/dbraw/zinc/30/86/17/295308617.db2.gz MBWBHWCYISMVNB-BBRMVZONSA-N 2 0 323.481 2.588 20 0 DFADRP C[C@H]1C[C@H](NC2CC[NH+](C3CCCCC3)CC2)C[N@@H+]1C1CC1 ZINC000157547533 295350047 /nfs/dbraw/zinc/35/00/47/295350047.db2.gz YOVJSIVZEPOSLO-RDJZCZTQSA-N 2 0 305.510 2.998 20 0 DFADRP C[C@H]1C[NH+](CCCC[N@H+]2C[C@H](C)OC(C)(C)C2)CC(C)(C)O1 ZINC000157647536 295351723 /nfs/dbraw/zinc/35/17/23/295351723.db2.gz FTQWBDFEECVNCO-HOTGVXAUSA-N 2 0 312.498 2.765 20 0 DFADRP COc1ccc([C@H](C)[NH2+]C[C@H]2CCC[N@H+](C)C2)cc1NC(C)=O ZINC000158217553 295360231 /nfs/dbraw/zinc/36/02/31/295360231.db2.gz SLPIWHPDRJSDDO-DZGCQCFKSA-N 2 0 319.449 2.646 20 0 DFADRP Fc1ccccc1C[NH+]1CCC(CC[NH+]2CCOCC2)CC1 ZINC000363679566 295433652 /nfs/dbraw/zinc/43/36/52/295433652.db2.gz VUMYXVLRGHOSDF-UHFFFAOYSA-N 2 0 306.425 2.760 20 0 DFADRP CC1=C[C@H](C)C[C@H](C[NH2+][C@@H]2CCN(C3CC[NH+](C)CC3)C2)C1 ZINC000368088313 295456803 /nfs/dbraw/zinc/45/68/03/295456803.db2.gz GJRUCLSDMIAWKF-RYQLBKOJSA-N 2 0 305.510 2.737 20 0 DFADRP [NH3+]CC1(O)CC[NH+](Cc2sc3ccccc3c2Cl)CC1 ZINC000397116810 295486485 /nfs/dbraw/zinc/48/64/85/295486485.db2.gz VXSKLZJFYAIHKS-UHFFFAOYSA-N 2 0 310.850 2.840 20 0 DFADRP C[C@@H]([NH2+]CC1(O)CC[NH+](Cc2ccccc2)CC1)c1ccco1 ZINC000397497557 295488047 /nfs/dbraw/zinc/48/80/47/295488047.db2.gz FRKMQQRLRUWWPW-MRXNPFEDSA-N 2 0 314.429 2.957 20 0 DFADRP [NH3+]C[C@H]1CCC[C@@H]1[NH2+]CC1CC[NH+](Cc2ccccc2)CC1 ZINC000397636181 295488222 /nfs/dbraw/zinc/48/82/22/295488222.db2.gz PZKPHRXUWIHJQB-MOPGFXCFSA-N 3 0 301.478 2.616 20 0 DFADRP C[C@@H]([NH2+]CCCC[NH+](C)C)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000400748223 295498771 /nfs/dbraw/zinc/49/87/71/295498771.db2.gz UWLXTCQJHLDEMW-CABCVRRESA-N 2 0 313.486 2.563 20 0 DFADRP COc1ccc([C@H](C)[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)cc1OC ZINC000400972683 295498952 /nfs/dbraw/zinc/49/89/52/295498952.db2.gz PZOSCFULIGSYAB-QCEMKRCNSA-N 2 0 304.434 2.743 20 0 DFADRP CNC(=O)[C@H]([NH2+]Cc1cccc(C[NH+]2CCCCC2)c1)C(C)C ZINC000411468050 295541582 /nfs/dbraw/zinc/54/15/82/295541582.db2.gz FDBXWLNTWXUZMU-GOSISDBHSA-N 2 0 317.477 2.533 20 0 DFADRP CC[NH+]1CCC(NC(=O)C[NH2+][C@@H]2CCCCC23CCCC3)CC1 ZINC000411743443 295556845 /nfs/dbraw/zinc/55/68/45/295556845.db2.gz IOBGQRKMLCXQAM-QGZVFWFLSA-N 2 0 321.509 2.680 20 0 DFADRP CC(C)[NH+]1CCC(NC(=O)C[NH2+][C@@]2(C)CCCC[C@H]2C)CC1 ZINC000411813301 295560480 /nfs/dbraw/zinc/56/04/80/295560480.db2.gz DSCYLZZSDQMTSW-QAPCUYQASA-N 2 0 309.498 2.534 20 0 DFADRP C[C@@H](CNC(=O)c1cccc(C[NH+]2CCCCC2)c1)C[NH+](C)C ZINC000412355257 295615373 /nfs/dbraw/zinc/61/53/73/295615373.db2.gz DEBVLANUEAULFU-INIZCTEOSA-N 2 0 317.477 2.600 20 0 DFADRP c1csc(C[NH+]2CCC(C[NH2+]CC[C@@H]3CCOC3)CC2)c1 ZINC000438206441 297084818 /nfs/dbraw/zinc/08/48/18/297084818.db2.gz JFZRPFWDYXQVFT-MRXNPFEDSA-N 2 0 308.491 2.976 20 0 DFADRP CC(C)[N@@H+]1CCC[C@@H](CNC(=O)[C@H]2CCC[NH+]2C2CCCC2)C1 ZINC000438567814 297099262 /nfs/dbraw/zinc/09/92/62/297099262.db2.gz OIZVTBVDGZKFIB-FUHWJXTLSA-N 2 0 321.509 2.630 20 0 DFADRP CC(C)C[NH+]1CCC(NC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC000439934750 297141039 /nfs/dbraw/zinc/14/10/39/297141039.db2.gz SGDYYONZWSWZRA-SFHVURJKSA-N 2 0 321.509 2.630 20 0 DFADRP COC(=O)CC1(C[NH2+][C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)CC1 ZINC000440498652 297154670 /nfs/dbraw/zinc/15/46/70/297154670.db2.gz ZHTJPVQDXSVZLW-HUUCEWRRSA-N 2 0 308.466 2.572 20 0 DFADRP C/C(=C/c1ccccc1)C[NH2+]CCN1CC[N@@H+](C)C(C)(C)C1 ZINC000441334637 297180014 /nfs/dbraw/zinc/18/00/14/297180014.db2.gz OKYJQNIKFKGKGR-VKAVYKQESA-N 2 0 301.478 2.706 20 0 DFADRP C[N@@H+]1CCN(CC[NH2+]Cc2cc3cc(F)ccc3o2)CC1(C)C ZINC000441369504 297181091 /nfs/dbraw/zinc/18/10/91/297181091.db2.gz VKAKEZKZBDNSSQ-UHFFFAOYSA-N 2 0 319.424 2.688 20 0 DFADRP C[C@H]1C[C@H](C[NH3+])C[N@@H+]1CCOc1ccc(C(F)(F)F)cc1 ZINC000442773855 297205570 /nfs/dbraw/zinc/20/55/70/297205570.db2.gz DHEFSXWZFWDGNR-NWDGAFQWSA-N 2 0 302.340 2.753 20 0 DFADRP CCOc1c(OC)cc(C[N@@H+]2CCC[C@@H](CC[NH3+])C2)cc1OC ZINC000442922279 297211287 /nfs/dbraw/zinc/21/12/87/297211287.db2.gz KEMKEVLCDHGHDB-AWEZNQCLSA-N 2 0 322.449 2.663 20 0 DFADRP [NH3+]CC[C@@H]1CCC[N@H+](CCCc2nc(-c3ccccc3)no2)C1 ZINC000443058153 297213913 /nfs/dbraw/zinc/21/39/13/297213913.db2.gz JMDFMLVQPZGFQJ-HNNXBMFYSA-N 2 0 314.433 2.730 20 0 DFADRP Cc1cccc(-c2noc(C[N@@H+]3CCC[C@@H](CC[NH3+])C3)n2)c1 ZINC000443064117 297214227 /nfs/dbraw/zinc/21/42/27/297214227.db2.gz BSCHYGTYXYXXOV-AWEZNQCLSA-N 2 0 300.406 2.606 20 0 DFADRP COc1ccc(-c2cnc(C[N@@H+]3CCC[C@H](CC[NH3+])C3)o2)cc1 ZINC000443063098 297214401 /nfs/dbraw/zinc/21/44/01/297214401.db2.gz VUYBJARZHHWGDP-CQSZACIVSA-N 2 0 315.417 2.911 20 0 DFADRP [NH3+]CC[C@@H]1CCC[N@@H+]([C@H]2CCN(c3ccc(Cl)cc3)C2=O)C1 ZINC000443065989 297214723 /nfs/dbraw/zinc/21/47/23/297214723.db2.gz DDAJYNJWHISNPI-BBRMVZONSA-N 2 0 321.852 2.506 20 0 DFADRP CC1(C)CCC[N@H+](CCNC(=O)[C@@H]2CCC[NH+]2C2CCCC2)C1 ZINC000444626624 297242437 /nfs/dbraw/zinc/24/24/37/297242437.db2.gz AFJXMALODLUMDF-KRWDZBQOSA-N 2 0 321.509 2.632 20 0 DFADRP C[C@@H](CC(=O)N1CCCCCC1)[NH2+]CC1CC[NH+](C2CC2)CC1 ZINC000446885427 297289728 /nfs/dbraw/zinc/28/97/28/297289728.db2.gz VKSULWMURWNEKC-INIZCTEOSA-N 2 0 321.509 2.632 20 0 DFADRP C[NH+](C)Cc1ccsc1C(=O)NCC[N@H+](C)C1CCCCC1 ZINC000446969843 297291897 /nfs/dbraw/zinc/29/18/97/297291897.db2.gz RDCDXOFBVCPAFU-UHFFFAOYSA-N 2 0 323.506 2.804 20 0 DFADRP Cc1ccc(OC(F)F)c([C@@H](C)[NH2+]CCOCC[NH+](C)C)c1 ZINC000447591658 297310014 /nfs/dbraw/zinc/31/00/14/297310014.db2.gz DZVCXZHJHWYGGU-CYBMUJFWSA-N 2 0 316.392 2.825 20 0 DFADRP COc1ccc2c(c1)C(C)(C)C[C@H]2[NH2+]CCOCC[NH+](C)C ZINC000447597798 297310247 /nfs/dbraw/zinc/31/02/47/297310247.db2.gz GZEIXDMJRLUXJE-QGZVFWFLSA-N 2 0 306.450 2.585 20 0 DFADRP Cc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+]CCOCC[NH+](C)C)CC3 ZINC000447597819 297310362 /nfs/dbraw/zinc/31/03/62/297310362.db2.gz TVZUEVZYCAERPN-OAHLLOKOSA-N 2 0 315.461 2.501 20 0 DFADRP C[NH+](C)CCOCC[NH2+][C@H]1CCC[C@@H]1CCc1ccccc1 ZINC000447603839 297310603 /nfs/dbraw/zinc/31/06/03/297310603.db2.gz XZQOOQPRAICZRL-MOPGFXCFSA-N 2 0 304.478 2.956 20 0 DFADRP CC[NH+]1CCN(CCC[NH2+]Cc2ncc(C(C)(C)C)s2)CC1 ZINC000447940189 297326126 /nfs/dbraw/zinc/32/61/26/297326126.db2.gz AYEHZCGITCWIHD-UHFFFAOYSA-N 2 0 324.538 2.558 20 0 DFADRP CC[C@@H]1CCC[C@H]1C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C ZINC000448972703 297385015 /nfs/dbraw/zinc/38/50/15/297385015.db2.gz UZXDVGGHBJGOJE-IAGOWNOFSA-N 2 0 311.514 2.545 20 0 DFADRP Cc1cc(C[N@@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@@H](C)C2)cs1 ZINC000449036595 297395327 /nfs/dbraw/zinc/39/53/27/297395327.db2.gz KOLJRMBETLQFMY-WMLDXEAASA-N 2 0 307.507 2.514 20 0 DFADRP Cc1cc(C[N@@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@H](C)C2)cs1 ZINC000449036594 297395468 /nfs/dbraw/zinc/39/54/68/297395468.db2.gz KOLJRMBETLQFMY-RHSMWYFYSA-N 2 0 307.507 2.514 20 0 DFADRP C[NH+](C)CCN1CCC([NH2+]Cc2cccc3ccoc32)CC1 ZINC000449072679 297400583 /nfs/dbraw/zinc/40/05/83/297400583.db2.gz GFNRHVVPFJLMJN-UHFFFAOYSA-N 2 0 301.434 2.548 20 0 DFADRP CC[C@@H]([NH2+]Cc1ccnc(N2CC[NH+](C)CC2)c1)C1CCC1 ZINC000449082615 297402425 /nfs/dbraw/zinc/40/24/25/297402425.db2.gz OONCVDBWZBVBFT-QGZVFWFLSA-N 2 0 302.466 2.502 20 0 DFADRP CC[C@H]([NH2+]Cc1ccnc(N2CC[NH+](C)CC2)c1)C1CCC1 ZINC000449082614 297402598 /nfs/dbraw/zinc/40/25/98/297402598.db2.gz OONCVDBWZBVBFT-KRWDZBQOSA-N 2 0 302.466 2.502 20 0 DFADRP C[NH2+][C@H](CC(C)(C)C)C(=O)NC[C@H](c1ccc(F)cc1)[NH+](C)C ZINC000449096210 297404691 /nfs/dbraw/zinc/40/46/91/297404691.db2.gz FQHSEHMEGFOGSN-HZPDHXFCSA-N 2 0 323.456 2.569 20 0 DFADRP C[C@@H]1CC[C@@H](C)[C@H]([NH2+]C2CCN(C3CC[NH+](C)CC3)CC2)C1 ZINC000449104597 297405913 /nfs/dbraw/zinc/40/59/13/297405913.db2.gz ANHMVKAGAUDFKO-GPMSIDNRSA-N 2 0 307.526 2.959 20 0 DFADRP OCC[NH+]1CCC(C[NH2+]C2CCC(OC3CCCC3)CC2)CC1 ZINC000449125053 297409376 /nfs/dbraw/zinc/40/93/76/297409376.db2.gz ROOJAJSUSZLUNT-UHFFFAOYSA-N 2 0 324.509 2.551 20 0 DFADRP COCC1CCC([NH2+]C2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)CC1 ZINC000449181544 297418826 /nfs/dbraw/zinc/41/88/26/297418826.db2.gz ABJAIHZGWOJDNF-VHZYLWGESA-N 2 0 324.509 2.549 20 0 DFADRP CC[NH+]1CCN(CCC[NH2+]C2CCC(CSC)CC2)CC1 ZINC000449221210 297424886 /nfs/dbraw/zinc/42/48/86/297424886.db2.gz SOSPEEXTBWMODI-UHFFFAOYSA-N 2 0 313.555 2.525 20 0 DFADRP [NH3+][C@@H]1CCCC[C@@H]1CC(=O)N1CC[NH+](CC2CCCCC2)CC1 ZINC000449319921 297444726 /nfs/dbraw/zinc/44/47/26/297444726.db2.gz HIZICZVIPSKLID-QZTJIDSGSA-N 2 0 321.509 2.619 20 0 DFADRP C[NH2+][C@H](CC(C)(C)C)C(=O)NC[C@H](C1CCCCC1)[NH+](C)C ZINC000449322339 297445680 /nfs/dbraw/zinc/44/56/80/297445680.db2.gz XBLUSXRYNZZGHG-HZPDHXFCSA-N 2 0 311.514 2.637 20 0 DFADRP CC[NH+]1CCN(CC(C)(C)[NH2+]C[C@H]2C(C)=CCC[C@@H]2C)CC1 ZINC000449747494 297526323 /nfs/dbraw/zinc/52/63/23/297526323.db2.gz XGMOJRVAPRWMFV-ROUUACIJSA-N 2 0 307.526 2.985 20 0 DFADRP FC1(F)CC(C[NH+]2CCC(OCC[NH+]3CCCC3)CC2)C1 ZINC000450448963 297632941 /nfs/dbraw/zinc/63/29/41/297632941.db2.gz CZIALMKXMDDUMU-UHFFFAOYSA-N 2 0 302.409 2.609 20 0 DFADRP CC[NH+](CC)CCOC1CC[NH+](CCc2cscn2)CC1 ZINC000450452413 297633154 /nfs/dbraw/zinc/63/31/54/297633154.db2.gz MQHRSRFZGWGOOA-UHFFFAOYSA-N 2 0 311.495 2.508 20 0 DFADRP COc1cc(C[NH2+]CCOCC[NH+](C)C)cc2ccccc21 ZINC000451155321 297756783 /nfs/dbraw/zinc/75/67/83/297756783.db2.gz OGRSILOBZFQQCV-UHFFFAOYSA-N 2 0 302.418 2.516 20 0 DFADRP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@H](C2CC2)C2CCCC2)CC1 ZINC000453115227 298063390 /nfs/dbraw/zinc/06/33/90/298063390.db2.gz WUJUCRKSMNQMOL-APWZRJJASA-N 2 0 307.526 2.818 20 0 DFADRP OC1(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@H]3CCC[C@H]32)CCC1 ZINC000453122627 298064878 /nfs/dbraw/zinc/06/48/78/298064878.db2.gz YDLWWNQWWZYIAR-OTWHNJEPSA-N 2 0 314.473 2.934 20 0 DFADRP C[C@H](Cc1cnccn1)[NH2+][C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000453198197 298070741 /nfs/dbraw/zinc/07/07/41/298070741.db2.gz OUTRZNVOWXXHAO-PMPSAXMXSA-N 2 0 302.466 2.650 20 0 DFADRP COc1ccc2c(c1)C[C@H]([NH2+]CC[C@@H](C)[NH+]1CCCCC1)CO2 ZINC000453195960 298071087 /nfs/dbraw/zinc/07/10/87/298071087.db2.gz QJRXGGHCYBIYKR-WBVHZDCISA-N 2 0 318.461 2.853 20 0 DFADRP C[C@H]([NH2+][C@H]1CCOC1(C)C)c1cccc(OCC[NH+](C)C)c1 ZINC000453298260 298081068 /nfs/dbraw/zinc/08/10/68/298081068.db2.gz SFLKYVHMBXSGFV-YOEHRIQHSA-N 2 0 306.450 2.845 20 0 DFADRP CO[C@@H]1CCC[C@H]1[NH2+][C@@H](C)c1ccc(OCC[NH+](C)C)cc1 ZINC000453332665 298083801 /nfs/dbraw/zinc/08/38/01/298083801.db2.gz VKCPXGXKVQMKSD-BMGDILEWSA-N 2 0 306.450 2.845 20 0 DFADRP C[N@@H+]1CC[C@H]([NH2+][C@@H]2CCO[C@H](c3ccncc3)C2)[C@H]2CCC[C@@H]21 ZINC000453335013 298084255 /nfs/dbraw/zinc/08/42/55/298084255.db2.gz FEISPFPRYZCSIK-GFEQUFNTSA-N 2 0 315.461 2.764 20 0 DFADRP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+]CCCC[N@@H+](C)C1CC1 ZINC000453598754 298103440 /nfs/dbraw/zinc/10/34/40/298103440.db2.gz QFGHOTLPMATYQH-UHFFFAOYSA-N 3 0 313.449 2.540 20 0 DFADRP CC(C)n1ncc2cc(C[NH2+]CCCC[N@H+](C)C3CC3)cnc21 ZINC000453602557 298103624 /nfs/dbraw/zinc/10/36/24/298103624.db2.gz WVAWUTAAGLUZCL-UHFFFAOYSA-N 2 0 315.465 2.976 20 0 DFADRP C[N@H+](CCCC[NH2+]Cc1cc(-n2ccnc2)cs1)C1CC1 ZINC000453600234 298103699 /nfs/dbraw/zinc/10/36/99/298103699.db2.gz SARLFCGTKQXCDQ-UHFFFAOYSA-N 2 0 304.463 2.898 20 0 DFADRP C[NH+](C)[C@H]1CCc2cc(NC(=O)C34CCC[NH+]3CCC4)ccc21 ZINC000456344099 298501286 /nfs/dbraw/zinc/50/12/86/298501286.db2.gz ZURNSRKBDATZHB-KRWDZBQOSA-N 2 0 313.445 2.802 20 0 DFADRP CC[C@@H]([NH2+]C[C@@H]([NH3+])C(C)C)[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000496050307 300012377 /nfs/dbraw/zinc/01/23/77/300012377.db2.gz SXYQBRPNMZUSNJ-RBSFLKMASA-N 2 0 313.486 2.737 20 0 DFADRP C[C@H]([NH2+][C@H]1CCCC[C@@H]1C[NH3+])c1cccc(N2CCOC2=O)c1 ZINC000496972113 300140563 /nfs/dbraw/zinc/14/05/63/300140563.db2.gz BFSXHUBLADMNDM-LXZKKBNFSA-N 2 0 317.433 2.811 20 0 DFADRP CC(C)[N@@H+]1CCC[C@@H](C[NH2+]CCCNC(=O)OC(C)(C)C)C1 ZINC000497012121 300146943 /nfs/dbraw/zinc/14/69/43/300146943.db2.gz AEUYRKSJACSFAZ-HNNXBMFYSA-N 2 0 313.486 2.611 20 0 DFADRP CC[C@H](C[NH2+][C@@H]1CC[N@H+](CC)C[C@@H]1C)NC(=O)OC(C)(C)C ZINC000497157761 300170356 /nfs/dbraw/zinc/17/03/56/300170356.db2.gz DNXRTLZBULUUBK-RRFJBIMHSA-N 2 0 313.486 2.610 20 0 DFADRP C[NH+](C)CCC[N@H+](C)C[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000497304379 300188732 /nfs/dbraw/zinc/18/87/32/300188732.db2.gz LQYDDCPKBIMHTG-OAHLLOKOSA-N 2 0 313.486 2.517 20 0 DFADRP CCC[C@@H](C)[NH+]1CCN(c2ccccc2OCC[NH+](C)C)CC1 ZINC000500994442 300210045 /nfs/dbraw/zinc/21/00/45/300210045.db2.gz UFUQOAWNCLDUDU-QGZVFWFLSA-N 2 0 319.493 2.938 20 0 DFADRP CC[NH+](CC)CC1CC[NH+](Cc2cnn(CC(F)F)c2)CC1 ZINC000507210366 300234010 /nfs/dbraw/zinc/23/40/10/300234010.db2.gz KRGSEVGZLUBCTA-UHFFFAOYSA-N 2 0 314.424 2.702 20 0 DFADRP C/C(=C/c1ccc(Cl)cc1)C[NH2+]C[C@H](C)N1CC[NH+](C)CC1 ZINC000513500541 300257960 /nfs/dbraw/zinc/25/79/60/300257960.db2.gz NAHGPFCBTHWFRL-IRVMHKCDSA-N 2 0 321.896 2.969 20 0 DFADRP CC[C@H](C[N@@H+]1CC[C@H](N2CC[NH+](CC)CC2)C1)c1ccccc1 ZINC000513479639 300258159 /nfs/dbraw/zinc/25/81/59/300258159.db2.gz PBWMXQVBKHZLSC-QUCCMNQESA-N 2 0 315.505 2.892 20 0 DFADRP C[NH+](C)CC[C@H]([NH2+]CCC(=O)Nc1ccccc1)C(C)(C)C ZINC000514669115 300265660 /nfs/dbraw/zinc/26/56/60/300265660.db2.gz TZZOKMOPNZABJK-INIZCTEOSA-N 2 0 305.466 2.971 20 0 DFADRP FC(F)(F)CN1CC[C@H]([NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)C1 ZINC000515053403 300286995 /nfs/dbraw/zinc/28/69/95/300286995.db2.gz YBQXGQGBKKWNDA-LJISPDSOSA-N 2 0 319.415 2.523 20 0 DFADRP Cc1nn(-c2ccccc2)cc1CCC[NH2+][C@H]1CCC[C@H]([NH3+])C1 ZINC000515074776 300289445 /nfs/dbraw/zinc/28/94/45/300289445.db2.gz YHVJTXMGJJNURU-ROUUACIJSA-N 2 0 312.461 2.973 20 0 DFADRP C[C@H](C[NH2+][C@@H](C)[C@@H]1CCC[NH2+]C1)c1nc(-c2ccccc2)no1 ZINC000516861496 300363978 /nfs/dbraw/zinc/36/39/78/300363978.db2.gz QHWKOUNODQQUCN-IJEWVQPXSA-N 2 0 314.433 2.818 20 0 DFADRP C[C@H]([NH2+]Cc1ccnc(OCC(F)(F)F)c1)[C@@H]1CCC[NH2+]C1 ZINC000516958018 300372983 /nfs/dbraw/zinc/37/29/83/300372983.db2.gz SDIHSFZOFTYPTJ-WCQYABFASA-N 2 0 317.355 2.500 20 0 DFADRP CC[NH2+]CCCNc1cc(N[C@H]2CCCO[C@@H]2C(C)C)ncn1 ZINC000517020333 300377558 /nfs/dbraw/zinc/37/75/58/300377558.db2.gz ZDOHVYHSVAGTLO-WMLDXEAASA-N 2 0 321.469 2.504 20 0 DFADRP CC1CC[NH+](C[C@@H]2CCC[N@H+](C[C@@H]3CCCC[C@@H]3O)C2)CC1 ZINC000517032825 300379362 /nfs/dbraw/zinc/37/93/62/300379362.db2.gz CGDGNJGKWMFUMP-FHWLQOOXSA-N 2 0 308.510 2.981 20 0 DFADRP OC1(C[NH2+]CC2CC[NH+](Cc3cccs3)CC2)CCCC1 ZINC000517732311 300404777 /nfs/dbraw/zinc/40/47/77/300404777.db2.gz BFROBWIRGHIYIA-UHFFFAOYSA-N 2 0 308.491 2.855 20 0 DFADRP CC[NH+]1CCN(c2ccc(C[NH2+][C@@H]3CC=C(C)CC3)cn2)CC1 ZINC000519007073 300441227 /nfs/dbraw/zinc/44/12/27/300441227.db2.gz DOIQXCBATQMERR-GOSISDBHSA-N 2 0 314.477 2.812 20 0 DFADRP CC(C)(CNC(=O)Nc1ccc2c(c1)C[NH2+]C2)[NH+]1CCCCC1 ZINC000519528458 300455924 /nfs/dbraw/zinc/45/59/24/300455924.db2.gz CIXDSNGGJDUDSW-UHFFFAOYSA-N 2 0 316.449 2.676 20 0 DFADRP CCOC(=O)C1(C)CCC([NH2+]CC2CC[NH+](CC)CC2)CC1 ZINC000519585001 300460586 /nfs/dbraw/zinc/46/05/86/300460586.db2.gz XRTDFRVHDWJJKV-UHFFFAOYSA-N 2 0 310.482 2.820 20 0 DFADRP C[C@H]1C[C@H](C)C[NH+](Cc2ccccc2CNC(=O)C(C)(C)[NH3+])C1 ZINC000164843820 300482634 /nfs/dbraw/zinc/48/26/34/300482634.db2.gz OKMYERLYPBWMCU-GJZGRUSLSA-N 2 0 317.477 2.518 20 0 DFADRP Cc1c([C@@H](C)[NH2+]CCC2=CC[NH2+]CC2)nnn1-c1ccccc1 ZINC000521026793 300515531 /nfs/dbraw/zinc/51/55/31/300515531.db2.gz OWAAZWOYSZLDIL-CQSZACIVSA-N 2 0 311.433 2.536 20 0 DFADRP C/C(=C/c1ccccc1)C[NH2+]CCCC[NH+]1CCN(C)CC1 ZINC000521815984 300536805 /nfs/dbraw/zinc/53/68/05/300536805.db2.gz HKOZMEKDILCATF-VLGSPTGOSA-N 2 0 301.478 2.707 20 0 DFADRP CC(=O)N1CC[C@H]([NH2+]Cc2ccc(C[NH3+])cc2)c2ccccc2C1 ZINC000521876318 300539372 /nfs/dbraw/zinc/53/93/72/300539372.db2.gz XQXZCKGBXINRHQ-FQEVSTJZSA-N 2 0 323.440 2.728 20 0 DFADRP C[C@@H]([NH2+]CC1(N2CCCCC2)CC[NH+](C)CC1)[C@@H]1C[C@H]1C1CC1 ZINC000527665514 300669226 /nfs/dbraw/zinc/66/92/26/300669226.db2.gz JIRSXVIHVFDDMT-NEWSRXKRSA-N 2 0 319.537 2.961 20 0 DFADRP CC[NH+](CC)CC1CC[NH+](Cc2cc(CO)ccc2F)CC1 ZINC000528352667 300774733 /nfs/dbraw/zinc/77/47/33/300774733.db2.gz RHHILEXFKQQBAD-UHFFFAOYSA-N 2 0 308.441 2.872 20 0 DFADRP O=C(NC[C@@H]1CC[N@@H+]1C1CCCC1)[C@@H]1CCC[NH+]1C1CCCC1 ZINC000530024876 301006291 /nfs/dbraw/zinc/00/62/91/301006291.db2.gz YBBUOLKQMGCWRY-ROUUACIJSA-N 2 0 319.493 2.527 20 0 DFADRP C[C@H](CCc1ccc2c(c1)OCO2)[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000530178651 301026195 /nfs/dbraw/zinc/02/61/95/301026195.db2.gz PKNPHRQYZMPUIV-CXAGYDPISA-N 2 0 302.418 2.611 20 0 DFADRP C[C@@H]1CCC[C@@H]([NH+]2CCC(N[C@H]3CC[NH2+]C34CCC4)CC2)C1 ZINC000530178752 301026475 /nfs/dbraw/zinc/02/64/75/301026475.db2.gz NLVSRKNJTQMPIN-NXHRZFHOSA-N 2 0 305.510 2.904 20 0 DFADRP C[C@]1(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)COc2ccccc2O1 ZINC000530214258 301029419 /nfs/dbraw/zinc/02/94/19/301029419.db2.gz WLPDGJKZFVEREC-GGXPGOJBSA-N 2 0 316.445 2.727 20 0 DFADRP CO[C@@H](C[NH+]1CCC([C@@H]2CC[NH2+]C2)CC1)c1ccc(F)cc1 ZINC000530218380 301030624 /nfs/dbraw/zinc/03/06/24/301030624.db2.gz FSUCFHGFFXTSDK-AEFFLSMTSA-N 2 0 306.425 2.835 20 0 DFADRP Cc1cc(F)ccc1C[NH+]1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000530248302 301033759 /nfs/dbraw/zinc/03/37/59/301033759.db2.gz IMDLNMRNDFARBR-SFHVURJKSA-N 2 0 306.425 2.725 20 0 DFADRP C(=C\c1ccccc1)\C[NH+]1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000530249308 301034219 /nfs/dbraw/zinc/03/42/19/301034219.db2.gz VAHNYLFITLJXBG-BQHGXPCASA-N 2 0 300.446 2.790 20 0 DFADRP c1ccc2c(N[C@H]3CCCC[C@@H]3[NH+]3CCOCC3)cc[nH+]c2c1 ZINC000531656903 301102860 /nfs/dbraw/zinc/10/28/60/301102860.db2.gz WFSMYZYLIVKTTK-OALUTQOASA-N 2 0 311.429 2.712 20 0 DFADRP CCN(CC)C(=O)C[C@@H](C)[NH2+]CCCC[N@@H+]1CCC[C@H](C)C1 ZINC000531681427 301103762 /nfs/dbraw/zinc/10/37/62/301103762.db2.gz XDRQBSVLPQYTNX-DLBZAZTESA-N 2 0 311.514 2.735 20 0 DFADRP CC[NH+]1CCN(CCC[NH2+][C@@H](C)c2ccc(C)cc2OC)CC1 ZINC000531687246 301104210 /nfs/dbraw/zinc/10/42/10/301104210.db2.gz WJFIWXBSKFIUGD-KRWDZBQOSA-N 2 0 319.493 2.682 20 0 DFADRP C[C@H]([NH2+]CCN1CC[C@@H](C)C1)c1ccc(OCC[NH+](C)C)cc1 ZINC000531728697 301106434 /nfs/dbraw/zinc/10/64/34/301106434.db2.gz FCYUWWZRZXLFBZ-SJORKVTESA-N 2 0 319.493 2.619 20 0 DFADRP C[C@@H]([NH2+]CC1CC[NH+](CC(=O)NC(C)(C)C)CC1)c1ccoc1 ZINC000531979154 301122428 /nfs/dbraw/zinc/12/24/28/301122428.db2.gz OATUWEYKHMTDIL-CQSZACIVSA-N 2 0 321.465 2.557 20 0 DFADRP C[C@@H](CN1CC[NH+](C)CC1)[NH2+][C@@H]1CCc2c1cccc2Cl ZINC000532231236 301138258 /nfs/dbraw/zinc/13/82/58/301138258.db2.gz HDHPZZMGWQQQRD-SUMWQHHRSA-N 2 0 307.869 2.553 20 0 DFADRP C[C@H](CC(=O)N1CCCCCC1)[NH2+]C1CC[NH+](C2CCC2)CC1 ZINC000532461965 301154226 /nfs/dbraw/zinc/15/42/26/301154226.db2.gz RWCSLMKJUOWEAH-MRXNPFEDSA-N 2 0 321.509 2.774 20 0 DFADRP C[C@@H]([NH2+]CCCCn1ccnc1)c1ccc(-n2cncn2)cc1 ZINC000532478449 301155110 /nfs/dbraw/zinc/15/51/10/301155110.db2.gz CRZPJMMTFHWSOH-OAHLLOKOSA-N 2 0 310.405 2.595 20 0 DFADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)[C@@H]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000535229320 301251590 /nfs/dbraw/zinc/25/15/90/301251590.db2.gz KZNMXDUCFHMYJU-RCCFBDPRSA-N 2 0 323.525 2.545 20 0 DFADRP C[NH+](CCCC[N@@H+](C)C[C@H]1CCCCO1)C[C@@H]1CCCCO1 ZINC000536540543 301277880 /nfs/dbraw/zinc/27/78/80/301277880.db2.gz RLJCRMRGOGKSRB-HDICACEKSA-N 2 0 312.498 2.768 20 0 DFADRP CC(C)N1C[C@@H](C)[C@H]([NH2+]C2CCC(O)(C(F)(F)F)CC2)C1 ZINC000536847832 301291719 /nfs/dbraw/zinc/29/17/19/301291719.db2.gz VXVXSBUWWMHOBR-NELGMTEASA-N 2 0 308.388 2.541 20 0 DFADRP Cc1ccc2c(c1)[C@@H]([NH2+]CCCC[NH+]1CCN(C)CC1)[C@@H](C)C2 ZINC000538709290 301328666 /nfs/dbraw/zinc/32/86/66/301328666.db2.gz CEZQELKIXZHRHK-PXNSSMCTSA-N 2 0 315.505 2.846 20 0 DFADRP C[NH+](C)CCOc1ccccc1N1CC[NH+](C2CCCC2)CC1 ZINC000538962256 301335664 /nfs/dbraw/zinc/33/56/64/301335664.db2.gz CIMBPNACJHVMIV-UHFFFAOYSA-N 2 0 317.477 2.692 20 0 DFADRP CC[C@@H]1CCC[C@H]1[NH2+]Cc1ccc(C(=O)NCC[NH+](C)C)cc1 ZINC000539072685 301337936 /nfs/dbraw/zinc/33/79/36/301337936.db2.gz ZWYHSCVEXNSNGO-SJLPKXTDSA-N 2 0 317.477 2.646 20 0 DFADRP CN1CC[NH+](CCCC[NH2+][C@H]2CCCc3cc(F)ccc32)CC1 ZINC000539306718 301340308 /nfs/dbraw/zinc/34/03/08/301340308.db2.gz FSRDXFCXYCLJKD-IBGZPJMESA-N 2 0 319.468 2.820 20 0 DFADRP C[C@H]1C[C@H]1C[NH2+]Cc1c(Cl)cccc1N1CC[NH+](C)CC1 ZINC000539951268 301354039 /nfs/dbraw/zinc/35/40/39/301354039.db2.gz UWKPKCHUNAAUTM-KBPBESRZSA-N 2 0 307.869 2.837 20 0 DFADRP C[C@@H]1C[C@H]1C[NH2+]Cc1c(Cl)cccc1N1CC[NH+](C)CC1 ZINC000539951274 301354343 /nfs/dbraw/zinc/35/43/43/301354343.db2.gz UWKPKCHUNAAUTM-KGLIPLIRSA-N 2 0 307.869 2.837 20 0 DFADRP C[C@H]1C[C@H](CC[NH2+]C2CCN(C)CC2)C[N@@H+]1Cc1ccccc1 ZINC000540141400 301358361 /nfs/dbraw/zinc/35/83/61/301358361.db2.gz LLFDNOSKTCNKDL-HKUYNNGSSA-N 2 0 315.505 2.971 20 0 DFADRP COC(=O)[C@H](C1CC1)[NH+]1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000541057461 301382012 /nfs/dbraw/zinc/38/20/12/301382012.db2.gz LTJUQQOFPPWRRE-YJBOKZPZSA-N 2 0 322.493 2.915 20 0 DFADRP CC[N@@H+]1CC[C@@H]([NH2+]CCc2ccc(F)c(F)c2F)[C@@H](C)C1 ZINC000541571821 301389857 /nfs/dbraw/zinc/38/98/57/301389857.db2.gz UKIBQHSGEBQXCU-SMDDNHRTSA-N 2 0 300.368 2.966 20 0 DFADRP CC1=CCC[C@@H](C)[C@@H]1C[NH2+]CC(=O)NCC[NH+]1CCCCCC1 ZINC000552279556 301688566 /nfs/dbraw/zinc/68/85/66/301688566.db2.gz RYNLGUWEHINCET-QZTJIDSGSA-N 2 0 321.509 2.561 20 0 DFADRP CC(C)[C@@H]1CC[C@@H]1[NH2+]CC1CC[NH+](CC(=O)NC(C)(C)C)CC1 ZINC000556867906 301817872 /nfs/dbraw/zinc/81/78/72/301817872.db2.gz CARZEZRVOIHREE-IRXDYDNUSA-N 2 0 323.525 2.637 20 0 DFADRP C[C@@H]1C[C@@H](NC(=O)NCC[NH2+]C2CCCCCC2)c2nccn21 ZINC000562818193 302005894 /nfs/dbraw/zinc/00/58/94/302005894.db2.gz IQUQRAGLBFKYQY-UKRRQHHQSA-N 2 0 319.453 2.501 20 0 DFADRP CC(C)C[C@H](CNC(=O)[C@H]([NH3+])C(C)C)[NH2+][C@H](C)c1ccccc1 ZINC000563074927 302034692 /nfs/dbraw/zinc/03/46/92/302034692.db2.gz UOEPXNHVGOJHRU-KBAYOESNSA-N 2 0 319.493 2.851 20 0 DFADRP CC[NH+](CC)CCN(CC(C)C)C(=O)C[C@H](C)n1ccnc1 ZINC000563222031 302052060 /nfs/dbraw/zinc/05/20/60/302052060.db2.gz IBDRXCXNHYBBNX-INIZCTEOSA-N 2 0 308.470 2.661 20 0 DFADRP CC1CC[NH+](C[C@@H]2CCC[N@H+](CCCc3cncn3C)C2)CC1 ZINC000563355932 302066103 /nfs/dbraw/zinc/06/61/03/302066103.db2.gz OKAVBIVOMVTSAY-GOSISDBHSA-N 2 0 318.509 2.797 20 0 DFADRP COc1cc2c(cc1C[NH2+]C[C@H]1CC[C@H](C[NH3+])CC1)O[C@@H](C)C2 ZINC000563519259 302079697 /nfs/dbraw/zinc/07/96/97/302079697.db2.gz DWDQPWYMRCLHDB-KKUMJFAQSA-N 2 0 318.461 2.873 20 0 DFADRP CN1CC[NH+](CCCC[NH2+][C@H](c2cccnc2)C2CCC2)CC1 ZINC000563582678 302084246 /nfs/dbraw/zinc/08/42/46/302084246.db2.gz QUHBLZCLFTZFAI-IBGZPJMESA-N 2 0 316.493 2.540 20 0 DFADRP Cc1ccc(C2(C[NH2+]C[C@@H](O)CN(C)C3CC3)CCC2)cc1C ZINC000563881621 302105635 /nfs/dbraw/zinc/10/56/35/302105635.db2.gz DXEUJUXTUVEEFQ-LJQANCHMSA-N 2 0 316.489 2.770 20 0 DFADRP CC[N@@H+]1CC[C@H](N(C)C(=O)CC[C@@H]([NH3+])c2ccccc2)C[C@H]1C ZINC000563961213 302112363 /nfs/dbraw/zinc/11/23/63/302112363.db2.gz XMTOBSNLPFCVBI-BPQIPLTHSA-N 2 0 317.477 2.798 20 0 DFADRP Cc1ccc(C[N@H+]2CC[C@H](CN(C)Cc3cnn(C)c3)C2)s1 ZINC000564293261 302126612 /nfs/dbraw/zinc/12/66/12/302126612.db2.gz CQHIQSYVGZRSCX-OAHLLOKOSA-N 2 0 318.490 2.744 20 0 DFADRP CC(C)(C(=O)NCC[NH+]1CCCCCC1)[C@H]([NH3+])c1ccccc1 ZINC000564563902 302141298 /nfs/dbraw/zinc/14/12/98/302141298.db2.gz DJEFRLCTBICXDL-QGZVFWFLSA-N 2 0 317.477 2.705 20 0 DFADRP C[C@H]([NH2+]CC[C@H]1CCC[NH2+]C1)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000564822071 302161268 /nfs/dbraw/zinc/16/12/68/302161268.db2.gz GFQGFYWYHKVCGK-UONOGXRCSA-N 2 0 315.461 2.957 20 0 DFADRP CC(C)[NH+](CCCNC(=O)[C@@H](C)[C@@H]([NH3+])c1ccccc1)C(C)C ZINC000564924697 302174069 /nfs/dbraw/zinc/17/40/69/302174069.db2.gz NYINMWYERLXTHC-FUHWJXTLSA-N 2 0 319.493 2.948 20 0 DFADRP COc1ccc([C@@H](C[NH3+])C[N@@H+]2CC[C@@H](c3cccnc3)C2)cc1 ZINC000564989677 302179711 /nfs/dbraw/zinc/17/97/11/302179711.db2.gz WXADCXZFBUJJFX-MSOLQXFVSA-N 2 0 311.429 2.622 20 0 DFADRP CC(C)(C[NH2+][C@H]1CCC[C@@H]([NH3+])C1)N1CCc2ccccc2C1 ZINC000565224876 302209742 /nfs/dbraw/zinc/20/97/42/302209742.db2.gz AHJSBTAYKUZDTR-MSOLQXFVSA-N 2 0 301.478 2.683 20 0 DFADRP C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)CCCC[NH3+] ZINC000565477286 302226774 /nfs/dbraw/zinc/22/67/74/302226774.db2.gz HNTKADHMRMHBBJ-MRXNPFEDSA-N 2 0 317.477 2.806 20 0 DFADRP C[N@H+](C[C@@H](O)CNCc1ccc(-c2ccco2)cc1F)C1CC1 ZINC000565770163 302241398 /nfs/dbraw/zinc/24/13/98/302241398.db2.gz HJTSACVRGQLLHT-INIZCTEOSA-N 2 0 318.392 2.630 20 0 DFADRP CC[NH+](CC)C[C@H]1CCCC[C@@H]1[NH2+]CCCc1cncn1C ZINC000566017421 302253934 /nfs/dbraw/zinc/25/39/34/302253934.db2.gz VVJDSJHGYQDOBJ-AEFFLSMTSA-N 2 0 306.498 2.843 20 0 DFADRP C[C@H](NC[C@H](C1CC1)[N@H+](C)Cc1ccccc1)[C@H]1CCC[NH2+]C1 ZINC000566090697 302258724 /nfs/dbraw/zinc/25/87/24/302258724.db2.gz JACWNTDFMMIARW-FFZOFVMBSA-N 2 0 315.505 2.875 20 0 DFADRP C[C@H](NC[C@H]1CCC[N@@H+]1Cc1ccccc1)[C@@H]1CCC[NH2+]C1 ZINC000566089162 302258779 /nfs/dbraw/zinc/25/87/79/302258779.db2.gz APELTVJLGHGUEH-QXAKKESOSA-N 2 0 301.478 2.629 20 0 DFADRP CC(C)[NH+](CCC[NH2+]C[C@H](O)Cc1ccc(F)cc1)C(C)C ZINC000566113405 302260522 /nfs/dbraw/zinc/26/05/22/302260522.db2.gz YZPSFYGWUYMLBK-GOSISDBHSA-N 2 0 310.457 2.828 20 0 DFADRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H]2CCC[C@@H](F)C2)[C@H](C)C1 ZINC000566220329 302268535 /nfs/dbraw/zinc/26/85/35/302268535.db2.gz JPVOBCVKJFCOME-VQHPVUNQSA-N 2 0 300.462 2.994 20 0 DFADRP Cc1ccncc1[C@H](C)[NH2+]CCCC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000271352357 302295260 /nfs/dbraw/zinc/29/52/60/302295260.db2.gz DLLVJNGZWBOHHS-ULQDDVLXSA-N 2 0 305.466 2.930 20 0 DFADRP C[C@H]1CCC[N@H+](CCCC[NH2+]C[C@H](O)Cc2ccccc2)C1 ZINC000566614939 302299101 /nfs/dbraw/zinc/29/91/01/302299101.db2.gz AYZTWFHIKAARQT-PKOBYXMFSA-N 2 0 304.478 2.692 20 0 DFADRP CC(C)[NH+](CCCNC(=O)[C@@H]1CCCCCC[C@H]1[NH3+])C(C)C ZINC000566676433 302303261 /nfs/dbraw/zinc/30/32/61/302303261.db2.gz NFQIQKRHHYVVDT-IAGOWNOFSA-N 2 0 311.514 2.909 20 0 DFADRP C[C@@H]1C[C@@H]1c1ccc(CN[C@@H]2CCOC[C@@H]2[C@@H]2CCC[NH2+]2)o1 ZINC000566732216 302307756 /nfs/dbraw/zinc/30/77/56/302307756.db2.gz GKVYIOKJVHCNQL-LMLQULGWSA-N 2 0 304.434 2.650 20 0 DFADRP Cc1ccc([C@H](C[NH2+]C[C@H](O)COC(C)C)N2CCCC2)cc1 ZINC000566733516 302307991 /nfs/dbraw/zinc/30/79/91/302307991.db2.gz VIYJMOWRIOGQBB-OALUTQOASA-N 2 0 320.477 2.507 20 0 DFADRP Cn1cc(C[NH2+]C[C@H]2CCC[C@@H]([NH3+])C2)c(-c2cccs2)n1 ZINC000566843620 302316254 /nfs/dbraw/zinc/31/62/54/302316254.db2.gz FXJUHUFPRHTMAN-GXTWGEPZSA-N 2 0 304.463 2.756 20 0 DFADRP C[C@H](NC(=O)C[N@@H+]1CCC(C)(C)C1)[C@H](c1ccccc1)[NH+](C)C ZINC000566866398 302318512 /nfs/dbraw/zinc/31/85/12/302318512.db2.gz SHXSHVDUDIRSMX-MAUKXSAKSA-N 2 0 317.477 2.526 20 0 DFADRP [NH3+]C[C@H]1CCC[C@@H]1[NH2+]Cc1cccc(NC(=O)c2ccccn2)c1 ZINC000566967963 302326001 /nfs/dbraw/zinc/32/60/01/302326001.db2.gz ZUYYMSHZKQSNPG-WBVHZDCISA-N 2 0 324.428 2.551 20 0 DFADRP c1cc2c(cc1C[N@@H+]1CC[C@@H](c3nc(C4CC4)no3)C1)C[NH2+]CC2 ZINC000567595414 302371635 /nfs/dbraw/zinc/37/16/35/302371635.db2.gz GRXPZAAGKIZDOD-MRXNPFEDSA-N 2 0 324.428 2.582 20 0 DFADRP CCOC1CC([N@H+](C)Cc2cn(-c3cc[nH+]cc3)nc2C)C1 ZINC000567651425 302376390 /nfs/dbraw/zinc/37/63/90/302376390.db2.gz WFWBOVSOORSMMT-UHFFFAOYSA-N 2 0 300.406 2.575 20 0 DFADRP COC[C@@H](CCC[NH3+])[NH2+]CCOc1cccc(Cl)c1Cl ZINC000567648409 302376399 /nfs/dbraw/zinc/37/63/99/302376399.db2.gz MLUIMFUAADIPHO-LLVKDONJSA-N 2 0 321.248 2.716 20 0 DFADRP C[C@@H]1CCCC[C@@H]1C(=O)Nc1c[nH+]ccc1N1CCN(C)CC1 ZINC000567687343 302379815 /nfs/dbraw/zinc/37/98/15/302379815.db2.gz AVKRDVYYAKKTIL-CABCVRRESA-N 2 0 316.449 2.598 20 0 DFADRP C[C@H]1CCCC[C@@H]1C(=O)Nc1c[nH+]ccc1N1CCN(C)CC1 ZINC000567687344 302380020 /nfs/dbraw/zinc/38/00/20/302380020.db2.gz AVKRDVYYAKKTIL-GJZGRUSLSA-N 2 0 316.449 2.598 20 0 DFADRP CCn1c2ccccc2nc1C[NH+]1CCC(CC[NH2+]C)CC1 ZINC000567871948 302395614 /nfs/dbraw/zinc/39/56/14/302395614.db2.gz HUBOSCQMAYEGAJ-UHFFFAOYSA-N 2 0 300.450 2.878 20 0 DFADRP COc1ccccc1OCC[NH2+][C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000569566734 302525664 /nfs/dbraw/zinc/52/56/64/302525664.db2.gz YVZLCXSQIWGQCJ-BZUAXINKSA-N 2 0 304.434 2.584 20 0 DFADRP Clc1cc(C[NH+]2CCC([C@H]3CC[NH2+]C3)CC2)cc2c1OCO2 ZINC000571562810 302623300 /nfs/dbraw/zinc/62/33/00/302623300.db2.gz WWXQQZUSYXCWJF-AWEZNQCLSA-N 2 0 322.836 2.890 20 0 DFADRP Clc1ccc(-c2noc(CC[NH2+][C@@H]3CCC[NH2+]CC3)n2)cc1 ZINC000573831136 302726299 /nfs/dbraw/zinc/72/62/99/302726299.db2.gz RZWJFRFBMXLZNT-CQSZACIVSA-N 2 0 320.824 2.664 20 0 DFADRP C[C@H]([NH2+]C[C@H]1CCN(c2ccccc2F)C1)[C@H]1CCC[NH2+]C1 ZINC000574307562 302752159 /nfs/dbraw/zinc/75/21/59/302752159.db2.gz ISQNBPNVJHMJMG-XHSDSOJGSA-N 2 0 305.441 2.630 20 0 DFADRP [NH3+]C1(C(=O)NC[C@@H](c2ccccc2)[NH+]2CCCC2)CCCCC1 ZINC000237924589 303355574 /nfs/dbraw/zinc/35/55/74/303355574.db2.gz LCQURGRSKMXJKU-KRWDZBQOSA-N 2 0 315.461 2.601 20 0 DFADRP C[C@@H]1CCC[C@@H](C)C1[NH2+]Cc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000177827175 315986004 /nfs/dbraw/zinc/98/60/04/315986004.db2.gz ZWYMQVMUNDDUMO-HZPDHXFCSA-N 2 0 316.493 2.748 20 0 DFADRP CCO[C@@H]1C[C@@H]([NH2+]Cc2cccc(OCC[NH+](C)C)c2)C1(C)C ZINC000181524624 316062052 /nfs/dbraw/zinc/06/20/52/316062052.db2.gz DBIAPMIQHYBKBO-QZTJIDSGSA-N 2 0 320.477 2.920 20 0 DFADRP C[C@@H](CCNC(=O)c1cccc(C[NH+](C)C)c1)[NH+]1CCCCC1 ZINC000182249816 316092802 /nfs/dbraw/zinc/09/28/02/316092802.db2.gz OBIMILXBJBVJQE-INIZCTEOSA-N 2 0 317.477 2.743 20 0 DFADRP CC1CC[NH+](CCCC[NH2+][C@@H](c2nccn2C)C2CC2)CC1 ZINC000183248512 316135882 /nfs/dbraw/zinc/13/58/82/316135882.db2.gz VKGCKPRUSOLPRA-QGZVFWFLSA-N 2 0 304.482 2.973 20 0 DFADRP C[C@@H](CCNc1cc[nH+]cc1C(N)=O)[N@H+](C)Cc1ccccc1 ZINC000184129035 316160074 /nfs/dbraw/zinc/16/00/74/316160074.db2.gz UDQYKPGTKKNEII-AWEZNQCLSA-N 2 0 312.417 2.503 20 0 DFADRP c1ccc(C[N@@H+]2CCC[C@H](N[C@@H]3CC[NH+]4CCC[C@H]4C3)C2)cc1 ZINC000336704695 316299708 /nfs/dbraw/zinc/29/97/08/316299708.db2.gz GUKZXMNAOKSLIG-AABGKKOBSA-N 2 0 313.489 2.867 20 0 DFADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@H](c1ccc(C)cc1)[NH+](C)C ZINC000349145272 316339600 /nfs/dbraw/zinc/33/96/00/316339600.db2.gz RVXMVMHKRROBLR-QZTJIDSGSA-N 2 0 317.477 2.588 20 0 DFADRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+][C@@H]1CCc2ccc(Cl)cc21 ZINC000349406925 316357236 /nfs/dbraw/zinc/35/72/36/316357236.db2.gz IJMZNFSAKOZJMR-RDTXWAMCSA-N 2 0 321.896 2.943 20 0 DFADRP COCC1CCC([NH2+]C2CCN(c3cc[nH+]cc3)CC2)CC1 ZINC000414510230 316615645 /nfs/dbraw/zinc/61/56/45/316615645.db2.gz HQNNYMZSUCSNRM-UHFFFAOYSA-N 2 0 303.450 2.845 20 0 DFADRP C[C@H](C[NH3+])c1nc(-c2cccc(C[NH+]3CCCCC3)c2)no1 ZINC000414629024 316636240 /nfs/dbraw/zinc/63/62/40/316636240.db2.gz TTXPNKPSVWROAH-CYBMUJFWSA-N 2 0 300.406 2.785 20 0 DFADRP CCCn1nccc1C1CC[NH+](C[C@H]2CC[NH2+][C@@H](C)C2)CC1 ZINC000414751067 316645690 /nfs/dbraw/zinc/64/56/90/316645690.db2.gz ZNNVYDVHVFCCNL-HOTGVXAUSA-N 2 0 304.482 2.861 20 0 DFADRP C[C@H]1C[C@@H](c2ccccc2)C[C@@H]([NH2+]CCCN2CC[NH2+]CC2)C1 ZINC000414775858 316651047 /nfs/dbraw/zinc/65/10/47/316651047.db2.gz DNIBZXICMUQWER-SXLOBPIMSA-N 2 0 315.505 2.844 20 0 DFADRP O[C@H]1C[NH2+]C[C@@H]1C[NH2+]Cc1ccc(-c2ccc(Cl)cc2)s1 ZINC000414780595 316653113 /nfs/dbraw/zinc/65/31/13/316653113.db2.gz GXCKVGATCJMBPB-WFASDCNBSA-N 2 0 322.861 2.738 20 0 DFADRP CCOc1c(Cl)cc(C[NH2+][C@@H]2CCC[C@H]2C[NH3+])cc1OC ZINC000414789859 316658342 /nfs/dbraw/zinc/65/83/42/316658342.db2.gz FXKYUABOJBKFJS-GXTWGEPZSA-N 2 0 312.841 2.964 20 0 DFADRP COc1ccc(-c2ccncc2)cc1C[NH2+][C@@H]1CCC[C@@H]1C[NH3+] ZINC000414812970 316665651 /nfs/dbraw/zinc/66/56/51/316665651.db2.gz XVHVSPFSSGFAFL-SJLPKXTDSA-N 2 0 311.429 2.974 20 0 DFADRP CCO[C@@H](CC[NH+](C)C)C[NH2+][C@H](C)C1(OC)CCCCC1 ZINC000421828235 316770636 /nfs/dbraw/zinc/77/06/36/316770636.db2.gz BSYKVGOJBBJLEN-CVEARBPZSA-N 2 0 300.487 2.671 20 0 DFADRP CCc1ccccc1[C@@H]([NH3+])CNC(=O)c1ccc([C@@H](C)[NH3+])cc1 ZINC000423935825 316782515 /nfs/dbraw/zinc/78/25/15/316782515.db2.gz BLXRTXDKWSJMRU-ACJLOTCBSA-N 2 0 311.429 2.699 20 0 DFADRP CCC[C@H]1CCC[C@@H]1[NH2+]Cc1ccnc(N2CC[NH+](C)CC2)c1 ZINC000433152230 316882140 /nfs/dbraw/zinc/88/21/40/316882140.db2.gz QQYZYXMUBOCFMG-ROUUACIJSA-N 2 0 316.493 2.892 20 0 DFADRP CCCC1CCC(NC(=O)CCC[NH+]2CCC([NH3+])CC2)CC1 ZINC000433165121 316885033 /nfs/dbraw/zinc/88/50/33/316885033.db2.gz TVWSSQGGLSNBLR-UHFFFAOYSA-N 2 0 309.498 2.665 20 0 DFADRP Cc1cc(NC[C@@H](C)[NH+](C)C)c2cc(OC(F)F)ccc2[nH+]1 ZINC000443424678 316956166 /nfs/dbraw/zinc/95/61/66/316956166.db2.gz VXSMOOXSZOSVQB-LLVKDONJSA-N 2 0 309.360 2.929 20 0 DFADRP CN(CC[NH+]1CCC(CC[NH+](C)C)CC1)Cc1ccccc1 ZINC000450287573 317080335 /nfs/dbraw/zinc/08/03/35/317080335.db2.gz PNPYXEPZSYEWBD-UHFFFAOYSA-N 2 0 303.494 2.782 20 0 DFADRP C[N@H+](CCN1CC[C@@H]2[C@@H](CCC[NH+]2C)C1)Cc1ccccc1 ZINC000450499284 317099866 /nfs/dbraw/zinc/09/98/66/317099866.db2.gz IYQPYLPEAQIUTK-RBUKOAKNSA-N 2 0 301.478 2.535 20 0 DFADRP COC[C@H]1CCCC[N@@H+]1C[C@H](C)C[NH+]1CCCC[C@H]1COC ZINC000452039432 317120946 /nfs/dbraw/zinc/12/09/46/317120946.db2.gz OHOUKGXWKPBOSQ-BCDXTJNWSA-N 2 0 312.498 2.624 20 0 DFADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]C[C@](C)(CC)OC)[C@H](C)C1 ZINC000453290002 317176820 /nfs/dbraw/zinc/17/68/20/317176820.db2.gz ABUCZYRDZOCVHL-IKGGRYGDSA-N 2 0 300.487 2.528 20 0 DFADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]CCC[C@@H]2CCOC2)[C@@H](C)C1 ZINC000453368069 317180533 /nfs/dbraw/zinc/18/05/33/317180533.db2.gz MSUAPAAZHSBBHM-KSZLIROESA-N 2 0 312.498 2.530 20 0 DFADRP C[C@H]([NH2+]CCCC[N@H+](C)C1CC1)c1ccc(S(C)(=O)=O)cc1 ZINC000453387197 317182490 /nfs/dbraw/zinc/18/24/90/317182490.db2.gz AZEHUKUUCLDXCU-AWEZNQCLSA-N 2 0 324.490 2.615 20 0 DFADRP CC[C@@H]([NH2+]C1CCC([N@H+](C)Cc2ccccc2)CC1)C(=O)NC ZINC000453396315 317182690 /nfs/dbraw/zinc/18/26/90/317182690.db2.gz HLMGGBJZPUNZGG-DAWZGUTISA-N 2 0 317.477 2.544 20 0 DFADRP C[N@H+](CCCC[NH2+]Cc1cncc(Br)c1)C1CC1 ZINC000453590202 317192017 /nfs/dbraw/zinc/19/20/17/317192017.db2.gz AZCSMYMHNRFDDG-UHFFFAOYSA-N 2 0 312.255 2.808 20 0 DFADRP C[C@H](O)C[NH+]1CCC(C[N@H+](C)CC2CCC(F)(F)CC2)CC1 ZINC000459335410 317320167 /nfs/dbraw/zinc/32/01/67/317320167.db2.gz NZRFPICSGYZESO-AWEZNQCLSA-N 2 0 318.452 2.837 20 0 DFADRP C[NH+]1CCN(c2ccc(C[NH2+]C3CC(C(C)(C)C)C3)cn2)CC1 ZINC000459365736 317322690 /nfs/dbraw/zinc/32/26/90/317322690.db2.gz MFTRKXZVEMEUTF-UHFFFAOYSA-N 2 0 316.493 2.748 20 0 DFADRP CC[NH+](CC)Cc1ccc(NC(=O)[C@@H]2C[N@H+](C)C[C@@H]2C)cc1 ZINC000487437669 317346246 /nfs/dbraw/zinc/34/62/46/317346246.db2.gz IRGIDGBAAINJOU-WMLDXEAASA-N 2 0 303.450 2.665 20 0 DFADRP C[C@H]([NH2+]Cc1ccccc1C[N@@H+]1CC[C@@H](O)C1)[C@H]1CC1(C)C ZINC000487556793 317347253 /nfs/dbraw/zinc/34/72/53/317347253.db2.gz IPPSDIFOWBKYGJ-BMGDILEWSA-N 2 0 302.462 2.777 20 0 DFADRP CCC[C@H](C(=O)NC[C@H]1CCC[N@@H+]1CC1CCCCC1)[NH+](C)C ZINC000488240229 317378518 /nfs/dbraw/zinc/37/85/18/317378518.db2.gz SCFBMPVNFPJMAC-QZTJIDSGSA-N 2 0 323.525 2.878 20 0 DFADRP C[NH+](C)CCN1CCC([NH2+][C@@H]2CS[C@H](C(C)(C)C)C2)CC1 ZINC000488411489 317391102 /nfs/dbraw/zinc/39/11/02/317391102.db2.gz AIPXHMNPSOIEPT-HOTGVXAUSA-N 2 0 313.555 2.522 20 0 DFADRP CC(C)[NH+]1CCC(O)(C[NH2+][C@H]2CS[C@@H](C(C)(C)C)C2)CC1 ZINC000488434514 317392559 /nfs/dbraw/zinc/39/25/59/317392559.db2.gz PIJXNBPFXXIQFC-HUUCEWRRSA-N 2 0 314.539 2.732 20 0 DFADRP C[C@H]1C[C@@H]1C[NH2+]CCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000488448759 317394845 /nfs/dbraw/zinc/39/48/45/317394845.db2.gz NRGYHBCXSMIEMX-FUHWJXTLSA-N 2 0 302.462 2.949 20 0 DFADRP CC[NH+]1CCN([C@H](C)C[NH2+][C@H]2CS[C@@H](C(C)(C)C)C2)CC1 ZINC000488472691 317395979 /nfs/dbraw/zinc/39/59/79/317395979.db2.gz XMOQJWXTDMRGBX-BZUAXINKSA-N 2 0 313.555 2.522 20 0 DFADRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@H]1CS[C@H](C(C)(C)C)C1 ZINC000488520949 317399602 /nfs/dbraw/zinc/39/96/02/317399602.db2.gz RPRBBJSLRUPNGP-KFWWJZLASA-N 2 0 302.528 2.853 20 0 DFADRP c1ccc2c(c1)cccc2CCC[NH+]1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000489823105 317493304 /nfs/dbraw/zinc/49/33/04/317493304.db2.gz FMDMCRLDWPZXRM-HXUWFJFHSA-N 2 0 323.484 2.752 20 0 DFADRP CCC[C@H]([NH3+])C(=O)NC[C@H](CC(C)C)[NH2+][C@H](C)c1ccccc1 ZINC000518369877 317711566 /nfs/dbraw/zinc/71/15/66/317711566.db2.gz CYHMQSRESJJANS-NJAFHUGGSA-N 2 0 319.493 2.996 20 0 DFADRP CO[C@H](C[NH+]1CCC([C@@H]2CCC[NH2+]2)CC1)c1ccc(F)cc1 ZINC000530222411 317776603 /nfs/dbraw/zinc/77/66/03/317776603.db2.gz MVLUISZRAXJUME-ZWKOTPCHSA-N 2 0 306.425 2.977 20 0 DFADRP COc1ccc(C)cc1C[NH+]1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000530241019 317777935 /nfs/dbraw/zinc/77/79/35/317777935.db2.gz OYYGOFSAMPGWLL-SFHVURJKSA-N 2 0 318.461 2.594 20 0 DFADRP [NH3+][C@@H]1CCC[C@H](Nc2cccc(C[NH+]3CCC(CO)CC3)c2)C1 ZINC000566480987 317951607 /nfs/dbraw/zinc/95/16/07/317951607.db2.gz DFJKWDIQZIMMFP-MJGOQNOKSA-N 2 0 317.477 2.573 20 0 DFADRP CC[NH+](CC)C[C@@H]1CCCC[C@H]1NC(=O)CCCC[NH+](C)C ZINC000568825853 317963813 /nfs/dbraw/zinc/96/38/13/317963813.db2.gz DQYISNLRHWJBAQ-DLBZAZTESA-N 2 0 311.514 2.735 20 0 DFADRP CC(C)C(C[NH2+]Cc1ccnc(N2CC[NH+](C)CC2)c1)C(C)C ZINC000571468193 317984520 /nfs/dbraw/zinc/98/45/20/317984520.db2.gz PIZPGXZZXZVRKO-UHFFFAOYSA-N 2 0 318.509 2.851 20 0 DFADRP C[C@@H]([NH3+])CCC(=O)N1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000573327792 318016660 /nfs/dbraw/zinc/01/66/60/318016660.db2.gz VLXWUERLHFAHQG-CVEARBPZSA-N 2 0 309.498 2.617 20 0 DFADRP CC[NH2+]CCCN[C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000574629756 318028746 /nfs/dbraw/zinc/02/87/46/318028746.db2.gz QZNMPCJDMIAVMY-XUVXKRRUSA-N 3 0 315.505 2.876 20 0 DFADRP Cn1ccc(CN[C@@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)n1 ZINC000574754857 318038114 /nfs/dbraw/zinc/03/81/14/318038114.db2.gz ROENSKFRFKVTDE-QGZVFWFLSA-N 2 0 310.445 2.707 20 0 DFADRP C[NH+](C)CC[C@@H]([NH2+]C[C@@H](O)CCc1ccccc1)C(C)(C)C ZINC000575040230 318058411 /nfs/dbraw/zinc/05/84/11/318058411.db2.gz QHFFMTUNOUUQIZ-ZWKOTPCHSA-N 2 0 306.494 2.936 20 0 DFADRP C[C@@H](CC(=O)Nc1cccc(F)c1)[NH2+]Cc1ccc(C[NH3+])cc1 ZINC000575312624 318072648 /nfs/dbraw/zinc/07/26/48/318072648.db2.gz YQVLPOOCZQDZFL-ZDUSSCGKSA-N 2 0 315.392 2.791 20 0 DFADRP CC[C@H]([NH2+]Cc1nnc(C2CC[NH2+]CC2)[nH]1)C1CCCCC1 ZINC000575377479 318075518 /nfs/dbraw/zinc/07/55/18/318075518.db2.gz SDIYVNNTSLMSKJ-HNNXBMFYSA-N 2 0 305.470 2.720 20 0 DFADRP CCc1nccn1[C@@H]1CCC[N@H+](Cc2ccc3c(c2)C[NH2+]CC3)C1 ZINC000575755537 318081743 /nfs/dbraw/zinc/08/17/43/318081743.db2.gz SHLAQFBUVHXMOB-LJQANCHMSA-N 2 0 324.472 2.928 20 0 DFADRP COc1ccc(C[C@H](C)C[NH2+][C@H]2CCC[C@H]([NH3+])C2)cc1OC ZINC000575761852 318081969 /nfs/dbraw/zinc/08/19/69/318081969.db2.gz FUMFHMWBJUZGFM-BPUTZDHNSA-N 2 0 306.450 2.742 20 0 DFADRP C[C@H]([NH2+]CC1CC[NH2+]CC1)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000575795007 318083799 /nfs/dbraw/zinc/08/37/99/318083799.db2.gz AJKAQGJJZVNQBX-LBPRGKRZSA-N 2 0 301.434 2.567 20 0 DFADRP Cc1cccc(C)c1OC[C@H](O)C[NH2+][C@H]1CCC[C@H]([NH+](C)C)C1 ZINC000575861595 318087946 /nfs/dbraw/zinc/08/79/46/318087946.db2.gz BYAJYVMIEGDXAY-OKZBNKHCSA-N 2 0 320.477 2.506 20 0 DFADRP Cn1ccnc1[C@H]([NH2+]C1CCC([NH3+])CC1)c1cccc(F)c1 ZINC000575914251 318091446 /nfs/dbraw/zinc/09/14/46/318091446.db2.gz ZAORLSBKCHWKPV-UYSNPLJNSA-N 2 0 302.397 2.508 20 0 DFADRP [NH3+][C@@H]1CCC[C@H]([NH2+]Cc2cc(Cl)c3c(c2)OCCCO3)C1 ZINC000576010143 318098399 /nfs/dbraw/zinc/09/83/99/318098399.db2.gz PUYBKBLSJYYJDU-OLZOCXBDSA-N 2 0 310.825 2.861 20 0 DFADRP CCc1cccc(C[NH2+]Cc2cccnc2N2CC[NH+](C)CC2)c1 ZINC000576045616 318100260 /nfs/dbraw/zinc/10/02/60/318100260.db2.gz JALTXWGDJSEBHC-UHFFFAOYSA-N 2 0 324.472 2.686 20 0 DFADRP [NH3+][C@@H]1CCC[C@@H]([NH2+][C@H](CO)c2ccc(C(F)(F)F)cc2)C1 ZINC000576480611 318129946 /nfs/dbraw/zinc/12/99/46/318129946.db2.gz ZAIIQAAXQKBGLQ-MGPQQGTHSA-N 2 0 302.340 2.598 20 0 DFADRP [NH3+][C@H]1CCC[C@H]([NH2+]CCNc2cccc(Br)c2)C1 ZINC000576767685 318149295 /nfs/dbraw/zinc/14/92/95/318149295.db2.gz OYSGSIVWGXFZQP-JSGCOSHPSA-N 2 0 312.255 2.721 20 0 DFADRP O=C([C@@H]1CCCCC[NH2+]1)N1CCC[N@H+](CC2CCCCC2)CC1 ZINC000576877738 318156482 /nfs/dbraw/zinc/15/64/82/318156482.db2.gz IJJNWOMCZPZAJL-SFHVURJKSA-N 2 0 321.509 2.633 20 0 DFADRP C[NH+](C)CCN(CC[NH+](C)C)Cc1ccc(C(F)(F)F)s1 ZINC000576985048 318163754 /nfs/dbraw/zinc/16/37/54/318163754.db2.gz SXHFPKFHFWGDOS-UHFFFAOYSA-N 2 0 323.428 2.692 20 0 DFADRP C[C@H]([NH2+][C@H](CN1CC[NH+](C)CC1)c1ccccc1)[C@H]1C[C@H]1C ZINC000577042628 318167421 /nfs/dbraw/zinc/16/74/21/318167421.db2.gz ZVLLSVXXPYTVSO-KCITZHQASA-N 2 0 301.478 2.609 20 0 DFADRP C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1[NH2+]CC1(O)CCC1 ZINC000577070480 318169457 /nfs/dbraw/zinc/16/94/57/318169457.db2.gz NOGWGJRPSWQSBM-HOTGVXAUSA-N 2 0 302.462 2.648 20 0 DFADRP CC(C)[N@H+](C)C[C@@H](O)CN1CC2(CCC2)[C@H]1c1ccccc1 ZINC000577232150 318180161 /nfs/dbraw/zinc/18/01/61/318180161.db2.gz XGWHVDKFJYOYIU-QZTJIDSGSA-N 2 0 302.462 2.915 20 0 DFADRP Cc1ccc(NC(=O)[C@H](C)[NH+]2CCC(CC[NH3+])CC2)cc1F ZINC000577499222 318197308 /nfs/dbraw/zinc/19/73/08/318197308.db2.gz QMROLKCZJSISGN-ZDUSSCGKSA-N 2 0 307.413 2.522 20 0 DFADRP C[C@H]1C[C@@H](CCNC(=O)CCCC[NH3+])C[N@@H+]1Cc1ccccc1 ZINC000577511108 318198432 /nfs/dbraw/zinc/19/84/32/318198432.db2.gz ZRSUEZKRNNAVET-FUHWJXTLSA-N 2 0 317.477 2.532 20 0 DFADRP CC(=O)Nc1cccc(CN2CCCC[C@@H]2[C@@H]2CCC[NH2+]2)c1 ZINC000577594956 318203764 /nfs/dbraw/zinc/20/37/64/318203764.db2.gz QWEUVMIZXNGSCW-ZWKOTPCHSA-N 2 0 301.434 2.752 20 0 DFADRP C[C@@H]([NH2+]Cc1ccc(C[NH+]2CCCC2)cc1)[C@H]1CCC[NH2+]C1 ZINC000577720292 318212158 /nfs/dbraw/zinc/21/21/58/318212158.db2.gz IILVYRXUWDAHSE-APWZRJJASA-N 3 0 301.478 2.760 20 0 DFADRP [NH3+][C@@H]1CCC[C@H]([NH2+]CCNc2ncc(Cl)cc2Cl)C1 ZINC000577887673 318224796 /nfs/dbraw/zinc/22/47/96/318224796.db2.gz ZLASPEKEQUPWKO-MNOVXSKESA-N 2 0 303.237 2.660 20 0 DFADRP C[C@H](c1ccccc1)[C@H](O)C[NH2+]C1CCC(C[NH+](C)C)CC1 ZINC000578064632 318235077 /nfs/dbraw/zinc/23/50/77/318235077.db2.gz OAIIRGCGRKQFFX-JVGQSUMCSA-N 2 0 304.478 2.861 20 0 DFADRP COC[C@H]([NH2+][C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)C(C)C ZINC000578637797 318274677 /nfs/dbraw/zinc/27/46/77/318274677.db2.gz ISNCIYCNNQUYBB-RYRKJORJSA-N 2 0 304.434 2.503 20 0 DFADRP COC[C@H]([NH2+][C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)C(C)C ZINC000578637798 318274738 /nfs/dbraw/zinc/27/47/38/318274738.db2.gz ISNCIYCNNQUYBB-SOLBZPMBSA-N 2 0 304.434 2.503 20 0 DFADRP Cc1ccc(C[NH+]2CC[C@H](C[N@H+](C)CCc3cn[nH]c3)C2)s1 ZINC000579014937 318302438 /nfs/dbraw/zinc/30/24/38/318302438.db2.gz YCLFSHIWEKFWDO-MRXNPFEDSA-N 2 0 318.490 2.776 20 0 DFADRP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(OCC(F)(F)F)nc1 ZINC000579225114 318315357 /nfs/dbraw/zinc/31/53/57/318315357.db2.gz DWTKZNGDHFFCHI-QWHCGFSZSA-N 2 0 317.355 2.630 20 0 DFADRP Cc1ccc(C[N@H+](C)CCC[NH+](C)C)c(-c2ccnn2C)c1 ZINC000579291489 318319668 /nfs/dbraw/zinc/31/96/68/318319668.db2.gz RYYDAPQCFXPANM-UHFFFAOYSA-N 2 0 300.450 2.779 20 0 DFADRP CC(C)C[C@H]([NH3+])CN1CC[C@@H]([N@H+](C)CCc2ccccc2)C1 ZINC000579377322 318327534 /nfs/dbraw/zinc/32/75/34/318327534.db2.gz MNOFNPBTEZYBBO-RBUKOAKNSA-N 2 0 303.494 2.609 20 0 DFADRP C[NH2+]CCC1CCN(c2ncnc3[nH]c4ccccc4c32)CC1 ZINC000579454782 318331375 /nfs/dbraw/zinc/33/13/75/318331375.db2.gz ZJCVDTWBRUPPKQ-UHFFFAOYSA-N 2 0 309.417 2.937 20 0 DFADRP CC[NH+](CC)CCC[NH2+][C@@H](C)c1ccc(-n2ccnn2)cc1 ZINC000191822184 323238943 /nfs/dbraw/zinc/23/89/43/323238943.db2.gz VUYYDRSVFQVYDU-HNNXBMFYSA-N 2 0 301.438 2.650 20 0 DFADRP C[C@@H]1CN(Cc2sccc2Br)C[C@@]1(C)C[NH3+] ZINC000380672710 323291826 /nfs/dbraw/zinc/29/18/26/323291826.db2.gz BVDUQHNIVXMYOX-BXKDBHETSA-N 2 0 303.269 2.927 20 0 DFADRP C[C@H]1CN(Cc2ccccc2)CCC[N@@H+]1CC[C@@H]1CCC[NH2+]C1 ZINC000382712577 323301548 /nfs/dbraw/zinc/30/15/48/323301548.db2.gz WCERTMBLAXTLNU-OALUTQOASA-N 2 0 315.505 2.973 20 0 DFADRP CCN(CCC[NH2+][C@H]1CC[N@H+](C)C[C@H]1C)C(=O)OC(C)(C)C ZINC000382826385 323302267 /nfs/dbraw/zinc/30/22/67/323302267.db2.gz DGVDZPRJKPFBQG-CABCVRRESA-N 2 0 313.486 2.563 20 0 DFADRP C[N@H+](Cc1ccccc1)C1(CN[C@H]2CCC[C@@H]2C[NH3+])CCC1 ZINC000386803414 323320875 /nfs/dbraw/zinc/32/08/75/323320875.db2.gz CDKXCSZHZLKKOE-MSOLQXFVSA-N 2 0 301.478 2.758 20 0 DFADRP C[NH2+][C@H](CC(C)(C)C)C(=O)N(CC[NH+](C)C)Cc1ccccc1 ZINC000387585917 323326155 /nfs/dbraw/zinc/32/61/55/323326155.db2.gz RCNXBVIFPCGAGB-QGZVFWFLSA-N 2 0 319.493 2.601 20 0 DFADRP C[C@@H]1CN(Cc2ccccc2)C[C@@H]1[NH2+][C@H]1CCCC[C@H]1C[NH3+] ZINC000389787630 323337339 /nfs/dbraw/zinc/33/73/39/323337339.db2.gz NBHPZSXGXOVXFL-BVBHFADKSA-N 2 0 301.478 2.614 20 0 DFADRP C[C@@H]1CN(Cc2ccccc2)C[C@@H]1[NH2+][C@H]1CCCC[C@@H]1C[NH3+] ZINC000389787634 323337570 /nfs/dbraw/zinc/33/75/70/323337570.db2.gz NBHPZSXGXOVXFL-YSHGAJCASA-N 2 0 301.478 2.614 20 0 DFADRP COc1cc2c(cc1C[N@@H+]1C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C1)O[C@H](C)C2 ZINC000391512672 323346454 /nfs/dbraw/zinc/34/64/54/323346454.db2.gz QOQPXIRWSWIBPZ-GFOFROLCSA-N 2 0 316.445 2.578 20 0 DFADRP C[C@H](C(=O)Nc1ccc(Cl)cc1)[NH+]1CCC(CC[NH3+])CC1 ZINC000580319227 323370360 /nfs/dbraw/zinc/37/03/60/323370360.db2.gz BCIYFEZNMPYQOA-GFCCVEGCSA-N 2 0 309.841 2.728 20 0 DFADRP CC(C)[N@H+](C)CC1CCN(C(=O)c2ccc3c[nH+]cn3c2)CC1 ZINC000580470667 323390628 /nfs/dbraw/zinc/39/06/28/323390628.db2.gz OHDVWHIXHXUDCO-UHFFFAOYSA-N 2 0 314.433 2.527 20 0 DFADRP C[C@H]([NH2+][C@@H]1CCC[C@@H]([NH3+])C1)c1ccc(-n2cccn2)c(F)c1 ZINC000581021996 323465719 /nfs/dbraw/zinc/46/57/19/323465719.db2.gz HQYTTWMWEUWPNH-NWANDNLSSA-N 2 0 302.397 2.932 20 0 DFADRP CC(C)[C@H]1CCC[C@H]1[NH2+]Cc1ccncc1OCC[NH+](C)C ZINC000581630789 323552236 /nfs/dbraw/zinc/55/22/36/323552236.db2.gz CXNNXYLDUNUGOZ-IAGOWNOFSA-N 2 0 305.466 2.936 20 0 DFADRP CCc1ccccc1NC(=O)[C@@H](C)[NH+]1CCC(CC[NH3+])CC1 ZINC000581731168 323565718 /nfs/dbraw/zinc/56/57/18/323565718.db2.gz MSCLTSQOFGQMHP-CQSZACIVSA-N 2 0 303.450 2.637 20 0 DFADRP CC[NH+]1CCC(C[NH2+][C@@H](C)c2ccc(C(=O)N(C)C)cc2)CC1 ZINC000581860472 323577854 /nfs/dbraw/zinc/57/78/54/323577854.db2.gz QCHSEQWTCUXKPG-HNNXBMFYSA-N 2 0 317.477 2.771 20 0 DFADRP [NH3+][C@@H](CCC(=O)N1CCC[C@H]1C[NH+]1CCCC1)c1ccccc1 ZINC000582788793 323736275 /nfs/dbraw/zinc/73/62/75/323736275.db2.gz NUZPLGODKVZZNB-ROUUACIJSA-N 2 0 315.461 2.553 20 0 DFADRP C[C@@H]1C[C@@H](CN(Cc2ccccc2)[C@@H]2CCC[NH2+]C2)CC[NH2+]1 ZINC000583630694 323889608 /nfs/dbraw/zinc/88/96/08/323889608.db2.gz OYLMZVBHISYSKK-NZSAHSFTSA-N 2 0 301.478 2.629 20 0 DFADRP C[C@@H]([NH2+]CC1CC[NH+](Cc2ccccc2Cl)CC1)[C@H](C)O ZINC000584286794 332213743 /nfs/dbraw/zinc/21/37/43/332213743.db2.gz IAHDGAMUCICTCG-KGLIPLIRSA-N 2 0 310.869 2.911 20 0 DFADRP CC[N@@H+]1CC[C@H](C[NH2+][C@H](C)c2cncc(Br)c2)C1 ZINC000584540622 337359610 /nfs/dbraw/zinc/35/96/10/337359610.db2.gz GGCJHRDQARHWHO-VXGBXAGGSA-N 2 0 312.255 2.837 20 0 DFADRP CC[NH+]1CCN(CCC[NH2+][C@H]2CCc3c2cccc3Cl)CC1 ZINC000584564546 337363150 /nfs/dbraw/zinc/36/31/50/337363150.db2.gz GZGJKQAVCRMTNI-SFHVURJKSA-N 2 0 321.896 2.945 20 0 DFADRP COc1ccc(C[C@@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc1OC ZINC000294978328 533756392 /nfs/dbraw/zinc/75/63/92/533756392.db2.gz JOYWPIDUMMSUBF-HZTRTUMWSA-N 2 0 318.461 2.850 20 0 DFADRP C[C@H]1C[N@H+](CCC[NH2+]CCc2cccc(Cl)c2)CCCO1 ZINC000298155253 533940523 /nfs/dbraw/zinc/94/05/23/533940523.db2.gz RXXZPLXFYQWTTH-HNNXBMFYSA-N 2 0 310.869 2.973 20 0 DFADRP Cc1ccc(C[N@@H+]2CC[C@@]3(CC[NH+](C)C3)C2)c(-c2cnn(C)c2)c1 ZINC000292677928 533950219 /nfs/dbraw/zinc/95/02/19/533950219.db2.gz AKTRZNMDMGALQB-HXUWFJFHSA-N 2 0 324.472 2.923 20 0 DFADRP Cc1cc(C[NH3+])cc(NC(=O)N2CC[C@H]([NH+]3CCCCC3)C2)c1 ZINC000332658377 534174587 /nfs/dbraw/zinc/17/45/87/534174587.db2.gz NECWOUOKWZYEJV-KRWDZBQOSA-N 2 0 316.449 2.546 20 0 DFADRP C[C@]1(C[NH2+]C2CCN(c3cc[nH+]cc3)CC2)CCCC[C@H]1O ZINC000297322971 534176329 /nfs/dbraw/zinc/17/63/29/534176329.db2.gz CKQGJRRFLNAALX-QZTJIDSGSA-N 2 0 303.450 2.581 20 0 DFADRP C/C(=C\c1ccccc1)C[NH2+][C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000364205475 518447162 /nfs/dbraw/zinc/44/71/62/518447162.db2.gz GZYCRFJZRMVDEL-FLXZHSAZSA-N 2 0 313.489 2.848 20 0 DFADRP CC(C)OCC[N@H+](C)[C@@H]1CCC[NH+](CCOC(C)C)CC1 ZINC000156945196 519765270 /nfs/dbraw/zinc/76/52/70/519765270.db2.gz UUHYLGNYUVUMNS-QGZVFWFLSA-N 2 0 300.487 2.623 20 0 DFADRP CC1CC[NH+](CC2CCN(C(=O)CCCCCC[NH3+])CC2)CC1 ZINC000366331031 520997274 /nfs/dbraw/zinc/99/72/74/520997274.db2.gz FKHJLKZBKGRNAM-UHFFFAOYSA-N 2 0 323.525 2.866 20 0 DFADRP C[N@@H+]1CCC[C@H](CNC(=O)C(C)(C)[NH3+])[C@@H]1c1cccc(Cl)c1 ZINC000364848543 523839388 /nfs/dbraw/zinc/83/93/88/523839388.db2.gz ALWZTTYUDIOLHL-HIFRSBDPSA-N 2 0 323.868 2.576 20 0 DFADRP CC(C)[C@H](O)C[NH2+]C1[C@H](C)C[NH+](Cc2ccccc2)C[C@H]1C ZINC000292873569 527741826 /nfs/dbraw/zinc/74/18/26/527741826.db2.gz HVRIRYUBDXQWGB-JFIYKMOQSA-N 2 0 304.478 2.750 20 0 DFADRP CCC[C@@](C)([NH3+])C(=O)NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000309886330 527893066 /nfs/dbraw/zinc/89/30/66/527893066.db2.gz LGPLEXWDAXCVNF-PKOBYXMFSA-N 2 0 317.477 2.532 20 0 DFADRP CC(C)[N@H+](C)CC(=O)Nc1cccc(C[NH+]2CCCCC2)c1 ZINC000299497136 528815124 /nfs/dbraw/zinc/81/51/24/528815124.db2.gz KLIMYGCOVVHNQW-UHFFFAOYSA-N 2 0 303.450 2.951 20 0 DFADRP CC[C@@H]([NH2+][C@H](C)c1ccc(OCC[NH+](C)C)cc1)C(C)(C)O ZINC000294859700 529206045 /nfs/dbraw/zinc/20/60/45/529206045.db2.gz BWTVXMYVFJFYOZ-RHSMWYFYSA-N 2 0 308.466 2.827 20 0 DFADRP CC(C)[N@@H+]1CCC[C@H](CNC(=O)c2ccccc2C[NH+](C)C)C1 ZINC000362681460 535176505 /nfs/dbraw/zinc/17/65/05/535176505.db2.gz POAASIAHSQYTRV-MRXNPFEDSA-N 2 0 317.477 2.598 20 0 DFADRP CCCC[N@H+](C)CC1CC[NH+]([C@@H](C)C(=O)N(C)C(C)C)CC1 ZINC000175110444 535216788 /nfs/dbraw/zinc/21/67/88/535216788.db2.gz LBIIVVSHEBGOHO-INIZCTEOSA-N 2 0 311.514 2.686 20 0 DFADRP CCC[NH+](CCC)CCCC(=O)N1CC[NH+](C2CCC2)CC1 ZINC000354373142 535321132 /nfs/dbraw/zinc/32/11/32/535321132.db2.gz RMWKYHLMXMHGET-UHFFFAOYSA-N 2 0 309.498 2.585 20 0 DFADRP CCC[NH+](CCC)CCCC(=O)Nc1cnc2c(c1)C[NH2+]CC2 ZINC000362020969 535324160 /nfs/dbraw/zinc/32/41/60/535324160.db2.gz JEZLPPBEUASAFF-UHFFFAOYSA-N 2 0 318.465 2.568 20 0 DFADRP CCC[C@@](C)([NH3+])C(=O)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000262703054 535528379 /nfs/dbraw/zinc/52/83/79/535528379.db2.gz KAMRAWQFXWLZSZ-WMLDXEAASA-N 2 0 323.506 2.594 20 0 DFADRP CCC[C@H]([NH2+]CCC[N@@H+]1CCC[C@@H](C(N)=O)C1)c1ccccc1 ZINC000361163184 535703086 /nfs/dbraw/zinc/70/30/86/535703086.db2.gz JHBHSODZJZERCE-MSOLQXFVSA-N 2 0 317.477 2.705 20 0 DFADRP CC[NH+]1CCN([C@@H]2CC[N@H+](Cc3ccc([C@@H]4C[C@H]4C)o3)C2)CC1 ZINC000245701353 535735754 /nfs/dbraw/zinc/73/57/54/535735754.db2.gz DBUIAVPDDYKEAB-JFIYKMOQSA-N 2 0 317.477 2.615 20 0 DFADRP CC[NH+]1CCN([C@@H]2CC[N@H+](Cc3cc(C)sc3C)C2)CC1 ZINC000171527259 535738380 /nfs/dbraw/zinc/73/83/80/535738380.db2.gz XYYNFXZNHFUZSO-QGZVFWFLSA-N 2 0 307.507 2.577 20 0 DFADRP C[NH+](C)Cc1ccc(-c2noc([C@H]3CC34CC[NH2+]CC4)n2)cc1 ZINC000261619028 535994367 /nfs/dbraw/zinc/99/43/67/535994367.db2.gz BQLZNKFHMZAXOD-OAHLLOKOSA-N 2 0 312.417 2.655 20 0 DFADRP CCc1ncc(C[N@@H+]2C[C@@H](C[NH3+])[C@H](c3ccccc3)C2)s1 ZINC000261606002 536167518 /nfs/dbraw/zinc/16/75/18/536167518.db2.gz BEROGGHJMKFXHI-ZBFHGGJFSA-N 2 0 301.459 2.880 20 0 DFADRP COC(=O)C[C@@H]1CC[C@@H]([NH2+]CCC[NH+]2CCC(C)CC2)[C@H]1C ZINC000353935418 536318018 /nfs/dbraw/zinc/31/80/18/536318018.db2.gz WOYXGQCJFACNQQ-YESZJQIVSA-N 2 0 310.482 2.676 20 0 DFADRP C[NH2+][C@@H](C)Cc1noc([C@H]2CCC[N@H+](Cc3ccccc3)C2)n1 ZINC000261773195 536350168 /nfs/dbraw/zinc/35/01/68/536350168.db2.gz NINLKSZHESULEN-HOCLYGCPSA-N 2 0 314.433 2.600 20 0 DFADRP Cn1ccc(CC[NH2+]CC(C)(C)C[N@H+](C)Cc2ccccc2)n1 ZINC000354649514 536480431 /nfs/dbraw/zinc/48/04/31/536480431.db2.gz WHSBINFBRKOZCU-UHFFFAOYSA-N 2 0 314.477 2.710 20 0 DFADRP COc1cc(C)c(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)cc1OC ZINC000262065364 536573138 /nfs/dbraw/zinc/57/31/38/536573138.db2.gz FLHYNFFXVFSACV-CWRNSKLLSA-N 2 0 304.434 2.571 20 0 DFADRP COc1ccccc1OCC[NH+]1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000261828042 537094034 /nfs/dbraw/zinc/09/40/34/537094034.db2.gz BDKFFCUOIFKKNP-INIZCTEOSA-N 2 0 304.434 2.538 20 0 DFADRP CC[NH+](CC)CCOCC[NH2+]C[C@H]1CCOc2ccccc21 ZINC000680484104 545501228 /nfs/dbraw/zinc/50/12/28/545501228.db2.gz UKKFLIYGRDDSBF-MRXNPFEDSA-N 2 0 306.450 2.501 20 0 DFADRP C[NH+](C)CCCN(CCC[NH+](C)C)c1ncc(Cl)s1 ZINC000680894999 545559017 /nfs/dbraw/zinc/55/90/17/545559017.db2.gz DDVWQUCCNCTHAY-UHFFFAOYSA-N 2 0 304.891 2.506 20 0 DFADRP C[C@@H](O)[C@H]1C[C@H](C)CC[N@@H+]1Cc1ccc(OCC[NH+](C)C)cc1 ZINC000682409242 545842051 /nfs/dbraw/zinc/84/20/51/545842051.db2.gz LHLOGZZIFDUEET-GPMSIDNRSA-N 2 0 320.477 2.608 20 0 DFADRP C[NH+]1CCN(C(C)(C)C[NH2+][C@H]2CS[C@H](C(C)(C)C)C2)CC1 ZINC000683111425 545973489 /nfs/dbraw/zinc/97/34/89/545973489.db2.gz XOAUVIZIXMCYCR-CABCVRRESA-N 2 0 313.555 2.522 20 0 DFADRP C[C@@H]1CSCC[N@H+](Cc2ccc(OCC[NH+](C)C)cc2)C1 ZINC000683109966 545973520 /nfs/dbraw/zinc/97/35/20/545973520.db2.gz VJPBEZNBOVDXOJ-HNNXBMFYSA-N 2 0 308.491 2.812 20 0 DFADRP CO[C@H](c1ccccc1)[C@@H](C)[NH2+]CC1(O)CC[NH+](C(C)C)CC1 ZINC000683817906 546101788 /nfs/dbraw/zinc/10/17/88/546101788.db2.gz KCUNYQYUTPIXDB-AEFFLSMTSA-N 2 0 320.477 2.588 20 0 DFADRP Cn1cnc(C[NH+]2CCC(C[N@H+](C)Cc3ccccc3)CC2)c1 ZINC000683898082 546114626 /nfs/dbraw/zinc/11/46/26/546114626.db2.gz KQLJQYTWSJUXBQ-UHFFFAOYSA-N 2 0 312.461 2.764 20 0 DFADRP C[C@H]1C[N@H+](CCC[NH2+]Cc2cc3ccccc3[nH]2)CCCO1 ZINC000683930836 546122683 /nfs/dbraw/zinc/12/26/83/546122683.db2.gz DCUXYDGQWBFZPZ-HNNXBMFYSA-N 2 0 301.434 2.758 20 0 DFADRP c1c2ccccc2[nH]c1C[NH+]1CCC(C[NH+]2CCOCC2)CC1 ZINC000684020813 546135791 /nfs/dbraw/zinc/13/57/91/546135791.db2.gz OLIFERYSIDSSFX-UHFFFAOYSA-N 2 0 313.445 2.712 20 0 DFADRP CCc1cccc(F)c1C[NH2+][C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000684379343 546205364 /nfs/dbraw/zinc/20/53/64/546205364.db2.gz RCYPQYIPQXSSJD-MRXNPFEDSA-N 2 0 319.468 2.646 20 0 DFADRP C[C@H](CO)[N@@H+](Cc1ccc(OCC[NH+](C)C)cc1)CC1CCC1 ZINC000685431601 546348472 /nfs/dbraw/zinc/34/84/72/546348472.db2.gz YMXIMPZMZVMZDQ-MRXNPFEDSA-N 2 0 320.477 2.610 20 0 DFADRP COc1ccc(C[NH2+]CC2CC[NH+](C3CC3)CC2)c(OC)c1 ZINC000278480089 214180380 /nfs/dbraw/zinc/18/03/80/214180380.db2.gz JDJZTQROJQMWPP-UHFFFAOYSA-N 2 0 304.434 2.668 20 0 DFADRP COc1ccc(C[NH2+]CC2CC[NH+](C3CC3)CC2)cc1OC ZINC000278513811 214203534 /nfs/dbraw/zinc/20/35/34/214203534.db2.gz QGKXVHPSAJNONZ-UHFFFAOYSA-N 2 0 304.434 2.668 20 0 DFADRP CC1CC[NH+](Cc2ccc(NC(=O)[C@@H]3CCC[NH2+]C3)cc2)CC1 ZINC000164557417 197656624 /nfs/dbraw/zinc/65/66/24/197656624.db2.gz HAWBVPAKSNFOIK-QGZVFWFLSA-N 2 0 315.461 2.857 20 0 DFADRP CC[NH+](CC)[C@H](C)CNC1CC[NH+](Cc2ccccc2)CC1 ZINC000078880633 185121928 /nfs/dbraw/zinc/12/19/28/185121928.db2.gz VDNVYBCNGGOJNP-QGZVFWFLSA-N 2 0 303.494 2.971 20 0 DFADRP C[C@H](CN[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)[NH+](C)C ZINC000278624039 214283715 /nfs/dbraw/zinc/28/37/15/214283715.db2.gz GLBOTTQYLKHEDJ-OQIJWPOYSA-N 2 0 301.478 2.722 20 0 DFADRP C[C@H](O)CC[N@@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000309698856 231103308 /nfs/dbraw/zinc/10/33/08/231103308.db2.gz FJZGFZFDTXLLHL-KRWDZBQOSA-N 2 0 302.462 2.745 20 0 DFADRP OCCCCC[N@@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000310010747 231109339 /nfs/dbraw/zinc/10/93/39/231109339.db2.gz KFEJAVSKPNNPAY-OALUTQOASA-N 2 0 302.462 2.603 20 0 DFADRP Cc1cc([C@@H](C)[NH2+]C[C@@H](C(C)C)N2CC[NH+](C)CC2)c(C)o1 ZINC000315227392 231138058 /nfs/dbraw/zinc/13/80/58/231138058.db2.gz LKRXKSCJFDKYBS-QAPCUYQASA-N 2 0 307.482 2.819 20 0 DFADRP Cc1cc(C)n(CCC[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)n1 ZINC000318487779 231169299 /nfs/dbraw/zinc/16/92/99/231169299.db2.gz ROCAYGCNXKYRRW-FGTMMUONSA-N 2 0 304.482 2.790 20 0 DFADRP C[N@H+](CCCNC(=O)[C@@H]1C[C@@H]2CCCC[NH+]2C1)C1CCCCC1 ZINC000081524726 398356108 /nfs/dbraw/zinc/35/61/08/398356108.db2.gz YTDMWCLNWHDHPW-AEFFLSMTSA-N 2 0 321.509 2.632 20 0 DFADRP CCCCCNC(=O)[C@@H](C)[N@@H+]1CCC[C@H](n2ccnc2C)C1 ZINC000591906978 398349374 /nfs/dbraw/zinc/34/93/74/398349374.db2.gz WUWIEXJWQWUUEW-ZBFHGGJFSA-N 2 0 306.454 2.523 20 0 DFADRP CC(C)OC1CC([NH+]2CCC(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)C1 ZINC000459331133 299082488 /nfs/dbraw/zinc/08/24/88/299082488.db2.gz URXYQSCUGRDUGB-CCZBSFLLSA-N 2 0 324.509 2.764 20 0 DFADRP C[N@H+](CC1CC1)C[C@H]1CC[NH+](CCCOCC(F)(F)F)C1 ZINC000081631296 398363482 /nfs/dbraw/zinc/36/34/82/398363482.db2.gz CWOBJZOTPSBXDR-CQSZACIVSA-N 2 0 308.388 2.619 20 0 DFADRP CC1CC[NH+](CCCNC(=O)CC[C@@H]([NH3+])c2ccccc2)CC1 ZINC000236701092 398363697 /nfs/dbraw/zinc/36/36/97/398363697.db2.gz WSFLPXLKCDWAKX-GOSISDBHSA-N 2 0 317.477 2.705 20 0 DFADRP O=C(NCCCCC[NH+]1CCCCC1)[C@H]1C[C@H]2CCCC[N@@H+]2C1 ZINC000081718441 398367780 /nfs/dbraw/zinc/36/77/80/398367780.db2.gz UFSHBEBHLRXDRO-ZWKOTPCHSA-N 2 0 321.509 2.633 20 0 DFADRP COc1cccc([C@@H](CNC2CC[NH+](C(C)C)CC2)[NH+](C)C)c1 ZINC000237308861 398369500 /nfs/dbraw/zinc/36/95/00/398369500.db2.gz OKGNWKCVEUYASD-LJQANCHMSA-N 2 0 319.493 2.760 20 0 DFADRP Cc1ccc(NC(=O)C[C@H](C)[NH2+]C[C@@H]2CCCN2C)c(C)c1 ZINC000237581323 398371895 /nfs/dbraw/zinc/37/18/95/398371895.db2.gz SBCOSBLPYRYSNP-HOTGVXAUSA-N 2 0 303.450 2.704 20 0 DFADRP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@@H+]2C[C@H]1C[C@H]1c1ccccc1 ZINC000355218355 282215402 /nfs/dbraw/zinc/21/54/02/282215402.db2.gz HSXNRLPNUUETLU-OBKDMQGPSA-N 2 0 314.473 2.974 20 0 DFADRP C[C@H]1CCCC[C@@H]1[NH2+]Cc1ccc(C(=O)NCC[NH+](C)C)cc1 ZINC000090038840 185279145 /nfs/dbraw/zinc/27/91/45/185279145.db2.gz WNXWYJGKHKPEDM-YJBOKZPZSA-N 2 0 317.477 2.646 20 0 DFADRP CCC[N@H+](CC)Cc1ccc(C(=O)N[C@H]2CC[NH2+][C@H](C)C2)cc1 ZINC000278209132 214025310 /nfs/dbraw/zinc/02/53/10/214025310.db2.gz HLBQLOWEOZLCJH-QAPCUYQASA-N 2 0 317.477 2.789 20 0 DFADRP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@@H+]2CC1CCC(F)(F)CC1 ZINC000459374806 299090126 /nfs/dbraw/zinc/09/01/26/299090126.db2.gz YHLRFVXPAHAKET-OWCLPIDISA-N 2 0 316.436 2.995 20 0 DFADRP CCO[C@@H]1C[C@H]([NH2+]CCCC[N@@H+]2CCC[C@H](C)C2)[C@H]1SC ZINC000459374781 299090951 /nfs/dbraw/zinc/09/09/51/299090951.db2.gz MFSCVUUAZBHWEM-MWDXBVQZSA-N 2 0 314.539 2.997 20 0 DFADRP C[C@@H]1CCC[C@H](C[NH2+]Cc2ccnc(N3CC[NH+](C)CC3)c2)C1 ZINC000092561588 185326013 /nfs/dbraw/zinc/32/60/13/185326013.db2.gz LVZIBKUYNOFVGA-SJORKVTESA-N 2 0 316.493 2.749 20 0 DFADRP C[NH+]1CCC(C[NH2+]C2CCC(C(=O)OC(C)(C)C)CC2)CC1 ZINC000092565126 185326381 /nfs/dbraw/zinc/32/63/81/185326381.db2.gz VVMADKPSGFPCLB-UHFFFAOYSA-N 2 0 310.482 2.818 20 0 DFADRP Cc1cc(F)c(C[NH2+][C@@H](C)CN2CCN(C)CC2)c(Cl)c1 ZINC000459394819 299095157 /nfs/dbraw/zinc/09/51/57/299095157.db2.gz BGIWXSYYASYKLA-ZDUSSCGKSA-N 2 0 313.848 2.513 20 0 DFADRP CC[NH+]1CCN(C[C@H](C)C[NH2+]CCc2ccc(Cl)cc2)CC1 ZINC000459402250 299097487 /nfs/dbraw/zinc/09/74/87/299097487.db2.gz FVAAYACCPVPGBW-MRXNPFEDSA-N 2 0 323.912 2.746 20 0 DFADRP C[NH+]1CCC2(CC1)C[N@H+](CCSC1CCCCC1)CCO2 ZINC000592183860 398399183 /nfs/dbraw/zinc/39/91/83/398399183.db2.gz CGNTUCRPSFJSGX-UHFFFAOYSA-N 2 0 312.523 2.849 20 0 DFADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]C[C@H]1CCCCN1C1CC1 ZINC000584714328 398401438 /nfs/dbraw/zinc/40/14/38/398401438.db2.gz ISTWSXUFQYFEQO-CXAGYDPISA-N 2 0 302.466 2.516 20 0 DFADRP OC[C@@H]1CCC[N@@H+]1CCCC[NH2+]CCc1ccc(Cl)cc1 ZINC000459421745 299102181 /nfs/dbraw/zinc/10/21/81/299102181.db2.gz ZNLBLLONWJKDJW-KRWDZBQOSA-N 2 0 310.869 2.709 20 0 DFADRP C[NH+]1CCN(C(C)(C)C[NH2+]Cc2ccc(Cl)s2)CC1 ZINC000021815552 398414223 /nfs/dbraw/zinc/41/42/23/398414223.db2.gz ZRLYQSJWEYPIRJ-UHFFFAOYSA-N 2 0 301.887 2.517 20 0 DFADRP COC(=O)c1csc([C@@H](C)[NH2+]Cc2ccc(C[NH3+])cc2)c1 ZINC000592470966 398430962 /nfs/dbraw/zinc/43/09/62/398430962.db2.gz PRFJZFNBWZCRLL-LLVKDONJSA-N 2 0 304.415 2.844 20 0 DFADRP C[NH+](C)[C@H](CNC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2[NH2+]1)C1CCCCC1 ZINC000262658178 398433551 /nfs/dbraw/zinc/43/35/51/398433551.db2.gz DVHFCEFZGKQFFF-XWTMOSNGSA-N 2 0 321.509 2.534 20 0 DFADRP COC(=O)c1ccccc1C[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000592491670 398433761 /nfs/dbraw/zinc/43/37/61/398433761.db2.gz GLJQQDWOIMKBIT-CVEARBPZSA-N 2 0 316.445 2.685 20 0 DFADRP C[C@@H](CC(=O)NCC(C)(C)[N@@H+]1CCC[C@@H](C)C1)[C@H]1CCC[NH2+]C1 ZINC000263234690 398434191 /nfs/dbraw/zinc/43/41/91/398434191.db2.gz DCPHCEGQEQAIGG-IKGGRYGDSA-N 2 0 323.525 2.639 20 0 DFADRP Cn1cncc1CC[N@@H+]1CCC[C@H](OCc2ccccc2F)C1 ZINC000459447256 299108670 /nfs/dbraw/zinc/10/86/70/299108670.db2.gz UPSKNLOJVVPKPV-KRWDZBQOSA-N 2 0 317.408 2.783 20 0 DFADRP CC[C@H]([NH2+]C1CCN(c2cc[nH+]cc2)CC1)C1CCOCC1 ZINC000459447241 299108466 /nfs/dbraw/zinc/10/84/66/299108466.db2.gz UKVXFAZRFSNVDR-SFHVURJKSA-N 2 0 303.450 2.845 20 0 DFADRP C[C@H]1C[N@H+](C)CC[C@@H]1[NH2+]CCc1nc(-c2ccccn2)cs1 ZINC000090044350 398474414 /nfs/dbraw/zinc/47/44/14/398474414.db2.gz PYIWJSCQHPEAFU-KBPBESRZSA-N 2 0 316.474 2.677 20 0 DFADRP CC[C@@]1(C)COCC[N@@H+]1Cc1ccc(OCC[NH+](C)C)cc1 ZINC000681490915 545652645 /nfs/dbraw/zinc/65/26/45/545652645.db2.gz FEOWYXHEZCVZAD-SFHVURJKSA-N 2 0 306.450 2.628 20 0 DFADRP c1ccc2nc(NCC[NH2+][C@@H]3CC[N@@H+]4CCC[C@@H]4C3)ccc2c1 ZINC000090229576 398485471 /nfs/dbraw/zinc/48/54/71/398485471.db2.gz FCVPHZDYDFGMCU-IAGOWNOFSA-N 2 0 310.445 2.863 20 0 DFADRP COC(=O)c1cc([C@@H](C)N2CC[C@]3(C2)CCC[N@H+](C)C3)oc1C ZINC000292893452 398487099 /nfs/dbraw/zinc/48/70/99/398487099.db2.gz GBKCYVFEWMYNPI-FZKQIMNGSA-N 2 0 320.433 2.853 20 0 DFADRP c1[nH]nc2c1C[C@@H]([NH2+]C1CC[NH+](C3CCCCC3)CC1)CC2 ZINC000090455193 398487272 /nfs/dbraw/zinc/48/72/72/398487272.db2.gz MMJLDLCLEMQWQE-INIZCTEOSA-N 2 0 302.466 2.654 20 0 DFADRP c1[nH]nc2c1C[C@H]([NH2+]C1CC[NH+](C3CCCCC3)CC1)CC2 ZINC000090455194 398487327 /nfs/dbraw/zinc/48/73/27/398487327.db2.gz MMJLDLCLEMQWQE-MRXNPFEDSA-N 2 0 302.466 2.654 20 0 DFADRP COCCCOc1cccc(C[NH2+][C@H]2CC[N@H+](C)C[C@@H]2C)c1 ZINC000090718706 398491929 /nfs/dbraw/zinc/49/19/29/398491929.db2.gz HVPFQBWEKOSUAF-YJBOKZPZSA-N 2 0 306.450 2.532 20 0 DFADRP CC[N@@H+]1CC[C@H]([NH2+]CCOCc2cccc(OC)c2)[C@H](C)C1 ZINC000090806495 398492997 /nfs/dbraw/zinc/49/29/97/398492997.db2.gz ZOEFIKPFZWHDSI-QAPCUYQASA-N 2 0 306.450 2.532 20 0 DFADRP COc1cccc(COCC[NH2+][C@@H]2C[C@H](C)[N@H+](C)C[C@H]2C)c1 ZINC000090806937 398492682 /nfs/dbraw/zinc/49/26/82/398492682.db2.gz GYKHDYOKWPZLTJ-RVKKMQEKSA-N 2 0 306.450 2.530 20 0 DFADRP CCOCCC1(C[NH2+][C@@H]2CC[N@H+](C[C@@H]3CCCO3)C[C@@H]2C)CC1 ZINC000090723246 398492825 /nfs/dbraw/zinc/49/28/25/398492825.db2.gz QXTDKKVAXDPDHB-OKZBNKHCSA-N 2 0 324.509 2.672 20 0 DFADRP C[C@H](CCO)[NH2+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000272705142 210108789 /nfs/dbraw/zinc/10/87/89/210108789.db2.gz UAYMNQAZOVREFG-OQIJWPOYSA-N 2 0 302.462 2.648 20 0 DFADRP CCCC[NH+]1CCC(NC(=O)[C@H](C(C)C)[NH+]2CCCCC2)CC1 ZINC000068450078 398504616 /nfs/dbraw/zinc/50/46/16/398504616.db2.gz CSDWFHTZNRTISF-SFHVURJKSA-N 2 0 323.525 2.878 20 0 DFADRP CC(C)(C)OC(=O)[C@]1(C)CC[N@H+](CCC[NH+]2CCCCC2)C1 ZINC000459558893 299132798 /nfs/dbraw/zinc/13/27/98/299132798.db2.gz JYUOSUYNOVGTIO-GOSISDBHSA-N 2 0 310.482 2.916 20 0 DFADRP COc1cc([C@H](C)[NH2+]CC2CC[NH+](C)CC2)cc(OC)c1OC ZINC000121198750 185763299 /nfs/dbraw/zinc/76/32/99/185763299.db2.gz FVOHEMFXDKAIIZ-ZDUSSCGKSA-N 2 0 322.449 2.705 20 0 DFADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+][C@H](C)c2ccc(F)cc2)CC1 ZINC000121347171 185784686 /nfs/dbraw/zinc/78/46/86/185784686.db2.gz WJWXBQPTZMQHHN-JKSUJKDBSA-N 2 0 307.457 2.750 20 0 DFADRP C[N@@H+]1CCCC[C@@H]1CC[NH+]1CC[C@@](C)(C(=O)OC(C)(C)C)C1 ZINC000459592649 299143083 /nfs/dbraw/zinc/14/30/83/299143083.db2.gz VEZRWJWNOMUJQA-CRAIPNDOSA-N 2 0 310.482 2.915 20 0 DFADRP CC[C@H]([NH2+]Cc1ccncc1OCCC[NH+](C)C)[C@@H]1C[C@@H]1C ZINC000414123825 295769988 /nfs/dbraw/zinc/76/99/88/295769988.db2.gz BXJNBWHSQVEXPZ-UAGQMJEPSA-N 2 0 305.466 2.936 20 0 DFADRP Cc1cc2ncc([C@@H](C)[NH2+]CC3(C)CC[NH+](C)CC3)c(C)n2n1 ZINC000272616170 210017191 /nfs/dbraw/zinc/01/71/91/210017191.db2.gz XGKXJIOLWSFTRP-CQSZACIVSA-N 2 0 315.465 2.729 20 0 DFADRP C[N@H+](CCCC[NH2+]C1CCN(c2cc[nH+]cc2)CC1)C1CC1 ZINC000459599516 299145306 /nfs/dbraw/zinc/14/53/06/299145306.db2.gz QZBGULDEGZHXKI-UHFFFAOYSA-N 3 0 302.466 2.514 20 0 DFADRP O[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000272612509 210014231 /nfs/dbraw/zinc/01/42/31/210014231.db2.gz WOBKMHWOVIVDIS-UHZRXMQZSA-N 2 0 314.473 2.790 20 0 DFADRP CSC1(C[NH2+][C@H]2CCN(c3ccccc3)C2)CC[NH+](C)CC1 ZINC000589326125 398545736 /nfs/dbraw/zinc/54/57/36/398545736.db2.gz ZPVLEYZEQJFBEB-INIZCTEOSA-N 2 0 319.518 2.682 20 0 DFADRP CCCC[N@H+](C)CC1CCN(C(=O)CC[C@@H]2CCC[NH2+]C2)CC1 ZINC000320859271 398549781 /nfs/dbraw/zinc/54/97/81/398549781.db2.gz QAUGHBGQKKKOGO-KRWDZBQOSA-N 2 0 323.525 2.737 20 0 DFADRP C[NH+]1CCC(C)(C[NH2+]Cc2cnc3ccc(Cl)cn23)CC1 ZINC000272605886 210004070 /nfs/dbraw/zinc/00/40/70/210004070.db2.gz SWGLXRQKYLLBOQ-UHFFFAOYSA-N 2 0 306.841 2.809 20 0 DFADRP COc1cc(OC)c(OC)cc1CNC[C@H]1CC[N@@H+](C(C)C)C1 ZINC000321186062 398551672 /nfs/dbraw/zinc/55/16/72/398551672.db2.gz ULCXDMLOWDBWGW-CQSZACIVSA-N 2 0 322.449 2.532 20 0 DFADRP CCC(O)(CC)C[NH2+]Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000069160668 398554028 /nfs/dbraw/zinc/55/40/28/398554028.db2.gz KLTQBFKJOPJMGK-UHFFFAOYSA-N 2 0 320.477 2.802 20 0 DFADRP COC(=O)c1ccc(C[NH2+]CCCCC[NH+]2CCCC2)cc1F ZINC000597135157 398573054 /nfs/dbraw/zinc/57/30/54/398573054.db2.gz HNDFDGJZZNPSEJ-UHFFFAOYSA-N 2 0 322.424 2.968 20 0 DFADRP Cc1cc([C@H](C)[NH2+]CC(=O)NC2CC[NH+](C(C)C)CC2)c(C)o1 ZINC000331345475 233130540 /nfs/dbraw/zinc/13/05/40/233130540.db2.gz LQBPDMGIPGBGLF-AWEZNQCLSA-N 2 0 321.465 2.536 20 0 DFADRP C[C@H]1CCC[C@H]([NH+]2CCC([NH2+]CCc3cn(C)cn3)CC2)C1 ZINC000459662797 299158612 /nfs/dbraw/zinc/15/86/12/299158612.db2.gz ODIWQGSVASGSSN-YJBOKZPZSA-N 2 0 304.482 2.595 20 0 DFADRP CS[C@@H]1CC[C@H]1[NH2+]CC1CC[NH+](Cc2ccncc2)CC1 ZINC000597193103 398586354 /nfs/dbraw/zinc/58/63/54/398586354.db2.gz VDHMPIMYUOSHSA-IAGOWNOFSA-N 2 0 305.491 2.777 20 0 DFADRP Cc1ccc(C[NH+]2CCC(CCC[NH+]3CCCC3)CC2)nn1 ZINC000414404954 295798004 /nfs/dbraw/zinc/79/80/04/295798004.db2.gz IPYGGIRGCUBHNS-UHFFFAOYSA-N 2 0 302.466 2.873 20 0 DFADRP COC(=O)[C@H]1C[C@H]([NH2+]C2CC[NH+]([C@H]3CCCC[C@@H]3C)CC2)C1 ZINC000597243649 398604449 /nfs/dbraw/zinc/60/44/49/398604449.db2.gz TURQULGKEXCDSJ-OTRWWLKZSA-N 2 0 308.466 2.571 20 0 DFADRP CCO[C@@H]1C[C@H]([NH2+]C[C@H]2CCC[N@H+](CC3CC3)C2)[C@@H]1SC ZINC000597257793 398609218 /nfs/dbraw/zinc/60/92/18/398609218.db2.gz WIEGFJVCRHDQRD-TWMKSMIVSA-N 2 0 312.523 2.607 20 0 DFADRP CSCc1cnc(CN(C)C[C@H]2CCc3nccn3C2)s1 ZINC000590363328 398616992 /nfs/dbraw/zinc/61/69/92/398616992.db2.gz AATVIOBVPACFJH-GFCCVEGCSA-N 2 0 322.503 2.897 20 0 DFADRP Cc1cccn2cc(Cc3noc(C[C@@H](C)n4ccnc4)n3)nc12 ZINC000351440434 398634586 /nfs/dbraw/zinc/63/45/86/398634586.db2.gz ODERLBANYHPMKX-CYBMUJFWSA-N 2 0 322.372 2.617 20 0 DFADRP C[N@H+](CCCO)C1CC[NH+](C[C@@H]2C[C@@H]2c2ccccc2)CC1 ZINC000093394989 398635386 /nfs/dbraw/zinc/63/53/86/398635386.db2.gz RYFGDTUHFMUVNI-PKOBYXMFSA-N 2 0 302.462 2.569 20 0 DFADRP C[C@@H]([NH2+]C1CCN(CC[NH+](C)C)CC1)c1ccc(F)c(F)c1 ZINC000173313461 186175495 /nfs/dbraw/zinc/17/54/95/186175495.db2.gz JJELSNJKPAPJEP-CYBMUJFWSA-N 2 0 311.420 2.641 20 0 DFADRP CC[NH+]1CCN(CCC[NH2+][C@H](C)c2ccc(F)c(F)c2)CC1 ZINC000173319227 186176246 /nfs/dbraw/zinc/17/62/46/186176246.db2.gz PKKSYEURFWHIOV-CQSZACIVSA-N 2 0 311.420 2.643 20 0 DFADRP CC[NH+]1CCC(C[NH2+]Cc2c(C)nc3sc(C)cn23)CC1 ZINC000044517716 398646838 /nfs/dbraw/zinc/64/68/38/398646838.db2.gz CABHRICNYRVVLI-UHFFFAOYSA-N 2 0 306.479 2.834 20 0 DFADRP COC(=O)CCC[NH2+]C1[C@@H](C)C[NH+](Cc2ccccc2)C[C@@H]1C ZINC000189951626 186253898 /nfs/dbraw/zinc/25/38/98/186253898.db2.gz NDQAWHNRCKIVAC-HOTGVXAUSA-N 2 0 318.461 2.686 20 0 DFADRP COc1cc(C[NH2+]CCCC[NH+]2C[C@@H](C)O[C@H](C)C2)ccc1C ZINC000194267983 186274922 /nfs/dbraw/zinc/27/49/22/186274922.db2.gz UGFZDEHGIABEMH-IAGOWNOFSA-N 2 0 320.477 2.983 20 0 DFADRP C[C@H]1C[C@H](C[NH+]2CCN(Cc3ccc(Cl)cc3)CC2)CC[NH2+]1 ZINC000414677339 295814903 /nfs/dbraw/zinc/81/49/03/295814903.db2.gz IZARNXULWRBIKM-DOTOQJQBSA-N 2 0 321.896 2.846 20 0 DFADRP CCN(CC)C(=O)C1([NH2+]C[C@H]2CC[NH2+][C@@H](C)C2)CCCCC1 ZINC000414697540 295817225 /nfs/dbraw/zinc/81/72/25/295817225.db2.gz CDKCNWAFBPGXSJ-HOTGVXAUSA-N 2 0 309.498 2.535 20 0 DFADRP COc1ccc2c(c1)C[C@@H]([NH2+]CC1(C)CC[NH+](C)CC1)CC2 ZINC000272592837 186421593 /nfs/dbraw/zinc/42/15/93/186421593.db2.gz SGRBFESZOFPBOT-KRWDZBQOSA-N 2 0 302.462 2.874 20 0 DFADRP CC(C)[NH+]1CCN([C@@H]2CC[N@H+](C[C@H]3CCC(F)(F)C3)C2)CC1 ZINC000590698963 398654188 /nfs/dbraw/zinc/65/41/88/398654188.db2.gz QXFYYICOAWXTDL-JKSUJKDBSA-N 2 0 315.452 2.522 20 0 DFADRP COCCOc1cccc(C[NH2+]CC[C@H]2CCC[N@H+](C)C2)c1 ZINC000459734893 299176794 /nfs/dbraw/zinc/17/67/94/299176794.db2.gz OTSODPQWMRDQTN-MRXNPFEDSA-N 2 0 306.450 2.533 20 0 DFADRP FC(F)(F)COc1cccc(C[NH2+]C[C@H]2CCC[NH2+]C2)c1 ZINC000414831805 295823508 /nfs/dbraw/zinc/82/35/08/295823508.db2.gz PUJPSUBHTBJICE-ZDUSSCGKSA-N 2 0 302.340 2.717 20 0 DFADRP CC[C@H](Cc1ccc(OC)c(OC)c1)[NH2+]C[C@@H]1CCC[NH2+]C1 ZINC000414837030 295824317 /nfs/dbraw/zinc/82/43/17/295824317.db2.gz VJFQMBFDMAVLAU-HZPDHXFCSA-N 2 0 306.450 2.614 20 0 DFADRP c1cc(COc2ccc(C[NH2+]C[C@H]3CCC[NH2+]C3)cc2)ccn1 ZINC000414837796 295824353 /nfs/dbraw/zinc/82/43/53/295824353.db2.gz VWLLDPRESZXNBH-SFHVURJKSA-N 2 0 311.429 2.750 20 0 DFADRP COc1ccc(C[C@H](C)C[NH2+]CC[C@@H]2CCC[NH2+]C2)cc1F ZINC000414835923 295824208 /nfs/dbraw/zinc/82/42/08/295824208.db2.gz ITCPLKSHKVLQSA-GJZGRUSLSA-N 2 0 308.441 2.992 20 0 DFADRP Cn1cc(C[NH2+]CC[C@H]2CCC[N@H+](C)C2)c(-c2cccs2)n1 ZINC000459742388 299179053 /nfs/dbraw/zinc/17/90/53/299179053.db2.gz WBNJMDXJYLPFSG-CQSZACIVSA-N 2 0 318.490 2.970 20 0 DFADRP C[C@H](Cc1ccccc1)C[NH+]1CCC([N@H+](C)CCCO)CC1 ZINC000182040494 199378420 /nfs/dbraw/zinc/37/84/20/199378420.db2.gz YBAQUDDQADYUKZ-QGZVFWFLSA-N 2 0 304.478 2.644 20 0 DFADRP Cn1cc(C[NH2+]CC[C@@H]2CCC[NH2+]C2)c(-c2cccs2)n1 ZINC000414854108 295826384 /nfs/dbraw/zinc/82/63/84/295826384.db2.gz TWZQCKBLTWDDSO-ZDUSSCGKSA-N 2 0 304.463 2.628 20 0 DFADRP CCOc1ccc(C[NH2+][C@@H](C)[C@@H]2CCC[NH2+]C2)cc1OCC ZINC000414854685 295826433 /nfs/dbraw/zinc/82/64/33/295826433.db2.gz MEYILUZGYVCMBW-GOEBONIOSA-N 2 0 306.450 2.962 20 0 DFADRP CSc1cc2c(cc1C[NH2+]CC[C@H]1CCC[NH2+]C1)OCCO2 ZINC000414854045 295826451 /nfs/dbraw/zinc/82/64/51/295826451.db2.gz SZINCTJXVIMPLR-CYBMUJFWSA-N 2 0 322.474 2.659 20 0 DFADRP COC[C@H](CC(C)(C)C)[NH2+]CC1(SC)CC[NH+](C)CC1 ZINC000593629650 398663967 /nfs/dbraw/zinc/66/39/67/398663967.db2.gz HDJRGHACAPRMOV-AWEZNQCLSA-N 2 0 302.528 2.855 20 0 DFADRP C[C@H](CC[NH3+])[NH2+]Cc1cc(Cl)ccc1OC[C@@H]1CCCO1 ZINC000414899470 295832281 /nfs/dbraw/zinc/83/22/81/295832281.db2.gz USPGJJRPHVPRAO-DOMZBBRYSA-N 2 0 312.841 2.725 20 0 DFADRP Cc1cccc(NC(=O)C[C@H](C)[NH2+]CC[C@H]2CCC[NH2+]2)c1C ZINC000414904440 295832709 /nfs/dbraw/zinc/83/27/09/295832709.db2.gz LJPBWAXQEOGZTF-GOEBONIOSA-N 2 0 303.450 2.752 20 0 DFADRP CCCc1ccc([C@@H](C)[NH2+]CCCN2CC[NH+](C)CC2)cc1 ZINC000120408479 282786377 /nfs/dbraw/zinc/78/63/77/282786377.db2.gz WTOCLJYCVNPDKT-QGZVFWFLSA-N 2 0 303.494 2.927 20 0 DFADRP COc1cc(C[NH2+]C[C@@]2(C)CCC[NH2+]C2)ccc1OC(F)F ZINC000414905261 295833064 /nfs/dbraw/zinc/83/30/64/295833064.db2.gz OGBRFFHFRNOZSQ-INIZCTEOSA-N 2 0 314.376 2.776 20 0 DFADRP c1cc(COc2ccc(C[NH2+]CC[C@H]3CCC[NH2+]3)cc2)ccn1 ZINC000414906944 295833094 /nfs/dbraw/zinc/83/30/94/295833094.db2.gz QBOBSHOYIMCJPT-GOSISDBHSA-N 2 0 311.429 2.892 20 0 DFADRP [NH3+]CCCC[NH2+]Cc1ccc(OC(F)F)c(Br)c1 ZINC000414912501 295834118 /nfs/dbraw/zinc/83/41/18/295834118.db2.gz UXTQYKFWFOTYFD-UHFFFAOYSA-N 2 0 323.181 2.879 20 0 DFADRP COc1ccc(C[NH2+][C@@H]2CCC[NH2+]CC2)cc1Br ZINC000414918903 295834899 /nfs/dbraw/zinc/83/48/99/295834899.db2.gz SYMWGOOTKIGZCS-GFCCVEGCSA-N 2 0 313.239 2.689 20 0 DFADRP Cc1ccc(NC(=O)C[C@@H](C)[NH2+]C[C@@H]2CC[NH2+]C2)cc1Cl ZINC000414916206 295834481 /nfs/dbraw/zinc/83/44/81/295834481.db2.gz PBBSHMQEFPIHHK-CHWSQXEVSA-N 2 0 309.841 2.565 20 0 DFADRP Cc1ccc(Cl)cc1NC(=O)C[C@H](C)[NH2+]C[C@@H]1CC[NH2+]C1 ZINC000414917019 295834612 /nfs/dbraw/zinc/83/46/12/295834612.db2.gz QUVCRQNXZVSAIC-QWHCGFSZSA-N 2 0 309.841 2.565 20 0 DFADRP Fc1cc(C[NH2+][C@H]2CCC[NH2+]CC2)ccc1Br ZINC000414920120 295835173 /nfs/dbraw/zinc/83/51/73/295835173.db2.gz WTDDJVCHBIYGSP-NSHDSACASA-N 2 0 301.203 2.820 20 0 DFADRP COc1cccc(C[NH2+][C@@H]2CCC[C@H]([NH3+])C2)c1OC(F)F ZINC000414922146 295835417 /nfs/dbraw/zinc/83/54/17/295835417.db2.gz GMIXKMUMSZJZLC-NWDGAFQWSA-N 2 0 300.349 2.656 20 0 DFADRP [NH3+][C@@H]1CCC[C@H]([NH2+]Cc2ccc(OCC(F)(F)F)cc2)C1 ZINC000414925806 295836131 /nfs/dbraw/zinc/83/61/31/295836131.db2.gz MICHQUJYEBAMEH-OLZOCXBDSA-N 2 0 302.340 2.987 20 0 DFADRP CCCCOc1ccc(C[NH2+][C@@H]2CC[NH2+]C[C@@H]2C)cc1OC ZINC000414960472 295841279 /nfs/dbraw/zinc/84/12/79/295841279.db2.gz QVIDXHIGKODUEA-GOEBONIOSA-N 2 0 306.450 2.962 20 0 DFADRP COc1ccc(C[NH2+][C@@H]2CC[NH2+]C[C@@H]2C)cc1OCC(C)C ZINC000414962190 295841512 /nfs/dbraw/zinc/84/15/12/295841512.db2.gz SEAUEPSKAHSONO-GOEBONIOSA-N 2 0 306.450 2.818 20 0 DFADRP CC[C@@H]([NH3+])CNC(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC000414965764 295841952 /nfs/dbraw/zinc/84/19/52/295841952.db2.gz NSSAVUWXKMFZMB-MRXNPFEDSA-N 2 0 318.465 2.574 20 0 DFADRP C[C@H]([NH3+])CCNC(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC000414972791 295842673 /nfs/dbraw/zinc/84/26/73/295842673.db2.gz YJENMYSUAKTMDE-HNNXBMFYSA-N 2 0 318.465 2.574 20 0 DFADRP COCC[C@@H](Cc1cccc(F)c1)[NH2+]CCC[C@H]1CCC[NH2+]1 ZINC000414981445 295843713 /nfs/dbraw/zinc/84/37/13/295843713.db2.gz XOCFNOODSQXURB-MSOLQXFVSA-N 2 0 308.441 2.895 20 0 DFADRP CCCN(CCC)C(=O)C[NH+]1CCC(C[N@H+](C)C(C)C)CC1 ZINC000590787184 398675496 /nfs/dbraw/zinc/67/54/96/398675496.db2.gz UBTPJSPZMQKENM-UHFFFAOYSA-N 2 0 311.514 2.687 20 0 DFADRP COc1ccc(CC[C@@H](C)[NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)cc1O ZINC000277165684 213340392 /nfs/dbraw/zinc/34/03/92/213340392.db2.gz GGPXCATVMPNRLD-GDBMZVCRSA-N 2 0 318.461 2.796 20 0 DFADRP COCC1(C[NH2+][C@@H]2CCC[C@H](C(F)(F)F)C2)CC[NH2+]CC1 ZINC000414980657 295843654 /nfs/dbraw/zinc/84/36/54/295843654.db2.gz WGRQBAOPNOMUNQ-QWHCGFSZSA-N 2 0 308.388 2.713 20 0 DFADRP CC(C)c1ccc(CC[NH2+]C[C@H](C)CN2CC[NH+](C)CC2)cc1 ZINC000122487843 282831024 /nfs/dbraw/zinc/83/10/24/282831024.db2.gz KIRGBRXOCDFCBW-SFHVURJKSA-N 2 0 317.521 2.826 20 0 DFADRP [NH3+][C@@H]1CCC[C@@H](C[NH2+]Cc2c[nH]nc2-c2ccccc2F)C1 ZINC000415004531 295846492 /nfs/dbraw/zinc/84/64/92/295846492.db2.gz YEJQGVWBMDUWLV-TZMCWYRMSA-N 2 0 302.397 2.823 20 0 DFADRP Cc1nc(COc2ccc(C[NH2+][C@@H](C)CCCC[NH3+])cc2)no1 ZINC000415016015 295847571 /nfs/dbraw/zinc/84/75/71/295847571.db2.gz OTVLQQUFCYTRHW-ZDUSSCGKSA-N 2 0 318.421 2.564 20 0 DFADRP C[C@@H](CC(=O)Nc1cccc(F)c1)[NH2+]C[C@H]1CC[C@H](C[NH3+])CC1 ZINC000415020070 295847950 /nfs/dbraw/zinc/84/79/50/295847950.db2.gz GCYYEBBGDQSADH-KKUMJFAQSA-N 2 0 321.440 2.898 20 0 DFADRP C[C@H](CC(=O)Nc1ccc(F)cc1)[NH2+]C[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000415013968 295847296 /nfs/dbraw/zinc/84/72/96/295847296.db2.gz ZBNMIDSERUEZBO-UMVBOHGHSA-N 2 0 307.413 2.650 20 0 DFADRP [NH3+][C@H]1CCC[C@@H](C[NH2+]Cc2ncc(Br)s2)C1 ZINC000415013228 295847485 /nfs/dbraw/zinc/84/74/85/295847485.db2.gz YEWDTQAKFPFVIK-BDAKNGLRSA-N 2 0 304.257 2.513 20 0 DFADRP COc1cc(C[NH2+][C@H](C)CCC[NH3+])ccc1OCC(F)(F)F ZINC000415022288 295848143 /nfs/dbraw/zinc/84/81/43/295848143.db2.gz LFLRXCRODFGRAX-LLVKDONJSA-N 2 0 320.355 2.853 20 0 DFADRP Cc1csc(N2CCC([NH2+]C[C@H]3CC[C@H](C[NH3+])CC3)CC2)n1 ZINC000415024667 295848196 /nfs/dbraw/zinc/84/81/96/295848196.db2.gz NYHLKUNYIVLKEO-SHTZXODSSA-N 2 0 322.522 2.775 20 0 DFADRP [NH3+]C[C@@H]1CC[C@@H]([NH2+]Cc2c[nH]nc2-c2cccc(Cl)c2)C1 ZINC000415029113 295848547 /nfs/dbraw/zinc/84/85/47/295848547.db2.gz DHJUGOWGMLWRSU-IAQYHMDHSA-N 2 0 304.825 2.947 20 0 DFADRP COc1ccc(Br)cc1C[NH2+][C@H]1CC[C@H](C[NH3+])C1 ZINC000415028709 295848549 /nfs/dbraw/zinc/84/85/49/295848549.db2.gz DDHXDTJDAZGUJG-GWCFXTLKSA-N 2 0 313.239 2.675 20 0 DFADRP COc1cc(Br)ccc1C[NH2+][C@H]1CC[C@H](C[NH3+])C1 ZINC000415036012 295849690 /nfs/dbraw/zinc/84/96/90/295849690.db2.gz KZXQWPKITMYUMF-GWCFXTLKSA-N 2 0 313.239 2.675 20 0 DFADRP [NH3+]CCC[C@H]([NH2+]C1CCN(CC(F)F)CC1)c1ccccc1 ZINC000415056770 295852506 /nfs/dbraw/zinc/85/25/06/295852506.db2.gz QRMHEOVZWYBKBP-INIZCTEOSA-N 2 0 311.420 2.786 20 0 DFADRP COc1cc(C[NH2+][C@@H](C)CCCC[NH3+])cc(Cl)c1OC ZINC000415057922 295852916 /nfs/dbraw/zinc/85/29/16/295852916.db2.gz HNFOPKSXHPJOBO-NSHDSACASA-N 2 0 300.830 2.964 20 0 DFADRP [NH3+]CCC[C@H]([NH2+]Cc1ccc(-n2cncn2)cc1)c1ccccc1 ZINC000415062121 295853570 /nfs/dbraw/zinc/85/35/70/295853570.db2.gz ZSHCZXRZTWSZHH-IBGZPJMESA-N 2 0 321.428 2.837 20 0 DFADRP Clc1cccc(-c2n[nH]cc2C[NH2+]CCC[NH2+]C2CC2)c1 ZINC000415064284 295853838 /nfs/dbraw/zinc/85/38/38/295853838.db2.gz CGQODQFWQPZLMQ-UHFFFAOYSA-N 2 0 304.825 2.962 20 0 DFADRP COc1ccc(C(C)(C)C[NH2+]C[C@H]2CC[NH2+][C@H](C)C2)cc1OC ZINC000415079011 295855225 /nfs/dbraw/zinc/85/52/25/295855225.db2.gz JLCIRIZAWSSQQY-CABCVRRESA-N 2 0 320.477 2.959 20 0 DFADRP C[C@@H](C[C@H]1CCC[NH2+]1)[NH2+]CCc1nccn1Cc1ccccc1 ZINC000415085585 295856227 /nfs/dbraw/zinc/85/62/27/295856227.db2.gz QWGRYOUQSZTCPX-FUHWJXTLSA-N 2 0 312.461 2.594 20 0 DFADRP Cc1cccc([C@@H](C)[NH2+]Cc2ccc(N3CC[NH+](C)CC3)nc2)c1 ZINC000173857141 198261183 /nfs/dbraw/zinc/26/11/83/198261183.db2.gz SGQXRDDBWBELGW-QGZVFWFLSA-N 2 0 324.472 2.993 20 0 DFADRP C[C@@H]1C[C@@H](C[NH2+][C@@H](c2ccn(C)n2)c2ccc(F)cc2)CC[NH2+]1 ZINC000415089681 295856720 /nfs/dbraw/zinc/85/67/20/295856720.db2.gz ZGCSLAVFPIWDKO-QWQRMKEZSA-N 2 0 316.424 2.626 20 0 DFADRP C[C@@H]([NH2+]CCCc1nc(-c2ccncc2)cs1)[C@H]1CC[NH2+]C1 ZINC000415084387 295855933 /nfs/dbraw/zinc/85/59/33/295855933.db2.gz PAXNCELXSJYALV-HIFRSBDPSA-N 2 0 316.474 2.725 20 0 DFADRP C[C@@H]([NH2+]C1CCN(Cc2ccc(F)c(F)c2)CC1)[C@@H]1CC[NH2+]C1 ZINC000415096323 295857323 /nfs/dbraw/zinc/85/73/23/295857323.db2.gz BCUKMLXXQQMNFW-UKRRQHHQSA-N 2 0 323.431 2.517 20 0 DFADRP [NH3+]CC1CCC([NH2+]CCc2nc(-c3ccccn3)cs2)CC1 ZINC000415100850 295857956 /nfs/dbraw/zinc/85/79/56/295857956.db2.gz IGXJYEIJTHKQFH-UHFFFAOYSA-N 2 0 316.474 2.855 20 0 DFADRP CC[NH+]1CCN(c2cccc(N[C@H](C)C[C@H]3CCC[NH2+]3)c2)CC1 ZINC000415101839 295858103 /nfs/dbraw/zinc/85/81/03/295858103.db2.gz IJGPZNXGFNNEFW-IAGOWNOFSA-N 2 0 316.493 2.771 20 0 DFADRP C[C@@H]1C[C@@H](C[NH2+]Cc2cccc(NC(=O)C3CCC3)c2)CC[NH2+]1 ZINC000415104902 295858708 /nfs/dbraw/zinc/85/87/08/295858708.db2.gz LSUYXKUBMCYDQO-ZBFHGGJFSA-N 2 0 315.461 2.903 20 0 DFADRP CC(C)[N@H+](C)Cc1ccccc1C[NH2+]Cc1ccc(CO)o1 ZINC000174268190 198313043 /nfs/dbraw/zinc/31/30/43/198313043.db2.gz PWGRRTPYSXDQEV-UHFFFAOYSA-N 2 0 302.418 2.902 20 0 DFADRP [NH3+][C@H]1CCO[C@@H](C2CC[NH+](Cc3ccc(F)c(F)c3)CC2)C1 ZINC000415130496 295862545 /nfs/dbraw/zinc/86/25/45/295862545.db2.gz XBWVZFAXIROGNS-WMLDXEAASA-N 2 0 310.388 2.683 20 0 DFADRP [NH3+][C@H]1CCO[C@H](C2CC[NH+](Cc3cccc(F)c3F)CC2)C1 ZINC000415128942 295862090 /nfs/dbraw/zinc/86/20/90/295862090.db2.gz SWBPUYPGQJOVEI-HOCLYGCPSA-N 2 0 310.388 2.683 20 0 DFADRP C[C@H]1CCC[C@@H]1[NH2+]CC1(N)CC[NH+](Cc2ccccc2)CC1 ZINC000415132675 295862810 /nfs/dbraw/zinc/86/28/10/295862810.db2.gz LLJRFMBBQOWAJS-WMZOPIPTSA-N 2 0 301.478 2.758 20 0 DFADRP CCC[NH+]1CCN(c2ccccc2C[NH+]2CCSCC2)CC1 ZINC000126194667 282903336 /nfs/dbraw/zinc/90/33/36/282903336.db2.gz ZETOZVGKXZAZAC-UHFFFAOYSA-N 2 0 319.518 2.767 20 0 DFADRP CC(C)c1nc([C@@H](C)[NH2+]CC(C)(C)N2CC[NH+](C)CC2)cs1 ZINC000681107649 545597405 /nfs/dbraw/zinc/59/74/05/545597405.db2.gz XSHSJHMSEZZNQH-CQSZACIVSA-N 2 0 324.538 2.943 20 0 DFADRP CC[C@H]1CCCC[N@@H+]1CCNC(=O)C1(C[NH+](C)C)CCCCC1 ZINC000460199394 299211216 /nfs/dbraw/zinc/21/12/16/299211216.db2.gz CFYUHUKYIMXPHH-KRWDZBQOSA-N 2 0 323.525 2.879 20 0 DFADRP Cn1c2ccccc2nc1CC[N@@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000277050562 213264499 /nfs/dbraw/zinc/26/44/99/213264499.db2.gz CJKRCCCROPCUKT-HNNXBMFYSA-N 2 0 300.450 2.532 20 0 DFADRP CC(C)[NH+](CCNC(=O)[C@@H](C)[C@H]([NH3+])c1ccccc1)C(C)C ZINC000236783248 202005978 /nfs/dbraw/zinc/00/59/78/202005978.db2.gz PNXHWDZZSKHQSK-RDJZCZTQSA-N 2 0 305.466 2.558 20 0 DFADRP C[NH+](C)[C@@H]1CCc2cc(NC(=O)NC3CCC([NH3+])CC3)ccc21 ZINC000332536805 235069409 /nfs/dbraw/zinc/06/94/09/235069409.db2.gz BCSOLMIRMOOPEC-MQBCKMQZSA-N 2 0 316.449 2.627 20 0 DFADRP CC[NH2+]Cc1cccc(NC(=O)N2CC[C@H]([NH+](CC)CC)C2)c1 ZINC000415903371 295900249 /nfs/dbraw/zinc/90/02/49/295900249.db2.gz DUWJCIKZOKSJRL-KRWDZBQOSA-N 2 0 318.465 2.744 20 0 DFADRP CCC(CC)[C@@H](CNC(=O)Nc1ccccc1C[NH2+]C)[NH+](C)C ZINC000415912680 295901198 /nfs/dbraw/zinc/90/11/98/295901198.db2.gz MLYNFMOECVERIV-QGZVFWFLSA-N 2 0 320.481 2.894 20 0 DFADRP C[NH+](C)[C@H]1CCc2cc(NC(=O)N3CCCC[C@H]3C[NH3+])ccc21 ZINC000332620470 235208389 /nfs/dbraw/zinc/20/83/89/235208389.db2.gz HSZFBYICWWSJMT-RDJZCZTQSA-N 2 0 316.449 2.581 20 0 DFADRP CC[NH2+]Cc1ccccc1NC(=O)N[C@@H](C)C(C)(C)C[NH+](C)C ZINC000415961750 295906306 /nfs/dbraw/zinc/90/63/06/295906306.db2.gz WKKHSNIQFHZFPF-AWEZNQCLSA-N 2 0 320.481 2.894 20 0 DFADRP C[NH2+]Cc1ccc(NC(=O)N(C)[C@H](C)C2CC[NH+](C)CC2)cc1 ZINC000415984162 295908523 /nfs/dbraw/zinc/90/85/23/295908523.db2.gz OXRYEVOEMWOFQQ-CQSZACIVSA-N 2 0 318.465 2.600 20 0 DFADRP CC(C)[NH+](CCN(C)C(=O)Nc1ccc2c(c1)C[NH2+]C2)C(C)C ZINC000416004663 295911133 /nfs/dbraw/zinc/91/11/33/295911133.db2.gz HBRAGEQSLHVMKV-UHFFFAOYSA-N 2 0 318.465 2.872 20 0 DFADRP C[C@@H]([NH2+][C@@H](C)C1CC[NH+](C)CC1)[C@H](c1ccccc1)N(C)C ZINC000681138226 545602809 /nfs/dbraw/zinc/60/28/09/545602809.db2.gz FXLVBNUQEWGFRT-FRQCXROJSA-N 2 0 303.494 2.998 20 0 DFADRP CCOC(=O)[C@@H]1CC[C@@H]([NH2+][C@@H]2CCC[NH2+]CC2)c2ccccc21 ZINC000591578220 398773219 /nfs/dbraw/zinc/77/32/19/398773219.db2.gz AHBNMQMOCIFTSL-ZTFGCOKTSA-N 2 0 316.445 2.900 20 0 DFADRP CC[C@H]([NH2+][C@H]1CC12CC[NH2+]CC2)c1ccc(C(=O)OC)cc1 ZINC000591580015 398773867 /nfs/dbraw/zinc/77/38/67/398773867.db2.gz GUVARVLKRZNEFR-HOTGVXAUSA-N 2 0 302.418 2.656 20 0 DFADRP CC[NH+](CC)[C@@H](CNC(=O)[C@@]1(C)CCC[NH2+]C1)c1ccccc1 ZINC000236832277 202029731 /nfs/dbraw/zinc/02/97/31/202029731.db2.gz HCFHWTFCBDXETO-HKUYNNGSSA-N 2 0 317.477 2.575 20 0 DFADRP CC[NH+](CC)[C@@H](CNC(=O)[C@]1(C)CCCC[NH2+]1)c1ccccc1 ZINC000236837239 202032891 /nfs/dbraw/zinc/03/28/91/202032891.db2.gz LFGSEQVVCJIWGC-HKUYNNGSSA-N 2 0 317.477 2.718 20 0 DFADRP CCC[C@H]([NH3+])C(=O)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000236842223 202033922 /nfs/dbraw/zinc/03/39/22/202033922.db2.gz WTNYLXCLARQXLY-INIZCTEOSA-N 2 0 323.868 2.548 20 0 DFADRP CC[NH+](CC)[C@H](C(=O)NCC[C@@H]1CCC[NH2+]C1)c1ccccc1 ZINC000236865538 202043353 /nfs/dbraw/zinc/04/33/53/202043353.db2.gz AGRLGVQOBWNSQQ-WMZOPIPTSA-N 2 0 317.477 2.575 20 0 DFADRP CC[NH+](CC)[C@H](CNC(=O)CC1CC[NH2+]CC1)c1ccccc1 ZINC000236874698 202046383 /nfs/dbraw/zinc/04/63/83/202046383.db2.gz LCOTZJQWPCKKKE-GOSISDBHSA-N 2 0 317.477 2.575 20 0 DFADRP CC[NH+](CC)CCN(CC(C)C)C(=O)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000236860978 202040118 /nfs/dbraw/zinc/04/01/18/202040118.db2.gz ADQSEXXXCGPXFZ-AYHJJNSGSA-N 2 0 323.525 2.734 20 0 DFADRP CCC(CC)(CNC(=O)[C@@H]1CC[NH2+]C1)[NH2+][C@@H](C)c1ccccc1 ZINC000236859426 202040489 /nfs/dbraw/zinc/04/04/89/202040489.db2.gz RICXLRHMOONGHA-DOTOQJQBSA-N 2 0 317.477 2.622 20 0 DFADRP CC[NH+](CC)[C@H](CNC(=O)[C@]1(C)CCCC[NH2+]1)c1ccccc1 ZINC000236886734 202053236 /nfs/dbraw/zinc/05/32/36/202053236.db2.gz LFGSEQVVCJIWGC-MJGOQNOKSA-N 2 0 317.477 2.718 20 0 DFADRP CCC[N@H+](CC)C[C@H](C)NC(=O)[C@H](C)[NH+](C)Cc1ccccc1 ZINC000359775987 283186170 /nfs/dbraw/zinc/18/61/70/283186170.db2.gz VBOGLYXWGBWENK-IRXDYDNUSA-N 2 0 319.493 2.744 20 0 DFADRP CC[NH+](CC)[C@H](CNC(=O)[C@@H]([NH3+])CC(C)C)c1ccsc1 ZINC000236879399 202050170 /nfs/dbraw/zinc/05/01/70/202050170.db2.gz OONBABNIHFNMSO-LSDHHAIUSA-N 2 0 311.495 2.621 20 0 DFADRP CCC[C@H]([NH3+])C(=O)NCc1ccccc1C[NH+]1CCC(C)CC1 ZINC000236882981 202051086 /nfs/dbraw/zinc/05/10/86/202051086.db2.gz GQGFPDPCCJJBQK-SFHVURJKSA-N 2 0 317.477 2.662 20 0 DFADRP CC[NH+]1CCN(CCCC[NH2+]Cc2ccc([C@H]3C[C@H]3C)o2)CC1 ZINC000236940815 202082850 /nfs/dbraw/zinc/08/28/50/202082850.db2.gz ZALVROPWCZQSRI-AEFFLSMTSA-N 2 0 319.493 2.910 20 0 DFADRP CC[NH+](CC)Cc1ccc(CNC(=O)[C@@H]2CCC[C@H]([NH3+])C2)cc1 ZINC000236918051 202071062 /nfs/dbraw/zinc/07/10/62/202071062.db2.gz ZWFQTGHFFAZJOY-MSOLQXFVSA-N 2 0 317.477 2.662 20 0 DFADRP CC[NH+](CC)Cc1ccc(CNC(=O)[C@]2(C)CCCC[NH2+]2)cc1 ZINC000236918915 202071185 /nfs/dbraw/zinc/07/11/85/202071185.db2.gz ZMUWWANYXWOIQA-IBGZPJMESA-N 2 0 317.477 2.677 20 0 DFADRP CC[C@H](C)[C@H]([NH3+])C(=O)Nc1ccc(OCC[NH+](CC)CC)cc1 ZINC000236921647 202072609 /nfs/dbraw/zinc/07/26/09/202072609.db2.gz FJQIGXUFUHENTL-YOEHRIQHSA-N 2 0 321.465 2.719 20 0 DFADRP CC[C@]1(C(=O)NCC[C@@H](C)[N@H+](C)Cc2ccccc2)CCC[NH2+]1 ZINC000134616961 283194670 /nfs/dbraw/zinc/19/46/70/283194670.db2.gz RXIOOLNHHABFIQ-VQIMIIECSA-N 2 0 317.477 2.545 20 0 DFADRP CC[N@H+](Cc1ccc(C(=O)N[C@](C)(C[NH3+])C2CC2)cc1)C(C)C ZINC000236995650 202115267 /nfs/dbraw/zinc/11/52/67/202115267.db2.gz HFLYVUTXJRGEJN-LJQANCHMSA-N 2 0 317.477 2.774 20 0 DFADRP CCC[NH+]1CCC(NC[C@H](c2cccc(F)c2)[NH+](C)C)CC1 ZINC000121597941 398788311 /nfs/dbraw/zinc/78/83/11/398788311.db2.gz ROIMFJISJVMYIU-GOSISDBHSA-N 2 0 307.457 2.892 20 0 DFADRP Cc1ccc(C[NH+](C)C)cc1NC(=O)[C@H]([NH3+])Cc1ccccc1 ZINC000237051328 202136639 /nfs/dbraw/zinc/13/66/39/202136639.db2.gz YEJMXPZUXCFQSM-QGZVFWFLSA-N 2 0 311.429 2.565 20 0 DFADRP CCC[NH+](CCC)CCCC(=O)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000108816453 283209010 /nfs/dbraw/zinc/20/90/10/283209010.db2.gz YHTGDOFKJOYRHI-GOSISDBHSA-N 2 0 323.525 2.975 20 0 DFADRP C[N@@H+]1C[C@@H]2C[NH+](C[C@@H]3CCSC3)C[C@H]2[C@H]1c1ccccc1 ZINC000365876831 283212830 /nfs/dbraw/zinc/21/28/30/283212830.db2.gz LKNVPDQHRWQLOH-DZOHQFGASA-N 2 0 302.487 2.974 20 0 DFADRP C[NH+](C)[C@H](CC(=O)NCc1ccc2c[nH+]cn2c1)c1ccccc1 ZINC000416256652 295935533 /nfs/dbraw/zinc/93/55/33/295935533.db2.gz ZFYYGVNMEWUNFR-GOSISDBHSA-N 2 0 322.412 2.644 20 0 DFADRP C[NH2+]C[C@@H](C)C(=O)Nc1ccc(C[NH+]2CCC(C)CC2)cc1 ZINC000237258718 202208058 /nfs/dbraw/zinc/20/80/58/202208058.db2.gz SKYLTWMRRSLHBD-OAHLLOKOSA-N 2 0 303.450 2.713 20 0 DFADRP CC[NH2+]Cc1cccc(NC(=O)[C@H]2[NH2+]CCc3ccccc32)c1 ZINC000124096707 398801594 /nfs/dbraw/zinc/80/15/94/398801594.db2.gz MTPVDVPVZNNYNM-SFHVURJKSA-N 2 0 309.413 2.622 20 0 DFADRP CC[NH2+]Cc1cccc(NC(=O)[C@@H]2[NH2+]CCc3ccccc32)c1 ZINC000124096904 398801644 /nfs/dbraw/zinc/80/16/44/398801644.db2.gz MTPVDVPVZNNYNM-GOSISDBHSA-N 2 0 309.413 2.622 20 0 DFADRP CCC[C@H](C(=O)OCC)[N@@H+]1CC[C@H](CNc2cccc(C)[nH+]2)C1 ZINC000151115384 283276551 /nfs/dbraw/zinc/27/65/51/283276551.db2.gz REIONPZZMFZYTG-HZPDHXFCSA-N 2 0 319.449 2.856 20 0 DFADRP COC[C@H](Cc1ccccc1)[NH2+]C[C@@H](C)C[NH+]1CCCCC1 ZINC000125609217 398807867 /nfs/dbraw/zinc/80/78/67/398807867.db2.gz HZSUHYLYVNGATJ-MJGOQNOKSA-N 2 0 304.478 2.956 20 0 DFADRP CC(C)[C@@H](C[NH2+][C@H](C)C1CC[NH+](C)CC1)C(=O)OC(C)(C)C ZINC000594510593 398812685 /nfs/dbraw/zinc/81/26/85/398812685.db2.gz AAGVBCQVDXPJAL-GDBMZVCRSA-N 2 0 312.498 2.920 20 0 DFADRP CC(C)C(=O)N1CCC([NH2+][C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)CC1 ZINC000261698628 535373002 /nfs/dbraw/zinc/37/30/02/535373002.db2.gz JQQWJRDDINMQHZ-OKZBNKHCSA-N 2 0 321.509 2.534 20 0 DFADRP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)Cc2cccc3[nH]ccc32)CC1 ZINC000179517957 199049968 /nfs/dbraw/zinc/04/99/68/199049968.db2.gz RLSSHSGFNIFNPV-OAHLLOKOSA-N 2 0 315.461 2.693 20 0 DFADRP C[C@](O)(C[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1)c1cccc(Cl)c1 ZINC000184960844 199787398 /nfs/dbraw/zinc/78/73/98/199787398.db2.gz QFJHSJXPKDBEMB-BBWFWOEESA-N 2 0 308.853 2.764 20 0 DFADRP C[C@@H]1C[C@@H]([NH3+])CC[N@@H+]1CCCc1nc(-c2cccs2)no1 ZINC000129066921 398833740 /nfs/dbraw/zinc/83/37/40/398833740.db2.gz WZJLVGJYYINRRX-NEPJUHHUSA-N 2 0 306.435 2.542 20 0 DFADRP COC(=O)c1cc(C[NH2+]C2CCC(C[NH+](C)C)CC2)c(C)o1 ZINC000594609153 398831161 /nfs/dbraw/zinc/83/11/61/398831161.db2.gz PPLYDPFTWIWAIC-UHFFFAOYSA-N 2 0 308.422 2.585 20 0 DFADRP O[C@@H]1CCC[C@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000180147726 199123518 /nfs/dbraw/zinc/12/35/18/199123518.db2.gz OCDGRTRNVXDJQR-BMSWRWNDSA-N 2 0 300.446 2.685 20 0 DFADRP COC[C@H]([NH2+][C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21)C1CC1 ZINC000180180672 199127799 /nfs/dbraw/zinc/12/77/99/199127799.db2.gz SAEUNOXVGQXAMS-HAGHYFMRSA-N 2 0 314.473 2.912 20 0 DFADRP COC(=O)c1cc(C[N@@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)oc1C ZINC000594734591 398851390 /nfs/dbraw/zinc/85/13/90/398851390.db2.gz BZOGQEPESOMPLM-OAHLLOKOSA-N 2 0 320.433 2.586 20 0 DFADRP C[C@@H]1C[N@H+](C)CC[C@@H]1NC[C@]1(C)CCC[NH+]1Cc1ccccc1 ZINC000152951643 283346136 /nfs/dbraw/zinc/34/61/36/283346136.db2.gz GHSNASDCFISWEH-HOJAQTOUSA-N 2 0 315.505 2.971 20 0 DFADRP Cc1ccc2c(c1)[C@H]([NH2+]CCCN1CCC[N@H+](C)CC1)[C@@H](C)C2 ZINC000180468026 199162725 /nfs/dbraw/zinc/16/27/25/199162725.db2.gz DXVBDXTYJKCFDY-FXAWDEMLSA-N 2 0 315.505 2.846 20 0 DFADRP COC(=O)[C@@H]1C[C@@H]1[C@@H](C)[NH2+]Cc1cccc(C[NH+]2CCCC2)c1 ZINC000594915400 398870273 /nfs/dbraw/zinc/87/02/73/398870273.db2.gz TUSLICCFIUWICA-ZTFGCOKTSA-N 2 0 316.445 2.570 20 0 DFADRP COC(=O)[C@@H]1C[C@H]1[C@@H](C)[NH2+]Cc1cccc(C[NH+]2CCCC2)c1 ZINC000594915398 398870500 /nfs/dbraw/zinc/87/05/00/398870500.db2.gz TUSLICCFIUWICA-FHLIZLRMSA-N 2 0 316.445 2.570 20 0 DFADRP COC(=O)[C@@H]1C[C@@H]1[C@@H](C)[NH2+]C[C@@H]1CCC[N@@H+]1C1CCCCC1 ZINC000594938441 398876860 /nfs/dbraw/zinc/87/68/60/398876860.db2.gz WDMFDGKIKWASSB-XLNGHYISSA-N 2 0 308.466 2.571 20 0 DFADRP [NH3+]CC1(C(=O)N2CCC[C@@H](C[NH+]3CCCCCC3)C2)CCCC1 ZINC000167386245 283382848 /nfs/dbraw/zinc/38/28/48/283382848.db2.gz DZNIAZJVHIPXGG-KRWDZBQOSA-N 2 0 321.509 2.620 20 0 DFADRP CCOC(=O)c1[nH]c(C)c(C[NH2+]C[C@H](C)C[NH+]2CCCC2)c1C ZINC000598954336 398896694 /nfs/dbraw/zinc/89/66/94/398896694.db2.gz BSWGYVRIAQFZGQ-ZDUSSCGKSA-N 2 0 321.465 2.630 20 0 DFADRP C[NH+](C)CCN1CCC([NH2+][C@H]2CCCNc3ccccc32)CC1 ZINC000186405437 199953797 /nfs/dbraw/zinc/95/37/97/199953797.db2.gz BDANXNIRWTXYRR-IBGZPJMESA-N 2 0 316.493 2.549 20 0 DFADRP C[C@@H]([NH2+]CCN1CC=CCC1)c1ccc(OCC[NH+](C)C)cc1 ZINC000280983264 216002584 /nfs/dbraw/zinc/00/25/84/216002584.db2.gz MFCBJRRUMXQUOF-QGZVFWFLSA-N 2 0 317.477 2.540 20 0 DFADRP CC[C@@H]([NH2+]CC1CC[NH+](CC2CC2)CC1)C1(C(=O)OC)CCC1 ZINC000595103599 398906066 /nfs/dbraw/zinc/90/60/66/398906066.db2.gz MLDMMFLEJNMVMZ-QGZVFWFLSA-N 2 0 322.493 2.820 20 0 DFADRP CCN1CC[NH+](CCCC[NH2+][C@@H](C)Cc2ccccc2F)CC1 ZINC000187766464 200153961 /nfs/dbraw/zinc/15/39/61/200153961.db2.gz QLPXVEYJBYTSER-KRWDZBQOSA-N 2 0 321.484 2.764 20 0 DFADRP C[C@@H](C[NH2+][C@H]1CC[C@@](C)(c2ccccc2)C1)N1CC[NH+](C)CC1 ZINC000187966982 200183773 /nfs/dbraw/zinc/18/37/73/200183773.db2.gz OFOSMDITRBSNIR-YSIASYRMSA-N 2 0 315.505 2.722 20 0 DFADRP C[C@@H]1CCC[N@H+](CCCCNC(=O)C[C@@H]([NH3+])c2ccccc2)C1 ZINC000237535983 202274904 /nfs/dbraw/zinc/27/49/04/202274904.db2.gz QBZKOFXVRADQBS-SJLPKXTDSA-N 2 0 317.477 2.705 20 0 DFADRP CC[NH+]1CCC(NC(=O)C[N@@H+]2CCCCC[C@@H]2CC(C)C)CC1 ZINC000077657422 398916667 /nfs/dbraw/zinc/91/66/67/398916667.db2.gz OBDRRGUEISKDBL-GOSISDBHSA-N 2 0 323.525 2.878 20 0 DFADRP C[C@@H](C(=O)NCC[NH2+]C1CCCCCC1)[C@@H]([NH3+])c1ccccc1 ZINC000237608719 202302166 /nfs/dbraw/zinc/30/21/66/202302166.db2.gz YWOSDECRYGDDSU-CRAIPNDOSA-N 2 0 317.477 2.751 20 0 DFADRP C[C@H](C[NH2+]Cc1ccnc(N2CC[NH+](C)CC2)c1)c1ccccc1 ZINC000237587264 202293016 /nfs/dbraw/zinc/29/30/16/202293016.db2.gz DKPHTVFUEMMHEV-QGZVFWFLSA-N 2 0 324.472 2.727 20 0 DFADRP CC(C)(C)[NH+]1CCC(NC(=O)NCC2([NH3+])CCCCCC2)CC1 ZINC000417186619 296000932 /nfs/dbraw/zinc/00/09/32/296000932.db2.gz VKVYNIPFOXQGRA-UHFFFAOYSA-N 2 0 324.513 2.600 20 0 DFADRP CC(C)[NH+]1CCN([C@@H]2CC[N@H+](C[C@@H]3CC[C@@H]4C[C@@H]4C3)C2)CC1 ZINC000595336968 398923189 /nfs/dbraw/zinc/92/31/89/398923189.db2.gz IPLPSTNJSMPKRE-AKHDSKFASA-N 2 0 305.510 2.523 20 0 DFADRP [NH3+][C@H](CC(=O)N1CCC[C@@H]([NH+]2CCCC2)CC1)c1ccccc1 ZINC000237837495 202367671 /nfs/dbraw/zinc/36/76/71/202367671.db2.gz MNERGXUIQCEPTI-QZTJIDSGSA-N 2 0 315.461 2.553 20 0 DFADRP CCC[NH+]1CCN(c2ccccc2C[NH2+]CCSC)CC1 ZINC000151329078 398925321 /nfs/dbraw/zinc/92/53/21/398925321.db2.gz XRHZVQRUOILYNA-UHFFFAOYSA-N 2 0 307.507 2.671 20 0 DFADRP C[C@@H]1CCCC[N@@H+]1Cc1ccc(NC(=O)[C@H]2C[C@H](F)C[NH2+]2)cc1 ZINC000188712663 200291985 /nfs/dbraw/zinc/29/19/85/200291985.db2.gz VBPPKCWAMMEQIR-UKPHBRMFSA-N 2 0 319.424 2.700 20 0 DFADRP CCc1ccccc1C[N@H+](C)CC1CC[NH+](C[C@@H](C)O)CC1 ZINC000188958311 200327111 /nfs/dbraw/zinc/32/71/11/200327111.db2.gz XXDRPWLFTFDXCY-MRXNPFEDSA-N 2 0 304.478 2.774 20 0 DFADRP C[N@H+](Cc1ccccc1)C1CCC([NH2+][C@H]2C[C@@](C)(O)C2)CC1 ZINC000417394321 296016216 /nfs/dbraw/zinc/01/62/16/296016216.db2.gz DFUWUAZBJYZDRH-GLJAMUPPSA-N 2 0 302.462 2.933 20 0 DFADRP Cc1ccc2c(c1)[C@H]([NH2+]C[C@H](C)CN1CC[NH+](C)CC1)[C@H](C)C2 ZINC000246052630 283568749 /nfs/dbraw/zinc/56/87/49/283568749.db2.gz YIWASZGSWURMHA-SQGPQFPESA-N 2 0 315.505 2.701 20 0 DFADRP CC(=O)NC1CCC([NH2+]C2CC[NH+](C3CCCCC3)CC2)CC1 ZINC000155192695 398945331 /nfs/dbraw/zinc/94/53/31/398945331.db2.gz UQHQZGYMDUKXHA-UHFFFAOYSA-N 2 0 321.509 2.820 20 0 DFADRP COC(=O)CCCC[N@@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000599283771 398948262 /nfs/dbraw/zinc/94/82/62/398948262.db2.gz CYSHQDUQHYZBEX-KRWDZBQOSA-N 2 0 310.482 2.918 20 0 DFADRP C[C@H]1COCC[C@@H]1[NH2+]CC1CC[NH+](Cc2ccccc2)CC1 ZINC000192503068 200890470 /nfs/dbraw/zinc/89/04/70/200890470.db2.gz UGXLTPMXILMEIO-LPHOPBHVSA-N 2 0 302.462 2.913 20 0 DFADRP CC[NH+](CC)Cc1ccc(C(=O)NC[C@H]2CCC[N@@H+]2CC)cc1 ZINC000078670199 398978945 /nfs/dbraw/zinc/97/89/45/398978945.db2.gz ORTXJSSXCFUMMU-GOSISDBHSA-N 2 0 317.477 2.743 20 0 DFADRP C=Cn1cc(C[NH+]2CCC(CCC[N@@H+](C)CCOC)CC2)cn1 ZINC000194028450 201165563 /nfs/dbraw/zinc/16/55/63/201165563.db2.gz PUPPLWSSIIWQCK-UHFFFAOYSA-N 2 0 320.481 2.554 20 0 DFADRP CCC(CC)(CNC(=O)NCCC[NH3+])[NH2+][C@@H](C)c1ccccc1 ZINC000417706511 296042447 /nfs/dbraw/zinc/04/24/47/296042447.db2.gz PCPMVZHZNSHFCX-HNNXBMFYSA-N 2 0 320.481 2.544 20 0 DFADRP C[NH+](C)Cc1cc(C[NH2+][C@@H]2[C@H]3CCO[C@H]3C23CCC3)ccc1F ZINC000194042983 201169170 /nfs/dbraw/zinc/16/91/70/201169170.db2.gz DECFCUROCLCDSE-KBAYOESNSA-N 2 0 318.436 2.935 20 0 DFADRP C[C@H](CC[NH2+]C1CCN(CC[NH+](C)C)CC1)c1ccccc1 ZINC000194200441 201197846 /nfs/dbraw/zinc/19/78/46/201197846.db2.gz WCWYWPYXSLOEEO-QGZVFWFLSA-N 2 0 303.494 2.796 20 0 DFADRP COc1ccc(C[C@H](C)C[N@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)cc1F ZINC000194541680 201245739 /nfs/dbraw/zinc/24/57/39/201245739.db2.gz ALBAYXDLQJOOTJ-CWRNSKLLSA-N 2 0 306.425 2.506 20 0 DFADRP COc1ccc([C@H](C)C[NH2+]CC2(O)CC[NH+](C(C)C)CC2)cc1 ZINC000271851468 209267499 /nfs/dbraw/zinc/26/74/99/209267499.db2.gz TXOIKEBGMYTJNN-MRXNPFEDSA-N 2 0 320.477 2.624 20 0 DFADRP [NH3+]CCC[C@H](NC(=O)CC1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccccc1 ZINC000417823554 296054762 /nfs/dbraw/zinc/05/47/62/296054762.db2.gz ADRLNZQWDZTKOR-ONQFOCNCSA-N 2 0 315.461 2.504 20 0 DFADRP C[NH2+][C@H](CC(C)(C)C)C(=O)Nc1nc(C2CC[NH2+]CC2)cs1 ZINC000417850854 296058086 /nfs/dbraw/zinc/05/80/86/296058086.db2.gz XWDDOHMVPHNHGD-GFCCVEGCSA-N 2 0 324.494 2.573 20 0 DFADRP O=C(CC[C@H]1CCC[NH2+]C1)NC1CC[NH+](CC2CCCC2)CC1 ZINC000621642761 399007544 /nfs/dbraw/zinc/00/75/44/399007544.db2.gz VIKDIDZAHUBHSZ-MRXNPFEDSA-N 2 0 321.509 2.537 20 0 DFADRP CC[N@H+](C)Cc1cccc(CNC(=O)CC[C@@H]2CCC[NH2+]C2)c1 ZINC000621642828 399007655 /nfs/dbraw/zinc/00/76/55/399007655.db2.gz WVNNNXAVASCMCU-INIZCTEOSA-N 2 0 317.477 2.534 20 0 DFADRP COc1cc(C)c([C@@H](C)[NH2+]CC2=CC[N@H+](C)CC2)cc1OC ZINC000271829861 209249464 /nfs/dbraw/zinc/24/94/64/209249464.db2.gz DTRKFBLKQFZELN-CQSZACIVSA-N 2 0 304.434 2.925 20 0 DFADRP C[C@@H]([NH2+]CC1=CC[N@H+](C)CC1)c1cnn(Cc2ccccc2)c1 ZINC000271811118 209235355 /nfs/dbraw/zinc/23/53/55/209235355.db2.gz AURPKFKTPVHZAA-MRXNPFEDSA-N 2 0 310.445 2.844 20 0 DFADRP COc1ccc([C@H]([NH2+][C@H](C)CN2CC[NH+](C)CC2)C(C)C)cc1 ZINC000091334710 193041485 /nfs/dbraw/zinc/04/14/85/193041485.db2.gz CDJBZKAFDAHSAU-VQIMIIECSA-N 2 0 319.493 2.618 20 0 DFADRP CC[C@@H](C)[NH2+][C@@H](CNC(=O)NCC([NH3+])(CC)CC)c1ccco1 ZINC000418158866 296080856 /nfs/dbraw/zinc/08/08/56/296080856.db2.gz BSNXJIPDKIKNNW-KGLIPLIRSA-N 2 0 324.469 2.526 20 0 DFADRP CC(C)(CCC[NH3+])NC(=O)NC[C@H]1CCC[N@@H+]1C1CCCCC1 ZINC000418129911 296080171 /nfs/dbraw/zinc/08/01/71/296080171.db2.gz FDMBOVLBUGRQLA-MRXNPFEDSA-N 2 0 324.513 2.600 20 0 DFADRP COCCOc1cccc(C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)c1 ZINC000092043168 193146393 /nfs/dbraw/zinc/14/63/93/193146393.db2.gz ATOXQKVUDXBLKQ-HKUYNNGSSA-N 2 0 318.461 2.628 20 0 DFADRP CO[C@H](C)[C@@H](C)[NH2+]CCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000271781729 209209645 /nfs/dbraw/zinc/20/96/45/209209645.db2.gz LUFCJMSHTOOARB-IAGOWNOFSA-N 2 0 320.477 2.717 20 0 DFADRP CCC[N@@H+]1CC[C@H](C[NH2+][C@@H]2CCN(C(C)=O)c3ccccc32)C1 ZINC000621750263 399066025 /nfs/dbraw/zinc/06/60/25/399066025.db2.gz MBTMEVRKWSOGOU-SJLPKXTDSA-N 2 0 315.461 2.806 20 0 DFADRP CC[N@H+](C)[C@@H](C(=O)NCC1([NH+](C)C)CCCC1)c1ccccc1 ZINC000057833255 399066552 /nfs/dbraw/zinc/06/65/52/399066552.db2.gz CVHHKCRMBNPBHN-QGZVFWFLSA-N 2 0 317.477 2.670 20 0 DFADRP C[NH+]1CCC(O)(C[NH2+][C@@H](c2ccc(Cl)cc2)C2CC2)CC1 ZINC000271774139 209202761 /nfs/dbraw/zinc/20/27/61/209202761.db2.gz UTFTZWPJKUTBPL-MRXNPFEDSA-N 2 0 308.853 2.837 20 0 DFADRP CC(=O)N1CC[C@@H]([NH2+]CCCC[N@@H+](C)C2CC2)c2ccccc21 ZINC000621762708 399070233 /nfs/dbraw/zinc/07/02/33/399070233.db2.gz JGRYDYXGAWFWIE-GOSISDBHSA-N 2 0 315.461 2.948 20 0 DFADRP CCC[C@@H]([NH2+]C(C)C)C(=O)NCc1cccc(C[NH+](C)C)c1 ZINC000479445266 299377177 /nfs/dbraw/zinc/37/71/77/299377177.db2.gz KZBGKOCPPHPSEB-QGZVFWFLSA-N 2 0 305.466 2.531 20 0 DFADRP CC1=CCC[C@H](C)[C@@H]1C[NH2+]C1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000479438464 299377250 /nfs/dbraw/zinc/37/72/50/299377250.db2.gz NXKJDFAKJJIZNU-WZGPROSRSA-N 2 0 306.494 2.946 20 0 DFADRP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)NC1CC[NH+](CC2CCCC2)CC1 ZINC000479588920 299380753 /nfs/dbraw/zinc/38/07/53/299380753.db2.gz JYHRBUHXXUOYIM-IYBDPMFKSA-N 2 0 321.509 2.630 20 0 DFADRP O[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000304231481 284032497 /nfs/dbraw/zinc/03/24/97/284032497.db2.gz NUNRHPBMXYFAPV-RTBURBONSA-N 2 0 318.461 2.554 20 0 DFADRP CC[NH+](CC)CCOc1ccccc1NC(=O)C[NH+](CC)CC ZINC000058808847 399096161 /nfs/dbraw/zinc/09/61/61/399096161.db2.gz BSPXFWNNQMDBKK-UHFFFAOYSA-N 2 0 321.465 2.688 20 0 DFADRP C[C@H](O)C[NH+]1CCC(C[N@H+](C)C[C@H]2CCCC(F)(F)C2)CC1 ZINC000338272663 284097174 /nfs/dbraw/zinc/09/71/74/284097174.db2.gz CQCIXLANFYUDBO-HOCLYGCPSA-N 2 0 318.452 2.837 20 0 DFADRP CC(C)[N@H+](C)Cc1ccccc1CNC(=O)[C@@H]1CCC[C@@H]1C[NH3+] ZINC000261645797 203087817 /nfs/dbraw/zinc/08/78/17/203087817.db2.gz DCEUJDZYRDWUEZ-CRAIPNDOSA-N 2 0 317.477 2.518 20 0 DFADRP CC[NH+](CC)[C@H](CNC(=O)C[C@@H]1CCC[C@H]1[NH3+])c1ccsc1 ZINC000261656876 203088744 /nfs/dbraw/zinc/08/87/44/203088744.db2.gz DWCQKOVCSFDXAR-NUEKZKHPSA-N 2 0 323.506 2.765 20 0 DFADRP CC[C@@H](C(=O)Nc1ccc2c(c1F)CC[NH2+]C2)[NH+](CC)CC ZINC000261678863 203091838 /nfs/dbraw/zinc/09/18/38/203091838.db2.gz HDKMGTGICBKDRS-HNNXBMFYSA-N 2 0 307.413 2.530 20 0 DFADRP CC[NH+](CC)Cc1cccc(NC(=O)C[C@@H]2CCC[C@H]2[NH3+])c1 ZINC000261768910 203112993 /nfs/dbraw/zinc/11/29/93/203112993.db2.gz ODKLKVVEMSFVSE-DOTOQJQBSA-N 2 0 303.450 2.984 20 0 DFADRP [NH3+]C[C@H]1CCC[C@H]1C(=O)Nc1cccc(C[NH+]2CCCCC2)c1 ZINC000261775207 203115062 /nfs/dbraw/zinc/11/50/62/203115062.db2.gz OSHXDWIMYAJAKI-SJLPKXTDSA-N 2 0 315.461 2.986 20 0 DFADRP C[C@@H]([NH2+]C(C)(C)CNC(=O)CC[C@@H]1CC[NH2+]C1)c1ccccc1 ZINC000261880083 203142357 /nfs/dbraw/zinc/14/23/57/203142357.db2.gz RTCPRLWFTZRQEM-HZPDHXFCSA-N 2 0 317.477 2.622 20 0 DFADRP CCN(CC)c1ncc(C[N@H+](C)CC2CC[NH+](C)CC2)s1 ZINC000093088587 193202553 /nfs/dbraw/zinc/20/25/53/193202553.db2.gz WPNQEMZMENLBRZ-UHFFFAOYSA-N 2 0 310.511 2.763 20 0 DFADRP CC(C)C[C@H]([NH3+])C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000262101428 203200496 /nfs/dbraw/zinc/20/04/96/203200496.db2.gz DDLUMGJIEHVIOV-NXHRZFHOSA-N 2 0 317.477 2.529 20 0 DFADRP CCC[C@](C)([NH3+])C(=O)NCc1cccc(C[NH+](CC)CC)c1 ZINC000262125857 203206113 /nfs/dbraw/zinc/20/61/13/203206113.db2.gz LJYFUZFZOJYLLJ-SFHVURJKSA-N 2 0 305.466 2.662 20 0 DFADRP CC[NH+](CC)Cc1ccc(CNC(=O)[C@H]2CC[NH2+][C@@H](C)C2)cc1 ZINC000262410958 203286843 /nfs/dbraw/zinc/28/68/43/203286843.db2.gz PGGOYQZYLHOZPO-YJBOKZPZSA-N 2 0 317.477 2.533 20 0 DFADRP CC[NH+](CC)[C@@H](CNC(=O)C(C)(C)c1c[nH]cn1)CC(C)C ZINC000621905581 399116251 /nfs/dbraw/zinc/11/62/51/399116251.db2.gz GCMZGKQGRILYNU-CQSZACIVSA-N 2 0 308.470 2.560 20 0 DFADRP CC[NH+](CC)CCC[C@H](C)NC(=O)[C@H]([NH3+])c1ccc(C)cc1 ZINC000262524117 203319637 /nfs/dbraw/zinc/31/96/37/203319637.db2.gz OQSGRZLZDZVSAF-DOTOQJQBSA-N 2 0 305.466 2.622 20 0 DFADRP CC(C)c1ccc([C@@H]([NH3+])CNC(=O)CCCCCC[NH3+])cc1 ZINC000262553235 203327891 /nfs/dbraw/zinc/32/78/91/203327891.db2.gz UCUAOSUVVHFBNF-KRWDZBQOSA-N 2 0 305.466 2.835 20 0 DFADRP C[C@H]([NH2+]Cc1ccc(OCCC[NH+](C)C)cc1)[C@@H]1CCCO1 ZINC000340195651 284158213 /nfs/dbraw/zinc/15/82/13/284158213.db2.gz VGDQNLYQFGCJPQ-YJBOKZPZSA-N 2 0 306.450 2.674 20 0 DFADRP CCC[C@@H]([NH3+])C(=O)N(CC[NH+](CC)CC)Cc1cccs1 ZINC000262623419 203353867 /nfs/dbraw/zinc/35/38/67/203353867.db2.gz ACSOXMDMPPCYFV-OAHLLOKOSA-N 2 0 311.495 2.546 20 0 DFADRP C[C@H](CNC(=O)[C@@H](C)[C@H]([NH3+])c1ccccc1)[N@@H+]1CCC[C@@H](C)C1 ZINC000262672915 203375597 /nfs/dbraw/zinc/37/55/97/203375597.db2.gz PHZASWRAAFILFU-CBZIJGRNSA-N 2 0 317.477 2.559 20 0 DFADRP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccc(OCCOC)cc2)[C@H](C)C1 ZINC000093639604 193279490 /nfs/dbraw/zinc/27/94/90/193279490.db2.gz SBLSNKRZWMVNRD-APWZRJJASA-N 2 0 320.477 2.874 20 0 DFADRP C[C@@H]1C[N@@H+](CCC2CC[NH+](Cc3cccn3C)CC2)C[C@H](C)O1 ZINC000093844460 193317548 /nfs/dbraw/zinc/31/75/48/193317548.db2.gz UXBLKRRZCKNXCH-CALCHBBNSA-N 2 0 319.493 2.736 20 0 DFADRP [NH3+]CCCOC1CC[NH+](CCOc2cccc(Cl)c2)CC1 ZINC000094071966 193343367 /nfs/dbraw/zinc/34/33/67/193343367.db2.gz GXDSJDQEBNMHOC-UHFFFAOYSA-N 2 0 312.841 2.549 20 0 DFADRP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@H](C)c2ccc(Cl)cn2)CC1 ZINC000274914491 212030412 /nfs/dbraw/zinc/03/04/12/212030412.db2.gz NYTRVFCUDYDCRU-HUUCEWRRSA-N 2 0 324.900 2.659 20 0 DFADRP C[N@@H+]1CCN(CC[NH2+][C@@H]2CC[C@@H](c3ccccc3)C2)CC1(C)C ZINC000282443875 217000046 /nfs/dbraw/zinc/00/00/46/217000046.db2.gz SBNKORSFLRBVTM-RTBURBONSA-N 2 0 315.505 2.938 20 0 DFADRP Cc1cc(N2CC[C@@H](C[NH3+])C2)c2cc(OC(F)F)ccc2[nH+]1 ZINC000420166926 296160053 /nfs/dbraw/zinc/16/00/53/296160053.db2.gz IQUHKBOLOCFSJN-NSHDSACASA-N 2 0 307.344 2.930 20 0 DFADRP Cc1cc(NCC[C@@H]2CC[NH2+]C2)c2cc(OC(F)F)ccc2[nH+]1 ZINC000420184202 296161107 /nfs/dbraw/zinc/16/11/07/296161107.db2.gz ICNKZVOAFVSJFV-LBPRGKRZSA-N 2 0 321.371 2.978 20 0 DFADRP COc1cccc(C[C@@H](C)[NH2+]C2CC(C)(C)[NH2+]C(C)(C)C2)n1 ZINC000341194244 284247324 /nfs/dbraw/zinc/24/73/24/284247324.db2.gz SBJUDQJYZJYJNL-CYBMUJFWSA-N 2 0 305.466 2.920 20 0 DFADRP CCOc1cc2[nH+]ccc(N3CC[C@H]([NH3+])[C@H]3C)c2cc1OCC ZINC000420246801 296165311 /nfs/dbraw/zinc/16/53/11/296165311.db2.gz GHUUUZZDYQUENN-OCCSQVGLSA-N 2 0 315.417 2.958 20 0 DFADRP CCOc1cc2[nH+]ccc(N3CC[C@@H]([NH3+])[C@H]3C)c2cc1OCC ZINC000420246803 296165518 /nfs/dbraw/zinc/16/55/18/296165518.db2.gz GHUUUZZDYQUENN-TZMCWYRMSA-N 2 0 315.417 2.958 20 0 DFADRP COc1cc2c(cc1F)[nH+]ccc2N1CC[C@@H](C)C[C@@H]1C[NH3+] ZINC000420260616 296166725 /nfs/dbraw/zinc/16/67/25/296166725.db2.gz NVAXQDMGKIAJHP-VXGBXAGGSA-N 2 0 303.381 2.946 20 0 DFADRP Cc1cc(N2CC[C@@H]3C[NH2+]C[C@@H]32)c2cc(OC(F)F)ccc2[nH+]1 ZINC000420272772 296168076 /nfs/dbraw/zinc/16/80/76/296168076.db2.gz ITCKFDGELCMLHX-BZNIZROVSA-N 2 0 319.355 2.943 20 0 DFADRP OC[C@H]1C=C[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC000341247245 284259402 /nfs/dbraw/zinc/25/94/02/284259402.db2.gz OXLFWRLEGYHBGL-XIBWBMNSSA-N 2 0 312.457 2.709 20 0 DFADRP Cc1cc(-c2noc(C[NH+]3CCC([C@H](C)[NH3+])CC3)n2)ccc1F ZINC000420281871 296168931 /nfs/dbraw/zinc/16/89/31/296168931.db2.gz ARYVJRRXFOSBEW-LBPRGKRZSA-N 2 0 318.396 2.743 20 0 DFADRP Cc1cc(N2C[C@@H](C)[C@H]([NH3+])C2)c2cc(OC(F)F)ccc2[nH+]1 ZINC000420278054 296168391 /nfs/dbraw/zinc/16/83/91/296168391.db2.gz NSESHMDCVVZBGP-NOZJJQNGSA-N 2 0 307.344 2.928 20 0 DFADRP C[N@@H+]1CCCC[C@@H]1CN1CCN(c2cc[nH+]c3ccccc32)CC1 ZINC000264824715 204184797 /nfs/dbraw/zinc/18/47/97/204184797.db2.gz YGLCLCMZYZNTLY-QGZVFWFLSA-N 2 0 324.472 2.841 20 0 DFADRP CC[N@H+](Cc1ccc(C(=O)NCCCC[NH+](C)C)cc1)C(C)C ZINC000264885409 204238640 /nfs/dbraw/zinc/23/86/40/204238640.db2.gz ITYBMZCJSOIXGF-UHFFFAOYSA-N 2 0 319.493 2.989 20 0 DFADRP Cc1cc(-c2noc(CN3CCC[C@@H]([C@@H](C)[NH3+])C3)n2)ccc1F ZINC000420290023 296169782 /nfs/dbraw/zinc/16/97/82/296169782.db2.gz LDKPZDXWXQRHLW-TZMCWYRMSA-N 2 0 318.396 2.743 20 0 DFADRP Cc1cc(-c2noc(CN3CCC[C@H]([C@@H](C)[NH3+])C3)n2)ccc1F ZINC000420290019 296169920 /nfs/dbraw/zinc/16/99/20/296169920.db2.gz LDKPZDXWXQRHLW-OCCSQVGLSA-N 2 0 318.396 2.743 20 0 DFADRP CC[C@@H](c1ccccc1)[C@@H]1CCC[N@@H+]1CCN1CC[NH2+]CC1 ZINC000420297149 296170785 /nfs/dbraw/zinc/17/07/85/296170785.db2.gz FOSMVSBBYXMNCG-OALUTQOASA-N 2 0 301.478 2.550 20 0 DFADRP CC[NH+](CC)Cc1ccc(C(=O)N2CC[C@@H](C[NH+](C)C)C2)cc1 ZINC000265055479 204369299 /nfs/dbraw/zinc/36/92/99/204369299.db2.gz XNNOSRCXYJPUML-KRWDZBQOSA-N 2 0 317.477 2.552 20 0 DFADRP COc1ccc([C@@H](C[NH3+])C[N@H+](C[C@H](C)O)C2CCCCC2)cc1 ZINC000420300736 296171592 /nfs/dbraw/zinc/17/15/92/296171592.db2.gz KKXVACQTOCZCCO-RDJZCZTQSA-N 2 0 320.477 2.753 20 0 DFADRP COc1ccc([C@H](C[NH3+])C[N@H+](C[C@@H](C)O)C2CCCCC2)cc1 ZINC000420300734 296171834 /nfs/dbraw/zinc/17/18/34/296171834.db2.gz KKXVACQTOCZCCO-NVXWUHKLSA-N 2 0 320.477 2.753 20 0 DFADRP C[N@H+](CCCc1cc(-c2ccccc2)n[nH]1)CC[C@H]1CC[NH2+]C1 ZINC000420304124 296172039 /nfs/dbraw/zinc/17/20/39/296172039.db2.gz KXRZBWBVQCBAEU-MRXNPFEDSA-N 2 0 312.461 2.941 20 0 DFADRP C[NH2+]CCC1CC[NH+]([C@H](C)C(=O)Nc2cc(C)cc(C)c2)CC1 ZINC000420307852 296172850 /nfs/dbraw/zinc/17/28/50/296172850.db2.gz MZOIHKAMBFKPAU-MRXNPFEDSA-N 2 0 317.477 2.952 20 0 DFADRP C[N@H+](CC[C@@H]1CCC[NH2+]C1)[C@@H]1CCCN(c2ccccc2)C1=O ZINC000420306657 296172429 /nfs/dbraw/zinc/17/24/29/296172429.db2.gz QUJCVHRCIQIOBC-FUHWJXTLSA-N 2 0 315.461 2.504 20 0 DFADRP CC[NH+](CC)Cc1cccc(NC(=O)[C@@H]2C[N@H+](C)C[C@H]2C)c1 ZINC000341696532 284276528 /nfs/dbraw/zinc/27/65/28/284276528.db2.gz RSDOOSKGOBXPNK-RHSMWYFYSA-N 2 0 303.450 2.665 20 0 DFADRP COC(=O)CCC[N@H+](Cc1ccsc1)[C@H]1CC12CC[NH2+]CC2 ZINC000420306948 296172563 /nfs/dbraw/zinc/17/25/63/296172563.db2.gz IAMBPGGZAJRMPD-HNNXBMFYSA-N 2 0 322.474 2.645 20 0 DFADRP CC[NH+](CC)Cc1cccc(NC(=O)[C@H]2C[N@H+](C)C[C@H]2C)c1 ZINC000341696531 284276596 /nfs/dbraw/zinc/27/65/96/284276596.db2.gz RSDOOSKGOBXPNK-PBHICJAKSA-N 2 0 303.450 2.665 20 0 DFADRP c1cc2c(c([C@@H]3CCC[N@H+]3CC[C@@H]3CC[NH2+]C3)c1)OCCO2 ZINC000420305932 296172661 /nfs/dbraw/zinc/17/26/61/296172661.db2.gz QDSFFDLCLOSFSW-HOCLYGCPSA-N 2 0 302.418 2.594 20 0 DFADRP Cn1ccnc1C[N@H+](CCCCCF)[C@H]1CC12CC[NH2+]CC2 ZINC000420305607 296172721 /nfs/dbraw/zinc/17/27/21/296172721.db2.gz GSLGQVXIUZSFCK-HNNXBMFYSA-N 2 0 308.445 2.504 20 0 DFADRP C[C@@H]1C[C@H]2CCCC[C@H]2[N@@H+]1C[C@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC000420312345 296173451 /nfs/dbraw/zinc/17/34/51/296173451.db2.gz WTXZGOBBXWMMEE-FTWQHDNSSA-N 2 0 302.462 2.570 20 0 DFADRP C[C@@H]1C[C@@H]([N@H+](C)CC[C@@H]2CC[NH2+]C2)CCN1Cc1ccccc1 ZINC000420318845 296174476 /nfs/dbraw/zinc/17/44/76/296174476.db2.gz ORXXQSHYOMNUPG-HBFSDRIKSA-N 2 0 315.505 2.971 20 0 DFADRP COc1ccc(C[N@H+](C)CC[C@@H]2CC[NH2+]C2)cc1OC(F)F ZINC000420318259 296174538 /nfs/dbraw/zinc/17/45/38/296174538.db2.gz OFVPCTUJOBNVBU-LBPRGKRZSA-N 2 0 314.376 2.728 20 0 DFADRP O=C(c1ccccc1)C1CC[NH+](CC[C@H]2CCC[NH2+]C2)CC1 ZINC000420317780 296174096 /nfs/dbraw/zinc/17/40/96/296174096.db2.gz NYMFAPCDAMRWRX-MRXNPFEDSA-N 2 0 300.446 2.971 20 0 DFADRP COc1ccc([C@H]2CCCCC[N@@H+]2CCN2CC[NH2+]CC2)cc1 ZINC000420315921 296174130 /nfs/dbraw/zinc/17/41/30/296174130.db2.gz LWSJOIJATHZXJG-LJQANCHMSA-N 2 0 317.477 2.518 20 0 DFADRP COc1ccc(OC)c(C[N@H+](CC[C@H]2CC[NH2+]C2)C2CC2)c1 ZINC000420324562 296175160 /nfs/dbraw/zinc/17/51/60/296175160.db2.gz VQIFGPPXMJJMHB-CQSZACIVSA-N 2 0 304.434 2.668 20 0 DFADRP CC[C@H](c1ccc(F)cc1)[N@@H+]1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000420323653 296175226 /nfs/dbraw/zinc/17/52/26/296175226.db2.gz GPLJAPFUVCABAR-DOTOQJQBSA-N 2 0 306.425 2.964 20 0 DFADRP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](CC[C@H]2CCC[NH2+]C2)C1 ZINC000420325476 296175502 /nfs/dbraw/zinc/17/55/02/296175502.db2.gz WQAGGSSLNFOEDK-QRVBRYPASA-N 3 0 307.526 2.963 20 0 DFADRP c1ccc([C@@H]2C[N@@H+](CCN3CC[NH2+]CC3)Cc3ccccc32)cc1 ZINC000420325900 296175768 /nfs/dbraw/zinc/17/57/68/296175768.db2.gz WXGNFWYAEPPUBR-NRFANRHFSA-N 2 0 321.468 2.539 20 0 DFADRP c1cnc2sc(C[N@@H+]3CCC[C@@H]([C@H]4CC[NH2+]C4)C3)nc2c1 ZINC000420337759 296177031 /nfs/dbraw/zinc/17/70/31/296177031.db2.gz XAGJPXULADCIMI-QWHCGFSZSA-N 2 0 302.447 2.513 20 0 DFADRP Cc1nc(C(F)(F)F)c(C[N@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)s1 ZINC000420343178 296177890 /nfs/dbraw/zinc/17/78/90/296177890.db2.gz RIGTYDFZPXUMQD-PHIMTYICSA-N 2 0 319.396 2.902 20 0 DFADRP Cc1cccc(C)c1NC(=O)C[N@@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000420345391 296178068 /nfs/dbraw/zinc/17/80/68/296178068.db2.gz WCFIHRKKEYPJPS-IRXDYDNUSA-N 2 0 315.461 2.563 20 0 DFADRP COc1ccc(OCCC[NH+]2CCC([C@@H]3CCC[NH2+]3)CC2)cc1 ZINC000420341903 296177701 /nfs/dbraw/zinc/17/77/01/296177701.db2.gz OTUCPYIEQBXFPR-IBGZPJMESA-N 2 0 318.461 2.928 20 0 DFADRP COCCOCCC[NH2+][C@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000274878168 212003190 /nfs/dbraw/zinc/00/31/90/212003190.db2.gz HACBGEBBYPNHDE-MJGOQNOKSA-N 2 0 320.477 2.540 20 0 DFADRP CCOC(=O)C1CCC([NH2+]C[C@H]2CCC[N@H+](CC3CC3)C2)CC1 ZINC000596094053 399171042 /nfs/dbraw/zinc/17/10/42/399171042.db2.gz IATSDBYPBVUEBX-WWDZGPRUSA-N 2 0 322.493 2.820 20 0 DFADRP CC(C)[C@H]([NH2+]C[C@H](O)[C@@H]([NH3+])Cc1ccccc1)c1ccccc1 ZINC000420363048 296180312 /nfs/dbraw/zinc/18/03/12/296180312.db2.gz BBDVOVZVXKOWKP-UFYCRDLUSA-N 2 0 312.457 2.904 20 0 DFADRP COc1ccc([C@@H](C[NH3+])C[N@@H+]2CCC[C@@H]2c2cccnc2)cc1 ZINC000420364979 296180762 /nfs/dbraw/zinc/18/07/62/296180762.db2.gz RQMZKTJBNWKWKA-PKOBYXMFSA-N 2 0 311.429 2.970 20 0 DFADRP CC[C@H]1Cc2ccccc2C[N@@H+]1C[C@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC000420365419 296180855 /nfs/dbraw/zinc/18/08/55/296180855.db2.gz SDEUDSYYKHQNJY-ACRUOGEOSA-N 2 0 324.468 2.754 20 0 DFADRP CC1(C)C[NH2+]CC[C@@H]1[NH2+]CCC(=O)Nc1ccc(Cl)cc1 ZINC000420366435 296181212 /nfs/dbraw/zinc/18/12/12/296181212.db2.gz RCCPDYMWQMBNKZ-AWEZNQCLSA-N 2 0 309.841 2.646 20 0 DFADRP CC[C@H](c1ccccc1)[N@H+](CC[C@@H]1CC[NH2+]C1)CC(=O)OC ZINC000420373630 296182319 /nfs/dbraw/zinc/18/23/19/296182319.db2.gz MRNPNOVKLUAINW-DOTOQJQBSA-N 2 0 304.434 2.612 20 0 DFADRP C[C@@H]1CCC[C@H](CC[N@@H+]2CCC[C@H](n3cc(C[NH3+])nn3)C2)C1 ZINC000420376669 296182595 /nfs/dbraw/zinc/18/25/95/296182595.db2.gz KAWVPNANADTREG-INMHGKMJSA-N 2 0 305.470 2.590 20 0 DFADRP CC[C@@H]1C[N@H+](CC[C@@H]2CC[NH2+]C2)CCN1Cc1ccccc1 ZINC000420377920 296183002 /nfs/dbraw/zinc/18/30/02/296183002.db2.gz SVYQAZSRICWKGP-PKOBYXMFSA-N 2 0 301.478 2.582 20 0 DFADRP C[C@@H](CCN1CC[NH+](C)CC1)[NH2+][C@@H](C)Cc1cccc(Cl)c1 ZINC000282644882 217147449 /nfs/dbraw/zinc/14/74/49/217147449.db2.gz LJWFGYZKDHRLRK-HOTGVXAUSA-N 2 0 323.912 2.887 20 0 DFADRP Cn1c(C[NH2+]CC2=CC[N@H+](C)CC2)nc2cc(Cl)ccc21 ZINC000271773331 209202023 /nfs/dbraw/zinc/20/20/23/209202023.db2.gz BZUAIGDSQURDCL-UHFFFAOYSA-N 2 0 304.825 2.578 20 0 DFADRP FC1(F)CCC[C@H](C[N@@H+]2CC3(CC[NH2+]CC3)[C@@H]3COC[C@@H]32)C1 ZINC000420387269 296184477 /nfs/dbraw/zinc/18/44/77/296184477.db2.gz JXLVUZYYIIHFSO-ZNMIVQPWSA-N 2 0 314.420 2.512 20 0 DFADRP [NH3+][C@H]1CCCO[C@@H]1C1CC[NH+](CCSc2ccccc2)CC1 ZINC000420389062 296185076 /nfs/dbraw/zinc/18/50/76/296185076.db2.gz XTVAJLLCUDFDNG-ZWKOTPCHSA-N 2 0 320.502 2.997 20 0 DFADRP CSc1ccccc1NC(=O)CC[N@@H+]1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000420395610 296185707 /nfs/dbraw/zinc/18/57/07/296185707.db2.gz DODIFRURUGGBAR-UONOGXRCSA-N 2 0 321.490 2.654 20 0 DFADRP Cc1c2ccccc2oc1[C@H]([NH2+]CCN1CC[NH2+]CC1)C(C)C ZINC000420395554 296185741 /nfs/dbraw/zinc/18/57/41/296185741.db2.gz DNEJMCMBDGGUJV-GOSISDBHSA-N 2 0 315.461 2.933 20 0 DFADRP O=C(NCC12CCC[NH+]1CCC2)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC000614225393 399180840 /nfs/dbraw/zinc/18/08/40/399180840.db2.gz OGAFITRTBPPCEF-KRWDZBQOSA-N 2 0 319.493 2.528 20 0 DFADRP CC(=O)Nc1cccc(C[N@@H+]2CCCC[C@@H]2[C@H]2CC[NH2+]C2)c1 ZINC000420402489 296186566 /nfs/dbraw/zinc/18/65/66/296186566.db2.gz QOWUDCNBVBWRFM-FUHWJXTLSA-N 2 0 301.434 2.609 20 0 DFADRP COc1ccc([C@H](C[NH3+])C[NH2+][C@@H]2CCCO[C@H]2CC(C)C)cc1 ZINC000420404625 296186753 /nfs/dbraw/zinc/18/67/53/296186753.db2.gz MKPOGJDPGKWXJH-QRQLOZEOSA-N 2 0 320.477 2.921 20 0 DFADRP CCOc1ccccc1OCC[N@@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000420412586 296187500 /nfs/dbraw/zinc/18/75/00/296187500.db2.gz ZJORCTYQGCKZOO-IRXDYDNUSA-N 2 0 318.461 2.928 20 0 DFADRP CCN1CC[C@@H]([NH2+]CCC[NH2+]C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000420422367 296188224 /nfs/dbraw/zinc/18/82/24/296188224.db2.gz ZICJLYORLSTMMB-CVEARBPZSA-N 2 0 313.848 2.814 20 0 DFADRP COC(=O)c1cc2cc(C[N@@H+]3CC[C@@H](C)[C@H](C[NH3+])C3)ccc2o1 ZINC000420422752 296188259 /nfs/dbraw/zinc/18/82/59/296188259.db2.gz ZNMVRQCPMJDQPX-IUODEOHRSA-N 2 0 316.401 2.636 20 0 DFADRP C[C@H](Cn1cccn1)[NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]12 ZINC000282765151 217234471 /nfs/dbraw/zinc/23/44/71/217234471.db2.gz ZWEAGBKJFCHGRJ-VBSBHUPXSA-N 2 0 324.472 2.772 20 0 DFADRP CCC(C)(C)[NH2+][C@H](C)C(=O)N[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000618665518 399202875 /nfs/dbraw/zinc/20/28/75/399202875.db2.gz JXPYTFVKYVAFRK-CABCVRRESA-N 2 0 309.498 2.676 20 0 DFADRP CCC[NH+](CCC)CCCC(=O)N1CCC[N@H+](C)C[C@H]1CC ZINC000614336632 399212026 /nfs/dbraw/zinc/21/20/26/399212026.db2.gz ZZKGINJKDXZAGG-QGZVFWFLSA-N 2 0 311.514 2.831 20 0 DFADRP CCn1nccc1CC[N@H+]1C[C@@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000282983283 217367712 /nfs/dbraw/zinc/36/77/12/217367712.db2.gz FTSRANIVHYRJNR-KDURUIRLSA-N 2 0 324.472 2.509 20 0 DFADRP CSC1(C[NH2+]Cc2ccnn2CC2CCC2)CC[NH+](C)CC1 ZINC000601124811 399234362 /nfs/dbraw/zinc/23/43/62/399234362.db2.gz KHLOEYVUUQCQMJ-UHFFFAOYSA-N 2 0 322.522 2.600 20 0 DFADRP CC[C@H](C)[NH+]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)CC1 ZINC000622658084 399265693 /nfs/dbraw/zinc/26/56/93/399265693.db2.gz PJAXGBOJILYHGE-WMZOPIPTSA-N 2 0 321.509 2.726 20 0 DFADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+]C2CC3(C2)CCCCC3)CC1 ZINC000421328455 296244955 /nfs/dbraw/zinc/24/49/55/296244955.db2.gz SNOQWWMNYGMENS-KRWDZBQOSA-N 2 0 307.526 2.963 20 0 DFADRP C[C@@H](CNC(=O)c1sccc1C[NH+](C)C)C[NH+]1CCCCC1 ZINC000268019974 206398953 /nfs/dbraw/zinc/39/89/53/206398953.db2.gz IUSHCSGFSPVQEO-AWEZNQCLSA-N 2 0 323.506 2.662 20 0 DFADRP CC(C)C[NH+]1CCC(NC(=O)c2sccc2C[NH+](C)C)CC1 ZINC000268017172 206399454 /nfs/dbraw/zinc/39/94/54/206399454.db2.gz IBTXOYZGVLLTCG-UHFFFAOYSA-N 2 0 323.506 2.660 20 0 DFADRP CO[C@@]1(C)C[C@H]([NH2+]Cc2ccc(OCC[NH+](C)C)cc2)C1(C)C ZINC000608579144 399276411 /nfs/dbraw/zinc/27/64/11/399276411.db2.gz CCWSLEARRKMBNJ-HKUYNNGSSA-N 2 0 320.477 2.920 20 0 DFADRP CCOC(=O)[C@@H]1CC[C@H]([NH2+]C2CCC([NH+](C)C)CC2)C[C@H]1C ZINC000421372049 296249995 /nfs/dbraw/zinc/24/99/95/296249995.db2.gz LUCOFEOAFDHYNU-NCSWOWMGSA-N 2 0 310.482 2.817 20 0 DFADRP COc1cc2c(c(C[NH2+]C3CCC([NH+](C)C)CC3)c1)O[C@@H](C)C2 ZINC000421376537 296250409 /nfs/dbraw/zinc/25/04/09/296250409.db2.gz RHRXYFRMRJCCRB-IGEOTXOUSA-N 2 0 318.461 2.981 20 0 DFADRP c1cnc2ccc(C[NH+]3CCN(c4cc[nH+]cc4)CC3)cc2c1 ZINC000601572325 399302477 /nfs/dbraw/zinc/30/24/77/399302477.db2.gz UOHZLWMKENTZEN-UHFFFAOYSA-N 2 0 304.397 2.952 20 0 DFADRP CC1CC[NH+](CCNC2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000041626617 183211576 /nfs/dbraw/zinc/21/15/76/183211576.db2.gz VOYLWPDZISQQSS-UHFFFAOYSA-N 2 0 315.505 2.973 20 0 DFADRP COC(=O)c1cc(C[NH+]2CCC(C[N@H+](C)C(C)C)CC2)oc1C ZINC000609133508 399304556 /nfs/dbraw/zinc/30/45/56/399304556.db2.gz PEYHEQGBDDXIMS-UHFFFAOYSA-N 2 0 322.449 2.927 20 0 DFADRP COC(=O)[C@@H](c1ccccc1)N1CCC[C@H](n2ccnc2C)C1 ZINC000609799080 399331735 /nfs/dbraw/zinc/33/17/35/399331735.db2.gz IZUCCAAQCBGDRF-DLBZAZTESA-N 2 0 313.401 2.743 20 0 DFADRP CC[NH+](CC)C[C@@H]1CCCC[C@H]1[NH2+]Cc1cnc2cnccn12 ZINC000344853440 284697917 /nfs/dbraw/zinc/69/79/17/284697917.db2.gz XRAUTHBDZRUUAE-DOTOQJQBSA-N 2 0 315.465 2.720 20 0 DFADRP C[C@H]([NH2+]CCCC1(O)CCC1)c1cccc(OCC[NH+](C)C)c1 ZINC000421855510 296278097 /nfs/dbraw/zinc/27/80/97/296278097.db2.gz MEVSNAGSKUVWHJ-INIZCTEOSA-N 2 0 320.477 2.973 20 0 DFADRP Cc1cc(N(C)C[C@@H]2CCC[N@H+](C)[C@H]2c2ccnn2C)cc[nH+]1 ZINC000284548341 218072821 /nfs/dbraw/zinc/07/28/21/218072821.db2.gz FGXJOCHMRGUDJO-MAUKXSAKSA-N 2 0 313.449 2.643 20 0 DFADRP C[C@H]1CCCC[C@@H]1OCC[NH+]1CCC(C[NH+]2CCOCC2)CC1 ZINC000051959628 425883725 /nfs/dbraw/zinc/88/37/25/425883725.db2.gz LNOVUKGKAHKGJX-HKUYNNGSSA-N 2 0 324.509 2.626 20 0 DFADRP CC(C)[NH+]1CCN([C@H]2CC[N@H+](C[C@@H](C)c3ccccc3)C2)CC1 ZINC000610250403 399350901 /nfs/dbraw/zinc/35/09/01/399350901.db2.gz DGSOEVRDJKVMEI-QUCCMNQESA-N 2 0 315.505 2.890 20 0 DFADRP C[C@H]([NH2+][C@H]1CC[N@H+](C)C(C)(C)C1)c1ccc(-n2cncn2)cc1 ZINC000623340513 399366378 /nfs/dbraw/zinc/36/63/78/399366378.db2.gz LJCAIAHVBDXVAO-HOCLYGCPSA-N 2 0 313.449 2.791 20 0 DFADRP C[NH+](C)C1CCC(NC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)CC1 ZINC000422012227 296290559 /nfs/dbraw/zinc/29/05/59/296290559.db2.gz VRVZWHRQQOWRPO-LEOMRAHMSA-N 2 0 321.509 2.773 20 0 DFADRP C[NH+](C)CCOc1cccc(CN[C@H]2CC[N@H+](C)C(C)(C)C2)c1 ZINC000623361612 399372784 /nfs/dbraw/zinc/37/27/84/399372784.db2.gz GSHPWRINZGAUMM-KRWDZBQOSA-N 2 0 319.493 2.589 20 0 DFADRP C[C@@H]1C[N@H+](CCC[NH2+][C@H]2CCCc3c(O)cccc32)CCCO1 ZINC000285154483 218311981 /nfs/dbraw/zinc/31/19/81/218311981.db2.gz MJRQNIMVDFBCBR-QAPCUYQASA-N 2 0 318.461 2.860 20 0 DFADRP COC(=O)c1coc([C@H](C)[NH2+]Cc2cccc3c2CC[NH2+]C3)c1 ZINC000602022283 399386149 /nfs/dbraw/zinc/38/61/49/399386149.db2.gz TVMVWGGNVDAWPZ-LBPRGKRZSA-N 2 0 314.385 2.563 20 0 DFADRP C[C@@H]1C[N@@H+](CCCC[NH2+]Cc2ccncc2Cl)C[C@H](C)O1 ZINC000623424982 399386676 /nfs/dbraw/zinc/38/66/76/399386676.db2.gz MYAWHKVJPBTZQK-OKILXGFUSA-N 2 0 311.857 2.714 20 0 DFADRP CCC[NH+]1CCC([N@H+](C)CCC(=O)Nc2ccc(F)cc2)CC1 ZINC000109788205 194284219 /nfs/dbraw/zinc/28/42/19/194284219.db2.gz ISMYDOJZTVZGPB-UHFFFAOYSA-N 2 0 321.440 2.961 20 0 DFADRP CCC[NH+]1CCC([N@H+](C)CCOCCOc2ccccc2)CC1 ZINC000109786851 194284510 /nfs/dbraw/zinc/28/45/10/194284510.db2.gz HOIWHFSEDJFUFR-UHFFFAOYSA-N 2 0 320.477 2.888 20 0 DFADRP COc1ccc(C[NH2+]C2CCC([NH3+])CC2)cc1OC(F)F ZINC000051693514 183834676 /nfs/dbraw/zinc/83/46/76/183834676.db2.gz KPZYOMHSPHLGKI-UHFFFAOYSA-N 2 0 300.349 2.656 20 0 DFADRP C[C@@H]1C[C@@H](C)[N@H+](Cc2cnn(-c3ccc(F)cc3)c2)C[C@H]1C[NH3+] ZINC000422561086 296312542 /nfs/dbraw/zinc/31/25/42/296312542.db2.gz IXNYSPOGQMSZLY-IIAWOOMASA-N 2 0 316.424 2.817 20 0 DFADRP C[C@@H]1C[C@H](C)[N@H+](Cc2ccc(-c3cnn(C)c3)s2)C[C@@H]1C[NH3+] ZINC000422559487 296312324 /nfs/dbraw/zinc/31/23/24/296312324.db2.gz DFSGHGFRVRBCBV-RDBSUJKOSA-N 2 0 318.490 2.954 20 0 DFADRP C[C@@H]1C[C@H](C)[N@H+](Cc2cnn(-c3ccc(F)cc3)c2)C[C@@H]1C[NH3+] ZINC000422561088 296312767 /nfs/dbraw/zinc/31/27/67/296312767.db2.gz IXNYSPOGQMSZLY-YCPHGPKFSA-N 2 0 316.424 2.817 20 0 DFADRP C[C@H]([NH2+]CCCC[NH+](C)C)c1cnn(Cc2ccccc2)c1 ZINC000268864725 207034127 /nfs/dbraw/zinc/03/41/27/207034127.db2.gz CKLKLRBLBRVRKY-INIZCTEOSA-N 2 0 300.450 2.924 20 0 DFADRP CC(C)[C@@H](C(=O)NCc1cccc(C[N@H+](C)C(C)C)c1)[NH+](C)C ZINC000110870587 194365480 /nfs/dbraw/zinc/36/54/80/194365480.db2.gz UXVSANAESXFMQP-SFHVURJKSA-N 2 0 319.493 2.729 20 0 DFADRP CC[N@@H+]1CC[C@H]([NH2+]CCc2nc3c(cccc3C)o2)[C@@H](C)C1 ZINC000268880110 207050755 /nfs/dbraw/zinc/05/07/55/207050755.db2.gz AVTXGMAJRMSZNU-GJZGRUSLSA-N 2 0 301.434 2.999 20 0 DFADRP CC[N@@H+]1CC[C@H]([NH2+][C@H]2CCN(c3cccc(OC)c3)C2)[C@H](C)C1 ZINC000268880702 207051784 /nfs/dbraw/zinc/05/17/84/207051784.db2.gz WOTKATQJYDLQDX-GJYPPUQNSA-N 2 0 317.477 2.594 20 0 DFADRP CCC[N@@H+]1CC[C@@H](NC(=O)c2ccc(C[NH+](CC)CC)cc2)C1 ZINC000619895426 399400875 /nfs/dbraw/zinc/40/08/75/399400875.db2.gz LAQGXYWBFGPXEB-GOSISDBHSA-N 2 0 317.477 2.743 20 0 DFADRP C[C@@H]1C[C@H](C)[N@H+](CCc2nc(-c3ccccc3)no2)C[C@H]1C[NH3+] ZINC000422640727 296317719 /nfs/dbraw/zinc/31/77/19/296317719.db2.gz VYFOFEABDOABET-IJEWVQPXSA-N 2 0 314.433 2.584 20 0 DFADRP C[N@@H+]1CC[C@H]([NH2+]CC2CCN(CC(F)(F)F)CC2)CC1(C)C ZINC000623501770 399403409 /nfs/dbraw/zinc/40/34/09/399403409.db2.gz IRASCYGQMPTOQG-AWEZNQCLSA-N 2 0 321.431 2.723 20 0 DFADRP C[C@@H](NCC(C)(C)[N@@H+]1CCc2ccccc2C1)[C@H]1CCC[NH2+]1 ZINC000422699050 296318285 /nfs/dbraw/zinc/31/82/85/296318285.db2.gz CHOCCBAGXKSAIT-CRAIPNDOSA-N 2 0 301.478 2.553 20 0 DFADRP C[N@@H+]1CC[C@H]([NH2+]C[C@]2(O)CCC[C@@H](C(F)(F)F)C2)CC1(C)C ZINC000623502771 399403317 /nfs/dbraw/zinc/40/33/17/399403317.db2.gz ZZOACDWHTDFWTI-IPYPFGDCSA-N 2 0 322.415 2.932 20 0 DFADRP C[C@@H](NCC(C)(C)[N@@H+]1CCc2ccccc2C1)[C@H]1CCCC[NH2+]1 ZINC000422703005 296318527 /nfs/dbraw/zinc/31/85/27/296318527.db2.gz MBKUKWORVDMOFE-VQIMIIECSA-N 2 0 315.505 2.944 20 0 DFADRP C[C@H](C[C@H](C)[NH3+])[NH2+]Cc1cccc(NC(=O)c2ccccn2)c1 ZINC000422704671 296318809 /nfs/dbraw/zinc/31/88/09/296318809.db2.gz AKSVBSPQOAOYRY-UONOGXRCSA-N 2 0 312.417 2.549 20 0 DFADRP c1ccc(NCCCC[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)nc1 ZINC000422705594 296318986 /nfs/dbraw/zinc/31/89/86/296318986.db2.gz SDHNVYGPZITYDY-ZACQAIPSSA-N 2 0 302.466 2.784 20 0 DFADRP COc1ccc(CC[NH2+][C@H]2CCCCC[C@H]2[NH3+])c(OC)c1OC ZINC000422709358 296319620 /nfs/dbraw/zinc/31/96/20/296319620.db2.gz YZLIYWKJUWDLLS-CABCVRRESA-N 2 0 322.449 2.505 20 0 DFADRP C[C@H](CCCC[NH3+])[NH2+][C@@H](C)c1cccc(N2CCCC2=O)c1 ZINC000422709070 296319466 /nfs/dbraw/zinc/31/94/66/296319466.db2.gz YPNVVKDRNXTAHP-CABCVRRESA-N 2 0 303.450 2.982 20 0 DFADRP Cc1ccc2nc(C[NH+]3CCC(CC[NH+](C)C)CC3)cn2c1 ZINC000056522996 184015241 /nfs/dbraw/zinc/01/52/41/184015241.db2.gz LYXDHEFDBDXDJZ-UHFFFAOYSA-N 2 0 300.450 2.806 20 0 DFADRP C[NH+](C)CCCOc1ccc(C[NH2+][C@H]2CCCC[C@H]2C[NH3+])cc1 ZINC000422714130 296320464 /nfs/dbraw/zinc/32/04/64/296320464.db2.gz KQWACNFDXJCZRU-HKUYNNGSSA-N 3 0 319.493 2.624 20 0 DFADRP CCOC(=O)C1([C@@H](C)[NH2+][C@H](C)c2ccc(C)cc2)CC[NH2+]CC1 ZINC000422711367 296320078 /nfs/dbraw/zinc/32/00/78/296320078.db2.gz FVQAXRZZCFBKBQ-HZPDHXFCSA-N 2 0 318.461 2.967 20 0 DFADRP C[C@@H]([NH2+][C@H](C)C1C[NH2+]C1)c1cccc(OCc2ccccn2)c1 ZINC000422723702 296321626 /nfs/dbraw/zinc/32/16/26/296321626.db2.gz SBWWYYLCODCANY-HUUCEWRRSA-N 2 0 311.429 2.919 20 0 DFADRP C[NH+](C)[C@H]1C[C@@H](C[NH2+]Cc2ccsc2Br)C1 ZINC000623560339 399416590 /nfs/dbraw/zinc/41/65/90/399416590.db2.gz CBVAVXXYMFIYAA-JGZJWPJOSA-N 2 0 303.269 2.940 20 0 DFADRP CC(C)[C@@](C)(O)C[NH2+]Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000602275536 399418023 /nfs/dbraw/zinc/41/80/23/399418023.db2.gz HHEGIAXXUPFCKV-IBGZPJMESA-N 2 0 320.477 2.658 20 0 DFADRP CCC(CC)C(=O)N1CCC([NH2+][C@@H](C)[C@@H]2CCCC[NH2+]2)CC1 ZINC000422724862 296322036 /nfs/dbraw/zinc/32/20/36/296322036.db2.gz WVKHVINJCXJFID-YOEHRIQHSA-N 2 0 309.498 2.534 20 0 DFADRP Cn1cc(C[C@H]2CCC[C@@H]2[NH2+][C@H]2CC[N@H+](C)C(C)(C)C2)cn1 ZINC000623570427 399419154 /nfs/dbraw/zinc/41/91/54/399419154.db2.gz RIKBQWKWHYCDGE-IKGGRYGDSA-N 2 0 304.482 2.594 20 0 DFADRP C(C1CC1)[NH+]1CCC(N[C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)CC1 ZINC000422724955 296322116 /nfs/dbraw/zinc/32/21/16/296322116.db2.gz XGNKLAZNZUPRSL-GUDVDZBRSA-N 2 0 305.510 2.761 20 0 DFADRP [NH3+]C1CCC([NH2+]C2CCN(Cc3ccc(F)cc3)CC2)CC1 ZINC000422726075 296322164 /nfs/dbraw/zinc/32/21/64/296322164.db2.gz ZFKZXEIPSVYRLU-UHFFFAOYSA-N 2 0 305.441 2.650 20 0 DFADRP CCC(CC)C(=O)N1CCC([NH2+][C@H](C)[C@H]2CCCC[NH2+]2)CC1 ZINC000422724860 296322275 /nfs/dbraw/zinc/32/22/75/296322275.db2.gz WVKHVINJCXJFID-RHSMWYFYSA-N 2 0 309.498 2.534 20 0 DFADRP CCc1ccc([C@H](C[NH2+][C@@H]2CCCC[C@@H]2C[NH3+])N(C)C)cc1 ZINC000422729472 296322863 /nfs/dbraw/zinc/32/28/63/296322863.db2.gz IDWGLGIKUQBFEL-QRVBRYPASA-N 2 0 303.494 2.959 20 0 DFADRP Cc1c([C@@H](C)[NH2+]CCCC[NH+](C)C)nnn1-c1ccc(F)cc1 ZINC000268992808 207149192 /nfs/dbraw/zinc/14/91/92/207149192.db2.gz KBFVKAQPWLIPNE-CYBMUJFWSA-N 2 0 319.428 2.707 20 0 DFADRP CC(C)COc1ccc([C@H](C)[NH2+]CC2(O)CC[NH+](C)CC2)cc1 ZINC000268990095 207146113 /nfs/dbraw/zinc/14/61/13/207146113.db2.gz MGYJOQVMPBKECP-INIZCTEOSA-N 2 0 320.477 2.829 20 0 DFADRP CC[C@H](NC1CC[NH+](Cc2ccccc2)CC1)[C@@H]1CCC[NH2+]1 ZINC000422729239 296322820 /nfs/dbraw/zinc/32/28/20/296322820.db2.gz KEWCFGKQAPWUBP-OALUTQOASA-N 2 0 301.478 2.771 20 0 DFADRP c1cc(CC[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)cc2c1OCC2 ZINC000422730910 296323062 /nfs/dbraw/zinc/32/30/62/296323062.db2.gz MTOCXISTDYEZSX-KURKYZTESA-N 2 0 300.446 2.674 20 0 DFADRP CCOC(=O)CCC1CC[NH+](CC[C@H]2CCCC[N@@H+]2C)CC1 ZINC000610997835 399426780 /nfs/dbraw/zinc/42/67/80/399426780.db2.gz KBEUVUNRXZBOHS-QGZVFWFLSA-N 2 0 310.482 2.916 20 0 DFADRP C[C@H](CC[NH+](C)C)NC1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000269009991 207162508 /nfs/dbraw/zinc/16/25/08/207162508.db2.gz NKBUXDMRMWHJEW-MRXNPFEDSA-N 2 0 321.484 2.762 20 0 DFADRP CCOc1ccc(C[NH2+]C[C@@H]2CCCC[N@H+](C)C2)cc1OC ZINC000623654798 399435749 /nfs/dbraw/zinc/43/57/49/399435749.db2.gz JKQDXTSJSNZZDY-INIZCTEOSA-N 2 0 306.450 2.915 20 0 DFADRP C[N@@H+]1CCCC[C@@H](C[NH2+]C2CCN(c3ccccc3)CC2)C1 ZINC000623657218 399436856 /nfs/dbraw/zinc/43/68/56/399436856.db2.gz LNESLFHNWVVXRJ-KRWDZBQOSA-N 2 0 301.478 2.977 20 0 DFADRP CCOc1cc(C[NH2+]C[C@H]2CCCC[N@H+](C)C2)ccc1OC ZINC000623655042 399435561 /nfs/dbraw/zinc/43/55/61/399435561.db2.gz MVBBCJGPPFTUAV-MRXNPFEDSA-N 2 0 306.450 2.915 20 0 DFADRP COCCOc1ccc(C[NH2+]C[C@H]2CCCC[N@H+](C)C2)cc1 ZINC000623655620 399435618 /nfs/dbraw/zinc/43/56/18/399435618.db2.gz ALSNUPWNGFMPSC-QGZVFWFLSA-N 2 0 306.450 2.533 20 0 DFADRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@@H](C)c1ccc2c(c1)COC2 ZINC000269042856 207192573 /nfs/dbraw/zinc/19/25/73/207192573.db2.gz GZIOHKLHSKEHEJ-KBXCAEBGSA-N 2 0 306.450 2.724 20 0 DFADRP COc1ccc2c(c1)C[C@H]([NH2+]C[C@H]1CCCC[N@H+](C)C1)CC2 ZINC000623657686 399437992 /nfs/dbraw/zinc/43/79/92/399437992.db2.gz WPCHTLDFWBTIOH-CRAIPNDOSA-N 2 0 302.462 2.874 20 0 DFADRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@@H](Cc1ccccc1)C1CC1 ZINC000269050724 207201321 /nfs/dbraw/zinc/20/13/21/207201321.db2.gz IGTYPQZQSJPESF-MOPGFXCFSA-N 2 0 304.478 2.954 20 0 DFADRP CC[C@@H](CCO)C[NH2+][C@@H](C)c1ccc(OCC[NH+](C)C)cc1 ZINC000269054470 207203871 /nfs/dbraw/zinc/20/38/71/207203871.db2.gz ITSVDSYZEGWIRU-HOTGVXAUSA-N 2 0 308.466 2.686 20 0 DFADRP CC(C)n1nccc1[C@@H]1OCC[C@H]1[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000623733396 399453327 /nfs/dbraw/zinc/45/33/27/399453327.db2.gz LDFCBJQUYJOXDY-KYHPRHEASA-N 2 0 318.465 2.510 20 0 DFADRP COC(=O)C(C)(C)[C@@H]1CCC[N@H+](CC[C@H]2CCCC[NH+]2C)C1 ZINC000611322979 399462131 /nfs/dbraw/zinc/46/21/31/399462131.db2.gz ILVCBTGNVQPSPZ-HZPDHXFCSA-N 2 0 310.482 2.772 20 0 DFADRP Cc1cc(C)cc(C[NH2+]C[C@H](C(C)C)N2CC[NH+](C)CC2)c1 ZINC000063345227 184280535 /nfs/dbraw/zinc/28/05/35/184280535.db2.gz CYOIJFXUPFILED-LJQANCHMSA-N 2 0 303.494 2.665 20 0 DFADRP C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2ccc(-n3ccnc3)cc2)C1 ZINC000269137066 207268271 /nfs/dbraw/zinc/26/82/71/207268271.db2.gz UHXCYVJMQQWIHV-IEBWSBKVSA-N 2 0 310.445 2.788 20 0 DFADRP C[N@H+](Cc1ccccc1)CC(C)(C)CNC[C@@H]1CCC[NH+]1C ZINC000623785766 399465424 /nfs/dbraw/zinc/46/54/24/399465424.db2.gz IRLNIVXSXYIVLD-SFHVURJKSA-N 2 0 303.494 2.828 20 0 DFADRP [NH3+]CCCOC1CC[NH+](C/C=C/c2ccc(F)cc2F)CC1 ZINC000346693109 284928160 /nfs/dbraw/zinc/92/81/60/284928160.db2.gz KUZFHUKEJUPTQT-HNQUOIGGSA-N 2 0 310.388 2.808 20 0 DFADRP CC[C@H](C(=O)N1CCCC[C@H]1[C@H](C)[NH3+])[N@H+](C)Cc1ccccc1 ZINC000422735828 296323784 /nfs/dbraw/zinc/32/37/84/296323784.db2.gz WTUBLPXVMAETLR-JQHSSLGASA-N 2 0 317.477 2.625 20 0 DFADRP CN(C)C(=O)[C@@H]1CCC[C@H]([NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)C1 ZINC000422737451 296324163 /nfs/dbraw/zinc/32/41/63/296324163.db2.gz IGMJSXCYDMCAMP-MDMSPXHWSA-N 2 0 321.509 2.534 20 0 DFADRP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1[NH2+]CCc1ccccc1C(F)(F)F ZINC000422743580 296325029 /nfs/dbraw/zinc/32/50/29/296325029.db2.gz UHEOUOOEGBUNQF-WHOFXGATSA-N 2 0 316.367 2.590 20 0 DFADRP CC(C)NC(=O)[C@@H]1CCC[C@H]([NH2+][C@@H]2C[C@H]([NH3+])c3ccccc32)C1 ZINC000422745731 296325134 /nfs/dbraw/zinc/32/51/34/296325134.db2.gz MTKHDJCCOLABPC-IDCJVQTKSA-N 2 0 315.461 2.804 20 0 DFADRP C[C@@H](c1ccccc1)N1CC[C@@H]([NH2+]C2CCC(C[NH3+])CC2)C1 ZINC000422745843 296325169 /nfs/dbraw/zinc/32/51/69/296325169.db2.gz VVDSZFWQLPCIQK-NHFHULPWSA-N 2 0 301.478 2.929 20 0 DFADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)NCC1([NH+]2CCCC2)CCOCC1 ZINC000422743251 296324784 /nfs/dbraw/zinc/32/47/84/296324784.db2.gz REWKESPEYZNSMH-MSOLQXFVSA-N 2 0 323.525 2.532 20 0 DFADRP COc1ccccc1[C@@H](CN[C@H](C)[C@H]1CCC[NH2+]1)[NH+]1CCCC1 ZINC000422746885 296325504 /nfs/dbraw/zinc/32/55/04/296325504.db2.gz ORKOEGGKXXWPKP-KBAYOESNSA-N 2 0 317.477 2.562 20 0 DFADRP CC(C)[C@@H]([NH3+])C(=O)NC[C@H](c1cccs1)[NH+]1CCC(C)CC1 ZINC000269230891 207352227 /nfs/dbraw/zinc/35/22/27/207352227.db2.gz IKHUXDNZKQKWOQ-GDBMZVCRSA-N 2 0 323.506 2.621 20 0 DFADRP COc1ccccc1[C@H](CN[C@H](C)[C@@H]1CCC[NH2+]1)[NH+]1CCCC1 ZINC000422746886 296325760 /nfs/dbraw/zinc/32/57/60/296325760.db2.gz ORKOEGGKXXWPKP-NJAFHUGGSA-N 2 0 317.477 2.562 20 0 DFADRP C[NH2+]C[C@@H](C)C(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC000269236567 207361459 /nfs/dbraw/zinc/36/14/59/207361459.db2.gz GVTHABLUGZEAQP-OAHLLOKOSA-N 2 0 303.450 2.509 20 0 DFADRP Cc1nc2ccccc2n1CCC[NH2+][C@H]1CCCCC[C@H]1[NH3+] ZINC000422749676 296326073 /nfs/dbraw/zinc/32/60/73/296326073.db2.gz ALQZQIBYKBLLAZ-CVEARBPZSA-N 2 0 300.450 2.984 20 0 DFADRP CSCCCC[NH2+][C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422750538 296326099 /nfs/dbraw/zinc/32/60/99/296326099.db2.gz DGACYOMBDXYFEI-DOTOQJQBSA-N 2 0 306.475 2.975 20 0 DFADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]CCN(C)Cc1ccccc1 ZINC000422750821 296326305 /nfs/dbraw/zinc/32/63/05/296326305.db2.gz BUNJHUXZZZYVJF-HNNXBMFYSA-N 2 0 312.461 2.631 20 0 DFADRP CC(C)[C@@H]([NH3+])C(=O)NC[C@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC000269241128 207370545 /nfs/dbraw/zinc/37/05/45/207370545.db2.gz QPWMSYQFANWYFQ-HZPDHXFCSA-N 2 0 323.868 2.576 20 0 DFADRP [NH3+][C@@H]1C[C@H]([NH2+]C[C@@H](CO)Cc2ccc(F)cc2)c2ccccc21 ZINC000422753656 296326994 /nfs/dbraw/zinc/32/69/94/296326994.db2.gz GEOIXOKATDYLIL-KYNGSXCRSA-N 2 0 314.404 2.711 20 0 DFADRP c1ccc2c(c1)O[C@@]1(CC[NH2+]C1)C[C@H]2[NH2+]CCOC1CCCC1 ZINC000422759842 296328094 /nfs/dbraw/zinc/32/80/94/296328094.db2.gz KGAYYQYPACQDLS-MJGOQNOKSA-N 2 0 316.445 2.791 20 0 DFADRP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+]C[C@@H](CO)Cc1ccccc1 ZINC000422757075 296327803 /nfs/dbraw/zinc/32/78/03/296327803.db2.gz JIFAPZLNHPQODS-NZSAHSFTSA-N 2 0 304.478 2.738 20 0 DFADRP Clc1cccc(CC[NH2+][C@@H]2CCOC[C@H]2[C@@H]2CCC[NH2+]2)c1 ZINC000422763300 296328994 /nfs/dbraw/zinc/32/89/94/296328994.db2.gz NDWGGLYIIGNCLX-YESZJQIVSA-N 2 0 308.853 2.629 20 0 DFADRP COc1cccc([C@H](C[NH2+][C@@H](C)CCCC[NH3+])N2CCCC2)c1 ZINC000422761929 296328525 /nfs/dbraw/zinc/32/85/25/296328525.db2.gz NCQNDFOLQALQPR-LPHOPBHVSA-N 2 0 319.493 2.939 20 0 DFADRP CC[C@H](N[C@H]1CC[N@H+](Cc2ccccc2)C1)[C@@H]1CCCC[NH2+]1 ZINC000422761531 296328574 /nfs/dbraw/zinc/32/85/74/296328574.db2.gz MVQDVGBLZMHTKV-FHWLQOOXSA-N 2 0 301.478 2.771 20 0 DFADRP Cc1ccc([C@H](C)C[NH2+][C@@H]2CCOC[C@@H]2[C@H]2CCC[NH2+]2)cc1 ZINC000422762256 296328776 /nfs/dbraw/zinc/32/87/76/296328776.db2.gz MKJOJEYAQNAWLJ-NXWXRZEISA-N 2 0 302.462 2.845 20 0 DFADRP C[C@H]([NH3+])C[C@H](C)[NH2+][C@@H]1CCN(c2ccccc2OC(F)F)C1 ZINC000422762358 296328801 /nfs/dbraw/zinc/32/88/01/296328801.db2.gz NRBQXNSBKGLZIX-RWMBFGLXSA-N 2 0 313.392 2.582 20 0 DFADRP CCOc1cc(CCC[NH2+][C@@H](C)[C@H]2CC[NH2+]C2)ccc1OC ZINC000422763690 296328828 /nfs/dbraw/zinc/32/88/28/296328828.db2.gz ULLKCTWNFGKPQU-HOCLYGCPSA-N 2 0 306.450 2.614 20 0 DFADRP CC[NH+]1CCN(CCCC[NH2+][C@@H](C)c2nc(C)cs2)CC1 ZINC000623861884 399482185 /nfs/dbraw/zinc/48/21/85/399482185.db2.gz FSCUPIXPOVRJDK-HNNXBMFYSA-N 2 0 310.511 2.520 20 0 DFADRP C[C@H]([NH3+])[C@H](Cc1ccccc1)NCC1([NH+](C)C)CCCCC1 ZINC000422767153 296329519 /nfs/dbraw/zinc/32/95/19/296329519.db2.gz YERGWPKUCSBTKQ-WMZOPIPTSA-N 2 0 303.494 2.799 20 0 DFADRP COc1cccc(N2CCC[C@H]([NH2+][C@@H]3CC[NH2+]CC[C@H]3C)C2)c1 ZINC000422770061 296330392 /nfs/dbraw/zinc/33/03/92/296330392.db2.gz WHVAJLFCZIWDRY-JTDSTZFVSA-N 2 0 317.477 2.642 20 0 DFADRP COC(=O)c1csc(C[NH2+]C2CCC(C[NH+](C)C)CC2)c1 ZINC000602583126 399483255 /nfs/dbraw/zinc/48/32/55/399483255.db2.gz QDPRTMZRYWLOGR-UHFFFAOYSA-N 2 0 310.463 2.745 20 0 DFADRP C[C@H]([NH3+])[C@H]1COCC[C@H]1[NH2+]CC1(c2cccc(Cl)c2)CC1 ZINC000422767944 296329766 /nfs/dbraw/zinc/32/97/66/296329766.db2.gz NJNFYQCBJAEGCP-APHBMKBZSA-N 2 0 308.853 2.714 20 0 DFADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]CC1(c2ccc(F)cc2)CCOCC1 ZINC000422771175 296330250 /nfs/dbraw/zinc/33/02/50/296330250.db2.gz XVKSFUCUXDTFRT-YJBOKZPZSA-N 2 0 320.452 2.981 20 0 DFADRP Cc1cccc([C@H](C)C[NH2+][C@@H]2CCOC[C@@H]2[C@@H]2CCC[NH2+]2)c1 ZINC000422775951 296331033 /nfs/dbraw/zinc/33/10/33/296331033.db2.gz CRDPAYRBILRJCE-OQIJWPOYSA-N 2 0 302.462 2.845 20 0 DFADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccc(C[NH+]2CCCC2)cc1 ZINC000422781357 296331879 /nfs/dbraw/zinc/33/18/79/296331879.db2.gz IORWJIZXZGXDIE-OALUTQOASA-N 3 0 301.478 2.890 20 0 DFADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+][C@@H]1[C@H]2CCCO[C@H]2C1(C)C ZINC000422780856 296331932 /nfs/dbraw/zinc/33/19/32/296331932.db2.gz KUOBNWSEHQNLQD-WBQNTZJQSA-N 2 0 303.450 2.703 20 0 DFADRP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1[NH2+]CCSc1ccc(Cl)cc1 ZINC000422774881 296331148 /nfs/dbraw/zinc/33/11/48/296331148.db2.gz YVJMCTBMEWHPEM-CQDKDKBSSA-N 2 0 314.882 2.774 20 0 DFADRP CCOc1cc2c(cc1C[NH2+][C@@H]1CCC[C@@H]1C[NH3+])O[C@H](C)C2 ZINC000422778029 296331379 /nfs/dbraw/zinc/33/13/79/296331379.db2.gz GWRCEGGIEPSLAP-XJKCOSOUSA-N 2 0 304.434 2.626 20 0 DFADRP CC[NH+]1CCC(CC[NH2+][C@@H](Cc2ccccc2)[C@H](C)[NH3+])CC1 ZINC000422786030 296332543 /nfs/dbraw/zinc/33/25/43/296332543.db2.gz NZVZSIFBEQAMIF-LPHOPBHVSA-N 3 0 303.494 2.657 20 0 DFADRP C[C@H](C[C@H](C)[NH3+])[NH2+][C@@H]1CCCN(c2ccccc2Cl)C1=O ZINC000422780252 296332018 /nfs/dbraw/zinc/33/20/18/296332018.db2.gz KAHXNQRFZGYHDS-OUCADQQQSA-N 2 0 309.841 2.551 20 0 DFADRP CS[C@@H](C[NH2+]C1CC[NH+](CC(C)(C)O)CC1)C(C)(C)C ZINC000602612103 399490284 /nfs/dbraw/zinc/49/02/84/399490284.db2.gz ZFYFJMCLLOGDPE-AWEZNQCLSA-N 2 0 302.528 2.589 20 0 DFADRP CCC[NH+]1CCC(N[C@H]2CC[NH2+][C@@H](c3ccccc3)C2)CC1 ZINC000422784259 296332264 /nfs/dbraw/zinc/33/22/64/296332264.db2.gz NVNOVFSUUGCGEB-RBUKOAKNSA-N 2 0 301.478 2.944 20 0 DFADRP CC[C@@H](NCC1([NH+](C)C)Cc2ccccc2C1)[C@@H]1CCCC[NH2+]1 ZINC000422786367 296332578 /nfs/dbraw/zinc/33/25/78/296332578.db2.gz QHDPXVYCJGZAOY-MOPGFXCFSA-N 2 0 315.505 2.596 20 0 DFADRP CC[C@H](NCC1([NH+](C)C)Cc2ccccc2C1)[C@H]1CCCC[NH2+]1 ZINC000422786369 296332784 /nfs/dbraw/zinc/33/27/84/296332784.db2.gz QHDPXVYCJGZAOY-RBUKOAKNSA-N 2 0 315.505 2.596 20 0 DFADRP C[C@@H](CCCC[NH3+])[NH2+]C[C@H](CO)Cc1c(F)cccc1Cl ZINC000422789156 296332920 /nfs/dbraw/zinc/33/29/20/296332920.db2.gz BBVUYOYXXWNSAO-QWHCGFSZSA-N 2 0 316.848 2.737 20 0 DFADRP Clc1cnc(NCC[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)c(Cl)c1 ZINC000422792470 296333590 /nfs/dbraw/zinc/33/35/90/296333590.db2.gz XBYCOYNZCGHWLA-FOSCPWQOSA-N 2 0 315.248 2.673 20 0 DFADRP OCC[C@H](C[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1)c1ccccc1 ZINC000422792035 296333751 /nfs/dbraw/zinc/33/37/51/296333751.db2.gz WRTWPUABCZSJOV-YDZRNGNQSA-N 2 0 302.462 2.663 20 0 DFADRP Cc1c([C@H](C)[NH2+][C@@H](C)[C@H]2CC[NH2+]C2)cnn1-c1ccc(F)cc1 ZINC000422793763 296334065 /nfs/dbraw/zinc/33/40/65/296334065.db2.gz YGBNKTNCKXLEPT-YDHLFZDLSA-N 2 0 316.424 2.968 20 0 DFADRP [NH3+][C@H]1CCC[C@H]1NC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000422794207 296333994 /nfs/dbraw/zinc/33/39/94/296333994.db2.gz YLHLCEMWNWWYOH-DLBZAZTESA-N 2 0 307.869 2.774 20 0 DFADRP CC[NH+](CC)[C@H](CN[C@H](C)[C@@H]1CC[NH2+]C1)c1cccc(OC)c1 ZINC000422797437 296334750 /nfs/dbraw/zinc/33/47/50/296334750.db2.gz MNDCWTLCRJXIHQ-SZVBFZGTSA-N 2 0 319.493 2.666 20 0 DFADRP Cc1c([C@H](C)[NH2+][C@@H](C)[C@@H]2CC[NH2+]C2)cnn1-c1ccc(F)cc1 ZINC000422793759 296334076 /nfs/dbraw/zinc/33/40/76/296334076.db2.gz YGBNKTNCKXLEPT-KCQAQPDRSA-N 2 0 316.424 2.968 20 0 DFADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]CCc1nc(C(F)(F)F)cs1 ZINC000422801671 296335501 /nfs/dbraw/zinc/33/55/01/296335501.db2.gz CJIDZCOZWORQDC-ZJUUUORDSA-N 2 0 307.385 2.682 20 0 DFADRP c1ccc(C[NH+]2CCCCC2)c(C[NH2+][C@H]2CCC[NH2+]CC2)c1 ZINC000422796877 296334856 /nfs/dbraw/zinc/33/48/56/296334856.db2.gz ZIFLHHNKNGOUSW-IBGZPJMESA-N 3 0 301.478 2.904 20 0 DFADRP Cc1nc(C[NH3+])ccc1[C@@H](C)N[C@@H]1CC[N@H+](CC2CCCC2)C1 ZINC000422798336 296334955 /nfs/dbraw/zinc/33/49/55/296334955.db2.gz QRRXJENDEAEOTP-CRAIPNDOSA-N 2 0 316.493 2.764 20 0 DFADRP CC[NH+](CC)[C@H](CN[C@H](C)[C@H]1CCC[NH2+]1)c1cccc(OC)c1 ZINC000422798721 296335217 /nfs/dbraw/zinc/33/52/17/296335217.db2.gz SNRNFOCBMQLADV-ATZDWAIDSA-N 2 0 319.493 2.808 20 0 DFADRP C[C@H]1CC[NH2+]CC[C@@H]1[NH2+]Cc1cc(N(C)C)nc2ccccc12 ZINC000422807332 296336626 /nfs/dbraw/zinc/33/66/26/296336626.db2.gz MHJWQFNBFZKMLZ-YOEHRIQHSA-N 2 0 312.461 2.779 20 0 DFADRP COc1ccc(OC)c(C[NH2+][C@H](C)c2ccc(C[NH3+])nc2C)c1 ZINC000422806200 296336642 /nfs/dbraw/zinc/33/66/42/296336642.db2.gz MZBWYWDVRIUPQZ-GFCCVEGCSA-N 2 0 315.417 2.717 20 0 DFADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]C[C@H](c1ccsc1)N(C)C ZINC000422812084 296337669 /nfs/dbraw/zinc/33/76/69/296337669.db2.gz XEKPAFDKASUGDL-YVEFUNNKSA-N 2 0 318.490 2.864 20 0 DFADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]C[C@H](c1ccsc1)N(C)C ZINC000422812083 296337626 /nfs/dbraw/zinc/33/76/26/296337626.db2.gz XEKPAFDKASUGDL-SJKOYZFVSA-N 2 0 318.490 2.864 20 0 DFADRP CC(C)c1ccc([C@@H](C)[N@@H+]2CC[C@@H](n3cc(C[NH3+])nn3)C2)cc1 ZINC000631844723 399506140 /nfs/dbraw/zinc/50/61/40/399506140.db2.gz LRNGSDNGVNDCQL-RDTXWAMCSA-N 2 0 313.449 2.868 20 0 DFADRP C[C@H]([NH3+])[C@H]1COCC[C@@H]1[NH2+]CC(C)(C)c1cccc(Cl)c1 ZINC000422818666 296338935 /nfs/dbraw/zinc/33/89/35/296338935.db2.gz GVPIVWOXBLPBOQ-MAZHCROVSA-N 2 0 310.869 2.960 20 0 DFADRP C[C@@H](CCCC[NH3+])[NH2+]CCC1CCN(CC(F)(F)F)CC1 ZINC000422820160 296338987 /nfs/dbraw/zinc/33/89/87/296338987.db2.gz PFHPDHUACDOYLQ-ZDUSSCGKSA-N 2 0 309.420 2.758 20 0 DFADRP CCCCO[C@@H]1C[C@H]([NH2+][C@@H]2CCOC[C@H]2[C@@H]2CCC[NH2+]2)C1(C)C ZINC000422819516 296339076 /nfs/dbraw/zinc/33/90/76/296339076.db2.gz NCUXSMBRXRVISW-IECFSIQFSA-N 2 0 324.509 2.717 20 0 DFADRP CCC[N@H+](CC)CCN[C@@H](c1ccc(OC)cc1)[C@@H]1CCC[NH2+]1 ZINC000422816888 296338621 /nfs/dbraw/zinc/33/86/21/296338621.db2.gz BPASBJLEQWZPEJ-OALUTQOASA-N 2 0 319.493 2.810 20 0 DFADRP c1nn(-c2ccccc2)cc1C[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000422818112 296338623 /nfs/dbraw/zinc/33/86/23/296338623.db2.gz FQWATCUDFSFFKW-GBESFXJTSA-N 2 0 310.445 2.883 20 0 DFADRP c1cc(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)cc(N2CCCC2)n1 ZINC000422817975 296338747 /nfs/dbraw/zinc/33/87/47/296338747.db2.gz IZADMUWGPPCVBN-OKZBNKHCSA-N 2 0 314.477 2.692 20 0 DFADRP CC[C@@H](NCc1ccccc1OCC[NH+](C)C)[C@H]1CCCC[NH2+]1 ZINC000422824844 296339819 /nfs/dbraw/zinc/33/98/19/296339819.db2.gz OQSDYOQIAHEZFJ-QZTJIDSGSA-N 2 0 319.493 2.637 20 0 DFADRP [NH3+][C@@H]1CCCCC[C@H]1[NH2+]CCC1CCN(CC(F)(F)F)CC1 ZINC000422822090 296339359 /nfs/dbraw/zinc/33/93/59/296339359.db2.gz ZTTNKGPQJZPGEX-HUUCEWRRSA-N 2 0 321.431 2.900 20 0 DFADRP COc1ccccc1N1CCC([NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000422829831 296340810 /nfs/dbraw/zinc/34/08/10/296340810.db2.gz CBTFEKBWBCIVTI-SJPCQFCGSA-N 2 0 315.461 2.537 20 0 DFADRP Cc1cc(C)c([C@@H](C)[N@@H+]2CC[C@@H](n3cc(C[NH3+])nn3)C2)c(C)c1 ZINC000631846368 399508192 /nfs/dbraw/zinc/50/81/92/399508192.db2.gz XYULIFWSZZVCJM-NVXWUHKLSA-N 2 0 313.449 2.670 20 0 DFADRP Cc1cc(C)c([C@@H](C)[N@@H+]2CC[C@H](n3cc(C[NH3+])nn3)C2)c(C)c1 ZINC000631846370 399508353 /nfs/dbraw/zinc/50/83/53/399508353.db2.gz XYULIFWSZZVCJM-WBVHZDCISA-N 2 0 313.449 2.670 20 0 DFADRP C[C@@H](N[C@@H]1CCC[N@H+](Cc2ccccc2)C1)[C@@H]1CCCC[NH2+]1 ZINC000422833299 296341334 /nfs/dbraw/zinc/34/13/34/296341334.db2.gz MHHPGCXAJBCADQ-QRQLOZEOSA-N 2 0 301.478 2.771 20 0 DFADRP C[C@@H](NC[C@@H]1CCC[N@H+](Cc2cccs2)C1)[C@H]1CCC[NH2+]1 ZINC000422834946 296341856 /nfs/dbraw/zinc/34/18/56/296341856.db2.gz HZWQVDBPUJQBGD-HLLBOEOZSA-N 2 0 307.507 2.690 20 0 DFADRP [NH3+]C[C@@H]1CCC[C@H]1[NH2+]C[C@H]1CCCN(Cc2cccs2)C1 ZINC000422836179 296341949 /nfs/dbraw/zinc/34/19/49/296341949.db2.gz JKXVQIVCBTXOCT-HLLBOEOZSA-N 2 0 307.507 2.677 20 0 DFADRP C[C@H](C[NH2+][C@H]1CCC[C@@H]1[NH3+])Oc1ccccc1Br ZINC000422836858 296342163 /nfs/dbraw/zinc/34/21/63/296342163.db2.gz KSBLQEOAKFWQSY-WXHSDQCUSA-N 2 0 313.239 2.686 20 0 DFADRP Cc1ccc([C@H](CN[C@@H]2C[NH2+]CC[C@@H]2C)[NH+]2CCCC2)cc1 ZINC000422835892 296342213 /nfs/dbraw/zinc/34/22/13/296342213.db2.gz ZFBUJFPQEJLEIL-UHOSZYNNSA-N 2 0 301.478 2.720 20 0 DFADRP [NH3+]C[C@H]1CCC[C@@H]1[NH2+]Cc1ccc(NC(=O)c2ccncc2)cc1 ZINC000422845654 296343666 /nfs/dbraw/zinc/34/36/66/296343666.db2.gz OMMXULMVMZLIBE-AEFFLSMTSA-N 2 0 324.428 2.551 20 0 DFADRP C[C@H]([NH2+]C[C@H]1CCCN(Cc2cccs2)C1)[C@H]1CC[NH2+]C1 ZINC000422841266 296342641 /nfs/dbraw/zinc/34/26/41/296342641.db2.gz VLGDPXXIHVDXCT-XHSDSOJGSA-N 2 0 307.507 2.548 20 0 DFADRP COc1ccccc1N1CCC([NH2+][C@@H]2CCCC[C@@H]2C[NH3+])CC1 ZINC000422841030 296342746 /nfs/dbraw/zinc/34/27/46/296342746.db2.gz VBRKYLKKMSWUAY-NVXWUHKLSA-N 2 0 317.477 2.771 20 0 DFADRP C[C@@H](NC1CC[NH+](CCc2ccccc2)CC1)[C@@H]1CCCC[NH2+]1 ZINC000422841333 296342798 /nfs/dbraw/zinc/34/27/98/296342798.db2.gz CTKMEXWJLRSZQD-XLIONFOSSA-N 2 0 315.505 2.814 20 0 DFADRP COc1ccccc1N1CCC([NH2+][C@H]2CCCCC[C@H]2[NH3+])CC1 ZINC000422841371 296342830 /nfs/dbraw/zinc/34/28/30/296342830.db2.gz VVNOHTOIDGERQZ-SJORKVTESA-N 2 0 317.477 2.914 20 0 DFADRP [NH3+]C1CCC([NH2+]Cc2ccc(NC(=O)c3cccnc3)cc2)CC1 ZINC000422850263 296344571 /nfs/dbraw/zinc/34/45/71/296344571.db2.gz VUISIVGOPFBQHU-UHFFFAOYSA-N 2 0 324.428 2.693 20 0 DFADRP C[C@H](CCC[NH3+])[NH2+]Cc1ccc(NC(=O)c2ccncc2)cc1 ZINC000422845444 296343729 /nfs/dbraw/zinc/34/37/29/296343729.db2.gz OAWUBHNMPDQYDO-CQSZACIVSA-N 2 0 312.417 2.551 20 0 DFADRP CC(C)COc1ccc(CC[NH2+][C@@H]2CCOC[C@H]2[C@H](C)[NH3+])cc1 ZINC000422854457 296345381 /nfs/dbraw/zinc/34/53/81/296345381.db2.gz ASQLXOHVJICLPU-ZYSHUDEJSA-N 2 0 320.477 2.606 20 0 DFADRP Cc1c(Cl)cccc1NC(=O)CC[NH2+]C1CCC([NH3+])CC1 ZINC000422856239 296345589 /nfs/dbraw/zinc/34/55/89/296345589.db2.gz DZSMEEYHLHRCTO-UHFFFAOYSA-N 2 0 309.841 2.837 20 0 DFADRP C1CCC([N@@H+]2CC[C@@H](N[C@@H]3CCC[C@H]3[C@H]3CCCC[NH2+]3)C2)C1 ZINC000422855925 296345672 /nfs/dbraw/zinc/34/56/72/296345672.db2.gz DHPAROQDZIMKEZ-QXCFHYIPSA-N 2 0 305.510 2.904 20 0 DFADRP COCCCOc1cc(C)ccc1C[NH2+][C@@H]1CC[NH2+]CC[C@@H]1C ZINC000422850038 296344756 /nfs/dbraw/zinc/34/47/56/296344756.db2.gz CRAHNCMRWAJJFI-FUHWJXTLSA-N 2 0 320.477 2.888 20 0 DFADRP C[C@H](NC1CC[NH+](CCc2ccccc2)CC1)c1c[nH+]ccc1N ZINC000422852240 296344906 /nfs/dbraw/zinc/34/49/06/296344906.db2.gz XSZJYBBZCUONSK-INIZCTEOSA-N 2 0 324.472 2.852 20 0 DFADRP C[C@H]([NH3+])[C@H]1COCC[C@@H]1[NH2+]Cc1ccc(F)cc1C(F)(F)F ZINC000422852794 296344932 /nfs/dbraw/zinc/34/49/32/296344932.db2.gz BIIVWVOSCQUFRA-BHYNMZESSA-N 2 0 320.330 2.686 20 0 DFADRP CC[C@H](C(=O)N[C@H]1CCCC[C@@H]1C[NH3+])[N@H+](C)Cc1ccccc1 ZINC000422866062 296346992 /nfs/dbraw/zinc/34/69/92/296346992.db2.gz PPHRYZBXYHOQOG-FGTMMUONSA-N 2 0 317.477 2.531 20 0 DFADRP CC[C@H](C(=O)N[C@@H]1CCCC[C@H]1C[NH3+])[N@H+](C)Cc1ccccc1 ZINC000422866065 296347105 /nfs/dbraw/zinc/34/71/05/296347105.db2.gz PPHRYZBXYHOQOG-RCCFBDPRSA-N 2 0 317.477 2.531 20 0 DFADRP C[C@H]([NH2+]Cc1ccccc1C[N@@H+]1CCC[C@H](C)C1)C1C[NH2+]C1 ZINC000422874397 296348274 /nfs/dbraw/zinc/34/82/74/296348274.db2.gz CSPHVGVVGYHHOG-HOTGVXAUSA-N 3 0 301.478 2.616 20 0 DFADRP CSc1cc(C)ccc1C[NH2+][C@@H]1CCOC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000422872615 296348130 /nfs/dbraw/zinc/34/81/30/296348130.db2.gz HWPWZFVEQSFNFJ-BRWVUGGUSA-N 2 0 320.502 2.964 20 0 DFADRP C[C@@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]C1CCN(c2ccccn2)CC1 ZINC000422866813 296347201 /nfs/dbraw/zinc/34/72/01/296347201.db2.gz QZKAQDMCVIPKDK-APWZRJJASA-N 2 0 324.472 2.599 20 0 DFADRP Cc1c(Cl)cccc1NC(=O)CC[NH2+][C@H]1CCC[C@H]1C[NH3+] ZINC000422865353 296347234 /nfs/dbraw/zinc/34/72/34/296347234.db2.gz XWFDGJIHGAYOFO-WFASDCNBSA-N 2 0 309.841 2.694 20 0 DFADRP C[C@H]([NH2+]Cc1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1)C1C[NH2+]C1 ZINC000422866512 296347240 /nfs/dbraw/zinc/34/72/40/296347240.db2.gz QLQUTAWKDNYOKM-HOTGVXAUSA-N 3 0 301.478 2.616 20 0 DFADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]CCCN(C)CC(F)(F)F ZINC000422868600 296347415 /nfs/dbraw/zinc/34/74/15/296347415.db2.gz VPQNBNLTKLEMAD-KGLIPLIRSA-N 2 0 309.420 2.771 20 0 DFADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCN[C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)C1 ZINC000422878072 296349109 /nfs/dbraw/zinc/34/91/09/296349109.db2.gz IVQXDMREIPIQIX-RHQZKXFESA-N 2 0 307.526 2.865 20 0 DFADRP CCC1([NH+](C)C)CCN(C[C@H](C[NH3+])c2ccc(OC)cc2)CC1 ZINC000631865339 399512415 /nfs/dbraw/zinc/51/24/15/399512415.db2.gz IJJLIRSSMCSELX-KRWDZBQOSA-N 2 0 319.493 2.544 20 0 DFADRP COc1cc([C@H](C)[NH2+][C@@H](C)[C@H]2CCC[NH2+]C2)cc(OC)c1OC ZINC000422883770 296350102 /nfs/dbraw/zinc/35/01/02/296350102.db2.gz RBPRXDBRECHFRC-IHRRRGAJSA-N 2 0 322.449 2.751 20 0 DFADRP CCCC(=O)Nc1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000422882139 296349642 /nfs/dbraw/zinc/34/96/42/296349642.db2.gz PCFKRXSSNFJHKU-SJPCQFCGSA-N 2 0 301.434 2.798 20 0 DFADRP Cc1ccc(C[NH2+][C@@H]2CC[NH2+]CC[C@H]2C)c(O[C@H]2CCOC2)c1 ZINC000422881514 296349875 /nfs/dbraw/zinc/34/98/75/296349875.db2.gz YUNSPRNDSAGVPM-BPQIPLTHSA-N 2 0 318.461 2.640 20 0 DFADRP CC[C@H](C)NC(=O)c1cccc(C[NH2+]C2CCC(C[NH3+])CC2)c1 ZINC000422889518 296351193 /nfs/dbraw/zinc/35/11/93/296351193.db2.gz GIUVUXNMGODLNM-SYJJWHGVSA-N 2 0 317.477 2.822 20 0 DFADRP CC[C@H](NCC1([NH+]2CCC(OC)CC2)CCCC1)[C@@H]1CCC[NH2+]1 ZINC000422889758 296351323 /nfs/dbraw/zinc/35/13/23/296351323.db2.gz QMLZEIPKTRPELZ-ROUUACIJSA-N 2 0 323.525 2.530 20 0 DFADRP COc1ccc(CC[NH2+][C@H]2CCC[C@@H]2C[NH3+])cc1OC(F)F ZINC000422884869 296350648 /nfs/dbraw/zinc/35/06/48/296350648.db2.gz XUKKXGWELZQTIF-OLZOCXBDSA-N 2 0 314.376 2.556 20 0 DFADRP CC[C@H](NC[C@H](c1ccc(C)o1)[NH+]1CCCC1)[C@@H]1CCC[NH2+]1 ZINC000422885626 296350662 /nfs/dbraw/zinc/35/06/62/296350662.db2.gz YZVROJXJYLOCBE-YESZJQIVSA-N 2 0 305.466 2.845 20 0 DFADRP C[C@@H]([NH2+]CCCC[NH+]1C[C@H](C)C[C@@H](C)C1)c1cnccc1N ZINC000422887512 296350791 /nfs/dbraw/zinc/35/07/91/296350791.db2.gz YZVXWQDCEBHGHZ-BZUAXINKSA-N 2 0 304.482 2.903 20 0 DFADRP CC[C@H](C)NC(=O)c1cccc(C[NH2+][C@@H]2CC[NH2+]CC[C@H]2C)c1 ZINC000422887608 296350816 /nfs/dbraw/zinc/35/08/16/296350816.db2.gz BKVWKGQWMQMANN-RVKKMQEKSA-N 2 0 317.477 2.693 20 0 DFADRP C[C@@H]1C[N@H+](C)CC[C@@H]1NC[C@@H]1CCCC[NH+]1Cc1ccccc1 ZINC000119673719 195014199 /nfs/dbraw/zinc/01/41/99/195014199.db2.gz YQIQNLJNNWRWAO-HOJAQTOUSA-N 2 0 315.505 2.971 20 0 DFADRP COc1cccc(N2CC[C@@H](C[NH2+][C@@H](C)[C@H]3CCCC[NH2+]3)C2)c1 ZINC000422899834 296352725 /nfs/dbraw/zinc/35/27/25/296352725.db2.gz IGZQBYHTSXWDIU-TXPKVOOTSA-N 2 0 317.477 2.642 20 0 DFADRP COCCOc1ccc([C@@H](C)[NH2+]C2CCC([NH3+])CC2)cc1OC ZINC000422895084 296352234 /nfs/dbraw/zinc/35/22/34/296352234.db2.gz VHBCUBQWMKXQRV-IUDNXUCKSA-N 2 0 322.449 2.641 20 0 DFADRP C[C@H](CO)[C@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000347415958 285043486 /nfs/dbraw/zinc/04/34/86/285043486.db2.gz PQUNHHBOWUDYFS-NFWHEIDTSA-N 2 0 302.462 2.789 20 0 DFADRP Fc1ccc(C2(C[NH2+][C@@H]3CCOC[C@H]3[C@@H]3CCC[NH2+]3)CC2)cc1 ZINC000422897631 296352543 /nfs/dbraw/zinc/35/25/43/296352543.db2.gz JWVSVJLGUZJGLD-OKZBNKHCSA-N 2 0 318.436 2.604 20 0 DFADRP CCCCOc1ccc(CC[NH2+][C@@H]2CCOC[C@@H]2[C@H](C)[NH3+])cc1 ZINC000422904039 296353955 /nfs/dbraw/zinc/35/39/55/296353955.db2.gz WTBUYUGYAMUVQC-KFKAGJAMSA-N 2 0 320.477 2.750 20 0 DFADRP C[C@H]([NH2+][C@@H]1CCCN(Cc2c(F)cccc2F)C1)[C@H]1CC[NH2+]C1 ZINC000422906483 296354274 /nfs/dbraw/zinc/35/42/74/296354274.db2.gz JWCYKOPVLVEYAK-SOUVJXGZSA-N 2 0 323.431 2.517 20 0 DFADRP COc1cccc(N2CC[C@H](C[NH2+][C@H]3CCCC[C@H]3C[NH3+])C2)c1 ZINC000422907623 296354482 /nfs/dbraw/zinc/35/44/82/296354482.db2.gz XGRFFJGNDREMJT-GJYPPUQNSA-N 2 0 317.477 2.629 20 0 DFADRP CCc1cccc2c(CC[NH2+][C@@H]3CCOC[C@@H]3[C@H](C)[NH3+])c[nH]c21 ZINC000422915180 296355390 /nfs/dbraw/zinc/35/53/90/296355390.db2.gz XLXFQNPAMBYMJD-MORSLUCNSA-N 2 0 315.461 2.615 20 0 DFADRP COC[C@@H](CCC[NH3+])[NH2+][C@@H]1COc2c1ccc(Cl)c2Cl ZINC000422917310 296355403 /nfs/dbraw/zinc/35/54/03/296355403.db2.gz CZXRVTPFOSZRNF-BXKDBHETSA-N 2 0 319.232 2.770 20 0 DFADRP Clc1cc(CC[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)cc2c1OCCO2 ZINC000422927565 296356465 /nfs/dbraw/zinc/35/64/65/296356465.db2.gz GTBJJQIWGMNUJW-PBWFPOADSA-N 2 0 322.836 2.526 20 0 DFADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]CCc1cc(Cl)c2c(c1)OCCO2 ZINC000422930515 296356927 /nfs/dbraw/zinc/35/69/27/296356927.db2.gz USTHSOMEOXYUJH-DOMZBBRYSA-N 2 0 324.852 2.631 20 0 DFADRP CC(C)CCOc1ccccc1C[NH2+][C@@H]1CCOC[C@@H]1[C@H](C)[NH3+] ZINC000422932467 296357259 /nfs/dbraw/zinc/35/72/59/296357259.db2.gz FWWNKNOKSYZOQG-CGTJXYLNSA-N 2 0 320.477 2.953 20 0 DFADRP C[C@@H]([NH3+])C[C@@H](C)[NH2+]Cc1ccc(C(=O)N2CCCCC2)cc1 ZINC000422926766 296356354 /nfs/dbraw/zinc/35/63/54/296356354.db2.gz DYGKVENPNFCOEX-HUUCEWRRSA-N 2 0 303.450 2.528 20 0 DFADRP COc1ccc(C[C@@H](C)[NH2+]CC(C)(C)C[NH+](C)C)cc1OC ZINC000120121039 195100726 /nfs/dbraw/zinc/10/07/26/195100726.db2.gz VJTAWOARJPGPLK-CQSZACIVSA-N 2 0 308.466 2.812 20 0 DFADRP C[C@@H]([NH2+]CCCC(=O)Nc1ccc(Cl)cc1)[C@@H]1CCC[NH2+]1 ZINC000422944035 296359056 /nfs/dbraw/zinc/35/90/56/296359056.db2.gz MARYCJKJFNSUKC-DOMZBBRYSA-N 2 0 309.841 2.789 20 0 DFADRP CCOc1ccc(OCC[N@@H+]2CCC[C@H]3C[NH2+]CC[C@H]32)cc1 ZINC000631887488 399519545 /nfs/dbraw/zinc/51/95/45/399519545.db2.gz SBOIMDVNQYFADT-MAUKXSAKSA-N 2 0 304.434 2.538 20 0 DFADRP [NH3+]C[C@H]1CCC[C@@H]1[NH2+]CCCC(=O)Nc1ccc(Cl)cc1 ZINC000422947901 296359452 /nfs/dbraw/zinc/35/94/52/296359452.db2.gz QTMFQWVWEVTSMI-DOMZBBRYSA-N 2 0 309.841 2.776 20 0 DFADRP C[C@@H]([NH3+])C[C@@H](C)[NH2+]CCOc1cccc(Br)c1 ZINC000422949350 296359589 /nfs/dbraw/zinc/35/95/89/296359589.db2.gz TUCVISYVZTZCBE-GHMZBOCLSA-N 2 0 301.228 2.543 20 0 DFADRP C[C@@H]1C[N@@H+](Cc2cccc(N[C@H]3CCC[NH2+]CC3)c2)C[C@H](C)O1 ZINC000422955830 296360682 /nfs/dbraw/zinc/36/06/82/296360682.db2.gz NSKFWIFAAPJDRI-JZXOWHBKSA-N 2 0 317.477 2.850 20 0 DFADRP C[C@H](C[C@H](C)[NH3+])[NH2+]CCc1nc(-c2ccc(Cl)cc2)no1 ZINC000422955389 296360798 /nfs/dbraw/zinc/36/07/98/296360798.db2.gz JDTYXXWFMYBYRD-WDEREUQCSA-N 2 0 308.813 2.648 20 0 DFADRP Fc1ccc(OCC[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)cc1F ZINC000422951984 296360042 /nfs/dbraw/zinc/36/00/42/296360042.db2.gz BDZDBENILMQXAA-IAOVAPTHSA-N 2 0 310.388 2.854 20 0 DFADRP CC(C)(CO)[C@H](C[NH2+][C@H]1CCCC[C@H]1C[NH3+])c1ccccc1 ZINC000422962233 296361471 /nfs/dbraw/zinc/36/14/71/296361471.db2.gz CFHYALHOBLTUMJ-KSZLIROESA-N 2 0 304.478 2.896 20 0 DFADRP [NH3+]C[C@H]1CCC[C@H]1[NH2+]Cc1ccc(COC2CCOCC2)cc1 ZINC000422965508 296361899 /nfs/dbraw/zinc/36/18/99/296361899.db2.gz LERQNYDTHFPAFJ-IEBWSBKVSA-N 2 0 318.461 2.599 20 0 DFADRP C[C@H]1CCCC[N@@H+]1CCCCNC(=O)c1ccc2c(c1)C[NH2+]C2 ZINC000347537815 285072389 /nfs/dbraw/zinc/07/23/89/285072389.db2.gz RNLOIDJCCBWPNX-HNNXBMFYSA-N 2 0 315.461 2.674 20 0 DFADRP CCC(CC)[C@@H](CN[C@H](C)c1ccc(C[NH3+])nc1C)[NH+](C)C ZINC000422968599 296362706 /nfs/dbraw/zinc/36/27/06/296362706.db2.gz XGSFSLLCJDHNTE-FZKQIMNGSA-N 2 0 306.498 2.866 20 0 DFADRP C[C@H](CCC[NH3+])[NH2+]CCNc1cccc(Br)c1 ZINC000422966328 296362329 /nfs/dbraw/zinc/36/23/29/296362329.db2.gz QZJMCNSWRDAXQJ-LLVKDONJSA-N 2 0 300.244 2.578 20 0 DFADRP CC(C)[C@H](CN[C@@H](Cc1ccccc1)[C@H](C)[NH3+])[NH+]1CCCC1 ZINC000422967110 296362539 /nfs/dbraw/zinc/36/25/39/296362539.db2.gz SJQAOPNPHTXEDX-WDSOQIARSA-N 2 0 303.494 2.655 20 0 DFADRP CCCOc1ccc(C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)cn1 ZINC000422981439 296363867 /nfs/dbraw/zinc/36/38/67/296363867.db2.gz SUYKFIKLTCWLPI-GVDBMIGSSA-N 2 0 303.450 2.881 20 0 DFADRP CC(C)C[C@H](C)Oc1cc(C[NH2+][C@@H](C)[C@@H]2CC[NH2+]C2)ccn1 ZINC000422982412 296363882 /nfs/dbraw/zinc/36/38/82/296363882.db2.gz WPSOZMJTUKLLER-YQQAZPJKSA-N 2 0 305.466 2.983 20 0 DFADRP CCc1nn(C)c(CC)c1C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1 ZINC000422997197 296365229 /nfs/dbraw/zinc/36/52/29/296365229.db2.gz AWFUNIZPMYMYHH-FHLIZLRMSA-N 2 0 318.509 2.945 20 0 DFADRP CC[C@@H]([NH2+]CC1CCN(c2cc[nH+]cc2)CC1)[C@@H]1CCCC[NH2+]1 ZINC000422989031 296364629 /nfs/dbraw/zinc/36/46/29/296364629.db2.gz LKOVXCGCROOHDO-MOPGFXCFSA-N 3 0 316.493 2.808 20 0 DFADRP c1ccc(CCC[NH2+][C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)nc1 ZINC000422992236 296364884 /nfs/dbraw/zinc/36/48/84/296364884.db2.gz CIQKIHKDSZQPJI-ICSRJNTNSA-N 2 0 323.440 2.860 20 0 DFADRP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]CC1(CCO)CCCCC1 ZINC000423001538 296365926 /nfs/dbraw/zinc/36/59/26/296365926.db2.gz DVJAYUCWECDAKK-WMZOPIPTSA-N 2 0 304.478 2.867 20 0 DFADRP C[C@H]([NH2+][C@@H](C)C1C[NH2+]C1)[C@H](OC1CCOCC1)c1ccccc1 ZINC000423002909 296365938 /nfs/dbraw/zinc/36/59/38/296365938.db2.gz ZVHAXDYAMPIDAM-DOXZYTNZSA-N 2 0 318.461 2.509 20 0 DFADRP C[N@@H+]1CCC[C@H]2CN(c3nc4ccccc4n4cncc34)CC[C@@H]21 ZINC000624041029 399533262 /nfs/dbraw/zinc/53/32/62/399533262.db2.gz HBSPNUSXHJSTAW-HOCLYGCPSA-N 2 0 321.428 2.803 20 0 DFADRP COc1ccc(OC)c(CCC[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC000423009334 296367150 /nfs/dbraw/zinc/36/71/50/296367150.db2.gz CRGLSHSCQYMULN-XYPWUTKMSA-N 2 0 304.434 2.509 20 0 DFADRP C[C@@H]([NH3+])C[C@H](C)[NH2+]Cc1cccc(COCC(F)(F)F)c1 ZINC000423004402 296366345 /nfs/dbraw/zinc/36/63/45/296366345.db2.gz OXEDTOYVGZYURW-NEPJUHHUSA-N 2 0 304.356 2.981 20 0 DFADRP C[C@@H]1C[C@H](CC[NH2+][C@H]2CCC[C@H]2[NH3+])C[N@@H+]1Cc1ccccc1 ZINC000423006183 296366844 /nfs/dbraw/zinc/36/68/44/296366844.db2.gz UKOKCNONOARTNY-LULLPPNCSA-N 3 0 301.478 2.757 20 0 DFADRP COc1ccc(OC)c(CCC[NH2+][C@@H]2CC[NH2+]CC[C@H]2C)c1 ZINC000423009039 296366897 /nfs/dbraw/zinc/36/68/97/296366897.db2.gz BSHUKZSFPZHVQJ-RHSMWYFYSA-N 2 0 306.450 2.614 20 0 DFADRP Fc1ccccc1N1CCC[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000423010241 296366938 /nfs/dbraw/zinc/36/69/38/296366938.db2.gz FZFVXFVZRIJUSO-IUOOZAAYSA-N 2 0 303.425 2.667 20 0 DFADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CCCN(c2ccccc2F)C1 ZINC000423014046 296367644 /nfs/dbraw/zinc/36/76/44/296367644.db2.gz NYUBGJBYJBBNOO-UXLLHSPISA-N 2 0 305.441 2.902 20 0 DFADRP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+][C@H]1CCCN(c2ccccc2F)C1 ZINC000423014047 296367671 /nfs/dbraw/zinc/36/76/71/296367671.db2.gz NYUBGJBYJBBNOO-YQQAZPJKSA-N 2 0 305.441 2.902 20 0 DFADRP C[C@H](C[NH2+][C@@H](C)CCCC[NH3+])c1nc(-c2ccccc2)no1 ZINC000423014669 296367774 /nfs/dbraw/zinc/36/77/74/296367774.db2.gz PLXGFIJEYVEARU-KGLIPLIRSA-N 2 0 302.422 2.947 20 0 DFADRP OC[C@H]([NH2+][C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)c1ccccc1 ZINC000423010611 296367462 /nfs/dbraw/zinc/36/74/62/296367462.db2.gz YATUESMTNUXLBW-CMKODMSKSA-N 2 0 324.424 2.566 20 0 DFADRP C[C@H](CCCC[NH3+])[NH2+][C@@H]1CC(=O)N(C)[C@@H]1c1ccc(Cl)cc1 ZINC000423026912 296369164 /nfs/dbraw/zinc/36/91/64/296369164.db2.gz QLISSKZRWNGUHY-SRCQZFHVSA-N 2 0 323.868 2.719 20 0 DFADRP C[C@H](CCCC[NH3+])[NH2+][C@H]1CC(=O)N(C)[C@@H]1c1ccc(Cl)cc1 ZINC000423026910 296369227 /nfs/dbraw/zinc/36/92/27/296369227.db2.gz QLISSKZRWNGUHY-ISTRZQFTSA-N 2 0 323.868 2.719 20 0 DFADRP COc1ccc(OC)c(CCC[NH2+][C@@H]2CCCC[C@H]2C[NH3+])c1 ZINC000423018794 296368509 /nfs/dbraw/zinc/36/85/09/296368509.db2.gz ZTRJGFJGNWQLND-DOTOQJQBSA-N 2 0 306.450 2.744 20 0 DFADRP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]CC1([C@@H](C)CCO)CCC1 ZINC000423019624 296368622 /nfs/dbraw/zinc/36/86/22/296368622.db2.gz WMUBPIXZUJPWAR-XYJFISCASA-N 2 0 304.478 2.723 20 0 DFADRP COCC[C@@H](Cc1ccco1)[NH2+][C@H](C)c1ccc(C[NH3+])nc1C ZINC000423034909 296370126 /nfs/dbraw/zinc/37/01/26/296370126.db2.gz QQVVPTGDKNSVJI-HIFRSBDPSA-N 2 0 317.433 2.740 20 0 DFADRP CC[N@H+](Cc1ccc(C(=O)N2C[C@H](C[NH3+])C[C@H]2C)cc1)C(C)C ZINC000261889908 285098595 /nfs/dbraw/zinc/09/85/95/285098595.db2.gz VGGJSYLFWUPEID-WBVHZDCISA-N 2 0 317.477 2.726 20 0 DFADRP COc1ccc(C[C@H](C)C[NH2+]C2CCC(C[NH3+])CC2)cc1OC ZINC000423027607 296369620 /nfs/dbraw/zinc/36/96/20/296369620.db2.gz RPIWKTYIUYCQGM-UQPPLGOBSA-N 2 0 320.477 2.990 20 0 DFADRP CC[C@H]([NH2+]C[C@H](C)COc1ccccc1OC)[C@@H]1CCC[NH2+]1 ZINC000423028271 296369653 /nfs/dbraw/zinc/36/96/53/296369653.db2.gz SNFYOTYVHXHDOD-JYJNAYRXSA-N 2 0 306.450 2.830 20 0 DFADRP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1[NH2+]CC1(c2ccccc2Cl)CC1 ZINC000423028910 296369715 /nfs/dbraw/zinc/36/97/15/296369715.db2.gz TYQHOLTTZIDOOU-XEZPLFJOSA-N 2 0 308.853 2.714 20 0 DFADRP C[C@@H](CCCC[NH3+])[NH2+]CCCc1nc(-c2ccc(F)cc2)no1 ZINC000423030186 296369924 /nfs/dbraw/zinc/36/99/24/296369924.db2.gz JLAQLFJVSMKXLO-ZDUSSCGKSA-N 2 0 320.412 2.915 20 0 DFADRP C[C@H]([NH2+][C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)[C@@H]1CCCOC1 ZINC000423041510 296371101 /nfs/dbraw/zinc/37/11/01/296371101.db2.gz JFYGQFCCDOZIMI-MGTHKWJCSA-N 2 0 316.445 2.647 20 0 DFADRP C[C@H](NC1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000423039960 296370870 /nfs/dbraw/zinc/37/08/70/296370870.db2.gz GJBZGGMXINKSCJ-DZUNGVIMSA-N 2 0 313.489 2.770 20 0 DFADRP COC[C@H](CC1CCOCC1)[NH2+]C[C@@H]1CCN1C1CCCCC1 ZINC000624077925 399545416 /nfs/dbraw/zinc/54/54/16/399545416.db2.gz HWPYHBMLCXOXCU-HKUYNNGSSA-N 2 0 324.509 2.815 20 0 DFADRP C[C@H]1CC[NH2+]CC[C@@H]1[NH2+]CCCOCCOCc1ccccc1 ZINC000423043966 296371222 /nfs/dbraw/zinc/37/12/22/296371222.db2.gz QGLYXVAQBJTVLV-HKUYNNGSSA-N 2 0 320.477 2.588 20 0 DFADRP c1cc2c(s1)CCC[C@@H]2[NH2+][C@@H]1CCOC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000423044022 296371326 /nfs/dbraw/zinc/37/13/26/296371326.db2.gz ANNHSMFCRHPUFP-LVQVYYBASA-N 2 0 306.475 2.872 20 0 DFADRP [NH3+][C@H]1CCCCC[C@H]1[NH2+]CCCOCCOCc1ccccc1 ZINC000423046735 296371670 /nfs/dbraw/zinc/37/16/70/296371670.db2.gz ULYCZJGHUTYSDR-RBUKOAKNSA-N 2 0 320.477 2.860 20 0 DFADRP Cn1nc(CC[NH2+][C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)c2ccccc21 ZINC000423050622 296371927 /nfs/dbraw/zinc/37/19/27/296371927.db2.gz LORDGWZJBWWEAD-DJIMGWMZSA-N 2 0 312.461 2.626 20 0 DFADRP COc1ccccc1[C@H](C[NH2+][C@H]1CCC[C@@H]1C[NH3+])OC(C)C ZINC000423053413 296372550 /nfs/dbraw/zinc/37/25/50/296372550.db2.gz RZPXXQSBPWJHIF-HFTRVMKXSA-N 2 0 306.450 2.878 20 0 DFADRP C[C@H]1CC[C@H]([NH2+]CCCN2CCC[C@H]2C(N)=O)c2sccc21 ZINC000624086347 399548525 /nfs/dbraw/zinc/54/85/25/399548525.db2.gz BZSNTBGJPRUDAQ-QEJZJMRPSA-N 2 0 321.490 2.616 20 0 DFADRP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]C[C@@]1(C)CCO[C@@H]1C1CC1 ZINC000423049295 296372112 /nfs/dbraw/zinc/37/21/12/296372112.db2.gz JVJBVCBHTRMANJ-WQANXHIZSA-N 2 0 302.462 2.740 20 0 DFADRP Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)[NH2+][C@H](C)[C@H]1CC[NH2+]C1 ZINC000423050793 296372175 /nfs/dbraw/zinc/37/21/75/296372175.db2.gz ZIZVIUHVFDCBKV-NRUUGDAUSA-N 2 0 318.387 2.711 20 0 DFADRP C[NH+](C)[C@H](CN[C@@H]1CCC[C@@H]1[NH3+])c1cccc(C(F)(F)F)c1 ZINC000423050024 296372198 /nfs/dbraw/zinc/37/21/98/296372198.db2.gz LBKYWULSYRZNOE-RRFJBIMHSA-N 2 0 315.383 2.778 20 0 DFADRP COC[C@H](CCC[NH3+])[NH2+]CCc1cn(C)c2cc(Cl)ccc12 ZINC000423064128 296373708 /nfs/dbraw/zinc/37/37/08/296373708.db2.gz QMZIGJYDBWWRSK-HNNXBMFYSA-N 2 0 323.868 2.718 20 0 DFADRP COC[C@@H](CCC[NH3+])[NH2+]Cc1cc(Br)ccc1C ZINC000423058515 296373334 /nfs/dbraw/zinc/37/33/34/296373334.db2.gz JTMPQPVMMTYFDS-CQSZACIVSA-N 2 0 315.255 2.601 20 0 DFADRP Cc1oc2ccccc2c1C[NH2+][C@@H]1CCOC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000423057137 296373357 /nfs/dbraw/zinc/37/33/57/296373357.db2.gz ZFYHXEHAVSYEEX-KZNAEPCWSA-N 2 0 314.429 2.988 20 0 DFADRP CCOC(=O)C1([C@@H](C)[NH2+][C@@H]2CCCC(C)(C)C2)CC[NH2+]CC1 ZINC000423059452 296373631 /nfs/dbraw/zinc/37/36/31/296373631.db2.gz LSLWBDGGTRZHHF-HUUCEWRRSA-N 2 0 310.482 2.866 20 0 DFADRP C[C@H]([NH3+])[C@@H]1COCC[C@H]1[NH2+]C[C@@H](c1ccccc1)C(F)(F)F ZINC000423066594 296374005 /nfs/dbraw/zinc/37/40/05/296374005.db2.gz XJIGQQVCDZUHEY-CYUUQNCZSA-N 2 0 316.367 2.674 20 0 DFADRP CCOC[C@H]([NH2+][C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)C(C)C ZINC000423074495 296375230 /nfs/dbraw/zinc/37/52/30/296375230.db2.gz UVGOMFUMWIAKDE-ZIFCJYIRSA-N 2 0 318.461 2.893 20 0 DFADRP C[C@@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]CCOCC(F)(F)C(F)F ZINC000423073599 296375355 /nfs/dbraw/zinc/37/53/55/296375355.db2.gz JFGQHOAHEGGOMZ-RYUDHWBXSA-N 2 0 314.367 2.804 20 0 DFADRP CCCOc1ccc(C[NH2+][C@@H]2CCOC[C@@H]2[C@@H](C)[NH3+])c(C)c1 ZINC000423076156 296375571 /nfs/dbraw/zinc/37/55/71/296375571.db2.gz YGSUWTJQRGZRSL-ZTFGCOKTSA-N 2 0 306.450 2.626 20 0 DFADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]C[C@@H]1N(C)CCCC1(C)C ZINC000423082559 296376429 /nfs/dbraw/zinc/37/64/29/296376429.db2.gz DLBKSICJMHZKHB-GUYCJALGSA-N 2 0 304.482 2.620 20 0 DFADRP FC(F)(F)c1ccc(OCCC[NH2+][C@@H]2CCC[NH2+]CC2)nc1 ZINC000423083334 296376497 /nfs/dbraw/zinc/37/64/97/296376497.db2.gz YPRBWUFWGQQGMG-CYBMUJFWSA-N 2 0 317.355 2.601 20 0 DFADRP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+][C@H]1CC[C@@H](C(=O)N2CCCC2)C1 ZINC000423097275 296377807 /nfs/dbraw/zinc/37/78/07/296377807.db2.gz QPCXPKFERQIBFY-TVFCKZIOSA-N 2 0 321.509 2.678 20 0 DFADRP C[C@@H](CCCC[NH3+])[NH2+]Cc1ccncc1OCC(F)(F)F ZINC000423098398 296377864 /nfs/dbraw/zinc/37/78/64/296377864.db2.gz KUPYYRLYXXPJNI-NSHDSACASA-N 2 0 305.344 2.630 20 0 DFADRP CSc1ccc(CC[NH2+][C@@H]2CCOC[C@H]2[C@H]2CCC[NH2+]2)cc1 ZINC000423092436 296377443 /nfs/dbraw/zinc/37/74/43/296377443.db2.gz BWNUHVSCFLMODF-RCCFBDPRSA-N 2 0 320.502 2.698 20 0 DFADRP C1C(N[C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)CC1[NH+]1CCCCC1 ZINC000423092944 296377533 /nfs/dbraw/zinc/37/75/33/296377533.db2.gz DYVOQAZKZHPDHS-KFPRQRBHSA-N 2 0 305.510 2.904 20 0 DFADRP CCOc1ccc(C[NH2+][C@@H]2CCOC[C@@H]2[C@H](C)[NH3+])cc1Cl ZINC000423098711 296378089 /nfs/dbraw/zinc/37/80/89/296378089.db2.gz DJUNPXLPMVAQPA-NJZAAPMLSA-N 2 0 312.841 2.581 20 0 DFADRP C[C@@H](CC(=O)Nc1ccc(F)cc1)[NH2+]C[C@H]1CCCC[N@H+](C)C1 ZINC000624120051 399559119 /nfs/dbraw/zinc/55/91/19/399559119.db2.gz QKTPLWNSEULUJI-LSDHHAIUSA-N 2 0 321.440 2.864 20 0 DFADRP C[C@@H]1CSC[C@@H]1[NH2+][C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423100896 296378142 /nfs/dbraw/zinc/37/81/42/296378142.db2.gz CCTFSVUYCNDVSW-VWNJHIHFSA-N 2 0 304.459 2.583 20 0 DFADRP C[C@H]([NH2+][C@H](c1cncc(Br)c1)C1CC1)[C@H]1CC[NH2+]C1 ZINC000423104391 296378735 /nfs/dbraw/zinc/37/87/35/296378735.db2.gz MBWRKKBQBDVGBH-WBIUFABUSA-N 2 0 324.266 2.883 20 0 DFADRP CC1(C)SC[C@@H]1[NH2+][C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423113964 296380195 /nfs/dbraw/zinc/38/01/95/296380195.db2.gz ZLUNVQIFUYMFAG-JLJPHGGASA-N 2 0 304.459 2.726 20 0 DFADRP CCC[N@@H+]1CCC[C@H]1CN[C@H]1CC[NH2+][C@H](c2ccccc2)C1 ZINC000423112934 296380200 /nfs/dbraw/zinc/38/02/00/296380200.db2.gz SVQCTXDVZOTIMN-FHWLQOOXSA-N 2 0 301.478 2.944 20 0 DFADRP COCCCOc1ccc(C[NH2+][C@@H]2CCCC[C@H]2C[NH3+])cc1 ZINC000423114059 296380078 /nfs/dbraw/zinc/38/00/78/296380078.db2.gz ZVGMRBHWJDFUHP-FUHWJXTLSA-N 2 0 306.450 2.709 20 0 DFADRP COCC1(C[NH2+][C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)CCC1 ZINC000423116449 296380324 /nfs/dbraw/zinc/38/03/24/296380324.db2.gz PWLCBZURJIKYMC-APWZRJJASA-N 2 0 316.445 2.649 20 0 DFADRP CCOCC(C)(C)C[NH2+][C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423120699 296380645 /nfs/dbraw/zinc/38/06/45/296380645.db2.gz HIUZVFIJGCOKFJ-QFBILLFUSA-N 2 0 318.461 2.895 20 0 DFADRP CC(=O)N1C[C@@H]2CCC[C@H]([NH2+][C@H](C)C[C@H]3CCCCC[NH2+]3)[C@@H]2C1 ZINC000423120463 296380658 /nfs/dbraw/zinc/38/06/58/296380658.db2.gz GTVZJIGQQUTOBL-QTUASDBPSA-N 2 0 321.509 2.534 20 0 DFADRP C[C@H](C[C@H]1COCCN1)[NH2+][C@@H]1CCc2sc(Cl)cc21 ZINC000423119216 296380675 /nfs/dbraw/zinc/38/06/75/296380675.db2.gz BTHWHUCXMAFZRT-JFGNBEQYSA-N 2 0 300.855 2.745 20 0 DFADRP CC(C)[N@@H+](C)C[C@@H](C)N[C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423119135 296380763 /nfs/dbraw/zinc/38/07/63/296380763.db2.gz BGXKZJYVUUHIOS-HHXXYDBFSA-N 2 0 317.477 2.561 20 0 DFADRP C[N@H+](CCC(=O)NC[C@H]1CC[NH+](C(C)(C)C)C1)C1CCCCC1 ZINC000617000172 399561794 /nfs/dbraw/zinc/56/17/94/399561794.db2.gz UYLRKXPDSLJELM-MRXNPFEDSA-N 2 0 323.525 2.878 20 0 DFADRP C[C@H](C[C@@H]1COCCN1)[NH2+][C@H]1CCc2sc(Cl)cc21 ZINC000423119215 296380812 /nfs/dbraw/zinc/38/08/12/296380812.db2.gz BTHWHUCXMAFZRT-FOGDFJRCSA-N 2 0 300.855 2.745 20 0 DFADRP Cc1cc(C[NH2+][C@@H]2CCCC[C@H]2C[NH3+])cc(N2CCCC2)n1 ZINC000423122425 296381285 /nfs/dbraw/zinc/38/12/85/296381285.db2.gz KRZDCBZFBFFJMG-DLBZAZTESA-N 2 0 302.466 2.597 20 0 DFADRP [NH3+][C@H]1CCCCC[C@H]1[NH2+]CCc1cccc(C(F)(F)F)n1 ZINC000423122474 296380984 /nfs/dbraw/zinc/38/09/84/296380984.db2.gz CJWIZNOIGDWJBE-QWHCGFSZSA-N 2 0 301.356 2.893 20 0 DFADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]CCCCC[NH+]1CCCC1 ZINC000423130622 296382175 /nfs/dbraw/zinc/38/21/75/296382175.db2.gz GXUUCGLEOUFJHV-OAHLLOKOSA-N 3 0 304.482 2.765 20 0 DFADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]C[C@H](CO)C1CCCCC1 ZINC000423131008 296382211 /nfs/dbraw/zinc/38/22/11/296382211.db2.gz HNDLQMABZSBUGB-CZUORRHYSA-N 2 0 305.466 2.688 20 0 DFADRP [NH3+][C@@H]1CCC[C@@H]1NC[C@@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000423131596 296382213 /nfs/dbraw/zinc/38/22/13/296382213.db2.gz AUDLIACIHAOFAV-OTWHNJEPSA-N 2 0 301.478 2.758 20 0 DFADRP C=Cc1ccc(CC[NH2+][C@@H]2CCOC[C@H]2[C@@H]2CCC[NH2+]2)cc1 ZINC000423125632 296381624 /nfs/dbraw/zinc/38/16/24/296381624.db2.gz APJYTXHXXFHCIV-GBESFXJTSA-N 2 0 300.446 2.619 20 0 DFADRP c1ccc2c(c1)CC1(CCOCC1)[C@@H]2[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000423128044 296381951 /nfs/dbraw/zinc/38/19/51/296381951.db2.gz UTKRXQKQMGAARK-SUTQANCOSA-N 2 0 312.457 2.953 20 0 DFADRP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]C[C@H]1CCN(c2ccccc2F)C1 ZINC000423140983 296384002 /nfs/dbraw/zinc/38/40/02/296384002.db2.gz NLBSPXATIPQEDZ-HLLBOEOZSA-N 2 0 305.441 2.759 20 0 DFADRP CSc1ccc([C@H](C[NH2+][C@H]2CC[NH2+]CC[C@H]2C)N(C)C)cc1 ZINC000423142921 296384249 /nfs/dbraw/zinc/38/42/49/296384249.db2.gz BQMWPMPDLUZPKV-JLSDUUJJSA-N 2 0 321.534 2.989 20 0 DFADRP CSc1ccc([C@H](CN[C@H](C)[C@H]2CCC[NH2+]2)[NH+](C)C)cc1 ZINC000423146756 296384685 /nfs/dbraw/zinc/38/46/85/296384685.db2.gz QHJQEUMJFNTATF-XYPHTWIQSA-N 2 0 307.507 2.741 20 0 DFADRP Fc1ccc(C2CC2)cc1C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1COCCN1 ZINC000423149850 296385505 /nfs/dbraw/zinc/38/55/05/296385505.db2.gz XZHVEQXEZLQAKT-UHOSZYNNSA-N 2 0 318.436 2.950 20 0 DFADRP Cc1ccc(C2(C[NH2+][C@@H]3CCOC[C@@H]3[C@H](C)[NH3+])CC2)c(C)c1 ZINC000423147660 296385089 /nfs/dbraw/zinc/38/50/89/296385089.db2.gz SNYLSGYUPDVWRF-LZLYRXPVSA-N 2 0 302.462 2.677 20 0 DFADRP CCO[C@@H]1C[C@H]([NH2+][C@H](C)C[C@@H]2CCCCC[NH2+]2)[C@@H]1n1cccn1 ZINC000423151006 296385312 /nfs/dbraw/zinc/38/53/12/296385312.db2.gz ZNQYHENXHGQLBF-ICUGJSFKSA-N 2 0 320.481 2.502 20 0 DFADRP CCOC(=O)C1([C@H](C)[NH2+][C@H]2C[C@]2(CC)C(C)C)CC[NH2+]CC1 ZINC000423157053 296386131 /nfs/dbraw/zinc/38/61/31/296386131.db2.gz AAJJYGUJDLEINM-YQQAZPJKSA-N 2 0 310.482 2.722 20 0 DFADRP C[C@@H]1C[NH+](CC2CC[NH+](CC3CCC(=O)CC3)CC2)C[C@@H](C)O1 ZINC000347744742 285156100 /nfs/dbraw/zinc/15/61/00/285156100.db2.gz HSUJEKCUTVKYFL-HZPDHXFCSA-N 2 0 322.493 2.567 20 0 DFADRP CC[C@H](C)[C@H](C[NH2+][C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)OC ZINC000423154779 296385767 /nfs/dbraw/zinc/38/57/67/296385767.db2.gz IJQHOZPMYOLMEO-CBVHJVASSA-N 2 0 318.461 2.893 20 0 DFADRP CC[C@H](C)[C@H](C[NH2+][C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)OC ZINC000423154780 296385802 /nfs/dbraw/zinc/38/58/02/296385802.db2.gz IJQHOZPMYOLMEO-FXECBMLZSA-N 2 0 318.461 2.893 20 0 DFADRP c1ccc([C@@H]2C[C@@H]([N@@H+]3CCC[C@@]4(CCOC4)C3)CCN2)cc1 ZINC000423154829 296385823 /nfs/dbraw/zinc/38/58/23/296385823.db2.gz KBGAGFSDRBKLTE-GBESFXJTSA-N 2 0 300.446 2.982 20 0 DFADRP C[N@H+](CCCC[NH2+][C@@H]1CCN[C@H](c2ccccc2)C1)C1CC1 ZINC000423161887 296386990 /nfs/dbraw/zinc/38/69/90/296386990.db2.gz JXEGSQCZSBURJI-MJGOQNOKSA-N 2 0 301.478 2.944 20 0 DFADRP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCOC[C@@H]2[C@@H]2CCC[NH2+]2)c2ccccc2O1 ZINC000423166383 296387278 /nfs/dbraw/zinc/38/72/78/296387278.db2.gz ZCWRRSHUHAEJRI-SOVHRIKKSA-N 2 0 316.445 2.645 20 0 DFADRP CCOC(=O)C1([C@@H](C)[NH2+]CC(C)(C)C2CCC2)CC[NH2+]CC1 ZINC000423160585 296386459 /nfs/dbraw/zinc/38/64/59/296386459.db2.gz ZTQYZSDTZUFQPJ-CQSZACIVSA-N 2 0 310.482 2.724 20 0 DFADRP CCO[C@@H]1CCC[C@H]1[NH2+][C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423160792 296386532 /nfs/dbraw/zinc/38/65/32/296386532.db2.gz HWDOYYQUDRIXJD-RWQQGDIJSA-N 2 0 316.445 2.790 20 0 DFADRP C[C@H]1CC[NH2+]C[C@H]1NCC1([N@H+](C)Cc2ccccc2)CCC1 ZINC000423159218 296386555 /nfs/dbraw/zinc/38/65/55/296386555.db2.gz XPHNFAPQXWUYEB-FUHWJXTLSA-N 2 0 301.478 2.629 20 0 DFADRP COc1ccc([C@H](CO)C[NH2+][C@H](C)C[C@@H]2CCCCC[NH2+]2)cc1 ZINC000423171506 296387803 /nfs/dbraw/zinc/38/78/03/296387803.db2.gz ORZWKLAPPVXACC-NJAFHUGGSA-N 2 0 320.477 2.672 20 0 DFADRP CC1(C)CCC[N@@H+]1CCN[C@H]1CC[NH2+][C@H](c2ccccc2)C1 ZINC000423169242 296387838 /nfs/dbraw/zinc/38/78/38/296387838.db2.gz VVIUBXAQFPMPKR-ROUUACIJSA-N 2 0 301.478 2.944 20 0 DFADRP CCOC(=O)C1([C@H](C)[NH2+]C[C@@H]2CCC[C@@H]2C2CC2)CC[NH2+]CC1 ZINC000423173321 296388264 /nfs/dbraw/zinc/38/82/64/296388264.db2.gz XXWUPUBJWCOFHF-BHYGNILZSA-N 2 0 322.493 2.724 20 0 DFADRP COc1ccc([C@@H](Cc2ccncc2)[NH2+]C2CC[NH2+]CC2)cc1 ZINC000423176448 296388652 /nfs/dbraw/zinc/38/86/52/296388652.db2.gz CKBJCKHHOXAPRW-LJQANCHMSA-N 2 0 311.429 2.716 20 0 DFADRP C[C@@H]([NH2+]CCCN1CC[NH2+]CC1)[C@H](C)c1ccc(Cl)cc1 ZINC000423181919 296389269 /nfs/dbraw/zinc/38/92/69/296389269.db2.gz JXNMGMLBGCWDNX-LSDHHAIUSA-N 2 0 309.885 2.717 20 0 DFADRP C[C@H]([NH2+]CCC[NH3+])c1ccc(OC[C@@H]2CCCCO2)c(F)c1 ZINC000423197482 296391685 /nfs/dbraw/zinc/39/16/85/296391685.db2.gz ZOPFZHDOBGHQQP-ZFWWWQNUSA-N 2 0 310.413 2.773 20 0 DFADRP C[C@H]([NH2+]CCN1CC[NH2+]CC1)c1cccc(-c2ccccc2)c1 ZINC000423199749 296391756 /nfs/dbraw/zinc/39/17/56/296391756.db2.gz CLPJIKXROMCPOB-KRWDZBQOSA-N 2 0 309.457 2.909 20 0 DFADRP COc1cccc(N2CC[C@@H](C[NH2+][C@@H]3CC[N@H+](C)[C@@H](C)C3)C2)c1 ZINC000157475001 197190465 /nfs/dbraw/zinc/19/04/65/197190465.db2.gz QLHMAVREELRQGM-YESZJQIVSA-N 2 0 317.477 2.594 20 0 DFADRP C[C@@H]([NH2+][C@@H](C)Cc1cn(C)c2ccc(F)cc12)[C@@H]1CCC[NH2+]1 ZINC000423195920 296391180 /nfs/dbraw/zinc/39/11/80/296391180.db2.gz YMIYUCRRGVFUMC-AHIWAGSCSA-N 2 0 303.425 2.979 20 0 DFADRP C[C@@H](Cc1cn(C)c2ccc(F)cc12)[NH2+][C@@H](C)[C@@H]1CCC[NH2+]1 ZINC000423195921 296391277 /nfs/dbraw/zinc/39/12/77/296391277.db2.gz YMIYUCRRGVFUMC-DCGLDWPTSA-N 2 0 303.425 2.979 20 0 DFADRP C[NH2+]CCC[NH2+][C@@H](C)c1ccc(I)cc1 ZINC000423198253 296391488 /nfs/dbraw/zinc/39/14/88/296391488.db2.gz DWONRLHUJGQYIB-JTQLQIEISA-N 2 0 318.202 2.551 20 0 DFADRP CCc1c2ccccc2oc1[C@H](C)[NH2+]CCN1CC[NH2+]CC1 ZINC000423203190 296392266 /nfs/dbraw/zinc/39/22/66/296392266.db2.gz MKOSJOYYHJVDJY-AWEZNQCLSA-N 2 0 301.434 2.551 20 0 DFADRP COCCOc1ccc([C@H](C)[NH2+][C@@H](C)[C@@H]2CCC[NH2+]C2)cc1 ZINC000423207485 296392467 /nfs/dbraw/zinc/39/24/67/296392467.db2.gz CTEPGBNNPOINBY-YQQAZPJKSA-N 2 0 306.450 2.751 20 0 DFADRP Cc1ccccc1[C@@H]([NH2+]CCN1CC[NH2+]CC1)c1ccccc1 ZINC000423207704 296392590 /nfs/dbraw/zinc/39/25/90/296392590.db2.gz SBTRZKLUFHFWGB-FQEVSTJZSA-N 2 0 309.457 2.579 20 0 DFADRP C[C@H]([NH2+]C[C@@H]1CCC[NH2+]C1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000423211003 296392783 /nfs/dbraw/zinc/39/27/83/296392783.db2.gz KLONVGBYJXMJCF-UONOGXRCSA-N 2 0 316.449 2.621 20 0 DFADRP Cc1ccc([C@H]([NH2+]CCN2CC[NH2+]CC2)c2ccccc2)c(C)c1 ZINC000423211446 296392835 /nfs/dbraw/zinc/39/28/35/296392835.db2.gz YEQKMIAGAZQCLR-OAQYLSRUSA-N 2 0 323.484 2.888 20 0 DFADRP C[C@H]([NH2+]CCN1CC[NH2+]CC1)c1ccc(-c2ccccc2)s1 ZINC000423200846 296391926 /nfs/dbraw/zinc/39/19/26/296391926.db2.gz GQSVETUDZIGJCT-HNNXBMFYSA-N 2 0 315.486 2.971 20 0 DFADRP COc1ccc(C[C@H](C)[NH2+][C@@H](C)[C@H]2CCC[NH2+]C2)c(C)c1OC ZINC000423212350 296393052 /nfs/dbraw/zinc/39/30/52/296393052.db2.gz IFOYKFCNFATPGB-QRTARXTBSA-N 2 0 320.477 2.921 20 0 DFADRP C[C@@H]1[C@@H]([NH2+]C[C@@H]2CCC[NH2+]C2)CCCN1Cc1ccccc1 ZINC000423214301 296393063 /nfs/dbraw/zinc/39/30/63/296393063.db2.gz OPFHOPKDHKHLON-QRQLOZEOSA-N 2 0 301.478 2.629 20 0 DFADRP COCCc1nc(C)c([C@H](C)[NH2+][C@H](C)[C@H]2CCC[NH2+]C2)s1 ZINC000423217284 296393431 /nfs/dbraw/zinc/39/34/31/296393431.db2.gz PWLUQSDIKBCLMH-DYEKYZERSA-N 2 0 311.495 2.679 20 0 DFADRP Fc1ccc(N2CCC([NH2+]C3C[C@H]4CC[C@@H](C3)[NH2+]4)CC2)c(F)c1 ZINC000423219352 296393677 /nfs/dbraw/zinc/39/36/77/296393677.db2.gz WEXWNVWLZSKAEE-XYPWUTKMSA-N 2 0 321.415 2.806 20 0 DFADRP CC(C)[C@H]([NH2+]C[C@H]1CCC[NH2+]C1)c1ccc2[nH]c(=O)oc2c1 ZINC000423219772 296393786 /nfs/dbraw/zinc/39/37/86/296393786.db2.gz XMHSQIAWALOSCL-LRDDRELGSA-N 2 0 303.406 2.820 20 0 DFADRP C[C@@H]([NH2+][C@@H](C)c1cccc(OCC[NH+](C)C)c1)[C@@H]1CCC[NH2+]C1 ZINC000423218072 296393814 /nfs/dbraw/zinc/39/38/14/296393814.db2.gz RHKSFAVRRRKSEU-LZLYRXPVSA-N 3 0 319.493 2.666 20 0 DFADRP CO[C@@H](CN1CCO[C@@H](CCC[NH+](C)C)C1)c1ccc(F)cc1 ZINC000625563561 399588289 /nfs/dbraw/zinc/58/82/89/399588289.db2.gz SZCHENSCTFIJBK-ROUUACIJSA-N 2 0 324.440 2.556 20 0 DFADRP c1ccc(C[N@H+]2CC[C@H](NC[C@@H]3CCC[NH2+]3)[C@@H]3CCC[C@@H]32)cc1 ZINC000423238551 296395893 /nfs/dbraw/zinc/39/58/93/296395893.db2.gz QZSKMFFHIMJTAW-MUGJNUQGSA-N 2 0 313.489 2.771 20 0 DFADRP CC[NH2+]CCN[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000423244030 296396276 /nfs/dbraw/zinc/39/62/76/296396276.db2.gz XCAOAFYLXNLVKG-GUDVDZBRSA-N 2 0 301.478 2.629 20 0 DFADRP CC[C@@H]1[NH2+]CC[C@H]1N[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000629387822 399589748 /nfs/dbraw/zinc/58/97/48/399589748.db2.gz GBFDPBVQMKSKAL-XGXHKWSGSA-N 2 0 301.478 2.770 20 0 DFADRP C[C@H]([NH2+]CC[C@H]1CC[NH2+]C1)c1nc2ccc(Cl)cc2n1C ZINC000423247712 296396958 /nfs/dbraw/zinc/39/69/58/296396958.db2.gz LPMCHYAOCQWGMT-NWDGAFQWSA-N 2 0 306.841 2.877 20 0 DFADRP NC[C@H]([NH2+]C1CCN(Cc2ccccn2)CC1)C1CCCCC1 ZINC000423263809 296398117 /nfs/dbraw/zinc/39/81/17/296398117.db2.gz OZXNPVCTKOBKDO-IBGZPJMESA-N 2 0 316.493 2.543 20 0 DFADRP C[C@@H]([NH2+]CC[C@@H]1CCC[NH2+]C1)c1cnn(Cc2ccccc2)c1 ZINC000423260056 296397547 /nfs/dbraw/zinc/39/75/47/296397547.db2.gz PGZIBGXIIBZSSZ-SJORKVTESA-N 2 0 312.461 2.972 20 0 DFADRP Cc1ccc(-c2ncc(C[NH2+]CCOCCC[NH3+])s2)cc1 ZINC000629400510 399593355 /nfs/dbraw/zinc/59/33/55/399593355.db2.gz ZRAHKIDYTUACID-UHFFFAOYSA-N 2 0 305.447 2.574 20 0 DFADRP COc1cc(C)c(C[C@H](C)[NH2+][C@H]2CCC[C@@H]2C[NH3+])cc1OC ZINC000423270276 296399129 /nfs/dbraw/zinc/39/91/29/296399129.db2.gz IAGDNKYWVCPEIL-LZWOXQAQSA-N 2 0 306.450 2.660 20 0 DFADRP CC(C)[C@@H]([NH3+])CNC1CC[NH+]([C@@H](C)Cc2ccccc2)CC1 ZINC000423271336 296399144 /nfs/dbraw/zinc/39/91/44/296399144.db2.gz IYKRTRWJBZTMAR-LPHOPBHVSA-N 2 0 303.494 2.655 20 0 DFADRP CC(C)C[C@H](C[NH3+])N[C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000423271571 296399281 /nfs/dbraw/zinc/39/92/81/296399281.db2.gz YACNVWXVPXISIF-YTQUADARSA-N 2 0 303.494 2.860 20 0 DFADRP C[NH2+]CCOCC[NH2+]C1CCC(c2ccc(OC)cc2)CC1 ZINC000629404084 399594842 /nfs/dbraw/zinc/59/48/42/399594842.db2.gz JFASLSOYJVTIIE-UHFFFAOYSA-N 2 0 306.450 2.547 20 0 DFADRP CCCC1CCC(C[NH2+]Cc2cn([C@@H]3CC[NH2+]C3)nn2)CC1 ZINC000629407032 399595309 /nfs/dbraw/zinc/59/53/09/399595309.db2.gz VUKFXNQATYZMDL-VMBOVVBDSA-N 2 0 305.470 2.509 20 0 DFADRP CC(C)(C)[C@@H]1CCC[C@@H]([NH2+]Cc2cn([C@@H]3CC[NH2+]C3)nn2)CC1 ZINC000629405745 399595456 /nfs/dbraw/zinc/59/54/56/399595456.db2.gz MJFZFROSVPOWET-BFYDXBDKSA-N 2 0 319.497 2.897 20 0 DFADRP [NH3+]CCCOCC[NH2+]Cc1ccc(Cl)c(C(F)(F)F)c1 ZINC000629399513 399594016 /nfs/dbraw/zinc/59/40/16/399594016.db2.gz SODXTTPIARGQRG-UHFFFAOYSA-N 2 0 310.747 2.814 20 0 DFADRP COc1cc(C)c(C[C@H](C)[NH2+]CC[C@H]2CCC[NH2+]C2)cc1OC ZINC000423285724 296400936 /nfs/dbraw/zinc/40/09/36/296400936.db2.gz ZWJDGDVYVZGMMU-JKSUJKDBSA-N 2 0 320.477 2.923 20 0 DFADRP CCC[NH2+]CCNC1CC[NH+]([C@@H](C)Cc2ccccc2)CC1 ZINC000423307952 296402655 /nfs/dbraw/zinc/40/26/55/296402655.db2.gz IJDUCVKZNHDGAW-KRWDZBQOSA-N 2 0 303.494 2.671 20 0 DFADRP CC[NH+](CC)CCO[C@@H]1CC[N@H+](Cc2cc(C)c(O)c(C)c2)C1 ZINC000347860771 285213679 /nfs/dbraw/zinc/21/36/79/285213679.db2.gz JZKIQNRGSZKIHQ-GOSISDBHSA-N 2 0 320.477 2.942 20 0 DFADRP C[C@H]([NH2+]C[C@]1(C)CCC[NH2+]C1)c1cccc(N2CCCC2=O)c1 ZINC000423320024 296404056 /nfs/dbraw/zinc/40/40/56/296404056.db2.gz DYJKKVGOXKKUHX-HNAYVOBHSA-N 2 0 315.461 2.854 20 0 DFADRP C[C@H]([NH2+]C[C@@]1(C)CCC[NH2+]C1)c1ccc2c(c1)OCCCO2 ZINC000423320515 296404068 /nfs/dbraw/zinc/40/40/68/296404068.db2.gz FJIZFAZIIPDAIP-KSSFIOAISA-N 2 0 304.434 2.888 20 0 DFADRP CC1(C[NH2+][C@@H](c2ccc(F)cc2)c2cnccn2)CC[NH2+]CC1 ZINC000423326522 296404833 /nfs/dbraw/zinc/40/48/33/296404833.db2.gz KRRSVOYVZKYMRX-KRWDZBQOSA-N 2 0 314.408 2.684 20 0 DFADRP C[C@@H](Cc1ccc(F)cc1Br)[NH2+]CCCC[NH3+] ZINC000423327424 296404963 /nfs/dbraw/zinc/40/49/63/296404963.db2.gz NCUKSYIFKJQKEG-JTQLQIEISA-N 2 0 303.219 2.848 20 0 DFADRP C[C@@H]([NH3+])c1ccc(C(=O)NCc2cccc(C[NH+](C)C)c2)cc1 ZINC000423323894 296404560 /nfs/dbraw/zinc/40/45/60/296404560.db2.gz PDEVFGYBISDNCN-CQSZACIVSA-N 2 0 311.429 2.698 20 0 DFADRP C[C@@H](CNC(=O)C(C)(C)[C@H]([NH3+])c1ccccc1)C[NH+]1CCCC1 ZINC000423336317 296406077 /nfs/dbraw/zinc/40/60/77/296406077.db2.gz GRDFMTBCRRHBTF-DOTOQJQBSA-N 2 0 317.477 2.561 20 0 DFADRP CCOC(=O)[C@@H]1CC[C@@H]([NH2+]CC[C@H]2CCC[NH2+]2)c2ccccc21 ZINC000423353872 296407715 /nfs/dbraw/zinc/40/77/15/296407715.db2.gz FBSIQGHJJCOJPK-ZTFGCOKTSA-N 2 0 316.445 2.900 20 0 DFADRP C[C@@H]1C[C@@H](C[NH2+]CC2=CCCOC2)C[N@@H+]1Cc1ccccc1 ZINC000120356140 195149934 /nfs/dbraw/zinc/14/99/34/195149934.db2.gz IBYUHPCGALODIJ-APWZRJJASA-N 2 0 300.446 2.833 20 0 DFADRP OC(C[NH+]1CCC[C@@H]2CCC[C@H]21)C[N@@H+]1CCC[C@H]2CCC[C@@H]21 ZINC000181800992 285231962 /nfs/dbraw/zinc/23/19/62/285231962.db2.gz UKVPWJUNWRTQRK-IAFBMDFESA-N 2 0 306.494 2.876 20 0 DFADRP CCc1ccc([C@H](CC)[NH2+][C@H](C)CN2CC[NH+](C)CC2)cc1 ZINC000154991613 197011461 /nfs/dbraw/zinc/01/14/61/197011461.db2.gz COCKAFXYNDOKAD-APWZRJJASA-N 2 0 303.494 2.926 20 0 DFADRP Cc1cc([C@@H](C)[NH2+]C[C@@H](N2CC[NH2+]CC2)C(F)(F)F)cs1 ZINC000423376150 296410267 /nfs/dbraw/zinc/41/02/67/296410267.db2.gz AQRJTZXHGCQUEA-DGCLKSJQSA-N 2 0 321.412 2.543 20 0 DFADRP C[C@H]1C[NH2+]CC[C@H]1[NH2+]C1CCN(c2ccc(F)cc2F)CC1 ZINC000423387081 296411426 /nfs/dbraw/zinc/41/14/26/296411426.db2.gz HMFAEYLWNOUMNO-BLLLJJGKSA-N 2 0 309.404 2.521 20 0 DFADRP COCC1(C[NH2+][C@@H](CC(C)C)c2ccccn2)CC[NH2+]CC1 ZINC000423395221 296412241 /nfs/dbraw/zinc/41/22/41/296412241.db2.gz ADKWDYMBQPIXGC-KRWDZBQOSA-N 2 0 305.466 2.775 20 0 DFADRP C[C@H](C[NH2+]CCC[NH+]1CCC(O)CC1)c1cc(F)cc(F)c1 ZINC000294684993 224166282 /nfs/dbraw/zinc/16/62/82/224166282.db2.gz AGHQNHCCRZRMSZ-CYBMUJFWSA-N 2 0 312.404 2.505 20 0 DFADRP COCC1(C[NH2+][C@H]2CC(C)(C)Cc3occc32)CC[NH2+]CC1 ZINC000423406303 296413203 /nfs/dbraw/zinc/41/32/03/296413203.db2.gz KLUMQIKRIRFUPE-HNNXBMFYSA-N 2 0 306.450 2.899 20 0 DFADRP CCCN(CCC[NH+](C)C)C(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC000347914952 285242060 /nfs/dbraw/zinc/24/20/60/285242060.db2.gz OFCAJHLVWCNUJI-KRWDZBQOSA-N 2 0 311.514 2.687 20 0 DFADRP COCC1(C[NH2+][C@@H](C)c2cc(F)c(F)c(F)c2)CC[NH2+]CC1 ZINC000423411001 296413867 /nfs/dbraw/zinc/41/38/67/296413867.db2.gz SVYVELDUIUWDNO-NSHDSACASA-N 2 0 316.367 2.771 20 0 DFADRP COCC1(C[NH2+][C@@H]2CCc3c2c(F)ccc3F)CC[NH2+]CC1 ZINC000423413172 296414593 /nfs/dbraw/zinc/41/45/93/296414593.db2.gz YLOHBFPNSYFAKH-OAHLLOKOSA-N 2 0 310.388 2.558 20 0 DFADRP CCCCO[C@@H]1C[C@@H]([NH2+]CC2(COC)CC[NH2+]CC2)C1(C)C ZINC000423413742 296414605 /nfs/dbraw/zinc/41/46/05/296414605.db2.gz ZXBIKNCDCYNNTL-HZPDHXFCSA-N 2 0 312.498 2.576 20 0 DFADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)[C@@H]1CCC[C@H](C)C1 ZINC000357221103 285246760 /nfs/dbraw/zinc/24/67/60/285246760.db2.gz QMJFTFXXQSTSFO-RCCFBDPRSA-N 2 0 323.525 2.687 20 0 DFADRP COc1cccc(C[C@@H]([NH2+][C@@H]2C[C@H]2C2CC[NH2+]CC2)C2CC2)c1 ZINC000423420305 296415092 /nfs/dbraw/zinc/41/50/92/296415092.db2.gz ALBZJBYMNZHBTQ-XUVXKRRUSA-N 2 0 314.473 2.994 20 0 DFADRP COc1cc(NC(C)=O)ccc1[C@@H](C)[NH2+][C@H](C)CCCC[NH3+] ZINC000423427211 296415838 /nfs/dbraw/zinc/41/58/38/296415838.db2.gz IIXFEDSVHJGCJX-CHWSQXEVSA-N 2 0 307.438 2.822 20 0 DFADRP c1ccc([C@H]([NH2+][C@@H]2C[C@H]2C2CC[NH2+]CC2)c2cncnc2)cc1 ZINC000423433364 296416199 /nfs/dbraw/zinc/41/61/99/296416199.db2.gz JQHYSULQOATKHS-OTWHNJEPSA-N 2 0 308.429 2.544 20 0 DFADRP CC(C)CC[NH+]1CCC(CNC(=O)[C@@H]2[NH2+]CCCC2(C)C)CC1 ZINC000423438906 296416641 /nfs/dbraw/zinc/41/66/41/296416641.db2.gz VSNZZKDBXLFFGD-KRWDZBQOSA-N 2 0 323.525 2.639 20 0 DFADRP CC[C@@H](NC[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1)[C@@H]1CCC[NH2+]1 ZINC000423460423 296418354 /nfs/dbraw/zinc/41/83/54/296418354.db2.gz BDHDNKHKCCRRJN-AITUJVMLSA-N 2 0 319.468 2.639 20 0 DFADRP C[C@H](CCC[NH3+])[NH2+][C@H](C)c1ccc(OCc2nccn2C)cc1 ZINC000423454669 296417792 /nfs/dbraw/zinc/41/77/92/296417792.db2.gz LVZXUTXAFSOSGU-HUUCEWRRSA-N 2 0 316.449 2.777 20 0 DFADRP C[C@H]([NH2+]C[C@@H]1C[NH2+]CCCO1)C1CCC(C(F)(F)F)CC1 ZINC000423490887 296421507 /nfs/dbraw/zinc/42/15/07/296421507.db2.gz ISPHSSAZKWOQSV-ABXWRUBCSA-N 2 0 308.388 2.712 20 0 DFADRP C[C@H]([NH2+][C@H]1CC[C@@H](C[NH3+])C1)c1ncc(Br)s1 ZINC000423492247 296421632 /nfs/dbraw/zinc/42/16/32/296421632.db2.gz MIHLKXXPKGXSJW-YIZRAAEISA-N 2 0 304.257 2.684 20 0 DFADRP COc1ccc([C@H](C)[C@H](C)[NH2+][C@H]2CC[C@@H](C[NH3+])C2)cc1OC ZINC000423510733 296424322 /nfs/dbraw/zinc/42/43/22/296424322.db2.gz PTPYQDRCMOEQHS-CTASWTNQSA-N 2 0 306.450 2.913 20 0 DFADRP COC(=O)C[C@H]([NH2+]CC[C@H]1CCCC[N@@H+]1C)C1CCCCC1 ZINC000347953304 285266953 /nfs/dbraw/zinc/26/69/53/285266953.db2.gz GALXKZIVLGJXDK-SJORKVTESA-N 2 0 310.482 2.962 20 0 DFADRP C[C@@H]1C[C@H]([NH2+]CC2(N)CC[NH+](Cc3ccccc3)CC2)[C@H]1C ZINC000423517666 296425424 /nfs/dbraw/zinc/42/54/24/296425424.db2.gz BSPIGDJFTIWSCP-RYRKJORJSA-N 2 0 301.478 2.614 20 0 DFADRP Cn1ccc([C@@H]([NH2+]CCC2=CC[NH2+]CC2)c2ccc(F)cc2)n1 ZINC000423535024 296427523 /nfs/dbraw/zinc/42/75/23/296427523.db2.gz BOZRCMUABGJYMY-SFHVURJKSA-N 2 0 314.408 2.548 20 0 DFADRP C[C@H](CCc1ccc2c(c1)OCO2)[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000423538520 296427925 /nfs/dbraw/zinc/42/79/25/296427925.db2.gz GNZYFGDUZBPPIC-XLNGHYISSA-N 2 0 316.445 2.714 20 0 DFADRP COc1ccc([C@H](C)[NH2+]CCC2=CC[NH2+]CC2)c(C)c1OC ZINC000423537641 296427932 /nfs/dbraw/zinc/42/79/32/296427932.db2.gz KKJOORWRAHVPSD-AWEZNQCLSA-N 2 0 304.434 2.973 20 0 DFADRP COc1cccc(C[C@H]([NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)C2CC2)c1 ZINC000423556305 296429334 /nfs/dbraw/zinc/42/93/34/296429334.db2.gz YXCFCKLTKZHLKD-XFKSJGNHSA-N 2 0 314.473 2.994 20 0 DFADRP C[C@H]([NH2+]Cc1ccc[nH]c1=O)c1ccc(OCC[NH+](C)C)cc1 ZINC000624258391 399617297 /nfs/dbraw/zinc/61/72/97/399617297.db2.gz IQNSECFSPWKCAL-AWEZNQCLSA-N 2 0 315.417 2.578 20 0 DFADRP Cc1c([C@H](C)[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)cnn1C(C)(C)C ZINC000423541381 296428193 /nfs/dbraw/zinc/42/81/93/296428193.db2.gz KRWKTYKYUVFMTG-QCEMKRCNSA-N 2 0 304.482 2.985 20 0 DFADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)[C@H](C)CC(C)C ZINC000361213551 285280653 /nfs/dbraw/zinc/28/06/53/285280653.db2.gz QWLCYTPHUOYVFZ-SJORKVTESA-N 2 0 311.514 2.543 20 0 DFADRP Cc1cc([C@H](C)[NH2+]C[C@H](C)CN2CC[NH+](C)CC2)c(C)s1 ZINC000120823471 195244621 /nfs/dbraw/zinc/24/46/21/195244621.db2.gz UPECJOYMJGWHRO-ZFWWWQNUSA-N 2 0 309.523 2.899 20 0 DFADRP Cc1cnccc1NC(=O)N(CC[NH+](C)C)Cc1ccco1 ZINC000120825617 195245114 /nfs/dbraw/zinc/24/51/14/195245114.db2.gz GAXLKAXAIVEDPW-UHFFFAOYSA-N 2 0 302.378 2.579 20 0 DFADRP CC[C@@H]1CC[C@H]1[NH2+]CC1(N)CC[NH+](Cc2ccccc2)CC1 ZINC000423570141 296429992 /nfs/dbraw/zinc/42/99/92/296429992.db2.gz NEWIQIFUYUNJOE-QZTJIDSGSA-N 2 0 301.478 2.758 20 0 DFADRP CC[NH+](CC)Cc1ccc(C(=O)NC[C@H]2CCC[N@H+](CC)C2)o1 ZINC000624263980 399620228 /nfs/dbraw/zinc/62/02/28/399620228.db2.gz PBCCOGRFPBYENU-OAHLLOKOSA-N 2 0 321.465 2.583 20 0 DFADRP Cc1ccc(C[N@@H+](C)CCN(C)C2CC[NH+](C)CC2)c(C)c1 ZINC000289500633 221021899 /nfs/dbraw/zinc/02/18/99/221021899.db2.gz SUYUGMLTVPZYFZ-UHFFFAOYSA-N 2 0 303.494 2.761 20 0 DFADRP CN(CC[N@H+](C)C/C=C/c1ccc(F)cc1)C1CC[NH+](C)CC1 ZINC000289525836 221040651 /nfs/dbraw/zinc/04/06/51/221040651.db2.gz VTWIROAUKPUADF-SNAWJCMRSA-N 2 0 319.468 2.797 20 0 DFADRP Cc1cccc(C[N@@H+](C)CCN(C)C2CC[NH+](C)CC2)c1C ZINC000289552760 221060579 /nfs/dbraw/zinc/06/05/79/221060579.db2.gz XVBGBVKSSCFZIF-UHFFFAOYSA-N 2 0 303.494 2.761 20 0 DFADRP O[C@@H](C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1)C1CCCCC1 ZINC000190916649 285303789 /nfs/dbraw/zinc/30/37/89/285303789.db2.gz UQRPKKHJUQYTDG-QRQLOZEOSA-N 2 0 306.494 2.876 20 0 DFADRP C[C@H]([NH2+]C[C@](C)(O)C1CC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000348039490 285311310 /nfs/dbraw/zinc/31/13/10/285311310.db2.gz MEOMMUGRVZMOIV-IEZWGBDMSA-N 2 0 302.462 2.648 20 0 DFADRP C[C@H]([NH2+]C[C@@](C)(O)C1CC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000348039492 285311558 /nfs/dbraw/zinc/31/15/58/285311558.db2.gz MEOMMUGRVZMOIV-KVSKMBFKSA-N 2 0 302.462 2.648 20 0 DFADRP CC(C)CC[C@H](CO)[NH2+][C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000629525191 399635020 /nfs/dbraw/zinc/63/50/20/399635020.db2.gz WOUUPNSZFNDSQY-AYBZRNKSSA-N 2 0 318.461 2.629 20 0 DFADRP CC(C)CC[C@H](CO)[NH2+][C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000629525196 399635569 /nfs/dbraw/zinc/63/55/69/399635569.db2.gz WOUUPNSZFNDSQY-HHXXYDBFSA-N 2 0 318.461 2.629 20 0 DFADRP C[C@@H]([NH2+]CC1([NH3+])CCOCC1)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000629522024 399635712 /nfs/dbraw/zinc/63/57/12/399635712.db2.gz VKIMRVCNWRGSJI-GRYCIOLGSA-N 2 0 314.882 2.991 20 0 DFADRP C[NH2+]CCOCC[NH2+][C@@H](C)c1ccc(OC)c2ccccc21 ZINC000629528481 399636480 /nfs/dbraw/zinc/63/64/80/399636480.db2.gz ABPOFGHWHNCNBL-AWEZNQCLSA-N 2 0 302.418 2.735 20 0 DFADRP CC[C@@H]([NH2+]CCOCCC[NH3+])c1ccc(Br)cc1 ZINC000629535686 399638724 /nfs/dbraw/zinc/63/87/24/399638724.db2.gz CYKKENUETFXIDQ-CQSZACIVSA-N 2 0 315.255 2.855 20 0 DFADRP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCC[N@H+](Cc3cc(O)ccc3Cl)C2)C1 ZINC000629534886 399639118 /nfs/dbraw/zinc/63/91/18/399639118.db2.gz BQPZQADKEGYXDL-MRRJBJDNSA-N 2 0 324.852 2.764 20 0 DFADRP C[C@H]([NH2+]CCOCCC[NH3+])c1sccc1Br ZINC000629536134 399639022 /nfs/dbraw/zinc/63/90/22/399639022.db2.gz FSLXHWWLAQZLGG-VIFPVBQESA-N 2 0 307.257 2.527 20 0 DFADRP CCOc1cccc2cc([C@@H](C)[NH2+]CCOCCC[NH3+])oc21 ZINC000629540566 399640673 /nfs/dbraw/zinc/64/06/73/399640673.db2.gz VXDRKJAVDLJGBW-CYBMUJFWSA-N 2 0 306.406 2.848 20 0 DFADRP CC[C@@H]1[NH2+]CC[C@H]1C(=O)Nc1cccc(C[NH+](CC)CC)c1 ZINC000290033334 221391919 /nfs/dbraw/zinc/39/19/19/221391919.db2.gz RYWUOLXITCUBGK-SJORKVTESA-N 2 0 303.450 2.855 20 0 DFADRP Cc1nc(-c2cccnc2)sc1[C@@H](C)[NH2+]CCOCCC[NH3+] ZINC000629541483 399641610 /nfs/dbraw/zinc/64/16/10/399641610.db2.gz PGQSYOHEYBIXPV-GFCCVEGCSA-N 2 0 320.462 2.530 20 0 DFADRP CC(C)[C@H](C[NH2+]C[C@H](O)C[NH+]1CCCC1)Cc1ccccc1 ZINC000629576634 399653352 /nfs/dbraw/zinc/65/33/52/399653352.db2.gz NVHPMRAAIIBUNI-OALUTQOASA-N 2 0 304.478 2.548 20 0 DFADRP O[C@H](C[NH2+]CC1(Cc2cccc(Cl)c2)CC1)C[NH+]1CCCC1 ZINC000629580028 399653621 /nfs/dbraw/zinc/65/36/21/399653621.db2.gz KTLYXKIWAKDQLJ-QGZVFWFLSA-N 2 0 322.880 2.709 20 0 DFADRP CC(C)[C@@H]1C[C@@H](C[NH2+]C[C@@H](O)C[NH+]2CCCC2)c2ccccc21 ZINC000629578347 399654083 /nfs/dbraw/zinc/65/40/83/399654083.db2.gz AWPGKMQSVNKCRP-QKLQHJQFSA-N 2 0 316.489 2.960 20 0 DFADRP c1ccc(SCC[NH+]2CCC(CO[C@@H]3CC[NH2+]C3)CC2)cc1 ZINC000629590450 399657959 /nfs/dbraw/zinc/65/79/59/399657959.db2.gz AXWNLCLAKCTPCK-QGZVFWFLSA-N 2 0 320.502 2.869 20 0 DFADRP c1c(C[NH2+]C2CCC3(CCCCC3)CC2)nnn1[C@H]1CC[NH2+]C1 ZINC000629549595 399643668 /nfs/dbraw/zinc/64/36/68/399643668.db2.gz KEGVJNWMCZKLAD-KRWDZBQOSA-N 2 0 317.481 2.795 20 0 DFADRP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+][C@H]1CCN(c2ccc(Cl)cc2F)C1 ZINC000629547016 399643957 /nfs/dbraw/zinc/64/39/57/399643957.db2.gz RNXMENKFQLJPSE-WHOFXGATSA-N 2 0 311.832 2.775 20 0 DFADRP Fc1ccc([C@@H]2CCC[N@H+](C[C@@H]3CCC4(C[NH2+]C4)O3)C2)cc1F ZINC000629552068 399645402 /nfs/dbraw/zinc/64/54/02/399645402.db2.gz ZPRVYHZYLASUSB-CABCVRRESA-N 2 0 322.399 2.665 20 0 DFADRP C[C@H]([NH3+])[C@@H]1COCC[C@H]1[NH2+]Cc1ccccc1CC(F)(F)F ZINC000629555294 399646411 /nfs/dbraw/zinc/64/64/11/399646411.db2.gz UKICLNMAPVUUPR-TUKIKUTGSA-N 2 0 316.367 2.633 20 0 DFADRP C[C@H]([NH3+])[C@H]1COCC[C@H]1[NH2+]CCc1c[nH]c2c1cccc2Cl ZINC000629556503 399648313 /nfs/dbraw/zinc/64/83/13/399648313.db2.gz RAZUDFLRQPVIIO-SGIREYDYSA-N 2 0 321.852 2.706 20 0 DFADRP C[NH2+]CCOCCN(C)[C@H](C)c1ccccc1Br ZINC000629572193 399652539 /nfs/dbraw/zinc/65/25/39/399652539.db2.gz XPRBDVOYFGJBBY-GFCCVEGCSA-N 2 0 315.255 2.678 20 0 DFADRP [NH3+]C[C@H]1CN(CCOc2ccccc2)CC[C@H]1C(F)(F)F ZINC000629566157 399652598 /nfs/dbraw/zinc/65/25/98/399652598.db2.gz MKGWEZQTLNFYIL-GXTWGEPZSA-N 2 0 302.340 2.525 20 0 DFADRP C[NH2+]CCOCC[N@H+](C)Cc1cnc(-c2ccc(C)cc2)s1 ZINC000629655460 399677669 /nfs/dbraw/zinc/67/76/69/399677669.db2.gz XDRTVCFBMJTPDW-UHFFFAOYSA-N 2 0 319.474 2.786 20 0 DFADRP c1nc(C2CC2)c(C[NH+]2CCC(CO[C@H]3CC[NH2+]C3)CC2)s1 ZINC000629673540 399685314 /nfs/dbraw/zinc/68/53/14/399685314.db2.gz UKQQHAIQUVWFKZ-HNNXBMFYSA-N 2 0 321.490 2.611 20 0 DFADRP COC(=O)c1ccc(C[N@H+](C)CCCC[NH+]2CCCCC2)nc1 ZINC000603122468 399687805 /nfs/dbraw/zinc/68/78/05/399687805.db2.gz WRVSFAAPUNJPJH-UHFFFAOYSA-N 2 0 319.449 2.566 20 0 DFADRP C[NH2+]CCOCC[N@H+](C)Cc1ccc2cc(OC)ccc2c1 ZINC000629652179 399676300 /nfs/dbraw/zinc/67/63/00/399676300.db2.gz CCDUGORTLSLGFJ-UHFFFAOYSA-N 2 0 302.418 2.516 20 0 DFADRP Cn1ccnc1C[N@H+](CCc1ccccc1)[C@H]1CC12CC[NH2+]CC2 ZINC000262156555 257256799 /nfs/dbraw/zinc/25/67/99/257256799.db2.gz RYNUWPMGZGANTP-SFHVURJKSA-N 2 0 324.472 2.607 20 0 DFADRP CC[NH+](CC)Cc1ccc(C(=O)N2CC[NH2+][C@H](C(C)C)C2)cc1 ZINC000621150773 399698372 /nfs/dbraw/zinc/69/83/72/399698372.db2.gz MVKHCNPIOSSTMO-SFHVURJKSA-N 2 0 317.477 2.598 20 0 DFADRP C[NH2+]CCc1cccc(-c2ccccc2C[NH+]2CCN(C)CC2)c1 ZINC000629735686 399707390 /nfs/dbraw/zinc/70/73/90/399707390.db2.gz CXJKUFPLERYLPE-UHFFFAOYSA-N 2 0 323.484 2.863 20 0 DFADRP C[C@@H]([NH3+])c1ccc(-c2ccc(C[C@H](C[NH3+])CO)cc2)cc1F ZINC000629737010 399708671 /nfs/dbraw/zinc/70/86/71/399708671.db2.gz CGACIYQIDYBTQH-TZMCWYRMSA-N 2 0 302.393 2.622 20 0 DFADRP C[C@@H]([NH3+])c1ccc(-c2ccc(C[C@@H](C[NH3+])CO)cc2)cc1F ZINC000629737009 399708815 /nfs/dbraw/zinc/70/88/15/399708815.db2.gz CGACIYQIDYBTQH-OCCSQVGLSA-N 2 0 302.393 2.622 20 0 DFADRP C[NH+](C)CCNC(=O)c1cccc(C[NH2+][C@@H]2CCC(C)(C)C2)c1 ZINC000294958228 224338684 /nfs/dbraw/zinc/33/86/84/224338684.db2.gz FSURDUQFUZZFMI-QGZVFWFLSA-N 2 0 317.477 2.646 20 0 DFADRP C[C@H]([NH2+]CCNc1ccc2ccccc2n1)C1CC[NH+](C)CC1 ZINC000090229779 542535349 /nfs/dbraw/zinc/53/53/49/542535349.db2.gz FFRWGKFUMQVFSL-HNNXBMFYSA-N 2 0 312.461 2.967 20 0 DFADRP COC1(C[NH2+]C2CC[NH+]([C@@H]3CCCC[C@@H]3C)CC2)CCOCC1 ZINC000090650854 542537867 /nfs/dbraw/zinc/53/78/67/542537867.db2.gz DNVNYMCDDUCCIK-FUHWJXTLSA-N 2 0 324.509 2.815 20 0 DFADRP CC(C)[N@@H+](Cc1ccc(OCC[NH+]2CCCC2)cc1)C[C@@H](C)O ZINC000093145668 542552865 /nfs/dbraw/zinc/55/28/65/542552865.db2.gz MVAQAVVRKMTKPW-QGZVFWFLSA-N 2 0 320.477 2.752 20 0 DFADRP CC(C)C[C@@H]1COCC[N@@H+]1Cc1ccc(OCC[NH+](C)C)cc1 ZINC000093340042 542553961 /nfs/dbraw/zinc/55/39/61/542553961.db2.gz SIZJAGCZDHBCJN-GOSISDBHSA-N 2 0 320.477 2.874 20 0 DFADRP CC(C)C[NH+]1CCC([NH2+][C@@H]2CCO[C@H](C(F)(F)F)C2)CC1 ZINC000348082836 285335315 /nfs/dbraw/zinc/33/53/15/285335315.db2.gz LZFWFSUNFJDMCG-KGLIPLIRSA-N 2 0 308.388 2.806 20 0 DFADRP CCC[NH+]1CCC([NH2+][C@@H](C)c2cccc(-n3ccnn3)c2)CC1 ZINC000348085776 285336921 /nfs/dbraw/zinc/33/69/21/285336921.db2.gz MXISVAADMVMYCL-HNNXBMFYSA-N 2 0 313.449 2.792 20 0 DFADRP FC(F)(F)[C@H]1C[C@@H]([NH2+]C2CC[NH+](C3CCC3)CC2)CCO1 ZINC000348088314 285338419 /nfs/dbraw/zinc/33/84/19/285338419.db2.gz SAJRTAUBCXHAPU-GXTWGEPZSA-N 2 0 306.372 2.703 20 0 DFADRP C[N@@H+]1CCCN(CCC[NH2+]Cc2cc(Cl)ccc2F)CC1 ZINC000119096088 542570747 /nfs/dbraw/zinc/57/07/47/542570747.db2.gz OUDNGOHVTZNPIM-UHFFFAOYSA-N 2 0 313.848 2.596 20 0 DFADRP Cc1nc2ccccc2n1CC[NH2+][C@@H](C)C1CC[NH+](C)CC1 ZINC000119253163 542571487 /nfs/dbraw/zinc/57/14/87/542571487.db2.gz SVESDFKEKCWCGB-AWEZNQCLSA-N 2 0 300.450 2.665 20 0 DFADRP O[C@H](C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1)C1CCCCC1 ZINC000249128960 285353600 /nfs/dbraw/zinc/35/36/00/285353600.db2.gz UQRPKKHJUQYTDG-QXAKKESOSA-N 2 0 306.494 2.876 20 0 DFADRP CCCC[N@H+](C)CC1CC[NH+](CC(=O)N2CCC[C@@H](C)C2)CC1 ZINC000052208894 425884122 /nfs/dbraw/zinc/88/41/22/425884122.db2.gz MZIITSWELPZXTK-QGZVFWFLSA-N 2 0 323.525 2.689 20 0 DFADRP Cc1ccc([C@H](C)[NH2+]C[C@@H](C)CN2CC[NH+](C)CC2)c(C)c1 ZINC000120993634 195277272 /nfs/dbraw/zinc/27/72/72/195277272.db2.gz ILRPQZXNTGGKHX-AEFFLSMTSA-N 2 0 303.494 2.838 20 0 DFADRP C[C@H](C[NH2+][C@@H]1CCCCc2ccccc21)CN1CC[NH+](C)CC1 ZINC000121018325 195280836 /nfs/dbraw/zinc/28/08/36/195280836.db2.gz LFVSFZMOFARDSD-YLJYHZDGSA-N 2 0 315.505 2.927 20 0 DFADRP C[C@@H](C(=O)NCC(C)(C)[NH+]1CCCCC1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000121913122 195373079 /nfs/dbraw/zinc/37/30/79/195373079.db2.gz YGZBOKXTWWVPAX-XHSDSOJGSA-N 2 0 309.498 2.628 20 0 DFADRP CCCC[N@H+](C)CC1CC[NH+](C[C@@H](O)COC(C)(C)C)CC1 ZINC000052209218 425884145 /nfs/dbraw/zinc/88/41/45/425884145.db2.gz VCBLGOQZEPPEJJ-QGZVFWFLSA-N 2 0 314.514 2.606 20 0 DFADRP C[N@@H+]1CCC[C@H]1CC[NH+]1CC[C@](O)(Cc2cccc(Cl)c2)C1 ZINC000348130119 285370071 /nfs/dbraw/zinc/37/00/71/285370071.db2.gz UUOKTRMAAVIWBH-ROUUACIJSA-N 2 0 322.880 2.804 20 0 DFADRP CCC[C@H]([NH2+]C[C@@H](C)N1CC[NH+](C)CC1)c1ccc(OC)cc1 ZINC000127373197 195870569 /nfs/dbraw/zinc/87/05/69/195870569.db2.gz APUCUEAGBSLWLT-APWZRJJASA-N 2 0 319.493 2.762 20 0 DFADRP CC[C@H](C)NC(=O)[C@H](C)[N@H+](CC)Cc1ccc(C[NH+](C)C)cc1 ZINC000626062350 399741473 /nfs/dbraw/zinc/74/14/73/399741473.db2.gz PIOVLBMTMQSCMD-HOTGVXAUSA-N 2 0 319.493 2.873 20 0 DFADRP CC[C@H](C)NC(=O)[C@@H](C)[N@H+](CC)Cc1ccc(C[NH+](C)C)cc1 ZINC000626062352 399741130 /nfs/dbraw/zinc/74/11/30/399741130.db2.gz PIOVLBMTMQSCMD-JKSUJKDBSA-N 2 0 319.493 2.873 20 0 DFADRP COC[C@H]([NH2+]C1CC[NH+]([C@@H]2CCCC[C@H]2C)CC1)[C@H]1CCCO1 ZINC000370533074 285397056 /nfs/dbraw/zinc/39/70/56/285397056.db2.gz IKRYPXQIMJFRMS-QXCFHYIPSA-N 2 0 324.509 2.813 20 0 DFADRP CCCC[N@H+](C)CC1CC[NH+](Cc2cccc(C(N)=O)c2)CC1 ZINC000052209304 425884171 /nfs/dbraw/zinc/88/41/71/425884171.db2.gz PHLVFWLYVCKBKK-UHFFFAOYSA-N 2 0 317.477 2.729 20 0 DFADRP COc1ccc2cc(C[NH2+]CCOCC[NH+](C)C)ccc2c1 ZINC000318919520 533330108 /nfs/dbraw/zinc/33/01/08/533330108.db2.gz XGIXFNPZJRYOHJ-UHFFFAOYSA-N 2 0 302.418 2.516 20 0 DFADRP C[C@@H]([NH2+][C@@H]1CCOC1(C)C)c1ccc(OCC[NH+](C)C)cc1 ZINC000296654700 533524366 /nfs/dbraw/zinc/52/43/66/533524366.db2.gz ZEFFHVNVGFXLLJ-RHSMWYFYSA-N 2 0 306.450 2.845 20 0 DFADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+][C@H]2CCc3ccc(F)cc32)CC1 ZINC000121265654 542583189 /nfs/dbraw/zinc/58/31/89/542583189.db2.gz PRBXPCCCTQNXEI-KXBFYZLASA-N 2 0 319.468 2.676 20 0 DFADRP OC(C[NH+]1CCCC2(CC2)CC1)C[N@@H+]1CCCC2(CC2)CC1 ZINC000626114744 399759005 /nfs/dbraw/zinc/75/90/05/399759005.db2.gz QVFNTCDDWRYRLB-UHFFFAOYSA-N 2 0 306.494 2.880 20 0 DFADRP CC(C)[N@H+](C)Cc1ccccc1CNC(=O)C[NH+](C)C1CCC1 ZINC000629948652 399764525 /nfs/dbraw/zinc/76/45/25/399764525.db2.gz KVWCGAQOTIBCOC-UHFFFAOYSA-N 2 0 317.477 2.627 20 0 DFADRP C[N@H+](CC(=O)N1CCC[C@H](C[NH+]2CCCCCC2)C1)C1CCC1 ZINC000629958932 399769006 /nfs/dbraw/zinc/76/90/06/399769006.db2.gz XSHCILDECUCPAO-QGZVFWFLSA-N 2 0 321.509 2.585 20 0 DFADRP C[C@@H]([NH2+]CCc1cnn(-c2ccccc2)c1)C1CC[NH+](C)CC1 ZINC000130436510 542630808 /nfs/dbraw/zinc/63/08/08/542630808.db2.gz RGKYJYSQNMKQBA-MRXNPFEDSA-N 2 0 312.461 2.735 20 0 DFADRP CC[NH+](CC)Cc1ccc(NC(=O)C[N@H+](C)C2CCC2)cc1 ZINC000629985227 399781967 /nfs/dbraw/zinc/78/19/67/399781967.db2.gz VFJZHZZAPRLERH-UHFFFAOYSA-N 2 0 303.450 2.951 20 0 DFADRP CCCC[N@H+](C)CC1CC[NH+](CC(=O)N2CCCCCC2)CC1 ZINC000052208624 425884196 /nfs/dbraw/zinc/88/41/96/425884196.db2.gz OMULNUMHBSQPFV-UHFFFAOYSA-N 2 0 323.525 2.833 20 0 DFADRP CC[NH+](CC)[C@H](C(=O)N1CC[C@@H](C)[C@@H](C[NH3+])C1)c1ccccc1 ZINC000424003028 296473758 /nfs/dbraw/zinc/47/37/58/296473758.db2.gz QYKBSBZHWWCMQA-NJAFHUGGSA-N 2 0 317.477 2.513 20 0 DFADRP C[C@H]([NH2+]C[C@H]1CCN(c2ccccc2)C1)C1CC[NH+](C)CC1 ZINC000152582942 542677976 /nfs/dbraw/zinc/67/79/76/542677976.db2.gz KNPXEOSDCYRJTE-DLBZAZTESA-N 2 0 301.478 2.833 20 0 DFADRP C[C@@H]([NH2+]C[C@H]1CCN(c2ccccc2)C1)C1CC[NH+](C)CC1 ZINC000152583044 542678080 /nfs/dbraw/zinc/67/80/80/542678080.db2.gz KNPXEOSDCYRJTE-IAGOWNOFSA-N 2 0 301.478 2.833 20 0 DFADRP C[C@H](NC(=O)CC[C@@H]([NH3+])CC1CCCCC1)[C@@H]1CCC[NH2+]C1 ZINC000424060692 296481476 /nfs/dbraw/zinc/48/14/76/296481476.db2.gz QPQBVAIICFYNLJ-USXIJHARSA-N 2 0 309.498 2.569 20 0 DFADRP C[NH2+]C[C@@H]1CCCN(C(=O)CC[C@H]([NH3+])CC2CCCCC2)C1 ZINC000424064301 296481762 /nfs/dbraw/zinc/48/17/62/296481762.db2.gz YWXKVNVIWPWIII-IRXDYDNUSA-N 2 0 309.498 2.522 20 0 DFADRP CC[N@H+](Cc1ccc(C(=O)NCC2([NH2+]C)CCC2)cc1)C(C)C ZINC000630000672 399788028 /nfs/dbraw/zinc/78/80/28/399788028.db2.gz ORVBCQUHPSXWCX-UHFFFAOYSA-N 2 0 317.477 2.789 20 0 DFADRP CC(C)[C@@H]([NH3+])CCN(C)C(=O)CC[C@H]([NH3+])CC1CCCCC1 ZINC000424077109 296483502 /nfs/dbraw/zinc/48/35/02/296483502.db2.gz NOFKGJOGILBZNB-IRXDYDNUSA-N 2 0 311.514 2.896 20 0 DFADRP C[C@H]([NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccc(-n2cncn2)cc1 ZINC000161651659 542731887 /nfs/dbraw/zinc/73/18/87/542731887.db2.gz WFNISPQJNPHNNJ-YXJHDRRASA-N 2 0 311.433 2.545 20 0 DFADRP CSC1(C[NH2+][C@H](C)CC2CCOCC2)CC[NH+](C)CC1 ZINC000353626751 132135220 /nfs/dbraw/zinc/13/52/20/132135220.db2.gz UTMXMNURTREHGR-CQSZACIVSA-N 2 0 300.512 2.609 20 0 DFADRP CSC1(C[NH2+][C@@H](C)c2cccc(CO)c2)CC[NH+](C)CC1 ZINC000353629055 132137609 /nfs/dbraw/zinc/13/76/09/132137609.db2.gz XPNPCTKGXAKXPU-AWEZNQCLSA-N 2 0 308.491 2.657 20 0 DFADRP CC(C)C[C@@](C)(C[NH3+])NC(=O)CC[C@@H]([NH3+])CC1CCCCC1 ZINC000424083278 296484134 /nfs/dbraw/zinc/48/41/34/296484134.db2.gz XAINFWPJWWGXIJ-AEFFLSMTSA-N 2 0 311.514 2.944 20 0 DFADRP C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CN[C@@H]2CC[NH+]3CCC[C@@H]3C2)C1 ZINC000166272855 542750657 /nfs/dbraw/zinc/75/06/57/542750657.db2.gz ATKHWVGTAWTYKW-XMTFNYHQSA-N 3 0 307.526 2.959 20 0 DFADRP c1ccc(C[NH+]2CCC[C@@H]2CN[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000166614343 542751309 /nfs/dbraw/zinc/75/13/09/542751309.db2.gz YUTWNLHHIUMKSL-VAMGGRTRSA-N 2 0 313.489 2.867 20 0 DFADRP Cc1ccc([C@H](CN[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)[NH+](C)C)cc1 ZINC000166379052 542751804 /nfs/dbraw/zinc/75/18/04/542751804.db2.gz XQDDZUUQCGYJLC-QRVBRYPASA-N 2 0 301.478 2.814 20 0 DFADRP C[C@H](C[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1)N1CCc2ccccc2C1 ZINC000166348471 542752098 /nfs/dbraw/zinc/75/20/98/542752098.db2.gz WKAFWRKEDBBEJF-NSISKUIASA-N 2 0 313.489 2.650 20 0 DFADRP COCCOc1cc(C)ccc1CN[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000166820025 542752956 /nfs/dbraw/zinc/75/29/56/542752956.db2.gz QDSUIBNKQLDWAY-ZWKOTPCHSA-N 2 0 318.461 2.737 20 0 DFADRP CC(C)[NH2+]CCC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000167541159 542753287 /nfs/dbraw/zinc/75/32/87/542753287.db2.gz LWFQCDFMOTZHNJ-SJLPKXTDSA-N 2 0 317.477 2.544 20 0 DFADRP CCC(CC)(CNC(=O)[C@@H](C)C[NH2+]C)[NH2+][C@H](C)c1ccccc1 ZINC000168759916 542754302 /nfs/dbraw/zinc/75/43/02/542754302.db2.gz SWTOTNGZKYZYEA-JKSUJKDBSA-N 2 0 319.493 2.868 20 0 DFADRP CCOc1cc(C[NH2+][C@@H](C)C2CC[NH+](C)CC2)ccc1OC ZINC000168856648 542755023 /nfs/dbraw/zinc/75/50/23/542755023.db2.gz MKOHYDVZWFPUNB-AWEZNQCLSA-N 2 0 306.450 2.914 20 0 DFADRP CC[C@H](C(=O)N[C@H](C)[C@H](c1ccccc1)[NH+](C)C)[NH+](CC)CC ZINC000348451758 285550301 /nfs/dbraw/zinc/55/03/01/285550301.db2.gz FSAAUGUTZIDGLJ-KBAYOESNSA-N 2 0 319.493 2.914 20 0 DFADRP C[C@@H]1C[C@H](C)N(C(=O)CC[C@H]([NH3+])CC2CCCCC2)C[C@H]1C[NH3+] ZINC000424201801 296492681 /nfs/dbraw/zinc/49/26/81/296492681.db2.gz OWJFTIQPJSGRMA-ATLSCFEFSA-N 2 0 323.525 2.896 20 0 DFADRP COCCn1c2ccccc2nc1NCc1cnc2ccccn12 ZINC000185845432 542813183 /nfs/dbraw/zinc/81/31/83/542813183.db2.gz LRWXIAUIRRZYMR-UHFFFAOYSA-N 2 0 321.384 2.943 20 0 DFADRP c1nc2ccccn2c1C[NH2+]C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000192924602 542854617 /nfs/dbraw/zinc/85/46/17/542854617.db2.gz SAYJZYSZGDMNGK-GOSISDBHSA-N 2 0 320.440 2.946 20 0 DFADRP CCOC(=O)CN1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000197950960 542866076 /nfs/dbraw/zinc/86/60/76/542866076.db2.gz BKEILOGXXPUDMG-UHFFFAOYSA-N 2 0 316.445 2.538 20 0 DFADRP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CC[C@@H]([NH3+])c1ccccc1 ZINC000236848600 542898442 /nfs/dbraw/zinc/89/84/42/542898442.db2.gz YIRSGLTVQPZIJL-FGTMMUONSA-N 2 0 315.461 2.552 20 0 DFADRP CC[NH+](CC)C[C@@H]1CCN(C(=O)CC[C@@H]([NH3+])c2ccccc2)C1 ZINC000236900207 542898631 /nfs/dbraw/zinc/89/86/31/542898631.db2.gz KSGBVYSQAWGCSC-FUHWJXTLSA-N 2 0 317.477 2.657 20 0 DFADRP C[C@H](CC(=O)NC[C@H](C1CCCCC1)[NH+](C)C)C1CC[NH2+]CC1 ZINC000237652838 542904579 /nfs/dbraw/zinc/90/45/79/542904579.db2.gz HJMATRSCSQQHII-CRAIPNDOSA-N 2 0 323.525 2.639 20 0 DFADRP C[NH+](C)CCOCC[NH2+][C@H](Cc1ccncc1)c1cccs1 ZINC000424285068 296498747 /nfs/dbraw/zinc/49/87/47/296498747.db2.gz UEJXASZHCSKHJC-MRXNPFEDSA-N 2 0 319.474 2.595 20 0 DFADRP CC1(C)C[NH2+]CC[C@H]1NCc1sccc1Br ZINC000261599710 542951841 /nfs/dbraw/zinc/95/18/41/542951841.db2.gz ZYOUPLKQOLZLJV-LLVKDONJSA-N 2 0 303.269 2.988 20 0 DFADRP O[C@@H]1CCC[C@@H]1[NH+]1CCC([NH2+][C@@H]2CCc3ccc(F)cc32)CC1 ZINC000271438570 542965598 /nfs/dbraw/zinc/96/55/98/542965598.db2.gz CCBMOTUOMAPMBH-CEXWTWQISA-N 2 0 318.436 2.780 20 0 DFADRP C[C@H](C[NH+]1CCC(n2ncc3c2C[NH2+]C3)CC1)c1ccccc1 ZINC000424382775 296505987 /nfs/dbraw/zinc/50/59/87/296505987.db2.gz SOLZZBJHDZUDHB-OAHLLOKOSA-N 2 0 310.445 2.927 20 0 DFADRP COc1cc2[nH+]ccc(N[C@H](C)CC[NH3+])c2cc1Br ZINC000424410713 296507610 /nfs/dbraw/zinc/50/76/10/296507610.db2.gz ISOWNZOIYJIXQE-SECBINFHSA-N 2 0 324.222 2.577 20 0 DFADRP Cc1cccc2c1[nH+]cc(C)c2N1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1 ZINC000424412609 296507796 /nfs/dbraw/zinc/50/77/96/296507796.db2.gz NLGJJQKUVWRNHJ-DLBZAZTESA-N 2 0 321.428 2.516 20 0 DFADRP Cc1cc(C[NH3+])cc(NC(=O)N(C)[C@H](C)C2CC[NH+](C)CC2)c1 ZINC000424426754 296508867 /nfs/dbraw/zinc/50/88/67/296508867.db2.gz NGAUZTZKPZJEGH-CQSZACIVSA-N 2 0 318.465 2.648 20 0 DFADRP CCC[NH+](CCC)CCCC(=O)N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000449202647 297422102 /nfs/dbraw/zinc/42/21/02/297422102.db2.gz KKBIDTLBUUZOBZ-QZTJIDSGSA-N 2 0 323.525 2.737 20 0 DFADRP Cc1cc(C[NH3+])cc(NC(=O)NC[C@@H](C)C[NH+]2CCCCC2)c1 ZINC000424446638 296510059 /nfs/dbraw/zinc/51/00/59/296510059.db2.gz SAURYFYETHKFDO-OAHLLOKOSA-N 2 0 318.465 2.697 20 0 DFADRP CC[NH+](CC)C[C@@H]1CC[N@H+](C[C@H](Cc2ccccc2)OC)C1 ZINC000295087452 543029788 /nfs/dbraw/zinc/02/97/88/543029788.db2.gz RTWQOPSIRVKHCF-OALUTQOASA-N 2 0 304.478 2.908 20 0 DFADRP c1ccc(C[N@H+]2CCC[C@@H](CN[C@H]3CCC[NH2+]CC3)C2)cc1 ZINC000309764604 543066057 /nfs/dbraw/zinc/06/60/57/543066057.db2.gz ZCUMFVGJELSVMO-OALUTQOASA-N 2 0 301.478 2.630 20 0 DFADRP C[NH+]1CCN(C(C)(C)C[NH2+][C@@H](c2ccccc2)C2CC2)CC1 ZINC000314607088 543069689 /nfs/dbraw/zinc/06/96/89/543069689.db2.gz DTSGKSDTTJRGEN-SFHVURJKSA-N 2 0 301.478 2.753 20 0 DFADRP C[C@@H](Nc1cccc(OCC[NH+](C)C)c1)C1CC[NH+](C)CC1 ZINC000315955546 543073102 /nfs/dbraw/zinc/07/31/02/543073102.db2.gz ZCFNAXICXQRVHU-OAHLLOKOSA-N 2 0 305.466 2.769 20 0 DFADRP COc1cccc([C@@H](C[NH2+][C@@H](C)C2CC[NH+](C)CC2)N(C)C)c1 ZINC000319534099 543079879 /nfs/dbraw/zinc/07/98/79/543079879.db2.gz CPFFKJURUDDSSH-HNAYVOBHSA-N 2 0 319.493 2.618 20 0 DFADRP Cc1ccc(NC(=O)CN2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)cc1F ZINC000321008307 543083900 /nfs/dbraw/zinc/08/39/00/543083900.db2.gz OYIFEIAOXOXQGF-YOEHRIQHSA-N 2 0 319.424 2.537 20 0 DFADRP O=C(CC[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1)Nc1cccc(F)c1 ZINC000321266030 543085288 /nfs/dbraw/zinc/08/52/88/543085288.db2.gz GNKCKVZIOXPIEK-RHSMWYFYSA-N 2 0 319.424 2.618 20 0 DFADRP C[C@@H](CCc1ccccc1)[NH+]1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000604388511 399843461 /nfs/dbraw/zinc/84/34/61/399843461.db2.gz HYEHFSULIOJPIM-AZUAARDMSA-N 2 0 315.505 2.720 20 0 DFADRP CC(C)c1cccc(NC(=O)CN2C[C@@H]3CCC[C@]3(C[NH3+])C2)c1 ZINC000323761498 543093471 /nfs/dbraw/zinc/09/34/71/543093471.db2.gz VBTCNNCESWBFKJ-LPHOPBHVSA-N 2 0 315.461 2.809 20 0 DFADRP CCC[N@@H+]1CC[C@H](N[C@@H](C)[C@@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC000328264105 543096218 /nfs/dbraw/zinc/09/62/18/543096218.db2.gz NUVIVHHSGYSDOX-SXLOBPIMSA-N 2 0 315.505 2.971 20 0 DFADRP C[C@H]1CCCC[N@@H+]1CCC(=O)N1CCC(C[NH+]2CCCC2)CC1 ZINC000339272325 543142941 /nfs/dbraw/zinc/14/29/41/543142941.db2.gz FRBKUMPXOUNRMH-KRWDZBQOSA-N 2 0 321.509 2.585 20 0 DFADRP C[C@H]1CCCC[N@@H+]1CCC(=O)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000339278973 543143393 /nfs/dbraw/zinc/14/33/93/543143393.db2.gz NNXQBEONPVUICP-ROUUACIJSA-N 2 0 321.509 2.585 20 0 DFADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCC[NH2+][C@H]2CC[NH+]3CCC[C@@H]3C2)C1 ZINC000339070126 543139825 /nfs/dbraw/zinc/13/98/25/543139825.db2.gz WTTRSYMNFNJTRC-ZSYWTGECSA-N 3 0 307.526 2.961 20 0 DFADRP CCO[C@H](C[N@@H+]1CC[C@@H](CNc2cc(C)ccn2)C1)C1CC1 ZINC000625156098 399855144 /nfs/dbraw/zinc/85/51/44/399855144.db2.gz UXGICYBQPHFWMW-DOTOQJQBSA-N 2 0 303.450 2.939 20 0 DFADRP C[C@@H]1CCCC[N@@H+]1CCC(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000339244663 543142102 /nfs/dbraw/zinc/14/21/02/543142102.db2.gz ALYUCHPKGPSZQE-OAHLLOKOSA-N 2 0 303.450 2.951 20 0 DFADRP COC1(C)CC[NH+](CC[C@@H](C)[NH+]2CCC(C)(OC)CC2)CC1 ZINC000342180131 543161717 /nfs/dbraw/zinc/16/17/17/543161717.db2.gz OOTXLNCNVBJCLE-MRXNPFEDSA-N 2 0 312.498 2.767 20 0 DFADRP Cn1ccnc1[C@@H]1CC[N@H+](Cc2ccncc2Br)C1 ZINC000625270053 399871078 /nfs/dbraw/zinc/87/10/78/399871078.db2.gz WMEYQJMTCIBNKX-GFCCVEGCSA-N 2 0 321.222 2.567 20 0 DFADRP CC(C)[C@@H]1CC[C@H]1[NH2+]Cc1cccc(C(=O)NCC[NH+](C)C)c1 ZINC000353497495 543235818 /nfs/dbraw/zinc/23/58/18/543235818.db2.gz OTRHKQMCGIYENJ-ZWKOTPCHSA-N 2 0 317.477 2.502 20 0 DFADRP C[N@@H+]1CCC[C@@H]1CC[NH+]1CC[C@H](c2ccccc2)[C@H](CO)C1 ZINC000352241163 543228501 /nfs/dbraw/zinc/22/85/01/543228501.db2.gz LEEDOXARLVEKCJ-IPMKNSEASA-N 2 0 302.462 2.569 20 0 DFADRP CC(C)[C@@H]1CC[C@@H]1[NH2+]Cc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC000353676223 543237827 /nfs/dbraw/zinc/23/78/27/543237827.db2.gz WCGTVOYODJAQSU-FHWLQOOXSA-N 2 0 302.462 2.777 20 0 DFADRP CC(C)n1ncc2c1C[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@H]3CCC[C@@H]31)CC2 ZINC000353687561 543238782 /nfs/dbraw/zinc/23/87/82/543238782.db2.gz MCTJIKMSXXBSAX-TVFCKZIOSA-N 2 0 316.493 2.784 20 0 DFADRP CS[C@@H]1CC[C@@H]1[NH2+]Cc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC000425331104 296567841 /nfs/dbraw/zinc/56/78/41/296567841.db2.gz AJIVLXXRWBAZCW-ZWKOTPCHSA-N 2 0 320.502 2.627 20 0 DFADRP C[C@@H](CCN1CC[NH+](C)CC1)[NH2+][C@H]1CCCc2sccc21 ZINC000349357592 285845583 /nfs/dbraw/zinc/84/55/83/285845583.db2.gz UMLGITLBNNVERR-HOCLYGCPSA-N 2 0 307.507 2.741 20 0 DFADRP CO[C@@H]1CCCC[C@H]1[NH2+]Cc1cn(-c2cc[nH+]cc2)nc1C ZINC000362964770 543284360 /nfs/dbraw/zinc/28/43/60/543284360.db2.gz XCYFSOZOZRWNJN-IAGOWNOFSA-N 2 0 300.406 2.623 20 0 DFADRP Cc1cccc2c1CC[C@@H]2[NH2+][C@H](C)CCN1CC[NH+](C)CC1 ZINC000349384246 285854622 /nfs/dbraw/zinc/85/46/22/285854622.db2.gz WFVAPLPQNCRHFI-APWZRJJASA-N 2 0 301.478 2.598 20 0 DFADRP CCOc1ccccc1[C@H](C)[NH2+][C@H](C)CCN1CC[NH+](C)CC1 ZINC000349383506 285854759 /nfs/dbraw/zinc/85/47/59/285854759.db2.gz VBBSEUQVLQDUBL-SJORKVTESA-N 2 0 319.493 2.762 20 0 DFADRP [NH3+][C@@H]1CCC[C@H](NC[C@H]2CCCC[N@@H+]2Cc2ccccc2)C1 ZINC000379629323 543297340 /nfs/dbraw/zinc/29/73/40/543297340.db2.gz OSWMFUCJLZEVBX-CEXWTWQISA-N 2 0 301.478 2.901 20 0 DFADRP Cc1ccc(C)c([C@@H](C)[NH2+]CC(C)(C)N2CC[NH+](C)CC2)c1 ZINC000386979743 543301505 /nfs/dbraw/zinc/30/15/05/543301505.db2.gz ZIAYRWBDTXFPFC-QGZVFWFLSA-N 2 0 303.494 2.980 20 0 DFADRP C[C@@H]1C[C@@H]([NH2+]CC(C)(C)N2CC[NH+](C)CC2)c2ccccc21 ZINC000390129602 543305747 /nfs/dbraw/zinc/30/57/47/543305747.db2.gz HBKVRWGDLMMMLD-CRAIPNDOSA-N 2 0 301.478 2.851 20 0 DFADRP Cc1csc(N2CCC([NH2+]C[C@H](C)C[NH+]3CCCC3)CC2)n1 ZINC000165281079 145229369 /nfs/dbraw/zinc/22/93/69/145229369.db2.gz DEMXGDOFQNZFCW-AWEZNQCLSA-N 2 0 322.522 2.742 20 0 DFADRP CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)c1ccc(C[NH3+])cc1 ZINC000166370647 145234727 /nfs/dbraw/zinc/23/47/27/145234727.db2.gz RAMNVYHLFHITGP-QGZVFWFLSA-N 2 0 303.450 2.530 20 0 DFADRP CCOc1cc(CN[C@H]2C[C@@H](C)[N@H+](C)C[C@@H]2C)ccc1OC ZINC000168811958 145243803 /nfs/dbraw/zinc/24/38/03/145243803.db2.gz FGICBCFJOOMQPK-LZWOXQAQSA-N 2 0 306.450 2.912 20 0 DFADRP C[C@H]([NH3+])[C@H]1CCN(CC(=O)Nc2ccc(Cl)c(Cl)c2)C1 ZINC000168656603 145243964 /nfs/dbraw/zinc/24/39/64/145243964.db2.gz JTXBCQMZNBVMGY-UWVGGRQHSA-N 2 0 316.232 2.601 20 0 DFADRP C[C@H]([NH3+])[C@@H]1CCN(Cc2cc(Cl)c3c(c2)OCCCO3)C1 ZINC000168684405 145244118 /nfs/dbraw/zinc/24/41/18/145244118.db2.gz VOCVTAKSGJHJDE-WCQYABFASA-N 2 0 310.825 2.670 20 0 DFADRP C[C@](O)(C[NH2+]C1CC[NH+](C2CCCC2)CC1)c1ccccc1 ZINC000169166727 145245470 /nfs/dbraw/zinc/24/54/70/145245470.db2.gz CFGVJVMPAQMQGQ-IBGZPJMESA-N 2 0 302.462 2.891 20 0 DFADRP [NH3+][C@@H]1CCC[C@@H]([NH2+]Cc2cnn(-c3ccc(Cl)cc3)c2)C1 ZINC000414908504 543327925 /nfs/dbraw/zinc/32/79/25/543327925.db2.gz BMDRPVFEPSHCRF-HUUCEWRRSA-N 2 0 304.825 2.885 20 0 DFADRP [NH3+]CCC[NH2+]CC1(c2ccc(Cl)cc2Cl)CCOCC1 ZINC000415091507 543328687 /nfs/dbraw/zinc/32/86/87/543328687.db2.gz QKOZLYAMDWZMRK-UHFFFAOYSA-N 2 0 317.260 2.980 20 0 DFADRP COc1cc([C@H](C)[NH2+]CCC[NH3+])ccc1OCc1ccncc1 ZINC000415092274 543328910 /nfs/dbraw/zinc/32/89/10/543328910.db2.gz SMIKUTYTWDVBJP-AWEZNQCLSA-N 2 0 315.417 2.669 20 0 DFADRP C[NH+](C)Cc1cccc(-c2ccc3c(c2)CC[C@]([NH3+])(CO)C3)c1 ZINC000630488404 399893924 /nfs/dbraw/zinc/89/39/24/399893924.db2.gz YLJWQKUKXKICNP-HXUWFJFHSA-N 2 0 310.441 2.594 20 0 DFADRP CC[N@@H+]1CC[C@@H](C[NH2+]C2CCN(c3ccccc3OC)CC2)C1 ZINC000631044822 399968171 /nfs/dbraw/zinc/96/81/71/399968171.db2.gz OJSAPXCVRIZRMK-INIZCTEOSA-N 2 0 317.477 2.595 20 0 DFADRP COc1ccccc1N1CCC([NH2+]CCCC[NH+](C)C)CC1 ZINC000631055348 399970589 /nfs/dbraw/zinc/97/05/89/399970589.db2.gz PJDOPHVBCJIBPT-UHFFFAOYSA-N 2 0 305.466 2.595 20 0 DFADRP CCC[NH+]1CCC(C[NH2+]Cc2c3c(nn2C)CCCC3)CC1 ZINC000631063332 399972502 /nfs/dbraw/zinc/97/25/02/399972502.db2.gz CGMSEINTLFDSDI-UHFFFAOYSA-N 2 0 304.482 2.511 20 0 DFADRP COc1ccccc1N1CCC([NH2+]CC2CC[NH+](C)CC2)CC1 ZINC000631065777 399972951 /nfs/dbraw/zinc/97/29/51/399972951.db2.gz SUGWGDOEBYBTGJ-UHFFFAOYSA-N 2 0 317.477 2.595 20 0 DFADRP Cc1scc(C[NH2+][C@H]2CCN(C3CC[NH+](C)CC3)C2)c1C ZINC000631070451 399974147 /nfs/dbraw/zinc/97/41/47/399974147.db2.gz ZCIKQXFGAJOFFD-INIZCTEOSA-N 2 0 307.507 2.623 20 0 DFADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1ccc(=O)[nH]c1 ZINC000631082862 399977005 /nfs/dbraw/zinc/97/70/05/399977005.db2.gz IQGYBSMQQZBVRL-QAPCUYQASA-N 2 0 311.429 2.787 20 0 DFADRP CC[C@@H]1[C@@H](C(=O)NCCCC[NH+]2C[C@H](C)C[C@H](C)C2)CC[N@@H+]1C ZINC000630749392 399924437 /nfs/dbraw/zinc/92/44/37/399924437.db2.gz GTVAYJABMQZTMV-XWTMOSNGSA-N 2 0 323.525 2.591 20 0 DFADRP CCC1([NH+](C)C)CCN(C(=O)[C@@H](C(C)C)[NH+]2CCCCC2)CC1 ZINC000634121141 399985202 /nfs/dbraw/zinc/98/52/02/399985202.db2.gz QWIIWGPWDFEOPC-QGZVFWFLSA-N 2 0 323.525 2.830 20 0 DFADRP Cc1ccc([C@@H](C)C[NH2+]CCCC[N@@H+]2CCC[C@@H]2CO)cc1 ZINC000628217297 400003573 /nfs/dbraw/zinc/00/35/73/400003573.db2.gz ROTHRRWALQOLBN-PKOBYXMFSA-N 2 0 304.478 2.925 20 0 DFADRP Cc1ccc([C@H](C)C[NH2+][C@@H](C)CCN2CC[NH+](C)CC2)cc1 ZINC000628240404 400006303 /nfs/dbraw/zinc/00/63/03/400006303.db2.gz CUDGBQZCSROGNH-MSOLQXFVSA-N 2 0 303.494 2.714 20 0 DFADRP CC[N@@H+]1CC[C@@H](C[NH2+][C@@H]2CCCOc3c(OC)cccc32)C1 ZINC000631570722 400052733 /nfs/dbraw/zinc/05/27/33/400052733.db2.gz XSZBEFRDTVRZPI-GOEBONIOSA-N 2 0 304.434 2.840 20 0 DFADRP COc1ccc2c(c1)CC[C@@H]2[NH2+]CCCC[N@@H+]1CCC[C@@H]1CO ZINC000631582194 400054641 /nfs/dbraw/zinc/05/46/41/400054641.db2.gz YRCLAGFNIDQJBN-APWZRJJASA-N 2 0 318.461 2.509 20 0 DFADRP C[C@@H]1C[N@@H+](CCCC[NH2+][C@H]2CCCc3ncccc32)C[C@H](C)O1 ZINC000631596972 400056801 /nfs/dbraw/zinc/05/68/01/400056801.db2.gz ORTBXMQCLHMKTC-JZXOWHBKSA-N 2 0 317.477 2.938 20 0 DFADRP C([NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCC2)[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000631647245 400061582 /nfs/dbraw/zinc/06/15/82/400061582.db2.gz GBFCVNKMYJCEPZ-FJIDUMEYSA-N 2 0 304.478 2.656 20 0 DFADRP O[C@@H](CC[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)C(F)F ZINC000631697967 400067671 /nfs/dbraw/zinc/06/76/71/400067671.db2.gz AHAPRMJFAFGWRN-NXOAAHMSSA-N 2 0 324.415 2.788 20 0 DFADRP CC[NH+]1CCC([NH2+]C[C@@H]2CCO[C@H]2c2ccc(F)cc2)CC1 ZINC000631734238 400070929 /nfs/dbraw/zinc/07/09/29/400070929.db2.gz ZXKRCNYNKWQRHL-YJBOKZPZSA-N 2 0 306.425 2.977 20 0 DFADRP CC(C)[C@H]1CN(C2CC[NH+](CCC(F)(F)F)CC2)CC[N@@H+]1C ZINC000631793936 400075909 /nfs/dbraw/zinc/07/59/09/400075909.db2.gz POOVQNOOCIXKCP-OAHLLOKOSA-N 2 0 321.431 2.675 20 0 DFADRP c1csc(CN(C[C@@H]2CCCCO2)[C@H]2CC23CC[NH2+]CC3)n1 ZINC000631824572 400077785 /nfs/dbraw/zinc/07/77/85/400077785.db2.gz KHGIUVVKXWJAEB-GJZGRUSLSA-N 2 0 321.490 2.656 20 0 DFADRP Cc1cc(C)c(C[N@@H+]2CCC[C@H]([C@H]3C[C@H]([NH3+])CCO3)C2)c(C)n1 ZINC000631829553 400078117 /nfs/dbraw/zinc/07/81/17/400078117.db2.gz UBAHQPOUWMFEOO-YQVWRLOYSA-N 2 0 317.477 2.725 20 0 DFADRP c1cc(C[N@@H+]2CCCC[C@H]2[C@H]2CC[NH2+]C2)c2c(c1)COCC2 ZINC000631827665 400078125 /nfs/dbraw/zinc/07/81/25/400078125.db2.gz UFGVPWYRPBLJQC-KXBFYZLASA-N 2 0 300.446 2.723 20 0 DFADRP C[C@H]1CC2(C[N@@H+]1Cc1cccc3c1CCOC3)CC[NH2+]CC2 ZINC000631829491 400078213 /nfs/dbraw/zinc/07/82/13/400078213.db2.gz RQFSWVBOWFCZER-HNNXBMFYSA-N 2 0 300.446 2.723 20 0 DFADRP [NH3+]C[C@@H]1C[N@H+](C[C@H]2CCC(F)(F)C2)CC[C@H]1C(F)(F)F ZINC000631830110 400078277 /nfs/dbraw/zinc/07/82/77/400078277.db2.gz KDOMFJATXNUPGQ-HBNTYKKESA-N 2 0 300.315 2.881 20 0 DFADRP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCC[N@@H+]2C[C@H]2CCC(F)(F)C2)C1 ZINC000631829777 400078341 /nfs/dbraw/zinc/07/83/41/400078341.db2.gz ZJUQXFJFJVPOBY-XGUBFFRZSA-N 2 0 302.409 2.783 20 0 DFADRP CO[C@H](C[NH+]1CCC(CC[NH+]2C[C@H](C)O[C@@H](C)C2)CC1)C1CC1 ZINC000425427839 296581118 /nfs/dbraw/zinc/58/11/18/296581118.db2.gz VJISGACIGXXIFL-TXPKVOOTSA-N 2 0 324.509 2.623 20 0 DFADRP Cc1nc(C(C)(C)C)sc1[C@H](C)[NH2+]CCOCC[NH+](C)C ZINC000219304215 146000918 /nfs/dbraw/zinc/00/09/18/146000918.db2.gz LUEMTEAQIKRIDC-LBPRGKRZSA-N 2 0 313.511 2.978 20 0 DFADRP C[C@@]1(C(=O)Nc2cccc(CC[NH+]3CCCC3)c2)CCC[NH2+]C1 ZINC000237631059 146049116 /nfs/dbraw/zinc/04/91/16/146049116.db2.gz RHOASLBAZWVOEW-LJQANCHMSA-N 2 0 315.461 2.653 20 0 DFADRP C[N@@H+]1CCC[C@@H]2C[NH+](CCC(=O)OCc3ccccc3)CC[C@H]21 ZINC000245603236 146086981 /nfs/dbraw/zinc/08/69/81/146086981.db2.gz GPWJAMYXZMDWQH-QZTJIDSGSA-N 2 0 316.445 2.536 20 0 DFADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]C[C@H]1CCN(C)c2ccccc21 ZINC000245657589 146091333 /nfs/dbraw/zinc/09/13/33/146091333.db2.gz FXXKUNFKFZSSHF-YFHUEUNASA-N 2 0 301.478 2.928 20 0 DFADRP C[N@@H+]1CCC[C@@H]1CN[C@@H]1C[C@H]2CC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC000245731239 146098293 /nfs/dbraw/zinc/09/82/93/146098293.db2.gz QGKRXWPERKMZBT-YSTOQKLRSA-N 2 0 313.489 2.866 20 0 DFADRP CC[NH+]1CCN([C@H]2CC[N@@H+]([C@H](C)c3cccc(F)c3)C2)CC1 ZINC000245892704 146107340 /nfs/dbraw/zinc/10/73/40/146107340.db2.gz CAZRZSJYNOVRAX-QAPCUYQASA-N 2 0 305.441 2.599 20 0 DFADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CCN(C)c3ccccc32)[C@@H](C)C1 ZINC000245924274 146110624 /nfs/dbraw/zinc/11/06/24/146110624.db2.gz RTWXHBLWFPCEDW-BQFCYCMXSA-N 2 0 301.478 2.930 20 0 DFADRP COc1c(C)cnc(C[N@@H+]2CC[C@H](C)[C@@H](n3ccnc3)C2)c1C ZINC000246225462 146132818 /nfs/dbraw/zinc/13/28/18/146132818.db2.gz DZZCGLXFNMHKNJ-GUYCJALGSA-N 2 0 314.433 2.987 20 0 DFADRP CC[N@@H+]1CC[C@H]([NH2+]CCCOc2ccc(OC)cc2)[C@@H](C)C1 ZINC000247003517 146158599 /nfs/dbraw/zinc/15/85/99/146158599.db2.gz KTYQIYGRPGBRJE-YJBOKZPZSA-N 2 0 306.450 2.784 20 0 DFADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@H](C)Oc2cccc(OC)c2)[C@H](C)C1 ZINC000247104378 146161467 /nfs/dbraw/zinc/16/14/67/146161467.db2.gz OUZXXSNKXXTTBD-VKJFTORMSA-N 2 0 306.450 2.782 20 0 DFADRP CC[N@@H+]1CC[C@H](C[NH2+][C@H](C)c2cccc(N3CCCC3=O)c2)C1 ZINC000247144099 146163460 /nfs/dbraw/zinc/16/34/60/146163460.db2.gz SNZDXKJLJICYNC-HZPDHXFCSA-N 2 0 315.461 2.806 20 0 DFADRP COc1cccc(O[C@H](C)C[NH2+][C@@H]2C[C@@H](C)[N@H+](C)C[C@@H]2C)c1 ZINC000247137830 146163468 /nfs/dbraw/zinc/16/34/68/146163468.db2.gz QSQMYZLTHZCUTA-LUXYFRNMSA-N 2 0 306.450 2.781 20 0 DFADRP OCCC1(C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)CC1 ZINC000249045939 146184805 /nfs/dbraw/zinc/18/48/05/146184805.db2.gz VYIUQPGNHWPOJQ-REPLKXPHSA-N 2 0 314.473 2.934 20 0 DFADRP [NH3+]C1CCC([NH2+][C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)CC1 ZINC000261552507 146239157 /nfs/dbraw/zinc/23/91/57/146239157.db2.gz RNXLMPRIRNDASO-WYRHQLMOSA-N 3 0 313.489 2.757 20 0 DFADRP C[C@H]([NH2+][C@H]1CCC[NH2+]CC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000261545458 146239568 /nfs/dbraw/zinc/23/95/68/146239568.db2.gz KAULMUCOKZAHJD-UHOSZYNNSA-N 3 0 301.478 2.629 20 0 DFADRP [NH3+][C@@H]1CCC[C@H]([NH2+][C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)C1 ZINC000261559726 146240937 /nfs/dbraw/zinc/24/09/37/146240937.db2.gz ZGXZLSPBKDJYIQ-LJDSDSDDSA-N 3 0 313.489 2.757 20 0 DFADRP C[C@@H](C[C@@H]1CCC[NH2+]1)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000261556786 146241559 /nfs/dbraw/zinc/24/15/59/146241559.db2.gz WIJCUNJWJCMWFT-LPHOPBHVSA-N 2 0 301.478 2.771 20 0 DFADRP CC1(C)C[NH2+]CC[C@H]1[NH2+]Cc1cc(Br)cs1 ZINC000261596837 146243861 /nfs/dbraw/zinc/24/38/61/146243861.db2.gz YYQDEFXPEKCNFC-LLVKDONJSA-N 2 0 303.269 2.988 20 0 DFADRP C[C@@]1(C[NH3+])CC[N@H+](Cc2cccc(OCC(F)(F)F)c2)C1 ZINC000261622759 146248151 /nfs/dbraw/zinc/24/81/51/146248151.db2.gz DNMNWKPIMHIIJV-AWEZNQCLSA-N 2 0 302.340 2.798 20 0 DFADRP C[C@H](CC(=O)NCCC[N@H+](C)C1CCCCC1)[C@H]1CCC[NH2+]C1 ZINC000261643463 146252970 /nfs/dbraw/zinc/25/29/70/146252970.db2.gz DMZNENQRTIXGLJ-SJORKVTESA-N 2 0 323.525 2.783 20 0 DFADRP Cc1ccc([C@H]([NH3+])C(=O)NC[C@@]2([NH+](C)C)CCC[C@H](C)C2)cc1 ZINC000261649103 146253452 /nfs/dbraw/zinc/25/34/52/146253452.db2.gz FOOARTVUKPFHSC-VDZJLULYSA-N 2 0 317.477 2.622 20 0 DFADRP CC[NH+](CC)CCSCc1nc(-c2ccc(C[NH3+])cc2)no1 ZINC000261677491 146258390 /nfs/dbraw/zinc/25/83/90/146258390.db2.gz ACNLMVRVYJEEIE-UHFFFAOYSA-N 2 0 320.462 2.770 20 0 DFADRP CC[NH+](CC)CCN(CCC(F)(F)F)C[C@]1(C)CC[NH2+]C1 ZINC000261722186 146265103 /nfs/dbraw/zinc/26/51/03/146265103.db2.gz GBJAIEATBIWABT-CQSZACIVSA-N 2 0 309.420 2.582 20 0 DFADRP C[C@H]([NH3+])CC(=O)NCc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000261721170 146265247 /nfs/dbraw/zinc/26/52/47/146265247.db2.gz FDZBGAZNTIPWDS-HNNXBMFYSA-N 2 0 317.477 2.805 20 0 DFADRP C[C@@]1(C[NH3+])CC[N@H+](Cc2ccc(OCc3ccncc3)cc2)C1 ZINC000261771577 146273186 /nfs/dbraw/zinc/27/31/86/146273186.db2.gz SHMTUUSLJUYUDJ-IBGZPJMESA-N 2 0 311.429 2.831 20 0 DFADRP C[C@H]([NH3+])CC(=O)NC[C@@H]1CCCC[N@@H+]1Cc1cccc(Cl)c1 ZINC000261776555 146274331 /nfs/dbraw/zinc/27/43/31/146274331.db2.gz JEIGYNJTGPLMKU-BBRMVZONSA-N 2 0 323.868 2.548 20 0 DFADRP CCC1(CNC2=[NH+]CCCN2)CC[NH+](Cc2ccccc2)CC1 ZINC000261794552 146277947 /nfs/dbraw/zinc/27/79/47/146277947.db2.gz IJIYAMLEWSWFTN-UHFFFAOYSA-N 2 0 314.477 2.618 20 0 DFADRP Cc1ccc(C[N@H+]2CCC[C@@H]([C@@H](C)[NH3+])C2)c(-c2ccnn2C)c1 ZINC000261811305 146279790 /nfs/dbraw/zinc/27/97/90/146279790.db2.gz HQJODULEHMZSCD-HZPDHXFCSA-N 2 0 312.461 2.955 20 0 DFADRP Cn1cc(-c2ccc(C[N@@H+]3C[C@@H]4CCC[C@H]([NH3+])[C@@H]4C3)s2)cn1 ZINC000261825356 146283151 /nfs/dbraw/zinc/28/31/51/146283151.db2.gz IRBOFPDDHKSCKN-MAZHCROVSA-N 2 0 316.474 2.708 20 0 DFADRP COc1ccc(OC)c(C[NH+]2CCC([C@H]3CCC[NH2+]3)CC2)c1 ZINC000261837418 146286152 /nfs/dbraw/zinc/28/61/52/146286152.db2.gz CEQDUVHTQBWQMY-QGZVFWFLSA-N 2 0 304.434 2.668 20 0 DFADRP O=C(CC[NH+]1CCC([C@@H]2CCC[NH2+]2)CC1)Nc1ccccc1F ZINC000261833234 146286315 /nfs/dbraw/zinc/28/63/15/146286315.db2.gz XXSBWKQSOAYFLI-INIZCTEOSA-N 2 0 319.424 2.618 20 0 DFADRP COc1ccc(C[N@@H+]2CCC[C@H]([C@@H](C)[NH3+])C2)cc1OC(F)F ZINC000261844179 146287273 /nfs/dbraw/zinc/28/72/73/146287273.db2.gz CWNRHNDGLXHAMQ-YPMHNXCESA-N 2 0 314.376 2.856 20 0 DFADRP Cc1cc(C)c(NC(=O)C[N@@H+]2CCC[C@@H](CC[NH3+])C2)c(C)c1 ZINC000261844386 146287869 /nfs/dbraw/zinc/28/78/69/146287869.db2.gz CXEARRLJIGQVAC-INIZCTEOSA-N 2 0 303.450 2.611 20 0 DFADRP COc1ccc(C[N@@H+]2CCC[C@@H]([C@H](C)[NH3+])C2)cc1OC(F)F ZINC000261844165 146287880 /nfs/dbraw/zinc/28/78/80/146287880.db2.gz CWNRHNDGLXHAMQ-WCQYABFASA-N 2 0 314.376 2.856 20 0 DFADRP CCC[N@H+](CC)Cc1ccc(C(=O)N2C[C@@H](C[NH3+])C[C@@H]2C)cc1 ZINC000261865284 146291554 /nfs/dbraw/zinc/29/15/54/146291554.db2.gz RPTQMWFUZBWSDX-DOTOQJQBSA-N 2 0 317.477 2.728 20 0 DFADRP C[C@H]([NH3+])C1CC[NH+](Cc2ccnn2-c2ccc(F)cc2)CC1 ZINC000261914578 146300223 /nfs/dbraw/zinc/30/02/23/146300223.db2.gz JPYVJWSEFDPXIA-ZDUSSCGKSA-N 2 0 302.397 2.571 20 0 DFADRP CCN(C[C@]1(C)CC[NH2+]C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000261909161 146300327 /nfs/dbraw/zinc/30/03/27/146300327.db2.gz XTBROZYCHWGAMW-RTBURBONSA-N 2 0 301.478 2.582 20 0 DFADRP Cc1ccc2c(C[NH+]3CCC([C@H](C)[NH3+])CC3)cc(=O)oc2c1 ZINC000261924918 146302609 /nfs/dbraw/zinc/30/26/09/146302609.db2.gz ILAVRXCIWBMOOY-ZDUSSCGKSA-N 2 0 300.402 2.661 20 0 DFADRP O=C(NC[C@H]1CCC[N@H+](CCC2CCCCC2)C1)[C@@H]1CCC[NH2+]1 ZINC000261944545 146307168 /nfs/dbraw/zinc/30/71/68/146307168.db2.gz VJCRODQKEYZXTE-MSOLQXFVSA-N 2 0 321.509 2.537 20 0 DFADRP CC(C)c1ccccc1NC(=O)CN1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000261942421 146307826 /nfs/dbraw/zinc/30/78/26/146307826.db2.gz UXUKOFFOAYIZNY-USXIJHARSA-N 2 0 315.461 2.808 20 0 DFADRP COc1ccc(CN2CC[C@]3(CC[NH2+]C3)C2)cc1OCC(C)C ZINC000261972567 146313893 /nfs/dbraw/zinc/31/38/93/146313893.db2.gz IJCHAIRWFYJPNO-IBGZPJMESA-N 2 0 318.461 2.915 20 0 DFADRP C[NH2+]CCC1CC[NH+]([C@H](C)C(=O)Nc2cccc(Cl)c2)CC1 ZINC000261988466 146316742 /nfs/dbraw/zinc/31/67/42/146316742.db2.gz KYLDOMSXMOTTGD-CYBMUJFWSA-N 2 0 323.868 2.989 20 0 DFADRP C[NH2+]CCC1CC[NH+]([C@@H](C)C(=O)N[C@@H](C)c2ccccc2)CC1 ZINC000261985461 146317764 /nfs/dbraw/zinc/31/77/64/146317764.db2.gz JTUKNINUCCRPBH-HOTGVXAUSA-N 2 0 317.477 2.574 20 0 DFADRP COc1ccc(OCC[NH+]2CCC([C@H]3CCC[NH2+]3)CC2)cc1 ZINC000262031494 146325220 /nfs/dbraw/zinc/32/52/20/146325220.db2.gz YVCCPAZSEHSNCC-GOSISDBHSA-N 2 0 304.434 2.538 20 0 DFADRP C[C@H]([NH3+])[C@H]1CCC[N@H+](Cc2ccc(-c3cnn(C)c3)s2)C1 ZINC000262047997 146326912 /nfs/dbraw/zinc/32/69/12/146326912.db2.gz ZHCPUGKZJSZXEE-STQMWFEESA-N 2 0 304.463 2.708 20 0 DFADRP C[C@H]([NH3+])C1CC[NH+](Cc2ccc(OC[C@H]3CCCO3)cc2)CC1 ZINC000262104087 146334543 /nfs/dbraw/zinc/33/45/43/146334543.db2.gz JHXQKAJVJLGANZ-HNAYVOBHSA-N 2 0 318.461 2.804 20 0 DFADRP c1ccc2c(c1)C[C@H](C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1)O2 ZINC000262326107 146351305 /nfs/dbraw/zinc/35/13/05/146351305.db2.gz RQDNJUXMYZZKBZ-ZJPYXAASSA-N 2 0 300.446 2.891 20 0 DFADRP [NH3+][C@@H]1CCC[C@H]2C[N@H+](CCC(=O)Nc3cccc(Cl)c3)C[C@H]21 ZINC000262344629 146352417 /nfs/dbraw/zinc/35/24/17/146352417.db2.gz UPQNJXWBOZWNJV-APHBMKBZSA-N 2 0 321.852 2.728 20 0 DFADRP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)C1C[C@H]2CCC[C@@H](C1)C2[NH3+] ZINC000262352473 146353437 /nfs/dbraw/zinc/35/34/37/146353437.db2.gz UPGBRXWQKPEXNW-IKKRTKPYSA-N 2 0 321.509 2.521 20 0 DFADRP C[NH+](C)CCN(C(=O)CC1(C[NH3+])CCCCC1)C1CCCC1 ZINC000262370372 146354831 /nfs/dbraw/zinc/35/48/31/146354831.db2.gz XKOJVYGJJPYCBD-UHFFFAOYSA-N 2 0 309.498 2.619 20 0 DFADRP CCCOc1ccc(OCC[N@H+](C)[C@@H]2CCC[NH2+]CC2)cc1 ZINC000262531335 146367953 /nfs/dbraw/zinc/36/79/53/146367953.db2.gz PQHDEYBISSXBNX-MRXNPFEDSA-N 2 0 306.450 2.928 20 0 DFADRP CC[NH+]1CCC(CC[NH2+][C@@H]2CC[C@@H](CC(=O)OC)[C@@H]2C)CC1 ZINC000354462468 147047277 /nfs/dbraw/zinc/04/72/77/147047277.db2.gz NNNSGTUJEUDANY-BHYGNILZSA-N 2 0 310.482 2.676 20 0 DFADRP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@@H+]2CCCCOC(C)(C)C ZINC000354729264 147130894 /nfs/dbraw/zinc/13/08/94/147130894.db2.gz ISIYFYBDEOZZNP-BRWVUGGUSA-N 2 0 312.498 2.765 20 0 DFADRP C[C@@H]1CCC[C@H]([NH+]2CCC(NCC[N@H+]3CC=CCC3)CC2)C1 ZINC000355510097 147342708 /nfs/dbraw/zinc/34/27/08/147342708.db2.gz HLKFWRGJEADRFR-MJGOQNOKSA-N 2 0 305.510 2.881 20 0 DFADRP [NH3+][C@H]1C[C@@H]([NH2+]CCNc2ccc3ccccc3n2)c2ccccc21 ZINC000576744526 543454000 /nfs/dbraw/zinc/45/40/00/543454000.db2.gz PSQBIYXCRVPRCT-PKOBYXMFSA-N 2 0 318.424 3.381 20 0 DFADRP COCC[N@H+](C)CC[C@H](Nc1cc[nH+]c(C)c1)c1ccccc1 ZINC000357690267 148086086 /nfs/dbraw/zinc/08/60/86/148086086.db2.gz NNEBYRCAHKUAAW-IBGZPJMESA-N 2 0 313.445 2.933 20 0 DFADRP CC(C)(C)c1ccc(OCCC[NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC000613553285 543476356 /nfs/dbraw/zinc/47/63/56/543476356.db2.gz XKKUROMSPUDUOU-HZPDHXFCSA-N 2 0 302.462 2.904 20 0 DFADRP c1c(C[NH2+]CCC[C@@H]2CCCCO2)onc1C1CC[NH2+]CC1 ZINC000425893186 296602900 /nfs/dbraw/zinc/60/29/00/296602900.db2.gz BPLMOOYGVVWQTH-HNNXBMFYSA-N 2 0 307.438 2.581 20 0 DFADRP CSc1ccc(OCC[N@@H+]2CCC[C@@H]3C[NH2+]CC[C@H]32)cc1 ZINC000631887589 543488855 /nfs/dbraw/zinc/48/88/55/543488855.db2.gz PEFXATZKAATOIR-RHSMWYFYSA-N 2 0 306.475 2.861 20 0 DFADRP COC1CCC(C)(C[NH2+]Cc2cc(C3CC[NH2+]CC3)no2)CC1 ZINC000425896913 296603140 /nfs/dbraw/zinc/60/31/40/296603140.db2.gz RCHVVFHIWXJSIC-UHFFFAOYSA-N 2 0 321.465 2.827 20 0 DFADRP C[C@H]1CN(C)C[C@@H]1[NH2+]CCOc1cccc(C(F)(F)F)c1 ZINC000358020838 148215832 /nfs/dbraw/zinc/21/58/32/148215832.db2.gz MCSARNJRTDAQGL-FZMZJTMJSA-N 2 0 302.340 2.624 20 0 DFADRP Cc1nc([C@H](C)[NH2+]CCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)cs1 ZINC000358034641 148221028 /nfs/dbraw/zinc/22/10/28/148221028.db2.gz HNLZHSBTPMDWJO-MJBXVCDLSA-N 2 0 311.495 2.992 20 0 DFADRP CCN1C[C@H]([NH2+]Cc2cccc(C[N@H+](C)C(C)C)c2)[C@@H](C)C1 ZINC000358055722 148227746 /nfs/dbraw/zinc/22/77/46/148227746.db2.gz CGTQMTSNNZLQNX-LPHOPBHVSA-N 2 0 303.494 2.957 20 0 DFADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CCc2ccc(O)cc2)[C@H](C)C1 ZINC000358103475 148243953 /nfs/dbraw/zinc/24/39/53/148243953.db2.gz WTYYYQVGBMHDMV-VQIMIIECSA-N 2 0 320.477 2.661 20 0 DFADRP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)c2ccc(C[NH3+])cc2)C1 ZINC000358133765 148256165 /nfs/dbraw/zinc/25/61/65/148256165.db2.gz QRMRJJNTLJPRNV-DNVCBOLYSA-N 2 0 323.440 2.711 20 0 DFADRP CC[NH+](CC)CCOCC[NH2+]Cc1c(F)cccc1Cl ZINC000350261202 286022642 /nfs/dbraw/zinc/02/26/42/286022642.db2.gz FVFOHXITYOMTAY-UHFFFAOYSA-N 2 0 302.821 2.927 20 0 DFADRP CS[C@H]1CCC[C@@H]([NH2+]Cc2cc(C3CC[NH2+]CC3)no2)C1 ZINC000425901899 296603960 /nfs/dbraw/zinc/60/39/60/296603960.db2.gz REDZPMRPBQKJKU-HIFRSBDPSA-N 2 0 309.479 2.905 20 0 DFADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CC2(C)CCOCC2)[C@H](C)C1 ZINC000358245322 148300653 /nfs/dbraw/zinc/30/06/53/148300653.db2.gz IAADKONRVGVRQK-IAGOWNOFSA-N 2 0 312.498 2.530 20 0 DFADRP Cc1cnc(CC[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)nc1 ZINC000358351028 148338318 /nfs/dbraw/zinc/33/83/18/148338318.db2.gz HBHRBJYGCLIXPO-IEBWSBKVSA-N 2 0 324.472 2.828 20 0 DFADRP C[N@@H+]1CCCN(CCC[NH2+]C2CCC(C3CCC3)CC2)CC1 ZINC000657349684 543517405 /nfs/dbraw/zinc/51/74/05/543517405.db2.gz JVMRVXWGBNSNBH-UHFFFAOYSA-N 2 0 307.526 2.963 20 0 DFADRP C[C@H]1CCC[N@H+](CCCC[NH2+]Cc2cn(C)nc2C(F)F)C1 ZINC000360984539 149000030 /nfs/dbraw/zinc/00/00/30/149000030.db2.gz RKZLPMXVBQGGSS-ZDUSSCGKSA-N 2 0 314.424 2.959 20 0 DFADRP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]C[C@H]1CCN(c2ccccc2F)C1 ZINC000360995260 149002112 /nfs/dbraw/zinc/00/21/12/149002112.db2.gz ICBPTUFAYNCUAN-INMHGKMJSA-N 2 0 305.441 2.582 20 0 DFADRP C[C@H]([NH2+][C@H]1CCN(C2CC2)C1)c1ccc(OCC[NH+](C)C)cc1 ZINC000361067714 149022070 /nfs/dbraw/zinc/02/20/70/149022070.db2.gz JJJOXOGNWUIQOM-RDJZCZTQSA-N 3 0 317.477 2.514 20 0 DFADRP CC(C)(C)[C@@H]1CCCC[C@H]1[NH2+]CCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000361184866 149050196 /nfs/dbraw/zinc/05/01/96/149050196.db2.gz YRONTCHUSUWNBH-BRWVUGGUSA-N 2 0 323.525 2.768 20 0 DFADRP Fc1ccc(CC[NH+]2CCC(NCC[NH+]3CCCC3)CC2)cc1 ZINC000361344049 149090017 /nfs/dbraw/zinc/09/00/17/149090017.db2.gz OXDUYLFLBNBWEF-UHFFFAOYSA-N 2 0 319.468 2.518 20 0 DFADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@@](C)(O)C1CC1 ZINC000361347212 149091532 /nfs/dbraw/zinc/09/15/32/149091532.db2.gz TXMIINUZHVVKBE-AYOQOUSVSA-N 2 0 302.462 2.648 20 0 DFADRP CCN(C)c1ccc(CN(C)C2CC[NH+](C(C)C)CC2)cn1 ZINC000361492365 149129668 /nfs/dbraw/zinc/12/96/68/149129668.db2.gz HCNUDSXWWOKQBX-UHFFFAOYSA-N 2 0 304.482 2.842 20 0 DFADRP CC[C@@H](C)[C@H]([NH3+])C(=O)N1CCc2c1cccc2C[NH+]1CCCC1 ZINC000361710355 149198835 /nfs/dbraw/zinc/19/88/35/149198835.db2.gz IOMWJEKTQSGNFC-KDOFPFPSSA-N 2 0 315.461 2.545 20 0 DFADRP Cc1cc(C)n(C[C@@H]2CCCC[N@@H+]2CCC[NH+]2CCCC2)n1 ZINC000361946165 149262797 /nfs/dbraw/zinc/26/27/97/149262797.db2.gz SPBHKULHJIJWRG-SFHVURJKSA-N 2 0 304.482 2.840 20 0 DFADRP C[C@@H]([NH2+]C1CCC(CO)CC1)c1ccc(OCC[NH+](C)C)cc1 ZINC000361980864 149270702 /nfs/dbraw/zinc/27/07/02/149270702.db2.gz MMHPGVMYPWWOBN-KLHKWILBSA-N 2 0 320.477 2.829 20 0 DFADRP Cc1ccc(C)c(C[N@@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@@H](C)C2)c1 ZINC000362079437 149290270 /nfs/dbraw/zinc/29/02/70/149290270.db2.gz PDXFASHWBVMHOF-ICSRJNTNSA-N 2 0 315.505 2.761 20 0 DFADRP [NH3+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3OCC(F)(F)F)C[C@H]12 ZINC000351475503 286129291 /nfs/dbraw/zinc/12/92/91/286129291.db2.gz IMTRRZKGHNROAB-KWCYVHTRSA-N 2 0 314.351 2.797 20 0 DFADRP CC[NH+]1CCN([C@H]2CC[N@H+](Cc3cc(C)cc(Cl)c3)C2)CC1 ZINC000351446558 286126950 /nfs/dbraw/zinc/12/69/50/286126950.db2.gz ASLFGPLVULTLOF-SFHVURJKSA-N 2 0 321.896 2.860 20 0 DFADRP C[C@@H]([NH2+][C@@H]1CCN(C2CC[NH+](C)CC2)C1)c1ccc(F)cc1 ZINC000370637270 149958630 /nfs/dbraw/zinc/95/86/30/149958630.db2.gz UIVILDKNYXUMEA-RHSMWYFYSA-N 2 0 305.441 2.645 20 0 DFADRP COCC[C@H](C)[NH2+]CC1CC[NH+](CCc2ccccc2)CC1 ZINC000371142905 149995591 /nfs/dbraw/zinc/99/55/91/149995591.db2.gz VIZGFTLNTRKIHM-KRWDZBQOSA-N 2 0 304.478 2.956 20 0 DFADRP C[C@@H]([NH2+]CCN1CC[N@H+](C)C[C@H]1c1ccccc1)c1ccncc1 ZINC000371391933 150037736 /nfs/dbraw/zinc/03/77/36/150037736.db2.gz IEFRLZBDIULYLE-XLIONFOSSA-N 2 0 324.472 2.721 20 0 DFADRP CN(CC[C@H]1CCCC[N@@H+]1C)Cc1cc(-c2cccnc2)n[nH]1 ZINC000371402782 150041207 /nfs/dbraw/zinc/04/12/07/150041207.db2.gz BLICGANTRHENJE-QGZVFWFLSA-N 2 0 313.449 2.778 20 0 DFADRP Cc1ccc(C[NH+]2CCC(CC[NH+]3CCOCC3)CC2)s1 ZINC000371416758 150043896 /nfs/dbraw/zinc/04/38/96/150043896.db2.gz OUPCOUDKNBYEOI-UHFFFAOYSA-N 2 0 308.491 2.991 20 0 DFADRP Cn1cc(-c2ccccc2C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)cn1 ZINC000371429396 150045051 /nfs/dbraw/zinc/04/50/51/150045051.db2.gz DBQRXGDJDJPVAJ-MSOLQXFVSA-N 2 0 310.445 2.804 20 0 DFADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]Cc1ccccc1-c1cnn(C)c1 ZINC000371429742 150045342 /nfs/dbraw/zinc/04/53/42/150045342.db2.gz GUVMATOHMMMWRI-SPYBWZPUSA-N 2 0 312.461 2.905 20 0 DFADRP CC[N@@H+]1CC[C@H]([NH2+]C2CCC(c3nc(C)no3)CC2)[C@@H](C)C1 ZINC000371446230 150047299 /nfs/dbraw/zinc/04/72/99/150047299.db2.gz CBFORYHLJWZCFL-MFNGEMCRSA-N 2 0 306.454 2.724 20 0 DFADRP CN(C(=[NH2+])NCC1CC[NH+](CCc2ccccc2)CC1)C1CC1 ZINC000371682301 150080492 /nfs/dbraw/zinc/08/04/92/150080492.db2.gz XKKYPIIOLFZTIZ-UHFFFAOYSA-N 2 0 314.477 2.560 20 0 DFADRP CCN1CCC[C@H]([NH2+][C@@H]2CCC(=O)Nc3ccc(F)cc32)C1 ZINC000371687874 150081696 /nfs/dbraw/zinc/08/16/96/150081696.db2.gz BBELZJYYIUMONR-DZGCQCFKSA-N 2 0 305.397 2.673 20 0 DFADRP CCc1nccn1[C@H]1CCC[N@H+](CC[C@H]2CCCC[NH+]2C)C1 ZINC000351598740 286164472 /nfs/dbraw/zinc/16/44/72/286164472.db2.gz VEUDYCGZIWBMIS-SJORKVTESA-N 2 0 304.482 2.957 20 0 DFADRP CCc1nccn1[C@H]1CCC[N@H+](CC[C@@H]2CCCC[NH+]2C)C1 ZINC000351598739 286164825 /nfs/dbraw/zinc/16/48/25/286164825.db2.gz VEUDYCGZIWBMIS-IRXDYDNUSA-N 2 0 304.482 2.957 20 0 DFADRP CCCC[C@H](C)[NH2+]Cc1c(C)nn(C)c1N1CCC[N@H+](C)CC1 ZINC000372783626 150184161 /nfs/dbraw/zinc/18/41/61/150184161.db2.gz RIUALMMLEATPHL-HNNXBMFYSA-N 2 0 321.513 2.539 20 0 DFADRP C[NH+](C)[C@H]1CCC[N@H+](CCCOc2ccc3c(c2)OCO3)CC1 ZINC000372988589 150212295 /nfs/dbraw/zinc/21/22/95/150212295.db2.gz DLTYGWYAMXJFTP-HNNXBMFYSA-N 2 0 320.433 2.600 20 0 DFADRP CO[C@H]1CC[C@@H]([NH2+]Cc2nc3c(s2)CN(C(C)C)CC3)C1 ZINC000373762956 150253154 /nfs/dbraw/zinc/25/31/54/150253154.db2.gz KXIBSCNGSLKKQK-OLZOCXBDSA-N 2 0 309.479 2.567 20 0 DFADRP CCc1oc(C(=O)OC)cc1C[NH+]1CCC(c2c[nH]cn2)CC1 ZINC000374209326 150323157 /nfs/dbraw/zinc/32/31/57/150323157.db2.gz PRKINXSSNDEJLP-UHFFFAOYSA-N 2 0 317.389 2.731 20 0 DFADRP CCc1ccc(NC(=O)CN2CCC(c3c[nH]cn3)CC2)cc1 ZINC000374209385 150323166 /nfs/dbraw/zinc/32/31/66/150323166.db2.gz QCOMHRFVKFZSPO-UHFFFAOYSA-N 2 0 312.417 2.790 20 0 DFADRP O=C(CCC1CC[NH2+]CC1)N[C@@H]1CCC[N@@H+](C2CCCCC2)C1 ZINC000374312699 150342816 /nfs/dbraw/zinc/34/28/16/150342816.db2.gz WKOJDKWPPHLCQK-QGZVFWFLSA-N 2 0 321.509 2.680 20 0 DFADRP Cn1c(Cl)cnc1C[NH+]1CCC2(C[C@@H]2C[N@H+](C)C2CC2)CC1 ZINC000374318570 150343645 /nfs/dbraw/zinc/34/36/45/150343645.db2.gz RQRYXNWAYIRTRZ-CYBMUJFWSA-N 2 0 322.884 2.770 20 0 DFADRP Cn1c(Cl)cnc1C[NH+]1CCC2(C[C@H]2C[N@H+](C)C2CC2)CC1 ZINC000374318571 150344281 /nfs/dbraw/zinc/34/42/81/150344281.db2.gz RQRYXNWAYIRTRZ-ZDUSSCGKSA-N 2 0 322.884 2.770 20 0 DFADRP CC(C)[C@@H](C)NC(=O)C1CC[NH+](CC[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000351641079 286178770 /nfs/dbraw/zinc/17/87/70/286178770.db2.gz YPCSEVJEQPYZMX-AEFFLSMTSA-N 2 0 323.525 2.734 20 0 DFADRP C[C@H]1C[C@H](CN[C@@H]2CC[N@H+](C)[C@H](C)C2)C[NH+]1Cc1ccccc1 ZINC000374526375 150372652 /nfs/dbraw/zinc/37/26/52/150372652.db2.gz HLYQEZASWQDCAL-PIKOESSRSA-N 3 0 315.505 2.969 20 0 DFADRP CCO[C@@H](CC[NH+](C)C)C[NH2+][C@H]1CCCOc2ccc(F)cc21 ZINC000165956693 286198651 /nfs/dbraw/zinc/19/86/51/286198651.db2.gz GWVNBKLDYUIPRV-RDJZCZTQSA-N 2 0 324.440 2.986 20 0 DFADRP C[NH+](C)CC1(C(=O)N2CCCC23CC[NH+](C)CC3)CCCCC1 ZINC000426912212 296643600 /nfs/dbraw/zinc/64/36/00/296643600.db2.gz RQHQPTFZNITPCE-UHFFFAOYSA-N 2 0 321.509 2.585 20 0 DFADRP CC[C@H](C)CCC(=O)N(CC[NH+](C)C)C[C@@H]1CCC[N@@H+]1CC ZINC000351805891 286222933 /nfs/dbraw/zinc/22/29/33/286222933.db2.gz DCEIUHOCQSGYGR-IRXDYDNUSA-N 2 0 311.514 2.687 20 0 DFADRP CCN(CCC[NH+](CC)CC)C(=O)[C@H](C)[NH+]1[C@H](C)CC[C@H]1C ZINC000351803682 286222409 /nfs/dbraw/zinc/22/24/09/286222409.db2.gz GAOAWUILJCBCOA-ZACQAIPSSA-N 2 0 311.514 2.828 20 0 DFADRP C[C@@H]([NH3+])[C@H]1CC[N@H+](CCC(=O)Nc2cccc3ccccc32)C1 ZINC000351857426 286233132 /nfs/dbraw/zinc/23/31/32/286233132.db2.gz BEWOVQZKKAOYKV-ZBFHGGJFSA-N 2 0 311.429 2.838 20 0 DFADRP C[C@H](F)CC[NH+]1CCC(CC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000351886201 286237434 /nfs/dbraw/zinc/23/74/34/286237434.db2.gz CESJXVHHOGPYCI-ARFHVFGLSA-N 2 0 300.462 2.946 20 0 DFADRP O=C(C[C@H]1CCC[NH2+]CC1)NC1CC[NH+](C2CCCCC2)CC1 ZINC000427293466 296652983 /nfs/dbraw/zinc/65/29/83/296652983.db2.gz BPBWJNDYAQDXMP-INIZCTEOSA-N 2 0 321.509 2.680 20 0 DFADRP CCOC(=O)C1(C[NH2+]C2CC[NH+]([C@@H]3CCCC[C@H]3C)CC2)CC1 ZINC000351915577 286243484 /nfs/dbraw/zinc/24/34/84/286243484.db2.gz OYWRRXGUZXPWIZ-NVXWUHKLSA-N 2 0 322.493 2.962 20 0 DFADRP C[N@@H+]1CCC[C@H]1CC[NH+]1CC[C@]2(C1)CCc1ccccc1O2 ZINC000352018053 286270821 /nfs/dbraw/zinc/27/08/21/286270821.db2.gz MZZLCIAAZDTZTM-HKUYNNGSSA-N 2 0 300.446 2.940 20 0 DFADRP COC(=O)[C@H](CC(C)C)[N@@H+]1CC[C@@H](CNc2cccc(C)[nH+]2)C1 ZINC000352024825 286272620 /nfs/dbraw/zinc/27/26/20/286272620.db2.gz JFLFBLOEVIULOK-HOTGVXAUSA-N 2 0 319.449 2.712 20 0 DFADRP COC(=O)[C@@H](CC(C)C)[N@@H+]1CC[C@@H](CNc2cccc(C)[nH+]2)C1 ZINC000352024827 286272676 /nfs/dbraw/zinc/27/26/76/286272676.db2.gz JFLFBLOEVIULOK-JKSUJKDBSA-N 2 0 319.449 2.712 20 0 DFADRP CCC[C@H]([NH2+]C(C)C)C(=O)NC[C@H](c1ccc(C)cc1)[NH+](C)C ZINC000352172851 286311745 /nfs/dbraw/zinc/31/17/45/286311745.db2.gz XJXCLTSOODJVJO-ZWKOTPCHSA-N 2 0 319.493 2.881 20 0 DFADRP CCC[C@H]([NH2+]C(C)C)C(=O)NC[C@H](c1ccc(F)cc1)[NH+](C)C ZINC000352157079 286307564 /nfs/dbraw/zinc/30/75/64/286307564.db2.gz RIJMRMFEAUQHTP-DLBZAZTESA-N 2 0 323.456 2.711 20 0 DFADRP CCC[C@@H]([NH2+]C(C)C)C(=O)N[C@@H](C)C[N@H+](C)Cc1ccccc1 ZINC000352349920 286350073 /nfs/dbraw/zinc/35/00/73/286350073.db2.gz IIZIQDMFUUGKNH-FUHWJXTLSA-N 2 0 319.493 2.790 20 0 DFADRP C[C@@H](C1CC1)N(C(=O)C[N@H+](CCC[NH3+])CC1CCCC1)C1CC1 ZINC000352525431 286398011 /nfs/dbraw/zinc/39/80/11/286398011.db2.gz GMQMFRQMCUALEG-HNNXBMFYSA-N 2 0 321.509 2.617 20 0 DFADRP CC[C@H]1C[C@H](C[NH2+]CC2(SC)CC[NH+](C)CC2)CCO1 ZINC000353225566 286583817 /nfs/dbraw/zinc/58/38/17/286583817.db2.gz XOXOKZYMIHBSNM-CABCVRRESA-N 2 0 300.512 2.609 20 0 DFADRP C[C@@H]([NH2+][C@H]1CCOC1(C)C)c1cccc(OCC[NH+](C)C)c1 ZINC000453298251 298081095 /nfs/dbraw/zinc/08/10/95/298081095.db2.gz SFLKYVHMBXSGFV-PBHICJAKSA-N 2 0 306.450 2.845 20 0 DFADRP O[C@H]1C[C@@H]([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@H]3CCC[C@@H]32)C1 ZINC000453356089 298086334 /nfs/dbraw/zinc/08/63/34/298086334.db2.gz HTHVCVVTQHAAJC-ZRSRNVLSSA-N 2 0 300.446 2.543 20 0 DFADRP CC[C@@H]1CCC[C@@H]1[NH2+]CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000429759787 296757853 /nfs/dbraw/zinc/75/78/53/296757853.db2.gz AOFVQZUIAJVSBN-NJAFHUGGSA-N 2 0 317.477 2.574 20 0 DFADRP C[NH+](C)C1(CNC(=O)[C@H]2CCCCCC[C@@H]2[NH3+])CCCCC1 ZINC000429759584 296757856 /nfs/dbraw/zinc/75/78/56/296757856.db2.gz QDAUXNBLAXRZGY-HOTGVXAUSA-N 2 0 309.498 2.665 20 0 DFADRP Cc1noc(C)c1C[NH+]1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000182976029 158011470 /nfs/dbraw/zinc/01/14/70/158011470.db2.gz HYQAUPNYIOGCAG-UHFFFAOYSA-N 2 0 321.465 2.616 20 0 DFADRP CC(C)O[C@@H]1C[C@@H]([NH2+]C2CC[NH+](C[C@@H]3CCOC3)CC2)C1(C)C ZINC000185227713 158050057 /nfs/dbraw/zinc/05/00/57/158050057.db2.gz ZMORAMHFOUEOQC-CGTJXYLNSA-N 2 0 324.509 2.669 20 0 DFADRP CC[N@H+](C)[C@@H](C(=O)NC[C@H](CC(C)C)[NH+](C)C)c1ccccc1 ZINC000246347127 158087466 /nfs/dbraw/zinc/08/74/66/158087466.db2.gz ITPYKKBDUUSGFV-ZWKOTPCHSA-N 2 0 319.493 2.772 20 0 DFADRP COc1ccc(OCCC[NH2+][C@@H]2C[C@@H](C)[N@H+](C)C[C@@H]2C)cc1 ZINC000246802434 158099657 /nfs/dbraw/zinc/09/96/57/158099657.db2.gz AEWCKCUZRREUIM-HDMKZQKVSA-N 2 0 306.450 2.782 20 0 DFADRP CC[NH+](CC)[C@H](CN[C@@H]1C[C@@H](C)[N@H+](C)C[C@@H]1C)c1ccco1 ZINC000246917228 158105751 /nfs/dbraw/zinc/10/57/51/158105751.db2.gz GDBNEYIVUFOLKX-YLFCFFPRSA-N 2 0 307.482 2.981 20 0 DFADRP CC[N@@H+]1CC[C@@H]([NH2+]Cc2ccc(Cn3ccnc3)cc2)[C@@H](C)C1 ZINC000246989647 158111752 /nfs/dbraw/zinc/11/17/52/158111752.db2.gz KELYJCMRHCTKGU-QFBILLFUSA-N 2 0 312.461 2.751 20 0 DFADRP CC(=O)Nc1ccc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)cc1 ZINC000247305246 158128515 /nfs/dbraw/zinc/12/85/15/158128515.db2.gz ZXJHHCZRZOGICO-FUHWJXTLSA-N 2 0 301.434 2.561 20 0 DFADRP CC[C@H](C)[C@@H](O)C[NH2+][C@H](C)c1ccc(OCC[NH+](C)C)cc1 ZINC000247929357 158151431 /nfs/dbraw/zinc/15/14/31/158151431.db2.gz BXTLMLQNYSAWSD-DAYGRLMNSA-N 2 0 308.466 2.685 20 0 DFADRP CCN1CCC[C@H]1C[NH2+][C@H](C)c1ccc(OCC[NH+](C)C)cc1 ZINC000248027868 158156772 /nfs/dbraw/zinc/15/67/72/158156772.db2.gz PPWOWDATLBCQHR-AEFFLSMTSA-N 2 0 319.493 2.762 20 0 DFADRP Cc1cnn(CCCCC[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)c1 ZINC000248133656 158161405 /nfs/dbraw/zinc/16/14/05/158161405.db2.gz OUPWMACZPLCEOV-ZWKOTPCHSA-N 2 0 304.482 2.778 20 0 DFADRP O[C@H](CCc1ccccc1)C[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000248569674 158184532 /nfs/dbraw/zinc/18/45/32/158184532.db2.gz LTJZAKCUCRPPCO-VQTJNVASSA-N 2 0 316.489 2.788 20 0 DFADRP OCCCCC[NH2+][C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000248751060 158200018 /nfs/dbraw/zinc/20/00/18/158200018.db2.gz OMBFXQFRLQQCBP-IPMKNSEASA-N 2 0 302.462 2.649 20 0 DFADRP C[C@H](c1ccccc1)[N@@H+]1CCN(C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000355027982 158255909 /nfs/dbraw/zinc/25/59/09/158255909.db2.gz FLYCAQNKZOBOTQ-IAGOWNOFSA-N 2 0 301.478 2.848 20 0 DFADRP CCC[C@@H]([NH2+]C(C)C)C(=O)NCc1ccc(CC[NH+](C)C)cc1 ZINC000356865224 158316201 /nfs/dbraw/zinc/31/62/01/158316201.db2.gz IWBWWBWWSXOJQV-GOSISDBHSA-N 2 0 319.493 2.574 20 0 DFADRP C[NH+](C)CCc1ccccc1NC(=O)CC[C@@H]1CCCC[N@@H+]1C ZINC000356893397 158319238 /nfs/dbraw/zinc/31/92/38/158319238.db2.gz PLGJFYDISWBDSF-KRWDZBQOSA-N 2 0 317.477 2.994 20 0 DFADRP CCC[NH+](CCC)CCCC(=O)NCC1(C)CC[NH+](C)CC1 ZINC000356987138 158339764 /nfs/dbraw/zinc/33/97/64/158339764.db2.gz UUUHDIFXAKJUKH-UHFFFAOYSA-N 2 0 311.514 2.737 20 0 DFADRP CC[C@@H]1C[C@@H](C[N@@H+]2CC[C@H](OCC[NH+](CC)CC)C2)CCO1 ZINC000357001438 158343636 /nfs/dbraw/zinc/34/36/36/158343636.db2.gz XSAUMFKGRRMBFA-KSZLIROESA-N 2 0 312.498 2.624 20 0 DFADRP CCOc1cc(C[NH+]2CCC([C@@H]3CC[NH2+]C3)CC2)ccc1OC ZINC000357042700 158354909 /nfs/dbraw/zinc/35/49/09/158354909.db2.gz FVDSZOLKOHTDGQ-QGZVFWFLSA-N 2 0 318.461 2.915 20 0 DFADRP c1c(C[NH+]2CCC([C@H]3CC[NH2+]C3)CC2)[nH]nc1-c1ccccc1 ZINC000357052483 158357129 /nfs/dbraw/zinc/35/71/29/158357129.db2.gz NSKJHJNOVPYMAJ-KRWDZBQOSA-N 2 0 310.445 2.898 20 0 DFADRP COc1cc(C[NH+]2CCC([C@@H]3CC[NH2+]C3)CC2)cc(OC)c1 ZINC000357053726 158357375 /nfs/dbraw/zinc/35/73/75/158357375.db2.gz PUIZYINRHJAQFZ-MRXNPFEDSA-N 2 0 304.434 2.525 20 0 DFADRP c1ccc(CCOCCC[NH+]2CCC([C@H]3CC[NH2+]C3)CC2)cc1 ZINC000357080854 158361581 /nfs/dbraw/zinc/36/15/81/158361581.db2.gz NGZOSGINXQGQQY-FQEVSTJZSA-N 2 0 316.489 2.957 20 0 DFADRP CCc1ccc(NC(=O)[C@H](C)[N@@H+]2CCC3(C2)CC[NH2+]CC3)cc1 ZINC000358508017 158383562 /nfs/dbraw/zinc/38/35/62/158383562.db2.gz NYLVYVYJNBOQGW-HNNXBMFYSA-N 2 0 315.461 2.652 20 0 DFADRP CC[NH2+]CC1CC[NH+]([C@H](C)C(=O)Nc2ccc(C)c(F)c2)CC1 ZINC000430571209 296796321 /nfs/dbraw/zinc/79/63/21/296796321.db2.gz HRAZNAQFLCQLHY-CQSZACIVSA-N 2 0 321.440 2.783 20 0 DFADRP Cc1ccc(NC(=O)[C@@H](C)[NH+]2CCC([C@H](C)[NH3+])CC2)cc1C ZINC000430940259 296813962 /nfs/dbraw/zinc/81/39/62/296813962.db2.gz JOMTWWMTQDHBAF-LSDHHAIUSA-N 2 0 303.450 2.690 20 0 DFADRP C[NH2+]CC1CC[NH+]([C@H](C)C(=O)Nc2cccc(Cl)c2)CC1 ZINC000430965927 296816033 /nfs/dbraw/zinc/81/60/33/296816033.db2.gz LYNCWWCOWONZMT-GFCCVEGCSA-N 2 0 309.841 2.598 20 0 DFADRP Cc1ccc([C@H](C)[NH2+]Cc2ccc(N3CC[NH+](C)CC3)nc2)cc1 ZINC000130533566 196088535 /nfs/dbraw/zinc/08/85/35/196088535.db2.gz KLGUTFUPMVBROU-KRWDZBQOSA-N 2 0 324.472 2.993 20 0 DFADRP CC[N@H+](Cc1ccc(C(=O)N2CCCC[C@H]2C[NH3+])cc1)C(C)C ZINC000131003089 196130537 /nfs/dbraw/zinc/13/05/37/196130537.db2.gz UDAREOFAKYNTQO-SFHVURJKSA-N 2 0 317.477 2.870 20 0 DFADRP CC[N@H+](CC(=O)NCC(C)(C)[NH2+][C@@H](C)c1ccccc1)C1CC1 ZINC000132085830 196225041 /nfs/dbraw/zinc/22/50/41/196225041.db2.gz VSKHAUZHYPGRRK-HNNXBMFYSA-N 2 0 317.477 2.716 20 0 DFADRP CC(C)[C@H](C[NH2+][C@H](C)c1ccc(F)cc1)N1CC[NH+](C)CC1 ZINC000132326079 196246581 /nfs/dbraw/zinc/24/65/81/196246581.db2.gz XVVUEYCMWSLPIT-QAPCUYQASA-N 2 0 307.457 2.748 20 0 DFADRP CC(C)[C@H](C[NH2+][C@H]1CCCc2ccccc21)N1CC[NH+](C)CC1 ZINC000132347117 196248115 /nfs/dbraw/zinc/24/81/15/196248115.db2.gz VLWICMHZODOEDK-PMACEKPBSA-N 2 0 315.505 2.926 20 0 DFADRP CC[N@@H+]1CC[C@@H]([NH2+]C2CCN(c3ccccc3)CC2)[C@H](C)C1 ZINC000132746831 196279953 /nfs/dbraw/zinc/27/99/53/196279953.db2.gz QLGZXKRCFKXCJD-VQIMIIECSA-N 2 0 301.478 2.975 20 0 DFADRP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)[C@H]2CCC[C@@H]([NH3+])C2)C1 ZINC000262319119 287272308 /nfs/dbraw/zinc/27/23/08/287272308.db2.gz VHFLKDWRXQEACZ-VSZNYVQBSA-N 2 0 321.509 2.617 20 0 DFADRP C[C@H]1C[C@H](NC[C@@H](c2ccccc2)[NH+]2CCCC2)CC[N@@H+]1C ZINC000134068414 196358506 /nfs/dbraw/zinc/35/85/06/196358506.db2.gz JRHBUOZBHDNCLJ-UHOSZYNNSA-N 2 0 301.478 2.896 20 0 DFADRP CCC[C@@H](C(=O)Nc1ccc(C[NH+]2CCCC2)cc1)[NH+](C)C ZINC000134244641 196373590 /nfs/dbraw/zinc/37/35/90/196373590.db2.gz FLQPMPLXYFBBHZ-KRWDZBQOSA-N 2 0 303.450 2.951 20 0 DFADRP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)NC[C@@H](c1ccccc1)[NH+](CC)CC ZINC000289797995 287318325 /nfs/dbraw/zinc/31/83/25/287318325.db2.gz YYXGQAPDGFNPOZ-BZSNNMDCSA-N 2 0 317.477 2.574 20 0 DFADRP OC1CC[NH+](Cc2ccccc2C[NH2+][C@@H]2CCC[C@@H]3C[C@@H]32)CC1 ZINC000667889018 543698195 /nfs/dbraw/zinc/69/81/95/543698195.db2.gz NKQRMZDWYANYCY-UIAACRFSSA-N 2 0 314.473 2.922 20 0 DFADRP Brc1ccc2oc(CN3C[C@H]4C[NH2+]C[C@H]4C3)cc2c1 ZINC000667712844 543665315 /nfs/dbraw/zinc/66/53/15/543665315.db2.gz QSFABOZYJRIREU-TXEJJXNPSA-N 2 0 321.218 2.847 20 0 DFADRP C[C@@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)Nc1cccc(C[NH3+])c1 ZINC000667731599 543668284 /nfs/dbraw/zinc/66/82/84/543668284.db2.gz YDGYTXMDERZRHF-KFWWJZLASA-N 2 0 318.465 2.633 20 0 DFADRP CC[NH+](CC)CCN(CC(C)C)C(=O)Nc1cccc(C[NH3+])c1 ZINC000667731275 543668563 /nfs/dbraw/zinc/66/85/63/543668563.db2.gz PFYRPLPDMIHTIZ-UHFFFAOYSA-N 2 0 320.481 2.977 20 0 DFADRP C[N@@H+]1CC[C@H](NC(=O)Nc2cccc(C[NH3+])c2)[C@H]1c1ccccc1 ZINC000667734970 543669673 /nfs/dbraw/zinc/66/96/73/543669673.db2.gz CUIHWKRWZVHDSP-ZWKOTPCHSA-N 2 0 324.428 2.712 20 0 DFADRP C[C@@H]1CN(Cc2ccccc2)C[C@@H]1[NH2+][C@@H]1CO[C@@H](C2CC2)C1 ZINC000667992021 543719696 /nfs/dbraw/zinc/71/96/96/543719696.db2.gz GKOZJRNPHXUYKU-GRGSLBFTSA-N 2 0 300.446 2.664 20 0 DFADRP CC[C@@H](C[NH+]1CCCC1)NC(=O)C[C@H](c1ccccc1)[NH+](C)C ZINC000667956335 543710838 /nfs/dbraw/zinc/71/08/38/543710838.db2.gz PWOVPOHUVKLXKH-ZWKOTPCHSA-N 2 0 317.477 2.670 20 0 DFADRP c1nc2n(c1CN1C[C@@H]3CC[N@H+](Cc4ccccc4)[C@@H]3C1)CCC2 ZINC000668250497 543778238 /nfs/dbraw/zinc/77/82/38/543778238.db2.gz VQXROKALQBGRHQ-PKOBYXMFSA-N 2 0 322.456 2.536 20 0 DFADRP CC(C)[C@@H]1C[N@H+](Cc2ccnn2-c2cc[nH+]cc2)CCCO1 ZINC000668198060 543765310 /nfs/dbraw/zinc/76/53/10/543765310.db2.gz DHSLXRSCGMSGAB-KRWDZBQOSA-N 2 0 300.406 2.514 20 0 DFADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)C1CCC2(CC2)CC1 ZINC000668666826 543843422 /nfs/dbraw/zinc/84/34/22/543843422.db2.gz NDLLCCOGWWYQOF-UHFFFAOYSA-N 2 0 323.525 2.689 20 0 DFADRP CC(C)C1CCC(C[NH+]2CCC([N@@H+]3CC[C@@H](O)C3)CC2)CC1 ZINC000668739173 543858129 /nfs/dbraw/zinc/85/81/29/543858129.db2.gz JZVZHCBYPNXJSZ-FAFZWHIHSA-N 2 0 308.510 2.980 20 0 DFADRP CN1CCN(Cc2ccccc2)[C@@H](C[NH2+][C@H]2CCC[C@@H]3C[C@@H]32)C1 ZINC000668759172 543862152 /nfs/dbraw/zinc/86/21/52/543862152.db2.gz RZRIADUWBMIVTD-FYQPLNBISA-N 2 0 313.489 2.581 20 0 DFADRP CN1CCN(Cc2ccccc2)[C@@H](C[NH2+][C@@H]2CCC[C@@H]3C[C@@H]32)C1 ZINC000668759170 543862219 /nfs/dbraw/zinc/86/22/19/543862219.db2.gz RZRIADUWBMIVTD-FUMNGEBKSA-N 2 0 313.489 2.581 20 0 DFADRP CO[C@H]1CC[N@H+](Cc2ccc(OCC[NH+](C)C)cc2)[C@H](C)C1 ZINC000669621116 543976470 /nfs/dbraw/zinc/97/64/70/543976470.db2.gz GYLLIHSYBHXUNH-QAPCUYQASA-N 2 0 306.450 2.626 20 0 DFADRP CCC[C@H]([NH2+][C@H]1CCN(C2CC[NH+](C)CC2)C1)[C@@H]1CC1(C)C ZINC000669418984 543943556 /nfs/dbraw/zinc/94/35/56/543943556.db2.gz PNAUDHHMXYSPFB-SZMVWBNQSA-N 2 0 307.526 2.959 20 0 DFADRP CCC[C@H]([NH2+][C@@H]1CCN(C2CC[NH+](C)CC2)C1)[C@@H]1CC1(C)C ZINC000669418982 543943804 /nfs/dbraw/zinc/94/38/04/543943804.db2.gz PNAUDHHMXYSPFB-NJAFHUGGSA-N 2 0 307.526 2.959 20 0 DFADRP OC[C@@]1([NH2+][C@@H]2CCC23CCC3)CCCN(Cc2ccccc2)C1 ZINC000669702505 543986201 /nfs/dbraw/zinc/98/62/01/543986201.db2.gz HJCACOGLJFEGDP-UYAOXDASSA-N 2 0 314.473 2.936 20 0 DFADRP C[C@H](C[NH2+]Cc1ccc(C(=O)NCC[NH+](C)C)cc1)C(C)(C)C ZINC000670268468 544031439 /nfs/dbraw/zinc/03/14/39/544031439.db2.gz ISSLYBSTGDNJIY-OAHLLOKOSA-N 2 0 319.493 2.750 20 0 DFADRP OC1(CC[NH2+]Cc2ccc(OCC[NH+]3CCCC3)cc2)CCC1 ZINC000671195014 544060041 /nfs/dbraw/zinc/06/00/41/544060041.db2.gz PNCKAYRGEALZNT-UHFFFAOYSA-N 2 0 318.461 2.556 20 0 DFADRP Cc1cccn2cc(CC[NH2+][C@@H]3CC[N@@H+](C)[C@H]4CCC[C@H]43)nc12 ZINC000671749730 544106413 /nfs/dbraw/zinc/10/64/13/544106413.db2.gz MLBFNGALCRPXSN-KSZLIROESA-N 2 0 312.461 2.648 20 0 DFADRP CCC[N@@H+]1CC[C@@H](C[NH2+][C@H](C)c2ccc3[nH]c(=O)oc3c2)C1 ZINC000671742511 544105425 /nfs/dbraw/zinc/10/54/25/544105425.db2.gz DHKNACIIFPLSJK-OLZOCXBDSA-N 2 0 303.406 2.916 20 0 DFADRP COc1ccc2c(c1)OCC[C@@H]2[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@@H]21 ZINC000671748408 544105803 /nfs/dbraw/zinc/10/58/03/544105803.db2.gz GUPFXFHBTVIOPA-BGTYHANMSA-N 2 0 316.445 2.981 20 0 DFADRP COc1cc(C[N@@H+]2CC[C@H](C3CC[NH+](C)CC3)C2)cc(OC)c1 ZINC000290298781 221554061 /nfs/dbraw/zinc/55/40/61/221554061.db2.gz BASPHVWJFDFMSV-KRWDZBQOSA-N 2 0 318.461 2.868 20 0 DFADRP CC1CC[NH+](CCC[C@H]([NH2+]CCO)c2ccc(F)cc2)CC1 ZINC000291070508 222114429 /nfs/dbraw/zinc/11/44/29/222114429.db2.gz BATUNONCQJVYDY-SFHVURJKSA-N 2 0 308.441 2.961 20 0 DFADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]C[C@@H]1CCN(c2ccccc2F)C1 ZINC000291133514 222160940 /nfs/dbraw/zinc/16/09/40/222160940.db2.gz HAUWVMBMBIXFBG-XLMAVXFVSA-N 2 0 319.468 2.970 20 0 DFADRP OC[C@H]1CCC[N@@H+]1CCCC[NH2+][C@H]1CCCc2c(O)cccc21 ZINC000291226196 222238865 /nfs/dbraw/zinc/23/88/65/222238865.db2.gz NVFLBYODCJMKMV-QAPCUYQASA-N 2 0 318.461 2.596 20 0 DFADRP O=C(Nc1ccc2nccn2c1)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000674014910 544214245 /nfs/dbraw/zinc/21/42/45/544214245.db2.gz ODSWJZIBSFULPV-AWEZNQCLSA-N 2 0 312.417 2.927 20 0 DFADRP CC[NH+](CC)[C@H](C(=O)N[C@H]1C[N@H+](CC)C[C@@H]1C)c1ccccc1 ZINC000674844388 544268882 /nfs/dbraw/zinc/26/88/82/544268882.db2.gz MYNJVEXZWCDRIO-SZMVWBNQSA-N 2 0 317.477 2.526 20 0 DFADRP CC[NH+](CC)Cc1ccc(C(=O)N[C@@H]2C[N@@H+](C(C)C)C[C@@H]2C)o1 ZINC000674965100 544280034 /nfs/dbraw/zinc/28/00/34/544280034.db2.gz MCTTYPBYHZHDOC-GOEBONIOSA-N 2 0 321.465 2.580 20 0 DFADRP OCCC1(C[NH2+]C2CCN(c3cc[nH+]cc3)CC2)CCCCC1 ZINC000297572742 227318975 /nfs/dbraw/zinc/31/89/75/227318975.db2.gz HYRWKLDRFPMFPR-UHFFFAOYSA-N 2 0 317.477 2.973 20 0 DFADRP C[C@H]([NH2+][C@H]1CCC[C@H](O)C1)c1ccc(OCC[NH+](C)C)cc1 ZINC000675766793 544334466 /nfs/dbraw/zinc/33/44/66/544334466.db2.gz OLZFBANPVMRJEI-XIRDDKMYSA-N 2 0 306.450 2.581 20 0 DFADRP C[C@H]([NH2+][C@H]1CCC[C@@H](O)C1)c1ccc(OCC[NH+](C)C)cc1 ZINC000675766789 544334556 /nfs/dbraw/zinc/33/45/56/544334556.db2.gz OLZFBANPVMRJEI-BHYGNILZSA-N 2 0 306.450 2.581 20 0 DFADRP C[C@H](C[NH2+][C@H](C)C1CC[NH+](C)CC1)N1CCc2ccccc21 ZINC000675775971 544335548 /nfs/dbraw/zinc/33/55/48/544335548.db2.gz DEEOGDUYNUQLCZ-HZPDHXFCSA-N 2 0 301.478 2.758 20 0 DFADRP COc1cccc(N2CC[C@H]([NH2+][C@H](C)C3CC[NH+](C)CC3)C2)c1 ZINC000675810599 544338100 /nfs/dbraw/zinc/33/81/00/544338100.db2.gz IQBLCRQYGFTVRU-WBVHZDCISA-N 2 0 317.477 2.594 20 0 DFADRP CC[C@H]([NH2+][C@@H](C)C1CC[NH+](C)CC1)c1nnc2n1CCCCC2 ZINC000675804516 544337788 /nfs/dbraw/zinc/33/77/88/544337788.db2.gz BGGZFODUGYIPIB-HOCLYGCPSA-N 2 0 319.497 2.776 20 0 DFADRP C[N@@H+]1CCN(CC[NH2+]C2CCC(C(F)(F)F)CC2)CC1(C)C ZINC000442876302 297208956 /nfs/dbraw/zinc/20/89/56/297208956.db2.gz QVKIKWOFVPJGJI-UHFFFAOYSA-N 2 0 321.431 2.723 20 0 DFADRP CC[C@@H]1CN(C(=O)C(C)C)CC[C@@H]1[NH2+][C@@H](C)C1CC[NH+](C)CC1 ZINC000675922451 544344634 /nfs/dbraw/zinc/34/46/34/544344634.db2.gz WGEAYVMWROWALI-JZXOWHBKSA-N 2 0 323.525 2.589 20 0 DFADRP CC[C@@H]1CN(C(=O)C(C)C)CC[C@H]1[NH2+][C@H](C)C1CC[NH+](C)CC1 ZINC000675922449 544344688 /nfs/dbraw/zinc/34/46/88/544344688.db2.gz WGEAYVMWROWALI-JFIYKMOQSA-N 2 0 323.525 2.589 20 0 DFADRP C[NH+]1CCN(C(C)(C)C[NH2+][C@@H]2CCc3c2cc(F)cc3F)CC1 ZINC000677129491 544438151 /nfs/dbraw/zinc/43/81/51/544438151.db2.gz LPWCDJBYZFXHBV-QGZVFWFLSA-N 2 0 323.431 2.568 20 0 DFADRP Fc1ccc(N2CC[C@H]([NH2+][C@H]3CC[N@@H+]4CCC[C@H]4C3)C2)c(F)c1 ZINC000677240351 544457298 /nfs/dbraw/zinc/45/72/98/544457298.db2.gz HFIQLQXWMVDLDZ-JYJNAYRXSA-N 2 0 321.415 2.760 20 0 DFADRP CCC(CC)[C@H](C)C(=O)N(C)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000677766811 544538658 /nfs/dbraw/zinc/53/86/58/544538658.db2.gz PEPZIDDEMIKNKO-YJBOKZPZSA-N 2 0 323.525 2.686 20 0 DFADRP CCC(CC)[C@@H](C)C(=O)N(C)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000677766806 544539294 /nfs/dbraw/zinc/53/92/94/544539294.db2.gz PEPZIDDEMIKNKO-CRAIPNDOSA-N 2 0 323.525 2.686 20 0 DFADRP C[C@@H](CC[NH+](C)C)N[C@H]1C[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC000677804312 544543428 /nfs/dbraw/zinc/54/34/28/544543428.db2.gz FBHQKDFGUGHOAP-FUHWJXTLSA-N 2 0 303.494 2.969 20 0 DFADRP Fc1ccccc1OCC[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000298376424 228519039 /nfs/dbraw/zinc/51/90/39/228519039.db2.gz KXQSVGZOHJEGNB-UHFFFAOYSA-N 2 0 315.392 2.858 20 0 DFADRP COc1ccc(C2([NH2+]CC[C@H]3CCC[N@@H+]3C)CCOCC2)cc1 ZINC000678078745 544595603 /nfs/dbraw/zinc/59/56/03/544595603.db2.gz ATYWBCJEODVESI-QGZVFWFLSA-N 2 0 318.461 2.775 20 0 DFADRP OCc1ccc(C[NH+]2CCC(C[NH+]3CCCCCC3)CC2)o1 ZINC000678139271 544609243 /nfs/dbraw/zinc/60/92/43/544609243.db2.gz PWFHOYRQXNAMIS-UHFFFAOYSA-N 2 0 306.450 2.860 20 0 DFADRP Cn1nc(C[NH+]2CCC(CC[NH+](C)C)CC2)c2ccccc21 ZINC000678208183 544619488 /nfs/dbraw/zinc/61/94/88/544619488.db2.gz FSBIYYWGOMCJIC-UHFFFAOYSA-N 2 0 300.450 2.737 20 0 DFADRP CC1(O)CC[NH+](Cc2ccc(OCC[NH+]3CCCC3)cc2)CC1 ZINC000678267459 544637244 /nfs/dbraw/zinc/63/72/44/544637244.db2.gz GSRDVHLVNBCKJM-UHFFFAOYSA-N 2 0 318.461 2.508 20 0 DFADRP CC[N@@H+]1CC[C@H](N(C)Cc2cn3cccc(F)c3n2)[C@H](C)C1 ZINC000678277240 544641686 /nfs/dbraw/zinc/64/16/86/544641686.db2.gz HBKASKBHZYWRLO-CJNGLKHVSA-N 2 0 304.413 2.636 20 0 DFADRP C[C@@H]([NH2+]CC[C@H]1COc2ccccc2O1)C1CC[NH+](C)CC1 ZINC000678598441 544698986 /nfs/dbraw/zinc/69/89/86/544698986.db2.gz IHAMHFZLSXBFES-ZBFHGGJFSA-N 2 0 304.434 2.536 20 0 DFADRP C[C@H]1CCc2ccccc2[C@H]1[NH2+]CC(C)(C)N1CC[NH+](C)CC1 ZINC000678766850 544716764 /nfs/dbraw/zinc/71/67/64/544716764.db2.gz PTFIDTOFKRGZMW-LPHOPBHVSA-N 2 0 315.505 2.926 20 0 DFADRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H]2CCC(F)(F)C2)[C@H](C)C1 ZINC000679072869 544779196 /nfs/dbraw/zinc/77/91/96/544779196.db2.gz DTHNAJXUFFPCCR-KFWWJZLASA-N 2 0 304.425 2.901 20 0 DFADRP CC[N@@H+]1C[C@H](C)[C@H](NC2CC[NH+]([C@@H]3CCC[C@H](C)C3)CC2)C1 ZINC000679076093 544780069 /nfs/dbraw/zinc/78/00/69/544780069.db2.gz QNOUFIPPVSCPKY-RNIPGJKVSA-N 2 0 307.526 2.959 20 0 DFADRP c1cnn(-c2ccc(C[NH+]3CCN(c4cc[nH+]cc4)CC3)cc2)c1 ZINC000679439953 544854063 /nfs/dbraw/zinc/85/40/63/544854063.db2.gz FVEITHRSTLXZEW-UHFFFAOYSA-N 2 0 319.412 2.590 20 0 DFADRP CC(C)(CO)C[NH2+][C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000679720575 544905342 /nfs/dbraw/zinc/90/53/42/544905342.db2.gz CMUXHTYFFGSQOB-GBESFXJTSA-N 2 0 316.489 2.895 20 0 DFADRP CC(C)(CO)C[NH2+][C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000679720578 544905523 /nfs/dbraw/zinc/90/55/23/544905523.db2.gz CMUXHTYFFGSQOB-IPMKNSEASA-N 2 0 316.489 2.895 20 0 DFADRP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+]1CCC[C@H](n2ccnc2)C1 ZINC000680330569 544991992 /nfs/dbraw/zinc/99/19/92/544991992.db2.gz YZKOHMHWZVNUGI-SFHVURJKSA-N 2 0 322.416 2.609 20 0 DFADRP c1n[nH]cc1C[NH2+][C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000680146654 544963820 /nfs/dbraw/zinc/96/38/20/544963820.db2.gz ZWIYIHGCOIZXKA-GBESFXJTSA-N 2 0 310.445 2.800 20 0 DFADRP C[C@@H]1C[C@@H](CC[NH2+]Cc2ccc(OCC[NH+](C)C)cc2)CCO1 ZINC000680142049 544964059 /nfs/dbraw/zinc/96/40/59/544964059.db2.gz QXKXRNAIVBZDKT-SJORKVTESA-N 2 0 320.477 2.922 20 0 DFADRP CC[NH+](CC)CCOc1ccccc1NC(=O)C[N@H+](C)C(C)C ZINC000063505405 425900577 /nfs/dbraw/zinc/90/05/77/425900577.db2.gz WPRIVYJAFGBOCB-UHFFFAOYSA-N 2 0 321.465 2.686 20 0 DFADRP CC1CC[NH+](CCCNC(=O)c2cccc(C[NH+](C)C)c2)CC1 ZINC000155536707 425920424 /nfs/dbraw/zinc/92/04/24/425920424.db2.gz DVIZAQZQKWGVTA-UHFFFAOYSA-N 2 0 317.477 2.600 20 0 DFADRP C/C(=C\c1ccccc1)C[NH2+]CCCC[NH+]1CCN(C)CC1 ZINC000102422179 425920627 /nfs/dbraw/zinc/92/06/27/425920627.db2.gz HKOZMEKDILCATF-FBMGVBCBSA-N 2 0 301.478 2.707 20 0 DFADRP CC[NH+]1CCN([C@@H](C)C[NH2+][C@@H]2CCSc3ccccc32)CC1 ZINC000155607221 425921634 /nfs/dbraw/zinc/92/16/34/425921634.db2.gz XZFRAKGKDARLQQ-DOTOQJQBSA-N 2 0 319.518 2.839 20 0 DFADRP CC[NH+]1CCN([C@@H](C)C[NH2+][C@H]2CCc3c2cccc3C)CC1 ZINC000155586851 425922023 /nfs/dbraw/zinc/92/20/23/425922023.db2.gz PYFRMUCQJBCHBF-LPHOPBHVSA-N 2 0 301.478 2.598 20 0 DFADRP CC[NH2+]Cc1ccccc1NC(=O)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000124502209 425922828 /nfs/dbraw/zinc/92/28/28/425922828.db2.gz GLICZBINROBEOK-VHRNVKJDSA-N 2 0 301.434 2.655 20 0 DFADRP CCc1cc(NC[C@@H](C)[NH+]2CCN(C)CC2)c2ccccc2[nH+]1 ZINC000124499126 425923683 /nfs/dbraw/zinc/92/36/83/425923683.db2.gz UWQWXHSWRZPBPH-OAHLLOKOSA-N 2 0 312.461 2.845 20 0 DFADRP CC[NH+]1CCN([C@@H](C)C[NH2+][C@H]2c3cc(F)ccc3C[C@@H]2C)CC1 ZINC000155762995 425926931 /nfs/dbraw/zinc/92/69/31/425926931.db2.gz XOKNDSBEFHNYDH-YZVOILCLSA-N 2 0 319.468 2.675 20 0 DFADRP Cc1cccc(C[NH+]2CCN(CC[C@@H]3CCC[N@H+]3C)CC2)c1 ZINC000124706073 425934567 /nfs/dbraw/zinc/93/45/67/425934567.db2.gz LFDLHUCWYUUKQI-IBGZPJMESA-N 2 0 301.478 2.597 20 0 DFADRP c1cc2c(cc1C[NH+]1CCC(C[NH+]3CCCC3)CC1)OCCO2 ZINC000103143608 425937358 /nfs/dbraw/zinc/93/73/58/425937358.db2.gz UVVHYFWWXDKDFG-UHFFFAOYSA-N 2 0 316.445 2.766 20 0 DFADRP O=C(C[NH+]1CCC(C[NH+]2CCCCCC2)CC1)N1CCCCC1 ZINC000045806566 425862799 /nfs/dbraw/zinc/86/27/99/425862799.db2.gz JAALUTPBJZIAHB-UHFFFAOYSA-N 2 0 321.509 2.587 20 0 DFADRP C[N@H+](CCOc1cccc(Br)c1)C1CC[NH2+]CC1 ZINC000036300647 425845539 /nfs/dbraw/zinc/84/55/39/425845539.db2.gz XQZUDPITZDQBTN-UHFFFAOYSA-N 2 0 313.239 2.512 20 0 DFADRP CC[NH+]1CCN([C@@H](C)C[NH2+]Cc2cc(Cl)cs2)CC1 ZINC000193004941 268057156 /nfs/dbraw/zinc/05/71/56/268057156.db2.gz ZOZMWGKPRLETKT-LBPRGKRZSA-N 2 0 301.887 2.517 20 0 DFADRP COC(=O)[C@H]1CC[C@@H]([NH2+][C@H]2CCCN(Cc3ccccc3)C2)C1 ZINC000193874288 268082550 /nfs/dbraw/zinc/08/25/50/268082550.db2.gz ZEAWCRWHHUXERX-KSZLIROESA-N 2 0 316.445 2.582 20 0 DFADRP CC(C)(C)OC(=O)NCCC[NH2+]C1CC[NH+](C(C)(C)C)CC1 ZINC000223129919 268142341 /nfs/dbraw/zinc/14/23/41/268142341.db2.gz QDUWRTGBOWYBRL-UHFFFAOYSA-N 2 0 313.486 2.754 20 0 DFADRP CC[NH+]1CCC([NH2+]C[C@@H](C)CN(C)C(=O)OC(C)(C)C)CC1 ZINC000223447418 268142478 /nfs/dbraw/zinc/14/24/78/268142478.db2.gz NUMJTMHJUJUETO-CQSZACIVSA-N 2 0 313.486 2.563 20 0 DFADRP CC(C)[N@H+](C)Cc1cccc(CNC(=O)[C@]2(C)CCC[NH2+]C2)c1 ZINC000236664781 268148242 /nfs/dbraw/zinc/14/82/42/268148242.db2.gz NIVNRONQVGGCJL-LJQANCHMSA-N 2 0 317.477 2.533 20 0 DFADRP CC[C@H](C)[C@H]([NH3+])C(=O)N[C@H]1CCN(C)[C@@H]1c1ccc(Cl)cc1 ZINC000236916550 268152675 /nfs/dbraw/zinc/15/26/75/268152675.db2.gz OXXZDTVCHACCGS-VCOSZWKGSA-N 2 0 323.868 2.575 20 0 DFADRP C[NH+](C)[C@H](CNC(=O)[C@H]1CCCCCC[C@@H]1[NH3+])c1cccs1 ZINC000237199518 268154844 /nfs/dbraw/zinc/15/48/44/268154844.db2.gz VNFQKMYQGWSVTA-SOUVJXGZSA-N 2 0 323.506 2.765 20 0 DFADRP Cc1c(Cl)cccc1NC(=O)[C@@H](C)[NH+]1CCC(C[NH3+])CC1 ZINC000260366894 268168565 /nfs/dbraw/zinc/16/85/65/268168565.db2.gz CVMRBKDEAGLERE-GFCCVEGCSA-N 2 0 309.841 2.646 20 0 DFADRP C[N@@H+](CCc1ccc(Br)cc1)CC[C@H]1CC[NH2+]C1 ZINC000258861283 268168666 /nfs/dbraw/zinc/16/86/66/268168666.db2.gz ABYXBQIITMDLSC-CQSZACIVSA-N 2 0 311.267 2.923 20 0 DFADRP C[C@@H]1C[NH+](CCC2CC[NH+](Cc3ccccn3)CC2)C[C@@H](C)O1 ZINC000267422002 268181370 /nfs/dbraw/zinc/18/13/70/268181370.db2.gz WPQIXNVNDKKBJT-IAGOWNOFSA-N 2 0 317.477 2.793 20 0 DFADRP C[N@@H+](Cc1ccnn1-c1ccc(F)cc1)CC1CC[NH+](C)CC1 ZINC000279599745 268268702 /nfs/dbraw/zinc/26/87/02/268268702.db2.gz IIKNKFMFBJNNLI-UHFFFAOYSA-N 2 0 316.424 2.785 20 0 DFADRP CC[N@@H+]1CC[C@H](C[NH2+][C@@H](C)c2ccc(Br)nc2)C1 ZINC000289951597 268281399 /nfs/dbraw/zinc/28/13/99/268281399.db2.gz WOMCLDNRKBNZGY-NWDGAFQWSA-N 2 0 312.255 2.837 20 0 DFADRP CCN1CCCC[C@H]1C[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000298557532 268315119 /nfs/dbraw/zinc/31/51/19/268315119.db2.gz VMJVOQZRJVKRAY-SFHVURJKSA-N 2 0 302.466 2.514 20 0 DFADRP CC1(C)COC[C@@H]1[NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]12 ZINC000313123472 268339027 /nfs/dbraw/zinc/33/90/27/268339027.db2.gz STKYGTLNMPQHDT-MKXGPGLRSA-N 2 0 314.473 2.912 20 0 DFADRP Cn1cnc(CC[NH2+]Cc2sccc2Br)c1 ZINC000313271123 268339874 /nfs/dbraw/zinc/33/98/74/268339874.db2.gz CMWLNQCSPHAEKF-UHFFFAOYSA-N 2 0 300.225 2.576 20 0 DFADRP C[C@H](c1ccccc1Br)N1CCCO[C@@H](C[NH3+])C1 ZINC000313350231 268339960 /nfs/dbraw/zinc/33/99/60/268339960.db2.gz MBZQKVQFLDIUQY-NEPJUHHUSA-N 2 0 313.239 2.560 20 0 DFADRP C[C@@H]1C[C@H](C[N@@H+]2CCCN(Cc3ccccc3)CC2)CC[NH2+]1 ZINC000323764753 268350406 /nfs/dbraw/zinc/35/04/06/268350406.db2.gz XBJLYDWDPCLYJV-IEBWSBKVSA-N 2 0 301.478 2.582 20 0 DFADRP C[C@@H]1C[C@H](C[N@@H+]2CCC[C@@H](c3noc(C4CC4)n3)C2)CC[NH2+]1 ZINC000333187872 268381041 /nfs/dbraw/zinc/38/10/41/268381041.db2.gz UECNHGZSKCIIBF-UMVBOHGHSA-N 2 0 304.438 2.515 20 0 DFADRP C[N@@H+]1CCC[C@H]1CCN1CCC[NH+](Cc2ccc(F)cc2)CC1 ZINC000124802059 425939209 /nfs/dbraw/zinc/93/92/09/425939209.db2.gz FCGIZVRZIJTKET-IBGZPJMESA-N 2 0 319.468 2.818 20 0 DFADRP CC[C@@H](C(=O)Nc1cccc(C[NH+]2CCSCC2)c1)[NH+](C)C ZINC000125008623 425949607 /nfs/dbraw/zinc/94/96/07/425949607.db2.gz VTFXRSZHHBVERL-INIZCTEOSA-N 2 0 321.490 2.514 20 0 DFADRP CCN1CCC([NH2+]C2CCN(Cc3cccc(F)c3)CC2)CC1 ZINC000159258397 425957210 /nfs/dbraw/zinc/95/72/10/425957210.db2.gz AOBYRDIXIDDTPA-UHFFFAOYSA-N 3 0 319.468 2.864 20 0 DFADRP C[C@H]([NH2+]CCC[NH+](C)C)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000105782772 425968856 /nfs/dbraw/zinc/96/88/56/425968856.db2.gz VNFXWDGFQXMTKM-LSDHHAIUSA-N 2 0 313.486 2.563 20 0 DFADRP CC(C)[N@@H+]1CCCC[C@H]1C(=O)N1CCC([NH+]2CCC[C@@H]2C)CC1 ZINC000125418091 425970699 /nfs/dbraw/zinc/97/06/99/425970699.db2.gz FQAPGUSJBBXVRF-WMZOPIPTSA-N 2 0 321.509 2.725 20 0 DFADRP CC(C)[C@H]([NH2+]Cc1ccc(CN2CC[NH+](C)CC2)cc1)C1CC1 ZINC000126743039 426034903 /nfs/dbraw/zinc/03/49/03/426034903.db2.gz BLVWDROCYYUZGL-FQEVSTJZSA-N 2 0 315.505 2.958 20 0 DFADRP CC(=O)NC1CCC([NH2+]C2CC[NH+](CC3CCCC3)CC2)CC1 ZINC000161747313 426037501 /nfs/dbraw/zinc/03/75/01/426037501.db2.gz SECZALFXVOXNHF-UHFFFAOYSA-N 2 0 321.509 2.678 20 0 DFADRP Cn1ccnc1C[C@@H]1CCC[N@H+](CCC[NH+]2CCCCC2)C1 ZINC000162131515 426053241 /nfs/dbraw/zinc/05/32/41/426053241.db2.gz ATJWCASFQYCELR-KRWDZBQOSA-N 2 0 304.482 2.551 20 0 DFADRP Cc1nc(C(C)C)sc1[C@H](C)[NH2+]CCCN1CC[NH+](C)CC1 ZINC000162497924 426067190 /nfs/dbraw/zinc/06/71/90/426067190.db2.gz XBBOZFUZQJALIS-AWEZNQCLSA-N 2 0 324.538 2.863 20 0 DFADRP C[C@H](C[NH2+][C@H](C)c1cc2c(s1)CCCC2)N1CC[NH+](C)CC1 ZINC000127490904 426069554 /nfs/dbraw/zinc/06/95/54/426069554.db2.gz KNXQXZCLPXDSON-HUUCEWRRSA-N 2 0 321.534 2.913 20 0 DFADRP CCC[N@H+](C)C[C@H]1CCN(C(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC000075334741 426070892 /nfs/dbraw/zinc/07/08/92/426070892.db2.gz FLXQGLINPZIEMJ-QGZVFWFLSA-N 2 0 317.477 2.552 20 0 DFADRP COC[C@H]([NH2+][C@H]1CCN(Cc2ccccn2)C[C@H]1C)C(C)C ZINC000126276286 426013519 /nfs/dbraw/zinc/01/35/19/426013519.db2.gz RWPLOWRLFRTTQZ-NJAFHUGGSA-N 2 0 305.466 2.553 20 0 DFADRP C[N@@H+](CCc1ccc2c(c1)CCO2)CC[C@H]1CCCC[NH+]1C ZINC000075860427 426087862 /nfs/dbraw/zinc/08/78/62/426087862.db2.gz MSRJACBVHBZMTA-GOSISDBHSA-N 2 0 302.462 2.970 20 0 DFADRP Cc1ccc(C[C@H]([NH2+]C[C@H](C)N2CC[NH+](C)CC2)C2CC2)cc1 ZINC000127869702 426089788 /nfs/dbraw/zinc/08/97/88/426089788.db2.gz MPLKYKRHRZERQX-PXNSSMCTSA-N 2 0 315.505 2.542 20 0 DFADRP C[C@H]([NH2+]CCc1nccs1)c1cccc(OCC[NH+](C)C)c1 ZINC000127882902 426091226 /nfs/dbraw/zinc/09/12/26/426091226.db2.gz YGBXFYKARKZPDP-AWEZNQCLSA-N 2 0 319.474 2.977 20 0 DFADRP CC[N@@H+]1CC[C@@H](C[NH2+][C@@H](C)c2ccc(OCC[NH+](C)C)cc2)C1 ZINC000163217917 426094157 /nfs/dbraw/zinc/09/41/57/426094157.db2.gz HUBJROOUUKEGPK-IRXDYDNUSA-N 3 0 319.493 2.619 20 0 DFADRP CCC[C@H]([NH2+]CCC[N@@H+]1CCC[C@H](C(N)=O)C1)c1ccccc1 ZINC000127939764 426094322 /nfs/dbraw/zinc/09/43/22/426094322.db2.gz JHBHSODZJZERCE-ROUUACIJSA-N 2 0 317.477 2.705 20 0 DFADRP CC[C@H]([NH2+]C[C@@H]1CC[N@H+](CC)C1)c1ccc2c(c1)OCCO2 ZINC000163243145 426094495 /nfs/dbraw/zinc/09/44/95/426094495.db2.gz PBPFUOKIIRJQIC-HOCLYGCPSA-N 2 0 304.434 2.840 20 0 DFADRP C[C@H]([NH2+]CC1CC[NH+](CC(=O)NC(C)(C)C)CC1)C1CCCC1 ZINC000163542225 426103262 /nfs/dbraw/zinc/10/32/62/426103262.db2.gz KODSQRCQMDWGFF-HNNXBMFYSA-N 2 0 323.525 2.781 20 0 DFADRP C[C@@H]([NH2+]CCN1CCCCC1)c1ccc(OCC[NH+](C)C)cc1 ZINC000128215839 426106208 /nfs/dbraw/zinc/10/62/08/426106208.db2.gz PTXNDFNCIRIQBY-QGZVFWFLSA-N 2 0 319.493 2.764 20 0 DFADRP CC[NH+](CC)Cc1ccccc1C[NH2+][C@H]1CC[N@H+](C)C[C@@H]1C ZINC000163772380 426108534 /nfs/dbraw/zinc/10/85/34/426108534.db2.gz NACFLYWGMPKBOB-LPHOPBHVSA-N 3 0 303.494 2.958 20 0 DFADRP CC[NH+](CC)CCN(Cc1cccs1)C(=O)C[C@H]1CCC[NH2+]1 ZINC000163802925 426109222 /nfs/dbraw/zinc/10/92/22/426109222.db2.gz YQMDDPQTRCLQDT-OAHLLOKOSA-N 2 0 323.506 2.561 20 0 DFADRP CC(C)Oc1cccc([C@@H](O)C[NH2+][C@H]2CC[N@H+](C)[C@@H](C)C2)c1 ZINC000128266834 426110431 /nfs/dbraw/zinc/11/04/31/426110431.db2.gz SFKIFWLRPPXFCT-ZVZYQTTQSA-N 2 0 306.450 2.580 20 0 DFADRP COc1ccc([C@@H](C)[NH2+]CCCN2CCC[N@H+](C)CC2)cc1F ZINC000128303228 426111662 /nfs/dbraw/zinc/11/16/62/426111662.db2.gz AUXJIGDYNCASDG-OAHLLOKOSA-N 2 0 323.456 2.513 20 0 DFADRP CCCC[N@H+](C)CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000076428562 426112512 /nfs/dbraw/zinc/11/25/12/426112512.db2.gz QTHRFHHHBHZPKG-UHFFFAOYSA-N 2 0 317.477 2.631 20 0 DFADRP CC1CC[NH+](Cc2ccc(NC(=O)[C@H]3CCC[NH2+]C3)cc2)CC1 ZINC000164557543 426115388 /nfs/dbraw/zinc/11/53/88/426115388.db2.gz HAWBVPAKSNFOIK-KRWDZBQOSA-N 2 0 315.461 2.857 20 0 DFADRP C[NH2+]C[C@H](C)C(=O)NCc1ccccc1C[N@@H+]1CCCC[C@H]1C ZINC000164591435 426115545 /nfs/dbraw/zinc/11/55/45/426115545.db2.gz SIOOCALZYRIRRB-JKSUJKDBSA-N 2 0 317.477 2.533 20 0 DFADRP COC[C@H]([NH2+][C@@H](C)c1cccc(OCC[NH+](C)C)c1)C(C)C ZINC000165898209 426124071 /nfs/dbraw/zinc/12/40/71/426124071.db2.gz MTXVDNRCQGKNMS-YJBOKZPZSA-N 2 0 308.466 2.949 20 0 DFADRP O=C(CC1CC[NH2+]CC1)Nc1ccc(CC[NH+]2CCCC2)cc1 ZINC000165923490 426124650 /nfs/dbraw/zinc/12/46/50/426124650.db2.gz BQZKTJASURTXCH-UHFFFAOYSA-N 2 0 315.461 2.653 20 0 DFADRP CCO[C@@H](CC[NH+](C)C)C[NH2+][C@@H](C)c1ccc(F)cc1F ZINC000165965602 426124928 /nfs/dbraw/zinc/12/49/28/426124928.db2.gz XDZKPFAWFGBEGC-JSGCOSHPSA-N 2 0 300.393 2.972 20 0 DFADRP CCC(CC)C(=O)N1CCC([NH2+][C@@H]2C[C@H](C)[N@H+](C)C[C@@H]2C)CC1 ZINC000166057587 426125867 /nfs/dbraw/zinc/12/58/67/426125867.db2.gz JRFDZEOIIHPICE-RLFYNMQTSA-N 2 0 323.525 2.732 20 0 DFADRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@H](C)c1cc(F)cc(F)c1 ZINC000166004658 426126079 /nfs/dbraw/zinc/12/60/79/426126079.db2.gz BAXICSDNZRGBQE-MLGOLLRUSA-N 2 0 300.393 2.972 20 0 DFADRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@@H]1CSCCc2ccccc21 ZINC000166034870 426126175 /nfs/dbraw/zinc/12/61/75/426126175.db2.gz BGUXCACYTURKPE-SJLPKXTDSA-N 2 0 322.518 2.963 20 0 DFADRP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1N[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000166330742 426127009 /nfs/dbraw/zinc/12/70/09/426127009.db2.gz IYVWDGMMYJXDNR-RAUXBKROSA-N 2 0 315.505 2.969 20 0 DFADRP CC[NH+](CC)[C@@H](CNC(=O)[C@@]1(CC)CCC[NH2+]1)c1ccccc1 ZINC000128688068 426129347 /nfs/dbraw/zinc/12/93/47/426129347.db2.gz PETJOLUBBVHKNB-PKOBYXMFSA-N 2 0 317.477 2.718 20 0 DFADRP CC[NH+]1CCC(C[NH2+]Cc2cncc(Br)c2)CC1 ZINC000166886225 426129790 /nfs/dbraw/zinc/12/97/90/426129790.db2.gz YLBRFMBHOYFHNG-UHFFFAOYSA-N 2 0 312.255 2.666 20 0 DFADRP COc1cccc(N2CCC[C@@H]([NH2+][C@H]3CCN(C)C[C@H]3C)C2)c1 ZINC000128792776 426133379 /nfs/dbraw/zinc/13/33/79/426133379.db2.gz DOHBTVCYGXGPRG-MDZRGWNJSA-N 2 0 317.477 2.594 20 0 DFADRP CCCCC[N@H+](CC(=O)NC1CC[NH+](C(C)C)CC1)C(C)C ZINC000114455121 426136076 /nfs/dbraw/zinc/13/60/76/426136076.db2.gz XPDOHVREAJJEOV-UHFFFAOYSA-N 2 0 311.514 2.876 20 0 DFADRP C[N@H+](CCCN[C@H]1CC[NH+]2CCC[C@@H]2C1)Cc1ccccc1 ZINC000127692260 426080541 /nfs/dbraw/zinc/08/05/41/426080541.db2.gz UNXVRGYAUKRFQB-RBUKOAKNSA-N 2 0 301.478 2.725 20 0 DFADRP CC[NH+](CC)CC(=O)N1CCN([C@H](C)c2ccccc2C)CC1 ZINC000127731619 426082148 /nfs/dbraw/zinc/08/21/48/426082148.db2.gz JFBKKJPYQZXOBX-QGZVFWFLSA-N 2 0 317.477 2.542 20 0 DFADRP CCC[N@H+](C)CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000170644008 426141943 /nfs/dbraw/zinc/14/19/43/426141943.db2.gz PJWHNVWLURULKJ-UHFFFAOYSA-N 2 0 321.490 2.516 20 0 DFADRP CCC[N@H+](C)C[C@@H]1CC[NH+](CCC(=O)N(C)c2ccccc2)C1 ZINC000135120362 426206811 /nfs/dbraw/zinc/20/68/11/426206811.db2.gz GIGWQZZOKYNPRQ-KRWDZBQOSA-N 2 0 317.477 2.703 20 0 DFADRP CC[NH+](Cc1ccc(C(=O)NCC[N@@H+](C)CC)cc1)C(C)C ZINC000078678905 426180762 /nfs/dbraw/zinc/18/07/62/426180762.db2.gz GOZLFCZGDOLKNO-UHFFFAOYSA-N 2 0 305.466 2.598 20 0 DFADRP CC1=CCC[C@@H](C)[C@@H]1C[NH2+]CC1CC[NH+](CCN(C)C)CC1 ZINC000134155663 426186099 /nfs/dbraw/zinc/18/60/99/426186099.db2.gz POMMPOCRGLWIMN-IEBWSBKVSA-N 2 0 307.526 2.842 20 0 DFADRP C[N@@H+](Cc1ccccc1)CC1CC[NH+](CCn2cccn2)CC1 ZINC000171384288 426187683 /nfs/dbraw/zinc/18/76/83/426187683.db2.gz BDEMELFHBINDNS-UHFFFAOYSA-N 2 0 312.461 2.727 20 0 DFADRP C[N@@H+](Cc1cncc(Br)c1)CC1CC[NH+](C)CC1 ZINC000134891310 426197922 /nfs/dbraw/zinc/19/79/22/426197922.db2.gz QBEGBVYNEWLNTJ-UHFFFAOYSA-N 2 0 312.255 2.618 20 0 DFADRP O[C@H](Cc1ccccc1)C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000134911148 426199147 /nfs/dbraw/zinc/19/91/47/426199147.db2.gz FVYGLUJEYNXFLD-MISYRCLQSA-N 2 0 314.473 2.539 20 0 DFADRP CCOC(=O)CCCC[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000134902150 426199298 /nfs/dbraw/zinc/19/92/98/426199298.db2.gz NBVRKNDZOYINQE-NVXWUHKLSA-N 2 0 308.466 2.669 20 0 DFADRP C[C@H]1CC[N@H+](Cc2cccc3c2OCCO3)C[C@@H]1n1ccnc1 ZINC000136085603 426234658 /nfs/dbraw/zinc/23/46/58/426234658.db2.gz KZYTVGHAZLNCFC-HOCLYGCPSA-N 2 0 313.401 2.737 20 0 DFADRP CC1CC[NH+](CC(=O)NCCCC[N@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC000136171752 426237254 /nfs/dbraw/zinc/23/72/54/426237254.db2.gz KTZHZBSISMKLAA-HDICACEKSA-N 2 0 323.525 2.593 20 0 DFADRP CCc1ccc(NC(=O)C[NH+]2CCC(CC[NH+](C)C)CC2)cc1 ZINC000118868671 426249612 /nfs/dbraw/zinc/24/96/12/426249612.db2.gz IVERLANHHOFNPB-UHFFFAOYSA-N 2 0 317.477 2.851 20 0 DFADRP C[NH+](C)CCN1CCC([NH2+][C@H](Cc2ccccc2)C2CC2)CC1 ZINC000150949966 426269147 /nfs/dbraw/zinc/26/91/47/426269147.db2.gz IWQZMWXYMZVXAP-HXUWFJFHSA-N 2 0 315.505 2.623 20 0 DFADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1[NH2+]Cc1ccccc1Cn1cccn1 ZINC000119251736 426272151 /nfs/dbraw/zinc/27/21/51/426272151.db2.gz HKHQSYMSJARPNQ-GJYPPUQNSA-N 2 0 312.461 2.750 20 0 DFADRP C[C@@H]1C[N@@H+](CCCC[NH2+]Cc2cccnc2Cl)C[C@H](C)O1 ZINC000171763428 426210203 /nfs/dbraw/zinc/21/02/03/426210203.db2.gz AJBMMSAVLZNHQC-OKILXGFUSA-N 2 0 311.857 2.714 20 0 DFADRP Cc1cc(NC(=O)N[C@H]2CC[N@H+](CC3CCCC3)C2)ccn1 ZINC000119483749 426292676 /nfs/dbraw/zinc/29/26/76/426292676.db2.gz KTTFSGQXGPPATK-INIZCTEOSA-N 2 0 302.422 2.776 20 0 DFADRP CC(C)(C)OC(=O)[C@@H]1CCCN(CCC[NH+]2CCCCC2)C1 ZINC000119513625 426293713 /nfs/dbraw/zinc/29/37/13/426293713.db2.gz CPVOSVUPNQEYGC-MRXNPFEDSA-N 2 0 310.482 2.916 20 0 DFADRP COC(=O)c1ccc(CN(C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)cc1F ZINC000151664340 426307060 /nfs/dbraw/zinc/30/70/60/426307060.db2.gz NFEYTVSVUKJWOT-GXTWGEPZSA-N 2 0 308.397 2.527 20 0 DFADRP C[C@@H]1CCc2c(F)cccc2[C@@H]1[NH2+]CC1CC[NH+](CCO)CC1 ZINC000151794653 426311977 /nfs/dbraw/zinc/31/19/77/426311977.db2.gz JUZIMCFZYMWCPH-AUUYWEPGSA-N 2 0 320.452 2.743 20 0 DFADRP C[C@@H]([NH2+]CC1CC[NH+](CCO)CC1)c1cc2c(s1)CCC2 ZINC000151842792 426314893 /nfs/dbraw/zinc/31/48/93/426314893.db2.gz NBAGVFSWXHIYLV-CYBMUJFWSA-N 2 0 308.491 2.592 20 0 DFADRP C[C@H]([NH2+]CC1CC[NH+](CCO)CC1)c1ccc2c(c1)CCCC2 ZINC000151870801 426317019 /nfs/dbraw/zinc/31/70/19/426317019.db2.gz OEJPHCPAMMNNKZ-INIZCTEOSA-N 2 0 316.489 2.920 20 0 DFADRP c1c(CC[NH2+][C@@H]2[C@H]3CCO[C@@H]3C23CCCC3)nc2n1CCCC2 ZINC000121188952 426323317 /nfs/dbraw/zinc/32/33/17/426323317.db2.gz JWUQMGSDGKALQY-NXHRZFHOSA-N 2 0 315.461 2.699 20 0 DFADRP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]CC1(c2ccc(F)cc2)CCOCC1 ZINC000152054373 426324496 /nfs/dbraw/zinc/32/44/96/426324496.db2.gz HQPHASQCOHVLMF-QAPCUYQASA-N 2 0 320.452 2.804 20 0 DFADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1[NH2+]CCCn1cnc2ccccc21 ZINC000121238563 426327218 /nfs/dbraw/zinc/32/72/18/426327218.db2.gz BGMOXBHYTJEGEV-VYDXJSESSA-N 2 0 300.450 2.745 20 0 DFADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1NCCC[NH+](C)Cc1ccccc1 ZINC000121233321 426327898 /nfs/dbraw/zinc/32/78/98/426327898.db2.gz QNYGDPVGWWAIBM-LMMKCTJWSA-N 2 0 303.494 2.827 20 0 DFADRP C[C@@H]1C[NH+](CCC2CC[NH+](C/C=C/Cl)CC2)C[C@@H](C)O1 ZINC000175797553 426329677 /nfs/dbraw/zinc/32/96/77/426329677.db2.gz WXOZYPUKDCPWJN-LPRNFTRESA-N 2 0 300.874 2.950 20 0 DFADRP C[C@@H]1C[N@H+](Cc2ccccc2)CCN1CC[C@@H]1CCC[NH+]1C ZINC000121365278 426337746 /nfs/dbraw/zinc/33/77/46/426337746.db2.gz YSPSOPZFQDKLMQ-MJGOQNOKSA-N 2 0 301.478 2.677 20 0 DFADRP CCC[N@@H+]1CC[C@@H](C[NH2+][C@@H](C)c2ccc3c(c2)OCCO3)C1 ZINC000151119452 426279935 /nfs/dbraw/zinc/27/99/35/426279935.db2.gz XYJUZHAIFYSHKT-GJZGRUSLSA-N 2 0 304.434 2.840 20 0 DFADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1[NH2+]Cc1ccc(-n2ccnc2)c(F)c1 ZINC000153652452 426397385 /nfs/dbraw/zinc/39/73/85/426397385.db2.gz WHQOIFBNODZXPS-KEYYUXOJSA-N 2 0 316.424 2.830 20 0 DFADRP COC(=O)[C@@H](C)C[N@H+](Cc1ccc(-n2ccnc2)cc1)C1CC1 ZINC000153742524 426403238 /nfs/dbraw/zinc/40/32/38/426403238.db2.gz DPAFSEAFAXFJJT-AWEZNQCLSA-N 2 0 313.401 2.646 20 0 DFADRP C[C@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000176004054 426345735 /nfs/dbraw/zinc/34/57/35/426345735.db2.gz KSRXYVPEWIMOJJ-YOEHRIQHSA-N 2 0 318.465 2.552 20 0 DFADRP C[C@@H]1CCCC[N@@H+]1CCC1CC[NH+](C[C@H](O)C(F)(F)F)CC1 ZINC000121496369 426347042 /nfs/dbraw/zinc/34/70/42/426347042.db2.gz FXSUCOZYZWFAEA-HIFRSBDPSA-N 2 0 322.415 2.886 20 0 DFADRP C[C@@H]([NH2+][C@@H](C)[C@@H]1CCCO1)c1cccc(OCC[NH+](C)C)c1 ZINC000152872007 426358863 /nfs/dbraw/zinc/35/88/63/426358863.db2.gz ODWZVIGGCGQRSF-VKJFTORMSA-N 2 0 306.450 2.845 20 0 DFADRP COCC[N@H+](C)CCC[NH2+][C@H](C)c1cnc2ccsc2c1 ZINC000153776229 426405681 /nfs/dbraw/zinc/40/56/81/426405681.db2.gz IGRMACQNKFTJAN-CYBMUJFWSA-N 2 0 307.463 2.915 20 0 DFADRP CC(C)c1cccc2c1OCCC[C@@H]2NC[C@H](O)C[NH+](C)C ZINC000122306172 426367466 /nfs/dbraw/zinc/36/74/66/426367466.db2.gz QCYLSZMPDDAWOI-YOEHRIQHSA-N 2 0 306.450 2.536 20 0 DFADRP C[C@H]1C[C@H](NCc2ccnc(OC3CCCC3)c2)CC[N@@H+]1C ZINC000153333749 426380729 /nfs/dbraw/zinc/38/07/29/426380729.db2.gz IOYCAXGECWTCIQ-GOEBONIOSA-N 2 0 303.450 2.975 20 0 DFADRP FC(F)(F)CCCC[N@@H+]1CCC[C@H](CN2CCOCC2)C1 ZINC000153520818 426390107 /nfs/dbraw/zinc/39/01/07/426390107.db2.gz RRIPQUKMMRXGPG-AWEZNQCLSA-N 2 0 308.388 2.763 20 0 DFADRP Cc1cc(C)n(CC2CC[NH+](CCC[NH+]3CCCC3)CC2)n1 ZINC000153574577 426392521 /nfs/dbraw/zinc/39/25/21/426392521.db2.gz IQICTOHUCITTIQ-UHFFFAOYSA-N 2 0 304.482 2.698 20 0 DFADRP COC(=O)c1cc(C[NH+]2CCC(CCC[NH+](C)C)CC2)oc1C ZINC000123108670 426413908 /nfs/dbraw/zinc/41/39/08/426413908.db2.gz KUIILFZVGPYLNS-UHFFFAOYSA-N 2 0 322.449 2.928 20 0 DFADRP CC(C)CCNC(=O)[C@H](C)[NH+]1CCC(CCC[NH+](C)C)CC1 ZINC000123203903 426420304 /nfs/dbraw/zinc/42/03/04/426420304.db2.gz KZGCJHFPZBZOJY-INIZCTEOSA-N 2 0 311.514 2.591 20 0 DFADRP Cc1cccc(NC(=O)C[NH+]2CCC(CCC[NH+](C)C)CC2)c1 ZINC000123205854 426420710 /nfs/dbraw/zinc/42/07/10/426420710.db2.gz RFYCYMBFPGEBDP-UHFFFAOYSA-N 2 0 317.477 2.987 20 0 DFADRP CCC[C@H](C)NC(=O)[C@H](C)[NH+]1CCC(CCC[NH+](C)C)CC1 ZINC000123271991 426423392 /nfs/dbraw/zinc/42/33/92/426423392.db2.gz WHIGKGUGSGUZNB-HOTGVXAUSA-N 2 0 311.514 2.734 20 0 DFADRP CC[NH+]1CCN(CCC[NH2+][C@H](Cc2ccccc2)C2CC2)CC1 ZINC000154225483 426431288 /nfs/dbraw/zinc/43/12/88/426431288.db2.gz WDVIKRFAEWIPTG-HXUWFJFHSA-N 2 0 315.505 2.625 20 0 DFADRP CCc1ccc([C@@H](C)[NH2+]CCCN2CC[NH+](CC)CC2)cc1 ZINC000154231111 426431310 /nfs/dbraw/zinc/43/13/10/426431310.db2.gz RRXMKOOHRBSEKQ-QGZVFWFLSA-N 2 0 303.494 2.927 20 0 DFADRP CC[NH+]1CCN(CCC[NH2+][C@@H](C)c2ccc(F)cc2F)CC1 ZINC000154249977 426432677 /nfs/dbraw/zinc/43/26/77/426432677.db2.gz VTKOBKDWFAWQHP-AWEZNQCLSA-N 2 0 311.420 2.643 20 0 DFADRP CC[NH+]1CCN(CCC[NH2+][C@H]2CCCc3ccccc32)CC1 ZINC000154312067 426435410 /nfs/dbraw/zinc/43/54/10/426435410.db2.gz QOJCXGYHUPFSSF-IBGZPJMESA-N 2 0 301.478 2.681 20 0 DFADRP CCN1CC[NH+](CCCC[NH2+][C@@H]2CCc3ccccc32)CC1 ZINC000154468813 426441213 /nfs/dbraw/zinc/44/12/13/426441213.db2.gz MODJDXICIMUSJH-LJQANCHMSA-N 2 0 301.478 2.681 20 0 DFADRP CCN1CC[NH+](CCCC[NH2+][C@@H](C)c2ccccc2OC)CC1 ZINC000154480088 426442734 /nfs/dbraw/zinc/44/27/34/426442734.db2.gz YWBFSOGFGPZZNB-KRWDZBQOSA-N 2 0 319.493 2.764 20 0 DFADRP CCN1CC[NH+](CCCC[NH2+][C@@H](C)c2ccc(OC)cc2)CC1 ZINC000154528829 426443975 /nfs/dbraw/zinc/44/39/75/426443975.db2.gz FXMPKJGDFKWODW-KRWDZBQOSA-N 2 0 319.493 2.764 20 0 DFADRP COCC[N@H+](CCCOc1ccc(F)cc1)C[C@@]1(C)CC[NH2+]C1 ZINC000340714177 269003130 /nfs/dbraw/zinc/00/31/30/269003130.db2.gz REOWMXHIRGZUTE-SFHVURJKSA-N 2 0 324.440 2.543 20 0 DFADRP COC(=O)c1oc([C@H](C)[NH+]2CCC(C[NH+](C)C)CC2)cc1C ZINC000340762992 269008405 /nfs/dbraw/zinc/00/84/05/269008405.db2.gz DJSJOJHCAJGSGW-ZDUSSCGKSA-N 2 0 308.422 2.709 20 0 DFADRP C[NH+](C)Cc1cccc(C[NH2+]C2CCN(CC(F)F)CC2)c1 ZINC000123650698 426446647 /nfs/dbraw/zinc/44/66/47/426446647.db2.gz CJYRIHNEIMSPIY-UHFFFAOYSA-N 2 0 311.420 2.567 20 0 DFADRP CCCCN(CCCC)C(=O)C[NH+]1CCC(C[NH+](C)C)CC1 ZINC000341164738 269050980 /nfs/dbraw/zinc/05/09/80/269050980.db2.gz ALVDFDHEGPMUEV-UHFFFAOYSA-N 2 0 311.514 2.689 20 0 DFADRP c1ccc(CN2CCC([NH2+]CCC[NH+]3CCCCC3)CC2)nc1 ZINC000341443699 269078200 /nfs/dbraw/zinc/07/82/00/269078200.db2.gz WDKZHBDAMQTJMC-UHFFFAOYSA-N 2 0 316.493 2.512 20 0 DFADRP CN(C)c1ccccc1C[N@@H+]1CCC[C@@H](Cc2nccn2C)C1 ZINC000123778204 426452801 /nfs/dbraw/zinc/45/28/01/426452801.db2.gz XBEBQDFPGAXOFL-INIZCTEOSA-N 2 0 312.461 2.941 20 0 DFADRP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@H](C)c1ccc(Cl)s1 ZINC000154939052 426460169 /nfs/dbraw/zinc/46/01/69/426460169.db2.gz DXTZYCMRTJOCFI-VXGBXAGGSA-N 2 0 301.887 2.688 20 0 DFADRP CC[N@@H+]1CC[C@H](C[NH2+][C@@H]2CCCN(Cc3ccccc3)C2)C1 ZINC000124167037 426473748 /nfs/dbraw/zinc/47/37/48/426473748.db2.gz YNDVWOWOSZUSLX-RTBURBONSA-N 2 0 301.478 2.582 20 0 DFADRP C[C@H](c1ccc(F)cc1)[N@H+](C)CCN(C)C1CC[NH+](C)CC1 ZINC000177378471 426474067 /nfs/dbraw/zinc/47/40/67/426474067.db2.gz LEOPSXCVEMBJOP-OAHLLOKOSA-N 2 0 307.457 2.845 20 0 DFADRP CCCOc1cccc(C[NH2+][C@@H](C)CCN2CCOCC2)c1 ZINC000124220768 426475259 /nfs/dbraw/zinc/47/52/59/426475259.db2.gz DDKYBVJJPPNMQZ-INIZCTEOSA-N 2 0 306.450 2.676 20 0 DFADRP CC(C)c1ccc(NC(=O)C[N@H+](C)CCCn2ccnc2)cc1 ZINC000124239421 426476495 /nfs/dbraw/zinc/47/64/95/426476495.db2.gz KRPWMYHVVSTRQO-UHFFFAOYSA-N 2 0 314.433 2.967 20 0 DFADRP C[C@@H](C(=O)NC1CC[NH+](C(C)(C)C)CC1)[NH+]1[C@H](C)CC[C@H]1C ZINC000101648908 426485489 /nfs/dbraw/zinc/48/54/89/426485489.db2.gz AIDROUOLONDNSG-KFWWJZLASA-N 2 0 309.498 2.627 20 0 DFADRP CC[NH+]1CCC(N[C@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000272368570 426509679 /nfs/dbraw/zinc/50/96/79/426509679.db2.gz UIUYJMRREDYNDA-MJGOQNOKSA-N 2 0 315.505 2.971 20 0 DFADRP CCOC(=O)N1CC[C@H]([NH2+]C2CC[NH+](C3CCCCC3)CC2)C1 ZINC000186445590 426528937 /nfs/dbraw/zinc/52/89/37/426528937.db2.gz COOSGEMRNPQKOY-INIZCTEOSA-N 2 0 323.481 2.604 20 0 DFADRP CC[C@H](c1ccccc1)[NH+]1CCC(C(=O)NCC[NH+](C)C)CC1 ZINC000195519341 426535087 /nfs/dbraw/zinc/53/50/87/426535087.db2.gz FXXLQODHSJNJEB-GOSISDBHSA-N 2 0 317.477 2.528 20 0 DFADRP CC(C)[NH+]1CCC([NH2+]CCc2nn(C)c3ccccc23)CC1 ZINC000186483402 426536155 /nfs/dbraw/zinc/53/61/55/426536155.db2.gz BYAGBIYGRFJMBN-UHFFFAOYSA-N 2 0 300.450 2.578 20 0 DFADRP C/C=C/C[C@@H](CO)[NH2+][C@H](C)c1cccc(OCC[NH+](C)C)c1 ZINC000186491788 426537364 /nfs/dbraw/zinc/53/73/64/426537364.db2.gz WGVLVCPONYWKJS-HEDFYIJFSA-N 2 0 306.450 2.605 20 0 DFADRP Cc1nccn1CC[NH2+][C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272485136 426537779 /nfs/dbraw/zinc/53/77/79/426537779.db2.gz MMCKRRFTYYELSL-LPHOPBHVSA-N 2 0 312.461 2.692 20 0 DFADRP CCO[C@@H]1C[C@@H]([NH2+]CC[C@@H](C)[NH+]2CCCCC2)C12CCOCC2 ZINC000186502494 426539581 /nfs/dbraw/zinc/53/95/81/426539581.db2.gz OOTRVGDMMUUDFR-KZNAEPCWSA-N 2 0 324.509 2.815 20 0 DFADRP Cc1ccc2c(c1)[C@H]([NH2+][C@@H](C)CCN1CC[NH+](C)CC1)CC2 ZINC000186576397 426555093 /nfs/dbraw/zinc/55/50/93/426555093.db2.gz URNNARNLFDFMBC-QFBILLFUSA-N 2 0 301.478 2.598 20 0 DFADRP C/C=C/C[C@H](CO)[NH2+][C@H](C)c1ccc(OCC[NH+](C)C)cc1 ZINC000186520558 426542854 /nfs/dbraw/zinc/54/28/54/426542854.db2.gz SYRNESPKDRJTMQ-AMFYOEQGSA-N 2 0 306.450 2.605 20 0 DFADRP CC[C@H]([NH2+][C@H](C)CCN1CC[NH+](C)CC1)c1ccc(OC)cc1 ZINC000186567979 426552790 /nfs/dbraw/zinc/55/27/90/426552790.db2.gz JUMJRUQGQXXFHM-APWZRJJASA-N 2 0 319.493 2.762 20 0 DFADRP COCCCC[NH+]1CCC(CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000177494125 426489481 /nfs/dbraw/zinc/48/94/81/426489481.db2.gz MNWKYKQYKVGXLG-CALCHBBNSA-N 2 0 312.498 2.624 20 0 DFADRP CC[NH+]1CCN(CCC[NH2+][C@@H](C)c2csc(C(C)C)n2)CC1 ZINC000186242943 426497121 /nfs/dbraw/zinc/49/71/21/426497121.db2.gz QUVXUUIZPRFPGJ-HNNXBMFYSA-N 2 0 324.538 2.945 20 0 DFADRP C[C@H](CCC1CC1)[NH2+]Cc1ccnc(N2CC[NH+](C)CC2)c1 ZINC000186250072 426497799 /nfs/dbraw/zinc/49/77/99/426497799.db2.gz CWIGNLKJDXRDGE-OAHLLOKOSA-N 2 0 302.466 2.502 20 0 DFADRP CC(C)[C@@](C)(O)C[NH2+][C@H](C)c1cccc(OCC[NH+](C)C)c1 ZINC000178116593 426574245 /nfs/dbraw/zinc/57/42/45/426574245.db2.gz OYQZLRNZCIGZMT-QAPCUYQASA-N 2 0 308.466 2.685 20 0 DFADRP C[NH+](C)C[C@H]1CC[N@H+](CCC(=O)Nc2ccc(Cl)cc2)C1 ZINC000265106322 426582507 /nfs/dbraw/zinc/58/25/07/426582507.db2.gz AWAKBJOZQPTXRE-CYBMUJFWSA-N 2 0 309.841 2.552 20 0 DFADRP COc1ccc([C@H](C)[NH2+]CCCN2CCC[N@H+](C)CC2)cc1C ZINC000273053646 426584229 /nfs/dbraw/zinc/58/42/29/426584229.db2.gz KFAYQOOPNXKOJA-KRWDZBQOSA-N 2 0 319.493 2.682 20 0 DFADRP COCCOCc1ccc(C[N@H+](C)C[C@H]2CCC[NH+](C)C2)cc1 ZINC000289113780 426585392 /nfs/dbraw/zinc/58/53/92/426585392.db2.gz NEAJJLHAEGVFIV-IBGZPJMESA-N 2 0 320.477 2.623 20 0 DFADRP Cc1cc(C[N@@H+](C)CC2CC[NH+](C[C@H](C)O)CC2)cc(C)c1O ZINC000289294773 426621494 /nfs/dbraw/zinc/62/14/94/426621494.db2.gz HMKJIKBVEMNLQJ-INIZCTEOSA-N 2 0 320.477 2.534 20 0 DFADRP C[C@@H](NC[C@@H](C1CC1)[N@H+](C)Cc1ccccc1)c1nccn1C ZINC000186876474 426602650 /nfs/dbraw/zinc/60/26/50/426602650.db2.gz YWKOHEMOBWHWSY-QAPCUYQASA-N 2 0 312.461 2.981 20 0 DFADRP CCC(C)(C)[NH2+][C@H](C)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000273198749 426613621 /nfs/dbraw/zinc/61/36/21/426613621.db2.gz IIAOWAKCNOFEGH-NVXWUHKLSA-N 2 0 317.477 2.544 20 0 DFADRP C[C@H](CCc1ccccc1F)[NH2+][C@H](C)CCN1CC[NH+](C)CC1 ZINC000186574812 426555612 /nfs/dbraw/zinc/55/56/12/426555612.db2.gz JPIJGSRYIHPNOQ-IAGOWNOFSA-N 2 0 321.484 2.762 20 0 DFADRP C[C@H]([NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]12)c1cnn(C)c1 ZINC000272562493 426558143 /nfs/dbraw/zinc/55/81/43/426558143.db2.gz NXDIRDIXOXFNFD-JQERWDHBSA-N 2 0 324.472 2.981 20 0 DFADRP C[C@@H]([NH2+]CCNc1ccccn1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272564262 426560636 /nfs/dbraw/zinc/56/06/36/426560636.db2.gz HANSSEMDMWMTBB-IEBWSBKVSA-N 2 0 324.472 2.994 20 0 DFADRP C[C@H]([NH2+]CCNc1ccccn1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272564258 426560814 /nfs/dbraw/zinc/56/08/14/426560814.db2.gz HANSSEMDMWMTBB-HKUYNNGSSA-N 2 0 324.472 2.994 20 0 DFADRP CCCC(=O)NC[C@H]1CCC[N@H+](CCCc2cnccc2C)C1 ZINC000289344354 426631752 /nfs/dbraw/zinc/63/17/52/426631752.db2.gz MGXQPCDZKOJVAN-QGZVFWFLSA-N 2 0 317.477 2.951 20 0 DFADRP CCCC(=O)NC[C@@H]1CCC[N@H+](CCCc2cnccc2C)C1 ZINC000289344353 426632482 /nfs/dbraw/zinc/63/24/82/426632482.db2.gz MGXQPCDZKOJVAN-KRWDZBQOSA-N 2 0 317.477 2.951 20 0 DFADRP CCC[N@H+](CC1CC[NH2+]CC1)[C@H](C)C(=O)Nc1ccccc1 ZINC000236972301 426686188 /nfs/dbraw/zinc/68/61/88/426686188.db2.gz YTNNSRQBRUIESK-OAHLLOKOSA-N 2 0 303.450 2.725 20 0 DFADRP C[C@@H]([NH2+]CCc1cscn1)c1cccc(OCC[NH+](C)C)c1 ZINC000178472308 426636571 /nfs/dbraw/zinc/63/65/71/426636571.db2.gz KSCGJFWVXVDGKG-CQSZACIVSA-N 2 0 319.474 2.977 20 0 DFADRP CC(C)C(=O)Nc1ccc(C[NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)cc1 ZINC000178477957 426637216 /nfs/dbraw/zinc/63/72/16/426637216.db2.gz HJLJIAXDPDAXIR-PBHICJAKSA-N 2 0 303.450 2.853 20 0 DFADRP CCC[N@@H+]1CC[C@@H](C[NH2+][C@@H](C)c2ccc([S@](C)=O)cc2)C1 ZINC000178511079 426646186 /nfs/dbraw/zinc/64/61/86/426646186.db2.gz HXBYOIBAEXOJHZ-GXZWQRSESA-N 2 0 308.491 2.807 20 0 DFADRP C[C@H](O)C[NH+]1CCC(C[N@H+](C)Cc2cc3ccccc3o2)CC1 ZINC000178529925 426647638 /nfs/dbraw/zinc/64/76/38/426647638.db2.gz NVGCAMCIEJIPFK-HNNXBMFYSA-N 2 0 316.445 2.957 20 0 DFADRP COc1ccc(CN(C)[C@H]2CCC[NH2+]CC2)c(Cl)c1OC ZINC000231465028 426651736 /nfs/dbraw/zinc/65/17/36/426651736.db2.gz QRRKPFDQLMUECE-ZDUSSCGKSA-N 2 0 312.841 2.931 20 0 DFADRP C[NH+]1CCN(CCC[NH2+][C@H]2CCCc3c(Cl)cccc32)CC1 ZINC000273374732 426654075 /nfs/dbraw/zinc/65/40/75/426654075.db2.gz GYRVLADBPLVPEH-SFHVURJKSA-N 2 0 321.896 2.945 20 0 DFADRP C[C@]1(C[NH3+])CCN(Cc2cc(F)cc(Br)c2)C1 ZINC000235707837 426661550 /nfs/dbraw/zinc/66/15/50/426661550.db2.gz HQZRQJRJQDICME-CYBMUJFWSA-N 2 0 301.203 2.759 20 0 DFADRP CC(C)[C@H](C[NH2+]Cc1cccc2cc[nH]c21)N1CC[NH+](C)CC1 ZINC000236682150 426675178 /nfs/dbraw/zinc/67/51/78/426675178.db2.gz VRRMTHXVEHYJCL-SFHVURJKSA-N 2 0 314.477 2.530 20 0 DFADRP C[C@@H]1CCC[N@H+](Cc2ccc(CNC(=O)CC(C)(C)[NH3+])cc2)C1 ZINC000178690624 426676183 /nfs/dbraw/zinc/67/61/83/426676183.db2.gz WZSPPQNYUHZDLO-OAHLLOKOSA-N 2 0 317.477 2.662 20 0 DFADRP CC(C)[C@@H](C[NH2+]Cc1cccc2[nH]ccc21)N1CC[NH+](C)CC1 ZINC000236698713 426677127 /nfs/dbraw/zinc/67/71/27/426677127.db2.gz RDCDAHLJBZBBAW-LJQANCHMSA-N 2 0 314.477 2.530 20 0 DFADRP [NH3+][C@H]1CCCCCC[C@@H]1C(=O)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000178752159 426687474 /nfs/dbraw/zinc/68/74/74/426687474.db2.gz JQTCGJKSPRDWKG-ROUUACIJSA-N 2 0 321.509 2.761 20 0 DFADRP CCCC[N@H+](CC)Cc1cccc(CNC(=O)[C@H]2CC[NH2+]C2)c1 ZINC000236727699 426679962 /nfs/dbraw/zinc/67/99/62/426679962.db2.gz WETAQYUEPWVGAY-SFHVURJKSA-N 2 0 317.477 2.534 20 0 DFADRP CCCCc1nc2cc(NC(=O)C[NH2+]CC3CC3)ccc2[nH]1 ZINC000178708672 426680116 /nfs/dbraw/zinc/68/01/16/426680116.db2.gz NHCRHBRRVPLODN-UHFFFAOYSA-N 2 0 300.406 2.844 20 0 DFADRP O=C(Nc1ccc(C[NH+]2CCCCCC2)cc1)[C@@H]1CC[NH2+]C1 ZINC000178742433 426685769 /nfs/dbraw/zinc/68/57/69/426685769.db2.gz YBYJIQXQRBCYGN-MRXNPFEDSA-N 2 0 301.434 2.611 20 0 DFADRP CCC(C)(C)[NH2+][C@H](C)C(=O)NCCn1c(C)nc2ccccc21 ZINC000273264024 426630008 /nfs/dbraw/zinc/63/00/08/426630008.db2.gz NNIZVFBJSHAZBK-CYBMUJFWSA-N 2 0 316.449 2.628 20 0 DFADRP C[N@@H+]1CCC[C@@H]1CC[NH+]1CCC(C(=O)Nc2ccccc2)CC1 ZINC000178441991 426630387 /nfs/dbraw/zinc/63/03/87/426630387.db2.gz PHTZFGQOZCURLR-GOSISDBHSA-N 2 0 315.461 2.821 20 0 DFADRP O[C@H]1CCCC[C@@H]1[NH2+][C@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000187884242 426703564 /nfs/dbraw/zinc/70/35/64/426703564.db2.gz WOBKMHWOVIVDIS-WPVAHCMFSA-N 2 0 314.473 2.790 20 0 DFADRP C[C@H](CCNC(=O)C1(C[NH3+])CCCC1)[N@H+](C)Cc1ccccc1 ZINC000178857604 426707913 /nfs/dbraw/zinc/70/79/13/426707913.db2.gz AUKNYKGVJBZVDY-MRXNPFEDSA-N 2 0 317.477 2.532 20 0 DFADRP CSC[C@@H](O)C[NH+]1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000187944113 426708968 /nfs/dbraw/zinc/70/89/68/426708968.db2.gz NFOCMYOIIGUPGG-RDJZCZTQSA-N 2 0 314.539 2.687 20 0 DFADRP COC[C@@H]([NH2+]C1CC[NH+](C2CCCCC2)CC1)C1CCOCC1 ZINC000188103268 426722306 /nfs/dbraw/zinc/72/23/06/426722306.db2.gz WCHSOJLOADPPQC-LJQANCHMSA-N 2 0 324.509 2.815 20 0 DFADRP C[NH+]1CCC(O)(C[NH2+][C@@H]2CCC(C)(C)c3ccccc32)CC1 ZINC000280950800 426692669 /nfs/dbraw/zinc/69/26/69/426692669.db2.gz UBDDJXLTRORKQB-QGZVFWFLSA-N 2 0 302.462 2.845 20 0 DFADRP CC[C@@H]([NH2+]C[C@H](C)N1CC[NH+](CC)CC1)c1cccc(F)c1 ZINC000187770763 426693641 /nfs/dbraw/zinc/69/36/41/426693641.db2.gz YHPAVXKZFISPNV-MAUKXSAKSA-N 2 0 307.457 2.892 20 0 DFADRP [NH3+]CCCCCCC(=O)NC[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000237986725 426701684 /nfs/dbraw/zinc/70/16/84/426701684.db2.gz ZWSBUVXZKKSVTC-GOSISDBHSA-N 2 0 317.477 2.849 20 0 DFADRP CCC[C@H]([NH2+]CCCC[N@@H+]1CCC[C@H]1CO)c1ccccn1 ZINC000245776439 426771343 /nfs/dbraw/zinc/77/13/43/426771343.db2.gz ADXMFXVSVAMXLU-IRXDYDNUSA-N 2 0 305.466 2.749 20 0 DFADRP CCC[C@H](C(=O)N1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C)C1)[NH+](C)C ZINC000245791975 426771429 /nfs/dbraw/zinc/77/14/29/426771429.db2.gz NZKQYCIQSSWZJA-FGTMMUONSA-N 2 0 323.525 2.830 20 0 DFADRP Cc1nn(C)cc1C[NH2+][C@H]1c2ccccc2CC[C@@H]1n1ccnc1 ZINC000290464666 426771498 /nfs/dbraw/zinc/77/14/98/426771498.db2.gz NFISHCROZVUALO-OALUTQOASA-N 2 0 321.428 2.943 20 0 DFADRP Cn1c2ccccc2nc1C[N@@H+]1CC[C@@H](C2CC[NH+](C)CC2)C1 ZINC000290494832 426777848 /nfs/dbraw/zinc/77/78/48/426777848.db2.gz OUDAMHGLVPCEQF-MRXNPFEDSA-N 2 0 312.461 2.737 20 0 DFADRP C[C@H]1CCC[C@@H]([NH+]2CCC([NH2+]CCOCC(F)F)CC2)C1 ZINC000188746366 426783755 /nfs/dbraw/zinc/78/37/55/426783755.db2.gz RVTFYMAWGSIZNF-DZGCQCFKSA-N 2 0 304.425 2.901 20 0 DFADRP O[C@@H](CC[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1)c1ccccc1 ZINC000290292222 426733532 /nfs/dbraw/zinc/73/35/32/426733532.db2.gz NADPJOALKYYBRG-HKUYNNGSSA-N 2 0 302.462 2.918 20 0 DFADRP CC[N@@H+]1CC[C@@H](C[NH2+][C@H](Cc2cccc(OC)c2)C2CC2)C1 ZINC000245528333 426749171 /nfs/dbraw/zinc/74/91/71/426749171.db2.gz GCKVTHZLLWPQHF-QFBILLFUSA-N 2 0 302.462 2.948 20 0 DFADRP C[C@@H]1C[C@H]([NH2+]CC2=CC[N@H+](C)CC2)CN(Cc2ccccc2)C1 ZINC000274346941 426749267 /nfs/dbraw/zinc/74/92/67/426749267.db2.gz JNHPZIRRQZSGQC-XLIONFOSSA-N 2 0 313.489 2.749 20 0 DFADRP CC1CCC2(CC1)OC[C@H](C[NH2+][C@@H]1C[C@@H](C)[N@H+](C)C[C@@H]1C)O2 ZINC000245565495 426752523 /nfs/dbraw/zinc/75/25/23/426752523.db2.gz PPKNLAVFZBJNNY-IRCYLGDSSA-N 2 0 310.482 2.627 20 0 DFADRP CC[N@@H+]1CC[C@H]([NH2+]CC2CCN(CC(F)(F)F)CC2)[C@H](C)C1 ZINC000188522077 426758969 /nfs/dbraw/zinc/75/89/69/426758969.db2.gz VICXKZDIFXXNMO-HIFRSBDPSA-N 2 0 321.431 2.581 20 0 DFADRP C[N@H+](CCCn1ccnc1)Cc1c(C2CC2)nc2sccn12 ZINC000290603490 426802386 /nfs/dbraw/zinc/80/23/86/426802386.db2.gz WCCJZWXTSQMTAD-UHFFFAOYSA-N 2 0 315.446 2.992 20 0 DFADRP CC(=O)Nc1ccc(C[N@H+]2CC[C@H](C3CC[NH+](C)CC3)C2)cc1 ZINC000290610943 426805528 /nfs/dbraw/zinc/80/55/28/426805528.db2.gz WMYIKOFIVMYCDD-SFHVURJKSA-N 2 0 315.461 2.809 20 0 DFADRP O[C@@H](CN1CCC[C@H](C[NH+]2CCCCCC2)C1)CC(F)(F)F ZINC000189098394 426818507 /nfs/dbraw/zinc/81/85/07/426818507.db2.gz JGUFQKCMSSEHPF-HUUCEWRRSA-N 2 0 322.415 2.888 20 0 DFADRP C[C@H](c1ccccn1)[NH+]1CCC(C[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000267079258 426820838 /nfs/dbraw/zinc/82/08/38/426820838.db2.gz QKFJJANUJANYHE-BRWVUGGUSA-N 2 0 317.477 2.964 20 0 DFADRP C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)C[C@@H]([NH3+])c2ccccc2)C1 ZINC000246371175 426825600 /nfs/dbraw/zinc/82/56/00/426825600.db2.gz OABYRMVKAHSGPY-NVXWUHKLSA-N 2 0 317.477 2.703 20 0 DFADRP CC(C)C[N@@H+]1CCC[C@H](CNC(=O)[C@@H](C)[NH+]2[C@H](C)CC[C@@H]2C)C1 ZINC000246375422 426825986 /nfs/dbraw/zinc/82/59/86/426825986.db2.gz HWPCHTKNVOMSSS-XMTFNYHQSA-N 2 0 323.525 2.732 20 0 DFADRP C[C@H](CO)CCC[NH2+][C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000274758195 426832151 /nfs/dbraw/zinc/83/21/51/426832151.db2.gz JMEJZJNGOBVADA-JENIJYKNSA-N 2 0 304.478 2.895 20 0 DFADRP CC[N@@H+]1CC[C@H]([NH2+]CC[C@H](C)NC(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000246441779 426833249 /nfs/dbraw/zinc/83/32/49/426833249.db2.gz OPDUZRMXADZZNK-KKUMJFAQSA-N 2 0 313.486 2.610 20 0 DFADRP C[N@@H+]1CCN(CC[NH2+][C@@H](c2cccnc2)C2CCC2)CC1(C)C ZINC000282129021 426836129 /nfs/dbraw/zinc/83/61/29/426836129.db2.gz BHXWRBKZEFRSNA-GOSISDBHSA-N 2 0 316.493 2.538 20 0 DFADRP O[C@H](Cc1ccccc1)C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000246468658 426836941 /nfs/dbraw/zinc/83/69/41/426836941.db2.gz FVYGLUJEYNXFLD-RLLQIKCJSA-N 2 0 314.473 2.539 20 0 DFADRP COc1ccc(OC)c(CCC[NH2+][C@@H]2C[C@H](C)[N@H+](C)C[C@@H]2C)c1 ZINC000246499382 426838880 /nfs/dbraw/zinc/83/88/80/426838880.db2.gz SLGMYTWHEOTQEK-RLFYNMQTSA-N 2 0 320.477 2.955 20 0 DFADRP CCC[NH2+][C@@H](C)C(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000295151389 426841022 /nfs/dbraw/zinc/84/10/22/426841022.db2.gz JQTYQMHPMZAERP-AWEZNQCLSA-N 2 0 321.490 2.562 20 0 DFADRP CC[NH+]1CCC(NC[C@H](C2CC2)[N@H+](C)Cc2ccccc2)CC1 ZINC000274824317 426843482 /nfs/dbraw/zinc/84/34/82/426843482.db2.gz ZFEXLEFKCFGZRF-HXUWFJFHSA-N 2 0 315.505 2.971 20 0 DFADRP CCC[NH2+][C@@H](C)C(=O)NCC(C)(C)[NH2+][C@@H](C)c1ccccc1 ZINC000295162957 426845792 /nfs/dbraw/zinc/84/57/92/426845792.db2.gz KRZQSVOAOQQLJW-GJZGRUSLSA-N 2 0 305.466 2.620 20 0 DFADRP C[N@@H+]1CCN(CC[NH2+]C2CC(c3ccc(F)cc3)C2)CC1(C)C ZINC000282188021 426849915 /nfs/dbraw/zinc/84/99/15/426849915.db2.gz GCGHJFFJVONRSJ-UHFFFAOYSA-N 2 0 319.468 2.687 20 0 DFADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NCC[C@H]1CCC[NH+]1C ZINC000274872210 426855978 /nfs/dbraw/zinc/85/59/78/426855978.db2.gz XOURHFOZQOASSY-MISYRCLQSA-N 2 0 315.505 2.971 20 0 DFADRP c1ccc([C@@H]2C[C@H]2[NH+]2CCC(C[NH+]3CCOCC3)CC2)cc1 ZINC000274554759 426791387 /nfs/dbraw/zinc/79/13/87/426791387.db2.gz YMKVGBZZZBJEIX-RBUKOAKNSA-N 2 0 300.446 2.587 20 0 DFADRP C[NH+]1CCC([C@H]2CC[N@H+](Cc3cccc4c3OCO4)C2)CC1 ZINC000290553582 426792757 /nfs/dbraw/zinc/79/27/57/426792757.db2.gz RXODVQBSVAPOKJ-HNNXBMFYSA-N 2 0 302.418 2.579 20 0 DFADRP C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2ccc(-n3cccn3)cc2)C1 ZINC000290553563 426792887 /nfs/dbraw/zinc/79/28/87/426792887.db2.gz RXIJZXDKTIBQQN-IEBWSBKVSA-N 2 0 310.445 2.788 20 0 DFADRP C[C@H](C[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1)c1nc(-c2ccccc2)no1 ZINC000179478771 426793282 /nfs/dbraw/zinc/79/32/82/426793282.db2.gz ODYGXZAEVYLAML-FMKPAKJESA-N 2 0 314.433 2.912 20 0 DFADRP COc1cccc([C@@H](C)[N@H+](C)CC2CC[NH+](C[C@@H](C)O)CC2)c1 ZINC000247273398 426920786 /nfs/dbraw/zinc/92/07/86/426920786.db2.gz WPLDZAHKFZKMHL-HZPDHXFCSA-N 2 0 320.477 2.781 20 0 DFADRP C[C@]1(c2ccccc2)CC[C@@H]([NH2+][C@@H]2CCCN(CCCO)C2)C1 ZINC000295205904 426860205 /nfs/dbraw/zinc/86/02/05/426860205.db2.gz ZHRWFDOEFRUYLP-AQNXPRMDSA-N 2 0 316.489 2.933 20 0 DFADRP CC[N@H+](CCN[C@@H](C)[C@@H]1CC[NH+](Cc2ccccc2)C1)C1CC1 ZINC000274954593 426861383 /nfs/dbraw/zinc/86/13/83/426861383.db2.gz VPTTVRDVSFFGIB-PKOBYXMFSA-N 2 0 315.505 2.971 20 0 DFADRP C[C@H]1CCCC[N@@H+]1CCCC[NH2+]Cc1c[nH]c2nccnc12 ZINC000290880763 426862406 /nfs/dbraw/zinc/86/24/06/426862406.db2.gz LZUHLAMIIKGOJN-AWEZNQCLSA-N 2 0 301.438 2.702 20 0 DFADRP COc1ccc(OCCC[NH2+][C@@H]2C[C@H](C)[N@H+](C)C[C@@H]2C)cc1 ZINC000246802451 426866306 /nfs/dbraw/zinc/86/63/06/426866306.db2.gz AEWCKCUZRREUIM-RLFYNMQTSA-N 2 0 306.450 2.782 20 0 DFADRP CN1CCC([N@H+](CCO)[C@@H]2CC[C@@](C)(c3ccccc3)C2)CC1 ZINC000189502535 426870909 /nfs/dbraw/zinc/87/09/09/426870909.db2.gz HHAJNPGACOIQND-WOJBJXKFSA-N 2 0 316.489 2.885 20 0 DFADRP Cn1cc(-c2ccc(C[NH2+]CC(C)(C)C[NH+](C)C)s2)cn1 ZINC000282293852 426873476 /nfs/dbraw/zinc/87/34/76/426873476.db2.gz QTHKQHNGIRTPNR-UHFFFAOYSA-N 2 0 306.479 2.826 20 0 DFADRP C[C@@H]1C[NH+](CCCC[N@H+]2C[C@@H](C)OC(C)(C)C2)CC(C)(C)O1 ZINC000246879738 426874808 /nfs/dbraw/zinc/87/48/08/426874808.db2.gz FTQWBDFEECVNCO-HZPDHXFCSA-N 2 0 312.498 2.765 20 0 DFADRP Cc1cc(N2CC[C@@H]([NH+]3CCOCC3)[C@H]2C)c2ccccc2[nH+]1 ZINC000291053753 426875627 /nfs/dbraw/zinc/87/56/27/426875627.db2.gz DXNXILVNIQOKQK-CRAIPNDOSA-N 2 0 311.429 2.843 20 0 DFADRP COc1ccc([C@H](C)[NH2+]CCN2CC[N@H+](C)C(C)(C)C2)c(F)c1 ZINC000282309672 426878272 /nfs/dbraw/zinc/87/82/72/426878272.db2.gz MWIQFBFUBBWRQF-AWEZNQCLSA-N 2 0 323.456 2.511 20 0 DFADRP CC(C)OC1CC([NH2+]Cc2cccc(OCC[NH+](C)C)c2)C1 ZINC000189520741 426878191 /nfs/dbraw/zinc/87/81/91/426878191.db2.gz AQEIPFPULPKFJS-UHFFFAOYSA-N 2 0 306.450 2.673 20 0 DFADRP CCC(CC)C(=O)N1CCC([NH2+][C@@H]2C[C@H](C)[N@H+](C)C[C@H]2C)CC1 ZINC000246981268 426885220 /nfs/dbraw/zinc/88/52/20/426885220.db2.gz JRFDZEOIIHPICE-RVKKMQEKSA-N 2 0 323.525 2.732 20 0 DFADRP CC[C@@H]([NH2+]CCN1CC[N@H+](C)C(C)(C)C1)c1cccc(F)c1 ZINC000282349980 426889264 /nfs/dbraw/zinc/88/92/64/426889264.db2.gz PERKBGFSPBQXSD-QGZVFWFLSA-N 2 0 307.457 2.892 20 0 DFADRP COc1ccc(C)cc1[C@@H](C)[NH2+]CCN1CC[N@H+](C)C(C)(C)C1 ZINC000282347804 426890182 /nfs/dbraw/zinc/89/01/82/426890182.db2.gz PCNCQWKAVUXMAD-MRXNPFEDSA-N 2 0 319.493 2.680 20 0 DFADRP C[NH+]1CCN(c2ccc(C[NH2+][C@@H]3CCC[C@@H]4C[C@@]43C)cn2)CC1 ZINC000282363046 426892682 /nfs/dbraw/zinc/89/26/82/426892682.db2.gz WGKFLMJUDUBVQS-LMMKCTJWSA-N 2 0 314.477 2.502 20 0 DFADRP C[C@@H]1CSC[C@@H]1[NH2+]CCc1ccc(OCC[NH+](C)C)cc1 ZINC000295299581 426895782 /nfs/dbraw/zinc/89/57/82/426895782.db2.gz XMCOUADCZGZEPE-PBHICJAKSA-N 2 0 308.491 2.511 20 0 DFADRP c1cc([C@H]2OCCC[C@@H]2[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)ccn1 ZINC000275690957 426896372 /nfs/dbraw/zinc/89/63/72/426896372.db2.gz WYGLXIFEBBGNSA-VSZNYVQBSA-N 2 0 301.434 2.518 20 0 DFADRP C[C@@H]([NH2+]C(C)(C)CNC(=O)c1c[nH+]ccc1N)c1ccccc1 ZINC000275679821 426896511 /nfs/dbraw/zinc/89/65/11/426896511.db2.gz PFMMAPROVHEINI-CYBMUJFWSA-N 2 0 312.417 2.523 20 0 DFADRP C[N@@H+]1CCN(CC[NH2+][C@H]2CCSc3ccccc32)CC1(C)C ZINC000282387793 426897399 /nfs/dbraw/zinc/89/73/99/426897399.db2.gz RAMLCLNHULMFEW-INIZCTEOSA-N 2 0 319.518 2.839 20 0 DFADRP CC[N@@H+]1CC[C@H]([NH2+]CCCN(C)c2ccccc2F)[C@@H](C)C1 ZINC000247121052 426905541 /nfs/dbraw/zinc/90/55/41/426905541.db2.gz RDRDMIHIZAHOAB-RDJZCZTQSA-N 2 0 307.457 2.972 20 0 DFADRP C[C@H](O)C[C@H](C[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccccc1 ZINC000305272965 426905992 /nfs/dbraw/zinc/90/59/92/426905992.db2.gz AJSFBQOEFUODLU-JCHJZTRSSA-N 2 0 302.462 2.758 20 0 DFADRP CC[C@H](C(=O)NC[C@H]1CCC[N@H+](C)[C@H]1c1cccs1)[NH+](C)C ZINC000247148421 426906741 /nfs/dbraw/zinc/90/67/41/426906741.db2.gz WTTBMLOZKOXUAE-IIAWOOMASA-N 2 0 323.506 2.587 20 0 DFADRP COC[C@@H](Cc1ccccc1)[NH2+]C[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC000247159120 426911697 /nfs/dbraw/zinc/91/16/97/426911697.db2.gz XRTJYGJZVRRXQE-RBUKOAKNSA-N 2 0 304.478 2.954 20 0 DFADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@H]2CCN(c3ccccc3)C2)[C@@H](C)C1 ZINC000247193072 426912602 /nfs/dbraw/zinc/91/26/02/426912602.db2.gz VWRLJOJIPBGAMI-SCTDSRPQSA-N 2 0 301.478 2.833 20 0 DFADRP c1cc(CC[N@@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)cc2c1OCC2 ZINC000316681064 426948403 /nfs/dbraw/zinc/94/84/03/426948403.db2.gz ZAMDQQKWKLLLGW-MSOLQXFVSA-N 2 0 300.446 2.628 20 0 DFADRP C[C@@H](CNC1CC[NH+](CCc2ccc(F)cc2)CC1)C[NH+](C)C ZINC000291674926 426948801 /nfs/dbraw/zinc/94/88/01/426948801.db2.gz GZYIQHDQDFEXIT-INIZCTEOSA-N 2 0 321.484 2.620 20 0 DFADRP C[C@@H](CCN1CC[NH+](C)CC1)[NH2+]Cc1ccc2c(c1)CCCC2 ZINC000291692441 426953379 /nfs/dbraw/zinc/95/33/79/426953379.db2.gz JCUDDDTXFMBWDV-KRWDZBQOSA-N 2 0 315.505 2.681 20 0 DFADRP Cn1cc(-c2ccc(C[NH2+]CC3CC[NH+](C)CC3)s2)cn1 ZINC000337834061 426994259 /nfs/dbraw/zinc/99/42/59/426994259.db2.gz WVRJHBXSQSHJHB-UHFFFAOYSA-N 2 0 304.463 2.580 20 0 DFADRP CCO[C@@H]1C[C@@H]([NH2+]CCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)C12CCC2 ZINC000181616571 426967448 /nfs/dbraw/zinc/96/74/48/426967448.db2.gz BDUDBXYGHWVGAU-XMTFNYHQSA-N 2 0 324.509 2.813 20 0 DFADRP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+]C1CCN(C(=O)C(C)(C)C)CC1 ZINC000321967268 426973090 /nfs/dbraw/zinc/97/30/90/426973090.db2.gz NPYVBLHXVGVOEL-NVXWUHKLSA-N 2 0 323.525 2.924 20 0 DFADRP CC[N@@H+]1CC[C@H]([NH2+]CCCN2CCc3ccccc32)[C@@H](C)C1 ZINC000248046802 426975075 /nfs/dbraw/zinc/97/50/75/426975075.db2.gz VJZJJRLEVKAFEI-WMZOPIPTSA-N 2 0 301.478 2.759 20 0 DFADRP CC[C@H]1CCCC[C@H]1[NH2+]Cc1ccnc(N2CC[NH+](C)CC2)c1 ZINC000181741080 426979910 /nfs/dbraw/zinc/97/99/10/426979910.db2.gz CJZXRZXZWUBGBG-ZWKOTPCHSA-N 2 0 316.493 2.892 20 0 DFADRP CC1CC[NH+](CCC[NH2+][C@H]2CCO[C@@H](C(F)(F)F)C2)CC1 ZINC000314774015 426930516 /nfs/dbraw/zinc/93/05/16/426930516.db2.gz KBDGGSNTPAOJGF-UONOGXRCSA-N 2 0 308.388 2.808 20 0 DFADRP CC(C)CCC[NH2+]Cc1cccc(C(=O)NCC[NH+](C)C)c1 ZINC000275867461 426937690 /nfs/dbraw/zinc/93/76/90/426937690.db2.gz YMYOYRRRLFRPOZ-UHFFFAOYSA-N 2 0 305.466 2.504 20 0 DFADRP CC(C)[C@](C)(O)C[NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]12 ZINC000248413952 426997996 /nfs/dbraw/zinc/99/79/96/426997996.db2.gz MBEMJSNVAZOCAI-IYWMVGAKSA-N 2 0 316.489 2.894 20 0 DFADRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)NCC[C@H](C)[NH+]1CCCCC1 ZINC000248500769 427006289 /nfs/dbraw/zinc/00/62/89/427006289.db2.gz SSSOOKCXDAVXFA-DLBZAZTESA-N 2 0 309.498 2.630 20 0 DFADRP CCC[C@@H](C(=O)NCC(C)(C)[N@@H+]1CCC[C@@H](CC)C1)[NH+](C)C ZINC000337903486 427030984 /nfs/dbraw/zinc/03/09/84/427030984.db2.gz LAVNVRMKBZHLEY-CVEARBPZSA-N 2 0 311.514 2.734 20 0 DFADRP Cc1ncsc1C[N@H+]1CC[C@@H](Oc2cccnc2N(C)C)C1 ZINC000296013879 427047127 /nfs/dbraw/zinc/04/71/27/427047127.db2.gz QRTYCJHRGOAJKG-CYBMUJFWSA-N 2 0 318.446 2.566 20 0 DFADRP C[N@@H+]1CCCC[C@@H]1CC[NH+]1CC[C@@H](CNc2ccccn2)C1 ZINC000268545119 427047527 /nfs/dbraw/zinc/04/75/27/427047527.db2.gz LYQOLZHNHOIXEJ-DLBZAZTESA-N 2 0 302.466 2.690 20 0 DFADRP C[C@H]([NH3+])CCC(=O)N(C)[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000248836676 427051506 /nfs/dbraw/zinc/05/15/06/427051506.db2.gz DEHNEPPIGZXATQ-JZXOWHBKSA-N 2 0 317.477 2.625 20 0 DFADRP CC(C)n1ncc2cc(CN3CC[C@]4(CC[N@H+](C)C4)C3)cnc21 ZINC000292037603 427065822 /nfs/dbraw/zinc/06/58/22/427065822.db2.gz ABNCBHRCGFXMFS-SFHVURJKSA-N 2 0 313.449 2.540 20 0 DFADRP C[C@H]1CCC[N@H+](Cc2ccc(NC(=O)C3([NH3+])CCC3)cc2)C1 ZINC000296081992 427070531 /nfs/dbraw/zinc/07/05/31/427070531.db2.gz QOIUORJHPUDQMX-AWEZNQCLSA-N 2 0 301.434 2.738 20 0 DFADRP C[C@H]([NH3+])[C@H](C)C(=O)NC[C@H](c1cccs1)[NH+]1CCC(C)CC1 ZINC000248988384 427072759 /nfs/dbraw/zinc/07/27/59/427072759.db2.gz GTKIMNUQJQSVSP-SOUVJXGZSA-N 2 0 323.506 2.621 20 0 DFADRP C[C@H]1[C@@H]([NH+]2CCCC2)CCN1CC[N@H+](C)Cc1ccccc1 ZINC000296114106 427081087 /nfs/dbraw/zinc/08/10/87/427081087.db2.gz XYVLHWWYUGGJSO-HKUYNNGSSA-N 2 0 301.478 2.677 20 0 DFADRP C[N@@H+]1CCCN(CCC[NH2+][C@H]2CCC[C@@H](C(F)(F)F)C2)CC1 ZINC000249083130 427084576 /nfs/dbraw/zinc/08/45/76/427084576.db2.gz AUSHVGANJJFQNA-CABCVRRESA-N 2 0 321.431 2.725 20 0 DFADRP C[C@H](CNC(=O)[C@H](C)[NH+]1[C@@H](C)CC[C@@H]1C)[N@@H+]1CCCC[C@H]1C ZINC000338002919 427087669 /nfs/dbraw/zinc/08/76/69/427087669.db2.gz SSDWUOKPPAZSFT-HMDCTGQHSA-N 2 0 309.498 2.627 20 0 DFADRP Cc1ccc(NC(=O)C[C@H]2CCCC[C@@H]2[NH3+])c(C[NH+](C)C)c1 ZINC000296157255 427094906 /nfs/dbraw/zinc/09/49/06/427094906.db2.gz WILHOGWOARLYSZ-ZBFHGGJFSA-N 2 0 303.450 2.903 20 0 DFADRP Cc1ccc(NC(=O)C[C@@H]2CCCC[C@H]2[NH3+])c(C[NH+](C)C)c1 ZINC000296157240 427095055 /nfs/dbraw/zinc/09/50/55/427095055.db2.gz WILHOGWOARLYSZ-GOEBONIOSA-N 2 0 303.450 2.903 20 0 DFADRP C[C@H](Cc1ccccc1F)[NH2+]CCCC[N@@H+]1CCC[C@H]1CO ZINC000249201982 427099188 /nfs/dbraw/zinc/09/91/88/427099188.db2.gz UEHWKYUYKDTUNW-WBVHZDCISA-N 2 0 308.441 2.583 20 0 DFADRP CC[N@@H+]1CC[C@@H]([NH+](C)CCOCC(F)(F)C(F)F)[C@@H](C)C1 ZINC000249290033 427104672 /nfs/dbraw/zinc/10/46/72/427104672.db2.gz MFZRKFDATTYEFK-NWDGAFQWSA-N 2 0 314.367 2.566 20 0 DFADRP C[C@@H](C[NH2+]C1CCC([N@H+](C)Cc2ccccc2)CC1)N(C)C ZINC000283943295 427105540 /nfs/dbraw/zinc/10/55/40/427105540.db2.gz FMFLJYAXXWYZSI-IVMQYODDSA-N 2 0 303.494 2.969 20 0 DFADRP CC[NH+](CC)CCOc1ccc(C[NH2+][C@H](C)CCOC)cc1 ZINC000268775167 427112553 /nfs/dbraw/zinc/11/25/53/427112553.db2.gz NNDXQIRFEANRMW-MRXNPFEDSA-N 2 0 308.466 2.922 20 0 DFADRP C[C@@H](C(=O)N(C)CC[NH+](C)C1CCCCC1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000338053792 427117871 /nfs/dbraw/zinc/11/78/71/427117871.db2.gz IXRFJZWXQUEKKT-BBWFWOEESA-N 2 0 323.525 2.971 20 0 DFADRP Cc1ccccc1C[C@@H]([NH2+]C[C@@H](C)N1CC[NH+](C)CC1)C1CC1 ZINC000284081843 427130052 /nfs/dbraw/zinc/13/00/52/427130052.db2.gz BDBZLQQZKGILGN-YLJYHZDGSA-N 2 0 315.505 2.542 20 0 DFADRP CC[C@H](C)[C@H](C)[NH2+]CCCN1CCN(c2cc[nH+]cc2)CC1 ZINC000268830877 427132056 /nfs/dbraw/zinc/13/20/56/427132056.db2.gz SFGVTMMHBBKXNL-IRXDYDNUSA-N 2 0 304.482 2.618 20 0 DFADRP CC1CC[NH+](CCCCNC(=O)c2ccc3c[nH+]cn3c2)CC1 ZINC000284131102 427139858 /nfs/dbraw/zinc/13/98/58/427139858.db2.gz UUCXQBCCEPAMGR-UHFFFAOYSA-N 2 0 314.433 2.576 20 0 DFADRP C[C@H](C(=O)NCc1ccccc1C[NH+](C)C)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000249737641 427142372 /nfs/dbraw/zinc/14/23/72/427142372.db2.gz GQOQFAROCPIVAU-OWCLPIDISA-N 2 0 317.477 2.626 20 0 DFADRP Cc1cc(C[NH2+][C@H](C)c2ccc(OCC[NH+](C)C)cc2)n(C)n1 ZINC000284142797 427143913 /nfs/dbraw/zinc/14/39/13/427143913.db2.gz DFNAVNWLGFRCKE-OAHLLOKOSA-N 2 0 316.449 2.520 20 0 DFADRP C[N@@H+]1CC[C@]2(CC[NH+](CCC(=O)Nc3ccccc3Cl)C2)C1 ZINC000292245224 427145349 /nfs/dbraw/zinc/14/53/49/427145349.db2.gz XCMBRPLUBVMHGL-KRWDZBQOSA-N 2 0 321.852 2.696 20 0 DFADRP CCCNC(=O)[C@@H](C)[NH+]1CCC(CCC[NH+](CC)CC)CC1 ZINC000182787052 427147216 /nfs/dbraw/zinc/14/72/16/427147216.db2.gz HXHOGRNFCXHNTN-MRXNPFEDSA-N 2 0 311.514 2.735 20 0 DFADRP C[N@H+](CCCn1ccnc1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000182803937 427150002 /nfs/dbraw/zinc/15/00/02/427150002.db2.gz WMKBYJYSFGRQHD-LJQANCHMSA-N 2 0 312.461 2.727 20 0 DFADRP C[C@@H](C(=O)Nc1ccc2c(c1)C[NH2+]CC2)[NH+]1CCCCCC1 ZINC000269172634 427150991 /nfs/dbraw/zinc/15/09/91/427150991.db2.gz AJPNGFZVXYLNQR-AWEZNQCLSA-N 2 0 301.434 2.535 20 0 DFADRP CC1CC[NH+]([C@@H](CNC(=O)C(C)(C)C[NH3+])c2cccs2)CC1 ZINC000163575711 271091322 /nfs/dbraw/zinc/09/13/22/271091322.db2.gz DQYNWGWTZAUOPB-AWEZNQCLSA-N 2 0 323.506 2.622 20 0 DFADRP C[C@H](C(=O)NCC[N@H+](C)C1CCCCC1)[C@H]([NH3+])c1ccccc1 ZINC000165005589 271094409 /nfs/dbraw/zinc/09/44/09/271094409.db2.gz URWPHYXLILXWHM-YJBOKZPZSA-N 2 0 317.477 2.703 20 0 DFADRP CC[NH+](CC)[C@H]1CCN(C(=O)[C@@H](c2ccccc2)[N@@H+](C)CC)C1 ZINC000174120153 271127625 /nfs/dbraw/zinc/12/76/25/271127625.db2.gz ADQRUICJLJALLW-ZWKOTPCHSA-N 2 0 317.477 2.622 20 0 DFADRP CC[N@@H+]1CC[C@@H]([NH+](C)CCOCC(F)(F)C(F)F)[C@H](C)C1 ZINC000189688789 271204345 /nfs/dbraw/zinc/20/43/45/271204345.db2.gz MFZRKFDATTYEFK-VXGBXAGGSA-N 2 0 314.367 2.566 20 0 DFADRP COc1ccnc(CN2CC[NH+](C3CCCCC3)CC2)c1OC ZINC000190725156 427168278 /nfs/dbraw/zinc/16/82/78/427168278.db2.gz AJVBIHQVBGYNGU-UHFFFAOYSA-N 2 0 319.449 2.549 20 0 DFADRP C[C@H](C[NH2+]CCCNC(=O)OC(C)(C)C)C[NH+]1CCCCC1 ZINC000227409701 271235783 /nfs/dbraw/zinc/23/57/83/271235783.db2.gz DJUZXYHNFFDVND-OAHLLOKOSA-N 2 0 313.486 2.613 20 0 DFADRP [NH3+]C[C@@H]1CC[C@H]([NH2+]C2CCC3(CC2)c2ccccc2NC3=O)C1 ZINC000333860911 271396647 /nfs/dbraw/zinc/39/66/47/271396647.db2.gz SASRVUOJGCGTHT-XNDRKVBMSA-N 2 0 313.445 2.536 20 0 DFADRP CC(C)[C@H]1C[C@H]([NH2+]Cc2ccnc(OCC[NH+](C)C)c2)CS1 ZINC000277343060 427174024 /nfs/dbraw/zinc/17/40/24/427174024.db2.gz VFMVTUQMUQDZSY-JKSUJKDBSA-N 2 0 323.506 2.642 20 0 DFADRP CC(C)[C@@H](O)C[NH+]1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC000284311808 427177132 /nfs/dbraw/zinc/17/71/32/427177132.db2.gz PFRIQMIXOXKKMW-IBGZPJMESA-N 2 0 304.478 2.847 20 0 DFADRP Cc1ccccc1C[C@@H]([NH2+]CCCN1CC[NH+](C)CC1)C1CC1 ZINC000284315042 427182139 /nfs/dbraw/zinc/18/21/39/427182139.db2.gz LNSPSBVIQRDRKE-HXUWFJFHSA-N 2 0 315.505 2.543 20 0 DFADRP c1ccc(C[C@@H]([NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)c2cccnc2)nc1 ZINC000338195011 427187429 /nfs/dbraw/zinc/18/74/29/427187429.db2.gz KDGTZMVSVCFIOW-OXQOHEQNSA-N 2 0 322.456 2.834 20 0 DFADRP C[C@H]1C[C@@H](CC[NH2+]Cc2cnn(C)c2)C[N@@H+]1Cc1ccccc1 ZINC000338201054 427189352 /nfs/dbraw/zinc/18/93/52/427189352.db2.gz YFASCWTWAFDBIR-FUHWJXTLSA-N 2 0 312.461 2.810 20 0 DFADRP C[C@H]1COCC[C@H]1[NH2+]Cc1ccc(OC2CC[NH+](C)CC2)cc1 ZINC000284353786 427190470 /nfs/dbraw/zinc/19/04/70/427190470.db2.gz MMLSLGHFEDUJOI-HNAYVOBHSA-N 2 0 318.461 2.674 20 0 DFADRP C[C@H](CC(C)(C)O)[NH2+][C@H](C)c1cccc(OCC[NH+](C)C)c1 ZINC000296486220 427197730 /nfs/dbraw/zinc/19/77/30/427197730.db2.gz OLEWEPMVOPLLOD-HUUCEWRRSA-N 2 0 308.466 2.827 20 0 DFADRP Cc1nnc(CN[C@@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)[nH]1 ZINC000292767135 427197933 /nfs/dbraw/zinc/19/79/33/427197933.db2.gz IOXMERVKJWWWRP-MRXNPFEDSA-N 2 0 313.449 2.503 20 0 DFADRP Cc1[nH+]c2ccccc2c(N2CC[C@@H]3OCC[N@@H+](C)[C@@H]3C2)c1C ZINC000284936670 427198080 /nfs/dbraw/zinc/19/80/80/427198080.db2.gz JEWQZKXKTKAPFU-MSOLQXFVSA-N 2 0 311.429 2.761 20 0 DFADRP Cc1cccc(C[NH+]2CCC(CC[NH+]3CCOCC3)CC2)c1 ZINC000338220619 427199808 /nfs/dbraw/zinc/19/98/08/427199808.db2.gz LQUSLXCIZVHDGY-UHFFFAOYSA-N 2 0 302.462 2.929 20 0 DFADRP CC[N@@H+]1CC[C@H](C[NH2+][C@@H](Cc2ccccn2)c2cccnc2)C1 ZINC000338218758 427200187 /nfs/dbraw/zinc/20/01/87/427200187.db2.gz WBGLJKWQOZSQPF-APWZRJJASA-N 2 0 310.445 2.692 20 0 DFADRP C[NH+](C)CCCN[C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000183125341 427203918 /nfs/dbraw/zinc/20/39/18/427203918.db2.gz QHIWHKFTZVHMAI-HSALFYBXSA-N 2 0 315.505 2.828 20 0 DFADRP C[C@H](O)CC[NH2+][C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000183142226 427210250 /nfs/dbraw/zinc/21/02/50/427210250.db2.gz SJVOZGCFDJLRJE-DSLXNQLJSA-N 2 0 302.462 2.648 20 0 DFADRP C[C@H]([NH2+]C1CCN(CC[NH+](C)C)CC1)c1cccc(F)c1F ZINC000183220214 427225582 /nfs/dbraw/zinc/22/55/82/427225582.db2.gz ZLGAPFCTEQABGW-ZDUSSCGKSA-N 2 0 311.420 2.641 20 0 DFADRP CCC[N@H+](CC)Cc1ccc(C(=O)N[C@H]2CCC[NH2+][C@H]2C)cc1 ZINC000277517514 427227783 /nfs/dbraw/zinc/22/77/83/427227783.db2.gz RZJWGFYHRQZCBF-YJBOKZPZSA-N 2 0 317.477 2.789 20 0 DFADRP Cc1ccc(C[N@@H+](C)CCN(C)C2CC[NH+](C)CC2)cc1C ZINC000191011645 427230124 /nfs/dbraw/zinc/23/01/24/427230124.db2.gz MBHDCMWECKHPJE-UHFFFAOYSA-N 2 0 303.494 2.761 20 0 DFADRP CC[NH+](CC)[C@H](C(=O)NCC1(C)CC[NH2+]CC1)c1ccccc1 ZINC000183313090 427244285 /nfs/dbraw/zinc/24/42/85/427244285.db2.gz CCFFVWBDLBSUJR-KRWDZBQOSA-N 2 0 317.477 2.575 20 0 DFADRP C[NH+](C)C[C@](C)(O)CNCc1ccc(-c2c(F)cccc2F)o1 ZINC000269836406 427286706 /nfs/dbraw/zinc/28/67/06/427286706.db2.gz UDJUVTODZJEXKZ-QGZVFWFLSA-N 2 0 324.371 2.627 20 0 DFADRP CC[NH+](CC)CCCN1C[C@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000338341124 427266492 /nfs/dbraw/zinc/26/64/92/427266492.db2.gz CTFDCSWCUWAMLF-PMACEKPBSA-N 2 0 315.505 2.782 20 0 DFADRP C[C@H](CC(=O)OC(C)(C)C)[NH2+]Cc1cccc(C[NH+](C)C)c1 ZINC000183692990 427322261 /nfs/dbraw/zinc/32/22/61/427322261.db2.gz TVULLANOFJNXDP-CQSZACIVSA-N 2 0 306.450 2.958 20 0 DFADRP C[C@H]([NH2+]C1CCN(CC[NH+](C)C)CC1)[C@H]1C[C@H]1c1ccccc1 ZINC000338691024 271576243 /nfs/dbraw/zinc/57/62/43/271576243.db2.gz WLZCZUNPRUKULY-DBVUQKKJSA-N 2 0 315.505 2.794 20 0 DFADRP CCOc1ccccc1CNCCC[N@@H+]1CCCO[C@@H](C)C1 ZINC000277903165 427353036 /nfs/dbraw/zinc/35/30/36/427353036.db2.gz PBJQGPCOPRJHTH-INIZCTEOSA-N 2 0 306.450 2.676 20 0 DFADRP CC(C)[N@H+](C)Cc1cccc(CNC(=O)C[C@@H]2CCC[C@H]2[NH3+])c1 ZINC000261819649 427341148 /nfs/dbraw/zinc/34/11/48/427341148.db2.gz SOTTZPLYQGHELH-ZWKOTPCHSA-N 2 0 317.477 2.661 20 0 DFADRP C[C@H]1C[N@H+](CCC[NH2+]C/C=C/c2ccc(F)cc2)CCCO1 ZINC000277862537 427344407 /nfs/dbraw/zinc/34/44/07/427344407.db2.gz NFMBDBBTQQMJHG-AUYOJAJCSA-N 2 0 306.425 2.929 20 0 DFADRP CC[N@H+](C)C[C@@H]1CCN(Cc2ccc(N(C)C(C)C)nc2)C1 ZINC000191419678 427346528 /nfs/dbraw/zinc/34/65/28/427346528.db2.gz VTCOQHDSCBIUDF-KRWDZBQOSA-N 2 0 304.482 2.700 20 0 DFADRP C[C@H](C[C@@H]1COCC[NH2+]1)NCC1([NH+]2CCCCC2)CCCCC1 ZINC000261949433 427348115 /nfs/dbraw/zinc/34/81/15/427348115.db2.gz WBVHBAGDCQXKLX-QZTJIDSGSA-N 2 0 323.525 2.532 20 0 DFADRP C[NH2+]CCC1CC[NH+]([C@@H]2CCCN(c3ccccc3)C2=O)CC1 ZINC000261990260 427348297 /nfs/dbraw/zinc/34/82/97/427348297.db2.gz LPZTZEMYPMKYEU-GOSISDBHSA-N 2 0 315.461 2.504 20 0 DFADRP C[C@H](CN[C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C)C[NH+](C)C ZINC000293351963 427296352 /nfs/dbraw/zinc/29/63/52/427296352.db2.gz HACBNOZELXMTAF-AOIWGVFYSA-N 2 0 303.494 2.684 20 0 DFADRP CC(C)[NH+]1CCN(CCC[N@H+](C)[C@@H](C)c2cccc(O)c2)CC1 ZINC000191572699 427381194 /nfs/dbraw/zinc/38/11/94/427381194.db2.gz JURZQALAFLBCJE-KRWDZBQOSA-N 2 0 319.493 2.801 20 0 DFADRP COC(=O)C(C)(C)CC[NH2+][C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000338571941 427387663 /nfs/dbraw/zinc/38/76/63/427387663.db2.gz NSAJQMMCEPEJOL-HUUCEWRRSA-N 2 0 310.482 2.818 20 0 DFADRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+]Cc1ccc2occc2c1 ZINC000285997890 427399122 /nfs/dbraw/zinc/39/91/22/427399122.db2.gz OSDAQIGHIMFYIH-OAHLLOKOSA-N 2 0 301.434 2.548 20 0 DFADRP CC(C)[NH+]1CCC([NH2+][C@H](C)c2ccccc2-n2ccnn2)CC1 ZINC000286000230 427399518 /nfs/dbraw/zinc/39/95/18/427399518.db2.gz IPQDXYIJTPSJEQ-OAHLLOKOSA-N 2 0 313.449 2.791 20 0 DFADRP c1ccc(C[N@H+]2CC[C@H](N3CC[NH+](CC4CCC4)CC3)C2)cc1 ZINC000285999865 427399551 /nfs/dbraw/zinc/39/95/51/427399551.db2.gz OTGXONQUXJQIDU-FQEVSTJZSA-N 2 0 313.489 2.679 20 0 DFADRP C[C@@H]1[C@H]([NH2+]CCCn2ccnc2)CCCN1Cc1ccccc1 ZINC000293675598 427402294 /nfs/dbraw/zinc/40/22/94/427402294.db2.gz JZJLFNVFNFTURK-IEBWSBKVSA-N 3 0 312.461 2.916 20 0 DFADRP COc1ccc2c(c1)C[C@H]([NH2+]C[C@@H]1CCC[N@@H+](C(C)C)C1)CO2 ZINC000297504826 427407192 /nfs/dbraw/zinc/40/71/92/427407192.db2.gz CDVQIGKTYNGREB-RDJZCZTQSA-N 2 0 318.461 2.709 20 0 DFADRP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(C[C@@H](O)c2cccnc2)C1 ZINC000297500892 427408161 /nfs/dbraw/zinc/40/81/61/427408161.db2.gz NDBWKYFAWNKLRT-ZIFCJYIRSA-N 2 0 317.477 2.701 20 0 DFADRP c1cc(N2CCC([NH2+][C@H]3CCO[C@@H](C4CC4)C3)CC2)cc[nH+]1 ZINC000297611494 427416798 /nfs/dbraw/zinc/41/67/98/427416798.db2.gz KPGRIRWHBFIWGH-FUHWJXTLSA-N 2 0 301.434 2.598 20 0 DFADRP CC(C)[NH+]1CCN(CCC[N@@H+]2CC[C@H](c3ccccc3)C2)CC1 ZINC000191465140 427356229 /nfs/dbraw/zinc/35/62/29/427356229.db2.gz WWPBITLQYHGECL-FQEVSTJZSA-N 2 0 315.505 2.892 20 0 DFADRP CC[NH+](CC)CCCN1CCC(NC(=O)CC2CCCC2)CC1 ZINC000191489429 427361813 /nfs/dbraw/zinc/36/18/13/427361813.db2.gz PGDLIHOVYZIMHJ-UHFFFAOYSA-N 2 0 323.525 2.879 20 0 DFADRP C[N@@H+]1CCC[C@@H]1CC[NH+]1CCC(CO)(Cc2ccccc2)CC1 ZINC000277925135 427362010 /nfs/dbraw/zinc/36/20/10/427362010.db2.gz YIDLVRIMFSEDLF-LJQANCHMSA-N 2 0 316.489 2.788 20 0 DFADRP CO[C@@H](C[NH2+][C@@H](C)c1ccc(OCC[NH+](C)C)cc1)C1CC1 ZINC000293563154 427364611 /nfs/dbraw/zinc/36/46/11/427364611.db2.gz ASCLGONBBPQTMT-KSSFIOAISA-N 2 0 306.450 2.703 20 0 DFADRP O[C@@H]1CC[N@H+](Cc2ccccc2C[NH2+][C@@H]2CCC[C@@H]2CCF)C1 ZINC000285903133 427366993 /nfs/dbraw/zinc/36/69/93/427366993.db2.gz BKIPTAKWOGOBON-ATZDWAIDSA-N 2 0 320.452 2.871 20 0 DFADRP C[C@H]1C[C@H](N(C)Cc2cnc3ccc(Cl)cn23)CC[N@@H+]1C ZINC000271206531 427451399 /nfs/dbraw/zinc/45/13/99/427451399.db2.gz RWMOOAJMSCRNFN-GXTWGEPZSA-N 2 0 306.841 2.902 20 0 DFADRP C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C[C@H]([NH3+])c1ccccc1 ZINC000263370709 427474303 /nfs/dbraw/zinc/47/43/03/427474303.db2.gz XZAMSJKPMYJAIV-DFGXFYAUSA-N 2 0 317.477 2.559 20 0 DFADRP C=Cn1cc(CN[C@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)cn1 ZINC000278857336 427478765 /nfs/dbraw/zinc/47/87/65/427478765.db2.gz LRSGNGAANJOXPN-VQIMIIECSA-N 2 0 310.445 2.984 20 0 DFADRP C[C@H]([NH3+])[C@H](C)C(=O)Nc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000192104602 427479342 /nfs/dbraw/zinc/47/93/42/427479342.db2.gz NNEYUAOJDJPIML-GJZGRUSLSA-N 2 0 303.450 2.984 20 0 DFADRP C[C@@H](C(=O)NCc1ccccc1C[NH+]1CCC(C)CC1)[C@H](C)[NH3+] ZINC000192094048 427480441 /nfs/dbraw/zinc/48/04/41/427480441.db2.gz KPFLTBIDEGLXMP-CVEARBPZSA-N 2 0 317.477 2.518 20 0 DFADRP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1ccnc(N)c1 ZINC000278871996 427482972 /nfs/dbraw/zinc/48/29/72/427482972.db2.gz OEMSPDADHQYDKV-YJBOKZPZSA-N 2 0 310.445 2.664 20 0 DFADRP CC[NH+](CC)CCCN1CCC[C@H](c2nncn2C2CC2)C1 ZINC000191814365 427433472 /nfs/dbraw/zinc/43/34/72/427433472.db2.gz ZRGLKKJRVXTZPR-HNNXBMFYSA-N 2 0 305.470 2.524 20 0 DFADRP C[C@H]([NH2+]CC1CC[NH+](C2CC2)CC1)c1ccc2c(c1)OCO2 ZINC000278409913 427433914 /nfs/dbraw/zinc/43/39/14/427433914.db2.gz HNCRHSTZEMSTSG-ZDUSSCGKSA-N 2 0 302.418 2.940 20 0 DFADRP C[C@H](CN[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)C[NH+](C)C ZINC000293805725 427442581 /nfs/dbraw/zinc/44/25/81/427442581.db2.gz VHXJBYPSSQKAJB-RSPOEFSDSA-N 3 0 315.505 2.969 20 0 DFADRP COc1ccc(C[C@@H](C)[NH2+]CCCC[NH+](C)C)c(C)c1OC ZINC000286344070 427499691 /nfs/dbraw/zinc/49/96/91/427499691.db2.gz YLGAJLWADKQMQX-CQSZACIVSA-N 2 0 308.466 2.875 20 0 DFADRP COCC[N@H+](C)CCCC1CC[NH+]([C@@H](C)c2cnccn2)CC1 ZINC000184704719 427521843 /nfs/dbraw/zinc/52/18/43/427521843.db2.gz NLTUAXNGUQOWAN-INIZCTEOSA-N 2 0 320.481 2.608 20 0 DFADRP Cc1nccc(N2CCN(Cc3ccc([C@H]4C[C@H]4C)o3)CC2)n1 ZINC000184769359 427536398 /nfs/dbraw/zinc/53/63/98/427536398.db2.gz UMDZFHOYTMTBCH-CJNGLKHVSA-N 2 0 312.417 2.824 20 0 DFADRP c1ccc(C[N@@H+]2CC[C@H](N3CC[C@H]([NH+]4CCCCC4)C3)C2)cc1 ZINC000271437392 427538970 /nfs/dbraw/zinc/53/89/70/427538970.db2.gz RCASYOLNUQGKCW-PMACEKPBSA-N 2 0 313.489 2.821 20 0 DFADRP C[C@H](CN1CCC[C@@H](C)C1)[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000298233397 427541681 /nfs/dbraw/zinc/54/16/81/427541681.db2.gz BMVBLQNSDKCBEP-IAGOWNOFSA-N 2 0 316.493 2.760 20 0 DFADRP CCC[N@H+](CC)Cc1ccc(C(=O)NC[C@@H]2CCC[NH+]2C)cc1 ZINC000263697690 427544192 /nfs/dbraw/zinc/54/41/92/427544192.db2.gz RPJLDLVNFMPDRR-SFHVURJKSA-N 2 0 317.477 2.743 20 0 DFADRP CC[NH+]1CCN(C[C@H](C)C[NH2+]CCc2cccc(Cl)c2)CC1 ZINC000298275436 427556229 /nfs/dbraw/zinc/55/62/29/427556229.db2.gz GQCPCBQLOULELZ-MRXNPFEDSA-N 2 0 323.912 2.746 20 0 DFADRP Clc1ccc(C[NH2+]C2CCN(c3cc[nH+]cc3)CC2)cn1 ZINC000298466333 427618043 /nfs/dbraw/zinc/61/80/43/427618043.db2.gz OSKBVCMWVOQXOJ-UHFFFAOYSA-N 2 0 302.809 2.889 20 0 DFADRP C[C@@H]1COCC[C@@H]1[NH2+]C[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000192536408 427558969 /nfs/dbraw/zinc/55/89/69/427558969.db2.gz DGNUVCQUAIFKPL-NEWSRXKRSA-N 2 0 302.462 2.566 20 0 DFADRP Cc1nc(CN2CCC(C[NH2+][C@H]3CCOC[C@H]3C)CC2)oc1C ZINC000192538413 427560686 /nfs/dbraw/zinc/56/06/86/427560686.db2.gz AFLDDIWLICGPCF-DYVFJYSZSA-N 2 0 321.465 2.518 20 0 DFADRP C[C@@H](CNC1CC[NH+](C2CC2)CC1)[N@H+](C)Cc1ccccc1 ZINC000298320865 427568775 /nfs/dbraw/zinc/56/87/75/427568775.db2.gz IHABJTXXFFVNKR-INIZCTEOSA-N 2 0 301.478 2.723 20 0 DFADRP Fc1cccc(OCC[NH2+]C2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000298318033 427569579 /nfs/dbraw/zinc/56/95/79/427569579.db2.gz IFNVGRABNVKQMG-UHFFFAOYSA-N 2 0 315.392 2.858 20 0 DFADRP CCOCC[NH+](C)Cc1cccc(C[N@@H+](C)CCOCC)c1 ZINC000271526669 427572847 /nfs/dbraw/zinc/57/28/47/427572847.db2.gz WPBRBJVIBAAGQL-UHFFFAOYSA-N 2 0 308.466 2.623 20 0 DFADRP C[C@@H](Cc1ccc(O)cc1)[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000298335044 427574963 /nfs/dbraw/zinc/57/49/63/427574963.db2.gz JAOXPKCVIAAEGG-HNNXBMFYSA-N 2 0 311.429 2.977 20 0 DFADRP C[C@H](Cc1ccc(O)cc1)[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000298335050 427575040 /nfs/dbraw/zinc/57/50/40/427575040.db2.gz JAOXPKCVIAAEGG-OAHLLOKOSA-N 2 0 311.429 2.977 20 0 DFADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]Cc1ccc(N2CCCC2=O)cc1 ZINC000192702303 427590021 /nfs/dbraw/zinc/59/00/21/427590021.db2.gz RCYHNKUVWSJPOP-IIDMSEBBSA-N 2 0 315.461 2.632 20 0 DFADRP C[C@H]1C[C@H]([NH2+]CC2=CC[NH+](C)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000271912233 427594373 /nfs/dbraw/zinc/59/43/73/427594373.db2.gz YCAGWXHXFWYDGJ-FXAWDEMLSA-N 3 0 313.489 2.891 20 0 DFADRP C[C@@H]([NH2+]CC1CC[NH+](Cc2ccccc2)CC1)c1ccnn1C ZINC000192734366 427598272 /nfs/dbraw/zinc/59/82/72/427598272.db2.gz OQHSZRSEKPWBEQ-MRXNPFEDSA-N 2 0 312.461 2.983 20 0 DFADRP CCCN(CC[NH+]1CCCC1)C(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC000342259627 271977609 /nfs/dbraw/zinc/97/76/09/271977609.db2.gz HJVJMMMFBJKEFA-QGZVFWFLSA-N 2 0 309.498 2.585 20 0 DFADRP CCn1cc(C[NH2+][C@@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)cn1 ZINC000272146963 427649127 /nfs/dbraw/zinc/64/91/27/427649127.db2.gz CMACAWYQOZICSQ-QFBILLFUSA-N 2 0 312.461 2.903 20 0 DFADRP CC(C)[C@@H](C[NH2+]Cc1sccc1Cl)N1CC[NH+](C)CC1 ZINC000192998648 427649083 /nfs/dbraw/zinc/64/90/83/427649083.db2.gz GEISNTBHTLBFPX-CQSZACIVSA-N 2 0 315.914 2.763 20 0 DFADRP Cc1nc2ccccc2n1C[C@H]1CCC[N@@H+]1CCc1cn[nH]c1 ZINC000298575938 427653131 /nfs/dbraw/zinc/65/31/31/427653131.db2.gz XIOXQTBBWFENIV-MRXNPFEDSA-N 2 0 309.417 2.775 20 0 DFADRP CCn1nccc1C1CC[NH+](Cc2cccc3nccn32)CC1 ZINC000279369505 427654017 /nfs/dbraw/zinc/65/40/17/427654017.db2.gz HTUCCYLAQHCKNL-UHFFFAOYSA-N 2 0 309.417 2.930 20 0 DFADRP C[C@H]1CC2(C[N@@H+]1Cc1nc(-c3cccs3)no1)CC[NH2+]CC2 ZINC000333601126 427656747 /nfs/dbraw/zinc/65/67/47/427656747.db2.gz QLBRFAGXWLLEQN-LBPRGKRZSA-N 2 0 318.446 2.762 20 0 DFADRP C[C@H]([NH2+]C[C@H]1CCCOC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272164030 427656907 /nfs/dbraw/zinc/65/69/07/427656907.db2.gz GHBOMBZGYASNMM-QXAKKESOSA-N 2 0 302.462 2.913 20 0 DFADRP C[C@H]1C[N@H+](C)CC[C@H]1NCc1ccc(OC(F)F)c(F)c1 ZINC000339066549 427659592 /nfs/dbraw/zinc/65/95/92/427659592.db2.gz FUYNYUUJYXZTCD-GXFFZTMASA-N 2 0 302.340 2.857 20 0 DFADRP COc1ccccc1C1(C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000339068591 427660073 /nfs/dbraw/zinc/66/00/73/427660073.db2.gz RMIKZEVFRQBBKL-JKSUJKDBSA-N 2 0 300.446 2.943 20 0 DFADRP [NH3+]C1(c2noc(C3C[NH+](C4CCCCC4)C3)n2)CCCCC1 ZINC000333615058 427660313 /nfs/dbraw/zinc/66/03/13/427660313.db2.gz SOHARRZENPKVQS-UHFFFAOYSA-N 2 0 304.438 2.920 20 0 DFADRP O[C@H](C[NH+]1CCC(C[NH+]2CCCC2)CC1)c1ccccc1F ZINC000193076944 427660371 /nfs/dbraw/zinc/66/03/71/427660371.db2.gz UKBXFCFTXVINJC-GOSISDBHSA-N 2 0 306.425 2.667 20 0 DFADRP C[C@@H]1COCC[C@@H]1C[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000287678446 427669340 /nfs/dbraw/zinc/66/93/40/427669340.db2.gz WDSFGKDPFBKSMQ-IEBWSBKVSA-N 2 0 316.489 2.956 20 0 DFADRP C[C@H](CCc1ccccc1)C[NH+]1CCC([N@H+](C)CCO)CC1 ZINC000342952573 272070793 /nfs/dbraw/zinc/07/07/93/272070793.db2.gz PSDVZOQOCWGIDD-QGZVFWFLSA-N 2 0 304.478 2.644 20 0 DFADRP COCCCOc1ccc(C[NH2+][C@@H]2C[C@H](C)[N@H+](C)C[C@@H]2C)cc1 ZINC000287690512 427670713 /nfs/dbraw/zinc/67/07/13/427670713.db2.gz WROCHZLDQYJYMA-TXPKVOOTSA-N 2 0 320.477 2.920 20 0 DFADRP C[C@@H]1CN(C)C[C@H]1[NH2+]Cc1ccccc1C[NH+]1CCCCC1 ZINC000343031784 272077210 /nfs/dbraw/zinc/07/72/10/272077210.db2.gz BTRMXBSIPBAXTG-VQIMIIECSA-N 2 0 301.478 2.712 20 0 DFADRP CCC[C@@H](C(=O)NC[C@@H](C(C)C)[NH+]1CCC(C)CC1)[NH+](C)C ZINC000343097504 272085927 /nfs/dbraw/zinc/08/59/27/272085927.db2.gz UAUIIXJTXZIDCK-IRXDYDNUSA-N 2 0 311.514 2.589 20 0 DFADRP CC1CCC2(CC1)OC[C@H](C[NH2+]C1C[C@H]3CC[C@@H](C1)[N@H+]3C)O2 ZINC000193108159 427666947 /nfs/dbraw/zinc/66/69/47/427666947.db2.gz ONPAXNLXLQIWTH-SOPAXANKSA-N 2 0 308.466 2.523 20 0 DFADRP CCSc1cccc(C[NH2+]C[C@H](C)N2CC[NH+](C)CC2)c1 ZINC000185518598 427667123 /nfs/dbraw/zinc/66/71/23/427667123.db2.gz ZIYVRHZVOLMZJZ-HNNXBMFYSA-N 2 0 307.507 2.524 20 0 DFADRP CO[C@@H]1C[C@H](CN(C)c2cc(C)[nH+]c3ccc(F)cc32)[N@H+](C)C1 ZINC000343300281 272114891 /nfs/dbraw/zinc/11/48/91/272114891.db2.gz DXFFVQHLQIFZQA-HUUCEWRRSA-N 2 0 317.408 2.838 20 0 DFADRP CC[NH+](CC)CCOCC[NH2+][C@H]1CCc2cc(F)c(OC)cc21 ZINC000343446773 272148784 /nfs/dbraw/zinc/14/87/84/272148784.db2.gz MENMKLFNFJDPAZ-KRWDZBQOSA-N 2 0 324.440 2.770 20 0 DFADRP C[C@H]1CN(C)C[C@H]1[NH2+]Cc1cccc(NC(=O)C2CCCC2)c1 ZINC000343484545 272157655 /nfs/dbraw/zinc/15/76/55/272157655.db2.gz WCCYCJDLPJVCRW-KBXCAEBGSA-N 2 0 315.461 2.855 20 0 DFADRP C[C@@H]1CN(C)C[C@@H]1[NH2+]Cc1ccccc1C[N@@H+]1CCC[C@@H](C)C1 ZINC000343494087 272159330 /nfs/dbraw/zinc/15/93/30/272159330.db2.gz IURFFSUAJZHCKI-HLIPFELVSA-N 2 0 315.505 2.958 20 0 DFADRP CC[N@@H+]1C[C@@H](C)[C@@H](NC2CC[NH+](Cc3ccccc3C)CC2)C1 ZINC000343575521 272174635 /nfs/dbraw/zinc/17/46/35/272174635.db2.gz QTEJMYDOZXJZCA-XLIONFOSSA-N 2 0 315.505 2.889 20 0 DFADRP CCC[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1CC[NH+](C2CCCCC2)C1 ZINC000343655854 272194694 /nfs/dbraw/zinc/19/46/94/272194694.db2.gz IPJVUJOWBZQYCJ-FUHWJXTLSA-N 2 0 321.509 2.632 20 0 DFADRP C[C@@H]1CCC[C@@H](C[N@@H+]2CCN(C3CC[NH+](C)CC3)[C@@H](C)C2)C1 ZINC000343720461 272207346 /nfs/dbraw/zinc/20/73/46/272207346.db2.gz VFRVHNIEIONIPF-FGTMMUONSA-N 2 0 307.526 2.913 20 0 DFADRP C[N@@H+](Cc1ccccc1)CC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000343733406 272209118 /nfs/dbraw/zinc/20/91/18/272209118.db2.gz JSIKHAXRMFIZMD-IBGZPJMESA-N 2 0 302.462 2.867 20 0 DFADRP C[C@@H]1CC[C@H]([NH2+]Cc2ccncc2OCC[NH+](C)C)[C@H](C)C1 ZINC000343948327 272242183 /nfs/dbraw/zinc/24/21/83/272242183.db2.gz XYDHIUNJYYNANH-INMHGKMJSA-N 2 0 305.466 2.936 20 0 DFADRP C[NH+](C)CCOc1cnccc1C[NH2+][C@H]1CC[C@@H]1C(C)(C)C ZINC000343982072 272246668 /nfs/dbraw/zinc/24/66/68/272246668.db2.gz KTBGUTXHEDQGCO-HOTGVXAUSA-N 2 0 305.466 2.936 20 0 DFADRP CC[NH+]1CCN([C@@H](C)C[NH2+][C@H]2CCCc3ccc(F)cc32)CC1 ZINC000344109809 272264755 /nfs/dbraw/zinc/26/47/55/272264755.db2.gz YHDAVHVKOWADPY-KXBFYZLASA-N 2 0 319.468 2.819 20 0 DFADRP c1cn(-c2csc(C[NH2+][C@H]3CC[N@@H+]4CCC[C@H]4C3)c2)cn1 ZINC000344162602 272276736 /nfs/dbraw/zinc/27/67/36/272276736.db2.gz IMQHMHAWZBTCHR-KBPBESRZSA-N 2 0 302.447 2.650 20 0 DFADRP c1cn(-c2csc(C[NH2+][C@@H]3CC[N@@H+]4CCC[C@@H]4C3)c2)cn1 ZINC000344162605 272276839 /nfs/dbraw/zinc/27/68/39/272276839.db2.gz IMQHMHAWZBTCHR-ZIAGYGMSSA-N 2 0 302.447 2.650 20 0 DFADRP CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)[C@@H]2CC[NH+](C)[C@H](C)C2)C1 ZINC000344243733 272296032 /nfs/dbraw/zinc/29/60/32/272296032.db2.gz VSYAONYXTUKSJT-BRWVUGGUSA-N 2 0 323.525 2.734 20 0 DFADRP CCCCO[C@@H]1C[C@@H]([NH2+][C@@H](C)CCN2CCOCC2)C1(C)C ZINC000344292504 272306203 /nfs/dbraw/zinc/30/62/03/272306203.db2.gz PIKPXWFTJXKQMZ-GVDBMIGSSA-N 2 0 312.498 2.671 20 0 DFADRP C[C@H]1C[C@H]([NH2+]Cc2c[nH]nc2-c2ccccc2F)CC[N@@H+]1C ZINC000344633268 272349922 /nfs/dbraw/zinc/34/99/22/272349922.db2.gz RHTLTDGXRAETLC-GXTWGEPZSA-N 2 0 302.397 2.788 20 0 DFADRP C[C@@H]([NH2+]C[C@H](O)c1ccccc1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185678208 427689409 /nfs/dbraw/zinc/68/94/09/427689409.db2.gz XZELOUXRFLMRIM-AYBZRNKSSA-N 2 0 302.462 2.963 20 0 DFADRP O=C(Nc1ccccc1)C1CC[NH+](CCC[NH+]2CCCC2)CC1 ZINC000193465971 427695138 /nfs/dbraw/zinc/69/51/38/427695138.db2.gz QVBVRSFUFIKTDM-UHFFFAOYSA-N 2 0 315.461 2.823 20 0 DFADRP C[N@H+]1C[C@H]2CN(CCCc3ccccc3Br)C[C@H]2C1 ZINC000193645545 427702062 /nfs/dbraw/zinc/70/20/62/427702062.db2.gz XIIBHBHRNMXMII-GASCZTMLSA-N 2 0 323.278 2.875 20 0 DFADRP [NH3+]C1(CN[C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)C2CC3CC(C2)CC1C3 ZINC000333886217 427703207 /nfs/dbraw/zinc/70/32/07/427703207.db2.gz XHIZWLSCMGPWGC-NTHKBKOYSA-N 2 0 317.521 2.650 20 0 DFADRP OCCCN1CCC[C@H]([NH2+]CCCCCOc2ccccc2)C1 ZINC000295141065 427709789 /nfs/dbraw/zinc/70/97/89/427709789.db2.gz PVLUZOIMSONRSP-SFHVURJKSA-N 2 0 320.477 2.672 20 0 DFADRP CC[C@H]([NH2+]C[C@H](C(C)C)N1CC[NH+](C)CC1)c1ccc(F)cn1 ZINC000336872172 427768594 /nfs/dbraw/zinc/76/85/94/427768594.db2.gz LANCCYWWYCFXHQ-FUHWJXTLSA-N 2 0 322.472 2.533 20 0 DFADRP CC[C@H]([NH2+]C[C@@H](C(C)C)N1CC[NH+](C)CC1)c1ccc(F)cn1 ZINC000336872174 427768728 /nfs/dbraw/zinc/76/87/28/427768728.db2.gz LANCCYWWYCFXHQ-WMZOPIPTSA-N 2 0 322.472 2.533 20 0 DFADRP CCn1ccnc1C[N@H+](CCC(C)C)[C@@H]1CC12CC[NH2+]CC2 ZINC000339409013 427769760 /nfs/dbraw/zinc/76/97/60/427769760.db2.gz WABBDVULQWMKHO-MRXNPFEDSA-N 2 0 304.482 2.893 20 0 DFADRP CCCCN(CCCC)C(=O)CN1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000339433313 427774171 /nfs/dbraw/zinc/77/41/71/427774171.db2.gz OJBWXQYTATYAOV-LJQANCHMSA-N 2 0 323.525 2.833 20 0 DFADRP C[NH+]1CCN(CCC(C)(C)[NH2+]Cc2cccc3[nH]ccc32)CC1 ZINC000185892362 427725432 /nfs/dbraw/zinc/72/54/32/427725432.db2.gz YMWBEHSPPVHILU-UHFFFAOYSA-N 2 0 314.477 2.674 20 0 DFADRP C([C@@H]1CCCO1)[NH+]1CCCC2(CCC[N@@H+](C[C@@H]3CCCO3)C2)C1 ZINC000339204736 427729025 /nfs/dbraw/zinc/72/90/25/427729025.db2.gz VNYMWHCPWDJUIJ-ADUPEVMXSA-N 2 0 322.493 2.522 20 0 DFADRP Cc1cc(Cl)cc(C[NH2+]CCCC[N@@H+]2CCC[C@H]2CO)c1 ZINC000339250188 427741584 /nfs/dbraw/zinc/74/15/84/427741584.db2.gz YQBVJJZQQZTCGK-KRWDZBQOSA-N 2 0 310.869 2.975 20 0 DFADRP Cc1cc(Cl)cc(C[NH2+]CCCC[N@@H+]2CCC[C@@H]2CO)c1 ZINC000339250190 427742402 /nfs/dbraw/zinc/74/24/02/427742402.db2.gz YQBVJJZQQZTCGK-QGZVFWFLSA-N 2 0 310.869 2.975 20 0 DFADRP C[C@H]([NH2+][C@@H]1CCN(C2CC2)C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000336656301 427746497 /nfs/dbraw/zinc/74/64/97/427746497.db2.gz MAAGTHUAWMUGNF-QXAKKESOSA-N 2 0 313.489 2.723 20 0 DFADRP CC[C@@H](Cn1cncn1)[NH2+]Cc1ccccc1C[NH+](CC)CC ZINC000340470580 427857273 /nfs/dbraw/zinc/85/72/73/427857273.db2.gz OLUVBAXJFPABTP-SFHVURJKSA-N 2 0 315.465 2.688 20 0 DFADRP CC[C@H]1CN(c2cc(C)[nH+]c3ccccc32)CC[N@@H+]1C[C@@H](C)O ZINC000301410679 427794430 /nfs/dbraw/zinc/79/44/30/427794430.db2.gz OWALKQRGVKQDLB-CVEARBPZSA-N 2 0 313.445 2.825 20 0 DFADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)CC1CC(C)(C)C1 ZINC000339656031 427807984 /nfs/dbraw/zinc/80/79/84/427807984.db2.gz ZWBTWNOPLHNXNE-KRWDZBQOSA-N 2 0 323.525 2.687 20 0 DFADRP CC(C)C[C@H](C)C[NH+]1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000337194660 427813079 /nfs/dbraw/zinc/81/30/79/427813079.db2.gz WJCDTENKTHPXRM-HTUJPFKRSA-N 2 0 307.526 2.911 20 0 DFADRP CCc1cc(N2CC[N@H+](CCOC)[C@@H](C)C2)c2ccccc2[nH+]1 ZINC000301769118 427822418 /nfs/dbraw/zinc/82/24/18/427822418.db2.gz CVYWFBRHCQVTGM-HNNXBMFYSA-N 2 0 313.445 2.954 20 0 DFADRP CCc1cc(N2CC[NH+]([C@@H](C)COC)CC2)c2ccccc2[nH+]1 ZINC000301764515 427822458 /nfs/dbraw/zinc/82/24/58/427822458.db2.gz AUDCHGDNHGYGEQ-HNNXBMFYSA-N 2 0 313.445 2.954 20 0 DFADRP C[C@@H]1CCC[C@](CNC(=O)c2ccc3c[nH+]cn3c2)([NH+](C)C)C1 ZINC000339816568 427834473 /nfs/dbraw/zinc/83/44/73/427834473.db2.gz SNFSTUXURWRXBI-KDOFPFPSSA-N 2 0 314.433 2.575 20 0 DFADRP COCCN1CCC[C@H]1C[NH2+][C@H](c1ccc(F)cc1)C1CC1 ZINC000359397935 427835177 /nfs/dbraw/zinc/83/51/77/427835177.db2.gz ZAFRSYUJGHLTOV-ROUUACIJSA-N 2 0 306.425 2.977 20 0 DFADRP CC(C)[C@H](C(=O)N1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1)[NH+](C)C ZINC000349656407 427837655 /nfs/dbraw/zinc/83/76/55/427837655.db2.gz PPTSKYDESGRKPV-KZNAEPCWSA-N 2 0 323.525 2.686 20 0 DFADRP C[C@H]1C[N@H+](C)CC[C@@H]1[NH2+]CCc1cccc(C(F)(F)F)n1 ZINC000340436620 427847959 /nfs/dbraw/zinc/84/79/59/427847959.db2.gz SPJHFXDSVJZOPF-AAEUAGOBSA-N 2 0 301.356 2.573 20 0 DFADRP CCSCC[NH2+]CCCN1CC[N@H+](C)C[C@@H]1c1ccccc1 ZINC000355733599 427866267 /nfs/dbraw/zinc/86/62/67/427866267.db2.gz MAIPWWCAKHGFFV-GOSISDBHSA-N 2 0 321.534 2.708 20 0 DFADRP CC[N@H+](C)CCNc1cc(C)[nH+]c2ccc(OC(F)F)cc12 ZINC000359481292 427869436 /nfs/dbraw/zinc/86/94/36/427869436.db2.gz NGLSQLZDGWDUDP-UHFFFAOYSA-N 2 0 309.360 2.930 20 0 DFADRP C[C@@H]1CCC[C@@H]([NH2+]CCN2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000302795932 427873594 /nfs/dbraw/zinc/87/35/94/427873594.db2.gz IPVSAGSLWMRAMD-UYAOXDASSA-N 2 0 315.505 2.973 20 0 DFADRP c1ccc(C[NH+]2CCN(CC[NH2+][C@@H]3CCC34CCC4)CC2)cc1 ZINC000337379819 427874527 /nfs/dbraw/zinc/87/45/27/427874527.db2.gz CSOYZTGLBZRAKF-LJQANCHMSA-N 2 0 313.489 2.727 20 0 DFADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)[C@@H]2CCCC[C@]2(C)[NH3+])C1 ZINC000345745833 427887296 /nfs/dbraw/zinc/88/72/96/427887296.db2.gz ATFSPKUUVRFTFF-ZMMAXQRCSA-N 2 0 323.525 2.768 20 0 DFADRP C[NH+]1CCC(C)(C[NH2+]Cc2cnn(-c3ccc(F)cc3)c2)CC1 ZINC000355781255 427889510 /nfs/dbraw/zinc/88/95/10/427889510.db2.gz WGSVXEKXPLSVDS-UHFFFAOYSA-N 2 0 316.424 2.833 20 0 DFADRP C[C@H](C(=O)N[C@@H](C)C[N@H+]1C[C@H](C)C[C@H](C)C1)[NH+]1CCCCCC1 ZINC000345775767 427901392 /nfs/dbraw/zinc/90/13/92/427901392.db2.gz JENALPSPENXELU-XWTMOSNGSA-N 2 0 323.525 2.734 20 0 DFADRP C[C@@H](CNC(=O)c1cccc(C[NH+](C)C)c1)[N@@H+]1CCCC[C@@H]1C ZINC000355823688 427908434 /nfs/dbraw/zinc/90/84/34/427908434.db2.gz YXUZNICJNUBNEP-HOTGVXAUSA-N 2 0 317.477 2.741 20 0 DFADRP CC[C@@H](C(=O)NCC(C)(C)[N@@H+]1CCC[C@@H](C)C1)[NH+](CC)CC ZINC000345808969 427915643 /nfs/dbraw/zinc/91/56/43/427915643.db2.gz SYLCJXNFENRSID-CVEARBPZSA-N 2 0 311.514 2.734 20 0 DFADRP c1cc(CCC[N@@H+]2CCC3(C2)CC[NH2+]CC3)cc2c1OCC2 ZINC000340676572 427924903 /nfs/dbraw/zinc/92/49/03/427924903.db2.gz QRLTXAJWDULQHI-UHFFFAOYSA-N 2 0 300.446 2.630 20 0 DFADRP C[C@H](C[NH2+][C@@H](C)c1cccc(C2CC2)c1)N1CC[NH+](C)CC1 ZINC000340227870 427959599 /nfs/dbraw/zinc/95/95/99/427959599.db2.gz FQQKXRQWJRCUDU-CVEARBPZSA-N 2 0 301.478 2.851 20 0 DFADRP CCC[C@@H](C)CC(=O)N(CC[NH+](C)C)C[C@H]1CCC[N@@H+]1CC ZINC000337567134 427962170 /nfs/dbraw/zinc/96/21/70/427962170.db2.gz ALINYKFLXQPRMK-IAGOWNOFSA-N 2 0 311.514 2.687 20 0 DFADRP CCC(C)(C)[NH2+][C@@H](C)C(=O)Nc1cccc(OCC[NH+](C)C)c1 ZINC000355981830 427970658 /nfs/dbraw/zinc/97/06/58/427970658.db2.gz AKPMUTAMWFWVEK-AWEZNQCLSA-N 2 0 321.465 2.732 20 0 DFADRP COc1cc(C[NH2+]Cc2cnc3n2CCCC3)cc(OC)c1 ZINC000376727259 427988233 /nfs/dbraw/zinc/98/82/33/427988233.db2.gz CQKIPHZIECFYIV-UHFFFAOYSA-N 2 0 301.390 2.526 20 0 DFADRP Nc1ncc(C[NH+]2CCC(CCC[NH+]3CCCC3)CC2)s1 ZINC000340710991 427933452 /nfs/dbraw/zinc/93/34/52/427933452.db2.gz PHDLQTAVYJFQCE-UHFFFAOYSA-N 2 0 308.495 2.813 20 0 DFADRP CCC[NH+](CCC)CCCC(=O)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000337499973 427934955 /nfs/dbraw/zinc/93/49/55/427934955.db2.gz ALVWARBBXXVDJG-GOSISDBHSA-N 2 0 323.525 2.975 20 0 DFADRP CC[N@@H+]1CCC[C@@H]1CN[C@@H]1CC[NH+](C)[C@@H](c2ccccc2)C1 ZINC000340180311 427948276 /nfs/dbraw/zinc/94/82/76/427948276.db2.gz HKNXPBOQXHJMFQ-GUDVDZBRSA-N 2 0 301.478 2.896 20 0 DFADRP CC(C)[N@H+](C)CCC[NH2+][C@H]1CCN(Cc2ccccn2)C[C@H]1C ZINC000359641228 427949192 /nfs/dbraw/zinc/94/91/92/427949192.db2.gz MVQXSNUGZQDNRG-MJGOQNOKSA-N 2 0 318.509 2.612 20 0 DFADRP C[C@@H]([NH2+]Cc1cccc(OCC[NH+](C)C)c1)[C@@]1(C)CCCO1 ZINC000340189068 427949365 /nfs/dbraw/zinc/94/93/65/427949365.db2.gz UNUYMWHUBZKFNZ-CRAIPNDOSA-N 2 0 306.450 2.674 20 0 DFADRP CC[N@@H+]1CC[C@H](CN[C@@H]2CC[NH+](C)[C@@H](c3ccccc3)C2)C1 ZINC000340188861 427949828 /nfs/dbraw/zinc/94/98/28/427949828.db2.gz QNRKMVFADNEHJW-BHIYHBOVSA-N 2 0 301.478 2.753 20 0 DFADRP CC[C@H]([NH2+]C[C@@H]1CC[N@H+](CC)C1)c1ccc(C(=O)OC)cc1 ZINC000340188850 427950032 /nfs/dbraw/zinc/95/00/32/427950032.db2.gz QKLQEKKEZUCRJT-YOEHRIQHSA-N 2 0 304.434 2.856 20 0 DFADRP C[C@@H]([NH2+]CCCC[NH+]1C[C@@H](C)O[C@H](C)C1)c1ccncc1F ZINC000340207860 427953608 /nfs/dbraw/zinc/95/36/08/427953608.db2.gz YODADNWTHZCKSE-RBSFLKMASA-N 2 0 309.429 2.761 20 0 DFADRP CC[C@H](C(=O)NC[C@H](c1ccccc1)[NH+](C)C)[NH+](CC)CC ZINC000345925562 427953596 /nfs/dbraw/zinc/95/35/96/427953596.db2.gz DCUSRHKZIQFCSO-IAGOWNOFSA-N 2 0 305.466 2.526 20 0 DFADRP CC[C@H](C(=O)N(CC(C)C)C1CC[NH+](C)CC1)[NH+](CC)CC ZINC000359796232 428020949 /nfs/dbraw/zinc/02/09/49/428020949.db2.gz NFFPBTAPBXZSEA-QGZVFWFLSA-N 2 0 311.514 2.686 20 0 DFADRP CC(C)[C@@H]1C[C@H]([NH2+]CCCC[NH+]2C[C@@H](C)O[C@H](C)C2)CCO1 ZINC000346127539 428027792 /nfs/dbraw/zinc/02/77/92/428027792.db2.gz IFXQXEAYEJORHU-TVFCKZIOSA-N 2 0 312.498 2.669 20 0 DFADRP C[C@@H](O)C[C@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000341332933 428034097 /nfs/dbraw/zinc/03/40/97/428034097.db2.gz XSRTWAQJFREQBA-AKPRKHDMSA-N 2 0 302.462 2.931 20 0 DFADRP C[C@@H]1C[C@H](CC[NH2+][C@@H]2CC[N@H+](C[C@@H]3CCCO3)C[C@@H]2C)CCO1 ZINC000359864195 428051181 /nfs/dbraw/zinc/05/11/81/428051181.db2.gz AUYVWWHSBBVSTB-BRIYLRKRSA-N 2 0 324.509 2.671 20 0 DFADRP CC(C)[NH+](CCN(C)C(=O)[C@H](C)[NH+]1CCCCCC1)C(C)C ZINC000356177640 428054654 /nfs/dbraw/zinc/05/46/54/428054654.db2.gz PEKPEKSIESOSHH-KRWDZBQOSA-N 2 0 311.514 2.828 20 0 DFADRP COc1cc(C[NH2+]C[C@@H]2CCC[C@H]2N2CCOCC2)ccc1C ZINC000377085213 428054931 /nfs/dbraw/zinc/05/49/31/428054931.db2.gz XMOMFPGCONNRNX-ZWKOTPCHSA-N 2 0 318.461 2.594 20 0 DFADRP CCCC[N@H+](CCOC)Cc1cn(-c2cc[nH+]cc2)nc1C ZINC000346184738 428057741 /nfs/dbraw/zinc/05/77/41/428057741.db2.gz XEIDXGGLXGZCHH-UHFFFAOYSA-N 2 0 302.422 2.824 20 0 DFADRP CCOC[C@@H]1CCC[N@H+](Cc2cn(-c3cc[nH+]cc3)nc2C)C1 ZINC000346186259 428058829 /nfs/dbraw/zinc/05/88/29/428058829.db2.gz YJFYGOSGOYRSLU-MRXNPFEDSA-N 2 0 314.433 2.824 20 0 DFADRP C[NH+](C)CCOCC[NH2+][C@H](Cc1ccccc1Cl)C1CC1 ZINC000340367106 428000473 /nfs/dbraw/zinc/00/04/73/428000473.db2.gz STTHTIFTCXPFMX-QGZVFWFLSA-N 2 0 310.869 2.829 20 0 DFADRP CCC[C@@H](C(=O)NC1CC[NH+](CC2CCCCC2)CC1)[NH+](C)C ZINC000376803173 428002871 /nfs/dbraw/zinc/00/28/71/428002871.db2.gz DYFQPFWDTZETNL-SFHVURJKSA-N 2 0 323.525 2.878 20 0 DFADRP Cn1cc([C@H]2[C@H](C[N@H+](C)CC3CCCC3)CCCN2C)cn1 ZINC000377168384 428075382 /nfs/dbraw/zinc/07/53/82/428075382.db2.gz LAAFUERVPDCNOJ-FUHWJXTLSA-N 2 0 304.482 2.925 20 0 DFADRP C[C@H](CC[NH2+]C1CCN(CC(F)F)CC1)[NH+]1CCCCC1 ZINC000346265509 428099873 /nfs/dbraw/zinc/09/98/73/428099873.db2.gz HGPCMHKHSNIWBJ-CQSZACIVSA-N 2 0 303.441 2.570 20 0 DFADRP CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000346288099 428107987 /nfs/dbraw/zinc/10/79/87/428107987.db2.gz PBTHXAWPCZHUQN-QZTJIDSGSA-N 2 0 317.477 2.614 20 0 DFADRP [NH3+][C@H]1CCC[C@@H](C(=O)N2CCC(CCC[NH+]3CCCC3)CC2)C1 ZINC000346291823 428110280 /nfs/dbraw/zinc/11/02/80/428110280.db2.gz QVRLZAAPZJAVBS-MSOLQXFVSA-N 2 0 321.509 2.619 20 0 DFADRP CN(CC[C@H]1CCCC[N@@H+]1C)Cc1nc2cccnc2s1 ZINC000341573494 428110808 /nfs/dbraw/zinc/11/08/08/428110808.db2.gz DSLPMWZHXTUQJZ-CYBMUJFWSA-N 2 0 304.463 2.998 20 0 DFADRP CC[C@@H](c1ccccc1OC)N(C)C[C@@H](O)C[N@H+](C)C1CC1 ZINC000351967404 428119184 /nfs/dbraw/zinc/11/91/84/428119184.db2.gz LIEGNXWVCIIDIB-RDJZCZTQSA-N 2 0 306.450 2.533 20 0 DFADRP CC[NH+]1CCN(Cc2ccc(C[NH2+][C@H](C)C(C)C)cc2)CC1 ZINC000360028536 428124077 /nfs/dbraw/zinc/12/40/77/428124077.db2.gz FZVMZULVHDNPAX-QGZVFWFLSA-N 2 0 303.494 2.958 20 0 DFADRP OCC[N@H+](Cc1cc(-n2ccnc2)cs1)Cc1ccccc1 ZINC000346201901 428066390 /nfs/dbraw/zinc/06/63/90/428066390.db2.gz HZXXOPPMZUAHEH-UHFFFAOYSA-N 2 0 313.426 2.928 20 0 DFADRP CCN(CC[NH+]1CCCCCC1)C(=O)C1CC[NH+](C2CC2)CC1 ZINC000346348878 428136537 /nfs/dbraw/zinc/13/65/37/428136537.db2.gz KKGAVPSPZMZWSB-UHFFFAOYSA-N 2 0 321.509 2.585 20 0 DFADRP COc1cccc([C@@H](C)[NH2+][C@@H]2CCN(C3CC[NH+](C)CC3)C2)c1 ZINC000370110580 428137617 /nfs/dbraw/zinc/13/76/17/428137617.db2.gz ISSBBPJGVUQIPJ-NVXWUHKLSA-N 2 0 317.477 2.514 20 0 DFADRP [NH3+]CCC[N@@H+](Cc1c[nH]nc1-c1cccnc1)CC1CCCC1 ZINC000352540552 428142225 /nfs/dbraw/zinc/14/22/25/428142225.db2.gz MOXSHORAIUTGGM-UHFFFAOYSA-N 2 0 313.449 2.813 20 0 DFADRP CC(C)[C@@H](C)[NH2+]CCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000360070582 428142736 /nfs/dbraw/zinc/14/27/36/428142736.db2.gz FSBMUOCNPAIFOL-GOSISDBHSA-N 2 0 303.494 2.828 20 0 DFADRP COCCN1CCC[C@H]1C[NH2+]C1CC(c2cc(F)cc(F)c2)C1 ZINC000377548325 428156221 /nfs/dbraw/zinc/15/62/21/428156221.db2.gz GMTPMIPLDRFUCU-UYJHFMRCSA-N 2 0 324.415 2.911 20 0 DFADRP C[N@H+](CC[C@@H]1CCCO1)[C@@H]1CCC[NH+](CC[C@@H]2CCCO2)CC1 ZINC000346424559 428163920 /nfs/dbraw/zinc/16/39/20/428163920.db2.gz CTIATEXLQDMEDU-QYZOEREBSA-N 2 0 324.509 2.911 20 0 DFADRP Cc1cccc(C[N@H+]2CCC[C@H](CN3CC[NH+](C)CC3)C2)c1C ZINC000377623450 428173573 /nfs/dbraw/zinc/17/35/73/428173573.db2.gz JLFZACOOCCJGGC-LJQANCHMSA-N 2 0 315.505 2.763 20 0 DFADRP CC[N@@H+]1CC[C@H]([NH+](C)CCOCC(F)(F)C(F)F)C[C@@H]1C ZINC000346444926 428174136 /nfs/dbraw/zinc/17/41/36/428174136.db2.gz MLMRBDXGFMMXNH-RYUDHWBXSA-N 2 0 314.367 2.708 20 0 DFADRP COc1cccc(C[N@@H+]2CC[C@H](CNc3cc(C)cc[nH+]3)C2)n1 ZINC000377647109 428181229 /nfs/dbraw/zinc/18/12/29/428181229.db2.gz LNSGHWMVRSXENK-OAHLLOKOSA-N 2 0 312.417 2.728 20 0 DFADRP c1ccc(C[NH+]2CC[C@@H]3C[N@@H+](CC[C@@H]4CCOC4)C[C@H]3C2)cc1 ZINC000356517020 428212722 /nfs/dbraw/zinc/21/27/22/428212722.db2.gz GAPILWASZNHKMN-VAMGGRTRSA-N 2 0 314.473 2.867 20 0 DFADRP CCC(C)(C)[NH2+][C@@H](C)C(=O)N[C@H](C)C[N@H+](C)Cc1ccccc1 ZINC000356528269 428218788 /nfs/dbraw/zinc/21/87/88/428218788.db2.gz BIZQMTNAVUXEAX-CVEARBPZSA-N 2 0 319.493 2.790 20 0 DFADRP C[N@@H+]1CCC[C@@H](CC[NH2+][C@@H](c2ccccc2)c2ccncn2)C1 ZINC000414169063 428222322 /nfs/dbraw/zinc/22/23/22/428222322.db2.gz AWVHEDMXIYPDHJ-LPHOPBHVSA-N 2 0 310.445 2.888 20 0 DFADRP Cc1cc2ncc([C@@H](C)[NH2+]CC[C@H]3CCC[N@H+](C)C3)c(C)n2n1 ZINC000414169643 428222633 /nfs/dbraw/zinc/22/26/33/428222633.db2.gz BFZUEDBUUUUVJF-GDBMZVCRSA-N 2 0 315.465 2.729 20 0 DFADRP C[C@H]([NH2+]CC[C@H]1CCC[N@H+](C)C1)c1ccccc1-n1ccnn1 ZINC000414168619 428222756 /nfs/dbraw/zinc/22/27/56/428222756.db2.gz AODBIGINGVXNLG-JKSUJKDBSA-N 2 0 313.449 2.650 20 0 DFADRP CCO[C@@H]1C[C@@H]([NH2+]C2CC[NH+](C3CCC3)CC2)C12CCOCC2 ZINC000346574931 428225261 /nfs/dbraw/zinc/22/52/61/428225261.db2.gz QCUQSJNFORQPBX-QZTJIDSGSA-N 2 0 322.493 2.567 20 0 DFADRP Cn1nccc1[C@@H]1CCC[C@@H]([NH2+]Cc2ccc3c[nH+]cn3c2)C1 ZINC000414186701 428226371 /nfs/dbraw/zinc/22/63/71/428226371.db2.gz PGPFUAYYCDTJQJ-HZPDHXFCSA-N 2 0 309.417 2.884 20 0 DFADRP C[C@H]1CN(C2CC[NH+](CCSC(C)(C)C)CC2)CCO1 ZINC000370508647 428228042 /nfs/dbraw/zinc/22/80/42/428228042.db2.gz PZKJAICPSIUOIU-AWEZNQCLSA-N 2 0 300.512 2.703 20 0 DFADRP Cc1nccn1CCCC[N@@H+]1CCC[C@](O)(C(F)(F)F)CC1 ZINC000370553611 428238360 /nfs/dbraw/zinc/23/83/60/428238360.db2.gz HWRUEKWKRZOBBD-CQSZACIVSA-N 2 0 319.371 2.751 20 0 DFADRP Cc1cc(NC(=O)NC(C)(C)CC[NH+]2CCCCCC2)ccn1 ZINC000360166132 428187650 /nfs/dbraw/zinc/18/76/50/428187650.db2.gz PGVOALDPZCSUBG-UHFFFAOYSA-N 2 0 318.465 2.978 20 0 DFADRP COc1ccc(C[C@H](C)[NH2+]C2CC[NH+](CC(C)C)CC2)cn1 ZINC000414065445 428195590 /nfs/dbraw/zinc/19/55/90/428195590.db2.gz OQCULSGVYJCJIA-HNNXBMFYSA-N 2 0 305.466 2.731 20 0 DFADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+][C@H]1CCN(c2ccc(F)cc2)C1 ZINC000414351902 428266484 /nfs/dbraw/zinc/26/64/84/428266484.db2.gz SLMBEHNXBONBLM-DEICHXMPSA-N 2 0 305.441 2.723 20 0 DFADRP OC1(C[N@@H+]2CC[C@]3(CC[NH+](Cc4ccccc4)C3)C2)CCCC1 ZINC000352828714 428267970 /nfs/dbraw/zinc/26/79/70/428267970.db2.gz ZBFSOLOOPTWVQU-IBGZPJMESA-N 2 0 314.473 2.890 20 0 DFADRP CC[N@@H+]1CC[C@H](N[C@@H]2C[C@H]3CC[C@@H](C2)[NH+]3Cc2ccccc2)C1 ZINC000414347447 428268360 /nfs/dbraw/zinc/26/83/60/428268360.db2.gz QZUUIDOFWBHLMA-LWYYNNOASA-N 2 0 313.489 2.866 20 0 DFADRP COc1cc(C[N@H+](C)CC(C)(C)C[NH3+])cc(Cl)c1OC ZINC000346682730 428270813 /nfs/dbraw/zinc/27/08/13/428270813.db2.gz PLGUGSJIACIJOR-UHFFFAOYSA-N 2 0 300.830 2.774 20 0 DFADRP CC[N@@H+]1CCc2c(cccc2NC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC000370686082 428272705 /nfs/dbraw/zinc/27/27/05/428272705.db2.gz NUFAWOHYHSSJJB-KRWDZBQOSA-N 2 0 303.450 2.589 20 0 DFADRP C[C@@H]([NH2+]CCc1ccc(OCC[NH+](C)C)cc1)c1cccnc1 ZINC000356692043 428276145 /nfs/dbraw/zinc/27/61/45/428276145.db2.gz HCCKAXAXRJTBNP-MRXNPFEDSA-N 2 0 313.445 2.915 20 0 DFADRP C[C@@H]1C[C@@H](C[NH3+])C[N@@H+]1Cc1c[nH]nc1-c1ccc(Cl)cc1 ZINC000346692452 428276675 /nfs/dbraw/zinc/27/66/75/428276675.db2.gz ZAVQHQIIVZFSBX-NEPJUHHUSA-N 2 0 304.825 2.899 20 0 DFADRP C[C@@H]1C[C@H](C[NH3+])C[N@@H+]1Cc1ccc(OCc2ccncc2)cc1 ZINC000346693418 428277118 /nfs/dbraw/zinc/27/71/18/428277118.db2.gz NAPZSTKZYMMDDC-CRAIPNDOSA-N 2 0 311.429 2.830 20 0 DFADRP Cc1ccc(CN2CCC[C@@H](C[N@H+]3CCCC[C@@H]3C)C2)nn1 ZINC000414376472 428278311 /nfs/dbraw/zinc/27/83/11/428278311.db2.gz COQMAPCRSIFAER-DLBZAZTESA-N 2 0 302.466 2.871 20 0 DFADRP CSc1ccc(C[NH2+]CCN2CC[N@H+](C)C(C)(C)C2)s1 ZINC000352860315 428285485 /nfs/dbraw/zinc/28/54/85/428285485.db2.gz ANWDAXCYXUVZHD-UHFFFAOYSA-N 2 0 313.536 2.586 20 0 DFADRP CC[N@@H+]1CCc2c(cccc2NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC000378002342 428285626 /nfs/dbraw/zinc/28/56/26/428285626.db2.gz QNGTVHCOFJVLCT-GJZGRUSLSA-N 2 0 315.461 2.733 20 0 DFADRP CC[C@@H](C(=O)N[C@@H](C)C[NH+](C)C(C)C)[N@H+](C)Cc1ccccc1 ZINC000356740895 428290875 /nfs/dbraw/zinc/29/08/75/428290875.db2.gz LEBAEJVFEXCJNU-WMZOPIPTSA-N 2 0 319.493 2.742 20 0 DFADRP CCN(C(=O)[C@@H](C)[NH+]1CCC(C[NH+](C)C)CC1)C1CCCCC1 ZINC000356604054 428249956 /nfs/dbraw/zinc/24/99/56/428249956.db2.gz LHPKQCBWIGFSDG-MRXNPFEDSA-N 2 0 323.525 2.830 20 0 DFADRP CC(C)(C)[NH+]1CCC([NH2+]C[C@H](CO)c2ccc(F)cc2)CC1 ZINC000414285355 428250437 /nfs/dbraw/zinc/25/04/37/428250437.db2.gz HWPXPKDUSCQGTN-OAHLLOKOSA-N 2 0 308.441 2.754 20 0 DFADRP Cn1ccnc1[C@@H]1CCN(Cc2ccc(Br)o2)C1 ZINC000377890915 428255226 /nfs/dbraw/zinc/25/52/26/428255226.db2.gz ZBENZIFUYFPGIQ-SNVBAGLBSA-N 2 0 310.195 2.765 20 0 DFADRP COc1cccc(C[N@@H+]2CC[C@H](C3CC[NH+](C)CC3)C2)c1F ZINC000377886281 428256020 /nfs/dbraw/zinc/25/60/20/428256020.db2.gz ZZCDKSMFDPVHPZ-HNNXBMFYSA-N 2 0 306.425 2.998 20 0 DFADRP Cc1ccc([C@H](C)[NH2+][C@H]2CCN(C3CC[NH+](C)CC3)C2)s1 ZINC000370625426 428258156 /nfs/dbraw/zinc/25/81/56/428258156.db2.gz XSNHHIRFSJMKDK-GJZGRUSLSA-N 2 0 307.507 2.876 20 0 DFADRP Cc1nn(-c2ccc(Cl)cc2)cc1CN1CCC[NH2+]CC1 ZINC000346657056 428258683 /nfs/dbraw/zinc/25/86/83/428258683.db2.gz SXIXOGZPWNBVPZ-UHFFFAOYSA-N 2 0 304.825 2.629 20 0 DFADRP C[C@@H]([NH2+][C@@H]1CCN(C2CC[NH+](C)CC2)C1)c1cccc(F)c1 ZINC000370637647 428258952 /nfs/dbraw/zinc/25/89/52/428258952.db2.gz VIPCIXGUOKNXEK-RHSMWYFYSA-N 2 0 305.441 2.645 20 0 DFADRP Cc1ccc([C@H](C)[NH2+][C@H]2CCN(C3CC[NH+](C)CC3)C2)cc1 ZINC000370637200 428259248 /nfs/dbraw/zinc/25/92/48/428259248.db2.gz UDTOJMNIGLIIJD-WMZOPIPTSA-N 2 0 301.478 2.814 20 0 DFADRP CSc1ccc(C[NH2+]CC2(O)CC[NH+](C(C)C)CC2)s1 ZINC000352812602 428259280 /nfs/dbraw/zinc/25/92/80/428259280.db2.gz ZWWRMNFCIZIBBO-UHFFFAOYSA-N 2 0 314.520 2.795 20 0 DFADRP Cc1ccccc1[C@H](C)[NH2+][C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000370638791 428259715 /nfs/dbraw/zinc/25/97/15/428259715.db2.gz ZHDXKWMPDVGZJV-IRXDYDNUSA-N 2 0 301.478 2.814 20 0 DFADRP CC[C@@H](C(=O)N1CCc2c1cccc2C[NH+]1CCCC1)[NH+](C)C ZINC000370644762 428262405 /nfs/dbraw/zinc/26/24/05/428262405.db2.gz GMXLGQNLXFUGKG-KRWDZBQOSA-N 2 0 315.461 2.512 20 0 DFADRP CN(CC(=O)Nc1ccccc1Cl)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000352912473 428309458 /nfs/dbraw/zinc/30/94/58/428309458.db2.gz DKPGRCWPYSTFRF-PBWFPOADSA-N 2 0 321.852 2.836 20 0 DFADRP C[C@H]1CCC[N@@H+]1C1CCN(C[C@@H](O)c2ccc(F)cc2)CC1 ZINC000370883200 428311901 /nfs/dbraw/zinc/31/19/01/428311901.db2.gz GNIDKAKBKCJHPZ-KBXCAEBGSA-N 2 0 306.425 2.808 20 0 DFADRP [NH3+]CCN(c1ccc2ccccc2n1)[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000414485313 428314074 /nfs/dbraw/zinc/31/40/74/428314074.db2.gz HWXZEAKLLWVYOU-SJORKVTESA-N 2 0 310.445 2.627 20 0 DFADRP CC(C)[N@@H+](C)C[C@H](C)NC(=O)c1cccc(C[NH+]2CCCC2)c1 ZINC000356806583 428315817 /nfs/dbraw/zinc/31/58/17/428315817.db2.gz NFFHXNDXDTYBOH-INIZCTEOSA-N 2 0 317.477 2.741 20 0 DFADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CCCCS2)[C@H](C)C1 ZINC000346785693 428316784 /nfs/dbraw/zinc/31/67/84/428316784.db2.gz CXNIQYROECFKAW-IKGGRYGDSA-N 2 0 314.539 2.999 20 0 DFADRP C[C@H]([NH2+][C@H]1CCCN(C)[C@H]1C)c1ccc(OCC[NH+](C)C)cc1 ZINC000346804830 428324953 /nfs/dbraw/zinc/32/49/53/428324953.db2.gz YFFWIWOAPVDYML-BXWFABGCSA-N 2 0 319.493 2.760 20 0 DFADRP CO[C@](C)([C@@H](C)[NH2+]Cc1cn(-c2cc[nH+]cc2)nc1C)C1CC1 ZINC000414504394 428325130 /nfs/dbraw/zinc/32/51/30/428325130.db2.gz SLNJMWABFAJVRZ-RDTXWAMCSA-N 2 0 314.433 2.869 20 0 DFADRP CCOC[C@H](C)[NH2+][C@@H]1CCN(Cc2cnc(C)s2)C[C@H]1C ZINC000378183359 428328073 /nfs/dbraw/zinc/32/80/73/428328073.db2.gz IXQSVAUCBSEPGY-DVOMOZLQSA-N 2 0 311.495 2.677 20 0 DFADRP CC[N@H+](C)[C@H](C(=O)N[C@@H](C)C[NH+](C)C(C)C)c1ccccc1 ZINC000356833573 428329852 /nfs/dbraw/zinc/32/98/52/428329852.db2.gz YGQBJNDKXCDXJA-RDJZCZTQSA-N 2 0 305.466 2.524 20 0 DFADRP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](Cc3c(F)cccc3N3CCCC3)C[C@@H]21 ZINC000346824082 428331409 /nfs/dbraw/zinc/33/14/09/428331409.db2.gz KXGYJBHHAUJSPJ-RVKKMQEKSA-N 2 0 317.452 2.985 20 0 DFADRP Cn1cc(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)c(-c2cccs2)n1 ZINC000346824056 428331978 /nfs/dbraw/zinc/33/19/78/428331978.db2.gz KWIOQPTWQGRQHE-AEGPPILISA-N 2 0 316.474 2.708 20 0 DFADRP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](Cc3c(F)cccc3N3CCCC3)C[C@H]21 ZINC000346824077 428332130 /nfs/dbraw/zinc/33/21/30/428332130.db2.gz KXGYJBHHAUJSPJ-IIDMSEBBSA-N 2 0 317.452 2.985 20 0 DFADRP [NH3+][C@@H]1CC[C@H]2C[N@H+](Cc3c(F)cccc3N3CCCC3)C[C@@H]12 ZINC000346826739 428335267 /nfs/dbraw/zinc/33/52/67/428335267.db2.gz MMPUXPOGZYPBQJ-JJRVBVJISA-N 2 0 303.425 2.595 20 0 DFADRP Cc1ncc(C[NH2+]C2CCN(CCC(F)(F)F)CC2)s1 ZINC000356852944 428336304 /nfs/dbraw/zinc/33/63/04/428336304.db2.gz RUJQRBHQSDNUDW-UHFFFAOYSA-N 2 0 307.385 2.958 20 0 DFADRP CCCOc1cc(C[N@@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)ccc1OC ZINC000346831310 428337105 /nfs/dbraw/zinc/33/71/05/428337105.db2.gz XRZZXDCILVAOIT-HRCADAONSA-N 2 0 304.434 2.653 20 0 DFADRP c1ccc(C[N@H+](CC2CCOCC2)C[C@@H]2CCC[NH2+]C2)cc1 ZINC000346838897 428340091 /nfs/dbraw/zinc/34/00/91/428340091.db2.gz RXASOEPLMSJNGN-LJQANCHMSA-N 2 0 302.462 2.915 20 0 DFADRP [NH3+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3OCc3ccccn3)C[C@@H]12 ZINC000346850598 428345466 /nfs/dbraw/zinc/34/54/66/428345466.db2.gz UTBNJAIPKQBPPF-ATZDWAIDSA-N 2 0 323.440 2.830 20 0 DFADRP [NH3+][C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3OCc3ccccn3)C[C@@H]12 ZINC000346850603 428345625 /nfs/dbraw/zinc/34/56/25/428345625.db2.gz UTBNJAIPKQBPPF-KFKAGJAMSA-N 2 0 323.440 2.830 20 0 DFADRP CCOc1ccc(C[N@@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)cc1OCC ZINC000346851087 428346232 /nfs/dbraw/zinc/34/62/32/428346232.db2.gz QEGJQCABTNCIPE-ARFHVFGLSA-N 2 0 304.434 2.653 20 0 DFADRP CCc1cccnc1[C@@H](C)[NH2+]CCCC[N@@H+]1CCC[C@H]1CO ZINC000356887505 428350636 /nfs/dbraw/zinc/35/06/36/428350636.db2.gz YOWYGPGAWFLSJL-WBVHZDCISA-N 2 0 305.466 2.532 20 0 DFADRP CC(C)C[C@@H]([NH3+])CN(CCc1ccccn1)Cc1cccnc1 ZINC000414740563 428391248 /nfs/dbraw/zinc/39/12/48/428391248.db2.gz DAIBHOBSCPYFEH-GOSISDBHSA-N 2 0 312.461 2.895 20 0 DFADRP C[C@@H]1CCC[C@H]([NH+]2CCC([NH2+][C@@H]3CCc4nccn4C3)CC2)C1 ZINC000371482578 428392317 /nfs/dbraw/zinc/39/23/17/428392317.db2.gz YZVTUKNCEDUYRH-NXHRZFHOSA-N 2 0 316.493 2.831 20 0 DFADRP CC[C@@H]1CN(c2ccccc2)CC[N@@H+]1C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000414745692 428393376 /nfs/dbraw/zinc/39/33/76/428393376.db2.gz RCXDJOFSXRPYBJ-KZNAEPCWSA-N 2 0 301.478 2.975 20 0 DFADRP C[C@@H]1C[C@@H](CN2CC[NH2+]C[C@H]2c2ccccc2Cl)CC[NH2+]1 ZINC000414746367 428393590 /nfs/dbraw/zinc/39/35/90/428393590.db2.gz ZDSVMGOJXDWDQZ-KEYYUXOJSA-N 2 0 307.869 2.674 20 0 DFADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1NC[C@@H]1CC[NH+](C)[C@H]1c1ccccc1 ZINC000371517491 428394204 /nfs/dbraw/zinc/39/42/04/428394204.db2.gz FDRGTELHYOWOPG-CJGGRQNCSA-N 2 0 315.505 2.998 20 0 DFADRP CC[NH+](CC)CCN(CCC(F)(F)F)C[C@@H]1CCC[NH2+]C1 ZINC000346981801 428394218 /nfs/dbraw/zinc/39/42/18/428394218.db2.gz PMYZSPHMXQCEKQ-CQSZACIVSA-N 2 0 309.420 2.582 20 0 DFADRP COCCC[N@H+](CCc1ccc(OC)cc1)C[C@@H]1CCC[NH2+]C1 ZINC000346989563 428396709 /nfs/dbraw/zinc/39/67/09/428396709.db2.gz RVJICUACJBDCRL-GOSISDBHSA-N 2 0 320.477 2.576 20 0 DFADRP C[C@H]1CCc2nc(C[N@H+]3CC[C@H]4C[NH2+]C[C@H]4CC3)sc2C1 ZINC000414763385 428398603 /nfs/dbraw/zinc/39/86/03/428398603.db2.gz BTMGOCYELCFFGU-MELADBBJSA-N 2 0 305.491 2.699 20 0 DFADRP CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C[C@H]1CCC[NH2+]C1 ZINC000346992409 428399195 /nfs/dbraw/zinc/39/91/95/428399195.db2.gz UCFGPKFFKYYJGJ-PMACEKPBSA-N 2 0 315.505 2.830 20 0 DFADRP Fc1ccccc1-c1n[nH]cc1C[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000414772725 428399599 /nfs/dbraw/zinc/39/95/99/428399599.db2.gz VJBRBNRYZNBLEQ-OKILXGFUSA-N 2 0 314.408 2.647 20 0 DFADRP [NH3+]C[C@H]1C[N@H+](Cc2cnc(C3CCC3)s2)CC12CCOCC2 ZINC000414774119 428402272 /nfs/dbraw/zinc/40/22/72/428402272.db2.gz FHXYUQDHCFFEDD-AWEZNQCLSA-N 2 0 321.490 2.598 20 0 DFADRP Cc1nn(-c2cccc(F)c2)cc1C[NH2+][C@H]1CCC[C@@H]1C[NH3+] ZINC000414791981 428414363 /nfs/dbraw/zinc/41/43/63/428414363.db2.gz BSNARGDLEDXAGH-DYVFJYSZSA-N 2 0 302.397 2.537 20 0 DFADRP O[C@@H]1C[NH2+]C[C@H]1C[NH2+]Cc1ccc(-c2ccc(Cl)cc2)s1 ZINC000414780585 428404291 /nfs/dbraw/zinc/40/42/91/428404291.db2.gz GXCKVGATCJMBPB-IUODEOHRSA-N 2 0 322.861 2.738 20 0 DFADRP Cc1ccc(-c2n[nH]cc2C[N@@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)o1 ZINC000414776713 428405302 /nfs/dbraw/zinc/40/53/02/428405302.db2.gz HNFYDPFMRQBGSS-HUUCEWRRSA-N 2 0 314.433 2.800 20 0 DFADRP c1cc(C[N@@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)n(-c2ccccc2)n1 ZINC000414783145 428406720 /nfs/dbraw/zinc/40/67/20/428406720.db2.gz PKCWOJIVEWNVJM-SJORKVTESA-N 2 0 310.445 2.694 20 0 DFADRP CCSc1cccc(C[N@@H+]2C[C@H](C[NH3+])C3(C2)CCOCC3)c1 ZINC000414782020 428407942 /nfs/dbraw/zinc/40/79/42/428407942.db2.gz NXACQYVFQAHLFC-INIZCTEOSA-N 2 0 320.502 2.986 20 0 DFADRP [NH3+]C[C@@H]1CCC[C@H]1[NH2+]Cc1ccc(OCc2ccncc2)cc1 ZINC000414788670 428408849 /nfs/dbraw/zinc/40/88/49/428408849.db2.gz DSOUVMDYBUXRHZ-PKOBYXMFSA-N 2 0 311.429 2.878 20 0 DFADRP Cn1ccnc1CC1CCN(Cc2ccc(Cl)cn2)CC1 ZINC000378484530 428408990 /nfs/dbraw/zinc/40/89/90/428408990.db2.gz VFYWMPVSMSOELT-UHFFFAOYSA-N 2 0 304.825 2.923 20 0 DFADRP [NH3+]C[C@H]1CCCC[C@H]1[NH2+]C1CCN(CCC(F)(F)F)CC1 ZINC000414794160 428412014 /nfs/dbraw/zinc/41/20/14/428412014.db2.gz FHGGVECMNXOYOY-TZMCWYRMSA-N 2 0 307.404 2.510 20 0 DFADRP Cc1nn(-c2ccc(F)cc2)cc1C[NH2+][C@H]1CCC[C@H]1C[NH3+] ZINC000414791558 428412615 /nfs/dbraw/zinc/41/26/15/428412615.db2.gz HWVIQXNVRBCQRX-GUYCJALGSA-N 2 0 302.397 2.537 20 0 DFADRP CCC(C)(C)[NH2+][C@@H](C)C(=O)NCC(C)(C)[N@@H+]1CCC[C@@H](C)C1 ZINC000347031508 428412683 /nfs/dbraw/zinc/41/26/83/428412683.db2.gz CCYXPOSHNMYLGL-CABCVRRESA-N 2 0 311.514 2.780 20 0 DFADRP CC[C@@H](c1nc(C2([NH3+])CCC2)no1)N(C)Cc1ccccc1 ZINC000414625047 428357331 /nfs/dbraw/zinc/35/73/31/428357331.db2.gz HYUYBJXQRYDOHS-AWEZNQCLSA-N 2 0 300.406 2.991 20 0 DFADRP C[C@@H]1C[C@H](C[NH+]2CCN(Cc3ccccc3Cl)CC2)CC[NH2+]1 ZINC000414672330 428369251 /nfs/dbraw/zinc/36/92/51/428369251.db2.gz HFJDCJUUMUMWET-HZPDHXFCSA-N 2 0 321.896 2.846 20 0 DFADRP CCOc1ccccc1N1CC[NH+](C[C@@H]2CC[NH2+][C@H](C)C2)CC1 ZINC000414681814 428372740 /nfs/dbraw/zinc/37/27/40/428372740.db2.gz WRSKUIHVSQLGMC-IAGOWNOFSA-N 2 0 317.477 2.595 20 0 DFADRP CC(C)C[C@@H]([NH3+])CN1CCC(C(=O)Nc2ccccc2)CC1 ZINC000414681435 428373433 /nfs/dbraw/zinc/37/34/33/428373433.db2.gz PEYWWLXJYFIDFI-MRXNPFEDSA-N 2 0 303.450 2.711 20 0 DFADRP O=C(NC1CCCCC1)[C@H]1CCC[N@H+](CCC[NH+]2CCCC2)C1 ZINC000371179277 428374671 /nfs/dbraw/zinc/37/46/71/428374671.db2.gz XBRMUMVQVKKTJD-KRWDZBQOSA-N 2 0 321.509 2.633 20 0 DFADRP CCc1ccccc1NC(=O)C[C@H](C)[NH2+][C@@H]1CCC[C@H]1C[NH3+] ZINC000414794148 428413529 /nfs/dbraw/zinc/41/35/29/428413529.db2.gz FHDSCWPHMDAQMJ-JLJPHGGASA-N 2 0 303.450 2.683 20 0 DFADRP [NH3+]CC(=O)N1CCC[C@H](C[N@@H+]2CCC[C@H]2CC2CCCCC2)C1 ZINC000414687772 428375219 /nfs/dbraw/zinc/37/52/19/428375219.db2.gz IBGRHJAZYPZDFO-MSOLQXFVSA-N 2 0 321.509 2.619 20 0 DFADRP CCCCC[N@H+](C[C@@H]1CCCN(C(=O)C[NH3+])C1)[C@@H](C)CCC ZINC000414700826 428378902 /nfs/dbraw/zinc/37/89/02/428378902.db2.gz ZVPXLEXMQLAASE-IRXDYDNUSA-N 2 0 311.514 2.865 20 0 DFADRP CCNC(=O)C(C)(C)C[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000346940753 428379226 /nfs/dbraw/zinc/37/92/26/428379226.db2.gz OFOGULBWWWKESW-UHFFFAOYSA-N 2 0 309.498 2.535 20 0 DFADRP CC[C@@H]1C[N@@H+]2CCCC[C@H]2CN1C(=O)C[C@@H]([NH3+])c1ccccc1 ZINC000371280289 428380621 /nfs/dbraw/zinc/38/06/21/428380621.db2.gz OQRMRMYLZWPHGL-FGTMMUONSA-N 2 0 315.461 2.552 20 0 DFADRP C[C@@H]1C[C@@H](C[N@@H+]2CCO[C@@H](CCc3ccccc3)C2)CC[NH2+]1 ZINC000414702399 428380688 /nfs/dbraw/zinc/38/06/88/428380688.db2.gz BJIVGDKPAZXEDY-NEWSRXKRSA-N 2 0 302.462 2.708 20 0 DFADRP CC1CC[NH+](C[C@@H]2CCC[N@H+](C[C@H]3CC[NH2+][C@H](C)C3)C2)CC1 ZINC000414700884 428381182 /nfs/dbraw/zinc/38/11/82/428381182.db2.gz ZWRSXPRXBWMCGB-QYZOEREBSA-N 3 0 307.526 2.818 20 0 DFADRP CC[NH+](CC)CCN(CCC(F)(F)F)C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000414710410 428383945 /nfs/dbraw/zinc/38/39/45/428383945.db2.gz QYYMOIQELXZFGE-HUUCEWRRSA-N 2 0 323.447 2.971 20 0 DFADRP CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)CC2CC[NH+](C)CC2)C1 ZINC000346957809 428384683 /nfs/dbraw/zinc/38/46/83/428384683.db2.gz DQTLDROAAPQHHG-MRXNPFEDSA-N 2 0 323.525 2.735 20 0 DFADRP Cc1cc([C@@H]2C[N@H+](C[C@@H]3CC[NH2+][C@H](C)C3)CCO2)ccc1F ZINC000414718548 428386181 /nfs/dbraw/zinc/38/61/81/428386181.db2.gz ZHNZEYMXQFILQK-RKVPGOIHSA-N 2 0 306.425 2.896 20 0 DFADRP Cc1ccc2ncc(CN3C[C@@H]4C[N@@H+]5CCCC[C@@H]5[C@H]4C3)n2c1 ZINC000360777129 428433882 /nfs/dbraw/zinc/43/38/82/428433882.db2.gz KBMCQDXXEXFVGA-BPQIPLTHSA-N 2 0 310.445 2.559 20 0 DFADRP Cc1ccccc1NC(=O)C[C@H](C)[NH2+][C@H](C)[C@H]1CCC[NH2+]C1 ZINC000414858647 428435277 /nfs/dbraw/zinc/43/52/77/428435277.db2.gz SEXRJYKQYJTUPG-XHSDSOJGSA-N 2 0 303.450 2.690 20 0 DFADRP COc1cc(CNCC2([NH3+])CCCCCC2)cc(OC)c1OC ZINC000414864537 428437570 /nfs/dbraw/zinc/43/75/70/428437570.db2.gz ZKAVFIQCCQPPFQ-UHFFFAOYSA-N 2 0 322.449 2.854 20 0 DFADRP CCc1ccccc1NC(=O)C[C@H](C)[NH2+][C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000414862417 428437941 /nfs/dbraw/zinc/43/79/41/428437941.db2.gz XOUPBYYPYSWFAA-ZMSDIMECSA-N 2 0 317.477 2.944 20 0 DFADRP c1ccc([C@@H]2CCCC[C@H]([NH2+]CCN3CC[NH2+]CC3)C2)cc1 ZINC000414865386 428438149 /nfs/dbraw/zinc/43/81/49/428438149.db2.gz LCXNKPVHMCOPGN-MOPGFXCFSA-N 2 0 301.478 2.598 20 0 DFADRP C[C@@H](C[NH3+])C[NH2+]Cc1c[nH]nc1-c1ccc(C(F)(F)F)cc1 ZINC000414869651 428438798 /nfs/dbraw/zinc/43/87/98/428438798.db2.gz BBMNZLPKNDAKNK-JTQLQIEISA-N 2 0 312.339 2.780 20 0 DFADRP C[C@H](C[NH3+])C[NH2+]Cc1c[nH]nc1-c1ccc(C(F)(F)F)cc1 ZINC000414869652 428438884 /nfs/dbraw/zinc/43/88/84/428438884.db2.gz BBMNZLPKNDAKNK-SNVBAGLBSA-N 2 0 312.339 2.780 20 0 DFADRP C[C@@H](C[NH3+])C[NH2+]Cc1cc(Br)ccc1OC(F)F ZINC000414869620 428439187 /nfs/dbraw/zinc/43/91/87/428439187.db2.gz AYORHDHCLZPKTO-QMMMGPOBSA-N 2 0 323.181 2.735 20 0 DFADRP Cc1nn(Cc2ccccc2Cl)c(C)c1C[NH2+]C[C@@H](C)C[NH3+] ZINC000414876430 428440729 /nfs/dbraw/zinc/44/07/29/428440729.db2.gz LJDTUSTUKMIYGU-LBPRGKRZSA-N 2 0 320.868 2.886 20 0 DFADRP C[C@H](C[NH3+])C[NH2+][C@H](C)CC(=O)Nc1ccccc1C(F)(F)F ZINC000414885869 428443048 /nfs/dbraw/zinc/44/30/48/428443048.db2.gz XPOOEIXDCPWUEN-GHMZBOCLSA-N 2 0 317.355 2.607 20 0 DFADRP COc1ccc(C[NH+]2CCC([C@H](C)[NH3+])CC2)c(OC(F)F)c1 ZINC000347094590 428443079 /nfs/dbraw/zinc/44/30/79/428443079.db2.gz HXHDGFNROBXOSN-NSHDSACASA-N 2 0 314.376 2.856 20 0 DFADRP C[C@H](CC(=O)N(C)Cc1cccc(Cl)c1)[NH2+]CC1([NH3+])CCC1 ZINC000414884708 428444030 /nfs/dbraw/zinc/44/40/30/428444030.db2.gz WBMBYLHQICVECU-CYBMUJFWSA-N 2 0 323.868 2.548 20 0 DFADRP CCC[N@H+](C)CC(=O)NC[C@H]1CCC[NH+](C)[C@H]1c1cccs1 ZINC000357228511 428446253 /nfs/dbraw/zinc/44/62/53/428446253.db2.gz XZDHZEWKLVEKSV-RHSMWYFYSA-N 2 0 323.506 2.589 20 0 DFADRP CCCOc1ccc(Br)cc1C[NH2+]C[C@H](C)C[NH3+] ZINC000414888440 428446804 /nfs/dbraw/zinc/44/68/04/428446804.db2.gz RSNNBVQAGYXDOZ-LLVKDONJSA-N 2 0 315.255 2.922 20 0 DFADRP CC[NH+](CC)[C@H](CNC(=O)C[C@@H]1CCC[NH2+]CC1)CC(C)C ZINC000372419410 428447330 /nfs/dbraw/zinc/44/73/30/428447330.db2.gz CFAFXCFXDNMMGO-SJORKVTESA-N 2 0 311.514 2.639 20 0 DFADRP Cc1ccc(C[NH2+]C[C@]2(C)CCC[NH2+]C2)c(-c2cnn(C)c2)c1 ZINC000414901334 428449030 /nfs/dbraw/zinc/44/90/30/428449030.db2.gz FVVFGXRILUHXBN-LJQANCHMSA-N 2 0 312.461 2.875 20 0 DFADRP C[C@H]1C[C@H](NCC[C@H]2CCC[NH2+]2)CC[N@@H+]1Cc1ccccc1 ZINC000414901351 428449671 /nfs/dbraw/zinc/44/96/71/428449671.db2.gz GDFARDSIEQYQPM-QXAKKESOSA-N 2 0 301.478 2.771 20 0 DFADRP C[C@H](CC(=O)Nc1ccc(F)cc1)[NH2+]CC1(C)CC[NH2+]CC1 ZINC000414903420 428451263 /nfs/dbraw/zinc/45/12/63/428451263.db2.gz LYKORSGSNPZZNF-CYBMUJFWSA-N 2 0 307.413 2.522 20 0 DFADRP CC[C@@H](Cn1cncn1)[NH2+]C1CCC([NH+]2CCC(C)CC2)CC1 ZINC000353255744 428452254 /nfs/dbraw/zinc/45/22/54/428452254.db2.gz OCHGZGMCZXVOHN-AOCRQIFASA-N 2 0 319.497 2.689 20 0 DFADRP Cc1ccccc1NC(=O)C[C@@H](C)[NH2+]CC1(C)CC[NH2+]CC1 ZINC000414904621 428452565 /nfs/dbraw/zinc/45/25/65/428452565.db2.gz NPJVQKZUMWZXBE-OAHLLOKOSA-N 2 0 303.450 2.691 20 0 DFADRP CC1(C[NH2+]Cc2c(C3CC3)nc3sccn23)CC[NH2+]CC1 ZINC000414905388 428453053 /nfs/dbraw/zinc/45/30/53/428453053.db2.gz OPXVDBJKDPAFLS-UHFFFAOYSA-N 2 0 304.463 2.753 20 0 DFADRP Cc1ccccc1NC(=O)C[C@@H](C)[NH2+]C[C@]1(C)CCC[NH2+]C1 ZINC000414904034 428453319 /nfs/dbraw/zinc/45/33/19/428453319.db2.gz JLQLXZHINLSDED-CRAIPNDOSA-N 2 0 303.450 2.691 20 0 DFADRP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+]1CCC[C@H]1[C@@H]1CCCO1 ZINC000342845834 428470514 /nfs/dbraw/zinc/47/05/14/428470514.db2.gz XUQMOTSOFTZQJF-ROUUACIJSA-N 2 0 312.417 2.719 20 0 DFADRP CC[C@H](Cn1cncn1)[NH2+][C@H]1CCCC[C@H]1C[NH+](CC)CC ZINC000353258820 428455357 /nfs/dbraw/zinc/45/53/57/428455357.db2.gz RSMGRLUSCROKFJ-BBWFWOEESA-N 2 0 307.486 2.547 20 0 DFADRP O=C(CC[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1)Nc1cccc(Cl)c1 ZINC000390179237 428470614 /nfs/dbraw/zinc/47/06/14/428470614.db2.gz REIQOHVXPCBHJI-OKILXGFUSA-N 2 0 321.852 2.600 20 0 DFADRP FC(F)(F)COc1ccc(C[NH2+][C@@H]2CCC[NH2+]CC2)cc1 ZINC000414918911 428456548 /nfs/dbraw/zinc/45/65/48/428456548.db2.gz SZBBIVODXFFGPE-CYBMUJFWSA-N 2 0 302.340 2.859 20 0 DFADRP Cc1ccc([C@H]([NH2+]C[C@@H]2CN(C)CCN2C)C2CCCC2)o1 ZINC000342791100 428458608 /nfs/dbraw/zinc/45/86/08/428458608.db2.gz DZOIUSCICDHLKL-SJLPKXTDSA-N 2 0 305.466 2.655 20 0 DFADRP CC1(C)CCC[NH2+][C@@H]1CN[C@H]1CC[NH2+][C@@H](c2ccccc2)C1 ZINC000414923021 428460019 /nfs/dbraw/zinc/46/00/19/428460019.db2.gz DOFDIXKJNZKEQN-RCCFBDPRSA-N 2 0 301.478 2.848 20 0 DFADRP COc1cc(C[NH2+][C@H]2CCC[C@H]([NH3+])C2)ccc1OC(F)F ZINC000414936260 428463370 /nfs/dbraw/zinc/46/33/70/428463370.db2.gz ZDXQGRBDNLEDND-RYUDHWBXSA-N 2 0 300.349 2.656 20 0 DFADRP CCc1ccccc1NC(=O)C[C@H](C)[NH2+][C@@H]1CC[NH2+]C[C@@H]1C ZINC000414936882 428464113 /nfs/dbraw/zinc/46/41/13/428464113.db2.gz HCCMGRFALIIINR-OFQRWUPVSA-N 2 0 303.450 2.554 20 0 DFADRP CC1([NH2+]Cc2ccc(OCC(F)(F)F)cc2)CC[NH2+]CC1 ZINC000414947180 428465798 /nfs/dbraw/zinc/46/57/98/428465798.db2.gz VLFHOYQTGWDWTB-UHFFFAOYSA-N 2 0 302.340 2.859 20 0 DFADRP C[C@@H]1C[C@H](NCC(C)(C)C[N@H+](C)Cc2ccccc2)CC[NH2+]1 ZINC000414942487 428466085 /nfs/dbraw/zinc/46/60/85/428466085.db2.gz DNYNJNSNJZQAHO-SJLPKXTDSA-N 2 0 303.494 2.875 20 0 DFADRP C[C@@H]1C[C@H]([NH2+]Cc2c[nH]nc2-c2cccc(Cl)c2)CC[NH2+]1 ZINC000414942430 428466763 /nfs/dbraw/zinc/46/67/63/428466763.db2.gz DKHTUDKWMSOPJF-IAQYHMDHSA-N 2 0 304.825 2.960 20 0 DFADRP C[C@H]1C[C@@H]([NH2+]Cc2c[nH]nc2-c2cccc(Cl)c2)CC[NH2+]1 ZINC000414942431 428466819 /nfs/dbraw/zinc/46/68/19/428466819.db2.gz DKHTUDKWMSOPJF-NHYWBVRUSA-N 2 0 304.825 2.960 20 0 DFADRP CCc1ccccc1NC(=O)C[C@H](C)[NH2+][C@H]1CC[NH2+][C@H](C)C1 ZINC000414943676 428466888 /nfs/dbraw/zinc/46/68/88/428466888.db2.gz FRSSGRMOPALYAK-YCPHGPKFSA-N 2 0 303.450 2.696 20 0 DFADRP Cc1ccc(NC(=O)C[C@H](C)[NH2+][C@@H]2CC[NH2+]C[C@@H]2C)c(C)c1 ZINC000414948156 428467832 /nfs/dbraw/zinc/46/78/32/428467832.db2.gz XUCWMYLCZWUFPS-YQQAZPJKSA-N 2 0 303.450 2.608 20 0 DFADRP Cc1ccc(NC(=O)C[C@H](C)[NH2+][C@H]2CC[NH2+]C[C@H]2C)c(C)c1 ZINC000414948155 428468131 /nfs/dbraw/zinc/46/81/31/428468131.db2.gz XUCWMYLCZWUFPS-VYDXJSESSA-N 2 0 303.450 2.608 20 0 DFADRP C[C@@H]1C[NH2+]CC[C@H]1[NH2+]Cc1cccc(OCc2ccccn2)c1 ZINC000414951593 428468361 /nfs/dbraw/zinc/46/83/61/428468361.db2.gz HOXBRTIOGUGRMB-DNVCBOLYSA-N 2 0 311.429 2.748 20 0 DFADRP [NH3+]C[C@H]1CCC[N@H+](Cc2cccc(OCC(F)(F)F)c2)C1 ZINC000347032886 428415673 /nfs/dbraw/zinc/41/56/73/428415673.db2.gz FBAXTBFLOXYCBP-CYBMUJFWSA-N 2 0 302.340 2.798 20 0 DFADRP C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)CC2CC[NH+](C)CC2)C1 ZINC000347035414 428416883 /nfs/dbraw/zinc/41/68/83/428416883.db2.gz UQLMSCUSZBQGCE-IYBDPMFKSA-N 2 0 323.525 2.591 20 0 DFADRP CC(C)Oc1ccc(C[N@@H+]2C[C@@H](C[NH3+])C3(C2)CCOCC3)cc1 ZINC000414798788 428417217 /nfs/dbraw/zinc/41/72/17/428417217.db2.gz ZHBGGRRTIJZUBN-QGZVFWFLSA-N 2 0 318.461 2.661 20 0 DFADRP COc1cc(C[N@H+](CCC[NH3+])CC2CCCC2)cc(OC)c1O ZINC000414798714 428417430 /nfs/dbraw/zinc/41/74/30/428417430.db2.gz XQVLGZSRJZITBD-UHFFFAOYSA-N 2 0 322.449 2.750 20 0 DFADRP C[C@@H](Cc1ccc(Br)c(F)c1)[NH2+]CC(C)(C)[NH3+] ZINC000414810939 428417764 /nfs/dbraw/zinc/41/77/64/428417764.db2.gz YLVYSQHKAMXDJV-VIFPVBQESA-N 2 0 303.219 2.846 20 0 DFADRP Cc1csc(N2CCC([NH2+][C@H]3CCCC[C@H]3C[NH3+])CC2)n1 ZINC000414811901 428418598 /nfs/dbraw/zinc/41/85/98/428418598.db2.gz WWRYVRNKVJPXRL-ZFWWWQNUSA-N 2 0 308.495 2.527 20 0 DFADRP Cc1ccccc1NC(=O)C[C@H](C)[NH2+][C@H]1CCCC[C@@H]1C[NH3+] ZINC000414810985 428419474 /nfs/dbraw/zinc/41/94/74/428419474.db2.gz VULNFTWGWBNWPI-UXLLHSPISA-N 2 0 303.450 2.819 20 0 DFADRP Cc1cc(-n2ccnc2)ccc1CN1CC[S@](=O)[C@H](C)[C@@H]1C ZINC000360735212 428419569 /nfs/dbraw/zinc/41/95/69/428419569.db2.gz GPVHFDXIFPWLMO-KIMHZCHSSA-N 2 0 317.458 2.522 20 0 DFADRP CCCOc1c(Cl)cc(C[NH2+]CC[C@@H](C)[NH3+])cc1OC ZINC000414818589 428421758 /nfs/dbraw/zinc/42/17/58/428421758.db2.gz FNALAODWGFLITO-LLVKDONJSA-N 2 0 300.830 2.964 20 0 DFADRP C[C@H](CC(=O)Nc1cccc(Cl)c1)N[C@H]1CCC[NH2+][C@H]1C ZINC000414951944 428469858 /nfs/dbraw/zinc/46/98/58/428469858.db2.gz JUEINKIOWUUXFV-XUJVJEKNSA-N 2 0 309.841 2.787 20 0 DFADRP C[C@H]([NH3+])CC[NH2+]C1CCN(Cc2c(F)cccc2Cl)CC1 ZINC000414825363 428424719 /nfs/dbraw/zinc/42/47/19/428424719.db2.gz SIKUZCWZZFMJSL-LBPRGKRZSA-N 2 0 313.848 2.770 20 0 DFADRP C[C@@H]1C[N@H+](Cc2cccc(OCc3ccccn3)c2)CC[C@H]1[NH3+] ZINC000347056406 428429032 /nfs/dbraw/zinc/42/90/32/428429032.db2.gz VBMXFZUCSJIVKN-DNVCBOLYSA-N 2 0 311.429 2.830 20 0 DFADRP C[NH2+]C[C@@H](C)C[NH2+][C@@H](C)CC(=O)Nc1cc(Cl)ccc1C ZINC000414838080 428429257 /nfs/dbraw/zinc/42/92/57/428429257.db2.gz KTFFURVBZYLWQE-YPMHNXCESA-N 2 0 311.857 2.811 20 0 DFADRP C[C@H]([NH2+]CC1(CO)CCC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000372336086 428429499 /nfs/dbraw/zinc/42/94/99/428429499.db2.gz CXMNZHRPRWOKGO-FUHWJXTLSA-N 2 0 302.462 2.649 20 0 DFADRP CCOc1cc(C[NH2+]CC[C@@H]2CC[NH2+]C2)cc(Cl)c1OC ZINC000414839964 428430026 /nfs/dbraw/zinc/43/00/26/428430026.db2.gz WVBZTRCSKSNBAY-LBPRGKRZSA-N 2 0 312.841 2.837 20 0 DFADRP COc1cccc(NC(=O)C[C@@H](C)[NH2+]CC2([NH3+])CCCCC2)c1 ZINC000414841222 428430386 /nfs/dbraw/zinc/43/03/86/428430386.db2.gz LDZDFLMLHQHYLP-CQSZACIVSA-N 2 0 319.449 2.664 20 0 DFADRP OC[C@@H]1CCCN1C[C@@H]1CCC[N@@H+]1CCCCc1ccccc1 ZINC000372343172 428431722 /nfs/dbraw/zinc/43/17/22/428431722.db2.gz BOOKIEUTDNHMQR-PMACEKPBSA-N 2 0 316.489 2.930 20 0 DFADRP Cc1ccc(NC(=O)C[C@H](C)[NH2+][C@@H](C)[C@H]2CCC[NH2+]C2)c(C)c1 ZINC000414853009 428431817 /nfs/dbraw/zinc/43/18/17/428431817.db2.gz KKQGFXNBNAMRBZ-ULQDDVLXSA-N 2 0 317.477 2.998 20 0 DFADRP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](N[C@@H](C)[C@H]2CCC[NH2+]C2)C1 ZINC000414847704 428433276 /nfs/dbraw/zinc/43/32/76/428433276.db2.gz FXZAFIFUGAEEOB-OGWHTMIXSA-N 2 0 301.478 2.800 20 0 DFADRP CCC[NH+](CCC)CCCC(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000342893361 428481858 /nfs/dbraw/zinc/48/18/58/428481858.db2.gz QWLBHHYRVQHYKQ-SJORKVTESA-N 2 0 309.498 2.632 20 0 DFADRP C[C@H](CCCNC(=O)OC(C)(C)C)[NH2+]CC1=CC[N@H+](C)CC1 ZINC000392185011 428481909 /nfs/dbraw/zinc/48/19/09/428481909.db2.gz CNNXKAYETMKWTR-CQSZACIVSA-N 2 0 311.470 2.531 20 0 DFADRP Fc1ccc([C@@H]2CC[NH2+]C[C@@H]2C[NH2+][C@@H]2CCCOCC2)cc1 ZINC000414993131 428483016 /nfs/dbraw/zinc/48/30/16/428483016.db2.gz CDXNNYDGAKSFKV-NXHRZFHOSA-N 2 0 306.425 2.678 20 0 DFADRP CC(C)n1ncc2cc(C[NH2+]C[C@@H]3CCC[C@@H]([NH3+])C3)cnc21 ZINC000414988295 428483556 /nfs/dbraw/zinc/48/35/56/428483556.db2.gz FMTVPPSKWLBEQJ-CZUORRHYSA-N 2 0 301.438 2.619 20 0 DFADRP [NH3+][C@@H]1CCC[C@@H](C[NH2+]Cc2cnn(Cc3ccc(F)cc3)c2)C1 ZINC000414998522 428485359 /nfs/dbraw/zinc/48/53/59/428485359.db2.gz ICCKGDSMOOUTKT-CRAIPNDOSA-N 2 0 316.424 2.678 20 0 DFADRP C[C@H](c1ccccc1)N1CC[C@@H]([NH2+][C@@H]2C[C@H]2C2CC[NH2+]CC2)C1 ZINC000415000203 428485516 /nfs/dbraw/zinc/48/55/16/428485516.db2.gz AKKYQACYBHLNPY-GEALJGNFSA-N 3 0 313.489 2.800 20 0 DFADRP COC(=O)c1ccc(Cl)c(C[NH2+]C[C@H]2CCC[C@H]([NH3+])C2)c1 ZINC000414999949 428486052 /nfs/dbraw/zinc/48/60/52/428486052.db2.gz JQJIKOBCKZHVHY-FZMZJTMJSA-N 2 0 310.825 2.734 20 0 DFADRP COc1ccc(CC[C@@H](C)[NH2+][C@@H]2C[C@H]2C2CC[NH2+]CC2)cc1 ZINC000415009526 428487811 /nfs/dbraw/zinc/48/78/11/428487811.db2.gz OFORYIUTRBZWAG-MDASCCDHSA-N 2 0 302.462 2.994 20 0 DFADRP COC1CC([NH2+]Cc2ccc(C[NH+]3C[C@H](C)O[C@@H](C)C3)cc2)C1 ZINC000347194587 428488935 /nfs/dbraw/zinc/48/89/35/428488935.db2.gz HQHHFXQTYYFWFY-GKVPXEHWSA-N 2 0 318.461 2.563 20 0 DFADRP COCCOc1cccc(C[NH2+]C[C@H]2CC[C@H](C[NH3+])CC2)c1 ZINC000415017823 428489876 /nfs/dbraw/zinc/48/98/76/428489876.db2.gz ALQDEVQUJVUHNP-WKILWMFISA-N 2 0 306.450 2.567 20 0 DFADRP COc1cc2c(c(CN(C)C3C[C@H]4CC[C@@H](C3)[NH2+]4)c1)O[C@H](C)C2 ZINC000347197993 428489935 /nfs/dbraw/zinc/48/99/35/428489935.db2.gz IKNLVRLTRQZVSV-AJSFGMTHSA-N 2 0 316.445 2.733 20 0 DFADRP C[C@@H](CCCC[NH3+])[NH2+]Cc1ccc(OC[C@@H]2CCCO2)cc1 ZINC000415017235 428490167 /nfs/dbraw/zinc/49/01/67/428490167.db2.gz RQXAIESRTJUULK-YJBOKZPZSA-N 2 0 306.450 2.852 20 0 DFADRP C[C@@H](CCCC[NH3+])[NH2+]Cc1ccc(OC[C@H]2CCCO2)cc1 ZINC000415017233 428491527 /nfs/dbraw/zinc/49/15/27/428491527.db2.gz RQXAIESRTJUULK-MAUKXSAKSA-N 2 0 306.450 2.852 20 0 DFADRP C[C@H](CCc1ccc(Cl)s1)[NH2+]C[C@@H]1C[NH2+]CCCO1 ZINC000415030430 428492774 /nfs/dbraw/zinc/49/27/74/428492774.db2.gz CKFNMTPUIXVOGC-NEPJUHHUSA-N 2 0 302.871 2.691 20 0 DFADRP [NH3+]C[C@H]1CC[C@H](C[NH2+]Cc2nccn2Cc2ccccc2)CC1 ZINC000415028428 428492868 /nfs/dbraw/zinc/49/28/68/428492868.db2.gz YLBMYMTZTQNFJH-QAQDUYKDSA-N 2 0 312.461 2.786 20 0 DFADRP C[C@H](NC[C@H]1CC[N@H+](Cc2ccccc2)C1)[C@H]1CCCC[NH2+]1 ZINC000395213854 428492828 /nfs/dbraw/zinc/49/28/28/428492828.db2.gz WCWHXBCZNOWNRV-QXAKKESOSA-N 2 0 301.478 2.629 20 0 DFADRP CCc1ccc(C[NH+]2CCC([C@@H]3C[C@H]([NH3+])CCO3)CC2)cc1 ZINC000415130470 428531107 /nfs/dbraw/zinc/53/11/07/428531107.db2.gz XBJPTLDPAYPPFC-MOPGFXCFSA-N 2 0 302.462 2.967 20 0 DFADRP C[C@H]1C[N@H+](C)CC[C@@H]1NCC1([NH+](C)Cc2ccccc2)CCC1 ZINC000395368813 428494989 /nfs/dbraw/zinc/49/49/89/428494989.db2.gz OBZAYSHSELGOCX-HKUYNNGSSA-N 2 0 315.505 2.971 20 0 DFADRP c1cnn(-c2cccc(C[N@@H+]3CCCC[C@H]3[C@H]3CC[NH2+]C3)c2)c1 ZINC000415037688 428495643 /nfs/dbraw/zinc/49/56/43/428495643.db2.gz HDBHADHTINBRJS-HKUYNNGSSA-N 2 0 310.445 2.836 20 0 DFADRP COc1ccc(-c2n[nH]cc2C[N@@H+]2CCC[C@H]([C@@H](C)[NH3+])C2)cc1 ZINC000347216029 428496993 /nfs/dbraw/zinc/49/69/93/428496993.db2.gz QZMNMILKIFAWRV-HIFRSBDPSA-N 2 0 314.433 2.645 20 0 DFADRP COc1ccc(C[NH2+][C@H]2CC[C@@H](C[NH3+])C2)cc1Br ZINC000415043410 428497965 /nfs/dbraw/zinc/49/79/65/428497965.db2.gz RWEVLOYEOAVEEK-PWSUYJOCSA-N 2 0 313.239 2.675 20 0 DFADRP CCc1cccc(C[N@H+](C)[C@@H]2CCN(C3CC[NH+](C)CC3)C2)c1 ZINC000372740267 428498903 /nfs/dbraw/zinc/49/89/03/428498903.db2.gz MFMDKIINDAHUKY-HXUWFJFHSA-N 2 0 315.505 2.849 20 0 DFADRP Cc1cccc(C[NH2+]C2CCC([NH+]3CCNCC3)CC2)c1C ZINC000415046552 428499043 /nfs/dbraw/zinc/49/90/43/428499043.db2.gz CSWHNEJCZJIWQP-UHFFFAOYSA-N 2 0 301.478 2.609 20 0 DFADRP CCOc1cc(C[NH2+][C@@H](C)CCC[NH3+])cc(Cl)c1OC ZINC000415050118 428500532 /nfs/dbraw/zinc/50/05/32/428500532.db2.gz BFZBWIVACUASFJ-NSHDSACASA-N 2 0 300.830 2.964 20 0 DFADRP C[C@@H]1C[N@H+](Cc2ccc(-c3cnn(C)c3)s2)C[C@@]1(C)C[NH3+] ZINC000415058034 428503949 /nfs/dbraw/zinc/50/39/49/428503949.db2.gz QZIRMROLWMVZJA-MLGOLLRUSA-N 2 0 304.463 2.565 20 0 DFADRP C[C@H](N[C@@H]1CCC[NH2+][C@H]1C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000396698512 428504015 /nfs/dbraw/zinc/50/40/15/428504015.db2.gz KHZWGJLEEDMONN-RNIPGJKVSA-N 2 0 301.478 2.627 20 0 DFADRP Cc1ccc([C@@H](C)[NH2+][C@H](CC(C)C)C(=O)NCC[NH+](C)C)cc1 ZINC000347234445 428504827 /nfs/dbraw/zinc/50/48/27/428504827.db2.gz RPYBFWNTHAOVGW-SJLPKXTDSA-N 2 0 319.493 2.738 20 0 DFADRP CC(C)[N@@H+]1CCc2nc(CN[C@@H](C[NH3+])C3CCCC3)sc2C1 ZINC000415067069 428508924 /nfs/dbraw/zinc/50/89/24/428508924.db2.gz OWPHVNXRBHEQQW-HNNXBMFYSA-N 2 0 322.522 2.517 20 0 DFADRP C[C@H]1C[C@H](C)C[NH+](CCCNCc2cn(C)nc2C(F)F)C1 ZINC000360956258 428509237 /nfs/dbraw/zinc/50/92/37/428509237.db2.gz UKXPSINGCLMQPY-STQMWFEESA-N 2 0 314.424 2.815 20 0 DFADRP Fc1ccc(CC[NH+]2CCC(N[C@@H]3CCCC[NH2+]C3)CC2)cc1 ZINC000415069888 428509993 /nfs/dbraw/zinc/50/99/93/428509993.db2.gz PKORZHJJUAJMFS-LJQANCHMSA-N 2 0 319.468 2.564 20 0 DFADRP C[C@@H]1C[C@@H]([NH2+]CC2(O)CC[NH+](Cc3ccccc3)CC2)[C@@H]1C ZINC000397493310 428510991 /nfs/dbraw/zinc/51/09/91/428510991.db2.gz NBLYVDNRUPRSQS-JFIYKMOQSA-N 2 0 302.462 2.648 20 0 DFADRP Clc1ccccc1N1CCC[C@H]([NH2+]CC2CC[NH2+]CC2)C1 ZINC000415076500 428512804 /nfs/dbraw/zinc/51/28/04/428512804.db2.gz CQMOVCVAYTVMBI-HNNXBMFYSA-N 2 0 307.869 2.898 20 0 DFADRP c1cc(N2CCCCCC2)ncc1C[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000415082063 428512899 /nfs/dbraw/zinc/51/28/99/428512899.db2.gz LFMPFXUYKTXSRT-QGZVFWFLSA-N 2 0 302.466 2.694 20 0 DFADRP CC[N@H+]1C[C@H](NC2CC[NH+](Cc3ccccc3)CC2)[C@@H](C)C1 ZINC000343075436 428514649 /nfs/dbraw/zinc/51/46/49/428514649.db2.gz AEXWFZAUCCQZJS-LPHOPBHVSA-N 2 0 301.478 2.581 20 0 DFADRP CC(C)([NH3+])C[NH2+][C@H]1CCCN(Cc2ccc(F)cc2Cl)C1 ZINC000415087504 428516419 /nfs/dbraw/zinc/51/64/19/428516419.db2.gz UUIGSJQMOBKMQU-AWEZNQCLSA-N 2 0 313.848 2.770 20 0 DFADRP C[C@@H](C(=O)N1CCC([NH+]2CCCCC2)CC1)[NH+]1[C@H](C)CC[C@H]1C ZINC000343085280 428516838 /nfs/dbraw/zinc/51/68/38/428516838.db2.gz NLLCAPGEWWZCIS-ZACQAIPSSA-N 2 0 321.509 2.725 20 0 DFADRP C[C@H](N[C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1)[C@H]1CCCC[NH2+]1 ZINC000398026305 428518803 /nfs/dbraw/zinc/51/88/03/428518803.db2.gz MBFOMZVZAUHZIA-RNIPGJKVSA-N 2 0 301.478 2.770 20 0 DFADRP C[N@@H+]1CC[C@H]([NH2+]CCOc2ccc(F)cc2F)[C@H]2CCC[C@@H]21 ZINC000353392375 428519273 /nfs/dbraw/zinc/51/92/73/428519273.db2.gz GIXFAAMXRQXSHF-KBMXLJTQSA-N 2 0 310.388 2.806 20 0 DFADRP Cc1ccc(C[C@H](CO)[NH2+][C@@H](C)C[C@@H]2CCCCC[NH2+]2)cc1 ZINC000415094672 428519438 /nfs/dbraw/zinc/51/94/38/428519438.db2.gz FJNVYOQYFFRUDL-YTQUADARSA-N 2 0 304.478 2.799 20 0 DFADRP [NH3+][C@H]1CCCO[C@@H]1C1CC[NH+](Cc2ccc(F)c(F)c2)CC1 ZINC000415129378 428531913 /nfs/dbraw/zinc/53/19/13/428531913.db2.gz PIIDBFYJZZWUDT-DLBZAZTESA-N 2 0 310.388 2.683 20 0 DFADRP FC(F)(F)[C@@H]1CC[N@H+](C[C@H]2CCC[NH2+]C2)CC12CCOCC2 ZINC000415103748 428522301 /nfs/dbraw/zinc/52/23/01/428522301.db2.gz DABIVFMCGKMCII-UONOGXRCSA-N 2 0 320.399 2.667 20 0 DFADRP CC(C)[C@H]1OCC[C@@H]1C[NH2+][C@H]1CC[N@H+](C[C@@H]2CCCO2)C[C@H]1C ZINC000373206571 428523063 /nfs/dbraw/zinc/52/30/63/428523063.db2.gz NZCTULLHXOHXOO-ZSXDVEMLSA-N 2 0 324.509 2.527 20 0 DFADRP Cn1cc(C[NH+]2CCC(C[NH+](C)C)CC2)c(-c2cccs2)n1 ZINC000373224738 428523259 /nfs/dbraw/zinc/52/32/59/428523259.db2.gz YJTOBKJEBFOQMI-UHFFFAOYSA-N 2 0 318.490 2.922 20 0 DFADRP C[N@@H+]1CC[C@H]([NH2+]Cc2ccc(Cn3ccnc3)cc2)[C@@H]2CCC[C@@H]21 ZINC000353402466 428524046 /nfs/dbraw/zinc/52/40/46/428524046.db2.gz JACXNCVHVAXUKE-UFYCRDLUSA-N 2 0 324.472 2.894 20 0 DFADRP [NH3+][C@@H]1CCCO[C@@H]1C1CC[NH+](Cc2cccc(F)c2F)CC1 ZINC000415110102 428524884 /nfs/dbraw/zinc/52/48/84/428524884.db2.gz OXIXDQWLIDPKKS-NVXWUHKLSA-N 2 0 310.388 2.683 20 0 DFADRP Cc1cc(C(F)(F)F)ccc1CN1CCCO[C@@H](C[NH3+])C1 ZINC000415117012 428525605 /nfs/dbraw/zinc/52/56/05/428525605.db2.gz ZAQNJIJEXDZDMX-AWEZNQCLSA-N 2 0 302.340 2.563 20 0 DFADRP CCOc1ccc(C[NH+]2CCC([C@@H]3OCCC[C@H]3[NH3+])CC2)cc1 ZINC000415118698 428527587 /nfs/dbraw/zinc/52/75/87/428527587.db2.gz DVXGFLBJGQIEFV-MOPGFXCFSA-N 2 0 318.461 2.804 20 0 DFADRP Cc1ccc(C[N@@H+]2CC3(CC[NH2+]CC3)[C@@H]3COC[C@@H]32)cc1C ZINC000415125489 428529329 /nfs/dbraw/zinc/52/93/29/428529329.db2.gz FDUIBCBCXDHOSC-MSOLQXFVSA-N 2 0 300.446 2.504 20 0 DFADRP C[N@@H+](Cc1cnc([C@@H]2CCCO2)s1)CC1CC[NH+](C)CC1 ZINC000353422844 428529483 /nfs/dbraw/zinc/52/94/83/428529483.db2.gz OKWLVJRZIYNAHT-HNNXBMFYSA-N 2 0 309.479 2.768 20 0 DFADRP C[C@@H]1C[NH2+]CC[C@H]1[NH2+]Cc1ccc(OCc2ccncc2)cc1 ZINC000414960441 428472805 /nfs/dbraw/zinc/47/28/05/428472805.db2.gz QSRBZYVCLWHJEX-DNVCBOLYSA-N 2 0 311.429 2.748 20 0 DFADRP CCCOc1ccc(C[NH2+][C@@H]2CC[NH2+]C[C@@H]2C)cc1OCC ZINC000414962877 428474148 /nfs/dbraw/zinc/47/41/48/428474148.db2.gz SRGZLNVOXRSEMJ-GOEBONIOSA-N 2 0 306.450 2.962 20 0 DFADRP C[C@H](CC[NH3+])NC(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC000414967966 428474630 /nfs/dbraw/zinc/47/46/30/428474630.db2.gz CDQPKFHWFURQGM-OAHLLOKOSA-N 2 0 318.465 2.574 20 0 DFADRP COC[C@]1(C[NH2+][C@@H]2CCC[C@H]2c2ccc(C)cc2)CCC[NH2+]1 ZINC000414962087 428474648 /nfs/dbraw/zinc/47/46/48/428474648.db2.gz VWWYPNKSVYKGMZ-IPMKNSEASA-N 2 0 302.462 2.989 20 0 DFADRP C[C@H]1C[NH2+]CC[C@@H]1[NH2+]Cc1cn(C)nc1-c1ccccc1Cl ZINC000414965693 428474665 /nfs/dbraw/zinc/47/46/65/428474665.db2.gz VTSXEDHMJKSFCC-LRDDRELGSA-N 2 0 318.852 2.828 20 0 DFADRP COCC1(C[NH2+]Cc2c(C)oc3ccccc32)CC[NH2+]CC1 ZINC000414968856 428476690 /nfs/dbraw/zinc/47/66/90/428476690.db2.gz FSKACJUYSPXREW-UHFFFAOYSA-N 2 0 302.418 2.847 20 0 DFADRP CC[C@H]([NH2+]CCCN1CCC[C@H]1C(=O)N(C)C)c1cccs1 ZINC000360883627 428476904 /nfs/dbraw/zinc/47/69/04/428476904.db2.gz OKHSECJDOOZSKS-GJZGRUSLSA-N 2 0 323.506 2.732 20 0 DFADRP Cc1ncsc1CN(C)C[C@H]1CC[N@H+](CCOC2CCC2)C1 ZINC000347167500 428478270 /nfs/dbraw/zinc/47/82/70/428478270.db2.gz UYDJLYXPRZIENX-OAHLLOKOSA-N 2 0 323.506 2.774 20 0 DFADRP COc1ccc2nc(C[NH2+]CCC[C@@H]3CCC[NH2+]3)sc2c1 ZINC000414968045 428478931 /nfs/dbraw/zinc/47/89/31/428478931.db2.gz RDEPSJACWPLPNY-GFCCVEGCSA-N 2 0 305.447 2.927 20 0 DFADRP Cn1cc(C[NH2+]CCC[C@H]2CCC[NH2+]2)c(-c2cccs2)n1 ZINC000414971495 428478965 /nfs/dbraw/zinc/47/89/65/428478965.db2.gz LLJLGCCLSLESLP-AWEZNQCLSA-N 2 0 304.463 2.770 20 0 DFADRP CC[NH+](CC)Cc1cccc(NC(=O)[C@H]2CC[C@H](C3CC3)[NH2+]2)c1 ZINC000407300408 428581022 /nfs/dbraw/zinc/58/10/22/428581022.db2.gz BTGKNTZZKINBBW-QZTJIDSGSA-N 2 0 315.461 2.998 20 0 DFADRP CC1=CCC[C@H](C)[C@@H]1C[NH2+][C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000373459579 428581135 /nfs/dbraw/zinc/58/11/35/428581135.db2.gz MORRMPVTZXFSCF-YQVWRLOYSA-N 2 0 305.510 2.737 20 0 DFADRP C[N@@H+]1CCCC[C@H]1CCN1CC(C)(C)O[C@]2(CCCOC2)C1 ZINC000361609174 428582384 /nfs/dbraw/zinc/58/23/84/428582384.db2.gz IOMKIECQUSUQSY-FUHWJXTLSA-N 2 0 310.482 2.521 20 0 DFADRP CC[NH+]1CCN([C@H](C)C[NH2+][C@H](c2ccc(F)cn2)C(C)C)CC1 ZINC000353544032 428585884 /nfs/dbraw/zinc/58/58/84/428585884.db2.gz HUJAOJMKZFSJIF-QAPCUYQASA-N 2 0 322.472 2.533 20 0 DFADRP C[C@@H](CC[N@@H+]1CCC[C@@H](n2cc(C[NH3+])nn2)C1)c1ccccc1 ZINC000415130044 428532208 /nfs/dbraw/zinc/53/22/08/428532208.db2.gz PZRRTHVLLRWQQT-MAUKXSAKSA-N 2 0 313.449 2.568 20 0 DFADRP CCCC[C@H]([NH3+])C(=O)NCC1CC[NH+](Cc2ccccc2)CC1 ZINC000353433793 428532749 /nfs/dbraw/zinc/53/27/49/428532749.db2.gz ABTQZFYYYAKANL-SFHVURJKSA-N 2 0 317.477 2.532 20 0 DFADRP CCC[C@H]([NH2+]C(C)C)C(=O)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000353436841 428534129 /nfs/dbraw/zinc/53/41/29/428534129.db2.gz ACEPFOFPVKFAOJ-IRXDYDNUSA-N 2 0 309.498 2.630 20 0 DFADRP CCC[C@](C)(CC)C(=O)N(C)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000373503516 428593687 /nfs/dbraw/zinc/59/36/87/428593687.db2.gz SGAJEPJEIMDKJI-HKUYNNGSSA-N 2 0 323.525 2.830 20 0 DFADRP CC(C)[C@H](C(=O)NCC[C@H](C)[N@H+](C)Cc1ccccc1)[C@H](C)[NH3+] ZINC000399696511 428541296 /nfs/dbraw/zinc/54/12/96/428541296.db2.gz ZOWSUWDUBDUISO-BQFCYCMXSA-N 2 0 319.493 2.633 20 0 DFADRP C[C@H](NC[C@]1(C)CCC[N@@H+]1Cc1ccccc1)[C@@H]1CCC[NH2+]1 ZINC000400811613 428547676 /nfs/dbraw/zinc/54/76/76/428547676.db2.gz YNKPJQDKDIJFAV-WDSOQIARSA-N 2 0 301.478 2.771 20 0 DFADRP c1ccc(C[NH+]2CCC(C[NH2+]CC[C@H]3CCOC3)CC2)cc1 ZINC000400669912 428548680 /nfs/dbraw/zinc/54/86/80/428548680.db2.gz YYJTZJYINMOIPQ-IBGZPJMESA-N 2 0 302.462 2.915 20 0 DFADRP CC[N@@H+]1CC[C@H]([NH2+][C@@H]2CCc3cnn(C(C)C)c3C2)[C@H](C)C1 ZINC000357597066 428550061 /nfs/dbraw/zinc/55/00/61/428550061.db2.gz GCIWRLIZTFKUMR-OIISXLGYSA-N 2 0 304.482 2.641 20 0 DFADRP C[C@H](C[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1)COCc1ccccc1 ZINC000401103361 428550722 /nfs/dbraw/zinc/55/07/22/428550722.db2.gz DPASNSDDCZLFEL-QXCFHYIPSA-N 2 0 302.462 2.817 20 0 DFADRP c1ccc(COCCCC[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000400909719 428551023 /nfs/dbraw/zinc/55/10/23/428551023.db2.gz AXZCXKSWXBNRMW-IPMKNSEASA-N 2 0 302.462 2.961 20 0 DFADRP c1ccc(COCCCC[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC000400909716 428551252 /nfs/dbraw/zinc/55/12/52/428551252.db2.gz AXZCXKSWXBNRMW-CEXWTWQISA-N 2 0 302.462 2.961 20 0 DFADRP Brc1ccccc1C[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000400979151 428551446 /nfs/dbraw/zinc/55/14/46/428551446.db2.gz HTDCQMVOJHAYEY-KWCYVHTRSA-N 2 0 309.251 2.927 20 0 DFADRP COc1ccc(OC)c([C@H](C)[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)c1 ZINC000400978180 428551573 /nfs/dbraw/zinc/55/15/73/428551573.db2.gz TUTNECTZKGNOJZ-BYNSBNAKSA-N 2 0 304.434 2.743 20 0 DFADRP Brc1cccc(CC[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)c1 ZINC000400953087 428551790 /nfs/dbraw/zinc/55/17/90/428551790.db2.gz XMAHYEJTCQLNGI-IIAWOOMASA-N 2 0 323.278 2.969 20 0 DFADRP CCC[C@](C)(CC)C(=O)N(C)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000373503518 428594343 /nfs/dbraw/zinc/59/43/43/428594343.db2.gz SGAJEPJEIMDKJI-MJGOQNOKSA-N 2 0 323.525 2.830 20 0 DFADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@H](CO)C1CC1 ZINC000353489939 428561831 /nfs/dbraw/zinc/56/18/31/428561831.db2.gz QKDBLTHIQFIBQZ-ATZDWAIDSA-N 2 0 302.462 2.505 20 0 DFADRP C[C@@H]1[C@H](C)[N@H+](Cc2ccccc2)[C@@H](C)CN1C[C@H]1CC[NH2+]C1 ZINC000404334440 428565462 /nfs/dbraw/zinc/56/54/62/428565462.db2.gz BNYYXCOVGQISFU-ZMMAXQRCSA-N 2 0 301.478 2.579 20 0 DFADRP C[C@H]([NH3+])CCC(=O)N1C[C@H](C)[N@H+](Cc2ccccc2)[C@@H](C)[C@H]1C ZINC000404326092 428565700 /nfs/dbraw/zinc/56/57/00/428565700.db2.gz VHVBCTWYEUJTLL-LUKYLMHMSA-N 2 0 317.477 2.624 20 0 DFADRP COc1ccc(C[C@H](C)[NH2+]CC2CC[NH+](C)CC2)c(C)c1OC ZINC000353520639 428574837 /nfs/dbraw/zinc/57/48/37/428574837.db2.gz OEBMNNYKWGYARH-AWEZNQCLSA-N 2 0 320.477 2.875 20 0 DFADRP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]CC(C)(C)N1CCc2ccccc2C1 ZINC000358009121 428575586 /nfs/dbraw/zinc/57/55/86/428575586.db2.gz BPPMQLIUWKRFJI-VQIMIIECSA-N 2 0 315.505 2.753 20 0 DFADRP Cc1cn2c(n1)[C@H](C[NH2+][C@@H]1CC[N@@H+](C)[C@H]3CCC[C@H]31)CCC2 ZINC000353522079 428576596 /nfs/dbraw/zinc/57/65/96/428576596.db2.gz UAWHLLGVVQKFTC-NXOAAHMSSA-N 2 0 302.466 2.531 20 0 DFADRP C[N@H+](CC1CC1)C[C@@H]1CC[NH+](C[C@@H](O)CCc2ccccc2)C1 ZINC000347436925 428577278 /nfs/dbraw/zinc/57/72/78/428577278.db2.gz KNQXOJPCJVLYGI-PMACEKPBSA-N 2 0 316.489 2.644 20 0 DFADRP COC1(C[NH+]2CCC(C[NH+]3C[C@H](C)O[C@@H](C)C3)CC2)CCCC1 ZINC000361580062 428579380 /nfs/dbraw/zinc/57/93/80/428579380.db2.gz VSKIJOFLUNPMFI-IRXDYDNUSA-N 2 0 324.509 2.767 20 0 DFADRP CCC(C)(C)[NH2+][C@@H](C)C(=O)NCc1ccc(C[NH+](C)C)cc1 ZINC000347529709 428598441 /nfs/dbraw/zinc/59/84/41/428598441.db2.gz QXGANHZLBSLDRX-AWEZNQCLSA-N 2 0 305.466 2.531 20 0 DFADRP CC[C@H](C(=O)NC[C@@]1([NH+](C)C)CCC[C@H](C)C1)[NH+](CC)CC ZINC000344038893 428615275 /nfs/dbraw/zinc/61/52/75/428615275.db2.gz IKEZXJUXAJOBEO-LZLYRXPVSA-N 2 0 311.514 2.734 20 0 DFADRP CCCN(CCC)C(=O)C[NH+]1CCC(CCC[NH+](C)C)CC1 ZINC000347590186 428618013 /nfs/dbraw/zinc/61/80/13/428618013.db2.gz YXENJPVTOHRWLA-UHFFFAOYSA-N 2 0 311.514 2.689 20 0 DFADRP CCC1(CC)[C@H](OC)C[C@@H]1[NH2+]CC1(SC)CC[NH+](C)CC1 ZINC000353609840 428619715 /nfs/dbraw/zinc/61/97/15/428619715.db2.gz KRODFLVRIWIVND-LSDHHAIUSA-N 2 0 314.539 2.997 20 0 DFADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@@]2(C)OCCc3sccc32)[C@@H](C)C1 ZINC000353608193 428620062 /nfs/dbraw/zinc/62/00/62/428620062.db2.gz HTUINUCRAFIOLQ-JLJPHGGASA-N 2 0 308.491 2.856 20 0 DFADRP CC[NH2+]Cc1cccc(NC(=O)N[C@H]2C[N@@H+](C(C)C)C[C@H]2C)c1 ZINC000415908491 428621479 /nfs/dbraw/zinc/62/14/79/428621479.db2.gz PQXDELFCXQDRMX-PBHICJAKSA-N 2 0 318.465 2.646 20 0 DFADRP CC[NH2+]Cc1cccc(NC(=O)N2CCC([NH2+]C(C)C)CC2)c1 ZINC000415902093 428622063 /nfs/dbraw/zinc/62/20/63/428622063.db2.gz CNMWXTPSZXYLNB-UHFFFAOYSA-N 2 0 318.465 2.790 20 0 DFADRP CC[NH2+]Cc1cccc(NC(=O)N(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)c1 ZINC000415907124 428622906 /nfs/dbraw/zinc/62/29/06/428622906.db2.gz MODOEPYQSURERY-RHSMWYFYSA-N 2 0 318.465 2.743 20 0 DFADRP C[NH2+]Cc1ccccc1NC(=O)N(C)CC[C@H]1CCCC[N@@H+]1C ZINC000415910058 428624930 /nfs/dbraw/zinc/62/49/30/428624930.db2.gz HAZNWKLNJNGGMA-MRXNPFEDSA-N 2 0 318.465 2.744 20 0 DFADRP C[NH2+]Cc1cccc(NC(=O)NCc2nccn2CC(C)C)c1 ZINC000415920157 428626444 /nfs/dbraw/zinc/62/64/44/428626444.db2.gz OURGDJOVAKLICF-UHFFFAOYSA-N 2 0 315.421 2.580 20 0 DFADRP C[NH2+]Cc1cccc(NC(=O)N[C@@H](C)C[NH+]2CCCCCC2)c1 ZINC000415934638 428630128 /nfs/dbraw/zinc/63/01/28/428630128.db2.gz RVDZTYLLJLGHHV-HNNXBMFYSA-N 2 0 318.465 2.792 20 0 DFADRP CC[NH2+]Cc1ccccc1NC(=O)NCC[N@@H+]1CCCC[C@@H]1C ZINC000415945928 428633234 /nfs/dbraw/zinc/63/32/34/428633234.db2.gz SCNYCLZOWNHLKA-HNNXBMFYSA-N 2 0 318.465 2.792 20 0 DFADRP CC[NH2+]Cc1ccccc1NC(=O)NCC[N@@H+]1CCCC[C@H]1C ZINC000415945929 428633459 /nfs/dbraw/zinc/63/34/59/428633459.db2.gz SCNYCLZOWNHLKA-OAHLLOKOSA-N 2 0 318.465 2.792 20 0 DFADRP COCC[N@@H+]1CCN(c2cc(C)[nH+]c3ccc(F)cc32)C[C@H]1C ZINC000301679031 274029997 /nfs/dbraw/zinc/02/99/97/274029997.db2.gz RFXLTKJOHMKCLQ-CQSZACIVSA-N 2 0 317.408 2.839 20 0 DFADRP Cc1ccc(CCC[NH+]2CC[C@H](C[N@H+](C)CC3CC3)C2)cn1 ZINC000353654395 428640961 /nfs/dbraw/zinc/64/09/61/428640961.db2.gz VCLHFUFDDUKJST-LJQANCHMSA-N 2 0 301.478 2.986 20 0 DFADRP C[NH2+]Cc1ccc(NC(=O)NC[C@@H]2CC[N@H+](CC(C)C)C2)cc1 ZINC000415985685 428642876 /nfs/dbraw/zinc/64/28/76/428642876.db2.gz TYISGGLRWTYZOR-INIZCTEOSA-N 2 0 318.465 2.505 20 0 DFADRP COc1ccc2c(c1)CC[N@@H+](CC[C@@H]1CCCC[NH+]1C)CC2 ZINC000374387753 274123257 /nfs/dbraw/zinc/12/32/57/274123257.db2.gz QTDWBTQRBDDRJS-SFHVURJKSA-N 2 0 302.462 2.970 20 0 DFADRP C[N@H+](Cc1ccccc1)CC(C)(C)CN1C[C@H]2CCC[NH2+][C@H]2C1 ZINC000353673977 428652894 /nfs/dbraw/zinc/65/28/94/428652894.db2.gz QMMCEJWYGXXZIL-MOPGFXCFSA-N 2 0 315.505 2.828 20 0 DFADRP CC[N@H+](CCC1CC[NH+](CC(=O)NC(C)C)CC1)CC(C)C ZINC000358743270 428653466 /nfs/dbraw/zinc/65/34/66/428653466.db2.gz GPCGMUGHOOSYKD-UHFFFAOYSA-N 2 0 311.514 2.591 20 0 DFADRP Clc1ccc(-c2n[nH]cc2CN2C[C@H]3CCC[NH2+][C@H]3C2)cc1 ZINC000353700293 428665397 /nfs/dbraw/zinc/66/53/97/428665397.db2.gz CPLKMXNKTSEQRT-CJNGLKHVSA-N 2 0 316.836 2.914 20 0 DFADRP C[C@@H]1CC(C[NH2+]C2CCN(c3cc[nH+]cc3)CC2)C[C@@H](C)O1 ZINC000298029966 274283191 /nfs/dbraw/zinc/28/31/91/274283191.db2.gz FTPPAVCOHCSLRH-HUUCEWRRSA-N 2 0 303.450 2.844 20 0 DFADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1[NH2+]C[C@@H]1CCN(c2ccccc2)C1 ZINC000152527803 274339162 /nfs/dbraw/zinc/33/91/62/274339162.db2.gz AOGDSUXIGWAICU-DFEOGRTESA-N 2 0 301.478 2.831 20 0 DFADRP C[C@@H]1C[N@H+](C[C@H]2CCCO2)CC[C@@H]1[NH2+]CCc1ccsc1 ZINC000362803186 274352618 /nfs/dbraw/zinc/35/26/18/274352618.db2.gz SPBPUHFQCQHVNH-OIISXLGYSA-N 2 0 308.491 2.770 20 0 DFADRP CC[C@@H](C(=O)NCCCC[N@@H+]1CCCC[C@@H]1C)[NH+](CC)CC ZINC000344540914 428674617 /nfs/dbraw/zinc/67/46/17/428674617.db2.gz KQVCYRNFSMUCAH-IRXDYDNUSA-N 2 0 311.514 2.878 20 0 DFADRP CC[NH+](CC)C[C@H]1CCN(C(=O)[C@@H](C(C)C)[NH+]2CCCCC2)C1 ZINC000362312198 428698902 /nfs/dbraw/zinc/69/89/02/428698902.db2.gz HZRDIXVNUPZHKD-QZTJIDSGSA-N 2 0 323.525 2.687 20 0 DFADRP CC[C@H](C)[NH+]1CCN(C(=O)C[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC000416249163 428699966 /nfs/dbraw/zinc/69/99/66/428699966.db2.gz WGOHIWCHILVVIV-FUHWJXTLSA-N 2 0 317.477 2.622 20 0 DFADRP CC(C)(C)OCC[NH+]1C[C@@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000348325387 428708008 /nfs/dbraw/zinc/70/80/08/428708008.db2.gz HSJIFZQONHDLQF-QZTJIDSGSA-N 2 0 302.462 2.865 20 0 DFADRP C[NH+](C)CCN(C(=O)[C@H](C1CC1)[NH+]1CCCC1)C1CCCCC1 ZINC000353775611 428709311 /nfs/dbraw/zinc/70/93/11/428709311.db2.gz TZZSFAOUJGVYFE-SFHVURJKSA-N 2 0 321.509 2.584 20 0 DFADRP C[C@@H]1CC[C@H](C[NH+]2C[C@@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)O1 ZINC000348333167 428710267 /nfs/dbraw/zinc/71/02/67/428710267.db2.gz XLLJBQWCMWDWCC-XGXHKWSGSA-N 2 0 300.446 2.618 20 0 DFADRP C[N@@H+]1CC[C@H]([NH2+]Cc2ccc(C[S@](C)=O)cc2)[C@H]2CCC[C@H]21 ZINC000353806045 428726863 /nfs/dbraw/zinc/72/68/63/428726863.db2.gz PFYZJBQVVJLGED-FOUBCARRSA-N 2 0 320.502 2.528 20 0 DFADRP CC(C)[NH+]1CCC(O)(C[NH2+]C[C@H]2C[C@@H]2c2ccccc2)CC1 ZINC000348250116 428680364 /nfs/dbraw/zinc/68/03/64/428680364.db2.gz WCHJNPIMPGGFDJ-QZTJIDSGSA-N 2 0 302.462 2.615 20 0 DFADRP CCN1CC[NH+](CCCC[NH2+]C[C@@H]2C[C@@H]2c2ccccc2)CC1 ZINC000348262031 428682550 /nfs/dbraw/zinc/68/25/50/428682550.db2.gz HZDZAOSDNFLQQH-VQTJNVASSA-N 2 0 315.505 2.797 20 0 DFADRP C[C@H](C(=O)N[C@@H](C[NH+](C)C)c1ccccc1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000411185930 428753738 /nfs/dbraw/zinc/75/37/38/428753738.db2.gz OLBBKNCWSYEFGF-HPFXQQBRSA-N 2 0 317.477 2.667 20 0 DFADRP COC(=O)[C@@H]1CC[N@H+](Cc2cccc(C[NH+]3CCCCC3)c2)C1 ZINC000411175587 428754815 /nfs/dbraw/zinc/75/48/15/428754815.db2.gz DKIJYJOIHGPELL-GOSISDBHSA-N 2 0 316.445 2.667 20 0 DFADRP CSC1(C[N@H+](C)C[C@@H]2CCCN(C)[C@H]2c2ccnn2C)CC1 ZINC000348489871 428758213 /nfs/dbraw/zinc/75/82/13/428758213.db2.gz HFLRKUHGBMXYSH-GOEBONIOSA-N 2 0 322.522 2.630 20 0 DFADRP C[C@@H](CC[NH+]1CCCO[C@H](C)C1)CC[N@@H+]1CCCO[C@@H](C)C1 ZINC000411219671 428761993 /nfs/dbraw/zinc/76/19/93/428761993.db2.gz QPGHWHWRLGWVSA-BCDXTJNWSA-N 2 0 312.498 2.624 20 0 DFADRP CC[N@@H+]1CC[C@@H](N(C)Cc2ccc(C(=O)OC)c(F)c2)C[C@@H]1C ZINC000362481481 428762824 /nfs/dbraw/zinc/76/28/24/428762824.db2.gz XDRBIKNWGSHPGV-DZGCQCFKSA-N 2 0 322.424 2.917 20 0 DFADRP C[C@@H]1CCC[C@@H](C[N@@H+]2CCCC[C@H](N3CCN(C)CC3)C2)C1 ZINC000374873483 428769450 /nfs/dbraw/zinc/76/94/50/428769450.db2.gz HNRKHAOIKQQHCH-QRVBRYPASA-N 2 0 307.526 2.915 20 0 DFADRP CC[C@@H]1COCC[NH+]1CCC(C)CC[N@H+]1CCOC[C@H]1CC ZINC000411277181 428770238 /nfs/dbraw/zinc/77/02/38/428770238.db2.gz VQRMBMFNEANQMG-QZTJIDSGSA-N 2 0 312.498 2.624 20 0 DFADRP CC[C@@H](C(=O)NCC[NH+](CC)C(C)C)[N@H+](C)Cc1ccccc1 ZINC000353907613 428772495 /nfs/dbraw/zinc/77/24/95/428772495.db2.gz RQEQFJMJLTUCJN-SFHVURJKSA-N 2 0 319.493 2.744 20 0 DFADRP COC(=O)C[C@@H]1CC[C@@H]([NH2+]C2CC[NH+](CC(C)C)CC2)[C@H]1C ZINC000353923791 428779017 /nfs/dbraw/zinc/77/90/17/428779017.db2.gz ARBKJPTXUGNVLG-YQQAZPJKSA-N 2 0 310.482 2.674 20 0 DFADRP CCN(CC)c1ncc(CN2CC[C@H]3CC[N@H+](C)C[C@H]32)s1 ZINC000374902815 428781554 /nfs/dbraw/zinc/78/15/54/428781554.db2.gz PAMONAJZWQMOSZ-UKRRQHHQSA-N 2 0 308.495 2.515 20 0 DFADRP COC(=O)C(C)(C)CC[NH2+]CCCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000353928025 428781689 /nfs/dbraw/zinc/78/16/89/428781689.db2.gz LBFJMAYLHUPXBV-HOTGVXAUSA-N 2 0 312.498 2.923 20 0 DFADRP CC(C)[C@H]([NH2+]C[C@@H]1CN(C)CCN1C)c1cc2ccccc2o1 ZINC000345177702 428786194 /nfs/dbraw/zinc/78/61/94/428786194.db2.gz RZHPFQKICRGMLS-APWZRJJASA-N 2 0 315.461 2.965 20 0 DFADRP CN(CC[N@H+](C)[C@H]1C[C@H]1c1cccc(F)c1)C1CC[NH+](C)CC1 ZINC000411407314 428789876 /nfs/dbraw/zinc/78/98/76/428789876.db2.gz IPNTUYGNGOTQKC-OALUTQOASA-N 2 0 319.468 2.639 20 0 DFADRP CC[NH+](CC)C[C@@H]1CCCC[C@H]1[NH2+]C[C@H](O)CC(F)(F)F ZINC000348412116 428735697 /nfs/dbraw/zinc/73/56/97/428735697.db2.gz ZPYYHNNXYXHUPW-BFHYXJOUSA-N 2 0 310.404 2.790 20 0 DFADRP CC[NH+](CC)CCO[C@@H]1CC[N@H+](Cc2cnn(C(C)(C)C)c2)C1 ZINC000354078476 428851266 /nfs/dbraw/zinc/85/12/66/428851266.db2.gz SFPNAMJXGXCPBX-QGZVFWFLSA-N 2 0 322.497 2.571 20 0 DFADRP Cc1cc2[nH]c(C[NH2+]C[C@@H](C)N3CC[NH+](C)CC3)cc2c(C)c1 ZINC000359085533 428809856 /nfs/dbraw/zinc/80/98/56/428809856.db2.gz JWQRGDPKWBWDBL-MRXNPFEDSA-N 2 0 314.477 2.510 20 0 DFADRP CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)C[NH+]1[C@H](C)CC[C@@H]1C ZINC000345251383 428816132 /nfs/dbraw/zinc/81/61/32/428816132.db2.gz QCGMRXPXLHLTJQ-IXDOHACOSA-N 2 0 309.498 2.630 20 0 DFADRP C[C@@H]1C[N@H+](Cc2cccc(C[NH+]3CCCCC3)c2)CC[C@@H]1O ZINC000411562754 428816315 /nfs/dbraw/zinc/81/63/15/428816315.db2.gz BYISKQJHJBYHEL-APWZRJJASA-N 2 0 302.462 2.875 20 0 DFADRP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]Cc1ccnc(N)c1 ZINC000411546427 428816850 /nfs/dbraw/zinc/81/68/50/428816850.db2.gz ZVCQCKPCZPMIHY-IGOJGBNBSA-N 2 0 324.472 2.910 20 0 DFADRP C[C@@H]1C[C@H](NC[C@H](C2CC2)[NH+](C)C)CC[N@@H+]1Cc1ccccc1 ZINC000359113295 428823076 /nfs/dbraw/zinc/82/30/76/428823076.db2.gz IKIIHHXBDIHNCR-NSISKUIASA-N 2 0 315.505 2.969 20 0 DFADRP COCCC[N@H+](CCO)Cc1cccc(C[NH+]2CCCCC2)c1 ZINC000411613000 428824629 /nfs/dbraw/zinc/82/46/29/428824629.db2.gz PCMQGVXKDNUHNN-UHFFFAOYSA-N 2 0 320.477 2.503 20 0 DFADRP c1ncc(CCN2C[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)s1 ZINC000411658726 428835001 /nfs/dbraw/zinc/83/50/01/428835001.db2.gz MZFCCETUNOYTMN-CALCHBBNSA-N 2 0 313.470 2.749 20 0 DFADRP c1ccc2c(NC[C@@H]3CCC[C@@H]3[NH+]3CCOCC3)cc[nH+]c2c1 ZINC000363007858 428840517 /nfs/dbraw/zinc/84/05/17/428840517.db2.gz PBJKRRAKAUMGPQ-KXBFYZLASA-N 2 0 311.429 2.570 20 0 DFADRP C[N@@H+]1CC[C@@H]2CN(Cc3cccc(C[NH+]4CCCCC4)c3)C[C@@H]21 ZINC000411787676 428858339 /nfs/dbraw/zinc/85/83/39/428858339.db2.gz LGHWZUZNJDGRER-UXHICEINSA-N 2 0 313.489 2.808 20 0 DFADRP CCc1ccccc1C[N@@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@@H]21 ZINC000375345074 428858630 /nfs/dbraw/zinc/85/86/30/428858630.db2.gz KVFCSBYMBLBCTF-GBESFXJTSA-N 2 0 302.462 2.933 20 0 DFADRP C[NH+](C)CC1(CNC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)CCCC1 ZINC000354091147 428859246 /nfs/dbraw/zinc/85/92/46/428859246.db2.gz IHMZMBVSYFZGEY-QGZVFWFLSA-N 2 0 321.509 2.632 20 0 DFADRP CC[NH+](CC)CCO[C@H]1CC[N@H+](Cc2c[nH]nc2C(C)(C)C)C1 ZINC000354105861 428866585 /nfs/dbraw/zinc/86/65/85/428866585.db2.gz FMTUGGXYUUHBPN-INIZCTEOSA-N 2 0 322.497 2.640 20 0 DFADRP C[N@H+](Cc1cc(-n2ccnc2)cs1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000348878003 428866678 /nfs/dbraw/zinc/86/66/78/428866678.db2.gz QCNKZKXISYNZCI-YIONKMFJSA-N 2 0 316.474 2.991 20 0 DFADRP C[N@H+](CCC1CC[NH2+]CC1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000359212177 428867221 /nfs/dbraw/zinc/86/72/21/428867221.db2.gz GBIBQGIRHIZIIS-HXUWFJFHSA-N 2 0 315.505 2.973 20 0 DFADRP C[C@H]([NH2+][C@H]1CCc2nccn2C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000375377631 428867522 /nfs/dbraw/zinc/86/75/22/428867522.db2.gz GLRNIQQWDHZSLZ-UHOSZYNNSA-N 3 0 324.472 2.698 20 0 DFADRP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+]1CC[C@@H](COC(F)F)C1 ZINC000348876137 428867566 /nfs/dbraw/zinc/86/75/66/428867566.db2.gz LUIOKTHMMTVLJP-CYBMUJFWSA-N 2 0 322.359 2.637 20 0 DFADRP CC1(C)C[C@@H]([NH2+]C[C@@H]2CC[N@H+](CCc3ccccc3)C2)CO1 ZINC000417893147 428871108 /nfs/dbraw/zinc/87/11/08/428871108.db2.gz DVZLZNCQJVWEIS-ZWKOTPCHSA-N 2 0 302.462 2.708 20 0 DFADRP c1ccc(CC[N@@H+](CCC2CC[NH2+]CC2)[C@H]2CCOC2)cc1 ZINC000359223737 428874896 /nfs/dbraw/zinc/87/48/96/428874896.db2.gz ZQNATSUVFFEMKM-IBGZPJMESA-N 2 0 302.462 2.710 20 0 DFADRP C[C@H]1C[C@@H](O)C[N@H+](Cc2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC000411877937 428875111 /nfs/dbraw/zinc/87/51/11/428875111.db2.gz QXEUBRNLTQXFCW-QFBILLFUSA-N 2 0 302.462 2.875 20 0 DFADRP C[C@@H]1C[C@@H](O)C[N@H+](Cc2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC000411877939 428876375 /nfs/dbraw/zinc/87/63/75/428876375.db2.gz QXEUBRNLTQXFCW-VQIMIIECSA-N 2 0 302.462 2.875 20 0 DFADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)Cc1ccccc1F ZINC000349062511 428911259 /nfs/dbraw/zinc/91/12/59/428911259.db2.gz MMIOHCDIFFDWNU-QGZVFWFLSA-N 2 0 307.457 2.674 20 0 DFADRP COc1ccc(C[N@@H+]2CCCC23CC[NH+](C)CC3)cc1OC ZINC000375509033 428902363 /nfs/dbraw/zinc/90/23/63/428902363.db2.gz VGIUVUBALIDQKH-UHFFFAOYSA-N 2 0 304.434 2.764 20 0 DFADRP CN(CC[N@H+](C)Cc1coc2ccccc12)C1CC[NH+](C)CC1 ZINC000349083724 428917023 /nfs/dbraw/zinc/91/70/23/428917023.db2.gz ZFMUNMUHXHMZFL-UHFFFAOYSA-N 2 0 315.461 2.891 20 0 DFADRP CC(C)COCC[N@H+](C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000375590016 428918469 /nfs/dbraw/zinc/91/84/69/428918469.db2.gz FMBDHKDMYNNXBK-UHFFFAOYSA-N 2 0 305.466 2.902 20 0 DFADRP CC(C)OC[C@H](C)[NH2+]C[C@@H]1CCCN(Cc2cccnc2)C1 ZINC000375590875 428918570 /nfs/dbraw/zinc/91/85/70/428918570.db2.gz JXCJGGWHYSKNNH-WMZOPIPTSA-N 2 0 305.466 2.697 20 0 DFADRP COc1ccc([C@H](O)[C@@H]2CCC[N@@H+]2CC[C@@H]2CCC[NH+]2C)cc1 ZINC000363460019 428918889 /nfs/dbraw/zinc/91/88/89/428918889.db2.gz VQJVBYHHHSGEKF-WDSOQIARSA-N 2 0 318.461 2.677 20 0 DFADRP Cc1ccnc(NC[C@H]2CC[N@@H+](C[C@H](O)CCC(C)C)C2)c1 ZINC000375638897 428930961 /nfs/dbraw/zinc/93/09/61/428930961.db2.gz KRDJBNVJPOGOHG-IAGOWNOFSA-N 2 0 305.466 2.921 20 0 DFADRP C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@@H]1[NH2+]CCCC(F)(F)F ZINC000363521080 428935374 /nfs/dbraw/zinc/93/53/74/428935374.db2.gz AHVWNDPNYZYWIL-RDBSUJKOSA-N 2 0 308.388 2.808 20 0 DFADRP C[C@@H]1CN(CCOC2CC[NH+](CC3(C)CCC3)CC2)C[C@H](C)O1 ZINC000349364407 428971701 /nfs/dbraw/zinc/97/17/01/428971701.db2.gz GKUBBFPLVWXYOX-CALCHBBNSA-N 2 0 324.509 2.767 20 0 DFADRP Cc1cc(C)nc(C2CC[NH+](CC[C@@H]3CCC[N@H+]3C)CC2)n1 ZINC000375700430 428947061 /nfs/dbraw/zinc/94/70/61/428947061.db2.gz FULBTNDPKHMCJU-KRWDZBQOSA-N 2 0 302.466 2.757 20 0 DFADRP FCCC[C@@H]1CCC[C@@H]1[NH2+]C[C@@H]1CCC[C@@H]1N1CCOCC1 ZINC000375703525 428949897 /nfs/dbraw/zinc/94/98/97/428949897.db2.gz HOJLPNXXIRHPHR-XSLAGTTESA-N 2 0 312.473 2.995 20 0 DFADRP C[C@@H](CC[NH2+][C@@H]1CCN(C2CC[NH+](C)CC2)C1)c1ccccc1 ZINC000375716548 428952101 /nfs/dbraw/zinc/95/21/01/428952101.db2.gz CKFLSFVZGFBTRO-PKOBYXMFSA-N 2 0 315.505 2.938 20 0 DFADRP c1cc(-c2ccc(CN3C[C@@H]4C[N@@H+]5CCCC[C@@H]5[C@H]4C3)o2)n[nH]1 ZINC000375755796 428962597 /nfs/dbraw/zinc/96/25/97/428962597.db2.gz GADNDIGNTUHKBH-UKPHBRMFSA-N 2 0 312.417 2.586 20 0 DFADRP C[N@@H+]1CCC[C@H]1CCN1CCCC[C@@H]1COC(=O)N1CCCC1 ZINC000375767881 428965318 /nfs/dbraw/zinc/96/53/18/428965318.db2.gz KGFDCCRHBYXEJK-DLBZAZTESA-N 2 0 323.481 2.558 20 0 DFADRP c1cc2cc(C[NH2+]C[C@H]3CN4CCCC[C@@H]4CO3)ccc2o1 ZINC000375765438 428965532 /nfs/dbraw/zinc/96/55/32/428965532.db2.gz VTJXHVIGVTVOAW-SJORKVTESA-N 2 0 300.402 2.776 20 0 DFADRP C[C@@H]([NH2+]CCC1=CC[NH2+]CC1)c1cnn(Cc2ccccc2)c1 ZINC000423535825 428967201 /nfs/dbraw/zinc/96/72/01/428967201.db2.gz FMEKHNYJWLSPHU-MRXNPFEDSA-N 2 0 310.445 2.892 20 0 DFADRP COc1cc(F)c([C@H](C)[NH2+]CCC2=CC[NH2+]CC2)cc1OC ZINC000423538622 428969542 /nfs/dbraw/zinc/96/95/42/428969542.db2.gz NPDGRVCOSZATPW-LBPRGKRZSA-N 2 0 308.397 2.803 20 0 DFADRP CC(C)C[C@@H]1CCC[C@@H]([NH2+]CCC[N@@H+]2CCC[C@H](C(N)=O)C2)C1 ZINC000354327529 428969883 /nfs/dbraw/zinc/96/98/83/428969883.db2.gz HHFHRKJRURTXOA-OKZBNKHCSA-N 2 0 323.525 2.768 20 0 DFADRP c1ccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@@H](NCCC[NH2+]C2CC2)C3)cc1 ZINC000423550430 428970348 /nfs/dbraw/zinc/97/03/48/428970348.db2.gz ILGRTLZBFQXHCD-ACDBMABISA-N 2 0 313.489 2.914 20 0 DFADRP C[NH+](C)C[C@H](NC(=O)C[C@@H]1CCC[C@H]1[NH3+])c1ccc(Cl)cc1 ZINC000423775924 429017480 /nfs/dbraw/zinc/01/74/80/429017480.db2.gz PTGOKXBMFVUCHG-IMJJTQAJSA-N 2 0 323.868 2.576 20 0 DFADRP CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCCCCC[C@@H]1[NH3+] ZINC000423792299 429020702 /nfs/dbraw/zinc/02/07/02/429020702.db2.gz DFLHPLMFESOYRS-IKGGRYGDSA-N 2 0 309.498 2.521 20 0 DFADRP CCO[C@@H]1COCC[C@@H]1[NH2+]C1CC[NH+]([C@H]2CCCC[C@@H]2C)CC1 ZINC000354976025 429022247 /nfs/dbraw/zinc/02/22/47/429022247.db2.gz FESQVQDGSYBZNA-DSLXNQLJSA-N 2 0 324.509 2.813 20 0 DFADRP CCO[C@@H]1COCC[C@@H]1[NH2+]C1CC[NH+]([C@@H]2CCCC[C@H]2C)CC1 ZINC000354976035 429022896 /nfs/dbraw/zinc/02/28/96/429022896.db2.gz FESQVQDGSYBZNA-QXCFHYIPSA-N 2 0 324.509 2.813 20 0 DFADRP C[NH+](C)[C@H]1CCCN(CC[N@@H+](C)Cc2ccc(F)cc2)CC1 ZINC000375945893 429023908 /nfs/dbraw/zinc/02/39/08/429023908.db2.gz HBVJGACMIQWACN-SFHVURJKSA-N 2 0 307.457 2.674 20 0 DFADRP CCC[C@H]([NH2+]C(C)C)C(=O)NC[C@@H]1CCCC[N@@H+]1CC(C)C ZINC000355113228 429029339 /nfs/dbraw/zinc/02/93/39/429029339.db2.gz FISVDOLCEUGDEL-IRXDYDNUSA-N 2 0 311.514 2.780 20 0 DFADRP C[C@@H]1C[C@H]([NH+]2CCCC2)CN1CC[N@H+](C)Cc1ccc(F)cc1 ZINC000375789844 428973772 /nfs/dbraw/zinc/97/37/72/428973772.db2.gz VBLQYCFNZFXPLF-APWZRJJASA-N 2 0 319.468 2.816 20 0 DFADRP C[NH+]1CCC(N2CC[C@H]([NH2+]Cc3ccc4occc4c3)C2)CC1 ZINC000375789822 428974126 /nfs/dbraw/zinc/97/41/26/428974126.db2.gz VAFNZYBBVGUKDO-KRWDZBQOSA-N 2 0 313.445 2.691 20 0 DFADRP C/C=C\C[C@H](CO)[NH2+][C@H](C)c1ccc(OCC[NH+](C)C)cc1 ZINC000349382775 428978560 /nfs/dbraw/zinc/97/85/60/428978560.db2.gz SYRNESPKDRJTMQ-BZOVTKSESA-N 2 0 306.450 2.605 20 0 DFADRP COC[C@H]([NH2+]C1CC[NH+]([C@@H]2CCC[C@@H](C)C2)CC1)[C@@H]1CCCO1 ZINC000433012389 428979185 /nfs/dbraw/zinc/97/91/85/428979185.db2.gz KHLYHQMFSBSAOQ-YSHGAJCASA-N 2 0 324.509 2.813 20 0 DFADRP CCCN(CCC[NH+](C)C)Cc1cc2c(cc1OC)OCO2 ZINC000349407586 428980189 /nfs/dbraw/zinc/98/01/89/428980189.db2.gz OMKRZFLLYGVUMG-UHFFFAOYSA-N 2 0 308.422 2.588 20 0 DFADRP CC(C)c1nccn1[C@@H]1CCCN(Cc2cn3cccnc3n2)C1 ZINC000375811713 428981385 /nfs/dbraw/zinc/98/13/85/428981385.db2.gz INOGYRCDCQHVPO-MRXNPFEDSA-N 2 0 324.432 2.886 20 0 DFADRP CC[C@H](C(=O)NC(C)(C)CCC[NH3+])[N@H+](C)Cc1ccccc1 ZINC000423681480 428995729 /nfs/dbraw/zinc/99/57/29/428995729.db2.gz NISBPKKWKRJCPP-MRXNPFEDSA-N 2 0 305.466 2.531 20 0 DFADRP [NH3+]C[C@@H]1CCCN1Cc1c(-c2ccccc2)nc2ccccn21 ZINC000433495121 429034155 /nfs/dbraw/zinc/03/41/55/429034155.db2.gz ZRLFWIZUEATTNI-INIZCTEOSA-N 2 0 306.413 2.924 20 0 DFADRP CC(C)[C@@H](C(=O)NC[C@@H](C)[N@@H+]1CCC[C@@H](C)C1)[NH+]1CCCCC1 ZINC000354632307 429002063 /nfs/dbraw/zinc/00/20/63/429002063.db2.gz LYTHRPVNRUVCSL-KURKYZTESA-N 2 0 323.525 2.734 20 0 DFADRP C[C@H]([NH3+])c1ccc(C(=O)N(CC[NH+](C)C)C2CCCC2)cc1 ZINC000423716343 429003194 /nfs/dbraw/zinc/00/31/94/429003194.db2.gz WXGXAGNXEBLOAB-AWEZNQCLSA-N 2 0 303.450 2.653 20 0 DFADRP C[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCCN(C(=O)C[C@@H]2CCC[NH2+]CC2)C1 ZINC000423724608 429005002 /nfs/dbraw/zinc/00/50/02/429005002.db2.gz HBPZGBHROYGWHL-XMTFNYHQSA-N 2 0 321.509 2.630 20 0 DFADRP CC(C)[C@H](C[NH3+])C(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC000433174285 429005207 /nfs/dbraw/zinc/00/52/07/429005207.db2.gz MQECYGZGDCBNMW-SFHVURJKSA-N 2 0 317.477 2.884 20 0 DFADRP C[C@@H](C(=O)NC1CCC(C[NH+](C)C)CC1)[C@@H]([NH3+])c1ccccc1 ZINC000423745450 429007697 /nfs/dbraw/zinc/00/76/97/429007697.db2.gz MRVIIFVNJVZQFQ-VSVYTNTFSA-N 2 0 317.477 2.559 20 0 DFADRP CC1CC[NH+](CCCC[NH2+][C@@H]2CC[N@H+](C)[C@H]3CCC[C@H]32)CC1 ZINC000375892129 429008026 /nfs/dbraw/zinc/00/80/26/429008026.db2.gz XVIGEDBYFQCOAD-OTWHNJEPSA-N 3 0 307.526 2.961 20 0 DFADRP C[C@@H](CC(=O)N(C)CC[N@H+](C)C1CCCCC1)[C@H]1CCC[NH2+]C1 ZINC000423766964 429012336 /nfs/dbraw/zinc/01/23/36/429012336.db2.gz VVDJYUDUGOXTRM-IRXDYDNUSA-N 2 0 323.525 2.735 20 0 DFADRP Cc1ccc(CC[N@H+]2CC[C@@H](N3CC[NH+](C(C)C)CC3)C2)cc1 ZINC000375906333 429014176 /nfs/dbraw/zinc/01/41/76/429014176.db2.gz VGFYDZZEMSGSMB-HXUWFJFHSA-N 2 0 315.505 2.638 20 0 DFADRP CC(C)[N@@H+]1[C@@H]2CC[C@H]1CN(C(=O)c1ccc([C@H](C)[NH3+])cc1)CC2 ZINC000423769966 429014303 /nfs/dbraw/zinc/01/43/03/429014303.db2.gz CWYYPBMFOLMMDD-QGTPRVQTSA-N 2 0 315.461 2.794 20 0 DFADRP C[NH+](C)[C@H]1CCCN(C(=O)C(C)(C)[C@H]([NH3+])c2ccccc2)CC1 ZINC000423774176 429014805 /nfs/dbraw/zinc/01/48/05/429014805.db2.gz KSVCYCXRWLMPCY-DLBZAZTESA-N 2 0 317.477 2.655 20 0 DFADRP C/C=C/COc1ccc(CC[C@H](C)[NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)cc1 ZINC000423447759 429089847 /nfs/dbraw/zinc/08/98/47/429089847.db2.gz AFLMHCCCZKMBJK-GZANACJOSA-N 2 0 300.446 2.770 20 0 DFADRP [NH3+][C@@H]1CCC[C@@H](C[NH2+][C@H](c2ccc(F)cc2)c2cnccn2)C1 ZINC000423460367 429090845 /nfs/dbraw/zinc/09/08/45/429090845.db2.gz AUIZZEFXTIDQGS-MZMPZRCHSA-N 2 0 314.408 2.812 20 0 DFADRP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCC[C@H]([NH3+])C2)CN1Cc1ccccc1 ZINC000423471616 429092571 /nfs/dbraw/zinc/09/25/71/429092571.db2.gz MPQJFUWXAUUQQB-YSHGAJCASA-N 2 0 301.478 2.757 20 0 DFADRP C[C@@H]1C[C@H]([NH2+]CCC[C@H]2CCC[NH2+]2)CN1Cc1ccccc1 ZINC000423469681 429092678 /nfs/dbraw/zinc/09/26/78/429092678.db2.gz CZMUWXZJLFENPA-QRQLOZEOSA-N 2 0 301.478 2.771 20 0 DFADRP C[C@H]([NH2+]C[C@@H]1CCNCC1(F)F)c1ccc(-n2ccnc2)cc1 ZINC000423463641 429093140 /nfs/dbraw/zinc/09/31/40/429093140.db2.gz ASGDRGSQEPMVQD-ZFWWWQNUSA-N 3 0 320.387 2.768 20 0 DFADRP C[C@@H]([NH2+]CCC[C@H]1CCC[NH2+]1)c1ccc(OCC[NH+](C)C)cc1 ZINC000423476632 429093711 /nfs/dbraw/zinc/09/37/11/429093711.db2.gz JEBWSIYUHBBHDO-AEFFLSMTSA-N 3 0 319.493 2.810 20 0 DFADRP C[C@H]([NH3+])[C@H](C)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H]2CCC[C@H]21 ZINC000423479999 429095242 /nfs/dbraw/zinc/09/52/42/429095242.db2.gz VWKOKZNMOKMRSY-WAARBJQMSA-N 2 0 301.478 2.755 20 0 DFADRP Clc1cc2c(c(Cl)c1)[C@H](NC[C@H]1C[NH2+]CCCO1)CC2 ZINC000423484810 429095909 /nfs/dbraw/zinc/09/59/09/429095909.db2.gz AHWQMCPBRMQYMZ-TZMCWYRMSA-N 2 0 315.244 2.949 20 0 DFADRP [NH3+][C@@H](CCC(=O)NCC[NH+]1CCCCC1)CC1CCCCC1 ZINC000424135469 429095870 /nfs/dbraw/zinc/09/58/70/429095870.db2.gz MKTGAFKWQRQEJH-KRWDZBQOSA-N 2 0 309.498 2.666 20 0 DFADRP [NH3+][C@H](CCC(=O)N1CC[NH+](CC2CC2)CC1)CC1CCCCC1 ZINC000424132984 429096366 /nfs/dbraw/zinc/09/63/66/429096366.db2.gz LORYBDWDHUIXLN-GOSISDBHSA-N 2 0 321.509 2.619 20 0 DFADRP CCC[C@H](C)[C@H]1CCCN1C(=O)CCC[NH+]1CCC([NH3+])CC1 ZINC000423858437 429039105 /nfs/dbraw/zinc/03/91/05/429039105.db2.gz ZMVZFHLRDXPYSG-DOTOQJQBSA-N 2 0 309.498 2.617 20 0 DFADRP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)NCC(C)(C)[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000355412321 429043210 /nfs/dbraw/zinc/04/32/10/429043210.db2.gz PHYOTXUDMNHJAE-VQHPVUNQSA-N 2 0 323.525 2.732 20 0 DFADRP CC(C)c1ccc2c(c1)[C@H](NC[C@H]1C[NH2+]CCCO1)CCCO2 ZINC000423485297 429096560 /nfs/dbraw/zinc/09/65/60/429096560.db2.gz AZQPXBDFEOBZJJ-SJLPKXTDSA-N 2 0 318.461 2.992 20 0 DFADRP CC(C)[C@@H]([NH3+])CN[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000423279492 429056002 /nfs/dbraw/zinc/05/60/02/429056002.db2.gz SBDDLSZTWMPSIV-RDGPPVDQSA-N 2 0 301.478 2.755 20 0 DFADRP Cc1nc(C[NH3+])ccc1[C@@H](C)NCC[NH2+]C1CCCCCC1 ZINC000423286479 429057658 /nfs/dbraw/zinc/05/76/58/429057658.db2.gz HPGUMAUIDNXPKB-CQSZACIVSA-N 2 0 304.482 2.812 20 0 DFADRP COc1ccc2c(c1)C[C@@H]([NH2+]Cc1ccc([C@@H](C)[NH3+])cc1)CO2 ZINC000423291780 429058323 /nfs/dbraw/zinc/05/83/23/429058323.db2.gz JVAAQYHKYYHQJS-CXAGYDPISA-N 2 0 312.413 2.808 20 0 DFADRP C[C@H](C[NH3+])C[NH2+][C@@H]1CCCOc2ccc(Br)cc21 ZINC000423299374 429059449 /nfs/dbraw/zinc/05/94/49/429059449.db2.gz PYWQVTKBPMMPBY-ZWNOBZJWSA-N 2 0 313.239 2.847 20 0 DFADRP [NH3+]C[C@@H](NC(=O)c1cccc(C[NH+]2CCCC2)c1)C1CCCC1 ZINC000423935933 429059684 /nfs/dbraw/zinc/05/96/84/429059684.db2.gz BITUCRGWXFFMIK-GOSISDBHSA-N 2 0 315.461 2.530 20 0 DFADRP CCc1ccccc1[C@@H]([NH3+])CNC(=O)[C@@H]([NH3+])CC1CCCCC1 ZINC000423938968 429059954 /nfs/dbraw/zinc/05/99/54/429059954.db2.gz KZMNIUBTHJIHAR-ROUUACIJSA-N 2 0 317.477 2.663 20 0 DFADRP c1ccc(C[N@@H+]2CC[C@H](N[C@H]3CCC[NH2+]C3)[C@H]3CCC[C@H]32)cc1 ZINC000423303451 429060846 /nfs/dbraw/zinc/06/08/46/429060846.db2.gz LODFVJHFLRMHNH-ZGXWSNOMSA-N 3 0 313.489 2.771 20 0 DFADRP CC[C@H](NCC[NH2+]CCOC)c1ccc(Br)cc1 ZINC000423310716 429061078 /nfs/dbraw/zinc/06/10/78/429061078.db2.gz AVRZGIKCSFEGCF-AWEZNQCLSA-N 2 0 315.255 2.726 20 0 DFADRP C[NH+](C)Cc1ccc(NC(=O)[C@@H](C2CC2)[NH+]2CCCC2)c(F)c1 ZINC000412563423 429062036 /nfs/dbraw/zinc/06/20/36/429062036.db2.gz ZPROPJKNIFYTCJ-QGZVFWFLSA-N 2 0 319.424 2.700 20 0 DFADRP [NH3+]CCCC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H]2CCC[C@@H]21 ZINC000423322334 429063388 /nfs/dbraw/zinc/06/33/88/429063388.db2.gz IFRCMZYYERQIHR-QRVBRYPASA-N 3 0 301.478 2.758 20 0 DFADRP CC[NH+](CC)Cc1cccc(CNC(=O)[C@@H]2CCC[NH2+][C@H]2C)c1 ZINC000423329932 429064637 /nfs/dbraw/zinc/06/46/37/429064637.db2.gz OZIORMUDCDLCNB-MAUKXSAKSA-N 2 0 317.477 2.533 20 0 DFADRP CC[C@H](C(=O)N[C@H](C[NH3+])C1CCCC1)[N@H+](C)Cc1ccccc1 ZINC000423960709 429065476 /nfs/dbraw/zinc/06/54/76/429065476.db2.gz NMDHTLLMNQVWCO-QZTJIDSGSA-N 2 0 317.477 2.531 20 0 DFADRP COC(=O)CCC[C@H]1CCC[C@H]([NH2+]CC2(C)CC[NH2+]CC2)C1 ZINC000423337902 429067657 /nfs/dbraw/zinc/06/76/57/429067657.db2.gz UJUGAILYJKPWOA-CVEARBPZSA-N 2 0 310.482 2.868 20 0 DFADRP COc1ccc(C[C@H](C)[NH2+]CC2(C)CC[NH2+]CC2)c(C)c1OC ZINC000423340267 429067780 /nfs/dbraw/zinc/06/77/80/429067780.db2.gz VUOSNIBEXWQJAE-AWEZNQCLSA-N 2 0 320.477 2.923 20 0 DFADRP C[C@H]([NH2+]CC1(C)CC[NH2+]CC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000423337852 429068052 /nfs/dbraw/zinc/06/80/52/429068052.db2.gz UGPOWPZGJHSQOR-PKOBYXMFSA-N 3 0 315.505 2.876 20 0 DFADRP Brc1cccc2c1C[C@H]([NH2+]C[C@H]1CC[NH2+]C1)CC2 ZINC000423346976 429069438 /nfs/dbraw/zinc/06/94/38/429069438.db2.gz QLHCFPUXTYOILS-WCQYABFASA-N 2 0 309.251 2.506 20 0 DFADRP COc1ccc([C@@H](C)[NH2+]C[C@@H]2CCNCC2(F)F)c(F)c1 ZINC000423485603 429097164 /nfs/dbraw/zinc/09/71/64/429097164.db2.gz TXIAETZFKKOTGM-MNOVXSKESA-N 2 0 302.340 2.730 20 0 DFADRP Clc1ccccc1C[C@H]([NH2+]CC1=CC[NH2+]CC1)[C@@H]1CCCO1 ZINC000423360710 429071229 /nfs/dbraw/zinc/07/12/29/429071229.db2.gz WJEBQJZGMPQKSG-ROUUACIJSA-N 2 0 320.864 2.939 20 0 DFADRP C[C@@H]1CCC[C@H](C)[N@H+]1CCNc1cc(N2CCCC2)ncn1 ZINC000434099694 429071297 /nfs/dbraw/zinc/07/12/97/429071297.db2.gz KDOVKTGOBICCKX-GASCZTMLSA-N 2 0 303.454 2.752 20 0 DFADRP C[C@H](CCCC[NH3+])[NH2+][C@@H]1CNCC[C@H]1c1ccc(F)c(F)c1 ZINC000423361929 429071285 /nfs/dbraw/zinc/07/12/85/429071285.db2.gz HDKUVJUIIJAEHF-HACGYAERSA-N 2 0 311.420 2.517 20 0 DFADRP Cc1cnc(C[N@H+](C)CC2CCN(c3cc[nH+]cc3)CC2)o1 ZINC000376177460 429071850 /nfs/dbraw/zinc/07/18/50/429071850.db2.gz HZKNQNUEPHLVIZ-UHFFFAOYSA-N 2 0 300.406 2.726 20 0 DFADRP CC(C)[N@@H+]1CCC[C@@H](CNC(=O)c2ccc([C@@H](C)[NH3+])cc2)C1 ZINC000423359868 429072002 /nfs/dbraw/zinc/07/20/02/429072002.db2.gz PSZGYQVKIIVEBR-CABCVRRESA-N 2 0 303.450 2.557 20 0 DFADRP COc1ccc([C@@H](C)[C@H](C)[NH2+]CC2=CC[NH2+]CC2)cc1OC ZINC000423352339 429072931 /nfs/dbraw/zinc/07/29/31/429072931.db2.gz KGNOUHVNLNOXCW-KBPBESRZSA-N 2 0 304.434 2.705 20 0 DFADRP C[C@H]([NH2+][C@H]1CCC[C@@H]([NH3+])C1)c1ccc(-n2cncn2)cc1Cl ZINC000423368097 429074460 /nfs/dbraw/zinc/07/44/60/429074460.db2.gz CWXVEGZHILCGJR-XQQFMLRXSA-N 2 0 319.840 2.841 20 0 DFADRP [NH3+][C@H]1CCC[C@@H]([NH2+]C2CCN(c3ccc(F)cc3F)CC2)C1 ZINC000423365983 429075031 /nfs/dbraw/zinc/07/50/31/429075031.db2.gz BIXWRAJJDZPFHQ-DZGCQCFKSA-N 2 0 309.404 2.793 20 0 DFADRP C[C@@H]([NH3+])c1ccc(C(=O)N[C@H](C)C[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000423365776 429075390 /nfs/dbraw/zinc/07/53/90/429075390.db2.gz PSGASNYWUBHJFV-RBSFLKMASA-N 2 0 303.450 2.557 20 0 DFADRP C[C@@H]1C[C@H](N[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)CC[NH2+]1 ZINC000423382250 429076523 /nfs/dbraw/zinc/07/65/23/429076523.db2.gz OTGUPKBTVWHJKK-PSBWJHGTSA-N 3 0 301.478 2.627 20 0 DFADRP CCC[C@@H]([NH2+]C[C@@H](N1CC[NH2+]CC1)C(F)(F)F)C1CCCC1 ZINC000423396625 429078353 /nfs/dbraw/zinc/07/83/53/429078353.db2.gz RVVYLHVLKXSXHP-HUUCEWRRSA-N 2 0 321.431 2.771 20 0 DFADRP C[C@@H]([NH2+]C(C)(C)CNC(=O)[C@H]1C[C@H](C)CC[NH2+]1)c1ccccc1 ZINC000423387657 429078880 /nfs/dbraw/zinc/07/88/80/429078880.db2.gz SUECIFKZIJRRDE-BFYDXBDKSA-N 2 0 317.477 2.620 20 0 DFADRP CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@@H]2CC[NH2+]C[C@@H]2C)c2ccccc21 ZINC000423389319 429079739 /nfs/dbraw/zinc/07/97/39/429079739.db2.gz JICJAWDFCRBSLR-LIRZEXBASA-N 2 0 316.445 2.756 20 0 DFADRP COCC1(C[NH2+][C@@H]2CCc3ccc(Cl)cc32)CC[NH2+]CC1 ZINC000423407563 429081124 /nfs/dbraw/zinc/08/11/24/429081124.db2.gz MRQNMBYZQOCVBT-MRXNPFEDSA-N 2 0 308.853 2.933 20 0 DFADRP COc1ccc([C@H](C)[NH2+][C@H]2CCC[C@H]([NH3+])C2)cc1NC(C)=O ZINC000423406896 429081661 /nfs/dbraw/zinc/08/16/61/429081661.db2.gz ZIORHZHOZNGJRW-CQDKDKBSSA-N 2 0 305.422 2.574 20 0 DFADRP C[C@@H]1[NH2+]CCC[C@@H]1N[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000423398740 429082160 /nfs/dbraw/zinc/08/21/60/429082160.db2.gz VJZJOCVVAYUGNQ-UVBQOVKKSA-N 2 0 313.489 2.912 20 0 DFADRP COCC1(C[NH2+][C@@H](C)c2ccc3ccccc3n2)CC[NH2+]CC1 ZINC000423405052 429082375 /nfs/dbraw/zinc/08/23/75/429082375.db2.gz IZGSZWIUAJZXIX-HNNXBMFYSA-N 2 0 313.445 2.902 20 0 DFADRP Cc1ccc([C@H](Cc2ccccc2)[NH2+]C[C@H]2C[NH2+]C[C@H]2O)cc1C ZINC000423411566 429082819 /nfs/dbraw/zinc/08/28/19/429082819.db2.gz UVNILNVTYPLQAL-QHAWAJNXSA-N 2 0 324.468 2.757 20 0 DFADRP COC[C@]1(C[NH2+][C@H]2CCC[C@H](c3ncccc3C)C2)CCC[NH2+]1 ZINC000423414449 429082980 /nfs/dbraw/zinc/08/29/80/429082980.db2.gz MYABDWVPXWVNAX-JENIJYKNSA-N 2 0 317.477 2.774 20 0 DFADRP COC[C@@]1(C[NH2+][C@@H](Cc2ccc(C)cc2)C2CC2)CCC[NH2+]1 ZINC000423412796 429083287 /nfs/dbraw/zinc/08/32/87/429083287.db2.gz IOZPIAUUXGIAHA-OALUTQOASA-N 2 0 302.462 2.674 20 0 DFADRP COCC1(C[NH2+][C@@H](c2cccnc2)C2CCC2)CC[NH2+]CC1 ZINC000423411398 429083610 /nfs/dbraw/zinc/08/36/10/429083610.db2.gz UJFKMWAYMPYKKW-QGZVFWFLSA-N 2 0 303.450 2.529 20 0 DFADRP Cc1c([C@H](C)[NH2+][C@H](C)CCCC[NH3+])nnn1-c1ccccc1 ZINC000423425841 429085405 /nfs/dbraw/zinc/08/54/05/429085405.db2.gz HGWPUSNQJZWGJG-KGLIPLIRSA-N 2 0 301.438 2.744 20 0 DFADRP C[C@H]([NH3+])c1ccc(C(=O)N2CC[N@H+](C)CC23CCCCC3)cc1 ZINC000423424423 429085777 /nfs/dbraw/zinc/08/57/77/429085777.db2.gz FNYRDNXFIXHAOR-HNNXBMFYSA-N 2 0 315.461 2.797 20 0 DFADRP C[C@H]([NH3+])[C@H]1CCCN(C(=O)CC[C@@H]([NH3+])CC2CCCCC2)C1 ZINC000424076420 429086684 /nfs/dbraw/zinc/08/66/84/429086684.db2.gz LSUANITVFQNOKD-BHYGNILZSA-N 2 0 309.498 2.650 20 0 DFADRP C[C@@H]([NH3+])c1ccc(C(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)cc1 ZINC000423427842 429086636 /nfs/dbraw/zinc/08/66/36/429086636.db2.gz NXQLXEOGCKKVOB-CJNGLKHVSA-N 2 0 305.466 2.803 20 0 DFADRP Cc1ccc([C@H]([NH2+]C[C@H]2C[NH2+]C[C@@H]2O)C2CCCCC2)cc1 ZINC000423431425 429087175 /nfs/dbraw/zinc/08/71/75/429087175.db2.gz QNCFZHSSQKKRQJ-CEXWTWQISA-N 2 0 302.462 2.786 20 0 DFADRP C[C@@H](Oc1ccc(Cl)cc1Cl)[C@H](C)[NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000423436135 429087915 /nfs/dbraw/zinc/08/79/15/429087915.db2.gz PNGQITDANFXYGH-IXCNWUDHSA-N 2 0 315.244 2.957 20 0 DFADRP C[C@@H](CNC(=O)CC[C@@H]([NH3+])CC1CCCCC1)[N@H+](C)C1CC1 ZINC000424143227 429097697 /nfs/dbraw/zinc/09/76/97/429097697.db2.gz FNTNQDFFPMTFMQ-GOEBONIOSA-N 2 0 309.498 2.663 20 0 DFADRP Cc1ccc([C@@H](C)NC(=O)CN(C)[C@H]2CCC[NH2+]CC2)cc1C ZINC000435615693 429152278 /nfs/dbraw/zinc/15/22/78/429152278.db2.gz JWRKBHBBZDGCGY-AEFFLSMTSA-N 2 0 317.477 2.555 20 0 DFADRP COc1ccc(-c2nc(CN(C)[C@@H]3CCC[NH2+]CC3)co2)cc1 ZINC000435619039 429154027 /nfs/dbraw/zinc/15/40/27/429154027.db2.gz WHGSTSFDXJEMED-MRXNPFEDSA-N 2 0 315.417 2.924 20 0 DFADRP C[C@H]([NH2+][C@H]1CC[C@H](C[NH3+])C1)c1cccc(N2CCCC2=O)c1 ZINC000423497419 429098353 /nfs/dbraw/zinc/09/83/53/429098353.db2.gz YTVTZEOKPFUUMQ-DZKIICNBSA-N 2 0 301.434 2.591 20 0 DFADRP CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)CC[C@@H]([NH3+])CC1CCCCC1 ZINC000424140707 429098457 /nfs/dbraw/zinc/09/84/57/429098457.db2.gz WOOCOIGAWYIBFM-QZTJIDSGSA-N 2 0 323.525 2.865 20 0 DFADRP C[C@]1(CNC(=O)CC[C@H]([NH3+])CC2CCCCC2)CCC[NH2+]C1 ZINC000424140267 429098520 /nfs/dbraw/zinc/09/85/20/429098520.db2.gz FDVZKRSTCJNBSW-WMZOPIPTSA-N 2 0 309.498 2.570 20 0 DFADRP Cc1cc(F)c(C[NH2+]CCCC[N@@H+]2CCC[C@@H]2CO)c(F)c1 ZINC000424146007 429098552 /nfs/dbraw/zinc/09/85/52/429098552.db2.gz OQLVDNFCCBGZPO-CQSZACIVSA-N 2 0 312.404 2.600 20 0 DFADRP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+][C@H]2CC[C@H](C[NH3+])C2)CC1 ZINC000423503272 429101277 /nfs/dbraw/zinc/10/12/77/429101277.db2.gz KIKMGCKFMKNSBU-KPFFTGBYSA-N 3 0 315.505 2.799 20 0 DFADRP CC[C@@H](c1ccc(C(=O)OC)cc1)[N@@H+]1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000423505225 429101537 /nfs/dbraw/zinc/10/15/37/429101537.db2.gz GRXUVYZEPIZDFU-RPVQJOFSSA-N 2 0 304.434 2.841 20 0 DFADRP CN(C(=O)CC[C@@H]([NH3+])CC1CCCCC1)[C@@H]1CCC[NH2+]CC1 ZINC000424164124 429102641 /nfs/dbraw/zinc/10/26/41/429102641.db2.gz WKFYMKYSFYVMRG-IAGOWNOFSA-N 2 0 309.498 2.665 20 0 DFADRP C[C@@H](c1ccc2c(c1)C(C)(C)C(=O)N2)[N@@H+]1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000423512810 429102972 /nfs/dbraw/zinc/10/29/72/429102972.db2.gz QLUBLTWOWPLXMB-QHRIQVFBSA-N 2 0 315.461 2.894 20 0 DFADRP CCO[C@@H]1C[C@H]([N@@H+]2C[C@@H](C)[C@](C)(C[NH3+])C2)[C@@H]1Oc1ccccc1 ZINC000423516422 429105325 /nfs/dbraw/zinc/10/53/25/429105325.db2.gz WVLCWBKHQCYFLT-LZBKUMLDSA-N 2 0 318.461 2.528 20 0 DFADRP [NH3+][C@@H](CCC(=O)N1CCC[C@@]2(CC[NH2+]C2)C1)CC1CCCCC1 ZINC000424176309 429105365 /nfs/dbraw/zinc/10/53/65/429105365.db2.gz OUHNXMZXGOIAMC-HKUYNNGSSA-N 2 0 321.509 2.666 20 0 DFADRP CC[N@H+](Cc1ccc(C(=O)N[C@H]2CCC[NH2+][C@@H]2C)cc1)C1CC1 ZINC000434704142 429107293 /nfs/dbraw/zinc/10/72/93/429107293.db2.gz XGPLKVGUPORYFQ-KDOFPFPSSA-N 2 0 315.461 2.541 20 0 DFADRP CO[C@@H]1[C@H](C)[C@@H]([NH2+]CC2([NH3+])C3CC4CC(C3)CC2C4)C12CCC2 ZINC000423530664 429110845 /nfs/dbraw/zinc/11/08/45/429110845.db2.gz RQPBSRWONAMDJV-BVUGMECPSA-N 2 0 318.505 2.933 20 0 DFADRP CCC[NH+](CCC)CCCC(=O)N1CC[C@@H]([NH+]2CCCC2)[C@H]1C ZINC000376419697 429111588 /nfs/dbraw/zinc/11/15/88/429111588.db2.gz GKMHUDLCIIRANN-QZTJIDSGSA-N 2 0 323.525 2.974 20 0 DFADRP CC[NH+](CC)Cc1ccc(C[NH2+]C2CC(CC(=O)OC)C2)cc1 ZINC000424257482 429114595 /nfs/dbraw/zinc/11/45/95/429114595.db2.gz KLTCKMCZSKWKSJ-UHFFFAOYSA-N 2 0 318.461 2.960 20 0 DFADRP CC[N@@H+]1CC[C@H](N(C)C[C@@H](C[NH3+])c2ccc(F)cc2)C[C@@H]1C ZINC000424275362 429117854 /nfs/dbraw/zinc/11/78/54/429117854.db2.gz AUOJYSTYIKPAGT-LESCRADOSA-N 2 0 307.457 2.673 20 0 DFADRP C[N@H+](CC1CC1)C[C@H]1CCN(C[C@@H](C[NH3+])c2ccc(F)cc2)C1 ZINC000424277131 429118063 /nfs/dbraw/zinc/11/80/63/429118063.db2.gz BLZVVAKIUKDVAW-SJLPKXTDSA-N 2 0 319.468 2.532 20 0 DFADRP C[C@@H]1CC2(C[N@@H+]1Cc1cn3cc(Cl)ccc3n1)CC[NH2+]CC2 ZINC000424286609 429119012 /nfs/dbraw/zinc/11/90/12/429119012.db2.gz HLHCHWZVPOOALB-CYBMUJFWSA-N 2 0 318.852 2.952 20 0 DFADRP CCN(C(=O)C[N@@H+]1CC2(C[C@@H]1C)CC[NH2+]CC2)c1ccccc1 ZINC000424283798 429119306 /nfs/dbraw/zinc/11/93/06/429119306.db2.gz CEJCPYPZXXHIQC-INIZCTEOSA-N 2 0 315.461 2.504 20 0 DFADRP Clc1ccc(C[NH+]2CCC(n3ncc4c3C[NH2+]C4)CC2)cc1 ZINC000424285707 429120175 /nfs/dbraw/zinc/12/01/75/429120175.db2.gz GHUDMVYOXGLKIN-UHFFFAOYSA-N 2 0 316.836 2.977 20 0 DFADRP C[C@@H]1CC2(C[N@@H+]1Cc1cc3ccccc3[nH]c1=O)CC[NH2+]CC2 ZINC000424293009 429120886 /nfs/dbraw/zinc/12/08/86/429120886.db2.gz PFIVKFRCYDNNGZ-CQSZACIVSA-N 2 0 311.429 2.904 20 0 DFADRP C[C@@H]1CC2(C[N@@H+]1Cc1ccn(-c3ccccc3)n1)CC[NH2+]CC2 ZINC000424291408 429121889 /nfs/dbraw/zinc/12/18/89/429121889.db2.gz NUNMSSMHKPGMAH-MRXNPFEDSA-N 2 0 310.445 2.836 20 0 DFADRP COCCCCC[N@H+](Cc1nccs1)[C@@H]1CC12CC[NH2+]CC2 ZINC000435686500 429157030 /nfs/dbraw/zinc/15/70/30/429157030.db2.gz VNSXUJXHHKNMDR-OAHLLOKOSA-N 2 0 323.506 2.904 20 0 DFADRP CC(C)C[C@H](C[NH2+][C@@H]1CC[N@H+](C)C[C@H]1C)C(=O)OC(C)(C)C ZINC000424332845 429128395 /nfs/dbraw/zinc/12/83/95/429128395.db2.gz VPKNQXMLQXBMRJ-BZUAXINKSA-N 2 0 312.498 2.920 20 0 DFADRP C[C@H](c1nc(C2([NH3+])CCCCC2)no1)[C@H]([NH3+])c1ccccc1 ZINC000424336902 429128409 /nfs/dbraw/zinc/12/84/09/429128409.db2.gz JWUOSFLWBFNLRS-JSGCOSHPSA-N 2 0 300.406 2.991 20 0 DFADRP [NH3+]C[C@@H]1CCC[N@H+](Cc2ccccc2OCc2cccnc2)C1 ZINC000435368385 429132650 /nfs/dbraw/zinc/13/26/50/429132650.db2.gz HUIISVGAHGTMSF-INIZCTEOSA-N 2 0 311.429 2.831 20 0 DFADRP COCCOc1ccccc1C[N@@H+]1CC2(C[C@@H]1C)CC[NH2+]CC2 ZINC000424386116 429133754 /nfs/dbraw/zinc/13/37/54/429133754.db2.gz WWYFORCXNCTMNR-INIZCTEOSA-N 2 0 318.461 2.676 20 0 DFADRP CCN(C)c1ccc(C[N@@H+]2CC3(C[C@H]2C)CC[NH2+]CC3)cn1 ZINC000424385254 429133784 /nfs/dbraw/zinc/13/37/84/429133784.db2.gz WETQJZNYKYIXBF-OAHLLOKOSA-N 2 0 302.466 2.502 20 0 DFADRP COc1nc(C)cc(C)c1C[N@H+](C)C[C@@H]1CCc2nccn2C1 ZINC000376557939 429135205 /nfs/dbraw/zinc/13/52/05/429135205.db2.gz LSSDRMCMCQORSM-HNNXBMFYSA-N 2 0 314.433 2.598 20 0 DFADRP CC(C)c1nccn1[C@H]1CCCN([C@@H](C)c2nncn2C)C1 ZINC000376558573 429135646 /nfs/dbraw/zinc/13/56/46/429135646.db2.gz OZGCCRNNHALDFW-KBPBESRZSA-N 2 0 302.426 2.533 20 0 DFADRP CC(C)c1nccn1[C@@H]1CCCN([C@@H](C)c2nncn2C)C1 ZINC000376558575 429136666 /nfs/dbraw/zinc/13/66/66/429136666.db2.gz OZGCCRNNHALDFW-UONOGXRCSA-N 2 0 302.426 2.533 20 0 DFADRP [NH3+]C[C@H]1CC[N@H+](Cc2ccc(-n3ccc(C(F)(F)F)n3)cc2)C1 ZINC000435395739 429139231 /nfs/dbraw/zinc/13/92/31/429139231.db2.gz RKWJPQBBDDSWDC-CYBMUJFWSA-N 2 0 324.350 2.672 20 0 DFADRP [NH3+]Cc1cc(NC(=O)CC[C@@H]2CCC[NH2+]2)cc(C(F)(F)F)c1 ZINC000494670570 429139650 /nfs/dbraw/zinc/13/96/50/429139650.db2.gz ZJYYDUCAOQUVHG-LBPRGKRZSA-N 2 0 315.339 2.635 20 0 DFADRP c1csc(C[N@@H+](C[C@H]2CCCOC2)[C@@H]2CC23CC[NH2+]CC3)n1 ZINC000435425280 429140205 /nfs/dbraw/zinc/14/02/05/429140205.db2.gz CEIYIUOJNGUPBS-HUUCEWRRSA-N 2 0 321.490 2.514 20 0 DFADRP CCC[C@H](C)C[N@H+](Cc1nccn1C)[C@H]1CC12CC[NH2+]CC2 ZINC000435431427 429141087 /nfs/dbraw/zinc/14/10/87/429141087.db2.gz IMBHZUHOFABPCM-HOTGVXAUSA-N 2 0 304.482 2.800 20 0 DFADRP c1cc(C[N@@H+](C[C@@H]2CCC[NH2+]C2)[C@H]2CC23CC[NH2+]CC3)cs1 ZINC000435432393 429141842 /nfs/dbraw/zinc/14/18/42/429141842.db2.gz MYKHVPXKLQCWAM-WBVHZDCISA-N 3 0 319.518 2.692 20 0 DFADRP Cc1cc(C[NH3+])cc(NC(=O)NC[C@H](C)[N@@H+]2CCC[C@H](C)C2)c1 ZINC000424446939 429141971 /nfs/dbraw/zinc/14/19/71/429141971.db2.gz SZSHJASRFOCSFT-ZFWWWQNUSA-N 2 0 318.465 2.696 20 0 DFADRP COCCCCC[N@@H+](Cc1scnc1C)C[C@@H]1CC[NH2+]C1 ZINC000435723449 429160644 /nfs/dbraw/zinc/16/06/44/429160644.db2.gz SJXBUOGHPFIBPB-OAHLLOKOSA-N 2 0 311.495 2.680 20 0 DFADRP CC[NH+]1CCN(Cc2ccc(C[NH2+][C@@H]3C[C@H](C)[C@H]3C)cc2)CC1 ZINC000494890038 429160887 /nfs/dbraw/zinc/16/08/87/429160887.db2.gz LWPLMJIOOLQLAZ-SQGPQFPESA-N 2 0 315.505 2.958 20 0 DFADRP O=C1CC[C@H]([NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)c2cc(F)ccc2N1 ZINC000364941897 275018314 /nfs/dbraw/zinc/01/83/14/275018314.db2.gz QCCFHYCHCXCFNN-LRDDRELGSA-N 2 0 317.408 2.673 20 0 DFADRP C[C@@H]1C[C@H]([NH2+]Cc2ccccc2C[N@@H+]2CCC[C@@H]2CO)[C@H]1C ZINC000494994651 429170334 /nfs/dbraw/zinc/17/03/34/429170334.db2.gz ILZXPFHFEPKWTQ-OHQAAIJDSA-N 2 0 302.462 2.777 20 0 DFADRP C[NH2+]CCC[N@H+](C)CCCc1cc(-c2cccc(F)c2)n[nH]1 ZINC000435880317 429170513 /nfs/dbraw/zinc/17/05/13/429170513.db2.gz OGQCMXDIAZMYCD-UHFFFAOYSA-N 2 0 304.413 2.690 20 0 DFADRP O[C@@H]1c2ccccc2C[C@@H]1[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000245855586 275055281 /nfs/dbraw/zinc/05/52/81/275055281.db2.gz NLFRKBZUGZCLMC-NZSAHSFTSA-N 2 0 300.446 2.595 20 0 DFADRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+][C@@H]1CS[C@@H](C(C)(C)C)C1 ZINC000488542223 429180828 /nfs/dbraw/zinc/18/08/28/429180828.db2.gz JOTUFCAXHUXTSR-OWCLPIDISA-N 2 0 313.555 2.522 20 0 DFADRP COCCC[NH+]1CCC([NH2+]Cc2cc3c(cccc3F)[nH]2)CC1 ZINC000436250560 429191999 /nfs/dbraw/zinc/19/19/99/429191999.db2.gz GZVOUIKMRPDXPY-UHFFFAOYSA-N 2 0 319.424 2.898 20 0 DFADRP Cc1cc(N2CCC([N@@H+](C)C[C@@H]3CC[C@@H](C)O3)CC2)nc(C)n1 ZINC000364488290 429212270 /nfs/dbraw/zinc/21/22/70/429212270.db2.gz AXZVNYYOSPULBV-PBHICJAKSA-N 2 0 318.465 2.562 20 0 DFADRP CC1(C[NH+]2CCOCC2)CC[NH+](Cc2cc(F)cc(F)c2)CC1 ZINC000364608553 429232917 /nfs/dbraw/zinc/23/29/17/429232917.db2.gz SVWGAJTXOURPOJ-UHFFFAOYSA-N 2 0 324.415 2.899 20 0 DFADRP C[N@@H+]1CCN(CC[NH2+][C@@H]2CCCc3ccc(F)cc32)CC1(C)C ZINC000442881349 429239624 /nfs/dbraw/zinc/23/96/24/429239624.db2.gz ZFVZOWRBLBOZOX-GOSISDBHSA-N 2 0 319.468 2.819 20 0 DFADRP [NH3+]CC[C@H]1CCC[N@H+](Cc2c[nH]nc2-c2ccc(F)cc2)C1 ZINC000442929532 429240642 /nfs/dbraw/zinc/24/06/42/429240642.db2.gz RLWLRFNBDWSKQX-CYBMUJFWSA-N 2 0 302.397 2.777 20 0 DFADRP CCCCc1noc([C@H](C)[N@H+](C)C[C@@H]2CCc3nccn3C2)n1 ZINC000364705445 429253018 /nfs/dbraw/zinc/25/30/18/429253018.db2.gz IAVZEPUFCVKYNO-KBPBESRZSA-N 2 0 317.437 2.864 20 0 DFADRP C[NH+]1CCC(C)(C[NH2+]Cc2cnc(C(F)(F)F)s2)CC1 ZINC000443997247 429262456 /nfs/dbraw/zinc/26/24/56/429262456.db2.gz MBOQIWAVSKXRJO-UHFFFAOYSA-N 2 0 307.385 2.983 20 0 DFADRP C[C@H]1CCC[N@@H+]1C1CC[NH+](CC2CCC3(CC2)OCCO3)CC1 ZINC000365208323 429278832 /nfs/dbraw/zinc/27/88/32/429278832.db2.gz VTVHWMLVUHWALH-INIZCTEOSA-N 2 0 322.493 2.868 20 0 DFADRP COCC[N@H+](C)CCC[NH2+][C@@H](C)Cc1coc2ccccc12 ZINC000449074038 429326132 /nfs/dbraw/zinc/32/61/32/429326132.db2.gz BDYFLOKEQWWYLW-HNNXBMFYSA-N 2 0 304.434 2.922 20 0 DFADRP C[C@H](Cc1coc2ccccc12)[NH2+]C[C@@H](O)C[NH+]1CCCCC1 ZINC000449089953 429328671 /nfs/dbraw/zinc/32/86/71/429328671.db2.gz FOWRSGGUCJJABK-NVXWUHKLSA-N 2 0 316.445 2.800 20 0 DFADRP C[C@H]1C[NH+](CCCC[NH2+]Cc2cc3cccnc3o2)C[C@H](C)O1 ZINC000449104289 429332786 /nfs/dbraw/zinc/33/27/86/429332786.db2.gz UTCAFLXZNCQKKO-GJZGRUSLSA-N 2 0 317.433 2.807 20 0 DFADRP CC(C)CC[C@@H]1CC[C@H]([NH2+]CCC[N@@H+]2CCC[C@H](C(N)=O)C2)C1 ZINC000449134707 429339805 /nfs/dbraw/zinc/33/98/05/429339805.db2.gz KXEDNDZUIGGTJG-SQNIBIBYSA-N 2 0 323.525 2.768 20 0 DFADRP CCC[NH2+][C@H](C)C(=O)NC[C@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000449134204 429339923 /nfs/dbraw/zinc/33/99/23/429339923.db2.gz HNEYPLULCVCSIP-FMKPAKJESA-N 2 0 323.506 2.635 20 0 DFADRP C[C@@H](Cc1ccoc1)[NH2+]CCc1ccc(OCC[NH+](C)C)cc1 ZINC000449130211 429340186 /nfs/dbraw/zinc/34/01/86/429340186.db2.gz YAFHLHYHILMVGE-INIZCTEOSA-N 2 0 316.445 2.983 20 0 DFADRP FC(F)Oc1ccc(C[NH2+]C[C@@H]2CCn3ccnc3C2)cc1 ZINC000365554411 429340906 /nfs/dbraw/zinc/34/09/06/429340906.db2.gz KWIAXECISMWDAU-CYBMUJFWSA-N 2 0 307.344 2.837 20 0 DFADRP CC[NH+](CC)[C@@H](CNC(=O)[C@@H]([NH3+])c1ccccc1C)CC(C)C ZINC000449150097 429343198 /nfs/dbraw/zinc/34/31/98/429343198.db2.gz QCEMUKWLHPSUDN-AEFFLSMTSA-N 2 0 319.493 2.868 20 0 DFADRP COC(=O)[C@@H](CC[N@H+](C)C[C@H]1CCC[NH+](C)C1)c1ccccc1 ZINC000425424212 429294271 /nfs/dbraw/zinc/29/42/71/429294271.db2.gz VZWUYMMOSBAECN-WMZOPIPTSA-N 2 0 318.461 2.607 20 0 DFADRP CC(C)(C)[NH+]1CCC([NH2+]C[C@H](O)Cc2cccc(F)c2)CC1 ZINC000449361553 429397131 /nfs/dbraw/zinc/39/71/31/429397131.db2.gz KYNAUSSYRSUDTC-QGZVFWFLSA-N 2 0 308.441 2.582 20 0 DFADRP CCCC[N@H+](C)C[C@H](C)NC(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC000426494048 429398350 /nfs/dbraw/zinc/39/83/50/429398350.db2.gz BAFYVEXLRMXTPL-IRXDYDNUSA-N 2 0 311.514 2.734 20 0 DFADRP c1ccc(C[N@H+]2C[C@@H]3CC[C@@H]([NH2+]CC4=CCOCC4)[C@@H]3C2)cc1 ZINC000449402733 429406855 /nfs/dbraw/zinc/40/68/55/429406855.db2.gz NDBMAXUSWHFTHN-XUVXKRRUSA-N 2 0 312.457 2.833 20 0 DFADRP COCC(C)(C)CCC[NH2+]Cc1cc(C2CC[NH2+]CC2)no1 ZINC000425896387 429350627 /nfs/dbraw/zinc/35/06/27/429350627.db2.gz OVIAKGFOISQACB-UHFFFAOYSA-N 2 0 309.454 2.684 20 0 DFADRP O=C(NC[C@H]1CCC[N@@H+]1C1CCCCC1)C12CCC[NH+]1CCC2 ZINC000365613166 429350723 /nfs/dbraw/zinc/35/07/23/429350723.db2.gz AMUARHWYHRNOOV-QGZVFWFLSA-N 2 0 319.493 2.528 20 0 DFADRP CCOC(=O)c1cc(C[NH2+]C2CCC(C[NH+](C)C)CC2)[nH]c1C ZINC000449215589 429360365 /nfs/dbraw/zinc/36/03/65/429360365.db2.gz ZYEPHCJKOQCJEJ-UHFFFAOYSA-N 2 0 321.465 2.710 20 0 DFADRP CC(C)c1nnc(CC[NH2+][C@@H]2CC[N@H+](C)[C@H]3CCC[C@H]32)s1 ZINC000426290607 429380193 /nfs/dbraw/zinc/38/01/93/429380193.db2.gz PSDCDAOKWFWRCN-MJBXVCDLSA-N 2 0 308.495 2.666 20 0 DFADRP C[NH+](C)Cc1ccc(NC(=O)[C@H]2C[C@H]3CCCC[N@@H+]3C2)cc1 ZINC000365841513 429384426 /nfs/dbraw/zinc/38/44/26/429384426.db2.gz PKDMLCBWRNWEIT-DOTOQJQBSA-N 2 0 301.434 2.561 20 0 DFADRP CC(C)(C[NH+]1CCCC1)NC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000457050453 429386354 /nfs/dbraw/zinc/38/63/54/429386354.db2.gz LPVFSVSLCILCKZ-MRXNPFEDSA-N 2 0 321.509 2.632 20 0 DFADRP CC(C)[NH+]1CCC(N(C)Cc2ccc3c(c2)C[NH2+]CC3)CC1 ZINC000517575556 429389172 /nfs/dbraw/zinc/38/91/72/429389172.db2.gz DKTCKIWREXREAE-UHFFFAOYSA-N 2 0 301.478 2.637 20 0 DFADRP C[C@H](CC(=O)Nc1cccc(F)c1)[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000366259234 429442963 /nfs/dbraw/zinc/44/29/63/429442963.db2.gz NCZXLYZLPXPVDN-XOKHGSTOSA-N 2 0 319.424 2.759 20 0 DFADRP C[NH+](C)CC1(C(=O)NC[C@@H]2CCCC[N@@H+]2C2CC2)CCCCC1 ZINC000427444722 429450916 /nfs/dbraw/zinc/45/09/16/429450916.db2.gz SZUNPGBSPPDHPZ-KRWDZBQOSA-N 2 0 321.509 2.632 20 0 DFADRP C[NH+](C)CC1(C(=O)NC[C@H]2CCCC[N@@H+]2C2CC2)CCCCC1 ZINC000427444723 429451015 /nfs/dbraw/zinc/45/10/15/429451015.db2.gz SZUNPGBSPPDHPZ-QGZVFWFLSA-N 2 0 321.509 2.632 20 0 DFADRP OCC1(CC[NH2+][C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]23)CC1 ZINC000449580193 429453129 /nfs/dbraw/zinc/45/31/29/429453129.db2.gz NVOMDNPSLKPMAP-GUDVDZBRSA-N 2 0 314.473 2.649 20 0 DFADRP OCC1(CC[NH2+][C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]23)CC1 ZINC000449580191 429453915 /nfs/dbraw/zinc/45/39/15/429453915.db2.gz NVOMDNPSLKPMAP-CEXWTWQISA-N 2 0 314.473 2.649 20 0 DFADRP OCC1(CC[NH2+][C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)CC1 ZINC000449580194 429454600 /nfs/dbraw/zinc/45/46/00/429454600.db2.gz NVOMDNPSLKPMAP-IPMKNSEASA-N 2 0 314.473 2.649 20 0 DFADRP CCC1(C[NH2+][C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]23)COC1 ZINC000449601384 429459081 /nfs/dbraw/zinc/45/90/81/429459081.db2.gz RJJIUQGBXYKEEO-CEXWTWQISA-N 2 0 314.473 2.913 20 0 DFADRP Cc1noc(C2CCC([NH2+]C[C@@H](C)C[NH+]3CCCC3)CC2)n1 ZINC000366478729 429460312 /nfs/dbraw/zinc/46/03/12/429460312.db2.gz VHJSDYASLNUGEL-IUDNXUCKSA-N 2 0 306.454 2.726 20 0 DFADRP CSc1ccc([C@H](C[NH2+][C@H]2CCC[C@H]([NH3+])C2)N(C)C)cc1 ZINC000518397094 429420654 /nfs/dbraw/zinc/42/06/54/429420654.db2.gz OOABECQTIFVHJK-ZOBUZTSGSA-N 2 0 307.507 2.871 20 0 DFADRP CO[C@@H]1COCC[C@@H]1C[NH2+]C1CC[NH+]([C@@H]2CCCC[C@H]2C)CC1 ZINC000449449899 429420766 /nfs/dbraw/zinc/42/07/66/429420766.db2.gz AERJTXJTYRWQJX-PSBWJHGTSA-N 2 0 324.509 2.671 20 0 DFADRP CC(C)c1ccc([C@@H]([NH3+])CNC(=O)[C@H](C(C)C)[NH+](C)C)cc1 ZINC000151944071 275746239 /nfs/dbraw/zinc/74/62/39/275746239.db2.gz NETFAILIECMIIS-IRXDYDNUSA-N 2 0 305.466 2.512 20 0 DFADRP C[C@@H]1CCC[C@H]([NH+]2CCC([NH2+][C@H]3CCn4ccnc4C3)CC2)C1 ZINC000427873922 429476048 /nfs/dbraw/zinc/47/60/48/429476048.db2.gz LZGMSKFDTNXACO-NJAFHUGGSA-N 2 0 316.493 2.831 20 0 DFADRP C[N@@H+]1CCN(CCC[NH2+]CC2(C)CC2)[C@H](c2ccccc2)C1 ZINC000519798307 429488582 /nfs/dbraw/zinc/48/85/82/429488582.db2.gz QDBYUNBBBGMFKF-SFHVURJKSA-N 2 0 301.478 2.755 20 0 DFADRP CC[N@H+](C)C[C@H](O)C[NH2+][C@@H]1CCCC[C@@H]1Cc1ccccc1 ZINC000519803621 429490226 /nfs/dbraw/zinc/49/02/26/429490226.db2.gz SQEKWTWFHNPXKJ-GUDVDZBRSA-N 2 0 304.478 2.690 20 0 DFADRP C[C@@H](c1ccccc1)[C@H](O)C[NH2+]CC(C)(C)C[NH+]1CCCC1 ZINC000519817656 429492021 /nfs/dbraw/zinc/49/20/21/429492021.db2.gz GXLGGIHKTPDAAQ-FUHWJXTLSA-N 2 0 304.478 2.863 20 0 DFADRP COC[C@@H]([NH2+]C1CC[NH+](C2CCCCC2)CC1)[C@H]1CCCO1 ZINC000366728054 429500827 /nfs/dbraw/zinc/50/08/27/429500827.db2.gz GWUWANAGYBCREC-QZTJIDSGSA-N 2 0 310.482 2.567 20 0 DFADRP CCCC[N@H+](C)C[C@@H](C)NC(=O)CC[NH+](C)C1CCCCC1 ZINC000520482291 429517272 /nfs/dbraw/zinc/51/72/72/429517272.db2.gz NUUMXUKQCLRJGL-MRXNPFEDSA-N 2 0 311.514 2.878 20 0 DFADRP CCN(CC)C(=[NH2+])NC[C@]1(C)CC[N@H+](Cc2ccccc2)C1 ZINC000366822580 429519612 /nfs/dbraw/zinc/51/96/12/429519612.db2.gz QJJNZKZFUAFVJC-SFHVURJKSA-N 2 0 302.466 2.765 20 0 DFADRP COC(=O)c1ccccc1C[N@@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000366956961 429548172 /nfs/dbraw/zinc/54/81/72/429548172.db2.gz XWJXYVKGAOGPQI-UHFFFAOYSA-N 2 0 316.445 2.781 20 0 DFADRP Cc1cc(C[NH+](C)C)cc(NC(=O)[C@@H]2C[C@@H]3CCCC[N@@H+]3C2)c1 ZINC000366977099 429550745 /nfs/dbraw/zinc/55/07/45/429550745.db2.gz LJZXIVGZBNXVGD-AEFFLSMTSA-N 2 0 315.461 2.870 20 0 DFADRP CC[NH+](CC)CCCN1CC[C@](C(=O)OC)(c2ccccc2)C1 ZINC000428807242 429554092 /nfs/dbraw/zinc/55/40/92/429554092.db2.gz QOOIJNOZYHRGDI-LJQANCHMSA-N 2 0 318.461 2.535 20 0 DFADRP COC1(C[NH2+]Cc2cccc(C[N@H+](C)C(C)C)c2)CCOCC1 ZINC000428851602 429556283 /nfs/dbraw/zinc/55/62/83/429556283.db2.gz SCZZRVUQNMVWKG-UHFFFAOYSA-N 2 0 320.477 2.812 20 0 DFADRP COC1(C[NH2+]CCCC[N@H+]2C[C@H](C)C[C@H](C)C2)CCOCC1 ZINC000428890708 429559646 /nfs/dbraw/zinc/55/96/46/429559646.db2.gz VNPVRILWUNWVKA-CALCHBBNSA-N 2 0 312.498 2.530 20 0 DFADRP CC[N@@H+]1CC[C@@H](C[NH2+]Cc2ccc(C)cc2-c2cnn(C)c2)C1 ZINC000367025809 429562458 /nfs/dbraw/zinc/56/24/58/429562458.db2.gz FIZCKVBJLLMBPB-INIZCTEOSA-N 2 0 312.461 2.827 20 0 DFADRP C[NH+]1CCN(C[C@H]2CCC[N@H+](CCCC3CCCC3)C2)CC1 ZINC000367118208 429581214 /nfs/dbraw/zinc/58/12/14/429581214.db2.gz YTFJPZCTNAWRPS-IBGZPJMESA-N 2 0 307.526 2.916 20 0 DFADRP CC(C)C[C@@H](CN(C)C)[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000315870379 275900513 /nfs/dbraw/zinc/90/05/13/275900513.db2.gz NEQITTYOOSASEL-KRWDZBQOSA-N 2 0 304.482 2.616 20 0 DFADRP C[C@@H]([NH2+]C1CC1)C(=O)N1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000521252596 429545861 /nfs/dbraw/zinc/54/58/61/429545861.db2.gz KSKOELNWBDMTDK-JKSUJKDBSA-N 2 0 321.509 2.630 20 0 DFADRP CCCC[C@H]1CCC[C@H]1[NH2+]CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000492819227 429622760 /nfs/dbraw/zinc/62/27/60/429622760.db2.gz RFMIKZOVRPLEGB-MAUKXSAKSA-N 2 0 321.509 2.678 20 0 DFADRP CO[C@H](Cc1ccccc1)C[N@@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000450456406 429630729 /nfs/dbraw/zinc/63/07/29/429630729.db2.gz SRKAJSGGDRGTBA-VQTJNVASSA-N 2 0 316.489 2.908 20 0 DFADRP C[NH+](C)C1(CNC(=O)[C@H]2CCCCCC[C@H]2[NH3+])CCCCC1 ZINC000429759588 429630897 /nfs/dbraw/zinc/63/08/97/429630897.db2.gz QDAUXNBLAXRZGY-JKSUJKDBSA-N 2 0 309.498 2.665 20 0 DFADRP C[C@H](O)CC[N@@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000450456792 429631239 /nfs/dbraw/zinc/63/12/39/429631239.db2.gz UKDIUACCQOYUMG-PKOBYXMFSA-N 2 0 302.462 2.745 20 0 DFADRP CC[NH+](CC)C[C@@H]1CC[N@H+](C[C@H](O)[C@@H](C)c2ccccc2)C1 ZINC000450461208 429631658 /nfs/dbraw/zinc/63/16/58/429631658.db2.gz VDIVKOMRZKWBAL-LNLFQRSKSA-N 2 0 304.478 2.815 20 0 DFADRP CCOCC(C)(C)C[NH2+]C1CCN(Cc2ccncc2)CC1 ZINC000367369582 429633196 /nfs/dbraw/zinc/63/31/96/429633196.db2.gz FPMFAWKFTGIICC-UHFFFAOYSA-N 2 0 305.466 2.698 20 0 DFADRP c1cncc(-c2c[nH+]ccc2NC[C@H]2CCCC[N@@H+]2C2CC2)c1 ZINC000367418160 429644276 /nfs/dbraw/zinc/64/42/76/429644276.db2.gz JUTQRWMYJLXKSH-QGZVFWFLSA-N 2 0 308.429 2.994 20 0 DFADRP CCc1cc(CCC[N@@H+]2CC[C@H](C)[C@H](n3ccnc3)C2)on1 ZINC000450586186 429653400 /nfs/dbraw/zinc/65/34/00/429653400.db2.gz BJGVUVZRIUZSAT-WMLDXEAASA-N 2 0 302.422 2.949 20 0 DFADRP C[C@@H](C(=O)N[C@H](C[NH3+])C1CCCCC1)[N@H+](C)Cc1ccccc1 ZINC000429352045 429600961 /nfs/dbraw/zinc/60/09/61/429600961.db2.gz HIDBKIVRAOWQAK-MAUKXSAKSA-N 2 0 317.477 2.531 20 0 DFADRP O=C1CC[C@H]([NH2+]C2CC[NH+](C3CCCCC3)CC2)C2(CCC2)N1 ZINC000367263588 429606629 /nfs/dbraw/zinc/60/66/29/429606629.db2.gz FGIWULPQAMTNSQ-KRWDZBQOSA-N 2 0 319.493 2.574 20 0 DFADRP C[C@H](C(=O)N1CCC[NH+](C(C)(C)C)CC1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000523509864 429609186 /nfs/dbraw/zinc/60/91/86/429609186.db2.gz PUMMKAPJNRHCHM-OWCLPIDISA-N 2 0 309.498 2.581 20 0 DFADRP COc1ccc(CN2CC[C@@]3(CC[N@H+](C)C3)C2)c(C)c1OC ZINC000430140241 429656995 /nfs/dbraw/zinc/65/69/95/429656995.db2.gz STTNSNICECLRGU-GOSISDBHSA-N 2 0 304.434 2.540 20 0 DFADRP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@@H+]2C[C@@H]1CCC(F)(F)C1 ZINC000450600354 429658493 /nfs/dbraw/zinc/65/84/93/429658493.db2.gz NLLIBECSKFREPT-TUVASFSCSA-N 2 0 302.409 2.605 20 0 DFADRP C[N@H+](CCc1cscn1)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000450635318 429666789 /nfs/dbraw/zinc/66/67/89/429666789.db2.gz AWOHYVWUCMQHHD-UHFFFAOYSA-N 2 0 316.474 2.929 20 0 DFADRP CCC(=O)CCC[N@H+](C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000450642388 429667932 /nfs/dbraw/zinc/66/79/32/429667932.db2.gz PAZOVBUXSRVNNN-UHFFFAOYSA-N 2 0 303.450 2.989 20 0 DFADRP C[C@@H]1CCN(Cc2nnc(C3CC3)s2)C[C@H]1n1ccnc1 ZINC000450589365 429654290 /nfs/dbraw/zinc/65/42/90/429654290.db2.gz HCQBLCWRMMDYAU-DGCLKSJQSA-N 2 0 303.435 2.695 20 0 DFADRP CC(C)c1ccc([C@@H](C)[N@@H+]2CC[C@H](N3CC[NH2+]CC3)C2)cc1 ZINC000262521105 276055888 /nfs/dbraw/zinc/05/58/88/276055888.db2.gz OCCDEMZEOFHLQL-APWZRJJASA-N 2 0 301.478 2.851 20 0 DFADRP C[C@H](c1ccccc1)[C@H](O)C[NH+]1CCC2(CCC[N@@H+]2C)CC1 ZINC000450650001 429669970 /nfs/dbraw/zinc/66/99/70/429669970.db2.gz YHSAHRZNBGQGKZ-SJLPKXTDSA-N 2 0 302.462 2.711 20 0 DFADRP CC[NH+](CC)C[C@H]1CC[N@H+](CCc2nc3ccccc3n2C)C1 ZINC000266642829 276109620 /nfs/dbraw/zinc/10/96/20/276109620.db2.gz VAOHKPXXQFTTOM-MRXNPFEDSA-N 2 0 314.477 2.780 20 0 DFADRP CC[NH+](CC)[C@@H](C)CNCc1nc2c(s1)C[N@@H+](C(C)C)CC2 ZINC000355282933 276112734 /nfs/dbraw/zinc/11/27/34/276112734.db2.gz BDHBSQWXWZBIAK-AWEZNQCLSA-N 2 0 324.538 2.730 20 0 DFADRP CC[NH+]1CCN(CCC[NH2+][C@@H]2CCCc3sccc32)CC1 ZINC000154300358 276195079 /nfs/dbraw/zinc/19/50/79/276195079.db2.gz PTZZTUMEWSPBRV-MRXNPFEDSA-N 2 0 307.507 2.743 20 0 DFADRP C[N@@H+]1CC[C@H]([NH2+]CC[C@](C)(O)c2ccccc2)[C@@H]2CCC[C@H]21 ZINC000367631757 429689060 /nfs/dbraw/zinc/68/90/60/429689060.db2.gz FFGGLTNRHMOZBQ-OKYOBFRVSA-N 2 0 302.462 2.747 20 0 DFADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@@H]2COC3(CCC(C)CC3)O2)[C@H](C)C1 ZINC000133266347 276229409 /nfs/dbraw/zinc/22/94/09/276229409.db2.gz HIYPJTFJUOXKLO-MFJUZZNBSA-N 2 0 310.482 2.628 20 0 DFADRP CC(=O)Nc1cccc(C[NH2+][C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@H]32)c1 ZINC000367621290 429686716 /nfs/dbraw/zinc/68/67/16/429686716.db2.gz ZVOCVNKCODMVOI-RCCFBDPRSA-N 2 0 301.434 2.607 20 0 DFADRP CC(C)([NH3+])c1noc(C[N@@H+]2CCC[C@H]2CCc2ccccc2)n1 ZINC000430593056 429699668 /nfs/dbraw/zinc/69/96/68/429699668.db2.gz RYFUCIOTMVKJKY-HNNXBMFYSA-N 2 0 314.433 2.861 20 0 DFADRP CCOCCC[N@@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000309976970 276316549 /nfs/dbraw/zinc/31/65/49/276316549.db2.gz RSWDUODKDQZZRE-OALUTQOASA-N 2 0 302.462 2.867 20 0 DFADRP CC[NH+](CC)CCNC(=O)[C@H](c1ccccc1)[NH+](CC)CC ZINC000354264743 276327276 /nfs/dbraw/zinc/32/72/76/276327276.db2.gz GWKLPQSQKLMAJZ-KRWDZBQOSA-N 2 0 305.466 2.528 20 0 DFADRP CC[NH2+]CC1CC[NH+]([C@H](C)C(=O)N[C@@H]2CCC[C@@H](C)[C@@H]2C)CC1 ZINC000430570587 429693165 /nfs/dbraw/zinc/69/31/65/429693165.db2.gz ZDTYMTORZMQAMM-KYHPRHEASA-N 2 0 323.525 2.637 20 0 DFADRP CC[NH+](CC)[C@@H](CN[C@H]1CC[N@H+](CC)C[C@H]1C)c1ccco1 ZINC000119081492 276336798 /nfs/dbraw/zinc/33/67/98/276336798.db2.gz HKJAGIGKZUXYTG-IKGGRYGDSA-N 2 0 307.482 2.982 20 0 DFADRP CC(C)[C@H]([NH3+])CC[N@H+](C)CCc1nc(-c2ccccc2)no1 ZINC000430594311 429698254 /nfs/dbraw/zinc/69/82/54/429698254.db2.gz VGRKQSXNCTYQPY-OAHLLOKOSA-N 2 0 302.422 2.584 20 0 DFADRP C[C@@H]1CN(c2ncnc3[nH]ccc32)CC[N@H+](Cc2ccccc2)C1 ZINC000450813420 429704751 /nfs/dbraw/zinc/70/47/51/429704751.db2.gz SHZQLHPFPIFSLV-HNNXBMFYSA-N 2 0 321.428 2.916 20 0 DFADRP [NH3+]CC1CC[NH+](CCC(=O)Nc2cccc3ccccc32)CC1 ZINC000430637021 429705797 /nfs/dbraw/zinc/70/57/97/429705797.db2.gz AJHLMDMGRARJMN-UHFFFAOYSA-N 2 0 311.429 2.839 20 0 DFADRP CC[N@H+](C)[C@H](C(=O)NC[C@@H]1[NH2+]CCCC1(C)C)c1ccccc1 ZINC000430731249 429714638 /nfs/dbraw/zinc/71/46/38/429714638.db2.gz LFYVXNCJLAYHPY-IRXDYDNUSA-N 2 0 317.477 2.574 20 0 DFADRP CC(C)n1ccnc1CN1CCC[N@H+](CC[C@@H]2CCCO2)CC1 ZINC000527047557 429718351 /nfs/dbraw/zinc/71/83/51/429718351.db2.gz SOJLAKXELMPJCM-KRWDZBQOSA-N 2 0 320.481 2.541 20 0 DFADRP C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)[C@H]1CCCCCC[C@H]1[NH3+] ZINC000430889154 429721257 /nfs/dbraw/zinc/72/12/57/429721257.db2.gz LWPMBNFJPDPWQC-VVLHAWIVSA-N 2 0 309.498 2.663 20 0 DFADRP CN(C(=[NH2+])NC[C@@H]1CC[N@H+](C)[C@@H]1c1cccc(Cl)c1)C1CC1 ZINC000367809450 429721618 /nfs/dbraw/zinc/72/16/18/429721618.db2.gz GHASTMSWZZFZTJ-XJKSGUPXSA-N 2 0 320.868 2.951 20 0 DFADRP CNC(=O)CC[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCCN1C(C)C ZINC000450993397 429746663 /nfs/dbraw/zinc/74/66/63/429746663.db2.gz VRQMJDFYVYWZMX-IRXDYDNUSA-N 2 0 309.498 2.630 20 0 DFADRP CCC[C@H](NC(=O)C[NH+]1CCC(C[NH2+]C)CC1)c1ccccc1 ZINC000430916171 429722492 /nfs/dbraw/zinc/72/24/92/429722492.db2.gz GNMABQYWXKHYII-SFHVURJKSA-N 2 0 317.477 2.575 20 0 DFADRP Cc1ccc(C[NH+]2CCC3(CC[NH2+]C3)CC2)c(-c2ccnn2C)c1 ZINC000430907198 429722679 /nfs/dbraw/zinc/72/26/79/429722679.db2.gz PXNOYLIPNFAHET-UHFFFAOYSA-N 2 0 324.472 2.971 20 0 DFADRP C[C@@H]1C[N@H+](Cc2ccc(OCc3cccnc3)cc2)CC[C@H]1[NH3+] ZINC000430915558 429723173 /nfs/dbraw/zinc/72/31/73/429723173.db2.gz DCGDTPHJWHOAPB-DNVCBOLYSA-N 2 0 311.429 2.830 20 0 DFADRP C[NH2+]CC1CC[NH+]([C@@H](C)C(=O)Nc2ccc(Cl)cc2)CC1 ZINC000430920223 429723317 /nfs/dbraw/zinc/72/33/17/429723317.db2.gz NVESGPVYKMKXKL-LBPRGKRZSA-N 2 0 309.841 2.598 20 0 DFADRP Clc1cc2c(c(C[NH+]3CCC4(CC[NH2+]C4)CC3)c1)OCC2 ZINC000430933746 429724405 /nfs/dbraw/zinc/72/44/05/429724405.db2.gz LXHPDSZFPHFQGB-UHFFFAOYSA-N 2 0 306.837 2.850 20 0 DFADRP C[C@@H]([NH3+])C1CC[NH+]([C@@H](C)C(=O)Nc2cccc(Cl)c2)CC1 ZINC000430933914 429725931 /nfs/dbraw/zinc/72/59/31/429725931.db2.gz MWRAIOLATLCVDT-NEPJUHHUSA-N 2 0 309.841 2.726 20 0 DFADRP C[NH2+]CC1CC[NH+](CCC(=O)Nc2ccc(Cl)cc2)CC1 ZINC000430944003 429727469 /nfs/dbraw/zinc/72/74/69/429727469.db2.gz KFGFDATYCJSQTB-UHFFFAOYSA-N 2 0 309.841 2.600 20 0 DFADRP CCc1ccc(NC(=O)[C@@H](C)[NH+]2CCC([C@@H](C)[NH3+])CC2)cc1 ZINC000430944799 429728225 /nfs/dbraw/zinc/72/82/25/429728225.db2.gz OALFVLPESIZVSQ-ZIAGYGMSSA-N 2 0 303.450 2.635 20 0 DFADRP CCN(CC)C(=O)[C@@H](c1ccccc1)[NH+]1CCC([C@H](C)[NH3+])CC1 ZINC000430952094 429729114 /nfs/dbraw/zinc/72/91/14/429729114.db2.gz XTISBFDCEULKHR-MAUKXSAKSA-N 2 0 317.477 2.655 20 0 DFADRP C[C@H](C(=O)Nc1ccc(Cl)cc1)[NH+]1CCC2(CC[NH2+]C2)CC1 ZINC000431025870 429734948 /nfs/dbraw/zinc/73/49/48/429734948.db2.gz PWDQIAOBLJNNSG-CYBMUJFWSA-N 2 0 321.852 2.743 20 0 DFADRP CCn1c2ccc(F)cc2nc1C[NH+]1CCC2(CC[NH2+]C2)CC1 ZINC000431033753 429735120 /nfs/dbraw/zinc/73/51/20/429735120.db2.gz JZDFSRUXXGAXIP-UHFFFAOYSA-N 2 0 316.424 2.771 20 0 DFADRP C[N@@H+]1CC[C@@H]2OCCN(CC34CC5CC(CC(C5)C3)C4)[C@H]2C1 ZINC000450956662 429738786 /nfs/dbraw/zinc/73/87/86/429738786.db2.gz SDKDNOOTOUUYLQ-ULJSMLAOSA-N 2 0 304.478 2.608 20 0 DFADRP Cn1cccc1C[N@@H+]1C[C@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000367958640 429752227 /nfs/dbraw/zinc/75/22/27/429752227.db2.gz FBVVSOLMXAXDBJ-MOPGFXCFSA-N 2 0 309.457 2.979 20 0 DFADRP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+]1CC[C@H](C)C[C@H]1[C@@H](C)O ZINC000527496092 429753336 /nfs/dbraw/zinc/75/33/36/429753336.db2.gz RTMQWECITUFIRJ-JOQOYGCGSA-N 2 0 314.433 2.557 20 0 DFADRP C[C@H]([NH2+]Cc1cccc(C(=O)NCC[NH+](C)C)c1)[C@@H]1CC1(C)C ZINC000486943357 429755690 /nfs/dbraw/zinc/75/56/90/429755690.db2.gz WKOXDQUVPANDTE-YOEHRIQHSA-N 2 0 317.477 2.502 20 0 DFADRP Cn1c2cc(F)ccc2nc1N1CCC[C@H]2C[N@H+](C)CC[C@@H]21 ZINC000431407127 429757949 /nfs/dbraw/zinc/75/79/49/429757949.db2.gz XMVJPPGFHXTCRP-WFASDCNBSA-N 2 0 302.397 2.633 20 0 DFADRP Cn1c2cc(F)ccc2nc1N1CCC2(CCC[N@@H+]2C)CC1 ZINC000431405331 429759138 /nfs/dbraw/zinc/75/91/38/429759138.db2.gz QOXBCOASPOOOSY-UHFFFAOYSA-N 2 0 302.397 2.777 20 0 DFADRP C[C@H](C[NH+]1CCCCCC1)NC(=O)c1ccccc1C[NH+](C)C ZINC000487056606 429762877 /nfs/dbraw/zinc/76/28/77/429762877.db2.gz DANGWJYICOUZOA-MRXNPFEDSA-N 2 0 317.477 2.743 20 0 DFADRP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@@H+]2[C@H]1CCc2ccccc21 ZINC000368017754 429766266 /nfs/dbraw/zinc/76/62/66/429766266.db2.gz IDEBVVOVFCOFQH-LULLPPNCSA-N 2 0 300.446 2.857 20 0 DFADRP CCOc1cc(CNC2CC[NH+](C3CC3)CC2)c(F)cc1OC ZINC000527632055 429769944 /nfs/dbraw/zinc/76/99/44/429769944.db2.gz FYHVTUJTIXDFGX-UHFFFAOYSA-N 2 0 322.424 2.949 20 0 DFADRP CN(C)CC[NH+]1CCC(C[NH2+]Cc2ccc3cc[nH]c3c2)CC1 ZINC000527652962 429773648 /nfs/dbraw/zinc/77/36/48/429773648.db2.gz HHJDEFFPJPFGCT-UHFFFAOYSA-N 2 0 314.477 2.531 20 0 DFADRP CC(C)OCC[NH+]1CCC(NCc2ccncc2Cl)CC1 ZINC000527669669 429776942 /nfs/dbraw/zinc/77/69/42/429776942.db2.gz KAGQGGRNQNEGPV-UHFFFAOYSA-N 2 0 311.857 2.714 20 0 DFADRP C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)CC[C@H]1CCCC[NH+]1C ZINC000431733886 429779876 /nfs/dbraw/zinc/77/98/76/429779876.db2.gz ANXGYIAZRIMCIV-XWTMOSNGSA-N 2 0 323.525 2.734 20 0 DFADRP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CN(C2CC2)C[C@H]1C ZINC000493602780 429794567 /nfs/dbraw/zinc/79/45/67/429794567.db2.gz ORTDAWFPWSOPLK-KCITZHQASA-N 2 0 307.526 2.959 20 0 DFADRP COc1ccccc1/C=C\C[NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1 ZINC000432362627 429817272 /nfs/dbraw/zinc/81/72/72/429817272.db2.gz NJCDTIQGVSEODP-OOYWPUHTSA-N 2 0 318.461 2.799 20 0 DFADRP Cc1cc(C[NH+](C)C)cc(NC(=O)[C@@H]2C[C@H]2C2CC[NH2+]CC2)c1 ZINC000368257149 429817958 /nfs/dbraw/zinc/81/79/58/429817958.db2.gz DSEMPMUNIRLOAD-ZWKOTPCHSA-N 2 0 315.461 2.631 20 0 DFADRP COc1cccc([C@H](C[NH2+]C2CC[NH+](CC3CC3)CC2)OC)c1 ZINC000527920942 429821962 /nfs/dbraw/zinc/82/19/62/429821962.db2.gz OTFBNLLNBUQYCZ-IBGZPJMESA-N 2 0 318.461 2.847 20 0 DFADRP CCO[C@@H]1C[C@H]([NH2+]CCC[N@@H+]2CCCO[C@@H](C)C2)C12CCCC2 ZINC000432413452 429822058 /nfs/dbraw/zinc/82/20/58/429822058.db2.gz MRZJJSKJIXZKPZ-OKZBNKHCSA-N 2 0 324.509 2.815 20 0 DFADRP CN(C)c1cc[nH+]cc1CNC[C@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000368281341 429824776 /nfs/dbraw/zinc/82/47/76/429824776.db2.gz BJARFKWBDHQZMR-YLJYHZDGSA-N 2 0 324.472 2.930 20 0 DFADRP C[C@@H]([NH2+]CC12CC(C1)CO2)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000527977419 429829464 /nfs/dbraw/zinc/82/94/64/429829464.db2.gz FKWPDRWLNQYBGY-ZTRSQXPZSA-N 2 0 300.446 2.666 20 0 DFADRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H]2C[C@]2(C)OC(C)C)[C@H](C)C1 ZINC000527998368 429833426 /nfs/dbraw/zinc/83/34/26/429833426.db2.gz MFGONXWPTUADEO-XDNAFOTISA-N 2 0 312.498 2.669 20 0 DFADRP C[NH+]1CCC(C[NH2+]C2CCC(O)(c3ccccc3)CC2)CC1 ZINC000368354160 429836311 /nfs/dbraw/zinc/83/63/11/429836311.db2.gz MZQFRMQYTNPXKC-UHFFFAOYSA-N 2 0 302.462 2.748 20 0 DFADRP C[C@@H](C[NH2+]C1CCC(O)(c2ccccc2)CC1)N(C)C1CC1 ZINC000368354343 429836857 /nfs/dbraw/zinc/83/68/57/429836857.db2.gz OCHIZKQQMNKZRZ-DMKPSLHHSA-N 2 0 302.462 2.889 20 0 DFADRP C[C@@H](C[NH2+][C@@H]1CCN(C2CC[NH+](C)CC2)C1)Cc1ccccc1 ZINC000368375099 429839101 /nfs/dbraw/zinc/83/91/01/429839101.db2.gz RMAIKEZGNLYQHB-IEBWSBKVSA-N 2 0 315.505 2.623 20 0 DFADRP c1ccc(C[N@H+]2CC[C@H]([NH2+]CC3COC3)[C@@H]3CCC[C@H]32)cc1 ZINC000528032312 429840759 /nfs/dbraw/zinc/84/07/59/429840759.db2.gz ZXFQHWGXTQFKAD-GBESFXJTSA-N 2 0 300.446 2.666 20 0 DFADRP c1ccc2c(c1)CC[C@@H]([NH2+]C1CC[NH+](C3CCC3)CC1)CO2 ZINC000493895319 429847532 /nfs/dbraw/zinc/84/75/32/429847532.db2.gz WIFLSYOCKWIANX-QGZVFWFLSA-N 2 0 300.446 2.987 20 0 DFADRP C[C@@H](C(=O)Nc1ccc(C[N@@H+]2CCCC[C@@H]2C)cc1)[C@H](C)[NH3+] ZINC000493991740 429852689 /nfs/dbraw/zinc/85/26/89/429852689.db2.gz IZBLLQXZLVNIBV-ZNMIVQPWSA-N 2 0 303.450 2.983 20 0 DFADRP CC1(C)C[C@H]([NH2+]CCC2(O)CCC2)CN1Cc1ccccc1 ZINC000368498794 429857439 /nfs/dbraw/zinc/85/74/39/429857439.db2.gz KPDFZIHOROCETB-KRWDZBQOSA-N 2 0 302.462 2.934 20 0 DFADRP C[C@@H](CNC(=O)C1(C[NH+](C)C)CCCCC1)[N@@H+]1CCCC[C@H]1C ZINC000494306303 429866356 /nfs/dbraw/zinc/86/63/56/429866356.db2.gz CZDNFIKWZJAPBP-SJORKVTESA-N 2 0 323.525 2.878 20 0 DFADRP CC(C)c1nn(C)c(Cl)c1C[NH2+][C@@H]1CCc2nc[nH]c2C1 ZINC000368216908 429809690 /nfs/dbraw/zinc/80/96/90/429809690.db2.gz BPCZXKVTPZLLHV-SNVBAGLBSA-N 2 0 307.829 2.567 20 0 DFADRP C[NH+]1CCC(O)(C[NH2+][C@@H]2CCc3cc(F)c(Cl)cc32)CC1 ZINC000527860532 429811750 /nfs/dbraw/zinc/81/17/50/429811750.db2.gz ALXKUNTWDYYEHR-OAHLLOKOSA-N 2 0 312.816 2.513 20 0 DFADRP C[N@H+](Cc1ccccc1)CC(C)(C)C[NH2+][C@H]1C[C@@H](O)C1(C)C ZINC000494481729 429876993 /nfs/dbraw/zinc/87/69/93/429876993.db2.gz BRMLDMLNGSGPEB-DLBZAZTESA-N 2 0 304.478 2.894 20 0 DFADRP C[C@H](C[C@H](O)c1ccccc1)[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@@H]21 ZINC000368607580 429877464 /nfs/dbraw/zinc/87/74/64/429877464.db2.gz ILKNNSIPXULXHF-SJQORLFUSA-N 2 0 302.462 2.961 20 0 DFADRP CO[C@H](Cc1ccc(F)cc1)C[NH+]1CCC(C[NH+](C)C)CC1 ZINC000528355088 429878295 /nfs/dbraw/zinc/87/82/95/429878295.db2.gz MKFQFBGNOGTYBJ-GOSISDBHSA-N 2 0 308.441 2.657 20 0 DFADRP OCc1ccc(F)c(CN2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000528421770 429887087 /nfs/dbraw/zinc/88/70/87/429887087.db2.gz BFPJLUUVKZVLAJ-BEFAXECRSA-N 2 0 318.436 2.767 20 0 DFADRP COc1cccc(C2CC[NH+](CCn3ccnc3)CC2)c1F ZINC000368788908 429894150 /nfs/dbraw/zinc/89/41/50/429894150.db2.gz AJTFTSRLZFZTCY-UHFFFAOYSA-N 2 0 303.381 2.910 20 0 DFADRP CC(C)c1nc(CN(C)C[C@H]2CCC[N@@H+]2C)c2ccccn21 ZINC000573125408 429928661 /nfs/dbraw/zinc/92/86/61/429928661.db2.gz GILNKJLBFIRRDJ-OAHLLOKOSA-N 2 0 300.450 2.984 20 0 DFADRP C[C@H]([NH2+]C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C1CCOCC1 ZINC000369140651 429915353 /nfs/dbraw/zinc/91/53/53/429915353.db2.gz UNTRUKVRQDGYGJ-WMZOPIPTSA-N 2 0 302.462 2.913 20 0 DFADRP CCC[NH+]1CCN(C2CC[NH+](Cc3ccccc3C)CC2)CC1 ZINC000369157474 429916624 /nfs/dbraw/zinc/91/66/24/429916624.db2.gz SFLXYXJLDWHXTF-UHFFFAOYSA-N 2 0 315.505 2.987 20 0 DFADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+]Cc1cnc([C@@H]2CCCO2)s1 ZINC000556952944 429924941 /nfs/dbraw/zinc/92/49/41/429924941.db2.gz ZWAJDIREAXUCMR-HPFPLBLASA-N 2 0 307.463 2.600 20 0 DFADRP FC(F)(F)[C@H]1C[C@H]([NH2+]C2CC([NH+]3CCCCC3)C2)CCO1 ZINC000368574131 429870361 /nfs/dbraw/zinc/87/03/61/429870361.db2.gz JJDVGGNKVKELHP-BLYZHGLHSA-N 2 0 306.372 2.703 20 0 DFADRP CCOCC(C)(C)C[NH2+][C@@H]1CC[N@H+](C[C@@H]2CCCO2)C[C@@H]1C ZINC000368578436 429871860 /nfs/dbraw/zinc/87/18/60/429871860.db2.gz NAKJDTGBMUCHLP-YESZJQIVSA-N 2 0 312.498 2.528 20 0 DFADRP CN(CC[N@@H+]1CC[C@@H]2C[C@@H](O)CC[C@H]2C1)Cc1ccccc1 ZINC000451704710 429875474 /nfs/dbraw/zinc/87/54/74/429875474.db2.gz XLSOJWAPKRDLRU-QYZOEREBSA-N 2 0 302.462 2.601 20 0 DFADRP C[N@H+](Cc1ccccc1)CC(C)(C)C[NH2+][C@@H]1C[C@@H](O)C1(C)C ZINC000494481731 429876199 /nfs/dbraw/zinc/87/61/99/429876199.db2.gz BRMLDMLNGSGPEB-IAGOWNOFSA-N 2 0 304.478 2.894 20 0 DFADRP C[N@@H+]1CCC[C@H]2CN(Cc3ccc(-c4cc[nH]n4)o3)CC[C@@H]21 ZINC000369484475 429955304 /nfs/dbraw/zinc/95/53/04/429955304.db2.gz NAOQWUYHIHUADR-BBRMVZONSA-N 2 0 300.406 2.586 20 0 DFADRP COc1c[nH+]ccc1N1CC[NH+](CC2Cc3ccccc3C2)CC1 ZINC000573590747 429962676 /nfs/dbraw/zinc/96/26/76/429962676.db2.gz HFDOJHQVVLHREK-UHFFFAOYSA-N 2 0 323.440 2.627 20 0 DFADRP C[NH+](C)Cc1ccc(CNC(=O)CC[C@H]2CCCC[N@@H+]2C)cc1 ZINC000558349929 429967541 /nfs/dbraw/zinc/96/75/41/429967541.db2.gz JZVBWUBFVAGTJN-GOSISDBHSA-N 2 0 317.477 2.629 20 0 DFADRP CN(CC[N@@H+]1CCC2(C1)CC[NH+](C)CC2)Cc1ccc(F)cc1 ZINC000639757958 429970150 /nfs/dbraw/zinc/97/01/50/429970150.db2.gz QEIJUIGADCXGGK-UHFFFAOYSA-N 2 0 319.468 2.675 20 0 DFADRP C[NH+]1CCC2(CC[N@H+](Cc3ccc(-n4cccn4)cc3)C2)CC1 ZINC000639757538 429970854 /nfs/dbraw/zinc/97/08/54/429970854.db2.gz HLWQJFMHRMWJTF-UHFFFAOYSA-N 2 0 310.445 2.790 20 0 DFADRP C[N@@H+]1CC[C@@]2(C1)CCC[NH+](Cc1cccc3c1CCOC3)C2 ZINC000639659839 429936900 /nfs/dbraw/zinc/93/69/00/429936900.db2.gz PRYSUUDHCAJSGC-LJQANCHMSA-N 2 0 300.446 2.677 20 0 DFADRP CC[NH+]1CCC(N2CCCN(CC(F)(F)CC)CC2)CC1 ZINC000639682488 429944862 /nfs/dbraw/zinc/94/48/62/429944862.db2.gz AKXKJALBRDOQPS-UHFFFAOYSA-N 2 0 303.441 2.524 20 0 DFADRP O=C(CN1CCCN(c2cc[nH+]cc2)CC1)c1ccccc1F ZINC000639685205 429946289 /nfs/dbraw/zinc/94/62/89/429946289.db2.gz PXXKQCOFXRTJTK-UHFFFAOYSA-N 2 0 313.376 2.616 20 0 DFADRP C[C@@H]([NH2+]CC1CC[NH2+]CC1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000573355151 429946384 /nfs/dbraw/zinc/94/63/84/429946384.db2.gz SYBLWZXSBLWDJA-CYBMUJFWSA-N 2 0 316.449 2.621 20 0 DFADRP CCO[C@H]1C[C@H]([NH2+]Cc2cc(C3CC[NH2+]CC3)no2)C12CCC2 ZINC000574312137 430032025 /nfs/dbraw/zinc/03/20/25/430032025.db2.gz NVPRSOXDTJKLSN-IRXDYDNUSA-N 2 0 319.449 2.579 20 0 DFADRP CSC[C@H](O)C[NH2+]Cc1ccccc1C[N@@H+]1CCCC[C@H]1C ZINC000574444302 430041959 /nfs/dbraw/zinc/04/19/59/430041959.db2.gz XDWJKTMMIKGKOW-CRAIPNDOSA-N 2 0 322.518 2.875 20 0 DFADRP COc1ccc(-c2cnc(C[NH+]3CCC(CC[NH3+])CC3)o2)cc1 ZINC000574458342 430043380 /nfs/dbraw/zinc/04/33/80/430043380.db2.gz DYDLDKGFHUMGLD-UHFFFAOYSA-N 2 0 315.417 2.911 20 0 DFADRP CCN(CC)C(=O)[C@@H](C)N1CCC(CC)([NH+]2CCCC2)CC1 ZINC000639988479 430046167 /nfs/dbraw/zinc/04/61/67/430046167.db2.gz SVDVQJJMTITXGI-MRXNPFEDSA-N 2 0 309.498 2.584 20 0 DFADRP CCN(CC)C(=O)[C@H](C)N1CCC(CC)([NH+]2CCCC2)CC1 ZINC000639988478 430046679 /nfs/dbraw/zinc/04/66/79/430046679.db2.gz SVDVQJJMTITXGI-INIZCTEOSA-N 2 0 309.498 2.584 20 0 DFADRP Cc1cccc(NC(=O)C[C@H](C)[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000574031716 430004557 /nfs/dbraw/zinc/00/45/57/430004557.db2.gz QQGRSINATPRQET-NBOOPKSLSA-N 2 0 315.461 2.690 20 0 DFADRP Cc1cccc(OC[C@H](O)C[NH2+]C2CC(C)(C)[NH2+]C(C)(C)C2)c1 ZINC000559582374 430009623 /nfs/dbraw/zinc/00/96/23/430009623.db2.gz VSVIGNGGOKQQAY-MRXNPFEDSA-N 2 0 320.477 2.634 20 0 DFADRP CC1(C)C[NH2+]CC[C@H](N[C@@H]2CC[NH2+][C@@H](c3ccccc3)C2)C1 ZINC000634734072 430093072 /nfs/dbraw/zinc/09/30/72/430093072.db2.gz WECLZCAXNMWFEO-FGTMMUONSA-N 3 0 301.478 2.848 20 0 DFADRP C[C@H](CC(=O)N1CCCCCC1)[NH2+][C@H]1CC[NH2+]CC(C)(C)C1 ZINC000634732495 430093452 /nfs/dbraw/zinc/09/34/52/430093452.db2.gz HRGVPLKJRSZALL-CVEARBPZSA-N 2 0 309.498 2.535 20 0 DFADRP CO[C@H](Cc1ccc(F)cc1)C[NH+]1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000530225369 430106028 /nfs/dbraw/zinc/10/60/28/430106028.db2.gz YSEDVRWLBRLAJU-PKOBYXMFSA-N 2 0 320.452 2.705 20 0 DFADRP CCC[NH+](CCC)CCCC(=O)N[C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000634761738 430106101 /nfs/dbraw/zinc/10/61/01/430106101.db2.gz IBPQXCFABLGXTP-MRXNPFEDSA-N 2 0 311.514 2.783 20 0 DFADRP CCCCN(C)C[C@@H](C)[NH2+][C@H]1C[C@H](OCC)C12CCOCC2 ZINC000562090825 430107909 /nfs/dbraw/zinc/10/79/09/430107909.db2.gz VYHNHTRAXMCMSV-IKGGRYGDSA-N 2 0 312.498 2.671 20 0 DFADRP C[C@H]([NH2+][C@@H]1CCc2nc[nH]c2C1)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000562101099 430108231 /nfs/dbraw/zinc/10/82/31/430108231.db2.gz ZGRJUBKWRAKALT-WCQYABFASA-N 2 0 324.428 2.848 20 0 DFADRP CCCCN(C)C[C@@H](C)[NH2+][C@@H]1C[C@H](OCC)C12CCOCC2 ZINC000562090827 430108399 /nfs/dbraw/zinc/10/83/99/430108399.db2.gz VYHNHTRAXMCMSV-ZACQAIPSSA-N 2 0 312.498 2.671 20 0 DFADRP COCC1([NH2+]C2CC[NH+]([C@H]3CCC[C@@H](C)C3)CC2)CCOCC1 ZINC000560556370 430055826 /nfs/dbraw/zinc/05/58/26/430055826.db2.gz DHIBDXBJIYEJMU-AEFFLSMTSA-N 2 0 324.509 2.815 20 0 DFADRP [NH3+]C[C@@H]1CCN(Cc2ccc3c(c2)C[NH2+]CC3)c2ccccc21 ZINC000634690209 430078981 /nfs/dbraw/zinc/07/89/81/430078981.db2.gz GOFHEPVFHNTSGP-KRWDZBQOSA-N 2 0 307.441 2.785 20 0 DFADRP CC1(F)CC[NH+](CCOCC[NH+]2CCC(C)(F)CC2)CC1 ZINC000640071669 430081278 /nfs/dbraw/zinc/08/12/78/430081278.db2.gz QCMNCWCBKPKIIP-UHFFFAOYSA-N 2 0 304.425 2.651 20 0 DFADRP C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)CC[N@H+](C)C1CCCCC1 ZINC000561228918 430083140 /nfs/dbraw/zinc/08/31/40/430083140.db2.gz FZLMMGJYJNYBMW-AEFFLSMTSA-N 2 0 321.509 2.726 20 0 DFADRP CC[NH+](CC)CC1CC[NH+](Cc2cncc(OC)c2C)CC1 ZINC000637905083 430167142 /nfs/dbraw/zinc/16/71/42/430167142.db2.gz HSJGTCOGKFRNER-UHFFFAOYSA-N 2 0 305.466 2.952 20 0 DFADRP C[C@@H]([NH3+])C[C@@H](C)[NH2+]CCNc1ncc(C(F)(F)F)cc1Cl ZINC000580639757 430140360 /nfs/dbraw/zinc/14/03/60/430140360.db2.gz NGONETPVCSUQMC-RKDXNWHRSA-N 2 0 324.778 2.881 20 0 DFADRP CC(C)CC[C@H]([NH3+])C(=O)NC[C@H]([NH3+])c1ccc(C(C)C)cc1 ZINC000637833306 430142423 /nfs/dbraw/zinc/14/24/23/430142423.db2.gz RMHGTBAVEGBTPG-IRXDYDNUSA-N 2 0 305.466 2.690 20 0 DFADRP O[C@@H]1CCC[C@@H]1[NH+]1CCC([NH2+]Cc2ccc3[nH]ccc3c2)CC1 ZINC000581201522 430187549 /nfs/dbraw/zinc/18/75/49/430187549.db2.gz WNHIGSNIGTUCKT-RBUKOAKNSA-N 2 0 313.445 2.635 20 0 DFADRP C[NH+]1CCC(O)(C[NH2+][C@H]2CCC(C)(C)c3ccccc32)CC1 ZINC000280950798 277032269 /nfs/dbraw/zinc/03/22/69/277032269.db2.gz UBDDJXLTRORKQB-KRWDZBQOSA-N 2 0 302.462 2.845 20 0 DFADRP C[C@H](Cc1ccsc1)[N@@H+](C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000541225180 430186648 /nfs/dbraw/zinc/18/66/48/430186648.db2.gz GSRZHJMDZCCAQL-CABCVRRESA-N 2 0 310.507 2.704 20 0 DFADRP Cc1cccc2c1ccnc2NC1CCN(CC[NH+](C)C)CC1 ZINC000581128283 430181531 /nfs/dbraw/zinc/18/15/31/430181531.db2.gz ROYQZCPLBGTXCG-UHFFFAOYSA-N 2 0 312.461 2.981 20 0 DFADRP COc1ccc(C[C@@H](C)[NH2+]CC[C@H]([NH3+])Cc2ccccc2)cn1 ZINC000635004914 430194687 /nfs/dbraw/zinc/19/46/87/430194687.db2.gz GETHSPKFSMYMPJ-QAPCUYQASA-N 2 0 313.445 2.571 20 0 DFADRP Nc1ccc(-c2cccc(C[NH2+][C@H]3CCCC[C@H]3C[NH3+])n2)cc1 ZINC000634994956 430187817 /nfs/dbraw/zinc/18/78/17/430187817.db2.gz QXZPQBCLOPEQJB-YJBOKZPZSA-N 2 0 310.445 2.938 20 0 DFADRP C[C@H]1C[N@H+](Cc2ccccc2OCc2ccccn2)C[C@@H]1C[NH3+] ZINC000634998616 430188599 /nfs/dbraw/zinc/18/85/99/430188599.db2.gz IMHRKBKFJCFKKR-RDJZCZTQSA-N 2 0 311.429 2.687 20 0 DFADRP C[NH+]1CCN(CCC[NH2+][C@H]2CCc3cc(Cl)ccc32)CC1 ZINC000129815858 277105659 /nfs/dbraw/zinc/10/56/59/277105659.db2.gz NJWBMHQFCMIZIG-KRWDZBQOSA-N 2 0 307.869 2.554 20 0 DFADRP [NH3+]C1CCC([NH2+][C@@H]2[C@@H]3Cc4c(cccc4Br)[C@@H]32)CC1 ZINC000634997766 430189107 /nfs/dbraw/zinc/18/91/07/430189107.db2.gz SEFPKPHJUFEBKO-BTFDYCFZSA-N 2 0 321.262 2.947 20 0 DFADRP C[C@@H]1C[N@H+](Cc2c[nH]nc2-c2cccc(Cl)c2)C[C@H]1C[NH3+] ZINC000634998448 430189407 /nfs/dbraw/zinc/18/94/07/430189407.db2.gz FTIYNAFLXIAPIT-DGCLKSJQSA-N 2 0 304.825 2.757 20 0 DFADRP COc1ccc(C[N@H+]2C[C@@H](C[NH3+])[C@H](C)C2)cc1OCC(C)C ZINC000634999534 430189848 /nfs/dbraw/zinc/18/98/48/430189848.db2.gz VWSJSQZXIYVQBA-GDBMZVCRSA-N 2 0 306.450 2.757 20 0 DFADRP C[C@H]1C[N@H+](Cc2ccccc2OCc2cccnc2)C[C@H]1C[NH3+] ZINC000634999057 430190414 /nfs/dbraw/zinc/19/04/14/430190414.db2.gz PGKGGIGBCUEFJI-MAUKXSAKSA-N 2 0 311.429 2.687 20 0 DFADRP C[C@@H]1C[N@H+](Cc2ccccc2OCc2cccnc2)C[C@H]1C[NH3+] ZINC000634999056 430190457 /nfs/dbraw/zinc/19/04/57/430190457.db2.gz PGKGGIGBCUEFJI-CRAIPNDOSA-N 2 0 311.429 2.687 20 0 DFADRP C[C@H](NC[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C)c1c[nH+]ccc1N ZINC000635002994 430191228 /nfs/dbraw/zinc/19/12/28/430191228.db2.gz DEMCJLXYHVSTGW-SOLBZPMBSA-N 2 0 324.472 2.913 20 0 DFADRP Brc1ccc2c(c1)C[C@@H]1[C@H]2[C@H]1[NH2+][C@H]1CCC[NH2+]CC1 ZINC000635001225 430191256 /nfs/dbraw/zinc/19/12/56/430191256.db2.gz KWTRUFALTBZFRT-UKMLZYKCSA-N 2 0 321.262 2.819 20 0 DFADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C[NH2+][C@H]1CC[NH2+]CC[C@H]1C ZINC000635003829 430191647 /nfs/dbraw/zinc/19/16/47/430191647.db2.gz LYSPIOKNCOGVFH-JYBIWHBTSA-N 3 0 315.505 2.732 20 0 DFADRP [NH3+]C[C@H]1CC[C@H]([NH2+][C@@H](c2ccc(F)cc2)c2cnccn2)CC1 ZINC000635003913 430191743 /nfs/dbraw/zinc/19/17/43/430191743.db2.gz FYPXEPWATAWRFX-OWQGQXMQSA-N 2 0 314.408 2.812 20 0 DFADRP C[C@H](C(=O)NC1CCCC1)[N@H+](C)CCCC[NH+]1CCCCC1 ZINC000640531192 430191885 /nfs/dbraw/zinc/19/18/85/430191885.db2.gz LFFVCDSDBWBCHN-MRXNPFEDSA-N 2 0 309.498 2.632 20 0 DFADRP C[C@@]1(c2ccccc2)CC[C@@H]([NH+]2CCC([NH2+]CCO)CC2)C1 ZINC000635002481 430192248 /nfs/dbraw/zinc/19/22/48/430192248.db2.gz SAONTERJWWAISE-RTBURBONSA-N 2 0 302.462 2.543 20 0 DFADRP C[C@@H]1CCCN1C(=O)CC[N@H+](C)CCCC[NH+]1CCCCC1 ZINC000640532299 430192787 /nfs/dbraw/zinc/19/27/87/430192787.db2.gz CYPRFXXNMHGSRZ-QGZVFWFLSA-N 2 0 309.498 2.585 20 0 DFADRP CO[C@@H]1[C@H](C)[C@@H]([NH2+]CC[C@@H]([NH3+])Cc2ccccc2)C12CCC2 ZINC000635007755 430193082 /nfs/dbraw/zinc/19/30/82/430193082.db2.gz PGCBFUGWLPISMX-VDHUWJSZSA-N 2 0 302.462 2.740 20 0 DFADRP CCc1cccnc1[C@H](C)Nc1cc(N2CC[NH2+]CC2)cc[nH+]1 ZINC000635007658 430193272 /nfs/dbraw/zinc/19/32/72/430193272.db2.gz FYCOPPWIOQHRFV-AWEZNQCLSA-N 2 0 311.433 2.622 20 0 DFADRP FC(F)C1CCC(Nc2cc(N3CC[NH2+]CC3)cc[nH+]2)CC1 ZINC000635008039 430193650 /nfs/dbraw/zinc/19/36/50/430193650.db2.gz HZMQQAGQKOBWGW-UHFFFAOYSA-N 2 0 310.392 2.727 20 0 DFADRP CC1(C)[C@H]([NH2+]CC[C@H]([NH3+])Cc2ccccc2)[C@H]2CCCO[C@@H]21 ZINC000635006885 430193661 /nfs/dbraw/zinc/19/36/61/430193661.db2.gz NCAXNFCYAILWTF-MLHJIOFPSA-N 2 0 302.462 2.740 20 0 DFADRP COc1cccc(C[C@H](C)[NH2+]CC[C@@H]([NH3+])Cc2ccccc2)n1 ZINC000635005349 430193853 /nfs/dbraw/zinc/19/38/53/430193853.db2.gz IFGPTTCUCFUJIH-DOTOQJQBSA-N 2 0 313.445 2.571 20 0 DFADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]C[C@@H]1CCO[C@H]1c1ccc(F)cc1 ZINC000635010742 430195178 /nfs/dbraw/zinc/19/51/78/430195178.db2.gz AWCDHULGJSWZMX-SIUPPRGNSA-N 2 0 306.425 2.881 20 0 DFADRP C[C@@H](Nc1cc(N2CC[NH2+]CC2)cc[nH+]1)c1ccccc1F ZINC000635009286 430195187 /nfs/dbraw/zinc/19/51/87/430195187.db2.gz MVQQLOONYPNFHT-CYBMUJFWSA-N 2 0 300.381 2.803 20 0 DFADRP C[C@@H]([NH2+][C@H]1CC[NH2+]CC(C)(C)C1)c1ccc2c(c1)OCCO2 ZINC000635010170 430195786 /nfs/dbraw/zinc/19/57/86/430195786.db2.gz JBFUMIFJYNFJBS-HIFRSBDPSA-N 2 0 304.434 2.887 20 0 DFADRP COCCOc1ccc([C@H](C)[NH2+][C@H]2CC[C@H](C[NH3+])CC2)cc1 ZINC000635009738 430196262 /nfs/dbraw/zinc/19/62/62/430196262.db2.gz ZCCHSZYZBCRCOF-ZOBUZTSGSA-N 2 0 306.450 2.880 20 0 DFADRP COc1cccc2c1CC[C@H]([NH2+]Cc1cccc3c1CC[NH2+]C3)C2 ZINC000635009578 430196766 /nfs/dbraw/zinc/19/67/66/430196766.db2.gz HUHHJBFSCUJWIS-SFHVURJKSA-N 2 0 322.452 2.988 20 0 DFADRP C[C@H]([NH2+][C@@H]1CC[NH2+]CC(C)(C)C1)c1ccc2c(c1)OCCO2 ZINC000635010169 430196852 /nfs/dbraw/zinc/19/68/52/430196852.db2.gz JBFUMIFJYNFJBS-DZGCQCFKSA-N 2 0 304.434 2.887 20 0 DFADRP Cc1cc([C@H](C)Nc2cc(N3CC[NH2+]CC3)cc[nH+]2)oc1C ZINC000635008989 430196904 /nfs/dbraw/zinc/19/69/04/430196904.db2.gz LOADDVIXFBDLFE-ZDUSSCGKSA-N 2 0 300.406 2.874 20 0 DFADRP C[C@H]1CCCC[N@@H+]1CCCC[NH2+]CCC(=O)Nc1cccnc1 ZINC000581305358 430197776 /nfs/dbraw/zinc/19/77/76/430197776.db2.gz FESMXAUWJPELST-INIZCTEOSA-N 2 0 318.465 2.654 20 0 DFADRP OC[C@H](C[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1)c1ccc(Cl)cc1 ZINC000635013102 430197787 /nfs/dbraw/zinc/19/77/87/430197787.db2.gz BYNROGBEUITKHM-DZOHQFGASA-N 2 0 322.880 2.926 20 0 DFADRP C[C@@H]([NH2+]Cc1cccc2c1CC[NH2+]C2)c1ccc2c(c1)OCO2 ZINC000635019549 430197859 /nfs/dbraw/zinc/19/78/59/430197859.db2.gz HWEQEYGJINKQQM-CYBMUJFWSA-N 2 0 310.397 2.912 20 0 DFADRP CC(C)(C)[C@H]([NH3+])C(=O)NC[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000164350463 277248878 /nfs/dbraw/zinc/24/88/78/277248878.db2.gz HFSHFXHYJVBMGF-IAGOWNOFSA-N 2 0 317.477 2.531 20 0 DFADRP C[C@@H](Cc1ccsc1)[N@@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000542167428 430203756 /nfs/dbraw/zinc/20/37/56/430203756.db2.gz ONECYMUCPGKFFO-RYRKJORJSA-N 2 0 321.534 2.637 20 0 DFADRP CC(C)CC[C@@H]([NH3+])C(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000638052872 430221032 /nfs/dbraw/zinc/22/10/32/430221032.db2.gz BTDXPQFKUPXNMS-GOSISDBHSA-N 2 0 317.477 2.662 20 0 DFADRP CC[NH+](CC)Cc1ccccc1CNC(=O)[C@@H]([NH3+])CCC(C)C ZINC000638055066 430222349 /nfs/dbraw/zinc/22/23/49/430222349.db2.gz RYAXEHBARLHBJG-SFHVURJKSA-N 2 0 319.493 2.908 20 0 DFADRP C[C@H]1CCCC[N@@H+]1Cc1ccc(NC(=O)CCC2C[NH2+]C2)cc1 ZINC000638064469 430223645 /nfs/dbraw/zinc/22/36/45/430223645.db2.gz UIXZIZVSTCFXPI-HNNXBMFYSA-N 2 0 315.461 2.999 20 0 DFADRP C[C@@H]1CCC[N@H+](Cc2ccc(NC(=O)C3=CC[C@H]([NH3+])C3)cc2)C1 ZINC000638063607 430224578 /nfs/dbraw/zinc/22/45/78/430224578.db2.gz NMSFKYWVWHSENP-PBHICJAKSA-N 2 0 313.445 2.905 20 0 DFADRP CCO[C@@H]1C[C@@H]1[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000565520459 430214807 /nfs/dbraw/zinc/21/48/07/430214807.db2.gz XDPQQDLVFCOBIV-QXCZDIPSSA-N 2 0 300.446 2.949 20 0 DFADRP CCO[C@@H]1C[C@H]1[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000565520461 430215088 /nfs/dbraw/zinc/21/50/88/430215088.db2.gz XDPQQDLVFCOBIV-UJWQCDCRSA-N 2 0 300.446 2.949 20 0 DFADRP C[N@@H+]1CC[C@H](CC(=O)Nc2cccc(C[NH+]3CCCCC3)c2)C1 ZINC000635266972 430243325 /nfs/dbraw/zinc/24/33/25/430243325.db2.gz HZRUDVVMEXOIHZ-QGZVFWFLSA-N 2 0 315.461 2.953 20 0 DFADRP CCN(C)c1ccc(CN2CCCC[C@@H]2[C@H]2CCC[NH2+]2)cn1 ZINC000566225478 430250254 /nfs/dbraw/zinc/25/02/54/430250254.db2.gz QBGIFVNAQOMIKK-IAGOWNOFSA-N 2 0 302.466 2.644 20 0 DFADRP C[C@@H]1CCC[N@H+](CCCCNC(=O)[C@@H]2CC[NH+]2C2CCCC2)C1 ZINC000635326074 430256193 /nfs/dbraw/zinc/25/61/93/430256193.db2.gz UFRZUOCYGXLTBQ-AEFFLSMTSA-N 2 0 321.509 2.632 20 0 DFADRP Cc1nc(C[NH3+])ccc1[C@@H](C)N[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000566408015 430258632 /nfs/dbraw/zinc/25/86/32/430258632.db2.gz XJVQUFKAJYJGJE-ZBFHGGJFSA-N 2 0 302.466 2.516 20 0 DFADRP COc1ccccc1[C@H](C[NH2+][C@@H]1CCC[C@H]([NH3+])C1)N1CCCC1 ZINC000566481869 430266181 /nfs/dbraw/zinc/26/61/81/430266181.db2.gz GXWBUSJBPBQJMJ-JZXOWHBKSA-N 2 0 317.477 2.692 20 0 DFADRP C[C@H](Cc1ccsc1)[N@@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@H]21 ZINC000544008751 430270679 /nfs/dbraw/zinc/27/06/79/430270679.db2.gz PBZHCQUDTIPNDL-MWQQHZPXSA-N 2 0 308.491 2.863 20 0 DFADRP C[C@H](c1ccccc1)N1CCN(C(=O)C[N@H+](C)C(C)(C)C)CC1 ZINC000582179651 430277008 /nfs/dbraw/zinc/27/70/08/430277008.db2.gz PNPSFACFAHQCTR-MRXNPFEDSA-N 2 0 317.477 2.622 20 0 DFADRP CC[NH2+][C@@H](C)C(=O)NCc1ccccc1C[NH+]1CCCCCC1 ZINC000638088838 430233290 /nfs/dbraw/zinc/23/32/90/430233290.db2.gz KWQVYXOVCOWSFA-INIZCTEOSA-N 2 0 317.477 2.677 20 0 DFADRP CC[N@@H+]1CC[C@H](N(C)Cc2c3c(nn2C)CCCC3)C[C@@H]1C ZINC000638109772 430236826 /nfs/dbraw/zinc/23/68/26/430236826.db2.gz GRCYYOWTQVPMBZ-GJZGRUSLSA-N 2 0 304.482 2.604 20 0 DFADRP CC[N@@H+]1CC[C@@H](N(C)Cc2c(OC)cccc2OC)[C@H](C)C1 ZINC000638110980 430238786 /nfs/dbraw/zinc/23/87/86/430238786.db2.gz ATTPQWCABCCBST-GDBMZVCRSA-N 2 0 306.450 2.866 20 0 DFADRP CC[NH2+][C@@H](C)C(=O)NCC1([NH2+][C@@H](C)c2ccccc2)CCCC1 ZINC000638110216 430239849 /nfs/dbraw/zinc/23/98/49/430239849.db2.gz CFYYJWDZEQWJGQ-HOTGVXAUSA-N 2 0 317.477 2.764 20 0 DFADRP O=C(Nc1ccc2c(c1)C[NH2+]C2)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000638257951 430286880 /nfs/dbraw/zinc/28/68/80/430286880.db2.gz DCLQMRZBBRUSJA-KRWDZBQOSA-N 2 0 321.424 2.750 20 0 DFADRP CCC[C@@H]([NH2+]CCCC[NH+]1CCN(C)CC1)c1cccnc1 ZINC000544578884 430288667 /nfs/dbraw/zinc/28/86/67/430288667.db2.gz HRXLSLNOTBVTIU-GOSISDBHSA-N 2 0 304.482 2.540 20 0 DFADRP C[NH2+]C[C@H](C)C(=O)NC[C@H](CC(C)C)[NH2+][C@@H](C)c1ccccc1 ZINC000567802257 430289662 /nfs/dbraw/zinc/28/96/62/430289662.db2.gz PVGBFTUPGUCEGV-BQFCYCMXSA-N 2 0 319.493 2.724 20 0 DFADRP CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)[C@@H]2CCCCC[NH2+]2)C1 ZINC000567985718 430301600 /nfs/dbraw/zinc/30/16/00/430301600.db2.gz NZAGQLHWUKOTGC-CVEARBPZSA-N 2 0 309.498 2.535 20 0 DFADRP [NH3+]C1(c2noc([C@@H]3C[NH2+]C[C@H]3c3ccc(Cl)cc3)n2)CCC1 ZINC000567999403 430303824 /nfs/dbraw/zinc/30/38/24/430303824.db2.gz PZYVHIWOZKKKNP-QWHCGFSZSA-N 2 0 318.808 2.532 20 0 DFADRP O=C(NCCCCC[NH+]1CCCCC1)[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000635546536 430304496 /nfs/dbraw/zinc/30/44/96/430304496.db2.gz APAAYMWYKFAOCI-SFHVURJKSA-N 2 0 321.509 2.776 20 0 DFADRP COc1cc(F)c(C[NH2+]CC[C@@H]2CCC[N@H+](C)C2)cc1OC ZINC000568034141 430308860 /nfs/dbraw/zinc/30/88/60/430308860.db2.gz JTBCFZOAZIYJMY-ZDUSSCGKSA-N 2 0 310.413 2.664 20 0 DFADRP CCC(CC)[C@H](C[NH2+][C@H](C)C[C@@H]1CCCC(=O)N1)[NH+]1CCCC1 ZINC000638349966 430311364 /nfs/dbraw/zinc/31/13/64/430311364.db2.gz XPERVCOPUGEIBC-NJAFHUGGSA-N 2 0 323.525 2.924 20 0 DFADRP C[C@@H]1CCCC[N@@H+]1CCCC[NH2+]Cc1c[nH]c2ncncc12 ZINC000638365522 430318007 /nfs/dbraw/zinc/31/80/07/430318007.db2.gz FHCTVZPCDQJZHV-CQSZACIVSA-N 2 0 301.438 2.654 20 0 DFADRP C[C@@H]1CCCC[N@@H+]1CCCC[NH2+]Cc1cc2c(cn1)OCCO2 ZINC000638365229 430318144 /nfs/dbraw/zinc/31/81/44/430318144.db2.gz CRVRLUFNOJMYCY-OAHLLOKOSA-N 2 0 319.449 2.597 20 0 DFADRP CCO[C@@H]1C[C@@H]([NH2+]CCCC[N@@H+]2CCC[C@@H](C)C2)[C@]12CCCO2 ZINC000638366292 430318263 /nfs/dbraw/zinc/31/82/63/430318263.db2.gz MZBYCPBDSBNWQG-NCXUSEDFSA-N 2 0 324.509 2.815 20 0 DFADRP CCO[C@@H]1C[C@H]([NH2+]CCCC[N@@H+]2CCCC[C@@H]2C)[C@]12CCCO2 ZINC000638365457 430318291 /nfs/dbraw/zinc/31/82/91/430318291.db2.gz DGBPGHOIYXVYJH-INDMIFKZSA-N 2 0 324.509 2.957 20 0 DFADRP C[C@H]1CCCC[N@@H+]1CCCC[NH2+]Cc1cc2c(cn1)OCCO2 ZINC000638365228 430318774 /nfs/dbraw/zinc/31/87/74/430318774.db2.gz CRVRLUFNOJMYCY-HNNXBMFYSA-N 2 0 319.449 2.597 20 0 DFADRP CC[N@@H+]1CC[C@H](N(C)C(=O)[C@@H](CC(C)C)n2ccnc2)[C@@H](C)C1 ZINC000635603099 430321283 /nfs/dbraw/zinc/32/12/83/430321283.db2.gz LXOZJCIIOYURCL-YESZJQIVSA-N 2 0 320.481 2.659 20 0 DFADRP C[C@@H]1CCCC[N@@H+]1CCC1CCN(C(=O)C2=CC[C@H]([NH3+])C2)CC1 ZINC000638378958 430323211 /nfs/dbraw/zinc/32/32/11/430323211.db2.gz UJFWXXRYEBYMJU-QAPCUYQASA-N 2 0 319.493 2.537 20 0 DFADRP CC[NH+](CC)Cc1cccc(C[NH2+]CCCc2cnn(C)c2)c1 ZINC000638381819 430325366 /nfs/dbraw/zinc/32/53/66/430325366.db2.gz OTMBSTXMFZFQAP-UHFFFAOYSA-N 2 0 314.477 2.984 20 0 DFADRP COc1cccc([C@@H](C)[NH2+]C2CC[NH+](CC(C)(C)O)CC2)c1 ZINC000638394000 430328971 /nfs/dbraw/zinc/32/89/71/430328971.db2.gz PBCSVGFJXODKMU-CQSZACIVSA-N 2 0 306.450 2.581 20 0 DFADRP CC(C)(C)O[C@@H]1C[C@H]([NH2+]C[C@@H](O)C[NH+]2CCCCC2)C12CCC2 ZINC000638412355 430334490 /nfs/dbraw/zinc/33/44/90/430334490.db2.gz OETNEUMMQIKPJH-IXDOHACOSA-N 2 0 324.509 2.549 20 0 DFADRP CCN1CC[NH+](CCCC[NH2+]Cc2ccc3[nH]ccc3c2)CC1 ZINC000568236441 430336778 /nfs/dbraw/zinc/33/67/78/430336778.db2.gz KKFABNDRWMCZMZ-UHFFFAOYSA-N 2 0 314.477 2.675 20 0 DFADRP CC[NH+](CC)[C@H](C(=O)NCCC[NH2+]C(C)C)c1ccccc1 ZINC000582963599 430351536 /nfs/dbraw/zinc/35/15/36/430351536.db2.gz XCJNOEAUGJIUDY-KRWDZBQOSA-N 2 0 305.466 2.574 20 0 DFADRP OC1CC[NH+](Cc2ccccc2C[NH2+]C[C@@H]2C[C@H]3C[C@H]3C2)CC1 ZINC000638720601 430416137 /nfs/dbraw/zinc/41/61/37/430416137.db2.gz SZSPLOLGVLJAQY-IDHPPYADSA-N 2 0 314.473 2.779 20 0 DFADRP c1[nH]c2ncncc2c1C[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000638719053 430416348 /nfs/dbraw/zinc/41/63/48/430416348.db2.gz BAIKHKGOMPXVKY-UHFFFAOYSA-N 2 0 313.449 2.796 20 0 DFADRP CCC[N@H+](C)C[C@H]1CCN(C(=O)CC[NH+](C)C2CCCCC2)C1 ZINC000547733019 430416476 /nfs/dbraw/zinc/41/64/76/430416476.db2.gz KFQXNSWUVACRQX-QGZVFWFLSA-N 2 0 323.525 2.831 20 0 DFADRP COCCC[NH+]1CCC([NH2+]C[C@@H]2CCc3ccccc3C2)CC1 ZINC000638481381 430352916 /nfs/dbraw/zinc/35/29/16/430352916.db2.gz HVUCRVYKKDJKBL-QGZVFWFLSA-N 2 0 316.489 2.882 20 0 DFADRP COCCC[NH+]1CCC([NH2+]C[C@H]2CCc3ccccc3C2)CC1 ZINC000638481380 430353994 /nfs/dbraw/zinc/35/39/94/430353994.db2.gz HVUCRVYKKDJKBL-KRWDZBQOSA-N 2 0 316.489 2.882 20 0 DFADRP Cc1ccc(NC(=O)[C@@H](C)[NH+]2CCC(CC[NH3+])CC2)cc1C ZINC000583030829 430357609 /nfs/dbraw/zinc/35/76/09/430357609.db2.gz UCKSQNGXLJFVJO-OAHLLOKOSA-N 2 0 303.450 2.691 20 0 DFADRP c1cnn(C2CC([NH2+]C[C@H]3CC[N@@H+](CCc4ccccc4)C3)C2)c1 ZINC000638521781 430366994 /nfs/dbraw/zinc/36/69/94/430366994.db2.gz OUNKBOQUFJWJII-XEVCZEQESA-N 2 0 324.472 2.741 20 0 DFADRP c1[nH]c2ncncc2c1C[NH2+]CCCCC[NH+]1CCCCC1 ZINC000638527988 430368474 /nfs/dbraw/zinc/36/84/74/430368474.db2.gz UZKWUVKWPVCGJQ-UHFFFAOYSA-N 2 0 301.438 2.655 20 0 DFADRP O=C(Nc1ccccc1-n1ccnc1)[C@@H](C1CC1)[NH+]1CCCC1 ZINC000546788234 430370011 /nfs/dbraw/zinc/37/00/11/430370011.db2.gz SKWIHKGSKSRKAU-QGZVFWFLSA-N 2 0 310.401 2.685 20 0 DFADRP Cc1ccc2c(c1)[C@@H]([NH2+]C1CC[NH+](CC(C)(C)O)CC1)CC2 ZINC000638543059 430371348 /nfs/dbraw/zinc/37/13/48/430371348.db2.gz COMZCKNEMGNRRZ-SFHVURJKSA-N 2 0 302.462 2.807 20 0 DFADRP Cc1cccc(NC(=O)C[C@@H](C)[N@@H+]2C[C@@H](C)[C@](C)(C[NH3+])C2)c1 ZINC000568617992 430376284 /nfs/dbraw/zinc/37/62/84/430376284.db2.gz KLEDQRUPBVQDLI-IIDMSEBBSA-N 2 0 303.450 2.629 20 0 DFADRP CC1=C(C)C[C@H]([C@H](C)[NH2+]CCC[N@@H+]2CCC[C@H](C(N)=O)C2)CC1 ZINC000638570793 430378512 /nfs/dbraw/zinc/37/85/12/430378512.db2.gz HRVBDHCFBUMRTK-KSZLIROESA-N 2 0 321.509 2.688 20 0 DFADRP C[C@@H](C[NH2+]C1CC[NH+](CC(C)(C)O)CC1)c1ccc(F)cc1 ZINC000638564936 430378528 /nfs/dbraw/zinc/37/85/28/430378528.db2.gz OYFWXDLEEBVLHD-AWEZNQCLSA-N 2 0 308.441 2.754 20 0 DFADRP C[C@H]([NH2+][C@@H]1CCN(C2CC[NH+](C)CC2)C1)[C@H]1CC2CCC1CC2 ZINC000638587430 430382194 /nfs/dbraw/zinc/38/21/94/430382194.db2.gz CMIUJHUIXROJNK-MXUDFOLISA-N 2 0 319.537 2.959 20 0 DFADRP C[C@H](CNC(=O)CC[C@H]([NH3+])c1ccccc1)[N@@H+]1CCC[C@@H](C)C1 ZINC000568756388 430389363 /nfs/dbraw/zinc/38/93/63/430389363.db2.gz GMLJFRIBGDRPLY-NUJGCVRESA-N 2 0 317.477 2.703 20 0 DFADRP C[C@H](C[C@H]1CCCC(=O)N1)[NH2+]C[C@@H](C)N(C)Cc1ccccc1 ZINC000638618006 430390104 /nfs/dbraw/zinc/39/01/04/430390104.db2.gz LCBYFEBJOGBBRN-JFIYKMOQSA-N 2 0 317.477 2.544 20 0 DFADRP CN(C[C@H]1CCC[N@H+](C)C1)C(=O)C(C)(C)[C@@H]([NH3+])c1ccccc1 ZINC000568766798 430390976 /nfs/dbraw/zinc/39/09/76/430390976.db2.gz MVNPIRLRJVEFHF-RDJZCZTQSA-N 2 0 317.477 2.513 20 0 DFADRP CC(C)(O)C[NH+]1CCC([NH2+][C@@H](Cc2ccccc2)C2CC2)CC1 ZINC000638627855 430391823 /nfs/dbraw/zinc/39/18/23/430391823.db2.gz NCXYWGGPXIZYGR-IBGZPJMESA-N 2 0 316.489 2.833 20 0 DFADRP OC[C@@H]1CCC[N@@H+]1CCCC[NH2+]C[C@@H]1CCc2ccccc2C1 ZINC000638621322 430392685 /nfs/dbraw/zinc/39/26/85/430392685.db2.gz WEMUCGAJICFWRF-XLIONFOSSA-N 2 0 316.489 2.618 20 0 DFADRP CC[N@H+](Cc1ccc(C(=O)N[C@@H]2CC[C@H](C)[NH2+]C2)cc1)C(C)C ZINC000638644964 430398185 /nfs/dbraw/zinc/39/81/85/430398185.db2.gz TXQYJSHABOIAJQ-MAUKXSAKSA-N 2 0 317.477 2.787 20 0 DFADRP CC(C)(O)C[NH+]1CCC([NH2+]CC2(c3cccc(F)c3)CC2)CC1 ZINC000638649440 430400109 /nfs/dbraw/zinc/40/01/09/430400109.db2.gz AFBVORBOCDDZDL-UHFFFAOYSA-N 2 0 320.452 2.682 20 0 DFADRP C[C@H]1C[C@H]([NH3+])CCN1CC(=O)Nc1ccccc1C(C)(C)C ZINC000568897817 430404705 /nfs/dbraw/zinc/40/47/05/430404705.db2.gz DGVMXXQTHXJQTL-UONOGXRCSA-N 2 0 303.450 2.734 20 0 DFADRP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1[NH2+]Cc1ccc(-c2ccncc2)cc1 ZINC000569330362 430444300 /nfs/dbraw/zinc/44/43/00/430444300.db2.gz SKLVECSFUZQBQR-JVPBZIDWSA-N 2 0 311.429 2.591 20 0 DFADRP [NH3+][C@@H]1CCCCCN(C(=O)c2ccc(Nc3cc[nH+]cc3)cc2)C1 ZINC000638820459 430445393 /nfs/dbraw/zinc/44/53/93/430445393.db2.gz WMRFGXLTOPEQDU-MRXNPFEDSA-N 2 0 324.428 2.591 20 0 DFADRP [NH3+][C@H]1CCC[C@H]([NH2+]CCc2nc(-c3ccccn3)cs2)C1 ZINC000569355417 430448499 /nfs/dbraw/zinc/44/84/99/430448499.db2.gz LBBIYLFXZBXBDP-STQMWFEESA-N 2 0 302.447 2.607 20 0 DFADRP CC[C@H](C)[C@@H](C[NH2+]CC1CCN(c2cc[nH+]cc2)CC1)OC ZINC000638836341 430449454 /nfs/dbraw/zinc/44/94/54/430449454.db2.gz FHKNTAQOJFKLLQ-MAUKXSAKSA-N 2 0 305.466 2.949 20 0 DFADRP CO[C@](C)(C[NH2+]CC1CCN(c2cc[nH+]cc2)CC1)C1CC1 ZINC000638836595 430449653 /nfs/dbraw/zinc/44/96/53/430449653.db2.gz JAVAJRAFSGOGLS-GOSISDBHSA-N 2 0 303.450 2.703 20 0 DFADRP OC1(C(F)(F)F)CCC([NH2+]CC2CC[NH+](C3CC3)CC2)CC1 ZINC000569424274 430451909 /nfs/dbraw/zinc/45/19/09/430451909.db2.gz UZDYWNYVFLMURT-UHFFFAOYSA-N 2 0 320.399 2.686 20 0 DFADRP COc1cncc(/C=C/CC[N@H+](C)CCC[NH+]2CCCC2)c1 ZINC000584050455 430454466 /nfs/dbraw/zinc/45/44/66/430454466.db2.gz VDYFEYHABYDVDQ-FPYGCLRLSA-N 2 0 303.450 2.911 20 0 DFADRP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1[NH2+]Cc1ccncc1N ZINC000641737445 430456627 /nfs/dbraw/zinc/45/66/27/430456627.db2.gz VLLBUSHCGIRWNJ-HZPDHXFCSA-N 2 0 324.472 2.910 20 0 DFADRP CN1CC[NH+](CCCC[NH2+]Cc2cc(F)cc(Cl)c2)CC1 ZINC000548255637 430458051 /nfs/dbraw/zinc/45/80/51/430458051.db2.gz UXOKJYUGHRACAW-UHFFFAOYSA-N 2 0 313.848 2.596 20 0 DFADRP [NH3+]CCC[C@@H]([NH2+]C1CC[NH+](CC2CC2)CC1)c1ccccc1 ZINC000584100776 430458189 /nfs/dbraw/zinc/45/81/89/430458189.db2.gz DETBFTBXPWBQEF-LJQANCHMSA-N 3 0 301.478 2.931 20 0 DFADRP CC(C)[C@@H](CO)[NH2+][C@@H]1CCN(Cc2ccccc2)C2(CC2)C1 ZINC000569483940 430458328 /nfs/dbraw/zinc/45/83/28/430458328.db2.gz ZBNRRBCZVKSAPI-QZTJIDSGSA-N 2 0 302.462 2.790 20 0 DFADRP Cc1ccc(NC(=O)C[C@@H](C)[NH2+]CC2=CC[NH2+]CC2)c(Cl)c1 ZINC000569567470 430466436 /nfs/dbraw/zinc/46/64/36/430466436.db2.gz OYOKMEUWGLXJDH-CYBMUJFWSA-N 2 0 321.852 2.875 20 0 DFADRP CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)CC[NH+](C)C1CCCCC1 ZINC000548393227 430468853 /nfs/dbraw/zinc/46/88/53/430468853.db2.gz RXYNMIVZQMOYJY-QGZVFWFLSA-N 2 0 309.498 2.584 20 0 DFADRP C[C@@H]1Cc2ccccc2N1C1CC[NH+](CC2CC[NH2+]CC2)CC1 ZINC000641794161 430473567 /nfs/dbraw/zinc/47/35/67/430473567.db2.gz RHCCCNMCZIBGNQ-MRXNPFEDSA-N 2 0 313.489 2.902 20 0 DFADRP CC1(C)[C@@H]([NH3+])C[C@@H]1[NH2+]CCOc1ccccc1C(F)(F)F ZINC000641802811 430475653 /nfs/dbraw/zinc/47/56/53/430475653.db2.gz PHAXOYOGFYKWHE-STQMWFEESA-N 2 0 302.340 2.800 20 0 DFADRP CC1(C)[C@@H]([NH3+])C[C@@H]1[NH2+]Cc1ccc(OCc2ccccn2)cc1 ZINC000641802746 430476032 /nfs/dbraw/zinc/47/60/32/430476032.db2.gz OJCNNQSUZUSSJA-ROUUACIJSA-N 2 0 311.429 2.876 20 0 DFADRP [NH3+][C@@H]1CCCO[C@@H]1C1CC[NH+](C[C@H]2CCC3(CCCC3)O2)CC1 ZINC000641800484 430477280 /nfs/dbraw/zinc/47/72/80/430477280.db2.gz XTBNZLUWZGDVEG-KZNAEPCWSA-N 2 0 322.493 2.697 20 0 DFADRP CCCc1nc(C)c(C[NH+]2CCC([C@H]3C[C@@H]([NH3+])CCO3)CC2)o1 ZINC000641798754 430477404 /nfs/dbraw/zinc/47/74/04/430477404.db2.gz HSTRTWZDVLNVIE-JKSUJKDBSA-N 2 0 321.465 2.654 20 0 DFADRP CC1(C)[C@H]([NH3+])C[C@@H]1[NH2+]CCC(=O)Nc1ccc(Cl)cc1F ZINC000641804173 430478535 /nfs/dbraw/zinc/47/85/35/430478535.db2.gz JACOAGGWQHDMKK-OLZOCXBDSA-N 2 0 313.804 2.523 20 0 DFADRP C[C@@H]1CC[C@H](C[NH3+])N(CCC(=O)Nc2ccccc2F)[C@H]1C ZINC000641809274 430480180 /nfs/dbraw/zinc/48/01/80/430480180.db2.gz QHMXCLKYZFZGAT-HZSPNIEDSA-N 2 0 307.413 2.602 20 0 DFADRP CCN(C[C@H]1CCC[N@@H+]1CC)C(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC000547798651 430422957 /nfs/dbraw/zinc/42/29/57/430422957.db2.gz NVLNEGHLWSEEKW-IAGOWNOFSA-N 2 0 309.498 2.584 20 0 DFADRP CC[C@@H]1CC[C@@H]1[NH2+][C@@H](CN1CC[NH+](C)CC1)c1ccccc1 ZINC000569756986 430484206 /nfs/dbraw/zinc/48/42/06/430484206.db2.gz HBVWSZUWTTZWLH-NEWSRXKRSA-N 2 0 301.478 2.753 20 0 DFADRP C[C@H]([NH2+]Cc1ccccc1C[N@@H+]1CCC[C@H]1CO)[C@@H]1CC1(F)F ZINC000638972615 430484446 /nfs/dbraw/zinc/48/44/46/430484446.db2.gz VRMUZLRAEOHROX-JQFCIGGWSA-N 2 0 324.415 2.777 20 0 DFADRP c1cc2c(ncnc2NC[C@@H]2CCC[N@H+](Cc3ccccc3)C2)[nH]1 ZINC000588896638 430484502 /nfs/dbraw/zinc/48/45/02/430484502.db2.gz RVZURWIZCZKIGM-INIZCTEOSA-N 2 0 321.428 3.282 20 0 DFADRP C[C@H]([NH2+]Cc1ccccc1C[N@@H+]1CCC[C@@H]1CO)[C@@H]1CC1(F)F ZINC000638972619 430485568 /nfs/dbraw/zinc/48/55/68/430485568.db2.gz VRMUZLRAEOHROX-XKQJLSEDSA-N 2 0 324.415 2.777 20 0 DFADRP CCCC[C@H](CC)C(=O)Nc1cc(N2CC[NH2+]CC2)cc[nH+]1 ZINC000638987747 430488554 /nfs/dbraw/zinc/48/85/54/430488554.db2.gz YEJQOCXCDKHXRB-AWEZNQCLSA-N 2 0 304.438 2.646 20 0 DFADRP C[C@H](CC(=O)Nc1cc(N2CC[NH2+]CC2)cc[nH+]1)c1ccccc1 ZINC000638987701 430488725 /nfs/dbraw/zinc/48/87/25/430488725.db2.gz WRUFUBPXLAOZIY-OAHLLOKOSA-N 2 0 324.428 2.624 20 0 DFADRP CC[N@@H+]1C[C@H](C)N(C(=O)CC[NH+](C)C2CCCCC2)C[C@@H]1C ZINC000548721254 430494746 /nfs/dbraw/zinc/49/47/46/430494746.db2.gz LBKMTCIACUPXIM-HOTGVXAUSA-N 2 0 309.498 2.582 20 0 DFADRP C[N@H+](CCC(=O)N1CC[C@H]2[C@@H](CCC[NH+]2C)C1)C1CCCCC1 ZINC000548719917 430494966 /nfs/dbraw/zinc/49/49/66/430494966.db2.gz TWCFTKWVQFXACP-WMZOPIPTSA-N 2 0 321.509 2.584 20 0 DFADRP O=C(NC[C@@H]1CC[N@@H+]1C1CCCCC1)[C@H]1CC[NH+]1C1CCCC1 ZINC000636253718 430496183 /nfs/dbraw/zinc/49/61/83/430496183.db2.gz ONBSACBVHRDOCY-ZWKOTPCHSA-N 2 0 319.493 2.527 20 0 DFADRP C[NH+](C)[C@@H]1CCC[C@H]([NH2+]CCC(=O)Nc2cccc(F)c2)C1 ZINC000569921086 430498509 /nfs/dbraw/zinc/49/85/09/430498509.db2.gz OEPLZPZWEVNIAM-GOEBONIOSA-N 2 0 307.413 2.617 20 0 DFADRP CC[N@H+](C)C[C@@H](O)C[NH+]1CCCC[C@H]1CCc1ccccc1 ZINC000569937769 430499923 /nfs/dbraw/zinc/49/99/23/430499923.db2.gz NNHPYVCZRZTXOM-RBUKOAKNSA-N 2 0 304.478 2.786 20 0 DFADRP C[N@H+](C[C@@H]1CCN(c2ccccc2)C1)C[C@H]1CCc2nccn2C1 ZINC000639078335 430515851 /nfs/dbraw/zinc/51/58/51/430515851.db2.gz ZLNZONILZDLJPN-MSOLQXFVSA-N 2 0 324.472 2.904 20 0 DFADRP CC[NH2+]CCC[NH2+][C@H]1CC[C@H](C(=O)OCC)c2ccccc21 ZINC000570200200 430521465 /nfs/dbraw/zinc/52/14/65/430521465.db2.gz REBJUVRNDCKYRY-IRXDYDNUSA-N 2 0 304.434 2.757 20 0 DFADRP C[NH+](C)[C@@H]1CCCN(Cc2ccccc2OCCCCO)CC1 ZINC000639104053 430525193 /nfs/dbraw/zinc/52/51/93/430525193.db2.gz OEJICTXTKDSIEB-GOSISDBHSA-N 2 0 320.477 2.754 20 0 DFADRP C[C@@H]1CCN(CCC[NH+]2CCCC2)C[C@@H]1C(=O)OC(C)(C)C ZINC000570329514 430533271 /nfs/dbraw/zinc/53/32/71/430533271.db2.gz QFQAQXDHNMZWDP-CVEARBPZSA-N 2 0 310.482 2.772 20 0 DFADRP Cn1cc(CCC[NH2+]C[C@H]2CCC[N@@H+]2C2CCCCC2)cn1 ZINC000639133682 430538156 /nfs/dbraw/zinc/53/81/56/430538156.db2.gz VNUFCPSCTINZHZ-GOSISDBHSA-N 2 0 304.482 2.739 20 0 DFADRP COc1ccccc1N1CC[C@H](C[NH2+][C@@H]2CCCCC[C@@H]2[NH3+])C1 ZINC000570388822 430539731 /nfs/dbraw/zinc/53/97/31/430539731.db2.gz IIWXEWSEMAVQDJ-IXDOHACOSA-N 2 0 317.477 2.771 20 0 DFADRP CC(C)(O)C[NH+]1CCC([NH2+]C[C@@H]2CCCC(F)(F)C2)CC1 ZINC000639153189 430547627 /nfs/dbraw/zinc/54/76/27/430547627.db2.gz FYTMMPGIBCDFIC-CYBMUJFWSA-N 2 0 304.425 2.637 20 0 DFADRP C[C@H](N[C@H](C[NH+]1CCCCC1)c1ccccc1)[C@H]1CCC[NH2+]1 ZINC000643451867 430600766 /nfs/dbraw/zinc/60/07/66/430600766.db2.gz NIMVKBUIBRPPPF-QXAKKESOSA-N 2 0 301.478 2.944 20 0 DFADRP C[C@@H]1CCN(CC[NH2+][C@@H]2CCCN(Cc3ccccc3)[C@@H]2C)C1 ZINC000551034902 430548927 /nfs/dbraw/zinc/54/89/27/430548927.db2.gz UZHXWEGUFIGNBB-QWFCFKBJSA-N 2 0 315.505 2.971 20 0 DFADRP CN1CC[C@@H]([NH2+]Cc2ccc(C(N)=O)cc2)C[C@@H]1c1ccccc1 ZINC000550996866 430549411 /nfs/dbraw/zinc/54/94/11/430549411.db2.gz GVHJKGLTNRKCFO-RTBURBONSA-N 2 0 323.440 2.711 20 0 DFADRP C[NH+](C)CCCOc1cnccc1C[NH2+]CC1CCSCC1 ZINC000639185047 430561765 /nfs/dbraw/zinc/56/17/65/430561765.db2.gz DXIDPDCIKHXHHH-UHFFFAOYSA-N 2 0 323.506 2.645 20 0 DFADRP COc1ncc([C@H](C)[NH2+][C@H]2CCn3ccnc3C2)cc1Cl ZINC000570651578 430563074 /nfs/dbraw/zinc/56/30/74/430563074.db2.gz VHXOKMCUKAUVBA-JQWIXIFHSA-N 2 0 306.797 2.606 20 0 DFADRP Fc1ccc2ccc(C[NH2+][C@@H]3CCc4nc[nH]c4C3)nc2c1F ZINC000639191419 430563153 /nfs/dbraw/zinc/56/31/53/430563153.db2.gz JKFFJMRRFZDIOA-LLVKDONJSA-N 2 0 314.339 2.883 20 0 DFADRP Fc1ccc2ccc(C[NH2+][C@H]3CCc4nc[nH]c4C3)nc2c1F ZINC000639191420 430564541 /nfs/dbraw/zinc/56/45/41/430564541.db2.gz JKFFJMRRFZDIOA-NSHDSACASA-N 2 0 314.339 2.883 20 0 DFADRP C[C@@H]1CC[N@H+](Cc2cccc(CN3CCOCC3)c2)C[C@@H]1F ZINC000643251823 430567746 /nfs/dbraw/zinc/56/77/46/430567746.db2.gz FXKFJUFCXXSVGN-QAPCUYQASA-N 2 0 306.425 2.699 20 0 DFADRP C[C@@H]1CCC[N@@H+](C(C)(C)CN[C@@H]2CC[NH+](C)[C@H]3CCC[C@H]32)C1 ZINC000552047819 430581836 /nfs/dbraw/zinc/58/18/36/430581836.db2.gz ZTFANYIMHBFQTJ-XDNAFOTISA-N 2 0 307.526 2.959 20 0 DFADRP Clc1ccc(N2CC[C@H](C[NH2+][C@H]3CCC[NH2+]CC3)C2)cc1 ZINC000643453247 430601887 /nfs/dbraw/zinc/60/18/87/430601887.db2.gz SZGDJXGCSCFGMO-ZBFHGGJFSA-N 2 0 307.869 2.898 20 0 DFADRP C[C@@H]([NH2+][C@H]1CCN(C2CC[NH+](C)CC2)C1)c1ccncc1Cl ZINC000643346175 430588777 /nfs/dbraw/zinc/58/87/77/430588777.db2.gz GTIWAWFKASKGQK-KGLIPLIRSA-N 2 0 322.884 2.554 20 0 DFADRP C[C@@H]([NH2+]C[C@H]1CCN(c2ccc(F)c(F)c2)C1)[C@@H]1CCCC[NH2+]1 ZINC000643453181 430602141 /nfs/dbraw/zinc/60/21/41/430602141.db2.gz MOHWEZFMSFBOHO-LBTNJELSSA-N 2 0 323.431 2.911 20 0 DFADRP C[C@@H]1CCC[C@](CN[C@@H]2CC[N@H+](C)[C@H]3CCC[C@@H]32)([NH+](C)C)C1 ZINC000552223294 430590756 /nfs/dbraw/zinc/59/07/56/430590756.db2.gz MMNAGPYQIJMRFD-QQXKLLMISA-N 2 0 307.526 2.959 20 0 DFADRP Cc1ccccc1NC(=O)C[C@H](C)[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000570954364 430592484 /nfs/dbraw/zinc/59/24/84/430592484.db2.gz YCXQNBVCTYLYKY-VVLHAWIVSA-N 2 0 315.461 2.690 20 0 DFADRP C[C@H]([NH2+]CC1(O)CC[NH+](Cc2ccccc2)CC1)[C@@H]1CC1(F)F ZINC000639264504 430592914 /nfs/dbraw/zinc/59/29/14/430592914.db2.gz FEOMLTSIVXDRFU-HOCLYGCPSA-N 2 0 324.415 2.647 20 0 DFADRP C[N@@H+]1C[C@@H](CNCc2cc(C3CC3)no2)[C@H](c2ccccc2)C1 ZINC000639286081 430597886 /nfs/dbraw/zinc/59/78/86/430597886.db2.gz NGUMUZFFRZPAOQ-AEFFLSMTSA-N 2 0 311.429 2.987 20 0 DFADRP CC(C)(CC[NH3+])[NH2+]Cc1cnn(Cc2ccccc2Cl)c1 ZINC000643427262 430598421 /nfs/dbraw/zinc/59/84/21/430598421.db2.gz ZDYMEHAUNCJXHP-UHFFFAOYSA-N 2 0 306.841 2.802 20 0 DFADRP CC[N@H+](CCC[NH2+]C[C@H](OC)[C@H]1CCOC1)C1CCCCC1 ZINC000639289780 430599645 /nfs/dbraw/zinc/59/96/45/430599645.db2.gz COQLSIYFNVLFTB-WMZOPIPTSA-N 2 0 312.498 2.672 20 0 DFADRP CC(C)Oc1ccc2[nH+]ccc(N3CCO[C@@H]([C@H](C)[NH3+])C3)c2c1 ZINC000643018377 430542477 /nfs/dbraw/zinc/54/24/77/430542477.db2.gz ZXRUNXJVQHYGCJ-SCLBCKFNSA-N 2 0 315.417 2.574 20 0 DFADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]C[C@H]1CCN(c2ccc(F)c(F)c2)C1 ZINC000643453210 430602853 /nfs/dbraw/zinc/60/28/53/430602853.db2.gz OXZKIMLVGRIBLE-HBUWYVDXSA-N 2 0 323.431 2.769 20 0 DFADRP Cc1ccc(CCC[NH2+][C@@H]2CCOC[C@H]2[C@H]2CCC[NH2+]2)c(C)c1 ZINC000643457018 430603206 /nfs/dbraw/zinc/60/32/06/430603206.db2.gz CPIVFZCVDSKFFX-XUVXKRRUSA-N 2 0 316.489 2.983 20 0 DFADRP COc1ccc2[nH]cc(CC[NH2+][C@@H]3CCCCC[C@@H]3[NH3+])c2c1 ZINC000643453983 430603270 /nfs/dbraw/zinc/60/32/70/430603270.db2.gz QSXDAWQFLZSNTA-FUHWJXTLSA-N 2 0 301.434 2.969 20 0 DFADRP COC[C@@H](CCC[NH3+])[NH2+]CCc1c[nH]c2cc(Cl)ccc12 ZINC000643457489 430603693 /nfs/dbraw/zinc/60/36/93/430603693.db2.gz GICKTJWISIKHMQ-CQSZACIVSA-N 2 0 309.841 2.707 20 0 DFADRP C[C@@H](NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1)[C@@H]1CCC[NH2+]1 ZINC000643457626 430604017 /nfs/dbraw/zinc/60/40/17/430604017.db2.gz RIJBNGPKBJETCR-NEWSRXKRSA-N 2 0 301.478 2.629 20 0 DFADRP CCN(CC)C(=O)c1ccc(C[NH2+][C@H](C)[C@@H]2CCC[NH2+]C2)cc1 ZINC000643459041 430604255 /nfs/dbraw/zinc/60/42/55/430604255.db2.gz VXAIHVZBABPCQF-CRAIPNDOSA-N 2 0 317.477 2.646 20 0 DFADRP C[C@H](NC[C@H]1CCC[N@H+](Cc2ccccc2)C1)[C@@H]1CCC[NH2+]C1 ZINC000643457650 430604383 /nfs/dbraw/zinc/60/43/83/430604383.db2.gz UPSPIDAPJPWDFZ-DFQSSKMNSA-N 2 0 315.505 2.876 20 0 DFADRP CC[NH+](CC)[C@H](CNC(=O)C1CCC([NH3+])CC1)c1ccsc1 ZINC000621506570 430605052 /nfs/dbraw/zinc/60/50/52/430605052.db2.gz LOSRSYXFBDVYEH-AVVWSFFYSA-N 2 0 323.506 2.765 20 0 DFADRP c1ccc2c(c1)CC[C@H](C[NH2+][C@@H]1CCOC[C@@H]1[C@@H]1CCC[NH2+]1)C2 ZINC000643478088 430607429 /nfs/dbraw/zinc/60/74/29/430607429.db2.gz XZVMFARSVGMFDT-JOCLIGHLSA-N 2 0 314.473 2.538 20 0 DFADRP Cc1cccc(NC(=O)C[C@@H](C)[NH2+]CC[C@H]2CCC[NH2+]C2)c1 ZINC000643510441 430611147 /nfs/dbraw/zinc/61/11/47/430611147.db2.gz VWDKNJLRSLPXNV-HZPDHXFCSA-N 2 0 303.450 2.691 20 0 DFADRP C[C@H]([NH2+][C@@H]1CCCC[C@H]1C[NH3+])c1ccc2c(c1)CCC(=O)N2 ZINC000643512059 430611822 /nfs/dbraw/zinc/61/18/22/430611822.db2.gz FMWLZKWXZNDSJT-VBNZEHGJSA-N 2 0 301.434 2.739 20 0 DFADRP c1ccc(C[N@H+]2CC[C@H](NCC[NH2+]C3CC3)[C@H]3CCC[C@H]32)cc1 ZINC000643507389 430612073 /nfs/dbraw/zinc/61/20/73/430612073.db2.gz BNHKQVJNCVEPCT-HSALFYBXSA-N 2 0 313.489 2.771 20 0 DFADRP COc1ccc([C@H](C)[C@H](C)[NH2+][C@H]2CCC[NH2+]CC2)cc1OC ZINC000643522788 430613014 /nfs/dbraw/zinc/61/30/14/430613014.db2.gz SMBZXEKETXDDIA-YCPHGPKFSA-N 2 0 306.450 2.928 20 0 DFADRP C[C@H]([NH2+]C[C@H]1CCC[C@@H]([NH3+])C1)c1cccc(N2CCOCC2)c1 ZINC000643540966 430614254 /nfs/dbraw/zinc/61/42/54/430614254.db2.gz IXOJHJKNKRLBFB-XYJFISCASA-N 2 0 317.477 2.691 20 0 DFADRP c1ccc([C@H](C[C@H]2CCOC2)[NH2+][C@@H]2CC23CC[NH2+]CC3)cc1 ZINC000643536514 430614515 /nfs/dbraw/zinc/61/45/15/430614515.db2.gz UOJPBEDNHFXPCX-BPQIPLTHSA-N 2 0 300.446 2.886 20 0 DFADRP C[C@@H]([NH2+][C@@H]1CC12CC[NH2+]CC2)c1ncc(-c2ccccc2)n1C ZINC000643536726 430614658 /nfs/dbraw/zinc/61/46/58/430614658.db2.gz VDBDXKSDICJQQK-RHSMWYFYSA-N 2 0 310.445 2.880 20 0 DFADRP C[C@@H]([NH2+][C@H]1CC[NH2+]C2(CCC2)C1)c1ccc2c(c1)OCCO2 ZINC000643547053 430616332 /nfs/dbraw/zinc/61/63/32/430616332.db2.gz YXPPPRGBLOKKOC-HIFRSBDPSA-N 2 0 302.418 2.783 20 0 DFADRP C[C@@H]([NH2+][C@@H]1CC[NH2+]C2(CCC2)C1)c1ccc(C(=O)N(C)C)cc1 ZINC000643547545 430616398 /nfs/dbraw/zinc/61/63/98/430616398.db2.gz GSUMRHZQDSJCBT-RHSMWYFYSA-N 2 0 315.461 2.714 20 0 DFADRP CC(C)(O)C[NH+]1CCC([NH2+]CC2(C(F)(F)F)CCCC2)CC1 ZINC000639354173 430617979 /nfs/dbraw/zinc/61/79/79/430617979.db2.gz DDJQISMXDKJESN-UHFFFAOYSA-N 2 0 322.415 2.934 20 0 DFADRP C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C[NH2+]C1CC(n2cccn2)C1 ZINC000639358806 430619828 /nfs/dbraw/zinc/61/98/28/430619828.db2.gz DMSFEZDGEWLVBS-YUKKFIBKSA-N 2 0 324.472 2.944 20 0 DFADRP CSc1ccc(C[NH2+][C@@H]2CCC[C@@H]2N2CC[C@H](O)C2)s1 ZINC000639374396 430624710 /nfs/dbraw/zinc/62/47/10/430624710.db2.gz YVZDPTQFYUHRRM-YUTCNCBUSA-N 2 0 312.504 2.547 20 0 DFADRP CC[NH+](CC)[C@@H](CNC(=O)CC[NH2+]C(C)C)c1ccsc1 ZINC000553952646 430625934 /nfs/dbraw/zinc/62/59/34/430625934.db2.gz MZSGSIOLDUZQEC-HNNXBMFYSA-N 2 0 311.495 2.635 20 0 DFADRP Cc1cccc(OC[C@@H](O)C[NH2+]CC[C@H](C)[NH+]2CCCCC2)c1 ZINC000571636883 430641628 /nfs/dbraw/zinc/64/16/28/430641628.db2.gz UDYDCYNAVLFBAF-ROUUACIJSA-N 2 0 320.477 2.589 20 0 DFADRP COc1ccc(CC[C@H](C)[NH2+]C[C@@H]2CCC[N@H+](C)C2)cc1O ZINC000572094827 430671427 /nfs/dbraw/zinc/67/14/27/430671427.db2.gz MKUSUHLCGXZSIJ-HOCLYGCPSA-N 2 0 306.450 2.653 20 0 DFADRP COc1ccc(CC[C@@H](C)[NH2+]C[C@H]2CCC[N@H+](C)C2)cc1O ZINC000572094825 430671551 /nfs/dbraw/zinc/67/15/51/430671551.db2.gz MKUSUHLCGXZSIJ-GDBMZVCRSA-N 2 0 306.450 2.653 20 0 DFADRP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(OC3CC[NH+](C)CC3)cc2)[C@@H](C)O1 ZINC000296736599 277985313 /nfs/dbraw/zinc/98/53/13/277985313.db2.gz JTRUAEJKHZNXTF-SPYBWZPUSA-N 2 0 318.461 2.815 20 0 DFADRP CC1(C)CO[C@H](C[NH+]2CCC(CCC[NH+]3CCOCC3)CC2)C1 ZINC000639574312 430675071 /nfs/dbraw/zinc/67/50/71/430675071.db2.gz KAEFEWCUZMXKEY-SFHVURJKSA-N 2 0 324.509 2.626 20 0 DFADRP C[C@@H]([NH2+]CCNc1ncc(Cl)cc1Cl)[C@@H]1CCC[NH2+]C1 ZINC000572234307 430677539 /nfs/dbraw/zinc/67/75/39/430677539.db2.gz RCNLGRSWCHFOAJ-GHMZBOCLSA-N 2 0 317.264 2.778 20 0 DFADRP CC(C)c1ccc(C[NH2+][C@@H](C)CCN2CC[NH+](C)CC2)cc1 ZINC000185871845 278037580 /nfs/dbraw/zinc/03/75/80/278037580.db2.gz AWDNWQMQIFXKIR-KRWDZBQOSA-N 2 0 303.494 2.926 20 0 DFADRP CC[C@@H]1Oc2cc([C@H](C)[NH2+][C@@H]3CCC[C@H]([NH3+])C3)ccc2NC1=O ZINC000572378793 430685681 /nfs/dbraw/zinc/68/56/81/430685681.db2.gz RIYJUSCRWXOIDZ-ZIEJDFEHSA-N 2 0 317.433 2.717 20 0 DFADRP OC[C@@H](C[NH2+]C1CC[NH+](CC2CC2)CC1)c1ccccc1Cl ZINC000572551791 430690468 /nfs/dbraw/zinc/69/04/68/430690468.db2.gz LVNRLHHHBNUXIK-OAHLLOKOSA-N 2 0 322.880 2.880 20 0 DFADRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+][C@H]1C[C@H](C)c2ccccc21 ZINC000289838416 278172353 /nfs/dbraw/zinc/17/23/53/278172353.db2.gz AWMNSIKFJXNNEF-FCEWJHQRSA-N 2 0 301.478 2.851 20 0 DFADRP C[C@@H](CCN1CC[NH+](C)CC1)[NH2+][C@@H]1CCCc2ccccc21 ZINC000186578871 278231638 /nfs/dbraw/zinc/23/16/38/278231638.db2.gz GFYBTYQELCGLLK-QFBILLFUSA-N 2 0 301.478 2.680 20 0 DFADRP CCOC(=O)[C@@H](c1ccccc1)N1CC[C@H](c2nccn2C)C1 ZINC000572658676 430693685 /nfs/dbraw/zinc/69/36/85/430693685.db2.gz DGPJDAJDCQIAFK-JKSUJKDBSA-N 2 0 313.401 2.514 20 0 DFADRP CC[C@H](C[NH2+][C@@H](C)c1ccnn1C)N1CCc2ccccc2C1 ZINC000572808142 430697077 /nfs/dbraw/zinc/69/70/77/430697077.db2.gz AOCYHNDDGDOWFB-MAUKXSAKSA-N 2 0 312.461 2.908 20 0 DFADRP C[C@@H]([NH2+]C[C@H](C)N1CC[NH+](C)CC1)c1ccc2ccccc2n1 ZINC000178774471 278353093 /nfs/dbraw/zinc/35/30/93/278353093.db2.gz BVRJXRNEVGSJNN-JKSUJKDBSA-N 2 0 312.461 2.521 20 0 DFADRP C[C@@H]([NH2+]Cc1ccc(N2CC[NH+](C)CC2)nc1)C1CCCC1 ZINC000177827741 278357529 /nfs/dbraw/zinc/35/75/29/278357529.db2.gz KXWLYXMAODVOEH-OAHLLOKOSA-N 2 0 302.466 2.502 20 0 DFADRP C[C@@H](O)C[N@H+](C)C1CC[NH+](C[C@@H]2CCCC(F)(F)C2)CC1 ZINC000338317244 278393069 /nfs/dbraw/zinc/39/30/69/278393069.db2.gz PLQAYRKABGKQBN-ZIAGYGMSSA-N 2 0 304.425 2.589 20 0 DFADRP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)[C@H](C)c2ccccc2F)CC1 ZINC000264309066 278395783 /nfs/dbraw/zinc/39/57/83/278395783.db2.gz ZJDQJWVGWJQQFK-HUUCEWRRSA-N 2 0 308.441 2.911 20 0 DFADRP CCCc1cccc(C[NH2+]C2CCN([C@@H]3CCOC3)CC2)c1 ZINC000657752248 430725984 /nfs/dbraw/zinc/72/59/84/430725984.db2.gz OEXUSGCRSYSBAQ-LJQANCHMSA-N 2 0 302.462 2.982 20 0 DFADRP CN(Cc1ccccc1)C[C@H](O)C[NH2+]CCCC(C)(F)F ZINC000644655584 430781732 /nfs/dbraw/zinc/78/17/32/430781732.db2.gz HSUROOFOKPRJTI-OAHLLOKOSA-N 2 0 300.393 2.504 20 0 DFADRP c1ccc(C[N@H+]2CC[C@@H](C[NH2+][C@@H]3COC4(CCC4)C3)C2)cc1 ZINC000657999347 430782587 /nfs/dbraw/zinc/78/25/87/430782587.db2.gz UKFZVAHHQZKJRU-ROUUACIJSA-N 2 0 300.446 2.810 20 0 DFADRP c1ccc(C[N@H+]2C[C@H](C[NH2+][C@H]3CCOC3)C3(CCC3)C2)cc1 ZINC000657773381 430731752 /nfs/dbraw/zinc/73/17/52/430731752.db2.gz RDABJMFOUUBHTD-ROUUACIJSA-N 2 0 300.446 2.667 20 0 DFADRP C[C@H](Cc1cnccn1)[NH2+]C1CC[NH+](CC2CCCC2)CC1 ZINC000651210948 430737919 /nfs/dbraw/zinc/73/79/19/430737919.db2.gz GQBUQIIEEUNOEJ-OAHLLOKOSA-N 2 0 302.466 2.652 20 0 DFADRP CC[C@@H]1C[C@@H]([NH2+]Cc2ccc(OCC[NH+](C)C)cc2)CCO1 ZINC000648427707 430783121 /nfs/dbraw/zinc/78/31/21/430783121.db2.gz OQAMPUBBCFHZBJ-DLBZAZTESA-N 2 0 306.450 2.674 20 0 DFADRP CCC(C)(C)[C@H](C)[NH2+]Cc1cccc(C(=O)NCC[NH+](C)C)c1 ZINC000651215805 430740233 /nfs/dbraw/zinc/74/02/33/430740233.db2.gz ZEILVWRPSJACOC-HNNXBMFYSA-N 2 0 319.493 2.892 20 0 DFADRP Fc1cccn2cc(C[NH2+]CC3CC[NH+](CC4CC4)CC3)nc12 ZINC000657813673 430742896 /nfs/dbraw/zinc/74/28/96/430742896.db2.gz WWQOMAUBRXEQMF-UHFFFAOYSA-N 2 0 316.424 2.685 20 0 DFADRP CC[C@@H]([NH2+]C1CCN(C[C@H]2CCCO2)CC1)c1ccncc1 ZINC000651228802 430743573 /nfs/dbraw/zinc/74/35/73/430743573.db2.gz CYTNQVBVBKZLSH-QZTJIDSGSA-N 2 0 303.450 2.766 20 0 DFADRP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+][C@H](c1ccccc1)[C@H](C)O ZINC000657814288 430744045 /nfs/dbraw/zinc/74/40/45/430744045.db2.gz BYRAFVVDXRYAHL-KXBFYZLASA-N 2 0 322.412 2.787 20 0 DFADRP Cc1ccc2ncc(C[NH2+]CC3CC[NH+](CC4CC4)CC3)n2c1 ZINC000657812421 430744465 /nfs/dbraw/zinc/74/44/65/430744465.db2.gz BBNQNIVOQRZNBB-UHFFFAOYSA-N 2 0 312.461 2.854 20 0 DFADRP CC[C@@H](Cc1ccc(Cl)cc1)[NH2+]CCCN1CC[NH+](C)CC1 ZINC000657825464 430746180 /nfs/dbraw/zinc/74/61/80/430746180.db2.gz WSSXQDYZTANUOA-SFHVURJKSA-N 2 0 323.912 2.888 20 0 DFADRP CC(C)(C)[C@H](O)C[NH2+]CC1CC[NH+](Cc2cccs2)CC1 ZINC000644532469 430746709 /nfs/dbraw/zinc/74/67/09/430746709.db2.gz SJSWQLNJJZXGAD-MRXNPFEDSA-N 2 0 310.507 2.957 20 0 DFADRP CC(C)[C@H](C[NH2+][C@H](C)C(C)(C)C(F)F)N1CC[NH+](C)CC1 ZINC000657834316 430749185 /nfs/dbraw/zinc/74/91/85/430749185.db2.gz SFWJKJQLMRXMOM-KGLIPLIRSA-N 2 0 305.457 2.528 20 0 DFADRP COCCN1CCC([NH2+][C@@H](C)c2ccc(C(F)F)nc2)CC1 ZINC000657850527 430752596 /nfs/dbraw/zinc/75/25/96/430752596.db2.gz UXIVTVLZIHPRCC-LBPRGKRZSA-N 2 0 313.392 2.781 20 0 DFADRP C[C@@H]([NH2+]CC1CC[NH+](CCN(C)C)CC1)C(C)(C)C(F)F ZINC000657872792 430756104 /nfs/dbraw/zinc/75/61/04/430756104.db2.gz SHHMXBWKCYKJSL-CYBMUJFWSA-N 2 0 305.457 2.529 20 0 DFADRP Cc1ccc(OC[C@H](O)C[NH2+][C@H](CC[NH+](C)C)C(C)(C)C)cc1 ZINC000644569923 430756440 /nfs/dbraw/zinc/75/64/40/430756440.db2.gz OSBKQTDUIPQDAT-SJLPKXTDSA-N 2 0 322.493 2.691 20 0 DFADRP c1ccc(CC[N@@H+]2CC[C@H](C[NH2+][C@H]3COC4(CCC4)C3)C2)cc1 ZINC000657867807 430757069 /nfs/dbraw/zinc/75/70/69/430757069.db2.gz PKFMLLPORLIZOC-RTBURBONSA-N 2 0 314.473 2.852 20 0 DFADRP CCc1ccccc1C[NH2+]C[C@@H](O)CN(C)Cc1ccccc1 ZINC000644572568 430757297 /nfs/dbraw/zinc/75/72/97/430757297.db2.gz AGADDBHLBNNMBW-HXUWFJFHSA-N 2 0 312.457 2.832 20 0 DFADRP CC(C)Cc1ccc([C@H](C)[C@@H](C)[NH2+]C[C@@H](O)CN(C)C)cc1 ZINC000657875472 430759491 /nfs/dbraw/zinc/75/94/91/430759491.db2.gz KQBSNWRZXHQLCX-GPMSIDNRSA-N 2 0 306.494 2.889 20 0 DFADRP C[C@@H](CN(C)CCC[NH+](C)C)[NH2+][C@@H]1CCCc2sccc21 ZINC000658110515 430814302 /nfs/dbraw/zinc/81/43/02/430814302.db2.gz YAYIVNGQMQOFAX-GOEBONIOSA-N 2 0 309.523 2.987 20 0 DFADRP C[C@@H](CN(C)CCC[NH+](C)C)[NH2+]C1CC(c2cccc(F)c2)C1 ZINC000658108270 430814383 /nfs/dbraw/zinc/81/43/83/430814383.db2.gz QHSDMXYUIVNZSJ-DMKPSLHHSA-N 2 0 321.484 2.933 20 0 DFADRP C[C@@H](CN(C)CCC[NH+](C)C)[NH2+]C1CC(c2ccccc2)C1 ZINC000658108116 430814590 /nfs/dbraw/zinc/81/45/90/430814590.db2.gz PJYPNWFFAOSPKF-IVMQYODDSA-N 2 0 303.494 2.794 20 0 DFADRP COc1ccc([C@H](C)[NH2+][C@@H](C)CN(C)CCC[NH+](C)C)c(C)c1 ZINC000658109788 430815137 /nfs/dbraw/zinc/81/51/37/430815137.db2.gz XMMBHMQDGYJEPJ-IRXDYDNUSA-N 2 0 321.509 2.926 20 0 DFADRP C[C@@H](Cc1ccccc1)[NH+]1CCC([NH2+][C@@H](C)C2(CO)CC2)CC1 ZINC000658156556 430829014 /nfs/dbraw/zinc/82/90/14/430829014.db2.gz VOUQDXPTCUFCIY-IRXDYDNUSA-N 2 0 316.489 2.833 20 0 DFADRP C[N@H+](CCCC[NH2+]CCC(=O)Nc1ccccc1F)C1CC1 ZINC000644665809 430784845 /nfs/dbraw/zinc/78/48/45/430784845.db2.gz QQNAHBRTTXXOCW-UHFFFAOYSA-N 2 0 307.413 2.618 20 0 DFADRP CC[C@@H]1C[C@@H]([NH2+]Cc2ccccc2OCC[NH+](C)C)CCO1 ZINC000648438094 430787058 /nfs/dbraw/zinc/78/70/58/430787058.db2.gz LECLSNOWTHCYTO-DLBZAZTESA-N 2 0 306.450 2.674 20 0 DFADRP Cc1cc(C)cc(OC[C@H](O)C[NH2+]C2CCC([NH+](C)C)CC2)c1 ZINC000644675100 430787717 /nfs/dbraw/zinc/78/77/17/430787717.db2.gz JHPTUNVTBCKKPC-DAWZGUTISA-N 2 0 320.477 2.506 20 0 DFADRP C[NH+](CCCCC[N@@H+](C)CC1=CCCOC1)CC1=CCCOC1 ZINC000661656127 430792297 /nfs/dbraw/zinc/79/22/97/430792297.db2.gz OZOFRGXOXJLCEY-UHFFFAOYSA-N 2 0 322.493 2.714 20 0 DFADRP CO[C@@H]1[C@@H](C)[C@H]([NH2+]CC2CC[NH+](C3CCOCC3)CC2)C1(C)C ZINC000658068746 430797559 /nfs/dbraw/zinc/79/75/59/430797559.db2.gz YTKMPJCIJGJMND-JCGIZDLHSA-N 2 0 324.509 2.527 20 0 DFADRP COCC[C@@H]1CCC[C@H]1[NH2+]CC1CC[NH+](C2CCOCC2)CC1 ZINC000658069203 430797793 /nfs/dbraw/zinc/79/77/93/430797793.db2.gz CTEMLLNBXSBFQO-PKOBYXMFSA-N 2 0 324.509 2.672 20 0 DFADRP Cc1cncc(CC[NH2+]C2CC[NH+]([C@H]3CCC[C@@H](C)C3)CC2)n1 ZINC000658260304 430856248 /nfs/dbraw/zinc/85/62/48/430856248.db2.gz ATSPPHAGFDRSLX-BEFAXECRSA-N 2 0 316.493 2.960 20 0 DFADRP CN(C)c1cc[nH+]c(NC(=O)[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000654996262 430861819 /nfs/dbraw/zinc/86/18/19/430861819.db2.gz LUFUIITUCFUGGQ-MRXNPFEDSA-N 2 0 324.428 2.608 20 0 DFADRP CCCN1CC[C@@H]([NH2+][C@H](C)c2cccc(OCC[NH+](C)C)c2)C1 ZINC000658286532 430862171 /nfs/dbraw/zinc/86/21/71/430862171.db2.gz AMIRRWAXVYNKMZ-SJLPKXTDSA-N 2 0 319.493 2.762 20 0 DFADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]C[C@@H](OC1CCCC1)C(F)(F)F ZINC000665237798 430862832 /nfs/dbraw/zinc/86/28/32/430862832.db2.gz KCAVCOVKBIZKEI-MRVWCRGKSA-N 2 0 308.388 2.854 20 0 DFADRP CC(=O)NCc1ccc(C[NH2+][C@H](C)C[C@@H]2CCCCC[NH2+]2)cc1 ZINC000665235257 430862978 /nfs/dbraw/zinc/86/29/78/430862978.db2.gz STOYNHXQNPZDCQ-BEFAXECRSA-N 2 0 317.477 2.723 20 0 DFADRP [NH3+]C[C@@H]1CCC[C@H]1[NH2+]C[C@H]1CCN(c2ccccc2Cl)C1 ZINC000665234735 430863230 /nfs/dbraw/zinc/86/32/30/430863230.db2.gz JMQWBBDCERURAQ-IJEWVQPXSA-N 2 0 307.869 2.883 20 0 DFADRP C[C@@H]1[C@H](C(=O)NCC2([NH+]3CCCCC3)CCCCC2)CC[N@@H+]1C ZINC000648714553 430866552 /nfs/dbraw/zinc/86/65/52/430866552.db2.gz OUHORISXMZSNQR-IAGOWNOFSA-N 2 0 321.509 2.632 20 0 DFADRP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NCC1([NH3+])CCCC1 ZINC000665249578 430869011 /nfs/dbraw/zinc/86/90/11/430869011.db2.gz TTZZWCCVNZYFBY-WMZOPIPTSA-N 2 0 301.478 2.758 20 0 DFADRP COc1cc(OC)c(C[NH2+]CC2(C)CC[NH+](C)CC2)cc1F ZINC000651757708 430870106 /nfs/dbraw/zinc/87/01/06/430870106.db2.gz AHWPJACQRNWHII-UHFFFAOYSA-N 2 0 310.413 2.664 20 0 DFADRP Cn1cc(C[C@@H]2CCC[C@@H]2[NH2+][C@H]2C[C@@H]([NH3+])c3ccccc32)cn1 ZINC000665273180 430879274 /nfs/dbraw/zinc/87/92/74/430879274.db2.gz QZBFTFWPAPBWSU-VLQPXKRTSA-N 2 0 310.445 2.866 20 0 DFADRP CO[C@@H]1CCC[C@H]1[NH2+]Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000648750235 430879322 /nfs/dbraw/zinc/87/93/22/430879322.db2.gz KEMYKJFQKVJQNQ-RTBURBONSA-N 2 0 318.461 2.818 20 0 DFADRP Brc1cccc2c1C[C@@H]([NH2+]CC13CC(C1)C[NH2+]3)CC2 ZINC000665279736 430879995 /nfs/dbraw/zinc/87/99/95/430879995.db2.gz KQHRHLBXQYKHCT-ULKWEWGCSA-N 2 0 321.262 2.648 20 0 DFADRP COc1cccc(C[C@@H](C)[NH2+]CC2CC[NH+](CC3CC3)CC2)n1 ZINC000658355415 430882810 /nfs/dbraw/zinc/88/28/10/430882810.db2.gz IPVIOHKVEZDLKW-OAHLLOKOSA-N 2 0 317.477 2.733 20 0 DFADRP C[N@H+](Cc1ccccc1)C1CCC([NH2+]C2CC(CO)C2)CC1 ZINC000658353836 430882976 /nfs/dbraw/zinc/88/29/76/430882976.db2.gz SKZGARVQHWMBNP-UHFFFAOYSA-N 2 0 302.462 2.790 20 0 DFADRP OCC1CC([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@H]3CCC[C@@H]32)C1 ZINC000658353772 430883555 /nfs/dbraw/zinc/88/35/55/430883555.db2.gz RSCNSVMIJHYRPS-WKXIVMOISA-N 2 0 314.473 2.790 20 0 DFADRP CC(C)[C@H]([NH3+])CCN[C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000665282253 430883852 /nfs/dbraw/zinc/88/38/52/430883852.db2.gz UHQCNLKBYWZELB-YTQUADARSA-N 2 0 303.494 2.860 20 0 DFADRP OCC1CC([NH2+][C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)C1 ZINC000658355726 430884463 /nfs/dbraw/zinc/88/44/63/430884463.db2.gz JGYNCLVJVAUWGX-KMMPOOCJSA-N 2 0 314.473 2.648 20 0 DFADRP Cn1ncc2c1CCC[C@@H]2[NH2+]CC1CC[NH+](CC2CC2)CC1 ZINC000658358020 430884978 /nfs/dbraw/zinc/88/49/78/430884978.db2.gz XLRKEBVXURLTIZ-KRWDZBQOSA-N 2 0 302.466 2.509 20 0 DFADRP Cn1ccnc1[C@@H]([NH2+]CC1CC[NH+](CC2CC2)CC1)C1CC1 ZINC000658358073 430884983 /nfs/dbraw/zinc/88/49/83/430884983.db2.gz YIMMHCAGMSLBCN-KRWDZBQOSA-N 2 0 302.466 2.583 20 0 DFADRP OCC1CC([NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC000658357256 430885321 /nfs/dbraw/zinc/88/53/21/430885321.db2.gz UCFHRNNTWGQBQZ-DJPWPSDPSA-N 2 0 300.446 2.543 20 0 DFADRP [NH3+][C@@H]1CCC[C@H]([NH2+][C@@H]2CCCC[C@H]2NC(=O)c2ccccc2)C1 ZINC000665289762 430886093 /nfs/dbraw/zinc/88/60/93/430886093.db2.gz WPDGSBXYGDIOEE-XMTFNYHQSA-N 2 0 315.461 2.587 20 0 DFADRP CC[C@@H]1CC[C@@H](C)C[C@@H]1[NH2+]C1CCN(C(=O)CCC[NH2+]C)CC1 ZINC000665289162 430886377 /nfs/dbraw/zinc/88/63/77/430886377.db2.gz IBISMSWQNDWMEZ-NUJGCVRESA-N 2 0 323.525 2.781 20 0 DFADRP CC[N@@H+]1CC[C@@H]([NH2+]C[C@@H]2C[C@H](c3ccccc3)CO2)[C@@H](C)C1 ZINC000658205992 430841328 /nfs/dbraw/zinc/84/13/28/430841328.db2.gz GFJBAORYEQCZDP-DSLXNQLJSA-N 2 0 302.462 2.879 20 0 DFADRP C[C@H]([NH3+])[C@@H]1COCC[C@H]1[NH2+]C[C@@]1(c2ccccc2)CC1(C)C ZINC000665299306 430889919 /nfs/dbraw/zinc/88/99/19/430889919.db2.gz KERLXGQLIWYUFZ-ITQYTPKQSA-N 2 0 302.462 2.696 20 0 DFADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]C[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000665299914 430891232 /nfs/dbraw/zinc/89/12/32/430891232.db2.gz VILFNBNLIUCBCB-RHSMWYFYSA-N 3 0 316.493 2.621 20 0 DFADRP CC(C)C[N@H+](C)CCC[NH2+]C1CCN(CCC(F)(F)F)CC1 ZINC000651866180 430898317 /nfs/dbraw/zinc/89/83/17/430898317.db2.gz XTXMOQKGGWAHNM-UHFFFAOYSA-N 2 0 323.447 2.971 20 0 DFADRP C[NH+](C)CCOc1ccc(C[N@@H+]2CCC[C@]3(CCOC3)C2)cc1 ZINC000648814369 430900465 /nfs/dbraw/zinc/90/04/65/430900465.db2.gz KANABCZAIXVAKD-IBGZPJMESA-N 2 0 318.461 2.630 20 0 DFADRP C[C@H](C[NH+]1CCN([C@H]2CCC[N@H+](C)C2)CC1)C1CCCCC1 ZINC000645095049 430900730 /nfs/dbraw/zinc/90/07/30/430900730.db2.gz QXJPJULBVBQHHU-MJGOQNOKSA-N 2 0 307.526 2.915 20 0 DFADRP C[C@@H]1CC[N@H+](CC(=O)Nc2ccc3c(c2)CC[C@@H]3[NH+](C)C)C1 ZINC000655130785 430905281 /nfs/dbraw/zinc/90/52/81/430905281.db2.gz YOEJJDQNPAXOGX-DYVFJYSZSA-N 2 0 301.434 2.516 20 0 DFADRP c1cc([C@@H]2C[C@H]([NH2+][C@H]3CC[N@@H+]4CCC[C@@H]4C3)CCO2)ccn1 ZINC000651966099 430927666 /nfs/dbraw/zinc/92/76/66/430927666.db2.gz PDUVMBPBWWJLPG-MLHJIOFPSA-N 2 0 301.434 2.518 20 0 DFADRP CN(CC[NH+]1CCCCC1)Cc1ccc(OCC[NH+](C)C)cc1 ZINC000652057691 430950181 /nfs/dbraw/zinc/95/01/81/430950181.db2.gz QAGNXXLHAGWRDK-UHFFFAOYSA-N 2 0 319.493 2.545 20 0 DFADRP CC(C)(C)[N@@H+]1CC[C@@H](CNC(=O)Nc2ccc3c(c2)C[NH2+]C3)C1 ZINC000659021034 430941831 /nfs/dbraw/zinc/94/18/31/430941831.db2.gz AKPZENGQPZAFJO-ZDUSSCGKSA-N 2 0 316.449 2.532 20 0 DFADRP CC(C)[C@H]([NH3+])CC(=O)NCc1ccccc1C[NH+]1CCCCC1 ZINC000645226208 430942259 /nfs/dbraw/zinc/94/22/59/430942259.db2.gz NNVBBSMLQSYPGQ-GOSISDBHSA-N 2 0 317.477 2.662 20 0 DFADRP FC1(F)Oc2ccc(CC[NH2+][C@H]3CC[N@@H+]4CCC[C@H]4C3)cc2O1 ZINC000652038172 430942261 /nfs/dbraw/zinc/94/22/61/430942261.db2.gz LRMJWILURXFXIJ-KBPBESRZSA-N 2 0 324.371 2.767 20 0 DFADRP O[C@@H]1CC[N@@H+](C2CC[NH+](CC/C=C\c3ccccc3)CC2)C1 ZINC000662150307 430979487 /nfs/dbraw/zinc/97/94/87/430979487.db2.gz USILXXJXYCQFKP-LKJUBWIJSA-N 2 0 300.446 2.621 20 0 DFADRP O[C@@H]1CC[N@@H+](C2CC[NH+](CC/C=C/c3ccccc3)CC2)C1 ZINC000662150308 430980508 /nfs/dbraw/zinc/98/05/08/430980508.db2.gz USILXXJXYCQFKP-RRGNZLCHSA-N 2 0 300.446 2.621 20 0 DFADRP CC[C@H](c1ccc(F)cc1F)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000662152505 430980854 /nfs/dbraw/zinc/98/08/54/430980854.db2.gz GQUTXIHYGGUQOT-CRAIPNDOSA-N 2 0 324.415 2.947 20 0 DFADRP CC(C)C[N@H+](C)CCC[NH2+][C@H](C)c1cccc(-n2ccnn2)c1 ZINC000652222008 430991461 /nfs/dbraw/zinc/99/14/61/430991461.db2.gz CJZLAQNIRQGTCQ-MRXNPFEDSA-N 2 0 315.465 2.896 20 0 DFADRP C[C@H](c1cc2ccccc2o1)[N@H+](C)C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662249019 431012059 /nfs/dbraw/zinc/01/20/59/431012059.db2.gz NJVKTWBJWXJDPF-HIFRSBDPSA-N 2 0 300.402 2.947 20 0 DFADRP CC(C)[C@@H](Cc1ccc(F)cc1)[N@H+](C)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662257897 431019821 /nfs/dbraw/zinc/01/98/21/431019821.db2.gz SUFACQAURJPHBK-QZTJIDSGSA-N 2 0 320.452 2.846 20 0 DFADRP c1cc(CN2CCC[C@@H]2C[NH+]2CCCCC2)c2c(c1)C[NH2+]CC2 ZINC000662259898 431019876 /nfs/dbraw/zinc/01/98/76/431019876.db2.gz DJHBIBOOODKFND-LJQANCHMSA-N 2 0 313.489 2.783 20 0 DFADRP C[C@H]1CC(C)(C)C[C@@](CO)([NH2+]Cc2cccc3c2CC[NH2+]C3)C1 ZINC000662258546 431020082 /nfs/dbraw/zinc/02/00/82/431020082.db2.gz JRXKZVMEENCPHZ-YWZLYKJASA-N 2 0 316.489 2.999 20 0 DFADRP c1cc(C[N@H+]2CC[C@H](C[NH+]3CCCCC3)C2)c2c(c1)C[NH2+]CC2 ZINC000662266131 431022786 /nfs/dbraw/zinc/02/27/86/431022786.db2.gz XXLIXFQPPNXPRN-QGZVFWFLSA-N 3 0 313.489 2.640 20 0 DFADRP C[N@H+](CCc1ccc2c(c1)OC(F)(F)O2)[C@H]1CCC[NH2+]CC1 ZINC000662267344 431025532 /nfs/dbraw/zinc/02/55/32/431025532.db2.gz UFTKXIGUFHINJH-ZDUSSCGKSA-N 2 0 312.360 2.625 20 0 DFADRP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCC[N@H+](CCCc3ccccc3)C2)C1 ZINC000652345899 431026094 /nfs/dbraw/zinc/02/60/94/431026094.db2.gz ONUVWPDNCPVXHW-GUDVDZBRSA-N 2 0 302.462 2.838 20 0 DFADRP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCC[N@H+](CCCc3cccc(F)c3)C2)C1 ZINC000652349470 431028240 /nfs/dbraw/zinc/02/82/40/431028240.db2.gz PHLBVHNNUYXTQE-QXAKKESOSA-N 2 0 320.452 2.977 20 0 DFADRP CC(C)[C@@H]([NH3+])CC(=O)Nc1ccc2ccn(CC[NH+](C)C)c2c1 ZINC000649338914 431069394 /nfs/dbraw/zinc/06/93/94/431069394.db2.gz NLJWYCVNNZWIAP-INIZCTEOSA-N 2 0 316.449 2.515 20 0 DFADRP CCc1nc2c(s1)[C@@H]([N@H+](C)C[C@@H]1CCC3(C[NH2+]C3)O1)CCC2 ZINC000662278278 431030887 /nfs/dbraw/zinc/03/08/87/431030887.db2.gz DPJVIZXFDMVZFC-JSGCOSHPSA-N 2 0 321.490 2.536 20 0 DFADRP CCC[C@@H]([NH2+]C[C@H]1CCC2(C[NH2+]C2)O1)c1ccc(F)cc1F ZINC000662283523 431032832 /nfs/dbraw/zinc/03/28/32/431032832.db2.gz USQRFXJWALFDDA-CZUORRHYSA-N 2 0 310.388 2.917 20 0 DFADRP Cc1cnc(CC[N@@H+](C)Cc2cccc3c2CC[NH2+]C3)s1 ZINC000662279648 431032881 /nfs/dbraw/zinc/03/28/81/431032881.db2.gz WLXOZEUBJOMWLV-UHFFFAOYSA-N 2 0 301.459 2.772 20 0 DFADRP c1ccc([C@@H]2C[C@H]3[C@H](CCC[N@H+]3CC[C@@H]3CC[NH2+]C3)O2)cc1 ZINC000652364264 431032923 /nfs/dbraw/zinc/03/29/23/431032923.db2.gz BUOBUQJGFKPILF-WNHJNPCNSA-N 2 0 300.446 2.981 20 0 DFADRP CC[C@H](CC(F)F)C[NH+]1CCC([C@H]2OCCC[C@H]2[NH3+])CC1 ZINC000662281904 431033551 /nfs/dbraw/zinc/03/35/51/431033551.db2.gz MJSHDRIPLFCAJH-XNRPHZJLSA-N 2 0 304.425 2.886 20 0 DFADRP CCC(C)(C)[NH+]1CCN(Cc2cccc3c2CC[NH2+]C3)CC1 ZINC000662284945 431034266 /nfs/dbraw/zinc/03/42/66/431034266.db2.gz RXJWXGQATXEFIS-UHFFFAOYSA-N 2 0 301.478 2.639 20 0 DFADRP C[C@H](C(=O)NC1CCCCC1)[NH+]1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000662290639 431034540 /nfs/dbraw/zinc/03/45/40/431034540.db2.gz HDAQSOLDMPUCHD-NVXWUHKLSA-N 2 0 321.509 2.535 20 0 DFADRP CC[NH+](CC)Cc1cccc(CNC(=O)C[C@H]([NH3+])C(C)C)c1 ZINC000645575944 431034713 /nfs/dbraw/zinc/03/47/13/431034713.db2.gz BKGOFLVMUBSAHO-KRWDZBQOSA-N 2 0 305.466 2.518 20 0 DFADRP COc1ccccc1OCC[NH+]1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000662291365 431035647 /nfs/dbraw/zinc/03/56/47/431035647.db2.gz FQXPBTJEGSTISJ-KRWDZBQOSA-N 2 0 318.461 2.786 20 0 DFADRP CC[C@H]([NH2+]C)C(=O)NCc1ccc(C[N@@H+]2CCCC[C@H]2C)cc1 ZINC000662389515 431069569 /nfs/dbraw/zinc/06/95/69/431069569.db2.gz YGLGJKUAPAISBB-QAPCUYQASA-N 2 0 317.477 2.675 20 0 DFADRP C[C@H](C(=O)Nc1ccccc1)[NH+]1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000662290394 431036409 /nfs/dbraw/zinc/03/64/09/431036409.db2.gz SPIHAQJOZPGLIL-NVXWUHKLSA-N 2 0 315.461 2.725 20 0 DFADRP [NH3+][C@H]1CCc2ccccc2N(Cc2ccc3c(c2)C[NH2+]CC3)C1 ZINC000662300724 431038105 /nfs/dbraw/zinc/03/81/05/431038105.db2.gz HWYKJUJMFIYBAJ-IBGZPJMESA-N 2 0 307.441 2.612 20 0 DFADRP COc1ccccc1OCC[N@@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662296480 431038150 /nfs/dbraw/zinc/03/81/50/431038150.db2.gz KZKUEMLBRPGQNV-KRWDZBQOSA-N 2 0 318.461 2.786 20 0 DFADRP [NH3+]C[C@H]1CCc2ccccc2N1Cc1cccc2c1CC[NH2+]C2 ZINC000662305450 431040744 /nfs/dbraw/zinc/04/07/44/431040744.db2.gz RLKYDERZFXIVOA-GOSISDBHSA-N 2 0 307.441 2.612 20 0 DFADRP C[C@@H]1CCC[N@H+](CC(=O)NC2CCCCCC2)[C@@H]1CCC[NH3+] ZINC000662312981 431041207 /nfs/dbraw/zinc/04/12/07/431041207.db2.gz DMSJJSIVWVRTEQ-NVXWUHKLSA-N 2 0 309.498 2.665 20 0 DFADRP CN(CCc1ccccc1)[C@H]1CC[N@H+](CC[C@@H]2CCC[NH2+]C2)C1 ZINC000662307562 431042285 /nfs/dbraw/zinc/04/22/85/431042285.db2.gz XKUXCELMKDIIIV-PMACEKPBSA-N 2 0 315.505 2.625 20 0 DFADRP C[C@@H]1CCCN(C(=O)CC[C@H]([NH3+])c2ccccc2)[C@@H]1CCC[NH3+] ZINC000659377127 431043217 /nfs/dbraw/zinc/04/32/17/431043217.db2.gz UKKMOFAYDOSKKH-BPQIPLTHSA-N 2 0 317.477 2.833 20 0 DFADRP CC[NH+](CC)[C@@H](CNC(=O)[C@H]1[NH2+]CCC1(C)C)c1ccccc1 ZINC000662391643 431069836 /nfs/dbraw/zinc/06/98/36/431069836.db2.gz DSXFRYDRIZMRJS-DLBZAZTESA-N 2 0 317.477 2.574 20 0 DFADRP CCN(C(=O)C[N@@H+]1CCC[C@@H](C)[C@H]1CCC[NH3+])c1ccccc1 ZINC000662313462 431044096 /nfs/dbraw/zinc/04/40/96/431044096.db2.gz QCUOMMRMGRETEK-SJLPKXTDSA-N 2 0 317.477 2.879 20 0 DFADRP COc1cccc(CCC[N@@H+]2CCO[C@H](CCC[NH+](C)C)C2)c1 ZINC000662320117 431046048 /nfs/dbraw/zinc/04/60/48/431046048.db2.gz PYNSYNFCZWWZQE-LJQANCHMSA-N 2 0 320.477 2.670 20 0 DFADRP C[C@@H]1CCCC[N@@H+]1CCCNC(=O)[C@@H]([NH3+])c1cccc(Cl)c1 ZINC000649280908 431054612 /nfs/dbraw/zinc/05/46/12/431054612.db2.gz UBCPNODBSYBIHL-CJNGLKHVSA-N 2 0 323.868 2.721 20 0 DFADRP CC(C)([NH3+])CCC(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000649278988 431055135 /nfs/dbraw/zinc/05/51/35/431055135.db2.gz QBAJFMWOILVTBB-ZDUSSCGKSA-N 2 0 309.479 2.519 20 0 DFADRP [NH3+]C[C@H]1CCC[C@@H]1C(=O)Nc1cccc(C[NH+]2CCCCC2)c1 ZINC000649295491 431061476 /nfs/dbraw/zinc/06/14/76/431061476.db2.gz OSHXDWIMYAJAKI-AEFFLSMTSA-N 2 0 315.461 2.986 20 0 DFADRP CC(C)[N@H+](C)Cc1cccc(CNC(=O)[C@@H]2CCCCC[NH2+]2)c1 ZINC000649306871 431061917 /nfs/dbraw/zinc/06/19/17/431061917.db2.gz VTCCJFIEKMVQHT-SFHVURJKSA-N 2 0 317.477 2.675 20 0 DFADRP O=C(Nc1ccc(C[NH+]2CCCC2)cc1)[C@H]1C[C@@]12CCC[NH2+]C2 ZINC000655610340 431062234 /nfs/dbraw/zinc/06/22/34/431062234.db2.gz OBLPUPOVBVLBKV-IEBWSBKVSA-N 2 0 313.445 2.611 20 0 DFADRP CC[NH+](CC)CCN(Cc1ccccc1)C(=O)C[C@@H]([NH3+])C(C)C ZINC000649309948 431062582 /nfs/dbraw/zinc/06/25/82/431062582.db2.gz LTFWXSLORQFYCU-GOSISDBHSA-N 2 0 319.493 2.730 20 0 DFADRP C[C@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)CCC(C)(C)[NH3+])C1 ZINC000649311339 431063130 /nfs/dbraw/zinc/06/31/30/431063130.db2.gz IWMCCJDODVHXBF-JKSUJKDBSA-N 2 0 309.498 2.617 20 0 DFADRP [NH3+][C@@H](CC1CCCCC1)C(=O)Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000649319223 431065973 /nfs/dbraw/zinc/06/59/73/431065973.db2.gz PTLPQOZHAWBFQD-INIZCTEOSA-N 2 0 313.405 2.504 20 0 DFADRP CC[NH+]1CCC(CCNC(=O)[C@H]([NH3+])c2cccc(Cl)c2)CC1 ZINC000649331912 431067444 /nfs/dbraw/zinc/06/74/44/431067444.db2.gz GRFYMKLGEDVGDH-MRXNPFEDSA-N 2 0 323.868 2.578 20 0 DFADRP C[C@H]([NH2+]C(C)(C)CNC(=O)[C@@H]1CCC[C@H]1C[NH3+])c1ccccc1 ZINC000649322221 431068327 /nfs/dbraw/zinc/06/83/27/431068327.db2.gz GRFZGQZYYOCLSK-BHYGNILZSA-N 2 0 317.477 2.607 20 0 DFADRP CC[C@H]([NH2+]C)C(=O)NCc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000662386462 431068465 /nfs/dbraw/zinc/06/84/65/431068465.db2.gz AJMSONACXSZWDM-QAPCUYQASA-N 2 0 317.477 2.533 20 0 DFADRP C[N@@H+](Cc1cccc2c1CC[NH2+]C2)C[C@H]1COc2ccccc2O1 ZINC000662249651 431013662 /nfs/dbraw/zinc/01/36/62/431013662.db2.gz RKUSGIGKXSXBEG-KRWDZBQOSA-N 2 0 324.424 2.604 20 0 DFADRP C[C@H]([NH3+])C1CC[NH+](Cc2cc(F)ccc2OC(F)F)CC1 ZINC000662247508 431013680 /nfs/dbraw/zinc/01/36/80/431013680.db2.gz WPQBEYYIJYAGMK-JTQLQIEISA-N 2 0 302.340 2.986 20 0 DFADRP OC[C@H](CCF)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H]2CCC[C@@H]21 ZINC000652300575 431013768 /nfs/dbraw/zinc/01/37/68/431013768.db2.gz HBIJYNNXSVQCBM-MANSERQUSA-N 2 0 320.452 2.740 20 0 DFADRP C[N@@H+](Cc1ccc(C(F)(F)F)cc1)C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662248688 431013927 /nfs/dbraw/zinc/01/39/27/431013927.db2.gz ASMRLFMRGNKRCI-AWEZNQCLSA-N 2 0 314.351 2.658 20 0 DFADRP C[N@H+](Cc1cccc2c1CC[NH2+]C2)[C@H](CCO)c1ccccc1 ZINC000662254749 431014716 /nfs/dbraw/zinc/01/47/16/431014716.db2.gz KYQBSLVLLMBBNE-HXUWFJFHSA-N 2 0 310.441 2.888 20 0 DFADRP C[C@@H]1SCC[N@H+](C[C@@H]2CCC3(C[NH2+]C3)O2)[C@@H]1c1ccccc1 ZINC000662254980 431014845 /nfs/dbraw/zinc/01/48/45/431014845.db2.gz NDDBVYOZPUSBGL-XIRDDKMYSA-N 2 0 318.486 2.686 20 0 DFADRP Clc1ccc([C@@H]2CCC[N@@H+]2C[C@@H]2CCC3(C[NH2+]C3)O2)cc1 ZINC000662251137 431015632 /nfs/dbraw/zinc/01/56/32/431015632.db2.gz ZVFMXXXNLQINFA-HOTGVXAUSA-N 2 0 306.837 2.998 20 0 DFADRP C[C@@H]1CC[N@H+](C[C@H]2CCC3(C[NH2+]C3)O2)[C@@H]1c1cccc(F)c1 ZINC000662256245 431018548 /nfs/dbraw/zinc/01/85/48/431018548.db2.gz HQQSCZHHDJIFFB-XYPHTWIQSA-N 2 0 304.409 2.730 20 0 DFADRP Cc1cccc([C@H]2CCC[N@@H+]2C[C@@H]2CCC3(C[NH2+]C3)O2)c1C ZINC000662256230 431018992 /nfs/dbraw/zinc/01/89/92/431018992.db2.gz JOJUBPZCXDXKNX-FUHWJXTLSA-N 2 0 300.446 2.961 20 0 DFADRP C[C@H](c1ccccc1)[C@@H](O)C[N@H+](C)C[C@@H]1CCc2nccn2C1 ZINC000649460625 431108626 /nfs/dbraw/zinc/10/86/26/431108626.db2.gz DEVDJMVETWPBEU-RYRKJORJSA-N 2 0 313.445 2.542 20 0 DFADRP COc1ccc([C@@H](C)[NH2+]CC(C)(C)N2CC[NH+](C)CC2)c(C)c1 ZINC000666082379 431109265 /nfs/dbraw/zinc/10/92/65/431109265.db2.gz XAVXQTSJMQCQLR-MRXNPFEDSA-N 2 0 319.493 2.680 20 0 DFADRP C[NH+](C)Cc1cccc(NC2CC[NH+](C[C@H]3CCCO3)CC2)c1 ZINC000655745211 431110074 /nfs/dbraw/zinc/11/00/74/431110074.db2.gz FZGRXHLLCIDZJG-LJQANCHMSA-N 2 0 317.477 2.804 20 0 DFADRP C[C@@H](NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1)c1ccn(C)n1 ZINC000666086458 431110885 /nfs/dbraw/zinc/11/08/85/431110885.db2.gz SJXIXDWYOLCPAW-AEFFLSMTSA-N 2 0 312.461 2.983 20 0 DFADRP C[C@H]([NH2+]C(C)(C)CNC(=O)CC1([NH3+])CCC1)c1ccccc1 ZINC000645927533 431117077 /nfs/dbraw/zinc/11/70/77/431117077.db2.gz QOQXOLUIMUJMBU-AWEZNQCLSA-N 2 0 303.450 2.504 20 0 DFADRP CCC[N@H+](C)C[C@H]1CCN(C(=O)[C@H]([NH3+])c2cccc(Cl)c2)C1 ZINC000649343945 431071031 /nfs/dbraw/zinc/07/10/31/431071031.db2.gz HSMWAZQETHCXEE-CZUORRHYSA-N 2 0 323.868 2.530 20 0 DFADRP CCC[N@H+](C)C[C@@H]1CCN(C(=O)[C@@H]([NH3+])c2cccc(Cl)c2)C1 ZINC000649343943 431071082 /nfs/dbraw/zinc/07/10/82/431071082.db2.gz HSMWAZQETHCXEE-BBRMVZONSA-N 2 0 323.868 2.530 20 0 DFADRP CC[NH+](CC)C[C@H](C)NC(=O)c1ccc2c(c1)[C@@H](C[NH3+])CCC2 ZINC000662416445 431076041 /nfs/dbraw/zinc/07/60/41/431076041.db2.gz YGFPMYCRCUBVBR-WMLDXEAASA-N 2 0 317.477 2.525 20 0 DFADRP CC(C)[NH2+]CC(=O)NCc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000662421968 431078019 /nfs/dbraw/zinc/07/80/19/431078019.db2.gz GTJFUFZFHGGQKC-UHFFFAOYSA-N 2 0 317.477 2.677 20 0 DFADRP CC(C)[NH2+]CC(=O)NCc1cccc(C[NH+]2CCCCCC2)c1 ZINC000662426083 431078433 /nfs/dbraw/zinc/07/84/33/431078433.db2.gz SGTQOBPPVJQVLU-UHFFFAOYSA-N 2 0 317.477 2.677 20 0 DFADRP CC[NH+](CC)Cc1ccc(C(=O)N[C@H]2CC[NH2+]C3(CCC3)C2)o1 ZINC000649370349 431078728 /nfs/dbraw/zinc/07/87/28/431078728.db2.gz MDMGZTIOQKPADY-AWEZNQCLSA-N 2 0 319.449 2.526 20 0 DFADRP C[C@@H]1CCCC[N@@H+]1CCC1CCN(C(=O)CC(C)(C)[NH3+])CC1 ZINC000649378699 431081280 /nfs/dbraw/zinc/08/12/80/431081280.db2.gz XKQGOVIKUUMPRA-OAHLLOKOSA-N 2 0 309.498 2.617 20 0 DFADRP C[N@@H+]1CCC[C@@H](N2CC[NH+](CCc3ccc(Cl)cc3)CC2)C1 ZINC000649382130 431083283 /nfs/dbraw/zinc/08/32/83/431083283.db2.gz MWFYXIPMGBPCMZ-GOSISDBHSA-N 2 0 321.896 2.594 20 0 DFADRP CC[NH+]1CCN([C@@H](C)C[NH2+][C@H]2CCc3cc(C)cc(C)c32)CC1 ZINC000655690077 431084883 /nfs/dbraw/zinc/08/48/83/431084883.db2.gz USSKCZVXYYEGCQ-HKUYNNGSSA-N 2 0 315.505 2.906 20 0 DFADRP C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)C[C@H]1[NH2+]Cc2ccccc21 ZINC000662450614 431085640 /nfs/dbraw/zinc/08/56/40/431085640.db2.gz UBQPXBPCWUJGNL-IIDMSEBBSA-N 2 0 315.461 2.600 20 0 DFADRP CC[C@@H]([NH2+]C)C(=O)NCc1ccccc1C[NH+]1CCCCCC1 ZINC000662459853 431087518 /nfs/dbraw/zinc/08/75/18/431087518.db2.gz DFDYJTIQTFFQAQ-GOSISDBHSA-N 2 0 317.477 2.677 20 0 DFADRP C(C[C@H]1CCOC1)C[NH+]1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000645849663 431090139 /nfs/dbraw/zinc/09/01/39/431090139.db2.gz UHIDAFDAGAZPOA-IBGZPJMESA-N 2 0 324.509 2.628 20 0 DFADRP CCN(C[C@@H]1CC[NH2+]C1)[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000649411855 431092952 /nfs/dbraw/zinc/09/29/52/431092952.db2.gz JYBXDDNGRYZOPN-SCTDSRPQSA-N 2 0 301.478 2.753 20 0 DFADRP Cc1cc2c(c(C)c1)[C@H]([NH2+][C@H](C)CN1CC[NH+](C)CC1)CC2 ZINC000655711200 431093302 /nfs/dbraw/zinc/09/33/02/431093302.db2.gz GISDXNVTHFZISB-SJLPKXTDSA-N 2 0 301.478 2.516 20 0 DFADRP CCCN(C[C@@H]1CC[NH2+]C1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000649411911 431093919 /nfs/dbraw/zinc/09/39/19/431093919.db2.gz TVEYAQWXLWDVJN-UXHICEINSA-N 2 0 315.505 2.973 20 0 DFADRP Cc1cc(C)n([C@@H]2CCC[N@H+](CCCC3CC[NH2+]CC3)C2)n1 ZINC000649413130 431094182 /nfs/dbraw/zinc/09/41/82/431094182.db2.gz MTRMDMUQJWBVJO-GOSISDBHSA-N 2 0 304.482 2.917 20 0 DFADRP Oc1cccc2c1CC[C@H]2[NH2+]C1CCN(C[C@@H]2CCCO2)CC1 ZINC000655714341 431094311 /nfs/dbraw/zinc/09/43/11/431094311.db2.gz AYMXDUHYPPWPLB-MAUKXSAKSA-N 2 0 316.445 2.613 20 0 DFADRP CCc1cnc(N2CC[NH+](CCCC3CC[NH2+]CC3)CC2)s1 ZINC000649413607 431094486 /nfs/dbraw/zinc/09/44/86/431094486.db2.gz PRGXTZWAQDWALO-UHFFFAOYSA-N 2 0 322.522 2.607 20 0 DFADRP CC(C)(C)[N@@H+]1CC[C@H](CNC(=O)[C@H]2CCCCCC[C@H]2[NH3+])C1 ZINC000662592678 431125818 /nfs/dbraw/zinc/12/58/18/431125818.db2.gz JNIGIMDLLGNMGJ-OWCLPIDISA-N 2 0 309.498 2.521 20 0 DFADRP C[NH2+]Cc1ccccc1NC(=O)NCCC[N@H+](C)CC(C)C ZINC000652609883 431099110 /nfs/dbraw/zinc/09/91/10/431099110.db2.gz CYQGDKHDFXZLAY-UHFFFAOYSA-N 2 0 306.454 2.505 20 0 DFADRP CC[C@@H](NC1CC[NH+](C[C@@H]2CCCO2)CC1)c1nccs1 ZINC000655725914 431101274 /nfs/dbraw/zinc/10/12/74/431101274.db2.gz NLQLDVSNJABIEM-LSDHHAIUSA-N 2 0 309.479 2.827 20 0 DFADRP CC[N@H+](CCCNC(=O)[C@H]1CCC[NH+]1C1CC1)C1CCCCC1 ZINC000652756866 431126118 /nfs/dbraw/zinc/12/61/18/431126118.db2.gz WXNWFQPMIOQXHQ-GOSISDBHSA-N 2 0 321.509 2.774 20 0 DFADRP CN(Cc1cccnc1)C[C@@H]1CC[N@H+](CCC[C@H]2CCOC2)C1 ZINC000645895055 431104208 /nfs/dbraw/zinc/10/42/08/431104208.db2.gz URYPBTCPXLAZNK-HKUYNNGSSA-N 2 0 317.477 2.652 20 0 DFADRP CC[NH+](CC)CCC[C@H](C)NC(=O)c1cc2c(s1)CC[NH2+]C2 ZINC000662524716 431104400 /nfs/dbraw/zinc/10/44/00/431104400.db2.gz ZDNZBXAVGNEHJK-ZDUSSCGKSA-N 2 0 323.506 2.634 20 0 DFADRP CC[NH+](CC)CCC[C@H](C)NC(=O)c1cccc2c1C[NH2+]C2 ZINC000662523247 431105295 /nfs/dbraw/zinc/10/52/95/431105295.db2.gz KUWXUJWYZWWAHL-AWEZNQCLSA-N 2 0 303.450 2.530 20 0 DFADRP C[C@H](c1ccccc1)[C@@H](O)C[N@H+](C)C[C@H]1CCc2nccn2C1 ZINC000649460624 431107964 /nfs/dbraw/zinc/10/79/64/431107964.db2.gz DEVDJMVETWPBEU-NUJGCVRESA-N 2 0 313.445 2.542 20 0 DFADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]CCc1cc(F)cc2c1OCOC2 ZINC000120696941 288106503 /nfs/dbraw/zinc/10/65/03/288106503.db2.gz QYYAUMOBJUNJOP-PBFPGSCMSA-N 2 0 322.424 2.553 20 0 DFADRP CC[NH+](CC)Cc1cccc(CNC(=O)[C@@]2(C)CCC[NH2+]C2)c1 ZINC000236923630 279137810 /nfs/dbraw/zinc/13/78/10/279137810.db2.gz CYIJIRIOEBRASL-IBGZPJMESA-N 2 0 317.477 2.534 20 0 DFADRP CC[NH+](CC)[C@H](CNC(=O)[C@@H]1CCC[NH2+]1)c1ccccc1Cl ZINC000236880547 279163852 /nfs/dbraw/zinc/16/38/52/279163852.db2.gz GROHNKHBPXCJBV-JKSUJKDBSA-N 2 0 323.868 2.591 20 0 DFADRP CC[NH+](CC)[C@H](CN[C@@H]1CC[N@H+](C)C[C@H]1C)c1ccccc1 ZINC000359388549 279165317 /nfs/dbraw/zinc/16/53/17/279165317.db2.gz ZSASUATUWNNQSX-BHIYHBOVSA-N 2 0 303.494 2.999 20 0 DFADRP CC[N@@H+]1CCCC[C@@H]1C(=O)NCCCC[NH+]1CCCC[C@@H]1C ZINC000104145391 279266953 /nfs/dbraw/zinc/26/69/53/279266953.db2.gz TXJSLPRYNXDJIK-DLBZAZTESA-N 2 0 309.498 2.632 20 0 DFADRP C[C@H](C[N@H+](C)Cc1ccccc1)NC1CC[NH+](C2CC2)CC1 ZINC000297527047 279283589 /nfs/dbraw/zinc/28/35/89/279283589.db2.gz XHVHSIGCUZSQRK-MRXNPFEDSA-N 2 0 301.478 2.723 20 0 DFADRP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@H]1CC[C@@H](C)c2ccccc21 ZINC000247972663 279313678 /nfs/dbraw/zinc/31/36/78/279313678.db2.gz HMHQSZVHFHFYHA-MDZRGWNJSA-N 2 0 301.478 2.851 20 0 DFADRP C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C[C@H]([NH3+])c1ccccc1 ZINC000263370710 279322929 /nfs/dbraw/zinc/32/29/29/279322929.db2.gz XZAMSJKPMYJAIV-HPFXQQBRSA-N 2 0 317.477 2.559 20 0 DFADRP C[C@H](CN[C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1)[NH+](C)C1CC1 ZINC000274928849 279348427 /nfs/dbraw/zinc/34/84/27/279348427.db2.gz QNICHMBJEQLARC-ZIFCJYIRSA-N 2 0 315.505 2.969 20 0 DFADRP CCCC[N@H+](C)CC1CCN(C(=O)C2([NH2+]C3CC3)CCC2)CC1 ZINC000662683558 431162847 /nfs/dbraw/zinc/16/28/47/431162847.db2.gz PFSNQBLWQAGJEC-UHFFFAOYSA-N 2 0 321.509 2.632 20 0 DFADRP CC1(C)CC[NH2+][C@H]1C(=O)Nc1cccc(C[NH+]2CCCCC2)c1 ZINC000662683061 431162902 /nfs/dbraw/zinc/16/29/02/431162902.db2.gz MVFPRORNKUDVSY-KRWDZBQOSA-N 2 0 315.461 2.999 20 0 DFADRP C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)C2([NH2+]C3CC3)CCC2)C1 ZINC000662695309 431164878 /nfs/dbraw/zinc/16/48/78/431164878.db2.gz JMQWDJOTMJHOBS-HUUCEWRRSA-N 2 0 321.509 2.534 20 0 DFADRP C[NH+](C)[C@H]1C[C@@H](C[NH2+]Cc2cc(Cl)c3c(c2)OCCO3)C1 ZINC000655825254 431171409 /nfs/dbraw/zinc/17/14/09/431171409.db2.gz ASWUTPNYRQJPTF-BJHJDKERSA-N 2 0 310.825 2.541 20 0 DFADRP C[C@H]([NH2+]C1(CNC(=O)CC2([NH3+])CC2)CCCC1)c1ccccc1 ZINC000662729035 431176152 /nfs/dbraw/zinc/17/61/52/431176152.db2.gz FZWUDTFVKGOYPJ-HNNXBMFYSA-N 2 0 315.461 2.648 20 0 DFADRP CC(C)[N@H+](C)C[C@@H](O)C[NH+]1CCC[C@@H](Cc2ccccc2)C1 ZINC000659902775 431181407 /nfs/dbraw/zinc/18/14/07/431181407.db2.gz BUUHOWTXCMHLPN-RBUKOAKNSA-N 2 0 304.478 2.642 20 0 DFADRP Cc1cc[nH+]c(NC[C@H]2CC[N@H+](CCO[C@@H]3CC3(F)F)C2)c1 ZINC000659906753 431182773 /nfs/dbraw/zinc/18/27/73/431182773.db2.gz PGJIEYTVKVZAIJ-ZIAGYGMSSA-N 2 0 311.376 2.548 20 0 DFADRP CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)C[C@H]1[NH2+]Cc2ccccc21 ZINC000662745331 431183135 /nfs/dbraw/zinc/18/31/35/431183135.db2.gz LYWSZXABKNICOU-SJLPKXTDSA-N 2 0 315.461 2.554 20 0 DFADRP CCCc1ccc(C[N@@H+]2CCOC3(CC[NH+](C)CC3)C2)cc1 ZINC000646103709 431186908 /nfs/dbraw/zinc/18/69/08/431186908.db2.gz MADRGDWJUJXABV-UHFFFAOYSA-N 2 0 302.462 2.936 20 0 DFADRP [NH3+]C[C@@H](NC(=O)C1([NH2+]C2CC2)CCC1)c1ccc2ccccc2c1 ZINC000662774526 431190963 /nfs/dbraw/zinc/19/09/63/431190963.db2.gz NBPFBPYPEZSXBJ-GOSISDBHSA-N 2 0 323.440 2.631 20 0 DFADRP COc1ccc(C[C@H](C)[NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)c(C)c1OC ZINC000655804016 431153311 /nfs/dbraw/zinc/15/33/11/431153311.db2.gz LWWAPEDTUFVFGC-JLJPHGGASA-N 2 0 320.477 2.873 20 0 DFADRP CCCN(Cc1ccc(OC)cc1)C[C@H](O)C[N@H+](C)C(C)C ZINC000659858125 431154198 /nfs/dbraw/zinc/15/41/98/431154198.db2.gz BVRDINNUCSLWEU-QGZVFWFLSA-N 2 0 308.466 2.608 20 0 DFADRP CC[C@@H]([NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1)c1ccc2c(c1)OCCO2 ZINC000655805045 431154547 /nfs/dbraw/zinc/15/45/47/431154547.db2.gz AFQXUVBSJPRZIB-VNQPRFMTSA-N 2 0 304.434 2.839 20 0 DFADRP C[C@H]1CCC[C@H]([NH+]2CCC([NH2+]C[C@H]3C[C@@H]([NH+](C)C)C3)CC2)C1 ZINC000655806297 431156440 /nfs/dbraw/zinc/15/64/40/431156440.db2.gz UPERZCQLRZHOPF-PBWTXFEYSA-N 3 0 307.526 2.959 20 0 DFADRP C[C@H](CC(=O)N[C@H]1CC[N@@H+](C2CCCCC2)C1)C1CC[NH2+]CC1 ZINC000662669460 431156518 /nfs/dbraw/zinc/15/65/18/431156518.db2.gz ZNFKQPAGONGTHO-WBVHZDCISA-N 2 0 321.509 2.535 20 0 DFADRP COCCOc1ccc([C@@H](C)[NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)cc1 ZINC000655805649 431156809 /nfs/dbraw/zinc/15/68/09/431156809.db2.gz JSJSQXYAXFMIQY-INMHGKMJSA-N 2 0 306.450 2.703 20 0 DFADRP C[C@H]([NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000655805364 431157453 /nfs/dbraw/zinc/15/74/53/431157453.db2.gz GRQJEFLFYSPRDM-KCQAQPDRSA-N 2 0 315.461 2.907 20 0 DFADRP COC[C@@H](C)[NH2+]Cc1cc(Cl)cc(C[NH2+][C@H](C)COC)c1 ZINC000649555298 431157983 /nfs/dbraw/zinc/15/79/83/431157983.db2.gz KHDWXBAXQKPTPY-CHWSQXEVSA-N 2 0 314.857 2.589 20 0 DFADRP COc1cccc(C[C@H]([NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)C2CC2)c1 ZINC000655805805 431158345 /nfs/dbraw/zinc/15/83/45/431158345.db2.gz SFYYMCFBLMMGGC-WDYCEAGBSA-N 2 0 302.462 2.946 20 0 DFADRP C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)CC2([NH3+])CC2)cc1 ZINC000662676170 431160302 /nfs/dbraw/zinc/16/03/02/431160302.db2.gz SPPPUAUNZFDQON-OAHLLOKOSA-N 2 0 315.461 2.559 20 0 DFADRP CC[NH+](CC)Cc1cccc(CNC(=O)[C@H]2[NH2+]CCC2(C)C)c1 ZINC000662676112 431160616 /nfs/dbraw/zinc/16/06/16/431160616.db2.gz YRNOGFPNHNYNSL-QGZVFWFLSA-N 2 0 317.477 2.533 20 0 DFADRP [NH3+]CCC[C@@H](NC(=O)c1cccc2c1CC[NH2+]C2)c1ccccc1 ZINC000662815192 431202956 /nfs/dbraw/zinc/20/29/56/431202956.db2.gz NTKNTJANICQIOF-LJQANCHMSA-N 2 0 323.440 2.542 20 0 DFADRP C(C[NH+]1CCCC1)OC1CC[NH+](C[C@@H]2CC[C@@H]3C[C@@H]3C2)CC1 ZINC000659975555 431215362 /nfs/dbraw/zinc/21/53/62/431215362.db2.gz XGTHBWHMKJNPMD-KURKYZTESA-N 2 0 306.494 2.999 20 0 DFADRP CC(C)[N@@H+]1[C@@H]2CC[C@H]1CN(CC[NH+]1C[C@H](C)C[C@@H](C)C1)CC2 ZINC000659975186 431216519 /nfs/dbraw/zinc/21/65/19/431216519.db2.gz VNDUEIHLYFENAM-MKXGPGLRSA-N 2 0 307.526 2.911 20 0 DFADRP C[C@@H](CCC(C)(C)C)[NH2+]CC(=O)NCC[NH+]1CCCCCC1 ZINC000646215343 431228158 /nfs/dbraw/zinc/22/81/58/431228158.db2.gz VNSBQYREUINDGD-INIZCTEOSA-N 2 0 311.514 2.783 20 0 DFADRP C[C@H]([NH2+][C@H]1CCCC[C@@H]1O)c1cccc(OCC[NH+](C)C)c1 ZINC000187885041 279533791 /nfs/dbraw/zinc/53/37/91/279533791.db2.gz PAXTXTXBISOWJQ-WBAXXEDZSA-N 2 0 306.450 2.581 20 0 DFADRP C[C@H]1C[C@@H](CCNC(=O)CC(C)(C)[NH3+])C[N@@H+]1Cc1ccccc1 ZINC000646264404 431247897 /nfs/dbraw/zinc/24/78/97/431247897.db2.gz ZVIDXBDHANKCLV-DOTOQJQBSA-N 2 0 317.477 2.531 20 0 DFADRP C[NH+](C)CC[C@H](N)C(=O)Nc1cccc(Oc2ccccc2)c1 ZINC000653057293 431248205 /nfs/dbraw/zinc/24/82/05/431248205.db2.gz XUIHUIHKOFJXRT-KRWDZBQOSA-N 2 0 313.401 2.696 20 0 DFADRP CC(C)[C@@H](C(=O)Nc1ccc(OCCC[NH+](C)C)cc1)[C@@H](C)[NH3+] ZINC000646279071 431251144 /nfs/dbraw/zinc/25/11/44/431251144.db2.gz WHAYRZCKLQXISS-RHSMWYFYSA-N 2 0 321.465 2.575 20 0 DFADRP COCC[N@H+](C)CCCC1CC[NH+]([C@@H]2CCO[C@H](C)C2)CC1 ZINC000660158708 431292841 /nfs/dbraw/zinc/29/28/41/431292841.db2.gz OYGCWMLASXNAHR-SJLPKXTDSA-N 2 0 312.498 2.624 20 0 DFADRP CC[C@H](CC(F)F)C[N@@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000660152595 431295480 /nfs/dbraw/zinc/29/54/80/431295480.db2.gz AUCKSFQVSBQQIR-OAGGEKHMSA-N 2 0 317.468 2.626 20 0 DFADRP COCC[N@H+](C)CCCC1CC[NH+]([C@H]2COC(C)(C)C2)CC1 ZINC000660159150 431296944 /nfs/dbraw/zinc/29/69/44/431296944.db2.gz QWKBZDKAVUMGDF-QGZVFWFLSA-N 2 0 312.498 2.624 20 0 DFADRP CC(C)[C@H]([NH3+])CC(=O)N[C@@H](C[NH+]1CCCCC1)c1ccccc1 ZINC000646409855 431300938 /nfs/dbraw/zinc/30/09/38/431300938.db2.gz BIYDOPULDBPAQA-MSOLQXFVSA-N 2 0 317.477 2.703 20 0 DFADRP [NH3+][C@H]1CCC[C@H]([NH2+]Cc2cccc(NC(=O)c3ccncc3)c2)C1 ZINC000656193219 431302414 /nfs/dbraw/zinc/30/24/14/431302414.db2.gz ZIOAIWAUXUNQSA-IRXDYDNUSA-N 2 0 324.428 2.693 20 0 DFADRP CC(C)[NH+]1CCN(c2cccc(N[C@H]3CCC[C@@H]([NH3+])C3)c2)CC1 ZINC000656197919 431305555 /nfs/dbraw/zinc/30/55/55/431305555.db2.gz DMUIXBZSOLSNIN-SJORKVTESA-N 2 0 316.493 2.899 20 0 DFADRP CC[N@H+](CCCNC(=O)CC1CC[NH2+]CC1)C1CCCCC1 ZINC000653200754 431306776 /nfs/dbraw/zinc/30/67/76/431306776.db2.gz OVZKUEDVMCAUDS-UHFFFAOYSA-N 2 0 309.498 2.537 20 0 DFADRP C[NH2+]Cc1ccccc1CNC(=O)CC[C@@H]([NH3+])c1ccccc1 ZINC000653211208 431313097 /nfs/dbraw/zinc/31/30/97/431313097.db2.gz QJCACMDFBVHDAF-GOSISDBHSA-N 2 0 311.429 2.502 20 0 DFADRP C[C@@H]1CN(C[C@H](O)C[N@H+](C)C2CC2)CCc2ccc(Cl)cc21 ZINC000649746569 431270052 /nfs/dbraw/zinc/27/00/52/431270052.db2.gz CKNOHMRPTLGDCC-CXAGYDPISA-N 2 0 322.880 2.757 20 0 DFADRP CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)[C@H]2CC[C@H](C3CC3)[NH2+]2)C1 ZINC000653119520 431270297 /nfs/dbraw/zinc/27/02/97/431270297.db2.gz MNCJMUZOBAOYOA-DJIMGWMZSA-N 2 0 321.509 2.534 20 0 DFADRP Cc1ccc(C[NH+](C)C)cc1NC(=O)[C@@H]1CC[C@@H](C2CC2)[NH2+]1 ZINC000653122331 431272706 /nfs/dbraw/zinc/27/27/06/431272706.db2.gz UBLCEARUGSWKKW-HOTGVXAUSA-N 2 0 301.434 2.526 20 0 DFADRP CCOCCC[N@@H+]1CC[C@H](NCc2nc(C)oc2C)[C@@H](C)C1 ZINC000660303944 431368023 /nfs/dbraw/zinc/36/80/23/431368023.db2.gz AAXNZCHNSPHSKO-BBRMVZONSA-N 2 0 309.454 2.518 20 0 DFADRP CC[NH+](CC)[C@H](C(=O)N1CC[C@@H]([NH+](C)C)[C@H]1C)c1ccccc1 ZINC000646483413 431323208 /nfs/dbraw/zinc/32/32/08/431323208.db2.gz DBYRJRCUCITMOC-NXHRZFHOSA-N 2 0 317.477 2.621 20 0 DFADRP [NH3+]CCCCC(=O)Nc1ccc(SCC[NH+]2CCCC2)cc1 ZINC000653253114 431336351 /nfs/dbraw/zinc/33/63/51/431336351.db2.gz HNKODZZDRXLTHP-UHFFFAOYSA-N 2 0 321.490 2.942 20 0 DFADRP Cc1cc(NC2CC[NH+]([C@H]3CCOC3)CC2)ccc1C[NH+](C)C ZINC000656263677 431343698 /nfs/dbraw/zinc/34/36/98/431343698.db2.gz MEGRFNPFTWYZIO-IBGZPJMESA-N 2 0 317.477 2.722 20 0 DFADRP CCC([NH3+])(CC)CNCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000666753622 431346698 /nfs/dbraw/zinc/34/66/98/431346698.db2.gz FRQKGVNOUCLPCC-UHFFFAOYSA-N 2 0 319.493 2.768 20 0 DFADRP C[C@@H]([NH3+])CC[NH2+][C@H](C)CC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000666775760 431353678 /nfs/dbraw/zinc/35/36/78/431353678.db2.gz LWLVFABWVODZAJ-GHMZBOCLSA-N 2 0 317.355 2.749 20 0 DFADRP CC[NH+]1CCN([C@@H](C)C[NH2+]Cc2cccc(C(C)C)c2)CC1 ZINC000663314479 431359221 /nfs/dbraw/zinc/35/92/21/431359221.db2.gz HUWYWAUAHZDAKD-KRWDZBQOSA-N 2 0 303.494 2.926 20 0 DFADRP CC(C)c1cccc(C[NH2+]CC(C)(C)N2CC[NH+](C)CC2)c1 ZINC000663314260 431359318 /nfs/dbraw/zinc/35/93/18/431359318.db2.gz BRKCSAPJMUULOC-UHFFFAOYSA-N 2 0 303.494 2.926 20 0 DFADRP C[C@@H]1C[NH+](CCCCCC[N@@H+]2CCCO[C@@H](C)C2)CCCO1 ZINC000170933241 288158052 /nfs/dbraw/zinc/15/80/52/288158052.db2.gz SFDKDILCUGDCFW-HDICACEKSA-N 2 0 312.498 2.768 20 0 DFADRP CCC1(O)CCC([NH2+]C2CCN(c3cc[nH+]cc3)CC2)CC1 ZINC000656516267 431414898 /nfs/dbraw/zinc/41/48/98/431414898.db2.gz FUFDGPHTIYSJEQ-UHFFFAOYSA-N 2 0 303.450 2.724 20 0 DFADRP CCOc1c(Cl)cc(C[NH2+][C@H]2CC23CC[NH2+]CC3)cc1OC ZINC000666951004 431419618 /nfs/dbraw/zinc/41/96/18/431419618.db2.gz WGNVEQDSACQJFM-HNNXBMFYSA-N 2 0 324.852 2.979 20 0 DFADRP Fc1ccc(Br)cc1C[NH2+][C@H]1CC12CC[NH2+]CC2 ZINC000666950893 431420538 /nfs/dbraw/zinc/42/05/38/431420538.db2.gz PDHQFPICGOCUPW-ZDUSSCGKSA-N 2 0 313.214 2.820 20 0 DFADRP Cc1ccc(C[NH2+][C@@H]2CC23CC[NH2+]CC3)cc1Br ZINC000666952420 431422883 /nfs/dbraw/zinc/42/28/83/431422883.db2.gz VVEBXUFQMARRBS-CQSZACIVSA-N 2 0 309.251 2.989 20 0 DFADRP Cc1cc(Br)ccc1C[NH2+][C@@H]1CC12CC[NH2+]CC2 ZINC000666952310 431423193 /nfs/dbraw/zinc/42/31/93/431423193.db2.gz QERMPIFOOHUICT-CQSZACIVSA-N 2 0 309.251 2.989 20 0 DFADRP c1ccc(OCc2cccnc2)c(C[NH2+][C@H]2CC23CC[NH2+]CC3)c1 ZINC000666954516 431423362 /nfs/dbraw/zinc/42/33/62/431423362.db2.gz XCAAFRJOVJZFOQ-IBGZPJMESA-N 2 0 323.440 2.892 20 0 DFADRP COc1ccc(OC(F)F)c(C[NH2+][C@H]2CC23CC[NH2+]CC3)c1 ZINC000666952288 431423436 /nfs/dbraw/zinc/42/34/36/431423436.db2.gz OTJNTRXKBSRGCH-AWEZNQCLSA-N 2 0 312.360 2.528 20 0 DFADRP COc1ccc(C[C@@H](C)C[NH2+][C@@H]2CC23CC[NH2+]CC3)cc1F ZINC000666953723 431423453 /nfs/dbraw/zinc/42/34/53/431423453.db2.gz GHBXARPDCOTDJK-CXAGYDPISA-N 2 0 306.425 2.745 20 0 DFADRP COc1cc(C)c(C[NH2+]C[C@@H]2CCC[N@H+](CC3CC3)C2)c(C)n1 ZINC000663345379 431377907 /nfs/dbraw/zinc/37/79/07/431377907.db2.gz JFXJVCPTROJHII-KRWDZBQOSA-N 2 0 317.477 2.919 20 0 DFADRP C[C@@H](C(=O)Nc1cccc2c1CC[NH2+]C2)[N@H+](C)Cc1ccccc1 ZINC000646735605 431382388 /nfs/dbraw/zinc/38/23/88/431382388.db2.gz HBEKQFICIBMEMV-HNNXBMFYSA-N 2 0 323.440 2.791 20 0 DFADRP CC(C)[C@@H](C(=O)N(C)C1CC[NH+](C(C)C)CC1)[NH+]1CCCCC1 ZINC000354555861 279751991 /nfs/dbraw/zinc/75/19/91/279751991.db2.gz BKAIDNWELSSITM-SFHVURJKSA-N 2 0 323.525 2.828 20 0 DFADRP CCc1ccccc1NC(=O)C[C@@H](C)[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000666858111 431386696 /nfs/dbraw/zinc/38/66/96/431386696.db2.gz XTBILPBLCGNHBC-GDBMZVCRSA-N 2 0 303.450 2.698 20 0 DFADRP c1cc(COc2ccc(C[NH2+][C@H]3CCC[NH2+]CC3)cc2)ccn1 ZINC000666855299 431386989 /nfs/dbraw/zinc/38/69/89/431386989.db2.gz LHTHOLPRLVRUKB-SFHVURJKSA-N 2 0 311.429 2.892 20 0 DFADRP CN(CC[NH+]1CCCCC1)C(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000649970982 431388385 /nfs/dbraw/zinc/38/83/85/431388385.db2.gz HHWFWAUVPDSYLH-UHFFFAOYSA-N 2 0 318.465 2.698 20 0 DFADRP CC(C)(C)[C@H]([NH3+])c1cn([C@H]2CC[N@H+](Cc3ccccc3)C2)nn1 ZINC000656455337 431392399 /nfs/dbraw/zinc/39/23/99/431392399.db2.gz DKFKHKZQFAHVOR-DOTOQJQBSA-N 2 0 313.449 2.771 20 0 DFADRP CCC[C@@H]([NH3+])c1cn(C[C@@H]2CC[N@H+](Cc3ccccc3)C2)nn1 ZINC000656469011 431398032 /nfs/dbraw/zinc/39/80/32/431398032.db2.gz YMMOTPFXSLXTMK-IAGOWNOFSA-N 2 0 313.449 2.600 20 0 DFADRP C[NH+]1CCC(N2CC[C@@H]([NH2+]Cc3ccc(C4CC4)cc3)C2)CC1 ZINC000656499046 431409148 /nfs/dbraw/zinc/40/91/48/431409148.db2.gz FUJKWQBHWDYYHB-LJQANCHMSA-N 2 0 313.489 2.822 20 0 DFADRP CC(C)c1cc(C[NH2+]C2CCN(c3cc[nH+]cc3)CC2)on1 ZINC000656499376 431410629 /nfs/dbraw/zinc/41/06/29/431410629.db2.gz IDRWSRWGUBYIBU-UHFFFAOYSA-N 2 0 300.406 2.952 20 0 DFADRP Cn1cc(-c2ccc(C[NH2+][C@H]3CC[NH2+]C4(CCC4)C3)s2)cn1 ZINC000666993813 431437947 /nfs/dbraw/zinc/43/79/47/431437947.db2.gz LUJXVBWRGLKNOF-AWEZNQCLSA-N 2 0 316.474 2.913 20 0 DFADRP C[NH2+]CCCC(=O)N1CCC([NH2+][C@@H]2CCCCC2(C)C)CC1 ZINC000663505160 431448529 /nfs/dbraw/zinc/44/85/29/431448529.db2.gz GDUJPZLHTKCREU-MRXNPFEDSA-N 2 0 309.498 2.535 20 0 DFADRP CC[C@@H]1CCC[C@H](C[NH2+]C2CCN(C(=O)CCC[NH2+]C)CC2)C1 ZINC000663505112 431449401 /nfs/dbraw/zinc/44/94/01/431449401.db2.gz DNWIUYMWWGLJAT-SJORKVTESA-N 2 0 323.525 2.783 20 0 DFADRP CC(C)(C)OCCCC[N@@H+]1CCC[C@@H](N2CCOCC2)CC1 ZINC000660477380 431450866 /nfs/dbraw/zinc/45/08/66/431450866.db2.gz GZCGLENAOLQWGC-QGZVFWFLSA-N 2 0 312.498 2.768 20 0 DFADRP CC(C)C[N@H+](C)CCCNC(=O)[C@H](C)[NH+](C)Cc1ccccc1 ZINC000650179212 431476961 /nfs/dbraw/zinc/47/69/61/431476961.db2.gz ZHTUGNMVSWIHOV-KRWDZBQOSA-N 2 0 319.493 2.601 20 0 DFADRP FCCOCC[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000663463282 431427633 /nfs/dbraw/zinc/42/76/33/431427633.db2.gz ZDCLKNHOVDOBIA-BCDXTJNWSA-N 2 0 306.425 2.758 20 0 DFADRP CC(C)[C@@H](Cn1cccn1)[NH2+]C[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000663466567 431430544 /nfs/dbraw/zinc/43/05/44/431430544.db2.gz VOGKQFWNUUDEIT-ZWKOTPCHSA-N 2 0 304.482 2.619 20 0 DFADRP COc1ccc(C[C@@H](C)[NH2+]C[C@H]2CCC[N@H+](CC3CC3)C2)cn1 ZINC000663465976 431430792 /nfs/dbraw/zinc/43/07/92/431430792.db2.gz MMKMZCRNDAQIEQ-CRAIPNDOSA-N 2 0 317.477 2.733 20 0 DFADRP CC(C)(C)[C@@H](C[NH3+])NCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000666981168 431431186 /nfs/dbraw/zinc/43/11/86/431431186.db2.gz SMFXWXMMOVIHQR-GOSISDBHSA-N 2 0 319.493 2.624 20 0 DFADRP C[N@@H+]1CCCC[C@@H]1CN1CC[NH+](CCC(C)(C)C2CC2)CC1 ZINC000653554399 431431489 /nfs/dbraw/zinc/43/14/89/431431489.db2.gz BGHKCSNWALXCEV-GOSISDBHSA-N 2 0 307.526 2.915 20 0 DFADRP CC(C)(C)[NH+]1CCC(NC[C@@H]2CCC[N@H+](CC3CC3)C2)CC1 ZINC000663470559 431434968 /nfs/dbraw/zinc/43/49/68/431434968.db2.gz VEVNKESTHQXJQE-KRWDZBQOSA-N 2 0 307.526 2.961 20 0 DFADRP C[C@@H]([NH2+]C[C@H]1CCC[N@H+](CC2CC2)C1)c1cccc(CO)c1 ZINC000663471817 431436094 /nfs/dbraw/zinc/43/60/94/431436094.db2.gz YMWJHGYVRQEWOX-CRAIPNDOSA-N 2 0 302.462 2.952 20 0 DFADRP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCN(c3cc[nH+]c4ccccc43)C2)C1 ZINC000650298800 431516697 /nfs/dbraw/zinc/51/66/97/431516697.db2.gz ZQDRPOVFGIFQIJ-CLCXKQKWSA-N 2 0 311.429 2.958 20 0 DFADRP COCc1nc(C[N@@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)cs1 ZINC000656783805 431519456 /nfs/dbraw/zinc/51/94/56/431519456.db2.gz ABEGIHHVEBTCSS-CQSZACIVSA-N 2 0 309.479 2.501 20 0 DFADRP COCc1nc(C[N@@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)cs1 ZINC000656783802 431520941 /nfs/dbraw/zinc/52/09/41/431520941.db2.gz ABEGIHHVEBTCSS-AWEZNQCLSA-N 2 0 309.479 2.501 20 0 DFADRP C(c1nc2c(s1)CCC2)[NH+]1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000656787137 431521980 /nfs/dbraw/zinc/52/19/80/431521980.db2.gz UVBZGHHAJSMKSO-CQSZACIVSA-N 2 0 305.491 2.843 20 0 DFADRP c1cc(C[NH+]2CCC([C@@H]3CCC[NH2+]C3)CC2)cc2c1OCC2 ZINC000656786419 431523879 /nfs/dbraw/zinc/52/38/79/431523879.db2.gz SHHDBRZUXQURRN-GOSISDBHSA-N 2 0 300.446 2.833 20 0 DFADRP COc1ccc(C[NH+]2CCC([C@H]3CCC[NH2+]C3)CC2)cc1OC ZINC000656786641 431523961 /nfs/dbraw/zinc/52/39/61/431523961.db2.gz VJWVXDAOAKOBRH-KRWDZBQOSA-N 2 0 318.461 2.915 20 0 DFADRP C[C@H]1C[C@H]([NH2+][C@@H]2CCO[C@@H](c3cccnc3)C2)CN1C1CC1 ZINC000647245596 431524742 /nfs/dbraw/zinc/52/47/42/431524742.db2.gz QGTONYRBXLLUPC-JXSMBQFASA-N 2 0 301.434 2.517 20 0 DFADRP CCC[C@H]1CN(c2[nH+]ccc3[nH]ccc32)CC[N@@H+]1CCOC ZINC000663759060 431528262 /nfs/dbraw/zinc/52/82/62/431528262.db2.gz OURFNYVFHVNZLJ-AWEZNQCLSA-N 2 0 302.422 2.500 20 0 DFADRP CC(C)[N@H+](C)C[C@@H](O)C[NH+]1CC[C@@H](c2ccccc2)[C@H](C)C1 ZINC000656699823 431485080 /nfs/dbraw/zinc/48/50/80/431485080.db2.gz WBUYKMVIFCSOQD-BHIYHBOVSA-N 2 0 304.478 2.813 20 0 DFADRP Cc1[nH+]c2c(n1C[C@H](O)C[N@@H+](C)Cc1ccccc1)CCCC2 ZINC000656704592 431487129 /nfs/dbraw/zinc/48/71/29/431487129.db2.gz YWRTUBAWVRQMMS-QGZVFWFLSA-N 2 0 313.445 2.563 20 0 DFADRP CC(C)[N@H+](C)C[C@H](O)C[NH+]1CC[C@H](c2ccccc2)[C@H](C)C1 ZINC000656699824 431487252 /nfs/dbraw/zinc/48/72/52/431487252.db2.gz WBUYKMVIFCSOQD-NEWSRXKRSA-N 2 0 304.478 2.813 20 0 DFADRP CC[C@H](c1cccc(OC)c1)N(C)C[C@@H](O)C[N@H+](C)C(C)C ZINC000660558416 431490937 /nfs/dbraw/zinc/49/09/37/431490937.db2.gz SOPHBUZPSIMOCX-FUHWJXTLSA-N 2 0 308.466 2.779 20 0 DFADRP CC[C@H](c1cccc(OC)c1)N(C)C[C@H](O)C[N@H+](C)C(C)C ZINC000660558418 431492407 /nfs/dbraw/zinc/49/24/07/431492407.db2.gz SOPHBUZPSIMOCX-SJLPKXTDSA-N 2 0 308.466 2.779 20 0 DFADRP COc1ccc(C[N@H+](C[C@@H](O)C[NH+](C)C(C)C)C(C)(C)C)cc1 ZINC000660564099 431496127 /nfs/dbraw/zinc/49/61/27/431496127.db2.gz YZILZACYDLPYLQ-KRWDZBQOSA-N 2 0 322.493 2.997 20 0 DFADRP Cc1ccc(-c2nn(C)cc2C[NH2+]CC2(C)CC[NH+](C)CC2)o1 ZINC000647200183 431508104 /nfs/dbraw/zinc/50/81/04/431508104.db2.gz OGJRRGWYIVQSAC-UHFFFAOYSA-N 2 0 316.449 2.810 20 0 DFADRP O[C@H]1CC[N@H+](Cc2ccccc2C[NH2+]C2CCC(F)(F)CC2)C1 ZINC000647199996 431508410 /nfs/dbraw/zinc/50/84/10/431508410.db2.gz BJMTZGMPAQRKAI-KRWDZBQOSA-N 2 0 324.415 2.921 20 0 DFADRP CC[N@@H+]1CC[C@H](NC[C@@H]2C[NH+](C)C[C@H]2c2ccccc2)[C@H](C)C1 ZINC000647343968 431560215 /nfs/dbraw/zinc/56/02/15/431560215.db2.gz GTFJNXSCJSSPBN-LMCOJAPRSA-N 2 0 315.505 2.652 20 0 DFADRP C[N@@H+]1CC[C@@]2(C1)CCC[NH+](CCN1CCCc3ccccc31)C2 ZINC000660660567 431536137 /nfs/dbraw/zinc/53/61/37/431536137.db2.gz ZHIYJMNIVNDZMF-HXUWFJFHSA-N 2 0 313.489 2.857 20 0 DFADRP CCC[NH+]1CCC(C[NH2+][C@@H](C)c2cc3n(n2)CCCC3)CC1 ZINC000647287559 431539655 /nfs/dbraw/zinc/53/96/55/431539655.db2.gz KXMYIKOOCOEFHB-HNNXBMFYSA-N 2 0 304.482 2.992 20 0 DFADRP CCC[NH+]1CCC(C[NH2+][C@H](C)c2cc3n(n2)CCCC3)CC1 ZINC000647287560 431540378 /nfs/dbraw/zinc/54/03/78/431540378.db2.gz KXMYIKOOCOEFHB-OAHLLOKOSA-N 2 0 304.482 2.992 20 0 DFADRP CCOc1ccccc1C[N@@H+]1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1 ZINC000650705345 431654877 /nfs/dbraw/zinc/65/48/77/431654877.db2.gz FAMTZQJDZUXREV-SCTDSRPQSA-N 2 0 318.461 2.804 20 0 DFADRP COCc1cccc(C[N@@H+]2CCC[C@H]([C@@H]3C[C@H]([NH3+])CCO3)C2)c1 ZINC000650707017 431654943 /nfs/dbraw/zinc/65/49/43/431654943.db2.gz WYNVZDMPJBHJBE-OTWHNJEPSA-N 2 0 318.461 2.551 20 0 DFADRP C[NH+](C)Cc1cccc(C[NH2+]Cc2ccnn2-c2cc[nH+]cc2)c1 ZINC000657299911 431658795 /nfs/dbraw/zinc/65/87/95/431658795.db2.gz BSLKOJPZTHNQNU-UHFFFAOYSA-N 3 0 321.428 2.619 20 0 DFADRP CCOc1cc(C[NH2+]CCC2(C[NH3+])CC2)cc(Cl)c1OC ZINC000650711918 431659028 /nfs/dbraw/zinc/65/90/28/431659028.db2.gz JBOKWGWUHWCERZ-UHFFFAOYSA-N 2 0 312.841 2.966 20 0 DFADRP [NH3+]CC1(CC[NH2+]Cc2cccc(OCC(F)(F)F)c2)CC1 ZINC000650712324 431659545 /nfs/dbraw/zinc/65/95/45/431659545.db2.gz AMIUALUXRRAKOZ-UHFFFAOYSA-N 2 0 302.340 2.846 20 0 DFADRP CC[C@H]1C[N@H+](Cc2ccc(C)cc2-c2cnn(C)c2)CC[C@@H]1[NH3+] ZINC000647497751 431606200 /nfs/dbraw/zinc/60/62/00/431606200.db2.gz TWIRIQFQIJKDHD-KXBFYZLASA-N 2 0 312.461 2.955 20 0 DFADRP CC[NH2+]CC1CC[NH+](Cc2cn(C)nc2-c2ccc(C)o2)CC1 ZINC000647502807 431610258 /nfs/dbraw/zinc/61/02/58/431610258.db2.gz JHHMQNDGQYQHAJ-UHFFFAOYSA-N 2 0 316.449 2.810 20 0 DFADRP Cc1ccc(-c2nn(C)cc2C[N@@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)o1 ZINC000647511822 431612886 /nfs/dbraw/zinc/61/28/86/431612886.db2.gz ILBQRVANDJHMKZ-NUEKZKHPSA-N 2 0 314.433 2.548 20 0 DFADRP CCn1ccnc1[C@@H](C)NC(=O)c1ccc(C[NH+](CC)CC)o1 ZINC000654005045 431615164 /nfs/dbraw/zinc/61/51/64/431615164.db2.gz NRDLLURKLVIBAG-CYBMUJFWSA-N 2 0 318.421 2.829 20 0 DFADRP C[N@H+](Cc1ccccc1)CC(C)(C)CN1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000647533546 431618901 /nfs/dbraw/zinc/61/89/01/431618901.db2.gz UIJQPPTUIJUZAA-MOPGFXCFSA-N 2 0 315.505 2.828 20 0 DFADRP Fc1ccccc1COC1CC[NH+](C[C@H]2CCC[NH2+]C2)CC1 ZINC000647538494 431620907 /nfs/dbraw/zinc/62/09/07/431620907.db2.gz VDKVNSJVYWEFIY-HNNXBMFYSA-N 2 0 306.425 2.806 20 0 DFADRP C(c1nc2c(s1)CCCC2)[NH+]1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000647542101 431621641 /nfs/dbraw/zinc/62/16/41/431621641.db2.gz XIBZUTNTYKDJDF-AWEZNQCLSA-N 2 0 305.491 2.843 20 0 DFADRP c1ccc2c(c1)OCC[C@H]2C[NH+]1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000647542089 431622942 /nfs/dbraw/zinc/62/29/42/431622942.db2.gz UFTKGQJPLQDOJB-SJORKVTESA-N 2 0 300.446 2.874 20 0 DFADRP COCc1nc(C[N@@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)cs1 ZINC000647543066 431623536 /nfs/dbraw/zinc/62/35/36/431623536.db2.gz HAYJPWSSDFXXOD-KGLIPLIRSA-N 2 0 309.479 2.501 20 0 DFADRP CCOc1ccc(C[N@@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)nc1 ZINC000647543424 431623562 /nfs/dbraw/zinc/62/35/62/431623562.db2.gz NDZHTBXXEZKQLQ-JKSUJKDBSA-N 2 0 303.450 2.692 20 0 DFADRP CC(C)(C[N@@H+]1C[C@@H](C[NH3+])C2(C1)CCOCC2)c1ccccc1 ZINC000647545490 431623721 /nfs/dbraw/zinc/62/37/21/431623721.db2.gz WQSDOGOJZLOXQC-QGZVFWFLSA-N 2 0 302.462 2.652 20 0 DFADRP c1ccc2c(c1)OCC[C@@H]2C[N@@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000647545711 431624449 /nfs/dbraw/zinc/62/44/49/431624449.db2.gz IOCITPNHYNKYEY-IXDOHACOSA-N 2 0 300.446 2.874 20 0 DFADRP CCOc1cccc(C[N@@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)n1 ZINC000647543958 431625125 /nfs/dbraw/zinc/62/51/25/431625125.db2.gz UVRMOJLXIYCFTA-HOTGVXAUSA-N 2 0 303.450 2.692 20 0 DFADRP CCc1nn(C)c(CC)c1C[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647543798 431626172 /nfs/dbraw/zinc/62/61/72/431626172.db2.gz SFEOHLBTTFVLSD-HOTGVXAUSA-N 2 0 318.509 2.757 20 0 DFADRP C[C@H]([NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1)c1cccc(-n2cccn2)c1 ZINC000647550182 431627853 /nfs/dbraw/zinc/62/78/53/431627853.db2.gz DRLHZVCWBYKREU-DZOHQFGASA-N 2 0 310.445 2.911 20 0 DFADRP C[C@H]1CN(Cc2ccccc2)C[C@H]1[NH2+]Cc1ccc(C[NH3+])cc1 ZINC000647553349 431630515 /nfs/dbraw/zinc/63/05/15/431630515.db2.gz VIGGSXGWKHXHCY-OXJNMPFZSA-N 2 0 309.457 2.755 20 0 DFADRP CC[NH+](CC)Cc1ccc(C(=O)NC[C@H]2C[C@@H]([NH+](C)C)C2)cc1 ZINC000654068745 431641732 /nfs/dbraw/zinc/64/17/32/431641732.db2.gz HZKNXDSUGSCWSQ-MAEOIBBWSA-N 2 0 317.477 2.598 20 0 DFADRP Cc1ccc(CCC[N@@H+]2CCCC[C@@H]2[C@@H]2C[C@H]([NH3+])CCO2)cn1 ZINC000650724508 431668343 /nfs/dbraw/zinc/66/83/43/431668343.db2.gz HWQDBTARPOJIMT-QRVBRYPASA-N 2 0 317.477 2.683 20 0 DFADRP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+][C@H]1CCCc2c1ccc(=O)n2C ZINC000650724608 431669055 /nfs/dbraw/zinc/66/90/55/431669055.db2.gz JBZYSAGRRHWQPR-INMHGKMJSA-N 2 0 317.477 2.663 20 0 DFADRP Cc1ncc(C[NH2+]Cc2ccc(N3CCCCCC3)nc2)n1C ZINC000657312490 431669508 /nfs/dbraw/zinc/66/95/08/431669508.db2.gz KIKDNMKGXZEWFO-UHFFFAOYSA-N 2 0 313.449 2.794 20 0 DFADRP C[C@@H](C[NH2+]Cc1ccc(O[C@H]2CCOC2)cc1)C[NH+]1CCCC1 ZINC000657319198 431674456 /nfs/dbraw/zinc/67/44/56/431674456.db2.gz UZXFSNYSPJYGDO-LPHOPBHVSA-N 2 0 318.461 2.676 20 0 DFADRP CC(C)[C@H]([NH2+]CCC1(C[NH3+])CC1)c1ccc2[nH]c(=O)oc2c1 ZINC000650746277 431676613 /nfs/dbraw/zinc/67/66/13/431676613.db2.gz ZUGAGKBGNBCVNI-HNNXBMFYSA-N 2 0 303.406 2.949 20 0 DFADRP COC[C@@H]([NH2+]CCC1(C[NH3+])CC1)c1cccc(Cl)c1F ZINC000650747817 431677095 /nfs/dbraw/zinc/67/70/95/431677095.db2.gz IDWAMISMGWXRQT-CYBMUJFWSA-N 2 0 300.805 2.885 20 0 DFADRP [NH3+]CC1(CC[NH2+][C@@H]2CCCc3nn(-c4ccccc4)cc32)CC1 ZINC000650747266 431677135 /nfs/dbraw/zinc/67/71/35/431677135.db2.gz WDIJVLIRYIUSDU-QGZVFWFLSA-N 2 0 310.445 2.968 20 0 DFADRP C[C@@H]([NH2+]CCC1(C[NH3+])CC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000650746095 431677939 /nfs/dbraw/zinc/67/79/39/431677939.db2.gz VZVKYJPWFXFRJX-AEFFLSMTSA-N 3 0 301.478 2.616 20 0 DFADRP Cn1nccc1[C@H]1CCC[C@@H]([NH2+]Cc2ccc(C[NH3+])cc2F)C1 ZINC000650754223 431680217 /nfs/dbraw/zinc/68/02/17/431680217.db2.gz DICNVANQYRNWAK-GOEBONIOSA-N 2 0 316.424 2.834 20 0 DFADRP [NH3+]Cc1ccc(C[NH2+][C@@H]2CCC[C@@H]([C@H]3CCOC3)C2)c(F)c1 ZINC000650755096 431681236 /nfs/dbraw/zinc/68/12/36/431681236.db2.gz YVDHWNCEDRMRPE-HYVNUMGLSA-N 2 0 306.425 2.969 20 0 DFADRP Cn1nccc1[C@@H]1CCC[C@H]([NH2+]Cc2ccc(C[NH3+])cc2F)C1 ZINC000650754225 431682180 /nfs/dbraw/zinc/68/21/80/431682180.db2.gz DICNVANQYRNWAK-ZBFHGGJFSA-N 2 0 316.424 2.834 20 0 DFADRP CN(C)[C@H](C[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1)c1ccccc1Cl ZINC000647785916 431684299 /nfs/dbraw/zinc/68/42/99/431684299.db2.gz GDNKQZDJTWHMKV-OIPACUDHSA-N 2 0 321.896 2.920 20 0 DFADRP Cc1nc2ccccc2n1CCC[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000647785616 431684357 /nfs/dbraw/zinc/68/43/57/431684357.db2.gz CGDDFIQVJSGCGT-BRWVUGGUSA-N 2 0 312.461 2.713 20 0 DFADRP CCc1ccc([C@H](C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)N(C)C)cc1 ZINC000647785780 431684791 /nfs/dbraw/zinc/68/47/91/431684791.db2.gz FJHJOVHVOAUHCW-NMLBUPMWSA-N 2 0 315.505 2.829 20 0 DFADRP CCc1ccc([C@H](C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)N(C)C)cc1 ZINC000647785772 431684907 /nfs/dbraw/zinc/68/49/07/431684907.db2.gz FJHJOVHVOAUHCW-HAGHYFMRSA-N 2 0 315.505 2.829 20 0 DFADRP Fc1ccc2[nH]cc(CC[NH2+][C@@H]3CC[C@@H]4C[NH2+]C[C@H]4C3)c2c1 ZINC000647785554 431685062 /nfs/dbraw/zinc/68/50/62/431685062.db2.gz AXEDDELJNJFJIZ-XNRPHZJLSA-N 2 0 301.409 2.827 20 0 DFADRP Fc1cccc(N2CCC[C@H]([NH2+][C@@H]3CC[C@H]4C[NH2+]C[C@H]4C3)C2)c1 ZINC000647786576 431685234 /nfs/dbraw/zinc/68/52/34/431685234.db2.gz SFUQBOSTGZKOBG-IDCNUPLLSA-N 2 0 317.452 2.772 20 0 DFADRP Cc1nn(C)c2sc([C@H](C)[NH2+]CCC3CC[NH2+]CC3)cc12 ZINC000650761801 431686234 /nfs/dbraw/zinc/68/62/34/431686234.db2.gz KRJZZQUTQOGUFY-LBPRGKRZSA-N 2 0 306.479 2.984 20 0 DFADRP c1cc(C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)cc(C[NH+]2CCCC2)c1 ZINC000647788913 431686544 /nfs/dbraw/zinc/68/65/44/431686544.db2.gz VGHRDNOXFFUXQU-XUVXKRRUSA-N 3 0 313.489 2.760 20 0 DFADRP c1cc(C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)cc(N2CCCCC2)n1 ZINC000647789970 431686622 /nfs/dbraw/zinc/68/66/22/431686622.db2.gz OSPUOKJMXYCFFW-RCCFBDPRSA-N 2 0 314.477 2.550 20 0 DFADRP CC(C)[C@H](C[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1)[NH+]1CCCCCC1 ZINC000647791292 431686680 /nfs/dbraw/zinc/68/66/80/431686680.db2.gz BOARSGWLIFVKOK-MANSERQUSA-N 3 0 307.526 2.865 20 0 DFADRP CCCOc1cccc(CC[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000647792886 431687870 /nfs/dbraw/zinc/68/78/70/431687870.db2.gz DALLCKYFODLAJZ-OKZBNKHCSA-N 2 0 302.462 2.996 20 0 DFADRP C[C@H]([NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000647793592 431689546 /nfs/dbraw/zinc/68/95/46/431689546.db2.gz BCAZZKCTDXBIPA-YYWYGQEZSA-N 3 0 305.510 2.617 20 0 DFADRP COc1c2ccccc2oc1C[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000647795891 431689560 /nfs/dbraw/zinc/68/95/60/431689560.db2.gz YWCWJYQTEAQNQY-MELADBBJSA-N 2 0 300.402 2.919 20 0 DFADRP Cn1cc(-c2ccccc2C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)cn1 ZINC000647794033 431689698 /nfs/dbraw/zinc/68/96/98/431689698.db2.gz OZSAESPPXDUCPA-QGPMSJSTSA-N 2 0 310.445 2.565 20 0 DFADRP CCCCCn1cc(C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)c(C)n1 ZINC000647793662 431689801 /nfs/dbraw/zinc/68/98/01/431689801.db2.gz DDSVSOOVZPYEFQ-JFIYKMOQSA-N 2 0 304.482 2.859 20 0 DFADRP c1ccc2c(c1)O[C@H](C[NH2+][C@@H]1CC[C@@H]3C[NH2+]C[C@@H]3C1)CS2 ZINC000647800571 431691262 /nfs/dbraw/zinc/69/12/62/431691262.db2.gz FNVPEANBNGZNSY-LXTVHRRPSA-N 2 0 304.459 2.517 20 0 DFADRP C[C@H]([NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1)c1ccc(Br)cn1 ZINC000647796665 431691321 /nfs/dbraw/zinc/69/13/21/431691321.db2.gz INNRIWIMVWUAQU-ZJQBRPOHSA-N 2 0 324.266 2.883 20 0 DFADRP c1ccc([C@H]2CC[C@H](C[NH2+][C@@H]3CC[C@@H]4C[NH2+]C[C@@H]4C3)O2)cc1 ZINC000647797886 431691646 /nfs/dbraw/zinc/69/16/46/431691646.db2.gz GIJGWCYLDKQBMH-RHQZKXFESA-N 2 0 300.446 2.884 20 0 DFADRP FC(F)(F)c1ccnc(CC[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)c1 ZINC000647798965 431692074 /nfs/dbraw/zinc/69/20/74/431692074.db2.gz ZTMZBTHMVCBMRE-YRGRVCCFSA-N 2 0 313.367 2.621 20 0 DFADRP COc1cc(F)cc(C[C@H](C)[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)c1 ZINC000647799446 431692262 /nfs/dbraw/zinc/69/22/62/431692262.db2.gz HCSKIHZMJPBIJF-DPAVQSFQSA-N 2 0 306.425 2.743 20 0 DFADRP FC(F)(F)c1ccnc(CC[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000647798962 431692271 /nfs/dbraw/zinc/69/22/71/431692271.db2.gz ZTMZBTHMVCBMRE-MBNYWOFBSA-N 2 0 313.367 2.621 20 0 DFADRP CCC[NH+]1CCC(C[NH2+]Cc2c(C(F)(F)F)cnn2C)CC1 ZINC000657347179 431693315 /nfs/dbraw/zinc/69/33/15/431693315.db2.gz NPLYBTMINRUKRQ-UHFFFAOYSA-N 2 0 318.387 2.651 20 0 DFADRP C[N@H+](CCCC1CC[NH2+]CC1)Cc1ccc2c(c1)OCCO2 ZINC000647872333 431713471 /nfs/dbraw/zinc/71/34/71/431713471.db2.gz XGRPZLYMLNVKFS-UHFFFAOYSA-N 2 0 304.434 2.669 20 0 DFADRP c1cc(C[NH2+]C[C@H]2CCOc3ccccc32)n(-c2cc[nH+]cc2)n1 ZINC000657358691 431700809 /nfs/dbraw/zinc/70/08/09/431700809.db2.gz MGMWOCWYAZBTOH-OAHLLOKOSA-N 2 0 320.396 2.923 20 0 DFADRP c1cc2c(cc[nH+]c2N2CC[NH+](CCOc3ccccc3)CC2)[nH]1 ZINC000647848898 431705922 /nfs/dbraw/zinc/70/59/22/431705922.db2.gz YUZATWPWZDTRJR-UHFFFAOYSA-N 2 0 322.412 2.764 20 0 DFADRP Cc1cccc2[nH]c(C[NH2+]C[C@@H](C)CN3CCOCC3)cc21 ZINC000657369843 431706677 /nfs/dbraw/zinc/70/66/77/431706677.db2.gz HBTNNAQHBSUAQQ-CQSZACIVSA-N 2 0 301.434 2.534 20 0 DFADRP c1cc2c(cc[nH+]c2N2CC[NH+](CCc3ccccc3)CC2)[nH]1 ZINC000647851726 431708055 /nfs/dbraw/zinc/70/80/55/431708055.db2.gz MDGHYNLOTCVUEH-UHFFFAOYSA-N 2 0 306.413 2.928 20 0 DFADRP C[NH2+]Cc1ccccc1C[NH2+]Cc1ccc(OC)cc1OC ZINC000650718201 431662651 /nfs/dbraw/zinc/66/26/51/431662651.db2.gz BUBOGPKFEQCSJN-UHFFFAOYSA-N 2 0 300.402 2.713 20 0 DFADRP C[NH2+]Cc1ccccc1C[NH2+]Cc1cccc(OCCOC)c1 ZINC000650718694 431662729 /nfs/dbraw/zinc/66/27/29/431662729.db2.gz UCEWCBFPSZOBFT-UHFFFAOYSA-N 2 0 314.429 2.721 20 0 DFADRP Cc1cccc2c1ccnc2N1CCC([C@@H]2OCC[C@H]2[NH3+])CC1 ZINC000647708190 431663699 /nfs/dbraw/zinc/66/36/99/431663699.db2.gz ALUOAULCDGWROB-MSOLQXFVSA-N 2 0 311.429 2.876 20 0 DFADRP CC(C)(O)C[NH+]1CCC([NH2+][C@@H]2CCCc3ccccc32)CC1 ZINC000647908774 431724294 /nfs/dbraw/zinc/72/42/94/431724294.db2.gz HAPHOGKSFQSQPX-GOSISDBHSA-N 2 0 302.462 2.889 20 0 DFADRP CCN(Cc1ccn(-c2cccc(F)c2)n1)[C@@H]1CCC[NH2+]CC1 ZINC000647913343 431726222 /nfs/dbraw/zinc/72/62/22/431726222.db2.gz ZMWWCVNGAWRSSI-QGZVFWFLSA-N 2 0 316.424 2.975 20 0 DFADRP C[C@@H](CCO)C1(C[NH2+]Cc2ccnn2-c2cc[nH+]cc2)CCC1 ZINC000657428022 431745789 /nfs/dbraw/zinc/74/57/89/431745789.db2.gz VXXUENXWXAKNIB-HNNXBMFYSA-N 2 0 314.433 2.546 20 0 DFADRP C[NH+]1CCC(C)(C[NH2+]Cc2ccc(O[C@@H]3CCOC3)cc2)CC1 ZINC000657430439 431746741 /nfs/dbraw/zinc/74/67/41/431746741.db2.gz NYIFGURSRYEPIG-GOSISDBHSA-N 2 0 318.461 2.676 20 0 DFADRP C[C@H]1C[C@H](CC[NH2+]Cc2ccnn2-c2cc[nH+]cc2)CCO1 ZINC000657432837 431746850 /nfs/dbraw/zinc/74/68/50/431746850.db2.gz VSSNWBCEERKITI-LSDHHAIUSA-N 2 0 300.406 2.562 20 0 DFADRP CC(C)[N@H+](C)C[C@H](O)C[NH+](Cc1ccccc1)CC1CCC1 ZINC000647960838 431750293 /nfs/dbraw/zinc/75/02/93/431750293.db2.gz NCRGMQQHTWIVDT-IBGZPJMESA-N 2 0 304.478 2.990 20 0 DFADRP CC[NH+](CC)CCOCC[NH2+]Cc1cc2c(cccc2C)[nH]1 ZINC000657433350 431750939 /nfs/dbraw/zinc/75/09/39/431750939.db2.gz RERXBXJVKDRFOT-UHFFFAOYSA-N 2 0 303.450 2.924 20 0 DFADRP Cc1ccccc1[C@@H]1C[C@H](C)[NH+](C[C@H](O)C[N@@H+](C)C(C)C)C1 ZINC000647964466 431756504 /nfs/dbraw/zinc/75/65/04/431756504.db2.gz LNFBKQVMPVYPAY-RCCFBDPRSA-N 2 0 304.478 2.874 20 0 DFADRP Cc1cccc(NC(=O)C[N@@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)c1 ZINC000647975230 431760941 /nfs/dbraw/zinc/76/09/41/431760941.db2.gz RGKVCSFZQKKDNR-SJORKVTESA-N 2 0 315.461 2.645 20 0 DFADRP CC(C)N(C(=O)[C@@H](C)[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1)C(C)C ZINC000647975849 431761263 /nfs/dbraw/zinc/76/12/63/431761263.db2.gz GUIDHGNLNSQCNP-KURKYZTESA-N 2 0 323.525 2.732 20 0 DFADRP c1cc(CC[N@@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)cc2c1OCC2 ZINC000647978811 431761358 /nfs/dbraw/zinc/76/13/58/431761358.db2.gz YKVBFPYRAHSTLO-RTBURBONSA-N 2 0 314.473 2.876 20 0 DFADRP CC(C)CCc1noc(C[N@@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)n1 ZINC000647977805 431762827 /nfs/dbraw/zinc/76/28/27/431762827.db2.gz HSWCMHZTMBSXCW-JKSUJKDBSA-N 2 0 320.481 2.870 20 0 DFADRP C[N@@H+]1CCN(CC[NH2+]C2CCC(C3CCC3)CC2)CC1(C)C ZINC000657459152 431763142 /nfs/dbraw/zinc/76/31/42/431763142.db2.gz VDCOSMMHTXOPOH-UHFFFAOYSA-N 2 0 307.526 2.961 20 0 DFADRP C[N@H+](CCCC1CC[NH2+]CC1)C[C@H]1COc2ccccc2O1 ZINC000647872327 431714109 /nfs/dbraw/zinc/71/41/09/431714109.db2.gz WNYRUPWWGBKWNU-INIZCTEOSA-N 2 0 304.434 2.538 20 0 DFADRP CC(C)c1ncc2c(n1)C[N@@H+](CCCC1CC[NH2+]CC1)CC2 ZINC000647884590 431719028 /nfs/dbraw/zinc/71/90/28/431719028.db2.gz KKRCKMRPMBDFFK-UHFFFAOYSA-N 2 0 302.466 2.738 20 0 DFADRP Cc1ccccc1-n1cc(CN(C)[C@H]2CC[N@@H+](C)C[C@H]2C)cn1 ZINC000648035848 431794900 /nfs/dbraw/zinc/79/49/00/431794900.db2.gz SKWSAMUSRXICIS-AEFFLSMTSA-N 2 0 312.461 2.953 20 0 DFADRP Cc1ccc(C[NH2+]CC2CC[NH+](C3CCOCC3)CC2)cc1 ZINC000657536817 431801066 /nfs/dbraw/zinc/80/10/66/431801066.db2.gz PZSIKYUQOAVQNF-UHFFFAOYSA-N 2 0 302.462 2.976 20 0 DFADRP CC[C@H](C[N@@H+]1CCOC2(CC[NH+](C)CC2)C1)c1ccccc1 ZINC000648071580 431807526 /nfs/dbraw/zinc/80/75/26/431807526.db2.gz JKPVXWYKYUSMFP-QGZVFWFLSA-N 2 0 302.462 2.977 20 0 DFADRP C[NH+]1CCC2(CC1)C[N@H+](C[C@H]1C[C@H]1c1ccccc1)CCO2 ZINC000648072324 431808468 /nfs/dbraw/zinc/80/84/68/431808468.db2.gz YJMAYNUAORXKAX-MSOLQXFVSA-N 2 0 300.446 2.587 20 0 DFADRP C[NH+](C)CCOc1ccc(C[NH2+][C@H]2CCN(C(C)(C)C)C2)cc1 ZINC000657562732 431810228 /nfs/dbraw/zinc/81/02/28/431810228.db2.gz ONJWTFGHZFXPCC-KRWDZBQOSA-N 2 0 319.493 2.589 20 0 DFADRP CC(C)c1cnc(C[NH2+][C@@H](C)CN(C)CCC[NH+](C)C)s1 ZINC000657573726 431814414 /nfs/dbraw/zinc/81/44/14/431814414.db2.gz RGNHOIPDMTVNJY-AWEZNQCLSA-N 2 0 312.527 2.628 20 0 DFADRP C[C@@H](CN(C)CCC[NH+](C)C)[NH2+]Cc1ccc(C2CC2)cc1 ZINC000657573771 431815906 /nfs/dbraw/zinc/81/59/06/431815906.db2.gz SYBZTYCISJSHLT-INIZCTEOSA-N 2 0 303.494 2.926 20 0 DFADRP C([C@@H]1CC[NH2+]C1)[N@@H+]1CCC[C@H](c2nc3c(s2)CCCC3)C1 ZINC000647990413 431767113 /nfs/dbraw/zinc/76/71/13/431767113.db2.gz YSTWVRFDRYMQKY-KGLIPLIRSA-N 2 0 305.491 2.811 20 0 DFADRP Cc1cccc2c1OC[C@@H]([NH2+]Cc1ccnn1-c1cc[nH+]cc1)C2 ZINC000657469861 431768030 /nfs/dbraw/zinc/76/80/30/431768030.db2.gz KVHWQHLODAYLJP-INIZCTEOSA-N 2 0 320.396 2.669 20 0 DFADRP CC(C)([NH3+])c1noc(C[N@@H+]2CC[C@@H]([C@H]3CCCC3(C)C)C2)n1 ZINC000647995260 431769236 /nfs/dbraw/zinc/76/92/36/431769236.db2.gz JSKLASRQWOLCCP-CHWSQXEVSA-N 2 0 306.454 2.912 20 0 DFADRP COCC1(C[NH2+]Cc2ccnn2-c2cc[nH+]cc2)CCCCC1 ZINC000657470595 431771755 /nfs/dbraw/zinc/77/17/55/431771755.db2.gz UFGBONBKKICKAF-UHFFFAOYSA-N 2 0 314.433 2.954 20 0 DFADRP CC(C)[C@@H](CO)[C@@H]([NH2+]Cc1ccnn1-c1cc[nH+]cc1)C(C)C ZINC000657482107 431776673 /nfs/dbraw/zinc/77/66/73/431776673.db2.gz QJNATMXGIUTEER-MSOLQXFVSA-N 2 0 316.449 2.646 20 0 DFADRP CC(C)[C@@H]1C[C@@H](C[NH2+]Cc2ccnn2-c2cc[nH+]cc2)CCO1 ZINC000657481795 431777550 /nfs/dbraw/zinc/77/75/50/431777550.db2.gz KQTHKAYXVHKXLA-YJBOKZPZSA-N 2 0 314.433 2.808 20 0 DFADRP C[NH+](C)C1CCC([NH2+]Cc2ccc(O[C@H]3CCOC3)cc2)CC1 ZINC000657493312 431782220 /nfs/dbraw/zinc/78/22/20/431782220.db2.gz BQXLBRWRPZTSCJ-TVPLGVNVSA-N 2 0 318.461 2.817 20 0 DFADRP C[C@@H](COc1c(F)cccc1F)[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000657629088 431828729 /nfs/dbraw/zinc/82/87/29/431828729.db2.gz ZTOHCZUSFCHDIV-MELADBBJSA-N 2 0 310.388 2.949 20 0 DFADRP Cc1ccc2c(c1)[C@@H]([NH2+][C@H]1CCN(C3CC[NH+](C)CC3)C1)CC2 ZINC000370634077 281097648 /nfs/dbraw/zinc/09/76/48/281097648.db2.gz JRNBGWOSVKQNFU-PXNSSMCTSA-N 2 0 313.489 2.740 20 0 DFADRP Cc1ccc2[nH+]ccc(N3C[C@H]([NH+]4CCOCC4)[C@@H](C)C3)c2c1 ZINC000248711672 281171615 /nfs/dbraw/zinc/17/16/15/281171615.db2.gz CPUUEGTWSAQUMK-KXBFYZLASA-N 2 0 311.429 2.700 20 0 DFADRP C[NH+](C)[C@@H]1CCc2cc(NC(=O)N[C@@H](C[NH3+])C(C)(C)C)ccc21 ZINC000415784041 289137607 /nfs/dbraw/zinc/13/76/07/289137607.db2.gz GSGTZESUKUZLSL-CVEARBPZSA-N 2 0 318.465 2.730 20 0 DFADRP CC(C)C[C@H](C[NH3+])NC(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C ZINC000415786100 289137673 /nfs/dbraw/zinc/13/76/73/289137673.db2.gz JBJSAJAGIDAYDX-NVXWUHKLSA-N 2 0 318.465 2.730 20 0 DFADRP C[C@H](C(=O)NC[C@H](c1cccs1)[NH+](C)C)[NH+]1CCCCCC1 ZINC000118757018 289357259 /nfs/dbraw/zinc/35/72/59/289357259.db2.gz ZFCNRVSEAQPQHE-HUUCEWRRSA-N 2 0 323.506 2.732 20 0 DFADRP C[C@H](CCCC(F)(F)F)[NH2+]CCN1CCC([NH+](C)C)CC1 ZINC000359620999 289456481 /nfs/dbraw/zinc/45/64/81/289456481.db2.gz NXWHOCKKFSAAMK-CYBMUJFWSA-N 2 0 309.420 2.723 20 0 DFADRP C[C@H]([NH2+][C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1)c1ccc(NC(N)=O)cc1 ZINC000261800647 290012577 /nfs/dbraw/zinc/01/25/77/290012577.db2.gz URMXKBHTWBCDQF-KKBVYLPWSA-N 2 0 316.449 2.749 20 0 DFADRP C[C@H](O)C[N@H+](C)C1CC[NH+](C[C@@H]2CCCC(F)(F)C2)CC1 ZINC000338317241 290077808 /nfs/dbraw/zinc/07/78/08/290077808.db2.gz PLQAYRKABGKQBN-UONOGXRCSA-N 2 0 304.425 2.589 20 0 DFADRP CN(Cc1c[nH]nc1-c1ccsc1)C[C@H]1CCC[N@H+](C)C1 ZINC000437594367 297065472 /nfs/dbraw/zinc/06/54/72/297065472.db2.gz WDXLBIADFJJNTN-ZDUSSCGKSA-N 2 0 304.463 2.912 20 0 DFADRP C[C@H](C[C@@H](C)[NH2+]CC1CC[NH+](C)CC1)NC(=O)OC(C)(C)C ZINC000494466999 299870819 /nfs/dbraw/zinc/87/08/19/299870819.db2.gz DLPBHWQMYYVSLV-ZIAGYGMSSA-N 2 0 313.486 2.610 20 0 DFADRP C[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1[NH2+]CCCC[NH+](C)C ZINC000494743115 299881910 /nfs/dbraw/zinc/88/19/10/299881910.db2.gz VVMNALFQGNKZQY-CABCVRRESA-N 2 0 313.486 2.563 20 0 DFADRP C[C@@H](C[NH2+]CC1CC[NH+](CCO)CC1)c1cccc(Cl)c1 ZINC000153988336 295289601 /nfs/dbraw/zinc/28/96/01/295289601.db2.gz RKDTZVYVKTUJRE-AWEZNQCLSA-N 2 0 310.869 2.737 20 0 DFADRP COc1cc([C@H](C)[NH2+]CCN2CCC([NH+](C)C)CC2)ccc1F ZINC000154134431 295293071 /nfs/dbraw/zinc/29/30/71/295293071.db2.gz WRTMRZNNUWSYHG-AWEZNQCLSA-N 2 0 323.456 2.511 20 0 DFADRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@@H](C)c1ccc(F)c(OC)c1 ZINC000154184665 295293721 /nfs/dbraw/zinc/29/37/21/295293721.db2.gz YRASRIMEWMMLSY-DZGCQCFKSA-N 2 0 312.429 2.842 20 0 DFADRP Cc1nc(C(C)C)sc1[C@H](C)[NH2+][C@H](C)CN1CC[NH+](C)CC1 ZINC000154931116 295309467 /nfs/dbraw/zinc/30/94/67/295309467.db2.gz BLNGOFCZRALDTH-KGLIPLIRSA-N 2 0 324.538 2.861 20 0 DFADRP CC(C)[NH+](CCC[NH2+]C1CCN(CC(F)F)CC1)C(C)C ZINC000155827390 295326493 /nfs/dbraw/zinc/32/64/93/295326493.db2.gz GLYRUUPOVJXPKB-UHFFFAOYSA-N 2 0 305.457 2.814 20 0 DFADRP c1nc2ccccn2c1CN1CC[NH+](CCc2ccccc2)CC1 ZINC000157506912 295349431 /nfs/dbraw/zinc/34/94/31/295349431.db2.gz ZPOZQMIXBIUEAJ-UHFFFAOYSA-N 2 0 320.440 2.695 20 0 DFADRP CCCC[N@H+](C)CC1CC[NH+](Cc2c(C)nn(C)c2C)CC1 ZINC000157595690 295350831 /nfs/dbraw/zinc/35/08/31/295350831.db2.gz VCSKIEAMNQLXBF-UHFFFAOYSA-N 2 0 306.498 2.981 20 0 DFADRP CCC[C@H]([NH2+]C1CCN(CC[NH+](C)C)CC1)c1ccccn1 ZINC000158598051 295364829 /nfs/dbraw/zinc/36/48/29/295364829.db2.gz BPXKTYZLTYQQAF-SFHVURJKSA-N 2 0 304.482 2.538 20 0 DFADRP CC[C@@H](C)[C@H]([NH3+])C(=O)NC1CC[NH+](C2CCC(C)CC2)CC1 ZINC000370763275 295462735 /nfs/dbraw/zinc/46/27/35/295462735.db2.gz HXKDXLMAYQBLQD-CPBWPMLKSA-N 2 0 309.498 2.519 20 0 DFADRP CO[C@H]1C[NH+](Cc2cccc(C[NH+]3CCCCC3)c2)C[C@@H]1OC ZINC000411628517 295549903 /nfs/dbraw/zinc/54/99/03/295549903.db2.gz VKAFJGFNOLYLSQ-OALUTQOASA-N 2 0 318.461 2.518 20 0 DFADRP C[C@@H](CNC(=O)[C@H]1CCC[N@@H+]1C1CCCC1)C[NH+]1CCCCC1 ZINC000438568775 297098979 /nfs/dbraw/zinc/09/89/79/297098979.db2.gz QQOGSRDWWUAFDA-FUHWJXTLSA-N 2 0 321.509 2.632 20 0 DFADRP C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)[C@H]1CCC[NH+]1C1CCCC1 ZINC000438565166 297099096 /nfs/dbraw/zinc/09/90/96/297099096.db2.gz BTJJCDXAAYPDOG-JFIYKMOQSA-N 2 0 321.509 2.630 20 0 DFADRP CC1CC[NH+](CCCNC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC000438575785 297099747 /nfs/dbraw/zinc/09/97/47/297099747.db2.gz FZTIUBMJCAYKDK-SFHVURJKSA-N 2 0 321.509 2.632 20 0 DFADRP CC[C@@H]1C[NH+](C/C=C\C[N@@H+]2CCCO[C@@H](CC)C2)CCCO1 ZINC000439470876 297127302 /nfs/dbraw/zinc/12/73/02/297127302.db2.gz FEFBBCSJGLFIGL-SPCWZHTESA-N 2 0 310.482 2.544 20 0 DFADRP CO[C@@H]1CC[NH+](C[C@@H](C)C[N@H+]2CC[C@H](OC)C[C@H]2C)[C@H](C)C1 ZINC000441373856 297181753 /nfs/dbraw/zinc/18/17/53/297181753.db2.gz CJOVXANROZFGMP-ZKXLYKBJSA-N 2 0 312.498 2.621 20 0 DFADRP C[C@H]([NH2+]CCN1CC[N@H+](C)C(C)(C)C1)c1cc2c(s1)CCC2 ZINC000442877005 297209225 /nfs/dbraw/zinc/20/92/25/297209225.db2.gz QLJLPXDDWVEUMU-AWEZNQCLSA-N 2 0 321.534 2.913 20 0 DFADRP [NH3+]CC[C@@H]1CCC[N@H+](Cc2cc(O)ccc2Br)C1 ZINC000442918462 297211161 /nfs/dbraw/zinc/21/11/61/297211161.db2.gz GTGIBBDQVPBURU-NSHDSACASA-N 2 0 313.239 2.716 20 0 DFADRP [NH3+]CC[C@H]1CCC[N@H+](Cc2c(C3CC3)nc3sccn23)C1 ZINC000442921765 297211321 /nfs/dbraw/zinc/21/13/21/297211321.db2.gz JRZMMWCJHMKTSA-GFCCVEGCSA-N 2 0 304.463 2.834 20 0 DFADRP CC(C)CNC(=O)c1cccc(C[N@@H+]2CCC[C@H](CC[NH3+])C2)c1 ZINC000443059919 297213998 /nfs/dbraw/zinc/21/39/98/297213998.db2.gz NYKGPKUAPYITMN-MRXNPFEDSA-N 2 0 317.477 2.633 20 0 DFADRP Cc1ccc(NC(=O)[C@@H](C)[N@@H+]2CCC[C@@H](CC[NH3+])C2)cc1F ZINC000443058038 297214022 /nfs/dbraw/zinc/21/40/22/297214022.db2.gz IXIFSAWEKGQDTP-KGLIPLIRSA-N 2 0 307.413 2.522 20 0 DFADRP COc1ccc(-c2cnc(C[N@@H+]3CCC[C@@H](CC[NH3+])C3)o2)cc1 ZINC000443063097 297214190 /nfs/dbraw/zinc/21/41/90/297214190.db2.gz VUYBJARZHHWGDP-AWEZNQCLSA-N 2 0 315.417 2.911 20 0 DFADRP C[C@@H](c1nc(Cc2ccccc2)no1)[N@@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000443064934 297214685 /nfs/dbraw/zinc/21/46/85/297214685.db2.gz ZCBJPWBGJPETGH-HOCLYGCPSA-N 2 0 314.433 2.782 20 0 DFADRP CCc1cccc(CC)c1NC(=O)C[N@@H+]1CCC[C@H](CC[NH3+])C1 ZINC000443076496 297215172 /nfs/dbraw/zinc/21/51/72/297215172.db2.gz SKRVUMVEIBGFTN-OAHLLOKOSA-N 2 0 317.477 2.811 20 0 DFADRP c1nc2c(n1[C@@H]1CC[N@@H+](CCC[NH+]3CCCCC3)C1)CCCC2 ZINC000444630486 297242108 /nfs/dbraw/zinc/24/21/08/297242108.db2.gz OSAHLIHIPQLWDR-QGZVFWFLSA-N 3 0 316.493 2.885 20 0 DFADRP CC[C@@H]1CCCC[C@H]1[N@H+](C)CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000444659196 297243781 /nfs/dbraw/zinc/24/37/81/297243781.db2.gz CNLTWHRKPNTWPT-CRAIPNDOSA-N 2 0 321.509 2.630 20 0 DFADRP CC[NH+]1CCC(N2CCC[N@H+](Cc3ccccc3C)CC2)CC1 ZINC000445528645 297262618 /nfs/dbraw/zinc/26/26/18/297262618.db2.gz NKNNFSOCCOCXTD-UHFFFAOYSA-N 2 0 315.505 2.987 20 0 DFADRP CCN(C)c1ccc(C[NH2+]CC2CC[NH+](C3CC3)CC2)cn1 ZINC000446887740 297289512 /nfs/dbraw/zinc/28/95/12/297289512.db2.gz XXGXUMINQOAANV-UHFFFAOYSA-N 2 0 302.466 2.502 20 0 DFADRP Cn1cc(C[NH2+]CC2CC[NH+](C3CC3)CC2)c(C(C)(C)C)n1 ZINC000446885913 297289663 /nfs/dbraw/zinc/28/96/63/297289663.db2.gz ZMOXIFXHWSIPQH-UHFFFAOYSA-N 2 0 304.482 2.682 20 0 DFADRP CCN1CC[NH+](CCCC[NH2+][C@H](C)c2cc(C)oc2C)CC1 ZINC000447541606 297307488 /nfs/dbraw/zinc/30/74/88/297307488.db2.gz MOKFWKQCXJRIFX-MRXNPFEDSA-N 2 0 307.482 2.965 20 0 DFADRP CC[NH+]1CCN([C@H](C)C[NH2+]Cc2ncc(C(C)(C)C)s2)CC1 ZINC000447932607 297325787 /nfs/dbraw/zinc/32/57/87/297325787.db2.gz QWRZDOQUZLEKDH-CQSZACIVSA-N 2 0 324.538 2.556 20 0 DFADRP C[NH+]1CCC(C[NH2+]C2CC3(CCC3)C2)(N2CCCCC2)CC1 ZINC000448069159 297331473 /nfs/dbraw/zinc/33/14/73/297331473.db2.gz ZLOYUPLLMFRFED-UHFFFAOYSA-N 2 0 305.510 2.859 20 0 DFADRP C(CC[NH+]1CCOCC1)C[NH2+]C1CCC(OC2CCCC2)CC1 ZINC000449082008 297402736 /nfs/dbraw/zinc/40/27/36/297402736.db2.gz JPBVRGYDXNDPDI-UHFFFAOYSA-N 2 0 324.509 2.959 20 0 DFADRP C[NH2+][C@@H](CC(C)(C)C)C(=O)NC[C@@H](c1ccc(F)cc1)[NH+](C)C ZINC000449096209 297404958 /nfs/dbraw/zinc/40/49/58/297404958.db2.gz FQHSEHMEGFOGSN-HOTGVXAUSA-N 2 0 323.456 2.569 20 0 DFADRP CN(C)C(=O)CC[NH2+]C1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC000449103325 297405879 /nfs/dbraw/zinc/40/58/79/297405879.db2.gz ARRBPJJALULNQF-UHFFFAOYSA-N 2 0 311.514 2.734 20 0 DFADRP CC[C@H](O)CC[NH2+]C1CC[NH+]([C@H](C)Cc2ccccc2)CC1 ZINC000449185374 297419503 /nfs/dbraw/zinc/41/95/03/297419503.db2.gz AYJOKQWQMJLBFB-APWZRJJASA-N 2 0 304.478 2.833 20 0 DFADRP CC[NH+]1CCN(c2ccccc2C[NH2+]C[C@@](C)(CC)OC)CC1 ZINC000449479103 297476326 /nfs/dbraw/zinc/47/63/26/297476326.db2.gz UDMRZJQDKPJUCA-LJQANCHMSA-N 2 0 319.493 2.733 20 0 DFADRP CC[NH+]1CCN(CC(C)(C)[NH2+]C[C@@H](C)c2ccccc2)CC1 ZINC000449747547 297526390 /nfs/dbraw/zinc/52/63/90/297526390.db2.gz XPKKCUISQYHHSM-QGZVFWFLSA-N 2 0 303.494 2.796 20 0 DFADRP C[C@H](C(=O)N1CCCC[C@@H]([NH+]2CCCC2)C1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000245945975 298019645 /nfs/dbraw/zinc/01/96/45/298019645.db2.gz WQOLYSDJUSMTCE-XMTFNYHQSA-N 2 0 321.509 2.725 20 0 DFADRP CCC[C@H]([NH2+]Cc1ccnc(N2CC[NH+](C)CC2)c1)C1CCC1 ZINC000453058019 298058151 /nfs/dbraw/zinc/05/81/51/298058151.db2.gz GLGOVAZDHHMFLS-SFHVURJKSA-N 2 0 316.493 2.892 20 0 DFADRP C[C@H](Cc1cnccn1)[NH2+]Cc1ccc(C[NH+]2CCCC2)cc1 ZINC000453083043 298060192 /nfs/dbraw/zinc/06/01/92/298060192.db2.gz LDZXDMSSLJATHK-MRXNPFEDSA-N 2 0 310.445 2.793 20 0 DFADRP C[C@H](CO)C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H]2CCC[C@H]21 ZINC000453087897 298060760 /nfs/dbraw/zinc/06/07/60/298060760.db2.gz JRGDJVVIACUYCE-GDAAHCPNSA-N 2 0 302.462 2.648 20 0 DFADRP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCc3nc(C(C)(C)C)cn3C2)c2nccn21 ZINC000453092002 298061315 /nfs/dbraw/zinc/06/13/15/298061315.db2.gz RYLQJUDXFZOWJL-MGPQQGTHSA-N 2 0 313.449 2.988 20 0 DFADRP CCN1CC[NH+](CCCC[NH2+][C@H](C2CC2)C2CCCC2)CC1 ZINC000453098884 298061733 /nfs/dbraw/zinc/06/17/33/298061733.db2.gz XJJXTUWKSXEQTA-IBGZPJMESA-N 2 0 307.526 2.963 20 0 DFADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+][C@H](C2CC2)C2CCCC2)CC1 ZINC000453115228 298063384 /nfs/dbraw/zinc/06/33/84/298063384.db2.gz WUJUCRKSMNQMOL-LPHOPBHVSA-N 2 0 307.526 2.818 20 0 DFADRP C[N@@H+]1CCN(CC[NH2+]C2CCc3ccccc3CC2)CC1(C)C ZINC000453224069 298073052 /nfs/dbraw/zinc/07/30/52/298073052.db2.gz TYCJIROVWJNSEU-UHFFFAOYSA-N 2 0 315.505 2.550 20 0 DFADRP c1n[nH]cc1CC[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@H]2CCC[C@@H]21 ZINC000453251845 298075177 /nfs/dbraw/zinc/07/51/77/298075177.db2.gz MCGUPHWLPKBFGT-AABGKKOBSA-N 2 0 324.472 2.985 20 0 DFADRP CO[C@H](C[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@H]21)Cc1ccccc1 ZINC000453268238 298079024 /nfs/dbraw/zinc/07/90/24/298079024.db2.gz NTTYWVTYVNWTJK-OKYOBFRVSA-N 2 0 302.462 2.707 20 0 DFADRP O[C@H](C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)C1CCC1 ZINC000453389507 298089485 /nfs/dbraw/zinc/08/94/85/298089485.db2.gz RKDZAJIEBFIQOG-YSTOQKLRSA-N 2 0 314.473 2.933 20 0 DFADRP C[C@@H]([NH2+]CCCC[N@H+](C)C1CC1)c1ccc([S@@](C)=O)cc1 ZINC000453419338 298092517 /nfs/dbraw/zinc/09/25/17/298092517.db2.gz YVDYSRRZKZGYOD-SPLOXXLWSA-N 2 0 308.491 2.949 20 0 DFADRP C[C@H]([NH2+]CCCC[N@H+](C)C1CC1)c1ccc([S@@](C)=O)cc1 ZINC000453419336 298092608 /nfs/dbraw/zinc/09/26/08/298092608.db2.gz YVDYSRRZKZGYOD-LHSJRXKWSA-N 2 0 308.491 2.949 20 0 DFADRP C[C@H](CC(=O)N(CC[NH+](C)C)c1ccccc1)[C@H]1CCC[NH2+]C1 ZINC000237514214 298285183 /nfs/dbraw/zinc/28/51/83/298285183.db2.gz BEVGQHALLJLQPH-SJORKVTESA-N 2 0 317.477 2.607 20 0 DFADRP Cc1cc(C)c(NC(=O)N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)c(C)n1 ZINC000455489589 298369137 /nfs/dbraw/zinc/36/91/37/298369137.db2.gz VRPDLMKKEDPXNE-LSDHHAIUSA-N 2 0 302.422 2.755 20 0 DFADRP C[C@H]([NH3+])CCC(=O)NCC1([NH2+][C@@H](C)c2ccccc2)CCCC1 ZINC000262827294 298953057 /nfs/dbraw/zinc/95/30/57/298953057.db2.gz PZLLKQGWIFBKST-HOTGVXAUSA-N 2 0 317.477 2.894 20 0 DFADRP C[C@@H]([NH2+][C@@H](C)Cn1ccnc1)[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000496026549 300008802 /nfs/dbraw/zinc/00/88/02/300008802.db2.gz NPCOCKHQKGYMFK-ZNMIVQPWSA-N 2 0 322.453 2.649 20 0 DFADRP CC[C@@H]([NH2+]C[C@H]([NH3+])C(C)C)[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000496050308 300012508 /nfs/dbraw/zinc/01/25/08/300012508.db2.gz SXYQBRPNMZUSNJ-RRFJBIMHSA-N 2 0 313.486 2.737 20 0 DFADRP COC(=O)N1CCC[C@H]([C@H](C)[NH2+][C@H]2C[C@@H]([NH3+])c3ccccc32)C1 ZINC000496283791 300040485 /nfs/dbraw/zinc/04/04/85/300040485.db2.gz MLLJBHHACJZDFK-CLROSIBMSA-N 2 0 317.433 2.588 20 0 DFADRP C[C@H]([NH2+][C@@H]1CCC[C@H]([NH3+])C1)c1cccc(N2CCOC2=O)c1 ZINC000496284983 300041116 /nfs/dbraw/zinc/04/11/16/300041116.db2.gz QDTJAOADEAKHND-AEGPPILISA-N 2 0 303.406 2.564 20 0 DFADRP C[C@@H](CC[NH+](C)C)[NH2+][C@@H](C)[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000496347365 300050207 /nfs/dbraw/zinc/05/02/07/300050207.db2.gz WQBDYFZCKTZTKX-KKUMJFAQSA-N 2 0 313.486 2.704 20 0 DFADRP CC(C)[NH+]1CCC([NH2+][C@H](C)CCNC(=O)OC(C)(C)C)CC1 ZINC000496569436 300081607 /nfs/dbraw/zinc/08/16/07/300081607.db2.gz XJVHPXRJTKBXFW-CQSZACIVSA-N 2 0 313.486 2.752 20 0 DFADRP C[C@@H](CCCNC(=O)OC(C)(C)C)[NH2+]CCN1CC[C@@H](C)C1 ZINC000496582331 300083393 /nfs/dbraw/zinc/08/33/93/300083393.db2.gz JVDRLVSEGAGZOB-CABCVRRESA-N 2 0 313.486 2.611 20 0 DFADRP CCOC(=O)N1CCC([NH2+][C@@H](CCC[NH3+])c2ccccc2)CC1 ZINC000496983499 300142651 /nfs/dbraw/zinc/14/26/51/300142651.db2.gz ZAOATHOUJKPKCI-KRWDZBQOSA-N 2 0 319.449 2.677 20 0 DFADRP COC(=O)Nc1ccc(CC[NH2+][C@@H]2CCCC[C@@H]2C[NH3+])cc1 ZINC000497106861 300162360 /nfs/dbraw/zinc/16/23/60/300162360.db2.gz MBWZURQKKKTZLL-GDBMZVCRSA-N 2 0 305.422 2.515 20 0 DFADRP CC[C@@H]([NH2+]C[C@@H](C)C[NH2+]C)[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000497144233 300168640 /nfs/dbraw/zinc/16/86/40/300168640.db2.gz IYYLDQQULIHXOU-RRFJBIMHSA-N 2 0 313.486 2.610 20 0 DFADRP CC[C@H]([NH2+]C[C@H](C)C[NH2+]C)[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000497144226 300168778 /nfs/dbraw/zinc/16/87/78/300168778.db2.gz IYYLDQQULIHXOU-QLFBSQMISA-N 2 0 313.486 2.610 20 0 DFADRP c1ccc2c(c1)CC[C@@H]([NH2+]C1CC[NH+](CC3CC3)CC1)CO2 ZINC000511019527 300247867 /nfs/dbraw/zinc/24/78/67/300247867.db2.gz TWUAHVBXIBMVQP-GOSISDBHSA-N 2 0 300.446 2.844 20 0 DFADRP c1c2ccccc2oc1CN[C@@H]1CCOC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000514666963 300264978 /nfs/dbraw/zinc/26/49/78/300264978.db2.gz DRZPSEKLZNBRIW-YESZJQIVSA-N 2 0 300.402 2.680 20 0 DFADRP C[C@H]([NH2+]CCc1nc2ccccc2n1C(F)F)[C@H]1CCC[NH2+]C1 ZINC000514667615 300265551 /nfs/dbraw/zinc/26/55/51/300265551.db2.gz AITUUPRQHRTBNH-STQMWFEESA-N 2 0 322.403 2.952 20 0 DFADRP C[C@@H]1C[C@@H](C[N@@H+]2CC[C@H](N(C)CCc3ccccc3)C2)CC[NH2+]1 ZINC000514734963 300269334 /nfs/dbraw/zinc/26/93/34/300269334.db2.gz QSKDCXAGILWNON-HOJAQTOUSA-N 2 0 315.505 2.623 20 0 DFADRP CC[NH+](CC)[C@H](CN[C@H](C)[C@@H]1CCC[NH2+]C1)Cc1ccccc1 ZINC000515413256 300305426 /nfs/dbraw/zinc/30/54/26/300305426.db2.gz QOAXOKUHKCRNSP-RLLQIKCJSA-N 2 0 317.521 2.917 20 0 DFADRP COc1cc(F)c(C[NH2+]C2CCC([NH+](C)C)CC2)cc1OC ZINC000516301662 300339406 /nfs/dbraw/zinc/33/94/06/300339406.db2.gz OKMLNOGMSWBZBZ-UHFFFAOYSA-N 2 0 310.413 2.805 20 0 DFADRP CC[C@H](O)C[NH2+]C[C@H]1CCN(C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000517025357 300378048 /nfs/dbraw/zinc/37/80/48/300378048.db2.gz OTFNTEKALLBGCP-DVOMOZLQSA-N 2 0 314.832 2.832 20 0 DFADRP Cn1ccnc1[C@H]([NH2+][C@@H]1CC[C@@H](C[NH3+])C1)c1ccc(Cl)cc1 ZINC000517918864 300411535 /nfs/dbraw/zinc/41/15/35/300411535.db2.gz WAOXKCPFNHWBDO-DAXOMENPSA-N 2 0 318.852 2.880 20 0 DFADRP CC[NH+](CC)CCn1ccc2cc(NC(=O)CCC[NH3+])ccc21 ZINC000519393610 300451930 /nfs/dbraw/zinc/45/19/30/300451930.db2.gz ZDBNUDBFKTWOOZ-UHFFFAOYSA-N 2 0 316.449 2.661 20 0 DFADRP CC1CCN(c2ccc(C[NH2+][C@H]3CCC[C@@H]([NH3+])C3)cn2)CC1 ZINC000519613789 300463196 /nfs/dbraw/zinc/46/31/96/300463196.db2.gz NDTGYGSAISFFPW-SJORKVTESA-N 2 0 302.466 2.677 20 0 DFADRP C[C@H]1CC[C@H](C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)CC1 ZINC000521256876 300521611 /nfs/dbraw/zinc/52/16/11/300521611.db2.gz YDMIAMIQZRINPL-QAQDUYKDSA-N 2 0 311.514 2.545 20 0 DFADRP C[C@@H]([NH2+]CC1(N2CCCCC2)CC[NH+](C)CC1)[C@@H]1CC12CC2 ZINC000527872010 300704661 /nfs/dbraw/zinc/70/46/61/300704661.db2.gz WIZCBSAGBZOVEH-SJORKVTESA-N 2 0 305.510 2.715 20 0 DFADRP C[C@]1(C(=O)NC[C@@H](c2cccs2)[NH+]2CCCC2)CCCC[NH2+]1 ZINC000237564829 300763428 /nfs/dbraw/zinc/76/34/28/300763428.db2.gz XTXAIKKUUDMSQC-WMLDXEAASA-N 2 0 321.490 2.533 20 0 DFADRP CC(C)[C@H](C(=O)NC[C@H]1CC[N@@H+]1C1CCCC1)[NH+]1CCCCC1 ZINC000530023203 301005201 /nfs/dbraw/zinc/00/52/01/301005201.db2.gz CSZZAZBQRKNRPZ-QZTJIDSGSA-N 2 0 321.509 2.630 20 0 DFADRP [NH3+]CC1CCC([NH2+]CCc2cccc3c2OC(F)(F)O3)CC1 ZINC000530215949 301029869 /nfs/dbraw/zinc/02/98/69/301029869.db2.gz KSFHVKUCHURMAY-UHFFFAOYSA-N 2 0 312.360 2.658 20 0 DFADRP C[C@@H](N[C@H]1CC[NH2+]C12CCC2)c1ccc(OCC[NH+](C)C)cc1 ZINC000530217034 301030378 /nfs/dbraw/zinc/03/03/78/301030378.db2.gz FKWAADONCAGAAL-QAPCUYQASA-N 2 0 317.477 2.562 20 0 DFADRP C[C@@H](N[C@@H]1CC[NH2+]C12CCC2)c1ccc(OCC[NH+](C)C)cc1 ZINC000530217031 301030524 /nfs/dbraw/zinc/03/05/24/301030524.db2.gz FKWAADONCAGAAL-CRAIPNDOSA-N 2 0 317.477 2.562 20 0 DFADRP CO[C@H](Cc1ccc(F)cc1)C[N@@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000530220089 301031289 /nfs/dbraw/zinc/03/12/89/301031289.db2.gz IMJGQZQFPZWNIP-ZHALLVOQSA-N 2 0 320.452 2.705 20 0 DFADRP CO[C@@H](C[N@@H+]1CC2(C[C@@H]1C)CC[NH2+]CC2)c1ccc(F)cc1 ZINC000530227394 301032350 /nfs/dbraw/zinc/03/23/50/301032350.db2.gz WZMVJIVAGLMKGF-YOEHRIQHSA-N 2 0 306.425 2.977 20 0 DFADRP Cc1cc(F)ccc1C[NH+]1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000530248301 301033818 /nfs/dbraw/zinc/03/38/18/301033818.db2.gz IMDLNMRNDFARBR-GOSISDBHSA-N 2 0 306.425 2.725 20 0 DFADRP C[C@H](C[C@H]1CCCCC[NH2+]1)Nc1ccc2c(c1)OCC[NH2+]C2 ZINC000530247483 301033844 /nfs/dbraw/zinc/03/38/44/301033844.db2.gz UVVZXITZJFBTAQ-GDBMZVCRSA-N 2 0 303.450 2.891 20 0 DFADRP CC[NH+]1CCN([C@@H](C)C[NH2+][C@@H](C)c2ccc(C)cc2OC)CC1 ZINC000531946426 301120337 /nfs/dbraw/zinc/12/03/37/301120337.db2.gz PDZVHUITDYJBED-IRXDYDNUSA-N 2 0 319.493 2.680 20 0 DFADRP OC1(C(F)(F)F)CCC([NH2+]C2CC[NH+](CC3CC3)CC2)CC1 ZINC000531955566 301120914 /nfs/dbraw/zinc/12/09/14/301120914.db2.gz YZGMGIZWAJGYIB-UHFFFAOYSA-N 2 0 320.399 2.686 20 0 DFADRP C[C@H](C[NH2+][C@H]1CCc2c1cccc2Cl)CN1CC[NH+](C)CC1 ZINC000532216427 301137181 /nfs/dbraw/zinc/13/71/81/301137181.db2.gz QCTFXSFLVRKRQV-KDOFPFPSSA-N 2 0 321.896 2.800 20 0 DFADRP C[NH+](C)[C@@H]1CCC[C@@H]([NH2+]C2CCC(O)(C(F)(F)F)CC2)C1 ZINC000532549628 301159294 /nfs/dbraw/zinc/15/92/94/301159294.db2.gz FURGPYFEGMCBCW-CEUNDQEZSA-N 2 0 308.388 2.685 20 0 DFADRP Cc1cc(C)c2c(c1)[C@@H]([NH2+]CC1(O)CC[NH+](C)CC1)CCCO2 ZINC000269069435 301209446 /nfs/dbraw/zinc/20/94/46/301209446.db2.gz WOVQOBWPYPMLCI-KRWDZBQOSA-N 2 0 318.461 2.563 20 0 DFADRP C[C@H](c1nc2ccccc2c(=O)[nH]1)N1CC[C@H](c2nccn2C)C1 ZINC000533864772 301214860 /nfs/dbraw/zinc/21/48/60/301214860.db2.gz BJOUPROVMXZCER-OLZOCXBDSA-N 2 0 323.400 2.619 20 0 DFADRP CN1CC[NH+](CCCC[NH2+][C@@H]2CCc3ccc(Cl)cc32)CC1 ZINC000534261964 301222349 /nfs/dbraw/zinc/22/23/49/301222349.db2.gz VQNYOXXOXAMBII-GOSISDBHSA-N 2 0 321.896 2.945 20 0 DFADRP C[C@H]1CCCC[N@@H+]1CCC1CC[NH+]([C@@H]2CCCN(C)C2=O)CC1 ZINC000537607187 301305576 /nfs/dbraw/zinc/30/55/76/301305576.db2.gz SBTPGXKQEBACME-FUHWJXTLSA-N 2 0 321.509 2.584 20 0 DFADRP CC[C@H]1CCC[C@H]1[NH2+]Cc1ccc(C(=O)NCC[NH+](C)C)cc1 ZINC000539072682 301337757 /nfs/dbraw/zinc/33/77/57/301337757.db2.gz ZWYHSCVEXNSNGO-FUHWJXTLSA-N 2 0 317.477 2.646 20 0 DFADRP CCc1ccc(C[N@@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@@H]32)s1 ZINC000539898600 301353089 /nfs/dbraw/zinc/35/30/89/301353089.db2.gz YBZSPUWJVJZRIC-XOKHGSTOSA-N 2 0 308.491 2.994 20 0 DFADRP CC(C)[C@H]([NH2+]Cc1ccccc1C[N@@H+]1CC[C@@H](O)C1)C1CC1 ZINC000540988413 301380195 /nfs/dbraw/zinc/38/01/95/301380195.db2.gz LFIBUVNANQZTAP-MOPGFXCFSA-N 2 0 302.462 2.777 20 0 DFADRP CC[N@H+](CCC1CC[NH+]([C@H](C(=O)OC)C2CC2)CC1)CC1CC1 ZINC000541057372 301382007 /nfs/dbraw/zinc/38/20/07/301382007.db2.gz HCGMPXGPBJYKOT-SFHVURJKSA-N 2 0 322.493 2.772 20 0 DFADRP CC(C)[C@@H]([NH2+]CCCC[NH+]1CCN(C)CC1)c1ccc(F)cn1 ZINC000541849722 301398832 /nfs/dbraw/zinc/39/88/32/301398832.db2.gz HQXFDTWMFBIDGC-GOSISDBHSA-N 2 0 322.472 2.535 20 0 DFADRP C[NH+]1CCN(C[C@H]([NH2+][C@H]2CCC[C@H]3C[C@H]32)c2ccccc2)CC1 ZINC000549033852 301627135 /nfs/dbraw/zinc/62/71/35/301627135.db2.gz BMCVYSNGYPTYGC-YRPNKDGESA-N 2 0 313.489 2.753 20 0 DFADRP CC[C@@H]1CCC[C@@H]([NH2+]CC(=O)NCC[NH+]2CCCCCC2)C1 ZINC000552065325 301679176 /nfs/dbraw/zinc/67/91/76/301679176.db2.gz QXUACSYDKDWIEE-IAGOWNOFSA-N 2 0 309.498 2.537 20 0 DFADRP CC1=CCC[C@@H](C)[C@H]1C[NH2+]CC(=O)NCC[NH+]1CCCCCC1 ZINC000552279555 301688644 /nfs/dbraw/zinc/68/86/44/301688644.db2.gz RYNLGUWEHINCET-MSOLQXFVSA-N 2 0 321.509 2.561 20 0 DFADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+]Cc1cnc([C@H]2CCCO2)s1 ZINC000556952950 301821438 /nfs/dbraw/zinc/82/14/38/301821438.db2.gz ZWAJDIREAXUCMR-WGNAFFPOSA-N 2 0 307.463 2.600 20 0 DFADRP CCC(C)(C)[C@@H](C)[NH2+]Cc1ccc(C(=O)NCC[NH+](C)C)cc1 ZINC000560344123 301890529 /nfs/dbraw/zinc/89/05/29/301890529.db2.gz HHCCYYHAZDYLPU-OAHLLOKOSA-N 2 0 319.493 2.892 20 0 DFADRP CCc1ccccc1[C@H]([NH3+])CN[C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000560966704 301918834 /nfs/dbraw/zinc/91/88/34/301918834.db2.gz LDRBDCRSXVJYLW-WJFTUGDTSA-N 2 0 301.478 2.759 20 0 DFADRP CC[NH+]1CCC([NH2+]CCC(=O)Nc2cccc(F)c2C)CC1 ZINC000562985208 302021383 /nfs/dbraw/zinc/02/13/83/302021383.db2.gz JPZJXVZNMDVMHG-UHFFFAOYSA-N 2 0 307.413 2.537 20 0 DFADRP CCC[C@H]1CCCC[C@@H]1[NH2+]CC(=O)NC1CC[NH+](C(C)C)CC1 ZINC000563223773 302052067 /nfs/dbraw/zinc/05/20/67/302052067.db2.gz GJFVJBSKGQBMOX-WMZOPIPTSA-N 2 0 323.525 2.924 20 0 DFADRP CCO[C@@H]1C[C@@H]([N@H+](C)Cc2ccc3c(c2)C[NH2+]CC3)C1(C)C ZINC000563269534 302056498 /nfs/dbraw/zinc/05/64/98/302056498.db2.gz VGJIAFZJBGDOJU-QZTJIDSGSA-N 2 0 302.462 2.968 20 0 DFADRP CCC[NH+](CCC)CCCC(=O)N(CC)[C@@H]1CCC[NH2+]CC1 ZINC000563411311 302069178 /nfs/dbraw/zinc/06/91/78/302069178.db2.gz CNLADCDTCWVNDZ-QGZVFWFLSA-N 2 0 311.514 2.879 20 0 DFADRP Cc1nn(C)c2ncc(CNCC[NH2+]C3CCCCCC3)cc12 ZINC000563435555 302072819 /nfs/dbraw/zinc/07/28/19/302072819.db2.gz LKBPBEWNKYEEGZ-UHFFFAOYSA-N 2 0 315.465 2.679 20 0 DFADRP C[C@@H](C[NH2+][C@@H]1CCC[NH2+]CC1)c1nc(-c2ccccc2)no1 ZINC000563804425 302099357 /nfs/dbraw/zinc/09/93/57/302099357.db2.gz FWSJJKLFJQJIFZ-DZGCQCFKSA-N 2 0 300.406 2.572 20 0 DFADRP c1c(C[NH2+][C@@H]2CCCC23CCOCC3)onc1C1CC[NH2+]CC1 ZINC000564320491 302128457 /nfs/dbraw/zinc/12/84/57/302128457.db2.gz PNAQSRHPSKURMZ-QGZVFWFLSA-N 2 0 319.449 2.581 20 0 DFADRP CC[C@H]1CCCC[N@@H+]1CCNC(=O)Nc1ccn2ccnc2c1 ZINC000564423225 302133870 /nfs/dbraw/zinc/13/38/70/302133870.db2.gz NYTKNOXXCBKJDK-HNNXBMFYSA-N 2 0 315.421 2.720 20 0 DFADRP CC1(C)C[NH2+]CC[C@H]1NC(=O)CC[C@@H]([NH3+])CC1CCCCC1 ZINC000564441462 302134897 /nfs/dbraw/zinc/13/48/97/302134897.db2.gz GPKNGXDDSXLTCI-HZPDHXFCSA-N 2 0 309.498 2.569 20 0 DFADRP CCCC[N@H+](C)C[C@H](C)NC(=O)[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC000564545348 302140341 /nfs/dbraw/zinc/14/03/41/302140341.db2.gz GATMECMJCAYWAW-DLBZAZTESA-N 2 0 323.525 2.878 20 0 DFADRP COc1cccc2c1CC[N@H+](Cc1ccc3c(c1)C[NH2+]CC3)CC2 ZINC000564662026 302148560 /nfs/dbraw/zinc/14/85/60/302148560.db2.gz VBBPZFXZQGFFFQ-UHFFFAOYSA-N 2 0 322.452 2.942 20 0 DFADRP C[C@H]([NH2+]CC[C@@H]1CCC[NH2+]C1)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000564822047 302161074 /nfs/dbraw/zinc/16/10/74/302161074.db2.gz GFQGFYWYHKVCGK-KBPBESRZSA-N 2 0 315.461 2.957 20 0 DFADRP CC[NH+](CC)Cc1cccc(C[NH2+]C[C@](C)(O)C(F)(F)F)c1 ZINC000564845050 302163137 /nfs/dbraw/zinc/16/31/37/302163137.db2.gz PINFVRAUYWLTNR-HNNXBMFYSA-N 2 0 318.383 2.931 20 0 DFADRP C[C@H]1CCCC[N@@H+]1CCCC[NH2+]C[C@H](O)COc1ccccc1 ZINC000564845975 302163859 /nfs/dbraw/zinc/16/38/59/302163859.db2.gz YAQWLAREBHYPLC-ROUUACIJSA-N 2 0 320.477 2.671 20 0 DFADRP C[C@@H](CC[NH+](C)C)[NH2+]C[C@@H](O)COc1ccc2ccccc2c1 ZINC000564857305 302165245 /nfs/dbraw/zinc/16/52/45/302165245.db2.gz SGCIRJMCEFCCIN-MAUKXSAKSA-N 2 0 316.445 2.509 20 0 DFADRP Cc1c(F)cccc1NC(=O)CC[NH2+]C1CCC([NH+](C)C)CC1 ZINC000564859283 302165632 /nfs/dbraw/zinc/16/56/32/302165632.db2.gz XDBZGXBMJQVBEX-UHFFFAOYSA-N 2 0 321.440 2.925 20 0 DFADRP CC(C)[NH+](CCCNC(=O)[C@H](C)[C@H]([NH3+])c1ccccc1)C(C)C ZINC000564924696 302173794 /nfs/dbraw/zinc/17/37/94/302173794.db2.gz NYINMWYERLXTHC-AEFFLSMTSA-N 2 0 319.493 2.948 20 0 DFADRP CC[NH2+]Cc1ccccc1NC(=O)[C@H]1C[NH2+]Cc2ccccc21 ZINC000564982949 302179160 /nfs/dbraw/zinc/17/91/60/302179160.db2.gz DKYYUKWKBHTXIM-KRWDZBQOSA-N 2 0 309.413 2.622 20 0 DFADRP C[C@@H]1C[C@H](NC2CC([NH+](C)C)C2)CC[N@@H+]1Cc1ccccc1 ZINC000565218803 302208697 /nfs/dbraw/zinc/20/86/97/302208697.db2.gz PCKPQNRBTDVMCO-BJMVHTGZSA-N 2 0 301.478 2.722 20 0 DFADRP [NH3+][C@@H]1CCC[C@H]([NH2+]CCc2nc(-c3cccc(Cl)c3)no2)C1 ZINC000565225617 302210417 /nfs/dbraw/zinc/21/04/17/302210417.db2.gz GHZFJYGLACTDMF-KGLIPLIRSA-N 2 0 320.824 2.792 20 0 DFADRP C[C@H]([NH2+][C@@H](C)[C@H]1CCC[NH2+]C1)c1ccc2c(c1)CCC(=O)N2 ZINC000565298508 302216282 /nfs/dbraw/zinc/21/62/82/302216282.db2.gz WNGGTANQQPDAQB-XEZPLFJOSA-N 2 0 301.434 2.610 20 0 DFADRP c1ccc(CN2CC[C@@H]([NH2+]C[C@H]3CCCO3)CC23CC3)cc1 ZINC000565304464 302216903 /nfs/dbraw/zinc/21/69/03/302216903.db2.gz ZBYFCQLLEBUACA-QZTJIDSGSA-N 2 0 300.446 2.952 20 0 DFADRP CC[NH2+]Cc1cccc(NC(=O)[C@H]2C[NH2+]Cc3ccccc32)c1 ZINC000565717467 302239179 /nfs/dbraw/zinc/23/91/79/302239179.db2.gz ZZKLWQFMIAEUEN-SFHVURJKSA-N 2 0 309.413 2.622 20 0 DFADRP CCC[NH+](CCC)CCCC(=O)N1CC2CCC1(C[NH3+])CC2 ZINC000566016902 302253959 /nfs/dbraw/zinc/25/39/59/302253959.db2.gz HVMNMDJCMOQXOB-UHFFFAOYSA-N 2 0 309.498 2.619 20 0 DFADRP CCOC(=O)[C@H]1CC[C@@H]([NH2+]CC2CC[NH2+]CC2)c2ccccc21 ZINC000566087983 302258043 /nfs/dbraw/zinc/25/80/43/302258043.db2.gz JCVYSXHYJGGHJO-ZWKOTPCHSA-N 2 0 316.445 2.757 20 0 DFADRP [NH3+][C@H]1C[C@@H](NC2CC[NH+](Cc3ccncc3)CC2)c2ccccc21 ZINC000566089239 302258341 /nfs/dbraw/zinc/25/83/41/302258341.db2.gz JDKWKPQNLBPMQL-VQTJNVASSA-N 2 0 322.456 2.780 20 0 DFADRP Cn1ccnc1[C@@H]([NH2+]C1CCC(C[NH3+])CC1)c1cccc(F)c1 ZINC000566089032 302258359 /nfs/dbraw/zinc/25/83/59/302258359.db2.gz DJHYCMUFETTWSK-IMRCBTMISA-N 2 0 316.424 2.756 20 0 DFADRP CCOC(=O)C1([C@@H](C)[NH2+][C@H](C)Cc2ccsc2)CC[NH2+]CC1 ZINC000566089160 302258477 /nfs/dbraw/zinc/25/84/77/302258477.db2.gz AHQNQOOHPQONPF-ZIAGYGMSSA-N 2 0 324.490 2.590 20 0 DFADRP O=C(CC[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1)NC1CCCCC1 ZINC000566089598 302258541 /nfs/dbraw/zinc/25/85/41/302258541.db2.gz VNWBWSQBECOQQW-FGTMMUONSA-N 2 0 321.509 2.726 20 0 DFADRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H]2CCC[C@H](F)C2)[C@@H](C)C1 ZINC000566220325 302268708 /nfs/dbraw/zinc/26/87/08/302268708.db2.gz JPVOBCVKJFCOME-NXOAAHMSSA-N 2 0 300.462 2.994 20 0 DFADRP Cn1cncc1CCC[N@@H+]1CCCN(c2ccccc2F)CC1 ZINC000566426228 302285211 /nfs/dbraw/zinc/28/52/11/302285211.db2.gz QKDIKPZFPPGFDD-UHFFFAOYSA-N 2 0 316.424 2.704 20 0 DFADRP Oc1cccnc1C[N@@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000566535144 302293511 /nfs/dbraw/zinc/29/35/11/302293511.db2.gz VICQCUXWUWFCDX-ZWKOTPCHSA-N 2 0 323.440 2.741 20 0 DFADRP COCCCOc1ccc(C[NH2+][C@@H](C)[C@@H]2CCC[NH2+]C2)cc1 ZINC000566555757 302294870 /nfs/dbraw/zinc/29/48/70/302294870.db2.gz XIBMGYPORGKPPU-DOTOQJQBSA-N 2 0 306.450 2.580 20 0 DFADRP CCc1cccc(OC[C@@H](O)C[NH2+][C@H](C)C(C)(C)C[NH+](C)C)c1 ZINC000566673638 302302660 /nfs/dbraw/zinc/30/26/60/302302660.db2.gz UVYOIYGHKIIBHS-WBVHZDCISA-N 2 0 322.493 2.555 20 0 DFADRP CC(C)[NH+](CCCNC(=O)[C@H]1CCCCCC[C@@H]1[NH3+])C(C)C ZINC000566676434 302303512 /nfs/dbraw/zinc/30/35/12/302303512.db2.gz NFQIQKRHHYVVDT-IRXDYDNUSA-N 2 0 311.514 2.909 20 0 DFADRP COc1ccc(OC2CC[NH+](CC3CC[NH2+]CC3)CC2)cc1 ZINC000566836803 302315349 /nfs/dbraw/zinc/31/53/49/302315349.db2.gz NAXSYYXVIIIAIU-UHFFFAOYSA-N 2 0 304.434 2.538 20 0 DFADRP Cc1nnsc1C[NH+]1CCC(CCC[NH+]2CCCC2)CC1 ZINC000567052269 302331887 /nfs/dbraw/zinc/33/18/87/302331887.db2.gz TTXLEQVLQQCQAT-UHFFFAOYSA-N 2 0 308.495 2.935 20 0 DFADRP C[C@@H]1C[C@@H]([NH2+]CC2CCN(c3cc[nH+]cc3)CC2)C[C@H](C)O1 ZINC000567336022 302350781 /nfs/dbraw/zinc/35/07/81/302350781.db2.gz FODUGXQHZNLXOS-SCAQPMJSSA-N 2 0 303.450 2.844 20 0 DFADRP C[N@H+](CCc1ccccc1)[C@@H]1CCN(CC[NH2+]C(C)(C)C)C1 ZINC000567408144 302357108 /nfs/dbraw/zinc/35/71/08/302357108.db2.gz YAXHXPNURFOUIT-GOSISDBHSA-N 2 0 303.494 2.623 20 0 DFADRP C[N@@H+]1CC[C@]2(CCN(Cc3cnc(-c4ccccc4)nc3)C2)C1 ZINC000567561247 302368169 /nfs/dbraw/zinc/36/81/69/302368169.db2.gz ZIRSUDLRGDJZBN-IBGZPJMESA-N 2 0 308.429 2.671 20 0 DFADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]C[C@@H](c1ccc(Cl)cc1)N(C)C ZINC000567642517 302375848 /nfs/dbraw/zinc/37/58/48/302375848.db2.gz OHGBHOHOUDIXHW-COXVUDFISA-N 2 0 309.885 2.920 20 0 DFADRP Cc1cc(C)c(NC(=O)[C@@H](C)[NH+]2CCC(CC[NH3+])CC2)c(C)c1 ZINC000568056997 302413762 /nfs/dbraw/zinc/41/37/62/302413762.db2.gz KMFKXYKMPICZHH-MRXNPFEDSA-N 2 0 317.477 3.000 20 0 DFADRP C[C@H]([NH2+]CCOc1cccc(Cl)c1Cl)[C@H]1CC[NH2+]C1 ZINC000568381408 302445414 /nfs/dbraw/zinc/44/54/14/302445414.db2.gz HEMGTCJVJYAPRG-QWRGUYRKSA-N 2 0 303.233 2.960 20 0 DFADRP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+][C@@H]1Cc2cccc(O)c2C1 ZINC000570348810 302569532 /nfs/dbraw/zinc/56/95/32/302569532.db2.gz ZBSWONRKJPDNDV-MRXNPFEDSA-N 2 0 320.396 2.538 20 0 DFADRP C[NH+](C)CCC1CCN(C(=O)c2ccccc2C[NH+](C)C)CC1 ZINC000572309687 302654644 /nfs/dbraw/zinc/65/46/44/302654644.db2.gz CCMPNYPAZUDZJE-UHFFFAOYSA-N 2 0 317.477 2.552 20 0 DFADRP C[NH+](C)CCOc1ccccc1C[NH2+]C[C@@H](O)C1CCCCC1 ZINC000572356357 302657204 /nfs/dbraw/zinc/65/72/04/302657204.db2.gz HBWSIKKGCGQVLG-GOSISDBHSA-N 2 0 320.477 2.658 20 0 DFADRP Cc1ncc([C@H](C)[NH2+]CCCC[NH+]2C[C@@H](C)O[C@H](C)C2)c(C)n1 ZINC000358032943 302703479 /nfs/dbraw/zinc/70/34/79/302703479.db2.gz DSGBYCPFGMZWMV-KFWWJZLASA-N 2 0 320.481 2.633 20 0 DFADRP CC[NH+](CC)Cc1ccccc1CNc1cc[nH+]cc1C(N)=O ZINC000180007149 316024470 /nfs/dbraw/zinc/02/44/70/316024470.db2.gz IULFGYOLDREEHE-UHFFFAOYSA-N 2 0 312.417 2.634 20 0 DFADRP CCCC[N@H+](C)CC1CC[NH+](CCO[C@@H]2CCCCO2)CC1 ZINC000185193334 316182575 /nfs/dbraw/zinc/18/25/75/316182575.db2.gz MZLALYSFGVPXHO-GOSISDBHSA-N 2 0 312.498 2.974 20 0 DFADRP C[C@@H]([NH2+]CCC(=O)NC1CCCC1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185749771 316191633 /nfs/dbraw/zinc/19/16/33/316191633.db2.gz HEKGKQKZRAETCX-CVEARBPZSA-N 2 0 321.509 2.678 20 0 DFADRP CC(=O)Nc1ccc(CN2CCCC[C@H]2[C@H]2CCC[NH2+]2)cc1 ZINC000316328648 316245480 /nfs/dbraw/zinc/24/54/80/316245480.db2.gz BSHXBJDCWMSBAJ-MSOLQXFVSA-N 2 0 301.434 2.752 20 0 DFADRP COc1cc2c(cc1C[N@@H+]1CCC[C@H](CC[NH3+])C1)O[C@@H](C)C2 ZINC000317068391 316246909 /nfs/dbraw/zinc/24/69/09/316246909.db2.gz ZJTOESVPZZCNPJ-UONOGXRCSA-N 2 0 304.434 2.579 20 0 DFADRP CC(C)[N@H+](C)CC1CCN(C(=O)C[C@H](C)[C@H]2CCC[NH2+]C2)CC1 ZINC000321410382 316256560 /nfs/dbraw/zinc/25/65/60/316256560.db2.gz UDPOUMQYBAWEAW-WMZOPIPTSA-N 2 0 323.525 2.591 20 0 DFADRP CC(C)[N@H+](C)CC1CCN(C(=O)C[C@@H](C)[C@H]2CCC[NH2+]C2)CC1 ZINC000321410356 316256763 /nfs/dbraw/zinc/25/67/63/316256763.db2.gz UDPOUMQYBAWEAW-AEFFLSMTSA-N 2 0 323.525 2.591 20 0 DFADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@@H](c2ccccc2OC)N(C)C)[C@@H](C)C1 ZINC000345248266 316316657 /nfs/dbraw/zinc/31/66/57/316316657.db2.gz KDYHZYBPYHDWBQ-SZMVWBNQSA-N 2 0 319.493 2.618 20 0 DFADRP CC(C)CC[C@@H]([NH2+][C@@H](C)CN1CC[NH+](C)CC1)c1ccoc1 ZINC000353498681 316522472 /nfs/dbraw/zinc/52/24/72/316522472.db2.gz AXTLZRYUUJLILS-FUHWJXTLSA-N 2 0 307.482 2.982 20 0 DFADRP Cc1cnccc1OC1CC[NH+](C[C@H]2CC[NH2+][C@H](C)C2)CC1 ZINC000414740383 316645013 /nfs/dbraw/zinc/64/50/13/316645013.db2.gz LFMUYOJJFXMZQU-CVEARBPZSA-N 2 0 303.450 2.621 20 0 DFADRP COc1ccc2nc(C[NH2+][C@H]3CCCC[C@H]3C[NH3+])sc2c1 ZINC000414801490 316662514 /nfs/dbraw/zinc/66/25/14/316662514.db2.gz LXEARESCVALOEK-AAEUAGOBSA-N 2 0 305.447 2.912 20 0 DFADRP CCCOc1cc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)ccc1OC ZINC000414806323 316663204 /nfs/dbraw/zinc/66/32/04/316663204.db2.gz BJKRTVHPFGETMH-XYPWUTKMSA-N 2 0 304.434 2.857 20 0 DFADRP COc1cc2c(c(C[NH2+][C@@H]3CCCC[C@H]3C[NH3+])c1)O[C@H](C)C2 ZINC000414810288 316665287 /nfs/dbraw/zinc/66/52/87/316665287.db2.gz VEYHFSXHRFECLH-IIYDPXPESA-N 2 0 304.434 2.626 20 0 DFADRP CO[C@H](C[NH2+]Cc1cn(-c2cc[nH+]cc2)nc1C)CC(C)C ZINC000418096574 316683127 /nfs/dbraw/zinc/68/31/27/316683127.db2.gz KCZOAICFUIRNSV-KRWDZBQOSA-N 2 0 302.422 2.726 20 0 DFADRP CO[C@@H](C[NH2+]Cc1cn(-c2cc[nH+]cc2)nc1C)CC(C)C ZINC000418096575 316683239 /nfs/dbraw/zinc/68/32/39/316683239.db2.gz KCZOAICFUIRNSV-QGZVFWFLSA-N 2 0 302.422 2.726 20 0 DFADRP CC[NH+](CC)CCOc1ccccc1NC(=O)[C@@H](C[NH3+])C(C)C ZINC000433120527 316878156 /nfs/dbraw/zinc/87/81/56/316878156.db2.gz ZAOVRHSBGVNWGC-HNNXBMFYSA-N 2 0 321.465 2.577 20 0 DFADRP CC(C)N(Cc1ccccc1)C(=O)CCC[NH+]1CCC([NH3+])CC1 ZINC000433128241 316878786 /nfs/dbraw/zinc/87/87/86/316878786.db2.gz WKRFPCJGJGIMMU-UHFFFAOYSA-N 2 0 317.477 2.627 20 0 DFADRP C[C@H](NC(=O)CCC[NH+]1CCC([NH3+])CC1)c1ccccc1Cl ZINC000433141641 316880938 /nfs/dbraw/zinc/88/09/38/316880938.db2.gz PTBZCSZJBSAVED-ZDUSSCGKSA-N 2 0 323.868 2.721 20 0 DFADRP Cc1ccc(NC(=O)CCC[NH+]2CCC([NH3+])CC2)c(Cl)c1 ZINC000433155042 316883199 /nfs/dbraw/zinc/88/31/99/316883199.db2.gz COBNPQLSSVIYCE-UHFFFAOYSA-N 2 0 309.841 2.790 20 0 DFADRP COC[C@H]([NH2+]Cc1cccc(OCC[NH+](C)C)c1)C1CCCC1 ZINC000446740823 317021263 /nfs/dbraw/zinc/02/12/63/317021263.db2.gz HSKIRWYFYHKDEK-IBGZPJMESA-N 2 0 320.477 2.922 20 0 DFADRP COc1cc2c(c(CNC3C[C@H]4CC[C@@H](C3)[N@H+]4C)c1)O[C@@H](C)C2 ZINC000449556768 317043358 /nfs/dbraw/zinc/04/33/58/317043358.db2.gz OJJXTXBABAIMHK-RJCAOGMDSA-N 2 0 316.445 2.733 20 0 DFADRP C[N@H+](CCN1CCC[C@@H]([NH+]2CCCC2)C1)Cc1ccccc1 ZINC000450264197 317077802 /nfs/dbraw/zinc/07/78/02/317077802.db2.gz FFJFUCWOBTWZGB-LJQANCHMSA-N 2 0 301.478 2.679 20 0 DFADRP C[N@H+](CCN1CCC[C@H]([NH+]2CCCC2)C1)Cc1ccccc1 ZINC000450264196 317077900 /nfs/dbraw/zinc/07/79/00/317077900.db2.gz FFJFUCWOBTWZGB-IBGZPJMESA-N 2 0 301.478 2.679 20 0 DFADRP CCCc1ccc2[nH+]ccc(N3CCO[C@@H](C[NH+](C)C)C3)c2c1 ZINC000450322678 317083103 /nfs/dbraw/zinc/08/31/03/317083103.db2.gz ZWUFZPJNYCXMLP-INIZCTEOSA-N 2 0 313.445 2.954 20 0 DFADRP CC[NH+]1CCN([C@@H]2CC[N@H+](CC/C=C/c3ccccc3)C2)CC1 ZINC000450384504 317088474 /nfs/dbraw/zinc/08/84/74/317088474.db2.gz BOFAARXQOBEEPG-CLOLKSBNSA-N 2 0 313.489 2.802 20 0 DFADRP C[C@H](c1ccccc1)[C@@H](O)C[N@@H+]1CC[C@H](Oc2ccncc2)C1 ZINC000450503449 317100737 /nfs/dbraw/zinc/10/07/37/317100737.db2.gz XPILOZQZZISAEN-MNEFBYGVSA-N 2 0 312.413 2.699 20 0 DFADRP COC1([C@H](C)[NH2+]CCC[N@H+](C)Cc2ccccc2)CCOCC1 ZINC000453077882 317159961 /nfs/dbraw/zinc/15/99/61/317159961.db2.gz ISPWMLJATJRLGN-KRWDZBQOSA-N 2 0 320.477 2.682 20 0 DFADRP C[C@@H]1CC[C@@H]([NH2+]CCCN2CC[NH+](C)CC2)c2sccc21 ZINC000453102110 317162653 /nfs/dbraw/zinc/16/26/53/317162653.db2.gz ZCHJWGGXLCXIFT-GDBMZVCRSA-N 2 0 307.507 2.914 20 0 DFADRP CCO[C@@H]1C[C@H]([NH2+][C@@H]2CCCN(CCCO)C2)C12CCCCC2 ZINC000453288128 317175867 /nfs/dbraw/zinc/17/58/67/317175867.db2.gz JWEKVMFMFLUZAH-FGTMMUONSA-N 2 0 324.509 2.551 20 0 DFADRP Cc1ccccc1-n1cc(C[NH2+]CCCC[N@@H+](C)C2CC2)nn1 ZINC000453592451 317192175 /nfs/dbraw/zinc/19/21/75/317192175.db2.gz FFPFBQSFHCNDCO-UHFFFAOYSA-N 2 0 313.449 2.540 20 0 DFADRP C[NH+](C)CCOC1CC[NH+](Cc2cc3ccc(F)cc3[nH]2)CC1 ZINC000488334406 317384565 /nfs/dbraw/zinc/38/45/65/317384565.db2.gz FFJXKCJNARDAOP-UHFFFAOYSA-N 2 0 319.424 2.850 20 0 DFADRP C[C@H]1C[C@@H]1C[N@H+](C)CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000488357985 317386571 /nfs/dbraw/zinc/38/65/71/317386571.db2.gz QTABLNZPZQVYAP-FUHWJXTLSA-N 2 0 307.526 2.771 20 0 DFADRP C[NH+](C)CCN1CCC([NH2+][C@@H]2CS[C@@H](C(C)(C)C)C2)CC1 ZINC000488411491 317390955 /nfs/dbraw/zinc/39/09/55/317390955.db2.gz AIPXHMNPSOIEPT-JKSUJKDBSA-N 2 0 313.555 2.522 20 0 DFADRP C[C@@H]1C[C@@H]1C[NH2+]CCCN1CC[N@H+](C)C[C@H]1c1ccccc1 ZINC000488436967 317393380 /nfs/dbraw/zinc/39/33/80/317393380.db2.gz CNQDKPDLGGPQFA-QRQLOZEOSA-N 2 0 301.478 2.611 20 0 DFADRP CC(C)(C)[C@@H]1C[C@H]([NH2+]CCCC[N@@H+]2CCC[C@@H]2CO)CS1 ZINC000488454338 317394345 /nfs/dbraw/zinc/39/43/45/317394345.db2.gz YGUUZTKJKRGOEX-XHSDSOJGSA-N 2 0 314.539 2.733 20 0 DFADRP C[C@@H]1C[NH+](CCCCNc2cc[nH+]c3ccccc23)C[C@@H](C)O1 ZINC000490137771 317511178 /nfs/dbraw/zinc/51/11/78/317511178.db2.gz BLSOTRRNLMXGQT-HZPDHXFCSA-N 2 0 313.445 2.958 20 0 DFADRP Cc1ccc(C[NH+]2CCC(CO[C@H]3CC[NH2+]C3)CC2)cc1C ZINC000530240795 317777876 /nfs/dbraw/zinc/77/78/76/317777876.db2.gz NXCNTMKGNVBARX-IBGZPJMESA-N 2 0 302.462 2.894 20 0 DFADRP Cc1cccc(C)c1C[NH+]1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000530239600 317777933 /nfs/dbraw/zinc/77/79/33/317777933.db2.gz GTZURJOIEKQLJT-GOSISDBHSA-N 2 0 302.462 2.894 20 0 DFADRP Cc1ccc(C[NH+]2CCC(CO[C@H]3CC[NH2+]C3)CC2)c(C)c1 ZINC000530242806 317778381 /nfs/dbraw/zinc/77/83/81/317778381.db2.gz VFTSWISMJDDAEA-IBGZPJMESA-N 2 0 302.462 2.894 20 0 DFADRP C[C@H](c1ccccc1)[C@@H](O)C[NH2+]CC1CC[NH+](C2CC2)CC1 ZINC000566063559 317936200 /nfs/dbraw/zinc/93/62/00/317936200.db2.gz BEFNOTPCGJZAQH-BEFAXECRSA-N 2 0 302.462 2.615 20 0 DFADRP C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)CC[C@@H]([NH3+])c1ccccc1 ZINC000567802045 317960041 /nfs/dbraw/zinc/96/00/41/317960041.db2.gz REEXJIGTTFKAKH-JFIYKMOQSA-N 2 0 317.477 2.846 20 0 DFADRP Cc1cc(C[NH+](C)C)cc(NC(=O)[C@H]2[NH2+]CCc3ccccc32)c1 ZINC000571763572 317990067 /nfs/dbraw/zinc/99/00/67/317990067.db2.gz JKFVCXHMNWMWGY-IBGZPJMESA-N 2 0 323.440 2.882 20 0 DFADRP CC(C)C[N@@H+]1CC[C@@H](C[NH2+]CCC(=O)Nc2ccccc2)C1 ZINC000572751414 318002394 /nfs/dbraw/zinc/00/23/94/318002394.db2.gz HFUZMACKYZROSV-INIZCTEOSA-N 2 0 303.450 2.583 20 0 DFADRP CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)CC[C@H]([NH3+])c1ccccc1 ZINC000574630792 318029424 /nfs/dbraw/zinc/02/94/24/318029424.db2.gz WXTPNFRQUBLXMN-SQNIBIBYSA-N 2 0 315.461 2.552 20 0 DFADRP c1cn(Cc2ccccc2C[NH2+]C2CC[NH+](CC3CC3)CC2)cn1 ZINC000574846894 318044053 /nfs/dbraw/zinc/04/40/53/318044053.db2.gz VDBACPQDIRSFFE-UHFFFAOYSA-N 2 0 324.472 2.895 20 0 DFADRP Cc1ccc(NC(=O)N2C[C@@H](c3ccccc3)[C@H]([NH3+])C2)c(C)n1 ZINC000574972946 318054078 /nfs/dbraw/zinc/05/40/78/318054078.db2.gz VYIVGKRMWFSLTE-JKSUJKDBSA-N 2 0 310.401 2.657 20 0 DFADRP CCCCNC(=O)c1ccc(C[NH2+][C@@H]2CCC[C@@H]([NH3+])C2)cc1 ZINC000575002460 318056831 /nfs/dbraw/zinc/05/68/31/318056831.db2.gz LIBLQMGWGXNYHO-IAGOWNOFSA-N 2 0 303.450 2.576 20 0 DFADRP CC[NH2+]CCC[NH2+][C@H](C)c1ccc(OCc2nccn2C)cc1 ZINC000575114922 318064025 /nfs/dbraw/zinc/06/40/25/318064025.db2.gz KVVZYBMGUVKPQX-OAHLLOKOSA-N 2 0 316.449 2.649 20 0 DFADRP Cc1cccc(C)c1OC[C@H](O)C[NH2+][C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000575861596 318088077 /nfs/dbraw/zinc/08/80/77/318088077.db2.gz BYAJYVMIEGDXAY-RCCFBDPRSA-N 2 0 320.477 2.506 20 0 DFADRP COCCCOc1cccc(C[NH2+][C@@H](C)[C@H]2CCC[NH2+]C2)c1 ZINC000576268695 318115210 /nfs/dbraw/zinc/11/52/10/318115210.db2.gz YZNJEVHILWCGTG-RDJZCZTQSA-N 2 0 306.450 2.580 20 0 DFADRP [NH3+][C@@H]1CCC[C@H]([NH2+]CCOc2cccc(C(F)(F)F)c2)C1 ZINC000576292759 318117025 /nfs/dbraw/zinc/11/70/25/318117025.db2.gz YPJJHTAHDYSGFW-OLZOCXBDSA-N 2 0 302.340 2.944 20 0 DFADRP [NH3+]C[C@H]1CCC[C@@H]1[NH2+]CCc1nc(-c2ccc(Cl)cc2)no1 ZINC000576338014 318119275 /nfs/dbraw/zinc/11/92/75/318119275.db2.gz APPANHCVPIJCPL-OCCSQVGLSA-N 2 0 320.824 2.650 20 0 DFADRP C[C@H]([NH3+])CCC(=O)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000576460906 318127818 /nfs/dbraw/zinc/12/78/18/318127818.db2.gz IAOQJRZVDSMIGC-XJKSGUPXSA-N 2 0 323.868 2.721 20 0 DFADRP C[C@@H]([NH2+][C@H](CN1CC[NH+](C)CC1)c1ccccc1)C1CCC1 ZINC000576642090 318140029 /nfs/dbraw/zinc/14/00/29/318140029.db2.gz AAFZOWMSUNBVJY-VQIMIIECSA-N 2 0 301.478 2.753 20 0 DFADRP C[NH+](C)CCOc1cccc(C[NH2+]C[C@H](O)C2CCCCC2)c1 ZINC000576749508 318147475 /nfs/dbraw/zinc/14/74/75/318147475.db2.gz QRHKUAPNUZZUED-IBGZPJMESA-N 2 0 320.477 2.658 20 0 DFADRP C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)CCCC[NH+](C)C)C1 ZINC000577239753 318180765 /nfs/dbraw/zinc/18/07/65/318180765.db2.gz ZFHIUADLIMJENQ-ROUUACIJSA-N 2 0 323.525 2.831 20 0 DFADRP Cc1ccccc1OC[C@@H](O)C[NH2+]CC[C@H](C)[NH+]1CCCCC1 ZINC000577276116 318182448 /nfs/dbraw/zinc/18/24/48/318182448.db2.gz RMCDFJAFRKZNFP-ROUUACIJSA-N 2 0 320.477 2.589 20 0 DFADRP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)Nc1ccc2c(c1)C[NH2+]C2 ZINC000577364547 318187883 /nfs/dbraw/zinc/18/78/83/318187883.db2.gz JJMVQMJVUOFRMD-QGZVFWFLSA-N 2 0 316.449 2.676 20 0 DFADRP CC[N@H+]1C[C@@H](C)N(C(=O)C[C@@H](c2ccccc2)[NH+](C)C)[C@@H](C)C1 ZINC000577507078 318198085 /nfs/dbraw/zinc/19/80/85/318198085.db2.gz OYHLUNMIEQRTPS-JZXOWHBKSA-N 2 0 317.477 2.621 20 0 DFADRP C[N@@H+]1CCCC[C@H]1CCC(=O)Nc1ccc2c(c1)C[NH2+]CC2 ZINC000577951722 318227909 /nfs/dbraw/zinc/22/79/09/318227909.db2.gz MUGCWWJTJXIIMB-KRWDZBQOSA-N 2 0 301.434 2.535 20 0 DFADRP CCn1c2ccccc2nc1C[NH2+]C[C@H]1CC[C@H](C[NH3+])CC1 ZINC000577995878 318231017 /nfs/dbraw/zinc/23/10/17/318231017.db2.gz NLMKQCDAWNNWHV-SHTZXODSSA-N 2 0 300.450 2.911 20 0 DFADRP Cc1cccc(CCN2C[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)n1 ZINC000578234269 318247423 /nfs/dbraw/zinc/24/74/23/318247423.db2.gz SJFCIWIEIBAHMP-BGYRXZFFSA-N 2 0 321.468 2.996 20 0 DFADRP CCO[C@@H]1C[C@@H]1[NH2+][C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000578832260 318287546 /nfs/dbraw/zinc/28/75/46/318287546.db2.gz JSXIIOQWNXFGLT-BRIYLRKRSA-N 2 0 300.446 2.664 20 0 DFADRP [NH3+]C[C@H](N[C@@H]1CC[NH2+][C@@H](c2ccccc2)C1)C1CCCCC1 ZINC000578858303 318290313 /nfs/dbraw/zinc/29/03/13/318290313.db2.gz IABLDBMDVVYPKV-QRVBRYPASA-N 2 0 301.478 2.977 20 0 DFADRP C[C@H](C[NH+]1CCC(N2CCOC[C@H]2C)CC1)c1ccccc1 ZINC000578905027 318294359 /nfs/dbraw/zinc/29/43/59/318294359.db2.gz YHGVVBGQWANQPG-IAGOWNOFSA-N 2 0 302.462 2.975 20 0 DFADRP CC[NH+]1CCN(Cc2ccc(N[C@H]3CCC[C@@H]([NH3+])C3)cc2)CC1 ZINC000579005297 318301496 /nfs/dbraw/zinc/30/14/96/318301496.db2.gz UNKBAXQVWGTJHG-MJGOQNOKSA-N 2 0 316.493 2.506 20 0 DFADRP Cc1nn(-c2ccccc2)c(C)c1C[NH2+][C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000579225088 318315367 /nfs/dbraw/zinc/31/53/67/318315367.db2.gz BIBJMIJRIMSJOR-RHSMWYFYSA-N 2 0 312.461 2.967 20 0 DFADRP CN1CC[NH+](CCCC[NH2+]Cc2cccc(C3CC3)c2)CC1 ZINC000579340888 318323557 /nfs/dbraw/zinc/32/35/57/318323557.db2.gz VPHFUYHPQFWJLG-UHFFFAOYSA-N 2 0 301.478 2.681 20 0 DFADRP C[C@H](CC(=O)N[C@@H](C)c1cccc(-n2ccnc2)c1)n1ccnc1 ZINC000579360748 318325734 /nfs/dbraw/zinc/32/57/34/318325734.db2.gz NRLXMDYKADJJKY-CABCVRRESA-N 2 0 323.400 2.897 20 0 DFADRP CCOC(=O)[C@@H]1CC[C@H]([NH2+]C[C@H]2CC[N@@H+](C(C)C)C2)C[C@@H]1C ZINC000579577880 318339826 /nfs/dbraw/zinc/33/98/26/318339826.db2.gz PSIWQQZCUDIDHW-VVLHAWIVSA-N 2 0 310.482 2.674 20 0 DFADRP Cc1cc(C[NH2+]Cc2ccncc2OCC[NH+](C)C)c(C)s1 ZINC000579757892 318352492 /nfs/dbraw/zinc/35/24/92/318352492.db2.gz LSOQHDQRWJMAHL-UHFFFAOYSA-N 2 0 319.474 2.990 20 0 DFADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+][C@H](c1ccccc1)c1ccncn1 ZINC000579825555 318356703 /nfs/dbraw/zinc/35/67/03/318356703.db2.gz NSVOBBXVDGSAAO-CTXUPJPISA-N 2 0 308.429 2.672 20 0 DFADRP C[C@@H]1CN(Cc2ccc(Br)s2)C[C@@]1(C)C[NH3+] ZINC000380542195 323291715 /nfs/dbraw/zinc/29/17/15/323291715.db2.gz HKLOBRLKDQKZBL-BXKDBHETSA-N 2 0 303.269 2.927 20 0 DFADRP Cc1cc([C@H](C)[NH2+]C[C@H](C(C)C)N2CC[NH+](C)CC2)cs1 ZINC000381619458 323294712 /nfs/dbraw/zinc/29/47/12/323294712.db2.gz RFKJSTFGHLZZRU-DOTOQJQBSA-N 2 0 309.523 2.979 20 0 DFADRP C[C@@H]1C[C@@H](C[N@@H+]2CC[C@H](C)N(Cc3ccccc3)CC2)CC[NH2+]1 ZINC000382717852 323301328 /nfs/dbraw/zinc/30/13/28/323301328.db2.gz IIPVDUJTYQHGAC-HBFSDRIKSA-N 2 0 315.505 2.971 20 0 DFADRP C[C@@H]1CN(Cc2ccccc2)CCC[N@@H+]1CC[C@H]1CC[NH2+]C1 ZINC000382719073 323301427 /nfs/dbraw/zinc/30/14/27/323301427.db2.gz JSBZYTIQIUDRJM-QZTJIDSGSA-N 2 0 301.478 2.582 20 0 DFADRP C[C@H]1CCN(CC[NH2+]C(C)(C)C)CC[N@@H+]1Cc1ccccc1 ZINC000382735028 323302218 /nfs/dbraw/zinc/30/22/18/323302218.db2.gz GWRFPXPVGILFCY-KRWDZBQOSA-N 2 0 303.494 2.971 20 0 DFADRP C[C@H]1CN(Cc2ccccc2)CC[N@@H+]1CC[C@@H]1CCC[NH2+]C1 ZINC000382767252 323302606 /nfs/dbraw/zinc/30/26/06/323302606.db2.gz WUAKCCQSVFFONR-ROUUACIJSA-N 2 0 301.478 2.582 20 0 DFADRP C[C@@H]1C[C@H](C[N@H+](C)C[C@@H]2CC[NH+](Cc3ccccc3)C2)CC[NH2+]1 ZINC000382758240 323302736 /nfs/dbraw/zinc/30/27/36/323302736.db2.gz STAYUUDQHRPBJC-RLLQIKCJSA-N 3 0 315.505 2.828 20 0 DFADRP C[C@H]1C[N@H+](C)CC[C@@H]1[NH2+]CCc1ccc(Br)cc1 ZINC000383052266 323303405 /nfs/dbraw/zinc/30/34/05/323303405.db2.gz UNVSYVDAKWYUJG-WFASDCNBSA-N 2 0 311.267 2.921 20 0 DFADRP CN(Cc1cc(Cl)c2c(c1)OCCCO2)C1(C[NH3+])CCC1 ZINC000385213192 323310031 /nfs/dbraw/zinc/31/00/31/323310031.db2.gz PURSTPJGONBRIL-UHFFFAOYSA-N 2 0 310.825 2.815 20 0 DFADRP C[C@H](N[C@@H]1CCC[N@H+](Cc2ccccc2)C1)[C@@H]1CCCC[NH2+]1 ZINC000386573008 323319626 /nfs/dbraw/zinc/31/96/26/323319626.db2.gz MHHPGCXAJBCADQ-UHOSZYNNSA-N 2 0 301.478 2.771 20 0 DFADRP C[N@H+](Cc1ccccc1)C1(CN[C@H]2CCC[C@H]([NH3+])C2)CCC1 ZINC000386854929 323320802 /nfs/dbraw/zinc/32/08/02/323320802.db2.gz IPOHAMXOZJTQAU-ROUUACIJSA-N 2 0 301.478 2.901 20 0 DFADRP [NH3+]CC1(C(=O)Nc2ccc(C[NH+]3CCCC3)cc2)CCCC1 ZINC000388220686 323329283 /nfs/dbraw/zinc/32/92/83/323329283.db2.gz WOKDIAQFBKNGED-UHFFFAOYSA-N 2 0 301.434 2.740 20 0 DFADRP C[N@H+](CC[C@@H]1CC[NH2+]C1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000388747040 323332170 /nfs/dbraw/zinc/33/21/70/323332170.db2.gz DGGIJYKREKUWSB-HKUYNNGSSA-N 2 0 301.478 2.582 20 0 DFADRP C[NH2+]CCC1CC[NH+](Cc2cc3c(cc2OC)C[C@@H](C)O3)CC1 ZINC000391428366 323346135 /nfs/dbraw/zinc/34/61/35/323346135.db2.gz ASBSDTFZRIQITR-CQSZACIVSA-N 2 0 318.461 2.840 20 0 DFADRP Cc1cccc(N2CC[NH+](Cc3ccc4c(c3)C[NH2+]CC4)CC2)c1 ZINC000391993004 323347539 /nfs/dbraw/zinc/34/75/39/323347539.db2.gz FMFNOGMKUAAADA-UHFFFAOYSA-N 2 0 321.468 2.963 20 0 DFADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC[C@@H]1CCC[NH+](C)C1 ZINC000398200965 323357006 /nfs/dbraw/zinc/35/70/06/323357006.db2.gz PMVXEASPAIHDRF-HOJAQTOUSA-N 2 0 315.505 2.828 20 0 DFADRP C[C@@H]1C[C@H]([NH2+]Cc2ccc(OCC[NH+](C)C)cc2)C[C@H](C)O1 ZINC000580281089 323362574 /nfs/dbraw/zinc/36/25/74/323362574.db2.gz IGVSYUANFHVQIW-QLPKVWCKSA-N 2 0 306.450 2.673 20 0 DFADRP CC[NH+]1CCC(C[NH2+]Cc2ccc(N(C)C(C)C)nc2)CC1 ZINC000580757461 323429769 /nfs/dbraw/zinc/42/97/69/323429769.db2.gz QQHDBOSFWOGJRO-UHFFFAOYSA-N 2 0 304.482 2.748 20 0 DFADRP c1ccc([C@@H]2OCC[C@H]2[NH2+]Cc2ccc3c(c2)C[NH2+]CC3)cc1 ZINC000581078205 323473072 /nfs/dbraw/zinc/47/30/72/323473072.db2.gz ZFWRAYNOUQVYBW-UXHICEINSA-N 2 0 308.425 2.952 20 0 DFADRP CN1CC[NH+](CCCC[NH2+]C2CCc3ccccc3CC2)CC1 ZINC000581649320 323553895 /nfs/dbraw/zinc/55/38/95/323553895.db2.gz WNFKAFYPCXJAOI-UHFFFAOYSA-N 2 0 315.505 2.551 20 0 DFADRP [NH3+]CC1CCC([NH2+][C@H](CO)c2ccc(C(F)(F)F)cc2)CC1 ZINC000582354410 323657430 /nfs/dbraw/zinc/65/74/30/323657430.db2.gz FVNKIUJPARWINZ-WDIPEOLASA-N 2 0 316.367 2.846 20 0 DFADRP CN(C)C(=O)C(C)(C)[NH2+]Cc1cccc(C[NH+]2CCCCC2)c1 ZINC000583130187 323800847 /nfs/dbraw/zinc/80/08/47/323800847.db2.gz IHVZXUCYPRDATM-UHFFFAOYSA-N 2 0 317.477 2.629 20 0 DFADRP CCC[C@H](NC(=O)C[NH+]1CCC(CC[NH3+])CC1)c1ccccc1 ZINC000583209158 323814558 /nfs/dbraw/zinc/81/45/58/323814558.db2.gz GENHIXKFPIJHMJ-SFHVURJKSA-N 2 0 317.477 2.705 20 0 DFADRP C[NH+](C)CCc1ccc(NC(=O)[C@@H]2C[NH2+]Cc3ccccc32)cc1 ZINC000583561932 323878384 /nfs/dbraw/zinc/87/83/84/323878384.db2.gz UHRAHNBIYMLBEJ-LJQANCHMSA-N 2 0 323.440 2.616 20 0 DFADRP CC[NH+]1CCC(C[NH2+]CCC(=O)Nc2ccc(Cl)cc2)CC1 ZINC000583688416 323898620 /nfs/dbraw/zinc/89/86/20/323898620.db2.gz IHVNIUMCPMQVTP-UHFFFAOYSA-N 2 0 323.868 2.990 20 0 DFADRP Cc1cccc(C(C)C)c1NC(=O)CN1CC[C@@H]([NH3+])C[C@@H]1C ZINC000584358666 337102269 /nfs/dbraw/zinc/10/22/69/337102269.db2.gz DOJHRSFTJDYLRF-LSDHHAIUSA-N 2 0 303.450 2.869 20 0 DFADRP CC(C)CCN(CCC(C)C)C(=O)CN1CC[C@@H]([NH3+])C[C@@H]1C ZINC000584358687 337102317 /nfs/dbraw/zinc/10/23/17/337102317.db2.gz FEOQPKZBDDNSOO-DLBZAZTESA-N 2 0 311.514 2.719 20 0 DFADRP CC(C)[N@@H+]1CC[C@@H](CNC(=O)CC[C@@H]([NH3+])CC2CCCCC2)C1 ZINC000584408164 337319541 /nfs/dbraw/zinc/31/95/41/337319541.db2.gz YXRLNSZGMXYION-ZWKOTPCHSA-N 2 0 323.525 2.911 20 0 DFADRP CC(C)[N@@H+]1CC[C@H](CNC(=O)CC[C@H]([NH3+])CC2CCCCC2)C1 ZINC000584408161 337319612 /nfs/dbraw/zinc/31/96/12/337319612.db2.gz YXRLNSZGMXYION-MSOLQXFVSA-N 2 0 323.525 2.911 20 0 DFADRP [NH3+]CCCCC(=O)NC[C@@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC000584467367 337347286 /nfs/dbraw/zinc/34/72/86/337347286.db2.gz JAPOFJWIKNXKCO-INIZCTEOSA-N 2 0 323.868 2.722 20 0 DFADRP C[C@@H]([NH3+])C1CC[NH+](CCCc2nc(-c3cccs3)no2)CC1 ZINC000315963363 534289348 /nfs/dbraw/zinc/28/93/48/534289348.db2.gz DHMNGRBXUUXQGO-GFCCVEGCSA-N 2 0 320.462 2.790 20 0 DFADRP CCO[C@@H](CC[NH+](C)C)C[NH2+][C@@H](C)c1cc(F)ccc1F ZINC000165944515 517708821 /nfs/dbraw/zinc/70/88/21/517708821.db2.gz UFGYQDRLLTUIRG-JSGCOSHPSA-N 2 0 300.393 2.972 20 0 DFADRP C(C[NH2+]C1CC[NH+](C2CCCCC2)CC1)COC[C@@H]1CCCO1 ZINC000163462205 518392316 /nfs/dbraw/zinc/39/23/16/518392316.db2.gz QUMRODQCMVTIJL-IBGZPJMESA-N 2 0 324.509 2.959 20 0 DFADRP O[C@@H]1CCCC[C@@H]1[N@@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000310006360 534408524 /nfs/dbraw/zinc/40/85/24/534408524.db2.gz HWTJIVUCXINUBC-ZGXWSNOMSA-N 2 0 314.473 2.744 20 0 DFADRP O[C@H](C[NH2+]C1CCN(c2cc[nH+]cc2)CC1)c1ccc(F)cc1 ZINC000298156902 534427986 /nfs/dbraw/zinc/42/79/86/534427986.db2.gz SBNBGXHCSQYHLX-GOSISDBHSA-N 2 0 315.392 2.513 20 0 DFADRP CC(C)[NH+]1CCN([C@H]2CC[N@H+](C/C=C/c3ccccc3)C2)CC1 ZINC000369399212 519683360 /nfs/dbraw/zinc/68/33/60/519683360.db2.gz SJJZDCVILCPNDS-ZGBFETHSSA-N 2 0 313.489 2.800 20 0 DFADRP c1cc(N2CCC([NH2+]Cc3noc4c3CCCC4)CC2)cc[nH+]1 ZINC000297326569 534470041 /nfs/dbraw/zinc/47/00/41/534470041.db2.gz DBWXRVKFEZFJMC-UHFFFAOYSA-N 2 0 312.417 2.707 20 0 DFADRP C[NH+](C)[C@@H](CNC(=O)C[N@H+](C)CC1CCCC1)c1ccccc1 ZINC000158050788 522011790 /nfs/dbraw/zinc/01/17/90/522011790.db2.gz JXJBGGRNQPQZEU-SFHVURJKSA-N 2 0 317.477 2.528 20 0 DFADRP Cc1cnn(CC[N@H+]2C[C@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)c1 ZINC000310219075 534741822 /nfs/dbraw/zinc/74/18/22/534741822.db2.gz FSPIDZROIXGFFX-WOJBJXKFSA-N 2 0 324.472 2.645 20 0 DFADRP CC[C@H](C)NC(=O)CC[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000156497939 523967372 /nfs/dbraw/zinc/96/73/72/523967372.db2.gz SXSYPLBUXBUPMT-HNNXBMFYSA-N 2 0 309.498 2.678 20 0 DFADRP COCCOc1ccc(C[NH2+][C@@H]2CC[N@H+](C)[C@@H]3CCC[C@H]32)cc1 ZINC000367619521 524045555 /nfs/dbraw/zinc/04/55/55/524045555.db2.gz WTNZSARETGGDEN-IPMKNSEASA-N 2 0 318.461 2.674 20 0 DFADRP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@@H]1CC[C@H](c2ccccc2)C1 ZINC000131316551 524346596 /nfs/dbraw/zinc/34/65/96/524346596.db2.gz IILIHDBVYOFJGK-NZSAHSFTSA-N 2 0 301.478 2.548 20 0 DFADRP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]Cc1cc(N(C)C)nc2ccccc12 ZINC000154467348 524900515 /nfs/dbraw/zinc/90/05/15/524900515.db2.gz IROBPROVBZZVTM-PBHICJAKSA-N 2 0 312.461 2.731 20 0 DFADRP Cc1ccccc1C[N@@H+]1CCCN(CC[NH+]2CCCCC2)CC1 ZINC000365063440 525140837 /nfs/dbraw/zinc/14/08/37/525140837.db2.gz DARPNKVJRILELB-UHFFFAOYSA-N 2 0 315.505 2.989 20 0 DFADRP Cc1ccsc1C[N@@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000354025402 525845996 /nfs/dbraw/zinc/84/59/96/525845996.db2.gz CYQYTDLPOZCZBW-JKSUJKDBSA-N 2 0 307.507 2.514 20 0 DFADRP [NH3+]Cc1cc(C(=O)NC2CC[NH+](CC3CCCCC3)CC2)co1 ZINC000364211860 527245429 /nfs/dbraw/zinc/24/54/29/527245429.db2.gz BFERUWSQSLBFJI-UHFFFAOYSA-N 2 0 319.449 2.513 20 0 DFADRP CCC[N@H+](C)C[C@@H]1CC[NH+](C[C@@H](Cc2ccccc2)OC)C1 ZINC000294928815 527837024 /nfs/dbraw/zinc/83/70/24/527837024.db2.gz IWQPTZHKSWXCIZ-RBUKOAKNSA-N 2 0 304.478 2.908 20 0 DFADRP CCC[NH+](CCC)CCCNC(=O)[C@H]([NH3+])c1ccccc1C ZINC000294961312 528059249 /nfs/dbraw/zinc/05/92/49/528059249.db2.gz FYGUDNSMBKBSRM-QGZVFWFLSA-N 2 0 305.466 2.623 20 0 DFADRP CCN(CCC[NH+](CC)CC)C(=O)C[C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000318471390 528101043 /nfs/dbraw/zinc/10/10/43/528101043.db2.gz FKKBIEAYZZMKSO-IAGOWNOFSA-N 2 0 311.514 2.593 20 0 DFADRP CC[NH+](CC)CCC[C@H](C)NC(=O)[C@H]([NH3+])c1ccccc1C ZINC000296802115 528116956 /nfs/dbraw/zinc/11/69/56/528116956.db2.gz MRAGKKMSNFYTNC-DOTOQJQBSA-N 2 0 305.466 2.622 20 0 DFADRP CC1CC[NH+](Cc2ccc(NC(=O)[C@@H]3CCC[N@@H+]3C)cc2)CC1 ZINC000299524987 528255741 /nfs/dbraw/zinc/25/57/41/528255741.db2.gz LYQKDBFTHKGQNR-SFHVURJKSA-N 2 0 315.461 2.951 20 0 DFADRP CCC[NH2+][C@H](C)C(=O)NC[C@H](c1ccccc1)[NH+](CC)CC ZINC000294903909 528554072 /nfs/dbraw/zinc/55/40/72/528554072.db2.gz ZMLIPWGZKFALNM-NVXWUHKLSA-N 2 0 305.466 2.574 20 0 DFADRP CCC[NH2+][C@H](C)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000294997704 528557752 /nfs/dbraw/zinc/55/77/52/528557752.db2.gz IBLCWWLJNOXMLC-NUJGCVRESA-N 2 0 317.477 2.544 20 0 DFADRP CCCC[C@H]([NH3+])C(=O)N[C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000309749466 528969849 /nfs/dbraw/zinc/96/98/49/528969849.db2.gz YZHMLDBARHFWCA-SZMVWBNQSA-N 2 0 317.477 2.531 20 0 DFADRP CCCC[C@H]([NH3+])C(=O)N[C@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000309749464 528970846 /nfs/dbraw/zinc/97/08/46/528970846.db2.gz YZHMLDBARHFWCA-NJAFHUGGSA-N 2 0 317.477 2.531 20 0 DFADRP CC1(C)CCC[C@]1(O)C[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000297430024 529000951 /nfs/dbraw/zinc/00/09/51/529000951.db2.gz NDOWICTUWIASGM-SFHVURJKSA-N 2 0 303.450 2.581 20 0 DFADRP CCCC[C@H]([NH3+])C(=O)NCc1ccc(C[NH+](CC)CC)cc1 ZINC000236816096 535044452 /nfs/dbraw/zinc/04/44/52/535044452.db2.gz PTDKKBXFXMRWIR-KRWDZBQOSA-N 2 0 305.466 2.662 20 0 DFADRP CC(C)[NH+]1CCC(C(=O)N[C@H](C)C[NH+]2C[C@H](C)C[C@@H](C)C2)CC1 ZINC000174753764 535149921 /nfs/dbraw/zinc/14/99/21/535149921.db2.gz DCEYZRXCPIUUSW-BRWVUGGUSA-N 2 0 323.525 2.589 20 0 DFADRP CC(C)C[C@H]([NH2+][C@H](C)CN1CC[NH+](C)CC1)c1ccccc1 ZINC000361233529 535322711 /nfs/dbraw/zinc/32/27/11/535322711.db2.gz YNXQVCLMRBPYOW-MJGOQNOKSA-N 2 0 303.494 2.999 20 0 DFADRP CC(C)C(=O)N1CCC([NH2+][C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)CC1 ZINC000261698626 535373024 /nfs/dbraw/zinc/37/30/24/535373024.db2.gz JQQWJRDDINMQHZ-KZNAEPCWSA-N 2 0 321.509 2.534 20 0 DFADRP CC[NH2+]CC1CC[NH+](CC(=O)Nc2cccc(CC)c2)CC1 ZINC000262302768 535458181 /nfs/dbraw/zinc/45/81/81/535458181.db2.gz OUUWPHHWOYGEFJ-UHFFFAOYSA-N 2 0 303.450 2.509 20 0 DFADRP CC[NH2+]CC1CC[NH+](Cc2cc(OC)c(OC)cc2OC)CC1 ZINC000261687473 535459492 /nfs/dbraw/zinc/45/94/92/535459492.db2.gz IUPWAENOQYOUBF-UHFFFAOYSA-N 2 0 322.449 2.534 20 0 DFADRP CC[NH2+]Cc1ccccc1NC(=O)C1C[C@H]2CCC[C@@H](C1)C2[NH3+] ZINC000262065035 535483166 /nfs/dbraw/zinc/48/31/66/535483166.db2.gz IXPNHHJBHWWHRY-BDQJQXKSSA-N 2 0 315.461 2.888 20 0 DFADRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H](C)Cc2ccoc2)[C@@H](C)C1 ZINC000361930928 535527312 /nfs/dbraw/zinc/52/73/12/535527312.db2.gz SQKPHDVKOOLSOJ-JZXOWHBKSA-N 2 0 308.466 2.937 20 0 DFADRP CC[NH+](CC)CCO[C@H]1CC[N@H+](Cc2cccc3c2NCC3)C1 ZINC000261760703 535550835 /nfs/dbraw/zinc/55/08/35/535550835.db2.gz CXEZBDGYANLDNC-SFHVURJKSA-N 2 0 317.477 2.587 20 0 DFADRP CC[NH+](CC)Cc1ccccc1CNC(=O)[C@H]1C[C@H](C)CC[NH2+]1 ZINC000261927220 535611236 /nfs/dbraw/zinc/61/12/36/535611236.db2.gz SJHGKIYMYCSAQZ-CRAIPNDOSA-N 2 0 317.477 2.533 20 0 DFADRP CC[NH+](CC)[C@@H](CNC(=O)CC1C[C@H]2CC[C@@H](C1)[NH2+]2)CC(C)C ZINC000164409908 535652894 /nfs/dbraw/zinc/65/28/94/535652894.db2.gz ASUPBGCIEJBTLU-HQSKLWIPSA-N 2 0 323.525 2.780 20 0 DFADRP CC[NH+](CC)[C@H](CNC(=O)[C@@]1(C)CCCC[NH2+]1)c1ccsc1 ZINC000236882657 535675351 /nfs/dbraw/zinc/67/53/51/535675351.db2.gz DCFKCTBMTBIKIS-NVXWUHKLSA-N 2 0 323.506 2.779 20 0 DFADRP C[NH+](C)Cc1ccsc1-c1nc(-c2ccc(C[NH3+])cc2)no1 ZINC000261921115 536051996 /nfs/dbraw/zinc/05/19/96/536051996.db2.gz BPEKPDQBUVTLGH-UHFFFAOYSA-N 2 0 314.414 2.985 20 0 DFADRP CC[C@H](c1ccc(F)cc1)[N@@H+]1CC[C@@H](N2CC[NH+](CC)CC2)C1 ZINC000247371682 536060471 /nfs/dbraw/zinc/06/04/71/536060471.db2.gz NWABBTYLJVLQPY-RTBURBONSA-N 2 0 319.468 2.989 20 0 DFADRP C[NH2+][C@@H](C)Cc1noc(-c2ccc(C[NH+]3CCCCC3)cc2)n1 ZINC000261694726 536346076 /nfs/dbraw/zinc/34/60/76/536346076.db2.gz HSHWKBUEOBADKT-AWEZNQCLSA-N 2 0 314.433 2.873 20 0 DFADRP COc1ccccc1OC[C@H](C)C[NH2+][C@@H]1CC[N@H+](C)C[C@@H]1C ZINC000358266838 537098137 /nfs/dbraw/zinc/09/81/37/537098137.db2.gz NADKFIYIGNFGCH-OWCLPIDISA-N 2 0 306.450 2.640 20 0 DFADRP Cc1ccc2[nH+]ccc(N3CC[NH+](C[C@H]4CCCO4)CC3)c2c1 ZINC000680620162 545519686 /nfs/dbraw/zinc/51/96/86/545519686.db2.gz MXZACCNIWCJKSC-MRXNPFEDSA-N 2 0 311.429 2.844 20 0 DFADRP Cc1ccc2[nH+]ccc(NC3CC[NH+]([C@@H]4CCOC4)CC3)c2c1 ZINC000680623042 545520662 /nfs/dbraw/zinc/52/06/62/545520662.db2.gz GOMGSUAJWWEZFU-MRXNPFEDSA-N 2 0 311.429 2.630 20 0 DFADRP C[N@H+](Cc1ccc(OCC[NH+]2CCCC2)cc1)CC1(O)CCC1 ZINC000680650470 545524840 /nfs/dbraw/zinc/52/48/40/545524840.db2.gz LGZZXKUGYKSKCY-UHFFFAOYSA-N 2 0 318.461 2.508 20 0 DFADRP C[C@@H]1C[N@@H+](CCCNc2cc[nH+]c3c(O)cccc23)C[C@H](C)O1 ZINC000682238153 545822165 /nfs/dbraw/zinc/82/21/65/545822165.db2.gz KVZGKCOBHZBDEM-OKILXGFUSA-N 2 0 315.417 2.852 20 0 DFADRP C[NH+]1CCN(C(C)(C)C[NH2+][C@@H]2CS[C@@H](C(C)(C)C)C2)CC1 ZINC000683111428 545972972 /nfs/dbraw/zinc/97/29/72/545972972.db2.gz XOAUVIZIXMCYCR-LSDHHAIUSA-N 2 0 313.555 2.522 20 0 DFADRP COc1ccc(COCC[N@@H+]2CCC[C@@H]([NH+](C)C)CC2)cc1 ZINC000683227873 545991786 /nfs/dbraw/zinc/99/17/86/545991786.db2.gz AGOPEEQAQCXIKZ-QGZVFWFLSA-N 2 0 306.450 2.628 20 0 DFADRP CC[NH+](CC)Cc1ccc(C(=O)N2CCC[C@@H]([NH+](C)C)CC2)o1 ZINC000683260257 545997873 /nfs/dbraw/zinc/99/78/73/545997873.db2.gz HQQYVHILIGFBHR-OAHLLOKOSA-N 2 0 321.465 2.678 20 0 DFADRP CC(C)[NH+]1CCC(O)(C[NH2+]Cc2ccc3cnccc3c2)CC1 ZINC000683770921 546091856 /nfs/dbraw/zinc/09/18/56/546091856.db2.gz FURYBTJZUFTGDA-UHFFFAOYSA-N 2 0 313.445 2.560 20 0 DFADRP CCO[C@H](CC[NH+](C)C)C[NH2+]Cc1ccc2cnccc2c1 ZINC000683772361 546091870 /nfs/dbraw/zinc/09/18/70/546091870.db2.gz PDCKPFOOUABKHP-GOSISDBHSA-N 2 0 301.434 2.681 20 0 DFADRP Cc1nc(C)c(C[N@@H+]2CC[C@@H](CNc3cccc(C)[nH+]3)C2)o1 ZINC000683897408 546114783 /nfs/dbraw/zinc/11/47/83/546114783.db2.gz BKUNTNCZAYSMER-HNNXBMFYSA-N 2 0 300.406 2.929 20 0 DFADRP COCCC1([NH2+]Cc2ccc(OCC[NH+](C)C)cc2)CCC1 ZINC000684424305 546215703 /nfs/dbraw/zinc/21/57/03/546215703.db2.gz HZQKGEAYDQRDNI-UHFFFAOYSA-N 2 0 306.450 2.676 20 0 DFADRP C[C@H]1C[N@H+](CCCNc2cc[nH+]c3c(O)cccc23)CCCO1 ZINC000684590198 546248784 /nfs/dbraw/zinc/24/87/84/546248784.db2.gz GHAFOTDHVGHXHK-AWEZNQCLSA-N 2 0 315.417 2.853 20 0 DFADRP CO[C@H]1CCCC[C@@H]1[NH2+]Cc1ccc(OCC[NH+](C)C)cc1 ZINC000685043084 546322982 /nfs/dbraw/zinc/32/29/82/546322982.db2.gz JOERRLUHJAUUST-ROUUACIJSA-N 2 0 306.450 2.674 20 0 DFADRP C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C[C@H]2CCOc3ccccc32)C1 ZINC000685471118 546357722 /nfs/dbraw/zinc/35/77/22/546357722.db2.gz NCIFZMROXMLMNM-SOLBZPMBSA-N 2 0 300.446 2.969 20 0 DFADRP CN(CCC[N@H+](C)C/C=C/c1ccc(F)cc1)CC[NH+](C)C ZINC000685475855 546358859 /nfs/dbraw/zinc/35/88/59/546358859.db2.gz QNZVULFDQAXBQO-FNORWQNLSA-N 2 0 307.457 2.654 20 0 DFADRP CN(CCC[N@H+](C)Cc1ccccc1C1CC1)CC[NH+](C)C ZINC000685475861 546358910 /nfs/dbraw/zinc/35/89/10/546358910.db2.gz UFHWDIRWWARWBT-UHFFFAOYSA-N 2 0 303.494 2.879 20 0 DFADRP CCC[N@H+](CC)C[C@H](C)Nc1ccncc1Br ZINC000685931612 546411275 /nfs/dbraw/zinc/41/12/75/546411275.db2.gz WLUSUEHAKJCOHD-NSHDSACASA-N 2 0 300.244 2.798 20 0 DFADRP COc1ccc(OC)c(C[NH2+]CC2CC[NH+](C3CC3)CC2)c1 ZINC000278461661 214168674 /nfs/dbraw/zinc/16/86/74/214168674.db2.gz FDFMWZKKKJLPIZ-UHFFFAOYSA-N 2 0 304.434 2.668 20 0 DFADRP COc1cc2[nH+]ccc(N3CC[NH+](C(C)C)CC3)c2cc1OC ZINC000413039016 295670554 /nfs/dbraw/zinc/67/05/54/295670554.db2.gz HGYARZVAFBAKLD-UHFFFAOYSA-N 2 0 315.417 2.782 20 0 DFADRP CC[NH+]1CCC(CC[NH2+][C@@H](C)c2cc(C(=O)OC)co2)CC1 ZINC000278664854 214310639 /nfs/dbraw/zinc/31/06/39/214310639.db2.gz IWOXPWPCTCXJEH-ZDUSSCGKSA-N 2 0 308.422 2.839 20 0 DFADRP C[C@@H]([NH2+]CC[C@H]1CCC[N@@H+]1C)c1ccc(N2CCOC2=O)cc1 ZINC000181296653 199278216 /nfs/dbraw/zinc/27/82/16/199278216.db2.gz FVJIYMIMZZVPIQ-GDBMZVCRSA-N 2 0 317.433 2.778 20 0 DFADRP C[C@H]1CC[N@H+](CCCc2nc(-c3cccs3)no2)C[C@H]1C[NH3+] ZINC000318004468 231166373 /nfs/dbraw/zinc/16/63/73/231166373.db2.gz GWIWZSAYEDEGOT-QWHCGFSZSA-N 2 0 320.462 2.647 20 0 DFADRP Cc1cc(C)n(CCC[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)n1 ZINC000318487781 231169975 /nfs/dbraw/zinc/16/99/75/231169975.db2.gz ROCAYGCNXKYRRW-KZNAEPCWSA-N 2 0 304.482 2.790 20 0 DFADRP CSc1ccc([C@H](C)[NH2+][C@H](C)CN2CC[NH+](C)CC2)cc1 ZINC000173399761 295679148 /nfs/dbraw/zinc/67/91/48/295679148.db2.gz SLICFNNYXDUHBL-CABCVRRESA-N 2 0 307.507 2.695 20 0 DFADRP Cc1nccn1[C@H]1CCC[N@@H+]([C@H](C)C(=O)N2CCCCCC2)C1 ZINC000591906433 398349117 /nfs/dbraw/zinc/34/91/17/398349117.db2.gz OFYKQWSGQXNCAV-WBVHZDCISA-N 2 0 318.465 2.620 20 0 DFADRP Cc1nccn1[C@@H]1CCC[N@@H+]([C@H](C)C(=O)N(C(C)C)C(C)C)C1 ZINC000591905707 398347915 /nfs/dbraw/zinc/34/79/15/398347915.db2.gz GXUUTXHFZXLTKB-NVXWUHKLSA-N 2 0 320.481 2.862 20 0 DFADRP CCC(CC)NC(=O)[C@H](C)[N@@H+]1CCC[C@H](n2ccnc2C)C1 ZINC000591905644 398347971 /nfs/dbraw/zinc/34/79/71/398347971.db2.gz FENKTGSUIOHQHH-BBRMVZONSA-N 2 0 306.454 2.522 20 0 DFADRP CCC(C)(C)NC(=O)[C@H](C)[N@@H+]1CCC[C@H](n2ccnc2C)C1 ZINC000591905012 398348599 /nfs/dbraw/zinc/34/85/99/398348599.db2.gz AVUNQFIGVGWREX-ZFWWWQNUSA-N 2 0 306.454 2.522 20 0 DFADRP CCC[C@H](C)NC(=O)[C@H](C)[N@@H+]1CCC[C@H](n2ccnc2C)C1 ZINC000591907203 398350191 /nfs/dbraw/zinc/35/01/91/398350191.db2.gz YYGMCJKNPGCXKJ-DZKIICNBSA-N 2 0 306.454 2.522 20 0 DFADRP CS[C@@H]1CN(c2[nH+]ccc3[nH]ccc32)C[C@@H]1[NH+]1CCCC1 ZINC000596195878 398354251 /nfs/dbraw/zinc/35/42/51/398354251.db2.gz PIKZRAVIKLHQGJ-LSDHHAIUSA-N 2 0 302.447 2.579 20 0 DFADRP [NH2+]=C(NC[C@H](c1ccccc1)[NH+]1CCCC1)NC1CCCC1 ZINC000066242361 398364248 /nfs/dbraw/zinc/36/42/48/398364248.db2.gz HPAXDHXLMCZWNS-QGZVFWFLSA-N 2 0 300.450 2.880 20 0 DFADRP CC(C)(C)C[NH2+]CCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000236617992 398362594 /nfs/dbraw/zinc/36/25/94/398362594.db2.gz HCOSREIHRIVUOQ-UHFFFAOYSA-N 2 0 303.494 2.830 20 0 DFADRP CC(C)C[C@H]([NH3+])C(=O)N1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000236652445 398362808 /nfs/dbraw/zinc/36/28/08/398362808.db2.gz GYZOALGXEDMZMG-AEFFLSMTSA-N 2 0 323.525 2.863 20 0 DFADRP C[C@H](CNC(=O)CC[C@H]([NH3+])c1ccccc1)[NH+]1CCC(C)CC1 ZINC000236723348 398363628 /nfs/dbraw/zinc/36/36/28/398363628.db2.gz NKRLYOJUQXHWRD-AEFFLSMTSA-N 2 0 317.477 2.703 20 0 DFADRP C[C@@H]1CCCC[N@@H+]1Cc1ccc(NC(=O)C[NH2+]C2CC2)cc1 ZINC000237351035 398369909 /nfs/dbraw/zinc/36/99/09/398369909.db2.gz VJLRIFKBZBXSSM-CQSZACIVSA-N 2 0 301.434 2.752 20 0 DFADRP C[C@@H]1C[C@H]([NH3+])CCN1C(=O)c1ccc(Nc2cc[nH+]cc2)cc1 ZINC000237418398 398370307 /nfs/dbraw/zinc/37/03/07/398370307.db2.gz MCZINYQZXDNYMU-UKRRQHHQSA-N 2 0 310.401 2.777 20 0 DFADRP CC(C)CC[C@@H](C)[NH2+]Cc1ccc(C(=O)NCC[NH+](C)C)cc1 ZINC000090038700 185279161 /nfs/dbraw/zinc/27/91/61/185279161.db2.gz NPGCWBNQTZNHCT-MRXNPFEDSA-N 2 0 319.493 2.892 20 0 DFADRP CC[C@@H]([NH2+]Cc1ccc(C(=O)NCC[NH+](C)C)cc1)C(C)C ZINC000090038770 185279188 /nfs/dbraw/zinc/27/91/88/185279188.db2.gz ICUFQZYOKPGWOU-QGZVFWFLSA-N 2 0 305.466 2.502 20 0 DFADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]CCc1nc2cc(F)ccc2n1C ZINC000090044109 185279470 /nfs/dbraw/zinc/27/94/70/185279470.db2.gz UQBVXXCGUDTLJH-NFAWXSAZSA-N 2 0 318.440 2.573 20 0 DFADRP COc1cccc(OCCC[NH2+][C@H]2C[C@@H](C)[N@H+](C)C[C@H]2C)c1 ZINC000090060610 185280028 /nfs/dbraw/zinc/28/00/28/185280028.db2.gz APLAOMZAHAFQLF-RKVPGOIHSA-N 2 0 306.450 2.782 20 0 DFADRP CCO[C@@H]1C[C@H]([NH2+]CCCC[N@@H+]2CCC[C@H](C)C2)[C@@H]1SC ZINC000459374783 299090169 /nfs/dbraw/zinc/09/01/69/299090169.db2.gz MFSCVUUAZBHWEM-NXOAAHMSSA-N 2 0 314.539 2.997 20 0 DFADRP c1cn(Cc2cccc(C[NH2+]C3CCN(C4CC4)CC3)c2)cn1 ZINC000459375342 299090705 /nfs/dbraw/zinc/09/07/05/299090705.db2.gz ZBCSWZZDYLJZQT-UHFFFAOYSA-N 2 0 310.445 2.648 20 0 DFADRP C[C@@H]1CCCC[N@@H+]1CCC1CC[NH+](CCc2cncn2C)CC1 ZINC000459377581 299091835 /nfs/dbraw/zinc/09/18/35/299091835.db2.gz YHJQKVWHCVVEDQ-QGZVFWFLSA-N 2 0 318.509 2.939 20 0 DFADRP C[C@@H]1C[N@@H+](CC2CC[NH+](Cc3cccc(O)c3)CC2)C[C@H](C)O1 ZINC000092587442 185327305 /nfs/dbraw/zinc/32/73/05/185327305.db2.gz XJWMCJMBRRPDJL-IYBDPMFKSA-N 2 0 318.461 2.713 20 0 DFADRP CCCC[NH+]1CCC([NH2+][C@@H]2C[C@H](OCC)[C@@H]2SC)CC1 ZINC000459387943 299093635 /nfs/dbraw/zinc/09/36/35/299093635.db2.gz DKXVNNXYNURYDV-OWCLPIDISA-N 2 0 300.512 2.750 20 0 DFADRP Cc1nccn1CCC[NH2+]Cc1cccc(O)c1Br ZINC000459394320 299095241 /nfs/dbraw/zinc/09/52/41/299095241.db2.gz SMJXIYOHECEPCG-UHFFFAOYSA-N 2 0 324.222 2.840 20 0 DFADRP C[N@@H+]1CCC[C@H]2C[NH+](CCC(=O)OCc3ccccc3)CC[C@@H]21 ZINC000181478134 199304003 /nfs/dbraw/zinc/30/40/03/199304003.db2.gz GPWJAMYXZMDWQH-ROUUACIJSA-N 2 0 316.445 2.536 20 0 DFADRP Fc1ccc(-c2nc(CC[NH2+][C@H]3CCC[NH2+]CC3)co2)cc1 ZINC000584714686 398401172 /nfs/dbraw/zinc/40/11/72/398401172.db2.gz AIFGAZREHBLSOD-HNNXBMFYSA-N 2 0 303.381 2.755 20 0 DFADRP OC[C@H]([NH2+]C1CCN(c2cc[nH+]cc2)CC1)c1cccc(F)c1 ZINC000459411038 299099968 /nfs/dbraw/zinc/09/99/68/299099968.db2.gz IOQASFWFIFGESB-SFHVURJKSA-N 2 0 315.392 2.513 20 0 DFADRP CCO[C@@H]1C[C@@H]([NH2+]CCC2CC[NH+](CC)CC2)[C@@H]1SC ZINC000459423502 299103137 /nfs/dbraw/zinc/10/31/37/299103137.db2.gz PHRYXEWIIZBYRQ-OAGGEKHMSA-N 2 0 300.512 2.607 20 0 DFADRP CCCC[N@H+](C)C[C@@H](C)NC(=O)Nc1cccc2c1CC[NH2+]C2 ZINC000584827205 398417418 /nfs/dbraw/zinc/41/74/18/398417418.db2.gz OPMSNLKCBNTFGL-CQSZACIVSA-N 2 0 318.465 2.574 20 0 DFADRP CCOC1CC[NH+](C/C=C\C[NH+]2CCC(OCC)CC2)CC1 ZINC000255338143 398424640 /nfs/dbraw/zinc/42/46/40/398424640.db2.gz SPFTYQKWNXUMHZ-WAYWQWQTSA-N 2 0 310.482 2.544 20 0 DFADRP CC[NH+](CC)[C@@H](C(=O)NCC(C)(C)[NH+](C)C)c1ccccc1 ZINC000067245576 398424841 /nfs/dbraw/zinc/42/48/41/398424841.db2.gz JNUSRXFGRIJQCL-MRXNPFEDSA-N 2 0 305.466 2.526 20 0 DFADRP CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000262647579 398433582 /nfs/dbraw/zinc/43/35/82/398433582.db2.gz ABTUZYPDTQAROK-HQSKLWIPSA-N 2 0 321.509 2.678 20 0 DFADRP COC(=O)[C@@H](C)[C@H]([NH2+]CCCC1CC[NH2+]CC1)c1ccccc1 ZINC000592495622 398433863 /nfs/dbraw/zinc/43/38/63/398433863.db2.gz NGGUNLZGWGSDSD-YJBOKZPZSA-N 2 0 318.461 2.906 20 0 DFADRP CCCC[N@H+](C)CC1CC[NH+](Cc2ccc(C(=O)OC)[nH]2)CC1 ZINC000272763070 210168413 /nfs/dbraw/zinc/16/84/13/210168413.db2.gz QWBNWWMGOSBMAB-UHFFFAOYSA-N 2 0 321.465 2.745 20 0 DFADRP CC1(C)[C@H]([NH2+]C2CCN(c3cc[nH+]cc3)CC2)[C@@H]2CCCO[C@@H]21 ZINC000459435278 299106519 /nfs/dbraw/zinc/10/65/19/299106519.db2.gz XJTJGMFJPKJQMI-KSZLIROESA-N 2 0 315.461 2.844 20 0 DFADRP CCO[C@@H]1C[C@@H]([NH2+]CCC[NH+](C(C)C)C(C)C)[C@H]1SC ZINC000459451855 299109462 /nfs/dbraw/zinc/10/94/62/299109462.db2.gz ZMBZHMXVURZVTM-BZUAXINKSA-N 2 0 302.528 2.994 20 0 DFADRP CCO[C@@H]1C[C@H]([NH2+]C[C@H]2CCC[N@H+](CC(C)C)C2)[C@H]1SC ZINC000459453758 299110381 /nfs/dbraw/zinc/11/03/81/299110381.db2.gz SZUNEJAOPDICQT-YYIAUSFCSA-N 2 0 314.539 2.853 20 0 DFADRP CCO[C@@H]1C[C@@H]([NH2+]C[C@@H](C)N(C)C)[C@H]1Sc1ccccc1 ZINC000459459632 299111869 /nfs/dbraw/zinc/11/18/69/299111869.db2.gz GTFWMZZAPFRRQX-MWQQHZPXSA-N 2 0 308.491 2.864 20 0 DFADRP C[C@H](NC1CC[NH+](C2CC2)CC1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000459466169 299114016 /nfs/dbraw/zinc/11/40/16/299114016.db2.gz OSCLWSOCZSIQLX-HOTGVXAUSA-N 2 0 305.510 2.856 20 0 DFADRP CCOC(=O)C1([C@H](C)[NH2+]Cc2cc(C)cc(C)c2)CC[NH2+]CC1 ZINC000596648339 398471353 /nfs/dbraw/zinc/47/13/53/398471353.db2.gz PZZYUQJXVRCIJG-INIZCTEOSA-N 2 0 318.461 2.714 20 0 DFADRP CN(CCC[N@H+](C)CCn1cc(Cl)cn1)Cc1ccco1 ZINC000459484950 299118281 /nfs/dbraw/zinc/11/82/81/299118281.db2.gz OMEOTYFHDUKPID-UHFFFAOYSA-N 2 0 310.829 2.583 20 0 DFADRP CCCC[N@H+](C)CC1CC[NH+](CCC(=O)NC2CCCC2)CC1 ZINC000052442094 282399978 /nfs/dbraw/zinc/39/99/78/282399978.db2.gz FOFTVZNFBNPURX-UHFFFAOYSA-N 2 0 323.525 2.879 20 0 DFADRP COc1ccc(OC)c(CCC[NH2+][C@H]2CC[N@H+](C)[C@@H](C)C2)c1 ZINC000181779856 199350699 /nfs/dbraw/zinc/35/06/99/199350699.db2.gz YPKDLCZDSMPCRP-HOCLYGCPSA-N 2 0 306.450 2.709 20 0 DFADRP C[C@H]1C[NH+](CCCC[NH2+]Cc2cnn(C(C)(C)C)c2)C[C@H](C)O1 ZINC000062252803 282449668 /nfs/dbraw/zinc/44/96/68/282449668.db2.gz HOAQWUAORLWLQL-HOTGVXAUSA-N 2 0 322.497 2.617 20 0 DFADRP C[C@@H]([NH2+]C1CCN(c2cc[nH+]cc2)CC1)c1ccncc1F ZINC000459533020 299127461 /nfs/dbraw/zinc/12/74/61/299127461.db2.gz DWWWRXUZDRJGII-CYBMUJFWSA-N 2 0 300.381 2.935 20 0 DFADRP Cn1nccc1[C@H]1[C@H](C[NH2+]C2CC3(CCC3)C2)CCCN1C ZINC000459538653 299128575 /nfs/dbraw/zinc/12/85/75/299128575.db2.gz DPPIDDQAKRJURZ-WMLDXEAASA-N 2 0 302.466 2.725 20 0 DFADRP C[N@H+](Cc1ccccc1)CC(C)(C)NCC[C@H]1CCC[NH+]1C ZINC000091075126 398508447 /nfs/dbraw/zinc/50/84/47/398508447.db2.gz QAUPHQBRZDZRGY-GOSISDBHSA-N 2 0 303.494 2.971 20 0 DFADRP Cn1ccnc1[C@H]([NH2+]C1CCN(c2cc[nH+]cc2)CC1)C1CC1 ZINC000459547726 299130390 /nfs/dbraw/zinc/13/03/90/299130390.db2.gz WNXHXCUDWNMOKX-QGZVFWFLSA-N 2 0 311.433 2.525 20 0 DFADRP C[NH+]1CCC([C@H]2CC[N@H+](Cc3cnc(C4CC4)nc3)C2)CC1 ZINC000459549653 299131785 /nfs/dbraw/zinc/13/17/85/299131785.db2.gz FWUWZXKUFOJORU-KRWDZBQOSA-N 2 0 300.450 2.518 20 0 DFADRP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@H](c2cccnc2)C(C)C)CC1 ZINC000091320876 398526248 /nfs/dbraw/zinc/52/62/48/398526248.db2.gz LMMJZQZNSFRAML-MJGOQNOKSA-N 2 0 318.509 2.642 20 0 DFADRP CC[NH+](CC)Cc1cccc(NC(=O)C[C@@H]2CCC[NH2+]C2)c1 ZINC000315823572 398528201 /nfs/dbraw/zinc/52/82/01/398528201.db2.gz GXMMQCYQWGFZNU-HNNXBMFYSA-N 2 0 303.450 2.857 20 0 DFADRP O[C@@H]1CCC[C@H]1[NH2+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000459585280 299141331 /nfs/dbraw/zinc/14/13/31/299141331.db2.gz JVWBDDBYYAZUDJ-USYVTKNRSA-N 2 0 314.473 2.790 20 0 DFADRP C[C@@H]([NH2+]Cc1ccc(C[NH+]2CCC(O)CC2)cc1)[C@H]1C[C@H]1C ZINC000414114522 295768799 /nfs/dbraw/zinc/76/87/99/295768799.db2.gz LXCNNRRBKQUQGC-CLCXKQKWSA-N 2 0 302.462 2.777 20 0 DFADRP C[C@@H]1OCC[C@@H]1[NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]12 ZINC000272620917 210021724 /nfs/dbraw/zinc/02/17/24/210021724.db2.gz YGCPONLMJIQDKU-YCVVXREPSA-N 2 0 300.446 2.664 20 0 DFADRP COC[C@@H]([NH2+]CC1(C)CC[NH+](C)CC1)c1ccc(F)c(F)c1 ZINC000272616149 210017302 /nfs/dbraw/zinc/01/73/02/210017302.db2.gz XEOAFFPYEGZLEF-MRXNPFEDSA-N 2 0 312.404 2.974 20 0 DFADRP Cc1cc(C)c([C@H](C)[N@@H+]2CC[C@H](N3CC[NH2+]CC3)C2)c(C)c1 ZINC000319780811 398543927 /nfs/dbraw/zinc/54/39/27/398543927.db2.gz ZHDPRTKKSFVXTD-ROUUACIJSA-N 2 0 301.478 2.652 20 0 DFADRP CSC1(C[NH2+]C[C@H]2CCOc3ccccc32)CC[NH+](C)CC1 ZINC000589325668 398545490 /nfs/dbraw/zinc/54/54/90/398545490.db2.gz LCLULRLVRWKFTH-OAHLLOKOSA-N 2 0 320.502 2.970 20 0 DFADRP CC[NH+]1CCC(C[NH2+][C@H](C)c2cnc3cc(C)nn3c2C)CC1 ZINC000321108096 398551464 /nfs/dbraw/zinc/55/14/64/398551464.db2.gz JEVHHRJIZUDCQD-CQSZACIVSA-N 2 0 315.465 2.729 20 0 DFADRP CCC[NH+]1CCN(c2ccccc2CNc2[nH+]ccn2C)CC1 ZINC000414293496 295784939 /nfs/dbraw/zinc/78/49/39/295784939.db2.gz CTXZWCJQSIZDKF-UHFFFAOYSA-N 2 0 313.449 2.564 20 0 DFADRP C[NH+](C)C[C@@H]1CC[N@H+](C[C@@H](O)Cc2ccc3ccccc3c2)C1 ZINC000279818754 215172702 /nfs/dbraw/zinc/17/27/02/215172702.db2.gz YAXQGVRYVLYOOP-PXNSSMCTSA-N 2 0 312.457 2.627 20 0 DFADRP COc1cc(C)c(C[NH2+]Cc2ccc3c[nH+]cn3c2)cc1OC ZINC000459660798 299157742 /nfs/dbraw/zinc/15/77/42/299157742.db2.gz PKAGIJKMPHDXST-UHFFFAOYSA-N 2 0 311.385 2.950 20 0 DFADRP CCOC(=O)[C@@H]1CC[C@@H]([NH2+]Cc2ccccc2C[NH2+]C)C[C@@H]1C ZINC000593318402 398597474 /nfs/dbraw/zinc/59/74/74/398597474.db2.gz OVBZICYZVGWVCD-BMGDILEWSA-N 2 0 318.461 2.864 20 0 DFADRP COc1cc([C@@H](C)[NH2+]CC2CC[NH+](C3CC3)CC2)c(F)cn1 ZINC000287172986 219359234 /nfs/dbraw/zinc/35/92/34/219359234.db2.gz USGLFWGDPVKTGW-GFCCVEGCSA-N 2 0 307.413 2.754 20 0 DFADRP COC(=O)[C@@H]1CCC[C@@H]1[NH2+]C1CC[NH+]([C@H]2CCCC[C@H]2C)CC1 ZINC000590657618 398646613 /nfs/dbraw/zinc/64/66/13/398646613.db2.gz MAOGEZGJDMFPOK-BGTYHANMSA-N 2 0 322.493 2.961 20 0 DFADRP CC[NH+](CC)Cc1ccccc1CNC(=O)c1coc(C[NH3+])c1 ZINC000188040445 186248118 /nfs/dbraw/zinc/24/81/18/186248118.db2.gz BKTTWCVFHYBFHJ-UHFFFAOYSA-N 2 0 315.417 2.510 20 0 DFADRP C[C@H](C[NH2+]C1CCN(C2CC[NH+](C)CC2)CC1)c1ccccc1 ZINC000194303686 186279346 /nfs/dbraw/zinc/27/93/46/186279346.db2.gz SDIHAYQKBQPZOB-QGZVFWFLSA-N 2 0 315.505 2.938 20 0 DFADRP C[C@H](CC(=O)Nc1cccc(C[NH+](C)C)c1)[C@@H]1CCC[NH2+]C1 ZINC000237480194 186295587 /nfs/dbraw/zinc/29/55/87/186295587.db2.gz KJHZORYBZDLDPV-GDBMZVCRSA-N 2 0 303.450 2.713 20 0 DFADRP COc1cc(OC)c(C[NH2+]CC[C@H]2CCC[N@H+](C)C2)c(OC)c1 ZINC000459726068 299174132 /nfs/dbraw/zinc/17/41/32/299174132.db2.gz GDMNSBQDQCYKPE-CQSZACIVSA-N 2 0 322.449 2.534 20 0 DFADRP CCOc1cc(C[NH2+]CC[C@@H]2CCC[N@H+](C)C2)ccc1OC ZINC000459731217 299174642 /nfs/dbraw/zinc/17/46/42/299174642.db2.gz KYDRXYAAOXZZKZ-HNNXBMFYSA-N 2 0 306.450 2.915 20 0 DFADRP COc1cc2c(c(C[NH2+]CC[C@H]3CCC[N@H+](C)C3)c1)O[C@H](C)C2 ZINC000459731305 299175078 /nfs/dbraw/zinc/17/50/78/299175078.db2.gz LKFMWKKSRHVBLO-HUUCEWRRSA-N 2 0 318.461 2.840 20 0 DFADRP C[NH+](C)[C@@H](CNC(=O)c1ccc(Nc2cc[nH+]cc2)cc1)C1CC1 ZINC000072996462 398654736 /nfs/dbraw/zinc/65/47/36/398654736.db2.gz SQEZHNBMVCMOCT-SFHVURJKSA-N 2 0 324.428 2.895 20 0 DFADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]Cc1cc(Cl)c2c(c1)OCCO2 ZINC000414804355 295820940 /nfs/dbraw/zinc/82/09/40/295820940.db2.gz OQZDHBOVQQFAIQ-JSGCOSHPSA-N 2 0 310.825 2.718 20 0 DFADRP C[N@@H+]1CCC[C@@H](CC[NH2+]C2CCN(Cc3ccccc3)CC2)C1 ZINC000459738493 299177549 /nfs/dbraw/zinc/17/75/49/299177549.db2.gz RVSVAHFRPKFNCA-IBGZPJMESA-N 2 0 315.505 2.973 20 0 DFADRP c1ccc(COc2cccc(C[NH2+]C[C@@H]3CCC[NH2+]C3)c2)nc1 ZINC000414831851 295823527 /nfs/dbraw/zinc/82/35/27/295823527.db2.gz QBGLNQQEHSMKGQ-QGZVFWFLSA-N 2 0 311.429 2.750 20 0 DFADRP Fc1cc(C[NH2+]C[C@@H]2CCC[NH2+]C2)ccc1OCC(F)(F)F ZINC000414836242 295824356 /nfs/dbraw/zinc/82/43/56/295824356.db2.gz URAQGQXAROQEED-GFCCVEGCSA-N 2 0 320.330 2.856 20 0 DFADRP COc1ccc(C[NH2+]CC[C@H]2CCC[NH2+]C2)cc1OC(F)F ZINC000414844206 295825109 /nfs/dbraw/zinc/82/51/09/295825109.db2.gz DKKQEACAPCPIPY-GFCCVEGCSA-N 2 0 314.376 2.776 20 0 DFADRP Fc1ccc(C[NH2+]CC[C@@H]2CC[NH2+]C2)cc1Br ZINC000414840952 295825022 /nfs/dbraw/zinc/82/50/22/295825022.db2.gz XMIIHBJMAMIXQO-JTQLQIEISA-N 2 0 301.203 2.677 20 0 DFADRP COc1ccc(C[NH2+][C@@H](C)[C@H]2CCC[NH2+]C2)cc1OC(F)F ZINC000414846899 295825655 /nfs/dbraw/zinc/82/56/55/295825655.db2.gz FJIXVXPUHSARFT-AAEUAGOBSA-N 2 0 314.376 2.774 20 0 DFADRP C[C@@H](CCc1n[nH]c2ccccc21)[NH2+]CC[C@H]1CCC[NH2+]C1 ZINC000414848738 295825783 /nfs/dbraw/zinc/82/57/83/295825783.db2.gz XDSOVDBAJUOZAV-LSDHHAIUSA-N 2 0 300.450 2.863 20 0 DFADRP Cc1ccc(NC(=O)C[C@@H](C)[NH2+]CC[C@H]2CCC[NH2+]C2)c(C)c1 ZINC000414845311 295825435 /nfs/dbraw/zinc/82/54/35/295825435.db2.gz SEJTYMATILBHLE-IAGOWNOFSA-N 2 0 317.477 3.000 20 0 DFADRP C[NH2+]C[C@@H](C)C[NH2+]Cc1ccc(OCC(F)(F)F)c(OC)c1 ZINC000414845300 295825496 /nfs/dbraw/zinc/82/54/96/295825496.db2.gz SCVNGUSUPXQIAY-LLVKDONJSA-N 2 0 320.355 2.581 20 0 DFADRP C[NH2+]CCC[NH2+]Cc1ccc(OC)c(OCc2ccccc2)c1 ZINC000414858779 295826993 /nfs/dbraw/zinc/82/69/93/295826993.db2.gz LIOORPKONIMIQH-UHFFFAOYSA-N 2 0 314.429 2.973 20 0 DFADRP COCCCOc1cccc(C[NH2+]CC[C@@H]2CCC[N@H+](C)C2)c1 ZINC000459746235 299180302 /nfs/dbraw/zinc/18/03/02/299180302.db2.gz ZDOHCBOPSKHGAV-KRWDZBQOSA-N 2 0 320.477 2.923 20 0 DFADRP CCCOc1c(Cl)cc(C[NH2+][C@@H](C)CC[NH3+])cc1OC ZINC000414874301 295828854 /nfs/dbraw/zinc/82/88/54/295828854.db2.gz ASNBWTLJOGFJTQ-NSHDSACASA-N 2 0 300.830 2.964 20 0 DFADRP CC(C)n1ncc2cc(C[NH2+]CC[C@H]3CCC[N@H+](C)C3)cnc21 ZINC000459746967 299180609 /nfs/dbraw/zinc/18/06/09/299180609.db2.gz ZITOCQJLPMLMFP-OAHLLOKOSA-N 2 0 315.465 2.834 20 0 DFADRP C[C@H](CC[NH3+])[NH2+]Cc1cn(-c2ccccc2)nc1C(C)(C)C ZINC000414892417 295831093 /nfs/dbraw/zinc/83/10/93/295831093.db2.gz JCSGPZDHEMSWCM-CQSZACIVSA-N 2 0 300.450 2.997 20 0 DFADRP CCCn1c(C[NH2+]CC2(C)CC[NH2+]CC2)nc2ccccc21 ZINC000414900280 295832172 /nfs/dbraw/zinc/83/21/72/295832172.db2.gz IIABGSSBKOKBNJ-UHFFFAOYSA-N 2 0 300.450 2.926 20 0 DFADRP C[C@H](Cc1ccc(Br)c(F)c1)[NH2+]CCCC[NH3+] ZINC000414896841 295831787 /nfs/dbraw/zinc/83/17/87/295831787.db2.gz AHXGTAYAPTVTFH-SNVBAGLBSA-N 2 0 303.219 2.848 20 0 DFADRP Cc1nn(Cc2ccccc2)c(C)c1C[NH2+][C@@H]1CCC[C@H]([NH3+])C1 ZINC000414908265 295833385 /nfs/dbraw/zinc/83/33/85/295833385.db2.gz BEFCHZHXKAXZPS-ZWKOTPCHSA-N 2 0 312.461 2.908 20 0 DFADRP C[C@@H]1C[C@@H]([NH2+]Cc2cccc(OCC(F)(F)F)c2)CC[NH2+]1 ZINC000414958470 295840944 /nfs/dbraw/zinc/84/09/44/295840944.db2.gz WTBDARMCWMFFDP-YPMHNXCESA-N 2 0 302.340 2.858 20 0 DFADRP COc1ccc(CC[C@@H](C)[NH2+]CCC[C@H]2CCC[NH2+]2)cc1O ZINC000414971536 295842740 /nfs/dbraw/zinc/84/27/40/295842740.db2.gz WIDHILVVOJTYJO-ZBFHGGJFSA-N 2 0 306.450 2.844 20 0 DFADRP CC[C@H]1CCCCN1C(=O)C[NH+]1CCC(C[N@H+](C)C(C)C)CC1 ZINC000590786606 398674270 /nfs/dbraw/zinc/67/42/70/398674270.db2.gz HOJDWTGINVCPIF-SFHVURJKSA-N 2 0 323.525 2.830 20 0 DFADRP CC(C)CN(C(=O)C[NH+]1CCC(C[N@H+](C)C(C)C)CC1)C1CC1 ZINC000590786506 398674288 /nfs/dbraw/zinc/67/42/88/398674288.db2.gz ZNXINPKYFJUJNO-UHFFFAOYSA-N 2 0 323.525 2.686 20 0 DFADRP C[C@@H]1C[NH2+]CC[C@@H]1[NH2+]Cc1ccc(OCC(F)(F)F)cc1 ZINC000414968895 295842525 /nfs/dbraw/zinc/84/25/25/295842525.db2.gz YQUURURVDXWPJA-RISCZKNCSA-N 2 0 302.340 2.715 20 0 DFADRP CC(C)([NH3+])CNC(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC000414975813 295843256 /nfs/dbraw/zinc/84/32/56/295843256.db2.gz MQFVSURFIODDLE-UHFFFAOYSA-N 2 0 318.465 2.574 20 0 DFADRP C[C@H](C[NH3+])N(C)C(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC000414980712 295843644 /nfs/dbraw/zinc/84/36/44/295843644.db2.gz WNBWXLAKYHAJRK-OAHLLOKOSA-N 2 0 318.465 2.526 20 0 DFADRP Cn1nccc1-c1ccccc1C[NH2+]CC[C@@H]1CCC[N@H+](C)C1 ZINC000459780965 299190117 /nfs/dbraw/zinc/19/01/17/299190117.db2.gz MDGVUTBHNAQBHP-INIZCTEOSA-N 2 0 312.461 2.909 20 0 DFADRP [NH3+][C@H]1CCC[C@@H](C[NH2+]Cc2csc(-c3ccccn3)n2)C1 ZINC000414999353 295845539 /nfs/dbraw/zinc/84/55/39/295845539.db2.gz RSPJJSBCQZMZNZ-OLZOCXBDSA-N 2 0 302.447 2.812 20 0 DFADRP COc1ccc(C[NH2+]C[C@H]2CCC[C@@H]([NH3+])C2)c(Cl)c1OC ZINC000414999797 295845871 /nfs/dbraw/zinc/84/58/71/295845871.db2.gz SMQFCXBZPDIOFN-WCQYABFASA-N 2 0 312.841 2.964 20 0 DFADRP CCOC(=O)[C@@H]1CC[C@H]([NH2+]CC[C@H]2CCC[N@H+](C)C2)C[C@H]1C ZINC000459781800 299191322 /nfs/dbraw/zinc/19/13/22/299191322.db2.gz MMGHIHDVZUCIDI-WCXIOVBPSA-N 2 0 310.482 2.676 20 0 DFADRP COC(=O)c1cc(C[N@@H+]2CCC[C@H](C)[C@@H]2CC[NH3+])c(C)s1 ZINC000593734050 398679072 /nfs/dbraw/zinc/67/90/72/398679072.db2.gz SCLMNGSFAJVBQP-FZMZJTMJSA-N 2 0 310.463 2.792 20 0 DFADRP CC[NH+](CC)Cc1ccc(C(=O)N2CCC[C@@H]([NH2+]C(C)C)C2)o1 ZINC000590810814 398679276 /nfs/dbraw/zinc/67/92/76/398679276.db2.gz PORDUDQEKSFHSL-OAHLLOKOSA-N 2 0 321.465 2.724 20 0 DFADRP CC[N@H+](C)[C@@H](C(=O)N1CCC[C@H]([NH+](C)C)CC1)c1ccccc1 ZINC000277157662 213333950 /nfs/dbraw/zinc/33/39/50/213333950.db2.gz IZDBBMHKQHMCGI-ZWKOTPCHSA-N 2 0 317.477 2.622 20 0 DFADRP C[C@@H](CC(=O)N(C)c1ccccc1)[NH2+]CC[C@H]1CCC[N@H+](C)C1 ZINC000459789184 299193215 /nfs/dbraw/zinc/19/32/15/299193215.db2.gz QHESURUDEJSWOA-DLBZAZTESA-N 2 0 317.477 2.750 20 0 DFADRP CC[C@H](Cc1ccc(OC)c(OC)c1)[NH2+][C@@H]1CC[C@H](C[NH3+])C1 ZINC000415031190 295849109 /nfs/dbraw/zinc/84/91/09/295849109.db2.gz GRJODLCRXROKAJ-ARFHVFGLSA-N 2 0 306.450 2.742 20 0 DFADRP COc1ccc(C[NH2+][C@H]2CC[C@H](C[NH3+])C2)cc1OC(F)F ZINC000415034215 295849290 /nfs/dbraw/zinc/84/92/90/295849290.db2.gz JQMQZOYOUZQKES-JQWIXIFHSA-N 2 0 300.349 2.514 20 0 DFADRP CSc1ccc([C@H](C)[NH2+]C[C@H](C)N2CC[NH+](C)CC2)cc1 ZINC000173390407 198208860 /nfs/dbraw/zinc/20/88/60/198208860.db2.gz AKOSTTWEAIIEND-GJZGRUSLSA-N 2 0 307.507 2.695 20 0 DFADRP COc1cc(C[NH2+][C@@H](C)CCCC[NH3+])ccc1OC(F)F ZINC000415063142 295853588 /nfs/dbraw/zinc/85/35/88/295853588.db2.gz OBAKJZNXCUHYNA-NSHDSACASA-N 2 0 302.365 2.904 20 0 DFADRP C[N@@H+]1CCC[C@H](CC[NH2+]Cc2cc(-n3ccnc3)cs2)C1 ZINC000459797458 299196308 /nfs/dbraw/zinc/19/63/08/299196308.db2.gz WRCOGRASSUQHHU-CQSZACIVSA-N 2 0 304.463 2.755 20 0 DFADRP c1nn(-c2ccccc2)cc1CC[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000415078757 295855288 /nfs/dbraw/zinc/85/52/88/295855288.db2.gz GYEZOCOROHDESQ-AQNXPRMDSA-N 2 0 324.472 2.925 20 0 DFADRP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)CO1 ZINC000401870360 398689135 /nfs/dbraw/zinc/68/91/35/398689135.db2.gz BLLUCVAOPBBQTC-QFACEVIFSA-N 2 0 300.446 2.664 20 0 DFADRP C[C@@H]1C[C@H](C[NH2+]C2CCN(Cc3ccccc3)CC2)CC[NH2+]1 ZINC000415084108 295855778 /nfs/dbraw/zinc/85/57/78/295855778.db2.gz QZTDJWSNIQAPCZ-SJLPKXTDSA-N 2 0 301.478 2.629 20 0 DFADRP COCCOc1ccccc1C[NH2+][C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000415088112 295856406 /nfs/dbraw/zinc/85/64/06/295856406.db2.gz XAFKFRMBUXUZDX-RCCFBDPRSA-N 2 0 318.461 2.722 20 0 DFADRP CCCCC1CCC([NH2+]C[C@@H]2CCCN(C(=O)C[NH3+])C2)CC1 ZINC000415088235 295856628 /nfs/dbraw/zinc/85/66/28/295856628.db2.gz VVQHCNXMAFPSDW-CGZBRXJRSA-N 2 0 309.498 2.522 20 0 DFADRP C[C@@H](c1ccncc1)[NH+]1CCC(NCC[NH2+]C(C)(C)C)CC1 ZINC000415083161 295855970 /nfs/dbraw/zinc/85/59/70/295855970.db2.gz MZPVHBSVFLGKPO-HNNXBMFYSA-N 2 0 304.482 2.585 20 0 DFADRP c1cn(Cc2ccc(C[NH2+][C@@H]3CCC[C@H]3[C@@H]3CCC[NH2+]3)cc2)cn1 ZINC000415091666 295856799 /nfs/dbraw/zinc/85/67/99/295856799.db2.gz ZOOTZJMTIIDIDC-SLFFLAALSA-N 2 0 324.472 2.942 20 0 DFADRP Cc1ccc(CCC[NH+]2CCC([C@@H]3OCCC[C@@H]3[NH3+])CC2)cn1 ZINC000415106847 295858949 /nfs/dbraw/zinc/85/89/49/295858949.db2.gz JZBPJSIOBIBCLB-OALUTQOASA-N 2 0 317.477 2.541 20 0 DFADRP CC[NH+]1CCC(CCNC(=O)c2ccc(C[NH+](C)C)cc2)CC1 ZINC000174120837 198293782 /nfs/dbraw/zinc/29/37/82/198293782.db2.gz RQXBPJTUCLSTRA-UHFFFAOYSA-N 2 0 317.477 2.600 20 0 DFADRP CC[NH+](CC)C[C@H]1CC[N@H+](CCC(=O)Nc2ccc(F)cc2)C1 ZINC000174218894 198307143 /nfs/dbraw/zinc/30/71/43/198307143.db2.gz KIQGCXLYLRRNAZ-OAHLLOKOSA-N 2 0 321.440 2.818 20 0 DFADRP Cc1cc(F)ccc1C[NH+]1CCC([C@H]2C[C@@H]([NH3+])CCO2)CC1 ZINC000415117870 295860262 /nfs/dbraw/zinc/86/02/62/295860262.db2.gz CMBVRGAAEONMJG-ZWKOTPCHSA-N 2 0 306.425 2.852 20 0 DFADRP C[C@@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]CCc1cn2ccccc2n1 ZINC000415122160 295861079 /nfs/dbraw/zinc/86/10/79/295861079.db2.gz ZYZQNOADOYENOQ-HOTGVXAUSA-N 2 0 300.450 2.777 20 0 DFADRP Cc1ccc(F)cc1C[NH+]1CCC([C@@H]2C[C@H]([NH3+])CCO2)CC1 ZINC000415122010 295861143 /nfs/dbraw/zinc/86/11/43/295861143.db2.gz JBRBOZNMNFBXEC-MSOLQXFVSA-N 2 0 306.425 2.852 20 0 DFADRP CCOc1ccc(C[NH+]2CCC([C@@H]3OCCC[C@@H]3[NH3+])CC2)cc1 ZINC000415118701 295860608 /nfs/dbraw/zinc/86/06/08/295860608.db2.gz DVXGFLBJGQIEFV-OALUTQOASA-N 2 0 318.461 2.804 20 0 DFADRP Cc1ccc(F)c(C[NH+]2CCC([C@H]3C[C@H]([NH3+])CCO3)CC2)c1 ZINC000415124357 295861596 /nfs/dbraw/zinc/86/15/96/295861596.db2.gz MNWZWHWIEBHVMO-SJLPKXTDSA-N 2 0 306.425 2.852 20 0 DFADRP CC[C@](C[NH2+][C@@H](C)C[C@H]1CCC[NH2+]1)(C(=O)OC)c1ccccc1 ZINC000415146886 295864733 /nfs/dbraw/zinc/86/47/33/295864733.db2.gz ZKNQKCNLJXMJIW-KVSKMBFKSA-N 2 0 318.461 2.628 20 0 DFADRP C[C@H]1C[C@H]([NH2+][C@@H]2CCO[C@@H]2c2ccc(F)c(F)c2)CCN1C ZINC000182159598 199395518 /nfs/dbraw/zinc/39/55/18/199395518.db2.gz WNPDFAMKCRACET-OUENDJJVSA-N 2 0 310.388 2.867 20 0 DFADRP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)C1(C[NH+](C)C)CCCCC1 ZINC000460199395 299211296 /nfs/dbraw/zinc/21/12/96/299211296.db2.gz CFYUHUKYIMXPHH-QGZVFWFLSA-N 2 0 323.525 2.879 20 0 DFADRP CCC[NH+]1CCC(N(C)C(=O)[C@@H](C)[C@@H]([NH3+])c2ccccc2)CC1 ZINC000236774697 202003020 /nfs/dbraw/zinc/00/30/20/202003020.db2.gz JZVLRGCIBLVUTB-MAUKXSAKSA-N 2 0 317.477 2.655 20 0 DFADRP CC(C)[NH+](CCNC(=O)[C@@H](C)[C@@H]([NH3+])c1ccccc1)C(C)C ZINC000236783174 202006152 /nfs/dbraw/zinc/00/61/52/202006152.db2.gz PNXHWDZZSKHQSK-DOTOQJQBSA-N 2 0 305.466 2.558 20 0 DFADRP COc1ccc(OCCC[N@@H+]2CCC[C@@H]([NH+](C)C)CC2)cc1 ZINC000277033765 213254115 /nfs/dbraw/zinc/25/41/15/213254115.db2.gz BHXDXHYHCQEAIY-MRXNPFEDSA-N 2 0 306.450 2.880 20 0 DFADRP CCC[NH+]1CCC(N(C)C(=O)[C@@H](C)[NH+]2CCCCCC2)CC1 ZINC000074227027 398733071 /nfs/dbraw/zinc/73/30/71/398733071.db2.gz RIJSPPCOGYXPLS-MRXNPFEDSA-N 2 0 309.498 2.584 20 0 DFADRP CC[NH2+]Cc1cccc(NC(=O)NC[C@@H](C)C[NH+]2CCCC2)c1 ZINC000415932990 295903831 /nfs/dbraw/zinc/90/38/31/295903831.db2.gz NSZWIBLGXKHFTB-OAHLLOKOSA-N 2 0 318.465 2.650 20 0 DFADRP CC(C)[C@](C)(O)C[NH2+][C@H](C)c1ccc(OCC[NH+](C)C)cc1 ZINC000178114358 535285328 /nfs/dbraw/zinc/28/53/28/535285328.db2.gz CUDYHRCJGYGUDJ-CRAIPNDOSA-N 2 0 308.466 2.685 20 0 DFADRP CC[NH2+]Cc1ccccc1NC(=O)NC[C@H](C)C[NH+]1CCCC1 ZINC000415943752 295905230 /nfs/dbraw/zinc/90/52/30/295905230.db2.gz MWVVWOLPOINBKD-HNNXBMFYSA-N 2 0 318.465 2.650 20 0 DFADRP CCCN(CC[NH+](CC)CC)C(=O)Nc1ccc(C[NH2+]C)cc1 ZINC000415986107 295908843 /nfs/dbraw/zinc/90/88/43/295908843.db2.gz UPMWNYFAFXMUPW-UHFFFAOYSA-N 2 0 320.481 2.992 20 0 DFADRP C[N@@H+]1CC[C@H]([NH2+]C[C@]2(CO)C[C@@H]2c2ccccc2)[C@H]2CCC[C@@H]21 ZINC000353640728 283138758 /nfs/dbraw/zinc/13/87/58/283138758.db2.gz HNMKIXIMOPIHJM-SLHNCBLASA-N 2 0 314.473 2.615 20 0 DFADRP CC[NH+](CC)CC1CC[NH+](CC(=O)NCC2CCCCC2)CC1 ZINC000047976704 398766939 /nfs/dbraw/zinc/76/69/39/398766939.db2.gz RXYDDYLDVWUSJW-UHFFFAOYSA-N 2 0 323.525 2.737 20 0 DFADRP CC[NH+](CC)[C@H](CNC(=O)C(C)(C)[NH3+])c1ccccc1Cl ZINC000236873207 202046795 /nfs/dbraw/zinc/04/67/95/202046795.db2.gz FERVVHOJWDSFNN-CQSZACIVSA-N 2 0 311.857 2.576 20 0 DFADRP CC[N@H+](C)[C@H](C(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)c1ccccc1 ZINC000081731699 192318006 /nfs/dbraw/zinc/31/80/06/192318006.db2.gz GSGQNJZYLMUIHT-RDJZCZTQSA-N 2 0 319.493 2.772 20 0 DFADRP CC[C@@H](C)[C@H]([NH3+])C(=O)NC[C@@H](c1ccc(C)cc1)[NH+]1CCCC1 ZINC000236941536 202082433 /nfs/dbraw/zinc/08/24/33/202082433.db2.gz SKDHOPPFXJTJKW-NJAFHUGGSA-N 2 0 317.477 2.622 20 0 DFADRP CC[NH+]1CCN(CCCC[NH2+]Cc2ccc([C@@H]3C[C@@H]3C)o2)CC1 ZINC000236940730 202082728 /nfs/dbraw/zinc/08/27/28/202082728.db2.gz ZALVROPWCZQSRI-FUHWJXTLSA-N 2 0 319.493 2.910 20 0 DFADRP CCC[C@H]([NH3+])C(=O)Nc1cc(C[NH+]2CCSCC2)ccc1C ZINC000236945506 202086864 /nfs/dbraw/zinc/08/68/64/202086864.db2.gz SVENWQRMILNCOJ-HNNXBMFYSA-N 2 0 321.490 2.610 20 0 DFADRP CC[NH+](CC)Cc1ccc(CNC(=O)[C@@]2(C)CCCC[NH2+]2)cc1 ZINC000236918344 202069908 /nfs/dbraw/zinc/06/99/08/202069908.db2.gz ZMUWWANYXWOIQA-LJQANCHMSA-N 2 0 317.477 2.677 20 0 DFADRP CC[NH+](CC)Cc1cccc(NC(=O)[C@@H]2CCC[C@H]([NH3+])C2)c1 ZINC000236928951 202076698 /nfs/dbraw/zinc/07/66/98/202076698.db2.gz IZELLNBJMADMGN-CVEARBPZSA-N 2 0 303.450 2.984 20 0 DFADRP CCc1ccc([C@H](CNC(=O)[C@@]2(CC)CCC[NH2+]2)[NH+](C)C)cc1 ZINC000134554009 283192161 /nfs/dbraw/zinc/19/21/61/283192161.db2.gz ZXBYDMWDKASEKY-PKOBYXMFSA-N 2 0 317.477 2.500 20 0 DFADRP CC[N@H+](Cc1ccc(C(=O)N2C[C@H](C)[NH2+]C[C@@H]2C)cc1)C(C)C ZINC000236994193 202113365 /nfs/dbraw/zinc/11/33/65/202113365.db2.gz GHDHFBZUBDPYHB-HOTGVXAUSA-N 2 0 317.477 2.739 20 0 DFADRP CC[N@H+](Cc1ccc(C(=O)NC[C@@H]2CCC[NH2+]C2)cc1)C(C)C ZINC000236995017 202114130 /nfs/dbraw/zinc/11/41/30/202114130.db2.gz UYIRWNLXTWPMPB-QGZVFWFLSA-N 2 0 317.477 2.646 20 0 DFADRP CCC[NH+]1CCC(NC[C@H](c2cccc(OC)c2)[NH+](C)C)CC1 ZINC000121606610 398788193 /nfs/dbraw/zinc/78/81/93/398788193.db2.gz CRCZOVJVLMQZNN-LJQANCHMSA-N 2 0 319.493 2.762 20 0 DFADRP Cc1ccc(C[NH+](C)C)cc1NC(=O)[C@@H]1Cc2ccccc2C[NH2+]1 ZINC000237065661 202140690 /nfs/dbraw/zinc/14/06/90/202140690.db2.gz MRINOPODJJKEAE-IBGZPJMESA-N 2 0 323.440 2.710 20 0 DFADRP CCC[NH+](CCC)CCCC(=O)N(C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000127559796 283208139 /nfs/dbraw/zinc/20/81/39/283208139.db2.gz FUFNWKRXOFPPLP-IAGOWNOFSA-N 2 0 311.514 2.830 20 0 DFADRP CCC[NH+](CCC)CCCC(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@@H]21 ZINC000366328255 283208952 /nfs/dbraw/zinc/20/89/52/283208952.db2.gz ULTHHEQIRMGRAS-MSOLQXFVSA-N 2 0 323.525 2.831 20 0 DFADRP C[NH2+]CCCC(=O)NC[C@H](c1cccs1)[NH+]1CCC(C)CC1 ZINC000237171887 202175666 /nfs/dbraw/zinc/17/56/66/202175666.db2.gz AJAKKIWIIVBIBZ-OAHLLOKOSA-N 2 0 323.506 2.637 20 0 DFADRP C[NH2+]CCCC(=O)NCc1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000237185257 202180038 /nfs/dbraw/zinc/18/00/38/202180038.db2.gz GQRIEOPEDUVFBI-INIZCTEOSA-N 2 0 317.477 2.534 20 0 DFADRP C[NH2+]CCCC(=O)NCc1cccc(C[NH+]2CCCCCC2)c1 ZINC000237187587 202181138 /nfs/dbraw/zinc/18/11/38/202181138.db2.gz WDNRDEPMOQKHSW-UHFFFAOYSA-N 2 0 317.477 2.678 20 0 DFADRP CC(C)[C@H](C[NH2+][C@@H](C)C1CC[NH+](C)CC1)C(=O)OC(C)(C)C ZINC000594510607 398813228 /nfs/dbraw/zinc/81/32/28/398813228.db2.gz AAGVBCQVDXPJAL-HOCLYGCPSA-N 2 0 312.498 2.920 20 0 DFADRP CC(C)[C@H](C[NH2+][C@H](C)C1CC[NH+](C)CC1)C(=O)OC(C)(C)C ZINC000594510608 398813252 /nfs/dbraw/zinc/81/32/52/398813252.db2.gz AAGVBCQVDXPJAL-ZBFHGGJFSA-N 2 0 312.498 2.920 20 0 DFADRP CC[NH+](CC)Cc1ccc(C(=O)NCC[NH2+]C(C)(C)C)cc1 ZINC000075651944 398815420 /nfs/dbraw/zinc/81/54/20/398815420.db2.gz URCLFZBPFQZRTL-UHFFFAOYSA-N 2 0 305.466 2.646 20 0 DFADRP COC(=O)c1ccc2c(c1)[C@@H]([NH2+]C[C@@H](C)C[NH+](C)C)CCC2 ZINC000594524481 398816053 /nfs/dbraw/zinc/81/60/53/398816053.db2.gz QPAMCJBAUHFLFG-DYVFJYSZSA-N 2 0 304.434 2.638 20 0 DFADRP C[C@@H]1C[C@H]([NH3+])CC[N@@H+]1CCCc1nc(-c2cccs2)no1 ZINC000129066500 398833609 /nfs/dbraw/zinc/83/36/09/398833609.db2.gz WZJLVGJYYINRRX-VXGBXAGGSA-N 2 0 306.435 2.542 20 0 DFADRP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)CCCCC(F)(F)F)CC1 ZINC000152661227 283333494 /nfs/dbraw/zinc/33/34/94/283333494.db2.gz AKFRKZANIDVZAM-CYBMUJFWSA-N 2 0 310.404 2.744 20 0 DFADRP CCCC[N@H+](CC)Cc1cccc(CNC(=O)[C@H]([NH3+])CC)c1 ZINC000130589693 398846516 /nfs/dbraw/zinc/84/65/16/398846516.db2.gz OAKAMHVUGPSRGT-QGZVFWFLSA-N 2 0 305.466 2.662 20 0 DFADRP C[C@@H](CC(=O)N(CC[NH+](C)C)c1ccccc1)[C@@H]1CCC[NH2+]C1 ZINC000237308529 202226322 /nfs/dbraw/zinc/22/63/22/202226322.db2.gz BEVGQHALLJLQPH-DLBZAZTESA-N 2 0 317.477 2.607 20 0 DFADRP CC[C@@H]([NH2+]C[C@@H](C)CN1CC[NH+](C)CC1)c1ccccc1F ZINC000180439366 199159602 /nfs/dbraw/zinc/15/96/02/199159602.db2.gz XDQGDBVOGQYCOF-CRAIPNDOSA-N 2 0 307.457 2.750 20 0 DFADRP COC(=O)c1ccc(CN(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)c(F)c1 ZINC000135687070 398871971 /nfs/dbraw/zinc/87/19/71/398871971.db2.gz SJWIORMEOKGGCM-IUODEOHRSA-N 2 0 308.397 2.527 20 0 DFADRP COC(=O)[C@@H]1C[C@@H]1[C@H](C)[NH2+]C[C@@H]1CCC[N@@H+]1C1CCCCC1 ZINC000594938439 398876716 /nfs/dbraw/zinc/87/67/16/398876716.db2.gz WDMFDGKIKWASSB-QMCVQRASSA-N 2 0 308.466 2.571 20 0 DFADRP CSC1(C[NH2+]Cc2c(C3CCC3)cnn2C)CC[NH+](C)CC1 ZINC000594945835 398879153 /nfs/dbraw/zinc/87/91/53/398879153.db2.gz YBPNOOMLYJUPPC-UHFFFAOYSA-N 2 0 322.522 2.605 20 0 DFADRP CC(C)(C)OC(=O)C1(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)CCC1 ZINC000594993074 398887801 /nfs/dbraw/zinc/88/78/01/398887801.db2.gz ADMVDZYHAVZFCB-HUUCEWRRSA-N 2 0 308.466 2.715 20 0 DFADRP [NH3+]CC1(C(=O)N2CCC[C@H](C[NH+]3CCCCCC3)C2)CCCC1 ZINC000167386362 283382762 /nfs/dbraw/zinc/38/27/62/283382762.db2.gz DZNIAZJVHIPXGG-QGZVFWFLSA-N 2 0 321.509 2.620 20 0 DFADRP C[C@H]([NH2+]C[C@@H]1C[C@@H]1C)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000469111597 299283918 /nfs/dbraw/zinc/28/39/18/299283918.db2.gz UCBMORZSRSIBJN-KKUMJFAQSA-N 2 0 305.441 2.884 20 0 DFADRP CCOC(=O)c1[nH]c(C)c(C[NH2+]C[C@H]2CCC[N@H+](CC)C2)c1C ZINC000598959328 398897785 /nfs/dbraw/zinc/89/77/85/398897785.db2.gz ILYDRVIRDQPCBI-OAHLLOKOSA-N 2 0 321.465 2.630 20 0 DFADRP Cc1ccc([C@H](C)[NH2+][C@H](C)CCN2CC[NH+](C)CC2)c(C)c1 ZINC000186589232 199978443 /nfs/dbraw/zinc/97/84/43/199978443.db2.gz QXCRGWSQKXLYGZ-MSOLQXFVSA-N 2 0 303.494 2.980 20 0 DFADRP CC(C)[C@H](C[NH2+][C@H](C)Cc1ccccc1F)N1CC[NH+](C)CC1 ZINC000186740354 200001750 /nfs/dbraw/zinc/00/17/50/200001750.db2.gz YEDCPUILDPCOTK-APWZRJJASA-N 2 0 321.484 2.618 20 0 DFADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CC2(SCC)CC2)[C@H](C)C1 ZINC000595098228 398904580 /nfs/dbraw/zinc/90/45/80/398904580.db2.gz DZIINMKKZMTMGE-HZPDHXFCSA-N 2 0 314.539 2.999 20 0 DFADRP C[N@@H+]1CC[C@H]([NH2+]CC2(C(=O)OC(C)(C)C)CCC2)[C@H]2CCC[C@H]21 ZINC000595098123 398904844 /nfs/dbraw/zinc/90/48/44/398904844.db2.gz AUCJZVWRIQIZAG-OWCLPIDISA-N 2 0 322.493 2.961 20 0 DFADRP CSC1(C[NH2+][C@@H]2CCCc3scnc32)CC[NH+](C)CC1 ZINC000599046768 398912625 /nfs/dbraw/zinc/91/26/25/398912625.db2.gz NBQPGUOCVKEIMC-GFCCVEGCSA-N 2 0 311.520 2.938 20 0 DFADRP CCOC(=O)[C@@H]1CC[C@H]([NH2+]C[C@@H]2CCCC[N@H+](C)C2)C[C@H]1C ZINC000599071633 398916935 /nfs/dbraw/zinc/91/69/35/398916935.db2.gz RQJDPVFZPKGJFM-LTIDMASMSA-N 2 0 310.482 2.676 20 0 DFADRP C[C@@H]1C[C@@H](NC(=O)c2ccc(C[NH3+])cc2)C[N@@H+]1Cc1ccccc1 ZINC000237570258 202289080 /nfs/dbraw/zinc/28/90/80/202289080.db2.gz CDRGRKDFEZUIRS-DNVCBOLYSA-N 2 0 323.440 2.538 20 0 DFADRP C[C@H](CC(=O)NC1CC[NH+](C2CCCC2)CC1)[C@@H]1CCC[NH2+]C1 ZINC000237598736 202299370 /nfs/dbraw/zinc/29/93/70/202299370.db2.gz AASIOWYTJFXZJJ-HZPDHXFCSA-N 2 0 321.509 2.535 20 0 DFADRP C[C@H](C[NH2+][C@@H]1CC[C@H](Cc2ccccc2)C1)N1CC[NH+](C)CC1 ZINC000189152531 200356336 /nfs/dbraw/zinc/35/63/36/200356336.db2.gz LCJHVEAZCJLOKE-MISYRCLQSA-N 2 0 315.505 2.623 20 0 DFADRP C[C@@H]1C[C@H](NCC2([NH+](C)C)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000417351465 296012798 /nfs/dbraw/zinc/01/27/98/296012798.db2.gz CRLWPTIOGWFUFS-SJLPKXTDSA-N 2 0 301.478 2.723 20 0 DFADRP C[C@@H]1C[C@@H](NCC2([NH+](C)C)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000417351463 296012829 /nfs/dbraw/zinc/01/28/29/296012829.db2.gz CRLWPTIOGWFUFS-AEFFLSMTSA-N 2 0 301.478 2.723 20 0 DFADRP C[NH+](C)C1(CNC2CC[NH+](CCc3ccc(F)cc3)CC2)CC1 ZINC000417375454 296014669 /nfs/dbraw/zinc/01/46/69/296014669.db2.gz BZJPHXKBUJJUCQ-UHFFFAOYSA-N 2 0 319.468 2.516 20 0 DFADRP C[C@@]1(O)C[C@H]([NH2+][C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)C1 ZINC000417392168 296016280 /nfs/dbraw/zinc/01/62/80/296016280.db2.gz AZADCZJJKDAKDO-OBKDMQGPSA-N 2 0 314.473 2.790 20 0 DFADRP CC[NH+](CC)Cc1ccc(CNC(=O)[C@@H]2CCCC[N@@H+]2C)cc1 ZINC000599296122 398949896 /nfs/dbraw/zinc/94/98/96/398949896.db2.gz SEYVJALJAPSQEY-SFHVURJKSA-N 2 0 317.477 2.629 20 0 DFADRP C[N@H+](CCC[NH+]1CCCC1)CCC(=O)Nc1ccc(F)cc1 ZINC000281287685 216211939 /nfs/dbraw/zinc/21/19/39/216211939.db2.gz JCRPHGIVINNPDI-UHFFFAOYSA-N 2 0 307.413 2.572 20 0 DFADRP C[C@@H]([NH3+])[C@@H](C)C(=O)NC[C@@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC000192095644 296021688 /nfs/dbraw/zinc/02/16/88/296021688.db2.gz HVIGMXSQVWWJDP-IOASZLSFSA-N 2 0 323.868 2.576 20 0 DFADRP C[C@H]([NH2+]CC1=CC[N@H+](C)CC1)c1ccc(N2CCCC2=O)cc1 ZINC000271901791 209309803 /nfs/dbraw/zinc/30/98/03/209309803.db2.gz VUXUBLVDJVCAMB-HNNXBMFYSA-N 2 0 313.445 2.726 20 0 DFADRP C[C@@H]([NH3+])[C@H](C)C(=O)NCc1ccccc1C[NH+]1CCC(C)CC1 ZINC000192094029 200816503 /nfs/dbraw/zinc/81/65/03/200816503.db2.gz KPFLTBIDEGLXMP-JKSUJKDBSA-N 2 0 317.477 2.518 20 0 DFADRP C[C@@H]([NH3+])CCC(=O)NCc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000193306052 201025982 /nfs/dbraw/zinc/02/59/82/201025982.db2.gz YWXCDWBUHSEGSM-MRXNPFEDSA-N 2 0 317.477 2.806 20 0 DFADRP C[C@@H](c1cccc(F)c1)[NH+]1CCC(C[NH+]2CCOCC2)CC1 ZINC000056494561 398975369 /nfs/dbraw/zinc/97/53/69/398975369.db2.gz NGRIMOLYKYPTIW-HNNXBMFYSA-N 2 0 306.425 2.931 20 0 DFADRP C[C@H](CC(C)(C)c1ccccc1)[NH2+]CC1(O)CC[NH+](C)CC1 ZINC000271870451 209283350 /nfs/dbraw/zinc/28/33/50/209283350.db2.gz MONNNRRYVZIXFM-MRXNPFEDSA-N 2 0 304.478 2.789 20 0 DFADRP CC(C)c1ccc([C@@H]([NH3+])CNC(=O)CC[C@@H]2CCC[NH2+]C2)cc1 ZINC000621621885 398998305 /nfs/dbraw/zinc/99/83/05/398998305.db2.gz MZIQFPLCFRLJFD-YJBOKZPZSA-N 2 0 317.477 2.706 20 0 DFADRP CC(C)c1ccc([C@@H]([NH3+])CNC(=O)[C@H]2[NH2+]CCCC2(C)C)cc1 ZINC000417783755 296050500 /nfs/dbraw/zinc/05/05/00/296050500.db2.gz ACBCRQLGFXQQHR-DLBZAZTESA-N 2 0 317.477 2.704 20 0 DFADRP C[C@H](CC(=O)Nc1cccc(Cl)c1)[NH2+]CC1=CC[N@H+](C)CC1 ZINC000271848697 209265158 /nfs/dbraw/zinc/26/51/58/209265158.db2.gz IIFSNBJEMWHHGV-CYBMUJFWSA-N 2 0 321.852 2.909 20 0 DFADRP CC(C)(C(=O)N[C@@H](C[NH3+])C1CCCCC1)[C@@H]([NH3+])c1ccccc1 ZINC000417800398 296052254 /nfs/dbraw/zinc/05/22/54/296052254.db2.gz SOGCASGBLSWAMM-IRXDYDNUSA-N 2 0 317.477 2.736 20 0 DFADRP Cc1cc(C[NH+]2CCC(CCC[NH+]3CCCC3)CC2)n(C)n1 ZINC000417815909 296054121 /nfs/dbraw/zinc/05/41/21/296054121.db2.gz SKRGQLMBPSHJQV-UHFFFAOYSA-N 2 0 304.482 2.817 20 0 DFADRP C[C@H](CC(=O)N[C@H](CCC[NH3+])c1ccccc1)[C@H]1CCC[NH2+]C1 ZINC000417823891 296055057 /nfs/dbraw/zinc/05/50/57/296055057.db2.gz ASZLSMPBIJWUFT-BPQIPLTHSA-N 2 0 317.477 2.609 20 0 DFADRP CCc1ccccc1[C@@H]([NH3+])CNC(=O)CC1(C[NH3+])CCCCC1 ZINC000417825962 296055182 /nfs/dbraw/zinc/05/51/82/296055182.db2.gz CXUPDOJUNJNSNR-KRWDZBQOSA-N 2 0 317.477 2.664 20 0 DFADRP CC(C)(C(=O)NC[C@@H]1[NH2+]CCCC1(C)C)[C@@H]([NH3+])c1ccccc1 ZINC000417834468 296055944 /nfs/dbraw/zinc/05/59/44/296055944.db2.gz VHYSSYFJRLSVKB-HOTGVXAUSA-N 2 0 317.477 2.607 20 0 DFADRP [NH3+]CCC[C@H](NC(=O)C[C@@H]([NH3+])c1ccccc1)c1ccccc1 ZINC000417844415 296057179 /nfs/dbraw/zinc/05/71/79/296057179.db2.gz WQAJECHTNLXCKS-MSOLQXFVSA-N 2 0 311.429 2.673 20 0 DFADRP CC(C)[C@@H](CNC(=O)CC[C@@H]1CCC[NH2+]C1)[NH+]1CCC(C)CC1 ZINC000621642772 399007775 /nfs/dbraw/zinc/00/77/75/399007775.db2.gz VSHPUEJTXPGEFD-ZWKOTPCHSA-N 2 0 323.525 2.639 20 0 DFADRP Cc1ccc(C[NH+](C)C)cc1NC(=O)CC[C@@H]1CCC[NH2+]C1 ZINC000621650654 399008700 /nfs/dbraw/zinc/00/87/00/399008700.db2.gz AJDOTUQOTUJUQA-HNNXBMFYSA-N 2 0 303.450 2.775 20 0 DFADRP CCCC[N@@H+]1CCCC[C@H]1CNC(=O)[C@@H](C)[NH2+]C(C)(C)CC ZINC000475925071 299350954 /nfs/dbraw/zinc/35/09/54/299350954.db2.gz FHMYSUUZLQNAAP-CVEARBPZSA-N 2 0 311.514 2.924 20 0 DFADRP C[C@@H]1C[N@H+](CCCc2cncn2C)CC[C@H]1C(=O)OC(C)(C)C ZINC000599579773 399019556 /nfs/dbraw/zinc/01/95/56/399019556.db2.gz BZNMYFSZXWUFBS-GDBMZVCRSA-N 2 0 321.465 2.652 20 0 DFADRP C[NH+](C)CCN1CCC([NH2+][C@H](c2ccccc2)C2CC2)CC1 ZINC000091283697 193029726 /nfs/dbraw/zinc/02/97/26/193029726.db2.gz MHOULJYRCOSRDE-LJQANCHMSA-N 2 0 301.478 2.753 20 0 DFADRP CC(C)[C@H]([NH2+]C[C@H](C)CN1CC[NH+](C)CC1)c1ccccc1 ZINC000091320542 193040987 /nfs/dbraw/zinc/04/09/87/193040987.db2.gz PKWOFWXHUJRBIH-HKUYNNGSSA-N 2 0 303.494 2.857 20 0 DFADRP COc1ccc([C@@H]([NH2+][C@H](C)CN2CC[NH+](C)CC2)C(C)C)cc1 ZINC000091334709 193041298 /nfs/dbraw/zinc/04/12/98/193041298.db2.gz CDJBZKAFDAHSAU-APWZRJJASA-N 2 0 319.493 2.618 20 0 DFADRP CC(=O)N1CC[C@H]([NH2+]CCC[NH+]2CCCC2)c2ccccc21 ZINC000621749131 399063848 /nfs/dbraw/zinc/06/38/48/399063848.db2.gz SNNJPUVWLAYJQW-KRWDZBQOSA-N 2 0 301.434 2.560 20 0 DFADRP c1ccc(C(OCCN2C[C@H]3C[NH2+]C[C@H]3C2)c2ccccc2)cc1 ZINC000479794099 299383774 /nfs/dbraw/zinc/38/37/74/299383774.db2.gz FTXTWFMXVSJEKK-BGYRXZFFSA-N 2 0 322.452 2.944 20 0 DFADRP C[C@@H]([NH2+]CCC1CC[NH+](C)CC1)c1ccc(C(=O)N(C)C)cc1 ZINC000292293637 296121377 /nfs/dbraw/zinc/12/13/77/296121377.db2.gz VJQWAESTQNSVNT-OAHLLOKOSA-N 2 0 317.477 2.771 20 0 DFADRP COC(=O)[C@@H]1CCCCCC[C@H]1[NH2+]CC[C@H]1CCCC[N@@H+]1C ZINC000481442749 299395824 /nfs/dbraw/zinc/39/58/24/299395824.db2.gz XMJCFSUHFYIEHO-BRWVUGGUSA-N 2 0 310.482 2.962 20 0 DFADRP CC(C)OC1CC([NH2+]CCc2ccc(OCC[NH+](C)C)cc2)C1 ZINC000275117178 212130877 /nfs/dbraw/zinc/13/08/77/212130877.db2.gz ICKIBHUZCQNBSL-UHFFFAOYSA-N 2 0 320.477 2.715 20 0 DFADRP CC[N@@H+]1CC[C@@H](C[NH2+]Cc2ccc(C)cc2-c2ccnn2C)C1 ZINC000338433234 284113045 /nfs/dbraw/zinc/11/30/45/284113045.db2.gz WAVZUPZLAKUPDT-INIZCTEOSA-N 2 0 312.461 2.827 20 0 DFADRP C[C@H](C(=O)NCCC[N@@H+]1CCCC[C@@H]1C)[C@H]([NH3+])c1ccccc1 ZINC000261786655 203116139 /nfs/dbraw/zinc/11/61/39/203116139.db2.gz SOILJWYCTHNAEN-BQFCYCMXSA-N 2 0 317.477 2.703 20 0 DFADRP CCc1ccc([C@H]2C[NH2+]CCN2C(=O)CCCCCC[NH3+])cc1 ZINC000261794893 203117711 /nfs/dbraw/zinc/11/77/11/203117711.db2.gz QKRYRICYJDZANA-GOSISDBHSA-N 2 0 317.477 2.631 20 0 DFADRP CC[N@@H+]1CCCC[C@H]1C(=O)NCC1CC[NH+](CCC(C)C)CC1 ZINC000079995719 399105544 /nfs/dbraw/zinc/10/55/44/399105544.db2.gz BFFMINRUBILTFB-SFHVURJKSA-N 2 0 323.525 2.735 20 0 DFADRP CCC[C@@](C)([NH3+])C(=O)NCc1ccccc1C[NH+](CC)CC ZINC000261922045 203153800 /nfs/dbraw/zinc/15/38/00/203153800.db2.gz IAJJSEURAZYKPR-GOSISDBHSA-N 2 0 305.466 2.662 20 0 DFADRP CCC[C@](C)([NH3+])C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000262149592 203211435 /nfs/dbraw/zinc/21/14/35/203211435.db2.gz QWSOIQZILSITMM-WDYCEAGBSA-N 2 0 317.477 2.673 20 0 DFADRP CCC[C@](C)([NH3+])C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000262148101 203212397 /nfs/dbraw/zinc/21/23/97/203212397.db2.gz QWSOIQZILSITMM-IEZWGBDMSA-N 2 0 317.477 2.673 20 0 DFADRP CC[NH+]1CCN([C@H]2CC[N@H+](Cc3cccc(C)c3C)C2)CC1 ZINC000093132937 193205966 /nfs/dbraw/zinc/20/59/66/193205966.db2.gz NAWMSCVCJYRMTD-IBGZPJMESA-N 2 0 301.478 2.515 20 0 DFADRP COCC[N@H+](C)CCCC1CC[NH+](Cc2ncccc2C)CC1 ZINC000093256705 193220843 /nfs/dbraw/zinc/22/08/43/193220843.db2.gz VGDLSCCKBBGXHG-UHFFFAOYSA-N 2 0 319.493 2.960 20 0 DFADRP Cc1ccc([C@@H]([NH3+])C(=O)NCCCCC[NH+]2CCCCC2)cc1 ZINC000262606357 203347205 /nfs/dbraw/zinc/34/72/05/203347205.db2.gz ATXMXZYMGPYGNT-GOSISDBHSA-N 2 0 317.477 2.767 20 0 DFADRP CCC[N@H+](C)C[C@@H]1CCN(C(=O)[C@H](C)[C@H]([NH3+])c2ccccc2)C1 ZINC000262675489 203378858 /nfs/dbraw/zinc/37/88/58/203378858.db2.gz RRDZCLMARPOORL-RYRKJORJSA-N 2 0 317.477 2.513 20 0 DFADRP C[C@H]1CCCC[N@@H+]1Cc1ccc(NC(=O)C[NH2+]CC2CC2)cc1 ZINC000262680833 203380289 /nfs/dbraw/zinc/38/02/89/203380289.db2.gz XCWNYIOQJUVLDN-HNNXBMFYSA-N 2 0 315.461 2.999 20 0 DFADRP CCC[C@@](C)([NH3+])C(=O)Nc1ccc2ccn(CC[NH+](C)C)c2c1 ZINC000262656892 203367968 /nfs/dbraw/zinc/36/79/68/203367968.db2.gz CUSAFLDACXQPRK-GOSISDBHSA-N 2 0 316.449 2.659 20 0 DFADRP C[C@@H]([NH2+][C@@H](C)CN1CC[NH+](C)CC1)c1ccc2c(c1)CCCC2 ZINC000155096390 296146965 /nfs/dbraw/zinc/14/69/65/296146965.db2.gz OMTUCHFECLKKDU-DLBZAZTESA-N 2 0 315.505 2.852 20 0 DFADRP Cc1cc(C[NH2+]CCOCC[NH+](C)C)ccc1C(F)(F)F ZINC000419690130 296147033 /nfs/dbraw/zinc/14/70/33/296147033.db2.gz USXNKBYJJJYLKU-UHFFFAOYSA-N 2 0 304.356 2.682 20 0 DFADRP COCC[N@H+](C)CCCC1CC[NH+](Cc2cccn2C)CC1 ZINC000093769490 193302800 /nfs/dbraw/zinc/30/28/00/193302800.db2.gz UAJYUYDMLSZVME-UHFFFAOYSA-N 2 0 307.482 2.596 20 0 DFADRP COC(=O)c1cc(C[N@@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)cs1 ZINC000595900963 399127813 /nfs/dbraw/zinc/12/78/13/399127813.db2.gz QJKYHDWNVMYVQR-HNNXBMFYSA-N 2 0 322.474 2.746 20 0 DFADRP Cc1cc(C[NH+](C)C)cc(NC(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)c1 ZINC000340334326 284177847 /nfs/dbraw/zinc/17/78/47/284177847.db2.gz RLVPXDCVPGWQFE-GASCZTMLSA-N 2 0 303.450 2.868 20 0 DFADRP CCOC(=O)CCCCC[NH+]1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000595901493 399129459 /nfs/dbraw/zinc/12/94/59/399129459.db2.gz XEUIQOKPPVMROG-QGZVFWFLSA-N 2 0 310.482 2.822 20 0 DFADRP C[N@@H+]1CCCC[C@@H]1CCC(=O)NCCC[NH2+]C1CCCCC1 ZINC000419888348 296150804 /nfs/dbraw/zinc/15/08/04/296150804.db2.gz FNUJVSLMGCTYMN-QGZVFWFLSA-N 2 0 309.498 2.680 20 0 DFADRP C[C@H]([NH2+]C1CCC(O)CC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000274925758 212038658 /nfs/dbraw/zinc/03/86/58/212038658.db2.gz PUAXHTIDCGBMRS-FLODPWGTSA-N 2 0 302.462 2.790 20 0 DFADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+][C@H](C)c2ccc(Cl)cn2)CC1 ZINC000274914494 212030633 /nfs/dbraw/zinc/03/06/33/212030633.db2.gz NYTRVFCUDYDCRU-LSDHHAIUSA-N 2 0 324.900 2.659 20 0 DFADRP CN(CCCC[NH+](C)C)C(=O)c1ccc(C[NH+]2CCCC2)cc1 ZINC000607038448 399136905 /nfs/dbraw/zinc/13/69/05/399136905.db2.gz WOUJUVDEWPKEAK-UHFFFAOYSA-N 2 0 317.477 2.696 20 0 DFADRP C[N@@H+]1CCN(CC[NH2+][C@@H](c2ccccc2)C2CC2)CC1(C)C ZINC000282455906 217008517 /nfs/dbraw/zinc/00/85/17/217008517.db2.gz VHQOEPJIXGAGIE-SFHVURJKSA-N 2 0 301.478 2.753 20 0 DFADRP Cc1cc(N2CCO[C@H](C[NH3+])C2)c2cc(Cl)cc(C)c2[nH+]1 ZINC000420230827 296164142 /nfs/dbraw/zinc/16/41/42/296164142.db2.gz AVEIBERUBITYDC-CYBMUJFWSA-N 2 0 305.809 2.669 20 0 DFADRP Cn1cc(CC[NH+]2CCC(C[NH+]3CCCCCC3)CC2)cn1 ZINC000607151128 399146327 /nfs/dbraw/zinc/14/63/27/399146327.db2.gz FMKQWKBAIOBXFV-UHFFFAOYSA-N 2 0 304.482 2.551 20 0 DFADRP FC(F)(F)c1ccc2c(NC[C@H]3C[NH2+]CCO3)cc[nH+]c2c1 ZINC000420273119 296168131 /nfs/dbraw/zinc/16/81/31/296168131.db2.gz CVJPEOVHSMQQLM-LLVKDONJSA-N 2 0 311.307 2.654 20 0 DFADRP C[NH2+]C[C@H]1CCCN(Cc2ccc3oc(C(=O)OC)cc3c2)C1 ZINC000420278569 296168604 /nfs/dbraw/zinc/16/86/04/296168604.db2.gz VTSJERBCSITVSF-CQSZACIVSA-N 2 0 316.401 2.651 20 0 DFADRP C[N@H+](CCOc1ccccc1Br)CC(C)(C)C[NH3+] ZINC000420291002 296169838 /nfs/dbraw/zinc/16/98/38/296169838.db2.gz MWMJDLQPMRNVCE-UHFFFAOYSA-N 2 0 315.255 2.745 20 0 DFADRP OCCC[N@H+](CC[C@@H]1CC[NH2+]C1)[C@H]1CCCc2ccccc21 ZINC000420294602 296170414 /nfs/dbraw/zinc/17/04/14/296170414.db2.gz BJJDXYXAGXZOHT-LPHOPBHVSA-N 2 0 302.462 2.748 20 0 DFADRP Cc1ccc([C@@H](C)[N@H+](C)C[C@H](O)[C@@H]([NH3+])Cc2ccccc2)cc1 ZINC000420295806 296170670 /nfs/dbraw/zinc/17/06/70/296170670.db2.gz AXCSVPKDMXPXEN-UXPWSPDFSA-N 2 0 312.457 2.919 20 0 DFADRP FC(F)(F)C1(C(F)(F)F)CC[N@H+](CC[C@H]2CC[NH2+]C2)C1 ZINC000420296454 296170997 /nfs/dbraw/zinc/17/09/97/296170997.db2.gz DPXIGIZDNPYTBV-SECBINFHSA-N 2 0 304.278 2.803 20 0 DFADRP CC(C)[C@](C)(C[NH3+])[NH2+]CCOc1ccccc1Br ZINC000420298682 296171341 /nfs/dbraw/zinc/17/13/41/296171341.db2.gz FQXHZSFODUPDNB-AWEZNQCLSA-N 2 0 315.255 2.791 20 0 DFADRP CC[N@H+](CC[C@@H]1CCC[NH2+]C1)C[C@H]1COc2ccccc2O1 ZINC000420299022 296171356 /nfs/dbraw/zinc/17/13/56/296171356.db2.gz GBWKCWUKLNRBPB-HOTGVXAUSA-N 2 0 304.434 2.538 20 0 DFADRP c1ccc2c(c1)cccc2CN1CC[NH+](CC[C@@H]2CC[NH2+]C2)CC1 ZINC000420300787 296171573 /nfs/dbraw/zinc/17/15/73/296171573.db2.gz KNAKNRLXOHPXTG-SFHVURJKSA-N 2 0 323.484 2.957 20 0 DFADRP CC[NH+](CC)CCN(CC[C@@H]1CC[NH2+]C1)Cc1cccs1 ZINC000420303410 296172241 /nfs/dbraw/zinc/17/22/41/296172241.db2.gz NIDDBTOVDQKFRB-INIZCTEOSA-N 2 0 309.523 2.892 20 0 DFADRP COc1ccc(CC2CC[NH+](CC[C@@H]3CC[NH2+]C3)CC2)cc1 ZINC000420302092 296171818 /nfs/dbraw/zinc/17/18/18/296171818.db2.gz MAQIMSNGWCWICL-SFHVURJKSA-N 2 0 302.462 2.949 20 0 DFADRP COc1ccc([C@H](C[NH3+])C[N@@H+]2CCC[C@@]3(CCCOC3)C2)cc1 ZINC000420308123 296172840 /nfs/dbraw/zinc/17/28/40/296172840.db2.gz SAXMPOASLYKLPE-IEBWSBKVSA-N 2 0 318.461 2.630 20 0 DFADRP Cc1c(Br)cccc1CN1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000420309351 296172904 /nfs/dbraw/zinc/17/29/04/296172904.db2.gz FDTPUBSZULCPDH-UKRRQHHQSA-N 2 0 309.251 2.941 20 0 DFADRP Cc1ccc([C@H]2[C@@H](C)CCC[N@@H+]2CCN2CC[NH2+]CC2)cc1 ZINC000420306631 296172435 /nfs/dbraw/zinc/17/24/35/296172435.db2.gz QPKKMHCYSQXGLY-PKOBYXMFSA-N 2 0 301.478 2.673 20 0 DFADRP Cc1cccc(NC(=O)[C@H](C)[NH+]2CCC([C@H](C)[NH3+])CC2)c1C ZINC000420305774 296172511 /nfs/dbraw/zinc/17/25/11/296172511.db2.gz ZMBIWTFRFJNCPF-GJZGRUSLSA-N 2 0 303.450 2.690 20 0 DFADRP C[N@H+](CC[C@@H]1CCC[NH2+]C1)[C@H]1CCCN(c2ccccc2)C1=O ZINC000420306659 296172536 /nfs/dbraw/zinc/17/25/36/296172536.db2.gz QUJCVHRCIQIOBC-WMZOPIPTSA-N 2 0 315.461 2.504 20 0 DFADRP CC[NH+](CC)Cc1cccc(NC(=O)[C@H]2C[N@H+](C)C[C@@H]2C)c1 ZINC000341696534 284276505 /nfs/dbraw/zinc/27/65/05/284276505.db2.gz RSDOOSKGOBXPNK-YOEHRIQHSA-N 2 0 303.450 2.665 20 0 DFADRP Cc1cc(-c2noc(C[N@@H+]3CCC[C@@H](CC[NH3+])C3)n2)ccc1F ZINC000420313671 296173686 /nfs/dbraw/zinc/17/36/86/296173686.db2.gz PQLQBAIGGSOVAQ-ZDUSSCGKSA-N 2 0 318.396 2.745 20 0 DFADRP COc1ccc([C@@H](C[NH3+])CN(C)C2CC[NH+](C(C)C)CC2)cc1 ZINC000420315039 296173752 /nfs/dbraw/zinc/17/37/52/296173752.db2.gz ZKCWTVPVJGVUTP-KRWDZBQOSA-N 2 0 319.493 2.542 20 0 DFADRP COc1c(C)cnc(C[N@@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)c1C ZINC000420319390 296174434 /nfs/dbraw/zinc/17/44/34/296174434.db2.gz ABFNLFOBIQVIBZ-HZPDHXFCSA-N 2 0 303.450 2.529 20 0 DFADRP Cc1cccc(NC(=O)[C@H](C)[N@@H+]2CCC[C@@H](CC[NH3+])C2)c1C ZINC000420317492 296174161 /nfs/dbraw/zinc/17/41/61/296174161.db2.gz UOXJWICVVTUSKE-HOTGVXAUSA-N 2 0 303.450 2.691 20 0 DFADRP C[N@H+](CC[C@@H]1CCC[NH2+]C1)[C@@H]1CCCN(c2ccccc2)C1 ZINC000420321644 296174989 /nfs/dbraw/zinc/17/49/89/296174989.db2.gz RIVOTIJXCRCCEI-PKOBYXMFSA-N 2 0 301.478 2.977 20 0 DFADRP COc1cccc(NC2CC[NH+](CC[C@H]3CCC[NH2+]C3)CC2)c1 ZINC000420324909 296175154 /nfs/dbraw/zinc/17/51/54/296175154.db2.gz VUAUQCGIUHOORA-MRXNPFEDSA-N 2 0 317.477 2.961 20 0 DFADRP C[C@H](c1nc(C(C)(C)C)no1)[N@@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000420323246 296175219 /nfs/dbraw/zinc/17/52/19/296175219.db2.gz FWZJEXQDYJSGED-RDBSUJKOSA-N 2 0 306.454 2.750 20 0 DFADRP C[C@H](c1nc(C(C)(C)C)no1)[N@@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000420323239 296175410 /nfs/dbraw/zinc/17/54/10/296175410.db2.gz FWZJEXQDYJSGED-HZSPNIEDSA-N 2 0 306.454 2.750 20 0 DFADRP [NH3+]C[C@H]1C[N@@H+]([C@@H]2CCc3ccc(F)cc32)CC12CCOCC2 ZINC000420321270 296174807 /nfs/dbraw/zinc/17/48/07/296174807.db2.gz COZYGRMVVREVNG-WMLDXEAASA-N 2 0 304.409 2.500 20 0 DFADRP Cc1ccc(C(=O)C2CC[NH+](CC[C@@H]3CC[NH2+]C3)CC2)cc1 ZINC000420327774 296176171 /nfs/dbraw/zinc/17/61/71/296176171.db2.gz YSAUCGOYAXGDTL-INIZCTEOSA-N 2 0 300.446 2.889 20 0 DFADRP c1ccc(OCCOCC[NH+]2CCC([C@H]3CCC[NH2+]3)CC2)cc1 ZINC000420331184 296176383 /nfs/dbraw/zinc/17/63/83/296176383.db2.gz BSOLOESLWGEMSJ-LJQANCHMSA-N 2 0 318.461 2.546 20 0 DFADRP [NH3+]C[C@H]1C[N@@H+]([C@H]2CCCc3ccc(F)cc32)CC12CCOCC2 ZINC000420325548 296175805 /nfs/dbraw/zinc/17/58/05/296175805.db2.gz IUMXWAMXGCLNCQ-YJBOKZPZSA-N 2 0 318.436 2.890 20 0 DFADRP C[C@H](c1ccc(-n2cncn2)cc1)[N@H+](C)CC[C@@H]1CCC[NH2+]C1 ZINC000420326845 296175812 /nfs/dbraw/zinc/17/58/12/296175812.db2.gz XXJIOFYMEUVELM-CVEARBPZSA-N 2 0 313.449 2.650 20 0 DFADRP O=C(CC[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1)Nc1ccc(Cl)cc1 ZINC000420329719 296175999 /nfs/dbraw/zinc/17/59/99/296175999.db2.gz HEHSZSYBBQSELA-OKILXGFUSA-N 2 0 321.852 2.600 20 0 DFADRP CC(C)N(C(=O)C[NH+]1CCC([C@@H]2CCC[NH2+]2)CC1)C1CCCC1 ZINC000420337648 296177199 /nfs/dbraw/zinc/17/71/99/296177199.db2.gz OEQOLDIUEBITNN-SFHVURJKSA-N 2 0 321.509 2.630 20 0 DFADRP CCc1cccc(OCC[N@@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)c1 ZINC000420332712 296176778 /nfs/dbraw/zinc/17/67/78/296176778.db2.gz DROGVJRBDASVAM-ROUUACIJSA-N 2 0 302.462 2.949 20 0 DFADRP c1cnc2sc(C[NH+]3CCC([C@H]4CCC[NH2+]4)CC3)nc2c1 ZINC000420342163 296177774 /nfs/dbraw/zinc/17/77/74/296177774.db2.gz WVEIIBNZBYZXIJ-CYBMUJFWSA-N 2 0 302.447 2.655 20 0 DFADRP O=C(CC[NH+]1CCC([C@H]2CCC[NH2+]2)CC1)Nc1ccc(F)cc1 ZINC000420341494 296177836 /nfs/dbraw/zinc/17/78/36/296177836.db2.gz ORDKIMPGSXSATN-QGZVFWFLSA-N 2 0 319.424 2.618 20 0 DFADRP C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)[C@@](C)([NH3+])c1ccccc1 ZINC000278238319 214041592 /nfs/dbraw/zinc/04/15/92/214041592.db2.gz LDESJLLAIWPVDI-APWZRJJASA-N 2 0 317.477 2.631 20 0 DFADRP c1cc(-c2noc(C[N@@H+]3CCC[C@@H]([C@H]4CC[NH2+]C4)C3)n2)cs1 ZINC000420346873 296178443 /nfs/dbraw/zinc/17/84/43/296178443.db2.gz ZHVJFQHYZPVGSZ-QWHCGFSZSA-N 2 0 318.446 2.620 20 0 DFADRP Cc1cc([C@@H]2C[N@H+](CCC3CC[NH2+]CC3)CCO2)ccc1F ZINC000420354305 296178765 /nfs/dbraw/zinc/17/87/65/296178765.db2.gz CVHDXJOGNYQJBB-SFHVURJKSA-N 2 0 306.425 2.897 20 0 DFADRP COc1cccc([C@H](C)[NH+]2CCC([C@@H]3OCCC[C@@H]3[NH3+])CC2)c1 ZINC000420374994 296182247 /nfs/dbraw/zinc/18/22/47/296182247.db2.gz IFMCCRJPGYYYFE-JVPBZIDWSA-N 2 0 318.461 2.975 20 0 DFADRP C[C@@H]1CCC[C@@H](CC[N@@H+]2CCC[C@H](n3cc(C[NH3+])nn3)C2)C1 ZINC000420376671 296182711 /nfs/dbraw/zinc/18/27/11/296182711.db2.gz KAWVPNANADTREG-VYDXJSESSA-N 2 0 305.470 2.590 20 0 DFADRP Cc1cccc(C[N@@H+](C)CCCN2CC[NH+](C(C)C)CC2)c1 ZINC000282648155 217151011 /nfs/dbraw/zinc/15/10/11/217151011.db2.gz KYGFMFZAHDFGQT-UHFFFAOYSA-N 2 0 303.494 2.843 20 0 DFADRP Fc1ccc(Cl)c(C[N@@H+]2CC3(CC[NH2+]CC3)[C@@H]3COC[C@@H]32)c1 ZINC000420385456 296184302 /nfs/dbraw/zinc/18/43/02/296184302.db2.gz GVWREZBBSPIZBS-ZBFHGGJFSA-N 2 0 324.827 2.680 20 0 DFADRP COc1cccc([C@H](C)[NH+]2CCC([C@@H]3C[C@@H]([NH3+])CCO3)CC2)c1 ZINC000420385723 296184501 /nfs/dbraw/zinc/18/45/01/296184501.db2.gz HWPBFAIMNZYPHK-FNHZYXHNSA-N 2 0 318.461 2.975 20 0 DFADRP [NH3+][C@@H]1CCCO[C@@H]1C1CC[NH+](CCCCC2CCOCC2)CC1 ZINC000420387647 296184508 /nfs/dbraw/zinc/18/45/08/296184508.db2.gz WBZKWSKFYMUAOU-RTBURBONSA-N 2 0 324.509 2.802 20 0 DFADRP [NH3+][C@H]1CCO[C@@H](C2CC[NH+](CCCOc3ccccc3)CC2)C1 ZINC000420388069 296185078 /nfs/dbraw/zinc/18/50/78/296185078.db2.gz KULJCCXBSUFVAU-PKOBYXMFSA-N 2 0 318.461 2.674 20 0 DFADRP CC[NH+]1CCN(c2ccc(C[NH2+][C@H](C)[C@@H]3CC3(C)C)cn2)CC1 ZINC000486945075 299432821 /nfs/dbraw/zinc/43/28/21/299432821.db2.gz PYMVXMNIEGYNAT-WBVHZDCISA-N 2 0 316.493 2.748 20 0 DFADRP C[NH2+]CCC[N@H+](C)CCCc1nc(-c2ccc(C)c(F)c2)no1 ZINC000420393653 296185217 /nfs/dbraw/zinc/18/52/17/296185217.db2.gz YKFHKYWGTGGXMM-UHFFFAOYSA-N 2 0 320.412 2.658 20 0 DFADRP COc1ccc(OCCC[N@@H+]2CCCC[C@@H]2[C@H]2CC[NH2+]C2)cc1 ZINC000420393501 296185446 /nfs/dbraw/zinc/18/54/46/296185446.db2.gz JSIGIOUSQLHRIV-QFBILLFUSA-N 2 0 318.461 2.928 20 0 DFADRP C[C@@H]1C[C@@H]([NH2+]C[C@H](C(=O)OC(C)(C)C)C2CCC2)CC[N@@H+]1C ZINC000596118560 399179229 /nfs/dbraw/zinc/17/92/29/399179229.db2.gz ZXNRMHBDBYTJLE-KBMXLJTQSA-N 2 0 310.482 2.817 20 0 DFADRP Cc1cccc(OCC[NH+]2CCC([C@H]3C[C@@H]([NH3+])CCO3)CC2)c1 ZINC000420395915 296185732 /nfs/dbraw/zinc/18/57/32/296185732.db2.gz UURAAAOVKAYFEK-PKOBYXMFSA-N 2 0 318.461 2.592 20 0 DFADRP Fc1ccc([C@H]2OCC[C@@H]2[NH2+]CCC2CC[NH2+]CC2)cc1F ZINC000420412239 296187480 /nfs/dbraw/zinc/18/74/80/296187480.db2.gz SGJMVVLGIRFKOY-DLBZAZTESA-N 2 0 310.388 2.774 20 0 DFADRP C[C@H]([NH2+]CCN1CC[NH2+]CC1)c1cccc(Cl)c1Cl ZINC000420410151 296187644 /nfs/dbraw/zinc/18/76/44/296187644.db2.gz RCZBMUCTHYLHJN-NSHDSACASA-N 2 0 302.249 2.549 20 0 DFADRP Cc1cc(-c2noc(CN3CC[C@H](C)[C@@H](C[NH3+])C3)n2)ccc1F ZINC000420414630 296187776 /nfs/dbraw/zinc/18/77/76/296187776.db2.gz UOBWLWWKQFAAAI-FZMZJTMJSA-N 2 0 318.396 2.601 20 0 DFADRP C[C@@H](C[NH2+][C@@H](C)Cc1cccc(Cl)c1)CN1CC[NH+](C)CC1 ZINC000282762532 217233654 /nfs/dbraw/zinc/23/36/54/217233654.db2.gz WBQMVLZGWDNCQC-HOTGVXAUSA-N 2 0 323.912 2.744 20 0 DFADRP CC(C)[C@H](C(=O)N(C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C)[NH+]1CCCCC1 ZINC000342501610 284345964 /nfs/dbraw/zinc/34/59/64/284345964.db2.gz WFUPPGZIBYAXPF-UJJTZGENSA-N 2 0 321.509 2.581 20 0 DFADRP CC[NH+](CC)Cc1ccc(C(=O)N(C)[C@@H]2CCC[N@H+](C)C2)cc1 ZINC000266068576 205072899 /nfs/dbraw/zinc/07/28/99/205072899.db2.gz FDFQKCTVDVULDU-GOSISDBHSA-N 2 0 317.477 2.695 20 0 DFADRP CC[N@H+](CC(=O)N[C@H](C[NH+](C)C)c1ccc(Cl)cc1)C1CC1 ZINC000282785464 217249415 /nfs/dbraw/zinc/24/94/15/217249415.db2.gz FMQYYRIIGGXQTL-MRXNPFEDSA-N 2 0 323.868 2.543 20 0 DFADRP Cc1ccoc1C[NH2+]Cc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC000266249349 205214699 /nfs/dbraw/zinc/21/46/99/205214699.db2.gz ZOUMPIFZKWXYBA-UHFFFAOYSA-N 2 0 314.429 2.835 20 0 DFADRP C[N@@H+]1CCCC[C@@H]1CCC(=O)N[C@H]1CC[NH+](C2CCCCC2)C1 ZINC000622172510 399213491 /nfs/dbraw/zinc/21/34/91/399213491.db2.gz NRJKVPBFQALRNM-DLBZAZTESA-N 2 0 321.509 2.774 20 0 DFADRP O=C(N[C@@H]1CC[N@@H+](C2CC2)C1)c1ccc(Nc2cc[nH+]cc2)cc1 ZINC000081292939 399222974 /nfs/dbraw/zinc/22/29/74/399222974.db2.gz FUOLRHZRBMLYDY-QGZVFWFLSA-N 2 0 322.412 2.792 20 0 DFADRP CC[C@H]1CO[C@@H](C)C[N@@H+]1Cc1cccc(CN2CCOCC2)c1 ZINC000420909464 296210982 /nfs/dbraw/zinc/21/09/82/296210982.db2.gz YQKJEWOVLCTTLX-LPHOPBHVSA-N 2 0 318.461 2.518 20 0 DFADRP CC[N@H+](CC(=O)N1CC[NH+](C(C)(C)CC(C)(C)C)CC1)C1CC1 ZINC000622663572 399266270 /nfs/dbraw/zinc/26/62/70/399266270.db2.gz NGKYGJTYJBBCFN-UHFFFAOYSA-N 2 0 323.525 2.830 20 0 DFADRP CC[NH+]1CCC(N2CCC[N@H+](Cc3ccc(C)o3)CC2)CC1 ZINC000421368169 296249265 /nfs/dbraw/zinc/24/92/65/296249265.db2.gz GDADOVZJTHAUAO-UHFFFAOYSA-N 2 0 305.466 2.580 20 0 DFADRP C[NH+](C)C1CCC([NH2+]Cc2ccnn2-c2ccc(F)cc2)CC1 ZINC000421377337 296250328 /nfs/dbraw/zinc/25/03/28/296250328.db2.gz RHFPKAQHGRVIDA-UHFFFAOYSA-N 2 0 316.424 2.974 20 0 DFADRP C[NH+](C)C1CCC([NH2+]Cc2cnc([C@@H]3CCCO3)s2)CC1 ZINC000421376931 296250358 /nfs/dbraw/zinc/25/03/58/296250358.db2.gz SAMPXPJWSQDVJN-PIMMBPRGSA-N 2 0 309.479 2.957 20 0 DFADRP CCC[NH+](CCC)CCCC(=O)N1CCC2(C1)CC[NH+](C)CC2 ZINC000614962966 399286073 /nfs/dbraw/zinc/28/60/73/399286073.db2.gz DGDYCEURJVVKLN-UHFFFAOYSA-N 2 0 323.525 2.833 20 0 DFADRP C[NH2+]C[C@H]1CCC[N@H+](CCC(=O)Nc2cccc(Cl)c2)C1 ZINC000040600302 183107806 /nfs/dbraw/zinc/10/78/06/183107806.db2.gz FSTAYDOYWUNVPG-CYBMUJFWSA-N 2 0 309.841 2.600 20 0 DFADRP CC[C@@H]([NH2+]Cc1ccc(OCC[NH+](C)C)cc1)[C@@H]1CCOC1 ZINC000344587501 284653405 /nfs/dbraw/zinc/65/34/05/284653405.db2.gz IGPBAUHBQIUABM-SJLPKXTDSA-N 2 0 306.450 2.532 20 0 DFADRP CC[NH+](CC)C[C@@H](C)NC(=O)c1cccc(C[NH+]2CCCC2)c1 ZINC000344685294 284670363 /nfs/dbraw/zinc/67/03/63/284670363.db2.gz QNACRPOODYSCOU-MRXNPFEDSA-N 2 0 317.477 2.743 20 0 DFADRP CC[NH+]1CCN(CCCC[NH2+][C@@H](C)c2ccncc2Cl)CC1 ZINC000421819965 296276900 /nfs/dbraw/zinc/27/69/00/296276900.db2.gz JYTRUVIQGFFQKY-HNNXBMFYSA-N 2 0 324.900 2.803 20 0 DFADRP C[C@@H]([NH2+]CCCC1(O)CCC1)c1cccc(OCC[NH+](C)C)c1 ZINC000421855511 296278068 /nfs/dbraw/zinc/27/80/68/296278068.db2.gz MEVSNAGSKUVWHJ-MRXNPFEDSA-N 2 0 320.477 2.973 20 0 DFADRP Cn1nccc1[C@H]1CCC[C@@H]([NH2+]C2CCC([NH+](C)C)CC2)C1 ZINC000421879614 296278363 /nfs/dbraw/zinc/27/83/63/296278363.db2.gz PCDPPWRFORUDFA-ORBLRFAASA-N 2 0 304.482 2.909 20 0 DFADRP C[C@@H]([NH2+]C1CCC([NH+](C)C)CC1)c1ccccc1-n1ccnn1 ZINC000421891272 296278959 /nfs/dbraw/zinc/27/89/59/296278959.db2.gz YQINILRDRPXTMV-QQFBHYJXSA-N 2 0 313.449 2.791 20 0 DFADRP C[N@H+](CCCNC(=O)c1ccc2c[nH+]cn2c1)C1CCCCC1 ZINC000284430848 218024021 /nfs/dbraw/zinc/02/40/21/218024021.db2.gz GHHQNWKSTAFQJU-UHFFFAOYSA-N 2 0 314.433 2.719 20 0 DFADRP CO[C@@H](C)[C@@H](C)[NH2+]Cc1ccc(OC2CC[NH+](C)CC2)cc1 ZINC000284510682 218059147 /nfs/dbraw/zinc/05/91/47/218059147.db2.gz YJFOWWAUCDFKOH-CABCVRRESA-N 2 0 306.450 2.673 20 0 DFADRP Cc1cccc(C[N@H+]2CC[C@H](N3CC[NH+](C(C)C)CC3)C2)c1 ZINC000610250333 399350829 /nfs/dbraw/zinc/35/08/29/399350829.db2.gz TVYGKXNRICPROS-IBGZPJMESA-N 2 0 301.478 2.595 20 0 DFADRP CC[NH+](CC)Cc1cccc(C[NH2+][C@@H](C)C(=O)NC(C)(C)C)c1 ZINC000079307424 284737085 /nfs/dbraw/zinc/73/70/85/284737085.db2.gz KBXAZEURGOVIHH-HNNXBMFYSA-N 2 0 319.493 2.921 20 0 DFADRP C[N@@H+]1CC[C@H](NCCC[NH+]2CCc3ccccc3C2)CC1(C)C ZINC000623347530 399368057 /nfs/dbraw/zinc/36/80/57/399368057.db2.gz CUQXRAQBNWSCPJ-IBGZPJMESA-N 3 0 315.505 2.897 20 0 DFADRP C[C@H](O)C[NH+]1CCC(C[N@H+](C)CCCc2ccccc2)CC1 ZINC000105862447 194150443 /nfs/dbraw/zinc/15/04/43/194150443.db2.gz FPVVACUJQQFSLX-KRWDZBQOSA-N 2 0 304.478 2.644 20 0 DFADRP Fc1ccc(F)c(C[NH2+]CCCC[NH+]2CCOCC2)c1Cl ZINC000623358683 399371856 /nfs/dbraw/zinc/37/18/56/399371856.db2.gz NMAAVXASYPJSDT-UHFFFAOYSA-N 2 0 318.795 2.820 20 0 DFADRP C[NH+](C)[C@@H](CN[C@@H]1CC[N@H+](C)C(C)(C)C1)c1ccc(F)cc1 ZINC000623363188 399372573 /nfs/dbraw/zinc/37/25/73/399372573.db2.gz FBEAKYVIFVHKHT-SJORKVTESA-N 2 0 307.457 2.891 20 0 DFADRP CC(C)[N@@H+]1CC[C@@H](CNCc2ccc(F)c(F)c2N(C)C)C1 ZINC000623384133 399377042 /nfs/dbraw/zinc/37/70/42/399377042.db2.gz PWOPMXLURGXVOO-ZDUSSCGKSA-N 2 0 311.420 2.851 20 0 DFADRP CC[C@H](O)C[N@H+](C)CC1(C)CC[NH+](Cc2ccccc2)CC1 ZINC000106386272 194204459 /nfs/dbraw/zinc/20/44/59/194204459.db2.gz KLARUNUFYCSXSO-SFHVURJKSA-N 2 0 304.478 2.991 20 0 DFADRP CC[NH+](CC)[C@@H](CNC(=O)[C@@H](C(C)C)[NH+](C)C)c1ccccc1 ZINC000106429002 194212875 /nfs/dbraw/zinc/21/28/75/194212875.db2.gz GUVWJGJUHGYDKX-ZWKOTPCHSA-N 2 0 319.493 2.772 20 0 DFADRP COC(=O)CCC[C@@H]1CCC[C@@H]([NH2+][C@H]2CC[C@H](C[NH3+])CC2)C1 ZINC000602021507 399386230 /nfs/dbraw/zinc/38/62/30/399386230.db2.gz PBIKOUKIOIRURV-LUKYLMHMSA-N 2 0 310.482 2.996 20 0 DFADRP C[C@@H]1C[N@@H+](CCCC[NH2+]Cc2cccc3n[nH]cc32)C[C@H](C)O1 ZINC000623425312 399386717 /nfs/dbraw/zinc/38/67/17/399386717.db2.gz XWIIMHAJRQTTEE-GASCZTMLSA-N 2 0 316.449 2.542 20 0 DFADRP C[C@@H]1C[NH+](CCCC[NH2+]Cc2ccncc2Cl)C[C@@H](C)O1 ZINC000623424983 399386758 /nfs/dbraw/zinc/38/67/58/399386758.db2.gz MYAWHKVJPBTZQK-ZIAGYGMSSA-N 2 0 311.857 2.714 20 0 DFADRP COC(=O)C[C@@H]1CC[C@H]([NH2+]CC[C@@H]([NH3+])Cc2ccccc2)[C@H]1C ZINC000602024058 399386765 /nfs/dbraw/zinc/38/67/65/399386765.db2.gz ZOXRSODMAORCMU-OWLYRPNTSA-N 2 0 318.461 2.514 20 0 DFADRP CC(C)[C@@H](C(=O)NCC(C)(C)[NH2+][C@@H](C)c1ccccc1)[NH+](C)C ZINC000109627278 194279122 /nfs/dbraw/zinc/27/91/22/194279122.db2.gz APAZRCAEGXDICS-RDJZCZTQSA-N 2 0 319.493 2.818 20 0 DFADRP CCOCCOCc1cccc(C[NH2+][C@H]2CC[N@H+](C)[C@@H](C)C2)c1 ZINC000268846058 207011890 /nfs/dbraw/zinc/01/18/90/207011890.db2.gz VMDNQFGAJQVEQA-LPHOPBHVSA-N 2 0 320.477 2.812 20 0 DFADRP CC[C@@H](CCO)C[NH2+][C@@H](C)c1cccc(OCC[NH+](C)C)c1 ZINC000268898158 207066023 /nfs/dbraw/zinc/06/60/23/207066023.db2.gz BBYQWMDZCYEUFM-HOTGVXAUSA-N 2 0 308.466 2.686 20 0 DFADRP C[C@@H]1C[C@@H](C)[N@H+](CCC(=O)Nc2ccc(Cl)cc2)C[C@H]1C[NH3+] ZINC000422625043 296316526 /nfs/dbraw/zinc/31/65/26/296316526.db2.gz AKGJGJGMTNNTLF-MGPQQGTHSA-N 2 0 323.868 2.974 20 0 DFADRP CCOc1cc(C[NH2+][C@H](C)[C@H]2CC[NH2+]C2)ccc1OC(F)F ZINC000422698391 296318192 /nfs/dbraw/zinc/31/81/92/296318192.db2.gz ZDCNLGSCMLLFEA-YPMHNXCESA-N 2 0 314.376 2.774 20 0 DFADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]CCCCNc1ccccn1 ZINC000422701770 296318533 /nfs/dbraw/zinc/31/85/33/296318533.db2.gz JFPUTRGRUJSALV-AWEZNQCLSA-N 2 0 313.449 2.787 20 0 DFADRP C[N@@H+]1CC[C@H](NC[C@H]2CC[NH+](Cc3ccccc3)C2)CC1(C)C ZINC000623511072 399405239 /nfs/dbraw/zinc/40/52/39/399405239.db2.gz YZUYLXQFQJOIPC-MOPGFXCFSA-N 3 0 315.505 2.971 20 0 DFADRP C[C@H](C[NH2+][C@@H]1CCCCC[C@H]1[NH3+])N1CCc2sccc2C1 ZINC000422707588 296319215 /nfs/dbraw/zinc/31/92/15/296319215.db2.gz AMYNXHBRSBOMAF-FVQBIDKESA-N 2 0 307.507 2.744 20 0 DFADRP CCOC(=O)C1([C@H](C)[NH2+]C2[C@H](C)CCC[C@H]2C)CC[NH2+]CC1 ZINC000422706382 296319400 /nfs/dbraw/zinc/31/94/00/296319400.db2.gz UHTAVLAQJADSBS-KFWWJZLASA-N 2 0 310.482 2.722 20 0 DFADRP C[C@@H](CCCC[NH3+])[NH2+]C[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000422712950 296320155 /nfs/dbraw/zinc/32/01/55/296320155.db2.gz JCMULQLAKCVPQK-PKOBYXMFSA-N 3 0 303.494 2.658 20 0 DFADRP CCOC(=O)C1([C@@H](C)[NH2+][C@@H](C)c2ccc(C)cc2)CC[NH2+]CC1 ZINC000422711368 296320163 /nfs/dbraw/zinc/32/01/63/296320163.db2.gz FVQAXRZZCFBKBQ-JKSUJKDBSA-N 2 0 318.461 2.967 20 0 DFADRP [NH3+][C@@H]1CCCCC[C@@H]1NC[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000422712320 296320364 /nfs/dbraw/zinc/32/03/64/296320364.db2.gz IISOJWCEBFWJGC-AQNXPRMDSA-N 2 0 315.505 2.801 20 0 DFADRP COc1ccc(CC[NH2+][C@H](Cc2ccccc2)[C@@H](C)[NH3+])cc1F ZINC000422714607 296320440 /nfs/dbraw/zinc/32/04/40/296320440.db2.gz RDVJSSWZNNMOKF-RDTXWAMCSA-N 2 0 316.420 2.925 20 0 DFADRP CC(C)(C[NH2+][C@H]1CCC[C@H]1C[NH3+])N1CCc2ccccc2C1 ZINC000422709965 296319830 /nfs/dbraw/zinc/31/98/30/296319830.db2.gz ZZWWFQKFKNOPRR-WMZOPIPTSA-N 2 0 301.478 2.540 20 0 DFADRP CCCC[N@H+](C)CCN[C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422709632 296319897 /nfs/dbraw/zinc/31/98/97/296319897.db2.gz KXPJNCXIZFLZNL-PKOBYXMFSA-N 2 0 317.477 2.564 20 0 DFADRP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]C[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000422714547 296320662 /nfs/dbraw/zinc/32/06/62/296320662.db2.gz LAGVXNPJZTUUBA-SLFFLAALSA-N 3 0 315.505 2.658 20 0 DFADRP C[NH+](C)CCOc1ccc(C[NH2+][C@@H]2CCOC3(CCC3)C2)cc1 ZINC000268962757 207126809 /nfs/dbraw/zinc/12/68/09/207126809.db2.gz JLODVSKFWRVKHW-QGZVFWFLSA-N 2 0 318.461 2.818 20 0 DFADRP C[C@H](C[NH2+]C1CCC(C[NH3+])CC1)N1CCc2sccc2C1 ZINC000422722059 296321795 /nfs/dbraw/zinc/32/17/95/296321795.db2.gz WXARNBXMJPXCAU-VQCLRJIVSA-N 2 0 307.507 2.602 20 0 DFADRP Cc1[nH]c2ccc(C[NH2+][C@@H]3CCOC[C@@H]3[C@H](C)[NH3+])cc2c1C ZINC000422721808 296321809 /nfs/dbraw/zinc/32/18/09/296321809.db2.gz OIXZHEMROUWYJD-JCURWCKSSA-N 2 0 301.434 2.627 20 0 DFADRP COCCN(C)CC[C@@H]([NH2+]C1CCC([NH3+])CC1)c1ccccc1 ZINC000422720079 296321431 /nfs/dbraw/zinc/32/14/31/296321431.db2.gz SBKJOMFADNBDAV-CTWPCTMYSA-N 2 0 319.493 2.556 20 0 DFADRP Cn1cc(C[C@@H]2CCC[C@H]2[NH2+][C@H]2CC[N@H+](C)C(C)(C)C2)cn1 ZINC000623570430 399419024 /nfs/dbraw/zinc/41/90/24/399419024.db2.gz RIKBQWKWHYCDGE-YESZJQIVSA-N 2 0 304.482 2.594 20 0 DFADRP CC[C@H](NC[C@H](c1cccc(OC)c1)[NH+](C)C)[C@@H]1CCCC[NH2+]1 ZINC000422726543 296322112 /nfs/dbraw/zinc/32/21/12/296322112.db2.gz FELHXVTZYTWYHP-GBESFXJTSA-N 2 0 319.493 2.808 20 0 DFADRP C[C@@H]([NH2+]C1CCN(Cc2ccc(F)c(F)c2)CC1)[C@@H]1CCC[NH2+]1 ZINC000422725296 296322125 /nfs/dbraw/zinc/32/21/25/296322125.db2.gz XULNZFAWVTXPPC-ACJLOTCBSA-N 2 0 323.431 2.659 20 0 DFADRP [NH3+][C@H]1CCCCC[C@H]1NC1CC[NH+](Cc2ccccc2)CC1 ZINC000422726150 296322198 /nfs/dbraw/zinc/32/21/98/296322198.db2.gz DGHHXZPXSVTBHB-RBUKOAKNSA-N 2 0 301.478 2.901 20 0 DFADRP C[N@@H+]1C[C@@H](CN[C@H]2CC[NH+](C)C(C)(C)C2)[C@H](c2ccccc2)C1 ZINC000623557585 399415937 /nfs/dbraw/zinc/41/59/37/399415937.db2.gz BFURHOLEIOMOJK-QYZOEREBSA-N 2 0 315.505 2.794 20 0 DFADRP Cc1cccc(C(=O)NCC[NH2+][C@@H](C)C[C@H]2CCCCC[NH2+]2)c1 ZINC000422729283 296322840 /nfs/dbraw/zinc/32/28/40/296322840.db2.gz HQSNVIKOEZQTEE-FUHWJXTLSA-N 2 0 317.477 2.625 20 0 DFADRP O[C@@H]1CCC[C@H]1[NH+]1CCC([NH2+]Cc2cccc3[nH]ccc32)CC1 ZINC000268988917 207147755 /nfs/dbraw/zinc/14/77/55/207147755.db2.gz UWJVNLSEZFMZTH-RTBURBONSA-N 2 0 313.445 2.635 20 0 DFADRP C[C@H](CC[NH+](C)C)[NH2+][C@H](C)c1ccc(NC(=O)NC2CC2)cc1 ZINC000269012534 207165487 /nfs/dbraw/zinc/16/54/87/207165487.db2.gz NUPZSRDYVCZUDR-ZIAGYGMSSA-N 2 0 318.465 2.961 20 0 DFADRP CC[NH+](CC)CC(=O)Nc1ccc(CC[NH+]2CCCC2)cc1 ZINC000058835938 184129176 /nfs/dbraw/zinc/12/91/76/184129176.db2.gz HBBNNRUMXFGISG-UHFFFAOYSA-N 2 0 303.450 2.605 20 0 DFADRP Cn1nccc1-c1ccccc1C[NH2+]C[C@H]1CCCC[N@H+](C)C1 ZINC000623657600 399436457 /nfs/dbraw/zinc/43/64/57/399436457.db2.gz VDXLMUPLNJVCCJ-MRXNPFEDSA-N 2 0 312.461 2.909 20 0 DFADRP C[C@@H]1CN(Cc2ccccc2)CC[C@H]1[NH2+]CCCC[NH+](C)C ZINC000269051816 207199444 /nfs/dbraw/zinc/19/94/44/207199444.db2.gz VWVGRGFMGWWZPX-IEBWSBKVSA-N 2 0 303.494 2.828 20 0 DFADRP Cn1cc(C[NH2+]C[C@H]2CCCC[N@H+](C)C2)c(-c2cccs2)n1 ZINC000623657731 399438157 /nfs/dbraw/zinc/43/81/57/399438157.db2.gz XQDBKTVQOVXMNV-CQSZACIVSA-N 2 0 318.490 2.970 20 0 DFADRP COc1ccc(C[NH+]2CCC(C[NH3+])CC2)cc1OCC(C)C ZINC000346683076 284925218 /nfs/dbraw/zinc/92/52/18/284925218.db2.gz FOHHSUUIDROETN-UHFFFAOYSA-N 2 0 306.450 2.901 20 0 DFADRP C[C@@H](c1ccccc1)N1CC[C@H]([NH2+][C@H]2CC[NH2+]CC[C@H]2C)C1 ZINC000422738368 296323969 /nfs/dbraw/zinc/32/39/69/296323969.db2.gz JOUZQFDAHHQXDH-NEPXVJNWSA-N 2 0 301.478 2.800 20 0 DFADRP C[C@@H](NC[C@@H](c1ccccc1)[NH+]1CCCC1)[C@@H]1CCCC[NH2+]1 ZINC000422737584 296324078 /nfs/dbraw/zinc/32/40/78/296324078.db2.gz ZXKTZIGTATWQIH-NEWSRXKRSA-N 2 0 301.478 2.944 20 0 DFADRP Cc1ncc(C[NH2+][C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)s1 ZINC000422740410 296324498 /nfs/dbraw/zinc/32/44/98/296324498.db2.gz MSYIIKLMHRUCQT-WBVHZDCISA-N 2 0 315.442 2.797 20 0 DFADRP CC[C@@H](NCc1ccc(F)c(C[NH+](C)C)c1)[C@@H]1CCCC[NH2+]1 ZINC000422742450 296324932 /nfs/dbraw/zinc/32/49/32/296324932.db2.gz GPNPCLMZNHAOEE-MSOLQXFVSA-N 2 0 307.457 2.898 20 0 DFADRP CC(C)COc1ccccc1C[NH2+][C@@H]1CCOC[C@H]1[C@@H](C)[NH3+] ZINC000422744153 296325074 /nfs/dbraw/zinc/32/50/74/296325074.db2.gz VOSZEAKXKUCFCD-HYVNUMGLSA-N 2 0 306.450 2.563 20 0 DFADRP c1cc2c(s1)CCN(CC[NH2+][C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1)C2 ZINC000422744865 296325193 /nfs/dbraw/zinc/32/51/93/296325193.db2.gz WRYKPXXAZVSNRH-BRWVUGGUSA-N 2 0 319.518 2.617 20 0 DFADRP Cc1ncc(C[NH2+][C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)s1 ZINC000422740408 296324521 /nfs/dbraw/zinc/32/45/21/296324521.db2.gz MSYIIKLMHRUCQT-NVXWUHKLSA-N 2 0 315.442 2.797 20 0 DFADRP OCc1cccc(C[NH2+][C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)c1 ZINC000422743148 296324842 /nfs/dbraw/zinc/32/48/42/296324842.db2.gz QZAFIRPKIVHYQR-QUCCMNQESA-N 2 0 324.424 2.524 20 0 DFADRP CC[C@H](NC[C@@H]1CCC[N@@H+]1Cc1ccccc1)[C@@H]1CCC[NH2+]1 ZINC000422747148 296325650 /nfs/dbraw/zinc/32/56/50/296325650.db2.gz YAUIVVAGUWOURO-FHWLQOOXSA-N 2 0 301.478 2.771 20 0 DFADRP CCc1ccc(CC[NH2+][C@@H]2CCOC[C@H]2[C@@H]2CCC[NH2+]2)cc1 ZINC000422750372 296326077 /nfs/dbraw/zinc/32/60/77/296326077.db2.gz CZCZAOSLWDBINA-GBESFXJTSA-N 2 0 302.462 2.538 20 0 DFADRP CCOC(=O)C1([C@H](C)[NH2+]C[C@@H]2CCC[C@H](C)C2)CC[NH2+]CC1 ZINC000422750922 296326114 /nfs/dbraw/zinc/32/61/14/296326114.db2.gz AQHXCNSEQVFCIW-HRCADAONSA-N 2 0 310.482 2.724 20 0 DFADRP c1ccc(SCCC[NH2+][C@@H]2CCOC[C@H]2[C@H]2CCC[NH2+]2)cc1 ZINC000422750396 296326250 /nfs/dbraw/zinc/32/62/50/296326250.db2.gz DATQBZOXVYZIES-RCCFBDPRSA-N 2 0 320.502 2.916 20 0 DFADRP COc1ccccc1[C@H](C[NH2+][C@@H](C)CCC[NH3+])N1CCCC1 ZINC000422749109 296326271 /nfs/dbraw/zinc/32/62/71/296326271.db2.gz XPFVOUJPHXVGHM-RDJZCZTQSA-N 2 0 305.466 2.549 20 0 DFADRP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1[NH2+]Cc1cccc(C(F)(F)F)c1 ZINC000422751761 296326454 /nfs/dbraw/zinc/32/64/54/296326454.db2.gz CWRLEDOUXGMOSO-BPNCWPANSA-N 2 0 302.340 2.547 20 0 DFADRP C[C@@H](CCC[NH3+])[NH2+][C@@H]1CCN(c2ccccc2OC(F)F)C1 ZINC000422754470 296327308 /nfs/dbraw/zinc/32/73/08/296327308.db2.gz FXNXPLPZBDFLQW-QWHCGFSZSA-N 2 0 313.392 2.584 20 0 DFADRP Cc1cc(F)ccc1N1CCC[C@H]([NH2+][C@H]2CCC[C@H]2C[NH3+])C1 ZINC000422755253 296327321 /nfs/dbraw/zinc/32/73/21/296327321.db2.gz GMTAPDUGUVQCBE-XIRDDKMYSA-N 2 0 305.441 2.820 20 0 DFADRP CC[NH+]1CCC(N[C@H](c2ccc(OC)cc2)[C@H]2CCC[NH2+]2)CC1 ZINC000422754240 296327443 /nfs/dbraw/zinc/32/74/43/296327443.db2.gz AIPLMNXPECJOSC-RTBURBONSA-N 2 0 317.477 2.562 20 0 DFADRP C[C@H]([NH3+])[C@H]1COCC[C@@H]1[NH2+]CCCSc1ccc(F)cc1 ZINC000422759736 296328223 /nfs/dbraw/zinc/32/82/23/296328223.db2.gz LGJWPLYDWFEUQJ-MAZHCROVSA-N 2 0 312.454 2.650 20 0 DFADRP C[C@@H]([NH2+]CC1(c2ccc(F)cc2)CCOCC1)[C@H]1CCCC[NH2+]1 ZINC000422756774 296327747 /nfs/dbraw/zinc/32/77/47/296327747.db2.gz IADQEGQTAXTFDE-CRAIPNDOSA-N 2 0 320.452 2.994 20 0 DFADRP Clc1cccc(CC[NH2+][C@@H]2CCOC[C@H]2[C@H]2CCC[NH2+]2)c1 ZINC000422763298 296328986 /nfs/dbraw/zinc/32/89/86/296328986.db2.gz NDWGGLYIIGNCLX-GVDBMIGSSA-N 2 0 308.853 2.629 20 0 DFADRP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]CCN1c2ccccc2C[C@H]1C ZINC000422760373 296328437 /nfs/dbraw/zinc/32/84/37/296328437.db2.gz KYTIDIXFAVNLKM-UWVAXJGDSA-N 2 0 323.484 2.986 20 0 DFADRP COc1ccc([C@@H](CN[C@@H]2CCC[NH2+]CC2)[NH+]2CCCC2)cc1 ZINC000422760594 296328506 /nfs/dbraw/zinc/32/85/06/296328506.db2.gz QILPCFNZKBMEMK-IEBWSBKVSA-N 2 0 317.477 2.564 20 0 DFADRP COc1ccc(OC)c(CC[NH2+][C@@H]2C[C@H]([NH3+])c3ccccc32)c1 ZINC000422761097 296328565 /nfs/dbraw/zinc/32/85/65/296328565.db2.gz MMJJOHNAOKJDOQ-ZWKOTPCHSA-N 2 0 312.413 2.981 20 0 DFADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]CCn1cnc2ccccc21 ZINC000422765312 296329404 /nfs/dbraw/zinc/32/94/04/296329404.db2.gz QTNQUWJPEQVMTK-ZDUSSCGKSA-N 2 0 309.417 2.549 20 0 DFADRP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1[NH2+]CC1(c2cccc(Cl)c2)CC1 ZINC000422767948 296329551 /nfs/dbraw/zinc/32/95/51/296329551.db2.gz NJNFYQCBJAEGCP-RCBQFDQVSA-N 2 0 308.853 2.714 20 0 DFADRP Fc1cc(Br)ccc1CCC[NH2+]C1CC[NH2+]CC1 ZINC000422767071 296329571 /nfs/dbraw/zinc/32/95/71/296329571.db2.gz SFUKKPAHRRMSDV-UHFFFAOYSA-N 2 0 315.230 2.862 20 0 DFADRP CC(C)(C)C[C@H](O)C[NH2+][C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422767053 296329630 /nfs/dbraw/zinc/32/96/30/296329630.db2.gz SDTWHBUCESZYIV-QOKNQOGYSA-N 2 0 318.461 2.629 20 0 DFADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CCCN(c2cccc(F)c2)C1 ZINC000422770815 296330381 /nfs/dbraw/zinc/33/03/81/296330381.db2.gz XHUHAEGOKBSHHL-ZVZYQTTQSA-N 2 0 305.441 2.902 20 0 DFADRP COc1cccc(N2CCC[C@H]([NH2+][C@@H]3CCCC[C@@H]3C[NH3+])C2)c1 ZINC000422770774 296330386 /nfs/dbraw/zinc/33/03/86/296330386.db2.gz XFWHBVFVGNLYHZ-JTDSTZFVSA-N 2 0 317.477 2.771 20 0 DFADRP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+][C@@H]1CCCN(c2cccc(F)c2)C1 ZINC000422770814 296330401 /nfs/dbraw/zinc/33/04/01/296330401.db2.gz XHUHAEGOKBSHHL-YXJHDRRASA-N 2 0 305.441 2.902 20 0 DFADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]C[C@H](c1ccccc1Cl)N(C)C ZINC000422769152 296329881 /nfs/dbraw/zinc/32/98/81/296329881.db2.gz UQSJKTYIOYMQAH-KBRIMQKVSA-N 2 0 309.885 2.920 20 0 DFADRP COc1ccc([C@H](C)CC[NH2+][C@@H]2CCOC[C@H]2[C@@H](C)[NH3+])cc1 ZINC000422776076 296331031 /nfs/dbraw/zinc/33/10/31/296331031.db2.gz CCANNDZMOVBZGV-KJWYOANISA-N 2 0 306.450 2.531 20 0 DFADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]Cc1ccccc1-n1cccn1 ZINC000422775694 296331068 /nfs/dbraw/zinc/33/10/68/296331068.db2.gz BHDVGLALDBLXBR-AWEZNQCLSA-N 2 0 321.428 2.885 20 0 DFADRP C[C@H]([NH2+]CCc1ccc(OCC[NH+](C)C)cc1)[C@@H]1CCCCO1 ZINC000623888954 399487646 /nfs/dbraw/zinc/48/76/46/399487646.db2.gz ZTCOTPZPAIJXNB-LPHOPBHVSA-N 2 0 320.477 2.717 20 0 DFADRP CC(C)CCOCC[NH2+][C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422779817 296331686 /nfs/dbraw/zinc/33/16/86/296331686.db2.gz JFNIBRONXHBEEH-MJGOQNOKSA-N 2 0 318.461 2.895 20 0 DFADRP CC(C)CCOCC[NH2+][C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422779818 296331714 /nfs/dbraw/zinc/33/17/14/296331714.db2.gz JFNIBRONXHBEEH-PKOBYXMFSA-N 2 0 318.461 2.895 20 0 DFADRP CCOc1cc2c(cc1C[NH2+][C@@H]1CCC[C@H]1C[NH3+])O[C@@H](C)C2 ZINC000422778027 296331730 /nfs/dbraw/zinc/33/17/30/296331730.db2.gz GWRCEGGIEPSLAP-HEHGZKQESA-N 2 0 304.434 2.626 20 0 DFADRP COc1ccc([C@@H](NCCC[NH+]2CCCC2)[C@H]2CCC[NH2+]2)cc1 ZINC000422788796 296332976 /nfs/dbraw/zinc/33/29/76/296332976.db2.gz RNGSCCKTYRNYNL-RTBURBONSA-N 2 0 317.477 2.564 20 0 DFADRP COc1ccc([C@H](NCCC[NH+]2CCCC2)[C@H]2CCC[NH2+]2)cc1 ZINC000422788793 296333010 /nfs/dbraw/zinc/33/30/10/296333010.db2.gz RNGSCCKTYRNYNL-MOPGFXCFSA-N 2 0 317.477 2.564 20 0 DFADRP CCCCOCC[NH2+][C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422789828 296333110 /nfs/dbraw/zinc/33/31/10/296333110.db2.gz WZLAWSDYQBUNEQ-SJLPKXTDSA-N 2 0 304.434 2.649 20 0 DFADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+][C@@H](CN(C)C)c1ccccc1 ZINC000422790131 296333342 /nfs/dbraw/zinc/33/33/42/296333342.db2.gz PBAFUZIIVPXNTJ-BEFAXECRSA-N 2 0 312.461 2.802 20 0 DFADRP CC(C)COCCC[NH2+][C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422792303 296333646 /nfs/dbraw/zinc/33/36/46/296333646.db2.gz WCZVUWJOWWNHPW-MJGOQNOKSA-N 2 0 318.461 2.895 20 0 DFADRP Cc1c([C@H](C)[NH2+][C@H](C)[C@H]2CC[NH2+]C2)cnn1-c1ccc(F)cc1 ZINC000422793757 296333992 /nfs/dbraw/zinc/33/39/92/296333992.db2.gz YGBNKTNCKXLEPT-IPYPFGDCSA-N 2 0 316.424 2.968 20 0 DFADRP Cc1ccccc1O[C@H](C)C[NH2+][C@@H]1CCOC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000422796790 296334584 /nfs/dbraw/zinc/33/45/84/296334584.db2.gz ZBDWYFGZUMUACT-BRSBDYLESA-N 2 0 318.461 2.509 20 0 DFADRP CCOC(=O)C1([C@H](C)[NH2+][C@@H]2CC[C@H]3CCC[C@H]3C2)CC[NH2+]CC1 ZINC000422796002 296334599 /nfs/dbraw/zinc/33/45/99/296334599.db2.gz XHOKAJQLAHHLJR-VVLHAWIVSA-N 2 0 322.493 2.866 20 0 DFADRP CC(C)C(=O)Nc1ccc(C[NH2+]C2CCC(C[NH3+])CC2)cc1 ZINC000422798228 296334701 /nfs/dbraw/zinc/33/47/01/296334701.db2.gz QEHRBKFPFOWEDZ-UHFFFAOYSA-N 2 0 303.450 2.888 20 0 DFADRP c1ccc(C[NH+]2CCCCC2)c(C[NH2+][C@@H]2CCC[NH2+]CC2)c1 ZINC000422796878 296334756 /nfs/dbraw/zinc/33/47/56/296334756.db2.gz ZIFLHHNKNGOUSW-LJQANCHMSA-N 3 0 301.478 2.904 20 0 DFADRP CSCC[C@@H]([NH2+][C@@H](C)CCCC[NH3+])c1nnc2ccccn21 ZINC000422794496 296334143 /nfs/dbraw/zinc/33/41/43/296334143.db2.gz GUCRIKLXRHITHV-UONOGXRCSA-N 2 0 321.494 2.631 20 0 DFADRP C[C@H]1CC[NH2+]C[C@@H]1NCc1ccccc1C[NH+]1CCCCC1 ZINC000422793811 296334166 /nfs/dbraw/zinc/33/41/66/296334166.db2.gz SWEMCLDXIGZLIZ-LPHOPBHVSA-N 2 0 301.478 2.760 20 0 DFADRP C[C@H](C[NH2+][C@H]1CCC[C@H]1[NH3+])Oc1ccc(Br)cc1 ZINC000422794477 296334176 /nfs/dbraw/zinc/33/41/76/296334176.db2.gz GTFSZPWEEJPQNJ-HONMWMINSA-N 2 0 313.239 2.686 20 0 DFADRP CC[C@H](CN[C@@H](C)[C@H]1CCC[NH2+]1)[N@@H+]1CCc2ccccc2C1 ZINC000422801467 296335513 /nfs/dbraw/zinc/33/55/13/296335513.db2.gz BZKJSABIYSSHRS-KFKAGJAMSA-N 2 0 301.478 2.553 20 0 DFADRP [NH3+][C@@H]1CCC[C@H]1[NH2+]CC1(c2ccc3c(c2)OCCO3)CCCC1 ZINC000422800032 296335254 /nfs/dbraw/zinc/33/52/54/296335254.db2.gz ZDZREKCNCJTOCU-HZPDHXFCSA-N 2 0 316.445 2.739 20 0 DFADRP COC[C@H](CCC[NH3+])[NH2+][C@@H](C)c1ccc(OC(F)(F)F)cc1 ZINC000422803996 296335930 /nfs/dbraw/zinc/33/59/30/296335930.db2.gz GSULPICFHDMUSF-AAEUAGOBSA-N 2 0 320.355 2.990 20 0 DFADRP [NH3+][C@@H]1CC[C@@H](C(=O)Nc2ccc(CC[NH+]3CCCCC3)cc2)C1 ZINC000269256371 207397899 /nfs/dbraw/zinc/39/78/99/207397899.db2.gz SGMODTNZILBTPT-IAGOWNOFSA-N 2 0 315.461 2.781 20 0 DFADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]CCN1CCc2ccccc2C1 ZINC000422804734 296336165 /nfs/dbraw/zinc/33/61/65/296336165.db2.gz LAUINVMCAFKGPC-HNNXBMFYSA-N 2 0 324.472 2.558 20 0 DFADRP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]CCCN1CCc2ccccc21 ZINC000422806558 296336765 /nfs/dbraw/zinc/33/67/65/296336765.db2.gz NPXJJGFSMNPJNO-PXNSSMCTSA-N 2 0 323.484 2.987 20 0 DFADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]Cc1cc(N(C)C)nc2ccccc12 ZINC000422807330 296336604 /nfs/dbraw/zinc/33/66/04/296336604.db2.gz MHJWQFNBFZKMLZ-RHSMWYFYSA-N 2 0 312.461 2.779 20 0 DFADRP CC(C)[NH+]1CCN(C2CC[NH+](CC3CC(C)(C)C3)CC2)CC1 ZINC000625276252 399505196 /nfs/dbraw/zinc/50/51/96/399505196.db2.gz MILFFQPZFAGXPT-UHFFFAOYSA-N 2 0 307.526 2.913 20 0 DFADRP CC[C@H](C[NH2+][C@@H]1CCCC[C@H]1C[NH3+])N1CCc2ccccc2C1 ZINC000422812576 296337484 /nfs/dbraw/zinc/33/74/84/296337484.db2.gz WOVUDKOBNYWXLM-DFQSSKMNSA-N 2 0 315.505 2.930 20 0 DFADRP CC(C)(C[NH2+][C@@H]1CCCCC[C@@H]1[NH3+])c1ccc2c(c1)OCCO2 ZINC000422819823 296338981 /nfs/dbraw/zinc/33/89/81/296338981.db2.gz IYTPTQNYVMTXKK-JKSUJKDBSA-N 2 0 318.461 2.985 20 0 DFADRP FC(F)(F)[C@@H]1CCC[C@H]([NH2+][C@@H]2CCOC[C@H]2[C@H]2CCC[NH2+]2)C1 ZINC000422821719 296339276 /nfs/dbraw/zinc/33/92/76/296339276.db2.gz YAKYKTXQMJMELB-GZBLMMOJSA-N 2 0 320.399 2.854 20 0 DFADRP Cc1ccc([C@H](C[NH2+]C2CCC([NH3+])CC2)N2CCCC2)cc1 ZINC000422826403 296340142 /nfs/dbraw/zinc/34/01/42/296340142.db2.gz LHVLFCOSXXCXRU-ACBHZAAOSA-N 2 0 301.478 2.991 20 0 DFADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+][C@@H]1CCCN(Cc2ccccc2)C1 ZINC000422830471 296340975 /nfs/dbraw/zinc/34/09/75/296340975.db2.gz IGHJSQKYEALYDC-BHIYHBOVSA-N 2 0 301.478 2.629 20 0 DFADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+][C@H]1CCCN(Cc2ccccc2)C1 ZINC000422830472 296341005 /nfs/dbraw/zinc/34/10/05/296341005.db2.gz IGHJSQKYEALYDC-NEWSRXKRSA-N 2 0 301.478 2.629 20 0 DFADRP CC[NH+](CC)[C@H](CN[C@@H]1C[NH2+]CC[C@@H]1C)Cc1ccccc1 ZINC000422829494 296340576 /nfs/dbraw/zinc/34/05/76/296340576.db2.gz HPBRERQHLPYHJT-YTQUADARSA-N 2 0 303.494 2.527 20 0 DFADRP CC[C@@H](c1ccc(Cl)cc1)[N@@H+]1CC[C@H](n2cc(C[NH3+])nn2)C1 ZINC000631846260 399508398 /nfs/dbraw/zinc/50/83/98/399508398.db2.gz XDALDECUCXIOJU-HOTGVXAUSA-N 2 0 319.840 2.788 20 0 DFADRP CC(C)(C[NH2+][C@@H]1CCOC[C@@H]1[C@@H]1CCC[NH2+]1)c1ccccc1 ZINC000422833733 296341450 /nfs/dbraw/zinc/34/14/50/296341450.db2.gz MUVUISYXLVYQJV-FGTMMUONSA-N 2 0 302.462 2.711 20 0 DFADRP C[C@H]([NH2+]CC1(c2ccccc2)CCOCC1)[C@H]1CCCC[NH2+]1 ZINC000422843692 296343325 /nfs/dbraw/zinc/34/33/25/296343325.db2.gz JFDLRBBHKSEDDF-FUHWJXTLSA-N 2 0 302.462 2.855 20 0 DFADRP [NH3+][C@H]1CCCCC[C@@H]1NC1CC[NH+](CCc2ccccc2)CC1 ZINC000422844130 296343396 /nfs/dbraw/zinc/34/33/96/296343396.db2.gz KXKNIORKAKQINU-PMACEKPBSA-N 2 0 315.505 2.943 20 0 DFADRP COc1ccccc1N1CCC([NH2+][C@@H]2CCCCC[C@@H]2[NH3+])CC1 ZINC000422841364 296342653 /nfs/dbraw/zinc/34/26/53/296342653.db2.gz VVNOHTOIDGERQZ-DLBZAZTESA-N 2 0 317.477 2.914 20 0 DFADRP C[C@H](NC1CC[NH+](CCc2ccccc2)CC1)[C@H]1CCCC[NH2+]1 ZINC000422841325 296342692 /nfs/dbraw/zinc/34/26/92/296342692.db2.gz CTKMEXWJLRSZQD-FXAWDEMLSA-N 2 0 315.505 2.814 20 0 DFADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]CCC(=O)N1CCCCCC1 ZINC000422843009 296343022 /nfs/dbraw/zinc/34/30/22/296343022.db2.gz GRFAUNPOVXRLJT-SJORKVTESA-N 2 0 309.498 2.680 20 0 DFADRP C[C@H]1CC[NH2+]CC[C@@H]1NC1CC[NH+](CCc2ccccc2)CC1 ZINC000422842442 296343102 /nfs/dbraw/zinc/34/31/02/296343102.db2.gz FWQRRGWATKMODO-PXNSSMCTSA-N 2 0 315.505 2.671 20 0 DFADRP CO[C@H](C[NH2+]CC1(SC)CC[NH+](C)CC1)C1CCCC1 ZINC000602665927 399509715 /nfs/dbraw/zinc/50/97/15/399509715.db2.gz FAAAQMGJOYHECY-OAHLLOKOSA-N 2 0 300.512 2.609 20 0 DFADRP CO[C@@H](C[NH2+]CC1(SC)CC[NH+](C)CC1)C1CCCCC1 ZINC000602665384 399509772 /nfs/dbraw/zinc/50/97/72/399509772.db2.gz AXGVNOGLSXZIRW-INIZCTEOSA-N 2 0 314.539 2.999 20 0 DFADRP C[C@H](CCC[NH3+])[NH2+]Cc1ccc(NC(=O)c2cccnc2)cc1 ZINC000422847037 296343986 /nfs/dbraw/zinc/34/39/86/296343986.db2.gz QVIAHRCSRAYHKH-CQSZACIVSA-N 2 0 312.417 2.551 20 0 DFADRP COc1ccccc1N1CC[C@H](C[NH2+][C@@H](C)CCCC[NH3+])C1 ZINC000422847407 296344058 /nfs/dbraw/zinc/34/40/58/296344058.db2.gz IBZKJKJKGJBPBS-JKSUJKDBSA-N 2 0 305.466 2.629 20 0 DFADRP COc1ccccc1N1CC[C@@H](C[NH2+]C2CCC(C[NH3+])CC2)C1 ZINC000422846658 296344097 /nfs/dbraw/zinc/34/40/97/296344097.db2.gz GAVSFLOQPVSBPC-CGZBRXJRSA-N 2 0 317.477 2.629 20 0 DFADRP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+]C1CCN(CC(F)(F)F)CC1 ZINC000422854534 296345239 /nfs/dbraw/zinc/34/52/39/296345239.db2.gz AZGYVBOQPSVSNB-UKRRQHHQSA-N 2 0 321.431 2.914 20 0 DFADRP COC1CC([NH2+]Cc2ccccc2C[N@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000347361100 285014493 /nfs/dbraw/zinc/01/44/93/285014493.db2.gz IWYSOXZZQQOHJR-MYMYQCDVSA-N 2 0 318.461 2.563 20 0 DFADRP C1CCC([N@@H+]2CC[C@H](N[C@@H]3CCC[C@H]3[C@H]3CCCC[NH2+]3)C2)C1 ZINC000422855922 296345624 /nfs/dbraw/zinc/34/56/24/296345624.db2.gz DHPAROQDZIMKEZ-GDAAHCPNSA-N 2 0 305.510 2.904 20 0 DFADRP C[C@@H](NC1CC[NH+](CCc2ccccc2)CC1)c1c[nH+]ccc1N ZINC000422852241 296344897 /nfs/dbraw/zinc/34/48/97/296344897.db2.gz XSZJYBBZCUONSK-MRXNPFEDSA-N 2 0 324.472 2.852 20 0 DFADRP C[C@H]1CC[NH2+]CC[C@H]1[NH2+]CC1(c2ccccc2)CCOCC1 ZINC000422852223 296344901 /nfs/dbraw/zinc/34/49/01/296344901.db2.gz XRXBBPOAQBTKIR-FUHWJXTLSA-N 2 0 302.462 2.713 20 0 DFADRP COc1ccc(C(C)(C)C[NH2+][C@H]2CC[NH2+]CC[C@H]2C)cc1OC ZINC000422864775 296346862 /nfs/dbraw/zinc/34/68/62/296346862.db2.gz VZHCHQHSXUYIBN-ZBFHGGJFSA-N 2 0 320.477 2.959 20 0 DFADRP CSCc1cc(F)ccc1C[NH2+][C@@H]1CCOC[C@@H]1[C@H](C)[NH3+] ZINC000422860647 296346381 /nfs/dbraw/zinc/34/63/81/296346381.db2.gz INKWCTXJQSNKRZ-IUIKQTSFSA-N 2 0 312.454 2.531 20 0 DFADRP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]C1CCN(c2ccccn2)CC1 ZINC000422866818 296347193 /nfs/dbraw/zinc/34/71/93/296347193.db2.gz QZKAQDMCVIPKDK-LPHOPBHVSA-N 2 0 324.472 2.599 20 0 DFADRP CC(C)[NH+](CCCNC(=O)[C@H](C)[NH+]1CCCCCC1)C(C)C ZINC000347381472 285022164 /nfs/dbraw/zinc/02/21/64/285022164.db2.gz LFSJIVUAMSEIAH-KRWDZBQOSA-N 2 0 311.514 2.876 20 0 DFADRP C[C@@H]([NH2+]Cc1ccccc1C[N@@H+]1CCC[C@@H](C)C1)C1C[NH2+]C1 ZINC000422874398 296348509 /nfs/dbraw/zinc/34/85/09/296348509.db2.gz CSPHVGVVGYHHOG-HZPDHXFCSA-N 3 0 301.478 2.616 20 0 DFADRP Cc1ccc(Cl)cc1N1CC[C@H](C[NH2+][C@@H]2CCC[C@H]2[NH3+])C1 ZINC000422876460 296348692 /nfs/dbraw/zinc/34/86/92/296348692.db2.gz FXSSEABKRDRXMI-FVQBIDKESA-N 2 0 307.869 2.944 20 0 DFADRP C[C@@H]1C[C@@H]([NH2+]C2CCC(C[NH3+])CC2)CN1Cc1ccccc1 ZINC000422875570 296348791 /nfs/dbraw/zinc/34/87/91/296348791.db2.gz PFHMUQSJUFQADX-JVGQSUMCSA-N 2 0 301.478 2.757 20 0 DFADRP C[C@H]([NH2+]Cc1ccc(C[N@H+]2C[C@H](C)C[C@H](C)C2)cc1)C1C[NH2+]C1 ZINC000422875678 296348866 /nfs/dbraw/zinc/34/88/66/296348866.db2.gz FOTVOAFIVVPIHH-BBWFWOEESA-N 3 0 315.505 2.862 20 0 DFADRP COc1ccc(C[NH2+][C@H]2CCC[C@@H]2C[NH3+])c(C(F)(F)F)c1 ZINC000422877214 296348923 /nfs/dbraw/zinc/34/89/23/296348923.db2.gz HJGAFPUSVRTDBH-YGRLFVJLSA-N 2 0 302.340 2.931 20 0 DFADRP Cc1nc(C[NH3+])ccc1[C@H](C)NCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000422884010 296350208 /nfs/dbraw/zinc/35/02/08/296350208.db2.gz RGEGOBQEBICDOX-XHSDSOJGSA-N 2 0 318.509 2.867 20 0 DFADRP COC[C@@H](CCC[NH3+])[NH2+]CC1(c2ccc(F)cc2)CCCC1 ZINC000422885462 296350460 /nfs/dbraw/zinc/35/04/60/296350460.db2.gz YSNMMXMOTXXDKL-QGZVFWFLSA-N 2 0 308.441 2.981 20 0 DFADRP Cc1ccc([C@H](CN[C@H]2CCCCC[C@@H]2[NH3+])[NH+]2CCCC2)o1 ZINC000422885391 296350478 /nfs/dbraw/zinc/35/04/78/296350478.db2.gz YLRDWUNRFZGZJB-ULQDDVLXSA-N 2 0 305.466 2.975 20 0 DFADRP COc1ccc(CC[NH2+][C@H]2CCC[NH2+]CC2)cc1OC(F)F ZINC000422881142 296349712 /nfs/dbraw/zinc/34/97/12/296349712.db2.gz PNZOLYCCHUCUEV-ZDUSSCGKSA-N 2 0 314.376 2.571 20 0 DFADRP C[C@H]([NH2+][C@@H](C)[C@@H]1CCOC1)c1cccc(OCC[NH+](C)C)c1 ZINC000119631746 195005879 /nfs/dbraw/zinc/00/58/79/195005879.db2.gz FLFUZMHOKSKVDT-YQQAZPJKSA-N 2 0 306.450 2.703 20 0 DFADRP CC1CCN(c2ccc(C[NH2+][C@@H]3CC[NH2+]CC[C@H]3C)cn2)CC1 ZINC000422890940 296351485 /nfs/dbraw/zinc/35/14/85/296351485.db2.gz JPWYSIFIEUWQEB-SJLPKXTDSA-N 2 0 316.493 2.796 20 0 DFADRP COCCOc1ccc([C@H](C)[NH2+][C@H]2CCC[NH2+]CC2)cc1OC ZINC000422892318 296351580 /nfs/dbraw/zinc/35/15/80/296351580.db2.gz MRORQVOLYJNOPV-HOCLYGCPSA-N 2 0 322.449 2.513 20 0 DFADRP Cc1ccccc1C[NH+]1CCC(N[C@H](C)[C@H]2CCC[NH2+]2)CC1 ZINC000422899504 296352830 /nfs/dbraw/zinc/35/28/30/296352830.db2.gz OSAKGLVRCVYKHV-VQIMIIECSA-N 2 0 301.478 2.690 20 0 DFADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]Cc1ccnc(N2CCCCC2)c1 ZINC000422899709 296352887 /nfs/dbraw/zinc/35/28/87/296352887.db2.gz OYKSXHVSIOSCCM-NVXWUHKLSA-N 2 0 302.466 2.550 20 0 DFADRP CC[C@H](C)[N@H+](C)CCN[C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422901410 296353046 /nfs/dbraw/zinc/35/30/46/296353046.db2.gz BZYFBDBVQGFCDI-KVSKMBFKSA-N 2 0 317.477 2.562 20 0 DFADRP Cc1cccc(OC[C@H](O)C[NH2+][C@@H](C)C[C@@H]2CCCCC[NH2+]2)c1 ZINC000422901878 296353060 /nfs/dbraw/zinc/35/30/60/296353060.db2.gz SQQNEZNVWUJAOQ-OKZBNKHCSA-N 2 0 320.477 2.635 20 0 DFADRP C[C@@H]([NH2+]C[C@@H]1CCN(c2ccc(F)cc2)C1)[C@@H]1CCCC[NH2+]1 ZINC000422902675 296353310 /nfs/dbraw/zinc/35/33/10/296353310.db2.gz UXUMDLNGNJFPSF-VKJFTORMSA-N 2 0 305.441 2.772 20 0 DFADRP C[C@@H]([NH2+]CCc1ccc(OC(F)(F)F)cc1)[C@H]1CC[NH2+]C1 ZINC000422894842 296352285 /nfs/dbraw/zinc/35/22/85/296352285.db2.gz UPUDHKCVTAERMS-YPMHNXCESA-N 2 0 302.340 2.715 20 0 DFADRP CCc1nc(CC[NH2+][C@@H](Cc2ccccc2)[C@H](C)[NH3+])cs1 ZINC000422897628 296352392 /nfs/dbraw/zinc/35/23/92/296352392.db2.gz CJUOCQDFCXSPIF-BBRMVZONSA-N 2 0 303.475 2.796 20 0 DFADRP CC[C@H](NC1CC[NH+](Cc2ccccn2)CC1)[C@@H]1CCCC[NH2+]1 ZINC000422896799 296352418 /nfs/dbraw/zinc/35/24/18/296352418.db2.gz IPCWRHBIKMLARH-OALUTQOASA-N 2 0 316.493 2.556 20 0 DFADRP CCc1nc(CC[NH2+][C@H](Cc2ccccc2)[C@H](C)[NH3+])cs1 ZINC000422897731 296352540 /nfs/dbraw/zinc/35/25/40/296352540.db2.gz CJUOCQDFCXSPIF-XJKSGUPXSA-N 2 0 303.475 2.796 20 0 DFADRP CC[C@@H](NC1CC[NH+](Cc2ccccn2)CC1)[C@@H]1CCCC[NH2+]1 ZINC000422896798 296352570 /nfs/dbraw/zinc/35/25/70/296352570.db2.gz IPCWRHBIKMLARH-MOPGFXCFSA-N 2 0 316.493 2.556 20 0 DFADRP CC[C@H](NC1CC[NH+](Cc2ccccn2)CC1)[C@H]1CCCC[NH2+]1 ZINC000422896800 296352594 /nfs/dbraw/zinc/35/25/94/296352594.db2.gz IPCWRHBIKMLARH-RBUKOAKNSA-N 2 0 316.493 2.556 20 0 DFADRP COc1ccc(Cl)cc1N1CC[C@H]([NH2+][C@@H]2CCC[NH2+]CC2)C1 ZINC000422907244 296354252 /nfs/dbraw/zinc/35/42/52/296354252.db2.gz LFCFABODVKURDI-CABCVRRESA-N 2 0 323.868 2.659 20 0 DFADRP C[C@H]([NH2+]CC1(c2ccc3c(c2)OCO3)CCCCC1)C1C[NH2+]C1 ZINC000422905474 296354366 /nfs/dbraw/zinc/35/43/66/296354366.db2.gz ZDMNLRGHJYDQCN-AWEZNQCLSA-N 2 0 316.445 2.815 20 0 DFADRP COc1cccc(N2CC[C@@H](C[NH2+][C@H](C)CCCC[NH3+])C2)c1 ZINC000422908345 296354706 /nfs/dbraw/zinc/35/47/06/296354706.db2.gz YHQYMPDPIDCFNK-CVEARBPZSA-N 2 0 305.466 2.629 20 0 DFADRP C[C@H](CCCC[NH3+])[NH2+]Cc1cccc(CN2CCO[C@@H](C)C2)c1 ZINC000422903639 296353626 /nfs/dbraw/zinc/35/36/26/296353626.db2.gz OQICSBSHOUYMJP-SJORKVTESA-N 2 0 319.493 2.514 20 0 DFADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]CCc1nc(-c2ccncc2)cs1 ZINC000422914592 296355320 /nfs/dbraw/zinc/35/53/20/296355320.db2.gz UVZWDZMJSMKGGS-UKRRQHHQSA-N 2 0 316.474 2.725 20 0 DFADRP Cc1cccc(NCC[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)n1 ZINC000422919866 296355547 /nfs/dbraw/zinc/35/55/47/296355547.db2.gz LCCFPTQCBFAKEH-BRWVUGGUSA-N 2 0 302.466 2.702 20 0 DFADRP CCOC(=O)C1([C@H](C)[NH2+][C@H]2C[C@H]2C2CCCCC2)CC[NH2+]CC1 ZINC000422920115 296355827 /nfs/dbraw/zinc/35/58/27/296355827.db2.gz LNCWXDYEFPUVJI-XIRDDKMYSA-N 2 0 322.493 2.866 20 0 DFADRP C[C@H]([NH3+])[C@H]1COCC[C@@H]1[NH2+]CC1(Cc2ccccc2)CCC1 ZINC000422926753 296355977 /nfs/dbraw/zinc/35/59/77/296355977.db2.gz DVGSTILNHRGYAK-JQHSSLGASA-N 2 0 302.462 2.741 20 0 DFADRP C[C@@H]([NH2+]C[C@H]1CCCCN1Cc1cccc(Cl)c1)C1C[NH2+]C1 ZINC000422910506 296354951 /nfs/dbraw/zinc/35/49/51/296354951.db2.gz QVCDVEGHNFEHEM-RDTXWAMCSA-N 2 0 321.896 2.892 20 0 DFADRP C[C@H]1CC[NH2+]CC[C@@H]1[NH2+]CCc1nc2ccccc2n1C(F)F ZINC000422912606 296355010 /nfs/dbraw/zinc/35/50/10/296355010.db2.gz NNSXQYHMOQYGKV-STQMWFEESA-N 2 0 322.403 2.952 20 0 DFADRP CCc1cccc2c(CC[NH2+][C@@H]3CCOC[C@H]3[C@@H](C)[NH3+])c[nH]c21 ZINC000422915179 296355153 /nfs/dbraw/zinc/35/51/53/296355153.db2.gz XLXFQNPAMBYMJD-JEBQAFNWSA-N 2 0 315.461 2.615 20 0 DFADRP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]CCOc1ccc(F)cc1 ZINC000422934426 296357421 /nfs/dbraw/zinc/35/74/21/296357421.db2.gz FWFSJRLVHUVPAY-KBXCAEBGSA-N 2 0 302.393 2.753 20 0 DFADRP COC[C@@H](CCC[NH3+])[NH2+][C@H](C)Cc1ccc(C(F)(F)F)cc1 ZINC000422943576 296358534 /nfs/dbraw/zinc/35/85/34/296358534.db2.gz YGGUPKZEEPSCQP-IUODEOHRSA-N 2 0 318.383 2.980 20 0 DFADRP CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)c1ccc2c(c1)C[NH2+]C2 ZINC000347502003 285060759 /nfs/dbraw/zinc/06/07/59/285060759.db2.gz IKOUWNUMTFZMMT-GOSISDBHSA-N 2 0 315.461 2.674 20 0 DFADRP CC(C)[C@H](CN[C@H](C)[C@H]1CC[NH2+]C1)[N@@H+]1CCc2ccccc2C1 ZINC000422935689 296357456 /nfs/dbraw/zinc/35/74/56/296357456.db2.gz HKQKJQLOFFYEKG-KPFFTGBYSA-N 2 0 315.505 2.657 20 0 DFADRP [NH3+]C[C@H]1CCC[C@H]1[NH2+]CCCC(=O)Nc1ccc(Cl)cc1 ZINC000422947902 296359398 /nfs/dbraw/zinc/35/93/98/296359398.db2.gz QTMFQWVWEVTSMI-IUODEOHRSA-N 2 0 309.841 2.776 20 0 DFADRP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]CCc1coc(-c2ccc(F)cc2)n1 ZINC000422951487 296359985 /nfs/dbraw/zinc/35/99/85/296359985.db2.gz YTEYEXMBOCHSFN-BBRMVZONSA-N 2 0 303.381 2.740 20 0 DFADRP C[C@H]([NH2+]CC1(c2ccc(Cl)cc2)CCOCC1)C1C[NH2+]C1 ZINC000422949391 296359657 /nfs/dbraw/zinc/35/96/57/296359657.db2.gz TYSCTIYCKWUSOH-ZDUSSCGKSA-N 2 0 308.853 2.586 20 0 DFADRP CC[C@](C[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1)(C(=O)OC)c1ccccc1 ZINC000602695860 399524335 /nfs/dbraw/zinc/52/43/35/399524335.db2.gz PSJDZTZAPDRRLQ-HHXXYDBFSA-N 2 0 318.461 2.580 20 0 DFADRP C[C@H](Nc1cccc(C[NH+]2C[C@@H](C)O[C@H](C)C2)c1)[C@H]1CCC[NH2+]1 ZINC000422958898 296361046 /nfs/dbraw/zinc/36/10/46/296361046.db2.gz ZHDFPDQQIZARQS-OAFZBRQQSA-N 2 0 317.477 2.848 20 0 DFADRP C[C@H](Nc1cccc(C[NH+]2CCSCC2)c1)[C@H]1CCC[NH2+]1 ZINC000422958940 296361101 /nfs/dbraw/zinc/36/11/01/296361101.db2.gz ZPUSFXFEAQQBIB-WMLDXEAASA-N 2 0 305.491 2.788 20 0 DFADRP COc1cccc(SCC[N@@H+]2CCC[C@H]3C[NH2+]CC[C@H]32)c1 ZINC000631889827 399521198 /nfs/dbraw/zinc/52/11/98/399521198.db2.gz KAYAAKMYWWMUTR-WMLDXEAASA-N 2 0 306.475 2.861 20 0 DFADRP C[C@@H]([NH2+]CCOc1ccccc1C(F)(F)F)[C@H]1CC[NH2+]C1 ZINC000422954912 296360234 /nfs/dbraw/zinc/36/02/34/296360234.db2.gz INCZWDGEQREWTI-NEPJUHHUSA-N 2 0 302.340 2.672 20 0 DFADRP C[C@H]([NH3+])C[C@H](C)Nc1cccc(C[NH+]2C[C@H](C)O[C@@H](C)C2)c1 ZINC000422952572 296360369 /nfs/dbraw/zinc/36/03/69/296360369.db2.gz BIDLROIKGNYDCO-VGWMRTNUSA-N 2 0 305.466 2.834 20 0 DFADRP COC[C@@H](CCC[NH3+])[NH2+]Cc1ccc(Br)cc1C ZINC000422953741 296360449 /nfs/dbraw/zinc/36/04/49/296360449.db2.gz GMSRQLUWMDTUCZ-CQSZACIVSA-N 2 0 315.255 2.601 20 0 DFADRP Cc1noc(C)c1[C@H](C)C[NH2+][C@H](Cc1ccccc1)[C@H](C)[NH3+] ZINC000422962026 296361298 /nfs/dbraw/zinc/36/12/98/296361298.db2.gz BRUPZQMFVGSTOH-IIYDPXPESA-N 2 0 301.434 2.943 20 0 DFADRP CCOC(=O)C1([C@@H](C)[NH2+][C@H](C)c2ccc(C)o2)CC[NH2+]CC1 ZINC000422961914 296361367 /nfs/dbraw/zinc/36/13/67/296361367.db2.gz DFWFRTXWTPHKMR-ZIAGYGMSSA-N 2 0 308.422 2.560 20 0 DFADRP C[C@H]([NH3+])[C@H]1COCC[C@@H]1[NH2+]CCOc1ccccc1C(C)(C)C ZINC000422960464 296361503 /nfs/dbraw/zinc/36/15/03/296361503.db2.gz WMQHOCPCIFPBLC-UXLLHSPISA-N 2 0 320.477 2.705 20 0 DFADRP c1ccc([C@H]2C[C@H]([NH2+][C@@H]3CCOC[C@H]3[C@@H]3CCC[NH2+]3)C2)cc1 ZINC000422963003 296361766 /nfs/dbraw/zinc/36/17/66/296361766.db2.gz DYMZFOOMRASONM-VPAKFMSCSA-N 2 0 300.446 2.679 20 0 DFADRP Cc1nn(-c2ccccc2)cc1CCC[NH2+][C@H](C)[C@H]1CC[NH2+]C1 ZINC000422967059 296362744 /nfs/dbraw/zinc/36/27/44/296362744.db2.gz SDEHPSBLLSBYJJ-WBVHZDCISA-N 2 0 312.461 2.701 20 0 DFADRP c1cc(COC2CCOCC2)ccc1C[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000422970383 296362918 /nfs/dbraw/zinc/36/29/18/296362918.db2.gz WHTJSJZNJSRVHB-GOSISDBHSA-N 2 0 318.461 2.614 20 0 DFADRP Cc1nn(-c2ccccc2)cc1CCC[NH2+][C@H](C)[C@@H]1CC[NH2+]C1 ZINC000422967057 296362483 /nfs/dbraw/zinc/36/24/83/296362483.db2.gz SDEHPSBLLSBYJJ-NVXWUHKLSA-N 2 0 312.461 2.701 20 0 DFADRP [NH3+]C[C@@H]1CCC[C@H]1[NH2+]Cc1ccnc(OCc2ccccc2)c1 ZINC000422977702 296363738 /nfs/dbraw/zinc/36/37/38/296363738.db2.gz XILVMMLLSSIYCY-ZWKOTPCHSA-N 2 0 311.429 2.878 20 0 DFADRP Oc1ccc(CC[NH2+][C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)cc1 ZINC000422988825 296364586 /nfs/dbraw/zinc/36/45/86/296364586.db2.gz LJOOCHXBKZSKBH-ICSRJNTNSA-N 2 0 324.424 2.780 20 0 DFADRP CC(C)C[N@@H+]1CCC[C@H](C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)C1 ZINC000422992521 296364802 /nfs/dbraw/zinc/36/48/02/296364802.db2.gz CUZIDBYXTLVEEX-AKHDSKFASA-N 2 0 307.526 2.865 20 0 DFADRP [NH3+][C@H]1CCCCC[C@H]1[NH2+]CCOc1ccc(C(F)(F)F)cn1 ZINC000422992921 296364823 /nfs/dbraw/zinc/36/48/23/296364823.db2.gz SBUKHIDXVAEYCQ-QWHCGFSZSA-N 2 0 317.355 2.729 20 0 DFADRP Cc1cc(C[C@H](C)[NH2+][C@@H](C)C[C@@H](C)[NH3+])n(-c2ccccc2)n1 ZINC000423000584 296365968 /nfs/dbraw/zinc/36/59/68/296365968.db2.gz VQBHKDNJJFPCAK-ILXRZTDVSA-N 2 0 300.450 2.827 20 0 DFADRP CC(C)C[N@@H+]1CCC[C@@H]1CN[C@H](Cc1ccccc1)[C@@H](C)[NH3+] ZINC000423005331 296366272 /nfs/dbraw/zinc/36/62/72/296366272.db2.gz RMPFAMLAMJEQSC-BHIYHBOVSA-N 2 0 303.494 2.655 20 0 DFADRP [NH3+][C@@H]1CCCCC[C@H]1[NH2+]CC1CCN(c2cc[nH+]cc2)CC1 ZINC000422997691 296365537 /nfs/dbraw/zinc/36/55/37/296365537.db2.gz VKBDKSBXNLZXLF-QZTJIDSGSA-N 3 0 302.466 2.548 20 0 DFADRP COc1cccc(CC[NH2+][C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)n1 ZINC000423009629 296367189 /nfs/dbraw/zinc/36/71/89/296367189.db2.gz WBDNGVMRJNAWQS-GVDBMIGSSA-N 2 0 303.450 2.533 20 0 DFADRP C[C@H](CCC[NH3+])[NH2+][C@@H]1CCN(C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000423009015 296367242 /nfs/dbraw/zinc/36/72/42/296367242.db2.gz BPFVNRYTBPFPFA-LYRGGWFBSA-N 2 0 313.848 2.941 20 0 DFADRP C[C@@H](CCCC[NH3+])[NH2+]C[C@H](C)c1nc(-c2ccccc2)no1 ZINC000423014668 296367791 /nfs/dbraw/zinc/36/77/91/296367791.db2.gz PLXGFIJEYVEARU-KBPBESRZSA-N 2 0 302.422 2.947 20 0 DFADRP COc1ccc(OC)c(CCC[NH2+][C@H]2CCCCC[C@@H]2[NH3+])c1 ZINC000423015751 296368236 /nfs/dbraw/zinc/36/82/36/296368236.db2.gz RLAHSWYWSZRUAR-IRXDYDNUSA-N 2 0 306.450 2.886 20 0 DFADRP COc1ccc(OC)c(CCC[NH2+][C@@H]2CCCCC[C@H]2[NH3+])c1 ZINC000423015750 296368254 /nfs/dbraw/zinc/36/82/54/296368254.db2.gz RLAHSWYWSZRUAR-IAGOWNOFSA-N 2 0 306.450 2.886 20 0 DFADRP C[C@@H](C[NH2+]C1CCC(C[NH3+])CC1)c1nc(-c2ccccc2)no1 ZINC000423010754 296367393 /nfs/dbraw/zinc/36/73/93/296367393.db2.gz HMHCOVRCXMXLEP-HLIUYOAVSA-N 2 0 314.433 2.947 20 0 DFADRP c1ccc(C[N@@H+]2C[C@@H]3CCC[C@H](NC4CC[NH2+]CC4)[C@H]3C2)cc1 ZINC000423026688 296369257 /nfs/dbraw/zinc/36/92/57/296369257.db2.gz BYCLZISVVRXXPP-IHPCNDPISA-N 2 0 313.489 2.629 20 0 DFADRP COC[C@@H](CCC[NH3+])[NH2+][C@@H](c1cccc(C)c1)c1ccccn1 ZINC000423033242 296370091 /nfs/dbraw/zinc/37/00/91/296370091.db2.gz ZHSQBGBLVDNCCW-MJGOQNOKSA-N 2 0 313.445 2.823 20 0 DFADRP C[C@@H]([NH3+])[C@@H](Cc1ccccc1)NCC1(C[NH+](C)C)CCCC1 ZINC000423033385 296370103 /nfs/dbraw/zinc/37/01/03/296370103.db2.gz GLIZTYCBGMASRY-SJLPKXTDSA-N 2 0 303.494 2.657 20 0 DFADRP CCC(CC)(C[NH2+][C@H](Cc1ccccc1)[C@H](C)[NH3+])C(=O)OC ZINC000423036034 296370277 /nfs/dbraw/zinc/37/02/77/296370277.db2.gz KOKTUYYGWWRUGT-GOEBONIOSA-N 2 0 306.450 2.514 20 0 DFADRP COc1ccccc1OC[C@H](C)C[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000423029794 296369661 /nfs/dbraw/zinc/36/96/61/296369661.db2.gz VPLJTBJZNOUMPN-JZWPEALZSA-N 2 0 304.434 2.583 20 0 DFADRP COCC[C@H](Cc1ccco1)[NH2+][C@H]1C[C@H]([NH3+])c2ccccc21 ZINC000423028565 296369780 /nfs/dbraw/zinc/36/97/80/296369780.db2.gz GSEDGPRVBQPQPB-BVGQSLNGSA-N 2 0 300.402 2.962 20 0 DFADRP CC[N@H+](Cc1ccc(C(=O)N2CC[C@@](C)(C[NH3+])C2)cc1)C(C)C ZINC000261703881 285097692 /nfs/dbraw/zinc/09/76/92/285097692.db2.gz BOSFACARQQQISL-IBGZPJMESA-N 2 0 317.477 2.728 20 0 DFADRP Clc1ccc(COCC[NH2+]C2CC[NH2+]CC2)c(Cl)c1 ZINC000423030593 296369966 /nfs/dbraw/zinc/36/99/66/296369966.db2.gz TYQHXKKUDDKIAO-UHFFFAOYSA-N 2 0 303.233 2.852 20 0 DFADRP C[C@H]([NH3+])[C@@H](Cc1ccccc1)NCC[C@H](C)[NH+]1CCCCC1 ZINC000423031486 296369991 /nfs/dbraw/zinc/36/99/91/296369991.db2.gz LAOSVIORNBNQFT-JENIJYKNSA-N 2 0 303.494 2.799 20 0 DFADRP Fc1ccc(N2CC[C@@H]([NH2+][C@H]3CCC[NH2+]CC3)C2)cc1Cl ZINC000423037851 296370608 /nfs/dbraw/zinc/37/06/08/296370608.db2.gz CGMPXKUZEAXDAS-QWHCGFSZSA-N 2 0 311.832 2.790 20 0 DFADRP CC[N@H+](Cc1ccc(N(C)C(C)C)nc1)[C@@H]1CCC[NH2+]CC1 ZINC000262047898 285100751 /nfs/dbraw/zinc/10/07/51/285100751.db2.gz ZGFAEHLQWOBTPL-QGZVFWFLSA-N 2 0 304.482 2.890 20 0 DFADRP C[C@H]1CC[NH2+]CC[C@H]1[NH2+]CCCOCCOCc1ccccc1 ZINC000423043969 296371427 /nfs/dbraw/zinc/37/14/27/296371427.db2.gz QGLYXVAQBJTVLV-PKOBYXMFSA-N 2 0 320.477 2.588 20 0 DFADRP COC[C@H](CCC[NH3+])[NH2+][C@@H](Cc1ccccn1)c1ccccc1 ZINC000423052429 296372371 /nfs/dbraw/zinc/37/23/71/296372371.db2.gz PRAJGOKOWNYMLK-OALUTQOASA-N 2 0 313.445 2.709 20 0 DFADRP COc1ccccc1[C@H](C[NH2+][C@@H]1CCC[NH2+]CC1)OC(C)C ZINC000423053891 296372483 /nfs/dbraw/zinc/37/24/83/296372483.db2.gz SJWHQGQADVKDGI-QAPCUYQASA-N 2 0 306.450 2.893 20 0 DFADRP CC(C)N1CC[C@@H]([NH2+]C2CC[NH2+]CC2)[C@H]1c1ccc(F)c(F)c1 ZINC000423049861 296372070 /nfs/dbraw/zinc/37/20/70/296372070.db2.gz YFDFWSXOJNKOMJ-QZTJIDSGSA-N 2 0 323.431 2.830 20 0 DFADRP Cn1cc(CC[NH2+][C@@H]2CCCC[C@@H]2C[NH3+])c2ccc(F)cc21 ZINC000423049320 296372180 /nfs/dbraw/zinc/37/21/80/296372180.db2.gz JOENLDBRTOVDOE-CXAGYDPISA-N 2 0 303.425 2.967 20 0 DFADRP C[C@H](CCC1CCCCC1)[NH2+]CCCN1CCC[C@H]1C(N)=O ZINC000624085512 399548730 /nfs/dbraw/zinc/54/87/30/399548730.db2.gz ZDZBRUFHTGHSET-WBVHZDCISA-N 2 0 309.498 2.665 20 0 DFADRP CCN(CC[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1)CCC(F)(F)F ZINC000423067881 296374420 /nfs/dbraw/zinc/37/44/20/296374420.db2.gz ALTMGCQLVLYVLP-RRFJBIMHSA-N 2 0 321.431 2.771 20 0 DFADRP Clc1ccc(N2CC[C@H]([NH2+]C3CC[NH2+]CC3)C2)c(Cl)c1 ZINC000423064954 296374001 /nfs/dbraw/zinc/37/40/01/296374001.db2.gz AJBBNLBVSKADFY-ZDUSSCGKSA-N 2 0 314.260 2.914 20 0 DFADRP CC(C)(C)[NH+]1CCC([NH2+]C[C@H]2CCCN2CC(F)F)CC1 ZINC000624095414 399551478 /nfs/dbraw/zinc/55/14/78/399551478.db2.gz CILJPGMXWSFTQQ-CQSZACIVSA-N 2 0 303.441 2.568 20 0 DFADRP Cn1ccnc1CN1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000159047955 197321866 /nfs/dbraw/zinc/32/18/66/197321866.db2.gz VPMPDGBDOWOGTE-MOPGFXCFSA-N 2 0 324.472 2.907 20 0 DFADRP C[C@H](O)[C@](C)(C[NH2+][C@H]1CCCCC[C@@H]1[NH3+])Cc1ccccc1 ZINC000423070160 296374843 /nfs/dbraw/zinc/37/48/43/296374843.db2.gz FQGSJQZOUMBNGU-WNHJNPCNSA-N 2 0 304.478 2.866 20 0 DFADRP C[C@@H](CCn1cccn1)[NH2+]Cc1ccc(F)c(C[NH+](C)C)c1 ZINC000158846941 197306644 /nfs/dbraw/zinc/30/66/44/197306644.db2.gz PGXHPQAVTNQDDL-AWEZNQCLSA-N 2 0 304.413 2.652 20 0 DFADRP CC[C@H]([NH2+]CC1(CO)CC(c2ccccc2)C1)[C@@H]1CCC[NH2+]1 ZINC000423086180 296376767 /nfs/dbraw/zinc/37/67/67/296376767.db2.gz LMACBFYWTSJRDC-YBXZHIRMSA-N 2 0 302.462 2.663 20 0 DFADRP Fc1ccc2c(c1)[C@@H]([NH2+][C@@H]1CCOC[C@@H]1[C@@H]1CCC[NH2+]1)CCC2 ZINC000423087129 296376793 /nfs/dbraw/zinc/37/67/93/296376793.db2.gz OQAWZIMFDGUDTF-YDZRNGNQSA-N 2 0 318.436 2.950 20 0 DFADRP COc1ccc([C@H](C)[C@H](C)[NH2+]CCCC[NH+]2CCOCC2)cc1 ZINC000158802815 197302409 /nfs/dbraw/zinc/30/24/09/197302409.db2.gz HWAUFIKQZBFNFV-SJORKVTESA-N 2 0 320.477 2.889 20 0 DFADRP C[C@H]1CC[NH2+]CC[C@@H]1[NH2+]CC1CCN(c2ccccc2)CC1 ZINC000423091315 296377219 /nfs/dbraw/zinc/37/72/19/296377219.db2.gz ZWHQEIFKDRZZSH-LPHOPBHVSA-N 2 0 301.478 2.881 20 0 DFADRP Fc1cccc([C@H]2C[C@H]([NH2+][C@@H]3CCOC[C@H]3[C@@H]3CCC[NH2+]3)C2)c1 ZINC000423096473 296377905 /nfs/dbraw/zinc/37/79/05/296377905.db2.gz OXVNAFMOVOJBNV-XFUTXVRSSA-N 2 0 318.436 2.818 20 0 DFADRP OCC1(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)CC2(CCC2)C1 ZINC000423089250 296377277 /nfs/dbraw/zinc/37/72/77/296377277.db2.gz RVPYBIBIECYWQB-YESZJQIVSA-N 2 0 306.494 2.830 20 0 DFADRP CC[C@H]([NH2+][C@H]1CC[C@@H](C(=O)N2CCCCC2)C1)[C@H]1CCCC[NH2+]1 ZINC000423092613 296377503 /nfs/dbraw/zinc/37/75/03/296377503.db2.gz CQWALDHRQRRNIK-VSZNYVQBSA-N 2 0 321.509 2.678 20 0 DFADRP C[C@H](CCC[NH3+])[NH2+]CCc1cccc(OCC(F)(F)F)c1 ZINC000423093678 296377569 /nfs/dbraw/zinc/37/75/69/296377569.db2.gz IKFAADQHVQSITQ-GFCCVEGCSA-N 2 0 304.356 2.887 20 0 DFADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]C[C@H](CO)CC1CCCC1 ZINC000423099802 296378194 /nfs/dbraw/zinc/37/81/94/296378194.db2.gz MLZPFIHVOHOVIH-CZUORRHYSA-N 2 0 305.466 2.688 20 0 DFADRP CC(C)SCC[NH2+][C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423103288 296378567 /nfs/dbraw/zinc/37/85/67/296378567.db2.gz GGTRQFVTIFEMAE-DOTOQJQBSA-N 2 0 306.475 2.974 20 0 DFADRP C[C@H]([NH2+][C@@H](c1cncc(Br)c1)C1CC1)[C@@H]1CC[NH2+]C1 ZINC000423104389 296378583 /nfs/dbraw/zinc/37/85/83/296378583.db2.gz MBWRKKBQBDVGBH-JVLSTEMRSA-N 2 0 324.266 2.883 20 0 DFADRP C[C@@H](CC(=O)Nc1ccc(F)cc1)[NH2+]C[C@@H]1CCCC[N@H+](C)C1 ZINC000624120049 399559208 /nfs/dbraw/zinc/55/92/08/399559208.db2.gz QKTPLWNSEULUJI-GJZGRUSLSA-N 2 0 321.440 2.864 20 0 DFADRP [NH3+]C[C@H]1CCC[C@H]1[NH2+]CCc1cccc(OCC(F)(F)F)c1 ZINC000423102510 296378762 /nfs/dbraw/zinc/37/87/62/296378762.db2.gz WXWVIPGHGPZFCA-UKRRQHHQSA-N 2 0 316.367 2.887 20 0 DFADRP C[C@H](CC(=O)Nc1cccc(F)c1)[NH2+]C[C@@H]1CCCC[N@H+](C)C1 ZINC000624121452 399560504 /nfs/dbraw/zinc/56/05/04/399560504.db2.gz WUUGTLMBKWRPKT-CABCVRRESA-N 2 0 321.440 2.864 20 0 DFADRP COC[C@H](CCC[NH3+])[NH2+][C@@H]1CC[C@@H](c2ccccc2)C[C@H]1OC ZINC000423115004 296380329 /nfs/dbraw/zinc/38/03/29/296380329.db2.gz WUQNQQNRHSXVLY-FCGDIQPGSA-N 2 0 320.477 2.681 20 0 DFADRP Cc1ccc(C(C)(C)C[NH2+][C@@H]2CCOC[C@@H]2[C@H](C)[NH3+])c(C)c1 ZINC000423124363 296381544 /nfs/dbraw/zinc/38/15/44/296381544.db2.gz GIHZXVVHHXWHAZ-LZLYRXPVSA-N 2 0 304.478 2.923 20 0 DFADRP CC(C)Oc1ccc([C@H](C[NH2+][C@@H]2CCC[NH2+]CC2)N(C)C)cc1 ZINC000423121514 296381015 /nfs/dbraw/zinc/38/10/15/296381015.db2.gz IPNLHDZSFLOSDZ-MJGOQNOKSA-N 2 0 319.493 2.808 20 0 DFADRP [NH3+][C@@H]1CCCCC[C@H]1[NH2+]CCc1cccc(C(F)(F)F)n1 ZINC000423122472 296381152 /nfs/dbraw/zinc/38/11/52/296381152.db2.gz CJWIZNOIGDWJBE-CHWSQXEVSA-N 2 0 301.356 2.893 20 0 DFADRP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]C[C@@]1(CO)C[C@H]1c1ccccc1 ZINC000423129516 296381768 /nfs/dbraw/zinc/38/17/68/296381768.db2.gz XEHSUENVCIMHKT-LRGNLBRXSA-N 2 0 324.468 2.701 20 0 DFADRP Fc1ccccc1N1CC[C@H]([NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)C1 ZINC000423136975 296383162 /nfs/dbraw/zinc/38/31/62/296383162.db2.gz VPRNCSMFIOVXND-CIRFHOKZSA-N 2 0 317.452 2.915 20 0 DFADRP C[C@@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]CCCCC[NH+]1CCCC1 ZINC000423137265 296383223 /nfs/dbraw/zinc/38/32/23/296383223.db2.gz QLZKCIDVAWDJDZ-IEBWSBKVSA-N 3 0 303.494 2.801 20 0 DFADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]CCc1cccc(C(F)(F)F)n1 ZINC000423134391 296382478 /nfs/dbraw/zinc/38/24/78/296382478.db2.gz RSKOHLQJNIFSPQ-DGCLKSJQSA-N 2 0 301.356 2.621 20 0 DFADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]CCc1cc(C(F)(F)F)ccn1 ZINC000423140693 296383788 /nfs/dbraw/zinc/38/37/88/296383788.db2.gz ZEIDKPJUFABWMX-FZMZJTMJSA-N 2 0 301.356 2.750 20 0 DFADRP COCCOCc1ccc(C[NH2+][C@@H]2CCCCC[C@H]2[NH3+])cc1 ZINC000423142020 296383804 /nfs/dbraw/zinc/38/38/04/296383804.db2.gz SYWUUGQNIITMIQ-QZTJIDSGSA-N 2 0 306.450 2.599 20 0 DFADRP C[C@@]1(C[NH2+][C@@H]2CCOC[C@@H]2[C@@H]2CCC[NH2+]2)C[C@H]1c1ccccc1 ZINC000423139003 296383456 /nfs/dbraw/zinc/38/34/56/296383456.db2.gz UUSFCPAMEGEEDC-CXQPBAHBSA-N 2 0 314.473 2.927 20 0 DFADRP CCCOc1c(OC)cc(CC[NH2+][C@H]2CCC[C@H]2[NH3+])cc1OC ZINC000423146358 296384672 /nfs/dbraw/zinc/38/46/72/296384672.db2.gz AIJCWHHBPVJOBE-CABCVRRESA-N 2 0 322.449 2.505 20 0 DFADRP CSc1ccc([C@H](CN[C@H](C)[C@@H]2CCC[NH2+]2)[NH+](C)C)cc1 ZINC000423146749 296384757 /nfs/dbraw/zinc/38/47/57/296384757.db2.gz QHJQEUMJFNTATF-COXVUDFISA-N 2 0 307.507 2.741 20 0 DFADRP [NH3+]C[C@H]1CCCC[C@H]1[NH2+]CCOc1ccc(Cl)c(F)c1 ZINC000423147201 296385075 /nfs/dbraw/zinc/38/50/75/296385075.db2.gz CCYIRLFQYYWBEP-IAQYHMDHSA-N 2 0 300.805 2.965 20 0 DFADRP COCC[C@@H]([NH2+][C@H](C)C1C[NH2+]C1)c1cccc(C(F)(F)F)c1 ZINC000423158089 296386138 /nfs/dbraw/zinc/38/61/38/296386138.db2.gz WFBQEJSACKKVHQ-IAQYHMDHSA-N 2 0 316.367 2.981 20 0 DFADRP c1ccc2c(c1)O[C@]1(CC[NH2+]C1)C[C@@H]2[NH2+]CCC[C@@H]1CCOC1 ZINC000423161372 296386759 /nfs/dbraw/zinc/38/67/59/296386759.db2.gz NPUYDCRNJKRLJO-HHXXYDBFSA-N 2 0 316.445 2.649 20 0 DFADRP CCOC(=O)C1([C@H](C)[NH2+]C[C@H]2CCC[C@H]2CC)CC[NH2+]CC1 ZINC000423163469 296386822 /nfs/dbraw/zinc/38/68/22/296386822.db2.gz VMXNICAEGFCSLR-ARFHVFGLSA-N 2 0 310.482 2.724 20 0 DFADRP Cc1ccc(C[C@H](CO)[NH2+][C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)cc1C ZINC000423163572 296387047 /nfs/dbraw/zinc/38/70/47/296387047.db2.gz MVGKBPCCPHOYAH-IYWMVGAKSA-N 2 0 316.489 2.717 20 0 DFADRP C[C@H]1CC[NH2+]CC[C@@H]1[NH2+]CCc1cccc(Br)c1 ZINC000423161343 296387079 /nfs/dbraw/zinc/38/70/79/296387079.db2.gz JAVWVBMHLOBXOK-WFASDCNBSA-N 2 0 311.267 2.969 20 0 DFADRP COc1cc(OC)c(C[C@@H](C)[NH2+]C2CCC([NH3+])CC2)c(OC)c1 ZINC000423159357 296386536 /nfs/dbraw/zinc/38/65/36/296386536.db2.gz OXHCDVILRNGMQJ-IYXRBSQSSA-N 2 0 322.449 2.503 20 0 DFADRP COc1cccc2c1C[C@@H]([NH2+][C@H](C)c1ccc(C[NH3+])nc1C)C2 ZINC000423166795 296387526 /nfs/dbraw/zinc/38/75/26/296387526.db2.gz DHEHONSEBMXAHJ-CJNGLKHVSA-N 2 0 311.429 2.675 20 0 DFADRP Clc1ccc2c(c1)[C@H]([NH2+]CCCN1CC[NH2+]CC1)CCCC2 ZINC000423182110 296389163 /nfs/dbraw/zinc/38/91/63/296389163.db2.gz PTVAIJSMMAAUQU-GOSISDBHSA-N 2 0 321.896 2.992 20 0 DFADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]C[C@H](CO)c1ccc(F)cc1 ZINC000423177283 296388619 /nfs/dbraw/zinc/38/86/19/296388619.db2.gz GYQSNZMPYZLWES-KYJSFNMBSA-N 2 0 308.441 2.802 20 0 DFADRP C[C@@H]1C[C@H]([NH2+][C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)CS1 ZINC000423176901 296388663 /nfs/dbraw/zinc/38/86/63/296388663.db2.gz GNJVCPHICZZRQL-RMRKRWHISA-N 2 0 304.459 2.726 20 0 DFADRP C[C@H]1C[C@@H]([NH2+]CCCN2CC[NH2+]CC2)c2ccsc2S1 ZINC000423183935 296389774 /nfs/dbraw/zinc/38/97/74/296389774.db2.gz SNEMDYJXFUTBFN-GXTWGEPZSA-N 2 0 311.520 2.558 20 0 DFADRP CC[N@@H+]1CC[C@H]([NH+](C)CCOc2cccc(OC)c2)[C@H](C)C1 ZINC000157673710 197207129 /nfs/dbraw/zinc/20/71/29/197207129.db2.gz OXVBAWACOXRAQW-QAPCUYQASA-N 2 0 306.450 2.736 20 0 DFADRP c1ccc([C@H]2CCCC[C@H]2[NH2+]CCCN2CC[NH2+]CC2)cc1 ZINC000423187520 296390244 /nfs/dbraw/zinc/39/02/44/296390244.db2.gz YBIDHTBKIVRQPO-RTBURBONSA-N 2 0 301.478 2.598 20 0 DFADRP Cc1ccc([C@@H]([NH2+]CCCN2CC[NH2+]CC2)C2CCCC2)o1 ZINC000423195286 296390724 /nfs/dbraw/zinc/39/07/24/296390724.db2.gz ZGUZBTMMMPJZAP-SFHVURJKSA-N 2 0 305.466 2.704 20 0 DFADRP Cc1ccc([C@H]([NH2+]CCCN2CC[NH2+]CC2)C2CCCC2)o1 ZINC000423195285 296390759 /nfs/dbraw/zinc/39/07/59/296390759.db2.gz ZGUZBTMMMPJZAP-GOSISDBHSA-N 2 0 305.466 2.704 20 0 DFADRP C[C@@H](O)C[C@H](C)C[NH2+][C@@H](C)c1cccc(OCC[NH+](C)C)c1 ZINC000157639237 197203388 /nfs/dbraw/zinc/20/33/88/197203388.db2.gz BLAKIKWWALVVLR-XHSDSOJGSA-N 2 0 308.466 2.685 20 0 DFADRP C[C@@H]([NH2+]CCN1CC[NH2+]CC1)c1cccc(-c2ccccc2)c1 ZINC000423199750 296391738 /nfs/dbraw/zinc/39/17/38/296391738.db2.gz CLPJIKXROMCPOB-QGZVFWFLSA-N 2 0 309.457 2.909 20 0 DFADRP Clc1cccc([C@@H]2CC[C@@H]([NH2+]CCCN3CC[NH2+]CC3)C2)c1 ZINC000423195629 296391169 /nfs/dbraw/zinc/39/11/69/296391169.db2.gz ZSUXSTOWVYCCEP-SJLPKXTDSA-N 2 0 321.896 2.861 20 0 DFADRP C[NH2+]CCC[NH2+][C@@H](C)Cc1ccc(F)cc1Br ZINC000423198953 296391580 /nfs/dbraw/zinc/39/15/80/296391580.db2.gz IURBFNADTFUTNW-JTQLQIEISA-N 2 0 303.219 2.718 20 0 DFADRP c1ccc(CC[C@H]([NH2+]CCN2CC[NH2+]CC2)c2ccccc2)cc1 ZINC000423208621 296392496 /nfs/dbraw/zinc/39/24/96/296392496.db2.gz TYTBNMKEDOYAGV-NRFANRHFSA-N 2 0 323.484 2.855 20 0 DFADRP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)c1cccc(OCC[NH+](C)C)c1 ZINC000423206794 296392533 /nfs/dbraw/zinc/39/25/33/296392533.db2.gz DAIUIUIHMMEBKD-NAZJXLNTSA-N 3 0 317.477 2.561 20 0 DFADRP C[C@H]([NH2+]CCN1CC[NH2+]CC1)c1ccc(F)c2ccccc21 ZINC000423206682 296392550 /nfs/dbraw/zinc/39/25/50/296392550.db2.gz QXCNUZWUTJTJQC-AWEZNQCLSA-N 2 0 301.409 2.535 20 0 DFADRP COc1ccc(C[C@H](C)[NH2+]C[C@@H]2CCC[NH2+]C2)c(C)c1OC ZINC000423206590 296392581 /nfs/dbraw/zinc/39/25/81/296392581.db2.gz GGCTVPZWZQQLFC-DZGCQCFKSA-N 2 0 306.450 2.532 20 0 DFADRP COCCOc1ccc([C@H](C)[NH2+][C@H](C)[C@@H]2CCC[NH2+]C2)cc1 ZINC000423207487 296392618 /nfs/dbraw/zinc/39/26/18/296392618.db2.gz CTEPGBNNPOINBY-ZMSDIMECSA-N 2 0 306.450 2.751 20 0 DFADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)Nc1ccsc1 ZINC000157404522 197185730 /nfs/dbraw/zinc/18/57/30/197185730.db2.gz MJHSWQPRJYDZAF-OAHLLOKOSA-N 2 0 324.494 2.628 20 0 DFADRP CC[C@H]([NH2+][C@H](C)[C@H]1CCC[NH2+]C1)c1ccc(C(=O)OC)cc1 ZINC000423211917 296393019 /nfs/dbraw/zinc/39/30/19/296393019.db2.gz HVGPRTYSGVMCIB-COXVUDFISA-N 2 0 304.434 2.902 20 0 DFADRP COc1ccc([C@H](C)[C@@H](C)[NH2+]C[C@@H]2CCC[NH2+]C2)cc1OC ZINC000423220967 296394043 /nfs/dbraw/zinc/39/40/43/296394043.db2.gz YYUXACCSBYDFTG-RBSFLKMASA-N 2 0 306.450 2.785 20 0 DFADRP C[C@H]([NH2+]C1CCC([NH3+])CC1)c1ccc(OCC[NH+](C)C)cc1 ZINC000423213662 296393189 /nfs/dbraw/zinc/39/31/89/296393189.db2.gz KITVSSCLMACMCL-OOHWJJMZSA-N 3 0 305.466 2.548 20 0 DFADRP COc1cc(C)c(C[C@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1OC ZINC000423215849 296393326 /nfs/dbraw/zinc/39/33/26/296393326.db2.gz OZGXNOVYFMBXPN-JTUUTPGSSA-N 2 0 318.461 2.816 20 0 DFADRP COc1ccc([C@H](C)[C@H](C)[NH2+]C[C@@H]2CCC[NH2+]C2)cc1OC ZINC000423220964 296394126 /nfs/dbraw/zinc/39/41/26/296394126.db2.gz YYUXACCSBYDFTG-QLFBSQMISA-N 2 0 306.450 2.785 20 0 DFADRP c1ccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@@H]([NH2+]CC[C@@H]2CC[NH2+]C2)C3)cc1 ZINC000423240287 296395877 /nfs/dbraw/zinc/39/58/77/296395877.db2.gz CAVIZLPWONNQCG-FFGOWVMKSA-N 3 0 313.489 2.771 20 0 DFADRP Brc1ccc2c(c1)CC[C@@H]([NH2+]C[C@@H]1CCC[NH2+]1)C2 ZINC000423237214 296395502 /nfs/dbraw/zinc/39/55/02/296395502.db2.gz PQYKENWRDMIVDN-CABCVRRESA-N 2 0 309.251 2.648 20 0 DFADRP C[C@H]([NH2+]CC[C@H]1CC[NH2+]C1)c1ncc(Br)cc1F ZINC000423245003 296396574 /nfs/dbraw/zinc/39/65/74/296396574.db2.gz IIQREGVBDLKOQM-VHSXEESVSA-N 2 0 316.218 2.633 20 0 DFADRP [NH3+][C@H](CN[C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)c1ccccc1 ZINC000423244526 296396652 /nfs/dbraw/zinc/39/66/52/296396652.db2.gz HPHFSRRTKQBNQN-QWFCFKBJSA-N 2 0 323.440 2.532 20 0 DFADRP CCn1c(C)nnc1CN1CCC(C[NH+]2CCCCCC2)CC1 ZINC000624189161 399590628 /nfs/dbraw/zinc/59/06/28/399590628.db2.gz IFQLLFWSJZWRAF-UHFFFAOYSA-N 2 0 319.497 2.694 20 0 DFADRP CC(C)NC(=O)Nc1ccc([C@H](C)[NH2+]CC[C@@H]2CC[NH2+]C2)cc1 ZINC000423252376 296397187 /nfs/dbraw/zinc/39/71/87/296397187.db2.gz UCLLOJKJXMQRAO-GJZGRUSLSA-N 2 0 318.465 2.867 20 0 DFADRP Cn1ccnc1[C@@H]([NH2+]CC[C@@H]1CCC[NH2+]C1)c1cccc(F)c1 ZINC000423261710 296397838 /nfs/dbraw/zinc/39/78/38/296397838.db2.gz SSEGMUWPBQUXAX-YOEHRIQHSA-N 2 0 316.424 2.628 20 0 DFADRP C[C@H]([NH2+]CC[C@@H]1CCC[NH2+]C1)c1ccc(OCC[NH+](C)C)cc1 ZINC000423262318 296397891 /nfs/dbraw/zinc/39/78/91/296397891.db2.gz VBFNVDQMTPJNSC-IRXDYDNUSA-N 3 0 319.493 2.667 20 0 DFADRP CC(C)[C@@H]([NH3+])CNC1CC[NH+]([C@H](C)Cc2ccccc2)CC1 ZINC000423271335 296399227 /nfs/dbraw/zinc/39/92/27/296399227.db2.gz IYKRTRWJBZTMAR-APWZRJJASA-N 2 0 303.494 2.655 20 0 DFADRP COc1cc(C)c(C[C@H](C)[NH2+][C@@H]2CCC[C@H]2C[NH3+])cc1OC ZINC000423270277 296399334 /nfs/dbraw/zinc/39/93/34/296399334.db2.gz IAGDNKYWVCPEIL-OFQRWUPVSA-N 2 0 306.450 2.660 20 0 DFADRP C[C@H](C[NH2+]Cc1cn([C@@H]2CC[NH2+]C2)nn1)CC1CCCCC1 ZINC000629407027 399594966 /nfs/dbraw/zinc/59/49/66/399594966.db2.gz VRUNFNQSJWPARF-WMLDXEAASA-N 2 0 305.470 2.509 20 0 DFADRP COc1cc([C@H](C)[NH2+][C@H]2CCCC[C@@H]2C[NH3+])cc(OC)c1OC ZINC000423274220 296399479 /nfs/dbraw/zinc/39/94/79/296399479.db2.gz LRRIEKKQKQJCPQ-GUTXKFCHSA-N 2 0 322.449 2.881 20 0 DFADRP C[NH2+]CCOCC[NH2+][C@H]1CCC[C@H]1c1ccc(OC(C)C)cc1 ZINC000629404155 399595479 /nfs/dbraw/zinc/59/54/79/399595479.db2.gz LAMIQLQUPPABDE-OALUTQOASA-N 2 0 320.477 2.936 20 0 DFADRP C[NH2+]CCOCC[NH2+][C@@H](C)Cc1c(Cl)cccc1Cl ZINC000629401532 399593798 /nfs/dbraw/zinc/59/37/98/399593798.db2.gz CJSHCKGAQWRNNG-NSHDSACASA-N 2 0 305.249 2.750 20 0 DFADRP C[NH2+]C[C@H](C)C[NH2+][C@H](C)c1ccc(OC(F)F)c(OC)c1 ZINC000423267916 296398553 /nfs/dbraw/zinc/39/85/53/296398553.db2.gz FNKUXGBLDVHUHG-WDEREUQCSA-N 2 0 302.365 2.803 20 0 DFADRP COC(=O)C[C@@H]1CC[C@H]([NH2+]CC[NH2+]C2CCCCCC2)[C@H]1C ZINC000423276917 296399922 /nfs/dbraw/zinc/39/99/22/296399922.db2.gz NMNRFVZAGQBICJ-ZOBUZTSGSA-N 2 0 310.482 2.866 20 0 DFADRP COC(=O)c1coc([C@H](C)[NH2+]Cc2ccc([C@@H](C)[NH3+])cc2)c1 ZINC000423296810 296402038 /nfs/dbraw/zinc/40/20/38/296402038.db2.gz ZWRWFFOPTJPCKD-NEPJUHHUSA-N 2 0 302.374 2.937 20 0 DFADRP CC(C)(C)OC(=O)CCC[N@@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC000602846042 399598621 /nfs/dbraw/zinc/59/86/21/399598621.db2.gz OZYAWMHVNICDEP-UHFFFAOYSA-N 2 0 319.449 2.716 20 0 DFADRP C[NH+](C)C1(CNC(=O)C(C)(C)[C@@H]([NH3+])c2ccccc2)CCCC1 ZINC000423313236 296402862 /nfs/dbraw/zinc/40/28/62/296402862.db2.gz WOWZYWZEJNCKAW-INIZCTEOSA-N 2 0 317.477 2.703 20 0 DFADRP CC(C)(C)C1CCC([NH2+]Cc2cn([C@@H]3CC[NH2+]C3)nn2)CC1 ZINC000629418844 399599010 /nfs/dbraw/zinc/59/90/10/399599010.db2.gz NJKMGALJFIWNSL-ZBCRRDGASA-N 2 0 305.470 2.507 20 0 DFADRP c1cc2ncc(C[NH2+]Cc3cccc(C[NH+]4CCCC4)c3)cn2n1 ZINC000624213342 399599194 /nfs/dbraw/zinc/59/91/94/399599194.db2.gz WXWXRWBLQOSOPY-UHFFFAOYSA-N 2 0 321.428 2.615 20 0 DFADRP CC[NH+](CC)CCO[C@@H]1CC[N@H+](CCCc2cnccc2C)C1 ZINC000347864954 285215526 /nfs/dbraw/zinc/21/55/26/285215526.db2.gz OCNHYDMKWRAERI-LJQANCHMSA-N 2 0 319.493 2.755 20 0 DFADRP CC[NH+](CC)Cc1ccc(C(=O)NC[C@@H]2CC[N@@H+](C(C)C)C2)o1 ZINC000620799422 399601447 /nfs/dbraw/zinc/60/14/47/399601447.db2.gz NPMUMWITUQHOFG-HNNXBMFYSA-N 2 0 321.465 2.582 20 0 DFADRP CC[NH+](CC)Cc1cccc(CNC(=O)[C@@H](C(C)C)[C@H](C)[NH3+])c1 ZINC000423332240 296405571 /nfs/dbraw/zinc/40/55/71/296405571.db2.gz QQTYOXVDRUQQEB-YJBOKZPZSA-N 2 0 319.493 2.764 20 0 DFADRP C[C@H]1C[C@H](C[NH2+]CC2=CCCOC2)C[N@@H+]1Cc1ccccc1 ZINC000120355978 195149667 /nfs/dbraw/zinc/14/96/67/195149667.db2.gz IBYUHPCGALODIJ-QFBILLFUSA-N 2 0 300.446 2.833 20 0 DFADRP Cc1nn(C)c2sc([C@@H](C)[NH2+]C[C@@]3(C)CCC[NH2+]C3)cc12 ZINC000423332813 296405759 /nfs/dbraw/zinc/40/57/59/296405759.db2.gz HHTXKWOOLKEFRD-WBMJQRKESA-N 2 0 306.479 2.984 20 0 DFADRP Brc1cccc2c1CC[C@H]2[NH2+]CC1=CC[NH2+]CC1 ZINC000423349821 296407338 /nfs/dbraw/zinc/40/73/38/296407338.db2.gz XQIKXYWZUKPAKZ-OAHLLOKOSA-N 2 0 307.235 2.946 20 0 DFADRP COCCc1nc(C)c([C@H](C)[NH2+]CC2(C)CC[NH2+]CC2)s1 ZINC000423343862 296406804 /nfs/dbraw/zinc/40/68/04/296406804.db2.gz XKZGQYMXHGUMSF-LBPRGKRZSA-N 2 0 311.495 2.681 20 0 DFADRP COc1cc2c(cc1OC)[C@@H]([NH2+]C[C@]1(C)CCC[NH2+]C1)CC2 ZINC000423346083 296406928 /nfs/dbraw/zinc/40/69/28/296406928.db2.gz PMPSAFKJXXECSG-MAUKXSAKSA-N 2 0 304.434 2.670 20 0 DFADRP CCN1CCC[C@H]([NH2+][C@@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000347882881 285223562 /nfs/dbraw/zinc/22/35/62/285223562.db2.gz VGPMJNZYIZOSMM-IHPCNDPISA-N 2 0 315.505 2.971 20 0 DFADRP C[C@@H]1C[C@H](C[NH2+]CC2=CCCOC2)C[N@@H+]1Cc1ccccc1 ZINC000120355838 195150177 /nfs/dbraw/zinc/15/01/77/195150177.db2.gz IBYUHPCGALODIJ-VQIMIIECSA-N 2 0 300.446 2.833 20 0 DFADRP COc1ccc(CCC[NH2+][C@@H]2C[C@H](C)[N@H+](C)C[C@H]2C)cc1OC ZINC000155201674 197032557 /nfs/dbraw/zinc/03/25/57/197032557.db2.gz SQUOATIARKSAQX-HLLBOEOZSA-N 2 0 320.477 2.955 20 0 DFADRP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@H](C)c1ccc(F)c(Cl)c1 ZINC000155029466 197015143 /nfs/dbraw/zinc/01/51/43/197015143.db2.gz ICTMRJPJBAFFNM-CHWSQXEVSA-N 2 0 313.848 2.766 20 0 DFADRP CC(C)[C@H](C(=O)N1CCC[C@H](C[NH+]2CCCCCC2)C1)[C@@H](C)[NH3+] ZINC000423385493 296411425 /nfs/dbraw/zinc/41/14/25/296411425.db2.gz QUOZSICCQINWLF-KURKYZTESA-N 2 0 323.525 2.720 20 0 DFADRP CC(C)CC[C@H]([NH2+]C[C@H](N1CC[NH2+]CC1)C(F)(F)F)C1CC1 ZINC000423397588 296412470 /nfs/dbraw/zinc/41/24/70/296412470.db2.gz SPAREABEYJMBIH-GJZGRUSLSA-N 2 0 321.431 2.627 20 0 DFADRP C[C@H]([NH2+]CCN1CC[C@@H](O)C1)c1ccc(OC(C)(C)C)cc1 ZINC000624229782 399606131 /nfs/dbraw/zinc/60/61/31/399606131.db2.gz CNXBYAITBMLZIL-GOEBONIOSA-N 2 0 306.450 2.581 20 0 DFADRP COc1cc2[nH+]ccc(NC3CC[NH+](C)CC3)c2cc1OC ZINC000298171589 533178558 /nfs/dbraw/zinc/17/85/58/533178558.db2.gz FVFVZQHBTAHPIB-UHFFFAOYSA-N 2 0 301.390 2.758 20 0 DFADRP CC[C@@H]([NH2+]C[C@H](N1CC[NH2+]CC1)C(F)(F)F)c1cccs1 ZINC000423403166 296413142 /nfs/dbraw/zinc/41/31/42/296413142.db2.gz YZPSOUFQIKZWTC-YPMHNXCESA-N 2 0 321.412 2.625 20 0 DFADRP COCC1(C[NH2+][C@@H](C)c2cnn(C(C)(C)C)c2C)CC[NH2+]CC1 ZINC000423403502 296413211 /nfs/dbraw/zinc/41/32/11/296413211.db2.gz HXJYRVJXIBCPOF-AWEZNQCLSA-N 2 0 322.497 2.613 20 0 DFADRP CCCN(CCC[NH+](C)C)C(=O)[C@@H](C)[N@H+](C)Cc1ccccc1 ZINC000347914256 285241973 /nfs/dbraw/zinc/24/19/73/285241973.db2.gz WGUSONNCNOPLLG-QGZVFWFLSA-N 2 0 319.493 2.697 20 0 DFADRP COCC1(C[NH2+][C@@H](c2ccc(F)cn2)C(C)C)CC[NH2+]CC1 ZINC000423412976 296414152 /nfs/dbraw/zinc/41/41/52/296414152.db2.gz XUJGNYFQFFUHND-MRXNPFEDSA-N 2 0 309.429 2.524 20 0 DFADRP COc1ccc([C@H](C)[NH2+][C@@H](C)CCCC[NH3+])cc1NC(C)=O ZINC000423426739 296415529 /nfs/dbraw/zinc/41/55/29/296415529.db2.gz HXSHZFWDLCKDAZ-STQMWFEESA-N 2 0 307.438 2.822 20 0 DFADRP CC(C)[C@H]([NH2+]C[C@H]1C[NH2+]C[C@@H]1O)c1ccc(C(C)(C)C)cc1 ZINC000423426147 296415534 /nfs/dbraw/zinc/41/55/34/296415534.db2.gz MVMZHDKEQPYFML-NJAFHUGGSA-N 2 0 304.478 2.851 20 0 DFADRP COC(=O)[C@H](c1ccccc1C)[N@@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC000602878016 399612248 /nfs/dbraw/zinc/61/22/48/399612248.db2.gz OISOYRBBYDURNA-KRWDZBQOSA-N 2 0 316.445 2.627 20 0 DFADRP OCC1([NH2+][C@@H]2C[C@@H](C3CC3)N(Cc3ccccc3)C2)CCC1 ZINC000377389217 285248908 /nfs/dbraw/zinc/24/89/08/285248908.db2.gz DBLPQMLLGLKPSJ-MSOLQXFVSA-N 2 0 300.446 2.544 20 0 DFADRP Cc1c([C@H](C)[NH2+][C@@H](C)CCCC[NH3+])nnn1-c1ccc(F)cc1 ZINC000423439446 296416818 /nfs/dbraw/zinc/41/68/18/296416818.db2.gz SHDPFASPYJTQDO-STQMWFEESA-N 2 0 319.428 2.883 20 0 DFADRP CC[C@H]([NH2+]C[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1)[C@@H]1CCOC1 ZINC000423468125 296418831 /nfs/dbraw/zinc/41/88/31/296418831.db2.gz JKEVFJSNFIOOMC-JFRXWTBNSA-N 2 0 320.452 2.924 20 0 DFADRP C[C@@H](CCC[NH3+])[NH2+][C@@H](C)c1ccc(-n2cncn2)cc1Cl ZINC000423458269 296418112 /nfs/dbraw/zinc/41/81/12/296418112.db2.gz PXCVBUYUHIXVPZ-RYUDHWBXSA-N 2 0 307.829 2.699 20 0 DFADRP C[C@H]([NH2+]CCC[C@@H]1CCC[NH2+]1)c1ccc(OCC[NH+](C)C)cc1 ZINC000423476633 296419956 /nfs/dbraw/zinc/41/99/56/296419956.db2.gz JEBWSIYUHBBHDO-FUHWJXTLSA-N 3 0 319.493 2.810 20 0 DFADRP C[C@@H]([NH2+]CCC(=O)N1CCCCC1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000347940098 285258731 /nfs/dbraw/zinc/25/87/31/285258731.db2.gz XENLFRSMQURWND-SJORKVTESA-N 2 0 321.509 2.632 20 0 DFADRP CCO[C@@H]1C[C@H]([NH2+]CCC[C@@H]2CCC[NH2+]2)[C@H]1Oc1ccccc1 ZINC000423482628 296420569 /nfs/dbraw/zinc/42/05/69/296420569.db2.gz PKZFFEKRRHHOJF-GDAAHCPNSA-N 2 0 318.461 2.733 20 0 DFADRP COc1ccccc1NC(=O)C[C@@H](C)[NH2+]CCC[C@H]1CCC[NH2+]1 ZINC000423488333 296421256 /nfs/dbraw/zinc/42/12/56/296421256.db2.gz VHPVYRJEROIYRQ-CABCVRRESA-N 2 0 319.449 2.534 20 0 DFADRP CC(C)[C@@H]1C[C@@H]([NH2+]CC2([NH3+])C3CC4CC(C3)CC2C4)CCO1 ZINC000423524224 296425899 /nfs/dbraw/zinc/42/58/99/296425899.db2.gz JBNPJGMMNICJQE-AVGKFFPGSA-N 2 0 306.494 2.933 20 0 DFADRP COc1ccc(C[C@H](C)[NH2+][C@H]2CC[C@H](C[NH3+])C2)c(C)c1OC ZINC000423520890 296425566 /nfs/dbraw/zinc/42/55/66/296425566.db2.gz WQALMTFKWPPEOR-NOLJZWGESA-N 2 0 306.450 2.660 20 0 DFADRP Cc1n[nH]c(C)c1CN1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000120625404 195203379 /nfs/dbraw/zinc/20/33/79/195203379.db2.gz SMSAWTBNSSBSBE-QGZVFWFLSA-N 2 0 304.482 2.970 20 0 DFADRP Cc1n[nH]c(C)c1CN1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000120625567 195203911 /nfs/dbraw/zinc/20/39/11/195203911.db2.gz SMSAWTBNSSBSBE-KRWDZBQOSA-N 2 0 304.482 2.970 20 0 DFADRP COc1cccc2c1CC[C@H]([NH2+][C@@H]1CC[C@@H]3C[NH2+]C[C@@H]3C1)C2 ZINC000423539842 296427812 /nfs/dbraw/zinc/42/78/12/296427812.db2.gz IYDZQYMQINGCIB-TWMKSMIVSA-N 2 0 300.446 2.530 20 0 DFADRP COc1ccc(C[C@@H](C)[NH2+]CCC2=CC[NH2+]CC2)cc1OC ZINC000423549166 296428633 /nfs/dbraw/zinc/42/86/33/296428633.db2.gz HMHBSLWSMNQDDO-CQSZACIVSA-N 2 0 304.434 2.534 20 0 DFADRP CC[C@@H]1C[C@H]([NH2+][C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)CCO1 ZINC000423553972 296428945 /nfs/dbraw/zinc/42/89/45/296428945.db2.gz RBTYTJKTYGIGDY-LFEHRJTNSA-N 2 0 316.445 2.790 20 0 DFADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1ccc[nH]c1=O ZINC000624257723 399617897 /nfs/dbraw/zinc/61/78/97/399617897.db2.gz NXWCKUXPJAKCBR-QAPCUYQASA-N 2 0 311.429 2.787 20 0 DFADRP COc1ccc(C)cc1[C@H](C)[NH2+]C[C@H](C)CN1CC[NH+](C)CC1 ZINC000120908385 195262022 /nfs/dbraw/zinc/26/20/22/195262022.db2.gz OAUVMUNFHYEURD-IRXDYDNUSA-N 2 0 319.493 2.538 20 0 DFADRP CCC[NH+]1CCC(C[NH2+]Cc2cc(OC)c(O)c(OC)c2)CC1 ZINC000348019011 285301471 /nfs/dbraw/zinc/30/14/71/285301471.db2.gz OWMFOIHBKNRGQF-UHFFFAOYSA-N 2 0 322.449 2.621 20 0 DFADRP C[C@@H](NC[C@@H]1CCC[N@@H+]1C)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000624270416 399623256 /nfs/dbraw/zinc/62/32/56/399623256.db2.gz QOFXJAMPHBLNSU-QRQLOZEOSA-N 2 0 301.478 2.581 20 0 DFADRP Cc1ccc(C[NH+]2CCC(C[NH+]3CCN(C)CC3)CC2)cc1F ZINC000289559930 221067325 /nfs/dbraw/zinc/06/73/25/221067325.db2.gz YLHGLMBHKDOVGM-UHFFFAOYSA-N 2 0 319.468 2.594 20 0 DFADRP C[NH+](C)Cc1cccc(NC(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)c1 ZINC000289620421 221108845 /nfs/dbraw/zinc/10/88/45/221108845.db2.gz RJKGICBYGOXIQL-SFHVURJKSA-N 2 0 321.440 2.899 20 0 DFADRP C[NH+](C)CCCN(CCC[NH+](C)C)Cc1cccc2[nH]ccc21 ZINC000289678441 221148711 /nfs/dbraw/zinc/14/87/11/221148711.db2.gz DUSOROKZFZPARZ-UHFFFAOYSA-N 2 0 316.493 2.873 20 0 DFADRP CCCC[N@H+](C)C[C@H](C)NC(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000289720792 221177715 /nfs/dbraw/zinc/17/77/15/221177715.db2.gz JOYCDFSRVASQNI-HNNXBMFYSA-N 2 0 320.481 2.990 20 0 DFADRP CO[C@H]1C[C@H]([NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC000624299039 399630737 /nfs/dbraw/zinc/63/07/37/399630737.db2.gz CEMRYQAETAUMDG-QOFQOLBTSA-N 2 0 300.446 2.949 20 0 DFADRP Cc1cccc2c1C[C@H]([NH2+][C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1)CO2 ZINC000629515262 399631240 /nfs/dbraw/zinc/63/12/40/399631240.db2.gz RERLMUXGFHLICM-CWLKWCNXSA-N 2 0 300.446 2.809 20 0 DFADRP FC1(F)Oc2cccc(CC[NH2+][C@@H]3CC[C@H]4C[NH2+]C[C@H]4C3)c2O1 ZINC000629516225 399632367 /nfs/dbraw/zinc/63/23/67/399632367.db2.gz ZBBJFYXSUGEHQG-BFHYXJOUSA-N 2 0 324.371 2.528 20 0 DFADRP O[C@@H]1CCC[C@H]1[NH+]1CCC([NH2+][C@H]2CCc3cc(F)ccc32)CC1 ZINC000271499264 285319448 /nfs/dbraw/zinc/31/94/48/285319448.db2.gz LSZCYZQLWQPKGU-IPMKNSEASA-N 2 0 318.436 2.780 20 0 DFADRP C[NH+]1CCN(c2ncccc2C[NH2+][C@H]2CC[C@@H]2C(C)(C)C)CC1 ZINC000348053818 285319894 /nfs/dbraw/zinc/31/98/94/285319894.db2.gz IQHGRCKHHPHNNU-IRXDYDNUSA-N 2 0 316.493 2.748 20 0 DFADRP C[C@H]([NH3+])[C@H]1COCC[C@H]1[NH2+]Cc1c(Cl)oc2ccccc21 ZINC000629522984 399634850 /nfs/dbraw/zinc/63/48/50/399634850.db2.gz JGJCMCIWMRPKNA-ZLKJLUDKSA-N 2 0 308.809 2.928 20 0 DFADRP CC[C@@H]1[NH2+]CC[C@H]1N[C@@H]1CCC[N@H+](Cc2ccccc2)[C@H]1C ZINC000629528317 399636583 /nfs/dbraw/zinc/63/65/83/399636583.db2.gz WFWYWSZDAJYFRV-GDAAHCPNSA-N 2 0 301.478 2.770 20 0 DFADRP CC[C@@H]1[NH2+]CC[C@H]1C(=O)NC[C@@H](c1ccsc1)[NH+](CC)CC ZINC000289957024 221341528 /nfs/dbraw/zinc/34/15/28/221341528.db2.gz MPEPGYLLOVHISA-PMPSAXMXSA-N 2 0 323.506 2.635 20 0 DFADRP OCc1ccc(F)c(C[N@@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)c1 ZINC000629532035 399637733 /nfs/dbraw/zinc/63/77/33/399637733.db2.gz JCAQWQBWVRHTLJ-JKSUJKDBSA-N 2 0 306.425 2.530 20 0 DFADRP CC(C)CCO[C@H]1CC[C@H]([NH2+][C@@H]2CCOC[C@H]2[C@H](C)[NH3+])CC1 ZINC000629531411 399637969 /nfs/dbraw/zinc/63/79/69/399637969.db2.gz KDLIZZQNICXVIC-KFGODFMUSA-N 2 0 312.498 2.702 20 0 DFADRP c1n[nH]cc1CC[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000289982717 221359684 /nfs/dbraw/zinc/35/96/84/221359684.db2.gz XZBOAURBJWFCKS-REPLKXPHSA-N 2 0 310.445 2.737 20 0 DFADRP C[C@H]([NH2+]CCOCCC[NH3+])c1cccc(OC(F)(F)F)c1 ZINC000629536196 399639886 /nfs/dbraw/zinc/63/98/86/399639886.db2.gz GAWNXVKJASXMHU-NSHDSACASA-N 2 0 306.328 2.601 20 0 DFADRP C[C@@H]([NH2+]CCOCCC[NH3+])c1ccc(Br)cc1F ZINC000629540583 399640007 /nfs/dbraw/zinc/64/00/07/399640007.db2.gz WLFCHNKSUCLIMV-SNVBAGLBSA-N 2 0 319.218 2.604 20 0 DFADRP COc1ccc([C@@H]2CCCC[C@@H]2[NH2+]CCOCCC[NH3+])cc1F ZINC000629542259 399641958 /nfs/dbraw/zinc/64/19/58/399641958.db2.gz XGPAHLQNOIEKIR-RDJZCZTQSA-N 2 0 324.440 2.816 20 0 DFADRP C[C@H]([NH2+]CCOCCC[NH3+])c1ccc(F)cc1Br ZINC000629541515 399641594 /nfs/dbraw/zinc/64/15/94/399641594.db2.gz PYBKGJBQQMAMKY-JTQLQIEISA-N 2 0 319.218 2.604 20 0 DFADRP CC(C)[C@H](C[NH2+]C[C@@H](O)C[NH+]1CCCC1)Cc1ccccc1 ZINC000629576636 399654000 /nfs/dbraw/zinc/65/40/00/399654000.db2.gz NVHPMRAAIIBUNI-RBUKOAKNSA-N 2 0 304.478 2.548 20 0 DFADRP C[C@@H]1CCCc2ccccc2[C@@H]1[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000629576266 399654175 /nfs/dbraw/zinc/65/41/75/399654175.db2.gz WYAQJZUVFZDUGP-HHXXYDBFSA-N 2 0 302.462 2.746 20 0 DFADRP COc1ccc([C@H](C[NH3+])C[N@H+]2C[C@@H](C)C(F)(F)[C@@H](C)C2)cc1 ZINC000629552802 399646369 /nfs/dbraw/zinc/64/63/69/399646369.db2.gz QJIPYHDUARNZQC-VNHYZAJKSA-N 2 0 312.404 2.961 20 0 DFADRP COC[C@@H](CCC[NH3+])[NH2+]Cc1ccccc1CC(F)(F)F ZINC000629554616 399646950 /nfs/dbraw/zinc/64/69/50/399646950.db2.gz KVFOZMVWCCAGKI-CQSZACIVSA-N 2 0 304.356 2.635 20 0 DFADRP Cc1ccc(CC[N@@H+]2CC[C@H](C(F)(F)F)[C@H](C[NH3+])C2)cc1 ZINC000629560650 399649608 /nfs/dbraw/zinc/64/96/08/399649608.db2.gz GEVPELHYWWDSRU-CABCVRRESA-N 2 0 300.368 2.997 20 0 DFADRP CO[C@H](C[N@@H+]1CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C1)C1CCCC1 ZINC000629563770 399650392 /nfs/dbraw/zinc/65/03/92/399650392.db2.gz RALGISYYBWJDQB-MGPQQGTHSA-N 2 0 308.388 2.651 20 0 DFADRP CO[C@H](C[N@@H+]1CC[C@H](C(F)(F)F)[C@H](C[NH3+])C1)C1CCCC1 ZINC000629563768 399651015 /nfs/dbraw/zinc/65/10/15/399651015.db2.gz RALGISYYBWJDQB-HZSPNIEDSA-N 2 0 308.388 2.651 20 0 DFADRP C[NH2+]CCOCCN(C)[C@@H](C)c1ccccc1Br ZINC000629572194 399652040 /nfs/dbraw/zinc/65/20/40/399652040.db2.gz XPRBDVOYFGJBBY-LBPRGKRZSA-N 2 0 315.255 2.678 20 0 DFADRP COc1ccc(CN2CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C2)cc1F ZINC000629568866 399652342 /nfs/dbraw/zinc/65/23/42/399652342.db2.gz VHDFQFZJWPWGPN-NWDGAFQWSA-N 2 0 320.330 2.793 20 0 DFADRP C[NH2+]CCOCCN(C)Cc1csc(-c2ccc(F)cc2)n1 ZINC000629571287 399652485 /nfs/dbraw/zinc/65/24/85/399652485.db2.gz KLMJGYUYUMIOHY-UHFFFAOYSA-N 2 0 323.437 2.617 20 0 DFADRP Fc1ccc(/C=C\C[NH+]2CCC(CO[C@H]3CC[NH2+]C3)CC2)cc1 ZINC000629672631 399684875 /nfs/dbraw/zinc/68/48/75/399684875.db2.gz NQGONVVWXCXZBE-AHUOSZMWSA-N 2 0 318.436 2.929 20 0 DFADRP c1nc(C2CC2)c(C[NH+]2CCC(CO[C@@H]3CC[NH2+]C3)CC2)s1 ZINC000629673541 399684924 /nfs/dbraw/zinc/68/49/24/399684924.db2.gz UKQQHAIQUVWFKZ-OAHLLOKOSA-N 2 0 321.490 2.611 20 0 DFADRP Cc1noc([C@@H](C)N2CC[C@@H](CNc3cccc(C)[nH+]3)C2)n1 ZINC000624484670 399686466 /nfs/dbraw/zinc/68/64/66/399686466.db2.gz RXZYPBQMWRBHNU-OCCSQVGLSA-N 2 0 301.394 2.576 20 0 DFADRP CC[NH+](CC)CCOc1ccc(-c2cnn(CCC[NH3+])c2)cc1 ZINC000629705357 399696306 /nfs/dbraw/zinc/69/63/06/399696306.db2.gz KMLZYMCKMVNUNZ-UHFFFAOYSA-N 2 0 316.449 2.620 20 0 DFADRP C[NH+](C)Cc1cccc(-c2ccc(CN3CC[NH2+]CC3)cc2)c1 ZINC000629706045 399696337 /nfs/dbraw/zinc/69/63/37/399696337.db2.gz CRMBCHVNZFIYNR-UHFFFAOYSA-N 2 0 309.457 2.820 20 0 DFADRP C[NH2+]CC(=O)Nc1ccc(-c2cccc(C[N@H+](C)C3CC3)c2)cn1 ZINC000629708765 399697762 /nfs/dbraw/zinc/69/77/62/399697762.db2.gz PKDJTKCCQQSOET-UHFFFAOYSA-N 2 0 324.428 2.501 20 0 DFADRP c1cnn(CC[N@H+](Cc2ccsc2)[C@H]2CC23CC[NH2+]CC3)c1 ZINC000262024260 257257528 /nfs/dbraw/zinc/25/75/28/257257528.db2.gz ZIESKBSNTUVSPH-INIZCTEOSA-N 2 0 316.474 2.589 20 0 DFADRP C[NH+](C)CCc1ccc(-c2ccc(C[C@H](C[NH3+])CO)cc2)cc1 ZINC000629730910 399705330 /nfs/dbraw/zinc/70/53/30/399705330.db2.gz AKQXYGQWPSEFNV-GOSISDBHSA-N 2 0 312.457 2.567 20 0 DFADRP C[NH+](C)Cc1ccc(F)c(-c2ccc(C[C@H](C[NH3+])CO)cc2)c1 ZINC000629736427 399708791 /nfs/dbraw/zinc/70/87/91/399708791.db2.gz GKZLACXJYOIWNP-MRXNPFEDSA-N 2 0 316.420 2.664 20 0 DFADRP C[NH2+][C@@H](CO)c1cccc(-c2ccc(F)c(C[NH+](C)C)c2)c1 ZINC000629738554 399709688 /nfs/dbraw/zinc/70/96/88/399709688.db2.gz OOVXDFBYEAZRKD-SFHVURJKSA-N 2 0 302.393 2.807 20 0 DFADRP COCC[C@H](C)[NH+]1CCC(CC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000088546714 542527741 /nfs/dbraw/zinc/52/77/41/542527741.db2.gz UPEFYFIYWOXLNH-GVDBMIGSSA-N 2 0 312.498 2.623 20 0 DFADRP C[NH+]1CCC(C[NH2+][C@H]2CN(Cc3ccccc3)C(C)(C)C2)CC1 ZINC000090185057 542535012 /nfs/dbraw/zinc/53/50/12/542535012.db2.gz QVFXGXUWDCDFPL-LJQANCHMSA-N 2 0 315.505 2.971 20 0 DFADRP C[NH+](C)Cc1ccc(CNC(=O)[C@@H]2CCCCCC[C@@H]2[NH3+])cc1 ZINC000423719085 296441751 /nfs/dbraw/zinc/44/17/51/296441751.db2.gz BVOZUSVYNHDJCP-MSOLQXFVSA-N 2 0 317.477 2.662 20 0 DFADRP C[C@@H]([NH2+][C@@H](C)C1CC[NH+](C)CC1)c1cn(-c2ccccc2)nn1 ZINC000090450315 542536848 /nfs/dbraw/zinc/53/68/48/542536848.db2.gz YQNXKBLJGIKCOV-LSDHHAIUSA-N 2 0 313.449 2.648 20 0 DFADRP C[C@@H]1C[C@H]([N@H+](C)Cc2ccc(OCC[NH+](C)C)cc2)CCN1C ZINC000093643821 542553480 /nfs/dbraw/zinc/55/34/80/542553480.db2.gz RMTPEBFDIUYJTP-SJLPKXTDSA-N 2 0 319.493 2.542 20 0 DFADRP CCC1(CO)CC[NH+](Cc2ccc(OCC[NH+](C)C)cc2)CC1 ZINC000093591546 542553582 /nfs/dbraw/zinc/55/35/82/542553582.db2.gz YJFXKGSZWMFTEK-UHFFFAOYSA-N 2 0 320.477 2.612 20 0 DFADRP C[NH+](C)CCOc1ccc(C[N@H+](C)C[C@@H]2CCCCO2)cc1 ZINC000092427466 542547606 /nfs/dbraw/zinc/54/76/06/542547606.db2.gz GCSZXIRVUJKQEA-SFHVURJKSA-N 2 0 306.450 2.628 20 0 DFADRP OC[C@@H]1CC[C@H]([NH2+][C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)C1 ZINC000295039846 224397381 /nfs/dbraw/zinc/39/73/81/224397381.db2.gz MNVXLULSBYGWQB-LCWAXJCOSA-N 2 0 314.473 2.648 20 0 DFADRP FC(F)(F)[C@@H]1C[C@@H]([NH2+]C2CC[NH+](C3CCC3)CC2)CCO1 ZINC000348088315 285338431 /nfs/dbraw/zinc/33/84/31/285338431.db2.gz SAJRTAUBCXHAPU-JSGCOSHPSA-N 2 0 306.372 2.703 20 0 DFADRP C[C@@H]([NH2+]C[C@H]1CCCN1Cc1ccccc1)C1CC[NH+](C)CC1 ZINC000119134477 542570353 /nfs/dbraw/zinc/57/03/53/542570353.db2.gz OLOBADVFSSEBDA-YLJYHZDGSA-N 2 0 315.505 2.971 20 0 DFADRP CCN(CC)[C@@H](C[NH2+][C@H](C)C1CC[NH+](C)CC1)c1ccco1 ZINC000119119883 542570533 /nfs/dbraw/zinc/57/05/33/542570533.db2.gz JGGCBVBEIURNNW-WBVHZDCISA-N 2 0 307.482 2.982 20 0 DFADRP C[C@H](C(=O)Nc1ccc2c(c1)C[NH2+]CC2)[C@@H]([NH3+])c1ccccc1 ZINC000295235422 224593020 /nfs/dbraw/zinc/59/30/20/224593020.db2.gz SHDJGQPGHKDPID-SCLBCKFNSA-N 2 0 309.413 2.607 20 0 DFADRP C[N@@H+](Cc1cccc(C[NH+]2CCCCC2)c1)C[C@H]1C[C@@H](O)C1 ZINC000626047307 399733227 /nfs/dbraw/zinc/73/32/27/399733227.db2.gz IODQEMXPLISFOM-KDURUIRLSA-N 2 0 302.462 2.875 20 0 DFADRP C[C@@H]([NH3+])c1ccc(C(=O)N(C)[C@@H](C)C2CC[NH+](C)CC2)cc1 ZINC000423759963 296444262 /nfs/dbraw/zinc/44/42/62/296444262.db2.gz MMONMHVPKRLCDW-KGLIPLIRSA-N 2 0 303.450 2.509 20 0 DFADRP CO[C@H]1CCN([C@@H]2CCC[C@@H]2[NH2+]Cc2cc(F)cc(F)c2)C1 ZINC000626050660 399734975 /nfs/dbraw/zinc/73/49/75/399734975.db2.gz VKZIWCQIVASTNX-YESZJQIVSA-N 2 0 310.388 2.696 20 0 DFADRP CCN(CC)C(=O)C[C@H](C)[NH2+]Cc1ccc(F)c(C[NH+](C)C)c1 ZINC000120960625 195271727 /nfs/dbraw/zinc/27/17/27/195271727.db2.gz CPNHIHYGRIEHIU-AWEZNQCLSA-N 2 0 323.456 2.624 20 0 DFADRP CC[C@H]1[NH2+]CC[C@H]1C(=O)Nc1cccc(CC[NH+]2CCCC2)c1 ZINC000423773430 296445979 /nfs/dbraw/zinc/44/59/79/296445979.db2.gz MOQYTCREVUNIPG-QZTJIDSGSA-N 2 0 315.461 2.652 20 0 DFADRP Cc1cc(C[N@@H+](C)CC2CC[NH+](C[C@@H](C)O)CC2)ccc1F ZINC000121113140 195295361 /nfs/dbraw/zinc/29/53/61/195295361.db2.gz OMARNPKGANROAF-OAHLLOKOSA-N 2 0 308.441 2.659 20 0 DFADRP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@H]2CCc3ccccc32)CC1 ZINC000121168209 195302122 /nfs/dbraw/zinc/30/21/22/195302122.db2.gz XLWQJTJKZSTMOB-APWZRJJASA-N 2 0 301.478 2.537 20 0 DFADRP CN(CC1CCCCC1)C(=O)C[NH+]1CCC(CC[NH+](C)C)CC1 ZINC000121611186 195316545 /nfs/dbraw/zinc/31/65/45/195316545.db2.gz LEXLIOIETUUTRF-UHFFFAOYSA-N 2 0 323.525 2.689 20 0 DFADRP COCC[N@H+](C)CCCC1CC[NH+](C[C@H]2CCCCO2)CC1 ZINC000122191738 195416710 /nfs/dbraw/zinc/41/67/10/195416710.db2.gz YFDJBTBADLQHAK-GOSISDBHSA-N 2 0 312.498 2.626 20 0 DFADRP C[N@@H+]1CCC[C@H]1CC[NH+]1CC[C@@](O)(Cc2cccc(Cl)c2)C1 ZINC000348130120 285369903 /nfs/dbraw/zinc/36/99/03/285369903.db2.gz UUOKTRMAAVIWBH-ZWKOTPCHSA-N 2 0 322.880 2.804 20 0 DFADRP COC[C@H](CC(C)C)[NH2+]CCCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000358035331 285371069 /nfs/dbraw/zinc/37/10/69/285371069.db2.gz IHNZRJBXYYACKJ-ZACQAIPSSA-N 2 0 300.487 2.527 20 0 DFADRP CC[N@H+](CCCc1cnn(C)c1)Cc1ccc(C[NH+](C)C)cc1 ZINC000626062480 399741639 /nfs/dbraw/zinc/74/16/39/399741639.db2.gz UCGABFRDCVQHED-UHFFFAOYSA-N 2 0 314.477 2.936 20 0 DFADRP C[C@@H]([NH2+]CCC(C)(C)CO)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000294736417 533372740 /nfs/dbraw/zinc/37/27/40/533372740.db2.gz GTAZPDPNQLCMIB-SJLPKXTDSA-N 2 0 304.478 2.895 20 0 DFADRP C[C@@H]([NH2+]C[C@@H](C)CCCO)c1ccc(OCC[NH+](C)C)cc1 ZINC000296327549 533408790 /nfs/dbraw/zinc/40/87/90/533408790.db2.gz HCPSQJNIKMLDAH-JKSUJKDBSA-N 2 0 308.466 2.686 20 0 DFADRP C[C@@H]([NH2+]C[C@@H]1CCC[N@H+](Cc2ccccc2)C1)c1cnn(C)c1 ZINC000309696085 533418470 /nfs/dbraw/zinc/41/84/70/533418470.db2.gz DZORIRUKZMBUEA-AEFFLSMTSA-N 2 0 312.461 2.983 20 0 DFADRP C[C@@H]([NH2+]Cc1ccc(F)c(C[NH+](C)C)c1)C1CC[NH+](C)CC1 ZINC000120982210 542581435 /nfs/dbraw/zinc/58/14/35/542581435.db2.gz PHXPBLMVFWBWJS-CQSZACIVSA-N 3 0 307.457 2.707 20 0 DFADRP C[C@]12CCCC[C@H]1C[NH+]2CC(O)C[N@H+]1C[C@@H]2CCCC[C@@]21C ZINC000626103652 399754285 /nfs/dbraw/zinc/75/42/85/399754285.db2.gz JYTPXXJOVIRETG-CAMMJAKZSA-N 2 0 306.494 2.876 20 0 DFADRP Cn1cc(CCC[NH+]2CCC(CCC[NH+]3CCCC3)CC2)cn1 ZINC000121683897 542586164 /nfs/dbraw/zinc/58/61/64/542586164.db2.gz KFPZECVMHALORC-UHFFFAOYSA-N 2 0 318.509 2.941 20 0 DFADRP CC[N@H+](C)Cc1cccc(C[NH2+][C@H](C)C2CC[NH+](C)CC2)c1 ZINC000124008758 542595008 /nfs/dbraw/zinc/59/50/08/542595008.db2.gz QSFXTWKNNQYBNE-MRXNPFEDSA-N 3 0 303.494 2.958 20 0 DFADRP C[NH+]1CCC(C[NH2+]Cc2ccnn2CCc2ccccc2)CC1 ZINC000621334411 399757996 /nfs/dbraw/zinc/75/79/96/399757996.db2.gz DXENEWXHHZOJRQ-UHFFFAOYSA-N 2 0 312.461 2.557 20 0 DFADRP C[C@@H]([NH2+]C[C@@H](c1ccc(F)cc1)N(C)C)C1CC[NH+](C)CC1 ZINC000124875598 542599738 /nfs/dbraw/zinc/59/97/38/542599738.db2.gz ZRMQMQRPUVMRKU-KDOFPFPSSA-N 2 0 307.457 2.748 20 0 DFADRP C[N@@H+](Cc1ccc(OCC[NH+]2CCCC2)cc1)C[C@H]1CCCO1 ZINC000128121689 542616833 /nfs/dbraw/zinc/61/68/33/542616833.db2.gz ALWUPEKOQPYJMA-LJQANCHMSA-N 2 0 318.461 2.772 20 0 DFADRP CCC[NH+]1CCC([NH2+]C[C@H](C)Oc2ccccc2OC)CC1 ZINC000129531272 542625059 /nfs/dbraw/zinc/62/50/59/542625059.db2.gz LAHCVWWTJRNQNH-HNNXBMFYSA-N 2 0 306.450 2.927 20 0 DFADRP CC[NH+](CC)[C@@H](C(=O)N[C@H](C[NH3+])C1CCCC1)c1ccccc1 ZINC000423937058 296467979 /nfs/dbraw/zinc/46/79/79/296467979.db2.gz DVTPLKFSGLTSGJ-QZTJIDSGSA-N 2 0 317.477 2.703 20 0 DFADRP C[C@H]([NH2+]CC[C@@H]1CCCO1)c1ccc(OCC[NH+](C)C)cc1 ZINC000131911391 542639676 /nfs/dbraw/zinc/63/96/76/542639676.db2.gz CFMZWXBMSYMHFX-RDJZCZTQSA-N 2 0 306.450 2.847 20 0 DFADRP C[C@H]([NH2+]CC[C@H]1CCCO1)c1ccc(OCC[NH+](C)C)cc1 ZINC000131911776 542639715 /nfs/dbraw/zinc/63/97/15/542639715.db2.gz CFMZWXBMSYMHFX-DOTOQJQBSA-N 2 0 306.450 2.847 20 0 DFADRP COc1cc2c(cc1C[NH2+][C@H](C)C1CC[NH+](C)CC1)O[C@@H](C)C2 ZINC000132112926 542640429 /nfs/dbraw/zinc/64/04/29/542640429.db2.gz IQJYEQKVYZAWRZ-UONOGXRCSA-N 2 0 318.461 2.839 20 0 DFADRP C[NH+](C)Cc1cccc(C(=O)N2CC[NH2+]C[C@@H]2c2ccccc2)c1 ZINC000423991219 296472873 /nfs/dbraw/zinc/47/28/73/296472873.db2.gz DNJIPHZOUCQYHJ-LJQANCHMSA-N 2 0 323.440 2.535 20 0 DFADRP Cc1ccccc1[C@@H]([C@@H](C)NC(=O)C[N@H+](C)C1CCC1)[NH+](C)C ZINC000629990565 399784292 /nfs/dbraw/zinc/78/42/92/399784292.db2.gz CTGCDPNDJIQARQ-DNVCBOLYSA-N 2 0 317.477 2.587 20 0 DFADRP C/C=C/C[C@H]1CCC[N@H+](CC(=O)NC2CC[NH+](C(C)C)CC2)C1 ZINC000626162672 399782159 /nfs/dbraw/zinc/78/21/59/399782159.db2.gz XPQXQYBRTHZFJJ-BDUNBXCCSA-N 2 0 321.509 2.654 20 0 DFADRP C[C@H](CN[C@@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1)[NH+](C)C1CC1 ZINC000340232554 131239939 /nfs/dbraw/zinc/23/99/39/131239939.db2.gz QFYJKCGXZXOGGY-SZVBFZGTSA-N 2 0 301.478 2.894 20 0 DFADRP C[C@H]1CC[N@H+](CCC(=O)Nc2ccccc2Cl)C[C@@H]1C[NH3+] ZINC000163840495 132125004 /nfs/dbraw/zinc/12/50/04/132125004.db2.gz TUPQAZHVKQARCS-STQMWFEESA-N 2 0 309.841 2.585 20 0 DFADRP C[C@H](CCCC(F)(F)F)[NH2+]CC(C)(C)N1CC[NH+](C)CC1 ZINC000163238725 542740992 /nfs/dbraw/zinc/74/09/92/542740992.db2.gz UMYWVTZWCKUXEU-CYBMUJFWSA-N 2 0 309.420 2.723 20 0 DFADRP C[C@H]([NH2+]Cc1ccc2c(c1)OCCCO2)C1CC[NH+](C)CC1 ZINC000161964495 542734706 /nfs/dbraw/zinc/73/47/06/542734706.db2.gz KLKKURFDUIPQEM-AWEZNQCLSA-N 2 0 304.434 2.668 20 0 DFADRP [NH3+]Cc1ccc(C(=O)Nc2cccc(C[NH+]3CCCCC3)c2)o1 ZINC000165135593 542748956 /nfs/dbraw/zinc/74/89/56/542748956.db2.gz IPNYLYZJLKUHPD-UHFFFAOYSA-N 2 0 313.401 2.977 20 0 DFADRP c1nn(-c2ccccc2)cc1CC[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000166099181 542749407 /nfs/dbraw/zinc/74/94/07/542749407.db2.gz WDQYRIPPTSVXSI-IEBWSBKVSA-N 2 0 310.445 2.631 20 0 DFADRP C[NH+]1CCN(C(C)(C)C[NH2+]Cc2ccc(F)c(Cl)c2)CC1 ZINC000163768938 542744329 /nfs/dbraw/zinc/74/43/29/542744329.db2.gz WLVKFXGGTBYMOZ-UHFFFAOYSA-N 2 0 313.848 2.595 20 0 DFADRP C[C@@H]([NH2+][C@H]1CCN(c2c(F)cccc2F)C1)C1CC[NH+](C)CC1 ZINC000167515649 542753795 /nfs/dbraw/zinc/75/37/95/542753795.db2.gz DNFXYRQDOKATHW-HIFRSBDPSA-N 2 0 323.431 2.863 20 0 DFADRP C[C@@H]([NH2+]C1(CNC(=O)[C@@H]2CCC[NH2+]2)CCCC1)c1ccccc1 ZINC000168665049 542754109 /nfs/dbraw/zinc/75/41/09/542754109.db2.gz FOCBZTIKJFMSDN-WBVHZDCISA-N 2 0 315.461 2.518 20 0 DFADRP CCC(CC)(CNC(=O)[C@H]1CCC[NH2+]1)[NH2+][C@@H](C)c1ccccc1 ZINC000168760417 542754283 /nfs/dbraw/zinc/75/42/83/542754283.db2.gz ACACEFFOPHNABC-DOTOQJQBSA-N 2 0 317.477 2.764 20 0 DFADRP C[NH+](C)[C@@H]1CCCN(C(=O)CC[C@@H]([NH3+])CC2CCCCC2)C1 ZINC000424139286 296487243 /nfs/dbraw/zinc/48/72/43/296487243.db2.gz ACUBYPMWQSUIKH-IAGOWNOFSA-N 2 0 309.498 2.617 20 0 DFADRP CC(C)n1cncc1C[NH2+]Cc1cccc(OCC[NH+](C)C)c1 ZINC000424143606 296487746 /nfs/dbraw/zinc/48/77/46/296487746.db2.gz ZXWRDUNNFZNYBK-UHFFFAOYSA-N 2 0 316.449 2.694 20 0 DFADRP Cc1cc(F)c(C[NH2+]CC2(O)CC[NH+](C(C)C)CC2)c(F)c1 ZINC000424160446 296489188 /nfs/dbraw/zinc/48/91/88/296489188.db2.gz WTXUVYTYLOWVHA-UHFFFAOYSA-N 2 0 312.404 2.598 20 0 DFADRP Cc1n[nH]cc1[C@@H](C)[NH2+]Cc1cccc(OCC[NH+](C)C)c1 ZINC000180152198 542783061 /nfs/dbraw/zinc/78/30/61/542783061.db2.gz FLDNYFDECWEMOA-CYBMUJFWSA-N 2 0 302.422 2.509 20 0 DFADRP C[C@@H]1CC[NH2+][C@H](C)[C@H]1NC(=O)CC[C@@H]([NH3+])CC1CCCCC1 ZINC000424179704 296490877 /nfs/dbraw/zinc/49/08/77/296490877.db2.gz TYAAUTFIVAUIFF-SZXPJGKVSA-N 2 0 309.498 2.567 20 0 DFADRP CC1([NH+]2CCCC2)CCN(Cc2cccc3c2CC[NH2+]C3)CC1 ZINC000630072218 399805780 /nfs/dbraw/zinc/80/57/80/399805780.db2.gz BLTREBXSBQSTTB-UHFFFAOYSA-N 2 0 313.489 2.783 20 0 DFADRP [NH3+][C@@H](CCC(=O)NCCC[C@@H]1CCC[NH2+]1)CC1CCCCC1 ZINC000424189384 296491705 /nfs/dbraw/zinc/49/17/05/296491705.db2.gz KNHQQLWWJKQRNF-IRXDYDNUSA-N 2 0 309.498 2.713 20 0 DFADRP C[C@H]1C[C@H](Nc2ccccc2C[NH+]2CCC(O)CC2)CC[N@@H+]1C ZINC000182249530 542793876 /nfs/dbraw/zinc/79/38/76/542793876.db2.gz MKYYUHNWEZNMTI-DOTOQJQBSA-N 2 0 317.477 2.538 20 0 DFADRP Cc1cn2c(C[NH2+]CC3(C)CC[NH+](C)CC3)c(C)nc2s1 ZINC000227330370 542889178 /nfs/dbraw/zinc/88/91/78/542889178.db2.gz ORTYQRPQGDLZCW-UHFFFAOYSA-N 2 0 306.479 2.834 20 0 DFADRP C[C@H](CC(=O)N(CC[NH+](C)C)c1ccccc1)C1CC[NH2+]CC1 ZINC000237514153 542902781 /nfs/dbraw/zinc/90/27/81/542902781.db2.gz NAVRJVXMCLNTDY-MRXNPFEDSA-N 2 0 317.477 2.607 20 0 DFADRP [NH3+][C@@H]1CCC[C@H]1CC(=O)NCC1([NH+]2CCCCC2)CCCCC1 ZINC000261952802 542953479 /nfs/dbraw/zinc/95/34/79/542953479.db2.gz HWGAWJGFTQHQTR-DLBZAZTESA-N 2 0 321.509 2.809 20 0 DFADRP CCN(C(=O)C[C@H](c1ccccc1)[NH+](C)C)[C@@H]1CC[N@H+](CC)C1 ZINC000617924916 399834268 /nfs/dbraw/zinc/83/42/68/399834268.db2.gz BBVBETHKZGMTSO-QZTJIDSGSA-N 2 0 317.477 2.622 20 0 DFADRP C[C@@H](c1nc(C2([NH3+])CCCCC2)no1)[C@@H]([NH3+])c1ccccc1 ZINC000424336904 296503545 /nfs/dbraw/zinc/50/35/45/296503545.db2.gz JWUOSFLWBFNLRS-TZMCWYRMSA-N 2 0 300.406 2.991 20 0 DFADRP O[C@@H]1CCCC[C@H]1[N@@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000285531097 542998282 /nfs/dbraw/zinc/99/82/82/542998282.db2.gz KWYUFRWKRCDSKE-AQNXPRMDSA-N 2 0 314.473 2.888 20 0 DFADRP CCOC(=O)C1([C@H](C)[NH2+][C@@H]2CCC[C@H](C3CC3)C2)CC[NH2+]CC1 ZINC000424385974 296506372 /nfs/dbraw/zinc/50/63/72/296506372.db2.gz XBLBIOSFXNUAMH-BHYGNILZSA-N 2 0 322.493 2.866 20 0 DFADRP COc1cc2c(cc1OC)[C@H]([NH2+]C1C[C@H]3CC[C@@H](C1)[N@H+]3C)CC2 ZINC000296651693 543035801 /nfs/dbraw/zinc/03/58/01/543035801.db2.gz YXKAFRQOPKNTRW-UCMJJCQDSA-N 2 0 316.445 2.906 20 0 DFADRP CCN(C(=O)[C@@H]1CC[NH+](C2CCCCC2)C1)[C@H]1CC[N@H+](CC)C1 ZINC000617928286 399837599 /nfs/dbraw/zinc/83/75/99/399837599.db2.gz MVZIYMYNEHGLQH-AEFFLSMTSA-N 2 0 321.509 2.584 20 0 DFADRP [NH3+][C@@H]1CCC[C@@H](NC[C@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC000309754141 543065957 /nfs/dbraw/zinc/06/59/57/543065957.db2.gz WRFPMLSSJZKESJ-GUDVDZBRSA-N 2 0 301.478 2.758 20 0 DFADRP COC1CC([NH2+][C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]23)C1 ZINC000309888648 543066642 /nfs/dbraw/zinc/06/66/42/543066642.db2.gz CTKWEANBLXCBBF-ARZKPCJCSA-N 2 0 300.446 2.664 20 0 DFADRP [NH3+][C@@H]1CCC[C@H](NC[C@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC000309754145 543065465 /nfs/dbraw/zinc/06/54/65/543065465.db2.gz WRFPMLSSJZKESJ-QRVBRYPASA-N 2 0 301.478 2.758 20 0 DFADRP CCOc1ccc(OCC[N@@H+]2CCC[C@H]([C@H]3CCC[NH2+]3)C2)cc1 ZINC000321352630 543085207 /nfs/dbraw/zinc/08/52/07/543085207.db2.gz YHCLDQOGHLHERD-QFBILLFUSA-N 2 0 318.461 2.928 20 0 DFADRP CCOc1ccc(OCC[N@@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)cc1 ZINC000321352626 543085503 /nfs/dbraw/zinc/08/55/03/543085503.db2.gz YHCLDQOGHLHERD-APWZRJJASA-N 2 0 318.461 2.928 20 0 DFADRP CSC1(C[NH2+][C@@H](C)Cc2ccn(C(C)C)n2)CC[NH+](C)CC1 ZINC000353604865 146684737 /nfs/dbraw/zinc/68/47/37/146684737.db2.gz AWGVHPJLPGEWMS-HNNXBMFYSA-N 2 0 324.538 2.812 20 0 DFADRP COc1cc([C@@H](C)[NH2+]CC(C)(C)N2CC[NH+](C)CC2)ccc1F ZINC000322370617 543089142 /nfs/dbraw/zinc/08/91/42/543089142.db2.gz LXVYFDDYAVAANF-CQSZACIVSA-N 2 0 323.456 2.511 20 0 DFADRP C[C@H]1CCCC[N@@H+]1CCC(=O)NCc1ccccc1C[NH+](C)C ZINC000339275487 543143770 /nfs/dbraw/zinc/14/37/70/543143770.db2.gz LHXVWIRQTGGFME-INIZCTEOSA-N 2 0 317.477 2.629 20 0 DFADRP Clc1cccnc1N1CC[C@H]([NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)C1 ZINC000339073690 543139290 /nfs/dbraw/zinc/13/92/90/543139290.db2.gz DDULYRXTHFMGQC-SOUVJXGZSA-N 2 0 320.868 2.530 20 0 DFADRP CCO[C@H](C[N@@H+]1CC[C@H](CNc2cc(C)ccn2)C1)C1CC1 ZINC000625156099 399855033 /nfs/dbraw/zinc/85/50/33/399855033.db2.gz UXGICYBQPHFWMW-NVXWUHKLSA-N 2 0 303.450 2.939 20 0 DFADRP C[C@H]1CCCC[N@@H+]1CCC(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000339244662 543142118 /nfs/dbraw/zinc/14/21/18/543142118.db2.gz ALYUCHPKGPSZQE-HNNXBMFYSA-N 2 0 303.450 2.951 20 0 DFADRP C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)CC[NH+]1CCCC[C@H]1C ZINC000339251297 543142137 /nfs/dbraw/zinc/14/21/37/543142137.db2.gz CQENFCLBQXNLIX-XMTFNYHQSA-N 2 0 323.525 2.734 20 0 DFADRP CC[N@@H+]1CC[C@@H](N(C)CC(=O)N[C@H](C)c2ccccc2)C[C@H]1C ZINC000625215016 399862081 /nfs/dbraw/zinc/86/20/81/399862081.db2.gz YHFZEUNBGWPRGE-JFIYKMOQSA-N 2 0 317.477 2.668 20 0 DFADRP CC(C)[C@H]1CC[C@@H]1[NH2+]Cc1ccncc1OCCC[NH+](C)C ZINC000343945638 543169767 /nfs/dbraw/zinc/16/97/67/543169767.db2.gz WJKMMNPGVQYWMN-SJORKVTESA-N 2 0 305.466 2.936 20 0 DFADRP C[NH+]1CCC(C[NH2+][C@@H]2CC[C@H]2C2CC2)(N2CCCCC2)CC1 ZINC000348102594 543183368 /nfs/dbraw/zinc/18/33/68/543183368.db2.gz NYLLZDIKUGTNRY-ZWKOTPCHSA-N 2 0 305.510 2.715 20 0 DFADRP C[NH+]1CCC(C[NH2+][C@H]2CC[C@H]2C2CC2)(N2CCCCC2)CC1 ZINC000348102593 543183537 /nfs/dbraw/zinc/18/35/37/543183537.db2.gz NYLLZDIKUGTNRY-ROUUACIJSA-N 2 0 305.510 2.715 20 0 DFADRP CO[C@]1(C)CCC[N@H+](CC[C@H](C)[NH+]2CCC[C@](C)(OC)C2)C1 ZINC000348247787 543184113 /nfs/dbraw/zinc/18/41/13/543184113.db2.gz WOXPYJCOCNZRFP-KSZLIROESA-N 2 0 312.498 2.767 20 0 DFADRP CC[N@@H+]1CC[C@@H](N(C)CC(=O)N[C@H](C)c2ccccc2)[C@H](C)C1 ZINC000625256879 399868416 /nfs/dbraw/zinc/86/84/16/399868416.db2.gz VOISQSXHVBTRTB-JFIYKMOQSA-N 2 0 317.477 2.526 20 0 DFADRP CC(C)[C@@H]1CC[C@H]1[NH2+]CCCN1CCN(c2cc[nH+]cc2)CC1 ZINC000353495488 543235739 /nfs/dbraw/zinc/23/57/39/543235739.db2.gz HWUZNBNZNCLNKD-RBUKOAKNSA-N 2 0 316.493 2.618 20 0 DFADRP FC(F)(F)c1cccc(OCCC[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)c1 ZINC000359273791 543272381 /nfs/dbraw/zinc/27/23/81/543272381.db2.gz JJQGBPMBSTWKIC-STQMWFEESA-N 2 0 314.351 2.626 20 0 DFADRP C[C@@H]1C[C@H](NC[C@@H]2CCCC[NH2+]2)CC[N@@H+]1Cc1ccccc1 ZINC000379659412 543297408 /nfs/dbraw/zinc/29/74/08/543297408.db2.gz ZVQFQEOSGLUAPX-QRQLOZEOSA-N 2 0 301.478 2.771 20 0 DFADRP C[C@H]([NH2+]C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C1CC[NH+](C)CC1 ZINC000380953233 543297512 /nfs/dbraw/zinc/29/75/12/543297512.db2.gz SGQYRABOAVXFTM-HKUYNNGSSA-N 3 0 315.505 2.828 20 0 DFADRP COCC[N@H+](Cc1ccccc1)Cc1cccc2c1CC[NH2+]C2 ZINC000384360830 543299498 /nfs/dbraw/zinc/29/94/98/543299498.db2.gz MRFADGJMVIVQLQ-UHFFFAOYSA-N 2 0 310.441 2.981 20 0 DFADRP COc1cc2cc[nH+]c(NC3CC[NH+](C)CC3)c2cc1OC ZINC000389555083 543304779 /nfs/dbraw/zinc/30/47/79/543304779.db2.gz QZTAMCKXUHOBMD-UHFFFAOYSA-N 2 0 301.390 2.758 20 0 DFADRP CCC[NH+]1CCC(N[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)CC1 ZINC000389794624 543305467 /nfs/dbraw/zinc/30/54/67/543305467.db2.gz SOIDRABGOANWHZ-YLJYHZDGSA-N 2 0 315.505 2.971 20 0 DFADRP C[C@@H]1C[C@H]([NH2+]CC(C)(C)N2CC[NH+](C)CC2)c2ccccc21 ZINC000390129604 543305694 /nfs/dbraw/zinc/30/56/94/543305694.db2.gz HBKVRWGDLMMMLD-QAPCUYQASA-N 2 0 301.478 2.851 20 0 DFADRP CN1CCC[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC000390637268 543306487 /nfs/dbraw/zinc/30/64/87/543306487.db2.gz GHSWXHAGRUUNRO-UMQXSMKFSA-N 2 0 313.489 2.866 20 0 DFADRP COc1cc2ccnc(NCC[N@H+]3CC=CCC3)c2cc1OC ZINC000392830184 543309416 /nfs/dbraw/zinc/30/94/16/543309416.db2.gz OBYIUIFIGLPUMM-UHFFFAOYSA-N 2 0 313.401 2.926 20 0 DFADRP C[C@@H]([NH2+][C@H](C)c1cccc(OCC[NH+](C)C)c1)c1cnn(C)c1 ZINC000163867698 145223603 /nfs/dbraw/zinc/22/36/03/145223603.db2.gz AWIUJWYFYSKGPL-HUUCEWRRSA-N 2 0 316.449 2.772 20 0 DFADRP C[C@H]1CCCC[N@@H+]1Cc1ccc(NC(=O)[C@@H]2CC[NH2+]C2)cc1 ZINC000164570526 145225390 /nfs/dbraw/zinc/22/53/90/145225390.db2.gz QAYNOXULCGSAAW-GOEBONIOSA-N 2 0 301.434 2.609 20 0 DFADRP COC[C@H]([NH2+]C[C@H]1CC[N@H+](CCc2ccccc2)C1)C1CC1 ZINC000165348851 145229393 /nfs/dbraw/zinc/22/93/93/145229393.db2.gz RATNOQAJSFUNSQ-MJGOQNOKSA-N 2 0 302.462 2.566 20 0 DFADRP C[C@H]([NH3+])[C@H]1CCN(Cc2nc(-c3ccc(Cl)cc3)no2)C1 ZINC000168676239 145244155 /nfs/dbraw/zinc/24/41/55/145244155.db2.gz IEKIWIPWSPGTJS-JQWIXIFHSA-N 2 0 306.797 2.559 20 0 DFADRP CCc1ccc(C[N@@H+]2CCC[C@@H](CN3CCOCC3)C2)cc1 ZINC000172248695 145297618 /nfs/dbraw/zinc/29/76/18/145297618.db2.gz AIPPNVOJSUYQAS-IBGZPJMESA-N 2 0 302.462 2.793 20 0 DFADRP [NH3+][C@H]1CCC[C@@H](NC2CC[NH+](CCc3ccc(F)cc3)CC2)C1 ZINC000414925360 543327887 /nfs/dbraw/zinc/32/78/87/543327887.db2.gz LQMJQAHQFUBNSP-PKOBYXMFSA-N 2 0 319.468 2.692 20 0 DFADRP CCCC[C@H](CC)CC[N@@H+]1CCC[C@@H](n2cc(C[NH3+])nn2)C1 ZINC000415103158 543328629 /nfs/dbraw/zinc/32/86/29/543328629.db2.gz CSLJEWPPRJBKDQ-DOTOQJQBSA-N 2 0 307.486 2.980 20 0 DFADRP CN(Cc1ccc(Br)cn1)C[C@@H]1CCC[N@H+](C)C1 ZINC000172582918 145307670 /nfs/dbraw/zinc/30/76/70/145307670.db2.gz IWEIRPUPGVHOHZ-GFCCVEGCSA-N 2 0 312.255 2.618 20 0 DFADRP C[C@@H]([NH2+]C(C)(C)CNC(=O)C1CC[NH+](C)CC1)c1ccccc1 ZINC000172768896 145315820 /nfs/dbraw/zinc/31/58/20/145315820.db2.gz NQVGJJMWRSYVHJ-OAHLLOKOSA-N 2 0 317.477 2.574 20 0 DFADRP CC[C@@H]1[C@@H](C(=O)Nc2ccc3c(c2)CC[C@@H]3[NH+](C)C)CC[N@@H+]1C ZINC000633318938 399886472 /nfs/dbraw/zinc/88/64/72/399886472.db2.gz FJMQIXZQXBTVBO-KSZLIROESA-N 2 0 315.461 2.904 20 0 DFADRP C[NH+](C)Cc1cccc(-c2ccc3c(c2)CC[C@@]([NH3+])(CO)C3)c1 ZINC000630488392 399893675 /nfs/dbraw/zinc/89/36/75/399893675.db2.gz YLJWQKUKXKICNP-FQEVSTJZSA-N 2 0 310.441 2.594 20 0 DFADRP C[NH+](C)CCc1ccc(-c2ccc3c(c2)CC[C@@]([NH3+])(CO)C3)cc1 ZINC000630497899 399894803 /nfs/dbraw/zinc/89/48/03/399894803.db2.gz SPXRUNPJKJZVKH-NRFANRHFSA-N 2 0 324.468 2.636 20 0 DFADRP C[NH2+]CCOCCNc1cc[nH+]c2cc(C(F)(F)F)ccc12 ZINC000630530437 399899105 /nfs/dbraw/zinc/89/91/05/399899105.db2.gz JXGIQPSVMALEJU-UHFFFAOYSA-N 2 0 313.323 2.902 20 0 DFADRP Cc1ccc(C[NH2+]C(C)(C)CCN2CC[NH+](C)CC2)c(F)c1 ZINC000631113783 399982958 /nfs/dbraw/zinc/98/29/58/399982958.db2.gz LTEHVAFGVMREKI-UHFFFAOYSA-N 2 0 307.457 2.640 20 0 DFADRP CCN1CC[NH+](CCCC[NH2+]Cc2ccc(C)cc2F)CC1 ZINC000631041478 399967930 /nfs/dbraw/zinc/96/79/30/399967930.db2.gz KDVVCCFKWCXRKR-UHFFFAOYSA-N 2 0 307.457 2.641 20 0 DFADRP Cc1scc(C[NH2+]C2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)c1C ZINC000631090608 399978841 /nfs/dbraw/zinc/97/88/41/399978841.db2.gz HMFAQXDSAAYSFW-IAGOWNOFSA-N 2 0 308.491 2.832 20 0 DFADRP CC[C@@H]1[C@@H](C(=O)N2CCC[C@H]([NH+]3[C@H](C)CC[C@@H]3C)C2)CC[N@@H+]1C ZINC000630853202 399939466 /nfs/dbraw/zinc/93/94/66/399939466.db2.gz SBECENJVEVTEHT-FLXSYLCISA-N 2 0 321.509 2.581 20 0 DFADRP Cc1ccc([C@@H](C)C[NH2+]C[C@@H](C(C)C)N2CC[NH+](C)CC2)cc1 ZINC000628201507 400000473 /nfs/dbraw/zinc/00/04/73/400000473.db2.gz IJUJVLRJGKFNEZ-ICSRJNTNSA-N 2 0 317.521 2.960 20 0 DFADRP Cc1ccc([C@@H](C)C[NH2+]CC(C)(C)N2CC[NH+](C)CC2)cc1 ZINC000628201360 400000755 /nfs/dbraw/zinc/00/07/55/400000755.db2.gz CEZGYIMRQBOSPO-KRWDZBQOSA-N 2 0 303.494 2.714 20 0 DFADRP C[C@]1(C[NH2+]C2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)CCCS1 ZINC000628228504 400004324 /nfs/dbraw/zinc/00/43/24/400004324.db2.gz QVVLHRGYTGNJDL-IXDOHACOSA-N 2 0 312.523 2.630 20 0 DFADRP C[C@@H]([NH2+]CC1CC[NH+](C2CCOCC2)CC1)C1CC(F)(F)C1 ZINC000628337081 400022256 /nfs/dbraw/zinc/02/22/56/400022256.db2.gz WGFNHWRAZAJLSS-CYBMUJFWSA-N 2 0 316.436 2.901 20 0 DFADRP CCC[C@@H]([NH2+]CCCN1CC[NH+](CC)CC1)c1cc(C)ccn1 ZINC000631565532 400051802 /nfs/dbraw/zinc/05/18/02/400051802.db2.gz GFPQNLACNRAAMT-GOSISDBHSA-N 2 0 318.509 2.848 20 0 DFADRP CCO[C@@H](CC[NH+](C)C)C[NH2+][C@H]1CCc2cc(OC)ccc21 ZINC000631586806 400055334 /nfs/dbraw/zinc/05/53/34/400055334.db2.gz JTSBJZIADNRSRZ-WMZOPIPTSA-N 2 0 306.450 2.629 20 0 DFADRP C([NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCC2)[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000631647249 400061491 /nfs/dbraw/zinc/06/14/91/400061491.db2.gz GBFCVNKMYJCEPZ-XDNAFOTISA-N 2 0 304.478 2.656 20 0 DFADRP C[C@H]([NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C)c1cnn(C)c1 ZINC000631668194 400064449 /nfs/dbraw/zinc/06/44/49/400064449.db2.gz WBQILNCIORDPIS-SOLBZPMBSA-N 2 0 312.461 2.839 20 0 DFADRP Cc1ccc(C[NH+]2CC[C@H](N[C@@H]3CC[N@H+](C)[C@H](C)C3)C2)cc1 ZINC000631749938 400072211 /nfs/dbraw/zinc/07/22/11/400072211.db2.gz YBQKFDARVRYHOF-QRQLOZEOSA-N 2 0 301.478 2.642 20 0 DFADRP C[C@@H]([NH2+][C@@H]1CCCC[C@@H]1O)c1cccc(OCC[NH+](C)C)c1 ZINC000631811083 400077266 /nfs/dbraw/zinc/07/72/66/400077266.db2.gz PAXTXTXBISOWJQ-OLMNPRSZSA-N 2 0 306.450 2.581 20 0 DFADRP c1csc(CN(C[C@H]2CCCCO2)[C@H]2CC23CC[NH2+]CC3)n1 ZINC000631824571 400077778 /nfs/dbraw/zinc/07/77/78/400077778.db2.gz KHGIUVVKXWJAEB-CABCVRRESA-N 2 0 321.490 2.656 20 0 DFADRP C[C@H]1C[NH+](CCCC[NH2+]Cc2ncc(Cl)s2)C[C@H](C)O1 ZINC000349567510 285889446 /nfs/dbraw/zinc/88/94/46/285889446.db2.gz XUJGANMVBDDZPG-RYUDHWBXSA-N 2 0 317.886 2.776 20 0 DFADRP C[C@@H]1C[N@H+](Cc2cccc(OCC(F)(F)F)c2)C[C@H]1C[NH3+] ZINC000631839825 400078844 /nfs/dbraw/zinc/07/88/44/400078844.db2.gz LKCSOFUDYNYBNN-DGCLKSJQSA-N 2 0 302.340 2.654 20 0 DFADRP Cc1ccc(C[NH+]2CCC(OCC[NH+]3CCCC3)CC2)c(C)n1 ZINC000187106141 145745545 /nfs/dbraw/zinc/74/55/45/145745545.db2.gz KQJFXCATTRXNHI-UHFFFAOYSA-N 2 0 317.477 2.775 20 0 DFADRP COC[C@H](CCC[NH3+])[NH2+][C@H](C)c1cccc(Br)c1 ZINC000234696921 146018059 /nfs/dbraw/zinc/01/80/59/146018059.db2.gz MQOMVAZXWNBEKQ-RISCZKNCSA-N 2 0 315.255 2.854 20 0 DFADRP C[C@@H]([NH2+]CCOCC[NH+](C)C)c1ccc(Br)s1 ZINC000235211340 146019653 /nfs/dbraw/zinc/01/96/53/146019653.db2.gz XODKWLWNTPYUBN-SNVBAGLBSA-N 2 0 321.284 2.739 20 0 DFADRP C[C@@H](C[NH2+]C[C@@H](O)C[NH+]1CCC(C)CC1)c1ccc(F)cc1 ZINC000236710217 146024155 /nfs/dbraw/zinc/02/41/55/146024155.db2.gz MTCPDAVQBAPUGD-MAUKXSAKSA-N 2 0 308.441 2.612 20 0 DFADRP CCCC[C@@H]([NH3+])C(=O)N1CC[C@H](C)[N@H+](Cc2ccccc2)CC1 ZINC000236723374 146024638 /nfs/dbraw/zinc/02/46/38/146024638.db2.gz BMHZTFKKIYAVGL-FUHWJXTLSA-N 2 0 317.477 2.627 20 0 DFADRP CC(C)C[C@H]([NH3+])C(=O)Nc1cccc(CC[NH+]2CCCC2)c1 ZINC000236747771 146025643 /nfs/dbraw/zinc/02/56/43/146025643.db2.gz QZBYYJKSBHUGCS-KRWDZBQOSA-N 2 0 303.450 2.637 20 0 DFADRP CCCC[C@H]([NH3+])C(=O)N(CC)Cc1ccc(C[NH+](C)C)cc1 ZINC000236761096 146026039 /nfs/dbraw/zinc/02/60/39/146026039.db2.gz UFJGHVSZCKCFAK-KRWDZBQOSA-N 2 0 305.466 2.614 20 0 DFADRP CCCC[C@@H]([NH3+])C(=O)NCc1cccc(C[NH+](CC)CC)c1 ZINC000236773328 146027231 /nfs/dbraw/zinc/02/72/31/146027231.db2.gz RBIVDVDXNGNDKZ-QGZVFWFLSA-N 2 0 305.466 2.662 20 0 DFADRP CCN(C(=O)[C@H](C)C[NH2+]C)[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000237047607 146035385 /nfs/dbraw/zinc/03/53/85/146035385.db2.gz GMNACYPXEQXIOG-RYRKJORJSA-N 2 0 317.477 2.526 20 0 DFADRP CC1(C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)COC1 ZINC000245681738 146093575 /nfs/dbraw/zinc/09/35/75/146093575.db2.gz JAIXPRKSCHMOHJ-BCDXTJNWSA-N 2 0 300.446 2.808 20 0 DFADRP C[NH+](C)CCCN[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000245744278 146099106 /nfs/dbraw/zinc/09/91/06/146099106.db2.gz SESOHOMVQCOFPK-LDLYASANSA-N 2 0 301.478 2.723 20 0 DFADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@H]2CCN(C)c3ccccc32)[C@H](C)C1 ZINC000245924280 146110920 /nfs/dbraw/zinc/11/09/20/146110920.db2.gz RTWXHBLWFPCEDW-NUJGCVRESA-N 2 0 301.478 2.930 20 0 DFADRP CC[N@@H+]1CC[C@@H](N(C)Cc2cn3cc(C)ccc3n2)[C@@H](C)C1 ZINC000246213720 146131209 /nfs/dbraw/zinc/13/12/09/146131209.db2.gz YVVHKXMZUDOLFD-DOTOQJQBSA-N 2 0 300.450 2.805 20 0 DFADRP CC[N@@H+]1CC[C@H]([NH2+]CCCOc2cccc(OC)c2)[C@@H](C)C1 ZINC000246446668 146138852 /nfs/dbraw/zinc/13/88/52/146138852.db2.gz OWJABDJTTGFTHX-YJBOKZPZSA-N 2 0 306.450 2.784 20 0 DFADRP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)[C@H](C)c2ccc(F)cc2)CC1 ZINC000247374210 146168294 /nfs/dbraw/zinc/16/82/94/146168294.db2.gz VAYDGHIINLCEJS-HUUCEWRRSA-N 2 0 308.441 2.911 20 0 DFADRP CC[NH+](CC)CCOCC[NH2+][C@H]1Cc2ccc(Cl)cc2C1 ZINC000349716105 285921889 /nfs/dbraw/zinc/92/18/89/285921889.db2.gz DYNPRUGPJNEMGH-KRWDZBQOSA-N 2 0 310.869 2.755 20 0 DFADRP C[C@@H]1C[C@@H](NC2C[C@H]3CC[C@@H](C2)[NH+]3C)C[N@@H+]1Cc1ccccc1 ZINC000249031026 146182851 /nfs/dbraw/zinc/18/28/51/146182851.db2.gz RCRABHYFWIYBCA-VJNRDTIXSA-N 2 0 313.489 2.864 20 0 DFADRP O[C@@H]1CC[C@@H](C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC000249041519 146184009 /nfs/dbraw/zinc/18/40/09/146184009.db2.gz UVUYSVDQSNTNHD-LTFPLMDUSA-N 2 0 314.473 2.933 20 0 DFADRP C[C@H]([NH2+][C@@H]1C[C@@H]2OCCC[C@H]12)c1cccc(OCC[NH+](C)C)c1 ZINC000252010025 146220816 /nfs/dbraw/zinc/22/08/16/146220816.db2.gz XMZSJVGRZLZCBZ-PIKADFDJSA-N 2 0 318.461 2.845 20 0 DFADRP C[C@H]1C[C@@H](C[N@H+](C)C2CCN(Cc3ccccc3)CC2)CC[NH2+]1 ZINC000261544197 146237885 /nfs/dbraw/zinc/23/78/85/146237885.db2.gz IOTVUSFFSAVSLR-HKUYNNGSSA-N 2 0 315.505 2.971 20 0 DFADRP [NH3+][C@@H]1C[C@H](N[C@H]2CC[N@H+](Cc3ccccc3)C2)c2ccccc21 ZINC000261555151 146239806 /nfs/dbraw/zinc/23/98/06/146239806.db2.gz UUDHVEJSSMBFKT-DBVUQKKJSA-N 2 0 307.441 2.995 20 0 DFADRP C[C@H]([NH2+][C@@H]1CCC[NH2+]CC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000261545457 146239915 /nfs/dbraw/zinc/23/99/15/146239915.db2.gz KAULMUCOKZAHJD-QXAKKESOSA-N 3 0 301.478 2.629 20 0 DFADRP C[C@@H](C(=O)Nc1cccc2ccccc21)N1CC[C@](C)(C[NH3+])C1 ZINC000261637202 146250569 /nfs/dbraw/zinc/25/05/69/146250569.db2.gz FZGRXHCXXNLYQF-IFXJQAMLSA-N 2 0 311.429 2.838 20 0 DFADRP [NH3+][C@@H]1CCC[C@H]2C[N@H+](Cc3ccnn3-c3ccc(F)cc3)C[C@@H]21 ZINC000261644301 146252154 /nfs/dbraw/zinc/25/21/54/146252154.db2.gz AMPCTJWVFBRSSZ-DOPJRALCSA-N 2 0 314.408 2.571 20 0 DFADRP C[C@]1(C[NH3+])CCN(Cc2cc(Cl)c3c(c2)OCCCO3)C1 ZINC000261664717 146256908 /nfs/dbraw/zinc/25/69/08/146256908.db2.gz KVMAKVJROQHQDY-MRXNPFEDSA-N 2 0 310.825 2.672 20 0 DFADRP Cc1cc(C)c(NC(=O)[C@@H](C)N2CC[C@@](C)(C[NH3+])C2)c(C)c1 ZINC000261671987 146257927 /nfs/dbraw/zinc/25/79/27/146257927.db2.gz JENPUULQKIPTQQ-QAPCUYQASA-N 2 0 303.450 2.610 20 0 DFADRP CC[NH+](CC)CC1CCN(C(=O)C[C@@H](C)[C@@H]2CCC[NH2+]C2)CC1 ZINC000261674186 146258122 /nfs/dbraw/zinc/25/81/22/146258122.db2.gz HLPOUIXPRHQSNB-SJLPKXTDSA-N 2 0 323.525 2.593 20 0 DFADRP CN(C[C@@]1(C)CC[NH2+]C1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000261732898 146268005 /nfs/dbraw/zinc/26/80/05/146268005.db2.gz HJFCOGVKBXEFAR-MOPGFXCFSA-N 2 0 301.478 2.582 20 0 DFADRP COCC1(CNc2cc(C(F)(F)F)ccn2)CC[NH2+]CC1 ZINC000261790725 146278023 /nfs/dbraw/zinc/27/80/23/146278023.db2.gz XTUVBOPPXFJMNH-UHFFFAOYSA-N 2 0 303.328 2.529 20 0 DFADRP CC[NH+](CC)CC1CCN(C(=O)C[C@@H]([NH3+])c2ccccc2)CC1 ZINC000261800817 146279236 /nfs/dbraw/zinc/27/92/36/146279236.db2.gz UUDKVGHPFFHJKX-GOSISDBHSA-N 2 0 317.477 2.657 20 0 DFADRP CC(C)c1ccccc1NC(=O)C[NH+]1CCC([C@H](C)[NH3+])CC1 ZINC000261816685 146281496 /nfs/dbraw/zinc/28/14/96/146281496.db2.gz AIWORDLPYAZKKA-AWEZNQCLSA-N 2 0 303.450 2.808 20 0 DFADRP C[C@H]([NH3+])CC(=O)NCc1ccccc1C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000261814188 146281982 /nfs/dbraw/zinc/28/19/82/146281982.db2.gz MALSKJNQHAACDZ-XHSDSOJGSA-N 2 0 317.477 2.518 20 0 DFADRP Cc1ccc(C[N@@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)c(-c2cnn(C)c2)c1 ZINC000261817047 146282024 /nfs/dbraw/zinc/28/20/24/146282024.db2.gz IBDITNVLLNRCGJ-ZYSHUDEJSA-N 2 0 310.445 2.565 20 0 DFADRP C[C@]1(CN2CCC(Oc3ccc(F)cc3F)CC2)CC[NH2+]C1 ZINC000261879607 146293096 /nfs/dbraw/zinc/29/30/96/146293096.db2.gz QQVSRVDVTYBPIA-KRWDZBQOSA-N 2 0 310.388 2.808 20 0 DFADRP c1cn(Cc2ccccc2)c(C[N@@H+]2CCC3(C2)CC[NH2+]CC3)n1 ZINC000261920007 146301595 /nfs/dbraw/zinc/30/15/95/146301595.db2.gz BMJJSEFENFAIDQ-UHFFFAOYSA-N 2 0 310.445 2.507 20 0 DFADRP COc1ccc(C[N@@H+]2CCCC[C@H]2CC[NH3+])cc1OC(F)F ZINC000261937468 146306300 /nfs/dbraw/zinc/30/63/00/146306300.db2.gz KPILSPBLCNHNSK-ZDUSSCGKSA-N 2 0 314.376 3.000 20 0 DFADRP CC(C)c1nc(CC[NH2+][C@@H]2CCC[C@H]2[C@@H]2COCCN2)cs1 ZINC000261942226 146307568 /nfs/dbraw/zinc/30/75/68/146307568.db2.gz MXSUGMJMRRZWAX-OAGGEKHMSA-N 2 0 323.506 2.556 20 0 DFADRP CCC[N@H+](C[C@@H]1COc2ccccc2O1)C[C@]1(C)CC[NH2+]C1 ZINC000261970121 146311733 /nfs/dbraw/zinc/31/17/33/146311733.db2.gz IFINKKUAHXYQKJ-CRAIPNDOSA-N 2 0 304.434 2.538 20 0 DFADRP C[NH2+]CCC1CC[NH+](CC(=O)Nc2cccc(C)c2C)CC1 ZINC000261982458 146315109 /nfs/dbraw/zinc/31/51/09/146315109.db2.gz ROVLEJJOTIVTRY-UHFFFAOYSA-N 2 0 303.450 2.563 20 0 DFADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]Cc1ccc2c(c1)OCCO2 ZINC000262121555 146335590 /nfs/dbraw/zinc/33/55/90/146335590.db2.gz KTJZBXDXYHZRLV-ZBFHGGJFSA-N 2 0 304.434 2.858 20 0 DFADRP CCC[C@](C)([NH3+])C(=O)NC[C@H](Cc1ccccc1)[NH+](CC)CC ZINC000262136642 146337854 /nfs/dbraw/zinc/33/78/54/146337854.db2.gz OASODSNIUYLWAR-HKUYNNGSSA-N 2 0 319.493 2.573 20 0 DFADRP [NH3+]CC[C@@H]1CCC[N@H+](CCOc2ccc(F)cc2Cl)C1 ZINC000262145376 146339162 /nfs/dbraw/zinc/33/91/62/146339162.db2.gz QJNNWBKAWVZFQM-LBPRGKRZSA-N 2 0 300.805 2.919 20 0 DFADRP COCc1cccc(OCC2(C[N@@H+]3CC[C@@H](C[NH3+])C3)CCC2)c1 ZINC000262191806 146341887 /nfs/dbraw/zinc/34/18/87/146341887.db2.gz YTFUNWWSDHIPNU-KRWDZBQOSA-N 2 0 318.461 2.663 20 0 DFADRP CCOc1ccccc1OCC[N@@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000262305296 146350558 /nfs/dbraw/zinc/35/05/58/146350558.db2.gz OZXWFJQVSKTYQQ-XHSDSOJGSA-N 2 0 304.434 2.523 20 0 DFADRP C[NH2+]CCC1CC[NH+](CC(=O)Nc2cc(C)ccc2C)CC1 ZINC000262375271 146354731 /nfs/dbraw/zinc/35/47/31/146354731.db2.gz XZRPEGZOJBGVCZ-UHFFFAOYSA-N 2 0 303.450 2.563 20 0 DFADRP c1cc(CC[NH+]2CCC([C@H]3CCC[NH2+]3)CC2)cc2c1OCC2 ZINC000262385266 146355745 /nfs/dbraw/zinc/35/57/45/146355745.db2.gz ZDSLQMUSYPVRKH-GOSISDBHSA-N 2 0 300.446 2.628 20 0 DFADRP C[NH+](C)[C@H](CNC(=O)[C@H]([NH3+])CC1CCCCC1)c1cccs1 ZINC000262480878 146363186 /nfs/dbraw/zinc/36/31/86/146363186.db2.gz JYCOVCDEBFKXQB-HUUCEWRRSA-N 2 0 323.506 2.765 20 0 DFADRP c1cc(CN2CCOCC2)cc(NC2CC[NH+](C3CC3)CC2)c1 ZINC000459339762 543393078 /nfs/dbraw/zinc/39/30/78/543393078.db2.gz AKGGHWYZNMEKCW-UHFFFAOYSA-N 2 0 315.461 2.558 20 0 DFADRP CCC[C@@](C)([NH3+])C(=O)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000262565472 146372816 /nfs/dbraw/zinc/37/28/16/146372816.db2.gz LDVDMXLTBSDBEQ-GOSISDBHSA-N 2 0 309.498 2.619 20 0 DFADRP Cc1ccc(C[NH+](C)C)cc1NC(=O)[C@H]1CCCC[C@]1(C)[NH3+] ZINC000262692971 146383137 /nfs/dbraw/zinc/38/31/37/146383137.db2.gz ARIJIOGJNXNOGU-QAPCUYQASA-N 2 0 303.450 2.903 20 0 DFADRP CCC[C@@](C)([NH3+])C(=O)NC1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC000262707270 146384383 /nfs/dbraw/zinc/38/43/83/146384383.db2.gz NGTBLBNNKVYGAA-DNVCBOLYSA-N 2 0 317.477 2.846 20 0 DFADRP CC(C)[NH+](CCCNC(=O)CC[C@@H]1CCCC[N@@H+]1C)C(C)C ZINC000354372170 147012297 /nfs/dbraw/zinc/01/22/97/147012297.db2.gz LUVHCLVVDADMRI-KRWDZBQOSA-N 2 0 311.514 2.876 20 0 DFADRP CCc1ncc(CN(C)C2C[C@H]3CC[C@@H](C2)[N@H+]3CCOC)s1 ZINC000354497069 147059084 /nfs/dbraw/zinc/05/90/84/147059084.db2.gz IVZRPLMDTSLILB-YIONKMFJSA-N 2 0 323.506 2.779 20 0 DFADRP COC(=O)C[C@@H]1CC[C@H]([NH2+]CC[C@@H](C)[NH+]2CCCCC2)[C@@H]1C ZINC000354670028 147111189 /nfs/dbraw/zinc/11/11/89/147111189.db2.gz URZLNHXLRPYFDX-NCOADZHNSA-N 2 0 310.482 2.818 20 0 DFADRP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)CCCCOC(C)(C)C)CC1 ZINC000354681512 147114794 /nfs/dbraw/zinc/11/47/94/147114794.db2.gz UWHZYGOETBTVBE-MRXNPFEDSA-N 2 0 314.514 2.606 20 0 DFADRP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000355213566 147225018 /nfs/dbraw/zinc/22/50/18/147225018.db2.gz FKGMNOPPAKKVNG-POAQFYNOSA-N 2 0 313.489 2.581 20 0 DFADRP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3cccc(-n4cccn4)c3)CC[C@H]21 ZINC000355225431 147230377 /nfs/dbraw/zinc/23/03/77/147230377.db2.gz RTLNTEFTTGSABZ-IEBWSBKVSA-N 2 0 310.445 2.788 20 0 DFADRP Cc1ccc(CN2C[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)cn1 ZINC000355315847 147260867 /nfs/dbraw/zinc/26/08/67/147260867.db2.gz NEJWFNVEKNOEFO-BGYRXZFFSA-N 2 0 307.441 2.954 20 0 DFADRP CCn1nc(C)c(C[N@@H+]2CCC[C@@H](Cc3nccn3C)C2)c1C ZINC000355365349 147285093 /nfs/dbraw/zinc/28/50/93/147285093.db2.gz MEXZHEBAGCHNHJ-INIZCTEOSA-N 2 0 315.465 2.708 20 0 DFADRP OC[C@H](CC1CCC1)[NH2+][C@H]1CCCN(Cc2ccccc2)C1 ZINC000355509391 147343629 /nfs/dbraw/zinc/34/36/29/147343629.db2.gz AXXUICYXYDUFCO-OALUTQOASA-N 2 0 302.462 2.792 20 0 DFADRP CO[C@H](Cc1ccccc1)C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000296727926 286016480 /nfs/dbraw/zinc/01/64/80/286016480.db2.gz IGEQMCRGTOPPCK-OTWHNJEPSA-N 2 0 302.462 2.660 20 0 DFADRP CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)[C@]2(C)CCCC[NH2+]2)C1 ZINC000357798204 148126819 /nfs/dbraw/zinc/12/68/19/148126819.db2.gz RFCSKJMOFFVCGJ-YJBOKZPZSA-N 2 0 309.498 2.535 20 0 DFADRP Cc1ncc(C[NH+]2CCC(C[NH+](C)C)CC2)n1-c1ccccc1 ZINC000350184596 286017188 /nfs/dbraw/zinc/01/71/88/286017188.db2.gz OMHBNQPQKYAZJO-UHFFFAOYSA-N 2 0 312.461 2.954 20 0 DFADRP c1c(C[NH2+]CCC[C@H]2CCCCO2)onc1C1CC[NH2+]CC1 ZINC000425893187 296602817 /nfs/dbraw/zinc/60/28/17/296602817.db2.gz BPLMOOYGVVWQTH-OAHLLOKOSA-N 2 0 307.438 2.581 20 0 DFADRP CCC(CC)[C@@H](CNCc1cc(C2CC[NH2+]CC2)no1)[NH+](C)C ZINC000425902954 296603773 /nfs/dbraw/zinc/60/37/73/296603773.db2.gz UVUQNJSKWBCOTO-GOSISDBHSA-N 2 0 322.497 2.598 20 0 DFADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]CC(C)(C)C[C@@H](C)O)[C@@H](C)C1 ZINC000358168847 148267929 /nfs/dbraw/zinc/26/79/29/148267929.db2.gz OBTFXQPAMJNVRQ-BBWFWOEESA-N 2 0 314.514 2.510 20 0 DFADRP CC(C)(C)[NH+]1CCC([NH2+]C[C@@H](CO)Cc2ccc(F)cc2)CC1 ZINC000358186848 148275978 /nfs/dbraw/zinc/27/59/78/148275978.db2.gz JBLIBERHJJVMEP-INIZCTEOSA-N 2 0 322.468 2.829 20 0 DFADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1[NH2+]CCCc1ccc2c(c1)OCCO2 ZINC000358301389 148320495 /nfs/dbraw/zinc/32/04/95/148320495.db2.gz PMFUBKLXFCESSQ-VYDXJSESSA-N 2 0 318.461 2.709 20 0 DFADRP Cc1cnc(CC[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)nc1 ZINC000358351027 148338353 /nfs/dbraw/zinc/33/83/53/148338353.db2.gz HBHRBJYGCLIXPO-HKUYNNGSSA-N 2 0 324.472 2.828 20 0 DFADRP Cc1cnc(CC[NH2+]C2CC[NH+]([C@@H]3CCC[C@@H](C)C3)CC2)nc1 ZINC000358357712 148340174 /nfs/dbraw/zinc/34/01/74/148340174.db2.gz RDWKDIUEXKZVGE-CRAIPNDOSA-N 2 0 316.493 2.960 20 0 DFADRP CC[NH+](CC)CCOCC[NH2+]Cc1cccc2cccnc21 ZINC000350319481 286028025 /nfs/dbraw/zinc/02/80/25/286028025.db2.gz PDCGBLKOQKAQCY-UHFFFAOYSA-N 2 0 301.434 2.683 20 0 DFADRP CCC[N@H+](C)CC(=O)N1CCC(CC[NH+]2CCCC[C@H]2C)CC1 ZINC000358453315 148365260 /nfs/dbraw/zinc/36/52/60/148365260.db2.gz WBCXDNGQDMCSMR-QGZVFWFLSA-N 2 0 323.525 2.831 20 0 DFADRP c1ccc(C[N@H+]2C[C@@H]3CCC[C@@H]([NH2+]CCN4CCC4)[C@@H]3C2)cc1 ZINC000358572579 148389354 /nfs/dbraw/zinc/38/93/54/148389354.db2.gz QPHSBMPEPBQUTH-XUVXKRRUSA-N 2 0 313.489 2.582 20 0 DFADRP C[C@H]1CC[C@H](C)[NH+]1CC(=O)Nc1ccc(CC[NH+](C)C)cc1 ZINC000360109839 148818023 /nfs/dbraw/zinc/81/80/23/148818023.db2.gz JLYFNIXFEDOXMG-GJZGRUSLSA-N 2 0 303.450 2.602 20 0 DFADRP CC1(C)C[C@H]([N@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)CO1 ZINC000660446437 543526561 /nfs/dbraw/zinc/52/65/61/543526561.db2.gz FKMGTIRZWNLYJK-KSZLIROESA-N 2 0 300.446 2.618 20 0 DFADRP C[C@H]([NH2+][C@@H]1CCN(C2CC2)C1)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000361068890 149021894 /nfs/dbraw/zinc/02/18/94/149021894.db2.gz MZWZIAKESQNPGO-GXTWGEPZSA-N 2 0 313.445 2.804 20 0 DFADRP CN(CCC[N@H+](C)C[C@H]1C[C@H]1c1ccccc1)CC[NH+](C)C ZINC000361395518 149105301 /nfs/dbraw/zinc/10/53/01/149105301.db2.gz OTMFVEOYVHWXSD-MOPGFXCFSA-N 2 0 303.494 2.605 20 0 DFADRP C[C@@H]1CCCC[N@@H+]1Cc1ccc(NC(=O)[C@@]2(F)CC[NH2+]C2)cc1 ZINC000361719445 149200428 /nfs/dbraw/zinc/20/04/28/149200428.db2.gz SYNLSYIDGTVYJV-RDTXWAMCSA-N 2 0 319.424 2.701 20 0 DFADRP C[C@H]([NH2+][C@@H]1CCN(C)[C@H](C)C1)c1ccc(OCC[NH+](C)C)cc1 ZINC000361770602 149215536 /nfs/dbraw/zinc/21/55/36/149215536.db2.gz VWNUDRUDCJZUNU-SOLBZPMBSA-N 2 0 319.493 2.760 20 0 DFADRP CC[N@H+](CCC1CCN(Cc2ncccn2)CC1)CC1CC1 ZINC000361857069 149238411 /nfs/dbraw/zinc/23/84/11/149238411.db2.gz BDYONGUKGLXDTF-UHFFFAOYSA-N 2 0 302.466 2.811 20 0 DFADRP C[C@@H]([NH2+]CC1(O)CC[NH+](C)CC1)c1cc2c(s1)CCCC2 ZINC000361877300 149242900 /nfs/dbraw/zinc/24/29/00/149242900.db2.gz LXHXCTSYYSRUGY-CYBMUJFWSA-N 2 0 308.491 2.734 20 0 DFADRP CC1CCN(C(=[NH2+])NC[C@@H]2CC[N@H+](C)[C@@H]2c2cccs2)CC1 ZINC000361947165 149262505 /nfs/dbraw/zinc/26/25/05/149262505.db2.gz ZAWGPQJBVWUTIV-HOCLYGCPSA-N 2 0 320.506 2.997 20 0 DFADRP C[N@H+](Cc1ccccc1)[C@H]1CCC[NH+](CCn2ccnc2)CC1 ZINC000362395851 149296497 /nfs/dbraw/zinc/29/64/97/149296497.db2.gz KWUOUFOOKJWCHR-IBGZPJMESA-N 2 0 312.461 2.870 20 0 DFADRP C[C@@H](CNC(=O)c1ccccc1C[NH+](C)C)[N@@H+]1CCCC[C@H]1C ZINC000362563538 149309429 /nfs/dbraw/zinc/30/94/29/149309429.db2.gz AAWGOWOADISEQY-CVEARBPZSA-N 2 0 317.477 2.741 20 0 DFADRP C[C@H](CNC(=O)c1ccccc1C[NH+](C)C)[N@@H+]1CCCC[C@H]1C ZINC000362563540 149309636 /nfs/dbraw/zinc/30/96/36/149309636.db2.gz AAWGOWOADISEQY-HZPDHXFCSA-N 2 0 317.477 2.741 20 0 DFADRP CC(C)[C@@H](C(=O)Nc1cc(C[NH3+])cc(C(F)(F)F)c1)[NH+](C)C ZINC000362573954 149313126 /nfs/dbraw/zinc/31/31/26/149313126.db2.gz YXLNAWALPMFYGB-ZDUSSCGKSA-N 2 0 317.355 2.689 20 0 DFADRP COc1cc(C[N@@H+]2CC[C@@H](CNc3cccc(C)[nH+]3)C2)ccn1 ZINC000362724667 149351525 /nfs/dbraw/zinc/35/15/25/149351525.db2.gz KUVHOLKMVWIUPX-INIZCTEOSA-N 2 0 312.417 2.728 20 0 DFADRP [NH3+][C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3OCC(F)(F)F)C[C@@H]12 ZINC000351475502 286129515 /nfs/dbraw/zinc/12/95/15/286129515.db2.gz IMTRRZKGHNROAB-IACUBPJLSA-N 2 0 314.351 2.797 20 0 DFADRP OCCCC[NH+]1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000370650318 149960926 /nfs/dbraw/zinc/96/09/26/149960926.db2.gz LBBRKPOJDRAGOX-UHFFFAOYSA-N 2 0 302.462 2.747 20 0 DFADRP Cc1ccnc(NC[C@@H]2CC[NH+](CC[C@@H]3CCC[N@H+]3C)C2)c1 ZINC000371204547 150002346 /nfs/dbraw/zinc/00/23/46/150002346.db2.gz IFSJFZKVKJONMK-IRXDYDNUSA-N 2 0 302.466 2.608 20 0 DFADRP C[N@H+](Cc1ccccc1)[C@@H]1CCN(CC[C@@H]2CCC[NH+]2C)C1 ZINC000371205298 150002728 /nfs/dbraw/zinc/00/27/28/150002728.db2.gz QHXHPCFFQBORCS-RBUKOAKNSA-N 2 0 301.478 2.677 20 0 DFADRP CN(CC[C@@H]1CCCC[N@@H+]1C)Cc1cc(-c2cccnc2)n[nH]1 ZINC000371402781 150040888 /nfs/dbraw/zinc/04/08/88/150040888.db2.gz BLICGANTRHENJE-KRWDZBQOSA-N 2 0 313.449 2.778 20 0 DFADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1[NH2+]Cc1ccccc1-c1cnn(C)c1 ZINC000371429744 150045762 /nfs/dbraw/zinc/04/57/62/150045762.db2.gz GUVMATOHMMMWRI-ZRGWGRIASA-N 2 0 312.461 2.905 20 0 DFADRP CC[NH+](CC)CCC[NH2+]C1CCN(c2cccc(OC)c2)CC1 ZINC000371978842 150120695 /nfs/dbraw/zinc/12/06/95/150120695.db2.gz OAONSKYUDCNPIO-UHFFFAOYSA-N 2 0 319.493 2.986 20 0 DFADRP C[N@@H+]1CCCC[C@@H]1CC[NH+]1CCC(CN2CCCCC2=O)CC1 ZINC000372018477 150126009 /nfs/dbraw/zinc/12/60/09/150126009.db2.gz WPCUUKOGBCAUBL-GOSISDBHSA-N 2 0 321.509 2.585 20 0 DFADRP C[C@@H]1C[C@@H](NC[C@H]2CCC[NH+]2CCc2ccccc2)CC[N@@H+]1C ZINC000372060088 150130342 /nfs/dbraw/zinc/13/03/42/150130342.db2.gz OUIVEBJLMIKVFL-YZGWKJHDSA-N 2 0 315.505 2.766 20 0 DFADRP C[N@H+](CCN1CCC[C@H]1[C@@H]1CCC[NH+]1C)Cc1ccc(F)cc1 ZINC000372357555 150166392 /nfs/dbraw/zinc/16/63/92/150166392.db2.gz PTJHYSLTDGBHSL-OALUTQOASA-N 2 0 319.468 2.816 20 0 DFADRP CC[NH+](CC)[C@@H](CNC(=O)C[C@H]1CCC[NH2+]CC1)CC(C)C ZINC000372419405 150170240 /nfs/dbraw/zinc/17/02/40/150170240.db2.gz CFAFXCFXDNMMGO-DLBZAZTESA-N 2 0 311.514 2.639 20 0 DFADRP C[N@H+](CCCNC(=O)C[C@@H]1CCC[NH2+]CC1)C1CCCCC1 ZINC000372423542 150170449 /nfs/dbraw/zinc/17/04/49/150170449.db2.gz YMPCDFVDBAFYEV-MRXNPFEDSA-N 2 0 309.498 2.537 20 0 DFADRP C[NH+](C)[C@@H]1CCCN(CC(=O)NC2CCCCCCC2)CC1 ZINC000372992854 150212182 /nfs/dbraw/zinc/21/21/82/150212182.db2.gz ZUSVJDULUFRENZ-QGZVFWFLSA-N 2 0 309.498 2.632 20 0 DFADRP COCCN1CC[C@@H]([NH2+]C2CC(C)(c3ccc(F)cc3)C2)C1 ZINC000373785231 150257490 /nfs/dbraw/zinc/25/74/90/150257490.db2.gz BTJCQJMWRXOLHG-WWDZGPRUSA-N 2 0 306.425 2.556 20 0 DFADRP Cc1nc(C[NH+]2CCC3(C[C@H]3C[N@@H+](C)C3CC3)CC2)oc1C ZINC000374295846 150339439 /nfs/dbraw/zinc/33/94/39/150339439.db2.gz NLBRVORTKORAIR-HNNXBMFYSA-N 2 0 303.450 2.988 20 0 DFADRP CCOc1ccc(CN2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@H]32)cc1 ZINC000374428845 150366765 /nfs/dbraw/zinc/36/67/65/150366765.db2.gz NHOSWESXIZROEN-BHIYHBOVSA-N 2 0 318.461 2.769 20 0 DFADRP C[C@@H]1C[C@H](CN[C@@H]2CC[N@H+](C)[C@H](C)C2)C[NH+]1Cc1ccccc1 ZINC000374526372 150373404 /nfs/dbraw/zinc/37/34/04/150373404.db2.gz HLYQEZASWQDCAL-HNBVOPMISA-N 3 0 315.505 2.969 20 0 DFADRP CCC[NH+]1CCC([NH2+][C@H]2CCc3cnn(C(C)C)c3C2)CC1 ZINC000375455762 150453248 /nfs/dbraw/zinc/45/32/48/150453248.db2.gz FPKNJEXNXNIXTR-KRWDZBQOSA-N 2 0 304.482 2.785 20 0 DFADRP Cc1cccc(C2([NH2+]C[C@@H](O)CN(C)C3CC3)CCCC2)c1 ZINC000351714385 286200741 /nfs/dbraw/zinc/20/07/41/286200741.db2.gz CYUORCBIWZBXIZ-GOSISDBHSA-N 2 0 302.462 2.809 20 0 DFADRP C[C@H]([NH3+])[C@@H]1CC[N@H+](Cc2cccc(OCC(F)(F)F)c2)C1 ZINC000351857242 286233179 /nfs/dbraw/zinc/23/31/79/286233179.db2.gz XBKBZIKDTOHWOH-WCQYABFASA-N 2 0 302.340 2.797 20 0 DFADRP CCOC(=O)C1(C[NH2+]C2CC[NH+]([C@@H]3CCCC[C@@H]3C)CC2)CC1 ZINC000351915476 286243404 /nfs/dbraw/zinc/24/34/04/286243404.db2.gz OYWRRXGUZXPWIZ-DOTOQJQBSA-N 2 0 322.493 2.962 20 0 DFADRP CC(C)[N@H+](C)CCC[NH2+]Cc1ccccc1-c1ccnn1C ZINC000352090469 286289645 /nfs/dbraw/zinc/28/96/45/286289645.db2.gz ALLROHVZVVDULJ-UHFFFAOYSA-N 2 0 300.450 2.907 20 0 DFADRP CC(C)[C@@H](Cc1ccccc1)[NH2+]C[C@H](O)C[NH+]1CCC(C)CC1 ZINC000427714263 296665452 /nfs/dbraw/zinc/66/54/52/296665452.db2.gz LFDXIOLRRGQYEO-VQTJNVASSA-N 2 0 318.505 2.936 20 0 DFADRP CCC[C@H]([NH2+]C(C)C)C(=O)NC[C@@H](c1ccc(C)cc1)[NH+](C)C ZINC000352172850 286311691 /nfs/dbraw/zinc/31/16/91/286311691.db2.gz XJXCLTSOODJVJO-ROUUACIJSA-N 2 0 319.493 2.881 20 0 DFADRP CSc1ccccc1NC(=O)CC[N@@H+]1CCCC[C@H]1CC[NH3+] ZINC000352488450 286386235 /nfs/dbraw/zinc/38/62/35/286386235.db2.gz QJOUKXWKXLUCKA-AWEZNQCLSA-N 2 0 321.490 2.940 20 0 DFADRP C[C@H](C1CC1)N(C(=O)C[N@H+](CCC[NH3+])CC1CCCC1)C1CC1 ZINC000352525432 286398101 /nfs/dbraw/zinc/39/81/01/286398101.db2.gz GMQMFRQMCUALEG-OAHLLOKOSA-N 2 0 321.509 2.617 20 0 DFADRP Cn1c2ccc(C[NH2+][C@@H](CC[NH+](C)C)C(C)(C)C)cc2oc1=O ZINC000352528186 286398753 /nfs/dbraw/zinc/39/87/53/286398753.db2.gz KOJNDZSJEIWQLE-INIZCTEOSA-N 2 0 319.449 2.588 20 0 DFADRP CC[NH+](CC)CCOC1CC[NH+](C[C@H]2CCO[C@H](C)C2)CC1 ZINC000352613784 286420680 /nfs/dbraw/zinc/42/06/80/286420680.db2.gz YLBAFTOSNZZMON-SJORKVTESA-N 2 0 312.498 2.624 20 0 DFADRP COc1ccc(C[NH2+]CC2(SC)CC[NH+](C)CC2)cc1F ZINC000353183144 286573051 /nfs/dbraw/zinc/57/30/51/286573051.db2.gz HCUZYKXHGMDOMS-UHFFFAOYSA-N 2 0 312.454 2.751 20 0 DFADRP CSC1(C[NH2+][C@@H]2CCO[C@H](C(C)C)C2)CC[NH+](C)CC1 ZINC000353195282 286576697 /nfs/dbraw/zinc/57/66/97/286576697.db2.gz RIKFUCKDDXLLJS-CABCVRRESA-N 2 0 300.512 2.607 20 0 DFADRP COc1ccc(C[NH2+]CC2(SC)CC[NH+](C)CC2)c(OC)c1 ZINC000353204879 286578995 /nfs/dbraw/zinc/57/89/95/286578995.db2.gz DRYCAZLGFQERNC-UHFFFAOYSA-N 2 0 324.490 2.621 20 0 DFADRP COc1cccc(C[NH2+]CC2(SC)CC[NH+](C)CC2)c1OC ZINC000353195696 286576603 /nfs/dbraw/zinc/57/66/03/286576603.db2.gz SAYDIVKCZSSJKK-UHFFFAOYSA-N 2 0 324.490 2.621 20 0 DFADRP COc1cc(C)c(C[NH2+]CC2(SC)CC[NH+](C)CC2)c(C)n1 ZINC000353218162 286581912 /nfs/dbraw/zinc/58/19/12/286581912.db2.gz JHLVOFSYDVCGJD-UHFFFAOYSA-N 2 0 323.506 2.624 20 0 DFADRP CC[NH+]1CCN([C@@H](C)C[NH2+][C@H](C)C2CCC(F)(F)CC2)CC1 ZINC000353249322 286590561 /nfs/dbraw/zinc/59/05/61/286590561.db2.gz LVSZEPVYWMMRCS-LSDHHAIUSA-N 2 0 317.468 2.816 20 0 DFADRP CC(C)[C@@H](C(=O)NCc1ccc([C@H](C)[NH3+])cc1)[NH+]1CCCCC1 ZINC000429499878 296747166 /nfs/dbraw/zinc/74/71/66/296747166.db2.gz BHANOMQHRKEQPJ-YJBOKZPZSA-N 2 0 317.477 2.833 20 0 DFADRP C[C@H](C(=O)N(C)CC[C@@H]1CCCC[NH+]1C)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000440255202 297148841 /nfs/dbraw/zinc/14/88/41/297148841.db2.gz MVLWNKCSHKPPLH-TWMKSMIVSA-N 2 0 309.498 2.581 20 0 DFADRP CC[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000181738562 157996621 /nfs/dbraw/zinc/99/66/21/157996621.db2.gz KURAPMYRMPAZSE-MSOLQXFVSA-N 2 0 316.493 2.892 20 0 DFADRP CCOC(=O)[C@@H](CC(C)C)[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000182063089 158000761 /nfs/dbraw/zinc/00/07/61/158000761.db2.gz QNRKLPBYLZIRLI-QGZVFWFLSA-N 2 0 310.482 2.772 20 0 DFADRP C[C@@H](c1ccccc1)[NH+]1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000182562645 158004248 /nfs/dbraw/zinc/00/42/48/158004248.db2.gz PDNWQVLDBHFSPA-DAABDDCCSA-N 2 0 313.489 2.990 20 0 DFADRP CC[NH+](CC)CCCC1CC[NH+](CC(=O)NCC(C)C)CC1 ZINC000182789026 158006885 /nfs/dbraw/zinc/00/68/85/158006885.db2.gz JIPRHTYGQVTYIN-UHFFFAOYSA-N 2 0 311.514 2.593 20 0 DFADRP CC(C)Cn1cc(C[NH+]2CCC(C[NH+]3CCCC3)CC2)cn1 ZINC000183057079 158011863 /nfs/dbraw/zinc/01/18/63/158011863.db2.gz XJIQBGSVOXENGO-UHFFFAOYSA-N 2 0 304.482 2.847 20 0 DFADRP CC[N@@H+]1CC[C@H]([NH2+]Cc2ccc(Cn3ccnc3)cc2)[C@@H](C)C1 ZINC000246989621 158111638 /nfs/dbraw/zinc/11/16/38/158111638.db2.gz KELYJCMRHCTKGU-LPHOPBHVSA-N 2 0 312.461 2.751 20 0 DFADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@H](C)Oc2ccccc2OC)[C@@H](C)C1 ZINC000247037531 158114657 /nfs/dbraw/zinc/11/46/57/158114657.db2.gz LPHKUJVRBUQDGI-JYJNAYRXSA-N 2 0 306.450 2.782 20 0 DFADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@H]2CCN(c3ccc(F)cc3)C2)[C@@H](C)C1 ZINC000247180243 158122115 /nfs/dbraw/zinc/12/21/15/158122115.db2.gz VCEKSQYOAKTGFP-FCEWJHQRSA-N 2 0 319.468 2.972 20 0 DFADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@H]2CCN(c3ccc(F)cc3)C2)[C@H](C)C1 ZINC000247180251 158122292 /nfs/dbraw/zinc/12/22/92/158122292.db2.gz VCEKSQYOAKTGFP-MDZRGWNJSA-N 2 0 319.468 2.972 20 0 DFADRP CC[N@@H+]1CC[C@H](NC[C@H](c2cccc(OC)c2)[NH+](C)C)[C@@H](C)C1 ZINC000247890476 158151643 /nfs/dbraw/zinc/15/16/43/158151643.db2.gz FBOUMTGUAIKONO-ZYSHUDEJSA-N 2 0 319.493 2.618 20 0 DFADRP CC[N@@H+]1CC[C@H](NC[C@@H]2CCC[NH+]2Cc2ccccc2)[C@@H](C)C1 ZINC000247987764 158155248 /nfs/dbraw/zinc/15/52/48/158155248.db2.gz IZTBVOJDZCALAA-IHPCNDPISA-N 2 0 315.505 2.971 20 0 DFADRP C[C@@H]1C[C@@H](NC[C@H](c2ccccc2)[NH+]2CCCC2)CC[N@@H+]1C ZINC000247971994 158155442 /nfs/dbraw/zinc/15/54/42/158155442.db2.gz JRHBUOZBHDNCLJ-NZSAHSFTSA-N 2 0 301.478 2.896 20 0 DFADRP C[N@@H+]1CCC[C@@H]2C[NH+](CCC(=O)Nc3ccc(F)cc3)CC[C@H]21 ZINC000247974844 158155495 /nfs/dbraw/zinc/15/54/95/158155495.db2.gz KLTNDJSITCTUPZ-RHSMWYFYSA-N 2 0 319.424 2.570 20 0 DFADRP C[N@@H+]1CCC[C@H]2CN(CC(=O)Nc3cccc(Cl)c3)CC[C@H]21 ZINC000248186259 158164123 /nfs/dbraw/zinc/16/41/23/158164123.db2.gz XKWQMVVQWFCXOV-XJKSGUPXSA-N 2 0 321.852 2.695 20 0 DFADRP CC(C)[C@@](C)(O)C[N@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000248541639 158181953 /nfs/dbraw/zinc/18/19/53/158181953.db2.gz CAIVFCAZFYCOHN-MOPGFXCFSA-N 2 0 304.478 2.847 20 0 DFADRP CN1CC[C@H]2CC[N@H+](CCCc3ccc4c(c3)CCO4)[C@H]2C1 ZINC000248666419 158195862 /nfs/dbraw/zinc/19/58/62/158195862.db2.gz NQGCXDINDADFAD-WMZOPIPTSA-N 2 0 300.446 2.580 20 0 DFADRP OCCCC[NH2+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000248819667 158202874 /nfs/dbraw/zinc/20/28/74/158202874.db2.gz WIJMHSOQMFLVGN-GUDVDZBRSA-N 2 0 302.462 2.649 20 0 DFADRP CO[C@H](C)[C@H](C)[NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]12 ZINC000248829429 158203059 /nfs/dbraw/zinc/20/30/59/158203059.db2.gz KYBJVUJHGOXVDX-CSQLCUNESA-N 2 0 302.462 2.910 20 0 DFADRP C[C@@H]1C[NH+](CCC2CC[NH+](C[C@H]3CCC=CO3)CC2)C[C@@H](C)O1 ZINC000248822612 158203074 /nfs/dbraw/zinc/20/30/74/158203074.db2.gz FJWMAJDVWRUWCU-ZHALLVOQSA-N 2 0 322.493 2.890 20 0 DFADRP C[NH+](C)CCOc1cnccc1C[NH2+][C@H]1CCC[C@H]1CCF ZINC000343934829 158224170 /nfs/dbraw/zinc/22/41/70/158224170.db2.gz OOTFLAQQWRMREK-HOCLYGCPSA-N 2 0 309.429 2.640 20 0 DFADRP Cc1ccc(C)c(C[N@@H+]2CCN(C3CC[NH+](C)CC3)[C@H](C)C2)c1 ZINC000355061710 158264363 /nfs/dbraw/zinc/26/43/63/158264363.db2.gz GOCKKVZUYVTKBY-GOSISDBHSA-N 2 0 315.505 2.904 20 0 DFADRP CC(=O)NCCc1ccc([C@@H](C)[NH2+]CCC[NH+]2CCCC2)cc1 ZINC000356696499 158311112 /nfs/dbraw/zinc/31/11/12/158311112.db2.gz MOXRSYQILQHZRY-MRXNPFEDSA-N 2 0 317.477 2.502 20 0 DFADRP CC[C@H]1C[C@@H](C[NH+]2CCC(OCC[NH+]3CCCC3)CC2)CCO1 ZINC000356986102 158339312 /nfs/dbraw/zinc/33/93/12/158339312.db2.gz JCFLCGMTLXHXNU-ROUUACIJSA-N 2 0 324.509 2.768 20 0 DFADRP [NH3+]CCOCC[N@H+](Cc1ccc(C(F)(F)F)cc1)C1CC1 ZINC000357029555 158351271 /nfs/dbraw/zinc/35/12/71/158351271.db2.gz NPYAQLZHSRHZSN-UHFFFAOYSA-N 2 0 302.340 2.645 20 0 DFADRP c1cc(-c2n[nH]cc2C[NH+]2CCC([C@@H]3CC[NH2+]C3)CC2)cs1 ZINC000357057074 158358090 /nfs/dbraw/zinc/35/80/90/158358090.db2.gz UCLNRUWCDSWFEL-CQSZACIVSA-N 2 0 316.474 2.960 20 0 DFADRP CCc1cccc(NC(=O)C[NH+]2CCC([C@@H]3CC[NH2+]C3)CC2)c1 ZINC000357083037 158362324 /nfs/dbraw/zinc/36/23/24/158362324.db2.gz IIUQVFMGBOWMGG-QGZVFWFLSA-N 2 0 315.461 2.509 20 0 DFADRP Cc1cc(C)n(-c2ccc(C[N@@H+]3CC[C@@H]4C[NH2+]C[C@@H]4C3)cc2)n1 ZINC000357086990 158363341 /nfs/dbraw/zinc/36/33/41/158363341.db2.gz RZZTZEJVWSFJCG-QZTJIDSGSA-N 2 0 310.445 2.530 20 0 DFADRP COCCCOc1cccc(C[NH2+][C@@H]2CC[N@H+](C)C[C@@H]2C)c1 ZINC000358343434 158371348 /nfs/dbraw/zinc/37/13/48/158371348.db2.gz HVPFQBWEKOSUAF-MAUKXSAKSA-N 2 0 306.450 2.532 20 0 DFADRP C[C@H]1C[C@H](c2nc(-c3ccc(C[NH+](C)C)cc3)no2)CC[N@@H+]1C ZINC000362310425 158517335 /nfs/dbraw/zinc/51/73/35/158517335.db2.gz YTSLBONEVKZABJ-XJKSGUPXSA-N 2 0 314.433 2.996 20 0 DFADRP CCOC1(C)CC[NH+](Cc2cn(-c3cc[nH+]cc3)nc2C)CC1 ZINC000430098091 296771169 /nfs/dbraw/zinc/77/11/69/296771169.db2.gz RVPPNSQCBGOROY-UHFFFAOYSA-N 2 0 314.433 2.967 20 0 DFADRP CCC[NH+](CCC)CCCC(=O)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000377810704 158947223 /nfs/dbraw/zinc/94/72/23/158947223.db2.gz DCDIORRECSMNKB-GOSISDBHSA-N 2 0 323.525 2.737 20 0 DFADRP CC[NH2+]CC1CC[NH+]([C@H](C)C(=O)Nc2cccc(C)c2)CC1 ZINC000430552124 296794289 /nfs/dbraw/zinc/79/42/89/296794289.db2.gz MUPXUZMYLOXSRA-OAHLLOKOSA-N 2 0 303.450 2.644 20 0 DFADRP [NH3+][C@H]1CCCCCC[C@@H]1C(=O)N1CCC(C[NH+]2CCCC2)CC1 ZINC000430764292 296807752 /nfs/dbraw/zinc/80/77/52/296807752.db2.gz PIBACYKCWSAUTP-ROUUACIJSA-N 2 0 321.509 2.619 20 0 DFADRP c1sc(-c2ccccn2)nc1C[NH+]1CCC2(CC[NH2+]C2)CC1 ZINC000430925203 296812546 /nfs/dbraw/zinc/81/25/46/296812546.db2.gz CIEYIKHDDGOVTL-UHFFFAOYSA-N 2 0 314.458 2.781 20 0 DFADRP c1cc(-c2n[nH]cc2C[NH+]2CCC3(CC[NH2+]C3)CC2)cs1 ZINC000430929103 296812729 /nfs/dbraw/zinc/81/27/29/296812729.db2.gz VZNYBMOJTXFBDQ-UHFFFAOYSA-N 2 0 302.447 2.714 20 0 DFADRP C[C@@H](C[NH2+][C@@H]1CC(C)(C)Cc2occc21)CN1CC[NH+](C)CC1 ZINC000120881765 286876970 /nfs/dbraw/zinc/87/69/70/286876970.db2.gz TZNMUVIJWDVIKD-DOTOQJQBSA-N 2 0 319.493 2.766 20 0 DFADRP CCc1ccc(NC(=O)[C@H](C)[NH+]2CCC3(CC[NH2+]C3)CC2)cc1 ZINC000431014451 296817801 /nfs/dbraw/zinc/81/78/01/296817801.db2.gz NSPGMLPAJDRBPX-HNNXBMFYSA-N 2 0 315.461 2.652 20 0 DFADRP Cc1cccc(C)c1NC(=O)[C@H](C)[NH+]1CCC2(CC[NH2+]C2)CC1 ZINC000431022144 296818032 /nfs/dbraw/zinc/81/80/32/296818032.db2.gz FYUQPLZGOLPSHF-INIZCTEOSA-N 2 0 315.461 2.706 20 0 DFADRP Cc1cc(Cl)ccc1NC(=O)C[NH+]1CCC2(CC[NH2+]C2)CC1 ZINC000431017723 296818052 /nfs/dbraw/zinc/81/80/52/296818052.db2.gz RNTQASHXIFKJBT-UHFFFAOYSA-N 2 0 321.852 2.662 20 0 DFADRP CC[C@@H]([NH2+][C@H](C)CN1CC[NH+](C)CC1)c1cc(C)ccc1OC ZINC000093406114 286928444 /nfs/dbraw/zinc/92/84/44/286928444.db2.gz JIAHNHXBQVSQBR-SJLPKXTDSA-N 2 0 319.493 2.680 20 0 DFADRP CC[NH+](CC)CCC[NH2+][C@H](C)c1ccc(-n2cncn2)cc1 ZINC000131467106 196171299 /nfs/dbraw/zinc/17/12/99/196171299.db2.gz NJRWTSLPZQFVDH-OAHLLOKOSA-N 2 0 301.438 2.650 20 0 DFADRP C[C@@H]([NH2+]CC(C)(C)C[NH+](C)C)c1cccc(N2CCOC2=O)c1 ZINC000132103663 196226425 /nfs/dbraw/zinc/22/64/25/196226425.db2.gz ZXZFCNLYZATNEV-CQSZACIVSA-N 2 0 319.449 2.882 20 0 DFADRP C[C@@H]([NH2+]CC(C)(C)C[NH+](C)C)c1cccc(OCC[NH+](C)C)c1 ZINC000132124905 196228540 /nfs/dbraw/zinc/22/85/40/196228540.db2.gz NRKQKWISCYFVPY-MRXNPFEDSA-N 3 0 321.509 2.865 20 0 DFADRP Cc1cccc([C@H](C)[NH2+]C[C@H](C(C)C)N2CC[NH+](C)CC2)c1 ZINC000132375500 196250661 /nfs/dbraw/zinc/25/06/61/196250661.db2.gz MNOLVFYICJXVFZ-PKOBYXMFSA-N 2 0 303.494 2.918 20 0 DFADRP Cc1cccc([C@@H](C)[NH2+]C[C@H](C(C)C)N2CC[NH+](C)CC2)c1 ZINC000132375250 196251219 /nfs/dbraw/zinc/25/12/19/196251219.db2.gz MNOLVFYICJXVFZ-IEBWSBKVSA-N 2 0 303.494 2.918 20 0 DFADRP CC(C)[C@@H](C[NH2+][C@@H](C)c1ccccc1F)N1CC[NH+](C)CC1 ZINC000132321457 196245551 /nfs/dbraw/zinc/24/55/51/196245551.db2.gz QFBNIOUWLVMMDR-MAUKXSAKSA-N 2 0 307.457 2.748 20 0 DFADRP CC[C@@H]1CCC[N@H+](CC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC000132618306 196270488 /nfs/dbraw/zinc/27/04/88/196270488.db2.gz VFBKRZQERDOOLA-AEFFLSMTSA-N 2 0 317.477 2.528 20 0 DFADRP CCc1ccc([C@@H](CN[C@@H]2CC[N@H+](C)[C@H](C)C2)[NH+](C)C)cc1 ZINC000133806780 196337686 /nfs/dbraw/zinc/33/76/86/196337686.db2.gz JJVUHZVLMHHSTC-ATZDWAIDSA-N 2 0 303.494 2.924 20 0 DFADRP C[C@@H]([NH2+]CC1(O)CCCCC1)c1ccc(OCC[NH+](C)C)cc1 ZINC000134023922 196354832 /nfs/dbraw/zinc/35/48/32/196354832.db2.gz DIKBNOAZXDGRQV-MRXNPFEDSA-N 2 0 320.477 2.973 20 0 DFADRP C[C@H]([NH2+]CC1(O)CCCCC1)c1cccc(OCC[NH+](C)C)c1 ZINC000134053478 196357348 /nfs/dbraw/zinc/35/73/48/196357348.db2.gz PGAAQTIDZUSVGF-INIZCTEOSA-N 2 0 320.477 2.973 20 0 DFADRP C[C@H]1C[N@H+](C)CC[C@@H]1NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000134170837 196367700 /nfs/dbraw/zinc/36/77/00/196367700.db2.gz PGVOXXIBOKYGJI-JYJNAYRXSA-N 2 0 307.507 2.815 20 0 DFADRP CC(=O)Nc1ccc(C[NH+]2CCC(C[NH+]3CCCC3)CC2)cc1 ZINC000134208231 196371301 /nfs/dbraw/zinc/37/13/01/196371301.db2.gz NIWNPPDUSBNDEO-UHFFFAOYSA-N 2 0 315.461 2.953 20 0 DFADRP CC[C@@H]1C[C@H](C)CC[C@H]1[NH2+][C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000371338102 287295594 /nfs/dbraw/zinc/29/55/94/287295594.db2.gz YOIURSVQTLQOSN-VXIBKDFQSA-N 2 0 307.526 2.959 20 0 DFADRP CC[C@H]([NH2+]C1CCN(CC[NH+](C)C)CC1)c1ccccc1OC ZINC000150994614 196614196 /nfs/dbraw/zinc/61/41/96/196614196.db2.gz PZUKCUPXVVCAAW-SFHVURJKSA-N 2 0 319.493 2.762 20 0 DFADRP CC(C)(C)[N@@H+]1CCCN(Cc2ccnn2-c2cc[nH+]cc2)CC1 ZINC000667563633 543631470 /nfs/dbraw/zinc/63/14/70/543631470.db2.gz KBHNGSFHEKUVNO-UHFFFAOYSA-N 2 0 313.449 2.574 20 0 DFADRP COC[C@H](C)Oc1ccc(C[N@H+](C)CC2CC[NH+](C)CC2)cc1 ZINC000667597147 543638688 /nfs/dbraw/zinc/63/86/88/543638688.db2.gz CLHCPKJYIOFRDX-INIZCTEOSA-N 2 0 320.477 2.874 20 0 DFADRP CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)Nc1cccc(C[NH3+])c1 ZINC000667728186 543667690 /nfs/dbraw/zinc/66/76/90/543667690.db2.gz PGVOPRZGSLCWGF-QGZVFWFLSA-N 2 0 318.465 2.921 20 0 DFADRP CCCC[N@@H+]1CCCC[C@H]1CNC(=O)Nc1cccc(C[NH3+])c1 ZINC000667728185 543667833 /nfs/dbraw/zinc/66/78/33/543667833.db2.gz PGVOPRZGSLCWGF-KRWDZBQOSA-N 2 0 318.465 2.921 20 0 DFADRP C[C@H](CNC(=O)Nc1cccc(C[NH3+])c1)[N@@H+]1CCCC[C@H]1C ZINC000667730834 543668732 /nfs/dbraw/zinc/66/87/32/543668732.db2.gz BVLSDZHXTAFDII-ZIAGYGMSSA-N 2 0 304.438 2.530 20 0 DFADRP C[NH2+]Cc1ccccc1NC(=O)NC1CC([NH+]2CCCCC2)C1 ZINC000667760569 543674394 /nfs/dbraw/zinc/67/43/94/543674394.db2.gz HLUNJZOMMBUAOS-UHFFFAOYSA-N 2 0 316.449 2.544 20 0 DFADRP C[C@@H]1CN(Cc2ccccc2)C[C@@H]1[NH2+][C@H]1CO[C@@H](C2CC2)C1 ZINC000667992019 543719869 /nfs/dbraw/zinc/71/98/69/543719869.db2.gz GKOZJRNPHXUYKU-DQEVTTJGSA-N 2 0 300.446 2.664 20 0 DFADRP C[C@H](NC(=O)C[C@@H](c1ccccc1)[NH+](C)C)C1CC[NH+](C)CC1 ZINC000667954996 543710389 /nfs/dbraw/zinc/71/03/89/543710389.db2.gz OHKIISWFTGKPAD-YJBOKZPZSA-N 2 0 317.477 2.526 20 0 DFADRP C[C@@H](C[N@H+](C)Cc1ccnn1-c1cc[nH+]cc1)c1nccs1 ZINC000667975200 543716168 /nfs/dbraw/zinc/71/61/68/543716168.db2.gz PRCYJVRBRATZJE-ZDUSSCGKSA-N 2 0 313.430 2.959 20 0 DFADRP CC[C@H](C[NH+]1CCC([N@@H+]2CC[C@H](O)C2)CC1)c1ccccc1 ZINC000668738772 543857547 /nfs/dbraw/zinc/85/75/47/543857547.db2.gz GCCLBOSMFROFQW-APWZRJJASA-N 2 0 302.462 2.711 20 0 DFADRP C[C@@H](CCc1ccccc1)C[NH+]1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000668739175 543857913 /nfs/dbraw/zinc/85/79/13/543857913.db2.gz KAGBDOGDMKPFCP-FXAWDEMLSA-N 2 0 316.489 2.786 20 0 DFADRP C[C@@H](O)[C@H]([NH2+]C1CCN(c2cc[nH+]cc2)CC1)c1ccccc1 ZINC000668787508 543867416 /nfs/dbraw/zinc/86/74/16/543867416.db2.gz BAHSQMDNBFWHSM-BEFAXECRSA-N 2 0 311.429 2.762 20 0 DFADRP C[C@H]([NH2+][C@@H]1CCOC1(C)C)c1ccc(OCC[NH+](C)C)cc1 ZINC000296654701 226090679 /nfs/dbraw/zinc/09/06/79/226090679.db2.gz ZEFFHVNVGFXLLJ-WMLDXEAASA-N 2 0 306.450 2.845 20 0 DFADRP C[N@@H+]1CCCC[C@H]1C(=O)NCC[NH+]1CCC2(CCCCC2)CC1 ZINC000669622378 543976735 /nfs/dbraw/zinc/97/67/35/543976735.db2.gz XGBDMNKYSKVWHR-KRWDZBQOSA-N 2 0 321.509 2.633 20 0 DFADRP [NH3+][C@@H](C(=O)NCC[NH2+]C1CCCCCC1)c1cccc(Cl)c1 ZINC000669512316 543958923 /nfs/dbraw/zinc/95/89/23/543958923.db2.gz XHXHIHDFABLQFX-MRXNPFEDSA-N 2 0 323.868 2.768 20 0 DFADRP [NH3+]CC1(CC(=O)N2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)CCCCC1 ZINC000669519612 543959697 /nfs/dbraw/zinc/95/96/97/543959697.db2.gz KOLRRUXKWLOPLZ-DLBZAZTESA-N 2 0 321.509 2.524 20 0 DFADRP CC(C)[NH+]1CCN(CCC[N@@H+]2CCCc3sccc3C2)CC1 ZINC000669689860 543984224 /nfs/dbraw/zinc/98/42/24/543984224.db2.gz LSXJXAFITPDVIA-UHFFFAOYSA-N 2 0 321.534 2.912 20 0 DFADRP CCc1nc2ccccc2n1CC[NH2+][C@@H](C)c1cc(C)n(C)n1 ZINC000669702332 543986307 /nfs/dbraw/zinc/98/63/07/543986307.db2.gz NOZNVVFJWFCSQO-AWEZNQCLSA-N 2 0 311.433 2.991 20 0 DFADRP CC[N@H+](Cc1ccc(C(=O)NC2CC([NH+](C)C)C2)cc1)C(C)C ZINC000670401991 544037579 /nfs/dbraw/zinc/03/75/79/544037579.db2.gz GSHVOXQUMUMNAC-UHFFFAOYSA-N 2 0 317.477 2.739 20 0 DFADRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@H](C)c1ccc2[nH]c(=O)oc2c1 ZINC000671750355 544106771 /nfs/dbraw/zinc/10/67/71/544106771.db2.gz SQJDRIMKCUPUQC-TZMCWYRMSA-N 2 0 321.421 2.541 20 0 DFADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@@H](CO)c2ccc(Cl)cc2)[C@@H](C)C1 ZINC000672619131 544143737 /nfs/dbraw/zinc/14/37/37/544143737.db2.gz JEJNDFSKGJAWDO-QRTARXTBSA-N 2 0 310.869 2.736 20 0 DFADRP C[C@H]([NH2+]C[C@@H](CO)c1ccc(Cl)cc1)C1CC[NH+](C)CC1 ZINC000672620454 544143772 /nfs/dbraw/zinc/14/37/72/544143772.db2.gz NDWXQYBELWKIKS-BBRMVZONSA-N 2 0 310.869 2.736 20 0 DFADRP CC(C)(C)c1ccc(CC[NH2+]CCC[NH+]2CCC(O)CC2)cc1 ZINC000290940190 222016566 /nfs/dbraw/zinc/01/65/66/222016566.db2.gz TVGWKMPCDHQHSB-UHFFFAOYSA-N 2 0 318.505 2.963 20 0 DFADRP CCCc1cc(N2CCC([NH2+]CCO)CC2)c2ccccc2[nH+]1 ZINC000290949636 222022086 /nfs/dbraw/zinc/02/20/86/222022086.db2.gz MPFNJATYNWVQRO-UHFFFAOYSA-N 2 0 313.445 2.738 20 0 DFADRP CC[NH+](CC)CCC[C@H](C)[NH2+]Cc1cc(C(=O)OC)c(C)n1C ZINC000291174989 222194875 /nfs/dbraw/zinc/19/48/75/222194875.db2.gz KDNOGUMMEYHEOT-AWEZNQCLSA-N 2 0 323.481 2.720 20 0 DFADRP CC[C@@H]1C[N@@H+]2CCCC[C@@H]2CN1C(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC000674351995 544234611 /nfs/dbraw/zinc/23/46/11/544234611.db2.gz GDDVCWWTNQCAME-KZNAEPCWSA-N 2 0 321.509 2.726 20 0 DFADRP CO[C@@H]1C[C@H]([NH2+]Cc2ccc(OCC[NH+](C)C)cc2)C1(C)C ZINC000674677501 544250605 /nfs/dbraw/zinc/25/06/05/544250605.db2.gz JIZRZDFKAVGDQX-DLBZAZTESA-N 2 0 306.450 2.530 20 0 DFADRP C[C@@H]([NH2+]CCN1c2ccccc2C[C@@H]1C)C1CC[NH+](C)CC1 ZINC000675781616 544335661 /nfs/dbraw/zinc/33/56/61/544335661.db2.gz QVMOVRRBEXNEJK-JKSUJKDBSA-N 2 0 301.478 2.758 20 0 DFADRP CC(C)[NH+]1CCC([NH2+]CCN2CCCc3ccccc32)CC1 ZINC000675783092 544336193 /nfs/dbraw/zinc/33/61/93/544336193.db2.gz AZKVESNMNSGFFX-UHFFFAOYSA-N 2 0 301.478 2.902 20 0 DFADRP C[C@@H]([NH2+][C@@H]1CCc2nc(C(C)(C)C)cn2C1)C1CC[NH+](C)CC1 ZINC000675797155 544336861 /nfs/dbraw/zinc/33/68/61/544336861.db2.gz JICPUBOAWLLANE-GDBMZVCRSA-N 2 0 318.509 2.815 20 0 DFADRP C[C@@H]1Cc2ccccc2[C@@H]1[NH2+]CC(C)(C)N1CC[NH+](C)CC1 ZINC000675742376 544333012 /nfs/dbraw/zinc/33/30/12/544333012.db2.gz NYBGJZSMEXMOKA-CRAIPNDOSA-N 2 0 301.478 2.536 20 0 DFADRP C[C@H]([NH2+][C@@H]1CCC[C@H](O)C1)c1ccc(OCC[NH+](C)C)cc1 ZINC000675766791 544334490 /nfs/dbraw/zinc/33/44/90/544334490.db2.gz OLZFBANPVMRJEI-UAGQMJEPSA-N 2 0 306.450 2.581 20 0 DFADRP C[C@H](C[NH2+][C@@H](C)C1CC[NH+](C)CC1)N1CCc2ccccc21 ZINC000675775969 544335456 /nfs/dbraw/zinc/33/54/56/544335456.db2.gz DEEOGDUYNUQLCZ-CVEARBPZSA-N 2 0 301.478 2.758 20 0 DFADRP COc1cccc(N2CC[C@@H]([NH2+][C@@H](C)C3CC[NH+](C)CC3)C2)c1 ZINC000675810593 544338173 /nfs/dbraw/zinc/33/81/73/544338173.db2.gz IQBLCRQYGFTVRU-DOTOQJQBSA-N 2 0 317.477 2.594 20 0 DFADRP CCC[NH+]1CCC([NH2+][C@@H]2CCN(c3cccc(OC)c3)C2)CC1 ZINC000675809947 544338198 /nfs/dbraw/zinc/33/81/98/544338198.db2.gz ASEZQSRYXFQXOQ-QGZVFWFLSA-N 2 0 317.477 2.738 20 0 DFADRP C[C@H]([NH2+][C@H](Cn1cccn1)c1ccccc1)C1CC[NH+](C)CC1 ZINC000675900307 544342674 /nfs/dbraw/zinc/34/26/74/544342674.db2.gz UTKSBAVRQGJILR-QFBILLFUSA-N 2 0 312.461 2.944 20 0 DFADRP C[C@@H]1CN(C2CC2)C[C@H]1[NH2+][C@H](Cn1cccn1)c1ccccc1 ZINC000675899409 544342764 /nfs/dbraw/zinc/34/27/64/544342764.db2.gz GPEUPAWBRAYGQO-ATZDWAIDSA-N 2 0 310.445 2.697 20 0 DFADRP C[C@@H]([NH2+][C@@H]1CCN(C2CC[NH+](C)CC2)C1)C1C(C)(C)C1(C)C ZINC000676560261 544385837 /nfs/dbraw/zinc/38/58/37/544385837.db2.gz KYOCIHJYJAEURP-HUUCEWRRSA-N 2 0 307.526 2.815 20 0 DFADRP Cn1ccnc1C[C@H]([NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccccc1 ZINC000677242026 544458086 /nfs/dbraw/zinc/45/80/86/544458086.db2.gz WGJLENHPYLXBTL-QYZOEREBSA-N 2 0 324.472 2.920 20 0 DFADRP Cc1cn(Cc2cn3cc(Br)ccc3n2)c(C)n1 ZINC000677646372 544515716 /nfs/dbraw/zinc/51/57/16/544515716.db2.gz ZHWUPCDAPQJLIO-UHFFFAOYSA-N 2 0 305.179 2.958 20 0 DFADRP Cn1nc(C[NH+]2CCC(C[NH+]3CCCC3)CC2)c2ccccc21 ZINC000678139109 544609304 /nfs/dbraw/zinc/60/93/04/544609304.db2.gz JPHLJFFXNFJPFB-UHFFFAOYSA-N 2 0 312.461 2.881 20 0 DFADRP Cc1nn(C)cc1C[NH+]1CCC(C[NH+]2CCCCCC2)CC1 ZINC000678138917 544609459 /nfs/dbraw/zinc/60/94/59/544609459.db2.gz AUHSJGNRXKDTDO-UHFFFAOYSA-N 2 0 304.482 2.817 20 0 DFADRP COCCC[NH+](C)Cc1ccc(C[N@@H+](C)CCCOC)cc1 ZINC000299285576 229028983 /nfs/dbraw/zinc/02/89/83/229028983.db2.gz XYAOWEALQWZKGA-UHFFFAOYSA-N 2 0 308.466 2.623 20 0 DFADRP Brc1ccc2c(c1)[C@H]([N@H+]1C[C@H]3C[NH2+]C[C@H]3C1)CCC2 ZINC000678312458 544650431 /nfs/dbraw/zinc/65/04/31/544650431.db2.gz JSGUCNBQUYQQGD-DVOMOZLQSA-N 2 0 321.262 2.978 20 0 DFADRP C[C@H]1COCCC[N@@H+]1Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000678275330 544641059 /nfs/dbraw/zinc/64/10/59/544641059.db2.gz VUJMHGYHDZZDFA-KRWDZBQOSA-N 2 0 318.461 2.772 20 0 DFADRP C[C@H](O)C[N@H+](C)C1CC[NH+](CC(C)(C)c2ccccc2)CC1 ZINC000678827601 544731262 /nfs/dbraw/zinc/73/12/62/544731262.db2.gz AVGQNJNFVNLFNM-INIZCTEOSA-N 2 0 304.478 2.741 20 0 DFADRP C[C@H]1CCc2ccccc2[C@H]1[NH2+]C1CCN(CC[NH+](C)C)CC1 ZINC000678766388 544716729 /nfs/dbraw/zinc/71/67/29/544716729.db2.gz KEURWASJSHSTQA-JXFKEZNVSA-N 2 0 315.505 2.926 20 0 DFADRP CC[NH+]1CCN([C@H](C)C[NH2+][C@H]2c3ccccc3CC[C@H]2C)CC1 ZINC000678766082 544716782 /nfs/dbraw/zinc/71/67/82/544716782.db2.gz KVJSCOXQIMAHOS-MBOZVWFJSA-N 2 0 315.505 2.926 20 0 DFADRP C[C@@H]1CCc2ccccc2[C@@H]1[NH2+]CCCC[NH+]1CCN(C)CC1 ZINC000678765872 544716957 /nfs/dbraw/zinc/71/69/57/544716957.db2.gz HLEOJKAXZKHESS-YLJYHZDGSA-N 2 0 315.505 2.927 20 0 DFADRP Cc1cc(N2CC[NH+](C)CC2)ccc1N[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000678999381 544766133 /nfs/dbraw/zinc/76/61/33/544766133.db2.gz AONBIORCUATUGP-IRXDYDNUSA-N 2 0 316.493 2.641 20 0 DFADRP Cc1ccc2c(c1)[C@H]([NH2+]CC(C)(C)N1CC[NH+](C)CC1)[C@H](C)C2 ZINC000679332567 544836887 /nfs/dbraw/zinc/83/68/87/544836887.db2.gz WURPUZMULIDXBV-VQIMIIECSA-N 2 0 315.505 2.844 20 0 DFADRP COCC1(C)CC[NH+](Cc2ccc(OCC[NH+](C)C)cc2)CC1 ZINC000679422640 544852450 /nfs/dbraw/zinc/85/24/50/544852450.db2.gz PJZFYUBVYIWOMZ-UHFFFAOYSA-N 2 0 320.477 2.876 20 0 DFADRP Clc1cccc(OCC[NH+]2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000679435873 544853375 /nfs/dbraw/zinc/85/33/75/544853375.db2.gz DHVZMXSCFSJQDL-UHFFFAOYSA-N 2 0 317.820 2.936 20 0 DFADRP COC1(C[NH2+]Cc2ccc(OCC[NH+]3CCCC3)cc2)CCC1 ZINC000679484315 544859426 /nfs/dbraw/zinc/85/94/26/544859426.db2.gz LYUPURKNXSQQFU-UHFFFAOYSA-N 2 0 318.461 2.820 20 0 DFADRP C[C@H]([NH2+][C@@H]1CCC[C@H](O)C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000679624998 544884473 /nfs/dbraw/zinc/88/44/73/544884473.db2.gz NYKGMYNQNRDXGD-AITUJVMLSA-N 2 0 302.462 2.790 20 0 DFADRP CC[NH+](CC)CCCC1CC[NH+](Cc2ccn(C)c(=O)c2)CC1 ZINC000679872949 544920361 /nfs/dbraw/zinc/92/03/61/544920361.db2.gz CZTLUPFDANNUNP-UHFFFAOYSA-N 2 0 319.493 2.719 20 0 DFADRP CO[C@@H]1CCC[NH+](C[C@@H](C)C[N@H+]2CCC[C@H](OC)CC2)CC1 ZINC000679953866 544932838 /nfs/dbraw/zinc/93/28/38/544932838.db2.gz XOIAXMAUOABMJR-NNZMDNLPSA-N 2 0 312.498 2.624 20 0 DFADRP C[C@H]1C[C@@H](CC[NH2+]Cc2ccc(OCC[NH+](C)C)cc2)CCO1 ZINC000680142047 544963679 /nfs/dbraw/zinc/96/36/79/544963679.db2.gz QXKXRNAIVBZDKT-IRXDYDNUSA-N 2 0 320.477 2.922 20 0 DFADRP C[C@H]([NH2+]CCCc1cnn(C)c1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000680401421 545004635 /nfs/dbraw/zinc/00/46/35/545004635.db2.gz ZCVLUJUAJVNOTC-DOTOQJQBSA-N 2 0 304.482 2.595 20 0 DFADRP C/C(=C\c1ccccc1)C[NH2+]C[C@H](C(C)C)N1CC[NH+](C)CC1 ZINC000102421219 425921229 /nfs/dbraw/zinc/92/12/29/425921229.db2.gz JFSPGZDVKHQPRU-WORNYLJVSA-N 2 0 315.505 2.952 20 0 DFADRP CCC[NH+]1CCC(N2CC[NH+](C[C@H]3CC=CCC3)CC2)CC1 ZINC000124453904 425919856 /nfs/dbraw/zinc/91/98/56/425919856.db2.gz DBUSIPPXWJEHKQ-SFHVURJKSA-N 2 0 305.510 2.835 20 0 DFADRP CCc1nc(C)c([C@H](C)[NH2+]C[C@@H](C)N2CC[NH+](CC)CC2)s1 ZINC000155567999 425920375 /nfs/dbraw/zinc/92/03/75/425920375.db2.gz AGFMZQNENUCZDG-KGLIPLIRSA-N 2 0 324.538 2.691 20 0 DFADRP C[C@@H]([NH2+]CC1CC[NH+](CCN(C)C)CC1)c1cccc(F)c1 ZINC000124505592 425923055 /nfs/dbraw/zinc/92/30/55/425923055.db2.gz SQBFDOKYDMRMEM-OAHLLOKOSA-N 2 0 307.457 2.750 20 0 DFADRP CC[C@H]([NH2+]C[C@@H](C)N1CC[NH+](CC)CC1)c1ccccc1OC ZINC000155722911 425925081 /nfs/dbraw/zinc/92/50/81/425925081.db2.gz NIVGDDMGGDCQRI-AEFFLSMTSA-N 2 0 319.493 2.762 20 0 DFADRP C[C@H](CNC(=O)c1cccc(C[NH+](C)C)c1)C[NH+]1CCCCC1 ZINC000155870255 425929501 /nfs/dbraw/zinc/92/95/01/425929501.db2.gz OAVJRXSXDOWBIL-MRXNPFEDSA-N 2 0 317.477 2.600 20 0 DFADRP COc1ccc([C@@H](C)[NH2+]CCCC[NH3+])cc1Br ZINC000037715434 425849071 /nfs/dbraw/zinc/84/90/71/425849071.db2.gz SEIVNCOKFYQSMT-SNVBAGLBSA-N 2 0 301.228 2.847 20 0 DFADRP CC[NH+](CC)CCCNC(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000044292710 425856075 /nfs/dbraw/zinc/85/60/75/425856075.db2.gz WBNZYDDSPTUFLG-UHFFFAOYSA-N 2 0 306.454 2.602 20 0 DFADRP COC(=O)C1CCC([NH2+]CCC[NH+]2C[C@H](C)C[C@@H](C)C2)CC1 ZINC000192439372 268037050 /nfs/dbraw/zinc/03/70/50/268037050.db2.gz GYUDQNSXQXJWAV-NUWOQIAWSA-N 2 0 310.482 2.676 20 0 DFADRP COC(=O)C1CCC([NH2+]CCC[N@H+](C)C2CCCCC2)CC1 ZINC000192438401 268037245 /nfs/dbraw/zinc/03/72/45/268037245.db2.gz SXMFPZYUVCQYEV-UHFFFAOYSA-N 2 0 310.482 2.962 20 0 DFADRP CC[C@@H](C)NC(=O)[C@@H](C)[NH2+]Cc1cccc(C[NH+](CC)CC)c1 ZINC000194047526 268088779 /nfs/dbraw/zinc/08/87/79/268088779.db2.gz ATUAIUSARGAFPG-HZPDHXFCSA-N 2 0 319.493 2.921 20 0 DFADRP CCCN(CC[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1)C(=O)OC(C)(C)C ZINC000222408679 268141298 /nfs/dbraw/zinc/14/12/98/268141298.db2.gz JCVVCPPRYMBUSH-LSDHHAIUSA-N 2 0 313.486 2.706 20 0 DFADRP CCN(CCC[NH2+]C1CC[NH+](CC)CC1)C(=O)OC(C)(C)C ZINC000223174922 268142608 /nfs/dbraw/zinc/14/26/08/268142608.db2.gz RWSLCXMPDQCUQJ-UHFFFAOYSA-N 2 0 313.486 2.707 20 0 DFADRP CCC[C@H]([NH3+])C(=O)N(CC)[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000236793631 268150514 /nfs/dbraw/zinc/15/05/14/268150514.db2.gz PGJYWKZIXBKHMJ-SZMVWBNQSA-N 2 0 317.477 2.798 20 0 DFADRP CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)C(CC)(CC)C[NH3+])C1 ZINC000236917056 268153134 /nfs/dbraw/zinc/15/31/34/268153134.db2.gz HZZKPVQLCDOFSX-OAHLLOKOSA-N 2 0 311.514 2.768 20 0 DFADRP CCC[C@@](C)([NH3+])C(=O)N(C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000261552521 268168761 /nfs/dbraw/zinc/16/87/61/268168761.db2.gz RPCVOVHJQCHJDO-LJQANCHMSA-N 2 0 317.477 2.627 20 0 DFADRP CNC(=O)C[C@@H](C)[NH2+]Cc1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000268823655 268185602 /nfs/dbraw/zinc/18/56/02/268185602.db2.gz OSEJWTZHFRQRMO-JKSUJKDBSA-N 2 0 317.477 2.533 20 0 DFADRP C[C@H](c1nc2ccccc2o1)[N@H+](C)CCCN(C)CC[NH+](C)C ZINC000289173303 268279838 /nfs/dbraw/zinc/27/98/38/268279838.db2.gz FMSZOYNQZUEWKL-OAHLLOKOSA-N 2 0 318.465 2.704 20 0 DFADRP Cc1cc(OCCN2CCCO[C@@H](C[NH3+])C2)ccc1C(C)C ZINC000313348280 268339384 /nfs/dbraw/zinc/33/93/84/268339384.db2.gz INLQINBBGZWJSU-KRWDZBQOSA-N 2 0 306.450 2.547 20 0 DFADRP C[C@@H](c1ccc(C(F)(F)F)cc1)N1CCCO[C@@H](C[NH3+])C1 ZINC000313337738 268339448 /nfs/dbraw/zinc/33/94/48/268339448.db2.gz JSAPJTSAZXDWBC-FZMZJTMJSA-N 2 0 302.340 2.816 20 0 DFADRP COc1ccc(C[NH2+]CCc2cn(C)cn2)c(Br)c1 ZINC000313262744 268339680 /nfs/dbraw/zinc/33/96/80/268339680.db2.gz LFZBPDDXQGHSGS-UHFFFAOYSA-N 2 0 324.222 2.524 20 0 DFADRP C[C@@H]([NH2+]C1CCC(C(N)=O)CC1)c1ccc(-n2ccnc2)cc1 ZINC000319995788 268347379 /nfs/dbraw/zinc/34/73/79/268347379.db2.gz KWZPAWAHKLZJTF-IUDNXUCKSA-N 2 0 312.417 2.567 20 0 DFADRP c1ccc2c(c1)CCN2CCC[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000321004984 268348114 /nfs/dbraw/zinc/34/81/14/268348114.db2.gz RDXMDBFMWFKFJL-OTWHNJEPSA-N 2 0 313.489 2.950 20 0 DFADRP Cc1ccc([C@@H]([NH3+])C(=O)N2CCC(C[N@@H+](C)C(C)C)CC2)cc1 ZINC000323175068 268349495 /nfs/dbraw/zinc/34/94/95/268349495.db2.gz BLTWMHICTJJPSZ-GOSISDBHSA-N 2 0 317.477 2.574 20 0 DFADRP C[C@H](C(=O)Nc1cccc(F)c1)N1CCC[C@@H](c2ncc[nH]2)C1 ZINC000332104283 268359087 /nfs/dbraw/zinc/35/90/87/268359087.db2.gz FNMPQOSDLFMZOC-CHWSQXEVSA-N 2 0 316.380 2.755 20 0 DFADRP O=C([C@@H]1CCC[N@@H+]1C1CCCC1)N1CCC(c2c[nH]cn2)CC1 ZINC000333280932 268388938 /nfs/dbraw/zinc/38/89/38/268388938.db2.gz IVVSUJNQOBBLEK-KRWDZBQOSA-N 2 0 316.449 2.523 20 0 DFADRP C[C@H]([NH3+])[C@H]1COCC[C@@H]1NCC1([NH+]2CCCCC2)CCCCC1 ZINC000333299880 268390414 /nfs/dbraw/zinc/39/04/14/268390414.db2.gz PWUIOZBBUMYRAB-KSZLIROESA-N 2 0 323.525 2.517 20 0 DFADRP COCCCCC[NH+]1CCC(C[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000103227878 425939238 /nfs/dbraw/zinc/93/92/38/425939238.db2.gz SXBAGRXMKHFQMR-IAGOWNOFSA-N 2 0 312.498 2.624 20 0 DFADRP CC[NH+]1CCN([C@@H]2CC[N@H+](Cc3cc(C)cc(C)c3)C2)CC1 ZINC000107370465 425989719 /nfs/dbraw/zinc/98/97/19/425989719.db2.gz FLPLPVVMMHBVAB-LJQANCHMSA-N 2 0 301.478 2.515 20 0 DFADRP C[NH+]1CCN(c2ncccc2C[NH2+][C@@H]2CCc3ccccc32)CC1 ZINC000158454144 425941938 /nfs/dbraw/zinc/94/19/38/425941938.db2.gz OFZSXBVSCSFRKW-LJQANCHMSA-N 2 0 322.456 2.611 20 0 DFADRP CC[C@H]1CCCCN1C(=O)[C@@H](C)N1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000158755078 425947178 /nfs/dbraw/zinc/94/71/78/425947178.db2.gz ZWEVVUCCPNSOPE-ZJPYXAASSA-N 2 0 321.509 2.582 20 0 DFADRP C[C@H]1CCCC[N@@H+]1CCC1CC[NH+](CC(=O)N(C)C2CC2)CC1 ZINC000158909768 425949821 /nfs/dbraw/zinc/94/98/21/425949821.db2.gz LBGNULWHPZFFCZ-INIZCTEOSA-N 2 0 321.509 2.584 20 0 DFADRP Cc1nc2ccccn2c1C[N@@H+]1CC[C@@H](CNc2ccccn2)C1 ZINC000159237223 425956445 /nfs/dbraw/zinc/95/64/45/425956445.db2.gz XUUMQBIBSWVQPA-INIZCTEOSA-N 2 0 321.428 2.972 20 0 DFADRP CC[NH+]1CCN(c2ccc(C[NH2+][C@@H]3CCC34CCC4)cn2)CC1 ZINC000337406153 268488365 /nfs/dbraw/zinc/48/83/65/268488365.db2.gz SPZURQSTNXXRMZ-QGZVFWFLSA-N 2 0 314.477 2.646 20 0 DFADRP CCC[NH+]1CCC([NH2+]C2CCN(c3nc(C)cs3)CC2)CC1 ZINC000161600479 426031054 /nfs/dbraw/zinc/03/10/54/426031054.db2.gz MUOLQFJYDNSAPT-UHFFFAOYSA-N 2 0 322.522 2.884 20 0 DFADRP CCC[C@H](C(=O)NCc1ccccc1C[N@H+](C)C(C)C)[NH+](C)C ZINC000161612097 426032272 /nfs/dbraw/zinc/03/22/72/426032272.db2.gz IVYOYCGLSIBJEK-GOSISDBHSA-N 2 0 319.493 2.873 20 0 DFADRP COc1ccc([C@H](C)N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)c(OC)c1 ZINC000161639674 426033459 /nfs/dbraw/zinc/03/34/59/426033459.db2.gz OPLKPDZOZLHJMO-SOUVJXGZSA-N 2 0 304.434 2.981 20 0 DFADRP CCC[C@@H](C(=O)Nc1ccc(CC[NH+]2CCCC2)cc1)[NH+](C)C ZINC000161753463 426037683 /nfs/dbraw/zinc/03/76/83/426037683.db2.gz JOGMDTYYRFKSJO-SFHVURJKSA-N 2 0 317.477 2.994 20 0 DFADRP C[C@H](c1ccccc1)[NH+]1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000111230880 426039552 /nfs/dbraw/zinc/03/95/52/426039552.db2.gz WLZHCYOLPNTTRK-MJGOQNOKSA-N 2 0 301.478 2.850 20 0 DFADRP C[C@H](c1ccccc1)[NH+]1CCN(C[C@H]2CCCC[N@@H+]2C)CC1 ZINC000111230882 426039642 /nfs/dbraw/zinc/03/96/42/426039642.db2.gz WLZHCYOLPNTTRK-IEBWSBKVSA-N 2 0 301.478 2.850 20 0 DFADRP CCC[C@@H](C(=O)NC[C@@H](c1ccco1)[NH+](CC)CC)[NH+](C)C ZINC000161805624 426040273 /nfs/dbraw/zinc/04/02/73/426040273.db2.gz LUWGXJUDMGFAGV-GJZGRUSLSA-N 2 0 309.454 2.509 20 0 DFADRP C(CN1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1)C[NH+]1CCCCC1 ZINC000161984495 426048409 /nfs/dbraw/zinc/04/84/09/426048409.db2.gz KBXLNPIXIHCMAY-MJGOQNOKSA-N 2 0 305.510 2.811 20 0 DFADRP Cc1ccccc1C[NH+]1CCC(N[C@H]2CC[N@@H+](C)C[C@@H]2C)CC1 ZINC000162145730 426054207 /nfs/dbraw/zinc/05/42/07/426054207.db2.gz VASHGEKKWPVYML-PXNSSMCTSA-N 2 0 315.505 2.889 20 0 DFADRP Cc1ccccc1C[NH+]1CCC(N[C@@H]2CC[N@@H+](C)C[C@@H]2C)CC1 ZINC000162145637 426054395 /nfs/dbraw/zinc/05/43/95/426054395.db2.gz VASHGEKKWPVYML-FXAWDEMLSA-N 2 0 315.505 2.889 20 0 DFADRP C[C@H](C[NH2+][C@H](C)C(C)(C)c1ccccc1)N1CC[NH+](C)CC1 ZINC000127346060 426062612 /nfs/dbraw/zinc/06/26/12/426062612.db2.gz PFCGKSMPXRMNBU-IAGOWNOFSA-N 2 0 303.494 2.578 20 0 DFADRP CCC[C@@H]([NH2+]C[C@@H](C)N1CC[NH+](C)CC1)c1ccc(OC)cc1 ZINC000127373423 426063707 /nfs/dbraw/zinc/06/37/07/426063707.db2.gz APUCUEAGBSLWLT-VQIMIIECSA-N 2 0 319.493 2.762 20 0 DFADRP CCC[C@@H]([NH2+]C[C@H](C)N1CC[NH+](C)CC1)c1ccc(OC)cc1 ZINC000127373885 426063785 /nfs/dbraw/zinc/06/37/85/426063785.db2.gz APUCUEAGBSLWLT-QFBILLFUSA-N 2 0 319.493 2.762 20 0 DFADRP C[C@H]1CC[C@@H]([NH2+]CCCN2CC[NH+](C)CC2)c2ccccc21 ZINC000162544819 426068531 /nfs/dbraw/zinc/06/85/31/426068531.db2.gz PRZFPYWJDVPWOO-QFBILLFUSA-N 2 0 301.478 2.852 20 0 DFADRP C[C@H]([NH2+]CCCN1CC[NH+](C)CC1)c1cc2c(s1)CCC2 ZINC000162531014 426068687 /nfs/dbraw/zinc/06/86/87/426068687.db2.gz HNNCCMDHGSRBIF-AWEZNQCLSA-N 2 0 307.507 2.525 20 0 DFADRP C[C@H]([NH2+]CC1CC[NH+](C)CC1)c1cccc(OCC[NH+](C)C)c1 ZINC000126241817 426010981 /nfs/dbraw/zinc/01/09/81/426010981.db2.gz YRWAAMYRFKOMJR-INIZCTEOSA-N 3 0 319.493 2.619 20 0 DFADRP C[C@@H]([NH2+]CC1CC[NH+](C)CC1)c1cnn(Cc2ccccc2)c1 ZINC000126352997 426016539 /nfs/dbraw/zinc/01/65/39/426016539.db2.gz UMXDRQGFDXIVMF-MRXNPFEDSA-N 2 0 312.461 2.924 20 0 DFADRP CC(C)[NH+]1CCC(C(=O)NC[C@]2([NH+](C)C)CCC[C@H](C)C2)CC1 ZINC000073025124 426022054 /nfs/dbraw/zinc/02/20/54/426022054.db2.gz YXDSVIGYTZEXTA-LPHOPBHVSA-N 2 0 323.525 2.734 20 0 DFADRP Cc1cc([C@@H](C)[NH2+]C[C@H](C)N2CC[NH+](C)CC2)cc(C)c1F ZINC000127844248 426089099 /nfs/dbraw/zinc/08/90/99/426089099.db2.gz CXNLTQMAIUKXQK-JKSUJKDBSA-N 2 0 307.457 2.729 20 0 DFADRP C[C@H]([NH3+])[C@H]1CCN(Cc2cc(Br)ccc2F)C1 ZINC000163207593 426092011 /nfs/dbraw/zinc/09/20/11/426092011.db2.gz KMXHFMFJOCAUNS-UWVGGRQHSA-N 2 0 301.203 2.757 20 0 DFADRP C[C@@H]([NH3+])[C@H]1CCN(Cc2cc(Br)ccc2F)C1 ZINC000163207702 426092166 /nfs/dbraw/zinc/09/21/66/426092166.db2.gz KMXHFMFJOCAUNS-ZJUUUORDSA-N 2 0 301.203 2.757 20 0 DFADRP C[C@H](C[NH2+]CCCC[N@@H+]1CCC[C@@H]1CO)c1ccc(F)cc1 ZINC000127906069 426092538 /nfs/dbraw/zinc/09/25/38/426092538.db2.gz RKOHIHPUWOVCED-CRAIPNDOSA-N 2 0 308.441 2.756 20 0 DFADRP C[C@@H]([C@H](C)[NH2+]CCC[N@@H+]1CCC[C@H](C(N)=O)C1)C1CCCCC1 ZINC000128066429 426099921 /nfs/dbraw/zinc/09/99/21/426099921.db2.gz GVSUZWVDCIBOKA-BQFCYCMXSA-N 2 0 323.525 2.768 20 0 DFADRP C[C@@H]([NH2+]CC1CC[NH+](CC(=O)NC(C)(C)C)CC1)C1CCCC1 ZINC000163542339 426103559 /nfs/dbraw/zinc/10/35/59/426103559.db2.gz KODSQRCQMDWGFF-OAHLLOKOSA-N 2 0 323.525 2.781 20 0 DFADRP CCc1nc(C)c([C@H](C)[NH2+]CCCN2CCC[N@H+](C)CC2)s1 ZINC000128247402 426109412 /nfs/dbraw/zinc/10/94/12/426109412.db2.gz OCAHJRIDYIXHRI-AWEZNQCLSA-N 2 0 324.538 2.692 20 0 DFADRP CC[NH+](CC)CCN(Cc1cccs1)C(=O)[C@H]1CC[C@H]([NH3+])C1 ZINC000163801609 426109760 /nfs/dbraw/zinc/10/97/60/426109760.db2.gz LNKPSEXILWPXKW-GJZGRUSLSA-N 2 0 323.506 2.546 20 0 DFADRP C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2CNC(=O)C(C)(C)[NH3+])C1 ZINC000164843698 426118078 /nfs/dbraw/zinc/11/80/78/426118078.db2.gz OKMYERLYPBWMCU-GASCZTMLSA-N 2 0 317.477 2.518 20 0 DFADRP C[N@@H+]1CCCN(CCC[NH2+][C@@H]2CCCOc3ccccc32)CC1 ZINC000128481764 426118667 /nfs/dbraw/zinc/11/86/67/426118667.db2.gz ROUNUHOZXXYVLS-GOSISDBHSA-N 2 0 317.477 2.518 20 0 DFADRP C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)c2ccc(C[NH3+])cc2)C1 ZINC000166046762 426126226 /nfs/dbraw/zinc/12/62/26/426126226.db2.gz FYORQUILLJTADW-GASCZTMLSA-N 2 0 317.477 2.632 20 0 DFADRP CC[C@@H](C)[C@H]([NH3+])C(=O)NCC(C)(C)[NH2+][C@@H](C)c1ccccc1 ZINC000167621984 426133280 /nfs/dbraw/zinc/13/32/80/426133280.db2.gz RVRVPGHSBWWTGY-YCPHGPKFSA-N 2 0 305.466 2.605 20 0 DFADRP C[C@@H]([NH2+]C(C)(C)CNC(=O)[C@@H]1CCC[C@H]([NH3+])C1)c1ccccc1 ZINC000167619166 426133660 /nfs/dbraw/zinc/13/36/60/426133660.db2.gz UAGVIAFIGMEPAQ-OIISXLGYSA-N 2 0 317.477 2.750 20 0 DFADRP C[C@H](C[NH2+]C1CCN(CC[NH+](C)C)CC1)c1ccc(F)cc1 ZINC000127581228 426073646 /nfs/dbraw/zinc/07/36/46/426073646.db2.gz ZEFYJYBYXCTEIU-OAHLLOKOSA-N 2 0 307.457 2.545 20 0 DFADRP CC(C)[C@@H](C[NH2+]C[C@@H](C)c1ccc(F)cc1)N1CC[NH+](C)CC1 ZINC000127578204 426073719 /nfs/dbraw/zinc/07/37/19/426073719.db2.gz JTQQMFVZCLNPFF-VQIMIIECSA-N 2 0 321.484 2.791 20 0 DFADRP CC[NH+](CC)[C@H](C)CN[C@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C ZINC000127661922 426078577 /nfs/dbraw/zinc/07/85/77/426078577.db2.gz MXSCIZIKIVHLMP-SCTDSRPQSA-N 2 0 318.509 2.612 20 0 DFADRP COc1cccc([C@H](CN[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)[NH+](C)C)c1 ZINC000127659370 426078997 /nfs/dbraw/zinc/07/89/97/426078997.db2.gz KGWGIWLZBMHTIG-LMMKCTJWSA-N 2 0 317.477 2.514 20 0 DFADRP CC(C)Oc1ccc([C@@H](C)[NH2+]C[C@@H](C)N2CC[NH+](C)CC2)cc1 ZINC000127668010 426079032 /nfs/dbraw/zinc/07/90/32/426079032.db2.gz YPWCNZZKJGALAG-IAGOWNOFSA-N 2 0 319.493 2.760 20 0 DFADRP C[NH+](C)CCC1CC[NH+](CCc2ccc3c(c2)CCO3)CC1 ZINC000075644989 426079900 /nfs/dbraw/zinc/07/99/00/426079900.db2.gz TZSXAQPNGAICNA-UHFFFAOYSA-N 2 0 302.462 2.828 20 0 DFADRP C[C@H](C[NH2+][C@@H]1CCc2cc(Cl)ccc21)N1CC[NH+](C)CC1 ZINC000127744764 426083750 /nfs/dbraw/zinc/08/37/50/426083750.db2.gz WKOAJGOANJARQA-CXAGYDPISA-N 2 0 307.869 2.553 20 0 DFADRP COC(=O)c1ccc(C[N@H+](C)CCCn2ccnc2C)s1 ZINC000130359028 426156672 /nfs/dbraw/zinc/15/66/72/426156672.db2.gz VZHDZJBHTQWCCV-UHFFFAOYSA-N 2 0 307.419 2.562 20 0 DFADRP C[NH+](C)C1CCN(CC[NH2+][C@H]2CC[C@@H](c3ccccc3)C2)CC1 ZINC000131988374 426166884 /nfs/dbraw/zinc/16/68/84/426166884.db2.gz LXKXJOHYKFFYIR-MOPGFXCFSA-N 2 0 315.505 2.938 20 0 DFADRP C[C@@H]1C[N@H+](C)CC[C@@H]1NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000134170656 426186143 /nfs/dbraw/zinc/18/61/43/426186143.db2.gz PGVOXXIBOKYGJI-PMPSAXMXSA-N 2 0 307.507 2.815 20 0 DFADRP CC[NH+](CC)Cc1cccc(CNC(=O)[C@@]2(CC)CCC[NH2+]2)c1 ZINC000134565721 426188261 /nfs/dbraw/zinc/18/82/61/426188261.db2.gz GXMHDESXFABGMM-LJQANCHMSA-N 2 0 317.477 2.677 20 0 DFADRP CC[C@@H](C(=O)OC)[NH+]1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC000171501522 426190971 /nfs/dbraw/zinc/19/09/71/426190971.db2.gz JNBCDPSECUXPBI-SFHVURJKSA-N 2 0 318.461 2.782 20 0 DFADRP C[C@@H]1CN(Cc2ccccn2)CC[C@@H]1[NH2+]CCc1cscn1 ZINC000134857708 426196984 /nfs/dbraw/zinc/19/69/84/426196984.db2.gz UJYRLQAPDUAESF-PBHICJAKSA-N 2 0 316.474 2.581 20 0 DFADRP CC[N@@H+]1CC[C@H]([NH+](C)CCOc2ccccc2OC)[C@H](C)C1 ZINC000081096233 426219860 /nfs/dbraw/zinc/21/98/60/426219860.db2.gz JJFLKQGPKYZPDT-CVEARBPZSA-N 2 0 306.450 2.736 20 0 DFADRP CC(C)[N@@H+]1CCCC[C@H]1C(=O)N1CCC[NH+](C2CCCC2)CC1 ZINC000172623860 426229381 /nfs/dbraw/zinc/22/93/81/426229381.db2.gz KCGLVAVZZICBDW-SFHVURJKSA-N 2 0 321.509 2.726 20 0 DFADRP C[C@@H](C(=O)NC[C@H](c1cccs1)[NH+](C)C)[NH+]1CCCCCC1 ZINC000118757015 426243048 /nfs/dbraw/zinc/24/30/48/426243048.db2.gz ZFCNRVSEAQPQHE-LSDHHAIUSA-N 2 0 323.506 2.732 20 0 DFADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1NC[C@@H]1CCC[NH+]1Cc1ccccc1 ZINC000119113543 426263945 /nfs/dbraw/zinc/26/39/45/426263945.db2.gz JVPHIVISLZFTGN-LCLWPZTBSA-N 2 0 315.505 2.969 20 0 DFADRP C[NH+](C)CCN1CCC([NH2+][C@@H](Cc2ccccc2)C2CC2)CC1 ZINC000150949913 426269320 /nfs/dbraw/zinc/26/93/20/426269320.db2.gz IWQZMWXYMZVXAP-FQEVSTJZSA-N 2 0 315.505 2.623 20 0 DFADRP Cc1cc(NC(=O)N[C@@H]2CC[N@H+](CC3CCCC3)C2)ccn1 ZINC000119483596 426292281 /nfs/dbraw/zinc/29/22/81/426292281.db2.gz KTTFSGQXGPPATK-MRXNPFEDSA-N 2 0 302.422 2.776 20 0 DFADRP CC(C)[C@H](C(=O)N1CCC[C@@H](C[NH+]2CCC(C)CC2)C1)[NH+](C)C ZINC000151547074 426301207 /nfs/dbraw/zinc/30/12/07/426301207.db2.gz PGSBRMBXXDZTPM-ZWKOTPCHSA-N 2 0 323.525 2.543 20 0 DFADRP COC(=O)c1cc(CN(C)[C@H]2CC[N@H+](C)[C@H](C)C2)c(C)s1 ZINC000151663339 426306330 /nfs/dbraw/zinc/30/63/30/426306330.db2.gz PPAQSZYDIKQSAB-RISCZKNCSA-N 2 0 310.463 2.758 20 0 DFADRP CC(C)[C@@H](Cc1ccc(F)cc1)[NH2+]CC1CC[NH+](CCO)CC1 ZINC000151842575 426315132 /nfs/dbraw/zinc/31/51/32/426315132.db2.gz XWMPQZOXHSECJP-LJQANCHMSA-N 2 0 322.468 2.687 20 0 DFADRP C[C@H](C[NH2+][C@H](C)C(C)(C)c1ccccc1)CN1CC[NH+](C)CC1 ZINC000120810466 426315655 /nfs/dbraw/zinc/31/56/55/426315655.db2.gz GQYQDBKWFUVWAI-QZTJIDSGSA-N 2 0 317.521 2.826 20 0 DFADRP CC(C)Oc1ccc([C@@H](C)[NH2+]CC2CC[NH+](CCO)CC2)cc1 ZINC000151855221 426315775 /nfs/dbraw/zinc/31/57/75/426315775.db2.gz RVBIVGUOKWLZRQ-MRXNPFEDSA-N 2 0 320.477 2.829 20 0 DFADRP C[C@H]1CC[C@H]([NH2+]CC2CC[NH+](CCO)CC2)c2ccccc21 ZINC000151856156 426315814 /nfs/dbraw/zinc/31/58/14/426315814.db2.gz BXWPBXHEGLZPCJ-KXBFYZLASA-N 2 0 302.462 2.919 20 0 DFADRP C[C@@H]([NH2+]CC1CC[NH+](CCO)CC1)c1cc2ccccc2o1 ZINC000151878077 426316674 /nfs/dbraw/zinc/31/66/74/426316674.db2.gz ZEFXIIMXQBOZFV-CQSZACIVSA-N 2 0 302.418 2.788 20 0 DFADRP Cc1cc(C)c([C@@H](C)[NH2+]CC2CC[NH+](CCO)CC2)cc1C ZINC000151879945 426317939 /nfs/dbraw/zinc/31/79/39/426317939.db2.gz JNHKKGPFZSXIFC-QGZVFWFLSA-N 2 0 304.478 2.967 20 0 DFADRP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@@H](C)c2sccc2C)CC1 ZINC000121230425 426328144 /nfs/dbraw/zinc/32/81/44/426328144.db2.gz JZKVZYUSNRKZAA-ZBFHGGJFSA-N 2 0 309.523 2.981 20 0 DFADRP CCN(CC)C(=O)C[C@@H](C)[NH2+]C[C@H]1CCC[N@H+](CC(C)C)C1 ZINC000090585192 426329706 /nfs/dbraw/zinc/32/97/06/426329706.db2.gz NVRRXPYLBQOPSF-IAGOWNOFSA-N 2 0 311.514 2.591 20 0 DFADRP C[C@H]1C[NH+](CCC2CC[NH+](C/C=C/Cl)CC2)C[C@H](C)O1 ZINC000175797530 426329845 /nfs/dbraw/zinc/32/98/45/426329845.db2.gz WXOZYPUKDCPWJN-XUGXEBBFSA-N 2 0 300.874 2.950 20 0 DFADRP COC[C@@H]([NH2+][C@@H](C)c1ccc(OCC[NH+](C)C)cc1)C1CC1 ZINC000090717283 426330208 /nfs/dbraw/zinc/33/02/08/426330208.db2.gz ZEUUZGUDRXWHHJ-KBXCAEBGSA-N 2 0 306.450 2.703 20 0 DFADRP COCCCOc1cccc(C[NH2+][C@H]2C[C@H](C)[N@H+](C)C[C@H]2C)c1 ZINC000090719023 426331043 /nfs/dbraw/zinc/33/10/43/426331043.db2.gz OFWMLPAHEWCJLQ-GJYPPUQNSA-N 2 0 320.477 2.920 20 0 DFADRP CCc1nc2c(s1)[C@H](NC[C@H](O)C[NH+]1CCCCC1)CCC2 ZINC000151295794 426287889 /nfs/dbraw/zinc/28/78/89/426287889.db2.gz SUPOXYREJDXVCY-UONOGXRCSA-N 2 0 323.506 2.519 20 0 DFADRP Cn1ncc2c1CCC[C@@H]2[NH2+]CCCN1CCc2ccccc2C1 ZINC000122814311 426396047 /nfs/dbraw/zinc/39/60/47/426396047.db2.gz YEYNSPOMNPWZIF-IBGZPJMESA-N 2 0 324.472 2.836 20 0 DFADRP C[C@H]([NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1)c1ccc([S@@](C)=O)cc1 ZINC000152447626 426342679 /nfs/dbraw/zinc/34/26/79/426342679.db2.gz RKNVNTYAVAQOKA-RXSFTSLZSA-N 2 0 306.475 2.559 20 0 DFADRP C[C@H]([NH2+]CC1(N2CCCCC2)CC[NH+](C)CC1)c1nccs1 ZINC000091729764 426342869 /nfs/dbraw/zinc/34/28/69/426342869.db2.gz VPTVRPKOTLOZLU-HNNXBMFYSA-N 2 0 322.522 2.744 20 0 DFADRP CCC[C@H](CCO)C[NH2+][C@@H]1CCN(Cc2ccccn2)C[C@@H]1C ZINC000152521402 426345604 /nfs/dbraw/zinc/34/56/04/426345604.db2.gz DQWWFUWHVSXVAI-YQVWRLOYSA-N 2 0 319.493 2.680 20 0 DFADRP C[C@H]1CCC[C@H](C[NH+]2CCN(C[C@@H]3CCCC[N@@H+]3C)CC2)C1 ZINC000092796436 426352812 /nfs/dbraw/zinc/35/28/12/426352812.db2.gz ZGAPTDHKWBDIKK-FHWLQOOXSA-N 2 0 307.526 2.915 20 0 DFADRP Cc1c(C[NH2+]C[C@]2(C)CCCN2Cc2ccccc2)cnn1C ZINC000121794087 426353480 /nfs/dbraw/zinc/35/34/80/426353480.db2.gz AHCWBVBNAUFMGA-IBGZPJMESA-N 2 0 312.461 2.873 20 0 DFADRP CC(C)[C@H](C)NC(=O)C[NH+]1CCC(CCC[NH+]2CCCC2)CC1 ZINC000121798974 426353680 /nfs/dbraw/zinc/35/36/80/426353680.db2.gz QQTXJRIRRJQXQA-KRWDZBQOSA-N 2 0 323.525 2.735 20 0 DFADRP CC(C)CNC(=O)[C@@H](C)[NH+]1CCC(CCC[NH+]2CCCC2)CC1 ZINC000121805186 426353818 /nfs/dbraw/zinc/35/38/18/426353818.db2.gz FEQXHQXOWDZIEA-QGZVFWFLSA-N 2 0 323.525 2.735 20 0 DFADRP Cc1nn(C)cc1C[NH2+]C[C@]1(C)CCCN1Cc1ccccc1 ZINC000121817169 426354382 /nfs/dbraw/zinc/35/43/82/426354382.db2.gz MTUUEQDQIVAPLI-IBGZPJMESA-N 2 0 312.461 2.873 20 0 DFADRP COCC[N@H+](C)CCCC1CC[NH+](C[C@@H]2CCCCO2)CC1 ZINC000122191472 426362794 /nfs/dbraw/zinc/36/27/94/426362794.db2.gz YFDJBTBADLQHAK-SFHVURJKSA-N 2 0 312.498 2.626 20 0 DFADRP C[C@H]1C[C@@H]([NH2+][C@@H]2CCCN(Cc3ccccc3)C2)CCN1C ZINC000152980941 426365164 /nfs/dbraw/zinc/36/51/64/426365164.db2.gz ZDKZPBXPJSNYQR-YTQUADARSA-N 2 0 301.478 2.723 20 0 DFADRP COCC[N@H+](C)CCC[NH2+][C@@H]1CSCCc2ccccc21 ZINC000153779932 426406031 /nfs/dbraw/zinc/40/60/31/426406031.db2.gz JSEPHMUQBJUMON-QGZVFWFLSA-N 2 0 308.491 2.575 20 0 DFADRP C[C@@H]1C[C@@H](NCc2ccnc(OC3CCCC3)c2)CC[N@@H+]1C ZINC000153333848 426380290 /nfs/dbraw/zinc/38/02/90/426380290.db2.gz IOYCAXGECWTCIQ-ZBFHGGJFSA-N 2 0 303.450 2.975 20 0 DFADRP CCc1ccc(NC(=O)CN(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)cc1 ZINC000123024044 426408654 /nfs/dbraw/zinc/40/86/54/426408654.db2.gz PLFICJKXEHVULW-RHSMWYFYSA-N 2 0 303.450 2.602 20 0 DFADRP CCSCC[NH+]1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000123041624 426410167 /nfs/dbraw/zinc/41/01/67/426410167.db2.gz MLAOMLUHFGETFQ-GASCZTMLSA-N 2 0 300.512 2.561 20 0 DFADRP Cc1ccc(CN2CCN(CC[NH+]3[C@H](C)CC[C@H]3C)CC2)cc1 ZINC000153976298 426415693 /nfs/dbraw/zinc/41/56/93/426415693.db2.gz WAMNDGWNVZAGGB-RTBURBONSA-N 2 0 315.505 2.985 20 0 DFADRP CC(C)CCNC(=O)[C@@H](C)[NH+]1CCC(CCC[NH+](C)C)CC1 ZINC000123203692 426419557 /nfs/dbraw/zinc/41/95/57/426419557.db2.gz KZGCJHFPZBZOJY-MRXNPFEDSA-N 2 0 311.514 2.591 20 0 DFADRP CC[NH2+]Cc1cccc(NC(=O)CSCC[NH+](CC)CC)c1 ZINC000123275948 426423645 /nfs/dbraw/zinc/42/36/45/426423645.db2.gz JCAACUBWEPURCP-UHFFFAOYSA-N 2 0 323.506 2.810 20 0 DFADRP CCc1ccc([C@H](C)[NH2+]CCCN2CC[NH+](CC)CC2)cc1 ZINC000154231225 426431328 /nfs/dbraw/zinc/43/13/28/426431328.db2.gz RRXMKOOHRBSEKQ-KRWDZBQOSA-N 2 0 303.494 2.927 20 0 DFADRP CC[NH+]1CCN(CCC[NH2+][C@@H](CC(C)C)c2ccccn2)CC1 ZINC000154226947 426431849 /nfs/dbraw/zinc/43/18/49/426431849.db2.gz GRMBAOBIEBYMKH-IBGZPJMESA-N 2 0 318.509 2.786 20 0 DFADRP COc1ccc(OCCC[N@H+](C)[C@H]2CCN(C)[C@H](C)C2)cc1 ZINC000123449806 426435123 /nfs/dbraw/zinc/43/51/23/426435123.db2.gz SEGFXEJLFKTXPH-CVEARBPZSA-N 2 0 306.450 2.879 20 0 DFADRP CC[NH+]1CCN(CCCC[NH2+][C@H](C)c2cccnc2Cl)CC1 ZINC000154475674 426441770 /nfs/dbraw/zinc/44/17/70/426441770.db2.gz HDJKWUIGQQSRSE-OAHLLOKOSA-N 2 0 324.900 2.803 20 0 DFADRP C[C@@]1(C[N@@H+]2CC[C@@H](OCCCc3ccccc3)C2)CC[NH2+]C1 ZINC000340706162 269001817 /nfs/dbraw/zinc/00/18/17/269001817.db2.gz GFSPNZXDDUEVOI-RTBURBONSA-N 2 0 302.462 2.710 20 0 DFADRP COCCC[N@H+](CCc1ccc(OC)cc1)C[C@@]1(C)CC[NH2+]C1 ZINC000340706112 269002388 /nfs/dbraw/zinc/00/23/88/269002388.db2.gz FYLYYVINWKIPAZ-IBGZPJMESA-N 2 0 320.477 2.576 20 0 DFADRP CC(C)[C@@H](C(=O)N1CCC[C@H]([NH+]2CCCC2)C1)[NH+]1CCCCC1 ZINC000341000023 269035711 /nfs/dbraw/zinc/03/57/11/269035711.db2.gz HIABYDDTUOPNIC-ROUUACIJSA-N 2 0 321.509 2.584 20 0 DFADRP C[C@H](O)C[C@H](C)[NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]12 ZINC000341332201 269071144 /nfs/dbraw/zinc/07/11/44/269071144.db2.gz SOUXREDPZMDGRQ-NXJYUQPGSA-N 2 0 302.462 2.646 20 0 DFADRP CC[NH+]1CCN(Cc2ccccc2C[NH2+][C@@H](C)C2CC2)CC1 ZINC000177223756 426456749 /nfs/dbraw/zinc/45/67/49/426456749.db2.gz WKHDZJYSDKLPIU-INIZCTEOSA-N 2 0 301.478 2.712 20 0 DFADRP COc1cccc([C@H](C[NH2+][C@H](C)[C@@H]2CCOC2)N2CCCC2)c1 ZINC000154835753 426457766 /nfs/dbraw/zinc/45/77/66/426457766.db2.gz ASFXCLPZVJAFKQ-SUMDDJOVSA-N 2 0 318.461 2.847 20 0 DFADRP COCCC[NH+]1CCC([NH2+][C@@H](C)c2cccc(OC)c2)CC1 ZINC000177281142 426463210 /nfs/dbraw/zinc/46/32/10/426463210.db2.gz DEDVDRGJMIIMBH-HNNXBMFYSA-N 2 0 306.450 2.847 20 0 DFADRP CC[N@@H+]1CC[C@@H](C[NH2+]Cc2ccc(OC)c(OC(F)F)c2)C1 ZINC000124146145 426472007 /nfs/dbraw/zinc/47/20/07/426472007.db2.gz LTFOBMCUAGHJIT-ZDUSSCGKSA-N 2 0 314.376 2.728 20 0 DFADRP CC[N@@H+]1CC[C@H](C[NH2+][C@@H](C)Cc2ccc(OC)c(OC)c2)C1 ZINC000124160007 426473497 /nfs/dbraw/zinc/47/34/97/426473497.db2.gz WRLHUUGZARMRAK-GOEBONIOSA-N 2 0 306.450 2.566 20 0 DFADRP COc1ccc(C[C@H](C)[NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)cc1OC ZINC000124358151 426481482 /nfs/dbraw/zinc/48/14/82/426481482.db2.gz JPMKEOGHNYHATQ-GOEBONIOSA-N 2 0 318.461 2.709 20 0 DFADRP C[N@H+](CCCn1ccnc1)CC(=O)Nc1cccc2ccccc21 ZINC000124410602 426483501 /nfs/dbraw/zinc/48/35/01/426483501.db2.gz CGOUQHCCJNXSPQ-UHFFFAOYSA-N 2 0 322.412 2.997 20 0 DFADRP C[NH+](C)CCC1CC[NH+](Cc2cccc3c2OCCO3)CC1 ZINC000101726960 426486081 /nfs/dbraw/zinc/48/60/81/426486081.db2.gz BJFFUVVBJPUFLN-UHFFFAOYSA-N 2 0 304.434 2.622 20 0 DFADRP c1cc(C[NH+]2CCC(C[NH+]3CCCC3)CC2)c2c(c1)OCCO2 ZINC000101726553 426486106 /nfs/dbraw/zinc/48/61/06/426486106.db2.gz SSLYJIBPKPRQAQ-UHFFFAOYSA-N 2 0 316.445 2.766 20 0 DFADRP COC[C@H]([NH2+][C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1)C1CC1 ZINC000272364362 426507646 /nfs/dbraw/zinc/50/76/46/426507646.db2.gz SPBSZPJDGWXSGD-IPELMVKDSA-N 2 0 302.462 2.912 20 0 DFADRP C[NH+]1CCC(O)(C[NH2+]Cc2ccc(Oc3ccccc3)o2)CC1 ZINC000272379255 426510201 /nfs/dbraw/zinc/51/02/01/426510201.db2.gz GGRYZONLLAIHES-UHFFFAOYSA-N 2 0 316.401 2.618 20 0 DFADRP CC1(C)OCc2cc(C[NH2+]C[C@H]3CC[N@@H+](C4CC4)C3)ccc2O1 ZINC000186364422 426512542 /nfs/dbraw/zinc/51/25/42/426512542.db2.gz DIJRRAQWUDBALD-OAHLLOKOSA-N 2 0 316.445 2.906 20 0 DFADRP C[N@@H+]1CCC[C@@H]2CN(Cc3cccc(Br)n3)CC[C@@H]21 ZINC000272444611 426525268 /nfs/dbraw/zinc/52/52/68/426525268.db2.gz UOSSYBLVFJTFJW-OCCSQVGLSA-N 2 0 324.266 2.760 20 0 DFADRP C[C@@H]([NH2+]C[C@@H](C)C[C@H](C)O)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272548804 426554715 /nfs/dbraw/zinc/55/47/15/426554715.db2.gz DWFYUNMCQXFHIZ-BMFAXAFESA-N 2 0 304.478 2.894 20 0 DFADRP Cc1cnn(CC[NH2+][C@@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000272469882 426533225 /nfs/dbraw/zinc/53/32/25/426533225.db2.gz LEFKWKRFIOTKDN-PKOBYXMFSA-N 2 0 312.461 2.692 20 0 DFADRP CCCOc1ccc([C@H](C)[NH2+]CC2CC[NH+](CCO)CC2)cc1 ZINC000177880955 426535727 /nfs/dbraw/zinc/53/57/27/426535727.db2.gz AXTRLBZXFYKNAE-INIZCTEOSA-N 2 0 320.477 2.830 20 0 DFADRP C/C=C/C[C@@H](CO)[NH2+][C@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000186510231 426540731 /nfs/dbraw/zinc/54/07/31/426540731.db2.gz YKPORBWMBCVVTD-HEWCPETLSA-N 2 0 314.473 2.814 20 0 DFADRP C[C@@H]1C[C@H](NC2CC[NH+](CCc3ccccc3)CC2)CC[N@@H+]1C ZINC000177968724 426547670 /nfs/dbraw/zinc/54/76/70/426547670.db2.gz UUUNHBTVGJRMKJ-YLJYHZDGSA-N 2 0 315.505 2.766 20 0 DFADRP c1ccc(C[NH+]2C[C@H]3C[N@H+](CC[C@@H]4CCCO4)C[C@H]3C2)cc1 ZINC000280332753 426552011 /nfs/dbraw/zinc/55/20/11/426552011.db2.gz HIZITIPCWKAYOG-OTWHNJEPSA-N 2 0 300.446 2.619 20 0 DFADRP COc1ccc(C[C@@H](C)[NH2+]CC2(C)CC[NH+](C)CC2)cc1OC ZINC000272534587 426552274 /nfs/dbraw/zinc/55/22/74/426552274.db2.gz JRFROWMNIDDSDA-OAHLLOKOSA-N 2 0 320.477 2.956 20 0 DFADRP Cc1n[nH]cc1C[NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]12 ZINC000273120704 426597102 /nfs/dbraw/zinc/59/71/02/426597102.db2.gz ZHLOSVDMEGDLCU-BHIYHBOVSA-N 2 0 310.445 2.718 20 0 DFADRP COCCC[C@@H](C)[NH2+]Cc1ccccc1C[NH+]1CCC(O)CC1 ZINC000178307059 426602815 /nfs/dbraw/zinc/60/28/15/426602815.db2.gz KIFLJCICKXWPKN-MRXNPFEDSA-N 2 0 320.477 2.548 20 0 DFADRP COc1cc(C)c([C@@H](C)[NH2+]CCCN2CC[NH+](C)CC2)cc1C ZINC000273181520 426608380 /nfs/dbraw/zinc/60/83/80/426608380.db2.gz OFQSYGKSVWAHLH-QGZVFWFLSA-N 2 0 319.493 2.600 20 0 DFADRP C[C@H](C[NH2+][C@@H]1C[C@H](C)c2ccccc21)CN1CC[NH+](C)CC1 ZINC000289223024 426609463 /nfs/dbraw/zinc/60/94/63/426609463.db2.gz LKCRHXWLFZGXLT-JTDSTZFVSA-N 2 0 301.478 2.708 20 0 DFADRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+]C1CC(c2ccc(F)cc2)C1 ZINC000186588059 426556025 /nfs/dbraw/zinc/55/60/25/426556025.db2.gz ZDAQTPRAKPIBTR-LSJNQWAISA-N 2 0 319.468 2.687 20 0 DFADRP C[NH+](C)CCN1CCC([NH2+][C@H](c2cccnc2)C2CCC2)CC1 ZINC000280354003 426556510 /nfs/dbraw/zinc/55/65/10/426556510.db2.gz SQBDGUQKKNRNQL-IBGZPJMESA-N 2 0 316.493 2.538 20 0 DFADRP C[C@@H](CCN1CC[NH+](C)CC1)[NH2+][C@@H](C)[C@@H](C)c1ccccc1 ZINC000186586475 426557208 /nfs/dbraw/zinc/55/72/08/426557208.db2.gz YWZACBVRXQXRQV-KSZLIROESA-N 2 0 303.494 2.794 20 0 DFADRP C[C@H]([NH2+][C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21)c1cnn(C)c1 ZINC000272562496 426558808 /nfs/dbraw/zinc/55/88/08/426558808.db2.gz NXDIRDIXOXFNFD-LWCVALJOSA-N 2 0 324.472 2.981 20 0 DFADRP C[C@H](CC(=O)Nc1ccc(F)cc1)[NH2+]CC1(C)CC[NH+](C)CC1 ZINC000272566068 426560607 /nfs/dbraw/zinc/56/06/07/426560607.db2.gz OGCRDRUBYGHBBF-CQSZACIVSA-N 2 0 321.440 2.864 20 0 DFADRP C[C@@H](CCN1CC[NH+](C)CC1)[NH2+][C@@H]1CCc2cc(Cl)ccc21 ZINC000186605377 426563613 /nfs/dbraw/zinc/56/36/13/426563613.db2.gz XTBMZDSBQHKTQN-KBXCAEBGSA-N 2 0 321.896 2.943 20 0 DFADRP C[C@@H]1CCCC[N@@H+]1CCC1CC[NH+](Cc2cnn(C)c2)CC1 ZINC000178390736 426620523 /nfs/dbraw/zinc/62/05/23/426620523.db2.gz KFYYWHJYXNKGPQ-MRXNPFEDSA-N 2 0 304.482 2.897 20 0 DFADRP CC[NH+](CC)Cc1cccc(NC(=O)[C@@]23CCC[C@@H]2C[NH2+]C3)c1 ZINC000280699139 426636676 /nfs/dbraw/zinc/63/66/76/426636676.db2.gz CBMSSKNBALGKMP-VQIMIIECSA-N 2 0 315.461 2.857 20 0 DFADRP CCC(C)(C)[NH2+][C@H](C)C(=O)NC[C@@H](c1cccc(F)c1)[NH+](C)C ZINC000273314766 426640941 /nfs/dbraw/zinc/64/09/41/426640941.db2.gz XRQJLBHDCSNYPL-CJNGLKHVSA-N 2 0 323.456 2.711 20 0 DFADRP CCc1nc2c(s1)[C@H]([NH2+]CCCN1CCC(O)CC1)CCC2 ZINC000178521388 426644913 /nfs/dbraw/zinc/64/49/13/426644913.db2.gz SRPNBHLYJMOCKH-CQSZACIVSA-N 2 0 323.506 2.519 20 0 DFADRP CC[N@H+](Cc1cnc2cnccn12)Cc1ccc(C[NH+](C)C)cc1 ZINC000289404704 426650353 /nfs/dbraw/zinc/65/03/53/426650353.db2.gz GYKTWXWXEVYNII-UHFFFAOYSA-N 2 0 323.444 2.813 20 0 DFADRP C[C@@H](C[NH2+]C1CCN(c2cc[nH+]cc2)CC1)c1nccs1 ZINC000235118828 426658841 /nfs/dbraw/zinc/65/88/41/426658841.db2.gz CJLQCQGEIDUKFL-ZDUSSCGKSA-N 2 0 302.447 2.900 20 0 DFADRP C[C@]1(C[NH3+])CCN(Cc2ccc(F)c(Br)c2)C1 ZINC000235708371 426660953 /nfs/dbraw/zinc/66/09/53/426660953.db2.gz SMJQOFABUROFIY-CYBMUJFWSA-N 2 0 301.203 2.759 20 0 DFADRP CC[NH+](CC)[C@H](CNC(=O)CC1CC[NH2+]CC1)c1ccsc1 ZINC000236874751 426686942 /nfs/dbraw/zinc/68/69/42/426686942.db2.gz QPOJFEIHDAGCCA-MRXNPFEDSA-N 2 0 323.506 2.637 20 0 DFADRP C[C@H]1C[C@H]([NH2+]CC2CC[NH+](Cc3ccccc3)CC2)CC[N@@H+]1C ZINC000178634556 426667862 /nfs/dbraw/zinc/66/78/62/426667862.db2.gz PYJONMFCDLNGBD-FXAWDEMLSA-N 3 0 315.505 2.971 20 0 DFADRP CC[C@]1(C[NH2+][C@H]2CC[N@H+](C)[C@@H](C)C2)OCCc2ccccc21 ZINC000289614778 426671389 /nfs/dbraw/zinc/67/13/89/426671389.db2.gz DGUOEJCTIULMEA-VDZJLULYSA-N 2 0 302.462 2.937 20 0 DFADRP CC(C)[N@H+](C)Cc1ccccc1CNC(=O)[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000236655533 426671702 /nfs/dbraw/zinc/67/17/02/426671702.db2.gz SIUKAJNTMZHHMX-CRAIPNDOSA-N 2 0 317.477 2.661 20 0 DFADRP CC(C)C[C@H]([NH3+])C(=O)NC[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000236695461 426677664 /nfs/dbraw/zinc/67/76/64/426677664.db2.gz QGBYLHUSZCRYPE-DZKIICNBSA-N 2 0 323.506 2.621 20 0 DFADRP CC(C)C[C@H]([NH3+])C(=O)NCc1ccccc1C[N@H+](C)C(C)C ZINC000236703792 426678734 /nfs/dbraw/zinc/67/87/34/426678734.db2.gz XIHRXNXZYGUXNY-KRWDZBQOSA-N 2 0 305.466 2.516 20 0 DFADRP CCC[N@H+](C)C[C@@H]1CCN(C(=O)[C@@H](C)[C@@H]([NH3+])c2ccccc2)C1 ZINC000236763179 426685444 /nfs/dbraw/zinc/68/54/44/426685444.db2.gz RRDZCLMARPOORL-XYJFISCASA-N 2 0 317.477 2.513 20 0 DFADRP COc1cc(C)c([C@H](C)[NH2+][C@@H](C)CN2CC[NH+](C)CC2)cc1C ZINC000273242562 426624722 /nfs/dbraw/zinc/62/47/22/426624722.db2.gz YYFSYKWUEJDURP-IRXDYDNUSA-N 2 0 319.493 2.599 20 0 DFADRP Cc1ccccc1C[NH+]1CCN(CC[C@@H]2CCC[N@H+]2C)CC1 ZINC000178440212 426628157 /nfs/dbraw/zinc/62/81/57/426628157.db2.gz VMPXZEKAEDTRFI-IBGZPJMESA-N 2 0 301.478 2.597 20 0 DFADRP COCCC[NH+]1CCC([NH2+]Cc2cc(C)c(O)c(C)c2)CC1 ZINC000289325778 426628961 /nfs/dbraw/zinc/62/89/61/426628961.db2.gz UGDMGLPMCHQDHM-UHFFFAOYSA-N 2 0 306.450 2.600 20 0 DFADRP COC[C@H]([NH2+]CCCC[N@@H+]1CCC[C@@H](C)C1)C1CCOCC1 ZINC000187778008 426692764 /nfs/dbraw/zinc/69/27/64/426692764.db2.gz NSKWVSUFFFWJOJ-AEFFLSMTSA-N 2 0 312.498 2.530 20 0 DFADRP C[C@@H](C[NH2+][C@@H]1CCCc2c(Cl)cccc21)N1CC[NH+](C)CC1 ZINC000273620610 426698795 /nfs/dbraw/zinc/69/87/95/426698795.db2.gz YWJBRAQMHNMPPH-KBXCAEBGSA-N 2 0 321.896 2.943 20 0 DFADRP C[C@H]([NH2+]CCCC[N@@H+]1CCC[C@H]1CO)c1ccc(F)c(F)c1 ZINC000266743435 426771325 /nfs/dbraw/zinc/77/13/25/426771325.db2.gz ABHSSVKRULZEMU-ZFWWWQNUSA-N 2 0 312.404 2.852 20 0 DFADRP Cc1nccn1CCCC[N@@H+](C)C[C@H]1COc2ccccc2O1 ZINC000179264371 426772353 /nfs/dbraw/zinc/77/23/53/426772353.db2.gz SBNSTYMOYDUXSN-INIZCTEOSA-N 2 0 315.417 2.744 20 0 DFADRP COC(=O)C1(C[NH2+]C2CC[NH+]([C@@H]3CCC[C@H](C)C3)CC2)CC1 ZINC000188676349 426776589 /nfs/dbraw/zinc/77/65/89/426776589.db2.gz GYKBEFPXLZPAKZ-GOEBONIOSA-N 2 0 308.466 2.572 20 0 DFADRP COC(=O)C1(C[NH2+]CC(C)(C)C[N@H+](C)Cc2ccccc2)CC1 ZINC000188691926 426779673 /nfs/dbraw/zinc/77/96/73/426779673.db2.gz XYRJENPEERQLGC-UHFFFAOYSA-N 2 0 318.461 2.687 20 0 DFADRP Cc1nnc(CN2CCC[C@@H](c3ncc4n3CCCC4)C2)s1 ZINC000281892146 426786504 /nfs/dbraw/zinc/78/65/04/426786504.db2.gz BAJXUOCFXYSLPM-CYBMUJFWSA-N 2 0 317.462 2.759 20 0 DFADRP CC[C@H](C[NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]12)OC ZINC000290245498 426724376 /nfs/dbraw/zinc/72/43/76/426724376.db2.gz SWSUYVCDZLMQCQ-NCXUSEDFSA-N 2 0 302.462 2.912 20 0 DFADRP c1cc2c(cc1[C@@H]1CCC[N@H+]1CC1CC[NH2+]CC1)OCCO2 ZINC000178955813 426724988 /nfs/dbraw/zinc/72/49/88/426724988.db2.gz RJIRJIIVMCHQAZ-INIZCTEOSA-N 2 0 302.418 2.594 20 0 DFADRP COc1ccc([C@@H]2CCC[N@@H+]2CC2CC[NH2+]CC2)cc1OC ZINC000178956810 426726177 /nfs/dbraw/zinc/72/61/77/426726177.db2.gz VIRINCCEEQWSIT-INIZCTEOSA-N 2 0 304.434 2.840 20 0 DFADRP COc1cc2c(NCC[N@@H+]3CCCOCC3)cc[nH+]c2cc1F ZINC000281603524 426727088 /nfs/dbraw/zinc/72/70/88/426727088.db2.gz YJHIQOLOTKJQKF-UHFFFAOYSA-N 2 0 319.380 2.517 20 0 DFADRP COc1c(O)cccc1C[N@@H+]1CC[C@@H](C2CC[NH+](C)CC2)C1 ZINC000290297708 426733606 /nfs/dbraw/zinc/73/36/06/426733606.db2.gz AXXDVNWLTJBGFK-OAHLLOKOSA-N 2 0 304.434 2.565 20 0 DFADRP C[N@@H+]1CC[C@@H]2[C@H](CCCN2Cc2cnn(Cc3ccccc3)c2)C1 ZINC000290343646 426745539 /nfs/dbraw/zinc/74/55/39/426745539.db2.gz FPIMDPQJBBLTEF-WOJBJXKFSA-N 2 0 324.472 2.848 20 0 DFADRP CN(CC[C@H]1CCCC[N@@H+]1C)C[C@@H](O)c1c(F)cccc1F ZINC000266602305 426747441 /nfs/dbraw/zinc/74/74/41/426747441.db2.gz RHPSTAXUYRIILT-CZUORRHYSA-N 2 0 312.404 2.804 20 0 DFADRP CC(C)[C@H](C[NH2+][C@H](C)c1ccc(Cl)nc1)N1CC[NH+](C)CC1 ZINC000179102369 426751687 /nfs/dbraw/zinc/75/16/87/426751687.db2.gz PIEZMMAKSZQOQO-ZBFHGGJFSA-N 2 0 324.900 2.658 20 0 DFADRP CC(=O)Nc1ccccc1C[N@H+](C)CCCn1ccnc1C ZINC000290417785 426760309 /nfs/dbraw/zinc/76/03/09/426760309.db2.gz KMVJOLKKUVFRCW-UHFFFAOYSA-N 2 0 300.406 2.672 20 0 DFADRP C[N@@H+]1CC[C@H]2[C@H](CCCN2Cc2cncc(Br)c2)C1 ZINC000290427376 426762881 /nfs/dbraw/zinc/76/28/81/426762881.db2.gz LDOSPCYMSUJMTP-HIFRSBDPSA-N 2 0 324.266 2.760 20 0 DFADRP COc1cccc(CN2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)n1 ZINC000179176190 426765026 /nfs/dbraw/zinc/76/50/26/426765026.db2.gz NHECKXROPHMXKJ-RHSMWYFYSA-N 2 0 301.434 2.539 20 0 DFADRP CC[C@H](CCO)[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000245708968 426765848 /nfs/dbraw/zinc/76/58/48/426765848.db2.gz MZDPGYLUUBRRIW-AKHDSKFASA-N 2 0 302.462 2.933 20 0 DFADRP Cn1cc(CC[NH2+]CC(C)(C)C[N@H+](C)Cc2ccccc2)cn1 ZINC000266990868 426808993 /nfs/dbraw/zinc/80/89/93/426808993.db2.gz XTUSVDCUTUQTSD-UHFFFAOYSA-N 2 0 314.477 2.710 20 0 DFADRP CC1CCC(O)(C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)CC1 ZINC000246279260 426817430 /nfs/dbraw/zinc/81/74/30/426817430.db2.gz AUZXHZISHRXRIC-TXLGJMDYSA-N 2 0 306.494 2.876 20 0 DFADRP CC[NH+]1CCN([C@@H](C)C[NH2+]Cc2ccc(Cl)cc2F)CC1 ZINC000189253016 426832268 /nfs/dbraw/zinc/83/22/68/426832268.db2.gz NHFNLTYRWRNGQG-ZDUSSCGKSA-N 2 0 313.848 2.595 20 0 DFADRP CCCc1cccc(C[NH2+]CC2(O)CC[NH+](C(C)C)CC2)c1 ZINC000274849218 426850757 /nfs/dbraw/zinc/85/07/57/426850757.db2.gz XUFZVDIKIVZBIZ-UHFFFAOYSA-N 2 0 304.478 2.964 20 0 DFADRP CSc1ccc(C[NH2+]CCN2CC[N@H+](C)C(C)(C)C2)cc1 ZINC000282207079 426853071 /nfs/dbraw/zinc/85/30/71/426853071.db2.gz DCUJUXCAANVCMJ-UHFFFAOYSA-N 2 0 307.507 2.524 20 0 DFADRP COc1ccc([C@@H](C)[NH2+][C@H](C)CCN2CC[NH+](C)CC2)cc1C ZINC000274579940 426796019 /nfs/dbraw/zinc/79/60/19/426796019.db2.gz CJJFDFQPLVTMNH-IAGOWNOFSA-N 2 0 319.493 2.680 20 0 DFADRP CCc1cccc(C[NH+]2CCC(N3CCO[C@H](C)C3)CC2)c1 ZINC000188864050 426796076 /nfs/dbraw/zinc/79/60/76/426796076.db2.gz HGOSNAUDHYNTCG-MRXNPFEDSA-N 2 0 302.462 2.934 20 0 DFADRP CC[C@](C)(O)C[N@@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000310024967 426918212 /nfs/dbraw/zinc/91/82/12/426918212.db2.gz UFRHMTBWXGVTOG-OTWHNJEPSA-N 2 0 302.462 2.601 20 0 DFADRP CCN(CC)C(=O)C[C@H](C)[NH2+]CCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000247237261 426918687 /nfs/dbraw/zinc/91/86/87/426918687.db2.gz YTJKOPXHIRFGGH-ZACQAIPSSA-N 2 0 311.514 2.591 20 0 DFADRP Oc1ccc(F)c(CN2CC[C@@H](CNc3ccccn3)C2)c1F ZINC000295343331 426919062 /nfs/dbraw/zinc/91/90/62/426919062.db2.gz MTOWEFZQOZBMGP-LBPRGKRZSA-N 2 0 319.355 2.999 20 0 DFADRP CC[N@@H+]1CC[C@H]([NH+](C)CCOc2cccc(OC)c2)[C@@H](C)C1 ZINC000246734073 426860752 /nfs/dbraw/zinc/86/07/52/426860752.db2.gz OXVBAWACOXRAQW-YJBOKZPZSA-N 2 0 306.450 2.736 20 0 DFADRP CC[N@@H+]1CC[C@H](C[NH2+]Cc2ccc(-c3cnn(C)c3)s2)C1 ZINC000282276548 426869682 /nfs/dbraw/zinc/86/96/82/426869682.db2.gz PCZGNRHNXLQAOX-CYBMUJFWSA-N 2 0 304.463 2.580 20 0 DFADRP CN1CCC([N@H+](CCO)[C@H]2CC[C@](C)(c3ccccc3)C2)CC1 ZINC000189502470 426870200 /nfs/dbraw/zinc/87/02/00/426870200.db2.gz HHAJNPGACOIQND-PMACEKPBSA-N 2 0 316.489 2.885 20 0 DFADRP CN1CCC([N@H+](CCO)[C@H]2CC[C@@](C)(c3ccccc3)C2)CC1 ZINC000189502492 426870540 /nfs/dbraw/zinc/87/05/40/426870540.db2.gz HHAJNPGACOIQND-VQTJNVASSA-N 2 0 316.489 2.885 20 0 DFADRP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(OCCC[NH+](C)C)cc2)[C@@H](C)O1 ZINC000295243584 426875181 /nfs/dbraw/zinc/87/51/81/426875181.db2.gz SXNOBZJZDISRQT-IIDMSEBBSA-N 2 0 306.450 2.673 20 0 DFADRP C[C@H]1CN(CC[N@H+](C)Cc2ccccc2)CC[NH+](C2CCC2)C1 ZINC000295259782 426879800 /nfs/dbraw/zinc/87/98/00/426879800.db2.gz XXRIULPZPLSGEU-SFHVURJKSA-N 2 0 315.505 2.925 20 0 DFADRP C[NH+](C)CCCC[NH2+]Cc1cnn(Cc2ccc(F)cc2)c1 ZINC000275615249 426880602 /nfs/dbraw/zinc/88/06/02/426880602.db2.gz RMULXUHSJDKDII-UHFFFAOYSA-N 2 0 304.413 2.502 20 0 DFADRP Cc1cc(N2C[C@@H](C)[C@H]([NH+]3CCOCC3)C2)c2ccccc2[nH+]1 ZINC000267569535 426882952 /nfs/dbraw/zinc/88/29/52/426882952.db2.gz WRYSPMDRSZPTQL-AUUYWEPGSA-N 2 0 311.429 2.700 20 0 DFADRP CC[N@@H+]1CC[C@@H]([NH2+]CCCOCc2ccc(OC)cc2)[C@@H](C)C1 ZINC000246956302 426884195 /nfs/dbraw/zinc/88/41/95/426884195.db2.gz IOQJAYNNKZPYBS-QFBILLFUSA-N 2 0 320.477 2.922 20 0 DFADRP C[C@H]([NH2+]C[C@H]1CCC[C@@H](O)C1)c1cccc(OCC[NH+](C)C)c1 ZINC000305157197 426890084 /nfs/dbraw/zinc/89/00/84/426890084.db2.gz QKEIUKJOZGWAOS-XYJFISCASA-N 2 0 320.477 2.829 20 0 DFADRP C[C@@H](O)[C@@H]1CC[N@H+](CC(C)(C)C[NH+](C)Cc2ccccc2)C1 ZINC000180860542 426893000 /nfs/dbraw/zinc/89/30/00/426893000.db2.gz SNDOTZHFKIXGND-SJLPKXTDSA-N 2 0 304.478 2.847 20 0 DFADRP C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)c1sccc1CN(C)C ZINC000268042583 426898401 /nfs/dbraw/zinc/89/84/01/426898401.db2.gz QMRVSRXRKDCGEF-KBPBESRZSA-N 2 0 323.506 2.660 20 0 DFADRP C[C@@H]1Cc2ccccc2N1CC[NH2+][C@H]1C[C@@H](C)[N@H+](C)C[C@H]1C ZINC000247112553 426903471 /nfs/dbraw/zinc/90/34/71/426903471.db2.gz TYOPSGNJAWNZRL-KONPQCLYSA-N 2 0 301.478 2.756 20 0 DFADRP CC[NH+]1CCN([C@H]2CC[N@H+](C[C@@H](C)c3ccc(F)cc3)C2)CC1 ZINC000275710854 426903610 /nfs/dbraw/zinc/90/36/10/426903610.db2.gz MCJIDUCRCRHLJV-APWZRJJASA-N 2 0 319.468 2.641 20 0 DFADRP Cc1cnc(C[NH2+]CC2CCN(c3cc[nH+]cc3)CC2)s1 ZINC000295419022 426951404 /nfs/dbraw/zinc/95/14/04/426951404.db2.gz NSUIJROKQNETEO-UHFFFAOYSA-N 2 0 302.447 2.853 20 0 DFADRP CCC[C@H](O)C[N@@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000295418326 426951592 /nfs/dbraw/zinc/95/15/92/426951592.db2.gz XXZKJIUYAPFNAY-RBUKOAKNSA-N 2 0 302.462 2.745 20 0 DFADRP CCC[C@H](O)C[N@@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000295418322 426952103 /nfs/dbraw/zinc/95/21/03/426952103.db2.gz XXZKJIUYAPFNAY-OALUTQOASA-N 2 0 302.462 2.745 20 0 DFADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@@H](c2cccc(F)c2)N(C)C)[C@@H](C)C1 ZINC000247967185 426971453 /nfs/dbraw/zinc/97/14/53/426971453.db2.gz IGRSHESXTVRDGE-WBAXXEDZSA-N 2 0 307.457 2.748 20 0 DFADRP O=C(CC[C@H]1CCC[NH2+]1)NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000292011133 427056487 /nfs/dbraw/zinc/05/64/87/427056487.db2.gz DFYUVHARDQKVNP-HUUCEWRRSA-N 2 0 321.490 2.533 20 0 DFADRP C[C@H]1CCCC[N@@H+]1CCC(=O)N1CCCC[C@@H]1c1ncc[nH]1 ZINC000328792009 426997870 /nfs/dbraw/zinc/99/78/70/426997870.db2.gz RFDTXIIOURXVFN-LSDHHAIUSA-N 2 0 304.438 2.728 20 0 DFADRP C[C@H]1C[C@@H]1C[NH2+]Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000268372475 426997984 /nfs/dbraw/zinc/99/79/84/426997984.db2.gz SAHFYHMHOGTGRZ-DOTOQJQBSA-N 2 0 301.478 2.963 20 0 DFADRP CC(C)[NH+]1CCC(O)(C[NH2+]Cc2cccc3cccnc32)CC1 ZINC000268404936 427007146 /nfs/dbraw/zinc/00/71/46/427007146.db2.gz FDCSMCSGSZZCPR-UHFFFAOYSA-N 2 0 313.445 2.560 20 0 DFADRP C[C@H]([NH2+][C@@H]1Cc2ccccc2[C@H]1O)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000248553647 427013373 /nfs/dbraw/zinc/01/33/73/427013373.db2.gz HMFHDOJPXZBETO-QTLCSOKXSA-N 2 0 314.473 2.887 20 0 DFADRP C[C@@H]1C[C@@H](NCc2cccc(OCC[NH+](C)C)c2)c2nccn21 ZINC000296054582 427061763 /nfs/dbraw/zinc/06/17/63/427061763.db2.gz RIVDXLIWPCKCHS-RHSMWYFYSA-N 2 0 314.433 2.619 20 0 DFADRP C[N@H+](CC[C@@H]1CCCC[NH+]1C)C[C@@H](O)CCc1ccccc1 ZINC000248574106 427015785 /nfs/dbraw/zinc/01/57/85/427015785.db2.gz MXAVQSKWJKYEJR-OALUTQOASA-N 2 0 304.478 2.786 20 0 DFADRP Cc1cc(N2CC[N@@H+](C[C@H](C)O)C[C@H]2C)c2cc(F)ccc2[nH+]1 ZINC000248661479 427029312 /nfs/dbraw/zinc/02/93/12/427029312.db2.gz FOCMSYFSWDEGML-KGLIPLIRSA-N 2 0 317.408 2.574 20 0 DFADRP CCC[C@@H](C(=O)NCC(C)(C)[N@@H+]1CCC[C@H](CC)C1)[NH+](C)C ZINC000337903487 427029471 /nfs/dbraw/zinc/02/94/71/427029471.db2.gz LAVNVRMKBZHLEY-HOTGVXAUSA-N 2 0 311.514 2.734 20 0 DFADRP C[C@H](NCc1ccccc1C[N@@H+]1CC[C@H](O)C1)c1nccs1 ZINC000182260147 427041112 /nfs/dbraw/zinc/04/11/12/427041112.db2.gz MITNZNRXARGAIL-BBRMVZONSA-N 2 0 317.458 2.561 20 0 DFADRP COc1ccc([C@@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc1OC ZINC000296074753 427066696 /nfs/dbraw/zinc/06/66/96/427066696.db2.gz WWPHYSCSCLFWQY-OHRKKDJYSA-N 2 0 304.434 2.980 20 0 DFADRP CN(C)CC[NH2+]C1CCN(Cc2c(F)cccc2Cl)CC1 ZINC000276461787 427073439 /nfs/dbraw/zinc/07/34/39/427073439.db2.gz LLPZEWORNNKLCM-UHFFFAOYSA-N 2 0 313.848 2.595 20 0 DFADRP CC(C)CC[N@@H+]1Cc2cccc(NC(=O)[C@@H](C)[C@H](C)[NH3+])c2C1 ZINC000249034106 427076788 /nfs/dbraw/zinc/07/67/88/427076788.db2.gz MJODTFRUUVSERK-KBPBESRZSA-N 2 0 303.450 2.970 20 0 DFADRP C[N@@H+]1CC[C@]2(CC[NH+](CCC(=O)Nc3cccc(Cl)c3)C2)C1 ZINC000292108583 427091772 /nfs/dbraw/zinc/09/17/72/427091772.db2.gz IUBSUJLEQQANKN-KRWDZBQOSA-N 2 0 321.852 2.696 20 0 DFADRP C[C@@H](C(=O)NCc1ccccc1C[N@@H+]1CCC[C@@H](C)C1)[C@H](C)[NH3+] ZINC000249137514 427092645 /nfs/dbraw/zinc/09/26/45/427092645.db2.gz YYEWCFHKQHCRAP-OAGGEKHMSA-N 2 0 317.477 2.518 20 0 DFADRP COc1ccnc(CN2CCC[C@@H]2C[NH+]2CCCCC2)c1OC ZINC000190509183 427129213 /nfs/dbraw/zinc/12/92/13/427129213.db2.gz UPNXMPSGUCBYDT-OAHLLOKOSA-N 2 0 319.449 2.549 20 0 DFADRP CC[N@@H+]1CC[C@H]([NH2+]CC2CCN(CC(F)(F)F)CC2)[C@@H](C)C1 ZINC000249204571 427097469 /nfs/dbraw/zinc/09/74/69/427097469.db2.gz VICXKZDIFXXNMO-ZFWWWQNUSA-N 2 0 321.431 2.581 20 0 DFADRP C[C@H]([NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccc2c(c1)CCC(=O)N2 ZINC000268765805 427109616 /nfs/dbraw/zinc/10/96/16/427109616.db2.gz JCQFWHBJUZPDNR-JQFCIGGWSA-N 2 0 313.445 2.849 20 0 DFADRP C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)[C@H](C)[NH+]1[C@H](C)CC[C@H]1C ZINC000338046836 427110689 /nfs/dbraw/zinc/11/06/89/427110689.db2.gz LNRWEJUEUQZZMR-ZKZVPCBQSA-N 2 0 323.525 2.730 20 0 DFADRP C[C@H]1CSCC[NH+](CCC[N@H+]2CCSC[C@H](C)C2)C1 ZINC000190454094 427112864 /nfs/dbraw/zinc/11/28/64/427112864.db2.gz SMEHGVYHOVCUQH-HUUCEWRRSA-N 2 0 302.553 2.746 20 0 DFADRP CC[NH+](CC)CCN(CC(C)C)C(=O)c1ccc2c[nH+]cn2c1 ZINC000284020372 427117158 /nfs/dbraw/zinc/11/71/58/427117158.db2.gz NSORBQCEGKXRHR-UHFFFAOYSA-N 2 0 316.449 2.774 20 0 DFADRP CC[N@H+](C)Cc1cccc(CNC(=O)c2ccc3c[nH+]cn3c2)c1 ZINC000284057555 427124902 /nfs/dbraw/zinc/12/49/02/427124902.db2.gz UUSJKFLJIJVZIM-UHFFFAOYSA-N 2 0 322.412 2.716 20 0 DFADRP C[C@H]([NH2+]C[C@H]1CCCCO1)c1ccc(OCC[NH+](C)C)cc1 ZINC000268809361 427126024 /nfs/dbraw/zinc/12/60/24/427126024.db2.gz NLOIJTUXTCILTE-MAUKXSAKSA-N 2 0 306.450 2.847 20 0 DFADRP CO[C@@H](C)[C@H](C)[NH2+]CCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000268830260 427131311 /nfs/dbraw/zinc/13/13/11/427131311.db2.gz WCWYWGDNICSJBD-ROUUACIJSA-N 2 0 319.493 2.602 20 0 DFADRP CC[NH+](CC)CCOc1ccc(C[NH2+][C@H](C)c2cn[nH]c2)cc1 ZINC000284103127 427134298 /nfs/dbraw/zinc/13/42/98/427134298.db2.gz MXFDJNFHKRIJFV-OAHLLOKOSA-N 2 0 316.449 2.981 20 0 DFADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1N[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000268876762 427137659 /nfs/dbraw/zinc/13/76/59/427137659.db2.gz IYVWDGMMYJXDNR-LFGUQSLTSA-N 2 0 315.505 2.969 20 0 DFADRP C[C@H](C(=O)NC[C@H](c1cccs1)[NH+](C)C)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000249737855 427142441 /nfs/dbraw/zinc/14/24/41/427142441.db2.gz HASIXLBVKBBKJG-LXTVHRRPSA-N 2 0 323.506 2.728 20 0 DFADRP CC[C@H]([NH3+])C(=O)NCC(CC)(CC)[NH2+][C@@H](C)c1ccccc1 ZINC000269268208 427154851 /nfs/dbraw/zinc/15/48/51/427154851.db2.gz QLUHTUXOQHUNTH-HOCLYGCPSA-N 2 0 305.466 2.750 20 0 DFADRP CCC[NH2+][C@H](C)C(=O)NCc1ccccc1C[N@H+](C)C(C)C ZINC000296355199 427156310 /nfs/dbraw/zinc/15/63/10/427156310.db2.gz JDHAURWLLHYENH-OAHLLOKOSA-N 2 0 305.466 2.531 20 0 DFADRP C[C@@H]([NH2+]CCC[NH+]1CCCCC1)c1ccc(-n2ccnn2)cc1 ZINC000162442012 271085022 /nfs/dbraw/zinc/08/50/22/271085022.db2.gz MLOCBLPEUJMDCD-MRXNPFEDSA-N 2 0 313.449 2.794 20 0 DFADRP C[C@H]([NH2+]CCC[NH+]1CCCCC1)c1ccc(-n2ccnn2)cc1 ZINC000162441880 271085061 /nfs/dbraw/zinc/08/50/61/271085061.db2.gz MLOCBLPEUJMDCD-INIZCTEOSA-N 2 0 313.449 2.794 20 0 DFADRP C[C@H]([NH2+]CCCN1CC[NH+](C)CC1)c1cc2c(s1)CCCC2 ZINC000162517376 271085374 /nfs/dbraw/zinc/08/53/74/271085374.db2.gz HEVYNWCJMAAXQJ-HNNXBMFYSA-N 2 0 321.534 2.915 20 0 DFADRP CC1CC[NH+](CCCNC(=O)[C@H]2CCCCCC[C@H]2[NH3+])CC1 ZINC000163844917 271091481 /nfs/dbraw/zinc/09/14/81/271091481.db2.gz WRMCGAKXTZBRGA-DLBZAZTESA-N 2 0 309.498 2.522 20 0 DFADRP CC(C)[C@@H]([NH3+])C(=O)NCc1cccc(C[NH+]2CCCCCC2)c1 ZINC000166413599 271096376 /nfs/dbraw/zinc/09/63/76/271096376.db2.gz DFNIGLRKBYKJMV-GOSISDBHSA-N 2 0 317.477 2.662 20 0 DFADRP CC[NH+](CC)Cc1ccc(C(=O)N(C)CC[NH+]2CCCC2)cc1 ZINC000338169893 427168992 /nfs/dbraw/zinc/16/89/92/427168992.db2.gz FGFHZCNAOKZQFT-UHFFFAOYSA-N 2 0 317.477 2.696 20 0 DFADRP C[C@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)C(C)(C)C[NH3+])cc1 ZINC000237518458 271249568 /nfs/dbraw/zinc/24/95/68/271249568.db2.gz DSVUUIFSSGWBLM-HNNXBMFYSA-N 2 0 317.477 2.662 20 0 DFADRP CCO[C@@H](CC[NH+](C)C)C[NH2+][C@H]1CCc2c1c(F)ccc2F ZINC000269883833 271288030 /nfs/dbraw/zinc/28/80/30/271288030.db2.gz BEKZNYRYECDVOC-LRDDRELGSA-N 2 0 312.404 2.899 20 0 DFADRP CCCc1cc(N2CC[N@H+](CCO)[C@@H](C)C2)c2ccccc2[nH+]1 ZINC000302409800 271362694 /nfs/dbraw/zinc/36/26/94/271362694.db2.gz LIKGNRPBHDSKTO-HNNXBMFYSA-N 2 0 313.445 2.690 20 0 DFADRP C[NH+](C)C1CCC([NH2+][C@@H](c2nnc[nH]2)C2CCCCC2)CC1 ZINC000333783263 271390444 /nfs/dbraw/zinc/39/04/44/271390444.db2.gz UWMWHTWDQWACRX-UYSNPLJNSA-N 2 0 305.470 2.889 20 0 DFADRP C[NH+](C)[C@@H](CNC(=O)C[C@@H]([NH3+])c1ccccc1)c1ccsc1 ZINC000269528191 427218621 /nfs/dbraw/zinc/21/86/21/427218621.db2.gz VLSUFPLFAQNOEQ-CVEARBPZSA-N 2 0 317.458 2.557 20 0 DFADRP C[C@@H]1C[C@@H](C)C[NH+](CCCC[NH2+]Cc2cn(C(C)(C)C)nn2)C1 ZINC000190773593 427178177 /nfs/dbraw/zinc/17/81/77/427178177.db2.gz JTLPNPFUQFCULU-HZPDHXFCSA-N 2 0 321.513 2.881 20 0 DFADRP CC[NH+](CC)CCCN1CC[NH+](CCc2cccs2)CC1 ZINC000338233983 427205346 /nfs/dbraw/zinc/20/53/46/427205346.db2.gz JSDFLAMROIRZSN-UHFFFAOYSA-N 2 0 309.523 2.640 20 0 DFADRP CC[NH+](CC)CC1CC[NH+](CCCO[C@@H]2CCCCO2)CC1 ZINC000338261034 427221717 /nfs/dbraw/zinc/22/17/17/427221717.db2.gz HRDFEJAMPSDOFN-GOSISDBHSA-N 2 0 312.498 2.974 20 0 DFADRP C[N@H+](CCC(=O)Nc1ccccc1F)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000285473898 427243448 /nfs/dbraw/zinc/24/34/48/427243448.db2.gz KTNQHGSTMXRQOU-YIONKMFJSA-N 2 0 319.424 2.711 20 0 DFADRP c1cc(C[NH2+]CCCCC[NH+]2CCCC2)c2c(c1)OCCO2 ZINC000293196571 427243875 /nfs/dbraw/zinc/24/38/75/427243875.db2.gz XLAOYFMGPNEHLP-UHFFFAOYSA-N 2 0 304.434 2.814 20 0 DFADRP FC(F)COCCN1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000285478105 427243865 /nfs/dbraw/zinc/24/38/65/427243865.db2.gz HXMZTIVMVGSJLM-GOSISDBHSA-N 2 0 324.415 2.866 20 0 DFADRP Cc1ccc2c(c1)C[N@H+](CCCN1CC[NH+](C(C)C)CC1)C2 ZINC000337354000 271502936 /nfs/dbraw/zinc/50/29/36/271502936.db2.gz ARTQWLZRBJIYHP-UHFFFAOYSA-N 2 0 301.478 2.727 20 0 DFADRP C[N@H+](CC1CC1)C[C@@H]1CC[NH+](CCCO[C@H]2CCCCO2)C1 ZINC000338318748 427256136 /nfs/dbraw/zinc/25/61/36/427256136.db2.gz RIDGJHWSNVNZTE-ROUUACIJSA-N 2 0 310.482 2.583 20 0 DFADRP CCCc1cc(NC[C@@H]2C[N@H+](C)CCN2C)c2ccccc2[nH+]1 ZINC000269719491 427260962 /nfs/dbraw/zinc/26/09/62/427260962.db2.gz BKYPSCIIYVYDRV-MRXNPFEDSA-N 2 0 312.461 2.845 20 0 DFADRP c1ccc(C[N@@H+]2CC[C@H](Nc3cc(N4CCCC4)ncn3)C2)cc1 ZINC000277616543 427261958 /nfs/dbraw/zinc/26/19/58/427261958.db2.gz BJWSLLYQAPQVRF-KRWDZBQOSA-N 2 0 323.444 2.763 20 0 DFADRP C[C@H]([NH2+]CCCN1CC[NH+](C)CC1)c1csc(Cl)c1 ZINC000191132414 427265071 /nfs/dbraw/zinc/26/50/71/427265071.db2.gz JSGHFHYSLVASED-LBPRGKRZSA-N 2 0 301.887 2.690 20 0 DFADRP C[C@H]1C[N@H+](CCC[NH2+]Cc2cccc3cc[nH]c32)CCCO1 ZINC000277646326 427271487 /nfs/dbraw/zinc/27/14/87/427271487.db2.gz DGSJYUWZZQHFRH-HNNXBMFYSA-N 2 0 301.434 2.758 20 0 DFADRP Cc1c([C@H](C)[NH2+]CCCC[N@@H+]2CCC[C@@H]2CO)cnn1C(C)C ZINC000191278129 427305722 /nfs/dbraw/zinc/30/57/22/427305722.db2.gz ROIPKKOGENQMRK-DOTOQJQBSA-N 2 0 322.497 2.660 20 0 DFADRP C[C@@H]1CCC[N@H+](CCCCNC(=O)[C@@H]2C[C@H]3CCCC[C@H]3[NH2+]2)C1 ZINC000262146008 427352879 /nfs/dbraw/zinc/35/28/79/427352879.db2.gz MWCRDRKSUBWGPR-TVFCKZIOSA-N 2 0 321.509 2.535 20 0 DFADRP C[C@H]1CCC[C@@](CNC(=O)c2ccc3c(c2)C[NH2+]C3)([NH+](C)C)C1 ZINC000261854634 427342811 /nfs/dbraw/zinc/34/28/11/427342811.db2.gz JVMJPUKWOHRHRV-IFXJQAMLSA-N 2 0 315.461 2.530 20 0 DFADRP [NH3+][C@H]1C[C@@H]([NH2+]CCc2ccc3c(c2)OCCO3)c2ccccc21 ZINC000261943348 427346005 /nfs/dbraw/zinc/34/60/05/427346005.db2.gz VAENXLXRXLUVFG-DLBZAZTESA-N 2 0 310.397 2.735 20 0 DFADRP Fc1ccc(C[N@H+](C[C@@H]2CCC[NH2+]C2)C2CCOCC2)cc1 ZINC000262018851 427346358 /nfs/dbraw/zinc/34/63/58/427346358.db2.gz VXBZSXHXFYUIEU-MRXNPFEDSA-N 2 0 306.425 2.806 20 0 DFADRP CN1CCC[C@@H]1C(=O)Nc1cccc2c1CN(c1ccccn1)C2 ZINC000270417758 427351224 /nfs/dbraw/zinc/35/12/24/427351224.db2.gz FQRHHCFWGJHOSZ-QGZVFWFLSA-N 2 0 322.412 2.635 20 0 DFADRP Cc1cnn(C)c1CNCC(C)(C)[NH2+][C@@H](C)c1ccccc1 ZINC000285634735 427296947 /nfs/dbraw/zinc/29/69/47/427296947.db2.gz AKQMZHKMSBCWCZ-HNNXBMFYSA-N 2 0 300.450 2.948 20 0 DFADRP C[N@H+](CCCN1CC[NH+](C)CC1)Cc1ccc(C(F)F)cc1 ZINC000183983765 427371484 /nfs/dbraw/zinc/37/14/84/427371484.db2.gz OFNGCQPXPKINRV-UHFFFAOYSA-N 2 0 311.420 2.694 20 0 DFADRP CC[C@H](C(=O)NC1CC[NH+]([C@H](C)c2ccccc2)CC1)[NH+](C)C ZINC000338966052 271628232 /nfs/dbraw/zinc/62/82/32/271628232.db2.gz KXNNSFYPALSPFW-CRAIPNDOSA-N 2 0 317.477 2.668 20 0 DFADRP C[C@H](NCc1cn(C(C)(C)C)nn1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000191580139 427380816 /nfs/dbraw/zinc/38/08/16/427380816.db2.gz YBPXBIDFMASCBY-LSDHHAIUSA-N 2 0 319.497 2.776 20 0 DFADRP CC(C)[NH+]1CCN(CCC[N@H+](C)[C@H](C)c2cccc(O)c2)CC1 ZINC000191572715 427382756 /nfs/dbraw/zinc/38/27/56/427382756.db2.gz JURZQALAFLBCJE-QGZVFWFLSA-N 2 0 319.493 2.801 20 0 DFADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1[NH2+]CCc1cc(C(F)(F)F)ccn1 ZINC000293626492 427384165 /nfs/dbraw/zinc/38/41/65/427384165.db2.gz GEKVDGLHCHSTAK-XUJVJEKNSA-N 2 0 315.383 2.961 20 0 DFADRP CC1(C)C[C@@H]([NH2+][C@H]2CCCN(CCCO)C2)c2ccccc21 ZINC000297292813 427387767 /nfs/dbraw/zinc/38/77/67/427387767.db2.gz LXBFGKRLQOUBCY-MAUKXSAKSA-N 2 0 302.462 2.845 20 0 DFADRP CC(C)CC[C@H]([NH2+]CCCN1CCC[C@H]1C(N)=O)c1ccoc1 ZINC000285984967 427393294 /nfs/dbraw/zinc/39/32/94/427393294.db2.gz HWTBLPWMYCAGDZ-IRXDYDNUSA-N 2 0 321.465 2.686 20 0 DFADRP Cn1cncc1CC[N@@H+]1CCCN(c2ccccc2Cl)CC1 ZINC000297611716 427414743 /nfs/dbraw/zinc/41/47/43/427414743.db2.gz KSHGKYIWJZHOEY-UHFFFAOYSA-N 2 0 318.852 2.828 20 0 DFADRP C[C@@H]1C[N@H+](CC(C)(C)C[NH+](C)Cc2ccccc2)C[C@H]1CO ZINC000191731375 427416168 /nfs/dbraw/zinc/41/61/68/427416168.db2.gz XWSPYRNGABHFAE-AEFFLSMTSA-N 2 0 304.478 2.705 20 0 DFADRP CC(C)[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)C[NH+](C)C(C)C ZINC000183913323 427355710 /nfs/dbraw/zinc/35/57/10/427355710.db2.gz TYJZKSQRSLIXLI-SFHVURJKSA-N 2 0 319.493 2.599 20 0 DFADRP CC(C)c1ccc([C@H](C)[NH+]2CCN([C@H]3CC[NH2+]C3)CC2)cc1 ZINC000262515388 427361773 /nfs/dbraw/zinc/36/17/73/427361773.db2.gz NKYFGOJTDIKDLD-LPHOPBHVSA-N 2 0 301.478 2.851 20 0 DFADRP O[C@@H]1CC[N@H+](Cc2ccccc2C[NH2+][C@@H]2CCC[C@H]2CCF)C1 ZINC000285903149 427366789 /nfs/dbraw/zinc/36/67/89/427366789.db2.gz BKIPTAKWOGOBON-KFKAGJAMSA-N 2 0 320.452 2.871 20 0 DFADRP Cc1ccc([C@@H](CCn2cncn2)[NH2+]C[C@@H](C)C[NH+](C)C)cc1 ZINC000293815307 427447448 /nfs/dbraw/zinc/44/74/48/427447448.db2.gz VURLOVYLFAAWDA-SJLPKXTDSA-N 2 0 315.465 2.505 20 0 DFADRP CCC[C@@](C)([NH3+])C(=O)Nc1ccc(CC[NH+]2CCCC2)cc1 ZINC000263249207 427447960 /nfs/dbraw/zinc/44/79/60/427447960.db2.gz IYFGVPWAQHLGBO-GOSISDBHSA-N 2 0 303.450 2.781 20 0 DFADRP CC(C)[NH+]1CCC([NH2+][C@H]2CCN(c3ccccc3F)C2)CC1 ZINC000293823657 427450901 /nfs/dbraw/zinc/45/09/01/427450901.db2.gz WDGFHKRMGOQROO-INIZCTEOSA-N 2 0 305.441 2.867 20 0 DFADRP O=C(Nc1ccc(C[NH+]2CCCC2)cc1)[C@@H]1CCC[N@@H+]1C1CC1 ZINC000278809454 427461407 /nfs/dbraw/zinc/46/14/07/427461407.db2.gz ZHABHYDIHNUZJV-SFHVURJKSA-N 2 0 313.445 2.848 20 0 DFADRP C[N@H+](CCCNC(=O)C1CC[NH+](C2CC2)CC1)C1CCCCC1 ZINC000338771049 427477958 /nfs/dbraw/zinc/47/79/58/427477958.db2.gz NGLLQWWLOYCTOD-UHFFFAOYSA-N 2 0 321.509 2.632 20 0 DFADRP c1ccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@H]([NH2+]C[C@H]2CCOC2)C3)cc1 ZINC000278157227 427420344 /nfs/dbraw/zinc/42/03/44/427420344.db2.gz BBSYUOVQJXLIJX-MKXGPGLRSA-N 2 0 300.446 2.808 20 0 DFADRP c1ccc(COCC[NH2+]C2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC000297659123 427422259 /nfs/dbraw/zinc/42/22/59/427422259.db2.gz NSOGHZFOQKXTCH-UHFFFAOYSA-N 2 0 311.429 2.857 20 0 DFADRP C[C@H]1[C@H]([NH2+]CCCC[NH+](C)C)CCCN1Cc1ccccc1 ZINC000293764653 427428133 /nfs/dbraw/zinc/42/81/33/427428133.db2.gz PEFGVLJNOXTKSK-PKOBYXMFSA-N 2 0 303.494 2.971 20 0 DFADRP COc1ccc(C[N@H+](C)CC2CC[NH+](C[C@@H](C)O)CC2)cc1C ZINC000271167083 427429329 /nfs/dbraw/zinc/42/93/29/427429329.db2.gz NVDCLCDWJCAFCW-MRXNPFEDSA-N 2 0 320.477 2.528 20 0 DFADRP C[C@@H]1[C@H]([NH2+]CCCC[NH+](C)C)CCCN1Cc1ccccc1 ZINC000293764635 427429558 /nfs/dbraw/zinc/42/95/58/427429558.db2.gz PEFGVLJNOXTKSK-IEBWSBKVSA-N 2 0 303.494 2.971 20 0 DFADRP C[C@H](O)C[NH+]1CCC(C[N@H+](C)Cc2cccc3cc[nH]c32)CC1 ZINC000271170261 427431291 /nfs/dbraw/zinc/43/12/91/427431291.db2.gz PPHMQUOKJKLRIM-HNNXBMFYSA-N 2 0 315.461 2.693 20 0 DFADRP C[C@H](CNC(=O)[C@@H]1CCCC[C@]1(C)[NH3+])[N@H+](C)Cc1ccccc1 ZINC000263185993 427433084 /nfs/dbraw/zinc/43/30/84/427433084.db2.gz HHHSNKFXVUFTEJ-AYBZRNKSSA-N 2 0 317.477 2.531 20 0 DFADRP CC[NH+]1CCN([C@H](C)C[NH2+][C@H](C)[C@@H]2C[C@@H]2c2ccccc2)CC1 ZINC000338688313 427438718 /nfs/dbraw/zinc/43/87/18/427438718.db2.gz OTYONUJIUBIHBV-IZBJGVDFSA-N 2 0 315.505 2.794 20 0 DFADRP CN(C)CC[NH+]1CCC(C[NH2+]C(C2CCC2)C2CCC2)CC1 ZINC000338791006 427490998 /nfs/dbraw/zinc/49/09/98/427490998.db2.gz XUAWEQSGZFPKKP-UHFFFAOYSA-N 2 0 307.526 2.818 20 0 DFADRP CC[N@H+]1C[C@H](N[C@H](C[NH+](C)C)c2ccc(Cl)cc2)[C@@H](C)C1 ZINC000338795204 427494861 /nfs/dbraw/zinc/49/48/61/427494861.db2.gz RAQAJNARKJARSN-RRQGHBQHSA-N 2 0 309.885 2.873 20 0 DFADRP CC1(C)OCC[C@@H]1[NH2+]C[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000293956454 427501650 /nfs/dbraw/zinc/50/16/50/427501650.db2.gz ZQTRZRFYQBUZLA-MSOLQXFVSA-N 2 0 302.462 2.708 20 0 DFADRP CC(C)(C[NH2+]C1CCC(O)CC1)N1CCc2ccccc2C1 ZINC000286356115 427503086 /nfs/dbraw/zinc/50/30/86/427503086.db2.gz YZGPDEVCDQNZPX-UHFFFAOYSA-N 2 0 302.462 2.716 20 0 DFADRP CN(c1ccncc1Br)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000286381674 427511673 /nfs/dbraw/zinc/51/16/73/427511673.db2.gz NEHVAOODXGNKAN-FOSCPWQOSA-N 2 0 310.239 2.906 20 0 DFADRP O[C@H](CC[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1)c1ccccc1 ZINC000286433533 427529245 /nfs/dbraw/zinc/52/92/45/427529245.db2.gz NADPJOALKYYBRG-IEBWSBKVSA-N 2 0 302.462 2.918 20 0 DFADRP Cc1nccc(N2CCN(Cc3ccc([C@@H]4C[C@@H]4C)o3)CC2)n1 ZINC000184769307 427536349 /nfs/dbraw/zinc/53/63/49/427536349.db2.gz UMDZFHOYTMTBCH-XJKSGUPXSA-N 2 0 312.417 2.824 20 0 DFADRP C[C@H](C[NH2+][C@H](C)c1ccc(N2CCCOC2=O)cc1)C[NH+](C)C ZINC000294073421 427540685 /nfs/dbraw/zinc/54/06/85/427540685.db2.gz HYBWQNCHVLUDSR-HUUCEWRRSA-N 2 0 319.449 2.882 20 0 DFADRP CC[NH+](CC)[C@H](CNC(=O)[C@](C)([NH3+])c1ccccc1)CC(C)C ZINC000192515310 427554253 /nfs/dbraw/zinc/55/42/53/427554253.db2.gz RACUFFPRJUBFPL-PKOBYXMFSA-N 2 0 319.493 2.733 20 0 DFADRP Cc1nccn1CCCC[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000294311057 427619640 /nfs/dbraw/zinc/61/96/40/427619640.db2.gz VVWZYJTZESNZBX-UHFFFAOYSA-N 3 0 313.449 2.625 20 0 DFADRP CC[C@@H]1CCCCN1CC[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000298299894 427565079 /nfs/dbraw/zinc/56/50/79/427565079.db2.gz HNOARQPMWYHVTK-GOSISDBHSA-N 2 0 316.493 2.905 20 0 DFADRP Cc1cccc(NC(=O)CN(C)C2CC[NH+](C(C)C)CC2)c1 ZINC000263776941 427567935 /nfs/dbraw/zinc/56/79/35/427567935.db2.gz XQSMYKQYBXAJFP-UHFFFAOYSA-N 2 0 303.450 2.738 20 0 DFADRP CC(C)[C@H](C[NH2+]CCc1cccc(Cl)c1)N1CC[NH+](C)CC1 ZINC000298313706 427570534 /nfs/dbraw/zinc/57/05/34/427570534.db2.gz IAMNJGWDFQAKQQ-SFHVURJKSA-N 2 0 323.912 2.744 20 0 DFADRP CCc1ccc(C[NH+]2CCC(CC[NH+]3CCOCC3)CC2)nc1 ZINC000338942074 427572354 /nfs/dbraw/zinc/57/23/54/427572354.db2.gz PBWBCCVOSBQZOP-UHFFFAOYSA-N 2 0 317.477 2.578 20 0 DFADRP CCCNC(=O)c1cccc(CNC2C[C@H]3CC[C@@H](C2)[N@H+]3C)c1 ZINC000192684212 427585193 /nfs/dbraw/zinc/58/51/93/427585193.db2.gz DAKHJAUHSGYTRE-AYHJJNSGSA-N 2 0 315.461 2.541 20 0 DFADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]CCCN1CCc2ccccc21 ZINC000192702918 427591943 /nfs/dbraw/zinc/59/19/43/427591943.db2.gz IAHFVHYKLRCQLC-JFIYKMOQSA-N 2 0 301.478 2.758 20 0 DFADRP C[N@H+]1CC=C(CNC(=O)c2cccc(Oc3ccncc3)c2)CC1 ZINC000272031474 427604686 /nfs/dbraw/zinc/60/46/86/427604686.db2.gz WRDNLWXQAUXODA-UHFFFAOYSA-N 2 0 323.396 2.866 20 0 DFADRP Cc1cc(C)n(CCC[NH2+]C2CCN(c3cc[nH+]cc3)CC2)n1 ZINC000294278817 427607704 /nfs/dbraw/zinc/60/77/04/427607704.db2.gz SODQFBIFEGGILB-UHFFFAOYSA-N 2 0 313.449 2.544 20 0 DFADRP C[NH+](C)C[C@H](NC(=O)CC1(C[NH3+])CCCCC1)c1ccccc1 ZINC000185352365 427640644 /nfs/dbraw/zinc/64/06/44/427640644.db2.gz QJAIVVVCPCZGNM-KRWDZBQOSA-N 2 0 317.477 2.705 20 0 DFADRP CC[N@@H+]1CC[C@H]([NH+](C)C[C@@H](O)Cc2cccc(Cl)c2)[C@H](C)C1 ZINC000287566179 427641354 /nfs/dbraw/zinc/64/13/54/427641354.db2.gz BLMBBTRRWCEOAC-JLSDUUJJSA-N 2 0 324.896 2.906 20 0 DFADRP O[C@@H](Cc1cccc(Cl)c1)C[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000287586296 427646870 /nfs/dbraw/zinc/64/68/70/427646870.db2.gz CNXAVUHMNCGZBU-WMZOPIPTSA-N 2 0 322.880 2.661 20 0 DFADRP C[N@@H+]1CCCC[C@@H]1CC[NH+]1CC[C@H](OCc2ccncc2)C1 ZINC000287583823 427648321 /nfs/dbraw/zinc/64/83/21/427648321.db2.gz CIVPLJVWLVJFDW-MSOLQXFVSA-N 2 0 303.450 2.547 20 0 DFADRP C[C@@H](C[NH+]1CCCCCC1)NC(=O)c1ccc(C[NH+](C)C)cc1 ZINC000185416096 427648893 /nfs/dbraw/zinc/64/88/93/427648893.db2.gz JRYUNCMKNIEQPZ-INIZCTEOSA-N 2 0 317.477 2.743 20 0 DFADRP C[C@@H](CCc1cccn1C)[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000298568093 427652749 /nfs/dbraw/zinc/65/27/49/427652749.db2.gz WTPHRAFOFBGWHN-INIZCTEOSA-N 2 0 312.461 3.000 20 0 DFADRP C[C@H]([NH2+]C[C@@H]1CCOC[C@@H]1C)c1ccc(OCC[NH+](C)C)cc1 ZINC000287632443 427657402 /nfs/dbraw/zinc/65/74/02/427657402.db2.gz UGPQEFMAAILBCX-BQFCYCMXSA-N 2 0 320.477 2.950 20 0 DFADRP Fc1cc(CN[C@@H]2CC[N@@H+]3CCC[C@H]3C2)ccc1-n1ccnc1 ZINC000339065001 427657932 /nfs/dbraw/zinc/65/79/32/427657932.db2.gz BDDIECKROPYMTG-CVEARBPZSA-N 2 0 314.408 2.728 20 0 DFADRP CC(C)[N@H+](C)Cc1ccccc1CNC(=O)[C@H]1CCC[NH2+][C@H]1C ZINC000342691252 272042404 /nfs/dbraw/zinc/04/24/04/272042404.db2.gz CCWQYTZJEVTPQA-YJBOKZPZSA-N 2 0 317.477 2.531 20 0 DFADRP CC(C)[N@H+](C)Cc1ccccc1CNC(=O)[C@H]1CCC[NH2+][C@@H]1C ZINC000342691250 272042534 /nfs/dbraw/zinc/04/25/34/272042534.db2.gz CCWQYTZJEVTPQA-QAPCUYQASA-N 2 0 317.477 2.531 20 0 DFADRP CC[NH+](CC)[C@@H](CN[C@@H]1C[N@H+](CC)C[C@@H]1C)c1ccccc1 ZINC000342944177 272069535 /nfs/dbraw/zinc/06/95/35/272069535.db2.gz IUXKXQYJGLBNMH-UHOSZYNNSA-N 2 0 303.494 2.999 20 0 DFADRP C[C@H]1CN(C)C[C@H]1[NH2+]Cc1ccc(C[NH+]2CCC(C)CC2)cc1 ZINC000343252811 272105601 /nfs/dbraw/zinc/10/56/01/272105601.db2.gz JSMJDNUBBTYNOA-FXAWDEMLSA-N 3 0 315.505 2.958 20 0 DFADRP CC[NH+](CC)CCC[C@H](C)[NH2+]C[C@H]1CCO[C@@H]1c1ccnn1C ZINC000343351895 272125895 /nfs/dbraw/zinc/12/58/95/272125895.db2.gz FCBYCEVXBBDGQR-JZXOWHBKSA-N 2 0 322.497 2.598 20 0 DFADRP COC(=O)c1occc1C[NH2+]CCCC[N@@H+]1CCC[C@H](C)C1 ZINC000343479583 272156486 /nfs/dbraw/zinc/15/64/86/272156486.db2.gz RGOZYXBNQSEDNM-AWEZNQCLSA-N 2 0 308.422 2.668 20 0 DFADRP Cc1ccc(CCC[NH+]2CCC([N@@H+](C)C[C@@H](C)O)CC2)cc1 ZINC000343548395 272168062 /nfs/dbraw/zinc/16/80/62/272168062.db2.gz IOIMSKNKEKNWIS-QGZVFWFLSA-N 2 0 304.478 2.705 20 0 DFADRP COC(=O)c1occc1C[NH2+]CCCC[NH+]1CCC(C)CC1 ZINC000343561980 272171344 /nfs/dbraw/zinc/17/13/44/272171344.db2.gz FFTJJRHGDBBKOM-UHFFFAOYSA-N 2 0 308.422 2.668 20 0 DFADRP CCC[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC000343655845 272195062 /nfs/dbraw/zinc/19/50/62/272195062.db2.gz IPJVUJOWBZQYCJ-AEFFLSMTSA-N 2 0 321.509 2.632 20 0 DFADRP CCc1ccc(C[N@@H+]2CCN(C3CC[NH+](C)CC3)[C@H](C)C2)cc1 ZINC000343693494 272202924 /nfs/dbraw/zinc/20/29/24/272202924.db2.gz BWXHOWMOLKJKJL-QGZVFWFLSA-N 2 0 315.505 2.849 20 0 DFADRP C[N@H+](C[C@H](O)C(C)(C)C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000343723944 272208524 /nfs/dbraw/zinc/20/85/24/272208524.db2.gz YAZPTEMXKLAYGY-KRWDZBQOSA-N 2 0 305.466 2.637 20 0 DFADRP C[C@H](CN(C)Cc1ccccc1)[NH2+][C@@H]1C[C@@H](C)N(C2CC2)C1 ZINC000343923250 272238071 /nfs/dbraw/zinc/23/80/71/272238071.db2.gz GMPVHVVJZGVAIT-JFIYKMOQSA-N 2 0 301.478 2.722 20 0 DFADRP CCC[NH+]1CCN(c2ccccc2C[NH2+]CC[C@H](C)OC)CC1 ZINC000343984401 272247351 /nfs/dbraw/zinc/24/73/51/272247351.db2.gz ZVUBDEIQTCVICW-KRWDZBQOSA-N 2 0 319.493 2.733 20 0 DFADRP CN(CCC[N@H+](C)C[C@@H]1CCc2ccccc2C1)CC[NH+](C)C ZINC000344024352 272250685 /nfs/dbraw/zinc/25/06/85/272250685.db2.gz HZYAYNBBUBFDNR-GOSISDBHSA-N 2 0 317.521 2.607 20 0 DFADRP CSc1ccccc1C[N@H+](C)CCCN(C)CC[NH+](C)C ZINC000344027289 272251375 /nfs/dbraw/zinc/25/13/75/272251375.db2.gz KWKQDSMWJBIHJI-UHFFFAOYSA-N 2 0 309.523 2.724 20 0 DFADRP C[NH+](C)CCOc1cnccc1C[NH2+][C@H]1CCC12CCCC2 ZINC000344082292 272259743 /nfs/dbraw/zinc/25/97/43/272259743.db2.gz OXLPUEDNEKKUBP-KRWDZBQOSA-N 2 0 303.450 2.834 20 0 DFADRP CC[C@H](C(=O)NC[C@H](c1ccc(F)cc1)[NH+](C)C)[NH+](CC)CC ZINC000344092794 272261427 /nfs/dbraw/zinc/26/14/27/272261427.db2.gz OWSIFPUKGBZMIY-IAGOWNOFSA-N 2 0 323.456 2.665 20 0 DFADRP Cc1cc(C[NH2+][C@H](C)CCN2CCOCC2)cc2cccnc12 ZINC000344206056 272287718 /nfs/dbraw/zinc/28/77/18/272287718.db2.gz DQUYTRYWJALCNC-MRXNPFEDSA-N 2 0 313.445 2.744 20 0 DFADRP C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)[C@@H]2CC[NH+](C)[C@H](C)C2)C1 ZINC000344219773 272289925 /nfs/dbraw/zinc/28/99/25/272289925.db2.gz ZNLAUDGITTXZKA-YYIAUSFCSA-N 2 0 323.525 2.589 20 0 DFADRP CC(C)n1nccc1[C@@H]1OCC[C@@H]1[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000344248412 272296796 /nfs/dbraw/zinc/29/67/96/272296796.db2.gz LDFCBJQUYJOXDY-NBOOPKSLSA-N 2 0 318.465 2.510 20 0 DFADRP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](N[C@H]2CC[NH+](C)C[C@H]2C)C1 ZINC000344278131 272303418 /nfs/dbraw/zinc/30/34/18/272303418.db2.gz XBYXBEBOHFIPCO-RWQQGDIJSA-N 2 0 301.478 2.752 20 0 DFADRP C[C@@H]1[C@@H]([NH2+]Cc2ccc(Oc3cnccn3)cc2)CCCN1C ZINC000344318350 272311174 /nfs/dbraw/zinc/31/11/74/272311174.db2.gz AZENDRVUSHQSBT-PBHICJAKSA-N 2 0 312.417 2.841 20 0 DFADRP Cn1c2c(nc1[C@@H]1CCCN1CC[C@@H]1CCC[N@@H+]1C)CCCC2 ZINC000344362676 272320761 /nfs/dbraw/zinc/32/07/61/272320761.db2.gz IQHJKDQPEGEBRO-YJBOKZPZSA-N 2 0 316.493 2.920 20 0 DFADRP CCN1C[C@H]([NH2+][C@@H]2CCCN(c3cccc(F)c3)C2)[C@@H](C)C1 ZINC000344387162 272325322 /nfs/dbraw/zinc/32/53/22/272325322.db2.gz RHDDATANMACVEG-LESCRADOSA-N 2 0 305.441 2.724 20 0 DFADRP CC1(C)[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C[C@@H]1O ZINC000193313613 427683833 /nfs/dbraw/zinc/68/38/33/427683833.db2.gz MCBIZNMAKSZKKG-TZOQOTQKSA-N 2 0 314.473 2.931 20 0 DFADRP CC[NH+](CC)CC1CCN(C(=O)[C@@H](C)[NH+]2CCCCCC2)CC1 ZINC000344796634 272370610 /nfs/dbraw/zinc/37/06/10/272370610.db2.gz UPARPFNIXPHMQC-QGZVFWFLSA-N 2 0 323.525 2.831 20 0 DFADRP CC[C@@H](NCC1([NH3+])C2CC3CC(C2)CC1C3)[C@@H]1CCCC[NH2+]1 ZINC000333833523 427697066 /nfs/dbraw/zinc/69/70/66/427697066.db2.gz MYKNWEMOSSUBQX-WKZQYRDASA-N 2 0 305.510 2.650 20 0 DFADRP C[C@H]([NH2+]CCC1CC[NH+](C)CC1)c1cccc(-n2ccnn2)c1 ZINC000287886519 427710951 /nfs/dbraw/zinc/71/09/51/427710951.db2.gz YSGCGPDGJFTEHU-HNNXBMFYSA-N 2 0 313.449 2.650 20 0 DFADRP C[C@@H](CCN1CC[NH+](C)CC1)[NH2+]Cc1ccc(F)cc1Cl ZINC000185864497 427720645 /nfs/dbraw/zinc/72/06/45/427720645.db2.gz VNLMBTGSUCNXCQ-ZDUSSCGKSA-N 2 0 313.848 2.595 20 0 DFADRP [NH3+]CC[C@H]1CCC[N@H+](CCCc2nc(-c3cccs3)no2)C1 ZINC000336852723 427759481 /nfs/dbraw/zinc/75/94/81/427759481.db2.gz XBJMUYCRAWNUSN-CYBMUJFWSA-N 2 0 320.462 2.792 20 0 DFADRP C[N@@H+]1CCC[C@@H]1CC[NH+](CCO)[C@H]1CCCc2ccccc21 ZINC000336858181 427763129 /nfs/dbraw/zinc/76/31/29/427763129.db2.gz XLQRXABGSQMXMT-MJGOQNOKSA-N 2 0 302.462 2.843 20 0 DFADRP [NH3+]CCCOC1CC[NH+](Cc2cc(Cl)cc3c2OCC3)CC1 ZINC000336860083 427763981 /nfs/dbraw/zinc/76/39/81/427763981.db2.gz NLPWDYCMKSBOBR-UHFFFAOYSA-N 2 0 324.852 2.605 20 0 DFADRP CC(C)[C@H](C[NH2+][C@@H](C)CCCC(F)(F)F)N1CC[NH+](C)CC1 ZINC000336860892 427764210 /nfs/dbraw/zinc/76/42/10/427764210.db2.gz VWQMWTDKYITGEK-GJZGRUSLSA-N 2 0 323.447 2.969 20 0 DFADRP C[N@H+](CCCNC(=O)C[C@@H]1CCCC[C@H]1[NH3+])C1CCCCC1 ZINC000336864590 427766155 /nfs/dbraw/zinc/76/61/55/427766155.db2.gz HPVWPYDCPFMNKH-DOTOQJQBSA-N 2 0 309.498 2.665 20 0 DFADRP [NH3+][C@@H]1CCC[C@H]2C[N@H+](CCCc3ccc4c(c3)CCO4)C[C@H]21 ZINC000339407911 427768722 /nfs/dbraw/zinc/76/87/22/427768722.db2.gz QDMXKDWHUKXVTQ-RCCFBDPRSA-N 2 0 300.446 2.613 20 0 DFADRP CC[C@H](C(=O)NC[C@@H](C)[NH+](CC)CC)[N@H+](C)Cc1ccccc1 ZINC000339439044 427775742 /nfs/dbraw/zinc/77/57/42/427775742.db2.gz RFIVRVZKAAWZDZ-SJLPKXTDSA-N 2 0 319.493 2.744 20 0 DFADRP Cn1cc([C@@H](CNc2cc[nH+]c3cc(F)ccc23)[NH+](C)C)cn1 ZINC000301306009 427788145 /nfs/dbraw/zinc/78/81/45/427788145.db2.gz YMGDXMSGKMTXBD-QGZVFWFLSA-N 2 0 313.380 2.822 20 0 DFADRP Cc1ccc(C)c(C[NH2+]C(C)(C)CCN2CC[NH+](C)CC2)c1 ZINC000185891425 427724320 /nfs/dbraw/zinc/72/43/20/427724320.db2.gz UILOWEAJIPOELT-UHFFFAOYSA-N 2 0 303.494 2.809 20 0 DFADRP CCCOc1ccc(CN2C[C@@H]3C[N@@H+](C)C[C@@H]3C2)cc1OCC ZINC000194543673 427747736 /nfs/dbraw/zinc/74/77/36/427747736.db2.gz GHAUVDPPFQFMFC-CALCHBBNSA-N 2 0 318.461 2.868 20 0 DFADRP CC[C@@H]1CN(c2cc(C)[nH+]c3ccccc32)CC[N@@H+]1C[C@@H](C)O ZINC000301410681 427795206 /nfs/dbraw/zinc/79/52/06/427795206.db2.gz OWALKQRGVKQDLB-HZPDHXFCSA-N 2 0 313.445 2.825 20 0 DFADRP CC[NH+]1CCN(c2ccccc2C[NH2+][C@H]2CCC[C@@H]2F)CC1 ZINC000339588469 427797446 /nfs/dbraw/zinc/79/74/46/427797446.db2.gz YYCGINFYBNPBHX-IRXDYDNUSA-N 2 0 305.441 2.809 20 0 DFADRP CC[NH+]1CCN(c2ccccc2C[NH2+][C@@H]2CCC[C@@H]2F)CC1 ZINC000339588467 427797511 /nfs/dbraw/zinc/79/75/11/427797511.db2.gz YYCGINFYBNPBHX-DLBZAZTESA-N 2 0 305.441 2.809 20 0 DFADRP Cc1cc(N2CCCC[C@@H]2CN2CCOCC2)nc(C(C)C)n1 ZINC000301648440 427812849 /nfs/dbraw/zinc/81/28/49/427812849.db2.gz ISYFAXAKDAYRJO-MRXNPFEDSA-N 2 0 318.465 2.600 20 0 DFADRP CC(C)OC[C@@H](C)[NH2+]C[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000337325029 427847061 /nfs/dbraw/zinc/84/70/61/427847061.db2.gz BQRCQGFCGWACOQ-MJGOQNOKSA-N 2 0 304.478 2.954 20 0 DFADRP Cc1cc2ccccc2c(N2CC[C@@H](C[NH+]3CCOCC3)C2)[nH+]1 ZINC000302037812 427849073 /nfs/dbraw/zinc/84/90/73/427849073.db2.gz KMFGYUAAZPVONW-INIZCTEOSA-N 2 0 311.429 2.702 20 0 DFADRP Cc1c[nH+]ccc1NCCC[N@H+]1CCN(C)C[C@@H]1c1ccccc1 ZINC000359440805 427852755 /nfs/dbraw/zinc/85/27/55/427852755.db2.gz SDSQQDXSLQZDLZ-HXUWFJFHSA-N 2 0 324.472 2.603 20 0 DFADRP C[C@@H]([NH2+]CCCC[NH+]1CCC(C)CC1)C(C)(C)n1cncn1 ZINC000340461779 427853458 /nfs/dbraw/zinc/85/34/58/427853458.db2.gz IEHPXQSWLMKDTB-MRXNPFEDSA-N 2 0 307.486 2.503 20 0 DFADRP C[N@H+](CCCNC(=O)[C@@H]1CCCC[C@]1(C)[NH3+])Cc1ccccc1 ZINC000345693809 427862512 /nfs/dbraw/zinc/86/25/12/427862512.db2.gz OZNSGSGUKAXKRE-HKUYNNGSSA-N 2 0 317.477 2.532 20 0 DFADRP CC(C)(C)n1cc(CN(CCC[NH3+])Cc2ccccc2)cn1 ZINC000359475181 427868303 /nfs/dbraw/zinc/86/83/03/427868303.db2.gz QUDPUTCPUMUDMU-UHFFFAOYSA-N 2 0 300.450 2.989 20 0 DFADRP Cc1ccc(C)c2c1CCC[C@H]2[NH2+]CC1(O)CC[NH+](C)CC1 ZINC000349823857 427874120 /nfs/dbraw/zinc/87/41/20/427874120.db2.gz WMVRURZKWGYPBI-QGZVFWFLSA-N 2 0 302.462 2.727 20 0 DFADRP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NCC[NH+]1CCCC1 ZINC000359508805 427881078 /nfs/dbraw/zinc/88/10/78/427881078.db2.gz HMEZHPJQNWPSIE-HKUYNNGSSA-N 2 0 301.478 2.582 20 0 DFADRP C[NH+](C)Cc1cccc(C(=O)NCC2([NH+](C)C)CCCCC2)c1 ZINC000355774987 427886966 /nfs/dbraw/zinc/88/69/66/427886966.db2.gz QEBUXLQQAAORKG-UHFFFAOYSA-N 2 0 317.477 2.743 20 0 DFADRP CC(C)[C@H](C(=O)N(C)CC[C@H]1CCCC[N@@H+]1C)[NH+]1CCCCC1 ZINC000359519176 427887735 /nfs/dbraw/zinc/88/77/35/427887735.db2.gz RDSOECUCXBNBHO-QZTJIDSGSA-N 2 0 323.525 2.830 20 0 DFADRP CC[N@@H+]1CC[C@H](C[NH2+][C@@H](C)Cc2cc(OC)c(OC)cc2C)C1 ZINC000337409602 427892496 /nfs/dbraw/zinc/89/24/96/427892496.db2.gz WHJBSJKCTIYADP-JKSUJKDBSA-N 2 0 320.477 2.875 20 0 DFADRP CC(C)C[C@H](C[NH+](C)C)NC(=O)[C@H](C)[N@H+](C)Cc1ccccc1 ZINC000345808561 427916113 /nfs/dbraw/zinc/91/61/13/427916113.db2.gz RHEFKGHYQQYUAU-FUHWJXTLSA-N 2 0 319.493 2.599 20 0 DFADRP Cc1nccnc1CC[NH2+]C1CC[NH+]([C@H]2CCCC[C@H]2C)CC1 ZINC000340488543 427860023 /nfs/dbraw/zinc/86/00/23/427860023.db2.gz BVBQDOYGDOMXKA-BEFAXECRSA-N 2 0 316.493 2.960 20 0 DFADRP CC[NH+](CC)CC1CCN(C(=O)[C@H](C)[NH2+]C(C)(C)CC)CC1 ZINC000355932247 427954432 /nfs/dbraw/zinc/95/44/32/427954432.db2.gz APNNBYRYPVLFQY-HNNXBMFYSA-N 2 0 311.514 2.734 20 0 DFADRP CCC[C@@H](C)CC(=O)N(CC[NH+](C)C)C[C@@H]1CCC[N@@H+]1CC ZINC000337567136 427962009 /nfs/dbraw/zinc/96/20/09/427962009.db2.gz ALINYKFLXQPRMK-SJORKVTESA-N 2 0 311.514 2.687 20 0 DFADRP CO[C@@]1(C[NH2+]CC(C)(C)C[N@H+](C)Cc2ccccc2)CCOC1 ZINC000359662468 427964027 /nfs/dbraw/zinc/96/40/27/427964027.db2.gz HHFRXHZNFBHUIY-LJQANCHMSA-N 2 0 320.477 2.540 20 0 DFADRP CCCC[N@H+](CC)Cc1cccc(CNC(=O)C[C@@H](C)[NH3+])c1 ZINC000340237903 427964060 /nfs/dbraw/zinc/96/40/60/427964060.db2.gz PDQMHVHELJDPGS-OAHLLOKOSA-N 2 0 305.466 2.662 20 0 DFADRP Cc1cccc(N2CCC([NH2+][C@@H](C)[C@]3(C)CCCO3)CC2)n1 ZINC000340244105 427965088 /nfs/dbraw/zinc/96/50/88/427965088.db2.gz DGZLPFPRHXAQPY-YJBOKZPZSA-N 2 0 303.450 2.906 20 0 DFADRP C[NH+](C)CCOCC[NH2+]Cc1ccc(-c2cccc(F)c2F)o1 ZINC000359685138 427973359 /nfs/dbraw/zinc/97/33/59/427973359.db2.gz ZDTYSYVRZXUVMN-UHFFFAOYSA-N 2 0 324.371 2.893 20 0 DFADRP C[C@H](CCNC(=O)C[C@@H]1CCC[C@@H]1[NH3+])[N@H+](C)Cc1ccccc1 ZINC000340116836 427932050 /nfs/dbraw/zinc/93/20/50/427932050.db2.gz BJLANVUHOIHWKB-NJAFHUGGSA-N 2 0 317.477 2.531 20 0 DFADRP C[C@@H]1CN(Cc2ccccc2)CC[C@H]1[N@H+](C)CCCCCO ZINC000304418225 427935728 /nfs/dbraw/zinc/93/57/28/427935728.db2.gz DZFZUGFSRDZHRS-IEBWSBKVSA-N 2 0 304.478 2.991 20 0 DFADRP C[C@H]([NH2+]CCCN1CC[NH+](C)CC1)c1cccc(C2CC2)c1 ZINC000340183935 427948356 /nfs/dbraw/zinc/94/83/56/427948356.db2.gz XOTZWNRNUUGLLD-INIZCTEOSA-N 2 0 301.478 2.852 20 0 DFADRP C[N@@H+]1CCCC[C@H]1CC[NH+]1CCC[C@@H](c2nncn2C2CC2)C1 ZINC000340914154 427949971 /nfs/dbraw/zinc/94/99/71/427949971.db2.gz LVBQHLAJPDFFTL-CVEARBPZSA-N 2 0 317.481 2.667 20 0 DFADRP CC(C)[C@H]1C[C@H]([NH2+]CCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CCO1 ZINC000346127541 428028206 /nfs/dbraw/zinc/02/82/06/428028206.db2.gz IFXQXEAYEJORHU-XMTFNYHQSA-N 2 0 312.498 2.669 20 0 DFADRP C[C@@H](O)C[C@@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000341332936 428035885 /nfs/dbraw/zinc/03/58/85/428035885.db2.gz XSRTWAQJFREQBA-ZLTBNTPESA-N 2 0 302.462 2.931 20 0 DFADRP COc1cc(C[NH2+]C[C@H]2CCC[C@@H]2N2CCOCC2)ccc1C ZINC000377085210 428053898 /nfs/dbraw/zinc/05/38/98/428053898.db2.gz XMOMFPGCONNRNX-MSOLQXFVSA-N 2 0 318.461 2.594 20 0 DFADRP CN1CC[C@H]([NH2+][C@@H]2CCC[C@H]2CCO)C[C@@H]1c1ccccc1 ZINC000340359688 427997893 /nfs/dbraw/zinc/99/78/93/427997893.db2.gz YJNHEYSQPKXPBZ-GDAAHCPNSA-N 2 0 302.462 2.963 20 0 DFADRP COc1cc2[nH+]ccc(N(C)CC[N@H+](C)C3CC3)c2cc1OC ZINC000413237130 427998152 /nfs/dbraw/zinc/99/81/52/427998152.db2.gz TYFLUAKHUJSDGC-UHFFFAOYSA-N 2 0 315.417 2.782 20 0 DFADRP CCC[C@H](C(=O)NC1CC[NH+](CC2CCCCC2)CC1)[NH+](C)C ZINC000376803171 428001484 /nfs/dbraw/zinc/00/14/84/428001484.db2.gz DYFQPFWDTZETNL-GOSISDBHSA-N 2 0 323.525 2.878 20 0 DFADRP COc1cc2[nH+]ccc(NCC3([NH+](C)C)CCC3)c2cc1OC ZINC000413252444 428002238 /nfs/dbraw/zinc/00/22/38/428002238.db2.gz WSHPQNXVAXOLBK-UHFFFAOYSA-N 2 0 315.417 2.570 20 0 DFADRP CC[C@H](C(=O)N1CCC[C@@H]1C[NH+]1CCCCC1)[NH+](CC)CC ZINC000359788167 428018977 /nfs/dbraw/zinc/01/89/77/428018977.db2.gz DNZKUGUNDDWFKO-IAGOWNOFSA-N 2 0 309.498 2.584 20 0 DFADRP CCC(C)(C)[NH2+][C@H](C)C(=O)N(CC(C)C)C1CC[NH+](C)CC1 ZINC000356206806 428068662 /nfs/dbraw/zinc/06/86/62/428068662.db2.gz BOZXGKMNRUEKGN-OAHLLOKOSA-N 2 0 311.514 2.732 20 0 DFADRP CC[N@@H+]1CC[C@H](NC[C@@H]2CC[NH+](C)[C@@H]2c2ccccc2)[C@@H](C)C1 ZINC000369849759 428075346 /nfs/dbraw/zinc/07/53/46/428075346.db2.gz CZRUFKMMAWWMOC-FRYIKTPZSA-N 2 0 315.505 2.999 20 0 DFADRP Cc1nn(-c2cc[nH+]cc2)cc1CN1CCC([NH2+]C(C)C)CC1 ZINC000346223834 428078864 /nfs/dbraw/zinc/07/88/64/428078864.db2.gz UTUSIKHBJIGCMB-UHFFFAOYSA-N 2 0 313.449 2.538 20 0 DFADRP CC(C)N1CCc2nc(C[N@H+](C)CC3CCOCC3)sc2C1 ZINC000346232953 428083325 /nfs/dbraw/zinc/08/33/25/428083325.db2.gz YZXYCHJNXQEMKC-UHFFFAOYSA-N 2 0 323.506 2.768 20 0 DFADRP CCC[C@H]([NH2+]C(C)C)C(=O)N[C@H](C)[C@@H](c1ccccc1)[NH+](C)C ZINC000356248776 428088003 /nfs/dbraw/zinc/08/80/03/428088003.db2.gz FAVNGVCXEYYYKD-NJAFHUGGSA-N 2 0 319.493 2.961 20 0 DFADRP Cc1cccc(C2CC([NH2+][C@H](C)CCN3CC[NH+](C)CC3)C2)c1 ZINC000369972997 428100892 /nfs/dbraw/zinc/10/08/92/428100892.db2.gz JMGGOAYTPACMCK-QHGAOEGBSA-N 2 0 315.505 2.857 20 0 DFADRP C[C@H]([NH3+])[C@@H]1CC[N@H+](Cc2ccc(OCc3cccnc3)cc2)C1 ZINC000351859707 428114432 /nfs/dbraw/zinc/11/44/32/428114432.db2.gz GWVKFFCAFKDHCK-MAUKXSAKSA-N 2 0 311.429 2.830 20 0 DFADRP C[C@@H]([NH3+])[C@@H]1CC[N@H+](Cc2ccc(OCc3cccnc3)cc2)C1 ZINC000351859706 428114610 /nfs/dbraw/zinc/11/46/10/428114610.db2.gz GWVKFFCAFKDHCK-CRAIPNDOSA-N 2 0 311.429 2.830 20 0 DFADRP O[C@H](C[NH2+]C1CC(c2cc(F)cc(F)c2)C1)C[NH+]1CCCCC1 ZINC000377397470 428119998 /nfs/dbraw/zinc/11/99/98/428119998.db2.gz KVFAKWNZGCJECI-IUPXNIOVSA-N 2 0 324.415 2.647 20 0 DFADRP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]CC1(c2ccccc2)CCOCC1 ZINC000360037299 428126910 /nfs/dbraw/zinc/12/69/10/428126910.db2.gz JQSXHZMOYIWEOC-SJLPKXTDSA-N 2 0 302.462 2.665 20 0 DFADRP C[N@@H+]1CC[C@H](NCc2cc(COC(C)(C)C)on2)[C@@H]2CCC[C@H]21 ZINC000377128796 428064296 /nfs/dbraw/zinc/06/42/96/428064296.db2.gz PHYHLWAHXSQVBL-YESZJQIVSA-N 2 0 321.465 2.952 20 0 DFADRP C[C@@H](O)C[N@H+](C)C1CC[NH+](CCCCc2ccccc2)CC1 ZINC000360058618 428139653 /nfs/dbraw/zinc/13/96/53/428139653.db2.gz XWFSMHJNJVNDEX-QGZVFWFLSA-N 2 0 304.478 2.786 20 0 DFADRP CC(C)[N@@H+]1CCCN(CC[NH+](C)Cc2ccc(F)cc2)CC1 ZINC000360058647 428139757 /nfs/dbraw/zinc/13/97/57/428139757.db2.gz YBSIXLYYKPIALN-UHFFFAOYSA-N 2 0 307.457 2.674 20 0 DFADRP CCC[NH+]1CCC(NC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC000360093365 428158917 /nfs/dbraw/zinc/15/89/17/428158917.db2.gz LHGHMOXJPZUARF-MRXNPFEDSA-N 2 0 321.509 2.632 20 0 DFADRP CC(C)[NH+]1CCC(C(=O)N2CCC([NH+]3CCCCC3)CC2)CC1 ZINC000360089754 428155942 /nfs/dbraw/zinc/15/59/42/428155942.db2.gz NCCUILHNKIMGCI-UHFFFAOYSA-N 2 0 321.509 2.584 20 0 DFADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)C[C@@H]1CCC[C@H]1C ZINC000346424611 428166681 /nfs/dbraw/zinc/16/66/81/428166681.db2.gz DLQHUPQAPSZNEY-FGTMMUONSA-N 2 0 323.525 2.687 20 0 DFADRP CC[N@@H+]1C[C@@H](C)N(CC[NH+](C)Cc2ccc(F)cc2)C[C@H]1C ZINC000360114630 428168795 /nfs/dbraw/zinc/16/87/95/428168795.db2.gz HZLXISVFZOWYGK-HZPDHXFCSA-N 2 0 307.457 2.672 20 0 DFADRP C[C@@H]([NH2+]Cc1ccccc1C[NH+]1CCC(O)CC1)[C@@H]1C[C@H]1C ZINC000414116831 428210518 /nfs/dbraw/zinc/21/05/18/428210518.db2.gz RMCWCIFIWJTVMH-SPYBWZPUSA-N 2 0 302.462 2.777 20 0 DFADRP CCN(CCO)CC[NH2+][C@@H]1C[C@H](C)C[C@@H](c2ccccc2)C1 ZINC000346554993 428215868 /nfs/dbraw/zinc/21/58/68/428215868.db2.gz XEWXRDJXOMUOLX-BHIYHBOVSA-N 2 0 304.478 2.863 20 0 DFADRP Cc1ccc(O)c(C[NH2+]C[C@H]2CC[N@@H+](C)[C@@H]2c2ccccc2)n1 ZINC000377758247 428218620 /nfs/dbraw/zinc/21/86/20/428218620.db2.gz BYOHNZNJLSIGQU-VQIMIIECSA-N 2 0 311.429 2.878 20 0 DFADRP CC(C)[NH2+]CCN1CCC[C@@H]([N@H+](C)Cc2ccccc2)CC1 ZINC000370484574 428220317 /nfs/dbraw/zinc/22/03/17/428220317.db2.gz PEMVCIBJLFHXGF-LJQANCHMSA-N 2 0 303.494 2.971 20 0 DFADRP CC[C@@H]([NH2+]Cc1ccncc1OCC[NH+](C)C)[C@H]1CC1(C)C ZINC000414165583 428222809 /nfs/dbraw/zinc/22/28/09/428222809.db2.gz PXEKOQBPJNOMDG-HZPDHXFCSA-N 2 0 305.466 2.936 20 0 DFADRP COC[C@@H]([NH2+]CC[C@H]1CCC[N@H+](C)C1)c1ccc(F)c(F)c1 ZINC000414172294 428224526 /nfs/dbraw/zinc/22/45/26/428224526.db2.gz DSXYHHYSYSCNQB-CXAGYDPISA-N 2 0 312.404 2.974 20 0 DFADRP C[C@@H]([NH2+]CC[C@@H]1CCC[N@H+](C)C1)c1nc2ccccc2n1C ZINC000414184813 428226471 /nfs/dbraw/zinc/22/64/71/428226471.db2.gz OJMRJWOCEYEBQC-CABCVRRESA-N 2 0 300.450 2.956 20 0 DFADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]C2CCC(OC)CC2)[C@H](C)C1 ZINC000414180214 428226845 /nfs/dbraw/zinc/22/68/45/428226845.db2.gz LLENMVKYZBATIC-AQEOSJORSA-N 2 0 312.498 2.671 20 0 DFADRP C[C@@H]([NH2+]CC[C@@H]1CCC[N@H+](C)C1)c1cccc(-n2ccnn2)c1 ZINC000414187205 428229133 /nfs/dbraw/zinc/22/91/33/428229133.db2.gz PRCLPILEUIFIJO-CVEARBPZSA-N 2 0 313.449 2.650 20 0 DFADRP COc1cccc2c1C[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@H]3CCC[C@@H]31)C2 ZINC000414203519 428233223 /nfs/dbraw/zinc/23/32/23/428233223.db2.gz ZJTLQUYXAGUCGB-AHCXZYCDSA-N 2 0 300.446 2.625 20 0 DFADRP CN1CC[C@@H]([NH2+]CC[C@H]2CCC[N@@H+]2C)[C@@H]1c1ccc(F)cc1 ZINC000377667711 428188303 /nfs/dbraw/zinc/18/83/03/428188303.db2.gz DOTHTAAMCWFKMA-KURKYZTESA-N 2 0 305.441 2.645 20 0 DFADRP C[C@H]([NH2+]Cc1ccc(CN2CC[NH+](C)CC2)cc1)[C@@H]1C[C@H]1C ZINC000414076701 428198492 /nfs/dbraw/zinc/19/84/92/428198492.db2.gz QIALKSYJXPOFAA-JTDSTZFVSA-N 2 0 301.478 2.568 20 0 DFADRP C[C@@H]1CCCC[C@@H]1C[N@@H+]1CCCC[C@H](N2CCN(C)CC2)C1 ZINC000377698810 428198699 /nfs/dbraw/zinc/19/86/99/428198699.db2.gz MQCQFEINJZJHLV-QRVBRYPASA-N 2 0 307.526 2.915 20 0 DFADRP C[C@H]([NH2+]CC1CC[NH+](Cc2ccccc2)CC1)c1ccn(C)n1 ZINC000414085503 428202801 /nfs/dbraw/zinc/20/28/01/428202801.db2.gz YPNCIUJHMDYESF-INIZCTEOSA-N 2 0 312.461 2.983 20 0 DFADRP Cc1occc1C[N@@H+](C)C[C@@H]1CCCN(C)[C@H]1c1ccnn1C ZINC000414444371 428298347 /nfs/dbraw/zinc/29/83/47/428298347.db2.gz FKSKJESQJDXPJF-FUHWJXTLSA-N 2 0 316.449 2.836 20 0 DFADRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H]2C[C@H]2c2ccco2)[C@H](C)C1 ZINC000414350835 428265691 /nfs/dbraw/zinc/26/56/91/428265691.db2.gz ZNXRSWVFVDYDGO-WCXIOVBPSA-N 2 0 306.450 2.862 20 0 DFADRP [NH3+]CC1CC[NH+](Cc2c[nH]nc2-c2ccc(Cl)cc2)CC1 ZINC000346678284 428270906 /nfs/dbraw/zinc/27/09/06/428270906.db2.gz YJMJOPMIEUYGHF-UHFFFAOYSA-N 2 0 304.825 2.901 20 0 DFADRP C[N@@H+]1CC[C@H]([NH2+][C@@H]2CCN(c3ccc(F)cc3)C2)[C@@H]2CCC[C@@H]21 ZINC000414355947 428271615 /nfs/dbraw/zinc/27/16/15/428271615.db2.gz ZKHOFSDYJFCOKF-BVBHFADKSA-N 2 0 317.452 2.867 20 0 DFADRP Cc1cc(C[NH+]2CCC(OCCC[NH3+])CC2)cc2cccnc12 ZINC000346685899 428273123 /nfs/dbraw/zinc/27/31/23/428273123.db2.gz QTEFXFKEIYEINL-UHFFFAOYSA-N 2 0 313.445 2.873 20 0 DFADRP [NH3+]CCCOC1CC[NH+](C/C=C\c2ccc(F)cc2F)CC1 ZINC000346693110 428275269 /nfs/dbraw/zinc/27/52/69/428275269.db2.gz KUZFHUKEJUPTQT-IWQZZHSRSA-N 2 0 310.388 2.808 20 0 DFADRP C[C@H](Cc1ccccc1F)[NH2+][C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000370688279 428275486 /nfs/dbraw/zinc/27/54/86/428275486.db2.gz FYCQFESFTCJVSN-NVXWUHKLSA-N 2 0 319.468 2.515 20 0 DFADRP C[C@H]1C[C@H](C[NH3+])C[N@@H+]1Cc1ccc(OCc2ccncc2)cc1 ZINC000346693419 428277293 /nfs/dbraw/zinc/27/72/93/428277293.db2.gz NAPZSTKZYMMDDC-MAUKXSAKSA-N 2 0 311.429 2.830 20 0 DFADRP Cc1ccc(C[N@@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@H](C)C2)c(C)c1 ZINC000370706675 428279635 /nfs/dbraw/zinc/27/96/35/428279635.db2.gz CCVVOHMTZNQXGA-UYAOXDASSA-N 2 0 315.505 2.761 20 0 DFADRP Cc1ccc(C[N@@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@@H](C)C2)s1 ZINC000370712007 428280958 /nfs/dbraw/zinc/28/09/58/428280958.db2.gz YZOYOZMFUZQYTP-YOEHRIQHSA-N 2 0 307.507 2.514 20 0 DFADRP Cc1ccc(C[N@@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@@H](C)C2)s1 ZINC000370712006 428281347 /nfs/dbraw/zinc/28/13/47/428281347.db2.gz YZOYOZMFUZQYTP-WMLDXEAASA-N 2 0 307.507 2.514 20 0 DFADRP c1ccc(C[N@H+]2CC[C@@H](N3CC[NH+](CCC4CC4)CC3)C2)cc1 ZINC000352881494 428292593 /nfs/dbraw/zinc/29/25/93/428292593.db2.gz ZRTNRKDOFYEDJG-HXUWFJFHSA-N 2 0 313.489 2.679 20 0 DFADRP CCC[C@H]([NH3+])C(=O)N(C)C1CC[NH+](C2CCC(C)CC2)CC1 ZINC000370765019 428293087 /nfs/dbraw/zinc/29/30/87/428293087.db2.gz AXIGDJQKXUMERZ-PREGVCBESA-N 2 0 309.498 2.615 20 0 DFADRP CCCC[N@H+](C)C[C@H](C)NC(=O)[C@@H]1CCC[NH+]1C1CCCC1 ZINC000356607744 428253528 /nfs/dbraw/zinc/25/35/28/428253528.db2.gz YEJXJUWBDXVYJM-RDJZCZTQSA-N 2 0 309.498 2.630 20 0 DFADRP CC[NH+](C[C@H](C)C[N@@H+](CC)C[C@H]1CCCO1)C[C@@H]1CCCO1 ZINC000346645908 428254470 /nfs/dbraw/zinc/25/44/70/428254470.db2.gz QIRGUMKQXGFWME-NNZMDNLPSA-N 2 0 312.498 2.624 20 0 DFADRP Cc1ccc([C@H](C)[NH2+][C@@H]2CCN(C3CC[NH+](C)CC3)C2)s1 ZINC000370625428 428257608 /nfs/dbraw/zinc/25/76/08/428257608.db2.gz XSNHHIRFSJMKDK-LSDHHAIUSA-N 2 0 307.507 2.876 20 0 DFADRP C[C@H]([NH2+][C@@H]1CCC[C@H](CO)C1)c1cccc(OCC[NH+](C)C)c1 ZINC000414330853 428259628 /nfs/dbraw/zinc/25/96/28/428259628.db2.gz FGHZHPGCLBKDOG-XYJFISCASA-N 2 0 320.477 2.829 20 0 DFADRP CCc1ccc([C@@H](C)[NH2+][C@H]2CCN(C3CC[NH+](C)CC3)C2)o1 ZINC000370635413 428259833 /nfs/dbraw/zinc/25/98/33/428259833.db2.gz PBOSQLXZYJWHGL-CABCVRRESA-N 2 0 305.466 2.661 20 0 DFADRP C[C@@H](O)CCC[N@@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000352813493 428260889 /nfs/dbraw/zinc/26/08/89/428260889.db2.gz BTEZGRNWRXFXSJ-IEBWSBKVSA-N 2 0 302.462 2.745 20 0 DFADRP C[NH+]1CCC(C)(C[NH2+]C2CCN(CCC(F)(F)F)CC2)CC1 ZINC000356790474 428307878 /nfs/dbraw/zinc/30/78/78/428307878.db2.gz SEYPHVAIDFUXPP-UHFFFAOYSA-N 2 0 321.431 2.725 20 0 DFADRP [NH3+][C@H](CC(=O)N1CCC[C@@H]([NH+]2CCCCC2)C1)c1ccccc1 ZINC000370860670 428310803 /nfs/dbraw/zinc/31/08/03/428310803.db2.gz JNDCWAYUXJEHPT-QZTJIDSGSA-N 2 0 315.461 2.553 20 0 DFADRP COC(=O)[C@@]12C[N@H+](CC[C@H]3CCCC[NH+]3C)C[C@@H]1CCCC2 ZINC000342135956 428316492 /nfs/dbraw/zinc/31/64/92/428316492.db2.gz UPPDMQTYMBXNQI-JZXOWHBKSA-N 2 0 308.466 2.526 20 0 DFADRP Cc1nc(C)c(C)c(NC[C@H]2CC[N@@H+](C)[C@H]2c2cccs2)n1 ZINC000378157843 428320634 /nfs/dbraw/zinc/32/06/34/428320634.db2.gz IUEHXLBNXGZNKL-GDBMZVCRSA-N 2 0 316.474 3.568 20 0 DFADRP CCC(C)(C)[NH2+][C@@H](C)C(=O)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000356821711 428325262 /nfs/dbraw/zinc/32/52/62/428325262.db2.gz KVQUIMNDJYMCJA-HOTGVXAUSA-N 2 0 309.498 2.630 20 0 DFADRP COC[C@H]([NH2+][C@@H]1CCN(Cc2cnc(C)s2)C[C@H]1C)C1CC1 ZINC000378181713 428328780 /nfs/dbraw/zinc/32/87/80/428328780.db2.gz BUMRZVIMYJOPPI-JLZZUVOBSA-N 2 0 323.506 2.677 20 0 DFADRP CC[NH+](CC)CCN(Cc1ccccc1)C[C@H]1CCC[NH2+]C1 ZINC000346819079 428329917 /nfs/dbraw/zinc/32/99/17/428329917.db2.gz DSHXBNBRSWQZFS-IBGZPJMESA-N 2 0 303.494 2.830 20 0 DFADRP CCOc1ccc(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)cc1OC ZINC000346824912 428331852 /nfs/dbraw/zinc/33/18/52/428331852.db2.gz CZBINFMAGZLQIT-ARFHVFGLSA-N 2 0 304.434 2.653 20 0 DFADRP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+]C(C)(C)COC(C)C ZINC000414545033 428334241 /nfs/dbraw/zinc/33/42/41/428334241.db2.gz FHTQQJHACZAZOA-UHFFFAOYSA-N 2 0 302.422 2.869 20 0 DFADRP [NH3+][C@@H]1CC[C@H]2C[N@H+](Cc3c[nH]nc3-c3ccc(Cl)cc3)C[C@@H]12 ZINC000346827544 428335298 /nfs/dbraw/zinc/33/52/98/428335298.db2.gz SOAKCJRQDCHAEZ-APHBMKBZSA-N 2 0 316.836 2.899 20 0 DFADRP CC(C)n1ncc2cc(C[N@@H+]3C[C@@H]4CCC[C@H]([NH3+])[C@H]4C3)cnc21 ZINC000346829892 428335325 /nfs/dbraw/zinc/33/53/25/428335325.db2.gz OJQYUUCAKDFRKU-XIRDDKMYSA-N 2 0 313.449 2.571 20 0 DFADRP CC[N@@H+]1CC[C@@H](NCC(C)(C)C[NH+](C)Cc2ccccc2)C1 ZINC000414548646 428335445 /nfs/dbraw/zinc/33/54/45/428335445.db2.gz YBHFXHOHGUQTFF-GOSISDBHSA-N 2 0 303.494 2.828 20 0 DFADRP C[N@@H+]1CCCC[C@@H]1CC[NH+]1CCC(C(=O)N2CCCCC2)CC1 ZINC000356840250 428335770 /nfs/dbraw/zinc/33/57/70/428335770.db2.gz DNUHQVSLPPHHOA-GOSISDBHSA-N 2 0 321.509 2.585 20 0 DFADRP c1ccc(C[N@H+](CC2CCOCC2)C[C@H]2CCC[NH2+]C2)cc1 ZINC000346838895 428340520 /nfs/dbraw/zinc/34/05/20/428340520.db2.gz RXASOEPLMSJNGN-IBGZPJMESA-N 2 0 302.462 2.915 20 0 DFADRP Cc1ncc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)n1-c1ccccc1 ZINC000346844863 428341797 /nfs/dbraw/zinc/34/17/97/428341797.db2.gz LZZSBAOBNSTRBM-SNRMKQJTSA-N 2 0 310.445 2.740 20 0 DFADRP CC(C)[C@H](CO)[NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]12 ZINC000356872853 428342599 /nfs/dbraw/zinc/34/25/99/428342599.db2.gz PNAPAPPLOAJKHT-HCXYKTFWSA-N 2 0 302.462 2.504 20 0 DFADRP CCc1cccnc1[C@H](C)[NH2+]CCCCN1CC[NH+](CC)CC1 ZINC000356882908 428348201 /nfs/dbraw/zinc/34/82/01/428348201.db2.gz VSHWXYRICWQOAF-KRWDZBQOSA-N 2 0 318.509 2.712 20 0 DFADRP Cc1cc(CN2CC[C@H]3C[NH2+]C[C@@H]3C2)sc1Br ZINC000357107771 428389359 /nfs/dbraw/zinc/38/93/59/428389359.db2.gz TVPUJYNBDAABNX-WDEREUQCSA-N 2 0 315.280 2.860 20 0 DFADRP CCN(CCC[NH3+])CC(=O)Nc1c(Cl)cccc1Cl ZINC000414742815 428391032 /nfs/dbraw/zinc/39/10/32/428391032.db2.gz UIVQHOPJQMYXLU-UHFFFAOYSA-N 2 0 304.221 2.603 20 0 DFADRP COc1cc(C[N@H+](C[C@H]2CC[NH2+][C@@H](C)C2)C2CC2)ccc1O ZINC000414747721 428392382 /nfs/dbraw/zinc/39/23/82/428392382.db2.gz MXPPKNLJXLTRMT-ZFWWWQNUSA-N 2 0 304.434 2.753 20 0 DFADRP COc1cc(C[N@H+](C[C@@H]2CC[NH2+][C@@H](C)C2)C2CC2)ccc1O ZINC000414747714 428392703 /nfs/dbraw/zinc/39/27/03/428392703.db2.gz MXPPKNLJXLTRMT-DZGCQCFKSA-N 2 0 304.434 2.753 20 0 DFADRP [NH3+]CCC[NH+]1CCC(Oc2cccc(Br)c2)CC1 ZINC000414757213 428394957 /nfs/dbraw/zinc/39/49/57/428394957.db2.gz SGVZVZQFKWQQTH-UHFFFAOYSA-N 2 0 313.239 2.641 20 0 DFADRP C[C@@H](c1ccc(F)cc1)[N@@H+]1CCC[C@H](CN2CC[NH+](C)CC2)C1 ZINC000378436608 428395170 /nfs/dbraw/zinc/39/51/70/428395170.db2.gz QOKZQWSJEJTXHS-DLBZAZTESA-N 2 0 319.468 2.846 20 0 DFADRP C[C@@H](c1cccc(F)c1)[N@@H+]1CCC[C@@H](CN2CC[NH+](C)CC2)C1 ZINC000378430044 428395956 /nfs/dbraw/zinc/39/59/56/428395956.db2.gz BMDGUKFQFKRVPR-IRXDYDNUSA-N 2 0 319.468 2.846 20 0 DFADRP Cc1cccc(-c2n[nH]cc2C[N@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)c1 ZINC000414771253 428397048 /nfs/dbraw/zinc/39/70/48/428397048.db2.gz QSFIOTGOXUQZOI-CALCHBBNSA-N 2 0 310.445 2.817 20 0 DFADRP Cn1cc(C[N@@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)c(-c2ccccc2)n1 ZINC000414771996 428401473 /nfs/dbraw/zinc/40/14/73/428401473.db2.gz BBAPZCPETCCPNP-ROUUACIJSA-N 2 0 324.472 2.909 20 0 DFADRP O[C@@H]1C[NH2+]C[C@H]1C[NH2+]Cc1ccc(-c2cccc(Cl)c2)s1 ZINC000414775221 428401687 /nfs/dbraw/zinc/40/16/87/428401687.db2.gz BPOKHAYUGFIUJZ-IUODEOHRSA-N 2 0 322.861 2.738 20 0 DFADRP COc1ccc2oc(C[N@H+]3CC[C@H]4C[NH2+]C[C@H]4CC3)cc2c1 ZINC000414772609 428402009 /nfs/dbraw/zinc/40/20/09/428402009.db2.gz UXJXQGUULCHLOA-OKILXGFUSA-N 2 0 300.402 2.873 20 0 DFADRP Cc1nn(-c2ccccc2)cc1C[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000414774638 428402252 /nfs/dbraw/zinc/40/22/52/428402252.db2.gz YQSVBOFNPBYFHH-CALCHBBNSA-N 2 0 310.445 2.612 20 0 DFADRP c1csc(-c2n[nH]cc2C[N@@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)c1 ZINC000414772176 428402286 /nfs/dbraw/zinc/40/22/86/428402286.db2.gz BGPSAIZRJGXCSZ-KBPBESRZSA-N 2 0 316.474 2.960 20 0 DFADRP Clc1ccc2nc(C[N@@H+]3CCC[C@@H]([C@H]4CC[NH2+]C4)C3)cn2c1 ZINC000414780370 428403120 /nfs/dbraw/zinc/40/31/20/428403120.db2.gz LKLNUTKXLQLKGE-UONOGXRCSA-N 2 0 318.852 2.809 20 0 DFADRP c1cn(-c2ccc(C[N@@H+]3CCC[C@H]([C@@H]4CC[NH2+]C4)C3)cc2)cn1 ZINC000414775728 428404143 /nfs/dbraw/zinc/40/41/43/428404143.db2.gz GNJODKHCVHQSNP-MSOLQXFVSA-N 2 0 310.445 2.694 20 0 DFADRP Cc1cc(C[N@@H+]2C[C@H](C[NH3+])C3(C2)CCOCC3)ccc1Cl ZINC000414777973 428405607 /nfs/dbraw/zinc/40/56/07/428405607.db2.gz ISQRVABTPZAQEA-HNNXBMFYSA-N 2 0 308.853 2.836 20 0 DFADRP c1cc(N2CCCC2)ncc1C[N@@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000414785723 428406308 /nfs/dbraw/zinc/40/63/08/428406308.db2.gz TUTJEAGZCHCDRS-MSOLQXFVSA-N 2 0 314.477 2.503 20 0 DFADRP CC(C)c1ccc(C[N@@H+]2C[C@H](C[NH3+])C3(C2)CCOCC3)cc1 ZINC000414785202 428406660 /nfs/dbraw/zinc/40/66/60/428406660.db2.gz JIYFRJPXPBUOGN-SFHVURJKSA-N 2 0 302.462 2.997 20 0 DFADRP COc1cc(C[N@@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)cc(OC)c1 ZINC000414781832 428406746 /nfs/dbraw/zinc/40/67/46/428406746.db2.gz NLSRLTDPZAOQRB-HZPDHXFCSA-N 2 0 304.434 2.525 20 0 DFADRP C[C@H](Cc1ccccc1)C[N@@H+]1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000414785429 428407268 /nfs/dbraw/zinc/40/72/68/428407268.db2.gz SRCYOHSVIBSTEQ-AEFFLSMTSA-N 2 0 302.462 2.553 20 0 DFADRP COC(=O)C[C@@](C)(NCC[C@H]1CCC[N@@H+]1C)c1cccc(F)c1 ZINC000353152526 428407180 /nfs/dbraw/zinc/40/71/80/428407180.db2.gz XFNMDICJPZKIPO-SJLPKXTDSA-N 2 0 322.424 2.678 20 0 DFADRP CCOc1c(Cl)cc(C[NH2+][C@H]2CCC[C@H]2C[NH3+])cc1OC ZINC000414789861 428409359 /nfs/dbraw/zinc/40/93/59/428409359.db2.gz FXKYUABOJBKFJS-JSGCOSHPSA-N 2 0 312.841 2.964 20 0 DFADRP c1cc(C[N@@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)c2c(c1)OCCCO2 ZINC000414787195 428410079 /nfs/dbraw/zinc/41/00/79/428410079.db2.gz VIQBMQMDLXXSDA-HOTGVXAUSA-N 2 0 316.445 2.669 20 0 DFADRP CCCOc1cccc(C[NH+]2CCC([C@@H]3OCC[C@H]3[NH3+])CC2)c1 ZINC000414789826 428410748 /nfs/dbraw/zinc/41/07/48/428410748.db2.gz ORZRRDZIHFSOQR-MOPGFXCFSA-N 2 0 318.461 2.804 20 0 DFADRP c1cc(CCC[N@@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)cc2c1OCC2 ZINC000414787653 428411334 /nfs/dbraw/zinc/41/13/34/428411334.db2.gz VSAJTOPWCNABCU-RBUKOAKNSA-N 2 0 314.473 2.876 20 0 DFADRP CC(C)[C@H]([NH3+])C[NH2+]C1CCN(C(=O)c2ccccc2Cl)CC1 ZINC000414795175 428412428 /nfs/dbraw/zinc/41/24/28/428412428.db2.gz MUATWNPSCUDFEP-MRXNPFEDSA-N 2 0 323.868 2.518 20 0 DFADRP C[N@@H+](Cc1ccccc1)CC1CC[NH+](CC2(O)CCC2)CC1 ZINC000342235545 428363051 /nfs/dbraw/zinc/36/30/51/428363051.db2.gz RRPBXYXXCGNWHO-UHFFFAOYSA-N 2 0 302.462 2.745 20 0 DFADRP CN(c1ccccc1C[NH2+][C@@H]1C[C@H]1C(F)F)C1CC[NH+](C)CC1 ZINC000342242724 428366096 /nfs/dbraw/zinc/36/60/96/428366096.db2.gz WKHBKFSVUMKAIF-HZPDHXFCSA-N 2 0 323.431 2.960 20 0 DFADRP C[C@@H]1C[C@@H]([NH2+]C[C@H]2CCOC[C@H]2C)CN1Cc1ccccc1 ZINC000353049453 428369003 /nfs/dbraw/zinc/36/90/03/428369003.db2.gz SSMKYDDRUMKXJH-PSBWJHGTSA-N 2 0 302.462 2.912 20 0 DFADRP CCC(C)(C)[NH2+][C@H](C)C(=O)N[C@H](C)C[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000347026993 428413512 /nfs/dbraw/zinc/41/35/12/428413512.db2.gz QNYPSZGVNZKXSZ-KLHDSHLOSA-N 2 0 311.514 2.636 20 0 DFADRP CC(C)C[C@@H]([NH3+])CN(C)[C@H](C)c1ccc(-n2cncn2)cc1 ZINC000414673096 428370058 /nfs/dbraw/zinc/37/00/58/428370058.db2.gz QFXKXEPMCDTBCO-GDBMZVCRSA-N 2 0 301.438 2.634 20 0 DFADRP C[C@@H](c1ccccc1Cl)[N@H+](C)C[C@@H]1CCCN(C(=O)C[NH3+])C1 ZINC000414669063 428370360 /nfs/dbraw/zinc/37/03/60/428370360.db2.gz BEMTXNBNZNYQFL-KBPBESRZSA-N 2 0 323.868 2.530 20 0 DFADRP FC(F)(F)c1cccnc1C[NH+]1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000357038990 428371999 /nfs/dbraw/zinc/37/19/99/428371999.db2.gz AQXLWCUTYMAXCI-ZDUSSCGKSA-N 2 0 313.367 2.922 20 0 DFADRP Cc1cccc(NC(=O)C[N@@H+](C)C[C@H]2CC[NH2+][C@H](C)C2)c1C ZINC000414677037 428372029 /nfs/dbraw/zinc/37/20/29/428372029.db2.gz ODPSSLKIAYICIM-ZBFHGGJFSA-N 2 0 303.450 2.562 20 0 DFADRP CCOc1ccccc1N1CC[NH+](C[C@H]2CC[NH2+][C@H](C)C2)CC1 ZINC000414681816 428372253 /nfs/dbraw/zinc/37/22/53/428372253.db2.gz WRSKUIHVSQLGMC-SJORKVTESA-N 2 0 317.477 2.595 20 0 DFADRP CC[C@@H](c1ccccc1)[N@H+](CC)C[C@H]1CCCN(C(=O)C[NH3+])C1 ZINC000414681376 428372652 /nfs/dbraw/zinc/37/26/52/428372652.db2.gz VYHURAVXBKYJGP-AEFFLSMTSA-N 2 0 317.477 2.657 20 0 DFADRP COc1ccc(C[NH+]2CCC([C@H]3CC[NH2+]C3)CC2)cc1OC ZINC000357050390 428373311 /nfs/dbraw/zinc/37/33/11/428373311.db2.gz MLDOATJBXCGVDJ-INIZCTEOSA-N 2 0 304.434 2.525 20 0 DFADRP Cc1cccc(NC(=O)C[N@@H+](C)C[C@@H]2CC[NH2+][C@H](C)C2)c1C ZINC000414677031 428373777 /nfs/dbraw/zinc/37/37/77/428373777.db2.gz ODPSSLKIAYICIM-GDBMZVCRSA-N 2 0 303.450 2.562 20 0 DFADRP c1cc(N2CCCC2)ncc1C[NH+]1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000357049406 428373850 /nfs/dbraw/zinc/37/38/50/428373850.db2.gz KYHOSGZVUWVGJF-SFHVURJKSA-N 2 0 314.477 2.503 20 0 DFADRP COc1cc(C)c(C[NH+]2CCC([C@H]3CC[NH2+]C3)CC2)cc1OC ZINC000357050324 428374081 /nfs/dbraw/zinc/37/40/81/428374081.db2.gz MEUPZNRFCSAQID-INIZCTEOSA-N 2 0 318.461 2.834 20 0 DFADRP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]Cc1ccc(OCc2ccccn2)cc1 ZINC000414792571 428414540 /nfs/dbraw/zinc/41/45/40/428414540.db2.gz CJHRXBVRLDMIEV-LPHOPBHVSA-N 2 0 311.429 2.878 20 0 DFADRP CC[N@@H+](Cc1ccc(OC)c(OC)c1)C[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000414685146 428377535 /nfs/dbraw/zinc/37/75/35/428377535.db2.gz YEFHZCFRYKHPRR-GOEBONIOSA-N 2 0 306.450 2.914 20 0 DFADRP COCCOCC[N@@H+](Cc1ccccc1)C[C@H]1CC[NH2+][C@@H](C)C1 ZINC000414695920 428378621 /nfs/dbraw/zinc/37/86/21/428378621.db2.gz ADXNHKMIVYLYFM-HKUYNNGSSA-N 2 0 320.477 2.540 20 0 DFADRP CC[C@@H]1C[C@H](C)CC[C@H]1[NH2+][C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000371338104 428383595 /nfs/dbraw/zinc/38/35/95/428383595.db2.gz YOIURSVQTLQOSN-YWTNHNAXSA-N 2 0 307.526 2.959 20 0 DFADRP [NH3+]CC(=O)N1CCC[C@H](C[N@@H+]2CCCC3(C2)CCCCCC3)C1 ZINC000414712450 428383547 /nfs/dbraw/zinc/38/35/47/428383547.db2.gz UINWVHHMKDEZMP-QGZVFWFLSA-N 2 0 321.509 2.620 20 0 DFADRP C[C@@H]1C[C@H](CN(C)Cc2nc(C(F)(F)F)cs2)CC[NH2+]1 ZINC000414713715 428384335 /nfs/dbraw/zinc/38/43/35/428384335.db2.gz WQKCFPHJZGOUBZ-NXEZZACHSA-N 2 0 307.385 2.982 20 0 DFADRP COc1cc(C[NH2+][C@@H](C)[C@@H]2CCC[NH2+]C2)ccc1OC(F)F ZINC000414846234 428433653 /nfs/dbraw/zinc/43/36/53/428433653.db2.gz DVDIESSDBMYAQA-WCQYABFASA-N 2 0 314.376 2.774 20 0 DFADRP COc1ccc(C[C@H](C)C[NH2+][C@H](C)[C@@H]2CCC[NH2+]C2)cc1F ZINC000414860842 428435032 /nfs/dbraw/zinc/43/50/32/428435032.db2.gz VZSKIZJCXXDCHX-SQWLQELKSA-N 2 0 308.441 2.991 20 0 DFADRP C[NH2+]CCC[NH2+]Cc1cn(C2CCCC2)nc1-c1ccccn1 ZINC000414858279 428435945 /nfs/dbraw/zinc/43/59/45/428435945.db2.gz IRYAYDSNTXFZHJ-UHFFFAOYSA-N 2 0 313.449 2.759 20 0 DFADRP C[C@H]([NH2+]C1CCN(Cc2ccccc2)CC1)[C@@H]1CCC[NH2+]C1 ZINC000414856555 428436017 /nfs/dbraw/zinc/43/60/17/428436017.db2.gz OIPOESIZPNZHGQ-FUHWJXTLSA-N 2 0 301.478 2.629 20 0 DFADRP COCC[NH2+]CCNCc1cccc(Oc2ccccc2)c1 ZINC000414867231 428438468 /nfs/dbraw/zinc/43/84/68/428438468.db2.gz CFZDNBXZNAKPLV-UHFFFAOYSA-N 2 0 300.402 2.805 20 0 DFADRP C[C@H](C[NH3+])C[NH2+]Cc1ccc(-n2ccc(C(F)(F)F)n2)cc1 ZINC000414870201 428439396 /nfs/dbraw/zinc/43/93/96/428439396.db2.gz BNCFJFZYRAEIKR-LLVKDONJSA-N 2 0 312.339 2.576 20 0 DFADRP CCOC(=O)[C@H](CC(C)C)N1CC[C@H](Oc2ccncc2)C1 ZINC000347088799 428439668 /nfs/dbraw/zinc/43/96/68/428439668.db2.gz NHMFEAJLZFWLFD-HOTGVXAUSA-N 2 0 306.406 2.513 20 0 DFADRP [NH3+]C1(CNC2CC[NH+](Cc3ccc(Cl)cc3)CC2)CCC1 ZINC000414872926 428440582 /nfs/dbraw/zinc/44/05/82/428440582.db2.gz GOCAQGYTUPXATO-UHFFFAOYSA-N 2 0 307.869 2.775 20 0 DFADRP Cc1ccc(OCc2nc(CNC[C@@H](C)C[NH3+])cs2)cc1 ZINC000414872942 428441739 /nfs/dbraw/zinc/44/17/39/428441739.db2.gz GSDOALSCZFMRDG-ZDUSSCGKSA-N 2 0 305.447 2.715 20 0 DFADRP C[C@H]1CN(Cc2ccccc2)C[C@H]1[NH2+]CCOC(F)(F)F ZINC000353237809 428443164 /nfs/dbraw/zinc/44/31/64/428443164.db2.gz OCSGOIRLDAOJAE-GXTWGEPZSA-N 2 0 302.340 2.633 20 0 DFADRP CC[N@@H+]1CC[C@H](CN[C@H](C)[C@@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC000357225746 428444525 /nfs/dbraw/zinc/44/45/25/428444525.db2.gz BLKSBECMQJIWDK-MISYRCLQSA-N 2 0 315.505 2.828 20 0 DFADRP CSC[C@H](CCO)[NH2+][C@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000357232343 428445883 /nfs/dbraw/zinc/44/58/83/428445883.db2.gz NTBKFALWPOROAK-NXHRZFHOSA-N 2 0 322.518 2.601 20 0 DFADRP CCOc1cc(C[NH2+]C[C@H](C)C[NH3+])ccc1OCC(F)(F)F ZINC000414886437 428446505 /nfs/dbraw/zinc/44/65/05/428446505.db2.gz YEPIGQVWQISJBB-LLVKDONJSA-N 2 0 320.355 2.711 20 0 DFADRP COc1cc(Br)ccc1CN1CCC[C@H](C[NH3+])C1 ZINC000347105752 428447410 /nfs/dbraw/zinc/44/74/10/428447410.db2.gz NEHZGEUEKWAKCB-LLVKDONJSA-N 2 0 313.239 2.628 20 0 DFADRP C[C@@H](c1ccccc1)N1CC[C@H]([NH2+]CC2(C)CC[NH2+]CC2)C1 ZINC000414896627 428450149 /nfs/dbraw/zinc/45/01/49/428450149.db2.gz CIXTVKLBNSSTAS-WMZOPIPTSA-N 2 0 301.478 2.801 20 0 DFADRP COCCCOc1cccc(C[NH2+]C[C@@]2(C)CCC[NH2+]C2)c1 ZINC000414896243 428450542 /nfs/dbraw/zinc/45/05/42/428450542.db2.gz BEPVBKIQWKYBAA-SFHVURJKSA-N 2 0 306.450 2.581 20 0 DFADRP CCOc1cc(C[NH2+]C[C@H]2CC[NH2+]C2)ccc1OCC(C)C ZINC000414900668 428450618 /nfs/dbraw/zinc/45/06/18/428450618.db2.gz FCLMPHXCQPNQGB-INIZCTEOSA-N 2 0 306.450 2.819 20 0 DFADRP CC(C)c1ccc(NC(=O)C[C@H](C)[NH2+]C[C@H]2CC[NH2+]C2)cc1 ZINC000414902849 428451865 /nfs/dbraw/zinc/45/18/65/428451865.db2.gz HTENBXDRVQCEDG-GJZGRUSLSA-N 2 0 303.450 2.726 20 0 DFADRP C[C@@H]1C[C@H](NC(=O)CCC(C)(C)[NH3+])CC[N@@H+]1Cc1ccccc1 ZINC000379664607 428452134 /nfs/dbraw/zinc/45/21/34/428452134.db2.gz PTGUJFCJMHHHIA-NVXWUHKLSA-N 2 0 317.477 2.673 20 0 DFADRP c1ccc(C[N@H+]2C[C@@H]3CC[C@H](NCC[C@H]4CCC[NH2+]4)[C@H]3C2)cc1 ZINC000414902457 428452920 /nfs/dbraw/zinc/45/29/20/428452920.db2.gz IDAWQYYWNLUFKO-YRPNKDGESA-N 2 0 313.489 2.629 20 0 DFADRP C[NH2+]CC1CC[NH+](Cc2cccc(OCCCOC)c2)CC1 ZINC000347116668 428454372 /nfs/dbraw/zinc/45/43/72/428454372.db2.gz WIRVOLPUHPHSKV-UHFFFAOYSA-N 2 0 306.450 2.533 20 0 DFADRP [NH3+]CCN(CCO)Cc1ccc(Oc2cc(F)cc(F)c2)cc1 ZINC000414913147 428454368 /nfs/dbraw/zinc/45/43/68/428454368.db2.gz LSVYIJWQHBIHGM-UHFFFAOYSA-N 2 0 322.355 2.510 20 0 DFADRP CCOc1ccc(C[NH2+]CC2(C)CC[NH2+]CC2)cc1OCC ZINC000414909269 428454465 /nfs/dbraw/zinc/45/44/65/428454465.db2.gz RJSVWLUBTYJNGE-UHFFFAOYSA-N 2 0 306.450 2.963 20 0 DFADRP COc1ccc(-c2n[nH]cc2C[NH2+]C[C@]2(C)CCC[NH2+]C2)cc1 ZINC000414913828 428454989 /nfs/dbraw/zinc/45/49/89/428454989.db2.gz WZRJHLKUUQSVRB-GOSISDBHSA-N 2 0 314.433 2.565 20 0 DFADRP CC[C@H](Cn1cncn1)[NH2+][C@H]1CCCC[C@@H]1C[NH+](CC)CC ZINC000353258823 428456389 /nfs/dbraw/zinc/45/63/89/428456389.db2.gz RSMGRLUSCROKFJ-ZACQAIPSSA-N 2 0 307.486 2.547 20 0 DFADRP Cc1ccc(NC(=O)C[C@H](C)[NH2+]C[C@@]2(C)CCC[NH2+]C2)c(C)c1 ZINC000414920514 428456619 /nfs/dbraw/zinc/45/66/19/428456619.db2.gz ZOKXWMXFSKIXNV-LPHOPBHVSA-N 2 0 317.477 3.000 20 0 DFADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)[C@H]1CC12CCCCC2 ZINC000357257930 428458139 /nfs/dbraw/zinc/45/81/39/428458139.db2.gz UDHBAQBKNMADMK-QGZVFWFLSA-N 2 0 323.525 2.689 20 0 DFADRP Cc1cnc(CN2CCC[N@@H+](Cc3ccccc3)C[C@H]2C)n1C ZINC000342790844 428458830 /nfs/dbraw/zinc/45/88/30/428458830.db2.gz NEHRFCZSGFVQGN-QGZVFWFLSA-N 2 0 312.461 2.825 20 0 DFADRP CC(C)[N@H+](C)C[C@@H](O)C[NH+](Cc1ccccc1)[C@@H](C)C1CC1 ZINC000385379660 428460185 /nfs/dbraw/zinc/46/01/85/428460185.db2.gz ZCMHYYPRHSNSBS-QFBILLFUSA-N 2 0 304.478 2.988 20 0 DFADRP COc1ccc(OCC[N@@H+]2CCC[C@H]([C@H]3CCC[NH2+]3)C2)cc1 ZINC000386779045 428461682 /nfs/dbraw/zinc/46/16/82/428461682.db2.gz JCAXDUCHBRXUNA-MAUKXSAKSA-N 2 0 304.434 2.538 20 0 DFADRP C[C@H]1[NH2+]CCC[C@@H]1NCC(C)(C)C[N@H+](C)Cc1ccccc1 ZINC000414953962 428470880 /nfs/dbraw/zinc/47/08/80/428470880.db2.gz MIDJBILHVNLGJD-AEFFLSMTSA-N 2 0 303.494 2.875 20 0 DFADRP C[C@H]([NH3+])[C@@H]1CCC[N@H+](Cc2cnc(-c3ccncc3)s2)C1 ZINC000347035447 428415583 /nfs/dbraw/zinc/41/55/83/428415583.db2.gz GTNPVIQKVMFELB-GXTWGEPZSA-N 2 0 302.447 2.764 20 0 DFADRP CCOc1cc(C[NH2+][C@H]2CCC[C@H]2C[NH3+])cc(Cl)c1OC ZINC000414801799 428415663 /nfs/dbraw/zinc/41/56/63/428415663.db2.gz UVKGALCMBWHYGJ-JSGCOSHPSA-N 2 0 312.841 2.964 20 0 DFADRP C[C@H]([NH3+])[C@H]1CCC[N@H+](Cc2cnc(-c3ccncc3)s2)C1 ZINC000347035451 428416272 /nfs/dbraw/zinc/41/62/72/428416272.db2.gz GTNPVIQKVMFELB-JSGCOSHPSA-N 2 0 302.447 2.764 20 0 DFADRP c1cc(OC[C@@H]2CCCO2)ccc1C[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000414812262 428417821 /nfs/dbraw/zinc/41/78/21/428417821.db2.gz KPOSKXPJMGABKB-RZRMAFQFSA-N 2 0 316.445 2.617 20 0 DFADRP CC(C)n1ncc2cc(C[NH2+][C@H]3CCCC[C@@H]3C[NH3+])cnc21 ZINC000414809822 428418226 /nfs/dbraw/zinc/41/82/26/428418226.db2.gz UOFRIAYZJUIPKP-ZBFHGGJFSA-N 2 0 301.438 2.619 20 0 DFADRP COc1cc(C[NH2+][C@@H]2CCCC[C@H]2C[NH3+])ccc1OC(F)F ZINC000414814173 428421104 /nfs/dbraw/zinc/42/11/04/428421104.db2.gz ZBKWFCXIZVTWKV-QWHCGFSZSA-N 2 0 314.376 2.904 20 0 DFADRP C[C@@H]([NH3+])c1ccc(C[NH2+]C2CCN(Cc3ccncc3)CC2)cc1 ZINC000414813989 428422847 /nfs/dbraw/zinc/42/28/47/428422847.db2.gz UYISAHWWEXSIAC-MRXNPFEDSA-N 2 0 324.472 2.856 20 0 DFADRP CCC(C)(C)[NH2+][C@H](C)C(=O)NC[C@H](c1ccc(C)cc1)[NH+](C)C ZINC000347049359 428424337 /nfs/dbraw/zinc/42/43/37/428424337.db2.gz WMJYZRVHBFEGPK-NVXWUHKLSA-N 2 0 319.493 2.881 20 0 DFADRP COc1ccc(C[NH2+]C[C@@H]2CCC[NH2+]C2)cc1OCC(C)C ZINC000414821692 428424959 /nfs/dbraw/zinc/42/49/59/428424959.db2.gz BOONTLFRVMHJDX-MRXNPFEDSA-N 2 0 306.450 2.819 20 0 DFADRP C[C@H](CCc1ccc2c(c1)OCO2)[NH2+][C@H](C)[C@H]1CCC[NH2+]C1 ZINC000414825145 428425048 /nfs/dbraw/zinc/42/50/48/428425048.db2.gz SBCOLSFKDOFBSG-FMKPAKJESA-N 2 0 304.434 2.714 20 0 DFADRP CSC1(C[NH2+]Cc2ccc(NC(C)=O)cc2)CC[NH+](C)CC1 ZINC000353207489 428430724 /nfs/dbraw/zinc/43/07/24/428430724.db2.gz HOLLPBJPTNRBNG-UHFFFAOYSA-N 2 0 321.490 2.562 20 0 DFADRP Cc1ccc(NC(=O)C[C@@H](C)[NH2+]CC[C@H]2CC[NH2+]C2)c(C)c1 ZINC000414842198 428430967 /nfs/dbraw/zinc/43/09/67/428430967.db2.gz YSTBROPFKYYYPU-HZPDHXFCSA-N 2 0 303.450 2.610 20 0 DFADRP C[C@H]([NH2+]Cc1cnc(-c2ccccn2)s1)[C@H]1CCC[NH2+]C1 ZINC000414843963 428431208 /nfs/dbraw/zinc/43/12/08/428431208.db2.gz CEYBNFLRXBVSKE-STQMWFEESA-N 2 0 302.447 2.683 20 0 DFADRP C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1NCC1([NH3+])CCCCC1 ZINC000414837888 428431411 /nfs/dbraw/zinc/43/14/11/428431411.db2.gz HHNLLOBCATXBNO-FUHWJXTLSA-N 2 0 301.478 2.758 20 0 DFADRP COc1ccc(C[NH2+]CC[C@H]2CCC[NH2+]C2)c(Cl)c1OC ZINC000414846801 428431624 /nfs/dbraw/zinc/43/16/24/428431624.db2.gz HZVNDYDKAUFLMV-GFCCVEGCSA-N 2 0 312.841 2.837 20 0 DFADRP COc1ccc(C[C@H](C)[NH2+]CC[C@@H]2CCC[NH2+]C2)cc1OC ZINC000414850088 428431961 /nfs/dbraw/zinc/43/19/61/428431961.db2.gz YRKWTFODBIWPKW-GJZGRUSLSA-N 2 0 306.450 2.614 20 0 DFADRP C[N@@H+]1CCCC[C@@H]1CCC(=O)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000353431155 428530788 /nfs/dbraw/zinc/53/07/88/428530788.db2.gz LAFIGWROIASYMK-MSOLQXFVSA-N 2 0 321.509 2.728 20 0 DFADRP COc1cccc(NC(=O)C[C@@H](C)[NH2+]CCC[C@H]2CCC[NH2+]2)c1 ZINC000414980425 428479520 /nfs/dbraw/zinc/47/95/20/428479520.db2.gz WUTVVRYXBWCLSK-CABCVRRESA-N 2 0 319.449 2.534 20 0 DFADRP [NH3+][C@@H]1CCC[C@H](C[NH2+]Cc2cnc(-c3ccccn3)s2)C1 ZINC000414986291 428479652 /nfs/dbraw/zinc/47/96/52/428479652.db2.gz BWQPTUWBGGGJBI-QWHCGFSZSA-N 2 0 302.447 2.812 20 0 DFADRP CC[NH+](CC)CCCC1CCN(C(=O)C2CC[NH+](C)CC2)CC1 ZINC000360892055 428480682 /nfs/dbraw/zinc/48/06/82/428480682.db2.gz WOMRTEALGIKCAI-UHFFFAOYSA-N 2 0 323.525 2.689 20 0 DFADRP COCCCOc1cccc(C[NH2+]C[C@@H]2CCC[C@H]([NH3+])C2)c1 ZINC000414995132 428481880 /nfs/dbraw/zinc/48/18/80/428481880.db2.gz NBSXEVDDOSIOAD-WBVHZDCISA-N 2 0 306.450 2.709 20 0 DFADRP CC(C)CCC[C@@H](C)[NH2+]C[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000414990240 428481948 /nfs/dbraw/zinc/48/19/48/428481948.db2.gz RMSLASWXFIHREK-ZIAGYGMSSA-N 2 0 309.420 2.627 20 0 DFADRP C[N@H+]1CC=C(C[NH2+]Cc2cc(F)cc(Br)c2)CC1 ZINC000392763131 428482224 /nfs/dbraw/zinc/48/22/24/428482224.db2.gz DEQYWSBWYFYSQZ-UHFFFAOYSA-N 2 0 313.214 2.940 20 0 DFADRP C[C@@H](CCC1CCCC1)[NH2+]C[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000414995251 428482275 /nfs/dbraw/zinc/48/22/75/428482275.db2.gz VWUSLGJTBDKHGP-ZFWWWQNUSA-N 2 0 321.431 2.771 20 0 DFADRP CC(C)n1ncc2cc(C[NH2+]C[C@@H]3CCC[C@H]([NH3+])C3)cnc21 ZINC000414988292 428482493 /nfs/dbraw/zinc/48/24/93/428482493.db2.gz FMTVPPSKWLBEQJ-CJNGLKHVSA-N 2 0 301.438 2.619 20 0 DFADRP CC[C@H]([NH3+])C[NH2+][C@@H](C)Cc1ccc(Br)c(F)c1 ZINC000414996250 428482722 /nfs/dbraw/zinc/48/27/22/428482722.db2.gz XGVKHYUUHJILPG-ONGXEEELSA-N 2 0 303.219 2.846 20 0 DFADRP COc1ccc(NC(=O)C[C@H](C)[NH2+]C[C@@H]2CCC[C@H]([NH3+])C2)cc1 ZINC000414994378 428482918 /nfs/dbraw/zinc/48/29/18/428482918.db2.gz DIKSIEIDEOBRDQ-ZNMIVQPWSA-N 2 0 319.449 2.519 20 0 DFADRP [NH3+][C@@H]1CCC[C@H](C[NH2+]Cc2cc(O)ccc2Br)C1 ZINC000414991753 428483480 /nfs/dbraw/zinc/48/34/80/428483480.db2.gz JPRBVRPLTCQQEK-CMPLNLGQSA-N 2 0 313.239 2.762 20 0 DFADRP [NH3+][C@@H]1CCC[C@@H](C[NH2+]Cc2cccc(O)c2Br)C1 ZINC000415003529 428484351 /nfs/dbraw/zinc/48/43/51/428484351.db2.gz NFUGXXULMJGWSA-ZYHUDNBSSA-N 2 0 313.239 2.762 20 0 DFADRP [NH3+][C@H]1CCC[C@@H](C[NH2+]Cc2cnn(Cc3ccc(F)cc3)c2)C1 ZINC000414998524 428485870 /nfs/dbraw/zinc/48/58/70/428485870.db2.gz ICCKGDSMOOUTKT-QAPCUYQASA-N 2 0 316.424 2.678 20 0 DFADRP [NH3+][C@H]1CCC[C@H](C[NH2+]Cc2cnn(-c3ccc(F)cc3)c2)C1 ZINC000415004201 428486102 /nfs/dbraw/zinc/48/61/02/428486102.db2.gz XVDBIUPXXCPOEF-BBRMVZONSA-N 2 0 302.397 2.619 20 0 DFADRP [NH3+][C@@H]1CCC[C@@H](C[NH2+]Cc2cnn(-c3ccc(F)cc3)c2)C1 ZINC000415004203 428486276 /nfs/dbraw/zinc/48/62/76/428486276.db2.gz XVDBIUPXXCPOEF-CZUORRHYSA-N 2 0 302.397 2.619 20 0 DFADRP CSc1cc2c(cc1C[NH2+]C[C@@H]1CCC[C@H]([NH3+])C1)OCCO2 ZINC000415005073 428487529 /nfs/dbraw/zinc/48/75/29/428487529.db2.gz YVSBDSFEHHNZSA-OCCSQVGLSA-N 2 0 322.474 2.787 20 0 DFADRP [NH3+][C@@H]1CCC[C@@H](C[NH2+]Cc2cnc(-c3ccncc3)s2)C1 ZINC000415005527 428487643 /nfs/dbraw/zinc/48/76/43/428487643.db2.gz ZKDHNMOFVSEEFG-TZMCWYRMSA-N 2 0 302.447 2.812 20 0 DFADRP Brc1ccc(C[NH2+][C@@H]2C[C@H]2C2CC[NH2+]CC2)s1 ZINC000415013707 428488221 /nfs/dbraw/zinc/48/82/21/428488221.db2.gz VIOCBBIWTRYOAP-NWDGAFQWSA-N 2 0 315.280 2.988 20 0 DFADRP CC(C)N1CCc2nc(C[NH2+][C@@H](C)CCCC[NH3+])sc2C1 ZINC000415006840 428489202 /nfs/dbraw/zinc/48/92/02/428489202.db2.gz AMYYZPZFMNVFLE-ZDUSSCGKSA-N 2 0 310.511 2.517 20 0 DFADRP C[C@H]1CN(Cc2ccccc2)C[C@H]1[NH2+]C[C@H]1CC[C@H](C[NH3+])CC1 ZINC000415023711 428489973 /nfs/dbraw/zinc/48/99/73/428489973.db2.gz LSSPFJXKYCLFMP-CGBFIWBNSA-N 2 0 315.505 2.862 20 0 DFADRP CCOC(=O)[C@@H]1CC[C@H]([NH2+]C[C@H]2CC[C@H](C[NH3+])CC2)C[C@H]1C ZINC000415018788 428490628 /nfs/dbraw/zinc/49/06/28/428490628.db2.gz CIQPYDYEPNKYDZ-OVYGPGRDSA-N 2 0 310.482 2.709 20 0 DFADRP CC(C)(CCC[NH3+])[NH2+]Cc1cc(O)ccc1Br ZINC000415021374 428491319 /nfs/dbraw/zinc/49/13/19/428491319.db2.gz YLDJYLJSCDCTGT-UHFFFAOYSA-N 2 0 301.228 2.762 20 0 DFADRP C[C@@H](CCc1ccc(Cl)s1)[NH2+]C[C@H]1C[NH2+]CCCO1 ZINC000415030431 428492356 /nfs/dbraw/zinc/49/23/56/428492356.db2.gz CKFNMTPUIXVOGC-NWDGAFQWSA-N 2 0 302.871 2.691 20 0 DFADRP [NH3+]C[C@@H]1CC[C@H]([NH2+]Cc2cc(Cl)c3c(c2)OCCCO3)C1 ZINC000415027592 428492741 /nfs/dbraw/zinc/49/27/41/428492741.db2.gz BEXFQQXOOIAKRM-YPMHNXCESA-N 2 0 310.825 2.718 20 0 DFADRP [NH3+]C[C@@H]1CC[C@@H]([NH2+]Cc2cc(F)ccc2Br)C1 ZINC000415037894 428494998 /nfs/dbraw/zinc/49/49/98/428494998.db2.gz MTRGKJUQEQTUGM-BXKDBHETSA-N 2 0 301.203 2.805 20 0 DFADRP [NH3+][C@@H]1CCO[C@H](C2CC[NH+](Cc3cc(F)cc(F)c3)CC2)C1 ZINC000415129936 428531161 /nfs/dbraw/zinc/53/11/61/428531161.db2.gz VQNHRTZSHANJRO-SJORKVTESA-N 2 0 310.388 2.683 20 0 DFADRP c1cnn(-c2ccc(C[N@@H+]3CCCC[C@@H]3[C@@H]3CC[NH2+]C3)cc2)c1 ZINC000415037625 428496222 /nfs/dbraw/zinc/49/62/22/428496222.db2.gz GWOYIIYFQSLYQP-IEBWSBKVSA-N 2 0 310.445 2.836 20 0 DFADRP COc1cc(Br)ccc1C[NH2+][C@@H]1CC[C@@H](C[NH3+])C1 ZINC000415036015 428496610 /nfs/dbraw/zinc/49/66/10/428496610.db2.gz KZXQWPKITMYUMF-ZWNOBZJWSA-N 2 0 313.239 2.675 20 0 DFADRP C[C@H](C[NH2+]C[C@@H]1C[NH2+]CCCO1)c1ccc(C(F)(F)F)cc1 ZINC000415047309 428498524 /nfs/dbraw/zinc/49/85/24/428498524.db2.gz WBFOIDMKKTUUNT-DOMZBBRYSA-N 2 0 316.367 2.777 20 0 DFADRP C[NH2+][C@H](CC(C)(C)C)C(=O)NCCC[N@H+](C)C1CCCCC1 ZINC000395711099 428499200 /nfs/dbraw/zinc/49/92/00/428499200.db2.gz PZWOCGQZIDQTIF-MRXNPFEDSA-N 2 0 311.514 2.781 20 0 DFADRP C[N@H+](C/C=C\c1ccc(Cl)cc1)C1CCN(CCO)CC1 ZINC000353359433 428500429 /nfs/dbraw/zinc/50/04/29/428500429.db2.gz ANYWYLQCAXXIMI-IHWYPQMZSA-N 2 0 308.853 2.742 20 0 DFADRP CCc1cccc(C[N@@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@H]32)c1 ZINC000372752712 428501494 /nfs/dbraw/zinc/50/14/94/428501494.db2.gz SRZQTUKCIZQGMV-IPMKNSEASA-N 2 0 302.462 2.933 20 0 DFADRP COc1cc(C)c(C[N@@H+]2CCCC[C@@H]2[C@H]2CC[NH2+]C2)cc1OC ZINC000415052254 428501430 /nfs/dbraw/zinc/50/14/30/428501430.db2.gz MZLMFEOIIJBLAL-DOTOQJQBSA-N 2 0 318.461 2.976 20 0 DFADRP C[C@@H]1[NH2+]CCC[C@@H]1N[C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]12 ZINC000396573873 428502127 /nfs/dbraw/zinc/50/21/27/428502127.db2.gz BOENFCLBRXKJDU-AXDKOMKPSA-N 2 0 313.489 2.627 20 0 DFADRP C[C@@H]1CN(C2CC[NH+]([C@@H]3CCC[C@H](C)C3)CC2)C[C@@]1(C)C[NH3+] ZINC000415058429 428503801 /nfs/dbraw/zinc/50/38/01/428503801.db2.gz ROOSJUHKRXCCRI-QFHJOOASSA-N 2 0 307.526 2.946 20 0 DFADRP Clc1sccc1C[NH2+]C1CCC(N2CC[NH2+]CC2)CC1 ZINC000415056301 428504102 /nfs/dbraw/zinc/50/41/02/428504102.db2.gz PVGHSHKZPNOARJ-UHFFFAOYSA-N 2 0 313.898 2.708 20 0 DFADRP [NH3+]CC[C@H]1CCCCN1C(=O)c1ccc(Nc2cc[nH+]cc2)cc1 ZINC000357377270 428506499 /nfs/dbraw/zinc/50/64/99/428506499.db2.gz PAIYBKDDXVQQKD-GOSISDBHSA-N 2 0 324.428 2.591 20 0 DFADRP C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](N2C[C@@H](C)[C@](C)(C[NH3+])C2)C1 ZINC000415059738 428507875 /nfs/dbraw/zinc/50/78/75/428507875.db2.gz YTKKBIKJGJTYNE-UKBAYJJMSA-N 2 0 301.478 2.739 20 0 DFADRP CCc1ccccc1NC(=O)C[C@H](C)[NH2+]CCC[NH2+]C1CC1 ZINC000415071316 428508947 /nfs/dbraw/zinc/50/89/47/428508947.db2.gz SMQXMLVTSVBUCZ-AWEZNQCLSA-N 2 0 303.450 2.698 20 0 DFADRP Fc1ccc(CC[NH+]2CCC(N[C@H]3CCCC[NH2+]C3)CC2)cc1 ZINC000415069887 428508994 /nfs/dbraw/zinc/50/89/94/428508994.db2.gz PKORZHJJUAJMFS-IBGZPJMESA-N 2 0 319.468 2.564 20 0 DFADRP [NH3+]CC1CCC([NH2+][C@H]2CCO[C@H]2c2ccc(F)c(F)c2)CC1 ZINC000415082252 428511849 /nfs/dbraw/zinc/51/18/49/428511849.db2.gz CXTNMZJVLQKEQB-NYENLMPPSA-N 2 0 310.388 2.902 20 0 DFADRP CC[C@H](C[N@@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1)OC ZINC000397498223 428511923 /nfs/dbraw/zinc/51/19/23/428511923.db2.gz DDZXDJOECFOJPN-GBESFXJTSA-N 2 0 302.462 2.865 20 0 DFADRP C[C@@H]1C[C@H](C[NH2+]Cc2cccnc2OCC(F)(F)F)CC[NH2+]1 ZINC000415081659 428512828 /nfs/dbraw/zinc/51/28/28/428512828.db2.gz KRGLULDSLBFUBF-VXGBXAGGSA-N 2 0 317.355 2.500 20 0 DFADRP C[C@H]([NH2+]Cc1ccc(OCC(F)(F)F)cc1)[C@@H]1CC[NH2+]C1 ZINC000415079691 428513501 /nfs/dbraw/zinc/51/35/01/428513501.db2.gz IHAXXJQIACGBRN-WCQYABFASA-N 2 0 302.340 2.715 20 0 DFADRP CC(C)[C@@H]([NH2+][C@H]1CCC[NH2+]CC1)c1ccc2c(c1)OCCO2 ZINC000415079422 428513706 /nfs/dbraw/zinc/51/37/06/428513706.db2.gz KCOZCWLHVDJNMQ-MAUKXSAKSA-N 2 0 304.434 2.887 20 0 DFADRP CC(C)C[C@H]([NH3+])C[NH2+]CC1CC[NH+](Cc2ccccc2)CC1 ZINC000415086105 428516504 /nfs/dbraw/zinc/51/65/04/428516504.db2.gz JESLGTFOBIAWFY-IBGZPJMESA-N 3 0 303.494 2.862 20 0 DFADRP C[C@@H]([NH2+]CCCC[N@@H+]1CCCC[C@@H]1C)C(C)(C)n1cncn1 ZINC000353388425 428517228 /nfs/dbraw/zinc/51/72/28/428517228.db2.gz PTFCLYGLOMMULH-JKSUJKDBSA-N 2 0 307.486 2.646 20 0 DFADRP COc1cc(F)c([C@H](C)[NH2+]C[C@H]2CC[NH2+][C@H](C)C2)cc1OC ZINC000415093266 428517894 /nfs/dbraw/zinc/51/78/94/428517894.db2.gz UYZCGKCRIVATJZ-AGIUHOORSA-N 2 0 310.413 2.882 20 0 DFADRP CCOc1ccccc1C[NH+]1CCC([C@H]2OCCC[C@H]2[NH3+])CC1 ZINC000415100478 428518774 /nfs/dbraw/zinc/51/87/74/428518774.db2.gz AKSUYLICRNFXEZ-IEBWSBKVSA-N 2 0 318.461 2.804 20 0 DFADRP CC(C)[C@H](CN(C)Cc1ccccc1)[NH2+][C@H]1CCC[NH2+]CC1 ZINC000398078305 428519169 /nfs/dbraw/zinc/51/91/69/428519169.db2.gz GDTVCJGKLXLZKT-OALUTQOASA-N 2 0 303.494 2.875 20 0 DFADRP C[N@@H+]1CCCC[C@@H]1CN1CC[NH+](CCCc2ccsc2)CC1 ZINC000360974098 428519457 /nfs/dbraw/zinc/51/94/57/428519457.db2.gz DFMUZYGYGHZZMY-GOSISDBHSA-N 2 0 321.534 2.783 20 0 DFADRP Cc1nn(-c2ccccc2)c(C)c1C[N@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000415100788 428519723 /nfs/dbraw/zinc/51/97/23/428519723.db2.gz ALCJSAKGDVJFFN-PBHICJAKSA-N 2 0 312.461 2.906 20 0 DFADRP Cc1cccc(C[NH+]2CCN(C[C@H]3CCCC[N@H+]3C)CC2)c1C ZINC000353404930 428522702 /nfs/dbraw/zinc/52/27/02/428522702.db2.gz NMTVZJKPZGDOCL-HXUWFJFHSA-N 2 0 315.505 2.905 20 0 DFADRP Cc1ccc(F)c(C[NH+]2CCC([C@H]3OCCC[C@H]3[NH3+])CC2)c1 ZINC000415114541 428524542 /nfs/dbraw/zinc/52/45/42/428524542.db2.gz VLJBFFMFAFGJLA-QZTJIDSGSA-N 2 0 306.425 2.852 20 0 DFADRP [NH3+]C[C@H]1CN(Cc2ccccc2OC2CCCC2)CCCO1 ZINC000415119675 428526299 /nfs/dbraw/zinc/52/62/99/428526299.db2.gz ZMCBLZBUAGKWIJ-KRWDZBQOSA-N 2 0 304.434 2.558 20 0 DFADRP COc1cc(CN2CC[C@H](C)[C@H](C[NH3+])C2)c(SC)cc1OC ZINC000415121963 428527676 /nfs/dbraw/zinc/52/76/76/428527676.db2.gz HWFPWWDPZPPKEU-GXTWGEPZSA-N 2 0 324.490 2.842 20 0 DFADRP [NH3+][C@@H]1CCO[C@H](C2CC[NH+](Cc3ccc(F)cc3F)CC2)C1 ZINC000415120312 428527950 /nfs/dbraw/zinc/52/79/50/428527950.db2.gz GLNIQNYZRVFRCP-WBVHZDCISA-N 2 0 310.388 2.683 20 0 DFADRP [NH3+][C@@H]1CCCO[C@@H]1C1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000415127475 428529400 /nfs/dbraw/zinc/52/94/00/428529400.db2.gz NGRIBSDABMVRMY-KDBJMCLYSA-N 2 0 300.446 2.918 20 0 DFADRP CCOc1ccccc1C[NH+]1CCC([C@@H]2C[C@@H]([NH3+])CCO2)CC1 ZINC000415121997 428530041 /nfs/dbraw/zinc/53/00/41/428530041.db2.gz JBGCYUSNIRUXAT-HKUYNNGSSA-N 2 0 318.461 2.804 20 0 DFADRP COc1cc(C[NH+]2CCC([C@@H]3C[C@@H]([NH3+])CCO3)CC2)ccc1C ZINC000415127254 428530092 /nfs/dbraw/zinc/53/00/92/428530092.db2.gz QQMNJLYCBQTTRX-HKUYNNGSSA-N 2 0 318.461 2.722 20 0 DFADRP [NH3+]Cc1cn([C@H]2CCC[N@H+](Cc3ccc(C(F)F)cc3)C2)nn1 ZINC000415126912 428530413 /nfs/dbraw/zinc/53/04/13/428530413.db2.gz MNMPWYIEHYHMDO-HNNXBMFYSA-N 2 0 321.375 2.512 20 0 DFADRP C[C@H]1C[C@@H]([NH2+]Cc2ccc(OCc3ccncc3)cc2)CC[NH2+]1 ZINC000414955085 428472171 /nfs/dbraw/zinc/47/21/71/428472171.db2.gz TZNPLTXJRYGCGL-YJBOKZPZSA-N 2 0 311.429 2.891 20 0 DFADRP C[C@@H]([NH2+]C[C@H](C)CN1CC[NH+](C)CC1)C1CCC(F)(F)CC1 ZINC000353294697 428473272 /nfs/dbraw/zinc/47/32/72/428473272.db2.gz VPGHLSGIWVMFQO-LSDHHAIUSA-N 2 0 317.468 2.674 20 0 DFADRP [NH3+]C[C@@H]1CCC[C@@H]1NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000390722032 428473604 /nfs/dbraw/zinc/47/36/04/428473604.db2.gz ZNCRZESJTLLCJC-BGVWBIDGSA-N 2 0 313.489 2.899 20 0 DFADRP c1nn(Cc2ccccc2)cc1C[NH2+][C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000390411845 428474154 /nfs/dbraw/zinc/47/41/54/428474154.db2.gz FHBMHVHUKISCKV-XUVXKRRUSA-N 2 0 324.472 2.942 20 0 DFADRP CC[NH2+][C@H](C)CNC1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000414964969 428474986 /nfs/dbraw/zinc/47/49/86/428474986.db2.gz VDDVUTVFJIKBQE-CQSZACIVSA-N 2 0 309.885 2.892 20 0 DFADRP COc1ccc(C[C@H](C)[NH2+]CCC[C@@H]2CCC[NH2+]2)cc1OC ZINC000414961604 428475627 /nfs/dbraw/zinc/47/56/27/428475627.db2.gz IVSDEQDLPTVBBC-GOEBONIOSA-N 2 0 306.450 2.757 20 0 DFADRP COCC1(C[NH2+][C@@H]2C[C@@H](c3ccccc3)[C@H]2C)CC[NH2+]CC1 ZINC000414976163 428476968 /nfs/dbraw/zinc/47/69/68/428476968.db2.gz OWSXAEYKGMNDNA-KBAYOESNSA-N 2 0 302.462 2.784 20 0 DFADRP CC(C)(C)C(=O)N1CCC([NH2+][C@@H]2C[C@H]([NH3+])c3ccccc32)CC1 ZINC000391143345 428477950 /nfs/dbraw/zinc/47/79/50/428477950.db2.gz SKOWZNSHJUXJQN-DLBZAZTESA-N 2 0 315.461 2.758 20 0 DFADRP FC(F)(F)COc1ccc(CN(C2CC2)[C@@H]2CC[NH2+]C2)cc1 ZINC000347168274 428478154 /nfs/dbraw/zinc/47/81/54/428478154.db2.gz MEPBQVTZMZOWMQ-CQSZACIVSA-N 2 0 314.351 2.954 20 0 DFADRP COc1cc(C[NH2+]CCC[C@@H]2CCC[NH2+]2)ccc1OC(F)F ZINC000414977267 428478390 /nfs/dbraw/zinc/47/83/90/428478390.db2.gz RAUCMKWOKWDCHQ-CYBMUJFWSA-N 2 0 314.376 2.918 20 0 DFADRP COCC1(C[NH2+]Cc2cc(F)cc(Cl)c2)CC[NH2+]CC1 ZINC000414973654 428478726 /nfs/dbraw/zinc/47/87/26/428478726.db2.gz LIBRWJVXZDXAMT-UHFFFAOYSA-N 2 0 300.805 2.585 20 0 DFADRP C[C@@H](CNC(=O)CC1(C[NH3+])CCCCC1)[N@@H+]1CCCC[C@H]1C ZINC000361612874 428581760 /nfs/dbraw/zinc/58/17/60/428581760.db2.gz XZUAIVVZESKPIZ-CVEARBPZSA-N 2 0 309.498 2.665 20 0 DFADRP COC1(C[N@H+](C)C[C@@H]2CCN(C)[C@@H]2c2cccnc2)CCCC1 ZINC000361610432 428582001 /nfs/dbraw/zinc/58/20/01/428582001.db2.gz MVJJTHYIEFJAEN-ZWKOTPCHSA-N 2 0 317.477 2.965 20 0 DFADRP C[NH+](C)CCOC1CC[NH+](C[C@H]2C[C@H]2c2ccccc2)CC1 ZINC000353545394 428587315 /nfs/dbraw/zinc/58/73/15/428587315.db2.gz DDQSNOUARKHTKK-MJGOQNOKSA-N 2 0 302.462 2.833 20 0 DFADRP C[N@@H+]1CC[C@H]([NH2+][C@@H]2CCN(Cc3ccccc3)C2)[C@H]2CCC[C@@H]21 ZINC000353432880 428534134 /nfs/dbraw/zinc/53/41/34/428534134.db2.gz DAUUGWIXTHOOLE-ZRNYENFQSA-N 2 0 313.489 2.723 20 0 DFADRP C[NH+](C)Cc1ccc(C[NH2+][C@@H]2CC[N@H+](C)[C@@H]3CCC[C@H]32)cc1 ZINC000353434986 428534598 /nfs/dbraw/zinc/53/45/98/428534598.db2.gz KRRYVAAVSDXTLZ-IPMKNSEASA-N 3 0 301.478 2.711 20 0 DFADRP Cc1ccc(C[N@H+]2CC[C@H](C)[C@@H](C[NH3+])C2)c(-c2cnn(C)c2)c1 ZINC000415136693 428534794 /nfs/dbraw/zinc/53/47/94/428534794.db2.gz XOKDXIMLMLJIDM-RDJZCZTQSA-N 2 0 312.461 2.812 20 0 DFADRP C[C@@H]1CC[C@H](N[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)C[NH2+]1 ZINC000399115715 428535802 /nfs/dbraw/zinc/53/58/02/428535802.db2.gz FWTQJHOOSFBEIN-FPAYPSAMSA-N 2 0 301.478 2.627 20 0 DFADRP CC[C@H](C[N@@H+]1CC2(CC[NH2+]CC2)[C@@H]2COC[C@@H]21)c1ccccc1 ZINC000415143884 428536660 /nfs/dbraw/zinc/53/66/60/428536660.db2.gz UFTPBGLOIBWHAK-QRQLOZEOSA-N 2 0 314.473 2.881 20 0 DFADRP CC(C)[C@H](C(=O)NC[C@@H](c1ccccc1)[NH+]1CCCC1)[C@H](C)[NH3+] ZINC000399390333 428539615 /nfs/dbraw/zinc/53/96/15/428539615.db2.gz RZZSZPYBQUPREV-SZMVWBNQSA-N 2 0 317.477 2.559 20 0 DFADRP CC[NH+](CC)Cc1ccccc1CNC(=O)[C@@H](C(C)C)[C@H](C)[NH3+] ZINC000399399751 428539837 /nfs/dbraw/zinc/53/98/37/428539837.db2.gz WAOCEKWPQMTYHE-YJBOKZPZSA-N 2 0 319.493 2.764 20 0 DFADRP CO[C@H](C[N@@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C1)C1CC1 ZINC000400156957 428543878 /nfs/dbraw/zinc/54/38/78/428543878.db2.gz FARAHDGFQSSZAQ-XUVXKRRUSA-N 2 0 314.473 2.865 20 0 DFADRP C[C@@H](NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)[C@H]1CC[NH2+]C1 ZINC000400478460 428547099 /nfs/dbraw/zinc/54/70/99/428547099.db2.gz VQDVMDHKUPBIGC-XAOHYQHJSA-N 2 0 313.489 2.770 20 0 DFADRP C[C@H](NC[C@@H]1CCCC[N@H+](Cc2ccccc2)C1)[C@H]1CC[NH2+]C1 ZINC000400734674 428548080 /nfs/dbraw/zinc/54/80/80/428548080.db2.gz JRKQJLPUCCPSPD-IHPCNDPISA-N 2 0 315.505 2.876 20 0 DFADRP C[N@H+](C[C@H]1CCSC1)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000373330230 428549659 /nfs/dbraw/zinc/54/96/59/428549659.db2.gz CWOIZPOUZMKFRH-MRXNPFEDSA-N 2 0 305.491 2.983 20 0 DFADRP C[C@H](CC[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1)[N@H+](C)Cc1ccccc1 ZINC000401004064 428550113 /nfs/dbraw/zinc/55/01/13/428550113.db2.gz ASJKKUQBLBUIDO-BTHPGYMESA-N 2 0 315.505 2.875 20 0 DFADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCN[C@@H]2CC[NH+](C)[C@H]3CCC[C@H]32)C1 ZINC000353465347 428551349 /nfs/dbraw/zinc/55/13/49/428551349.db2.gz SRQAWCXYPUCVRJ-APAFKAMOSA-N 2 0 307.526 2.817 20 0 DFADRP CC(C)[NH+](C/C=C\C[N@@H+](C(C)C)[C@H]1CCOC1)[C@@H]1CCOC1 ZINC000361409251 428564174 /nfs/dbraw/zinc/56/41/74/428564174.db2.gz UIQMLPWCKRSOLS-SPCWZHTESA-N 2 0 310.482 2.541 20 0 DFADRP C[C@@H]1[C@@H](C)[N@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)CCCC[NH3+] ZINC000404314473 428567321 /nfs/dbraw/zinc/56/73/21/428567321.db2.gz NIDKIBFBUZFMOJ-GVDBMIGSSA-N 2 0 317.477 2.625 20 0 DFADRP CC(C)CC[C@H]([NH2+][C@H](C)CN1CC[NH+](C)CC1)c1ccoc1 ZINC000353498680 428567248 /nfs/dbraw/zinc/56/72/48/428567248.db2.gz AXTLZRYUUJLILS-AEFFLSMTSA-N 2 0 307.482 2.982 20 0 DFADRP C[N@@H+]1CC[C@H]([NH2+]CCc2ccn(-c3ccccc3)n2)[C@H]2CCC[C@H]21 ZINC000353498747 428567503 /nfs/dbraw/zinc/56/75/03/428567503.db2.gz BLVMAXFSZVHFNQ-HSALFYBXSA-N 2 0 324.472 2.877 20 0 DFADRP CCN(C(=O)C[N@@H+]1CCC[C@H](C)[C@@H]1CC[NH3+])C1CCCCC1 ZINC000404371341 428569099 /nfs/dbraw/zinc/56/90/99/428569099.db2.gz QZSMXZPGERYQLI-RDJZCZTQSA-N 2 0 309.498 2.617 20 0 DFADRP C[N@@H+]1CC[C@H](N[C@@H]2CC[NH+](CC3CCCC3)C2)[C@@H]2CCC[C@@H]21 ZINC000353515264 428573230 /nfs/dbraw/zinc/57/32/30/428573230.db2.gz DGNLMMDKTKEXMB-XWSJACJDSA-N 2 0 305.510 2.713 20 0 DFADRP Cc1sccc1C[N@@H+]1CCN(C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000353520637 428574816 /nfs/dbraw/zinc/57/48/16/428574816.db2.gz OEAIKHCQRRBTDV-AWEZNQCLSA-N 2 0 307.507 2.657 20 0 DFADRP C[C@@H](CC1CCOCC1)[NH2+]CCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000358044251 428576434 /nfs/dbraw/zinc/57/64/34/428576434.db2.gz IFNCRWCMNSROTA-YESZJQIVSA-N 2 0 312.498 2.671 20 0 DFADRP CC[N@H+](C)[C@H](C(=O)NCCC[NH+]1CCCCC1)c1ccccc1 ZINC000343845840 428579526 /nfs/dbraw/zinc/57/95/26/428579526.db2.gz XRQKOOASWXMNRB-SFHVURJKSA-N 2 0 317.477 2.672 20 0 DFADRP CC1CC[NH+](CCCCNC(=O)c2ccc3c(c2)C[NH2+]C3)CC1 ZINC000347529957 428599488 /nfs/dbraw/zinc/59/94/88/428599488.db2.gz NPFKTXGJOBDQID-UHFFFAOYSA-N 2 0 315.461 2.532 20 0 DFADRP CCC1(C[NH2+]CCCC[NH+]2C[C@@H](C)O[C@H](C)C2)CCOCC1 ZINC000358482813 428603839 /nfs/dbraw/zinc/60/38/39/428603839.db2.gz LCTBYPGKPVOIHP-IAGOWNOFSA-N 2 0 312.498 2.672 20 0 DFADRP COc1ccc(CN(C)C[C@@H]2CCC[N@H+](C)C2)c(C)c1OC ZINC000347581785 428610895 /nfs/dbraw/zinc/61/08/95/428610895.db2.gz HHHAEPLOFPVFJH-OAHLLOKOSA-N 2 0 306.450 2.786 20 0 DFADRP CN(CCC[N@H+](C)[C@H]1CCc2ccc(F)cc21)CC[NH+](C)C ZINC000344033737 428614348 /nfs/dbraw/zinc/61/43/48/428614348.db2.gz QCSFNPLJKIWKTK-SFHVURJKSA-N 2 0 307.457 2.628 20 0 DFADRP CC(=O)c1ccc2c(c1)CC[N@@H+](CCCn1ccnc1C)CC2 ZINC000362098198 428620332 /nfs/dbraw/zinc/62/03/32/428620332.db2.gz KKOMZRRMIZGKOF-UHFFFAOYSA-N 2 0 311.429 2.885 20 0 DFADRP C[NH2+]Cc1ccccc1NC(=O)N[C@H](C)C[N@@H+]1CCC[C@H](C)C1 ZINC000415903920 428621341 /nfs/dbraw/zinc/62/13/41/428621341.db2.gz RCASIHFFWXOSAN-LSDHHAIUSA-N 2 0 318.465 2.648 20 0 DFADRP C[C@H](Cc1cnccn1)[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000358660468 428622503 /nfs/dbraw/zinc/62/25/03/428622503.db2.gz GKRHLJGYUFBWJJ-OAHLLOKOSA-N 2 0 302.466 2.794 20 0 DFADRP CC[NH2+]Cc1cccc(NC(=O)N2C[C@H](C)[N@H+](CC)C[C@H]2C)c1 ZINC000415907686 428623324 /nfs/dbraw/zinc/62/33/24/428623324.db2.gz BTGINYVHJMPCET-LSDHHAIUSA-N 2 0 318.465 2.743 20 0 DFADRP CC[NH2+]Cc1cccc(NC(=O)NCC[N@H+](CC)C(C)C)c1 ZINC000415906027 428623357 /nfs/dbraw/zinc/62/33/57/428623357.db2.gz JLCZBMSVFNYDTL-UHFFFAOYSA-N 2 0 306.454 2.648 20 0 DFADRP CC[N@@H+]1CC[C@H](N(C)C(=O)Nc2ccccc2C[NH2+]C)[C@H](C)C1 ZINC000415912461 428624503 /nfs/dbraw/zinc/62/45/03/428624503.db2.gz LITAQHJJXJLUJN-PBHICJAKSA-N 2 0 318.465 2.600 20 0 DFADRP C[NH2+]Cc1ccccc1NC(=O)NCC(C)(C)C[NH+]1CCCC1 ZINC000415928648 428628024 /nfs/dbraw/zinc/62/80/24/428628024.db2.gz YGSYJOPDNLAADB-UHFFFAOYSA-N 2 0 318.465 2.650 20 0 DFADRP CC[NH+](CC)Cc1ccc(C(=O)N2C[C@H](C)[NH+](C)[C@@H](C)C2)cc1 ZINC000358689125 428629108 /nfs/dbraw/zinc/62/91/08/428629108.db2.gz VFMPCCOUCDXJSM-HOTGVXAUSA-N 2 0 317.477 2.693 20 0 DFADRP CC[NH2+]Cc1cccc(NC(=O)NC[C@H](C)[NH+](CC)CC)c1 ZINC000415931689 428631387 /nfs/dbraw/zinc/63/13/87/428631387.db2.gz LEIFYQQIHLWQBC-AWEZNQCLSA-N 2 0 306.454 2.648 20 0 DFADRP C[NH2+]Cc1cccc(NC(=O)NC[C@H](C)[N@@H+]2CCCC[C@@H]2C)c1 ZINC000415934603 428631415 /nfs/dbraw/zinc/63/14/15/428631415.db2.gz RPBBBKFKZPMEAZ-GJZGRUSLSA-N 2 0 318.465 2.790 20 0 DFADRP COCCC[NH+]1CCC([NH2+][C@H]2CCCc3ccc(O)cc32)CC1 ZINC000291337589 274019959 /nfs/dbraw/zinc/01/99/59/274019959.db2.gz WDTSGSMLMKUGDS-IBGZPJMESA-N 2 0 318.461 2.860 20 0 DFADRP C[NH2+]Cc1ccc(NC(=O)N(C)CC[C@H]2CCCC[N@@H+]2C)cc1 ZINC000415976678 428639705 /nfs/dbraw/zinc/63/97/05/428639705.db2.gz WQJWXLUOENNXQY-QGZVFWFLSA-N 2 0 318.465 2.744 20 0 DFADRP C[NH2+]Cc1ccc(NC(=O)NC[C@H](C)[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000415973914 428640080 /nfs/dbraw/zinc/64/00/80/428640080.db2.gz PREOOYDJMYJOES-GJZGRUSLSA-N 2 0 318.465 2.790 20 0 DFADRP CCC[N@H+](C)C[C@@H]1CCN(C(=O)Nc2ccc(C[NH2+]C)cc2)C1 ZINC000415976532 428640284 /nfs/dbraw/zinc/64/02/84/428640284.db2.gz VWSQUDSCSGZRKE-INIZCTEOSA-N 2 0 318.465 2.602 20 0 DFADRP C[NH+](C)CC[C@H](NC(=O)Nc1ccc(C[NH3+])cc1)C(C)(C)C ZINC000415973206 428640310 /nfs/dbraw/zinc/64/03/10/428640310.db2.gz JEOSJOSQGDSQFO-HNNXBMFYSA-N 2 0 306.454 2.633 20 0 DFADRP Cc1ccc(CCC[NH+]2CC[C@@H](C[N@H+](C)CC3CC3)C2)cn1 ZINC000353654394 428641103 /nfs/dbraw/zinc/64/11/03/428641103.db2.gz VCLHFUFDDUKJST-IBGZPJMESA-N 2 0 301.478 2.986 20 0 DFADRP CC[C@]1(C(=O)NCC(C)(C)[NH2+][C@H](C)c2ccccc2)CC[NH2+]C1 ZINC000362158178 428643089 /nfs/dbraw/zinc/64/30/89/428643089.db2.gz CXAUARVAYOHDKA-BEFAXECRSA-N 2 0 317.477 2.622 20 0 DFADRP C[N@@H+]1CC[C@H]([NH2+]CCNc2ccc3ccccc3n2)[C@H]2CCC[C@H]21 ZINC000353647231 428635664 /nfs/dbraw/zinc/63/56/64/428635664.db2.gz QZHVPNOTLKDBGF-NZSAHSFTSA-N 2 0 324.472 3.109 20 0 DFADRP C/C=C\C[C@H](CO)[NH2+][C@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000348191061 428648567 /nfs/dbraw/zinc/64/85/67/428648567.db2.gz FLPRWZIQFOLXCC-BSWMADRKSA-N 2 0 302.462 2.814 20 0 DFADRP Cn1cc2c(n1)CCC[C@H]2[NH2+]Cc1ccc(F)c(C[NH+](C)C)c1 ZINC000358753353 428658018 /nfs/dbraw/zinc/65/80/18/428658018.db2.gz LNCLRYDHOSRAAQ-QGZVFWFLSA-N 2 0 316.424 2.788 20 0 DFADRP CC[N@H+](CCC1CC[NH+]([C@H](C)C(=O)NC2CC2)CC1)CC(C)C ZINC000358746168 428652917 /nfs/dbraw/zinc/65/29/17/428652917.db2.gz QHDDQYCURAEMNW-MRXNPFEDSA-N 2 0 323.525 2.734 20 0 DFADRP FC(F)(F)COc1ccc(CN2C[C@@H]3CCC[NH2+][C@@H]3C2)cc1 ZINC000353675433 428653314 /nfs/dbraw/zinc/65/33/14/428653314.db2.gz UPEBRCWGODLESE-DZGCQCFKSA-N 2 0 314.351 2.812 20 0 DFADRP C[C@@H]([NH3+])[C@H](C)C(=O)NCc1ccccc1C[N@@H+]1CCCC[C@H]1C ZINC000192094056 274239415 /nfs/dbraw/zinc/23/94/15/274239415.db2.gz QHELQHLETSKYQJ-OWCLPIDISA-N 2 0 317.477 2.661 20 0 DFADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CCCSC2)[C@H](C)C1 ZINC000348249787 428676045 /nfs/dbraw/zinc/67/60/45/428676045.db2.gz ZGWFPMMFJLOEFA-IKGGRYGDSA-N 2 0 314.539 2.856 20 0 DFADRP C[N@H+](CCO)C1CC[NH+](CC2CCC(C(F)(F)F)CC2)CC1 ZINC000344522540 428673065 /nfs/dbraw/zinc/67/30/65/428673065.db2.gz QYYVQZKYSKQJIG-UHFFFAOYSA-N 2 0 322.415 2.744 20 0 DFADRP Cc1ccc([C@H]2CCC[C@@H]2[NH2+]CC2(O)CC[NH+](C)CC2)cc1 ZINC000344749441 428700535 /nfs/dbraw/zinc/70/05/35/428700535.db2.gz NYEIFZUSBBXRNM-MSOLQXFVSA-N 2 0 302.462 2.677 20 0 DFADRP C[N@@H+]1CCC[C@@H]1CCN1C[C@@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000348305999 428700583 /nfs/dbraw/zinc/70/05/83/428700583.db2.gz LLCFWVXAOKAFPH-VAMGGRTRSA-N 2 0 313.489 2.535 20 0 DFADRP C[NH+](C)Cc1cccc(NC(=O)[C@@H](C[NH3+])c2ccc(F)cc2)c1 ZINC000358850327 428704269 /nfs/dbraw/zinc/70/42/69/428704269.db2.gz DUFVKNQRNXHLJF-KRWDZBQOSA-N 2 0 315.392 2.568 20 0 DFADRP CC(C)(C)OCC[N@@H+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000348325386 428707952 /nfs/dbraw/zinc/70/79/52/428707952.db2.gz HSJIFZQONHDLQF-HDICACEKSA-N 2 0 302.462 2.865 20 0 DFADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)CC1=CCCCC1 ZINC000358869528 428713271 /nfs/dbraw/zinc/71/32/71/428713271.db2.gz FLELOKYJTZEQQP-SFHVURJKSA-N 2 0 321.509 2.751 20 0 DFADRP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1[NH2+]Cc1cnc2cnccn12 ZINC000344853453 428716160 /nfs/dbraw/zinc/71/61/60/428716160.db2.gz XRAUTHBDZRUUAE-RDJZCZTQSA-N 2 0 315.465 2.720 20 0 DFADRP CC(C)[C@@H](c1nc(-c2ccc(C[NH+](C)C)cc2)no1)[C@H](C)[NH3+] ZINC000416398793 428731807 /nfs/dbraw/zinc/73/18/07/428731807.db2.gz FUFDNJGIUUDZQI-SWLSCSKDSA-N 2 0 302.422 2.885 20 0 DFADRP CC[N@@H+]1C[C@H](C)[C@H](NCC[C@@H](C)[NH+](C)Cc2ccccc2)C1 ZINC000344619678 428683365 /nfs/dbraw/zinc/68/33/65/428683365.db2.gz XDKWLNRFMHKVSU-YQVWRLOYSA-N 2 0 303.494 2.827 20 0 DFADRP CC[N@@H+]1CC[C@H](N(C)Cc2ccc(C(=O)OC)c(F)c2)C[C@H]1C ZINC000362481482 428763107 /nfs/dbraw/zinc/76/31/07/428763107.db2.gz XDRBIKNWGSHPGV-HIFRSBDPSA-N 2 0 322.424 2.917 20 0 DFADRP C[C@@H]1CCC[C@@H](C[N@@H+]2CCCC[C@@H](N3CCN(C)CC3)C2)C1 ZINC000374873481 428769573 /nfs/dbraw/zinc/76/95/73/428769573.db2.gz HNRKHAOIKQQHCH-GUDVDZBRSA-N 2 0 307.526 2.915 20 0 DFADRP CC[N@H+](CCC1CCN(C(=O)[C@H]2CCC[NH+]2C)CC1)CC(C)C ZINC000359014552 428772150 /nfs/dbraw/zinc/77/21/50/428772150.db2.gz VDCSPFRGCYLDJG-GOSISDBHSA-N 2 0 323.525 2.687 20 0 DFADRP CCOC(=O)C1(C)CCC([NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000353915739 428774450 /nfs/dbraw/zinc/77/44/50/428774450.db2.gz OCAFIVWONODFJB-SYJJWHGVSA-N 2 0 308.466 2.572 20 0 DFADRP CN(c1nc(CN2CCC[C@@H](c3ncc[nH]3)C2)cs1)C1CC1 ZINC000362513853 428780232 /nfs/dbraw/zinc/78/02/32/428780232.db2.gz WRORNXHGZODHNL-GFCCVEGCSA-N 2 0 317.462 2.844 20 0 DFADRP CCOC(=O)C1(C)CCC([NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000353929415 428781987 /nfs/dbraw/zinc/78/19/87/428781987.db2.gz MECBSLUZHDPIBG-GARNVTTQSA-N 2 0 308.466 2.715 20 0 DFADRP CC(C)SCC[NH+]1CCC(C[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000374911252 428783341 /nfs/dbraw/zinc/78/33/41/428783341.db2.gz KVKNLXPLDZYXKM-HOTGVXAUSA-N 2 0 314.539 2.949 20 0 DFADRP C[C@@H]1C[C@@H]1C[NH+]1CCN([C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000348561782 428790133 /nfs/dbraw/zinc/79/01/33/428790133.db2.gz YAOQXGCLVUDRDA-RLLQIKCJSA-N 2 0 313.489 2.535 20 0 DFADRP CNC(=O)CCC[N@H+](C)Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000411404530 428791264 /nfs/dbraw/zinc/79/12/64/428791264.db2.gz XBAXQLFOHPLDPG-UHFFFAOYSA-N 2 0 317.477 2.631 20 0 DFADRP C[C@@H]([NH2+]CCC1CC(O)C1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000348417456 428737966 /nfs/dbraw/zinc/73/79/66/428737966.db2.gz UNHDCQZJXOOJBQ-IZIZEDOESA-N 2 0 302.462 2.648 20 0 DFADRP COc1cc([C@H](C)[NH2+]CCC[N@@H+]2CCCO[C@@H](C)C2)ccc1F ZINC000348424112 428741573 /nfs/dbraw/zinc/74/15/73/428741573.db2.gz QFAZKBFMSQEOMV-GJZGRUSLSA-N 2 0 324.440 2.986 20 0 DFADRP CC(C)C[N@H+](CC(N)=O)Cc1cccc(C[NH+]2CCCCC2)c1 ZINC000411163483 428751852 /nfs/dbraw/zinc/75/18/52/428751852.db2.gz JFORLVOOYLVOMK-UHFFFAOYSA-N 2 0 317.477 2.616 20 0 DFADRP C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)NCCC[N@H+](C)C1CCCCC1 ZINC000417044285 428845349 /nfs/dbraw/zinc/84/53/49/428845349.db2.gz XVNTVTIMXIUZDZ-RDJZCZTQSA-N 2 0 324.513 2.552 20 0 DFADRP CC[NH+](CC[C@H](C)CC[N@@H+](CC)[C@H]1CCOC1)[C@@H]1CCOC1 ZINC000411750815 428852161 /nfs/dbraw/zinc/85/21/61/428852161.db2.gz ZTSXTMYLMLGWOB-BCDXTJNWSA-N 2 0 312.498 2.624 20 0 DFADRP CO[C@H]1CCN(CCOc2cccc(C(C)(C)C)c2)[C@H](C[NH3+])C1 ZINC000359052869 428793943 /nfs/dbraw/zinc/79/39/43/428793943.db2.gz GUHLMEPQCRBLRL-IRXDYDNUSA-N 2 0 320.477 2.801 20 0 DFADRP OC[C@@H]1CSCC[N@@H+]1Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000411427967 428796429 /nfs/dbraw/zinc/79/64/29/428796429.db2.gz PIFXWRGIBNYZJV-GOSISDBHSA-N 2 0 320.502 2.582 20 0 DFADRP CC[N@@H+]1CC[C@@H]([NH+](C)CCOCCOc2ccccc2)[C@H](C)C1 ZINC000348632262 428799536 /nfs/dbraw/zinc/79/95/36/428799536.db2.gz DFJGFABXWKSDRY-IEBWSBKVSA-N 2 0 320.477 2.744 20 0 DFADRP CC(C)[C@H](C(=O)N[C@@H]1CC[N@@H+](C2CCCC2)C1)[NH+]1CCCCC1 ZINC000359067289 428801599 /nfs/dbraw/zinc/80/15/99/428801599.db2.gz VWXKEDKWJWRWRT-SJLPKXTDSA-N 2 0 321.509 2.630 20 0 DFADRP C[C@@H](O)[C@@H]1CC[N@H+](Cc2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC000411497273 428805455 /nfs/dbraw/zinc/80/54/55/428805455.db2.gz ODPJGJXEOHEJJH-VQIMIIECSA-N 2 0 302.462 2.875 20 0 DFADRP O[C@@H]1CC[C@@H]2C[N@H+](Cc3cccc(C[NH+]4CCCCC4)c3)C[C@@H]12 ZINC000411499586 428806463 /nfs/dbraw/zinc/80/64/63/428806463.db2.gz DERRIAIANLXDQK-VAMGGRTRSA-N 2 0 314.473 2.875 20 0 DFADRP Cc1cc2[nH]c(C[NH2+][C@@H](C)CN3CC[NH+](C)CC3)cc2c(C)c1 ZINC000359086143 428810552 /nfs/dbraw/zinc/81/05/52/428810552.db2.gz VINPJNMAXJDDQQ-INIZCTEOSA-N 2 0 314.477 2.510 20 0 DFADRP CCCNC(=O)CCC[NH2+][C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000411518629 428811639 /nfs/dbraw/zinc/81/16/39/428811639.db2.gz PVVSJTFJHNAMLV-HOTGVXAUSA-N 2 0 309.498 2.535 20 0 DFADRP C[C@H]1C[N@H+](Cc2cccc(C[NH+]3CCCCC3)c2)CC[C@@H]1O ZINC000411562755 428817773 /nfs/dbraw/zinc/81/77/73/428817773.db2.gz BYISKQJHJBYHEL-LPHOPBHVSA-N 2 0 302.462 2.875 20 0 DFADRP Cc1nc2c(n1[C@@H]1CC[N@H+](CCC3(O)CCC3)C1)CCCC2 ZINC000411578555 428819822 /nfs/dbraw/zinc/81/98/22/428819822.db2.gz SMAKMGQSBNBLBB-OAHLLOKOSA-N 2 0 303.450 2.622 20 0 DFADRP CC[N@@H+]1CC[C@H](CN[C@@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)C1 ZINC000359117264 428824346 /nfs/dbraw/zinc/82/43/46/428824346.db2.gz SFRMQAJNIVDHAN-MISYRCLQSA-N 2 0 315.505 2.971 20 0 DFADRP CC(C)(C)CC(=O)N1CCC([NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000359119201 428825336 /nfs/dbraw/zinc/82/53/36/428825336.db2.gz WWTWATKVUMOKRM-DLBZAZTESA-N 2 0 321.509 2.630 20 0 DFADRP C[C@H]1[C@@H](CO)CC[N@@H+]1Cc1cccc(C[NH+]2CCCCC2)c1 ZINC000411655146 428834606 /nfs/dbraw/zinc/83/46/06/428834606.db2.gz IRJNUZVFKSSLAE-QFBILLFUSA-N 2 0 302.462 2.875 20 0 DFADRP CCSCC[N@H+](C)C[C@@H]1CCCN(CC)[C@H]1c1cnn(C)c1 ZINC000375267693 428837379 /nfs/dbraw/zinc/83/73/79/428837379.db2.gz WZNROHREXRYMDW-DOTOQJQBSA-N 2 0 324.538 2.878 20 0 DFADRP CC(C)C(C[N@@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@@H](C)C1)C(C)C ZINC000375273059 428841305 /nfs/dbraw/zinc/84/13/05/428841305.db2.gz WQWQNVCVNYWTKI-HKUYNNGSSA-N 2 0 309.542 2.872 20 0 DFADRP c1c[nH]c(CN2CC[C@@]3(C2)CCC[N@H+](Cc2ccccc2)C3)n1 ZINC000363323863 428906134 /nfs/dbraw/zinc/90/61/34/428906134.db2.gz FOTMUKRJMBPFJU-IBGZPJMESA-N 2 0 310.445 2.898 20 0 DFADRP CC[NH+](CC)CCO[C@@H]1CC[N@H+](Cc2cc(C)ccc2OC)C1 ZINC000354088907 428856896 /nfs/dbraw/zinc/85/68/96/428856896.db2.gz WBYDYRUCMJGZTM-GOSISDBHSA-N 2 0 320.477 2.936 20 0 DFADRP CC[NH+](CC)CCO[C@@H]1CC[N@H+](Cc2c[nH]nc2C(C)(C)C)C1 ZINC000354105862 428864437 /nfs/dbraw/zinc/86/44/37/428864437.db2.gz FMTUGGXYUUHBPN-MRXNPFEDSA-N 2 0 322.497 2.640 20 0 DFADRP Cn1cc(C[C@H]2CC[N@H+](Cc3ccc(-n4ccnc4)cc3)C2)cn1 ZINC000363134857 428867259 /nfs/dbraw/zinc/86/72/59/428867259.db2.gz MGUBAAHDGCLABZ-QGZVFWFLSA-N 2 0 321.428 2.670 20 0 DFADRP C[NH+](C)CCCOc1ccc(C[NH2+][C@H]2COC(C)(C)C2)cc1 ZINC000417898455 428871202 /nfs/dbraw/zinc/87/12/02/428871202.db2.gz JJQWURUEBRCRIH-MRXNPFEDSA-N 2 0 306.450 2.674 20 0 DFADRP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](CCC2CC[NH2+]CC2)C1 ZINC000359226047 428875689 /nfs/dbraw/zinc/87/56/89/428875689.db2.gz VPFDNQILOHTYNC-IEBWSBKVSA-N 3 0 307.526 2.963 20 0 DFADRP C[C@@H](CCCC[NH3+])NC(=O)NC[C@@H]1CCC[N@@H+]1C1CCCCC1 ZINC000418133816 428884824 /nfs/dbraw/zinc/88/48/24/428884824.db2.gz LJISZFKOPDNLSP-RDJZCZTQSA-N 2 0 324.513 2.600 20 0 DFADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)Cc1ccc(OC)cc1 ZINC000349034694 428903920 /nfs/dbraw/zinc/90/39/20/428903920.db2.gz FGYDQPOWAJKBPR-SFHVURJKSA-N 2 0 319.493 2.543 20 0 DFADRP CCCC[N@@H+]1CCCC[C@H]1CNC(=O)[C@H]1CCC[NH+]1CCC ZINC000349040481 428905233 /nfs/dbraw/zinc/90/52/33/428905233.db2.gz ASCNIEVQWVRNLQ-DLBZAZTESA-N 2 0 309.498 2.632 20 0 DFADRP Cc1ncc(C[N@@H+](C)C2CCN(c3cc[nH+]cc3)CC2)s1 ZINC000363459309 428920622 /nfs/dbraw/zinc/92/06/22/428920622.db2.gz JXKVDHWRHFECDC-UHFFFAOYSA-N 2 0 302.447 2.947 20 0 DFADRP CC[N@@H+]1CC[C@@H]([NH+](C)CCC(=O)Nc2ccc(F)cc2)C[C@H]1C ZINC000354222008 428922956 /nfs/dbraw/zinc/92/29/56/428922956.db2.gz IGHKKKFCAOQOOX-RHSMWYFYSA-N 2 0 321.440 2.959 20 0 DFADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NCCCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000349115841 428923212 /nfs/dbraw/zinc/92/32/12/428923212.db2.gz DZISJCGOOBIXAO-OKZBNKHCSA-N 2 0 323.525 2.735 20 0 DFADRP C[C@H](C[NH2+][C@@H]1CCC(=O)Nc2ccc(F)cc21)C[NH+]1CCCC1 ZINC000363688583 428971682 /nfs/dbraw/zinc/97/16/82/428971682.db2.gz MUAAYDSEAAFAPL-CZUORRHYSA-N 2 0 319.424 2.921 20 0 DFADRP OCC[NH+]1CCC(C[NH2+][C@@H](c2ccc(F)cc2)C2CC2)CC1 ZINC000359368180 428943185 /nfs/dbraw/zinc/94/31/85/428943185.db2.gz CXUBJMSSVXODKE-GOSISDBHSA-N 2 0 306.425 2.571 20 0 DFADRP CN1CCC([NH+]2CCC(CC[N@H+](C)CCCCF)CC2)CC1 ZINC000375714741 428951624 /nfs/dbraw/zinc/95/16/24/428951624.db2.gz QPGIMXBHUFGZSS-UHFFFAOYSA-N 2 0 313.505 2.864 20 0 DFADRP C[C@H](C[NH2+][C@H]1CCN(C2CC[NH+](C)CC2)C1)c1ccccc1 ZINC000375717141 428951766 /nfs/dbraw/zinc/95/17/66/428951766.db2.gz FLCYQZXWTZMUFL-AEFFLSMTSA-N 2 0 301.478 2.548 20 0 DFADRP COC(=O)c1csc([C@H](C)[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000423541449 428967220 /nfs/dbraw/zinc/96/72/20/428967220.db2.gz FITAFGBAYQAJQT-ZJQBRPOHSA-N 2 0 308.447 2.573 20 0 DFADRP CC[C@H]([NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1)c1ccc(C(=O)OC)cc1 ZINC000423541057 428967430 /nfs/dbraw/zinc/96/74/30/428967430.db2.gz FAVNYXYXAJBEND-FJIDUMEYSA-N 2 0 316.445 2.902 20 0 DFADRP C[C@@H]1[C@@H]([NH2+]CCC2=CC[NH2+]CC2)CCCN1Cc1ccccc1 ZINC000423540140 428969906 /nfs/dbraw/zinc/96/99/06/428969906.db2.gz PYQNXLCRABXHJI-XLIONFOSSA-N 2 0 313.489 2.939 20 0 DFADRP COc1ccc2c(c1F)CC[C@@H]2[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000423549307 428970259 /nfs/dbraw/zinc/97/02/59/428970259.db2.gz NIBSZVWNDFSAOS-JFILPPLUSA-N 2 0 304.409 2.799 20 0 DFADRP c1ccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@H](N[C@@H]2CCCC[NH2+]C2)C3)cc1 ZINC000423556141 428970491 /nfs/dbraw/zinc/97/04/91/428970491.db2.gz MMZHBQPDIQMRMM-WTGUMLROSA-N 3 0 313.489 2.914 20 0 DFADRP COc1ccc2c(c1F)CC[C@@H]2[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000423549306 428970976 /nfs/dbraw/zinc/97/09/76/428970976.db2.gz NIBSZVWNDFSAOS-IATRGZMQSA-N 2 0 304.409 2.799 20 0 DFADRP C[NH+](C)C[C@@H](NC(=O)CC[C@@H]1CCC[NH2+]1)c1ccc(Cl)cc1 ZINC000423769107 429015100 /nfs/dbraw/zinc/01/51/00/429015100.db2.gz FRNULFFAIMRSIO-JKSUJKDBSA-N 2 0 323.868 2.591 20 0 DFADRP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NCC[N@H+]1CC=C(C(C)(C)C)CC1 ZINC000354874608 429017537 /nfs/dbraw/zinc/01/75/37/429017537.db2.gz ACRZXCRFWGCPSX-HZPDHXFCSA-N 2 0 321.509 2.654 20 0 DFADRP [NH3+]C1(C(=O)Nc2cccc(CC[NH+]3CCCC3)c2)CCCC1 ZINC000423777100 429017448 /nfs/dbraw/zinc/01/74/48/429017448.db2.gz RDPGUTSKRXZICA-UHFFFAOYSA-N 2 0 301.434 2.535 20 0 DFADRP CC[NH+](CC)[C@@H](C(=O)N(C)C[C@@H]1CCC[N@@H+]1C)c1ccccc1 ZINC000421711684 429018427 /nfs/dbraw/zinc/01/84/27/429018427.db2.gz PBWBYKVACPYAHC-ZWKOTPCHSA-N 2 0 317.477 2.622 20 0 DFADRP Cc1cc(C[NH+](C)C)cc(NC(=O)[C@@H]2C[C@H]3CCCC[C@H]3[NH2+]2)c1 ZINC000423788461 429021827 /nfs/dbraw/zinc/02/18/27/429021827.db2.gz SHGUNBCBKFXIDQ-NXHRZFHOSA-N 2 0 315.461 2.916 20 0 DFADRP Cc1cc(C[NH+](C)C)cc(NC(=O)[C@H]2Cc3ccccc3C[NH2+]2)c1 ZINC000423794085 429022811 /nfs/dbraw/zinc/02/28/11/429022811.db2.gz XPFRVYHHJSMYPA-LJQANCHMSA-N 2 0 323.440 2.710 20 0 DFADRP Cc1ccc2c(c1)[C@H]([NH2+][C@@H](C)CCN1CC[NH+](C)CC1)CCC2 ZINC000186575463 274778762 /nfs/dbraw/zinc/77/87/62/274778762.db2.gz BCPXRLBSLDTZFK-FXAWDEMLSA-N 2 0 315.505 2.988 20 0 DFADRP CC[NH+]1CCC(CCNC(=O)c2ccccc2C[NH+](C)C)CC1 ZINC000433383110 429030539 /nfs/dbraw/zinc/03/05/39/429030539.db2.gz RIAFPWXSCCQDBO-UHFFFAOYSA-N 2 0 317.477 2.600 20 0 DFADRP C[C@H](CC(=O)Nc1cccc(Cl)c1)[NH2+]CCC1=CC[NH2+]CC1 ZINC000423570758 428975186 /nfs/dbraw/zinc/97/51/86/428975186.db2.gz XCGVUZFOEVNZNH-CYBMUJFWSA-N 2 0 321.852 2.957 20 0 DFADRP C[C@@H](C(=O)N[C@H]1CCCC[C@H]1C)N1CCC2(CCC[N@@H+]2C)CC1 ZINC000375816061 428984321 /nfs/dbraw/zinc/98/43/21/428984321.db2.gz QMBWIHJCKXZRRU-IKGGRYGDSA-N 2 0 321.509 2.630 20 0 DFADRP OCC1(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)CC(c2ccccc2)C1 ZINC000433085628 428992439 /nfs/dbraw/zinc/99/24/39/428992439.db2.gz WZCGYEUPSRNUCK-WBFXSEPVSA-N 2 0 314.473 2.759 20 0 DFADRP COCC[C@H]([NH2+][C@@H]1CCc2nccn2C1)c1ccc(F)cc1 ZINC000375839301 428993634 /nfs/dbraw/zinc/99/36/34/428993634.db2.gz IAOFNYSSUQBNCB-CVEARBPZSA-N 2 0 303.381 2.704 20 0 DFADRP Cc1cccc(N2CCC([NH2+][C@@H]3C[C@H](C)[N@@H+](C)C[C@H]3C)CC2)n1 ZINC000363791591 428994178 /nfs/dbraw/zinc/99/41/78/428994178.db2.gz TXPNALLYMJSDBD-UWWQBHOKSA-N 3 0 316.493 2.677 20 0 DFADRP CN(C(=O)CCC[NH+]1CCC([NH3+])CC1)C1CCC(C)(C)CC1 ZINC000433136763 428998255 /nfs/dbraw/zinc/99/82/55/428998255.db2.gz MQNXGKXDYPGHIP-UHFFFAOYSA-N 2 0 309.498 2.617 20 0 DFADRP CCC[C@@]1(C)CCCN(C(=O)CCC[NH+]2CCC([NH3+])CC2)C1 ZINC000433139124 428998414 /nfs/dbraw/zinc/99/84/14/428998414.db2.gz VREDAHCRCUGRDB-SFHVURJKSA-N 2 0 309.498 2.619 20 0 DFADRP Cc1ccc([C@@H](C)NC(=O)CCC[NH+]2CCC([NH3+])CC2)cc1F ZINC000433136141 428999421 /nfs/dbraw/zinc/99/94/21/428999421.db2.gz KUDJPQBPYIAPGS-CQSZACIVSA-N 2 0 321.440 2.515 20 0 DFADRP COc1cccc(OCCC[NH2+][C@@H]2CC[N@H+](C)[C@@H]3CCC[C@@H]32)c1 ZINC000375855039 428999716 /nfs/dbraw/zinc/99/97/16/428999716.db2.gz YAWSAGKSSUVGMN-GUDVDZBRSA-N 2 0 318.461 2.927 20 0 DFADRP C[C@@H](CC[NH2+]C1CCN(c2nccs2)CC1)[NH+]1CCCCC1 ZINC000363861403 429000327 /nfs/dbraw/zinc/00/03/27/429000327.db2.gz MHDMRJYMRVDGCN-HNNXBMFYSA-N 2 0 322.522 2.966 20 0 DFADRP CCC[C@H]1CCC[C@H]1[NH2+]Cc1cccnc1N1CC[NH+](C)CC1 ZINC000433147670 429002029 /nfs/dbraw/zinc/00/20/29/429002029.db2.gz ZJYGNWSACWXXKQ-FUHWJXTLSA-N 2 0 316.493 2.892 20 0 DFADRP C[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCCN(C(=O)C[C@@H]2CCCC[C@@H]2[NH3+])C1 ZINC000423721068 429004106 /nfs/dbraw/zinc/00/41/06/429004106.db2.gz BKEGRIRVKWPCHK-RZFLPCETSA-N 2 0 321.509 2.758 20 0 DFADRP CC[N@H+](C)[C@@H](C(=O)NC1CCC([NH+](C)C)CC1)c1ccccc1 ZINC000421681648 429009937 /nfs/dbraw/zinc/00/99/37/429009937.db2.gz YOXSYEKONOWJAB-DAWZGUTISA-N 2 0 317.477 2.668 20 0 DFADRP C[N@@H+]1CC[C@H]([NH2+]Cc2ccc(C(C)(C)O)cc2)[C@H]2CCC[C@H]21 ZINC000375898368 429011556 /nfs/dbraw/zinc/01/15/56/429011556.db2.gz RRDLMKASRWLVBO-FGTMMUONSA-N 2 0 302.462 2.876 20 0 DFADRP CC(C)CN(C(=O)C[C@H](C)[C@H]1CCC[NH2+]C1)C1CC[NH+](C)CC1 ZINC000423763911 429011938 /nfs/dbraw/zinc/01/19/38/429011938.db2.gz SCHFNRKHFQRMNC-IRXDYDNUSA-N 2 0 323.525 2.591 20 0 DFADRP Cc1ccc(C)c(C[N@H+]2CC[C@@H](N3CC[NH+](C(C)C)CC3)C2)c1 ZINC000375903144 429013396 /nfs/dbraw/zinc/01/33/96/429013396.db2.gz HDBZPAMINLMBAX-HXUWFJFHSA-N 2 0 315.505 2.904 20 0 DFADRP CC[C@H]([NH3+])CN[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000423466285 429092347 /nfs/dbraw/zinc/09/23/47/429092347.db2.gz NHZWTDWIAGHJHK-WJFTUGDTSA-N 2 0 301.478 2.757 20 0 DFADRP COC1([C@@H](C)[NH2+]CCCC[N@@H+]2CCC[C@H]2CO)CCCCC1 ZINC000421835327 429038940 /nfs/dbraw/zinc/03/89/40/429038940.db2.gz PSYCXGIQDNEGKC-SJORKVTESA-N 2 0 312.498 2.551 20 0 DFADRP COC(=O)C[C@@H]1CC[C@@H]([NH2+]C2CC([NH+]3CCCCC3)C2)[C@H]1C ZINC000376023104 429041885 /nfs/dbraw/zinc/04/18/85/429041885.db2.gz WNUNIHOLWDWFHV-VAZJSPDQSA-N 2 0 308.466 2.571 20 0 DFADRP CC(C)C[N@H+](CC(=O)NC1CC[NH+](C2CC2)CC1)C1CCCC1 ZINC000355390450 429044478 /nfs/dbraw/zinc/04/44/78/429044478.db2.gz GAYXLYXLDJGNLO-UHFFFAOYSA-N 2 0 321.509 2.630 20 0 DFADRP Cc1[nH+]ccc(N2CC[C@H]([NH+]3CCN(C)CC3)[C@@H](C)C2)c1Cl ZINC000355096506 274858801 /nfs/dbraw/zinc/85/88/01/274858801.db2.gz OLQGICQCNQWKSL-ZFWWWQNUSA-N 2 0 322.884 2.506 20 0 DFADRP CC1(C)CCC(CNC(=O)CCC[NH+]2CCC([NH3+])CC2)CC1 ZINC000423881797 429047394 /nfs/dbraw/zinc/04/73/94/429047394.db2.gz SXBGFZMYIWEYSI-UHFFFAOYSA-N 2 0 309.498 2.522 20 0 DFADRP C[NH2+]C[C@@H](C)C[NH2+][C@H](C)c1ccc(NC(=O)NC(C)C)cc1 ZINC000423282671 429055395 /nfs/dbraw/zinc/05/53/95/429055395.db2.gz WQQHRVDTTOSUAP-ZIAGYGMSSA-N 2 0 306.454 2.723 20 0 DFADRP CCC([NH3+])(CC)CN[C@H](c1ccc(OC)cc1)[C@H]1CCC[NH2+]1 ZINC000423289256 429057065 /nfs/dbraw/zinc/05/70/65/429057065.db2.gz ARXRJIXSJWHYMD-IAGOWNOFSA-N 2 0 305.466 2.595 20 0 DFADRP [NH3+]C[C@@H]1CCC[C@@H]1N[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000423285673 429057249 /nfs/dbraw/zinc/05/72/49/429057249.db2.gz ZNCRZESJTLLCJC-FSGKZVOOSA-N 2 0 313.489 2.899 20 0 DFADRP C[C@@H](Cc1ccc(F)cc1Br)[NH2+]CC(C)(C)[NH3+] ZINC000423286701 429057561 /nfs/dbraw/zinc/05/75/61/429057561.db2.gz IHFFAQUYBWFGFK-VIFPVBQESA-N 2 0 303.219 2.846 20 0 DFADRP COc1ccccc1NC(=O)C[C@H](C)[NH2+][C@H]1CCCC[C@@H]1C[NH3+] ZINC000423285257 429057675 /nfs/dbraw/zinc/05/76/75/429057675.db2.gz YYLHRNWUNOSTPJ-ZNMIVQPWSA-N 2 0 319.449 2.519 20 0 DFADRP CCCC[C@@H](C[NH3+])N[C@@H](C)c1ccc(CCNC(C)=O)cc1 ZINC000423294425 429058615 /nfs/dbraw/zinc/05/86/15/429058615.db2.gz BVLJMEPSRLIBJH-KSSFIOAISA-N 2 0 305.466 2.533 20 0 DFADRP [NH3+]CCCC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H]2CCC[C@H]21 ZINC000423322331 429061685 /nfs/dbraw/zinc/06/16/85/429061685.db2.gz IFRCMZYYERQIHR-IPMKNSEASA-N 3 0 301.478 2.758 20 0 DFADRP [NH3+][C@H](C[NH2+][C@H](Cc1ccccc1Cl)[C@H]1CCCO1)C1CC1 ZINC000423315528 429062332 /nfs/dbraw/zinc/06/23/32/429062332.db2.gz IWTRUQVYSRXNJQ-BRWVUGGUSA-N 2 0 308.853 2.757 20 0 DFADRP C[C@H](NC[C@H]1C[NH2+]CCCO1)c1ccc(C(F)(F)F)cc1 ZINC000423485544 429097031 /nfs/dbraw/zinc/09/70/31/429097031.db2.gz AVMQIBIWRANDPE-SMDDNHRTSA-N 2 0 302.340 2.735 20 0 DFADRP C[N@@H+]1CC[C@H](NC[C@@]2(C)CCC[NH2+]C2)C[C@@H]1c1ccccc1 ZINC000423326551 429065075 /nfs/dbraw/zinc/06/50/75/429065075.db2.gz CKLVIOUFXQVXDQ-OTWHNJEPSA-N 2 0 301.478 2.801 20 0 DFADRP C[C@H]([NH2+]CCCC[NH3+])c1ccccc1I ZINC000423330030 429066007 /nfs/dbraw/zinc/06/60/07/429066007.db2.gz LQYHXAULESYDAI-JTQLQIEISA-N 2 0 318.202 2.681 20 0 DFADRP CC[C@@H]([NH2+]C[C@@]1(C)CCC[NH2+]C1)c1ccc(C(=O)OC)cc1 ZINC000423328268 429066322 /nfs/dbraw/zinc/06/63/22/429066322.db2.gz DKDRHFCJMGDXTJ-AEFFLSMTSA-N 2 0 304.434 2.904 20 0 DFADRP C[C@@H]1CCC[N@H+](CCCCNC(=O)[C@H]([NH3+])CC2CCCCC2)C1 ZINC000423323519 429066354 /nfs/dbraw/zinc/06/63/54/429066354.db2.gz HZMRQHGFJTWWEU-SJLPKXTDSA-N 2 0 323.525 2.912 20 0 DFADRP COc1ccc(C[C@@H](C)[NH2+]CC2(C)CC[NH2+]CC2)c(C)c1OC ZINC000423340268 429067440 /nfs/dbraw/zinc/06/74/40/429067440.db2.gz VUOSNIBEXWQJAE-CQSZACIVSA-N 2 0 320.477 2.923 20 0 DFADRP Cc1nn(C)c2sc([C@@H](C)[NH2+]C[C@]3(C)CCC[NH2+]C3)cc12 ZINC000423332811 429068023 /nfs/dbraw/zinc/06/80/23/429068023.db2.gz HHTXKWOOLKEFRD-MLGOLLRUSA-N 2 0 306.479 2.984 20 0 DFADRP c1ccc(C[N@H+]2CC[C@H](NC[C@@H]3CC[NH2+]C3)[C@@H]3CCC[C@@H]32)cc1 ZINC000423347884 429069634 /nfs/dbraw/zinc/06/96/34/429069634.db2.gz SCDOEALTIIQVMH-FYQPLNBISA-N 2 0 313.489 2.629 20 0 DFADRP C[C@@H](CNC(=O)[C@@H]([NH3+])CC1CCCCC1)[N@@H+]1CCC[C@@H](C)C1 ZINC000423343728 429069911 /nfs/dbraw/zinc/06/99/11/429069911.db2.gz XDKJXSABGZSVPN-VYDXJSESSA-N 2 0 309.498 2.521 20 0 DFADRP COc1ccc(C[C@H](C)[NH2+][C@H]2CCC[C@H]([NH3+])C2)c(C)c1OC ZINC000423371350 429074153 /nfs/dbraw/zinc/07/41/53/429074153.db2.gz QEZGCAWUPCKLNA-RCBQFDQVSA-N 2 0 306.450 2.803 20 0 DFADRP C[NH+](C)CCc1ccc(NC(=O)[C@@H]2[NH2+]CCCC2(C)C)cc1 ZINC000423372872 429074668 /nfs/dbraw/zinc/07/46/68/429074668.db2.gz HILYDLPAKNIMOT-INIZCTEOSA-N 2 0 303.450 2.507 20 0 DFADRP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)[C@H]([NH3+])CC1CCCCC1 ZINC000423369100 429074700 /nfs/dbraw/zinc/07/47/00/429074700.db2.gz SIVRURZWTJKHOL-HLLBOEOZSA-N 2 0 309.498 2.521 20 0 DFADRP C[C@@H]1C[NH2+]CC[C@@H]1N[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000423364670 429075541 /nfs/dbraw/zinc/07/55/41/429075541.db2.gz CRXQRPNIGBONIC-PKOFMYQESA-N 2 0 313.489 2.770 20 0 DFADRP C[C@@H]1C[C@H](N[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)CC[NH2+]1 ZINC000423382252 429076120 /nfs/dbraw/zinc/07/61/20/429076120.db2.gz OTGUPKBTVWHJKK-QFHJOOASSA-N 3 0 301.478 2.627 20 0 DFADRP C[C@@H]1C[NH2+]CC[C@@H]1[NH2+][C@@H]1CCc2cccc(Br)c2C1 ZINC000423382135 429077641 /nfs/dbraw/zinc/07/76/41/429077641.db2.gz DGHKTKYIETUFPB-KFNAQCHYSA-N 2 0 323.278 2.894 20 0 DFADRP C[C@H]1CN(Cc2ccccc2)C[C@@H]1[NH2+]Cc1ccc2c(c1)C[NH2+]C2 ZINC000423397456 429078775 /nfs/dbraw/zinc/07/87/75/429078775.db2.gz SWLHKFYYCHKMRS-KKSFZXQISA-N 2 0 321.468 2.900 20 0 DFADRP C[C@@H](CCC(C)(C)C)[NH2+]C[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000423396592 429079444 /nfs/dbraw/zinc/07/94/44/429079444.db2.gz RUIOTHBTZAAYFP-QWHCGFSZSA-N 2 0 309.420 2.627 20 0 DFADRP COCC1(C[NH2+][C@H](c2ncc[nH]2)C2CCCCC2)CC[NH2+]CC1 ZINC000423396887 429080056 /nfs/dbraw/zinc/08/00/56/429080056.db2.gz BQNCKZINBAKKCH-INIZCTEOSA-N 2 0 320.481 2.637 20 0 DFADRP COCC1(C[NH2+][C@@H](C)C2CCC(F)(F)CC2)CC[NH2+]CC1 ZINC000423408060 429080839 /nfs/dbraw/zinc/08/08/39/429080839.db2.gz NZXFOAZXFRBSAA-ZDUSSCGKSA-N 2 0 304.425 2.806 20 0 DFADRP COCC1(C[NH2+][C@@H](Cc2ccc(C)cc2)C2CC2)CC[NH2+]CC1 ZINC000423407805 429080957 /nfs/dbraw/zinc/08/09/57/429080957.db2.gz NHCAUQVKHZNYGI-IBGZPJMESA-N 2 0 316.489 2.922 20 0 DFADRP CC1(C)C[NH2+][C@@H]1C1CCN(C(=O)[C@H]([NH3+])CC2CCCCC2)CC1 ZINC000424038118 429081076 /nfs/dbraw/zinc/08/10/76/429081076.db2.gz HXCANGASPZXSAC-IAGOWNOFSA-N 2 0 321.509 2.521 20 0 DFADRP CC1(C)C[NH2+][C@H]1C1CCN(C(=O)[C@@H]([NH3+])CC2CCCCC2)CC1 ZINC000424038119 429081395 /nfs/dbraw/zinc/08/13/95/429081395.db2.gz HXCANGASPZXSAC-IRXDYDNUSA-N 2 0 321.509 2.521 20 0 DFADRP C[C@@H]1[NH2+]CCC[C@@H]1N[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000423398741 429082204 /nfs/dbraw/zinc/08/22/04/429082204.db2.gz VJZJOCVVAYUGNQ-XCZFOBESSA-N 2 0 313.489 2.912 20 0 DFADRP O[C@@H]1C[NH2+]C[C@@H]1C[NH2+][C@@H]1CCC[C@H](c2ccc(Cl)cc2)C1 ZINC000423413905 429083437 /nfs/dbraw/zinc/08/34/37/429083437.db2.gz BFJWZKXRAABQHE-XOSAIJSUSA-N 2 0 308.853 2.536 20 0 DFADRP CCC[NH+](CCC)CCCC(=O)N1C[C@H](C[NH3+])[C@@H](C)C[C@H]1C ZINC000424053799 429084472 /nfs/dbraw/zinc/08/44/72/429084472.db2.gz ACTSQUBSJXZLBP-BBWFWOEESA-N 2 0 311.514 2.720 20 0 DFADRP [NH3+][C@@H](CCC(=O)NCC1([NH3+])CCCCC1)CC1CCCCC1 ZINC000424059605 429085235 /nfs/dbraw/zinc/08/52/35/429085235.db2.gz OEXDFWLBWIBGFY-INIZCTEOSA-N 2 0 309.498 2.842 20 0 DFADRP COC[C@]1(C[NH2+][C@H](Cc2ccccc2C)C2CC2)CCC[NH2+]1 ZINC000423415832 429085292 /nfs/dbraw/zinc/08/52/92/429085292.db2.gz PNJQSSLTYPMCAL-RTBURBONSA-N 2 0 302.462 2.674 20 0 DFADRP CC[N@@H+]1CC[C@H](N(C)C(=O)c2ccc([C@H](C)[NH3+])cc2)[C@@H](C)C1 ZINC000423415739 429085768 /nfs/dbraw/zinc/08/57/68/429085768.db2.gz AZNHHNCKTIGDAS-ZQIUZPCESA-N 2 0 303.450 2.509 20 0 DFADRP C[C@@H]([NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1)c1ccc2c(c1)OCCCO2 ZINC000423428753 429086700 /nfs/dbraw/zinc/08/67/00/429086700.db2.gz GRLWORLBIPGTCU-XOKHGSTOSA-N 2 0 316.445 2.887 20 0 DFADRP Cc1ccc([C@H]([NH2+]C[C@@H]2C[NH2+]C[C@H]2O)C2CCCCC2)cc1 ZINC000423431441 429087157 /nfs/dbraw/zinc/08/71/57/429087157.db2.gz QNCFZHSSQKKRQJ-IPMKNSEASA-N 2 0 302.462 2.786 20 0 DFADRP COc1ccc([C@H](N[C@H](C)CCCC[NH3+])[C@H]2CCC[NH2+]2)cc1 ZINC000423428501 429087427 /nfs/dbraw/zinc/08/74/27/429087427.db2.gz JFKHCVFZMGTIDP-OLMNPRSZSA-N 2 0 305.466 2.595 20 0 DFADRP CCN(CC(=O)NCCC1CCCCC1)[C@@H]1CCC[NH2+]CC1 ZINC000435612928 429152702 /nfs/dbraw/zinc/15/27/02/429152702.db2.gz IBKHENFMPBWARA-QGZVFWFLSA-N 2 0 309.498 2.537 20 0 DFADRP CC(C)[C@H](NC(=O)CN(C)[C@@H]1CCC[NH2+]CC1)c1ccccc1 ZINC000435616965 429152757 /nfs/dbraw/zinc/15/27/57/429152757.db2.gz VCTSTLOFMFFYQY-MJGOQNOKSA-N 2 0 317.477 2.574 20 0 DFADRP C[N@H+](CCCc1nc(-c2ccccc2)no1)[C@@H]1CCC[NH2+]CC1 ZINC000435620351 429153021 /nfs/dbraw/zinc/15/30/21/429153021.db2.gz BHFQIZOELQRSAL-MRXNPFEDSA-N 2 0 314.433 2.743 20 0 DFADRP CCN(CC(=O)Nc1cc(C)cc(C)c1)[C@H]1CCC[NH2+]CC1 ZINC000435614619 429153891 /nfs/dbraw/zinc/15/38/91/429153891.db2.gz MYPAOXNVOOAZCO-KRWDZBQOSA-N 2 0 303.450 2.706 20 0 DFADRP CCn1c(CN(C)[C@H]2CCC[NH2+]CC2)nc2c1cccc2F ZINC000435613425 429153950 /nfs/dbraw/zinc/15/39/50/429153950.db2.gz BPKUCAYEFSGAHX-ZDUSSCGKSA-N 2 0 304.413 2.769 20 0 DFADRP CCn1c(CN(C)[C@@H]2CCC[NH2+]CC2)nc2c1cccc2F ZINC000435613421 429154042 /nfs/dbraw/zinc/15/40/42/429154042.db2.gz BPKUCAYEFSGAHX-CYBMUJFWSA-N 2 0 304.413 2.769 20 0 DFADRP CC[N@H+](CCC(=O)Nc1cccc(F)c1C)[C@H]1CCC[NH2+]CC1 ZINC000435626831 429155989 /nfs/dbraw/zinc/15/59/89/429155989.db2.gz LOIBDZNWGQONMH-HNNXBMFYSA-N 2 0 321.440 2.927 20 0 DFADRP C[C@H](CNC(=O)CC[C@@H]([NH3+])CC1CCCCC1)[N@H+](C)C1CC1 ZINC000424143226 429098488 /nfs/dbraw/zinc/09/84/88/429098488.db2.gz FNTNQDFFPMTFMQ-GDBMZVCRSA-N 2 0 309.498 2.663 20 0 DFADRP CCO[C@H](CC[NH+](C)C)C[NH2+]Cc1c(F)cc(C)cc1F ZINC000424143430 429098664 /nfs/dbraw/zinc/09/86/64/429098664.db2.gz JQOXCJORVQLFGW-CYBMUJFWSA-N 2 0 300.393 2.720 20 0 DFADRP C[C@@H]1C[C@@H](NC(=O)CC[C@H]([NH3+])CC2CCCCC2)CC[N@@H+]1C ZINC000424139054 429098871 /nfs/dbraw/zinc/09/88/71/429098871.db2.gz DVAPAQPXHNYHTQ-PVAVHDDUSA-N 2 0 309.498 2.663 20 0 DFADRP CCN(CC)C(=O)C[C@H](C)[NH2+][C@@H](CCC[NH3+])c1ccccc1 ZINC000423496887 429099823 /nfs/dbraw/zinc/09/98/23/429099823.db2.gz FSFVQWPAUDUBHL-RDJZCZTQSA-N 2 0 305.466 2.703 20 0 DFADRP CC(C)n1cncc1C[NH2+]CC1CCN(c2cc[nH+]cc2)CC1 ZINC000424154300 429100647 /nfs/dbraw/zinc/10/06/47/429100647.db2.gz JNBNWDYWUUPUOU-UHFFFAOYSA-N 2 0 313.449 2.865 20 0 DFADRP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+][C@@H]2CC[C@@H](C[NH3+])C2)CC1 ZINC000423503274 429101003 /nfs/dbraw/zinc/10/10/03/429101003.db2.gz KIKMGCKFMKNSBU-YVWKXTFCSA-N 3 0 315.505 2.799 20 0 DFADRP [NH3+][C@H](CCC(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1)CC1CCCCC1 ZINC000424155408 429101183 /nfs/dbraw/zinc/10/11/83/429101183.db2.gz NWARUAUTRTUGES-BSDSXHPESA-N 2 0 321.509 2.650 20 0 DFADRP CC[C@H](c1ccc(C(=O)OC)cc1)[N@@H+]1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000423505223 429101828 /nfs/dbraw/zinc/10/18/28/429101828.db2.gz GRXUVYZEPIZDFU-MZMPZRCHSA-N 2 0 304.434 2.841 20 0 DFADRP COc1ccc([C@H](C)[NH2+]C2CCC([NH+]3CCNCC3)CC2)cc1 ZINC000423499465 429102296 /nfs/dbraw/zinc/10/22/96/429102296.db2.gz AYVUCJXCTUGSGP-ZLPCBKJTSA-N 2 0 317.477 2.562 20 0 DFADRP C[C@H]([C@H]1CC[N@H+](Cc2ccccc2)C1)N1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000423508254 429103213 /nfs/dbraw/zinc/10/32/13/429103213.db2.gz KNXMTTWNYULCMN-IZBJGVDFSA-N 2 0 315.505 2.814 20 0 DFADRP C[C@@H]1CN([C@@H]2CC[N@H+](C)[C@H](c3ccccc3)C2)C[C@@]1(C)C[NH3+] ZINC000423515333 429106034 /nfs/dbraw/zinc/10/60/34/429106034.db2.gz VEZRBWUDNWMPGL-OQIJWPOYSA-N 3 0 301.478 2.739 20 0 DFADRP C1CC1[C@@H]([NH2+]C1CCC([NH+]2CCNCC2)CC1)C1CCCC1 ZINC000423514265 429106160 /nfs/dbraw/zinc/10/61/60/429106160.db2.gz SSUPWTGHXDIWDV-ACBHZAAOSA-N 2 0 305.510 2.761 20 0 DFADRP C1CC1[C@H]([NH2+]C1CCC([NH+]2CCNCC2)CC1)C1CCCC1 ZINC000423514266 429107325 /nfs/dbraw/zinc/10/73/25/429107325.db2.gz SSUPWTGHXDIWDV-CTWPCTMYSA-N 2 0 305.510 2.761 20 0 DFADRP C[C@H]([NH2+]CCC[NH2+]C1CC1)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000423533368 429111214 /nfs/dbraw/zinc/11/12/14/429111214.db2.gz XNAJBHWKDQXBBQ-LBPRGKRZSA-N 2 0 301.434 2.709 20 0 DFADRP C[C@@H]([NH2+]CCC[NH2+]C1CC1)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000423533367 429111223 /nfs/dbraw/zinc/11/12/23/429111223.db2.gz XNAJBHWKDQXBBQ-GFCCVEGCSA-N 2 0 301.434 2.709 20 0 DFADRP C[C@H]1CC2(C[N@@H+]1CCC(=O)Nc1ccc(F)cc1)CC[NH2+]CC2 ZINC000424287039 429119924 /nfs/dbraw/zinc/11/99/24/429119924.db2.gz IGBHFXRLGCQPQR-AWEZNQCLSA-N 2 0 319.424 2.618 20 0 DFADRP CC(C)CCC[C@H](C)NC(=O)C[N@@H+]1CC2(C[C@@H]1C)CC[NH2+]CC2 ZINC000424297389 429120634 /nfs/dbraw/zinc/12/06/34/429120634.db2.gz SNIJMYNOXHGBIQ-IRXDYDNUSA-N 2 0 323.525 2.781 20 0 DFADRP C[C@H](N[C@@H]1CCc2nccn2C1)c1nc(Cc2ccccc2)no1 ZINC000376493263 429121493 /nfs/dbraw/zinc/12/14/93/429121493.db2.gz VLDAODDREHBZQY-DZGCQCFKSA-N 2 0 323.400 2.523 20 0 DFADRP CO[C@H]1C[C@H]2C[C@H]([NH2+]CCCC[N@H+]3C[C@@H](C)O[C@@H](C)C3)C[C@H]2C1 ZINC000424306489 429123104 /nfs/dbraw/zinc/12/31/04/429123104.db2.gz VMYRFYYPFAMZOF-KPFGOTRDSA-N 2 0 324.509 2.669 20 0 DFADRP [NH3+]C[C@H](C[N@@H+]1CCCC[C@H]1c1cn[nH]c1)c1ccc(F)cc1 ZINC000424305451 429123124 /nfs/dbraw/zinc/12/31/24/429123124.db2.gz SIHGJTOHKPTYBP-PBHICJAKSA-N 2 0 302.397 2.818 20 0 DFADRP Cc1ccc(C)c(NC(=O)C[N@H+]2CC3(C[C@@H]2C)CC[NH2+]CC3)c1 ZINC000424302560 429123237 /nfs/dbraw/zinc/12/32/37/429123237.db2.gz ZXFMTWWORBCIMT-INIZCTEOSA-N 2 0 315.461 2.706 20 0 DFADRP Cn1cc([C@@H]2CN(Cc3csc4ccccc34)C[C@H]2[NH3+])cn1 ZINC000424300913 429123719 /nfs/dbraw/zinc/12/37/19/429123719.db2.gz VEHILUXPSZAXOV-JKSUJKDBSA-N 2 0 312.442 2.562 20 0 DFADRP CC[NH+](CC)C[C@H]1CCCC[C@H]1[NH2+]C1CC(CC(=O)OC)C1 ZINC000424321540 429127085 /nfs/dbraw/zinc/12/70/85/429127085.db2.gz ULIXNPMVBPOUAC-MNAZLIDISA-N 2 0 310.482 2.818 20 0 DFADRP FC(F)(F)c1ccc(OCCN(C2CC2)[C@@H]2CC[NH2+]C2)cc1 ZINC000435230777 429127377 /nfs/dbraw/zinc/12/73/77/429127377.db2.gz RKIFWAONBBFBSK-CQSZACIVSA-N 2 0 314.351 2.911 20 0 DFADRP [NH3+][C@@H]1CCCC[C@H]1N[C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]12 ZINC000424370581 429131170 /nfs/dbraw/zinc/13/11/70/429131170.db2.gz DRFPCZVZFDQXRZ-USYVTKNRSA-N 2 0 313.489 2.757 20 0 DFADRP CC(=O)Nc1ccc(C[N@H+]2CC3(C[C@H]2C)CC[NH2+]CC3)cc1 ZINC000424368518 429132282 /nfs/dbraw/zinc/13/22/82/429132282.db2.gz AFUFGRNBMRKITD-CQSZACIVSA-N 2 0 301.434 2.609 20 0 DFADRP C[C@H]1CC2(C[N@@H+]1Cc1cnc([C@H]3CCCO3)s1)CC[NH2+]CC2 ZINC000424370445 429132497 /nfs/dbraw/zinc/13/24/97/429132497.db2.gz CHURAPSMLUVGIT-DZGCQCFKSA-N 2 0 321.490 2.959 20 0 DFADRP COCCOc1ccccc1C[N@@H+]1CC2(C[C@H]1C)CC[NH2+]CC2 ZINC000424386119 429132782 /nfs/dbraw/zinc/13/27/82/429132782.db2.gz WWYFORCXNCTMNR-MRXNPFEDSA-N 2 0 318.461 2.676 20 0 DFADRP C[C@@H]1CC2(C[N@@H+]1Cc1cc(-n3ccnc3)cs1)CC[NH2+]CC2 ZINC000424380071 429134219 /nfs/dbraw/zinc/13/42/19/429134219.db2.gz PGPAQKTWJZMBCE-CQSZACIVSA-N 2 0 316.474 2.898 20 0 DFADRP CCOC(=O)CC(C)(C)CC[N@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000376555103 429136411 /nfs/dbraw/zinc/13/64/11/429136411.db2.gz UIKKDKQKNBSGDO-XYPWUTKMSA-N 2 0 310.482 2.913 20 0 DFADRP CC[N@H+](Cc1cc(OC)c(OC)cc1C)[C@@H]1CCC[NH2+]CC1 ZINC000435381719 429136554 /nfs/dbraw/zinc/13/65/54/429136554.db2.gz VKLPNBQWCWWMCI-MRXNPFEDSA-N 2 0 306.450 2.976 20 0 DFADRP Cc1ccc(-c2n[nH]cc2C[N@@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)o1 ZINC000435377808 429136757 /nfs/dbraw/zinc/13/67/57/429136757.db2.gz FKJQGFINFPEXRP-QEJZJMRPSA-N 2 0 300.406 2.537 20 0 DFADRP Cc1nn(-c2ccc(Cl)cc2)c(C)c1C[N@@H+]1CC[C@H](C[NH3+])C1 ZINC000435389859 429137068 /nfs/dbraw/zinc/13/70/68/429137068.db2.gz OUYHCVKNXVFQIN-CQSZACIVSA-N 2 0 318.852 2.923 20 0 DFADRP COc1cc2[nH+]ccc(N[C@H](C)[C@@H](C)[NH3+])c2cc1Br ZINC000424415024 429137468 /nfs/dbraw/zinc/13/74/68/429137468.db2.gz RUKGIJYVKGWTNN-RKDXNWHRSA-N 2 0 324.222 2.575 20 0 DFADRP [NH3+]C[C@@H]1CC[N@H+](Cc2ccc(-n3ccc(C(F)(F)F)n3)cc2)C1 ZINC000435395740 429139919 /nfs/dbraw/zinc/13/99/19/429139919.db2.gz RKWJPQBBDDSWDC-ZDUSSCGKSA-N 2 0 324.350 2.672 20 0 DFADRP CC(C)OCC[N@@H+]1CCC2(C1)CC[NH+](CCOC(C)C)CC2 ZINC000364082940 429167145 /nfs/dbraw/zinc/16/71/45/429167145.db2.gz UDJODZJNWUMWHB-UHFFFAOYSA-N 2 0 312.498 2.624 20 0 DFADRP CC[N@@H+]1CC[C@@H](C[NH2+]C2CCC(O)(c3ccccc3)CC2)C1 ZINC000364075450 429167612 /nfs/dbraw/zinc/16/76/12/429167612.db2.gz RVVAYOMAPHJEHY-IVMQYODDSA-N 2 0 302.462 2.748 20 0 DFADRP O=C1CC[C@H]([NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)c2cc(F)ccc2N1 ZINC000364941899 275018239 /nfs/dbraw/zinc/01/82/39/275018239.db2.gz QCCFHYCHCXCFNN-WBMJQRKESA-N 2 0 317.408 2.673 20 0 DFADRP c1cc(C[N@@H+](C[C@@H]2CCOC2)[C@H]2CC23CC[NH2+]CC3)cs1 ZINC000435694976 429159420 /nfs/dbraw/zinc/15/94/20/429159420.db2.gz MUOJKHIPZUAOEU-HOCLYGCPSA-N 2 0 306.475 2.729 20 0 DFADRP C[NH+](C)C1CCN(CC[NH2+][C@H]2CS[C@@H](C(C)(C)C)C2)CC1 ZINC000488586238 429186240 /nfs/dbraw/zinc/18/62/40/429186240.db2.gz VJMBEQDBONGGLO-GDBMZVCRSA-N 2 0 313.555 2.522 20 0 DFADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1[NH2+]C1CC(O)(Cc2cccc(F)c2)C1 ZINC000364477542 429211345 /nfs/dbraw/zinc/21/13/45/429211345.db2.gz ANJTVNHDKHGORZ-MIEGEWAJSA-N 2 0 320.452 2.580 20 0 DFADRP CC[C@H](C(=O)N[C@H](C[NH+](C)C)c1ccc(F)cc1)[NH+](CC)CC ZINC000488888667 429204895 /nfs/dbraw/zinc/20/48/95/429204895.db2.gz IXZCOBKWSQJFQM-IAGOWNOFSA-N 2 0 323.456 2.665 20 0 DFADRP CC[NH+](CC)CCC[N@H+](C)C1CCN(CC(F)(F)F)CC1 ZINC000445255290 429284264 /nfs/dbraw/zinc/28/42/64/429284264.db2.gz SKPQSWDDSMSQKH-UHFFFAOYSA-N 2 0 309.420 2.677 20 0 DFADRP CCCC[N@H+](C)CC1CC[NH+]([C@H]2CCN(C(C)(C)C)C2=O)CC1 ZINC000425407114 429287910 /nfs/dbraw/zinc/28/79/10/429287910.db2.gz OAZUNOGDSFGBMC-KRWDZBQOSA-N 2 0 323.525 2.830 20 0 DFADRP CC(C)N(C)C[C@H](C)[NH2+][C@@H](C)C1CN(C(=O)OC(C)(C)C)C1 ZINC000495619275 429233298 /nfs/dbraw/zinc/23/32/98/429233298.db2.gz OOOSHHZTIDHIIB-KBPBESRZSA-N 2 0 313.486 2.560 20 0 DFADRP CC[NH+](CC)CCC[NH2+]C1CCN(C(=O)OCC(C)C)CC1 ZINC000495616811 429233953 /nfs/dbraw/zinc/23/39/53/429233953.db2.gz GPIBFADPHUXGFF-UHFFFAOYSA-N 2 0 313.486 2.565 20 0 DFADRP CCN1CCCC[C@@H]1C[NH2+]C1CCN(c2nccs2)CC1 ZINC000364680665 429248246 /nfs/dbraw/zinc/24/82/46/429248246.db2.gz ARVQXDROGXARNY-OAHLLOKOSA-N 2 0 308.495 2.576 20 0 DFADRP CCCc1noc(CN2CC[C@H](CNc3cc(C)cc[nH+]3)C2)n1 ZINC000364729518 429257056 /nfs/dbraw/zinc/25/70/56/429257056.db2.gz XVONADHEJYWTAX-CQSZACIVSA-N 2 0 315.421 2.660 20 0 DFADRP CC[C@H]1C[N@H+](CC)CCN1C(=O)[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC000456368121 429289647 /nfs/dbraw/zinc/28/96/47/429289647.db2.gz DUDDMBVDPLGDIK-SJORKVTESA-N 2 0 321.509 2.584 20 0 DFADRP C[NH+](C)C1CCC([NH2+]CC(C)(C)NC(=O)OC(C)(C)C)CC1 ZINC000495750972 429259407 /nfs/dbraw/zinc/25/94/07/429259407.db2.gz UVBJJEPJTPDLSV-UHFFFAOYSA-N 2 0 313.486 2.752 20 0 DFADRP C[NH+]1CCC(CC[NH2+]Cc2cnc(C(F)(F)F)s2)CC1 ZINC000443983688 429260638 /nfs/dbraw/zinc/26/06/38/429260638.db2.gz WQGLFBJZEQVYMC-UHFFFAOYSA-N 2 0 307.385 2.983 20 0 DFADRP Cc1ncc(CN2CC[C@H]([NH2+]C[C@H]3CCC=CO3)[C@H](C)C2)s1 ZINC000364764664 429263114 /nfs/dbraw/zinc/26/31/14/429263114.db2.gz PHOBSRHZWNFSID-UNEWFSDZSA-N 2 0 321.490 2.944 20 0 DFADRP CC[N@H+](CN1C[C@@]2(C[NH+]3CCC2CC3)OC1=O)C1CCCCC1 ZINC000495858984 429281571 /nfs/dbraw/zinc/28/15/71/429281571.db2.gz NEQKFVXMGXTRIW-GOSISDBHSA-N 2 0 321.465 2.515 20 0 DFADRP CSCC1CCC([NH2+]C2CCN(CC[NH+](C)C)CC2)CC1 ZINC000449071155 429323504 /nfs/dbraw/zinc/32/35/04/429323504.db2.gz AJPDVZJFBWTLKJ-UHFFFAOYSA-N 2 0 313.555 2.524 20 0 DFADRP Cc1ccccc1[C@@H]([NH3+])C(=O)NCC1([NH+](C)C)CCCCCC1 ZINC000449071882 429323598 /nfs/dbraw/zinc/32/35/98/429323598.db2.gz CHBLQMLNSAJPCY-QGZVFWFLSA-N 2 0 317.477 2.766 20 0 DFADRP Cc1ccccc1[C@H]([NH3+])C(=O)NCCCC[NH+]1CCC(C)CC1 ZINC000449083354 429327185 /nfs/dbraw/zinc/32/71/85/429327185.db2.gz BLPBEWKZLSPHRX-SFHVURJKSA-N 2 0 317.477 2.623 20 0 DFADRP CC[NH+]1CCN([C@H](C)C[NH2+]Cc2cccc3ccoc32)CC1 ZINC000449080719 429327339 /nfs/dbraw/zinc/32/73/39/429327339.db2.gz YQAWWSDOICMYHG-OAHLLOKOSA-N 2 0 301.434 2.548 20 0 DFADRP COC[C@H](C)C[NH2+]C1CC[NH+]([C@H](C)Cc2ccccc2)CC1 ZINC000449104823 429332160 /nfs/dbraw/zinc/33/21/60/429332160.db2.gz GMFRFDCFSHQACM-IAGOWNOFSA-N 2 0 304.478 2.954 20 0 DFADRP CCC[NH2+][C@H](C)C(=O)NC[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000449106752 429332522 /nfs/dbraw/zinc/33/25/22/429332522.db2.gz JKFIUEQAMOGMSD-SJLPKXTDSA-N 2 0 317.477 2.545 20 0 DFADRP C[NH2+][C@@H](CC(C)(C)C)C(=O)NC[C@@H]([NH3+])c1ccc(C(C)C)cc1 ZINC000449107606 429334065 /nfs/dbraw/zinc/33/40/65/429334065.db2.gz MZXJAFZHKZCSHQ-SJORKVTESA-N 2 0 319.493 2.950 20 0 DFADRP Cc1nc(CN2CCC(C[NH2+][C@@H]3CSC[C@H]3C)CC2)oc1C ZINC000449120310 429337407 /nfs/dbraw/zinc/33/74/07/429337407.db2.gz CMJMNSVGDFYRKW-MLGOLLRUSA-N 2 0 323.506 2.845 20 0 DFADRP C[C@@H](Cc1ccccc1)[NH+]1CCC([NH2+][C@H]2CCCOC2)CC1 ZINC000449121461 429339015 /nfs/dbraw/zinc/33/90/15/429339015.db2.gz HURDSTYXXVIMNB-LPHOPBHVSA-N 2 0 302.462 2.851 20 0 DFADRP OCC[NH+]1CCC(C[NH2+]Cc2cc(Cl)sc2Cl)CC1 ZINC000449124457 429339285 /nfs/dbraw/zinc/33/92/85/429339285.db2.gz QKMHGUINGDZJKM-UHFFFAOYSA-N 2 0 323.289 2.849 20 0 DFADRP CCC[C@@H]([NH2+]CCC[N@@H+]1CCC[C@H](C(N)=O)C1)C1CCCC1 ZINC000449133952 429340711 /nfs/dbraw/zinc/34/07/11/429340711.db2.gz GBYKWEDKGIUKID-DLBZAZTESA-N 2 0 309.498 2.522 20 0 DFADRP CC(C)C[NH+]1CCC([NH2+]C2CCN(CC(F)(F)F)CC2)CC1 ZINC000177835987 275570686 /nfs/dbraw/zinc/57/06/86/275570686.db2.gz QCUJIVFYOWSVGW-UHFFFAOYSA-N 2 0 321.431 2.723 20 0 DFADRP CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)C[C@@H]1CCCC[C@H]1[NH3+] ZINC000449338244 429393032 /nfs/dbraw/zinc/39/30/32/429393032.db2.gz UOUCQIZCJAHWFX-GVDBMIGSSA-N 2 0 309.498 2.665 20 0 DFADRP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1NC(=O)C[C@H]1CCCC[C@H]1[NH3+] ZINC000449355971 429396656 /nfs/dbraw/zinc/39/66/56/429396656.db2.gz ATECVBUNZKWIDI-XDNAFOTISA-N 2 0 323.525 2.911 20 0 DFADRP CCCC[N@H+](C)C[C@H](C)NC(=O)c1ccccc1C[NH+](C)C ZINC000426500966 429397570 /nfs/dbraw/zinc/39/75/70/429397570.db2.gz PZIVBBYZEVKJPH-HNNXBMFYSA-N 2 0 305.466 2.598 20 0 DFADRP OCC1([NH2+]C2CC[NH+](CC3CC3)CC2)C2CC3CC(C2)CC1C3 ZINC000517891452 429402781 /nfs/dbraw/zinc/40/27/81/429402781.db2.gz BTPCYUZAPFEGDC-UHFFFAOYSA-N 2 0 318.505 2.638 20 0 DFADRP C[C@H]1C[C@@H]([NH2+]Cc2cn(C)nc2-c2ccc(F)cc2)CC[N@@H+]1C ZINC000449170908 429348981 /nfs/dbraw/zinc/34/89/81/429348981.db2.gz JIKSZHDESGZZLN-GUYCJALGSA-N 2 0 316.424 2.799 20 0 DFADRP C[N@@H+]1CCN(CC[NH2+]Cc2ccc3c(c2)CCCC3)CC1(C)C ZINC000491348263 429349914 /nfs/dbraw/zinc/34/99/14/429349914.db2.gz RNMVHAHQMQHLJU-UHFFFAOYSA-N 2 0 315.505 2.681 20 0 DFADRP CO[C@@H](C[NH2+]Cc1cc(C2CC[NH2+]CC2)no1)c1ccccc1 ZINC000425903827 429350290 /nfs/dbraw/zinc/35/02/90/429350290.db2.gz WUEYKOLVXPEEGD-SFHVURJKSA-N 2 0 315.417 2.619 20 0 DFADRP Fc1cccc(CC[NH2+]Cc2cc(C3CC[NH2+]CC3)no2)c1F ZINC000425904682 429350424 /nfs/dbraw/zinc/35/04/24/429350424.db2.gz ZOSDJTYOIXPLQZ-UHFFFAOYSA-N 2 0 321.371 2.752 20 0 DFADRP CC[NH+](CC)CCC[C@@H](C)[NH2+]Cc1cc(C2CC[NH2+]CC2)no1 ZINC000425903381 429350592 /nfs/dbraw/zinc/35/05/92/429350592.db2.gz VZJWHVJYYRGKDS-OAHLLOKOSA-N 3 0 322.497 2.742 20 0 DFADRP COCC1CCC([NH2+]C2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)CC1 ZINC000449181542 429351489 /nfs/dbraw/zinc/35/14/89/429351489.db2.gz ABJAIHZGWOJDNF-HWMSQKFYSA-N 2 0 324.509 2.549 20 0 DFADRP CC[N@@H+]1CCC[C@H](C[NH2+][C@@H]2CCc3c(cccc3OC)C2)C1 ZINC000425945418 429353424 /nfs/dbraw/zinc/35/34/24/429353424.db2.gz QPFJXFBIWHUXRK-NVXWUHKLSA-N 2 0 302.462 2.874 20 0 DFADRP C[C@@H](O)CCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000366024232 429409736 /nfs/dbraw/zinc/40/97/36/429409736.db2.gz KZTJKSZOCQADPN-BPIHKTFHSA-N 2 0 302.462 2.933 20 0 DFADRP O=C(NC1CC[NH+](C2CCCCC2)CC1)[C@@H]1CCC[N@@H+]1C1CC1 ZINC000426704058 429409767 /nfs/dbraw/zinc/40/97/67/429409767.db2.gz PAPLFNSMTMYIQV-SFHVURJKSA-N 2 0 319.493 2.527 20 0 DFADRP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+][C@H]2C[C@H](O)C2(C)C)CC1 ZINC000449256017 429366632 /nfs/dbraw/zinc/36/66/32/429366632.db2.gz BMQRKJBKAJAYLN-MNEFBYGVSA-N 2 0 316.489 2.831 20 0 DFADRP Cc1ccc(C[NH2+]C[C@@H](C)C[NH+](C)C)c(-c2ccnn2C)c1 ZINC000491542358 429372218 /nfs/dbraw/zinc/37/22/18/429372218.db2.gz CSEQVLJEXFVRPA-OAHLLOKOSA-N 2 0 300.450 2.683 20 0 DFADRP C[C@H]([NH2+]CC1CC[NH+](CCc2ccccc2)CC1)[C@@H]1CCOC1 ZINC000366238267 429438974 /nfs/dbraw/zinc/43/89/74/429438974.db2.gz OCLNFRCDTVCODC-FXAWDEMLSA-N 2 0 316.489 2.956 20 0 DFADRP CC(C)[C@H](CNC(=O)C[C@H]1CCC[NH2+]CC1)[NH+]1CCC(C)CC1 ZINC000427328984 429443683 /nfs/dbraw/zinc/44/36/83/429443683.db2.gz JDYQJGLQHYLRQT-ROUUACIJSA-N 2 0 323.525 2.639 20 0 DFADRP CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)C[C@H]2CCC[NH2+]CC2)C1 ZINC000427294464 429444538 /nfs/dbraw/zinc/44/45/38/429444538.db2.gz ITZXTSSOFKVFIX-IRXDYDNUSA-N 2 0 323.525 2.783 20 0 DFADRP C[C@H](CC(=O)Nc1ccc(F)cc1)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000449562030 429450402 /nfs/dbraw/zinc/45/04/02/429450402.db2.gz ZKAZWYJIWXAFKQ-FCLXEUQJSA-N 2 0 319.424 2.758 20 0 DFADRP CC(C)[N@@H+](C)C[C@@H](C)NC(=O)[C@@H]1CCCC[NH+]1C1CCCC1 ZINC000427483159 429453654 /nfs/dbraw/zinc/45/36/54/429453654.db2.gz BXEQHDUWTHHHGB-WBVHZDCISA-N 2 0 309.498 2.628 20 0 DFADRP C[C@@H](Cc1ccccc1)[NH+]1CCC([NH2+]CCC2(CO)CC2)CC1 ZINC000449581026 429453796 /nfs/dbraw/zinc/45/37/96/429453796.db2.gz WLDIMIYKAFMYMR-KRWDZBQOSA-N 2 0 316.489 2.834 20 0 DFADRP CC(C)[C@H]1OCC[C@H]1C[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000297691296 275717017 /nfs/dbraw/zinc/71/70/17/275717017.db2.gz PWEKEJJNNAKFFK-MAUKXSAKSA-N 2 0 303.450 2.701 20 0 DFADRP CC[C@H]([NH2+]C1CC[NH+](C2CCCCC2)CC1)[C@@H](O)C(F)F ZINC000449425053 429414358 /nfs/dbraw/zinc/41/43/58/429414358.db2.gz QXFCAMKPWNDSEG-LSDHHAIUSA-N 2 0 304.425 2.778 20 0 DFADRP CC[C@@](C)(C[NH2+]Cc1nc2c(s1)CN(C(C)C)CC2)OC ZINC000449476424 429429456 /nfs/dbraw/zinc/42/94/56/429429456.db2.gz MXKGHVUOMSMWAI-INIZCTEOSA-N 2 0 311.495 2.814 20 0 DFADRP CCCC[N@@H+]1CCCC[C@H]1CNC(=O)[C@H](CCC)[NH2+]C(C)C ZINC000491900259 429430966 /nfs/dbraw/zinc/43/09/66/429430966.db2.gz DMXMVYZOZCWSOK-IRXDYDNUSA-N 2 0 311.514 2.924 20 0 DFADRP CC[C@@H]1C[C@H]1C[NH2+]Cc1ccccc1N1CC[NH+](CC)CC1 ZINC000449483041 429431196 /nfs/dbraw/zinc/43/11/96/429431196.db2.gz FWKFNYYOJDBKID-AEFFLSMTSA-N 2 0 301.478 2.964 20 0 DFADRP COc1cc(CN2CC[C@@H]3[NH2+]CC[C@@H]3C2)ccc1OC(C)C ZINC000427101634 429431339 /nfs/dbraw/zinc/43/13/39/429431339.db2.gz PVPFEKYUXHPGEA-CVEARBPZSA-N 2 0 304.434 2.666 20 0 DFADRP COCCC[C@H](C)[NH2+]C[C@@H]1CCCN(Cc2cccnc2)C1 ZINC000366219724 429436875 /nfs/dbraw/zinc/43/68/75/429436875.db2.gz STUJJPOGHXTRHB-WMZOPIPTSA-N 2 0 305.466 2.698 20 0 DFADRP Cc1cn2c(CN3CC[C@@]4(CC[N@@H+](C)C4)C3)c(C)nc2s1 ZINC000366537171 429472989 /nfs/dbraw/zinc/47/29/89/429472989.db2.gz VTNVSSUMNFBJGG-MRXNPFEDSA-N 2 0 304.463 2.540 20 0 DFADRP [NH3+]CCC1CC[NH+](Cc2cnn(-c3ccc(F)cc3)c2)CC1 ZINC000519756848 429485483 /nfs/dbraw/zinc/48/54/83/429485483.db2.gz FLPDPKUVDINIHB-UHFFFAOYSA-N 2 0 302.397 2.572 20 0 DFADRP Cc1cc(C)n(-c2ccc(C[N@@H+]3CC[C@@H]4[NH2+]CC[C@@H]4C3)cc2)n1 ZINC000428041065 429486430 /nfs/dbraw/zinc/48/64/30/429486430.db2.gz NLRAECARMOILHD-MJGOQNOKSA-N 2 0 310.445 2.673 20 0 DFADRP O[C@H](C[NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]12)C1CCC1 ZINC000449738995 429492968 /nfs/dbraw/zinc/49/29/68/429492968.db2.gz HSLPLJHOUAHXJJ-UAFMIMERSA-N 2 0 314.473 2.648 20 0 DFADRP C[N@H+](Cc1ccccc1)CC(C)(C)C[NH2+]C[C@@H](O)C1CCC1 ZINC000449738977 429493340 /nfs/dbraw/zinc/49/33/40/429493340.db2.gz HOQRADQPWRVFJK-GOSISDBHSA-N 2 0 304.478 2.895 20 0 DFADRP [NH3+][C@H]1CCC[C@H]([NH2+]CCOc2ccccc2C(F)(F)F)C1 ZINC000519833202 429493964 /nfs/dbraw/zinc/49/39/64/429493964.db2.gz BPPHHLUWBKDQPK-RYUDHWBXSA-N 2 0 302.340 2.944 20 0 DFADRP CC[NH+]1CCN(CC(C)(C)[NH2+]Cc2ccc(Cl)s2)CC1 ZINC000449751353 429497396 /nfs/dbraw/zinc/49/73/96/429497396.db2.gz KZSFBKIXMMURII-UHFFFAOYSA-N 2 0 315.914 2.907 20 0 DFADRP COC[C@@H]([NH2+]C1CC[NH+](C2CCCCC2)CC1)[C@@H]1CCCO1 ZINC000366728053 429501866 /nfs/dbraw/zinc/50/18/66/429501866.db2.gz GWUWANAGYBCREC-MSOLQXFVSA-N 2 0 310.482 2.567 20 0 DFADRP CC(C)C[C@H](CNc1cc[nH+]c2ccccc12)[NH+]1CCOCC1 ZINC000520308748 429510105 /nfs/dbraw/zinc/51/01/05/429510105.db2.gz HCHVPNRKAUIGCE-MRXNPFEDSA-N 2 0 313.445 2.816 20 0 DFADRP Cc1cnc([C@H](C)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cn1 ZINC000428386422 429516109 /nfs/dbraw/zinc/51/61/09/429516109.db2.gz DKROMDBRJMMTAU-RLFYNMQTSA-N 2 0 300.450 2.795 20 0 DFADRP CC[NH+](CC)CCCN1CCC[C@@H]1c1ccc(CNC(C)=O)o1 ZINC000366814080 429518944 /nfs/dbraw/zinc/51/89/44/429518944.db2.gz XYUSKJWVUNQLLJ-QGZVFWFLSA-N 2 0 321.465 2.785 20 0 DFADRP Cc1cc(C)cc(C[N@@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@H](C)C2)c1 ZINC000367032539 429561539 /nfs/dbraw/zinc/56/15/39/429561539.db2.gz ZWYZTBIUHDXZQA-UYAOXDASSA-N 2 0 315.505 2.761 20 0 DFADRP Cc1nccn1CCCC[N@H+]1CCN([C@@H]2C[C@H]2C)C[C@H](C)C1 ZINC000429024184 429573789 /nfs/dbraw/zinc/57/37/89/429573789.db2.gz WSTYBVQHHNFATJ-JFIYKMOQSA-N 2 0 304.482 2.634 20 0 DFADRP Cc1ccc(-c2nnc(CN3CC[C@]4(CC[N@@H+](C)C4)C3)o2)cc1 ZINC000429021782 429574909 /nfs/dbraw/zinc/57/49/09/429574909.db2.gz QGVHTKVWCPFYBU-SFHVURJKSA-N 2 0 312.417 2.573 20 0 DFADRP O[C@@H]1CCCC[C@H]1[NH2+]CC1CC[NH+](Cc2cccs2)CC1 ZINC000522014333 429576629 /nfs/dbraw/zinc/57/66/29/429576629.db2.gz SHDCODSWIMSGOC-IAGOWNOFSA-N 2 0 308.491 2.853 20 0 DFADRP CC[N@H+](C)[C@@H](C(=O)NCC[C@@H]1CCC[NH+](C)C1)c1ccccc1 ZINC000458160444 429588081 /nfs/dbraw/zinc/58/80/81/429588081.db2.gz GBELNRQOJJRCSN-FUHWJXTLSA-N 2 0 317.477 2.528 20 0 DFADRP C[NH+](C)CC1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)CC1 ZINC000449930280 429538850 /nfs/dbraw/zinc/53/88/50/429538850.db2.gz LKWNOVKFEXLPGB-SFHVURJKSA-N 2 0 321.509 2.584 20 0 DFADRP Cc1nc(CO[C@H]2CCN(CCC[NH+]3CCCCC3)C2)cs1 ZINC000366916137 429539438 /nfs/dbraw/zinc/53/94/38/429539438.db2.gz LYESXTLGNSPUKW-KRWDZBQOSA-N 2 0 323.506 2.918 20 0 DFADRP C[C@H]([NH2+]C1CC1)C(=O)N1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000521252591 429544515 /nfs/dbraw/zinc/54/45/15/429544515.db2.gz KSKOELNWBDMTDK-CVEARBPZSA-N 2 0 321.509 2.630 20 0 DFADRP CC(C)[N@@H+]1CCCC[C@H]1CN1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000450452242 429629024 /nfs/dbraw/zinc/62/90/24/429629024.db2.gz LUOHURXNEWLCRF-OALUTQOASA-N 2 0 307.526 2.913 20 0 DFADRP CC1CCC([NH+]2CCC(N(C)C(=O)[C@@H]3CCC[C@@H]3[NH3+])CC2)CC1 ZINC000370768142 275929563 /nfs/dbraw/zinc/92/95/63/275929563.db2.gz YPDOZCFEJTUJBQ-SYNTWQANSA-N 2 0 321.509 2.615 20 0 DFADRP CC[NH+](CC)CCO[C@H]1CC[N@H+](C[C@H]2CCC(F)(F)C2)C1 ZINC000450454981 429632231 /nfs/dbraw/zinc/63/22/31/429632231.db2.gz PMTJNSMGHUNWSG-GJZGRUSLSA-N 2 0 304.425 2.855 20 0 DFADRP CCC[N@H+](C)C[C@@H]1CC[NH+](C[C@@H](O)[C@@H](C)c2ccccc2)C1 ZINC000450463780 429633784 /nfs/dbraw/zinc/63/37/84/429633784.db2.gz SAZDGQOLVGESAR-JENIJYKNSA-N 2 0 304.478 2.815 20 0 DFADRP CC[N@@H+]1CC[C@@H](N(C)CC[NH+](C)Cc2ccccc2)C[C@H]1C ZINC000450465273 429634528 /nfs/dbraw/zinc/63/45/28/429634528.db2.gz DUYGNCQERDBMGW-IEBWSBKVSA-N 2 0 303.494 2.923 20 0 DFADRP CCC[NH+]1CCC([N@H+](C)C[C@@H](O)[C@@H](C)c2ccccc2)CC1 ZINC000450471604 429636230 /nfs/dbraw/zinc/63/62/30/429636230.db2.gz WIRGCNQSBLCVQF-QFBILLFUSA-N 2 0 304.478 2.957 20 0 DFADRP O=C1CC[C@@H]([NH2+]C2CC[NH+](C3CCCCC3)CC2)C2(CCC2)N1 ZINC000367263589 429607782 /nfs/dbraw/zinc/60/77/82/429607782.db2.gz FGIWULPQAMTNSQ-QGZVFWFLSA-N 2 0 319.493 2.574 20 0 DFADRP CC[N@H+](C)C[C@@H]1CCN(c2ncnc3[nH]c4ccccc4c32)C1 ZINC000450360229 429609555 /nfs/dbraw/zinc/60/95/55/429609555.db2.gz KBUQEPVDZSRGPJ-ZDUSSCGKSA-N 2 0 309.417 2.889 20 0 DFADRP C[C@@H]([NH3+])c1ccc(CNC(=O)c2cccc(C[NH+](C)C)c2)cc1 ZINC000429483087 429610985 /nfs/dbraw/zinc/61/09/85/429610985.db2.gz JTMBSKNLJVOJQE-CQSZACIVSA-N 2 0 311.429 2.698 20 0 DFADRP C[C@H]([NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1)c1cccc(-n2ccnn2)c1 ZINC000367490185 429658733 /nfs/dbraw/zinc/65/87/33/429658733.db2.gz NIGVBDWMGNRWNW-USXIJHARSA-N 2 0 311.433 2.545 20 0 DFADRP Cc1cccc(C)c1C[N@H+]1CC[C@@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000525686440 429667892 /nfs/dbraw/zinc/66/78/92/429667892.db2.gz YTFNQTXOOXZLDJ-LJQANCHMSA-N 2 0 315.505 2.904 20 0 DFADRP CCC[C@H]([NH2+]C(C)C)C(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccccc1 ZINC000355232865 276044155 /nfs/dbraw/zinc/04/41/55/276044155.db2.gz HJXUQNZMEHHWKU-BZSNNMDCSA-N 2 0 317.477 2.715 20 0 DFADRP CC[N@H+](CC(=O)N[C@@H](C[NH+](C)C)c1ccc(Cl)cc1)C1CC1 ZINC000282785461 276084434 /nfs/dbraw/zinc/08/44/34/276084434.db2.gz FMQYYRIIGGXQTL-INIZCTEOSA-N 2 0 323.868 2.543 20 0 DFADRP CC[NH+](CC)CCN[C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272365326 276099411 /nfs/dbraw/zinc/09/94/11/276099411.db2.gz OBBSNNPJHVJEHH-HKUYNNGSSA-N 2 0 303.494 2.828 20 0 DFADRP CC[NH+](CC)CCO[C@H]1CCN(c2cc[nH+]c(C)c2Cl)C1 ZINC000354021279 276100706 /nfs/dbraw/zinc/10/07/06/276100706.db2.gz DIIAZOSJUHNSLZ-AWEZNQCLSA-N 2 0 311.857 2.981 20 0 DFADRP CC[N@H+](CCN[C@H](C)[C@@H]1CC[NH+](Cc2ccccc2)C1)C1CC1 ZINC000274954588 276131811 /nfs/dbraw/zinc/13/18/11/276131811.db2.gz VPTTVRDVSFFGIB-IEBWSBKVSA-N 2 0 315.505 2.971 20 0 DFADRP CC[N@H+](Cc1ccc(C(=O)N[C@@H]2CCC[C@H]2C[NH3+])cc1)C(C)C ZINC000246558476 276140675 /nfs/dbraw/zinc/14/06/75/276140675.db2.gz UGVAZIQJWMDREC-ZWKOTPCHSA-N 2 0 317.477 2.774 20 0 DFADRP CC1CCC(C[N@@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@@H](C)C2)CC1 ZINC000354037639 276189003 /nfs/dbraw/zinc/18/90/03/276189003.db2.gz JEOBDCTVNYEFPL-VLOYRQLPSA-N 2 0 307.526 2.771 20 0 DFADRP C[N@@H+]1CC[C@H]([NH2+]Cc2ccccc2Cn2cccn2)[C@@H]2CCC[C@@H]21 ZINC000367601065 429681166 /nfs/dbraw/zinc/68/11/66/429681166.db2.gz MELQDQLTICDHRY-UFYCRDLUSA-N 2 0 324.472 2.894 20 0 DFADRP CC[NH+]1CCN([C@@H]2CC[N@H+](CC[C@H]3CCC[C@H](C)C3)C2)CC1 ZINC000246499822 276198226 /nfs/dbraw/zinc/19/82/26/276198226.db2.gz SBDYNSORHMPPGT-IPMKNSEASA-N 2 0 307.526 2.915 20 0 DFADRP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)[NH2+]CCCOC)CC1 ZINC000181634025 276202864 /nfs/dbraw/zinc/20/28/64/276202864.db2.gz VZKLETSUEWENMM-OAHLLOKOSA-N 2 0 323.456 2.655 20 0 DFADRP C[NH+](C)Cc1cc(C[NH2+][C@@H]2CC[N@H+](C)[C@@H]3CCC[C@H]32)ccc1F ZINC000367603083 429681912 /nfs/dbraw/zinc/68/19/12/429681912.db2.gz YDYUWZPMVCUIIX-QXAKKESOSA-N 3 0 319.468 2.850 20 0 DFADRP CC(=O)Nc1ccc(C[NH2+][C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@H]32)cc1 ZINC000367598209 429682064 /nfs/dbraw/zinc/68/20/64/429682064.db2.gz DDKBYJPJJXDZQQ-RCCFBDPRSA-N 2 0 301.434 2.607 20 0 DFADRP CC[N@@H+]1CC[C@@H]([NH2+]Cc2ccccc2-c2cnn(C)c2)[C@H](C)C1 ZINC000371433548 276216956 /nfs/dbraw/zinc/21/69/56/276216956.db2.gz XIBVSJJPJMRHGC-DNVCBOLYSA-N 2 0 312.461 2.907 20 0 DFADRP C[N@@H+]1CC[C@H]([NH2+]CC[C@](C)(O)c2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000367631758 429689252 /nfs/dbraw/zinc/68/92/52/429689252.db2.gz FFGGLTNRHMOZBQ-VJANTYMQSA-N 2 0 302.462 2.747 20 0 DFADRP C[C@H](O)CCC[NH2+][C@H]1[C@H](C)C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000450740317 429689820 /nfs/dbraw/zinc/68/98/20/429689820.db2.gz UTHOJYXSBIZTFK-MJQMVNBJSA-N 2 0 304.478 2.894 20 0 DFADRP CC(C)[NH+]1CCC(N(C)C(=O)C2(C[NH+](C)C)CCCCC2)CC1 ZINC000493106973 429690164 /nfs/dbraw/zinc/69/01/64/429690164.db2.gz QBEYXKIUNUQCFJ-UHFFFAOYSA-N 2 0 323.525 2.830 20 0 DFADRP CCC[C@](C)([NH3+])C(=O)NC[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000353666188 276292038 /nfs/dbraw/zinc/29/20/38/276292038.db2.gz YNCTXAZUQUNDPX-QRTARXTBSA-N 2 0 323.506 2.765 20 0 DFADRP C[C@@H](NC1CC[NH+](CC2CCCCC2)CC1)c1ccc(=O)[nH]n1 ZINC000367626179 429688486 /nfs/dbraw/zinc/68/84/86/429688486.db2.gz NEEKNVXMMDFFCM-CQSZACIVSA-N 2 0 318.465 2.878 20 0 DFADRP C[C@@H](CCN1CC[NH+](C)CC1)[NH2+]Cc1ccc(C(F)F)cc1 ZINC000525992109 429693257 /nfs/dbraw/zinc/69/32/57/429693257.db2.gz QPJJOKXAXDSXEF-AWEZNQCLSA-N 2 0 311.420 2.740 20 0 DFADRP CCO[C@@H]1C[C@H]([NH2+]C2CC[NH+](C3CCCC3)CC2)[C@@]12CCCO2 ZINC000358562422 276351686 /nfs/dbraw/zinc/35/16/86/276351686.db2.gz GUNDHBLZOOGTKV-OTWHNJEPSA-N 2 0 322.493 2.710 20 0 DFADRP CC(C)[C@@H]([NH3+])CC[N@H+](C)CCC(=O)Nc1cc(F)cc(F)c1 ZINC000430580948 429695929 /nfs/dbraw/zinc/69/59/29/429695929.db2.gz GRKVUATURROSLW-HNNXBMFYSA-N 2 0 313.392 2.599 20 0 DFADRP C[C@@H]1CCC[C@H](C[N@H+](C)[C@@H]2CCN(C3CC[NH+](C)CC3)C2)C1 ZINC000367673253 429697606 /nfs/dbraw/zinc/69/76/06/429697606.db2.gz RCZJALWQPSWVSF-ZIFCJYIRSA-N 2 0 307.526 2.913 20 0 DFADRP CCC[C@@H](NC(=O)[C@@H](C)[NH+]1CCC(C[NH3+])CC1)c1ccccc1 ZINC000430611985 429702221 /nfs/dbraw/zinc/70/22/21/429702221.db2.gz QJAFBYQOINWBPP-CRAIPNDOSA-N 2 0 317.477 2.703 20 0 DFADRP C[NH2+]C[C@@H]1CCCN([C@H](C)C(=O)Nc2cccc(SC)c2)C1 ZINC000430633899 429703841 /nfs/dbraw/zinc/70/38/41/429703841.db2.gz CJOFJVDGRRAEOH-KGLIPLIRSA-N 2 0 321.490 2.667 20 0 DFADRP C[N@H+](CCC(=O)Nc1cccc2ccccc21)C1CC[NH2+]CC1 ZINC000430663089 429707171 /nfs/dbraw/zinc/70/71/71/429707171.db2.gz JODJSUAHCBETKT-UHFFFAOYSA-N 2 0 311.429 2.852 20 0 DFADRP CC(C)[NH+]1CCC(N(C)C(=O)[C@H]2CCCCCC[C@H]2[NH3+])CC1 ZINC000430746610 429713393 /nfs/dbraw/zinc/71/33/93/429713393.db2.gz RCIKUKCSNCLWTH-DLBZAZTESA-N 2 0 309.498 2.615 20 0 DFADRP CC(C)[NH+]1CCC(N(C)C(=O)[C@@H]2CCCCCC[C@H]2[NH3+])CC1 ZINC000430746611 429714262 /nfs/dbraw/zinc/71/42/62/429714262.db2.gz RCIKUKCSNCLWTH-IAGOWNOFSA-N 2 0 309.498 2.615 20 0 DFADRP C[NH+](C)[C@H](CNC(=O)[C@H]1CCCCCC[C@H]1[NH3+])c1ccsc1 ZINC000430767329 429715926 /nfs/dbraw/zinc/71/59/26/429715926.db2.gz WDLWBEHTKZQJHI-ARFHVFGLSA-N 2 0 323.506 2.765 20 0 DFADRP C[NH+](C)C1(CNC(=O)CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CCCCCC1 ZINC000430839528 429720542 /nfs/dbraw/zinc/72/05/42/429720542.db2.gz SYDCRAIPAFUDBP-ALOPSCKCSA-N 2 0 321.509 2.678 20 0 DFADRP CC(C)CNC(=O)c1cccc(C[NH+]2CCC([C@@H](C)[NH3+])CC2)c1 ZINC000430926482 429724851 /nfs/dbraw/zinc/72/48/51/429724851.db2.gz GRQGAJZZVKFLQT-OAHLLOKOSA-N 2 0 317.477 2.632 20 0 DFADRP c1cn(CCC[N@H+]2CC=C(c3ccnc4[nH]ccc43)CC2)cn1 ZINC000367831405 429725191 /nfs/dbraw/zinc/72/51/91/429725191.db2.gz LCRUOWSEGOYBGZ-UHFFFAOYSA-N 2 0 307.401 2.939 20 0 DFADRP Cn1c2ccc(Cl)cc2nc1C[NH+]1CCC2(CC[NH2+]C2)CC1 ZINC000430947817 429727474 /nfs/dbraw/zinc/72/74/74/429727474.db2.gz GFJHKPLDWBPKPM-UHFFFAOYSA-N 2 0 318.852 2.802 20 0 DFADRP C[C@@H]1C[N@H+](C)CC[C@@H]1NC[C@H]1CCC[NH+]1CC1CCCCC1 ZINC000482892843 429728328 /nfs/dbraw/zinc/72/83/28/429728328.db2.gz YSKGOBHORPZWPJ-QRQLOZEOSA-N 2 0 307.526 2.961 20 0 DFADRP CCOC(=O)CC(C)(C)CC[NH+]1CCC([NH+]2CCCC2)CC1 ZINC000367891165 429737304 /nfs/dbraw/zinc/73/73/04/429737304.db2.gz JRIMNJCLYZTCSC-UHFFFAOYSA-N 2 0 310.482 2.916 20 0 DFADRP CCC[C@H]([NH3+])C(=O)N(CC)[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000431034882 429737605 /nfs/dbraw/zinc/73/76/05/429737605.db2.gz PGJYWKZIXBKHMJ-NXHRZFHOSA-N 2 0 317.477 2.798 20 0 DFADRP CC(C)([NH3+])c1noc(C[N@@H+]2CCCC[C@H]2Cc2ccccc2)n1 ZINC000431073133 429739481 /nfs/dbraw/zinc/73/94/81/429739481.db2.gz ILCZFPGJCHQLBR-HNNXBMFYSA-N 2 0 314.433 2.861 20 0 DFADRP C[C@H]1C[C@H](c2ccccc2)C[N@@H+]1Cc1nc(C(C)(C)[NH3+])no1 ZINC000431077052 429739574 /nfs/dbraw/zinc/73/95/74/429739574.db2.gz AUIVBYXHLMDTQC-JSGCOSHPSA-N 2 0 300.406 2.641 20 0 DFADRP CC[C@@H](Cc1ccccc1)[N@H+](C)Cc1nc(C(C)(C)[NH3+])no1 ZINC000431076967 429739876 /nfs/dbraw/zinc/73/98/76/429739876.db2.gz ABOPUGBXRRLSQD-AWEZNQCLSA-N 2 0 302.422 2.717 20 0 DFADRP C[C@@H]1C[N@@H+](CCCC[NH2+]C/C=C/c2ccncc2)C[C@H](C)O1 ZINC000486940919 429755130 /nfs/dbraw/zinc/75/51/30/429755130.db2.gz QIIJCPKITOJCJR-WZDWLKHJSA-N 2 0 303.450 2.574 20 0 DFADRP C[C@@H]([NH2+]C[C@@H]1CCCN(C)[C@H]1c1ccnn1C)[C@@H]1CC1(C)C ZINC000487023210 429760999 /nfs/dbraw/zinc/76/09/99/429760999.db2.gz CUUGNKXAYQNJAY-WBTNSWJXSA-N 2 0 304.482 2.827 20 0 DFADRP O[C@@H]1CCC[C@@H]1[NH+]1CCC([NH2+]Cc2ccc3cc[nH]c3c2)CC1 ZINC000527674943 429776813 /nfs/dbraw/zinc/77/68/13/429776813.db2.gz MZDJFHQQHMBZNB-RBUKOAKNSA-N 2 0 313.445 2.635 20 0 DFADRP C[C@@H]1CCC[N@H+](CCNC(=O)[C@H]2CCCC[NH+]2C2CCCC2)C1 ZINC000431749389 429780461 /nfs/dbraw/zinc/78/04/61/429780461.db2.gz KVAHYJPDPSOMTO-SJLPKXTDSA-N 2 0 321.509 2.632 20 0 DFADRP CC(C)N1CCCC[C@@H]1C[N@@H+]1CCC[C@H](CC(C)(C)C(N)=O)C1 ZINC000451213615 429788497 /nfs/dbraw/zinc/78/84/97/429788497.db2.gz FFLLNTPSIBWWFB-IAGOWNOFSA-N 2 0 323.525 2.863 20 0 DFADRP Cn1cncc1C[NH2+]C1CCC([N@H+](C)Cc2ccccc2)CC1 ZINC000368105416 429789044 /nfs/dbraw/zinc/78/90/44/429789044.db2.gz ROVKCYTWJJKXIB-UHFFFAOYSA-N 2 0 312.461 2.953 20 0 DFADRP CC[NH+](CC)[C@@H](C)CNC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC000431906938 429790112 /nfs/dbraw/zinc/79/01/12/429790112.db2.gz KEKQEKPYGZJAPP-RDJZCZTQSA-N 2 0 309.498 2.630 20 0 DFADRP Cc1nccn1CCCC[N@@H+]1CCC[C@@H](CC(C)(C)C(N)=O)C1 ZINC000451220814 429790473 /nfs/dbraw/zinc/79/04/73/429790473.db2.gz WOWXGIFKBWIRLI-INIZCTEOSA-N 2 0 320.481 2.585 20 0 DFADRP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CN(C2CC2)C[C@@H]1C ZINC000493602779 429793471 /nfs/dbraw/zinc/79/34/71/429793471.db2.gz ORTDAWFPWSOPLK-CAMMJAKZSA-N 2 0 307.526 2.959 20 0 DFADRP COc1ccccc1/C=C\C[NH2+]CCC[N@@H+]1CCCO[C@H](C)C1 ZINC000432362628 429818392 /nfs/dbraw/zinc/81/83/92/429818392.db2.gz NJCDTIQGVSEODP-VWTAQGJOSA-N 2 0 318.461 2.799 20 0 DFADRP COc1cccc([C@H](C[NH2+][C@@H]2C[C@@H](C)[N@H+](C)C[C@H]2C)OC)c1 ZINC000527919717 429818968 /nfs/dbraw/zinc/81/89/68/429818968.db2.gz JQVYFAOVYUTYKV-DTDBQYNISA-N 2 0 306.450 2.701 20 0 DFADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@@H](OC)c2cccc(OC)c2)[C@@H](C)C1 ZINC000527921032 429821123 /nfs/dbraw/zinc/82/11/23/429821123.db2.gz PTVRZYZNJYKKBO-JCGIZDLHSA-N 2 0 306.450 2.703 20 0 DFADRP C[N@@H+]1CC[C@H](NC[C@@H]2CC[NH+]2C2CCCCC2)[C@@H]2CCC[C@@H]21 ZINC000527952043 429826402 /nfs/dbraw/zinc/82/64/02/429826402.db2.gz SRXFDEVIUNSMJU-VJANTYMQSA-N 2 0 305.510 2.856 20 0 DFADRP COc1ccc([C@H](C)[NH2+]CC2COC2)cc1C[NH+]1CCCCC1 ZINC000528026202 429838110 /nfs/dbraw/zinc/83/81/10/429838110.db2.gz PVIFJRQEHKDNEH-HNNXBMFYSA-N 2 0 318.461 2.978 20 0 DFADRP C[C@@H](C(=O)Nc1ccc(C[N@@H+]2CCCC[C@H]2C)cc1)[C@H](C)[NH3+] ZINC000493991738 429852582 /nfs/dbraw/zinc/85/25/82/429852582.db2.gz IZBLLQXZLVNIBV-KFWWJZLASA-N 2 0 303.450 2.983 20 0 DFADRP CS[C@H]1CN(c2cc[nH+]cc2-c2cccnc2)C[C@H]1[NH+](C)C ZINC000368543113 429864262 /nfs/dbraw/zinc/86/42/62/429864262.db2.gz GBYSTQZHHGYIDI-SJORKVTESA-N 2 0 314.458 2.625 20 0 DFADRP CO[C@@H](Cc1ccc(F)cc1)C[N@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000528385356 429882736 /nfs/dbraw/zinc/88/27/36/429882736.db2.gz BPVYEJVFGSAERQ-WMZOPIPTSA-N 2 0 308.441 2.657 20 0 DFADRP C/C(Cl)=C/C[NH+]1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000528439080 429889535 /nfs/dbraw/zinc/88/95/35/429889535.db2.gz LHTWAQHNVMDDRJ-TVPGTPATSA-N 2 0 300.874 2.953 20 0 DFADRP CC[NH+]1CCC(N2CCC[N@H+](CC3CC(C)(C)C3)CC2)CC1 ZINC000528529023 429897538 /nfs/dbraw/zinc/89/75/38/429897538.db2.gz VGPFRWFXUPWSCL-UHFFFAOYSA-N 2 0 307.526 2.915 20 0 DFADRP C[NH+]1CCC(NC[C@]2(C)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000369183928 429917700 /nfs/dbraw/zinc/91/77/00/429917700.db2.gz ONPAVFCOYKEZFS-IBGZPJMESA-N 2 0 301.478 2.582 20 0 DFADRP C[N@@H+]1CC[C@@H]([NH2+]CCNc2ccc3ccccc3n2)CC1(C)C ZINC000623442322 429926165 /nfs/dbraw/zinc/92/61/65/429926165.db2.gz JYSCCGXLLPEBNU-MRXNPFEDSA-N 2 0 312.461 3.109 20 0 DFADRP CC[N@H+]1[C@H](C)CN(CC[NH+](C)Cc2ccc(F)cc2)C[C@@H]1C ZINC000639741479 429964037 /nfs/dbraw/zinc/96/40/37/429964037.db2.gz AVCAYRWJRXLHRA-IYBDPMFKSA-N 2 0 307.457 2.672 20 0 DFADRP C[NH+]1CCC2(CC[N@H+](Cc3ccn(C4CCCC4)n3)C2)CC1 ZINC000639758157 429970888 /nfs/dbraw/zinc/97/08/88/429970888.db2.gz PKXOWFIDFNFAEG-UHFFFAOYSA-N 2 0 302.466 2.916 20 0 DFADRP CN1CC[NH+](CCCC[NH2+][C@H]2CS[C@H](C(C)(C)C)C2)CC1 ZINC000573776919 429981422 /nfs/dbraw/zinc/98/14/22/429981422.db2.gz CQMFDTDVFNVAPY-CVEARBPZSA-N 2 0 313.555 2.524 20 0 DFADRP FC(F)(F)COCCC[N@@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC000639681990 429944111 /nfs/dbraw/zinc/94/41/11/429944111.db2.gz DIFJBYLUFHGQSK-UHFFFAOYSA-N 2 0 317.355 2.563 20 0 DFADRP C[C@@H]1C[C@H](C)C[N@@H+](CCN2CCCN(c3cc[nH+]cc3)CC2)C1 ZINC000639684150 429947183 /nfs/dbraw/zinc/94/71/83/429947183.db2.gz RYOBGHIDZOBCSC-HDICACEKSA-N 2 0 316.493 2.572 20 0 DFADRP [NH3+][C@H]1CCC[C@@H]([NH2+]CCc2ccc(OC(F)(F)F)cc2)C1 ZINC000574338984 430033242 /nfs/dbraw/zinc/03/32/42/430033242.db2.gz ISYZLQAWKRCIQV-QWHCGFSZSA-N 2 0 302.340 2.987 20 0 DFADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+]Cc1csc(-c2ccccn2)n1 ZINC000574501433 430047042 /nfs/dbraw/zinc/04/70/42/430047042.db2.gz HSXCDAMCFXOHIT-ZAQWFSBCSA-N 2 0 314.458 2.811 20 0 DFADRP CC(=O)N1CC[C@@H]([NH2+]C2CCC(C[NH3+])CC2)c2ccccc21 ZINC000573952727 429997500 /nfs/dbraw/zinc/99/75/00/429997500.db2.gz OMHIHPMIAVIMGM-VMBOVVBDSA-N 2 0 301.434 2.591 20 0 DFADRP C[C@H]([NH2+][C@H](CN1CC[NH+](C)CC1)c1ccccc1)[C@@H]1CC1(C)C ZINC000574254773 430024999 /nfs/dbraw/zinc/02/49/99/430024999.db2.gz MSEREDBHKOLWKY-YTQUADARSA-N 2 0 315.505 2.999 20 0 DFADRP C[C@H]([NH2+]C1CC[NH+](C[C@@H]2CCOC2)CC1)C1CC(F)(F)C1 ZINC000529548244 430026172 /nfs/dbraw/zinc/02/61/72/430026172.db2.gz JLVJYEZFUFLCOW-STQMWFEESA-N 2 0 302.409 2.511 20 0 DFADRP COc1cccc2c1CC[C@@H]([NH2+][C@H]1CC[NH2+]CC(C)(C)C1)C2 ZINC000634733957 430092895 /nfs/dbraw/zinc/09/28/95/430092895.db2.gz SQHVGPPTBGDYHU-CVEARBPZSA-N 2 0 302.462 2.920 20 0 DFADRP COCCCOc1cccc(C[NH2+][C@@H]2CC[NH2+]CC(C)(C)C2)c1 ZINC000634732415 430092913 /nfs/dbraw/zinc/09/29/13/430092913.db2.gz GFQBSKYJXJUFTQ-QGZVFWFLSA-N 2 0 320.477 2.970 20 0 DFADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1N[C@H]1CC[NH2+]CC(C)(C)C1 ZINC000634732854 430094089 /nfs/dbraw/zinc/09/40/89/430094089.db2.gz QIEKQEYSSMIARJ-NEWSRXKRSA-N 2 0 315.505 2.875 20 0 DFADRP CC[N@H+](C)[C@H](C(=O)N[C@@H]1CC[NH2+]CC(C)(C)C1)c1ccccc1 ZINC000634761751 430106717 /nfs/dbraw/zinc/10/67/17/430106717.db2.gz IINVFEMWCUUOOI-SJORKVTESA-N 2 0 317.477 2.574 20 0 DFADRP Cc1cc(C)cc(C[NH+]2CCC(CO[C@H]3CC[NH2+]C3)CC2)c1 ZINC000530242457 430107594 /nfs/dbraw/zinc/10/75/94/430107594.db2.gz SQCKCCSGGUPZKM-IBGZPJMESA-N 2 0 302.462 2.894 20 0 DFADRP CC1(C)C[NH2+]CC[C@@H](NC(=O)CC[C@H]([NH3+])CC2CCCCC2)C1 ZINC000634764203 430107803 /nfs/dbraw/zinc/10/78/03/430107803.db2.gz NHACRWPXNKRWRJ-DLBZAZTESA-N 2 0 323.525 2.959 20 0 DFADRP COCC1([NH2+]C2CC[NH+]([C@@H]3CCCC[C@@H]3C)CC2)CCOCC1 ZINC000560557743 430054445 /nfs/dbraw/zinc/05/44/45/430054445.db2.gz YFFLGDKIIGLFSK-FUHWJXTLSA-N 2 0 324.509 2.815 20 0 DFADRP CCc1ccccc1[C@H]([NH3+])CN[C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000560966705 430071455 /nfs/dbraw/zinc/07/14/55/430071455.db2.gz LDRBDCRSXVJYLW-ZSYWTGECSA-N 2 0 301.478 2.759 20 0 DFADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]C[C@H]2CC(C)(C)CO2)[C@H](C)C1 ZINC000634686661 430078241 /nfs/dbraw/zinc/07/82/41/430078241.db2.gz PJAGNGUEJDRJTR-ZACQAIPSSA-N 2 0 312.498 2.528 20 0 DFADRP [NH3+]C[C@H]1CCN(Cc2ccc3c(c2)C[NH2+]CC3)c2ccccc21 ZINC000634690210 430079551 /nfs/dbraw/zinc/07/95/51/430079551.db2.gz GOFHEPVFHNTSGP-QGZVFWFLSA-N 2 0 307.441 2.785 20 0 DFADRP CC[N@H+](CCC1CC[NH+](Cc2cnccn2)CC1)CC1CC1 ZINC000562680061 430166413 /nfs/dbraw/zinc/16/64/13/430166413.db2.gz YEIZHCSALRXREL-UHFFFAOYSA-N 2 0 302.466 2.811 20 0 DFADRP O=c1ccc(C[NH+]2CCC(C[NH+]3CCCCCC3)CC2)c[nH]1 ZINC000637906657 430166825 /nfs/dbraw/zinc/16/68/25/430166825.db2.gz WSSQYEHEEVQOJI-UHFFFAOYSA-N 2 0 303.450 2.875 20 0 DFADRP CC[NH+](CC)CC1CC[NH+](Cc2c3c(nn2C)CCCC3)CC1 ZINC000637904270 430166969 /nfs/dbraw/zinc/16/69/69/430166969.db2.gz CRTASVOXWXCJCG-UHFFFAOYSA-N 2 0 318.509 2.853 20 0 DFADRP C[C@H]1C[C@H]([NH3+])CC[N@@H+]1Cc1ccc(OCc2ccncc2)cc1 ZINC000581019691 430170766 /nfs/dbraw/zinc/17/07/66/430170766.db2.gz MLMOCFZKAKOHRJ-MAUKXSAKSA-N 2 0 311.429 2.972 20 0 DFADRP CC[C@H]([NH3+])C(=O)NC[C@@H](c1ccccc1Cl)[NH+](CC)CC ZINC000163580394 287926315 /nfs/dbraw/zinc/92/63/15/287926315.db2.gz OLHQXVKQASBJHK-GJZGRUSLSA-N 2 0 311.857 2.576 20 0 DFADRP Cc1cc2ccccc2nc1NCCC[N@@H+]1CCCO[C@@H](C)C1 ZINC000562412695 430130104 /nfs/dbraw/zinc/13/01/04/430130104.db2.gz GGXLVWDUXQCGFN-INIZCTEOSA-N 2 0 313.445 3.456 20 0 DFADRP C[C@@H]([NH2+]CC[C@H]1CCC[N@H+](C)C1)c1ccc2c(c1)CCC(=O)N2 ZINC000580702063 430145791 /nfs/dbraw/zinc/14/57/91/430145791.db2.gz VVNRIMOUAKWSEL-HUUCEWRRSA-N 2 0 315.461 2.954 20 0 DFADRP c1csc(N2CC[NH+](Cc3ccc4c(c3)C[NH2+]CC4)CC2)c1 ZINC000580719528 430146796 /nfs/dbraw/zinc/14/67/96/430146796.db2.gz DCBJRLMFNUKJJS-UHFFFAOYSA-N 2 0 313.470 2.716 20 0 DFADRP Cc1ccc(C[NH2+][C@@H](C)CCN2CC[NH+](C)CC2)c(Cl)c1 ZINC000580719010 430147316 /nfs/dbraw/zinc/14/73/16/430147316.db2.gz LEPDCXROLRKTQX-HNNXBMFYSA-N 2 0 309.885 2.764 20 0 DFADRP CNC(=O)C[C@H](C)[NH2+]Cc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000269066722 277001904 /nfs/dbraw/zinc/00/19/04/277001904.db2.gz ZACWZHRSNNRAJZ-INIZCTEOSA-N 2 0 317.477 2.677 20 0 DFADRP C[NH+]1CCC(N2CC[C@@H]([NH2+][C@@H]3CCc4ccc(F)cc43)C2)CC1 ZINC000370636161 277027993 /nfs/dbraw/zinc/02/79/93/277027993.db2.gz QRFMQEYCCSCUPP-VQIMIIECSA-N 2 0 317.452 2.571 20 0 DFADRP Cc1ccc2ncc(C[NH2+]CCn3ccc(C(F)(F)F)n3)n2c1 ZINC000634990283 430184973 /nfs/dbraw/zinc/18/49/73/430184973.db2.gz DAOVOVBLDFUNGE-UHFFFAOYSA-N 2 0 323.322 2.648 20 0 DFADRP Nc1ccc(-c2cccc(C[N@@H+]3C[C@@H]4CCC[C@@H]([NH3+])[C@@H]4C3)n2)cc1 ZINC000634991391 430185442 /nfs/dbraw/zinc/18/54/42/430185442.db2.gz CCTBNAHATFNCDE-KFKAGJAMSA-N 2 0 322.456 2.890 20 0 DFADRP C[N@@H+]1CCCN(CCC[NH2+][C@@H]2CCCc3sccc32)CC1 ZINC000128503245 277051589 /nfs/dbraw/zinc/05/15/89/277051589.db2.gz UMIPXGSQKJVJCG-MRXNPFEDSA-N 2 0 307.507 2.743 20 0 DFADRP CO[C@@H]1[C@H](C)[C@@H]([NH2+]CC[C@H]([NH3+])Cc2ccccc2)C12CCC2 ZINC000635007750 430194600 /nfs/dbraw/zinc/19/46/00/430194600.db2.gz PGCBFUGWLPISMX-BZZMCLGOSA-N 2 0 302.462 2.740 20 0 DFADRP C[C@H](Nc1cc(N2CC[NH2+]CC2)cc[nH+]1)c1ccc2c(c1)COC2 ZINC000635006388 430194647 /nfs/dbraw/zinc/19/46/47/430194647.db2.gz BLILAPUBEOXVNN-AWEZNQCLSA-N 2 0 324.428 2.695 20 0 DFADRP [NH3+][C@@H]1CCC[C@H]([NH2+][C@@H](CCO)c2ccc(Cl)c(F)c2)C1 ZINC000634997476 430188708 /nfs/dbraw/zinc/18/87/08/430188708.db2.gz LYRABVWDKBDISZ-XUJVJEKNSA-N 2 0 300.805 2.762 20 0 DFADRP C[NH+]1CCN(CCC[NH2+][C@@H]2C[C@H](c3ccccc3)C2(C)C)CC1 ZINC000122808414 277105500 /nfs/dbraw/zinc/10/55/00/277105500.db2.gz HYXSKOZYVLTGJB-RTBURBONSA-N 2 0 315.505 2.796 20 0 DFADRP C[C@@H]1C[N@H+](Cc2c[nH]nc2-c2cccc(Cl)c2)C[C@@H]1C[NH3+] ZINC000634998450 430189701 /nfs/dbraw/zinc/18/97/01/430189701.db2.gz FTIYNAFLXIAPIT-YPMHNXCESA-N 2 0 304.825 2.757 20 0 DFADRP CC[C@H](C)Oc1cc(C[N@@H+]2C[C@@H](C)[C@@H](C[NH3+])C2)ccc1OC ZINC000634999033 430189833 /nfs/dbraw/zinc/18/98/33/430189833.db2.gz PAXOFKHMTDBIAE-YCPHGPKFSA-N 2 0 306.450 2.899 20 0 DFADRP CCC[C@H](C[N@@H+]1CC[C@H](n2cc(C[NH3+])nn2)C1)c1ccccc1 ZINC000635000243 430189944 /nfs/dbraw/zinc/18/99/44/430189944.db2.gz KCUKAYHQGYWTSE-AEFFLSMTSA-N 2 0 313.449 2.568 20 0 DFADRP C[C@H]1C[N@H+](Cc2cnn(-c3ccc(Cl)cc3)c2)C[C@H]1C[NH3+] ZINC000634998643 430190575 /nfs/dbraw/zinc/19/05/75/430190575.db2.gz IZJLICAZIYMJNS-GXTWGEPZSA-N 2 0 304.825 2.552 20 0 DFADRP c1cc(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)c2c(c1)C[NH2+]CC2 ZINC000635003791 430191251 /nfs/dbraw/zinc/19/12/51/430191251.db2.gz LRZGFUXLBBLMJK-HSALFYBXSA-N 3 0 313.489 2.733 20 0 DFADRP CC(C)N1CCC[C@H]([N@H+](C)CCCC[NH+]2CCCCC2)C1=O ZINC000640532284 430191371 /nfs/dbraw/zinc/19/13/71/430191371.db2.gz CPBYFOMHKSJRSJ-KRWDZBQOSA-N 2 0 309.498 2.584 20 0 DFADRP C[C@H](CCc1n[nH]c2ccccc21)[NH2+][C@H]1CC[C@H](C[NH3+])CC1 ZINC000635003961 430191543 /nfs/dbraw/zinc/19/15/43/430191543.db2.gz GBASOWLWLAKTIV-RBSFLKMASA-N 2 0 300.450 2.991 20 0 DFADRP [NH3+][C@@H]1CCC[C@H]([NH2+][C@@H]2[C@H]3Cc4cc(Br)ccc4[C@@H]23)C1 ZINC000635001441 430191602 /nfs/dbraw/zinc/19/16/02/430191602.db2.gz SGKUKISOABKMMS-XVLPMQGWSA-N 2 0 321.262 2.947 20 0 DFADRP C[C@H](CC1CCCCC1)C[N@@H+]1CC[C@@H](n2cc(C[NH3+])nn2)C1 ZINC000635000836 430191719 /nfs/dbraw/zinc/19/17/19/430191719.db2.gz WUPNAIBRWNWWOL-RHSMWYFYSA-N 2 0 305.470 2.590 20 0 DFADRP C[C@H]1CCCN1C(=O)CC[N@H+](C)CCCC[NH+]1CCCCC1 ZINC000640532297 430191753 /nfs/dbraw/zinc/19/17/53/430191753.db2.gz CYPRFXXNMHGSRZ-KRWDZBQOSA-N 2 0 309.498 2.585 20 0 DFADRP C[C@@H]1C[C@@H](C)CN(C(=O)C[N@H+](C)CCCC[NH+]2CCCCC2)C1 ZINC000640530749 430192125 /nfs/dbraw/zinc/19/21/25/430192125.db2.gz CDQBETIOMJUFDP-QZTJIDSGSA-N 2 0 323.525 2.689 20 0 DFADRP C[C@H](C(=O)N1CCCCC1)[N@H+](C)CCCC[NH+]1CCCCC1 ZINC000640531457 430192160 /nfs/dbraw/zinc/19/21/60/430192160.db2.gz JWXGHDRACQPRGP-QGZVFWFLSA-N 2 0 309.498 2.585 20 0 DFADRP [NH3+]C[C@H]1CCC[C@@H]1[NH2+][C@@H]1[C@H]2Cc3cc(Br)ccc3[C@@H]12 ZINC000635006800 430193647 /nfs/dbraw/zinc/19/36/47/430193647.db2.gz SYAHKANWQMJKGI-AKHZKOQFSA-N 2 0 321.262 2.804 20 0 DFADRP Fc1cccc2c1CC[C@H]2Nc1cc(N2CC[NH2+]CC2)cc[nH+]1 ZINC000635007656 430193787 /nfs/dbraw/zinc/19/37/87/430193787.db2.gz FUZHAUPHZPJZIF-QGZVFWFLSA-N 2 0 312.392 2.730 20 0 DFADRP C[C@@H]([NH2+][C@H]1CC[NH2+]CC(C)(C)C1)c1cccc(-n2ccnn2)c1 ZINC000635011803 430195428 /nfs/dbraw/zinc/19/54/28/430195428.db2.gz PFJJEUDCXMWERJ-ZBFHGGJFSA-N 2 0 313.449 2.696 20 0 DFADRP C[C@@H](c1ccccc1)N1CC[C@H]([NH2+][C@H]2CC[C@H](C[NH3+])CC2)C1 ZINC000635008850 430195671 /nfs/dbraw/zinc/19/56/71/430195671.db2.gz VVDSZFWQLPCIQK-CAMMJAKZSA-N 2 0 301.478 2.929 20 0 DFADRP Cc1ccc(CN2CC[C@H]([NH2+][C@@H]3CC[NH2+]CC[C@H]3C)C2)cc1 ZINC000635011528 430196277 /nfs/dbraw/zinc/19/62/77/430196277.db2.gz GCBZIFJJCQMJTK-NZSAHSFTSA-N 2 0 301.478 2.547 20 0 DFADRP [NH3+][C@@H](CC[NH2+]C1CCN(c2ccccn2)CC1)Cc1ccccc1 ZINC000635009942 430196559 /nfs/dbraw/zinc/19/65/59/430196559.db2.gz XPSDIQVVOHHNGF-SFHVURJKSA-N 2 0 324.472 2.600 20 0 DFADRP c1ccc(C[N@@H+]2CCCCC[C@@H](NC3CC[NH2+]CC3)C2)cc1 ZINC000635016489 430197909 /nfs/dbraw/zinc/19/79/09/430197909.db2.gz CCCKPUKSCCVHGM-LJQANCHMSA-N 2 0 301.478 2.773 20 0 DFADRP Cc1cc(N2CCC([NH2+][C@@H](C)C[C@H]3CCCCC[NH2+]3)CC2)n[nH]1 ZINC000581304621 430198203 /nfs/dbraw/zinc/19/82/03/430198203.db2.gz RYSCIZXVMVPJKH-WMLDXEAASA-N 2 0 319.497 2.587 20 0 DFADRP COC[C@@H](C)[NH2+][C@H]1CC2(CC[NH+](C)CC2)Oc2ccccc21 ZINC000375020253 277245274 /nfs/dbraw/zinc/24/52/74/277245274.db2.gz MQCAOYNKYLBSSN-ZBFHGGJFSA-N 2 0 304.434 2.599 20 0 DFADRP C[N@H+](CC(=O)NC[C@@H](c1ccco1)[NH+]1CCCC1)CC(C)(C)C ZINC000635111961 430211590 /nfs/dbraw/zinc/21/15/90/430211590.db2.gz QQPSKNMELRAJIO-HNNXBMFYSA-N 2 0 321.465 2.511 20 0 DFADRP COc1cc(F)cc(OC)c1C[N@H+](C)CC1CC[NH+](C)CC1 ZINC000638029239 430211814 /nfs/dbraw/zinc/21/18/14/430211814.db2.gz NVCCTOXJZFOKTR-UHFFFAOYSA-N 2 0 310.413 2.617 20 0 DFADRP CCC[NH+]1CCN(c2ccccc2C[NH2+][C@@H](CC)COC)CC1 ZINC000581441021 430210295 /nfs/dbraw/zinc/21/02/95/430210295.db2.gz ZGFLEICCAMVONV-SFHVURJKSA-N 2 0 319.493 2.733 20 0 DFADRP [NH3+][C@H]1CCC[C@@H]([NH2+]CCc2ccccc2OC(F)(F)F)C1 ZINC000581439705 430210576 /nfs/dbraw/zinc/21/05/76/430210576.db2.gz FLDDFJDGXUSCHN-QWHCGFSZSA-N 2 0 302.340 2.987 20 0 DFADRP C[C@H](O)C[N@H+](C)C1CCN(CC(C)(C)Oc2ccccc2)CC1 ZINC000638047745 430218791 /nfs/dbraw/zinc/21/87/91/430218791.db2.gz LIKMKGIFLBGEGA-INIZCTEOSA-N 2 0 320.477 2.621 20 0 DFADRP C[NH+](C)Cc1cccc(C(=O)N2CC[N@H+](C)[C@H](C(C)(C)C)C2)c1 ZINC000640626681 430218954 /nfs/dbraw/zinc/21/89/54/430218954.db2.gz KQOHHCCVQYYTSV-KRWDZBQOSA-N 2 0 317.477 2.551 20 0 DFADRP CC(C)CC[C@H]([NH3+])C(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000638052873 430221804 /nfs/dbraw/zinc/22/18/04/430221804.db2.gz BTDXPQFKUPXNMS-SFHVURJKSA-N 2 0 317.477 2.662 20 0 DFADRP Cc1cc(C[NH3+])oc1C(=O)NC[C@@H](C(C)C)[NH+]1CCC(C)CC1 ZINC000638062998 430223416 /nfs/dbraw/zinc/22/34/16/430223416.db2.gz BILYDFVEIIMNHO-INIZCTEOSA-N 2 0 321.465 2.533 20 0 DFADRP C[NH+](C)Cc1cccc(NC(=O)C23CCC[NH+](CCC2)C3)c1 ZINC000635263987 430241739 /nfs/dbraw/zinc/24/17/39/430241739.db2.gz CVZIKZVQTYSJMR-UHFFFAOYSA-N 2 0 301.434 2.563 20 0 DFADRP CC[C@@H](C)[C@@H](C[NH+]1CCC(OCC[NH+]2CCCC2)CC1)OC ZINC000638126268 430243904 /nfs/dbraw/zinc/24/39/04/430243904.db2.gz SOJXFABIMRMZCW-SJLPKXTDSA-N 2 0 312.498 2.624 20 0 DFADRP Cc1ccccc1NC(=O)C[C@H](C)[NH2+]Cc1ccc(C[NH3+])cc1 ZINC000566230053 430250176 /nfs/dbraw/zinc/25/01/76/430250176.db2.gz CBLQQKLRPKKDFP-HNNXBMFYSA-N 2 0 311.429 2.961 20 0 DFADRP Cc1c(F)cccc1NC(=O)CC[NH2+]C[C@@H](C)C[NH+]1CCCC1 ZINC000581938578 430252047 /nfs/dbraw/zinc/25/20/47/430252047.db2.gz JXKHWLNGUMOMNR-CQSZACIVSA-N 2 0 321.440 2.784 20 0 DFADRP CC(C)[NH+]1CCN(C2CC[NH+](CC3(C(C)C)CC3)CC2)CC1 ZINC000638151499 430252439 /nfs/dbraw/zinc/25/24/39/430252439.db2.gz DOYIZDFAKWHPNU-UHFFFAOYSA-N 2 0 307.526 2.913 20 0 DFADRP CO[C@@]1(C[NH+]2CCC(CC[N@@H+]3CCCC[C@@H]3C)CC2)CCOC1 ZINC000638154791 430253796 /nfs/dbraw/zinc/25/37/96/430253796.db2.gz UWHYVIUUBGKBKP-PKOBYXMFSA-N 2 0 324.509 2.768 20 0 DFADRP C[C@@H]1CCC[N@H+](CCCCNC(=O)[C@H]2CC[NH+]2C2CCCC2)C1 ZINC000635326084 430256132 /nfs/dbraw/zinc/25/61/32/430256132.db2.gz UFRZUOCYGXLTBQ-SJLPKXTDSA-N 2 0 321.509 2.632 20 0 DFADRP CCCn1ccc(CNc2c[nH+]ccc2N2CC[NH+](C)CC2)c1 ZINC000582097406 430267702 /nfs/dbraw/zinc/26/77/02/430267702.db2.gz LUUPWCJUIUJFMZ-UHFFFAOYSA-N 2 0 313.449 2.657 20 0 DFADRP CC(C)[NH+]1CCN([C@H]2CC[N@@H+]([C@H](C)Cc3ccsc3)C2)CC1 ZINC000544023977 430270795 /nfs/dbraw/zinc/27/07/95/430270795.db2.gz QBVLYEGWSGDOIN-AEFFLSMTSA-N 2 0 321.534 2.779 20 0 DFADRP CC(C)[N@H+](C)CC1CCN(C(=O)[C@H]2CC[NH+]2C2CCCC2)CC1 ZINC000635425757 430275566 /nfs/dbraw/zinc/27/55/66/430275566.db2.gz OHGWVJXTVFOWAE-GOSISDBHSA-N 2 0 321.509 2.582 20 0 DFADRP C[NH+](C)[C@H](CNC(=O)[C@@H]1CCCCC[NH2+]1)c1ccc(Cl)cc1 ZINC000582184150 430276266 /nfs/dbraw/zinc/27/62/66/430276266.db2.gz OABDUTZTPCLBAT-JKSUJKDBSA-N 2 0 323.868 2.591 20 0 DFADRP CC(C)[N@H+](C)CC1CCN(C(=O)C[NH+](C)CC(C)(C)C)CC1 ZINC000635426573 430276450 /nfs/dbraw/zinc/27/64/50/430276450.db2.gz WPLANKAGQKEILQ-UHFFFAOYSA-N 2 0 311.514 2.543 20 0 DFADRP Cc1ccc(-n2ccnc2)c(C(=O)N[C@@H](C)C2=CC[N@H+](C)CC2)c1 ZINC000542824073 430228044 /nfs/dbraw/zinc/22/80/44/430228044.db2.gz DCMCWMSCAODGLZ-HNNXBMFYSA-N 2 0 324.428 2.561 20 0 DFADRP Cc1ccc(-n2ccnc2)c(C(=O)N[C@H](C)C2=CC[N@H+](C)CC2)c1 ZINC000542824074 430228360 /nfs/dbraw/zinc/22/83/60/430228360.db2.gz DCMCWMSCAODGLZ-OAHLLOKOSA-N 2 0 324.428 2.561 20 0 DFADRP COc1cncc(CN2CCC[C@@H]([NH+]3CCCC3)CC2)c1C ZINC000638103934 430236134 /nfs/dbraw/zinc/23/61/34/430236134.db2.gz CWZVWPOVDZSYSZ-QGZVFWFLSA-N 2 0 303.450 2.849 20 0 DFADRP CC[N@@H+]1CC[C@H](N(C)Cc2c(OC)cccc2OC)[C@@H](C)C1 ZINC000638110983 430238413 /nfs/dbraw/zinc/23/84/13/430238413.db2.gz ATTPQWCABCCBST-HOCLYGCPSA-N 2 0 306.450 2.866 20 0 DFADRP CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)c2oc(C[NH3+])cc2C)C1 ZINC000638112930 430238597 /nfs/dbraw/zinc/23/85/97/430238597.db2.gz XGHFLGLDKADCQH-CQSZACIVSA-N 2 0 321.465 2.677 20 0 DFADRP CC(C)CC[C@H]([NH3+])C(=O)Nc1cccc(OCCC[NH+](C)C)c1 ZINC000638112659 430240079 /nfs/dbraw/zinc/24/00/79/430240079.db2.gz JQMKDWKYZGSTTQ-KRWDZBQOSA-N 2 0 321.465 2.719 20 0 DFADRP Cn1ccnc1[C@@H](C1CC1)[NH+]1CCC(CCC[NH+](C)C)CC1 ZINC000638120732 430240602 /nfs/dbraw/zinc/24/06/02/430240602.db2.gz HIWZKNMJWMBTKN-QGZVFWFLSA-N 2 0 304.482 2.925 20 0 DFADRP Cc1ccc([C@@H]([NH2+]CCCN2CC[NH+](C)CC2)C2CCC2)o1 ZINC000544581134 430288691 /nfs/dbraw/zinc/28/86/91/430288691.db2.gz FNEWDUWMVCTUKM-SFHVURJKSA-N 2 0 305.466 2.656 20 0 DFADRP CC(C)C[C@H](CNC(=O)[C@H](C)[C@@H](C)[NH3+])[NH2+][C@@H](C)c1ccccc1 ZINC000567802240 430289125 /nfs/dbraw/zinc/28/91/25/430289125.db2.gz ODCBAOSRARWMLU-XLMAVXFVSA-N 2 0 319.493 2.851 20 0 DFADRP CC[C@](C)(C[NH2+]Cc1ccc(C[NH+]2CCC(O)CC2)cc1)OC ZINC000638273337 430290589 /nfs/dbraw/zinc/29/05/89/430290589.db2.gz HMKUWZWEAXTLRX-LJQANCHMSA-N 2 0 320.477 2.548 20 0 DFADRP [NH3+]CCC1CC[NH+](Cc2cnc(-c3ccncc3)s2)CC1 ZINC000582363967 430292136 /nfs/dbraw/zinc/29/21/36/430292136.db2.gz QCGIGSJQJHGBCT-UHFFFAOYSA-N 2 0 302.447 2.766 20 0 DFADRP CC[NH+]1CCC(C[NH2+][C@H](C)c2ccccc2-n2ccnn2)CC1 ZINC000582436445 430300912 /nfs/dbraw/zinc/30/09/12/430300912.db2.gz RIFITMAPRGXUGJ-OAHLLOKOSA-N 2 0 313.449 2.650 20 0 DFADRP CO[C@H](C[NH2+]CCC[N@H+](C)Cc1ccccc1)C1CCOCC1 ZINC000638311302 430301066 /nfs/dbraw/zinc/30/10/66/430301066.db2.gz ZCJYQLCENDBQBV-LJQANCHMSA-N 2 0 320.477 2.540 20 0 DFADRP CO[C@@]1(C[NH2+]Cc2ccc(C[NH+]3CCCCC3)cc2)CCOC1 ZINC000638313432 430302345 /nfs/dbraw/zinc/30/23/45/430302345.db2.gz WFVPFELGPJBSJS-LJQANCHMSA-N 2 0 318.461 2.568 20 0 DFADRP CSc1ccc(NC(=O)[C@H](C)[NH+]2CCC(CC[NH3+])CC2)cc1 ZINC000568057219 430310500 /nfs/dbraw/zinc/31/05/00/430310500.db2.gz WTDSZOZQQNGMKH-ZDUSSCGKSA-N 2 0 321.490 2.796 20 0 DFADRP COc1cccc([C@H](C)[NH2+]C2CC[NH+](CC(C)(C)O)CC2)c1 ZINC000638393999 430328649 /nfs/dbraw/zinc/32/86/49/430328649.db2.gz PBCSVGFJXODKMU-AWEZNQCLSA-N 2 0 306.450 2.581 20 0 DFADRP CC(C)(C)O[C@@H]1C[C@@H]([NH2+]C[C@@H](O)C[NH+]2CCCCC2)C12CCC2 ZINC000638412349 430333673 /nfs/dbraw/zinc/33/36/73/430333673.db2.gz OETNEUMMQIKPJH-BRWVUGGUSA-N 2 0 324.509 2.549 20 0 DFADRP CCC[N@@H+]1CC[C@@H](C[NH2+]C[C@@H]2CCN(c3ccccc3)C2)C1 ZINC000638409114 430333754 /nfs/dbraw/zinc/33/37/54/430333754.db2.gz JDRPFTQHXDEFNG-ROUUACIJSA-N 2 0 301.478 2.834 20 0 DFADRP Cc1ccc(C[NH+](C)C)cc1NC(=O)C[N@H+](C)CC(C)(C)C ZINC000635650891 430335149 /nfs/dbraw/zinc/33/51/49/430335149.db2.gz DENBEPWHYLOZMX-UHFFFAOYSA-N 2 0 305.466 2.973 20 0 DFADRP COc1cc(C[C@@H](C)[NH2+]C2CC[NH+](C3CCC3)CC2)ccn1 ZINC000638425537 430338558 /nfs/dbraw/zinc/33/85/58/430338558.db2.gz MTWULLLNVLTSBR-CQSZACIVSA-N 2 0 303.450 2.628 20 0 DFADRP CC[N@@H+]1CCC[C@H](CNCc2ccccc2OCCCCO)C1 ZINC000638451947 430345891 /nfs/dbraw/zinc/34/58/91/430345891.db2.gz SGAZBHACYKHZMD-QGZVFWFLSA-N 2 0 320.477 2.659 20 0 DFADRP COCC1(C[NH2+]Cc2ccccc2OCC[NH+](C)C)CCC1 ZINC000638447548 430346525 /nfs/dbraw/zinc/34/65/25/430346525.db2.gz FFOULQBBXNFTJN-UHFFFAOYSA-N 2 0 306.450 2.533 20 0 DFADRP CC(C)(O)C[NH+]1CCC([NH2+]CCc2ccccc2Cl)CC1 ZINC000638452638 430347280 /nfs/dbraw/zinc/34/72/80/430347280.db2.gz AKJIBLCJXRYZMW-UHFFFAOYSA-N 2 0 310.869 2.707 20 0 DFADRP c1[nH]c2ncncc2c1C[NH2+]C1CC[NH+](CC2CCCC2)CC1 ZINC000638455228 430348340 /nfs/dbraw/zinc/34/83/40/430348340.db2.gz UDWQZLSEFJSZQN-UHFFFAOYSA-N 2 0 313.449 2.654 20 0 DFADRP CC(C)CC[NH+]1CCC(C[NH2+][C@H](C)C[C@@H]2CCCC(=O)N2)CC1 ZINC000638722060 430416152 /nfs/dbraw/zinc/41/61/52/430416152.db2.gz OAQLHIOOWJFCLC-AEFFLSMTSA-N 2 0 323.525 2.781 20 0 DFADRP CC(C)C1(C[NH2+]Cc2cccc(C(=O)NCC[NH+](C)C)c2)CC1 ZINC000638512532 430363998 /nfs/dbraw/zinc/36/39/98/430363998.db2.gz GVMQIMPBWCTAAP-UHFFFAOYSA-N 2 0 317.477 2.504 20 0 DFADRP c1ccc(CC[N@H+]2CC[C@H](C[NH2+]CCC3CCOCC3)C2)cc1 ZINC000638522198 430366903 /nfs/dbraw/zinc/36/69/03/430366903.db2.gz YDUNZKULXLOBFB-HXUWFJFHSA-N 2 0 316.489 2.957 20 0 DFADRP CC[NH+]1CCC(CCNC(=O)Nc2ccc3c(c2)C[NH2+]C3)CC1 ZINC000583192663 430372451 /nfs/dbraw/zinc/37/24/51/430372451.db2.gz VYIDEIIJAVXQID-UHFFFAOYSA-N 2 0 316.449 2.533 20 0 DFADRP CCOCC[C@H](O)C[NH2+]Cc1ccccc1C[NH+]1CCCCC1 ZINC000583198906 430374283 /nfs/dbraw/zinc/37/42/83/430374283.db2.gz OYAQROLMEMJVAO-IBGZPJMESA-N 2 0 320.477 2.550 20 0 DFADRP Cc1cccc(NC(=O)C[C@H](C)[NH2+]CCC[NH2+]C(C)C)c1C ZINC000583198053 430374497 /nfs/dbraw/zinc/37/44/97/430374497.db2.gz FFCMRHVSKIBTQD-HNNXBMFYSA-N 2 0 305.466 2.998 20 0 DFADRP [NH3+]C[C@H]1CC[C@H](C[NH2+][C@@H](c2ccccc2)c2cncnc2)CC1 ZINC000583198118 430374679 /nfs/dbraw/zinc/37/46/79/430374679.db2.gz FXTXMYSZNSGUJS-BXWFABGCSA-N 2 0 310.445 2.921 20 0 DFADRP [NH3+]Cc1cccc2c1N(C(=O)CC[C@@H]([NH3+])c1ccccc1)CCC2 ZINC000638551782 430375143 /nfs/dbraw/zinc/37/51/43/430375143.db2.gz XOAYFUMIMBISTN-GOSISDBHSA-N 2 0 323.440 2.905 20 0 DFADRP COc1cc(C[NH2+]CC2CC[NH+](CCC(C)C)CC2)sn1 ZINC000638723186 430417523 /nfs/dbraw/zinc/41/75/23/430417523.db2.gz ZNHDEYXTGLLYSB-UHFFFAOYSA-N 2 0 311.495 2.999 20 0 DFADRP NC(=O)[C@@H]1CCC[N@H+](CCC[NH2+]C2CCC(=C3CCC3)CC2)C1 ZINC000638571233 430377658 /nfs/dbraw/zinc/37/76/58/430377658.db2.gz HRSCBCSRLIHMQM-QGZVFWFLSA-N 2 0 319.493 2.587 20 0 DFADRP [NH3+][C@@H]1CCC[C@@H]([NH2+]C2CCN(Cc3ccc(F)c(F)c3)CC2)C1 ZINC000568646308 430379263 /nfs/dbraw/zinc/37/92/63/430379263.db2.gz DXOUFHNLGGWEPB-GDBMZVCRSA-N 2 0 323.431 2.789 20 0 DFADRP CC[NH+](CC)Cc1ccc(NC(=O)C[N@@H+]2CC[C@H](C)C2)cc1 ZINC000568645829 430379468 /nfs/dbraw/zinc/37/94/68/430379468.db2.gz ADQVHTUPKUAUBA-HNNXBMFYSA-N 2 0 303.450 2.809 20 0 DFADRP CCC[N@H+](CC)Cc1ccc(C(=O)N[C@@H]2CC[NH2+][C@H]2CC)cc1 ZINC000638572502 430379833 /nfs/dbraw/zinc/37/98/33/430379833.db2.gz MSTCRGNERCBENU-ZWKOTPCHSA-N 2 0 317.477 2.789 20 0 DFADRP [NH3+][C@H]1CCC[C@H]([NH2+]CC2CC[NH+](Cc3cccs3)CC2)C1 ZINC000568664640 430381213 /nfs/dbraw/zinc/38/12/13/430381213.db2.gz XHJDECORRDDBIP-HOTGVXAUSA-N 3 0 307.507 2.820 20 0 DFADRP C[NH+](C)CC[C@H]([NH2+]Cc1cccn(C(F)F)c1=O)C(C)(C)C ZINC000638606309 430386980 /nfs/dbraw/zinc/38/69/80/430386980.db2.gz XQITYQQMENBULV-ZDUSSCGKSA-N 2 0 315.408 2.699 20 0 DFADRP CC[N@H+](C)Cc1cccc(C[NH2+]C[C@H](O)CC(F)(F)F)c1 ZINC000568741378 430388708 /nfs/dbraw/zinc/38/87/08/430388708.db2.gz SKPJSEVQZUFYCC-CQSZACIVSA-N 2 0 304.356 2.541 20 0 DFADRP C[C@H](C[NH2+]Cc1c[nH]c2ncncc12)N(C)Cc1ccccc1 ZINC000638618865 430389418 /nfs/dbraw/zinc/38/94/18/430389418.db2.gz PAEQETPOMXOOMM-CQSZACIVSA-N 2 0 309.417 2.520 20 0 DFADRP CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)C(C)(C)[C@H]([NH3+])c1ccccc1 ZINC000568766796 430391892 /nfs/dbraw/zinc/39/18/92/430391892.db2.gz MVNPIRLRJVEFHF-NVXWUHKLSA-N 2 0 317.477 2.513 20 0 DFADRP Cc1ccccc1[C@H]([C@H](C)NC(=O)[C@@H]1CCCC[N@@H+]1C)[NH+](C)C ZINC000635851140 430392869 /nfs/dbraw/zinc/39/28/69/430392869.db2.gz RDTZYOUKQVMHLQ-SZMVWBNQSA-N 2 0 317.477 2.587 20 0 DFADRP C[NH+](CCC(=O)NCC[N@@H+](C)C1CCCC1)C1CCCCC1 ZINC000547430084 430393155 /nfs/dbraw/zinc/39/31/55/430393155.db2.gz VBMNFJWDLOTRCQ-UHFFFAOYSA-N 2 0 309.498 2.632 20 0 DFADRP C[C@@H]([NH2+][C@@H]1CCCC[C@H]1O)c1ccc(OCC[NH+](C)C)cc1 ZINC000186803717 277628972 /nfs/dbraw/zinc/62/89/72/277628972.db2.gz GQGNPCKNDMUMLB-ZTFGCOKTSA-N 2 0 306.450 2.581 20 0 DFADRP C[NH+](C)Cc1cc(C[NH2+]C2CC(n3cccn3)C2)ccc1F ZINC000638635419 430395933 /nfs/dbraw/zinc/39/59/33/430395933.db2.gz VYHYQUURFYYGNH-UHFFFAOYSA-N 2 0 302.397 2.577 20 0 DFADRP COCCN(C)CC[C@@H]([NH2+]CC1(O)CCCC1)c1ccccc1 ZINC000583495346 430400660 /nfs/dbraw/zinc/40/06/60/430400660.db2.gz ZXLZBWUWZXKSNQ-GOSISDBHSA-N 2 0 320.477 2.591 20 0 DFADRP Cc1ccc(C[C@@H](C)[NH2+]C2CC[NH+](CC(C)(C)O)CC2)s1 ZINC000638660717 430403376 /nfs/dbraw/zinc/40/33/76/430403376.db2.gz ULTLDQIGGBOWAV-CYBMUJFWSA-N 2 0 310.507 2.812 20 0 DFADRP C[C@@H]1C[C@H]([NH3+])CCN1CC(=O)Nc1ccccc1C(C)(C)C ZINC000568897818 430404240 /nfs/dbraw/zinc/40/42/40/430404240.db2.gz DGVMXXQTHXJQTL-ZIAGYGMSSA-N 2 0 303.450 2.734 20 0 DFADRP CC[NH+]1CCC(CC[NH2+][C@H](C)Cc2ccnc(OC)c2)CC1 ZINC000638693434 430411155 /nfs/dbraw/zinc/41/11/55/430411155.db2.gz SDESKOCWKICBEG-OAHLLOKOSA-N 2 0 305.466 2.733 20 0 DFADRP C[NH+](C)[C@H]1CCc2cc(NC(=O)C[C@@H]3CC[N@H+](C)C3)ccc21 ZINC000635997363 430433698 /nfs/dbraw/zinc/43/36/98/430433698.db2.gz UTTCSUOACMCFIR-GUYCJALGSA-N 2 0 301.434 2.516 20 0 DFADRP CC[C@@H]([NH3+])C(=O)NC[C@@H](CC(C)C)[NH2+][C@H](C)c1ccccc1 ZINC000569217275 430433759 /nfs/dbraw/zinc/43/37/59/430433759.db2.gz BOGJPXNQIMTYES-DJIMGWMZSA-N 2 0 305.466 2.605 20 0 DFADRP C[C@@H]1CC[C@@H](C[NH3+])N(CCC(=O)Nc2ccccc2F)[C@@H]1C ZINC000641809275 430480692 /nfs/dbraw/zinc/48/06/92/430480692.db2.gz QHMXCLKYZFZGAT-MCIONIFRSA-N 2 0 307.413 2.602 20 0 DFADRP C[C@H](O)C[NH2+]C[C@]1(C(C)(C)C)CC[N@H+](Cc2ccccc2)C1 ZINC000638796841 430436892 /nfs/dbraw/zinc/43/68/92/430436892.db2.gz MSNOCJZTECTOEX-QFBILLFUSA-N 2 0 304.478 2.895 20 0 DFADRP CC[N@H+](C)C[C@@H](O)CN1CCc2ccccc2[C@H]1c1ccccc1 ZINC000583942555 430444138 /nfs/dbraw/zinc/44/41/38/430444138.db2.gz IBLFZRMYJBNZHN-TZIWHRDSSA-N 2 0 324.468 2.947 20 0 DFADRP C[C@H]([N@H+](C)CC(=O)NC[C@H](c1ccccc1)[NH+](C)C)C(C)(C)C ZINC000548113907 430447443 /nfs/dbraw/zinc/44/74/43/430447443.db2.gz OJPJQCYENZDPIN-DOTOQJQBSA-N 2 0 319.493 2.772 20 0 DFADRP COc1cc(C[NH2+]CC2CCN(c3cc[nH+]cc3)CC2)sn1 ZINC000638836760 430450778 /nfs/dbraw/zinc/45/07/78/430450778.db2.gz KAYMVESDMGYHOF-UHFFFAOYSA-N 2 0 318.446 2.553 20 0 DFADRP C[C@H]([NH3+])CCC(=O)N[C@@H]1CCCCC[N@H+](Cc2ccccc2)C1 ZINC000638852286 430454937 /nfs/dbraw/zinc/45/49/37/430454937.db2.gz XBYUYBQOTOSBHD-FUHWJXTLSA-N 2 0 317.477 2.675 20 0 DFADRP C[C@@H]([NH3+])CCC(=O)N[C@H]1CCCCC[N@H+](Cc2ccccc2)C1 ZINC000638852285 430455484 /nfs/dbraw/zinc/45/54/84/430455484.db2.gz XBYUYBQOTOSBHD-AEFFLSMTSA-N 2 0 317.477 2.675 20 0 DFADRP C[C@H]([NH2+]Cc1ccncc1N)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000641746110 430458272 /nfs/dbraw/zinc/45/82/72/430458272.db2.gz MZJSTTXKKJQSFQ-YJBOKZPZSA-N 2 0 310.445 2.664 20 0 DFADRP CCC1([NH+]2CCCC2)CCN(C(=O)[C@@H]2CCCC[C@]2(C)[NH3+])CC1 ZINC000638862376 430459395 /nfs/dbraw/zinc/45/93/95/430459395.db2.gz UIKMYVHLXBSRRN-WMZOPIPTSA-N 2 0 321.509 2.761 20 0 DFADRP CCC1([NH+]2CCCC2)CCN(C(=O)[C@@H]2[NH2+]CCCC2(C)C)CC1 ZINC000638862341 430459970 /nfs/dbraw/zinc/45/99/70/430459970.db2.gz SOBQNRJYUFKJLJ-INIZCTEOSA-N 2 0 321.509 2.632 20 0 DFADRP CCO[C@@H](CC[NH+](C)C)C[NH2+]Cc1cc2ccccc2n1C ZINC000638880624 430465749 /nfs/dbraw/zinc/46/57/49/430465749.db2.gz NXICJSWLMWFGTK-KRWDZBQOSA-N 2 0 303.450 2.625 20 0 DFADRP Cc1ccc(NC(=O)C[C@H](C)[NH2+]CC2=CC[NH2+]CC2)c(Cl)c1 ZINC000569567471 430466487 /nfs/dbraw/zinc/46/64/87/430466487.db2.gz OYOKMEUWGLXJDH-ZDUSSCGKSA-N 2 0 321.852 2.875 20 0 DFADRP FC(F)(F)CO[C@H]1CCCN(CCC[NH+]2CCCCC2)C1 ZINC000548403846 430471182 /nfs/dbraw/zinc/47/11/82/430471182.db2.gz GMCLRSSQARKTIT-AWEZNQCLSA-N 2 0 308.388 2.906 20 0 DFADRP COC(=O)c1ccc(Cl)c(C[NH+]2CCC(CC[NH3+])CC2)c1 ZINC000569609037 430471196 /nfs/dbraw/zinc/47/11/96/430471196.db2.gz JXXRGVIKVFPCIV-UHFFFAOYSA-N 2 0 310.825 2.687 20 0 DFADRP C[C@@H]1CCC[C@@H](C)C1[NH2+]Cc1ccnc(OCC[NH+](C)C)c1 ZINC000358235095 277702067 /nfs/dbraw/zinc/70/20/67/277702067.db2.gz HZNYDTHLBBCAND-HUUCEWRRSA-N 2 0 305.466 2.936 20 0 DFADRP [NH3+][C@@H]1CCO[C@@H](C2CC[NH+](C[C@H]3CCC4(CCCC4)O3)CC2)C1 ZINC000641799664 430475628 /nfs/dbraw/zinc/47/56/28/430475628.db2.gz OPQCFCFICMBFTM-KZNAEPCWSA-N 2 0 322.493 2.697 20 0 DFADRP CC1(C)[C@H]([NH2+]CCOc2ccccc2Br)C[C@@H]1[NH3+] ZINC000641802490 430476722 /nfs/dbraw/zinc/47/67/22/430476722.db2.gz LUFSADYWECOHGI-QWHCGFSZSA-N 2 0 313.239 2.543 20 0 DFADRP [NH3+][C@@H]1CCO[C@H](C2CC[NH+](C[C@H]3CCC4(CCCC4)O3)CC2)C1 ZINC000641799662 430477248 /nfs/dbraw/zinc/47/72/48/430477248.db2.gz OPQCFCFICMBFTM-KURKYZTESA-N 2 0 322.493 2.697 20 0 DFADRP CCCc1nc(C)c(C[NH+]2CCC([C@@H]3C[C@H]([NH3+])CCO3)CC2)o1 ZINC000641798750 430477374 /nfs/dbraw/zinc/47/73/74/430477374.db2.gz HSTRTWZDVLNVIE-CVEARBPZSA-N 2 0 321.465 2.654 20 0 DFADRP CC1(C)[C@@H]([NH3+])C[C@@H]1[NH2+]CCC(=O)Nc1ccc(Cl)cc1F ZINC000641804175 430478397 /nfs/dbraw/zinc/47/83/97/430478397.db2.gz JACOAGGWQHDMKK-STQMWFEESA-N 2 0 313.804 2.523 20 0 DFADRP CO[C@@]1(C)CCC[NH+](CCCC[N@H+]2CCC[C@](C)(OC)C2)C1 ZINC000547770798 430420818 /nfs/dbraw/zinc/42/08/18/430420818.db2.gz HOSKMALGAQZFMB-ROUUACIJSA-N 2 0 312.498 2.768 20 0 DFADRP CCO[C@@H]1C[C@H]([NH2+]CCC[NH+](C(C)C)C(C)C)[C@]12CCCO2 ZINC000638735512 430421013 /nfs/dbraw/zinc/42/10/13/430421013.db2.gz OHVXSPPAKSSVQF-RCCFBDPRSA-N 2 0 312.498 2.812 20 0 DFADRP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCC[N@@H+]2C[C@H]2CCC3(CCCC3)O2)C1 ZINC000641818037 430482956 /nfs/dbraw/zinc/48/29/56/430482956.db2.gz CCJLVBFFHAERKX-TVFCKZIOSA-N 2 0 322.493 2.839 20 0 DFADRP [NH3+]C[C@H]1CC[C@H](NC(=O)c2cccc(C[NH+]3CCCC3)c2)CC1 ZINC000638967196 430484064 /nfs/dbraw/zinc/48/40/64/430484064.db2.gz JXUKTBWXVIJSNS-RZDIXWSQSA-N 2 0 315.461 2.530 20 0 DFADRP O[C@@H]1CC[N@H+](Cc2ccccc2C[NH2+]C[C@@H]2CC[C@H]3C[C@H]3C2)C1 ZINC000638976489 430486209 /nfs/dbraw/zinc/48/62/09/430486209.db2.gz ISTPWMZDCHEGQE-WOUAJJJCSA-N 2 0 314.473 2.779 20 0 DFADRP Cc1ccc(CC[NH2+]Cc2ccccc2C[N@@H+]2CC[C@H](O)C2)cc1 ZINC000638977565 430486553 /nfs/dbraw/zinc/48/65/53/430486553.db2.gz VAVCYHFUPNRKAM-NRFANRHFSA-N 2 0 324.468 2.894 20 0 DFADRP C[C@@H](CC1CCCC1)C(=O)Nc1cc(N2CC[NH2+]CC2)cc[nH+]1 ZINC000638986372 430487671 /nfs/dbraw/zinc/48/76/71/430487671.db2.gz LZBVCYMRJBXOQC-AWEZNQCLSA-N 2 0 316.449 2.646 20 0 DFADRP CC(C)(O)C[NH+]1CCC([NH2+][C@@H]2CCCc3sccc32)CC1 ZINC000639053580 430503790 /nfs/dbraw/zinc/50/37/90/430503790.db2.gz IXRKOWFINDNDCS-OAHLLOKOSA-N 2 0 308.491 2.950 20 0 DFADRP CC[C@H](C)[C@@H](C[N@@H+]1CC[C@@H](CN(C)Cc2cccnc2)C1)OC ZINC000639080349 430515495 /nfs/dbraw/zinc/51/54/95/430515495.db2.gz LGJLKGHOBFJTGJ-YTQUADARSA-N 2 0 319.493 2.896 20 0 DFADRP Cc1cccc(NC(=O)C[C@@H](C)[NH2+]CC2([NH3+])CCCCC2)c1 ZINC000570200306 430521479 /nfs/dbraw/zinc/52/14/79/430521479.db2.gz XKDQCDLFDCVEOP-OAHLLOKOSA-N 2 0 303.450 2.963 20 0 DFADRP C[C@@H]1C[C@H](Nc2cccc3c2OCC[C@H]3[NH+](C)C)CC[N@@H+]1C ZINC000639114625 430530501 /nfs/dbraw/zinc/53/05/01/430530501.db2.gz GMEZFRCLRCFAJY-CKEIUWERSA-N 2 0 303.450 2.966 20 0 DFADRP CC(C)(O)C[NH+]1CCC([NH2+]CCCc2ccccc2F)CC1 ZINC000639127217 430533666 /nfs/dbraw/zinc/53/36/66/430533666.db2.gz MXMGCFKTPCKIBP-UHFFFAOYSA-N 2 0 308.441 2.583 20 0 DFADRP COc1cccc(C)c1C[N@@H+]1CCC[C@@H](CN2CCOCC2)C1 ZINC000639139231 430538739 /nfs/dbraw/zinc/53/87/39/430538739.db2.gz LDPNNDFDSLWBSM-KRWDZBQOSA-N 2 0 318.461 2.548 20 0 DFADRP C[C@@H]([NH2+]CCC[NH+]1CCCC1)C1CCN(CC(F)(F)F)CC1 ZINC000551045069 430548366 /nfs/dbraw/zinc/54/83/66/430548366.db2.gz GKSJNDKPICSMKP-CQSZACIVSA-N 2 0 321.431 2.725 20 0 DFADRP CC(C)C[C@@H](C[NH+]1CCCC1)NC1CC[NH+](CC2CC2)CC1 ZINC000570516943 430550091 /nfs/dbraw/zinc/55/00/91/430550091.db2.gz MEZCIKQKGMFDNT-IBGZPJMESA-N 2 0 307.526 2.961 20 0 DFADRP COc1cncc(C[N@@H+]2CC[C@H](C3CC[NH+](C)CC3)C2)c1C ZINC000639177328 430554990 /nfs/dbraw/zinc/55/49/90/430554990.db2.gz RUQLJRALFJVWJM-INIZCTEOSA-N 2 0 303.450 2.562 20 0 DFADRP C[C@H]([NH2+]C[C@@H]1CCN(c2ccc(Cl)cc2)C1)[C@@H]1CC[NH2+]C1 ZINC000643453199 430602540 /nfs/dbraw/zinc/60/25/40/430602540.db2.gz ONYFTIIQGFRYTN-SOUVJXGZSA-N 2 0 307.869 2.754 20 0 DFADRP C[C@H]1CC[N@H+](Cc2ccc(CN3CCOCC3)cc2)C[C@H]1F ZINC000643251815 430566649 /nfs/dbraw/zinc/56/66/49/430566649.db2.gz CGJHVFTWZVZPSZ-MAUKXSAKSA-N 2 0 306.425 2.699 20 0 DFADRP C[C@@H](CN[C@H]1CC[N@H+](C2CC2)[C@H](c2ccccc2)C1)[NH+](C)C ZINC000639233936 430581762 /nfs/dbraw/zinc/58/17/62/430581762.db2.gz YZRAWBIDCTYJJM-IEZWGBDMSA-N 2 0 301.478 2.894 20 0 DFADRP CO[C@](C)(C[NH2+]Cc1ccc(OCC[NH+](C)C)cc1)C1CC1 ZINC000643338932 430585812 /nfs/dbraw/zinc/58/58/12/430585812.db2.gz GNJGDQQOMOOVQD-GOSISDBHSA-N 2 0 306.450 2.532 20 0 DFADRP Cc1nc2ccccc2n1CCCCC[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000643366957 430594199 /nfs/dbraw/zinc/59/41/99/430594199.db2.gz LTDBSSPPWIRZIV-IAGOWNOFSA-N 2 0 312.461 2.666 20 0 DFADRP COc1cc2c(cc1F)[nH+]ccc2N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000643031618 430543515 /nfs/dbraw/zinc/54/35/15/430543515.db2.gz TWPARMODMROHQT-NHYWBVRUSA-N 2 0 301.365 2.571 20 0 DFADRP CC(C)C[N@@H+]1CCC[C@@H](C[NH2+][C@@H]2COc3ccccc3C2)C1 ZINC000550700405 430545466 /nfs/dbraw/zinc/54/54/66/430545466.db2.gz HVOUHJSGSMMBNQ-WMZOPIPTSA-N 2 0 302.462 2.948 20 0 DFADRP C(CN1CCCC[C@H]1c1noc(C2CC2)n1)[C@@H]1CCC[NH2+]C1 ZINC000643057525 430545885 /nfs/dbraw/zinc/54/58/85/430545885.db2.gz NGMZLWDOHKCLOR-ZFWWWQNUSA-N 2 0 304.438 2.864 20 0 DFADRP [NH3+]C[C@H]1CN(c2ccnc3cc(F)c(Cl)cc32)CCCO1 ZINC000643052980 430546167 /nfs/dbraw/zinc/54/61/67/430546167.db2.gz HZLYGZLLTFYBPL-JTQLQIEISA-N 2 0 309.772 2.581 20 0 DFADRP O[C@H]1CC[N@H+](Cc2ccccc2C[NH2+][C@@H]2CCC[C@H]3C[C@H]32)C1 ZINC000554714546 430649817 /nfs/dbraw/zinc/64/98/17/430649817.db2.gz BYWKFWWZUNOURA-WQANXHIZSA-N 2 0 300.446 2.531 20 0 DFADRP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@@H+]2C[C@H]1CCC2(CCCC2)O1 ZINC000554825759 430652022 /nfs/dbraw/zinc/65/20/22/430652022.db2.gz ZLJYGRLVHUVXIK-TVFCKZIOSA-N 2 0 322.493 2.662 20 0 DFADRP C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2cccc(-n3cccn3)c2)C1 ZINC000554885605 430654315 /nfs/dbraw/zinc/65/43/15/430654315.db2.gz CKAKBNQEKMTYGV-IEBWSBKVSA-N 2 0 310.445 2.788 20 0 DFADRP C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2cccc(-n3cccn3)c2)C1 ZINC000554885606 430654633 /nfs/dbraw/zinc/65/46/33/430654633.db2.gz CKAKBNQEKMTYGV-MJGOQNOKSA-N 2 0 310.445 2.788 20 0 DFADRP CO[C@@H](C[NH2+]CC1CC[NH+](C2CCOCC2)CC1)CC(C)C ZINC000639302381 430602612 /nfs/dbraw/zinc/60/26/12/430602612.db2.gz DOYWXXCAZRGEBN-GOSISDBHSA-N 2 0 312.498 2.528 20 0 DFADRP C[C@@H]([NH2+]C[C@@H]1CCN(c2ccc(Cl)cc2)C1)[C@@H]1CCC[NH2+]1 ZINC000643453114 430602608 /nfs/dbraw/zinc/60/26/08/430602608.db2.gz IEXISEQASNGMPT-KEYYUXOJSA-N 2 0 307.869 2.896 20 0 DFADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]C[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000643457670 430603802 /nfs/dbraw/zinc/60/38/02/430603802.db2.gz WHZUABUHSHFPOR-MISYRCLQSA-N 3 0 315.505 2.876 20 0 DFADRP O[C@H](CCc1ccccc1)C[NH2+]C1CC([NH+]2CCCCC2)C1 ZINC000571910385 430660794 /nfs/dbraw/zinc/66/07/94/430660794.db2.gz UZVIPABCOXNILH-CTWPCTMYSA-N 2 0 302.462 2.587 20 0 DFADRP O[C@@H]1CC[N@H+](Cc2ccc(C[NH2+]C[C@@H]3CC[C@H]4C[C@H]4C3)cc2)C1 ZINC000639307750 430604730 /nfs/dbraw/zinc/60/47/30/430604730.db2.gz GYADUEQSMVUVKS-IYWMVGAKSA-N 2 0 314.473 2.779 20 0 DFADRP Cc1cc(F)ccc1C[C@H](C)[NH2+]C1CC[NH+](CC(C)(C)O)CC1 ZINC000639305028 430604954 /nfs/dbraw/zinc/60/49/54/430604954.db2.gz IDCUBFXKELMZGW-HNNXBMFYSA-N 2 0 322.468 2.890 20 0 DFADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+][C@H]1CCN(C(=O)C2CCCC2)C1 ZINC000643463206 430604978 /nfs/dbraw/zinc/60/49/78/430604978.db2.gz KWUOUVZVCLWBAC-NJAFHUGGSA-N 2 0 321.509 2.678 20 0 DFADRP C[C@H]([NH2+]CCCc1cccc(Br)c1)[C@@H]1CC[NH2+]C1 ZINC000643469444 430605465 /nfs/dbraw/zinc/60/54/65/430605465.db2.gz WEVUGOSFPXMUKA-GXTWGEPZSA-N 2 0 311.267 2.969 20 0 DFADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+][C@H](CO)[C@@H](C)c1ccccc1 ZINC000643474437 430607011 /nfs/dbraw/zinc/60/70/11/430607011.db2.gz LVBDLPMLRXLVRO-ZUEVXXBESA-N 2 0 313.445 2.664 20 0 DFADRP C[C@H](N[C@@H]1CC[N@H+](Cc2ccccc2)[C@H]1C)[C@H]1CCC[NH2+]C1 ZINC000643489594 430608559 /nfs/dbraw/zinc/60/85/59/430608559.db2.gz UEZKGXNONWRERA-PBWTXFEYSA-N 2 0 301.478 2.627 20 0 DFADRP COC[C@@H]([NH2+]CC1CC[NH2+]CC1)c1cccc(Cl)c1F ZINC000643497178 430608851 /nfs/dbraw/zinc/60/88/51/430608851.db2.gz KNNWSUANFDGPNY-CQSZACIVSA-N 2 0 300.805 2.756 20 0 DFADRP CC[NH+](CC)[C@H](CNC(=O)C[N@@H+]1CC[C@@H](C)C1)c1ccccc1 ZINC000553177851 430610798 /nfs/dbraw/zinc/61/07/98/430610798.db2.gz SODROYCBFTWMAN-SJLPKXTDSA-N 2 0 317.477 2.528 20 0 DFADRP CCC[C@H]([NH2+][C@@H]1CCC(=O)N[C@H]1c1cncn1C)[C@@H]1CC1(C)C ZINC000571178762 430610927 /nfs/dbraw/zinc/61/09/27/430610927.db2.gz OTYNQCKNQOFBKZ-SZOQZIPDSA-N 2 0 318.465 2.544 20 0 DFADRP [NH3+]C[C@H]1CCC[C@H]1[NH2+]C1CCC2(CC1)c1ccccc1NC2=O ZINC000643512224 430611939 /nfs/dbraw/zinc/61/19/39/430611939.db2.gz CSJWEXVGIZSOGP-NYNFEOTOSA-N 2 0 313.445 2.536 20 0 DFADRP Fc1ccc(N2CCC([NH2+][C@@H]3CCC[NH2+]CC3)CC2)c(F)c1 ZINC000643522568 430612508 /nfs/dbraw/zinc/61/25/08/430612508.db2.gz PMAXGEIWUVGMHU-CQSZACIVSA-N 2 0 309.404 2.665 20 0 DFADRP COc1cc([C@@H](C)[NH2+][C@@H]2CC23CC[NH2+]CC3)cc(OC)c1OC ZINC000643534054 430612802 /nfs/dbraw/zinc/61/28/02/430612802.db2.gz KIQWUQMWMYNKEJ-MLGOLLRUSA-N 2 0 320.433 2.505 20 0 DFADRP COc1ccc2c(c1)[C@H]([NH2+][C@@H]1CC13CC[NH2+]CC3)CCCO2 ZINC000643534936 430613378 /nfs/dbraw/zinc/61/33/78/430613378.db2.gz FZOUSULWRAGPKF-NVXWUHKLSA-N 2 0 302.418 2.641 20 0 DFADRP C[C@H]([NH2+]C[C@@H]1CCC[C@@H]([NH3+])C1)c1cccc(N2CCOCC2)c1 ZINC000643540965 430614130 /nfs/dbraw/zinc/61/41/30/430614130.db2.gz IXOJHJKNKRLBFB-LZLYRXPVSA-N 2 0 317.477 2.691 20 0 DFADRP COc1ccc([C@H]2C[C@@H]2[C@H](C)[NH2+][C@@H]2CC23CC[NH2+]CC3)cc1 ZINC000643536011 430614213 /nfs/dbraw/zinc/61/42/13/430614213.db2.gz LWMBEQXQOPQOAT-OKDNKWQNSA-N 2 0 300.446 2.919 20 0 DFADRP c1ccc([C@H](C[C@@H]2CCOC2)[NH2+][C@H]2CC23CC[NH2+]CC3)cc1 ZINC000643536517 430614307 /nfs/dbraw/zinc/61/43/07/430614307.db2.gz UOJPBEDNHFXPCX-SZMVWBNQSA-N 2 0 300.446 2.886 20 0 DFADRP CC(C)(C)[NH+]1CCC([NH2+][C@H]2CCC[C@@H](N3CCCC3=O)C2)CC1 ZINC000571225781 430614975 /nfs/dbraw/zinc/61/49/75/430614975.db2.gz BEKPDEJGGVCFCO-DLBZAZTESA-N 2 0 321.509 2.773 20 0 DFADRP C[C@H]([NH2+][C@@H]1CC[NH2+]C2(CCC2)C1)c1ccccc1-n1ccnn1 ZINC000643547631 430615738 /nfs/dbraw/zinc/61/57/38/430615738.db2.gz IOHBHTRXLOKOBG-LSDHHAIUSA-N 2 0 311.433 2.593 20 0 DFADRP CCSc1cccc(C[NH2+][C@@H]2CCC[C@@H]2N2CC[C@H](O)C2)c1 ZINC000639371276 430622665 /nfs/dbraw/zinc/62/26/65/430622665.db2.gz GCROQSSHDBSMBF-JQHSSLGASA-N 2 0 320.502 2.876 20 0 DFADRP C[C@@H](CCc1ccccc1)[NH2+][C@@H]1CCC[C@@H]1N1CC[C@H](O)C1 ZINC000639373693 430624347 /nfs/dbraw/zinc/62/43/47/430624347.db2.gz SYDOXNCUOLHFGV-KANFNMMFSA-N 2 0 302.462 2.585 20 0 DFADRP O[C@@H]1CCN([C@@H]2CCC[C@@H]2[NH2+][C@H]2CCCc3ccccc3C2)C1 ZINC000639373736 430625583 /nfs/dbraw/zinc/62/55/83/430625583.db2.gz UGAJQOGUNKOLMB-ZGXWSNOMSA-N 2 0 314.473 2.511 20 0 DFADRP COc1ccc([C@H](OC)[C@H](C)[NH2+][C@@H](C)[C@@H]2CCC[NH2+]C2)cc1 ZINC000571431470 430627307 /nfs/dbraw/zinc/62/73/07/430627307.db2.gz JGKHBXUEMVEIOZ-KJGCVMFHSA-N 2 0 306.450 2.749 20 0 DFADRP CC(C)[C@H](CO)C[NH2+][C@@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000554376653 430634662 /nfs/dbraw/zinc/63/46/62/430634662.db2.gz DIGGZONSWZTHJB-NZSAHSFTSA-N 2 0 304.478 2.894 20 0 DFADRP C[N@H+](Cc1cc[nH]c(=O)c1)C1CCN(Cc2ccccc2)CC1 ZINC000639531136 430663959 /nfs/dbraw/zinc/66/39/59/430663959.db2.gz UYKLTPFBSWUSIR-UHFFFAOYSA-N 2 0 311.429 2.884 20 0 DFADRP C[C@H](c1ccccc1)[C@@H](O)C[NH2+]C1CC[NH+](C2CCC2)CC1 ZINC000572028538 430667931 /nfs/dbraw/zinc/66/79/31/430667931.db2.gz BYFUNOUUMYEXDM-BEFAXECRSA-N 2 0 302.462 2.758 20 0 DFADRP [NH3+][C@@H]1CCC[C@@H]([NH2+]CCc2cnc(SC3CCCC3)nc2)C1 ZINC000572257320 430678361 /nfs/dbraw/zinc/67/83/61/430678361.db2.gz MGQCKMCVLQGSFB-HUUCEWRRSA-N 2 0 320.506 2.913 20 0 DFADRP COC[C@H](Cc1ccccc1)[N@H+](C)CCCc1cncn1C ZINC000572254755 430678574 /nfs/dbraw/zinc/67/85/74/430678574.db2.gz YHORUXZWEKYKMR-SFHVURJKSA-N 2 0 301.434 2.542 20 0 DFADRP C[C@@H]1C[C@H](NC(=O)[C@@H]2CCCC[NH+]2C2CCCC2)C[N@@H+]1C1CC1 ZINC000372967069 278022606 /nfs/dbraw/zinc/02/26/06/278022606.db2.gz SWWJDLFHQYTAHK-VKJFTORMSA-N 2 0 319.493 2.525 20 0 DFADRP C[C@@H]1C[C@H]([NH2+]CCCN2CCC[N@H+](C)CC2)c2ccccc21 ZINC000289102561 278025655 /nfs/dbraw/zinc/02/56/55/278025655.db2.gz CFYAMWIOEXRXSI-APWZRJJASA-N 2 0 301.478 2.852 20 0 DFADRP COCC[NH2+]C1CC[NH+](CCCCOc2ccccc2)CC1 ZINC000572411185 430686366 /nfs/dbraw/zinc/68/63/66/430686366.db2.gz GMRJXCSNPNSZRI-UHFFFAOYSA-N 2 0 306.450 2.546 20 0 DFADRP C[C@@H](C(=O)Nc1ccc2c(c1F)CC[NH2+]C2)[NH+]1CCCCCC1 ZINC000261679040 278214874 /nfs/dbraw/zinc/21/48/74/278214874.db2.gz HGNQPFDCNRANKC-ZDUSSCGKSA-N 2 0 319.424 2.674 20 0 DFADRP C[NH+](C)[C@H](CN[C@@H]1CC[N@H+](C)[C@@H]2CCC[C@H]21)C1CCCCC1 ZINC000556874961 430695182 /nfs/dbraw/zinc/69/51/82/430695182.db2.gz HRNARYJQZMABII-WJFTUGDTSA-N 2 0 307.526 2.959 20 0 DFADRP C[C@@H](CCN[C@H]1CC[N@H+](C)[C@H](C)C1)[NH+](C)Cc1ccccc1 ZINC000246985768 278233925 /nfs/dbraw/zinc/23/39/25/278233925.db2.gz JCHQXSFIESPDGQ-SCTDSRPQSA-N 2 0 303.494 2.969 20 0 DFADRP CC(CC[NH+](C)C1CCOCC1)CC[N@H+](C)C1CCOCC1 ZINC000556809884 430693607 /nfs/dbraw/zinc/69/36/07/430693607.db2.gz QRUDPDIEQCVMCQ-UHFFFAOYSA-N 2 0 312.498 2.624 20 0 DFADRP Cc1ncncc1[C@H](C)[NH2+]Cc1ccc(F)c(C[NH+](C)C)c1 ZINC000572662010 430694015 /nfs/dbraw/zinc/69/40/15/430694015.db2.gz YISJXSHRIWDHQG-LBPRGKRZSA-N 2 0 302.397 2.837 20 0 DFADRP C[C@H](N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)[C@H](c1ccccc1)[NH+](C)C ZINC000186321380 278274677 /nfs/dbraw/zinc/27/46/77/278274677.db2.gz FSNRUUGKPDLDJO-JCHJZTRSSA-N 2 0 301.478 2.894 20 0 DFADRP CC(C)(C[NH2+][C@@H]1CCC[C@@H]([NH3+])C1)c1ccc2c(c1)OCCO2 ZINC000572662483 430694215 /nfs/dbraw/zinc/69/42/15/430694215.db2.gz NSMAZHVIQNZDRL-HUUCEWRRSA-N 2 0 304.434 2.595 20 0 DFADRP C[C@@H](C[NH2+][C@H]1CCCCc2ccccc21)CN1CC[NH+](C)CC1 ZINC000121018486 278286562 /nfs/dbraw/zinc/28/65/62/278286562.db2.gz LFVSFZMOFARDSD-PXNSSMCTSA-N 2 0 315.505 2.927 20 0 DFADRP Clc1cccc(-c2n[nH]cc2C[NH2+]CC[C@H]2CC[NH2+]C2)c1 ZINC000556934093 430696335 /nfs/dbraw/zinc/69/63/35/430696335.db2.gz IYPPXTASJGTKNH-GFCCVEGCSA-N 2 0 304.825 2.819 20 0 DFADRP c1cc2c(cc1C[N@@H+]1CC[C@@H](C3CCOCC3)C1)C[NH2+]CC2 ZINC000572772746 430696990 /nfs/dbraw/zinc/69/69/90/430696990.db2.gz MTRFRRYYOFZBKM-GOSISDBHSA-N 2 0 300.446 2.581 20 0 DFADRP C[C@@H]([NH2+]CCCn1cccn1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272652362 278346373 /nfs/dbraw/zinc/34/63/73/278346373.db2.gz KQOVIQXQDHSIMV-IEBWSBKVSA-N 2 0 312.461 2.773 20 0 DFADRP C[NH+]1CCN(C(C)(C)C[NH2+]C2CCc3ccccc3CC2)CC1 ZINC000651184930 430728679 /nfs/dbraw/zinc/72/86/79/430728679.db2.gz LUKXBKGYLJPCSX-UHFFFAOYSA-N 2 0 315.505 2.550 20 0 DFADRP Cc1cc(C)c(C[NH2+]C2CCN([C@@H]3CCOC3)CC2)cc1C ZINC000657750224 430725159 /nfs/dbraw/zinc/72/51/59/430725159.db2.gz DRXYTRGKZGGMDK-LJQANCHMSA-N 2 0 302.462 2.955 20 0 DFADRP CN1CC[NH+](CCCC[NH2+][C@@H]2CCCc3ccccc3C2)CC1 ZINC000648419170 430781247 /nfs/dbraw/zinc/78/12/47/430781247.db2.gz ZZPNUMQBFRIHCB-HXUWFJFHSA-N 2 0 315.505 2.551 20 0 DFADRP Cn1cc(C[NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)CC23CCC3)cn1 ZINC000657771226 430732230 /nfs/dbraw/zinc/73/22/30/430732230.db2.gz FVVWRKLOTAFCDD-LJQANCHMSA-N 2 0 324.472 2.812 20 0 DFADRP c1nc(C2CC2)ncc1C[NH2+]CC1CC[NH+](CC2CC2)CC1 ZINC000657814082 430743392 /nfs/dbraw/zinc/74/33/92/430743392.db2.gz HKMRSBWXAPZVDS-UHFFFAOYSA-N 2 0 300.450 2.566 20 0 DFADRP OCC1(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@H]3CCC[C@H]32)CC1 ZINC000651241626 430748044 /nfs/dbraw/zinc/74/80/44/430748044.db2.gz XCDWFQNZQDLFOA-OTWHNJEPSA-N 2 0 314.473 2.792 20 0 DFADRP CC[NH+]1CCC(CC[NH2+]CCC(=O)Nc2ccccc2F)CC1 ZINC000644576633 430758678 /nfs/dbraw/zinc/75/86/78/430758678.db2.gz NKSKCIKRHZKYTN-UHFFFAOYSA-N 2 0 321.440 2.866 20 0 DFADRP C[NH+]1CCC(N2CC[C@H]([NH2+][C@H]3[C@@H]4CCC[C@@H]4C3(C)C)C2)CC1 ZINC000657881961 430758977 /nfs/dbraw/zinc/75/89/77/430758977.db2.gz ZZRSVLVCBKCOSX-RANZSIQMSA-N 2 0 305.510 2.569 20 0 DFADRP CC[C@H](Cc1ccc(Cl)cc1)[NH2+][C@H](C)CN1CC[NH+](C)CC1 ZINC000657877045 430759157 /nfs/dbraw/zinc/75/91/57/430759157.db2.gz BGXOBURTXMYWBR-CRAIPNDOSA-N 2 0 323.912 2.887 20 0 DFADRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H]2CCCSCC2)[C@@H](C)C1 ZINC000657884453 430761679 /nfs/dbraw/zinc/76/16/79/430761679.db2.gz ULFBYIWWZHYUHZ-BBWFWOEESA-N 2 0 314.539 2.999 20 0 DFADRP CC[C@H]1C[C@@H]([NH2+]Cc2ccc(CN3CCOCC3)cc2)CCO1 ZINC000648406032 430775816 /nfs/dbraw/zinc/77/58/16/430775816.db2.gz AFHXDYLFHODQHB-OALUTQOASA-N 2 0 318.461 2.566 20 0 DFADRP CC[NH+]1CCN([C@@H](C)C[NH2+][C@H]2CCCc3ccccc3C2)CC1 ZINC000648421184 430780708 /nfs/dbraw/zinc/78/07/08/430780708.db2.gz QOCWFVLXUIFQBY-PXNSSMCTSA-N 2 0 315.505 2.550 20 0 DFADRP C[C@@H](CN(C)CCC[NH+](C)C)[NH2+][C@@H]1Cc2ccc(Cl)cc2C1 ZINC000658109249 430815553 /nfs/dbraw/zinc/81/55/53/430815553.db2.gz SOHGXZBWNCECNT-KBXCAEBGSA-N 2 0 323.912 2.669 20 0 DFADRP O[C@@H]1CC[N@H+](Cc2ccc(C[NH2+][C@@H]3CCC[C@@H]3CCF)cc2)C1 ZINC000658134922 430821167 /nfs/dbraw/zinc/82/11/67/430821167.db2.gz CFNAYMITCUVYDN-GUDVDZBRSA-N 2 0 320.452 2.871 20 0 DFADRP O[C@H]1CC[N@H+](Cc2ccc(C[NH2+][C@@H]3CCC[C@H]4C[C@H]43)cc2)C1 ZINC000658137150 430823840 /nfs/dbraw/zinc/82/38/40/430823840.db2.gz JBPZBOJLFPTPRG-INDMIFKZSA-N 2 0 300.446 2.531 20 0 DFADRP C[C@@H]([NH2+]Cc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1)c1ccco1 ZINC000658147352 430825672 /nfs/dbraw/zinc/82/56/72/430825672.db2.gz ZGGPWKKUNODPLF-RHSMWYFYSA-N 2 0 300.402 2.697 20 0 DFADRP CC[C@H]1C[C@@H]([NH2+]Cc2ccccc2OCC[NH+](C)C)CCO1 ZINC000648438096 430787330 /nfs/dbraw/zinc/78/73/30/430787330.db2.gz LECLSNOWTHCYTO-IRXDYDNUSA-N 2 0 306.450 2.674 20 0 DFADRP C[C@@H]([NH2+]CC1CC[NH+](C2CCOCC2)CC1)c1ccccn1 ZINC000658067944 430797387 /nfs/dbraw/zinc/79/73/87/430797387.db2.gz SNNSMMLKSCYGJT-OAHLLOKOSA-N 2 0 303.450 2.623 20 0 DFADRP FCC[C@H]1CCC[C@H]1[NH2+]CC1CC[NH+](C2CCOCC2)CC1 ZINC000658070060 430797724 /nfs/dbraw/zinc/79/77/24/430797724.db2.gz KMURSFAUHUJVJJ-SJLPKXTDSA-N 2 0 312.473 2.995 20 0 DFADRP CO[C@H](C[NH2+]C1CC[NH+]([C@@H]2CCC[C@H](C)C2)CC1)[C@@H]1CCOC1 ZINC000658074551 430800278 /nfs/dbraw/zinc/80/02/78/430800278.db2.gz UDCPYECLWKNKGN-QFHJOOASSA-N 2 0 324.509 2.671 20 0 DFADRP C[N@@H+]1CC[C@H]([NH2+]C2CCC(OC(F)F)CC2)[C@@H]2CCC[C@@H]21 ZINC000651467927 430802849 /nfs/dbraw/zinc/80/28/49/430802849.db2.gz NFSXALQIQNOEOJ-HGSUQPQSSA-N 2 0 302.409 2.999 20 0 DFADRP CC[C@H]([NH2+][C@@H](C)CN1CC[NH+](C)CC1)c1cc(C)ccc1OC ZINC000093406111 288059436 /nfs/dbraw/zinc/05/94/36/288059436.db2.gz JIAHNHXBQVSQBR-WMZOPIPTSA-N 2 0 319.493 2.680 20 0 DFADRP C[NH+]1CCC(O)(C[NH2+][C@H]2CCc3ccc(F)c(Cl)c32)CC1 ZINC000651720678 430857892 /nfs/dbraw/zinc/85/78/92/430857892.db2.gz HKWVEHMKUJBILB-ZDUSSCGKSA-N 2 0 312.816 2.513 20 0 DFADRP C[C@H]([NH3+])[C@@H]1COCC[C@H]1[NH2+]Cc1cc(Cl)cc(Cl)c1 ZINC000665229410 430861835 /nfs/dbraw/zinc/86/18/35/430861835.db2.gz XQVSBJXRTABCHZ-QCZZGDTMSA-N 2 0 303.233 2.835 20 0 DFADRP O[C@@H]1CCC[C@@H]1[NH+]1CCC([NH2+]Cc2cccc3c2CCC3)CC1 ZINC000651733400 430862757 /nfs/dbraw/zinc/86/27/57/430862757.db2.gz GNAGPPYWSQSWJY-VQTJNVASSA-N 2 0 314.473 2.643 20 0 DFADRP CCCN1CC[C@H]([NH2+][C@@H](C)c2ccc(OCC[NH+](C)C)cc2)C1 ZINC000658287897 430864573 /nfs/dbraw/zinc/86/45/73/430864573.db2.gz ONESBTZSCDTMIK-WMZOPIPTSA-N 2 0 319.493 2.762 20 0 DFADRP Cc1ccncc1CC[NH2+][C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000665239815 430866618 /nfs/dbraw/zinc/86/66/18/430866618.db2.gz ZXUYYTQLMQLSFA-AZUAARDMSA-N 2 0 323.440 2.778 20 0 DFADRP [NH3+]C1CCC([NH2+]Cc2cccc(COC[C@H]3CCCO3)c2)CC1 ZINC000665294534 430889305 /nfs/dbraw/zinc/88/93/05/430889305.db2.gz QOGSNOXIWHQJRS-CTWPCTMYSA-N 2 0 318.461 2.742 20 0 DFADRP CC1=C(C)C[C@H](C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)CC1 ZINC000648781396 430889468 /nfs/dbraw/zinc/88/94/68/430889468.db2.gz GDGWBANXEDRUAQ-GOSISDBHSA-N 2 0 323.525 2.855 20 0 DFADRP Cn1ncc(C2CC2)c1C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1 ZINC000665264568 430874345 /nfs/dbraw/zinc/87/43/45/430874345.db2.gz CHARYZARPNXOGU-HYVNUMGLSA-N 2 0 302.466 2.698 20 0 DFADRP Fc1ccc2c(c1)OC[C@H]([NH2+][C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1)C2 ZINC000665266692 430877190 /nfs/dbraw/zinc/87/71/90/430877190.db2.gz HXJLBKQDROITTA-QBPKDAKJSA-N 2 0 304.409 2.640 20 0 DFADRP C1C[NH2+][C@@H]([C@H]2CCC[C@H]2N[C@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC000665267155 430877360 /nfs/dbraw/zinc/87/73/60/430877360.db2.gz QQNJNKOQOJOMPE-JCHJZTRSSA-N 2 0 305.510 2.904 20 0 DFADRP CCC[N@@H+]1CC[C@H](N[C@@H](c2ccc(OC)cc2)[C@H]2CCC[NH2+]2)C1 ZINC000665273908 430878491 /nfs/dbraw/zinc/87/84/91/430878491.db2.gz GNCYBXRQXVMJIZ-UHOSZYNNSA-N 2 0 317.477 2.562 20 0 DFADRP CNC(=O)CC1(C[NH2+][C@@H](C)C[C@@H]2CCCCC[NH2+]2)CCCCC1 ZINC000665275515 430879527 /nfs/dbraw/zinc/87/95/27/430879527.db2.gz MFAAZKFKRCZRGC-IRXDYDNUSA-N 2 0 323.525 2.973 20 0 DFADRP C[NH+](C)CCCC(C)(C)[NH2+]Cc1ccc(C(=O)NC2CC2)cc1 ZINC000648752666 430880818 /nfs/dbraw/zinc/88/08/18/430880818.db2.gz SVNVOUYYNAUBNW-UHFFFAOYSA-N 2 0 317.477 2.789 20 0 DFADRP C[C@H]([NH2+]CC1CC[NH+](CC2CC2)CC1)c1cccc(CO)c1 ZINC000658355325 430882310 /nfs/dbraw/zinc/88/23/10/430882310.db2.gz IBFXIWSJHNCPTI-HNNXBMFYSA-N 2 0 302.462 2.952 20 0 DFADRP CCc1nccn1[C@@H](C)CC(=O)Nc1ccc2nc(C)cn2c1 ZINC000648760165 430882909 /nfs/dbraw/zinc/88/29/09/430882909.db2.gz JYOOHDWXPMJOIL-ZDUSSCGKSA-N 2 0 311.389 2.991 20 0 DFADRP C[N@@H+]1CC[C@H]([NH2+]CC2CC[NH+](CC3CC3)CC2)[C@@H]2CCC[C@@H]21 ZINC000658351956 430882941 /nfs/dbraw/zinc/88/29/41/430882941.db2.gz BQXPIETYQHEYHX-FHWLQOOXSA-N 3 0 305.510 2.571 20 0 DFADRP C[C@@H]([NH2+]C[C@@H]1CCN1Cc1ccccc1)C1CC[NH+](C)CC1 ZINC000658349009 430883069 /nfs/dbraw/zinc/88/30/69/430883069.db2.gz QSAAZDHCQJFJER-APWZRJJASA-N 2 0 301.478 2.581 20 0 DFADRP C[NH2+]CCCC(=O)N1CCC([NH2+][C@H](C)C2CCCCCC2)CC1 ZINC000665287094 430884604 /nfs/dbraw/zinc/88/46/04/430884604.db2.gz BMUOSHXPYSUIGF-MRXNPFEDSA-N 2 0 323.525 2.926 20 0 DFADRP C([NH2+]C1CC[NH+](CC2CC2)CC1)C1CC[NH+](CC2CC2)CC1 ZINC000658355532 430885944 /nfs/dbraw/zinc/88/59/44/430885944.db2.gz JMIOIWLIRDXSRA-UHFFFAOYSA-N 3 0 305.510 2.572 20 0 DFADRP C[NH2+]CCCC(=O)N1CCC([NH2+][C@@H](C)CCC(C)(C)C)CC1 ZINC000665289532 430886396 /nfs/dbraw/zinc/88/63/96/430886396.db2.gz QOZJHAYNRWYHJE-HNNXBMFYSA-N 2 0 311.514 2.781 20 0 DFADRP CCC[C@H]1CCC[C@H]1[NH2+]C1CCN(C(=O)CCC[NH2+]C)CC1 ZINC000665289263 430886435 /nfs/dbraw/zinc/88/64/35/430886435.db2.gz JWELTXGIRIPWCU-DOTOQJQBSA-N 2 0 309.498 2.535 20 0 DFADRP CC[C@H]1CCCC[C@H]1[NH2+]C1CCN(C(=O)CCC[NH2+]C)CC1 ZINC000665287935 430886597 /nfs/dbraw/zinc/88/65/97/430886597.db2.gz YXXFDQPDLONCDW-DOTOQJQBSA-N 2 0 309.498 2.535 20 0 DFADRP COc1ccccc1-c1cc(C[NH2+][C@@H](C)CCCC[NH3+])on1 ZINC000665299188 430888217 /nfs/dbraw/zinc/88/82/17/430888217.db2.gz IERBSFVRZOIMAE-ZDUSSCGKSA-N 2 0 303.406 2.957 20 0 DFADRP CC[N@@H+]1CC[C@@H]([NH2+]C[C@@H]2C[C@H](c3ccccc3)CO2)[C@H](C)C1 ZINC000658205994 430840731 /nfs/dbraw/zinc/84/07/31/430840731.db2.gz GFJBAORYEQCZDP-XGXHKWSGSA-N 2 0 302.462 2.879 20 0 DFADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CCC[C@H](C)O2)[C@H](C)C1 ZINC000658217509 430843614 /nfs/dbraw/zinc/84/36/14/430843614.db2.gz FIGWAXIOERXLAK-OWSLCNJRSA-N 2 0 312.498 2.671 20 0 DFADRP Cc1ccc([C@@H]([NH2+]Cc2nc(C[NH3+])cc(=O)[nH]2)C2CCC2)cc1 ZINC000665293020 430890057 /nfs/dbraw/zinc/89/00/57/430890057.db2.gz PEVAWQYTLVCWPR-SFHVURJKSA-N 2 0 312.417 2.580 20 0 DFADRP c1cc(C[NH2+][C@@H]2CCC[NH2+]CC2)cc(COC[C@@H]2CCCO2)c1 ZINC000665295033 430890131 /nfs/dbraw/zinc/89/01/31/430890131.db2.gz ZZECUBPFCGJVNJ-MOPGFXCFSA-N 2 0 318.461 2.614 20 0 DFADRP CCC1(C[NH2+]Cc2ccc(OCC[NH+]3CCCC3)cc2)COC1 ZINC000648787674 430890581 /nfs/dbraw/zinc/89/05/81/430890581.db2.gz HFBHIPFYRBPVDA-UHFFFAOYSA-N 2 0 318.461 2.677 20 0 DFADRP C([NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1)C1CC[NH+](CC2CC2)CC1 ZINC000665299558 430890699 /nfs/dbraw/zinc/89/06/99/430890699.db2.gz PIPRVFJLVYWOOA-CEXWTWQISA-N 3 0 305.510 2.619 20 0 DFADRP C[C@H](C[NH+]1CCC(N2CCC[C@H]2C(N)=O)CC1)C1CCCCC1 ZINC000645100404 430902416 /nfs/dbraw/zinc/90/24/16/430902416.db2.gz CUQZGKXENDLSCV-QAPCUYQASA-N 2 0 321.509 2.617 20 0 DFADRP c1cc(N2CCC([NH2+][C@H](C3CC3)C3CCOCC3)CC2)cc[nH+]1 ZINC000651930194 430916656 /nfs/dbraw/zinc/91/66/56/430916656.db2.gz KZVWTESGKZBIOU-LJQANCHMSA-N 2 0 315.461 2.845 20 0 DFADRP CC(C)([NH3+])CC(=O)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000645157987 430918712 /nfs/dbraw/zinc/91/87/12/430918712.db2.gz ZMBZNKICWYTCIW-OAHLLOKOSA-N 2 0 323.868 2.721 20 0 DFADRP CC(C)(C)CC(C)(C)[NH+]1CCC([NH2+][C@@H](CO)CCF)CC1 ZINC000652018273 430938369 /nfs/dbraw/zinc/93/83/69/430938369.db2.gz OPFWBOANDWZMDM-OAHLLOKOSA-N 2 0 302.478 2.976 20 0 DFADRP CCC(C)(C)[NH+]1CCN(C(=O)c2ccc(C[NH+](C)C)cc2)CC1 ZINC000655274174 430947482 /nfs/dbraw/zinc/94/74/82/430947482.db2.gz YOBHANDQAWDBSI-UHFFFAOYSA-N 2 0 317.477 2.695 20 0 DFADRP O[C@@H]1CC[N@@H+](C2CCN(C/C=C/c3ccc(Cl)cc3)CC2)C1 ZINC000662152415 430979465 /nfs/dbraw/zinc/97/94/65/430979465.db2.gz UNWUHOKJYVNPKB-ZMXQLYDGSA-N 2 0 320.864 2.884 20 0 DFADRP C[C@H](CCc1ccccc1)[NH+]1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000662160070 430982473 /nfs/dbraw/zinc/98/24/73/430982473.db2.gz MFEHNNUDKHPOHM-APWZRJJASA-N 2 0 302.462 2.539 20 0 DFADRP O[C@@H]1CC[N@@H+](C2CC[NH+](Cc3cccc4ccccc43)CC2)C1 ZINC000662159332 430982742 /nfs/dbraw/zinc/98/27/42/430982742.db2.gz YCWCTIBCEFEJPH-LJQANCHMSA-N 2 0 310.441 2.871 20 0 DFADRP C[C@H]([NH3+])C1CC[NH+](Cc2cccc(F)c2OC(F)F)CC1 ZINC000662247576 431012297 /nfs/dbraw/zinc/01/22/97/431012297.db2.gz YCCGSABEGZILES-JTQLQIEISA-N 2 0 302.340 2.986 20 0 DFADRP CC(C)C[N@H+](C)CCC[NH2+][C@@H](C)c1ccccc1-n1ccnn1 ZINC000652222877 430993325 /nfs/dbraw/zinc/99/33/25/430993325.db2.gz ZRGAFQBIDMOCOA-INIZCTEOSA-N 2 0 315.465 2.896 20 0 DFADRP CC[N@H+](CCCN[C@@H](C)c1ccc(=O)[nH]n1)C1CCCCC1 ZINC000652238046 430998936 /nfs/dbraw/zinc/99/89/36/430998936.db2.gz QLVVYYVWDWIHLX-AWEZNQCLSA-N 2 0 306.454 2.878 20 0 DFADRP CCCN(C(=O)[C@@H]1CC[NH+](C2CCCCC2)C1)[C@H]1CC[N@H+](C)C1 ZINC000648998206 430963631 /nfs/dbraw/zinc/96/36/31/430963631.db2.gz GVXMHIILXPPHDB-AEFFLSMTSA-N 2 0 321.509 2.584 20 0 DFADRP COc1cccc(SCC[N@@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)c1 ZINC000662265203 431021940 /nfs/dbraw/zinc/02/19/40/431021940.db2.gz GIEXBMFOXASPQL-XKQJLSEDSA-N 2 0 306.475 2.847 20 0 DFADRP [NH3+][C@@H]1CCC[C@H]2C[N@H+](CCc3nsc4ccccc43)C[C@H]21 ZINC000662266201 431024390 /nfs/dbraw/zinc/02/43/90/431024390.db2.gz KMNREYPYPVGZMG-NWANDNLSSA-N 2 0 301.459 2.898 20 0 DFADRP Cc1cccc(OCC[N@@H+]2CCC[C@H]([C@@H]3C[C@@H]([NH3+])CCO3)C2)c1 ZINC000652345482 431025490 /nfs/dbraw/zinc/02/54/90/431025490.db2.gz CLIYEDXFFOQLRO-LNLFQRSKSA-N 2 0 318.461 2.592 20 0 DFADRP Cc1cccc(C)c1NC(=O)[C@@H](C)N1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000652351141 431026676 /nfs/dbraw/zinc/02/66/76/431026676.db2.gz IHPIPNDKKVDRKX-GJYPPUQNSA-N 2 0 315.461 2.691 20 0 DFADRP Cc1ccc(NC(=O)[C@H](C)N2C[C@@H]3CCC[C@]3(C[NH3+])C2)cc1F ZINC000652351399 431027262 /nfs/dbraw/zinc/02/72/62/431027262.db2.gz VXEVLACFIFEVKW-DEYYWGMASA-N 2 0 319.424 2.522 20 0 DFADRP Cc1ccc(CC[N@@H+]2CCC[C@H]([C@@H]3C[C@@H]([NH3+])CCO3)C2)cc1 ZINC000652348938 431027327 /nfs/dbraw/zinc/02/73/27/431027327.db2.gz WKZDRGBEZMUSOW-FHWLQOOXSA-N 2 0 302.462 2.756 20 0 DFADRP c1cc(C[N@@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)c2c(c1)C[NH2+]CC2 ZINC000662273008 431027614 /nfs/dbraw/zinc/02/76/14/431027614.db2.gz JIXQEHZJPAIESW-FUHWJXTLSA-N 3 0 313.489 2.544 20 0 DFADRP C[C@H](c1nc(-c2cccs2)no1)N1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000652351663 431028013 /nfs/dbraw/zinc/02/80/13/431028013.db2.gz OLUPZORJAWQWQG-WQGACYEGSA-N 2 0 318.446 2.920 20 0 DFADRP CO[C@@H](C[N@@H+]1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1)C1CCCC1 ZINC000662270992 431028565 /nfs/dbraw/zinc/02/85/65/431028565.db2.gz DBPHGFUWTMLOET-QYZOEREBSA-N 2 0 302.462 2.866 20 0 DFADRP CCC(C)(C)[NH+]1CCN(C(=O)[C@@H](C)[C@H]([NH3+])c2ccccc2)CC1 ZINC000655494841 431028897 /nfs/dbraw/zinc/02/88/97/431028897.db2.gz OQNPSIBNUDOSON-RDJZCZTQSA-N 2 0 317.477 2.655 20 0 DFADRP COc1ccc(COCC[N@@H+]2CCC[C@H](C)[C@H]2CC[NH3+])cc1 ZINC000652354830 431029676 /nfs/dbraw/zinc/02/96/76/431029676.db2.gz JMRIXBMAMBBRLN-MAUKXSAKSA-N 2 0 306.450 2.661 20 0 DFADRP CN1CC[C@H]([NH2+]Cc2cccc3c2CC[NH2+]C3)[C@H]1c1ccccc1 ZINC000662284491 431032026 /nfs/dbraw/zinc/03/20/26/431032026.db2.gz ZBKSWBSZSCKTIV-LEWJYISDSA-N 2 0 321.468 2.867 20 0 DFADRP CC[C@H](CC(F)F)C[NH+]1CCC([C@@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000662281902 431032734 /nfs/dbraw/zinc/03/27/34/431032734.db2.gz MJSHDRIPLFCAJH-INWMFGNUSA-N 2 0 304.425 2.886 20 0 DFADRP COCC[C@H]1CCCC[N@H+](Cc2cccc3c2CC[NH2+]C3)C1 ZINC000662281984 431033506 /nfs/dbraw/zinc/03/35/06/431033506.db2.gz NCOSQLDPDREZAB-MRXNPFEDSA-N 2 0 302.462 2.971 20 0 DFADRP O=C(C[NH+]1CCC([C@@H]2CCC[NH2+]C2)CC1)NC1CCCCCC1 ZINC000662290285 431034092 /nfs/dbraw/zinc/03/40/92/431034092.db2.gz ORDHVJBBUDDAFE-QGZVFWFLSA-N 2 0 321.509 2.537 20 0 DFADRP O=C(CC[NH+]1CCC([C@@H]2CCC[NH2+]C2)CC1)Nc1ccccc1 ZINC000662290495 431034412 /nfs/dbraw/zinc/03/44/12/431034412.db2.gz DTHVIORUHCQIQL-QGZVFWFLSA-N 2 0 315.461 2.727 20 0 DFADRP C(c1nc(C2CCCC2)no1)[N@@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662291825 431035070 /nfs/dbraw/zinc/03/50/70/431035070.db2.gz ACHRGYHKMWKWLT-INIZCTEOSA-N 2 0 318.465 2.939 20 0 DFADRP Fc1ccc(OCC[N@@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)cc1 ZINC000662292915 431035150 /nfs/dbraw/zinc/03/51/50/431035150.db2.gz BWKAGBBXICGZKY-INIZCTEOSA-N 2 0 306.425 2.916 20 0 DFADRP CC(C)N(C(=O)[C@H](C)[NH+]1CCC([C@H]2CCC[NH2+]C2)CC1)C(C)C ZINC000662291101 431035523 /nfs/dbraw/zinc/03/55/23/431035523.db2.gz PFCMPMQCQUTCCK-WMZOPIPTSA-N 2 0 323.525 2.732 20 0 DFADRP O=C(CC[N@@H+]1CCC[C@H](C2CC[NH2+]CC2)C1)Nc1ccccc1 ZINC000662294105 431035809 /nfs/dbraw/zinc/03/58/09/431035809.db2.gz OZHLBJVWBKDUQE-KRWDZBQOSA-N 2 0 315.461 2.727 20 0 DFADRP Fc1ccccc1C[C@H]1CCCC[N@@H+]1C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662286962 431036057 /nfs/dbraw/zinc/03/60/57/431036057.db2.gz VFQGQVMPMJZWAH-SJORKVTESA-N 2 0 318.436 2.744 20 0 DFADRP C[C@@H]1C[N@H+](C[C@@H]2CCC3(C[NH2+]C3)O2)CCc2ccc(Cl)cc21 ZINC000662286598 431036193 /nfs/dbraw/zinc/03/61/93/431036193.db2.gz RLKIWLGKIOAYKN-CJNGLKHVSA-N 2 0 320.864 2.823 20 0 DFADRP Fc1ccc(OCC[NH+]2CCC([C@@H]3CCC[NH2+]C3)CC2)cc1 ZINC000662290577 431036448 /nfs/dbraw/zinc/03/64/48/431036448.db2.gz WUGSWOORVDYMIN-MRXNPFEDSA-N 2 0 306.425 2.916 20 0 DFADRP COc1c(C)cnc(C[NH+]2CCC([C@H]3CCC[NH2+]C3)CC2)c1C ZINC000662293382 431036526 /nfs/dbraw/zinc/03/65/26/431036526.db2.gz RHDYVKBJGCFBKE-KRWDZBQOSA-N 2 0 317.477 2.919 20 0 DFADRP CC(C)N(C(=O)[C@@H](C)[N@@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1)C(C)C ZINC000662296849 431037647 /nfs/dbraw/zinc/03/76/47/431037647.db2.gz NXPCUYPDSKYMPP-SJLPKXTDSA-N 2 0 323.525 2.732 20 0 DFADRP Cn1cc(C[C@H]2CCC[C@@H]2[NH2+]Cc2cccc3c2CC[NH2+]C3)cn1 ZINC000662310263 431041458 /nfs/dbraw/zinc/04/14/58/431041458.db2.gz IYZHJSNXGXNIDD-UZLBHIALSA-N 2 0 324.472 2.567 20 0 DFADRP CN(CCc1ccccc1)[C@H]1CC[N@H+](CC[C@H]2CCC[NH2+]C2)C1 ZINC000662307563 431042612 /nfs/dbraw/zinc/04/26/12/431042612.db2.gz XKUXCELMKDIIIV-UXHICEINSA-N 2 0 315.505 2.625 20 0 DFADRP C[C@@H]1CCC[N@H+](Cc2nc(-c3ccoc3)no2)[C@@H]1CCC[NH3+] ZINC000662314881 431043655 /nfs/dbraw/zinc/04/36/55/431043655.db2.gz RSPCBOXUVKOLLW-TZMCWYRMSA-N 2 0 304.394 2.669 20 0 DFADRP C[C@@H]1CCC[C@H](NC(=O)C[N@@H+]2CCC[C@@H](C)[C@H]2CCC[NH3+])[C@@H]1C ZINC000662313704 431044654 /nfs/dbraw/zinc/04/46/54/431044654.db2.gz XLRGHKPQPWXCKV-HSFUPAIVSA-N 2 0 323.525 2.767 20 0 DFADRP Cc1ccc(CCC[N@@H+]2CCO[C@H](CCC[NH+](C)C)C2)cc1 ZINC000662324737 431046997 /nfs/dbraw/zinc/04/69/97/431046997.db2.gz BXLXCCRFHUVZIF-LJQANCHMSA-N 2 0 304.478 2.970 20 0 DFADRP C[NH+](C)CCC[C@@H]1C[N@H+](CCCCOc2ccccc2)CCO1 ZINC000662318963 431047484 /nfs/dbraw/zinc/04/74/84/431047484.db2.gz CHRDWDYLQCFSHN-LJQANCHMSA-N 2 0 320.477 2.888 20 0 DFADRP CC(C)[N@H+](C)CC1CCN(C(=O)c2ccc([C@H](C)[NH3+])cc2)CC1 ZINC000645688758 431050744 /nfs/dbraw/zinc/05/07/44/431050744.db2.gz VTLDGDOHNCRYBT-HNNXBMFYSA-N 2 0 317.477 2.899 20 0 DFADRP CC[C@H]([NH2+]C)C(=O)NC[C@H](c1cccs1)[NH+]1CCC(C)CC1 ZINC000662346807 431054731 /nfs/dbraw/zinc/05/47/31/431054731.db2.gz VALPOSPBEKMJLC-LSDHHAIUSA-N 2 0 323.506 2.635 20 0 DFADRP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)C2CCC([NH3+])CC2)C1 ZINC000649311542 431062873 /nfs/dbraw/zinc/06/28/73/431062873.db2.gz YIXZUVHFLQXOIZ-VEZWFGLTSA-N 2 0 321.509 2.617 20 0 DFADRP C[C@H](NC(=O)C(C)(C)[C@H]([NH3+])c1ccccc1)C1CC[NH+](C)CC1 ZINC000649314634 431065486 /nfs/dbraw/zinc/06/54/86/431065486.db2.gz HPHVXTRRLMWYIP-WMLDXEAASA-N 2 0 317.477 2.559 20 0 DFADRP CC[NH+](CC)[C@H](C)CNC(=O)c1ccc2c(c1)[C@@H](C[NH3+])CCC2 ZINC000662384537 431067301 /nfs/dbraw/zinc/06/73/01/431067301.db2.gz YPHQNQIMMRBYDW-RHSMWYFYSA-N 2 0 317.477 2.525 20 0 DFADRP C[N@@H+](Cc1ccc(Cl)c(Cl)c1)C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662249217 431013688 /nfs/dbraw/zinc/01/36/88/431013688.db2.gz JRQMBZPEBHYILF-LBPRGKRZSA-N 2 0 315.244 2.946 20 0 DFADRP C[C@@]1(c2ccccc2)CCC[N@H+](C[C@@H]2CCC3(C[NH2+]C3)O2)C1 ZINC000662254792 431014909 /nfs/dbraw/zinc/01/49/09/431014909.db2.gz MBKOSIXPNLELHV-ZWKOTPCHSA-N 2 0 300.446 2.561 20 0 DFADRP C[N@@H+](Cc1cc(Cl)cc(Cl)c1)C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662252172 431015091 /nfs/dbraw/zinc/01/50/91/431015091.db2.gz LOGJARHYMCFYOU-AWEZNQCLSA-N 2 0 315.244 2.946 20 0 DFADRP C[C@@H](Cc1ccc(Cl)cc1)[N@H+](C)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662254053 431015503 /nfs/dbraw/zinc/01/55/03/431015503.db2.gz DPOPYCDNDXFQBY-XJKSGUPXSA-N 2 0 308.853 2.724 20 0 DFADRP Oc1ccc2c(c1)CC[N@@H+](Cc1cccc3c1CC[NH2+]C3)CC2 ZINC000662255655 431016333 /nfs/dbraw/zinc/01/63/33/431016333.db2.gz ZUIQFKMHUGWCKK-UHFFFAOYSA-N 2 0 308.425 2.639 20 0 DFADRP CC[N@H+](C[C@@H]1CCC2(C[NH2+]C2)O1)[C@H](C)c1cccc(OC)c1 ZINC000662252133 431017351 /nfs/dbraw/zinc/01/73/51/431017351.db2.gz KJEXOBLPSDWTMM-PBHICJAKSA-N 2 0 304.434 2.599 20 0 DFADRP CCO[C@H]1C[C@H]([N@H+](C)Cc2cccc3c2CC[NH2+]C3)C1(C)C ZINC000662258340 431017668 /nfs/dbraw/zinc/01/76/68/431017668.db2.gz ZPKUFACNUJDSOD-ROUUACIJSA-N 2 0 302.462 2.968 20 0 DFADRP C[C@@H]1C[N@H+](C[C@H]2CCC3(C[NH2+]C3)O2)CC[C@H]1c1ccccc1 ZINC000662257539 431018511 /nfs/dbraw/zinc/01/85/11/431018511.db2.gz POTRFTZIJIJPKU-KBAYOESNSA-N 2 0 300.446 2.633 20 0 DFADRP CCO[C@@H]1C[C@@H]([N@H+](C)Cc2cccc3c2CC[NH2+]C3)C1(C)C ZINC000662258338 431018902 /nfs/dbraw/zinc/01/89/02/431018902.db2.gz ZPKUFACNUJDSOD-QZTJIDSGSA-N 2 0 302.462 2.968 20 0 DFADRP Fc1ccc([C@@H]2CCCC[N@@H+]2C[C@H]2CCC3(C[NH2+]C3)O2)cc1 ZINC000662257084 431019178 /nfs/dbraw/zinc/01/91/78/431019178.db2.gz MRBNDYYPSLQNNR-SJORKVTESA-N 2 0 304.409 2.874 20 0 DFADRP C[C@@H](NC[C@H]1CCC[N@H+](Cc2ccccc2)C1)c1ccn(C)n1 ZINC000666086460 431110650 /nfs/dbraw/zinc/11/06/50/431110650.db2.gz SJXIXDWYOLCPAW-SJLPKXTDSA-N 2 0 312.461 2.983 20 0 DFADRP C[C@@H]1CC[C@H]([NH2+]Cc2ccccc2C[N@@H+]2CC[C@H](O)C2)CS1 ZINC000655750983 431112214 /nfs/dbraw/zinc/11/22/14/431112214.db2.gz ILEPVSCJTNOKLH-JLSDUUJJSA-N 2 0 320.502 2.627 20 0 DFADRP Cc1ccccc1C[NH+]1CCCN(C[C@@H]2CCC[N@H+]2C)CC1 ZINC000649479780 431113804 /nfs/dbraw/zinc/11/38/04/431113804.db2.gz KPZRMTNECRZMKL-IBGZPJMESA-N 2 0 301.478 2.597 20 0 DFADRP Cc1cc2c(c(C)c1)[C@H]([NH2+][C@@H](C)CCN1CC[NH+](C)CC1)CC2 ZINC000655756951 431119222 /nfs/dbraw/zinc/11/92/22/431119222.db2.gz LQHCIHJAMANOOE-PKOBYXMFSA-N 2 0 315.505 2.906 20 0 DFADRP C[C@H]([NH3+])c1ccc(C(=O)N2CCC[C@@H](C3CC[NH2+]CC3)C2)cc1 ZINC000662593586 431124237 /nfs/dbraw/zinc/12/42/37/431124237.db2.gz JNVVVKRUWZXOHW-KBXCAEBGSA-N 2 0 315.461 2.558 20 0 DFADRP C[C@@H]([NH3+])c1ccc(C(=O)N2CCC([C@H]3CCC[NH2+]C3)CC2)cc1 ZINC000662588157 431124828 /nfs/dbraw/zinc/12/48/28/431124828.db2.gz RBMUTDNSWHAKGI-KDOFPFPSSA-N 2 0 315.461 2.558 20 0 DFADRP CC[NH2+]Cc1cccc(NC(=O)C[C@H]2[NH2+]Cc3ccccc32)c1 ZINC000662399234 431071048 /nfs/dbraw/zinc/07/10/48/431071048.db2.gz QFYYOFGBKPZKRI-GOSISDBHSA-N 2 0 309.413 2.969 20 0 DFADRP CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)[C@H]1CCCCCC[C@H]1[NH3+] ZINC000649341724 431072579 /nfs/dbraw/zinc/07/25/79/431072579.db2.gz SRDIMVANPHASCA-YESZJQIVSA-N 2 0 309.498 2.617 20 0 DFADRP CC(C)c1ccc([C@H]([NH3+])CNC(=O)c2cccc3c2C[NH2+]C3)cc1 ZINC000662410131 431074585 /nfs/dbraw/zinc/07/45/85/431074585.db2.gz HENGJGVGMBKIMD-LJQANCHMSA-N 2 0 323.440 2.843 20 0 DFADRP CC(C)[NH2+]CC(=O)Nc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000662417778 431076697 /nfs/dbraw/zinc/07/66/97/431076697.db2.gz VVBPOZRTAAVPRW-UHFFFAOYSA-N 2 0 303.450 2.999 20 0 DFADRP CC[NH+](CC)Cc1ccc(C(=O)N2C[C@H](C[NH3+])[C@H](C)C[C@H]2C)o1 ZINC000649369306 431078807 /nfs/dbraw/zinc/07/88/07/431078807.db2.gz JNFJWEPLRQPQRI-KFWWJZLASA-N 2 0 321.465 2.567 20 0 DFADRP CC(C)C[N@H+](C)CCCNC(=O)C1(C[NH+](C)C)CCCCC1 ZINC000652523412 431078915 /nfs/dbraw/zinc/07/89/15/431078915.db2.gz PDMAYESGNGXSOF-UHFFFAOYSA-N 2 0 311.514 2.593 20 0 DFADRP CC(C)C[C@H](C[NH3+])CC(=O)Nc1ccc(CC[NH+](C)C)cc1 ZINC000662443105 431081717 /nfs/dbraw/zinc/08/17/17/431081717.db2.gz ZWAXIFLBMACGOI-INIZCTEOSA-N 2 0 305.466 2.740 20 0 DFADRP CC(C)[NH2+]CC(=O)NCc1cccc(C[NH+]2CCC(C)CC2)c1 ZINC000662436382 431082224 /nfs/dbraw/zinc/08/22/24/431082224.db2.gz SZNZXLBXDDFPED-UHFFFAOYSA-N 2 0 317.477 2.533 20 0 DFADRP C[N@@H+]1CCC[C@H](N2CC[NH+](C[C@@H]3CCCCC3(F)F)CC2)C1 ZINC000649382211 431083234 /nfs/dbraw/zinc/08/32/34/431083234.db2.gz WMWZOVHWOVQTIA-HOTGVXAUSA-N 2 0 315.452 2.524 20 0 DFADRP C[N@@H+]1CCC[C@@H](N2CC[NH+](C[C@H]3CCCCC3(F)F)CC2)C1 ZINC000649382212 431083601 /nfs/dbraw/zinc/08/36/01/431083601.db2.gz WMWZOVHWOVQTIA-HZPDHXFCSA-N 2 0 315.452 2.524 20 0 DFADRP COc1ccc(F)cc1[C@@H](C)[NH2+]C1CCN([C@@H]2CCOC2)CC1 ZINC000655694642 431084486 /nfs/dbraw/zinc/08/44/86/431084486.db2.gz IUBDBPXBSIBFTE-CZUORRHYSA-N 2 0 322.424 2.738 20 0 DFADRP CC[C@H]([NH2+]C)C(=O)NC[C@H](CC(C)C)[NH2+][C@@H](C)c1ccccc1 ZINC000662453432 431085613 /nfs/dbraw/zinc/08/56/13/431085613.db2.gz AEMCTLYRXXEPEQ-SZMVWBNQSA-N 2 0 319.493 2.866 20 0 DFADRP C[C@@H](CNC(=O)c1cccc2c1C[NH2+]C2)[N@H+](C)Cc1ccccc1 ZINC000662453636 431086145 /nfs/dbraw/zinc/08/61/45/431086145.db2.gz ARIFYOIAVDITRZ-HNNXBMFYSA-N 2 0 323.440 2.540 20 0 DFADRP CC[N@@H+]1CC[C@H](CNCc2cn(-c3ccccc3F)nc2C)C1 ZINC000655712965 431093677 /nfs/dbraw/zinc/09/36/77/431093677.db2.gz WPJIPAYFVVVUGR-OAHLLOKOSA-N 2 0 316.424 2.751 20 0 DFADRP Cc1cc(C)n(-c2ccc(CN3CC[C@H]4CC[NH2+][C@H]4C3)cc2)n1 ZINC000649419029 431095743 /nfs/dbraw/zinc/09/57/43/431095743.db2.gz CAHSBVKPNFZFKC-MJGOQNOKSA-N 2 0 310.445 2.673 20 0 DFADRP CN(Cc1ccccc1)[C@@H]1CC[N@H+](CC[C@H]2CCC[NH2+]C2)C1 ZINC000649413970 431095929 /nfs/dbraw/zinc/09/59/29/431095929.db2.gz ZVJGCIAQIKQHAT-IEBWSBKVSA-N 2 0 301.478 2.582 20 0 DFADRP Cc1cccc2nc(C[N@@H+]3CCC[C@H]([C@@H]4CCC[NH2+]C4)C3)cn21 ZINC000649418048 431096494 /nfs/dbraw/zinc/09/64/94/431096494.db2.gz XOULZRHSYLVDMQ-SJORKVTESA-N 2 0 312.461 2.854 20 0 DFADRP CC[C@H]([NH2+]C)C(=O)N(CC)[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000662502195 431098860 /nfs/dbraw/zinc/09/88/60/431098860.db2.gz JQHISQILVNJGRO-JQHSSLGASA-N 2 0 317.477 2.668 20 0 DFADRP CC[C@H]([NH2+]C)C(=O)Nc1cccc(CC[NH+]2CCC(C)CC2)c1 ZINC000662509132 431101136 /nfs/dbraw/zinc/10/11/36/431101136.db2.gz BMZOSAYFYAISSK-SFHVURJKSA-N 2 0 317.477 2.898 20 0 DFADRP C[C@@H]1C[NH+](CCCC[NH2+][C@@H]2CC[C@H](C)SC2)C[C@@H](C)O1 ZINC000655729140 431102870 /nfs/dbraw/zinc/10/28/70/431102870.db2.gz GQQVRQYPRCYLFF-LVQVYYBASA-N 2 0 300.512 2.750 20 0 DFADRP Cc1nn(-c2ccc(C)cc2)cc1C[NH2+]CC1CC[NH+](C)CC1 ZINC000655731661 431105549 /nfs/dbraw/zinc/10/55/49/431105549.db2.gz YIZLEMXOGBSTBU-UHFFFAOYSA-N 2 0 312.461 2.921 20 0 DFADRP CC(C)C[C@H](C[NH3+])CC(=O)N1CCC[C@H]([NH+]2[C@@H](C)CC[C@@H]2C)C1 ZINC000662526544 431107403 /nfs/dbraw/zinc/10/74/03/431107403.db2.gz GYKSHIFDTOROKI-XSLAGTTESA-N 2 0 323.525 2.861 20 0 DFADRP [NH3+][C@H](CC1CCCCC1)C(=O)N1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662596932 431128707 /nfs/dbraw/zinc/12/87/07/431128707.db2.gz UEOKULBLAHQPEB-QZTJIDSGSA-N 2 0 321.509 2.522 20 0 DFADRP CC[N@H+](C)[C@@H](C(=O)N[C@H](C)C[NH+](C)C(C)C)c1ccccc1 ZINC000292039611 279043069 /nfs/dbraw/zinc/04/30/69/279043069.db2.gz YGQBJNDKXCDXJA-NVXWUHKLSA-N 2 0 305.466 2.524 20 0 DFADRP CC[N@H+](CC(=O)N1CCC[C@@H](C[NH+]2CCCCCC2)C1)C1CC1 ZINC000152152533 279050100 /nfs/dbraw/zinc/05/01/00/279050100.db2.gz HZUGLKWCDJDHPJ-KRWDZBQOSA-N 2 0 321.509 2.585 20 0 DFADRP C[C@H]1CC[C@H]([NH2+]Cc2ccncc2OCCC[NH+](C)C)CS1 ZINC000655767908 431128065 /nfs/dbraw/zinc/12/80/65/431128065.db2.gz MXIGLMSWJSECQM-HOCLYGCPSA-N 2 0 323.506 2.786 20 0 DFADRP CC(C)C[C@H](CNC(=O)C[C@@H](C)[NH3+])[NH2+][C@H](C)c1ccccc1 ZINC000645964430 431132681 /nfs/dbraw/zinc/13/26/81/431132681.db2.gz QPPKMPKWGBKFSV-BFYDXBDKSA-N 2 0 305.466 2.605 20 0 DFADRP CC(C)C[C@H](C[NH+](C)C)NC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC000362624088 279131292 /nfs/dbraw/zinc/13/12/92/279131292.db2.gz QXUIGHBQFVFYSC-SJLPKXTDSA-N 2 0 323.525 2.876 20 0 DFADRP C[N@@H+]1CCC[C@H]1CN1CC[NH+](Cc2ccccc2)C(C)(C)C1 ZINC000649509801 431133244 /nfs/dbraw/zinc/13/32/44/431133244.db2.gz HWMFIVMNWRYBOU-SFHVURJKSA-N 2 0 301.478 2.677 20 0 DFADRP CC[NH+](CC)Cc1ccc(C[NH2+][C@@H]2CC[N@H+](C)C[C@@H]2C)cc1 ZINC000163564372 279137453 /nfs/dbraw/zinc/13/74/53/279137453.db2.gz UFQPCZVQBIQAPQ-QFBILLFUSA-N 3 0 303.494 2.958 20 0 DFADRP CC[NH+](CC)[C@H](C(=O)NC[C@H]1CCC[N@@H+]1CC)c1ccccc1 ZINC000246351576 279154131 /nfs/dbraw/zinc/15/41/31/279154131.db2.gz DCCRYVVQHDAINL-MSOLQXFVSA-N 2 0 317.477 2.670 20 0 DFADRP CC[NH+](CC)[C@H](C(=O)N[C@H](C)[C@@H]1CCC[NH2+]C1)c1ccccc1 ZINC000269202921 279154557 /nfs/dbraw/zinc/15/45/57/279154557.db2.gz NFAIDYBQDQTLTQ-NXHRZFHOSA-N 2 0 317.477 2.574 20 0 DFADRP C[C@H]([NH2+]CC[C@H]1CCC[N@H+](C)C1)c1ccc2[nH]c(=O)oc2c1 ZINC000666172102 431135848 /nfs/dbraw/zinc/13/58/48/431135848.db2.gz ANYCFRLNYLOVBI-QWHCGFSZSA-N 2 0 303.406 2.916 20 0 DFADRP C[C@H](CCc1ccc(F)cc1)[NH2+][C@H](C)CCN1CC[NH+](C)CC1 ZINC000186577316 279272815 /nfs/dbraw/zinc/27/28/15/279272815.db2.gz YHGUFKWVJMPEGR-IAGOWNOFSA-N 2 0 321.484 2.762 20 0 DFADRP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@@H]1c2cccc(F)c2CC[C@@H]1C ZINC000248171567 279313015 /nfs/dbraw/zinc/31/30/15/279313015.db2.gz UWTVWBYPGFIKMO-KHYOSLBOSA-N 2 0 319.468 2.675 20 0 DFADRP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@@H]1CC[C@@H](C)c2ccccc21 ZINC000247972660 279313024 /nfs/dbraw/zinc/31/30/24/279313024.db2.gz HMHQSZVHFHFYHA-GPMSIDNRSA-N 2 0 301.478 2.851 20 0 DFADRP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CC[NH+](C[C@@H]2CC[C@@H]3C[C@@H]3C2)CC1 ZINC000659867205 431162643 /nfs/dbraw/zinc/16/26/43/431162643.db2.gz VJZMUILVMRFFNR-IVDHNXQLSA-N 2 0 319.537 2.913 20 0 DFADRP CCn1c(C)cc2c1CCC[C@H]2[NH2+]Cc1cnc(N(C)C)n1C ZINC000666245543 431162904 /nfs/dbraw/zinc/16/29/04/431162904.db2.gz ZGNLSZFWVHLYOW-MRXNPFEDSA-N 2 0 315.465 2.783 20 0 DFADRP [NH3+]C1(CC(=O)Nc2ccc(C[NH+]3CCCCCC3)cc2)CC1 ZINC000662698972 431166124 /nfs/dbraw/zinc/16/61/24/431166124.db2.gz URWXXPFTJVRGGH-UHFFFAOYSA-N 2 0 301.434 2.883 20 0 DFADRP COc1cc(C[NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)ccc1OC(F)F ZINC000655825611 431170966 /nfs/dbraw/zinc/17/09/66/431170966.db2.gz JZOXJNIHMXKLHX-BETUJISGSA-N 2 0 314.376 2.726 20 0 DFADRP C[C@@H]([NH2+]C1(CNC(=O)CC2([NH3+])CC2)CCCC1)c1ccccc1 ZINC000662729038 431175716 /nfs/dbraw/zinc/17/57/16/431175716.db2.gz FZWUDTFVKGOYPJ-OAHLLOKOSA-N 2 0 315.461 2.648 20 0 DFADRP CCc1ncc(C[NH2+][C@H](Cc2nccn2C)c2ccccc2)cn1 ZINC000666281784 431177354 /nfs/dbraw/zinc/17/73/54/431177354.db2.gz LTUXJHBWVNHTPM-QGZVFWFLSA-N 2 0 321.428 2.846 20 0 DFADRP C([NH2+][C@@H]1CCC[C@H]2C[C@H]21)C1(C[NH2+][C@@H]2CCC[C@@H]3C[C@@H]32)COC1 ZINC000646089408 431177837 /nfs/dbraw/zinc/17/78/37/431177837.db2.gz SFTOWHWANKLCTP-GQLSEVEHSA-N 2 0 304.478 2.559 20 0 DFADRP CC(C)CC[NH+]1CCC(CNC(=O)C2([NH3+])CC3(CCC3)C2)CC1 ZINC000662751099 431184105 /nfs/dbraw/zinc/18/41/05/431184105.db2.gz JFFURPATDDXCIG-UHFFFAOYSA-N 2 0 321.509 2.522 20 0 DFADRP CC[N@@H+]1CC[C@H](N(C)C(=O)C[C@@H]2[NH2+]Cc3ccccc32)C[C@H]1C ZINC000662743831 431184643 /nfs/dbraw/zinc/18/46/43/431184643.db2.gz VMBYEZPQHHFKEV-HFTRVMKXSA-N 2 0 315.461 2.552 20 0 DFADRP CO[C@@H](C[NH+]1CCC(OCC[NH+](C)C)CC1)C1CCCCC1 ZINC000659919464 431187363 /nfs/dbraw/zinc/18/73/63/431187363.db2.gz HSSPWBLJMAXSQQ-SFHVURJKSA-N 2 0 312.498 2.624 20 0 DFADRP C[C@@H]1C[N@H+](Cc2ccccc2)CCCN1C[C@H]1CCC[NH+]1C ZINC000649539145 431150509 /nfs/dbraw/zinc/15/05/09/431150509.db2.gz LCOQLXHGVWIZBF-IEBWSBKVSA-N 2 0 301.478 2.677 20 0 DFADRP C[C@@H]1[C@@H]([NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)CCCN1Cc1ccccc1 ZINC000655804415 431154108 /nfs/dbraw/zinc/15/41/08/431154108.db2.gz YKJVNJGNTVHVNK-LMCOJAPRSA-N 2 0 315.505 2.969 20 0 DFADRP C[C@H]1CCC[C@@H]([NH+]2CCC([NH2+]C[C@H]3C[C@@H]([NH+](C)C)C3)CC2)C1 ZINC000655806298 431157741 /nfs/dbraw/zinc/15/77/41/431157741.db2.gz UPERZCQLRZHOPF-RNIPGJKVSA-N 3 0 307.526 2.959 20 0 DFADRP CCc1ccccc1NC(=O)C[C@H](C)[NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000655805122 431158511 /nfs/dbraw/zinc/15/85/11/431158511.db2.gz CQOSBDSHJLREGK-YQQAZPJKSA-N 2 0 317.477 2.896 20 0 DFADRP C[NH+](C)[C@H]1C[C@@H](C[NH2+][C@@H]2CCCN(Cc3ccccc3)C2)C1 ZINC000655805272 431158827 /nfs/dbraw/zinc/15/88/27/431158827.db2.gz FEPKUYIFVCGOBD-QRVBRYPASA-N 2 0 301.478 2.581 20 0 DFADRP C[N@@H+]1CCC[C@H](N2CC[NH+](C[C@@H]3CCCCC3(C)C)CC2)C1 ZINC000660074805 431257223 /nfs/dbraw/zinc/25/72/23/431257223.db2.gz QMAFGRSGJCZGEQ-ROUUACIJSA-N 2 0 307.526 2.915 20 0 DFADRP CC(C)[NH+]1CCC(NC(=O)C[N@@H+]2CCCC[C@@H]2C2CCC2)CC1 ZINC000646138796 431204369 /nfs/dbraw/zinc/20/43/69/431204369.db2.gz WHOSZSKPFLFACT-GOSISDBHSA-N 2 0 321.509 2.630 20 0 DFADRP CC(C)(C)[N@@H+]1CC[C@H](CNC(=O)[C@H]([NH3+])c2cccc(Cl)c2)C1 ZINC000662845760 431213118 /nfs/dbraw/zinc/21/31/18/431213118.db2.gz KOYPONXPBDCFAU-IUODEOHRSA-N 2 0 323.868 2.576 20 0 DFADRP [NH3+][C@H](CCC(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@H]12)c1ccccc1 ZINC000662839010 431214524 /nfs/dbraw/zinc/21/45/24/431214524.db2.gz OJLLCCNOXGWLJZ-KZNAEPCWSA-N 2 0 315.461 2.600 20 0 DFADRP CN(CC[NH+]1CCCCC1)C(=O)CC[N@H+](C)C1CCCCC1 ZINC000652990916 431218492 /nfs/dbraw/zinc/21/84/92/431218492.db2.gz IQDDXOGLJZBSMX-UHFFFAOYSA-N 2 0 309.498 2.585 20 0 DFADRP c1cnc2nc(C3CC[NH+](C[C@H]4CCC[NH2+]C4)CC3)ccc2c1 ZINC000655947395 431227329 /nfs/dbraw/zinc/22/73/29/431227329.db2.gz SEEXPZCWWOJGQJ-HNNXBMFYSA-N 2 0 310.445 2.809 20 0 DFADRP CO[C@@H](C[NH+]1CCN(c2cc[nH+]cc2)CC1)C1CCCCC1 ZINC000660002895 431229294 /nfs/dbraw/zinc/22/92/94/431229294.db2.gz BUVNBQRUQZYZQN-SFHVURJKSA-N 2 0 303.450 2.799 20 0 DFADRP C[C@@H](C(=O)N1CCC[C@@H](C)[C@H]1CCC[NH3+])[C@@H]([NH3+])c1ccccc1 ZINC000662890903 431230679 /nfs/dbraw/zinc/23/06/79/431230679.db2.gz QCRTYBQHZPAHNQ-JOCBIADPSA-N 2 0 317.477 2.689 20 0 DFADRP COC(C)(C)C[NH+](C)CC1(C[N@@H+](C)CC(C)(C)OC)CCC1 ZINC000660001902 431231377 /nfs/dbraw/zinc/23/13/77/431231377.db2.gz YQCBFYBOQXOOAE-UHFFFAOYSA-N 2 0 314.514 2.870 20 0 DFADRP C[NH+](C)CC[C@@H](N)C(=O)Nc1ccc(Oc2ccccc2)cc1 ZINC000653056611 431246857 /nfs/dbraw/zinc/24/68/57/431246857.db2.gz PUZNRDBCUCXQEE-QGZVFWFLSA-N 2 0 313.401 2.696 20 0 DFADRP O=C(NCC1([NH+]2CCCCC2)CCCCC1)[C@H]1CCC[NH2+]CC1 ZINC000653059184 431250822 /nfs/dbraw/zinc/25/08/22/431250822.db2.gz YDSKHLAJNYJKCI-KRWDZBQOSA-N 2 0 321.509 2.681 20 0 DFADRP [NH3+][C@H](CC1CCCCC1)C(=O)NC[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000663002307 431253832 /nfs/dbraw/zinc/25/38/32/431253832.db2.gz CYFQHXMGGAGLEA-ZWKOTPCHSA-N 2 0 321.509 2.522 20 0 DFADRP [NH3+]CC1(CC(=O)NC[C@H]2CCC[N@H+](CC3CC3)C2)CCCCC1 ZINC000663005667 431255019 /nfs/dbraw/zinc/25/50/19/431255019.db2.gz XIAHGUWPVOOOMA-QGZVFWFLSA-N 2 0 321.509 2.524 20 0 DFADRP CC(C)[C@H]1C[N@H+](Cc2ccc(OCC[NH+](C)C)cc2)CCCO1 ZINC000646299621 431256569 /nfs/dbraw/zinc/25/65/69/431256569.db2.gz BUOWESYVDTUHGS-LJQANCHMSA-N 2 0 320.477 2.874 20 0 DFADRP O[C@H]1CCC[N@H+](Cc2ccc(OCC[NH+]3CCCC3)cc2)CC1 ZINC000646297919 431256763 /nfs/dbraw/zinc/25/67/63/431256763.db2.gz KENYQDCAEAGCHN-SFHVURJKSA-N 2 0 318.461 2.508 20 0 DFADRP CC[C@H](CC(F)F)C[N@H+](C)CCN(C)C1CC[NH+](C)CC1 ZINC000660139214 431286152 /nfs/dbraw/zinc/28/61/52/431286152.db2.gz OIKOZYXKNOIQBF-CQSZACIVSA-N 2 0 305.457 2.626 20 0 DFADRP CCN1C[C@H](C[N@H+](C)C[C@H]2CC[NH2+][C@H](C)C2)Oc2ccccc21 ZINC000666616082 431298694 /nfs/dbraw/zinc/29/86/94/431298694.db2.gz JZPYAKJXYPENNJ-IKGGRYGDSA-N 2 0 317.477 2.594 20 0 DFADRP [NH3+][C@H]1CCC[C@H]([NH2+]Cc2cccc(NC(=O)C3CCC3)c2)C1 ZINC000656193862 431303343 /nfs/dbraw/zinc/30/33/43/431303343.db2.gz WECOQOJZUPLWLR-HOTGVXAUSA-N 2 0 301.434 2.785 20 0 DFADRP CC[C@@H]([NH2+]Cc1cc(C2CC[NH2+]CC2)no1)[C@H]1CCCCO1 ZINC000656201262 431304378 /nfs/dbraw/zinc/30/43/78/431304378.db2.gz MQXPRQRGMKXYKR-NVXWUHKLSA-N 2 0 307.438 2.579 20 0 DFADRP C[C@H](Cc1ccccn1)[NH2+][C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000656201475 431304462 /nfs/dbraw/zinc/30/44/62/431304462.db2.gz PTJDGYCFDCVHLN-XFQXTVEOSA-N 2 0 323.440 2.858 20 0 DFADRP CC[C@H]([NH2+]Cc1cc(C2CC[NH2+]CC2)no1)[C@@H]1CCCCO1 ZINC000656201263 431304525 /nfs/dbraw/zinc/30/45/25/431304525.db2.gz MQXPRQRGMKXYKR-RDJZCZTQSA-N 2 0 307.438 2.579 20 0 DFADRP CC[N@H+](CCCNC(=O)[C@H]1CC[NH2+][C@@H](C)C1)C1CCCCC1 ZINC000653200690 431305607 /nfs/dbraw/zinc/30/56/07/431305607.db2.gz MILSNNNXMZXYAO-HOTGVXAUSA-N 2 0 309.498 2.535 20 0 DFADRP CC[N@H+](CCCNC(=O)[C@@H]1C[C@H](C)CC[NH2+]1)C1CCCCC1 ZINC000653200973 431306574 /nfs/dbraw/zinc/30/65/74/431306574.db2.gz VVSRCQKZZUEXHA-WBVHZDCISA-N 2 0 309.498 2.535 20 0 DFADRP C[C@H]1C[C@H](C[NH+]2CCC(CC(=O)NC3CCCC3)CC2)CC[NH2+]1 ZINC000666633522 431306781 /nfs/dbraw/zinc/30/67/81/431306781.db2.gz IEFQNTDGHLZYEE-DOTOQJQBSA-N 2 0 321.509 2.535 20 0 DFADRP C[C@@H]1C[C@@H](C[N@@H+]2CCN(Cc3ccccc3)CC[C@@H]2C)CC[NH2+]1 ZINC000666636651 431310051 /nfs/dbraw/zinc/31/00/51/431310051.db2.gz CQTWWNVNJBTHPZ-HBFSDRIKSA-N 2 0 315.505 2.971 20 0 DFADRP C[C@H]1CCCC[N@@H+]1CCCCNC(=O)c1ccccc1CC[NH3+] ZINC000653110916 431270203 /nfs/dbraw/zinc/27/02/03/431270203.db2.gz YQBWXBMZUGNSMX-INIZCTEOSA-N 2 0 317.477 2.572 20 0 DFADRP COc1cc(CN2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)sn1 ZINC000660114294 431273894 /nfs/dbraw/zinc/27/38/94/431273894.db2.gz GMJZULKXTOWTOF-SWLSCSKDSA-N 2 0 307.463 2.600 20 0 DFADRP CCC[NH+](CCC)CCCC(=O)N1CCC[C@@H](C)[C@H]1CC[NH3+] ZINC000653240983 431330173 /nfs/dbraw/zinc/33/01/73/431330173.db2.gz WFKAMUZYLHQFMX-IAGOWNOFSA-N 2 0 311.514 2.865 20 0 DFADRP [NH3+]C1C[C@H]2CCC[C@@H](C1)C2[NH2+]Cc1cnn(Cc2ccccc2)c1 ZINC000666820890 431372038 /nfs/dbraw/zinc/37/20/38/431372038.db2.gz RAMMZMDXGIGFTJ-VCWRXUFXSA-N 2 0 324.472 2.927 20 0 DFADRP C[NH2+]C[C@H](C)C(=O)Nc1ccc(SCC[NH+]2CCCC2)cc1 ZINC000653253115 431336777 /nfs/dbraw/zinc/33/67/77/431336777.db2.gz HPTAONOSMMAFJK-AWEZNQCLSA-N 2 0 321.490 2.669 20 0 DFADRP C[C@@H]1C[N@@H+](CC2CC[NH+](C[C@H]3CCC(C)(C)O3)CC2)C[C@H](C)O1 ZINC000248547851 288153378 /nfs/dbraw/zinc/15/33/78/288153378.db2.gz GKHGVYZBVCBQIK-SOLBZPMBSA-N 2 0 324.509 2.765 20 0 DFADRP CC[C@@H](C)Oc1cc(C[NH2+]C[C@H]2CCC[NH2+]C2)ccc1OC ZINC000666763678 431349240 /nfs/dbraw/zinc/34/92/40/431349240.db2.gz PGCXEVRFMZXEFY-ZBFHGGJFSA-N 2 0 306.450 2.962 20 0 DFADRP CC1CC[NH+](CCC[NH2+]CCC(=O)N(C)c2ccccc2)CC1 ZINC000663283500 431350187 /nfs/dbraw/zinc/35/01/87/431350187.db2.gz FQFNMMWDRPBYMN-UHFFFAOYSA-N 2 0 317.477 2.751 20 0 DFADRP CC(C)c1cccc(C[NH2+]C2CCN(CC[NH+](C)C)CC2)c1 ZINC000663314498 431358764 /nfs/dbraw/zinc/35/87/64/431358764.db2.gz IQMJPOJXRWTYQD-UHFFFAOYSA-N 2 0 303.494 2.926 20 0 DFADRP Fc1cccc(F)c1-c1n[nH]cc1C[NH2+]CC[C@H]1CCC[NH2+]C1 ZINC000666792209 431358942 /nfs/dbraw/zinc/35/89/42/431358942.db2.gz USDUVDRRPUEVLW-GFCCVEGCSA-N 2 0 320.387 2.834 20 0 DFADRP CCC[N@H+](C)CC(C)(C)NC(=O)NCC[NH+](C(C)C)C(C)C ZINC000663420343 431414344 /nfs/dbraw/zinc/41/43/44/431414344.db2.gz MVXARRFHLBWVIN-UHFFFAOYSA-N 2 0 314.518 2.525 20 0 DFADRP Fc1cc(C[NH2+][C@@H]2CC23CC[NH2+]CC3)ccc1Br ZINC000666951970 431420628 /nfs/dbraw/zinc/42/06/28/431420628.db2.gz AIHWWORVQNAQJC-CYBMUJFWSA-N 2 0 313.214 2.820 20 0 DFADRP COc1ccc(C[NH2+][C@@H]2CC23CC[NH2+]CC3)c(OC(F)F)c1 ZINC000666952481 431422873 /nfs/dbraw/zinc/42/28/73/431422873.db2.gz YIPYWPAUBZNSPY-CQSZACIVSA-N 2 0 312.360 2.528 20 0 DFADRP Fc1cc(C[NH2+][C@@H]2CC23CC[NH2+]CC3)ccc1OC(F)F ZINC000666952411 431423121 /nfs/dbraw/zinc/42/31/21/431423121.db2.gz VMBJUJILBLKILF-CYBMUJFWSA-N 2 0 300.324 2.659 20 0 DFADRP c1ccc(COc2ccccc2C[NH2+][C@H]2CC23CC[NH2+]CC3)nc1 ZINC000666952218 431423321 /nfs/dbraw/zinc/42/33/21/431423321.db2.gz KSFVWRWPEAWZKJ-IBGZPJMESA-N 2 0 323.440 2.892 20 0 DFADRP Fc1ccc(C[NH2+][C@H]2CC23CC[NH2+]CC3)c(Br)c1 ZINC000666952506 431423401 /nfs/dbraw/zinc/42/34/01/431423401.db2.gz YVNOMZWWJOWWBC-ZDUSSCGKSA-N 2 0 313.214 2.820 20 0 DFADRP COc1ccc(C[NH2+]C[C@H]2CCC[N@H+](CC3CC3)C2)cc1OC ZINC000663347532 431375106 /nfs/dbraw/zinc/37/51/06/431375106.db2.gz NRBWGOMEKJTNOG-QGZVFWFLSA-N 2 0 318.461 2.915 20 0 DFADRP CC[C@H](O)C[NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CC12CCC2 ZINC000663369226 431390579 /nfs/dbraw/zinc/39/05/79/431390579.db2.gz ZESZMGJRWMQRDA-ROUUACIJSA-N 2 0 302.462 2.649 20 0 DFADRP CC(C)(C)[C@@H]([NH3+])c1cn([C@@H]2CC[N@H+](Cc3ccccc3)C2)nn1 ZINC000656455340 431391730 /nfs/dbraw/zinc/39/17/30/431391730.db2.gz DKFKHKZQFAHVOR-WBVHZDCISA-N 2 0 313.449 2.771 20 0 DFADRP CC(C)(F)CCNc1ncnc2c1cnn2-c1ccncc1 ZINC000656474246 431399750 /nfs/dbraw/zinc/39/97/50/431399750.db2.gz ZQPUYMXAPOBLPQ-UHFFFAOYSA-N 2 0 300.341 2.761 20 0 DFADRP CC[C@H](CC(F)F)C[NH+]1CCN(c2cc[nH+]cc2OC)CC1 ZINC000660453802 431437959 /nfs/dbraw/zinc/43/79/59/431437959.db2.gz RLMLCTRJOHCSJW-CYBMUJFWSA-N 2 0 313.392 2.894 20 0 DFADRP Cc1ccccc1NC(=O)C[C@@H](C)[NH2+][C@@H]1CC[NH2+]C2(CCC2)C1 ZINC000666995188 431437989 /nfs/dbraw/zinc/43/79/89/431437989.db2.gz FOWWSQSXLSZTLH-HZPDHXFCSA-N 2 0 315.461 2.976 20 0 DFADRP C[C@H]([NH2+]CC1CC[NH+](Cc2ccccc2)CC1)[C@H]1CCC[NH2+]C1 ZINC000667006265 431443608 /nfs/dbraw/zinc/44/36/08/431443608.db2.gz XJOFRYAGRCXECP-PXNSSMCTSA-N 3 0 315.505 2.876 20 0 DFADRP COc1ccc(C[NH2+]CC[C@@H]([NH3+])C(C)C)c(OC(F)F)c1 ZINC000663497834 431445245 /nfs/dbraw/zinc/44/52/45/431445245.db2.gz HBCKJCBPXPYFLX-CYBMUJFWSA-N 2 0 302.365 2.760 20 0 DFADRP Cn1ccc([C@@H]([NH2+]C2CCC([NH3+])CC2)c2ccc(F)cc2)n1 ZINC000667011157 431445292 /nfs/dbraw/zinc/44/52/92/431445292.db2.gz AKJFBWNPJQNAHT-DQPZFDDXSA-N 2 0 302.397 2.508 20 0 DFADRP Cc1cccc(NC(=O)C[C@@H](C)[NH2+]CC[C@@H]([NH3+])C(C)C)c1C ZINC000663502385 431446661 /nfs/dbraw/zinc/44/66/61/431446661.db2.gz HOYORYBVDLEIPQ-GDBMZVCRSA-N 2 0 305.466 2.984 20 0 DFADRP C[N@H+](Cc1ccccc1)C1CN(Cc2cnc3ccccn23)C1 ZINC000656670296 431469154 /nfs/dbraw/zinc/46/91/54/431469154.db2.gz OXUCDICHXJMNJQ-UHFFFAOYSA-N 2 0 306.413 2.651 20 0 DFADRP C[N@H+](CCc1noc2ccccc21)C[C@@H]1CCn2ccnc2C1 ZINC000653646742 431472808 /nfs/dbraw/zinc/47/28/08/431472808.db2.gz AOWCHLCQMITQEV-CQSZACIVSA-N 2 0 310.401 2.761 20 0 DFADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1nc([C@@H]2CCC[NH2+]2)no1 ZINC000647144816 431476470 /nfs/dbraw/zinc/47/64/70/431476470.db2.gz GQZSBIJDGQIMCL-BMFZPTHFSA-N 2 0 312.417 2.730 20 0 DFADRP Cc1ccc([C@@H]2C[C@H](C)[NH+](C[C@H](O)C[N@@H+](C)C(C)C)C2)cc1 ZINC000660432832 431429109 /nfs/dbraw/zinc/42/91/09/431429109.db2.gz XXEGFTOAGOSECE-QXAKKESOSA-N 2 0 304.478 2.874 20 0 DFADRP Cn1ncc2c1CCC[C@H]2[NH2+]C[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000663467211 431431077 /nfs/dbraw/zinc/43/10/77/431431077.db2.gz DSCPWQXKTWZUNF-NVXWUHKLSA-N 2 0 302.466 2.509 20 0 DFADRP CC(C)[C@H](Cn1cccn1)[NH2+]C[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000663466566 431432136 /nfs/dbraw/zinc/43/21/36/431432136.db2.gz VOGKQFWNUUDEIT-ROUUACIJSA-N 2 0 304.482 2.619 20 0 DFADRP C[N@@H+]1CCCC[C@H]1CN1CC[NH+](CCC(C)(C)C2CC2)CC1 ZINC000653554400 431432783 /nfs/dbraw/zinc/43/27/83/431432783.db2.gz BGHKCSNWALXCEV-SFHVURJKSA-N 2 0 307.526 2.915 20 0 DFADRP CC(C)[C@H](Cn1cccn1)[NH2+]C[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000663466564 431433047 /nfs/dbraw/zinc/43/30/47/431433047.db2.gz VOGKQFWNUUDEIT-MSOLQXFVSA-N 2 0 304.482 2.619 20 0 DFADRP CO[C@@H]1[C@H](C)[C@@H]([NH2+]C[C@H]2CCC[N@H+](CC3CC3)C2)C12CCC2 ZINC000663468555 431434417 /nfs/dbraw/zinc/43/44/17/431434417.db2.gz MBYYMOXIYHDUCV-VDHUWJSZSA-N 2 0 306.494 2.902 20 0 DFADRP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCN(c3cc[nH+]c4ccccc43)C2)C1 ZINC000650298802 431516256 /nfs/dbraw/zinc/51/62/56/431516256.db2.gz ZQDRPOVFGIFQIJ-QMTMVMCOSA-N 2 0 311.429 2.958 20 0 DFADRP Cc1nn(C(C)C)cc1C[N@@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000656782407 431519958 /nfs/dbraw/zinc/51/99/58/431519958.db2.gz GAVFFRCMSQKRAC-QGZVFWFLSA-N 2 0 304.482 2.984 20 0 DFADRP CCN(C)c1ccc(C[NH+]2CCC([C@@H]3CCC[NH2+]C3)CC2)cn1 ZINC000656785449 431521853 /nfs/dbraw/zinc/52/18/53/431521853.db2.gz HSABSPFECUJCMS-GOSISDBHSA-N 2 0 316.493 2.749 20 0 DFADRP CCn1nc(C)c(C[NH+]2CCC([C@@H]3CCC[NH2+]C3)CC2)c1C ZINC000656786780 431522092 /nfs/dbraw/zinc/52/20/92/431522092.db2.gz XNWTYHZGEJVBQP-QGZVFWFLSA-N 2 0 304.482 2.731 20 0 DFADRP Cc1cccc2ncc(C[N@@H+]3CCC[C@H](C4CC[NH2+]CC4)C3)n21 ZINC000656785934 431522776 /nfs/dbraw/zinc/52/27/76/431522776.db2.gz NNDZLQZECPSWJD-KRWDZBQOSA-N 2 0 312.461 2.854 20 0 DFADRP Cc1cccn2c(C[NH+]3CCC([C@@H]4CCC[NH2+]C4)CC3)cnc12 ZINC000656785959 431522948 /nfs/dbraw/zinc/52/29/48/431522948.db2.gz OGLIXUPRTKOINE-QGZVFWFLSA-N 2 0 312.461 2.854 20 0 DFADRP Cn1cnc2cc(C[NH+]3CCC([C@@H]4CCC[NH2+]C4)CC3)ccc21 ZINC000656787302 431523377 /nfs/dbraw/zinc/52/33/77/431523377.db2.gz WWTUQGKILXOZGC-QGZVFWFLSA-N 2 0 312.461 2.785 20 0 DFADRP CC[N@H+](C)C[C@H](O)CN1CCc2ccc(Cl)cc2[C@@H](C)C1 ZINC000653779006 431523768 /nfs/dbraw/zinc/52/37/68/431523768.db2.gz VUIYUQXGVMBUBQ-BBRMVZONSA-N 2 0 310.869 2.614 20 0 DFADRP c1ccc(C[N@@H+]2CCC[C@@H](c3nc([C@H]4CCC[NH2+]4)no3)C2)cc1 ZINC000647151388 431482003 /nfs/dbraw/zinc/48/20/03/431482003.db2.gz DPNYIWVYRPDZEU-HZPDHXFCSA-N 2 0 312.417 2.874 20 0 DFADRP Cc1[nH+]c2c(n1C[C@@H](O)C[N@@H+](C)Cc1ccccc1)CCCC2 ZINC000656704591 431484930 /nfs/dbraw/zinc/48/49/30/431484930.db2.gz YWRTUBAWVRQMMS-KRWDZBQOSA-N 2 0 313.445 2.563 20 0 DFADRP CC[NH+]1CCC([NH2+]Cc2cn(C)nc2-c2ccc(C)o2)CC1 ZINC000647168165 431489594 /nfs/dbraw/zinc/48/95/94/431489594.db2.gz KUGGXQRYPSWEGU-UHFFFAOYSA-N 2 0 302.422 2.562 20 0 DFADRP CC[C@H]([NH2+]CC(=O)NC1CC[NH+](CC)CC1)C1CCCCC1 ZINC000663667570 431490687 /nfs/dbraw/zinc/49/06/87/431490687.db2.gz UWENDQGMQQPMJJ-KRWDZBQOSA-N 2 0 309.498 2.535 20 0 DFADRP C[NH+]1CCC(N2CCC([NH2+]C3CCC(F)(F)CC3)CC2)CC1 ZINC000647177126 431494087 /nfs/dbraw/zinc/49/40/87/431494087.db2.gz MDCBYNAWAVDJPB-UHFFFAOYSA-N 2 0 315.452 2.713 20 0 DFADRP C[C@@H]1C[C@H](C)C[N@@H+](CCN2CC[NH+](C3CCC3)C[C@@H](C)C2)C1 ZINC000660613572 431514858 /nfs/dbraw/zinc/51/48/58/431514858.db2.gz OVXGWLUWNHLCAM-KSZLIROESA-N 2 0 307.526 2.771 20 0 DFADRP Cc1ccc(-c2nn(C)cc2C[NH2+]CC[C@H]2CCC[N@H+](C)C2)o1 ZINC000647217152 431515606 /nfs/dbraw/zinc/51/56/06/431515606.db2.gz BLIHVVSCGOGYKZ-OAHLLOKOSA-N 2 0 316.449 2.810 20 0 DFADRP C[C@@H]([NH2+]C[C@@H]1C[N@H+](C)C[C@H]1c1ccccc1)[C@]1(C)CCCO1 ZINC000647344622 431559591 /nfs/dbraw/zinc/55/95/91/431559591.db2.gz VRFJCWHHHXYBSN-YSHGAJCASA-N 2 0 302.462 2.879 20 0 DFADRP Cn1cc2c(n1)CCC[C@@H]2[NH2+]C[C@@H]1C[N@H+](C)C[C@H]1c1ccccc1 ZINC000647344544 431560172 /nfs/dbraw/zinc/56/01/72/431560172.db2.gz TZMWDOWRABNRBW-AOIWGVFYSA-N 2 0 324.472 2.733 20 0 DFADRP Cn1cc2c(n1)CCC[C@H]2[NH2+]C[C@@H]1C[N@H+](C)C[C@H]1c1ccccc1 ZINC000647344545 431560376 /nfs/dbraw/zinc/56/03/76/431560376.db2.gz TZMWDOWRABNRBW-ZIFCJYIRSA-N 2 0 324.472 2.733 20 0 DFADRP CC(C)C[C@@H]([NH2+]CCCC[NH+]1CCN(C)CC1)c1ccncc1 ZINC000647282735 431535886 /nfs/dbraw/zinc/53/58/86/431535886.db2.gz QFVKBCJWVRWTRR-LJQANCHMSA-N 2 0 318.509 2.786 20 0 DFADRP C[N@@H+]1CC[C@]2(C1)CCC[NH+](C[C@H](O)Cc1cccc(Cl)c1)C2 ZINC000660661257 431536372 /nfs/dbraw/zinc/53/63/72/431536372.db2.gz BZKZTPSRWNWLOW-MSOLQXFVSA-N 2 0 322.880 2.661 20 0 DFADRP CC(C)C[C@H]([NH2+]C[C@H](C)CN1CC[NH+](C)CC1)c1ccncc1 ZINC000647287758 431538516 /nfs/dbraw/zinc/53/85/16/431538516.db2.gz RPGMRIBCPZEQSF-HKUYNNGSSA-N 2 0 318.509 2.642 20 0 DFADRP COc1cc2cc[nH+]c(N3CC[C@@H](C[NH+](C)C)C3)c2cc1OC ZINC000663787643 431539089 /nfs/dbraw/zinc/53/90/89/431539089.db2.gz KRDMZXFYFYPLON-ZDUSSCGKSA-N 2 0 315.417 2.640 20 0 DFADRP CC1CC[NH+](CCN2CCC([NH2+]Cc3ccccc3)CC2)CC1 ZINC000660674106 431545819 /nfs/dbraw/zinc/54/58/19/431545819.db2.gz BZZYQACSVKVOHZ-UHFFFAOYSA-N 2 0 315.505 2.973 20 0 DFADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CSc3ccccc3O2)[C@@H](C)C1 ZINC000647314137 431547099 /nfs/dbraw/zinc/54/70/99/431547099.db2.gz YZAFPDATLCXJOG-ZNMIVQPWSA-N 2 0 306.475 2.860 20 0 DFADRP Cc1cccc2nc(CC[NH2+]C3CC[NH+](CC4CC4)CC3)cn21 ZINC000647364498 431566175 /nfs/dbraw/zinc/56/61/75/431566175.db2.gz BKBFVMNFEAIZSP-UHFFFAOYSA-N 2 0 312.461 2.649 20 0 DFADRP C[C@]1([NH3+])CCCC[C@@H]1C(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000263015851 280165270 /nfs/dbraw/zinc/16/52/70/280165270.db2.gz QJAKFVNMQJYQMZ-MJGOQNOKSA-N 2 0 321.509 2.807 20 0 DFADRP CC[C@@H]1C[N@H+](Cc2c[nH]nc2-c2ccc(OC)cc2)CC[C@@H]1[NH3+] ZINC000647498188 431604838 /nfs/dbraw/zinc/60/48/38/431604838.db2.gz CGSDJXCXXIPJTD-DYVFJYSZSA-N 2 0 314.433 2.645 20 0 DFADRP Cc1cc(F)ccc1[C@H]1CCCN1C[C@H](O)C[N@@H+](C)C(C)C ZINC000660753681 431579228 /nfs/dbraw/zinc/57/92/28/431579228.db2.gz KGUSXVFPPUBSGB-SJLPKXTDSA-N 2 0 308.441 2.972 20 0 DFADRP [NH3+][C@@H]1CCO[C@@H](C2CC[NH+](Cc3cccc4c3CCC4)CC2)C1 ZINC000650704148 431652339 /nfs/dbraw/zinc/65/23/39/431652339.db2.gz KAAZMTDFFZFQNS-UYAOXDASSA-N 2 0 314.473 2.894 20 0 DFADRP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCC[N@H+](Cc3c(F)cccc3F)C2)C1 ZINC000650705675 431652410 /nfs/dbraw/zinc/65/24/10/431652410.db2.gz QFTJBRXEIAMZNT-XNJGSVPQSA-N 2 0 310.388 2.683 20 0 DFADRP COc1ccc(C[N@@H+]2CCC[C@H]([C@H]3C[C@H]([NH3+])CCO3)C2)cc1F ZINC000650706417 431652618 /nfs/dbraw/zinc/65/26/18/431652618.db2.gz JXZFKOHXNWXECM-HDMKZQKVSA-N 2 0 322.424 2.553 20 0 DFADRP c1cc(C[NH2+][C@H]2CCc3ccccc3C2)n(-c2cc[nH+]cc2)n1 ZINC000657289871 431652571 /nfs/dbraw/zinc/65/25/71/431652571.db2.gz UMTPSODKVJUJKS-KRWDZBQOSA-N 2 0 304.397 2.914 20 0 DFADRP COc1ccc(C[N@@H+]2CCC[C@H]([C@H]3C[C@H]([NH3+])CCO3)C2)cc1C ZINC000650705228 431652735 /nfs/dbraw/zinc/65/27/35/431652735.db2.gz ABFMFKBZSVBVAE-YQVWRLOYSA-N 2 0 318.461 2.722 20 0 DFADRP Cc1ccc(F)c(C[N@@H+]2CCC[C@H]([C@@H]3C[C@H]([NH3+])CCO3)C2)c1 ZINC000650706667 431653033 /nfs/dbraw/zinc/65/30/33/431653033.db2.gz PYLWVXGCRBWWFC-LESCRADOSA-N 2 0 306.425 2.852 20 0 DFADRP COc1ccc(C[NH2+]Cc2ccc(C[NH3+])cc2F)cc1OC ZINC000650718230 431661945 /nfs/dbraw/zinc/66/19/45/431661945.db2.gz DDMCDFNYGWZBGJ-UHFFFAOYSA-N 2 0 304.365 2.591 20 0 DFADRP Cc1cc(F)ccc1C[N@@H+]1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1 ZINC000650705915 431653805 /nfs/dbraw/zinc/65/38/05/431653805.db2.gz AFCZMQXJBMPISU-JQHSSLGASA-N 2 0 306.425 2.852 20 0 DFADRP CCOc1cccc(C[N@@H+]2CCC[C@H]([C@H]3C[C@H]([NH3+])CCO3)C2)c1 ZINC000650705757 431654562 /nfs/dbraw/zinc/65/45/62/431654562.db2.gz UKTKFFIXKVVKQS-YQVWRLOYSA-N 2 0 318.461 2.804 20 0 DFADRP Cc1ccc(-c2n[nH]cc2C[N@@H+]2C[C@@H]3CCC[C@]3(C[NH3+])C2)cc1 ZINC000650708910 431656053 /nfs/dbraw/zinc/65/60/53/431656053.db2.gz USZJGLUVSFSBEW-HKUYNNGSSA-N 2 0 310.445 2.946 20 0 DFADRP COc1cc(C[N@@H+]2CCC[C@H]([C@H]3C[C@@H]([NH3+])CCO3)C2)ccc1C ZINC000650708339 431656599 /nfs/dbraw/zinc/65/65/99/431656599.db2.gz YDTRSSAEQWCDCZ-JENIJYKNSA-N 2 0 318.461 2.722 20 0 DFADRP Cc1ccc(CCC[N@@H+]2CCC[C@H]([C@@H]3C[C@H]([NH3+])CCO3)C2)cn1 ZINC000650708318 431657062 /nfs/dbraw/zinc/65/70/62/431657062.db2.gz XRQCJUBZBFCIGS-OTWHNJEPSA-N 2 0 317.477 2.541 20 0 DFADRP [NH3+][C@@H]1CCO[C@H]([C@H]2CCC[N@H+](Cc3cccc4c3CCC4)C2)C1 ZINC000650708922 431657271 /nfs/dbraw/zinc/65/72/71/431657271.db2.gz VNBRNDVDSILXMW-NSHGMRRFSA-N 2 0 314.473 2.894 20 0 DFADRP C[C@@H]1CCC[N@H+](Cc2cnn(-c3ccc(F)cc3)c2)[C@H]1CC[NH3+] ZINC000650711152 431657956 /nfs/dbraw/zinc/65/79/56/431657956.db2.gz KASFSVDZVASFQO-KDOFPFPSSA-N 2 0 316.424 2.961 20 0 DFADRP CCN(CC)[C@H](C)C[NH2+]C[C@@H]1CCCO[C@H]1c1cnn(CC)c1 ZINC000657301400 431658171 /nfs/dbraw/zinc/65/81/71/431658171.db2.gz CWNVNVUVEIXKLN-SOLBZPMBSA-N 2 0 322.497 2.691 20 0 DFADRP COc1cc(C[NH2+]CCC2(C[NH3+])CC2)c(SC)cc1OC ZINC000650712530 431659679 /nfs/dbraw/zinc/65/96/79/431659679.db2.gz IIVZJALHSPXHDS-UHFFFAOYSA-N 2 0 310.463 2.644 20 0 DFADRP COc1cccc(-c2n[nH]cc2C[N@@H+]2CCC[C@H]([C@H](C)[NH3+])C2)c1 ZINC000647496843 431606550 /nfs/dbraw/zinc/60/65/50/431606550.db2.gz XUVWSNOGDAJOGY-ZFWWWQNUSA-N 2 0 314.433 2.645 20 0 DFADRP CC[C@H]1C[N@H+](Cc2ccc(Oc3cnccn3)cc2)CC[C@H]1[NH3+] ZINC000647499085 431608589 /nfs/dbraw/zinc/60/85/89/431608589.db2.gz ZGEJTZRKULLNMX-DOTOQJQBSA-N 2 0 312.417 2.828 20 0 DFADRP C[NH2+]CCC1CC[NH+](Cc2cn(C)nc2-c2ccc(C)o2)CC1 ZINC000647509943 431611797 /nfs/dbraw/zinc/61/17/97/431611797.db2.gz FVSDPYXXEHYZSQ-UHFFFAOYSA-N 2 0 316.449 2.810 20 0 DFADRP C[C@H]1C[C@H](C[NH3+])C[N@@H+]1Cc1cnn(Cc2ccccc2Cl)c1 ZINC000647509239 431611924 /nfs/dbraw/zinc/61/19/24/431611924.db2.gz XAWUUMOMMWHIBK-UONOGXRCSA-N 2 0 318.852 2.754 20 0 DFADRP Fc1ccc(COC2CC[NH+](C[C@H]3CCC[NH2+]C3)CC2)cc1 ZINC000647518457 431613963 /nfs/dbraw/zinc/61/39/63/431613963.db2.gz KYHBEWNGIVCMMN-INIZCTEOSA-N 2 0 306.425 2.806 20 0 DFADRP C[C@@H]1CCCC[N@@H+]1CCC1CC[NH+](Cc2ccc(N)nc2)CC1 ZINC000647518085 431614995 /nfs/dbraw/zinc/61/49/95/431614995.db2.gz CWEYUDILSAEGEY-MRXNPFEDSA-N 2 0 316.493 2.971 20 0 DFADRP COc1cccc(CC2CC[NH+](C[C@]3(C)CC[NH2+]C3)CC2)c1 ZINC000647518673 431615348 /nfs/dbraw/zinc/61/53/48/431615348.db2.gz YRGBIRVXBROASX-LJQANCHMSA-N 2 0 302.462 2.949 20 0 DFADRP COc1cccc(-c2n[nH]cc2C[N@@H+]2CCC[C@H](CC[NH3+])C2)c1 ZINC000647535632 431619808 /nfs/dbraw/zinc/61/98/08/431619808.db2.gz FNYAJNDNJDJRPQ-CQSZACIVSA-N 2 0 314.433 2.646 20 0 DFADRP COc1cccc(C[N@@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)c1OC ZINC000647543228 431625426 /nfs/dbraw/zinc/62/54/26/431625426.db2.gz JRWOYECSDBXAGS-JKSUJKDBSA-N 2 0 318.461 2.915 20 0 DFADRP C[NH2+]Cc1ccccc1C[NH2+][C@H](C)CC(=O)N1CCCCCC1 ZINC000650719529 431661074 /nfs/dbraw/zinc/66/10/74/431661074.db2.gz SRJOLIPYWDXWIE-MRXNPFEDSA-N 2 0 317.477 2.677 20 0 DFADRP C[C@@H]([NH3+])C[C@@H](C)[NH2+]Cc1cnn(Cc2ccccc2Cl)c1 ZINC000647552561 431627099 /nfs/dbraw/zinc/62/70/99/431627099.db2.gz HOCSGPBABAIACE-CHWSQXEVSA-N 2 0 306.841 2.800 20 0 DFADRP NC[C@H]([NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1)c1ccc2ccccc2c1 ZINC000647547009 431627791 /nfs/dbraw/zinc/62/77/91/431627791.db2.gz KMHCSFTXONTOEG-WTGUMLROSA-N 2 0 309.457 2.817 20 0 DFADRP C[C@H]([NH3+])C[C@H](C)[NH2+]Cc1cnn(Cc2ccccc2Cl)c1 ZINC000647552564 431628500 /nfs/dbraw/zinc/62/85/00/431628500.db2.gz HOCSGPBABAIACE-STQMWFEESA-N 2 0 306.841 2.800 20 0 DFADRP CC(C)CC[NH+]1CCC(C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)CC1 ZINC000647550494 431628664 /nfs/dbraw/zinc/62/86/64/431628664.db2.gz UKJYYWYBZZZDJX-CEXWTWQISA-N 3 0 307.526 2.722 20 0 DFADRP COc1ccc(CCC[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)cc1OC ZINC000647550363 431628902 /nfs/dbraw/zinc/62/89/02/431628902.db2.gz NBDFZRVQGHVSKL-YESZJQIVSA-N 2 0 318.461 2.614 20 0 DFADRP CCn1nccc1[C@@H]1OCCC[C@H]1C[NH2+]CC(C)(C)C[NH+](C)C ZINC000657285547 431648167 /nfs/dbraw/zinc/64/81/67/431648167.db2.gz IVGLXFSOQCRXNN-DOTOQJQBSA-N 2 0 322.497 2.548 20 0 DFADRP CC[NH+]1CCN([C@@H](C)C[NH2+]Cc2cc3ccc(C)cc3[nH]2)CC1 ZINC000657309380 431664452 /nfs/dbraw/zinc/66/44/52/431664452.db2.gz DRJAVQZGQJKQCL-INIZCTEOSA-N 2 0 314.477 2.592 20 0 DFADRP CC(C)n1ncc2cc(C[NH+]3CCC(CC[NH3+])CC3)cnc21 ZINC000650721217 431664710 /nfs/dbraw/zinc/66/47/10/431664710.db2.gz WMESDTDAXVFZKF-UHFFFAOYSA-N 2 0 301.438 2.573 20 0 DFADRP CCc1nc(CN2CCCC[C@@H]2[C@@H]2C[C@@H]([NH3+])CCO2)cs1 ZINC000650723755 431664883 /nfs/dbraw/zinc/66/48/83/431664883.db2.gz SXCMOIWYHKVZPB-CFVMTHIKSA-N 2 0 309.479 2.566 20 0 DFADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+][C@H]1CCCc2c1ccc(=O)n2C ZINC000650724609 431667776 /nfs/dbraw/zinc/66/77/76/431667776.db2.gz JBZYSAGRRHWQPR-VYDXJSESSA-N 2 0 317.477 2.663 20 0 DFADRP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCC[N@@H+]2Cc2scnc2C2CC2)C1 ZINC000650725215 431668584 /nfs/dbraw/zinc/66/85/84/431668584.db2.gz VVILKLVHRLHUJR-RBSFLKMASA-N 2 0 321.490 2.881 20 0 DFADRP C[C@@H](C[NH2+]Cc1ccc(O[C@@H]2CCOC2)cc1)C[NH+]1CCCC1 ZINC000657319199 431673379 /nfs/dbraw/zinc/67/33/79/431673379.db2.gz UZXFSNYSPJYGDO-QFBILLFUSA-N 2 0 318.461 2.676 20 0 DFADRP C[C@H]1[C@@H]([NH2+]CCC2(C[NH3+])CC2)CCCN1Cc1ccccc1 ZINC000650747977 431677348 /nfs/dbraw/zinc/67/73/48/431677348.db2.gz KUVYSQWTVQJALG-WMZOPIPTSA-N 2 0 301.478 2.758 20 0 DFADRP C[C@H]([NH2+]CCC1(C[NH3+])CC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000650746096 431678027 /nfs/dbraw/zinc/67/80/27/431678027.db2.gz VZVKYJPWFXFRJX-FUHWJXTLSA-N 3 0 301.478 2.616 20 0 DFADRP C[C@H](CC(=O)Nc1ccccc1)[NH2+]Cc1ccc(C[NH3+])cc1F ZINC000650751852 431678995 /nfs/dbraw/zinc/67/89/95/431678995.db2.gz COYWCABOYCOGQI-CYBMUJFWSA-N 2 0 315.392 2.791 20 0 DFADRP C[NH2+]Cc1ccccc1C[NH2+][C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1 ZINC000650756318 431681746 /nfs/dbraw/zinc/68/17/46/431681746.db2.gz ZIDPVPQOYODIDC-IPMKNSEASA-N 3 0 301.478 2.806 20 0 DFADRP Cn1nccc1[C@H]1CCC[C@H]([NH2+]Cc2ccc(C[NH3+])cc2F)C1 ZINC000650754224 431682983 /nfs/dbraw/zinc/68/29/83/431682983.db2.gz DICNVANQYRNWAK-HOCLYGCPSA-N 2 0 316.424 2.834 20 0 DFADRP COc1ccc([C@@H](C)[NH2+]CCC2CC[NH2+]CC2)cc1NC(C)=O ZINC000650764230 431683870 /nfs/dbraw/zinc/68/38/70/431683870.db2.gz TZVKPYPENBUKOT-CYBMUJFWSA-N 2 0 319.449 2.694 20 0 DFADRP CC[N@H+](C)Cc1cccc(C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)c1 ZINC000647786532 431684012 /nfs/dbraw/zinc/68/40/12/431684012.db2.gz RCAZLWBCUBWLAG-GUDVDZBRSA-N 3 0 301.478 2.616 20 0 DFADRP CN(C)[C@H](C[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1)c1ccc(Cl)cc1 ZINC000647787997 431684225 /nfs/dbraw/zinc/68/42/25/431684225.db2.gz BLOSJHDCRBDJCZ-BURFUSLBSA-N 2 0 321.896 2.920 20 0 DFADRP CN(CCC[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)c1ccccc1F ZINC000647786273 431684555 /nfs/dbraw/zinc/68/45/55/431684555.db2.gz LTGUQPBDKPXMLY-OWCLPIDISA-N 2 0 305.441 2.630 20 0 DFADRP Fc1ccc(N2CCC([NH2+]CCC3CC[NH2+]CC3)CC2)c(F)c1 ZINC000650764006 431684624 /nfs/dbraw/zinc/68/46/24/431684624.db2.gz OGLXKZNSHRKJLQ-UHFFFAOYSA-N 2 0 323.431 2.913 20 0 DFADRP COc1ccc(C[C@H](C)[NH2+]CCC2CC[NH2+]CC2)cc1OC ZINC000650763723 431684794 /nfs/dbraw/zinc/68/47/94/431684794.db2.gz HWKTZPYILXPHJR-AWEZNQCLSA-N 2 0 306.450 2.614 20 0 DFADRP c1ccc([C@H]([NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)[C@@H]2CCCO2)cc1 ZINC000647786520 431685397 /nfs/dbraw/zinc/68/53/97/431685397.db2.gz QZHOCCVOHKSIJN-QQXKLLMISA-N 2 0 300.446 2.884 20 0 DFADRP c1ccc([C@H](CN2CCCC2)[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000647789085 431686424 /nfs/dbraw/zinc/68/64/24/431686424.db2.gz XZSFQNIVTSITON-WTGUMLROSA-N 2 0 313.489 2.801 20 0 DFADRP C[C@H]([NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)[C@@H]1Oc2ccccc2[C@H]1C ZINC000647791548 431688037 /nfs/dbraw/zinc/68/80/37/431688037.db2.gz HCOAKVIPQYRYCO-URAAOEHOSA-N 2 0 300.446 2.917 20 0 DFADRP C(C[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1)Cc1nc2c(s1)CCCC2 ZINC000647789687 431688363 /nfs/dbraw/zinc/68/83/63/431688363.db2.gz JHZLSQMTYGBXLY-SOUVJXGZSA-N 2 0 319.518 2.932 20 0 DFADRP Cc1ccccc1[C@H]([C@H](C)[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1)N(C)C ZINC000647795916 431689486 /nfs/dbraw/zinc/68/94/86/431689486.db2.gz ZMFWMYMMQIUESV-ZIVNCQHPSA-N 2 0 315.505 2.964 20 0 DFADRP Fc1ccc(C2(C[NH2+][C@@H]3CC[C@@H]4C[NH2+]C[C@@H]4C3)CC2)c(F)c1 ZINC000647794073 431689531 /nfs/dbraw/zinc/68/95/31/431689531.db2.gz QGEZPDAGYMAPPA-VNHYZAJKSA-N 2 0 306.400 2.974 20 0 DFADRP Cn1c(C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)nc2cccc(Cl)c21 ZINC000647795388 431690299 /nfs/dbraw/zinc/69/02/99/431690299.db2.gz PLZBJVWSNJQSOX-RWMBFGLXSA-N 2 0 318.852 2.704 20 0 DFADRP Fc1cccc(N2CCCC2)c1C[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000647797030 431691173 /nfs/dbraw/zinc/69/11/73/431691173.db2.gz VJKMNPGJDULWKY-OWCLPIDISA-N 2 0 317.452 2.904 20 0 DFADRP COc1cccc([C@H]2C[C@H]([NH2+][C@@H]3CC[C@@H]4C[NH2+]C[C@H]4C3)C2)c1 ZINC000647798487 431691572 /nfs/dbraw/zinc/69/15/72/431691572.db2.gz RJYDWLRKLYSMTD-DUQPFJRNSA-N 2 0 300.446 2.919 20 0 DFADRP c1ccc([C@@H]2CC[C@H](C[NH2+][C@@H]3CC[C@@H]4C[NH2+]C[C@@H]4C3)O2)cc1 ZINC000647797889 431691710 /nfs/dbraw/zinc/69/17/10/431691710.db2.gz GIJGWCYLDKQBMH-ZRSRNVLSSA-N 2 0 300.446 2.884 20 0 DFADRP COc1cc(CC[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)ccc1Cl ZINC000647797811 431691778 /nfs/dbraw/zinc/69/17/78/431691778.db2.gz CSSZEDUKZYFUOJ-RBSFLKMASA-N 2 0 308.853 2.869 20 0 DFADRP COc1cc(CC[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)ccc1Cl ZINC000647797810 431691899 /nfs/dbraw/zinc/69/18/99/431691899.db2.gz CSSZEDUKZYFUOJ-QLFBSQMISA-N 2 0 308.853 2.869 20 0 DFADRP CC[NH+]1CCC(C[NH2+]Cc2ccc(O[C@H]3CCOC3)cc2)CC1 ZINC000657347424 431694029 /nfs/dbraw/zinc/69/40/29/431694029.db2.gz QSXBPGVZUHTVRH-IBGZPJMESA-N 2 0 318.461 2.676 20 0 DFADRP Cn1ncc(C2CC2)c1C[NH2+]Cc1ccc(F)c(C[NH+](C)C)c1 ZINC000657364422 431703123 /nfs/dbraw/zinc/70/31/23/431703123.db2.gz UUNSZRGYSIOZON-UHFFFAOYSA-N 2 0 316.424 2.788 20 0 DFADRP c1cc(C[NH2+][C@@H]2C[C@@H]2Cc2ccccc2)n(-c2cc[nH+]cc2)n1 ZINC000657376300 431711650 /nfs/dbraw/zinc/71/16/50/431711650.db2.gz QERSQEGSHILFRU-QFBILLFUSA-N 2 0 304.397 2.988 20 0 DFADRP CC[NH+]1CCC(CC[NH2+]Cc2c(C3CCC3)cnn2C)CC1 ZINC000657375768 431711769 /nfs/dbraw/zinc/71/17/69/431711769.db2.gz DIWTWRXQAYCMMZ-UHFFFAOYSA-N 2 0 304.482 2.899 20 0 DFADRP COC[C@H](C)Oc1ccc(C[NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)cc1 ZINC000657376550 431711941 /nfs/dbraw/zinc/71/19/41/431711941.db2.gz RYFDRBCWBYOJDR-VYDXJSESSA-N 2 0 306.450 2.673 20 0 DFADRP O=C(CC[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1)NCC1CCCCC1 ZINC000647903452 431724456 /nfs/dbraw/zinc/72/44/56/431724456.db2.gz JKHRMFNMONCGAT-MSOLQXFVSA-N 2 0 321.509 2.537 20 0 DFADRP CCCCOCCN(Cc1ccccn1)[C@@H]1CCC[NH2+]CC1 ZINC000647913543 431725547 /nfs/dbraw/zinc/72/55/47/431725547.db2.gz PHHISPKZNTWAKJ-GOSISDBHSA-N 2 0 305.466 2.842 20 0 DFADRP CC[C@H]1C[N@H+](CCC(=O)Nc2cccc(F)c2C)CC[C@@H]1[NH3+] ZINC000647936286 431737693 /nfs/dbraw/zinc/73/76/93/431737693.db2.gz AUWAIHCCACIWGY-ZFWWWQNUSA-N 2 0 307.413 2.522 20 0 DFADRP CC[C@H]1C[N@H+](CCC(=O)Nc2ccc(Cl)cc2)CC[C@H]1[NH3+] ZINC000647937434 431737934 /nfs/dbraw/zinc/73/79/34/431737934.db2.gz ZBWBEWDGWXNNBS-SWLSCSKDSA-N 2 0 309.841 2.728 20 0 DFADRP OC[C@H]([NH2+]Cc1cccc(C[NH+]2CCCCC2)c1)C1CCC1 ZINC000661154242 431752111 /nfs/dbraw/zinc/75/21/11/431752111.db2.gz OJDKBICTYNRVQJ-IBGZPJMESA-N 2 0 302.462 2.923 20 0 DFADRP Fc1c(C[NH2+][C@@H]2CCn3ccnc3C2)cccc1OC1CC1 ZINC000657440283 431752999 /nfs/dbraw/zinc/75/29/99/431752999.db2.gz QKXWRYPNTBOQHU-CYBMUJFWSA-N 2 0 301.365 2.668 20 0 DFADRP COC1(C[NH2+]Cc2ccnn2-c2cc[nH+]cc2)CCCCC1 ZINC000657438264 431753053 /nfs/dbraw/zinc/75/30/53/431753053.db2.gz YHESVIPLAIYUDU-UHFFFAOYSA-N 2 0 300.406 2.706 20 0 DFADRP Cc1ccc2cc(C[NH2+][C@H](C)CCN3CC[NH+](C)CC3)[nH]c2c1 ZINC000657438769 431753312 /nfs/dbraw/zinc/75/33/12/431753312.db2.gz OOQXYUPURWFNDR-MRXNPFEDSA-N 2 0 314.477 2.592 20 0 DFADRP CC(=O)Nc1cccc(C[N@@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)c1 ZINC000647978264 431762750 /nfs/dbraw/zinc/76/27/50/431762750.db2.gz PBRLNOJYPOGPRK-MSOLQXFVSA-N 2 0 315.461 2.857 20 0 DFADRP CC(C)C[C@H](C)N(C)C(=O)C[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647978280 431762948 /nfs/dbraw/zinc/76/29/48/431762948.db2.gz PIBJBXGVHOKFAM-BZSNNMDCSA-N 2 0 323.525 2.591 20 0 DFADRP Cn1nc(C(F)(F)F)cc1CNC1CC([NH+]2CCCCC2)C1 ZINC000657457663 431763887 /nfs/dbraw/zinc/76/38/87/431763887.db2.gz PGQXOGGLBNIJSM-UHFFFAOYSA-N 2 0 316.371 2.545 20 0 DFADRP CN(C)[C@H](C[NH2+]Cc1cnc2n1CCC2)c1ccc(Cl)cc1 ZINC000657381864 431715975 /nfs/dbraw/zinc/71/59/75/431715975.db2.gz CQQFGLIDJGSIPL-MRXNPFEDSA-N 2 0 318.852 2.875 20 0 DFADRP CCC[C@H](C)NC(=O)[C@H]1CCC[N@H+](CCCC2CC[NH2+]CC2)C1 ZINC000647883384 431716351 /nfs/dbraw/zinc/71/63/51/431716351.db2.gz MUFCMGWAATWTLY-WMZOPIPTSA-N 2 0 323.525 2.783 20 0 DFADRP Cc1ccc(CC[N@H+](C[C@@H]2CC[NH2+]C2)C[C@H]2CCCO2)cc1 ZINC000647889382 431717657 /nfs/dbraw/zinc/71/76/57/431717657.db2.gz LKZNBRFUKFUTNP-RTBURBONSA-N 2 0 302.462 2.628 20 0 DFADRP Cc1ccc(CC[N@H+](C[C@@H]2CC[NH2+]C2)C[C@@H]2CCCO2)cc1 ZINC000647889379 431718222 /nfs/dbraw/zinc/71/82/22/431718222.db2.gz LKZNBRFUKFUTNP-MOPGFXCFSA-N 2 0 302.462 2.628 20 0 DFADRP CCCNC(=O)C1([NH2+]CCCC2CC[NH2+]CC2)CCCCC1 ZINC000647892292 431721331 /nfs/dbraw/zinc/72/13/31/431721331.db2.gz OPHINYLCJPIADS-UHFFFAOYSA-N 2 0 309.498 2.585 20 0 DFADRP CC[N@H+](CCCNCc1cnc2n1CCC2)C1CCCCC1 ZINC000657501474 431787901 /nfs/dbraw/zinc/78/79/01/431787901.db2.gz VPADWYIXYXMULB-UHFFFAOYSA-N 2 0 304.482 2.964 20 0 DFADRP C[C@@H]1CC[C@@H]([NH2+]CC2CC[NH+](C3CCOCC3)CC2)CS1 ZINC000657537334 431799173 /nfs/dbraw/zinc/79/91/73/431799173.db2.gz HYJLTQCNIATHEO-GDBMZVCRSA-N 2 0 312.523 2.751 20 0 DFADRP Cc1cccc(C[NH2+]CC2CC[NH+](C3CCOCC3)CC2)c1 ZINC000657536987 431801114 /nfs/dbraw/zinc/80/11/14/431801114.db2.gz XBIRBGDCXIILHZ-UHFFFAOYSA-N 2 0 302.462 2.976 20 0 DFADRP C[C@@H]1CC[C@H]([NH2+]CC2CC[NH+](C3CCOCC3)CC2)CS1 ZINC000657537337 431801139 /nfs/dbraw/zinc/80/11/39/431801139.db2.gz HYJLTQCNIATHEO-ZBFHGGJFSA-N 2 0 312.523 2.751 20 0 DFADRP CCC[N@H+](Cc1ccc(OCC[NH+](C)C)cc1)[C@H]1CCN(C)C1 ZINC000648057486 431805340 /nfs/dbraw/zinc/80/53/40/431805340.db2.gz YGNVIMKSQNANQX-SFHVURJKSA-N 2 0 319.493 2.543 20 0 DFADRP C[C@@H](C[N@@H+]1CCOC2(CC[NH+](C)CC2)C1)c1ccc(F)cc1 ZINC000648071940 431809412 /nfs/dbraw/zinc/80/94/12/431809412.db2.gz BLBBTCYXHARGFE-HNNXBMFYSA-N 2 0 306.425 2.726 20 0 DFADRP C[C@H](Cc1ccc(F)cc1)[NH2+][C@@H](C)CN(C)CCC[NH+](C)C ZINC000657574080 431815523 /nfs/dbraw/zinc/81/55/23/431815523.db2.gz ZANSBUQDXVSARB-CVEARBPZSA-N 2 0 309.473 2.618 20 0 DFADRP COc1ccc(COCC[N@@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)cc1 ZINC000647986909 431766279 /nfs/dbraw/zinc/76/62/79/431766279.db2.gz PIEQTFYTNOYYKN-ZWKOTPCHSA-N 2 0 318.461 2.533 20 0 DFADRP CO[C@](C)(C[NH2+]Cc1ccnn1-c1cc[nH+]cc1)c1ccccc1 ZINC000657481705 431776972 /nfs/dbraw/zinc/77/69/72/431776972.db2.gz WLHIHTHQRBXOJK-LJQANCHMSA-N 2 0 322.412 2.919 20 0 DFADRP CCc1ccc(C[NH2+]Cc2ccc(C[N@@H+]3CC[C@H](O)C3)cc2)o1 ZINC000657597549 431820710 /nfs/dbraw/zinc/82/07/10/431820710.db2.gz UPIOEQLYULEKFG-KRWDZBQOSA-N 2 0 314.429 2.698 20 0 DFADRP C[C@@H]1CCC[C@@H]([NH2+]Cc2ccc(C[N@@H+]3CC[C@H](O)C3)cc2)C1 ZINC000657596773 431821981 /nfs/dbraw/zinc/82/19/81/431821981.db2.gz YRVKJPXTMHLJCT-LZQZEXGQSA-N 2 0 302.462 2.922 20 0 DFADRP COCc1csc(C[NH2+]Cc2ccnn2-c2cc[nH+]cc2)c1 ZINC000657659415 431834388 /nfs/dbraw/zinc/83/43/88/431834388.db2.gz JCAVLVVIFLZCRC-UHFFFAOYSA-N 2 0 314.414 2.765 20 0 DFADRP Cc1ccc2c(C[N@@H+]3C[C@@H]4CCC[C@@H]([NH3+])[C@@H]4C3)cc(=O)oc2c1 ZINC000261910887 281046658 /nfs/dbraw/zinc/04/66/58/281046658.db2.gz QFLJIFQMOPOSLP-IAOVAPTHSA-N 2 0 312.413 2.661 20 0 DFADRP CCC(C)(C)[NH2+][C@@H](C)C(=O)NC[C@@H](C)[N@H+](C)Cc1ccccc1 ZINC000356103465 282010591 /nfs/dbraw/zinc/01/05/91/282010591.db2.gz VEDZIPYRAAMDFB-CVEARBPZSA-N 2 0 319.493 2.790 20 0 DFADRP Cc1ccccc1[C@H](C)[NH2+][C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000370638789 292680165 /nfs/dbraw/zinc/68/01/65/292680165.db2.gz ZHDXKWMPDVGZJV-DLBZAZTESA-N 2 0 301.478 2.814 20 0 DFADRP COCC[C@H](COC)[NH2+]C1CC[NH+]([C@@H]2CCCC[C@@H]2C)CC1 ZINC000353630684 292692732 /nfs/dbraw/zinc/69/27/32/292692732.db2.gz NIRKLMGBMQTSNT-CGTJXYLNSA-N 2 0 312.498 2.671 20 0 DFADRP CCC[NH+](CCC)CCCC(=O)N1CCC[N@@H+]2CCC[C@@H]2C1 ZINC000363396491 289087831 /nfs/dbraw/zinc/08/78/31/289087831.db2.gz SVNYHYUWPGWWRL-QGZVFWFLSA-N 2 0 309.498 2.585 20 0 DFADRP CN(CC(C)(C)C[NH3+])C(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C ZINC000415781843 289136980 /nfs/dbraw/zinc/13/69/80/289136980.db2.gz DPOQIHJQBYGOKQ-INIZCTEOSA-N 2 0 318.465 2.684 20 0 DFADRP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@@H+]2CCCCOC(C)(C)C ZINC000354729266 289331576 /nfs/dbraw/zinc/33/15/76/289331576.db2.gz ISIYFYBDEOZZNP-IXDOHACOSA-N 2 0 312.498 2.765 20 0 DFADRP C[C@H](N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)[C@H]1CCC[NH+](C2CCC2)C1 ZINC000358476723 290019601 /nfs/dbraw/zinc/01/96/01/290019601.db2.gz YCFZICIRGCMSCO-IMBTUZDBSA-N 2 0 305.510 2.856 20 0 DFADRP C[C@H]([NH2+][C@@H]1C[C@H](C)[N@H+](C)C[C@@H]1C)c1ccc(NC(N)=O)cc1 ZINC000249309245 290031040 /nfs/dbraw/zinc/03/10/40/290031040.db2.gz KTWNSCDYSKBKOB-WFGGJUAMSA-N 2 0 304.438 2.557 20 0 DFADRP C[C@H](O)C[NH+]1CCC(C[N@H+](C)[C@@H]2CCc3ccc(F)cc32)CC1 ZINC000177710446 290084851 /nfs/dbraw/zinc/08/48/51/290084851.db2.gz CPOQQFNPUXXMQS-IFXJQAMLSA-N 2 0 320.452 2.838 20 0 DFADRP COC[C@@H](CCC[NH3+])[NH2+][C@H](C)c1cccc(OC(F)F)c1 ZINC000234751255 292805826 /nfs/dbraw/zinc/80/58/26/292805826.db2.gz BFVDGIHAESBAJN-DGCLKSJQSA-N 2 0 302.365 2.693 20 0 DFADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CC23CCOCC3)[C@@H](C)C1 ZINC000437015004 297052806 /nfs/dbraw/zinc/05/28/06/297052806.db2.gz BSTTZQULBMWCAU-BZSNNMDCSA-N 2 0 324.509 2.530 20 0 DFADRP CC[NH+](CC)CCOC1CC[NH+](C[C@H]2CCSC2)CC1 ZINC000494937074 299891155 /nfs/dbraw/zinc/89/11/55/299891155.db2.gz KWPNJJDKBYMEGI-OAHLLOKOSA-N 2 0 300.512 2.562 20 0 DFADRP CC(C)C[C@H]([NH2+]CCCC[NH+]1CCN(C)CC1)c1ccccn1 ZINC000154345326 295297546 /nfs/dbraw/zinc/29/75/46/295297546.db2.gz ZWOSWEQWXALVND-IBGZPJMESA-N 2 0 318.509 2.786 20 0 DFADRP CN1CC[NH+](CCCC[NH2+][C@@H]2CC(C)(C)Cc3occc32)CC1 ZINC000154369405 295298596 /nfs/dbraw/zinc/29/85/96/295298596.db2.gz VQPPFQYAASOUDM-QGZVFWFLSA-N 2 0 319.493 2.910 20 0 DFADRP CN1CC[NH+](CCCC[NH2+][C@H]2CCCOc3ccccc32)CC1 ZINC000154403636 295299609 /nfs/dbraw/zinc/29/96/09/295299609.db2.gz SNSDWNZIPCNZEG-SFHVURJKSA-N 2 0 317.477 2.518 20 0 DFADRP Cc1ccc([C@H](C)[NH2+]CCCC[NH+]2CCN(C)CC2)c(C)c1 ZINC000154407942 295299720 /nfs/dbraw/zinc/29/97/20/295299720.db2.gz ZUQFPQSWZXGJKG-SFHVURJKSA-N 2 0 303.494 2.982 20 0 DFADRP CC[C@@H]([NH2+]CCCC[NH+]1CCN(C)CC1)c1ccc(F)cc1 ZINC000154422937 295300034 /nfs/dbraw/zinc/30/00/34/295300034.db2.gz ABQHPENJVDSNPO-GOSISDBHSA-N 2 0 307.457 2.894 20 0 DFADRP C[C@H]([NH2+]C[C@@H]1CCC[N@H+](C)C1)c1cccc(OCC[NH+](C)C)c1 ZINC000158148391 295359328 /nfs/dbraw/zinc/35/93/28/295359328.db2.gz IKPUXRWCASOTPF-IRXDYDNUSA-N 3 0 319.493 2.619 20 0 DFADRP CCN(CC)C(=O)C[C@H](C)[NH2+]CCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000158679739 295366243 /nfs/dbraw/zinc/36/62/43/295366243.db2.gz YTJKOPXHIRFGGH-BBWFWOEESA-N 2 0 311.514 2.591 20 0 DFADRP C[NH+](C)CC1CC[NH+](CC(C)(C)NC(=O)OC(C)(C)C)CC1 ZINC000495434814 299927630 /nfs/dbraw/zinc/92/76/30/299927630.db2.gz TVQIXORMPRLTTA-UHFFFAOYSA-N 2 0 313.486 2.563 20 0 DFADRP CCC[C@@H](C(=O)NCC(C)(C)[NH2+][C@H](C)c1ccccc1)[NH+](C)C ZINC000161996776 295408690 /nfs/dbraw/zinc/40/86/90/295408690.db2.gz LKVNIRAOYMRLOZ-WBVHZDCISA-N 2 0 319.493 2.962 20 0 DFADRP CC(C)CC[C@H]([NH2+][C@@H]1CCN(C2CC[NH+](C)CC2)C1)C1CC1 ZINC000374701985 295474412 /nfs/dbraw/zinc/47/44/12/295474412.db2.gz MWGBLJRRLBNSKX-MJGOQNOKSA-N 2 0 307.526 2.959 20 0 DFADRP C[C@H](CC[NH+](C)C)[NH2+][C@@H](C)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000400755857 295498681 /nfs/dbraw/zinc/49/86/81/295498681.db2.gz WZJVFMAYXJVSAQ-QLFBSQMISA-N 2 0 313.486 2.562 20 0 DFADRP COCC[NH+](CCOC)Cc1cccc(C[NH+]2CCCCC2)c1 ZINC000411136160 295526920 /nfs/dbraw/zinc/52/69/20/295526920.db2.gz IQIITRFKUIKDTQ-UHFFFAOYSA-N 2 0 320.477 2.767 20 0 DFADRP C[C@H](CNC(=O)[C@H]1CCC[N@@H+]1C1CCCC1)[NH+]1CCC(C)CC1 ZINC000438558079 297098662 /nfs/dbraw/zinc/09/86/62/297098662.db2.gz ZYALEAJCTZIWJX-SJLPKXTDSA-N 2 0 321.509 2.630 20 0 DFADRP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)[C@H]1CCC[NH+]1C1CCCC1 ZINC000438569948 297099175 /nfs/dbraw/zinc/09/91/75/297099175.db2.gz UZGNSSXLOALYIR-SJLPKXTDSA-N 2 0 321.509 2.774 20 0 DFADRP CC(C)(CNC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1)[NH+]1CCCCC1 ZINC000438578604 297099644 /nfs/dbraw/zinc/09/96/44/297099644.db2.gz YBYUWIFYULPPEA-KRWDZBQOSA-N 2 0 321.509 2.774 20 0 DFADRP CC1(C)CC(NC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)CC(C)(C)[NH2+]1 ZINC000440156088 297146207 /nfs/dbraw/zinc/14/62/07/297146207.db2.gz NWMVHVONQUZARV-INIZCTEOSA-N 2 0 321.509 2.819 20 0 DFADRP C[NH+](C)Cc1ccc(C[NH2+]Cc2cc(C(F)(F)F)n[nH]2)cc1 ZINC000440824477 297166476 /nfs/dbraw/zinc/16/64/76/297166476.db2.gz YGZNPTMKGVCFEP-UHFFFAOYSA-N 2 0 312.339 2.780 20 0 DFADRP c1cc(CC[NH+]2CCC(C[NH+]3CCCC3)CC2)cc2c1OCC2 ZINC000441183145 297174474 /nfs/dbraw/zinc/17/44/74/297174474.db2.gz VZLIECFMYJHTTD-UHFFFAOYSA-N 2 0 314.473 2.972 20 0 DFADRP CCCc1cccc(C[NH2+]CCN2CC[N@H+](C)C(C)(C)C2)c1 ZINC000441371340 297181561 /nfs/dbraw/zinc/18/15/61/297181561.db2.gz KSVOJVBLTYATOI-UHFFFAOYSA-N 2 0 303.494 2.755 20 0 DFADRP C[C@H]1C[C@@H](C[NH3+])C[N@@H+]1CCC(=O)Nc1cccc2ccccc21 ZINC000442750741 297204296 /nfs/dbraw/zinc/20/42/96/297204296.db2.gz BKMYLKATYPWJCE-GJZGRUSLSA-N 2 0 311.429 2.838 20 0 DFADRP COc1cccc(C[N@@H+]2CCC[C@H](CC[NH3+])C2)c1OC(F)F ZINC000442923923 297211080 /nfs/dbraw/zinc/21/10/80/297211080.db2.gz RIKZMOKLPRNZNC-GFCCVEGCSA-N 2 0 314.376 2.857 20 0 DFADRP CSc1cc2c(cc1C[N@@H+]1CCC[C@@H](CC[NH3+])C1)OCCO2 ZINC000442919373 297211204 /nfs/dbraw/zinc/21/12/04/297211204.db2.gz ITSRROVITQOHKO-ZDUSSCGKSA-N 2 0 322.474 2.741 20 0 DFADRP [NH3+]CC[C@@H]1CCC[N@H+](Cc2cnc(-c3ccncc3)s2)C1 ZINC000442918248 297211331 /nfs/dbraw/zinc/21/13/31/297211331.db2.gz GKZBLRRGMXYVBE-ZDUSSCGKSA-N 2 0 302.447 2.766 20 0 DFADRP CCc1ccc(NC(=O)[C@H](C)[N@@H+]2CCC[C@H](CC[NH3+])C2)cc1 ZINC000443056536 297213567 /nfs/dbraw/zinc/21/35/67/297213567.db2.gz CWAFHYYLUJZBLR-GOEBONIOSA-N 2 0 303.450 2.637 20 0 DFADRP CCn1c2ccc(F)cc2nc1C[N@@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000443057823 297213856 /nfs/dbraw/zinc/21/38/56/297213856.db2.gz IFHQLRFIZMSJPK-ZDUSSCGKSA-N 2 0 304.413 2.756 20 0 DFADRP Cc1ccc(F)cc1NC(=O)[C@H](C)[N@@H+]1CCC[C@H](CC[NH3+])C1 ZINC000443062277 297214269 /nfs/dbraw/zinc/21/42/69/297214269.db2.gz UFVVHZMNKUIIQD-UONOGXRCSA-N 2 0 307.413 2.522 20 0 DFADRP C[C@H]1C[N@H+](C)CC[C@H]1[NH2+]CCN1CCc2c(Cl)cccc2C1 ZINC000443086846 297215653 /nfs/dbraw/zinc/21/56/53/297215653.db2.gz HRGILBRZYVPQPI-KBXCAEBGSA-N 2 0 321.896 2.628 20 0 DFADRP CCOC(=O)[C@@H](CC)[NH+]1CCC(CCC[NH+]2CCCC2)CC1 ZINC000443600269 297221994 /nfs/dbraw/zinc/22/19/94/297221994.db2.gz LSRONCCVOQXACJ-QGZVFWFLSA-N 2 0 310.482 2.916 20 0 DFADRP COC(=O)[C@H]1CCCCCC[C@H]1[NH2+]CCC[NH+]1CCCCC1 ZINC000444640396 297242757 /nfs/dbraw/zinc/24/27/57/297242757.db2.gz CUUBDCQSHJGDSK-DLBZAZTESA-N 2 0 310.482 2.964 20 0 DFADRP CCOC1CC(O)(C[NH2+]C2CC[NH+]([C@@H]3CCC[C@H](C)C3)CC2)C1 ZINC000446850382 297288726 /nfs/dbraw/zinc/28/87/26/297288726.db2.gz YPKOBHMBAXJYNL-XMZVIZOASA-N 2 0 324.509 2.549 20 0 DFADRP CCOC(=O)[C@@H]1CC[C@@H]([NH2+]CC2CC[NH+](C3CC3)CC2)C[C@H]1C ZINC000446891189 297289635 /nfs/dbraw/zinc/28/96/35/297289635.db2.gz VIGZOGZJMVRQOO-QGPMSJSTSA-N 2 0 322.493 2.818 20 0 DFADRP C[C@H]([NH2+]CCOCC[NH+](C)C)[C@H](C)c1nc2ccccc2s1 ZINC000447594094 297309975 /nfs/dbraw/zinc/30/99/75/297309975.db2.gz WWTQRXYVPHKUJW-KBPBESRZSA-N 2 0 321.490 2.956 20 0 DFADRP CC(C)(C)NC(=O)C[NH+]1CCC(C[NH2+]C2CC3(CCC3)C2)CC1 ZINC000448065351 297331099 /nfs/dbraw/zinc/33/10/99/297331099.db2.gz UNKNKTBXHKQISF-UHFFFAOYSA-N 2 0 321.509 2.535 20 0 DFADRP CC[C@H](C(=O)NC[C@H]1CCC[N@H+](CC(C)C)C1)[NH+](CC)CC ZINC000448444909 297339865 /nfs/dbraw/zinc/33/98/65/297339865.db2.gz RJDDONNMLPKLTE-IAGOWNOFSA-N 2 0 311.514 2.591 20 0 DFADRP C[C@@H]1CN(CC[C@H]2CCC[N@@H+]2C)CC[NH+](Cc2ccccc2)C1 ZINC000448552021 297342713 /nfs/dbraw/zinc/34/27/13/297342713.db2.gz JCOKINCLDFJOIS-UYAOXDASSA-N 2 0 315.505 2.925 20 0 DFADRP COc1cc(C)ccc1C[NH+]1CCC(OCC[NH+](C)C)CC1 ZINC000449032207 297394191 /nfs/dbraw/zinc/39/41/91/297394191.db2.gz YPGUMUVAYZCROU-UHFFFAOYSA-N 2 0 306.450 2.546 20 0 DFADRP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+]C[C@H]2CCCO2)CC1 ZINC000449064009 297399535 /nfs/dbraw/zinc/39/95/35/297399535.db2.gz OFOBPPJUQFTNSU-VQIMIIECSA-N 2 0 302.462 2.851 20 0 DFADRP C[C@@H](Cc1ccccc1)[NH+]1CCC([NH2+]CC2(O)CCCC2)CC1 ZINC000449141806 297412219 /nfs/dbraw/zinc/41/22/19/297412219.db2.gz MPHVIKUAYVYHTF-KRWDZBQOSA-N 2 0 316.489 2.977 20 0 DFADRP C[NH+](C)C1(CNC(=O)C[C@@H]2CCCC[C@H]2[NH3+])CCCCCC1 ZINC000449310115 297442975 /nfs/dbraw/zinc/44/29/75/297442975.db2.gz DSVRLXXSGDMRGE-JKSUJKDBSA-N 2 0 309.498 2.665 20 0 DFADRP CC1CCC([NH+]2CCN(C(=O)C[C@@H]3CCCC[C@H]3[NH3+])CC2)CC1 ZINC000449350783 297451407 /nfs/dbraw/zinc/45/14/07/297451407.db2.gz NIUHWJZTCNLOAD-JYSRZZCRSA-N 2 0 321.509 2.617 20 0 DFADRP CCC[C@H]([NH2+]Cc1ccc(N2CC[NH+](C)CC2)nc1)C1CCC1 ZINC000453083055 298060260 /nfs/dbraw/zinc/06/02/60/298060260.db2.gz MUEMLRHFTGRHHQ-SFHVURJKSA-N 2 0 316.493 2.892 20 0 DFADRP C[C@@H]1C[C@@H]([NH2+][C@H]2CCc3nc(C(C)(C)C)cn3C2)c2nccn21 ZINC000453092000 298061343 /nfs/dbraw/zinc/06/13/43/298061343.db2.gz RYLQJUDXFZOWJL-HZSPNIEDSA-N 2 0 313.449 2.988 20 0 DFADRP C[C@H](CCO)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H]2CCC[C@H]21 ZINC000453108213 298062337 /nfs/dbraw/zinc/06/23/37/298062337.db2.gz JNKAHABANTXODC-QXCFHYIPSA-N 2 0 302.462 2.790 20 0 DFADRP C[C@H]([NH2+]Cc1ccc(OCCC[NH+](C)C)cc1)c1ccncn1 ZINC000453112034 298062728 /nfs/dbraw/zinc/06/27/28/298062728.db2.gz SLRBWNOZDFXTCW-HNNXBMFYSA-N 2 0 314.433 2.658 20 0 DFADRP CC[NH+](CC)C[C@@H]1CCCC[C@H]1[NH2+][C@@H](C)Cc1cnccn1 ZINC000453142373 298066708 /nfs/dbraw/zinc/06/67/08/298066708.db2.gz ZERFHFWQNRJLJB-XYJFISCASA-N 2 0 304.482 2.898 20 0 DFADRP C[C@@H]([NH2+]CC1=CC[N@H+](C)CC1)c1cc(-c2ccccc2)nn1C ZINC000453182902 298069299 /nfs/dbraw/zinc/06/92/99/298069299.db2.gz SURLJDLRURKOQO-OAHLLOKOSA-N 2 0 310.445 3.000 20 0 DFADRP CC[C@@H](CO)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H]2CCC[C@@H]21 ZINC000453198339 298070702 /nfs/dbraw/zinc/07/07/02/298070702.db2.gz NYFIBCWOHZIYLZ-MANSERQUSA-N 2 0 302.462 2.790 20 0 DFADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]CC2(OC)CCCC2)[C@H](C)C1 ZINC000453223187 298073068 /nfs/dbraw/zinc/07/30/68/298073068.db2.gz LONLVQWUYVPHCM-SJORKVTESA-N 2 0 312.498 2.672 20 0 DFADRP c1n[nH]cc1CC[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000453251846 298075313 /nfs/dbraw/zinc/07/53/13/298075313.db2.gz MCGUPHWLPKBFGT-HSALFYBXSA-N 2 0 324.472 2.985 20 0 DFADRP CCC1(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)COC1 ZINC000453336544 298084392 /nfs/dbraw/zinc/08/43/92/298084392.db2.gz AHAQVQRQKIPRGJ-FUHWJXTLSA-N 2 0 302.462 2.913 20 0 DFADRP C[C@@H]([NH2+][C@H]1COCC1(C)C)c1cccc(OCC[NH+](C)C)c1 ZINC000453358119 298086742 /nfs/dbraw/zinc/08/67/42/298086742.db2.gz JUSYSXCDNDFUGH-PBHICJAKSA-N 2 0 306.450 2.703 20 0 DFADRP COCC(COC)[NH2+]C1CCC([N@H+](C)Cc2ccccc2)CC1 ZINC000453354917 298086781 /nfs/dbraw/zinc/08/67/81/298086781.db2.gz SDLYOXCYURENNV-UHFFFAOYSA-N 2 0 320.477 2.681 20 0 DFADRP C[C@H]([NH2+]C[C@@H]1CC[C@@H](C)O1)c1ccc(OCC[NH+](C)C)cc1 ZINC000453401794 298090412 /nfs/dbraw/zinc/09/04/12/298090412.db2.gz FCYKCPWVOBUVSK-VKJFTORMSA-N 2 0 306.450 2.845 20 0 DFADRP CCC[NH+]1CCC([NH2+][C@H](CO)Cc2ccc(C)c(C)c2)CC1 ZINC000453419628 298092817 /nfs/dbraw/zinc/09/28/17/298092817.db2.gz DCUTZFABYSPOPX-IBGZPJMESA-N 2 0 304.478 2.671 20 0 DFADRP CCC[NH+]1CCC([NH2+][C@@H](CO)Cc2ccc(C)c(C)c2)CC1 ZINC000453419631 298092829 /nfs/dbraw/zinc/09/28/29/298092829.db2.gz DCUTZFABYSPOPX-LJQANCHMSA-N 2 0 304.478 2.671 20 0 DFADRP C[C@H]1CN(Cc2ccccc2)C[C@H]1[NH2+]CCCC[N@H+](C)C1CC1 ZINC000453420626 298093144 /nfs/dbraw/zinc/09/31/44/298093144.db2.gz ZREBHUVFONWHBQ-FXAWDEMLSA-N 2 0 315.505 2.971 20 0 DFADRP Cc1ccc(C[C@H](CO)[NH2+][C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@@H]32)cc1C ZINC000453455220 298097253 /nfs/dbraw/zinc/09/72/53/298097253.db2.gz UNANXVPYBQBFOW-UAFMIMERSA-N 2 0 316.489 2.669 20 0 DFADRP Cc1cc(NC(=O)[C@@H](C2CC2)[NH+]2CCCC2)ccc1C[NH+](C)C ZINC000458274965 298897494 /nfs/dbraw/zinc/89/74/94/298897494.db2.gz XZKJVDYXUXJSMT-GOSISDBHSA-N 2 0 315.461 2.870 20 0 DFADRP COC(=O)Nc1ccc(CC[NH2+][C@H]2CCCCC[C@H]2[NH3+])cc1 ZINC000496135394 300020071 /nfs/dbraw/zinc/02/00/71/300020071.db2.gz VVVZYKXEUHHVFY-CVEARBPZSA-N 2 0 305.422 2.657 20 0 DFADRP CC[C@H]([NH2+]CCc1ccc(NC(=O)OC)cc1)[C@@H]1CCC[NH2+]1 ZINC000496315850 300045517 /nfs/dbraw/zinc/04/55/17/300045517.db2.gz WIGVBIWNNBWWAW-HOTGVXAUSA-N 2 0 305.422 2.528 20 0 DFADRP CC[C@@H]([NH2+]CCc1ccc(NC(=O)OC)cc1)[C@@H]1CCC[NH2+]1 ZINC000496315849 300045731 /nfs/dbraw/zinc/04/57/31/300045731.db2.gz WIGVBIWNNBWWAW-CVEARBPZSA-N 2 0 305.422 2.528 20 0 DFADRP C[C@H](CCCNC(=O)OC(C)(C)C)[NH2+]CCN1CC[C@H](C)C1 ZINC000496582334 300083471 /nfs/dbraw/zinc/08/34/71/300083471.db2.gz JVDRLVSEGAGZOB-LSDHHAIUSA-N 2 0 313.486 2.611 20 0 DFADRP C[NH+](C)CCC1CC[NH+](CCCNC(=O)OC(C)(C)C)CC1 ZINC000496617743 300088263 /nfs/dbraw/zinc/08/82/63/300088263.db2.gz WXFKVFRYZLIGQA-UHFFFAOYSA-N 2 0 313.486 2.565 20 0 DFADRP C[C@@H]([NH2+]C[C@@]1(C)CCC[NH2+]C1)c1cccc(N2CCOC2=O)c1 ZINC000496965692 300139602 /nfs/dbraw/zinc/13/96/02/300139602.db2.gz WXGFRXZZNHSXOR-KDOFPFPSSA-N 2 0 317.433 2.684 20 0 DFADRP C[C@H]([NH2+][C@@H](C)[C@H]1CCC[NH2+]C1)c1cccc(N2CCOC2=O)c1 ZINC000497249161 300182428 /nfs/dbraw/zinc/18/24/28/300182428.db2.gz FQTRAFXDZXXIDK-DZKIICNBSA-N 2 0 317.433 2.682 20 0 DFADRP C/C(=C/c1ccccc1)C[NH2+][C@H](C)CCN1CC[NH+](C)CC1 ZINC000500387307 300207064 /nfs/dbraw/zinc/20/70/64/300207064.db2.gz WBTXIEVJNDHWSZ-RZPKCTKSSA-N 2 0 301.478 2.706 20 0 DFADRP Cc1ccccc1[C@@H]([C@@H](C)NC(=O)[C@H](C(C)C)[NH+](C)C)[NH+](C)C ZINC000510545326 300246826 /nfs/dbraw/zinc/24/68/26/300246826.db2.gz KOJJIYVHZXPXAO-BPQIPLTHSA-N 2 0 319.493 2.689 20 0 DFADRP C[C@@H]1CN(C)C[C@@H]1[NH2+]CC[C@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000513506386 300257878 /nfs/dbraw/zinc/25/78/78/300257878.db2.gz PWRVYAWLKZOXPY-UMGGQSCQSA-N 2 0 315.505 2.827 20 0 DFADRP CN1CC[C@H]([NH2+][C@@H]2CCC[C@H]([NH3+])C2)[C@@H]1c1ccc(F)c(F)c1 ZINC000514614768 300262848 /nfs/dbraw/zinc/26/28/48/300262848.db2.gz JULHCAFRHFQNAS-RMHZUWNSSA-N 2 0 309.404 2.570 20 0 DFADRP CCOc1cc(C[NH2+][C@@H](C)C[C@@H](C)[NH3+])cc(Cl)c1OC ZINC000514937874 300280566 /nfs/dbraw/zinc/28/05/66/300280566.db2.gz ILTLEGJLPMADRO-MNOVXSKESA-N 2 0 300.830 2.963 20 0 DFADRP C/C=C/c1ccc(NC(=O)N(CC[NH+](C)C)CC[NH+](C)C)cc1 ZINC000514961045 300282018 /nfs/dbraw/zinc/28/20/18/300282018.db2.gz DCXIWKGXUIVBDB-VOTSOKGWSA-N 2 0 318.465 2.677 20 0 DFADRP C[C@@H]([NH2+]CCc1ccccc1Br)[C@@H]1CCC[NH2+]C1 ZINC000515053314 300287138 /nfs/dbraw/zinc/28/71/38/300287138.db2.gz MXUHBPQAOQQNBN-TZMCWYRMSA-N 2 0 311.267 2.969 20 0 DFADRP CC1CC[NH+](CCCC[NH2+]C[C@H](O)Cc2ccc(F)cc2)CC1 ZINC000515054657 300287510 /nfs/dbraw/zinc/28/75/10/300287510.db2.gz LDTWIJGKNYVHHT-LJQANCHMSA-N 2 0 322.468 2.831 20 0 DFADRP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@@H+]2CC1Cc2ccccc2C1 ZINC000515099665 300290100 /nfs/dbraw/zinc/29/01/00/300290100.db2.gz NROVFFAMHAFDPP-HSALFYBXSA-N 2 0 314.473 2.585 20 0 DFADRP C[C@H]1CCCC[N@@H+]1CCC1CC[NH+](CCCC(=O)N(C)C)CC1 ZINC000515177955 300293637 /nfs/dbraw/zinc/29/36/37/300293637.db2.gz BDRRIYVHRCWGIX-KRWDZBQOSA-N 2 0 323.525 2.831 20 0 DFADRP C[C@@H]1COCCN1C1CC[NH+](C[C@H]2CCCCC2(F)F)CC1 ZINC000515354953 300302265 /nfs/dbraw/zinc/30/22/65/300302265.db2.gz NVJHQJUWWWHBQN-HUUCEWRRSA-N 2 0 316.436 2.997 20 0 DFADRP CC[N@@H+]1CC[C@@H](N[C@H]2CC[NH+](Cc3ccccc3)C3(CC3)C2)C1 ZINC000516769168 300359580 /nfs/dbraw/zinc/35/95/80/300359580.db2.gz SPQSPVBMUOUCCZ-RBUKOAKNSA-N 2 0 313.489 2.867 20 0 DFADRP CC[C@@]1(C(=O)NC[C@H](c2ccc(Cl)cc2)[NH+](C)C)CCC[NH2+]1 ZINC000516774320 300360000 /nfs/dbraw/zinc/36/00/00/300360000.db2.gz MNHIVUNBFVICRC-WBVHZDCISA-N 2 0 323.868 2.591 20 0 DFADRP COc1ccc(C[C@H](C)C[NH2+][C@H](C)[C@H]2CCC[NH2+]C2)cc1OC ZINC000516861231 300364050 /nfs/dbraw/zinc/36/40/50/300364050.db2.gz CKOJNTZZFKLCLG-UXLLHSPISA-N 2 0 320.477 2.860 20 0 DFADRP CCC[NH+]1CCC(C[NH2+]C[C@@H](O)[C@H](C)c2ccccc2)CC1 ZINC000516922886 300369337 /nfs/dbraw/zinc/36/93/37/300369337.db2.gz UJKNEVSXOYJNHU-VQIMIIECSA-N 2 0 304.478 2.863 20 0 DFADRP Cn1cncc1CC[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000517010015 300376506 /nfs/dbraw/zinc/37/65/06/300376506.db2.gz XNIPPJLVIGTPIM-LDLYASANSA-N 2 0 324.472 2.748 20 0 DFADRP CCOC[C@H](O)C[NH2+]Cc1ccccc1C[N@@H+]1CCCC[C@@H]1C ZINC000517025137 300377873 /nfs/dbraw/zinc/37/78/73/300377873.db2.gz UFBYOCGABZRCPW-QFBILLFUSA-N 2 0 320.477 2.548 20 0 DFADRP CC(C)[NH2+]CCCN[C@H](c1nccn1C)c1cccc(F)c1 ZINC000517023999 300377997 /nfs/dbraw/zinc/37/79/97/300377997.db2.gz LZETUHPYGFZCOF-INIZCTEOSA-N 2 0 304.413 2.626 20 0 DFADRP COCCCOc1cc(C)ccc1C[NH2+][C@H]1CCC[C@H]([NH3+])C1 ZINC000518217613 300419871 /nfs/dbraw/zinc/41/98/71/300419871.db2.gz SRCXKROWUZWVHT-IRXDYDNUSA-N 2 0 306.450 2.770 20 0 DFADRP Cc1ccc([C@H](CNC(=O)CCCC[NH+](C)C)[NH+]2CCCC2)o1 ZINC000521287123 300522515 /nfs/dbraw/zinc/52/25/15/300522515.db2.gz LFNWFASJTROZSA-INIZCTEOSA-N 2 0 321.465 2.573 20 0 DFADRP CC[NH+]1CCN([C@@H](C)C[NH2+]Cc2ccc(C(F)F)cc2)CC1 ZINC000525980925 300615756 /nfs/dbraw/zinc/61/57/56/300615756.db2.gz RIKNFDXYQCOEMB-AWEZNQCLSA-N 2 0 311.420 2.740 20 0 DFADRP CC[C@@H]([NH2+]CCCC[NH+]1CCN(C)CC1)c1cccc(F)c1 ZINC000527099076 300637798 /nfs/dbraw/zinc/63/77/98/300637798.db2.gz CKKYNQJWMZEFLF-GOSISDBHSA-N 2 0 307.457 2.894 20 0 DFADRP C[C@H]([NH2+][C@@H](CN1CC[NH+](C)CC1)c1ccccc1)[C@H]1CC12CC2 ZINC000527860396 300702879 /nfs/dbraw/zinc/70/28/79/300702879.db2.gz VIUAHTKRURAWCL-UHOSZYNNSA-N 2 0 313.489 2.753 20 0 DFADRP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+]CC23CC(C2)CO3)CC1 ZINC000527984462 300722748 /nfs/dbraw/zinc/72/27/48/300722748.db2.gz ZJYANUBNGYZXLK-PPDQVPDSSA-N 2 0 314.473 2.851 20 0 DFADRP CCc1noc(C2CCC([NH2+][C@H]3CC[NH2+]C34CCC4)CC2)n1 ZINC000530178823 301026077 /nfs/dbraw/zinc/02/60/77/301026077.db2.gz OGXWVCNRUMBXJL-RUXDESIVSA-N 2 0 304.438 2.532 20 0 DFADRP C[C@@H]1CCC[C@@H]([NH+]2CCC(N[C@@H]3CC[NH2+]C34CCC4)CC2)C1 ZINC000530178748 301026287 /nfs/dbraw/zinc/02/62/87/301026287.db2.gz NLVSRKNJTQMPIN-KBAYOESNSA-N 2 0 305.510 2.904 20 0 DFADRP COc1cccc([C@H](C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)OC)c1 ZINC000530213101 301029375 /nfs/dbraw/zinc/02/93/75/301029375.db2.gz UZLFRHQJFIERCS-HCXYKTFWSA-N 2 0 318.461 2.893 20 0 DFADRP C[NH2+]CCC1CC[NH+](Cc2cccnc2C(F)(F)F)CC1 ZINC000530218274 301030432 /nfs/dbraw/zinc/03/04/32/301030432.db2.gz IMKJJIZBQCZJCU-UHFFFAOYSA-N 2 0 301.356 2.922 20 0 DFADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]Cc1ccc2cn(C)nc2c1 ZINC000530216689 301030458 /nfs/dbraw/zinc/03/04/58/301030458.db2.gz CEDIALKKYSFCLS-GFCCVEGCSA-N 2 0 309.417 2.586 20 0 DFADRP CCOc1cccc(C[NH+]2CCC(CO[C@@H]3CC[NH2+]C3)CC2)c1 ZINC000530248370 301033785 /nfs/dbraw/zinc/03/37/85/301033785.db2.gz KDPRYYZGGFZWEA-LJQANCHMSA-N 2 0 318.461 2.676 20 0 DFADRP C[NH+]1CCC2(CCC[N@@H+]2Cc2cccc(-n3cccn3)c2)CC1 ZINC000530464369 301049772 /nfs/dbraw/zinc/04/97/72/301049772.db2.gz KSAZJVHSWSTJPE-UHFFFAOYSA-N 2 0 310.445 2.933 20 0 DFADRP CCc1cccc(NC(=O)CN(C)[C@@H]2CC[N@@H+](CC)[C@@H](C)C2)c1 ZINC000530662796 301061791 /nfs/dbraw/zinc/06/17/91/301061791.db2.gz CBHZMYBCXMNCOU-MAUKXSAKSA-N 2 0 317.477 2.992 20 0 DFADRP CCC[N@@H+]1CC[C@H](C[NH2+][C@H](C)c2ccc3c(c2)CCC(=O)N3)C1 ZINC000531701619 301104555 /nfs/dbraw/zinc/10/45/55/301104555.db2.gz AMEZCBIBKPHRQJ-HUUCEWRRSA-N 2 0 315.461 2.954 20 0 DFADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]CCc2ccc(C)nc2)[C@@H](C)C1 ZINC000531715881 301105530 /nfs/dbraw/zinc/10/55/30/301105530.db2.gz RZCUGTWFNVEPQP-LPHOPBHVSA-N 2 0 319.493 2.659 20 0 DFADRP C[C@@H]([NH2+]CCN1CC[C@H](C)C1)c1ccc(OCC[NH+](C)C)cc1 ZINC000531728694 301106849 /nfs/dbraw/zinc/10/68/49/301106849.db2.gz FCYUWWZRZXLFBZ-DLBZAZTESA-N 2 0 319.493 2.619 20 0 DFADRP CC[N@@H+]1CC[C@@H](C[NH2+][C@@H](C)c2ccc3c(c2)CCC(=O)N3)C1 ZINC000531954932 301121011 /nfs/dbraw/zinc/12/10/11/301121011.db2.gz IKVLAAYNQNNNFF-KBPBESRZSA-N 2 0 301.434 2.564 20 0 DFADRP C[C@@H]1CC[N@H+](CCNC2CC[NH+]([C@H]3CCCC[C@@H]3C)CC2)C1 ZINC000531984233 301123223 /nfs/dbraw/zinc/12/32/23/301123223.db2.gz POAXBUUFVAYHEZ-AOIWGVFYSA-N 2 0 307.526 2.961 20 0 DFADRP CC[C@H]1CCC[C@H]1[NH2+]Cc1ccc(N2CC[NH+](CC)CC2)nc1 ZINC000532192988 301135889 /nfs/dbraw/zinc/13/58/89/301135889.db2.gz BVHGTWUDWKOGID-ZWKOTPCHSA-N 2 0 316.493 2.892 20 0 DFADRP C[C@@H]([NH2+]CC(C)(C)C[NH+](C)C)c1ccc2c(c1)CCC(=O)N2 ZINC000532442668 301152971 /nfs/dbraw/zinc/15/29/71/301152971.db2.gz GEUZUHHLBHVZTG-CYBMUJFWSA-N 2 0 303.450 2.810 20 0 DFADRP CC(C)=CC[NH+]1CCN(c2ccccc2OCC[NH+](C)C)CC1 ZINC000533394936 301199496 /nfs/dbraw/zinc/19/94/96/301199496.db2.gz AWMFLVVPJJATQU-UHFFFAOYSA-N 2 0 317.477 2.715 20 0 DFADRP CC(C)[N@H+](C)CC1CCN([C@H](C)C(=O)Nc2nccs2)CC1 ZINC000533408601 301200131 /nfs/dbraw/zinc/20/01/31/301200131.db2.gz ARLXWGGBCNCRBA-CYBMUJFWSA-N 2 0 324.494 2.522 20 0 DFADRP C[NH+]1CCN(c2cc[nH+]cc2NCc2cccc3cc[nH]c32)CC1 ZINC000533584299 301209654 /nfs/dbraw/zinc/20/96/54/301209654.db2.gz ZJPDRPWGWRRQEU-UHFFFAOYSA-N 2 0 321.428 2.927 20 0 DFADRP Cc1cc(C)c2c(c1)[C@H]([NH2+]CCOCC[NH+](C)C)CCCO2 ZINC000351504112 301212220 /nfs/dbraw/zinc/21/22/20/301212220.db2.gz UNENZRRJGFWAIS-QGZVFWFLSA-N 2 0 306.450 2.685 20 0 DFADRP CCO[C@H](C)c1nc(CN2CC[C@H](c3nccn3C)C2)cs1 ZINC000533865545 301215161 /nfs/dbraw/zinc/21/51/61/301215161.db2.gz QBBMOESODRYKGC-OLZOCXBDSA-N 2 0 320.462 2.964 20 0 DFADRP CC(C)[N@H+](C)CC1CC[NH+](Cc2cnn3ccccc23)CC1 ZINC000534347184 301230564 /nfs/dbraw/zinc/23/05/64/301230564.db2.gz SZFCDLCCJATOGM-UHFFFAOYSA-N 2 0 300.450 2.887 20 0 DFADRP CCc1ccc(C[N@H+]2CC[C@@H](N3CC[NH+](CC)CC3)C2)s1 ZINC000535837140 301263723 /nfs/dbraw/zinc/26/37/23/301263723.db2.gz JGTMZFYIIKISFU-OAHLLOKOSA-N 2 0 307.507 2.522 20 0 DFADRP COc1c(O)cccc1C[NH+]1CCC(C[N@H+](C)C(C)C)CC1 ZINC000537613036 301306526 /nfs/dbraw/zinc/30/65/26/301306526.db2.gz RODFAXZDMATNKV-UHFFFAOYSA-N 2 0 306.450 2.953 20 0 DFADRP Cc1ccc(F)c(C[N@H+]2CC[C@@H](N3CC[NH+](C(C)C)CC3)C2)c1 ZINC000538762948 301331308 /nfs/dbraw/zinc/33/13/08/301331308.db2.gz UVIDMEXHROTWTG-GOSISDBHSA-N 2 0 319.468 2.734 20 0 DFADRP C[C@H]1C[C@@H](CC[NH2+]C2CCN(C)CC2)C[N@@H+]1Cc1ccccc1 ZINC000540141403 301358411 /nfs/dbraw/zinc/35/84/11/301358411.db2.gz LLFDNOSKTCNKDL-PKOBYXMFSA-N 2 0 315.505 2.971 20 0 DFADRP C(C1CC1)[NH+]1CCC([NH2+][C@H]2CCOC3(CCSCC3)C2)CC1 ZINC000540395630 301362506 /nfs/dbraw/zinc/36/25/06/301362506.db2.gz XGLDBKIGIJOLBR-KRWDZBQOSA-N 2 0 324.534 2.895 20 0 DFADRP C(C1CC1)[NH+]1CCC([NH2+][C@@H]2CCO[C@@]3(CCSC3)C2)CC1 ZINC000540397265 301362722 /nfs/dbraw/zinc/36/27/22/301362722.db2.gz UKFFMIYDIFNGHU-SJORKVTESA-N 2 0 310.507 2.505 20 0 DFADRP C[N@@H+]1CC[C@H]2CCN(Cc3cnc(-c4ccccc4)nc3)[C@H]2C1 ZINC000540918969 301374762 /nfs/dbraw/zinc/37/47/62/301374762.db2.gz XPDNQAZPORXVRB-WMZOPIPTSA-N 2 0 308.429 2.670 20 0 DFADRP COC(=O)[C@H](C1CC1)[NH+]1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000541057460 301382174 /nfs/dbraw/zinc/38/21/74/301382174.db2.gz LTJUQQOFPPWRRE-QAPCUYQASA-N 2 0 322.493 2.915 20 0 DFADRP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+]C1(CCO)CCCCC1 ZINC000543174665 301426029 /nfs/dbraw/zinc/42/60/29/301426029.db2.gz PVZZTLALOGOBBO-UHFFFAOYSA-N 2 0 314.433 2.751 20 0 DFADRP CC1CC[NH+](C[C@@H]2CCCN(C(=O)CCCC[NH+](C)C)C2)CC1 ZINC000560601346 301907544 /nfs/dbraw/zinc/90/75/44/301907544.db2.gz AIMSRWQEEDBCMR-SFHVURJKSA-N 2 0 323.525 2.689 20 0 DFADRP C[N@H+](C[C@@H](O)CN[C@@H]1CCCOc2c(Cl)cccc21)C1CC1 ZINC000562992332 302022362 /nfs/dbraw/zinc/02/23/62/302022362.db2.gz ONYSWRSCHAQPNG-XJKSGUPXSA-N 2 0 324.852 2.598 20 0 DFADRP Cc1cccc2c1[C@H](C)C[C@@H]2[NH2+][C@H](C)CN1CC[NH+](C)CC1 ZINC000245510171 302066992 /nfs/dbraw/zinc/06/69/92/302066992.db2.gz VWXKXRYOVKFROU-NUJGCVRESA-N 2 0 301.478 2.769 20 0 DFADRP CCC[NH+](CCC)CCCC(=O)N(CC)[C@H]1CCC[NH2+]CC1 ZINC000563411310 302069097 /nfs/dbraw/zinc/06/90/97/302069097.db2.gz CNLADCDTCWVNDZ-KRWDZBQOSA-N 2 0 311.514 2.879 20 0 DFADRP [NH3+][C@H]1CCC[C@@H]([NH2+]Cc2ccc(C(=O)N3CCCCC3)cc2)C1 ZINC000563424714 302071006 /nfs/dbraw/zinc/07/10/06/302071006.db2.gz LMBAGNKOSCEUGM-ZWKOTPCHSA-N 2 0 315.461 2.672 20 0 DFADRP Cn1nccc1[C@H]1[C@H](C[NH2+][C@H]2CCC[C@@H]2CCF)CCCN1C ZINC000563465651 302075609 /nfs/dbraw/zinc/07/56/09/302075609.db2.gz XJQUHHGDJAHVKO-MUQADHOPSA-N 2 0 322.472 2.921 20 0 DFADRP C[C@H](c1ccccc1)[C@@H](O)C[NH2+]CCN(C)Cc1ccccc1 ZINC000563861117 302103930 /nfs/dbraw/zinc/10/39/30/302103930.db2.gz KCWXVNLPFANXNH-XLIONFOSSA-N 2 0 312.457 2.873 20 0 DFADRP Cc1ccc(C[NH+]2CC[C@H](C[N@H+](C)CCC(C)(C)O)C2)s1 ZINC000563889099 302106465 /nfs/dbraw/zinc/10/64/65/302106465.db2.gz GEAWEIOJTKCNCD-OAHLLOKOSA-N 2 0 310.507 2.971 20 0 DFADRP C[C@@H]([NH2+][C@@H](C)C1C[NH2+]C1)c1ccc(NC(=O)c2ccncc2)cc1 ZINC000564074306 302116573 /nfs/dbraw/zinc/11/65/73/302116573.db2.gz TULYSRMQZPATCF-KGLIPLIRSA-N 2 0 324.428 2.592 20 0 DFADRP CC[N@H+](CCC1CC[NH+](CCCC(=O)NC)CC1)CC(C)C ZINC000564095948 302118753 /nfs/dbraw/zinc/11/87/53/302118753.db2.gz BMWMZBKFRTYBLT-UHFFFAOYSA-N 2 0 311.514 2.593 20 0 DFADRP Cc1ncc(C[NH2+]Cc2ccccc2C[N@@H+](C)C(C)C)n1C ZINC000564353031 302131300 /nfs/dbraw/zinc/13/13/00/302131300.db2.gz YWHKWJWVGYAIJJ-UHFFFAOYSA-N 2 0 300.450 2.859 20 0 DFADRP C[C@@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]CCc1ccc2c(c1)OCO2 ZINC000564649694 302147098 /nfs/dbraw/zinc/14/70/98/302147098.db2.gz NWJVKVISIDRDCE-RHSMWYFYSA-N 2 0 312.413 2.506 20 0 DFADRP Cc1c([C@H](C)[NH2+]CC[C@@H]2CC[NH2+]C2)nnn1-c1ccc(C)cc1 ZINC000564821889 302161288 /nfs/dbraw/zinc/16/12/88/302161288.db2.gz ABIZQJDFENBSSI-HOCLYGCPSA-N 2 0 313.449 2.534 20 0 DFADRP C[C@@H](CC[NH+](C)C)[NH2+]C[C@H](O)Cc1ccccc1C(F)(F)F ZINC000564855755 302165209 /nfs/dbraw/zinc/16/52/09/302165209.db2.gz HGAKGZHMQWAIQS-GXTWGEPZSA-N 2 0 318.383 2.539 20 0 DFADRP CC[N@@H+]1CCCC[C@H]1C(=O)NC[C@H]([NH3+])c1ccc(C(C)C)cc1 ZINC000564941151 302175956 /nfs/dbraw/zinc/17/59/56/302175956.db2.gz ALTGAYDKZANBQW-ROUUACIJSA-N 2 0 317.477 2.800 20 0 DFADRP C[N@@H+]1CCCC[C@H]1CCC(=O)N[C@H](CCC[NH3+])c1ccccc1 ZINC000564956827 302176839 /nfs/dbraw/zinc/17/68/39/302176839.db2.gz WEBVWTJYXMCCRA-ZWKOTPCHSA-N 2 0 317.477 2.847 20 0 DFADRP Cc1nn(-c2ccc(F)cc2)c(C)c1C[NH2+][C@H](C)C[C@H](C)[NH3+] ZINC000564973744 302178453 /nfs/dbraw/zinc/17/84/53/302178453.db2.gz QRFLTVVCYHXPTR-NWDGAFQWSA-N 2 0 304.413 2.844 20 0 DFADRP CC[NH+](CC)Cc1cccc(C[NH2+]Cc2cnc(C)n2C)c1 ZINC000565242597 302212510 /nfs/dbraw/zinc/21/25/10/302212510.db2.gz PVCNTZNCKUUXTK-UHFFFAOYSA-N 2 0 300.450 2.860 20 0 DFADRP C[C@H]1CC2(C[N@@H+]1Cc1nc(C3CCCC3)no1)CC[NH2+]CC2 ZINC000565651913 302235082 /nfs/dbraw/zinc/23/50/82/302235082.db2.gz VHWRSHPFUBTLFX-ZDUSSCGKSA-N 2 0 304.438 2.691 20 0 DFADRP C[C@H]([NH2+]C[C@@H](c1ccc(Cl)cc1)N(C)C)[C@H]1CCC[NH2+]C1 ZINC000566089478 302258332 /nfs/dbraw/zinc/25/83/32/302258332.db2.gz BBSLXHBMROAYCR-QRTARXTBSA-N 2 0 309.885 2.920 20 0 DFADRP CCOC(=O)C1([C@H](C)[NH2+][C@@H](C)Cc2ccsc2)CC[NH2+]CC1 ZINC000566089150 302258585 /nfs/dbraw/zinc/25/85/85/302258585.db2.gz AHQNQOOHPQONPF-KBPBESRZSA-N 2 0 324.490 2.590 20 0 DFADRP C[C@H](C[NH2+]CCC(=O)Nc1ccc(Cl)cc1)C[NH+]1CCCC1 ZINC000566107637 302260020 /nfs/dbraw/zinc/26/00/20/302260020.db2.gz OVXOTQUUZZRBQX-CQSZACIVSA-N 2 0 323.868 2.990 20 0 DFADRP c1cc2c(cc1C[NH+]1CCC(OCC3CC3)CC1)C[NH2+]CC2 ZINC000566351890 302281541 /nfs/dbraw/zinc/28/15/41/302281541.db2.gz JNSOZNYCYLXUMN-UHFFFAOYSA-N 2 0 300.446 2.723 20 0 DFADRP Cc1ccc([C@@H](C[NH2+]C[C@H](O)COC(C)C)N2CCCC2)cc1 ZINC000566733517 302307772 /nfs/dbraw/zinc/30/77/72/302307772.db2.gz VIYJMOWRIOGQBB-RBUKOAKNSA-N 2 0 320.477 2.507 20 0 DFADRP COc1cc2c(cc1CNCC1([NH3+])CCCCC1)O[C@@H](C)C2 ZINC000567141944 302339547 /nfs/dbraw/zinc/33/95/47/302339547.db2.gz KOYGITGDSOXJRI-ZDUSSCGKSA-N 2 0 304.434 2.770 20 0 DFADRP CCC[N@@H+]1CC[C@@H](C[NH2+]CCC(=O)Nc2cccc(Cl)c2)C1 ZINC000567378218 302355146 /nfs/dbraw/zinc/35/51/46/302355146.db2.gz TVIODIZEEYVWEX-AWEZNQCLSA-N 2 0 323.868 2.990 20 0 DFADRP C[C@H]([NH2+]C[C@H]1CCCN(c2ccccc2)C1)[C@H]1CCC[NH2+]C1 ZINC000567639987 302375270 /nfs/dbraw/zinc/37/52/70/302375270.db2.gz UALRPBPGIXNUEM-KSZLIROESA-N 2 0 301.478 2.881 20 0 DFADRP C[C@@H]([NH2+][C@@H](C)c1ccc(NC(=O)C2CC2)cc1)[C@@H]1CC[NH2+]C1 ZINC000567641507 302376084 /nfs/dbraw/zinc/37/60/84/302376084.db2.gz FNGCPELJENPYGO-WOSRLPQWSA-N 2 0 301.434 2.684 20 0 DFADRP O[C@@H](C[NH2+]Cc1cccc(C[NH+]2CCCC2)c1)Cc1ccccc1 ZINC000567677411 302378757 /nfs/dbraw/zinc/37/87/57/302378757.db2.gz VIZIGUOJJRRAEY-OAQYLSRUSA-N 2 0 324.468 2.976 20 0 DFADRP CCc1ccc(C(C)(C)C[NH2+]C[C@H](O)CN(C)C2CC2)cc1 ZINC000567725966 302384629 /nfs/dbraw/zinc/38/46/29/302384629.db2.gz RVPMMFKZJITLCH-SFHVURJKSA-N 2 0 304.478 2.571 20 0 DFADRP C[NH+](C)CCOc1ccccc1N1CC[NH+](CC2(C)CC2)CC1 ZINC000572986084 302687638 /nfs/dbraw/zinc/68/76/38/302687638.db2.gz GPSXOJONPKJOEM-UHFFFAOYSA-N 2 0 317.477 2.549 20 0 DFADRP CN1CC[NH+](CCCC[NH2+][C@@H]2CS[C@@H](C(C)(C)C)C2)CC1 ZINC000573776929 302722303 /nfs/dbraw/zinc/72/23/03/302722303.db2.gz CQMFDTDVFNVAPY-JKSUJKDBSA-N 2 0 313.555 2.524 20 0 DFADRP C[C@H]([NH2+]C[C@@H]1CCN(c2ccc(F)cc2)C1)[C@@H]1CCC[NH2+]C1 ZINC000573792993 302723556 /nfs/dbraw/zinc/72/35/56/302723556.db2.gz CRFKLUOEWKIQLB-HRCADAONSA-N 2 0 305.441 2.630 20 0 DFADRP C[C@@H]([NH2+]C[C@]1(C)CCC[NH2+]C1)c1ccc2c(c1)CCC(=O)N2 ZINC000573953182 302732633 /nfs/dbraw/zinc/73/26/33/302732633.db2.gz OEZJIEZNUYZWBR-FZKQIMNGSA-N 2 0 301.434 2.612 20 0 DFADRP CC[C@H](C[C@@H](C)CC)[NH2+]CC(=O)NCC[NH+]1CCCCCC1 ZINC000574215040 302747213 /nfs/dbraw/zinc/74/72/13/302747213.db2.gz VTUYJSWKSCABDL-DLBZAZTESA-N 2 0 311.514 2.783 20 0 DFADRP O=C(NCCCCC[NH+]1CCCCC1)[C@@H]1C[C@H]2CCCC[C@H]2[NH2+]1 ZINC000246551305 303765511 /nfs/dbraw/zinc/76/55/11/303765511.db2.gz TVQLYFJRKLEXFU-KURKYZTESA-N 2 0 321.509 2.680 20 0 DFADRP CN(CC[N@H+](C)Cc1ccc2c(c1)CCC2)C1CC[NH+](C)CC1 ZINC000180958561 316047444 /nfs/dbraw/zinc/04/74/44/316047444.db2.gz QSKOGDJTPDUMMY-UHFFFAOYSA-N 2 0 315.505 2.633 20 0 DFADRP C[C@@H](CCNC(=O)[C@H](C)[NH+]1CCCCCC1)[NH+]1CCCCC1 ZINC000182224276 316091165 /nfs/dbraw/zinc/09/11/65/316091165.db2.gz GVQJBTSHOKOWFW-IRXDYDNUSA-N 2 0 309.498 2.632 20 0 DFADRP CC[NH+]1CCN([C@H](C)C[NH2+][C@@H]2CCCc3cc(F)ccc32)CC1 ZINC000182428438 316101774 /nfs/dbraw/zinc/10/17/74/316101774.db2.gz IYOSBBIHOQXPCE-DNVCBOLYSA-N 2 0 319.468 2.819 20 0 DFADRP CC[C@@H]1CCC[C@H](C[NH+]2CCC(C(=O)NCC[NH+](C)C)CC2)C1 ZINC000183021853 316127252 /nfs/dbraw/zinc/12/72/52/316127252.db2.gz XLDBMEDLNSYSQZ-SJORKVTESA-N 2 0 323.525 2.593 20 0 DFADRP CC[NH+]1CCN([C@H](C)C[NH2+][C@@H](C)c2cccc(F)c2F)CC1 ZINC000183223280 316134035 /nfs/dbraw/zinc/13/40/35/316134035.db2.gz FYICFQPQNILLRS-KGLIPLIRSA-N 2 0 311.420 2.641 20 0 DFADRP Cc1nccn1CCCCN[C@H](C(=O)OC(C)(C)C)C(C)C ZINC000184317928 316164588 /nfs/dbraw/zinc/16/45/88/316164588.db2.gz COHMJIZXRSOHOX-HNNXBMFYSA-N 2 0 309.454 2.928 20 0 DFADRP CCOC(=O)CCCC[NH2+][C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185709970 316191165 /nfs/dbraw/zinc/19/11/65/316191165.db2.gz SMIHGHZGYSKGHJ-JKSUJKDBSA-N 2 0 310.482 2.962 20 0 DFADRP COC[C@H](C)C[NH2+]Cc1ccc(C[NH+]2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000187644764 316212992 /nfs/dbraw/zinc/21/29/92/316212992.db2.gz OKMJRCOERNSHIJ-BRWVUGGUSA-N 2 0 320.477 2.668 20 0 DFADRP CC[N@H+](Cc1ccc(C(=O)N2C[C@H](C)[NH2+][C@@H](C)C2)cc1)C(C)C ZINC000246675205 316224885 /nfs/dbraw/zinc/22/48/85/316224885.db2.gz FWZHYCZCEZWQAJ-HOTGVXAUSA-N 2 0 317.477 2.739 20 0 DFADRP C[C@H](C[NH2+][C@H]1CC[C@@H](c2ccccc2)C1)N1CC[NH+](C)CC1 ZINC000275598410 316232494 /nfs/dbraw/zinc/23/24/94/316232494.db2.gz PNXQLCSZYCJZTA-QRQLOZEOSA-N 2 0 301.478 2.548 20 0 DFADRP Cc1cc(C)c([C@H](C)[NH+]2CCN([C@H]3CC[NH2+]C3)CC2)c(C)c1 ZINC000319119805 316250588 /nfs/dbraw/zinc/25/05/88/316250588.db2.gz UOAABROFKIGCDL-ROUUACIJSA-N 2 0 301.478 2.652 20 0 DFADRP Cc1ccc([C@H](C)[NH2+]CCC[N@@H+]2CCC[C@@H](C(N)=O)C2)c(C)c1 ZINC000346104208 316317991 /nfs/dbraw/zinc/31/79/91/316317991.db2.gz QJBZLNYGZYMPEQ-DLBZAZTESA-N 2 0 317.477 2.541 20 0 DFADRP Cn1cc(-c2cccc(C[NH+]3CCC(C[NH+](C)C)CC3)c2)cn1 ZINC000360071959 316577240 /nfs/dbraw/zinc/57/72/40/316577240.db2.gz AAPRNQUKESSMCR-UHFFFAOYSA-N 2 0 312.461 2.861 20 0 DFADRP CCc1ccc(CN2CC[NH+](C[C@H]3CC[NH2+][C@@H](C)C3)CC2)s1 ZINC000414703163 316636748 /nfs/dbraw/zinc/63/67/48/316636748.db2.gz XWHRGGGNKCJXSB-HOTGVXAUSA-N 2 0 321.534 2.816 20 0 DFADRP CC(C)c1ncc(C[NH+]2CCC([C@@H]3OCC[C@H]3[NH3+])CC2)s1 ZINC000414775874 316650787 /nfs/dbraw/zinc/65/07/87/316650787.db2.gz CLEYOCPQKSKHMQ-CABCVRRESA-N 2 0 309.479 2.595 20 0 DFADRP CC(C)C[C@H](C[NH2+]CCCN1CC[NH2+]CC1)c1ccccc1 ZINC000414786619 316656231 /nfs/dbraw/zinc/65/62/31/316656231.db2.gz XKLUPNLFGUTEJS-LJQANCHMSA-N 2 0 303.494 2.701 20 0 DFADRP CCOc1cc(C[NH2+][C@@H]2CCC[C@H]2C[NH3+])ccc1OC(F)F ZINC000414788639 316657146 /nfs/dbraw/zinc/65/71/46/316657146.db2.gz DROLWSMRUBNGGO-QWHCGFSZSA-N 2 0 314.376 2.904 20 0 DFADRP COc1ccc(C[NH2+][C@H]2CCC[C@H]2C[NH3+])cc1OCC(C)C ZINC000414794757 316660158 /nfs/dbraw/zinc/66/01/58/316660158.db2.gz MCTSXQBCVCRDFE-HOTGVXAUSA-N 2 0 306.450 2.947 20 0 DFADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccc(OC[C@H]2CCCO2)cc1 ZINC000414800859 316662620 /nfs/dbraw/zinc/66/26/20/316662620.db2.gz LMWSVINIJDFEPM-UHOSZYNNSA-N 2 0 318.461 2.852 20 0 DFADRP COC(=O)c1ccc(Cl)c(C[NH2+][C@H]2CCCC[C@@H]2C[NH3+])c1 ZINC000414803273 316663702 /nfs/dbraw/zinc/66/37/02/316663702.db2.gz NNYVWFFYALCPAZ-DOMZBBRYSA-N 2 0 310.825 2.734 20 0 DFADRP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1NC(=O)[C@H]1CCC[C@@H]([NH3+])C1 ZINC000430774161 316855097 /nfs/dbraw/zinc/85/50/97/316855097.db2.gz ZFWVUPMBMCPTCF-NXOAAHMSSA-N 2 0 309.498 2.521 20 0 DFADRP CC(C)CC(CC(C)C)NC(=O)CCC[NH+]1CCC([NH3+])CC1 ZINC000433114686 316877765 /nfs/dbraw/zinc/87/77/65/316877765.db2.gz GWNZKPDRZQPCGS-UHFFFAOYSA-N 2 0 311.514 2.767 20 0 DFADRP CC(C)(C)[C@H]1CCCN(C(=O)CCC[NH+]2CCC([NH3+])CC2)CC1 ZINC000433143173 316880979 /nfs/dbraw/zinc/88/09/79/316880979.db2.gz XRLYPCMZCDNYGK-INIZCTEOSA-N 2 0 323.525 2.865 20 0 DFADRP CC[NH+]1CCN(c2ccc(C[NH2+]C3CC(C)(C)C3)cn2)CC1 ZINC000433149733 316882350 /nfs/dbraw/zinc/88/23/50/316882350.db2.gz JZLSKGMYOWZNKW-UHFFFAOYSA-N 2 0 302.466 2.502 20 0 DFADRP CC(C)c1ccc(NC(=O)CCC[NH+]2CCC([NH3+])CC2)cc1 ZINC000433162829 316883914 /nfs/dbraw/zinc/88/39/14/316883914.db2.gz WASHSAYTYMDHHO-UHFFFAOYSA-N 2 0 303.450 2.952 20 0 DFADRP CC(C)(C)[C@H]1CCCC[C@H]1NC(=O)CCC[NH+]1CCC([NH3+])CC1 ZINC000433160069 316884127 /nfs/dbraw/zinc/88/41/27/316884127.db2.gz GHDOZYISNXGWMM-DLBZAZTESA-N 2 0 323.525 2.911 20 0 DFADRP CC[NH+]1CCN([C@@H]2CC[N@H+](C[C@H]3CCCCC3(F)F)C2)CC1 ZINC000450392947 317088551 /nfs/dbraw/zinc/08/85/51/317088551.db2.gz PGWFRSBWCMJTGI-HZPDHXFCSA-N 2 0 315.452 2.524 20 0 DFADRP C[C@H](c1ccccc1)[C@H](O)C[N@@H+]1CC[C@H](Oc2ccncc2)C1 ZINC000450503447 317100653 /nfs/dbraw/zinc/10/06/53/317100653.db2.gz XPILOZQZZISAEN-AYOQOUSVSA-N 2 0 312.413 2.699 20 0 DFADRP CC[N@H+](C)CCN[C@@H]1CC[NH+](Cc2ccccc2)[C@H]2CCC[C@H]21 ZINC000453081188 317160438 /nfs/dbraw/zinc/16/04/38/317160438.db2.gz PKKJOVCVBUJUOF-ZCNNSNEGSA-N 2 0 315.505 2.971 20 0 DFADRP C[C@@H](NC[C@H]1CC[N@H+](CCc2ccccc2)C1)c1ccncn1 ZINC000453103444 317162934 /nfs/dbraw/zinc/16/29/34/317162934.db2.gz CHLQDLRHUUSPDZ-SJLPKXTDSA-N 2 0 310.445 2.692 20 0 DFADRP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC1=CCOCC1 ZINC000453287319 317176265 /nfs/dbraw/zinc/17/62/65/317176265.db2.gz KVGKVHINRPQYDX-QFBILLFUSA-N 2 0 300.446 2.833 20 0 DFADRP COc1ncc(C[NH2+][C@@H]2CC[N@H+](C)[C@H]3CCC[C@@H]32)cc1Cl ZINC000453292278 317176961 /nfs/dbraw/zinc/17/69/61/317176961.db2.gz NIWJSRUCJWWECU-YUELXQCFSA-N 2 0 309.841 2.706 20 0 DFADRP C[C@H]([NH2+]CCCC[N@H+](C)C1CC1)c1ccc2c(c1)OCC(=O)N2 ZINC000453405230 317183900 /nfs/dbraw/zinc/18/39/00/317183900.db2.gz QCSXUJUCPDYCIB-ZDUSSCGKSA-N 2 0 317.433 2.543 20 0 DFADRP COc1ccc(C[NH2+]CCCC[N@H+](C)C2CC2)c(C)c1OC ZINC000453596606 317192498 /nfs/dbraw/zinc/19/24/98/317192498.db2.gz LYODNRNGHKVHJN-UHFFFAOYSA-N 2 0 306.450 2.976 20 0 DFADRP Cn1cncc1CC[NH2+]C1(c2ccc(Cl)cc2)CCOCC1 ZINC000459367494 317322847 /nfs/dbraw/zinc/32/28/47/317322847.db2.gz MFSKBMYPRXNEOL-UHFFFAOYSA-N 2 0 319.836 2.912 20 0 DFADRP CC1(C)CCCN(CC[NH2+]C2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000459512446 317328061 /nfs/dbraw/zinc/32/80/61/317328061.db2.gz JSEOLXDHRVNAEX-UHFFFAOYSA-N 3 0 316.493 2.762 20 0 DFADRP C[C@H]1C[C@@H]1C[NH2+]CCCC[NH+]1CCN(Cc2ccccc2)CC1 ZINC000488410078 317389895 /nfs/dbraw/zinc/38/98/95/317389895.db2.gz HZRMTQCSOFETTP-AZUAARDMSA-N 2 0 315.505 2.830 20 0 DFADRP C[NH+](C)C1(CNC(=O)C2CC[NH+](C3CC3)CC2)CCCCCC1 ZINC000491336354 317565975 /nfs/dbraw/zinc/56/59/75/317565975.db2.gz VBEMWCPAUVKKRS-UHFFFAOYSA-N 2 0 321.509 2.632 20 0 DFADRP COc1ccc(C[NH+]2CCC(C[NH2+]CC3(F)CC3)CC2)cc1 ZINC000526979522 317739323 /nfs/dbraw/zinc/73/93/23/317739323.db2.gz PBVJEHJNYXZPSN-UHFFFAOYSA-N 2 0 306.425 2.999 20 0 DFADRP C[C@H](c1cccc(F)c1)[NH+]1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000530242518 317778412 /nfs/dbraw/zinc/77/84/12/317778412.db2.gz UKVFNZVAEBNKHP-KDOFPFPSSA-N 2 0 306.425 2.977 20 0 DFADRP CC[NH+]1CCN(c2cccc(N[C@H]3CCC[C@H]([NH3+])C3)c2)CC1 ZINC000566481244 317951982 /nfs/dbraw/zinc/95/19/82/317951982.db2.gz GJLOJPJSHUTHRF-HOTGVXAUSA-N 2 0 302.466 2.510 20 0 DFADRP CC[NH+]1CCN(c2ccccc2N[C@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000571657025 317988872 /nfs/dbraw/zinc/98/88/72/317988872.db2.gz IKTABDCVLRBGQP-CVEARBPZSA-N 2 0 302.466 2.510 20 0 DFADRP CC[NH2+]CCCN[C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000574629751 318028864 /nfs/dbraw/zinc/02/88/64/318028864.db2.gz QZNMPCJDMIAVMY-HSALFYBXSA-N 3 0 315.505 2.876 20 0 DFADRP CC[NH+]1CCC(C[NH2+][C@@H](C)c2cccc(-n3ccnn3)c2)CC1 ZINC000574662436 318032228 /nfs/dbraw/zinc/03/22/28/318032228.db2.gz RHZILVQMXGRAHO-HNNXBMFYSA-N 2 0 313.449 2.650 20 0 DFADRP C[C@@H]([NH2+]Cc1nnc(C2CC[NH2+]CC2)[nH]1)[C@@H](C)C1CCCCC1 ZINC000574803641 318041118 /nfs/dbraw/zinc/04/11/18/318041118.db2.gz OTIPQQUIKNUCSO-ZIAGYGMSSA-N 2 0 319.497 2.966 20 0 DFADRP CCc1nccn1[C@H]1CCC[N@H+](Cc2ccc3c(c2)C[NH2+]CC3)C1 ZINC000575755536 318081438 /nfs/dbraw/zinc/08/14/38/318081438.db2.gz SHLAQFBUVHXMOB-IBGZPJMESA-N 2 0 324.472 2.928 20 0 DFADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+]Cc1ccnn1-c1ccc(F)cc1 ZINC000576010211 318098373 /nfs/dbraw/zinc/09/83/73/318098373.db2.gz USUVZLWHIUUABH-GYABFAJESA-N 2 0 314.408 2.617 20 0 DFADRP CC(C)C[N@@H+]1CC[C@@H](C[NH2+]C[C@@H](O)Cc2cccc(Cl)c2)C1 ZINC000576030480 318099194 /nfs/dbraw/zinc/09/91/94/318099194.db2.gz YIQZPNYMZZNBML-WMZOPIPTSA-N 2 0 324.896 2.811 20 0 DFADRP Fc1ccc([C@H]([NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)c2ncc[nH]2)cc1 ZINC000576976968 318163187 /nfs/dbraw/zinc/16/31/87/318163187.db2.gz WPYZZIVANCZOOV-DIECFANBSA-N 2 0 314.408 2.616 20 0 DFADRP CCc1ccc([C@H](CN[C@H](C)[C@@H]2CCC[NH2+]C2)[NH+](C)C)cc1 ZINC000577363132 318187928 /nfs/dbraw/zinc/18/79/28/318187928.db2.gz YJHOKZXJVGGLBJ-LZQZEXGQSA-N 2 0 303.494 2.829 20 0 DFADRP Cn1cc(C[NH+]2CCC(CC[NH3+])CC2)c(-c2cccs2)n1 ZINC000577399099 318190674 /nfs/dbraw/zinc/19/06/74/318190674.db2.gz FJEDZBQWESWYDG-UHFFFAOYSA-N 2 0 304.463 2.709 20 0 DFADRP C[NH+](C)Cc1ccc(C[NH2+]C[C@H](O)C2CCCCC2)cc1F ZINC000577484472 318195937 /nfs/dbraw/zinc/19/59/37/318195937.db2.gz ISWVIEXRWWSVPE-SFHVURJKSA-N 2 0 308.441 2.918 20 0 DFADRP C[C@@H]1[NH2+]CC[C@H]1C(=O)Nc1ccc(C[N@@H+]2CCCC[C@H]2C)cc1 ZINC000577509345 318198029 /nfs/dbraw/zinc/19/80/29/318198029.db2.gz WDQVHNGUXUUOFG-RVKKMQEKSA-N 2 0 315.461 2.998 20 0 DFADRP C[C@H]([NH3+])C[C@H](C)NC(=O)NCC1([NH+]2CCCCC2)CCCCC1 ZINC000577509801 318198413 /nfs/dbraw/zinc/19/84/13/318198413.db2.gz BWJMYWPLQSPNQZ-HOTGVXAUSA-N 2 0 324.513 2.600 20 0 DFADRP C[C@H](C[C@H](C)[NH3+])NC(=O)NCC1([NH+]2CCCCC2)CCCCC1 ZINC000577509803 318198617 /nfs/dbraw/zinc/19/86/17/318198617.db2.gz BWJMYWPLQSPNQZ-JKSUJKDBSA-N 2 0 324.513 2.600 20 0 DFADRP Cc1cccc(C)c1OC[C@@H](O)C[NH2+][C@@H](C)C(C)(C)C[NH+](C)C ZINC000577622810 318206197 /nfs/dbraw/zinc/20/61/97/318206197.db2.gz SEOISXARUUCZCK-IRXDYDNUSA-N 2 0 322.493 2.609 20 0 DFADRP C[C@@H](C[NH+](C)C)N[C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000577869540 318223349 /nfs/dbraw/zinc/22/33/49/318223349.db2.gz OVJBCBNIITZJHC-FUHWJXTLSA-N 2 0 301.478 2.723 20 0 DFADRP C[C@@H]1[C@@H]([NH2+]C[C@H]2CCC[N@H+](C)C2)CCCN1Cc1ccccc1 ZINC000577873242 318223733 /nfs/dbraw/zinc/22/37/33/318223733.db2.gz UTKBFSPLTBOTIJ-RLLQIKCJSA-N 2 0 315.505 2.971 20 0 DFADRP CCc1cccc(C[NH2+]Cc2ccncc2OCC[NH+](C)C)c1 ZINC000577877750 318224188 /nfs/dbraw/zinc/22/41/88/318224188.db2.gz PGKGQYSHCMHTEH-UHFFFAOYSA-N 2 0 313.445 2.874 20 0 DFADRP COc1cncc(/C=C/CC[N@@H+]2CCC[C@H]([NH+](C)C)CC2)c1 ZINC000577949964 318227944 /nfs/dbraw/zinc/22/79/44/318227944.db2.gz MMDLQOAOYOFDSY-PFWMLDTASA-N 2 0 303.450 2.910 20 0 DFADRP [NH3+]C[C@H]1CC[C@H](C[NH2+]Cc2cc(-n3ccnc3)cs2)CC1 ZINC000578486194 318263828 /nfs/dbraw/zinc/26/38/28/318263828.db2.gz YCAKQMGWGYZBIT-HDJSIYSDSA-N 2 0 304.463 2.789 20 0 DFADRP C[C@@H](NC(=O)CCCC[NH+](C)C)[C@@H](c1ccccc1)[NH+](C)C ZINC000578568993 318270088 /nfs/dbraw/zinc/27/00/88/318270088.db2.gz FOMKHHTYOBGXGG-QAPCUYQASA-N 2 0 305.466 2.526 20 0 DFADRP C[C@H]([NH2+][C@H](c1ccc2c(c1)OCCO2)C1CC1)[C@H]1CCC[NH2+]C1 ZINC000578638325 318274695 /nfs/dbraw/zinc/27/46/95/318274695.db2.gz VOSPCZCRCCISKN-AXHNFQJDSA-N 2 0 316.445 2.887 20 0 DFADRP CC[C@@H](C[NH2+]Cc1nc(C)c(C)[nH]1)N1CCc2ccccc2C1 ZINC000578643866 318275486 /nfs/dbraw/zinc/27/54/86/318275486.db2.gz FJSAQLJZYIJUHP-SFHVURJKSA-N 2 0 312.461 2.953 20 0 DFADRP C[NH2+][C@@H](C)C(=O)Nc1cccc(CC[NH+]2CCC(C)CC2)c1 ZINC000578642903 318275614 /nfs/dbraw/zinc/27/56/14/318275614.db2.gz GFQULWZNYCACRG-HNNXBMFYSA-N 2 0 303.450 2.507 20 0 DFADRP C[C@@H]1C[C@H]([NH3+])CC[N@@H+]1CCc1nc(-c2cccc(Cl)c2)no1 ZINC000578663680 318276946 /nfs/dbraw/zinc/27/69/46/318276946.db2.gz JHRHFVJVGHDDMN-BXUZGUMPSA-N 2 0 320.824 2.744 20 0 DFADRP Cc1cc(C)c(NC(=O)N2CCC3(CC[NH2+]C3)CC2)c(C)n1 ZINC000578727360 318280334 /nfs/dbraw/zinc/28/03/34/318280334.db2.gz FHUROIYGBKVXIT-UHFFFAOYSA-N 2 0 302.422 2.614 20 0 DFADRP C[C@H]1CC[NH2+]CC[C@H]1[NH2+]Cc1cccc(NC(=O)C2CCC2)c1 ZINC000578756756 318283376 /nfs/dbraw/zinc/28/33/76/318283376.db2.gz LQYYZNKXSLUYTR-KBXCAEBGSA-N 2 0 315.461 2.903 20 0 DFADRP C[C@H]1CC[N@H+](CC(=O)Nc2cccc(C[NH+]3CCCCC3)c2)C1 ZINC000578780820 318285460 /nfs/dbraw/zinc/28/54/60/318285460.db2.gz LYCKNYOJOHGAKV-INIZCTEOSA-N 2 0 315.461 2.953 20 0 DFADRP [NH3+]C[C@H](N[C@H]1CC[NH2+][C@@H](c2ccccc2)C1)C1CCCCC1 ZINC000578858302 318290436 /nfs/dbraw/zinc/29/04/36/318290436.db2.gz IABLDBMDVVYPKV-OTWHNJEPSA-N 2 0 301.478 2.977 20 0 DFADRP COc1ccc(Cl)cc1N1CC[C@H]([NH2+][C@@H]2CCC[C@H]([NH3+])C2)C1 ZINC000579258654 318318987 /nfs/dbraw/zinc/31/89/87/318318987.db2.gz VFVGKIRFKWFAGQ-ZNMIVQPWSA-N 2 0 323.868 2.787 20 0 DFADRP C[C@@H]([NH2+]CCOc1ccc(F)c(Cl)c1)[C@@H]1CCC[NH2+]C1 ZINC000579342065 318323675 /nfs/dbraw/zinc/32/36/75/318323675.db2.gz TTZRJIGCLQFYMH-VXGBXAGGSA-N 2 0 300.805 2.836 20 0 DFADRP CC(C)[N@H+](CC[C@@H]1CC[NH2+]C1)Cc1nc2ccccc2c(=O)[nH]1 ZINC000579455170 318331250 /nfs/dbraw/zinc/33/12/50/318331250.db2.gz XKTYZSZMOKIEMV-AWEZNQCLSA-N 2 0 314.433 2.545 20 0 DFADRP [NH3+][C@@H]1CCC[C@H]([NH2+]CCN2CCc3c(Cl)cccc3C2)C1 ZINC000579495162 318335664 /nfs/dbraw/zinc/33/56/64/318335664.db2.gz PHBPLOYWTPUQGR-CABCVRRESA-N 2 0 307.869 2.558 20 0 DFADRP O[C@@H]1CC[N@H+](Cc2ccccc2C[NH2+][C@@H]2CCCC23CC3)C1 ZINC000579733021 318351762 /nfs/dbraw/zinc/35/17/62/318351762.db2.gz HELZCHWWDZAYBD-QZTJIDSGSA-N 2 0 300.446 2.676 20 0 DFADRP CC[NH+]1CCC(C[NH2+][C@@H](C)c2ccc(-n3cncn3)cc2)CC1 ZINC000580266085 318386302 /nfs/dbraw/zinc/38/63/02/318386302.db2.gz ARWPITMCYWTPCK-HNNXBMFYSA-N 2 0 313.449 2.650 20 0 DFADRP Cc1c[nH+]ccc1NCc1ccccc1C[N@@H+]1CCC[C@H]1CO ZINC000192757913 323247491 /nfs/dbraw/zinc/24/74/91/323247491.db2.gz FDSWLRWRBIRYBE-SFHVURJKSA-N 2 0 311.429 2.959 20 0 DFADRP CSC1(C[NH2+]CC2(CN3CCOCC3)CCCCC2)CC1 ZINC000193655627 323257014 /nfs/dbraw/zinc/25/70/14/323257014.db2.gz NRXHWAYMVCVWLP-UHFFFAOYSA-N 2 0 312.523 2.754 20 0 DFADRP C[C@H]1C[C@H]([NH2+]CC2CC[NH2+]CC2)CCN1Cc1ccccc1 ZINC000379637923 323291147 /nfs/dbraw/zinc/29/11/47/323291147.db2.gz TUDAUJFPICWEHO-QFBILLFUSA-N 2 0 301.478 2.629 20 0 DFADRP C[C@@H]1CN(Cc2ccccc2)CCC[N@@H+]1CCC1CC[NH2+]CC1 ZINC000382696733 323301084 /nfs/dbraw/zinc/30/10/84/323301084.db2.gz KGISQUZQDZSYOR-GOSISDBHSA-N 2 0 315.505 2.973 20 0 DFADRP C[C@@H]1CC[N@H+](CC[C@@H]2CC[NH2+]C2)CCN1Cc1ccccc1 ZINC000382736917 323302241 /nfs/dbraw/zinc/30/22/41/323302241.db2.gz JGGCDXSMXHREOP-MSOLQXFVSA-N 2 0 301.478 2.582 20 0 DFADRP C[C@H]1CC[N@H+](CC[C@@H]2CC[NH2+]C2)CCN1Cc1ccccc1 ZINC000382736920 323302349 /nfs/dbraw/zinc/30/23/49/323302349.db2.gz JGGCDXSMXHREOP-ROUUACIJSA-N 2 0 301.478 2.582 20 0 DFADRP [NH3+][C@@H](Cc1ccccc1)[C@@H](O)C[N@H+](Cc1ccccc1)C1CC1 ZINC000383595007 323304716 /nfs/dbraw/zinc/30/47/16/323304716.db2.gz SOXZZQKEMUWQNU-PMACEKPBSA-N 2 0 310.441 2.582 20 0 DFADRP C[NH2+][C@@H](CC(C)(C)C)C(=O)Nc1cc(C[NH+](C)C)ccc1OC ZINC000387579311 323326553 /nfs/dbraw/zinc/32/65/53/323326553.db2.gz PIJVTDIEJNCWDC-HNNXBMFYSA-N 2 0 321.465 2.720 20 0 DFADRP CCN(C(=O)OC(C)(C)C)[C@H](C)C[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000387678991 323327637 /nfs/dbraw/zinc/32/76/37/323327637.db2.gz RTHCJJZURKMOPG-RRFJBIMHSA-N 2 0 313.486 2.704 20 0 DFADRP CC(C)[C@@H](C(=O)Nc1ccc(C[NH+]2CCCC2)cc1)[C@@H](C)[NH3+] ZINC000399551548 323359865 /nfs/dbraw/zinc/35/98/65/323359865.db2.gz AAPIFWCTECGICR-RHSMWYFYSA-N 2 0 303.450 2.840 20 0 DFADRP CSC[C@@H](O)C[NH2+]Cc1cccc(C[NH+]2CCC(C)CC2)c1 ZINC000581305315 323503710 /nfs/dbraw/zinc/50/37/10/323503710.db2.gz CGMWWFOPFSSWPK-SFHVURJKSA-N 2 0 322.518 2.732 20 0 DFADRP CC[NH+](CC)[C@H](C(=O)N[C@H](C[NH3+])CC(C)C)c1ccccc1 ZINC000582065472 323611456 /nfs/dbraw/zinc/61/14/56/323611456.db2.gz OVXYVRRJGMQAPW-IRXDYDNUSA-N 2 0 305.466 2.559 20 0 DFADRP CC[NH+]1CCN(c2ccccc2N[C@@H](C)[C@H]2CCC[NH2+]C2)CC1 ZINC000582295399 323646736 /nfs/dbraw/zinc/64/67/36/323646736.db2.gz HBXUDVRCLQLLJC-IRXDYDNUSA-N 2 0 316.493 2.629 20 0 DFADRP Cc1cc(C[NH3+])cc(NC(=O)NC2CC[NH+](C3CCC3)CC2)c1 ZINC000582355653 323657282 /nfs/dbraw/zinc/65/72/82/323657282.db2.gz UJJUZIZQJICETA-UHFFFAOYSA-N 2 0 316.449 2.592 20 0 DFADRP [NH3+]CCCCC(=O)NCc1ccccc1C[NH+]1CCCCCC1 ZINC000582902597 323758531 /nfs/dbraw/zinc/75/85/31/323758531.db2.gz PGWHQJLMYFCYOG-UHFFFAOYSA-N 2 0 317.477 2.808 20 0 DFADRP CSC[C@H](O)C[NH2+]Cc1ccccc1C[NH+]1CCC(C)CC1 ZINC000582959644 323768094 /nfs/dbraw/zinc/76/80/94/323768094.db2.gz HISUSFOFRFRSHN-GOSISDBHSA-N 2 0 322.518 2.732 20 0 DFADRP CC(C)[C@H]1CCCC[C@@H]1[NH2+]Cc1nnc(C2CC[NH2+]CC2)[nH]1 ZINC000583020084 323780011 /nfs/dbraw/zinc/78/00/11/323780011.db2.gz WRTJKXXIXLBJID-CABCVRRESA-N 2 0 305.470 2.576 20 0 DFADRP COc1ccc([C@H](C[NH3+])C[NH+]2CCc3ccccc3CC2)cc1 ZINC000583075119 323790946 /nfs/dbraw/zinc/79/09/46/323790946.db2.gz ZKGSIBDOFGCAFY-LJQANCHMSA-N 2 0 310.441 2.838 20 0 DFADRP CCc1ccccc1NC(=O)C[C@@H](C)[NH2+]CC[C@@H]([NH3+])C(C)C ZINC000663502727 500748831 /nfs/dbraw/zinc/74/88/31/500748831.db2.gz LHWAPVGPHUGYHD-GDBMZVCRSA-N 2 0 305.466 2.929 20 0 DFADRP CCN(CC[NH+]1CCCCCC1)C(=O)C1CC[NH+](C(C)C)CC1 ZINC000346317445 517647314 /nfs/dbraw/zinc/64/73/14/517647314.db2.gz PLOOKGCWQNIZIH-UHFFFAOYSA-N 2 0 323.525 2.831 20 0 DFADRP c1cc(N2CCC(C[NH2+]C3CCN(C4CC4)CC3)CC2)cc[nH+]1 ZINC000297605359 534469649 /nfs/dbraw/zinc/46/96/49/534469649.db2.gz KHSGBROFKJUIOV-UHFFFAOYSA-N 2 0 314.477 2.514 20 0 DFADRP CCO[C@@H](CC[NH+](C)C)C[NH2+][C@@H]1CCc2ccc(OC)cc21 ZINC000165969056 520292537 /nfs/dbraw/zinc/29/25/37/520292537.db2.gz AXNPVBXMJSNGIH-FUHWJXTLSA-N 2 0 306.450 2.629 20 0 DFADRP CCC[C@H]([NH3+])C(=O)NC[C@@H]1CC[N@H+](C)[C@H]1c1cccc(Cl)c1 ZINC000366330345 521113505 /nfs/dbraw/zinc/11/35/05/521113505.db2.gz QTKUIVYYRNREFN-BPUTZDHNSA-N 2 0 323.868 2.576 20 0 DFADRP C[NH+](C)CCSC[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000368498642 521807127 /nfs/dbraw/zinc/80/71/27/521807127.db2.gz JLTODXLFQHQWOA-KRWDZBQOSA-N 2 0 308.491 2.572 20 0 DFADRP C[NH+](C)CCc1ccc(NC(=O)C[C@@H]2CCC[NH2+]CC2)cc1 ZINC000364115095 521813987 /nfs/dbraw/zinc/81/39/87/521813987.db2.gz HKVKOKUJRYDAIN-MRXNPFEDSA-N 2 0 303.450 2.509 20 0 DFADRP Cc1[nH+]c2ccccc2c(N2CC[N@H+](CCO)C(C)(C)C2)c1C ZINC000302504137 534671096 /nfs/dbraw/zinc/67/10/96/534671096.db2.gz DMBAVEGNEPPKLK-UHFFFAOYSA-N 2 0 313.445 2.745 20 0 DFADRP CCc1cc(N2CCC[N@@H+]([C@H](C)CO)CC2)c2ccccc2[nH+]1 ZINC000364981678 523793792 /nfs/dbraw/zinc/79/37/92/523793792.db2.gz KZBSTKPBDVPZLM-OAHLLOKOSA-N 2 0 313.445 2.690 20 0 DFADRP C[N@@H+]1CCC[C@@H]1CC[NH+]1CCC(c2ccccc2CO)CC1 ZINC000364778435 523819351 /nfs/dbraw/zinc/81/93/51/523819351.db2.gz LVAYJESQGWWLHV-GOSISDBHSA-N 2 0 302.462 2.843 20 0 DFADRP C[N@@H+]1CCC[C@H]1CC[NH+]1CCC(c2ccccc2CO)CC1 ZINC000364778437 523848900 /nfs/dbraw/zinc/84/89/00/523848900.db2.gz LVAYJESQGWWLHV-SFHVURJKSA-N 2 0 302.462 2.843 20 0 DFADRP COc1ccc(CC[NH2+][C@@H]2CC[N@H+](C)[C@H]3CCC[C@@H]32)cc1F ZINC000367602236 523978015 /nfs/dbraw/zinc/97/80/15/523978015.db2.gz SABDORVLASNCEE-OIISXLGYSA-N 2 0 306.425 2.839 20 0 DFADRP COc1ccc(C[NH+]2CCC(C[NH+]3CCCC3)CC2)cc1O ZINC000156012042 524022787 /nfs/dbraw/zinc/02/27/87/524022787.db2.gz CTHUDVRQYLGCMD-UHFFFAOYSA-N 2 0 304.434 2.709 20 0 DFADRP C[C@H](CCc1cccc(F)c1)[NH2+]CCCN1CCC[N@H+](C)CC1 ZINC000128385043 524239869 /nfs/dbraw/zinc/23/98/69/524239869.db2.gz SDXIKPYCYBQEQW-QGZVFWFLSA-N 2 0 321.484 2.764 20 0 DFADRP Cc1nccn1CC[N@@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000310320782 534773979 /nfs/dbraw/zinc/77/39/79/534773979.db2.gz YPIAYMWLCUCSPL-PMACEKPBSA-N 2 0 324.472 2.645 20 0 DFADRP Cc1ccn2c(C[NH2+]CCCCC[NH+]3CCCC3)cnc2c1 ZINC000339497480 525610485 /nfs/dbraw/zinc/61/04/85/525610485.db2.gz JTVBICQUHHYNDM-UHFFFAOYSA-N 2 0 300.450 2.998 20 0 DFADRP CC1(C)[C@H]([NH2+]C[C@@H]2CC[N@H+](Cc3ccccc3)C2)[C@H]2CCO[C@H]21 ZINC000309654293 527869541 /nfs/dbraw/zinc/86/95/41/527869541.db2.gz BBKUNBMCHOLJCA-WJFTUGDTSA-N 2 0 314.473 2.912 20 0 DFADRP CC(C)c1ccc([C@H]([NH3+])CNC(=O)[C@H]2CC[NH2+][C@@H]2C(C)C)cc1 ZINC000295002595 528144857 /nfs/dbraw/zinc/14/48/57/528144857.db2.gz IGXFZPBSJCTRTE-RCCFBDPRSA-N 2 0 317.477 2.560 20 0 DFADRP CCN(CC)C(=O)[C@H](C)[NH2+]Cc1ccccc1C[NH+](CC)CC ZINC000298131551 528200232 /nfs/dbraw/zinc/20/02/32/528200232.db2.gz YAYJBMSAZRUBLB-INIZCTEOSA-N 2 0 319.493 2.875 20 0 DFADRP CC(C)C[N@@H+]1CCC[C@@H](C[NH2+][C@H]2CCCc3c2cnn3C)C1 ZINC000246303494 535077896 /nfs/dbraw/zinc/07/78/96/535077896.db2.gz DGCWDIYOAZSEMM-RDJZCZTQSA-N 2 0 304.482 2.755 20 0 DFADRP CCC1(CC)[C@H]([NH2+]C2CC[NH+](C[C@H]3CCOC3)CC2)C[C@@H]1OC ZINC000245912710 535274532 /nfs/dbraw/zinc/27/45/32/535274532.db2.gz PNVQFUPAEATKRU-NXHRZFHOSA-N 2 0 324.509 2.671 20 0 DFADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@@H](C)[C@@H]1CCC[NH+](C2CCC2)C1 ZINC000358103365 535361916 /nfs/dbraw/zinc/36/19/16/535361916.db2.gz KJWOVWUXCKOLKC-LZLYRXPVSA-N 2 0 321.509 2.630 20 0 DFADRP CC[N@@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC000361527785 535508450 /nfs/dbraw/zinc/50/84/50/535508450.db2.gz SXNDEHUGSYKCEX-AEFFLSMTSA-N 2 0 321.509 2.632 20 0 DFADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)[C@H]1CCCC1(C)C ZINC000355282772 535594885 /nfs/dbraw/zinc/59/48/85/535594885.db2.gz SBGGVIBBEKEUBW-DLBZAZTESA-N 2 0 323.525 2.687 20 0 DFADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)[C@@H]1CCCC1(C)C ZINC000355282777 535595592 /nfs/dbraw/zinc/59/55/92/535595592.db2.gz SBGGVIBBEKEUBW-IRXDYDNUSA-N 2 0 323.525 2.687 20 0 DFADRP CCC[C@H](C)[N@H+](C)CC(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000354828420 535630189 /nfs/dbraw/zinc/63/01/89/535630189.db2.gz BIPPOCJIOLWEGV-DOTOQJQBSA-N 2 0 305.466 2.526 20 0 DFADRP CCN(C(=O)C[NH+]1CCC([C@H]2CCC[NH2+]2)CC1)c1ccccc1 ZINC000261844432 535662573 /nfs/dbraw/zinc/66/25/73/535662573.db2.gz ZDLQVSRCJIGKCR-GOSISDBHSA-N 2 0 315.461 2.504 20 0 DFADRP CCN(C(=O)C[NH+]1CCC([C@@H]2CCC[NH2+]2)CC1)c1ccccc1 ZINC000261844435 535663079 /nfs/dbraw/zinc/66/30/79/535663079.db2.gz ZDLQVSRCJIGKCR-SFHVURJKSA-N 2 0 315.461 2.504 20 0 DFADRP CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C[C@]1(C)CC[NH2+]C1 ZINC000261736426 535772598 /nfs/dbraw/zinc/77/25/98/535772598.db2.gz HVKNYNMYGOICDP-VQTJNVASSA-N 2 0 315.505 2.830 20 0 DFADRP CC[C@@H]([NH2+]CC(C)(C)C[NH+]1CCCC1)C1(C(=O)OC)CCC1 ZINC000357851980 535802879 /nfs/dbraw/zinc/80/28/79/535802879.db2.gz OKPGHUZNCABFJB-OAHLLOKOSA-N 2 0 310.482 2.820 20 0 DFADRP CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)[C@@]2(C)CCCC[NH2+]2)C1 ZINC000236938938 535819687 /nfs/dbraw/zinc/81/96/87/535819687.db2.gz RFCSKJMOFFVCGJ-CRAIPNDOSA-N 2 0 309.498 2.535 20 0 DFADRP CC[C@](C)(O)C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000248883697 535857715 /nfs/dbraw/zinc/85/77/15/535857715.db2.gz LLWNBZCXWRGDKF-OKYOBFRVSA-N 2 0 302.462 2.933 20 0 DFADRP COc1ccc(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)cc1OC ZINC000262116016 536897816 /nfs/dbraw/zinc/89/78/16/536897816.db2.gz KFANCDYHXYTDJR-HRCADAONSA-N 2 0 304.434 2.714 20 0 DFADRP C[NH+](C)CCOc1ccc(C[N@H+](C)CCc2ccncc2)cc1 ZINC000680477682 545500482 /nfs/dbraw/zinc/50/04/82/545500482.db2.gz ZBBLHWAXHJDGGJ-UHFFFAOYSA-N 2 0 313.445 2.697 20 0 DFADRP C[C@H](O)C[NH+]1CCC(C[N@H+](C)[C@@H]2CCc3ccccc32)CC1 ZINC000682073661 545789416 /nfs/dbraw/zinc/78/94/16/545789416.db2.gz VRAHBIDAEGEJBS-HNAYVOBHSA-N 2 0 302.462 2.699 20 0 DFADRP COCC[N@H+](C)CCCC1CC[NH+](Cc2ccc(O)cc2)CC1 ZINC000682404441 545841434 /nfs/dbraw/zinc/84/14/34/545841434.db2.gz GKXZNUYFDULCGI-UHFFFAOYSA-N 2 0 320.477 2.963 20 0 DFADRP C[NH+]1CCN(C(C)(C)C[NH2+][C@@H]2CS[C@H](C(C)(C)C)C2)CC1 ZINC000683111426 545973014 /nfs/dbraw/zinc/97/30/14/545973014.db2.gz XOAUVIZIXMCYCR-GJZGRUSLSA-N 2 0 313.555 2.522 20 0 DFADRP C[C@@H](O)C[C@H]1CCCC[N@@H+]1Cc1ccc(OCC[NH+](C)C)cc1 ZINC000684149278 546158937 /nfs/dbraw/zinc/15/89/37/546158937.db2.gz WPZAFDGKTZWLBY-SJLPKXTDSA-N 2 0 320.477 2.752 20 0 DFADRP CO[C@H]1CCC[C@H]([NH2+]Cc2ccccc2OCC[NH+](C)C)C1 ZINC000684373433 546203271 /nfs/dbraw/zinc/20/32/71/546203271.db2.gz ZNCKTMSEZOIAAP-IRXDYDNUSA-N 2 0 306.450 2.674 20 0 DFADRP CCc1cccc(F)c1C[NH2+]CCCN1CCC[N@H+](C)CC1 ZINC000684535107 546238544 /nfs/dbraw/zinc/23/85/44/546238544.db2.gz IDKSAUAZWMZQLM-UHFFFAOYSA-N 2 0 307.457 2.505 20 0 DFADRP C[C@@H](CO)[N@@H+](Cc1ccc(OCC[NH+](C)C)cc1)CC1CCC1 ZINC000685431600 546348530 /nfs/dbraw/zinc/34/85/30/546348530.db2.gz YMXIMPZMZVMZDQ-INIZCTEOSA-N 2 0 320.477 2.610 20 0 DFADRP CC(C)[C@H](CO)C[NH2+][C@H]1C[C@@H](C)CN(Cc2ccccc2)C1 ZINC000685448665 546351849 /nfs/dbraw/zinc/35/18/49/546351849.db2.gz IUVMERGBYGDPCQ-NEWSRXKRSA-N 2 0 304.478 2.751 20 0 DFADRP O=C(NC[C@@H](c1cccs1)[NH+]1CCCC1)[C@@H]1CCCCC[NH2+]1 ZINC000364462500 295660175 /nfs/dbraw/zinc/66/01/75/295660175.db2.gz PTYKHGWVVZRRRP-GJZGRUSLSA-N 2 0 321.490 2.533 20 0 DFADRP C[C@@H]([NH2+]CC1CC[NH+](C2CC2)CC1)c1ccc2c(c1)OCCO2 ZINC000278393283 214138282 /nfs/dbraw/zinc/13/82/82/214138282.db2.gz GALZWTLNRYOKRH-CQSZACIVSA-N 2 0 316.445 2.983 20 0 DFADRP COc1ccc([C@H](C)[NH2+]CCC[N@@H+]2CCCO[C@H](C)C2)cc1 ZINC000278626204 214284128 /nfs/dbraw/zinc/28/41/28/214284128.db2.gz RRYVIAYAOJREAW-CVEARBPZSA-N 2 0 306.450 2.847 20 0 DFADRP [NH3+]CCCCCCC(=O)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000164722864 197663014 /nfs/dbraw/zinc/66/30/14/197663014.db2.gz WJNZZJMVPURQQM-UHFFFAOYSA-N 2 0 317.477 2.808 20 0 DFADRP CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Nc1cc(C)cc(C[NH3+])c1 ZINC000332650236 529405885 /nfs/dbraw/zinc/40/58/85/529405885.db2.gz NGOFPXYCHLEKDH-IAGOWNOFSA-N 2 0 316.449 2.544 20 0 DFADRP C[C@H]([NH3+])[C@@H]1CCC[N@H+](CCCc2nc(-c3cccs3)no2)C1 ZINC000315340160 231139878 /nfs/dbraw/zinc/13/98/78/231139878.db2.gz FQDLBMXAYHBWNU-QWHCGFSZSA-N 2 0 320.462 2.790 20 0 DFADRP [NH3+]CCCN1CCC[N@H+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000314592988 231131588 /nfs/dbraw/zinc/13/15/88/231131588.db2.gz HFOVQRPXIALXIU-UHFFFAOYSA-N 2 0 315.383 2.562 20 0 DFADRP COC[C@H](CCC[NH3+])[NH2+]CC1(N2CCCCC2)CCCCC1 ZINC000318416603 231169672 /nfs/dbraw/zinc/16/96/72/231169672.db2.gz YABXYKIGAXOQID-KRWDZBQOSA-N 2 0 311.514 2.519 20 0 DFADRP COc1ccc(C[NH2+][C@@H]2CC[N@H+](C)C[C@@H]2C)cc1OC(F)F ZINC000319342523 231183130 /nfs/dbraw/zinc/18/31/30/231183130.db2.gz CULIGZZYDJGQAK-WCQYABFASA-N 2 0 314.376 2.726 20 0 DFADRP C[NH+](C)[C@@H](CNC(=O)[C@@H]([NH3+])CC1CCCCC1)c1ccccc1 ZINC000261617348 282177149 /nfs/dbraw/zinc/17/71/49/282177149.db2.gz BSROILBJZYLUCC-ROUUACIJSA-N 2 0 317.477 2.703 20 0 DFADRP CC[C@H]1CCCCN1C(=O)C[N@@H+]1CCC[C@@H](n2ccnc2C)C1 ZINC000591905788 398348507 /nfs/dbraw/zinc/34/85/07/398348507.db2.gz KKJIHAPIHMBZLZ-DLBZAZTESA-N 2 0 318.465 2.620 20 0 DFADRP Cc1nccn1[C@@H]1CCC[N@@H+](CC(=O)N2[C@@H](C)CCC[C@@H]2C)C1 ZINC000591904817 398348638 /nfs/dbraw/zinc/34/86/38/398348638.db2.gz AUWODOSNRSXXRO-YQQAZPJKSA-N 2 0 318.465 2.618 20 0 DFADRP Cc1nccn1[C@H]1CCC[N@@H+](CC(=O)N(C)[C@@H](C)CC(C)C)C1 ZINC000591906360 398349227 /nfs/dbraw/zinc/34/92/27/398349227.db2.gz LKIWUFPRYOIGLB-RDJZCZTQSA-N 2 0 320.481 2.721 20 0 DFADRP CCCCCNC(=O)[C@H](C)[N@@H+]1CCC[C@@H](n2ccnc2C)C1 ZINC000591906976 398350317 /nfs/dbraw/zinc/35/03/17/398350317.db2.gz WUWIEXJWQWUUEW-GOEBONIOSA-N 2 0 306.454 2.523 20 0 DFADRP C[NH+](C)[C@@H]1CCCN(C(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC000365307630 282186435 /nfs/dbraw/zinc/18/64/35/282186435.db2.gz JGUVIISWFRUPQV-DLBZAZTESA-N 2 0 321.509 2.584 20 0 DFADRP CCC[NH+](CCC)CCCNC(=O)[C@@H]1[NH2+]CCc2ccccc21 ZINC000236992125 398365227 /nfs/dbraw/zinc/36/52/27/398365227.db2.gz YOCGVGMFSZLMBC-GOSISDBHSA-N 2 0 317.477 2.502 20 0 DFADRP C[C@@H]1CCC[N@H+](Cc2ccc(NC(=O)C[NH2+]C3CC3)cc2)C1 ZINC000237478518 398370396 /nfs/dbraw/zinc/37/03/96/398370396.db2.gz RWWHWXGGDQHONK-CQSZACIVSA-N 2 0 301.434 2.609 20 0 DFADRP C[C@@H](CC(=O)Nc1cccc(Cl)c1)[NH2+]C[C@@H]1CCCN1C ZINC000237610616 398371864 /nfs/dbraw/zinc/37/18/64/398371864.db2.gz CFQQWWBZJGOFFE-WFASDCNBSA-N 2 0 309.841 2.741 20 0 DFADRP CC[NH+]1CCN([C@H]2CC[N@H+](Cc3ccc(C4CC4)cc3)C2)CC1 ZINC000459349360 299085292 /nfs/dbraw/zinc/08/52/92/299085292.db2.gz ZRDYEONVHXUSMA-FQEVSTJZSA-N 2 0 313.489 2.776 20 0 DFADRP CC(=O)Nc1ccccc1C[NH+]1CCC(CC[NH+](C)C)CC1 ZINC000092381317 185314773 /nfs/dbraw/zinc/31/47/73/185314773.db2.gz OVTLZWSRVGSTRP-UHFFFAOYSA-N 2 0 303.450 2.809 20 0 DFADRP CC(=O)Nc1cccc(C[NH2+]C2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000459375582 299090897 /nfs/dbraw/zinc/09/08/97/299090897.db2.gz NDTOTWUXUWZNGJ-UHFFFAOYSA-N 2 0 324.428 2.799 20 0 DFADRP CC[NH+](CC)[C@H](CNC1CC[NH+](C2CC2)CC1)c1ccco1 ZINC000459387986 299093332 /nfs/dbraw/zinc/09/33/32/299093332.db2.gz KKNGPSACSWVUIG-QGZVFWFLSA-N 2 0 305.466 2.879 20 0 DFADRP C[C@@H]1CCC[C@@H](C[NH2+]C2CCN(C3CC[NH+](C)CC3)CC2)C1 ZINC000092564483 185326207 /nfs/dbraw/zinc/32/62/07/185326207.db2.gz VYUAFTVUVMYTEV-IAGOWNOFSA-N 2 0 307.526 2.961 20 0 DFADRP CN(C)[C@H](C[NH2+][C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1)c1ccco1 ZINC000262344843 282248314 /nfs/dbraw/zinc/24/83/14/282248314.db2.gz UUMNQIRABAZFKH-YLFCFFPRSA-N 2 0 305.466 2.783 20 0 DFADRP C[NH+](C)CCNC(=O)C1CC[NH+](CC2CCC(C)(C)CC2)CC1 ZINC000092615713 185328934 /nfs/dbraw/zinc/32/89/34/185328934.db2.gz MYEGIAHJROIETO-UHFFFAOYSA-N 2 0 323.525 2.593 20 0 DFADRP Cn1cc(C[N@H+](C)CCC2CCN(c3cc[nH+]cc3)CC2)cn1 ZINC000092821173 185343988 /nfs/dbraw/zinc/34/39/88/185343988.db2.gz QILHHRKKQKTKQH-UHFFFAOYSA-N 2 0 313.449 2.554 20 0 DFADRP CCOc1cc(C[NH2+][C@H]2CCN(C3CC3)C2)cc(Cl)c1O ZINC000459401201 299097040 /nfs/dbraw/zinc/09/70/40/299097040.db2.gz CWBIKYYNUJIJDS-LBPRGKRZSA-N 2 0 310.825 2.771 20 0 DFADRP COCc1cc(C[NH2+]CC2CC[NH+](CCC(C)C)CC2)no1 ZINC000459423247 299102195 /nfs/dbraw/zinc/10/21/95/299102195.db2.gz ITCDVCLWLCUCPK-UHFFFAOYSA-N 2 0 309.454 2.669 20 0 DFADRP CCO[C@@H]1C[C@H]([NH2+]CCC2CC[NH+](CC)CC2)[C@H]1SC ZINC000459423488 299102889 /nfs/dbraw/zinc/10/28/89/299102889.db2.gz PHRYXEWIIZBYRQ-ARFHVFGLSA-N 2 0 300.512 2.607 20 0 DFADRP CC[NH+](CC)C[C@@H]1CCCC[C@H]1NCc1cc(COC)on1 ZINC000459426524 299102918 /nfs/dbraw/zinc/10/29/18/299102918.db2.gz MYXFXOSCQAMPRC-WMLDXEAASA-N 2 0 309.454 2.811 20 0 DFADRP C[C@H](CC(=O)NC[C@H](C1CCCCC1)[NH+](C)C)[C@H]1CCC[NH2+]C1 ZINC000262664069 398433407 /nfs/dbraw/zinc/43/34/07/398433407.db2.gz IAWWQRALIBPRJR-BPQIPLTHSA-N 2 0 323.525 2.639 20 0 DFADRP C[NH+](C)[C@H](CNC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2[NH2+]1)C1CCCCC1 ZINC000262658177 398433554 /nfs/dbraw/zinc/43/35/54/398433554.db2.gz DVHFCEFZGKQFFF-VSZNYVQBSA-N 2 0 321.509 2.534 20 0 DFADRP CC(C)[C@@H]([NH2+]Cc1ccc(C(=O)NCC[NH+](C)C)cc1)C1CC1 ZINC000090038859 398474626 /nfs/dbraw/zinc/47/46/26/398474626.db2.gz QWGVWKMRZUJVTP-GOSISDBHSA-N 2 0 317.477 2.502 20 0 DFADRP C[C@H]1CC[C@@H](C[NH+]2CCN(c3cc[nH+]c4ccccc43)CC2)O1 ZINC000459487100 299119266 /nfs/dbraw/zinc/11/92/66/299119266.db2.gz UHVIZXCOBUGRBA-HOTGVXAUSA-N 2 0 311.429 2.924 20 0 DFADRP CC1(C)CCC[C@](O)(C[NH2+]C2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000459527455 299125969 /nfs/dbraw/zinc/12/59/69/299125969.db2.gz YWPUJMJFUVGBTK-LJQANCHMSA-N 2 0 317.477 2.971 20 0 DFADRP COC(=O)c1ccc(F)c(C[NH+]2CCC(CC[NH+](C)C)CC2)c1 ZINC000181892946 199363899 /nfs/dbraw/zinc/36/38/99/199363899.db2.gz AZSGYBKAORSHRJ-UHFFFAOYSA-N 2 0 322.424 2.776 20 0 DFADRP CC(C)[C@@H](CO)[C@H]([NH2+]C1CCN(c2cc[nH+]cc2)CC1)C(C)C ZINC000459576974 299138331 /nfs/dbraw/zinc/13/83/31/299138331.db2.gz LMFSALNCGYPLEC-RTBURBONSA-N 2 0 319.493 2.929 20 0 DFADRP CC[NH+]1CCN([C@H](C)C[NH2+][C@H](C)c2ccc(OC)cc2C)CC1 ZINC000414067011 295762936 /nfs/dbraw/zinc/76/29/36/295762936.db2.gz PYLDIKHEVZRVCC-IAGOWNOFSA-N 2 0 319.493 2.680 20 0 DFADRP COc1ccc([C@@H](C)[NH2+]CCN2CCC([NH+](C)C)CC2)c(C)c1 ZINC000414111222 295768655 /nfs/dbraw/zinc/76/86/55/295768655.db2.gz MHFOZEOTEAWCRC-MRXNPFEDSA-N 2 0 319.493 2.680 20 0 DFADRP CCn1cc(C[NH2+][C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)cn1 ZINC000272613672 210013986 /nfs/dbraw/zinc/01/39/86/210013986.db2.gz WVXUBUPGNUDSHS-XUVXKRRUSA-N 2 0 324.472 2.903 20 0 DFADRP O[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]12 ZINC000272612500 210011067 /nfs/dbraw/zinc/01/10/67/210011067.db2.gz WOBKMHWOVIVDIS-LTFPLMDUSA-N 2 0 314.473 2.790 20 0 DFADRP COC(=O)c1oc(CNC[C@H]2CCC[N@@H+](C(C)C)C2)cc1C ZINC000597055637 398556586 /nfs/dbraw/zinc/55/65/86/398556586.db2.gz MFXDKIBFUJMFBR-CQSZACIVSA-N 2 0 308.422 2.585 20 0 DFADRP CC1(C[NH2+]Cc2cc(Br)cs2)CC[NH2+]CC1 ZINC000070600633 190908080 /nfs/dbraw/zinc/90/80/80/190908080.db2.gz OAXPGZFWCULUJT-UHFFFAOYSA-N 2 0 303.269 2.990 20 0 DFADRP C[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]CCc2cn(C)cn2)CC1 ZINC000459655890 299156925 /nfs/dbraw/zinc/15/69/25/299156925.db2.gz GLIISNPIHKGJBU-QAPCUYQASA-N 2 0 304.482 2.595 20 0 DFADRP COC(=O)c1oc(C[NH2+]CC2CC[NH+](CC3CC3)CC2)cc1C ZINC000597248509 398606483 /nfs/dbraw/zinc/60/64/83/398606483.db2.gz ZUWUTGVDNIVJKK-UHFFFAOYSA-N 2 0 320.433 2.586 20 0 DFADRP CCOC(=O)[C@]1(C)CCC[C@@H]1[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000597241238 398603609 /nfs/dbraw/zinc/60/36/09/398603609.db2.gz QSXBQXWAGOPSBZ-FUHWJXTLSA-N 2 0 308.466 2.572 20 0 DFADRP CCOC(=O)[C@@]1(C)CCC[C@@H]1[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000597241240 398603862 /nfs/dbraw/zinc/60/38/62/398603862.db2.gz QSXBQXWAGOPSBZ-WMZOPIPTSA-N 2 0 308.466 2.572 20 0 DFADRP COC(=O)[C@H]1C[C@H]([NH2+]C2CC[NH+]([C@H]3CCCC[C@H]3C)CC2)C1 ZINC000597243652 398604486 /nfs/dbraw/zinc/60/44/86/398604486.db2.gz TURQULGKEXCDSJ-SRABZTEZSA-N 2 0 308.466 2.571 20 0 DFADRP C[NH+]1CCC(CC(=O)N2CCC[C@H]([NH+]3CCCCCC3)C2)CC1 ZINC000368277477 282689719 /nfs/dbraw/zinc/68/97/19/282689719.db2.gz SJURMFFLMCFOHY-SFHVURJKSA-N 2 0 321.509 2.585 20 0 DFADRP Cc1nn(-c2cccc(F)c2)cc1C[NH+]1CCC([C@@H](C)[NH3+])CC1 ZINC000414680600 295815446 /nfs/dbraw/zinc/81/54/46/295815446.db2.gz ZAAWOIIXIXJILU-CYBMUJFWSA-N 2 0 316.424 2.879 20 0 DFADRP C[C@H](CC(=O)Nc1ccccc1)[NH2+]CC[C@@H]1CCC[N@H+](C)C1 ZINC000459720997 299172243 /nfs/dbraw/zinc/17/22/43/299172243.db2.gz AAWHISVXWCDNMJ-CVEARBPZSA-N 2 0 303.450 2.725 20 0 DFADRP C[N@@H+]1CCC[C@H](CC[NH2+]Cc2cn3cc(Cl)ccc3n2)C1 ZINC000459722802 299172257 /nfs/dbraw/zinc/17/22/57/299172257.db2.gz BZXGBAUXYRTTGO-CYBMUJFWSA-N 2 0 306.841 2.809 20 0 DFADRP C[C@H](CC(=O)Nc1cccc(F)c1)[NH2+]CC[C@H]1CCC[N@H+](C)C1 ZINC000459725040 299173029 /nfs/dbraw/zinc/17/30/29/299173029.db2.gz FNRVPNAOSJOUDT-HUUCEWRRSA-N 2 0 321.440 2.864 20 0 DFADRP COc1ccc(C[C@H](C)[NH2+][C@H]2CC[N@@H+]3CCCC[C@H]23)cc1OC ZINC000268746041 186376296 /nfs/dbraw/zinc/37/62/96/186376296.db2.gz AUDLZCQITNIKSV-BHYGNILZSA-N 2 0 318.461 2.851 20 0 DFADRP CCN(CC)C(=O)C1([NH2+]C[C@@H]2CC[NH2+][C@@H](C)C2)CCCCC1 ZINC000414697547 295817329 /nfs/dbraw/zinc/81/73/29/295817329.db2.gz CDKCNWAFBPGXSJ-JKSUJKDBSA-N 2 0 309.498 2.535 20 0 DFADRP C[N@@H+]1CCC[C@@H](CC[NH2+]Cc2ccc(N3CCCC3)nc2)C1 ZINC000459731971 299175546 /nfs/dbraw/zinc/17/55/46/299175546.db2.gz LPGHZJAVELFHSM-INIZCTEOSA-N 2 0 302.466 2.503 20 0 DFADRP Cc1csc(N2CCC([NH2+]CC[C@@H]3CCC[N@@H+](C)C3)CC2)n1 ZINC000459732069 299175976 /nfs/dbraw/zinc/17/59/76/299175976.db2.gz MAFSNMNMODHNJR-HNNXBMFYSA-N 2 0 322.522 2.742 20 0 DFADRP COc1cc(C[NH2+]CC[C@H]2CC[NH2+]C2)c(SC)cc1OC ZINC000414837150 295824141 /nfs/dbraw/zinc/82/41/41/295824141.db2.gz UGBXYTKACRJGSI-GFCCVEGCSA-N 2 0 310.463 2.515 20 0 DFADRP Cn1c(C[NH2+]CC[C@H]2CCC[NH2+]C2)nc2ccc(Cl)cc21 ZINC000414847988 295825842 /nfs/dbraw/zinc/82/58/42/295825842.db2.gz WNRGRZXFIAYCNR-GFCCVEGCSA-N 2 0 306.841 2.706 20 0 DFADRP c1cn2c(C[NH2+]CC[C@@H]3CCC[NH2+]C3)c(C3CC3)nc2s1 ZINC000414853674 295826333 /nfs/dbraw/zinc/82/63/33/295826333.db2.gz SNIIVVMMWSYYOB-LBPRGKRZSA-N 2 0 304.463 2.753 20 0 DFADRP COc1cc(C[NH2+]CC[C@H]2CCC[NH2+]C2)cc(Cl)c1OC ZINC000414854926 295826456 /nfs/dbraw/zinc/82/64/56/295826456.db2.gz VOXKEZBCTUYAKP-GFCCVEGCSA-N 2 0 312.841 2.837 20 0 DFADRP CC[NH+]1CCC(C[NH2+]Cc2cn3cc(Cl)ccc3n2)CC1 ZINC000096543951 398660536 /nfs/dbraw/zinc/66/05/36/398660536.db2.gz OLCNQIXSEWVZED-UHFFFAOYSA-N 2 0 306.841 2.809 20 0 DFADRP COc1ccc(C[C@H](C)C[NH2+][C@H](C)[C@H]2CCC[NH2+]C2)cc1F ZINC000414860840 295827502 /nfs/dbraw/zinc/82/75/02/295827502.db2.gz VZSKIZJCXXDCHX-LZWOXQAQSA-N 2 0 308.441 2.991 20 0 DFADRP c1ccc([C@@H]2CCCC[C@@H]([NH2+]CCN3CC[NH2+]CC3)C2)cc1 ZINC000414865389 295828069 /nfs/dbraw/zinc/82/80/69/295828069.db2.gz LCXNKPVHMCOPGN-RTBURBONSA-N 2 0 301.478 2.598 20 0 DFADRP Cc1nn(Cc2ccc(Cl)cc2)c(C)c1C[NH2+]C[C@H](C)C[NH3+] ZINC000414877818 295829126 /nfs/dbraw/zinc/82/91/26/295829126.db2.gz NHQHYRQRBCQYDG-GFCCVEGCSA-N 2 0 320.868 2.886 20 0 DFADRP COc1ccc([C@H](CO)C[NH2+]C2CC[NH+](C(C)(C)C)CC2)cc1 ZINC000459750133 299181614 /nfs/dbraw/zinc/18/16/14/299181614.db2.gz NDNHIUUBTPWESD-INIZCTEOSA-N 2 0 320.477 2.624 20 0 DFADRP C[C@@]1(C[NH2+]Cc2c[nH]nc2-c2c(F)cccc2F)CCC[NH2+]C1 ZINC000414899116 295832049 /nfs/dbraw/zinc/83/20/49/295832049.db2.gz GYADYHFUUFWLEK-QGZVFWFLSA-N 2 0 320.387 2.834 20 0 DFADRP Fc1cc(C[NH2+][C@@H]2CCC[NH2+]CC2)ccc1Br ZINC000414920118 295835037 /nfs/dbraw/zinc/83/50/37/295835037.db2.gz WTDDJVCHBIYGSP-LLVKDONJSA-N 2 0 301.203 2.820 20 0 DFADRP C[C@@H](NCc1ccc(OCCC[NH+](C)C)cc1)c1ccn(C)n1 ZINC000459762701 299185279 /nfs/dbraw/zinc/18/52/79/299185279.db2.gz UGTLGXQTLHPVOM-OAHLLOKOSA-N 2 0 316.449 2.601 20 0 DFADRP CC[C@@H]1CCCCN1C(=O)C[NH+]1CCC(C[N@H+](C)C(C)C)CC1 ZINC000590786605 398673836 /nfs/dbraw/zinc/67/38/36/398673836.db2.gz HOJDWTGINVCPIF-GOSISDBHSA-N 2 0 323.525 2.830 20 0 DFADRP CC(C)[N@H+](C)CC1CC[NH+](CC(=O)NC2CCC(C)CC2)CC1 ZINC000590787276 398675379 /nfs/dbraw/zinc/67/53/79/398675379.db2.gz YJOCAVDGXJDOGS-UHFFFAOYSA-N 2 0 323.525 2.734 20 0 DFADRP Cc1ccccc1NC(=O)C[C@H](C)[NH2+]CCC[C@@H]1CCC[NH2+]1 ZINC000414977739 295843459 /nfs/dbraw/zinc/84/34/59/295843459.db2.gz RQIWETAEILOAOJ-JKSUJKDBSA-N 2 0 303.450 2.834 20 0 DFADRP Cc1ccccc1NC(=O)CC[N@@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000072637744 191207486 /nfs/dbraw/zinc/20/74/86/191207486.db2.gz QBEZKSQWUZZIGE-INIZCTEOSA-N 2 0 303.450 2.597 20 0 DFADRP Cn1nccc1-c1ccccc1C[NH2+]CC[C@H]1CCC[N@H+](C)C1 ZINC000459780966 299190127 /nfs/dbraw/zinc/19/01/27/299190127.db2.gz MDGVUTBHNAQBHP-MRXNPFEDSA-N 2 0 312.461 2.909 20 0 DFADRP COc1ccc(NC(=O)C[C@H](C)[NH2+]C[C@H]2CCC[C@H]([NH3+])C2)cc1 ZINC000414994375 295845056 /nfs/dbraw/zinc/84/50/56/295845056.db2.gz DIKSIEIDEOBRDQ-KKUMJFAQSA-N 2 0 319.449 2.519 20 0 DFADRP c1nc(-c2ccccn2)sc1C[NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000415000649 295845970 /nfs/dbraw/zinc/84/59/70/295845970.db2.gz BLUPAKSIJLFGOH-GOEBONIOSA-N 2 0 314.458 2.683 20 0 DFADRP CCOC(=O)C1(C)CCC([NH2+]CC[C@H]2CCC[N@H+](C)C2)CC1 ZINC000459780982 299191252 /nfs/dbraw/zinc/19/12/52/299191252.db2.gz MHAJLRLZWPTWAG-KLHKWILBSA-N 2 0 310.482 2.820 20 0 DFADRP COCC[C@H](Cc1cccc(F)c1)[NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000415000358 295845814 /nfs/dbraw/zinc/84/58/14/295845814.db2.gz AUCWOPOMDSMKQV-CEXWTWQISA-N 2 0 320.452 2.751 20 0 DFADRP CCOc1c(OC)cc(C[NH2+]C(C)(C)CCC[NH3+])cc1OC ZINC000415011868 295847026 /nfs/dbraw/zinc/84/70/26/295847026.db2.gz IRAAQDFIMGXCDL-UHFFFAOYSA-N 2 0 310.438 2.710 20 0 DFADRP CC[N@H+](C)[C@@H](C(=O)N1CCC[C@H]([NH2+]C(C)C)C1)c1ccccc1 ZINC000590810154 398679330 /nfs/dbraw/zinc/67/93/30/398679330.db2.gz FFJHMJJIGPMYPV-ZWKOTPCHSA-N 2 0 317.477 2.668 20 0 DFADRP CC(C)[C@H](C(=O)N1CCC[C@@H](C[N@@H+]2CCCC[C@@H]2C)C1)[NH+](C)C ZINC000072808762 191232704 /nfs/dbraw/zinc/23/27/04/191232704.db2.gz PPTSKYDESGRKPV-OKZBNKHCSA-N 2 0 323.525 2.686 20 0 DFADRP Cc1nn(-c2ccc(F)cc2)cc1C[NH2+][C@H](C)CCCC[NH3+] ZINC000415020809 295847799 /nfs/dbraw/zinc/84/77/99/295847799.db2.gz XQCISWSHMHHMTG-CYBMUJFWSA-N 2 0 304.413 2.927 20 0 DFADRP COc1ccc2nc(C[NH2+][C@@H]3C[C@H]3C3CC[NH2+]CC3)sc2c1 ZINC000415014748 295847297 /nfs/dbraw/zinc/84/72/97/295847297.db2.gz XIMFBJDQQRWMLY-DZGCQCFKSA-N 2 0 317.458 2.783 20 0 DFADRP CC(C)N(C)c1ccc(C[NH2+]C[C@H]2CC[C@H](C[NH3+])CC2)cn1 ZINC000415026870 295848342 /nfs/dbraw/zinc/84/83/42/295848342.db2.gz VCVDRKOSCFZZSB-WKILWMFISA-N 2 0 304.482 2.781 20 0 DFADRP COc1c(Br)cccc1C[NH2+][C@H](C)CCC[NH3+] ZINC000415025399 295848398 /nfs/dbraw/zinc/84/83/98/295848398.db2.gz QWVQHEJZIIFKRY-SNVBAGLBSA-N 2 0 301.228 2.675 20 0 DFADRP COc1cc(C[NH2+][C@H]2CC[C@H](C[NH3+])C2)c(SC)cc1OC ZINC000415028069 295848540 /nfs/dbraw/zinc/84/85/40/295848540.db2.gz CCOWAVDFGQKTAY-AAEUAGOBSA-N 2 0 310.463 2.643 20 0 DFADRP Cn1cc(C[NH2+][C@@H]2CC[C@@H](C[NH3+])C2)c(-c2ccccc2Cl)n1 ZINC000415035557 295849521 /nfs/dbraw/zinc/84/95/21/295849521.db2.gz KUIBYOHEHKPJTH-TZMCWYRMSA-N 2 0 318.852 2.958 20 0 DFADRP [NH3+]C[C@H]1CC[C@H]([NH2+]Cc2cccc(OCc3ccccn3)c2)C1 ZINC000415043891 295850549 /nfs/dbraw/zinc/85/05/49/295850549.db2.gz SEPBTUZVNKEDKO-RDJZCZTQSA-N 2 0 311.429 2.878 20 0 DFADRP COc1ccc(C[NH2+][C@H](C)CCC[NH3+])cc1Br ZINC000415064896 295853787 /nfs/dbraw/zinc/85/37/87/295853787.db2.gz QNVFGTJKMXZWPQ-SNVBAGLBSA-N 2 0 301.228 2.675 20 0 DFADRP COc1ccc(C[NH2+]C[C@@]2(C)CC[NH2+]C2)c(C(F)(F)F)c1 ZINC000415079050 295855201 /nfs/dbraw/zinc/85/52/01/295855201.db2.gz HKVBPFDRYCVWSI-AWEZNQCLSA-N 2 0 302.340 2.803 20 0 DFADRP CCc1nn(C)c(CC)c1C[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000415078560 295855305 /nfs/dbraw/zinc/85/53/05/295855305.db2.gz GODLZUGTSRUWEI-RRQGHBQHSA-N 2 0 304.482 2.555 20 0 DFADRP C[C@H]1C[C@@H](C[NH2+]C2CCN(Cc3ccccc3)CC2)CC[NH2+]1 ZINC000415084110 295855927 /nfs/dbraw/zinc/85/59/27/295855927.db2.gz QZTDJWSNIQAPCZ-WMZOPIPTSA-N 2 0 301.478 2.629 20 0 DFADRP COc1ccc(C[NH2+][C@H]2CCC[NH2+]CC2)c(C(F)(F)F)c1 ZINC000415087146 295856483 /nfs/dbraw/zinc/85/64/83/295856483.db2.gz UBPXUZFTCYRUMU-LBPRGKRZSA-N 2 0 302.340 2.946 20 0 DFADRP COCCOc1cc(C)ccc1C[NH2+]C1CCC(C[NH3+])CC1 ZINC000415083404 295855998 /nfs/dbraw/zinc/85/59/98/295855998.db2.gz NKAIUVMEZLAWEJ-UHFFFAOYSA-N 2 0 306.450 2.627 20 0 DFADRP CC(C)CC[C@H]([NH2+]C[C@@H]1CCCN(C(=O)C[NH3+])C1)C(C)(C)C ZINC000415082828 295856008 /nfs/dbraw/zinc/85/60/08/295856008.db2.gz MLNORYHBGOZRJW-HOTGVXAUSA-N 2 0 311.514 2.624 20 0 DFADRP c1ccc(OCC[NH+]2CCC(OCC[NH+]3CCCC3)CC2)cc1 ZINC000173962979 198273799 /nfs/dbraw/zinc/27/37/99/198273799.db2.gz VWXZKHZPJMUOQK-UHFFFAOYSA-N 2 0 318.461 2.642 20 0 DFADRP C[N@@H+]1CCCN(CCC[NH2+]Cc2csc(C(C)(C)C)n2)CC1 ZINC000105476103 398693488 /nfs/dbraw/zinc/69/34/88/398693488.db2.gz WMMMNMIWPQUROK-UHFFFAOYSA-N 2 0 324.538 2.558 20 0 DFADRP CC[NH+]1CCN(c2ccc(N[C@H](C)[C@@H]3CC[NH2+]C3)c(C)c2)CC1 ZINC000415111437 295859340 /nfs/dbraw/zinc/85/93/40/295859340.db2.gz BZFGUFOKHAIRPT-IAGOWNOFSA-N 2 0 316.493 2.547 20 0 DFADRP Cc1cc(F)ccc1C[NH+]1CCC([C@@H]2C[C@H]([NH3+])CCO2)CC1 ZINC000415117862 295860168 /nfs/dbraw/zinc/86/01/68/295860168.db2.gz CMBVRGAAEONMJG-MSOLQXFVSA-N 2 0 306.425 2.852 20 0 DFADRP COc1ccc(C)cc1C[NH+]1CCC([C@@H]2OCCC[C@H]2[NH3+])CC1 ZINC000415119909 295860954 /nfs/dbraw/zinc/86/09/54/295860954.db2.gz FLVGXWHRYKXZSB-MJGOQNOKSA-N 2 0 318.461 2.722 20 0 DFADRP COCCCOc1cccc(C[NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)c1 ZINC000174517480 198345842 /nfs/dbraw/zinc/34/58/42/198345842.db2.gz PDQRMTIQJIKFNS-NVXWUHKLSA-N 2 0 306.450 2.674 20 0 DFADRP Cc1ccc(CCC[NH+]2CCC([C@H]3C[C@@H]([NH3+])CCO3)CC2)cn1 ZINC000415130011 295862578 /nfs/dbraw/zinc/86/25/78/295862578.db2.gz WEXJEZPRZOHVLE-RBUKOAKNSA-N 2 0 317.477 2.541 20 0 DFADRP CC(C)[NH+]1CCN([C@H]2CC[N@H+](CCC(C)(C)C3CC3)C2)CC1 ZINC000593959132 398709018 /nfs/dbraw/zinc/70/90/18/398709018.db2.gz GZHOKAKZQDRHME-SFHVURJKSA-N 2 0 307.526 2.913 20 0 DFADRP CC[NH+](CC)[C@@H](C(=O)NC[C@@H]1CCC[N@H+](C)C1)c1ccccc1 ZINC000108462045 398711454 /nfs/dbraw/zinc/71/14/54/398711454.db2.gz DXHKNUDUYVZQLX-FUHWJXTLSA-N 2 0 317.477 2.528 20 0 DFADRP C[NH+](C)CCN1CCC([NH2+][C@H]2CCC[C@H](C(F)(F)F)C2)CC1 ZINC000129250254 283007444 /nfs/dbraw/zinc/00/74/44/283007444.db2.gz KSXMOQJILHDXOI-ZFWWWQNUSA-N 2 0 321.431 2.723 20 0 DFADRP CC[NH+]1CCN([C@H](C)C[NH2+][C@@H]2CCC[C@H](C(F)(F)F)C2)CC1 ZINC000129291709 283009483 /nfs/dbraw/zinc/00/94/83/283009483.db2.gz NTUGEOQJMWFLDW-QLFBSQMISA-N 2 0 321.431 2.723 20 0 DFADRP COCC[N@H+](C)CCCC1CC[NH+](Cc2cnoc2C)CC1 ZINC000129617163 283022283 /nfs/dbraw/zinc/02/22/83/283022283.db2.gz SWGWKMIUPSVXTC-UHFFFAOYSA-N 2 0 309.454 2.553 20 0 DFADRP C[C@@H]1CCCC[N@@H+]1Cc1ccc(NC(=O)[C@@H]2CC[NH+](C)C2)cc1 ZINC000591097018 398726259 /nfs/dbraw/zinc/72/62/59/398726259.db2.gz LUOQRRZGNQVRKZ-NVXWUHKLSA-N 2 0 315.461 2.951 20 0 DFADRP OC[C@H](Cc1ccccc1)[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000130254904 283043492 /nfs/dbraw/zinc/04/34/92/283043492.db2.gz WHVCDCUGNHDOIF-IBGZPJMESA-N 2 0 316.489 2.977 20 0 DFADRP C[C@H]1CCCC[N@@H+]1Cc1ccc(NC(=O)C[C@@H]2CC[NH2+]C2)cc1 ZINC000130382234 283047663 /nfs/dbraw/zinc/04/76/63/283047663.db2.gz UEKKCVCDVJOAOV-RDJZCZTQSA-N 2 0 315.461 2.999 20 0 DFADRP C[C@@H]([NH3+])[C@H]1CCCCN1C(=O)Nc1ccccc1CC[NH+](C)C ZINC000415569866 295891567 /nfs/dbraw/zinc/89/15/67/295891567.db2.gz LLHQKVSWAVNDSO-RHSMWYFYSA-N 2 0 318.465 2.524 20 0 DFADRP C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CCC[N@H+](CCn2ccnc2)C1 ZINC000132066858 283109118 /nfs/dbraw/zinc/10/91/18/283109118.db2.gz TVPFOVOQMBNWCQ-CABCVRRESA-N 2 0 322.453 2.508 20 0 DFADRP C[NH2+]Cc1ccc(NC(=O)NC[C@@H](C)[NH+]2CCC(C)CC2)cc1 ZINC000415970774 295907438 /nfs/dbraw/zinc/90/74/38/295907438.db2.gz IOKMGKABAJEKSI-OAHLLOKOSA-N 2 0 318.465 2.648 20 0 DFADRP Cc1ccc2c(c1)[C@H]([NH2+]C[C@@H](C(C)C)N1CC[NH+](C)CC1)CC2 ZINC000132518009 283122064 /nfs/dbraw/zinc/12/20/64/283122064.db2.gz XOZLATMZEATSAX-UXHICEINSA-N 2 0 315.505 2.844 20 0 DFADRP C[N@@H+]1CC[C@H]([NH2+]C[C@]2(C)OCCc3sccc32)[C@@H]2CCC[C@H]21 ZINC000353630061 283139017 /nfs/dbraw/zinc/13/90/17/283139017.db2.gz LTXXMOADTCSZPD-SCNOPHJPSA-N 2 0 320.502 2.998 20 0 DFADRP CC[NH+](CC)CC1CC[NH+](CC(=O)N(C(C)C)C(C)C)CC1 ZINC000047976700 398766948 /nfs/dbraw/zinc/76/69/48/398766948.db2.gz WEBWMXFRPLRZDK-UHFFFAOYSA-N 2 0 311.514 2.686 20 0 DFADRP CC(C)CCn1cccc1C[NH2+]CCCN1CCC[N@H+](C)CC1 ZINC000119092541 398774018 /nfs/dbraw/zinc/77/40/18/398774018.db2.gz FMJSTCXMGULHLD-UHFFFAOYSA-N 2 0 320.525 2.651 20 0 DFADRP CCC[N@H+](C)C[C@@H]1CC[NH+](CCC(=O)Nc2ccccc2F)C1 ZINC000081569794 192294075 /nfs/dbraw/zinc/29/40/75/192294075.db2.gz OZEPVRSIUAYHIY-HNNXBMFYSA-N 2 0 321.440 2.818 20 0 DFADRP CC[NH+](CC)CCC[C@@H](C)NC(=O)C[C@H]([NH3+])c1ccccc1 ZINC000236854774 202038373 /nfs/dbraw/zinc/03/83/73/202038373.db2.gz UGXHRFZLDGPMKE-WBVHZDCISA-N 2 0 305.466 2.703 20 0 DFADRP CC[NH+](CC)[C@H](C(=O)NCC[C@H]1CCC[NH2+]C1)c1ccccc1 ZINC000236865570 202043721 /nfs/dbraw/zinc/04/37/21/202043721.db2.gz AGRLGVQOBWNSQQ-AEFFLSMTSA-N 2 0 317.477 2.575 20 0 DFADRP CC[NH+](CC)[C@H](CNC(=O)C[C@@H]([NH3+])c1ccccc1)CC(C)C ZINC000236877107 202048662 /nfs/dbraw/zinc/04/86/62/202048662.db2.gz YMZXUJDFVGSZMY-ZWKOTPCHSA-N 2 0 319.493 2.949 20 0 DFADRP CC[NH+](CC)[C@H](CNC(=O)[C@@]1(C)CCC[NH2+]C1)c1ccccc1 ZINC000236882767 202052011 /nfs/dbraw/zinc/05/20/11/202052011.db2.gz HCFHWTFCBDXETO-MJGOQNOKSA-N 2 0 317.477 2.575 20 0 DFADRP CCC[C@H]([NH3+])C(=O)Nc1ccc(C[NH+]2CCSCC2)cc1C ZINC000236948100 202087896 /nfs/dbraw/zinc/08/78/96/202087896.db2.gz MXFVKNHBUXLYTJ-HNNXBMFYSA-N 2 0 321.490 2.610 20 0 DFADRP CCC[C@@H]([NH3+])C(=O)NC[C@@H](c1cccs1)[NH+]1CCC(C)CC1 ZINC000236959934 202095720 /nfs/dbraw/zinc/09/57/20/202095720.db2.gz ISRLTRDSLSNRKQ-CABCVRRESA-N 2 0 323.506 2.765 20 0 DFADRP CCC[C@@H]([NH3+])C(=O)NCc1ccccc1C[NH+]1CCCCCC1 ZINC000236966877 202098489 /nfs/dbraw/zinc/09/84/89/202098489.db2.gz GSTFHHCCYIJYGR-GOSISDBHSA-N 2 0 317.477 2.806 20 0 DFADRP CC[C@@H](C)[C@@H]([NH3+])C(=O)Nc1ccc(CC[NH+]2CCCC2)cc1 ZINC000237011927 202121949 /nfs/dbraw/zinc/12/19/49/202121949.db2.gz FWUNJAHZIUKYLW-RHSMWYFYSA-N 2 0 303.450 2.637 20 0 DFADRP CC[NH+](CC)[C@@H](C(=O)N1CCC[C@@H](C[NH2+]C)C1)c1ccccc1 ZINC000237039861 202132281 /nfs/dbraw/zinc/13/22/81/202132281.db2.gz KSSPIZBZTJAVRH-FUHWJXTLSA-N 2 0 317.477 2.528 20 0 DFADRP CC[C@@H](C)[C@@H]([NH3+])C(=O)Nc1ccc2ccn(CC[NH+](C)C)c2c1 ZINC000237017668 202123941 /nfs/dbraw/zinc/12/39/41/202123941.db2.gz QAUWXQXRHZCIEI-CXAGYDPISA-N 2 0 316.449 2.515 20 0 DFADRP C[NH+](C)Cc1cccc(NC(=O)[C@@H]2C[C@H]3CCCC[C@@H]3[NH2+]2)c1 ZINC000237074565 202144586 /nfs/dbraw/zinc/14/45/86/202144586.db2.gz ZRSWQSCREHMQKV-PVAVHDDUSA-N 2 0 301.434 2.607 20 0 DFADRP CCC[NH+](CCC)CCCC(=O)N1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000371229647 283208932 /nfs/dbraw/zinc/20/89/32/283208932.db2.gz JTFGROOVCQOTAA-ROUUACIJSA-N 2 0 323.525 2.879 20 0 DFADRP C[NH2+]CCCC(=O)NCc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000237185108 202180458 /nfs/dbraw/zinc/18/04/58/202180458.db2.gz ZCDKUTOPPCETQL-UHFFFAOYSA-N 2 0 317.477 2.678 20 0 DFADRP CC[NH+](CC)Cc1ccc(C[NH2+][C@@H](C)Cn2cccn2)cc1 ZINC000137966653 283255773 /nfs/dbraw/zinc/25/57/73/283255773.db2.gz BHHIMLAESVRKQM-INIZCTEOSA-N 2 0 300.450 2.903 20 0 DFADRP C[C@H]1C[C@H]([NH3+])CCN1Cc1ccc(F)cc1Br ZINC000124571901 398803497 /nfs/dbraw/zinc/80/34/97/398803497.db2.gz QJGKSELOZAMDSF-JOYOIKCWSA-N 2 0 301.203 2.900 20 0 DFADRP CCO[C@@H](CC[NH+](C)C)C[NH2+]Cc1cccc2c1OC(C)(C)C2 ZINC000150998909 283273723 /nfs/dbraw/zinc/27/37/23/283273723.db2.gz XDWLIAPLNPKWRF-KRWDZBQOSA-N 2 0 320.477 2.847 20 0 DFADRP CC[N@@H+]1CC[C@H](C[NH2+][C@H]2CCCc3ccc(C(=O)OC)cc32)C1 ZINC000594493388 398808878 /nfs/dbraw/zinc/80/88/78/398808878.db2.gz HLUNJUORJDLXLX-KDOFPFPSSA-N 2 0 316.445 2.782 20 0 DFADRP COC(=O)c1ccc2c(c1)[C@H]([NH2+]CC1=CC[N@H+](C)CC1)CCC2 ZINC000594515472 398814070 /nfs/dbraw/zinc/81/40/70/398814070.db2.gz VQUPVKOUMOPIJD-GOSISDBHSA-N 2 0 314.429 2.702 20 0 DFADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@H](C(=O)OC(C)(C)C)C(C)C)[C@H](C)C1 ZINC000594520571 398815492 /nfs/dbraw/zinc/81/54/92/398815492.db2.gz JLUILCWAVPANFE-PMPSAXMXSA-N 2 0 312.498 2.920 20 0 DFADRP Cc1nn(-c2ccccc2)c(C)c1CN1CC[C@@H](C[NH+](C)C)C1 ZINC000179632987 199067738 /nfs/dbraw/zinc/06/77/38/199067738.db2.gz GCSFUUKQEDGKLR-KRWDZBQOSA-N 2 0 312.461 2.873 20 0 DFADRP C[NH+]1CCN(c2ccc(C[NH2+]C3CCCCCC3)cn2)CC1 ZINC000075759795 398821406 /nfs/dbraw/zinc/82/14/06/398821406.db2.gz WUGZZBFIBRVGQQ-UHFFFAOYSA-N 2 0 302.466 2.646 20 0 DFADRP CCC[C@H](C)C[NH2+]Cc1ccc(C(=O)NCC[NH+](C)C)cc1 ZINC000180048334 199112286 /nfs/dbraw/zinc/11/22/86/199112286.db2.gz ATJFIQPOYWZWHL-HNNXBMFYSA-N 2 0 305.466 2.504 20 0 DFADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@H]1CC[C@@H](O)C1 ZINC000276686380 213046117 /nfs/dbraw/zinc/04/61/17/213046117.db2.gz UFBMTKVIIXVCSU-LULLPPNCSA-N 2 0 302.462 2.648 20 0 DFADRP CC[C@@H]([NH3+])C(=O)NCc1ccccc1C[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000130321572 398843947 /nfs/dbraw/zinc/84/39/47/398843947.db2.gz RFMXQEBOQLZMEN-RLFYNMQTSA-N 2 0 317.477 2.518 20 0 DFADRP CCOC(=O)c1ccc(C[N@@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)o1 ZINC000594736828 398852689 /nfs/dbraw/zinc/85/26/89/398852689.db2.gz WNRMVDHUTRVZQD-OAHLLOKOSA-N 2 0 320.433 2.668 20 0 DFADRP CCOC(=O)c1ccc(C[NH+]2CCC([C@@H]3CCC[NH2+]C3)CC2)o1 ZINC000594735201 398852211 /nfs/dbraw/zinc/85/22/11/398852211.db2.gz HOOKGGNZMTWMGE-OAHLLOKOSA-N 2 0 320.433 2.668 20 0 DFADRP CCC[NH+]1CCC(Nc2cc(CSCCO)ccn2)CC1 ZINC000132857544 398859151 /nfs/dbraw/zinc/85/91/51/398859151.db2.gz UUBGWJKLVWMOGP-UHFFFAOYSA-N 2 0 309.479 2.593 20 0 DFADRP C[C@@H](CC(=O)N1CC[NH+](CCC(C)(C)C)CC1)C1CC[NH2+]CC1 ZINC000237332899 202234677 /nfs/dbraw/zinc/23/46/77/202234677.db2.gz PGJAFFGNVNBLFF-INIZCTEOSA-N 2 0 323.525 2.593 20 0 DFADRP COC(=O)[C@@H]1C[C@@H]1[C@@H](C)[NH2+]Cc1ccc(C[NH+]2CCCC2)cc1 ZINC000594920080 398870775 /nfs/dbraw/zinc/87/07/75/398870775.db2.gz RQEOONQSHYXRIF-ZTFGCOKTSA-N 2 0 316.445 2.570 20 0 DFADRP CCC(CC)[C@H](C[NH2+][C@H](C)[C@H]1C[C@@H]1C(=O)OC)[NH+]1CCCC1 ZINC000594914179 398869902 /nfs/dbraw/zinc/86/99/02/398869902.db2.gz DZKUOULZQMCMKH-SIXLDLHFSA-N 2 0 310.482 2.674 20 0 DFADRP COC(=O)[C@@H]1C[C@H]1[C@H](C)[NH2+]CC1CC[NH+](CCC(C)C)CC1 ZINC000594933623 398875228 /nfs/dbraw/zinc/87/52/28/398875228.db2.gz AJYUIPBEKXQLMJ-BHYGNILZSA-N 2 0 310.482 2.532 20 0 DFADRP COC(=O)[C@@H]1C[C@H]1[C@@H](C)[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000594935632 398875429 /nfs/dbraw/zinc/87/54/29/398875429.db2.gz GSAOADOEHDIRFT-XOKHGSTOSA-N 2 0 308.466 2.571 20 0 DFADRP O=C(NC1CCCCC1)C1CC[NH+](CCC2CC[NH2+]CC2)CC1 ZINC000140719814 398891992 /nfs/dbraw/zinc/89/19/92/398891992.db2.gz TXLITCZWLBJGFG-UHFFFAOYSA-N 2 0 321.509 2.537 20 0 DFADRP Cc1ncsc1CC[NH+]1CCC(OCC[NH+]2CCCC2)CC1 ZINC000173958503 283391765 /nfs/dbraw/zinc/39/17/65/283391765.db2.gz XVDXUSYMWYTHGU-UHFFFAOYSA-N 2 0 323.506 2.571 20 0 DFADRP Cc1nc(C)c(C[NH+]2CCC(OCC[NH+]3CCCC3)CC2)s1 ZINC000173954699 283391937 /nfs/dbraw/zinc/39/19/37/283391937.db2.gz DEBLSYOSYUHMIR-UHFFFAOYSA-N 2 0 323.506 2.837 20 0 DFADRP C[C@H]([NH2+]CC1(N2CCCCC2)CC[NH+](C)CC1)c1ccccn1 ZINC000159233069 299283285 /nfs/dbraw/zinc/28/32/85/299283285.db2.gz KKGVLARPYSSWCB-KRWDZBQOSA-N 2 0 316.493 2.683 20 0 DFADRP C[C@@H]([NH2+][C@@H](C)CCN1CC[NH+](C)CC1)c1ccc(F)c(F)c1 ZINC000186592981 199978867 /nfs/dbraw/zinc/97/88/67/199978867.db2.gz XMWVAKBOWIFHIP-UONOGXRCSA-N 2 0 311.420 2.641 20 0 DFADRP CCOC(=O)c1[nH]c(C)c(C[NH2+]CC[C@H]2CCC[N@H+](C)C2)c1C ZINC000598981627 398902259 /nfs/dbraw/zinc/90/22/59/398902259.db2.gz PKWZXZRKLSVFSL-OAHLLOKOSA-N 2 0 321.465 2.630 20 0 DFADRP CC[C@H]([NH2+]CC1CC[NH+](CC2CC2)CC1)C1(C(=O)OC)CCC1 ZINC000595103597 398906118 /nfs/dbraw/zinc/90/61/18/398906118.db2.gz MLDMMFLEJNMVMZ-KRWDZBQOSA-N 2 0 322.493 2.820 20 0 DFADRP C[C@H]1C[C@@H](NC(=O)[C@@H]([NH3+])C(C)(C)C)CC[N@@H+]1Cc1ccccc1 ZINC000237540198 202275702 /nfs/dbraw/zinc/27/57/02/202275702.db2.gz SYCSQSIQBXWUIU-BHYGNILZSA-N 2 0 317.477 2.529 20 0 DFADRP C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)C2([NH3+])CCCCC2)C1 ZINC000237545008 202277937 /nfs/dbraw/zinc/27/79/37/202277937.db2.gz RTUXHWGLVIKGPO-HUUCEWRRSA-N 2 0 309.498 2.521 20 0 DFADRP CC(C)[N@H+](C)Cc1ccccc1CNC(=O)c1coc(C[NH3+])c1 ZINC000188062015 200188339 /nfs/dbraw/zinc/18/83/39/200188339.db2.gz PFVUCGHQKMCJPF-UHFFFAOYSA-N 2 0 315.417 2.509 20 0 DFADRP C[C@H]1C[C@H](NC(=O)c2ccc(C[NH3+])cc2)C[N@@H+]1Cc1ccccc1 ZINC000237566039 202286058 /nfs/dbraw/zinc/28/60/58/202286058.db2.gz CDRGRKDFEZUIRS-KXBFYZLASA-N 2 0 323.440 2.538 20 0 DFADRP C[C@H]1CCC[N@H+](Cc2ccc(NC(=O)[C@@H]3CCC[NH2+]3)cc2)C1 ZINC000237675970 202325013 /nfs/dbraw/zinc/32/50/13/202325013.db2.gz ZEABPLVSIGIZLD-YOEHRIQHSA-N 2 0 301.434 2.609 20 0 DFADRP CC[C@@H](CO)[NH2+][C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000188667035 200283608 /nfs/dbraw/zinc/28/36/08/200283608.db2.gz JKESBSOVORLJMF-CADBVGFASA-N 2 0 302.462 2.648 20 0 DFADRP CC(C)[NH2+]CCCNC(=O)[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000151817476 398927799 /nfs/dbraw/zinc/92/77/99/398927799.db2.gz VZVSTKYBTAIIIS-GOSISDBHSA-N 2 0 317.477 2.545 20 0 DFADRP C[NH+]1CCN(CCC[NH2+][C@@H]2CC[C@H](Cc3ccccc3)C2)CC1 ZINC000189008219 200334970 /nfs/dbraw/zinc/33/49/70/200334970.db2.gz URHFEYYDTBGZOI-WOJBJXKFSA-N 2 0 315.505 2.625 20 0 DFADRP C[NH+](C)C1CCN(CC[NH2+]Cc2ccc(Cl)cc2F)CC1 ZINC000189373051 200390142 /nfs/dbraw/zinc/39/01/42/200390142.db2.gz PQEMZEYTCIGQTI-UHFFFAOYSA-N 2 0 313.848 2.595 20 0 DFADRP CC[NH+]1CCN([C@@H](C)C[NH2+][C@H](C)[C@@H]2C[C@H]2c2cccs2)CC1 ZINC000417324601 296009860 /nfs/dbraw/zinc/00/98/60/296009860.db2.gz PYJRLPNTUZZSPU-VVLHAWIVSA-N 2 0 321.534 2.856 20 0 DFADRP C[C@H]([NH2+]C[C@H](O)C[NH+]1CCCCC1)[C@@H]1C[C@H]1c1cccs1 ZINC000417339468 296011829 /nfs/dbraw/zinc/01/18/29/296011829.db2.gz LCTSNDLPJNBOMS-YHUYYLMFSA-N 2 0 308.491 2.677 20 0 DFADRP C[C@H]1C[C@H](NCC2([NH+](C)C)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000417351464 296012849 /nfs/dbraw/zinc/01/28/49/296012849.db2.gz CRLWPTIOGWFUFS-FUHWJXTLSA-N 2 0 301.478 2.723 20 0 DFADRP CN(C)C1(C[NH2+][C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)CC1 ZINC000417351451 296012886 /nfs/dbraw/zinc/01/28/86/296012886.db2.gz CPTZFKCDMIMEIG-GBESFXJTSA-N 2 0 313.489 2.581 20 0 DFADRP C[C@@]1(O)C[C@H]([NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC000417392411 296016319 /nfs/dbraw/zinc/01/63/19/296016319.db2.gz BJJNMTBDNFIRNK-QQTVYSQJSA-N 2 0 300.446 2.685 20 0 DFADRP C[C@@H]([NH3+])[C@@H](C)C(=O)NCC1([NH2+][C@@H](C)c2ccccc2)CCCC1 ZINC000262521721 296021501 /nfs/dbraw/zinc/02/15/01/296021501.db2.gz IQWNWLNNMBFLOD-OAGGEKHMSA-N 2 0 317.477 2.750 20 0 DFADRP CCOC(=O)CCCC[NH+]1CCC([NH2+]Cc2ccccc2)CC1 ZINC000595509225 398953745 /nfs/dbraw/zinc/95/37/45/398953745.db2.gz DOTPXNXLVUFKEU-UHFFFAOYSA-N 2 0 318.461 2.974 20 0 DFADRP CC[NH+](CC)[C@H](CNC(=O)[C@@H]1CCCC[N@@H+]1C)c1ccsc1 ZINC000599310004 398952375 /nfs/dbraw/zinc/95/23/75/398952375.db2.gz BVWFWLZARFKFSV-JKSUJKDBSA-N 2 0 323.506 2.732 20 0 DFADRP CC[NH+](CC)[C@H](CNC(=O)[C@H]1CCCC[N@@H+]1C)c1ccsc1 ZINC000599310003 398952404 /nfs/dbraw/zinc/95/24/04/398952404.db2.gz BVWFWLZARFKFSV-HZPDHXFCSA-N 2 0 323.506 2.732 20 0 DFADRP COc1ccc(C[NH2+]CC2=CC[N@H+](C)CC2)c(Cl)c1OC ZINC000271925875 209330706 /nfs/dbraw/zinc/33/07/06/209330706.db2.gz VMMFEUQJMDBVMX-UHFFFAOYSA-N 2 0 310.825 2.709 20 0 DFADRP Cc1cc(CN(C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)ncn1 ZINC000292584136 223160902 /nfs/dbraw/zinc/16/09/02/223160902.db2.gz UQMHUOLRNHBRLO-SFHVURJKSA-N 2 0 310.445 2.739 20 0 DFADRP Cc1cc(CN(C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)ncn1 ZINC000292584134 223161011 /nfs/dbraw/zinc/16/10/11/223161011.db2.gz UQMHUOLRNHBRLO-GOSISDBHSA-N 2 0 310.445 2.739 20 0 DFADRP C[C@@H]([NH3+])c1ccc(NC(=O)C2(c3ccccc3)CC[NH2+]CC2)cc1 ZINC000178411493 296030494 /nfs/dbraw/zinc/03/04/94/296030494.db2.gz YRROPWQTZZSWCK-OAHLLOKOSA-N 2 0 323.440 2.966 20 0 DFADRP Cn1ccnc1CN1CCCC[C@@H]1[C@@H](C[NH3+])Cc1ccccc1 ZINC000472344773 299324526 /nfs/dbraw/zinc/32/45/26/299324526.db2.gz LSKKLEOWECOOFH-QZTJIDSGSA-N 2 0 312.461 2.592 20 0 DFADRP c1cc(CCC[N@@H+]2CC[C@@H](C[NH+]3CCCC3)C2)cc2c1OCC2 ZINC000193253638 201014564 /nfs/dbraw/zinc/01/45/64/201014564.db2.gz JBQPVWOSLVUZCO-SFHVURJKSA-N 2 0 314.473 2.972 20 0 DFADRP C[C@H]([NH3+])CCC(=O)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000193292699 201022058 /nfs/dbraw/zinc/02/20/58/201022058.db2.gz YXYNLDFURSGQHX-ZDUSSCGKSA-N 2 0 323.868 2.548 20 0 DFADRP C[C@@H]([NH3+])CCC(=O)NCc1ccccc1C[N@@H+]1CCCC[C@H]1C ZINC000193295633 201022638 /nfs/dbraw/zinc/02/26/38/201022638.db2.gz DXOMTZWASVCMBY-HZPDHXFCSA-N 2 0 317.477 2.805 20 0 DFADRP C[C@@H]([NH3+])CCC(=O)NCc1ccccc1C[N@@H+]1CCCC[C@@H]1C ZINC000193295643 201022671 /nfs/dbraw/zinc/02/26/71/201022671.db2.gz DXOMTZWASVCMBY-CVEARBPZSA-N 2 0 317.477 2.805 20 0 DFADRP C[C@@H]([NH3+])CCC(=O)NC[C@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC000193298166 201023433 /nfs/dbraw/zinc/02/34/33/201023433.db2.gz VVPIMTGYTMQCNJ-CZUORRHYSA-N 2 0 323.868 2.721 20 0 DFADRP C[C@@H]([NH3+])CCC(=O)NCc1cccc(C[NH+]2CCC(C)CC2)c1 ZINC000193306100 201025517 /nfs/dbraw/zinc/02/55/17/201025517.db2.gz OTOIIYDDZPQFRN-MRXNPFEDSA-N 2 0 317.477 2.662 20 0 DFADRP C[C@H]([NH3+])CCC(=O)NCc1cccc(C[NH+]2CCC(C)CC2)c1 ZINC000193306113 201026056 /nfs/dbraw/zinc/02/60/56/201026056.db2.gz OTOIIYDDZPQFRN-INIZCTEOSA-N 2 0 317.477 2.662 20 0 DFADRP C[NH+](C)CCC1CC[NH+](C[C@H](O)c2cc(F)ccc2F)CC1 ZINC000056522039 398976150 /nfs/dbraw/zinc/97/61/50/398976150.db2.gz FJADNCMJJYQZJL-KRWDZBQOSA-N 2 0 312.404 2.662 20 0 DFADRP C[NH+](C)CCC1CC[NH+](C[C@@H](O)c2c(F)cccc2F)CC1 ZINC000056522075 398976982 /nfs/dbraw/zinc/97/69/82/398976982.db2.gz SPXFZTLMITZZJR-MRXNPFEDSA-N 2 0 312.404 2.662 20 0 DFADRP C[C@H]([NH2+]CC1=CC[N@H+](C)CC1)c1ccc(OCC[NH+](C)C)cc1 ZINC000271870193 209283582 /nfs/dbraw/zinc/28/35/82/209283582.db2.gz MJUGLTAGJMTCCI-INIZCTEOSA-N 3 0 317.477 2.540 20 0 DFADRP COc1ccc(C[NH2+]CC2=CC[N@H+](C)CC2)cc1OC(F)F ZINC000271868229 209281473 /nfs/dbraw/zinc/28/14/73/209281473.db2.gz WVCGIZLSCHKVNR-UHFFFAOYSA-N 2 0 312.360 2.648 20 0 DFADRP C[C@@H](CC[NH2+]C1CCN(CC[NH+](C)C)CC1)c1ccccc1 ZINC000194200420 201197210 /nfs/dbraw/zinc/19/72/10/201197210.db2.gz WCWYWPYXSLOEEO-KRWDZBQOSA-N 2 0 303.494 2.796 20 0 DFADRP Cc1ccccc1-n1nccc1CN1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000292897723 223297249 /nfs/dbraw/zinc/29/72/49/223297249.db2.gz ZPMXXCNFKVCGMN-IBGZPJMESA-N 2 0 310.445 2.708 20 0 DFADRP CC1(C)Cc2cccc(C[NH+]3CCC4(CC[NH2+]C4)CC3)c2O1 ZINC000167461452 398995462 /nfs/dbraw/zinc/99/54/62/398995462.db2.gz GUAJZUIAYXMORE-UHFFFAOYSA-N 2 0 300.446 2.976 20 0 DFADRP C[C@@H]([NH2+]CC1=CC[N@H+](C)CC1)c1cccc(OCC[NH+](C)C)c1 ZINC000271845448 209263411 /nfs/dbraw/zinc/26/34/11/209263411.db2.gz HMYKPLLQQBTFAX-MRXNPFEDSA-N 3 0 317.477 2.540 20 0 DFADRP C[C@H](CC(=O)N[C@H](CCC[NH3+])c1ccccc1)[C@@H]1CCC[NH2+]C1 ZINC000417823892 296055047 /nfs/dbraw/zinc/05/50/47/296055047.db2.gz ASZLSMPBIJWUFT-KBAYOESNSA-N 2 0 317.477 2.609 20 0 DFADRP CC(C)(C(=O)Nc1ccc2c(c1)C[NH2+]C2)[C@H]([NH3+])c1ccccc1 ZINC000417831749 296055770 /nfs/dbraw/zinc/05/57/70/296055770.db2.gz KTKWKWIUHOPJMI-QGZVFWFLSA-N 2 0 309.413 2.955 20 0 DFADRP CC(C)(C(=O)NC[C@H]1[NH2+]CCCC1(C)C)[C@H]([NH3+])c1ccccc1 ZINC000417834469 296055956 /nfs/dbraw/zinc/05/59/56/296055956.db2.gz VHYSSYFJRLSVKB-HZPDHXFCSA-N 2 0 317.477 2.607 20 0 DFADRP CCC[N@@H+](CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C)CC(C)C ZINC000475016775 299340882 /nfs/dbraw/zinc/34/08/82/299340882.db2.gz IDWLGHMXSQFLLW-SFHVURJKSA-N 2 0 319.493 2.774 20 0 DFADRP CC(C)[C@@H]1CCCC[C@H]1[NH2+]CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000475154702 299344463 /nfs/dbraw/zinc/34/44/63/299344463.db2.gz FEIGDCRUICGJPD-ZWKOTPCHSA-N 2 0 321.509 2.534 20 0 DFADRP C[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCCN(C(=O)CC[C@H]2CCC[NH2+]C2)C1 ZINC000621659622 399012789 /nfs/dbraw/zinc/01/27/89/399012789.db2.gz NWVABMFTNVCVAD-XMTFNYHQSA-N 2 0 321.509 2.630 20 0 DFADRP O[C@@H](Cc1ccc(F)cc1)C[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000292951926 223324198 /nfs/dbraw/zinc/32/41/98/223324198.db2.gz CADROBXZFHUVDK-MOPGFXCFSA-N 2 0 320.452 2.679 20 0 DFADRP CCn1cncc1C[N@H+](C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000418016433 296071623 /nfs/dbraw/zinc/07/16/23/296071623.db2.gz ZVXPRTIZZMOZCO-UHFFFAOYSA-N 2 0 313.449 2.646 20 0 DFADRP CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H](C)[NH2+]C(C)(C)CC ZINC000475925073 299350989 /nfs/dbraw/zinc/35/09/89/299350989.db2.gz FHMYSUUZLQNAAP-HZPDHXFCSA-N 2 0 311.514 2.924 20 0 DFADRP CC(C)(C)c1ccc(OCCC[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000613553283 399019087 /nfs/dbraw/zinc/01/90/87/399019087.db2.gz XKKUROMSPUDUOU-HOTGVXAUSA-N 2 0 302.462 2.904 20 0 DFADRP CC[N@@H+]1CC[C@H]([NH2+]CCOCc2ccc(OC)cc2)[C@H](C)C1 ZINC000091741193 193099783 /nfs/dbraw/zinc/09/97/83/193099783.db2.gz VXSFIYQFNXBELC-QAPCUYQASA-N 2 0 306.450 2.532 20 0 DFADRP CCO[C@@H]1CCC[NH+](C/C=C\C[N@H+]2CCC[C@@H](OCC)C2)C1 ZINC000606439221 399070056 /nfs/dbraw/zinc/07/00/56/399070056.db2.gz LHFHNXKMGWIFEJ-OSFIAYCASA-N 2 0 310.482 2.544 20 0 DFADRP C[N@H+]1CC=C(C[NH2+]Cc2ccc(Br)c(F)c2)CC1 ZINC000271766488 209195491 /nfs/dbraw/zinc/19/54/91/209195491.db2.gz ALOFRDJVUAGWSD-UHFFFAOYSA-N 2 0 313.214 2.940 20 0 DFADRP Cc1ccc(-c2n[nH]cc2C[NH2+]C[C@@H]2CC[N@@H+](C(C)C)C2)o1 ZINC000058061181 399075844 /nfs/dbraw/zinc/07/58/44/399075844.db2.gz QRUHXRIXXFXWIG-AWEZNQCLSA-N 2 0 302.422 2.798 20 0 DFADRP C[NH+](C)Cc1ccc(NC(=O)CC[C@@H]2CCCC[N@@H+]2C)cc1 ZINC000479450318 299377677 /nfs/dbraw/zinc/37/76/77/299377677.db2.gz UFEGDQFNWNZPSA-KRWDZBQOSA-N 2 0 303.450 2.951 20 0 DFADRP CC[NH+]1CCC([NH2+]CCCc2nc3ccccc3n2C)CC1 ZINC000271754252 209184334 /nfs/dbraw/zinc/18/43/34/209184334.db2.gz YGODPZKLYXLYNH-UHFFFAOYSA-N 2 0 300.450 2.580 20 0 DFADRP O=C(N[C@@H]1CCC[N@@H+](C2CCCCC2)C1)C12CCC[NH+]1CCC2 ZINC000377947372 284025339 /nfs/dbraw/zinc/02/53/39/284025339.db2.gz FSMSGAKLQQEVBM-MRXNPFEDSA-N 2 0 319.493 2.528 20 0 DFADRP COC(=O)[C@@H]1CCCCCC[C@@H]1[NH2+]CC[C@@H]1CCCC[N@@H+]1C ZINC000481442746 299396064 /nfs/dbraw/zinc/39/60/64/299396064.db2.gz XMJCFSUHFYIEHO-BBWFWOEESA-N 2 0 310.482 2.962 20 0 DFADRP CC(C)[NH+]1CCC(N(C)C(=O)[C@@H](C)[C@H]([NH3+])c2ccccc2)CC1 ZINC000261725362 203104082 /nfs/dbraw/zinc/10/40/82/203104082.db2.gz MJDGFTRENPEDNT-YJBOKZPZSA-N 2 0 317.477 2.654 20 0 DFADRP [NH3+][C@@H](CC(=O)Nc1ccc2c(c1F)CC[NH2+]C2)c1ccccc1 ZINC000261734461 203104850 /nfs/dbraw/zinc/10/48/50/203104850.db2.gz NERMCGYKHCACOL-HNNXBMFYSA-N 2 0 313.376 2.500 20 0 DFADRP CC[NH+](CC)Cc1cccc(CNC(=O)[C@@H]2CCC[C@@H]2C[NH3+])c1 ZINC000261793383 203117604 /nfs/dbraw/zinc/11/76/04/203117604.db2.gz QIUZWZWPISIOAG-QZTJIDSGSA-N 2 0 317.477 2.520 20 0 DFADRP CC[NH+](CC)Cc1ccc(CNC(=O)C[C@@H]2CCC[C@H]2[NH3+])cc1 ZINC000261860640 203136474 /nfs/dbraw/zinc/13/64/74/203136474.db2.gz WUCSCAVVYBDEEX-ZWKOTPCHSA-N 2 0 317.477 2.662 20 0 DFADRP COc1cc2c(c(C[N@H+](C)CC3CC[NH+](C)CC3)c1)O[C@@H](C)C2 ZINC000093088643 193202074 /nfs/dbraw/zinc/20/20/74/193202074.db2.gz UWJAGERZWWKOBQ-AWEZNQCLSA-N 2 0 318.461 2.792 20 0 DFADRP C[N@@H+](Cc1c[nH]nc1-c1ccccc1F)CC1CC[NH+](C)CC1 ZINC000093088962 193201655 /nfs/dbraw/zinc/20/16/55/193201655.db2.gz CCMOKXGTNQELFU-UHFFFAOYSA-N 2 0 316.424 2.989 20 0 DFADRP C[C@H]1C[N@H+](CC2(C[NH+]3C[C@@H](C)[C@H](C)[C@@H]3C)COC2)[C@@H](C)[C@H]1C ZINC000419375251 296137633 /nfs/dbraw/zinc/13/76/33/296137633.db2.gz RGBJFOGAWHUZMQ-COZGXFGHSA-N 2 0 308.510 2.956 20 0 DFADRP CC[NH+]1CCN([C@@H]2CC[N@H+](Cc3coc4ccccc34)C2)CC1 ZINC000093132794 193205914 /nfs/dbraw/zinc/20/59/14/193205914.db2.gz VTHVFTNYVIQMIA-QGZVFWFLSA-N 2 0 313.445 2.645 20 0 DFADRP Cc1cnc(CC[NH2+][C@@H]2CCN([C@H](C)c3ccccc3)C2)nc1 ZINC000340108627 284152150 /nfs/dbraw/zinc/15/21/50/284152150.db2.gz JMUGXOAYLFOQFL-SJLPKXTDSA-N 2 0 310.445 2.753 20 0 DFADRP C[N@@H+]1CC[C@H](NCC[NH+]2CCCCC2)C[C@@H]1c1ccccc1 ZINC000340174242 284155261 /nfs/dbraw/zinc/15/52/61/284155261.db2.gz NNKZLGCYNPMEAA-RBUKOAKNSA-N 2 0 301.478 2.897 20 0 DFADRP CC[NH+](CC)[C@H](C(=O)N1CCC[C@H]([C@H](C)[NH3+])C1)c1ccccc1 ZINC000262586360 203341395 /nfs/dbraw/zinc/34/13/95/203341395.db2.gz OVTKYSQZWWITEE-SZMVWBNQSA-N 2 0 317.477 2.655 20 0 DFADRP CCC(CC)(CNC(=O)CCC[NH3+])[NH2+][C@H](C)c1ccccc1 ZINC000262655659 203366447 /nfs/dbraw/zinc/36/64/47/203366447.db2.gz COLPBRVUJKVADO-OAHLLOKOSA-N 2 0 305.466 2.751 20 0 DFADRP CC[C@@H]([NH2+]C[C@@H](C)N1CC[NH+](C)CC1)c1cc(C)ccc1OC ZINC000093405430 193245609 /nfs/dbraw/zinc/24/56/09/193245609.db2.gz JURDPWAJJYFRKQ-SJLPKXTDSA-N 2 0 319.493 2.680 20 0 DFADRP CCC[C@@](C)([NH3+])C(=O)Nc1ccc(OCC[NH+](CC)CC)cc1 ZINC000262720958 203392922 /nfs/dbraw/zinc/39/29/22/203392922.db2.gz ZRQKODQSOOBDNA-GOSISDBHSA-N 2 0 321.465 2.863 20 0 DFADRP COc1ccc(C)cc1[C@H](C)[NH2+]CCN1CC[N@H+](C)C(C)(C)C1 ZINC000282347800 216927592 /nfs/dbraw/zinc/92/75/92/216927592.db2.gz PCNCQWKAVUXMAD-INIZCTEOSA-N 2 0 319.493 2.680 20 0 DFADRP C[NH+](C)CCCC1CC[NH+](Cc2ccc([S@](C)=O)cc2)CC1 ZINC000093688704 193289744 /nfs/dbraw/zinc/28/97/44/193289744.db2.gz AHVLGDUQTMGAGN-JOCHJYFZSA-N 2 0 322.518 2.978 20 0 DFADRP C[C@@H]([NH2+]C1(CNC(=O)CC[C@H](C)[NH3+])CCCC1)c1ccccc1 ZINC000262827298 203411841 /nfs/dbraw/zinc/41/18/41/203411841.db2.gz PZLLKQGWIFBKST-JKSUJKDBSA-N 2 0 317.477 2.894 20 0 DFADRP COC[C@@H](NCc1cnc(N(C)C)n1C)c1cccc(Cl)c1 ZINC000419703307 296147378 /nfs/dbraw/zinc/14/73/78/296147378.db2.gz DEVMYYSZBLUFKS-OAHLLOKOSA-N 2 0 322.840 2.617 20 0 DFADRP C[C@@H]1C[NH+](CCC2CC[NH+](Cc3cncs3)CC2)C[C@@H](C)O1 ZINC000093844216 193317834 /nfs/dbraw/zinc/31/78/34/193317834.db2.gz ITZFQLWNQUDORJ-HUUCEWRRSA-N 2 0 323.506 2.854 20 0 DFADRP C[C@H]1CCCC[N@@H+]1CCC1CC[NH+](Cc2ccnn2C)CC1 ZINC000093844565 193317910 /nfs/dbraw/zinc/31/79/10/193317910.db2.gz LNMCVYCKGAHLNV-INIZCTEOSA-N 2 0 304.482 2.897 20 0 DFADRP C[C@H]1C[NH+](CCC2CC[NH+](CC3=CCCOC3)CC2)C[C@H](C)O1 ZINC000093844413 193318009 /nfs/dbraw/zinc/31/80/09/193318009.db2.gz FXQQLFLPSUCJBG-IRXDYDNUSA-N 2 0 322.493 2.544 20 0 DFADRP CN1CC[C@H]([NH2+][C@H]2CCc3nc[nH]c3C2)C[C@H]1c1ccccc1 ZINC000340398393 284179967 /nfs/dbraw/zinc/17/99/67/284179967.db2.gz ZTSGSQGXNXIJNC-BXWFABGCSA-N 3 0 310.445 2.692 20 0 DFADRP CCOc1cc2[nH+]ccc(N3CCC[C@H]3C[NH3+])c2cc1OCC ZINC000420205802 296162191 /nfs/dbraw/zinc/16/21/91/296162191.db2.gz UNDWVELHIJZLTK-ZDUSSCGKSA-N 2 0 315.417 2.960 20 0 DFADRP Cc1cc(N2CC[NH2+][C@H](C)C2)c2cc(OC(F)F)ccc2[nH+]1 ZINC000420217229 296162896 /nfs/dbraw/zinc/16/28/96/296162896.db2.gz XGTQVCNCLBSJDJ-LLVKDONJSA-N 2 0 307.344 2.943 20 0 DFADRP CC[C@@H]1CCCC[C@@H]1C[N@@H+]1CC[C@@H](N2CC[NH+](CC)CC2)C1 ZINC000600117658 399142511 /nfs/dbraw/zinc/14/25/11/399142511.db2.gz MIYAEQHXBQLHRS-GUDVDZBRSA-N 2 0 307.526 2.915 20 0 DFADRP COc1cc2c(cc1F)[nH+]ccc2N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000420254408 296166049 /nfs/dbraw/zinc/16/60/49/296166049.db2.gz RLWRDCOSMXETLI-GOSISDBHSA-N 2 0 315.392 2.962 20 0 DFADRP [NH3+]CC1CC[NH+](Cc2ccn(-c3ccc(Cl)cc3)n2)CC1 ZINC000420271973 296167843 /nfs/dbraw/zinc/16/78/43/296167843.db2.gz LFTNUMFDZBMWLA-UHFFFAOYSA-N 2 0 304.825 2.696 20 0 DFADRP CCCc1ccc(C[NH2+]CCCC[N@@H+]2CCC[C@H]2CO)cc1 ZINC000600801888 399151694 /nfs/dbraw/zinc/15/16/94/399151694.db2.gz VOHQULGHPNHYNG-IBGZPJMESA-N 2 0 304.478 2.966 20 0 DFADRP C[C@](C[NH3+])([NH2+]CCOc1ccccc1Br)C1CC1 ZINC000420282685 296169247 /nfs/dbraw/zinc/16/92/47/296169247.db2.gz BAPLGBLHEMXSGA-CQSZACIVSA-N 2 0 313.239 2.545 20 0 DFADRP CCCN(Cc1ccc2oc(C(=O)OC)cc2c1)[C@@H]1CC[NH2+]C1 ZINC000420290467 296169843 /nfs/dbraw/zinc/16/98/43/296169843.db2.gz JESFHKQUNRNPPW-OAHLLOKOSA-N 2 0 316.401 2.793 20 0 DFADRP C[C@@H]([NH3+])[C@H]1CCCN(Cc2ccn(-c3c(F)cccc3F)n2)C1 ZINC000420291861 296170089 /nfs/dbraw/zinc/17/00/89/296170089.db2.gz ODORFUBTCOARLA-OLZOCXBDSA-N 2 0 320.387 2.710 20 0 DFADRP CCC[C@H]1[C@H](C)CCC[N@@H+]1C[C@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC000420295320 296170479 /nfs/dbraw/zinc/17/04/79/296170479.db2.gz CFACGTMCSADBRK-BVBHFADKSA-N 2 0 304.478 2.818 20 0 DFADRP C[NH2+]CC1CC[NH+](Cc2ccc3oc(C(=O)OC)cc3c2)CC1 ZINC000420297052 296170961 /nfs/dbraw/zinc/17/09/61/296170961.db2.gz QUJPFADHFCVGBG-UHFFFAOYSA-N 2 0 316.401 2.651 20 0 DFADRP C[NH2+]CCC1CC[NH+]([C@H](C)C(=O)Nc2cccc(C)c2C)CC1 ZINC000420298946 296171175 /nfs/dbraw/zinc/17/11/75/296171175.db2.gz AIADMVJJUYYTCW-MRXNPFEDSA-N 2 0 317.477 2.952 20 0 DFADRP CC[N@H+](CC[C@H]1CCC[NH2+]C1)[C@H]1CCN(c2ccccc2)C1=O ZINC000420301102 296171646 /nfs/dbraw/zinc/17/16/46/296171646.db2.gz LAWNFWLSFRTKOQ-AEFFLSMTSA-N 2 0 315.461 2.504 20 0 DFADRP CC[NH+](CC)Cc1ccc(C(=O)N2CC[C@H](C[NH+](C)C)C2)cc1 ZINC000265055482 204369279 /nfs/dbraw/zinc/36/92/79/204369279.db2.gz XNNOSRCXYJPUML-QGZVFWFLSA-N 2 0 317.477 2.552 20 0 DFADRP C[C@@H](c1ccc(Cl)cc1)[C@H](C)[N@H+](C)CCN1CC[NH2+]CC1 ZINC000420301546 296171935 /nfs/dbraw/zinc/17/19/35/296171935.db2.gz LKYKZFSWIGNRDG-CABCVRRESA-N 2 0 309.885 2.669 20 0 DFADRP CC[NH+](CC)CCN(CC[C@H]1CC[NH2+]C1)Cc1ccccc1 ZINC000420309231 296172949 /nfs/dbraw/zinc/17/29/49/296172949.db2.gz DTJCUIFOEZCZLB-GOSISDBHSA-N 2 0 303.494 2.830 20 0 DFADRP Fc1ccc(CC[N@H+](CCN2CC[NH2+]CC2)C2CCCC2)cc1 ZINC000420305829 296172495 /nfs/dbraw/zinc/17/24/95/296172495.db2.gz QAZQNUPTDHOJHD-UHFFFAOYSA-N 2 0 319.468 2.518 20 0 DFADRP C(CN1CCC[N@H+](CC2CCCCC2)CC1)[C@H]1CCC[NH2+]C1 ZINC000420311104 296173203 /nfs/dbraw/zinc/17/32/03/296173203.db2.gz GUNKVUNMSFREOM-GOSISDBHSA-N 2 0 307.526 2.964 20 0 DFADRP CC[C@@H](C)[C@@H]1CCCC[N@@H+]1C[C@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC000420310974 296173212 /nfs/dbraw/zinc/17/32/12/296173212.db2.gz VPOOUZVJCGJLSG-BVBHFADKSA-N 2 0 304.478 2.818 20 0 DFADRP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](CCOc3ccc(F)cc3Cl)C[C@@H]21 ZINC000420310764 296173442 /nfs/dbraw/zinc/17/34/42/296173442.db2.gz QBTROGJMJIEBSS-OSAQELSMSA-N 2 0 312.816 2.917 20 0 DFADRP CC[NH+](CC)CCCN(Cc1scnc1C)C[C@@H]1CC[NH2+]C1 ZINC000420312769 296173703 /nfs/dbraw/zinc/17/37/03/296173703.db2.gz OWAAWKUJRDEZMW-MRXNPFEDSA-N 2 0 324.538 2.595 20 0 DFADRP COc1ccc([C@H](C[NH3+])C[N@@H+]2CCC[C@@H]2c2cc(C)no2)cc1 ZINC000420319341 296174465 /nfs/dbraw/zinc/17/44/65/296174465.db2.gz PFZLKDKGPZZVNH-NVXWUHKLSA-N 2 0 315.417 2.871 20 0 DFADRP C[C@@H](c1ccccc1Cl)[N@H+](CCN1CC[NH2+]CC1)C1CC1 ZINC000420321297 296174771 /nfs/dbraw/zinc/17/47/71/296174771.db2.gz REJFVXDMIVDWPL-AWEZNQCLSA-N 2 0 307.869 2.771 20 0 DFADRP O=C(c1cc(F)ccc1F)C1CC[NH+](CC[C@@H]2CC[NH2+]C2)CC1 ZINC000420316574 296174265 /nfs/dbraw/zinc/17/42/65/296174265.db2.gz MNYIITDVINUVHO-ZDUSSCGKSA-N 2 0 322.399 2.859 20 0 DFADRP c1ccc(CC[N@@H+](CCN2CC[NH2+]CC2)Cc2ccccc2)cc1 ZINC000420321728 296174931 /nfs/dbraw/zinc/17/49/31/296174931.db2.gz RNGJRAUJUDBMDG-UHFFFAOYSA-N 2 0 323.484 2.637 20 0 DFADRP Cc1ccc(-c2noc(CCC[N@@H+](C)C3CC([NH3+])C3)n2)cc1F ZINC000420325390 296175350 /nfs/dbraw/zinc/17/53/50/296175350.db2.gz DDRUOQMELGBQCQ-UHFFFAOYSA-N 2 0 318.396 2.538 20 0 DFADRP COC(=O)[C@H](c1ccccc1C)[N@@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420326724 296175599 /nfs/dbraw/zinc/17/55/99/296175599.db2.gz KOGLQVVGABCJAP-RYRKJORJSA-N 2 0 316.445 2.531 20 0 DFADRP c1ccc(COCCC[N@@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)cc1 ZINC000420321613 296174817 /nfs/dbraw/zinc/17/48/17/296174817.db2.gz DATHCDJWEDKJBK-RBUKOAKNSA-N 2 0 302.462 2.915 20 0 DFADRP Cc1ccc(NC(=O)C[N@@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)c(C)c1 ZINC000420331376 296176356 /nfs/dbraw/zinc/17/63/56/296176356.db2.gz BVGWJYMRUIMBEB-DLBZAZTESA-N 2 0 315.461 2.563 20 0 DFADRP C[C@H](c1nc(-c2cccs2)no1)[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000420327073 296175749 /nfs/dbraw/zinc/17/57/49/296175749.db2.gz CTVVITYQQSMKEM-UPJWGTAASA-N 2 0 318.446 2.791 20 0 DFADRP Cc1cccc(C)c1NC(=O)[C@@H](C)[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000420325771 296175755 /nfs/dbraw/zinc/17/57/55/296175755.db2.gz BUGWQLCODBIFIZ-ZACQAIPSSA-N 2 0 315.461 2.562 20 0 DFADRP COc1cccc(C[N@H+](CC[C@H]2CC[NH2+]C2)C[C@H]2CCCO2)c1 ZINC000420328529 296176109 /nfs/dbraw/zinc/17/61/09/296176109.db2.gz ZUPCVOOWLVVSPU-VQIMIIECSA-N 2 0 318.461 2.676 20 0 DFADRP CC(C)CCC[C@H](C)NC(=O)C[N@@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000420335900 296177105 /nfs/dbraw/zinc/17/71/05/296177105.db2.gz IANLZZKOLVBYLM-OKZBNKHCSA-N 2 0 323.525 2.639 20 0 DFADRP Cc1ccc(C)c(NC(=O)C[N@@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)c1 ZINC000420339039 296177479 /nfs/dbraw/zinc/17/74/79/296177479.db2.gz LOJRAVKFPJEMQI-SJORKVTESA-N 2 0 315.461 2.563 20 0 DFADRP COc1ccccc1CCC[N@@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000420338270 296177529 /nfs/dbraw/zinc/17/75/29/296177529.db2.gz XPYALCLKRDCOIF-ZWKOTPCHSA-N 2 0 302.462 2.949 20 0 DFADRP C(c1nc(C2CCCC2)no1)[N@@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000420336025 296177084 /nfs/dbraw/zinc/17/70/84/296177084.db2.gz VINOQOWBVHAXTB-LSDHHAIUSA-N 2 0 304.438 2.549 20 0 DFADRP COc1ccc(OCCC[N@@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)cc1 ZINC000420344981 296178159 /nfs/dbraw/zinc/17/81/59/296178159.db2.gz VJRVAFLILJDPFA-IRXDYDNUSA-N 2 0 318.461 2.786 20 0 DFADRP Cc1cc(C)cc(NC(=O)C[N@@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)c1 ZINC000420339004 296177547 /nfs/dbraw/zinc/17/75/47/296177547.db2.gz LJXCDZZEXPVSHG-IAGOWNOFSA-N 2 0 315.461 2.563 20 0 DFADRP Cc1ccc(NC(=O)[C@H]2C[C@H]3CCCC[N@@H+]3C2)c(C[NH+](C)C)c1 ZINC000080669208 399168368 /nfs/dbraw/zinc/16/83/68/399168368.db2.gz LALITOIJDCLSEN-DLBZAZTESA-N 2 0 315.461 2.870 20 0 DFADRP Cc1cccc(NC(=O)C[N@@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)c1C ZINC000420346947 296178339 /nfs/dbraw/zinc/17/83/39/296178339.db2.gz ZMVASFRSLAUKMK-IRXDYDNUSA-N 2 0 315.461 2.563 20 0 DFADRP c1cc(-c2noc(C[N@@H+]3CCC[C@@H]([C@@H]4CC[NH2+]C4)C3)n2)cs1 ZINC000420346868 296178399 /nfs/dbraw/zinc/17/83/99/296178399.db2.gz ZHVJFQHYZPVGSZ-CHWSQXEVSA-N 2 0 318.446 2.620 20 0 DFADRP Cc1cc([C@H]2C[N@H+](CCC3CC[NH2+]CC3)CCO2)ccc1F ZINC000420354302 296178726 /nfs/dbraw/zinc/17/87/26/296178726.db2.gz CVHDXJOGNYQJBB-GOSISDBHSA-N 2 0 306.425 2.897 20 0 DFADRP Cc1cc([C@H]2C[N@H+](CC[C@@H]3CCC[NH2+]C3)CCO2)ccc1F ZINC000420352857 296178786 /nfs/dbraw/zinc/17/87/86/296178786.db2.gz AWOACLPLINEMSF-MAUKXSAKSA-N 2 0 306.425 2.897 20 0 DFADRP C[C@@H](c1cccc(F)c1)N1CC[NH+](CC[C@@H]2CC[NH2+]C2)CC1 ZINC000420357046 296179670 /nfs/dbraw/zinc/17/96/70/296179670.db2.gz HKWDNCZYALILJN-HOTGVXAUSA-N 2 0 305.441 2.504 20 0 DFADRP C[C@H]([NH2+]CCN1CC[NH2+]CC1)c1ccc(Cl)cc1Cl ZINC000420363717 296180331 /nfs/dbraw/zinc/18/03/31/296180331.db2.gz CCJRRFQAFZLBTQ-NSHDSACASA-N 2 0 302.249 2.549 20 0 DFADRP COCC[C@@H]1CCCC[N@H+](C[C@@H](C[NH3+])c2ccc(OC)cc2)C1 ZINC000420375023 296182283 /nfs/dbraw/zinc/18/22/83/296182283.db2.gz ORIPYUIKLRKZKT-FUHWJXTLSA-N 2 0 320.477 2.876 20 0 DFADRP FC1(F)C[C@@H]1CC[NH2+][C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000622043971 399175050 /nfs/dbraw/zinc/17/50/50/399175050.db2.gz QOJUYIAYTIEGSJ-NOLJZWGESA-N 2 0 308.372 2.877 20 0 DFADRP COCC[C@H]1CCCC[N@H+](C[C@H](C[NH3+])c2ccc(OC)cc2)C1 ZINC000420375021 296182440 /nfs/dbraw/zinc/18/24/40/296182440.db2.gz ORIPYUIKLRKZKT-AEFFLSMTSA-N 2 0 320.477 2.876 20 0 DFADRP CC[C@@H](C)[C@H]1C[N@H+](Cc2ccc(C)nc2)CCN1CCC[NH2+]C ZINC000420377213 296182693 /nfs/dbraw/zinc/18/26/93/296182693.db2.gz RYTCHODLCFFOFW-VQIMIIECSA-N 2 0 318.509 2.532 20 0 DFADRP [NH3+][C@@H]1CCCO[C@@H]1C1CC[NH+](CCCCC(F)(F)F)CC1 ZINC000420379270 296182959 /nfs/dbraw/zinc/18/29/59/296182959.db2.gz MZBKZQKVSZIRGW-ZIAGYGMSSA-N 2 0 308.388 2.937 20 0 DFADRP Cc1ccc(C[NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)c(-c2cnn(C)c2)c1 ZINC000282645008 217147824 /nfs/dbraw/zinc/14/78/24/217147824.db2.gz LKNSEJWIGUNCEF-INIZCTEOSA-N 2 0 324.472 2.969 20 0 DFADRP COc1ccc(OCC[N@@H+]2CCCC[C@H]2[C@@H]2CC[NH2+]C2)cc1 ZINC000420379939 296183583 /nfs/dbraw/zinc/18/35/83/296183583.db2.gz BSKUWZXWVSOLMM-QAPCUYQASA-N 2 0 304.434 2.538 20 0 DFADRP c1cc(CC[N@@H+]2CCCC[C@H]2[C@H]2CC[NH2+]C2)cc2c1OCC2 ZINC000420390908 296184700 /nfs/dbraw/zinc/18/47/00/296184700.db2.gz HYQIYNQMLALTQN-ROUUACIJSA-N 2 0 300.446 2.628 20 0 DFADRP [NH3+][C@@H]1CCCO[C@@H]1C1CC[NH+](CCSc2ccccc2)CC1 ZINC000420389056 296184870 /nfs/dbraw/zinc/18/48/70/296184870.db2.gz XTVAJLLCUDFDNG-QZTJIDSGSA-N 2 0 320.502 2.997 20 0 DFADRP C[C@H]1CCC[C@@H](CC[N@@H+]2CC3(CC[NH2+]CC3)[C@@H]3COC[C@@H]32)C1 ZINC000420388299 296184909 /nfs/dbraw/zinc/18/49/09/296184909.db2.gz MBAMFWBVMUMRDY-FJIDUMEYSA-N 2 0 306.494 2.903 20 0 DFADRP O=C(CC[N@@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1)Nc1ccc(F)cc1 ZINC000420393064 296185374 /nfs/dbraw/zinc/18/53/74/296185374.db2.gz JJRMWYQEOGONRH-PBHICJAKSA-N 2 0 319.424 2.618 20 0 DFADRP CCc1cccc(C[NH+]2CCC([C@H]3C[C@H]([NH3+])CCO3)CC2)c1 ZINC000420391614 296185471 /nfs/dbraw/zinc/18/54/71/296185471.db2.gz OPDQFJZYIAHSCM-RTBURBONSA-N 2 0 302.462 2.967 20 0 DFADRP C[C@@H]1C[C@H]([NH2+]C[C@@H](C(=O)OC(C)(C)C)C2CCC2)CC[N@@H+]1C ZINC000596118558 399179666 /nfs/dbraw/zinc/17/96/66/399179666.db2.gz ZXNRMHBDBYTJLE-FVQBIDKESA-N 2 0 310.482 2.817 20 0 DFADRP CC(C)(C)c1ccc(OCCC[N@@H+]2CCCO[C@@H](C[NH3+])C2)cc1 ZINC000420397700 296186045 /nfs/dbraw/zinc/18/60/45/296186045.db2.gz XXDDRIRGLCWSAB-SFHVURJKSA-N 2 0 320.477 2.803 20 0 DFADRP c1ccc(OCCOCC[N@@H+]2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)cc1 ZINC000420401704 296186411 /nfs/dbraw/zinc/18/64/11/296186411.db2.gz PRNVKJINXSQVRW-IEBWSBKVSA-N 2 0 318.461 2.546 20 0 DFADRP [NH3+]CC1(O)CC[NH+](Cc2ccccc2Oc2ccccc2)CC1 ZINC000420405129 296186829 /nfs/dbraw/zinc/18/68/29/296186829.db2.gz OFLFQHNXQFACMF-UHFFFAOYSA-N 2 0 312.413 2.765 20 0 DFADRP C[C@H]1CCN(Cc2nn(-c3ccccc3)c3c2CCC3)C[C@H]1C[NH3+] ZINC000420415227 296187973 /nfs/dbraw/zinc/18/79/73/296187973.db2.gz UWXAYQIMCYYCCL-JKSUJKDBSA-N 2 0 324.472 2.778 20 0 DFADRP CN(CC[N@H+](C)Cc1cc2ccccc2o1)C1CC[NH+](C)CC1 ZINC000271697686 209135433 /nfs/dbraw/zinc/13/54/33/209135433.db2.gz MUMGEGDSHVEBBR-UHFFFAOYSA-N 2 0 315.461 2.891 20 0 DFADRP Cc1cc(N2CC[C@@H](C[NH+]3CCOCC3)C2)c2ccccc2[nH+]1 ZINC000266285326 205238619 /nfs/dbraw/zinc/23/86/19/205238619.db2.gz VGBWIFJJRRSMGR-INIZCTEOSA-N 2 0 311.429 2.702 20 0 DFADRP C[C@H]1[C@@H]([NH2+]Cc2ccc(C(N)=O)cc2)CCN1Cc1ccccc1 ZINC000288387629 220124939 /nfs/dbraw/zinc/12/49/39/220124939.db2.gz GPWRPKLMNJCWJC-KXBFYZLASA-N 2 0 323.440 2.538 20 0 DFADRP CC[N@H+](C)[C@H](C(=O)N(C)[C@@H]1CC[NH+](C)[C@@H](C)C1)c1ccccc1 ZINC000266040345 284368080 /nfs/dbraw/zinc/36/80/80/284368080.db2.gz CFTFJOSDFPRAOX-JQHSSLGASA-N 2 0 317.477 2.621 20 0 DFADRP CCC1CC([NH2+]Cc2ccccc2C[N@@H+]2CCC[C@@H]2CO)C1 ZINC000342586784 284371955 /nfs/dbraw/zinc/37/19/55/284371955.db2.gz AXJFOJJNRPAVRQ-XUJQIHCRSA-N 2 0 302.462 2.922 20 0 DFADRP C[C@@H](C(=O)NC[C@H](c1ccsc1)[NH+](C)C)[NH+]1CCCCCC1 ZINC000266505014 205395095 /nfs/dbraw/zinc/39/50/95/205395095.db2.gz GLTPMOZMHMAPHS-GOEBONIOSA-N 2 0 323.506 2.732 20 0 DFADRP COC(=O)[C@H]1CC[C@@H]([NH2+]C2CC[NH+]([C@H]3CCCC[C@H]3C)CC2)C1 ZINC000365308433 284381422 /nfs/dbraw/zinc/38/14/22/284381422.db2.gz QGKJZBQFMFDFIU-ATLSCFEFSA-N 2 0 322.493 2.961 20 0 DFADRP C[C@@H](C(=O)Nc1ccccc1-c1ncc2n1CCCC2)[NH+](C)C ZINC000614353968 399215802 /nfs/dbraw/zinc/21/58/02/399215802.db2.gz RRUZKHHSEQRLFN-ZDUSSCGKSA-N 2 0 312.417 2.775 20 0 DFADRP Cc1cc(CNC(=O)NC[C@@H](C)[N@@H+]2CCCC[C@H]2C)cc(C)n1 ZINC000420789130 296202072 /nfs/dbraw/zinc/20/20/72/296202072.db2.gz DLCDEPDANZMBCB-HZPDHXFCSA-N 2 0 318.465 2.761 20 0 DFADRP C[C@@H]([NH2+]Cc1ccc(OCC[NH+]2CCCC2)cc1)[C@@H]1CCOC1 ZINC000608061912 399230060 /nfs/dbraw/zinc/23/00/60/399230060.db2.gz IPOBYOTVJVBDTP-SJLPKXTDSA-N 2 0 318.461 2.676 20 0 DFADRP CC[NH+]1CCC(N2CCCN([C@@H](C)c3ncc(C)o3)CC2)CC1 ZINC000420974446 296219677 /nfs/dbraw/zinc/21/96/77/296219677.db2.gz DSWFEGFBWMUVDK-INIZCTEOSA-N 2 0 320.481 2.536 20 0 DFADRP C(=C\c1ccncc1)\C[NH2+]CC1CCN(c2cc[nH+]cc2)CC1 ZINC000487532827 299467217 /nfs/dbraw/zinc/46/72/17/299467217.db2.gz DESCFTYSQRIITG-UPHRSURJSA-N 2 0 308.429 2.996 20 0 DFADRP CC(C)[C@H]1CN(C(=O)[C@@H]2CCCC[NH+]2C2CCCC2)CC[N@@H+]1C ZINC000622555324 399259532 /nfs/dbraw/zinc/25/95/32/399259532.db2.gz SRWGTHQATIQKNE-ZWKOTPCHSA-N 2 0 321.509 2.582 20 0 DFADRP CC(C)[C@@H]1CN(C(=O)[C@@H]2CCCC[NH+]2C2CCCC2)CC[N@@H+]1C ZINC000622555323 399259630 /nfs/dbraw/zinc/25/96/30/399259630.db2.gz SRWGTHQATIQKNE-ROUUACIJSA-N 2 0 321.509 2.582 20 0 DFADRP CC[C@H](C(=O)NC[C@]1([NH+](C)C)CCC[C@H](C)C1)[NH+](CC)CC ZINC000344038892 284572207 /nfs/dbraw/zinc/57/22/07/284572207.db2.gz IKEZXJUXAJOBEO-JZXOWHBKSA-N 2 0 311.514 2.734 20 0 DFADRP C[N@H+](CC(=O)NCC1([NH+]2CCCCC2)CCCCC1)C1CCC1 ZINC000608500839 399272208 /nfs/dbraw/zinc/27/22/08/399272208.db2.gz SOWIKAWJPPQXNB-UHFFFAOYSA-N 2 0 321.509 2.776 20 0 DFADRP C[NH+](C)C1CCC([NH2+]C2CCN(Cc3cccnc3)CC2)CC1 ZINC000421369152 296249321 /nfs/dbraw/zinc/24/93/21/296249321.db2.gz HLOCCNSSGZBOOV-UHFFFAOYSA-N 2 0 316.493 2.508 20 0 DFADRP CC(C)[NH+]1CCN([C@H]2CC[N@@H+]([C@H]3CCc4ccccc43)C2)CC1 ZINC000614962606 399286086 /nfs/dbraw/zinc/28/60/86/399286086.db2.gz LQOGOWROLSRVHM-ICSRJNTNSA-N 2 0 313.489 2.774 20 0 DFADRP CC(C)[C@H](C[NH2+]Cc1ccc(Cl)s1)N1CC[NH+](C)CC1 ZINC000040435522 183067089 /nfs/dbraw/zinc/06/70/89/183067089.db2.gz LJHBOHWEJKEAIW-AWEZNQCLSA-N 2 0 315.914 2.763 20 0 DFADRP CC[NH+](CC)[C@H](C(=O)NCCCC[NH+](C)C)c1ccccc1 ZINC000344597403 284654132 /nfs/dbraw/zinc/65/41/32/284654132.db2.gz BGOZZNRGCYESQA-KRWDZBQOSA-N 2 0 305.466 2.528 20 0 DFADRP COC1([C@H](C)[NH2+]C2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)CCCC1 ZINC000421841410 296277196 /nfs/dbraw/zinc/27/71/96/296277196.db2.gz IRBPWHYCIYQJMJ-JQHSSLGASA-N 2 0 324.509 2.692 20 0 DFADRP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccc3c(c2)ncn3C)[C@@H](C)C1 ZINC000271882574 209291953 /nfs/dbraw/zinc/29/19/53/209291953.db2.gz VMLKWHQZMUEKPZ-YOEHRIQHSA-N 2 0 300.450 2.735 20 0 DFADRP COCC[C@H](C)[NH2+]Cc1ccc(OC2CC[NH+](C)CC2)cc1 ZINC000284401353 218012205 /nfs/dbraw/zinc/01/22/05/218012205.db2.gz MZXCGYDPAVMFHE-HNNXBMFYSA-N 2 0 306.450 2.674 20 0 DFADRP C[NH+]1CCC(Oc2ccc(C[NH2+][C@@H]3CCSC3)cc2)CC1 ZINC000284451497 218032286 /nfs/dbraw/zinc/03/22/86/218032286.db2.gz UJOFGRXQAWECGC-OAHLLOKOSA-N 2 0 306.475 2.755 20 0 DFADRP CCCCOc1ccc([C@@H](C)[NH2+]CC2(O)CC[NH+](C)CC2)cc1 ZINC000284419213 218019082 /nfs/dbraw/zinc/01/90/82/218019082.db2.gz QRYXDAMHJFUVQC-MRXNPFEDSA-N 2 0 320.477 2.973 20 0 DFADRP Cc1cc(C[NH2+][C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]23)n(C)n1 ZINC000284569681 218081512 /nfs/dbraw/zinc/08/15/12/218081512.db2.gz YRTNKTMABOFIFL-YZGWKJHDSA-N 2 0 324.472 2.729 20 0 DFADRP CC(C)[NH+]1CCN([C@@H]2CC[N@H+](C[C@@H](C)c3ccccc3)C2)CC1 ZINC000610250404 399350854 /nfs/dbraw/zinc/35/08/54/399350854.db2.gz DGSOEVRDJKVMEI-UYAOXDASSA-N 2 0 315.505 2.890 20 0 DFADRP C[C@@H]1C[C@H]1c1ccc(C[NH2+]CC2CC[NH+](CCN(C)C)CC2)o1 ZINC000105451330 194104220 /nfs/dbraw/zinc/10/42/20/194104220.db2.gz JDFLZFJJVCHFCK-CRAIPNDOSA-N 2 0 319.493 2.766 20 0 DFADRP C[C@H](C[NH2+]Cc1ccc(-c2ccccc2)o1)N1CC[NH+](C)CC1 ZINC000105466617 194106123 /nfs/dbraw/zinc/10/61/23/194106123.db2.gz MBZQOSLXTLOHHV-MRXNPFEDSA-N 2 0 313.445 2.672 20 0 DFADRP CCSCC[NH2+]CCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000273829661 211095624 /nfs/dbraw/zinc/09/56/24/211095624.db2.gz YMOBUXSOUVZBPZ-UHFFFAOYSA-N 2 0 321.534 2.932 20 0 DFADRP C[C@@H](C[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1)N1CCc2sccc2C1 ZINC000623347623 399369000 /nfs/dbraw/zinc/36/90/00/399369000.db2.gz GEAZEJPFWRCMEX-GOEBONIOSA-N 2 0 321.534 2.957 20 0 DFADRP C[N@@H+]1CC[C@@H]([NH2+]Cc2cccc(Cn3cccn3)c2)CC1(C)C ZINC000623370873 399374293 /nfs/dbraw/zinc/37/42/93/399374293.db2.gz CBKSRWRFEQKLTO-GOSISDBHSA-N 2 0 312.461 2.894 20 0 DFADRP C[N@@H+]1CC[C@@H]([NH2+][C@H]2CCc3nc(C(C)(C)C)cn3C2)CC1(C)C ZINC000623388273 399377933 /nfs/dbraw/zinc/37/79/33/399377933.db2.gz CTIXHHTYWPQWMY-CABCVRRESA-N 2 0 318.509 2.958 20 0 DFADRP C[N@@H+]1CC[C@H]([NH2+]CCCc2nc3ccccc3[nH]2)CC1(C)C ZINC000623378686 399376402 /nfs/dbraw/zinc/37/64/02/399376402.db2.gz LQWFVRUERGGHSL-AWEZNQCLSA-N 2 0 300.450 2.958 20 0 DFADRP C[N@@H+]1CC[C@H]([NH2+]CCNC(=O)c2ccc(Cl)cc2)CC1(C)C ZINC000623380580 399376595 /nfs/dbraw/zinc/37/65/95/399376595.db2.gz FXUFUASKLADANU-HNNXBMFYSA-N 2 0 323.868 2.532 20 0 DFADRP Cc1cc(C[NH2+]CCCC[NH+](C)C)ncc1Br ZINC000623383343 399376884 /nfs/dbraw/zinc/37/68/84/399376884.db2.gz PYSITUDXZIFJJJ-UHFFFAOYSA-N 2 0 300.244 2.584 20 0 DFADRP C[N@@H+]1CC[C@@H]([NH2+]CCc2ccn(-c3ccccc3)n2)CC1(C)C ZINC000623393042 399379054 /nfs/dbraw/zinc/37/90/54/399379054.db2.gz WSCXLFPSTLTIAG-QGZVFWFLSA-N 2 0 312.461 2.877 20 0 DFADRP CCc1ccc([C@H](CNC(=O)[C@H](C(C)C)[NH+](C)C)[NH+](C)C)cc1 ZINC000106427474 194211812 /nfs/dbraw/zinc/21/18/12/194211812.db2.gz ISNMNFDPXSWMMF-ROUUACIJSA-N 2 0 319.493 2.554 20 0 DFADRP CC[NH+](CC)[C@@H](CNC(=O)[C@H](C(C)C)[NH+](C)C)c1ccccc1 ZINC000106429008 194213167 /nfs/dbraw/zinc/21/31/67/194213167.db2.gz GUVWJGJUHGYDKX-ROUUACIJSA-N 2 0 319.493 2.772 20 0 DFADRP C[N@H+](C[C@@H](O)CCc1ccccc1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000285360456 218398373 /nfs/dbraw/zinc/39/83/73/218398373.db2.gz BMKFHTDHYOCTFP-SWDXFRIISA-N 2 0 302.462 2.537 20 0 DFADRP COc1cc(C[NH2+]C(C)(C)CC[NH3+])ccc1OCC(F)(F)F ZINC000422554618 296311953 /nfs/dbraw/zinc/31/19/53/296311953.db2.gz NAWWXSUCMKNWOY-UHFFFAOYSA-N 2 0 320.355 2.853 20 0 DFADRP CC(C)N(C)c1ccc(C[N@@H+]2C[C@H](C[NH3+])[C@H](C)C[C@H]2C)cn1 ZINC000422558237 296312406 /nfs/dbraw/zinc/31/24/06/296312406.db2.gz ANXDOYXEAQGUAH-INMHGKMJSA-N 2 0 304.482 2.731 20 0 DFADRP C[NH+](C)C1CCC([NH2+][C@H]2CCN[C@@H](c3ccccc3)C2)CC1 ZINC000422558831 296312244 /nfs/dbraw/zinc/31/22/44/296312244.db2.gz ZUDZIMOILJBJFB-VLOYRQLPSA-N 2 0 301.478 2.942 20 0 DFADRP CCOCCOCc1cccc(C[NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)c1 ZINC000268846057 207012953 /nfs/dbraw/zinc/01/29/53/207012953.db2.gz VMDNQFGAJQVEQA-APWZRJJASA-N 2 0 320.477 2.812 20 0 DFADRP C[C@@H]([NH3+])C1CC[NH+](CCC(=O)Nc2cccc(Cl)c2)CC1 ZINC000110649328 194345894 /nfs/dbraw/zinc/34/58/94/194345894.db2.gz VXNIYRADVYYYMN-GFCCVEGCSA-N 2 0 309.841 2.728 20 0 DFADRP C[C@@H]([NH2+]CCCC[NH+](C)C)c1cnn(Cc2ccccc2)c1 ZINC000268864727 207033418 /nfs/dbraw/zinc/03/34/18/207033418.db2.gz CKLKLRBLBRVRKY-MRXNPFEDSA-N 2 0 300.450 2.924 20 0 DFADRP C[C@@H](C[N@H+](C)Cc1ccccc1)N[C@@H]1CC[NH+](C)C(C)(C)C1 ZINC000623484969 399399857 /nfs/dbraw/zinc/39/98/57/399399857.db2.gz JBMAHAJTQGCWRQ-FUHWJXTLSA-N 2 0 303.494 2.969 20 0 DFADRP CC(C)Oc1cccc([C@H](O)C[NH2+][C@@H]2C[C@H](C)[N@H+](C)C[C@H]2C)c1 ZINC000268891463 207060498 /nfs/dbraw/zinc/06/04/98/207060498.db2.gz JUTUIDGGNIWLFM-WTLGNFPFSA-N 2 0 320.477 2.826 20 0 DFADRP Cc1c(F)cccc1NC(=O)CC[N@@H+]1C[C@H](C[NH3+])[C@@H](C)C[C@@H]1C ZINC000422640030 296317723 /nfs/dbraw/zinc/31/77/23/296317723.db2.gz UNYNRRNFOUTDJM-YDHLFZDLSA-N 2 0 321.440 2.768 20 0 DFADRP COC[C@@H](CCC[NH3+])[NH2+]Cc1ccccc1OC1CCCC1 ZINC000422691728 296317864 /nfs/dbraw/zinc/31/78/64/296317864.db2.gz IVQOQRWKKNICOI-MRXNPFEDSA-N 2 0 306.450 2.852 20 0 DFADRP C[C@@H](CCCC[NH3+])[NH2+]CC(C)(C)N1CCc2ccccc2C1 ZINC000422707355 296319425 /nfs/dbraw/zinc/31/94/25/296319425.db2.gz WJMBSPWZJGPQPF-INIZCTEOSA-N 2 0 303.494 2.930 20 0 DFADRP CC[C@H](NC[C@@H](C)[N@@H+]1CCc2ccccc2C1)[C@@H]1CCC[NH2+]1 ZINC000422714534 296320514 /nfs/dbraw/zinc/32/05/14/296320514.db2.gz LAEUDFQBQBFEIS-MNEFBYGVSA-N 2 0 301.478 2.553 20 0 DFADRP C[C@H](NCc1ccc(OCCC[NH+](C)C)cc1)[C@@H]1CCCC[NH2+]1 ZINC000422710534 296319883 /nfs/dbraw/zinc/31/98/83/296319883.db2.gz GAJNMVHSFXCNHZ-LPHOPBHVSA-N 2 0 319.493 2.637 20 0 DFADRP CC(C)(C[NH2+][C@@H]1CCOC[C@@H]1[C@H]1CCC[NH2+]1)c1ccc(F)cc1 ZINC000422713558 296319991 /nfs/dbraw/zinc/31/99/91/296319991.db2.gz PXCJFDQKCHEKIG-KZNAEPCWSA-N 2 0 320.452 2.850 20 0 DFADRP C[C@H](NC[C@H]1CC[N@H+](CCc2ccccc2)C1)[C@@H]1CCCC[NH2+]1 ZINC000422718535 296321028 /nfs/dbraw/zinc/32/10/28/296321028.db2.gz PWAXDVLAWVLGKX-SXLOBPIMSA-N 2 0 315.505 2.671 20 0 DFADRP Cc1nc(C[NH3+])ccc1[C@H](C)NC[C@H](C)C[NH+]1CCCCC1 ZINC000422717092 296321099 /nfs/dbraw/zinc/32/10/99/296321099.db2.gz VJOIERZLHZWAFG-GJZGRUSLSA-N 2 0 304.482 2.621 20 0 DFADRP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cccc3nsnc32)[C@@H](C)C1 ZINC000268953984 207118492 /nfs/dbraw/zinc/11/84/92/207118492.db2.gz SYBVQBHRNDBFCA-SWLSCSKDSA-N 2 0 304.463 2.853 20 0 DFADRP COc1ccc(CCC[NH2+][C@H]2CCCCC[C@H]2[NH3+])cc1OC ZINC000422719009 296320877 /nfs/dbraw/zinc/32/08/77/296320877.db2.gz LSTWNAWIHPDQFQ-CVEARBPZSA-N 2 0 306.450 2.886 20 0 DFADRP C[N@@H+]1CC[C@H]([NH2+][C@H]2CCO[C@@H](c3ccncc3)C2)CC1(C)C ZINC000623540008 399411766 /nfs/dbraw/zinc/41/17/66/399411766.db2.gz GWLCTPMFIWXKEG-YESZJQIVSA-N 2 0 303.450 2.764 20 0 DFADRP C[NH+](C)CCOc1ccc(C[NH2+][C@H]2CCOC3(CCC3)C2)cc1 ZINC000268962756 207125011 /nfs/dbraw/zinc/12/50/11/207125011.db2.gz JLODVSKFWRVKHW-KRWDZBQOSA-N 2 0 318.461 2.818 20 0 DFADRP CCOC(=O)C1([C@H](C)[NH2+]C2CCC(CC)CC2)CC[NH2+]CC1 ZINC000422723086 296321709 /nfs/dbraw/zinc/32/17/09/296321709.db2.gz QEVUHHIYKVBIOM-FHERZECASA-N 2 0 310.482 2.866 20 0 DFADRP C[C@@H](NC1CC[NH+](Cc2ccc(F)cc2)CC1)[C@H]1CCCC[NH2+]1 ZINC000422725022 296322024 /nfs/dbraw/zinc/32/20/24/296322024.db2.gz XIGIDLOJJXVVEY-DNVCBOLYSA-N 2 0 319.468 2.910 20 0 DFADRP COc1cccc(N2CC[C@@H](C[NH2+][C@H]3CC[N@H+](C)[C@H](C)C3)C2)c1 ZINC000157475145 197190391 /nfs/dbraw/zinc/19/03/91/197190391.db2.gz QLHMAVREELRQGM-IKGGRYGDSA-N 2 0 317.477 2.594 20 0 DFADRP C[C@@H]([NH2+]Cc1ccc(-n2ccc(C(F)(F)F)n2)cc1)C1C[NH2+]C1 ZINC000422726439 296322239 /nfs/dbraw/zinc/32/22/39/296322239.db2.gz ZXKRNHJYMVPGLP-LLVKDONJSA-N 2 0 324.350 2.589 20 0 DFADRP C[N@@H+]1C[C@@H](C[NH2+]Cc2cccc3n[nH]cc32)[C@H](c2ccccc2)C1 ZINC000623557921 399415763 /nfs/dbraw/zinc/41/57/63/399415763.db2.gz LSYBIQHCNAWIAQ-MJGOQNOKSA-N 2 0 320.440 2.998 20 0 DFADRP CC[C@H](NC[C@@H](c1cccc(OC)c1)[NH+](C)C)[C@H]1CCCC[NH2+]1 ZINC000422726545 296322248 /nfs/dbraw/zinc/32/22/48/296322248.db2.gz FELHXVTZYTWYHP-OTWHNJEPSA-N 2 0 319.493 2.808 20 0 DFADRP Cc1cccc2nc(CC[NH2+][C@H]3CC[N@@H+](C)C(C)(C)C3)cn21 ZINC000623558746 399415874 /nfs/dbraw/zinc/41/58/74/399415874.db2.gz HOOYNIHKXFFMMZ-HNNXBMFYSA-N 3 0 300.450 2.648 20 0 DFADRP CC[C@@H](NC1CC[NH+](Cc2ccccc2)CC1)[C@@H]1CCC[NH2+]1 ZINC000422729235 296322859 /nfs/dbraw/zinc/32/28/59/296322859.db2.gz KEWCFGKQAPWUBP-MOPGFXCFSA-N 2 0 301.478 2.771 20 0 DFADRP COc1ccc(C[NH2+][C@@H](C)c2ccc(C[NH3+])nc2C)cc1OC ZINC000422729032 296322704 /nfs/dbraw/zinc/32/27/04/296322704.db2.gz HFHMYQYMHDDWKX-LBPRGKRZSA-N 2 0 315.417 2.717 20 0 DFADRP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]Cc1cc(F)cc(Br)c1 ZINC000422730481 296322720 /nfs/dbraw/zinc/32/27/20/296322720.db2.gz JTUQXFGMSGABTE-GWCFXTLKSA-N 2 0 301.203 2.805 20 0 DFADRP c1cc(CC[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)cc2c1OCC2 ZINC000422730909 296323095 /nfs/dbraw/zinc/32/30/95/296323095.db2.gz MTOCXISTDYEZSX-KSZLIROESA-N 2 0 300.446 2.674 20 0 DFADRP C[C@@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]CCc1ccc2c(c1)CCO2 ZINC000422731880 296323190 /nfs/dbraw/zinc/32/31/90/296323190.db2.gz OFJQXSVEZGQDKQ-BEFAXECRSA-N 2 0 310.441 2.712 20 0 DFADRP C[C@H](CC[NH+](C)C)[NH2+][C@H](C)c1ccc(OCC[NH+](C)C)cc1 ZINC000269012517 207166072 /nfs/dbraw/zinc/16/60/72/207166072.db2.gz NTUHRLLWBFDWLS-HZPDHXFCSA-N 3 0 307.482 2.618 20 0 DFADRP CC(C)[NH+]1CCC(O)(C[NH2+][C@H](C)CCc2ccc(F)cc2)CC1 ZINC000269028004 207177844 /nfs/dbraw/zinc/17/78/44/207177844.db2.gz SMHCSJDUYBHQRW-MRXNPFEDSA-N 2 0 322.468 2.972 20 0 DFADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@H](C[C@H](C)O)c2ccccc2)[C@@H](C)C1 ZINC000269021723 207172188 /nfs/dbraw/zinc/17/21/88/207172188.db2.gz QDBOIBFUTJFNKQ-CAMMJAKZSA-N 2 0 304.478 2.861 20 0 DFADRP COCCOCc1ccc(C[NH2+]C[C@H]2CCCC[N@H+](C)C2)cc1 ZINC000623657042 399436319 /nfs/dbraw/zinc/43/63/19/399436319.db2.gz IPAOXGGDWNGPRL-LJQANCHMSA-N 2 0 320.477 2.671 20 0 DFADRP C[C@H](CC[NH+](C)C)[NH2+][C@@H](C)c1ccc(N2CCCC2=O)cc1 ZINC000269054852 207204367 /nfs/dbraw/zinc/20/43/67/207204367.db2.gz WNZHQKVBVLUPJQ-CABCVRRESA-N 2 0 303.450 2.804 20 0 DFADRP COC(=O)c1cc(CN2CCC[C@@H]([NH+]3CCCC3)CC2)[nH]c1C ZINC000602478024 399456362 /nfs/dbraw/zinc/45/63/62/399456362.db2.gz NIOXLMAOBWWUGR-MRXNPFEDSA-N 2 0 319.449 2.560 20 0 DFADRP CCOC(=O)c1cc(C[NH2+]CCCC[N@@H+]2CCCC[C@@H]2C)on1 ZINC000602513761 399465442 /nfs/dbraw/zinc/46/54/42/399465442.db2.gz IMAVAZJKXUJQEY-AWEZNQCLSA-N 2 0 323.437 2.596 20 0 DFADRP CCC(CC)(C[NH3+])NC(=O)C1CC[NH+](Cc2ccccc2)CC1 ZINC000269150116 207276583 /nfs/dbraw/zinc/27/65/83/207276583.db2.gz PFGXSNHRKVKNJJ-UHFFFAOYSA-N 2 0 317.477 2.532 20 0 DFADRP COC(=O)c1[nH]c(C[NH2+]CCCC[N@@H+]2CCC[C@H](C)C2)cc1C ZINC000602512368 399465078 /nfs/dbraw/zinc/46/50/78/399465078.db2.gz ASRGBECCMKEHQT-AWEZNQCLSA-N 2 0 321.465 2.711 20 0 DFADRP C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2ccc(-n3ccnc3)cc2)C1 ZINC000269137065 207268024 /nfs/dbraw/zinc/26/80/24/207268024.db2.gz UHXCYVJMQQWIHV-HKUYNNGSSA-N 2 0 310.445 2.788 20 0 DFADRP CCC[N@H+](CC)Cc1ccc(C(=O)N2CCC(C[NH3+])CC2)cc1 ZINC000269177979 207297694 /nfs/dbraw/zinc/29/76/94/207297694.db2.gz GGXWMVCDYSJQJX-UHFFFAOYSA-N 2 0 317.477 2.729 20 0 DFADRP CC[C@H](NC[C@@H](c1cccc(F)c1)[NH+](C)C)[C@@H]1CCCC[NH2+]1 ZINC000422736722 296323658 /nfs/dbraw/zinc/32/36/58/296323658.db2.gz WIOFNLWJAGNVIJ-BZSNNMDCSA-N 2 0 307.457 2.939 20 0 DFADRP C[C@H](C[NH2+][C@@H]1CCOC[C@H]1[C@@H]1CCC[NH2+]1)c1ccc(F)cc1 ZINC000422735512 296323675 /nfs/dbraw/zinc/32/36/75/296323675.db2.gz DZZJAKFGCCPALP-XFKAJCMBSA-N 2 0 306.425 2.676 20 0 DFADRP C[C@H](c1ccccc1)[NH+]1CCC(N[C@@H](C)[C@H]2CCC[NH2+]2)CC1 ZINC000422740924 296324490 /nfs/dbraw/zinc/32/44/90/296324490.db2.gz COMRGTMJROEHHE-FRQCXROJSA-N 2 0 301.478 2.942 20 0 DFADRP C[C@H]([NH3+])[C@@H]1COCC[C@H]1[NH2+]CCc1c(Cl)cccc1Cl ZINC000422738498 296324150 /nfs/dbraw/zinc/32/41/50/296324150.db2.gz JMJJPTRFXHNUOD-ITDIGPHOSA-N 2 0 317.260 2.878 20 0 DFADRP CCOC(=O)C1([C@H](C)[NH2+]Cc2ccccc2Cl)CC[NH2+]CC1 ZINC000422739131 296324178 /nfs/dbraw/zinc/32/41/78/296324178.db2.gz ZWXGSWUDNRGFKZ-ZDUSSCGKSA-N 2 0 324.852 2.751 20 0 DFADRP Cc1ccccc1OCCC[NH2+][C@@H]1CCOC[C@H]1[C@H]1CCC[NH2+]1 ZINC000422744417 296324973 /nfs/dbraw/zinc/32/49/73/296324973.db2.gz SVDFJBKNLBWSRN-RCCFBDPRSA-N 2 0 318.461 2.511 20 0 DFADRP CC1CC[NH+]([C@H](CN[C@H]2CCC[C@@H]2[NH3+])c2cccs2)CC1 ZINC000422743372 296324993 /nfs/dbraw/zinc/32/49/93/296324993.db2.gz IJOFUHQWEGIMJH-HRCADAONSA-N 2 0 307.507 2.991 20 0 DFADRP C[C@@H](C[C@H]1CCCCC[NH2+]1)NCC1([NH+]2CCCC2)CCOCC1 ZINC000422743254 296325036 /nfs/dbraw/zinc/32/50/36/296325036.db2.gz REWKESPEYZNSMH-ZWKOTPCHSA-N 2 0 323.525 2.532 20 0 DFADRP CC1CC[NH+]([C@H](CNC2CC[NH2+]CC2)c2ccccc2)CC1 ZINC000422742662 296325061 /nfs/dbraw/zinc/32/50/61/296325061.db2.gz SFIGHYXHPFXAQG-LJQANCHMSA-N 2 0 301.478 2.801 20 0 DFADRP C[NH+](C)CCc1ccc(NC(=O)[C@@H]2C[C@@H]3CCCC[C@H]3[NH2+]2)cc1 ZINC000269226813 207348561 /nfs/dbraw/zinc/34/85/61/207348561.db2.gz APPZILCURVXPAO-JQHSSLGASA-N 2 0 315.461 2.650 20 0 DFADRP Cc1c2ccccc2oc1C[NH2+][C@@H]1CCOC[C@H]1[C@H]1CCC[NH2+]1 ZINC000422748658 296325769 /nfs/dbraw/zinc/32/57/69/296325769.db2.gz VNMZENDKAWQZTN-GVDBMIGSSA-N 2 0 314.429 2.988 20 0 DFADRP C[C@H](c1ccccc1)[NH+]1CCC(N[C@H]2C[NH2+]CC[C@H]2C)CC1 ZINC000422748409 296325902 /nfs/dbraw/zinc/32/59/02/296325902.db2.gz UJVCILPAADEIDI-MDZRGWNJSA-N 2 0 301.478 2.800 20 0 DFADRP COc1ccccc1[C@@H](C[NH2+][C@@H](C)CCC[NH3+])N1CCCC1 ZINC000422749107 296326093 /nfs/dbraw/zinc/32/60/93/296326093.db2.gz XPFVOUJPHXVGHM-DOTOQJQBSA-N 2 0 305.466 2.549 20 0 DFADRP COc1cccc([C@H](CN[C@@H]2CCC[C@@H]2C[NH3+])[NH+]2CCCC2)c1 ZINC000422751078 296326510 /nfs/dbraw/zinc/32/65/10/296326510.db2.gz CCHKZRXMGJJIRR-QRQLOZEOSA-N 2 0 317.477 2.549 20 0 DFADRP CC(C)OCCC[NH2+][C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422754187 296327249 /nfs/dbraw/zinc/32/72/49/296327249.db2.gz GQUHILXYLKHANN-WMZOPIPTSA-N 2 0 304.434 2.647 20 0 DFADRP CC(C)OCCC[NH2+][C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422754178 296327353 /nfs/dbraw/zinc/32/73/53/296327353.db2.gz GQUHILXYLKHANN-AEFFLSMTSA-N 2 0 304.434 2.647 20 0 DFADRP CC[N@@H+]1CCC[C@@H]1CN[C@H](c1ccc(OC)cc1)[C@H]1CCC[NH2+]1 ZINC000422752840 296326868 /nfs/dbraw/zinc/32/68/68/296326868.db2.gz HOQUYZGXWJLHBZ-BHIYHBOVSA-N 2 0 317.477 2.562 20 0 DFADRP COc1cccc([C@H](CN[C@@H]2CCC[NH2+]CC2)[NH+]2CCCC2)c1 ZINC000422752743 296326962 /nfs/dbraw/zinc/32/69/62/296326962.db2.gz FIEFGXWSQPXJOE-MJGOQNOKSA-N 2 0 317.477 2.564 20 0 DFADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]CCCN1CCCCCC1=O ZINC000422760009 296328167 /nfs/dbraw/zinc/32/81/67/296328167.db2.gz PTMMGVLINWENCD-SJORKVTESA-N 2 0 309.498 2.680 20 0 DFADRP Cc1ccc(SCC[NH2+][C@@H]2CCOC[C@@H]2[C@@H]2CCC[NH2+]2)cc1 ZINC000422757419 296327676 /nfs/dbraw/zinc/32/76/76/296327676.db2.gz CXPMJBCNPHFYOP-FGTMMUONSA-N 2 0 320.502 2.834 20 0 DFADRP Fc1cccc(C2(C[NH2+][C@@H]3CCOC[C@@H]3[C@H]3CCC[NH2+]3)CC2)c1 ZINC000422756360 296327680 /nfs/dbraw/zinc/32/76/80/296327680.db2.gz CFMVPGHHNNOVSY-KZNAEPCWSA-N 2 0 318.436 2.604 20 0 DFADRP COc1ccc([C@@H](CN[C@@H](C)[C@H]2CCC[NH2+]2)[NH+]2CCCC2)cc1 ZINC000422760932 296328421 /nfs/dbraw/zinc/32/84/21/296328421.db2.gz QPVOQDTUGKYOIJ-KFKAGJAMSA-N 2 0 317.477 2.562 20 0 DFADRP CC(C)(C)[C@@H]1OCCC[C@@H]1C[NH2+][C@@H]1CCOC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000422760486 296328517 /nfs/dbraw/zinc/32/85/17/296328517.db2.gz LWANFXKHWSUXLB-DUQPFJRNSA-N 2 0 324.509 2.574 20 0 DFADRP COc1ccc([C@H](CN[C@H](C)[C@H]2CCC[NH2+]2)[NH+]2CCCC2)cc1 ZINC000422760934 296328606 /nfs/dbraw/zinc/32/86/06/296328606.db2.gz QPVOQDTUGKYOIJ-LZQZEXGQSA-N 2 0 317.477 2.562 20 0 DFADRP CC[C@H]([NH2+]CCc1ccc2c(c1)OCCO2)[C@H]1CCCC[NH2+]1 ZINC000422765465 296329678 /nfs/dbraw/zinc/32/96/78/296329678.db2.gz WBWLGKDYNGBBDO-JKSUJKDBSA-N 2 0 304.434 2.511 20 0 DFADRP COc1ccc([C@H](CN[C@@H]2CCC[C@@H]2C[NH3+])[NH+]2CCCC2)cc1 ZINC000422767147 296329700 /nfs/dbraw/zinc/32/97/00/296329700.db2.gz YEOXJIRJTLCSJO-QRQLOZEOSA-N 2 0 317.477 2.549 20 0 DFADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]CCN1c2ccccc2C[C@H]1C ZINC000422764405 296329432 /nfs/dbraw/zinc/32/94/32/296329432.db2.gz OLWQHUQUPIJSLF-CABCVRRESA-N 2 0 324.472 2.951 20 0 DFADRP Cc1nc(C[NH3+])ccc1[C@@H](C)NCC1([NH+](C)C)CCCCC1 ZINC000422766902 296329749 /nfs/dbraw/zinc/32/97/49/296329749.db2.gz XWMXSWWYHJHNGN-CQSZACIVSA-N 2 0 304.482 2.764 20 0 DFADRP C[C@H]([NH3+])[C@H]1COCC[C@H]1[NH2+]CCSc1ccc(Cl)cc1 ZINC000422774883 296330994 /nfs/dbraw/zinc/33/09/94/296330994.db2.gz YVJMCTBMEWHPEM-NILFDRSVSA-N 2 0 314.882 2.774 20 0 DFADRP [NH3+][C@@H]1C[C@H]([NH2+]CCCOCC2CCOCC2)c2ccccc21 ZINC000422775154 296331077 /nfs/dbraw/zinc/33/10/77/296331077.db2.gz AJRMFEGRPVTJKH-MSOLQXFVSA-N 2 0 304.434 2.554 20 0 DFADRP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]CCn1cnc2ccccc21 ZINC000422772851 296330690 /nfs/dbraw/zinc/33/06/90/296330690.db2.gz ZQMRWHUBDQWGHJ-YJBOKZPZSA-N 2 0 308.429 2.584 20 0 DFADRP Cc1nc(C[NH3+])ccc1[C@H](C)NCCC[NH+]1CCC(C)CC1 ZINC000422781064 296331963 /nfs/dbraw/zinc/33/19/63/296331963.db2.gz KDMPBXFJMJTFSZ-HNNXBMFYSA-N 2 0 304.482 2.621 20 0 DFADRP [NH3+]C[C@H]1CCCC[C@@H]1[NH2+]CCc1ccn(-c2ccc(F)cc2)n1 ZINC000422782220 296331856 /nfs/dbraw/zinc/33/18/56/296331856.db2.gz FZDQXOUQUKAYDP-KDOFPFPSSA-N 2 0 316.424 2.661 20 0 DFADRP c1ccc2c(c1)O[C@@]1(CC[NH2+]C1)C[C@@H]2[NH2+]CCCOCC1CC1 ZINC000422782704 296331922 /nfs/dbraw/zinc/33/19/22/296331922.db2.gz KCAAZOJPPWXJEG-HKUYNNGSSA-N 2 0 316.445 2.649 20 0 DFADRP Cc1nccn1CCCC[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1 ZINC000422778403 296331538 /nfs/dbraw/zinc/33/15/38/296331538.db2.gz HKLICRUAPYSASD-FGTMMUONSA-N 2 0 304.482 2.872 20 0 DFADRP [NH3+]C[C@H]1CCCC[C@@H]1[NH2+]Cc1ccc(C[NH+]2CCCC2)cc1 ZINC000422781356 296332010 /nfs/dbraw/zinc/33/20/10/296332010.db2.gz IORWJIZXZGXDIE-MOPGFXCFSA-N 3 0 301.478 2.890 20 0 DFADRP [NH3+]C[C@@H]1CCC[C@H]1[NH2+]CCNc1ncc(Cl)cc1Cl ZINC000422786349 296332619 /nfs/dbraw/zinc/33/26/19/296332619.db2.gz QFKWYXKRGQIRSW-JOYOIKCWSA-N 2 0 303.237 2.517 20 0 DFADRP COc1ccc(C[NH+]2CCC(C[NH2+][C@@H](C)CCC[NH3+])CC2)cc1 ZINC000422786181 296332805 /nfs/dbraw/zinc/33/28/05/296332805.db2.gz SIJKPFPRIWRSOI-INIZCTEOSA-N 3 0 319.493 2.624 20 0 DFADRP COc1ccc(CC[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)c(OC)c1 ZINC000422787698 296333044 /nfs/dbraw/zinc/33/30/44/296333044.db2.gz UXUBORPLOIKAQM-KSZLIROESA-N 2 0 318.461 2.757 20 0 DFADRP CC(C)C(=O)Nc1ccc(C[NH2+][C@H]2CC[NH2+]CC[C@H]2C)cc1 ZINC000422788386 296333062 /nfs/dbraw/zinc/33/30/62/296333062.db2.gz AMHPYAJFTCGMGQ-PBHICJAKSA-N 2 0 303.450 2.759 20 0 DFADRP Cc1nn(Cc2ccccc2)c(C)c1C[NH2+][C@@H](C)[C@H]1CC[NH2+]C1 ZINC000422793447 296333573 /nfs/dbraw/zinc/33/35/73/296333573.db2.gz SDPKLHYSEPANJR-KSSFIOAISA-N 2 0 312.461 2.636 20 0 DFADRP OCC[C@H](C[NH2+][C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1)c1ccccc1 ZINC000422792033 296333731 /nfs/dbraw/zinc/33/37/31/296333731.db2.gz WRTWPUABCZSJOV-FCGDIQPGSA-N 2 0 302.462 2.663 20 0 DFADRP C[C@H](C[NH2+][C@H]1CCC[C@@H]1[NH3+])Oc1ccc(Br)cc1 ZINC000422794479 296334024 /nfs/dbraw/zinc/33/40/24/296334024.db2.gz GTFSZPWEEJPQNJ-SWHYSGLUSA-N 2 0 313.239 2.686 20 0 DFADRP CCOC(=O)C1([C@H](C)[NH2+][C@@H]2CC[C@@H]3CCC[C@H]3C2)CC[NH2+]CC1 ZINC000422796000 296334405 /nfs/dbraw/zinc/33/44/05/296334405.db2.gz XHOKAJQLAHHLJR-LUKYLMHMSA-N 2 0 322.493 2.866 20 0 DFADRP CO[C@@H]1CCCC[C@@H]1[NH2+][C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422795435 296334601 /nfs/dbraw/zinc/33/46/01/296334601.db2.gz VOILQYITEMMRJQ-RNIPGJKVSA-N 2 0 316.445 2.790 20 0 DFADRP c1ccc2c(c1)CCC[C@@H]2C[NH2+][C@@H]1CCOC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000422805324 296336455 /nfs/dbraw/zinc/33/64/55/296336455.db2.gz LXFWBFZBUQAWRI-BTHPGYMESA-N 2 0 314.473 2.853 20 0 DFADRP COC[C@@H](CCC[NH3+])[NH2+][C@@H](C)c1ccc(OC(F)(F)F)cc1 ZINC000422803998 296335871 /nfs/dbraw/zinc/33/58/71/296335871.db2.gz GSULPICFHDMUSF-WCQYABFASA-N 2 0 320.355 2.990 20 0 DFADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]CCN1CCc2ccccc2C1 ZINC000422804735 296336277 /nfs/dbraw/zinc/33/62/77/296336277.db2.gz LAUINVMCAFKGPC-OAHLLOKOSA-N 2 0 324.472 2.558 20 0 DFADRP [NH3+]CC1CCC([NH2+]CCc2nc(C(F)(F)F)cs2)CC1 ZINC000422808534 296336961 /nfs/dbraw/zinc/33/69/61/296336961.db2.gz OHFAAJSERPCNSO-UHFFFAOYSA-N 2 0 307.385 2.812 20 0 DFADRP CC[C@@H](C[NH2+]C1CCC([NH3+])CC1)N1CCc2ccccc2C1 ZINC000422811379 296337162 /nfs/dbraw/zinc/33/71/62/296337162.db2.gz UOGCNLKMJACKJZ-ACBHZAAOSA-N 2 0 301.478 2.683 20 0 DFADRP CCN(CC)C(=O)c1ccc(C[NH2+][C@@H](C)CCCC[NH3+])cc1 ZINC000422814006 296338081 /nfs/dbraw/zinc/33/80/81/296338081.db2.gz SWIVHJZAABQLRY-HNNXBMFYSA-N 2 0 305.466 2.776 20 0 DFADRP C[C@@H](CCN[C@@H]1CC[NH2+]CC[C@H]1C)[N@H+](C)Cc1ccccc1 ZINC000422818516 296339164 /nfs/dbraw/zinc/33/91/64/296339164.db2.gz GOMMXGSQLLFNDW-ZIFCJYIRSA-N 2 0 303.494 2.875 20 0 DFADRP [NH3+]C[C@H]1CCCC[C@H]1[NH2+]CCc1nccn1Cc1ccccc1 ZINC000422820211 296339180 /nfs/dbraw/zinc/33/91/80/296339180.db2.gz PLUBDIPFEHGQOV-QZTJIDSGSA-N 2 0 312.461 2.581 20 0 DFADRP C[NH+](C)[C@]1(CN[C@@H]2CC[NH2+][C@@H](c3ccccc3)C2)CCSC1 ZINC000422817833 296338754 /nfs/dbraw/zinc/33/87/54/296338754.db2.gz DXDIPCFKYYKWSU-KURKYZTESA-N 2 0 319.518 2.507 20 0 DFADRP c1cn(Cc2cccc(C[NH2+][C@@H]3CCC[C@H]3[C@@H]3CCC[NH2+]3)c2)cn1 ZINC000422824730 296339598 /nfs/dbraw/zinc/33/95/98/296339598.db2.gz HYVSVFVWKMAPHU-SLFFLAALSA-N 2 0 324.472 2.942 20 0 DFADRP CCC[N@H+](CC)CCN[C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422823572 296339627 /nfs/dbraw/zinc/33/96/27/296339627.db2.gz LUAMPNVPYLCLBX-HKUYNNGSSA-N 2 0 317.477 2.564 20 0 DFADRP C[C@H](c1ccc2ccccc2c1)[N@@H+]1CC[C@@H](n2cc(C[NH3+])nn2)C1 ZINC000631846248 399507768 /nfs/dbraw/zinc/50/77/68/399507768.db2.gz WXXPFNYYUGVBSM-AUUYWEPGSA-N 2 0 321.428 2.898 20 0 DFADRP c1csc(C[NH+]2CCC(C[NH2+][C@@H]3CCC[NH2+]CC3)CC2)c1 ZINC000422825155 296339997 /nfs/dbraw/zinc/33/99/97/296339997.db2.gz JESXJNCYXZLWSP-MRXNPFEDSA-N 3 0 307.507 2.692 20 0 DFADRP c1csc(CN2CCC[C@H](C[NH2+][C@@H]3CCC[NH2+]CC3)C2)c1 ZINC000422829925 296340769 /nfs/dbraw/zinc/34/07/69/296340769.db2.gz CHLFDGWEEMZUNL-HZPDHXFCSA-N 2 0 307.507 2.692 20 0 DFADRP c1cc(C[NH2+]C2CC[NH2+]CC2)cc(C[NH+]2CCCCCC2)c1 ZINC000422826997 296340352 /nfs/dbraw/zinc/34/03/52/296340352.db2.gz MHNSHMJHQREDQV-UHFFFAOYSA-N 3 0 301.478 2.904 20 0 DFADRP c1c(CC[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)nc2n1CCCC2 ZINC000422830087 296340606 /nfs/dbraw/zinc/34/06/06/296340606.db2.gz HYVOJRSGMIEDDD-KZNAEPCWSA-N 2 0 316.493 2.662 20 0 DFADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]Cc1cnn(-c2ccccc2)c1 ZINC000422832512 296341461 /nfs/dbraw/zinc/34/14/61/296341461.db2.gz XUOVJWKRKVKDQJ-AWEZNQCLSA-N 2 0 321.428 2.885 20 0 DFADRP C[C@@H](N[C@@H]1CCC[N@H+](Cc2ccccc2)C1)[C@H]1CCCC[NH2+]1 ZINC000422833296 296341494 /nfs/dbraw/zinc/34/14/94/296341494.db2.gz MHHPGCXAJBCADQ-BHIYHBOVSA-N 2 0 301.478 2.771 20 0 DFADRP CCC(C)(C)[NH2+][C@H](C)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C(C)C ZINC000347016087 285004069 /nfs/dbraw/zinc/00/40/69/285004069.db2.gz OGBYZIKTGDIGEJ-OAGGEKHMSA-N 2 0 309.498 2.627 20 0 DFADRP c1cc(N2CCCC2)ncc1C[NH2+][C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000422835261 296341850 /nfs/dbraw/zinc/34/18/50/296341850.db2.gz YJKMIBOSVZORDX-RCCFBDPRSA-N 2 0 314.477 2.692 20 0 DFADRP C[C@H]([NH3+])[C@@H]1COCC[C@H]1[NH2+][C@@H]1CCSc2c(F)cccc21 ZINC000422844279 296343329 /nfs/dbraw/zinc/34/33/29/296343329.db2.gz LJQZXAYIHPUREK-OBCWZRDOSA-N 2 0 310.438 2.705 20 0 DFADRP C[C@H](C[NH2+][C@@H](C)C[C@H](C)[NH3+])Oc1ccccc1Br ZINC000422842876 296343000 /nfs/dbraw/zinc/34/30/00/296343000.db2.gz ZJWMGVZLZHCZPM-SDDRHHMPSA-N 2 0 315.255 2.932 20 0 DFADRP COCCOc1ccccc1C[NH+]1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000347069138 285011055 /nfs/dbraw/zinc/01/10/55/285011055.db2.gz OITNEHBKLZIKPP-GOSISDBHSA-N 2 0 318.461 2.676 20 0 DFADRP C[C@@H](CCC[NH3+])[NH2+]Cc1ccc(NC(=O)c2cccnc2)cc1 ZINC000422847036 296344068 /nfs/dbraw/zinc/34/40/68/296344068.db2.gz QVIAHRCSRAYHKH-AWEZNQCLSA-N 2 0 312.417 2.551 20 0 DFADRP CC(C)COc1ccc(CC[NH2+][C@@H]2CCOC[C@@H]2[C@H](C)[NH3+])cc1 ZINC000422854455 296345193 /nfs/dbraw/zinc/34/51/93/296345193.db2.gz ASQLXOHVJICLPU-KFKAGJAMSA-N 2 0 320.477 2.606 20 0 DFADRP COc1ccccc1N1CC[C@@H](C[NH2+][C@H](C)[C@H]2CCCC[NH2+]2)C1 ZINC000422853311 296345249 /nfs/dbraw/zinc/34/52/49/296345249.db2.gz RXRSKQPKNHGYEB-IXDOHACOSA-N 2 0 317.477 2.642 20 0 DFADRP COc1ccccc1N1CC[C@H](C[NH2+][C@H](C)[C@@H]2CCCC[NH2+]2)C1 ZINC000422853314 296345397 /nfs/dbraw/zinc/34/53/97/296345397.db2.gz RXRSKQPKNHGYEB-ZACQAIPSSA-N 2 0 317.477 2.642 20 0 DFADRP C[C@H]([NH3+])[C@H](Cc1ccccc1)NC[C@H](C)[N@@H+]1CCCC[C@@H]1C ZINC000422862116 296346401 /nfs/dbraw/zinc/34/64/01/296346401.db2.gz NKUBCIQLQRLFFB-DWRORGKVSA-N 2 0 303.494 2.797 20 0 DFADRP C[C@H](CN[C@@H](Cc1ccccc1)[C@H](C)[NH3+])[N@@H+]1CCCC[C@H]1C ZINC000422862118 296346458 /nfs/dbraw/zinc/34/64/58/296346458.db2.gz NKUBCIQLQRLFFB-VXNCWWDNSA-N 2 0 303.494 2.797 20 0 DFADRP CCOCCOCc1cccc(C[NH2+][C@H]2CCCC[C@H]2C[NH3+])c1 ZINC000422860253 296346057 /nfs/dbraw/zinc/34/60/57/296346057.db2.gz LFABNLUXQLCLBN-OALUTQOASA-N 2 0 320.477 2.847 20 0 DFADRP FC(F)(F)CN1CCC([NH2+][C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)CC1 ZINC000422859352 296346122 /nfs/dbraw/zinc/34/61/22/296346122.db2.gz JZQUKPYBTBJOPN-RBSFLKMASA-N 2 0 319.415 2.523 20 0 DFADRP FC(F)(F)CN1CCC([NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)CC1 ZINC000422859350 296346138 /nfs/dbraw/zinc/34/61/38/296346138.db2.gz JZQUKPYBTBJOPN-QLFBSQMISA-N 2 0 319.415 2.523 20 0 DFADRP Cc1ccc(C[NH2+][C@H](C)CCC[NH3+])c(OC[C@H]2CCCO2)c1 ZINC000422872031 296348004 /nfs/dbraw/zinc/34/80/04/296348004.db2.gz FJUSWPKZYXXVTD-NVXWUHKLSA-N 2 0 306.450 2.770 20 0 DFADRP C[C@@H]1CCC[N@H+](Cc2ccc(CN[C@@H]3CCC[C@H]3[NH3+])cc2)C1 ZINC000422868739 296347314 /nfs/dbraw/zinc/34/73/14/296347314.db2.gz VTWLPEVIWCDYSG-ATZDWAIDSA-N 2 0 301.478 2.888 20 0 DFADRP CCCOc1cc(C)ccc1C[NH2+][C@@H]1CCOC[C@@H]1[C@H](C)[NH3+] ZINC000422869506 296347586 /nfs/dbraw/zinc/34/75/86/296347586.db2.gz AKJHCZOXMKFICG-USXIJHARSA-N 2 0 306.450 2.626 20 0 DFADRP CCOCCOc1cc(C)ccc1C[NH2+][C@H]1CCC[C@H]1C[NH3+] ZINC000422870731 296347620 /nfs/dbraw/zinc/34/76/20/296347620.db2.gz YBDGUTZWNDGBFI-RDJZCZTQSA-N 2 0 306.450 2.627 20 0 DFADRP CCOCCOc1cc(C)ccc1C[NH2+][C@@H]1CCC[C@@H]1C[NH3+] ZINC000422870730 296347748 /nfs/dbraw/zinc/34/77/48/296347748.db2.gz YBDGUTZWNDGBFI-NVXWUHKLSA-N 2 0 306.450 2.627 20 0 DFADRP C[C@@H](CCC[NH3+])[NH2+][C@@H](C)c1ccc(NC(=O)NC2CC2)cc1 ZINC000422877366 296349157 /nfs/dbraw/zinc/34/91/57/296349157.db2.gz HWDWPNAUBHQQCQ-STQMWFEESA-N 2 0 304.438 2.749 20 0 DFADRP Cc1nc(C[NH3+])ccc1[C@H](C)N[C@@H](C)C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000422874535 296348435 /nfs/dbraw/zinc/34/84/35/296348435.db2.gz AIBAONOFTUJNFB-FZKCQIBNSA-N 2 0 318.509 2.866 20 0 DFADRP C[C@H](N[C@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1)[C@@H]1CCCC[NH2+]1 ZINC000422873758 296348441 /nfs/dbraw/zinc/34/84/41/296348441.db2.gz MBFOMZVZAUHZIA-NEPXVJNWSA-N 2 0 301.478 2.770 20 0 DFADRP CSc1ccc(C[NH2+][C@@H]2CCOC[C@H]2[C@H]2CCC[NH2+]2)cc1 ZINC000422874742 296348823 /nfs/dbraw/zinc/34/88/23/296348823.db2.gz AYHGCVRZKXOTIM-GVDBMIGSSA-N 2 0 306.475 2.655 20 0 DFADRP C[C@H]1CC[NH2+]CC[C@H]1[NH2+]Cc1ccc(N2CCCCC2)nc1 ZINC000422875202 296348852 /nfs/dbraw/zinc/34/88/52/296348852.db2.gz CFTBYEGPYLFTPJ-DOTOQJQBSA-N 2 0 302.466 2.550 20 0 DFADRP CC[N@H+](CCN[C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)C(C)C ZINC000422883881 296349996 /nfs/dbraw/zinc/34/99/96/296349996.db2.gz VUXALTNBLLUYTR-PKOBYXMFSA-N 2 0 317.477 2.562 20 0 DFADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccc(N2CCCCC2)nc1 ZINC000422878959 296349476 /nfs/dbraw/zinc/34/94/76/296349476.db2.gz LNKKQWBNFHYSHD-IRXDYDNUSA-N 2 0 302.466 2.679 20 0 DFADRP Cc1ccccc1C1(C[NH2+][C@H]2CCC[C@H]2C[NH3+])CCOCC1 ZINC000422882262 296349737 /nfs/dbraw/zinc/34/97/37/296349737.db2.gz RRZKAWBYDRRIMM-WMZOPIPTSA-N 2 0 302.462 2.760 20 0 DFADRP C[C@@H]([NH2+][C@@H](C)c1cccc(OCC[NH+](C)C)c1)[C@@H]1CCOC1 ZINC000119632004 195006353 /nfs/dbraw/zinc/00/63/53/195006353.db2.gz FLFUZMHOKSKVDT-ZMSDIMECSA-N 2 0 306.450 2.703 20 0 DFADRP CC1CCN(c2ccc(C[NH2+][C@@H]3CC[NH2+]CC[C@@H]3C)cn2)CC1 ZINC000422890939 296351561 /nfs/dbraw/zinc/35/15/61/296351561.db2.gz JPWYSIFIEUWQEB-FUHWJXTLSA-N 2 0 316.493 2.796 20 0 DFADRP Cc1cccc(OC[C@H](O)C[NH2+][C@@H](C)C[C@H]2CCCCC[NH2+]2)c1 ZINC000422901879 296352946 /nfs/dbraw/zinc/35/29/46/296352946.db2.gz SQQNEZNVWUJAOQ-RCCFBDPRSA-N 2 0 320.477 2.635 20 0 DFADRP CC1CCN(c2ccc(C[NH2+][C@@H]3CCCC[C@H]3C[NH3+])cn2)CC1 ZINC000422892562 296351928 /nfs/dbraw/zinc/35/19/28/296351928.db2.gz NIHPDACBXHLGSF-ZWKOTPCHSA-N 2 0 316.493 2.925 20 0 DFADRP C[C@H]([NH2+]CCc1ccc(OC(F)(F)F)cc1)[C@@H]1CC[NH2+]C1 ZINC000422894841 296352160 /nfs/dbraw/zinc/35/21/60/296352160.db2.gz UPUDHKCVTAERMS-WCQYABFASA-N 2 0 302.340 2.715 20 0 DFADRP CC[C@@H](NCc1ccc(OCC[NH+](C)C)cc1)[C@@H]1CCCC[NH2+]1 ZINC000422896406 296352223 /nfs/dbraw/zinc/35/22/23/296352223.db2.gz IDZTUHWSRTVDLO-MOPGFXCFSA-N 2 0 319.493 2.637 20 0 DFADRP C[C@H]([NH2+][C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)C1CCOCC1 ZINC000422895809 296352282 /nfs/dbraw/zinc/35/22/82/296352282.db2.gz WTZNOIXTWXDBMT-POZUXBRTSA-N 2 0 316.445 2.647 20 0 DFADRP C[C@H]([NH2+][C@@H](C)C1C[NH2+]C1)c1ccc(OCC(F)(F)F)cc1 ZINC000422897277 296352486 /nfs/dbraw/zinc/35/24/86/296352486.db2.gz BVFWULMZVFXFNS-QWRGUYRKSA-N 2 0 302.340 2.886 20 0 DFADRP CC[C@H](C)[N@H+](C)CCN[C@H](c1ccc(OC)cc1)[C@@H]1CCC[NH2+]1 ZINC000422904233 296353786 /nfs/dbraw/zinc/35/37/86/296353786.db2.gz GKZYDLCNZREVFJ-ZYSHUDEJSA-N 2 0 319.493 2.808 20 0 DFADRP Fc1cccc(F)c1CN1CCC[C@@H]([NH2+][C@H]2CCC[NH2+]CC2)C1 ZINC000422906522 296354392 /nfs/dbraw/zinc/35/43/92/296354392.db2.gz KBIWJFYWRNJNLR-LSDHHAIUSA-N 2 0 323.431 2.661 20 0 DFADRP COc1ccc(Cl)cc1N1CC[C@H]([NH2+][C@H]2CCC[NH2+]CC2)C1 ZINC000422907245 296354397 /nfs/dbraw/zinc/35/43/97/296354397.db2.gz LFCFABODVKURDI-GJZGRUSLSA-N 2 0 323.868 2.659 20 0 DFADRP COC(=O)c1csc(C[NH2+]CCCCC[NH+]2CCCC2)c1 ZINC000602674932 399515639 /nfs/dbraw/zinc/51/56/39/399515639.db2.gz GABLTYNPMRSDOM-UHFFFAOYSA-N 2 0 310.463 2.890 20 0 DFADRP CCc1nc(CN2CCC(C[NH2+][C@@H](C)CCC[NH3+])CC2)cs1 ZINC000422914520 296355255 /nfs/dbraw/zinc/35/52/55/296355255.db2.gz UPBCGAIXXSEYPR-AWEZNQCLSA-N 2 0 324.538 2.635 20 0 DFADRP C[C@H](O)CC(C)(C)C[NH2+][C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422919437 296355630 /nfs/dbraw/zinc/35/56/30/296355630.db2.gz JYINRFWRXWIXHN-QOKNQOGYSA-N 2 0 318.461 2.629 20 0 DFADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]C[C@H]1CCCO[C@@H]1C(C)C ZINC000422921605 296355711 /nfs/dbraw/zinc/35/57/11/296355711.db2.gz QQAVYJDDSZPWBT-JCKWVBRZSA-N 2 0 305.466 2.951 20 0 DFADRP C[C@H]([NH3+])C[C@H](C)[NH2+]Cc1ccc(C(=O)N2CCCCC2)cc1 ZINC000422926765 296356017 /nfs/dbraw/zinc/35/60/17/296356017.db2.gz DYGKVENPNFCOEX-GJZGRUSLSA-N 2 0 303.450 2.528 20 0 DFADRP Cc1csc(CCCC[NH2+][C@@H]2CCOC[C@H]2[C@H]2CCC[NH2+]2)n1 ZINC000422911680 296354827 /nfs/dbraw/zinc/35/48/27/296354827.db2.gz UFBKIJOQYYICHE-ARFHVFGLSA-N 2 0 323.506 2.521 20 0 DFADRP CCC[C@H]([NH2+][C@@H](C)C[C@@H](C)[NH3+])C(=O)N1CCc2sccc2C1 ZINC000422913307 296355096 /nfs/dbraw/zinc/35/50/96/296355096.db2.gz YEQXRBYRKIAHMN-IPYPFGDCSA-N 2 0 323.506 2.517 20 0 DFADRP COC[C@@H](CCC[NH3+])[NH2+][C@H](C)c1nc(-c2ccncc2)cs1 ZINC000422914845 296355162 /nfs/dbraw/zinc/35/51/62/296355162.db2.gz WFNVSORQTDKGRD-TZMCWYRMSA-N 2 0 320.462 2.610 20 0 DFADRP [NH3+][C@H]1CCCCC[C@H]1[NH2+]CCc1cc(Cl)c2c(c1)OCCO2 ZINC000422929434 296356953 /nfs/dbraw/zinc/35/69/53/296356953.db2.gz PZQSOGHLLKYNNQ-LSDHHAIUSA-N 2 0 324.852 2.903 20 0 DFADRP C[C@@H]([NH3+])C[C@H](C)[NH2+]CCc1ccc(F)c(Br)c1 ZINC000422931137 296356974 /nfs/dbraw/zinc/35/69/74/296356974.db2.gz AQWIWNGXCQMXRQ-ZJUUUORDSA-N 2 0 303.219 2.846 20 0 DFADRP CCOC(=O)C1([C@H](C)[NH2+]C2(c3ccccc3)CC2)CC[NH2+]CC1 ZINC000422936987 296357887 /nfs/dbraw/zinc/35/78/87/296357887.db2.gz NKRYORCZCVSMJK-HNNXBMFYSA-N 2 0 316.445 2.587 20 0 DFADRP COc1ccc(Br)cc1C[NH2+][C@@H](C)C[C@@H](C)[NH3+] ZINC000422937410 296358059 /nfs/dbraw/zinc/35/80/59/296358059.db2.gz CIUDDBCYRDVDBI-ZJUUUORDSA-N 2 0 301.228 2.673 20 0 DFADRP C[C@H]([NH3+])[C@H]1COCC[C@@H]1[NH2+]CCOc1cccc2ccccc21 ZINC000422936601 296358069 /nfs/dbraw/zinc/35/80/69/296358069.db2.gz FJJJMIALOOKZKK-QGTPRVQTSA-N 2 0 314.429 2.561 20 0 DFADRP c1cc2c(cc1[C@@H]([NH2+][C@H]1CCC[NH2+]CC1)C1CC1)OCCO2 ZINC000422938573 296358252 /nfs/dbraw/zinc/35/82/52/296358252.db2.gz HEZRGCYVTDVYFR-YJBOKZPZSA-N 2 0 302.418 2.641 20 0 DFADRP C[C@@H]([NH2+]CCOc1cccc(C(F)(F)F)c1)[C@H]1CC[NH2+]C1 ZINC000422939230 296358322 /nfs/dbraw/zinc/35/83/22/296358322.db2.gz IABBKMYIIPZWKZ-NEPJUHHUSA-N 2 0 302.340 2.672 20 0 DFADRP CCCCNC(=O)c1ccc(C[NH2+][C@H]2CC[NH2+]CC[C@H]2C)cc1 ZINC000422942756 296358646 /nfs/dbraw/zinc/35/86/46/296358646.db2.gz PYJDWASMSBMWPS-QAPCUYQASA-N 2 0 317.477 2.694 20 0 DFADRP C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)c2ccc3c(c2)C[NH2+]C3)C1 ZINC000347501852 285060840 /nfs/dbraw/zinc/06/08/40/285060840.db2.gz MUYWVOYFWFDPCK-AWEZNQCLSA-N 2 0 315.461 2.530 20 0 DFADRP COc1ccc(Br)cc1C[NH2+][C@H](C)C[C@H](C)[NH3+] ZINC000422937409 296357835 /nfs/dbraw/zinc/35/78/35/296357835.db2.gz CIUDDBCYRDVDBI-VHSXEESVSA-N 2 0 301.228 2.673 20 0 DFADRP Clc1ccc(CC[NH2+][C@@H]2CCOC[C@@H]2[C@@H]2CCC[NH2+]2)s1 ZINC000422946997 296359195 /nfs/dbraw/zinc/35/91/95/296359195.db2.gz XPFSDGNKQKDPNB-HZSPNIEDSA-N 2 0 314.882 2.691 20 0 DFADRP CSc1ccc(OCC[N@@H+]2CCC[C@H]3C[NH2+]CC[C@H]32)cc1 ZINC000631887590 399519982 /nfs/dbraw/zinc/51/99/82/399519982.db2.gz PEFXATZKAATOIR-WMLDXEAASA-N 2 0 306.475 2.861 20 0 DFADRP C[C@H]([NH2+]CCc1coc(-c2ccc(F)cc2)n1)[C@@H]1CC[NH2+]C1 ZINC000422945804 296358833 /nfs/dbraw/zinc/35/88/33/296358833.db2.gz NYBGNJBRNFOZBM-GXTWGEPZSA-N 2 0 303.381 2.611 20 0 DFADRP C[C@@H]([NH3+])C[C@H](C)[NH2+]CCCc1nc(-c2ccncc2)cs1 ZINC000422956964 296360699 /nfs/dbraw/zinc/36/06/99/296360699.db2.gz RSPWDLZVGUGDSA-OLZOCXBDSA-N 2 0 304.463 2.853 20 0 DFADRP [NH3+]C[C@H]1CCC[C@@H]1[NH2+]CCCc1nc(-c2ccncc2)cs1 ZINC000422956959 296360731 /nfs/dbraw/zinc/36/07/31/296360731.db2.gz RSNZYPAAUPDNJY-CABCVRRESA-N 2 0 316.474 2.855 20 0 DFADRP C[C@H](Nc1cccc(C[NH+]2C[C@@H](C)O[C@H](C)C2)c1)[C@@H]1CCC[NH2+]1 ZINC000422958896 296360907 /nfs/dbraw/zinc/36/09/07/296360907.db2.gz ZHDFPDQQIZARQS-JEWRLFTDSA-N 2 0 317.477 2.848 20 0 DFADRP C[C@@H](CCC[NH3+])[NH2+]CCCc1nc(-c2ccncc2)cs1 ZINC000422957480 296361099 /nfs/dbraw/zinc/36/10/99/296361099.db2.gz UIPUDXQMAIVEAW-ZDUSSCGKSA-N 2 0 304.463 2.855 20 0 DFADRP [NH3+]C[C@H]1CCC[C@@H]1Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000422957538 296361117 /nfs/dbraw/zinc/36/11/17/296361117.db2.gz UQULEBHRBYICJS-WBVHZDCISA-N 2 0 305.491 2.775 20 0 DFADRP C[C@@H]([NH2+]CC1(c2ccccc2Cl)CCOCC1)C1C[NH2+]C1 ZINC000422959987 296361251 /nfs/dbraw/zinc/36/12/51/296361251.db2.gz UXHWDIULDLGRDU-CYBMUJFWSA-N 2 0 308.853 2.586 20 0 DFADRP c1ccc(C2CC([NH2+][C@@H]3CCOC[C@@H]3[C@@H]3CCC[NH2+]3)C2)cc1 ZINC000422963002 296361590 /nfs/dbraw/zinc/36/15/90/296361590.db2.gz DYMZFOOMRASONM-QCRHNUIXSA-N 2 0 300.446 2.679 20 0 DFADRP Cc1nn(-c2ccccc2)cc1CCC[NH2+][C@H]1CCC[NH2+]CC1 ZINC000422965246 296361946 /nfs/dbraw/zinc/36/19/46/296361946.db2.gz OCRFWARJLPUMCW-SFHVURJKSA-N 2 0 312.461 2.845 20 0 DFADRP C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)c1nc2ccccc2n2cncc12 ZINC000624024461 399527799 /nfs/dbraw/zinc/52/77/99/399527799.db2.gz LAUGGZZUUIRHAC-HIFRSBDPSA-N 2 0 309.417 2.659 20 0 DFADRP C[C@@H](CCCC[NH3+])[NH2+]C1CCN([C@@H](C)c2ccncc2)CC1 ZINC000422965530 296362178 /nfs/dbraw/zinc/36/21/78/296362178.db2.gz LIIJDRSJHKMVFR-HOTGVXAUSA-N 2 0 304.482 2.714 20 0 DFADRP Cc1nn(-c2ccccc2)cc1CCC[NH2+][C@@H](C)C[C@@H](C)[NH3+] ZINC000422968079 296362534 /nfs/dbraw/zinc/36/25/34/296362534.db2.gz VLZRIXHXKRKNOM-CABCVRRESA-N 2 0 300.450 2.829 20 0 DFADRP CCCOc1ccc(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)cn1 ZINC000422981441 296363893 /nfs/dbraw/zinc/36/38/93/296363893.db2.gz SUYKFIKLTCWLPI-YESZJQIVSA-N 2 0 303.450 2.881 20 0 DFADRP CC(C)C[C@H](C)Oc1cc(C[NH2+][C@@H](C)[C@H]2CC[NH2+]C2)ccn1 ZINC000422982414 296363980 /nfs/dbraw/zinc/36/39/80/296363980.db2.gz WPSOZMJTUKLLER-ZOBUZTSGSA-N 2 0 305.466 2.983 20 0 DFADRP Cc1cc(C)c(CC[NH2+][C@@H]2CCOC[C@H]2[C@H]2CCC[NH2+]2)c(C)c1 ZINC000422997145 296365169 /nfs/dbraw/zinc/36/51/69/296365169.db2.gz AOVIRLLQXWNPBE-XUVXKRRUSA-N 2 0 316.489 2.901 20 0 DFADRP C[C@H](CCCC[NH3+])[NH2+][C@H](CO)c1cccc(Br)c1 ZINC000422990691 296364743 /nfs/dbraw/zinc/36/47/43/296364743.db2.gz OJHYIQVJIMPFGS-BXUZGUMPSA-N 2 0 315.255 2.590 20 0 DFADRP c1ccc(CC2(C[NH2+][C@@H]3CCOC[C@H]3[C@@H]3CCC[NH2+]3)CC2)cc1 ZINC000422993822 296364793 /nfs/dbraw/zinc/36/47/93/296364793.db2.gz GKGOXIBGHIPXEJ-GBESFXJTSA-N 2 0 314.473 2.756 20 0 DFADRP Cc1cc(C[C@@H](C)[NH2+][C@H]2CCC[NH2+]CC2)n(-c2ccccc2)n1 ZINC000422994503 296364931 /nfs/dbraw/zinc/36/49/31/296364931.db2.gz HXFXWLPZOXXZFX-WBVHZDCISA-N 2 0 312.461 2.843 20 0 DFADRP Cc1cc(C[C@H](C)[NH2+][C@@H](C)C[C@H](C)[NH3+])n(-c2ccccc2)n1 ZINC000423000586 296365773 /nfs/dbraw/zinc/36/57/73/296365773.db2.gz VQBHKDNJJFPCAK-KKUMJFAQSA-N 2 0 300.450 2.827 20 0 DFADRP Cc1cc(C[C@H](C)[NH2+][C@H](C)C[C@@H](C)[NH3+])n(-c2ccccc2)n1 ZINC000423000585 296365915 /nfs/dbraw/zinc/36/59/15/296365915.db2.gz VQBHKDNJJFPCAK-KFWWJZLASA-N 2 0 300.450 2.827 20 0 DFADRP OC[C@H](C[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1)c1ccccc1 ZINC000423001195 296366068 /nfs/dbraw/zinc/36/60/68/296366068.db2.gz DESLLJOUOVVVQO-CADBVGFASA-N 2 0 302.462 2.663 20 0 DFADRP Cc1cn2c(n1)[C@H](C[NH2+][C@H](C)C[C@@H]1CCCCC[NH2+]1)CCC2 ZINC000423004104 296366253 /nfs/dbraw/zinc/36/62/53/296366253.db2.gz JEHVFAFUEYILDE-PVAVHDDUSA-N 2 0 304.482 2.969 20 0 DFADRP C[C@H](C[C@H](C)[NH3+])[NH2+]Cc1cccc(COCC(F)(F)F)c1 ZINC000423004403 296366275 /nfs/dbraw/zinc/36/62/75/296366275.db2.gz OXEDTOYVGZYURW-NWDGAFQWSA-N 2 0 304.356 2.981 20 0 DFADRP C[C@H]([NH2+]Cc1cccc(COCC(F)(F)F)c1)[C@H]1CC[NH2+]C1 ZINC000422997189 296365332 /nfs/dbraw/zinc/36/53/32/296365332.db2.gz AULDWBLXFMQTCI-WFASDCNBSA-N 2 0 316.367 2.853 20 0 DFADRP Fc1ccccc1N1CCC[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000423010242 296367208 /nfs/dbraw/zinc/36/72/08/296367208.db2.gz FZFVXFVZRIJUSO-QGPPMGRFSA-N 2 0 303.425 2.667 20 0 DFADRP COc1ccc(OC)c(CCC[NH2+][C@H]2CC[NH2+]CC[C@@H]2C)c1 ZINC000423009041 296367214 /nfs/dbraw/zinc/36/72/14/296367214.db2.gz BSHUKZSFPZHVQJ-YOEHRIQHSA-N 2 0 306.450 2.614 20 0 DFADRP C[C@@H]1C[C@H](CC[NH2+][C@@H]2CCC[C@@H]2[NH3+])C[N@@H+]1Cc1ccccc1 ZINC000423006185 296366585 /nfs/dbraw/zinc/36/65/85/296366585.db2.gz UKOKCNONOARTNY-XGXHKWSGSA-N 3 0 301.478 2.757 20 0 DFADRP Cc1cncc(C[NH2+][C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)c1 ZINC000423010235 296366983 /nfs/dbraw/zinc/36/69/83/296366983.db2.gz FYJQTHDJVXPQNA-MJGOQNOKSA-N 2 0 309.413 2.736 20 0 DFADRP CCO[C@H](C[N@@H+]1CC[C@H](CN(C)Cc2cccnc2)C1)C1CC1 ZINC000625378476 399538494 /nfs/dbraw/zinc/53/84/94/399538494.db2.gz ICEHWEJMMSUGCF-IEBWSBKVSA-N 2 0 317.477 2.650 20 0 DFADRP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+][C@@H]1CCCN(c2ccccc2F)C1 ZINC000423014048 296367816 /nfs/dbraw/zinc/36/78/16/296367816.db2.gz NYUBGJBYJBBNOO-ZMSDIMECSA-N 2 0 305.441 2.902 20 0 DFADRP CC(C)C[C@@H]([NH2+][C@@H](C)CCCC[NH3+])C(=O)Nc1nccs1 ZINC000423014136 296367917 /nfs/dbraw/zinc/36/79/17/296367917.db2.gz HJTXGXXVPBIEQO-QWHCGFSZSA-N 2 0 312.483 2.603 20 0 DFADRP CN1CC[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)[C@@H]1c1ccc(Cl)cc1 ZINC000423015811 296368091 /nfs/dbraw/zinc/36/80/91/296368091.db2.gz RWFMPUIDJMNYPT-CIQAELJKSA-N 2 0 319.880 2.958 20 0 DFADRP C[C@H]([NH3+])C[C@H](C)[NH2+][C@@H]1CCN(C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000423012400 296367408 /nfs/dbraw/zinc/36/74/08/296367408.db2.gz KRFNQVNIJBWSFP-DPDCMNJDSA-N 2 0 313.848 2.940 20 0 DFADRP CC(C)CSCCC[NH2+][C@@H]1CCOC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000423013239 296367490 /nfs/dbraw/zinc/36/74/90/296367490.db2.gz MIKAUFPOYWNZCP-BZUAXINKSA-N 2 0 300.512 2.512 20 0 DFADRP CN1CC[C@@H]([NH2+]C2CC[NH2+]CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000423018351 296368382 /nfs/dbraw/zinc/36/83/82/296368382.db2.gz YQLMLWBUWIMYGN-HZPDHXFCSA-N 2 0 311.832 2.566 20 0 DFADRP COc1ccccc1OC[C@@H](C)C[NH2+]C1CCC(C[NH3+])CC1 ZINC000423021101 296368816 /nfs/dbraw/zinc/36/88/16/296368816.db2.gz DIIPPHRJGKTWAX-FHERZECASA-N 2 0 306.450 2.817 20 0 DFADRP COc1ccccc1OC[C@H](C)C[NH2+][C@@H]1CCCCC[C@@H]1[NH3+] ZINC000423022035 296368940 /nfs/dbraw/zinc/36/89/40/296368940.db2.gz GVGRDCKBIFXQRM-OWCLPIDISA-N 2 0 306.450 2.960 20 0 DFADRP COc1ccc(C[C@H](C)C[NH2+][C@H](C)[C@H]2CCC[NH2+]2)cc1OC ZINC000423033975 296370246 /nfs/dbraw/zinc/37/02/46/296370246.db2.gz ZZAJLVHHMQCWAU-SQWLQELKSA-N 2 0 306.450 2.613 20 0 DFADRP C[C@@H](CCC[NH3+])[NH2+][C@H](CCO)c1ccccc1Br ZINC000423033542 296370385 /nfs/dbraw/zinc/37/03/85/296370385.db2.gz OPEDPSRIDNLFSE-SMDDNHRTSA-N 2 0 315.255 2.590 20 0 DFADRP CC(C)[NH+]1CCN(c2cccc(N[C@H](C)[C@@H]3CCC[NH2+]3)c2)CC1 ZINC000423029171 296369643 /nfs/dbraw/zinc/36/96/43/296369643.db2.gz RUSZUPAWYRBYJR-APWZRJJASA-N 2 0 316.493 2.769 20 0 DFADRP CS[C@H](C[NH2+][C@@H]1CCOC[C@H]1[C@@H]1CCC[NH2+]1)C(C)(C)C ZINC000423031985 296369848 /nfs/dbraw/zinc/36/98/48/296369848.db2.gz LYWUFUDZGWWWMY-BYNSBNAKSA-N 2 0 300.512 2.511 20 0 DFADRP C[C@@H]([NH3+])C[C@H](C)[NH2+]CCCc1nc(-c2ccc(F)cc2)no1 ZINC000423030939 296369997 /nfs/dbraw/zinc/36/99/97/296369997.db2.gz KJHQFBPSQSGLTL-NEPJUHHUSA-N 2 0 306.385 2.524 20 0 DFADRP C[C@H]([NH3+])[C@H]1COCC[C@H]1[NH2+]Cc1ccccc1N1CCCCC1 ZINC000423041993 296371105 /nfs/dbraw/zinc/37/11/05/296371105.db2.gz KCLKCYKIIULZMP-CGTJXYLNSA-N 2 0 317.477 2.519 20 0 DFADRP Brc1ccc2[nH]cc(CC[NH2+]C3CC[NH2+]CC3)c2c1 ZINC000423037195 296370662 /nfs/dbraw/zinc/37/06/62/296370662.db2.gz VRHMOVACYIRJKR-UHFFFAOYSA-N 2 0 322.250 2.815 20 0 DFADRP CCOC(=O)C1([C@@H](C)[NH2+][C@H](CC)CC(F)(F)F)CC[NH2+]CC1 ZINC000423040951 296371074 /nfs/dbraw/zinc/37/10/74/296371074.db2.gz VQKMTCSDXSDPSN-VXGBXAGGSA-N 2 0 324.387 2.628 20 0 DFADRP C[NH+]1CCC(C)(C[NH2+][C@@H]2CCN[C@H](c3ccccc3)C2)CC1 ZINC000423046754 296371573 /nfs/dbraw/zinc/37/15/73/296371573.db2.gz UMYIVEZOOYHCEO-MSOLQXFVSA-N 2 0 301.478 2.801 20 0 DFADRP C[C@@H]([NH3+])C[C@H](C)[NH2+]Cc1cc(Br)cc2c1OCC2 ZINC000423048058 296371662 /nfs/dbraw/zinc/37/16/62/296371662.db2.gz ICNJHKGTEYLENV-ZJUUUORDSA-N 2 0 313.239 2.599 20 0 DFADRP COc1ccc([C@H](NCC2([NH+](C)C)CCC2)[C@H]2CCC[NH2+]2)cc1 ZINC000423053867 296372505 /nfs/dbraw/zinc/37/25/05/296372505.db2.gz BEALIVQJIDJTHN-MSOLQXFVSA-N 2 0 317.477 2.562 20 0 DFADRP C[C@H]([NH2+]Cc1cc2cc(Br)ccc2[nH]1)C1C[NH2+]C1 ZINC000423052935 296372553 /nfs/dbraw/zinc/37/25/53/296372553.db2.gz RJPSEFSSMIBYRH-VIFPVBQESA-N 2 0 308.223 2.628 20 0 DFADRP Cn1c(C[NH2+]C2CCC(C[NH3+])CC2)nc2cccc(Cl)c21 ZINC000423055413 296372682 /nfs/dbraw/zinc/37/26/82/296372682.db2.gz WBGTUNQFORKTFJ-UHFFFAOYSA-N 2 0 306.841 2.834 20 0 DFADRP OC[C@H](N[C@@H]1CC[NH2+][C@H](c2ccccc2)C1)c1ccsc1 ZINC000423056088 296372714 /nfs/dbraw/zinc/37/27/14/296372714.db2.gz XARSMNYTPOWTDA-IKGGRYGDSA-N 2 0 302.443 2.864 20 0 DFADRP C[C@@H](NC[C@H](C1CC1)[N@H+](C)Cc1ccccc1)[C@@H]1CCC[NH2+]1 ZINC000423059356 296373292 /nfs/dbraw/zinc/37/32/92/296373292.db2.gz FKIDQLCDZVIJQG-AYOQOUSVSA-N 2 0 301.478 2.627 20 0 DFADRP CN1C[C@H](C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)Cc2ccccc21 ZINC000423059897 296373492 /nfs/dbraw/zinc/37/34/92/296373492.db2.gz NBWFVOUHYAYDGW-WZGPROSRSA-N 2 0 313.489 2.805 20 0 DFADRP [NH3+]CC1CCC([NH2+]C[C@@]2(O)CCC[C@@H](C(F)(F)F)C2)CC1 ZINC000423060224 296373584 /nfs/dbraw/zinc/37/35/84/296373584.db2.gz HSUXZBTZZQONHM-FKZOYECMSA-N 2 0 308.388 2.577 20 0 DFADRP CN1C[C@H](C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)Cc2ccccc21 ZINC000423059896 296373593 /nfs/dbraw/zinc/37/35/93/296373593.db2.gz NBWFVOUHYAYDGW-JCHJZTRSSA-N 2 0 313.489 2.805 20 0 DFADRP C[N@H+](Cc1ccccc1)[C@H](CNC1C[C@H]2CC[C@@H](C1)[NH2+]2)C1CC1 ZINC000423058415 296373096 /nfs/dbraw/zinc/37/30/96/296373096.db2.gz CFWWRJDNOYCVBX-JIRNRHONSA-N 2 0 313.489 2.770 20 0 DFADRP C[N@H+](Cc1ccccc1)[C@@H](CNC1C[C@H]2CC[C@@H](C1)[NH2+]2)C1CC1 ZINC000423058416 296373109 /nfs/dbraw/zinc/37/31/09/296373109.db2.gz CFWWRJDNOYCVBX-XNMUZJSGSA-N 2 0 313.489 2.770 20 0 DFADRP CC[C@H]([NH2+]CC1CCN(CC(F)(F)F)CC1)[C@@H]1CCCC[NH2+]1 ZINC000423065372 296374196 /nfs/dbraw/zinc/37/41/96/296374196.db2.gz UILSECKCLIPZCU-GJZGRUSLSA-N 2 0 321.431 2.771 20 0 DFADRP Clc1ccc(N2CC[C@@H]([NH2+]C3CC[NH2+]CC3)C2)c(Cl)c1 ZINC000423064784 296374226 /nfs/dbraw/zinc/37/42/26/296374226.db2.gz AJBBNLBVSKADFY-CYBMUJFWSA-N 2 0 314.260 2.914 20 0 DFADRP CC[C@@H]([NH2+]CC1CCN(CC(F)(F)F)CC1)[C@H]1CCCC[NH2+]1 ZINC000423065373 296374242 /nfs/dbraw/zinc/37/42/42/296374242.db2.gz UILSECKCLIPZCU-HUUCEWRRSA-N 2 0 321.431 2.771 20 0 DFADRP COC[C@@H](CCC[NH3+])[NH2+][C@@H](C)c1ccc(Br)s1 ZINC000423062709 296373777 /nfs/dbraw/zinc/37/37/77/296373777.db2.gz UTBMWCILFBRROI-VHSXEESVSA-N 2 0 321.284 2.915 20 0 DFADRP C[C@H](CCC[NH3+])[NH2+]C[C@@]1(Cc2ccc(F)cc2)CCC[C@H]1O ZINC000423071338 296374965 /nfs/dbraw/zinc/37/49/65/296374965.db2.gz FJLBZPJOYAPJQJ-OLMNPRSZSA-N 2 0 308.441 2.616 20 0 DFADRP CCOC[C@H]([NH2+][C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)C(C)C ZINC000423074492 296375264 /nfs/dbraw/zinc/37/52/64/296375264.db2.gz UVGOMFUMWIAKDE-AOIWGVFYSA-N 2 0 318.461 2.893 20 0 DFADRP CCC(O)(CC)CC[NH2+][C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423074571 296375283 /nfs/dbraw/zinc/37/52/83/296375283.db2.gz UZYJSTNZRAYEON-APWZRJJASA-N 2 0 318.461 2.773 20 0 DFADRP CO[C@H](CC[NH2+][C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1)C(F)(F)F ZINC000423073658 296375289 /nfs/dbraw/zinc/37/52/89/296375289.db2.gz ROZYIHWYBUWCLL-REWJHTLYSA-N 2 0 308.388 2.854 20 0 DFADRP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC[C@H]1CCC[NH+]1C ZINC000624100796 399553409 /nfs/dbraw/zinc/55/34/09/399553409.db2.gz HUCGMDJAFBCCKP-UHOSZYNNSA-N 2 0 301.478 2.581 20 0 DFADRP C[C@@H]([NH3+])[C@H](Cc1ccccc1)NC1CC([NH+]2CCCCC2)C1 ZINC000423095488 296377978 /nfs/dbraw/zinc/37/79/78/296377978.db2.gz MNLHPROPRJWWKC-HJZRJOMTSA-N 2 0 301.478 2.551 20 0 DFADRP [NH3+][C@H]1CCC[C@H]1[NH2+]CCc1cccc(OCC(F)(F)F)c1 ZINC000423096608 296378012 /nfs/dbraw/zinc/37/80/12/296378012.db2.gz PPGFRSNWFSCMTL-UONOGXRCSA-N 2 0 302.340 2.640 20 0 DFADRP C(C[NH+]1CCC2(CCCCC2)CC1)NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000423093923 296377606 /nfs/dbraw/zinc/37/76/06/296377606.db2.gz APFFKJXDXIWTAU-JWTNVVGKSA-N 2 0 305.510 2.905 20 0 DFADRP CSc1ccc(CC[NH2+][C@@H]2CCOC[C@@H]2[C@@H]2CCC[NH2+]2)cc1 ZINC000423092433 296377619 /nfs/dbraw/zinc/37/76/19/296377619.db2.gz BWNUHVSCFLMODF-FGTMMUONSA-N 2 0 320.502 2.698 20 0 DFADRP [NH3+][C@@H]1CCC[C@@H]1[NH2+]CCc1cccc(OCC(F)(F)F)c1 ZINC000423096607 296377770 /nfs/dbraw/zinc/37/77/70/296377770.db2.gz PPGFRSNWFSCMTL-KGLIPLIRSA-N 2 0 302.340 2.640 20 0 DFADRP CCOc1ccc(C[NH2+][C@@H]2CCOC[C@@H]2[C@@H](C)[NH3+])cc1Cl ZINC000423098713 296378328 /nfs/dbraw/zinc/37/83/28/296378328.db2.gz DJUNPXLPMVAQPA-UXIGCNINSA-N 2 0 312.841 2.581 20 0 DFADRP [NH3+]C[C@H]1CCC[C@@H]1[NH2+]CCc1cccc(OCC(F)(F)F)c1 ZINC000423102509 296378476 /nfs/dbraw/zinc/37/84/76/296378476.db2.gz WXWVIPGHGPZFCA-HIFRSBDPSA-N 2 0 316.367 2.887 20 0 DFADRP C[NH+](C)Cc1ccc(C(=O)NC[C@H]2CC[N@@H+](C(C)(C)C)C2)cc1 ZINC000616995511 399558574 /nfs/dbraw/zinc/55/85/74/399558574.db2.gz STTVUTPQGITTDD-MRXNPFEDSA-N 2 0 317.477 2.598 20 0 DFADRP C[C@H]([NH2+][C@H]1CCC[C@H]1Oc1cc(F)cc(F)c1)[C@@H]1CC[NH2+]C1 ZINC000423109418 296379150 /nfs/dbraw/zinc/37/91/50/296379150.db2.gz NRXHGCWAWFNFEM-HJSHSUPBSA-N 2 0 310.388 2.852 20 0 DFADRP C[C@@H]([NH2+][C@H]1CCC[C@H]1Oc1cc(F)cc(F)c1)[C@@H]1CC[NH2+]C1 ZINC000423109422 296379398 /nfs/dbraw/zinc/37/93/98/296379398.db2.gz NRXHGCWAWFNFEM-YQPCPPDFSA-N 2 0 310.388 2.852 20 0 DFADRP CC(C)(C)[N@@H+]1CC[C@H](CNC(=O)[C@@H]2CCC[NH+]2C2CCCC2)C1 ZINC000616997977 399560706 /nfs/dbraw/zinc/56/07/06/399560706.db2.gz DPYXZCMDXBSCLJ-WBVHZDCISA-N 2 0 321.509 2.630 20 0 DFADRP C[N@H+](CCC(=O)NC[C@@H]1CC[NH+](C(C)(C)C)C1)C1CCCCC1 ZINC000617000171 399561532 /nfs/dbraw/zinc/56/15/32/399561532.db2.gz UYLRKXPDSLJELM-INIZCTEOSA-N 2 0 323.525 2.878 20 0 DFADRP c1ccc(C2CC(C[NH2+][C@@H]3CCOC[C@@H]3[C@H]3CCC[NH2+]3)C2)cc1 ZINC000423115751 296380314 /nfs/dbraw/zinc/38/03/14/296380314.db2.gz OAPHVPDJSCVLDH-OCHJOZIMSA-N 2 0 314.473 2.927 20 0 DFADRP CC(C)[N@@H+](C)C[C@H](C)N[C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423119137 296380574 /nfs/dbraw/zinc/38/05/74/296380574.db2.gz BGXKZJYVUUHIOS-KVSKMBFKSA-N 2 0 317.477 2.561 20 0 DFADRP CSC1(C[NH2+][C@H](C)C[C@H]2CCCCC[NH2+]2)CC[NH+](C)CC1 ZINC000423119896 296380680 /nfs/dbraw/zinc/38/06/80/296380680.db2.gz FAJCCXVHBPOORR-HZPDHXFCSA-N 2 0 313.555 2.714 20 0 DFADRP CC(C)Oc1ccc([C@H](CN[C@@H](C)[C@H]2CCC[NH2+]2)[NH+](C)C)cc1 ZINC000423124914 296381715 /nfs/dbraw/zinc/38/17/15/296381715.db2.gz MYWDVLKQUQLJKJ-IPELMVKDSA-N 2 0 319.493 2.807 20 0 DFADRP OC[C@]1(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)C[C@@H]1c1ccccc1 ZINC000423129377 296381936 /nfs/dbraw/zinc/38/19/36/296381936.db2.gz WYYAUDIHTVZFLX-OUUBHVDSSA-N 2 0 314.473 2.663 20 0 DFADRP [NH3+]C[C@H]1CCC[C@H]1[NH2+]CCc1cnc(SC2CCCC2)nc1 ZINC000423133372 296382560 /nfs/dbraw/zinc/38/25/60/296382560.db2.gz KDQJAOZTPHVPNO-GDBMZVCRSA-N 2 0 320.506 2.771 20 0 DFADRP c1nc(SC2CCCC2)ncc1CC[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000423139263 296383312 /nfs/dbraw/zinc/38/33/12/296383312.db2.gz VBWZDECAXYRBSF-OAHLLOKOSA-N 2 0 320.506 2.786 20 0 DFADRP [NH3+][C@@H]1CCCCC[C@H]1[NH2+]C[C@H]1CCN(c2ccccc2F)C1 ZINC000423141489 296383808 /nfs/dbraw/zinc/38/38/08/296383808.db2.gz QJEMQBLLGVTAMM-DJIMGWMZSA-N 2 0 305.441 2.902 20 0 DFADRP C[C@H]([NH2+]C[C@@H]1CCN(c2ccccc2F)C1)[C@@H]1CCCC[NH2+]1 ZINC000423141535 296383881 /nfs/dbraw/zinc/38/38/81/296383881.db2.gz QNDWSPFOMCIQQP-ZOBUZTSGSA-N 2 0 305.441 2.772 20 0 DFADRP COc1ncccc1CC[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1 ZINC000423141806 296383891 /nfs/dbraw/zinc/38/38/91/296383891.db2.gz RWEZYPVAMYOUPQ-BRWVUGGUSA-N 2 0 303.450 2.533 20 0 DFADRP CC[C@H]([NH2+]C[C@@H]1CCN(c2ccccc2F)C1)[C@@H]1CCC[NH2+]1 ZINC000423141068 296383919 /nfs/dbraw/zinc/38/39/19/296383919.db2.gz NTISMDVIEUJSFX-XIRDDKMYSA-N 2 0 305.441 2.772 20 0 DFADRP C[C@H]([NH2+]C[C@H]1CCN(c2ccccc2F)C1)[C@H]1CCCC[NH2+]1 ZINC000423141534 296383994 /nfs/dbraw/zinc/38/39/94/296383994.db2.gz QNDWSPFOMCIQQP-ZMSDIMECSA-N 2 0 305.441 2.772 20 0 DFADRP CSc1ccc([C@H](CNC2C[C@H]3CC[C@@H](C2)[NH2+]3)[NH+](C)C)cc1 ZINC000423148588 296384950 /nfs/dbraw/zinc/38/49/50/296384950.db2.gz WBGDGHNJVBYFBV-ONYGOOLBSA-N 2 0 319.518 2.884 20 0 DFADRP CSc1ccc([C@H](C[NH2+][C@@H]2CC[NH2+]CC[C@H]2C)N(C)C)cc1 ZINC000423142922 296384386 /nfs/dbraw/zinc/38/43/86/296384386.db2.gz BQMWPMPDLUZPKV-OLMNPRSZSA-N 2 0 321.534 2.989 20 0 DFADRP O[C@H](C[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1)Cc1cccc(F)c1 ZINC000423148899 296385085 /nfs/dbraw/zinc/38/50/85/296385085.db2.gz WZMXXDFMVGMENS-CADBVGFASA-N 2 0 320.452 2.630 20 0 DFADRP O[C@@H]1CCCC[C@@H]1C[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000158248375 197257420 /nfs/dbraw/zinc/25/74/20/197257420.db2.gz SLSRJEUTISFXBN-UYAOXDASSA-N 2 0 316.489 2.834 20 0 DFADRP C[C@@H]1C[N@@H+](CC2CC[NH+](CC3CCC(=O)CC3)CC2)C[C@H](C)O1 ZINC000347744744 285156109 /nfs/dbraw/zinc/15/61/09/285156109.db2.gz HSUJEKCUTVKYFL-IYBDPMFKSA-N 2 0 322.493 2.567 20 0 DFADRP COc1ncc(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)cc1Cl ZINC000423153168 296385771 /nfs/dbraw/zinc/38/57/71/296385771.db2.gz GGTDPFVHOYXCEG-VHDGCEQUSA-N 2 0 309.841 2.754 20 0 DFADRP C[C@@H]1CC[NH2+]C[C@H]1NCC1([N@H+](C)Cc2ccccc2)CCC1 ZINC000423159219 296386440 /nfs/dbraw/zinc/38/64/40/296386440.db2.gz XPHNFAPQXWUYEB-SJLPKXTDSA-N 2 0 301.478 2.629 20 0 DFADRP CCOC(=O)C1([C@@H](C)[NH2+][C@@H](C)c2cccc(C)c2)CC[NH2+]CC1 ZINC000423158452 296386603 /nfs/dbraw/zinc/38/66/03/296386603.db2.gz CQTPLFKPVRFMBC-JKSUJKDBSA-N 2 0 318.461 2.967 20 0 DFADRP COC[C@H](CCC[NH3+])[NH2+][C@@H](c1ccco1)c1ccc(OC)cc1 ZINC000423168611 296387750 /nfs/dbraw/zinc/38/77/50/296387750.db2.gz UULCHFQCWQRTBQ-MAUKXSAKSA-N 2 0 318.417 2.721 20 0 DFADRP OCC[C@@H]([NH2+][C@@H]1CCC[NH2+]CC1)c1cccc(C(F)(F)F)c1 ZINC000423166456 296387396 /nfs/dbraw/zinc/38/73/96/296387396.db2.gz ZGVSPPJLLVBOHU-HUUCEWRRSA-N 2 0 316.367 2.861 20 0 DFADRP c1ccc2c(c1)-c1ccccc1C2[NH2+]CCCN1CC[NH2+]CC1 ZINC000423183042 296389252 /nfs/dbraw/zinc/38/92/52/296389252.db2.gz KWUHMQFRQWYTBI-UHFFFAOYSA-N 2 0 307.441 2.641 20 0 DFADRP C[C@H](c1ccc(Cl)cc1)[C@H](C)[NH2+]CCCN1CC[NH2+]CC1 ZINC000423181917 296389290 /nfs/dbraw/zinc/38/92/90/296389290.db2.gz JXNMGMLBGCWDNX-GJZGRUSLSA-N 2 0 309.885 2.717 20 0 DFADRP CC(C)[C@@H]1C[C@H]([NH2+]CCCN2CC[NH2+]CC2)c2ccccc21 ZINC000423186439 296389799 /nfs/dbraw/zinc/38/97/99/296389799.db2.gz ODWJIHSLSLLQNE-OALUTQOASA-N 2 0 301.478 2.756 20 0 DFADRP CC[NH+](CC)Cc1ccc(C(=O)NC[C@H]2CC[N@@H+]2C(C)(C)C)o1 ZINC000617014404 399575603 /nfs/dbraw/zinc/57/56/03/399575603.db2.gz ITMCKVYQNXLMHN-CQSZACIVSA-N 2 0 321.465 2.724 20 0 DFADRP CC[C@H](C[NH2+][C@@H]1CCOC[C@@H]1[C@H]1CCC[NH2+]1)CC(F)(F)F ZINC000423187480 296390257 /nfs/dbraw/zinc/39/02/57/296390257.db2.gz PQZSXZJPHKICDK-REWJHTLYSA-N 2 0 308.388 2.712 20 0 DFADRP C[C@H](O)C[C@H](C)C[NH2+][C@@H](C)c1ccc(OCC[NH+](C)C)cc1 ZINC000157591135 197199867 /nfs/dbraw/zinc/19/98/67/197199867.db2.gz QEABYMIPAOKDKQ-JYJNAYRXSA-N 2 0 308.466 2.685 20 0 DFADRP c1ccc(C[N@@H+]2C[C@@H]3CCC[C@H](N[C@@H]4CCC[NH2+]C4)[C@H]3C2)cc1 ZINC000423195147 296390749 /nfs/dbraw/zinc/39/07/49/296390749.db2.gz SHPWNHIPHGWURQ-YRPNKDGESA-N 3 0 313.489 2.629 20 0 DFADRP C[C@H](Cc1cn(C)c2ccc(F)cc12)[NH2+][C@H](C)[C@@H]1CC[NH2+]C1 ZINC000423196313 296391268 /nfs/dbraw/zinc/39/12/68/296391268.db2.gz ZIINASUCNQLJKF-MGPQQGTHSA-N 2 0 303.425 2.836 20 0 DFADRP CCN(CC)C(=O)Nc1ccc([C@H](C)[NH2+]CCC[NH2+]C)cc1 ZINC000423197925 296391466 /nfs/dbraw/zinc/39/14/66/296391466.db2.gz BZSXBHGUXRBMPV-AWEZNQCLSA-N 2 0 306.454 2.820 20 0 DFADRP C[C@@H]([NH2+]CCN1CC[NH2+]CC1)c1cc2cc(Cl)ccc2o1 ZINC000423199209 296391582 /nfs/dbraw/zinc/39/15/82/296391582.db2.gz AUKJDYADMNTZKI-GFCCVEGCSA-N 2 0 307.825 2.642 20 0 DFADRP COc1cc([C@H](C)[NH2+]C[C@H]2CCC[NH2+]C2)ccc1OC(F)F ZINC000423203501 296392170 /nfs/dbraw/zinc/39/21/70/296392170.db2.gz CKNGGUXLAAQGDM-RYUDHWBXSA-N 2 0 314.376 2.947 20 0 DFADRP C[C@H]1[C@@H](NC2C[C@H]3CC[C@@H](C2)[NH2+]3)CCC[N@@H+]1Cc1ccccc1 ZINC000423209510 296392802 /nfs/dbraw/zinc/39/28/02/296392802.db2.gz GHYGYJQJNQIVPN-UWPGDLITSA-N 2 0 313.489 2.912 20 0 DFADRP C[NH2+]CCCN[C@@H]1CCCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000423201499 296391887 /nfs/dbraw/zinc/39/18/87/296391887.db2.gz PBCNMJVCAPDWQT-VAMGGRTRSA-N 2 0 315.505 2.876 20 0 DFADRP CCO[C@@H]1C[C@H]([NH2+][C@H](C)[C@@H]2CCC[NH2+]C2)[C@H]1Oc1ccccc1 ZINC000423218932 296393710 /nfs/dbraw/zinc/39/37/10/296393710.db2.gz SNENLOJIWGYHFZ-QWXYKEQDSA-N 2 0 318.461 2.589 20 0 DFADRP CC1(c2ccccc2)CCC([NH2+]CC2([NH3+])CCOCC2)CC1 ZINC000629387125 399590227 /nfs/dbraw/zinc/59/02/27/399590227.db2.gz CLRWLJBTMUCXPM-UHFFFAOYSA-N 2 0 302.462 2.984 20 0 DFADRP C[C@@H](Cc1ccccc1)[NH+]1CCC([NH2+]CC[C@@H]2CC[NH2+]C2)CC1 ZINC000423250885 296396863 /nfs/dbraw/zinc/39/68/63/296396863.db2.gz REFSAPKCSOKRCY-HKUYNNGSSA-N 3 0 315.505 2.671 20 0 DFADRP Fc1ccc(N2CCC([NH2+]CC[C@@H]3CC[NH2+]C3)CC2)c(F)c1 ZINC000423252763 296396998 /nfs/dbraw/zinc/39/69/98/296396998.db2.gz UOVWTNZOCZWYJZ-ZDUSSCGKSA-N 2 0 309.404 2.523 20 0 DFADRP CC1(C)[C@H]([NH2+]CC[C@H]2CC[NH2+]C2)C[C@@H]1OCc1ccccc1 ZINC000423254626 296397136 /nfs/dbraw/zinc/39/71/36/296397136.db2.gz YUXUMWVAMQEFNB-NXHRZFHOSA-N 2 0 302.462 2.960 20 0 DFADRP COCCOc1ccc([C@H](C)[NH2+][C@H]2CCCC[C@H]2C[NH3+])cc1 ZINC000423263556 296398322 /nfs/dbraw/zinc/39/83/22/296398322.db2.gz BAHCYHQDEVTVCZ-ZVZYQTTQSA-N 2 0 306.450 2.880 20 0 DFADRP CC[C@@H]([NH2+]CC[C@@H]1CCC[NH2+]C1)c1ccc2c(c1)OCCO2 ZINC000423255640 296397368 /nfs/dbraw/zinc/39/73/68/296397368.db2.gz COUKGRKIOGIZFW-GOEBONIOSA-N 2 0 304.434 2.888 20 0 DFADRP C[NH2+]C[C@@H](C)C[NH2+][C@@H]1CCc2sc(Br)cc21 ZINC000423256592 296397414 /nfs/dbraw/zinc/39/74/14/296397414.db2.gz CCQDKOFEEFZUFS-PSASIEDQSA-N 2 0 303.269 2.943 20 0 DFADRP COCCc1nc(C)c([C@H](C)[NH2+]CC[C@H]2CCC[NH2+]C2)s1 ZINC000423259594 296397614 /nfs/dbraw/zinc/39/76/14/296397614.db2.gz OLOUGLDOMMVDOA-GXTWGEPZSA-N 2 0 311.495 2.681 20 0 DFADRP C[C@@H](CO)CCC[NH2+][C@H](C)c1cccc(OCC[NH+](C)C)c1 ZINC000271461117 208932906 /nfs/dbraw/zinc/93/29/06/208932906.db2.gz HLXPDLGVEWKGTC-HZPDHXFCSA-N 2 0 308.466 2.686 20 0 DFADRP CC(C)(C)[C@@H]1CCC[C@H]([NH2+]Cc2cn([C@H]3CC[NH2+]C3)nn2)CC1 ZINC000629405751 399595577 /nfs/dbraw/zinc/59/55/77/399595577.db2.gz MJFZFROSVPOWET-VYDXJSESSA-N 2 0 319.497 2.897 20 0 DFADRP C[C@H](CCC1CCCCC1)[NH2+]Cc1cn([C@@H]2CC[NH2+]C2)nn1 ZINC000629406486 399595601 /nfs/dbraw/zinc/59/56/01/399595601.db2.gz WQTMOKNGDOXCGL-RHSMWYFYSA-N 2 0 305.470 2.651 20 0 DFADRP [NH3+]CCCOCC[NH2+]Cc1cc(Br)ccc1Cl ZINC000629398537 399593770 /nfs/dbraw/zinc/59/37/70/399593770.db2.gz DZXPSZJRJAXONB-UHFFFAOYSA-N 2 0 321.646 2.558 20 0 DFADRP Cc1c([C@@H](C)[NH2+]CC[C@H]2CCC[NH2+]C2)nnn1-c1ccccc1 ZINC000423264766 296398707 /nfs/dbraw/zinc/39/87/07/296398707.db2.gz YYVGLWYKDNPTGV-GDBMZVCRSA-N 2 0 313.449 2.616 20 0 DFADRP C[C@H]([NH2+][C@@H]1CCC[C@H]1C[NH3+])c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000423269078 296398872 /nfs/dbraw/zinc/39/88/72/296398872.db2.gz GZYHSZCBHPFQAR-CORIIIEPSA-N 2 0 301.434 2.694 20 0 DFADRP C[C@H]([NH2+][C@@H]1CCCC[C@H]1C[NH3+])c1ccc(C(=O)N(C)C)cc1 ZINC000423278062 296400269 /nfs/dbraw/zinc/40/02/69/296400269.db2.gz PCSIQRHEVFGDIJ-RRQGHBQHSA-N 2 0 303.450 2.557 20 0 DFADRP Clc1cccc([C@H](Cc2cccnc2)[NH2+]CC2C[NH2+]C2)c1 ZINC000423316525 296403313 /nfs/dbraw/zinc/40/33/13/296403313.db2.gz JTIHGGMTQSGYOH-KRWDZBQOSA-N 2 0 301.821 2.828 20 0 DFADRP CC(C)[C@@H](C(=O)NCc1ccccc1C[NH+]1CCCC1)[C@H](C)[NH3+] ZINC000423314150 296403435 /nfs/dbraw/zinc/40/34/35/296403435.db2.gz VIZCZZOZLRHZTB-MAUKXSAKSA-N 2 0 317.477 2.518 20 0 DFADRP CCc1ccc(C[N@H+]2CC[C@H](OCC[NH+](CC)CC)C2)cn1 ZINC000347858696 285212200 /nfs/dbraw/zinc/21/22/00/285212200.db2.gz GXWMNNJEKVAVFS-SFHVURJKSA-N 2 0 305.466 2.577 20 0 DFADRP CC(C)[C@@H]([NH2+]CC[C@H]1CCC[NH2+]1)c1ccc2[nH]c(=O)oc2c1 ZINC000423355171 296407612 /nfs/dbraw/zinc/40/76/12/296407612.db2.gz DWWMXIBHASCCGF-CZUORRHYSA-N 2 0 303.406 2.962 20 0 DFADRP Brc1ccc2c(c1)CC[C@H]([NH2+]CC1=CC[NH2+]CC1)C2 ZINC000423345430 296406792 /nfs/dbraw/zinc/40/67/92/296406792.db2.gz OBQIIVCVPSCMCJ-INIZCTEOSA-N 2 0 321.262 2.816 20 0 DFADRP C[C@@H](CNC(=O)[C@H]([NH3+])CC1CCCCC1)[NH+]1CCC(C)CC1 ZINC000423357151 296408112 /nfs/dbraw/zinc/40/81/12/296408112.db2.gz LQCHAIKUPQEXBO-DOTOQJQBSA-N 2 0 309.498 2.521 20 0 DFADRP COc1ccc([C@H](Cc2ccncc2)[NH2+]CC2=CC[NH2+]CC2)cc1 ZINC000423357024 296408184 /nfs/dbraw/zinc/40/81/84/296408184.db2.gz RRJAFWSTYZHFPJ-FQEVSTJZSA-N 2 0 323.440 2.883 20 0 DFADRP Fc1ccc([C@@H](C[C@H]2CCOC2)[NH2+]CC2=CC[NH2+]CC2)cc1 ZINC000423363389 296408580 /nfs/dbraw/zinc/40/85/80/296408580.db2.gz YQAMFVZTQSBJAY-CRAIPNDOSA-N 2 0 304.409 2.803 20 0 DFADRP C[C@H](Cc1ccccc1)[NH+]1CCC(N[C@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000423371991 296409724 /nfs/dbraw/zinc/40/97/24/296409724.db2.gz QSKCRWPSQRZINR-KPFFTGBYSA-N 2 0 315.505 2.942 20 0 DFADRP COc1ccc2c(c1)C[C@@H]([NH2+]Cc1ccc3c(c1)C[NH2+]C3)CC2 ZINC000423372074 296409783 /nfs/dbraw/zinc/40/97/83/296409783.db2.gz GQIOAOHSNQVILU-IBGZPJMESA-N 2 0 308.425 2.946 20 0 DFADRP C[C@@H]([NH2+]C[C@H](N1CC[NH2+]CC1)C(F)(F)F)[C@H]1CCCC[C@H]1C ZINC000423381460 296410627 /nfs/dbraw/zinc/41/06/27/296410627.db2.gz FPRBHYLULOTSTE-KBXIAJHMSA-N 2 0 321.431 2.627 20 0 DFADRP CC[C@@H]([NH2+]CC1(COC)CC[NH2+]CC1)c1ccccc1OC ZINC000423398619 296412289 /nfs/dbraw/zinc/41/22/89/296412289.db2.gz DEEUKDSUMCQHKW-MRXNPFEDSA-N 2 0 306.450 2.752 20 0 DFADRP C[NH+]1CCC2(CCN(c3nc4ccccc4n4cncc34)C2)CC1 ZINC000624231764 399607176 /nfs/dbraw/zinc/60/71/76/399607176.db2.gz KAYABIZQHNEMQL-UHFFFAOYSA-N 2 0 321.428 2.805 20 0 DFADRP CCCN(CCC[NH+](C)C)C(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC000347909919 285238778 /nfs/dbraw/zinc/23/87/78/285238778.db2.gz QVABUMAXJGNQPD-KRWDZBQOSA-N 2 0 309.498 2.584 20 0 DFADRP COCC1(C[NH2+][C@H](c2cccnc2)C2CCC2)CC[NH2+]CC1 ZINC000423411397 296414016 /nfs/dbraw/zinc/41/40/16/296414016.db2.gz UJFKMWAYMPYKKW-KRWDZBQOSA-N 2 0 303.450 2.529 20 0 DFADRP COc1cc(NC(C)=O)ccc1[C@H](C)[NH2+][C@H](C)CCCC[NH3+] ZINC000423427213 296415745 /nfs/dbraw/zinc/41/57/45/296415745.db2.gz IIXFEDSVHJGCJX-OLZOCXBDSA-N 2 0 307.438 2.822 20 0 DFADRP C[C@H](CCCC[NH3+])[NH2+][C@@H](C)c1cccc(N2CCOCC2)c1 ZINC000423447642 296417220 /nfs/dbraw/zinc/41/72/20/296417220.db2.gz ZVDLZCPEPKFWRY-CVEARBPZSA-N 2 0 305.466 2.691 20 0 DFADRP C[C@@H](CCCC[NH3+])[NH2+]C1CCC2(CC1)c1ccccc1NC2=O ZINC000423446768 296417221 /nfs/dbraw/zinc/41/72/21/296417221.db2.gz ZBRKPDSTZGHTME-XVTSOASTSA-N 2 0 315.461 2.926 20 0 DFADRP COc1ccc2c(c1)[C@@H]([NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1)CCCO2 ZINC000423442961 296416907 /nfs/dbraw/zinc/41/69/07/296416907.db2.gz PXHFLQMQPGFYBL-RYQLBKOJSA-N 2 0 316.445 2.887 20 0 DFADRP c1ccc2c(c1)CCSC[C@H]2[NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000423443017 296416983 /nfs/dbraw/zinc/41/69/83/296416983.db2.gz QBUNXPCIECWOMZ-RCCFBDPRSA-N 2 0 302.487 2.995 20 0 DFADRP Cc1nccn1CCC[NH2+][C@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000347931218 285253021 /nfs/dbraw/zinc/25/30/21/285253021.db2.gz KUTANTXPSWQTRB-WBVHZDCISA-N 2 0 304.482 2.824 20 0 DFADRP Cc1nccn1CCC[NH2+][C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000347931205 285253088 /nfs/dbraw/zinc/25/30/88/285253088.db2.gz KUTANTXPSWQTRB-DOTOQJQBSA-N 2 0 304.482 2.824 20 0 DFADRP COC(=O)CCC[C@@H]1CCC[C@H]([NH2+]C[C@@H]2CCC[C@@H]([NH3+])C2)C1 ZINC000423463339 296418515 /nfs/dbraw/zinc/41/85/15/296418515.db2.gz FPXZWONIIPGVLN-HZMVEIRTSA-N 2 0 310.482 2.996 20 0 DFADRP Cn1ccnc1[C@H]([NH2+]C[C@@H]1CCC[C@H]([NH3+])C1)c1cccc(F)c1 ZINC000423470557 296419018 /nfs/dbraw/zinc/41/90/18/296419018.db2.gz LHJSCLXBHVGAHS-XOKHGSTOSA-N 2 0 316.424 2.756 20 0 DFADRP C[C@@H]([NH2+]CCC[C@@H]1CCC[NH2+]1)c1ccc(C(=O)N(C)C)cc1 ZINC000423472414 296419250 /nfs/dbraw/zinc/41/92/50/296419250.db2.gz FWHSMTNUZWRKCS-RHSMWYFYSA-N 2 0 303.450 2.571 20 0 DFADRP Cc1cc(C)n(CC[NH2+][C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)n1 ZINC000347935599 285255591 /nfs/dbraw/zinc/25/55/91/285255591.db2.gz PZCVSDICIFBNAV-IAGOWNOFSA-N 2 0 304.482 2.743 20 0 DFADRP Cc1cc(C)n(CC[NH2+][C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)n1 ZINC000347935598 285255625 /nfs/dbraw/zinc/25/56/25/285255625.db2.gz PZCVSDICIFBNAV-DLBZAZTESA-N 2 0 304.482 2.743 20 0 DFADRP COc1cc2c(cc1OC)[C@@H]([NH2+]CCC[C@@H]1CCC[NH2+]1)CC2 ZINC000423481357 296420669 /nfs/dbraw/zinc/42/06/69/296420669.db2.gz OFNVROBZDRWXFD-HOCLYGCPSA-N 2 0 304.434 2.813 20 0 DFADRP Cn1cc([C@H]([NH2+]CCC[C@H]2CCC[NH2+]2)c2cccc(F)c2)cn1 ZINC000423488369 296421330 /nfs/dbraw/zinc/42/13/30/296421330.db2.gz VKTXSQDJDLFUQU-QZTJIDSGSA-N 2 0 316.424 2.770 20 0 DFADRP C[C@@H]([NH2+]CC1([NH3+])C2CC3CC(C2)CC1C3)c1cccc(CO)c1 ZINC000423524665 296425946 /nfs/dbraw/zinc/42/59/46/296425946.db2.gz JSCCKEWSOVKWEY-CSISCLMTSA-N 2 0 314.473 2.983 20 0 DFADRP COCC[C@H]1CCC[C@H]1[NH2+]CC1([NH3+])C2CC3CC(C2)CC1C3 ZINC000423525310 296426252 /nfs/dbraw/zinc/42/62/52/296426252.db2.gz KIWNRZSDYWPGMZ-OEOKKZFJSA-N 2 0 306.494 2.935 20 0 DFADRP OC[C@@H]1CCC[N@@H+]1CCCC[NH2+][C@@H]1CCc2c1c(F)ccc2F ZINC000269901176 285273687 /nfs/dbraw/zinc/27/36/87/285273687.db2.gz GRUYXIQDQXPAJM-SUMWQHHRSA-N 2 0 324.415 2.779 20 0 DFADRP C[C@H]([NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1)c1ccc(-n2ccnc2)cc1 ZINC000423536438 296427545 /nfs/dbraw/zinc/42/75/45/296427545.db2.gz ADODFYZIWZWWDQ-DZJNRPSUSA-N 2 0 310.445 2.911 20 0 DFADRP C[C@@H]([NH2+]CCC1=CC[NH2+]CC1)c1cccc(N2CCCC2=O)c1 ZINC000423557676 296429266 /nfs/dbraw/zinc/42/92/66/296429266.db2.gz NMENMTGISKRCBH-OAHLLOKOSA-N 2 0 313.445 2.774 20 0 DFADRP OC[C@H]1CCC[N@@H+]1CCCC[NH2+][C@H]1CCc2c1c(F)ccc2F ZINC000269901167 285290985 /nfs/dbraw/zinc/29/09/85/285290985.db2.gz GRUYXIQDQXPAJM-DYVFJYSZSA-N 2 0 324.415 2.779 20 0 DFADRP CC(C)C[C@@H](C)C[NH2+]Cc1cccc(C(=O)NCC[NH+](C)C)c1 ZINC000348003116 285292219 /nfs/dbraw/zinc/29/22/19/285292219.db2.gz MCFZZTUZMGXNKP-MRXNPFEDSA-N 2 0 319.493 2.750 20 0 DFADRP O[C@@H](CC[NH+]1CCC(C[NH+]2CCCC2)CC1)c1ccccc1 ZINC000377522043 285300362 /nfs/dbraw/zinc/30/03/62/285300362.db2.gz BBELVLFYVACEMW-IBGZPJMESA-N 2 0 302.462 2.918 20 0 DFADRP CC(C)[C@H](C(=O)Nc1cc(C[NH3+])cc(C(F)(F)F)c1)[C@@H](C)[NH3+] ZINC000423624028 296434726 /nfs/dbraw/zinc/43/47/26/296434726.db2.gz PESXJAVSJBXRJU-RNCFNFMXSA-N 2 0 317.355 2.722 20 0 DFADRP COCCOCc1ccc(C[N@@H+]2CCC[C@@H]([NH+](C)C)CC2)cc1 ZINC000289578248 221081231 /nfs/dbraw/zinc/08/12/31/221081231.db2.gz HUBJDOCBVOPGFW-LJQANCHMSA-N 2 0 320.477 2.766 20 0 DFADRP c1n[nH]cc1CC[NH2+][C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000289650010 221129995 /nfs/dbraw/zinc/12/99/95/221129995.db2.gz GEDHBVFKXTWFHJ-XUVXKRRUSA-N 2 0 324.472 2.843 20 0 DFADRP Clc1ccc2c(c1)C[C@@H]1[C@H]([NH2+][C@@H]3CC[C@@H]4C[NH2+]C[C@@H]4C3)[C@H]21 ZINC000629512662 399629536 /nfs/dbraw/zinc/62/95/36/399629536.db2.gz BNSYPZHFHFFMGD-MXPIWFKKSA-N 2 0 302.849 2.956 20 0 DFADRP C[C@H](C[C@H](C)[NH3+])[NH2+][C@@H]1Cc2ccccc2O[C@H]1C(F)(F)F ZINC000629513116 399630626 /nfs/dbraw/zinc/63/06/26/399630626.db2.gz IEWJVAHUOLPQCG-UZWIWUQPSA-N 2 0 302.340 2.636 20 0 DFADRP CCN(C(=O)[C@H](C)[NH+](C)C)[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000078692951 542483406 /nfs/dbraw/zinc/48/34/06/542483406.db2.gz JZYINQZVQYJOLG-BQFCYCMXSA-N 2 0 317.477 2.621 20 0 DFADRP Cc1cccc2c1C[C@H]([NH2+][C@H](C)c1ccc(C[NH3+])nc1C)CO2 ZINC000629515641 399631529 /nfs/dbraw/zinc/63/15/29/399631529.db2.gz VIPMNUWRBITJGQ-ZBFHGGJFSA-N 2 0 311.429 2.811 20 0 DFADRP Cc1ccc2[nH]c3c(c2c1)CCC[C@@H]3[NH2+]CC1([NH3+])CCOCC1 ZINC000629519851 399633776 /nfs/dbraw/zinc/63/37/76/399633776.db2.gz HXZDASUDLBMXPB-KRWDZBQOSA-N 2 0 313.445 2.951 20 0 DFADRP C[C@H]([NH2+]CC1([NH3+])CCOCC1)c1cccc(-c2ccncc2)c1 ZINC000629521865 399635670 /nfs/dbraw/zinc/63/56/70/399635670.db2.gz SOSMQZKQRWVOPC-HNNXBMFYSA-N 2 0 311.429 2.907 20 0 DFADRP CC[NH+](CC)[C@H](CNC(=O)[C@@H]1CCC[NH2+][C@@H]1C)c1ccsc1 ZINC000289902474 221305543 /nfs/dbraw/zinc/30/55/43/221305543.db2.gz MZJUZIVBWAAVRA-FVQBIDKESA-N 2 0 323.506 2.635 20 0 DFADRP CC[C@@H]1[NH2+]CC[C@H]1N[C@H]1CCC[N@H+](Cc2ccccc2)[C@@H]1C ZINC000629528319 399636881 /nfs/dbraw/zinc/63/68/81/399636881.db2.gz WFWYWSZDAJYFRV-XGXHKWSGSA-N 2 0 301.478 2.770 20 0 DFADRP C[NH2+]CCOCC[NH2+][C@H]1CCCOc2c(C(C)C)cccc21 ZINC000629530187 399637683 /nfs/dbraw/zinc/63/76/83/399637683.db2.gz YDRYUJGEASKOLG-KRWDZBQOSA-N 2 0 306.450 2.849 20 0 DFADRP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)Nc1cccc(C[NH+]2CCCCC2)c1 ZINC000289967552 221348391 /nfs/dbraw/zinc/34/83/91/221348391.db2.gz NERKVTNYCXUGTB-ROUUACIJSA-N 2 0 315.461 2.999 20 0 DFADRP CCOc1cccc2cc([C@@H](C)[NH2+]CCOCC[NH2+]C)oc21 ZINC000629529977 399637922 /nfs/dbraw/zinc/63/79/22/399637922.db2.gz RXARAKOAYMZQKH-CYBMUJFWSA-N 2 0 306.406 2.718 20 0 DFADRP C[NH2+]CCOCC[NH2+][C@H](c1ccccc1)c1ccc(OC)cc1 ZINC000629529969 399637985 /nfs/dbraw/zinc/63/79/85/399637985.db2.gz RRUIAXGZZRNRSK-LJQANCHMSA-N 2 0 314.429 2.610 20 0 DFADRP C[C@H]([NH2+]CCOCCC[NH3+])c1cc(Br)ccc1F ZINC000629538756 399640139 /nfs/dbraw/zinc/64/01/39/399640139.db2.gz MUWQICMOWSUYDT-JTQLQIEISA-N 2 0 319.218 2.604 20 0 DFADRP CC(C)c1ccc(C[C@@H](C)[NH2+]C[C@@H](O)C[NH+]2CCCC2)cc1 ZINC000629574922 399653565 /nfs/dbraw/zinc/65/35/65/399653565.db2.gz LSMWKZKTMNEEDR-VQIMIIECSA-N 2 0 304.478 2.787 20 0 DFADRP C[N@H+](CCCOc1ccc2ccccc2c1)CCOCC[NH3+] ZINC000629577474 399653659 /nfs/dbraw/zinc/65/36/59/399653659.db2.gz AFYDRLHNHZGSJD-UHFFFAOYSA-N 2 0 302.418 2.516 20 0 DFADRP CN(Cc1ccccc1)C[C@H](O)C[NH2+]C[C@@H]1CC[C@H]2C[C@H]2C1 ZINC000629585929 399656073 /nfs/dbraw/zinc/65/60/73/399656073.db2.gz HQAXRHMGSXVZQK-FCGDIQPGSA-N 2 0 302.462 2.505 20 0 DFADRP CSc1ccccc1C[NH+]1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000629591936 399657976 /nfs/dbraw/zinc/65/79/76/399657976.db2.gz VDTYLQJYSJAXCU-KRWDZBQOSA-N 2 0 320.502 2.999 20 0 DFADRP C[C@]12C[NH2+]C[C@@]1(C)C[N@H+](CCC(=O)Nc1ccc(Cl)cc1)C2 ZINC000629593722 399659013 /nfs/dbraw/zinc/65/90/13/399659013.db2.gz JKFOQKMIUMXRBD-CALCHBBNSA-N 2 0 321.852 2.600 20 0 DFADRP C[C@@H](C[C@H]1CCCCC[NH2+]1)[NH2+]CC(C)(C)C(=O)N1CCCC1 ZINC000629549598 399644272 /nfs/dbraw/zinc/64/42/72/399644272.db2.gz SKYKEGZJGUVVLV-JKSUJKDBSA-N 2 0 309.498 2.535 20 0 DFADRP O[C@H]1CCN(CC[NH2+][C@@H]2CC[C@H](c3ccc(Cl)cc3)C2)C1 ZINC000624339022 399644691 /nfs/dbraw/zinc/64/46/91/399644691.db2.gz KBBLNCBVWJJRQW-UAGQMJEPSA-N 2 0 308.853 2.632 20 0 DFADRP Fc1ccc([C@@H]2CCC[N@H+](C[C@H]3CCC4(C[NH2+]C4)O3)C2)cc1F ZINC000629552070 399645229 /nfs/dbraw/zinc/64/52/29/399645229.db2.gz ZPRVYHZYLASUSB-HUUCEWRRSA-N 2 0 322.399 2.665 20 0 DFADRP C[C@@H]([C@H](C)[NH2+]Cc1cn([C@@H]2CC[NH2+]C2)nn1)C1CCCCC1 ZINC000629554037 399647080 /nfs/dbraw/zinc/64/70/80/399647080.db2.gz YSIVNTICZZDXGL-GRDNDAEWSA-N 2 0 305.470 2.507 20 0 DFADRP CCC[C@H]([NH2+]Cc1cn([C@@H]2CC[NH2+]C2)nn1)C1CCCCC1 ZINC000629553674 399647113 /nfs/dbraw/zinc/64/71/13/399647113.db2.gz WUZCYTCFYABFBO-SJORKVTESA-N 2 0 305.470 2.651 20 0 DFADRP CC(C)(C)[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC000617347385 399673051 /nfs/dbraw/zinc/67/30/51/399673051.db2.gz LMCLSNPEPIMQJG-HZPDHXFCSA-N 2 0 321.509 2.630 20 0 DFADRP Cc1ccc(CN2CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)c(C)n1 ZINC000629564565 399651089 /nfs/dbraw/zinc/65/10/89/399651089.db2.gz SSDBOGFQZWGGCU-KBPBESRZSA-N 2 0 301.356 2.658 20 0 DFADRP C[N@H+](CCOCC[NH3+])Cc1ccc(Cl)c(Br)c1 ZINC000629666582 399683148 /nfs/dbraw/zinc/68/31/48/399683148.db2.gz TWQNXBLAOBOISS-UHFFFAOYSA-N 2 0 321.646 2.510 20 0 DFADRP [NH3+]CCCOCC[NH2+]CCCc1c(Cl)cccc1Cl ZINC000629677680 399687153 /nfs/dbraw/zinc/68/71/53/399687153.db2.gz DEJZSTWVBGDISX-UHFFFAOYSA-N 2 0 305.249 2.881 20 0 DFADRP C[C@@H]([NH3+])c1ccc(C(=O)N2CC[NH+](C3CCCCC3)CC2)cc1 ZINC000423705956 296440782 /nfs/dbraw/zinc/44/07/82/296440782.db2.gz AGPAAQQVTOZXJJ-OAHLLOKOSA-N 2 0 315.461 2.797 20 0 DFADRP C[NH2+]CCOCC[N@H+](C)Cc1cnc(-c2cccs2)s1 ZINC000629654320 399676251 /nfs/dbraw/zinc/67/62/51/399676251.db2.gz PKEQAALICVTMLX-UHFFFAOYSA-N 2 0 311.476 2.539 20 0 DFADRP CC(C)C[C@H](C[NH2+]Cc1nc(C[NH3+])cc(=O)[nH]1)c1ccccc1 ZINC000629653054 399676484 /nfs/dbraw/zinc/67/64/84/399676484.db2.gz LPKWUGIIJPOBHX-OAHLLOKOSA-N 2 0 314.433 2.560 20 0 DFADRP C[C@@H]1CC(F)(F)CCN1C[C@H](O)C[N@H+](C)Cc1ccccc1 ZINC000625979724 399708245 /nfs/dbraw/zinc/70/82/45/399708245.db2.gz SQMPBXNRFTWNSR-GDBMZVCRSA-N 2 0 312.404 2.599 20 0 DFADRP C[NH2+][C@H](CO)c1cccc(-c2cc(C[NH+](C)C)ccc2F)c1 ZINC000629737799 399708625 /nfs/dbraw/zinc/70/86/25/399708625.db2.gz ZQVNKSLHJLSFNF-GOSISDBHSA-N 2 0 302.393 2.807 20 0 DFADRP Cc1ccc(C[C@H](C[NH3+])CO)cc1-c1ccc([C@@H](C)[NH3+])c(F)c1 ZINC000629737848 399709043 /nfs/dbraw/zinc/70/90/43/399709043.db2.gz NFQPGLCTBKCAKM-UKRRQHHQSA-N 2 0 316.420 2.931 20 0 DFADRP C[C@H]([NH3+])c1ccc(-c2cccc(C[C@@H](C[NH3+])CO)c2)cc1F ZINC000629738710 399709669 /nfs/dbraw/zinc/70/96/69/399709669.db2.gz XVYMNQBXBNMRNS-JSGCOSHPSA-N 2 0 302.393 2.622 20 0 DFADRP C[NH+](C)Cc1cc(-c2ccc(C[C@H](C[NH3+])CO)cc2)ccc1F ZINC000629739251 399710160 /nfs/dbraw/zinc/71/01/60/399710160.db2.gz ZBOBYSBHSITYSZ-OAHLLOKOSA-N 2 0 316.420 2.664 20 0 DFADRP C[C@H]([NH2+]CC1CCN(c2cc[nH+]cc2)CC1)C1CC[NH+](C)CC1 ZINC000089214833 542528728 /nfs/dbraw/zinc/52/87/28/542528728.db2.gz ZAKASQXIEQFZNM-INIZCTEOSA-N 3 0 316.493 2.618 20 0 DFADRP C[C@H]([NH2+][C@H]1C[C@@H](C)N(c2ccccc2)C1=O)C1CC[NH+](C)CC1 ZINC000090115643 542534280 /nfs/dbraw/zinc/53/42/80/542534280.db2.gz NXNNTTXMVRLIMR-VKJFTORMSA-N 2 0 315.461 2.500 20 0 DFADRP COc1ccc(OC)c(CCC[NH2+][C@@H](C)C2CC[NH+](C)CC2)c1 ZINC000090888422 542538934 /nfs/dbraw/zinc/53/89/34/542538934.db2.gz CCEUBHHOLGHHDB-HNNXBMFYSA-N 2 0 320.477 2.956 20 0 DFADRP COC[C@@H]([NH2+][C@@H](C)C1CC[NH+](C)CC1)c1ccc(F)c(F)c1 ZINC000091413749 542540742 /nfs/dbraw/zinc/54/07/42/542540742.db2.gz UDDREUAGWCCQHG-YVEFUNNKSA-N 2 0 312.404 2.972 20 0 DFADRP C[NH+](C)CCOc1ccc(C[N@@H+]2CCO[C@H]3CCCC[C@@H]32)cc1 ZINC000091978717 542544087 /nfs/dbraw/zinc/54/40/87/542544087.db2.gz ZXFHMWXUQVLZJH-OALUTQOASA-N 2 0 318.461 2.770 20 0 DFADRP C[NH+](C)CCN(CC1CCCCC1)C(=O)C[C@H]1CCC[NH2+]CC1 ZINC000423762449 296444525 /nfs/dbraw/zinc/44/45/25/296444525.db2.gz QHZMYRRVCQEIEB-KRWDZBQOSA-N 2 0 323.525 2.737 20 0 DFADRP Cc1cc(C)n(CC2CC[NH+](CC[C@@H]3CCC[N@H+]3C)CC2)n1 ZINC000120948526 195270169 /nfs/dbraw/zinc/27/01/69/195270169.db2.gz MZHMHOLQZIZTKT-SFHVURJKSA-N 2 0 304.482 2.696 20 0 DFADRP C[C@H](C[NH2+][C@H]1c2cc(F)ccc2C[C@@H]1C)CN1CC[NH+](C)CC1 ZINC000121098325 195293319 /nfs/dbraw/zinc/29/33/19/195293319.db2.gz DJGXKDSUNHBSDI-ZRGWGRIASA-N 2 0 319.468 2.532 20 0 DFADRP Cc1ccc(C[N@@H+](C)CC2CC[NH+](C[C@H](C)O)CC2)cc1C ZINC000121136357 195298097 /nfs/dbraw/zinc/29/80/97/195298097.db2.gz HOMFADLYCJBASZ-KRWDZBQOSA-N 2 0 304.478 2.828 20 0 DFADRP C[NH+](C)CCN(Cc1cccs1)C(=O)C[C@H]1CCCC[C@@H]1[NH3+] ZINC000423776660 296446586 /nfs/dbraw/zinc/44/65/86/296446586.db2.gz QOLGIODDAKCUSL-ZBFHGGJFSA-N 2 0 323.506 2.546 20 0 DFADRP CC[NH+]1CCC(CC[NH2+][C@H](COC)Cc2ccccc2)CC1 ZINC000121733384 195337404 /nfs/dbraw/zinc/33/74/04/195337404.db2.gz HFLNHQZXAWAOFF-IBGZPJMESA-N 2 0 304.478 2.956 20 0 DFADRP C[NH+](C)Cc1cc(C[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)ccc1F ZINC000121844750 195360024 /nfs/dbraw/zinc/36/00/24/195360024.db2.gz DECFCUROCLCDSE-JQHSSLGASA-N 2 0 318.436 2.935 20 0 DFADRP CCc1cc(N2CC[NH+](CC(C)(C)O)CC2)c2ccccc2[nH+]1 ZINC000124476131 195645059 /nfs/dbraw/zinc/64/50/59/195645059.db2.gz KPBCDIHNNRHYSS-UHFFFAOYSA-N 2 0 313.445 2.690 20 0 DFADRP CC[N@H+](CCOCC(F)F)Cc1ccc(C[NH+](C)C)cc1 ZINC000626063031 399741259 /nfs/dbraw/zinc/74/12/59/399741259.db2.gz OUUBRNQNVYAWHW-UHFFFAOYSA-N 2 0 300.393 2.852 20 0 DFADRP C[C@H]([NH3+])[C@H](C)C(=O)Nc1cccc(CC[NH+]2CCC(C)CC2)c1 ZINC000423847398 296455922 /nfs/dbraw/zinc/45/59/22/296455922.db2.gz OQJSLUNILOBAEB-HOTGVXAUSA-N 2 0 317.477 2.883 20 0 DFADRP C[C@@H](NCC[NH+]1CCCCC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272442928 130031681 /nfs/dbraw/zinc/03/16/81/130031681.db2.gz ITYHTARTBMEXLV-QUCCMNQESA-N 2 0 315.505 2.973 20 0 DFADRP C[C@@H](CCNC(=O)CCC[NH+]1CCC([NH3+])CC1)CC(C)(C)C ZINC000423920550 296466990 /nfs/dbraw/zinc/46/69/90/296466990.db2.gz GSBYMHPEXVJJGJ-HNNXBMFYSA-N 2 0 311.514 2.768 20 0 DFADRP CC[NH+](CC)CCOCC[NH2+][C@H]1CCCNc2ccccc21 ZINC000348254629 285452354 /nfs/dbraw/zinc/45/23/54/285452354.db2.gz OYOJPXWNTMDCAG-SFHVURJKSA-N 2 0 305.466 2.881 20 0 DFADRP COc1cc2c(cc1C[NH2+][C@@H](C)C1CC[NH+](C)CC1)O[C@@H](C)C2 ZINC000132112498 542640530 /nfs/dbraw/zinc/64/05/30/542640530.db2.gz IQJYEQKVYZAWRZ-KBPBESRZSA-N 2 0 318.461 2.839 20 0 DFADRP C[C@H]([NH2+]C1CCN(c2ccccc2)CC1)C1CC[NH+](C)CC1 ZINC000132812270 542644177 /nfs/dbraw/zinc/64/41/77/542644177.db2.gz WPEDJFJGNHNGMX-INIZCTEOSA-N 2 0 301.478 2.975 20 0 DFADRP CCc1ccccc1[C@H]([NH3+])CNC(=O)[C@@H]1CCCCCC[C@H]1[NH3+] ZINC000423990351 296472624 /nfs/dbraw/zinc/47/26/24/296472624.db2.gz ZEAJIPWDVIMLGE-KZNAEPCWSA-N 2 0 317.477 2.663 20 0 DFADRP C[NH+](C)CCOc1ccc(C[NH2+]CC2CCSCC2)cc1 ZINC000603515170 399785050 /nfs/dbraw/zinc/78/50/50/399785050.db2.gz XDLHGALLMWPVDH-UHFFFAOYSA-N 2 0 308.491 2.860 20 0 DFADRP C[C@@H]([NH2+]Cc1ccc(N2CCCC2)nc1)C1CC[NH+](C)CC1 ZINC000151056597 542664419 /nfs/dbraw/zinc/66/44/19/542664419.db2.gz PSKHEXGIBHOLLP-OAHLLOKOSA-N 2 0 302.466 2.502 20 0 DFADRP C[C@H](CN[C@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1)[NH+](C)C1CC1 ZINC000340232280 131238949 /nfs/dbraw/zinc/23/89/49/131238949.db2.gz QFYJKCGXZXOGGY-HHXXYDBFSA-N 2 0 301.478 2.894 20 0 DFADRP c1ccc(C[NH+]2C[C@@H]3C[NH+](CC[C@H]4CCCO4)C[C@H]3C2)cc1 ZINC000348314160 285487648 /nfs/dbraw/zinc/48/76/48/285487648.db2.gz HIZITIPCWKAYOG-GBESFXJTSA-N 2 0 300.446 2.619 20 0 DFADRP Cc1cccc2c1CC[C@@H]2[NH2+]CCCC[NH+]1CCN(C)CC1 ZINC000154351794 542688990 /nfs/dbraw/zinc/68/89/90/542688990.db2.gz NGBWTKYWLZVFLR-IBGZPJMESA-N 2 0 301.478 2.600 20 0 DFADRP CC1(C)C[NH2+][C@@H]1C1CCN(C(=O)[C@H]2CCCCCC[C@@H]2[NH3+])CC1 ZINC000424035092 296478411 /nfs/dbraw/zinc/47/84/11/296478411.db2.gz PBWSGXILWIZAMU-YESZJQIVSA-N 2 0 321.509 2.521 20 0 DFADRP C[C@H]([NH2+]Cc1cc(Cl)c2c(c1)OCCO2)C1CC[NH+](C)CC1 ZINC000155991483 542699411 /nfs/dbraw/zinc/69/94/11/542699411.db2.gz QDWMZPZHCUNFJP-LBPRGKRZSA-N 2 0 324.852 2.931 20 0 DFADRP C[NH2+]C[C@H]1CCCN(C(=O)CC[C@@H]([NH3+])CC2CCCCC2)C1 ZINC000424064300 296481893 /nfs/dbraw/zinc/48/18/93/296481893.db2.gz YWXKVNVIWPWIII-IAGOWNOFSA-N 2 0 309.498 2.522 20 0 DFADRP C[NH2+]CC1CCN(C(=O)CC[C@H]([NH3+])CC2CCCCC2)CC1 ZINC000424078036 296483400 /nfs/dbraw/zinc/48/34/00/296483400.db2.gz OZXPJPKRWQNMJN-KRWDZBQOSA-N 2 0 309.498 2.522 20 0 DFADRP C[C@H]([NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccc(-n2cncn2)cc1 ZINC000161651878 542731837 /nfs/dbraw/zinc/73/18/37/542731837.db2.gz WFNISPQJNPHNNJ-QILLFSRXSA-N 2 0 311.433 2.545 20 0 DFADRP CSC1(C[NH2+][C@@H]2[C@@H]3CCCO[C@@H]3C2(C)C)CC[NH+](C)CC1 ZINC000353633948 132141184 /nfs/dbraw/zinc/14/11/84/132141184.db2.gz YFYABMSWGVRTOM-ZNMIVQPWSA-N 2 0 312.523 2.607 20 0 DFADRP CC[NH+](CC)[C@@H](C(=O)NCC[C@H](C)[NH+](C)C)c1ccccc1 ZINC000617751739 399789980 /nfs/dbraw/zinc/78/99/80/399789980.db2.gz BYHAHSVGKXRKCU-DOTOQJQBSA-N 2 0 305.466 2.526 20 0 DFADRP C[NH+](C)[C@H]1CCc2cc(NC(=O)C[N@H+](C)C3CCC3)ccc21 ZINC000630005577 399790331 /nfs/dbraw/zinc/79/03/31/399790331.db2.gz KBGGZXFSIISWRS-KRWDZBQOSA-N 2 0 301.434 2.658 20 0 DFADRP CCC[NH+]1CCC(CNC(=O)[C@H]([NH3+])c2cccc(Cl)c2)CC1 ZINC000165868655 542749679 /nfs/dbraw/zinc/74/96/79/542749679.db2.gz HSSIOMOWJUYNJS-MRXNPFEDSA-N 2 0 323.868 2.578 20 0 DFADRP CC(C)[C@@H](CN[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)[NH+]1CCC(C)CC1 ZINC000166138789 542749894 /nfs/dbraw/zinc/74/98/94/542749894.db2.gz MLSCMVWWBVZJAD-GUDVDZBRSA-N 2 0 307.526 2.959 20 0 DFADRP C[C@@H]1CCC[N@H+](Cc2ccc(NC(=O)[C@@H]3CCC[C@@H]3[NH3+])cc2)C1 ZINC000164571742 542746541 /nfs/dbraw/zinc/74/65/41/542746541.db2.gz OKWLNDKASOGZQO-OLMNPRSZSA-N 2 0 315.461 2.984 20 0 DFADRP COCCOc1cc(C)ccc1CN[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000166819912 542752469 /nfs/dbraw/zinc/75/24/69/542752469.db2.gz QDSUIBNKQLDWAY-QZTJIDSGSA-N 2 0 318.461 2.737 20 0 DFADRP CC(C)CC[NH+]1CCC(C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000166796910 542752848 /nfs/dbraw/zinc/75/28/48/542752848.db2.gz IIMMSLGFPOJFIV-RBUKOAKNSA-N 2 0 307.526 2.961 20 0 DFADRP CN(C(=O)CC[C@H]([NH3+])CC1CCCCC1)[C@H]1CCC[NH2+]CC1 ZINC000424164126 296489627 /nfs/dbraw/zinc/48/96/27/296489627.db2.gz WKFYMKYSFYVMRG-IRXDYDNUSA-N 2 0 309.498 2.665 20 0 DFADRP CC(C)[N@H+](C)Cc1ccccc1CNC(=O)c1ccc(C[NH3+])o1 ZINC000236656640 542895536 /nfs/dbraw/zinc/89/55/36/542895536.db2.gz HAXJQXHJUZDYHA-UHFFFAOYSA-N 2 0 315.417 2.509 20 0 DFADRP CC[NH+](CC)C[C@H]1CCN(C(=O)CC[C@H]([NH3+])c2ccccc2)C1 ZINC000236903000 542898818 /nfs/dbraw/zinc/89/88/18/542898818.db2.gz KSGBVYSQAWGCSC-AEFFLSMTSA-N 2 0 317.477 2.657 20 0 DFADRP C[C@@H](CC(=O)NC[C@@H](C1CCCCC1)[NH+](C)C)C1CC[NH2+]CC1 ZINC000237453900 542902794 /nfs/dbraw/zinc/90/27/94/542902794.db2.gz HJMATRSCSQQHII-YJBOKZPZSA-N 2 0 323.525 2.639 20 0 DFADRP Cc1ccc(C)c(C[NH+]2CCC(n3ncc4c3C[NH2+]C4)CC2)c1 ZINC000424284166 296498697 /nfs/dbraw/zinc/49/86/97/296498697.db2.gz CWEQAIBOSBOHSF-UHFFFAOYSA-N 2 0 310.445 2.940 20 0 DFADRP CC[NH+](CC)C[C@H]1CCCC[C@@H]1[NH2+]C1CC(CC(=O)OC)C1 ZINC000424321542 296502013 /nfs/dbraw/zinc/50/20/13/296502013.db2.gz ULIXNPMVBPOUAC-MYBQVCMBSA-N 2 0 310.482 2.818 20 0 DFADRP CCN(CCC[NH+]1CCCC1)C(=O)Nc1cc(C)cc(C[NH3+])c1 ZINC000424424873 296508865 /nfs/dbraw/zinc/50/88/65/296508865.db2.gz IRKLBLXFJLQULV-UHFFFAOYSA-N 2 0 318.465 2.793 20 0 DFADRP c1ccc(C[N@H+]2CCC[C@H](CN[C@H]3CCC[NH2+]CC3)C2)cc1 ZINC000309764603 543065746 /nfs/dbraw/zinc/06/57/46/543065746.db2.gz ZCUMFVGJELSVMO-MOPGFXCFSA-N 2 0 301.478 2.630 20 0 DFADRP C[C@H](NC(=O)CCC(C)(C)[NH3+])[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000309770071 543065991 /nfs/dbraw/zinc/06/59/91/543065991.db2.gz HIUSAAUTANFWEY-DOTOQJQBSA-N 2 0 317.477 2.531 20 0 DFADRP OCC1(C[NH2+]C2CCN(c3cc[nH+]cc3)CC2)CCCCC1 ZINC000317378404 543075459 /nfs/dbraw/zinc/07/54/59/543075459.db2.gz JLYRYRXKAPNORE-UHFFFAOYSA-N 2 0 303.450 2.583 20 0 DFADRP Cc1ccc(NC(=O)CN2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)cc1F ZINC000321008304 543083712 /nfs/dbraw/zinc/08/37/12/543083712.db2.gz OYIFEIAOXOXQGF-PBHICJAKSA-N 2 0 319.424 2.537 20 0 DFADRP c1cnn(-c2ccc(C[N@@H+]3CCC[C@@H]([C@@H]4CCC[NH2+]4)C3)cc2)c1 ZINC000322151125 543088651 /nfs/dbraw/zinc/08/86/51/543088651.db2.gz ZCLXOXOBEUCOSH-MJGOQNOKSA-N 2 0 310.445 2.836 20 0 DFADRP CC[NH+](CC)[C@H](C)CNC(=O)[C@H](c1ccccc1)[NH+](CC)CC ZINC000348870121 285706916 /nfs/dbraw/zinc/70/69/16/285706916.db2.gz AKRWEJUDJGQVSX-AEFFLSMTSA-N 2 0 319.493 2.916 20 0 DFADRP CC(C)[N@@H+]1[C@@H]2CC[C@H]1CN(C(=O)CC[NH+]1CCCC[C@H]1C)CC2 ZINC000339284569 543143484 /nfs/dbraw/zinc/14/34/84/543143484.db2.gz RWDQUKIJDOTRKN-KURKYZTESA-N 2 0 321.509 2.725 20 0 DFADRP C[C@H](COc1ccc(F)cc1F)[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000339076104 543139578 /nfs/dbraw/zinc/13/95/78/543139578.db2.gz SDVYKOSOGNAZHB-SNPRPXQTSA-N 2 0 310.388 2.949 20 0 DFADRP c1ccc2c(c1)CC[NH+](CCCN[C@@H]1CC[N@@H+]3CCC[C@H]3C1)C2 ZINC000339076133 543139950 /nfs/dbraw/zinc/13/99/50/543139950.db2.gz TUWZMEWIARHIFS-UXHICEINSA-N 2 0 313.489 2.651 20 0 DFADRP C(CC1CC[NH+](CCOC2CCOCC2)CC1)C[NH+]1CCCC1 ZINC000625269707 399870964 /nfs/dbraw/zinc/87/09/64/399870964.db2.gz UBUFAAMCMIVJIH-UHFFFAOYSA-N 2 0 324.509 2.770 20 0 DFADRP COC1(C[N@@H+]2CCC[C@H](C[NH+]3CCC(C)CC3)C2)CCOCC1 ZINC000368437999 292111052 /nfs/dbraw/zinc/11/10/52/292111052.db2.gz ISKWQRGHEOGZTO-GOSISDBHSA-N 2 0 324.509 2.626 20 0 DFADRP CC(C)[C@@H]1CC[C@@H]1[NH2+]Cc1ccc(C(=O)NCC[NH+](C)C)cc1 ZINC000353628856 543237195 /nfs/dbraw/zinc/23/71/95/543237195.db2.gz CNBYNPOHANALIR-ROUUACIJSA-N 2 0 317.477 2.502 20 0 DFADRP C[C@@H]1CN(C(=O)c2ccc(-c3c[nH]cn3)cc2)CC[N@@H+](C2CC2)C1 ZINC000633241368 399875446 /nfs/dbraw/zinc/87/54/46/399875446.db2.gz KVGPDEFAEAXWFB-AWEZNQCLSA-N 2 0 324.428 2.633 20 0 DFADRP CS[C@H]1CC[C@@H]1[NH2+]Cc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC000425331101 296567760 /nfs/dbraw/zinc/56/77/60/296567760.db2.gz AJIVLXXRWBAZCW-ROUUACIJSA-N 2 0 320.502 2.627 20 0 DFADRP C[N@H+](CCOCc1ccccc1)Cc1cccc2c1CC[NH2+]C2 ZINC000384104367 543299328 /nfs/dbraw/zinc/29/93/28/543299328.db2.gz XVNBHXDWHXCOJN-UHFFFAOYSA-N 2 0 310.441 2.981 20 0 DFADRP C[C@@H]([NH2+]CCCN1CCc2ccccc21)C1CC[NH+](C)CC1 ZINC000386992617 543301520 /nfs/dbraw/zinc/30/15/20/543301520.db2.gz COOVFDXKKVBUFW-MRXNPFEDSA-N 2 0 301.478 2.759 20 0 DFADRP C[C@@H]1CCC[C@@H](C)[NH+]1CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000158486293 145219000 /nfs/dbraw/zinc/21/90/00/145219000.db2.gz SAVIXTQJOQDHDB-NUJGCVRESA-N 2 0 317.477 2.668 20 0 DFADRP C[C@H](CO[C@H]1CCOC1)[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000166380558 145234143 /nfs/dbraw/zinc/23/41/43/145234143.db2.gz LFKIERCUDHZWLM-QAPCUYQASA-N 2 0 310.482 2.567 20 0 DFADRP C[C@@H]([NH3+])[C@H]1CCN(Cc2nc(-c3ccc(Cl)cc3)no2)C1 ZINC000168676329 145244346 /nfs/dbraw/zinc/24/43/46/145244346.db2.gz IEKIWIPWSPGTJS-PWSUYJOCSA-N 2 0 306.797 2.559 20 0 DFADRP CC(C)OCCC[NH+]1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000171501403 145268292 /nfs/dbraw/zinc/26/82/92/145268292.db2.gz JETWDHJYBRFXOU-CALCHBBNSA-N 2 0 312.498 2.623 20 0 DFADRP Cc1nn(-c2ccc(F)cc2)c(C)c1C[NH2+][C@@H]1CCC[C@H]([NH3+])C1 ZINC000414921046 543327810 /nfs/dbraw/zinc/32/78/10/543327810.db2.gz DZPVGVDMSAOORV-JKSUJKDBSA-N 2 0 316.424 2.988 20 0 DFADRP CCCC[C@H](CC)CC[NH2+][C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1 ZINC000414981028 543328441 /nfs/dbraw/zinc/32/84/41/543328441.db2.gz BFEADDAQAOJPFW-WDYCEAGBSA-N 2 0 323.525 2.829 20 0 DFADRP COc1ccc(C[NH2+][C@H](C)[C@@H]2CC[NH2+]C2)c(C(F)(F)F)c1 ZINC000415076522 543328722 /nfs/dbraw/zinc/32/87/22/543328722.db2.gz CTVJUCCPNOZGMZ-GHMZBOCLSA-N 2 0 302.340 2.802 20 0 DFADRP CC[N@@H+]1CC[C@H](NCc2cc(OC)c(OC)c(OC)c2)[C@H](C)C1 ZINC000173363849 145341621 /nfs/dbraw/zinc/34/16/21/145341621.db2.gz FNUFIDOCCURUKA-HIFRSBDPSA-N 2 0 322.449 2.532 20 0 DFADRP O=C(CC[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1)Nc1ccccc1 ZINC000173876564 145359035 /nfs/dbraw/zinc/35/90/35/145359035.db2.gz RXJONIFCAVAJAP-QGZVFWFLSA-N 2 0 315.461 2.823 20 0 DFADRP C[NH+](C)CCc1ccc(-c2ccc3c(c2)CC[C@]([NH3+])(CO)C3)cc1 ZINC000630497900 399894902 /nfs/dbraw/zinc/89/49/02/399894902.db2.gz SPXRUNPJKJZVKH-OAQYLSRUSA-N 2 0 324.468 2.636 20 0 DFADRP CC[C@@H]1[C@@H](C(=O)Nc2ccc(C[NH+](C)C)cc2F)CC[N@@H+]1C ZINC000633418090 399901304 /nfs/dbraw/zinc/90/13/04/399901304.db2.gz UHPCCSFVOWYHHV-XJKSGUPXSA-N 2 0 307.413 2.556 20 0 DFADRP Cc1[nH+]ccc(N2CCC(CO[C@@H]3CC[NH2+]C3)CC2)c1Cl ZINC000630546346 399901352 /nfs/dbraw/zinc/90/13/52/399901352.db2.gz PIRBEGNCXVRHPZ-CQSZACIVSA-N 2 0 309.841 2.638 20 0 DFADRP C[C@H]([NH2+]Cc1ccc(=O)[nH]c1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000631108655 399982163 /nfs/dbraw/zinc/98/21/63/399982163.db2.gz DSAWZBZKPJCKID-MAUKXSAKSA-N 2 0 311.429 2.787 20 0 DFADRP CCC1([NH+]2CCCC2)CCN(C(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC000633954640 399965230 /nfs/dbraw/zinc/96/52/30/399965230.db2.gz VVQJNPZTYFELBM-IRXDYDNUSA-N 2 0 321.509 2.726 20 0 DFADRP O=c1ccc(C[NH2+][C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)c[nH]1 ZINC000631112832 399983016 /nfs/dbraw/zinc/98/30/16/399983016.db2.gz XZWDQJSGBHFGNS-IPMKNSEASA-N 2 0 323.440 2.787 20 0 DFADRP CC(C)n1ncnc1C[NH2+]CCCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000631042049 399967943 /nfs/dbraw/zinc/96/79/43/399967943.db2.gz FWNORJLYVHAJRE-HZPDHXFCSA-N 2 0 307.486 2.707 20 0 DFADRP C[C@@H](CN1CC[NH+](C)CC1)[NH2+]Cc1ccc(F)c2ccccc12 ZINC000631066814 399972870 /nfs/dbraw/zinc/97/28/70/399972870.db2.gz AXZHXCGDVHQPMV-HNNXBMFYSA-N 2 0 315.436 2.704 20 0 DFADRP COc1cc(Cl)c(CN[C@@H]2CC[N@H+](C)[C@@H](C)C2)cc1OC ZINC000631080476 399976814 /nfs/dbraw/zinc/97/68/14/399976814.db2.gz QRQUFINYLXIVMX-WCQYABFASA-N 2 0 312.841 2.930 20 0 DFADRP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1ccc(=O)[nH]c1 ZINC000631082860 399977027 /nfs/dbraw/zinc/97/70/27/399977027.db2.gz IQGYBSMQQZBVRL-MAUKXSAKSA-N 2 0 311.429 2.787 20 0 DFADRP CC[C@@H]1[C@@H](C(=O)NCCCC[NH+]2C[C@H](C)C[C@@H](C)C2)CC[N@@H+]1C ZINC000630749393 399924340 /nfs/dbraw/zinc/92/43/40/399924340.db2.gz GTVAYJABMQZTMV-ZJPYXAASSA-N 2 0 323.525 2.591 20 0 DFADRP C[NH+](C)CC1CCC([NH2+]Cc2ccnn2CC2CCC2)CC1 ZINC000631099616 399980440 /nfs/dbraw/zinc/98/04/40/399980440.db2.gz MJPCCTXPMCYGNB-UHFFFAOYSA-N 2 0 304.482 2.893 20 0 DFADRP Brc1cnccc1C[NH2+]CC1CC[NH+](C2CC2)CC1 ZINC000631121004 399984769 /nfs/dbraw/zinc/98/47/69/399984769.db2.gz MYEDLZBPZQSZKX-UHFFFAOYSA-N 2 0 324.266 2.808 20 0 DFADRP C[C@H]1C[C@H](N(C)Cc2ccc(F)c(F)c2N(C)C)CC[N@@H+]1C ZINC000628183775 399997289 /nfs/dbraw/zinc/99/72/89/399997289.db2.gz MXZJNYXREVRBIR-GXTWGEPZSA-N 2 0 311.420 2.945 20 0 DFADRP Cc1ccc([C@H](C)C[NH2+]C2CCN(CC[NH+](C)C)CC2)cc1 ZINC000628201713 400000668 /nfs/dbraw/zinc/00/06/68/400000668.db2.gz QPGLJTBOAPCELO-QGZVFWFLSA-N 2 0 303.494 2.714 20 0 DFADRP Cc1c(C[NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)cnn1C ZINC000631196188 400001519 /nfs/dbraw/zinc/00/15/19/400001519.db2.gz OHYXLRCQMHCIHM-HNAYVOBHSA-N 2 0 312.461 2.586 20 0 DFADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+]C[C@H](C)c2ccc(C)cc2)CC1 ZINC000628213485 400002456 /nfs/dbraw/zinc/00/24/56/400002456.db2.gz LXIZYIYFNDZTAS-OALUTQOASA-N 2 0 317.521 2.962 20 0 DFADRP CC(C)[C@H]1CN(C(=O)C(C)(C)[C@@H]([NH3+])c2ccccc2)CC[N@@H+]1C ZINC000634300564 400012503 /nfs/dbraw/zinc/01/25/03/400012503.db2.gz CVSDMFKOLUDPOT-SJORKVTESA-N 2 0 317.477 2.511 20 0 DFADRP CCC[C@H]([NH2+]CCCN1CC[NH+](CC)CC1)c1cc(C)ccn1 ZINC000631565533 400051646 /nfs/dbraw/zinc/05/16/46/400051646.db2.gz GFPQNLACNRAAMT-SFHVURJKSA-N 2 0 318.509 2.848 20 0 DFADRP CC[N@@H+]1CC[C@@H](C[NH2+][C@H]2CCCOc3c(OC)cccc32)C1 ZINC000631570724 400052796 /nfs/dbraw/zinc/05/27/96/400052796.db2.gz XSZBEFRDTVRZPI-HOCLYGCPSA-N 2 0 304.434 2.840 20 0 DFADRP COCCC[NH+]1CCC([NH2+][C@@H]2CCc3cc(OC)ccc32)CC1 ZINC000631575089 400053503 /nfs/dbraw/zinc/05/35/03/400053503.db2.gz QIPTXPGOSOYTHQ-LJQANCHMSA-N 2 0 318.461 2.773 20 0 DFADRP C[C@@H]1C[NH+](CCCC[NH2+][C@H]2CCCc3ncccc32)C[C@@H](C)O1 ZINC000631596973 400056640 /nfs/dbraw/zinc/05/66/40/400056640.db2.gz ORTBXMQCLHMKTC-NUJGCVRESA-N 2 0 317.477 2.938 20 0 DFADRP COc1cccc2c1OCCC[C@H]2[NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000631645311 400061216 /nfs/dbraw/zinc/06/12/16/400061216.db2.gz ZQBURJMXVLUAPA-IJEWVQPXSA-N 2 0 304.434 2.839 20 0 DFADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C[NH2+]C1CCC(O)CC1 ZINC000631664941 400064149 /nfs/dbraw/zinc/06/41/49/400064149.db2.gz SPFVCVGTKCFGBF-BJMVHTGZSA-N 2 0 302.462 2.648 20 0 DFADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C[NH2+][C@@H]1CCCOCC1 ZINC000631665763 400064153 /nfs/dbraw/zinc/06/41/53/400064153.db2.gz XQTMSZSQPQTOHT-BHIYHBOVSA-N 2 0 302.462 2.913 20 0 DFADRP O[C@@H](CC[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)C(F)F ZINC000631697969 400067761 /nfs/dbraw/zinc/06/77/61/400067761.db2.gz AHAPRMJFAFGWRN-YVSFHVDLSA-N 2 0 324.415 2.788 20 0 DFADRP C[C@@H]1CCC[C@H]([NH+]2CCC([NH2+]CC[C@H](O)C(F)F)CC2)C1 ZINC000631699500 400068177 /nfs/dbraw/zinc/06/81/77/400068177.db2.gz ZXSQDGFLSGJUEI-SNPRPXQTSA-N 2 0 304.425 2.635 20 0 DFADRP C[C@@H]([NH2+][C@@H](C)C1CC[NH+](C)CC1)c1ccc2[nH]c(=O)oc2c1 ZINC000631736713 400071215 /nfs/dbraw/zinc/07/12/15/400071215.db2.gz UZAUHAKIOLLUQQ-NWDGAFQWSA-N 2 0 303.406 2.914 20 0 DFADRP CC(C)[C@H]1CN([C@H]2C[NH+](Cc3ccccc3)C[C@@H]2C)CC[N@@H+]1C ZINC000631794099 400075936 /nfs/dbraw/zinc/07/59/36/400075936.db2.gz RMGGTNJQOOVMQP-SXLOBPIMSA-N 2 0 315.505 2.779 20 0 DFADRP CC(C)[C@H]1CN([C@@H]2C[NH+](Cc3ccccc3)C[C@@H]2C)CC[N@@H+]1C ZINC000631794093 400075985 /nfs/dbraw/zinc/07/59/85/400075985.db2.gz RMGGTNJQOOVMQP-DFQSSKMNSA-N 2 0 315.505 2.779 20 0 DFADRP c1cc(C[N@@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)c2c(c1)COCC2 ZINC000631827482 400078028 /nfs/dbraw/zinc/07/80/28/400078028.db2.gz PDDSSEDFMQJGCH-HZPDHXFCSA-N 2 0 300.446 2.581 20 0 DFADRP Cc1cc(C)c(C[NH+]2CCC([C@H]3OCCC[C@@H]3[NH3+])CC2)c(C)n1 ZINC000631828323 400078140 /nfs/dbraw/zinc/07/81/40/400078140.db2.gz LPULEUUONVSMSC-RBUKOAKNSA-N 2 0 317.477 2.725 20 0 DFADRP FC1(F)CC[C@@H](C[NH+]2CCC(CO[C@@H]3CC[NH2+]C3)CC2)C1 ZINC000631830375 400078300 /nfs/dbraw/zinc/07/83/00/400078300.db2.gz QKRSGXMDQLHCGY-HUUCEWRRSA-N 2 0 302.409 2.512 20 0 DFADRP Cc1cc(C)c(C[NH+]2CCC(CO[C@@H]3CC[NH2+]C3)CC2)c(C)n1 ZINC000631830223 400078318 /nfs/dbraw/zinc/07/83/18/400078318.db2.gz MPPQDGXGFAVNES-GOSISDBHSA-N 2 0 317.477 2.597 20 0 DFADRP C[NH+]1CCC(C)(C[NH2+]Cc2ccc(Br)cn2)CC1 ZINC000227328935 146005943 /nfs/dbraw/zinc/00/59/43/146005943.db2.gz HYPYHHWLKKMEFB-UHFFFAOYSA-N 2 0 312.255 2.666 20 0 DFADRP C[NH+](C)CCOCC[NH2+]Cc1ccc(F)c(C(F)(F)F)c1 ZINC000231675938 146016550 /nfs/dbraw/zinc/01/65/50/146016550.db2.gz GYOQEUIEFHTIBZ-UHFFFAOYSA-N 2 0 308.319 2.512 20 0 DFADRP Cc1ccc2[nH]c(C[NH2+][C@@H](C)CN3CC[NH+](C)CC3)cc2c1C ZINC000349675947 285913546 /nfs/dbraw/zinc/91/35/46/285913546.db2.gz ZGELVZLPOUMHOX-HNNXBMFYSA-N 2 0 314.477 2.510 20 0 DFADRP CCCC[C@@H]([NH3+])C(=O)N1CCC[N@H+](CC2CCCCC2)CC1 ZINC000236707893 146024739 /nfs/dbraw/zinc/02/47/39/146024739.db2.gz DXUNTXRYHSLJTP-QGZVFWFLSA-N 2 0 309.498 2.619 20 0 DFADRP C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)CCC1CC[NH2+]CC1 ZINC000237668497 146050166 /nfs/dbraw/zinc/05/01/66/146050166.db2.gz HBXKTQSMIDATLP-MRXNPFEDSA-N 2 0 309.498 2.537 20 0 DFADRP CC[N@@H+]1CC[C@H]([NH+](C)CCOc2ccc(OC)cc2)[C@@H](C)C1 ZINC000245415622 146067842 /nfs/dbraw/zinc/06/78/42/146067842.db2.gz DJOXYJKVXMNMMN-YJBOKZPZSA-N 2 0 306.450 2.736 20 0 DFADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@H]2COC3(CCCCCC3)O2)[C@@H](C)C1 ZINC000245559492 146084011 /nfs/dbraw/zinc/08/40/11/146084011.db2.gz IEWSMTKMAHNYPT-ULQDDVLXSA-N 2 0 310.482 2.772 20 0 DFADRP CC[N@H+](C)CCN[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC000245682856 146093219 /nfs/dbraw/zinc/09/32/19/146093219.db2.gz JDEDNHLNKLCKGV-REPLKXPHSA-N 2 0 301.478 2.723 20 0 DFADRP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2c[nH]nc2-c2cccnc2)[C@@H](C)C1 ZINC000245739342 146099084 /nfs/dbraw/zinc/09/90/84/146099084.db2.gz LJWGWSDZTIIHJT-WMLDXEAASA-N 2 0 313.449 2.634 20 0 DFADRP C[NH+](C)CCCN[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000245744280 146099394 /nfs/dbraw/zinc/09/93/94/146099394.db2.gz SESOHOMVQCOFPK-REPLKXPHSA-N 2 0 301.478 2.723 20 0 DFADRP C[C@@H](CCCO)[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000245745671 146099439 /nfs/dbraw/zinc/09/94/39/146099439.db2.gz SLVJVFQQFYZMGG-DSLXNQLJSA-N 2 0 302.462 2.933 20 0 DFADRP C[C@H]1C[N@H+](Cc2ccccc2)CCN1CC[C@H]1CCC[NH+]1C ZINC000245750980 146099591 /nfs/dbraw/zinc/09/95/91/146099591.db2.gz YSPSOPZFQDKLMQ-PKOBYXMFSA-N 2 0 301.478 2.677 20 0 DFADRP c1coc([C@H](CN[C@H]2CC[N@@H+]3CCC[C@H]3C2)[NH+]2CCCC2)c1 ZINC000246014438 146114840 /nfs/dbraw/zinc/11/48/40/146114840.db2.gz SIYOOCZCCSSWQI-ULQDDVLXSA-N 2 0 303.450 2.633 20 0 DFADRP COCC[C@@H](C)[NH+]1CCC(CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000446786447 543360203 /nfs/dbraw/zinc/36/02/03/543360203.db2.gz UPEFYFIYWOXLNH-ZACQAIPSSA-N 2 0 312.498 2.623 20 0 DFADRP CC[N@@H+]1CC[C@H]([NH2+]Cc2cccc(OCCCOC)c2)[C@@H](C)C1 ZINC000246596528 146144212 /nfs/dbraw/zinc/14/42/12/146144212.db2.gz ZUWLJUTXGMWZHV-LPHOPBHVSA-N 2 0 320.477 2.922 20 0 DFADRP C[C@H]1CN(Cc2ccccn2)CC[C@H]1[NH2+]CCc1nccs1 ZINC000246893833 146157826 /nfs/dbraw/zinc/15/78/26/146157826.db2.gz DYWAWOFGFZSIBL-GOEBONIOSA-N 2 0 316.474 2.581 20 0 DFADRP Cc1ccc(NC(=O)[C@@H](C)N(C)C[C@H]2CCC[N@H+](C)C2)cc1C ZINC000247140815 146163400 /nfs/dbraw/zinc/16/34/00/146163400.db2.gz XBBNFSNBLPPHNJ-SJORKVTESA-N 2 0 317.477 2.904 20 0 DFADRP C[C@H]1C[C@H](NC2C[C@H]3CC[C@@H](C2)[NH+]3C)C[N@@H+]1Cc1ccccc1 ZINC000249031025 146183008 /nfs/dbraw/zinc/18/30/08/146183008.db2.gz RCRABHYFWIYBCA-VAKYOOAGSA-N 2 0 313.489 2.864 20 0 DFADRP C[C@H]([NH2+]C1CCC([NH3+])CC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000261539720 146237859 /nfs/dbraw/zinc/23/78/59/146237859.db2.gz DBBOAPHHHQZRQC-XMZVIZOASA-N 3 0 301.478 2.757 20 0 DFADRP C[N@H+](CC[C@@H]1CC[NH2+]C1)C1CCN(Cc2ccccc2)CC1 ZINC000261545205 146237941 /nfs/dbraw/zinc/23/79/41/146237941.db2.gz JQFXLARXFLVHDR-KRWDZBQOSA-N 2 0 301.478 2.582 20 0 DFADRP C[C@@H]1C[C@@H](C[N@H+](C)[C@H]2CCN(Cc3ccccc3)C2)CC[NH2+]1 ZINC000261539616 146238426 /nfs/dbraw/zinc/23/84/26/146238426.db2.gz CWBACPSREQQLAT-NEWSRXKRSA-N 2 0 301.478 2.581 20 0 DFADRP Cc1oc(-c2cccs2)nc1CN1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000261601877 146243466 /nfs/dbraw/zinc/24/34/66/146243466.db2.gz BXMPCGUPIQRKBC-STQMWFEESA-N 2 0 303.431 2.753 20 0 DFADRP CC1(C)C[NH2+]CC[C@@H]1[NH2+]Cc1cc(Br)cs1 ZINC000261596838 146244211 /nfs/dbraw/zinc/24/42/11/146244211.db2.gz YYQDEFXPEKCNFC-NSHDSACASA-N 2 0 303.269 2.988 20 0 DFADRP COc1ccc2cc(CN3CC[C@H](OC)C[C@@H]3C[NH3+])ccc2c1 ZINC000261610634 146246593 /nfs/dbraw/zinc/24/65/93/146246593.db2.gz BBPANGOJQXIEAT-MJGOQNOKSA-N 2 0 314.429 2.787 20 0 DFADRP c1ccc(-c2ccc(C[N@@H+]3CC[C@H](N4CC[NH2+]CC4)C3)cc2)cc1 ZINC000261631134 146249353 /nfs/dbraw/zinc/24/93/53/146249353.db2.gz HHXKLIDXEKVANB-NRFANRHFSA-N 2 0 321.468 2.833 20 0 DFADRP [NH3+]C[C@@H]1C[N@H+](CCc2ccc3c(c2)CCO3)C[C@H]1c1ccccc1 ZINC000261627500 146249749 /nfs/dbraw/zinc/24/97/49/146249749.db2.gz DNHBPEAYTIYDFD-UXHICEINSA-N 2 0 322.452 2.838 20 0 DFADRP C[NH2+]C[C@H]1CCC[N@H+](Cc2ccc(C)cc2-c2cnn(C)c2)C1 ZINC000261648407 146253978 /nfs/dbraw/zinc/25/39/78/146253978.db2.gz AWTIYCQUKPFEEY-MRXNPFEDSA-N 2 0 312.461 2.827 20 0 DFADRP Cc1cc(C)c(NC(=O)[C@@H](C)N2CC[C@](C)(C[NH3+])C2)c(C)c1 ZINC000261671979 146258154 /nfs/dbraw/zinc/25/81/54/146258154.db2.gz JENPUULQKIPTQQ-CRAIPNDOSA-N 2 0 303.450 2.610 20 0 DFADRP CCC(CC)(CNC(=O)C[C@H](C)[NH3+])[NH2+][C@H](C)c1ccccc1 ZINC000261701950 146262509 /nfs/dbraw/zinc/26/25/09/146262509.db2.gz CRUUORMXANLKNF-LSDHHAIUSA-N 2 0 305.466 2.750 20 0 DFADRP CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)C[C@@H]2CCC[C@H]2[NH3+])C1 ZINC000261714878 146265603 /nfs/dbraw/zinc/26/56/03/146265603.db2.gz JOUURXZNYGRUTG-OWCLPIDISA-N 2 0 309.498 2.521 20 0 DFADRP CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C[C@@]1(C)CC[NH2+]C1 ZINC000261736424 146267375 /nfs/dbraw/zinc/26/73/75/146267375.db2.gz HVKNYNMYGOICDP-UXHICEINSA-N 2 0 315.505 2.830 20 0 DFADRP c1cc2c(cc1CC[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1)OCCO2 ZINC000261752559 146270312 /nfs/dbraw/zinc/27/03/12/146270312.db2.gz PCPXVPFBINSVQU-GVDBMIGSSA-N 2 0 316.445 2.511 20 0 DFADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]C1CCN(c2ccccn2)CC1 ZINC000261762156 146272235 /nfs/dbraw/zinc/27/22/35/146272235.db2.gz PYSXJHMAAWRXNF-AEFFLSMTSA-N 2 0 316.493 2.951 20 0 DFADRP C[C@@]1(C[NH3+])CC[N@H+](Cc2cccc(OCc3ccccn3)c2)C1 ZINC000261781551 146276321 /nfs/dbraw/zinc/27/63/21/146276321.db2.gz TYPLFSFCWJYVJX-IBGZPJMESA-N 2 0 311.429 2.831 20 0 DFADRP CC[C@@H]1C[N@H+](CC2CC[NH2+]CC2)CCN1Cc1ccccc1 ZINC000261831449 146284788 /nfs/dbraw/zinc/28/47/88/146284788.db2.gz JBBKULZBZYVLPK-LJQANCHMSA-N 2 0 301.478 2.582 20 0 DFADRP CCC(CC)(C[NH3+])C(=O)N[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000261907587 146298592 /nfs/dbraw/zinc/29/85/92/146298592.db2.gz HEWGKWQTURGZSW-WBVHZDCISA-N 2 0 317.477 2.703 20 0 DFADRP CC(C)c1cccc(NC(=O)C[NH+]2CCC([C@@H](C)[NH3+])CC2)c1 ZINC000261923544 146302460 /nfs/dbraw/zinc/30/24/60/146302460.db2.gz IFSYJSMIMRYCHQ-CQSZACIVSA-N 2 0 303.450 2.808 20 0 DFADRP Cc1ccc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)c(-c2cnn(C)c2)c1 ZINC000261925845 146303042 /nfs/dbraw/zinc/30/30/42/146303042.db2.gz LAQLLHGVMCTSBT-BEVDRBHNSA-N 2 0 324.472 2.955 20 0 DFADRP [NH3+]C1CCC([NH2+]C2CCN(CCc3ccccc3)CC2)CC1 ZINC000261928950 146303802 /nfs/dbraw/zinc/30/38/02/146303802.db2.gz JEWQDACTVZLWJT-UHFFFAOYSA-N 2 0 301.478 2.553 20 0 DFADRP COc1ccc([C@@H]2CCCN2C[C@]2(C)CC[NH2+]C2)c(OC)c1 ZINC000261929063 146304587 /nfs/dbraw/zinc/30/45/87/146304587.db2.gz CNGRGHGJPYGAGJ-FUHWJXTLSA-N 2 0 304.434 2.840 20 0 DFADRP CC[C@@H]1CN(C[C@@H]2CCC[NH2+]C2)CC[N@@H+]1Cc1ccccc1 ZINC000261954904 146308999 /nfs/dbraw/zinc/30/89/99/146308999.db2.gz OLOLVOMQUFAIRX-RTBURBONSA-N 2 0 301.478 2.582 20 0 DFADRP FC(F)(F)COc1ccc(CN2CC[C@]3(CC[NH2+]C3)C2)cc1 ZINC000261949854 146309111 /nfs/dbraw/zinc/30/91/11/146309111.db2.gz FUMMLPZCWZDDEW-HNNXBMFYSA-N 2 0 314.351 2.813 20 0 DFADRP CCN(C(=O)[C@@H](C)[NH+]1CCC(CC[NH2+]C)CC1)c1ccccc1 ZINC000261965090 146311493 /nfs/dbraw/zinc/31/14/93/146311493.db2.gz ASBBOZPMDYDABW-MRXNPFEDSA-N 2 0 317.477 2.750 20 0 DFADRP C[NH2+]CCC1CC[NH+]([C@@H](C)C(=O)Nc2cccc(C)c2)CC1 ZINC000261982200 146314959 /nfs/dbraw/zinc/31/49/59/146314959.db2.gz IMMNKYICTDFUAU-HNNXBMFYSA-N 2 0 303.450 2.644 20 0 DFADRP COc1ccc(C[NH+]2CCC([C@H]3CCC[NH2+]3)CC2)cc1OC ZINC000261982443 146315980 /nfs/dbraw/zinc/31/59/80/146315980.db2.gz ROPNAJRWMCTWTO-MRXNPFEDSA-N 2 0 304.434 2.668 20 0 DFADRP Cc1ccc(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)c(-c2ccnn2C)c1 ZINC000261981119 146316130 /nfs/dbraw/zinc/31/61/30/146316130.db2.gz RIUCLQVAXSDWOA-KFKAGJAMSA-N 2 0 324.472 2.955 20 0 DFADRP C[NH2+]CCC1CC[NH+]([C@H](C)C(=O)Nc2cc(F)ccc2C)CC1 ZINC000262010326 146322377 /nfs/dbraw/zinc/32/23/77/146322377.db2.gz TUDMNJPBYGBSHT-CQSZACIVSA-N 2 0 321.440 2.783 20 0 DFADRP Cn1cc(C[N@@H+]2CCC3(C2)CC[NH2+]CC3)c(-c2ccccc2)n1 ZINC000262020854 146323784 /nfs/dbraw/zinc/32/37/84/146323784.db2.gz NFTKDNMFSFFYDV-UHFFFAOYSA-N 2 0 310.445 2.663 20 0 DFADRP Cn1ccnc1C[N@H+](CCC(C)(C)C)[C@H]1CC12CC[NH2+]CC2 ZINC000262018926 146323947 /nfs/dbraw/zinc/32/39/47/146323947.db2.gz VZJPYLYFEBINOK-HNNXBMFYSA-N 2 0 304.482 2.800 20 0 DFADRP C[N@H+](Cc1ccc(OC[C@H]2CCCO2)cc1)[C@H]1CCC[NH2+]CC1 ZINC000262073032 146330609 /nfs/dbraw/zinc/33/06/09/146330609.db2.gz CUNPOXCDTVVTIU-PKOBYXMFSA-N 2 0 318.461 2.818 20 0 DFADRP [NH3+]Cc1ccc(-c2noc([C@H]3CCCCCC[C@@H]3[NH3+])n2)cc1 ZINC000262130441 146336836 /nfs/dbraw/zinc/33/68/36/146336836.db2.gz YCMBSHCIZKVHNN-GJZGRUSLSA-N 2 0 300.406 2.960 20 0 DFADRP c1cc(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)cc2c1OCO2 ZINC000262322426 146351583 /nfs/dbraw/zinc/35/15/83/146351583.db2.gz RHJLICVKGGYPIB-HRCADAONSA-N 2 0 302.418 2.816 20 0 DFADRP C[C@@H](C(=O)Nc1ccc(C[N@@H+]2CCCC[C@@H]2C)cc1)C1C[NH2+]C1 ZINC000262339779 146352236 /nfs/dbraw/zinc/35/22/36/146352236.db2.gz HTACOVOZXIGRFH-LSDHHAIUSA-N 2 0 315.461 2.855 20 0 DFADRP COc1cccc(CN2CCC([NH2+]CC3CC3)CC2)c1OC ZINC000262335639 146352562 /nfs/dbraw/zinc/35/25/62/146352562.db2.gz SYFKXRNIVJPJCI-UHFFFAOYSA-N 2 0 304.434 2.668 20 0 DFADRP C[C@H](C(=O)Nc1ccc(C[N@@H+]2CCCC[C@H]2C)cc1)C1C[NH2+]C1 ZINC000262339770 146352727 /nfs/dbraw/zinc/35/27/27/146352727.db2.gz HTACOVOZXIGRFH-CABCVRRESA-N 2 0 315.461 2.855 20 0 DFADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]C[C@H]1COc2ccccc2O1 ZINC000262358476 146353753 /nfs/dbraw/zinc/35/37/53/146353753.db2.gz WEIMOEVKMJTCFB-PMPSAXMXSA-N 2 0 304.434 2.727 20 0 DFADRP CCC[C@](C)([NH3+])C(=O)NC1CCC([NH+]2CCC(C)CC2)CC1 ZINC000262573684 146374299 /nfs/dbraw/zinc/37/42/99/146374299.db2.gz NOMFDBCGHJDATO-HTWSVDAQSA-N 2 0 309.498 2.663 20 0 DFADRP C[C@H]([NH2+]C(C)(C)CNC(=O)C1([NH3+])CCCC1)c1ccccc1 ZINC000262638678 146379598 /nfs/dbraw/zinc/37/95/98/146379598.db2.gz JETQGNCTOSKYCY-AWEZNQCLSA-N 2 0 303.450 2.504 20 0 DFADRP CCC[NH+]1CCC(C[NH2+][C@@H]2CC[C@@H](CC(=O)OC)[C@@H]2C)CC1 ZINC000354352118 147004537 /nfs/dbraw/zinc/00/45/37/147004537.db2.gz ONLADVRNUOFJGC-BHYGNILZSA-N 2 0 310.482 2.676 20 0 DFADRP Cc1cccc(NC(=O)[C@@H](C)[NH+]2CCC(C[NH+](C)C)CC2)c1 ZINC000354383817 147017423 /nfs/dbraw/zinc/01/74/23/147017423.db2.gz KMLZQQLDTAYLPA-OAHLLOKOSA-N 2 0 303.450 2.596 20 0 DFADRP Cc1ccc(CCC[N@@H+]2CCSC3(CCOCC3)C2)cn1 ZINC000354636372 147099586 /nfs/dbraw/zinc/09/95/86/147099586.db2.gz NHGRTOAHNPQCJG-UHFFFAOYSA-N 2 0 306.475 2.921 20 0 DFADRP C[C@@H]1CCN(C(=O)CC[C@H]2CCCC[N@@H+]2C)C[C@H]1n1ccnc1 ZINC000354791672 147152320 /nfs/dbraw/zinc/15/23/20/147152320.db2.gz IBJRBYORXGUOCO-BRWVUGGUSA-N 2 0 318.465 2.557 20 0 DFADRP CCC1CC[NH+](CC(=O)NC[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC000354819553 147163226 /nfs/dbraw/zinc/16/32/26/147163226.db2.gz OSMOHAGCMXEMHT-GOSISDBHSA-N 2 0 317.477 2.528 20 0 DFADRP C[C@@H]([NH2+]CCCC[NH+](C)C)c1ccc(Br)cn1 ZINC000519259674 543426218 /nfs/dbraw/zinc/42/62/18/543426218.db2.gz LXDDQIWASHLBHB-LLVKDONJSA-N 2 0 300.244 2.837 20 0 DFADRP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCCN2Cc1ccc(F)c(F)c1 ZINC000355229050 147231465 /nfs/dbraw/zinc/23/14/65/147231465.db2.gz YARKZCIIMQWSNW-XYPHTWIQSA-N 2 0 310.388 2.648 20 0 DFADRP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCCN2Cc1ccc(F)c(F)c1 ZINC000355229047 147231972 /nfs/dbraw/zinc/23/19/72/147231972.db2.gz YARKZCIIMQWSNW-XOKHGSTOSA-N 2 0 310.388 2.648 20 0 DFADRP COc1ccnc(CN(C)CC[NH+](C(C)C)C(C)C)c1OC ZINC000355294258 147255080 /nfs/dbraw/zinc/25/50/80/147255080.db2.gz PSCWUYYOVOXQIX-UHFFFAOYSA-N 2 0 309.454 2.649 20 0 DFADRP C[C@H](C(=O)NCCCCC[NH+]1CCCC1)[NH+]1[C@H](C)CC[C@H]1C ZINC000357090523 147857262 /nfs/dbraw/zinc/85/72/62/147857262.db2.gz RZJNRWUWQDTQLR-BRWVUGGUSA-N 2 0 309.498 2.630 20 0 DFADRP CCC(C)(C)[NH2+][C@H](C)C(=O)NCc1ccc(C[NH+](C)C)c(F)c1 ZINC000357612166 148057419 /nfs/dbraw/zinc/05/74/19/148057419.db2.gz XDDLHBFLZDXXGL-CYBMUJFWSA-N 2 0 323.456 2.670 20 0 DFADRP c1c(C[NH2+]CCCOc2ccccc2)onc1C1CC[NH2+]CC1 ZINC000425892839 296602765 /nfs/dbraw/zinc/60/27/65/296602765.db2.gz BUOPXQPSKQNEDD-UHFFFAOYSA-N 2 0 315.417 2.700 20 0 DFADRP C[C@@](O)(C[NH2+]Cc1cc(C2CC[NH2+]CC2)no1)C1CCCCC1 ZINC000425896709 296603138 /nfs/dbraw/zinc/60/31/38/296603138.db2.gz QEKCPBXROPQVJK-GOSISDBHSA-N 2 0 321.465 2.563 20 0 DFADRP C[C@@H]1CN(C)C[C@H]1[NH2+]CCOc1ccc(C(F)(F)F)cc1 ZINC000358024582 148215895 /nfs/dbraw/zinc/21/58/95/148215895.db2.gz RALROCKKWPRUPY-BXUZGUMPSA-N 2 0 302.340 2.624 20 0 DFADRP C[C@@H](NC(=O)Nc1cccc(C[NH+](C)C)c1)C1=CC[N@H+](C)CC1 ZINC000358072092 148233214 /nfs/dbraw/zinc/23/32/14/148233214.db2.gz BMJIKVVKNAUMMH-CQSZACIVSA-N 2 0 316.449 2.520 20 0 DFADRP C[C@@H]1CN(C2CC2)C[C@@H]1[NH2+][C@@H](c1ccccc1)[C@@H]1CCCO1 ZINC000358077563 148234999 /nfs/dbraw/zinc/23/49/99/148234999.db2.gz APXXKNZRUYSOIN-FCLVOEFKSA-N 2 0 300.446 2.979 20 0 DFADRP c1c(C[NH2+]CCCOC2CCCC2)onc1C1CC[NH2+]CC1 ZINC000425904297 296604001 /nfs/dbraw/zinc/60/40/01/296604001.db2.gz YDQMNHBKSLZXQF-UHFFFAOYSA-N 2 0 307.438 2.581 20 0 DFADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CCc2ccccc2O)[C@@H](C)C1 ZINC000358209388 148286288 /nfs/dbraw/zinc/28/62/88/148286288.db2.gz WUSTUDCSMSBOFL-FUHWJXTLSA-N 2 0 320.477 2.661 20 0 DFADRP Cc1cc(F)c(C[NH2+][C@@H]2CCN(C3CC[NH+](C)CC3)C2)c(F)c1 ZINC000643760381 543505445 /nfs/dbraw/zinc/50/54/45/543505445.db2.gz OCVIOWQAHCJDQF-CQSZACIVSA-N 2 0 323.431 2.531 20 0 DFADRP CCC[N@H+](C)CC(=O)N1CCC(CC[NH+]2CCCC[C@@H]2C)CC1 ZINC000358453313 148364919 /nfs/dbraw/zinc/36/49/19/148364919.db2.gz WBCXDNGQDMCSMR-KRWDZBQOSA-N 2 0 323.525 2.831 20 0 DFADRP C[C@H](CN[C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21)[NH+](C)C ZINC000358560546 148386770 /nfs/dbraw/zinc/38/67/70/148386770.db2.gz FCVBSTKSTZQPRH-RSPOEFSDSA-N 2 0 315.505 2.827 20 0 DFADRP C[C@@H]([NH2+]CCc1ccc(OCC[NH+](C)C)cc1)c1ccncc1 ZINC000350513135 286053861 /nfs/dbraw/zinc/05/38/61/286053861.db2.gz KDCVATZDGNYXDI-MRXNPFEDSA-N 2 0 313.445 2.915 20 0 DFADRP Cn1nccc1C[N@@H+]1CCCC[C@H]1[C@@H](C[NH3+])Cc1ccccc1 ZINC000350562260 286060119 /nfs/dbraw/zinc/06/01/19/286060119.db2.gz ZOKMYZHXVKEDJD-MJGOQNOKSA-N 2 0 312.461 2.592 20 0 DFADRP C[C@@H]1CCCC[N@@H+]1CCC1CC[NH+](C[C@@]2(O)CCCOC2)CC1 ZINC000660006765 543524502 /nfs/dbraw/zinc/52/45/02/543524502.db2.gz UGGKCUXQUBJNSC-MJGOQNOKSA-N 2 0 324.509 2.504 20 0 DFADRP C[NH+](C)Cc1ccc(-c2noc([C@@H]3CCC[C@H]([NH3+])C3)n2)cc1 ZINC000350723899 286077630 /nfs/dbraw/zinc/07/76/30/286077630.db2.gz FXYAMJZSKRSSBJ-CABCVRRESA-N 2 0 300.406 2.783 20 0 DFADRP C[C@@H]([NH2+][C@@H]1CCN(C2CC2)C1)c1ccc(OCC[NH+](C)C)cc1 ZINC000361067713 149022289 /nfs/dbraw/zinc/02/22/89/149022289.db2.gz JJJOXOGNWUIQOM-NVXWUHKLSA-N 3 0 317.477 2.514 20 0 DFADRP COCCNc1ccc(C[NH2+][C@@H]2C[C@@H](C)[N@H+](C)C[C@@H]2C)cc1 ZINC000361183959 149049220 /nfs/dbraw/zinc/04/92/20/149049220.db2.gz HMBLZWLUMOKWCD-HDMKZQKVSA-N 2 0 305.466 2.563 20 0 DFADRP C[C@@H]1C[N@@H+]([C@@H]2C[C@H]2c2ccccc2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000361348299 149093670 /nfs/dbraw/zinc/09/36/70/149093670.db2.gz JIDJWBGVDUFDBL-BTHPGYMESA-N 2 0 313.489 2.500 20 0 DFADRP CC(C)(CNC(=O)[C@H]1CCC[N@@H+]1C1CCCC1)C[NH+]1CCCC1 ZINC000361384489 149100777 /nfs/dbraw/zinc/10/07/77/149100777.db2.gz KRZZGXRIQTVBNQ-QGZVFWFLSA-N 2 0 321.509 2.632 20 0 DFADRP C[C@H]([NH2+]C[C@@]1(C)CCOC1)c1ccc(OCC[NH+](C)C)cc1 ZINC000361387221 149102357 /nfs/dbraw/zinc/10/23/57/149102357.db2.gz USIGQLNVMIJXEM-MAUKXSAKSA-N 2 0 306.450 2.704 20 0 DFADRP C[C@H](CNC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)[NH+](C)C ZINC000361419680 149109706 /nfs/dbraw/zinc/10/97/06/149109706.db2.gz GLBOTTQYLKHEDJ-BPIHKTFHSA-N 2 0 301.478 2.722 20 0 DFADRP Cc1cc(-n2ccnc2)ccc1C[NH+]1CCC(C[NH+](C)C)CC1 ZINC000361692741 149194522 /nfs/dbraw/zinc/19/45/22/149194522.db2.gz NJNQYYUWGXVGFG-UHFFFAOYSA-N 2 0 312.461 2.954 20 0 DFADRP CCC[C@](C)([NH3+])C(=O)NC1CC[NH+](CC2CCCCC2)CC1 ZINC000361729370 149203428 /nfs/dbraw/zinc/20/34/28/149203428.db2.gz RPRWRULRAZQHDG-SFHVURJKSA-N 2 0 309.498 2.665 20 0 DFADRP CCSc1ccccc1[C@H](C)[NH2+]CC1(O)CC[NH+](C)CC1 ZINC000361878075 149243233 /nfs/dbraw/zinc/24/32/33/149243233.db2.gz XHIKRQRQQFUJPA-AWEZNQCLSA-N 2 0 308.491 2.906 20 0 DFADRP C[C@@H]([NH2+]CC1(O)CC[NH+](C)CC1)c1ccc(F)c(Cl)c1 ZINC000361881792 149244955 /nfs/dbraw/zinc/24/49/55/149244955.db2.gz WSXRSSVCBAYFIF-LLVKDONJSA-N 2 0 300.805 2.586 20 0 DFADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]C[C@H]2CCCS2)[C@@H](C)C1 ZINC000362011432 149274889 /nfs/dbraw/zinc/27/48/89/149274889.db2.gz DOWKVMPGITVFEL-XHSDSOJGSA-N 2 0 300.512 2.609 20 0 DFADRP Cc1ccc(C)c(C[N@@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@@H](C)C2)c1 ZINC000362079436 149290262 /nfs/dbraw/zinc/29/02/62/149290262.db2.gz PDXFASHWBVMHOF-AZUAARDMSA-N 2 0 315.505 2.761 20 0 DFADRP C[C@@H]1CC[C@@H](C)[NH+]1[C@H]1CCCN(C(=O)CC2CC[NH+](C)CC2)C1 ZINC000362669182 149338170 /nfs/dbraw/zinc/33/81/70/149338170.db2.gz UHTKWDQGAIPKMM-NUJGCVRESA-N 2 0 321.509 2.582 20 0 DFADRP [NH3+][C@@H]1CC[C@H]2C[N@H+](Cc3cccc(OCC(F)(F)F)c3)C[C@@H]12 ZINC000351472249 286128536 /nfs/dbraw/zinc/12/85/36/286128536.db2.gz AHTUXBPBOLYIDR-NWANDNLSSA-N 2 0 314.351 2.797 20 0 DFADRP Cn1ccnc1CC1CCN(Cc2c(F)ccc(O)c2F)CC1 ZINC000351482998 286131956 /nfs/dbraw/zinc/13/19/56/286131956.db2.gz LOIGBOPLENPFJP-UHFFFAOYSA-N 2 0 321.371 2.859 20 0 DFADRP CC(=O)c1c(C)cc(C)c(C[N@@H+]2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)c1C ZINC000351492452 286134672 /nfs/dbraw/zinc/13/46/72/286134672.db2.gz LHOZRLHJRQKITR-JQHSSLGASA-N 2 0 300.446 2.984 20 0 DFADRP CC(C)[NH+]1CCC(NC(=O)C[N@@H+]2C[C@H]3CCCCCC[C@H]32)CC1 ZINC000371208183 150004133 /nfs/dbraw/zinc/00/41/33/150004133.db2.gz HBIKFXLIKFTZQE-SJLPKXTDSA-N 2 0 321.509 2.630 20 0 DFADRP Cc1ccc(C)c(C[N@H+]2CCC[C@H](CN3CC[NH+](C)CC3)C2)c1 ZINC000371265817 150012251 /nfs/dbraw/zinc/01/22/51/150012251.db2.gz FSEFWGPGYFDZGA-LJQANCHMSA-N 2 0 315.505 2.763 20 0 DFADRP COCc1cccc(C[N@@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@H]32)c1 ZINC000371295500 150017500 /nfs/dbraw/zinc/01/75/00/150017500.db2.gz RYTXAXQTEJIXDH-GUDVDZBRSA-N 2 0 318.461 2.517 20 0 DFADRP c1[nH]nc(-c2ccccc2)c1CN1C[C@@H]2C[N@@H+]3CCCC[C@H]3[C@@H]2C1 ZINC000371403030 150040368 /nfs/dbraw/zinc/04/03/68/150040368.db2.gz HSLZRMDBUFVKPQ-QRVBRYPASA-N 2 0 322.456 2.993 20 0 DFADRP C[C@@H]1CCC[C@H]([NH+]2CCC([NH2+][C@H]3CCc4nccn4C3)CC2)C1 ZINC000371482577 150054036 /nfs/dbraw/zinc/05/40/36/150054036.db2.gz YZVTUKNCEDUYRH-NJAFHUGGSA-N 2 0 316.493 2.831 20 0 DFADRP CCO[C@H]1C[C@@H]([NH2+]CCc2cn3c(n2)CCCC3)C12CCC2 ZINC000371506619 150057202 /nfs/dbraw/zinc/05/72/02/150057202.db2.gz TVJUUGDSQPVNDN-CVEARBPZSA-N 2 0 303.450 2.699 20 0 DFADRP CCC[C@@H](C(=O)Nc1cccc2c1C[N@@H+](C1CC1)C2)[NH+](C)C ZINC000371550626 150064534 /nfs/dbraw/zinc/06/45/34/150064534.db2.gz CJFXPWQCEUNRHH-KRWDZBQOSA-N 2 0 301.434 2.833 20 0 DFADRP CC(C)[N@@H+]1CCC[C@@H](C[NH2+]C2CCN(c3nccs3)CC2)C1 ZINC000371569941 150066948 /nfs/dbraw/zinc/06/69/48/150066948.db2.gz CKCDPWZIZHUFTD-HNNXBMFYSA-N 2 0 322.522 2.822 20 0 DFADRP CN1CC[NH+](CC2(C)CC[NH+](Cc3ccc(F)cc3)CC2)CC1 ZINC000371779311 150094153 /nfs/dbraw/zinc/09/41/53/150094153.db2.gz YMZMQKRCWDIACL-UHFFFAOYSA-N 2 0 319.468 2.675 20 0 DFADRP C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@@H]1[NH2+]C[C@@]1(C)CCCS1 ZINC000372061002 150130708 /nfs/dbraw/zinc/13/07/08/150130708.db2.gz YQIUZQPPAAWUFD-LTIDMASMSA-N 2 0 312.523 2.751 20 0 DFADRP COc1ccsc1[C@H](C)[NH2+][C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000372112831 150139557 /nfs/dbraw/zinc/13/95/57/150139557.db2.gz LGEPNEAMFVWCIB-UONOGXRCSA-N 2 0 323.506 2.576 20 0 DFADRP O=C(Nc1cccc(C[NH+]2CCCCC2)c1)[C@H]1C[C@@]12CC[NH2+]C2 ZINC000372433014 150172959 /nfs/dbraw/zinc/17/29/59/150172959.db2.gz ZNUOQHUQTCTAKR-IEBWSBKVSA-N 2 0 313.445 2.611 20 0 DFADRP CCCC[N@H+](C)CC1CC[NH+](CCc2ccnn2CC)CC1 ZINC000351609426 286167920 /nfs/dbraw/zinc/16/79/20/286167920.db2.gz ROPSUPRYIMXAIQ-UHFFFAOYSA-N 2 0 306.498 2.889 20 0 DFADRP COC(C[NH2+][C@H](C)c1ccc(-n2ccnc2C)c(F)c1)OC ZINC000372899945 150199040 /nfs/dbraw/zinc/19/90/40/150199040.db2.gz MHUMSFPZDIOYDG-LLVKDONJSA-N 2 0 307.369 2.589 20 0 DFADRP C[C@H]1CN(C/C=C/c2ccccc2)CC[N@@H+]1C1CCN(C)CC1 ZINC000373175876 150241680 /nfs/dbraw/zinc/24/16/80/150241680.db2.gz IWMWECCTRKOCJI-YOCVDRLZSA-N 2 0 313.489 2.800 20 0 DFADRP C[C@H]1C[N@H+](CCCc2ccccc2)CCN1C1CC[NH+](C)CC1 ZINC000374257360 150331154 /nfs/dbraw/zinc/33/11/54/150331154.db2.gz DQNLCCWIZRTAFK-SFHVURJKSA-N 2 0 315.505 2.720 20 0 DFADRP CCn1cc(C[NH+]2CCC3(C[C@H]3C[N@H+](C)C3CC3)CC2)cn1 ZINC000374283006 150335467 /nfs/dbraw/zinc/33/54/67/150335467.db2.gz KPCZHQRCGMTQNB-INIZCTEOSA-N 2 0 302.466 2.599 20 0 DFADRP Cc1ccc(C)c(C[N@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@H]32)c1 ZINC000374431190 150366830 /nfs/dbraw/zinc/36/68/30/150366830.db2.gz WKVUNZDEUYDTTR-IPMKNSEASA-N 2 0 302.462 2.987 20 0 DFADRP C[C@H]([NH2+]C[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1)[C@@H]1CCOC1 ZINC000374526805 150373622 /nfs/dbraw/zinc/37/36/22/150373622.db2.gz LSGSKBOBTXHBCG-KCITZHQASA-N 2 0 302.462 2.912 20 0 DFADRP CC[NH+](CC)CCO[C@H]1CC[N@H+](Cc2cc(OC)ccc2F)C1 ZINC000351686401 286193275 /nfs/dbraw/zinc/19/32/75/286193275.db2.gz RRJPKDIMKCZVDU-KRWDZBQOSA-N 2 0 324.440 2.767 20 0 DFADRP Cc1cccc(C2([NH2+]C[C@H](O)CN(C)C3CC3)CCCC2)c1 ZINC000351714386 286200854 /nfs/dbraw/zinc/20/08/54/286200854.db2.gz CYUORCBIWZBXIZ-SFHVURJKSA-N 2 0 302.462 2.809 20 0 DFADRP CCc1nocc1C[NH+]1CCC(OCC[NH+](CC)CC)CC1 ZINC000351731010 286205074 /nfs/dbraw/zinc/20/50/74/286205074.db2.gz RSZFDHSKQXIYKD-UHFFFAOYSA-N 2 0 309.454 2.560 20 0 DFADRP CCN(CCC[NH+]1CCCC1)C(=O)[C@H](C)[NH+]1[C@@H](C)CC[C@@H]1C ZINC000351779659 286216809 /nfs/dbraw/zinc/21/68/09/286216809.db2.gz CFGOZUWLPKICST-ULQDDVLXSA-N 2 0 309.498 2.582 20 0 DFADRP CCN(CCC[NH+]1CCCC1)C(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC000351781939 286217234 /nfs/dbraw/zinc/21/72/34/286217234.db2.gz IWTBMGWRJLQQFK-SFHVURJKSA-N 2 0 321.509 2.728 20 0 DFADRP C[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]CCc2cnccn2)CC1 ZINC000378504129 150819738 /nfs/dbraw/zinc/81/97/38/150819738.db2.gz BKBBMVYTWJPYOR-QAPCUYQASA-N 2 0 302.466 2.652 20 0 DFADRP CCC[C@H]([NH2+]C(C)C)C(=O)NC[C@@H](c1cccs1)[NH+](C)C ZINC000352143409 286303496 /nfs/dbraw/zinc/30/34/96/286303496.db2.gz ZECBHOCENBHYNQ-KBPBESRZSA-N 2 0 311.495 2.634 20 0 DFADRP CCC[C@@H]([NH2+]C(C)C)C(=O)NC[C@H](c1cccs1)[NH+](C)C ZINC000352143414 286303515 /nfs/dbraw/zinc/30/35/15/286303515.db2.gz ZECBHOCENBHYNQ-ZIAGYGMSSA-N 2 0 311.495 2.634 20 0 DFADRP CCC[C@H]([NH2+]C(C)C)C(=O)NCCCC[N@@H+]1CCC[C@@H](C)C1 ZINC000352173315 286311970 /nfs/dbraw/zinc/31/19/70/286311970.db2.gz ZVXCNPPWVUXLIG-SJORKVTESA-N 2 0 311.514 2.781 20 0 DFADRP C[C@@H]1CCC[C@](CNC(=O)CC[C@H]2CCCC[N@@H+]2C)([NH+](C)C)C1 ZINC000352215472 286319913 /nfs/dbraw/zinc/31/99/13/286319913.db2.gz DUXYFLDPZVHVKI-LMMKCTJWSA-N 2 0 323.525 2.878 20 0 DFADRP Cc1c(F)cccc1NC(=O)CC[N@@H+]1CCCC[C@@H]1CC[NH3+] ZINC000352487242 286386004 /nfs/dbraw/zinc/38/60/04/286386004.db2.gz BOJLPGIPOGUFEA-CQSZACIVSA-N 2 0 307.413 2.666 20 0 DFADRP CC[NH+]1CCN([C@@H](C)C[NH2+]C/C=C\c2ccc(F)c(F)c2)CC1 ZINC000352809468 286473453 /nfs/dbraw/zinc/47/34/53/286473453.db2.gz CANIVIBPTSAVFJ-XVWMLYKFSA-N 2 0 323.431 2.594 20 0 DFADRP Cc1[nH+]ccc(N(C)CC2CC[NH+](C[C@@H](C)O)CC2)c1Cl ZINC000352848818 286484028 /nfs/dbraw/zinc/48/40/28/286484028.db2.gz LTWRPSSDYYLGRE-GFCCVEGCSA-N 2 0 311.857 2.572 20 0 DFADRP C[C@H]([NH2+]C[C@H](O)C[NH+]1CCCCC1)C1CCC(F)(F)CC1 ZINC000353240113 286588164 /nfs/dbraw/zinc/58/81/64/286588164.db2.gz YBUAXFPXCXFXOD-ZFWWWQNUSA-N 2 0 304.425 2.637 20 0 DFADRP CC[NH+](CC)CCC[NH2+][C@@H](C)c1ccccc1-n1ccnn1 ZINC000353434047 286643516 /nfs/dbraw/zinc/64/35/16/286643516.db2.gz ISSBSHBHOJRAGH-HNNXBMFYSA-N 2 0 301.438 2.650 20 0 DFADRP C[C@@H]([NH2+][C@H](CO)C1CCCC1)c1cccc(OCC[NH+](C)C)c1 ZINC000353489792 286661741 /nfs/dbraw/zinc/66/17/41/286661741.db2.gz JYRZATCEKPUJGW-DNVCBOLYSA-N 2 0 320.477 2.829 20 0 DFADRP COc1cccc(OCCC[NH2+][C@@H]2C[C@@H](C)[N@H+](C)C[C@@H]2C)c1 ZINC000246271220 158083421 /nfs/dbraw/zinc/08/34/21/158083421.db2.gz APLAOMZAHAFQLF-HDMKZQKVSA-N 2 0 306.450 2.782 20 0 DFADRP COc1ccc(COCC[NH2+][C@@H]2C[C@H](C)[N@H+](C)C[C@@H]2C)cc1 ZINC000246363686 158089270 /nfs/dbraw/zinc/08/92/70/158089270.db2.gz XQJSLOFJDCDBOI-RLFYNMQTSA-N 2 0 306.450 2.530 20 0 DFADRP CCOC(=O)CCCC[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000246806100 158099267 /nfs/dbraw/zinc/09/92/67/158099267.db2.gz NBVRKNDZOYINQE-RDJZCZTQSA-N 2 0 308.466 2.669 20 0 DFADRP C[C@H]([NH2+]C[C@H]1CC[N@H+](CCc2ccccc2)C1)[C@H]1CCOC1 ZINC000247022679 158114077 /nfs/dbraw/zinc/11/40/77/158114077.db2.gz NADBBPJWJOTMEA-UHOSZYNNSA-N 2 0 302.462 2.566 20 0 DFADRP C[C@@H]1C[C@H](NC[C@H]2CC[NH+](CCc3ccccc3)C2)CC[N@@H+]1C ZINC000247044983 158116635 /nfs/dbraw/zinc/11/66/35/158116635.db2.gz OMKJHVPGSQIKQY-MISYRCLQSA-N 2 0 315.505 2.623 20 0 DFADRP CC[N@@H+]1CC[C@H](NC[C@H](c2cccc(OC)c2)[NH+](C)C)[C@H](C)C1 ZINC000247889639 158152082 /nfs/dbraw/zinc/15/20/82/158152082.db2.gz FBOUMTGUAIKONO-AYOQOUSVSA-N 2 0 319.493 2.618 20 0 DFADRP Cc1ccccc1NC(=O)CC[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000248035590 158159113 /nfs/dbraw/zinc/15/91/13/158159113.db2.gz RLFXKAIIVBLICJ-FUHWJXTLSA-N 2 0 315.461 2.740 20 0 DFADRP OC[C@@H]1CCC[N@@H+]1CCCC[NH2+][C@H](Cc1ccccc1)C1CC1 ZINC000248182119 158165162 /nfs/dbraw/zinc/16/51/62/158165162.db2.gz WPNJMTXFDBFPMM-VQTJNVASSA-N 2 0 316.489 2.834 20 0 DFADRP COCCC[NH2+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000248401879 158172112 /nfs/dbraw/zinc/17/21/12/158172112.db2.gz MGILUHUJROSGMX-GUDVDZBRSA-N 2 0 302.462 2.913 20 0 DFADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@H](C)[C@@H]1CCC[NH+](C2CCC2)C1 ZINC000248409900 158173716 /nfs/dbraw/zinc/17/37/16/158173716.db2.gz XGZBCLCFBUMGGL-JFIYKMOQSA-N 2 0 321.509 2.630 20 0 DFADRP CC[C@H](COC)[NH2+][C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000248420522 158175298 /nfs/dbraw/zinc/17/52/98/158175298.db2.gz XCVPNHCBSZQBKS-WJFTUGDTSA-N 2 0 302.462 2.912 20 0 DFADRP C[C@@H]([NH2+]Cc1ccccc1C[N@@H+]1CC[C@@H](O)C1)C1CCCC1 ZINC000248463185 158178668 /nfs/dbraw/zinc/17/86/68/158178668.db2.gz YSBSZJQPUZGYJH-DNVCBOLYSA-N 2 0 302.462 2.922 20 0 DFADRP C[N@H+](CCN1CC[C@@H]2[C@@H](CCC[NH+]2C)C1)Cc1ccc(F)cc1 ZINC000248543388 158182403 /nfs/dbraw/zinc/18/24/03/158182403.db2.gz DANRBUAGTDNIAP-PKOBYXMFSA-N 2 0 319.468 2.674 20 0 DFADRP C[C@@H](C[C@@H](O)c1ccc(F)cc1)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000248742923 158199479 /nfs/dbraw/zinc/19/94/79/158199479.db2.gz ALQSMHUSKAKZTP-CZLXLUGWSA-N 2 0 306.425 2.853 20 0 DFADRP C[C@@H](O)[C@@](C)(C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C)Cc1ccccc1 ZINC000248755870 158200811 /nfs/dbraw/zinc/20/08/11/158200811.db2.gz CQPBSZMDDBEHBO-MNIJEXPFSA-N 2 0 316.489 2.831 20 0 DFADRP CC[C@]1(C(=O)N2CCC[C@H](C[N@@H+]3CCCC[C@H]3C)C2)CCC[NH2+]1 ZINC000248751193 158200945 /nfs/dbraw/zinc/20/09/45/158200945.db2.gz UAHMMZUYRKDMQG-ZHALLVOQSA-N 2 0 321.509 2.632 20 0 DFADRP C[C@H]1CCCC[C@H]1[NH+]1CCC([NH2+]CCc2ccn(C)n2)CC1 ZINC000355059090 158263331 /nfs/dbraw/zinc/26/33/31/158263331.db2.gz GZXJMDHSGRIKDX-MAUKXSAKSA-N 2 0 304.482 2.595 20 0 DFADRP C[C@@H]([NH2+]CCCc1nc2ccccc2n1C)[C@H]1CCCOC1 ZINC000356853612 158315149 /nfs/dbraw/zinc/31/51/49/158315149.db2.gz SHTAMVSWRNGHTR-CABCVRRESA-N 2 0 301.434 2.911 20 0 DFADRP CC[C@@H](C(=O)N1CCC(CC[N@H+](CC)CC2CC2)CC1)[NH+](C)C ZINC000356892959 158318663 /nfs/dbraw/zinc/31/86/63/158318663.db2.gz KJOQKYBRWFCPAQ-SFHVURJKSA-N 2 0 323.525 2.687 20 0 DFADRP CCC(C)(C)[NH2+][C@H](C)C(=O)N1CC[NH+](C2CCC(C)CC2)CC1 ZINC000357034782 158352342 /nfs/dbraw/zinc/35/23/42/158352342.db2.gz HXBHHBVXEOKSAM-AQFXKWCLSA-N 2 0 323.525 2.876 20 0 DFADRP c1cc(C[NH+]2CCC([C@@H]3CC[NH2+]C3)CC2)n(-c2ccccc2)n1 ZINC000357046133 158355887 /nfs/dbraw/zinc/35/58/87/158355887.db2.gz INOQGCCADXGNBT-QGZVFWFLSA-N 2 0 310.445 2.694 20 0 DFADRP CCn1nc(C[NH+]2CCC([C@H]3CC[NH2+]C3)CC2)c2ccccc21 ZINC000357053430 158357021 /nfs/dbraw/zinc/35/70/21/158357021.db2.gz OTUYNKICTGHGHV-INIZCTEOSA-N 2 0 312.461 2.878 20 0 DFADRP c1csc(-c2ncc(CN3CC[C@H]4C[NH2+]C[C@@H]4C3)s2)c1 ZINC000357053626 158357260 /nfs/dbraw/zinc/35/72/60/158357260.db2.gz PKRHSOCJZPTBEP-NWDGAFQWSA-N 2 0 305.472 2.913 20 0 DFADRP CCn1c2cccc(F)c2nc1C[N@@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000358506318 158383541 /nfs/dbraw/zinc/38/35/41/158383541.db2.gz LYGVLLWZNVFLHZ-UHFFFAOYSA-N 2 0 316.424 2.771 20 0 DFADRP C[C@H](CC[NH2+][C@H]1CCN(C2CC[NH+](C)CC2)C1)c1ccccc1 ZINC000375716547 158854636 /nfs/dbraw/zinc/85/46/36/158854636.db2.gz CKFLSFVZGFBTRO-MJGOQNOKSA-N 2 0 315.505 2.938 20 0 DFADRP C[NH+](C)[C@H](CNC(=O)[C@H]1CCCCCC[C@H]1[NH3+])c1ccccc1 ZINC000430856130 296809459 /nfs/dbraw/zinc/80/94/59/296809459.db2.gz YWJGZPXPOBQQDP-RCCFBDPRSA-N 2 0 317.477 2.703 20 0 DFADRP C[C@@H]([NH3+])C1CC[NH+](Cc2nn(-c3ccccc3)c3c2CCC3)CC1 ZINC000430921067 296812138 /nfs/dbraw/zinc/81/21/38/296812138.db2.gz RMYADJIZSLMETJ-OAHLLOKOSA-N 2 0 324.472 2.920 20 0 DFADRP c1nc(-c2ccncc2)sc1C[NH+]1CCC2(CC[NH2+]C2)CC1 ZINC000430930943 296812666 /nfs/dbraw/zinc/81/26/66/296812666.db2.gz ANNYHTZGRCKEOQ-UHFFFAOYSA-N 2 0 314.458 2.781 20 0 DFADRP Cc1c(F)cccc1NC(=O)CC[NH+]1CCC([C@@H](C)[NH3+])CC1 ZINC000430952161 296814462 /nfs/dbraw/zinc/81/44/62/296814462.db2.gz ORAZELWYPUYYGK-CYBMUJFWSA-N 2 0 307.413 2.522 20 0 DFADRP CSc1ccc(OCC[NH+]2CCC3(CC[NH2+]C3)CC2)cc1 ZINC000431029532 296818679 /nfs/dbraw/zinc/81/86/79/296818679.db2.gz DURRMAOJUOMGEA-UHFFFAOYSA-N 2 0 306.475 2.863 20 0 DFADRP c1csc(-c2cc(C[NH+]3CCC4(CC[NH2+]C4)CC3)no2)c1 ZINC000431021406 296818009 /nfs/dbraw/zinc/81/80/09/296818009.db2.gz IYJBPFFFWYHGMY-UHFFFAOYSA-N 2 0 303.431 2.979 20 0 DFADRP C[C@@H]([NH2+]CCN1CC[N@H+](C)C[C@@H]1c1ccccc1)c1cccnc1 ZINC000370316270 287027858 /nfs/dbraw/zinc/02/78/58/287027858.db2.gz RYRHWVUGENLDCV-YLJYHZDGSA-N 2 0 324.472 2.721 20 0 DFADRP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)[C@@H]2CCc3ccc(F)cc32)CC1 ZINC000177710461 287086589 /nfs/dbraw/zinc/08/65/89/287086589.db2.gz CPOQQFNPUXXMQS-AUUYWEPGSA-N 2 0 320.452 2.838 20 0 DFADRP C[C@@H](O)[C@](C)(C[NH2+][C@H]1C[C@@H](C)[N@H+](C)C[C@H]1C)Cc1ccccc1 ZINC000253354019 287115924 /nfs/dbraw/zinc/11/59/24/287115924.db2.gz XTOPDHHJAMXUAF-QKMNUUQDSA-N 2 0 318.505 2.935 20 0 DFADRP Cc1cccc(CC[C@H](C)[NH2+]CCCN2CC[NH+](C)CC2)c1 ZINC000128953980 196007534 /nfs/dbraw/zinc/00/75/34/196007534.db2.gz WGEAGDSLWAEWAF-SFHVURJKSA-N 2 0 303.494 2.543 20 0 DFADRP CC[N@@H+]1CC[C@H]([NH2+]Cc2cccc(Cn3cccn3)c2)[C@H](C)C1 ZINC000129401268 196044742 /nfs/dbraw/zinc/04/47/42/196044742.db2.gz IPJLUASVDXBBGW-APWZRJJASA-N 2 0 312.461 2.751 20 0 DFADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]Cc1cccc(Cn2cccn2)c1 ZINC000129424578 196047943 /nfs/dbraw/zinc/04/79/43/196047943.db2.gz WUEOXTLZICTLSJ-GPMSIDNRSA-N 2 0 312.461 2.750 20 0 DFADRP CC[NH2+]CC1CC[NH+](Cc2cn3cc(Cl)ccc3n2)CC1 ZINC000129887779 196083150 /nfs/dbraw/zinc/08/31/50/196083150.db2.gz BGEBBERFXJDDLR-UHFFFAOYSA-N 2 0 306.841 2.809 20 0 DFADRP C[N@@H+](Cc1cnn(Cc2ccccc2)c1)CC1CC[NH+](C)CC1 ZINC000131929368 196210589 /nfs/dbraw/zinc/21/05/89/196210589.db2.gz CTBLNTFCDOWHTD-UHFFFAOYSA-N 2 0 312.461 2.705 20 0 DFADRP C[NH+](C)C1CCN(CC[NH2+][C@H]2CC[C@H](c3ccccc3)C2)CC1 ZINC000131987990 196216345 /nfs/dbraw/zinc/21/63/45/196216345.db2.gz LXKXJOHYKFFYIR-OALUTQOASA-N 2 0 315.505 2.938 20 0 DFADRP C[C@H](Cc1ccc(Br)cc1)[NH2+]C[C@@H]1CCC[NH2+]C1 ZINC000132093997 196226207 /nfs/dbraw/zinc/22/62/07/196226207.db2.gz CFQPNFVOIAFCOI-TZMCWYRMSA-N 2 0 311.267 2.969 20 0 DFADRP CC[C@@H]([NH2+]C[C@H](C(C)C)N1CC[NH+](C)CC1)c1ccccc1 ZINC000132336249 196247323 /nfs/dbraw/zinc/24/73/23/196247323.db2.gz NBPJPLGWYYTPLZ-RTBURBONSA-N 2 0 303.494 2.999 20 0 DFADRP C([C@@H]1CCOC1)[NH+]1CCC([NH2+]C2C3CC4CC(C3)CC2C4)CC1 ZINC000132731972 196279250 /nfs/dbraw/zinc/27/92/50/196279250.db2.gz QMUJNLDZMIDBJY-SHNPODPLSA-N 2 0 318.505 2.902 20 0 DFADRP C[C@H](CSC(C)(C)C)[NH2+]C1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000132958392 196299438 /nfs/dbraw/zinc/29/94/38/196299438.db2.gz JKDNDHAYMFYSPT-HUUCEWRRSA-N 2 0 314.539 2.997 20 0 DFADRP COc1ccccc1N1CC[C@@H](C[NH2+][C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC000133261735 196326201 /nfs/dbraw/zinc/32/62/01/196326201.db2.gz RDXPZZADBCRWDS-ULQDDVLXSA-N 2 0 317.477 2.594 20 0 DFADRP C[NH+](C)[C@@H](CC(=O)N[C@H]1CCC[C@@H]([NH+](C)C)C1)c1ccccc1 ZINC000433360433 296909167 /nfs/dbraw/zinc/90/91/67/296909167.db2.gz FZHWRKWGMDLPJN-KSZLIROESA-N 2 0 317.477 2.668 20 0 DFADRP CCC[NH+]1CCC(N(C)Cc2ccnn2-c2cc[nH+]cc2)CC1 ZINC000667534063 543624009 /nfs/dbraw/zinc/62/40/09/543624009.db2.gz LIVUFARLCQTZJP-UHFFFAOYSA-N 2 0 313.449 2.574 20 0 DFADRP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(Cc2cnn3c2CCC3)C1 ZINC000667561239 543630882 /nfs/dbraw/zinc/63/08/82/543630882.db2.gz PRVFFXBSNCBFRL-SJORKVTESA-N 2 0 316.493 2.916 20 0 DFADRP CCc1cccc2cc(CN3CCC([N@H+](C)CCO)CC3)oc21 ZINC000667611452 543640914 /nfs/dbraw/zinc/64/09/14/543640914.db2.gz ORKKBIZZNANQKK-UHFFFAOYSA-N 2 0 316.445 2.884 20 0 DFADRP CCOc1ccc(CN2CCC([N@H+](C)C[C@@H](C)O)CC2)c(C)c1 ZINC000667611481 543641078 /nfs/dbraw/zinc/64/10/78/543641078.db2.gz PTJSRVJYINZBJB-MRXNPFEDSA-N 2 0 320.477 2.671 20 0 DFADRP Cc1cccc2[nH]c(CN3CCC([N@H+](C)CCCO)CC3)cc21 ZINC000667636955 543646846 /nfs/dbraw/zinc/64/68/46/543646846.db2.gz BXFQBIZOVDCALD-UHFFFAOYSA-N 2 0 315.461 2.755 20 0 DFADRP c1ccc(CC[N@@H+]2CC[C@H](C[NH2+][C@@H]3CO[C@H](C4CC4)C3)C2)cc1 ZINC000667835056 543689001 /nfs/dbraw/zinc/68/90/01/543689001.db2.gz HKRMOLYWKIMIKW-HOJAQTOUSA-N 2 0 314.473 2.708 20 0 DFADRP CC(C)C[C@@H](C[NH+]1CCCC1)NC(=O)Nc1cccc(C[NH3+])c1 ZINC000667733609 543669075 /nfs/dbraw/zinc/66/90/75/543669075.db2.gz KNXMTWPNSNPIPH-KRWDZBQOSA-N 2 0 318.465 2.777 20 0 DFADRP CCCn1nccc1C[N@@H+]1CC[C@H](n2cnc3c2CCCC3)C1 ZINC000668013782 543723751 /nfs/dbraw/zinc/72/37/51/543723751.db2.gz HQSJYUNWWFXIDH-HNNXBMFYSA-N 2 0 313.449 2.815 20 0 DFADRP Cc1c(Br)cncc1CN(C)C[C@@H]1CC[N@H+](C)C1 ZINC000668020211 543724889 /nfs/dbraw/zinc/72/48/89/543724889.db2.gz HCTKEXBSBOXLNI-GFCCVEGCSA-N 2 0 312.255 2.536 20 0 DFADRP C[C@@H](NC(=O)C[C@H](c1ccccc1)[NH+](C)C)C1CC[NH+](C)CC1 ZINC000667954993 543710439 /nfs/dbraw/zinc/71/04/39/543710439.db2.gz OHKIISWFTGKPAD-CRAIPNDOSA-N 2 0 317.477 2.526 20 0 DFADRP OC[C@@H]1CCC[N@@H+]1Cc1ccccc1C[NH2+][C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000667962782 543713607 /nfs/dbraw/zinc/71/36/07/543713607.db2.gz ZPTOHBKMNUKPLZ-XFWGSAIBSA-N 2 0 314.473 2.922 20 0 DFADRP CC[N@H+](Cc1cnc(C)n1C)Cc1ccc(C[NH+](C)C)cc1 ZINC000668160952 543754410 /nfs/dbraw/zinc/75/44/10/543754410.db2.gz MDLWGRPMHLJVNZ-UHFFFAOYSA-N 2 0 300.450 2.812 20 0 DFADRP O[C@H]1CC[N@H+](Cc2ccc(C[NH2+][C@@H]3CCC[C@@H]4C[C@@H]43)cc2)C1 ZINC000668489011 543814291 /nfs/dbraw/zinc/81/42/91/543814291.db2.gz JBPZBOJLFPTPRG-YDZRNGNQSA-N 2 0 300.446 2.531 20 0 DFADRP COCC1([NH2+]Cc2ccc(OCC[NH+]3CCCC3)cc2)CCC1 ZINC000671196012 544060071 /nfs/dbraw/zinc/06/00/71/544060071.db2.gz FDCBZHFSRAYFIP-UHFFFAOYSA-N 2 0 318.461 2.820 20 0 DFADRP c1ccc(C[N@@H+]2CC[C@@]3(CC[NH+]([C@@H]4CCCOC4)C3)C2)cc1 ZINC000671723619 544102258 /nfs/dbraw/zinc/10/22/58/544102258.db2.gz PATLCQQXLIKGTR-RTBURBONSA-N 2 0 300.446 2.763 20 0 DFADRP C[C@H]([NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccc2[nH]c(=O)oc2c1 ZINC000671741615 544105561 /nfs/dbraw/zinc/10/55/61/544105561.db2.gz ZSTGEUKHQZKPHW-YUTCNCBUSA-N 2 0 301.390 2.811 20 0 DFADRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@@H](C)c1ccc2[nH]c(=O)oc2c1 ZINC000671750352 544106603 /nfs/dbraw/zinc/10/66/03/544106603.db2.gz SQJDRIMKCUPUQC-GXTWGEPZSA-N 2 0 321.421 2.541 20 0 DFADRP C[NH+]1CCN(CCC[NH2+]CCc2ccc(C(C)(C)C)cc2)CC1 ZINC000290976304 222044288 /nfs/dbraw/zinc/04/42/88/222044288.db2.gz YDDIJQWBXNNPRU-UHFFFAOYSA-N 2 0 317.521 2.754 20 0 DFADRP CSC1(C[NH2+]Cc2ccncc2OCCC[NH+](C)C)CCC1 ZINC000291455263 222399969 /nfs/dbraw/zinc/39/99/69/222399969.db2.gz CTPUIYHWAPTZRB-UHFFFAOYSA-N 2 0 323.506 2.787 20 0 DFADRP C[C@@H](C(=O)Nc1ccc(C[N@@H+]2CCCC[C@H]2C)cc1)[NH+](C)C ZINC000674245300 544225904 /nfs/dbraw/zinc/22/59/04/544225904.db2.gz JXIYHXJQAOHZIX-CABCVRRESA-N 2 0 303.450 2.950 20 0 DFADRP C[C@@H](C(=O)NC[C@H](c1cccs1)[NH+]1CCC(C)CC1)[NH+](C)C ZINC000674243885 544226074 /nfs/dbraw/zinc/22/60/74/544226074.db2.gz YBFZTJVHWUBSDH-LSDHHAIUSA-N 2 0 323.506 2.587 20 0 DFADRP C[C@@H](C(=O)NCc1cccc(C[NH+]2CCCCCC2)c1)[NH+](C)C ZINC000674246169 544226529 /nfs/dbraw/zinc/22/65/29/544226529.db2.gz GAYYVLPLOUXUOJ-INIZCTEOSA-N 2 0 317.477 2.629 20 0 DFADRP CC[C@@H]1C[N@@H+]2CCCC[C@@H]2CN1C(=O)[C@H](C)[NH+]1CCCCCC1 ZINC000674351999 544234179 /nfs/dbraw/zinc/23/41/79/544234179.db2.gz GDDVCWWTNQCAME-RCCFBDPRSA-N 2 0 321.509 2.726 20 0 DFADRP CC[NH+](CC)Cc1ccc(C(=O)N[C@@H]2C[N@H+](CC)C[C@@H]2C)cc1 ZINC000674824592 544264367 /nfs/dbraw/zinc/26/43/67/544264367.db2.gz AJSWOOQQHZPZGY-MAUKXSAKSA-N 2 0 317.477 2.598 20 0 DFADRP CCC(=O)Nc1cccc(C[NH2+][C@@H](C)C2CC[NH+](C)CC2)c1 ZINC000675752374 544333596 /nfs/dbraw/zinc/33/35/96/544333596.db2.gz QJZSWUIDHNONQU-AWEZNQCLSA-N 2 0 303.450 2.855 20 0 DFADRP C[C@H]([NH2+][C@@H]1CCC[C@@H](O)C1)c1cccc(OCC[NH+](C)C)c1 ZINC000675766217 544334635 /nfs/dbraw/zinc/33/46/35/544334635.db2.gz FFNIHHJTETZGJJ-USXIJHARSA-N 2 0 306.450 2.581 20 0 DFADRP C[C@@H]1CN(C2CC2)C[C@H]1[NH2+][C@@H](Cn1cccn1)c1ccccc1 ZINC000675899411 544342857 /nfs/dbraw/zinc/34/28/57/544342857.db2.gz GPEUPAWBRAYGQO-LZQZEXGQSA-N 2 0 310.445 2.697 20 0 DFADRP CC[N@H+](CC(=O)N1CCC(C[NH+]2CCCCCC2)CC1)C1CC1 ZINC000676840707 544409459 /nfs/dbraw/zinc/40/94/59/544409459.db2.gz GLASADBXEWZSNX-UHFFFAOYSA-N 2 0 321.509 2.585 20 0 DFADRP Cc1nc([C@H](C)[NH2+][C@H]2CCN(C3CC[NH+](C)CC3)C2)c(C)s1 ZINC000676489005 544379402 /nfs/dbraw/zinc/37/94/02/544379402.db2.gz GUSVFLPHEAMKQT-WFASDCNBSA-N 2 0 322.522 2.579 20 0 DFADRP C[NH+]1CCN(C(C)(C)C[NH2+][C@H]2CCc3c2c(F)ccc3F)CC1 ZINC000677128864 544438673 /nfs/dbraw/zinc/43/86/73/544438673.db2.gz AJBPSDPFPCYVHH-INIZCTEOSA-N 2 0 323.431 2.568 20 0 DFADRP O[C@@H](C[NH2+]C1CCN(c2cc[nH+]cc2)CC1)c1ccc(F)cc1 ZINC000298156905 228386886 /nfs/dbraw/zinc/38/68/86/228386886.db2.gz SBNBGXHCSQYHLX-SFHVURJKSA-N 2 0 315.392 2.513 20 0 DFADRP C[NH+]1CCN(C(C)(C)C[NH2+][C@@H]2CCc3ccc(Cl)cc32)CC1 ZINC000677846709 544550998 /nfs/dbraw/zinc/55/09/98/544550998.db2.gz SYWXDDXUDTZJAG-QGZVFWFLSA-N 2 0 321.896 2.943 20 0 DFADRP c1ccc2c(c1)n[nH]c2C[NH2+]CC1CCN(c2cc[nH+]cc2)CC1 ZINC000678500678 544684438 /nfs/dbraw/zinc/68/44/38/544684438.db2.gz VOHHQBVFTPQIPG-UHFFFAOYSA-N 2 0 321.428 2.964 20 0 DFADRP C[C@H]1C[C@@H]([NH2+]CCCc2nc3ccccc3n2C)CC[N@@H+]1C ZINC000678592355 544698311 /nfs/dbraw/zinc/69/83/11/544698311.db2.gz QNGMZLYEGQGVMB-GJZGRUSLSA-N 2 0 300.450 2.578 20 0 DFADRP C[C@@H]1C[C@H]([NH2+]CCCc2nc3ccccc3n2C)CC[N@@H+]1C ZINC000678592358 544698706 /nfs/dbraw/zinc/69/87/06/544698706.db2.gz QNGMZLYEGQGVMB-HUUCEWRRSA-N 2 0 300.450 2.578 20 0 DFADRP C[C@H]([NH2+]CC[C@H]1COc2ccccc2O1)C1CC[NH+](C)CC1 ZINC000678598439 544699252 /nfs/dbraw/zinc/69/92/52/544699252.db2.gz IHAMHFZLSXBFES-HOCLYGCPSA-N 2 0 304.434 2.536 20 0 DFADRP Cc1noc(C2CCC([NH2+][C@H](C)C3CC[NH+](C)CC3)CC2)n1 ZINC000678596465 544699284 /nfs/dbraw/zinc/69/92/84/544699284.db2.gz VGSCEFZGPUMVEO-UWTIGNOOSA-N 2 0 306.454 2.724 20 0 DFADRP Cc1cc(C[NH2+][C@H](C)c2ccc(OCC[NH+](C)C)cc2)ncn1 ZINC000678604206 544701177 /nfs/dbraw/zinc/70/11/77/544701177.db2.gz AJNVYXTUCMAUPM-OAHLLOKOSA-N 2 0 314.433 2.576 20 0 DFADRP CCC[NH+]1CCC([NH2+]CCNc2cc(OC)cc(OC)c2)CC1 ZINC000678774173 544718763 /nfs/dbraw/zinc/71/87/63/544718763.db2.gz FOPGAUJTRZGFGE-UHFFFAOYSA-N 2 0 321.465 2.580 20 0 DFADRP C[C@H]1CCc2ccccc2[C@H]1[NH2+]CCN1CCC([NH+](C)C)CC1 ZINC000678771358 544719216 /nfs/dbraw/zinc/71/92/16/544719216.db2.gz RJWZLSQZFJISIF-JXFKEZNVSA-N 2 0 315.505 2.926 20 0 DFADRP CCN1C[C@H]([NH2+][C@H](C)c2ccc(OCC[NH+](C)C)cc2)[C@@H](C)C1 ZINC000679075294 544780126 /nfs/dbraw/zinc/78/01/26/544780126.db2.gz IIGAJHWFYFHXSX-FCEWJHQRSA-N 2 0 319.493 2.618 20 0 DFADRP CCCOc1ccc(C[N@H+](C)CCCN2CC[NH+](C)CC2)cc1 ZINC000679318897 544832112 /nfs/dbraw/zinc/83/21/12/544832112.db2.gz KAZSZEKVNYRMSJ-UHFFFAOYSA-N 2 0 319.493 2.545 20 0 DFADRP CO[C@@H]1CCC[N@H+](Cc2ccc(OCC[NH+](C)C)cc2)CC1 ZINC000680004034 544942051 /nfs/dbraw/zinc/94/20/51/544942051.db2.gz VSILNMXDBNOGJV-QGZVFWFLSA-N 2 0 306.450 2.628 20 0 DFADRP CC[N@@H+]1CC[C@H]([NH2+][C@@H]2CCc3cc(OC)ccc3C2)[C@H](C)C1 ZINC000680352648 544996483 /nfs/dbraw/zinc/99/64/83/544996483.db2.gz OKSSEMZTLHFRED-BJZITVGISA-N 2 0 302.462 2.872 20 0 DFADRP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+][C@@](C)(CO)c1ccccc1 ZINC000680121052 544961582 /nfs/dbraw/zinc/96/15/82/544961582.db2.gz PHDHDPQDNUNJTL-IBGZPJMESA-N 2 0 322.412 2.573 20 0 DFADRP C[C@@H]([NH2+]CCCc1cnn(C)c1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000680401422 545004557 /nfs/dbraw/zinc/00/45/57/545004557.db2.gz ZCVLUJUAJVNOTC-NVXWUHKLSA-N 2 0 304.482 2.595 20 0 DFADRP CCc1nc(C)c([C@@H](C)[NH2+]C[C@@H](C)N2CC[NH+](CC)CC2)s1 ZINC000155567897 425920632 /nfs/dbraw/zinc/92/06/32/425920632.db2.gz AGFMZQNENUCZDG-ZIAGYGMSSA-N 2 0 324.538 2.691 20 0 DFADRP CC[C@H]([NH2+]C[C@H](C)N1CC[NH+](CC)CC1)c1ccc(OC)cc1 ZINC000155636876 425922882 /nfs/dbraw/zinc/92/28/82/425922882.db2.gz ARHHFJLIBMJQJF-LPHOPBHVSA-N 2 0 319.493 2.762 20 0 DFADRP CC[C@@H]([NH2+]C[C@@H](C)N1CC[NH+](CC)CC1)c1ccccc1OC ZINC000155723018 425925516 /nfs/dbraw/zinc/92/55/16/425925516.db2.gz NIVGDDMGGDCQRI-SJLPKXTDSA-N 2 0 319.493 2.762 20 0 DFADRP C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)c1cccc(C[NH+](C)C)c1 ZINC000155921467 425929790 /nfs/dbraw/zinc/92/97/90/425929790.db2.gz GAFYSYDFSYTJDD-HZPDHXFCSA-N 2 0 317.477 2.598 20 0 DFADRP CCCC[NH+]1CCC(NC(=O)c2cccc(C[NH+](C)C)c2)CC1 ZINC000155989375 425931383 /nfs/dbraw/zinc/93/13/83/425931383.db2.gz GOAAZSHCLDQVID-UHFFFAOYSA-N 2 0 317.477 2.743 20 0 DFADRP C[C@@H]1CCCC[N@@H+]1CCC1CC[NH+](CCC2OCCO2)CC1 ZINC000124682290 425933356 /nfs/dbraw/zinc/93/33/56/425933356.db2.gz HVDPCKJABJUGSU-MRXNPFEDSA-N 2 0 310.482 2.726 20 0 DFADRP Cc1ccc(CC[NH+]2CCN(C[C@@H]3CCCC[N@H+]3C)CC2)cc1 ZINC000124699891 425933732 /nfs/dbraw/zinc/93/37/32/425933732.db2.gz WQCRUGPJLDGHAZ-FQEVSTJZSA-N 2 0 315.505 2.639 20 0 DFADRP Cc1cc(N2CC[N@@H+](C[C@@H](C)O)[C@H](C)C2)c2cc(F)ccc2[nH+]1 ZINC000124693759 425932836 /nfs/dbraw/zinc/93/28/36/425932836.db2.gz VPFSPQJUTORQNF-ZIAGYGMSSA-N 2 0 317.408 2.574 20 0 DFADRP C[C@H](C[NH2+][C@H](C)c1ccccc1Cl)CN1CC[NH+](C)CC1 ZINC000177294155 267636423 /nfs/dbraw/zinc/63/64/23/267636423.db2.gz OUWHQISJWYANMP-HUUCEWRRSA-N 2 0 309.885 2.874 20 0 DFADRP C[C@H]([NH2+][C@@H]1CCCOCC1)c1cccc(OCC[NH+](C)C)c1 ZINC000183350100 267752083 /nfs/dbraw/zinc/75/20/83/267752083.db2.gz NHPXMXANJKGGDH-DOTOQJQBSA-N 2 0 306.450 2.847 20 0 DFADRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+][C@H](C)c1ccc2c(c1)CCC2 ZINC000186605066 267823538 /nfs/dbraw/zinc/82/35/38/267823538.db2.gz IZCJZCBENVZBEO-IAGOWNOFSA-N 2 0 315.505 2.852 20 0 DFADRP CC[NH+](CC)Cc1ccc(C(=O)NC[C@H](C)[NH+](CC)CC)o1 ZINC000042481375 425853671 /nfs/dbraw/zinc/85/36/71/425853671.db2.gz JKALCZSZNUTELN-AWEZNQCLSA-N 2 0 309.454 2.582 20 0 DFADRP C[N@@H+]1CCC[C@@H](C[NH2+]Cc2cc(Br)cs2)C1 ZINC000044533889 425856911 /nfs/dbraw/zinc/85/69/11/425856911.db2.gz SFLGFLZBZCAEDO-JTQLQIEISA-N 2 0 303.269 2.942 20 0 DFADRP CC[NH+]1CCC(C[NH2+]Cc2ccc(Br)o2)CC1 ZINC000044517408 425856923 /nfs/dbraw/zinc/85/69/23/425856923.db2.gz XIIYWZGDXVOZID-UHFFFAOYSA-N 2 0 301.228 2.864 20 0 DFADRP COC(=O)C1CCC([NH2+]CCC[N@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC000192439368 268037032 /nfs/dbraw/zinc/03/70/32/268037032.db2.gz GYUDQNSXQXJWAV-RYTJFDOTSA-N 2 0 310.482 2.676 20 0 DFADRP C[C@H]([NH2+]CCO[C@@H]1CCCCO1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000193117798 268060725 /nfs/dbraw/zinc/06/07/25/268060725.db2.gz PUPZGXHCTZFKON-XYJFISCASA-N 2 0 310.482 2.772 20 0 DFADRP CCO[C@H](CC[NH+](C)C)C[NH2+]Cc1nc(-c2ccccc2)c[nH]1 ZINC000194358142 268099895 /nfs/dbraw/zinc/09/98/95/268099895.db2.gz LVCVJMXJKJRRSS-MRXNPFEDSA-N 2 0 316.449 2.523 20 0 DFADRP CCC[NH+]1CCC([NH2+]CC[C@@H](C)NC(=O)OC(C)(C)C)CC1 ZINC000223812148 268141977 /nfs/dbraw/zinc/14/19/77/268141977.db2.gz QMKLWWMITLYZPC-CQSZACIVSA-N 2 0 313.486 2.754 20 0 DFADRP CC[N@H+](Cc1ccc(C(=O)NC[C@H](C)C[NH2+]C)cc1)C(C)C ZINC000236923585 268152235 /nfs/dbraw/zinc/15/22/35/268152235.db2.gz RWQSCGIOUKCCSG-OAHLLOKOSA-N 2 0 305.466 2.502 20 0 DFADRP C[NH+](C)[C@H](CNC(=O)[C@@H]1CCCCCC[C@@H]1[NH3+])c1ccccc1 ZINC000237194700 268154911 /nfs/dbraw/zinc/15/49/11/268154911.db2.gz YWJGZPXPOBQQDP-FGTMMUONSA-N 2 0 317.477 2.703 20 0 DFADRP C[C@@H](CC(N)=O)[NH2+]Cc1ccc(C[N@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000267258832 268180241 /nfs/dbraw/zinc/18/02/41/268180241.db2.gz PUBRSUCDUCTRME-XHSDSOJGSA-N 2 0 317.477 2.518 20 0 DFADRP COc1cccc(N2CC[C@H]([NH2+][C@@H]3C[C@@H](C)[N@H+](C)C[C@H]3C)C2)c1 ZINC000268867560 268185668 /nfs/dbraw/zinc/18/56/68/268185668.db2.gz TUYLKPJCRZLQJU-OAFZBRQQSA-N 2 0 317.477 2.592 20 0 DFADRP CCN(CC)C(=O)[C@H](C)[NH+]1CCC(C[NH+]2CCCCCC2)CC1 ZINC000048565238 425875869 /nfs/dbraw/zinc/87/58/69/425875869.db2.gz VHBHUPITRXVEBY-KRWDZBQOSA-N 2 0 323.525 2.831 20 0 DFADRP CC[NH+]1CCC(C[NH2+]CC(C)(C)NC(=O)OC(C)(C)C)CC1 ZINC000309872956 268336614 /nfs/dbraw/zinc/33/66/14/268336614.db2.gz RWYAHQGOXCNABW-UHFFFAOYSA-N 2 0 313.486 2.611 20 0 DFADRP Cn1cnc(CC[NH2+]Cc2cc(F)cc(C(F)(F)F)c2)c1 ZINC000313302468 268339525 /nfs/dbraw/zinc/33/95/25/268339525.db2.gz PWAAWJFXOZOWRV-UHFFFAOYSA-N 2 0 301.287 2.910 20 0 DFADRP C[C@@H](c1ccc(OC(F)(F)F)cc1)N1CCCO[C@H](C[NH3+])C1 ZINC000313361460 268339842 /nfs/dbraw/zinc/33/98/42/268339842.db2.gz UJMMYTGJPKKXMB-SMDDNHRTSA-N 2 0 318.339 2.696 20 0 DFADRP C[C@@H]1CN(Cc2csc(-c3ccccn3)n2)C[C@@]1(C)C[NH3+] ZINC000313879860 268340840 /nfs/dbraw/zinc/34/08/40/268340840.db2.gz BQEUHTZUDUDVHJ-MLGOLLRUSA-N 2 0 302.447 2.622 20 0 DFADRP c1csc(-c2cc(C[N@H+]3CC[C@H]4C[NH2+]C[C@H]4CC3)no2)c1 ZINC000314992237 268342461 /nfs/dbraw/zinc/34/24/61/268342461.db2.gz VORHWQLLAOKYKP-BETUJISGSA-N 2 0 303.431 2.835 20 0 DFADRP CC(C)[C@@H]1CCC[N@H+](C[C@H](O)[C@@H]([NH3+])Cc2ccccc2)CC1 ZINC000316063232 268344810 /nfs/dbraw/zinc/34/48/10/268344810.db2.gz YVMKCWPCEYMTEW-QYZOEREBSA-N 2 0 304.478 2.675 20 0 DFADRP c1ccc2c(c1)CCN2CCC[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000321004983 268348526 /nfs/dbraw/zinc/34/85/26/268348526.db2.gz RDXMDBFMWFKFJL-IPMKNSEASA-N 2 0 313.489 2.950 20 0 DFADRP C[C@@H]1C[C@@H](C[NH2+]C2(c3noc(C4CC4)n3)CCCC2)CC[NH2+]1 ZINC000333202453 268382395 /nfs/dbraw/zinc/38/23/95/268382395.db2.gz YGNWSKUVACMLNV-OLZOCXBDSA-N 2 0 304.438 2.694 20 0 DFADRP C[C@H]([NH3+])[C@H]1COCC[C@H]1NCC1([NH+]2CCCCC2)CCCCC1 ZINC000333299882 268390634 /nfs/dbraw/zinc/39/06/34/268390634.db2.gz PWUIOZBBUMYRAB-RCCFBDPRSA-N 2 0 323.525 2.517 20 0 DFADRP C[C@H]1CCC[N@H+](CC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)CC1 ZINC000157877616 425938726 /nfs/dbraw/zinc/93/87/26/425938726.db2.gz HCCWLAYELHOBGS-WMZOPIPTSA-N 2 0 317.477 2.528 20 0 DFADRP CC[NH+]1CCN([C@H]2CC[N@H+](Cc3cc(C)ccc3C)C2)CC1 ZINC000107368973 425989878 /nfs/dbraw/zinc/98/98/78/425989878.db2.gz DOBWSHUJPHCBNA-IBGZPJMESA-N 2 0 301.478 2.515 20 0 DFADRP COc1cc2c(cc1F)[nH+]ccc2N1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000333884411 268420790 /nfs/dbraw/zinc/42/07/90/268420790.db2.gz FLIKRYWWGYVFKG-VHRBIJSZSA-N 2 0 301.365 2.556 20 0 DFADRP CC1(C)Cc2cc(C[NH2+]C[C@H]3CC[N@@H+](C4CC4)C3)ccc2O1 ZINC000103340242 425943696 /nfs/dbraw/zinc/94/36/96/425943696.db2.gz DTIWNRPHYVGICL-OAHLLOKOSA-N 2 0 300.446 2.974 20 0 DFADRP CC[C@H]1CCCCN1C(=O)[C@H](C)N1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000158755356 425946882 /nfs/dbraw/zinc/94/68/82/425946882.db2.gz ZWEVVUCCPNSOPE-XWTMOSNGSA-N 2 0 321.509 2.582 20 0 DFADRP COCCOCC[NH+]1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000158839773 425948438 /nfs/dbraw/zinc/94/84/38/425948438.db2.gz UDDGHXAMQMLDCD-KRWDZBQOSA-N 2 0 312.498 2.626 20 0 DFADRP CN(CC[NH+]1CCC(CC[NH+](C)C)CC1)Cc1ccc(F)cc1 ZINC000158815150 425949017 /nfs/dbraw/zinc/94/90/17/425949017.db2.gz SPLADSNWLLSSNO-UHFFFAOYSA-N 2 0 321.484 2.921 20 0 DFADRP CCOc1ccc(C[NH2+]CC2(C)CC[NH+](C)CC2)cc1OC ZINC000336866421 268446287 /nfs/dbraw/zinc/44/62/87/268446287.db2.gz WJXZAKIPUKVISY-UHFFFAOYSA-N 2 0 306.450 2.915 20 0 DFADRP CCOC(=O)CC[NH+]1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000158969275 425951117 /nfs/dbraw/zinc/95/11/17/425951117.db2.gz FDHAUIRAVNVYIB-INIZCTEOSA-N 2 0 310.482 2.916 20 0 DFADRP CC[NH+](CC)[C@@H](CNC(=O)[C@@H]1CCCC[N@@H+]1CC)c1ccco1 ZINC000104149209 425959804 /nfs/dbraw/zinc/95/98/04/425959804.db2.gz OFRUUQQGPUFCAG-HOTGVXAUSA-N 2 0 321.465 2.653 20 0 DFADRP CC[N@@H+]1CC[C@@H]([NH2+]CCCOCCc2ccccc2)[C@H](C)C1 ZINC000125302064 425964717 /nfs/dbraw/zinc/96/47/17/425964717.db2.gz FRCYEXGQSSQNTE-IEBWSBKVSA-N 2 0 304.478 2.956 20 0 DFADRP C[C@H]([NH3+])[C@@H]1CCC[N@H+](CCC(=O)Nc2cccc(Cl)c2)C1 ZINC000070174485 425968629 /nfs/dbraw/zinc/96/86/29/425968629.db2.gz YRIHCGOCFSUHCK-QWHCGFSZSA-N 2 0 309.841 2.728 20 0 DFADRP CC(C)Oc1ccc([C@@H](O)C[NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)cc1 ZINC000125366222 425969024 /nfs/dbraw/zinc/96/90/24/425969024.db2.gz FATWSBOYLLBNSH-LESCRADOSA-N 2 0 306.450 2.580 20 0 DFADRP C[C@@H]([NH2+]CC1CC[NH+](Cc2cccs2)CC1)[C@@H]1CCOC1 ZINC000125457506 425972830 /nfs/dbraw/zinc/97/28/30/425972830.db2.gz NXUSYHPXGNKQCF-GDBMZVCRSA-N 2 0 308.491 2.975 20 0 DFADRP COc1ccnc(C[N@@H+]2CC[C@H](CNc3cccc(C)[nH+]3)C2)c1 ZINC000106860447 425976471 /nfs/dbraw/zinc/97/64/71/425976471.db2.gz CFPIONDMIYXNJB-OAHLLOKOSA-N 2 0 312.417 2.728 20 0 DFADRP CC(=O)NC1CCC([NH2+]CC2CC[NH+](CCC(C)C)CC2)CC1 ZINC000161596320 426030748 /nfs/dbraw/zinc/03/07/48/426030748.db2.gz AWOZNHZDHUPWBD-UHFFFAOYSA-N 2 0 323.525 2.781 20 0 DFADRP c1ccc(C[NH+]2CCC(N[C@H]3CC[N@@H+]4CCC[C@@H]4C3)CC2)cc1 ZINC000126669172 426031155 /nfs/dbraw/zinc/03/11/55/426031155.db2.gz ZBGNIQPCRAAUQE-VQTJNVASSA-N 2 0 313.489 2.867 20 0 DFADRP COCC[C@@H]1CCC[C@@H]1[NH2+]C1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000337468895 268499089 /nfs/dbraw/zinc/49/90/89/268499089.db2.gz MTTBAQUGQVNAME-WNHJNPCNSA-N 2 0 324.509 2.549 20 0 DFADRP CCC[C@H](C(=O)NCC[C@H](C)[N@H+](C)Cc1ccccc1)[NH+](C)C ZINC000126863506 426039307 /nfs/dbraw/zinc/03/93/07/426039307.db2.gz XZNVIYLWOIYTDO-FUHWJXTLSA-N 2 0 319.493 2.744 20 0 DFADRP O=C1CCCCN1CC1CC[NH+](CCC[NH+]2CCCCC2)CC1 ZINC000161838307 426041821 /nfs/dbraw/zinc/04/18/21/426041821.db2.gz XPFHSJFJCYLFBA-UHFFFAOYSA-N 2 0 321.509 2.587 20 0 DFADRP CC[N@@H+]1CC[C@H]([NH2+]Cc2ccc(NCCOC)cc2)[C@H](C)C1 ZINC000127060206 426049536 /nfs/dbraw/zinc/04/95/36/426049536.db2.gz JRVZFCZSEWIVFF-QAPCUYQASA-N 2 0 305.466 2.565 20 0 DFADRP CC[N@@H+]1CCCC[C@@H]1CNC(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000111420880 426049837 /nfs/dbraw/zinc/04/98/37/426049837.db2.gz UUGZRJBFTKRDPZ-QGZVFWFLSA-N 2 0 318.465 2.744 20 0 DFADRP CCc1ccc([C@H](CC)[NH2+]C[C@H](C)N2CC[NH+](C)CC2)cc1 ZINC000127525089 426070340 /nfs/dbraw/zinc/07/03/40/426070340.db2.gz HBJFCARMPYEKNY-LPHOPBHVSA-N 2 0 303.494 2.926 20 0 DFADRP Cc1ccc(C)c(C[N@@H+](C)CCN(C)C2CC[NH+](C)CC2)c1 ZINC000126430094 426019543 /nfs/dbraw/zinc/01/95/43/426019543.db2.gz JQZBBCYSHBKIPR-UHFFFAOYSA-N 2 0 303.494 2.761 20 0 DFADRP CC[C@H](C)[C@H](C)[NH2+]CC1CC[NH+](CC(=O)NC(C)(C)C)CC1 ZINC000163495753 426101829 /nfs/dbraw/zinc/10/18/29/426101829.db2.gz ZJTFDSXFGJXJJL-GJZGRUSLSA-N 2 0 311.514 2.637 20 0 DFADRP CCC[NH+](CCC)CCCC(=O)N1C[C@H]2CCC[N@@H+]2C[C@@H]1C ZINC000113222287 426108092 /nfs/dbraw/zinc/10/80/92/426108092.db2.gz VFOJMGDSNIQSSY-DLBZAZTESA-N 2 0 309.498 2.584 20 0 DFADRP CC[C@H]([NH3+])C(=O)NCc1ccccc1C[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000164846875 426118510 /nfs/dbraw/zinc/11/85/10/426118510.db2.gz RFMXQEBOQLZMEN-MPGHIAIKSA-N 2 0 317.477 2.518 20 0 DFADRP C[N@H+](Cc1ccccc1CNC(=O)CCC[NH3+])C1CCCCC1 ZINC000165885529 426124430 /nfs/dbraw/zinc/12/44/30/426124430.db2.gz HBIVWUXFQVIEAV-UHFFFAOYSA-N 2 0 317.477 2.806 20 0 DFADRP CCO[C@@H](CC[NH+](C)C)C[NH2+][C@@H]1CCCOc2ccc(F)cc21 ZINC000165956445 426125069 /nfs/dbraw/zinc/12/50/69/426125069.db2.gz GWVNBKLDYUIPRV-DOTOQJQBSA-N 2 0 324.440 2.986 20 0 DFADRP CCO[C@@H](CC[NH+](C)C)C[NH2+][C@@H]1CCCc2nc(C)sc21 ZINC000166026841 426125824 /nfs/dbraw/zinc/12/58/24/426125824.db2.gz KIAACUJKLOEDPT-UONOGXRCSA-N 2 0 311.495 2.775 20 0 DFADRP C[C@H]([NH2+]C[C@]1(C)CCCO1)c1cccc(OCC[NH+](C)C)c1 ZINC000167044867 426130578 /nfs/dbraw/zinc/13/05/78/426130578.db2.gz DLXBMUOTCOJBCE-YJBOKZPZSA-N 2 0 306.450 2.847 20 0 DFADRP CC[NH+]1CCN([C@H](C)C[NH2+]C[C@H](C)c2ccc(F)cc2)CC1 ZINC000127593612 426074895 /nfs/dbraw/zinc/07/48/95/426074895.db2.gz YUXHWRUXHRAECI-JKSUJKDBSA-N 2 0 307.457 2.545 20 0 DFADRP C[C@@H](C[NH2+][C@@H](C)c1ccc(F)c(Cl)c1)N1CC[NH+](C)CC1 ZINC000127593264 426075259 /nfs/dbraw/zinc/07/52/59/426075259.db2.gz VCVPNXPGPBUDGI-STQMWFEESA-N 2 0 313.848 2.766 20 0 DFADRP C[C@H](C[NH2+][C@@H](C)c1cnc2ccsc2c1)N1CC[NH+](C)CC1 ZINC000127695121 426079933 /nfs/dbraw/zinc/07/99/33/426079933.db2.gz XVEDKFYXIZMLEF-KGLIPLIRSA-N 2 0 318.490 2.583 20 0 DFADRP C[C@@H]([NH2+]C[C@H](C)N1CC[NH+](C)CC1)c1cnc2ccsc2c1 ZINC000127695303 426080478 /nfs/dbraw/zinc/08/04/78/426080478.db2.gz XVEDKFYXIZMLEF-UONOGXRCSA-N 2 0 318.490 2.583 20 0 DFADRP CCCC[C@H](C[NH3+])NC(=O)[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000162891142 426080814 /nfs/dbraw/zinc/08/08/14/426080814.db2.gz KSOFZOUVGOHIMH-MSOLQXFVSA-N 2 0 317.477 2.675 20 0 DFADRP Cc1cc(N2CC[C@@H](N3CCOCC3)C2)c2cc(F)ccc2[nH+]1 ZINC000127727370 426082731 /nfs/dbraw/zinc/08/27/31/426082731.db2.gz PSRDXYANXDDGQZ-OAHLLOKOSA-N 2 0 315.392 2.593 20 0 DFADRP C[C@H]([NH2+]Cc1ccc(N2CC[NH+](C)CC2)nc1)c1ccccc1 ZINC000171644918 426202257 /nfs/dbraw/zinc/20/22/57/426202257.db2.gz XRAWYOUYBSWRGE-INIZCTEOSA-N 2 0 310.445 2.684 20 0 DFADRP C[N@H+](CCCO)C1CCN(c2cc[nH+]c3cc(F)ccc32)CC1 ZINC000115519455 426166404 /nfs/dbraw/zinc/16/64/04/426166404.db2.gz KFCWAJBMSZWLGR-UHFFFAOYSA-N 2 0 317.408 2.657 20 0 DFADRP CC1(C)CC([NH2+]Cc2ccc3c(c2)OCCO3)CC(C)(C)[NH2+]1 ZINC000078409711 426169596 /nfs/dbraw/zinc/16/95/96/426169596.db2.gz OPKIWDSARMCSSC-UHFFFAOYSA-N 2 0 304.434 2.857 20 0 DFADRP COC(=O)CCC[NH+]1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC000078761430 426184869 /nfs/dbraw/zinc/18/48/69/426184869.db2.gz PKJZQRBQZSEDRT-UHFFFAOYSA-N 2 0 318.461 2.784 20 0 DFADRP COC(=O)CCC[N@H+](C)C1CC[NH+](C2CCC(C)CC2)CC1 ZINC000116390531 426189397 /nfs/dbraw/zinc/18/93/97/426189397.db2.gz GLOGDESJUZTBQM-UHFFFAOYSA-N 2 0 310.482 2.915 20 0 DFADRP c1ccc(SCC[NH+]2CCC(C[NH+]3CCOCC3)CC2)cc1 ZINC000117878429 426226269 /nfs/dbraw/zinc/22/62/69/426226269.db2.gz STVHBCORUIUHLN-UHFFFAOYSA-N 2 0 320.502 2.823 20 0 DFADRP CC[NH+]1CCN([C@@H](C)C[NH2+][C@@H](C)c2ccc(F)c(F)c2)CC1 ZINC000173321947 426238438 /nfs/dbraw/zinc/23/84/38/426238438.db2.gz GODFXYNQFSDGLY-KBPBESRZSA-N 2 0 311.420 2.641 20 0 DFADRP C[NH+](C)CCC[NH2+][C@H]1CCCC[C@H]1CNC(=O)OC(C)(C)C ZINC000173337865 426239730 /nfs/dbraw/zinc/23/97/30/426239730.db2.gz NRNWFAPWPWHKMQ-GJZGRUSLSA-N 2 0 313.486 2.611 20 0 DFADRP C[C@H](C(=O)NCCCC[N@@H+]1CCC[C@H](C)C1)[NH+]1CCCCCC1 ZINC000118773588 426244137 /nfs/dbraw/zinc/24/41/37/426244137.db2.gz AWPIJLDLTXAIJP-ZWKOTPCHSA-N 2 0 323.525 2.879 20 0 DFADRP c1cc(CC[N@@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)cc2c1OCC2 ZINC000173873851 426248684 /nfs/dbraw/zinc/24/86/84/426248684.db2.gz IPMXVUFQQFACLU-SFHVURJKSA-N 2 0 314.473 2.972 20 0 DFADRP CC[N@H+](C)C[C@H]1CC[NH+](CCC(=O)Nc2ccc(Cl)cc2)C1 ZINC000173890184 426250425 /nfs/dbraw/zinc/25/04/25/426250425.db2.gz IYQFBJQNZQLMCB-CQSZACIVSA-N 2 0 323.868 2.942 20 0 DFADRP c1cnn(-c2ccc(C[N@H+]3CC[C@@H](C[NH+]4CCCC4)C3)cc2)c1 ZINC000150764790 426260785 /nfs/dbraw/zinc/26/07/85/426260785.db2.gz UKOFTQNMZVVZOW-SFHVURJKSA-N 2 0 310.445 2.790 20 0 DFADRP COc1ccc(C)cc1[C@@H](C)[NH2+]C1CCN(CC[NH+](C)C)CC1 ZINC000150971379 426270134 /nfs/dbraw/zinc/27/01/34/426270134.db2.gz RWYJDSSBTXGCKV-MRXNPFEDSA-N 2 0 319.493 2.680 20 0 DFADRP CC[N@@H+]1CC[C@H]([NH2+]Cc2ccccc2Cn2cccn2)[C@H](C)C1 ZINC000119239766 426270851 /nfs/dbraw/zinc/27/08/51/426270851.db2.gz QKYBMVBSAYOLAH-APWZRJJASA-N 2 0 312.461 2.751 20 0 DFADRP Cc1cccc(C)c1C[NH+]1CCN(CC[NH+]2CCCC2)CC1 ZINC000150991338 426270902 /nfs/dbraw/zinc/27/09/02/426270902.db2.gz SDMMFBFHQLHWCN-UHFFFAOYSA-N 2 0 301.478 2.517 20 0 DFADRP Cc1ccc2c(c1)[C@H]([NH2+]C1CCN(CC[NH+](C)C)CC1)CC2 ZINC000150985795 426271424 /nfs/dbraw/zinc/27/14/24/426271424.db2.gz WQULVJPDRJXIND-LJQANCHMSA-N 2 0 301.478 2.598 20 0 DFADRP CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1ccc(-n2ccnc2)cc1 ZINC000174984647 426272780 /nfs/dbraw/zinc/27/27/80/426272780.db2.gz UWOIIJXWDCUDNI-SJLPKXTDSA-N 2 0 324.428 2.571 20 0 DFADRP [NH3+][C@H](CC(=O)NC1CC[NH+](C2CCCC2)CC1)c1ccccc1 ZINC000119459292 426289547 /nfs/dbraw/zinc/28/95/47/426289547.db2.gz UPVUHKJHGRLJJX-GOSISDBHSA-N 2 0 315.461 2.600 20 0 DFADRP C[N@@H+]1CCC[C@H]1CC[NH+]1CCC(NC(=O)CC2CCCC2)CC1 ZINC000089427797 426290372 /nfs/dbraw/zinc/29/03/72/426290372.db2.gz NNBLYIIAISSFLI-SFHVURJKSA-N 2 0 321.509 2.632 20 0 DFADRP CC[N@@H+]1CC[C@@H]([NH2+]CCc2nc3c(cccc3F)n2C)[C@H](C)C1 ZINC000089673884 426301473 /nfs/dbraw/zinc/30/14/73/426301473.db2.gz YKMWETCHGFRWJE-UKRRQHHQSA-N 2 0 318.440 2.575 20 0 DFADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1[NH2+]CCCN(C)C(=O)OC(C)(C)C ZINC000120258909 426308324 /nfs/dbraw/zinc/30/83/24/426308324.db2.gz RLYXYXLLTWIUJL-QLFBSQMISA-N 2 0 313.486 2.562 20 0 DFADRP C[C@H]1CC[C@@H]([NH2+]CC2CC[NH+](CCO)CC2)c2ccccc21 ZINC000151856296 426315718 /nfs/dbraw/zinc/31/57/18/426315718.db2.gz BXWPBXHEGLZPCJ-HNAYVOBHSA-N 2 0 302.462 2.919 20 0 DFADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1[NH2+]CCCn1cnc2ccccc21 ZINC000121238870 426328048 /nfs/dbraw/zinc/32/80/48/426328048.db2.gz BGMOXBHYTJEGEV-HLLBOEOZSA-N 2 0 300.450 2.745 20 0 DFADRP C[C@@H]1C[N@@H+](CCC2CC[NH+](C/C=C/Cl)CC2)C[C@H](C)O1 ZINC000175797513 426329405 /nfs/dbraw/zinc/32/94/05/426329405.db2.gz WXOZYPUKDCPWJN-JRLNFQKPSA-N 2 0 300.874 2.950 20 0 DFADRP COC[C@H]([NH2+][C@H](C)c1cccc(OCC[NH+](C)C)c1)C1CC1 ZINC000090717386 426331123 /nfs/dbraw/zinc/33/11/23/426331123.db2.gz MEMXKUMRWSVJPH-KDOFPFPSSA-N 2 0 306.450 2.703 20 0 DFADRP C[C@H]1C[C@@H]([NH2+]CCc2nc(C(F)(F)F)cs2)CC[N@@H+]1C ZINC000152193009 426331382 /nfs/dbraw/zinc/33/13/82/426331382.db2.gz GEFFGBOPBIWHRA-UWVGGRQHSA-N 2 0 307.385 2.777 20 0 DFADRP Cc1cc(NC[C@H](O)C[NH+]2CCCCC2)c2cc(F)ccc2[nH+]1 ZINC000121336754 426335498 /nfs/dbraw/zinc/33/54/98/426335498.db2.gz UNILGGUYSVVNAG-HNNXBMFYSA-N 2 0 317.408 2.941 20 0 DFADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+][C@@H](C)c2ccc(OC)cc2)CC1 ZINC000121348069 426336431 /nfs/dbraw/zinc/33/64/31/426336431.db2.gz PDJRBLMIYYQRPT-IRXDYDNUSA-N 2 0 319.493 2.619 20 0 DFADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+][C@H](C)c2cccc(F)c2)CC1 ZINC000121345632 426336617 /nfs/dbraw/zinc/33/66/17/426336617.db2.gz PVRYFHUYJOEKBE-JKSUJKDBSA-N 2 0 307.457 2.750 20 0 DFADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]CC1CCN(c2cc[nH+]cc2)CC1 ZINC000089214959 426282141 /nfs/dbraw/zinc/28/21/41/426282141.db2.gz JQQZQVHHAQELDL-MDZRGWNJSA-N 3 0 316.493 2.616 20 0 DFADRP CC(C)C[C@H](CO)[NH2+][C@H](C)c1cccc(OCC[NH+](C)C)c1 ZINC000151190661 426282840 /nfs/dbraw/zinc/28/28/40/426282840.db2.gz XGUIPOIWQQOIEK-NVXWUHKLSA-N 2 0 308.466 2.685 20 0 DFADRP Cc1cccc2c1[C@@H](C)C[C@@H]2[NH2+]C[C@@H](C)N1CC[NH+](C)CC1 ZINC000153617807 426395491 /nfs/dbraw/zinc/39/54/91/426395491.db2.gz UZLQLJNYXVHKTI-JZXOWHBKSA-N 2 0 301.478 2.769 20 0 DFADRP C[C@H]1C[N@H+](C)CC[C@@H]1[NH2+]CC(C)(C)c1ccc2c(c1)OCO2 ZINC000122821821 426396488 /nfs/dbraw/zinc/39/64/88/426396488.db2.gz KUKMADBRKDTMDX-ZFWWWQNUSA-N 2 0 304.434 2.623 20 0 DFADRP Cc1ccc([C@@H]([NH2+][C@H](C)CN2CC[NH+](C)CC2)C2CC2)cc1 ZINC000091334718 426341455 /nfs/dbraw/zinc/34/14/55/426341455.db2.gz IJCMDRXTODGOEN-VQIMIIECSA-N 2 0 301.478 2.672 20 0 DFADRP CCCCNC(=O)[C@H](C)[NH+]1CCC(CCC[NH+]2CCCC2)CC1 ZINC000121744278 426352765 /nfs/dbraw/zinc/35/27/65/426352765.db2.gz HQEDHXPDXQYCEN-KRWDZBQOSA-N 2 0 323.525 2.879 20 0 DFADRP C[C@@H]([NH2+][C@H](C)[C@@H]1CCCO1)c1ccc(OCC[NH+](C)C)cc1 ZINC000152845916 426357680 /nfs/dbraw/zinc/35/76/80/426357680.db2.gz BIAXOSAJVPJZME-RKVPGOIHSA-N 2 0 306.450 2.845 20 0 DFADRP CC[C@H]([NH2+]Cc1ccccc1OCC[NH+](C)C)[C@@H]1CCOC1 ZINC000122376050 426373071 /nfs/dbraw/zinc/37/30/71/426373071.db2.gz KPVDHOQMYSZBGG-SJORKVTESA-N 2 0 306.450 2.532 20 0 DFADRP C[C@H]1C[C@@H]([NH2+]CC2(c3ccccc3)CCOCC2)CC[N@@H+]1C ZINC000153582651 426393431 /nfs/dbraw/zinc/39/34/31/426393431.db2.gz RQWLUOJBGANLOK-WMZOPIPTSA-N 2 0 302.462 2.807 20 0 DFADRP C[C@@H]1C[C@H](NCc2cccnc2OC2CCCC2)CC[N@@H+]1C ZINC000153875195 426412019 /nfs/dbraw/zinc/41/20/19/426412019.db2.gz JZPFPHCXJLHNST-GDBMZVCRSA-N 2 0 303.450 2.975 20 0 DFADRP C[C@@H]1C[C@H](NC[C@@H](c2ccco2)[NH+]2CCCCC2)CC[N@@H+]1C ZINC000154004373 426419058 /nfs/dbraw/zinc/41/90/58/426419058.db2.gz JLVJKFPHXHJOFG-ZACQAIPSSA-N 2 0 305.466 2.879 20 0 DFADRP Cc1ccc([C@@H](CN[C@H]2CC[N@@H+](C)C[C@@H]2C)[NH+]2CCCC2)o1 ZINC000154030671 426420499 /nfs/dbraw/zinc/42/04/99/426420499.db2.gz MJRKKOJOPLBJTH-BHYGNILZSA-N 2 0 305.466 2.655 20 0 DFADRP C[C@H]([NH2+]Cc1ccc(OCC[NH+](C)C)cc1)[C@]1(C)CCCO1 ZINC000340459213 268977681 /nfs/dbraw/zinc/97/76/81/268977681.db2.gz CNGCEQASDPKQGD-YJBOKZPZSA-N 2 0 306.450 2.674 20 0 DFADRP CCC(CC)C[NH2+]Cc1ccc(C(=O)NCC[NH+](C)C)cc1 ZINC000123383147 426429848 /nfs/dbraw/zinc/42/98/48/426429848.db2.gz GMDDGQJPKIMHAW-UHFFFAOYSA-N 2 0 305.466 2.504 20 0 DFADRP CC[NH+]1CCN(CCC[NH2+][C@@H](C)c2cc(C)ccc2C)CC1 ZINC000154249499 426432996 /nfs/dbraw/zinc/43/29/96/426432996.db2.gz UBNCPCBUHOBOEA-SFHVURJKSA-N 2 0 303.494 2.982 20 0 DFADRP CC[NH+]1CCN(CCC[NH2+][C@H](C)c2cc3c(s2)CCC3)CC1 ZINC000154278456 426433875 /nfs/dbraw/zinc/43/38/75/426433875.db2.gz PWZQBVHYDMRNKP-OAHLLOKOSA-N 2 0 321.534 2.915 20 0 DFADRP CCOc1ccc([C@H](C)[NH2+]CCCN2CC[NH+](CC)CC2)cc1 ZINC000154324509 426435483 /nfs/dbraw/zinc/43/54/83/426435483.db2.gz SOGQFRBRTPVUNC-KRWDZBQOSA-N 2 0 319.493 2.764 20 0 DFADRP CC(C)[C@H](CCO)[NH2+][C@@H](C)c1ccc(OCC[NH+](C)C)cc1 ZINC000123513122 426438339 /nfs/dbraw/zinc/43/83/39/426438339.db2.gz JWLWOLTZGCPRIP-YJBOKZPZSA-N 2 0 308.466 2.685 20 0 DFADRP CCC[NH+](CCC)CCCC(=O)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000341432965 269076681 /nfs/dbraw/zinc/07/66/81/269076681.db2.gz PIIFDRGZYRYENX-SFHVURJKSA-N 2 0 323.525 2.975 20 0 DFADRP C[C@@H]([NH2+]Cc1ccnc(N2CC[NH+](C)CC2)c1)C1CCCCC1 ZINC000177222787 426456661 /nfs/dbraw/zinc/45/66/61/426456661.db2.gz ZONORUYMNKUQHO-MRXNPFEDSA-N 2 0 316.493 2.892 20 0 DFADRP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@H](C)C(C)(C)c1ccccc1 ZINC000154905909 426458436 /nfs/dbraw/zinc/45/84/36/426458436.db2.gz DRIQEEWPENCAQX-IAGOWNOFSA-N 2 0 303.494 2.578 20 0 DFADRP CC(C)[C@@H](C[NH2+][C@H]1CCCc2sccc21)N1CC[NH+](C)CC1 ZINC000102196571 426488061 /nfs/dbraw/zinc/48/80/61/426488061.db2.gz ADRXFWMFEKRZNP-DLBZAZTESA-N 2 0 321.534 2.987 20 0 DFADRP CC(C)[N@H+](C)CC(=O)Nc1ccc(-n2ccnc2)c(Cl)c1 ZINC000101665671 426485877 /nfs/dbraw/zinc/48/58/77/426485877.db2.gz NDEFJQIRMCSNCB-UHFFFAOYSA-N 2 0 306.797 2.804 20 0 DFADRP CC(C)c1nc([C@H](C)[NH2+]CC2CC[NH+](CCO)CC2)cs1 ZINC000186324810 426506123 /nfs/dbraw/zinc/50/61/23/426506123.db2.gz DARODIHPRGIMIB-ZDUSSCGKSA-N 2 0 311.495 2.621 20 0 DFADRP Cc1cnn(CC[NH2+][C@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000272469881 426533902 /nfs/dbraw/zinc/53/39/02/426533902.db2.gz LEFKWKRFIOTKDN-MJGOQNOKSA-N 2 0 312.461 2.692 20 0 DFADRP CCC[NH+]1CCC([NH2+]CCc2nn(C)c3ccccc23)CC1 ZINC000186481044 426535024 /nfs/dbraw/zinc/53/50/24/426535024.db2.gz TWMYXRMWFLFHTE-UHFFFAOYSA-N 2 0 300.450 2.580 20 0 DFADRP Cn1nc(CC[NH2+]C2CC[NH+](C(C)(C)C)CC2)c2ccccc21 ZINC000186487400 426537657 /nfs/dbraw/zinc/53/76/57/426537657.db2.gz HRPQMEKFRLLZMN-UHFFFAOYSA-N 2 0 314.477 2.968 20 0 DFADRP Cc1nccn1CC[NH2+][C@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272485142 426538365 /nfs/dbraw/zinc/53/83/65/426538365.db2.gz MMCKRRFTYYELSL-VQIMIIECSA-N 2 0 312.461 2.692 20 0 DFADRP C/C=C/C[C@@H](CO)[NH2+][C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000186510203 426541292 /nfs/dbraw/zinc/54/12/92/426541292.db2.gz YKPORBWMBCVVTD-SFGXSAEXSA-N 2 0 314.473 2.814 20 0 DFADRP Cc1cccc(CC[C@H](C)[NH2+][C@@H](C)CCN2CC[NH+](C)CC2)c1 ZINC000186570379 426552648 /nfs/dbraw/zinc/55/26/48/426552648.db2.gz WDSKBZVLVRWVEG-OALUTQOASA-N 2 0 317.521 2.932 20 0 DFADRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@H](C)c1sccc1OC ZINC000186189503 426492087 /nfs/dbraw/zinc/49/20/87/426492087.db2.gz NWMDERSHDXUYQS-CHWSQXEVSA-N 2 0 300.468 2.764 20 0 DFADRP CC(C)c1nc([C@@H](C)[NH2+]C2CCN(CC[NH+](C)C)CC2)cs1 ZINC000186236232 426496081 /nfs/dbraw/zinc/49/60/81/426496081.db2.gz VGROADCMVQCMRE-CQSZACIVSA-N 2 0 324.538 2.943 20 0 DFADRP CCCC[NH+]1CCC([NH2+][C@H]2C[C@H](OCC)C23CCOCC3)CC1 ZINC000186293504 426501216 /nfs/dbraw/zinc/50/12/16/426501216.db2.gz BGFNHDMWKIULBI-ROUUACIJSA-N 2 0 324.509 2.815 20 0 DFADRP C[C@H](CCC1CC1)[NH2+]Cc1cccc(C(=O)NCC[NH+](C)C)c1 ZINC000186312376 426501964 /nfs/dbraw/zinc/50/19/64/426501964.db2.gz GUODAPUBDFGRJF-OAHLLOKOSA-N 2 0 317.477 2.646 20 0 DFADRP COc1ccc2c(c1)C[C@H]([NH2+]CC1(C)CC[NH+](C)CC1)CC2 ZINC000272592839 426567699 /nfs/dbraw/zinc/56/76/99/426567699.db2.gz SGRBFESZOFPBOT-QGZVFWFLSA-N 2 0 302.462 2.874 20 0 DFADRP COc1cc(C)c([C@H](C)[NH2+]C[C@@H](C)N2CC[NH+](C)CC2)cc1C ZINC000273142510 426600584 /nfs/dbraw/zinc/60/05/84/426600584.db2.gz FGZIZTWLZJSVAR-SJORKVTESA-N 2 0 319.493 2.599 20 0 DFADRP C[C@H]1CCCC[N@@H+]1CCC1CC[NH+](CCn2cccn2)CC1 ZINC000178388060 426619649 /nfs/dbraw/zinc/61/96/49/426619649.db2.gz YWMKYRJTMIOSHW-KRWDZBQOSA-N 2 0 304.482 2.860 20 0 DFADRP [NH3+]C[C@@H]1CCC[C@H]1[NH2+]CCc1ccc(Br)s1 ZINC000226373060 426620314 /nfs/dbraw/zinc/62/03/14/426620314.db2.gz HPNPMGYHCOGBNM-GXSJLCMTSA-N 2 0 303.269 2.770 20 0 DFADRP Cc1ccc(CC[C@@H](C)[NH2+][C@@H](C)CCN2CC[NH+](C)CC2)cc1 ZINC000186582029 426557359 /nfs/dbraw/zinc/55/73/59/426557359.db2.gz SUCOLFWGSRLHNU-MOPGFXCFSA-N 2 0 317.521 2.932 20 0 DFADRP C[C@@H]([NH2+]CCOCC1CC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272562911 426557595 /nfs/dbraw/zinc/55/75/95/426557595.db2.gz UOUSNFBQMNJWLE-APWZRJJASA-N 2 0 302.462 2.913 20 0 DFADRP O[C@@H](C[NH2+]CC1CCC(C(F)(F)F)CC1)C[NH+]1CCCCC1 ZINC000186603556 426560451 /nfs/dbraw/zinc/56/04/51/426560451.db2.gz CPRYQFBGYNZODW-NRXISQOPSA-N 2 0 322.415 2.792 20 0 DFADRP Cc1ccc(C)c(C[NH+]2CCC(C[NH+]3CCN(C)CC3)CC2)c1 ZINC000265411979 426633146 /nfs/dbraw/zinc/63/31/46/426633146.db2.gz FKTQYASDFHZYKQ-UHFFFAOYSA-N 2 0 315.505 2.763 20 0 DFADRP [NH3+][C@@H]1CCC[C@@H]2CN(Cc3cc(-c4cccs4)on3)C[C@H]21 ZINC000228474672 426633841 /nfs/dbraw/zinc/63/38/41/426633841.db2.gz JKBFBIHOYAKJKK-MRVWCRGKSA-N 2 0 303.431 2.962 20 0 DFADRP C[N@@H+]1CCCC[C@@H]1CCN[C@H](C[S@](C)=O)c1ccccc1 ZINC000273308530 426638831 /nfs/dbraw/zinc/63/88/31/426638831.db2.gz NBBVXALJVHODKM-LZJOCLMNSA-N 2 0 308.491 2.570 20 0 DFADRP CC(C)[C@@H](C[NH2+]C[C@@H](C)N1CC[NH+](C)CC1)c1ccccc1 ZINC000280916556 426686364 /nfs/dbraw/zinc/68/63/64/426686364.db2.gz PKNLBYNYRRVZHQ-IEBWSBKVSA-N 2 0 303.494 2.652 20 0 DFADRP C[C@H]([NH2+]C1CC[NH+](C[C@H]2CCOC2)CC1)C1CCSCC1 ZINC000187224191 426640676 /nfs/dbraw/zinc/64/06/76/426640676.db2.gz JCOHCIOIFIUPHD-LSDHHAIUSA-N 2 0 312.523 2.609 20 0 DFADRP Cc1cc(C[NH+]2CCSCC2)ccc1NC(=O)CC(C)(C)[NH3+] ZINC000178746602 426686408 /nfs/dbraw/zinc/68/64/08/426686408.db2.gz QLTFFFVROTYFCT-UHFFFAOYSA-N 2 0 321.490 2.610 20 0 DFADRP CN(C)[C@]1(C[NH2+]CCCc2ccc3c(c2)CCO3)CCSC1 ZINC000280761063 426649540 /nfs/dbraw/zinc/64/95/40/426649540.db2.gz FKLDAIJJBOGGPZ-SFHVURJKSA-N 2 0 320.502 2.581 20 0 DFADRP COCCOCc1ccc(C[N@H+](C)CC2CC[NH+](C)CC2)cc1 ZINC000289434936 426656875 /nfs/dbraw/zinc/65/68/75/426656875.db2.gz WBWNFJPXQZXJPR-UHFFFAOYSA-N 2 0 320.477 2.623 20 0 DFADRP CC[NH+]1CCN([C@H]2CC[N@H+](Cc3ccc4occc4c3)C2)CC1 ZINC000289436409 426656913 /nfs/dbraw/zinc/65/69/13/426656913.db2.gz WDDITAKKEAWPQP-SFHVURJKSA-N 2 0 313.445 2.645 20 0 DFADRP Cc1nccn1CCN[C@H](C)c1nc(-c2cccc(F)c2)no1 ZINC000273424362 426662097 /nfs/dbraw/zinc/66/20/97/426662097.db2.gz WFTHUKZIAWYUCK-LLVKDONJSA-N 2 0 315.352 2.731 20 0 DFADRP C[NH+](C)Cc1cccc(NC(=O)[C@H](C2CC2)[NH+]2CCCC2)c1 ZINC000273461284 426667781 /nfs/dbraw/zinc/66/77/81/426667781.db2.gz FINQTAVRUYPNGP-KRWDZBQOSA-N 2 0 301.434 2.561 20 0 DFADRP CC(C)[N@H+](C)Cc1cccc(CNC(=O)[C@@]2(C)CCCC[NH2+]2)c1 ZINC000236664315 426672793 /nfs/dbraw/zinc/67/27/93/426672793.db2.gz UZVTYEKBZHRYNV-LJQANCHMSA-N 2 0 317.477 2.675 20 0 DFADRP CCC(CC)(C[NH3+])C(=O)NC[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000236676791 426675092 /nfs/dbraw/zinc/67/50/92/426675092.db2.gz ZOJAIQOLSMQMDJ-KRWDZBQOSA-N 2 0 317.477 2.532 20 0 DFADRP C[C@@H](C(=O)NCCC[NH+]1CCC(C)CC1)[C@@H]([NH3+])c1ccccc1 ZINC000236701629 426679343 /nfs/dbraw/zinc/67/93/43/426679343.db2.gz JNPQVFGYQCRZIA-SJLPKXTDSA-N 2 0 317.477 2.561 20 0 DFADRP C[NH+](C)[C@@H](CNC(=O)C[C@@H]([NH3+])c1ccccc1)c1cccs1 ZINC000237138584 426690354 /nfs/dbraw/zinc/69/03/54/426690354.db2.gz QASMMGJIEUMYMG-CABCVRRESA-N 2 0 317.458 2.557 20 0 DFADRP Cc1nccn1CCCC[N@H+]1C[C@@H](c2ccsc2)[C@H](CO)C1 ZINC000188068775 426719464 /nfs/dbraw/zinc/71/94/64/426719464.db2.gz OIKQMUQZSFRKSE-IRXDYDNUSA-N 2 0 319.474 2.741 20 0 DFADRP C[C@@H](C[NH2+][C@@H]1CCCN(Cc2ccccc2)C1)C[NH+]1CCCC1 ZINC000237442464 426691533 /nfs/dbraw/zinc/69/15/33/426691533.db2.gz AFCQBEKSEJWGIV-AZUAARDMSA-N 2 0 315.505 2.973 20 0 DFADRP C[C@H](C[NH2+][C@@H](C)c1ccc2ccccc2n1)N1CC[NH+](C)CC1 ZINC000178774455 426691658 /nfs/dbraw/zinc/69/16/58/426691658.db2.gz BVRJXRNEVGSJNN-CVEARBPZSA-N 2 0 312.461 2.521 20 0 DFADRP O=C(CCC1CC[NH2+]CC1)N1CCC[C@@H]([NH+]2CCCCCC2)C1 ZINC000237946718 426698996 /nfs/dbraw/zinc/69/89/96/426698996.db2.gz XHIBCHCUXQHOCU-GOSISDBHSA-N 2 0 321.509 2.633 20 0 DFADRP CC(C)[C@H](O)C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000245735918 426767830 /nfs/dbraw/zinc/76/78/30/426767830.db2.gz QUJGJYCYXJYEOA-FCGDIQPGSA-N 2 0 302.462 2.789 20 0 DFADRP COc1cc(CNC[C@H]2CCC[N@@H+](C(C)C)C2)cc(OC)c1O ZINC000290461053 426767901 /nfs/dbraw/zinc/76/79/01/426767901.db2.gz UARFOBHOFORMCC-CQSZACIVSA-N 2 0 322.449 2.619 20 0 DFADRP CC[C@@H](CO)[NH2+][C@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000188667100 426775426 /nfs/dbraw/zinc/77/54/26/426775426.db2.gz JKESBSOVORLJMF-XWSJACJDSA-N 2 0 302.462 2.648 20 0 DFADRP C[C@H]1OCC[C@@H]1[NH2+][C@H]1[C@H](C)C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000245952537 426786936 /nfs/dbraw/zinc/78/69/36/426786936.db2.gz PRLRLUXOSZMLPW-LHHMMCJZSA-N 2 0 302.462 2.910 20 0 DFADRP COc1cccc(CN2CCC[C@H]3C[N@H+](C)CC[C@H]32)c1OC ZINC000290340647 426745823 /nfs/dbraw/zinc/74/58/23/426745823.db2.gz FKPGSFVRAVJYQG-GOEBONIOSA-N 2 0 304.434 2.620 20 0 DFADRP CN(CC[C@H]1CCCC[N@@H+]1C)C[C@H](O)c1cc(F)ccc1F ZINC000266611338 426749954 /nfs/dbraw/zinc/74/99/54/426749954.db2.gz WPOWTERVGHPWKD-PBHICJAKSA-N 2 0 312.404 2.804 20 0 DFADRP CC[NH+](CC)C[C@@H]1CCN(C[C@@H](O)c2c(F)cccc2F)C1 ZINC000266617782 426751535 /nfs/dbraw/zinc/75/15/35/426751535.db2.gz YSDIPTDFGDLUNT-XJKSGUPXSA-N 2 0 312.404 2.662 20 0 DFADRP Cc1nccn1CCCC[N@@H+]1CCC[C@H]1C(=O)OC(C)(C)C ZINC000179448173 426789137 /nfs/dbraw/zinc/78/91/37/426789137.db2.gz VIQAAYCTPWFXIP-HNNXBMFYSA-N 2 0 307.438 2.778 20 0 DFADRP CC(C)CN(C(=O)C[N@@H+]1CC[C@@H](C)[C@H](n2ccnc2)C1)C(C)C ZINC000245582085 426755641 /nfs/dbraw/zinc/75/56/41/426755641.db2.gz JBCUTBWDMYLCAM-IAGOWNOFSA-N 2 0 320.481 2.659 20 0 DFADRP Cc1nccn1CCC[N@@H+](C)Cc1cn(C)nc1-c1ccncc1 ZINC000290404302 426758878 /nfs/dbraw/zinc/75/88/78/426758878.db2.gz JPDRPEVSKQYAAJ-UHFFFAOYSA-N 2 0 324.432 2.509 20 0 DFADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]CC1CCN(CC(F)(F)F)CC1 ZINC000188515173 426760000 /nfs/dbraw/zinc/76/00/00/426760000.db2.gz JDRIIXPNAIYKJF-NFAWXSAZSA-N 2 0 321.431 2.579 20 0 DFADRP C[C@@H](O)[C@@](C)(C[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1)Cc1ccccc1 ZINC000188902109 426797967 /nfs/dbraw/zinc/79/79/67/426797967.db2.gz OXGFUDFMGQIQAQ-ZAWLATJESA-N 2 0 304.478 2.689 20 0 DFADRP CCSc1cccc(C[NH2+][C@H](C)CCN2CC[NH+](C)CC2)c1 ZINC000274602295 426800300 /nfs/dbraw/zinc/80/03/00/426800300.db2.gz QESRREODCNMDSS-MRXNPFEDSA-N 2 0 321.534 2.914 20 0 DFADRP CC(C)(C)OC(=O)C1CCC([NH2+]CCC[NH+]2CCCC2)CC1 ZINC000179542382 426800856 /nfs/dbraw/zinc/80/08/56/426800856.db2.gz BYVPHSLWXDVHLC-UHFFFAOYSA-N 2 0 310.482 2.962 20 0 DFADRP COCC[N@H+](C)CCC[NH2+][C@H]1CC[C@H](Cc2ccccc2)C1 ZINC000189039787 426812825 /nfs/dbraw/zinc/81/28/25/426812825.db2.gz VLKJHRUCGRMXGB-MOPGFXCFSA-N 2 0 304.478 2.956 20 0 DFADRP FC(F)(F)COCCC[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000246408166 426830252 /nfs/dbraw/zinc/83/02/52/426830252.db2.gz BISDXHZKNJSAKO-UKRRQHHQSA-N 2 0 320.399 2.904 20 0 DFADRP Cc1ccc([C@@H]([NH2+]C[C@@H](O)C[NH+]2CCCCC2)C2CC2)cc1 ZINC000180044458 426834204 /nfs/dbraw/zinc/83/42/04/426834204.db2.gz OXDISAYTFKVJJR-RTBURBONSA-N 2 0 302.462 2.883 20 0 DFADRP Cc1ccc([C@H]([NH2+]C[C@H](O)C[NH+]2CCCCC2)C2CC2)cc1 ZINC000180044413 426834287 /nfs/dbraw/zinc/83/42/87/426834287.db2.gz OXDISAYTFKVJJR-OALUTQOASA-N 2 0 302.462 2.883 20 0 DFADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1N[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000246460399 426834568 /nfs/dbraw/zinc/83/45/68/426834568.db2.gz YVZJAPUXWUBQST-JFRXWTBNSA-N 2 0 301.478 2.579 20 0 DFADRP COc1ccc([C@H](C)[NH2+]CC2CC[NH+](C3CC3)CC2)cc1O ZINC000290772378 426835749 /nfs/dbraw/zinc/83/57/49/426835749.db2.gz SISSIZAVQOUJKX-ZDUSSCGKSA-N 2 0 304.434 2.926 20 0 DFADRP C[N@@H+]1CCN(CC[NH2+][C@H](c2cccnc2)C2CCC2)CC1(C)C ZINC000282129027 426836197 /nfs/dbraw/zinc/83/61/97/426836197.db2.gz BHXWRBKZEFRSNA-SFHVURJKSA-N 2 0 316.493 2.538 20 0 DFADRP CC(C)[N@H+](C)Cc1cccc(CNC(=O)[C@@H]2CCC[C@@H]([NH3+])C2)c1 ZINC000246510712 426841412 /nfs/dbraw/zinc/84/14/12/426841412.db2.gz QNPQXRZLTSXLGX-QZTJIDSGSA-N 2 0 317.477 2.661 20 0 DFADRP C[C@@H](CNC(=O)Nc1ccn2ccnc2c1)C[NH+]1CCCCC1 ZINC000290794718 426841756 /nfs/dbraw/zinc/84/17/56/426841756.db2.gz UXVNTQKGLZIYNJ-AWEZNQCLSA-N 2 0 315.421 2.578 20 0 DFADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCC1OCCCO1 ZINC000274836985 426846717 /nfs/dbraw/zinc/84/67/17/426846717.db2.gz NNOPFTOAAJCQEX-SJLPKXTDSA-N 2 0 318.461 2.640 20 0 DFADRP CCO[C@@H](CC[NH+](C)C)C[NH2+]Cc1ccc2nc(C)ccc2c1 ZINC000189376664 426848100 /nfs/dbraw/zinc/84/81/00/426848100.db2.gz AYGIYUPHQJRQJA-SFHVURJKSA-N 2 0 315.461 2.990 20 0 DFADRP Cc1cnccc1C[NH2+]CCc1ccc(OCC[NH+](C)C)cc1 ZINC000295180596 426852494 /nfs/dbraw/zinc/85/24/94/426852494.db2.gz MQDSUSBFLNKOKY-UHFFFAOYSA-N 2 0 313.445 2.663 20 0 DFADRP COc1ccc([C@H](C)[NH2+][C@H](C)CCN2CC[NH+](C)CC2)cc1C ZINC000274579942 426794377 /nfs/dbraw/zinc/79/43/77/426794377.db2.gz CJJFDFQPLVTMNH-SJORKVTESA-N 2 0 319.493 2.680 20 0 DFADRP C[C@@H]1[C@H]([NH2+]Cc2ccc(CO)cc2)CCN1Cc1ccccc1 ZINC000309882118 426918431 /nfs/dbraw/zinc/91/84/31/426918431.db2.gz JWDPIGZETOWHPA-OXQOHEQNSA-N 2 0 310.441 2.932 20 0 DFADRP C[C@H](NC[C@@H]1CCCC[NH2+]1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000309876670 426918749 /nfs/dbraw/zinc/91/87/49/426918749.db2.gz UILHKKVZRMJCFC-UHOSZYNNSA-N 3 0 301.478 2.629 20 0 DFADRP COc1ccc([C@H](C)[NH2+]C[C@@H]2CN(CC(C)C)CCO2)cc1F ZINC000180455095 426861216 /nfs/dbraw/zinc/86/12/16/426861216.db2.gz BNPKMTOBBJZPRK-GOEBONIOSA-N 2 0 324.440 2.842 20 0 DFADRP COc1ccc([C@H](C)[NH2+]C[C@H]2CN(CC(C)C)CCO2)cc1F ZINC000180455117 426862494 /nfs/dbraw/zinc/86/24/94/426862494.db2.gz BNPKMTOBBJZPRK-HOCLYGCPSA-N 2 0 324.440 2.842 20 0 DFADRP Cc1ccc([C@@H]([NH2+]CC2(O)CC[NH+](C)CC2)C2CCC2)cc1 ZINC000275375876 426865067 /nfs/dbraw/zinc/86/50/67/426865067.db2.gz WQBYMWHHVZPGOR-SFHVURJKSA-N 2 0 302.462 2.883 20 0 DFADRP C[C@H](CC(N)=O)[NH2+]CC1(N[C@H](C)c2ccccc2)CCCC1 ZINC000267294999 426866076 /nfs/dbraw/zinc/86/60/76/426866076.db2.gz YZXQLSBMHVMRSO-HUUCEWRRSA-N 2 0 303.450 2.504 20 0 DFADRP CC[N@@H+]1CC[C@H]([NH2+][C@H]2CCN(c3ccccc3OC)C2)[C@@H](C)C1 ZINC000246870404 426875458 /nfs/dbraw/zinc/87/54/58/426875458.db2.gz CZBAVRJXOMXGON-ULQDDVLXSA-N 2 0 317.477 2.594 20 0 DFADRP C[C@@H]1C[C@H]([NH2+]Cc2ccc(OCCC[NH+](C)C)cc2)[C@H](C)O1 ZINC000295243587 426876299 /nfs/dbraw/zinc/87/62/99/426876299.db2.gz SXNOBZJZDISRQT-VKJFTORMSA-N 2 0 306.450 2.673 20 0 DFADRP Cc1cc(N2C[C@H](C)[C@H]([NH+]3CCOCC3)C2)c2ccccc2[nH+]1 ZINC000267569537 426882418 /nfs/dbraw/zinc/88/24/18/426882418.db2.gz WRYSPMDRSZPTQL-IFXJQAMLSA-N 2 0 311.429 2.700 20 0 DFADRP C[C@H]1C[C@H](NC2CC[NH+](C)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000267545899 426882537 /nfs/dbraw/zinc/88/25/37/426882537.db2.gz BLCKTJUHIJCRCQ-QFBILLFUSA-N 2 0 301.478 2.723 20 0 DFADRP CC[C@@H](C(=O)N1CCC(CCC[NH+](CC)CC)CC1)[NH+](C)C ZINC000180757594 426885387 /nfs/dbraw/zinc/88/53/87/426885387.db2.gz MGBQLBBWIHXTBQ-KRWDZBQOSA-N 2 0 311.514 2.687 20 0 DFADRP COc1ccc([C@H](C)[NH2+]CCN2CC[N@H+](C)C(C)(C)C2)cc1F ZINC000282347947 426888572 /nfs/dbraw/zinc/88/85/72/426888572.db2.gz PEALERNJXDWSQA-AWEZNQCLSA-N 2 0 323.456 2.511 20 0 DFADRP CC[NH+]1CCN([C@@H]2CC[N@H+](C[C@H](C)c3ccc(F)cc3)C2)CC1 ZINC000275710860 426901689 /nfs/dbraw/zinc/90/16/89/426901689.db2.gz MCJIDUCRCRHLJV-QFBILLFUSA-N 2 0 319.468 2.641 20 0 DFADRP c1cc(CC[N@@H+]2CCC[C@H]([C@H]3CCC[NH2+]3)C2)cc2c1OCC2 ZINC000316681067 426949773 /nfs/dbraw/zinc/94/97/73/426949773.db2.gz ZAMDQQKWKLLLGW-ZWKOTPCHSA-N 2 0 300.446 2.628 20 0 DFADRP CC[NH+](CC)[C@@H](CNC(=O)C[C@@H]([NH3+])C(C)C)c1ccccc1 ZINC000316752931 426949818 /nfs/dbraw/zinc/94/98/18/426949818.db2.gz FENQYDLVHXCORH-SJORKVTESA-N 2 0 305.466 2.559 20 0 DFADRP CN(C)c1ccncc1C[NH2+][C@H]1CCN(c2ccccc2F)C1 ZINC000291725598 426964125 /nfs/dbraw/zinc/96/41/25/426964125.db2.gz NFOPUBFBZMNSFR-HNNXBMFYSA-N 2 0 314.408 2.655 20 0 DFADRP C[C@@H]1C[C@@H]([NH2+][C@H]2CCN(c3ccccc3F)C2)CN1C1CC1 ZINC000291725469 426965346 /nfs/dbraw/zinc/96/53/46/426965346.db2.gz NEQPJZAQPMBNNW-QLFBSQMISA-N 2 0 303.425 2.619 20 0 DFADRP CC(C)[NH+]1CCN(CCC[N@@H+]2CCc3c(F)cccc3C2)CC1 ZINC000283159928 426966434 /nfs/dbraw/zinc/96/64/34/426966434.db2.gz CVDVSZYPDNHQKM-UHFFFAOYSA-N 2 0 319.468 2.600 20 0 DFADRP C[C@@H]1C[NH+](CCCC[NH2+][C@@H]2[C@@H]3CCCO[C@@H]3C2(C)C)C[C@@H](C)O1 ZINC000181616242 426967740 /nfs/dbraw/zinc/96/77/40/426967740.db2.gz OBAZCYPDKLYCOL-SFFUCWETSA-N 2 0 324.509 2.669 20 0 DFADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]C[C@H](c1cccc(F)c1)N(C)C ZINC000248048312 426975261 /nfs/dbraw/zinc/97/52/61/426975261.db2.gz VVEHBQKUZZQMJP-DTTOXWODSA-N 2 0 307.457 2.747 20 0 DFADRP CC[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccnc(N2CC[NH+](C)CC2)c1 ZINC000181741023 426976986 /nfs/dbraw/zinc/97/69/86/426976986.db2.gz CJZXRZXZWUBGBG-MSOLQXFVSA-N 2 0 316.493 2.892 20 0 DFADRP C[C@H](Cc1ccccc1F)[NH2+]C1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000275824476 426927557 /nfs/dbraw/zinc/92/75/57/426927557.db2.gz GVKAIXZMJAXROY-CCKFTAQKSA-N 2 0 320.452 2.724 20 0 DFADRP Cc1ccccc1-c1noc(C[NH+]2CCC([C@H](C)[NH3+])CC2)n1 ZINC000316017000 426944304 /nfs/dbraw/zinc/94/43/04/426944304.db2.gz KOWNEPOTICJXJV-ZDUSSCGKSA-N 2 0 300.406 2.604 20 0 DFADRP CC(C)[C@H](O)C[NH2+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000248404746 426995709 /nfs/dbraw/zinc/99/57/09/426995709.db2.gz QPYJNPYVUKCFQP-IYWMVGAKSA-N 2 0 316.489 2.894 20 0 DFADRP CC(C)[NH+]1CCN(CCC[N@@H+]2CCc3cccc(F)c3C2)CC1 ZINC000283425138 427013851 /nfs/dbraw/zinc/01/38/51/427013851.db2.gz WPKQOHUVZDQVAG-UHFFFAOYSA-N 2 0 319.468 2.600 20 0 DFADRP C[C@H](Cn1cccn1)[NH2+][C@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000337900150 427027732 /nfs/dbraw/zinc/02/77/32/427027732.db2.gz PHYZQBRTNAYZSB-AOIWGVFYSA-N 2 0 312.461 2.914 20 0 DFADRP OCCCCC[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000248718694 427033884 /nfs/dbraw/zinc/03/38/84/427033884.db2.gz FTBUCCKLZDTTFZ-REPLKXPHSA-N 2 0 302.462 2.934 20 0 DFADRP C[C@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)C2([NH3+])CCC2)cc1 ZINC000295987294 427038750 /nfs/dbraw/zinc/03/87/50/427038750.db2.gz JYOIPKLOBQOJQO-HNNXBMFYSA-N 2 0 315.461 2.559 20 0 DFADRP C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)C2([NH3+])CCC2)cc1 ZINC000295987299 427039026 /nfs/dbraw/zinc/03/90/26/427039026.db2.gz JYOIPKLOBQOJQO-OAHLLOKOSA-N 2 0 315.461 2.559 20 0 DFADRP C[N@@H+]1CCCC[C@@H]1CC[NH+]1CC[C@H](CNc2ccccn2)C1 ZINC000268545121 427048129 /nfs/dbraw/zinc/04/81/29/427048129.db2.gz LYQOLZHNHOIXEJ-IAGOWNOFSA-N 2 0 302.466 2.690 20 0 DFADRP CCN(CCC[NH+]1CCCC1)C(=O)c1ccc(C[NH+](C)C)cc1 ZINC000276441404 427068596 /nfs/dbraw/zinc/06/85/96/427068596.db2.gz LHKVCCFTCUBGCZ-UHFFFAOYSA-N 2 0 317.477 2.696 20 0 DFADRP [NH3+]C1(C(=O)NCc2cccc(C[NH+]3CCCCCC3)c2)CCC1 ZINC000296098454 427074396 /nfs/dbraw/zinc/07/43/96/427074396.db2.gz RPUUSUWWBXENTC-UHFFFAOYSA-N 2 0 315.461 2.560 20 0 DFADRP CC[NH+](CC)C[C@H]1CC[N@H+](C[C@H](O)CCc2ccccc2)C1 ZINC000182424055 427075517 /nfs/dbraw/zinc/07/55/17/427075517.db2.gz UEKCUZNVJXIUKL-RTBURBONSA-N 2 0 304.478 2.644 20 0 DFADRP CC1CC[NH+](C[C@H](O)C[NH2+][C@@H]2CCC[C@@H]2CCCF)CC1 ZINC000337994684 427081345 /nfs/dbraw/zinc/08/13/45/427081345.db2.gz HAEYBYKGQBSVKX-BRWVUGGUSA-N 2 0 300.462 2.587 20 0 DFADRP COCCN1CC[C@@H]([NH2+][C@@H](C)CCc2c(F)cccc2F)C1 ZINC000338000222 427084552 /nfs/dbraw/zinc/08/45/52/427084552.db2.gz VBSKXRJZQUEWML-UONOGXRCSA-N 2 0 312.404 2.596 20 0 DFADRP C[C@H]1C[C@@H]([NH2+]Cc2ccc(OC3CC[NH+](C)CC3)cc2)CCO1 ZINC000283825791 427084537 /nfs/dbraw/zinc/08/45/37/427084537.db2.gz DNBISZAPVQIZKK-RDJZCZTQSA-N 2 0 318.461 2.817 20 0 DFADRP CCOC(=O)c1cc(C[N@H+](C)CCCn2ccnc2C)[nH]c1C ZINC000296127432 427084586 /nfs/dbraw/zinc/08/45/86/427084586.db2.gz UGDNGDIHVRLBHP-UHFFFAOYSA-N 2 0 318.421 2.527 20 0 DFADRP C[C@H](CNC(=O)c1ccc2c[nH+]cn2c1)[N@H+](C)Cc1ccccc1 ZINC000283855660 427089802 /nfs/dbraw/zinc/08/98/02/427089802.db2.gz GWBYSVLDBJIYGY-OAHLLOKOSA-N 2 0 322.412 2.585 20 0 DFADRP C[C@H]([NH3+])[C@H](C)C(=O)NCc1ccccc1C[N@@H+]1CCC[C@@H](C)C1 ZINC000249137519 427091716 /nfs/dbraw/zinc/09/17/16/427091716.db2.gz YYEWCFHKQHCRAP-PMPSAXMXSA-N 2 0 317.477 2.518 20 0 DFADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+][C@H]1CCN(Cc2ccccc2)C1 ZINC000268701091 427093676 /nfs/dbraw/zinc/09/36/76/427093676.db2.gz FPJVMZIHNPHZHE-ZAWLATJESA-N 2 0 301.478 2.579 20 0 DFADRP COCCOCCC[NH2+][C@H]1CCN(Cc2ccccc2)C[C@@H]1C ZINC000268708070 427097597 /nfs/dbraw/zinc/09/75/97/427097597.db2.gz CMOXYQXWPPUAME-HKUYNNGSSA-N 2 0 320.477 2.540 20 0 DFADRP CC[N@@H+]1CC[C@@H]([NH2+]CC2CCN(CC(F)(F)F)CC2)[C@@H](C)C1 ZINC000249204568 427099229 /nfs/dbraw/zinc/09/92/29/427099229.db2.gz VICXKZDIFXXNMO-DZGCQCFKSA-N 2 0 321.431 2.581 20 0 DFADRP C[C@H]([NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccc2c(c1)CCC(=O)N2 ZINC000268765804 427109822 /nfs/dbraw/zinc/10/98/22/427109822.db2.gz JCQFWHBJUZPDNR-IAOVAPTHSA-N 2 0 313.445 2.849 20 0 DFADRP Cc1ncsc1CN(C)C[C@@H]1CC[N@H+](Cc2cccnc2)C1 ZINC000190457352 427114865 /nfs/dbraw/zinc/11/48/65/427114865.db2.gz JBBMLQWKIRGCDO-INIZCTEOSA-N 2 0 316.474 2.800 20 0 DFADRP C[C@H](C(=O)N(C)CC[NH+](C)C1CCCCC1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000338053798 427116465 /nfs/dbraw/zinc/11/64/65/427116465.db2.gz IXRFJZWXQUEKKT-IXDOHACOSA-N 2 0 323.525 2.971 20 0 DFADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC[C@H]1CCC[NH+]1C ZINC000268795465 427119171 /nfs/dbraw/zinc/11/91/71/427119171.db2.gz HUCGMDJAFBCCKP-BHIYHBOVSA-N 2 0 301.478 2.581 20 0 DFADRP C[C@@H]1C[C@@H](NCc2ccc(N3CCCCC3)nc2)CC[N@@H+]1C ZINC000268797050 427119998 /nfs/dbraw/zinc/11/99/98/427119998.db2.gz WXSPCBKHZVRBJQ-WBVHZDCISA-N 2 0 302.466 2.644 20 0 DFADRP C[C@H](C(=O)NCC[NH+](C)C1CCCCC1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000338082810 427132203 /nfs/dbraw/zinc/13/22/03/427132203.db2.gz BPZZEQAHCIYSDO-OWCLPIDISA-N 2 0 309.498 2.628 20 0 DFADRP C[C@@H]([NH2+]CCCN1CCN(c2cc[nH+]cc2)CC1)C(C)(C)C ZINC000268831999 427133793 /nfs/dbraw/zinc/13/37/93/427133793.db2.gz SLEWLONOBJQIHP-MRXNPFEDSA-N 2 0 304.482 2.618 20 0 DFADRP C[C@@H]([NH2+]CCCC[NH+]1C[C@@H](C)O[C@H](C)C1)c1cccc(O)c1 ZINC000249606595 427134387 /nfs/dbraw/zinc/13/43/87/427134387.db2.gz RIWOLJXUPCDYAR-BZUAXINKSA-N 2 0 306.450 2.932 20 0 DFADRP CC(C)c1ccc([C@@H](C)[NH2+]CCCN2CCC[C@H]2C(N)=O)cc1 ZINC000268956221 427141650 /nfs/dbraw/zinc/14/16/50/427141650.db2.gz WEPKSWPCMLTZQR-QAPCUYQASA-N 2 0 317.477 2.800 20 0 DFADRP C[C@H]([NH2+]Cc1ccc(OC2CC[NH+](C)CC2)cc1)c1cn[nH]c1 ZINC000284152005 427145925 /nfs/dbraw/zinc/14/59/25/427145925.db2.gz QNTJKVCXWLDUQL-AWEZNQCLSA-N 2 0 314.433 2.734 20 0 DFADRP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCC(C)(C)CO ZINC000296341382 427153975 /nfs/dbraw/zinc/15/39/75/427153975.db2.gz HWEXIABQDYAONT-WMZOPIPTSA-N 2 0 304.478 2.895 20 0 DFADRP Cc1ccc([C@@H](C)[NH2+]Cc2cccnc2N2CC[NH+](C)CC2)cc1 ZINC000158530559 271076171 /nfs/dbraw/zinc/07/61/71/271076171.db2.gz WXPSVGKODMBGNA-QGZVFWFLSA-N 2 0 324.472 2.993 20 0 DFADRP [NH3+]CC1(C(=O)N2CCC[N@H+](CC3CCCCC3)CC2)CCCC1 ZINC000165651088 271094605 /nfs/dbraw/zinc/09/46/05/271094605.db2.gz XCRYUMLBCOOFCJ-UHFFFAOYSA-N 2 0 321.509 2.620 20 0 DFADRP CCC[C@@H]([NH3+])C(=O)NCc1cccc(C[NH+]2CCCCCC2)c1 ZINC000166414105 271096894 /nfs/dbraw/zinc/09/68/94/271096894.db2.gz JVPSPDNREIIBCU-GOSISDBHSA-N 2 0 317.477 2.806 20 0 DFADRP CC(C)[NH+]1CCC(C(=O)N2CCC[C@H]([NH+]3CCCC3)CC2)CC1 ZINC000175087021 271147211 /nfs/dbraw/zinc/14/72/11/271147211.db2.gz RCRVECKZLXYLRA-SFHVURJKSA-N 2 0 321.509 2.584 20 0 DFADRP CSc1ccccc1[C@@H](C)[NH2+][C@@H](C)CN1CC[NH+](C)CC1 ZINC000194886914 271228965 /nfs/dbraw/zinc/22/89/65/271228965.db2.gz ZMDMMAJSPOFLFI-LSDHHAIUSA-N 2 0 307.507 2.695 20 0 DFADRP CSc1ccccc1[C@H](C)[NH2+]CC1CC[NH+](CCO)CC1 ZINC000194885964 271229282 /nfs/dbraw/zinc/22/92/82/271229282.db2.gz SJJCIJFOLLIABP-AWEZNQCLSA-N 2 0 308.491 2.763 20 0 DFADRP C[C@H]1C[C@@H]([NH2+]CC2(NC(=O)OC(C)(C)C)CCC2)CC[N@@H+]1C ZINC000230406484 271238812 /nfs/dbraw/zinc/23/88/12/271238812.db2.gz GFEZCKBHLUDBQD-KBPBESRZSA-N 2 0 311.470 2.506 20 0 DFADRP C[C@H](CNC(=O)OC(C)(C)C)[NH2+]C1CC[NH+](C(C)(C)C)CC1 ZINC000235457804 271239553 /nfs/dbraw/zinc/23/95/53/271239553.db2.gz LAYUBELTJXGOCJ-CYBMUJFWSA-N 2 0 313.486 2.752 20 0 DFADRP [NH3+][C@@H]1CCCCCC[C@@H]1C(=O)N1CCC(C[NH+]2CCCC2)CC1 ZINC000237851401 271253689 /nfs/dbraw/zinc/25/36/89/271253689.db2.gz PIBACYKCWSAUTP-ZWKOTPCHSA-N 2 0 321.509 2.619 20 0 DFADRP COc1cccc(C[N@H+](C)CCCn2ccnc2C)c1OC ZINC000270583150 271313747 /nfs/dbraw/zinc/31/37/47/271313747.db2.gz DAYDGLSQHKNTPM-UHFFFAOYSA-N 2 0 303.406 2.731 20 0 DFADRP CC[NH+](CC)Cc1ccc(C(=O)N2CC[N@H+](C)[C@@H](C)[C@H]2C)cc1 ZINC000338174280 427171021 /nfs/dbraw/zinc/17/10/21/427171021.db2.gz DWQUNKVKJFDNDG-JKSUJKDBSA-N 2 0 317.477 2.693 20 0 DFADRP [NH3+][C@@H]1CCC[C@@H]([NH2+]C2CCC3(CC2)c2ccccc2NC3=O)C1 ZINC000333343538 271371635 /nfs/dbraw/zinc/37/16/35/271371635.db2.gz YQBKPTMPUQULAC-PPXVZNSRSA-N 2 0 313.445 2.679 20 0 DFADRP CC(C)(C)[C@@H]1CCCC[C@@H]1[NH2+]Cc1nnc(C2CC[NH2+]CC2)[nH]1 ZINC000333622666 271380997 /nfs/dbraw/zinc/38/09/97/271380997.db2.gz UOGSKYCGIPMOLR-CABCVRRESA-N 2 0 319.497 2.966 20 0 DFADRP Cc1cnccc1C[NH2+]CC1(N2CCSCC2)CCCC1 ZINC000296548062 427220183 /nfs/dbraw/zinc/22/01/83/427220183.db2.gz UHLYOQLIANMKFG-UHFFFAOYSA-N 2 0 305.491 2.841 20 0 DFADRP CC[NH+](CC)Cc1ccc(C(=O)N[C@@H]2CCC[N@H+](C)[C@@H]2C)cc1 ZINC000338183120 427177255 /nfs/dbraw/zinc/17/72/55/427177255.db2.gz ACSCFYJUQZPPCB-CRAIPNDOSA-N 2 0 317.477 2.741 20 0 DFADRP C[N@@H+]1CC[C@H](NCCC[NH+]2CCCCC2)[C@@H]1c1ccccc1 ZINC000284318896 427180276 /nfs/dbraw/zinc/18/02/76/427180276.db2.gz POQDRDGQBQGDQR-OALUTQOASA-N 2 0 301.478 2.897 20 0 DFADRP C[C@H]1C[C@@H](CC[NH2+]Cc2nccn2C)C[N@@H+]1Cc1ccccc1 ZINC000338197602 427186066 /nfs/dbraw/zinc/18/60/66/427186066.db2.gz OZBMOKGGPAXBHO-FUHWJXTLSA-N 2 0 312.461 2.810 20 0 DFADRP Fc1ccc(C[NH+]2CCC(CC[NH+]3CCOCC3)CC2)cc1F ZINC000338219214 427199344 /nfs/dbraw/zinc/19/93/44/427199344.db2.gz FXRXJBZIJJVMRG-UHFFFAOYSA-N 2 0 324.415 2.899 20 0 DFADRP CC[NH+](CC)Cc1cccc(CNCc2ccnc(OC)n2)c1 ZINC000296512418 427206354 /nfs/dbraw/zinc/20/63/54/427206354.db2.gz RPQMCOGCGDEGDU-UHFFFAOYSA-N 2 0 314.433 2.617 20 0 DFADRP C[C@H](CO)C[NH2+][C@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000183132081 427208074 /nfs/dbraw/zinc/20/80/74/427208074.db2.gz GGAVIIJAEMBEMR-WNHJNPCNSA-N 2 0 302.462 2.505 20 0 DFADRP CC1(C[NH2+][C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)COC1 ZINC000183141315 427209876 /nfs/dbraw/zinc/20/98/76/427209876.db2.gz BXRDSAIHPOVZNF-GBESFXJTSA-N 2 0 314.473 2.913 20 0 DFADRP CC(C)N(C)c1ccc(C[NH2+]CCC2CC[NH+](C)CC2)cn1 ZINC000190956385 427212066 /nfs/dbraw/zinc/21/20/66/427212066.db2.gz FVAFZQBEMINJFO-UHFFFAOYSA-N 2 0 304.482 2.748 20 0 DFADRP Cn1ccnc1[C@H](NCCC[N@H+](C)Cc1ccccc1)C1CC1 ZINC000183237492 427229329 /nfs/dbraw/zinc/22/93/29/427229329.db2.gz ZADDIOXKBSNRBX-GOSISDBHSA-N 2 0 312.461 2.983 20 0 DFADRP C[N@@H+]1CCC[C@H]1CC[NH2+]C1(Cc2cccc(F)c2)CCOCC1 ZINC000293157645 427229332 /nfs/dbraw/zinc/22/93/32/427229332.db2.gz VJINDEUTZZYNNM-SFHVURJKSA-N 2 0 320.452 2.991 20 0 DFADRP C(CO[C@H]1CCCCO1)C[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000338314196 427256820 /nfs/dbraw/zinc/25/68/20/427256820.db2.gz IKUZNTIVMNGUTF-ROUUACIJSA-N 2 0 310.482 2.728 20 0 DFADRP C[N@@H+]1CC[C@H](NC(=O)c2ccc3c[nH+]cn3c2)[C@H]1c1ccccc1 ZINC000285536048 427263957 /nfs/dbraw/zinc/26/39/57/427263957.db2.gz HQRPXCXZTQCVFD-ZWKOTPCHSA-N 2 0 320.396 2.510 20 0 DFADRP CCOc1ccccc1CNCCC[N@@H+]1CCCO[C@H](C)C1 ZINC000277903170 427352447 /nfs/dbraw/zinc/35/24/47/427352447.db2.gz PBJQGPCOPRJHTH-MRXNPFEDSA-N 2 0 306.450 2.676 20 0 DFADRP CC(C)[N@H+](CC[C@@H]1CCC[NH+]1C)C[C@H](O)COc1ccccc1 ZINC000277776631 427315520 /nfs/dbraw/zinc/31/55/20/427315520.db2.gz LWKVYPLUXUHZSW-ROUUACIJSA-N 2 0 320.477 2.621 20 0 DFADRP CC(C)[N@H+](C)CCNC(=O)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000338429304 427316054 /nfs/dbraw/zinc/31/60/54/427316054.db2.gz ZONMVBYZSXCZCF-UHFFFAOYSA-N 2 0 317.477 2.743 20 0 DFADRP CCC[N@H+](CC)Cc1ccc(C(=O)NCC[NH+](C)C(C)C)cc1 ZINC000338428362 427316406 /nfs/dbraw/zinc/31/64/06/427316406.db2.gz BESZUONIXFWXRI-UHFFFAOYSA-N 2 0 319.493 2.989 20 0 DFADRP C[C@H]([NH2+]C[C@H](O)C[NH+]1CCCCC1)[C@H]1C[C@@H]1c1ccccc1 ZINC000338687903 271574800 /nfs/dbraw/zinc/57/48/00/271574800.db2.gz QPCOVHZSKJNPBB-GDAAHCPNSA-N 2 0 302.462 2.615 20 0 DFADRP C[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+][C@@H]2CCC(=O)NC2(C)C)CC1 ZINC000338775850 271591861 /nfs/dbraw/zinc/59/18/61/271591861.db2.gz QWBOSVPEKUAHFU-HYVNUMGLSA-N 2 0 321.509 2.676 20 0 DFADRP COc1ccccc1/C=C/C[NH2+]CCC[N@@H+]1CCCO[C@H](C)C1 ZINC000277865764 427344208 /nfs/dbraw/zinc/34/42/08/427344208.db2.gz NJCDTIQGVSEODP-HFTQHKIXSA-N 2 0 318.461 2.799 20 0 DFADRP C[NH2+]CC1CC[NH+](Cc2ccc(OC(F)F)c(OC)c2)CC1 ZINC000261986952 427346764 /nfs/dbraw/zinc/34/67/64/427346764.db2.gz SIBUVYNADYHRRA-UHFFFAOYSA-N 2 0 314.376 2.728 20 0 DFADRP CC[C@@](C)(O)C[N@@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000285612293 427290196 /nfs/dbraw/zinc/29/01/96/427290196.db2.gz QECQLIYQQNESFL-MOPGFXCFSA-N 2 0 302.462 2.745 20 0 DFADRP [NH3+]CCCCCCC(=O)N[C@H](C[NH3+])c1ccc2ccccc2c1 ZINC000262800252 427372279 /nfs/dbraw/zinc/37/22/79/427372279.db2.gz NXDCDGJNMMLWFH-GOSISDBHSA-N 2 0 313.445 2.865 20 0 DFADRP CC[N@H+](Cc1ccc(C(=O)N[C@H]2CC[NH2+]C[C@H]2C)cc1)C(C)C ZINC000262918387 427380023 /nfs/dbraw/zinc/38/00/23/427380023.db2.gz ZDPXCCJEOVJRGT-QAPCUYQASA-N 2 0 317.477 2.645 20 0 DFADRP CS[C@@H]1CCCC[N@H+](CCCN2CC[NH+](C(C)C)CC2)C1 ZINC000191589833 427385208 /nfs/dbraw/zinc/38/52/08/427385208.db2.gz JOMKOVVDWQSJLS-QGZVFWFLSA-N 2 0 313.555 2.620 20 0 DFADRP Nc1ncccc1CN1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000297291283 427388358 /nfs/dbraw/zinc/38/83/58/427388358.db2.gz XWPXTVPRBNBJSO-MRXNPFEDSA-N 2 0 302.466 2.752 20 0 DFADRP CCn1nccc1CC[NH2+][C@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000338573259 427388701 /nfs/dbraw/zinc/38/87/01/427388701.db2.gz UFBILZKXCUUKSI-CVEARBPZSA-N 2 0 304.482 2.688 20 0 DFADRP CCn1nc(CN2CC[C@]3(C2)CCC[N@H+](C)C3)c2ccccc21 ZINC000293633277 427388768 /nfs/dbraw/zinc/38/87/68/427388768.db2.gz LRAKZELESKFDFQ-LJQANCHMSA-N 2 0 312.461 2.974 20 0 DFADRP COC(=O)C(C)(C)CC[NH2+][C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000338571940 427389095 /nfs/dbraw/zinc/38/90/95/427389095.db2.gz NSAJQMMCEPEJOL-GJZGRUSLSA-N 2 0 310.482 2.818 20 0 DFADRP Nc1ncccc1CN1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000297291279 427389986 /nfs/dbraw/zinc/38/99/86/427389986.db2.gz XWPXTVPRBNBJSO-INIZCTEOSA-N 2 0 302.466 2.752 20 0 DFADRP FCCCC[NH+]1CCN([C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000286000174 427398084 /nfs/dbraw/zinc/39/80/84/427398084.db2.gz OURXZROSXJZLSU-LJQANCHMSA-N 2 0 319.468 2.628 20 0 DFADRP CC(C)[NH+]1CCC([NH2+][C@@H](C)c2ccccc2-n2ccnn2)CC1 ZINC000286000227 427398996 /nfs/dbraw/zinc/39/89/96/427398996.db2.gz IPQDXYIJTPSJEQ-HNNXBMFYSA-N 2 0 313.449 2.791 20 0 DFADRP C[C@H]1[C@@H]([NH2+]CCCn2ccnc2)CCCN1Cc1ccccc1 ZINC000293675593 427402933 /nfs/dbraw/zinc/40/29/33/427402933.db2.gz JZJLFNVFNFTURK-HKUYNNGSSA-N 3 0 312.461 2.916 20 0 DFADRP CC[N@@H+]1CC[C@@H]([NH2+]CCc2cc(C(F)(F)F)ccn2)[C@H](C)C1 ZINC000293720759 427413113 /nfs/dbraw/zinc/41/31/13/427413113.db2.gz NQOPCOMYFMDEJW-IUODEOHRSA-N 2 0 315.383 2.963 20 0 DFADRP C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)CC1(C[NH3+])CCCCC1 ZINC000184228424 427419684 /nfs/dbraw/zinc/41/96/84/427419684.db2.gz VLJAMUWNCALMPD-HZPDHXFCSA-N 2 0 309.498 2.522 20 0 DFADRP CNC(=O)CCC[NH2+]C1CCC([N@H+](C)Cc2ccccc2)CC1 ZINC000286069092 427415377 /nfs/dbraw/zinc/41/53/77/427415377.db2.gz LTLYDNCTCLPEKJ-UHFFFAOYSA-N 2 0 317.477 2.545 20 0 DFADRP CC(C)[NH+]1CCN(CCC[N@@H+]2CC[C@@H](c3ccccc3)C2)CC1 ZINC000191465154 427357107 /nfs/dbraw/zinc/35/71/07/427357107.db2.gz WWPBITLQYHGECL-HXUWFJFHSA-N 2 0 315.505 2.892 20 0 DFADRP C[C@H](CCO)CC[NH2+][C@@H](C)c1cccc(OCC[NH+](C)C)c1 ZINC000297225235 427365904 /nfs/dbraw/zinc/36/59/04/427365904.db2.gz HMWHRQCIVOPABJ-HOTGVXAUSA-N 2 0 308.466 2.686 20 0 DFADRP C[C@H](C[NH2+][C@@H](C)CC(=O)Nc1cccc(Cl)c1)C[NH+](C)C ZINC000293824255 427450495 /nfs/dbraw/zinc/45/04/95/427450495.db2.gz WGWRKEFWMHSBLK-OLZOCXBDSA-N 2 0 311.857 2.844 20 0 DFADRP Cc1nc(C(C)C)ccc1C[N@H+](C)CCCN1CC[NH+](C)CC1 ZINC000293823626 427451219 /nfs/dbraw/zinc/45/12/19/427451219.db2.gz PBNXJQTWPGOZLR-UHFFFAOYSA-N 2 0 318.509 2.583 20 0 DFADRP COc1ccc(C[C@H](C)[NH2+]C[C@@H]2CCCN2C)c(C)c1OC ZINC000286212477 427454162 /nfs/dbraw/zinc/45/41/62/427454162.db2.gz SBNCZTSIBSLUKM-BBRMVZONSA-N 2 0 306.450 2.627 20 0 DFADRP Cc1nccn1CC(=O)Nc1cccc(C[NH+]2CCCCC2)c1 ZINC000297794332 427455516 /nfs/dbraw/zinc/45/55/16/427455516.db2.gz MGAJWBFJOXCUMY-UHFFFAOYSA-N 2 0 312.417 2.816 20 0 DFADRP CC(C)CC[NH+]1CCN([C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000271301149 427488250 /nfs/dbraw/zinc/48/82/50/427488250.db2.gz SIHAQDZVVLAINY-HXUWFJFHSA-N 2 0 315.505 2.925 20 0 DFADRP CN(CC[N@H+](C)C1CCCCC1)C(=O)C1CC[NH+](C2CC2)CC1 ZINC000338753193 427469076 /nfs/dbraw/zinc/46/90/76/427469076.db2.gz IOUYYUHMDIVJBP-UHFFFAOYSA-N 2 0 321.509 2.584 20 0 DFADRP C[C@H]1OCC[C@H]1[NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]12 ZINC000293872107 427472325 /nfs/dbraw/zinc/47/23/25/427472325.db2.gz YGCPONLMJIQDKU-WSIUPNEHSA-N 2 0 300.446 2.664 20 0 DFADRP C[C@H]([NH3+])[C@H](C)C(=O)Nc1ccc(-c2ncc3n2CCCC3)cc1 ZINC000192099804 427479219 /nfs/dbraw/zinc/47/92/19/427479219.db2.gz OWQMLILMCJKGAW-STQMWFEESA-N 2 0 312.417 2.808 20 0 DFADRP C[C@@H]([NH3+])[C@H](C)C(=O)NCc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000192104259 427480108 /nfs/dbraw/zinc/48/01/08/427480108.db2.gz ZHDZNOBZKBDLGF-JKSUJKDBSA-N 2 0 317.477 2.662 20 0 DFADRP C[C@H]([NH2+]CCCN1CCC[N@H+](C)CC1)[C@H]1C[C@@H]1c1ccccc1 ZINC000338780721 427484758 /nfs/dbraw/zinc/48/47/58/427484758.db2.gz AAKOTQJMVYSWCL-DFQSSKMNSA-N 2 0 315.505 2.796 20 0 DFADRP CC[C@@H](C)C[NH+]1CCN([C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000286086336 427420586 /nfs/dbraw/zinc/42/05/86/427420586.db2.gz SPDVDIPHJWXIFX-QUCCMNQESA-N 2 0 315.505 2.925 20 0 DFADRP CC[NH+]1CCN([C@H]2CC[N@H+](Cc3c(C)cccc3Cl)C2)CC1 ZINC000297669643 427424774 /nfs/dbraw/zinc/42/47/74/427424774.db2.gz ZRSCRQURPHIAKW-INIZCTEOSA-N 2 0 321.896 2.860 20 0 DFADRP C[C@@H]1C[N@H+](CCC[NH2+][C@H]2CCc3cc(F)ccc32)CCCO1 ZINC000278363087 427431007 /nfs/dbraw/zinc/43/10/07/427431007.db2.gz BLWYNIWRVGCSTN-KDOFPFPSSA-N 2 0 306.425 2.904 20 0 DFADRP C[NH+]1CCC([C@@H]2CCN(Cc3c(F)ccc(O)c3F)C2)CC1 ZINC000293779294 427433319 /nfs/dbraw/zinc/43/33/19/427433319.db2.gz BRSYYGRUKXRSRM-CYBMUJFWSA-N 2 0 310.388 2.834 20 0 DFADRP C[C@@H]1CC[N@H+](Cc2cccc3nsnc32)C[C@@H]1n1ccnc1 ZINC000271202135 427445242 /nfs/dbraw/zinc/44/52/42/427445242.db2.gz FOXYXNUMUAWSRQ-DOMZBBRYSA-N 2 0 313.430 2.971 20 0 DFADRP c1ccc2c(c1)C[C@@H]1[C@H]([NH2+]C3CCN(c4cc[nH+]cc4)CC3)[C@H]21 ZINC000298019104 427502631 /nfs/dbraw/zinc/50/26/31/427502631.db2.gz DLSLPOFMMZPBCS-ZCNNSNEGSA-N 2 0 305.425 2.978 20 0 DFADRP CC(C)[NH2+]C1CCN([C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000271365957 427510299 /nfs/dbraw/zinc/51/02/99/427510299.db2.gz OHZCSYLRWUCKHI-LJQANCHMSA-N 2 0 301.478 2.723 20 0 DFADRP Cc1ccc([C@H](CNC2CC[NH+](C3CC3)CC2)[NH+](C)C)cc1 ZINC000298225009 427539710 /nfs/dbraw/zinc/53/97/10/427539710.db2.gz ATBWWSODGGEEIK-IBGZPJMESA-N 2 0 301.478 2.814 20 0 DFADRP C[C@@H](C[NH2+][C@@H](C)c1ccc(N2CCCOC2=O)cc1)C[NH+](C)C ZINC000294073407 427539814 /nfs/dbraw/zinc/53/98/14/427539814.db2.gz HYBWQNCHVLUDSR-GJZGRUSLSA-N 2 0 319.449 2.882 20 0 DFADRP COc1ccc(CC[NH2+]C2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC000298245373 427545920 /nfs/dbraw/zinc/54/59/20/427545920.db2.gz CYMZXIMEZXAGPL-UHFFFAOYSA-N 2 0 311.429 2.891 20 0 DFADRP C[N@@H+]1CCC[C@@H]1CC[NH+]1CCC[C@@H]1Cn1cnc2ccccc21 ZINC000271458280 427547025 /nfs/dbraw/zinc/54/70/25/427547025.db2.gz YIWRVEGEHRQQGK-IAGOWNOFSA-N 2 0 312.461 2.985 20 0 DFADRP COCCC[NH+]1CCC([NH2+]CCc2cccc(Cl)c2)CC1 ZINC000298256519 427551234 /nfs/dbraw/zinc/55/12/34/427551234.db2.gz FDUFHDXEAIQMHM-UHFFFAOYSA-N 2 0 310.869 2.973 20 0 DFADRP C[C@@H]1[C@H](NC2CC[NH+](C3CC3)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000294314323 427620992 /nfs/dbraw/zinc/62/09/92/427620992.db2.gz WCQDRHXTOKVQAB-OXQOHEQNSA-N 2 0 313.489 2.866 20 0 DFADRP CC[N@@H+]1CC[C@H]([NH+](C)C[C@@H](O)Cc2ccc(F)cc2)C[C@@H]1C ZINC000339009701 427622409 /nfs/dbraw/zinc/62/24/09/427622409.db2.gz GKXCITQSJHMAEP-WBAXXEDZSA-N 2 0 308.441 2.534 20 0 DFADRP C[C@H](CNC(=O)c1ccc(C[NH+]2CCCCC2)cc1)C[NH+](C)C ZINC000294176295 427575467 /nfs/dbraw/zinc/57/54/67/427575467.db2.gz MOODTOWGDBEQRP-MRXNPFEDSA-N 2 0 317.477 2.600 20 0 DFADRP O[C@@H](C[NH2+]CC(c1ccccc1)c1ccccc1)C[NH+]1CCCC1 ZINC000271694297 427580998 /nfs/dbraw/zinc/58/09/98/427580998.db2.gz OZSYNTACCGSHLM-FQEVSTJZSA-N 2 0 324.468 2.865 20 0 DFADRP COCc1cc([C@H](C)[NH2+]CCC[NH+]2CCCC2)ccc1OC ZINC000192747394 427602949 /nfs/dbraw/zinc/60/29/49/427602949.db2.gz DDDIIWUPAROYJS-HNNXBMFYSA-N 2 0 306.450 2.978 20 0 DFADRP C[C@@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C)N1CCc2ccccc2C1 ZINC000192751612 427602979 /nfs/dbraw/zinc/60/29/79/427602979.db2.gz KKXWKHYKICRKMR-FAXKSRBJSA-N 2 0 313.489 2.648 20 0 DFADRP C[C@@H](C[NH2+]C1CCN(c2cc[nH+]cc2)CC1)N1CCC[C@@H](C)C1 ZINC000298434694 427608703 /nfs/dbraw/zinc/60/87/03/427608703.db2.gz NEVXBUDGECUHQU-SJORKVTESA-N 2 0 316.493 2.760 20 0 DFADRP CCc1ccc(C[NH+]2CCC(OCC[NH+](CC)CC)CC2)nc1 ZINC000339011202 427625509 /nfs/dbraw/zinc/62/55/09/427625509.db2.gz TXKOSTPMYAVUKA-UHFFFAOYSA-N 2 0 319.493 2.967 20 0 DFADRP CC[N@@H+]1CC[C@@H]([NH2+]C[C@](C)(O)c2cccc(Cl)c2)[C@H](C)C1 ZINC000185314072 427629687 /nfs/dbraw/zinc/62/96/87/427629687.db2.gz HVLOJKKSLFBSEQ-XYPHTWIQSA-N 2 0 310.869 2.867 20 0 DFADRP C[C@@](O)(C[NH2+]C1CCN(c2cc[nH+]cc2)CC1)c1cccs1 ZINC000294339943 427630223 /nfs/dbraw/zinc/63/02/23/427630223.db2.gz YIVMTDRJSPSRHS-QGZVFWFLSA-N 2 0 317.458 2.609 20 0 DFADRP C[C@@H](C[NH+]1CCN(CC[NH+]2CCCC2)CC1)c1ccccc1 ZINC000192936198 427637599 /nfs/dbraw/zinc/63/75/99/427637599.db2.gz RAEFFFQHTQIVOH-SFHVURJKSA-N 2 0 301.478 2.504 20 0 DFADRP CC[N@@H+]1CC[C@H]([NH+](C)C[C@H](O)Cc2cccc(Cl)c2)[C@@H](C)C1 ZINC000287566185 427641108 /nfs/dbraw/zinc/64/11/08/427641108.db2.gz BLMBBTRRWCEOAC-QGTPRVQTSA-N 2 0 324.896 2.906 20 0 DFADRP COCc1ccc(C[N@@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@@H]32)cc1 ZINC000339042872 427642608 /nfs/dbraw/zinc/64/26/08/427642608.db2.gz CEPPVBZOWPIELR-CEXWTWQISA-N 2 0 318.461 2.517 20 0 DFADRP CCC[C@H]([NH2+]CCCC[N@@H+]1CCC[C@@H]1CO)c1cccnc1 ZINC000185414207 427649469 /nfs/dbraw/zinc/64/94/69/427649469.db2.gz DTVWTWFRRAAVNC-MSOLQXFVSA-N 2 0 305.466 2.749 20 0 DFADRP CC(C)[C@H](C[NH2+]C1CCN(c2cc[nH+]cc2)CC1)N1CCCC1 ZINC000298558832 427649970 /nfs/dbraw/zinc/64/99/70/427649970.db2.gz VRCBKFDJLVLOLJ-IBGZPJMESA-N 3 0 316.493 2.760 20 0 DFADRP C[C@@H](C[NH+]1CCCCCC1)NC(=O)c1cccc(C[NH+](C)C)c1 ZINC000185423941 427652389 /nfs/dbraw/zinc/65/23/89/427652389.db2.gz ZUJOPRFLPDCUJX-INIZCTEOSA-N 2 0 317.477 2.743 20 0 DFADRP C[C@H]1CCCCN1CC[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000298607092 427656714 /nfs/dbraw/zinc/65/67/14/427656714.db2.gz ZTHLTMAGGFGNCK-INIZCTEOSA-N 2 0 302.466 2.514 20 0 DFADRP C[C@@H]1C[C@@H]([NH2+]CCC(C)(C)CO)CN(Cc2ccccc2)C1 ZINC000294766643 427656940 /nfs/dbraw/zinc/65/69/40/427656940.db2.gz JSBACIGCSLCHAF-SJLPKXTDSA-N 2 0 304.478 2.895 20 0 DFADRP c1cn(-c2ccccc2)nc1CC[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000339065915 427658742 /nfs/dbraw/zinc/65/87/42/427658742.db2.gz DSORNKDAJMCRQE-PKOBYXMFSA-N 2 0 310.445 2.631 20 0 DFADRP CC(C)(C)c1cn2c(n1)CC[C@H]([NH2+][C@@H]1CC[N@@H+]3CCC[C@@H]3C1)C2 ZINC000339068044 427658826 /nfs/dbraw/zinc/65/88/26/427658826.db2.gz JLUJRBNEGDCODF-OWCLPIDISA-N 2 0 316.493 2.712 20 0 DFADRP c1cnn(Cc2ccc(C[NH2+][C@@H]3CC[N@@H+]4CCC[C@H]4C3)cc2)c1 ZINC000339072131 427661194 /nfs/dbraw/zinc/66/11/94/427661194.db2.gz TXGROKIMTFVVCJ-MOPGFXCFSA-N 2 0 310.445 2.648 20 0 DFADRP CC[NH+]1CCN([C@H](C)C[NH2+][C@H]2CCc3ccc(Cl)cc32)CC1 ZINC000343091145 272084975 /nfs/dbraw/zinc/08/49/75/272084975.db2.gz CJAAKKLZZGHNHT-KDOFPFPSSA-N 2 0 321.896 2.943 20 0 DFADRP C[C@@H](C[NH2+][C@@H]1CCc2ccc(Cl)cc21)CN1CC[NH+](C)CC1 ZINC000343102767 272086872 /nfs/dbraw/zinc/08/68/72/272086872.db2.gz MWYQPEDMCUWLBE-KBXCAEBGSA-N 2 0 321.896 2.800 20 0 DFADRP OCC[NH+]1CCC(C[NH2+][C@H]2CCc3ccc(Cl)cc32)CC1 ZINC000343116885 272089294 /nfs/dbraw/zinc/08/92/94/272089294.db2.gz JRMCPEVTCIZIQD-KRWDZBQOSA-N 2 0 308.853 2.621 20 0 DFADRP CCc1cc(N(C)C[C@H]2C[C@@H](OC)C[N@@H+]2C)c2ccccc2[nH+]1 ZINC000343299289 272115044 /nfs/dbraw/zinc/11/50/44/272115044.db2.gz BDZGILDLYMDDOK-HZPDHXFCSA-N 2 0 313.445 2.953 20 0 DFADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@H](O)c2cc(F)cc(Cl)c2)[C@@H](C)C1 ZINC000279452348 427677244 /nfs/dbraw/zinc/67/72/44/427677244.db2.gz IHNPHLRIZBKAAO-UVBJJODRSA-N 2 0 314.832 2.832 20 0 DFADRP C[C@@H](Cc1cccc(C(F)(F)F)c1)[NH2+]CCOCC[NH+](C)C ZINC000343460227 272152175 /nfs/dbraw/zinc/15/21/75/272152175.db2.gz SOFDCJGYTREZNE-ZDUSSCGKSA-N 2 0 318.383 2.804 20 0 DFADRP CC[NH+](CC)CCO[C@H]1CCN(Cc2nc(C3CC3)cs2)C1 ZINC000343529822 272165240 /nfs/dbraw/zinc/16/52/40/272165240.db2.gz CMJDMQKDOQAELK-HNNXBMFYSA-N 2 0 323.506 2.953 20 0 DFADRP CCN1C[C@@H](C)[C@@H]([NH2+]Cc2cccc(C[NH+](CC)CC)c2)C1 ZINC000343557943 272169526 /nfs/dbraw/zinc/16/95/26/272169526.db2.gz GOESZZDYEPTGDX-APWZRJJASA-N 2 0 303.494 2.958 20 0 DFADRP CC[NH+](CC)CC1CC[NH+](Cc2cc(C(=O)OC)c(C)o2)CC1 ZINC000343575066 272174942 /nfs/dbraw/zinc/17/49/42/272174942.db2.gz DWTMPWMXQRTXPI-UHFFFAOYSA-N 2 0 322.449 2.928 20 0 DFADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@H](O)c2cc(F)cc(Cl)c2)[C@H](C)C1 ZINC000279452345 427676187 /nfs/dbraw/zinc/67/61/87/427676187.db2.gz IHNPHLRIZBKAAO-RLCCDNCMSA-N 2 0 314.832 2.832 20 0 DFADRP CCN1C[C@H]([NH2+]CC2CC[NH+](Cc3ccccc3)CC2)[C@@H](C)C1 ZINC000343705294 272205394 /nfs/dbraw/zinc/20/53/94/272205394.db2.gz BYKDYZHBRPQRRM-PXNSSMCTSA-N 2 0 315.505 2.828 20 0 DFADRP CC(C)(C)[C@@H](O)C[N@@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000343937903 272240511 /nfs/dbraw/zinc/24/05/11/272240511.db2.gz KZQLWOVJTRKNCO-AZUAARDMSA-N 2 0 316.489 2.991 20 0 DFADRP CCO[C@@H]1C[C@@H]([NH2+]CCC[N@H+](C)CCOC)C12CCCCC2 ZINC000344029248 272251662 /nfs/dbraw/zinc/25/16/62/272251662.db2.gz BQGQAEASCSICDR-IAGOWNOFSA-N 2 0 312.498 2.672 20 0 DFADRP Cc1cn2cc(NC(=O)CN(C)Cc3ccccc3)ccc2n1 ZINC000339117473 427681727 /nfs/dbraw/zinc/68/17/27/427681727.db2.gz VNUHJXAFMFIRGE-UHFFFAOYSA-N 2 0 308.385 2.713 20 0 DFADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@@H](O)c2cc(F)cc(Cl)c2)[C@H](C)C1 ZINC000279452350 427677596 /nfs/dbraw/zinc/67/75/96/427677596.db2.gz IHNPHLRIZBKAAO-XFBWCDHKSA-N 2 0 314.832 2.832 20 0 DFADRP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+]C[C@@H](C)Cn1ccnc1C ZINC000344119518 272267583 /nfs/dbraw/zinc/26/75/83/272267583.db2.gz PDVMTMPZIWHRSK-CQSZACIVSA-N 2 0 324.432 2.507 20 0 DFADRP C[C@@H](C[NH2+][C@@H]1CCCc2ccc(F)cc21)CN1CC[NH+](C)CC1 ZINC000344172906 272279422 /nfs/dbraw/zinc/27/94/22/272279422.db2.gz PDSJDJGOEOUWDP-HNAYVOBHSA-N 2 0 319.468 2.676 20 0 DFADRP c1cc(OCC[NH+]2CCCC2)ccc1C[NH2+]CC1=CCCOC1 ZINC000344359701 272320382 /nfs/dbraw/zinc/32/03/82/272320382.db2.gz VRFURHYHOFZESB-UHFFFAOYSA-N 2 0 316.445 2.598 20 0 DFADRP CO[C@H](C[NH2+][C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1)C1CC1 ZINC000295080253 427684069 /nfs/dbraw/zinc/68/40/69/427684069.db2.gz TVJUXUXQNPAFJH-ZYSHUDEJSA-N 2 0 302.462 2.912 20 0 DFADRP C[NH+](C)CC1(C(=O)NC[C@@H]2[N@H+](C)CCCC2(C)C)CCCCC1 ZINC000344679398 272355865 /nfs/dbraw/zinc/35/58/65/272355865.db2.gz YNUCYODYBYVILH-INIZCTEOSA-N 2 0 323.525 2.735 20 0 DFADRP CC[N@@H+]1C[C@H](C)[C@H](N[C@@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)C1 ZINC000344832621 272375767 /nfs/dbraw/zinc/37/57/67/272375767.db2.gz PBULRGKNMKFJFO-ONCXSQPRSA-N 2 0 315.505 2.969 20 0 DFADRP COCC[N@H+](C)CCCNc1c(C)cnc2c(OC)cccc21 ZINC000344900740 272383822 /nfs/dbraw/zinc/38/38/22/272383822.db2.gz XVAIRZWCJDQFEC-UHFFFAOYSA-N 2 0 317.433 2.932 20 0 DFADRP C[C@H]([NH2+]C[C@H](O)c1ccccc1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185678156 427688677 /nfs/dbraw/zinc/68/86/77/427688677.db2.gz XZELOUXRFLMRIM-WDYCEAGBSA-N 2 0 302.462 2.963 20 0 DFADRP COc1ccncc1CN1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000287777760 427689914 /nfs/dbraw/zinc/68/99/14/427689914.db2.gz NHEDNYJUERBHKW-YOEHRIQHSA-N 2 0 301.434 2.539 20 0 DFADRP C[C@@H]([NH2+]C1CCN(C)CC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272270106 427690284 /nfs/dbraw/zinc/69/02/84/427690284.db2.gz BCZCWBDVRREMFY-SJLPKXTDSA-N 2 0 301.478 2.581 20 0 DFADRP CC[NH+](CC)C[C@@H]1CC[N@H+](C[C@@H](O)Cc2cccc(Cl)c2)C1 ZINC000287779948 427691050 /nfs/dbraw/zinc/69/10/50/427691050.db2.gz NJQUJGVHOHGKDZ-WMZOPIPTSA-N 2 0 324.896 2.907 20 0 DFADRP CCOc1ccccc1C[NH+]1CCC(N2CCO[C@H](C)C2)CC1 ZINC000193430374 427691254 /nfs/dbraw/zinc/69/12/54/427691254.db2.gz UEIFKKPYLBWJSN-MRXNPFEDSA-N 2 0 318.461 2.770 20 0 DFADRP C[C@@H](CCN1CC[NH+](C)CC1)[NH2+]Cc1cc(Cl)ccc1F ZINC000185876395 427723302 /nfs/dbraw/zinc/72/33/02/427723302.db2.gz AKTGFFHSFYHRBK-ZDUSSCGKSA-N 2 0 313.848 2.595 20 0 DFADRP C[C@@H](CCO)C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000272283091 427696641 /nfs/dbraw/zinc/69/66/41/427696641.db2.gz AMLOFAQGUZGXGR-DSLXNQLJSA-N 2 0 302.462 2.790 20 0 DFADRP C[N@H+]1C[C@H]2CN(Cc3ncc(-c4ccc(Cl)cc4)o3)C[C@H]2C1 ZINC000193630617 427702012 /nfs/dbraw/zinc/70/20/12/427702012.db2.gz ADQQQDDYAMQQQD-OKILXGFUSA-N 2 0 317.820 2.988 20 0 DFADRP CC(C)[NH+]1CCC([NH2+][C@H](C)c2cccc(-n3ccnn3)c2)CC1 ZINC000287845945 427702544 /nfs/dbraw/zinc/70/25/44/427702544.db2.gz WMPQQPNIHQNPMD-OAHLLOKOSA-N 2 0 313.449 2.791 20 0 DFADRP C[N@H+]1C[C@H]2CN(CCOc3ccc(C(F)(F)F)cc3)C[C@H]2C1 ZINC000193639985 427704017 /nfs/dbraw/zinc/70/40/17/427704017.db2.gz HSWRHKUMVOHJPF-BETUJISGSA-N 2 0 314.351 2.578 20 0 DFADRP CC(C)SCC[NH+]1CCN(CC[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC000336846807 427757145 /nfs/dbraw/zinc/75/71/45/427757145.db2.gz RAUAFZCLAVBVJZ-IAGOWNOFSA-N 2 0 313.555 2.618 20 0 DFADRP C[N@H+](CCCNC(=O)C[C@@H]1CCCC[C@@H]1[NH3+])C1CCCCC1 ZINC000336864992 427765923 /nfs/dbraw/zinc/76/59/23/427765923.db2.gz HPVWPYDCPFMNKH-RDJZCZTQSA-N 2 0 309.498 2.665 20 0 DFADRP CC1=C[C@H](C)C[C@@H](C[NH2+]C[C@@H](C(C)C)N2CC[NH+](C)CC2)C1 ZINC000336865926 427766671 /nfs/dbraw/zinc/76/66/71/427766671.db2.gz UXLMOJOKIBYECS-UHOSZYNNSA-N 2 0 307.526 2.840 20 0 DFADRP CC1(C)CCC[C@H]([NH2+]C[C@H](O)CN2CCc3ccccc3C2)C1 ZINC000339549028 427791126 /nfs/dbraw/zinc/79/11/26/427791126.db2.gz POMCJSYAAYASRA-OALUTQOASA-N 2 0 316.489 2.964 20 0 DFADRP c1ccc(CCCO[C@@H]2CC[N@H+](C[C@@H]3CCC[NH2+]C3)C2)cc1 ZINC000339427853 427773063 /nfs/dbraw/zinc/77/30/63/427773063.db2.gz DZNIPFUCSRVSBP-RTBURBONSA-N 2 0 302.462 2.710 20 0 DFADRP C[C@@H]1CC(C)(C)C[C@H]1[NH2+]C[C@@H](O)CN1CCc2ccccc2C1 ZINC000339546561 427791675 /nfs/dbraw/zinc/79/16/75/427791675.db2.gz VTQZERPAVYAULZ-ATZDWAIDSA-N 2 0 316.489 2.820 20 0 DFADRP C(C1CC1)[NH+]1CCC([NH2+][C@H]2[C@H]3CCO[C@H]3C23CCCC3)CC1 ZINC000193983102 427724753 /nfs/dbraw/zinc/72/47/53/427724753.db2.gz WILLOYKYQCILSX-FGTMMUONSA-N 2 0 304.478 2.798 20 0 DFADRP CC(C)C[N@@H+]1CCC[C@@H](C[NH2+][C@@H]2[C@H]3CCO[C@H]3C23CCC3)C1 ZINC000194118864 427732025 /nfs/dbraw/zinc/73/20/25/427732025.db2.gz VKJGFHHWQLKSBM-BSDSXHPESA-N 2 0 306.494 2.902 20 0 DFADRP C[C@H](O)CCC[N@H+]1C[C@@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1 ZINC000336655973 427745788 /nfs/dbraw/zinc/74/57/88/427745788.db2.gz JULWYXTVBCCOPO-QXAKKESOSA-N 2 0 302.462 2.601 20 0 DFADRP c1ccc(C[NH+]2CC[C@@H]3C[N@@H+](C[C@@H]4CCCOC4)C[C@@H]3C2)cc1 ZINC000336713552 427748964 /nfs/dbraw/zinc/74/89/64/427748964.db2.gz NCESFFQVACBYLY-ZCNNSNEGSA-N 2 0 314.473 2.867 20 0 DFADRP COc1ccc([C@@H](C)[NH2+]C[C@@H](C)C[NH3+])cc1Br ZINC000336699264 427749283 /nfs/dbraw/zinc/74/92/83/427749283.db2.gz JJBBYDTZYUYSRT-VHSXEESVSA-N 2 0 301.228 2.703 20 0 DFADRP CCC[N@@H+]1CCC[C@H]1C(=O)NCC(C)(C)[NH+]1C[C@H](C)C[C@H](C)C1 ZINC000339694436 427813099 /nfs/dbraw/zinc/81/30/99/427813099.db2.gz KGBBLDNREVAESQ-BBWFWOEESA-N 2 0 323.525 2.734 20 0 DFADRP CC(C)[NH+]1CCN(CCC[N@@H+]2CC[C@H]2c2ccccc2)CC1 ZINC000337250109 427824102 /nfs/dbraw/zinc/82/41/02/427824102.db2.gz MHCRTTZAOPMLKE-IBGZPJMESA-N 2 0 301.478 2.850 20 0 DFADRP CN(C)CC(=O)Nc1cccc(CNc2nc3ccccc3[nH]2)c1 ZINC000301885435 427832588 /nfs/dbraw/zinc/83/25/88/427832588.db2.gz OOZOAMFIVJNHSZ-UHFFFAOYSA-N 2 0 323.400 2.675 20 0 DFADRP CC[C@@H](C)[N@H+](C)CCNC(=O)[C@H](c1ccccc1)[NH+](CC)CC ZINC000355622039 427833408 /nfs/dbraw/zinc/83/34/08/427833408.db2.gz ACZYJJPAONZROD-AEFFLSMTSA-N 2 0 319.493 2.916 20 0 DFADRP C[C@H]1CCC[C@@](CNC(=O)c2ccc3c[nH+]cn3c2)([NH+](C)C)C1 ZINC000339816565 427835851 /nfs/dbraw/zinc/83/58/51/427835851.db2.gz SNFSTUXURWRXBI-KBXCAEBGSA-N 2 0 314.433 2.575 20 0 DFADRP CC(C)[NH+]1CCN(CCC[NH2+]C2(c3ccc(F)cc3)CC2)CC1 ZINC000337323268 427843473 /nfs/dbraw/zinc/84/34/73/427843473.db2.gz SETLPTDDQFCNLS-UHFFFAOYSA-N 2 0 319.468 2.821 20 0 DFADRP CC(C)OC[C@H](C)[NH2+]C[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000337325030 427847180 /nfs/dbraw/zinc/84/71/80/427847180.db2.gz BQRCQGFCGWACOQ-PKOBYXMFSA-N 2 0 304.478 2.954 20 0 DFADRP CN1CCC[C@@H]1C[NH2+]Cc1ccccc1OCc1ccncc1 ZINC000340437634 427847331 /nfs/dbraw/zinc/84/73/31/427847331.db2.gz VIGHQUSLIFFBAZ-GOSISDBHSA-N 2 0 311.429 2.844 20 0 DFADRP C[C@H](c1ccccn1)[NH+]1CCC(CC[NH+]2CCOCC2)CC1 ZINC000355691648 427852202 /nfs/dbraw/zinc/85/22/02/427852202.db2.gz INIBQGYWSCPOGH-MRXNPFEDSA-N 2 0 303.450 2.577 20 0 DFADRP CC(C)[C@@H](Cn1cccn1)[NH2+]CCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000340472560 427856120 /nfs/dbraw/zinc/85/61/20/427856120.db2.gz DMHYPZSNXPKASF-FGTMMUONSA-N 2 0 306.498 2.865 20 0 DFADRP Cc1nccnc1CC[NH2+]C1CC[NH+]([C@@H]2CCC[C@H](C)C2)CC1 ZINC000340489385 427860942 /nfs/dbraw/zinc/86/09/42/427860942.db2.gz MGRNGWWAFAKVBS-MAUKXSAKSA-N 2 0 316.493 2.960 20 0 DFADRP C[C@@H]1CCC[C@H]([NH2+]C[C@@H](O)CN2CCc3ccccc3C2)[C@@H]1C ZINC000340507654 427866799 /nfs/dbraw/zinc/86/67/99/427866799.db2.gz YSKUMIQWUBPSQZ-SMOSDQRPSA-N 2 0 316.489 2.820 20 0 DFADRP CC(C)CN(CC[NH+](C)C)C(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000340527110 427871363 /nfs/dbraw/zinc/87/13/63/427871363.db2.gz BWFLLXZNJIZGSK-KRWDZBQOSA-N 2 0 323.525 2.687 20 0 DFADRP COc1cc(C)c(C[C@H](C)[NH2+]CCCC[NH+](C)C)cc1OC ZINC000337374030 427871627 /nfs/dbraw/zinc/87/16/27/427871627.db2.gz FNPUZARDFBKDHV-HNNXBMFYSA-N 2 0 308.466 2.875 20 0 DFADRP C[NH+]1CCC(C)(C[NH2+]Cc2nccn2Cc2ccccc2)CC1 ZINC000355781341 427888235 /nfs/dbraw/zinc/88/82/35/427888235.db2.gz WSUJBDAXUSOIDL-UHFFFAOYSA-N 2 0 312.461 2.753 20 0 DFADRP CC1CC[NH+](CCCCNc2cc(NCC3CC3)ncn2)CC1 ZINC000340013721 427901231 /nfs/dbraw/zinc/90/12/31/427901231.db2.gz FSLUJIDXHWSAGI-UHFFFAOYSA-N 2 0 317.481 3.223 20 0 DFADRP C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC000345775764 427902288 /nfs/dbraw/zinc/90/22/88/427902288.db2.gz JENALPSPENXELU-MHORFTMASA-N 2 0 323.525 2.734 20 0 DFADRP CCC[C@H](C(=O)NC[C@@H]([NH2+][C@@H](C)CC)c1ccco1)[NH+](C)C ZINC000359551140 427905391 /nfs/dbraw/zinc/90/53/91/427905391.db2.gz ZMWSGOVNSLUNGG-RRFJBIMHSA-N 2 0 309.454 2.555 20 0 DFADRP CC1CCN(C(=[NH2+])NC[C@H]2CCC[N@@H+]2Cc2ccccc2)CC1 ZINC000304126359 427916393 /nfs/dbraw/zinc/91/63/93/427916393.db2.gz OPCYXTROHVAMSX-GOSISDBHSA-N 2 0 314.477 2.907 20 0 DFADRP Cc1cc([C@H](C)[NH2+][C@H](CC(C)C)C(=O)NCC[NH+](C)C)oc1C ZINC000337463564 427917453 /nfs/dbraw/zinc/91/74/53/427917453.db2.gz LBOQPZDGKXIUJE-GOEBONIOSA-N 2 0 323.481 2.640 20 0 DFADRP CC[C@@H](C(=O)NC[C@@H](c1ccc(C)cc1)[NH+](C)C)[NH+](CC)CC ZINC000345815552 427919198 /nfs/dbraw/zinc/91/91/98/427919198.db2.gz WHBALRDGNKQADL-ROUUACIJSA-N 2 0 319.493 2.834 20 0 DFADRP C[C@@H]1CCC[N@H+](CCCCNC(=O)[C@H]2CCCC[C@@]2(C)[NH3+])C1 ZINC000345823304 427921673 /nfs/dbraw/zinc/92/16/73/427921673.db2.gz VFFPZMCHLBEOHP-JFIYKMOQSA-N 2 0 309.498 2.522 20 0 DFADRP C[C@@H]1[C@H]([NH2+]C[C@@](C)(O)C2CC2)CCCN1Cc1ccccc1 ZINC000340234943 427959915 /nfs/dbraw/zinc/95/99/15/427959915.db2.gz HBROWXXYMMZUKL-ATZDWAIDSA-N 2 0 302.462 2.790 20 0 DFADRP CC(C)[C@@H](C[NH2+][C@@H](C)c1ccc(Cl)cn1)N1CC[NH+](C)CC1 ZINC000359662340 427963040 /nfs/dbraw/zinc/96/30/40/427963040.db2.gz JRLKLZHWTTVYQI-WMLDXEAASA-N 2 0 324.900 2.658 20 0 DFADRP C[C@@H](CCCC(F)(F)F)[NH2+]C[C@@H](O)C[NH+]1CCC(C)CC1 ZINC000359662781 427963777 /nfs/dbraw/zinc/96/37/77/427963777.db2.gz LAKOPHWZCLKZOH-UONOGXRCSA-N 2 0 310.404 2.790 20 0 DFADRP CC[NH+]1CCN([C@@H](C)C[NH2+][C@H](C)CCCC(F)(F)F)CC1 ZINC000359667297 427965195 /nfs/dbraw/zinc/96/51/95/427965195.db2.gz ZXNSYWDEQWEWPA-KGLIPLIRSA-N 2 0 309.420 2.723 20 0 DFADRP CCC(C)(C)[NH2+][C@@H](C)C(=O)NC1CC[NH+](CC2CCCC2)CC1 ZINC000355973954 427968766 /nfs/dbraw/zinc/96/87/66/427968766.db2.gz XPZBFCKGEPVIRJ-HNNXBMFYSA-N 2 0 323.525 2.924 20 0 DFADRP CC[NH2+]CC1CC[NH+](Cc2ccc(OCCOC)cc2)CC1 ZINC000347005214 272710610 /nfs/dbraw/zinc/71/06/10/272710610.db2.gz BMNZVXDBKMVSDQ-UHFFFAOYSA-N 2 0 306.450 2.533 20 0 DFADRP C[C@H]1CCC[C@H](C)[NH+]1CCNC(=O)c1ccc(C[NH+](C)C)cc1 ZINC000341034947 427975332 /nfs/dbraw/zinc/97/53/32/427975332.db2.gz HPBICYZXQWEQMS-HOTGVXAUSA-N 2 0 317.477 2.741 20 0 DFADRP Cc1cccc(NC[C@H]2CCCN2Cc2nc(C3CC3)no2)n1 ZINC000369510305 427981505 /nfs/dbraw/zinc/98/15/05/427981505.db2.gz DSNBDYCHLFWFKZ-CQSZACIVSA-N 2 0 313.405 2.727 20 0 DFADRP CC[N@H+](CC(=O)N(CC[NH+]1CCCCCC1)C(C)C)C1CC1 ZINC000346000044 427981681 /nfs/dbraw/zinc/98/16/81/427981681.db2.gz NETQMZAMOGOPFX-UHFFFAOYSA-N 2 0 309.498 2.584 20 0 DFADRP Cc1ccc(-c2n[nH]cc2C[NH2+]Cc2cnc3n2CCCC3)o1 ZINC000376728613 427987729 /nfs/dbraw/zinc/98/77/29/427987729.db2.gz LOGJMXFSRMSUBL-UHFFFAOYSA-N 2 0 311.389 2.801 20 0 DFADRP CCC[NH+](CCC)CCCC(=O)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000337499974 427933956 /nfs/dbraw/zinc/93/39/56/427933956.db2.gz ALVWARBBXXVDJG-SFHVURJKSA-N 2 0 323.525 2.975 20 0 DFADRP CC[N@@H+]1C[C@@H](C)N(C(=O)Nc2cccc(C[NH+](C)C)c2)C[C@H]1C ZINC000345874543 427937106 /nfs/dbraw/zinc/93/71/06/427937106.db2.gz LFKOWTCGGONKIH-HUUCEWRRSA-N 2 0 318.465 2.695 20 0 DFADRP C[C@@H]1C[NH+](CCCC[NH2+]Cc2ccccc2N(C)C)C[C@@H](C)O1 ZINC000340175809 427945518 /nfs/dbraw/zinc/94/55/18/427945518.db2.gz QADANHWUCAXMEC-IAGOWNOFSA-N 2 0 319.493 2.732 20 0 DFADRP CC[NH+]1CCN(CCCC[NH2+][C@H](C)c2cc(C)c(C)o2)CC1 ZINC000337532825 427947992 /nfs/dbraw/zinc/94/79/92/427947992.db2.gz WIIWIYYJRKVWRJ-MRXNPFEDSA-N 2 0 307.482 2.965 20 0 DFADRP CC[C@@H]([NH2+]C[C@H]1CC[N@H+](CC)C1)c1ccc(C(=O)OC)cc1 ZINC000340188848 427949378 /nfs/dbraw/zinc/94/93/78/427949378.db2.gz QKLQEKKEZUCRJT-RHSMWYFYSA-N 2 0 304.434 2.856 20 0 DFADRP CC[NH+](CC)CCOc1ccccc1C[NH2+]C1CC(OC)C1 ZINC000347313358 272770841 /nfs/dbraw/zinc/77/08/41/272770841.db2.gz ZLEZVWDHEWSZQP-UHFFFAOYSA-N 2 0 306.450 2.674 20 0 DFADRP CCCC[N@H+](C)CC1CCN(C(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC000346132519 428029294 /nfs/dbraw/zinc/02/92/94/428029294.db2.gz BXNSPULQCFKTBP-IRXDYDNUSA-N 2 0 323.525 2.830 20 0 DFADRP C[N@@H+](Cc1cc(-n2ccnc2)cs1)C[C@@H]1CCC[NH+](C)C1 ZINC000346142281 428037315 /nfs/dbraw/zinc/03/73/15/428037315.db2.gz PAUNZHBQIQHISR-CQSZACIVSA-N 2 0 304.463 2.707 20 0 DFADRP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+]1CCC2(C1)CCOCC2 ZINC000346193361 428062536 /nfs/dbraw/zinc/06/25/36/428062536.db2.gz FWEDYQLYVIPLEW-UHFFFAOYSA-N 2 0 312.417 2.578 20 0 DFADRP Cc1cc(NC[C@@H]2CC[N@@H+](C)[C@H]2c2cccs2)nc(C)n1 ZINC000369562176 428001671 /nfs/dbraw/zinc/00/16/71/428001671.db2.gz XWGPSRQSFAJGJY-XJKSGUPXSA-N 2 0 302.447 3.260 20 0 DFADRP CCC[N@H+](CC)C[C@@H](C)NC(=O)[C@@H](c1ccccc1)[NH+](C)CC ZINC000359776133 428015030 /nfs/dbraw/zinc/01/50/30/428015030.db2.gz VQADGZMMRFRDSX-SJLPKXTDSA-N 2 0 319.493 2.916 20 0 DFADRP CC(C)[NH+]1CCC(NC(=O)C[N@@H+]2CCC3(C2)CCCCC3)CC1 ZINC000369618878 428019193 /nfs/dbraw/zinc/01/91/93/428019193.db2.gz NGJVTHRNCRMSFS-UHFFFAOYSA-N 2 0 321.509 2.632 20 0 DFADRP Cc1nc(C)c(C)c(N2C[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)n1 ZINC000359902632 428068919 /nfs/dbraw/zinc/06/89/19/428068919.db2.gz QDELIHDAVSXTPW-KDURUIRLSA-N 2 0 322.456 2.970 20 0 DFADRP C[C@@H]1C[C@H](NC[C@H]2CC[NH+](C)[C@@H]2c2ccccc2)CC[N@@H+]1C ZINC000369851615 428075210 /nfs/dbraw/zinc/07/52/10/428075210.db2.gz KFIOUIATGOGDEN-NXWXRZEISA-N 2 0 301.478 2.752 20 0 DFADRP CCC[C@H]([NH2+]C(C)C)C(=O)N[C@H](C)[C@H](c1ccccc1)[NH+](C)C ZINC000356248773 428087097 /nfs/dbraw/zinc/08/70/97/428087097.db2.gz FAVNGVCXEYYYKD-BPQIPLTHSA-N 2 0 319.493 2.961 20 0 DFADRP CC(C)(O)CC[N@@H+]1C[C@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000377316228 428103265 /nfs/dbraw/zinc/10/32/65/428103265.db2.gz LKAZBABXRVOXOZ-QZTJIDSGSA-N 2 0 302.462 2.601 20 0 DFADRP Cc1cnc(CN2C[C@@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)o1 ZINC000377337834 428108562 /nfs/dbraw/zinc/10/85/62/428108562.db2.gz QLTUFSBPLDFDCV-MSOLQXFVSA-N 2 0 311.429 2.937 20 0 DFADRP CCSCCC[NH2+][C@@H]1CC[N@H+](C[C@H]2CCCO2)C[C@H]1C ZINC000360000370 428109902 /nfs/dbraw/zinc/10/99/02/428109902.db2.gz RRIXJRWSKWSYLH-BZUAXINKSA-N 2 0 300.512 2.609 20 0 DFADRP CN(CC[C@@H]1CCCC[N@@H+]1C)Cc1nc2cccnc2s1 ZINC000341573499 428110684 /nfs/dbraw/zinc/11/06/84/428110684.db2.gz DSLPMWZHXTUQJZ-ZDUSSCGKSA-N 2 0 304.463 2.998 20 0 DFADRP CC(C)[NH+]1CCC([NH2+]CCCN(C(=O)C2CCC2)C2CC2)CC1 ZINC000341580991 428115059 /nfs/dbraw/zinc/11/50/59/428115059.db2.gz AXYVKMLCAVRCBB-UHFFFAOYSA-N 2 0 321.509 2.630 20 0 DFADRP C[C@@H]1CCCC[N@@H+]1CCNC(=O)[C@H]1CC[NH+](C2CCCCC2)C1 ZINC000360007762 428115382 /nfs/dbraw/zinc/11/53/82/428115382.db2.gz RDAYVHHMNXDLFT-SJORKVTESA-N 2 0 321.509 2.632 20 0 DFADRP C[C@@H]([NH3+])[C@H]1CC[N@H+](Cc2ccc(OCc3ccccn3)cc2)C1 ZINC000351864654 428116930 /nfs/dbraw/zinc/11/69/30/428116930.db2.gz YTBADYOSXAQKJQ-WBVHZDCISA-N 2 0 311.429 2.830 20 0 DFADRP CCN1CCC[C@H]1C[NH2+][C@H]1CCN(C(C)=O)Cc2ccccc21 ZINC000360023330 428119600 /nfs/dbraw/zinc/11/96/00/428119600.db2.gz YTTSEXPVZSNEGY-HKUYNNGSSA-N 2 0 315.461 2.554 20 0 DFADRP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+](C)CCCOC(C)C ZINC000346198284 428065439 /nfs/dbraw/zinc/06/54/39/428065439.db2.gz GDHWNKDLLDELSU-UHFFFAOYSA-N 2 0 302.422 2.823 20 0 DFADRP CC(C)[N@@H+]1CCc2nc(CN3CCCC[C@@H]3CC[NH3+])sc2C1 ZINC000352540116 428142329 /nfs/dbraw/zinc/14/23/29/428142329.db2.gz HGJUUQMUHIUREU-CQSZACIVSA-N 2 0 322.522 2.613 20 0 DFADRP C[N@@H+]1CC[C@@H](CNC(=[NH2+])N2CCCCC2)[C@H]1c1cccs1 ZINC000370160087 428146239 /nfs/dbraw/zinc/14/62/39/428146239.db2.gz FNLRGJMJXBCGQC-ZFWWWQNUSA-N 2 0 306.479 2.751 20 0 DFADRP C[C@@H]1CCC[C@@H]1CC(=O)N(CCC[NH+](C)C)CCC[NH+](C)C ZINC000346381073 428149654 /nfs/dbraw/zinc/14/96/54/428149654.db2.gz TVEJCCOOMJVPSO-IAGOWNOFSA-N 2 0 311.514 2.545 20 0 DFADRP CC[N@@H+]1CC[C@@H](N(C)Cc2nc3cccnc3s2)[C@H](C)C1 ZINC000341680777 428154681 /nfs/dbraw/zinc/15/46/81/428154681.db2.gz UWSDCEWKESKPTB-TZMCWYRMSA-N 2 0 304.463 2.853 20 0 DFADRP COc1ccc(O)cc1[C@H](C)NCc1cccnc1-n1ccnc1 ZINC000377546466 428155690 /nfs/dbraw/zinc/15/56/90/428155690.db2.gz AIIMGYVCCPHHLJ-ZDUSSCGKSA-N 2 0 324.384 2.832 20 0 DFADRP C[C@@H]([NH2+]CCN1CC[N@H+](C)C[C@H]1c1ccccc1)c1cccnc1 ZINC000370316268 428182817 /nfs/dbraw/zinc/18/28/17/428182817.db2.gz RYRHWVUGENLDCV-XLIONFOSSA-N 2 0 324.472 2.721 20 0 DFADRP C[N@H+](CC[C@@H]1CCCO1)[C@H]1CCC[NH+](CC[C@H]2CCCO2)CC1 ZINC000346424557 428164556 /nfs/dbraw/zinc/16/45/56/428164556.db2.gz CTIATEXLQDMEDU-GBESFXJTSA-N 2 0 324.509 2.911 20 0 DFADRP CC[NH+](CC)CCOC1CC[NH+](C[C@@H]2CCO[C@@H](C)C2)CC1 ZINC000352613781 428169176 /nfs/dbraw/zinc/16/91/76/428169176.db2.gz YLBAFTOSNZZMON-DLBZAZTESA-N 2 0 312.498 2.624 20 0 DFADRP CC1=CCC[C@H](C)[C@H]1C[N@@H+]1CCC[C@H](CN2CC[NH+](C)CC2)C1 ZINC000377626755 428176311 /nfs/dbraw/zinc/17/63/11/428176311.db2.gz OGTBTFOVVMCUJF-ZCNNSNEGSA-N 2 0 319.537 2.938 20 0 DFADRP Cc1ccc(C[N@@H+](C)[C@@H]2CCN(C3CC[NH+](C)CC3)C2)s1 ZINC000377623480 428177055 /nfs/dbraw/zinc/17/70/55/428177055.db2.gz FAXDQIZSYSQLKS-MRXNPFEDSA-N 2 0 307.507 2.657 20 0 DFADRP C[N@H+](CCSC(C)(C)C)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000370286377 428177415 /nfs/dbraw/zinc/17/74/15/428177415.db2.gz VEJJZBBKPNJSBT-INIZCTEOSA-N 2 0 313.555 2.618 20 0 DFADRP c1nc([C@@H]2CCC[N@@H+](CC3CCOCC3)C2)n2c1CCCC2 ZINC000370307315 428180332 /nfs/dbraw/zinc/18/03/32/428180332.db2.gz ZHELNLHEGMQGRH-MRXNPFEDSA-N 2 0 303.450 2.825 20 0 DFADRP C[C@H]([NH2+]Cc1ccccc1C[N@@H+]1CCC[C@@H]1CO)[C@H]1C[C@H]1C ZINC000414110811 428208272 /nfs/dbraw/zinc/20/82/72/428208272.db2.gz ORJICROOVAIBDW-OHQAAIJDSA-N 2 0 302.462 2.777 20 0 DFADRP CC[C@H]([NH2+]Cc1ccc(C(=O)NCC[NH+](C)C)cc1)[C@H]1C[C@@H]1C ZINC000414107837 428209020 /nfs/dbraw/zinc/20/90/20/428209020.db2.gz ZGLNBHWCDOKARE-WBAXXEDZSA-N 2 0 317.477 2.502 20 0 DFADRP COc1ccc(C[C@@H](C)[NH2+]CC2(C[NH+](C)C)CCCC2)cn1 ZINC000414126555 428214448 /nfs/dbraw/zinc/21/44/48/428214448.db2.gz DWKHVGXLDPJPAY-OAHLLOKOSA-N 2 0 305.466 2.733 20 0 DFADRP c1ccc(C[NH+]2CC[C@@H]3C[N@@H+](CC[C@H]4CCOC4)C[C@@H]3C2)cc1 ZINC000356517027 428214860 /nfs/dbraw/zinc/21/48/60/428214860.db2.gz GAPILWASZNHKMN-ZCNNSNEGSA-N 2 0 314.473 2.867 20 0 DFADRP CCN(CCO)CC[NH2+][C@H]1C[C@H](c2ccccc2)C[C@H](C)C1 ZINC000346554995 428215157 /nfs/dbraw/zinc/21/51/57/428215157.db2.gz XEWXRDJXOMUOLX-QXAKKESOSA-N 2 0 304.478 2.863 20 0 DFADRP Cc1n[nH]c(C)c1C[N@@H+]1C[C@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000356523046 428218531 /nfs/dbraw/zinc/21/85/31/428218531.db2.gz JMGQIBCESLRYRT-MOPGFXCFSA-N 2 0 324.472 2.980 20 0 DFADRP C[N@@H+]1CC[C@@H](C[NH2+]Cc2ccc(C(N)=O)cc2)[C@H]1c1ccccc1 ZINC000377761226 428218638 /nfs/dbraw/zinc/21/86/38/428218638.db2.gz LXIRMNUDDPXZOW-RBUKOAKNSA-N 2 0 323.440 2.568 20 0 DFADRP COc1ccc(C[C@@H](C)[NH2+]CC(C)(C)C[NH+]2CCCC2)cn1 ZINC000414151732 428218846 /nfs/dbraw/zinc/21/88/46/428218846.db2.gz ZCKQIWYNFRUPOO-OAHLLOKOSA-N 2 0 305.466 2.733 20 0 DFADRP C[N@@H+]1CCC[C@@H](CC[NH2+][C@H](c2ccccc2)c2ccncn2)C1 ZINC000414169065 428223204 /nfs/dbraw/zinc/22/32/04/428223204.db2.gz AWVHEDMXIYPDHJ-QFBILLFUSA-N 2 0 310.445 2.888 20 0 DFADRP C[N@@H+]1CC[C@H]2[C@@H](CCCN2Cc2cnc(C(C)(C)C)nc2)C1 ZINC000377835856 428241292 /nfs/dbraw/zinc/24/12/92/428241292.db2.gz XBKLSOJTFHDBEE-HOTGVXAUSA-N 2 0 302.466 2.690 20 0 DFADRP C[C@H]([NH2+]CCC[N@@H+]1CCC[C@H](C(N)=O)C1)C1CCCCCC1 ZINC000346605723 428236495 /nfs/dbraw/zinc/23/64/95/428236495.db2.gz NJUUDNITLBZLJY-RDJZCZTQSA-N 2 0 309.498 2.522 20 0 DFADRP C[C@H]1C[C@@H]([NH2+]CCc2cnccn2)CCN1Cc1ccccc1 ZINC000341875338 428239094 /nfs/dbraw/zinc/23/90/94/428239094.db2.gz LFYKZRFTVJHXFG-WMZOPIPTSA-N 2 0 310.445 2.662 20 0 DFADRP CC(C)[C@H](C(=O)N1CCC[C@H]1[C@H]1CCC[N@@H+]1C)[NH+]1CCCCC1 ZINC000377662072 428187343 /nfs/dbraw/zinc/18/73/43/428187343.db2.gz LVFPJNBWKOZATK-FGTMMUONSA-N 2 0 321.509 2.582 20 0 DFADRP COc1ccc([C@H](C)[NH2+]C[C@@H](C)CN2CC[NH+](C)CC2)c(C)c1 ZINC000414062752 428193881 /nfs/dbraw/zinc/19/38/81/428193881.db2.gz CBPCCSIIAWPMBA-WBVHZDCISA-N 2 0 319.493 2.538 20 0 DFADRP CCN(CC)C(=O)CN(C)C1CC[NH+](C2CCC(C)CC2)CC1 ZINC000360178015 428194352 /nfs/dbraw/zinc/19/43/52/428194352.db2.gz FPDRZXMSPIIPEU-UHFFFAOYSA-N 2 0 323.525 2.830 20 0 DFADRP C[C@@H]([NH2+]Cc1ccc(CN2CC[NH+](C)CC2)cc1)[C@@H]1C[C@H]1C ZINC000414076700 428197780 /nfs/dbraw/zinc/19/77/80/428197780.db2.gz QIALKSYJXPOFAA-GPMSIDNRSA-N 2 0 301.478 2.568 20 0 DFADRP COc1ccc(C[C@H](C)[NH2+]Cc2cccc(C[NH+](C)C)c2)cn1 ZINC000414074009 428198684 /nfs/dbraw/zinc/19/86/84/428198684.db2.gz WLJBPJCUDZVOAP-HNNXBMFYSA-N 2 0 313.445 2.873 20 0 DFADRP CC[C@@H]([NH2+]C[C@H](C)CN1CC[NH+](CC)CC1)c1ccc(F)cn1 ZINC000352685267 428204585 /nfs/dbraw/zinc/20/45/85/428204585.db2.gz SWAHRUPSNMKVCE-DOTOQJQBSA-N 2 0 322.472 2.535 20 0 DFADRP CC[N@@H+]1CC[C@H]([NH2+][C@@H]2CCN(c3ccc(F)cc3)C2)[C@@H](C)C1 ZINC000414344234 428263414 /nfs/dbraw/zinc/26/34/14/428263414.db2.gz KIVZSCKUVKEFLM-LESCRADOSA-N 2 0 305.441 2.724 20 0 DFADRP CC[C@H](C(=O)N1CCC[N@@H+](C2CCCC2)CC1)[NH+](CC)CC ZINC000346670047 428264883 /nfs/dbraw/zinc/26/48/83/428264883.db2.gz SALNGTWVLMKFAM-QGZVFWFLSA-N 2 0 309.498 2.584 20 0 DFADRP [NH3+][C@H]1CCN(Cc2cccc(OCc3ccccc3F)c2)C1 ZINC000346670392 428265986 /nfs/dbraw/zinc/26/59/86/428265986.db2.gz UQIKLPBFXVNKMI-INIZCTEOSA-N 2 0 300.377 2.938 20 0 DFADRP NC(=O)[C@H]1CCC[N@H+](CCC[NH2+]C2CCC3(CCCC3)CC2)C1 ZINC000352831104 428269627 /nfs/dbraw/zinc/26/96/27/428269627.db2.gz BXZNKGBUJXJCSU-INIZCTEOSA-N 2 0 321.509 2.666 20 0 DFADRP [NH3+]CC1CC[NH+](Cc2ccc(OCC(F)(F)F)cc2)CC1 ZINC000346686944 428273332 /nfs/dbraw/zinc/27/33/32/428273332.db2.gz LCBMQWKRNXCVNZ-UHFFFAOYSA-N 2 0 302.340 2.798 20 0 DFADRP CC1=C[C@H](C)C[C@H](C[NH2+]C2CC[NH+]([C@H]3CCC[C@H]3O)CC2)C1 ZINC000352836906 428274110 /nfs/dbraw/zinc/27/41/10/428274110.db2.gz KWPRKYLCCKMMJV-OYSPMZIOSA-N 2 0 306.494 2.946 20 0 DFADRP C[C@H]1C[C@@H](C[NH3+])C[N@@H+]1Cc1cccc(OCc2ccccn2)c1 ZINC000346693183 428274947 /nfs/dbraw/zinc/27/49/47/428274947.db2.gz LFHJBKKWOIZOLX-RDJZCZTQSA-N 2 0 311.429 2.830 20 0 DFADRP Cc1ccc(CN2CCC[C@@H](C[N@H+]3CCCC[C@H]3C)C2)nn1 ZINC000414376473 428275953 /nfs/dbraw/zinc/27/59/53/428275953.db2.gz COQMAPCRSIFAER-IAGOWNOFSA-N 2 0 302.466 2.871 20 0 DFADRP C[C@@H]1C[C@@H](C[NH3+])C[N@@H+]1Cc1cccc(OCC(F)(F)F)c1 ZINC000346694597 428277023 /nfs/dbraw/zinc/27/70/23/428277023.db2.gz VBCWJSZBRRCRNO-YPMHNXCESA-N 2 0 302.340 2.797 20 0 DFADRP C[C@@H]1C[C@H](C[NH3+])C[N@@H+]1Cc1ccc(OCC(F)(F)F)cc1 ZINC000346694081 428277393 /nfs/dbraw/zinc/27/73/93/428277393.db2.gz RTVTYJGTRXBMFV-DGCLKSJQSA-N 2 0 302.340 2.797 20 0 DFADRP C[C@@H]([NH3+])[C@@H]1CC[N@H+](Cc2ccccc2OCc2ccccn2)C1 ZINC000346692537 428277644 /nfs/dbraw/zinc/27/76/44/428277644.db2.gz ZSVNDWAVDNDHCU-HZPDHXFCSA-N 2 0 311.429 2.830 20 0 DFADRP Cc1cccc(C[N@@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@@H](C)C2)c1C ZINC000370707024 428278926 /nfs/dbraw/zinc/27/89/26/428278926.db2.gz NOCYSFVQCWNMTC-FXAWDEMLSA-N 2 0 315.505 2.761 20 0 DFADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NCC[NH+]1CCCCC1 ZINC000346616878 428242877 /nfs/dbraw/zinc/24/28/77/428242877.db2.gz PHSJGUIAHVPVSN-UYAOXDASSA-N 2 0 315.505 2.973 20 0 DFADRP Cc1cc(N[C@H]2CCCN(c3cc(C)nc(C)n3)C2)nc(C)n1 ZINC000377836802 428243338 /nfs/dbraw/zinc/24/33/38/428243338.db2.gz FVQDREYABFTCID-HNNXBMFYSA-N 2 0 312.421 2.581 20 0 DFADRP CCCC[N@H+](C)C[C@H](C)NC(=O)[C@H]1CCC[NH+]1C1CCCC1 ZINC000356607742 428252657 /nfs/dbraw/zinc/25/26/57/428252657.db2.gz YEJXJUWBDXVYJM-DOTOQJQBSA-N 2 0 309.498 2.630 20 0 DFADRP COc1ccc(C[N@@H+]2CC[C@H]([C@@H](C)[NH3+])C2)cc1OCC(C)C ZINC000346646609 428253652 /nfs/dbraw/zinc/25/36/52/428253652.db2.gz OQHKFULNUBMGCY-ZBFHGGJFSA-N 2 0 306.450 2.899 20 0 DFADRP Cn1ccnc1[C@H]1CCN(Cc2ccc(Br)o2)C1 ZINC000377890914 428255116 /nfs/dbraw/zinc/25/51/16/428255116.db2.gz ZBENZIFUYFPGIQ-JTQLQIEISA-N 2 0 310.195 2.765 20 0 DFADRP C[NH+](C)CCN1CCC([NH2+]C/C=C\c2ccc(F)c(F)c2)CC1 ZINC000352812526 428260508 /nfs/dbraw/zinc/26/05/08/428260508.db2.gz FZCWGPXYZMEYIR-ARJAWSKDSA-N 2 0 323.431 2.594 20 0 DFADRP CC[NH+](CC)[C@H](CNC(=O)[C@]1(CC)CC[NH2+]C1)c1ccsc1 ZINC000370847311 428308144 /nfs/dbraw/zinc/30/81/44/428308144.db2.gz RAGNYQMEQVZSOW-NVXWUHKLSA-N 2 0 323.506 2.637 20 0 DFADRP COC[C@@H](Cc1ccccc1)[NH2+]C1CC[NH+](C2CCC2)CC1 ZINC000360494146 428320321 /nfs/dbraw/zinc/32/03/21/428320321.db2.gz CAVBHLPTEVPQPQ-GOSISDBHSA-N 2 0 302.462 2.851 20 0 DFADRP Cc1cc[nH+]c(NC[C@@H]2CCN(CC[NH+]3CCC(C)CC3)C2)c1 ZINC000378167632 428323403 /nfs/dbraw/zinc/32/34/03/428323403.db2.gz BGEUALRJCISRJN-SFHVURJKSA-N 2 0 316.493 2.856 20 0 DFADRP CO[C@@](C)([C@H](C)[NH2+]Cc1cn(-c2cc[nH+]cc2)nc1C)C1CC1 ZINC000414504393 428324573 /nfs/dbraw/zinc/32/45/73/428324573.db2.gz SLNJMWABFAJVRZ-KSSFIOAISA-N 2 0 314.433 2.869 20 0 DFADRP COc1ccc(OCCC[N@@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)cc1 ZINC000342152816 428325727 /nfs/dbraw/zinc/32/57/27/428325727.db2.gz YTBLABFXXBXGIE-JCGIZDLHSA-N 2 0 304.434 2.523 20 0 DFADRP C[C@@H]([NH2+]C[C@@H]1CCCN(Cc2cccnc2)C1)C1CCOCC1 ZINC000378169644 428326677 /nfs/dbraw/zinc/32/66/77/428326677.db2.gz PQMHVIGHNPAIDH-AEFFLSMTSA-N 2 0 317.477 2.698 20 0 DFADRP Cc1nn(-c2cc[nH+]cc2)cc1CN(CC[NH3+])Cc1ccccc1 ZINC000346815707 428329770 /nfs/dbraw/zinc/32/97/70/428329770.db2.gz DPQBUKZBVBGGTA-UHFFFAOYSA-N 2 0 321.428 2.537 20 0 DFADRP [NH3+][C@@H]1CCC[C@H]2C[N@H+](Cc3cnc(-c4ccccn4)s3)C[C@@H]21 ZINC000346816321 428330425 /nfs/dbraw/zinc/33/04/25/428330425.db2.gz AIEJYFCFJNLPND-AEGPPILISA-N 2 0 314.458 2.764 20 0 DFADRP COCCCOc1cccc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)c1 ZINC000346826688 428335257 /nfs/dbraw/zinc/33/52/57/428335257.db2.gz MAMGBGLPXPSRQI-WDSOQIARSA-N 2 0 318.461 2.661 20 0 DFADRP COc1ccc([C@H]2CCC[N@@H+]2C[C@@H]2CCC[NH2+]C2)c(OC)c1 ZINC000346830154 428338294 /nfs/dbraw/zinc/33/82/94/428338294.db2.gz KAULAGWDPZSCNJ-RHSMWYFYSA-N 2 0 304.434 2.840 20 0 DFADRP c1cc2c(cc1[C@H]1CCC[N@H+]1C[C@H]1CCC[NH2+]C1)OCCO2 ZINC000346852475 428344222 /nfs/dbraw/zinc/34/42/22/428344222.db2.gz RREIUBRDAFQSSR-GOEBONIOSA-N 2 0 302.418 2.594 20 0 DFADRP CC(C)CSCCC[N@@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@H]21 ZINC000378248764 428345465 /nfs/dbraw/zinc/34/54/65/428345465.db2.gz ZXGRQFAXQHESDA-BRWVUGGUSA-N 2 0 314.539 2.949 20 0 DFADRP Cc1nn(-c2ccccc2)cc1C[N@@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000346851266 428346006 /nfs/dbraw/zinc/34/60/06/428346006.db2.gz VOUWFJUJISYCOX-IPELMVKDSA-N 2 0 310.445 2.740 20 0 DFADRP Cc1cc(C)n(-c2ccc(C[N@@H+]3CC[C@@]4(CC[NH2+]C4)C3)cc2)n1 ZINC000360558984 428347685 /nfs/dbraw/zinc/34/76/85/428347685.db2.gz ACIQZMAKRBWKRL-LJQANCHMSA-N 2 0 310.445 2.675 20 0 DFADRP CCc1cccnc1[C@H](C)[NH2+]CCCC[N@@H+]1CCC[C@@H]1CO ZINC000356887502 428349916 /nfs/dbraw/zinc/34/99/16/428349916.db2.gz YOWYGPGAWFLSJL-DOTOQJQBSA-N 2 0 305.466 2.532 20 0 DFADRP CC(C)(C)c1ccccc1NC(=O)CN1CC[C@]2(CC[NH2+]C2)C1 ZINC000360568370 428352014 /nfs/dbraw/zinc/35/20/14/428352014.db2.gz JZMJVPTVGKBCSU-IBGZPJMESA-N 2 0 315.461 2.608 20 0 DFADRP Cc1noc(C)c1C(C)(C)NCc1ncc(CN(C)C)s1 ZINC000353115760 428389160 /nfs/dbraw/zinc/38/91/60/428389160.db2.gz FAQVIAVWWKDBJT-UHFFFAOYSA-N 2 0 308.451 2.834 20 0 DFADRP Cc1nn(Cc2ccccc2)c(C)c1CN1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000357106990 428390082 /nfs/dbraw/zinc/39/00/82/428390082.db2.gz RMCGEEVLWMTERC-RTBURBONSA-N 2 0 324.472 2.590 20 0 DFADRP FC(F)(F)c1ccn(C2CC[NH+](C[C@@H]3CCC[NH2+]C3)CC2)n1 ZINC000346972544 428390609 /nfs/dbraw/zinc/39/06/09/428390609.db2.gz HUJDUFWLHGFAEC-GFCCVEGCSA-N 2 0 316.371 2.538 20 0 DFADRP Cc1csc(NC2CC[NH+](C[C@H]3CC[NH2+][C@@H](C)C3)CC2)n1 ZINC000414740526 428390895 /nfs/dbraw/zinc/39/08/95/428390895.db2.gz GPWCTWAIZWOYFC-JSGCOSHPSA-N 2 0 308.495 2.716 20 0 DFADRP CC[N@@H+](Cc1ccc(C(=O)N(C)C)cc1)C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000414735026 428390970 /nfs/dbraw/zinc/39/09/70/428390970.db2.gz BVCZDKCXCJTDSF-NVXWUHKLSA-N 2 0 317.477 2.598 20 0 DFADRP COC(=O)[C@@H]1CC[C@@H](c2ccccc2)[N@@H+]1C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000414751220 428393625 /nfs/dbraw/zinc/39/36/25/428393625.db2.gz AAMGUXZLMNCWPH-LMSBXDPUSA-N 2 0 316.445 2.753 20 0 DFADRP C[C@@H]1C[C@@H](C[N@H+](CCc2ccccn2)Cc2cccnc2)CC[NH2+]1 ZINC000414761074 428394639 /nfs/dbraw/zinc/39/46/39/428394639.db2.gz ZZWGUEUMANUAMT-MSOLQXFVSA-N 2 0 324.472 2.909 20 0 DFADRP C[C@H]1C[C@@H](C[N@H+](CCc2ccccn2)Cc2cccnc2)CC[NH2+]1 ZINC000414761077 428394737 /nfs/dbraw/zinc/39/47/37/428394737.db2.gz ZZWGUEUMANUAMT-ROUUACIJSA-N 2 0 324.472 2.909 20 0 DFADRP C[N@H+](Cc1ccccc1)CC(C)(C)CN1CC[NH2+]C[C@@](C)(F)C1 ZINC000414764487 428399357 /nfs/dbraw/zinc/39/93/57/428399357.db2.gz DMWZDNMECSQXRS-LJQANCHMSA-N 2 0 321.484 2.778 20 0 DFADRP [NH3+][C@@H]1CCO[C@H]1C1CC[NH+](Cc2ccc(Cl)s2)CC1 ZINC000414774457 428399720 /nfs/dbraw/zinc/39/97/20/428399720.db2.gz BCVIYOTXXSKLJJ-OCCSQVGLSA-N 2 0 300.855 2.730 20 0 DFADRP C[C@H](C[N@@H+]1C[C@@H](C[NH3+])C2(C1)CCOCC2)c1ccc(F)cc1 ZINC000414774058 428400324 /nfs/dbraw/zinc/40/03/24/428400324.db2.gz FDPLXHZQGAUMCE-GDBMZVCRSA-N 2 0 306.425 2.617 20 0 DFADRP C[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+]CCc2cnccn2)CC1 ZINC000378504127 428414261 /nfs/dbraw/zinc/41/42/61/428414261.db2.gz BKBBMVYTWJPYOR-CRAIPNDOSA-N 2 0 302.466 2.652 20 0 DFADRP CCCOc1cccc(C[N@@H+]2C[C@H](C[NH3+])C3(C2)CCOCC3)c1 ZINC000414794688 428414327 /nfs/dbraw/zinc/41/43/27/428414327.db2.gz VQOQAXURKWYBAM-KRWDZBQOSA-N 2 0 318.461 2.663 20 0 DFADRP CCCc1cccc(C[N@@H+]2C[C@H](C[NH3+])C3(C2)CCOCC3)c1 ZINC000414776283 428404765 /nfs/dbraw/zinc/40/47/65/428404765.db2.gz GXAZDSZBYCHGIU-SFHVURJKSA-N 2 0 302.462 2.826 20 0 DFADRP c1nn(Cc2ccccc2)cc1C[N@@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000414780630 428404929 /nfs/dbraw/zinc/40/49/29/428404929.db2.gz LUKJVLCUHONJQC-PMACEKPBSA-N 2 0 324.472 2.753 20 0 DFADRP COC(=O)C[C@](C)(NCC[C@@H]1CCC[N@@H+]1C)c1cccc(F)c1 ZINC000353152528 428405331 /nfs/dbraw/zinc/40/53/31/428405331.db2.gz XFNMDICJPZKIPO-WMZOPIPTSA-N 2 0 322.424 2.678 20 0 DFADRP Cc1ccc([C@H]2CCC[C@H]2[NH2+]CCCN2CC[NH2+]CC2)cc1 ZINC000414782357 428407415 /nfs/dbraw/zinc/40/74/15/428407415.db2.gz OQMYPIZNWJOJMB-RTBURBONSA-N 2 0 301.478 2.516 20 0 DFADRP CCc1cccc(F)c1C[N@@H+]1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000414784283 428408117 /nfs/dbraw/zinc/40/81/17/428408117.db2.gz RCSROJNVYAFHLA-HNNXBMFYSA-N 2 0 306.425 2.575 20 0 DFADRP COc1ccc(C[NH2+]Cc2ccc(-n3ccnc3)cc2)c(OC)n1 ZINC000353156375 428409416 /nfs/dbraw/zinc/40/94/16/428409416.db2.gz SHSUVJZFTONPLV-UHFFFAOYSA-N 2 0 324.384 2.574 20 0 DFADRP CCn1nc(C[N@@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)c2ccccc21 ZINC000414788179 428410161 /nfs/dbraw/zinc/41/01/61/428410161.db2.gz WJODZWNKFQMYJY-HOTGVXAUSA-N 2 0 312.461 2.878 20 0 DFADRP C[C@H](Cc1ccc(Br)c(F)c1)[NH2+]C1CC[NH2+]CC1 ZINC000414786556 428410833 /nfs/dbraw/zinc/41/08/33/428410833.db2.gz XDMPUDJQFLWXAZ-SNVBAGLBSA-N 2 0 315.230 2.861 20 0 DFADRP COc1cc2c(c(C[NH+]3CCC([C@H](C)[NH3+])CC3)c1)O[C@@H](C)C2 ZINC000347025428 428410829 /nfs/dbraw/zinc/41/08/29/428410829.db2.gz SDTRBBLZWZNQTB-STQMWFEESA-N 2 0 304.434 2.578 20 0 DFADRP [NH3+]C[C@H]1CCCC[C@@H]1[NH2+]Cc1cnn(Cc2ccc(F)cc2)c1 ZINC000414794878 428412197 /nfs/dbraw/zinc/41/21/97/428412197.db2.gz GBBPJTIKFBOYBD-AEFFLSMTSA-N 2 0 316.424 2.678 20 0 DFADRP Cc1ccccc1C1(C[NH2+][C@@H]2CC[N@@H+](C)C[C@H]2C)CCOCC1 ZINC000360582348 428356671 /nfs/dbraw/zinc/35/66/71/428356671.db2.gz QGDMOPOFAITONE-IEBWSBKVSA-N 2 0 316.489 2.973 20 0 DFADRP C[C@@H]([NH2+][C@H]1CCN(C2CC[NH+](C)CC2)C1)c1ccc(Cl)nc1 ZINC000378297361 428357344 /nfs/dbraw/zinc/35/73/44/428357344.db2.gz XLVFLFALBCZTAQ-HIFRSBDPSA-N 2 0 322.884 2.554 20 0 DFADRP [NH3+]C1(c2noc(-c3ccccc3CC3CC[NH2+]CC3)n2)CCC1 ZINC000414628436 428357596 /nfs/dbraw/zinc/35/75/96/428357596.db2.gz OKJJGJNZXVPBKP-UHFFFAOYSA-N 2 0 312.417 2.617 20 0 DFADRP COc1ccc(C[NH2+][C@H]2CCC[C@@H]2C[NH3+])cc1OCC(C)C ZINC000414794755 428413308 /nfs/dbraw/zinc/41/33/08/428413308.db2.gz MCTSXQBCVCRDFE-CVEARBPZSA-N 2 0 306.450 2.947 20 0 DFADRP CC(C)CC[NH+]1CCC(CNC(=O)CC2CC[NH+](C)CC2)CC1 ZINC000346903077 428365617 /nfs/dbraw/zinc/36/56/17/428365617.db2.gz VVTKKAWGGBIUKR-UHFFFAOYSA-N 2 0 323.525 2.593 20 0 DFADRP Cc1nn(-c2cccc(F)c2)cc1C[N@H+]1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000414660396 428367753 /nfs/dbraw/zinc/36/77/53/428367753.db2.gz NZJYNIVJLKYDQI-ZFWWWQNUSA-N 2 0 316.424 2.879 20 0 DFADRP CC[C@@H]1CCC[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)N3CC(=O)N(C)C)C1 ZINC000353051599 428368765 /nfs/dbraw/zinc/36/87/65/428368765.db2.gz ZIJAKRCHORWFKZ-VUCRHFMTSA-N 2 0 321.509 2.628 20 0 DFADRP CC(C)C[C@H]([NH3+])CN(C)[C@@H](C)c1ccc(-n2cncn2)cc1 ZINC000414673100 428371263 /nfs/dbraw/zinc/37/12/63/428371263.db2.gz QFXKXEPMCDTBCO-HOCLYGCPSA-N 2 0 301.438 2.634 20 0 DFADRP C[C@@H]1C[C@H](C[N@@H+]2CCC[C@@H]2c2ccc3c(c2)OCCO3)CC[NH2+]1 ZINC000414681366 428372671 /nfs/dbraw/zinc/37/26/71/428372671.db2.gz OXUTZSDTNSCNNR-BFYDXBDKSA-N 2 0 316.445 2.983 20 0 DFADRP COc1ccc(C[N@@H+]2CCCN(C[C@H]([NH3+])CC(C)C)CC2)cc1 ZINC000414675552 428372888 /nfs/dbraw/zinc/37/28/88/428372888.db2.gz TZRHLKCUFLHDED-GOSISDBHSA-N 2 0 319.493 2.576 20 0 DFADRP CC[N@H+](C[C@@H]1CC[NH2+][C@H](C)C1)[C@@H]1CCN(c2ccccc2)C1=O ZINC000414693865 428378713 /nfs/dbraw/zinc/37/87/13/428378713.db2.gz MMJGRZXZBAABAW-JFIYKMOQSA-N 2 0 315.461 2.502 20 0 DFADRP C[C@@H]1C[C@H](C[N@@H+]2CCC[C@@H](C[NH+]3CCCCCC3)C2)CC[NH2+]1 ZINC000414692778 428379080 /nfs/dbraw/zinc/37/90/80/428379080.db2.gz LQHKWOACJQAWPG-QRVBRYPASA-N 3 0 307.526 2.963 20 0 DFADRP C[C@@H]1C[C@H](C[N@@H+]2CCO[C@@H](CCc3ccccc3)C2)CC[NH2+]1 ZINC000414702401 428381336 /nfs/dbraw/zinc/38/13/36/428381336.db2.gz BJIVGDKPAZXEDY-QRQLOZEOSA-N 2 0 302.462 2.708 20 0 DFADRP Cc1ccc(C[N@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@@H]32)cc1C ZINC000378368241 428381423 /nfs/dbraw/zinc/38/14/23/428381423.db2.gz GHEZQEWTWCPZGN-CEXWTWQISA-N 2 0 302.462 2.987 20 0 DFADRP C[C@H]1C[C@@H](C[N@H+](C)CC2CCN(c3cc[nH+]cc3)CC2)CC[NH2+]1 ZINC000414704222 428381938 /nfs/dbraw/zinc/38/19/38/428381938.db2.gz CZGVNHDTGBVGME-WMZOPIPTSA-N 2 0 316.493 2.618 20 0 DFADRP CC[N@@H+](CC(=O)Nc1c(C)cccc1C)C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000414713058 428382894 /nfs/dbraw/zinc/38/28/94/428382894.db2.gz UVGUAIDDQQVXAU-IAGOWNOFSA-N 2 0 317.477 2.952 20 0 DFADRP Cc1ccc(NC(=O)C[NH+]2CCC([C@@H]3CC[NH2+]C3)CC2)c(C)c1 ZINC000357092709 428385189 /nfs/dbraw/zinc/38/51/89/428385189.db2.gz XIDSAZIKNFZAQR-QGZVFWFLSA-N 2 0 315.461 2.563 20 0 DFADRP C[NH2+]CCC[NH2+]Cc1c[nH]nc1-c1ccc(C(F)(F)F)cc1 ZINC000414859357 428434615 /nfs/dbraw/zinc/43/46/15/428434615.db2.gz MPXMMHIBQIQGOG-UHFFFAOYSA-N 2 0 312.339 2.795 20 0 DFADRP CSC1(C[NH2+][C@@H]2CCc3ccccc3C2)CC[NH+](C)CC1 ZINC000353217543 428435813 /nfs/dbraw/zinc/43/58/13/428435813.db2.gz HZQBNGZJNWRWAN-QGZVFWFLSA-N 2 0 304.503 2.961 20 0 DFADRP COc1ccc(C[NH2+]CC[C@@H]2CCC[NH2+]C2)c(OC(F)F)c1 ZINC000414856314 428435846 /nfs/dbraw/zinc/43/58/46/428435846.db2.gz YRLGHWFAWXDFBK-LBPRGKRZSA-N 2 0 314.376 2.776 20 0 DFADRP C[NH2+]CCC[NH2+][C@@H](C)CC(=O)Nc1ccccc1C(F)(F)F ZINC000414859306 428436120 /nfs/dbraw/zinc/43/61/20/428436120.db2.gz MEQUHGYBHZYVBO-NSHDSACASA-N 2 0 317.355 2.622 20 0 DFADRP Cc1ccc(NC(=O)C[C@@H](C)N[C@@H]2CCC[NH2+]C2)cc1Cl ZINC000414866483 428438123 /nfs/dbraw/zinc/43/81/23/428438123.db2.gz MZGJGBMEBWRQGO-TZMCWYRMSA-N 2 0 309.841 2.707 20 0 DFADRP c1ccc2c(c1)C=C(CN1C[C@@H]3C[N@@H+]4CCCC[C@H]4[C@@H]3C1)CO2 ZINC000360791575 428439461 /nfs/dbraw/zinc/43/94/61/428439461.db2.gz OGAYEABNTQUEBN-QRVBRYPASA-N 2 0 310.441 2.879 20 0 DFADRP CCC[NH2+]CCNC1CCN(C(=O)c2ccccc2Cl)CC1 ZINC000414871519 428441220 /nfs/dbraw/zinc/44/12/20/428441220.db2.gz ODQOKARVJLQVTB-UHFFFAOYSA-N 2 0 323.868 2.534 20 0 DFADRP c1cn(-c2ccc(C[NH2+]CCCNCc3cccnc3)cc2)cn1 ZINC000414877315 428442098 /nfs/dbraw/zinc/44/20/98/428442098.db2.gz MAOGFJUNUGQTTQ-UHFFFAOYSA-N 3 0 321.428 2.537 20 0 DFADRP CC(C)C[C@H](CO)[NH2+][C@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000357224949 428442975 /nfs/dbraw/zinc/44/29/75/428442975.db2.gz BZGCVAFMKFDBLW-BHIYHBOVSA-N 2 0 304.478 2.894 20 0 DFADRP C[C@H]1CN(Cc2ccccc2)C[C@@H]1[NH2+]CCOC(F)(F)F ZINC000353237810 428445096 /nfs/dbraw/zinc/44/50/96/428445096.db2.gz OCSGOIRLDAOJAE-JSGCOSHPSA-N 2 0 302.340 2.633 20 0 DFADRP C[C@@H](CC(=O)N(C)Cc1ccccc1Cl)[NH2+]CC1([NH3+])CCC1 ZINC000414881810 428445324 /nfs/dbraw/zinc/44/53/24/428445324.db2.gz SUWPHMFZQYLSLU-ZDUSSCGKSA-N 2 0 323.868 2.548 20 0 DFADRP CC(C)[N@H+](C)CCN[C@@H](C)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000357229660 428446098 /nfs/dbraw/zinc/44/60/98/428446098.db2.gz IHWHLZFJQONBFP-PKOBYXMFSA-N 2 0 303.494 2.827 20 0 DFADRP COc1ccc(C[NH2+]C[C@@H](C)C[NH3+])cc1OCc1ccccc1 ZINC000414886397 428447793 /nfs/dbraw/zinc/44/77/93/428447793.db2.gz YABZYMTZXSCHJR-HNNXBMFYSA-N 2 0 314.429 2.959 20 0 DFADRP C[C@@H](Cc1ccc(Br)cc1F)[NH2+]C[C@H]([NH3+])C1CC1 ZINC000414895569 428448857 /nfs/dbraw/zinc/44/88/57/428448857.db2.gz XWPHEBMHRJQUEE-XPTSAGLGSA-N 2 0 315.230 2.846 20 0 DFADRP Cc1ccc(Cl)cc1NC(=O)C[C@H](C)[NH2+]C[C@H]([NH3+])C1CC1 ZINC000414895655 428449316 /nfs/dbraw/zinc/44/93/16/428449316.db2.gz YLNKKSREWJHHRJ-FZMZJTMJSA-N 2 0 309.841 2.692 20 0 DFADRP C[C@H]1[NH2+]CCC[C@@H]1C(=O)NCC1([NH+]2CCCCC2)CCCCC1 ZINC000342759243 428449350 /nfs/dbraw/zinc/44/93/50/428449350.db2.gz XFPBFQCQUHMZFI-SJORKVTESA-N 2 0 321.509 2.680 20 0 DFADRP Clc1ccc(CN2CCC([NH2+]C[C@H]3CC[NH2+]C3)CC2)cc1 ZINC000414898692 428449640 /nfs/dbraw/zinc/44/96/40/428449640.db2.gz BVVNOISEJPIVKK-HNNXBMFYSA-N 2 0 307.869 2.504 20 0 DFADRP C[C@@H](Cc1ccc(Br)cc1F)[NH2+]C[C@@H]([NH3+])C1CC1 ZINC000414895567 428449657 /nfs/dbraw/zinc/44/96/57/428449657.db2.gz XWPHEBMHRJQUEE-LKFCYVNXSA-N 2 0 315.230 2.846 20 0 DFADRP C[C@@H](CC[NH3+])[NH2+]Cc1cn(-c2ccccc2)nc1-c1ccncc1 ZINC000414895145 428449878 /nfs/dbraw/zinc/44/98/78/428449878.db2.gz MLEJKEQCOJYIMH-HNNXBMFYSA-N 2 0 321.428 2.761 20 0 DFADRP C[C@H]([NH2+][C@@H]1CCc2n[nH]cc2C1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000357240510 428450866 /nfs/dbraw/zinc/45/08/66/428450866.db2.gz VHPRAQLQXCBYOH-VDZJLULYSA-N 2 0 324.472 2.767 20 0 DFADRP c1ccc(C[N@H+]2C[C@@H]3CC[C@@H](NCC[C@H]4CCC[NH2+]4)[C@H]3C2)cc1 ZINC000414902458 428451279 /nfs/dbraw/zinc/45/12/79/428451279.db2.gz IDAWQYYWNLUFKO-ZGXWSNOMSA-N 2 0 313.489 2.629 20 0 DFADRP Cc1nn(Cc2ccccc2)c(C)c1C[NH2+][C@@H]1CCC[C@@H]([NH3+])C1 ZINC000414908262 428452715 /nfs/dbraw/zinc/45/27/15/428452715.db2.gz BEFCHZHXKAXZPS-QZTJIDSGSA-N 2 0 312.461 2.908 20 0 DFADRP Cc1ccccc1NC(=O)C[C@H](C)[NH2+]C[C@@]1(C)CCC[NH2+]C1 ZINC000414904039 428453195 /nfs/dbraw/zinc/45/31/95/428453195.db2.gz JLQLXZHINLSDED-YJBOKZPZSA-N 2 0 303.450 2.691 20 0 DFADRP COc1ccc(C[NH2+][C@H]2CCC[NH2+]CC2)cc1OC(F)F ZINC000414920467 428456657 /nfs/dbraw/zinc/45/66/57/428456657.db2.gz XTDGORWFKVVASV-LBPRGKRZSA-N 2 0 300.349 2.528 20 0 DFADRP C[C@]1(CNC2CC[NH+](CCc3ccccc3)CC2)CCC[NH2+]C1 ZINC000414920370 428456708 /nfs/dbraw/zinc/45/67/08/428456708.db2.gz ZENNVEBBDQLGDS-FQEVSTJZSA-N 2 0 315.505 2.673 20 0 DFADRP C[C@@H]1CC[NH2+]C[C@@H]1N[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000414925373 428459304 /nfs/dbraw/zinc/45/93/04/428459304.db2.gz JMYCNDSUAAGHTJ-NEPXVJNWSA-N 2 0 301.478 2.627 20 0 DFADRP COc1ccc(C[NH2+][C@H]2CCC[C@@H]([NH3+])C2)c(OC(F)F)c1 ZINC000414929640 428459436 /nfs/dbraw/zinc/45/94/36/428459436.db2.gz RWILLLFULMUYQG-NEPJUHHUSA-N 2 0 300.349 2.656 20 0 DFADRP C[C@@H]1C[C@H]([NH2+]Cc2c[nH]nc2-c2c(F)cccc2F)CC[NH2+]1 ZINC000414957195 428470791 /nfs/dbraw/zinc/47/07/91/428470791.db2.gz VWCXGOPVOYXWSJ-ZYHUDNBSSA-N 2 0 306.360 2.585 20 0 DFADRP CCc1ccccc1NC(=O)C[C@H](C)[NH2+][C@H]1CC[NH2+][C@@H](C)C1 ZINC000414943669 428466796 /nfs/dbraw/zinc/46/67/96/428466796.db2.gz FRSSGRMOPALYAK-DZKIICNBSA-N 2 0 303.450 2.696 20 0 DFADRP C[C@H]1C[NH2+]CC[C@H]1[NH2+]Cc1cccc(OCc2ccccn2)c1 ZINC000414951594 428467939 /nfs/dbraw/zinc/46/79/39/428467939.db2.gz HOXBRTIOGUGRMB-HNAYVOBHSA-N 2 0 311.429 2.748 20 0 DFADRP COc1ccc(C[NH2+][C@@H]2CCC[C@@H]2C[NH3+])cc1OC(F)F ZINC000414797794 428415724 /nfs/dbraw/zinc/41/57/24/428415724.db2.gz PNXNTRYXSRIDCH-VXGBXAGGSA-N 2 0 300.349 2.514 20 0 DFADRP COC(=O)c1ccc(Cl)c(C[NH2+][C@@H]2CCCC[C@@H]2C[NH3+])c1 ZINC000414803275 428416689 /nfs/dbraw/zinc/41/66/89/428416689.db2.gz NNYVWFFYALCPAZ-IUODEOHRSA-N 2 0 310.825 2.734 20 0 DFADRP C[C@@H]([NH3+])C1CC[NH+](Cc2cnn(-c3ccc(F)cc3)c2)CC1 ZINC000347039420 428417924 /nfs/dbraw/zinc/41/79/24/428417924.db2.gz JFQLTTDTFMVYRZ-CYBMUJFWSA-N 2 0 302.397 2.571 20 0 DFADRP COc1cc(C[NH2+]Cc2ccc([C@H](C)[NH3+])cc2)cc(OC)c1O ZINC000414817806 428420584 /nfs/dbraw/zinc/42/05/84/428420584.db2.gz TXNZNMNYHHCMOF-LBPRGKRZSA-N 2 0 316.401 2.719 20 0 DFADRP C[C@H]([NH3+])CC[NH2+]Cc1cccc(Br)c1OC(F)F ZINC000414820443 428420742 /nfs/dbraw/zinc/42/07/42/428420742.db2.gz JJFHFJZZPLJBQN-QMMMGPOBSA-N 2 0 323.181 2.877 20 0 DFADRP C[C@@H]([NH3+])c1ccc(C[NH2+]C2CCN(C(=O)C(C)(C)C)CC2)cc1 ZINC000414816039 428421200 /nfs/dbraw/zinc/42/12/00/428421200.db2.gz YZJBSRIQIYGRBK-CQSZACIVSA-N 2 0 317.477 2.833 20 0 DFADRP [NH3+]C[C@@H]1CCCC[C@H]1NC1CC[NH+](CCc2ccccc2)CC1 ZINC000414815107 428421504 /nfs/dbraw/zinc/42/15/04/428421504.db2.gz ZYGBQWFXBSDRIM-AZUAARDMSA-N 3 0 315.505 2.801 20 0 DFADRP Cc1ccc(Cl)cc1NC(=O)C[C@H](C)[NH2+]C[C@H]1CCC[NH2+]C1 ZINC000414824891 428423795 /nfs/dbraw/zinc/42/37/95/428423795.db2.gz GHFHZYVKNBZEDO-KBPBESRZSA-N 2 0 323.868 2.955 20 0 DFADRP [NH3+][C@@H](CNC1CC[NH+](CCC(F)(F)F)CC1)c1ccccc1 ZINC000414827840 428425232 /nfs/dbraw/zinc/42/52/32/428425232.db2.gz HYGYRMAFGBBNRO-HNNXBMFYSA-N 2 0 315.383 2.693 20 0 DFADRP CCc1ccccc1NC(=O)C[C@H](C)[NH2+]C[C@@H]1CCC[NH2+]C1 ZINC000414826902 428425859 /nfs/dbraw/zinc/42/58/59/428425859.db2.gz JXYREXZNOCAZNN-LSDHHAIUSA-N 2 0 303.450 2.555 20 0 DFADRP C[NH+](C)[C@@H]1CCc2ccccc2[C@@H]1N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000360758267 428426279 /nfs/dbraw/zinc/42/62/79/428426279.db2.gz GCKRYMIMYZFUFM-CUDHKJQZSA-N 2 0 313.489 2.821 20 0 DFADRP C[C@H]1C[N@H+](Cc2cccc(OCc3ccccn3)c2)CC[C@@H]1[NH3+] ZINC000347056410 428428815 /nfs/dbraw/zinc/42/88/15/428428815.db2.gz VBMXFZUCSJIVKN-KXBFYZLASA-N 2 0 311.429 2.830 20 0 DFADRP C[C@H]1C[N@H+](Cc2cccc(OCc3ccccn3)c2)CC[C@H]1[NH3+] ZINC000347056408 428429315 /nfs/dbraw/zinc/42/93/15/428429315.db2.gz VBMXFZUCSJIVKN-HNAYVOBHSA-N 2 0 311.429 2.830 20 0 DFADRP CCOc1ccc(C[NH2+]CC[C@H]2CCC[NH2+]C2)cc1OCC ZINC000414843098 428429428 /nfs/dbraw/zinc/42/94/28/428429428.db2.gz BVWJKYAUVZDANU-OAHLLOKOSA-N 2 0 306.450 2.963 20 0 DFADRP Cc1ccc(NC(=O)C[C@@H](C)[NH2+]C[C@@H]2CCC[NH2+]C2)c(Cl)c1 ZINC000414837004 428429908 /nfs/dbraw/zinc/42/99/08/428429908.db2.gz VHWIMURDDCHURF-ZIAGYGMSSA-N 2 0 323.868 2.955 20 0 DFADRP c1csc(N2CCC([NH2+]CCC[NH+]3CCCCC3)CC2)n1 ZINC000378572292 428430582 /nfs/dbraw/zinc/43/05/82/428430582.db2.gz WTLQKGUFNZFPOU-UHFFFAOYSA-N 2 0 308.495 2.578 20 0 DFADRP Cc1ccc(NC(=O)C[C@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)c(C)c1 ZINC000414837841 428431012 /nfs/dbraw/zinc/43/10/12/428431012.db2.gz VZOMYQIKMIGDAZ-PMRDEQMMSA-N 2 0 315.461 2.893 20 0 DFADRP C[C@@H](c1nc(-c2cccc(F)c2)no1)N1CC[C@@H](C[NH+](C)C)C1 ZINC000372330509 428431306 /nfs/dbraw/zinc/43/13/06/428431306.db2.gz LFDDNYKWRITZOG-STQMWFEESA-N 2 0 318.396 2.820 20 0 DFADRP CCOc1c(C[NH2+]CC[C@@H]2CCC[NH2+]C2)c(C)nn1CC(C)C ZINC000414853301 428432455 /nfs/dbraw/zinc/43/24/55/428432455.db2.gz RSMCVVOGFSQNLS-INIZCTEOSA-N 2 0 322.497 2.726 20 0 DFADRP c1cn2c(C[NH2+]CC[C@H]3CCC[NH2+]C3)c(C3CC3)nc2s1 ZINC000414853673 428432471 /nfs/dbraw/zinc/43/24/71/428432471.db2.gz SNIIVVMMWSYYOB-GFCCVEGCSA-N 2 0 304.463 2.753 20 0 DFADRP C[NH+](C)[C@@H]1CCC[C@@H]([NH2+]C2CCN(c3nccs3)CC2)C1 ZINC000378582831 428432819 /nfs/dbraw/zinc/43/28/19/428432819.db2.gz PKINAIGANWIOEA-HUUCEWRRSA-N 2 0 308.495 2.574 20 0 DFADRP CCCOc1ccc(C[NH2+][C@H]2CC[NH2+]CC2(C)C)cc1OC ZINC000414980382 428479423 /nfs/dbraw/zinc/47/94/23/428479423.db2.gz WMXUMQFLSUCWMK-KRWDZBQOSA-N 2 0 306.450 2.962 20 0 DFADRP Fc1ccc([C@@H]2CC[NH2+]C[C@@H]2C[NH2+]C[C@@H]2CCCOC2)cc1 ZINC000414996585 428481929 /nfs/dbraw/zinc/48/19/29/428481929.db2.gz GNCBIERAGSXTCY-LESCRADOSA-N 2 0 306.425 2.535 20 0 DFADRP COc1ccc(C[NH2+]C[C@@H]2CCC[C@H]([NH3+])C2)cc1OC(F)F ZINC000414995757 428481957 /nfs/dbraw/zinc/48/19/57/428481957.db2.gz NVZNXRPPLNOISO-YPMHNXCESA-N 2 0 314.376 2.904 20 0 DFADRP [NH3+][C@@H]1CCC[C@H](C[NH2+]Cc2c[nH]nc2-c2c(F)cccc2F)C1 ZINC000414994200 428483354 /nfs/dbraw/zinc/48/33/54/428483354.db2.gz LVYNWIMZYAPSIX-WCQYABFASA-N 2 0 320.387 2.962 20 0 DFADRP COCCCOc1cccc(C[NH2+]C[C@H]2CCC[C@H]([NH3+])C2)c1 ZINC000414995130 428483580 /nfs/dbraw/zinc/48/35/80/428483580.db2.gz NBSXEVDDOSIOAD-RDJZCZTQSA-N 2 0 306.450 2.709 20 0 DFADRP CCC[N@H+](Cc1cc(OC)c(OC)c(OC)c1)C1CC[NH2+]CC1 ZINC000347184749 428484520 /nfs/dbraw/zinc/48/45/20/428484520.db2.gz YIIBFKAOJDQBOJ-UHFFFAOYSA-N 2 0 322.449 2.676 20 0 DFADRP [NH3+][C@H]1CCC[C@H](C[NH2+]Cc2cccc(O)c2Br)C1 ZINC000415003520 428485738 /nfs/dbraw/zinc/48/57/38/428485738.db2.gz NFUGXXULMJGWSA-JQWIXIFHSA-N 2 0 313.239 2.762 20 0 DFADRP [NH3+][C@H]1CCC[C@H](C[NH2+]Cc2csc(-c3ccccn3)n2)C1 ZINC000414999355 428485762 /nfs/dbraw/zinc/48/57/62/428485762.db2.gz RSPJJSBCQZMZNZ-STQMWFEESA-N 2 0 302.447 2.812 20 0 DFADRP C[C@@H]([NH3+])[C@H](C)[NH2+][C@H](C)Cc1ccc(Br)c(F)c1 ZINC000415004823 428486003 /nfs/dbraw/zinc/48/60/03/428486003.db2.gz AGLORDCIDWWMDE-BBBLOLIVSA-N 2 0 303.219 2.845 20 0 DFADRP Fc1ccc([C@@H]2CC[NH2+]C[C@@H]2C[NH2+]C[C@H]2CCSC2)cc1 ZINC000415008281 428487464 /nfs/dbraw/zinc/48/74/64/428487464.db2.gz SFECYCMHNCETNL-UNEWFSDZSA-N 2 0 308.466 2.862 20 0 DFADRP C[C@@H](CCCC[NH3+])[NH2+]Cc1c[nH]nc1-c1c(F)cccc1F ZINC000415006835 428489117 /nfs/dbraw/zinc/48/91/17/428489117.db2.gz AMFSKFZVPUVMLD-NSHDSACASA-N 2 0 308.376 2.962 20 0 DFADRP Cc1nc(COc2ccc(C[NH2+]C(C)(C)CCC[NH3+])cc2)no1 ZINC000415018752 428490538 /nfs/dbraw/zinc/49/05/38/428490538.db2.gz RHEWEDBPVWVHJY-UHFFFAOYSA-N 2 0 318.421 2.564 20 0 DFADRP CCSCC[NH2+]CC1(N2CC[NH+](C)CC2)CCCCCC1 ZINC000372709045 428490801 /nfs/dbraw/zinc/49/08/01/428490801.db2.gz YXAQNFVJQBSXEV-UHFFFAOYSA-N 2 0 313.555 2.670 20 0 DFADRP C[C@H](CC(=O)Nc1ccc(F)cc1)[NH2+]C[C@H]1CC[C@H](C[NH3+])CC1 ZINC000415023769 428491749 /nfs/dbraw/zinc/49/17/49/428491749.db2.gz LYMLWYHDCKAZND-RBSFLKMASA-N 2 0 321.440 2.898 20 0 DFADRP Clc1ccc([C@@H]2CCC[C@@H]2[NH2+]C[C@H]2C[NH2+]CCCO2)cc1 ZINC000415037302 428495429 /nfs/dbraw/zinc/49/54/29/428495429.db2.gz KWMZGITXGWYXME-IKGGRYGDSA-N 2 0 308.853 2.944 20 0 DFADRP Cc1cccc([C@H](C)[NH2+][C@@H](CC(C)C)C(=O)NCC[NH+](C)C)c1 ZINC000347215049 428496350 /nfs/dbraw/zinc/49/63/50/428496350.db2.gz XZGSVVSNUNCRET-WMZOPIPTSA-N 2 0 319.493 2.738 20 0 DFADRP CC(C)[N@H+](C)CCN[C@H]1CC[NH+](Cc2ccccc2)C[C@H]1C ZINC000360933048 428497141 /nfs/dbraw/zinc/49/71/41/428497141.db2.gz IDNJGWJLJCIGHD-MJGOQNOKSA-N 2 0 303.494 2.827 20 0 DFADRP C[C@@H]1C[C@H](C[N@@H+]2CCN(Cc3ccccc3)[C@@H](C)C2)CC[NH2+]1 ZINC000396344746 428497458 /nfs/dbraw/zinc/49/74/58/428497458.db2.gz PAVYJMJODPMGCR-ZIFCJYIRSA-N 2 0 301.478 2.581 20 0 DFADRP Clc1ccccc1[C@@H]1CCC[C@@H]1[NH2+]C[C@@H]1C[NH2+]CCCO1 ZINC000415046235 428497631 /nfs/dbraw/zinc/49/76/31/428497631.db2.gz URUQTFAHDAYJMG-QRTARXTBSA-N 2 0 308.853 2.944 20 0 DFADRP CC[C@H]([NH2+][C@@H](CC(C)C)C(=O)NCC[NH+](C)C)c1ccccc1 ZINC000347217641 428499290 /nfs/dbraw/zinc/49/92/90/428499290.db2.gz AJFKQIFLURLHTI-ROUUACIJSA-N 2 0 319.493 2.820 20 0 DFADRP COCCOc1ccc(C[N@@H+]2CCCC[C@@H]2[C@H]2CC[NH2+]C2)cc1 ZINC000415053085 428501331 /nfs/dbraw/zinc/50/13/31/428501331.db2.gz NYDMYWXUQDFODC-PKOBYXMFSA-N 2 0 318.461 2.676 20 0 DFADRP Cc1ccccc1NC(=O)C[C@H](C)[N@@H+]1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000415052491 428501576 /nfs/dbraw/zinc/50/15/76/428501576.db2.gz HTDZDHRZKLMLRG-RVKKMQEKSA-N 2 0 303.450 2.629 20 0 DFADRP C[C@H]1[NH2+]CCC[C@H]1NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000396679592 428501955 /nfs/dbraw/zinc/50/19/55/428501955.db2.gz VJZJOCVVAYUGNQ-MNIJEXPFSA-N 2 0 313.489 2.912 20 0 DFADRP Cc1cc(Cl)ccc1C[NH2+]C1CCC([NH+]2CCNCC2)CC1 ZINC000415059203 428502452 /nfs/dbraw/zinc/50/24/52/428502452.db2.gz USYPIHLWSBFTFQ-UHFFFAOYSA-N 2 0 321.896 2.954 20 0 DFADRP Cn1nnc2cc(C[NH2+][C@@H](CCC[NH3+])c3ccccc3)ccc21 ZINC000415054942 428502548 /nfs/dbraw/zinc/50/25/48/428502548.db2.gz ODLQDGLWVSIKSL-INIZCTEOSA-N 2 0 309.417 2.538 20 0 DFADRP C1CC1[C@@H]1CCCC[C@H]1[NH2+]C1CCC([NH+]2CCNCC2)CC1 ZINC000415058101 428504012 /nfs/dbraw/zinc/50/40/12/428504012.db2.gz SJHMCJFJHDTVBO-WZOJCFFYSA-N 2 0 305.510 2.761 20 0 DFADRP Cc1cccc(NC(=O)C[C@H](C)[N@@H+]2C[C@@H](C)[C@](C)(C[NH3+])C2)c1C ZINC000415059048 428505200 /nfs/dbraw/zinc/50/52/00/428505200.db2.gz WUFDVKRMWXLHKH-ZRGWGRIASA-N 2 0 317.477 2.937 20 0 DFADRP CC(C)N(C)c1ccc(C[N@@H+]2CCCC[C@H]2[C@@H]2CC[NH2+]C2)cn1 ZINC000415060863 428507479 /nfs/dbraw/zinc/50/74/79/428507479.db2.gz ZBWVRUBTIXRDEO-MSOLQXFVSA-N 2 0 316.493 2.890 20 0 DFADRP CCC(=O)N1CCC[C@@H]1[C@@H]1CCC[N@H+]1CCC[NH+](CC)CC ZINC000372947131 428509100 /nfs/dbraw/zinc/50/91/00/428509100.db2.gz JHHKRFGLANIGBT-DLBZAZTESA-N 2 0 309.498 2.584 20 0 DFADRP CC(C)[N@@H+]1CCc2nc(CN[C@H](C[NH3+])C3CCCC3)sc2C1 ZINC000415067071 428509216 /nfs/dbraw/zinc/50/92/16/428509216.db2.gz OWPHVNXRBHEQQW-OAHLLOKOSA-N 2 0 322.522 2.517 20 0 DFADRP CCOc1ccccc1OCC[N@@H+]1C[C@H](C[NH3+])[C@@H](C)C[C@H]1C ZINC000397396614 428509480 /nfs/dbraw/zinc/50/94/80/428509480.db2.gz PMMIOVYZRPFPHA-XHSDSOJGSA-N 2 0 306.450 2.769 20 0 DFADRP C[C@H]([NH2+]CC1(c2ccccc2Cl)CCOCC1)[C@H]1CC[NH2+]C1 ZINC000415074947 428509706 /nfs/dbraw/zinc/50/97/06/428509706.db2.gz DCRMSGHTCIEMAA-GJZGRUSLSA-N 2 0 322.880 2.976 20 0 DFADRP C[C@H](c1ccncc1)N1CCC([NH2+]C[C@@H]2CC[NH2+][C@H](C)C2)CC1 ZINC000415075507 428509913 /nfs/dbraw/zinc/50/99/13/428509913.db2.gz BPYKTLGZZUNTMJ-BRWVUGGUSA-N 2 0 316.493 2.585 20 0 DFADRP CC1CC[NH+]([C@@H](CN[C@H]2CCC[NH2+]C2)c2cccs2)CC1 ZINC000415074901 428510739 /nfs/dbraw/zinc/51/07/39/428510739.db2.gz AYWBFNBJAYSYEH-HOTGVXAUSA-N 2 0 307.507 2.863 20 0 DFADRP CCn1cncc1C[NH2+]CC1CC[NH+](Cc2ccccc2)CC1 ZINC000397599384 428511013 /nfs/dbraw/zinc/51/10/13/428511013.db2.gz SCJAJDBCJHPZDO-UHFFFAOYSA-N 2 0 312.461 2.905 20 0 DFADRP C[C@@H](Cc1ccc(F)c(Br)c1)[NH2+]C1CC[NH2+]CC1 ZINC000415076642 428512422 /nfs/dbraw/zinc/51/24/22/428512422.db2.gz DEPRYMKJTMNSCJ-JTQLQIEISA-N 2 0 315.230 2.861 20 0 DFADRP CC[NH+]1CCC(NC(=O)C[NH2+][C@H](c2ccccc2)C(C)C)CC1 ZINC000357393951 428513070 /nfs/dbraw/zinc/51/30/70/428513070.db2.gz ZKBYCOSZYOOLGT-IBGZPJMESA-N 2 0 317.477 2.574 20 0 DFADRP COc1ccc(CCC[NH2+][C@@H](C)C[C@H]2CCC[NH2+]2)cc1OC ZINC000415077024 428513093 /nfs/dbraw/zinc/51/30/93/428513093.db2.gz DORXXSNKSRLMEJ-GOEBONIOSA-N 2 0 306.450 2.757 20 0 DFADRP COc1ccc(CCC[NH2+]C[C@@H]2CC[NH2+][C@@H](C)C2)cc1OC ZINC000415077789 428513185 /nfs/dbraw/zinc/51/31/85/428513185.db2.gz FLHWSISRPJAAHY-GOEBONIOSA-N 2 0 306.450 2.614 20 0 DFADRP [NH3+]C1CCC([NH2+]Cc2cccc(NC(=O)c3ccncc3)c2)CC1 ZINC000415078531 428513234 /nfs/dbraw/zinc/51/32/34/428513234.db2.gz IUYQQEYJNBONSZ-UHFFFAOYSA-N 2 0 324.428 2.693 20 0 DFADRP c1sc(CCC[NH2+][C@H]2CCC[NH2+]CC2)nc1-c1ccncc1 ZINC000415087844 428515140 /nfs/dbraw/zinc/51/51/40/428515140.db2.gz VHBQPCFKZRNAFV-HNNXBMFYSA-N 2 0 316.474 2.869 20 0 DFADRP C[C@@H]1C[C@H]([NH2+][C@H]2CCCC[C@H]2C[NH3+])CN1Cc1ccccc1 ZINC000398018164 428515883 /nfs/dbraw/zinc/51/58/83/428515883.db2.gz ILYVJPZVVZOJQB-BVBHFADKSA-N 2 0 301.478 2.757 20 0 DFADRP C[C@@H]1C[C@@H](C[NH2+][C@@H]2CCN(c3c(F)cccc3F)C2)CC[NH2+]1 ZINC000415090170 428516095 /nfs/dbraw/zinc/51/60/95/428516095.db2.gz XLFQZGRXDVRDDF-HZSPNIEDSA-N 2 0 309.404 2.521 20 0 DFADRP Fc1cc(Br)cc(C[NH2+][C@@H]2CCC[NH2+]CC2)c1 ZINC000415087869 428516806 /nfs/dbraw/zinc/51/68/06/428516806.db2.gz VLNORBNUQXQHMF-CYBMUJFWSA-N 2 0 301.203 2.820 20 0 DFADRP CCN(CCC[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1)CC(F)(F)F ZINC000347267316 428519441 /nfs/dbraw/zinc/51/94/41/428519441.db2.gz NYGMNNQSYSOLJY-OAHLLOKOSA-N 2 0 321.431 2.678 20 0 DFADRP C[C@@H]1C[N@H+](C)CC[C@H]1NC[C@]1(C)CCC[NH+]1Cc1ccccc1 ZINC000398052116 428519452 /nfs/dbraw/zinc/51/94/52/428519452.db2.gz GHSNASDCFISWEH-RLLQIKCJSA-N 2 0 315.505 2.971 20 0 DFADRP C[C@H]1CN(Cc2ccccc2)CC[C@H]1[NH2+]C1CCC([NH3+])CC1 ZINC000398051037 428519545 /nfs/dbraw/zinc/51/95/45/428519545.db2.gz XTFAGKAYQHCSMZ-GWFLUQINSA-N 2 0 301.478 2.757 20 0 DFADRP C[C@H]([NH2+]C1CCN(Cc2ccc(F)c(F)c2)CC1)[C@H]1CC[NH2+]C1 ZINC000415096324 428519637 /nfs/dbraw/zinc/51/96/37/428519637.db2.gz BCUKMLXXQQMNFW-ZFWWWQNUSA-N 2 0 323.431 2.517 20 0 DFADRP CC(C)[C@@H](CN(C)Cc1ccccc1)[NH2+][C@H]1CCC[NH2+]CC1 ZINC000398078306 428520086 /nfs/dbraw/zinc/52/00/86/428520086.db2.gz GDTVCJGKLXLZKT-RBUKOAKNSA-N 2 0 303.494 2.875 20 0 DFADRP CC[C@H](C)C[NH2+]CCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000357411811 428520079 /nfs/dbraw/zinc/52/00/79/428520079.db2.gz IXEMFOAAOBHQHG-SFHVURJKSA-N 2 0 303.494 2.830 20 0 DFADRP CC1(C[NH2+]Cc2csc(Br)c2)CC[NH2+]CC1 ZINC000398198250 428520465 /nfs/dbraw/zinc/52/04/65/428520465.db2.gz OMPAIJXJIJVDAR-UHFFFAOYSA-N 2 0 303.269 2.990 20 0 DFADRP CC[NH+]1CCN(c2cccc(NCC[NH2+]C(C)(C)C)c2)CC1 ZINC000415106000 428521689 /nfs/dbraw/zinc/52/16/89/428521689.db2.gz NOEXPROGMBAUCQ-UHFFFAOYSA-N 2 0 304.482 2.629 20 0 DFADRP [NH3+][C@@H]1CCO[C@H](C2CC[NH+](Cc3ccc4c(c3)CCC4)CC2)C1 ZINC000415131076 428531923 /nfs/dbraw/zinc/53/19/23/428531923.db2.gz YLJPOILRUOPSJQ-UXHICEINSA-N 2 0 314.473 2.894 20 0 DFADRP [NH3+]CCCN(c1cccc(F)c1)[C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000415111426 428523433 /nfs/dbraw/zinc/52/34/33/428523433.db2.gz BXELQRSPTTVJMR-OKZBNKHCSA-N 2 0 305.441 2.902 20 0 DFADRP C[N@@H+]1CC[C@H]([NH2+]CCOc2ccc(F)c(F)c2)[C@H]2CCC[C@H]21 ZINC000353409262 428524587 /nfs/dbraw/zinc/52/45/87/428524587.db2.gz WEVRBGMBFVVXJC-XOKHGSTOSA-N 2 0 310.388 2.806 20 0 DFADRP CC[C@@H](C)C[NH2+]Cc1ccc(CN2CC[NH+](CC)CC2)cc1 ZINC000357417744 428525479 /nfs/dbraw/zinc/52/54/79/428525479.db2.gz QOQWPUNKPUOUMN-QGZVFWFLSA-N 2 0 303.494 2.960 20 0 DFADRP Cc1ccc(C[NH+]2CCC([C@@H]3C[C@H]([NH3+])CCO3)CC2)cc1F ZINC000415121213 428526199 /nfs/dbraw/zinc/52/61/99/428526199.db2.gz HRUDVRZOGSVMMT-AEFFLSMTSA-N 2 0 306.425 2.852 20 0 DFADRP [NH3+]C[C@@H]1CN(Cc2cccc(OC3CCCC3)c2)CCCO1 ZINC000415118526 428527480 /nfs/dbraw/zinc/52/74/80/428527480.db2.gz YJEPRZXSHDDBHW-GOSISDBHSA-N 2 0 304.434 2.558 20 0 DFADRP C[N@@H+](Cc1cnc([C@H]2CCCO2)s1)CC1CC[NH+](C)CC1 ZINC000353422847 428527907 /nfs/dbraw/zinc/52/79/07/428527907.db2.gz OKWLVJRZIYNAHT-OAHLLOKOSA-N 2 0 309.479 2.768 20 0 DFADRP C[C@@H]1CC[N@H+](Cc2ccc(-c3cnn(C)c3)s2)C[C@@H]1C[NH3+] ZINC000415123727 428528472 /nfs/dbraw/zinc/52/84/72/428528472.db2.gz JOKRTKNPTAONIW-OLZOCXBDSA-N 2 0 304.463 2.565 20 0 DFADRP Cc1cccc(C[N@@H+]2CC3(CC[NH2+]CC3)[C@@H]3COC[C@@H]32)c1C ZINC000415123316 428528508 /nfs/dbraw/zinc/52/85/08/428528508.db2.gz AROQSDFPUVOAOX-MSOLQXFVSA-N 2 0 300.446 2.504 20 0 DFADRP C[C@H]1C[C@@H](NC2CC[NH+](CCc3ccc(F)cc3)CC2)CC[NH2+]1 ZINC000414955108 428471937 /nfs/dbraw/zinc/47/19/37/428471937.db2.gz UAZOILLMQWZPKZ-KXBFYZLASA-N 2 0 319.468 2.563 20 0 DFADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)NC[C@H]1[NH2+]CCc2ccccc21 ZINC000414955486 428472095 /nfs/dbraw/zinc/47/20/95/428472095.db2.gz NDYYNXOJZGHSHH-HHXXYDBFSA-N 2 0 301.478 2.774 20 0 DFADRP C[C@@H]1[NH2+]CCC[C@H]1NCC(C)(C)C[N@H+](C)Cc1ccccc1 ZINC000414953965 428472779 /nfs/dbraw/zinc/47/27/79/428472779.db2.gz MIDJBILHVNLGJD-FUHWJXTLSA-N 2 0 303.494 2.875 20 0 DFADRP COC[C@]1(C[NH2+][C@H]2CC[C@@H](Cc3ccccc3)C2)CCC[NH2+]1 ZINC000414958212 428473291 /nfs/dbraw/zinc/47/32/91/428473291.db2.gz RCVCGLAZOSYRIT-GBESFXJTSA-N 2 0 302.462 2.756 20 0 DFADRP C[C@H](NC[C@H]1CCC[N@@H+]1Cc1ccccc1)[C@H]1CCCC[NH2+]1 ZINC000390551561 428473875 /nfs/dbraw/zinc/47/38/75/428473875.db2.gz CQNYNUHPGGPHCA-QXAKKESOSA-N 2 0 301.478 2.771 20 0 DFADRP C[C@H](CCC[NH3+])[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000390566592 428474891 /nfs/dbraw/zinc/47/48/91/428474891.db2.gz AUMIQRYOOMUIGY-BPIHKTFHSA-N 3 0 301.478 2.899 20 0 DFADRP FC(F)(F)CCN1CCC([NH2+]CCC[C@H]2CCC[NH2+]2)CC1 ZINC000414962184 428475351 /nfs/dbraw/zinc/47/53/51/428475351.db2.gz JOFRSLIJRMEIKB-CYBMUJFWSA-N 2 0 307.404 2.525 20 0 DFADRP COc1ccccc1-n1nccc1C[NH2+]CCC[C@H]1CCC[NH2+]1 ZINC000414965808 428476237 /nfs/dbraw/zinc/47/62/37/428476237.db2.gz NTVYUIODOKFLJC-HNNXBMFYSA-N 2 0 314.433 2.503 20 0 DFADRP C[C@H](Cc1ccccc1C(F)(F)F)[NH2+]CCOCC[NH+](C)C ZINC000360882747 428476620 /nfs/dbraw/zinc/47/66/20/428476620.db2.gz GNYJYDFZPDHVPJ-CYBMUJFWSA-N 2 0 318.383 2.804 20 0 DFADRP COc1ccc(C[NH2+]CCC[C@@H]2CCC[NH2+]2)cc1OC(F)F ZINC000414971539 428477610 /nfs/dbraw/zinc/47/76/10/428477610.db2.gz LNYDVRIAQIEKMA-CYBMUJFWSA-N 2 0 314.376 2.918 20 0 DFADRP CCCc1cccc(C[NH2+][C@H]2CCN(C3CC[NH+](C)CC3)C2)c1 ZINC000373457838 428581589 /nfs/dbraw/zinc/58/15/89/428581589.db2.gz BJMJXFDPZNKWJH-IBGZPJMESA-N 2 0 315.505 2.897 20 0 DFADRP C[C@H](CNC(=O)CC1(C[NH3+])CCCCC1)[N@@H+]1CCCC[C@H]1C ZINC000361612876 428583549 /nfs/dbraw/zinc/58/35/49/428583549.db2.gz XZUAIVVZESKPIZ-HZPDHXFCSA-N 2 0 309.498 2.665 20 0 DFADRP CC(C)[C@H]([NH2+]C1CCN(CC[NH+](C)C)CC1)c1ccc(F)cn1 ZINC000353550587 428590287 /nfs/dbraw/zinc/59/02/87/428590287.db2.gz HXTUAUKZEBULCD-SFHVURJKSA-N 2 0 322.472 2.533 20 0 DFADRP CC[C@H]([NH2+]CCN1CCCC[C@@H]1CC)C1(C(=O)OC)CCC1 ZINC000353553327 428591396 /nfs/dbraw/zinc/59/13/96/428591396.db2.gz RKFLPUWYEGIOKM-HOTGVXAUSA-N 2 0 310.482 2.962 20 0 DFADRP NC1(C[NH2+]Cc2ccccc2)CC[NH+](Cc2ccccc2)CC1 ZINC000415134212 428534193 /nfs/dbraw/zinc/53/41/93/428534193.db2.gz OEAWYGIHRIZCPQ-UHFFFAOYSA-N 2 0 309.457 2.770 20 0 DFADRP CC[NH+]1CCC(N(C)CC[N@H+](C)Cc2ccc(F)cc2)CC1 ZINC000347300566 428534592 /nfs/dbraw/zinc/53/45/92/428534592.db2.gz NDUUDBPIDVXFIS-UHFFFAOYSA-N 2 0 307.457 2.674 20 0 DFADRP C[C@@H]1CC[C@H](N[C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)C[NH2+]1 ZINC000399060376 428534712 /nfs/dbraw/zinc/53/47/12/428534712.db2.gz LKNDLILOMVFGQQ-FPAYPSAMSA-N 2 0 301.478 2.770 20 0 DFADRP CNC(=O)[C@@H]1CCC[C@@H]1[NH2+]C1CC[NH+]([C@@H]2CCCC[C@@H]2C)CC1 ZINC000358266399 428593648 /nfs/dbraw/zinc/59/36/48/428593648.db2.gz MIPOBSPYOIIHKX-XOYOTBSWSA-N 2 0 321.509 2.534 20 0 DFADRP CN(C)[C@H](C[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@H]21)c1ccsc1 ZINC000353449745 428539477 /nfs/dbraw/zinc/53/94/77/428539477.db2.gz SFWZOGTYMAJWSR-VVLHAWIVSA-N 2 0 307.507 2.813 20 0 DFADRP C[C@@H](NCC1([N@H+](C)Cc2ccccc2)CCC1)[C@@H]1CC[NH2+]C1 ZINC000400365882 428542713 /nfs/dbraw/zinc/54/27/13/428542713.db2.gz DZQUPNTVGNDDDB-SJLPKXTDSA-N 2 0 301.478 2.629 20 0 DFADRP C[C@H](NCC1([N@H+](C)Cc2ccccc2)CCC1)[C@H]1CC[NH2+]C1 ZINC000400365883 428544129 /nfs/dbraw/zinc/54/41/29/428544129.db2.gz DZQUPNTVGNDDDB-WMZOPIPTSA-N 2 0 301.478 2.629 20 0 DFADRP C[C@@H]([NH2+]CC1=CC[N@H+](C)CC1)[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000400449035 428545630 /nfs/dbraw/zinc/54/56/30/428545630.db2.gz OFKKIHMHFFMLPG-GDBMZVCRSA-N 2 0 323.481 2.626 20 0 DFADRP CCC[NH+]1CCC([NH2+][C@@H](C)c2ccccc2-n2ccnn2)CC1 ZINC000353457503 428546857 /nfs/dbraw/zinc/54/68/57/428546857.db2.gz ZLBZWBCUSHBOHZ-HNNXBMFYSA-N 2 0 313.449 2.792 20 0 DFADRP C[C@H](N[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)[C@H]1CC[NH2+]C1 ZINC000400757506 428547850 /nfs/dbraw/zinc/54/78/50/428547850.db2.gz XKNSUWLPXPQQIJ-KCITZHQASA-N 3 0 301.478 2.627 20 0 DFADRP C[C@H](N[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1)[C@@H]1CC[NH2+]C1 ZINC000400757512 428548797 /nfs/dbraw/zinc/54/87/97/428548797.db2.gz XKNSUWLPXPQQIJ-RNIPGJKVSA-N 3 0 301.478 2.627 20 0 DFADRP C[C@@H](C[NH2+]C[C@H](O)C[NH+]1CCC(C)CC1)Cc1ccccc1 ZINC000347334632 428548972 /nfs/dbraw/zinc/54/89/72/428548972.db2.gz RNICMNQDROLGJS-MJGOQNOKSA-N 2 0 304.478 2.548 20 0 DFADRP C[C@H](N[C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]12)[C@@H]1CCC[NH2+]1 ZINC000400742105 428549293 /nfs/dbraw/zinc/54/92/93/428549293.db2.gz TWBWYKUCOLDXRF-FAJAVTLNSA-N 2 0 313.489 2.627 20 0 DFADRP C[C@H](N[C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]12)[C@@H]1CCC[NH2+]1 ZINC000400742097 428549576 /nfs/dbraw/zinc/54/95/76/428549576.db2.gz TWBWYKUCOLDXRF-AXDKOMKPSA-N 2 0 313.489 2.627 20 0 DFADRP C[C@H](CCOCc1ccccc1)[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000401005516 428551665 /nfs/dbraw/zinc/55/16/65/428551665.db2.gz OZCSELZSVFNMJW-QXCFHYIPSA-N 2 0 302.462 2.960 20 0 DFADRP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)CN1Cc1ccccc1 ZINC000401172965 428551716 /nfs/dbraw/zinc/55/17/16/428551716.db2.gz XOIKXTLYLPASAH-ZKIDJSGLSA-N 3 0 313.489 2.627 20 0 DFADRP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)[C@@H](N)c2ccccc2)C1 ZINC000353475955 428554134 /nfs/dbraw/zinc/55/41/34/428554134.db2.gz YECJUSSOFNBDHU-LZQZEXGQSA-N 2 0 323.440 2.638 20 0 DFADRP Cc1nccn1CC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000347348390 428558588 /nfs/dbraw/zinc/55/85/88/428558588.db2.gz XMMCTSWUPBQWHI-IHWFROFDSA-N 2 0 324.472 2.977 20 0 DFADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@H](CO)C1CC1 ZINC000353489943 428561472 /nfs/dbraw/zinc/56/14/72/428561472.db2.gz QKDBLTHIQFIBQZ-LZQZEXGQSA-N 2 0 302.462 2.505 20 0 DFADRP C[C@@H]1[C@H](C)[N@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)CC(C)(C)[NH3+] ZINC000404312083 428565824 /nfs/dbraw/zinc/56/58/24/428565824.db2.gz LYDMWZRGPKOCJW-HRCADAONSA-N 2 0 317.477 2.624 20 0 DFADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)Cc1ccsc1C ZINC000353501456 428566586 /nfs/dbraw/zinc/56/65/86/428566586.db2.gz IPBVBBYQIUPSBV-KRWDZBQOSA-N 2 0 309.523 2.904 20 0 DFADRP C[C@@H]1C[N@@H+](CCCC[NH2+][C@@H]2CCC[C@H]2CCF)C[C@H](C)O1 ZINC000353499996 428567739 /nfs/dbraw/zinc/56/77/39/428567739.db2.gz FDNAMLJGXDQHCV-VVLHAWIVSA-N 2 0 300.462 2.994 20 0 DFADRP CCN(C(=O)C[N@@H+]1CCC[C@@H](C)[C@@H]1CC[NH3+])C1CCCCC1 ZINC000404371342 428569738 /nfs/dbraw/zinc/56/97/38/428569738.db2.gz QZSMXZPGERYQLI-WBVHZDCISA-N 2 0 309.498 2.617 20 0 DFADRP Cc1ccc(C[NH2+]CC(C)(C)N2CC[NH+](C)CC2)c(Cl)c1 ZINC000404667340 428572248 /nfs/dbraw/zinc/57/22/48/428572248.db2.gz APHWPCRPWSNWMB-UHFFFAOYSA-N 2 0 309.885 2.764 20 0 DFADRP CC[C@@H]([NH2+]CCC[N@@H+]1CCC[C@H](C(N)=O)C1)c1cccc(C)c1 ZINC000353522962 428575896 /nfs/dbraw/zinc/57/58/96/428575896.db2.gz SZAZQMUDYZOOFA-ZWKOTPCHSA-N 2 0 317.477 2.623 20 0 DFADRP C[C@H](CC1CCOCC1)[NH2+]CCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000358044813 428576717 /nfs/dbraw/zinc/57/67/17/428576717.db2.gz IFNCRWCMNSROTA-ZACQAIPSSA-N 2 0 312.498 2.671 20 0 DFADRP C[NH+](C)CCOC1CC[NH+](Cc2coc3ccccc23)CC1 ZINC000353527772 428578179 /nfs/dbraw/zinc/57/81/79/428578179.db2.gz MHHYSLVQDCLGJL-UHFFFAOYSA-N 2 0 302.418 2.975 20 0 DFADRP CC[N@@H+]1CC[C@H]([NH2+][C@H]2CCOC3(CCSCC3)C2)[C@H](C)C1 ZINC000358311920 428596334 /nfs/dbraw/zinc/59/63/34/428596334.db2.gz ABEVENBTTSHEOB-PMPSAXMXSA-N 2 0 312.523 2.751 20 0 DFADRP CC[NH+](CC)[C@@H](CNC(=O)c1ccc2c(c1)C[NH2+]C2)CC(C)C ZINC000347525604 428596863 /nfs/dbraw/zinc/59/68/63/428596863.db2.gz QLWUOEDEPGDPEG-GOSISDBHSA-N 2 0 317.477 2.776 20 0 DFADRP CCC[NH+](CCC)CCCNC(=O)c1ccc2c(c1)C[NH2+]C2 ZINC000347528909 428597369 /nfs/dbraw/zinc/59/73/69/428597369.db2.gz UAXHQZXXKSBTEY-UHFFFAOYSA-N 2 0 303.450 2.532 20 0 DFADRP CN(C)C(=[NH2+])NC[C@@H]1CCC[N@H+](C)[C@H]1c1cccc(Cl)c1 ZINC000361802354 428598048 /nfs/dbraw/zinc/59/80/48/428598048.db2.gz BEZBPSXQGIMLEC-ZFWWWQNUSA-N 2 0 308.857 2.809 20 0 DFADRP CCC(C)(C)[NH2+][C@H](C)C(=O)NCCCC[N@@H+]1CCC[C@H](C)C1 ZINC000347532556 428599217 /nfs/dbraw/zinc/59/92/17/428599217.db2.gz UMRYHTHBJZSJNR-JKSUJKDBSA-N 2 0 311.514 2.781 20 0 DFADRP C[NH+]1CCC(O)(C[NH2+][C@@H]2CCCOc3ccc(Cl)cc32)CC1 ZINC000361890058 428603821 /nfs/dbraw/zinc/60/38/21/428603821.db2.gz CVJDLETTXUWFLI-OAHLLOKOSA-N 2 0 324.852 2.600 20 0 DFADRP CC[N@@H+]1C[C@H](C)[C@H](N[C@H]2CC[NH+](Cc3ccccc3)C[C@H]2C)C1 ZINC000361965637 428607091 /nfs/dbraw/zinc/60/70/91/428607091.db2.gz IAPJOIFUBGIBMV-LCLWPZTBSA-N 2 0 315.505 2.827 20 0 DFADRP CCCC[N@H+](C)C[C@@H](C)NC(=O)Nc1ccccc1C[NH2+]C ZINC000415907065 428622226 /nfs/dbraw/zinc/62/22/26/428622226.db2.gz ZNTVYPLPXCSGGX-CQSZACIVSA-N 2 0 306.454 2.648 20 0 DFADRP C[NH2+]Cc1ccccc1NC(=O)NC[C@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC000415902969 428623368 /nfs/dbraw/zinc/62/33/68/428623368.db2.gz PTTFPOLRMUWHNY-GJZGRUSLSA-N 2 0 318.465 2.648 20 0 DFADRP Cc1ccc(C[C@H](CO)[NH2+]C2CC[NH+](C3CCCC3)CC2)cc1 ZINC000373637427 428624779 /nfs/dbraw/zinc/62/47/79/428624779.db2.gz YZSUKQFWIWUYGE-LJQANCHMSA-N 2 0 316.489 2.895 20 0 DFADRP CCC[N@@H+]1CCC[C@H]1CNC(=O)Nc1cccc(C[NH2+]CC)c1 ZINC000415912167 428625330 /nfs/dbraw/zinc/62/53/30/428625330.db2.gz BKSWEKPVCBSJPV-KRWDZBQOSA-N 2 0 318.465 2.792 20 0 DFADRP C[C@H]([NH2+][C@H]1CCc2nc[nH]c2C1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000353623177 428628924 /nfs/dbraw/zinc/62/89/24/428628924.db2.gz ODPVZIIVHPPAAA-SZMVWBNQSA-N 2 0 324.472 2.767 20 0 DFADRP CC[NH2+]Cc1ccccc1NC(=O)N1C[C@H](C)[N@H+](CC)C[C@H]1C ZINC000415934557 428630321 /nfs/dbraw/zinc/63/03/21/428630321.db2.gz SDRAQWFHAMQLBX-LSDHHAIUSA-N 2 0 318.465 2.743 20 0 DFADRP C[NH2+]Cc1cccc(NC(=O)NC[C@@H](C)[N@@H+]2CCCC[C@H]2C)c1 ZINC000415934604 428631934 /nfs/dbraw/zinc/63/19/34/428631934.db2.gz RPBBBKFKZPMEAZ-HUUCEWRRSA-N 2 0 318.465 2.790 20 0 DFADRP C[NH2+]Cc1cccc(NC(=O)N(C)CC[C@@H]2CCCC[N@@H+]2C)c1 ZINC000415945558 428632444 /nfs/dbraw/zinc/63/24/44/428632444.db2.gz RJSOJUKWJRYFNR-KRWDZBQOSA-N 2 0 318.465 2.744 20 0 DFADRP C[NH2+]Cc1cccc(NC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)c1 ZINC000415946192 428633607 /nfs/dbraw/zinc/63/36/07/428633607.db2.gz SZFMSDHMTOVFCH-ALOPSCKCSA-N 2 0 316.449 2.543 20 0 DFADRP C[NH2+]Cc1ccc(NC(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)cc1 ZINC000415971519 428636883 /nfs/dbraw/zinc/63/68/83/428636883.db2.gz KDZVQYGTQSBFCO-MRXNPFEDSA-N 2 0 320.481 2.894 20 0 DFADRP C[C@@H]([NH2+]C1CCC([NH+](C)C)CC1)c1ccc([S@@](C)=O)cc1 ZINC000353645716 428635979 /nfs/dbraw/zinc/63/59/79/428635979.db2.gz PTHMXJNGCVYNMK-QUFDESECSA-N 2 0 308.491 2.947 20 0 DFADRP C[NH2+]Cc1ccc(NC(=O)NC2CC[NH+](CC(C)C)CC2)cc1 ZINC000415989991 428644551 /nfs/dbraw/zinc/64/45/51/428644551.db2.gz MPBIQKVWKNSABT-UHFFFAOYSA-N 2 0 318.465 2.648 20 0 DFADRP COc1ccc2c(c1)C[C@@H]([NH2+]CCCCC[NH+]1CCCC1)CO2 ZINC000297190566 274124885 /nfs/dbraw/zinc/12/48/85/274124885.db2.gz FIULLWLVAUBGBQ-QGZVFWFLSA-N 2 0 318.461 2.854 20 0 DFADRP C[C@H]([NH2+][C@H]1CCn2ccnc2C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000348184470 428645534 /nfs/dbraw/zinc/64/55/34/428645534.db2.gz GSGRSMYEERAZHC-UHOSZYNNSA-N 2 0 324.472 2.698 20 0 DFADRP CC[N@@H+]1CC[C@@H](N(C)C(=O)Nc2ccc3c(c2)C[NH2+]C3)C[C@H]1C ZINC000416000281 428646301 /nfs/dbraw/zinc/64/63/01/428646301.db2.gz WQZPERYIIFWAAT-CXAGYDPISA-N 2 0 316.449 2.626 20 0 DFADRP C[NH2+]Cc1ccc(NC(=O)NCC[N@@H+]2CCCC(C)(C)C2)cc1 ZINC000416015833 428649613 /nfs/dbraw/zinc/64/96/13/428649613.db2.gz ULINXMLVVFYSIR-UHFFFAOYSA-N 2 0 318.465 2.650 20 0 DFADRP C[C@H]1CN(Cc2ccccc2)C[C@H]1[NH2+]C1CCC([NH+](C)C)CC1 ZINC000353670611 428649720 /nfs/dbraw/zinc/64/97/20/428649720.db2.gz IDEQKPQOSCFDID-CMTQZCSUSA-N 2 0 315.505 2.969 20 0 DFADRP Cc1c[nH+]ccc1N(C)C[C@@H]1CCC[N@H+](C)[C@@H]1c1ccnn1C ZINC000344462724 428651923 /nfs/dbraw/zinc/65/19/23/428651923.db2.gz VQSCBTPHAIIPDU-YJBOKZPZSA-N 2 0 313.449 2.643 20 0 DFADRP C[C@@H](C[NH2+][C@H]1CCc2cc(Cl)ccc21)N1CC[NH+](C)CC1 ZINC000127744967 274225936 /nfs/dbraw/zinc/22/59/36/274225936.db2.gz WKOAJGOANJARQA-GUYCJALGSA-N 2 0 307.869 2.553 20 0 DFADRP CSC1(C[NH2+][C@@H]2CC[N@H+](C[C@H]3CCCO3)C[C@H]2C)CCC1 ZINC000373896849 428653997 /nfs/dbraw/zinc/65/39/97/428653997.db2.gz HZFQZJCWOFZUGX-BZUAXINKSA-N 2 0 312.523 2.751 20 0 DFADRP CC1CC[NH+](CCCNC(=O)C2(C[NH+](C)C)CCCCC2)CC1 ZINC000358747743 428655412 /nfs/dbraw/zinc/65/54/12/428655412.db2.gz XDRSLAANHCMGOQ-UHFFFAOYSA-N 2 0 323.525 2.737 20 0 DFADRP C[C@@H](C(=O)N1CCCCCC1)[N@@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000374074865 428662424 /nfs/dbraw/zinc/66/24/24/428662424.db2.gz NYXIXQSPWHKVJX-KRWDZBQOSA-N 2 0 321.509 2.585 20 0 DFADRP C[C@H]1CN(c2cc[nH+]c3ccccc32)CCN1C1CC[NH+](C)CC1 ZINC000374253978 428671097 /nfs/dbraw/zinc/67/10/97/428671097.db2.gz CIZXDSIQALYMLG-INIZCTEOSA-N 2 0 324.472 2.840 20 0 DFADRP CCCC[N@H+](C)C[C@@H](C)NC(=O)C[C@@H](c1ccccc1)[NH+](C)C ZINC000416233976 428696233 /nfs/dbraw/zinc/69/62/33/428696233.db2.gz LJFYASYQIVXQMW-AEFFLSMTSA-N 2 0 319.493 2.916 20 0 DFADRP C[C@H](c1cccnc1)[NH+]1CCC(C)(C[NH+]2CCOCC2)CC1 ZINC000362308175 428697393 /nfs/dbraw/zinc/69/73/93/428697393.db2.gz BJPCNVXTRNONHW-MRXNPFEDSA-N 2 0 303.450 2.577 20 0 DFADRP CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)C[C@H](c2ccccc2)[NH+](C)C)C1 ZINC000416241671 428698530 /nfs/dbraw/zinc/69/85/30/428698530.db2.gz DLSKDTMNXUUNJY-QZTJIDSGSA-N 2 0 317.477 2.621 20 0 DFADRP C[C@@H]1C[C@H](C[N@H+]2C[C@@H]3C[NH+](Cc4ccccc4)C[C@@H]3C2)CCO1 ZINC000348315345 428705144 /nfs/dbraw/zinc/70/51/44/428705144.db2.gz ITOFRRGFWQDWFV-AFYVEPGGSA-N 2 0 314.473 2.865 20 0 DFADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CCC2(F)CCC2)[C@H](C)C1 ZINC000348326288 428706915 /nfs/dbraw/zinc/70/69/15/428706915.db2.gz MMQFGGQWEZKCEJ-HZPDHXFCSA-N 2 0 300.462 2.995 20 0 DFADRP CCC[N@H+](CC)Cc1ccc(C(=O)NCC2([NH+](C)C)CC2)cc1 ZINC000416302650 428710911 /nfs/dbraw/zinc/71/09/11/428710911.db2.gz PHXBNWVMBJBVCF-UHFFFAOYSA-N 2 0 317.477 2.743 20 0 DFADRP CC[C@@H]1CC[C@H]1[NH2+]Cc1ccccc1C[N@@H+]1CCC[C@@H]1CO ZINC000348385929 428727983 /nfs/dbraw/zinc/72/79/83/428727983.db2.gz WWVDWFRIFPKNHE-ATZDWAIDSA-N 2 0 302.462 2.922 20 0 DFADRP CC1CC[NH+](CCCC[NH2+][C@H]2CCCc3nn(C)cc32)CC1 ZINC000358915014 428729660 /nfs/dbraw/zinc/72/96/60/428729660.db2.gz NJKAFFSHHHJABV-KRWDZBQOSA-N 2 0 304.482 2.899 20 0 DFADRP CC[N@@H+]1C[C@H](C)N(C(=O)C[C@H](c2ccccc2)[NH+](C)C)C[C@@H]1C ZINC000416184250 428686447 /nfs/dbraw/zinc/68/64/47/428686447.db2.gz NIJBSGRSWZGRRI-XYJFISCASA-N 2 0 317.477 2.621 20 0 DFADRP CC[NH+]1CCC(N(C)C(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC000362485916 428766496 /nfs/dbraw/zinc/76/64/96/428766496.db2.gz HPFXFPNDBPSLGS-MRXNPFEDSA-N 2 0 321.509 2.584 20 0 DFADRP CCOC(=O)C1(C)CCC([NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000353915736 428775245 /nfs/dbraw/zinc/77/52/45/428775245.db2.gz OCAFIVWONODFJB-KSTDHSDQSA-N 2 0 308.466 2.572 20 0 DFADRP OCC[C@@H]1CC[N@H+](Cc2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC000411308996 428775561 /nfs/dbraw/zinc/77/55/61/428775561.db2.gz JAOQDGGPVCSDOL-IBGZPJMESA-N 2 0 302.462 2.877 20 0 DFADRP COC[C@](C)(CCO)[NH2+]Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000411320787 428775864 /nfs/dbraw/zinc/77/58/64/428775864.db2.gz CDUJXOQXRUARHK-IBGZPJMESA-N 2 0 320.477 2.550 20 0 DFADRP CC(C)[N@@H+]1CCc2nc(CN(C)C[C@@H]3CCC[C@H]3O)sc2C1 ZINC000374907212 428781005 /nfs/dbraw/zinc/78/10/05/428781005.db2.gz DTYZUQNSPXLAJZ-DZGCQCFKSA-N 2 0 323.506 2.502 20 0 DFADRP C[C@@H]([NH2+]CCN1CC[NH+](Cc2ccccc2)CC1)C1CCC1 ZINC000353943380 428786845 /nfs/dbraw/zinc/78/68/45/428786845.db2.gz ILUOOJVZPPINJN-QGZVFWFLSA-N 2 0 301.478 2.582 20 0 DFADRP Cc1cccc(NC[C@H]2CCC[NH+]2CC[C@H]2CCC[N@H+]2C)n1 ZINC000362400188 428734660 /nfs/dbraw/zinc/73/46/60/428734660.db2.gz FQJDYSASXJRPEC-IAGOWNOFSA-N 2 0 302.466 2.751 20 0 DFADRP C[NH+](C)CCNC(=O)C1CC[NH+](CCCC2CCCCC2)CC1 ZINC000345189602 428792186 /nfs/dbraw/zinc/79/21/86/428792186.db2.gz OVRYWYSLVIFQID-UHFFFAOYSA-N 2 0 323.525 2.737 20 0 DFADRP C[NH+](C)CCOc1cc(C[NH2+][C@@H]2CC[C@H]2C(C)(C)C)ccn1 ZINC000348423504 428740500 /nfs/dbraw/zinc/74/05/00/428740500.db2.gz VGGNSEQBQOHDNH-HZPDHXFCSA-N 2 0 305.466 2.936 20 0 DFADRP C[C@H]([NH2+][C@H](CO)CC(F)F)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000348443522 428745573 /nfs/dbraw/zinc/74/55/73/428745573.db2.gz XNUXENYAVZGKSU-BPUTZDHNSA-N 2 0 312.404 2.503 20 0 DFADRP CC[N@@H+]1CC[C@H]([NH2+]Cc2ccc(OCCCOC)cc2)[C@@H](C)C1 ZINC000353851803 428746851 /nfs/dbraw/zinc/74/68/51/428746851.db2.gz ANJJFNNUFSXSDK-LPHOPBHVSA-N 2 0 320.477 2.922 20 0 DFADRP C[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCCN(C(=O)C[NH+]2CCC(C)CC2)C1 ZINC000353856240 428749881 /nfs/dbraw/zinc/74/98/81/428749881.db2.gz VWNAKZQROPVBBR-FGTMMUONSA-N 2 0 321.509 2.582 20 0 DFADRP CCCC[N@H+](CC(N)=O)Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000411171410 428751168 /nfs/dbraw/zinc/75/11/68/428751168.db2.gz DMIQRVIXYUPSQM-UHFFFAOYSA-N 2 0 317.477 2.760 20 0 DFADRP OC1(CC[NH+]2CCN(c3cc[nH+]c4ccccc43)CC2)CCC1 ZINC000411725308 428846481 /nfs/dbraw/zinc/84/64/81/428846481.db2.gz VYURTLFYNBZXAJ-UHFFFAOYSA-N 2 0 311.429 2.662 20 0 DFADRP CC(C)C[C@@H](C[NH+](C)C)NC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC000362624087 428794799 /nfs/dbraw/zinc/79/47/99/428794799.db2.gz QXUIGHBQFVFYSC-FUHWJXTLSA-N 2 0 323.525 2.876 20 0 DFADRP CC[NH+]1CCC(NC(=O)C[NH2+][C@H](C)c2ccc(C)c(C)c2)CC1 ZINC000411445481 428799760 /nfs/dbraw/zinc/79/97/60/428799760.db2.gz NALNVIZNWFAWQQ-MRXNPFEDSA-N 2 0 317.477 2.555 20 0 DFADRP C[C@@H](O)[C@@H]1CC[N@H+](Cc2cccc(C[NH+]3CCCCC3)c2)C1 ZINC000411500036 428808428 /nfs/dbraw/zinc/80/84/28/428808428.db2.gz SAWHBKUKCGMVGV-VQIMIIECSA-N 2 0 302.462 2.875 20 0 DFADRP CCC[N@H+](C)C[C@@H]1CCN(Cc2cnc3cccc(C)n23)C1 ZINC000354009083 428817283 /nfs/dbraw/zinc/81/72/83/428817283.db2.gz KTQBBSIYTZZSNY-INIZCTEOSA-N 2 0 300.450 2.806 20 0 DFADRP CC[NH+](CC)CCOC1CC[NH+](Cc2scnc2C)CC1 ZINC000354035093 428832066 /nfs/dbraw/zinc/83/20/66/428832066.db2.gz VTUMSCUPEHILGL-UHFFFAOYSA-N 2 0 311.495 2.774 20 0 DFADRP CCc1nc(CN(CC[NH+](C)C)C[C@@H]2CCC[N@H+]2CC)cs1 ZINC000349059126 428908859 /nfs/dbraw/zinc/90/88/59/428908859.db2.gz BJQATLQZBOHZGG-INIZCTEOSA-N 2 0 324.538 2.553 20 0 DFADRP CCO[C@@H](CC[NH+](C)C)C[NH2+][C@@H](c1ccc(F)cn1)C(C)C ZINC000354085613 428856350 /nfs/dbraw/zinc/85/63/50/428856350.db2.gz JTJXCXXPOWXDES-DOTOQJQBSA-N 2 0 311.445 2.864 20 0 DFADRP CCc1ccccc1C[N@@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@@H]21 ZINC000375345072 428859537 /nfs/dbraw/zinc/85/95/37/428859537.db2.gz KVFCSBYMBLBCTF-CEXWTWQISA-N 2 0 302.462 2.933 20 0 DFADRP CCNC(=O)C(C)(C)[NH2+]Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000411814072 428863275 /nfs/dbraw/zinc/86/32/75/428863275.db2.gz GSUMJHAUJCCNTP-UHFFFAOYSA-N 2 0 317.477 2.677 20 0 DFADRP CC[NH+](CC)CCO[C@@H]1CC[N@H+](Cc2cccc(COC)c2)C1 ZINC000354108286 428864976 /nfs/dbraw/zinc/86/49/76/428864976.db2.gz UMVMEYFDAQOATC-LJQANCHMSA-N 2 0 320.477 2.766 20 0 DFADRP Cc1cccc(NC[C@@H]2CC[N@H+](CCC3CC[NH2+]CC3)C2)n1 ZINC000359210409 428865915 /nfs/dbraw/zinc/86/59/15/428865915.db2.gz BYWRERITNAPNPB-KRWDZBQOSA-N 2 0 302.466 2.514 20 0 DFADRP CC1CC[NH+](C[C@@H]2CCC[N@H+](CCC3CC[NH2+]CC3)C2)CC1 ZINC000359213087 428866047 /nfs/dbraw/zinc/86/60/47/428866047.db2.gz GYZLKCZXOASWEP-LJQANCHMSA-N 3 0 307.526 2.820 20 0 DFADRP C[C@@H]1C[N@H+](CCC2CC[NH2+]CC2)C[C@H](c2ccc(F)cc2)O1 ZINC000359229819 428877618 /nfs/dbraw/zinc/87/76/18/428877618.db2.gz ZLBSROOEQIBEPZ-RDTXWAMCSA-N 2 0 306.425 2.977 20 0 DFADRP C[N@@H+]1CCC[C@H](C[NH2+]CCCn2ccnc2)[C@H]1c1ccccc1 ZINC000375487511 428898063 /nfs/dbraw/zinc/89/80/63/428898063.db2.gz QQMCAMVQSSSGNB-RTBURBONSA-N 3 0 312.461 2.946 20 0 DFADRP CC(C)[C@@H](C(=O)Nc1cccc2c1OCC[C@@H]2[NH+](C)C)[NH+](C)C ZINC000345501108 428912161 /nfs/dbraw/zinc/91/21/61/428912161.db2.gz FAZGSBGEHPYILK-HOTGVXAUSA-N 2 0 319.449 2.597 20 0 DFADRP Cn1ccnc1CN(CC[NH+](C)C)Cc1cccc(Cl)c1 ZINC000349063602 428912191 /nfs/dbraw/zinc/91/21/91/428912191.db2.gz QWAURQLHHBFCGJ-UHFFFAOYSA-N 2 0 306.841 2.637 20 0 DFADRP CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](CC(C)C)[NH+](CC)CC ZINC000349091629 428918840 /nfs/dbraw/zinc/91/88/40/428918840.db2.gz YSIVRRPROGTXKJ-SJORKVTESA-N 2 0 311.514 2.734 20 0 DFADRP CC[N@@H+]1CC[C@H]([NH+](C)CCC(=O)Nc2ccc(F)cc2)C[C@H]1C ZINC000354222006 428923062 /nfs/dbraw/zinc/92/30/62/428923062.db2.gz IGHKKKFCAOQOOX-PBHICJAKSA-N 2 0 321.440 2.959 20 0 DFADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NCCCC[NH+]1CCCC[C@H]1C ZINC000349117044 428924892 /nfs/dbraw/zinc/92/48/92/428924892.db2.gz JDLCVQAQLZPDEG-IAGOWNOFSA-N 2 0 309.498 2.632 20 0 DFADRP CCC[N@@H+]1CCC[C@H]1C(=O)NCCCC[NH+]1C[C@H](C)C[C@H](C)C1 ZINC000349115839 428924953 /nfs/dbraw/zinc/92/49/53/428924953.db2.gz DZISJCGOOBIXAO-KSZLIROESA-N 2 0 323.525 2.735 20 0 DFADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CC[NH+](CC2CCCCC2)CC1 ZINC000349141977 428926499 /nfs/dbraw/zinc/92/64/99/428926499.db2.gz GOWOAJRCGJYMRA-GOSISDBHSA-N 2 0 321.509 2.585 20 0 DFADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NC1CC[NH+](CC2CCCC2)CC1 ZINC000349141973 428926748 /nfs/dbraw/zinc/92/67/48/428926748.db2.gz GOCJXSKXYWGOQH-GOSISDBHSA-N 2 0 321.509 2.632 20 0 DFADRP CC(C)c1nccn1C[C@@H]1CCC[N@@H+]1CC[C@@H]1CCC[NH+]1C ZINC000363480354 428926818 /nfs/dbraw/zinc/92/68/18/428926818.db2.gz XIZSPMWSTLYNSC-IRXDYDNUSA-N 2 0 304.482 2.955 20 0 DFADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NCc1cccc(C[NH+](C)CC)c1 ZINC000349147415 428930605 /nfs/dbraw/zinc/93/06/05/428930605.db2.gz XTLIIYIZCLGORM-GOSISDBHSA-N 2 0 317.477 2.629 20 0 DFADRP C[NH+]1CCC([C@H]2CCN(Cc3cc(C(F)(F)F)n[nH]3)C2)CC1 ZINC000349157590 428932513 /nfs/dbraw/zinc/93/25/13/428932513.db2.gz ZATMBSCTADGVQE-LBPRGKRZSA-N 2 0 316.371 2.592 20 0 DFADRP CCOC(=O)c1ccc(CN2C[C@@H]3C[N@@H+](C)C[C@@H]3C2)cc1Cl ZINC000375689342 428944083 /nfs/dbraw/zinc/94/40/83/428944083.db2.gz DDBPFZLJHRLYBZ-OKILXGFUSA-N 2 0 322.836 2.510 20 0 DFADRP Cc1nn(C)c(C)c1CN1C[C@@H]2C[N@H+](C)[C@H](c3ccccc3)[C@H]2C1 ZINC000363572904 428944166 /nfs/dbraw/zinc/94/41/66/428944166.db2.gz KXXUILVPPDCKJD-YSIASYRMSA-N 2 0 324.472 2.772 20 0 DFADRP C[C@H](CC[NH2+][C@@H]1CCN(C2CC[NH+](C)CC2)C1)c1ccccc1 ZINC000375716546 428950505 /nfs/dbraw/zinc/95/05/05/428950505.db2.gz CKFLSFVZGFBTRO-IEBWSBKVSA-N 2 0 315.505 2.938 20 0 DFADRP CC(C)[C@H](C(=O)NCC[NH+](C(C)C)C(C)C)[NH+]1CCCCC1 ZINC000354279290 428953541 /nfs/dbraw/zinc/95/35/41/428953541.db2.gz BTJMGFFIOKPQSR-QGZVFWFLSA-N 2 0 311.514 2.732 20 0 DFADRP Nc1cc(C[N@@H+]2CCCC[C@H]2[C@H](C[NH3+])Cc2ccccc2)ccn1 ZINC000420314874 428957401 /nfs/dbraw/zinc/95/74/01/428957401.db2.gz RBMWCIZJXSZDAL-OALUTQOASA-N 2 0 324.472 2.836 20 0 DFADRP COc1ccc(O[C@H](C)C[NH2+][C@@H]2CC[N@H+](C)[C@H]3CCC[C@H]32)cc1 ZINC000375782950 428972320 /nfs/dbraw/zinc/97/23/20/428972320.db2.gz PEJUYUXLBGTHPB-FDPIWHGQSA-N 2 0 318.461 2.925 20 0 DFADRP C[N@@H+](C/C=C\c1ccc(F)cc1F)CCCN1CC[NH+](C)CC1 ZINC000349334650 428964736 /nfs/dbraw/zinc/96/47/36/428964736.db2.gz SRDKYMMVIAJUCA-HYXAFXHYSA-N 2 0 323.431 2.547 20 0 DFADRP CC[C@H]([NH2+][C@H](C)CCN1CC[NH+](C)CC1)c1cccc(OC)c1 ZINC000349344730 428966632 /nfs/dbraw/zinc/96/66/32/428966632.db2.gz UHUFDBVHOZEVKC-APWZRJJASA-N 2 0 319.493 2.762 20 0 DFADRP Fc1ccc(N2CCC([NH2+][C@@H]3CCCC[NH2+]C3)CC2)c(F)c1 ZINC000423550419 428972453 /nfs/dbraw/zinc/97/24/53/428972453.db2.gz IKHZDUNWAYVBJP-OAHLLOKOSA-N 2 0 309.404 2.665 20 0 DFADRP COc1cc(C)c(C[C@@H](C)[NH2+]CCC2=CC[NH2+]CC2)cc1OC ZINC000423546824 428968098 /nfs/dbraw/zinc/96/80/98/428968098.db2.gz ZMPOLJCPTVHXNX-OAHLLOKOSA-N 2 0 318.461 2.843 20 0 DFADRP COC[C@H]([NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)c1ccc(F)c(F)c1 ZINC000423547135 428969047 /nfs/dbraw/zinc/96/90/47/428969047.db2.gz PQYKIAOWDIRPDG-OEUWWYETSA-N 2 0 310.388 2.630 20 0 DFADRP CC(C)[C@H]([NH2+]CCC[NH2+]C1CC1)c1ccc2[nH]c(=O)oc2c1 ZINC000423546494 428969122 /nfs/dbraw/zinc/96/91/22/428969122.db2.gz FJAWAEFOHIUTCN-INIZCTEOSA-N 2 0 303.406 2.962 20 0 DFADRP Cc1cc(N2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)c2ccccc2[nH+]1 ZINC000375907158 429015182 /nfs/dbraw/zinc/01/51/82/429015182.db2.gz RNEINNVNGJEQOZ-IEBWSBKVSA-N 2 0 311.429 2.579 20 0 DFADRP C[NH+](C)CCN(Cc1cccs1)C(=O)C[C@@H]1CCCC[C@H]1[NH3+] ZINC000423776657 429016164 /nfs/dbraw/zinc/01/61/64/429016164.db2.gz QOLGIODDAKCUSL-GOEBONIOSA-N 2 0 323.506 2.546 20 0 DFADRP CCO[C@@H]1COCC[C@@H]1[NH2+]C1CC[NH+]([C@H]2CCC[C@@H](C)C2)CC1 ZINC000354984685 429021935 /nfs/dbraw/zinc/02/19/35/429021935.db2.gz QCOOACCCTZHYQD-XGXHKWSGSA-N 2 0 324.509 2.813 20 0 DFADRP CCC[NH+]1CCC(C[NH2+]Cc2ccc(-c3cc[nH]n3)o2)CC1 ZINC000433312805 429023077 /nfs/dbraw/zinc/02/30/77/429023077.db2.gz SEZUTGLDTZJRIP-UHFFFAOYSA-N 2 0 302.422 2.881 20 0 DFADRP CC(C)OCCOC1CC[NH+](CCC[NH+]2CCCCC2)CC1 ZINC000451951002 429024056 /nfs/dbraw/zinc/02/40/56/429024056.db2.gz JTNOHXDEMHTXMR-UHFFFAOYSA-N 2 0 312.498 2.768 20 0 DFADRP CC[NH+]1CCN(CC(C)(C)[NH2+]CCCc2cccc(F)c2)CC1 ZINC000451989408 429031961 /nfs/dbraw/zinc/03/19/61/429031961.db2.gz QMAHTJDXWQFEBC-UHFFFAOYSA-N 2 0 321.484 2.764 20 0 DFADRP CC[C@H]1CC[C@H]1[NH2+]CC1(N)CC[NH+](Cc2ccccc2)CC1 ZINC000423570144 428973681 /nfs/dbraw/zinc/97/36/81/428973681.db2.gz NEWIQIFUYUNJOE-ZWKOTPCHSA-N 2 0 301.478 2.758 20 0 DFADRP CN(CC[N@@H+]1CCOC(C)(C)C1)c1cc[nH+]c2cc(F)ccc21 ZINC000432947319 428974898 /nfs/dbraw/zinc/97/48/98/428974898.db2.gz ZUSXNOGUMDQKAY-UHFFFAOYSA-N 2 0 317.408 2.921 20 0 DFADRP C[C@@H]([NH2+]CCC1=CC[NH2+]CC1)c1ccc2c(c1)OCCCO2 ZINC000423572022 428975612 /nfs/dbraw/zinc/97/56/12/428975612.db2.gz YBZCMXBCEVPTJM-CQSZACIVSA-N 2 0 302.418 2.808 20 0 DFADRP CC[NH+](CC)CCC[N@H+](CC)C[C@@H]1CCO[C@@H]1c1ccnn1C ZINC000349386335 428977935 /nfs/dbraw/zinc/97/79/35/428977935.db2.gz RSQOVUSATLVZND-WMZOPIPTSA-N 2 0 322.497 2.552 20 0 DFADRP C[N@@H+]1CC[C@H]([NH2+]CCCCNc2ccccn2)[C@@H]2CCC[C@H]21 ZINC000375801277 428978840 /nfs/dbraw/zinc/97/88/40/428978840.db2.gz IPGCTDXWYHCGTI-YESZJQIVSA-N 2 0 302.466 2.736 20 0 DFADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CC2(SC)CCC2)[C@H](C)C1 ZINC000433093686 428994101 /nfs/dbraw/zinc/99/41/01/428994101.db2.gz RQIDGWDTUBUWCS-HZPDHXFCSA-N 2 0 314.539 2.999 20 0 DFADRP C[C@H](CCC[NH3+])NC(=O)C1(C)CC[NH+](Cc2ccccc2)CC1 ZINC000423695425 428997716 /nfs/dbraw/zinc/99/77/16/428997716.db2.gz VTYMBWAYENMGSB-MRXNPFEDSA-N 2 0 317.477 2.532 20 0 DFADRP CC[C@@H](C)[C@H](C)N(C(=O)CCC[NH+]1CCC([NH3+])CC1)C1CC1 ZINC000433136935 428998312 /nfs/dbraw/zinc/99/83/12/428998312.db2.gz RIDVTBYUCXOFSI-CABCVRRESA-N 2 0 309.498 2.615 20 0 DFADRP Cc1ccnc(NC[C@@H]2CC[NH+](CC[C@@H]3CCCC[N@H+]3C)C2)c1 ZINC000375868826 429000931 /nfs/dbraw/zinc/00/09/31/429000931.db2.gz HAIWKCDTHTUCSA-ROUUACIJSA-N 2 0 316.493 2.998 20 0 DFADRP [NH3+]C1CC[NH+](CCCC(=O)N[C@@H](c2cccs2)C2CC2)CC1 ZINC000433146128 429001399 /nfs/dbraw/zinc/00/13/99/429001399.db2.gz TXOKYJACVXDXQZ-QGZVFWFLSA-N 2 0 321.490 2.519 20 0 DFADRP C[N@@H+]1CC[C@H]([NH2+]CCc2ccc3c(c2)CCO3)[C@@H]2CCC[C@@H]21 ZINC000375859858 429001680 /nfs/dbraw/zinc/00/16/80/429001680.db2.gz FTGAVHVSFNHVTA-BZSNNMDCSA-N 2 0 300.446 2.626 20 0 DFADRP CCC[C@@H]1CCC[C@@H]1[NH2+]Cc1ccnc(N2CC[NH+](C)CC2)c1 ZINC000433152228 429002020 /nfs/dbraw/zinc/00/20/20/429002020.db2.gz QQYZYXMUBOCFMG-MSOLQXFVSA-N 2 0 316.493 2.892 20 0 DFADRP C[C@@H]1CC[C@H](C)[N@H+]1[C@H]1CCCN(C(=O)C[C@@H]2CCC[NH2+]CC2)C1 ZINC000423724606 429005059 /nfs/dbraw/zinc/00/50/59/429005059.db2.gz HBPZGBHROYGWHL-XDNAFOTISA-N 2 0 321.509 2.630 20 0 DFADRP C[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCCN(C(=O)C[C@H]2CCCC[C@H]2[NH3+])C1 ZINC000423721062 429005142 /nfs/dbraw/zinc/00/51/42/429005142.db2.gz BKEGRIRVKWPCHK-CWQOZTLDSA-N 2 0 321.509 2.758 20 0 DFADRP CC(C)[C@@H](C[NH3+])C(=O)Nc1cccc(C[NH+]2CCCCC2)c1 ZINC000433178251 429006964 /nfs/dbraw/zinc/00/69/64/429006964.db2.gz WHJPKUYORLSYNB-QGZVFWFLSA-N 2 0 303.450 2.842 20 0 DFADRP CC1(C)CC([NH2+]CCCN2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000433178684 429007033 /nfs/dbraw/zinc/00/70/33/429007033.db2.gz SEHYMNMRCWFUAC-UHFFFAOYSA-N 2 0 315.505 2.973 20 0 DFADRP Cc1ccccc1C[N@H+]1CC[C@@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000375891535 429007220 /nfs/dbraw/zinc/00/72/20/429007220.db2.gz RFICSMWGBJUHRA-LJQANCHMSA-N 2 0 301.478 2.595 20 0 DFADRP C[NH+](C)Cc1ccccc1C(=O)NCCC[NH+]1CCCCCC1 ZINC000433179875 429007453 /nfs/dbraw/zinc/00/74/53/429007453.db2.gz YWEMUEFLNNOQTK-UHFFFAOYSA-N 2 0 317.477 2.744 20 0 DFADRP CC(C)[NH+]1CCN([C@@H]2CC[N@@H+]([C@H](C)c3cccc(F)c3)C2)CC1 ZINC000375888013 429009266 /nfs/dbraw/zinc/00/92/66/429009266.db2.gz FJILGLKWHYLUJR-VQIMIIECSA-N 2 0 319.468 2.987 20 0 DFADRP CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)C[C@@H]1CCC[C@H]1[NH3+] ZINC000423751653 429009485 /nfs/dbraw/zinc/00/94/85/429009485.db2.gz ZCAJMFWWHVOAID-ZWKOTPCHSA-N 2 0 317.477 2.614 20 0 DFADRP O=C(CC[C@H]1CC[NH2+]C1)Nc1cccc(CC[NH+]2CCCC2)c1 ZINC000423767774 429014297 /nfs/dbraw/zinc/01/42/97/429014297.db2.gz DUJMXCHOENMBLA-KRWDZBQOSA-N 2 0 315.461 2.653 20 0 DFADRP C[C@H]([NH2+]C[C@H]1CCC[C@@H]([NH3+])C1)c1ccc(OCC[NH+](C)C)cc1 ZINC000423453227 429090190 /nfs/dbraw/zinc/09/01/90/429090190.db2.gz AKAOSQIQWTZKMK-XYJFISCASA-N 2 0 319.493 2.795 20 0 DFADRP C[C@@H]([NH2+][C@@H](C)CCC[NH3+])c1ccc(OCc2nccn2C)cc1 ZINC000423454676 429090298 /nfs/dbraw/zinc/09/02/98/429090298.db2.gz LVZXUTXAFSOSGU-LSDHHAIUSA-N 2 0 316.449 2.777 20 0 DFADRP C[C@H]([NH2+]C[C@@H]1CCC[C@@H]([NH3+])C1)c1cccc(N2CCCC2=O)c1 ZINC000423462922 429090324 /nfs/dbraw/zinc/09/03/24/429090324.db2.gz PTDOHEIJAUBYRW-ZMSDIMECSA-N 2 0 315.461 2.982 20 0 DFADRP CCOC(=O)c1oc2c(c1C)[C@H]([NH2+][C@H](C)CCC[NH3+])CCC2 ZINC000423455265 429090471 /nfs/dbraw/zinc/09/04/71/429090471.db2.gz MHQQUNGHLSJRGU-DGCLKSJQSA-N 2 0 308.422 2.859 20 0 DFADRP O=C1CC[C@@H]([NH2+]CCC[C@H]2CCC[NH2+]2)c2cc(F)ccc2N1 ZINC000423466460 429092116 /nfs/dbraw/zinc/09/21/16/429092116.db2.gz AOXISZXJPZTHOC-UKRRQHHQSA-N 2 0 305.397 2.721 20 0 DFADRP Cn1ccc([C@@H]([NH2+]CCC[C@@H]2CCC[NH2+]2)c2ccc(F)cc2)n1 ZINC000423478806 429093680 /nfs/dbraw/zinc/09/36/80/429093680.db2.gz LPRRGCCHIBPCPA-WMZOPIPTSA-N 2 0 316.424 2.770 20 0 DFADRP C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)[C@@H]1CCCC[C@]1(C)[NH3+] ZINC000423847313 429035745 /nfs/dbraw/zinc/03/57/45/429035745.db2.gz PZQOQFPVSBJWPU-AYBZRNKSSA-N 2 0 317.477 2.531 20 0 DFADRP CCC[C@H]([NH2+]C(C)C)C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000355232869 429036204 /nfs/dbraw/zinc/03/62/04/429036204.db2.gz HJXUQNZMEHHWKU-FGTMMUONSA-N 2 0 317.477 2.715 20 0 DFADRP C[C@@H]1CCC(C)(C)[N@@H+]1CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000452005811 429036872 /nfs/dbraw/zinc/03/68/72/429036872.db2.gz KMCCIQXJGXYZOH-WBVHZDCISA-N 2 0 317.477 2.668 20 0 DFADRP COC[C@@H]1CCCC[NH+]1C/C=C\C[N@H+]1CCCC[C@H]1COC ZINC000452043298 429043005 /nfs/dbraw/zinc/04/30/05/429043005.db2.gz VFDNMLLJHVKAOM-OPDSQHBBSA-N 2 0 310.482 2.544 20 0 DFADRP Cc1[nH+]ccc(N2CC[C@@H]([NH+]3CCN(C)CC3)[C@H](C)C2)c1Cl ZINC000355096503 274858815 /nfs/dbraw/zinc/85/88/15/274858815.db2.gz OLQGICQCNQWKSL-UKRRQHHQSA-N 2 0 322.884 2.506 20 0 DFADRP C[C@H]([NH2+]CC(=O)NC1CC[NH+](C2CC2)CC1)[C@@H]1CCC[C@H](C)C1 ZINC000452066647 429046768 /nfs/dbraw/zinc/04/67/68/429046768.db2.gz LLFLQHVGPRMYCB-HRCADAONSA-N 2 0 321.509 2.534 20 0 DFADRP C[C@H]([NH2+][C@@H]1CC[C@@H](C[NH3+])C1)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000423489982 429096681 /nfs/dbraw/zinc/09/66/81/429096681.db2.gz HCBUNJFLUXGLMI-OUCADQQQSA-N 2 0 301.434 2.694 20 0 DFADRP c1ccc2nc(NCC[NH2+][C@@H]3CCC[C@H]3[C@H]3CCC[NH2+]3)ccc2c1 ZINC000422923501 429052610 /nfs/dbraw/zinc/05/26/10/429052610.db2.gz WJMGHMKHKZPIGZ-BHIYHBOVSA-N 2 0 324.472 3.157 20 0 DFADRP COc1ccc([C@H](C)[NH2+][C@H]2CCCC[C@H]2C[NH3+])cc1NC(C)=O ZINC000423277534 429056653 /nfs/dbraw/zinc/05/66/53/429056653.db2.gz OJVWDKZIBYGVQG-RCBQFDQVSA-N 2 0 319.449 2.822 20 0 DFADRP CCC[C@H]([NH2+]C(C)C)C(=O)N[C@@H](CC(C)C)C[NH+]1CCCC1 ZINC000452341799 429096895 /nfs/dbraw/zinc/09/68/95/429096895.db2.gz FJGNSPNIJZFQJJ-IRXDYDNUSA-N 2 0 311.514 2.780 20 0 DFADRP C[C@@H]([NH2+]Cc1ccc([C@H](C)[NH3+])cc1)c1ccc(-n2cnnn2)cc1 ZINC000423291778 429059017 /nfs/dbraw/zinc/05/90/17/429059017.db2.gz JUKRHAAADALSTE-UONOGXRCSA-N 2 0 322.416 2.533 20 0 DFADRP C[C@H]([NH3+])c1ccc(C(=O)NCCC[N@@H+]2CCCC[C@H]2C)cc1 ZINC000423311467 429060652 /nfs/dbraw/zinc/06/06/52/429060652.db2.gz TYPGOKBXRMQDNK-CABCVRRESA-N 2 0 303.450 2.701 20 0 DFADRP C[C@H](C[NH3+])C[NH2+][C@@H]1CCCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000423306558 429061320 /nfs/dbraw/zinc/06/13/20/429061320.db2.gz LTZBMNTYPXBVMT-BTHPGYMESA-N 2 0 315.505 2.862 20 0 DFADRP C[C@H](C[NH3+])C[NH2+][C@H]1CCc2c1ccc(F)c2Br ZINC000423308127 429061365 /nfs/dbraw/zinc/06/13/65/429061365.db2.gz NXUCKNOLPJNNIN-PELKAZGASA-N 2 0 301.203 2.760 20 0 DFADRP C[C@H](C[NH3+])C[NH2+][C@H]1CCc2c1cc(Br)cc2F ZINC000423297096 429061505 /nfs/dbraw/zinc/06/15/05/429061505.db2.gz IRUGJELZYGUYPE-OQPBUACISA-N 2 0 301.203 2.760 20 0 DFADRP CC[N@H+](Cc1ccc(C(=O)N(C)[C@@H](C[NH3+])C2CC2)cc1)C(C)C ZINC000423947891 429062122 /nfs/dbraw/zinc/06/21/22/429062122.db2.gz LFHVKDHOGOAPHC-SFHVURJKSA-N 2 0 317.477 2.726 20 0 DFADRP C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)[C@H]1[NH2+]CCCC1(C)C ZINC000423321050 429062196 /nfs/dbraw/zinc/06/21/96/429062196.db2.gz FXMSKWXDGPDQMQ-HZPDHXFCSA-N 2 0 309.498 2.535 20 0 DFADRP [NH3+][C@H](CN[C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21)C1CC1 ZINC000423322142 429062584 /nfs/dbraw/zinc/06/25/84/429062584.db2.gz NQPHQMURZRHOHP-MTQWCTHYSA-N 2 0 313.489 2.614 20 0 DFADRP [NH3+][C@@H](C[NH2+][C@@H]1CCc2cc(Br)ccc2C1)C1CC1 ZINC000423319069 429062977 /nfs/dbraw/zinc/06/29/77/429062977.db2.gz LNVWTKZOXSQBAL-CABCVRRESA-N 2 0 309.251 2.633 20 0 DFADRP Cn1cc([C@@H]([NH2+]CC2(C)CC[NH2+]CC2)c2cccc(F)c2)cn1 ZINC000423319780 429063717 /nfs/dbraw/zinc/06/37/17/429063717.db2.gz DXJYDAFMNXBKCI-KRWDZBQOSA-N 2 0 316.424 2.628 20 0 DFADRP C[C@@H]([NH2+]C[C@]1(C)CCC[NH2+]C1)c1ccc2c(c1)OCCCO2 ZINC000423320516 429063849 /nfs/dbraw/zinc/06/38/49/429063849.db2.gz FJIZFAZIIPDAIP-RDTXWAMCSA-N 2 0 304.434 2.888 20 0 DFADRP C[N@H+](CC[C@H]1CCC[NH+]1C)C1CCN(CCC(F)(F)F)CC1 ZINC000452119524 429064138 /nfs/dbraw/zinc/06/41/38/429064138.db2.gz QGOXRLDBSXZEKR-CQSZACIVSA-N 2 0 321.431 2.819 20 0 DFADRP Cc1cc(Br)cc2c1[C@H]([NH2+]C[C@@H]1CC[NH2+]C1)CC2 ZINC000423324645 429064948 /nfs/dbraw/zinc/06/49/48/429064948.db2.gz BDRWXFAMINRMAN-BXUZGUMPSA-N 2 0 309.251 2.944 20 0 DFADRP [NH3+]C1(CN[C@@H]2CC[N@H+](Cc3ccccc3)[C@H]3CCC[C@@H]32)CCC1 ZINC000423324111 429065046 /nfs/dbraw/zinc/06/50/46/429065046.db2.gz IIOJJDVUXIVVLZ-QRVBRYPASA-N 2 0 313.489 2.901 20 0 DFADRP C[C@H]([NH2+]CC1=CC[NH2+]CC1)c1ncc(Br)cc1F ZINC000423331154 429065994 /nfs/dbraw/zinc/06/59/94/429065994.db2.gz CKVHCXMCMNCMCL-VIFPVBQESA-N 2 0 314.202 2.554 20 0 DFADRP C[C@@H]1CCC[N@H+](Cc2ccc(NC(=O)[C@@H]([NH3+])C3CCC3)cc2)C1 ZINC000423341356 429066808 /nfs/dbraw/zinc/06/68/08/429066808.db2.gz UFSFLZBROHOUDQ-KDOFPFPSSA-N 2 0 315.461 2.984 20 0 DFADRP COCCOc1ccc([C@H](C)[NH2+]CC2(C)CC[NH2+]CC2)cc1 ZINC000423340216 429067355 /nfs/dbraw/zinc/06/73/55/429067355.db2.gz VNLPFYPZBKYUMS-HNNXBMFYSA-N 2 0 306.450 2.752 20 0 DFADRP CCN(CC)C(=O)Nc1ccc([C@@H](C)[NH2+]C[C@@H]2CC[NH2+]C2)cc1 ZINC000423341058 429067801 /nfs/dbraw/zinc/06/78/01/429067801.db2.gz MHWONBSFUZNBLS-HUUCEWRRSA-N 2 0 318.465 2.820 20 0 DFADRP C[C@@H]1CCCC[N@@H+]1Cc1ccc(NC(=O)[C@]23C[C@H]2CC[NH2+]3)cc1 ZINC000423340679 429067913 /nfs/dbraw/zinc/06/79/13/429067913.db2.gz SXOAIWHDEMEQQZ-OGWOLHLISA-N 2 0 313.445 2.752 20 0 DFADRP CC1CC[NH+](Cc2ccc(NC(=O)[C@]34C[C@H]3CC[NH2+]4)cc2)CC1 ZINC000423333729 429068009 /nfs/dbraw/zinc/06/80/09/429068009.db2.gz OHLGOFIJWRERAX-APWZRJJASA-N 2 0 313.445 2.609 20 0 DFADRP C[C@H]([NH2+]CCCC[NH3+])c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000423342068 429069147 /nfs/dbraw/zinc/06/91/47/429069147.db2.gz UXZDKGOQTXPKKU-AWEZNQCLSA-N 2 0 324.490 2.792 20 0 DFADRP C[C@@H](CNC(=O)[C@H]([NH3+])CC1CCCCC1)[N@@H+]1CCC[C@@H](C)C1 ZINC000423343726 429070510 /nfs/dbraw/zinc/07/05/10/429070510.db2.gz XDKJXSABGZSVPN-HLLBOEOZSA-N 2 0 309.498 2.521 20 0 DFADRP C[N@@H+]1CCCC[C@H]1CCC(=O)NCCCCC[NH+]1CCCC1 ZINC000452149730 429070895 /nfs/dbraw/zinc/07/08/95/429070895.db2.gz MVAXSCKANTUUJR-KRWDZBQOSA-N 2 0 309.498 2.633 20 0 DFADRP CC(C)[C@H](C(=O)NCc1cccc(C[N@H+](C)C(C)C)c1)[C@H](C)[NH3+] ZINC000423356373 429071611 /nfs/dbraw/zinc/07/16/11/429071611.db2.gz GPVDULMDGMCADP-YJBOKZPZSA-N 2 0 319.493 2.762 20 0 DFADRP CC[NH+](CC)C[C@@H](C)NC(=O)C(C)(C)[C@H]([NH3+])c1ccccc1 ZINC000423357309 429071693 /nfs/dbraw/zinc/07/16/93/429071693.db2.gz SEKHDEAXWBDMJU-GDBMZVCRSA-N 2 0 305.466 2.559 20 0 DFADRP CC[NH+](CC)CC1CCN(c2cc(N3CCCC3)ncn2)CC1 ZINC000434094150 429071921 /nfs/dbraw/zinc/07/19/21/429071921.db2.gz ZZVDKNULMPLYPV-UHFFFAOYSA-N 2 0 317.481 2.635 20 0 DFADRP C[C@@H]([NH3+])c1ccc(C(=O)NCC[N@H+](C)Cc2ccccc2)cc1 ZINC000423356586 429071934 /nfs/dbraw/zinc/07/19/34/429071934.db2.gz QUOLGFUSELQEFH-OAHLLOKOSA-N 2 0 311.429 2.568 20 0 DFADRP C[N@H+](Cc1ccccc1)C1CCC([NH2+]CC2=CC[NH2+]CC2)CC1 ZINC000423354727 429072050 /nfs/dbraw/zinc/07/20/50/429072050.db2.gz NYGRIXIVCJXYSF-UHFFFAOYSA-N 3 0 313.489 2.939 20 0 DFADRP CC(C)[N@@H+]1CCC[C@H](CNC(=O)[C@@H]([NH3+])CC2CCCCC2)C1 ZINC000423363736 429072114 /nfs/dbraw/zinc/07/21/14/429072114.db2.gz VCWHTZHGGVUARV-SJORKVTESA-N 2 0 309.498 2.521 20 0 DFADRP COc1ccc([C@H](C)[C@H](C)[NH2+]CC[C@H]2CCC[NH2+]2)cc1OC ZINC000423355642 429072139 /nfs/dbraw/zinc/07/21/39/429072139.db2.gz FQDQYGWYWNJNPZ-IJEWVQPXSA-N 2 0 306.450 2.928 20 0 DFADRP C[C@H](Cc1ccccc1)[NH+]1CCC(N[C@@H]2CC[NH2+]C[C@H]2C)CC1 ZINC000423363124 429072293 /nfs/dbraw/zinc/07/22/93/429072293.db2.gz BMLLCJYAZFISQJ-MBOZVWFJSA-N 2 0 315.505 2.670 20 0 DFADRP CCCC[N@H+](C)CCNC(=O)C(C)(C)[C@H]([NH3+])c1ccccc1 ZINC000423372170 429074446 /nfs/dbraw/zinc/07/44/46/429074446.db2.gz GVVUETDYWNLLNQ-MRXNPFEDSA-N 2 0 305.466 2.561 20 0 DFADRP [NH3+][C@@H](CC1CCCCC1)C(=O)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000423379321 429077874 /nfs/dbraw/zinc/07/78/74/429077874.db2.gz XDDDUQAMXLOADM-SFHVURJKSA-N 2 0 321.509 2.761 20 0 DFADRP C[C@@H]1C[C@H](N[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)CC[NH2+]1 ZINC000423382248 429077909 /nfs/dbraw/zinc/07/79/09/429077909.db2.gz OTGUPKBTVWHJKK-ISARSNTHSA-N 3 0 301.478 2.627 20 0 DFADRP FC(F)(F)[C@@H](C[NH2+][C@@H]1CCCC12CCCC2)N1CC[NH2+]CC1 ZINC000423387899 429080052 /nfs/dbraw/zinc/08/00/52/429080052.db2.gz KIEJNCKZHOUNBY-ZIAGYGMSSA-N 2 0 319.415 2.525 20 0 DFADRP CCC[C@H]([NH2+]C[C@@H]1C[NH2+]C[C@H]1O)c1cccc(C(F)(F)F)c1 ZINC000423408535 429080784 /nfs/dbraw/zinc/08/07/84/429080784.db2.gz OUVNLGXFYAVUFO-AEGPPILISA-N 2 0 316.367 2.717 20 0 DFADRP CCCC[C@H](C)[C@H](C)[NH2+]C[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000423398711 429080809 /nfs/dbraw/zinc/08/08/09/429080809.db2.gz UEQJVOROZDTHSW-MELADBBJSA-N 2 0 309.420 2.627 20 0 DFADRP COCC1(C[NH2+][C@H](C)C(C)(C)c2ccccc2)CC[NH2+]CC1 ZINC000423406990 429080871 /nfs/dbraw/zinc/08/08/71/429080871.db2.gz LKVACYICWTUDEP-MRXNPFEDSA-N 2 0 304.478 2.959 20 0 DFADRP C[C@@H]([NH3+])c1ccc(C(=O)N2CCC([C@@H]3[NH2+]CC3(C)C)CC2)cc1 ZINC000424046203 429081140 /nfs/dbraw/zinc/08/11/40/429081140.db2.gz VISDMWAHIOCLBS-DYVFJYSZSA-N 2 0 315.461 2.557 20 0 DFADRP C[C@@H]1[C@H](N[C@H]2CCC[NH2+][C@H]2C)CCC[N@@H+]1Cc1ccccc1 ZINC000423398732 429081107 /nfs/dbraw/zinc/08/11/07/429081107.db2.gz VIKHUJOUVGAQKS-OGWHTMIXSA-N 2 0 301.478 2.770 20 0 DFADRP C[C@@H]1C[NH2+]CC[C@@H]1[NH2+][C@@H]1C[C@@H](OCc2ccccc2)C1(C)C ZINC000423403415 429081409 /nfs/dbraw/zinc/08/14/09/429081409.db2.gz SEYSXCDFRRCQLB-BZZMCLGOSA-N 2 0 302.462 2.958 20 0 DFADRP C[C@H]([NH2+][C@H]1CC[NH2+]C[C@H]1C)c1ccc(NC(=O)NC2CC2)cc1 ZINC000423408084 429082036 /nfs/dbraw/zinc/08/20/36/429082036.db2.gz WVJIKNMSKRKSMY-IGCXYCKISA-N 2 0 316.449 2.619 20 0 DFADRP C[C@H]([NH2+]CCC[C@H]1CCC[NH2+]1)c1cccc(OCC[NH+](C)C)c1 ZINC000423485365 429097508 /nfs/dbraw/zinc/09/75/08/429097508.db2.gz RMMSDLVIEDKSLF-WMZOPIPTSA-N 2 0 319.493 2.810 20 0 DFADRP CC(C)[C@H](C(=O)Nc1cccc(OCCC[NH+](C)C)c1)[C@@H](C)[NH3+] ZINC000423407523 429082275 /nfs/dbraw/zinc/08/22/75/429082275.db2.gz MMWXQWMXQREMRL-PBHICJAKSA-N 2 0 321.465 2.575 20 0 DFADRP COCC1(C[NH2+][C@H](C)c2cc3c(s2)CCC3)CC[NH2+]CC1 ZINC000423411442 429083069 /nfs/dbraw/zinc/08/30/69/429083069.db2.gz UPDKIKNFQZCUGR-CYBMUJFWSA-N 2 0 308.491 2.904 20 0 DFADRP O[C@@H]1C[NH2+]C[C@@H]1C[NH2+][C@H](c1ccc(Cl)c(Cl)c1)C1CC1 ZINC000423411698 429083934 /nfs/dbraw/zinc/08/39/34/429083934.db2.gz VCQPMGLEKFCKTN-DFBGVHRSSA-N 2 0 315.244 2.614 20 0 DFADRP COC[C@@]1(C[NH2+][C@H](Cc2ccccc2C)C2CC2)CCC[NH2+]1 ZINC000423415828 429084751 /nfs/dbraw/zinc/08/47/51/429084751.db2.gz PNJQSSLTYPMCAL-MOPGFXCFSA-N 2 0 302.462 2.674 20 0 DFADRP [NH3+][C@@H](CC1CCCCC1)C(=O)N[C@H]1CC[N@H+](CC2CCCC2)C1 ZINC000423419294 429085143 /nfs/dbraw/zinc/08/51/43/429085143.db2.gz VOYQBPHXOFKBOD-ROUUACIJSA-N 2 0 321.509 2.665 20 0 DFADRP C[C@H]([NH2+]C[C@@H]1C[NH2+]C[C@@H]1O)c1ccc(-c2ccccc2)s1 ZINC000423437355 429086463 /nfs/dbraw/zinc/08/64/63/429086463.db2.gz UJYVRZYRLWKYFK-QEJZJMRPSA-N 2 0 302.443 2.646 20 0 DFADRP CCCN(C(=O)CC[C@H]([NH3+])CC1CCCCC1)[C@@H]1CC[NH2+]C1 ZINC000424075629 429086516 /nfs/dbraw/zinc/08/65/16/429086516.db2.gz JXPHZQHSJNVQEP-DLBZAZTESA-N 2 0 309.498 2.665 20 0 DFADRP C[C@@H]([NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1)c1ccc(F)cc1N(C)C ZINC000423434970 429087435 /nfs/dbraw/zinc/08/74/35/429087435.db2.gz KXCWYUJACWRUCS-OAUYIBNBSA-N 2 0 305.441 2.930 20 0 DFADRP CC[NH+](CC)C[C@H]1CCN(C(=O)c2ccc([C@H](C)[NH3+])cc2)C1 ZINC000423433489 429087876 /nfs/dbraw/zinc/08/78/76/429087876.db2.gz JVZARZAPEFBCPB-LSDHHAIUSA-N 2 0 303.450 2.510 20 0 DFADRP C[C@H]([NH3+])C1CCN(C(=O)CC[C@@H]([NH3+])CC2CCCCC2)CC1 ZINC000424077027 429088992 /nfs/dbraw/zinc/08/89/92/429088992.db2.gz MYKKGJJEERGQLU-WMLDXEAASA-N 2 0 309.498 2.650 20 0 DFADRP Cc1ccc([C@H](CCn2cncn2)[NH2+][C@@H](C)CCCC[NH3+])cc1 ZINC000423445192 429089018 /nfs/dbraw/zinc/08/90/18/429089018.db2.gz XQQCOSBFVYXUJL-WMZOPIPTSA-N 2 0 315.465 2.825 20 0 DFADRP CC(C)[N@H+](C)CCC[NH2+][C@@H]1CCC[C@H]1NC(=O)OC(C)(C)C ZINC000494695855 429144381 /nfs/dbraw/zinc/14/43/81/429144381.db2.gz YOWXLGAMUFXRSD-HUUCEWRRSA-N 2 0 313.486 2.752 20 0 DFADRP COC(C[N@H+](C)CC1(C)CC[NH+](Cc2ccccc2)CC1)OC ZINC000363993916 429153119 /nfs/dbraw/zinc/15/31/19/429153119.db2.gz DUOHPWTWIJVNMC-UHFFFAOYSA-N 2 0 320.477 2.839 20 0 DFADRP CCN(CC(=O)Nc1ccc(C)c(F)c1)[C@@H]1CCC[NH2+]CC1 ZINC000435613351 429153190 /nfs/dbraw/zinc/15/31/90/429153190.db2.gz JJTFGZKQIXUVFS-OAHLLOKOSA-N 2 0 307.413 2.537 20 0 DFADRP CN(CC(=O)Nc1cccc2ccccc21)[C@@H]1CCC[NH2+]CC1 ZINC000435616120 429153293 /nfs/dbraw/zinc/15/32/93/429153293.db2.gz LFTSNNWGURKTTI-MRXNPFEDSA-N 2 0 311.429 2.852 20 0 DFADRP CCc1cccc(CC)c1NC(=O)CN(C)[C@@H]1CCC[NH2+]CC1 ZINC000435618186 429153310 /nfs/dbraw/zinc/15/33/10/429153310.db2.gz RWYLTVZNEHMDJE-QGZVFWFLSA-N 2 0 317.477 2.824 20 0 DFADRP C[N@H+](CCCc1nc(-c2ccccc2)no1)[C@H]1CCC[NH2+]CC1 ZINC000435620350 429153694 /nfs/dbraw/zinc/15/36/94/429153694.db2.gz BHFQIZOELQRSAL-INIZCTEOSA-N 2 0 314.433 2.743 20 0 DFADRP C[C@@H]([NH2+][C@H](CN)C1CCCC1)c1cccc(OCC[NH+](C)C)c1 ZINC000423498006 429098112 /nfs/dbraw/zinc/09/81/12/429098112.db2.gz AVXBAGJOBPCBOA-DNVCBOLYSA-N 2 0 319.493 2.795 20 0 DFADRP C[C@]1(CNC(=O)CC[C@@H]([NH3+])CC2CCCCC2)CCC[NH2+]C1 ZINC000424140263 429098076 /nfs/dbraw/zinc/09/80/76/429098076.db2.gz FDVZKRSTCJNBSW-AEFFLSMTSA-N 2 0 309.498 2.570 20 0 DFADRP COc1cc(C)c(C[C@H](C)[NH2+][C@@H]2CC[C@@H](C[NH3+])C2)cc1OC ZINC000423493530 429098432 /nfs/dbraw/zinc/09/84/32/429098432.db2.gz BRVKCOYKWKKHGS-SQWLQELKSA-N 2 0 306.450 2.660 20 0 DFADRP C[C@@H]1C[C@@H](NC(=O)CC[C@H]([NH3+])CC2CCCCC2)C[N@@H+]1C1CC1 ZINC000424138976 429098721 /nfs/dbraw/zinc/09/87/21/429098721.db2.gz CTWDVHAKBMWYCZ-HYVNUMGLSA-N 2 0 321.509 2.806 20 0 DFADRP CC[N@@H+]1CCC[C@@H]1CNC(=O)CC[C@@H]([NH3+])CC1CCCCC1 ZINC000424144295 429098823 /nfs/dbraw/zinc/09/88/23/429098823.db2.gz XDFFDRIIBUYCKN-IAGOWNOFSA-N 2 0 309.498 2.665 20 0 DFADRP Clc1ccccc1C[C@@H]([NH2+]C[C@@H]1C[NH2+]CCCO1)C1CC1 ZINC000423496727 429099166 /nfs/dbraw/zinc/09/91/66/429099166.db2.gz XKFJDVBSEPISLR-DOTOQJQBSA-N 2 0 308.853 2.629 20 0 DFADRP CC[N@H+](CCNC(=O)CC[C@@H]([NH3+])CC1CCCCC1)C(C)C ZINC000424156178 429100572 /nfs/dbraw/zinc/10/05/72/429100572.db2.gz NUUNODJHDHQOTH-QGZVFWFLSA-N 2 0 311.514 2.911 20 0 DFADRP C[C@@H](c1cccc(N2CCOCC2)c1)[N@@H+]1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000423506196 429101111 /nfs/dbraw/zinc/10/11/11/429101111.db2.gz HUVQWXSGUVFMTQ-JTDSTZFVSA-N 2 0 317.477 2.501 20 0 DFADRP c1ccc([C@@H]([NH2+]C2CCC([NH+]3CCNCC3)CC2)C2CC2)cc1 ZINC000423499896 429101301 /nfs/dbraw/zinc/10/13/01/429101301.db2.gz BOPMPILBZASJNV-SOAGJPPSSA-N 2 0 313.489 2.944 20 0 DFADRP CC[NH+](CC)CCOCC[NH2+]Cc1c(F)cc(C)cc1F ZINC000424164880 429102270 /nfs/dbraw/zinc/10/22/70/429102270.db2.gz FDICDIDPWYOPAO-UHFFFAOYSA-N 2 0 300.393 2.721 20 0 DFADRP C[C@@H]1Cc2ccccc2[C@@H]1[NH2+]C1CCC([NH+]2CCNCC2)CC1 ZINC000423510512 429102956 /nfs/dbraw/zinc/10/29/56/429102956.db2.gz MMRIKDLWASYYAN-CNXCKVANSA-N 2 0 313.489 2.726 20 0 DFADRP CCc1ccccc1[C@H]([NH3+])CN[C@@H]1CC[N@H+](C)[C@H]2CCC[C@@H]21 ZINC000423508867 429103187 /nfs/dbraw/zinc/10/31/87/429103187.db2.gz QZJIAEYKSYORBB-MKXGPGLRSA-N 2 0 301.478 2.711 20 0 DFADRP C[C@@H]1[C@H]([NH2+][C@H]2CC[C@@H](C[NH3+])C2)CCCN1Cc1ccccc1 ZINC000423507463 429103411 /nfs/dbraw/zinc/10/34/11/429103411.db2.gz MUBJMIQHJGQHIH-OQIJWPOYSA-N 2 0 301.478 2.757 20 0 DFADRP C[C@@H]1CN([C@@H]2CCC[N@H+](Cc3ccccc3)[C@@H]2C)C[C@@]1(C)C[NH3+] ZINC000423507372 429104291 /nfs/dbraw/zinc/10/42/91/429104291.db2.gz JSXLSWSVAQWXIT-HNBVOPMISA-N 2 0 315.505 2.956 20 0 DFADRP C[C@H]([NH2+]C1CCC(N2CC[NH2+]CC2)CC1)c1ccc(Cl)cn1 ZINC000423511019 429104425 /nfs/dbraw/zinc/10/44/25/429104425.db2.gz NAYRIHOCRRXOOA-JEYLPNPQSA-N 2 0 322.884 2.602 20 0 DFADRP COCCOc1ccc([C@@H](C)[N@@H+]2C[C@@H](C)[C@](C)(C[NH3+])C2)cc1 ZINC000423510786 429104619 /nfs/dbraw/zinc/10/46/19/429104619.db2.gz OAXSAAQPPATJGP-IIDMSEBBSA-N 2 0 306.450 2.690 20 0 DFADRP C[C@H](c1ccc(OCC[NH+](C)C)cc1)[N@@H+]1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000423514216 429106708 /nfs/dbraw/zinc/10/67/08/429106708.db2.gz SNLQUVIZOOCTLM-GPMSIDNRSA-N 3 0 319.493 2.605 20 0 DFADRP CO[C@@H]1[C@@H](C)[C@H]([NH2+]CC2([NH3+])C3CC4CC(C3)CC2C4)C12CCC2 ZINC000423530666 429110386 /nfs/dbraw/zinc/11/03/86/429110386.db2.gz RQPBSRWONAMDJV-JBBDOVMSSA-N 2 0 318.505 2.933 20 0 DFADRP C[C@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]CCC2=CC[NH2+]CC2)CC1 ZINC000423535108 429110707 /nfs/dbraw/zinc/11/07/07/429110707.db2.gz CBEYUFKVWPQLKN-LPHOPBHVSA-N 3 0 305.510 2.929 20 0 DFADRP CCO[C@@H]1C[C@@H]([NH2+]CC2([NH3+])C3CC4CC(C3)CC2C4)C1(C)C ZINC000423531592 429110901 /nfs/dbraw/zinc/11/09/01/429110901.db2.gz SXAXCJLZKKJJQS-OKCMZBEQSA-N 2 0 306.494 2.933 20 0 DFADRP COc1c(C)cnc(C[N@@H+]2CC3(C[C@@H]2C)CC[NH2+]CC3)c1C ZINC000424291276 429120780 /nfs/dbraw/zinc/12/07/80/429120780.db2.gz NIQAUXVFKGLSPM-AWEZNQCLSA-N 2 0 303.450 2.671 20 0 DFADRP CC(C)CCC[C@@H](C)NC(=O)C[N@@H+]1CC2(C[C@H]1C)CC[NH2+]CC2 ZINC000424297387 429121209 /nfs/dbraw/zinc/12/12/09/429121209.db2.gz SNIJMYNOXHGBIQ-IAGOWNOFSA-N 2 0 323.525 2.781 20 0 DFADRP CC(C)N(C(=O)C[N@@H+]1CC2(C[C@@H]1C)CC[NH2+]CC2)C1CCCC1 ZINC000424288681 429121362 /nfs/dbraw/zinc/12/13/62/429121362.db2.gz KYLDAQYKCGXWOG-INIZCTEOSA-N 2 0 321.509 2.630 20 0 DFADRP CCC[N@H+](C)C[C@@H]1CCN(C[C@H](C[NH3+])c2ccc(F)cc2)C1 ZINC000424303231 429122893 /nfs/dbraw/zinc/12/28/93/429122893.db2.gz NPSAVKFNLLXFKW-RDJZCZTQSA-N 2 0 307.457 2.532 20 0 DFADRP [NH3+]C[C@@H](CN1CCC(C[NH+]2CCCC2)CC1)c1ccc(F)cc1 ZINC000424301983 429123242 /nfs/dbraw/zinc/12/32/42/429123242.db2.gz LOVATIPUTDYWMB-SFHVURJKSA-N 2 0 319.468 2.676 20 0 DFADRP C[C@@H]1CC2(C[N@@H+]1CCC(=O)Nc1ccccc1F)CC[NH2+]CC2 ZINC000424299917 429123287 /nfs/dbraw/zinc/12/32/87/429123287.db2.gz WFBJFKQKTAIVQE-CQSZACIVSA-N 2 0 319.424 2.618 20 0 DFADRP COc1ccc(OCC[N@@H+]2CC3(C[C@H]2C)CC[NH2+]CC3)cc1 ZINC000424300511 429123329 /nfs/dbraw/zinc/12/33/29/429123329.db2.gz WMLCITNTDNYHCG-OAHLLOKOSA-N 2 0 304.434 2.538 20 0 DFADRP CCOC(=O)CC(C)(C)CC[N@@H+]1C[C@@H]2C[NH+]3CCCC[C@@H]3[C@H]2C1 ZINC000376515939 429127745 /nfs/dbraw/zinc/12/77/45/429127745.db2.gz WDJNLQLUJTWFTH-IXDOHACOSA-N 2 0 322.493 2.772 20 0 DFADRP C[NH+](C)Cc1cccc(-c2nc(C3([NH3+])CCCCC3)no2)c1 ZINC000424343023 429129288 /nfs/dbraw/zinc/12/92/88/429129288.db2.gz ITUHZMPMMZGABC-UHFFFAOYSA-N 2 0 300.406 2.916 20 0 DFADRP CCC[C@H](C)NC(=O)[C@@H]1CCC[N@H+](CC[C@H]2CCCC[NH+]2C)C1 ZINC000435331567 429131059 /nfs/dbraw/zinc/13/10/59/429131059.db2.gz IBXAKPCTYVYYJK-RCCFBDPRSA-N 2 0 323.525 2.878 20 0 DFADRP C[C@H](N[C@@H]1CCCC[C@H]1[NH3+])[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000424378159 429131946 /nfs/dbraw/zinc/13/19/46/429131946.db2.gz SJHUJGBQTFCHOG-GDAAHCPNSA-N 2 0 301.478 2.757 20 0 DFADRP CCc1ccccc1NC(=O)C[C@H](C)[NH2+][C@@H]1CCCC[C@H]1[NH3+] ZINC000424367512 429132287 /nfs/dbraw/zinc/13/22/87/429132287.db2.gz MKWNLCNEBCXTPX-YSVLISHTSA-N 2 0 303.450 2.826 20 0 DFADRP C[C@H]1C[C@H](C[NH3+])C[N@@H+]1Cc1ccccc1OCc1cccnc1 ZINC000435370801 429132587 /nfs/dbraw/zinc/13/25/87/429132587.db2.gz KDHBKBBRBNGLRI-DOTOQJQBSA-N 2 0 311.429 2.830 20 0 DFADRP COc1ccc(-c2ccncc2)cc1C[N@@H+]1C[C@H](C[NH3+])C[C@H]1C ZINC000435373659 429133020 /nfs/dbraw/zinc/13/30/20/429133020.db2.gz NWTLVTMBFNOKJE-CABCVRRESA-N 2 0 311.429 2.926 20 0 DFADRP COc1cc(C)c(C[C@@H](C)[NH2+][C@@H]2CCCC[C@H]2[NH3+])cc1OC ZINC000424381737 429133408 /nfs/dbraw/zinc/13/34/08/429133408.db2.gz ZMNOSOLYEVVWJU-FVQBIDKESA-N 2 0 306.450 2.803 20 0 DFADRP CCC1(CC)[C@H]([NH2+]Cc2cc(C3CC[NH2+]CC3)no2)C[C@@H]1OC ZINC000424379880 429133879 /nfs/dbraw/zinc/13/38/79/429133879.db2.gz PKFHDJJJWQCMFM-SJORKVTESA-N 2 0 321.465 2.825 20 0 DFADRP CCCn1nc(C)c(C[N@@H+]2CC3(C[C@H]2C)CC[NH2+]CC3)c1C ZINC000424378894 429134037 /nfs/dbraw/zinc/13/40/37/429134037.db2.gz ODYBLPITPRABPR-CQSZACIVSA-N 2 0 304.482 2.874 20 0 DFADRP C[C@@H](C[NH+]1CCC(n2ncc3c2C[NH2+]C3)CC1)c1ccccc1 ZINC000424382774 429134705 /nfs/dbraw/zinc/13/47/05/429134705.db2.gz SOLZZBJHDZUDHB-HNNXBMFYSA-N 2 0 310.445 2.927 20 0 DFADRP Cc1ccc(-c2n[nH]cc2C[N@@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)o1 ZINC000435377807 429135279 /nfs/dbraw/zinc/13/52/79/429135279.db2.gz FKJQGFINFPEXRP-NWANDNLSSA-N 2 0 300.406 2.537 20 0 DFADRP CCN(Cc1cn(-c2cc[nH+]cc2)nc1C)[C@@H]1CCC[NH2+]CC1 ZINC000435384725 429135472 /nfs/dbraw/zinc/13/54/72/429135472.db2.gz NXNIWNNBFQTRPK-QGZVFWFLSA-N 2 0 313.449 2.540 20 0 DFADRP Cc1ccc(-c2n[nH]cc2C[NH+]2CCC([C@@H]3CCC[NH2+]3)CC2)o1 ZINC000435377097 429137711 /nfs/dbraw/zinc/13/77/11/429137711.db2.gz YBDZZRUGNXMIIJ-INIZCTEOSA-N 2 0 314.433 2.942 20 0 DFADRP COc1cc2[nH+]ccc(N[C@H](C)[C@H](C)[NH3+])c2cc1Br ZINC000424415021 429138236 /nfs/dbraw/zinc/13/82/36/429138236.db2.gz RUKGIJYVKGWTNN-DTWKUNHWSA-N 2 0 324.222 2.575 20 0 DFADRP CCCC[N@H+](C)C[C@@H](C)NC(=O)Nc1cc(C)cc(C[NH3+])c1 ZINC000424425918 429140009 /nfs/dbraw/zinc/14/00/09/429140009.db2.gz KRHKPBKMINEJSJ-CQSZACIVSA-N 2 0 306.454 2.696 20 0 DFADRP CCC[N@H+](CC)C[C@H](C)NC(=O)Nc1cc(C)cc(C[NH3+])c1 ZINC000424430070 429142168 /nfs/dbraw/zinc/14/21/68/429142168.db2.gz YYSMWJQNHMPQTO-AWEZNQCLSA-N 2 0 306.454 2.696 20 0 DFADRP C[N@H+](Cc1ccc(Oc2cnccn2)cc1)[C@H]1CCC[NH2+]CC1 ZINC000435436694 429142693 /nfs/dbraw/zinc/14/26/93/429142693.db2.gz HBVBHIHUMAFHJM-INIZCTEOSA-N 2 0 312.417 2.843 20 0 DFADRP C[C@H]([NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccc(C(=O)N(C)C)cc1 ZINC000494888652 429161538 /nfs/dbraw/zinc/16/15/38/429161538.db2.gz IKOVSDLSCBZWNK-BMGDILEWSA-N 2 0 315.461 2.666 20 0 DFADRP CC[NH+](CC)CCOC1CC[NH+](C/C=C\c2ccncc2)CC1 ZINC000494938418 429164628 /nfs/dbraw/zinc/16/46/28/429164628.db2.gz OKWFJYULBZFPPM-WAYWQWQTSA-N 2 0 317.477 2.918 20 0 DFADRP CCC(CC)[C@@H](C[NH2+][C@H]1CCC(=O)NC1(C)C)[NH+]1CCCC1 ZINC000494923029 429165181 /nfs/dbraw/zinc/16/51/81/429165181.db2.gz MJEOAGDCLSZKIS-CVEARBPZSA-N 2 0 309.498 2.534 20 0 DFADRP c1ccc(COC2CC([NH2+][C@H]3CC[N@@H+]4CCC[C@H]4C3)C2)cc1 ZINC000364072068 429165880 /nfs/dbraw/zinc/16/58/80/429165880.db2.gz HLIMMXILCCEICH-BMHOQUIDSA-N 2 0 300.446 2.951 20 0 DFADRP O[C@@H]1CCC[C@@H]1[NH+]1CCC([NH2+][C@@H]2CCc3ccccc32)CC1 ZINC000271497483 275053372 /nfs/dbraw/zinc/05/33/72/275053372.db2.gz LMHJWIRYTZQUKS-CEXWTWQISA-N 2 0 300.446 2.641 20 0 DFADRP C[C@H](Cc1ccccc1)C[NH+]1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000364330101 429182485 /nfs/dbraw/zinc/18/24/85/429182485.db2.gz UFQMNXWGJFTQKN-QUCCMNQESA-N 2 0 315.505 2.577 20 0 DFADRP C[NH+](C)CCCC[NH2+]C[C@]1(C)CCN(C(=O)OC(C)(C)C)C1 ZINC000495458768 429210213 /nfs/dbraw/zinc/21/02/13/429210213.db2.gz NADPEYATUVSXCA-KRWDZBQOSA-N 2 0 313.486 2.565 20 0 DFADRP COCCOc1ccc([C@H](C)[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000364438452 429204870 /nfs/dbraw/zinc/20/48/70/429204870.db2.gz AUUXEBZXAQJIMY-RYQLBKOJSA-N 2 0 318.461 2.989 20 0 DFADRP O[C@@H]1CCC[C@@H]1[NH+]1CCC([NH2+]C2CCC(C(F)F)CC2)CC1 ZINC000442825743 429236670 /nfs/dbraw/zinc/23/66/70/429236670.db2.gz LWVYKHWLSROOLE-FPCDFSMTSA-N 2 0 316.436 2.778 20 0 DFADRP C[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]CC2([S@](C)=O)CC2)CC1 ZINC000442819525 429236892 /nfs/dbraw/zinc/23/68/92/429236892.db2.gz IIVDBSVTORWQGA-ZJTDPSCFSA-N 2 0 312.523 2.530 20 0 DFADRP [NH3+]CC[C@@H]1CCC[N@H+](Cc2c[nH]nc2-c2ccccc2F)C1 ZINC000442929569 429240181 /nfs/dbraw/zinc/24/01/81/429240181.db2.gz RUMAOOXIWKBMRL-ZDUSSCGKSA-N 2 0 302.397 2.777 20 0 DFADRP CCCc1noc(CN2CC[C@@H](CNc3cc(C)cc[nH+]3)C2)n1 ZINC000364729516 429256803 /nfs/dbraw/zinc/25/68/03/429256803.db2.gz XVONADHEJYWTAX-AWEZNQCLSA-N 2 0 315.421 2.660 20 0 DFADRP c1ccc2c(c1)cccc2CCC[NH+]1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000489823104 429262707 /nfs/dbraw/zinc/26/27/07/429262707.db2.gz FMDMCRLDWPZXRM-FQEVSTJZSA-N 2 0 323.484 2.752 20 0 DFADRP CC[NH+](CC)CCOC1CC[NH+](Cc2cncn2C(C)C)CC1 ZINC000425329641 429264539 /nfs/dbraw/zinc/26/45/39/429264539.db2.gz ABURQPJEYXZSIS-UHFFFAOYSA-N 2 0 322.497 2.787 20 0 DFADRP CC1CC[NH+](CC(=O)Nc2ccc3c(c2)CC[C@H]3[NH+](C)C)CC1 ZINC000456275952 429269271 /nfs/dbraw/zinc/26/92/71/429269271.db2.gz NOIFIHPYQOACHK-GOSISDBHSA-N 2 0 315.461 2.906 20 0 DFADRP CC(C)[N@H+](C)CCC[NH2+][C@@H](C)C1CN(C(=O)OC(C)(C)C)C1 ZINC000495801427 429269764 /nfs/dbraw/zinc/26/97/64/429269764.db2.gz CQBVJYAXUKECOS-AWEZNQCLSA-N 2 0 313.486 2.562 20 0 DFADRP CCC[C@@H](C(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C)[NH+](C)C ZINC000456283366 429270279 /nfs/dbraw/zinc/27/02/79/429270279.db2.gz SQJVQNSMPIFZOB-SJORKVTESA-N 2 0 303.450 2.904 20 0 DFADRP CCC[C@H](C(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C)[NH+](C)C ZINC000456283361 429270473 /nfs/dbraw/zinc/27/04/73/429270473.db2.gz SQJVQNSMPIFZOB-DLBZAZTESA-N 2 0 303.450 2.904 20 0 DFADRP CS[C@H]1CC[C@@H]1[NH2+]Cc1ccccc1C[NH+]1CCC(O)CC1 ZINC000425352979 429274199 /nfs/dbraw/zinc/27/41/99/429274199.db2.gz MYMOWGFORYLOTI-ROUUACIJSA-N 2 0 320.502 2.627 20 0 DFADRP CCN1CC[NH+](CCCC[NH2+]Cc2cccc3ccoc32)CC1 ZINC000449075361 429325362 /nfs/dbraw/zinc/32/53/62/429325362.db2.gz DZUJFRGZKLECHA-UHFFFAOYSA-N 2 0 315.461 2.940 20 0 DFADRP C[NH2+][C@H](CC(C)(C)C)C(=O)NCC(C)(C)[N@@H+]1CCC[C@H](C)C1 ZINC000449098596 429330650 /nfs/dbraw/zinc/33/06/50/429330650.db2.gz KAQQUDJFOXLEJS-LSDHHAIUSA-N 2 0 311.514 2.637 20 0 DFADRP COc1cc(C)ccc1C[NH2+]CCCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000449103795 429333006 /nfs/dbraw/zinc/33/30/06/429333006.db2.gz RZWCYXDBZIRVPJ-IAGOWNOFSA-N 2 0 320.477 2.983 20 0 DFADRP C[NH2+][C@@H](CC(C)(C)C)C(=O)NC[C@H]([NH3+])c1ccc(C(C)C)cc1 ZINC000449107605 429334350 /nfs/dbraw/zinc/33/43/50/429334350.db2.gz MZXJAFZHKZCSHQ-IRXDYDNUSA-N 2 0 319.493 2.950 20 0 DFADRP NC(=O)[C@H]1CCC[N@H+](CCC[NH2+][C@@H]2CCCC23CCCCC3)C1 ZINC000449137608 429341406 /nfs/dbraw/zinc/34/14/06/429341406.db2.gz YOMPFISXATWKQJ-DLBZAZTESA-N 2 0 321.509 2.666 20 0 DFADRP COc1ccccc1-c1ncc(C[NH2+]CCCC[NH+](C)C)cn1 ZINC000490794698 429307481 /nfs/dbraw/zinc/30/74/81/429307481.db2.gz DKUGKFIEBCFZCF-UHFFFAOYSA-N 2 0 314.433 2.584 20 0 DFADRP C[N@@H+]1C[C@@H]2C[NH+](C[C@@H]3CCSC3)C[C@H]2[C@@H]1c1ccccc1 ZINC000365876836 429393609 /nfs/dbraw/zinc/39/36/09/429393609.db2.gz LKNVPDQHRWQLOH-HPBDAGMYSA-N 2 0 302.487 2.974 20 0 DFADRP CC(C)(C)NC(=O)C[NH+]1CCC(C[NH2+][C@H]2CCC(C)(C)C2)CC1 ZINC000449171405 429349500 /nfs/dbraw/zinc/34/95/00/429349500.db2.gz AAVNGIXDVRSNHM-INIZCTEOSA-N 2 0 323.525 2.781 20 0 DFADRP FC(F)(F)C1CC([NH2+]Cc2cc(C3CC[NH2+]CC3)no2)C1 ZINC000425892818 429349771 /nfs/dbraw/zinc/34/97/71/429349771.db2.gz AMPVHBSEUBLKPQ-UHFFFAOYSA-N 2 0 303.328 2.572 20 0 DFADRP CC(C)[C@@H]1OCCC[C@H]1C[NH2+]Cc1cc(C2CC[NH2+]CC2)no1 ZINC000425902157 429350687 /nfs/dbraw/zinc/35/06/87/429350687.db2.gz RUEJRNZOZKNWFY-YJBOKZPZSA-N 2 0 321.465 2.682 20 0 DFADRP CC(C)[NH+]1CCC(O)(C[NH2+]Cc2cccc3ccoc32)CC1 ZINC000449187363 429352368 /nfs/dbraw/zinc/35/23/68/429352368.db2.gz IVUWTXHDRVEZRP-UHFFFAOYSA-N 2 0 302.418 2.758 20 0 DFADRP CSCC1CCC([NH2+]CC2(O)CC[NH+](C(C)C)CC2)CC1 ZINC000449186068 429352950 /nfs/dbraw/zinc/35/29/50/429352950.db2.gz HDZHXOKOUISANL-UHFFFAOYSA-N 2 0 314.539 2.733 20 0 DFADRP Cc1cccc(CC[NH2+]C2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)c1 ZINC000449183253 429353259 /nfs/dbraw/zinc/35/32/59/429353259.db2.gz FHTLGSBPJQCBQA-UXHICEINSA-N 2 0 316.489 2.895 20 0 DFADRP CSCC1CCC([NH2+]CCN2CCC([NH+](C)C)CC2)CC1 ZINC000449226601 429361393 /nfs/dbraw/zinc/36/13/93/429361393.db2.gz ROLXADGVXGAJHI-UHFFFAOYSA-N 2 0 313.555 2.524 20 0 DFADRP C[C@H](Cc1ccoc1)[NH2+]Cc1ccccc1C[N@@H+]1CC[C@@H](O)C1 ZINC000449235068 429362738 /nfs/dbraw/zinc/36/27/38/429362738.db2.gz SOMCFDMGEVCUMN-DNVCBOLYSA-N 2 0 314.429 2.567 20 0 DFADRP COc1cc(C)ccc1C[NH2+]C(C)(C)CCN1CC[NH+](C)CC1 ZINC000449253553 429366998 /nfs/dbraw/zinc/36/69/98/429366998.db2.gz YWNKXXYAKWGLFB-UHFFFAOYSA-N 2 0 319.493 2.509 20 0 DFADRP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+]C[C@@H]2CC[C@@H](O)C2)CC1 ZINC000449276677 429373494 /nfs/dbraw/zinc/37/34/94/429373494.db2.gz COYCENYNVQKUJE-YVWKXTFCSA-N 2 0 316.489 2.833 20 0 DFADRP C[C@H]([NH2+][C@H]1CN(C2CC2)C[C@H]1C)[C@H]1OCCc2sccc21 ZINC000426308000 429381344 /nfs/dbraw/zinc/38/13/44/429381344.db2.gz UOKAFGAHCJXOLO-PZNPJNSTSA-N 2 0 306.475 2.823 20 0 DFADRP C[NH+](C)CC1(C(=O)N[C@@H]2CC[N@@H+](C3CCCC3)C2)CCCCC1 ZINC000426364520 429385259 /nfs/dbraw/zinc/38/52/59/429385259.db2.gz ZQADDWDNFLLZEK-MRXNPFEDSA-N 2 0 321.509 2.632 20 0 DFADRP C[NH+](C)[C@H](CNC(=O)C[C@@H]1CCCC[C@@H]1[NH3+])C1CCCCC1 ZINC000449321084 429388066 /nfs/dbraw/zinc/38/80/66/429388066.db2.gz RGMJDEBFGBHVIK-YESZJQIVSA-N 2 0 309.498 2.521 20 0 DFADRP C[C@@H]1CCC[N@H+](CCCCNC(=O)C[C@H]2CCCC[C@@H]2[NH3+])C1 ZINC000449326210 429388263 /nfs/dbraw/zinc/38/82/63/429388263.db2.gz TVMFUEPNFZBWTP-ZACQAIPSSA-N 2 0 309.498 2.522 20 0 DFADRP C[C@@H]1CC[C@@H](C)[C@@H]([NH2+]Cc2ccncc2OCC[NH+](C)C)C1 ZINC000449330062 429389983 /nfs/dbraw/zinc/38/99/83/429389983.db2.gz RLDYZLWWDRKEHN-INMHGKMJSA-N 2 0 305.466 2.936 20 0 DFADRP COc1cc2c(cc1C[NH2+]CC[C@@H]1CCC[N@H+](C)C1)O[C@@H](C)C2 ZINC000518924319 429439720 /nfs/dbraw/zinc/43/97/20/429439720.db2.gz CIYNBORRGXRONJ-GJZGRUSLSA-N 2 0 318.461 2.840 20 0 DFADRP CC[NH+](CC)CCC[C@@H](C)NC(=O)C1C[NH+](C2CCCCC2)C1 ZINC000457468693 429470511 /nfs/dbraw/zinc/47/05/11/429470511.db2.gz ZNTXGJJCWYFLQU-MRXNPFEDSA-N 2 0 323.525 2.878 20 0 DFADRP C[C@H]1CCCC[N@@H+]1CCCCNC(=O)C[C@@H]1CCC[NH2+]CC1 ZINC000427297194 429443329 /nfs/dbraw/zinc/44/33/29/429443329.db2.gz YLVMAHUOWJYXSL-DLBZAZTESA-N 2 0 309.498 2.537 20 0 DFADRP CCOC(=O)C1([C@@H](C)[NH2+]C[C@@H]2CC3CCC2CC3)CC[NH2+]CC1 ZINC000519156870 429450306 /nfs/dbraw/zinc/45/03/06/429450306.db2.gz WAVIPLMAGIONJO-VXLLPVPCSA-N 2 0 322.493 2.724 20 0 DFADRP CC[C@H](NC(=O)CN1CC[C@H]([NH3+])C[C@H]1C)c1ccc(Cl)cc1 ZINC000519540829 429462891 /nfs/dbraw/zinc/46/28/91/429462891.db2.gz CSGDVQFRYYSACW-KCXAZCMYSA-N 2 0 323.868 2.719 20 0 DFADRP CC[C@@H]([NH2+]C1CC[NH+](C2CCCCC2)CC1)[C@H](O)C(F)F ZINC000449425050 429414439 /nfs/dbraw/zinc/41/44/39/429414439.db2.gz QXFCAMKPWNDSEG-CABCVRRESA-N 2 0 304.425 2.778 20 0 DFADRP CC[N@@H+]1CC[C@H](N(C)C(=O)C2(C[NH+](C)C)CCCCC2)[C@H](C)C1 ZINC000426786994 429415168 /nfs/dbraw/zinc/41/51/68/429415168.db2.gz ZWSCMBDMXAZXEM-SJORKVTESA-N 2 0 323.525 2.687 20 0 DFADRP C[N@H+](CCCCNC(=O)[C@H]1CC[NH+](C2CCCCC2)C1)C1CC1 ZINC000457196873 429423376 /nfs/dbraw/zinc/42/33/76/429423376.db2.gz HWBQBQGONFILQO-INIZCTEOSA-N 2 0 321.509 2.632 20 0 DFADRP C[C@@H](O)c1cnc(CN2CC[C@H](CNc3ccccn3)C2)s1 ZINC000366137933 429424634 /nfs/dbraw/zinc/42/46/34/429424634.db2.gz QCFHOLQSEXCFAZ-CHWSQXEVSA-N 2 0 318.446 2.525 20 0 DFADRP CC1CCN(c2ccc(C[NH2+][C@@H]3CCC[C@H]([NH3+])C3)cn2)CC1 ZINC000519613723 429471945 /nfs/dbraw/zinc/47/19/45/429471945.db2.gz NDTGYGSAISFFPW-DLBZAZTESA-N 2 0 302.466 2.677 20 0 DFADRP Cc1cn2c(CN3CC[C@]4(CC[N@@H+](C)C4)C3)c(C)nc2s1 ZINC000366537170 429472935 /nfs/dbraw/zinc/47/29/35/429472935.db2.gz VTNVSSUMNFBJGG-INIZCTEOSA-N 2 0 304.463 2.540 20 0 DFADRP c1cn2c(n1)C[C@H]([NH2+]C1CC[NH+](C3CCCCC3)CC1)CC2 ZINC000427873529 429475861 /nfs/dbraw/zinc/47/58/61/429475861.db2.gz ZOTZIBGSZXJSFN-MRXNPFEDSA-N 2 0 302.466 2.585 20 0 DFADRP CC(C)[NH+]1CCC(C(=O)Nc2ccccc2CC[NH+](C)C)CC1 ZINC000427894302 429477288 /nfs/dbraw/zinc/47/72/88/429477288.db2.gz LPPONPXXZPGWRR-UHFFFAOYSA-N 2 0 317.477 2.850 20 0 DFADRP Cc1ccc(NC(=O)[C@@H](C)N2CC[C@]3(CC[N@H+](C)C3)C2)c(C)c1 ZINC000366571607 429480080 /nfs/dbraw/zinc/48/00/80/429480080.db2.gz XZRVFSNTSBRVEP-APWZRJJASA-N 2 0 315.461 2.658 20 0 DFADRP CSCC[NH+](C)Cc1cncc(C[N@@H+](C)CCSC)c1 ZINC000519744176 429482906 /nfs/dbraw/zinc/48/29/06/429482906.db2.gz KNWYLCYQSUBBTA-UHFFFAOYSA-N 2 0 313.536 2.671 20 0 DFADRP COC(=O)CC[C@H]([NH2+][C@@H](C)[C@H]1CCC[NH2+]C1)c1ccccc1 ZINC000519767572 429486949 /nfs/dbraw/zinc/48/69/49/429486949.db2.gz XUARHYSTLLOEDK-XIRDDKMYSA-N 2 0 304.434 2.659 20 0 DFADRP OC[C@@H]1CCC[C@@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000449709968 429487697 /nfs/dbraw/zinc/48/76/97/429487697.db2.gz KZYXJLPWXGJZEW-BGVWBIDGSA-N 2 0 314.473 2.933 20 0 DFADRP Cc1ccc(C[NH+]2CCCC2)cc1NC(=O)/C=C/C[NH+](C)C ZINC000492229953 429491164 /nfs/dbraw/zinc/49/11/64/429491164.db2.gz AAHVUJLRRPNSRB-VOTSOKGWSA-N 2 0 301.434 2.647 20 0 DFADRP COCC1(C[NH2+]Cc2cn(-c3cc[nH+]cc3)nc2C)CCCC1 ZINC000449741324 429493304 /nfs/dbraw/zinc/49/33/04/429493304.db2.gz JSDJNEUXJFINHY-UHFFFAOYSA-N 2 0 314.433 2.872 20 0 DFADRP COC[C@H]([NH2+]C1CC[NH+](C2CCCCC2)CC1)[C@@H]1CCCO1 ZINC000366728055 429501748 /nfs/dbraw/zinc/50/17/48/429501748.db2.gz GWUWANAGYBCREC-ROUUACIJSA-N 2 0 310.482 2.567 20 0 DFADRP CC(C)CC[C@@H]([NH2+]CCCN1CC[NH+](C)CC1)c1ccoc1 ZINC000428223531 429501871 /nfs/dbraw/zinc/50/18/71/429501871.db2.gz BITQHDIPTOZZJC-GOSISDBHSA-N 2 0 307.482 2.984 20 0 DFADRP CC(C)N(C(=O)[C@@H](C)N1CCC([N@@H+]2CCC[C@@H]2C)CC1)C(C)C ZINC000366733020 429503982 /nfs/dbraw/zinc/50/39/82/429503982.db2.gz QPSFDDVOYONNRK-DLBZAZTESA-N 2 0 323.525 2.969 20 0 DFADRP C[C@H]1C[C@@H](NCCC[NH+]2CCC2)CC[N@@H+]1Cc1ccccc1 ZINC000520428175 429515364 /nfs/dbraw/zinc/51/53/64/429515364.db2.gz MYVCSRDKUCBEDB-HKUYNNGSSA-N 3 0 301.478 2.725 20 0 DFADRP O=C(N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)[C@H]1CCCC[NH+]1C1CCCC1 ZINC000449810444 429516048 /nfs/dbraw/zinc/51/60/48/429516048.db2.gz LXVRZHUNBBCNHQ-KBAYOESNSA-N 2 0 319.493 2.527 20 0 DFADRP CCC[N@@H+]1CC[C@H](C[NH2+][C@@H]2CCC[C@@H](c3ccnn3C)C2)C1 ZINC000366794393 429516819 /nfs/dbraw/zinc/51/68/19/429516819.db2.gz ZPWSKGCRAWQASC-BRWVUGGUSA-N 2 0 304.482 2.768 20 0 DFADRP CCC(CC)(C[NH2+]Cc1cn(-c2cc[nH+]cc2)nc1C)OC ZINC000492489346 429549439 /nfs/dbraw/zinc/54/94/39/429549439.db2.gz XBMZEMWQNFFRJC-UHFFFAOYSA-N 2 0 302.422 2.871 20 0 DFADRP CC(C)(C)c1ncc(C[NH2+]Cc2ccc(-n3ccnc3)nc2)cn1 ZINC000367047075 429566249 /nfs/dbraw/zinc/56/62/49/429566249.db2.gz DKAIRALSTUOFPT-UHFFFAOYSA-N 2 0 322.416 2.645 20 0 DFADRP CCOC1CC(C[NH+]2CCC3(C[C@H]3C[N@H+](C)C3CC3)CC2)C1 ZINC000367133620 429584501 /nfs/dbraw/zinc/58/45/01/429584501.db2.gz OHQJBAQMMIDQNR-PQUAAJSLSA-N 2 0 306.494 2.998 20 0 DFADRP C[NH+](C)CC1CCN(C(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)CC1 ZINC000449930278 429538735 /nfs/dbraw/zinc/53/87/35/429538735.db2.gz LKWNOVKFEXLPGB-GOSISDBHSA-N 2 0 321.509 2.584 20 0 DFADRP Cc1cc(NC[C@@H]2CSCC[N@@H+]2Cc2ccccc2)cc[nH+]1 ZINC000428665639 429543122 /nfs/dbraw/zinc/54/31/22/429543122.db2.gz FCXUSBWJYSWGRC-GOSISDBHSA-N 2 0 313.470 2.841 20 0 DFADRP C[NH+]1CCC2(CCC[N@H+](Cc3ccc4c(c3)OCCO4)C2)CC1 ZINC000366949550 429544580 /nfs/dbraw/zinc/54/45/80/429544580.db2.gz BZBMEPBWEJCHAU-UHFFFAOYSA-N 2 0 316.445 2.766 20 0 DFADRP C[N@@H+](Cc1ccn(C2CCCC2)n1)C[C@@H]1CCn2ccnc2C1 ZINC000366950718 429545540 /nfs/dbraw/zinc/54/55/40/429545540.db2.gz GNKTVWODFDBSEZ-OAHLLOKOSA-N 2 0 313.449 2.889 20 0 DFADRP C[N@H+](C[C@H]1CC12CC[NH+](C[C@H](O)c1ccccc1)CC2)C1CC1 ZINC000367308930 429616523 /nfs/dbraw/zinc/61/65/23/429616523.db2.gz GFPZGKUMRMLOGJ-MJGOQNOKSA-N 2 0 314.473 2.916 20 0 DFADRP Cc1ccccc1-n1cc(CN2CCC[C@@H](n3ccnc3)C2)nn1 ZINC000367309424 429617661 /nfs/dbraw/zinc/61/76/61/429617661.db2.gz WKUUREJKOZVFPW-QGZVFWFLSA-N 2 0 322.416 2.609 20 0 DFADRP C[N@H+](CCN1CCC([NH+]2CCCC2)CC1)Cc1ccccc1 ZINC000429731489 429629031 /nfs/dbraw/zinc/62/90/31/429629031.db2.gz RGPOKQQILITTAV-UHFFFAOYSA-N 2 0 301.478 2.679 20 0 DFADRP CC[NH+](CC)CCO[C@H]1CC[N@H+](C[C@@H]2CCC(F)(F)C2)C1 ZINC000450454976 429631182 /nfs/dbraw/zinc/63/11/82/429631182.db2.gz PMTJNSMGHUNWSG-CABCVRRESA-N 2 0 304.425 2.855 20 0 DFADRP CC(=O)Oc1ccc(CN(C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc1 ZINC000367211492 429597940 /nfs/dbraw/zinc/59/79/40/429597940.db2.gz LEBLDXQHWNFWBA-SJPCQFCGSA-N 2 0 302.418 2.669 20 0 DFADRP CC[N@H+](Cc1ccc(C(=O)N[C@@H](C[NH3+])CC(C)C)cc1)C1CC1 ZINC000429318581 429599222 /nfs/dbraw/zinc/59/92/22/429599222.db2.gz RNCSPCIGDMXQHK-QGZVFWFLSA-N 2 0 317.477 2.774 20 0 DFADRP C[C@@H]1CCC[C@@H]([NH+]2CCC([NH2+][C@@H](CO)CC(F)F)CC2)C1 ZINC000429461813 429609289 /nfs/dbraw/zinc/60/92/89/429609289.db2.gz MWKNIXHWXJEKSE-BPLDGKMQSA-N 2 0 304.425 2.635 20 0 DFADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@]2(CO)C[C@H]2c2ccc(F)cc2)[C@@H](C)C1 ZINC000429460198 429609572 /nfs/dbraw/zinc/60/95/72/429609572.db2.gz XENYQWQLLOQGNC-QZHFEQFPSA-N 2 0 320.452 2.612 20 0 DFADRP C[C@@H]([NH3+])c1ccc(CNC(=O)c2sccc2C[NH+](C)C)cc1 ZINC000429469855 429611363 /nfs/dbraw/zinc/61/13/63/429611363.db2.gz GNPYTBZPNZSJJQ-GFCCVEGCSA-N 2 0 317.458 2.759 20 0 DFADRP CC[N@H+](Cc1ccc(C(=O)N(C)CC(C)(C)C[NH3+])cc1)C1CC1 ZINC000429529954 429612150 /nfs/dbraw/zinc/61/21/50/429612150.db2.gz ODCCDINPULTTEX-UHFFFAOYSA-N 2 0 317.477 2.728 20 0 DFADRP C[C@@H](O)C[N@H+](C)C1CC[NH+](C[C@@H]2CCCCC2(F)F)CC1 ZINC000450373327 429612283 /nfs/dbraw/zinc/61/22/83/429612283.db2.gz TXIQXSJZDGWWCK-KGLIPLIRSA-N 2 0 304.425 2.589 20 0 DFADRP CCC[NH+]1CCC(N(C)Cc2cc(-c3cccnc3)n[nH]2)CC1 ZINC000367472454 429656471 /nfs/dbraw/zinc/65/64/71/429656471.db2.gz MCOMLLGLVZBSDZ-UHFFFAOYSA-N 2 0 313.449 2.778 20 0 DFADRP C[C@H](C(=O)Nc1cccc2c1C[NH2+]CC2)[NH+]1CCCCCC1 ZINC000367508020 429661792 /nfs/dbraw/zinc/66/17/92/429661792.db2.gz QUIZWMZIDPNTRB-CQSZACIVSA-N 2 0 301.434 2.535 20 0 DFADRP C[C@H](c1csnn1)N(C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000450648387 429670639 /nfs/dbraw/zinc/67/06/39/429670639.db2.gz YIFXQFJBVLUCFQ-CYBMUJFWSA-N 2 0 317.462 2.843 20 0 DFADRP CC1(C)NC(=O)CC[C@@H]1[NH2+]C1CC[NH+](CC2CCCCC2)CC1 ZINC000367243593 276152929 /nfs/dbraw/zinc/15/29/29/276152929.db2.gz ASQVKBGNRYPOKV-KRWDZBQOSA-N 2 0 321.509 2.678 20 0 DFADRP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)[NH2+]CCCF)CC1 ZINC000181642087 276202751 /nfs/dbraw/zinc/20/27/51/276202751.db2.gz WPXFXBYDYSTVET-CQSZACIVSA-N 2 0 311.420 2.978 20 0 DFADRP C[C@H](NCc1cn(CC2CC2)nn1)c1cccc(-n2ccnc2)c1 ZINC000450714198 429682749 /nfs/dbraw/zinc/68/27/49/429682749.db2.gz UYVBMSOODDUZKN-AWEZNQCLSA-N 2 0 322.416 2.725 20 0 DFADRP C[N@@H+]1CC[C@H]([NH2+]Cc2ccc(-n3cccn3)cc2)[C@@H]2CCC[C@@H]21 ZINC000367638983 429690918 /nfs/dbraw/zinc/69/09/18/429690918.db2.gz SLIVCHSJKIQJJL-FHWLQOOXSA-N 2 0 310.445 2.835 20 0 DFADRP C[C@@H]1CCC[C@H](C[N@@H+]2CCC[C@H](CN3CC[NH+](C)CC3)C2)C1 ZINC000367624900 429687247 /nfs/dbraw/zinc/68/72/47/429687247.db2.gz YNACGEAKGRYPEG-CEXWTWQISA-N 2 0 307.526 2.772 20 0 DFADRP CC(C)[C@](C)(C[NH3+])[NH2+]CCOc1ccc(OC(F)(F)F)cc1 ZINC000430594741 429698507 /nfs/dbraw/zinc/69/85/07/429698507.db2.gz LKUSSRQQEPPMLG-AWEZNQCLSA-N 2 0 320.355 2.927 20 0 DFADRP CC[NH+](CC)C[C@H]1CCCC[C@H]1[NH2+]CCn1nc(C)cc1C ZINC000450763121 429694278 /nfs/dbraw/zinc/69/42/78/429694278.db2.gz SZJKMPOXSIBNMR-QZTJIDSGSA-N 2 0 306.498 2.990 20 0 DFADRP CCO[C@@H]1COCC[C@@H]1[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000354972003 276339937 /nfs/dbraw/zinc/33/99/37/276339937.db2.gz TYYXSHCYWAWCOW-ZWKOTPCHSA-N 2 0 310.482 2.567 20 0 DFADRP CC[NH2+]CC1CC[NH+]([C@@H](C)C(=O)Nc2ccc(CC)cc2)CC1 ZINC000430585619 429696474 /nfs/dbraw/zinc/69/64/74/429696474.db2.gz SPLIAESLXWUCQQ-HNNXBMFYSA-N 2 0 317.477 2.898 20 0 DFADRP C[C@@H]1CCC[C@@H](C[N@H+](C)[C@@H]2CCN(C3CC[NH+](C)CC3)C2)C1 ZINC000367673252 429697779 /nfs/dbraw/zinc/69/77/79/429697779.db2.gz RCZJALWQPSWVSF-ZHALLVOQSA-N 2 0 307.526 2.913 20 0 DFADRP CCOc1ccccc1[C@H](C)[NH2+]CCCN1CCC[N@H+](C)CC1 ZINC000128584126 276383801 /nfs/dbraw/zinc/38/38/01/276383801.db2.gz ZGLQBWVILNZBAZ-KRWDZBQOSA-N 2 0 319.493 2.764 20 0 DFADRP C[N@H+](Cc1ccc(OCc2cccnc2)cc1)C1CC[NH2+]CC1 ZINC000430602558 429700519 /nfs/dbraw/zinc/70/05/19/429700519.db2.gz LSKKYYRPRFSCDY-UHFFFAOYSA-N 2 0 311.429 2.844 20 0 DFADRP COC[C@H](C)C[NH2+]C[C@@H](C(C)C)N1CCc2ccccc2C1 ZINC000526123332 429703407 /nfs/dbraw/zinc/70/34/07/429703407.db2.gz LHVMAJIKCJHZGQ-APWZRJJASA-N 2 0 304.478 2.941 20 0 DFADRP CC(C)C[C@@H](C)[N@H+](C)C[C@@H]1C[C@H](F)CN1Cc1nccn1C ZINC000450812532 429704794 /nfs/dbraw/zinc/70/47/94/429704794.db2.gz NLVQSCBQQAUVME-PMPSAXMXSA-N 2 0 310.461 2.699 20 0 DFADRP C[C@H]1CCCC[C@H]1[NH+]1CCC([NH2+]CCC2(O)CCOCC2)CC1 ZINC000367711028 429705495 /nfs/dbraw/zinc/70/54/95/429705495.db2.gz ZZBQNQZERPTODL-FUHWJXTLSA-N 2 0 324.509 2.551 20 0 DFADRP C[N@H+](C[C@H](O)c1ccc(Cl)cc1)C[C@@H]1CCn2ccnc2C1 ZINC000367721460 429706959 /nfs/dbraw/zinc/70/69/59/429706959.db2.gz OHYXSDMXZWPFPW-CJNGLKHVSA-N 2 0 319.836 2.764 20 0 DFADRP CCOC(=O)CC(C)(C)CC[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000367738735 429709103 /nfs/dbraw/zinc/70/91/03/429709103.db2.gz UOZGAPKLPUJTBU-CVEARBPZSA-N 2 0 310.482 2.772 20 0 DFADRP C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)[C@@H]1CCCCCC[C@@H]1[NH3+] ZINC000430889153 429721238 /nfs/dbraw/zinc/72/12/38/429721238.db2.gz LWPMBNFJPDPWQC-TWMKSMIVSA-N 2 0 309.498 2.663 20 0 DFADRP C[C@@H]([NH3+])C1CC[NH+]([C@@H](C)C(=O)Nc2ccc(Cl)cc2)CC1 ZINC000430938358 429727750 /nfs/dbraw/zinc/72/77/50/429727750.db2.gz BMGOPVYFOQGCNK-NEPJUHHUSA-N 2 0 309.841 2.726 20 0 DFADRP C[C@H]1C[N@H+](CCC(=O)Nc2cccc3ccccc32)CC[C@@H]1[NH3+] ZINC000430964949 429731657 /nfs/dbraw/zinc/73/16/57/429731657.db2.gz JUTKUYVGHXVAJG-YOEHRIQHSA-N 2 0 311.429 2.838 20 0 DFADRP Clc1cc(C[NH+]2CCC3(CC[NH2+]C3)CC2)cc2c1OCCO2 ZINC000430968828 429731861 /nfs/dbraw/zinc/73/18/61/429731861.db2.gz XOCWJADJLSBGOV-UHFFFAOYSA-N 2 0 322.836 2.687 20 0 DFADRP Cc1cccc(-c2noc(C[NH+]3CCC4(CC[NH2+]C4)CC3)n2)c1 ZINC000431034728 429737566 /nfs/dbraw/zinc/73/75/66/429737566.db2.gz ZHVIYIWRBPUZIM-UHFFFAOYSA-N 2 0 312.417 2.621 20 0 DFADRP COc1cccc2c1ncc(C)c2NCCN1CCO[C@H](C)C1 ZINC000527288490 429739945 /nfs/dbraw/zinc/73/99/45/429739945.db2.gz RDGSQUYQGXSLBF-CQSZACIVSA-N 2 0 315.417 2.684 20 0 DFADRP CCC[N@H+](CCc1nc(-c2ccccc2)no1)C1CC[NH2+]CC1 ZINC000431085490 429741618 /nfs/dbraw/zinc/74/16/18/429741618.db2.gz RAZNKGWNZNYSNF-UHFFFAOYSA-N 2 0 314.433 2.743 20 0 DFADRP C[C@@H](c1ccccc1)[C@@H](O)C[N@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000450984591 429743264 /nfs/dbraw/zinc/74/32/64/429743264.db2.gz WWXJMWSKFXTYLC-NFEZDNKESA-N 2 0 302.462 2.708 20 0 DFADRP OC1(C[NH2+][C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)CCC1 ZINC000367997818 429761835 /nfs/dbraw/zinc/76/18/35/429761835.db2.gz GLLMHZUEEBKOLF-GUDVDZBRSA-N 2 0 314.473 2.792 20 0 DFADRP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCN(C3CC[NH+](C)CC3)C2)c2ccccc21 ZINC000368005423 429765380 /nfs/dbraw/zinc/76/53/80/429765380.db2.gz IPEMOPGYQGWVNO-JXXFODFXSA-N 2 0 313.489 2.993 20 0 DFADRP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@@H+]2[C@H]1CCc2ccccc21 ZINC000368017770 429766354 /nfs/dbraw/zinc/76/63/54/429766354.db2.gz IDEBVVOVFCOFQH-QXCFHYIPSA-N 2 0 300.446 2.857 20 0 DFADRP C[C@]1(F)CCC[NH+](CCOCC[N@H+]2CCC[C@](C)(F)C2)C1 ZINC000451116681 429771501 /nfs/dbraw/zinc/77/15/01/429771501.db2.gz SINCBJKSLDXREM-HOTGVXAUSA-N 2 0 304.425 2.651 20 0 DFADRP C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)CC[C@H]2CCCC[N@@H+]2C)C1 ZINC000431725964 429778664 /nfs/dbraw/zinc/77/86/64/429778664.db2.gz OUTMNCFPPTXFQH-KZNAEPCWSA-N 2 0 323.525 2.735 20 0 DFADRP C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)CC[C@@H]1CCCC[NH+]1C ZINC000431733882 429779302 /nfs/dbraw/zinc/77/93/02/429779302.db2.gz ANXGYIAZRIMCIV-MHORFTMASA-N 2 0 323.525 2.734 20 0 DFADRP C[C@H]1CCC[N@H+](CCCCNC(=O)CC[C@@H]2CCCC[NH+]2C)C1 ZINC000431746888 429781551 /nfs/dbraw/zinc/78/15/51/429781551.db2.gz XEDBDYDUJJTULL-ROUUACIJSA-N 2 0 323.525 2.879 20 0 DFADRP C[NH+](C)CCCC1CCN(C(=O)CC[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000431823393 429786141 /nfs/dbraw/zinc/78/61/41/429786141.db2.gz QXNIKJICDKOUOD-SFHVURJKSA-N 2 0 323.525 2.831 20 0 DFADRP C[C@@H]([NH2+]CC1(O)CC[NH+](Cc2ccccc2)CC1)[C@H]1CC12CC2 ZINC000527907422 429817758 /nfs/dbraw/zinc/81/77/58/429817758.db2.gz HYIXBQOPTOCLHO-SJLPKXTDSA-N 2 0 314.473 2.792 20 0 DFADRP CC(C)[NH+]1CCN(CCC[N@@H+]2C[C@H]3[C@@H]4C=C[C@@H](C4)[C@]3(C)C2)CC1 ZINC000451372835 429818972 /nfs/dbraw/zinc/81/89/72/429818972.db2.gz QYQBRUPVRLOCJR-FYQPLNBISA-N 2 0 317.521 2.547 20 0 DFADRP CCO[C@@H]1C[C@H]([NH2+]CCC[N@@H+]2CCCO[C@H](C)C2)C12CCCC2 ZINC000432413450 429821588 /nfs/dbraw/zinc/82/15/88/429821588.db2.gz MRZJJSKJIXZKPZ-FGTMMUONSA-N 2 0 324.509 2.815 20 0 DFADRP C[C@H]([NH2+]CCC[N@@H+]1CCCO[C@H](C)C1)c1ccccc1N(C)C ZINC000432410526 429821764 /nfs/dbraw/zinc/82/17/64/429821764.db2.gz PRFFSKBXGLUMPJ-SJORKVTESA-N 2 0 319.493 2.904 20 0 DFADRP CC1CC[NH+](CCN2CC[N@H+](Cc3ccccc3)C[C@@H]2C)CC1 ZINC000493791620 429830324 /nfs/dbraw/zinc/83/03/24/429830324.db2.gz IBRYISKEMCMUEJ-IBGZPJMESA-N 2 0 315.505 2.925 20 0 DFADRP C[NH+](C)[C@H]1CCCN(Cc2cnn(-c3ccc(F)cc3)c2)CC1 ZINC000432789144 429840435 /nfs/dbraw/zinc/84/04/35/429840435.db2.gz PQWPORXHBALKRY-KRWDZBQOSA-N 2 0 316.424 2.928 20 0 DFADRP CC(=O)N1CCCN(C[C@@H]2CCC[N@@H+]([C@@H](C)CC(C)C)C2)CC1 ZINC000451529150 429844631 /nfs/dbraw/zinc/84/46/31/429844631.db2.gz MJFKJSFCZHCMET-HKUYNNGSSA-N 2 0 323.525 2.687 20 0 DFADRP CC[C@H]([NH2+]CCCN1CC[NH+](CC)CC1)c1ccc(OC)cc1 ZINC000154264670 276584703 /nfs/dbraw/zinc/58/47/03/276584703.db2.gz GIARXAXWOBWRDS-IBGZPJMESA-N 2 0 319.493 2.764 20 0 DFADRP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@@H+]2CCCCC1CCOCC1 ZINC000368530472 429862723 /nfs/dbraw/zinc/86/27/23/429862723.db2.gz MRWZXLUFPBHUTA-QYZOEREBSA-N 2 0 324.509 2.767 20 0 DFADRP COCC(C)(C)C[NH2+]C[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000494338728 429867590 /nfs/dbraw/zinc/86/75/90/429867590.db2.gz LCYZLJOKVYIHDF-SFHVURJKSA-N 2 0 304.478 2.813 20 0 DFADRP COc1ccc([C@H]([NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)C2CC2)cn1 ZINC000527844513 429808767 /nfs/dbraw/zinc/80/87/67/429808767.db2.gz ZOXQHPUOTJCUDA-LZLYRXPVSA-N 2 0 301.434 2.758 20 0 DFADRP C[N@@H+]1CC[C@H]([NH2+]CCCc2nc3ccccc3[nH]2)[C@@H]2CCC[C@H]21 ZINC000368607120 429877373 /nfs/dbraw/zinc/87/73/73/429877373.db2.gz GVIRAFJLEKNDKG-RLFYNMQTSA-N 2 0 312.461 2.958 20 0 DFADRP C[C@H]1CC[C@H](C)[NH+]1CCN1CC[NH+](CC2CC(C)(C)C2)CC1 ZINC000528365823 429880135 /nfs/dbraw/zinc/88/01/35/429880135.db2.gz MQWUPJFIYYMGPW-IRXDYDNUSA-N 2 0 307.526 2.913 20 0 DFADRP O=c1cc(C[NH+]2CCN(c3cc[nH+]c4ccccc43)CC2)cc[nH]1 ZINC000639640194 429928317 /nfs/dbraw/zinc/92/83/17/429928317.db2.gz BEOUPFZKMQHCSB-UHFFFAOYSA-N 2 0 320.396 2.658 20 0 DFADRP CC[N@H+](Cc1ccc(C(=O)N[C@H]2CCC[NH2+]CC2)cc1)C(C)C ZINC000368718247 429890059 /nfs/dbraw/zinc/89/00/59/429890059.db2.gz GEFWZACGRLRBOA-SFHVURJKSA-N 2 0 317.477 2.789 20 0 DFADRP CO[C@@H](Cc1ccc(F)cc1)C[N@@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000528478080 429892252 /nfs/dbraw/zinc/89/22/52/429892252.db2.gz SOWLFRGYLSSENJ-MSOLQXFVSA-N 2 0 308.441 2.799 20 0 DFADRP C[C@H]([NH2+]C[C@H]1CC[N@H+](Cc2ccccc2)C1)C1CCOCC1 ZINC000369140649 429915741 /nfs/dbraw/zinc/91/57/41/429915741.db2.gz UNTRUKVRQDGYGJ-FUHWJXTLSA-N 2 0 302.462 2.913 20 0 DFADRP COc1ccc(C[N@@H+]2CCCC3(CC[NH+](C)CC3)C2)cc1O ZINC000369204044 429919408 /nfs/dbraw/zinc/91/94/08/429919408.db2.gz NKFDRSOFEABHGT-UHFFFAOYSA-N 2 0 304.434 2.709 20 0 DFADRP Cc1cc(C[NH2+]C2CCC([NH+]3CCNCC3)CC2)c(C)s1 ZINC000556951967 429924005 /nfs/dbraw/zinc/92/40/05/429924005.db2.gz JPIIPQJLAQZCAE-UHFFFAOYSA-N 2 0 307.507 2.671 20 0 DFADRP CCc1ccccc1CC[N@@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@H]21 ZINC000369348045 429927960 /nfs/dbraw/zinc/92/79/60/429927960.db2.gz GUNISXKJLTXSQQ-XUVXKRRUSA-N 2 0 316.489 2.975 20 0 DFADRP C[NH+]1CCC2(CC[N@H+](Cc3cn4cc(Cl)ccc4n3)C2)CC1 ZINC000639762425 429972565 /nfs/dbraw/zinc/97/25/65/429972565.db2.gz LEEZVHOVJWWZCH-UHFFFAOYSA-N 2 0 318.852 2.905 20 0 DFADRP C[C@H]([NH2+][C@@H]1CCCC[C@@H]1C[NH3+])c1cccc(N2CCOCC2)c1 ZINC000573711342 429974620 /nfs/dbraw/zinc/97/46/20/429974620.db2.gz HVRMOZSUJZJBJM-KVSKMBFKSA-N 2 0 317.477 2.691 20 0 DFADRP C[N@@H+]1CCC[C@]2(CC[NH+](Cc3cccc4c3CCOC4)C2)C1 ZINC000639657187 429935482 /nfs/dbraw/zinc/93/54/82/429935482.db2.gz WJONYQLJCIAZTI-IBGZPJMESA-N 2 0 300.446 2.677 20 0 DFADRP CC[NH+]1CCN(CC(C)(C)[NH2+]Cc2c(C)cc(C)nc2C)CC1 ZINC000639667665 429939626 /nfs/dbraw/zinc/93/96/26/429939626.db2.gz IMQNCCAVSHZUNU-UHFFFAOYSA-N 2 0 318.509 2.513 20 0 DFADRP CCO[C@@H]1C[C@H]([NH2+][C@@H]2CCc3nccn3C2)C12CCCCC2 ZINC000369433030 429943061 /nfs/dbraw/zinc/94/30/61/429943061.db2.gz CCWCQPPWCWVRCQ-OWCLPIDISA-N 2 0 303.450 2.915 20 0 DFADRP CC1CC[NH+](CC2CCN(CC[NH+]3CCCCC3)CC2)CC1 ZINC000369480486 429953471 /nfs/dbraw/zinc/95/34/71/429953471.db2.gz OUOZBYCMIKCSSF-UHFFFAOYSA-N 2 0 307.526 2.916 20 0 DFADRP C[N@@H+]1CCC[C@H]2CN(Cc3ccc(-c4cc[nH]n4)o3)CC[C@H]21 ZINC000369484479 429954304 /nfs/dbraw/zinc/95/43/04/429954304.db2.gz NAOQWUYHIHUADR-XJKSGUPXSA-N 2 0 300.406 2.586 20 0 DFADRP Clc1cc(C[N@@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)cc2c1OCO2 ZINC000574277515 430027923 /nfs/dbraw/zinc/02/79/23/430027923.db2.gz KZJPBVCWFIVVQT-ZIAGYGMSSA-N 2 0 322.836 2.890 20 0 DFADRP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+]CCc1ccc(C)cn1 ZINC000560362220 430035230 /nfs/dbraw/zinc/03/52/30/430035230.db2.gz SYYSZQXUZIICLF-UHFFFAOYSA-N 2 0 307.401 2.611 20 0 DFADRP CCC1([NH+]2CCCC2)CCN([C@H](C)C(=O)NC2CCCC2)CC1 ZINC000639988497 430045804 /nfs/dbraw/zinc/04/58/04/430045804.db2.gz UCAXKEJBVOBJKG-MRXNPFEDSA-N 2 0 321.509 2.774 20 0 DFADRP CCC1([NH+]2CCCC2)CCN(CCCc2nc(C)no2)CC1 ZINC000639986512 430046344 /nfs/dbraw/zinc/04/63/44/430046344.db2.gz NXZWMIHCYFDGDZ-UHFFFAOYSA-N 2 0 306.454 2.651 20 0 DFADRP CCC1([NH+]2CCCC2)CCN(CCOCC(F)(F)F)CC1 ZINC000639987867 430046519 /nfs/dbraw/zinc/04/65/19/430046519.db2.gz JBTQHCQIQYDTDT-UHFFFAOYSA-N 2 0 308.388 2.906 20 0 DFADRP CC[C@H](C)NC(=O)[C@@H](C)N1CCC(CC)([NH+]2CCCC2)CC1 ZINC000639988025 430046529 /nfs/dbraw/zinc/04/65/29/430046529.db2.gz MHSDRNITXQOWBP-JKSUJKDBSA-N 2 0 309.498 2.630 20 0 DFADRP C[C@@H](O)[C@H](C)[NH2+]Cc1ccccc1C[N@H+](C)Cc1ccco1 ZINC000573835865 429987826 /nfs/dbraw/zinc/98/78/26/429987826.db2.gz YPDIQYFIASDNRT-LSDHHAIUSA-N 2 0 302.418 2.771 20 0 DFADRP CC[N@H+](C)C[C@@H](O)CN1CCC[C@H]1Cc1ccccc1Cl ZINC000574023305 430003141 /nfs/dbraw/zinc/00/31/41/430003141.db2.gz AEIURVUHQMBERR-JKSUJKDBSA-N 2 0 310.869 2.660 20 0 DFADRP CN1CCC[C@H]1C[NH2+][C@@H]1CCO[C@H]1c1ccc(Cl)c(F)c1 ZINC000639907258 430017408 /nfs/dbraw/zinc/01/74/08/430017408.db2.gz OLSQKZSIIMXEKP-MAZHCROVSA-N 2 0 312.816 2.993 20 0 DFADRP C[C@H]([NH2+][C@H](CN1CC[NH+](C)CC1)c1ccccc1)[C@H]1CC1(C)C ZINC000574254763 430024666 /nfs/dbraw/zinc/02/46/66/430024666.db2.gz MSEREDBHKOLWKY-QXAKKESOSA-N 2 0 315.505 2.999 20 0 DFADRP CC1(C)C[NH2+]CC[C@H]([NH2+]Cc2ccc(N3CCCC3)nc2)C1 ZINC000634732582 430092828 /nfs/dbraw/zinc/09/28/28/430092828.db2.gz JPHWNQUFJSHBQR-INIZCTEOSA-N 2 0 302.466 2.550 20 0 DFADRP Cc1ccc(-c2n[nH]cc2C[NH2+][C@@H]2CC[NH2+]CC(C)(C)C2)o1 ZINC000634732774 430094431 /nfs/dbraw/zinc/09/44/31/430094431.db2.gz OOAYUNYTLCJCSI-CQSZACIVSA-N 2 0 302.422 2.846 20 0 DFADRP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCC[N@@H+]2Cc2ncccc2Cl)C1 ZINC000530221544 430106410 /nfs/dbraw/zinc/10/64/10/430106410.db2.gz GFEGWVNPIPSIOX-WQVCFCJDSA-N 2 0 309.841 2.596 20 0 DFADRP COc1ccc(C[C@@H](C)C[NH2+][C@@H]2CC[NH2+]C23CCC3)cc1F ZINC000530245117 430107117 /nfs/dbraw/zinc/10/71/17/430107117.db2.gz UMZNCTGMTUEZLF-CXAGYDPISA-N 2 0 306.425 2.887 20 0 DFADRP COc1cccc([C@H](C)[NH+]2CCC(CO[C@@H]3CC[NH2+]C3)CC2)c1 ZINC000530243006 430107335 /nfs/dbraw/zinc/10/73/35/430107335.db2.gz WFHDIWSTLWHLGX-HNAYVOBHSA-N 2 0 318.461 2.847 20 0 DFADRP Fc1cccc(C[NH+]2CCC(CO[C@H]3CC[NH2+]C3)CC2)c1F ZINC000530239160 430107351 /nfs/dbraw/zinc/10/73/51/430107351.db2.gz DORQICWIYABHBH-HNNXBMFYSA-N 2 0 310.388 2.555 20 0 DFADRP CCCN1CCC[C@H]1C[NH2+][C@@H]1CCC[C@@H](c2ccnn2C)C1 ZINC000560583455 430056791 /nfs/dbraw/zinc/05/67/91/430056791.db2.gz YHWMLOPSDHAVDZ-ZACQAIPSSA-N 2 0 304.482 2.910 20 0 DFADRP C[C@@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)CCCC[NH+](C)C)C1 ZINC000560598037 430057241 /nfs/dbraw/zinc/05/72/41/430057241.db2.gz QCTNXSTYURCRFY-WMZOPIPTSA-N 2 0 317.477 2.670 20 0 DFADRP Cc1cnccc1CC[N@@H+]1CCc2nnn(C3CC(C)C3)c2C1 ZINC000640039222 430068076 /nfs/dbraw/zinc/06/80/76/430068076.db2.gz RIELBFLIBPQBMZ-UHFFFAOYSA-N 2 0 311.433 2.553 20 0 DFADRP c1ccc(-c2noc(CN3CCCC[C@H]3[C@@H]3CC[NH2+]C3)n2)cc1 ZINC000561278937 430084238 /nfs/dbraw/zinc/08/42/38/430084238.db2.gz UZTQCYFEFXLEIU-CVEARBPZSA-N 2 0 312.417 2.701 20 0 DFADRP CC[N@H+](C)C[C@H](O)C[NH+]1CCC(CCc2ccccc2)CC1 ZINC000562441996 430133163 /nfs/dbraw/zinc/13/31/63/430133163.db2.gz JVRPEIOAJMGMSN-IBGZPJMESA-N 2 0 304.478 2.644 20 0 DFADRP Cn1cncc1CC[NH2+][C@@H]1CCN(Cc2ccccc2)C2(CC2)C1 ZINC000580551498 430134884 /nfs/dbraw/zinc/13/48/84/430134884.db2.gz PTXWVWZKUDQGDE-GOSISDBHSA-N 2 0 324.472 2.749 20 0 DFADRP C[C@H](C[NH2+][C@H]1CCN([C@H](C)c2ccccc2)C1)Cn1cccn1 ZINC000562490895 430138140 /nfs/dbraw/zinc/13/81/40/430138140.db2.gz FGRLJIYPMWZDFK-LMMKCTJWSA-N 2 0 312.461 2.944 20 0 DFADRP C[NH+]1CCC(N2CC[C@@H]([NH2+][C@@H]3CCCc4sccc43)C2)CC1 ZINC000370638884 277027981 /nfs/dbraw/zinc/02/79/81/277027981.db2.gz ZZJCFEBCAFABLZ-RHSMWYFYSA-N 2 0 319.518 2.884 20 0 DFADRP C[NH2+]C[C@@H]1CCCN(Cc2cccc(-c3ccc(N)cc3)n2)C1 ZINC000634991066 430184683 /nfs/dbraw/zinc/18/46/83/430184683.db2.gz OGGWWSMFTDOGJJ-HNNXBMFYSA-N 2 0 310.445 2.762 20 0 DFADRP Nc1ccc(-c2cccc(C[N@@H+]3C[C@@H]4CCC[C@@H]([NH3+])[C@H]4C3)n2)cc1 ZINC000634991393 430185381 /nfs/dbraw/zinc/18/53/81/430185381.db2.gz CCTBNAHATFNCDE-ZYSHUDEJSA-N 2 0 322.456 2.890 20 0 DFADRP CC1CC[NH+]([C@@H](CNCC23CC(C2)C[NH2+]3)c2cccs2)CC1 ZINC000634995707 430187597 /nfs/dbraw/zinc/18/75/97/430187597.db2.gz MUZXGBGSFWNJKX-PQUAAJSLSA-N 2 0 319.518 2.863 20 0 DFADRP C[C@@H]1C[C@@H](N(C)CC23CC(C2)C[NH2+]3)CC[N@@H+]1Cc1ccccc1 ZINC000634992468 430185544 /nfs/dbraw/zinc/18/55/44/430185544.db2.gz PYXOYYZBLLAXJN-OTBHMBEGSA-N 2 0 313.489 2.723 20 0 DFADRP CC[C@@H]1C[N@H+](Cc2cccc(-c3ccc(N)cc3)n2)CC[C@H]1[NH3+] ZINC000634991262 430185750 /nfs/dbraw/zinc/18/57/50/430185750.db2.gz WONGYIOCCUWGII-RDTXWAMCSA-N 2 0 310.445 2.890 20 0 DFADRP C[C@@H]1C[C@@H]([NH2+]CCCC[NH+]2CCN(C)CC2)c2ccccc21 ZINC000581215613 430187745 /nfs/dbraw/zinc/18/77/45/430187745.db2.gz VIWMKHXFIWKNTE-VQIMIIECSA-N 2 0 301.478 2.852 20 0 DFADRP C[C@]1(C[NH2+][C@@H]2[C@H]3Cc4c(cccc4Br)[C@@H]23)CC[NH2+]C1 ZINC000634997545 430190376 /nfs/dbraw/zinc/19/03/76/430190376.db2.gz NRMGXDHBUNFZPV-XZDPQHSOSA-N 2 0 321.262 2.676 20 0 DFADRP C[C@@H]1C[N@H+](Cc2cnn(-c3ccc(Cl)cc3)c2)C[C@@H]1C[NH3+] ZINC000634998645 430190441 /nfs/dbraw/zinc/19/04/41/430190441.db2.gz IZJLICAZIYMJNS-OCCSQVGLSA-N 2 0 304.825 2.552 20 0 DFADRP COc1cc2c(cc1OC)[C@@H]([NH2+][C@H]1CC[C@H](C[NH3+])CC1)CC2 ZINC000635003231 430190975 /nfs/dbraw/zinc/19/09/75/430190975.db2.gz ATEGWSDPBDUBMO-NOLJZWGESA-N 2 0 304.434 2.798 20 0 DFADRP CCCOc1ccc(C[N@@H+]2C[C@H](C)[C@@H](C[NH3+])C2)cc1OCC ZINC000635000641 430191067 /nfs/dbraw/zinc/19/10/67/430191067.db2.gz SCKFXEOOYJLEQO-HOCLYGCPSA-N 2 0 306.450 2.901 20 0 DFADRP [NH3+][C@H]1CCC[C@@H]1[NH2+][C@@H]1[C@H]2Cc3cc(Br)ccc3[C@@H]12 ZINC000635003914 430191390 /nfs/dbraw/zinc/19/13/90/430191390.db2.gz FYQHQYHSWNNOJG-BTFPBAQTSA-N 2 0 307.235 2.557 20 0 DFADRP C[C@H](NC[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C)c1c[nH+]ccc1N ZINC000635002992 430191910 /nfs/dbraw/zinc/19/19/10/430191910.db2.gz DEMCJLXYHVSTGW-BQFCYCMXSA-N 2 0 324.472 2.913 20 0 DFADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CC(=O)N(c2ccccc2Cl)C1 ZINC000581245747 430191990 /nfs/dbraw/zinc/19/19/90/430191990.db2.gz VIKJXTJEVIORPQ-YDHLFZDLSA-N 2 0 321.852 2.552 20 0 DFADRP CCCOc1ccc(C[N@@H+]2C[C@@H](C)[C@@H](C[NH3+])C2)cc1OCC ZINC000635000642 430192412 /nfs/dbraw/zinc/19/24/12/430192412.db2.gz SCKFXEOOYJLEQO-ZBFHGGJFSA-N 2 0 306.450 2.901 20 0 DFADRP Fc1ccc([C@@H]2OCC[C@H]2[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)cc1F ZINC000635003037 430192466 /nfs/dbraw/zinc/19/24/66/430192466.db2.gz FIENZQNKJCJUOG-NBZYUPRNSA-N 2 0 322.399 2.773 20 0 DFADRP C[N@H+](CCCC[NH+]1CCCCC1)CCC(=O)Nc1cccnc1 ZINC000640534833 430193271 /nfs/dbraw/zinc/19/32/71/430193271.db2.gz WIJGUOCFDQPIMZ-UHFFFAOYSA-N 2 0 318.465 2.608 20 0 DFADRP Cn1nccc1[C@@H]1CCC[C@@H]([NH2+][C@H]2CC[NH2+]CC(C)(C)C2)C1 ZINC000635007713 430193336 /nfs/dbraw/zinc/19/33/36/430193336.db2.gz BEDLOSOQFPQKFR-OAGGEKHMSA-N 2 0 304.482 2.814 20 0 DFADRP C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1C[NH2+]C1CCC(C[NH3+])CC1 ZINC000635005631 430194008 /nfs/dbraw/zinc/19/40/08/430194008.db2.gz VUQKECUSDZVZFN-AILXTGBUSA-N 3 0 315.505 2.862 20 0 DFADRP c1ccc([C@@H]2C[C@H]([NH2+]Cc3cccc4c3CC[NH2+]C4)CCN2)cc1 ZINC000635005856 430194030 /nfs/dbraw/zinc/19/40/30/430194030.db2.gz XAWMCHCDMNHBFY-CTNGQTDRSA-N 2 0 321.468 2.915 20 0 DFADRP CCc1cc(NCc2ccc(F)c(C[NH+](C)C)c2)nc(C)n1 ZINC000542021296 430200710 /nfs/dbraw/zinc/20/07/10/430200710.db2.gz IXNCJGSPWQCQBN-UHFFFAOYSA-N 2 0 302.397 3.160 20 0 DFADRP CN1CC[NH+](CCCC[NH2+]Cc2ccc(C3CC3)cc2)CC1 ZINC000581355543 430201127 /nfs/dbraw/zinc/20/11/27/430201127.db2.gz LSDVASILBKYZMO-UHFFFAOYSA-N 2 0 301.478 2.681 20 0 DFADRP COC1(C[NH2+]C2CC[NH+](C3CCCCC3)CC2)CCOCC1 ZINC000090652445 277187232 /nfs/dbraw/zinc/18/72/32/277187232.db2.gz CPCUQRBWPWMHJF-UHFFFAOYSA-N 2 0 310.482 2.569 20 0 DFADRP Fc1ccc([C@@H]2OCC[C@H]2C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000635012034 430195579 /nfs/dbraw/zinc/19/55/79/430195579.db2.gz IUTVIGGKMZBHTB-DARIXABFSA-N 2 0 318.436 2.881 20 0 DFADRP C[C@H](Nc1cc(N2CC[NH2+]CC2)cc[nH+]1)c1ccc(F)cc1F ZINC000635008295 430195711 /nfs/dbraw/zinc/19/57/11/430195711.db2.gz IQEMSVTXILFQDX-LBPRGKRZSA-N 2 0 318.371 2.943 20 0 DFADRP C[C@H](CC(=O)N(C)c1ccccc1)[NH2+][C@H]1CC[NH2+]CC(C)(C)C1 ZINC000635012324 430195914 /nfs/dbraw/zinc/19/59/14/430195914.db2.gz SNLDIYSROGIAPO-CVEARBPZSA-N 2 0 317.477 2.796 20 0 DFADRP COc1ccc(NC(=O)C[C@H](C)[NH2+][C@H]2CC[C@H](C[NH3+])CC2)cc1 ZINC000635009207 430196316 /nfs/dbraw/zinc/19/63/16/430196316.db2.gz XGCHJFLXCQDIFM-KKUMJFAQSA-N 2 0 319.449 2.519 20 0 DFADRP Cc1nc([C@H](C)Nc2cc(N3CC[NH2+]CC3)cc[nH+]2)c(C)s1 ZINC000635008331 430196397 /nfs/dbraw/zinc/19/63/97/430196397.db2.gz ITOILMLMKYZUSG-NSHDSACASA-N 2 0 317.462 2.738 20 0 DFADRP C[C@H](Cc1cccs1)Nc1cc(N2CC[NH2+]CC2)cc[nH+]1 ZINC000635011296 430196516 /nfs/dbraw/zinc/19/65/16/430196516.db2.gz ZBSGZGSDXTUKJQ-CYBMUJFWSA-N 2 0 302.447 2.596 20 0 DFADRP CC(C)[C@@H]1CC[NH+](CC2(C[N@H+]3CC[C@@H](C(C)C)C3)COC2)C1 ZINC000541999897 430199024 /nfs/dbraw/zinc/19/90/24/430199024.db2.gz FKDNIAAENGDQLD-QZTJIDSGSA-N 2 0 308.510 2.959 20 0 DFADRP CNC(=O)[C@@H]1CCC[C@@H]1[NH2+]C1CC[NH+]([C@H]2CCC[C@H](C)C2)CC1 ZINC000358269320 277243109 /nfs/dbraw/zinc/24/31/09/277243109.db2.gz UOPREWCUARDSMO-OWLYRPNTSA-N 2 0 321.509 2.534 20 0 DFADRP CC(C)C[NH+]1CCC([NH2+]CCC(=O)Nc2cccc(F)c2)CC1 ZINC000581424346 430205203 /nfs/dbraw/zinc/20/52/03/430205203.db2.gz KRKTTWFSBMCXJT-UHFFFAOYSA-N 2 0 321.440 2.864 20 0 DFADRP C[NH2+][C@H](C)Cc1noc(-c2oc3ccccc3c2C[NH+](C)C)n1 ZINC000261738981 277299204 /nfs/dbraw/zinc/29/92/04/277299204.db2.gz KVUXKTIJPGIRPT-LLVKDONJSA-N 2 0 314.389 2.695 20 0 DFADRP C[NH+](C)Cc1cccc(NC(=O)Cc2cccc3c2CC[NH2+]C3)c1 ZINC000638066170 430222953 /nfs/dbraw/zinc/22/29/53/430222953.db2.gz DUZWFKCXFGDLQN-UHFFFAOYSA-N 2 0 323.440 2.575 20 0 DFADRP C[N@@H+](Cc1ccccc1OCCCCO)CC1CC[NH+](C)CC1 ZINC000638029889 430212518 /nfs/dbraw/zinc/21/25/18/430212518.db2.gz XENQHVBXOFHLRC-UHFFFAOYSA-N 2 0 320.477 2.612 20 0 DFADRP [NH3+][C@@H]1CCCO[C@H]1C1CC[NH+](Cc2scnc2C2CC2)CC1 ZINC000565468148 430213017 /nfs/dbraw/zinc/21/30/17/430213017.db2.gz AAPDFDXCVILIIQ-PBHICJAKSA-N 2 0 321.490 2.739 20 0 DFADRP COc1cncc(/C=C\CC[N@@H+]2CC[C@@]3(C2)CCC[NH+](C)C3)c1 ZINC000581486161 430213539 /nfs/dbraw/zinc/21/35/39/430213539.db2.gz YLERDUHIVVWRNX-ORUDLHBZSA-N 2 0 315.461 2.911 20 0 DFADRP CC[NH2+][C@@H](C)C(=O)NC[C@H](c1cccs1)[NH+]1CCC(C)CC1 ZINC000638049406 430218156 /nfs/dbraw/zinc/21/81/56/430218156.db2.gz DZDVSOYKGBCUTG-LSDHHAIUSA-N 2 0 323.506 2.635 20 0 DFADRP C[C@@H]([NH2+]Cc1ccc(C[NH3+])cc1)c1ccc2c(c1)CCC(=O)N2 ZINC000581825090 430241494 /nfs/dbraw/zinc/24/14/94/430241494.db2.gz YTHCTCFRDNUZOV-CYBMUJFWSA-N 2 0 309.413 2.881 20 0 DFADRP C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)C[NH+](C)CC(C)(C)C ZINC000635323849 430254894 /nfs/dbraw/zinc/25/48/94/430254894.db2.gz DMZHTMMGHMIRKF-MRXNPFEDSA-N 2 0 311.514 2.735 20 0 DFADRP CC[C@]1(C[NH2+][C@H]2CN(C3CC3)C[C@H]2C)OCCc2ccccc21 ZINC000581973463 430256491 /nfs/dbraw/zinc/25/64/91/430256491.db2.gz OMINJMMMAVJNIL-UIAACRFSSA-N 2 0 314.473 2.937 20 0 DFADRP C[NH+](C)CCOc1cccc(NC(=O)C[N@H+](C)CC(C)(C)C)c1 ZINC000635460838 430285369 /nfs/dbraw/zinc/28/53/69/430285369.db2.gz ZKTUUAXSFJHLDE-UHFFFAOYSA-N 2 0 321.465 2.543 20 0 DFADRP Cc1nn(-c2cc[nH+]cc2)cc1C[NH+]1CCC(c2cc[nH]n2)CC1 ZINC000544351867 430280276 /nfs/dbraw/zinc/28/02/76/430280276.db2.gz YYWJTCPZSXUQMY-UHFFFAOYSA-N 2 0 322.416 2.678 20 0 DFADRP C[C@H](C(=O)NCc1ccc(C[NH+]2CCCCCC2)cc1)[NH+](C)C ZINC000635449029 430280559 /nfs/dbraw/zinc/28/05/59/430280559.db2.gz NSQLRJZCMMBVMS-MRXNPFEDSA-N 2 0 317.477 2.629 20 0 DFADRP [NH3+][C@H]1CC=C(C(=O)Nc2ccc(CC[NH+]3CCCCC3)cc2)C1 ZINC000638080125 430227788 /nfs/dbraw/zinc/22/77/88/430227788.db2.gz ZDIRNTVJOMLUCE-KRWDZBQOSA-N 2 0 313.445 2.701 20 0 DFADRP CC[NH2+][C@H](C)C(=O)NC[C@H](c1ccccc1)[NH+]1CCC(C)CC1 ZINC000638076743 430228540 /nfs/dbraw/zinc/22/85/40/430228540.db2.gz MYQYVUZGZSKKND-SJLPKXTDSA-N 2 0 317.477 2.574 20 0 DFADRP CC[NH2+][C@H](C)C(=O)N(CC)[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000638079621 430228904 /nfs/dbraw/zinc/22/89/04/430228904.db2.gz PASJAOLPKUOSCI-NUJGCVRESA-N 2 0 317.477 2.668 20 0 DFADRP Cc1cnccc1CCN1CCn2c(nnc2-c2ccccc2)C1 ZINC000581817438 430241230 /nfs/dbraw/zinc/24/12/30/430241230.db2.gz JIRVZECIQBDAAV-UHFFFAOYSA-N 2 0 319.412 2.707 20 0 DFADRP Cc1ccc(CC[NH2+]C2CCN(C3CC[NH+](C)CC3)CC2)cc1 ZINC000638459657 430348644 /nfs/dbraw/zinc/34/86/44/430348644.db2.gz LIZILPRVVUPFRN-UHFFFAOYSA-N 2 0 315.505 2.686 20 0 DFADRP C[NH2+]Cc1ccc(NC(=O)C[N@H+](C)CCc2ccccc2)cc1 ZINC000638255562 430286570 /nfs/dbraw/zinc/28/65/70/430286570.db2.gz KYDBSKSYGSIQLG-UHFFFAOYSA-N 2 0 311.429 2.519 20 0 DFADRP C[C@H]1C[C@@H]([NH3+])CC[N@@H+]1CCOc1ccc(OC(F)(F)F)cc1 ZINC000567748554 430287919 /nfs/dbraw/zinc/28/79/19/430287919.db2.gz XZMONDAWIPCEQF-RYUDHWBXSA-N 2 0 318.339 2.776 20 0 DFADRP C[C@@H]1C[C@@H]([NH3+])CC[N@@H+]1CCOc1ccc(OC(F)(F)F)cc1 ZINC000567748552 430288030 /nfs/dbraw/zinc/28/80/30/430288030.db2.gz XZMONDAWIPCEQF-NEPJUHHUSA-N 2 0 318.339 2.776 20 0 DFADRP C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)CCCC[NH+](C)C)C1 ZINC000582316888 430289473 /nfs/dbraw/zinc/28/94/73/430289473.db2.gz KJKURNXSFWCZGF-IYBDPMFKSA-N 2 0 311.514 2.591 20 0 DFADRP C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)CC[C@H]([NH3+])c1ccccc1 ZINC000567802047 430289673 /nfs/dbraw/zinc/28/96/73/430289673.db2.gz REEXJIGTTFKAKH-NUJGCVRESA-N 2 0 317.477 2.846 20 0 DFADRP C[C@H]([NH2+]Cc1ccc(C[NH+]2CCC(O)CC2)cc1)[C@@H]1CC1(F)F ZINC000638272790 430290558 /nfs/dbraw/zinc/29/05/58/430290558.db2.gz CHKYJUVOAYIMCL-GUYCJALGSA-N 2 0 324.415 2.777 20 0 DFADRP CC(C)[N@@H+]1CCCC[C@@H]1Cn1cc(-c2ccc(C[NH3+])cc2)nn1 ZINC000641170090 430350139 /nfs/dbraw/zinc/35/01/39/430350139.db2.gz VOEWSRFUVXMQDU-QGZVFWFLSA-N 2 0 313.449 2.667 20 0 DFADRP CC[NH2+][C@@H](C)C(=O)Nc1cccc(CC[NH+]2CCC(C)CC2)c1 ZINC000638301096 430297177 /nfs/dbraw/zinc/29/71/77/430297177.db2.gz BODKXTCHACUQOH-INIZCTEOSA-N 2 0 317.477 2.898 20 0 DFADRP CC(C)[NH2+]CCCN[C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000582481432 430302684 /nfs/dbraw/zinc/30/26/84/430302684.db2.gz CBLHBFXOKXZKIN-IEBWSBKVSA-N 2 0 303.494 2.875 20 0 DFADRP Cc1ccc(C[NH+]2CC[C@H](C[N@@H+](C)C[C@H]3CCCO3)C2)s1 ZINC000567994177 430303192 /nfs/dbraw/zinc/30/31/92/430303192.db2.gz FKNMJVLBEJQBTA-HZPDHXFCSA-N 2 0 308.491 2.989 20 0 DFADRP OCCCCOc1ccccc1CNC1CC[NH+](C2CC2)CC1 ZINC000638321375 430304245 /nfs/dbraw/zinc/30/42/45/430304245.db2.gz MKAQFIOHDOSVFF-UHFFFAOYSA-N 2 0 318.461 2.554 20 0 DFADRP Cc1ccc(C[NH2+]CCN2CCC([NH+](C)C)CC2)c(Cl)c1 ZINC000582490119 430304603 /nfs/dbraw/zinc/30/46/03/430304603.db2.gz SETFFVZJMQYAQF-UHFFFAOYSA-N 2 0 309.885 2.764 20 0 DFADRP Cc1cc(C[NH3+])cc(NC(=O)C[N@H+](C)CCc2ccccc2)c1 ZINC000638364309 430317519 /nfs/dbraw/zinc/31/75/19/430317519.db2.gz GFERSJGVNKICGL-UHFFFAOYSA-N 2 0 311.429 2.567 20 0 DFADRP CC(C)[C@@H](C[NH2+][C@H](C)C[C@H]1CCCC(=O)N1)[NH+]1CCC(C)CC1 ZINC000638361711 430317636 /nfs/dbraw/zinc/31/76/36/430317636.db2.gz RKVJUSBKIUHIKT-KZNAEPCWSA-N 2 0 323.525 2.780 20 0 DFADRP C[C@H]1C[C@H]([NH3+])CC[N@@H+]1Cc1ccc(OCc2ccccn2)cc1 ZINC000568103735 430317921 /nfs/dbraw/zinc/31/79/21/430317921.db2.gz IYPFJCPNGVSHIV-DOTOQJQBSA-N 2 0 311.429 2.972 20 0 DFADRP COc1ncc(C[NH2+]CCCC[NH+]2C[C@@H](C)C[C@H](C)C2)s1 ZINC000638369368 430319219 /nfs/dbraw/zinc/31/92/19/430319219.db2.gz GNZFWUMZLMUPEQ-KBPBESRZSA-N 2 0 311.495 2.999 20 0 DFADRP C[C@@H](C[C@H]1CCCC(=O)N1)[NH2+]CCCC[N@@H+]1CCC[C@@H](C)C1 ZINC000638367031 430319292 /nfs/dbraw/zinc/31/92/92/430319292.db2.gz RQGJMPKPOLJOML-IXDOHACOSA-N 2 0 309.498 2.535 20 0 DFADRP Cc1nccn1CCCCNC(=O)[C@@H](CC(C)C)n1ccnc1 ZINC000635604559 430319995 /nfs/dbraw/zinc/31/99/95/430319995.db2.gz XEJWQHDRBBGAOH-MRXNPFEDSA-N 2 0 317.437 2.572 20 0 DFADRP Cc1cc(C[NH2+]Cc2ccc(OCC[NH+](C)C)cc2)sn1 ZINC000638379519 430323350 /nfs/dbraw/zinc/32/33/50/430323350.db2.gz FPWBJPMPWZAMAE-UHFFFAOYSA-N 2 0 305.447 2.682 20 0 DFADRP CCN(C)C[C@H](O)C[N@H+](CCc1ccc(F)cc1)C1CCCC1 ZINC000568169169 430325564 /nfs/dbraw/zinc/32/55/64/430325564.db2.gz CWUJPANUDFOFFN-IBGZPJMESA-N 2 0 322.468 2.925 20 0 DFADRP [NH3+][C@@H]1CCC[C@H]([NH2+]CCOc2ccc(Br)cc2)C1 ZINC000568247591 430338848 /nfs/dbraw/zinc/33/88/48/430338848.db2.gz QXNVIJJSYCGFRC-OLZOCXBDSA-N 2 0 313.239 2.687 20 0 DFADRP Cc1ccc2c(c1)CC[C@@H]2[NH2+]C1CC[NH+](CC(C)(C)O)CC1 ZINC000638426069 430339854 /nfs/dbraw/zinc/33/98/54/430339854.db2.gz SFWPUVBJVNSYCS-SFHVURJKSA-N 2 0 302.462 2.807 20 0 DFADRP C[C@H]1CN(c2cccc(Cl)c2)CC[N@@H+]1CCc1cncn1C ZINC000582853680 430341414 /nfs/dbraw/zinc/34/14/14/430341414.db2.gz KCRNKUFWAVXZFY-AWEZNQCLSA-N 2 0 318.852 2.827 20 0 DFADRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+][C@@H]1CCc2c1cccc2Cl ZINC000546017632 430341814 /nfs/dbraw/zinc/34/18/14/430341814.db2.gz GAQAUSGKEHELEX-RDTXWAMCSA-N 2 0 321.896 2.943 20 0 DFADRP C[C@@H](O)C[N@@H+](Cc1ccccc1)C[C@@H](C[NH3+])c1ccc(F)cc1 ZINC000582899477 430344753 /nfs/dbraw/zinc/34/47/53/430344753.db2.gz PHQXMHCGVAWRHN-CRAIPNDOSA-N 2 0 316.420 2.751 20 0 DFADRP Cc1ccc(O[C@H](C)C[NH2+]C2CC[NH+](CC(C)(C)O)CC2)cc1 ZINC000638701489 430414077 /nfs/dbraw/zinc/41/40/77/430414077.db2.gz FWEZYMPJHGFSFM-MRXNPFEDSA-N 2 0 320.477 2.587 20 0 DFADRP [NH3+][C@H]1CCC[C@H]([NH2+]Cc2c(Cl)cccc2-n2ccnc2)C1 ZINC000569018694 430416663 /nfs/dbraw/zinc/41/66/63/430416663.db2.gz CQWNTAIBNWGIRN-STQMWFEESA-N 2 0 304.825 2.885 20 0 DFADRP COCCC[NH+]1CCC([NH2+]Cc2cc3ccccc3n2C)CC1 ZINC000638483365 430356136 /nfs/dbraw/zinc/35/61/36/430356136.db2.gz KUBVSBWYJUZQRH-UHFFFAOYSA-N 2 0 315.461 2.769 20 0 DFADRP Clc1cc(CN2CCC[C@@]3(CC[NH2+]C3)C2)cc2c1OCO2 ZINC000583014921 430356526 /nfs/dbraw/zinc/35/65/26/430356526.db2.gz KGXNVJIJZFPHHF-INIZCTEOSA-N 2 0 308.809 2.644 20 0 DFADRP COC(=O)CCC[N@H+](C)C[C@H]1CC[NH+](Cc2ccc(C)s2)C1 ZINC000583051390 430358854 /nfs/dbraw/zinc/35/88/54/430358854.db2.gz MGXNIDCKFNZNHC-OAHLLOKOSA-N 2 0 324.490 2.763 20 0 DFADRP CCOC1CC(C[NH2+]C[C@@H]2CC[N@H+](CCc3ccccc3)C2)C1 ZINC000638522133 430366264 /nfs/dbraw/zinc/36/62/64/430366264.db2.gz XOUGKMUZELOJQL-HDYDNRTBSA-N 2 0 316.489 2.956 20 0 DFADRP Cc1nnc([C@H](C)N2CCC(Nc3ccccn3)CC2)s1 ZINC000583155795 430370138 /nfs/dbraw/zinc/37/01/38/430370138.db2.gz PVPMGXBWPQEDBL-NSHDSACASA-N 2 0 303.435 2.879 20 0 DFADRP Cc1ccc2c(c1)[C@H]([NH2+]C1CC[NH+](CC(C)(C)O)CC1)CC2 ZINC000638543058 430372280 /nfs/dbraw/zinc/37/22/80/430372280.db2.gz COMZCKNEMGNRRZ-GOSISDBHSA-N 2 0 302.462 2.807 20 0 DFADRP [NH3+]Cc1cccc2c1N(C(=O)C[C@@H]([NH3+])c1ccccc1)CCC2 ZINC000638544231 430373268 /nfs/dbraw/zinc/37/32/68/430373268.db2.gz KIAACIPUVFMYJU-QGZVFWFLSA-N 2 0 309.413 2.515 20 0 DFADRP CC[N@H+](C)Cc1cccc(C[NH2+][C@H](C)C[C@H]2CCCC(=O)N2)c1 ZINC000638564272 430376329 /nfs/dbraw/zinc/37/63/29/430376329.db2.gz XQFNNUPIYKZREV-CRAIPNDOSA-N 2 0 317.477 2.675 20 0 DFADRP CCC[N@H+](C)C[C@H]1CCN(C(=O)CC[C@H]([NH3+])c2ccccc2)C1 ZINC000568625981 430376440 /nfs/dbraw/zinc/37/64/40/430376440.db2.gz KBRCNLNNMJXXKG-AEFFLSMTSA-N 2 0 317.477 2.657 20 0 DFADRP COc1cc(C)c(C[C@H](C)[NH2+]CC2CC[NH2+]CC2)cc1OC ZINC000583257273 430377730 /nfs/dbraw/zinc/37/77/30/430377730.db2.gz WQQUBNYQONOITP-AWEZNQCLSA-N 2 0 306.450 2.532 20 0 DFADRP COc1cc(C[C@@H](C)[NH2+]C[C@H]2CCC[N@@H+](C(C)C)C2)ccn1 ZINC000638566374 430377869 /nfs/dbraw/zinc/37/78/69/430377869.db2.gz HCNIYSGIOYGDLP-NVXWUHKLSA-N 2 0 305.466 2.731 20 0 DFADRP COc1cc(C[C@H](C)[NH2+]C[C@@H]2CCC[N@@H+](C(C)C)C2)ccn1 ZINC000638566375 430377938 /nfs/dbraw/zinc/37/79/38/430377938.db2.gz HCNIYSGIOYGDLP-RDJZCZTQSA-N 2 0 305.466 2.731 20 0 DFADRP CCN(C(=O)[C@H](C)N1CC[C@]2(C1)CCC[NH2+]C2)c1ccccc1 ZINC000583263689 430378862 /nfs/dbraw/zinc/37/88/62/430378862.db2.gz NNKGLEKQWYGEEN-QFBILLFUSA-N 2 0 315.461 2.504 20 0 DFADRP CC[C@@H]1CCCN(C(C)(C)C[NH2+][C@@H](C)C[C@@H]2CCCC(=O)N2)C1 ZINC000638593843 430383506 /nfs/dbraw/zinc/38/35/06/430383506.db2.gz AINUCUAWSICGNX-BBWFWOEESA-N 2 0 323.525 2.924 20 0 DFADRP C[NH+](C)Cc1cc(C[NH2+]Cc2ccc(CO)cc2)ccc1F ZINC000638635715 430394939 /nfs/dbraw/zinc/39/49/39/430394939.db2.gz YTLMSYWGPFPBGW-UHFFFAOYSA-N 2 0 302.393 2.669 20 0 DFADRP C[C@H]1C[C@@H]1c1ccc(C[N@H+](C)CCCN(C)CC[NH+](C)C)o1 ZINC000583532756 430402397 /nfs/dbraw/zinc/40/23/97/430402397.db2.gz QJORPKWGNJWRLH-RDJZCZTQSA-N 2 0 307.482 2.718 20 0 DFADRP Cc1ccc([C@H](C)C[NH2+]C2CC[NH+](CC(C)(C)O)CC2)cc1 ZINC000638659731 430403235 /nfs/dbraw/zinc/40/32/35/430403235.db2.gz JDNNESSROBBLKQ-MRXNPFEDSA-N 2 0 304.478 2.923 20 0 DFADRP CN(Cc1ccccc1)[C@H](C[NH2+]C[C@@H](O)C(C)(C)C)C1CC1 ZINC000568976625 430411117 /nfs/dbraw/zinc/41/11/17/430411117.db2.gz ADNQCDOGKQZUAH-QZTJIDSGSA-N 2 0 304.478 2.894 20 0 DFADRP CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)CC[C@H]([NH3+])c1ccccc1 ZINC000569249184 430436683 /nfs/dbraw/zinc/43/66/83/430436683.db2.gz WZSOJBSTCOCHFK-MSOLQXFVSA-N 2 0 317.477 2.799 20 0 DFADRP C[C@@H](c1nc(C(C)(C)C)no1)N1CC[C@H](c2nccn2C)C1 ZINC000583879724 430436720 /nfs/dbraw/zinc/43/67/20/430436720.db2.gz AEVZJBBXEMPSAS-RYUDHWBXSA-N 2 0 303.410 2.651 20 0 DFADRP CC(C)[NH+]1CCC(C(=O)N(C)CCCC[NH+]2CCCCC2)CC1 ZINC000641663436 430437290 /nfs/dbraw/zinc/43/72/90/430437290.db2.gz NDQUETWLBWALRX-UHFFFAOYSA-N 2 0 323.525 2.831 20 0 DFADRP Cc1cc(NC(=O)C23CCC[NH+](CCC2)C3)ccc1C[NH+](C)C ZINC000636021480 430440001 /nfs/dbraw/zinc/44/00/01/430440001.db2.gz OZQXOOKIYOPEIM-UHFFFAOYSA-N 2 0 315.461 2.871 20 0 DFADRP CC[N@@H+]1CCCC[C@H]1CNC(=O)CC[NH+](C)C1CCCCC1 ZINC000548064241 430443455 /nfs/dbraw/zinc/44/34/55/430443455.db2.gz DWKSSLKQPSVLMX-KRWDZBQOSA-N 2 0 309.498 2.632 20 0 DFADRP C[C@H]([N@H+](C)CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C)C(C)(C)C ZINC000548113909 430447650 /nfs/dbraw/zinc/44/76/50/430447650.db2.gz OJPJQCYENZDPIN-RDJZCZTQSA-N 2 0 319.493 2.772 20 0 DFADRP COC[C@H](O)C[NH2+]Cc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000569474467 430456340 /nfs/dbraw/zinc/45/63/40/430456340.db2.gz GPHWAKUIOKCCOH-LJQANCHMSA-N 2 0 320.477 2.548 20 0 DFADRP C[C@@H]1CC[N@H+](CC(=O)Nc2cccc(CC[NH+]3CCCC3)c2)C1 ZINC000569473798 430457447 /nfs/dbraw/zinc/45/74/47/430457447.db2.gz WFNRCBTYIDGDFJ-MRXNPFEDSA-N 2 0 315.461 2.605 20 0 DFADRP C[C@H]1Cc2ccccc2N1C1CC[NH+](CC2CC[NH2+]CC2)CC1 ZINC000641794160 430474441 /nfs/dbraw/zinc/47/44/41/430474441.db2.gz RHCCCNMCZIBGNQ-INIZCTEOSA-N 2 0 313.489 2.902 20 0 DFADRP [NH3+][C@@H]1CCO[C@H]1C1CC[NH+](Cc2nsc3ccccc32)CC1 ZINC000641798199 430475597 /nfs/dbraw/zinc/47/55/97/430475597.db2.gz INIBUQBOKROVEF-PBHICJAKSA-N 2 0 317.458 2.625 20 0 DFADRP Cc1cnccc1CC[N@H+](C[C@@H]1CCCO1)[C@H]1CCSC1 ZINC000584348324 430475774 /nfs/dbraw/zinc/47/57/74/430475774.db2.gz MALUJLPHSMTBFC-IRXDYDNUSA-N 2 0 306.475 2.919 20 0 DFADRP CC1(C)[C@H]([NH3+])C[C@H]1[NH2+]CCC(=O)Nc1cccc2ccccc21 ZINC000641808934 430479825 /nfs/dbraw/zinc/47/98/25/430479825.db2.gz VCLPGSPQPBLOFO-IAGOWNOFSA-N 2 0 311.429 2.884 20 0 DFADRP CO[C@@H](C[NH2+]C1CCC([NH+]2CCC(C)CC2)CC1)[C@@H]1CCOC1 ZINC000638776917 430431563 /nfs/dbraw/zinc/43/15/63/430431563.db2.gz SJKLPPCDTAIAJS-UGXKVIGPSA-N 2 0 324.509 2.671 20 0 DFADRP [NH3+][C@@H]1CCO[C@H]([C@H]2CCC[N@H+](C[C@@H]3CCC4(CCCC4)O3)C2)C1 ZINC000641821670 430483036 /nfs/dbraw/zinc/48/30/36/430483036.db2.gz NZYHVLPQUJQARE-MHORFTMASA-N 2 0 322.493 2.697 20 0 DFADRP [NH3+][C@@H]1CCO[C@H]([C@H]2CCC[N@H+](C[C@H]3CCC4(CCCC4)O3)C2)C1 ZINC000641821671 430483228 /nfs/dbraw/zinc/48/32/28/430483228.db2.gz NZYHVLPQUJQARE-MLHJIOFPSA-N 2 0 322.493 2.697 20 0 DFADRP CC1=CC[C@](C)(C(=O)Nc2cc(N3CC[NH2+]CC3)cc[nH+]2)CC1 ZINC000638985992 430488058 /nfs/dbraw/zinc/48/80/58/430488058.db2.gz QYFBTKXEOBVBQU-SFHVURJKSA-N 2 0 314.433 2.566 20 0 DFADRP CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)CC[NH+](C)C1CCCCC1 ZINC000548716640 430495233 /nfs/dbraw/zinc/49/52/33/430495233.db2.gz QMOPNOZQSLINMU-SJLPKXTDSA-N 2 0 321.509 2.726 20 0 DFADRP CC[N@@H+]1C[C@@H](C)N(C(=O)CC[NH+](C)C2CCCCC2)C[C@H]1C ZINC000548721255 430495377 /nfs/dbraw/zinc/49/53/77/430495377.db2.gz LBKMTCIACUPXIM-HZPDHXFCSA-N 2 0 309.498 2.582 20 0 DFADRP COc1cc(C[C@H](C)[NH2+]CC[C@H](C)[NH+]2CCCCC2)ccn1 ZINC000639036905 430497844 /nfs/dbraw/zinc/49/78/44/430497844.db2.gz DLEJZJQCRLBCRJ-HOTGVXAUSA-N 2 0 305.466 2.875 20 0 DFADRP CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)C(C)(C)c2c[nH]cn2)C1 ZINC000548748192 430498424 /nfs/dbraw/zinc/49/84/24/430498424.db2.gz KTFKITQEGYKBLG-CQSZACIVSA-N 2 0 320.481 2.704 20 0 DFADRP CC(C)C1(C[NH+]2CCC(C)(C[NH+]3CCN(C)CC3)CC2)CC1 ZINC000639044483 430500964 /nfs/dbraw/zinc/50/09/64/430500964.db2.gz NRTWMZKUYKUDJP-UHFFFAOYSA-N 2 0 307.526 2.772 20 0 DFADRP CC[NH+]1CCN(c2cccc(N[C@H]3CC[N@H+](C)[C@@H](C)C3)c2)CC1 ZINC000639057344 430505181 /nfs/dbraw/zinc/50/51/81/430505181.db2.gz MUJISZUWOINFBB-WMZOPIPTSA-N 2 0 316.493 2.723 20 0 DFADRP [NH3+][C@@H]1CCC[C@@H]([NH2+]CC2(c3ccc(F)cc3)CCOCC2)C1 ZINC000570411067 430541054 /nfs/dbraw/zinc/54/10/54/430541054.db2.gz TWAYQFLYGXXVHM-IAGOWNOFSA-N 2 0 306.425 2.733 20 0 DFADRP [NH3+]C[C@@H]1CCN(C(=O)CC2(C[NH3+])CCCCC2)c2ccccc21 ZINC000639064400 430509316 /nfs/dbraw/zinc/50/93/16/430509316.db2.gz FBYIXNDDHRXDET-HNNXBMFYSA-N 2 0 315.461 2.765 20 0 DFADRP CCCc1ccc(C[NH2+]CC(C)(C)N2CC[NH+](C)CC2)cc1 ZINC000642340204 430512374 /nfs/dbraw/zinc/51/23/74/430512374.db2.gz MVZHPLCVCNBXRR-UHFFFAOYSA-N 2 0 303.494 2.755 20 0 DFADRP C[N@H+](C[C@@H]1CCN(c2ccccc2)C1)C[C@@H]1CCc2nccn2C1 ZINC000639078337 430515578 /nfs/dbraw/zinc/51/55/78/430515578.db2.gz ZLNZONILZDLJPN-ROUUACIJSA-N 2 0 324.472 2.904 20 0 DFADRP Cc1cccc(NC(=O)C[C@H](C)[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000642630961 430522977 /nfs/dbraw/zinc/52/29/77/430522977.db2.gz SHQHVKPJJNYCOC-SZMVWBNQSA-N 2 0 315.461 2.929 20 0 DFADRP Cc1cc(Cl)cc(C[NH2+]CCCC[NH+]2CCN(C)CC2)c1 ZINC000549709603 430530630 /nfs/dbraw/zinc/53/06/30/430530630.db2.gz JHRHHTNYMUKUFA-UHFFFAOYSA-N 2 0 309.885 2.766 20 0 DFADRP c1ccc([C@H](C[NH+]2CCCCC2)N[C@@H]2CCC[NH2+]CC2)cc1 ZINC000643451859 430600824 /nfs/dbraw/zinc/60/08/24/430600824.db2.gz MKNGJDCRZMBSKM-MOPGFXCFSA-N 2 0 301.478 2.945 20 0 DFADRP CCCN1CCC[C@H]1C[NH2+]C[C@H]1CCN(c2ccccc2)C1 ZINC000639165386 430551000 /nfs/dbraw/zinc/55/10/00/430551000.db2.gz HMSRCTWTHJNAFH-MJGOQNOKSA-N 2 0 301.478 2.977 20 0 DFADRP CCCN1CCC[C@H]1C[NH2+]C[C@@H]1CCN(c2ccccc2)C1 ZINC000639165385 430551193 /nfs/dbraw/zinc/55/11/93/430551193.db2.gz HMSRCTWTHJNAFH-HKUYNNGSSA-N 2 0 301.478 2.977 20 0 DFADRP O[C@H](C[NH2+][C@@H]1CCN(C2CC2)[C@H](c2ccccc2)C1)C1CC1 ZINC000639173058 430554287 /nfs/dbraw/zinc/55/42/87/430554287.db2.gz SORCOMQFYCRXAQ-NZSAHSFTSA-N 2 0 300.446 2.715 20 0 DFADRP CCN(CCC[NH+](CC)CC)Cc1cccn(C(F)F)c1=O ZINC000639174070 430555603 /nfs/dbraw/zinc/55/56/03/430555603.db2.gz NWYFCSFUFGFQFH-UHFFFAOYSA-N 2 0 315.408 2.797 20 0 DFADRP CO[C@H](Cc1ccccc1)C[N@@H+]1CCC[C@@H]2C[NH+](C)CC[C@@H]21 ZINC000639180281 430558834 /nfs/dbraw/zinc/55/88/34/430558834.db2.gz WDOONZKUVDOURU-QRVBRYPASA-N 2 0 302.462 2.660 20 0 DFADRP Cc1ccc(C[NH+]2CC[C@@H](C[N@H+](C)CCn3ccnc3)C2)s1 ZINC000570686590 430568315 /nfs/dbraw/zinc/56/83/15/430568315.db2.gz FTOJDPMUXRKSFA-INIZCTEOSA-N 2 0 318.490 2.707 20 0 DFADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+][C@H]1CCC[C@H](N2CCCC2=O)C1 ZINC000570699098 430569507 /nfs/dbraw/zinc/56/95/07/430569507.db2.gz PLFWFCCCSPLPSM-OWSLCNJRSA-N 2 0 321.509 2.820 20 0 DFADRP CC[C@H](C)[C@@H](C[N@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2CCOC)OC ZINC000639209965 430571682 /nfs/dbraw/zinc/57/16/82/430571682.db2.gz BVHXGFYEPPWCAX-HVVXOQGOSA-N 2 0 312.498 2.621 20 0 DFADRP C[N@@H+]1CCC[C@@]2(CC[NH+](C[C@@H]3CCN(c4ccccc4)C3)C2)C1 ZINC000639206905 430572659 /nfs/dbraw/zinc/57/26/59/430572659.db2.gz CZXGPAPBDDPQKA-AZUAARDMSA-N 2 0 313.489 2.931 20 0 DFADRP C[NH+]1CCC(N2CC[C@@H]([NH2+]Cc3cccc(C4CC4)c3)C2)CC1 ZINC000643289038 430575366 /nfs/dbraw/zinc/57/53/66/430575366.db2.gz JWAHCHHYVYAXTQ-LJQANCHMSA-N 2 0 313.489 2.822 20 0 DFADRP C[C@H](CCCC[NH3+])[NH2+]C[C@H]1CCN(c2ccc(F)c(F)c2)C1 ZINC000643453252 430602588 /nfs/dbraw/zinc/60/25/88/430602588.db2.gz UCCUULUETVRULI-ZIAGYGMSSA-N 2 0 311.420 2.898 20 0 DFADRP Cc1sccc1C[N@H+]1CC[C@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000552060540 430582944 /nfs/dbraw/zinc/58/29/44/430582944.db2.gz GJDHICWPWIVVEK-KRWDZBQOSA-N 2 0 307.507 2.657 20 0 DFADRP COc1ccc2c(c1)[C@@H]([NH2+][C@@H]1CC[N@H+](C)[C@@H]3CCC[C@@H]31)CCO2 ZINC000552065204 430583804 /nfs/dbraw/zinc/58/38/04/430583804.db2.gz JTEUCXXDNVCZRE-NRSFXHEJSA-N 2 0 316.445 2.981 20 0 DFADRP c1ccc(CN2CCCO[C@H](C[NH+]3C4CCC3CC4)C2)cc1 ZINC000570871883 430584421 /nfs/dbraw/zinc/58/44/21/430584421.db2.gz QDAUJALLDWMNHI-ACBHZAAOSA-N 2 0 300.446 2.904 20 0 DFADRP C[C@@H]([NH2+]C[C@@H]1CCN(c2ccc(F)c(F)c2)C1)[C@H]1CCC[NH2+]1 ZINC000643453193 430602020 /nfs/dbraw/zinc/60/20/20/430602020.db2.gz MREOKYKEGOUSSR-IIYDPXPESA-N 2 0 309.404 2.521 20 0 DFADRP CC[C@@H](C(=O)OC)[NH+]1CCC(CC[N@H+](CC)CC2CC2)CC1 ZINC000552441250 430597270 /nfs/dbraw/zinc/59/72/70/430597270.db2.gz UGYSRFJJRMAGKJ-KRWDZBQOSA-N 2 0 310.482 2.772 20 0 DFADRP COc1cc2c(cc1F)[nH+]ccc2N1CC[NH2+][C@@H](C(C)C)C1 ZINC000643029349 430543390 /nfs/dbraw/zinc/54/33/90/430543390.db2.gz QVNAFRXJTYJKDJ-OAHLLOKOSA-N 2 0 303.381 2.817 20 0 DFADRP COc1cccc2c1OC[C@H]([NH2+][C@H]1C[C@H]([NH3+])c3ccccc31)C2 ZINC000643451953 430600613 /nfs/dbraw/zinc/60/06/13/430600613.db2.gz CVVWAMSBXZUXSA-COXVUDFISA-N 2 0 310.397 2.733 20 0 DFADRP C[C@@H](C(=O)Nc1ccccc1C[NH+](C)C)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000554727476 430651394 /nfs/dbraw/zinc/65/13/94/430651394.db2.gz DAZFLODWGIGSRG-ZNMIVQPWSA-N 2 0 303.450 2.948 20 0 DFADRP C[C@H]([NH3+])[C@H]1COCC[C@H]1[NH2+]CCc1ccc(C(F)(F)F)cc1 ZINC000643456667 430602791 /nfs/dbraw/zinc/60/27/91/430602791.db2.gz VTTGOPBGSRTEAA-NILFDRSVSA-N 2 0 316.367 2.590 20 0 DFADRP C[C@H]([NH2+]C[C@@H]1CCN(c2ccc(F)c(F)c2)C1)[C@H]1CCC[NH2+]C1 ZINC000643453221 430603001 /nfs/dbraw/zinc/60/30/01/430603001.db2.gz POERXORAFSWRDQ-KKUMJFAQSA-N 2 0 323.431 2.769 20 0 DFADRP c1ccc(CCCC[NH2+][C@@H]2CCOC[C@@H]2[C@@H]2CCC[NH2+]2)cc1 ZINC000643458265 430603591 /nfs/dbraw/zinc/60/35/91/430603591.db2.gz DSZBKDRRZAWDAH-CEXWTWQISA-N 2 0 302.462 2.756 20 0 DFADRP C[C@H](NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1)[C@H]1CCC[NH2+]C1 ZINC000643457651 430603919 /nfs/dbraw/zinc/60/39/19/430603919.db2.gz UPSPIDAPJPWDFZ-IHPCNDPISA-N 2 0 315.505 2.876 20 0 DFADRP FC(F)(F)c1cnc(NCC[NH2+]C2CC[NH2+]CC2)c(Cl)c1 ZINC000643461053 430604606 /nfs/dbraw/zinc/60/46/06/430604606.db2.gz DTXQRPLNCDPDDD-UHFFFAOYSA-N 2 0 322.762 2.507 20 0 DFADRP c1ccc(CCCC[NH2+][C@@H]2CCOC[C@H]2[C@H]2CCC[NH2+]2)cc1 ZINC000643458274 430604745 /nfs/dbraw/zinc/60/47/45/430604745.db2.gz DSZBKDRRZAWDAH-IPMKNSEASA-N 2 0 302.462 2.756 20 0 DFADRP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+][C@@H]1CCN(c2ccc(F)cc2F)C1 ZINC000643462721 430604756 /nfs/dbraw/zinc/60/47/56/430604756.db2.gz CQLXXVPSLZQNFY-JGGQBBKZSA-N 2 0 309.404 2.651 20 0 DFADRP Cc1ccc(C[NH2+][C@H]2CCCC[C@@H]2C[NH3+])c(N2CCCC2)n1 ZINC000643471258 430605766 /nfs/dbraw/zinc/60/57/66/430605766.db2.gz KRTYHTXWVMTSPX-WBVHZDCISA-N 2 0 302.466 2.597 20 0 DFADRP c1ccc2c(c1)O[C@@]1(CC[NH2+]C1)C[C@@H]2[NH2+]CCOCC1CCC1 ZINC000643481267 430606962 /nfs/dbraw/zinc/60/69/62/430606962.db2.gz BPCZQYODVTYYLY-HKUYNNGSSA-N 2 0 316.445 2.649 20 0 DFADRP CCOc1ccc2c(c1)[C@H]([NH2+][C@@H]1CC[NH2+]CC[C@H]1C)CCO2 ZINC000643482486 430607064 /nfs/dbraw/zinc/60/70/64/430607064.db2.gz RGPJBDSLGSFHQA-KBRIMQKVSA-N 2 0 304.434 2.887 20 0 DFADRP C[C@H]([NH3+])C[C@H](C)N[C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]12 ZINC000643480370 430607505 /nfs/dbraw/zinc/60/75/05/430607505.db2.gz CJMAJVYWXOAPAF-NXJYUQPGSA-N 2 0 301.478 2.612 20 0 DFADRP Cc1cccc(NC(=O)C[C@@H](C)[NH2+]CC2CC[NH2+]CC2)c1C ZINC000643497757 430608254 /nfs/dbraw/zinc/60/82/54/430608254.db2.gz CWLSSPJBDDTNJH-CQSZACIVSA-N 2 0 303.450 2.610 20 0 DFADRP CN(C(=O)CC[NH+](C)C1CCCCC1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000553120878 430608406 /nfs/dbraw/zinc/60/84/06/430608406.db2.gz CLHRZXXOHZJRST-JWTNVVGKSA-N 2 0 321.509 2.725 20 0 DFADRP [NH3+]CCC[NH2+][C@H](c1ccc(Br)cc1)[C@@H]1CCCO1 ZINC000643496708 430609230 /nfs/dbraw/zinc/60/92/30/430609230.db2.gz MQABGKQVCBBBGU-UONOGXRCSA-N 2 0 313.239 2.608 20 0 DFADRP c1ccc(C[N@H+]2CC[C@H](NCC[NH2+]C3CC3)[C@@H]3CCC[C@@H]32)cc1 ZINC000643507391 430611760 /nfs/dbraw/zinc/61/17/60/430611760.db2.gz BNHKQVJNCVEPCT-UFYCRDLUSA-N 2 0 313.489 2.771 20 0 DFADRP c1ccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@H](N[C@H]2CCC[NH2+]CC2)C3)cc1 ZINC000643523118 430612761 /nfs/dbraw/zinc/61/27/61/430612761.db2.gz WXFYGLRHSHZXGY-LWYYNNOASA-N 2 0 313.489 2.914 20 0 DFADRP Fc1ccc(N2CCC([NH2+][C@H]3CCC[NH2+]CC3)CC2)c(F)c1 ZINC000643522567 430612927 /nfs/dbraw/zinc/61/29/27/430612927.db2.gz PMAXGEIWUVGMHU-AWEZNQCLSA-N 2 0 309.404 2.665 20 0 DFADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+][C@H]1CC(C)(C)Oc2ccc(N)cc21 ZINC000643533017 430613542 /nfs/dbraw/zinc/61/35/42/430613542.db2.gz MTPHKYHBKOXPCM-KCXAZCMYSA-N 2 0 303.450 2.849 20 0 DFADRP C[C@H]([NH2+][C@@H]1CC12CC[NH2+]CC2)c1ncc(-c2ccccc2)n1C ZINC000643536727 430614174 /nfs/dbraw/zinc/61/41/74/430614174.db2.gz VDBDXKSDICJQQK-WMLDXEAASA-N 2 0 310.445 2.880 20 0 DFADRP CC(C)(C)[NH+]1CCC([NH2+][C@@H]2CCC[C@@H](N3CCCC3=O)C2)CC1 ZINC000571225783 430615090 /nfs/dbraw/zinc/61/50/90/430615090.db2.gz BEKPDEJGGVCFCO-IAGOWNOFSA-N 2 0 321.509 2.773 20 0 DFADRP CC(C)(C)[NH+]1CCC([NH2+][C@@H]2CCC[C@H](N3CCCC3=O)C2)CC1 ZINC000571225787 430615136 /nfs/dbraw/zinc/61/51/36/430615136.db2.gz BEKPDEJGGVCFCO-SJORKVTESA-N 2 0 321.509 2.773 20 0 DFADRP Cn1nccc1[C@@H]1CCC[C@@H]([NH2+][C@H]2CC[NH2+]C3(CCC3)C2)C1 ZINC000643548564 430615625 /nfs/dbraw/zinc/61/56/25/430615625.db2.gz RDEMOTSQEGDSOF-OAGGEKHMSA-N 2 0 302.466 2.711 20 0 DFADRP CO[C@H](C[NH2+]C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1C)C1CC1 ZINC000639359406 430620104 /nfs/dbraw/zinc/62/01/04/430620104.db2.gz MGFABKKLWUWVGO-AYOQOUSVSA-N 2 0 302.462 2.769 20 0 DFADRP Cc1cc(Cl)cc(C[NH2+][C@@H]2CCC[C@@H]2N2CC[C@@H](O)C2)c1 ZINC000639370787 430622551 /nfs/dbraw/zinc/62/25/51/430622551.db2.gz DCZSEFKECBCUTA-ZACQAIPSSA-N 2 0 308.853 2.726 20 0 DFADRP C[C@@H](CCc1cccc(F)c1)[NH2+][C@@H]1CCC[C@@H]1N1CC[C@H](O)C1 ZINC000639371499 430622675 /nfs/dbraw/zinc/62/26/75/430622675.db2.gz SPFREKAQYUMMOE-FZDIXFNVSA-N 2 0 320.452 2.724 20 0 DFADRP C[C@@H](Cc1ccc(Cl)cc1)[NH2+][C@@H]1CCC[C@@H]1N1CC[C@H](O)C1 ZINC000639371234 430622714 /nfs/dbraw/zinc/62/27/14/430622714.db2.gz FYJUZVKIDJTBPO-RUGDWHBFSA-N 2 0 322.880 2.848 20 0 DFADRP C[C@@H](CCc1ccc(F)cc1)[NH2+][C@@H]1CCC[C@@H]1N1CC[C@H](O)C1 ZINC000639369979 430622761 /nfs/dbraw/zinc/62/27/61/430622761.db2.gz BIMNVIQAWFEJEY-FZDIXFNVSA-N 2 0 320.452 2.724 20 0 DFADRP C[C@@H]([NH2+][C@@H]1CCC[C@@H]1N1CC[C@H](O)C1)C1CCC(F)(F)CC1 ZINC000639373675 430625109 /nfs/dbraw/zinc/62/51/09/430625109.db2.gz SXLVPXVBUOAWSS-BVUBDWEXSA-N 2 0 316.436 2.778 20 0 DFADRP O[C@H]1CCN([C@@H]2CCC[C@@H]2[NH2+]C2CCc3ccccc3CC2)C1 ZINC000639373280 430625633 /nfs/dbraw/zinc/62/56/33/430625633.db2.gz POOSDKBFVUEHBH-SLFFLAALSA-N 2 0 314.473 2.511 20 0 DFADRP c1cc(N2CCC([NH2+][C@H](C3CCC3)[C@H]3CCCO3)CC2)cc[nH+]1 ZINC000639390066 430632572 /nfs/dbraw/zinc/63/25/72/430632572.db2.gz SUPIWGWKGGPFPK-RTBURBONSA-N 2 0 315.461 2.988 20 0 DFADRP CC[NH+](CC)Cc1cccc(CNC(=O)CC[NH2+]C(C)C)c1 ZINC000554301299 430632993 /nfs/dbraw/zinc/63/29/93/430632993.db2.gz ATFFDNFTCMQWAC-UHFFFAOYSA-N 2 0 305.466 2.533 20 0 DFADRP CCCC[N@H+](C)CC1CC[NH+]([C@@H]2CCN(C3CCC3)C2=O)CC1 ZINC000639454893 430643898 /nfs/dbraw/zinc/64/38/98/430643898.db2.gz JRAUKIFZXTYFMO-GOSISDBHSA-N 2 0 321.509 2.584 20 0 DFADRP O[C@@H](C[NH2+]C1CC[NH+](C2CCCCC2)CC1)CC(F)(F)F ZINC000571994217 430665298 /nfs/dbraw/zinc/66/52/98/430665298.db2.gz MUKUSPUHRBIYTQ-CQSZACIVSA-N 2 0 308.388 2.686 20 0 DFADRP Cc1ccccc1[C@H](CO)[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000572220912 430677019 /nfs/dbraw/zinc/67/70/19/430677019.db2.gz SQKXZJABMUZLBH-IBGZPJMESA-N 2 0 311.429 2.682 20 0 DFADRP COc1cccc2c1CC[C@H]([NH2+][C@H]1CC[N@@H+]3CCC[C@@H]3C1)C2 ZINC000365251488 278035898 /nfs/dbraw/zinc/03/58/98/278035898.db2.gz XFUWTTLTOAOCMO-YESZJQIVSA-N 2 0 300.446 2.769 20 0 DFADRP COC[C@@H](C)C[NH2+]Cc1ccc(OC2CC[NH+](C)CC2)cc1 ZINC000556604708 430687487 /nfs/dbraw/zinc/68/74/87/430687487.db2.gz LJLGHEKLADUDIL-HNNXBMFYSA-N 2 0 306.450 2.532 20 0 DFADRP C[C@@H]1CC[N@H+](CC[C@H]2CCC[NH+]2C)C[C@H]1C(=O)OC(C)(C)C ZINC000572479853 430688477 /nfs/dbraw/zinc/68/84/77/430688477.db2.gz NDYZNWMMPWVPRB-BZUAXINKSA-N 2 0 310.482 2.770 20 0 DFADRP CSC1(C[NH2+][C@@H]2CC[N@H+](C[C@@H]3CCCO3)C[C@H]2C)CCC1 ZINC000373896852 278125766 /nfs/dbraw/zinc/12/57/66/278125766.db2.gz HZFQZJCWOFZUGX-OWCLPIDISA-N 2 0 312.523 2.751 20 0 DFADRP CSC1(C[NH2+][C@@H]2CC[N@H+](C[C@@H]3CCCO3)C[C@@H]2C)CCC1 ZINC000373896850 278125800 /nfs/dbraw/zinc/12/58/00/278125800.db2.gz HZFQZJCWOFZUGX-HRCADAONSA-N 2 0 312.523 2.751 20 0 DFADRP CC1(C)CC([NH2+][C@H]2CCO[C@H](C(F)(F)F)C2)CC(C)(C)[NH2+]1 ZINC000314766972 278191123 /nfs/dbraw/zinc/19/11/23/278191123.db2.gz JBVUPNVXHJCDIM-JQWIXIFHSA-N 2 0 308.388 2.995 20 0 DFADRP C[C@@H](CCN1CC[NH+](C)CC1)[NH2+][C@@H](C)c1cccc(F)c1F ZINC000186600025 278231883 /nfs/dbraw/zinc/23/18/83/278231883.db2.gz NJZAJKPZNZRPNY-KBPBESRZSA-N 2 0 311.420 2.641 20 0 DFADRP C[C@H]([NH2+][C@@H]1CCC[C@H]([NH+](C)C)C1)c1ccc(C(=O)N(C)C)cc1 ZINC000292367129 278272373 /nfs/dbraw/zinc/27/23/73/278272373.db2.gz YZINGKAUQPOXHP-QGTPRVQTSA-N 2 0 317.477 2.912 20 0 DFADRP C[C@@H](C[NH2+]C1CCN(c2nccs2)CC1)C[NH+]1CCCCC1 ZINC000373288055 278282931 /nfs/dbraw/zinc/28/29/31/278282931.db2.gz LFJCELGBZMAFIE-HNNXBMFYSA-N 2 0 322.522 2.824 20 0 DFADRP C[C@@H](C[NH2+][C@@H]1CCCc2sccc21)CN1CC[NH+](C)CC1 ZINC000120996097 278285318 /nfs/dbraw/zinc/28/53/18/278285318.db2.gz JZIVZMHYSYKZPC-GOEBONIOSA-N 2 0 307.507 2.599 20 0 DFADRP CC(C)(C)C1CCC(C[N@@H+]2CC[C@H](N3CC[NH2+]CC3)C2)CC1 ZINC000262488381 278300655 /nfs/dbraw/zinc/30/06/55/278300655.db2.gz KSPIZLDJVAGCIC-ABHNRTSZSA-N 2 0 307.526 2.818 20 0 DFADRP C[C@@H]([N@H+](C)CC(=O)NC[C@H](c1ccccc1)[NH+](C)C)C1(C)CC1 ZINC000249293232 278303077 /nfs/dbraw/zinc/30/30/77/278303077.db2.gz LJYXDJTVCNMPSB-NVXWUHKLSA-N 2 0 317.477 2.526 20 0 DFADRP CC[C@@H](C[NH2+][C@H](C)c1ccnn1C)N1CCc2ccccc2C1 ZINC000572808143 430697158 /nfs/dbraw/zinc/69/71/58/430697158.db2.gz AOCYHNDDGDOWFB-QAPCUYQASA-N 2 0 312.461 2.908 20 0 DFADRP C[C@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]CCOCC(F)F)CC1 ZINC000372952951 278335181 /nfs/dbraw/zinc/33/51/81/278335181.db2.gz SLQHUWPGRDNOSN-ZFWWWQNUSA-N 2 0 304.425 2.901 20 0 DFADRP C[C@@H]([NH2+]CC1(C)CC[NH+](C)CC1)c1nc2ccccc2n1C ZINC000319129108 278339947 /nfs/dbraw/zinc/33/99/47/278339947.db2.gz RJGGBBGTNAXYLW-CQSZACIVSA-N 2 0 300.450 2.956 20 0 DFADRP Cc1[nH+]c2c(Cl)cccc2c(N2CCO[C@@H](C[NH3+])C2)c1C ZINC000573076222 430699592 /nfs/dbraw/zinc/69/95/92/430699592.db2.gz ZUDHITMCMBKTCX-LBPRGKRZSA-N 2 0 305.809 2.669 20 0 DFADRP [NH3+][C@@H](CCC(=O)N[C@H]1CC[NH2+]C12CCCC2)CC1CCCCC1 ZINC000648211684 430714351 /nfs/dbraw/zinc/71/43/51/430714351.db2.gz YAUGKTRFKZIFBX-IRXDYDNUSA-N 2 0 321.509 2.855 20 0 DFADRP COc1ccc([C@H](C)C[NH2+]C2CCN([C@@H]3CCOC3)CC2)cc1 ZINC000657753601 430725060 /nfs/dbraw/zinc/72/50/60/430725060.db2.gz YGFPIBADAHNLLL-CRAIPNDOSA-N 2 0 318.461 2.642 20 0 DFADRP Cc1ccc(C[NH2+]C2CCN([C@H]3CCOC3)CC2)cc1Cl ZINC000657752850 430725882 /nfs/dbraw/zinc/72/58/82/430725882.db2.gz SQEPIGZHXULBCF-INIZCTEOSA-N 2 0 308.853 2.991 20 0 DFADRP Cc1c(F)cccc1NC(=O)CC[NH2+]C1CC[NH+](C(C)C)CC1 ZINC000644513459 430739850 /nfs/dbraw/zinc/73/98/50/430739850.db2.gz JRIPTACBQHLTSP-UHFFFAOYSA-N 2 0 321.440 2.925 20 0 DFADRP CC(C)OCC[C@@H](O)C[NH2+]Cc1cccc(C[NH+]2CCCC2)c1 ZINC000644519529 430742017 /nfs/dbraw/zinc/74/20/17/430742017.db2.gz YIZMDYMZBKEPIK-LJQANCHMSA-N 2 0 320.477 2.548 20 0 DFADRP CC1CC[NH+](CCCC[NH2+]C[C@@H](O)Cc2ccccc2)CC1 ZINC000644522468 430742815 /nfs/dbraw/zinc/74/28/15/430742815.db2.gz BDMGYFOULMAZCQ-IBGZPJMESA-N 2 0 304.478 2.692 20 0 DFADRP CC[C@H]([NH2+]C1CCN(C[C@H]2CCCO2)CC1)c1ccncc1 ZINC000651228801 430743020 /nfs/dbraw/zinc/74/30/20/430743020.db2.gz CYTNQVBVBKZLSH-MSOLQXFVSA-N 2 0 303.450 2.766 20 0 DFADRP c1cc(C[NH2+]CC2CC[NH+](CC3CC3)CC2)c2c(c1)OCCO2 ZINC000657813072 430743831 /nfs/dbraw/zinc/74/38/31/430743831.db2.gz ZIRLQIJAVUSKDZ-UHFFFAOYSA-N 2 0 316.445 2.669 20 0 DFADRP CC(C)(C)[C@@H](O)C[NH2+]CC1CC[NH+](Cc2cccs2)CC1 ZINC000644532468 430746943 /nfs/dbraw/zinc/74/69/43/430746943.db2.gz SJSWQLNJJZXGAD-INIZCTEOSA-N 2 0 310.507 2.957 20 0 DFADRP C[C@@H](Cc1cnccn1)[NH2+][C@@H](Cc1nccn1C)c1ccccc1 ZINC000651238854 430747932 /nfs/dbraw/zinc/74/79/32/430747932.db2.gz MUHQVRAHNBQQQD-YJBOKZPZSA-N 2 0 321.428 2.715 20 0 DFADRP C[NH+](C)CCOc1cccc(C[NH2+]C2CC(CF)(CF)C2)c1 ZINC000657840823 430749803 /nfs/dbraw/zinc/74/98/03/430749803.db2.gz KRVPHAJZAJRZHL-UHFFFAOYSA-N 2 0 312.404 2.804 20 0 DFADRP COCCN1CCC([NH2+][C@H](C)c2cc3cnccc3o2)CC1 ZINC000657850814 430751972 /nfs/dbraw/zinc/75/19/72/430751972.db2.gz XONZLRHEXYJCTH-CYBMUJFWSA-N 2 0 303.406 2.589 20 0 DFADRP Cc1c(F)cccc1NC(=O)CC[NH2+][C@H](C)C1CC[NH+](C)CC1 ZINC000644562971 430754399 /nfs/dbraw/zinc/75/43/99/430754399.db2.gz JDJMFFVHPNOBPQ-CQSZACIVSA-N 2 0 321.440 2.783 20 0 DFADRP CN(Cc1ccccc1)C[C@H](O)C[NH2+][C@H]1C[C@@]1(C)c1ccccc1 ZINC000644574670 430756172 /nfs/dbraw/zinc/75/61/72/430756172.db2.gz BIKRMGRTTZOUGD-HKBOAZHASA-N 2 0 324.468 2.799 20 0 DFADRP CC[C@H](Cc1ccc(Cl)cc1)[NH2+]C[C@@H](C)N1CC[NH+](C)CC1 ZINC000657872352 430756879 /nfs/dbraw/zinc/75/68/79/430756879.db2.gz NGHVCJKNKMAJMU-CRAIPNDOSA-N 2 0 323.912 2.887 20 0 DFADRP CN(C)C[C@H](O)C[NH2+][C@H]1CCCC[C@H]1c1ccccc1Cl ZINC000657875775 430759957 /nfs/dbraw/zinc/75/99/57/430759957.db2.gz PFUWANAHESPXNT-KMFMINBZSA-N 2 0 310.869 2.878 20 0 DFADRP CCN1C[C@H](C)[C@H]([NH2+]C[C@H](O)Cc2ccc3ccccc3c2)C1 ZINC000644588610 430760236 /nfs/dbraw/zinc/76/02/36/430760236.db2.gz YKNKKMSLCQNWKK-CWFSZBLJSA-N 2 0 312.457 2.673 20 0 DFADRP c1cc2n(n1)CCC[C@H]2[NH2+]CC1CCN(c2cc[nH+]cc2)CC1 ZINC000657910995 430765729 /nfs/dbraw/zinc/76/57/29/430765729.db2.gz YUXLHTSTLAAJNF-QGZVFWFLSA-N 2 0 311.433 2.619 20 0 DFADRP CC(C)[C@H]1[N@H+](C[C@@H](O)CN(C)Cc2ccccc2)CC12CCC2 ZINC000644608576 430767538 /nfs/dbraw/zinc/76/75/38/430767538.db2.gz OVETXTDTZGKMCT-RBUKOAKNSA-N 2 0 316.489 2.990 20 0 DFADRP C[NH+](C)CCOc1cc(C[NH2+][C@H]2[C@@H]3CCC[C@@H]3C2(C)C)ccn1 ZINC000657935667 430771692 /nfs/dbraw/zinc/77/16/92/430771692.db2.gz NLPAQYJBEYVKMM-RYRKJORJSA-N 2 0 317.477 2.936 20 0 DFADRP C[C@H]([NH2+]Cc1ccnc(OCC[NH+](C)C)c1)C(C)(C)C(F)F ZINC000657937300 430773371 /nfs/dbraw/zinc/77/33/71/430773371.db2.gz UHZOQCVESKTHMM-LBPRGKRZSA-N 2 0 315.408 2.791 20 0 DFADRP C[NH+](C)CCN1CCC([NH2+][C@H]2CCCc3ccccc3C2)CC1 ZINC000648416635 430778783 /nfs/dbraw/zinc/77/87/83/430778783.db2.gz RBMKEXYUGGCNCZ-FQEVSTJZSA-N 2 0 315.505 2.550 20 0 DFADRP C[NH+]1CCC(Oc2ccc(C[NH2+]C[C@@H](O)C(C)(C)C)cc2)CC1 ZINC000644641937 430779484 /nfs/dbraw/zinc/77/94/84/430779484.db2.gz AOSILJMFTCYLHO-GOSISDBHSA-N 2 0 320.477 2.656 20 0 DFADRP O[C@@H](C[NH2+]CCCCC[NH+]1CCCC1)Cc1ccc(F)cc1 ZINC000644654454 430780714 /nfs/dbraw/zinc/78/07/14/430780714.db2.gz NUKOQIKHZDOJNA-GOSISDBHSA-N 2 0 308.441 2.585 20 0 DFADRP C[C@@H]([NH2+][C@@H](C)CN(C)CCC[NH+](C)C)c1ccc(Cl)cn1 ZINC000658106589 430813783 /nfs/dbraw/zinc/81/37/83/430813783.db2.gz JBBCZEHDWDSIQJ-UONOGXRCSA-N 2 0 312.889 2.658 20 0 DFADRP C[C@@H](CN(C)CCC[NH+](C)C)[NH2+][C@@H](C)c1cc(F)cc(F)c1 ZINC000658110142 430814451 /nfs/dbraw/zinc/81/44/51/430814451.db2.gz VURXKUVTUUBLRU-KBPBESRZSA-N 2 0 313.436 2.887 20 0 DFADRP C[C@@H]([NH2+][C@@H](C)CN(C)CCC[NH+](C)C)c1ccc(F)c(F)c1 ZINC000658109150 430815501 /nfs/dbraw/zinc/81/55/01/430815501.db2.gz REICFBJXFYMTBS-UONOGXRCSA-N 2 0 313.436 2.887 20 0 DFADRP C[C@@H](CCC1CC1)[NH2+]Cc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1 ZINC000658135959 430821082 /nfs/dbraw/zinc/82/10/82/430821082.db2.gz FXTBNZGOGBGGMH-HNAYVOBHSA-N 2 0 302.462 2.922 20 0 DFADRP O[C@@H]1CC[N@H+](Cc2ccc(C[NH2+][C@H]3CCCSCC3)cc2)C1 ZINC000658136329 430821105 /nfs/dbraw/zinc/82/11/05/430821105.db2.gz HVCJOZWDBMQEPW-ZWKOTPCHSA-N 2 0 320.502 2.629 20 0 DFADRP O[C@H]1CC[N@H+](Cc2ccc(C[NH2+][C@@H]3CCCC34CC4)cc2)C1 ZINC000658139313 430822551 /nfs/dbraw/zinc/82/25/51/430822551.db2.gz QNARDTOKSQPNMJ-ZWKOTPCHSA-N 2 0 300.446 2.676 20 0 DFADRP CC(C)[C@@H]([NH2+]Cc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1)C1CC1 ZINC000658139901 430823462 /nfs/dbraw/zinc/82/34/62/430823462.db2.gz NZGSJBWPMHILRD-RBUKOAKNSA-N 2 0 302.462 2.777 20 0 DFADRP Cc1ccc(CC[NH2+]Cc2ccc(OCC[NH+](C)C)cc2)nc1 ZINC000651601347 430828707 /nfs/dbraw/zinc/82/87/07/430828707.db2.gz WQKJZJOKVBOLDU-UHFFFAOYSA-N 2 0 313.445 2.663 20 0 DFADRP Cc1cc(C[N@@H+](C)[C@@H]2CCN(C3CC[NH+](C)CC3)C2)cs1 ZINC000648586035 430830012 /nfs/dbraw/zinc/83/00/12/430830012.db2.gz WNMNVQVFNXWJFM-QGZVFWFLSA-N 2 0 307.507 2.657 20 0 DFADRP COc1cc(OC)c(C[NH+]2CCC(C[NH+](C)C)CC2)cc1F ZINC000651614508 430831199 /nfs/dbraw/zinc/83/11/99/430831199.db2.gz MFIYJUMXQSYADS-UHFFFAOYSA-N 2 0 310.413 2.617 20 0 DFADRP Cc1ncc([C@H](C)[NH2+]CC2CC[NH+](C3CCOCC3)CC2)s1 ZINC000658066960 430798104 /nfs/dbraw/zinc/79/81/04/430798104.db2.gz HULKEZKAXLICTC-ZDUSSCGKSA-N 2 0 323.506 2.993 20 0 DFADRP COC[C@H](CC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C)OC ZINC000658084300 430803646 /nfs/dbraw/zinc/80/36/46/430803646.db2.gz IGJKLHURCBXXIC-YTQUADARSA-N 2 0 320.477 2.538 20 0 DFADRP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+][C@H](CO)C2CCC2)CC1 ZINC000658087559 430805240 /nfs/dbraw/zinc/80/52/40/430805240.db2.gz UEDFHLVTZCXLLD-OXQOHEQNSA-N 2 0 316.489 2.833 20 0 DFADRP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+][C@H]2CCC[C@H](O)C2)CC1 ZINC000648496337 430806649 /nfs/dbraw/zinc/80/66/49/430806649.db2.gz MFEFVSYGCSVZHH-UXPWSPDFSA-N 2 0 316.489 2.975 20 0 DFADRP C[C@H]1CCCCC[C@@H]1[NH2+]Cc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000651673338 430845436 /nfs/dbraw/zinc/84/54/36/430845436.db2.gz FLNQUYFGXGXSGP-WMZOPIPTSA-N 2 0 316.493 2.892 20 0 DFADRP C[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+][C@H]2C[C@H](O)C23CCC3)CC1 ZINC000658252062 430853297 /nfs/dbraw/zinc/85/32/97/430853297.db2.gz IJDCJZVPJIKBFZ-UBDQQSCGSA-N 2 0 306.494 2.923 20 0 DFADRP CC[NH+]1CCC(C[NH2+]Cc2cc(F)c(OC)cc2OC)CC1 ZINC000651705193 430854459 /nfs/dbraw/zinc/85/44/59/430854459.db2.gz KXHMGTTXLDUELL-UHFFFAOYSA-N 2 0 310.413 2.664 20 0 DFADRP C[C@@H]1CCC[C@H]([NH+]2CCC([NH2+][C@H]3C[C@@H](O)C34CCC4)CC2)C1 ZINC000658257517 430855091 /nfs/dbraw/zinc/85/50/91/430855091.db2.gz YSXMZWPSGMBOCX-LAVFITLUSA-N 2 0 306.494 2.923 20 0 DFADRP Cn1ncc(C2CCC2)c1C[NH2+][C@H]1CC[N@H+](C)[C@@H]2CCC[C@H]21 ZINC000658266228 430856596 /nfs/dbraw/zinc/85/65/96/430856596.db2.gz GMSYVRJHVSRYRK-BHYGNILZSA-N 2 0 302.466 2.650 20 0 DFADRP C[N@H+](Cc1ccc(OCC[NH+]2CCCC2)cc1)CC(C)(C)CO ZINC000648690236 430858588 /nfs/dbraw/zinc/85/85/88/430858588.db2.gz TXEOVBCXKKRCSF-UHFFFAOYSA-N 2 0 320.477 2.612 20 0 DFADRP C[C@H]([NH2+]CC1CCC(O)CC1)c1cccc(OCC[NH+](C)C)c1 ZINC000658282649 430860192 /nfs/dbraw/zinc/86/01/92/430860192.db2.gz BTSVQMPICLRATP-HJOIGYKYSA-N 2 0 320.477 2.829 20 0 DFADRP c1cc2cc(C[NH2+][C@@H]3CCOC[C@@H]3[C@H]3CCC[NH2+]3)ccc2o1 ZINC000665238130 430863065 /nfs/dbraw/zinc/86/30/65/430863065.db2.gz RGOQDYQAJVXJNY-BRWVUGGUSA-N 2 0 300.402 2.680 20 0 DFADRP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]C[C@@H](OC1CCCC1)C(F)(F)F ZINC000665237613 430864015 /nfs/dbraw/zinc/86/40/15/430864015.db2.gz FNZGATWEIDKGTJ-IACUBPJLSA-N 2 0 308.388 2.984 20 0 DFADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]CC1CC[NH+](CC2CC2)CC1 ZINC000665299267 430889255 /nfs/dbraw/zinc/88/92/55/430889255.db2.gz JPWXNMGWPWWBNT-CQSZACIVSA-N 3 0 316.493 2.621 20 0 DFADRP [NH3+][C@@H]1CCCCC[C@H]1[NH2+]CC1CC[NH+](Cc2ccncc2)CC1 ZINC000665240635 430865536 /nfs/dbraw/zinc/86/55/36/430865536.db2.gz PMNUWMQYJVLLJB-RTBURBONSA-N 3 0 316.493 2.543 20 0 DFADRP FC(F)(F)[C@H](C[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1)OC1CCCC1 ZINC000665239653 430866937 /nfs/dbraw/zinc/86/69/37/430866937.db2.gz WMROAMURWLIICF-JLNYLFASSA-N 2 0 320.399 2.854 20 0 DFADRP CCC[NH+]1CCC(N[C@@H]2C[NH2+]CC[C@@H]2c2ccccc2)CC1 ZINC000665250022 430868703 /nfs/dbraw/zinc/86/87/03/430868703.db2.gz FSMKDWJEEZQSNS-RTBURBONSA-N 2 0 301.478 2.596 20 0 DFADRP C[C@@H]1CCC[C@H](C[NH2+][C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)O1 ZINC000665264851 430874893 /nfs/dbraw/zinc/87/48/93/430874893.db2.gz JLEWLQKAIMSIJD-LFEHRJTNSA-N 2 0 316.445 2.790 20 0 DFADRP C[C@H]([NH3+])[C@@H]1COCC[C@H]1[NH2+]Cc1ccc(Cl)c(Cl)c1 ZINC000665265294 430875109 /nfs/dbraw/zinc/87/51/09/430875109.db2.gz UPJPAVQXMNNIFP-NURSFMCSSA-N 2 0 303.233 2.835 20 0 DFADRP C[C@H](COc1c(F)cccc1F)[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000665261802 430875689 /nfs/dbraw/zinc/87/56/89/430875689.db2.gz LWOGXKIFJRHMIM-AAVRWANBSA-N 2 0 310.388 2.710 20 0 DFADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]CCCc2ccco2)[C@H](C)C1 ZINC000658327217 430877603 /nfs/dbraw/zinc/87/76/03/430877603.db2.gz NGVYKPIKEDHIFX-AEFFLSMTSA-N 2 0 308.466 2.939 20 0 DFADRP c1ccc(C[N@H+]2C[C@@H](CNC3CC[NH2+]CC3)C3(CCC3)C2)cc1 ZINC000665277068 430878035 /nfs/dbraw/zinc/87/80/35/430878035.db2.gz SAMAHILHUHSLHM-GOSISDBHSA-N 3 0 313.489 2.630 20 0 DFADRP CO[C@@]1(C)C[C@H]1[NH2+]C1CC[NH+]([C@H](C)Cc2ccccc2)CC1 ZINC000658332659 430878948 /nfs/dbraw/zinc/87/89/48/430878948.db2.gz QTEGFEMPVKGPMK-LZQZEXGQSA-N 2 0 302.462 2.849 20 0 DFADRP [NH3+][C@@H]1CCC[C@@H]1NC[C@@H]1C[N@H+](Cc2ccccc2)CC12CCC2 ZINC000665277240 430879562 /nfs/dbraw/zinc/87/95/62/430879562.db2.gz XERGCUJGLPMFGV-QRVBRYPASA-N 3 0 313.489 2.758 20 0 DFADRP C[C@H]([NH2+]C[C@H]1CCN1Cc1ccccc1)C1CC[NH+](C)CC1 ZINC000658349011 430882578 /nfs/dbraw/zinc/88/25/78/430882578.db2.gz QSAAZDHCQJFJER-QFBILLFUSA-N 2 0 301.478 2.581 20 0 DFADRP OCC1CC([NH2+][C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)C1 ZINC000658355727 430884714 /nfs/dbraw/zinc/88/47/14/430884714.db2.gz JGYNCLVJVAUWGX-KPZODNFCSA-N 2 0 314.473 2.648 20 0 DFADRP CC(C)C(=O)N1CCC([NH2+][C@@H](C)C[C@@H]2CCCCC[NH2+]2)CC1 ZINC000262298575 278670006 /nfs/dbraw/zinc/67/00/06/278670006.db2.gz OICCCLVAQOYVPE-RDJZCZTQSA-N 2 0 309.498 2.534 20 0 DFADRP Cc1ccc([C@H]([NH2+]Cc2nc(C[NH3+])cc(=O)[nH]2)C2CCC2)cc1 ZINC000665293019 430888688 /nfs/dbraw/zinc/88/86/88/430888688.db2.gz PEVAWQYTLVCWPR-GOSISDBHSA-N 2 0 312.417 2.580 20 0 DFADRP C(C1CC1)[NH+]1CCC(N[C@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC000658230346 430844652 /nfs/dbraw/zinc/84/46/52/430844652.db2.gz YMQMXWIZDBMLSH-SFHVURJKSA-N 2 0 305.510 2.857 20 0 DFADRP CO[C@@H]([C@H](C)[NH2+]Cc1ccc(OCC[NH+](C)C)cc1)C1CC1 ZINC000648797002 430896754 /nfs/dbraw/zinc/89/67/54/430896754.db2.gz CGVKBEOINOESOW-KSSFIOAISA-N 2 0 306.450 2.530 20 0 DFADRP C[C@H]1CC[N@H+](CC(=O)Nc2ccc3c(c2)CC[C@@H]3[NH+](C)C)C1 ZINC000655130786 430905973 /nfs/dbraw/zinc/90/59/73/430905973.db2.gz YOEJJDQNPAXOGX-GUYCJALGSA-N 2 0 301.434 2.516 20 0 DFADRP C[NH+](C)CCOc1ccc(C[NH2+]CC(C)(C)C(C)(C)O)cc1 ZINC000648832561 430906659 /nfs/dbraw/zinc/90/66/59/430906659.db2.gz BAXQIRWJQMODIJ-UHFFFAOYSA-N 2 0 308.466 2.514 20 0 DFADRP CC[N@H+](Cc1cn(-c2cc[nH+]cc2)nc1C)[C@H]1CCCOC1 ZINC000651948879 430923800 /nfs/dbraw/zinc/92/38/00/430923800.db2.gz YXPHKVVZJPOWER-KRWDZBQOSA-N 2 0 300.406 2.577 20 0 DFADRP CC[N@@H+]1CC[C@H]([NH2+][C@@H]2CCO[C@H](c3ccncc3)C2)[C@@H](C)C1 ZINC000651966329 430928897 /nfs/dbraw/zinc/92/88/97/430928897.db2.gz DMRMPWOWBMJOSC-RANZSIQMSA-N 2 0 303.450 2.622 20 0 DFADRP CCc1nccn1[C@H](C)CC(=O)NCc1cc(C)nc(C)c1 ZINC000648933178 430942186 /nfs/dbraw/zinc/94/21/86/430942186.db2.gz PTGBSXVHQZRMAH-CQSZACIVSA-N 2 0 300.406 2.725 20 0 DFADRP Cc1cc(C[NH3+])cc(NC(=O)NC[C@@H]2CC[N@@H+](C(C)(C)C)C2)c1 ZINC000659024273 430944807 /nfs/dbraw/zinc/94/48/07/430944807.db2.gz ZGKXWOTXQAFURB-AWEZNQCLSA-N 2 0 318.465 2.696 20 0 DFADRP O[C@H]1CC[N@@H+](C2CC[NH+](CC/C=C/c3ccccc3)CC2)C1 ZINC000662150305 430980583 /nfs/dbraw/zinc/98/05/83/430980583.db2.gz USILXXJXYCQFKP-AMGQUURNSA-N 2 0 300.446 2.621 20 0 DFADRP O[C@@H]1CC[N@@H+](C2CCN([C@H]3CCc4c3cccc4Cl)CC2)C1 ZINC000662154069 430981655 /nfs/dbraw/zinc/98/16/55/430981655.db2.gz WDEXUABVTTXNJO-KDOFPFPSSA-N 2 0 320.864 2.858 20 0 DFADRP O[C@@H]1CC[N@@H+](C2CCN(Cc3cccc(C(F)F)c3)CC2)C1 ZINC000662152324 430981861 /nfs/dbraw/zinc/98/18/61/430981861.db2.gz RPYGNZDBXDFDIG-MRXNPFEDSA-N 2 0 310.388 2.655 20 0 DFADRP C[NH+](C)CCOCC[NH2+][C@H](c1cccnc1)C1CCCCC1 ZINC000652193094 430983401 /nfs/dbraw/zinc/98/34/01/430983401.db2.gz VTUWIRKBYWOVIM-SFHVURJKSA-N 2 0 305.466 2.871 20 0 DFADRP CC(C)C[N@H+](C)CCC[NH2+][C@@H](C)c1cccc(-n2ccnn2)c1 ZINC000652222007 430992085 /nfs/dbraw/zinc/99/20/85/430992085.db2.gz CJZLAQNIRQGTCQ-INIZCTEOSA-N 2 0 315.465 2.896 20 0 DFADRP C[NH+]1CCC(N2CC[C@@H]([NH2+][C@H]3CCCC34CCCC4)C2)CC1 ZINC000645408942 430993963 /nfs/dbraw/zinc/99/39/63/430993963.db2.gz MDGBTQPZLZLJJK-AEFFLSMTSA-N 2 0 305.510 2.857 20 0 DFADRP CCC[C@@H](C)C(=O)NCC[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000645475269 431012006 /nfs/dbraw/zinc/01/20/06/431012006.db2.gz XJAZMNVTNLDYPH-MRXNPFEDSA-N 2 0 323.525 2.926 20 0 DFADRP C[NH+](C)CCOc1ccc(C[N@@H+]2CC[C@@]3(CC3(F)F)C2)cc1 ZINC000652062562 430951088 /nfs/dbraw/zinc/95/10/88/430951088.db2.gz OFCSBOLJCUVMCR-MRXNPFEDSA-N 2 0 310.388 2.858 20 0 DFADRP Cn1c(=O)ccc2c1CCC[C@@H]2[NH2+]C1CC[NH+](C(C)(C)C)CC1 ZINC000652074003 430954904 /nfs/dbraw/zinc/95/49/04/430954904.db2.gz XJTUWQKOFILBHL-INIZCTEOSA-N 2 0 317.477 2.615 20 0 DFADRP CC[NH+](CC)[C@@H](CNC(=O)[C@@H]1[NH2+]CCC1(C)C)c1ccccc1 ZINC000662391645 431069173 /nfs/dbraw/zinc/06/91/73/431069173.db2.gz DSXFRYDRIZMRJS-IRXDYDNUSA-N 2 0 317.477 2.574 20 0 DFADRP Cc1cc(C)n([C@H]2CCC[N@H+](Cc3cccc4c3CC[NH2+]C4)C2)n1 ZINC000662263201 431021318 /nfs/dbraw/zinc/02/13/18/431021318.db2.gz KXZZIYAVECJPIT-IBGZPJMESA-N 2 0 324.472 2.983 20 0 DFADRP COc1cccc(SCC[N@@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)c1 ZINC000662265188 431022080 /nfs/dbraw/zinc/02/20/80/431022080.db2.gz GIEXBMFOXASPQL-IAOVAPTHSA-N 2 0 306.475 2.847 20 0 DFADRP CO[C@@H](CN(Cc1ccccn1)[C@@H]1CCC[NH2+]CC1)C1CCC1 ZINC000662264841 431023060 /nfs/dbraw/zinc/02/30/60/431023060.db2.gz SPAAUSDKYOBMRF-MOPGFXCFSA-N 2 0 317.477 2.841 20 0 DFADRP COc1ccc(-c2cc(C[N@@H+]3C[C@@H]4CC[C@@H]([NH3+])[C@H]4C3)on2)cc1 ZINC000662267709 431023400 /nfs/dbraw/zinc/02/34/00/431023400.db2.gz YBIAWLKUALQFBC-RRQGHBQHSA-N 2 0 313.401 2.519 20 0 DFADRP CC[C@H]1CN2CCCC[C@@H]2C[N@@H+]1Cc1ccc2c(c1)C[NH2+]CC2 ZINC000652339450 431024895 /nfs/dbraw/zinc/02/48/95/431024895.db2.gz VZNWDYJMAONKDE-VQTJNVASSA-N 2 0 313.489 2.781 20 0 DFADRP COc1ccc(C2CC[NH+](CC[C@@H]3CCC[NH2+]C3)CC2)nc1 ZINC000652344603 431025321 /nfs/dbraw/zinc/02/53/21/431025321.db2.gz QNJXLJYLPBZTOM-HNNXBMFYSA-N 2 0 303.450 2.659 20 0 DFADRP COc1ccc(-c2cc(C[N@@H+]3C[C@@H]4CC[C@H]([NH3+])[C@@H]4C3)on2)cc1 ZINC000662267713 431025884 /nfs/dbraw/zinc/02/58/84/431025884.db2.gz YBIAWLKUALQFBC-XKQJLSEDSA-N 2 0 313.401 2.519 20 0 DFADRP C[NH2+]C[C@@](C)(O)C[N@H+]1Cc2ccccc2[C@H](c2ccccc2)C1 ZINC000652336862 431025891 /nfs/dbraw/zinc/02/58/91/431025891.db2.gz IJRLXBGAEFAUOY-VQTJNVASSA-N 2 0 310.441 2.605 20 0 DFADRP COc1ccc(-c2cc(C[N@@H+]3CC[C@@H]([C@H](C)[NH3+])C3)on2)cc1 ZINC000662267250 431026171 /nfs/dbraw/zinc/02/61/71/431026171.db2.gz TUTRMEXGTFXAOJ-GXTWGEPZSA-N 2 0 301.390 2.519 20 0 DFADRP c1cc2c(cc1C[N@@H+]1CCC[C@@H]([C@H]3CCC[NH2+]C3)C1)C[NH2+]CC2 ZINC000652340860 431026282 /nfs/dbraw/zinc/02/62/82/431026282.db2.gz JRSYSIYUVVZUIX-RBUKOAKNSA-N 3 0 313.489 2.544 20 0 DFADRP [NH3+]C[C@@H]1C[N@H+](CCSc2ccc(F)cc2)CC12CCOCC2 ZINC000662272048 431027506 /nfs/dbraw/zinc/02/75/06/431027506.db2.gz CACFJGAWJYEWFS-CQSZACIVSA-N 2 0 324.465 2.605 20 0 DFADRP Cc1cccc(C)c1NC(=O)[C@H](C)N1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000652351140 431027962 /nfs/dbraw/zinc/02/79/62/431027962.db2.gz IHPIPNDKKVDRKX-BXWFABGCSA-N 2 0 315.461 2.691 20 0 DFADRP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCC[N@H+](CCCCC(F)(F)F)C2)C1 ZINC000652350268 431028045 /nfs/dbraw/zinc/02/80/45/431028045.db2.gz OQZTUGMZHNMKLX-MGPQQGTHSA-N 2 0 308.388 2.937 20 0 DFADRP c1cc(C[NH+]2CCC([C@@H]3CCCO3)CC2)c2c(c1)C[NH2+]CC2 ZINC000662276735 431029369 /nfs/dbraw/zinc/02/93/69/431029369.db2.gz LUEZTGLPFBSWRE-IBGZPJMESA-N 2 0 300.446 2.723 20 0 DFADRP COc1ccc([C@@H](C[NH3+])C[N@@H+]2CCC[C@@H](OC(C)C)C2)cc1 ZINC000652353196 431030228 /nfs/dbraw/zinc/03/02/28/431030228.db2.gz OXNIYUXSERISFD-FUHWJXTLSA-N 2 0 306.450 2.627 20 0 DFADRP CC1(C)C[NH2+]CC[C@H]1[NH2+]CCc1ccc2c(c1)OC(F)(F)O2 ZINC000662276868 431030445 /nfs/dbraw/zinc/03/04/45/431030445.db2.gz MENVPCXPVLDABY-CQSZACIVSA-N 2 0 312.360 2.528 20 0 DFADRP COc1ccc(COCC[N@@H+]2CCC[C@@H](C)[C@H]2CC[NH3+])cc1 ZINC000652354829 431030509 /nfs/dbraw/zinc/03/05/09/431030509.db2.gz JMRIXBMAMBBRLN-CRAIPNDOSA-N 2 0 306.450 2.661 20 0 DFADRP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCC[N@@H+]2CCCCC2CCOCC2)C1 ZINC000652363536 431032687 /nfs/dbraw/zinc/03/26/87/431032687.db2.gz HEWXYDHXTYJBSZ-GUDVDZBRSA-N 2 0 324.509 2.944 20 0 DFADRP c1ccc(CCC[C@H]2CCC[N@@H+]2C[C@@H]2CCC3(C[NH2+]C3)O2)cc1 ZINC000662283565 431032851 /nfs/dbraw/zinc/03/28/51/431032851.db2.gz AONOQTKDXBDXPW-OALUTQOASA-N 2 0 314.473 2.995 20 0 DFADRP Cc1ccc(CC[N@@H+]2CCCC[C@@H]2[C@H]2C[C@H]([NH3+])CCO2)cc1 ZINC000652362860 431033054 /nfs/dbraw/zinc/03/30/54/431033054.db2.gz RKCBCEAYKUTCAX-GUDVDZBRSA-N 2 0 302.462 2.898 20 0 DFADRP CC[NH+](CC)Cc1cccc(CNC(=O)C[C@@H]([NH3+])C(C)C)c1 ZINC000645575945 431034446 /nfs/dbraw/zinc/03/44/46/431034446.db2.gz BKGOFLVMUBSAHO-QGZVFWFLSA-N 2 0 305.466 2.518 20 0 DFADRP C[C@@H](C(=O)NC1CCCCC1)[NH+]1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000662290638 431036435 /nfs/dbraw/zinc/03/64/35/431036435.db2.gz HDAQSOLDMPUCHD-DOTOQJQBSA-N 2 0 321.509 2.535 20 0 DFADRP CC(C)C[C@@H](C)N(C)C(=O)C[N@@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662297800 431037126 /nfs/dbraw/zinc/03/71/26/431037126.db2.gz RYJBCORMPWHXJW-SJLPKXTDSA-N 2 0 323.525 2.591 20 0 DFADRP C[C@@H](C(=O)Nc1ccccc1)[N@@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662295785 431037342 /nfs/dbraw/zinc/03/73/42/431037342.db2.gz UDSPATCBLKRBID-RDJZCZTQSA-N 2 0 315.461 2.725 20 0 DFADRP FC(F)(F)COCCC[NH+]1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000662295337 431037504 /nfs/dbraw/zinc/03/75/04/431037504.db2.gz ZCMMCLLQUQXCDK-CQSZACIVSA-N 2 0 308.388 2.667 20 0 DFADRP C[NH+](C)CCn1ccc2ccc(NC(=O)CCC(C)(C)[NH3+])cc21 ZINC000649339024 431069848 /nfs/dbraw/zinc/06/98/48/431069848.db2.gz ZSWKQMHSCSSFNG-UHFFFAOYSA-N 2 0 316.449 2.659 20 0 DFADRP C[C@H]([NH3+])c1ccc(C(=O)N2CCC[C@@H](C)[C@H]2CCC[NH3+])cc1 ZINC000659375139 431043245 /nfs/dbraw/zinc/04/32/45/431043245.db2.gz GBWGAZIMOZRLQH-JKIFEVAISA-N 2 0 303.450 2.686 20 0 DFADRP CC(C)C[C@@H](C)N(C)C(=O)C[N@@H+]1CCC[C@@H](C)[C@H]1CCC[NH3+] ZINC000662315748 431044010 /nfs/dbraw/zinc/04/40/10/431044010.db2.gz SQOXCBANQUQIFJ-BRWVUGGUSA-N 2 0 311.514 2.719 20 0 DFADRP C[C@@H]1CCC[N@H+](CC(=O)Nc2ccccc2F)[C@@H]1CCC[NH3+] ZINC000662313701 431044079 /nfs/dbraw/zinc/04/40/79/431044079.db2.gz XJHDZDWDVIWQAX-CZUORRHYSA-N 2 0 307.413 2.604 20 0 DFADRP C[C@@H]1CCC[C@@H](NC(=O)C[N@@H+]2CCC[C@@H](C)[C@H]2CCC[NH3+])[C@@H]1C ZINC000662313703 431044933 /nfs/dbraw/zinc/04/49/33/431044933.db2.gz XLRGHKPQPWXCKV-DUQPFJRNSA-N 2 0 323.525 2.767 20 0 DFADRP Cc1ccccc1OCCC[N@@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000662323868 431046903 /nfs/dbraw/zinc/04/69/03/431046903.db2.gz SLZAYXZZYSIGIF-GOSISDBHSA-N 2 0 320.477 2.807 20 0 DFADRP Cc1ccccc1CCC[N@@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000662319337 431047304 /nfs/dbraw/zinc/04/73/04/431047304.db2.gz HQTBLKFHRQKCDM-IBGZPJMESA-N 2 0 304.478 2.970 20 0 DFADRP c1cc2c(cc1C[N@H+]1C[C@]34COC[C@@]3(C1)CCCC4)C[NH2+]CC2 ZINC000662326875 431049186 /nfs/dbraw/zinc/04/91/86/431049186.db2.gz FYMDUGRYFWWMOY-BGYRXZFFSA-N 2 0 312.457 2.725 20 0 DFADRP C[C@@H]1CCCC[N@@H+]1CCCNC(=O)C[C@H]1[NH2+]Cc2ccccc21 ZINC000662352419 431055622 /nfs/dbraw/zinc/05/56/22/431055622.db2.gz VBRHFPCARVOMLH-CRAIPNDOSA-N 2 0 315.461 2.602 20 0 DFADRP CC1CC[NH+](Cc2ccc(NC(=O)[C@@H]3C[C@H]4C[C@H]4[NH2+]3)cc2)CC1 ZINC000649288456 431058050 /nfs/dbraw/zinc/05/80/50/431058050.db2.gz RTNJZSCRGNMWCP-NXHRZFHOSA-N 2 0 313.445 2.607 20 0 DFADRP CC(C)[N@H+](C)Cc1ccccc1CNC(=O)[C@H]1CCC[C@H]1C[NH3+] ZINC000649288741 431058401 /nfs/dbraw/zinc/05/84/01/431058401.db2.gz DCEUJDZYRDWUEZ-YJBOKZPZSA-N 2 0 317.477 2.518 20 0 DFADRP C[N@H+](CCN1CCC[C@@H]1[C@H]1CCC[NH+]1C)Cc1ccccc1 ZINC000649296963 431060896 /nfs/dbraw/zinc/06/08/96/431060896.db2.gz VIHGIIDKFIERQZ-RTBURBONSA-N 2 0 301.478 2.677 20 0 DFADRP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)CCC(C)(C)[NH3+])C1 ZINC000649311336 431063457 /nfs/dbraw/zinc/06/34/57/431063457.db2.gz IWMCCJDODVHXBF-CVEARBPZSA-N 2 0 309.498 2.617 20 0 DFADRP C[C@H]([NH3+])C1CC[NH+](CCc2ccc3c(c2)OC(F)(F)O3)CC1 ZINC000662246706 431012703 /nfs/dbraw/zinc/01/27/03/431012703.db2.gz QHYMADJFKZONAP-NSHDSACASA-N 2 0 312.360 2.610 20 0 DFADRP C[NH+](C)CC[C@H](NC(=O)C[C@H]1[NH2+]Cc2ccccc21)C(C)(C)C ZINC000659293675 431014103 /nfs/dbraw/zinc/01/41/03/431014103.db2.gz XKZIOXDBLYSFGM-SJORKVTESA-N 2 0 317.477 2.704 20 0 DFADRP Cc1ccc([C@@H]2CCC[N@@H+]2C[C@@H]2CCC3(C[NH2+]C3)O2)cc1C ZINC000662253832 431014574 /nfs/dbraw/zinc/01/45/74/431014574.db2.gz WZIZKQMHEJCNQF-ROUUACIJSA-N 2 0 300.446 2.961 20 0 DFADRP CC(C)C[C@@](C)(C[NH3+])NC(=O)c1ccc2c(c1)[C@H](C[NH3+])CCC2 ZINC000659289007 431014884 /nfs/dbraw/zinc/01/48/84/431014884.db2.gz BAUUBUUERQIROI-LPHOPBHVSA-N 2 0 317.477 2.559 20 0 DFADRP CC[N@H+](C[C@H]1CCC2(C[NH2+]C2)O1)[C@H](C)c1cccc(OC)c1 ZINC000662252136 431015380 /nfs/dbraw/zinc/01/53/80/431015380.db2.gz KJEXOBLPSDWTMM-RHSMWYFYSA-N 2 0 304.434 2.599 20 0 DFADRP Clc1ccccc1[C@@H]1CCC[N@@H+]1C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662250276 431015447 /nfs/dbraw/zinc/01/54/47/431015447.db2.gz CZCORYSBBLBCOD-BBRMVZONSA-N 2 0 306.837 2.998 20 0 DFADRP C[N@H+](CCc1cccc2ccccc21)C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662252943 431015645 /nfs/dbraw/zinc/01/56/45/431015645.db2.gz DUWKVTGQCSGBGK-SFHVURJKSA-N 2 0 310.441 2.835 20 0 DFADRP c1ccc(C[C@H]2COCC[N@@H+]2Cc2cccc3c2CC[NH2+]C3)cc1 ZINC000662251535 431016263 /nfs/dbraw/zinc/01/62/63/431016263.db2.gz GOHSVMMSWHZCSA-FQEVSTJZSA-N 2 0 322.452 2.776 20 0 DFADRP CCC[N@H+](C[C@H]1CCC2(C[NH2+]C2)O1)[C@H]1CCc2ccccc21 ZINC000662252260 431016501 /nfs/dbraw/zinc/01/65/01/431016501.db2.gz NFVSEMOGRPQWBL-AEFFLSMTSA-N 2 0 300.446 2.907 20 0 DFADRP c1ccc(CC[C@@H]2CCC[N@@H+]2C[C@@H]2CCC3(C[NH2+]C3)O2)cc1 ZINC000662251108 431017283 /nfs/dbraw/zinc/01/72/83/431017283.db2.gz YWUUMXVSCNPRPH-ROUUACIJSA-N 2 0 300.446 2.605 20 0 DFADRP C[N@H+](CCCOc1cccc(Cl)c1)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662252002 431017341 /nfs/dbraw/zinc/01/73/41/431017341.db2.gz HRCDNFCNAOUNPV-MRXNPFEDSA-N 2 0 324.852 2.562 20 0 DFADRP Cc1ccccc1[C@@H]1C[C@@H](C)[N@@H+](C[C@H]2CCC3(C[NH2+]C3)O2)C1 ZINC000662258043 431018846 /nfs/dbraw/zinc/01/88/46/431018846.db2.gz WHKYVLRIFQGJJM-BRWVUGGUSA-N 2 0 300.446 2.694 20 0 DFADRP C[C@@H]1CC[N@H+](C[C@H]2CCC3(C[NH2+]C3)O2)[C@H]1c1cccc(F)c1 ZINC000662256238 431019408 /nfs/dbraw/zinc/01/94/08/431019408.db2.gz HQQSCZHHDJIFFB-KBRIMQKVSA-N 2 0 304.409 2.730 20 0 DFADRP CCC[C@H](C(=O)N1CCC(C[NH+]2CCC(C)CC2)CC1)[NH+](C)C ZINC000367183549 278918284 /nfs/dbraw/zinc/91/82/84/278918284.db2.gz GRMMBJIZJAUOBO-GOSISDBHSA-N 2 0 323.525 2.687 20 0 DFADRP COCC[N@H+](C)CCC[NH2+][C@@H]1CCc2cccc(Cl)c2C1 ZINC000666082561 431109398 /nfs/dbraw/zinc/10/93/98/431109398.db2.gz ONNLJZBKPGWPOM-OAHLLOKOSA-N 2 0 310.869 2.755 20 0 DFADRP O[C@@H](C[NH2+][C@H]1CCc2cccc(Cl)c2C1)C[NH+]1CCCCC1 ZINC000666085004 431110848 /nfs/dbraw/zinc/11/08/48/431110848.db2.gz PYGWVCYVCBLECH-HOTGVXAUSA-N 2 0 322.880 2.634 20 0 DFADRP C[C@@H]1CC[C@H](Nc2c[nH+]ccc2N2CC[NH+](C)CC2)CS1 ZINC000655749645 431112184 /nfs/dbraw/zinc/11/21/84/431112184.db2.gz VZDSJDVZWGKKTH-KGLIPLIRSA-N 2 0 306.479 2.529 20 0 DFADRP CC(C)C[C@H](C[NH3+])CC(=O)Nc1nc(C2CC[NH2+]CC2)cs1 ZINC000662572420 431117662 /nfs/dbraw/zinc/11/76/62/431117662.db2.gz XNYKHVFWMGXCRR-LBPRGKRZSA-N 2 0 324.494 2.560 20 0 DFADRP C[C@@H]1CCC[C@](CNC(=O)c2cccc3c2C[NH2+]C3)([NH+](C)C)C1 ZINC000662400759 431072150 /nfs/dbraw/zinc/07/21/50/431072150.db2.gz FLRABBJVOTUSPB-KUHUBIRLSA-N 2 0 315.461 2.530 20 0 DFADRP CCC[N@H+](C)C[C@@H]1CCN(C(=O)[C@H]([NH3+])c2cccc(Cl)c2)C1 ZINC000649343946 431072470 /nfs/dbraw/zinc/07/24/70/431072470.db2.gz HSMWAZQETHCXEE-XJKSGUPXSA-N 2 0 323.868 2.530 20 0 DFADRP CC[NH+](CC)Cc1ccc(C(=O)NCc2ccc(C[NH3+])cc2)o1 ZINC000649371695 431078105 /nfs/dbraw/zinc/07/81/05/431078105.db2.gz LVAKQVCXQWVZJP-UHFFFAOYSA-N 2 0 315.417 2.510 20 0 DFADRP CC(C)[NH2+]CC(=O)NCC1([NH2+][C@H](C)c2ccccc2)CCCC1 ZINC000662450524 431083238 /nfs/dbraw/zinc/08/32/38/431083238.db2.gz BEPTWQVPIJQRLG-MRXNPFEDSA-N 2 0 317.477 2.764 20 0 DFADRP C[N@@H+]1CCC[C@H](N2CC[NH+](C[C@H]3CCCCC3(F)F)CC2)C1 ZINC000649382210 431083983 /nfs/dbraw/zinc/08/39/83/431083983.db2.gz WMWZOVHWOVQTIA-CVEARBPZSA-N 2 0 315.452 2.524 20 0 DFADRP C[C@@H]1C[C@H](N(C)C[C@@H]2CC[NH2+]C2)CC[N@@H+]1Cc1ccccc1 ZINC000649413518 431094296 /nfs/dbraw/zinc/09/42/96/431094296.db2.gz CIBAFYHYFJLNCP-BHIYHBOVSA-N 2 0 301.478 2.581 20 0 DFADRP Cc1cccc(NC[C@H]2CC[N@H+](CCCC3CC[NH2+]CC3)C2)n1 ZINC000649414496 431095719 /nfs/dbraw/zinc/09/57/19/431095719.db2.gz CDGDNJCCLOXTAI-GOSISDBHSA-N 2 0 316.493 2.904 20 0 DFADRP CCN(C(=O)C[NH2+]C(C)C)[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000662503818 431099579 /nfs/dbraw/zinc/09/95/79/431099579.db2.gz XWWBWKUZLATXOL-AEFFLSMTSA-N 2 0 317.477 2.668 20 0 DFADRP CC[C@H](NC1CC[NH+](C[C@H]2CCCO2)CC1)c1nccs1 ZINC000655725910 431100759 /nfs/dbraw/zinc/10/07/59/431100759.db2.gz NLQLDVSNJABIEM-CABCVRRESA-N 2 0 309.479 2.827 20 0 DFADRP C[C@@H]1C[NH+](CCCC[NH2+][C@@H]2CC[C@@H](C)SC2)C[C@@H](C)O1 ZINC000655729139 431104249 /nfs/dbraw/zinc/10/42/49/431104249.db2.gz GQQVRQYPRCYLFF-KLHDSHLOSA-N 2 0 300.512 2.750 20 0 DFADRP CC(C)N1CCCC[C@H]1C[N@H+](C)C[C@H]1CCc2nccn2C1 ZINC000649460671 431107445 /nfs/dbraw/zinc/10/74/45/431107445.db2.gz KBLODHVTGIUNID-SJORKVTESA-N 2 0 304.482 2.640 20 0 DFADRP C[C@H](C(=O)NC[C@H]1CC[N@@H+](C(C)(C)C)C1)[C@H]([NH3+])c1ccccc1 ZINC000662594081 431128997 /nfs/dbraw/zinc/12/89/97/431128997.db2.gz RJIMPXPNYQARDD-UXLLHSPISA-N 2 0 317.477 2.559 20 0 DFADRP CC[N@H+](C)[C@H](C(=O)N1CCC[C@H]([NH+](C)C)CC1)c1ccccc1 ZINC000277157657 279044521 /nfs/dbraw/zinc/04/45/21/279044521.db2.gz IZDBBMHKQHMCGI-ROUUACIJSA-N 2 0 317.477 2.622 20 0 DFADRP CC[N@H+](CCCNC(=O)CC1CC[NH+](C)CC1)C1CCCCC1 ZINC000652756483 431128242 /nfs/dbraw/zinc/12/82/42/431128242.db2.gz INJNXAZJAXKDIN-UHFFFAOYSA-N 2 0 323.525 2.879 20 0 DFADRP FC1(F)C[C@H]1OCC[NH+]1CCC(C[NH+]2CCCCCC2)CC1 ZINC000659837164 431134176 /nfs/dbraw/zinc/13/41/76/431134176.db2.gz DCFZZMGVHQLVPO-MRXNPFEDSA-N 2 0 316.436 2.999 20 0 DFADRP CC[NH+](CC)Cc1ccccc1C[NH2+][C@H]1CCN(C(C)C)C1=O ZINC000177415646 279139050 /nfs/dbraw/zinc/13/90/50/279139050.db2.gz JQEITVFBRHHLGZ-SFHVURJKSA-N 2 0 317.477 2.627 20 0 DFADRP CC[NH+](CC)[C@@H](CNC(=O)[C@H]1CCC[NH2+]1)c1ccccc1Cl ZINC000236835295 279147396 /nfs/dbraw/zinc/14/73/96/279147396.db2.gz GROHNKHBPXCJBV-CVEARBPZSA-N 2 0 323.868 2.591 20 0 DFADRP CC(C)(C)[N@@H+]1CC[C@H](NC(=O)C(C)(C)[C@H]([NH3+])c2ccccc2)C1 ZINC000662622168 431137465 /nfs/dbraw/zinc/13/74/65/431137465.db2.gz PULMNXGDRJAWLY-JKSUJKDBSA-N 2 0 317.477 2.702 20 0 DFADRP CC[N@H+](CCC1CC[NH+](C[C@]2(C)CC[NH2+]C2)CC1)CC1CC1 ZINC000261978950 279177088 /nfs/dbraw/zinc/17/70/88/279177088.db2.gz IYSYZYGJMVMSID-LJQANCHMSA-N 3 0 307.526 2.820 20 0 DFADRP CC[N@H+](CCNC1CC[NH+](CCC(F)(F)F)CC1)C(C)C ZINC000358656437 279205366 /nfs/dbraw/zinc/20/53/66/279205366.db2.gz AZNZWXXCHCDUPS-UHFFFAOYSA-N 2 0 309.420 2.723 20 0 DFADRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+][C@H]1CCc2c1c(F)ccc2F ZINC000274569100 279264034 /nfs/dbraw/zinc/26/40/34/279264034.db2.gz AQCRERRLMWVELP-DYVFJYSZSA-N 2 0 323.431 2.568 20 0 DFADRP CC[N@@H+]1CCCC[C@@H]1C(=O)NCCCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000245886380 279266858 /nfs/dbraw/zinc/26/68/58/279266858.db2.gz CXUBIUBGQFROIJ-OKZBNKHCSA-N 2 0 323.525 2.735 20 0 DFADRP CC[NH+]1CCN([C@H](C)C[NH2+][C@H]2CCCOc3ccccc32)CC1 ZINC000155684474 279370030 /nfs/dbraw/zinc/37/00/30/279370030.db2.gz XDNUUMUOTLRGAN-AEFFLSMTSA-N 2 0 317.477 2.516 20 0 DFADRP CC[NH+]1CCN([C@H](C)C[NH2+][C@@H]2CCCOc3ccccc32)CC1 ZINC000155684245 279370472 /nfs/dbraw/zinc/37/04/72/279370472.db2.gz XDNUUMUOTLRGAN-SJLPKXTDSA-N 2 0 317.477 2.516 20 0 DFADRP CCn1c(C)cc2c1CCC[C@@H]2[NH2+]Cc1cnc(N(C)C)n1C ZINC000666245542 431162498 /nfs/dbraw/zinc/16/24/98/431162498.db2.gz ZGNLSZFWVHLYOW-INIZCTEOSA-N 2 0 315.465 2.783 20 0 DFADRP C[C@@H]1C[C@@H](C)C[NH+](CCN2CCC[C@H]2C[NH+]2CCCCC2)C1 ZINC000659873229 431164118 /nfs/dbraw/zinc/16/41/18/431164118.db2.gz MHYONMRQTFBFNU-QRVBRYPASA-N 2 0 307.526 2.915 20 0 DFADRP C[C@H]1C[C@H](C)C[NH+](C(C)(C)CNC(=O)C2([NH2+]C3CC3)CCC2)C1 ZINC000662695308 431164693 /nfs/dbraw/zinc/16/46/93/431164693.db2.gz JMQWDJOTMJHOBS-GJZGRUSLSA-N 2 0 321.509 2.534 20 0 DFADRP C[C@@H]1C[C@H](C)C[N@@H+](CCN2CCC[C@H]2C[NH+]2CCCCC2)C1 ZINC000659873227 431166187 /nfs/dbraw/zinc/16/61/87/431166187.db2.gz MHYONMRQTFBFNU-OTWHNJEPSA-N 2 0 307.526 2.915 20 0 DFADRP [NH3+]C1(CC(=O)NCc2ccccc2C[NH+]2CCCCCC2)CC1 ZINC000662699849 431167134 /nfs/dbraw/zinc/16/71/34/431167134.db2.gz DOUUGDPGTVYOBQ-UHFFFAOYSA-N 2 0 315.461 2.560 20 0 DFADRP CCc1nocc1C[N@@H+]1CC[C@@H](CNc2cc(C)cc[nH+]2)C1 ZINC000646071211 431169075 /nfs/dbraw/zinc/16/90/75/431169075.db2.gz NBIRUWSUSDNMQF-AWEZNQCLSA-N 2 0 300.406 2.874 20 0 DFADRP COCCCOc1cccc(C[NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)c1 ZINC000655826523 431170693 /nfs/dbraw/zinc/17/06/93/431170693.db2.gz HAEVKLDWDRQONI-CALCHBBNSA-N 2 0 306.450 2.532 20 0 DFADRP CCOc1c(OC)cc(C[NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)cc1OC ZINC000655825989 431171097 /nfs/dbraw/zinc/17/10/97/431171097.db2.gz AWRRBHFXZDBXCM-OTVXOJSOSA-N 2 0 322.449 2.532 20 0 DFADRP Cn1cc(C[NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)c(-c2cccs2)n1 ZINC000655827595 431174273 /nfs/dbraw/zinc/17/42/73/431174273.db2.gz UNSLSZPXTIFJCI-XBXGTLAGSA-N 2 0 304.463 2.578 20 0 DFADRP Cc1cncc(CC[NH2+][C@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)n1 ZINC000649583681 431175606 /nfs/dbraw/zinc/17/56/06/431175606.db2.gz WAZDFJOYVOEUMC-CVEARBPZSA-N 2 0 302.466 2.570 20 0 DFADRP Cc1cncc(CC[NH2+][C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)n1 ZINC000649583683 431176157 /nfs/dbraw/zinc/17/61/57/431176157.db2.gz WAZDFJOYVOEUMC-HZPDHXFCSA-N 2 0 302.466 2.570 20 0 DFADRP Cc1cc(C[NH+](C)C)cc(NC(=O)C2([NH3+])CC3(CCC3)C2)c1 ZINC000662792964 431195069 /nfs/dbraw/zinc/19/50/69/431195069.db2.gz DCDAOBUYNJOLNJ-UHFFFAOYSA-N 2 0 301.434 2.657 20 0 DFADRP C[C@@H]1CC[C@H](C)[N@H+]1[C@H]1CCCN(C(=O)C2([NH2+]C3CC3)CCC2)C1 ZINC000662787756 431195989 /nfs/dbraw/zinc/19/59/89/431195989.db2.gz FEDUDCWHWWKHCM-UXLLHSPISA-N 2 0 319.493 2.525 20 0 DFADRP C[C@H]1CCN(C[C@@H]2CCC[N@@H+]2C)CC[NH+]1Cc1ccccc1 ZINC000649545748 431152517 /nfs/dbraw/zinc/15/25/17/431152517.db2.gz QPADWRSTWFARMZ-HKUYNNGSSA-N 2 0 301.478 2.677 20 0 DFADRP CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C[C@H]1CCC[NH+]1C ZINC000649545434 431152631 /nfs/dbraw/zinc/15/26/31/431152631.db2.gz FAEJTDZOVCYNBO-RTBURBONSA-N 2 0 301.478 2.535 20 0 DFADRP COc1cc2c(cc1OC)[C@@H]([NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1)CC2 ZINC000655803852 431153933 /nfs/dbraw/zinc/15/39/33/431153933.db2.gz FIMSUGXTSZZHED-BJJXKVORSA-N 2 0 304.434 2.621 20 0 DFADRP CC[NH+](CC)CCCNC(=O)c1ccc2c(c1)[C@H](C[NH3+])CCC2 ZINC000662658448 431154082 /nfs/dbraw/zinc/15/40/82/431154082.db2.gz FTCDVZPHDOKEJQ-KRWDZBQOSA-N 2 0 317.477 2.527 20 0 DFADRP Cc1cccc(NC(=O)C[C@@H](C)[NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)c1C ZINC000655805332 431156656 /nfs/dbraw/zinc/15/66/56/431156656.db2.gz GBJZQHUQBFQBQF-OIISXLGYSA-N 2 0 317.477 2.950 20 0 DFADRP C[C@H]1C[C@H]([NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)CN1Cc1ccccc1 ZINC000655805315 431156712 /nfs/dbraw/zinc/15/67/12/431156712.db2.gz FWDZOCQEYAHQSV-DSLXNQLJSA-N 2 0 301.478 2.579 20 0 DFADRP C[C@@H]([NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1)c1cccc(N2CCOCC2)c1 ZINC000655806197 431156862 /nfs/dbraw/zinc/15/68/62/431156862.db2.gz QYMMYURBFRJKKB-MDZRGWNJSA-N 2 0 317.477 2.514 20 0 DFADRP C[C@H]1C[C@@H]([NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)CCN1Cc1ccccc1 ZINC000655806706 431157260 /nfs/dbraw/zinc/15/72/60/431157260.db2.gz ZPUNRVBIVRZPCK-FRYIKTPZSA-N 2 0 315.505 2.969 20 0 DFADRP C[C@H]1C[C@H](N(C)C(=O)CCCC[NH3+])CC[N@@H+]1Cc1ccccc1 ZINC000646046040 431159459 /nfs/dbraw/zinc/15/94/59/431159459.db2.gz AKZZPWPNDGQBTM-FUHWJXTLSA-N 2 0 317.477 2.627 20 0 DFADRP C[C@@H]1C[C@H](C)C[N@@H+](CCN2CC[C@@H](C[NH+]3CCCCC3)C2)C1 ZINC000659957491 431208545 /nfs/dbraw/zinc/20/85/45/431208545.db2.gz TZWUHMNHXZMRPI-OTWHNJEPSA-N 2 0 307.526 2.772 20 0 DFADRP [NH3+][C@H](CCC(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12)c1ccccc1 ZINC000662839008 431213457 /nfs/dbraw/zinc/21/34/57/431213457.db2.gz OJLLCCNOXGWLJZ-KURKYZTESA-N 2 0 315.461 2.600 20 0 DFADRP CC(C)[N@@H+]1[C@@H]2CC[C@H]1CN(CC[NH+]1C[C@@H](C)C[C@H](C)C1)CC2 ZINC000659975188 431216068 /nfs/dbraw/zinc/21/60/68/431216068.db2.gz VNDUEIHLYFENAM-OKYOBFRVSA-N 2 0 307.526 2.911 20 0 DFADRP CN(CC[NH+]1CCCCC1)C(=O)C[C@@H](c1ccccc1)[NH+](C)C ZINC000652992008 431218588 /nfs/dbraw/zinc/21/85/88/431218588.db2.gz ZWZNJFSRLAPLLE-SFHVURJKSA-N 2 0 317.477 2.624 20 0 DFADRP CC[NH+](CC)CCO[C@@H]1CC[N@H+](C[C@@H](OC)C2CCCC2)C1 ZINC000659979500 431219268 /nfs/dbraw/zinc/21/92/68/431219268.db2.gz MJWYYNFIWVRMGR-QZTJIDSGSA-N 2 0 312.498 2.624 20 0 DFADRP Cc1ccc(C[N@@H+]2CC3(CC[NH2+]CC3)[C@@H]3COC[C@@H]32)c(Cl)c1 ZINC000655939488 431226810 /nfs/dbraw/zinc/22/68/10/431226810.db2.gz IGBAIHKGFJLXNB-WBVHZDCISA-N 2 0 320.864 2.849 20 0 DFADRP Cc1ccc(C[N@@H+]2CCC[C@@H](n3cc(C[NH3+])nn3)C2)c(Cl)c1 ZINC000655940288 431227698 /nfs/dbraw/zinc/22/76/98/431227698.db2.gz QHQIYXPOUPHQCY-OAHLLOKOSA-N 2 0 319.840 2.536 20 0 DFADRP CC[C@@H]([NH2+]Cc1ccc(OCC[NH+](C)C)cc1)[C@@H](O)C(C)C ZINC000666446716 431234567 /nfs/dbraw/zinc/23/45/67/431234567.db2.gz JNKLACXSVUVFRR-MSOLQXFVSA-N 2 0 308.466 2.512 20 0 DFADRP C[N@@H+]1CCC[C@@]2(CC[NH+](C[C@H]3CCOc4ccccc43)C2)C1 ZINC000646243266 431235223 /nfs/dbraw/zinc/23/52/23/431235223.db2.gz SDEBCTFGYNIXIW-VQIMIIECSA-N 2 0 300.446 2.970 20 0 DFADRP C[NH+](C)[C@H]1C[C@@H](C[NH2+]CCC(=O)Nc2cccc(Cl)c2)C1 ZINC000656153460 431286951 /nfs/dbraw/zinc/28/69/51/431286951.db2.gz SJDQHEQEBIERNH-JNSHFYNHSA-N 2 0 309.841 2.598 20 0 DFADRP CC(C)[NH+]1CCN(C2CC[NH+](C[C@@H]3C[C@H]4C[C@H]4C3)CC2)CC1 ZINC000660149714 431289689 /nfs/dbraw/zinc/28/96/89/431289689.db2.gz FINHPGHHMKWMNL-BCDXTJNWSA-N 2 0 305.510 2.523 20 0 DFADRP CC(C)[N@H+](C)C[C@H](O)CN1[C@@H](C)Cc2cc(F)ccc2[C@@H]1C ZINC000660165182 431299115 /nfs/dbraw/zinc/29/91/15/431299115.db2.gz UQYRHLSKWYQDTD-ZQIUZPCESA-N 2 0 308.441 2.834 20 0 DFADRP CC[N@H+](CCCNC(=O)c1ccc(C[NH3+])cc1)C1CCCCC1 ZINC000653200458 431306594 /nfs/dbraw/zinc/30/65/94/431306594.db2.gz FNBRMLABOJTFGE-UHFFFAOYSA-N 2 0 317.477 2.920 20 0 DFADRP C[NH2+]Cc1ccccc1CNC(=O)CC[C@H]([NH3+])c1ccccc1 ZINC000653211209 431312831 /nfs/dbraw/zinc/31/28/31/431312831.db2.gz QJCACMDFBVHDAF-SFHVURJKSA-N 2 0 311.429 2.502 20 0 DFADRP CC[NH+](CC)[C@H](CNC(=O)[C@@H]1CCC[NH2+]CC1)c1ccsc1 ZINC000653110062 431270412 /nfs/dbraw/zinc/27/04/12/431270412.db2.gz WSAPOBSQAVQRON-GDBMZVCRSA-N 2 0 323.506 2.637 20 0 DFADRP C[C@H]([NH2+]C(C)(C)CNC(=O)[C@H]1CCC[NH2+]CC1)c1ccccc1 ZINC000653117916 431270786 /nfs/dbraw/zinc/27/07/86/431270786.db2.gz ZHDVZBHLIVDAFU-RDJZCZTQSA-N 2 0 317.477 2.622 20 0 DFADRP CC[NH+](CC)Cc1ccc(C(=O)NC[C@@H]([NH3+])c2ccccc2)o1 ZINC000646697485 431370112 /nfs/dbraw/zinc/37/01/12/431370112.db2.gz NFJCEDPCEWGWEH-MRXNPFEDSA-N 2 0 315.417 2.551 20 0 DFADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]C[C@H](OC)C2CCC2)[C@H](C)C1 ZINC000660307293 431370294 /nfs/dbraw/zinc/37/02/94/431370294.db2.gz WASRMCIIHJCQDQ-NJAFHUGGSA-N 2 0 312.498 2.528 20 0 DFADRP [NH3+]CCC1CCN(C(=O)CC[C@@H]([NH3+])CC2CCCCC2)CC1 ZINC000653256256 431336829 /nfs/dbraw/zinc/33/68/29/431336829.db2.gz COOIXCBWBIAWBW-QGZVFWFLSA-N 2 0 309.498 2.652 20 0 DFADRP C[C@@H]([NH3+])[C@@H](C)C(=O)Nc1ccc(SCC[NH+]2CCCC2)cc1 ZINC000653253061 431337199 /nfs/dbraw/zinc/33/71/99/431337199.db2.gz FQAQFKRJILMRHL-ZIAGYGMSSA-N 2 0 321.490 2.796 20 0 DFADRP Cc1cc(CN[C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)nc(C)n1 ZINC000660256670 431345100 /nfs/dbraw/zinc/34/51/00/431345100.db2.gz MVOUNKFZABBYFC-GDBMZVCRSA-N 2 0 302.466 2.836 20 0 DFADRP [NH3+]Cc1cccc(NC(=O)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)c1 ZINC000646578856 431345103 /nfs/dbraw/zinc/34/51/03/431345103.db2.gz HJEFSUBXCWAYLL-GOSISDBHSA-N 2 0 323.440 2.996 20 0 DFADRP c1cc(N2CCC([NH2+][C@@H](C3CC3)[C@H]3CCCCO3)CC2)cc[nH+]1 ZINC000656267884 431345928 /nfs/dbraw/zinc/34/59/28/431345928.db2.gz MESKBXFWFLPZHE-MOPGFXCFSA-N 2 0 315.461 2.988 20 0 DFADRP C[C@@H]1C[C@H]([NH3+])CCN1Cc1cnn(Cc2ccccc2Cl)c1 ZINC000653279481 431349708 /nfs/dbraw/zinc/34/97/08/431349708.db2.gz HAWUBHVPHRRRDA-CZUORRHYSA-N 2 0 318.852 2.896 20 0 DFADRP Fc1ccc(CC[NH+]2CCC(NC[C@H]3CCCC[NH2+]3)CC2)cc1 ZINC000666770266 431351591 /nfs/dbraw/zinc/35/15/91/431351591.db2.gz QNSFIWPYYQBFRS-LJQANCHMSA-N 2 0 319.468 2.564 20 0 DFADRP C[C@H]([NH2+]Cc1ccc(Oc2cnccn2)cc1)[C@H]1CCC[NH2+]C1 ZINC000666774247 431352780 /nfs/dbraw/zinc/35/27/80/431352780.db2.gz WCENIAGJUWOQHQ-HOCLYGCPSA-N 2 0 312.417 2.747 20 0 DFADRP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+]CC1(O)CCC(C)CC1 ZINC000663342865 431372471 /nfs/dbraw/zinc/37/24/71/431372471.db2.gz RIWIEFVSAHRDBH-UHFFFAOYSA-N 2 0 314.433 2.607 20 0 DFADRP c1cc2c(cccc2C[N@@H+]2CCC[C@@H](N3CCOCC3)CC2)[nH]1 ZINC000656281404 431357655 /nfs/dbraw/zinc/35/76/55/431357655.db2.gz VZKYIBMPOANLIR-QGZVFWFLSA-N 2 0 313.445 2.855 20 0 DFADRP COc1ccc2c(c1)OCC[C@H]2NC1CC[NH+](C2CC2)CC1 ZINC000656503302 431413964 /nfs/dbraw/zinc/41/39/64/431413964.db2.gz WEAKRXIACQLRSQ-QGZVFWFLSA-N 2 0 302.418 2.735 20 0 DFADRP Fc1cccc(N2CCCC2)c1C[NH2+][C@@H]1CC12CC[NH2+]CC2 ZINC000666950993 431419666 /nfs/dbraw/zinc/41/96/66/431419666.db2.gz VSBGWEPLXUCCON-QGZVFWFLSA-N 2 0 303.425 2.658 20 0 DFADRP c1cnc(Oc2ccc(C[NH2+][C@@H]3CC34CC[NH2+]CC4)cc2)cn1 ZINC000666951991 431422229 /nfs/dbraw/zinc/42/22/29/431422229.db2.gz BBZWVVYTLKBRBH-MRXNPFEDSA-N 2 0 310.401 2.501 20 0 DFADRP Cc1ccc(NC(=O)C[C@H](C)[NH2+][C@H]2CC23CC[NH2+]CC3)c(C)c1 ZINC000666954271 431422846 /nfs/dbraw/zinc/42/28/46/431422846.db2.gz SUGGJLIDAUXMDV-RDJZCZTQSA-N 2 0 315.461 2.752 20 0 DFADRP [NH3+][C@@H]1CCC[C@@H]([NH2+]Cc2cnn(Cc3ccccc3Cl)c2)C1 ZINC000666852284 431385011 /nfs/dbraw/zinc/38/50/11/431385011.db2.gz ZBNXIEOEIPIHNK-HZPDHXFCSA-N 2 0 318.852 2.944 20 0 DFADRP CC(CC[NH+]1CCCOC[C@H]1C)CC[N@@H+]1CCCOC[C@H]1C ZINC000663362064 431385887 /nfs/dbraw/zinc/38/58/87/431385887.db2.gz VBBREHWQGDEFEO-QZTJIDSGSA-N 2 0 312.498 2.624 20 0 DFADRP CC[C@@H](Cc1ccc(OC)c(OC)c1)[NH2+][C@H]1CCC[NH2+]CC1 ZINC000666858148 431387010 /nfs/dbraw/zinc/38/70/10/431387010.db2.gz ZZVUCEFEXGNPGF-HOTGVXAUSA-N 2 0 306.450 2.757 20 0 DFADRP C[C@@H](c1ccccc1)[C@@H](O)C[NH2+]CC1CC[NH+](CC2CC2)CC1 ZINC000663374821 431393311 /nfs/dbraw/zinc/39/33/11/431393311.db2.gz OSBIRXJYOSHWNJ-JXFKEZNVSA-N 2 0 316.489 2.863 20 0 DFADRP CCCN(C(=O)c1ccc(C[NH+](CC)CC)o1)C1CC[NH2+]CC1 ZINC000646863084 431405142 /nfs/dbraw/zinc/40/51/42/431405142.db2.gz FVXAVXISXKQTGP-UHFFFAOYSA-N 2 0 321.465 2.726 20 0 DFADRP C[C@@H]1C[NH2+]CC[C@@H]1CN1CC[NH2+]C[C@@H]1c1ccccc1Cl ZINC000663495248 431442398 /nfs/dbraw/zinc/44/23/98/431442398.db2.gz WIEIYBDPNLAMBV-CKEIUWERSA-N 2 0 307.869 2.532 20 0 DFADRP COc1ccc(C[NH2+]CC[C@@H]([NH3+])C(C)C)cc1OC(F)F ZINC000663497441 431442451 /nfs/dbraw/zinc/44/24/51/431442451.db2.gz ACWQDEPPBDZSRZ-GFCCVEGCSA-N 2 0 302.365 2.760 20 0 DFADRP C[C@@H]1C[NH2+]CC[C@H]1C[NH2+][C@H]1CC(C)(C)Oc2ccc(N)cc21 ZINC000663499409 431445344 /nfs/dbraw/zinc/44/53/44/431445344.db2.gz VVMMROPVZBPMNU-WWGRRREGSA-N 2 0 303.450 2.706 20 0 DFADRP C[NH2+]CCCC(=O)N1CCC([NH2+]C[C@@H]2CCCC(C)(C)C2)CC1 ZINC000663504378 431449635 /nfs/dbraw/zinc/44/96/35/431449635.db2.gz UUAABIBEGNGTBX-MRXNPFEDSA-N 2 0 323.525 2.783 20 0 DFADRP CC[N@H+](C)C[C@@H](O)CN[C@H](CC(C)C)c1ccccc1OC ZINC000653606901 431455702 /nfs/dbraw/zinc/45/57/02/431455702.db2.gz KIDXYVKDVMSXID-DOTOQJQBSA-N 2 0 308.466 2.685 20 0 DFADRP CC(C)[C@@H](CCc1ccccc1)[NH2+]CCCN1CC[NH+](C)CC1 ZINC000162555292 279832378 /nfs/dbraw/zinc/83/23/78/279832378.db2.gz MAIIRMWQVKMIBS-HXUWFJFHSA-N 2 0 317.521 2.871 20 0 DFADRP CC(C)[C@H](C)[NH+]1CCN([C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000660536215 431479432 /nfs/dbraw/zinc/47/94/32/431479432.db2.gz FNDRTWTWPVGMIF-AZUAARDMSA-N 2 0 315.505 2.923 20 0 DFADRP CCC[N@H+](CC)Cc1ccc(C(=O)N[C@@H]2CCC[NH2+]CC2)cc1 ZINC000646987163 431435350 /nfs/dbraw/zinc/43/53/50/431435350.db2.gz IGBWHAABUODAMW-GOSISDBHSA-N 2 0 317.477 2.790 20 0 DFADRP CCn1nccc1C[NH2+][C@H](C)c1cccc(OCC[NH+](C)C)c1 ZINC000663467994 431436176 /nfs/dbraw/zinc/43/61/76/431436176.db2.gz QXYWVPKEMJHEGP-OAHLLOKOSA-N 2 0 316.449 2.694 20 0 DFADRP COCC[NH2+]C1CCN(c2cc[nH+]c3cc(F)ccc32)CC1 ZINC000650294277 431517171 /nfs/dbraw/zinc/51/71/71/431517171.db2.gz CAVZXKUGNFXKDK-UHFFFAOYSA-N 2 0 303.381 2.579 20 0 DFADRP CCc1nn(C)c(CC)c1C[N@@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000656783796 431519336 /nfs/dbraw/zinc/51/93/36/431519336.db2.gz UMGIXEXJCXQAHY-INIZCTEOSA-N 2 0 318.509 2.757 20 0 DFADRP CC(C)(C)n1cc(C[N@@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)cn1 ZINC000656785541 431521757 /nfs/dbraw/zinc/52/17/57/431521757.db2.gz LSQRHIVFMGNCHY-QGZVFWFLSA-N 2 0 304.482 2.850 20 0 DFADRP COc1cc(C)nc(C[NH+]2CCC([C@@H]3CCC[NH2+]C3)CC2)c1 ZINC000656784864 431521902 /nfs/dbraw/zinc/52/19/02/431521902.db2.gz DIBOTCPSLSJGIC-MRXNPFEDSA-N 2 0 303.450 2.610 20 0 DFADRP CCc1nn(C)c(CC)c1C[NH+]1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000656787241 431522164 /nfs/dbraw/zinc/52/21/64/431522164.db2.gz UYXAFYFBRNHUEH-MRXNPFEDSA-N 2 0 318.509 2.757 20 0 DFADRP C[C@@H]1CN(Cc2ccc3c(c2)C[NH2+]CC3)c2ccccc2C[NH2+]1 ZINC000656785341 431522387 /nfs/dbraw/zinc/52/23/87/431522387.db2.gz GTYUMNWXGZOECP-OAHLLOKOSA-N 2 0 307.441 2.831 20 0 DFADRP CCOc1ccc(C[NH+]2CCC([C@@H]3CCC[NH2+]C3)CC2)nc1 ZINC000656787270 431522688 /nfs/dbraw/zinc/52/26/88/431522688.db2.gz WDCIHOKHWYXULZ-MRXNPFEDSA-N 2 0 303.450 2.692 20 0 DFADRP Clc1ccccc1N1CC[C@@H](C[NH2+][C@H]2CCC[NH2+]CC2)C1 ZINC000656787357 431523437 /nfs/dbraw/zinc/52/34/37/431523437.db2.gz IHNHBJWZHGZDKN-GJZGRUSLSA-N 2 0 307.869 2.898 20 0 DFADRP c1cc(C[NH2+]CCCN2CC[NH2+]CC2)cc(C2CCCC2)c1 ZINC000656784950 431523644 /nfs/dbraw/zinc/52/36/44/431523644.db2.gz FJSZINNUOJLQOB-UHFFFAOYSA-N 2 0 301.478 2.729 20 0 DFADRP CN(C)c1ccccc1C[N@@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000656786222 431523689 /nfs/dbraw/zinc/52/36/89/431523689.db2.gz PYBFVDWYIXVXSM-KRWDZBQOSA-N 2 0 301.478 2.964 20 0 DFADRP C[NH+](C)CCOc1cc(CNc2[nH+]ccc3[nH]ccc32)ccn1 ZINC000663753901 431525416 /nfs/dbraw/zinc/52/54/16/431525416.db2.gz ILGOFKBYEGNMKO-UHFFFAOYSA-N 2 0 311.389 2.510 20 0 DFADRP CCC[C@@H]1CN(c2[nH+]ccc3[nH]ccc32)CC[N@@H+]1CCOC ZINC000663759061 431527763 /nfs/dbraw/zinc/52/77/63/431527763.db2.gz OURFNYVFHVNZLJ-CQSZACIVSA-N 2 0 302.422 2.500 20 0 DFADRP CC(C)(C[NH2+]C1CC[NH+](C2CCCCC2)CC1)[C@]1(O)CCOC1 ZINC000647247589 431529932 /nfs/dbraw/zinc/52/99/32/431529932.db2.gz SYHOQRUPNWQOCZ-IBGZPJMESA-N 2 0 324.509 2.551 20 0 DFADRP O[C@@H]1CCC[C@H]1[NH+]1CCC([NH2+]C2CCC(F)(F)CC2)CC1 ZINC000647193404 431505262 /nfs/dbraw/zinc/50/52/62/431505262.db2.gz XTHYKHDONCFKMP-HUUCEWRRSA-N 2 0 302.409 2.532 20 0 DFADRP O[C@@H]1CC[N@H+](Cc2ccccc2C[NH2+]C2CCC(F)(F)CC2)C1 ZINC000647199997 431507911 /nfs/dbraw/zinc/50/79/11/431507911.db2.gz BJMTZGMPAQRKAI-QGZVFWFLSA-N 2 0 324.415 2.921 20 0 DFADRP C[NH+](C)CCOc1cc(C[NH2+]C2CCC(F)(F)CC2)ccn1 ZINC000647197687 431508509 /nfs/dbraw/zinc/50/85/09/431508509.db2.gz JAWGUPXNAPOIMM-UHFFFAOYSA-N 2 0 313.392 2.690 20 0 DFADRP Cn1ncc2c1CCC[C@@H]2[NH2+]C[C@@H]1C[N@H+](C)C[C@H]1c1ccccc1 ZINC000647344052 431559617 /nfs/dbraw/zinc/55/96/17/431559617.db2.gz IDBFVYLQELNUFR-NEWSRXKRSA-N 2 0 324.472 2.733 20 0 DFADRP CC(C)n1cc(C2=CCC[N@H+](CC[C@H]3CCC[NH+]3C)CC2)nn1 ZINC000660716832 431563169 /nfs/dbraw/zinc/56/31/69/431563169.db2.gz AZECIARSGLOHAM-QGZVFWFLSA-N 2 0 317.481 2.823 20 0 DFADRP CCN(CCC[N@@H+]1CCC[C@@]2(CC[NH+](C)C2)C1)CC(F)(F)F ZINC000660661771 431537517 /nfs/dbraw/zinc/53/75/17/431537517.db2.gz GHJZZVGSPFLPHQ-HNNXBMFYSA-N 2 0 321.431 2.678 20 0 DFADRP CC(C)C[C@H]([NH2+]C[C@@H](C)CN1CC[NH+](C)CC1)c1ccncc1 ZINC000647287760 431538435 /nfs/dbraw/zinc/53/84/35/431538435.db2.gz RPGMRIBCPZEQSF-MJGOQNOKSA-N 2 0 318.509 2.642 20 0 DFADRP CC(C)[N@H+](C)C[C@@H](O)C[NH2+][C@H]1CCCC[C@H]1CC(F)(F)F ZINC000660670205 431543437 /nfs/dbraw/zinc/54/34/37/431543437.db2.gz CJKOGJFQYNZXBH-IHRRRGAJSA-N 2 0 310.404 2.788 20 0 DFADRP C[C@H]1C[C@H](C)C[NH+](CCCC[NH2+]Cc2cn3cccnc3n2)C1 ZINC000298561907 279987640 /nfs/dbraw/zinc/98/76/40/279987640.db2.gz WBEQGSCKYCEUMY-HOTGVXAUSA-N 2 0 315.465 2.577 20 0 DFADRP CC[C@@H](C(=O)NC[C@@H](c1ccc(C)cc1)[NH+]1CCCC1)[NH+](C)C ZINC000126492063 280077341 /nfs/dbraw/zinc/07/73/41/280077341.db2.gz ALNMERYBDNCRLF-ROUUACIJSA-N 2 0 317.477 2.588 20 0 DFADRP CC[C@@H](C)[C@H](C)[N@H+](CC(=O)NC1CC[NH+](C2CC2)CC1)C1CC1 ZINC000104966854 280122152 /nfs/dbraw/zinc/12/21/52/280122152.db2.gz VGWBHPJHWUPICO-CABCVRRESA-N 2 0 321.509 2.628 20 0 DFADRP CC(C)[C@H](Cc1ccc(F)cc1)[NH2+][C@H](C)CN1CC[NH+](C)CC1 ZINC000155018490 280268682 /nfs/dbraw/zinc/26/86/82/280268682.db2.gz FUWCGHGGMFENOP-APWZRJJASA-N 2 0 321.484 2.618 20 0 DFADRP Cc1ccc(C[N@@H+]2CCC[C@H]([C@H]3C[C@@H]([NH3+])CCO3)C2)cc1F ZINC000650707139 431652528 /nfs/dbraw/zinc/65/25/28/431652528.db2.gz ZGXSVDBAQKJXOP-XYJFISCASA-N 2 0 306.425 2.852 20 0 DFADRP CCc1ccc(C[N@@H+]2CCC[C@H]([C@H]3C[C@H]([NH3+])CCO3)C2)cc1 ZINC000650705587 431653252 /nfs/dbraw/zinc/65/32/52/431653252.db2.gz MMLWBKHQFRTXKD-IPMKNSEASA-N 2 0 302.462 2.967 20 0 DFADRP [NH3+][C@@H]1CCO[C@H]([C@H]2CCC[N@H+](Cc3cccc(F)c3F)C2)C1 ZINC000650706106 431653967 /nfs/dbraw/zinc/65/39/67/431653967.db2.gz DIBIOVQFJKWPRW-BJJXKVORSA-N 2 0 310.388 2.683 20 0 DFADRP CC[C@@]1([NH2+]CC[C@H](C)CC[NH2+][C@@]2(CC)CCOC2)CCOC1 ZINC000664097582 431655353 /nfs/dbraw/zinc/65/53/53/431655353.db2.gz MDYFIOXNWGTIMK-BCDXTJNWSA-N 2 0 312.498 2.720 20 0 DFADRP COCCOc1ccc(C[N@@H+]2CCC[C@H](C)[C@@H]2CC[NH3+])cc1 ZINC000650711241 431655647 /nfs/dbraw/zinc/65/56/47/431655647.db2.gz MRVXWKVRPFPEKF-YJBOKZPZSA-N 2 0 306.450 2.661 20 0 DFADRP CC[C@@]1([NH2+]CCC(C)CC[NH2+][C@]2(CC)CCOC2)CCOC1 ZINC000664097583 431655824 /nfs/dbraw/zinc/65/58/24/431655824.db2.gz MDYFIOXNWGTIMK-QZTJIDSGSA-N 2 0 312.498 2.720 20 0 DFADRP C[C@H]1CCC[N@H+](Cc2cc(-n3ccnc3)cs2)[C@H]1CC[NH3+] ZINC000650711108 431656453 /nfs/dbraw/zinc/65/64/53/431656453.db2.gz ITZVOTVNMQJBSG-BBRMVZONSA-N 2 0 304.463 2.883 20 0 DFADRP Cn1cc(C[N@@H+]2C[C@@H]3CCC[C@]3(C[NH3+])C2)c(-c2ccccc2)n1 ZINC000650709217 431657772 /nfs/dbraw/zinc/65/77/72/431657772.db2.gz KGFLRXLBNOXBPB-HKUYNNGSSA-N 2 0 310.445 2.648 20 0 DFADRP Cc1cc(C[N@H+]2CCC[C@@H](C)[C@@H]2CC[NH3+])ccc1-n1cncn1 ZINC000650711010 431658193 /nfs/dbraw/zinc/65/81/93/431658193.db2.gz GHVJVOWTMWXUQG-PBHICJAKSA-N 2 0 313.449 2.525 20 0 DFADRP C[C@@H]1CCC[N@H+](Cc2cccc3c2OCCCO3)[C@H]1CC[NH3+] ZINC000650711029 431658232 /nfs/dbraw/zinc/65/82/32/431658232.db2.gz GOYKEANZEWAESZ-ZBFHGGJFSA-N 2 0 304.434 2.797 20 0 DFADRP Cc1ccc(NC(=O)C[C@H](C)[NH2+]CCC2(C[NH3+])CC2)c(C)c1 ZINC000650713170 431659075 /nfs/dbraw/zinc/65/90/75/431659075.db2.gz IAXHBIVXWUOWEU-HNNXBMFYSA-N 2 0 303.450 2.739 20 0 DFADRP CCO[C@@H]1C[N@H+](CCCCCOc2ccccc2)C[C@H]1C[NH3+] ZINC000650713862 431659332 /nfs/dbraw/zinc/65/93/32/431659332.db2.gz GNXBSFJHUBJAKB-SJLPKXTDSA-N 2 0 306.450 2.531 20 0 DFADRP CCO[C@@H]1C[N@H+](Cc2ccc(C(F)(F)F)c(C)c2)C[C@H]1C[NH3+] ZINC000650714098 431659695 /nfs/dbraw/zinc/65/96/95/431659695.db2.gz REEPYTGIUABEQU-UKRRQHHQSA-N 2 0 316.367 2.809 20 0 DFADRP COc1cccc(-c2n[nH]cc2C[N@@H+]2CCC[C@@H]([C@H](C)[NH3+])C2)c1 ZINC000647496840 431606364 /nfs/dbraw/zinc/60/63/64/431606364.db2.gz XUVWSNOGDAJOGY-DZGCQCFKSA-N 2 0 314.433 2.645 20 0 DFADRP CC[C@H]1C[N@H+](Cc2ccc(-c3cnn(C)c3)s2)CC[C@H]1[NH3+] ZINC000647497852 431606383 /nfs/dbraw/zinc/60/63/83/431606383.db2.gz YECWHQLCMVGTCN-SWLSCSKDSA-N 2 0 304.463 2.708 20 0 DFADRP Nc1ccc(C[NH+]2CCC(CCC[NH+]3CCCC3)CC2)cn1 ZINC000647517765 431615115 /nfs/dbraw/zinc/61/51/15/431615115.db2.gz ALAFFZZFAVBENH-UHFFFAOYSA-N 2 0 302.466 2.582 20 0 DFADRP Cc1ccc2ncc(C[N@@H+]3CCC[C@@H]([C@@H]4CCC[NH2+]C4)C3)n2c1 ZINC000647543326 431623626 /nfs/dbraw/zinc/62/36/26/431623626.db2.gz LALCVKDDOLLADN-IAGOWNOFSA-N 2 0 312.461 2.854 20 0 DFADRP Cc1nc2ccccn2c1C[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647543193 431625068 /nfs/dbraw/zinc/62/50/68/431625068.db2.gz JATUUPYLVSZQMW-DLBZAZTESA-N 2 0 312.461 2.854 20 0 DFADRP c1cc2c(c(C[N@@H+]3CCC[C@H]([C@@H]4CCC[NH2+]C4)C3)c1)OCO2 ZINC000647542941 431625573 /nfs/dbraw/zinc/62/55/73/431625573.db2.gz FAVXDTGZRLBEBL-CABCVRRESA-N 2 0 302.418 2.627 20 0 DFADRP COc1cccc(C[N@@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)c1OC ZINC000647543225 431625974 /nfs/dbraw/zinc/62/59/74/431625974.db2.gz JRWOYECSDBXAGS-CVEARBPZSA-N 2 0 318.461 2.915 20 0 DFADRP Cc1[nH+]ccc(N2CCC([N@@H+]3CCCOCC3)CC2)c1Cl ZINC000664011796 431626268 /nfs/dbraw/zinc/62/62/68/431626268.db2.gz SOZFRLNLMMEDRW-UHFFFAOYSA-N 2 0 309.841 2.735 20 0 DFADRP [NH3+]CCC1CC[NH+](Cc2cnn(Cc3ccc(F)cc3)c2)CC1 ZINC000650722138 431666643 /nfs/dbraw/zinc/66/66/43/431666643.db2.gz MBZDCZQIGGESPD-UHFFFAOYSA-N 2 0 316.424 2.631 20 0 DFADRP C[C@@H]1C[C@@H](C)C[NH+](CCCC[NH2+]Cc2cn(C3CCC3)nn2)C1 ZINC000657312994 431668681 /nfs/dbraw/zinc/66/86/81/431668681.db2.gz OPYNNGHSBCLHJH-HZPDHXFCSA-N 2 0 319.497 2.851 20 0 DFADRP C[C@@H](CNCc1cc(C(F)(F)F)nn1C)C[NH+]1CCCCC1 ZINC000657316376 431673168 /nfs/dbraw/zinc/67/31/68/431673168.db2.gz DYONOALBKDSCKY-LBPRGKRZSA-N 2 0 318.387 2.651 20 0 DFADRP [NH3+]CC1(CC[NH2+]C2CCN(c3ccc(F)cc3F)CC2)CC1 ZINC000650744674 431675554 /nfs/dbraw/zinc/67/55/54/431675554.db2.gz UBKZNVQXQUHALC-UHFFFAOYSA-N 2 0 309.404 2.652 20 0 DFADRP CC[C@@H]([NH2+]Cc1cnc2n1CCC2)c1ccc2c(c1)OCCO2 ZINC000657324419 431677254 /nfs/dbraw/zinc/67/72/54/431677254.db2.gz RJWDBQUJTWJROA-OAHLLOKOSA-N 2 0 313.401 2.841 20 0 DFADRP CC[C@@H]([NH2+][C@@H]1CCO[C@H](c2ccncc2)C1)[C@@H]1CCCC[NH2+]1 ZINC000650751786 431678891 /nfs/dbraw/zinc/67/88/91/431678891.db2.gz AXRPRCXASSIRQR-BDXSIMOUSA-N 2 0 303.450 2.812 20 0 DFADRP C[C@H](C[NH2+]Cc1cccc(OC2CC2)c1F)Cn1ccnc1 ZINC000657334295 431682641 /nfs/dbraw/zinc/68/26/41/431682641.db2.gz UTNPOWSYILQZDV-CYBMUJFWSA-N 2 0 303.381 2.989 20 0 DFADRP c1cc(C[NH+]2CCCC2)ccc1C[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000647788055 431684193 /nfs/dbraw/zinc/68/41/93/431684193.db2.gz BSWQWXLMSUYXEP-SLFFLAALSA-N 3 0 313.489 2.760 20 0 DFADRP CN(C)c1cc(C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)c2ccccc2n1 ZINC000647788265 431684235 /nfs/dbraw/zinc/68/42/35/431684235.db2.gz GPHMHPWCVVMSCO-HLLBOEOZSA-N 2 0 324.472 2.779 20 0 DFADRP c1ccc(CN2CCC([NH2+]CCC3CC[NH2+]CC3)CC2)cc1 ZINC000650764185 431684380 /nfs/dbraw/zinc/68/43/80/431684380.db2.gz SASRAVWGZCGYBN-UHFFFAOYSA-N 2 0 301.478 2.630 20 0 DFADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]CCc1ccc2c(c1)OC(F)(F)O2 ZINC000650761433 431685565 /nfs/dbraw/zinc/68/55/65/431685565.db2.gz ZTXWNOSVUDOWHZ-DGCLKSJQSA-N 2 0 312.360 2.528 20 0 DFADRP COCCc1nc(C)c([C@H](C)[NH2+]CCC2CC[NH2+]CC2)s1 ZINC000650763385 431686312 /nfs/dbraw/zinc/68/63/12/431686312.db2.gz YVQHFGGYOICUMJ-LBPRGKRZSA-N 2 0 311.495 2.681 20 0 DFADRP C(C[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)Cc1nc2c(s1)CCCC2 ZINC000647789683 431686642 /nfs/dbraw/zinc/68/66/42/431686642.db2.gz JHZLSQMTYGBXLY-QLFBSQMISA-N 2 0 319.518 2.932 20 0 DFADRP c1cc(C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)cc(N2CCCCC2)n1 ZINC000647789969 431687092 /nfs/dbraw/zinc/68/70/92/431687092.db2.gz OSPUOKJMXYCFFW-OKZBNKHCSA-N 2 0 314.477 2.550 20 0 DFADRP CC(C)[C@@H](C[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1)N1CCC(C)CC1 ZINC000647788391 431687318 /nfs/dbraw/zinc/68/73/18/431687318.db2.gz INQIPBISMLXQNP-WJFTUGDTSA-N 2 0 307.526 2.721 20 0 DFADRP COc1ccc(CC[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)c(Cl)c1 ZINC000647789862 431687422 /nfs/dbraw/zinc/68/74/22/431687422.db2.gz MWOKMNLQHAFSNG-SOUVJXGZSA-N 2 0 308.853 2.869 20 0 DFADRP CC[C@H](C[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)Oc1ccccc1F ZINC000647788478 431687579 /nfs/dbraw/zinc/68/75/79/431687579.db2.gz KDSCUGWMFBLXHU-QKPAOTATSA-N 2 0 306.425 2.961 20 0 DFADRP Fc1ccc(N2CC[C@H]([NH2+][C@@H]3CC[C@H]4C[NH2+]C[C@H]4C3)C2)c(F)c1 ZINC000647790101 431687678 /nfs/dbraw/zinc/68/76/78/431687678.db2.gz RJPNVVJJXXPVPZ-XNISGKROSA-N 2 0 321.415 2.521 20 0 DFADRP c1cc(N2CCCCC2)ncc1C[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000647790418 431688263 /nfs/dbraw/zinc/68/82/63/431688263.db2.gz YGIDRMQSPNZCHW-RCCFBDPRSA-N 2 0 314.477 2.550 20 0 DFADRP c1ccc(C2(C[NH2+][C@@H]3CC[C@@H]4C[NH2+]C[C@H]4C3)CCOCC2)cc1 ZINC000647788764 431688281 /nfs/dbraw/zinc/68/82/81/431688281.db2.gz QDSZIUOKIOMZFM-ZHALLVOQSA-N 2 0 314.473 2.713 20 0 DFADRP c1ccc([C@H]([NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)[C@@H]2CCOC2)cc1 ZINC000647792924 431688316 /nfs/dbraw/zinc/68/83/16/431688316.db2.gz FNVJUSVQMRPSAD-FQBWVUSXSA-N 2 0 300.446 2.742 20 0 DFADRP Clc1ccc(COCC[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000647794275 431688880 /nfs/dbraw/zinc/68/88/80/431688880.db2.gz WYAMOGWHSLLDKA-BFYDXBDKSA-N 2 0 308.853 2.834 20 0 DFADRP C[C@H]([NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)[C@@H](c1ccccc1)N(C)C ZINC000647795234 431688914 /nfs/dbraw/zinc/68/89/14/431688914.db2.gz LHAJHEJLYDCFTI-YYTXDEJISA-N 2 0 301.478 2.656 20 0 DFADRP Fc1ccccc1N1CCC[C@H]([NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)C1 ZINC000647793819 431689385 /nfs/dbraw/zinc/68/93/85/431689385.db2.gz JGLCVQQNGDNFMX-NXOAAHMSSA-N 2 0 317.452 2.772 20 0 DFADRP CO[C@H](c1ccccc1F)[C@H](C)[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000647794309 431689704 /nfs/dbraw/zinc/68/97/04/431689704.db2.gz XPJRBBWXJDMEMJ-KCTHJMFYSA-N 2 0 306.425 2.879 20 0 DFADRP CCN(CC)[C@H](C[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)c1ccco1 ZINC000647793362 431689830 /nfs/dbraw/zinc/68/98/30/431689830.db2.gz VHRSLBPPMXWEKE-YYIAUSFCSA-N 2 0 305.466 2.640 20 0 DFADRP Fc1cccc(N2CCCC2)c1C[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000647797029 431691447 /nfs/dbraw/zinc/69/14/47/431691447.db2.gz VJKMNPGJDULWKY-HRCADAONSA-N 2 0 317.452 2.904 20 0 DFADRP c1ccc(N2CCC[C@H](C[NH2+][C@@H]3CC[C@@H]4C[NH2+]C[C@@H]4C3)C2)cc1 ZINC000647797082 431692517 /nfs/dbraw/zinc/69/25/17/431692517.db2.gz XPYFSUJRWOPTEM-AKHDSKFASA-N 2 0 313.489 2.881 20 0 DFADRP C[NH+]1CCC(C[NH2+]Cc2cccc(F)c2OC(F)F)CC1 ZINC000657349265 431693758 /nfs/dbraw/zinc/69/37/58/431693758.db2.gz PDJBMHPTTRKSAN-UHFFFAOYSA-N 2 0 302.340 2.859 20 0 DFADRP Cc1cccc2nc(CC[NH2+][C@H]3C[C@@H]([NH3+])c4ccccc43)cn21 ZINC000647804136 431693974 /nfs/dbraw/zinc/69/39/74/431693974.db2.gz JUPGAOCLOMVJSS-MSOLQXFVSA-N 2 0 306.413 2.920 20 0 DFADRP CCOc1ccccc1CC[NH2+]Cc1ccnn1-c1cc[nH+]cc1 ZINC000657351366 431695354 /nfs/dbraw/zinc/69/53/54/431695354.db2.gz NWOQIGCDAJKPRH-UHFFFAOYSA-N 2 0 322.412 2.998 20 0 DFADRP O=C(CC[N@H+](C1CC1)C1CC[NH2+]CC1)Nc1cccc(Cl)c1 ZINC000647814256 431696286 /nfs/dbraw/zinc/69/62/86/431696286.db2.gz GDJACIQMRDOYKM-UHFFFAOYSA-N 2 0 321.852 2.885 20 0 DFADRP c1cc(C[NH2+]C[C@@H]2OCCc3ccccc32)n(-c2cc[nH+]cc2)n1 ZINC000657357662 431699607 /nfs/dbraw/zinc/69/96/07/431699607.db2.gz CRZORTAEVFDWDQ-IBGZPJMESA-N 2 0 320.396 2.671 20 0 DFADRP CCCC(O)(CCC)C[NH2+]Cc1ccnn1-c1cc[nH+]cc1 ZINC000657370905 431705501 /nfs/dbraw/zinc/70/55/01/431705501.db2.gz NOOYULVDAZSJCP-UHFFFAOYSA-N 2 0 302.422 2.688 20 0 DFADRP CCOc1ccc(C[NH2+]Cc2ccc(C[NH3+])cc2F)cc1OC ZINC000650718417 431662619 /nfs/dbraw/zinc/66/26/19/431662619.db2.gz LJZXIQVHGYVGTP-UHFFFAOYSA-N 2 0 318.392 2.982 20 0 DFADRP Cc1ccc2cc(C[NH2+]CC(C)(C)N3CC[NH+](C)CC3)[nH]c2c1 ZINC000657304632 431662907 /nfs/dbraw/zinc/66/29/07/431662907.db2.gz OZSRHTJLPUNDFI-UHFFFAOYSA-N 2 0 314.477 2.592 20 0 DFADRP C[NH+](C)Cc1cccc(NC(=O)NC[C@@H]2CC[N@@H+]2C(C)(C)C)c1 ZINC000664291616 431725834 /nfs/dbraw/zinc/72/58/34/431725834.db2.gz KXYPXBJCXDFBNE-INIZCTEOSA-N 2 0 318.465 2.743 20 0 DFADRP COCCC1(C[NH2+]Cc2ccnn2-c2cc[nH+]cc2)CCCC1 ZINC000657396778 431726738 /nfs/dbraw/zinc/72/67/38/431726738.db2.gz BMVVXNZFMQSJGC-UHFFFAOYSA-N 2 0 314.433 2.954 20 0 DFADRP CC[C@H](C)[N@H+](CC)CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000661103126 431732560 /nfs/dbraw/zinc/73/25/60/431732560.db2.gz DUENINGGLUCXQU-RDJZCZTQSA-N 2 0 305.466 2.526 20 0 DFADRP C[C@@H]1C[N@@H+]([C@@H]2C[C@@H]2c2ccccc2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000361348302 288250789 /nfs/dbraw/zinc/25/07/89/288250789.db2.gz JIDJWBGVDUFDBL-VBSBHUPXSA-N 2 0 313.489 2.500 20 0 DFADRP CC1CC[NH+](C2CCC([NH2+]Cc3cc4n(n3)CCC4)CC2)CC1 ZINC000657416520 431736736 /nfs/dbraw/zinc/73/67/36/431736736.db2.gz UTYWKRKNMWLETR-UHFFFAOYSA-N 2 0 316.493 2.962 20 0 DFADRP CC[C@H]1C[N@H+](CCCc2nc(-c3ccccc3)no2)CC[C@@H]1[NH3+] ZINC000647939036 431738447 /nfs/dbraw/zinc/73/84/47/431738447.db2.gz ZNBPCISDJRXONX-HOCLYGCPSA-N 2 0 314.433 2.728 20 0 DFADRP CCN(C(=O)Nc1cccc(C[NH+](C)C)c1)[C@H]1CC[N@H+](CC)C1 ZINC000664340420 431740576 /nfs/dbraw/zinc/74/05/76/431740576.db2.gz IODSBDHWKGSLHH-KRWDZBQOSA-N 2 0 318.465 2.696 20 0 DFADRP C[C@H]([NH2+]Cc1cnn2c1CCC2)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000657429188 431743911 /nfs/dbraw/zinc/74/39/11/431743911.db2.gz DSOJNRWBWHSJPJ-FUHWJXTLSA-N 2 0 324.472 2.830 20 0 DFADRP CC(C)C[C@H]1C[C@H]([NH2+]Cc2ccnn2-c2cc[nH+]cc2)CCO1 ZINC000657427856 431745575 /nfs/dbraw/zinc/74/55/75/431745575.db2.gz GREPLPKJGLCGDP-QAPCUYQASA-N 2 0 314.433 2.951 20 0 DFADRP CCOc1ccc(C[NH2+][C@H](C)CCN2CC[NH+](C)CC2)c(C)c1 ZINC000657438854 431754789 /nfs/dbraw/zinc/75/47/89/431754789.db2.gz PVHBCFPCWLEOHY-QGZVFWFLSA-N 2 0 319.493 2.509 20 0 DFADRP CC(C)[NH2+]C1CC[NH+](C[C@H]2CCCN(C(=O)C(C)(C)C)C2)CC1 ZINC000647968029 431754889 /nfs/dbraw/zinc/75/48/89/431754889.db2.gz KFCRFGCFTKFLND-MRXNPFEDSA-N 2 0 323.525 2.734 20 0 DFADRP CCC[N@H+](C[C@H](O)C[NH+](C)C(C)C)[C@H]1C[C@H](OCC)C1(C)C ZINC000647965029 431755036 /nfs/dbraw/zinc/75/50/36/431755036.db2.gz COTMOYJGBUNMNB-IKGGRYGDSA-N 2 0 314.514 2.603 20 0 DFADRP c1cc(CNC[C@@H]2CC[N@H+](Cc3ccccc3)C2)n(CC2CC2)n1 ZINC000657453407 431760072 /nfs/dbraw/zinc/76/00/72/431760072.db2.gz XBOJTSKYBZZUIJ-IBGZPJMESA-N 2 0 324.472 2.905 20 0 DFADRP COc1cccc(OCC[N@@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)c1 ZINC000647977756 431761284 /nfs/dbraw/zinc/76/12/84/431761284.db2.gz HBUHENBBHYYUSQ-SJORKVTESA-N 2 0 318.461 2.786 20 0 DFADRP c1cc(CC[N@@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)cc2c1OCC2 ZINC000647978808 431762319 /nfs/dbraw/zinc/76/23/19/431762319.db2.gz YKVBFPYRAHSTLO-MOPGFXCFSA-N 2 0 314.473 2.876 20 0 DFADRP c1coc(-c2noc(C[N@@H+]3CCC[C@H]([C@H]4CCC[NH2+]C4)C3)n2)c1 ZINC000647975836 431762354 /nfs/dbraw/zinc/76/23/54/431762354.db2.gz GPCQAMIODCIOKO-KBPBESRZSA-N 2 0 316.405 2.541 20 0 DFADRP CC(C)c1noc([C@H](C)[N@@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)n1 ZINC000647975793 431763195 /nfs/dbraw/zinc/76/31/95/431763195.db2.gz GAMPMTFGFZEAHY-KKUMJFAQSA-N 2 0 306.454 2.966 20 0 DFADRP c1ccc(C[C@@H]2COCC[N@H+]2CCCC2CC[NH2+]CC2)cc1 ZINC000647877297 431715345 /nfs/dbraw/zinc/71/53/45/431715345.db2.gz NAOXUKVYRHKUCH-LJQANCHMSA-N 2 0 302.462 2.710 20 0 DFADRP CCCCN(C)C(=O)C1CC[NH+](CCCC2CC[NH2+]CC2)CC1 ZINC000647880971 431716153 /nfs/dbraw/zinc/71/61/53/431716153.db2.gz KFKGOXXXYVUMNP-UHFFFAOYSA-N 2 0 323.525 2.737 20 0 DFADRP C[N@H+](CCCc1cc(-c2cccc(F)c2)n[nH]1)C[C@H]1CC[NH2+]C1 ZINC000647881524 431717347 /nfs/dbraw/zinc/71/73/47/431717347.db2.gz CPVOARKWRLROMI-AWEZNQCLSA-N 2 0 316.424 2.690 20 0 DFADRP Cn1ncc(C2CC2)c1CNC[C@@H]1C[N@H+](C)C[C@H]1c1ccccc1 ZINC000657500279 431788465 /nfs/dbraw/zinc/78/84/65/431788465.db2.gz MVFYVAHVZDYQFG-MJGOQNOKSA-N 2 0 324.472 2.733 20 0 DFADRP CC(C)C[N@H+](C)CCCNCc1ccc(O[C@H]2CCOC2)cc1 ZINC000657499508 431789181 /nfs/dbraw/zinc/78/91/81/431789181.db2.gz AUXNBPOZQYUQAG-IBGZPJMESA-N 2 0 320.477 2.922 20 0 DFADRP C[NH+](C)CCOc1ccc(C[NH2+]C[C@@H]2CCN2C(C)(C)C)cc1 ZINC000657523188 431796352 /nfs/dbraw/zinc/79/63/52/431796352.db2.gz FEDYXEYAPWOUJA-KRWDZBQOSA-N 2 0 319.493 2.589 20 0 DFADRP Clc1ccc(C[NH2+]CC2CC[NH+](C3CCOCC3)CC2)o1 ZINC000657536958 431799828 /nfs/dbraw/zinc/79/98/28/431799828.db2.gz VOTKGXXJGJPPQJ-UHFFFAOYSA-N 2 0 312.841 2.914 20 0 DFADRP COc1cccc(C[NH2+]CC2CC[NH+](C3CCOCC3)CC2)c1 ZINC000657536669 431800037 /nfs/dbraw/zinc/80/00/37/431800037.db2.gz MZPSKYOCIJWUJB-UHFFFAOYSA-N 2 0 318.461 2.676 20 0 DFADRP C[C@H](C[N@@H+]1CCOC2(CC[NH+](C)CC2)C1)c1ccc(F)cc1 ZINC000648071941 431808445 /nfs/dbraw/zinc/80/84/45/431808445.db2.gz BLBBTCYXHARGFE-OAHLLOKOSA-N 2 0 306.425 2.726 20 0 DFADRP C[C@@H](CN(C)CCC[NH+](C)C)[NH2+]Cc1cscc1Cl ZINC000657572700 431814825 /nfs/dbraw/zinc/81/48/25/431814825.db2.gz BXUCONQYVRTARS-LBPRGKRZSA-N 2 0 303.903 2.763 20 0 DFADRP C[C@@H](Cc1ccc(F)cc1)[NH2+][C@@H](C)CN(C)CCC[NH+](C)C ZINC000657574081 431814861 /nfs/dbraw/zinc/81/48/61/431814861.db2.gz ZANSBUQDXVSARB-HOTGVXAUSA-N 2 0 309.473 2.618 20 0 DFADRP C[C@@H](CN(C)CCC[NH+](C)C)[NH2+]Cc1cccc2cnccc21 ZINC000657572612 431815092 /nfs/dbraw/zinc/81/50/92/431815092.db2.gz CWNKPUAIPNMGDX-INIZCTEOSA-N 2 0 314.477 2.596 20 0 DFADRP C[C@@H](CN(C)CCC[NH+](C)C)[NH2+]Cc1ccc(Cl)cc1F ZINC000657573747 431815814 /nfs/dbraw/zinc/81/58/14/431815814.db2.gz SEBYRCIEBPAOKM-ZDUSSCGKSA-N 2 0 315.864 2.841 20 0 DFADRP C[C@@H](CN(C)CCC[NH+](C)C)[NH2+]Cc1ccc2[nH]ccc2c1 ZINC000657573770 431816057 /nfs/dbraw/zinc/81/60/57/431816057.db2.gz SUZJPJKCZGBQRS-HNNXBMFYSA-N 2 0 302.466 2.530 20 0 DFADRP C[C@@H]1CC(CC[NH2+]Cc2ccnn2-c2cc[nH+]cc2)C[C@@H](C)O1 ZINC000657462055 431766315 /nfs/dbraw/zinc/76/63/15/431766315.db2.gz CDVTYWLROYTYJX-HUUCEWRRSA-N 2 0 314.433 2.951 20 0 DFADRP Cc1nc(C2([NH2+]CCCC3CC[NH2+]CC3)CCCCC2)no1 ZINC000647991989 431767412 /nfs/dbraw/zinc/76/74/12/431767412.db2.gz MIGCEADPGITUSE-UHFFFAOYSA-N 2 0 306.454 2.907 20 0 DFADRP CC(C)([NH3+])c1noc(C[N@@H+]2CC[C@H]([C@@H]3CCCC3(C)C)C2)n1 ZINC000647995263 431768447 /nfs/dbraw/zinc/76/84/47/431768447.db2.gz JSKLASRQWOLCCP-STQMWFEESA-N 2 0 306.454 2.912 20 0 DFADRP C[N@@H+]1CCC[C@H](CC[NH2+]Cc2ccc(O[C@H]3CCOC3)cc2)C1 ZINC000657491857 431783351 /nfs/dbraw/zinc/78/33/51/431783351.db2.gz LJZRKXSMMDZQHX-MJGOQNOKSA-N 2 0 318.461 2.676 20 0 DFADRP COC[C@H](C)Oc1ccc(C[NH2+]CC[C@@H]2CCC[N@H+](C)C2)cc1 ZINC000657492744 431783733 /nfs/dbraw/zinc/78/37/33/431783733.db2.gz ZWIDOQFMZOTPHE-WMZOPIPTSA-N 2 0 320.477 2.922 20 0 DFADRP CCC(C)(C)[C@H](C)[NH2+]CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000661230728 431787097 /nfs/dbraw/zinc/78/70/97/431787097.db2.gz CORTYXGKNMMBBT-RDJZCZTQSA-N 2 0 319.493 2.820 20 0 DFADRP Cc1ccccc1C[NH2+]Cc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1 ZINC000657596818 431821194 /nfs/dbraw/zinc/82/11/94/431821194.db2.gz ZFKOKWVPEMSBPH-HXUWFJFHSA-N 2 0 310.441 2.851 20 0 DFADRP Cc1ncccc1C[NH2+]CC1CC[NH+](Cc2ccncc2)CC1 ZINC000657612677 431825180 /nfs/dbraw/zinc/82/51/80/431825180.db2.gz ORQMZRHRLRFMHO-UHFFFAOYSA-N 2 0 310.445 2.787 20 0 DFADRP COCC(C)(C)C[NH2+]CC1CC[NH+](Cc2ccncc2)CC1 ZINC000657613838 431826136 /nfs/dbraw/zinc/82/61/36/431826136.db2.gz SNLYHFUVBVTMLA-UHFFFAOYSA-N 2 0 305.466 2.556 20 0 DFADRP COc1ccc(-c2cc(CNCc3cnc(C)n3C)on2)cc1 ZINC000657633879 431830604 /nfs/dbraw/zinc/83/06/04/431830604.db2.gz AFFCBENVTNRJPR-UHFFFAOYSA-N 2 0 312.373 2.682 20 0 DFADRP Cc1ccc2c(c1)[C@@H]([NH2+][C@@H](C)CN1CC[NH+](C)CC1)CCC2 ZINC000166531873 281094711 /nfs/dbraw/zinc/09/47/11/281094711.db2.gz YNDDDWVBWBWQPG-LPHOPBHVSA-N 2 0 301.478 2.598 20 0 DFADRP Cc1ccc2[nH+]ccc(N3C[C@H](C)[C@H]([NH+]4CCOCC4)C3)c2c1 ZINC000185772781 281170868 /nfs/dbraw/zinc/17/08/68/281170868.db2.gz CPUUEGTWSAQUMK-HNAYVOBHSA-N 2 0 311.429 2.700 20 0 DFADRP C[C@@H]1C[C@@H](C)C[NH+](Cc2ccccc2CNC(=O)CCC[NH3+])C1 ZINC000237560295 288479203 /nfs/dbraw/zinc/47/92/03/288479203.db2.gz YKGQOJBCABHOCS-HZPDHXFCSA-N 2 0 317.477 2.520 20 0 DFADRP O=c1[nH]c2ccccc2cc1C[N@@H+]1C[C@@H]2C[NH+]3CCCC[C@@H]3[C@@H]2C1 ZINC000363414291 289092192 /nfs/dbraw/zinc/09/21/92/289092192.db2.gz LVQWCZJZHASAEM-ZHALLVOQSA-N 2 0 323.440 2.857 20 0 DFADRP CN(CCC[N@H+](C)Cc1ccc2ncccc2c1)CC[NH+](C)C ZINC000289430058 289133126 /nfs/dbraw/zinc/13/31/26/289133126.db2.gz NOJBJKSOPNTTQH-UHFFFAOYSA-N 2 0 314.477 2.550 20 0 DFADRP C[NH+](C)[C@H]1CCc2cc(NC(=O)N[C@H](C[NH3+])C(C)(C)C)ccc21 ZINC000415784044 289137600 /nfs/dbraw/zinc/13/76/00/289137600.db2.gz GSGTZESUKUZLSL-JKSUJKDBSA-N 2 0 318.465 2.730 20 0 DFADRP C[NH+](C)CCOc1cnccc1C[NH2+][C@@H]1CCC[C@H]1CCF ZINC000343934828 289172333 /nfs/dbraw/zinc/17/23/33/289172333.db2.gz OOTFLAQQWRMREK-GOEBONIOSA-N 2 0 309.429 2.640 20 0 DFADRP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@@H+]2CCCCC(F)(F)F ZINC000378244676 289333874 /nfs/dbraw/zinc/33/38/74/289333874.db2.gz QNYUTQUZOBHJRL-RDBSUJKOSA-N 2 0 308.388 2.903 20 0 DFADRP COC[C@@H](C)C[NH2+]Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000177566099 292757818 /nfs/dbraw/zinc/75/78/18/292757818.db2.gz NRNWPDWDMLGRDA-INIZCTEOSA-N 2 0 319.493 2.589 20 0 DFADRP C[C@H]([NH2+][C@H]1CCCC[C@@H]1CO)c1ccc(OCC[NH+](C)C)cc1 ZINC000305106345 290043479 /nfs/dbraw/zinc/04/34/79/290043479.db2.gz DDENMNBBNKOYIB-WDYCEAGBSA-N 2 0 320.477 2.829 20 0 DFADRP C[N@@H+]1CC[C@H](CNC(=O)CC(C)(C)[NH3+])[C@H]1c1cccc(Cl)c1 ZINC000366324710 290193939 /nfs/dbraw/zinc/19/39/39/290193939.db2.gz BAUJMTUHVAAOFL-CZUORRHYSA-N 2 0 323.868 2.576 20 0 DFADRP COC[C@H](CCC[NH3+])[NH2+][C@@H](C)c1ccccc1OC(F)F ZINC000234803625 293096599 /nfs/dbraw/zinc/09/65/99/293096599.db2.gz CWNJWYJGTADBBK-RYUDHWBXSA-N 2 0 302.365 2.693 20 0 DFADRP CCC[C@H](C(=O)NC[C@@H]1CCC[N@@H+]1C1CCCCC1)[NH+](C)C ZINC000437875486 297072896 /nfs/dbraw/zinc/07/28/96/297072896.db2.gz LRFCQPOSJMFRIT-DLBZAZTESA-N 2 0 309.498 2.630 20 0 DFADRP CO[C@H](C)[C@@H](C)[NH2+]Cc1ccccc1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000358026029 294317521 /nfs/dbraw/zinc/31/75/21/294317521.db2.gz UHUAPWIECQQMSI-YYIAUSFCSA-N 2 0 320.477 2.809 20 0 DFADRP Cc1cccc([C@@H](C)[NH2+]CCCC[NH+]2CCN(C)CC2)c1C ZINC000154355076 295298096 /nfs/dbraw/zinc/29/80/96/295298096.db2.gz SKQCCQWQMMBERN-GOSISDBHSA-N 2 0 303.494 2.982 20 0 DFADRP C[C@@H]([NH2+]CCCC[NH+]1CCN(C)CC1)c1cc(F)ccc1F ZINC000154350237 295298220 /nfs/dbraw/zinc/29/82/20/295298220.db2.gz QQTZDCSXZMUKCV-CQSZACIVSA-N 2 0 311.420 2.643 20 0 DFADRP CN1CC[NH+](CCCC[NH2+][C@H]2CCCc3sccc32)CC1 ZINC000154409314 295299661 /nfs/dbraw/zinc/29/96/61/295299661.db2.gz DGBXQIRZCGKIEA-INIZCTEOSA-N 2 0 307.507 2.743 20 0 DFADRP CN1CC[NH+](CCCC[NH2+][C@H]2CCCc3ccccc32)CC1 ZINC000154422283 295300049 /nfs/dbraw/zinc/30/00/49/295300049.db2.gz YTRSNAGMOIJWQQ-IBGZPJMESA-N 2 0 301.478 2.681 20 0 DFADRP Cc1nc(C(C)C)sc1[C@H](C)[NH2+][C@@H](C)CN1CC[NH+](C)CC1 ZINC000154930901 295309433 /nfs/dbraw/zinc/30/94/33/295309433.db2.gz BLNGOFCZRALDTH-KBPBESRZSA-N 2 0 324.538 2.861 20 0 DFADRP C[C@@H]1C[NH+](CCCC[N@H+]2C[C@H](C)OC(C)(C)C2)CC(C)(C)O1 ZINC000157647395 295351807 /nfs/dbraw/zinc/35/18/07/295351807.db2.gz FTQWBDFEECVNCO-IYBDPMFKSA-N 2 0 312.498 2.765 20 0 DFADRP CC[C@@H]1C[NH+](CCCC[N@H+]2C[C@@H](CC)O[C@@H](C)C2)C[C@H](C)O1 ZINC000158091759 295358328 /nfs/dbraw/zinc/35/83/28/295358328.db2.gz SYZIPMKQUBECGI-WNRNVDISSA-N 2 0 312.498 2.765 20 0 DFADRP C[C@H](CC[NH+](C)C)[NH2+]C[C@@]1(C)CCN(C(=O)OC(C)(C)C)C1 ZINC000495459180 299929219 /nfs/dbraw/zinc/92/92/19/299929219.db2.gz PULQVCPCEYPYNT-RHSMWYFYSA-N 2 0 313.486 2.563 20 0 DFADRP C[C@@H]1C[NH+](CC2CC[NH+](CCc3cncs3)CC2)C[C@@H](C)O1 ZINC000411223119 295532432 /nfs/dbraw/zinc/53/24/32/295532432.db2.gz XPBKDXRLSRDAMH-HUUCEWRRSA-N 2 0 323.506 2.507 20 0 DFADRP CC(C)(C)[C@@H]([NH2+]Cc1ccc(C[NH+]2CCCCC2)cc1)C(N)=O ZINC000411368628 295536176 /nfs/dbraw/zinc/53/61/76/295536176.db2.gz OPXGQJNSTMNAFQ-KRWDZBQOSA-N 2 0 317.477 2.662 20 0 DFADRP CC[NH+]1CCC(NC(=O)C[NH2+][C@@H](C)c2cc(C)sc2C)CC1 ZINC000411442022 295540209 /nfs/dbraw/zinc/54/02/09/295540209.db2.gz FXMMGRVMPHDVGP-ZDUSSCGKSA-N 2 0 323.506 2.616 20 0 DFADRP CC[NH+]1CCC(NC(=O)C[NH2+][C@H](C)c2cc(C)sc2C)CC1 ZINC000411442021 295540310 /nfs/dbraw/zinc/54/03/10/295540310.db2.gz FXMMGRVMPHDVGP-CYBMUJFWSA-N 2 0 323.506 2.616 20 0 DFADRP CC(C)[NH+]1CCC(C(=O)Nc2ccc(C[NH+](C)C)cc2F)CC1 ZINC000412559872 295634142 /nfs/dbraw/zinc/63/41/42/295634142.db2.gz OYDFIFQBMJLJFQ-UHFFFAOYSA-N 2 0 321.440 2.946 20 0 DFADRP C[NH+](C)Cc1ccc(NC(=O)[C@H](C2CC2)[NH+]2CCCC2)c(F)c1 ZINC000412563422 295634308 /nfs/dbraw/zinc/63/43/08/295634308.db2.gz ZPROPJKNIFYTCJ-KRWDZBQOSA-N 2 0 319.424 2.700 20 0 DFADRP CC[NH+]1CCC(CCNC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC000439963701 297141528 /nfs/dbraw/zinc/14/15/28/297141528.db2.gz VFFPPWLNIXSLFP-GOSISDBHSA-N 2 0 321.509 2.632 20 0 DFADRP CCC[NH+]1CCC(CNC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC000440130434 297145266 /nfs/dbraw/zinc/14/52/66/297145266.db2.gz ISJJAJXSMCPTJK-SFHVURJKSA-N 2 0 321.509 2.632 20 0 DFADRP CCCC[N@H+](C)CC1CC[NH+](CC2(CC(=O)OC)CC2)CC1 ZINC000440694078 297162168 /nfs/dbraw/zinc/16/21/68/297162168.db2.gz QJJBWCLWDWCCSI-UHFFFAOYSA-N 2 0 310.482 2.774 20 0 DFADRP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@@H+]2CCCOc1ccccc1 ZINC000441172503 297174239 /nfs/dbraw/zinc/17/42/39/297174239.db2.gz HEEOMGBHYUSBQM-BHIYHBOVSA-N 2 0 318.461 2.639 20 0 DFADRP C[C@@H](CCc1ccccc1)C[NH2+]CCN1CC[N@H+](C)C(C)(C)C1 ZINC000441339014 297180150 /nfs/dbraw/zinc/18/01/50/297180150.db2.gz GXFCFTQCTYKXQN-SFHVURJKSA-N 2 0 317.521 2.871 20 0 DFADRP C[NH+](C)CC1CCC(NC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC000442247261 297193246 /nfs/dbraw/zinc/19/32/46/297193246.db2.gz FJMCRIFYJQQYCT-LEOMRAHMSA-N 2 0 321.509 2.630 20 0 DFADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+]C2CCC(C(F)F)CC2)CC1 ZINC000442794269 297206783 /nfs/dbraw/zinc/20/67/83/297206783.db2.gz PXMGQRQZRHNAED-FHERZECASA-N 2 0 317.468 2.674 20 0 DFADRP C[N@@H+]1CCN(CC[NH2+][C@@H]2CCCc3sccc32)CC1(C)C ZINC000442873394 297208740 /nfs/dbraw/zinc/20/87/40/297208740.db2.gz KYAYYNMVLNINKN-OAHLLOKOSA-N 2 0 307.507 2.741 20 0 DFADRP C[C@@H]1C[N@H+](C)CC[C@@H]1NCC[NH+]1CCC2(CCCCC2)CC1 ZINC000442868236 297208855 /nfs/dbraw/zinc/20/88/55/297208855.db2.gz NJBLSFFJORPTCV-MSOLQXFVSA-N 2 0 307.526 2.963 20 0 DFADRP Cc1cccc2c1CC[C@@H]2[NH2+]CCN1CC[N@@H+](C)C(C)(C)C1 ZINC000442874496 297209289 /nfs/dbraw/zinc/20/92/89/297209289.db2.gz QPGCNWXATFKHPL-SFHVURJKSA-N 2 0 301.478 2.598 20 0 DFADRP C[N@@H+]1CCN(CC[NH2+][C@H]2CC(C)(C)Cc3occc32)CC1(C)C ZINC000442875998 297209337 /nfs/dbraw/zinc/20/93/37/297209337.db2.gz QFIYVJMTTNHLSB-INIZCTEOSA-N 2 0 319.493 2.909 20 0 DFADRP CC[N@@H+]1CC[C@@H](N(C)Cc2cc(C(F)(F)F)n[nH]2)[C@@H](C)C1 ZINC000442886659 297209826 /nfs/dbraw/zinc/20/98/26/297209826.db2.gz TUKDYYSQFAFZTJ-CMPLNLGQSA-N 2 0 304.360 2.591 20 0 DFADRP Cn1c2cc(Cl)ccc2nc1C[N@@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000442922942 297211153 /nfs/dbraw/zinc/21/11/53/297211153.db2.gz LRARXDGYXHEALE-LBPRGKRZSA-N 2 0 306.841 2.788 20 0 DFADRP Cc1ccc(NC(=O)[C@@H](C)[N@@H+]2CCC[C@H](CC[NH3+])C2)c(F)c1 ZINC000443056115 297213612 /nfs/dbraw/zinc/21/36/12/297213612.db2.gz CBAOEPJWHBOYRS-ZIAGYGMSSA-N 2 0 307.413 2.522 20 0 DFADRP CC(C)(C)c1ccccc1NC(=O)C[N@@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000443060339 297213811 /nfs/dbraw/zinc/21/38/11/297213811.db2.gz OUZGXZOMIPAYQW-HNNXBMFYSA-N 2 0 317.477 2.983 20 0 DFADRP CC(C)CSCCC[NH+]1CCC([N@H+](C)C[C@@H](C)O)CC1 ZINC000443625705 297223274 /nfs/dbraw/zinc/22/32/74/297223274.db2.gz HKAUCGFVLVJUOJ-OAHLLOKOSA-N 2 0 302.528 2.543 20 0 DFADRP C[NH+](C)CC1CC[NH+](Cc2cncn2Cc2ccccc2)CC1 ZINC000445800947 297267259 /nfs/dbraw/zinc/26/72/59/297267259.db2.gz CTSUHQSQOPLVNH-UHFFFAOYSA-N 2 0 312.461 2.705 20 0 DFADRP CC[C@H]([NH2+]CCOCC[NH+](C)C)c1cc(Cl)ccc1OC ZINC000447593376 297310017 /nfs/dbraw/zinc/31/00/17/297310017.db2.gz RMQSNRBJHXBTCN-HNNXBMFYSA-N 2 0 314.857 2.968 20 0 DFADRP Cc1ccc2[nH]c3c(c2c1)C[C@@H]([NH2+]CCOCC[NH+](C)C)CC3 ZINC000447597817 297310310 /nfs/dbraw/zinc/31/03/10/297310310.db2.gz TVZUEVZYCAERPN-HNNXBMFYSA-N 2 0 315.461 2.501 20 0 DFADRP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+]CC2(O)CCC2)CC1 ZINC000449147876 297413305 /nfs/dbraw/zinc/41/33/05/297413305.db2.gz IILUYBDENMJRPM-MRXNPFEDSA-N 2 0 302.462 2.587 20 0 DFADRP CCO[C@@H](CC[NH+](C)C)C[NH2+]C1CCC(CSC)CC1 ZINC000449219863 297425094 /nfs/dbraw/zinc/42/50/94/297425094.db2.gz FNCVNASQUTZOJF-GPANFISMSA-N 2 0 302.528 2.855 20 0 DFADRP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1NC(=O)C[C@H]1CCCC[C@@H]1[NH3+] ZINC000449355970 297452350 /nfs/dbraw/zinc/45/23/50/297452350.db2.gz ATECVBUNZKWIDI-OWSLCNJRSA-N 2 0 323.525 2.911 20 0 DFADRP CC(C)CC[NH+]1CCC(CNC(=O)C[C@H]2CCCC[C@H]2[NH3+])CC1 ZINC000449362694 297453666 /nfs/dbraw/zinc/45/36/66/297453666.db2.gz MAKNDGNZDCOTLR-QZTJIDSGSA-N 2 0 323.525 2.768 20 0 DFADRP CC[NH+]1CCN(CC(C)(C)[NH2+]Cc2ccc(F)c(C)c2)CC1 ZINC000449747730 297526270 /nfs/dbraw/zinc/52/62/70/297526270.db2.gz YBLOVTGNLDYREQ-UHFFFAOYSA-N 2 0 307.457 2.640 20 0 DFADRP CC[NH+]1CCN(CC(C)(C)[NH2+]Cc2cc(C)ccc2C)CC1 ZINC000449748246 297526336 /nfs/dbraw/zinc/52/63/36/297526336.db2.gz BCEBZACYWCAIGQ-UHFFFAOYSA-N 2 0 303.494 2.809 20 0 DFADRP CCOc1ccc(C[NH2+]C(C)(C)CN2CC[NH+](CC)CC2)cc1 ZINC000449748923 297526558 /nfs/dbraw/zinc/52/65/58/297526558.db2.gz DDMFSZXJGUQSTK-UHFFFAOYSA-N 2 0 319.493 2.591 20 0 DFADRP COc1c[nH+]ccc1N1CC[NH+](C[C@H]2CCC(F)(F)C2)CC1 ZINC000450900142 297710644 /nfs/dbraw/zinc/71/06/44/297710644.db2.gz UGOROWOUXCYPQX-ZDUSSCGKSA-N 2 0 311.376 2.648 20 0 DFADRP C[C@H](C(=O)N(CC[NH+](C)C)C1CCCCC1)[NH+]1CCCCCC1 ZINC000357942565 297999186 /nfs/dbraw/zinc/99/91/86/297999186.db2.gz FLWSMTNEDCSOQS-QGZVFWFLSA-N 2 0 323.525 2.974 20 0 DFADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+][C@@H](C)c2csc(C)c2)CC1 ZINC000453111995 298062829 /nfs/dbraw/zinc/06/28/29/298062829.db2.gz SFSWPNVSAFFZAL-HOCLYGCPSA-N 2 0 309.523 2.981 20 0 DFADRP COC1([C@@H](C)[NH2+]C2CC[NH+](C3CCCC3)CC2)CCOCC1 ZINC000453132791 298065812 /nfs/dbraw/zinc/06/58/12/298065812.db2.gz MLMLQQVYKDDGGT-OAHLLOKOSA-N 2 0 310.482 2.567 20 0 DFADRP CC[NH+](CC)C[C@@H]1CCCC[C@H]1[NH2+][C@H](C)Cc1cnccn1 ZINC000453142371 298066543 /nfs/dbraw/zinc/06/65/43/298066543.db2.gz ZERFHFWQNRJLJB-SOLBZPMBSA-N 2 0 304.482 2.898 20 0 DFADRP c1ccc(C[N@H+]2CC[C@H]([NH2+]CCN3CCC3)[C@H]3CCC[C@@H]32)cc1 ZINC000453174776 298068792 /nfs/dbraw/zinc/06/87/92/298068792.db2.gz PAGMJJVZKLPERZ-AABGKKOBSA-N 2 0 313.489 2.725 20 0 DFADRP C[C@@H]([NH2+]CC1=CCOCC1)c1cccc(OCC[NH+](C)C)c1 ZINC000453299983 298081369 /nfs/dbraw/zinc/08/13/69/298081369.db2.gz WNJQNMKFBONZJG-OAHLLOKOSA-N 2 0 304.434 2.624 20 0 DFADRP C[N@@H+]1CC[C@H]([NH2+][C@@H]2CCO[C@H](c3cccnc3)C2)[C@@H]2CCC[C@@H]21 ZINC000453339395 298084639 /nfs/dbraw/zinc/08/46/39/298084639.db2.gz LWYQMTUDPTYEGO-BCYZHJNNSA-N 2 0 315.461 2.764 20 0 DFADRP C[C@@H]([NH2+][C@@H]1COCC1(C)C)c1cccc(OCC[NH+](C)C)c1 ZINC000453358120 298086818 /nfs/dbraw/zinc/08/68/18/298086818.db2.gz JUSYSXCDNDFUGH-RHSMWYFYSA-N 2 0 306.450 2.703 20 0 DFADRP O[C@@H](C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)C1CCC1 ZINC000453389504 298089502 /nfs/dbraw/zinc/08/95/02/298089502.db2.gz RKDZAJIEBFIQOG-HAGHYFMRSA-N 2 0 314.473 2.933 20 0 DFADRP C[C@@H]([NH2+]CCCC[N@H+](C)C1CC1)c1ccc(-n2cncn2)cc1 ZINC000453399231 298090043 /nfs/dbraw/zinc/09/00/43/298090043.db2.gz LDOYUTBHVIIYHN-OAHLLOKOSA-N 2 0 313.449 2.792 20 0 DFADRP C[C@@H]([NH2+]C[C@H]1CC[C@@H](C)O1)c1cccc(OCC[NH+](C)C)c1 ZINC000453401420 298090448 /nfs/dbraw/zinc/09/04/48/298090448.db2.gz DQMDZKCNLLOSDO-IIDMSEBBSA-N 2 0 306.450 2.845 20 0 DFADRP C[C@@H]([NH2+]C[C@@H]1CC[C@@H](C)O1)c1cccc(OCC[NH+](C)C)c1 ZINC000453401422 298090549 /nfs/dbraw/zinc/09/05/49/298090549.db2.gz DQMDZKCNLLOSDO-RKVPGOIHSA-N 2 0 306.450 2.845 20 0 DFADRP C[C@H]([NH2+]CCCC[N@H+](C)C1CC1)c1cccc(-n2ccnn2)c1 ZINC000453420101 298092527 /nfs/dbraw/zinc/09/25/27/298092527.db2.gz ZCSKSWDKIFETJV-HNNXBMFYSA-N 2 0 313.449 2.792 20 0 DFADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]CCc2ccc(C)cn2)[C@H](C)C1 ZINC000453439152 298095903 /nfs/dbraw/zinc/09/59/03/298095903.db2.gz VWAKJFRWCRNQEN-MJGOQNOKSA-N 2 0 319.493 2.659 20 0 DFADRP C[N@H+](CCCC[NH2+]Cc1nccn1Cc1ccccc1)C1CC1 ZINC000453605061 298104286 /nfs/dbraw/zinc/10/42/86/298104286.db2.gz ZXQAAHKGHDQWDE-UHFFFAOYSA-N 2 0 312.461 2.895 20 0 DFADRP C[C@H](C(=O)NCC(C)(C)[N@@H+]1CCC[C@@H](C)C1)[NH+]1CCCCCC1 ZINC000357812968 298146186 /nfs/dbraw/zinc/14/61/86/298146186.db2.gz VEBSDJSVIWGFGW-IAGOWNOFSA-N 2 0 323.525 2.878 20 0 DFADRP CC[C@H]1C[N@H+](CC)CCN1C(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000454331081 298156964 /nfs/dbraw/zinc/15/69/64/298156964.db2.gz QMTWWIOGGJGCSY-KRWDZBQOSA-N 2 0 318.465 2.696 20 0 DFADRP Cc1cc(C)c(NC(=O)N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)c(C)n1 ZINC000455489581 298368879 /nfs/dbraw/zinc/36/88/79/298368879.db2.gz VRPDLMKKEDPXNE-CABCVRRESA-N 2 0 302.422 2.755 20 0 DFADRP C[C@@H]([NH2+]CCC[C@H]1CCC[NH2+]1)c1cccc(N2CCOC2=O)c1 ZINC000496460712 300066278 /nfs/dbraw/zinc/06/62/78/300066278.db2.gz LRODWADDJTTYJQ-ZBFHGGJFSA-N 2 0 317.433 2.826 20 0 DFADRP C[C@@H]([NH2+]CCC[C@@H]1CCC[NH2+]1)c1cccc(N2CCOC2=O)c1 ZINC000496460706 300066316 /nfs/dbraw/zinc/06/63/16/300066316.db2.gz LRODWADDJTTYJQ-GDBMZVCRSA-N 2 0 317.433 2.826 20 0 DFADRP CC[C@H]([NH2+]CC1([NH3+])CCC1)[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000496625853 300090083 /nfs/dbraw/zinc/09/00/83/300090083.db2.gz PDHYMXBIAKOELI-UONOGXRCSA-N 2 0 311.470 2.636 20 0 DFADRP C[C@H](CCCC[NH3+])[NH2+][C@H](C)c1cccc(N2CCOC2=O)c1 ZINC000496991900 300143626 /nfs/dbraw/zinc/14/36/26/300143626.db2.gz UWBGKGLFFBCDJP-ZIAGYGMSSA-N 2 0 305.422 2.811 20 0 DFADRP Cc1cc(C)c(CNC(=O)N2CCC[N@@H+](C(C)(C)C)CC2)cn1 ZINC000514844370 300273859 /nfs/dbraw/zinc/27/38/59/300273859.db2.gz ZJQWWRGMDMNHTF-UHFFFAOYSA-N 2 0 318.465 2.714 20 0 DFADRP C[C@@H]([NH3+])C[C@@H](C)[NH2+]Cc1ccc(OCC(F)(F)F)c(F)c1 ZINC000515061114 300287747 /nfs/dbraw/zinc/28/77/47/300287747.db2.gz SMNMGCWHJXGLSA-NXEZZACHSA-N 2 0 308.319 2.982 20 0 DFADRP [NH3+][C@@H](CCC(=O)N1CC[C@@H]([NH+]2CCCC2)C1)CC1CCCCC1 ZINC000515057291 300287955 /nfs/dbraw/zinc/28/79/55/300287955.db2.gz WOEFIRUGHSXBJY-ZWKOTPCHSA-N 2 0 321.509 2.761 20 0 DFADRP C[C@H]([NH2+]CC(=O)NCC[NH+]1CCCCCC1)C1CCCCC1 ZINC000515147230 300292366 /nfs/dbraw/zinc/29/23/66/300292366.db2.gz ADAYZRLSRMHQEB-INIZCTEOSA-N 2 0 309.498 2.537 20 0 DFADRP [NH3+][C@@H]1CCC[C@H]([NH2+]C2CCN(Cc3ccc(F)cc3)CC2)C1 ZINC000515311551 300300472 /nfs/dbraw/zinc/30/04/72/300300472.db2.gz NMDAMPPGSVJKND-AEFFLSMTSA-N 2 0 305.441 2.650 20 0 DFADRP C[N@H+](CCC(=O)NC1CC[NH+](C2CCC2)CC1)C1CCCCC1 ZINC000516155176 300331940 /nfs/dbraw/zinc/33/19/40/300331940.db2.gz HYQLOWLVMBYPRG-UHFFFAOYSA-N 2 0 321.509 2.774 20 0 DFADRP CC1CC[NH+](C[C@@H]2CCC[N@H+](C[C@H]3CCCC[C@H]3O)C2)CC1 ZINC000517032828 300379561 /nfs/dbraw/zinc/37/95/61/300379561.db2.gz CGDGNJGKWMFUMP-IPMKNSEASA-N 2 0 308.510 2.981 20 0 DFADRP CO[C@H]1c2ccccc2C[C@H]1[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000517223097 300388234 /nfs/dbraw/zinc/38/82/34/300388234.db2.gz JJAWCNKQCBYNTM-MOPGFXCFSA-N 2 0 300.446 2.763 20 0 DFADRP CC1CC[NH+](C2CCC([NH2+]C[C@H](O)CC(F)(F)F)CC2)CC1 ZINC000517555891 300399372 /nfs/dbraw/zinc/39/93/72/300399372.db2.gz ATRSWDUYWNFBKI-YMAMQOFZSA-N 2 0 322.415 2.932 20 0 DFADRP COCCCOc1cc(C)ccc1C[NH2+][C@H]1CCC[C@@H]([NH3+])C1 ZINC000518217614 300419961 /nfs/dbraw/zinc/41/99/61/300419961.db2.gz SRCXKROWUZWVHT-SJORKVTESA-N 2 0 306.450 2.770 20 0 DFADRP [NH3+][C@@H]1CCC[C@H]([NH2+]CCCC(=O)Nc2ccc(Cl)cc2)C1 ZINC000518999535 300440965 /nfs/dbraw/zinc/44/09/65/300440965.db2.gz DZEXSSQJFLSLNC-HIFRSBDPSA-N 2 0 309.841 2.918 20 0 DFADRP Cc1nc(C[NH3+])ccc1[C@H](C)NC1CC[NH+](C2CCCC2)CC1 ZINC000519761451 300475556 /nfs/dbraw/zinc/47/55/56/300475556.db2.gz CUKYXZIYZSVYFR-AWEZNQCLSA-N 2 0 316.493 2.906 20 0 DFADRP C[NH+]1CCC(O)(C[NH2+][C@H]2CCc3cc(F)c(Cl)cc32)CC1 ZINC000527860528 300702467 /nfs/dbraw/zinc/70/24/67/300702467.db2.gz ALXKUNTWDYYEHR-HNNXBMFYSA-N 2 0 312.816 2.513 20 0 DFADRP C[C@@H]([NH2+]Cc1ccccc1C[NH+]1CCC(O)CC1)[C@@H]1CC12CC2 ZINC000527868552 300704267 /nfs/dbraw/zinc/70/42/67/300704267.db2.gz KTWSNRMJAOISQB-BEFAXECRSA-N 2 0 314.473 2.922 20 0 DFADRP C[C@@H]1C[C@H](N[C@@H]2CC[NH2+]C23CCC3)CC[N@@H+]1Cc1ccccc1 ZINC000530176559 301025784 /nfs/dbraw/zinc/02/57/84/301025784.db2.gz CBLNAJXYHCKADV-BHIYHBOVSA-N 2 0 313.489 2.914 20 0 DFADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]C[C@@H]1c2ccccc2C(=O)N1C ZINC000530219958 301030854 /nfs/dbraw/zinc/03/08/54/301030854.db2.gz ACEBXAMXTFTQIZ-RVKKMQEKSA-N 2 0 315.461 2.714 20 0 DFADRP Cc1ncccc1C[NH2+][C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000530219916 301030969 /nfs/dbraw/zinc/03/09/69/301030969.db2.gz KYJSBWLYWVYAGS-PKOBYXMFSA-N 2 0 309.413 2.736 20 0 DFADRP COc1cccc(C[C@@H]([NH2+][C@H]2CC[NH2+]C23CCC3)C2CC2)c1 ZINC000530224317 301031522 /nfs/dbraw/zinc/03/15/22/301031522.db2.gz WBVGTOUEAODRRR-MSOLQXFVSA-N 2 0 300.446 2.891 20 0 DFADRP CC(C)(C)c1ncc2c(n1)CC[N@@H+](CCC1CC[NH2+]CC1)C2 ZINC000530224563 301031641 /nfs/dbraw/zinc/03/16/41/301031641.db2.gz RAGPSJAOTKASMQ-UHFFFAOYSA-N 2 0 302.466 2.522 20 0 DFADRP CO[C@@H](Cc1ccc(F)cc1)C[NH+]1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000530223068 301031705 /nfs/dbraw/zinc/03/17/05/301031705.db2.gz OGGAXPWVXIMMIR-OALUTQOASA-N 2 0 320.452 2.847 20 0 DFADRP C[C@H]1C[C@@H](C[NH+]2CCN(c3cccc4[nH]ccc43)CC2)CC[NH2+]1 ZINC000530247393 301033749 /nfs/dbraw/zinc/03/37/49/301033749.db2.gz RNXYSFMFNQDBLC-HOTGVXAUSA-N 2 0 312.461 2.678 20 0 DFADRP c1nc(C2CC2)sc1C[NH+]1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000530248732 301034224 /nfs/dbraw/zinc/03/42/24/301034224.db2.gz OQHSNGWYPUUCCG-OAHLLOKOSA-N 2 0 321.490 2.611 20 0 DFADRP C[C@@H]1CC[N@H+](CCN[C@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)C1 ZINC000531728248 301106590 /nfs/dbraw/zinc/10/65/90/301106590.db2.gz KMOOMZDTRPFIOR-GGPKGHCWSA-N 2 0 315.505 2.971 20 0 DFADRP CC[N@@H+]1CC[C@H](C[NH2+][C@H](C)c2ccc3c(c2)CCC(=O)N3)C1 ZINC000531954935 301121180 /nfs/dbraw/zinc/12/11/80/301121180.db2.gz IKVLAAYNQNNNFF-ZIAGYGMSSA-N 2 0 301.434 2.564 20 0 DFADRP C[NH+]1CCN(CCC[NH2+][C@@H]2CCc3c2cccc3Cl)CC1 ZINC000532200497 301136643 /nfs/dbraw/zinc/13/66/43/301136643.db2.gz PSWVGBOBMWSNAZ-QGZVFWFLSA-N 2 0 307.869 2.554 20 0 DFADRP C[NH+]1CCN(CCC[NH2+][C@@H](CC2CC2)c2ccccc2)CC1 ZINC000532200881 301136706 /nfs/dbraw/zinc/13/67/06/301136706.db2.gz PYYMKGCSTQRRDF-IBGZPJMESA-N 2 0 301.478 2.755 20 0 DFADRP C[C@H](C[NH2+][C@@H]1CCc2c1cccc2Cl)CN1CC[NH+](C)CC1 ZINC000532216430 301136901 /nfs/dbraw/zinc/13/69/01/301136901.db2.gz QCTFXSFLVRKRQV-RDTXWAMCSA-N 2 0 321.896 2.800 20 0 DFADRP CCN1CCC[C@@H]([NH2+][C@H](C)c2ccc3c(c2)CCC(=O)N3)C1 ZINC000532212368 301137190 /nfs/dbraw/zinc/13/71/90/301137190.db2.gz DFLZQRDDSHHXCT-CZUORRHYSA-N 2 0 301.434 2.706 20 0 DFADRP CC[C@@H]1CCC[C@H]1[NH2+]Cc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000532451981 301153531 /nfs/dbraw/zinc/15/35/31/301153531.db2.gz NBDUSDFEBZXWKQ-IAGOWNOFSA-N 2 0 302.466 2.502 20 0 DFADRP CC[C@H](C)[C@@H](C)[NH2+][C@H](CN1CC[NH+](C)CC1)c1ccccc1 ZINC000532497879 301155883 /nfs/dbraw/zinc/15/58/83/301155883.db2.gz XZGYXCQXQIXKOI-YQVWRLOYSA-N 2 0 303.494 2.999 20 0 DFADRP C[C@H]1CC[N@H+](CCNC2CC[NH+]([C@H]3CCC[C@@H](C)C3)CC2)C1 ZINC000532531759 301159059 /nfs/dbraw/zinc/15/90/59/301159059.db2.gz CLZAYBRWLHNTJU-AOIWGVFYSA-N 2 0 307.526 2.961 20 0 DFADRP CC[N@H+](CC(=O)NC[C@H](c1ccc(Cl)cc1)[NH+](C)C)C1CC1 ZINC000533089853 301185390 /nfs/dbraw/zinc/18/53/90/301185390.db2.gz DVZOAXDMUDASTD-MRXNPFEDSA-N 2 0 323.868 2.543 20 0 DFADRP Cc1cc(C)c2c(c1)[C@@H]([NH2+]CCOCC[NH+](C)C)CCCO2 ZINC000351504110 301210028 /nfs/dbraw/zinc/21/00/28/301210028.db2.gz UNENZRRJGFWAIS-KRWDZBQOSA-N 2 0 306.450 2.685 20 0 DFADRP CCCCc1noc([C@H](C)N2CC[C@H](c3nccn3C)C2)n1 ZINC000533865894 301214681 /nfs/dbraw/zinc/21/46/81/301214681.db2.gz GBPIVNDPXUCDND-STQMWFEESA-N 2 0 303.410 2.696 20 0 DFADRP Cn1ccnc1[C@H]1CCN(CC(=O)Nc2ccccc2Cl)C1 ZINC000533866735 301214971 /nfs/dbraw/zinc/21/49/71/301214971.db2.gz JTMLOOXEZCYUOE-LBPRGKRZSA-N 2 0 318.808 2.502 20 0 DFADRP CC(C)N1C[C@@H](C)[C@@H]([NH2+]C2CCC(O)(C(F)(F)F)CC2)C1 ZINC000536847834 301291716 /nfs/dbraw/zinc/29/17/16/301291716.db2.gz VXVXSBUWWMHOBR-ZIHBUVQPSA-N 2 0 308.388 2.541 20 0 DFADRP CC[C@H]1CCC[C@@H]1[NH2+]Cc1ccc(C(=O)NCC[NH+](C)C)cc1 ZINC000539072687 301337918 /nfs/dbraw/zinc/33/79/18/301337918.db2.gz ZWYHSCVEXNSNGO-WMZOPIPTSA-N 2 0 317.477 2.646 20 0 DFADRP CC[N@@H+]1CC[C@H]([NH2+]CCc2ccc(F)c(F)c2F)[C@@H](C)C1 ZINC000541571819 301389963 /nfs/dbraw/zinc/38/99/63/301389963.db2.gz UKIBQHSGEBQXCU-FZMZJTMJSA-N 2 0 300.368 2.966 20 0 DFADRP CC(C)[C@H]1CC[C@@H]1[NH2+]CC1(N2CCCCC2)CC[NH+](C)CC1 ZINC000552043303 301678336 /nfs/dbraw/zinc/67/83/36/301678336.db2.gz GYSQBYJBUHFWPB-MSOLQXFVSA-N 2 0 307.526 2.961 20 0 DFADRP C[NH+](C)CCN(CC[NH+](C)C)Cc1ccc(C2CCC2)cc1 ZINC000552242881 301687487 /nfs/dbraw/zinc/68/74/87/301687487.db2.gz HMCZWNSWWRYKRT-UHFFFAOYSA-N 2 0 303.494 2.879 20 0 DFADRP CC1=CCC[C@H](C)[C@H]1C[NH2+]CC(=O)NCC[NH+]1CCCCCC1 ZINC000552279557 301688693 /nfs/dbraw/zinc/68/86/93/301688693.db2.gz RYNLGUWEHINCET-ROUUACIJSA-N 2 0 321.509 2.561 20 0 DFADRP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@H]2CCCC23CCCC3)CC1 ZINC000556076842 301784087 /nfs/dbraw/zinc/78/40/87/301784087.db2.gz RXILDOFLCFLXOH-MSOLQXFVSA-N 2 0 307.526 2.963 20 0 DFADRP COc1cc([C@H](C)[NH2+]CCCC[NH+]2C[C@@H](C)O[C@H](C)C2)ccn1 ZINC000559917488 301878697 /nfs/dbraw/zinc/87/86/97/301878697.db2.gz PUKYXZBMLWDNFG-OAGGEKHMSA-N 2 0 321.465 2.630 20 0 DFADRP C[C@@H]1C[C@H](C)N(Cc2cnc([C@H]3CCCO3)s2)C[C@@H]1C[NH3+] ZINC000562955489 302017610 /nfs/dbraw/zinc/01/76/10/302017610.db2.gz YWEIYDIEUJCHKP-UKTARXLSSA-N 2 0 309.479 2.800 20 0 DFADRP C[C@@H]([NH2+]CCc1nc(C(F)(F)F)cs1)[C@@H]1CCC[NH2+]C1 ZINC000562958958 302018449 /nfs/dbraw/zinc/01/84/49/302018449.db2.gz GDISFHLASRJWQC-NXEZZACHSA-N 2 0 307.385 2.682 20 0 DFADRP [NH3+]C[C@H]1CCCC[C@@H]1[NH2+]CCc1nc(-c2ccncc2)cs1 ZINC000562960438 302018783 /nfs/dbraw/zinc/01/87/83/302018783.db2.gz XXENWZIUQSSERO-CABCVRRESA-N 2 0 316.474 2.855 20 0 DFADRP Cc1ccc(C[NH+]2CCSCC2)cc1NC(=O)CCCC[NH3+] ZINC000563064047 302032955 /nfs/dbraw/zinc/03/29/55/302032955.db2.gz PIWJRSKYLOCDHG-UHFFFAOYSA-N 2 0 321.490 2.611 20 0 DFADRP Cc1cc(NC(=O)N[C@@]2(C)CC[N@H+](Cc3ccccc3)C2)ccn1 ZINC000563226253 302052339 /nfs/dbraw/zinc/05/23/39/302052339.db2.gz WIEMKGKEGMYLRW-IBGZPJMESA-N 2 0 324.428 2.598 20 0 DFADRP C[C@H]1C[NH+](CCSCC[N@H+](C)Cc2ccccc2)C[C@H](C)O1 ZINC000563437749 302073363 /nfs/dbraw/zinc/07/33/63/302073363.db2.gz BTFSZRUOEWRLFQ-IRXDYDNUSA-N 2 0 322.518 2.961 20 0 DFADRP COc1cc2c(c(C[NH2+]Cc3ccc(C[NH3+])cc3)c1)O[C@H](C)C2 ZINC000563887971 302105956 /nfs/dbraw/zinc/10/59/56/302105956.db2.gz LIMSNQXQBONLGF-CYBMUJFWSA-N 2 0 312.413 2.767 20 0 DFADRP Cc1ccc(C)c(OC[C@H](O)C[NH2+][C@@H](C)C(C)(C)C[NH+](C)C)c1 ZINC000564319860 302128352 /nfs/dbraw/zinc/12/83/52/302128352.db2.gz QHRSVHKTZDFLIB-DLBZAZTESA-N 2 0 322.493 2.609 20 0 DFADRP [NH3+]C1CCC([NH2+]CCc2cnc(SC3CCCC3)nc2)CC1 ZINC000564440494 302134783 /nfs/dbraw/zinc/13/47/83/302134783.db2.gz MTUQZZIJOWMESE-UHFFFAOYSA-N 2 0 320.506 2.913 20 0 DFADRP CC1(C)C[NH2+]CC[C@@H]1NC(=O)CC[C@H]([NH3+])CC1CCCCC1 ZINC000564441457 302134892 /nfs/dbraw/zinc/13/48/92/302134892.db2.gz GPKNGXDDSXLTCI-HOTGVXAUSA-N 2 0 309.498 2.569 20 0 DFADRP C[C@@H]([NH2+]CC1CC[NH+](C)CC1)c1ccc(Br)cn1 ZINC000564779509 302157963 /nfs/dbraw/zinc/15/79/63/302157963.db2.gz UDIKSWGBIYPLCP-LLVKDONJSA-N 2 0 312.255 2.837 20 0 DFADRP C[C@@H]([NH2+][C@@H](C)c1ccc2c(c1)C(C)(C)C(=O)N2)[C@H]1CCC[NH2+]C1 ZINC000564822587 302161047 /nfs/dbraw/zinc/16/10/47/302161047.db2.gz RIQPPOMQGXCCRP-GUTXKFCHSA-N 2 0 315.461 2.955 20 0 DFADRP C[C@H]([NH2+][C@@H](C)[C@H]1CCC[NH2+]C1)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000564822591 302161235 /nfs/dbraw/zinc/16/12/35/302161235.db2.gz RIQPPOMQGXCCRP-YDHLFZDLSA-N 2 0 315.461 2.955 20 0 DFADRP C[C@H](CC[NH+](C)C)[NH2+]C[C@@H](O)COc1ccc(C(C)(C)C)cc1 ZINC000564857065 302165133 /nfs/dbraw/zinc/16/51/33/302165133.db2.gz QLIPGLQVZXYSJR-NVXWUHKLSA-N 2 0 322.493 2.654 20 0 DFADRP C[C@H](CC[NH+](C)C)[NH2+]C[C@H](O)Cc1ccccc1C(F)(F)F ZINC000564855761 302165184 /nfs/dbraw/zinc/16/51/84/302165184.db2.gz HGAKGZHMQWAIQS-TZMCWYRMSA-N 2 0 318.383 2.539 20 0 DFADRP Cc1cc(C[NH+](C)C)cc(NC(=O)c2ccccc2CC[NH3+])c1 ZINC000565150895 302197677 /nfs/dbraw/zinc/19/76/77/302197677.db2.gz MMNLJIMZRZKOGG-UHFFFAOYSA-N 2 0 311.429 2.810 20 0 DFADRP CC[N@H+](C)C[C@H](O)C[NH+]1CC[C@](C)(CCc2ccccc2)C1 ZINC000565155533 302198724 /nfs/dbraw/zinc/19/87/24/302198724.db2.gz GHJWTQMSFBNBAY-OALUTQOASA-N 2 0 304.478 2.644 20 0 DFADRP C[C@@H]1C[C@@H](NC2CC([NH+](C)C)C2)CC[N@@H+]1Cc1ccccc1 ZINC000565218805 302208910 /nfs/dbraw/zinc/20/89/10/302208910.db2.gz PCKPQNRBTDVMCO-SVUBNXHSSA-N 2 0 301.478 2.722 20 0 DFADRP [NH3+]C1C[C@H]2CCC[C@@H](C1)C2[NH2+][C@@H]1CCN[C@H](c2ccccc2)C1 ZINC000565409410 302223345 /nfs/dbraw/zinc/22/33/45/302223345.db2.gz HCDGXYRICRULIG-PFDJBOQJSA-N 2 0 313.489 2.975 20 0 DFADRP [NH3+]C1C[C@H]2CCC[C@@H](C1)C2[NH2+][C@@H]1CCN[C@@H](c2ccccc2)C1 ZINC000565409412 302223464 /nfs/dbraw/zinc/22/34/64/302223464.db2.gz HCDGXYRICRULIG-XDZNWWHASA-N 2 0 313.489 2.975 20 0 DFADRP CCOc1ccc(CN(C[C@H](O)C[N@H+](C)CC)C(C)C)cc1 ZINC000565841598 302244391 /nfs/dbraw/zinc/24/43/91/302244391.db2.gz GCKMCOGYVRFYIP-QGZVFWFLSA-N 2 0 308.466 2.608 20 0 DFADRP CCN(C(=O)CCCC[NH3+])[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000565890562 302247517 /nfs/dbraw/zinc/24/75/17/302247517.db2.gz UJYLNBGYVVPHAP-SJLPKXTDSA-N 2 0 317.477 2.799 20 0 DFADRP Cc1cccc(NC(=O)C[C@H](C)[NH2+][C@H](C)[C@H]2CCC[NH2+]C2)c1 ZINC000566087975 302257947 /nfs/dbraw/zinc/25/79/47/302257947.db2.gz IJZCIOSTTMHMEC-XHSDSOJGSA-N 2 0 303.450 2.690 20 0 DFADRP CCOC(=O)[C@H]1CC[C@H]([NH2+]CC2CC[NH2+]CC2)c2ccccc21 ZINC000566087982 302258190 /nfs/dbraw/zinc/25/81/90/302258190.db2.gz JCVYSXHYJGGHJO-ROUUACIJSA-N 2 0 316.445 2.757 20 0 DFADRP C[C@H](C[NH2+]C[C@@H](O)CCc1ccccc1)C[NH+]1CCCCC1 ZINC000566106371 302260222 /nfs/dbraw/zinc/26/02/22/302260222.db2.gz NSZAWUCLZNBWQE-MJGOQNOKSA-N 2 0 304.478 2.692 20 0 DFADRP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+][C@@H]2CO[C@H](C)C2)CC1 ZINC000566219514 302268093 /nfs/dbraw/zinc/26/80/93/302268093.db2.gz DLKSJLPBRWWERZ-MDZRGWNJSA-N 2 0 302.462 2.849 20 0 DFADRP CCN(CC[NH+]1CCCCCC1)C(=O)C[C@@H](C)n1ccnc1 ZINC000566308662 302278486 /nfs/dbraw/zinc/27/84/86/302278486.db2.gz JVCLLUZFZQMLSZ-MRXNPFEDSA-N 2 0 306.454 2.559 20 0 DFADRP Cc1ccc(C[NH+](C)C)cc1NC(=O)C[N@@H+]1CCC(C)(C)C1 ZINC000566442101 302287054 /nfs/dbraw/zinc/28/70/54/302287054.db2.gz CAXTXURQTFVNSK-UHFFFAOYSA-N 2 0 303.450 2.727 20 0 DFADRP CO[C@@H]1CC[NH+](CCCC[N@H+]2CC[C@H](OC)C[C@H]2C)[C@@H](C)C1 ZINC000567064078 302333107 /nfs/dbraw/zinc/33/31/07/302333107.db2.gz TWUBXXWEDDIMMR-FZDBZEDMSA-N 2 0 312.498 2.765 20 0 DFADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+][C@@H]1[C@H]2CCO[C@H]2C12CCCC2 ZINC000567102851 302335698 /nfs/dbraw/zinc/33/56/98/302335698.db2.gz XKNRRFWTCUNCEV-OKDNKWQNSA-N 2 0 315.461 2.847 20 0 DFADRP Cc1ccc(OC[C@H](O)C[NH2+][C@H](C)C(C)(C)C[NH+](C)C)c(C)c1 ZINC000567104580 302336046 /nfs/dbraw/zinc/33/60/46/302336046.db2.gz VKOHIFXVRQUTFN-IAGOWNOFSA-N 2 0 322.493 2.609 20 0 DFADRP Cc1ccc(OC[C@@H](O)C[NH2+][C@@H](C)C(C)(C)C[NH+](C)C)c(C)c1 ZINC000567104581 302336086 /nfs/dbraw/zinc/33/60/86/302336086.db2.gz VKOHIFXVRQUTFN-IRXDYDNUSA-N 2 0 322.493 2.609 20 0 DFADRP CC1(C)CCC[N@H+](CCNC(=O)Nc2ccc3c(c2)C[NH2+]C3)C1 ZINC000567144929 302339522 /nfs/dbraw/zinc/33/95/22/302339522.db2.gz UCEBGWRNWMPENJ-UHFFFAOYSA-N 2 0 316.449 2.533 20 0 DFADRP C[C@H](CNC(=O)CC[C@@H]([NH3+])CC1CCCCC1)[NH+]1CCCC1 ZINC000567164807 302341244 /nfs/dbraw/zinc/34/12/44/302341244.db2.gz XLYIKSOGZVOGHU-NVXWUHKLSA-N 2 0 309.498 2.665 20 0 DFADRP C[C@H](C[NH2+]CCC(=O)Nc1ccccc1)C[NH+]1CCCCC1 ZINC000567678290 302378405 /nfs/dbraw/zinc/37/84/05/302378405.db2.gz OZXWAZDJBBEMQG-MRXNPFEDSA-N 2 0 303.450 2.727 20 0 DFADRP C[NH+](C)CCCN(CCC[NH+](C)C)Cc1cccc(F)c1F ZINC000567793185 302389604 /nfs/dbraw/zinc/38/96/04/302389604.db2.gz DPWRLSQHEVMHMZ-UHFFFAOYSA-N 2 0 313.436 2.670 20 0 DFADRP C[C@@H]1C[C@@H]([NH2+][C@H]2CCN(Cc3ccccc3)C3(CC3)C2)CO1 ZINC000567853431 302393024 /nfs/dbraw/zinc/39/30/24/302393024.db2.gz AWJBXGMAPXCCCB-BPQIPLTHSA-N 2 0 300.446 2.951 20 0 DFADRP CC[C@H](C)[N@H+](C)CCNC(=O)C(C)(C)[C@@H]([NH3+])c1ccccc1 ZINC000567894141 302397029 /nfs/dbraw/zinc/39/70/29/302397029.db2.gz MHLZVURBVJBMRC-HOCLYGCPSA-N 2 0 305.466 2.559 20 0 DFADRP CC[C@@H](C)[N@H+](C)CCNC(=O)C(C)(C)[C@@H]([NH3+])c1ccccc1 ZINC000567894142 302397270 /nfs/dbraw/zinc/39/72/70/302397270.db2.gz MHLZVURBVJBMRC-ZBFHGGJFSA-N 2 0 305.466 2.559 20 0 DFADRP CC[C@H](C)[N@H+](C)CCNC(=O)C(C)(C)[C@H]([NH3+])c1ccccc1 ZINC000567894140 302397336 /nfs/dbraw/zinc/39/73/36/302397336.db2.gz MHLZVURBVJBMRC-GOEBONIOSA-N 2 0 305.466 2.559 20 0 DFADRP CC(C)c1[nH+]c(CN2C[C@H](C)[C@H]([NH+](C)C)C2)c2ccccn21 ZINC000568033638 302412075 /nfs/dbraw/zinc/41/20/75/302412075.db2.gz UOHHIRGQHUQRSG-WMLDXEAASA-N 2 0 300.450 2.840 20 0 DFADRP Fc1ccc(N2CCC([NH2+]CC3CC[NH2+]CC3)CC2)c(F)c1 ZINC000570077147 302555097 /nfs/dbraw/zinc/55/50/97/302555097.db2.gz FCYMRPROZRVEEA-UHFFFAOYSA-N 2 0 309.404 2.523 20 0 DFADRP [NH3+]C1C[C@H]2CCC[C@@H](C1)C2[NH2+]Cc1cnc([C@H]2CCCO2)s1 ZINC000571742909 302631596 /nfs/dbraw/zinc/63/15/96/302631596.db2.gz URMOSCVJBQLYJM-PRAKJRAUSA-N 2 0 321.490 2.990 20 0 DFADRP [NH3+][C@@H]1CCC[C@H]([NH2+][C@@H](CCO)c2cccc(C(F)(F)F)c2)C1 ZINC000572135427 302645750 /nfs/dbraw/zinc/64/57/50/302645750.db2.gz YIQFJFWSONJOQI-ILXRZTDVSA-N 2 0 316.367 2.988 20 0 DFADRP C[C@@H]([NH2+]Cc1ccc(OCC(F)(F)F)nc1)[C@H]1CCC[NH2+]C1 ZINC000572970071 302686962 /nfs/dbraw/zinc/68/69/62/302686962.db2.gz IFXQKCMMUNIOOH-YPMHNXCESA-N 2 0 317.355 2.500 20 0 DFADRP Clc1cccc(-c2noc(CC[NH2+][C@H]3CCC[NH2+]CC3)n2)c1 ZINC000572990656 302688045 /nfs/dbraw/zinc/68/80/45/302688045.db2.gz ZABVNWIWSKBWHE-AWEZNQCLSA-N 2 0 320.824 2.664 20 0 DFADRP COC1CCC([NH2+]Cc2cn(-c3cc[nH+]cc3)nc2C)CC1 ZINC000573685838 302717915 /nfs/dbraw/zinc/71/79/15/302717915.db2.gz OAPAJIATUIEDTL-UHFFFAOYSA-N 2 0 300.406 2.623 20 0 DFADRP [NH3+]C[C@@H]1CC[C@H]([NH2+][C@@H]2CCCc3nn(-c4ccccc4)cc32)C1 ZINC000573953157 302732565 /nfs/dbraw/zinc/73/25/65/302732565.db2.gz LJKVFQMVYWUIJT-RVKKMQEKSA-N 2 0 310.445 2.967 20 0 DFADRP [NH3+]C1(C(=O)NCC2([NH+]3CCCCC3)CCCCC2)CCCC1 ZINC000237909628 303354978 /nfs/dbraw/zinc/35/49/78/303354978.db2.gz CZBIFCLSOVZPFT-UHFFFAOYSA-N 2 0 307.482 2.563 20 0 DFADRP [NH3+]CCCC[NH2+][C@@H]1CCCOc2cc(Br)ccc21 ZINC000037715538 303375813 /nfs/dbraw/zinc/37/58/13/303375813.db2.gz ICTKADGBLLJYJY-CYBMUJFWSA-N 2 0 313.239 2.991 20 0 DFADRP Cc1ccc2c(c1)[C@H]([NH2+]CCCC[NH+]1CCN(C)CC1)CCC2 ZINC000166146497 315890266 /nfs/dbraw/zinc/89/02/66/315890266.db2.gz NVWRZMXGHFGYTP-HXUWFJFHSA-N 2 0 315.505 2.990 20 0 DFADRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)NCC[C@@H](C)[NH+]1CCCCC1 ZINC000182234099 316092093 /nfs/dbraw/zinc/09/20/93/316092093.db2.gz SSSOOKCXDAVXFA-IAGOWNOFSA-N 2 0 309.498 2.630 20 0 DFADRP COC[C@H]([NH2+]CCC[N@H+](C)Cc1ccccc1)C1CCOCC1 ZINC000187710956 316213509 /nfs/dbraw/zinc/21/35/09/316213509.db2.gz NWEPCUGZNCEUGR-IBGZPJMESA-N 2 0 320.477 2.540 20 0 DFADRP C[C@H](CC(=O)Nc1ccc(C[NH+](C)C)cc1)[C@H]1CCC[NH2+]C1 ZINC000317302894 316247911 /nfs/dbraw/zinc/24/79/11/316247911.db2.gz XDPQJORJCXWDOM-ZBFHGGJFSA-N 2 0 303.450 2.713 20 0 DFADRP CC[NH+](CC)[C@@H](CNC(=O)[C@@H]1CCCCC[NH2+]1)c1ccccc1 ZINC000321941631 316257634 /nfs/dbraw/zinc/25/76/34/316257634.db2.gz BJAMSVMEHQHPEW-ROUUACIJSA-N 2 0 317.477 2.718 20 0 DFADRP C[C@@H]1C[N@@H+]2CCCC[C@@H]2CN1C(=O)CC[C@@H]([NH3+])c1ccccc1 ZINC000322156148 316258174 /nfs/dbraw/zinc/25/81/74/316258174.db2.gz ALABXJCUVCIYGG-KBAYOESNSA-N 2 0 315.461 2.552 20 0 DFADRP C[C@H](CCc1ccsc1)[NH2+][C@H](C)CCN1CC[NH+](C)CC1 ZINC000349401569 316356503 /nfs/dbraw/zinc/35/65/03/316356503.db2.gz DWMSZTCPOZPDMD-HZPDHXFCSA-N 2 0 309.523 2.685 20 0 DFADRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+][C@H]1CCc2ccc(Cl)cc21 ZINC000349406922 316357268 /nfs/dbraw/zinc/35/72/68/316357268.db2.gz IJMZNFSAKOZJMR-KDOFPFPSSA-N 2 0 321.896 2.943 20 0 DFADRP C[C@H]1C[C@H](C[NH+]2CCC(N(C)c3ccccc3)CC2)CC[NH2+]1 ZINC000414712650 316636811 /nfs/dbraw/zinc/63/68/11/316636811.db2.gz SVXUFTZGMBIHFV-DLBZAZTESA-N 2 0 301.478 2.975 20 0 DFADRP C[C@H]1C[C@H](C[NH+]2CCC(N3CCc4ccccc43)CC2)CC[NH2+]1 ZINC000414760421 316648403 /nfs/dbraw/zinc/64/84/03/316648403.db2.gz YQKYSQQQNWAAHN-DLBZAZTESA-N 2 0 313.489 2.902 20 0 DFADRP [NH3+][C@@H]1CCO[C@H]1C1CC[NH+](Cc2cnc(C3CCC3)s2)CC1 ZINC000414776073 316651314 /nfs/dbraw/zinc/65/13/14/316651314.db2.gz CYGAQFSKAKFOFB-CVEARBPZSA-N 2 0 321.490 2.739 20 0 DFADRP C[C@H](Cc1ccccc1)C[NH+]1CCC([C@@H]2OCC[C@H]2[NH3+])CC1 ZINC000414776738 316651498 /nfs/dbraw/zinc/65/14/98/316651498.db2.gz NZETWMISYWBQFP-LZQZEXGQSA-N 2 0 302.462 2.693 20 0 DFADRP COc1ccc(C[NH+]2CCC([C@@H]3OCC[C@H]3[NH3+])CC2)cc1Cl ZINC000414778161 316652168 /nfs/dbraw/zinc/65/21/68/316652168.db2.gz GLUWJCSZYCZQHP-WBVHZDCISA-N 2 0 324.852 2.677 20 0 DFADRP CCCc1cccc(C[NH+]2CCC([C@@H]3OCC[C@H]3[NH3+])CC2)c1 ZINC000414780896 316653323 /nfs/dbraw/zinc/65/33/23/316653323.db2.gz URPMRWMCIJMGSL-MOPGFXCFSA-N 2 0 302.462 2.967 20 0 DFADRP COc1ccc(Br)cc1C[NH2+][C@@H]1CCC[C@H]1C[NH3+] ZINC000414791573 316659336 /nfs/dbraw/zinc/65/93/36/316659336.db2.gz HYGPHSIDKHRGIP-GXFFZTMASA-N 2 0 313.239 2.675 20 0 DFADRP Fc1ccc(-c2n[nH]cc2C[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000414808279 316664330 /nfs/dbraw/zinc/66/43/30/316664330.db2.gz FACDHFYPGFELOQ-XYPWUTKMSA-N 2 0 300.381 2.588 20 0 DFADRP CCCOc1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1OC ZINC000414807099 316664465 /nfs/dbraw/zinc/66/44/65/316664465.db2.gz CFZFKJFIKRSLJY-XYPWUTKMSA-N 2 0 304.434 2.857 20 0 DFADRP COc1cc(C[NH2+][C@@H]2CCCC[C@H]2C[NH3+])cc(Cl)c1OC ZINC000414811798 316664815 /nfs/dbraw/zinc/66/48/15/316664815.db2.gz WOPTVYZGLFPXFK-GXTWGEPZSA-N 2 0 312.841 2.964 20 0 DFADRP COCCC[NH+]1CCC([NH2+][C@@H](C)C2(OC)CCCCC2)CC1 ZINC000421824503 316769985 /nfs/dbraw/zinc/76/99/85/316769985.db2.gz JBRRJCNGUWUAMK-INIZCTEOSA-N 2 0 312.498 2.815 20 0 DFADRP COC1([C@H](C)[NH2+]C2CC[NH+](C[C@H]3CCOC3)CC2)CCCCC1 ZINC000421829835 316770720 /nfs/dbraw/zinc/77/07/20/316770720.db2.gz JADDEDBZXHWRGM-DLBZAZTESA-N 2 0 324.509 2.815 20 0 DFADRP O=C(Nc1ccc2c(c1)C[NH2+]C2)[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000449667098 317049611 /nfs/dbraw/zinc/04/96/11/317049611.db2.gz FQLYPXQDOGTSNA-IBGZPJMESA-N 2 0 321.424 2.893 20 0 DFADRP C[C@H](O)CC[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000450500754 317099501 /nfs/dbraw/zinc/09/95/01/317099501.db2.gz LZEZPLZBXDJJLG-YTQUADARSA-N 2 0 302.462 2.744 20 0 DFADRP C[NH+]1CCC(C)(CNC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)CC1 ZINC000450504565 317101129 /nfs/dbraw/zinc/10/11/29/317101129.db2.gz YOFDQYDRPPHUMT-KRWDZBQOSA-N 2 0 321.509 2.632 20 0 DFADRP c1cnn(CC[NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@@H]3CCC[C@H]32)c1 ZINC000453140544 317164696 /nfs/dbraw/zinc/16/46/96/317164696.db2.gz QJFRVCIJTWABMX-SLFFLAALSA-N 2 0 324.472 2.916 20 0 DFADRP CC(C)[C@@H](Cn1cccn1)[NH2+]C1CC[NH+](C2CCCC2)CC1 ZINC000453148494 317165790 /nfs/dbraw/zinc/16/57/90/317165790.db2.gz ZCIRDKMEXMXCMP-GOSISDBHSA-N 2 0 304.482 2.904 20 0 DFADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@H](O)C1CCC1 ZINC000453370080 317181573 /nfs/dbraw/zinc/18/15/73/317181573.db2.gz FKMVMLULXCJOBF-LZQZEXGQSA-N 2 0 302.462 2.648 20 0 DFADRP C[N@@H+]1CCC[C@H](CCNC(=O)[C@H]2CCCC[NH+]2C2CCCC2)C1 ZINC000458236532 317269942 /nfs/dbraw/zinc/26/99/42/317269942.db2.gz YJNXMWAYPQSZND-SJLPKXTDSA-N 2 0 321.509 2.632 20 0 DFADRP C[C@H]1CN(C2CC2)C[C@@H]1[NH2+]C[C@@H]1CCO[C@H]1c1ccccc1 ZINC000486424613 317342166 /nfs/dbraw/zinc/34/21/66/317342166.db2.gz FZAZXTXSNQQVMJ-CBVHJVASSA-N 2 0 300.446 2.837 20 0 DFADRP C[NH+]1CCN(CCC(C)(C)[NH2+]Cc2sccc2Cl)CC1 ZINC000487561563 317348074 /nfs/dbraw/zinc/34/80/74/317348074.db2.gz QWDVGACMEAZSOE-UHFFFAOYSA-N 2 0 315.914 2.907 20 0 DFADRP C[C@H]1C[C@H]1C[NH2+]CCCC[NH+]1CCN(Cc2ccccc2)CC1 ZINC000488410079 317390748 /nfs/dbraw/zinc/39/07/48/317390748.db2.gz HZRMTQCSOFETTP-ICSRJNTNSA-N 2 0 315.505 2.830 20 0 DFADRP CC[NH+]1CCN(CCC[NH2+][C@@H]2CS[C@@H](C(C)(C)C)C2)CC1 ZINC000488414219 317391200 /nfs/dbraw/zinc/39/12/00/317391200.db2.gz NEFPXGAROYVWGL-JKSUJKDBSA-N 2 0 313.555 2.524 20 0 DFADRP CC(C)(C)[C@@H]1C[C@H]([NH2+]CCCC[NH+]2CCOCC2)CS1 ZINC000488449754 317394740 /nfs/dbraw/zinc/39/47/40/317394740.db2.gz OUPNPIVPQFSANV-GJZGRUSLSA-N 2 0 300.512 2.609 20 0 DFADRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+][C@@H]1CS[C@H](C(C)(C)C)C1 ZINC000488542224 317402111 /nfs/dbraw/zinc/40/21/11/317402111.db2.gz JOTUFCAXHUXTSR-PMPSAXMXSA-N 2 0 313.555 2.522 20 0 DFADRP C[C@@H](c1cccc(F)c1)[NH+]1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000530242517 317778155 /nfs/dbraw/zinc/77/81/55/317778155.db2.gz UKVFNZVAEBNKHP-KBXCAEBGSA-N 2 0 306.425 2.977 20 0 DFADRP CSC1(C[NH2+][C@H](C)c2cn3ccccc3n2)CC[NH+](C)CC1 ZINC000566475673 317951198 /nfs/dbraw/zinc/95/11/98/317951198.db2.gz NUARSBGAAUYAFS-CQSZACIVSA-N 2 0 318.490 2.812 20 0 DFADRP C[C@H](C[NH2+][C@H]1CCC[C@H]([NH3+])C1)c1nc(-c2ccccc2)no1 ZINC000566482071 317951857 /nfs/dbraw/zinc/95/18/57/317951857.db2.gz RRTKKGDUQXXLLJ-SNPRPXQTSA-N 2 0 300.406 2.700 20 0 DFADRP [NH3+][C@H]1CCC[C@H](Nc2cccc(C[NH+]3CCSCC3)c2)C1 ZINC000573020616 318011593 /nfs/dbraw/zinc/01/15/93/318011593.db2.gz QFOFADKFNXEACE-RDJZCZTQSA-N 2 0 305.491 2.917 20 0 DFADRP CC1CCC(O)(C[NH2+]Cc2ccc(OCC[NH+](C)C)cc2)CC1 ZINC000574869594 318046145 /nfs/dbraw/zinc/04/61/45/318046145.db2.gz XHPJRARDEUZNIY-UHFFFAOYSA-N 2 0 320.477 2.658 20 0 DFADRP C[C@H](CC[NH+](C)C)[NH2+]C[C@H](O)Cc1ccc(C(F)(F)F)cc1 ZINC000575917060 318091473 /nfs/dbraw/zinc/09/14/73/318091473.db2.gz HHZHFYHAUWJXQS-IUODEOHRSA-N 2 0 318.383 2.539 20 0 DFADRP [NH3+]C1C[C@H]2CCC[C@@H](C1)C2[NH2+]Cc1cc2ccccc2[nH]c1=O ZINC000575970342 318094882 /nfs/dbraw/zinc/09/48/82/318094882.db2.gz CELWOLPKSHLOTD-BDQJQXKSSA-N 2 0 311.429 2.936 20 0 DFADRP CN(CCC[NH3+])Cc1cc(Cl)ccc1OC[C@H]1CCCO1 ZINC000575988794 318096639 /nfs/dbraw/zinc/09/66/39/318096639.db2.gz ZKUDAKFKBBKBMS-OAHLLOKOSA-N 2 0 312.841 2.678 20 0 DFADRP CC(C)C[N@@H+]1CC[C@H](C[NH2+]C[C@H](O)Cc2cccc(Cl)c2)C1 ZINC000576030479 318099318 /nfs/dbraw/zinc/09/93/18/318099318.db2.gz YIQZPNYMZZNBML-SJLPKXTDSA-N 2 0 324.896 2.811 20 0 DFADRP CCC[C@H]([NH3+])C(=O)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000576181778 318109208 /nfs/dbraw/zinc/10/92/08/318109208.db2.gz DOZOIDMITHLFAW-HOTGVXAUSA-N 2 0 323.868 2.721 20 0 DFADRP CCC[C@H]([NH3+])C(=O)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000576181780 318109264 /nfs/dbraw/zinc/10/92/64/318109264.db2.gz DOZOIDMITHLFAW-JKSUJKDBSA-N 2 0 323.868 2.721 20 0 DFADRP C[NH+](C)CC1(C[NH2+]C[C@H](O)Cc2cccc(Cl)c2)CCCC1 ZINC000576578609 318135318 /nfs/dbraw/zinc/13/53/18/318135318.db2.gz IPBWEAHSVQPTKG-QGZVFWFLSA-N 2 0 324.896 2.955 20 0 DFADRP CC(C)[NH2+]CCCNC(=O)c1oc2ccccc2c1C[NH+](C)C ZINC000576986496 318163932 /nfs/dbraw/zinc/16/39/32/318163932.db2.gz QHXOXHLSEBEMKM-UHFFFAOYSA-N 2 0 317.433 2.612 20 0 DFADRP C[NH+](C)CC[C@H]([NH2+]C[C@H](O)Cc1ccc(F)cc1)C(C)(C)C ZINC000577054820 318168035 /nfs/dbraw/zinc/16/80/35/318168035.db2.gz FGBZGAQCSLOTCI-SJORKVTESA-N 2 0 310.457 2.685 20 0 DFADRP Cc1ccc(C[NH2+]CCCC[NH+]2CCN(C)CC2)c(Cl)c1 ZINC000577225821 318179567 /nfs/dbraw/zinc/17/95/67/318179567.db2.gz YXDSSAOTFSCTSJ-UHFFFAOYSA-N 2 0 309.885 2.766 20 0 DFADRP CC(C)O[C@H]1C[C@H]([NH2+]Cc2cc(C3CC[NH2+]CC3)no2)C1(C)C ZINC000577274852 318182408 /nfs/dbraw/zinc/18/24/08/318182408.db2.gz WTGGQFXDVIBCLA-IRXDYDNUSA-N 2 0 321.465 2.823 20 0 DFADRP CCc1ccc([C@H](CN[C@@H](C)[C@@H]2CCC[NH2+]C2)[NH+](C)C)cc1 ZINC000577363131 318187838 /nfs/dbraw/zinc/18/78/38/318187838.db2.gz YJHOKZXJVGGLBJ-IPELMVKDSA-N 2 0 303.494 2.829 20 0 DFADRP C[N@H+](CCC[NH2+]C[C@H](O)Cc1ccccc1)Cc1ccccc1 ZINC000577500434 318197424 /nfs/dbraw/zinc/19/74/24/318197424.db2.gz JEOQXZHVCWXDER-HXUWFJFHSA-N 2 0 312.457 2.702 20 0 DFADRP Cc1nn(-c2cccc(F)c2)cc1C[NH+]1CCC(CC[NH3+])CC1 ZINC000577520212 318199280 /nfs/dbraw/zinc/19/92/80/318199280.db2.gz UJXRGPWKRQTUQV-UHFFFAOYSA-N 2 0 316.424 2.881 20 0 DFADRP C[C@@H](C[NH+](C)C)N[C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000577869541 318223376 /nfs/dbraw/zinc/22/33/76/318223376.db2.gz OVJBCBNIITZJHC-WMZOPIPTSA-N 2 0 301.478 2.723 20 0 DFADRP COc1ccc(CC[C@H](C)[NH2+]Cc2ccc(C[NH3+])cc2)cc1O ZINC000577952288 318228002 /nfs/dbraw/zinc/22/80/02/318228002.db2.gz BYXJIESHJZZQIV-AWEZNQCLSA-N 2 0 314.429 2.970 20 0 DFADRP C[C@@H]([NH2+]CC1(c2ccc(F)cc2)CCOCC1)[C@@H]1CCC[NH2+]C1 ZINC000578314060 318251846 /nfs/dbraw/zinc/25/18/46/318251846.db2.gz WZNFWCGAIRTHJS-HZPDHXFCSA-N 2 0 320.452 2.852 20 0 DFADRP CC[NH+](CC)CCC[C@H](C)NC(=O)[C@H]1CCCCCC[C@@H]1[NH3+] ZINC000578321028 318252603 /nfs/dbraw/zinc/25/26/03/318252603.db2.gz PWBUCPRDKJLERI-ULQDDVLXSA-N 2 0 311.514 2.911 20 0 DFADRP CC[NH+](CC)CCC[C@H](C)NC(=O)[C@@H]1CCCCCC[C@H]1[NH3+] ZINC000578321027 318252641 /nfs/dbraw/zinc/25/26/41/318252641.db2.gz PWBUCPRDKJLERI-GVDBMIGSSA-N 2 0 311.514 2.911 20 0 DFADRP C[C@H]([NH2+]CCC1CCN(CC(F)(F)F)CC1)[C@@H]1CCC[NH2+]C1 ZINC000578433957 318260509 /nfs/dbraw/zinc/26/05/09/318260509.db2.gz RPSCRDDDPNMZFA-DZGCQCFKSA-N 2 0 321.431 2.629 20 0 DFADRP Cn1ccnc1[C@H]1CC[N@H+](CCCCC(=O)OC(C)(C)C)C1 ZINC000578663647 318276895 /nfs/dbraw/zinc/27/68/95/318276895.db2.gz GKQBQPPHDKRCTL-AWEZNQCLSA-N 2 0 307.438 2.721 20 0 DFADRP C[C@@H](CNC(=O)Nc1ccc2c(c1)C[NH2+]C2)[N@@H+]1CCCC[C@H]1C ZINC000578728037 318280828 /nfs/dbraw/zinc/28/08/28/318280828.db2.gz WSTVETUAIOCIJS-KGLIPLIRSA-N 2 0 316.449 2.674 20 0 DFADRP C[NH+](C)[C@H](CNC(=O)[C@H]1CCC[C@@H]([NH3+])C1)c1ccc(Cl)cc1 ZINC000578745388 318282485 /nfs/dbraw/zinc/28/24/85/318282485.db2.gz RQGMOTKQJLGWEF-NUEKZKHPSA-N 2 0 323.868 2.576 20 0 DFADRP [NH3+]C[C@H](N[C@@H]1CC[NH2+][C@H](c2ccccc2)C1)C1CCCCC1 ZINC000578858304 318290239 /nfs/dbraw/zinc/29/02/39/318290239.db2.gz IABLDBMDVVYPKV-QYZOEREBSA-N 2 0 301.478 2.977 20 0 DFADRP Cc1cccc(NC(=O)C[C@@H](C)[NH2+]CCC[C@@H]2CCC[NH2+]2)c1 ZINC000578978853 318298973 /nfs/dbraw/zinc/29/89/73/318298973.db2.gz ASRLZHHBIYPXTQ-HZPDHXFCSA-N 2 0 303.450 2.834 20 0 DFADRP C[C@@H](c1ccccc1)[C@H](O)C[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000578981621 318299590 /nfs/dbraw/zinc/29/95/90/318299590.db2.gz PSCGQSYIIJUYGS-BYUNMRKYSA-N 2 0 302.462 2.756 20 0 DFADRP [NH3+][C@@H](CCC(=O)N1CC[C@@]2(C1)CCC[NH2+]C2)CC1CCCCC1 ZINC000579101296 318307160 /nfs/dbraw/zinc/30/71/60/318307160.db2.gz CVMHJXBHRCBSPV-HKUYNNGSSA-N 2 0 321.509 2.666 20 0 DFADRP C[N@@H+]1CCC[C@H](CNCc2cnccn2)[C@@H]1c1cccs1 ZINC000579325007 318322305 /nfs/dbraw/zinc/32/23/05/318322305.db2.gz GHAQDGDHMNIOSX-CZUORRHYSA-N 2 0 302.447 2.711 20 0 DFADRP C[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCCN(C(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC000579610817 318342924 /nfs/dbraw/zinc/34/29/24/318342924.db2.gz LAYALSMSHMDOGD-IXDOHACOSA-N 2 0 321.509 2.582 20 0 DFADRP Cc1c(Cl)cccc1NC(=O)CC[NH2+][C@@H]1CCC[C@@H]([NH3+])C1 ZINC000579613341 318343489 /nfs/dbraw/zinc/34/34/89/318343489.db2.gz MCBPVFUYNZPOOI-CHWSQXEVSA-N 2 0 309.841 2.837 20 0 DFADRP Cc1c(Cl)cccc1NC(=O)CC[NH2+][C@H]1CCC[C@@H]([NH3+])C1 ZINC000579613342 318343514 /nfs/dbraw/zinc/34/35/14/318343514.db2.gz MCBPVFUYNZPOOI-OLZOCXBDSA-N 2 0 309.841 2.837 20 0 DFADRP [NH3+]Cc1ccc(C[NH2+]C2CCN(CCc3ccccc3)CC2)cc1 ZINC000579719073 318349804 /nfs/dbraw/zinc/34/98/04/318349804.db2.gz SRAKKQCCZBSHTN-UHFFFAOYSA-N 2 0 323.484 2.942 20 0 DFADRP CC[NH+](CC)CCC[C@@H](C)NC(=O)c1ccccc1C[NH+](C)C ZINC000580024934 318369219 /nfs/dbraw/zinc/36/92/19/318369219.db2.gz MWHLUADIMABQFV-MRXNPFEDSA-N 2 0 319.493 2.989 20 0 DFADRP Cc1cc(C)n2c(CNCC[NH2+]C3CCCCCC3)cnc2n1 ZINC000580049368 318371540 /nfs/dbraw/zinc/37/15/40/318371540.db2.gz MBAUTGLQXGOBKO-UHFFFAOYSA-N 2 0 315.465 2.748 20 0 DFADRP C[C@H](CCc1n[nH]c2ccccc21)[NH2+][C@@H]1CCCC[C@H]1C[NH3+] ZINC000580168832 318380600 /nfs/dbraw/zinc/38/06/00/318380600.db2.gz MMUVJXXRMMWEIL-IJEWVQPXSA-N 2 0 300.450 2.991 20 0 DFADRP COCC1(CC[NH2+][C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)CC1 ZINC000580193315 318382379 /nfs/dbraw/zinc/38/23/79/318382379.db2.gz WENJRVQYXBERJD-QFBILLFUSA-N 2 0 316.445 2.649 20 0 DFADRP C[C@H](C[C@H](C)[NH3+])NC(=O)C1(C)CC[NH+](Cc2ccccc2)CC1 ZINC000580198776 318382757 /nfs/dbraw/zinc/38/27/57/318382757.db2.gz PLTFRPMWNWKWOZ-JKSUJKDBSA-N 2 0 317.477 2.531 20 0 DFADRP C[C@H](C[NH2+][C@@H]1CCC[C@H](NC(=O)OC(C)(C)C)C1)C[NH+](C)C ZINC000381878653 323295735 /nfs/dbraw/zinc/29/57/35/323295735.db2.gz NYBGBNGDPYVCDJ-KFWWJZLASA-N 2 0 313.486 2.610 20 0 DFADRP C[C@H]1CN(Cc2ccccc2)CCC[N@@H+]1CC[C@@H]1CC[NH2+]C1 ZINC000382719074 323301373 /nfs/dbraw/zinc/30/13/73/323301373.db2.gz JSBZYTIQIUDRJM-ROUUACIJSA-N 2 0 301.478 2.582 20 0 DFADRP C[C@H]1C[N@H+](Cc2ccccc2)CCCN1CC[NH2+]C(C)(C)C ZINC000382754588 323302441 /nfs/dbraw/zinc/30/24/41/323302441.db2.gz GKNGWZUSVXWTAZ-KRWDZBQOSA-N 2 0 303.494 2.971 20 0 DFADRP CCCN(CC[NH2+][C@@H]1CC[N@H+](C)C[C@H]1C)C(=O)OC(C)(C)C ZINC000382842210 323303495 /nfs/dbraw/zinc/30/34/95/323303495.db2.gz WFLKPCIRMMRURK-HUUCEWRRSA-N 2 0 313.486 2.563 20 0 DFADRP C[NH2+][C@H](CC(C)(C)C)C(=O)Nc1cccc(OCC[NH+](C)C)c1 ZINC000387611317 323326520 /nfs/dbraw/zinc/32/65/20/323326520.db2.gz YUJWNXPMLXPABT-MRXNPFEDSA-N 2 0 321.465 2.590 20 0 DFADRP CC[NH+](CC)CCC[C@H](C)NC(=O)[C@@H]1C[NH2+]Cc2ccccc21 ZINC000390913343 323343638 /nfs/dbraw/zinc/34/36/38/323343638.db2.gz ZSWMDLXHXAROBY-MAUKXSAKSA-N 2 0 317.477 2.500 20 0 DFADRP OC1(C(F)(F)F)CCC([NH2+]CCN2CCCCCC2)CC1 ZINC000396322984 323352552 /nfs/dbraw/zinc/35/25/52/323352552.db2.gz OLSITDLBWIPVCT-UHFFFAOYSA-N 2 0 308.388 2.688 20 0 DFADRP C[C@@H]([NH2+]CC1(O)CC[NH+](C)CC1)C12CC3CC(CC(C3)C1)C2 ZINC000397516366 323355201 /nfs/dbraw/zinc/35/52/01/323355201.db2.gz SDFODMXSBPLAIY-CZVCLPBNSA-N 2 0 306.494 2.638 20 0 DFADRP C[C@]1(CN[C@H]2CCC[C@@H]([NH3+])C2)CCC[N@@H+]1Cc1ccccc1 ZINC000398024895 323356411 /nfs/dbraw/zinc/35/64/11/323356411.db2.gz XRBPPDIDYCPPES-CEXWTWQISA-N 2 0 301.478 2.901 20 0 DFADRP Cn1cc([C@@H]([NH2+]C[C@H]2CC[C@H](C[NH3+])CC2)c2ccccc2)cn1 ZINC000580302286 323367187 /nfs/dbraw/zinc/36/71/87/323367187.db2.gz GKWWXURXNLWWDT-BXWFABGCSA-N 2 0 312.461 2.864 20 0 DFADRP C[N@H+](CCC[NH2+]CCC(=O)Nc1cccnc1)C1CCCCC1 ZINC000580388710 323377104 /nfs/dbraw/zinc/37/71/04/323377104.db2.gz LWDJRTUIOMNGPT-UHFFFAOYSA-N 2 0 318.465 2.654 20 0 DFADRP C[N@H+](CCN1CC[NH+](CC2(C)CC2)CC1)Cc1ccccc1 ZINC000580387904 323377149 /nfs/dbraw/zinc/37/71/49/323377149.db2.gz IFJDPDMNXGXDEZ-UHFFFAOYSA-N 2 0 301.478 2.536 20 0 DFADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]C1(C(=O)Nc2ccccc2)CC1 ZINC000580946528 323455020 /nfs/dbraw/zinc/45/50/20/323455020.db2.gz KYAYGGPGTATQSP-AWEZNQCLSA-N 2 0 324.428 2.671 20 0 DFADRP C[NH+](C)Cc1ccccc1C(=O)NCC(C)(C)C[NH+]1CCCC1 ZINC000581047413 323467628 /nfs/dbraw/zinc/46/76/28/323467628.db2.gz TZDUZHOREMQZKR-UHFFFAOYSA-N 2 0 317.477 2.600 20 0 DFADRP COc1ccc(C[C@H](C)[NH2+]CC2CC[NH2+]CC2)c(C)c1OC ZINC000581364046 323512141 /nfs/dbraw/zinc/51/21/41/323512141.db2.gz NJTUHTMUMBWFNI-ZDUSSCGKSA-N 2 0 306.450 2.532 20 0 DFADRP [NH3+]CCc1ccccc1C(=O)NCCCCC[NH+]1CCCCC1 ZINC000582010240 323602334 /nfs/dbraw/zinc/60/23/34/323602334.db2.gz LQYWWYVDBUWCNE-UHFFFAOYSA-N 2 0 317.477 2.574 20 0 DFADRP CC[NH+](CC)[C@@H](C(=O)NCCC[NH2+]C(C)C)c1ccccc1 ZINC000582963600 323769298 /nfs/dbraw/zinc/76/92/98/323769298.db2.gz XCJNOEAUGJIUDY-QGZVFWFLSA-N 2 0 305.466 2.574 20 0 DFADRP CSc1ccc2c(c1)[C@@H]([NH2+]CCOCC[NH+](C)C)CCC2 ZINC000584053250 331656198 /nfs/dbraw/zinc/65/61/98/331656198.db2.gz DPVXPKNHCOHPCJ-KRWDZBQOSA-N 2 0 308.491 2.954 20 0 DFADRP C[C@@H](O)[C@@H](C)[NH2+]CC1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000584286796 332213681 /nfs/dbraw/zinc/21/36/81/332213681.db2.gz IAHDGAMUCICTCG-ZIAGYGMSSA-N 2 0 310.869 2.911 20 0 DFADRP C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2cc(-n3ccnc3)cs2)C1 ZINC000584378691 337233016 /nfs/dbraw/zinc/23/30/16/337233016.db2.gz UBKDAELLZZCJSH-WMLDXEAASA-N 2 0 316.474 2.850 20 0 DFADRP Cc1ccc(C[N@@H+]2CC[C@]3(CC[NH+](C)C3)C2)c(-c2cnn(C)c2)c1 ZINC000292677922 533956452 /nfs/dbraw/zinc/95/64/52/533956452.db2.gz AKTRZNMDMGALQB-FQEVSTJZSA-N 2 0 324.472 2.923 20 0 DFADRP C[C@@H]1CC[N@H+](CCCc2nc(-c3cccs3)no2)C[C@H]1C[NH3+] ZINC000318004466 534032244 /nfs/dbraw/zinc/03/22/44/534032244.db2.gz GWIWZSAYEDEGOT-CHWSQXEVSA-N 2 0 320.462 2.647 20 0 DFADRP CSc1ccc2c(c1)[C@H]([NH2+]CCOCC[NH+](C)C)CCC2 ZINC000584053251 518175751 /nfs/dbraw/zinc/17/57/51/518175751.db2.gz DPVXPKNHCOHPCJ-QGZVFWFLSA-N 2 0 308.491 2.954 20 0 DFADRP CC(C)[NH2+]CCN1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000368456915 519721370 /nfs/dbraw/zinc/72/13/70/519721370.db2.gz DWHSAVSPEAWYSS-UHFFFAOYSA-N 2 0 315.505 2.973 20 0 DFADRP CCCOc1ccc(C[NH2+][C@@H]2CC[N@H+](C)[C@H]3CCC[C@H]32)cn1 ZINC000367617427 520371388 /nfs/dbraw/zinc/37/13/88/520371388.db2.gz NECVRNCQLGEGHM-BBWFWOEESA-N 2 0 303.450 2.833 20 0 DFADRP CCOc1ccc(CC[NH2+][C@@H]2CC[N@H+](C)C[C@@H]2C)cc1OCC ZINC000154903088 520954686 /nfs/dbraw/zinc/95/46/86/520954686.db2.gz UIAJLFZXFUUNNU-DOTOQJQBSA-N 2 0 320.477 2.956 20 0 DFADRP CCN1CC[NH+](CCCC[NH2+][C@H](C)c2cccc(F)c2)CC1 ZINC000154527796 521679799 /nfs/dbraw/zinc/67/97/99/521679799.db2.gz JEXXGUZJXOSTIJ-MRXNPFEDSA-N 2 0 307.457 2.894 20 0 DFADRP CC[C@@H](C)[C@H]([NH3+])C(=O)N(C)C1CC[NH+](C2CCC(C)CC2)CC1 ZINC000366329614 522364838 /nfs/dbraw/zinc/36/48/38/522364838.db2.gz YUSVJDCWICSSHU-NRLXWARBSA-N 2 0 323.525 2.861 20 0 DFADRP C[C@@H]1CCCC[N@@H+]1CCC1CC[NH+](CC2(O)CCOCC2)CC1 ZINC000157079833 524096116 /nfs/dbraw/zinc/09/61/16/524096116.db2.gz TWGUZDCEYMDSNT-QGZVFWFLSA-N 2 0 324.509 2.504 20 0 DFADRP Cc1ccc(C[NH+]2CCC(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)nc1 ZINC000158104422 524436166 /nfs/dbraw/zinc/43/61/66/524436166.db2.gz LYOGUQYJZXEMDU-CALCHBBNSA-N 2 0 317.477 2.711 20 0 DFADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1NC[C@H](c1ccco1)[NH+]1CCCC1 ZINC000249298950 524915273 /nfs/dbraw/zinc/91/52/73/524915273.db2.gz FSBUCLVCWARCHR-QBPKDAKJSA-N 2 0 305.466 2.735 20 0 DFADRP CCC[N@@H+]1CCC[C@H]1C(=O)Nc1cc(C[NH+](C)C)ccc1C ZINC000361194957 534903527 /nfs/dbraw/zinc/90/35/27/534903527.db2.gz DWZOSZMIGABSGN-KRWDZBQOSA-N 2 0 303.450 2.870 20 0 DFADRP CC(C)(C)NC(=[NH2+])NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000309765096 526300468 /nfs/dbraw/zinc/30/04/68/526300468.db2.gz ZGNRCFKVVXGMFN-INIZCTEOSA-N 2 0 302.466 2.811 20 0 DFADRP Cn1cc(CCC[NH2+]C2CC[NH+](C3CCCCC3)CC2)cn1 ZINC000158210300 527187378 /nfs/dbraw/zinc/18/73/78/527187378.db2.gz LJEWEGXJMBOZNX-UHFFFAOYSA-N 2 0 304.482 2.739 20 0 DFADRP CC[N@@H+]1CC[C@H]([NH+](C)C[C@@H](Cc2ccccc2)OC)[C@H](C)C1 ZINC000294841138 527832289 /nfs/dbraw/zinc/83/22/89/527832289.db2.gz BDQZWWKPNUEVSB-QRQLOZEOSA-N 2 0 304.478 2.906 20 0 DFADRP CCC[N@H+](CC)Cc1ccc(C(=O)NC[C@@H](C)[NH+](C)C)cc1 ZINC000299609914 528001992 /nfs/dbraw/zinc/00/19/92/528001992.db2.gz OEQURTMKVJSMOZ-OAHLLOKOSA-N 2 0 305.466 2.598 20 0 DFADRP CC(C)c1ccc([C@H]([NH3+])CNC(=O)[C@H]2CC[NH2+][C@H]2C(C)C)cc1 ZINC000295002582 528145131 /nfs/dbraw/zinc/14/51/31/528145131.db2.gz IGXFZPBSJCTRTE-KSZLIROESA-N 2 0 317.477 2.560 20 0 DFADRP CC1CC[NH+](CCCNC(=O)[C@H]([NH3+])CC2CCCCC2)CC1 ZINC000319001056 528240257 /nfs/dbraw/zinc/24/02/57/528240257.db2.gz MWFPCLFELUTWOQ-QGZVFWFLSA-N 2 0 309.498 2.522 20 0 DFADRP CCCC[N@H+](C)CC1CCN(C(=O)C[C@@H]2CCCC[C@@H]2[NH3+])CC1 ZINC000324289399 528337057 /nfs/dbraw/zinc/33/70/57/528337057.db2.gz IWHSZQWBLGRFSU-ROUUACIJSA-N 2 0 323.525 2.865 20 0 DFADRP CCC[NH2+][C@H](C)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000294997692 528556238 /nfs/dbraw/zinc/55/62/38/528556238.db2.gz IBLCWWLJNOXMLC-JFIYKMOQSA-N 2 0 317.477 2.544 20 0 DFADRP CCOC(=O)CCCCC[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000316197160 528691179 /nfs/dbraw/zinc/69/11/79/528691179.db2.gz UUIVSWARBJWYLG-UHFFFAOYSA-N 2 0 310.482 2.918 20 0 DFADRP CC(C)[N@H+](C)Cc1ccccc1CNc1cc[nH+]cc1C(N)=O ZINC000302012282 528838053 /nfs/dbraw/zinc/83/80/53/528838053.db2.gz CXISYFRDXHVJMJ-UHFFFAOYSA-N 2 0 312.417 2.633 20 0 DFADRP CCCC[C@H]([NH3+])C(=O)N(C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000309790028 528969337 /nfs/dbraw/zinc/96/93/37/528969337.db2.gz OLLSASSHAXRZBE-SFHVURJKSA-N 2 0 317.477 2.627 20 0 DFADRP CC1(C)CC[C@@H]([NH2+]Cc2ccccc2C[N@@H+]2CC[C@@H](O)C2)C1 ZINC000294920972 529028612 /nfs/dbraw/zinc/02/86/12/529028612.db2.gz BLQVRXMZPXZMRJ-QZTJIDSGSA-N 2 0 302.462 2.922 20 0 DFADRP CC[C@@H]([NH2+][C@@H](C)c1ccc(OCC[NH+](C)C)cc1)C(C)(C)O ZINC000294859704 529200489 /nfs/dbraw/zinc/20/04/89/529200489.db2.gz BWTVXMYVFJFYOZ-WMLDXEAASA-N 2 0 308.466 2.827 20 0 DFADRP CC(C)N(C)c1ccc(C[NH+]2CCC([C@H]3CCC[NH2+]3)CC2)cn1 ZINC000262042998 535026711 /nfs/dbraw/zinc/02/67/11/535026711.db2.gz YMVSUTVHVMDZKE-GOSISDBHSA-N 2 0 316.493 2.890 20 0 DFADRP CC(C)[C@@H](C(=O)NC[C@@H]1CCC[N@@H+](C(C)C)C1)[NH+]1CCCCC1 ZINC000354809737 535137518 /nfs/dbraw/zinc/13/75/18/535137518.db2.gz IVSZEMXJSAKLOV-ROUUACIJSA-N 2 0 323.525 2.734 20 0 DFADRP CC(C)[C@@H](C[NH2+]CC1CC[NH+](CCO)CC1)c1ccccc1 ZINC000354350477 535191794 /nfs/dbraw/zinc/19/17/94/535191794.db2.gz DIMCQCXZMQESOV-LJQANCHMSA-N 2 0 304.478 2.720 20 0 DFADRP CC[NH+](CC)CC1CC[NH+](CC[S@@](=O)c2ccccc2)CC1 ZINC000355392291 535497240 /nfs/dbraw/zinc/49/72/40/535497240.db2.gz NQGLOSKGGNXXQB-JOCHJYFZSA-N 2 0 322.518 2.848 20 0 DFADRP CC[NH+]1CCN([C@@H]2CC[N@H+](CC[C@H]3CCC[C@@H](C)C3)C2)CC1 ZINC000246499810 535734043 /nfs/dbraw/zinc/73/40/43/535734043.db2.gz SBDYNSORHMPPGT-GUDVDZBRSA-N 2 0 307.526 2.915 20 0 DFADRP CC[N@@H+]1CC[C@H]([NH2+]CC2CCN(c3cc[nH+]cc3)CC2)[C@@H](C)C1 ZINC000246298447 535768059 /nfs/dbraw/zinc/76/80/59/535768059.db2.gz CXQYCXXTEUXKST-LPHOPBHVSA-N 3 0 316.493 2.618 20 0 DFADRP CC[N@H+](Cc1ccc(C(=O)N2CC[C@](C)(C[NH3+])C2)cc1)C(C)C ZINC000261703883 535781237 /nfs/dbraw/zinc/78/12/37/535781237.db2.gz BOSFACARQQQISL-LJQANCHMSA-N 2 0 317.477 2.728 20 0 DFADRP C[N@H+](CCCc1ccc2c(c1)CCO2)CC1CC[NH+](C)CC1 ZINC000193245743 536361969 /nfs/dbraw/zinc/36/19/69/536361969.db2.gz SVABYAGDDAKSGN-UHFFFAOYSA-N 2 0 302.462 2.828 20 0 DFADRP C[NH+]1CCN(c2cc(C[NH2+]C3CCC4(CC4)CC3)ccn2)CC1 ZINC000362922450 536419599 /nfs/dbraw/zinc/41/95/99/536419599.db2.gz NUJBDPFQDACTAU-UHFFFAOYSA-N 2 0 314.477 2.646 20 0 DFADRP CC[C@H](C(=O)N1C[C@H]2CCCC[N@@H+]2C[C@@H]1CC)[NH+](CC)CC ZINC000680868951 545555408 /nfs/dbraw/zinc/55/54/08/545555408.db2.gz BPQKYQVDAHXOBO-GVDBMIGSSA-N 2 0 309.498 2.582 20 0 DFADRP C[N@H+](CCC(=O)N1CCC[C@@H]([NH+]2CCCC2)C1)C1CCCCC1 ZINC000681127214 545600930 /nfs/dbraw/zinc/60/09/30/545600930.db2.gz ZKWAGYNSTSPQCV-GOSISDBHSA-N 2 0 321.509 2.728 20 0 DFADRP C[C@@H](CCN1CC[NH+](C)CC1)[NH2+]Cc1cscc1Cl ZINC000681135666 545602239 /nfs/dbraw/zinc/60/22/39/545602239.db2.gz AUBHLXPHHPVREO-LBPRGKRZSA-N 2 0 301.887 2.517 20 0 DFADRP CC[C@@H](Cc1cccs1)[NH2+][C@H](C)CCN1CC[NH+](C)CC1 ZINC000681141439 545603125 /nfs/dbraw/zinc/60/31/25/545603125.db2.gz NVTDADUSZHZNKQ-CVEARBPZSA-N 2 0 309.523 2.685 20 0 DFADRP CC1(C)CC([NH2+]Cc2ccccc2-n2cncn2)CC(C)(C)[NH2+]1 ZINC000681696160 545701577 /nfs/dbraw/zinc/70/15/77/545701577.db2.gz SBGVUIPNMVZZQV-UHFFFAOYSA-N 2 0 313.449 2.666 20 0 DFADRP CC[C@H]1CN(C(=O)C(C)C)CC[C@H]1[NH2+]CCC[NH+]1CCCCC1 ZINC000682029912 545779283 /nfs/dbraw/zinc/77/92/83/545779283.db2.gz HWPWNOUVHIUVOH-ZWKOTPCHSA-N 2 0 323.525 2.735 20 0 DFADRP CC(C)[C@H](C)[NH+]1CCN(c2ccccc2OCC[NH+](C)C)CC1 ZINC000682072471 545789043 /nfs/dbraw/zinc/78/90/43/545789043.db2.gz RSVQZFKQSARGBL-KRWDZBQOSA-N 2 0 319.493 2.794 20 0 DFADRP CC(C)[C@@H](C)[NH+]1CCN(c2ccccc2OCC[NH+](C)C)CC1 ZINC000682072473 545789404 /nfs/dbraw/zinc/78/94/04/545789404.db2.gz RSVQZFKQSARGBL-QGZVFWFLSA-N 2 0 319.493 2.794 20 0 DFADRP C[C@@H](C[NH+]1CCN([C@H]2CCC[N@H+](C)C2)CC1)c1ccc(F)cc1 ZINC000682154444 545805570 /nfs/dbraw/zinc/80/55/70/545805570.db2.gz CNAWWQXJFZNMSC-LPHOPBHVSA-N 2 0 319.468 2.641 20 0 DFADRP C[C@H]1COC(C)(C)C[N@@H+]1Cc1ccc(OCC[NH+](C)C)cc1 ZINC000683110006 545973152 /nfs/dbraw/zinc/97/31/52/545973152.db2.gz WIIRCUQYDDOPNP-HNNXBMFYSA-N 2 0 306.450 2.626 20 0 DFADRP C[C@H]1CSCC[N@H+](Cc2ccc(OCC[NH+](C)C)cc2)C1 ZINC000683109968 545973444 /nfs/dbraw/zinc/97/34/44/545973444.db2.gz VJPBEZNBOVDXOJ-OAHLLOKOSA-N 2 0 308.491 2.812 20 0 DFADRP CC[NH+](CC)CCC[NH+]1C[C@H]2CN(c3ccccc3)C[C@@H]2C1 ZINC000683141660 545978277 /nfs/dbraw/zinc/97/82/77/545978277.db2.gz PXVKRIBWXKHRJT-ROUUACIJSA-N 2 0 301.478 2.787 20 0 DFADRP C[C@H]1CC[N@H+](Cc2ccc(OCC[NH+](C)C)cc2)CCS1 ZINC000683164602 545983063 /nfs/dbraw/zinc/98/30/63/545983063.db2.gz LMGUFTQFCCKDGF-HNNXBMFYSA-N 2 0 308.491 2.954 20 0 DFADRP Cc1ccc(C[NH2+][C@H]2CCN(C3CC[NH+](C)CC3)C2)cc1Cl ZINC000683472803 546040065 /nfs/dbraw/zinc/04/00/65/546040065.db2.gz UAUYDUJXQVWNNR-INIZCTEOSA-N 2 0 321.896 2.907 20 0 DFADRP OCCN1CCC[C@H]([NH2+]Cc2ccc(-c3cccs3)cc2)C1 ZINC000683518992 546050072 /nfs/dbraw/zinc/05/00/72/546050072.db2.gz JUQOZJAGLNBUKH-KRWDZBQOSA-N 2 0 316.470 2.961 20 0 DFADRP CN(CC[N@H+](C)[C@H]1CCc2ccccc21)C1CC[NH+](C)CC1 ZINC000683783973 546094677 /nfs/dbraw/zinc/09/46/77/546094677.db2.gz AEEDJRAIVMVJJB-IBGZPJMESA-N 2 0 301.478 2.632 20 0 DFADRP C[NH+](C)CC1(C(=O)N2CCC[C@H]2[C@@H]2CCC[N@@H+]2C)CCCCC1 ZINC000683848384 546108196 /nfs/dbraw/zinc/10/81/96/546108196.db2.gz OWLVIJZNBBLWQB-IRXDYDNUSA-N 2 0 321.509 2.584 20 0 DFADRP O[C@@H]1CCC[C@@H]1[NH+]1CCC([NH2+]Cc2cc3ccccc3[nH]2)CC1 ZINC000683929644 546121957 /nfs/dbraw/zinc/12/19/57/546121957.db2.gz URTDPBGDNJPNIW-RBUKOAKNSA-N 2 0 313.445 2.635 20 0 DFADRP C[C@@H]1C[N@H+](CCC[NH2+]Cc2cc3ccccc3[nH]2)CCCO1 ZINC000683930837 546122651 /nfs/dbraw/zinc/12/26/51/546122651.db2.gz DCUXYDGQWBFZPZ-OAHLLOKOSA-N 2 0 301.434 2.758 20 0 DFADRP CCc1cccc(F)c1C[NH2+][C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000684379342 546205049 /nfs/dbraw/zinc/20/50/49/546205049.db2.gz RCYPQYIPQXSSJD-INIZCTEOSA-N 2 0 319.468 2.646 20 0 DFADRP Oc1cccc2c(N3CCN(c4cc[nH+]cc4)CC3)cc[nH+]c12 ZINC000684566211 546244921 /nfs/dbraw/zinc/24/49/21/546244921.db2.gz MVLHOTBMBPZROE-UHFFFAOYSA-N 2 0 306.369 2.662 20 0 DFADRP CSc1ccc(C[NH2+]CCCN2CCC[N@H+](C)CC2)s1 ZINC000685615284 546375254 /nfs/dbraw/zinc/37/52/54/546375254.db2.gz FCGADOAOXVJBJT-UHFFFAOYSA-N 2 0 313.536 2.587 20 0 DFADRP C[NH+](C)CCc1ccc(NC(=O)C[C@H]2CCCC[C@H]2[NH3+])cc1 ZINC000296089073 282114608 /nfs/dbraw/zinc/11/46/08/282114608.db2.gz RCJKJXCFXOHEHG-NVXWUHKLSA-N 2 0 303.450 2.637 20 0 DFADRP C[NH+](C)CCc1ccccc1NC(=O)[C@@H](C1CC1)[NH+]1CCCC1 ZINC000275919453 282115378 /nfs/dbraw/zinc/11/53/78/282115378.db2.gz UKMNXDDUQDJQIV-GOSISDBHSA-N 2 0 315.461 2.604 20 0 DFADRP CCC[C@@H]([NH3+])C(=O)Nc1ccc(C[NH+]2CCC(C)CC2)cc1 ZINC000164558571 197656836 /nfs/dbraw/zinc/65/68/36/197656836.db2.gz BYGVXRQUXIUJRI-QGZVFWFLSA-N 2 0 303.450 2.984 20 0 DFADRP C[C@@H](CN[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)[NH+](C)C ZINC000278624035 214283570 /nfs/dbraw/zinc/28/35/70/214283570.db2.gz GLBOTTQYLKHEDJ-DSLXNQLJSA-N 2 0 301.478 2.722 20 0 DFADRP CC[C@H](CO)[NH+]1CCN(c2c(C)c(C)[nH+]c3ccccc32)CC1 ZINC000302061276 529388059 /nfs/dbraw/zinc/38/80/59/529388059.db2.gz CJPZCFMJNGPIMQ-MRXNPFEDSA-N 2 0 313.445 2.745 20 0 DFADRP CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)Nc1cc(C)cc(C[NH3+])c1 ZINC000332650240 529408604 /nfs/dbraw/zinc/40/86/04/529408604.db2.gz NGOFPXYCHLEKDH-SJORKVTESA-N 2 0 316.449 2.544 20 0 DFADRP C[C@@]1(C[NH2+]CC2CCOCC2)CC[N@H+](Cc2ccccc2)C1 ZINC000309835640 231106390 /nfs/dbraw/zinc/10/63/90/231106390.db2.gz UMAWLFUHRDTKIS-IBGZPJMESA-N 2 0 302.462 2.915 20 0 DFADRP Cc1ccc(C)c(OCC[NH+]2CCC(OCCC[NH3+])CC2)c1 ZINC000317205145 231158122 /nfs/dbraw/zinc/15/81/22/231158122.db2.gz KAXOUKFSCXFZBM-UHFFFAOYSA-N 2 0 306.450 2.512 20 0 DFADRP [NH3+]C[C@@H]1C[N@H+](CCCOCC(F)(F)F)C[C@H]1c1ccccc1 ZINC000328320491 231229967 /nfs/dbraw/zinc/22/99/67/231229967.db2.gz DQJKPVVOBKKLCL-CABCVRRESA-N 2 0 316.367 2.630 20 0 DFADRP CC(C)C[C@@H](C[NH+](C)C)NC(=O)CC[C@H]([NH3+])c1ccccc1 ZINC000236754178 398364660 /nfs/dbraw/zinc/36/46/60/398364660.db2.gz HFXKTWMOHYGHHQ-IRXDYDNUSA-N 2 0 305.466 2.559 20 0 DFADRP CC(C)C[C@H](C[NH+](C)C)NC(=O)CC[C@H]([NH3+])c1ccccc1 ZINC000236753284 398364697 /nfs/dbraw/zinc/36/46/97/398364697.db2.gz HFXKTWMOHYGHHQ-SJORKVTESA-N 2 0 305.466 2.559 20 0 DFADRP CC[N@H+](Cc1ccc(C(=O)N2CC[C@H]([NH3+])C[C@@H]2C)cc1)C(C)C ZINC000236994104 398365558 /nfs/dbraw/zinc/36/55/58/398365558.db2.gz VPGNHBUCYCDXBD-YJBOKZPZSA-N 2 0 317.477 2.869 20 0 DFADRP C[C@H](CNC(=O)CC[C@H]([NH3+])c1ccccc1)C[NH+]1CCCCC1 ZINC000237398129 398369597 /nfs/dbraw/zinc/36/95/97/398369597.db2.gz SWUJEHHAVSHYPB-AEFFLSMTSA-N 2 0 317.477 2.705 20 0 DFADRP CC[C@@H](C)C[NH+]1CCC(C(=O)NCCC[NH+](CC)CC)CC1 ZINC000088578290 185258611 /nfs/dbraw/zinc/25/86/11/185258611.db2.gz PWZZPOHYFQMURP-MRXNPFEDSA-N 2 0 311.514 2.593 20 0 DFADRP CCCC[C@H](C)[NH2+]Cc1ccc(C(=O)NCC[NH+](C)C)cc1 ZINC000090038733 185279127 /nfs/dbraw/zinc/27/91/27/185279127.db2.gz RKXOLKMVUBTHFA-HNNXBMFYSA-N 2 0 305.466 2.646 20 0 DFADRP CC[N@@H+]1CC[C@H]([NH2+]CCCOc2cccc(OC)c2)[C@H](C)C1 ZINC000090060408 185280123 /nfs/dbraw/zinc/28/01/23/185280123.db2.gz OWJABDJTTGFTHX-QAPCUYQASA-N 2 0 306.450 2.784 20 0 DFADRP CCO[C@@H]1C[C@H]([NH2+]CCCC[NH+]2CCC(C)CC2)[C@H]1SC ZINC000459373985 299090437 /nfs/dbraw/zinc/09/04/37/299090437.db2.gz LGQFADOPGJCTEM-GVDBMIGSSA-N 2 0 314.539 2.997 20 0 DFADRP Cc1ccc2ncc(C[NH+]3CCC(CC[NH+](C)C)CC3)n2c1 ZINC000092381394 185314620 /nfs/dbraw/zinc/31/46/20/185314620.db2.gz VICZMMNPHGYIPX-UHFFFAOYSA-N 2 0 300.450 2.806 20 0 DFADRP CC[N@@H+]1CC[C@H](C[NH2+]C2CCC(C(=O)OC(C)(C)C)CC2)C1 ZINC000092562006 185326092 /nfs/dbraw/zinc/32/60/92/185326092.db2.gz UWUCPOHKQDATJN-QQFBHYJXSA-N 2 0 310.482 2.818 20 0 DFADRP CN(C)[C@H](C[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1)c1cccs1 ZINC000250343824 282248858 /nfs/dbraw/zinc/24/88/58/282248858.db2.gz DXDKLNYCPGOAIY-KLHDSHLOSA-N 2 0 307.507 2.861 20 0 DFADRP CCn1nc(C)c(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)c1C ZINC000584714892 398401371 /nfs/dbraw/zinc/40/13/71/398401371.db2.gz MKEVWDQPSXJYRP-BPQIPLTHSA-N 2 0 304.482 2.920 20 0 DFADRP CCCN(Cc1ccc(C)cc1)C(=O)CN1CC[C@@H]([NH3+])C[C@H]1C ZINC000584728517 398404113 /nfs/dbraw/zinc/40/41/13/398404113.db2.gz NYOZGLSVIRFBBQ-SJLPKXTDSA-N 2 0 317.477 2.545 20 0 DFADRP CC[NH+](CC)CCn1ccc2cc(NC(=O)CC[NH2+]C)ccc21 ZINC000584778368 398411654 /nfs/dbraw/zinc/41/16/54/398411654.db2.gz WXLSCXAQSATVSL-UHFFFAOYSA-N 2 0 316.449 2.531 20 0 DFADRP C[C@H](c1ccc(OC(F)(F)F)cc1)[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000251751466 398418349 /nfs/dbraw/zinc/41/83/49/398418349.db2.gz RJMLMTQIKJSAPW-WXHSDQCUSA-N 2 0 300.324 2.797 20 0 DFADRP O[C@H](C[NH2+]CCCCC[NH+]1CCCCC1)Cc1ccc(F)cc1 ZINC000584834158 398418603 /nfs/dbraw/zinc/41/86/03/398418603.db2.gz BEOMTADXEQRTDU-IBGZPJMESA-N 2 0 322.468 2.975 20 0 DFADRP COC(=O)c1ccc(C[N@@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)cc1 ZINC000592433644 398425322 /nfs/dbraw/zinc/42/53/22/398425322.db2.gz MXIPKGDRKKNXKN-ZWKOTPCHSA-N 2 0 316.445 2.685 20 0 DFADRP CC[N@@H+]1CC[C@@H]([NH2+][C@@H]2CC[C@H](C(=O)OC(C)(C)C)C2)[C@H](C)C1 ZINC000592404426 398422951 /nfs/dbraw/zinc/42/29/51/398422951.db2.gz SNMPQKDRAMCAGY-QKPAOTATSA-N 2 0 310.482 2.817 20 0 DFADRP CCO[C@@H]1C[C@@H]([NH2+]C2CCC(C[NH+](C)C)CC2)[C@@H]1SC ZINC000459448714 299109340 /nfs/dbraw/zinc/10/93/40/299109340.db2.gz LOXMKOXMFSAIPG-PEHJNBARSA-N 2 0 300.512 2.605 20 0 DFADRP CC[N@H+]1C[C@@H](C)N(CC[NH+](C)Cc2ccc(F)cc2)[C@@H](C)C1 ZINC000459454262 299110399 /nfs/dbraw/zinc/11/03/99/299110399.db2.gz FBMYHLWLSLUXCM-IYBDPMFKSA-N 2 0 307.457 2.672 20 0 DFADRP C[NH+](C)C1CCN(CC[NH2+]Cc2ccc(C3CC3)cc2)CC1 ZINC000459456390 299111345 /nfs/dbraw/zinc/11/13/45/299111345.db2.gz FUCKTUBTSIHDIE-UHFFFAOYSA-N 2 0 301.478 2.680 20 0 DFADRP Cc1ccc([C@@H](CNC2CC[NH+](C3CC3)CC2)[NH+]2CCCC2)o1 ZINC000459458038 299111582 /nfs/dbraw/zinc/11/15/82/299111582.db2.gz FCHUYHBMJQIEBK-GOSISDBHSA-N 2 0 317.477 2.941 20 0 DFADRP C[N@@H+]1CCC[C@H]1C(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC000299510260 530062645 /nfs/dbraw/zinc/06/26/45/530062645.db2.gz MKQLHQAWAXZHPI-SFHVURJKSA-N 2 0 315.461 2.748 20 0 DFADRP CO[C@@H](C)CC[NH2+]Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000596665382 398475363 /nfs/dbraw/zinc/47/53/63/398475363.db2.gz NZFINEWPVUMMPD-INIZCTEOSA-N 2 0 306.450 2.676 20 0 DFADRP CCO[C@@H]1C[C@H]([NH2+]CC[C@H](C)[NH+]2CCCCC2)[C@@H]1SC ZINC000459480564 299117239 /nfs/dbraw/zinc/11/72/39/299117239.db2.gz LWMKNYWZNUWGSA-JONQDZQNSA-N 2 0 300.512 2.750 20 0 DFADRP c1ccc2c(c1)[nH+]ccc2N1CC[NH+](CC[C@H]2CCOC2)CC1 ZINC000459481845 299117412 /nfs/dbraw/zinc/11/74/12/299117412.db2.gz NYLWIBPWYMYVDY-INIZCTEOSA-N 2 0 311.429 2.783 20 0 DFADRP CCn1nncc1C[NH+]1CCC(CC[N@H+](CC)CC(C)C)CC1 ZINC000459481407 299117755 /nfs/dbraw/zinc/11/77/55/299117755.db2.gz WOIYYDFCJDCJJM-UHFFFAOYSA-N 2 0 321.513 2.878 20 0 DFADRP C[C@H]([NH2+]C1CCC(O)CC1)c1ccc(OCC[NH+](C)C)cc1 ZINC000090800260 398492731 /nfs/dbraw/zinc/49/27/31/398492731.db2.gz HCSHMDQYWWBFFJ-OOHWJJMZSA-N 2 0 306.450 2.581 20 0 DFADRP CC(C)[C@H](C(=O)N1CCC(C[NH+]2CCCCCC2)CC1)[NH+](C)C ZINC000592840077 398494313 /nfs/dbraw/zinc/49/43/13/398494313.db2.gz IFIURBDHNNNIJS-GOSISDBHSA-N 2 0 323.525 2.687 20 0 DFADRP CC(C)[C@@H](C(=O)N1CCC(C[NH+]2CCCCCC2)CC1)[NH+](C)C ZINC000592840080 398494374 /nfs/dbraw/zinc/49/43/74/398494374.db2.gz IFIURBDHNNNIJS-SFHVURJKSA-N 2 0 323.525 2.687 20 0 DFADRP C[C@H](CC[NH+](C)C)N[C@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272690133 210094954 /nfs/dbraw/zinc/09/49/54/210094954.db2.gz VOWCSDBGUZZXBK-ZHALLVOQSA-N 2 0 303.494 2.827 20 0 DFADRP CC(C)[NH2+]CCC(=O)NCC1([NH+]2CCCCC2)CCCCC1 ZINC000315382553 398525528 /nfs/dbraw/zinc/52/55/28/398525528.db2.gz DXXWYHVREPIVLU-UHFFFAOYSA-N 2 0 309.498 2.680 20 0 DFADRP CC(C)[C@H]([NH2+]CC1CC[NH+](CCN(C)C)CC1)c1cccnc1 ZINC000091333154 398526300 /nfs/dbraw/zinc/52/63/00/398526300.db2.gz UTBBAEVQTATEEK-IBGZPJMESA-N 2 0 318.509 2.642 20 0 DFADRP CC(C)[C@H]([NH2+]CCC[N@@H+]1CCC[C@H](C(N)=O)C1)c1ccccc1 ZINC000091333572 398526379 /nfs/dbraw/zinc/52/63/79/398526379.db2.gz SPYLXBOILFWUTC-ROUUACIJSA-N 2 0 317.477 2.561 20 0 DFADRP CC1CC[NH+](CCc2cccc(NC(=O)[C@H]3CCC[NH2+]3)c2)CC1 ZINC000272647432 210052921 /nfs/dbraw/zinc/05/29/21/210052921.db2.gz ZSRWBSGYZSSKGU-GOSISDBHSA-N 2 0 315.461 2.652 20 0 DFADRP CC(C)[C@H](CO)[C@@H]([NH2+]C1CCN(c2cc[nH+]cc2)CC1)C(C)C ZINC000459576967 299138745 /nfs/dbraw/zinc/13/87/45/299138745.db2.gz LMFSALNCGYPLEC-OALUTQOASA-N 2 0 319.493 2.929 20 0 DFADRP CCC(CC)(C[NH3+])C(=O)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000236642278 201946047 /nfs/dbraw/zinc/94/60/47/201946047.db2.gz VPBZSMRSMWQRRP-KRWDZBQOSA-N 2 0 323.525 2.866 20 0 DFADRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@@H]1C[C@@H](OC(C)(C)C)C1(C)C ZINC000414118226 295769289 /nfs/dbraw/zinc/76/92/89/295769289.db2.gz UTYIZKDSGZBNFY-BZUAXINKSA-N 2 0 314.514 2.915 20 0 DFADRP CCO[C@H]1C[C@@H]([NH2+][C@@H](C)c2ccc(OCC[NH+](C)C)cc2)C1 ZINC000414145498 295771904 /nfs/dbraw/zinc/77/19/04/295771904.db2.gz NYKPZGZICWBLIM-QILLFSRXSA-N 2 0 306.450 2.845 20 0 DFADRP Clc1ccccc1CC[NH+]1CCC(C[NH+]2CCOCC2)CC1 ZINC000069028117 398543535 /nfs/dbraw/zinc/54/35/35/398543535.db2.gz FLAKCAGVHNRDPD-UHFFFAOYSA-N 2 0 322.880 2.927 20 0 DFADRP CC(C)[N@H+](C)CC1CCN(C(=O)C[C@@H]([NH3+])c2ccccc2)CC1 ZINC000321559096 398553224 /nfs/dbraw/zinc/55/32/24/398553224.db2.gz FYMKLRHGWROIDU-GOSISDBHSA-N 2 0 317.477 2.655 20 0 DFADRP CCC[N@@H+]1CC[C@@H](CNCc2ccc(C(=O)OC)c(Cl)c2)C1 ZINC000597048177 398554836 /nfs/dbraw/zinc/55/48/36/398554836.db2.gz BLSWKRHEWJZAIL-AWEZNQCLSA-N 2 0 324.852 2.948 20 0 DFADRP Cc1ncc(C[NH2+][C@H](CC(=O)OC(C)C)c2ccccc2)n1C ZINC000597133395 398572897 /nfs/dbraw/zinc/57/28/97/398572897.db2.gz TVIIEACQKPSPER-QGZVFWFLSA-N 2 0 315.417 2.901 20 0 DFADRP Cn1cnc(CC[NH2+]Cc2csc(-c3cccs3)n2)c1 ZINC000459656658 299157130 /nfs/dbraw/zinc/15/71/30/299157130.db2.gz HBRUVVJFZMTLLT-UHFFFAOYSA-N 2 0 304.444 2.937 20 0 DFADRP Cc1occc1C[NH+]1CCC(N2CC[NH+](C(C)C)CC2)CC1 ZINC000414419520 295799217 /nfs/dbraw/zinc/79/92/17/295799217.db2.gz ZUCKTTRRUJLAIZ-UHFFFAOYSA-N 2 0 305.466 2.578 20 0 DFADRP COC(=O)[C@H]1C[C@@H]([NH2+]C2CC[NH+]([C@@H]3CCCC[C@@H]3C)CC2)C1 ZINC000597221620 398595711 /nfs/dbraw/zinc/59/57/11/398595711.db2.gz TURQULGKEXCDSJ-XJNFMUPTSA-N 2 0 308.466 2.571 20 0 DFADRP CC(C)CCC[C@H](C)NC(=O)C[NH+]1CCC(C[NH+](C)C)CC1 ZINC000590125967 398598317 /nfs/dbraw/zinc/59/83/17/398598317.db2.gz ZECSTTUKXPLLNN-INIZCTEOSA-N 2 0 311.514 2.591 20 0 DFADRP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3ccc(-n4ccnc4)cc3)CC[C@@H]21 ZINC000139834031 186024785 /nfs/dbraw/zinc/02/47/85/186024785.db2.gz RBNYWZUHCKAIMQ-MJGOQNOKSA-N 3 0 310.445 2.788 20 0 DFADRP CCOc1ccc(OCC[N@H+](C)C[C@@H]2CCC[NH+](C)C2)cc1 ZINC000152447036 186074182 /nfs/dbraw/zinc/07/41/82/186074182.db2.gz NEHOZULLCXBIBN-MRXNPFEDSA-N 2 0 306.450 2.738 20 0 DFADRP CC[N@@H+]1CC[C@H]([NH2+]CCCOc2ccc(OC)cc2)[C@H](C)C1 ZINC000152491085 186078809 /nfs/dbraw/zinc/07/88/09/186078809.db2.gz KTYQIYGRPGBRJE-QAPCUYQASA-N 2 0 306.450 2.784 20 0 DFADRP CC[N@H+](CCNC1CC[NH+](CCc2ccccc2)CC1)C1CC1 ZINC000155839625 186116903 /nfs/dbraw/zinc/11/69/03/186116903.db2.gz YNUFUXSGZCNURS-UHFFFAOYSA-N 2 0 315.505 2.767 20 0 DFADRP CC[C@@H](C)[C@H](O)C[NH2+][C@@H](C)c1cccc(OCC[NH+](C)C)c1 ZINC000163936793 186142706 /nfs/dbraw/zinc/14/27/06/186142706.db2.gz DKPBXZSLYSOBQP-RVKKMQEKSA-N 2 0 308.466 2.685 20 0 DFADRP C[C@@H](CN1CC[NH+](C)CC1)[NH2+][C@H]1CC[C@@](C)(c2ccccc2)C1 ZINC000187982794 186239149 /nfs/dbraw/zinc/23/91/49/186239149.db2.gz OJDJZIVPCRPHOH-YSIASYRMSA-N 2 0 315.505 2.722 20 0 DFADRP COc1cc(C[NH2+]CCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)ccc1C ZINC000194267964 186274800 /nfs/dbraw/zinc/27/48/00/186274800.db2.gz UGFZDEHGIABEMH-CALCHBBNSA-N 2 0 320.477 2.983 20 0 DFADRP C[C@@H]1C[C@H](C[NH+]2CCN(Cc3ccc(Cl)cc3)CC2)CC[NH2+]1 ZINC000414677341 295814850 /nfs/dbraw/zinc/81/48/50/295814850.db2.gz IZARNXULWRBIKM-NVXWUHKLSA-N 2 0 321.896 2.846 20 0 DFADRP CC[C@@H](C(=O)NC[C@H](c1ccsc1)[NH+](C)C)[NH+](CC)CC ZINC000266864172 186363102 /nfs/dbraw/zinc/36/31/02/186363102.db2.gz VNDUWMGOOIGPDS-LSDHHAIUSA-N 2 0 311.495 2.587 20 0 DFADRP CC[N@@H+]1CC[C@H](CN[C@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C)C1 ZINC000268746026 186376175 /nfs/dbraw/zinc/37/61/75/186376175.db2.gz ASPFXPKJBZQZGK-SXLOBPIMSA-N 2 0 315.505 2.828 20 0 DFADRP CC[N@@H+]1CCC[C@@H]1CN[C@H]1CC[NH+](Cc2ccccc2)C[C@H]1C ZINC000268754007 186379801 /nfs/dbraw/zinc/37/98/01/186379801.db2.gz YVZKTEUGQFDVQA-RLLQIKCJSA-N 2 0 315.505 2.971 20 0 DFADRP Cc1[nH+]c2ccccc2c(N2CCC([N@H+](C)CCO)CC2)c1C ZINC000273338320 186432082 /nfs/dbraw/zinc/43/20/82/186432082.db2.gz NFYMSMPNEMNEQY-UHFFFAOYSA-N 2 0 313.445 2.745 20 0 DFADRP COc1cccc(NC2CC[NH+](C[C@@H]3CC[NH2+][C@H](C)C3)CC2)c1 ZINC000414708328 295818026 /nfs/dbraw/zinc/81/80/26/295818026.db2.gz ZSVXFODUWCDFKU-HZPDHXFCSA-N 2 0 317.477 2.960 20 0 DFADRP COc1cc(C[NH2+]CC[C@@H]2CCC[N@H+](C)C2)cc(OC)c1OC ZINC000459732769 299175511 /nfs/dbraw/zinc/17/55/11/299175511.db2.gz MWMWSOYVBUEJOS-AWEZNQCLSA-N 2 0 322.449 2.534 20 0 DFADRP C[C@H]([NH3+])c1ccc(C[NH2+]C2CCN(CC(F)(F)F)CC2)cc1 ZINC000414815666 295821358 /nfs/dbraw/zinc/82/13/58/295821358.db2.gz YAUGJAHSHGCOGV-LBPRGKRZSA-N 2 0 315.383 2.823 20 0 DFADRP COc1cc(OC)c(OC)cc1C[NH2+]CC[C@@H]1CCC[N@H+](C)C1 ZINC000459735001 299176623 /nfs/dbraw/zinc/17/66/23/299176623.db2.gz PGZZMZJMUNHSMO-AWEZNQCLSA-N 2 0 322.449 2.534 20 0 DFADRP C[N@@H+]1CCC[C@H](CC[NH2+]Cc2ccc(Br)cn2)C1 ZINC000459737430 299177557 /nfs/dbraw/zinc/17/75/57/299177557.db2.gz RFWCNUSTIUKODV-GFCCVEGCSA-N 2 0 312.255 2.666 20 0 DFADRP Cc1ccc(Cl)cc1NC(=O)C[C@H](C)[NH2+]CC[C@@H]1CC[NH2+]C1 ZINC000414828043 295823128 /nfs/dbraw/zinc/82/31/28/295823128.db2.gz IGWRPQJESIUMJM-KBPBESRZSA-N 2 0 323.868 2.955 20 0 DFADRP CCOc1c(Cl)cc(C[NH2+]CC[C@@H]2CC[NH2+]C2)cc1OC ZINC000414831724 295823623 /nfs/dbraw/zinc/82/36/23/295823623.db2.gz NPLSSLGJOAWLMI-LBPRGKRZSA-N 2 0 312.841 2.837 20 0 DFADRP COc1sc(C[NH2+]CC[C@H]2CC[NH2+]C2)cc1Br ZINC000414836450 295824278 /nfs/dbraw/zinc/82/42/78/295824278.db2.gz SMDQSZFBANNJMO-SECBINFHSA-N 2 0 319.268 2.608 20 0 DFADRP COc1ccc(CC[C@H](C)[NH2+]CC[C@H]2CCC[NH2+]C2)cc1O ZINC000414833186 295823875 /nfs/dbraw/zinc/82/38/75/295823875.db2.gz GHKQMDISVSVCEE-GOEBONIOSA-N 2 0 306.450 2.701 20 0 DFADRP Fc1cc(C[NH2+]CC[C@H]2CC[NH2+]C2)ccc1OCC(F)(F)F ZINC000414837190 295824195 /nfs/dbraw/zinc/82/41/95/295824195.db2.gz UJNAHTXZYHMVMP-LLVKDONJSA-N 2 0 320.330 2.856 20 0 DFADRP C[C@H]1CCC[C@@H]([NH+]2CCC(NC3C[C@H]4CC[C@@H](C3)[NH2+]4)CC2)C1 ZINC000414840309 295824583 /nfs/dbraw/zinc/82/45/83/295824583.db2.gz YOERATCQGGRDBB-KEVQOFRZSA-N 2 0 305.510 2.902 20 0 DFADRP C[NH2+]C[C@H](C)C[NH2+][C@@H](C)CC(=O)Nc1ccccc1C(C)C ZINC000414849735 295825876 /nfs/dbraw/zinc/82/58/76/295825876.db2.gz YLCDAJNYGLYTCU-GJZGRUSLSA-N 2 0 305.466 2.972 20 0 DFADRP C[C@@H](C[NH3+])C[NH2+]Cc1cc(Cl)ccc1OC[C@@H]1CCCO1 ZINC000414874161 295828848 /nfs/dbraw/zinc/82/88/48/295828848.db2.gz IJCNSOBBKRBPSD-WFASDCNBSA-N 2 0 312.841 2.582 20 0 DFADRP C[C@@H](CC[NH3+])[NH2+]Cc1c[nH]nc1-c1ccc(C(F)(F)F)cc1 ZINC000414901098 295832288 /nfs/dbraw/zinc/83/22/88/295832288.db2.gz WUNBYQBTWGCMDK-JTQLQIEISA-N 2 0 312.339 2.922 20 0 DFADRP Cc1ccc(OCc2nc(C[NH2+]CCCC[NH3+])cs2)cc1 ZINC000414910086 295833462 /nfs/dbraw/zinc/83/34/62/295833462.db2.gz RQTLBNBUDGBQKV-UHFFFAOYSA-N 2 0 305.447 2.859 20 0 DFADRP Cc1ccc(NC(=O)C[C@H](C)[NH2+]CC[C@H]2CCC[NH2+]2)c(C)c1 ZINC000414903679 295832843 /nfs/dbraw/zinc/83/28/43/295832843.db2.gz KIULCWULKGDXAW-JKSUJKDBSA-N 2 0 303.450 2.752 20 0 DFADRP CSc1cc(Br)ccc1C[NH2+]CCCC[NH3+] ZINC000414913473 295834004 /nfs/dbraw/zinc/83/40/04/295834004.db2.gz VUBMJAMCOPJDOM-UHFFFAOYSA-N 2 0 303.269 3.000 20 0 DFADRP [NH3+][C@H]1CCC[C@@H]([NH2+]Cc2ccc(Br)c(F)c2)C1 ZINC000414931459 295836974 /nfs/dbraw/zinc/83/69/74/295836974.db2.gz UQIAGAHRRWVGSU-WDEREUQCSA-N 2 0 301.203 2.948 20 0 DFADRP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(OCc3ccncc3)cc2)CC[NH2+]1 ZINC000414955083 295840205 /nfs/dbraw/zinc/84/02/05/295840205.db2.gz TZNPLTXJRYGCGL-QAPCUYQASA-N 2 0 311.429 2.891 20 0 DFADRP C[C@H]1[NH2+]CCC[C@H]1NC1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000414955262 295840238 /nfs/dbraw/zinc/84/02/38/295840238.db2.gz ODLRCEIKJYEYNE-DNVCBOLYSA-N 2 0 319.468 2.563 20 0 DFADRP COCC1(C[NH2+]Cc2ccccc2OC(C)C)CC[NH2+]CC1 ZINC000414962720 295841543 /nfs/dbraw/zinc/84/15/43/295841543.db2.gz WNONCDDXTRLUJO-UHFFFAOYSA-N 2 0 306.450 2.580 20 0 DFADRP Cc1csc(N2CCC([NH2+]CCC[C@@H]3CCC[NH2+]3)CC2)n1 ZINC000414971502 295842823 /nfs/dbraw/zinc/84/28/23/295842823.db2.gz LLVRJKAYOWTXRV-AWEZNQCLSA-N 2 0 308.495 2.542 20 0 DFADRP CC(C)[N@H+](C)CC1CC[NH+](CC(=O)N[C@H]2CCCC[C@H]2C)CC1 ZINC000590786491 398673892 /nfs/dbraw/zinc/67/38/92/398673892.db2.gz FAYDWMLEQCMJJO-AEFFLSMTSA-N 2 0 323.525 2.734 20 0 DFADRP COc1ccc(NC(=O)C[C@@H](C)[NH2+]CCC[C@H]2CCC[NH2+]2)cc1 ZINC000414967090 295842236 /nfs/dbraw/zinc/84/22/36/295842236.db2.gz GVKWDVBMDJRDPM-CABCVRRESA-N 2 0 319.449 2.534 20 0 DFADRP C[C@@H](CC[NH3+])NC(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC000414967965 295842557 /nfs/dbraw/zinc/84/25/57/295842557.db2.gz CDQPKFHWFURQGM-HNNXBMFYSA-N 2 0 318.465 2.574 20 0 DFADRP CCC[NH+]1CCC([N@H+](C)CCc2ccc3c(c2)CCO3)CC1 ZINC000072630389 191205202 /nfs/dbraw/zinc/20/52/02/191205202.db2.gz DKFJRNRDFPGUNO-UHFFFAOYSA-N 2 0 302.462 2.970 20 0 DFADRP c1cnc(Oc2ccc(C[NH2+]CCC[C@@H]3CCC[NH2+]3)cc2)cn1 ZINC000414977254 295843500 /nfs/dbraw/zinc/84/35/00/295843500.db2.gz QVUGKDBQPXDKGR-MRXNPFEDSA-N 2 0 312.417 2.891 20 0 DFADRP COc1ccc(CC[C@@H](C)[NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)cc1O ZINC000277165694 213339805 /nfs/dbraw/zinc/33/98/05/213339805.db2.gz GGPXCATVMPNRLD-ZBFHGGJFSA-N 2 0 318.461 2.796 20 0 DFADRP [NH3+][C@H]1CCC[C@H](C[NH2+]Cc2cc(O)ccc2Br)C1 ZINC000414991755 295844651 /nfs/dbraw/zinc/84/46/51/295844651.db2.gz JPRBVRPLTCQQEK-JQWIXIFHSA-N 2 0 313.239 2.762 20 0 DFADRP Fc1ccc([C@@H]2CC[NH2+]C[C@@H]2C[NH2+][C@H]2CCCOCC2)cc1 ZINC000414993128 295844867 /nfs/dbraw/zinc/84/48/67/295844867.db2.gz CDXNNYDGAKSFKV-NJAFHUGGSA-N 2 0 306.425 2.678 20 0 DFADRP CC[C@H](C[C@@H](C)CC)[NH2+]C[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000414998236 295845505 /nfs/dbraw/zinc/84/55/05/295845505.db2.gz ZFMSBHZMHRCICZ-BFHYXJOUSA-N 2 0 309.420 2.627 20 0 DFADRP COc1ccc(NC(=O)C[C@H](C)[NH2+]C[C@H]2CCC[C@@H]([NH3+])C2)cc1 ZINC000414994377 295845020 /nfs/dbraw/zinc/84/50/20/295845020.db2.gz DIKSIEIDEOBRDQ-SOUVJXGZSA-N 2 0 319.449 2.519 20 0 DFADRP CCOC(=O)C1(C)CCC([NH2+]CC[C@@H]2CCC[N@H+](C)C2)CC1 ZINC000459780981 299191009 /nfs/dbraw/zinc/19/10/09/299191009.db2.gz MHAJLRLZWPTWAG-HJOIGYKYSA-N 2 0 310.482 2.820 20 0 DFADRP CSCC1CCC([NH2+]CC(C)(C)N2CC[NH+](C)CC2)CC1 ZINC000395169919 398678684 /nfs/dbraw/zinc/67/86/84/398678684.db2.gz WIDWSKCGMHOVOX-UHFFFAOYSA-N 2 0 313.555 2.524 20 0 DFADRP Brc1cccc(C[NH2+][C@@H]2C[C@H]2C2CC[NH2+]CC2)c1 ZINC000415003553 295846248 /nfs/dbraw/zinc/84/62/48/295846248.db2.gz GDYCPOYBHUEANK-LSDHHAIUSA-N 2 0 309.251 2.927 20 0 DFADRP Cc1csc(N2CCC([NH2+]C[C@@H]3CCC[C@H]([NH3+])C3)CC2)n1 ZINC000415001160 295845788 /nfs/dbraw/zinc/84/57/88/295845788.db2.gz KQJZGGXANKDQBI-KGLIPLIRSA-N 2 0 308.495 2.527 20 0 DFADRP [NH3+][C@H]1CCC[C@@H](C[NH2+]C2CCN(CCC(F)(F)F)CC2)C1 ZINC000415012475 295847263 /nfs/dbraw/zinc/84/72/63/295847263.db2.gz XIOMKQAMVNNBMP-OLZOCXBDSA-N 2 0 307.404 2.510 20 0 DFADRP COc1cccc(NC(=O)C[C@H](C)[NH2+][C@H](C)CCCC[NH3+])c1 ZINC000415014216 295847306 /nfs/dbraw/zinc/84/73/06/295847306.db2.gz LPLJILVSDXZUIJ-KGLIPLIRSA-N 2 0 307.438 2.519 20 0 DFADRP COc1ccc(NC(=O)C[C@H](C)[NH2+][C@@H](C)CCCC[NH3+])cc1 ZINC000415014472 295847471 /nfs/dbraw/zinc/84/74/71/295847471.db2.gz MHZRUFSJCMZFBI-KBPBESRZSA-N 2 0 307.438 2.519 20 0 DFADRP C[C@@H](CCC[NH3+])[NH2+]Cc1cn(C)nc1-c1ccccc1Cl ZINC000415023203 295848138 /nfs/dbraw/zinc/84/81/38/295848138.db2.gz MKOMZINFIKHGOU-LBPRGKRZSA-N 2 0 306.841 2.958 20 0 DFADRP [NH3+]C[C@H]1CC[C@H]([NH2+]Cc2cc(Cl)c3c(c2)OCCCO3)C1 ZINC000415027589 295848406 /nfs/dbraw/zinc/84/84/06/295848406.db2.gz BEXFQQXOOIAKRM-AAEUAGOBSA-N 2 0 310.825 2.718 20 0 DFADRP CC[N@@H+]1CC[C@H]([NH2+]Cc2ccc(OCCOC)cc2)[C@H](C)C1 ZINC000173362686 198206075 /nfs/dbraw/zinc/20/60/75/198206075.db2.gz RWXLGCJWELRVOJ-QAPCUYQASA-N 2 0 306.450 2.532 20 0 DFADRP CCN1CC[NH+](CCCC[NH2+]C[C@@H](C)Cc2ccccc2)CC1 ZINC000182053177 199380024 /nfs/dbraw/zinc/38/00/24/199380024.db2.gz RSGSDLDTKZOUOV-IBGZPJMESA-N 2 0 317.521 2.873 20 0 DFADRP COc1ccc(C(C)(C)C[NH2+][C@@H](C)[C@@H]2CC[NH2+]C2)cc1OC ZINC000415074677 295854622 /nfs/dbraw/zinc/85/46/22/295854622.db2.gz DCNIJZWVPGFVIY-UONOGXRCSA-N 2 0 306.450 2.569 20 0 DFADRP C[C@@H]1C[C@@H](C[NH2+]C2CCN(Cc3ccccc3)CC2)CC[NH2+]1 ZINC000415084104 295855916 /nfs/dbraw/zinc/85/59/16/295855916.db2.gz QZTDJWSNIQAPCZ-AEFFLSMTSA-N 2 0 301.478 2.629 20 0 DFADRP CC(C)[C@H]([NH2+]C[C@@H]1CCC[NH2+]C1)c1ccc2c(c1)OCCO2 ZINC000415081285 295855653 /nfs/dbraw/zinc/85/56/53/295855653.db2.gz MOOJNLQGPSAOIV-KDOFPFPSSA-N 2 0 304.434 2.744 20 0 DFADRP Clc1cccnc1OCC[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000415081818 295855695 /nfs/dbraw/zinc/85/56/95/295855695.db2.gz CHCUVZZKEQSUQT-CFVMTHIKSA-N 2 0 309.841 2.624 20 0 DFADRP COCCOc1ccccc1C[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000415088109 295856576 /nfs/dbraw/zinc/85/65/76/295856576.db2.gz XAFKFRMBUXUZDX-OKZBNKHCSA-N 2 0 318.461 2.722 20 0 DFADRP [NH3+][C@@H]1CCCO[C@H]1C1CC[NH+](Cc2cc(F)cc(F)c2)CC1 ZINC000415106540 295858932 /nfs/dbraw/zinc/85/89/32/295858932.db2.gz JQULCDLYQOZZJD-SJORKVTESA-N 2 0 310.388 2.683 20 0 DFADRP COc1ccc2c(c1)OC[C@H]([NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1)C2 ZINC000415117613 295860186 /nfs/dbraw/zinc/86/01/86/295860186.db2.gz VTDUQVYXABDFMG-NRSFXHEJSA-N 2 0 316.445 2.509 20 0 DFADRP [NH3+][C@@H]1CCCO[C@H]1C1CC[NH+](Cc2ccc(F)cc2F)CC1 ZINC000415129765 295862535 /nfs/dbraw/zinc/86/25/35/295862535.db2.gz PPWMTXSBAVTRQS-SJORKVTESA-N 2 0 310.388 2.683 20 0 DFADRP C[C@@H]1CCC[C@@H]1[NH2+]CC1(N)CC[NH+](Cc2ccccc2)CC1 ZINC000415132672 295862731 /nfs/dbraw/zinc/86/27/31/295862731.db2.gz LLJRFMBBQOWAJS-AEFFLSMTSA-N 2 0 301.478 2.758 20 0 DFADRP CC[N@@H+]1CC[C@H](N(C)Cc2cc(F)cc3c2OCOC3)[C@H](C)C1 ZINC000174778026 198383754 /nfs/dbraw/zinc/38/37/54/198383754.db2.gz UVRSLJLDTBBXJL-DYVFJYSZSA-N 2 0 322.424 2.854 20 0 DFADRP C[C@@H](C(=O)NCc1ccc(C[N@@H+]2CCCC[C@@H]2C)cc1)[C@H](C)[NH3+] ZINC000277063017 213271807 /nfs/dbraw/zinc/27/18/07/213271807.db2.gz NNCQHWGDLKABTA-XHSDSOJGSA-N 2 0 317.477 2.661 20 0 DFADRP CC[NH+](CC)[C@H](CNC(=O)CC[C@H]1CCC[NH2+]1)c1ccsc1 ZINC000292186222 222894103 /nfs/dbraw/zinc/89/41/03/222894103.db2.gz XDCITQQLLJWIDH-HZPDHXFCSA-N 2 0 323.506 2.779 20 0 DFADRP C[C@H]1CCC[N@H+](Cc2ccc(NC(=O)C[C@@H]3CC[NH2+]C3)cc2)C1 ZINC000130382711 283047814 /nfs/dbraw/zinc/04/78/14/283047814.db2.gz AJELEGTZSPGQFX-RDJZCZTQSA-N 2 0 315.461 2.857 20 0 DFADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCC[NH2+]Cc2c(Cl)cnn2C)C1 ZINC000130514825 283051312 /nfs/dbraw/zinc/05/13/12/283051312.db2.gz ONUOXTCHZVSTJO-OKILXGFUSA-N 2 0 312.889 2.921 20 0 DFADRP CC[N@H+](CC(=O)N1CCC[NH+](CC2CCCCC2)CC1)C1CC1 ZINC000131406796 283083684 /nfs/dbraw/zinc/08/36/84/283083684.db2.gz PHZCRRAWQKFWSC-UHFFFAOYSA-N 2 0 321.509 2.585 20 0 DFADRP C[NH+](C)C[C@@H]1CCN(Cc2ncc(-c3ccc(F)cc3)o2)C1 ZINC000113514958 398740234 /nfs/dbraw/zinc/74/02/34/398740234.db2.gz VCXSVYGMYTUEIT-ZDUSSCGKSA-N 2 0 303.381 2.864 20 0 DFADRP C[NH2+]Cc1ccccc1NC(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C ZINC000415908298 295900797 /nfs/dbraw/zinc/90/07/97/295900797.db2.gz CTCQEZQAMKLRKX-INIZCTEOSA-N 2 0 320.481 2.894 20 0 DFADRP C[NH2+]Cc1ccccc1NC(=O)NC1CC[NH+](C(C)(C)C)CC1 ZINC000415903206 295900241 /nfs/dbraw/zinc/90/02/41/295900241.db2.gz PYMJHUDISXOPJD-UHFFFAOYSA-N 2 0 318.465 2.790 20 0 DFADRP CC(C)[C@H]1CCC[N@H+](CC(=O)NC2CC[NH+](C(C)C)CC2)CC1 ZINC000114729012 398746840 /nfs/dbraw/zinc/74/68/40/398746840.db2.gz VXCSSCXULVYGCK-KRWDZBQOSA-N 2 0 323.525 2.734 20 0 DFADRP C[N@@H+]1CC[C@H](CN[C@@H]2CC[NH+]3CCC[C@H]3C2)[C@H]1c1ccccc1 ZINC000378523390 283115748 /nfs/dbraw/zinc/11/57/48/283115748.db2.gz ZWBWRNJNVSHWLU-YSTOQKLRSA-N 2 0 313.489 2.896 20 0 DFADRP C[NH+](C)CCCC1CCN(C(=O)Nc2ccc(C[NH3+])cc2)CC1 ZINC000415979873 295908141 /nfs/dbraw/zinc/90/81/41/295908141.db2.gz RJLDMOGWJSAGNJ-UHFFFAOYSA-N 2 0 318.465 2.731 20 0 DFADRP CC(C)CSCCC[NH+]1CCC(C[NH+]2CCOCC2)CC1 ZINC000132453854 283119041 /nfs/dbraw/zinc/11/90/41/283119041.db2.gz DMSRLXXKGVRDPC-UHFFFAOYSA-N 2 0 314.539 2.810 20 0 DFADRP Cc1nn(C)c2ncc(C[NH2+][C@@H](CC[NH+](C)C)C(C)(C)C)cc12 ZINC000116379314 398760207 /nfs/dbraw/zinc/76/02/07/398760207.db2.gz QDSZPAOPSBBVND-INIZCTEOSA-N 2 0 317.481 2.733 20 0 DFADRP Cc1ccc(C[NH+]2CCC(C[NH+]3CCOCC3)CC2)c(C)c1 ZINC000134104929 283173129 /nfs/dbraw/zinc/17/31/29/283173129.db2.gz XDOCNRXACJZGMY-UHFFFAOYSA-N 2 0 302.462 2.848 20 0 DFADRP CC[NH+]1CCC(CCNC(=O)[C@H](C)[C@@H]([NH3+])c2ccccc2)CC1 ZINC000236852186 202037965 /nfs/dbraw/zinc/03/79/65/202037965.db2.gz GRVMVOPYLPFSPE-CRAIPNDOSA-N 2 0 317.477 2.561 20 0 DFADRP CC[NH+](CC)[C@H](C(=O)N(C)CC[C@H]([NH3+])C(C)C)c1ccccc1 ZINC000236863276 202042519 /nfs/dbraw/zinc/04/25/19/202042519.db2.gz XWRIOFAQOIDTCO-ROUUACIJSA-N 2 0 319.493 2.901 20 0 DFADRP CC[NH+](CC)Cc1ccccc1CNC(=O)[C@]1(C)CCCC[NH2+]1 ZINC000236909506 202066135 /nfs/dbraw/zinc/06/61/35/202066135.db2.gz VYKGWAZJDZXCES-IBGZPJMESA-N 2 0 317.477 2.677 20 0 DFADRP CC[C@]1(C(=O)N2CCC[C@H](C[NH+]3CCCCCC3)C2)CCC[NH2+]1 ZINC000134593880 283193332 /nfs/dbraw/zinc/19/33/32/283193332.db2.gz SJXMNJIGZRNABN-IEBWSBKVSA-N 2 0 321.509 2.633 20 0 DFADRP CC[NH+](CC)Cc1cccc(NC(=O)CC2CC[NH2+]CC2)c1 ZINC000236928015 202075230 /nfs/dbraw/zinc/07/52/30/202075230.db2.gz DBFAQXFJJVZBQL-UHFFFAOYSA-N 2 0 303.450 2.857 20 0 DFADRP CC[NH+](CC)Cc1cccc(NC(=O)[C@@]2(C)CCC[NH2+]C2)c1 ZINC000236929092 202077079 /nfs/dbraw/zinc/07/70/79/202077079.db2.gz BBKRLNJZVXZULS-SFHVURJKSA-N 2 0 303.450 2.857 20 0 DFADRP CCC[C@@H]([NH3+])C(=O)NC[C@@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC000236960028 202095974 /nfs/dbraw/zinc/09/59/74/202095974.db2.gz ZWHPUSZBAKBHCB-CVEARBPZSA-N 2 0 323.868 2.721 20 0 DFADRP CCC[C@@H]([NH3+])C(=O)NCc1ccc(C[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000236969631 202100551 /nfs/dbraw/zinc/10/05/51/202100551.db2.gz LNUAXVSODHIPPU-MAUKXSAKSA-N 2 0 317.477 2.805 20 0 DFADRP CC[C@H](C)[C@H]([NH3+])C(=O)NC1CCC([NH+]2CCC(C)CC2)CC1 ZINC000237019385 202123326 /nfs/dbraw/zinc/12/33/26/202123326.db2.gz BCRGVLBXZQIKNC-OTBWCIGPSA-N 2 0 309.498 2.519 20 0 DFADRP COc1ccc(C[C@@H](C)[NH2+]C[C@@H]2CCC[N@H+](C)C2)cc1OC ZINC000121217355 398786926 /nfs/dbraw/zinc/78/69/26/398786926.db2.gz GTADJVKUVYJHGS-ZBFHGGJFSA-N 2 0 306.450 2.566 20 0 DFADRP CC[C@@H](C)[C@@H]([NH3+])C(=O)NCc1cccc(C[NH+](CC)CC)c1 ZINC000236985406 202109221 /nfs/dbraw/zinc/10/92/21/202109221.db2.gz ZQYPNMLDCGTSTH-RHSMWYFYSA-N 2 0 305.466 2.518 20 0 DFADRP C[NH+](C)CCn1ccc2ccc(NC(=O)[C@@H]([NH3+])C(C)(C)C)cc21 ZINC000236989707 202110761 /nfs/dbraw/zinc/11/07/61/202110761.db2.gz SMJXTOCWXORUPD-MRXNPFEDSA-N 2 0 316.449 2.515 20 0 DFADRP CC[C@@H](C)[C@H]([NH3+])C(=O)Nc1cccc(CC[NH+]2CCCC2)c1 ZINC000236987988 202111108 /nfs/dbraw/zinc/11/11/08/202111108.db2.gz UCWPVIZREFLWJN-PBHICJAKSA-N 2 0 303.450 2.637 20 0 DFADRP CCC[NH+]1CCC(NC[C@@H](c2cccc(OC)c2)[NH+](C)C)CC1 ZINC000121606456 398788340 /nfs/dbraw/zinc/78/83/40/398788340.db2.gz CRCZOVJVLMQZNN-IBGZPJMESA-N 2 0 319.493 2.762 20 0 DFADRP C[N@H+](CCCNC(=O)[C@](C)([NH3+])c1ccccc1)C1CCCCC1 ZINC000237073385 202142865 /nfs/dbraw/zinc/14/28/65/202142865.db2.gz PZSIAAMZDHPCOD-LJQANCHMSA-N 2 0 317.477 2.631 20 0 DFADRP C[NH2+]C[C@H](C)C(=O)Nc1ccc(C[NH+]2CCC(C)CC2)cc1 ZINC000237076999 202145249 /nfs/dbraw/zinc/14/52/49/202145249.db2.gz SKYLTWMRRSLHBD-HNNXBMFYSA-N 2 0 303.450 2.713 20 0 DFADRP CCC[NH+](CCC)CCCC(=O)N(C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000247278063 283208446 /nfs/dbraw/zinc/20/84/46/283208446.db2.gz FUFNWKRXOFPPLP-DLBZAZTESA-N 2 0 311.514 2.830 20 0 DFADRP C[NH2+]CCCC(=O)Nc1cccc2c1C[N@H+](CCC(C)C)C2 ZINC000237249917 202204372 /nfs/dbraw/zinc/20/43/72/202204372.db2.gz IZABWTVWHNSVAU-UHFFFAOYSA-N 2 0 303.450 2.986 20 0 DFADRP COc1ccc(Br)cc1CN1CC[C@@H]([NH3+])C[C@H]1C ZINC000124549684 398803535 /nfs/dbraw/zinc/80/35/35/398803535.db2.gz JUDJKFWLIYBPEP-ZWNOBZJWSA-N 2 0 313.239 2.769 20 0 DFADRP C[C@H]1C[C@@H]([NH3+])CCN1Cc1ccc(F)cc1Br ZINC000124572258 398804054 /nfs/dbraw/zinc/80/40/54/398804054.db2.gz QJGKSELOZAMDSF-CABZTGNLSA-N 2 0 301.203 2.900 20 0 DFADRP COC(=O)c1ccc2c(c1)[C@H]([NH2+]CCCC[NH+](C)C)CCC2 ZINC000594493269 398808640 /nfs/dbraw/zinc/80/86/40/398808640.db2.gz JOMGYESUVJHVFI-QGZVFWFLSA-N 2 0 304.434 2.782 20 0 DFADRP COC(=O)c1ccc2c(c1)[C@@H]([NH2+]CC1=CC[N@H+](C)CC1)CCC2 ZINC000594515484 398814535 /nfs/dbraw/zinc/81/45/35/398814535.db2.gz VQUPVKOUMOPIJD-SFHVURJKSA-N 2 0 314.429 2.702 20 0 DFADRP COc1ccccc1OC[C@H](C)C[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000179512796 199048540 /nfs/dbraw/zinc/04/85/40/199048540.db2.gz IHCPVTUGHGWYPW-PMPSAXMXSA-N 2 0 306.450 2.782 20 0 DFADRP COC(=O)c1cc(C[NH2+]Cc2cccc(C[NH+](C)C)c2)c(C)o1 ZINC000594608688 398831149 /nfs/dbraw/zinc/83/11/49/398831149.db2.gz YRAMEUJVOBREHP-UHFFFAOYSA-N 2 0 316.401 2.726 20 0 DFADRP CCC[C@@]1(C)CCC[N@H+](CC(=O)NC2CC[NH+](C(C)C)CC2)C1 ZINC000076145535 398843929 /nfs/dbraw/zinc/84/39/29/398843929.db2.gz FWRVVKOEJYUOEH-IBGZPJMESA-N 2 0 323.525 2.878 20 0 DFADRP CC[C@@H]([NH3+])C(=O)NCC(CC)(CC)[NH2+][C@H](C)c1ccccc1 ZINC000130512552 398845786 /nfs/dbraw/zinc/84/57/86/398845786.db2.gz QLUHTUXOQHUNTH-GDBMZVCRSA-N 2 0 305.466 2.750 20 0 DFADRP COC(=O)c1ccc(C[NH+]2CCC([C@@H]3CCC[NH2+]C3)CC2)cc1 ZINC000594736039 398852432 /nfs/dbraw/zinc/85/24/32/398852432.db2.gz OCOGJDPXZBEGCZ-GOSISDBHSA-N 2 0 316.445 2.685 20 0 DFADRP C[C@@H]1CCCC[N@@H+]1Cc1ccc(NC(=O)C2CC[NH2+]CC2)cc1 ZINC000237350801 202241033 /nfs/dbraw/zinc/24/10/33/202241033.db2.gz MMDKYUFWTVVALV-OAHLLOKOSA-N 2 0 315.461 2.999 20 0 DFADRP C[C@@H](CC(=O)NC1CC[NH+](C2CCCC2)CC1)[C@H]1CCC[NH2+]C1 ZINC000237399698 202255403 /nfs/dbraw/zinc/25/54/03/202255403.db2.gz AASIOWYTJFXZJJ-HOTGVXAUSA-N 2 0 321.509 2.535 20 0 DFADRP CC[NH+](CC)Cc1ccc(C(=O)NC[C@H](C2CC2)[NH+](C)C)cc1 ZINC000076925652 398875708 /nfs/dbraw/zinc/87/57/08/398875708.db2.gz MBACKBXWABSMIW-GOSISDBHSA-N 2 0 317.477 2.598 20 0 DFADRP CC[C@@H]([NH2+]CCN1CCC([NH+](C)C)CC1)c1ccccc1F ZINC000180712320 199200345 /nfs/dbraw/zinc/20/03/45/199200345.db2.gz HUSKSVQUVGBMQJ-GOSISDBHSA-N 2 0 307.457 2.892 20 0 DFADRP OC[C@H]1CC[C@H]([NH2+][C@H]2CCCN(Cc3ccccc3)C2)CC1 ZINC000468511675 299279465 /nfs/dbraw/zinc/27/94/65/299279465.db2.gz UHMXYZYFJZQHMK-FHWLQOOXSA-N 2 0 302.462 2.792 20 0 DFADRP CCc1oc(C(=O)OC)cc1C[NH+]1CCC(CC[NH+](C)C)CC1 ZINC000177201665 283427847 /nfs/dbraw/zinc/42/78/47/283427847.db2.gz RJRACIALZCRILW-UHFFFAOYSA-N 2 0 322.449 2.792 20 0 DFADRP C[C@H]([NH2+]CCCC[N@@H+]1CCC[C@H]1CO)c1ccc(Cl)cn1 ZINC000274861348 299289493 /nfs/dbraw/zinc/28/94/93/299289493.db2.gz CYMAKXALPJSOIU-ZFWWWQNUSA-N 2 0 311.857 2.623 20 0 DFADRP C[C@@H]([NH2+][C@@H](C)CCN1CC[NH+](C)CC1)[C@@H](C)c1ccccc1 ZINC000186586513 199977391 /nfs/dbraw/zinc/97/73/91/199977391.db2.gz YWZACBVRXQXRQV-RCCFBDPRSA-N 2 0 303.494 2.794 20 0 DFADRP CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)C[NH+]2[C@H](C)CC[C@@H]2C)C1 ZINC000469985516 299290878 /nfs/dbraw/zinc/29/08/78/299290878.db2.gz YKSDNTVCEYYQNB-IXDOHACOSA-N 2 0 323.525 2.876 20 0 DFADRP CCCc1cccc(C[N@@H+]2CC[C@H](N3CC[NH+](CC)CC3)C2)c1 ZINC000186937671 200034250 /nfs/dbraw/zinc/03/42/50/200034250.db2.gz CZQLLAADSFGEHT-FQEVSTJZSA-N 2 0 315.505 2.851 20 0 DFADRP CN1c2ccc(C[NH2+][C@H]3CCC[C@H]([NH+](C)C)C3)cc2CCC1=O ZINC000187281867 200088678 /nfs/dbraw/zinc/08/86/78/200088678.db2.gz JETVFMNUHRJOKG-IRXDYDNUSA-N 2 0 315.461 2.558 20 0 DFADRP COC(=O)CC1CCC([NH2+]CC[C@H](C)[NH+]2CCCCC2)CC1 ZINC000599046001 398912553 /nfs/dbraw/zinc/91/25/53/398912553.db2.gz VEGFDFGRVBQLCI-GTPINHCMSA-N 2 0 310.482 2.962 20 0 DFADRP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@H](C)Cc2ccccc2F)CC1 ZINC000187957001 200183103 /nfs/dbraw/zinc/18/31/03/200183103.db2.gz FDQNOMWKARSHSX-IAGOWNOFSA-N 2 0 321.484 2.620 20 0 DFADRP C[C@@H](C[NH2+][C@@H]1CC[C@@](C)(c2ccccc2)C1)N1CC[NH+](C)CC1 ZINC000187966923 200183866 /nfs/dbraw/zinc/18/38/66/200183866.db2.gz OFOSMDITRBSNIR-DFQSSKMNSA-N 2 0 315.505 2.722 20 0 DFADRP C[C@H](CC(=O)NCC(C)(C)[N@@H+]1CCC[C@@H](C)C1)[C@@H]1CCC[NH2+]C1 ZINC000237531149 202273211 /nfs/dbraw/zinc/27/32/11/202273211.db2.gz DCPHCEGQEQAIGG-BRWVUGGUSA-N 2 0 323.525 2.639 20 0 DFADRP C[C@]1(C(=O)Nc2ccc(CC[NH+]3CCCC3)cc2)CCC[NH2+]C1 ZINC000237606744 202301055 /nfs/dbraw/zinc/30/10/55/202301055.db2.gz CBCGLNPHMBPHRG-IBGZPJMESA-N 2 0 315.461 2.653 20 0 DFADRP C[C@@H]1C[C@H](NC(=O)c2ccc(C[NH3+])cc2)C[N@@H+]1Cc1ccccc1 ZINC000237591382 202294623 /nfs/dbraw/zinc/29/46/23/202294623.db2.gz CDRGRKDFEZUIRS-BEFAXECRSA-N 2 0 323.440 2.538 20 0 DFADRP C[C@@H](C[C@@H]1COCC[NH2+]1)NCC1([NH+]2CCCCC2)CCCCC1 ZINC000261949436 296000858 /nfs/dbraw/zinc/00/08/58/296000858.db2.gz WBVHBAGDCQXKLX-ZWKOTPCHSA-N 2 0 323.525 2.532 20 0 DFADRP C[NH+]1CCN(c2cc(C[NH2+][C@@H]3CCC34CCCC4)ccn2)CC1 ZINC000189068705 200343676 /nfs/dbraw/zinc/34/36/76/200343676.db2.gz OXKVZAKIDCAXRS-QGZVFWFLSA-N 2 0 314.477 2.646 20 0 DFADRP C[C@@H]([NH2+]C[C@H](C)CN1CC[NH+](C)CC1)[C@@H]1C[C@H]1c1cccs1 ZINC000417318639 296009501 /nfs/dbraw/zinc/00/95/01/296009501.db2.gz ZJJWEKNSIGRXAD-VVLHAWIVSA-N 2 0 321.534 2.713 20 0 DFADRP C[C@H]([NH2+][C@H](CO)CC1CCC1)c1cccc(OCC[NH+](C)C)c1 ZINC000281155360 216117149 /nfs/dbraw/zinc/11/71/49/216117149.db2.gz OTTVRMWAVMGOTJ-YJBOKZPZSA-N 2 0 320.477 2.829 20 0 DFADRP COC(=O)CCCC[NH+]1CCC(CCC[NH+]2CCCC2)CC1 ZINC000599336766 398956273 /nfs/dbraw/zinc/95/62/73/398956273.db2.gz QBCCEGWDHWEEDI-UHFFFAOYSA-N 2 0 310.482 2.918 20 0 DFADRP C[NH2+]Cc1cccc(NC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)c1 ZINC000269123595 283609663 /nfs/dbraw/zinc/60/96/63/283609663.db2.gz ABJMCKWRDIHREK-QGZVFWFLSA-N 2 0 303.450 2.855 20 0 DFADRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+]Cc1cc(Cl)cs1 ZINC000193221983 201008071 /nfs/dbraw/zinc/00/80/71/201008071.db2.gz DEVNHRJVDFELHY-GFCCVEGCSA-N 2 0 301.887 2.517 20 0 DFADRP Cn1ccnc1CN1CCCC[C@H]1[C@H](C[NH3+])Cc1ccccc1 ZINC000472344774 299323980 /nfs/dbraw/zinc/32/39/80/299323980.db2.gz LSKKLEOWECOOFH-ROUUACIJSA-N 2 0 312.461 2.592 20 0 DFADRP c1cc(CCC[NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)cc2c1OCC2 ZINC000193269875 201016727 /nfs/dbraw/zinc/01/67/27/201016727.db2.gz PXWRADIYWVZNSR-INIZCTEOSA-N 2 0 300.446 2.628 20 0 DFADRP C[C@H]([NH3+])CCC(=O)NCc1cccc(C[NH+]2CCCCCC2)c1 ZINC000193306067 201025649 /nfs/dbraw/zinc/02/56/49/201025649.db2.gz QFCYEPGJRFSYDF-INIZCTEOSA-N 2 0 317.477 2.806 20 0 DFADRP C[C@H]([NH3+])CCC(=O)NCc1ccccc1C[NH+]1CCCCCC1 ZINC000193307447 201025752 /nfs/dbraw/zinc/02/57/52/201025752.db2.gz CVXFINOGQZDCDM-INIZCTEOSA-N 2 0 317.477 2.806 20 0 DFADRP CC(C)CCn1cccc1C[NH2+]C1CCN(CC[NH+](C)C)CC1 ZINC000161618781 398977206 /nfs/dbraw/zinc/97/72/06/398977206.db2.gz YYBIGCNOLAXAGQ-UHFFFAOYSA-N 2 0 320.525 2.650 20 0 DFADRP C[C@H](C(=O)N(C)C1CCCCC1)[NH+]1CCC(CC[NH+](C)C)CC1 ZINC000056523455 398976542 /nfs/dbraw/zinc/97/65/42/398976542.db2.gz MMBLGZIHAGURCF-MRXNPFEDSA-N 2 0 323.525 2.830 20 0 DFADRP C[NH+](C)CCN1CCC([NH2+]CCSCc2ccccc2)CC1 ZINC000193901306 201142166 /nfs/dbraw/zinc/14/21/66/201142166.db2.gz LAWRWQNHCDBMTE-UHFFFAOYSA-N 2 0 321.534 2.535 20 0 DFADRP CC(C)C[C@H](C(=O)OC(C)(C)C)N1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000599425521 398978210 /nfs/dbraw/zinc/97/82/10/398978210.db2.gz LBFCBGFSXUIBPB-QAPCUYQASA-N 2 0 310.482 2.770 20 0 DFADRP CCN1CC[NH+](CCCC[NH2+]Cc2ccc(C)c(OC)c2)CC1 ZINC000194207316 201197727 /nfs/dbraw/zinc/19/77/27/201197727.db2.gz AZFICHZXBYVVLE-UHFFFAOYSA-N 2 0 319.493 2.511 20 0 DFADRP C[C@H]([NH3+])[C@H]1CCCCN1C(=O)NCCCCC[NH+]1CCCCC1 ZINC000417720214 296043936 /nfs/dbraw/zinc/04/39/36/296043936.db2.gz XKSVSCZQDRKCHH-DLBZAZTESA-N 2 0 324.513 2.554 20 0 DFADRP CC(C)c1ccc([C@H]([NH3+])CNC(=O)[C@H]2[NH2+]CCCC2(C)C)cc1 ZINC000417783756 296050436 /nfs/dbraw/zinc/05/04/36/296050436.db2.gz ACBCRQLGFXQQHR-IAGOWNOFSA-N 2 0 317.477 2.704 20 0 DFADRP CCc1cccc(Cl)c1C[NH2+]C[C@H](C)CN1CC[NH+](C)CC1 ZINC000474367992 299336011 /nfs/dbraw/zinc/33/60/11/299336011.db2.gz IJNSMMJVGVCBMS-HNNXBMFYSA-N 2 0 323.912 2.876 20 0 DFADRP C[C@H](CC(=O)N[C@H](CCC[NH3+])c1ccccc1)C1CC[NH2+]CC1 ZINC000417828792 296055530 /nfs/dbraw/zinc/05/55/30/296055530.db2.gz HSRJABVBDYJXTI-CRAIPNDOSA-N 2 0 317.477 2.609 20 0 DFADRP C[NH2+][C@@H](CC(C)(C)C)C(=O)N[C@H](CCC[NH3+])c1ccccc1 ZINC000417830736 296055731 /nfs/dbraw/zinc/05/57/31/296055731.db2.gz JXHNPIFTDYCVPK-CVEARBPZSA-N 2 0 305.466 2.607 20 0 DFADRP CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)CC[C@H]2CCC[NH2+]C2)C1 ZINC000621648518 399007845 /nfs/dbraw/zinc/00/78/45/399007845.db2.gz WWVATLBZUODHRT-DLBZAZTESA-N 2 0 323.525 2.783 20 0 DFADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)CC[C@H]2CCC[NH2+]C2)C1 ZINC000621642979 399007899 /nfs/dbraw/zinc/00/78/99/399007899.db2.gz YUKOIHXNXMRIMS-FGTMMUONSA-N 2 0 323.525 2.641 20 0 DFADRP O[C@H](C[NH2+][C@H]1CC[C@@H](Cc2ccccc2)C1)C[NH+]1CCCCC1 ZINC000249084945 283767648 /nfs/dbraw/zinc/76/76/48/283767648.db2.gz FCFVGEVYCJKXMZ-SLFFLAALSA-N 2 0 316.489 2.834 20 0 DFADRP CCn1cncc1C[NH2+]Cc1ccc(OCCC[NH+](C)C)cc1 ZINC000417900142 296061860 /nfs/dbraw/zinc/06/18/60/296061860.db2.gz LOIFEIZQUBYINY-UHFFFAOYSA-N 2 0 316.449 2.523 20 0 DFADRP c1ccc(C[NH+]2C[C@H]3C[N@H+](CCC4CCOCC4)C[C@H]3C2)cc1 ZINC000292942787 223319530 /nfs/dbraw/zinc/31/95/30/223319530.db2.gz NPAKSJAADYTDNQ-BGYRXZFFSA-N 2 0 314.473 2.867 20 0 DFADRP Cc1cc(C[NH+](C)C)cc(NC(=O)CC[C@@H]2CCC[NH2+]C2)c1 ZINC000621658143 399011596 /nfs/dbraw/zinc/01/15/96/399011596.db2.gz ALTJXLXRFFGJIE-HNNXBMFYSA-N 2 0 303.450 2.775 20 0 DFADRP CCn1cncc1C[NH2+][C@@H](C)[C@@H](c1ccccc1C)N(C)C ZINC000418006124 296070882 /nfs/dbraw/zinc/07/08/82/296070882.db2.gz BPXQDKCDPBRJFP-YJBOKZPZSA-N 2 0 300.450 2.992 20 0 DFADRP C[C@H]1C[N@H+](CCC[NH2+]C[C@@H]2C[C@H]2c2ccccc2)CCCO1 ZINC000418031084 296073253 /nfs/dbraw/zinc/07/32/53/296073253.db2.gz LGQDKPXZUDRSST-WDSOQIARSA-N 2 0 302.462 2.881 20 0 DFADRP CC[NH+]1CCN(CCC[NH2+][C@H](c2ccccc2)C2CC2)CC1 ZINC000091285072 193031713 /nfs/dbraw/zinc/03/17/13/193031713.db2.gz TVALHRHSMZYLJH-LJQANCHMSA-N 2 0 301.478 2.755 20 0 DFADRP c1ccc2c(c1)COC[C@@H]2[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000418103081 296078397 /nfs/dbraw/zinc/07/83/97/296078397.db2.gz IJJLVTHKJDSMSV-IBGZPJMESA-N 2 0 309.413 2.912 20 0 DFADRP c1ccc2c(c1)COC[C@H]2[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000418103085 296078550 /nfs/dbraw/zinc/07/85/50/296078550.db2.gz IJJLVTHKJDSMSV-LJQANCHMSA-N 2 0 309.413 2.912 20 0 DFADRP CC[N@@H+]1CC[C@@H]([NH2+]CCOCc2ccc(OC)cc2)[C@H](C)C1 ZINC000091741196 193100617 /nfs/dbraw/zinc/10/06/17/193100617.db2.gz VXSFIYQFNXBELC-CRAIPNDOSA-N 2 0 306.450 2.532 20 0 DFADRP CC[N@H+](Cc1ccc(C(=O)N(C)CC2C[NH+](C)C2)cc1)C(C)C ZINC000618194153 399039511 /nfs/dbraw/zinc/03/95/11/399039511.db2.gz RWNHUIZXSHPJCB-UHFFFAOYSA-N 2 0 317.477 2.551 20 0 DFADRP CCC([NH3+])(CC)CNC(=O)NC[C@H]([NH3+])c1ccc(C(C)C)cc1 ZINC000418346374 296087017 /nfs/dbraw/zinc/08/70/17/296087017.db2.gz HUTAGRKCPUTONU-INIZCTEOSA-N 2 0 320.481 2.627 20 0 DFADRP COC(=O)[C@@H]1CC[N@H+](CCC[NH+]2CCCCC2)[C@@H]2CCCC[C@@H]12 ZINC000595729368 399058775 /nfs/dbraw/zinc/05/87/75/399058775.db2.gz DWEOUFNZCJOPOC-RCCFBDPRSA-N 2 0 322.493 2.916 20 0 DFADRP CO[C@H](C)[C@H](C)[NH2+]Cc1ccc(C[NH+]2C[C@H](C)O[C@@H](C)C2)cc1 ZINC000268781114 283937375 /nfs/dbraw/zinc/93/73/75/283937375.db2.gz XTBXPDJEDKKPSR-LUKYLMHMSA-N 2 0 320.477 2.809 20 0 DFADRP CCC[N@@H+]1CC[C@@H](C[NH2+][C@@H]2CCN(C(C)=O)c3ccccc32)C1 ZINC000621750262 399065146 /nfs/dbraw/zinc/06/51/46/399065146.db2.gz MBTMEVRKWSOGOU-FUHWJXTLSA-N 2 0 315.461 2.806 20 0 DFADRP CCC[N@@H+]1CC[C@H](C[NH2+][C@H]2CCN(C(C)=O)c3ccccc32)C1 ZINC000621750261 399065545 /nfs/dbraw/zinc/06/55/45/399065545.db2.gz MBTMEVRKWSOGOU-AEFFLSMTSA-N 2 0 315.461 2.806 20 0 DFADRP CC[NH+]1CCC(C[NH2+][C@@H]2CCN(C(C)=O)c3ccccc32)CC1 ZINC000621751771 399066383 /nfs/dbraw/zinc/06/63/83/399066383.db2.gz NRJXVEZJRTVVHU-GOSISDBHSA-N 2 0 315.461 2.806 20 0 DFADRP CC(=O)N1CC[C@H]([NH2+]CCC2CC[NH+](C)CC2)c2ccccc21 ZINC000621751300 399066397 /nfs/dbraw/zinc/06/63/97/399066397.db2.gz DAXRNHGFQQDZNO-SFHVURJKSA-N 2 0 315.461 2.806 20 0 DFADRP CC(=O)N1CC[C@H]([NH2+]CC2(C)CC[NH+](C)CC2)c2ccccc21 ZINC000621759205 399069192 /nfs/dbraw/zinc/06/91/92/399069192.db2.gz RJBJQBLQSCLWPI-KRWDZBQOSA-N 2 0 315.461 2.806 20 0 DFADRP CCO[C@@H]1CCC[NH+](C/C=C/C[N@H+]2CCC[C@@H](OCC)C2)C1 ZINC000606439222 399070715 /nfs/dbraw/zinc/07/07/15/399070715.db2.gz LHFHNXKMGWIFEJ-PJHKVULZSA-N 2 0 310.482 2.544 20 0 DFADRP CC(C)C[C@H](CNC1=[NH+]CCCN1)[NH2+][C@H](C)c1ccccc1 ZINC000479290766 299374974 /nfs/dbraw/zinc/37/49/74/299374974.db2.gz SYACNSQYTVFHNH-NVXWUHKLSA-N 2 0 302.466 2.691 20 0 DFADRP C[C@@H]([NH2+]CC1(N2CCCCC2)CC[NH+](C)CC1)c1ccoc1 ZINC000177984068 296118688 /nfs/dbraw/zinc/11/86/88/296118688.db2.gz XHMMRUXBDQHIFX-MRXNPFEDSA-N 2 0 305.466 2.881 20 0 DFADRP CCC[C@](C)([NH3+])C(=O)N[C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000261545210 203076349 /nfs/dbraw/zinc/07/63/49/203076349.db2.gz JQMSQMHRUDDNDJ-WDYCEAGBSA-N 2 0 317.477 2.531 20 0 DFADRP CC[NH+](CC)Cc1cccc(CNC(=O)CC[C@H]2CC[NH2+]C2)c1 ZINC000261717416 203101038 /nfs/dbraw/zinc/10/10/38/203101038.db2.gz DVFONTYNBDZCTE-INIZCTEOSA-N 2 0 317.477 2.534 20 0 DFADRP Cc1ccc(C[NH2+]CC2CC[NH+](C)CC2)c(-c2ccnn2C)c1 ZINC000338455769 284114852 /nfs/dbraw/zinc/11/48/52/284114852.db2.gz RODWYUSQCOUEGG-UHFFFAOYSA-N 2 0 312.461 2.827 20 0 DFADRP CC[NH+]1CCC(NC(=O)C[N@H+](C)[C@H]2CCC[C@@H]2C(C)(C)C)CC1 ZINC000419327192 296134810 /nfs/dbraw/zinc/13/48/10/296134810.db2.gz NIPIJINDBXUYAG-IRXDYDNUSA-N 2 0 323.525 2.734 20 0 DFADRP Cc1ccc([C@H]([NH3+])C(=O)NCCC[N@@H+](C)C2CCCCC2)cc1 ZINC000261810771 203122529 /nfs/dbraw/zinc/12/25/29/203122529.db2.gz GMQXGKHLYRLHDG-SFHVURJKSA-N 2 0 317.477 2.766 20 0 DFADRP CC[NH+](CC)Cc1cccc(CNC(=O)[C@H]2CC[NH2+][C@@H](C)C2)c1 ZINC000262361340 203274699 /nfs/dbraw/zinc/27/46/99/203274699.db2.gz IQIZDEPOGDASEZ-YJBOKZPZSA-N 2 0 317.477 2.533 20 0 DFADRP C[C@@H]([NH2+]C(C)(C)CNC(=O)[C@H]1CC[NH2+][C@@H](C)C1)c1ccccc1 ZINC000262465768 203302643 /nfs/dbraw/zinc/30/26/43/203302643.db2.gz WGXDVAIDIOBLTK-UXLLHSPISA-N 2 0 317.477 2.620 20 0 DFADRP C[C@@H]([NH3+])[C@H](C)C(=O)NCC1([NH2+][C@@H](C)c2ccccc2)CCCC1 ZINC000262521724 203318770 /nfs/dbraw/zinc/31/87/70/203318770.db2.gz IQWNWLNNMBFLOD-XHSDSOJGSA-N 2 0 317.477 2.750 20 0 DFADRP CC[N@@H+]1CCC[C@H](N[C@H]2CC[NH+](C)[C@H](c3ccccc3)C2)C1 ZINC000340193108 284157334 /nfs/dbraw/zinc/15/73/34/284157334.db2.gz SLWCHIPIKPJVBS-FHWLQOOXSA-N 2 0 301.478 2.896 20 0 DFADRP Cc1ccc([C@H]([NH3+])C(=O)NCCCC[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000262631270 203357842 /nfs/dbraw/zinc/35/78/42/203357842.db2.gz HEMJCHOYSNNTFG-AEFFLSMTSA-N 2 0 317.477 2.623 20 0 DFADRP CCC[C@@](C)([NH3+])C(=O)NCC(C)(C)[NH2+][C@@H](C)c1ccccc1 ZINC000262690863 203381513 /nfs/dbraw/zinc/38/15/13/203381513.db2.gz AJWCGUWPJVKVPZ-KBXCAEBGSA-N 2 0 305.466 2.750 20 0 DFADRP Cc1ccc([C@@H]([NH3+])C(=O)NCCCC[NH+]2CCC(C)CC2)cc1 ZINC000262659629 203369106 /nfs/dbraw/zinc/36/91/06/203369106.db2.gz NHABOGAZOOYMND-GOSISDBHSA-N 2 0 317.477 2.623 20 0 DFADRP COC(=O)c1ccc(C[NH+]2CCC([C@@H]3CCC[NH2+]C3)CC2)s1 ZINC000595900879 399128273 /nfs/dbraw/zinc/12/82/73/399128273.db2.gz OLADFFJQJRVRSM-CQSZACIVSA-N 2 0 322.474 2.746 20 0 DFADRP COC(=O)c1cc(C[NH+]2CCC([C@@H]3CCC[NH2+]C3)CC2)cs1 ZINC000595901591 399129067 /nfs/dbraw/zinc/12/90/67/399129067.db2.gz YLVYBUIBLDWQBW-OAHLLOKOSA-N 2 0 322.474 2.746 20 0 DFADRP C[NH+]1CCC(N2CCC([NH2+]Cc3ccc(Cl)o3)CC2)CC1 ZINC000340446152 284184672 /nfs/dbraw/zinc/18/46/72/284184672.db2.gz WULOQZDQNQQPMA-UHFFFAOYSA-N 2 0 311.857 2.581 20 0 DFADRP C[C@H](C(=O)NCCC[NH2+]C1CCCCC1)[NH+]1CCCCCC1 ZINC000419919725 296151637 /nfs/dbraw/zinc/15/16/37/296151637.db2.gz LNMZUIYDTSXGML-MRXNPFEDSA-N 2 0 309.498 2.680 20 0 DFADRP CC(C)C[N@@H+]1CCC[C@H](C[NH2+][C@@H](Cn2cccn2)C(C)C)C1 ZINC000340523624 284187997 /nfs/dbraw/zinc/18/79/97/284187997.db2.gz GZPQPGFFXVLUCS-MSOLQXFVSA-N 2 0 306.498 2.865 20 0 DFADRP CC[NH+](CC)Cc1ccc(C(=O)N2CCC[C@H]2C[NH+](C)C)cc1 ZINC000263931334 203641609 /nfs/dbraw/zinc/64/16/09/203641609.db2.gz YDJSMBLBXOOCJP-SFHVURJKSA-N 2 0 317.477 2.695 20 0 DFADRP C[C@@H]([NH2+]C1CCC(O)CC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000274925756 212038694 /nfs/dbraw/zinc/03/86/94/212038694.db2.gz PUAXHTIDCGBMRS-BJMVHTGZSA-N 2 0 302.462 2.790 20 0 DFADRP COC(=O)c1ccc(C[N@@H+]2CCC[C@@H](C)[C@H]2CCC[NH3+])s1 ZINC000595911233 399132167 /nfs/dbraw/zinc/13/21/67/399132167.db2.gz TZCZZTDMAMBNMO-TZMCWYRMSA-N 2 0 310.463 2.874 20 0 DFADRP CCOc1cc2[nH+]ccc(NCC[C@@H](C)[NH3+])c2cc1OCC ZINC000420161130 296159891 /nfs/dbraw/zinc/15/98/91/296159891.db2.gz VPJXWHBCRWKCGD-GFCCVEGCSA-N 2 0 303.406 2.603 20 0 DFADRP CCOc1cc2[nH+]ccc(N3CC[NH2+][C@H](C)C3)c2cc1OCC ZINC000420202522 296162062 /nfs/dbraw/zinc/16/20/62/296162062.db2.gz NUHRZGYCBBZXQM-CYBMUJFWSA-N 2 0 315.417 2.830 20 0 DFADRP COc1cc2c(cc1F)[nH+]ccc2N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000420227716 296163972 /nfs/dbraw/zinc/16/39/72/296163972.db2.gz JLSBWRRGIJTYNZ-QGZVFWFLSA-N 2 0 301.365 2.572 20 0 DFADRP CCOc1cc2[nH+]ccc(N[C@H](C)CCC[NH3+])c2cc1OCC ZINC000420272485 296167981 /nfs/dbraw/zinc/16/79/81/296167981.db2.gz WQRAEMWLBPIJRF-CYBMUJFWSA-N 2 0 317.433 2.993 20 0 DFADRP Cc1cc(-c2noc(C[NH+]3CCC([C@@H](C)[NH3+])CC3)n2)ccc1F ZINC000420281445 296168810 /nfs/dbraw/zinc/16/88/10/296168810.db2.gz ARYVJRRXFOSBEW-GFCCVEGCSA-N 2 0 318.396 2.743 20 0 DFADRP C[NH2+]C1CCN(Cc2cncc(OCc3ccccc3)c2)CC1 ZINC000420285633 296169264 /nfs/dbraw/zinc/16/92/64/296169264.db2.gz DMRVVBBUIARYIO-UHFFFAOYSA-N 2 0 311.429 2.844 20 0 DFADRP CCc1ccccc1[C@H]([NH3+])CNc1cncc(-n2ccnc2C)n1 ZINC000420285463 296169276 /nfs/dbraw/zinc/16/92/76/296169276.db2.gz VRYCWTPWNXDAJE-MRXNPFEDSA-N 2 0 322.416 2.645 20 0 DFADRP COCc1cc(N2CC[C@H](C)[C@H](C[NH3+])C2)c2cc(F)ccc2n1 ZINC000420285375 296169349 /nfs/dbraw/zinc/16/93/49/296169349.db2.gz OWDFWBQIWIWJCM-QWHCGFSZSA-N 2 0 317.408 2.941 20 0 DFADRP CC[NH+](CC)CCCCNC(=O)[C@H](c1ccccc1)[N@H+](C)CC ZINC000264869127 204224208 /nfs/dbraw/zinc/22/42/08/204224208.db2.gz GIKSDYQLPYCPQH-SFHVURJKSA-N 2 0 319.493 2.918 20 0 DFADRP COC(=O)C[C@@H]1CC[C@H]([NH2+]C[C@H]2CCC[N@H+](CC3CC3)C2)[C@@H]1C ZINC000596058069 399157768 /nfs/dbraw/zinc/15/77/68/399157768.db2.gz BXWVKOQSMNTXJV-BGTYHANMSA-N 2 0 322.493 2.676 20 0 DFADRP CCOC(=O)c1oc2ccccc2c1CN[C@](C)(C[NH3+])C1CC1 ZINC000420289361 296169798 /nfs/dbraw/zinc/16/97/98/296169798.db2.gz KFIZLDGOZYJNJX-GOSISDBHSA-N 2 0 316.401 2.827 20 0 DFADRP CC(C)[C@H]([NH3+])CCN(C)Cc1ccn(-c2c(F)cccc2F)n1 ZINC000420290359 296169984 /nfs/dbraw/zinc/16/99/84/296169984.db2.gz LWKPPGLDGZFAIW-MRXNPFEDSA-N 2 0 322.403 2.956 20 0 DFADRP COC(=O)[C@@H](c1cccc(Cl)c1)N1CCC([C@H](C)[NH3+])CC1 ZINC000420289315 296170002 /nfs/dbraw/zinc/17/00/02/296170002.db2.gz IATDFZVMTNVKAK-XHDPSFHLSA-N 2 0 310.825 2.613 20 0 DFADRP COc1ccc([C@H](C[NH3+])C[N@@H+]2CCc3sccc3C2)cc1 ZINC000420295884 296170439 /nfs/dbraw/zinc/17/04/39/296170439.db2.gz BCBCEMQCRMHWSC-OAHLLOKOSA-N 2 0 302.443 2.857 20 0 DFADRP COC(=O)c1cc2cc(C[NH+]3CCC([C@H](C)[NH3+])CC3)ccc2o1 ZINC000420303848 296172052 /nfs/dbraw/zinc/17/20/52/296172052.db2.gz XNBBYHYKOREQCA-LBPRGKRZSA-N 2 0 316.401 2.779 20 0 DFADRP Cn1ccnc1C[N@H+](CCCCCF)[C@@H]1CC12CC[NH2+]CC2 ZINC000420305609 296172451 /nfs/dbraw/zinc/17/24/51/296172451.db2.gz GSLGQVXIUZSFCK-OAHLLOKOSA-N 2 0 308.445 2.504 20 0 DFADRP c1cc2c(c([C@@H]3CCC[N@H+]3CC[C@H]3CC[NH2+]C3)c1)OCCO2 ZINC000420305933 296172600 /nfs/dbraw/zinc/17/26/00/296172600.db2.gz QDSFFDLCLOSFSW-ZBFHGGJFSA-N 2 0 302.418 2.594 20 0 DFADRP c1csc(C[N@@H+](CC[C@@H]2CCCO2)[C@@H]2CC23CC[NH2+]CC3)n1 ZINC000420309465 296173092 /nfs/dbraw/zinc/17/30/92/296173092.db2.gz LLXDKCISHAWKOY-LSDHHAIUSA-N 2 0 321.490 2.656 20 0 DFADRP O=C(NC1CC[NH+](CC[C@@H]2CCC[NH2+]C2)CC1)C1CCCCC1 ZINC000420312360 296173416 /nfs/dbraw/zinc/17/34/16/296173416.db2.gz WUUPDXIWISXTKR-INIZCTEOSA-N 2 0 321.509 2.537 20 0 DFADRP [NH3+]C[C@@H]1CN(CCC[NH+]2CCCCC2)C[C@H]1c1ccccc1 ZINC000420315357 296173994 /nfs/dbraw/zinc/17/39/94/296173994.db2.gz LXJPJAUWRFQHHA-MOPGFXCFSA-N 2 0 301.478 2.537 20 0 DFADRP CCOc1ccccc1NC(=O)CC[N@@H+]1CCCC[C@H]1CC[NH3+] ZINC000420314365 296173574 /nfs/dbraw/zinc/17/35/74/296173574.db2.gz KSRCHVYADJPSIP-HNNXBMFYSA-N 2 0 319.449 2.617 20 0 DFADRP COc1ccccc1CCC[NH+]1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000420318136 296174406 /nfs/dbraw/zinc/17/44/06/296174406.db2.gz PPJWKYCKKDUPGT-GOSISDBHSA-N 2 0 302.462 2.949 20 0 DFADRP CC[N@H+](CC[C@H]1CCC[NH2+]C1)Cc1ccc(OC)c(OC)c1 ZINC000420317691 296174241 /nfs/dbraw/zinc/17/42/41/296174241.db2.gz NSYILEOIBSVZIW-OAHLLOKOSA-N 2 0 306.450 2.915 20 0 DFADRP CCc1ccccc1NC(=O)[C@@H](C)[N@@H+]1CCC[C@H](CC[NH3+])C1 ZINC000420321401 296174972 /nfs/dbraw/zinc/17/49/72/296174972.db2.gz ZZYSQGJVXIISEQ-HUUCEWRRSA-N 2 0 303.450 2.637 20 0 DFADRP CCCCc1noc([C@H](C)[N@@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)n1 ZINC000420325115 296175274 /nfs/dbraw/zinc/17/52/74/296175274.db2.gz IBNWHUWUTVFWJZ-ZNMIVQPWSA-N 2 0 306.454 2.795 20 0 DFADRP Cc1cccc(NC(=O)C[N@H+](C)CC[C@H]2CCC[NH2+]C2)c1C ZINC000420324976 296175377 /nfs/dbraw/zinc/17/53/77/296175377.db2.gz VWIYSOALLMTFON-MRXNPFEDSA-N 2 0 303.450 2.563 20 0 DFADRP C[C@@H](c1c(F)cccc1F)[NH+]1CCC([C@@H]2OCC[C@H]2[NH3+])CC1 ZINC000420323299 296175438 /nfs/dbraw/zinc/17/54/38/296175438.db2.gz BHKRIFBSEILQQL-CXMBCZLWSA-N 2 0 310.388 2.854 20 0 DFADRP COc1cccc(CCC[N@@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)c1 ZINC000420326675 296175518 /nfs/dbraw/zinc/17/55/18/296175518.db2.gz KFDZMLDJCFEREZ-ZWKOTPCHSA-N 2 0 302.462 2.949 20 0 DFADRP C[N@H+](CC[C@H]1CCC[NH2+]C1)[C@H]1CCCN(c2ccccc2)C1 ZINC000420321643 296174847 /nfs/dbraw/zinc/17/48/47/296174847.db2.gz RIVOTIJXCRCCEI-MJGOQNOKSA-N 2 0 301.478 2.977 20 0 DFADRP Cc1[nH]c2ccccc2c1C(=O)C[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000420330313 296176344 /nfs/dbraw/zinc/17/63/44/296176344.db2.gz HTUVYJNKIQFBIC-GASCZTMLSA-N 2 0 311.429 2.590 20 0 DFADRP Cc1ccc(NC(=O)C[N@@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)c(C)c1 ZINC000420331380 296176471 /nfs/dbraw/zinc/17/64/71/296176471.db2.gz BVGWJYMRUIMBEB-SJORKVTESA-N 2 0 315.461 2.563 20 0 DFADRP Cc1cccc(C)c1NC(=O)[C@H](C)[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000420325767 296175782 /nfs/dbraw/zinc/17/57/82/296175782.db2.gz BUGWQLCODBIFIZ-YESZJQIVSA-N 2 0 315.461 2.562 20 0 DFADRP [NH3+]C[C@H]1C[N@@H+]([C@H]2CCCc3ccccc32)CC12CCOCC2 ZINC000420336667 296177165 /nfs/dbraw/zinc/17/71/65/296177165.db2.gz WCCLJPQBJKGJPK-WMZOPIPTSA-N 2 0 300.446 2.751 20 0 DFADRP CCCCN(CCCC)C(=O)C[N@@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420335951 296177258 /nfs/dbraw/zinc/17/72/58/296177258.db2.gz IGCJDRCSDKLBDM-MSOLQXFVSA-N 2 0 323.525 2.737 20 0 DFADRP COC(=O)c1cc(C[N@@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)c(C)s1 ZINC000420338901 296177505 /nfs/dbraw/zinc/17/75/05/296177505.db2.gz YGYGHTWLWNTGHF-KBPBESRZSA-N 2 0 322.474 2.665 20 0 DFADRP Cc1cccc(NC(=O)[C@H](C)[N@@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)c1 ZINC000420334291 296176693 /nfs/dbraw/zinc/17/66/93/296176693.db2.gz GCSXYCNZMHAEOP-GVDBMIGSSA-N 2 0 315.461 2.644 20 0 DFADRP CCc1cccc(OCC[N@@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)c1 ZINC000420332710 296176793 /nfs/dbraw/zinc/17/67/93/296176793.db2.gz DROGVJRBDASVAM-QZTJIDSGSA-N 2 0 302.462 2.949 20 0 DFADRP COc1cccc([C@@H](C)[NH+]2CCC([C@@H]3OCC[C@H]3[NH3+])CC2)c1 ZINC000420342355 296177883 /nfs/dbraw/zinc/17/78/83/296177883.db2.gz VWAYOYQWHXJTLC-XWIAVFTESA-N 2 0 304.434 2.584 20 0 DFADRP O=C(C[N@@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1)Nc1cccc(Cl)c1 ZINC000420344032 296178047 /nfs/dbraw/zinc/17/80/47/296178047.db2.gz RUDQQQXHKILSPR-KBPBESRZSA-N 2 0 321.852 2.600 20 0 DFADRP CCc1nc(C[NH2+]CCCC[NH+]2C[C@H](C)O[C@@H](C)C2)cs1 ZINC000062252773 399168196 /nfs/dbraw/zinc/16/81/96/399168196.db2.gz FQWCVJOWUZOCMM-KBPBESRZSA-N 2 0 311.495 2.685 20 0 DFADRP Cc1ccc(C)c(NC(=O)C[N@@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)c1 ZINC000420339038 296177584 /nfs/dbraw/zinc/17/75/84/296177584.db2.gz LOJRAVKFPJEMQI-IRXDYDNUSA-N 2 0 315.461 2.563 20 0 DFADRP Cc1cc([C@H]2C[N@H+](CC[C@H]3CCC[NH2+]C3)CCO2)ccc1F ZINC000420352847 296178868 /nfs/dbraw/zinc/17/88/68/296178868.db2.gz AWOACLPLINEMSF-CRAIPNDOSA-N 2 0 306.425 2.897 20 0 DFADRP c1csc(-c2noc(C[N@@H+]3CCC[C@H]([C@H]4CC[NH2+]C4)C3)n2)c1 ZINC000420346039 296178211 /nfs/dbraw/zinc/17/82/11/296178211.db2.gz XGMVXJLNJJNMRG-STQMWFEESA-N 2 0 318.446 2.620 20 0 DFADRP c1cc(-c2noc(C[N@@H+]3CCC[C@H]([C@H]4CC[NH2+]C4)C3)n2)cs1 ZINC000420346875 296178438 /nfs/dbraw/zinc/17/84/38/296178438.db2.gz ZHVJFQHYZPVGSZ-STQMWFEESA-N 2 0 318.446 2.620 20 0 DFADRP CC[NH+](CC)CCC[C@@H](C)[NH2+]C[C@@H]1CCO[C@H]1c1ccnn1C ZINC000486613839 299428374 /nfs/dbraw/zinc/42/83/74/299428374.db2.gz FCBYCEVXBBDGQR-SOLBZPMBSA-N 2 0 322.497 2.598 20 0 DFADRP COc1ccccc1COC1CC[NH+](CC[C@H]2CC[NH2+]C2)CC1 ZINC000420363224 296180372 /nfs/dbraw/zinc/18/03/72/296180372.db2.gz BLNKJMPJVHOCMH-MRXNPFEDSA-N 2 0 318.461 2.676 20 0 DFADRP CC1(C)C[N@H+](C[C@H](O)[C@@H]([NH3+])Cc2ccccc2)Cc2ccccc21 ZINC000420366926 296181017 /nfs/dbraw/zinc/18/10/17/296181017.db2.gz VGKRATXBLNMERM-PMACEKPBSA-N 2 0 324.468 2.711 20 0 DFADRP C[C@H](c1cccc(F)c1)N1CC[NH+](CC[C@H]2CCC[NH2+]C2)CC1 ZINC000420369039 296181632 /nfs/dbraw/zinc/18/16/32/296181632.db2.gz XJQYNAFYKFXMTB-IAGOWNOFSA-N 2 0 319.468 2.894 20 0 DFADRP COc1ccc(F)c(C[NH2+][C@@H](C)c2ccc(C[NH3+])nc2C)c1 ZINC000622043550 399174647 /nfs/dbraw/zinc/17/46/47/399174647.db2.gz DGPALFWOHOLNJY-NSHDSACASA-N 2 0 303.381 2.847 20 0 DFADRP Cc1cc(C)c2c(c1)C[N@@H+](C[C@H](O)[C@@H]([NH3+])Cc1ccccc1)CC2 ZINC000420379335 296183142 /nfs/dbraw/zinc/18/31/42/296183142.db2.gz VHFSLUSOTNXGGO-SFTDATJTSA-N 2 0 324.468 2.592 20 0 DFADRP COc1ccc(OCC[N@@H+]2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)cc1 ZINC000420379937 296183546 /nfs/dbraw/zinc/18/35/46/296183546.db2.gz BSKUWZXWVSOLMM-CRAIPNDOSA-N 2 0 304.434 2.538 20 0 DFADRP C[C@@H]1CCCC[C@@H]1OCC[NH+]1CCC([C@@H]2OCCC[C@H]2[NH3+])CC1 ZINC000420382950 296183878 /nfs/dbraw/zinc/18/38/78/296183878.db2.gz QADNZUMEUUAYHP-YSHGAJCASA-N 2 0 324.509 2.800 20 0 DFADRP C[C@H](c1ccccc1Cl)[N@@H+]1CCC[C@H](n2cc(C[NH3+])nn2)C1 ZINC000420390209 296184692 /nfs/dbraw/zinc/18/46/92/296184692.db2.gz ZAOMAEIKROKTKP-OCCSQVGLSA-N 2 0 319.840 2.788 20 0 DFADRP C[C@H]1CC[N@H+](CCCc2nc(-c3ccccc3)no2)C[C@H]1C[NH3+] ZINC000420385234 296184534 /nfs/dbraw/zinc/18/45/34/296184534.db2.gz SPSRTVKPQJXXFF-GOEBONIOSA-N 2 0 314.433 2.586 20 0 DFADRP C[C@@H](Cc1cccc(Cl)c1)[NH2+]CCN1CCC([NH+](C)C)CC1 ZINC000282706385 217191112 /nfs/dbraw/zinc/19/11/12/217191112.db2.gz QNPFTSXILWVOEQ-HNNXBMFYSA-N 2 0 323.912 2.887 20 0 DFADRP C[C@@H](c1ccc(Cl)cc1)[N@@H+]1CCC[C@@H](n2cc(C[NH3+])nn2)C1 ZINC000420388641 296185043 /nfs/dbraw/zinc/18/50/43/296185043.db2.gz XEVLPSPLCLUOKA-BLLLJJGKSA-N 2 0 319.840 2.788 20 0 DFADRP Cc1ccc(CC[NH+]2CCC([C@H]3C[C@H]([NH3+])CCO3)CC2)cc1 ZINC000420395740 296185735 /nfs/dbraw/zinc/18/57/35/296185735.db2.gz UPTYVTNLEMNGKS-RTBURBONSA-N 2 0 302.462 2.756 20 0 DFADRP [NH3+]CC1(O)CC[NH+](CCCSc2ccccc2Cl)CC1 ZINC000420403091 296186563 /nfs/dbraw/zinc/18/65/63/296186563.db2.gz KHJIFHPFMTUXRJ-UHFFFAOYSA-N 2 0 314.882 2.608 20 0 DFADRP c1ccc(OCCOCC[N@@H+]2CCCC[C@H]2[C@H]2CC[NH2+]C2)cc1 ZINC000420401703 296186617 /nfs/dbraw/zinc/18/66/17/296186617.db2.gz PRNVKJINXSQVRW-HKUYNNGSSA-N 2 0 318.461 2.546 20 0 DFADRP CC[N@H+](C)[C@H](C(=O)N(C)[C@@H]1CC[NH+](C)[C@H](C)C1)c1ccccc1 ZINC000266040348 205049017 /nfs/dbraw/zinc/04/90/17/205049017.db2.gz CFTFJOSDFPRAOX-NXHRZFHOSA-N 2 0 317.477 2.621 20 0 DFADRP O[C@@H]1CC[N@H+](Cc2ccccc2C[NH2+][C@@H]2CCC23CCC3)C1 ZINC000282763387 217233847 /nfs/dbraw/zinc/23/38/47/217233847.db2.gz OKCPPZHNPGGQHX-QZTJIDSGSA-N 2 0 300.446 2.676 20 0 DFADRP CC[N@H+](C)[C@H](C(=O)N(C)[C@H]1CC[NH+](C)[C@H](C)C1)c1ccccc1 ZINC000266040347 284368264 /nfs/dbraw/zinc/36/82/64/284368264.db2.gz CFTFJOSDFPRAOX-NJAFHUGGSA-N 2 0 317.477 2.621 20 0 DFADRP CC[NH+](CC)Cc1ccc(C(=O)NC[C@H](C)[NH+]2CCCC2)cc1 ZINC000063732825 399204733 /nfs/dbraw/zinc/20/47/33/399204733.db2.gz CLNJMNGAMMMUSQ-INIZCTEOSA-N 2 0 317.477 2.743 20 0 DFADRP CCC[NH+](CCC)CCCC(=O)N1CCC[N@H+](C)C[C@@H]1CC ZINC000614336631 399211561 /nfs/dbraw/zinc/21/15/61/399211561.db2.gz ZZKGINJKDXZAGG-KRWDZBQOSA-N 2 0 311.514 2.831 20 0 DFADRP C[C@H]([NH2+]C(C)(C)CNC(=O)[C@H]1CCC[NH2+][C@@H]1C)c1ccccc1 ZINC000342732715 284396211 /nfs/dbraw/zinc/39/62/11/284396211.db2.gz LCNIASWXWUMKOH-UXLLHSPISA-N 2 0 317.477 2.620 20 0 DFADRP CC[NH+](CC)Cc1ccc(C(=O)N2CC[C@H](C[N@@H+](C)CC)C2)o1 ZINC000608240792 399245117 /nfs/dbraw/zinc/24/51/17/399245117.db2.gz YATRVMIHXVSCTK-OAHLLOKOSA-N 2 0 321.465 2.535 20 0 DFADRP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@H]1CCc2ccc(Cl)cc21 ZINC000343124355 284472503 /nfs/dbraw/zinc/47/25/03/284472503.db2.gz ZOESDIDRWROUMP-DYVFJYSZSA-N 2 0 307.869 2.553 20 0 DFADRP C[C@@H](C(=O)N1CCC[N@@H+](C(C)(C)C)CC1)[NH+]1CCCCCC1 ZINC000608358142 399255859 /nfs/dbraw/zinc/25/58/59/399255859.db2.gz VEULJKWOHBAAGU-INIZCTEOSA-N 2 0 309.498 2.584 20 0 DFADRP CN(CC[NH+]1CCCCC1)C(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC000622738497 399269489 /nfs/dbraw/zinc/26/94/89/399269489.db2.gz UTDJUWFVHIYOFU-SFHVURJKSA-N 2 0 321.509 2.728 20 0 DFADRP CC[C@H](C(=O)NC[C@]1([NH+](C)C)CCC[C@@H](C)C1)[NH+](CC)CC ZINC000344038894 284572060 /nfs/dbraw/zinc/57/20/60/284572060.db2.gz IKEZXJUXAJOBEO-NUJGCVRESA-N 2 0 311.514 2.734 20 0 DFADRP C[C@H](C[NH+]1CCC(C)CC1)NC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC000618987819 399271610 /nfs/dbraw/zinc/27/16/10/399271610.db2.gz UZFPOYNPSAPZFH-AEFFLSMTSA-N 2 0 321.509 2.630 20 0 DFADRP CC[NH+](CC)CCCCNC(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC000353829968 284583823 /nfs/dbraw/zinc/58/38/23/284583823.db2.gz UENUQZZRLBSDCJ-QGZVFWFLSA-N 2 0 311.514 2.735 20 0 DFADRP Cc1ccc([C@H](C)[NH2+]C[C@H](C(C)C)N2CC[NH+](C)CC2)s1 ZINC000040770025 183131906 /nfs/dbraw/zinc/13/19/06/183131906.db2.gz YPCALOIHMMHCKO-JKSUJKDBSA-N 2 0 309.523 2.979 20 0 DFADRP C[NH+](C)Cc1cccc(NC(=O)NCc2ccc(C[NH3+])cc2)c1 ZINC000623058047 399321078 /nfs/dbraw/zinc/32/10/78/399321078.db2.gz OOBOGGZVMFTIHQ-UHFFFAOYSA-N 2 0 312.417 2.529 20 0 DFADRP C[N@H+]1CC=C(C[NH2+]Cc2sccc2Br)CC1 ZINC000274102774 211357038 /nfs/dbraw/zinc/35/70/38/211357038.db2.gz TTZBFQGVSBVYSY-UHFFFAOYSA-N 2 0 301.253 2.862 20 0 DFADRP CC(C)[C@@H](C(=O)N1CCC2(CCC([NH+](C)C)CC2)CC1)[NH+](C)C ZINC000615445019 399337312 /nfs/dbraw/zinc/33/73/12/399337312.db2.gz HFPJCRUWYDSOTE-KRWDZBQOSA-N 2 0 323.525 2.686 20 0 DFADRP c1[nH]nc2c1CN([C@H]1CC[N@@H+](Cc3ccccc3)C3(CC3)C1)CC2 ZINC000623244026 399345187 /nfs/dbraw/zinc/34/51/87/399345187.db2.gz XJOAOTKXDUJXOT-SFHVURJKSA-N 2 0 322.456 2.965 20 0 DFADRP COc1cccc([C@H](CN[C@H]2CC[N@H+](C)C(C)(C)C2)[NH+](C)C)c1 ZINC000623335881 399364955 /nfs/dbraw/zinc/36/49/55/399364955.db2.gz JUWMJCOSLPKFGR-WMZOPIPTSA-N 2 0 319.493 2.760 20 0 DFADRP C[N@@H+]1CC[C@@H]([NH2+]C2CCN(c3ccccn3)CC2)CC1(C)C ZINC000623357602 399371124 /nfs/dbraw/zinc/37/11/24/399371124.db2.gz XQCKCPMIBSDEFA-MRXNPFEDSA-N 2 0 302.466 2.513 20 0 DFADRP COC(=O)CC1(C[NH+]2CCC(C[NH+]3CCCCCC3)CC2)CC1 ZINC000619647812 399370557 /nfs/dbraw/zinc/37/05/57/399370557.db2.gz HMMCSTAGQVWYSG-UHFFFAOYSA-N 2 0 322.493 2.918 20 0 DFADRP COc1ccc(OCCC[NH2+][C@@H]2CC[N@H+](C)C(C)(C)C2)cc1 ZINC000623374986 399374923 /nfs/dbraw/zinc/37/49/23/399374923.db2.gz YAFFXODSQHDHEL-OAHLLOKOSA-N 2 0 306.450 2.927 20 0 DFADRP C[NH+](C)CCOc1ccccc1CN[C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623385590 399377758 /nfs/dbraw/zinc/37/77/58/399377758.db2.gz SSFOKYIDGFTKCK-QGZVFWFLSA-N 2 0 319.493 2.589 20 0 DFADRP CC(C)[C@@H](C(=O)NC[C@H](c1cccs1)[NH+]1CCCC1)[NH+](C)C ZINC000106427511 194211342 /nfs/dbraw/zinc/21/13/42/194211342.db2.gz JTDBSBGBWPTACC-ZBFHGGJFSA-N 2 0 323.506 2.587 20 0 DFADRP COc1cccc(N2CC[C@@H]([NH2+][C@H]3CC[N@H+](C)C(C)(C)C3)C2)c1 ZINC000623399226 399380634 /nfs/dbraw/zinc/38/06/34/399380634.db2.gz BRGNQXDYPKMQLG-JKSUJKDBSA-N 2 0 317.477 2.736 20 0 DFADRP CCOC(=O)C1CCC([NH2+]CC[C@H]([NH3+])Cc2ccccc2)CC1 ZINC000602020068 399386051 /nfs/dbraw/zinc/38/60/51/399386051.db2.gz IXBRUAAYKWHEBB-ADKAHSJRSA-N 2 0 318.461 2.658 20 0 DFADRP C[N@H+](Cc1ccccc1)C1CCC([NH2+]CC(C)(C)C(N)=O)CC1 ZINC000285293072 218369249 /nfs/dbraw/zinc/36/92/49/218369249.db2.gz RSJCLRBQPBYLDQ-UHFFFAOYSA-N 2 0 317.477 2.531 20 0 DFADRP C[N@@H+]1CC[C@@H]([NH2+][C@@H]2CCN(c3ncccc3Cl)C2)CC1(C)C ZINC000623445946 399392021 /nfs/dbraw/zinc/39/20/21/399392021.db2.gz LADOBIVKJOTLOG-ZIAGYGMSSA-N 2 0 322.884 2.776 20 0 DFADRP CCN(CC[NH2+][C@H](C)c1ccc(OCC[NH+](C)C)cc1)C1CC1 ZINC000268835557 207000871 /nfs/dbraw/zinc/00/08/71/207000871.db2.gz LFFURGWXHCPPQZ-MRXNPFEDSA-N 2 0 319.493 2.762 20 0 DFADRP CCOc1cc(C[N@@H+]2C[C@H](C[NH3+])[C@H](C)C[C@@H]2C)ccc1OC ZINC000422559461 296312395 /nfs/dbraw/zinc/31/23/95/296312395.db2.gz DBWFFTIUZRXCDG-YCPHGPKFSA-N 2 0 306.450 2.899 20 0 DFADRP C[C@@H]1C[C@H](C)[N@H+](Cc2cccc3c2OCCCO3)C[C@H]1C[NH3+] ZINC000422561481 296312538 /nfs/dbraw/zinc/31/25/38/296312538.db2.gz LKCTUYKAZJUYGN-IJEWVQPXSA-N 2 0 304.434 2.653 20 0 DFADRP C[C@H](Cn1ccnc1)[NH2+][C@H](C)c1cccc(OCC[NH+](C)C)c1 ZINC000268850010 207017846 /nfs/dbraw/zinc/01/78/46/207017846.db2.gz WKJTXWCBTSPRKM-HZPDHXFCSA-N 2 0 316.449 2.563 20 0 DFADRP CCC[NH+]1CCC([NH2+][C@@H](CO)Cc2c[nH]c3ccccc23)CC1 ZINC000268853089 207020092 /nfs/dbraw/zinc/02/00/92/207020092.db2.gz CBTFZTCZKNJJOA-QGZVFWFLSA-N 2 0 315.461 2.535 20 0 DFADRP C[N@@H+]1CC[C@H]([NH2+][C@@H]2CCOC3(CCSCC3)C2)CC1(C)C ZINC000623467162 399396089 /nfs/dbraw/zinc/39/60/89/399396089.db2.gz ZMJOOXNXTMQVEI-LSDHHAIUSA-N 2 0 312.523 2.894 20 0 DFADRP COc1ccc([C@@H](CCO)[NH2+][C@@H]2CC[N@H+](C)C(C)(C)C2)cc1 ZINC000623476852 399397656 /nfs/dbraw/zinc/39/76/56/399397656.db2.gz RHXNACRXLSQCCZ-NVXWUHKLSA-N 2 0 306.450 2.581 20 0 DFADRP C[C@H](CC[NH+](C)C)[NH2+][C@H](C)c1ccc(N2CCOC2=O)cc1 ZINC000268868406 207038432 /nfs/dbraw/zinc/03/84/32/207038432.db2.gz CPVJVPNWADUSPV-ZIAGYGMSSA-N 2 0 305.422 2.634 20 0 DFADRP COc1ccc([C@@H](CCO)[NH2+][C@H]2CC[N@H+](C)C(C)(C)C2)cc1 ZINC000623476851 399397419 /nfs/dbraw/zinc/39/74/19/399397419.db2.gz RHXNACRXLSQCCZ-DOTOQJQBSA-N 2 0 306.450 2.581 20 0 DFADRP COc1ccc(C[NH+]2CCC([C@H](C)[NH3+])CC2)c(Cl)c1OC ZINC000110830966 194361745 /nfs/dbraw/zinc/36/17/45/194361745.db2.gz WGQIWZLJCSHBIT-NSHDSACASA-N 2 0 312.841 2.916 20 0 DFADRP COc1ccc(C[NH2+]CCCC[NH+](C)C)c(Cl)c1OC ZINC000110822869 194362433 /nfs/dbraw/zinc/36/24/33/194362433.db2.gz UIBVFKZZXHFDGO-UHFFFAOYSA-N 2 0 300.830 2.789 20 0 DFADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@@H](O)C(C)(C)C ZINC000268917588 207084204 /nfs/dbraw/zinc/08/42/04/207084204.db2.gz VHKFVJGMIJHKNT-BPQIPLTHSA-N 2 0 304.478 2.894 20 0 DFADRP C[C@H]([NH3+])[C@H]1COCC[C@H]1[NH2+]CCCCCOC1CCCCC1 ZINC000422704042 296319065 /nfs/dbraw/zinc/31/90/65/296319065.db2.gz JRORZQGIOGTNFB-CGTJXYLNSA-N 2 0 312.498 2.848 20 0 DFADRP c1cc2c(cc1C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1)OCCCO2 ZINC000422702919 296318497 /nfs/dbraw/zinc/31/84/97/296318497.db2.gz LSQVAXNEYGQMQJ-IXDOHACOSA-N 2 0 316.445 2.858 20 0 DFADRP C[C@H]([NH3+])C[C@H](C)[NH2+]Cc1cccc(COC2CCOCC2)c1 ZINC000422703252 296318502 /nfs/dbraw/zinc/31/85/02/296318502.db2.gz HHBCCKIAHAUTJA-GJZGRUSLSA-N 2 0 306.450 2.598 20 0 DFADRP C[C@H]([NH3+])[C@H]1COCC[C@@H]1[NH2+]CCc1cc(Cl)cc(Cl)c1 ZINC000422707745 296319546 /nfs/dbraw/zinc/31/95/46/296319546.db2.gz AQLZXYOJRUZQKC-VQISRLSMSA-N 2 0 317.260 2.878 20 0 DFADRP [NH3+][C@@H]1CCCCC[C@H]1NC[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000422712325 296320219 /nfs/dbraw/zinc/32/02/19/296320219.db2.gz IISOJWCEBFWJGC-VAMGGRTRSA-N 2 0 315.505 2.801 20 0 DFADRP C[C@H](C[NH2+][C@@H](Cc1ccccc1)[C@H](C)[NH3+])N1CCc2ccccc21 ZINC000422709730 296319872 /nfs/dbraw/zinc/31/98/72/296319872.db2.gz DVHOPVQZCUIBLY-UWVAXJGDSA-N 2 0 323.484 2.986 20 0 DFADRP COc1ccc(C[NH2+][C@@H]2CCc3nc[nH]c3C2)cc1OC1CC1 ZINC000623527843 399408904 /nfs/dbraw/zinc/40/89/04/399408904.db2.gz KBBJLRLLFNHEHJ-CYBMUJFWSA-N 2 0 313.401 2.607 20 0 DFADRP C[C@@H]([NH2+]Cc1cccc(NC(=O)C2CCCC2)c1)[C@@H]1CC[NH2+]C1 ZINC000422714516 296320674 /nfs/dbraw/zinc/32/06/74/296320674.db2.gz RDRKMHOMLVCOIQ-RHSMWYFYSA-N 2 0 315.461 2.903 20 0 DFADRP C[N@@H+]1CC[C@H]([NH2+][C@@H]2CCN(c3ccccc3F)C2)CC1(C)C ZINC000623531165 399409801 /nfs/dbraw/zinc/40/98/01/399409801.db2.gz KXGFPCXENGNOIL-LSDHHAIUSA-N 2 0 305.441 2.867 20 0 DFADRP C[N@@H+]1CC[C@H]([NH2+][C@@H]2CCO[C@H](c3cccnc3)C2)CC1(C)C ZINC000623540391 399411576 /nfs/dbraw/zinc/41/15/76/399411576.db2.gz XREMSELVWJTDFR-IKGGRYGDSA-N 2 0 303.450 2.764 20 0 DFADRP C[C@@H](NC1CC[NH+](Cc2ccc(F)cc2)CC1)[C@H]1CCC[NH2+]1 ZINC000422724109 296321691 /nfs/dbraw/zinc/32/16/91/296321691.db2.gz ULLVTVUZDQNKPM-RDTXWAMCSA-N 2 0 305.441 2.520 20 0 DFADRP C[C@@H]([NH2+][C@@H](C)c1cccc(OCc2ccccn2)c1)C1C[NH2+]C1 ZINC000422723703 296321766 /nfs/dbraw/zinc/32/17/66/296321766.db2.gz SBWWYYLCODCANY-LSDHHAIUSA-N 2 0 311.429 2.919 20 0 DFADRP C[C@H]([NH2+][C@@H](C)C1C[NH2+]C1)c1cccc(OCc2ccccn2)c1 ZINC000422723701 296321817 /nfs/dbraw/zinc/32/18/17/296321817.db2.gz SBWWYYLCODCANY-GJZGRUSLSA-N 2 0 311.429 2.919 20 0 DFADRP C[NH+](C)C[C@H](Cc1ccccc1)N[C@H]1C[C@H]([NH3+])c2ccccc21 ZINC000422719954 296321200 /nfs/dbraw/zinc/32/12/00/296321200.db2.gz RSBONDJPZRHGDJ-VDGAXYAQSA-N 2 0 309.457 2.894 20 0 DFADRP C[N@@H+]1CC[C@@H](N[C@H]2c3sccc3OC(C)(C)[C@@H]2O)CC1(C)C ZINC000623547053 399413215 /nfs/dbraw/zinc/41/32/15/399413215.db2.gz FTXFIPQPUXKLCD-OSAQELSMSA-N 2 0 324.490 2.784 20 0 DFADRP C[C@@H]([NH3+])C[C@H](C)[NH2+]Cc1ccc(NC(=O)c2ccco2)cc1 ZINC000422721409 296321328 /nfs/dbraw/zinc/32/13/28/296321328.db2.gz VILGKSSGNZKBED-OLZOCXBDSA-N 2 0 301.390 2.747 20 0 DFADRP CCc1ccc([C@@H](CNC2C[C@H]3CC[C@@H](C2)[NH2+]3)[NH+](C)C)cc1 ZINC000422726767 296322364 /nfs/dbraw/zinc/32/23/64/296322364.db2.gz AMDHERKWIAHITF-ZZJWQFMZSA-N 2 0 301.478 2.724 20 0 DFADRP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1[NH2+]CC1(C)COC1 ZINC000346530064 284885106 /nfs/dbraw/zinc/88/51/06/284885106.db2.gz QOKMPHLTRYODOW-HZPDHXFCSA-N 2 0 302.462 2.769 20 0 DFADRP CNC(=O)CC1(C[NH2+][C@@H]2CC[N@H+](C)C(C)(C)C2)CCCCC1 ZINC000623572898 399418673 /nfs/dbraw/zinc/41/86/73/399418673.db2.gz QLGGQMHLNXYNFJ-OAHLLOKOSA-N 2 0 309.498 2.535 20 0 DFADRP CNC(=O)CC1(C[NH2+][C@H]2CC[N@H+](C)C(C)(C)C2)CCCCC1 ZINC000623572897 399419035 /nfs/dbraw/zinc/41/90/35/399419035.db2.gz QLGGQMHLNXYNFJ-HNNXBMFYSA-N 2 0 309.498 2.535 20 0 DFADRP CN(C)c1c(C[NH2+]C2CCC([NH+](C)C)CC2)ccc(F)c1F ZINC000623553189 399414339 /nfs/dbraw/zinc/41/43/39/399414339.db2.gz JLPBIAKIVFEFQR-UHFFFAOYSA-N 2 0 311.420 2.993 20 0 DFADRP CC[C@H](NC[C@H](c1cccc(OC)c1)[NH+](C)C)[C@H]1CCCC[NH2+]1 ZINC000422726544 296322203 /nfs/dbraw/zinc/32/22/03/296322203.db2.gz FELHXVTZYTWYHP-IPMKNSEASA-N 2 0 319.493 2.808 20 0 DFADRP CC(C)CC(=O)Nc1cccc(C[NH2+][C@@H](C)[C@H]2CC[NH2+]C2)c1 ZINC000422726069 296322241 /nfs/dbraw/zinc/32/22/41/296322241.db2.gz ZEURZLCMUKYGCF-HOCLYGCPSA-N 2 0 303.450 2.759 20 0 DFADRP COc1cccc([C@H](C[NH2+][C@@H]2CC[N@H+](C)C(C)(C)C2)OC)c1 ZINC000623587418 399422815 /nfs/dbraw/zinc/42/28/15/399422815.db2.gz PZVCPENPSMDNPJ-WBVHZDCISA-N 2 0 306.450 2.845 20 0 DFADRP CSCC[C@H](C)[N@H+](C)C[C@@H](O)CN(C)Cc1ccccc1 ZINC000610988885 399425308 /nfs/dbraw/zinc/42/53/08/399425308.db2.gz USLZFQXRWWFTJQ-RDJZCZTQSA-N 2 0 310.507 2.553 20 0 DFADRP C[C@@H](CC[NH+](C)C)[NH2+][C@@H](C)c1cccc(N2CCOCC2)c1 ZINC000268995761 207152300 /nfs/dbraw/zinc/15/23/00/207152300.db2.gz KNCHSFQGNYBWIP-HOTGVXAUSA-N 2 0 305.466 2.514 20 0 DFADRP C[N@H+](Cc1ccccc1CN[C@H]1CC[NH2+]C1)C1CCCCC1 ZINC000422732525 296323365 /nfs/dbraw/zinc/32/33/65/296323365.db2.gz OVUPMMPAYCPCIQ-SFHVURJKSA-N 2 0 301.478 2.903 20 0 DFADRP CCc1ccc([C@H](C[NH2+][C@@H]2CC[NH2+]CC[C@@H]2C)N(C)C)cc1 ZINC000422732793 296323444 /nfs/dbraw/zinc/32/34/44/296323444.db2.gz PIOJTJBBZBTAIF-IPELMVKDSA-N 2 0 303.494 2.829 20 0 DFADRP CCc1ccc([C@H](C[NH2+][C@@H]2CC[NH2+]CC[C@H]2C)N(C)C)cc1 ZINC000422732794 296323485 /nfs/dbraw/zinc/32/34/85/296323485.db2.gz PIOJTJBBZBTAIF-LZQZEXGQSA-N 2 0 303.494 2.829 20 0 DFADRP COC[C@H](C)Oc1ccc(C[NH2+]C[C@H]2CCCC[N@H+](C)C2)cc1 ZINC000623656808 399437418 /nfs/dbraw/zinc/43/74/18/399437418.db2.gz CGCQNHDIFSNSQV-FUHWJXTLSA-N 2 0 320.477 2.922 20 0 DFADRP CCOC(=O)c1ccc(C[NH2+]CCCC[N@@H+]2CCCC[C@@H]2C)[nH]1 ZINC000602515842 399465425 /nfs/dbraw/zinc/46/54/25/399465425.db2.gz ZRXGFWRXHVVFOD-HNNXBMFYSA-N 2 0 321.465 2.936 20 0 DFADRP CCC[N@H+](CC)Cc1ccc(C(=O)NC2(C[NH3+])CCCC2)cc1 ZINC000269151767 207277986 /nfs/dbraw/zinc/27/79/86/207277986.db2.gz SCSILPYVMWTTOG-UHFFFAOYSA-N 2 0 317.477 2.920 20 0 DFADRP CCC[N@H+](CC)Cc1ccc(C(=O)N2CC[C@H]([NH3+])[C@H](C)C2)cc1 ZINC000269200962 207320680 /nfs/dbraw/zinc/32/06/80/207320680.db2.gz KHDVLBGPFOCAEZ-QAPCUYQASA-N 2 0 317.477 2.728 20 0 DFADRP CC(C)(C[NH2+][C@@H]1CCOC[C@@H]1[C@@H]1CCC[NH2+]1)c1cccs1 ZINC000422741837 296324406 /nfs/dbraw/zinc/32/44/06/296324406.db2.gz PFYFLMBCTPFXIE-QLFBSQMISA-N 2 0 308.491 2.772 20 0 DFADRP C[C@@H](NC[C@H](c1ccccc1)[NH+]1CCCC1)[C@H]1CCCC[NH2+]1 ZINC000422737583 296324038 /nfs/dbraw/zinc/32/40/38/296324038.db2.gz ZXKTZIGTATWQIH-BHIYHBOVSA-N 2 0 301.478 2.944 20 0 DFADRP Cc1ccccc1OCCC[NH2+][C@@H]1CCOC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000422744405 296324912 /nfs/dbraw/zinc/32/49/12/296324912.db2.gz SVDFJBKNLBWSRN-FGTMMUONSA-N 2 0 318.461 2.511 20 0 DFADRP CN(C)[C@H](C[NH2+][C@H]1CCCC[C@H]1C[NH3+])c1c(F)cccc1F ZINC000422742404 296324944 /nfs/dbraw/zinc/32/49/44/296324944.db2.gz GGGNDRYZWCULLK-VBNZEHGJSA-N 2 0 311.420 2.675 20 0 DFADRP C[C@@H](C(=O)Nc1ccc2c(c1)C[NH2+]CC2)[N@H+](C)Cc1ccccc1 ZINC000269217745 207336781 /nfs/dbraw/zinc/33/67/81/207336781.db2.gz QACYDJZCKAFDEO-HNNXBMFYSA-N 2 0 323.440 2.791 20 0 DFADRP C[N@H+](CCCNC(=O)CCCCCC[NH3+])Cc1ccccc1 ZINC000269226944 207348351 /nfs/dbraw/zinc/34/83/51/207348351.db2.gz FTOYFSVKKUHAOG-UHFFFAOYSA-N 2 0 305.466 2.534 20 0 DFADRP COc1ccccc1[C@H](C[NH2+][C@H]1CCCCC[C@H]1[NH3+])N(C)C ZINC000422748949 296325727 /nfs/dbraw/zinc/32/57/27/296325727.db2.gz WVPDYAWEPAGHFO-IKGGRYGDSA-N 2 0 305.466 2.548 20 0 DFADRP C[C@H](c1ccccc1)[NH+]1CCC(N[C@@H](C)[C@H]2CC[NH2+]C2)CC1 ZINC000422748214 296325794 /nfs/dbraw/zinc/32/57/94/296325794.db2.gz SMYCUJVTCAWIBB-JZXOWHBKSA-N 2 0 301.478 2.800 20 0 DFADRP CCc1ccc(CC[NH2+][C@@H]2CCOC[C@@H]2[C@@H]2CCC[NH2+]2)cc1 ZINC000422750371 296326177 /nfs/dbraw/zinc/32/61/77/296326177.db2.gz CZCZAOSLWDBINA-CEXWTWQISA-N 2 0 302.462 2.538 20 0 DFADRP CCOc1ccc(CC[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1OCC ZINC000422751082 296326669 /nfs/dbraw/zinc/32/66/69/296326669.db2.gz CDGJHNOSUUNODH-SJPCQFCGSA-N 2 0 318.461 2.899 20 0 DFADRP Cc1nc2ccccc2n1CCC[NH2+][C@@H](C)[C@@H]1CCCC[NH2+]1 ZINC000422756034 296327329 /nfs/dbraw/zinc/32/73/29/296327329.db2.gz KZBGADYVDGGGMV-HOCLYGCPSA-N 2 0 300.450 2.855 20 0 DFADRP C[C@H](CCC[NH3+])[NH2+][C@H]1CCN(c2ccccc2OC(F)F)C1 ZINC000422754469 296327421 /nfs/dbraw/zinc/32/74/21/296327421.db2.gz FXNXPLPZBDFLQW-OLZOCXBDSA-N 2 0 313.392 2.584 20 0 DFADRP C[C@@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]CCCN1CCCCCC1=O ZINC000422760008 296328188 /nfs/dbraw/zinc/32/81/88/296328188.db2.gz PTMMGVLINWENCD-IRXDYDNUSA-N 2 0 309.498 2.680 20 0 DFADRP CCOc1ccc(CC[NH2+][C@@H](C)[C@@H]2CC[NH2+]C2)cc1OCC ZINC000422757082 296327831 /nfs/dbraw/zinc/32/78/31/296327831.db2.gz JKQNNSBUTJIJMY-GOEBONIOSA-N 2 0 306.450 2.614 20 0 DFADRP COc1ccc(OC)c(CC[NH2+][C@H]2C[C@@H]([NH3+])c3ccccc32)c1 ZINC000422761094 296328455 /nfs/dbraw/zinc/32/84/55/296328455.db2.gz MMJJOHNAOKJDOQ-MSOLQXFVSA-N 2 0 312.413 2.981 20 0 DFADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]C[C@H](c1cccs1)N(C)C ZINC000422769933 296330379 /nfs/dbraw/zinc/33/03/79/296330379.db2.gz VPHKPYWBPKDQQS-MLGOLLRUSA-N 2 0 318.490 2.864 20 0 DFADRP CCOC(=O)C1([C@H](C)[NH2+]C[C@@H](C)c2ccccc2)CC[NH2+]CC1 ZINC000422765535 296329824 /nfs/dbraw/zinc/32/98/24/296329824.db2.gz QKBHBLXIARRVLE-CVEARBPZSA-N 2 0 318.461 2.701 20 0 DFADRP C[C@H](CCC[NH3+])[NH2+][C@H]1CCOc2ccc(Br)cc21 ZINC000422769235 296329935 /nfs/dbraw/zinc/32/99/35/296329935.db2.gz VIYBSSKKJLSXCE-MFKMUULPSA-N 2 0 313.239 2.990 20 0 DFADRP COc1ccc(OC)c(CC[NH2+][C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)c1 ZINC000422768887 296329984 /nfs/dbraw/zinc/32/99/84/296329984.db2.gz VBDHPQOKTOWRMK-KZNAEPCWSA-N 2 0 318.461 2.757 20 0 DFADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]C[C@H](c1ccccc1Cl)N(C)C ZINC000422769153 296330098 /nfs/dbraw/zinc/33/00/98/296330098.db2.gz UQSJKTYIOYMQAH-XOKHGSTOSA-N 2 0 309.885 2.920 20 0 DFADRP [NH3+][C@@H]1C[C@H]([NH2+]CCCN2CCCCCC2=O)c2ccccc21 ZINC000422768215 296330123 /nfs/dbraw/zinc/33/01/23/296330123.db2.gz ZEWRXRNHUGUJMO-SJORKVTESA-N 2 0 301.434 2.514 20 0 DFADRP Cc1ccc(CSCC[NH2+][C@@H]2CCOC[C@@H]2[C@@H](C)[NH3+])cc1 ZINC000422774097 296330980 /nfs/dbraw/zinc/33/09/80/296330980.db2.gz VMOLRXDPJNQFJM-DJIMGWMZSA-N 2 0 308.491 2.570 20 0 DFADRP C[C@@H]1Cc2ccccc2N1CC[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000422773605 296330714 /nfs/dbraw/zinc/33/07/14/296330714.db2.gz YYACKFUIQQOUPE-OWYHZJEWSA-N 2 0 313.489 2.948 20 0 DFADRP [NH3+]C[C@H]1CCCC[C@H]1[NH2+]Cc1ccc(C[NH+]2CCCC2)cc1 ZINC000422781359 296331885 /nfs/dbraw/zinc/33/18/85/296331885.db2.gz IORWJIZXZGXDIE-RTBURBONSA-N 3 0 301.478 2.890 20 0 DFADRP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]CCc1ccn(-c2ccc(F)cc2)n1 ZINC000422782216 296331904 /nfs/dbraw/zinc/33/19/04/296331904.db2.gz FZDQXOUQUKAYDP-KBXCAEBGSA-N 2 0 316.424 2.661 20 0 DFADRP C[C@H]([NH2+]CCCOc1ccc(Cl)cc1Cl)C1C[NH2+]C1 ZINC000422778229 296331455 /nfs/dbraw/zinc/33/14/55/296331455.db2.gz GXCKAZZZRAHYIM-JTQLQIEISA-N 2 0 303.233 2.960 20 0 DFADRP Cc1nccn1CCCC[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1 ZINC000422778411 296331468 /nfs/dbraw/zinc/33/14/68/296331468.db2.gz HKLICRUAPYSASD-OKZBNKHCSA-N 2 0 304.482 2.872 20 0 DFADRP CC[C@H]([NH2+]C[C@H](C)N1CC[NH+](C)CC1)c1cc(C)ccc1C ZINC000623888473 399487804 /nfs/dbraw/zinc/48/78/04/399487804.db2.gz IFTZMCQPJNNGRE-HKUYNNGSSA-N 2 0 303.494 2.980 20 0 DFADRP CC[C@@H](CCc1ccccc1)[NH2+][C@H](C)CN1CC[NH+](C)CC1 ZINC000623889872 399488396 /nfs/dbraw/zinc/48/83/96/399488396.db2.gz YKCLQMXJTMVOIC-MJGOQNOKSA-N 2 0 303.494 2.623 20 0 DFADRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H](C)[C@@H]2CCCCO2)[C@@H](C)C1 ZINC000623894935 399489035 /nfs/dbraw/zinc/48/90/35/399489035.db2.gz FXLVQHJMAWHBPO-MHORFTMASA-N 2 0 312.498 2.671 20 0 DFADRP Clc1cnc(NCC[NH2+][C@@H]2CCC[NH2+]CC2)c(Cl)c1 ZINC000422781855 296332028 /nfs/dbraw/zinc/33/20/28/296332028.db2.gz LFTLGRBGEZMMDP-LLVKDONJSA-N 2 0 303.237 2.532 20 0 DFADRP [NH3+]C[C@H]1CCC[C@@H]1[NH2+]CCNc1ncc(Cl)cc1Cl ZINC000422786350 296332547 /nfs/dbraw/zinc/33/25/47/296332547.db2.gz QFKWYXKRGQIRSW-SKDRFNHKSA-N 2 0 303.237 2.517 20 0 DFADRP CCO[C@@H]1C[C@H]([NH2+][C@H](C)c2ccc(C[NH3+])nc2C)C12CCC2 ZINC000422783255 296332183 /nfs/dbraw/zinc/33/21/83/296332183.db2.gz NXFDXNWKPJHQTK-XOKHGSTOSA-N 2 0 303.450 2.847 20 0 DFADRP C[C@@H](NCc1ccccc1C[NH+]1CCCCC1)[C@H]1CCC[NH2+]1 ZINC000422786759 296332709 /nfs/dbraw/zinc/33/27/09/296332709.db2.gz LJOGSDARTRKAGO-VQIMIIECSA-N 2 0 301.478 2.903 20 0 DFADRP CC[C@@H]([NH2+]CCCn1cnc2ccccc21)[C@H]1CCCC[NH2+]1 ZINC000422793338 296333621 /nfs/dbraw/zinc/33/36/21/296333621.db2.gz XZRQHEYZNMDIES-HZPDHXFCSA-N 2 0 300.450 2.937 20 0 DFADRP CC[C@H]([NH2+]CCCn1cnc2ccccc21)[C@@H]1CCCC[NH2+]1 ZINC000422793337 296333741 /nfs/dbraw/zinc/33/37/41/296333741.db2.gz XZRQHEYZNMDIES-HOTGVXAUSA-N 2 0 300.450 2.937 20 0 DFADRP CCc1ccc([C@H](CNC(=O)CCCCCC[NH3+])[NH+](C)C)cc1 ZINC000269245469 207379114 /nfs/dbraw/zinc/37/91/14/207379114.db2.gz UDSVZPQZJBMFDZ-SFHVURJKSA-N 2 0 319.493 2.877 20 0 DFADRP [NH3+][C@@H]1CCCCC[C@H]1[NH2+]CCc1ccn(-c2ccc(F)cc2)n1 ZINC000422796634 296334495 /nfs/dbraw/zinc/33/44/95/296334495.db2.gz YTNYZBZFWNKBIC-QZTJIDSGSA-N 2 0 316.424 2.804 20 0 DFADRP COc1cccc(O[C@H](C)C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)c1 ZINC000422795475 296334527 /nfs/dbraw/zinc/33/45/27/296334527.db2.gz VRDCSKMZVNRKGH-DQEVTTJGSA-N 2 0 318.461 2.973 20 0 DFADRP Cc1nn(Cc2ccccc2)c(C)c1C[NH2+][C@@H](C)C[C@H](C)[NH3+] ZINC000422795745 296334563 /nfs/dbraw/zinc/33/45/63/296334563.db2.gz WOEFVRMJVVDPSK-KBPBESRZSA-N 2 0 300.450 2.764 20 0 DFADRP CC(C)[C@@H]([NH3+])C(=O)NCc1ccccc1C[N@@H+]1CCC[C@H](C)C1 ZINC000269246656 207383408 /nfs/dbraw/zinc/38/34/08/207383408.db2.gz VBGZLLWFJHBSHL-MAUKXSAKSA-N 2 0 317.477 2.518 20 0 DFADRP CC[C@@H]1Oc2cc([C@@H](C)[NH2+][C@@H](C)CCC[NH3+])ccc2NC1=O ZINC000422801696 296335594 /nfs/dbraw/zinc/33/55/94/296335594.db2.gz ADERHSMXDWTRNC-ZOWXZIJZSA-N 2 0 305.422 2.574 20 0 DFADRP CC(C)[C@@H]([NH3+])C(=O)NCc1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000269251631 207388882 /nfs/dbraw/zinc/38/88/82/207388882.db2.gz ZFFZQPYGPMZDFI-MAUKXSAKSA-N 2 0 317.477 2.518 20 0 DFADRP CC[C@H]1Oc2cc([C@@H](C)[NH2+]C3CCC([NH3+])CC3)ccc2NC1=O ZINC000422802154 296335637 /nfs/dbraw/zinc/33/56/37/296335637.db2.gz BAGWBYKGVLUGSL-JIFUTNICSA-N 2 0 317.433 2.717 20 0 DFADRP COc1ccc([C@H](NCC[NH+]2CCCCC2)[C@H]2CCC[NH2+]2)cc1 ZINC000422809972 296337354 /nfs/dbraw/zinc/33/73/54/296337354.db2.gz MVYFKFQJRKJEOM-MOPGFXCFSA-N 2 0 317.477 2.564 20 0 DFADRP CCOC(=O)C1([C@H](C)[NH2+][C@H]2CCCC[C@@H]2CC)CC[NH2+]CC1 ZINC000422808724 296337052 /nfs/dbraw/zinc/33/70/52/296337052.db2.gz LJGOXGQFSQMSPK-JYJNAYRXSA-N 2 0 310.482 2.866 20 0 DFADRP COC[C@H](CCC[NH3+])[NH2+]Cc1c(OC)ccc2ccccc21 ZINC000422812909 296337640 /nfs/dbraw/zinc/33/76/40/296337640.db2.gz YIOCIDJQOFBMQP-HNNXBMFYSA-N 2 0 302.418 2.692 20 0 DFADRP [NH3+]C[C@H]1CCCC[C@@H]1[NH2+]CCc1nccn1Cc1ccccc1 ZINC000422820210 296339022 /nfs/dbraw/zinc/33/90/22/296339022.db2.gz PLUBDIPFEHGQOV-MSOLQXFVSA-N 2 0 312.461 2.581 20 0 DFADRP COCCCCC[NH2+][C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422819451 296339174 /nfs/dbraw/zinc/33/91/74/296339174.db2.gz IHHHFGYVFFHYND-WMZOPIPTSA-N 2 0 304.434 2.649 20 0 DFADRP C[C@H]1C[N@H+](Cc2ccc(C(=O)Nc3ccccc3)cc2)C[C@H]1C[NH3+] ZINC000631841420 399506909 /nfs/dbraw/zinc/50/69/09/399506909.db2.gz KKGPDCTYYSEGHU-MAUKXSAKSA-N 2 0 323.440 2.966 20 0 DFADRP CC[C@@H]1Oc2cc([C@@H](C)[NH2+][C@@H](C)CCCC[NH3+])ccc2NC1=O ZINC000422816117 296338485 /nfs/dbraw/zinc/33/84/85/296338485.db2.gz ZCBJBSCIZGJXFI-ZENOOKHLSA-N 2 0 319.449 2.964 20 0 DFADRP C[C@H](CCC[NH3+])[NH2+][C@H](c1nccn1C)c1ccc(Cl)cc1 ZINC000422815122 296338487 /nfs/dbraw/zinc/33/84/87/296338487.db2.gz WWONKTXHEOAEDZ-DOMZBBRYSA-N 2 0 306.841 2.880 20 0 DFADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]CCC1CCN(CC(F)(F)F)CC1 ZINC000422817252 296338766 /nfs/dbraw/zinc/33/87/66/296338766.db2.gz HCIFEJWVMBANEQ-HIFRSBDPSA-N 2 0 321.431 2.629 20 0 DFADRP [NH3+]C[C@H]1CCCC[C@H]1[NH2+]Cc1cccnc1OCC(F)(F)F ZINC000422823680 296339791 /nfs/dbraw/zinc/33/97/91/296339791.db2.gz DWCDHTHWCGLBHZ-DGCLKSJQSA-N 2 0 317.355 2.630 20 0 DFADRP CC(C)(C[NH2+][C@H]1CCCC[C@H]1C[NH3+])c1ccc2c(c1)OCCO2 ZINC000422824992 296339987 /nfs/dbraw/zinc/33/99/87/296339987.db2.gz OVDMQYZFLCACPV-HOCLYGCPSA-N 2 0 318.461 2.843 20 0 DFADRP c1c(CC[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)nc2n1CCCC2 ZINC000422830086 296340831 /nfs/dbraw/zinc/34/08/31/296340831.db2.gz HYVOJRSGMIEDDD-FGTMMUONSA-N 2 0 316.493 2.662 20 0 DFADRP CC(C)Oc1ccc(C[NH2+][C@@H]2CCOC[C@@H]2[C@@H]2CCC[NH2+]2)cc1 ZINC000422829584 296340837 /nfs/dbraw/zinc/34/08/37/296340837.db2.gz PXPAMFUHHHFALN-CEXWTWQISA-N 2 0 318.461 2.721 20 0 DFADRP C[C@H]1C[N@H+](Cc2ccccc2)CCCN1C[C@H]1CCC[NH2+]C1 ZINC000347000706 285000756 /nfs/dbraw/zinc/00/07/56/285000756.db2.gz ZUWWIKSEKGRWBL-HKUYNNGSSA-N 2 0 301.478 2.582 20 0 DFADRP CC(C)Oc1ccc(C[NH2+][C@@H]2CCOC[C@H]2[C@@H]2CCC[NH2+]2)cc1 ZINC000422829585 296340878 /nfs/dbraw/zinc/34/08/78/296340878.db2.gz PXPAMFUHHHFALN-GBESFXJTSA-N 2 0 318.461 2.721 20 0 DFADRP C[C@H]([NH2+]CC1CC[NH+](Cc2cccs2)CC1)[C@H]1CCC[NH2+]1 ZINC000422830408 296341111 /nfs/dbraw/zinc/34/11/11/296341111.db2.gz QZIWNGURXMGEAS-WMLDXEAASA-N 3 0 307.507 2.690 20 0 DFADRP c1ccc(NCCC[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)nc1 ZINC000422831322 296341162 /nfs/dbraw/zinc/34/11/62/296341162.db2.gz DRFUFRYHCIYQDG-IXDOHACOSA-N 2 0 302.466 2.784 20 0 DFADRP [NH3+]CC1CCC([NH2+][C@@H]2CCCN(Cc3ccccc3)C2)CC1 ZINC000422839347 296342244 /nfs/dbraw/zinc/34/22/44/296342244.db2.gz ZXWDPZORKNRGAZ-NKELODKYSA-N 2 0 301.478 2.758 20 0 DFADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]C[C@H]1CCCN(Cc2cccs2)C1 ZINC000422839511 296342429 /nfs/dbraw/zinc/34/24/29/296342429.db2.gz QJAOJKOVWSWLHR-NUJGCVRESA-N 2 0 321.534 2.938 20 0 DFADRP CCN(CC)[C@H](C[NH2+]C1CCC([NH3+])CC1)Cc1ccccc1 ZINC000422833326 296341370 /nfs/dbraw/zinc/34/13/70/296341370.db2.gz MLWNMTWBTJFWMC-ACBHZAAOSA-N 2 0 303.494 2.799 20 0 DFADRP CCO[C@H](CC[NH2+][C@@H]1CCOC[C@@H]1[C@@H]1CCC[NH2+]1)C1CCCC1 ZINC000422833486 296341443 /nfs/dbraw/zinc/34/14/43/296341443.db2.gz YUGCBFAMNOVVHZ-FCGDIQPGSA-N 2 0 324.509 2.719 20 0 DFADRP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1[NH2+][C@H]1CCSc2c(F)cccc21 ZINC000422844278 296343513 /nfs/dbraw/zinc/34/35/13/296343513.db2.gz LJQZXAYIHPUREK-LVGORTOPSA-N 2 0 310.438 2.705 20 0 DFADRP C[C@H](C[NH+]1CCCCC1)N[C@@H]1CC[NH2+][C@H](c2ccccc2)C1 ZINC000422838944 296342518 /nfs/dbraw/zinc/34/25/18/296342518.db2.gz YUFYXACGPKQFCR-QRQLOZEOSA-N 2 0 301.478 2.944 20 0 DFADRP [NH3+]C[C@H]1CCCC[C@@H]1[NH2+]CC1(c2ccccc2)CCOCC1 ZINC000422843090 296342971 /nfs/dbraw/zinc/34/29/71/296342971.db2.gz GYWHTQXBAALMAZ-AEFFLSMTSA-N 2 0 302.462 2.842 20 0 DFADRP C[C@H](C[C@H](C)[NH3+])[NH2+]C[C@H](C)Oc1ccccc1Br ZINC000422842878 296343169 /nfs/dbraw/zinc/34/31/69/296343169.db2.gz ZJWMGVZLZHCZPM-TUAOUCFPSA-N 2 0 315.255 2.932 20 0 DFADRP CO[C@@H]1C[C@H]([NH2+][C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)C1(C)C ZINC000422849342 296344642 /nfs/dbraw/zinc/34/46/42/296344642.db2.gz LPKWRZNKFVYHCU-ITQYTPKQSA-N 2 0 316.445 2.645 20 0 DFADRP [NH3+]C[C@@H]1CCC[C@H]1[NH2+]Cc1ccc(NC(=O)c2ccncc2)cc1 ZINC000422845655 296343774 /nfs/dbraw/zinc/34/37/74/296343774.db2.gz OMMXULMVMZLIBE-FUHWJXTLSA-N 2 0 324.428 2.551 20 0 DFADRP COc1ccccc1N1CC[C@@H](C[NH2+][C@@H](C)CCCC[NH3+])C1 ZINC000422847405 296343988 /nfs/dbraw/zinc/34/39/88/296343988.db2.gz IBZKJKJKGJBPBS-HOTGVXAUSA-N 2 0 305.466 2.629 20 0 DFADRP CC(C)COc1ccc(CC[NH2+][C@@H]2CCOC[C@H]2[C@@H](C)[NH3+])cc1 ZINC000422854452 296345243 /nfs/dbraw/zinc/34/52/43/296345243.db2.gz ASQLXOHVJICLPU-AYOQOUSVSA-N 2 0 320.477 2.606 20 0 DFADRP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1[NH2+]C[C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000422856629 296345553 /nfs/dbraw/zinc/34/55/53/296345553.db2.gz XFFBOGOTKYBPEV-HPCHECBXSA-N 2 0 308.388 2.697 20 0 DFADRP CC[C@H]([NH2+]C1CCN(CC(F)(F)F)CC1)[C@@H]1CCCC[NH2+]1 ZINC000422857569 296345765 /nfs/dbraw/zinc/34/57/65/296345765.db2.gz HABGCKDOKUCCNT-KBPBESRZSA-N 2 0 307.404 2.523 20 0 DFADRP COCCCOc1cc(C)ccc1C[NH2+][C@H]1CC[NH2+]CC[C@H]1C ZINC000422850037 296344700 /nfs/dbraw/zinc/34/47/00/296344700.db2.gz CRAHNCMRWAJJFI-AEFFLSMTSA-N 2 0 320.477 2.888 20 0 DFADRP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1[NH2+]Cc1ccc(F)cc1C(F)(F)F ZINC000422852797 296344893 /nfs/dbraw/zinc/34/48/93/296344893.db2.gz BIIVWVOSCQUFRA-WFBYXXMGSA-N 2 0 320.330 2.686 20 0 DFADRP CCCCOc1ccc(C[NH2+][C@@H](C)[C@H]2CC[NH2+]C2)cc1OC ZINC000422858110 296345914 /nfs/dbraw/zinc/34/59/14/296345914.db2.gz ILGJISVYJHYCGM-HOCLYGCPSA-N 2 0 306.450 2.962 20 0 DFADRP C[C@H]1CCCC[N@@H+]1Cc1ccc(C[NH2+]C2CC[NH2+]CC2)cc1 ZINC000422859971 296346111 /nfs/dbraw/zinc/34/61/11/296346111.db2.gz KUNQHHJNMQAMHY-INIZCTEOSA-N 3 0 301.478 2.903 20 0 DFADRP Cc1ccc(C[NH2+][C@@H](C)CCCC[NH3+])c(O[C@H]2CCOC2)c1 ZINC000422872138 296348114 /nfs/dbraw/zinc/34/81/14/296348114.db2.gz FWGMCQRROHEDCN-RDJZCZTQSA-N 2 0 306.450 2.770 20 0 DFADRP C[C@H]([NH3+])[C@@H](Cc1ccccc1)N[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000422865552 296347190 /nfs/dbraw/zinc/34/71/90/296347190.db2.gz YMNFWCDNVMJKJL-VDZJLULYSA-N 2 0 301.478 2.551 20 0 DFADRP CN(CCC[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1)CC(F)(F)F ZINC000422867694 296347510 /nfs/dbraw/zinc/34/75/10/296347510.db2.gz SZACFWNZVFVLAU-RBSFLKMASA-N 2 0 321.431 2.771 20 0 DFADRP C[C@H]1CC[NH2+]CC[C@@H]1[NH2+]Cc1csc(Br)c1 ZINC000422869620 296347663 /nfs/dbraw/zinc/34/76/63/296347663.db2.gz XTQWJQCWAPEQPV-ONGXEEELSA-N 2 0 303.269 2.988 20 0 DFADRP C[C@@H]([NH3+])[C@@H](Cc1ccccc1)NC[C@@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC000422870839 296347708 /nfs/dbraw/zinc/34/77/08/296347708.db2.gz ZHUYIRWASDKCLQ-YWTNHNAXSA-N 2 0 303.494 2.655 20 0 DFADRP COc1ccc(CC[NH2+][C@@H](C)CCC[NH3+])cc1OC(F)F ZINC000422878506 296349081 /nfs/dbraw/zinc/34/90/81/296349081.db2.gz KBCGFIOJMMPFEE-NSHDSACASA-N 2 0 302.365 2.556 20 0 DFADRP C[C@@H]([NH2+]C1CCC([NH3+])CC1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000422874063 296348475 /nfs/dbraw/zinc/34/84/75/296348475.db2.gz CAVDKCKPXMKQFL-LRVUVFPRSA-N 2 0 316.449 2.891 20 0 DFADRP CSc1ccc(C[NH2+][C@@H]2CCOC[C@@H]2[C@H]2CCC[NH2+]2)cc1 ZINC000422874741 296348797 /nfs/dbraw/zinc/34/87/97/296348797.db2.gz AYHGCVRZKXOTIM-BRWVUGGUSA-N 2 0 306.475 2.655 20 0 DFADRP C[C@@H]([NH2+][C@H]1CCC[NH2+]CC1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000422877729 296348916 /nfs/dbraw/zinc/34/89/16/296348916.db2.gz IEAVMFBYYOAKDJ-HIFRSBDPSA-N 2 0 316.449 2.763 20 0 DFADRP Cc1ccc([C@@H](CN[C@H](C)[C@H]2CCCC[NH2+]2)[NH+]2CCCC2)o1 ZINC000422877962 296348990 /nfs/dbraw/zinc/34/89/90/296348990.db2.gz JEWJHBZRGATIRE-BRWVUGGUSA-N 2 0 305.466 2.845 20 0 DFADRP COc1ccc(CC[NH2+][C@@H]2CCC[C@@H]2C[NH3+])cc1OC(F)F ZINC000422884868 296350616 /nfs/dbraw/zinc/35/06/16/296350616.db2.gz XUKKXGWELZQTIF-CHWSQXEVSA-N 2 0 314.376 2.556 20 0 DFADRP Cc1ccc([C@H](C[NH2+]C2CCC(C[NH3+])CC2)N2CCCC2)o1 ZINC000422883961 296350087 /nfs/dbraw/zinc/35/00/87/296350087.db2.gz WBSVFGHVPCNJRM-JCYILVPMSA-N 2 0 305.466 2.832 20 0 DFADRP C[C@H]([NH2+]CC(C)(C)c1ccc(Br)cc1)C1C[NH2+]C1 ZINC000422884673 296350549 /nfs/dbraw/zinc/35/05/49/296350549.db2.gz SOIKKFYWSWEYHW-NSHDSACASA-N 2 0 311.267 2.924 20 0 DFADRP CC[C@@H](C)NC(=O)c1cccc(C[NH2+]C2CCC(C[NH3+])CC2)c1 ZINC000422889517 296351175 /nfs/dbraw/zinc/35/11/75/296351175.db2.gz GIUVUXNMGODLNM-KSTDHSDQSA-N 2 0 317.477 2.822 20 0 DFADRP COC1CCN(C2(C[NH2+][C@@H](C)CCCC[NH3+])CCCC2)CC1 ZINC000422891938 296351497 /nfs/dbraw/zinc/35/14/97/296351497.db2.gz WXXHPBFDOFXVJT-INIZCTEOSA-N 2 0 311.514 2.517 20 0 DFADRP CC[C@@H](C)NC(=O)c1cccc(C[NH2+]C2CCC([NH3+])CC2)c1 ZINC000422891588 296351583 /nfs/dbraw/zinc/35/15/83/296351583.db2.gz KTOVYFOIBPJQHM-NVPAJSRCSA-N 2 0 303.450 2.574 20 0 DFADRP Cc1ccccc1C[NH+]1CCC(N[C@@H]2CCC[C@@H]2C[NH3+])CC1 ZINC000422893712 296351805 /nfs/dbraw/zinc/35/18/05/296351805.db2.gz AOHDKDVDRSAXLV-VQIMIIECSA-N 2 0 301.478 2.676 20 0 DFADRP Fc1ccc(C[NH2+][C@@H]2CCOC[C@@H]2[C@H]2CCC[NH2+]2)cc1Cl ZINC000422885439 296350627 /nfs/dbraw/zinc/35/06/27/296350627.db2.gz YQDLDEVVMWSKEM-DAXOMENPSA-N 2 0 312.816 2.726 20 0 DFADRP Cc1ccccc1C[NH+]1CCC(N[C@H]2C[NH2+]CC[C@@H]2C)CC1 ZINC000422899993 296352691 /nfs/dbraw/zinc/35/26/91/296352691.db2.gz PQQAASGJXGEGLU-LPHOPBHVSA-N 2 0 301.478 2.547 20 0 DFADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]C[C@H]1CCN(c2ccc(F)cc2)C1 ZINC000422900043 296352794 /nfs/dbraw/zinc/35/27/94/296352794.db2.gz PTNOLNUMCFVIHK-IIDMSEBBSA-N 2 0 305.441 2.630 20 0 DFADRP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]Cc1ccnc(N2CCCCC2)c1 ZINC000422900190 296352844 /nfs/dbraw/zinc/35/28/44/296352844.db2.gz QBONPZYGMNYKEW-DLBZAZTESA-N 2 0 302.466 2.679 20 0 DFADRP Cc1ccccc1C[NH+]1CCC(N[C@H]2CCC[C@@H]2C[NH3+])CC1 ZINC000422893698 296351879 /nfs/dbraw/zinc/35/18/79/296351879.db2.gz AOHDKDVDRSAXLV-APWZRJJASA-N 2 0 301.478 2.676 20 0 DFADRP CC[C@H](NCc1ccc(OCC[NH+](C)C)cc1)[C@H]1CCCC[NH2+]1 ZINC000422896409 296352152 /nfs/dbraw/zinc/35/21/52/296352152.db2.gz IDZTUHWSRTVDLO-RBUKOAKNSA-N 2 0 319.493 2.637 20 0 DFADRP C[C@H]([NH2+][C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)C1CCOCC1 ZINC000422895810 296352170 /nfs/dbraw/zinc/35/21/70/296352170.db2.gz WTZNOIXTWXDBMT-UCLAIMLFSA-N 2 0 316.445 2.647 20 0 DFADRP CC[NH+](CC)CCOc1ccc(CN[C@@H](C)[C@H]2CCC[NH2+]2)cc1 ZINC000422896314 296352208 /nfs/dbraw/zinc/35/22/08/296352208.db2.gz XQNAUXNEEWDMQZ-QFBILLFUSA-N 2 0 319.493 2.637 20 0 DFADRP COc1ccc(C2(C[NH2+][C@H](C)CCCC[NH3+])CCOCC2)cc1 ZINC000422896104 296352295 /nfs/dbraw/zinc/35/22/95/296352295.db2.gz HHBJWRBRXGAKLF-MRXNPFEDSA-N 2 0 320.477 2.851 20 0 DFADRP c1cc(C2(C[NH2+]C3CC[NH2+]CC3)CCCCC2)cc2c1OCO2 ZINC000422896858 296352426 /nfs/dbraw/zinc/35/24/26/296352426.db2.gz ITSGZSBDKILIRA-UHFFFAOYSA-N 2 0 316.445 2.959 20 0 DFADRP Fc1ccc(C2(C[NH2+][C@@H]3CCOC[C@H]3[C@H]3CCC[NH2+]3)CC2)cc1 ZINC000422897632 296352513 /nfs/dbraw/zinc/35/25/13/296352513.db2.gz JWVSVJLGUZJGLD-RCCFBDPRSA-N 2 0 318.436 2.604 20 0 DFADRP Cc1ccccc1C1(C[NH2+][C@@H]2CCOC[C@@H]2[C@@H]2CCC[NH2+]2)CC1 ZINC000422898594 296352522 /nfs/dbraw/zinc/35/25/22/296352522.db2.gz FPXGGJDOGXKWIA-NZSAHSFTSA-N 2 0 314.473 2.773 20 0 DFADRP CC[C@H](C)[N@H+](C)CCN[C@H](c1ccc(OC)cc1)[C@H]1CCC[NH2+]1 ZINC000422904231 296353884 /nfs/dbraw/zinc/35/38/84/296353884.db2.gz GKZYDLCNZREVFJ-KFKAGJAMSA-N 2 0 319.493 2.808 20 0 DFADRP CC(C)c1nc(CC[NH2+][C@@H]2CCOC[C@@H]2[C@@H]2CCC[NH2+]2)cs1 ZINC000422907263 296354357 /nfs/dbraw/zinc/35/43/57/296354357.db2.gz WSEBLBNVWKFNLP-OWCLPIDISA-N 2 0 323.506 2.556 20 0 DFADRP CC(C)[N@H+](C)Cc1cccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC000422909402 296354477 /nfs/dbraw/zinc/35/44/77/296354477.db2.gz FUVNAQLDCUDLHZ-DFNIBXOVSA-N 3 0 301.478 2.899 20 0 DFADRP COc1cccc(N2CC[C@H](C[NH2+][C@@H](C)CCCC[NH3+])C2)c1 ZINC000422908351 296354643 /nfs/dbraw/zinc/35/46/43/296354643.db2.gz YHQYMPDPIDCFNK-JKSUJKDBSA-N 2 0 305.466 2.629 20 0 DFADRP C[C@@H]1C[N@@H+](CCCC[NH2+][C@@H]2C[C@H]([NH3+])c3ccccc32)C[C@H](C)O1 ZINC000422913702 296355234 /nfs/dbraw/zinc/35/52/34/296355234.db2.gz QOHFUKABGIIKSM-QGWWYQLQSA-N 3 0 317.477 2.610 20 0 DFADRP Cc1ccc(C(=O)N2CCC([NH2+][C@@H](C)CCCC[NH3+])CC2)cc1 ZINC000422913461 296355296 /nfs/dbraw/zinc/35/52/96/296355296.db2.gz YKSUQSZBDZTRMD-INIZCTEOSA-N 2 0 317.477 2.707 20 0 DFADRP Cc1csc(CCCC[NH2+][C@@H]2CCOC[C@@H]2[C@H]2CCC[NH2+]2)n1 ZINC000422911681 296354917 /nfs/dbraw/zinc/35/49/17/296354917.db2.gz UFBKIJOQYYICHE-BZUAXINKSA-N 2 0 323.506 2.521 20 0 DFADRP C[C@H](Nc1cccc(OCC[NH+](C)C)c1)c1c[nH+]ccc1N ZINC000422912797 296354986 /nfs/dbraw/zinc/35/49/86/296354986.db2.gz OBBHYEVNQZKRMG-ZDUSSCGKSA-N 2 0 300.406 2.608 20 0 DFADRP [NH3+]CC1CCC([NH2+][C@@H]2CCN(c3ccc(Cl)cc3)C2=O)CC1 ZINC000422927033 296356524 /nfs/dbraw/zinc/35/65/24/296356524.db2.gz XZTHOEBAMINWQI-LDZOIKDWSA-N 2 0 321.852 2.552 20 0 DFADRP Cc1sc(CC[NH2+][C@@H](C)C2C[NH2+]C2)nc1-c1ccccc1 ZINC000422930326 296356809 /nfs/dbraw/zinc/35/68/09/296356809.db2.gz SWLRSPUEPCWNLV-LBPRGKRZSA-N 2 0 301.459 2.859 20 0 DFADRP C[C@H]([NH3+])C[C@H](C)[NH2+]CCc1ccc(F)c(Br)c1 ZINC000422931135 296356909 /nfs/dbraw/zinc/35/69/09/296356909.db2.gz AQWIWNGXCQMXRQ-UWVGGRQHSA-N 2 0 303.219 2.846 20 0 DFADRP COC[C@H](CCC[NH3+])[NH2+][C@H](C)c1cccc(OC(F)(F)F)c1 ZINC000422930611 296356936 /nfs/dbraw/zinc/35/69/36/296356936.db2.gz VFYUKLUQBMFNKE-YPMHNXCESA-N 2 0 320.355 2.990 20 0 DFADRP CSC1(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)CCOCC1 ZINC000422923650 296356183 /nfs/dbraw/zinc/35/61/83/296356183.db2.gz SHOUVUMRQWAFHU-OWCLPIDISA-N 2 0 312.523 2.799 20 0 DFADRP COc1ccc(C[C@@H](C)[NH2+]C2CCC(C[NH3+])CC2)cc1OC ZINC000422922706 296356259 /nfs/dbraw/zinc/35/62/59/296356259.db2.gz QPZHAUHZJFKKOV-VQCLRJIVSA-N 2 0 306.450 2.742 20 0 DFADRP [NH3+]CC1CCC([NH2+][C@H]2CCN(c3ccc(Cl)cc3)C2=O)CC1 ZINC000422927034 296356414 /nfs/dbraw/zinc/35/64/14/296356414.db2.gz XZTHOEBAMINWQI-PXCJXSSVSA-N 2 0 321.852 2.552 20 0 DFADRP CC(C)[C@H](C[NH2+][C@H]1CCC[C@H]1C[NH3+])N1CCc2ccccc2C1 ZINC000422937713 296357936 /nfs/dbraw/zinc/35/79/36/296357936.db2.gz KAARPYWRKMIFTO-IHPCNDPISA-N 2 0 315.505 2.786 20 0 DFADRP FC(F)(F)c1ccc(OCC[NH2+][C@H]2CCC[NH2+]CC2)cc1 ZINC000422939702 296358339 /nfs/dbraw/zinc/35/83/39/296358339.db2.gz IEQBRMSVOKAGPR-ZDUSSCGKSA-N 2 0 302.340 2.816 20 0 DFADRP C[C@H]([NH2+]CCc1ccc(F)c(Br)c1)[C@H]1CC[NH2+]C1 ZINC000422935953 296357484 /nfs/dbraw/zinc/35/74/84/296357484.db2.gz LJFGUUQMXJMYLF-JQWIXIFHSA-N 2 0 315.230 2.718 20 0 DFADRP COc1cc([C@@H](C)[NH2+][C@@H](C)C2C[NH2+]C2)ccc1OCC(C)C ZINC000422937314 296357802 /nfs/dbraw/zinc/35/78/02/296357802.db2.gz JLKCOMFJMHLVRP-KGLIPLIRSA-N 2 0 306.450 2.989 20 0 DFADRP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]CCOc1ccc(Br)cc1 ZINC000422944675 296358971 /nfs/dbraw/zinc/35/89/71/296358971.db2.gz LWIVZPTUBITRHC-FZMZJTMJSA-N 2 0 313.239 2.545 20 0 DFADRP [NH3+]C[C@H]1CCC[C@H]1[NH2+]CCOc1ccc(Br)cc1 ZINC000422944674 296358987 /nfs/dbraw/zinc/35/89/87/296358987.db2.gz LWIVZPTUBITRHC-BXUZGUMPSA-N 2 0 313.239 2.545 20 0 DFADRP CCOc1ccc(OCC[N@@H+]2CCC[C@@H]3C[NH2+]CC[C@H]32)cc1 ZINC000631887487 399519794 /nfs/dbraw/zinc/51/97/94/399519794.db2.gz SBOIMDVNQYFADT-CRAIPNDOSA-N 2 0 304.434 2.538 20 0 DFADRP [NH3+]C1CCC([NH2+][C@H](c2ccc3c(c2)OCCO3)C2CC2)CC1 ZINC000422946437 296359439 /nfs/dbraw/zinc/35/94/39/296359439.db2.gz OOBKLSUFGBIJPS-JMLCCBQJSA-N 2 0 302.418 2.768 20 0 DFADRP CC[C@H]([NH2+][C@@H](C)[C@H]1CCC[NH2+]C1)c1ccc2c(c1)OCCO2 ZINC000422949367 296359760 /nfs/dbraw/zinc/35/97/60/296359760.db2.gz TXCBNFPZKQYJQH-BPUTZDHNSA-N 2 0 304.434 2.887 20 0 DFADRP C[C@H]([NH2+]CC1CC[NH+](Cc2ccncc2)CC1)[C@@H]1CCCCO1 ZINC000624012214 399522866 /nfs/dbraw/zinc/52/28/66/399522866.db2.gz UMFYCNXCQVBJAF-LPHOPBHVSA-N 2 0 317.477 2.841 20 0 DFADRP C[C@@H](Nc1cccc(C[NH+]2C[C@@H](C)O[C@H](C)C2)c1)[C@H]1CC[NH2+]C1 ZINC000422956292 296360648 /nfs/dbraw/zinc/36/06/48/296360648.db2.gz PDAMFQHKXJSZNW-KONPQCLYSA-N 2 0 317.477 2.706 20 0 DFADRP Cc1ccc([C@H](CNC(=O)c2ccc3c(c2)C[NH2+]C3)[NH+](C)C)cc1 ZINC000347514067 285067956 /nfs/dbraw/zinc/06/79/56/285067956.db2.gz FFJSHHPSEXAVHM-IBGZPJMESA-N 2 0 323.440 2.631 20 0 DFADRP CC(C)c1ccc(OCC[NH2+][C@@H]2CCOC[C@H]2[C@@H](C)[NH3+])cc1 ZINC000422950686 296360088 /nfs/dbraw/zinc/36/00/88/296360088.db2.gz WNBYDWFUQBQEHU-FHLIZLRMSA-N 2 0 306.450 2.531 20 0 DFADRP C[C@H]1C[NH+](Cc2cccc(NC3CCC([NH3+])CC3)c2)C[C@H](C)O1 ZINC000422953642 296360434 /nfs/dbraw/zinc/36/04/34/296360434.db2.gz GCZYJBCLWBYXQE-QEFXCSQDSA-N 2 0 317.477 2.978 20 0 DFADRP CCN(CC)C(=O)CCC[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1 ZINC000422954376 296360485 /nfs/dbraw/zinc/36/04/85/296360485.db2.gz HLSLRGQHYOICMO-BRWVUGGUSA-N 2 0 309.498 2.535 20 0 DFADRP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1[NH2+]CCOc1ccccc1C(C)(C)C ZINC000422960467 296361269 /nfs/dbraw/zinc/36/12/69/296361269.db2.gz WMQHOCPCIFPBLC-ZOBUZTSGSA-N 2 0 320.477 2.705 20 0 DFADRP CCOC(=O)C1([C@@H](C)[NH2+][C@@H](C)c2ccc(C)o2)CC[NH2+]CC1 ZINC000422961913 296361278 /nfs/dbraw/zinc/36/12/78/296361278.db2.gz DFWFRTXWTPHKMR-UONOGXRCSA-N 2 0 308.422 2.560 20 0 DFADRP c1ccc([C@H]2C[C@H]([NH2+][C@@H]3CCOC[C@@H]3[C@H]3CCC[NH2+]3)C2)cc1 ZINC000422962998 296361610 /nfs/dbraw/zinc/36/16/10/296361610.db2.gz DYMZFOOMRASONM-FVVUREQNSA-N 2 0 300.446 2.679 20 0 DFADRP CC[C@@H](NC1CC[NH+]([C@H](C)c2ccncc2)CC1)[C@@H]1CCC[NH2+]1 ZINC000422965574 296362020 /nfs/dbraw/zinc/36/20/20/296362020.db2.gz LQVJKEASWPMXEH-LZQZEXGQSA-N 2 0 316.493 2.727 20 0 DFADRP c1coc([C@@H](CNC2C[C@H]3CC[C@@H](C2)[NH2+]3)[NH+]2CCCCC2)c1 ZINC000422969228 296362658 /nfs/dbraw/zinc/36/26/58/296362658.db2.gz ZFDZLJXCUSUZRH-FCLJQHQZSA-N 2 0 303.450 2.679 20 0 DFADRP C[C@H](NC[C@H](c1ccco1)[NH+]1CCCCC1)[C@@H]1CCCC[NH2+]1 ZINC000422967924 296362702 /nfs/dbraw/zinc/36/27/02/296362702.db2.gz UZJBNXFMYNYWBK-YESZJQIVSA-N 2 0 305.466 2.927 20 0 DFADRP Cc1nn(-c2ccccc2)cc1CCC[NH2+][C@@H](C)[C@H]1CC[NH2+]C1 ZINC000422967058 296362766 /nfs/dbraw/zinc/36/27/66/296362766.db2.gz SDEHPSBLLSBYJJ-RDJZCZTQSA-N 2 0 312.461 2.701 20 0 DFADRP C[C@H]([NH2+]Cc1ccnc(OC2CCCCC2)c1)[C@H]1CC[NH2+]C1 ZINC000422969674 296362945 /nfs/dbraw/zinc/36/29/45/296362945.db2.gz DDLWKARGSNILFD-HOCLYGCPSA-N 2 0 303.450 2.881 20 0 DFADRP CCOC(=O)C1([C@@H](C)[NH2+][C@@H]2CCCc3occc32)CC[NH2+]CC1 ZINC000422969069 296362524 /nfs/dbraw/zinc/36/25/24/296362524.db2.gz YOGSYLSQOJKSLQ-UKRRQHHQSA-N 2 0 320.433 2.568 20 0 DFADRP COc1ccc(COCC[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)cc1 ZINC000422990807 296364445 /nfs/dbraw/zinc/36/44/45/296364445.db2.gz ODSHWTDTTNFYRI-IPMKNSEASA-N 2 0 318.461 2.722 20 0 DFADRP CCCOc1ccc(C[NH2+][C@H](C)c2ccc(C[NH3+])nc2C)cn1 ZINC000422983162 296363869 /nfs/dbraw/zinc/36/38/69/296363869.db2.gz YSCLZJZMEKRCOF-CYBMUJFWSA-N 2 0 314.433 2.883 20 0 DFADRP C[C@@H](CCCC[NH3+])[NH2+]CCOc1ccc(C(F)(F)F)cn1 ZINC000422990245 296364658 /nfs/dbraw/zinc/36/46/58/296364658.db2.gz MZBKKPSOSNDSQH-NSHDSACASA-N 2 0 305.344 2.586 20 0 DFADRP CC(C)C[N@@H+]1CCC[C@H](CN[C@@H](Cc2ccccc2)[C@H](C)[NH3+])C1 ZINC000422994521 296364845 /nfs/dbraw/zinc/36/48/45/296364845.db2.gz HZKNMCKXZNRHLT-SXLOBPIMSA-N 2 0 317.521 2.903 20 0 DFADRP c1ccc(CCC[NH2+][C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)nc1 ZINC000422992237 296364999 /nfs/dbraw/zinc/36/49/99/296364999.db2.gz CIQKIHKDSZQPJI-QUCCMNQESA-N 2 0 323.440 2.860 20 0 DFADRP OC[C@H](C[NH2+][C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1)c1ccccc1 ZINC000423001196 296365996 /nfs/dbraw/zinc/36/59/96/296365996.db2.gz DESLLJOUOVVVQO-INDMIFKZSA-N 2 0 302.462 2.663 20 0 DFADRP C[C@H]1C[C@@H](CC[NH2+]C2CC[NH2+]CC2)C[N@@H+]1Cc1ccccc1 ZINC000422997476 296365367 /nfs/dbraw/zinc/36/53/67/296365367.db2.gz BJKNLJGIQWORTJ-FUHWJXTLSA-N 3 0 301.478 2.629 20 0 DFADRP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+]CCc1cnc(C2CC2)nc1 ZINC000423009536 296367037 /nfs/dbraw/zinc/36/70/37/296367037.db2.gz DFANCWDSKYQACM-RHSMWYFYSA-N 2 0 302.466 2.797 20 0 DFADRP C[N@H+](Cc1ccco1)Cc1ccccc1CN[C@H]1CCC[C@H]1[NH3+] ZINC000423009388 296367198 /nfs/dbraw/zinc/36/71/98/296367198.db2.gz VLIDSSYPPVABKL-MOPGFXCFSA-N 2 0 313.445 2.881 20 0 DFADRP C[C@@H]1C[C@H](CC[NH2+][C@H]2CNCC[C@H]2C)C[N@@H+]1Cc1ccccc1 ZINC000423006555 296366508 /nfs/dbraw/zinc/36/65/08/296366508.db2.gz VTDGRWSYWSYCQU-JYBIWHBTSA-N 2 0 315.505 2.875 20 0 DFADRP CCC[C@H](CCO)C[NH2+][C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423006365 296366789 /nfs/dbraw/zinc/36/67/89/296366789.db2.gz OJCLZQHZMYXDDE-SZVBFZGTSA-N 2 0 318.461 2.631 20 0 DFADRP c1nc(C2CC2)ncc1CC[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1 ZINC000423008462 296366963 /nfs/dbraw/zinc/36/69/63/296366963.db2.gz AJIVELHKDFROLH-KZNAEPCWSA-N 2 0 314.477 2.797 20 0 DFADRP c1ccc2c(c1)CC(CC[NH2+][C@@H]1CCOC[C@@H]1[C@H]1CCC[NH2+]1)C2 ZINC000423013847 296367647 /nfs/dbraw/zinc/36/76/47/296367647.db2.gz NMQXUMXNVUPLMZ-VAMGGRTRSA-N 2 0 314.473 2.538 20 0 DFADRP C[C@H]([NH2+][C@@H]1CCN(C)[C@@H]1c1ccc(Cl)cc1)[C@H]1CC[NH2+]C1 ZINC000423014855 296367706 /nfs/dbraw/zinc/36/77/06/296367706.db2.gz PWMFIPRCHXUMLG-GUDXXQAFSA-N 2 0 307.869 2.673 20 0 DFADRP C[C@H](C[NH2+][C@H]1CCCC[C@@H]1C[NH3+])c1nc(-c2ccccc2)no1 ZINC000423014035 296367878 /nfs/dbraw/zinc/36/78/78/296367878.db2.gz NXDUQVMZOBXECP-BMFZPTHFSA-N 2 0 314.433 2.947 20 0 DFADRP C[C@H]([NH2+][C@@H]1CCN(C)[C@H]1c1ccc(Cl)cc1)[C@@H]1CC[NH2+]C1 ZINC000423014856 296367608 /nfs/dbraw/zinc/36/76/08/296367608.db2.gz PWMFIPRCHXUMLG-JFOHDYCDSA-N 2 0 307.869 2.673 20 0 DFADRP CC1(C[NH2+][C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)CCOCC1 ZINC000423024360 296369098 /nfs/dbraw/zinc/36/90/98/296369098.db2.gz LPAPTFXXJMMMEB-APWZRJJASA-N 2 0 316.445 2.649 20 0 DFADRP CN1CC[C@@H]([NH2+]C2CC[NH2+]CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000423018349 296368407 /nfs/dbraw/zinc/36/84/07/296368407.db2.gz YQLMLWBUWIMYGN-CVEARBPZSA-N 2 0 311.832 2.566 20 0 DFADRP COc1ccc(OC)c(CCC[NH2+][C@H]2CCCC[C@@H]2C[NH3+])c1 ZINC000423018797 296368531 /nfs/dbraw/zinc/36/85/31/296368531.db2.gz ZTRJGFJGNWQLND-WBVHZDCISA-N 2 0 306.450 2.744 20 0 DFADRP C[C@H](CCCC[NH3+])[NH2+][C@H]1CCN(C)[C@@H]1c1ccc(F)c(F)c1 ZINC000423023124 296368837 /nfs/dbraw/zinc/36/88/37/296368837.db2.gz JANDKHQEHQELAF-OAUYIBNBSA-N 2 0 311.420 2.817 20 0 DFADRP CC(C)[NH+]1CCN(c2cccc(N[C@H]3CCC[NH2+]CC3)c2)CC1 ZINC000423035846 296370364 /nfs/dbraw/zinc/37/03/64/296370364.db2.gz ZOCVDKVVKDJOBL-KRWDZBQOSA-N 2 0 316.493 2.771 20 0 DFADRP C[C@H]([NH3+])[C@H]1COCC[C@@H]1[NH2+]CC1(c2ccccc2Cl)CC1 ZINC000423028911 296369596 /nfs/dbraw/zinc/36/95/96/296369596.db2.gz TYQHOLTTZIDOOU-ZENOOKHLSA-N 2 0 308.853 2.714 20 0 DFADRP Clc1ccc(N2CC[C@@H]([NH2+]C3C[C@H]4CC[C@@H](C3)[NH2+]4)C2)cc1 ZINC000423030579 296369951 /nfs/dbraw/zinc/36/99/51/296369951.db2.gz TXKVTGUHMWYKLC-IUOOZAAYSA-N 2 0 305.853 2.791 20 0 DFADRP COC[C@@H](CC1CCOCC1)[NH2+]C[C@@H]1CCN1C1CCCCC1 ZINC000624077927 399545535 /nfs/dbraw/zinc/54/55/35/399545535.db2.gz HWPYHBMLCXOXCU-MJGOQNOKSA-N 2 0 324.509 2.815 20 0 DFADRP COC[C@@H](CCC[NH3+])[NH2+][C@H]1CCc2[nH]c3ccc(C)cc3c2C1 ZINC000423039653 296370513 /nfs/dbraw/zinc/37/05/13/296370513.db2.gz FVMJYTUSEZLHJX-LSDHHAIUSA-N 2 0 315.461 2.677 20 0 DFADRP O[C@H](CCc1ccccc1)C[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1 ZINC000423038245 296370563 /nfs/dbraw/zinc/37/05/63/296370563.db2.gz YAJHOVZZUSSMSP-FUMNGEBKSA-N 2 0 316.489 2.881 20 0 DFADRP C[C@H]([NH2+][C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1)C1C[NH2+]C1 ZINC000423042839 296371236 /nfs/dbraw/zinc/37/12/36/296371236.db2.gz MHCLUJCZIFIBED-JQWIXIFHSA-N 2 0 314.260 2.770 20 0 DFADRP FC(F)c1ccc(C[NH2+][C@@H]2CCOC[C@@H]2[C@H]2CCC[NH2+]2)cc1 ZINC000423045331 296371305 /nfs/dbraw/zinc/37/13/05/296371305.db2.gz CSPXSLPDWGUAJN-BZUAXINKSA-N 2 0 310.388 2.871 20 0 DFADRP C[N@H+](Cc1ccccc1)[C@H](CN[C@@H]1CCC[C@H]1C[NH3+])C1CC1 ZINC000423048825 296371987 /nfs/dbraw/zinc/37/19/87/296371987.db2.gz AEWJQHNVHJTUHH-IPMKNSEASA-N 2 0 301.478 2.614 20 0 DFADRP COC[C@H](CCC[NH3+])[NH2+][C@@H]1C[C@H](OCc2ccccc2)C1(C)C ZINC000423055078 296372684 /nfs/dbraw/zinc/37/26/84/296372684.db2.gz VRJNASKECNQJDX-KSZLIROESA-N 2 0 320.477 2.714 20 0 DFADRP Cn1c(C[NH2+][C@@H]2CCCC[C@@H]2C[NH3+])nc2cccc(Cl)c21 ZINC000423056411 296372912 /nfs/dbraw/zinc/37/29/12/296372912.db2.gz XMXZNZOFLJSPHN-DGCLKSJQSA-N 2 0 306.841 2.834 20 0 DFADRP Cc1cccc(C[C@H](CO)[NH2+][C@@H](C)C[C@@H]2CCCCC[NH2+]2)c1 ZINC000423057607 296373264 /nfs/dbraw/zinc/37/32/64/296373264.db2.gz HMNSTKHHPNTMOW-YTQUADARSA-N 2 0 304.478 2.799 20 0 DFADRP Cc1cccc(C[C@H](CO)[NH2+][C@H](C)C[C@H]2CCCCC[NH2+]2)c1 ZINC000423057604 296373279 /nfs/dbraw/zinc/37/32/79/296373279.db2.gz HMNSTKHHPNTMOW-BHIYHBOVSA-N 2 0 304.478 2.799 20 0 DFADRP Cc1ccc(C[C@H](CO)[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)cc1 ZINC000423058917 296373323 /nfs/dbraw/zinc/37/33/23/296373323.db2.gz KSDJEXGKJNLULO-UAFMIMERSA-N 2 0 316.489 2.799 20 0 DFADRP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1[NH2+][C@H]1CC[C@H](Cc2ccccc2)C1 ZINC000423061128 296373484 /nfs/dbraw/zinc/37/34/84/296373484.db2.gz QFMXPGYROXZLHY-HXFGRODQSA-N 2 0 302.462 2.740 20 0 DFADRP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+]C[C@@]1(O)CCC[C@H](C(F)(F)F)C1 ZINC000423062052 296373608 /nfs/dbraw/zinc/37/36/08/296373608.db2.gz SEEMRGZFIMIAOU-RFQIPJPRSA-N 2 0 308.388 2.720 20 0 DFADRP CO[C@H](CC[NH2+][C@H](Cc1ccccc1)[C@@H](C)[NH3+])C(F)(F)F ZINC000423067101 296374607 /nfs/dbraw/zinc/37/46/07/296374607.db2.gz GIAFYROSOGJWNX-MRVWCRGKSA-N 2 0 304.356 2.502 20 0 DFADRP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1[NH2+]C[C@H](c1ccccc1)C(F)(F)F ZINC000423066595 296374260 /nfs/dbraw/zinc/37/42/60/296374260.db2.gz XJIGQQVCDZUHEY-MHEUCROKSA-N 2 0 316.367 2.674 20 0 DFADRP COc1cc(Br)ccc1C[NH2+][C@H](C)C[C@H](C)[NH3+] ZINC000423065240 296374079 /nfs/dbraw/zinc/37/40/79/296374079.db2.gz SYIJLKCDNIYLMH-VHSXEESVSA-N 2 0 301.228 2.673 20 0 DFADRP [NH3+]C1CCC([NH2+]C[C@@]2(Cc3ccc(F)cc3)CCC[C@@H]2O)CC1 ZINC000423071946 296374966 /nfs/dbraw/zinc/37/49/66/296374966.db2.gz GNRVFIZYRJOGLD-BTRQGYIVSA-N 2 0 320.452 2.759 20 0 DFADRP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+]C[C@@]1(CO)C[C@H]1c1ccc(F)cc1 ZINC000423075765 296375725 /nfs/dbraw/zinc/37/57/25/296375725.db2.gz PFBBODHYLRDBQP-XWTMOSNGSA-N 2 0 306.425 2.541 20 0 DFADRP COC[C@H](CCC[NH3+])[NH2+][C@H](C)c1nc(C(F)(F)F)cs1 ZINC000423080978 296375921 /nfs/dbraw/zinc/37/59/21/296375921.db2.gz CBYGWRRTKMNJAB-BDAKNGLRSA-N 2 0 311.373 2.566 20 0 DFADRP Cc1cccc(CC[NH2+][C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)n1 ZINC000423087015 296376836 /nfs/dbraw/zinc/37/68/36/296376836.db2.gz OPJOTUMFVYVVPS-AZUAARDMSA-N 2 0 323.440 2.778 20 0 DFADRP COc1ccc([C@H](C)[C@@H](C)[NH2+]CCCC[NH+]2CCOCC2)cc1 ZINC000158802579 197302456 /nfs/dbraw/zinc/30/24/56/197302456.db2.gz HWAUFIKQZBFNFV-IAGOWNOFSA-N 2 0 320.477 2.889 20 0 DFADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]C[C@@H]1CCCN(c2ccccc2)C1 ZINC000423089354 296377186 /nfs/dbraw/zinc/37/71/86/296377186.db2.gz UXPSUVLCWKJFQI-AOIWGVFYSA-N 2 0 301.478 2.881 20 0 DFADRP C[C@@H]([NH3+])C[C@H](C)[NH2+]CCc1cccc(OCC(F)(F)F)c1 ZINC000423092102 296377377 /nfs/dbraw/zinc/37/73/77/296377377.db2.gz AOMROMNAWGZKJS-NEPJUHHUSA-N 2 0 304.356 2.886 20 0 DFADRP C[C@H](C[C@H](C)[NH3+])[NH2+]CCc1cccc(OCC(F)(F)F)c1 ZINC000423092103 296377423 /nfs/dbraw/zinc/37/74/23/296377423.db2.gz AOMROMNAWGZKJS-NWDGAFQWSA-N 2 0 304.356 2.886 20 0 DFADRP CC[C@H]([NH2+][C@H]1CC[C@@H](C(=O)N2CCCCC2)C1)[C@@H]1CCCC[NH2+]1 ZINC000423092612 296377439 /nfs/dbraw/zinc/37/74/39/296377439.db2.gz CQWALDHRQRRNIK-OWSLCNJRSA-N 2 0 321.509 2.678 20 0 DFADRP CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)C1 ZINC000423094688 296377671 /nfs/dbraw/zinc/37/76/71/296377671.db2.gz KLUWVALDSRBXBS-DRRXZNNHSA-N 2 0 308.466 2.619 20 0 DFADRP C[C@@H]([NH2+]CCc1cccc(OCC(F)(F)F)c1)[C@@H]1CC[NH2+]C1 ZINC000423099895 296378184 /nfs/dbraw/zinc/37/81/84/296378184.db2.gz UOHPCSLJFUFJNX-TZMCWYRMSA-N 2 0 316.367 2.758 20 0 DFADRP C[C@H]1CN(C)C[C@@H]1[NH2+]Cc1ccccc1C[NH+]1CCC(C)CC1 ZINC000347683481 285128897 /nfs/dbraw/zinc/12/88/97/285128897.db2.gz JEZYUQFGCCHCMD-PXNSSMCTSA-N 2 0 315.505 2.958 20 0 DFADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]CCc1ccc2c[nH]nc2c1 ZINC000423103905 296378663 /nfs/dbraw/zinc/37/86/63/296378663.db2.gz LRGCAPBTNIHPNB-GFCCVEGCSA-N 2 0 309.417 2.618 20 0 DFADRP C[C@H](CC(=O)Nc1ccc(F)cc1)[NH2+]C[C@@H]1CCCC[N@H+](C)C1 ZINC000624120048 399558996 /nfs/dbraw/zinc/55/89/96/399558996.db2.gz QKTPLWNSEULUJI-CABCVRRESA-N 2 0 321.440 2.864 20 0 DFADRP COCCCOc1ccc(C[NH2+][C@@H]2CC[NH2+]CC[C@H]2C)cc1 ZINC000423107061 296379104 /nfs/dbraw/zinc/37/91/04/296379104.db2.gz PFDHNNJHKQNEKW-CRAIPNDOSA-N 2 0 306.450 2.580 20 0 DFADRP C[C@@H]1COCC[C@@H]1C[NH2+][C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423109044 296379157 /nfs/dbraw/zinc/37/91/57/296379157.db2.gz NDIJWANNKBRDAJ-IIHSZXCVSA-N 2 0 316.445 2.505 20 0 DFADRP c1csc(N2CCC([NH2+][C@@H]3CCC[C@H]3[C@@H]3CCC[NH2+]3)CC2)n1 ZINC000423108112 296379332 /nfs/dbraw/zinc/37/93/32/296379332.db2.gz SSYLZFCIMWLYMF-HRCADAONSA-N 2 0 320.506 2.622 20 0 DFADRP CC(C)c1ccc(O[C@H](C)C[NH2+][C@@H]2CCOC[C@H]2[C@@H](C)[NH3+])cc1 ZINC000423102261 296378783 /nfs/dbraw/zinc/37/87/83/296378783.db2.gz DSRZYEILKMSELQ-VVWQDTPRSA-N 2 0 320.477 2.919 20 0 DFADRP C[N@@H+]1CCCC[C@@H](CN[C@@H](c2ccccc2)c2cncnc2)C1 ZINC000624122703 399560439 /nfs/dbraw/zinc/56/04/39/399560439.db2.gz ZAZRCPKRHKSNJQ-LPHOPBHVSA-N 2 0 310.445 2.888 20 0 DFADRP C[C@@H](CCCC[NH3+])[NH2+]Cc1ccc(OC2CC[NH+](C)CC2)cc1 ZINC000423111791 296379725 /nfs/dbraw/zinc/37/97/25/296379725.db2.gz WQTOTVJTIJMNAI-INIZCTEOSA-N 3 0 319.493 2.767 20 0 DFADRP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]Cc1ccncc1OCc1ccccc1 ZINC000423114024 296379948 /nfs/dbraw/zinc/37/99/48/296379948.db2.gz ZTGUIKIXIRUKHQ-WMZOPIPTSA-N 2 0 311.429 2.878 20 0 DFADRP C[C@@H]([NH2+]C[C@H]1CCCC[N@H+](C)C1)c1ccc2[nH]c(=O)oc2c1 ZINC000624124151 399561955 /nfs/dbraw/zinc/56/19/55/399561955.db2.gz YPOHPLVPXZGGKJ-CHWSQXEVSA-N 2 0 303.406 2.916 20 0 DFADRP COCc1nc(CN[C@H]2CC[NH2+][C@@H](c3ccccc3)C2)cs1 ZINC000423120430 296380863 /nfs/dbraw/zinc/38/08/63/296380863.db2.gz GMWOXHRCWIWNIJ-GOEBONIOSA-N 2 0 317.458 2.872 20 0 DFADRP [NH3+][C@@H]1CCC[C@H]1NC[C@@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000423131595 296382177 /nfs/dbraw/zinc/38/21/77/296382177.db2.gz AUDLIACIHAOFAV-IPMKNSEASA-N 2 0 301.478 2.758 20 0 DFADRP C[C@H]([NH3+])[C@@H]1COCC[C@H]1[NH2+]CCc1cc2ccccc2s1 ZINC000423129883 296382200 /nfs/dbraw/zinc/38/22/00/296382200.db2.gz FXZULMGIYZNRSH-VBNZEHGJSA-N 2 0 304.459 2.786 20 0 DFADRP C[C@H](c1ccccc1F)N1CCC[C@@H]([NH2+][C@@H](C)C[C@H](C)[NH3+])C1=O ZINC000423130982 296382327 /nfs/dbraw/zinc/38/23/27/296382327.db2.gz HIUYSUVJTUNVFH-SZOQZIPDSA-N 2 0 321.440 2.593 20 0 DFADRP [NH3+]C1CCC([NH2+][C@@H]2c3ccccc3CC23CCOCC3)CC1 ZINC000423130065 296382359 /nfs/dbraw/zinc/38/23/59/296382359.db2.gz YADAVEIOFRWYRP-LEOMRAHMSA-N 2 0 300.446 2.940 20 0 DFADRP Brc1ccccc1CC1([NH2+]C2CC[NH2+]CC2)CC1 ZINC000423128916 296381954 /nfs/dbraw/zinc/38/19/54/296381954.db2.gz LGTRSOZPESIZAX-UHFFFAOYSA-N 2 0 309.251 2.866 20 0 DFADRP c1ccc2c(c1)O[C@]1(CC[NH2+]C1)C[C@H]2[NH2+]C[C@@H]1CCCSC1 ZINC000423135970 296382873 /nfs/dbraw/zinc/38/28/73/296382873.db2.gz YLSIHAJRXBVCQN-YXJHDRRASA-N 2 0 318.486 2.975 20 0 DFADRP c1ccc([C@@H]2C[C@H]2C[NH2+][C@@H]2CCOC[C@H]2[C@H]2CCC[NH2+]2)cc1 ZINC000423136957 296383159 /nfs/dbraw/zinc/38/31/59/296383159.db2.gz QESGSDPEBKQQPJ-LTFXXXRZSA-N 2 0 300.446 2.537 20 0 DFADRP Cn1nc2c(c1C[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1)CCCC2 ZINC000423135673 296383183 /nfs/dbraw/zinc/38/31/83/296383183.db2.gz GBYKOERPDIYPSL-BHYGNILZSA-N 2 0 316.493 2.699 20 0 DFADRP C[C@H]1CC[NH2+]CC[C@H]1[NH2+]Cc1ccc(OC(F)F)c(F)c1 ZINC000423133008 296382513 /nfs/dbraw/zinc/38/25/13/296382513.db2.gz JVOTXRXRXNXBSA-GXFFZTMASA-N 2 0 302.340 2.905 20 0 DFADRP C[C@@H]([NH2+]C1CCC([NH3+])CC1)c1ccc(-n2cccn2)c(F)c1 ZINC000423140741 296383761 /nfs/dbraw/zinc/38/37/61/296383761.db2.gz ZKEYWNZAMLGGQY-LRVUVFPRSA-N 2 0 302.397 2.932 20 0 DFADRP C[C@H]([NH2+][C@@H](C)[C@H]1CC[NH2+]C1)c1ccc(-n2cccn2)c(F)c1 ZINC000423140525 296383868 /nfs/dbraw/zinc/38/38/68/296383868.db2.gz YVLQQTOLNQRHKS-YDHLFZDLSA-N 2 0 302.397 2.660 20 0 DFADRP Clc1cccc(-n2ccnc2)c1CN[C@H]1CCC[NH2+]CC1 ZINC000423144534 296384171 /nfs/dbraw/zinc/38/41/71/296384171.db2.gz HJKLZNKIRHUAKN-ZDUSSCGKSA-N 3 0 304.825 2.757 20 0 DFADRP CCN1C[C@@H](C)[C@H]([NH2+]Cc2cccc(C[NH+]3CCCC3)c2)C1 ZINC000347728302 285148066 /nfs/dbraw/zinc/14/80/66/285148066.db2.gz VFOYZVCZKOPSKL-VQIMIIECSA-N 2 0 301.478 2.712 20 0 DFADRP C[C@@H]([NH2+][C@@H]1CCC[NH2+]CC1)c1ccc(-n2cccn2)c(F)c1 ZINC000423138128 296383498 /nfs/dbraw/zinc/38/34/98/296383498.db2.gz SEXCLECARWKOEK-UKRRQHHQSA-N 2 0 302.397 2.804 20 0 DFADRP C[C@@H]([NH2+]CCN1CC[NH+](Cc2ccccc2)CC1)c1ccccn1 ZINC000158496462 197278846 /nfs/dbraw/zinc/27/88/46/197278846.db2.gz LSQPOKGWDHXCNI-GOSISDBHSA-N 2 0 324.472 2.550 20 0 DFADRP CC[C@@H]([NH2+]C[C@H]1CCN(c2ccccc2F)C1)[C@@H]1CCC[NH2+]1 ZINC000423141065 296383684 /nfs/dbraw/zinc/38/36/84/296383684.db2.gz NTISMDVIEUJSFX-OIISXLGYSA-N 2 0 305.441 2.772 20 0 DFADRP C[C@H]([NH2+]C1CCC([NH3+])CC1)c1ccc(-n2cccn2)c(F)c1 ZINC000423140740 296383701 /nfs/dbraw/zinc/38/37/01/296383701.db2.gz ZKEYWNZAMLGGQY-GRTSSRMGSA-N 2 0 302.397 2.932 20 0 DFADRP COCC[C@@H]1CCC[C@H]1[NH2+]Cc1ccc(OCC[NH+](C)C)cc1 ZINC000281955070 285150771 /nfs/dbraw/zinc/15/07/71/285150771.db2.gz ARRZGETVVPWOBK-PKOBYXMFSA-N 2 0 320.477 2.922 20 0 DFADRP CCC(=O)CCC[NH+]1CCC(CC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000347734770 285151305 /nfs/dbraw/zinc/15/13/05/285151305.db2.gz HFSZTFZEHSPCSH-IAGOWNOFSA-N 2 0 324.509 2.957 20 0 DFADRP CCCOc1c(OC)cc(CC[NH2+][C@H]2CCC[C@@H]2[NH3+])cc1OC ZINC000423146359 296384765 /nfs/dbraw/zinc/38/47/65/296384765.db2.gz AIJCWHHBPVJOBE-GJZGRUSLSA-N 2 0 322.449 2.505 20 0 DFADRP CCC(=O)CCC[NH+]1CCC(CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000347734769 285151547 /nfs/dbraw/zinc/15/15/47/285151547.db2.gz HFSZTFZEHSPCSH-CALCHBBNSA-N 2 0 324.509 2.957 20 0 DFADRP c1ccc2c(c1)SC[C@@H]2C[NH2+][C@@H]1CCOC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000423147132 296385112 /nfs/dbraw/zinc/38/51/12/296385112.db2.gz RCLBCNPGGMIPEP-QSPRXWTASA-N 2 0 318.486 2.623 20 0 DFADRP CCC[C@H](C[NH2+][C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)OC ZINC000423148323 296385195 /nfs/dbraw/zinc/38/51/95/296385195.db2.gz VAIIKPIKPFHTJM-QGPMSJSTSA-N 2 0 304.434 2.647 20 0 DFADRP CCC[C@H](C[NH2+][C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)OC ZINC000423148321 296385221 /nfs/dbraw/zinc/38/52/21/296385221.db2.gz VAIIKPIKPFHTJM-HFTRVMKXSA-N 2 0 304.434 2.647 20 0 DFADRP CO[C@@H]([C@H](C)[NH2+][C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)C1CC1 ZINC000423149426 296385378 /nfs/dbraw/zinc/38/53/78/296385378.db2.gz AOOFFUDFJRMNBK-ZAUBIYILSA-N 2 0 316.445 2.645 20 0 DFADRP CC[C@H]([NH2+][C@@H]1CCO[C@@H](c2cccnc2)C1)[C@@H]1CCCC[NH2+]1 ZINC000423151991 296385606 /nfs/dbraw/zinc/38/56/06/296385606.db2.gz LDGSOJLLGOGAEI-VSZNYVQBSA-N 2 0 303.450 2.812 20 0 DFADRP c1ccc([C@@H]2C[C@H]([N@@H+]3CCC[C@]4(CCOC4)C3)CCN2)cc1 ZINC000423154830 296385909 /nfs/dbraw/zinc/38/59/09/296385909.db2.gz KBGAGFSDRBKLTE-QYZOEREBSA-N 2 0 300.446 2.982 20 0 DFADRP CC(C)(O)C(C)(C)C[NH2+][C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423162467 296386954 /nfs/dbraw/zinc/38/69/54/296386954.db2.gz PIWPIVNCEWIGOT-DNVCBOLYSA-N 2 0 318.461 2.629 20 0 DFADRP OCC[C@H]([NH2+][C@@H]1CCC[NH2+]CC1)c1cccc(C(F)(F)F)c1 ZINC000423166453 296387202 /nfs/dbraw/zinc/38/72/02/296387202.db2.gz ZGVSPPJLLVBOHU-CABCVRRESA-N 2 0 316.367 2.861 20 0 DFADRP CCOC(=O)C1([C@@H](C)[NH2+]C2(C3CCC3)CCC2)CC[NH2+]CC1 ZINC000423168391 296387285 /nfs/dbraw/zinc/38/72/85/296387285.db2.gz HDEKHCSGANFTRT-CQSZACIVSA-N 2 0 308.466 2.620 20 0 DFADRP COc1cc(OC)c(C[C@H](C)[NH2+]C2CCC([NH3+])CC2)c(OC)c1 ZINC000423159356 296386578 /nfs/dbraw/zinc/38/65/78/296386578.db2.gz OXHCDVILRNGMQJ-HSBZDZAISA-N 2 0 322.449 2.503 20 0 DFADRP CC(C)O[C@H]1C[C@@H]([NH2+][C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)C1 ZINC000423165430 296387435 /nfs/dbraw/zinc/38/74/35/296387435.db2.gz PZUNVBXIZKVWFU-JHDROBOHSA-N 2 0 316.445 2.788 20 0 DFADRP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1[NH2+]C[C@@H]1[C@@H](c2ccccc2)C1(C)C ZINC000423172356 296387865 /nfs/dbraw/zinc/38/78/65/296387865.db2.gz SLOKGHGKPPHIHF-XEIOYGOASA-N 2 0 302.462 2.768 20 0 DFADRP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1[NH2+][C@@H]1C[C@H]1c1c(F)cccc1Cl ZINC000423172197 296387885 /nfs/dbraw/zinc/38/78/85/296387885.db2.gz RTBQNWNDIRUAED-NCSKVMEWSA-N 2 0 312.816 2.677 20 0 DFADRP C[N@@H+]1CCC[C@H](CC[NH2+][C@@H]2CCN[C@H](c3ccccc3)C2)C1 ZINC000423172995 296387916 /nfs/dbraw/zinc/38/79/16/296387916.db2.gz WJPRCESGBPCOSD-QRQLOZEOSA-N 2 0 301.478 2.801 20 0 DFADRP CCOC(=O)C1([C@H](C)[NH2+]C[C@H]2CCC[C@H]2C2CC2)CC[NH2+]CC1 ZINC000423173322 296388145 /nfs/dbraw/zinc/38/81/45/296388145.db2.gz XXWUPUBJWCOFHF-UAGQMJEPSA-N 2 0 322.493 2.724 20 0 DFADRP OC[C@H](C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1)c1ccc(F)cc1 ZINC000423174027 296388258 /nfs/dbraw/zinc/38/82/58/296388258.db2.gz AZWKKBHKXSRZKD-WZGPROSRSA-N 2 0 320.452 2.802 20 0 DFADRP C[C@H](Cc1ccc(F)cc1Br)[NH2+]C1CC[NH2+]CC1 ZINC000423175397 296388281 /nfs/dbraw/zinc/38/82/81/296388281.db2.gz AETDVJXBMHJGQY-SNVBAGLBSA-N 2 0 315.230 2.861 20 0 DFADRP Clc1ccccc1C[C@@H]([NH2+]CCCN1CC[NH2+]CC1)C1CC1 ZINC000423177057 296388618 /nfs/dbraw/zinc/38/86/18/296388618.db2.gz DPLHUFHYLDLACN-GOSISDBHSA-N 2 0 321.896 2.546 20 0 DFADRP C[C@@H]([NH2+]CCCN1CC[NH2+]CC1)c1ccccc1C(F)(F)F ZINC000423176335 296388680 /nfs/dbraw/zinc/38/86/80/296388680.db2.gz GUZBNVZNJFRTOB-CYBMUJFWSA-N 2 0 315.383 2.651 20 0 DFADRP C[NH+](C)CCOC1CC[NH+](Cc2ccc3occc3c2)CC1 ZINC000347771225 285166672 /nfs/dbraw/zinc/16/66/72/285166672.db2.gz INOJZGHDTDUMJR-UHFFFAOYSA-N 2 0 302.418 2.975 20 0 DFADRP C[C@H]([NH2+]CCCN1CC[NH2+]CC1)c1cccc(-c2ccncc2)c1 ZINC000423185018 296389625 /nfs/dbraw/zinc/38/96/25/296389625.db2.gz UMOPWNLYJORBOD-KRWDZBQOSA-N 2 0 324.472 2.695 20 0 DFADRP Cc1cc(C[NH+]2CCC(OCC[NH+](C)C)CC2)cc(C)c1O ZINC000347771286 285166818 /nfs/dbraw/zinc/16/68/18/285166818.db2.gz IXFHWWNZVQGJDH-UHFFFAOYSA-N 2 0 306.450 2.552 20 0 DFADRP Brc1ccc2c(c1)CC[C@H]([NH2+]C1CC[NH2+]CC1)C2 ZINC000423187778 296390260 /nfs/dbraw/zinc/39/02/60/296390260.db2.gz PNCARKKTAVAAMU-HNNXBMFYSA-N 2 0 309.251 2.648 20 0 DFADRP CCCCOc1ccc([C@@H](C)[NH2+]CCCN2CC[NH2+]CC2)cc1 ZINC000423190191 296390479 /nfs/dbraw/zinc/39/04/79/296390479.db2.gz SDHSKFNIWSDWHT-QGZVFWFLSA-N 2 0 319.493 2.811 20 0 DFADRP COc1cccc(N2CC[C@@H](C[NH2+][C@@H]3CC[N@H+](C)[C@H](C)C3)C2)c1 ZINC000157474854 197190460 /nfs/dbraw/zinc/19/04/60/197190460.db2.gz QLHMAVREELRQGM-IXDOHACOSA-N 2 0 317.477 2.594 20 0 DFADRP Cc1ccc(C)c2c1CCC[C@H]2[NH2+]CCCN1CC[NH2+]CC1 ZINC000423195504 296391220 /nfs/dbraw/zinc/39/12/20/296391220.db2.gz ZHVPLNUUYRNYQD-GOSISDBHSA-N 2 0 301.478 2.566 20 0 DFADRP Clc1ccc(C[C@@H]2CCC[C@@H]2[NH2+]CCN2CC[NH2+]CC2)cc1 ZINC000423203476 296392341 /nfs/dbraw/zinc/39/23/41/296392341.db2.gz MVNMJJFBQDLUAL-WMZOPIPTSA-N 2 0 321.896 2.546 20 0 DFADRP COCCOc1ccc([C@H](C)[NH2+][C@H](C)[C@H]2CCC[NH2+]C2)cc1 ZINC000423207483 296392587 /nfs/dbraw/zinc/39/25/87/296392587.db2.gz CTEPGBNNPOINBY-UXLLHSPISA-N 2 0 306.450 2.751 20 0 DFADRP CC(C)Sc1ccc([C@H](C)[NH2+]CCN2CC[NH2+]CC2)cc1 ZINC000423211107 296392707 /nfs/dbraw/zinc/39/27/07/296392707.db2.gz XYNSBHODAYZYMO-HNNXBMFYSA-N 2 0 307.507 2.743 20 0 DFADRP CC[NH+]1CCN(CC(C)(C)C[N@H+](C)Cc2ccccc2)CC1 ZINC000157428055 197186566 /nfs/dbraw/zinc/18/65/66/197186566.db2.gz NQMNRCGRZXIAOY-UHFFFAOYSA-N 2 0 303.494 2.782 20 0 DFADRP CC(C)CCOc1ccc([C@@H](C)[NH2+]CCN2CC[NH2+]CC2)cc1 ZINC000423201185 296392008 /nfs/dbraw/zinc/39/20/08/296392008.db2.gz HWAVKVVWYYFOGO-QGZVFWFLSA-N 2 0 319.493 2.667 20 0 DFADRP c1ccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@H](NC[C@@H]2CCC[NH2+]C2)C3)cc1 ZINC000423214724 296393151 /nfs/dbraw/zinc/39/31/51/296393151.db2.gz PJOHVOZFSZCNCO-WTGUMLROSA-N 2 0 313.489 2.771 20 0 DFADRP COCCc1nc(C)c([C@H](C)[NH2+][C@@H](C)[C@@H]2CCC[NH2+]C2)s1 ZINC000423217462 296393321 /nfs/dbraw/zinc/39/33/21/296393321.db2.gz PWLUQSDIKBCLMH-SGMGOOAPSA-N 2 0 311.495 2.679 20 0 DFADRP Fc1ccc(N2CCC([NH2+]C[C@H]3CCC[NH2+]C3)CC2)c(F)c1 ZINC000423216054 296393385 /nfs/dbraw/zinc/39/33/85/296393385.db2.gz RHVMIDHBIYKGCQ-ZDUSSCGKSA-N 2 0 309.404 2.523 20 0 DFADRP CC(C)NC(=O)Nc1ccc([C@H](C)[NH2+]C[C@H]2CCC[NH2+]C2)cc1 ZINC000423218463 296393745 /nfs/dbraw/zinc/39/37/45/296393745.db2.gz VPBLXGHWYXAGQX-GJZGRUSLSA-N 2 0 318.465 2.867 20 0 DFADRP C[C@H]([NH2+][C@@H](C)[C@@H]1CCC[NH2+]C1)c1cccc(N2CCOCC2)c1 ZINC000423219917 296393772 /nfs/dbraw/zinc/39/37/72/296393772.db2.gz UWFJCTDQMBPIOD-XYJFISCASA-N 2 0 317.477 2.562 20 0 DFADRP CC[NH2+]CCN[C@@H](Cc1ccccc1Br)C1CC1 ZINC000423229039 296394703 /nfs/dbraw/zinc/39/47/03/296394703.db2.gz AAVNFVJAHUGGFJ-HNNXBMFYSA-N 2 0 311.267 2.969 20 0 DFADRP C[C@H]([NH2+]C1CCN(c2ccc(F)cc2F)CC1)[C@H]1CCC[NH2+]C1 ZINC000423222037 296394097 /nfs/dbraw/zinc/39/40/97/296394097.db2.gz ZHSVJOHPUHYIRR-KBPBESRZSA-N 2 0 323.431 2.911 20 0 DFADRP COc1ccc([C@@H](C)[NH2+]CC[C@@H](C)[NH3+])cc1Br ZINC000423222727 296394301 /nfs/dbraw/zinc/39/43/01/296394301.db2.gz CHBRVBNSKBGEKO-NXEZZACHSA-N 2 0 301.228 2.846 20 0 DFADRP C[C@H]([NH3+])CCN[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H]2CCC[C@H]21 ZINC000423227135 296394588 /nfs/dbraw/zinc/39/45/88/296394588.db2.gz UPCDLASCNCQYSY-GDAAHCPNSA-N 2 0 301.478 2.757 20 0 DFADRP CCC[N@@H+]1CCC[C@H]1C(=O)NCC(C)(C)[NH+]1CCC[C@H](CC)C1 ZINC000347812907 285186126 /nfs/dbraw/zinc/18/61/26/285186126.db2.gz JQADAMDLRDFTSA-IRXDYDNUSA-N 2 0 323.525 2.878 20 0 DFADRP C[C@@H]([NH3+])CC[NH2+][C@H](C)c1ccc(I)cc1 ZINC000423242113 296396285 /nfs/dbraw/zinc/39/62/85/296396285.db2.gz YNGQULXAINSEAI-NXEZZACHSA-N 2 0 318.202 2.679 20 0 DFADRP c1ccc(C[N@H+]2C[C@@H]3CCC[C@H](NC[C@H]4CCC[NH2+]4)[C@@H]3C2)cc1 ZINC000423246636 296396656 /nfs/dbraw/zinc/39/66/56/296396656.db2.gz ZOVLMESHCHBWFD-NMLBUPMWSA-N 2 0 313.489 2.629 20 0 DFADRP C[C@@H]1CC[C@@H](NC2CC[NH+](CCc3ccc(F)cc3)CC2)C[NH2+]1 ZINC000629395731 399592241 /nfs/dbraw/zinc/59/22/41/399592241.db2.gz QLPXMIJYFHFRSH-DNVCBOLYSA-N 2 0 319.468 2.563 20 0 DFADRP C[C@@H]([NH2+]CC[C@@H]1CCC[NH2+]C1)c1ccc2c(c1)OCCCO2 ZINC000423259099 296397601 /nfs/dbraw/zinc/39/76/01/296397601.db2.gz NLICFUGBOYLHNZ-CABCVRRESA-N 2 0 304.434 2.888 20 0 DFADRP COc1cc(F)c([C@@H](C)[NH2+]CC[C@H]2CCC[NH2+]C2)cc1OC ZINC000423258935 296397675 /nfs/dbraw/zinc/39/76/75/296397675.db2.gz NDSZCCIJRNXTGN-CHWSQXEVSA-N 2 0 310.413 2.883 20 0 DFADRP COCCc1nc(C)c([C@@H](C)[NH2+]CC[C@@H]2CCC[NH2+]C2)s1 ZINC000423259596 296397721 /nfs/dbraw/zinc/39/77/21/296397721.db2.gz OLOUGLDOMMVDOA-OCCSQVGLSA-N 2 0 311.495 2.681 20 0 DFADRP C[C@@H](CCC1CCCCC1)[NH2+]Cc1cn([C@@H]2CC[NH2+]C2)nn1 ZINC000629406487 399595295 /nfs/dbraw/zinc/59/52/95/399595295.db2.gz WQTMOKNGDOXCGL-WMLDXEAASA-N 2 0 305.470 2.651 20 0 DFADRP CC(=O)NCCc1ccc([C@H](C)[NH2+][C@H]2CCCC[C@@H]2C[NH3+])cc1 ZINC000423265142 296398561 /nfs/dbraw/zinc/39/85/61/296398561.db2.gz AUNVJQSTGNFMAV-KYNGSXCRSA-N 2 0 317.477 2.533 20 0 DFADRP COc1cc(NC(C)=O)ccc1[C@H](C)[NH2+][C@H]1CCCC[C@@H]1C[NH3+] ZINC000423266736 296398580 /nfs/dbraw/zinc/39/85/80/296398580.db2.gz CDKJKUPKLTYHBB-QEORTHHSSA-N 2 0 319.449 2.822 20 0 DFADRP [NH3+]CCCOCC[NH2+]Cc1ccc(Br)cc1Cl ZINC000629399117 399593870 /nfs/dbraw/zinc/59/38/70/399593870.db2.gz LXCASKWAAQNJTL-UHFFFAOYSA-N 2 0 321.646 2.558 20 0 DFADRP COc1ccc(C[C@@H](C)[NH2+]CC[C@@H]2CCC[NH2+]C2)c(C)c1OC ZINC000423269970 296398777 /nfs/dbraw/zinc/39/87/77/296398777.db2.gz HMHWVVNFIMPXMO-ZBFHGGJFSA-N 2 0 320.477 2.923 20 0 DFADRP C[C@H]([NH2+][C@@H]1CCC[C@@H]1C[NH3+])c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000423269080 296398805 /nfs/dbraw/zinc/39/88/05/296398805.db2.gz GZYHSZCBHPFQAR-NJZAAPMLSA-N 2 0 301.434 2.694 20 0 DFADRP COCC[C@H](Cc1cccc(F)c1)[NH2+][C@H]1CCCC[C@@H]1C[NH3+] ZINC000423283762 296400918 /nfs/dbraw/zinc/40/09/18/296400918.db2.gz WEPXVNXJMKUFKE-NXHRZFHOSA-N 2 0 308.441 2.880 20 0 DFADRP C[N@@H+]1CC[C@H](N[C@@H]2CCCC[C@H]2C[NH3+])C[C@@H]1c1ccccc1 ZINC000423276843 296399757 /nfs/dbraw/zinc/39/97/57/296399757.db2.gz NKAKYCXZVMLDLW-INDMIFKZSA-N 2 0 301.478 2.929 20 0 DFADRP [NH3+]C[C@H]1CCC[C@@H]1[NH2+]C1CCN(c2ccc(F)cc2F)CC1 ZINC000423279178 296400165 /nfs/dbraw/zinc/40/01/65/296400165.db2.gz RPKURSGBFKOQIN-WBMJQRKESA-N 2 0 309.404 2.651 20 0 DFADRP C[C@@H]1CC[C@H](NCC(C)(C)C[N@H+](C)Cc2ccccc2)C[NH2+]1 ZINC000629411987 399596451 /nfs/dbraw/zinc/59/64/51/399596451.db2.gz JKSMMBIKINGWRT-AEFFLSMTSA-N 2 0 303.494 2.875 20 0 DFADRP CC[C@H]([NH2+]Cc1ccc([C@H](C)[NH3+])cc1)C1(C(=O)OC)CCC1 ZINC000423291040 296401489 /nfs/dbraw/zinc/40/14/89/296401489.db2.gz GKIHOMDCLRUCKP-BBRMVZONSA-N 2 0 304.434 2.918 20 0 DFADRP CCO[C@@H]1C[C@@H]([NH2+]Cc2ccc([C@@H](C)[NH3+])cc2)C12CCOCC2 ZINC000423291615 296401755 /nfs/dbraw/zinc/40/17/55/296401755.db2.gz IYMSXOBQQAYQSX-ZTFGCOKTSA-N 2 0 318.461 2.770 20 0 DFADRP COC(=O)c1coc([C@@H](C)[NH2+]Cc2ccc([C@H](C)[NH3+])cc2)c1 ZINC000423296811 296401820 /nfs/dbraw/zinc/40/18/20/296401820.db2.gz ZWRWFFOPTJPCKD-NWDGAFQWSA-N 2 0 302.374 2.937 20 0 DFADRP CCc1ccc(C[NH+]2CCC(OCC[NH+]3CCCC3)CC2)cn1 ZINC000347861895 285213771 /nfs/dbraw/zinc/21/37/71/285213771.db2.gz VNSMLXZXEWDUDH-UHFFFAOYSA-N 2 0 317.477 2.721 20 0 DFADRP CC[N@@H+]1CC[C@H]([NH2+]CCCc2nc3ccccc3[nH]2)[C@H](C)C1 ZINC000156159237 197090202 /nfs/dbraw/zinc/09/02/02/197090202.db2.gz SAUKSCYLXPYVBL-CABCVRRESA-N 2 0 300.450 2.815 20 0 DFADRP Clc1ccccc1C[C@H]([NH2+]C[C@H]1CC[NH2+]C1)[C@@H]1CCCO1 ZINC000423337552 296405958 /nfs/dbraw/zinc/40/59/58/296405958.db2.gz KHDCGTMPUXEIBS-JQFCIGGWSA-N 2 0 308.853 2.629 20 0 DFADRP C[C@H]([NH2+]C[C@@H]1CC[NH2+]C1)c1ccc(Br)c(F)c1 ZINC000423350271 296407498 /nfs/dbraw/zinc/40/74/98/296407498.db2.gz XDNYUCQXQUKGMP-VHSXEESVSA-N 2 0 301.203 2.848 20 0 DFADRP C[C@@H](Cc1ccc(Br)cc1)[NH2+]CC1=CC[NH2+]CC1 ZINC000423348197 296407096 /nfs/dbraw/zinc/40/70/96/296407096.db2.gz SFMWVRHQNWTIEQ-LBPRGKRZSA-N 2 0 309.251 2.889 20 0 DFADRP C[C@H]([NH2+][C@H]1CO[C@@H](C2CC2)C1)c1cccc(OCC[NH+](C)C)c1 ZINC000624221466 399602578 /nfs/dbraw/zinc/60/25/78/399602578.db2.gz APWSIIAWIGWJCD-POZUXBRTSA-N 2 0 318.461 2.845 20 0 DFADRP CC[NH+](CC)C[C@H](C)NC(=O)C(C)(C)[C@H]([NH3+])c1ccccc1 ZINC000423357310 296408104 /nfs/dbraw/zinc/40/81/04/296408104.db2.gz SEKHDEAXWBDMJU-GOEBONIOSA-N 2 0 305.466 2.559 20 0 DFADRP c1c2c(nn1-c1ccccc1)CCC[C@H]2[NH2+]CC1=CC[NH2+]CC1 ZINC000423360184 296408171 /nfs/dbraw/zinc/40/81/71/296408171.db2.gz VXBFSQKFIQEHKI-GOSISDBHSA-N 2 0 308.429 2.759 20 0 DFADRP CC[NH+](CC)C[C@H](C)NC(=O)C(C)(C)[C@@H]([NH3+])c1ccccc1 ZINC000423357311 296408309 /nfs/dbraw/zinc/40/83/09/296408309.db2.gz SEKHDEAXWBDMJU-HOCLYGCPSA-N 2 0 305.466 2.559 20 0 DFADRP CC(C)[C@H](C(=O)N1CCC[C@@H](C[NH+]2CCC(C)CC2)C1)[C@@H](C)[NH3+] ZINC000423363758 296408573 /nfs/dbraw/zinc/40/85/73/296408573.db2.gz VEVUGOIMCZRMJU-SQNIBIBYSA-N 2 0 323.525 2.576 20 0 DFADRP C[C@@H]([NH3+])c1ccc(C(=O)NC[C@@H](C)[NH+]2CCC(C)CC2)cc1 ZINC000423361269 296408584 /nfs/dbraw/zinc/40/85/84/296408584.db2.gz RJVCAGUITTZASO-HUUCEWRRSA-N 2 0 303.450 2.557 20 0 DFADRP C[C@H]([NH2+][C@H]1CCC[C@H]([NH3+])C1)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000423369491 296409278 /nfs/dbraw/zinc/40/92/78/296409278.db2.gz DWUOSZBURNWCNK-UBHSHLNASA-N 2 0 301.434 2.837 20 0 DFADRP CC(C)[C@H](C(=O)NCC(C)(C)[NH2+][C@@H](C)c1ccccc1)[C@H](C)[NH3+] ZINC000423367833 296409473 /nfs/dbraw/zinc/40/94/73/296409473.db2.gz AQZYZWDKJNGUTO-ZOBUZTSGSA-N 2 0 319.493 2.851 20 0 DFADRP C[C@@H](Cc1ccccc1)[NH+]1CCC(N[C@@H]2C[NH2+]CC[C@H]2C)CC1 ZINC000423375170 296410272 /nfs/dbraw/zinc/41/02/72/296410272.db2.gz XORHHDDMBHWCIN-FUHIMQAGSA-N 2 0 315.505 2.670 20 0 DFADRP CC[C@H]([NH2+]CC1(COC)CC[NH2+]CC1)c1ccc(OC)cc1 ZINC000423387186 296411297 /nfs/dbraw/zinc/41/12/97/296411297.db2.gz JRUBNDLGXZAQFS-KRWDZBQOSA-N 2 0 306.450 2.752 20 0 DFADRP COCC1(C[NH2+][C@H](Cc2ccccc2C)C2CC2)CC[NH2+]CC1 ZINC000423401060 296412718 /nfs/dbraw/zinc/41/27/18/296412718.db2.gz GCHGGGOAUJZQDL-LJQANCHMSA-N 2 0 316.489 2.922 20 0 DFADRP Cc1noc(C2CCC([NH2+]C[C@H]3CC[C@H](C[NH3+])CC3)CC2)n1 ZINC000423417125 296414743 /nfs/dbraw/zinc/41/47/43/296414743.db2.gz DWWOOYAKVUCQLM-MSBXVQKDSA-N 2 0 306.454 2.759 20 0 DFADRP COCC1(C[NH2+][C@H]2c3cc(F)ccc3C[C@H]2C)CC[NH2+]CC1 ZINC000423409894 296413650 /nfs/dbraw/zinc/41/36/50/296413650.db2.gz QYGYVEHXTCAACE-CXAGYDPISA-N 2 0 306.425 2.665 20 0 DFADRP COc1cc(NC(C)=O)ccc1[C@H](C)[NH2+][C@@H](C)CCCC[NH3+] ZINC000423427219 296415845 /nfs/dbraw/zinc/41/58/45/296415845.db2.gz IIXFEDSVHJGCJX-STQMWFEESA-N 2 0 307.438 2.822 20 0 DFADRP [NH3+][C@H](CC1CCCCC1)C(=O)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000423430358 296416040 /nfs/dbraw/zinc/41/60/40/296416040.db2.gz UHMITFNLTFECFS-ZWKOTPCHSA-N 2 0 321.509 2.761 20 0 DFADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)[C@@H]1C[C@]1(C)C(C)C ZINC000356445176 285247765 /nfs/dbraw/zinc/24/77/65/285247765.db2.gz JBTQLKSZJNQHFW-ZIFCJYIRSA-N 2 0 323.525 2.543 20 0 DFADRP Cc1c([C@@H](C)[NH2+][C@H](C)CCCC[NH3+])nnn1-c1ccc(F)cc1 ZINC000423439431 296416637 /nfs/dbraw/zinc/41/66/37/296416637.db2.gz SHDPFASPYJTQDO-CHWSQXEVSA-N 2 0 319.428 2.883 20 0 DFADRP C[C@@H](CCCC[NH3+])[NH2+][C@H](c1cnn(C)c1)c1cccc(F)c1 ZINC000423438644 296416816 /nfs/dbraw/zinc/41/68/16/296416816.db2.gz ROJYXDNFLIYZBR-GUYCJALGSA-N 2 0 304.413 2.756 20 0 DFADRP C[C@H]1C[C@@H]([NH2+]C[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)CCO1 ZINC000423460810 296418357 /nfs/dbraw/zinc/41/83/57/296418357.db2.gz BLLBVAZGNFENCF-QXRTWZOPSA-N 2 0 306.425 2.676 20 0 DFADRP COc1ccc([C@H](C)[NH2+]CCC[C@@H]2CCC[NH2+]2)cc1NC(C)=O ZINC000423465943 296418717 /nfs/dbraw/zinc/41/87/17/296418717.db2.gz ADZJNEQKRFAUFT-XJKSGUPXSA-N 2 0 319.449 2.836 20 0 DFADRP C[C@H]([NH2+]CCC(=O)N1CCC[C@@H]1C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000347934561 285255164 /nfs/dbraw/zinc/25/51/64/285255164.db2.gz OYBWJHCPOCUKIY-YESZJQIVSA-N 2 0 321.509 2.630 20 0 DFADRP C[C@H]([NH2+]CC1(N)CC[NH+](Cc2ccccc2)CC1)[C@H]1C[C@H]1C ZINC000423533019 296427207 /nfs/dbraw/zinc/42/72/07/296427207.db2.gz WJAUVCCXDVBDPC-RYRKJORJSA-N 2 0 301.478 2.614 20 0 DFADRP COc1ccc(C[C@H](C)[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)cc1OC ZINC000423538338 296427876 /nfs/dbraw/zinc/42/78/76/296427876.db2.gz GDPBSRCMJPHHAK-RKTXRCNFSA-N 2 0 318.461 2.613 20 0 DFADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)C1=CCCCCC1 ZINC000353711683 285275674 /nfs/dbraw/zinc/27/56/74/285275674.db2.gz CXFKOSUPFZQRTJ-SFHVURJKSA-N 2 0 321.509 2.751 20 0 DFADRP C[C@H](C(=O)NCCCC[NH+]1CCC(C)CC1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000120675572 195213929 /nfs/dbraw/zinc/21/39/29/195213929.db2.gz ZOJGLONJNCPBTL-FGTMMUONSA-N 2 0 323.525 2.876 20 0 DFADRP C[C@@H](C(=O)NCCCC[NH+]1CCC(C)CC1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000120675743 195214742 /nfs/dbraw/zinc/21/47/42/195214742.db2.gz ZOJGLONJNCPBTL-KSZLIROESA-N 2 0 323.525 2.876 20 0 DFADRP C[C@H]1CCC[C@H]([NH+]2CCC([NH2+]CCC3=CC[NH2+]CC3)CC2)C1 ZINC000423545067 296428314 /nfs/dbraw/zinc/42/83/14/296428314.db2.gz XFNMGRCPTJLWRO-LPHOPBHVSA-N 3 0 305.510 2.929 20 0 DFADRP COc1ccc(C[C@H](C)[NH2+]CCC2=CC[NH2+]CC2)cc1OC ZINC000423549162 296428880 /nfs/dbraw/zinc/42/88/80/296428880.db2.gz HMHBSLWSMNQDDO-AWEZNQCLSA-N 2 0 304.434 2.534 20 0 DFADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@@H](O)c2ccc(Cl)c(F)c2)[C@@H](C)C1 ZINC000271576718 209026488 /nfs/dbraw/zinc/02/64/88/209026488.db2.gz WMILDRSYZXHZBE-KNXALSJPSA-N 2 0 314.832 2.832 20 0 DFADRP OC[C@H]1CCC[N@@H+]1CCCC[NH2+][C@@H]1CCCc2c(O)cccc21 ZINC000291226193 285289871 /nfs/dbraw/zinc/28/98/71/285289871.db2.gz NVFLBYODCJMKMV-CRAIPNDOSA-N 2 0 318.461 2.596 20 0 DFADRP C[C@@H]([NH2+]Cc1ccc(OCC[NH+]2CCCC2)cc1)[C@@H]1CCCO1 ZINC000075782542 542473750 /nfs/dbraw/zinc/47/37/50/542473750.db2.gz AAHPVEXBDODNOH-APWZRJJASA-N 2 0 318.461 2.818 20 0 DFADRP CC(C)[C@H](C(=O)N[C@H](C[NH3+])c1ccc2ccccc2c1)[C@@H](C)[NH3+] ZINC000423614617 296434075 /nfs/dbraw/zinc/43/40/75/296434075.db2.gz QOBQOVWKOHHSOH-XWIAVFTESA-N 2 0 313.445 2.575 20 0 DFADRP CCc1ccc(C[NH+]2CCC(C[NH+]3CCN(C)CC3)CC2)cc1 ZINC000289480489 221007240 /nfs/dbraw/zinc/00/72/40/221007240.db2.gz QMMSPMRWXFLGGI-UHFFFAOYSA-N 2 0 315.505 2.708 20 0 DFADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)Cc1cccnc1Cl ZINC000289519413 221037288 /nfs/dbraw/zinc/03/72/88/221037288.db2.gz VEIKJHWFSIHLNP-MRXNPFEDSA-N 2 0 324.900 2.583 20 0 DFADRP Cc1ccc(C[NH+]2CCC(C[NH+]3CCN(C)CC3)CC2)cc1C ZINC000289545741 221055199 /nfs/dbraw/zinc/05/51/99/221055199.db2.gz XESLIZAPIDZDIW-UHFFFAOYSA-N 2 0 315.505 2.763 20 0 DFADRP CC1(C[NH2+]C[C@H]2CCCC[N@H+](Cc3ccccc3)C2)COC1 ZINC000289717640 221176098 /nfs/dbraw/zinc/17/60/98/221176098.db2.gz UOVFDLMOQORUKR-GOSISDBHSA-N 2 0 302.462 2.915 20 0 DFADRP Cc1cccc2c1C[C@H]([NH2+][C@H](Cc1ccccc1)[C@H](C)[NH3+])CO2 ZINC000629512906 399630258 /nfs/dbraw/zinc/63/02/58/399630258.db2.gz CWVQNDXISHPOKA-VDZJLULYSA-N 2 0 310.441 2.847 20 0 DFADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]C[C@@H]1Cc2ccccc2CO1 ZINC000629513629 399630502 /nfs/dbraw/zinc/63/05/02/399630502.db2.gz MGENIVSFXVIGAT-UGSOOPFHSA-N 2 0 311.429 2.641 20 0 DFADRP c1ccc2c(c1)CO[C@H](C[NH2+][C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1)C2 ZINC000629513046 399630778 /nfs/dbraw/zinc/63/07/78/399630778.db2.gz JZLGXKBHTACRGO-INDMIFKZSA-N 2 0 300.446 2.638 20 0 DFADRP CCN(C(=O)[C@H](C)[NH+](C)C)[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000078692942 542482829 /nfs/dbraw/zinc/48/28/29/542482829.db2.gz JZYINQZVQYJOLG-XYJFISCASA-N 2 0 317.477 2.621 20 0 DFADRP FC1(F)Oc2cccc(CC[NH2+][C@@H]3CC[C@@H]4C[NH2+]C[C@H]4C3)c2O1 ZINC000629516228 399632315 /nfs/dbraw/zinc/63/23/15/399632315.db2.gz ZBBJFYXSUGEHQG-MGPQQGTHSA-N 2 0 324.371 2.528 20 0 DFADRP COc1ccc2c(c1)C(C)(C)C[C@@H]2[NH2+]CC1([NH3+])CCOCC1 ZINC000629523435 399634957 /nfs/dbraw/zinc/63/49/57/399634957.db2.gz GLXKMPXRKSENFZ-INIZCTEOSA-N 2 0 304.434 2.515 20 0 DFADRP C[C@@H](Cc1cccc(C(F)(F)F)c1)[NH2+]CC1([NH3+])CCOCC1 ZINC000629521816 399635474 /nfs/dbraw/zinc/63/54/74/399635474.db2.gz VGAVYDVMVVHVLN-LBPRGKRZSA-N 2 0 316.367 2.734 20 0 DFADRP COCCOCc1ccc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000289895607 221299247 /nfs/dbraw/zinc/29/92/47/221299247.db2.gz YCDRLHHBDYLNGG-MOPGFXCFSA-N 2 0 318.461 2.566 20 0 DFADRP Cc1nccn1CCN1CCCC[C@H]1c1nnc(C(C)C)[nH]1 ZINC000289900266 221303059 /nfs/dbraw/zinc/30/30/59/221303059.db2.gz SUGKZTMMDGEDCM-AWEZNQCLSA-N 2 0 302.426 2.660 20 0 DFADRP C[NH2+]CCOCC[NH2+][C@H](C)[C@H](C)c1nc2ccccc2s1 ZINC000629528659 399636944 /nfs/dbraw/zinc/63/69/44/399636944.db2.gz GFFYFBUBAZVUHY-QWHCGFSZSA-N 2 0 307.463 2.614 20 0 DFADRP OCc1ccc(F)c(C[N@@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)c1 ZINC000629532032 399637916 /nfs/dbraw/zinc/63/79/16/399637916.db2.gz JCAQWQBWVRHTLJ-CVEARBPZSA-N 2 0 306.425 2.530 20 0 DFADRP C[C@@H]1CCC[C@@H]([NH+]2CCC([NH2+]CCN(C)CC(F)F)CC2)C1 ZINC000624324056 399638869 /nfs/dbraw/zinc/63/88/69/399638869.db2.gz FQECNZJQCFLSCQ-GDBMZVCRSA-N 2 0 317.468 2.816 20 0 DFADRP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCC[N@H+](Cc3cc(O)ccc3Cl)C2)C1 ZINC000629534856 399639006 /nfs/dbraw/zinc/63/90/06/399639006.db2.gz BQPZQADKEGYXDL-DXCKQFNASA-N 2 0 324.852 2.764 20 0 DFADRP COc1ccc2oc([C@@H](C)[NH2+]CCOCCC[NH3+])c(C)c2c1 ZINC000629542303 399641207 /nfs/dbraw/zinc/64/12/07/399641207.db2.gz YABBSSQSHWHRHJ-CYBMUJFWSA-N 2 0 306.406 2.766 20 0 DFADRP OCc1ccc(F)c(C[NH+]2CCC([C@@H]3CCC[NH2+]C3)CC2)c1 ZINC000629544504 399642355 /nfs/dbraw/zinc/64/23/55/399642355.db2.gz IXAFVCBOGXXWDW-MRXNPFEDSA-N 2 0 306.425 2.530 20 0 DFADRP O[C@H](C[NH2+]CC1(Cc2ccccc2)CCCC1)C[NH+]1CCCC1 ZINC000629576159 399653300 /nfs/dbraw/zinc/65/33/00/399653300.db2.gz QLTMEXMCCXXPON-LJQANCHMSA-N 2 0 316.489 2.836 20 0 DFADRP C[N@H+](CCCSc1ccccc1Cl)CCOCC[NH3+] ZINC000629579589 399654034 /nfs/dbraw/zinc/65/40/34/399654034.db2.gz UKUYNYPUTHQEFD-UHFFFAOYSA-N 2 0 302.871 2.729 20 0 DFADRP CC1(C)[C@@H](c2ccc(F)cc2)CC[N@@H+]1C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000629576377 399654147 /nfs/dbraw/zinc/65/41/47/399654147.db2.gz UIMOQFAMMZKVNX-IAGOWNOFSA-N 2 0 318.436 2.915 20 0 DFADRP C[C@H]1CCCC[N@@H+]1CCC1CCN(C(=O)C2([NH+](C)C)CC2)CC1 ZINC000612471131 399659307 /nfs/dbraw/zinc/65/93/07/399659307.db2.gz UBJVEJPOEGDBCE-INIZCTEOSA-N 2 0 321.509 2.584 20 0 DFADRP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCC[N@@H+]2Cc2cc(O)ccc2Cl)C1 ZINC000629549102 399643512 /nfs/dbraw/zinc/64/35/12/399643512.db2.gz QDWUYVSBPHUZHF-XYPHTWIQSA-N 2 0 324.852 2.906 20 0 DFADRP O[C@H]1CCN(CC[NH2+][C@H]2CC[C@H](c3ccc(Cl)cc3)C2)C1 ZINC000624339023 399644489 /nfs/dbraw/zinc/64/44/89/399644489.db2.gz KBBLNCBVWJJRQW-XIRDDKMYSA-N 2 0 308.853 2.632 20 0 DFADRP CC(C)C[C@@H]1CCC[C@@H]([NH2+]Cc2cn([C@@H]3CC[NH2+]C3)nn2)C1 ZINC000629551871 399645426 /nfs/dbraw/zinc/64/54/26/399645426.db2.gz YCYHWABAVBTBDA-ZMSDIMECSA-N 2 0 305.470 2.507 20 0 DFADRP O[C@H](C[NH2+]CCc1cc(Cl)cc(Cl)c1)C[NH+]1CCCC1 ZINC000629558129 399647589 /nfs/dbraw/zinc/64/75/89/399647589.db2.gz AXURIAXNDIAHEU-OAHLLOKOSA-N 2 0 317.260 2.582 20 0 DFADRP COc1ccc(C)cc1CN1CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000629567662 399652621 /nfs/dbraw/zinc/65/26/21/399652621.db2.gz PRTPUSATKXQICA-ZIAGYGMSSA-N 2 0 316.367 2.963 20 0 DFADRP C[N@H+](CCOCC[NH3+])Cc1cc(Cl)ccc1OCC1CC1 ZINC000629663361 399681255 /nfs/dbraw/zinc/68/12/55/399681255.db2.gz IPAXLSRDYGTQRA-UHFFFAOYSA-N 2 0 312.841 2.536 20 0 DFADRP C[NH+](C)CCc1ccc(-c2ccc(C[C@@H](C[NH3+])CO)cc2)cc1 ZINC000629730911 399705051 /nfs/dbraw/zinc/70/50/51/399705051.db2.gz AKQXYGQWPSEFNV-SFHVURJKSA-N 2 0 312.457 2.567 20 0 DFADRP [NH3+]C1CC[NH+](Cc2cccc(-c3cc(F)ccc3CO)c2)CC1 ZINC000629732555 399706773 /nfs/dbraw/zinc/70/67/73/399706773.db2.gz QKURIKWYXIABGO-UHFFFAOYSA-N 2 0 314.404 2.908 20 0 DFADRP C[NH+](C)Cc1ccc(F)c(-c2cnn(C3CC[NH2+]CC3)c2)c1 ZINC000629736460 399708777 /nfs/dbraw/zinc/70/87/77/399708777.db2.gz GYYCPMPRNVOHIO-UHFFFAOYSA-N 2 0 302.397 2.675 20 0 DFADRP CN1CC[NH+](Cc2ccccc2-c2ccc([C@@H]3C[C@H]3[NH3+])cc2)CC1 ZINC000629736236 399709237 /nfs/dbraw/zinc/70/92/37/399709237.db2.gz MDDFKGYVPGVXOH-LEWJYISDSA-N 2 0 321.468 2.916 20 0 DFADRP C[NH+](C)Cc1cc(-c2cccc(C[C@H](C[NH3+])CO)c2)ccc1F ZINC000629738530 399709772 /nfs/dbraw/zinc/70/97/72/399709772.db2.gz NTWCZMXJRHLEBT-OAHLLOKOSA-N 2 0 316.420 2.664 20 0 DFADRP Cc1nccnc1CC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000294973130 224349718 /nfs/dbraw/zinc/34/97/18/224349718.db2.gz KBXKKDXRLKYTQI-VQIMIIECSA-N 2 0 324.472 2.828 20 0 DFADRP Cc1ncc([C@H](C)[NH2+]CCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)s1 ZINC000090405913 542536042 /nfs/dbraw/zinc/53/60/42/542536042.db2.gz CYYUKFPANFZEOF-MJBXVCDLSA-N 2 0 311.495 2.992 20 0 DFADRP C[NH2+][C@H](CC(C)(C)C)C(=O)N1CCC[C@H]([NH+]2[C@H](C)CC[C@H]2C)C1 ZINC000423721888 296441809 /nfs/dbraw/zinc/44/18/09/296441809.db2.gz CJNBJTRRKNGYTP-WCXIOVBPSA-N 2 0 323.525 2.874 20 0 DFADRP Cc1ncc([C@@H](C)[NH2+]Cc2ccnc(OCC[NH+](C)C)c2)s1 ZINC000090937490 542538841 /nfs/dbraw/zinc/53/88/41/542538841.db2.gz NNAZSMNIWCWANQ-GFCCVEGCSA-N 2 0 320.462 2.638 20 0 DFADRP C[C@H]([NH2+]Cc1cccnc1OCC(F)F)C1CC[NH+](C)CC1 ZINC000090942505 542539108 /nfs/dbraw/zinc/53/91/08/542539108.db2.gz KLYJTQOTRIYDAB-LBPRGKRZSA-N 2 0 313.392 2.545 20 0 DFADRP C[NH+](C)CCOc1ccc(C[N@@H+]2CCO[C@@H]3CCCC[C@@H]32)cc1 ZINC000091978718 542543493 /nfs/dbraw/zinc/54/34/93/542543493.db2.gz ZXFHMWXUQVLZJH-RBUKOAKNSA-N 2 0 318.461 2.770 20 0 DFADRP C[C@H]1SCC[N@H+](Cc2ccc(OCC[NH+](C)C)cc2)[C@H]1C ZINC000093499758 542554173 /nfs/dbraw/zinc/55/41/73/542554173.db2.gz YBDSGEBEDZPTTD-LSDHHAIUSA-N 2 0 308.491 2.953 20 0 DFADRP CC(C)CN(C(=O)c1ccc([C@@H](C)[NH3+])cc1)C1CC[NH+](C)CC1 ZINC000423737434 296442696 /nfs/dbraw/zinc/44/26/96/296442696.db2.gz APOUDSVGORQEGC-OAHLLOKOSA-N 2 0 317.477 2.899 20 0 DFADRP [NH3+]CCCC(=O)N(CC[NH+]1CCCC1)Cc1ccc(Cl)cc1 ZINC000423749794 296443366 /nfs/dbraw/zinc/44/33/66/296443366.db2.gz CBYBGDUXZYXIRZ-UHFFFAOYSA-N 2 0 323.868 2.503 20 0 DFADRP C[C@H]([NH2+]Cc1ccccc1Cn1cccn1)C1CC[NH+](C)CC1 ZINC000119296773 542571538 /nfs/dbraw/zinc/57/15/38/542571538.db2.gz DHGZXTZOIRSEEZ-INIZCTEOSA-N 2 0 312.461 2.751 20 0 DFADRP CC[C@]1(C(=O)Nc2cccc(CC[NH+]3CCCC3)c2)CCC[NH2+]1 ZINC000423769764 296445359 /nfs/dbraw/zinc/44/53/59/296445359.db2.gz GPNBZEGEUBMHCO-LJQANCHMSA-N 2 0 315.461 2.796 20 0 DFADRP Cc1cccc(C[N@@H+](C)CC2CC[NH+](C[C@@H](C)O)CC2)c1C ZINC000121109994 195295378 /nfs/dbraw/zinc/29/53/78/195295378.db2.gz BTOKLHBFDWFPGI-MRXNPFEDSA-N 2 0 304.478 2.828 20 0 DFADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+][C@@H]2CCc3c2cccc3C)CC1 ZINC000121140881 195298435 /nfs/dbraw/zinc/29/84/35/195298435.db2.gz URPQHRPCFRTSFU-OXJNMPFZSA-N 2 0 315.505 2.846 20 0 DFADRP C[C@@H](C[NH2+]C1CCN(c2ccccn2)CC1)C[NH+]1CCCCC1 ZINC000121590321 195312727 /nfs/dbraw/zinc/31/27/27/195312727.db2.gz HNTMUDUWPCFVHU-KRWDZBQOSA-N 2 0 316.493 2.762 20 0 DFADRP CCC[NH+]1CCC(C[NH2+][C@H]2CCO[C@H](C(F)(F)F)C2)CC1 ZINC000348124329 285365879 /nfs/dbraw/zinc/36/58/79/285365879.db2.gz VYCFINZHZXCTLY-KBPBESRZSA-N 2 0 308.388 2.808 20 0 DFADRP CCN(CCC[NH+](CC)CC)C(=O)c1ccc([C@@H](C)[NH3+])cc1 ZINC000423777697 296446507 /nfs/dbraw/zinc/44/65/07/296446507.db2.gz GDBXVZHOGBDIGH-OAHLLOKOSA-N 2 0 305.466 2.900 20 0 DFADRP C[C@@H](C[NH2+]CCCC[N@@H+]1CCC[C@@H]1CO)c1ccc(F)cc1 ZINC000127905869 195920171 /nfs/dbraw/zinc/92/01/71/195920171.db2.gz RKOHIHPUWOVCED-MAUKXSAKSA-N 2 0 308.441 2.756 20 0 DFADRP CCN(CC)C(=O)[C@H](C)[N@H+](CC)Cc1ccc(C[NH+](C)C)cc1 ZINC000626062513 399741292 /nfs/dbraw/zinc/74/12/92/399741292.db2.gz VLDPCBHQNPSRRY-INIZCTEOSA-N 2 0 319.493 2.827 20 0 DFADRP CC[N@H+](Cc1ccc(C[NH+](C)C)cc1)[C@H](C)C(=O)NCC(C)C ZINC000626062460 399741737 /nfs/dbraw/zinc/74/17/37/399741737.db2.gz SVQBPUAIPLRBQY-MRXNPFEDSA-N 2 0 319.493 2.731 20 0 DFADRP C[C@@H]([NH3+])[C@@H](C)C(=O)Nc1cccc(CC[NH+]2CCC(C)CC2)c1 ZINC000423847401 296455908 /nfs/dbraw/zinc/45/59/08/296455908.db2.gz OQJSLUNILOBAEB-HZPDHXFCSA-N 2 0 317.477 2.883 20 0 DFADRP CCC[C@H](C)[C@@H]1CCCN1C(=O)CCC[NH+]1CCC([NH3+])CC1 ZINC000423858439 296457566 /nfs/dbraw/zinc/45/75/66/296457566.db2.gz ZMVZFHLRDXPYSG-RDJZCZTQSA-N 2 0 309.498 2.617 20 0 DFADRP COC[C@@H](C)C[NH2+]C1CC[NH+]([C@@H](C)Cc2ccccc2)CC1 ZINC000449104824 297406206 /nfs/dbraw/zinc/40/62/06/297406206.db2.gz GMFRFDCFSHQACM-IRXDYDNUSA-N 2 0 304.478 2.954 20 0 DFADRP CC(C)[NH+]1CCC(O)(C[NH2+]C[C@@H]2C[C@@H]2c2ccccc2)CC1 ZINC000348250118 285449654 /nfs/dbraw/zinc/44/96/54/285449654.db2.gz WCHJNPIMPGGFDJ-ZWKOTPCHSA-N 2 0 302.462 2.615 20 0 DFADRP [NH3+]C[C@@H]1Cc2ccccc2N(C(=O)CC[C@H]([NH3+])c2ccccc2)C1 ZINC000632869593 399772698 /nfs/dbraw/zinc/77/26/98/399772698.db2.gz RXGGERZBFRXXCO-YJBOKZPZSA-N 2 0 323.440 2.631 20 0 DFADRP COc1ccccc1O[C@@H](C)C[NH2+][C@@H](C)C1CC[NH+](C)CC1 ZINC000129669383 542625958 /nfs/dbraw/zinc/62/59/58/542625958.db2.gz PITKHIGOXUJWFX-GJZGRUSLSA-N 2 0 306.450 2.782 20 0 DFADRP CCc1ccccc1[C@@H]([NH3+])CNC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC000423937192 296468099 /nfs/dbraw/zinc/46/80/99/296468099.db2.gz GAXVUFKMKORGDN-YJBOKZPZSA-N 2 0 317.477 2.630 20 0 DFADRP CC1(C)[C@H]([NH3+])C[C@@H]1[NH2+]CCOc1ccc(OC(F)(F)F)cc1 ZINC000603432614 399775513 /nfs/dbraw/zinc/77/55/13/399775513.db2.gz JKGLJXASADUORW-OLZOCXBDSA-N 2 0 318.339 2.679 20 0 DFADRP CC(C)[NH+]1CCC(C(=O)N[C@H](CCC[NH3+])c2ccccc2)CC1 ZINC000423977357 296470940 /nfs/dbraw/zinc/47/09/40/296470940.db2.gz VQBWJONROQPRID-GOSISDBHSA-N 2 0 317.477 2.703 20 0 DFADRP CC[NH+](CC)[C@H](C(=O)N1CC[C@H](C)[C@H](C[NH3+])C1)c1ccccc1 ZINC000424003024 296473731 /nfs/dbraw/zinc/47/37/31/296473731.db2.gz QYKBSBZHWWCMQA-JQHSSLGASA-N 2 0 317.477 2.513 20 0 DFADRP Cc1ccccc1NC(=O)CC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000151302273 542666186 /nfs/dbraw/zinc/66/61/86/542666186.db2.gz UFCSBVKJLFJPQL-UHFFFAOYSA-N 2 0 324.428 2.541 20 0 DFADRP C[C@@H]([NH2+]Cc1cccc(Cn2ccnc2)c1)C1CC[NH+](C)CC1 ZINC000151363230 542666992 /nfs/dbraw/zinc/66/69/92/542666992.db2.gz JLPBMKNIPFQRBQ-MRXNPFEDSA-N 2 0 312.461 2.751 20 0 DFADRP C[C@@H]([NH2+]Cc1cnn(Cc2ccccc2)c1)C1CC[NH+](C)CC1 ZINC000152611898 542678167 /nfs/dbraw/zinc/67/81/67/542678167.db2.gz RROIWZDLZJZKER-MRXNPFEDSA-N 2 0 312.461 2.751 20 0 DFADRP C[C@H](CN[C@@H]1CC[N@H+](C)[C@H](c2ccccc2)C1)[NH+](C)C1CC1 ZINC000340232281 131239173 /nfs/dbraw/zinc/23/91/73/131239173.db2.gz QFYJKCGXZXOGGY-SUMDDJOVSA-N 2 0 301.478 2.894 20 0 DFADRP COc1ccncc1C[N@@H+]1CC[C@H](CNc2cccc(C)[nH+]2)C1 ZINC000287812517 131301480 /nfs/dbraw/zinc/30/14/80/131301480.db2.gz PGFAXSVTJJJSPQ-OAHLLOKOSA-N 2 0 312.417 2.728 20 0 DFADRP C[C@@H]([NH2+][C@@H](C)C1CC[NH+](C)CC1)c1ccc(-n2cncn2)cc1 ZINC000158898683 542714878 /nfs/dbraw/zinc/71/48/78/542714878.db2.gz JPWBIKXXYNIQDD-CABCVRRESA-N 2 0 313.449 2.648 20 0 DFADRP C[C@H]([NH2+][C@@H](C)C1CC[NH+](C)CC1)c1ccc(-n2cncn2)cc1 ZINC000158898511 542714953 /nfs/dbraw/zinc/71/49/53/542714953.db2.gz JPWBIKXXYNIQDD-GJZGRUSLSA-N 2 0 313.449 2.648 20 0 DFADRP COc1ccc([C@H](C)[C@H](C)[NH2+]CCN2CCC(OC)CC2)cc1 ZINC000163702760 542743343 /nfs/dbraw/zinc/74/33/43/542743343.db2.gz SNIZTIVRUJVCON-CVEARBPZSA-N 2 0 320.477 2.888 20 0 DFADRP C[NH+](C)[C@H](CN[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)c1cccc(F)c1 ZINC000165946324 542750266 /nfs/dbraw/zinc/75/02/66/542750266.db2.gz CSHPIBCXRORVCX-KZNAEPCWSA-N 2 0 305.441 2.645 20 0 DFADRP C(N[C@H]1CC[N@@H+]2CCC[C@@H]2C1)C1([NH+]2CCSCC2)CCCC1 ZINC000166142121 542750589 /nfs/dbraw/zinc/75/05/89/542750589.db2.gz VAOXKUCJLTZXDL-DLBZAZTESA-N 2 0 323.550 2.564 20 0 DFADRP C[C@H](COc1ccc(F)cc1F)[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000166292452 542751678 /nfs/dbraw/zinc/75/16/78/542751678.db2.gz SDVYKOSOGNAZHB-VHDGCEQUSA-N 2 0 310.388 2.949 20 0 DFADRP COc1cccc(O[C@H](C)C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000166720707 542752053 /nfs/dbraw/zinc/75/20/53/542752053.db2.gz GFCQQTNPFOFRMU-OWCLPIDISA-N 2 0 304.434 2.679 20 0 DFADRP CCC(CC)(CNC(=O)[C@H]1CCC[NH2+]1)[NH2+][C@H](C)c1ccccc1 ZINC000168760604 542754275 /nfs/dbraw/zinc/75/42/75/542754275.db2.gz ACACEFFOPHNABC-NVXWUHKLSA-N 2 0 317.477 2.764 20 0 DFADRP C[NH+]1CCC(CNC(=O)CC[C@@H]([NH3+])CC2CCCCC2)CC1 ZINC000424143855 296487778 /nfs/dbraw/zinc/48/77/78/296487778.db2.gz GOEXHZJSEAIHJF-QGZVFWFLSA-N 2 0 309.498 2.522 20 0 DFADRP [NH3+][C@@H]1CCC[C@@H]1C(=O)Nc1cccc(C[NH+]2CCCCC2)c1 ZINC000237932478 542907733 /nfs/dbraw/zinc/90/77/33/542907733.db2.gz IPVYEDWZZZWVMI-DLBZAZTESA-N 2 0 301.434 2.738 20 0 DFADRP CC[NH+](CC)[C@H](CNC(=O)c1ccc(C[NH3+])o1)c1ccsc1 ZINC000236887608 542898568 /nfs/dbraw/zinc/89/85/68/542898568.db2.gz AQDQECHFAYVAGW-CQSZACIVSA-N 2 0 321.446 2.613 20 0 DFADRP CC[NH+](CC)Cc1cccc(NC(=O)c2ccc(C[NH3+])o2)c1 ZINC000236930160 542899651 /nfs/dbraw/zinc/89/96/51/542899651.db2.gz JNHLJDCCPGLDNZ-UHFFFAOYSA-N 2 0 301.390 2.832 20 0 DFADRP CN1CCC[C@H]([NH2+]Cc2ccc(C(=O)OC(C)(C)C)cc2)C1 ZINC000613235027 399827354 /nfs/dbraw/zinc/82/73/54/399827354.db2.gz PAPHERJTJQJUIN-INIZCTEOSA-N 2 0 304.434 2.826 20 0 DFADRP C[C@H](Cc1ccc(Br)cc1)[NH2+][C@H]1CC[NH2+]C[C@@H]1C ZINC000261584741 542952022 /nfs/dbraw/zinc/95/20/22/542952022.db2.gz SOOWNLMSKUIZPI-ZOWXZIJZSA-N 2 0 311.267 2.968 20 0 DFADRP CC[N@H+](Cc1ccc(C(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)cc1)C(C)C ZINC000275593295 542975582 /nfs/dbraw/zinc/97/55/82/542975582.db2.gz FTVCGEAMQLNNQK-QZTJIDSGSA-N 2 0 317.477 2.917 20 0 DFADRP CCC[N@H+](CC)Cc1ccc(C(=O)N[C@@H]2CCC[C@H]([NH3+])C2)cc1 ZINC000275805656 542976288 /nfs/dbraw/zinc/97/62/88/542976288.db2.gz UHFOFOPVIREHFW-ZWKOTPCHSA-N 2 0 317.477 2.918 20 0 DFADRP C[C@@H]1CCC[C@@H](C[NH+]2CCC(n3ncc4c3C[NH2+]C4)CC2)C1 ZINC000424378378 296505759 /nfs/dbraw/zinc/50/57/59/296505759.db2.gz NALKVWIIIRFPBC-HUUCEWRRSA-N 2 0 302.466 2.950 20 0 DFADRP CC[N@@H+]1CC[C@@H]([NH2+]CCc2cccc(C(F)(F)F)n2)[C@@H](C)C1 ZINC000293774007 543021955 /nfs/dbraw/zinc/02/19/55/543021955.db2.gz SKJKDWJGPQGKJM-GXTWGEPZSA-N 2 0 315.383 2.963 20 0 DFADRP CC[NH+](CC)C[C@H]1CC[N@H+](C[C@H](Cc2ccccc2)OC)C1 ZINC000295087450 543029873 /nfs/dbraw/zinc/02/98/73/543029873.db2.gz RTWQOPSIRVKHCF-MOPGFXCFSA-N 2 0 304.478 2.908 20 0 DFADRP COCC[C@H](C)[N@@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000309982706 543066676 /nfs/dbraw/zinc/06/66/76/543066676.db2.gz VXLXDSXMBLSBMH-YTQUADARSA-N 2 0 302.462 2.865 20 0 DFADRP C[C@@H]([NH2+][C@@H](C)C1CC[NH+](C)CC1)c1ccc(NC(N)=O)cc1 ZINC000315544041 543071969 /nfs/dbraw/zinc/07/19/69/543071969.db2.gz MGEJVOVKTXDDMA-OLZOCXBDSA-N 2 0 304.438 2.558 20 0 DFADRP Cc1ccc2c(c1)[C@H]([NH2+]CC(C)(C)N1CC[NH+](C)CC1)CC2 ZINC000316798694 543074083 /nfs/dbraw/zinc/07/40/83/543074083.db2.gz HLHKMYRMENYBDP-GOSISDBHSA-N 2 0 301.478 2.598 20 0 DFADRP COc1cc(C)ccc1[C@H](C)[NH2+]CC(C)(C)N1CC[NH+](C)CC1 ZINC000319815769 543080608 /nfs/dbraw/zinc/08/06/08/543080608.db2.gz JHLUBUUSWHKBIS-INIZCTEOSA-N 2 0 319.493 2.680 20 0 DFADRP C[C@H]([NH2+]CC(C)(C)N1CC[NH+](C)CC1)c1ccc2c(c1)CCC2 ZINC000319987467 543081160 /nfs/dbraw/zinc/08/11/60/543081160.db2.gz KIDPSSLZPLSHCV-INIZCTEOSA-N 2 0 315.505 2.852 20 0 DFADRP CCCCN(CCCC)C(=O)CN1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000320998676 543083830 /nfs/dbraw/zinc/08/38/30/543083830.db2.gz NHSKPONEBUILFQ-ROUUACIJSA-N 2 0 323.525 2.879 20 0 DFADRP CC(C)C[C@H](NC(=O)CN1CC[C@@](C)(C[NH3+])C1)c1ccccc1 ZINC000337774677 543132052 /nfs/dbraw/zinc/13/20/52/543132052.db2.gz WXCNSHQDFCNMLA-HKUYNNGSSA-N 2 0 317.477 2.561 20 0 DFADRP C[C@H]1C[C@H](CC[NH2+]Cc2cncnc2)C[N@@H+]1Cc1ccccc1 ZINC000338195244 543135206 /nfs/dbraw/zinc/13/52/06/543135206.db2.gz MFKCAAFZUMESKZ-WMZOPIPTSA-N 2 0 310.445 2.867 20 0 DFADRP FC(F)(F)c1csc(CC[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)n1 ZINC000339067092 543140132 /nfs/dbraw/zinc/14/01/32/543140132.db2.gz FNLUZMGNTNHWFC-QWRGUYRKSA-N 2 0 319.396 2.921 20 0 DFADRP C[C@@H]1CCCC[N@@H+]1CCC(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000339233459 543141246 /nfs/dbraw/zinc/14/12/46/543141246.db2.gz CNRFVRSXMOVXOI-AEFFLSMTSA-N 2 0 317.477 2.670 20 0 DFADRP COC1(C)CC[NH+](CC[C@H](C)[NH+]2CCC(C)(OC)CC2)CC1 ZINC000342180130 543161770 /nfs/dbraw/zinc/16/17/70/543161770.db2.gz OOTXLNCNVBJCLE-INIZCTEOSA-N 2 0 312.498 2.767 20 0 DFADRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+][C@@H]1CCCc2ccc(F)cc21 ZINC000349339448 285838537 /nfs/dbraw/zinc/83/85/37/285838537.db2.gz CVFGWXXBEZMLMY-DNVCBOLYSA-N 2 0 319.468 2.819 20 0 DFADRP C[C@H]([NH2+]CCCN1CCc2ccccc21)C1CC[NH+](C)CC1 ZINC000386992616 543301573 /nfs/dbraw/zinc/30/15/73/543301573.db2.gz COOVFDXKKVBUFW-INIZCTEOSA-N 2 0 301.478 2.759 20 0 DFADRP C[C@H]([NH2+][C@@H]1CCN(Cc2ccccc2)C1)C1CC[NH+](C)CC1 ZINC000390765964 543306843 /nfs/dbraw/zinc/30/68/43/543306843.db2.gz QPLMMBOAACFNSD-QFBILLFUSA-N 3 0 301.478 2.581 20 0 DFADRP C[N@H+](C[C@@H]1CC[NH+](Cc2ccccc2)C1)C[C@@H]1CCC[C@@H](O)C1 ZINC000390821449 543306904 /nfs/dbraw/zinc/30/69/04/543306904.db2.gz YTJPFTXGZHGPKD-HSALFYBXSA-N 2 0 316.489 2.991 20 0 DFADRP C[N@H+](C[C@@H]1CC[NH+](Cc2ccccc2)C1)C[C@@H]1CCC[C@H](O)C1 ZINC000390821447 543306941 /nfs/dbraw/zinc/30/69/41/543306941.db2.gz YTJPFTXGZHGPKD-AABGKKOBSA-N 2 0 316.489 2.991 20 0 DFADRP C[N@H+](C[C@H]1CC[NH+](Cc2ccccc2)C1)C[C@@H]1CCC[C@@H](O)C1 ZINC000390821450 543307086 /nfs/dbraw/zinc/30/70/86/543307086.db2.gz YTJPFTXGZHGPKD-VAMGGRTRSA-N 2 0 316.489 2.991 20 0 DFADRP CS[C@@H]1CC[C@H]1[NH2+]Cc1ccccc1C[NH+]1CCC(O)CC1 ZINC000425352977 296571762 /nfs/dbraw/zinc/57/17/62/296571762.db2.gz MYMOWGFORYLOTI-QZTJIDSGSA-N 2 0 320.502 2.627 20 0 DFADRP CC1CC[NH+](Cc2ccc(NC(=O)C[C@@H]3CCC[NH2+]3)cc2)CC1 ZINC000164562589 145225148 /nfs/dbraw/zinc/22/51/48/145225148.db2.gz JYQDMSKHDTZWBO-SFHVURJKSA-N 2 0 315.461 2.999 20 0 DFADRP O=C(C[C@H]1CCC[NH2+]1)Nc1cccc(C[NH+]2CCCCC2)c1 ZINC000165137579 145229742 /nfs/dbraw/zinc/22/97/42/145229742.db2.gz PBGRTYSGOZPMDR-MRXNPFEDSA-N 2 0 301.434 2.753 20 0 DFADRP CCO[C@@H](CC[NH+](C)C)C[NH2+][C@@H](C)c1c(C)nn(CC)c1C ZINC000166034119 145232630 /nfs/dbraw/zinc/23/26/30/145232630.db2.gz VEFGIVWPJUOAIZ-BBRMVZONSA-N 2 0 310.486 2.527 20 0 DFADRP C[C@H]([NH2+]C[C@H](C1CC1)N(C)C)c1ccc(OCC[NH+](C)C)cc1 ZINC000166197371 145232850 /nfs/dbraw/zinc/23/28/50/145232850.db2.gz ROVPOWNXRFKQJT-HNAYVOBHSA-N 2 0 319.493 2.618 20 0 DFADRP C[NH+](C)[C@@H](CNC1CC[NH+](CCc2ccccc2)CC1)C1CC1 ZINC000166232109 145234688 /nfs/dbraw/zinc/23/46/88/145234688.db2.gz XWHMDUQVTARGBJ-FQEVSTJZSA-N 2 0 315.505 2.623 20 0 DFADRP CC1CCC([NH+]2CCC(N(C)C(=O)[C@H]3CC[C@@H]([NH3+])C3)CC2)CC1 ZINC000166556217 145235904 /nfs/dbraw/zinc/23/59/04/145235904.db2.gz FCDXZVAQRSPCRT-BNQMIIOLSA-N 2 0 321.509 2.615 20 0 DFADRP CC1CCC([NH+]2CCC(N(C)C(=O)[C@@H]3CCCC[NH2+]3)CC2)CC1 ZINC000166557556 145236055 /nfs/dbraw/zinc/23/60/55/145236055.db2.gz JOPALDSGYSQVQX-VJFUWPCTSA-N 2 0 321.509 2.630 20 0 DFADRP C[C@@H](CC(=O)NCCCCC[NH+]1CCCCC1)[C@H]1CCC[NH2+]C1 ZINC000168742997 145243470 /nfs/dbraw/zinc/24/34/70/145243470.db2.gz OQAGBQIVZZFIFV-ROUUACIJSA-N 2 0 323.525 2.785 20 0 DFADRP CC(C)C[C@@H](C)N(C)C(=O)C[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000171385983 145264204 /nfs/dbraw/zinc/26/42/04/145264204.db2.gz WEGWRUFTQFJEQX-QGZVFWFLSA-N 2 0 323.525 2.687 20 0 DFADRP CN(Cc1ccc(Br)cn1)C[C@H]1CCC[N@H+](C)C1 ZINC000172582914 145308070 /nfs/dbraw/zinc/30/80/70/145308070.db2.gz IWEIRPUPGVHOHZ-LBPRGKRZSA-N 2 0 312.255 2.618 20 0 DFADRP [NH3+]CCC[NH2+]C1CCN(Cc2cccc(C(F)(F)F)c2)CC1 ZINC000415106696 543328882 /nfs/dbraw/zinc/32/88/82/543328882.db2.gz NDRJNAVHGGNQJR-UHFFFAOYSA-N 2 0 315.383 2.608 20 0 DFADRP C[C@@H](C(=O)N[C@@H]1CC[NH+](CC2CCCC2)C1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000174721219 145388629 /nfs/dbraw/zinc/38/86/29/145388629.db2.gz OAWMSBUWOXVCNZ-UIBIWLFHSA-N 2 0 321.509 2.628 20 0 DFADRP C[NH+]1CCN(c2cc[nH+]c(NCc3ccccc3F)c2)CC1 ZINC000630960554 399954017 /nfs/dbraw/zinc/95/40/17/399954017.db2.gz VXCCRAUYSSJMOL-UHFFFAOYSA-N 2 0 300.381 2.585 20 0 DFADRP C[NH+]1CCN(c2cc[nH+]c(NCc3cccc4cc[nH]c43)c2)CC1 ZINC000630960859 399954034 /nfs/dbraw/zinc/95/40/34/399954034.db2.gz JIDDXVVNUYRVBW-UHFFFAOYSA-N 2 0 321.428 2.927 20 0 DFADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N1CCC(CC)([NH+]2CCCC2)CC1 ZINC000633953364 399964790 /nfs/dbraw/zinc/96/47/90/399964790.db2.gz GQMHMDSCDCDRHM-QGZVFWFLSA-N 2 0 321.509 2.728 20 0 DFADRP CCC[C@@H](C(=O)N1CCC(CC)([NH+]2CCCC2)CC1)[NH+](C)C ZINC000633954633 399965366 /nfs/dbraw/zinc/96/53/66/399965366.db2.gz VSSBCSDIOHJEOI-INIZCTEOSA-N 2 0 309.498 2.584 20 0 DFADRP COc1ccccc1N1CCC([NH2+]CCC[N@H+](C)C(C)C)CC1 ZINC000631038875 399966909 /nfs/dbraw/zinc/96/69/09/399966909.db2.gz AHYOHGHHDGARIN-UHFFFAOYSA-N 2 0 319.493 2.984 20 0 DFADRP CCN1CC[NH+](CCCC[NH2+]Cc2csc(C)c2C)CC1 ZINC000631040307 399967540 /nfs/dbraw/zinc/96/75/40/399967540.db2.gz BDHAIWAAEREDMV-UHFFFAOYSA-N 2 0 309.523 2.872 20 0 DFADRP CC[N@@H+]1CC[C@H](C[NH2+]C2CCN(c3ccccc3OC)CC2)C1 ZINC000631044823 399968428 /nfs/dbraw/zinc/96/84/28/399968428.db2.gz OJSAPXCVRIZRMK-MRXNPFEDSA-N 2 0 317.477 2.595 20 0 DFADRP CC[NH+]1CCN(C[C@H](C)C[NH2+]Cc2csc(C)c2C)CC1 ZINC000631063381 399972286 /nfs/dbraw/zinc/97/22/86/399972286.db2.gz JZOVABIWGRHKRK-CQSZACIVSA-N 2 0 309.523 2.728 20 0 DFADRP C[C@H](C[NH2+]Cc1oc2ccccc2c1Cl)N1CC[NH+](C)CC1 ZINC000631063289 399972625 /nfs/dbraw/zinc/97/26/25/399972625.db2.gz AKHZMJDMPBZJJV-CYBMUJFWSA-N 2 0 321.852 2.812 20 0 DFADRP C[C@@H](C[NH2+]Cc1oc2ccccc2c1Cl)N1CC[NH+](C)CC1 ZINC000631063290 399972650 /nfs/dbraw/zinc/97/26/50/399972650.db2.gz AKHZMJDMPBZJJV-ZDUSSCGKSA-N 2 0 321.852 2.812 20 0 DFADRP C[C@H](CN1CC[NH+](C)CC1)[NH2+]Cc1ccc(F)c2ccccc12 ZINC000631066815 399972942 /nfs/dbraw/zinc/97/29/42/399972942.db2.gz AXZHXCGDVHQPMV-OAHLLOKOSA-N 2 0 315.436 2.704 20 0 DFADRP Cc1cc(C)c(/C=C\C[NH2+][C@H](C)CN2CC[NH+](C)CC2)c(C)c1 ZINC000631067491 399973307 /nfs/dbraw/zinc/97/33/07/399973307.db2.gz NELBHNJUHCGIQF-LIXSYLKWSA-N 2 0 315.505 2.851 20 0 DFADRP Cc1cc(C)c(/C=C/C[NH2+][C@H](C)CN2CC[NH+](C)CC2)cc1C ZINC000631067229 399973632 /nfs/dbraw/zinc/97/36/32/399973632.db2.gz INKOQDOWNPWSQN-OVKVCFKUSA-N 2 0 315.505 2.851 20 0 DFADRP CC(C)CC[NH+]1CCC(C[NH2+]Cc2ncnn2C(C)C)CC1 ZINC000631086594 399978167 /nfs/dbraw/zinc/97/81/67/399978167.db2.gz YUPKROLKFWAIIF-UHFFFAOYSA-N 2 0 307.486 2.707 20 0 DFADRP CC[C@@H]1[C@@H](C(=O)NC[C@@H](c2ccco2)[NH+](CC)CC)CC[N@@H+]1C ZINC000630838639 399937010 /nfs/dbraw/zinc/93/70/10/399937010.db2.gz BHBOYFYMKCPCKB-XHSDSOJGSA-N 2 0 321.465 2.509 20 0 DFADRP COc1cc(F)cc(OC)c1C[NH2+]C1CCC([NH+](C)C)CC1 ZINC000631162174 399993189 /nfs/dbraw/zinc/99/31/89/399993189.db2.gz YRFAIXYJHDDXGB-UHFFFAOYSA-N 2 0 310.413 2.805 20 0 DFADRP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)Cc2ccc3[nH]ccc3c2)CC1 ZINC000628165394 399994801 /nfs/dbraw/zinc/99/48/01/399994801.db2.gz WTBKUJOPCQFRBH-OAHLLOKOSA-N 2 0 315.461 2.693 20 0 DFADRP COCC[N@H+](C)CCCC1CC[NH+](Cc2cnc(C)o2)CC1 ZINC000628186445 399998232 /nfs/dbraw/zinc/99/82/32/399998232.db2.gz KYUJCLSUGSAZMP-UHFFFAOYSA-N 2 0 309.454 2.553 20 0 DFADRP Cc1ccc([C@@H](C)C[NH2+]C[C@H](C(C)C)N2CC[NH+](C)CC2)cc1 ZINC000628201506 400000533 /nfs/dbraw/zinc/00/05/33/400000533.db2.gz IJUJVLRJGKFNEZ-AZUAARDMSA-N 2 0 317.521 2.960 20 0 DFADRP Cc1n[nH]c(C)c1C[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000631195836 400001424 /nfs/dbraw/zinc/00/14/24/400001424.db2.gz KNTHPZZGIUXPFM-KSSFIOAISA-N 2 0 312.461 2.884 20 0 DFADRP C[C@@H]1C[N@@H+](CCCC[NH2+]Cc2cnc(C3CC3)o2)C[C@H](C)O1 ZINC000628218304 400003359 /nfs/dbraw/zinc/00/33/59/400003359.db2.gz ARLUJFGZCHXRDY-OKILXGFUSA-N 2 0 307.438 2.531 20 0 DFADRP CC[NH+]1CCN(CCC[NH2+]C[C@@H](C)c2ccc(C)cc2)CC1 ZINC000628232790 400005170 /nfs/dbraw/zinc/00/51/70/400005170.db2.gz NTDRRUUTGIDRKJ-GOSISDBHSA-N 2 0 303.494 2.716 20 0 DFADRP C[C@@]1(C[NH2+]Cc2ccc(C[N@@H+]3CC[C@@H](O)C3)cc2)CCCS1 ZINC000628337989 400022493 /nfs/dbraw/zinc/02/24/93/400022493.db2.gz XABIZXJDNGBUBL-MSOLQXFVSA-N 2 0 320.502 2.629 20 0 DFADRP C[N@H+](Cc1ccc(OCC[NH+]2CCCC2)cc1)CC1(C)COC1 ZINC000628423250 400031168 /nfs/dbraw/zinc/03/11/68/400031168.db2.gz KFADUIFLSALXIQ-UHFFFAOYSA-N 2 0 318.461 2.630 20 0 DFADRP CCC[C@H]([NH2+]C[C@H](C)N1CC[NH+](CC)CC1)c1cc(C)ccn1 ZINC000631569185 400052435 /nfs/dbraw/zinc/05/24/35/400052435.db2.gz KAVRDDHIUYTKNL-ROUUACIJSA-N 2 0 318.509 2.847 20 0 DFADRP CC[NH+](CC)Cc1ccc(C(=O)NC[C@@H]2CCCC[N@H+](C)C2)o1 ZINC000628756585 400053969 /nfs/dbraw/zinc/05/39/69/400053969.db2.gz UTJOEFOCCYJBKK-HNNXBMFYSA-N 2 0 321.465 2.583 20 0 DFADRP CCC[C@H]([NH2+]CCN1CCC([NH+](C)C)CC1)c1cc(C)ccn1 ZINC000631584016 400054747 /nfs/dbraw/zinc/05/47/47/400054747.db2.gz AVTDSNFEXCDBOM-SFHVURJKSA-N 2 0 318.509 2.847 20 0 DFADRP C[C@H]([NH2+]C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C)c1cnn(C)c1 ZINC000631668192 400064351 /nfs/dbraw/zinc/06/43/51/400064351.db2.gz WBQILNCIORDPIS-BQFCYCMXSA-N 2 0 312.461 2.839 20 0 DFADRP C[C@H]([NH2+]CC[C@H](O)C(F)F)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000631698605 400068200 /nfs/dbraw/zinc/06/82/00/400068200.db2.gz GIANFYIAUHXJHK-IMJJTQAJSA-N 2 0 312.404 2.503 20 0 DFADRP COc1cccc(-c2nc(C[NH+]3CCC([C@@H](C)[NH3+])CC3)co2)c1 ZINC000631821314 400077594 /nfs/dbraw/zinc/07/75/94/400077594.db2.gz VGCAVIYJTFKANW-CYBMUJFWSA-N 2 0 315.417 2.909 20 0 DFADRP C[NH2+]CC1CC[NH+](Cc2coc(-c3cccc(OC)c3)n2)CC1 ZINC000631821902 400077630 /nfs/dbraw/zinc/07/76/30/400077630.db2.gz MLHGBEUWKXIQHD-UHFFFAOYSA-N 2 0 315.417 2.782 20 0 DFADRP c1cc(C[N@@H+]2CCC[C@H]([C@H]3CCC[NH2+]3)C2)c2c(c1)COCC2 ZINC000631822752 400077716 /nfs/dbraw/zinc/07/77/16/400077716.db2.gz NDCRQMIYYGSIQC-QFBILLFUSA-N 2 0 300.446 2.723 20 0 DFADRP c1cc(C[N@@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)c2c(c1)COCC2 ZINC000631822750 400077796 /nfs/dbraw/zinc/07/77/96/400077796.db2.gz NDCRQMIYYGSIQC-APWZRJJASA-N 2 0 300.446 2.723 20 0 DFADRP c1cc(C[N@@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)c2c(c1)COCC2 ZINC000631826756 400077877 /nfs/dbraw/zinc/07/78/77/400077877.db2.gz WIXRONUJVALTAD-IRXDYDNUSA-N 2 0 314.473 2.971 20 0 DFADRP c1cc(C[NH+]2CCC([C@@H]3CC[NH2+]C3)CC2)c2c(c1)COCC2 ZINC000631826513 400078037 /nfs/dbraw/zinc/07/80/37/400078037.db2.gz PLBFJQXIBKIBQY-MRXNPFEDSA-N 2 0 300.446 2.581 20 0 DFADRP c1cc(C[N@@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)c2c(c1)COCC2 ZINC000631829670 400078113 /nfs/dbraw/zinc/07/81/13/400078113.db2.gz XBWQICNFIJBBLS-QGZVFWFLSA-N 2 0 314.473 2.971 20 0 DFADRP Cc1cc(C)c(C[N@@H+]2CCCC[C@@H]2[C@@H]2C[C@@H]([NH3+])CCO2)c(C)n1 ZINC000631829548 400078146 /nfs/dbraw/zinc/07/81/46/400078146.db2.gz TZSKAVRKZVGOIJ-UHOSZYNNSA-N 2 0 317.477 2.868 20 0 DFADRP O[C@H](CC1CCCC1)C[NH+]1CCC(OCC[NH+]2CCCC2)CC1 ZINC000190619497 145859927 /nfs/dbraw/zinc/85/99/27/145859927.db2.gz OMUPEVFDCRIWBM-GOSISDBHSA-N 2 0 324.509 2.504 20 0 DFADRP CC1(C[NH2+]Cc2ccccc2C[N@@H+]2CCC[C@H]2CO)CCC1 ZINC000434753122 543349160 /nfs/dbraw/zinc/34/91/60/543349160.db2.gz DRAHLQHRCKLAFO-SFHVURJKSA-N 2 0 302.462 2.923 20 0 DFADRP C[C@@H]([NH2+]CCOCC[NH+](C)C)c1ccccc1OC(F)F ZINC000219317539 146000445 /nfs/dbraw/zinc/00/04/45/146000445.db2.gz KRFFZJGYSBHKOH-GFCCVEGCSA-N 2 0 302.365 2.517 20 0 DFADRP C[NH+]1CCC(C)(C[NH2+]Cc2cncc(Br)c2)CC1 ZINC000231775315 146017020 /nfs/dbraw/zinc/01/70/20/146017020.db2.gz ODNAMNYMGUGPJA-UHFFFAOYSA-N 2 0 312.255 2.666 20 0 DFADRP COC[C@H](CCC[NH3+])[NH2+][C@H](C)c1ccccc1Br ZINC000234697465 146017832 /nfs/dbraw/zinc/01/78/32/146017832.db2.gz WZIWVDPYRHCEKZ-NEPJUHHUSA-N 2 0 315.255 2.854 20 0 DFADRP COC(=O)C1CCC([NH2+]Cc2ccc(C[NH+](C)C)cc2)CC1 ZINC000237119794 146037655 /nfs/dbraw/zinc/03/76/55/146037655.db2.gz LVPYBBFRARSFBW-UHFFFAOYSA-N 2 0 304.434 2.570 20 0 DFADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)[C@@H]([NH3+])c2ccccc2)C1 ZINC000237508690 146045595 /nfs/dbraw/zinc/04/55/95/146045595.db2.gz OSZFXPFTWMAZGX-JZXOWHBKSA-N 2 0 317.477 2.561 20 0 DFADRP [NH3+]CCCCCCC(=O)N1CCC[C@H]([NH+]2CCCCCC2)C1 ZINC000237973363 146055948 /nfs/dbraw/zinc/05/59/48/146055948.db2.gz NWCOPYZBKBSXKM-KRWDZBQOSA-N 2 0 309.498 2.763 20 0 DFADRP CC[N@@H+]1CC[C@@H]([NH+](C)CCC(=O)Nc2ccccc2)[C@@H](C)C1 ZINC000245431062 146070805 /nfs/dbraw/zinc/07/08/05/146070805.db2.gz NWKXCALNYZPIGD-DOTOQJQBSA-N 2 0 303.450 2.677 20 0 DFADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]C[C@H]1CCN(C)c2ccccc21 ZINC000245657587 146091002 /nfs/dbraw/zinc/09/10/02/146091002.db2.gz FXXKUNFKFZSSHF-KONPQCLYSA-N 2 0 301.478 2.928 20 0 DFADRP CCC[C@H](O)C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000245710388 146096426 /nfs/dbraw/zinc/09/64/26/146096426.db2.gz NDHVIYILBLJWHH-OKYOBFRVSA-N 2 0 302.462 2.933 20 0 DFADRP C[C@H](O)C[NH+]1CCC(C[N@H+](C)Cc2ccc([C@H]3C[C@H]3C)o2)CC1 ZINC000245745788 146099317 /nfs/dbraw/zinc/09/93/17/146099317.db2.gz MRYSHNDXXNEZOT-VKJFTORMSA-N 2 0 320.477 2.928 20 0 DFADRP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccc(OCCOC)cc2)[C@@H](C)C1 ZINC000245772308 146101572 /nfs/dbraw/zinc/10/15/72/146101572.db2.gz SBLSNKRZWMVNRD-QFBILLFUSA-N 2 0 320.477 2.874 20 0 DFADRP CC[N@@H+]1CC[C@H](N(C)Cc2cn3cc(C)ccc3n2)[C@@H](C)C1 ZINC000246213725 146131495 /nfs/dbraw/zinc/13/14/95/146131495.db2.gz YVVHKXMZUDOLFD-RDJZCZTQSA-N 2 0 300.450 2.805 20 0 DFADRP C[C@H]([NH2+][C@H]1CCC[C@@H]([NH+](C)C)C1)c1ccc2c(c1)OCCO2 ZINC000247008180 146159000 /nfs/dbraw/zinc/15/90/00/146159000.db2.gz KFNFUPAEOBEQKG-CWRNSKLLSA-N 2 0 304.434 2.981 20 0 DFADRP FC(F)COCC[NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]12 ZINC000249032363 146182832 /nfs/dbraw/zinc/18/28/32/146182832.db2.gz LTLXIWDBRLAGHY-IXDOHACOSA-N 2 0 324.415 2.768 20 0 DFADRP CO[C@H](C)C[NH2+][C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000249091640 146187603 /nfs/dbraw/zinc/18/76/03/146187603.db2.gz NMUYFVYVFBWATI-QXCFHYIPSA-N 2 0 302.462 2.912 20 0 DFADRP CC[N@@H+]1CC[C@H](NC[C@H]2CC[NH+](Cc3ccccc3)C2)[C@H](C)C1 ZINC000249163070 146190036 /nfs/dbraw/zinc/19/00/36/146190036.db2.gz ZNQLFWZCYAKVGK-RLLQIKCJSA-N 2 0 315.505 2.828 20 0 DFADRP C[C@@H]1C[C@H](C[N@H+](C)[C@H]2CCN(Cc3ccccc3)C2)CC[NH2+]1 ZINC000261539620 146237772 /nfs/dbraw/zinc/23/77/72/146237772.db2.gz CWBACPSREQQLAT-QRQLOZEOSA-N 2 0 301.478 2.581 20 0 DFADRP C[C@H](N[C@@H]1CCC[C@H]([NH3+])C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000261532490 146237978 /nfs/dbraw/zinc/23/79/78/146237978.db2.gz AJILRXROTUFREI-WZGPROSRSA-N 2 0 301.478 2.757 20 0 DFADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]C1CCN(Cc2ccccc2)CC1 ZINC000261557845 146240891 /nfs/dbraw/zinc/24/08/91/146240891.db2.gz XRWHKRCEIVSMBU-HKUYNNGSSA-N 2 0 301.478 2.758 20 0 DFADRP C[C@@]1(C[NH3+])CCN([C@H]2CCCN(c3ccccc3Cl)C2=O)C1 ZINC000261608984 146245406 /nfs/dbraw/zinc/24/54/06/146245406.db2.gz BQFVKVLXMJMSJG-RDJZCZTQSA-N 2 0 321.852 2.506 20 0 DFADRP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ccnn3-c3ccc(F)cc3)C[C@H]21 ZINC000261644302 146252242 /nfs/dbraw/zinc/25/22/42/146252242.db2.gz AMPCTJWVFBRSSZ-FSPWUOQZSA-N 2 0 314.408 2.571 20 0 DFADRP c1ccc(-c2ccc(C[NH+]3CCN([C@H]4CC[NH2+]C4)CC3)cc2)cc1 ZINC000261665693 146256783 /nfs/dbraw/zinc/25/67/83/146256783.db2.gz LCYGTQBWPHIAOA-NRFANRHFSA-N 2 0 321.468 2.833 20 0 DFADRP CCCN(Cc1nc(-c2ccc(F)cc2)no1)C1CC[NH2+]CC1 ZINC000261666253 146256851 /nfs/dbraw/zinc/25/68/51/146256851.db2.gz GQUWQQWVCDZXJV-UHFFFAOYSA-N 2 0 318.396 2.840 20 0 DFADRP CC(C)(C)[C@H](NC(=O)CN1CC[C@](C)(C[NH3+])C1)c1cccs1 ZINC000261698934 146261872 /nfs/dbraw/zinc/26/18/72/146261872.db2.gz HZMKVRQWMXOXNU-NVXWUHKLSA-N 2 0 323.506 2.622 20 0 DFADRP C[C@@H]1C[C@H](N(C)C[C@]2(C)CC[NH2+]C2)CC[N@@H+]1Cc1ccccc1 ZINC000261714580 146264048 /nfs/dbraw/zinc/26/40/48/146264048.db2.gz FARWGQQMIYJBGI-MISYRCLQSA-N 3 0 315.505 2.971 20 0 DFADRP [NH3+][C@H]1CCCCCC[C@H]1C(=O)Nc1ccc2c(c1F)CC[NH2+]C2 ZINC000261738280 146268128 /nfs/dbraw/zinc/26/81/28/146268128.db2.gz NQSAUFXYDKTMIZ-CABCVRRESA-N 2 0 319.424 2.708 20 0 DFADRP C[C@H](C(=O)N(CC[NH+](C)C)C1CCCC1)[C@@H]([NH3+])c1ccccc1 ZINC000261754769 146270346 /nfs/dbraw/zinc/27/03/46/146270346.db2.gz PJQZZAPSAGGRLG-MAUKXSAKSA-N 2 0 317.477 2.655 20 0 DFADRP CCN(C)c1ccc(C[N@@H+]2C[C@@H](C[NH3+])[C@H](c3ccccc3)C2)cn1 ZINC000261770322 146272845 /nfs/dbraw/zinc/27/28/45/146272845.db2.gz DPVGYSDUUOAOIA-MOPGFXCFSA-N 2 0 324.472 2.712 20 0 DFADRP CCn1nc(C)c(C[N@@H+]2C[C@@H](C[NH3+])[C@H](c3ccccc3)C2)c1C ZINC000261789840 146277794 /nfs/dbraw/zinc/27/77/94/146277794.db2.gz UXAJDWILLOAUBW-MJGOQNOKSA-N 2 0 312.461 2.694 20 0 DFADRP Cc1ccc(C[NH+]2CCC([C@@H](C)[NH3+])CC2)c(-c2cnn(C)c2)c1 ZINC000261792347 146277955 /nfs/dbraw/zinc/27/79/55/146277955.db2.gz GHSMINRSZLJRDN-OAHLLOKOSA-N 2 0 312.461 2.955 20 0 DFADRP [NH3+]CC[C@H]1CCC[N@H+](Cc2nc(-c3ccc(Cl)cc3)no2)C1 ZINC000261819791 146282430 /nfs/dbraw/zinc/28/24/30/146282430.db2.gz AQPSXYUFJBGJSP-GFCCVEGCSA-N 2 0 320.824 2.951 20 0 DFADRP COc1ccc(C[N@@H+]2CCC[C@H]([C@H](C)[NH3+])C2)cc1OC(F)F ZINC000261844140 146287473 /nfs/dbraw/zinc/28/74/73/146287473.db2.gz CWNRHNDGLXHAMQ-AAEUAGOBSA-N 2 0 314.376 2.856 20 0 DFADRP C[C@]1(C[NH3+])CC[N@H+](CCOc2ccccc2C(F)(F)F)C1 ZINC000261867206 146291835 /nfs/dbraw/zinc/29/18/35/146291835.db2.gz SQVXKNCRACXLTB-CQSZACIVSA-N 2 0 302.340 2.755 20 0 DFADRP C[C@H]([NH3+])CC(=O)Nc1cccc(CC[NH+]2CCC(C)CC2)c1 ZINC000261877708 146293563 /nfs/dbraw/zinc/29/35/63/146293563.db2.gz SNELBHUFSPGZMB-HNNXBMFYSA-N 2 0 303.450 2.637 20 0 DFADRP COc1ccc([C@@H]2CCC[N@@H+]2C[C@@]2(C)CC[NH2+]C2)cc1OC ZINC000261893625 146296253 /nfs/dbraw/zinc/29/62/53/146296253.db2.gz UMNQNOBUWZBHCC-YJBOKZPZSA-N 2 0 304.434 2.840 20 0 DFADRP C[C@]1(C[N@@H+]2CCCN(Cc3ccc(Cl)cc3)CC2)CC[NH2+]C1 ZINC000261907095 146299082 /nfs/dbraw/zinc/29/90/82/146299082.db2.gz XIQCZTUNWCDCFO-SFHVURJKSA-N 2 0 321.896 2.847 20 0 DFADRP c1cc(C[NH+]2CCC([C@@H]3CCC[NH2+]3)CC2)n(-c2ccccc2)n1 ZINC000261920598 146301182 /nfs/dbraw/zinc/30/11/82/146301182.db2.gz KLZDRKJABZOVKU-IBGZPJMESA-N 2 0 310.445 2.836 20 0 DFADRP Cc1nc2ccccc2n1C[C@H]1CCC[N@@H+]1C[C@H]1CCC[NH2+]C1 ZINC000261929631 146304476 /nfs/dbraw/zinc/30/44/76/146304476.db2.gz LKJRHZVGGIBABO-DLBZAZTESA-N 3 0 312.461 2.809 20 0 DFADRP [NH3+][C@@H]1CCC[C@H]2CN(Cc3nc4ccc(F)cc4s3)C[C@H]21 ZINC000261952951 146308398 /nfs/dbraw/zinc/30/83/98/146308398.db2.gz OEJHMGSSAFOABE-CYZMBNFOSA-N 2 0 305.422 2.995 20 0 DFADRP CCN(C(=O)[C@H](C)[NH+]1CCC(CC[NH2+]C)CC1)c1ccccc1 ZINC000261965088 146311712 /nfs/dbraw/zinc/31/17/12/146311712.db2.gz ASBBOZPMDYDABW-INIZCTEOSA-N 2 0 317.477 2.750 20 0 DFADRP Cc1ccc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)c(-c2ccnn2C)c1 ZINC000261981121 146315343 /nfs/dbraw/zinc/31/53/43/146315343.db2.gz RIUCLQVAXSDWOA-SNRMKQJTSA-N 2 0 324.472 2.955 20 0 DFADRP CCOc1cc(CN2CC[C@H](C[NH2+]C)C2)ccc1OC(F)F ZINC000262009014 146320471 /nfs/dbraw/zinc/32/04/71/146320471.db2.gz WDAQXPXDYKLXMA-CYBMUJFWSA-N 2 0 314.376 2.728 20 0 DFADRP Cn1cc(-c2ccc(C[N@@H+]3CCC[C@@H](CC[NH3+])C3)s2)cn1 ZINC000262007890 146320842 /nfs/dbraw/zinc/32/08/42/146320842.db2.gz UUINDGRBFXHFIG-ZDUSSCGKSA-N 2 0 304.463 2.709 20 0 DFADRP C[NH2+]CCC1CC[NH+]([C@H](C)C(=O)Nc2c(C)cccc2C)CC1 ZINC000262003792 146321490 /nfs/dbraw/zinc/32/14/90/146321490.db2.gz QQEYRICNQZLRBM-MRXNPFEDSA-N 2 0 317.477 2.952 20 0 DFADRP CC(C)c1ccc(NC(=O)C[N@@H+]2CCC[C@H](CC[NH3+])C2)cc1 ZINC000262031551 146325258 /nfs/dbraw/zinc/32/52/58/146325258.db2.gz YWOZLIYMGUVDKQ-OAHLLOKOSA-N 2 0 303.450 2.809 20 0 DFADRP Cc1ccc(-c2n[nH]cc2C[N@@H+]2CCC3(C2)CC[NH2+]CC3)o1 ZINC000262133111 146337050 /nfs/dbraw/zinc/33/70/50/146337050.db2.gz YIOXLODWMYEVSU-UHFFFAOYSA-N 2 0 300.406 2.554 20 0 DFADRP C[NH2+]CC1CC[NH+](Cc2ccc(OC[C@H]3CCCO3)cc2)CC1 ZINC000262148799 146339255 /nfs/dbraw/zinc/33/92/55/146339255.db2.gz QTYFPSICGSZAGU-LJQANCHMSA-N 2 0 318.461 2.676 20 0 DFADRP O[C@@H]1C[NH2+]C[C@@H]1C[NH2+]Cc1ccc(-c2ccccc2Cl)s1 ZINC000262161725 146339915 /nfs/dbraw/zinc/33/99/15/146339915.db2.gz STKFJSRHWCQCTH-XHDPSFHLSA-N 2 0 322.861 2.738 20 0 DFADRP COCc1cccc(OCC2(C[N@@H+]3CC[C@H](C[NH3+])C3)CCC2)c1 ZINC000262191809 146342069 /nfs/dbraw/zinc/34/20/69/146342069.db2.gz YTFUNWWSDHIPNU-QGZVFWFLSA-N 2 0 318.461 2.663 20 0 DFADRP CC(C)c1cccc(NC(=O)CN(C)[C@@H]2CCC[NH2+]CC2)c1 ZINC000262578601 146373755 /nfs/dbraw/zinc/37/37/55/146373755.db2.gz YPUFRUBDOBKAOM-QGZVFWFLSA-N 2 0 303.450 2.822 20 0 DFADRP CCC[C@](C)([NH3+])C(=O)NC1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000262707272 146384297 /nfs/dbraw/zinc/38/42/97/146384297.db2.gz NGTBLBNNKVYGAA-KXBFYZLASA-N 2 0 317.477 2.846 20 0 DFADRP C[C@H]([NH2+]C(C)(C)CNC(=O)c1coc(C[NH3+])c1)c1ccccc1 ZINC000262793390 146388514 /nfs/dbraw/zinc/38/85/14/146388514.db2.gz OZYSYNCAEBUYDI-ZDUSSCGKSA-N 2 0 315.417 2.598 20 0 DFADRP C[C@@H](NC(=O)[C@H](C)[NH+]1CCC(C[NH+](C)C)CC1)c1ccccc1 ZINC000354406110 147024762 /nfs/dbraw/zinc/02/47/62/147024762.db2.gz KZZSVTLSOUNISX-CVEARBPZSA-N 2 0 317.477 2.526 20 0 DFADRP Cc1ccc(C)c(NC(=O)[C@@H](C)[NH+]2CCC(C[NH+](C)C)CC2)c1 ZINC000354491886 147058332 /nfs/dbraw/zinc/05/83/32/147058332.db2.gz IHSZSAPFJOPJFR-MRXNPFEDSA-N 2 0 317.477 2.904 20 0 DFADRP CCC[C@H]([NH2+]C(C)C)C(=O)N(CC[NH+](C)C)Cc1ccc(C)o1 ZINC000354806144 147158099 /nfs/dbraw/zinc/15/80/99/147158099.db2.gz ZWVIRTVKSGSGIA-KRWDZBQOSA-N 2 0 323.481 2.645 20 0 DFADRP CC(C)CC[NH+]1CCC(CNC(=O)[C@@H]2CC[N@H+](C)[C@H](C)C2)CC1 ZINC000354834002 147169629 /nfs/dbraw/zinc/16/96/29/147169629.db2.gz RRRZHLFZHQZTMR-SJLPKXTDSA-N 2 0 323.525 2.591 20 0 DFADRP CC(C)CC[NH+]1CCC(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC000354833993 147169726 /nfs/dbraw/zinc/16/97/26/147169726.db2.gz RRRZHLFZHQZTMR-FUHWJXTLSA-N 2 0 323.525 2.591 20 0 DFADRP CCN(CCC[NH+]1CCC(C[NH+](C)C)CC1)CC(F)(F)F ZINC000354860321 147180145 /nfs/dbraw/zinc/18/01/45/147180145.db2.gz PRWYQFRDGUBJBQ-UHFFFAOYSA-N 2 0 309.420 2.534 20 0 DFADRP Cc1ccnc(C[N@H+](C)CC2CCN(c3cc[nH+]cc3)CC2)n1 ZINC000354863633 147182040 /nfs/dbraw/zinc/18/20/40/147182040.db2.gz SWUHMUQZOZTJRZ-UHFFFAOYSA-N 2 0 311.433 2.528 20 0 DFADRP C[N@H+](CC1CCN(c2cc[nH+]cc2)CC1)CC1(O)CCCC1 ZINC000354892983 147190940 /nfs/dbraw/zinc/19/09/40/147190940.db2.gz IAKXFWPNXXGILH-UHFFFAOYSA-N 2 0 303.450 2.535 20 0 DFADRP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCCN2Cc1ccc(F)c(F)c1 ZINC000355229041 147231378 /nfs/dbraw/zinc/23/13/78/147231378.db2.gz YARKZCIIMQWSNW-COXVUDFISA-N 2 0 310.388 2.648 20 0 DFADRP CC[NH+](CC)CCN(CC(C)C)C(=O)C[NH+]1[C@H](C)CC[C@H]1C ZINC000355408921 147303065 /nfs/dbraw/zinc/30/30/65/147303065.db2.gz LARGOHQDHVAGMC-IAGOWNOFSA-N 2 0 311.514 2.686 20 0 DFADRP CC[NH+](CC)CCN(CC(C)C)C(=O)C[N@H+]1[C@H](C)CC[C@@H]1C ZINC000355408920 147303977 /nfs/dbraw/zinc/30/39/77/147303977.db2.gz LARGOHQDHVAGMC-CALCHBBNSA-N 2 0 311.514 2.686 20 0 DFADRP C[S@@](=O)c1ccc(CNC2CC([NH+]3CCCCC3)C2)cc1 ZINC000355597877 147378608 /nfs/dbraw/zinc/37/86/08/147378608.db2.gz FQBZPFACEKRRCW-CPAJTMIGSA-N 2 0 306.475 2.531 20 0 DFADRP Cc1cc(C[NH2+]CC2(O)CC[NH+](C(C)C)CC2)ccc1Cl ZINC000355678479 147408690 /nfs/dbraw/zinc/40/86/90/147408690.db2.gz FBQPCRBMIQEMNM-UHFFFAOYSA-N 2 0 310.869 2.973 20 0 DFADRP CCN(C(=O)[C@H](C)[NH+]1CCC(C[NH+](C)C)CC1)C1CCCCC1 ZINC000356604052 147751747 /nfs/dbraw/zinc/75/17/47/147751747.db2.gz LHPKQCBWIGFSDG-INIZCTEOSA-N 2 0 323.525 2.830 20 0 DFADRP CN(C)c1ncc(C[NH+]2CCC(C[NH+]3CCCC3)CC2)s1 ZINC000350146887 286010932 /nfs/dbraw/zinc/01/09/32/286010932.db2.gz NNEAHKKMIDCHLM-UHFFFAOYSA-N 2 0 308.495 2.517 20 0 DFADRP C[C@H](O)C[N@H+](C)C1CC[NH+]([C@H]2CCCc3ccccc32)CC1 ZINC000357635821 148065423 /nfs/dbraw/zinc/06/54/23/148065423.db2.gz KCSSPJLOYWXYSE-KXBFYZLASA-N 2 0 302.462 2.841 20 0 DFADRP COc1cc2c(c(C[NH+]3CCC(C[NH+](C)C)CC3)c1)O[C@@H](C)C2 ZINC000350149889 286011290 /nfs/dbraw/zinc/01/12/90/286011290.db2.gz VNONNEZWKZEOMW-AWEZNQCLSA-N 2 0 318.461 2.792 20 0 DFADRP c1cc(N2CCC(C[NH2+][C@@H]3CC[N@@H+]4CCC[C@H]4C3)CC2)cc[nH+]1 ZINC000357846173 148146080 /nfs/dbraw/zinc/14/60/80/148146080.db2.gz CIFIIIGWDDLLCC-MJGOQNOKSA-N 3 0 314.477 2.514 20 0 DFADRP CCO[C@H]1C[C@@H]([NH2+]CC(C)(C)C[NH+]2CCCC2)C12CCOCC2 ZINC000357847660 148148062 /nfs/dbraw/zinc/14/80/62/148148062.db2.gz JNLBXJCVCWEVOI-SJORKVTESA-N 2 0 324.509 2.672 20 0 DFADRP CC(C)[C@@H]1C[C@@H](C[NH2+]Cc2cc(C3CC[NH2+]CC3)no2)CCO1 ZINC000425892864 296602928 /nfs/dbraw/zinc/60/29/28/296602928.db2.gz AVJDHKALXLPKKY-KSSFIOAISA-N 2 0 321.465 2.682 20 0 DFADRP COCC[C@@H]([NH2+]Cc1cc(C2CC[NH2+]CC2)no1)C(C)(C)C ZINC000425894458 296603184 /nfs/dbraw/zinc/60/31/84/296603184.db2.gz GTDCLECSHRLRER-MRXNPFEDSA-N 2 0 309.454 2.682 20 0 DFADRP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]CCCC(=O)Nc1ccc(Cl)cc1 ZINC000358013162 148212492 /nfs/dbraw/zinc/21/24/92/148212492.db2.gz JASNKDNSSPTCMH-CZUORRHYSA-N 2 0 323.868 2.989 20 0 DFADRP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]CCc1nc(-c2ccncc2)cs1 ZINC000358061533 148229181 /nfs/dbraw/zinc/22/91/81/148229181.db2.gz LZOWZWDPWWELNX-HIFRSBDPSA-N 2 0 316.474 2.677 20 0 DFADRP C[C@H]1C[N@H+](C)CC[C@@H]1[NH2+]CCc1cc(Cl)c2c(c1)OCCO2 ZINC000358080292 148236127 /nfs/dbraw/zinc/23/61/27/148236127.db2.gz GEEGWILKEZDABX-WFASDCNBSA-N 2 0 324.852 2.584 20 0 DFADRP c1c(C[NH2+][C@H]2C[C@@H]2Cc2ccccc2)onc1C1CC[NH2+]CC1 ZINC000425904476 296603743 /nfs/dbraw/zinc/60/37/43/296603743.db2.gz YSJFJCOLYNMNBY-WMZOPIPTSA-N 2 0 311.429 2.862 20 0 DFADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@H](C)[C@H]1CCC[NH+](C2CCC2)C1 ZINC000358103367 148243800 /nfs/dbraw/zinc/24/38/00/148243800.db2.gz KJWOVWUXCKOLKC-SOLBZPMBSA-N 2 0 321.509 2.630 20 0 DFADRP CC[NH+](CC)CCOCC[NH2+]Cc1ccc(F)c(Cl)c1 ZINC000350267036 286022938 /nfs/dbraw/zinc/02/29/38/286022938.db2.gz NQKXPXBZBOHOHN-UHFFFAOYSA-N 2 0 302.821 2.927 20 0 DFADRP C[C@H]([NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccc(-n2ccnn2)cc1 ZINC000358256481 148307576 /nfs/dbraw/zinc/30/75/76/148307576.db2.gz TVEHACTXJUJLBT-ZVZYQTTQSA-N 2 0 311.433 2.545 20 0 DFADRP CC(C)(C)[NH+]1CCC([NH2+][C@H](CO)Cc2ccc(F)cc2)CC1 ZINC000358262980 148308992 /nfs/dbraw/zinc/30/89/92/148308992.db2.gz GCVZOWYWABRWAK-KRWDZBQOSA-N 2 0 308.441 2.582 20 0 DFADRP CC[N@@H+]1CC[C@H]([NH2+]CC[C@H]2COc3ccccc3O2)[C@H](C)C1 ZINC000358280752 148317174 /nfs/dbraw/zinc/31/71/74/148317174.db2.gz BUFYIPAVSOGKAQ-PMPSAXMXSA-N 2 0 304.434 2.536 20 0 DFADRP Cc1ccc(NC(=O)[C@@H](C)[N@@H+]2CCC3(C2)CC[NH2+]CC3)cc1C ZINC000358521715 148382345 /nfs/dbraw/zinc/38/23/45/148382345.db2.gz YOQDHTMCHANGLI-MRXNPFEDSA-N 2 0 315.461 2.706 20 0 DFADRP O=C(C[N@@H+]1CCC2(C1)CC[NH2+]CC2)NCCCC1CCCCC1 ZINC000358520455 148382393 /nfs/dbraw/zinc/38/23/93/148382393.db2.gz UWJIVSJUZISSQN-UHFFFAOYSA-N 2 0 321.509 2.539 20 0 DFADRP Cc1n[nH]cc1C[N@@H+]1CCCC[C@@H]1[C@@H](C[NH3+])Cc1ccccc1 ZINC000350556396 286057972 /nfs/dbraw/zinc/05/79/72/286057972.db2.gz LXKNRFXLHOEYIU-IEBWSBKVSA-N 2 0 312.461 2.890 20 0 DFADRP Cc1n[nH]cc1C[N@@H+]1CCCC[C@H]1[C@H](C[NH3+])Cc1ccccc1 ZINC000350556395 286057981 /nfs/dbraw/zinc/05/79/81/286057981.db2.gz LXKNRFXLHOEYIU-HKUYNNGSSA-N 2 0 312.461 2.890 20 0 DFADRP C[NH+](C)CCC1CC[NH+](CCc2ccc3c(c2)OCCO3)CC1 ZINC000360002732 148807815 /nfs/dbraw/zinc/80/78/15/148807815.db2.gz GMMFTZVROQLEJC-UHFFFAOYSA-N 2 0 318.461 2.664 20 0 DFADRP C[C@@H]1CC(C)(C)CC[C@@H]1[NH2+]CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000360289779 148837200 /nfs/dbraw/zinc/83/72/00/148837200.db2.gz BIUAPEINPNNIIB-PBHICJAKSA-N 2 0 321.509 2.534 20 0 DFADRP c1cc(CCC[NH+]2CCC(C[NH+]3CCOCC3)CC2)cs1 ZINC000361020788 149010405 /nfs/dbraw/zinc/01/04/05/149010405.db2.gz QWIZUIICCFMEHS-UHFFFAOYSA-N 2 0 308.491 2.725 20 0 DFADRP Cc1cccn2c(C[NH2+]Cc3c4c(nn3C)CCCC4)cnc12 ZINC000361067993 149021821 /nfs/dbraw/zinc/02/18/21/149021821.db2.gz UGCJWFVLERJYNY-UHFFFAOYSA-N 2 0 309.417 2.545 20 0 DFADRP C[C@H]([NH2+][C@H]1CCN(C2CC2)C1)c1cccc(OCC[NH+](C)C)c1 ZINC000361075564 149022806 /nfs/dbraw/zinc/02/28/06/149022806.db2.gz HJKMDUJVOSWSLY-RDJZCZTQSA-N 3 0 317.477 2.514 20 0 DFADRP C[C@H](CCn1cccn1)[NH2+]C[C@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000361104732 149028708 /nfs/dbraw/zinc/02/87/08/149028708.db2.gz LAYVPGSXYKAWMA-BHIYHBOVSA-N 2 0 312.461 2.944 20 0 DFADRP C[C@H](CCn1cccn1)[NH2+]C[C@@H]1CC[N@H+](C)[C@H]1c1ccccc1 ZINC000361104733 149029251 /nfs/dbraw/zinc/02/92/51/149029251.db2.gz LAYVPGSXYKAWMA-NEWSRXKRSA-N 2 0 312.461 2.944 20 0 DFADRP COc1cccc(N2CCC([NH2+][C@H](C)CC[NH+](C)C)CC2)c1 ZINC000361247317 149064905 /nfs/dbraw/zinc/06/49/05/149064905.db2.gz YFXSMGQZJSPPQD-OAHLLOKOSA-N 2 0 305.466 2.594 20 0 DFADRP CC[NH+](CC)CCO[C@@H]1CC[N@@H+]([C@@H]2C[C@H]2c2ccccc2)C1 ZINC000361310527 149081756 /nfs/dbraw/zinc/08/17/56/149081756.db2.gz TUZLURCSAPJHPC-CEXWTWQISA-N 2 0 302.462 2.975 20 0 DFADRP CO[C@H](C[N@@H+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1)C1CCC1 ZINC000660449279 543527884 /nfs/dbraw/zinc/52/78/84/543527884.db2.gz UBXWCTLDZFCWKY-HSALFYBXSA-N 2 0 314.473 2.865 20 0 DFADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@]1(C)CCOC1 ZINC000361398396 149104410 /nfs/dbraw/zinc/10/44/10/149104410.db2.gz SZSGDEUAGUIOEZ-QRQLOZEOSA-N 2 0 302.462 2.913 20 0 DFADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CCC2CCOCC2)[C@H](C)C1 ZINC000361482888 149127237 /nfs/dbraw/zinc/12/72/37/149127237.db2.gz BOGIFNMWQSUXGW-SJLPKXTDSA-N 2 0 312.498 2.530 20 0 DFADRP CCN(C(=O)Nc1cc(C)c2nccn2c1)[C@H]1CC[N@H+](CC)C1 ZINC000667147441 543553514 /nfs/dbraw/zinc/55/35/14/543553514.db2.gz CDXYVCUDAIYGSH-HNNXBMFYSA-N 2 0 315.421 2.591 20 0 DFADRP C[C@H](C[NH+]1CCCCCC1)NC(=O)[C@H](C)[NH+]1[C@@H](C)CC[C@@H]1C ZINC000361838331 149234279 /nfs/dbraw/zinc/23/42/79/149234279.db2.gz SIBDEWJIUHUHBU-QZWWFDLISA-N 2 0 309.498 2.628 20 0 DFADRP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]CCNc1ncc(Cl)cc1Cl ZINC000361876597 149242853 /nfs/dbraw/zinc/24/28/53/149242853.db2.gz FSGVGMCQEUXAHH-ZWNOBZJWSA-N 2 0 317.264 2.730 20 0 DFADRP Cc1nc(C(C)C)sc1[C@@H](C)[NH2+]CC1(O)CC[NH+](C)CC1 ZINC000361889545 149247933 /nfs/dbraw/zinc/24/79/33/149247933.db2.gz BEQMBXOZISHBIG-GFCCVEGCSA-N 2 0 311.495 2.682 20 0 DFADRP C[NH+](C)[C@H]1CCC[C@H]([NH2+]C2CCN(Cc3ccccn3)CC2)C1 ZINC000361966630 149267837 /nfs/dbraw/zinc/26/78/37/149267837.db2.gz NPNMYKKNFXNQRL-HKUYNNGSSA-N 2 0 316.493 2.508 20 0 DFADRP COc1ccc(C[NH+]2CCC3(C[C@H]3C[N@H+](C)C3CC3)CC2)nc1 ZINC000361988587 149271818 /nfs/dbraw/zinc/27/18/18/149271818.db2.gz XCPZLFDMFGBDEI-HNNXBMFYSA-N 2 0 315.461 2.787 20 0 DFADRP OC[C@@H]1CCC[N@@H+]1CCCC[NH2+]Cc1cc2ccc(F)cc2[nH]1 ZINC000362924794 149398916 /nfs/dbraw/zinc/39/89/16/149398916.db2.gz ACFOFAOLPVVQCM-KRWDZBQOSA-N 2 0 319.424 2.634 20 0 DFADRP CC(C)[NH+]1CCN(CCC[N@@H+]2CCC[C@H]2c2ccc[nH]2)CC1 ZINC000351270184 286119458 /nfs/dbraw/zinc/11/94/58/286119458.db2.gz NMEXXDMCUPALIM-SFHVURJKSA-N 2 0 304.482 2.568 20 0 DFADRP [NH3+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccc(OCc4ccncc4)cc3)C[C@H]12 ZINC000351472900 286129010 /nfs/dbraw/zinc/12/90/10/286129010.db2.gz BSZYQOKCXGUDMX-YZGWKJHDSA-N 2 0 323.440 2.830 20 0 DFADRP CSc1ccc([C@@H](C)[NH2+]CCOCC[NH+](C)C)cc1F ZINC000351501099 286137135 /nfs/dbraw/zinc/13/71/35/286137135.db2.gz IHHBIKOOFHUOHD-GFCCVEGCSA-N 2 0 300.443 2.776 20 0 DFADRP Cc1nccn1CCC[NH+]1CCC2(C[C@@H]2C[N@@H+](C)C2CC2)CC1 ZINC000371330254 150025175 /nfs/dbraw/zinc/02/51/75/150025175.db2.gz SLXZTNFTSPEARA-QGZVFWFLSA-N 2 0 316.493 2.778 20 0 DFADRP CC(C)[NH+]1CCN(C2CC[NH+](Cc3ccsc3)CC2)CC1 ZINC000371332600 150025569 /nfs/dbraw/zinc/02/55/69/150025569.db2.gz ABASULUBZDBABN-UHFFFAOYSA-N 2 0 307.507 2.739 20 0 DFADRP Cc1cc(F)ccc1C[N@H+]1CC[C@@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000371335499 150025731 /nfs/dbraw/zinc/02/57/31/150025731.db2.gz KNKYQTOCAQOBDL-LJQANCHMSA-N 2 0 319.468 2.734 20 0 DFADRP C[C@H]([NH2+]CCN1CC[N@H+](C)C[C@H]1c1ccccc1)c1ccncc1 ZINC000371391932 150037488 /nfs/dbraw/zinc/03/74/88/150037488.db2.gz IEFRLZBDIULYLE-PXNSSMCTSA-N 2 0 324.472 2.721 20 0 DFADRP C[C@H](C[N@H+](C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1)c1ccccc1 ZINC000371425605 150044934 /nfs/dbraw/zinc/04/49/34/150044934.db2.gz TXHJRGJJUADSIC-YLJYHZDGSA-N 2 0 315.505 2.890 20 0 DFADRP Cc1cccc(C[N@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@H]32)c1C ZINC000371470423 150052345 /nfs/dbraw/zinc/05/23/45/150052345.db2.gz LIELCTHPYSIOKH-GUDVDZBRSA-N 2 0 302.462 2.987 20 0 DFADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1NC[C@@H]1CC[NH+](C)[C@@H]1c1ccccc1 ZINC000371517497 150059237 /nfs/dbraw/zinc/05/92/37/150059237.db2.gz FDRGTELHYOWOPG-OMZCVMJRSA-N 2 0 315.505 2.998 20 0 DFADRP CCN1CCC[C@H]([NH2+][C@H]2CCC(=O)Nc3ccc(F)cc32)C1 ZINC000371687877 150081518 /nfs/dbraw/zinc/08/15/18/150081518.db2.gz BBELZJYYIUMONR-ZFWWWQNUSA-N 2 0 305.397 2.673 20 0 DFADRP C[N@@H+](CC1=CCCOC1)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000371900537 150111339 /nfs/dbraw/zinc/11/13/39/150111339.db2.gz ZMDOFCNPEILAFH-UHFFFAOYSA-N 2 0 301.434 2.577 20 0 DFADRP CC[N@@H+]1CC[C@@H](C[NH2+]C2CCN(c3cccc(OC)c3)CC2)C1 ZINC000371974990 150119701 /nfs/dbraw/zinc/11/97/01/150119701.db2.gz RYUWUWXBBCOLDB-INIZCTEOSA-N 2 0 317.477 2.595 20 0 DFADRP C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@H]1[NH2+]CCc1cccc(F)c1 ZINC000371985125 150120653 /nfs/dbraw/zinc/12/06/53/150120653.db2.gz QRDKDVIXYRJIPM-AYOQOUSVSA-N 2 0 320.452 2.847 20 0 DFADRP CC[C@H](C(=O)Nc1cccc(-c2nc(C)c(C)[nH]2)c1)[NH+](C)C ZINC000371980297 150120660 /nfs/dbraw/zinc/12/06/60/150120660.db2.gz XJWPGOZVWBULPN-OAHLLOKOSA-N 2 0 300.406 2.972 20 0 DFADRP CCOC(C[N@@H+]1CC[C@H](CNc2cc(C)cc[nH+]2)C1)OCC ZINC000372044867 150129109 /nfs/dbraw/zinc/12/91/09/150129109.db2.gz YBYHOXVJTRBTRO-OAHLLOKOSA-N 2 0 307.438 2.523 20 0 DFADRP C[NH+](C)[C@@H]1CCC[N@H+](CCCOc2ccc3c(c2)OCO3)CC1 ZINC000372988590 150212363 /nfs/dbraw/zinc/21/23/63/150212363.db2.gz DLTYGWYAMXJFTP-OAHLLOKOSA-N 2 0 320.433 2.600 20 0 DFADRP Cc1cc([C@@H](C)[NH2+][C@H]2CCN(C3CC[NH+](C)CC3)C2)c(C)o1 ZINC000373173844 150241305 /nfs/dbraw/zinc/24/13/05/150241305.db2.gz RAVHHSBQTFCKSJ-ZBFHGGJFSA-N 2 0 305.466 2.716 20 0 DFADRP Cc1cccc2ncc(C[N@H+]3CCC[C@H](c4nccn4C)C3)n21 ZINC000373227486 150250458 /nfs/dbraw/zinc/25/04/58/150250458.db2.gz KAIPUSRCVDRHMQ-HNNXBMFYSA-N 2 0 309.417 2.756 20 0 DFADRP C[C@@H](CC[NH+]1CCN([C@H]2CCC[N@H+](C)C2)CC1)c1ccccc1 ZINC000373912655 150277232 /nfs/dbraw/zinc/27/72/32/150277232.db2.gz QMEKZUMRJYOCAL-ICSRJNTNSA-N 2 0 315.505 2.892 20 0 DFADRP OCCCC[N@@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000374065703 150301370 /nfs/dbraw/zinc/30/13/70/150301370.db2.gz MOLILFFXLLNSJM-LJQANCHMSA-N 2 0 302.462 2.747 20 0 DFADRP C[NH+]1CCC2(CCC[N@H+](C[C@@H](O)c3ccccc3F)C2)CC1 ZINC000374074465 150303212 /nfs/dbraw/zinc/30/32/12/150303212.db2.gz KTIJHJGNUHJCIG-QGZVFWFLSA-N 2 0 306.425 2.667 20 0 DFADRP C[C@H]1[C@H](c2ccccc2)C[C@@H]1[NH2+]CCN1CC[N@H+](C)C(C)(C)C1 ZINC000374232554 150327525 /nfs/dbraw/zinc/32/75/25/150327525.db2.gz VXNKVGJPZMWPNY-UHOSZYNNSA-N 2 0 315.505 2.794 20 0 DFADRP CCn1cc(C[NH+]2CCC3(C[C@@H]3C[N@H+](C)C3CC3)CC2)cn1 ZINC000374283007 150335476 /nfs/dbraw/zinc/33/54/76/150335476.db2.gz KPCZHQRCGMTQNB-MRXNPFEDSA-N 2 0 302.466 2.599 20 0 DFADRP CCCCOC(=O)CN1CCC[C@H](n2ccnc2C(C)C)C1 ZINC000374404331 150361273 /nfs/dbraw/zinc/36/12/73/150361273.db2.gz JSRIQEAQMWFBSZ-HNNXBMFYSA-N 2 0 307.438 2.987 20 0 DFADRP C[C@@H]1C[C@@H](CN[C@@H]2CC[N@H+](C)[C@H](C)C2)C[NH+]1Cc1ccccc1 ZINC000374526373 150372901 /nfs/dbraw/zinc/37/29/01/150372901.db2.gz HLYQEZASWQDCAL-IZBJGVDFSA-N 3 0 315.505 2.969 20 0 DFADRP c1ccc([C@H]([NH2+]C[C@H]2CN3CCCC[C@H]3CO2)C2CC2)cc1 ZINC000374972481 150377527 /nfs/dbraw/zinc/37/75/27/150377527.db2.gz LTKBXRTYJBSKNH-FHWLQOOXSA-N 2 0 300.446 2.981 20 0 DFADRP CCC[C@@H]([NH2+]C(C)C)C(=O)NCc1ccc(F)c(C[NH+](C)C)c1 ZINC000352044812 286278782 /nfs/dbraw/zinc/27/87/82/286278782.db2.gz KXONTNSSFINUAS-QGZVFWFLSA-N 2 0 323.456 2.670 20 0 DFADRP C[N@@H+]1CC[C@@H](NCC[C@H]2CCCC[NH+]2C)[C@@H]1c1ccccc1 ZINC000352099174 286291196 /nfs/dbraw/zinc/29/11/96/286291196.db2.gz FFPKZYGSSVJAKK-QRVBRYPASA-N 2 0 301.478 2.896 20 0 DFADRP Cc1ccc([C@H](CN[C@@H]2CC[N@@H+](C)C[C@H]2C)[NH+]2CCCC2)o1 ZINC000360897396 292255381 /nfs/dbraw/zinc/25/53/81/292255381.db2.gz MJRKKOJOPLBJTH-OIISXLGYSA-N 2 0 305.466 2.655 20 0 DFADRP CCC[NH+]1CCC(N(C)Cc2cnc3cccc(C)n23)CC1 ZINC000352311126 286341972 /nfs/dbraw/zinc/34/19/72/286341972.db2.gz RPDKEOLYHOVHJT-UHFFFAOYSA-N 2 0 300.450 2.949 20 0 DFADRP CC[C@@H](C(=O)NCCC[NH+](C)C(C)C)[N@H+](C)Cc1ccccc1 ZINC000352499106 286389351 /nfs/dbraw/zinc/38/93/51/286389351.db2.gz SKGYQMVKMVQHQT-SFHVURJKSA-N 2 0 319.493 2.744 20 0 DFADRP C[C@@H]1CCC[C@@H](C)N1C(=O)C[N@H+](CCC[NH3+])CC1CCCC1 ZINC000352524517 286397812 /nfs/dbraw/zinc/39/78/12/286397812.db2.gz BPGQGSBUTDKIOS-HZPDHXFCSA-N 2 0 309.498 2.617 20 0 DFADRP COc1ccc2c(c1)[C@@H]([NH2+]CC1CC[NH+](C)CC1)CCCO2 ZINC000126187335 286424095 /nfs/dbraw/zinc/42/40/95/286424095.db2.gz DYYCINXTSCTJEJ-KRWDZBQOSA-N 2 0 304.434 2.840 20 0 DFADRP CCc1ccc(C[NH2+]Cc2cccc(OCC[NH+](C)C)c2)cn1 ZINC000352774359 286463754 /nfs/dbraw/zinc/46/37/54/286463754.db2.gz XBYBXRXKFQDVLE-UHFFFAOYSA-N 2 0 313.445 2.874 20 0 DFADRP C[NH+](C)C1CCN(CC[NH2+]C/C=C\c2ccc(F)c(F)c2)CC1 ZINC000352787925 286467991 /nfs/dbraw/zinc/46/79/91/286467991.db2.gz LOMGSTBFLHXHAA-ARJAWSKDSA-N 2 0 323.431 2.594 20 0 DFADRP CCO[C@@H](CC[NH+](C)C)C[NH2+]Cc1ccc(SC)s1 ZINC000352824176 286477188 /nfs/dbraw/zinc/47/71/88/286477188.db2.gz CWVWWPMPWBXCEJ-LBPRGKRZSA-N 2 0 302.509 2.916 20 0 DFADRP CC[NH+]1CCN([C@@H](C)C[NH2+]Cc2ccc3occc3c2)CC1 ZINC000352834618 286480458 /nfs/dbraw/zinc/48/04/58/286480458.db2.gz YNTHWTSKIJUGSZ-HNNXBMFYSA-N 2 0 301.434 2.548 20 0 DFADRP CC[NH2+]Cc1ccccc1NC(=O)c1ccc2c(c1)CC[NH2+]CC2 ZINC000353232035 286585773 /nfs/dbraw/zinc/58/57/73/286585773.db2.gz XZSGQGLNITURMW-UHFFFAOYSA-N 2 0 323.440 2.737 20 0 DFADRP CC[N@@H+]1CC[C@H]([NH2+][C@@H]2CCCN(Cc3ccccc3)C2)[C@@H](C)C1 ZINC000246970027 158110525 /nfs/dbraw/zinc/11/05/25/158110525.db2.gz JAVDBZNPWXAVIW-SXLOBPIMSA-N 2 0 315.505 2.971 20 0 DFADRP CC[N@@H+]1CC[C@H](C[NH2+][C@H](C)c2ccc(OC)c(NC(C)=O)c2)C1 ZINC000247117694 158118843 /nfs/dbraw/zinc/11/88/43/158118843.db2.gz QZMFJDMNKARTOP-UKRRQHHQSA-N 2 0 319.449 2.646 20 0 DFADRP C[C@H]([NH2+]C[C@H]1CC[N@@H+](C2CC2)C1)c1ccc([S@](C)=O)cc1 ZINC000247126915 158119522 /nfs/dbraw/zinc/11/95/22/158119522.db2.gz RKNVNTYAVAQOKA-QTCYRWPVSA-N 2 0 306.475 2.559 20 0 DFADRP COc1ccc(O[C@H](C)C[NH2+][C@@H]2C[C@@H](C)[N@H+](C)C[C@@H]2C)cc1 ZINC000247194427 158123373 /nfs/dbraw/zinc/12/33/73/158123373.db2.gz UPTUBLZILRVHAD-LUXYFRNMSA-N 2 0 306.450 2.781 20 0 DFADRP COc1ccccc1[C@H](C)[NH2+]CCCC[N@@H+]1CCC[C@H]1CO ZINC000247930409 158152314 /nfs/dbraw/zinc/15/23/14/158152314.db2.gz BZZFSSJRFXYUAU-HOTGVXAUSA-N 2 0 306.450 2.583 20 0 DFADRP COc1cc(OC)c(OC)cc1CN[C@@H]1C[C@H](C)[N@H+](C)C[C@@H]1C ZINC000247944303 158153314 /nfs/dbraw/zinc/15/33/14/158153314.db2.gz GZHFNFKXGAKPOA-KCQAQPDRSA-N 2 0 322.449 2.531 20 0 DFADRP CC[C@@H](O)C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000247961278 158153493 /nfs/dbraw/zinc/15/34/93/158153493.db2.gz GGAICTPKPXLIFT-OTWHNJEPSA-N 2 0 302.462 2.744 20 0 DFADRP C[N@@H+]1CCC[C@H]2C[NH+](CCC(=O)Nc3ccc(F)cc3)CC[C@H]21 ZINC000247974847 158155584 /nfs/dbraw/zinc/15/55/84/158155584.db2.gz KLTNDJSITCTUPZ-WMLDXEAASA-N 2 0 319.424 2.570 20 0 DFADRP CCN1CCC[C@@H]1C[NH2+][C@H](C)c1ccc(OCC[NH+](C)C)cc1 ZINC000248027871 158156838 /nfs/dbraw/zinc/15/68/38/158156838.db2.gz PPWOWDATLBCQHR-SJLPKXTDSA-N 2 0 319.493 2.762 20 0 DFADRP CCOc1ccc([C@H](C)[NH2+]CCCC[N@@H+]2CCC[C@H]2CO)cc1 ZINC000248137886 158161829 /nfs/dbraw/zinc/16/18/29/158161829.db2.gz PHWCMJPQBNJVOD-WMZOPIPTSA-N 2 0 320.477 2.973 20 0 DFADRP CCOCCC[N@@H+]1CC[C@H](N[C@H](C)c2nccs2)[C@@H](C)C1 ZINC000248184177 158164275 /nfs/dbraw/zinc/16/42/75/158164275.db2.gz XAASDZMSTWPWBL-ZNMIVQPWSA-N 2 0 311.495 2.931 20 0 DFADRP C[C@H](O)C[NH+]1CCC(C[N@H+](C)C[C@@H](C)Cc2ccccc2)CC1 ZINC000248601440 158188594 /nfs/dbraw/zinc/18/85/94/158188594.db2.gz VFQKRSMJBQNYQY-ROUUACIJSA-N 2 0 318.505 2.890 20 0 DFADRP CC[N@@H+]1CC[C@H]([NH2+]C2CCC(O)(c3cccnc3)CC2)[C@@H](C)C1 ZINC000248640209 158192309 /nfs/dbraw/zinc/19/23/09/158192309.db2.gz NHZXGVJWJWHYCB-BARLLCKDSA-N 2 0 317.477 2.532 20 0 DFADRP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@@H+]2Cc1cccc2cc[nH]c21 ZINC000355209127 158298404 /nfs/dbraw/zinc/29/84/04/158298404.db2.gz QYXDZCZIMVFRNJ-KURKYZTESA-N 2 0 313.445 2.851 20 0 DFADRP Cc1cccc(C[NH+]2CCN(CC[C@H]3CCCC[N@H+]3C)CC2)c1 ZINC000356863916 158316109 /nfs/dbraw/zinc/31/61/09/158316109.db2.gz WDJKBZDXAXASBC-HXUWFJFHSA-N 2 0 315.505 2.987 20 0 DFADRP CC[C@@H]1C[C@H](C[NH+]2CCC(OCC[NH+]3CCCC3)CC2)CCO1 ZINC000356986100 158338878 /nfs/dbraw/zinc/33/88/78/158338878.db2.gz JCFLCGMTLXHXNU-QZTJIDSGSA-N 2 0 324.509 2.768 20 0 DFADRP CC[C@@H]1C[C@@H](C[N@@H+]2CC[C@@H](OCC[NH+](CC)CC)C2)CCO1 ZINC000357001444 158343554 /nfs/dbraw/zinc/34/35/54/158343554.db2.gz XSAUMFKGRRMBFA-RCCFBDPRSA-N 2 0 312.498 2.624 20 0 DFADRP CCN(CC)C(=O)C[NH+]1CCC(CC[N@H+](CC)CC2CC2)CC1 ZINC000357083921 158363031 /nfs/dbraw/zinc/36/30/31/158363031.db2.gz LJVNVXABKQDSGW-UHFFFAOYSA-N 2 0 323.525 2.689 20 0 DFADRP C[C@H](C[NH2+][C@@H]1CC[N@H+](C)C[C@H]1C)c1nc(-c2ccccc2)no1 ZINC000358376796 158372872 /nfs/dbraw/zinc/37/28/72/158372872.db2.gz SULWTAPPARYECR-IIAWOOMASA-N 2 0 314.433 2.770 20 0 DFADRP CSc1ccc(OCC[N@@H+]2CCC3(C2)CC[NH2+]CC3)cc1 ZINC000358506360 158383442 /nfs/dbraw/zinc/38/34/42/158383442.db2.gz JNOZZMZGRLSWPK-UHFFFAOYSA-N 2 0 306.475 2.863 20 0 DFADRP CCC[N@H+](C)CC(=O)NC[C@H](c1ccsc1)[NH+](CC)CC ZINC000358589784 158391712 /nfs/dbraw/zinc/39/17/12/158391712.db2.gz KVJKOOWYMKINLE-OAHLLOKOSA-N 2 0 311.495 2.589 20 0 DFADRP CC(C)C[C@H](C[NH+](C)C)NC(=O)C1(C[NH+](C)C)CCCCC1 ZINC000358595289 158392902 /nfs/dbraw/zinc/39/29/02/158392902.db2.gz LVDQVJMCAYIORK-MRXNPFEDSA-N 2 0 311.514 2.591 20 0 DFADRP CC[NH+](CC)CC1CCN(C(=O)[C@@H]2CCCCCC[C@@H]2[NH3+])CC1 ZINC000430673664 296804035 /nfs/dbraw/zinc/80/40/35/296804035.db2.gz FHTHNNQJNQCRIG-MSOLQXFVSA-N 2 0 323.525 2.865 20 0 DFADRP C[C@@H](CN1CC[NH+](C)CC1)[NH2+][C@H]1CCCCc2ccccc21 ZINC000155078498 286844491 /nfs/dbraw/zinc/84/44/91/286844491.db2.gz GRYGBQXICBJOIV-LPHOPBHVSA-N 2 0 301.478 2.680 20 0 DFADRP C[C@H]([NH3+])C1CC[NH+](CC(=O)Nc2cccc3ccccc32)CC1 ZINC000430941295 296813810 /nfs/dbraw/zinc/81/38/10/296813810.db2.gz VMWOSFWSVJULDP-AWEZNQCLSA-N 2 0 311.429 2.838 20 0 DFADRP C[C@@H]([NH2+]CC1(N2CCCCC2)CC[NH+](C)CC1)c1cncs1 ZINC000124668564 287018852 /nfs/dbraw/zinc/01/88/52/287018852.db2.gz VALFMPWDVQNPPH-OAHLLOKOSA-N 2 0 322.522 2.744 20 0 DFADRP C[C@@H]([NH2+]C[C@H](C)C[NH+]1CCCC1)c1ccc(-n2cncn2)cc1 ZINC000165334742 287034796 /nfs/dbraw/zinc/03/47/96/287034796.db2.gz AAMNFSJJSVUFTK-JKSUJKDBSA-N 2 0 313.449 2.650 20 0 DFADRP COc1cccc(OCC[N@@H+]2CC[C@@H](C)[C@@H](n3ccnc3)C2)c1 ZINC000129592815 196060368 /nfs/dbraw/zinc/06/03/68/196060368.db2.gz WSIWOOWBZWUVPJ-QAPCUYQASA-N 2 0 315.417 2.854 20 0 DFADRP CC[NH+](CC)CCC[NH2+][C@@H]1CCN(Cc2ccccn2)C[C@@H]1C ZINC000131462148 196170833 /nfs/dbraw/zinc/17/08/33/196170833.db2.gz SZDBTQHVQTZINZ-PKOBYXMFSA-N 2 0 318.509 2.614 20 0 DFADRP [NH3+]Cc1ccc(NC(=O)c2cccc(C[NH+]3CCCC3)c2)cc1 ZINC000131755014 196196802 /nfs/dbraw/zinc/19/68/02/196196802.db2.gz OWQVELHHECYBLP-UHFFFAOYSA-N 2 0 309.413 2.993 20 0 DFADRP CC[NH+]1CCN([C@H]2CC[N@H+](C[C@@H](C)Cc3ccccc3)C2)CC1 ZINC000132314555 196244244 /nfs/dbraw/zinc/24/42/44/196244244.db2.gz AGTOYYZJPPJMLE-ICSRJNTNSA-N 2 0 315.505 2.577 20 0 DFADRP CC(C)[C@@H](C[NH2+][C@H](C)CCc1ccccc1)N1CC[NH+](C)CC1 ZINC000132320141 196245525 /nfs/dbraw/zinc/24/55/25/196245525.db2.gz UOVQTUYIFFVAMQ-UYAOXDASSA-N 2 0 317.521 2.869 20 0 DFADRP [NH3+]Cc1ccc(C(=O)N[C@H]2CCC[N@H+](Cc3ccccc3)C2)cc1 ZINC000132821311 196287283 /nfs/dbraw/zinc/28/72/83/196287283.db2.gz WKTBCTWDAYDQOF-IBGZPJMESA-N 2 0 323.440 2.540 20 0 DFADRP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)C[C@@H]2CCC[C@H]2[NH3+])C1 ZINC000261765167 287273851 /nfs/dbraw/zinc/27/38/51/287273851.db2.gz NXHJFKRXDKXPBR-ZJPYXAASSA-N 2 0 321.509 2.617 20 0 DFADRP CCOc1cc(CCC[NH2+][C@H]2CC[N@H+](C)C[C@@H]2C)ccc1OC ZINC000133908031 196345677 /nfs/dbraw/zinc/34/56/77/196345677.db2.gz VJCZKXFGLDFVQN-RDJZCZTQSA-N 2 0 320.477 2.956 20 0 DFADRP CC[NH+](CC)[C@@H](CN[C@@H]1CC[N@H+](C)C[C@@H]1C)c1ccccc1 ZINC000134021146 196354088 /nfs/dbraw/zinc/35/40/88/196354088.db2.gz ZSASUATUWNNQSX-UHOSZYNNSA-N 2 0 303.494 2.999 20 0 DFADRP C[C@@H]1C[C@H](NC[C@@H](c2cccs2)[NH+]2CCCC2)CC[N@@H+]1C ZINC000134138581 196365200 /nfs/dbraw/zinc/36/52/00/196365200.db2.gz QMLLMNWKHNCOEB-OAGGEKHMSA-N 2 0 307.507 2.957 20 0 DFADRP CN(Cc1cnc2n1CCC2)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000667531854 543623241 /nfs/dbraw/zinc/62/32/41/543623241.db2.gz SFSPAHJHDGRBML-GOSISDBHSA-N 2 0 324.472 2.926 20 0 DFADRP c1nc2n(c1CN1CCC[N@@H+](CC3CCCCC3)CC1)CCC2 ZINC000667534580 543624350 /nfs/dbraw/zinc/62/43/50/543624350.db2.gz FLGKHWAYQMWQEZ-UHFFFAOYSA-N 2 0 316.493 2.917 20 0 DFADRP CC(C)[N@H+](C)CC1CC[NH+](Cc2ccnn2CC2CC2)CC1 ZINC000667534834 543624931 /nfs/dbraw/zinc/62/49/31/543624931.db2.gz MQNFOYHMBWASFE-UHFFFAOYSA-N 2 0 304.482 2.845 20 0 DFADRP Cc1ncc(CN2CCC[C@H](C[N@H+]3CCCC[C@H]3C)C2)n1C ZINC000667561413 543630998 /nfs/dbraw/zinc/63/09/98/543630998.db2.gz WEYUEMASYSIUKH-WBVHZDCISA-N 2 0 304.482 2.815 20 0 DFADRP CCOc1ccc(CN2CCC([N@H+](C)C[C@H](C)O)CC2)c(C)c1 ZINC000667611480 543640815 /nfs/dbraw/zinc/64/08/15/543640815.db2.gz PTJSRVJYINZBJB-INIZCTEOSA-N 2 0 320.477 2.671 20 0 DFADRP Cn1ncc(C2CCC2)c1CN1CC[C@H](C[NH+]2CCCC2)C1 ZINC000667663062 543653492 /nfs/dbraw/zinc/65/34/92/543653492.db2.gz BUJAFUREOMLSHR-OAHLLOKOSA-N 2 0 302.466 2.605 20 0 DFADRP c1nn2c(c1C[NH+]1CCC(CCC[NH+]3CCCC3)CC1)CCC2 ZINC000667680289 543658742 /nfs/dbraw/zinc/65/87/42/543658742.db2.gz CFQSJHQDYRHGGS-UHFFFAOYSA-N 2 0 316.493 2.917 20 0 DFADRP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)Nc1cccc(C[NH3+])c1 ZINC000667728671 543668132 /nfs/dbraw/zinc/66/81/32/543668132.db2.gz XROIYRBEUGFDKP-MRXNPFEDSA-N 2 0 304.438 2.531 20 0 DFADRP CCC[NH+](CCC)CCCNC(=O)Nc1cccc(C[NH3+])c1 ZINC000667729352 543668350 /nfs/dbraw/zinc/66/83/50/543668350.db2.gz DEBOICKDZHRZFL-UHFFFAOYSA-N 2 0 306.454 2.779 20 0 DFADRP C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)Nc1cccc(C[NH3+])c1 ZINC000667731603 543668367 /nfs/dbraw/zinc/66/83/67/543668367.db2.gz YDGYTXMDERZRHF-RBSFLKMASA-N 2 0 318.465 2.633 20 0 DFADRP C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)Nc2cccc(C[NH3+])c2)C1 ZINC000667731026 543668461 /nfs/dbraw/zinc/66/84/61/543668461.db2.gz JUHWWVWRGRKSSZ-CQSZACIVSA-N 2 0 318.465 2.777 20 0 DFADRP C[C@@H](CNC(=O)Nc1cccc(C[NH3+])c1)[N@@H+]1CCCC[C@@H]1C ZINC000667730831 543668515 /nfs/dbraw/zinc/66/85/15/543668515.db2.gz BVLSDZHXTAFDII-KBPBESRZSA-N 2 0 304.438 2.530 20 0 DFADRP CC[NH+](CC)CC1CCN(C(=O)Nc2cccc(C[NH3+])c2)CC1 ZINC000667731281 543668543 /nfs/dbraw/zinc/66/85/43/543668543.db2.gz PJPDNPDMOMWOCJ-UHFFFAOYSA-N 2 0 318.465 2.731 20 0 DFADRP CC[NH+]1CCN(c2ccc(C[NH2+][C@@H]3CCC[C@@H]4C[C@@H]43)cn2)CC1 ZINC000667788252 543679652 /nfs/dbraw/zinc/67/96/52/543679652.db2.gz LVMKEVCJMCRSNC-FGTMMUONSA-N 2 0 314.477 2.502 20 0 DFADRP CC[C@H](C[NH+]1CCCC1)NC(=O)C[C@H](c1ccccc1)[NH+](C)C ZINC000667956333 543710686 /nfs/dbraw/zinc/71/06/86/543710686.db2.gz PWOVPOHUVKLXKH-QZTJIDSGSA-N 2 0 317.477 2.670 20 0 DFADRP CC[N@@H+]1C[C@H](C)N(C(=O)Nc2ccn3cc(C)nc3c2)C[C@@H]1C ZINC000668158626 543753826 /nfs/dbraw/zinc/75/38/26/543753826.db2.gz ZBOVVWKOEQOOCX-KBPBESRZSA-N 2 0 315.421 2.589 20 0 DFADRP CCN(CCC[NH+]1CCCC1)Cc1c(C(F)(F)F)cnn1C ZINC000668165651 543755962 /nfs/dbraw/zinc/75/59/62/543755962.db2.gz ACYSNGVHCPDNSF-UHFFFAOYSA-N 2 0 318.387 2.747 20 0 DFADRP CCCn1ccnc1CCC[N@H+](C)Cc1c(C2CC2)cnn1C ZINC000668169265 543757984 /nfs/dbraw/zinc/75/79/84/543757984.db2.gz LXYOXMLAUQOAPX-UHFFFAOYSA-N 2 0 315.465 2.969 20 0 DFADRP CO[C@H]1C[C@@H]([N@H+](C)Cc2ccnn2-c2cc[nH+]cc2)C12CCC2 ZINC000668225026 543771728 /nfs/dbraw/zinc/77/17/28/543771728.db2.gz CFZRGSCTYUZRLS-SJORKVTESA-N 2 0 312.417 2.657 20 0 DFADRP CN1CCN(Cc2ccccc2)[C@H](C[NH2+][C@@H]2CCC[C@@H]3C[C@@H]32)C1 ZINC000668759175 543861833 /nfs/dbraw/zinc/86/18/33/543861833.db2.gz RZRIADUWBMIVTD-YSTOQKLRSA-N 2 0 313.489 2.581 20 0 DFADRP OC[C@@]1([NH2+][C@H]2CCC23CCC3)CCCN(Cc2ccccc2)C1 ZINC000669702502 543985862 /nfs/dbraw/zinc/98/58/62/543985862.db2.gz HJCACOGLJFEGDP-AZUAARDMSA-N 2 0 314.473 2.936 20 0 DFADRP C[C@@H](C[NH2+]Cc1ccnc(N2CC[NH+](C)CC2)c1)C(C)(C)C ZINC000670266365 544031412 /nfs/dbraw/zinc/03/14/12/544031412.db2.gz ASTIQZNOIRTDKG-HNNXBMFYSA-N 2 0 304.482 2.605 20 0 DFADRP COc1ccc([C@@H](CN(C)C)[NH2+][C@@H](C)C2CC[NH+](C)CC2)cc1 ZINC000671304338 544066441 /nfs/dbraw/zinc/06/64/41/544066441.db2.gz IXKDJHOZGSEUHE-HNAYVOBHSA-N 2 0 319.493 2.618 20 0 DFADRP FC(F)[C@H]1CC[N@H+](CCCN2CCN(c3ccccc3)CC2)C1 ZINC000671685498 544097524 /nfs/dbraw/zinc/09/75/24/544097524.db2.gz HAJOPMVPNIMKMF-INIZCTEOSA-N 2 0 323.431 2.786 20 0 DFADRP C[N@@H+]1CC[C@H]([NH2+]CCN2CCCc3ccccc32)[C@@H]2CCC[C@@H]21 ZINC000671743970 544105497 /nfs/dbraw/zinc/10/54/97/544105497.db2.gz KAVARJIRPOMHFU-BJLQDIEVSA-N 2 0 313.489 2.902 20 0 DFADRP C[C@H]([NH2+]CCC1CC[NH+](C)CC1)c1ccc2[nH]c(=O)oc2c1 ZINC000671746662 544105971 /nfs/dbraw/zinc/10/59/71/544105971.db2.gz RPRYKLMFHFNGTA-LBPRGKRZSA-N 2 0 303.406 2.916 20 0 DFADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@H](CO)c2ccc(Cl)cc2)[C@@H](C)C1 ZINC000672619128 544143745 /nfs/dbraw/zinc/14/37/45/544143745.db2.gz JEJNDFSKGJAWDO-LXZKKBNFSA-N 2 0 310.869 2.736 20 0 DFADRP OC[C@H](C[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccc(Cl)cc1 ZINC000672619019 544143856 /nfs/dbraw/zinc/14/38/56/544143856.db2.gz HYJFQXGLFMEZMG-BHYGNILZSA-N 2 0 308.853 2.632 20 0 DFADRP CC[C@@H]1C[N@@H+]2CCCC[C@H]2CN1C(=O)CC[C@H]1CCCC[NH+]1C ZINC000672987679 544163663 /nfs/dbraw/zinc/16/36/63/544163663.db2.gz GZUIGWWYIRJQPV-KURKYZTESA-N 2 0 321.509 2.726 20 0 DFADRP Cc1ccccc1[C@H]([C@@H](C)NC(=O)[C@H]1CCCC[N@@H+]1C)[NH+](C)C ZINC000673156180 544170756 /nfs/dbraw/zinc/17/07/56/544170756.db2.gz RDTZYOUKQVMHLQ-NXHRZFHOSA-N 2 0 317.477 2.587 20 0 DFADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCC[NH2+]Cc2c[nH]c3nccnc23)C1 ZINC000290911533 222015279 /nfs/dbraw/zinc/01/52/79/222015279.db2.gz PJYGIDJNZCOMMX-GASCZTMLSA-N 2 0 315.465 2.806 20 0 DFADRP C[C@H](CC[NH2+]Cc1c[nH]c2nccnc12)[N@H+](C)Cc1ccccc1 ZINC000290977846 222045355 /nfs/dbraw/zinc/04/53/55/222045355.db2.gz YGIYAHUNLLFDFA-OAHLLOKOSA-N 2 0 323.444 2.958 20 0 DFADRP CC[NH+](CC)Cc1ccc(C(=O)N(C)C[C@@H]2CCC[N@@H+]2CC)o1 ZINC000673800767 544198854 /nfs/dbraw/zinc/19/88/54/544198854.db2.gz AEQQRHQQTJCAQS-HNNXBMFYSA-N 2 0 321.465 2.678 20 0 DFADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CCN(c3ccccc3F)C2)[C@@H](C)C1 ZINC000291210833 222226164 /nfs/dbraw/zinc/22/61/64/222226164.db2.gz MSMYZRXVYRYQQJ-BQFCYCMXSA-N 2 0 319.468 2.972 20 0 DFADRP COC(=O)CC[N@@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000291447355 222395808 /nfs/dbraw/zinc/39/58/08/222395808.db2.gz LNISMXCIGSOKOT-UHFFFAOYSA-N 2 0 316.445 2.538 20 0 DFADRP CC[C@@H](C[NH+]1CCCC1)NC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000674094529 544220129 /nfs/dbraw/zinc/22/01/29/544220129.db2.gz OXMCEDLOPLXDJU-SJORKVTESA-N 2 0 321.509 2.632 20 0 DFADRP C[C@@H](C(=O)NCc1ccc(C[NH+]2CCCCCC2)cc1)[NH+](C)C ZINC000674245627 544226213 /nfs/dbraw/zinc/22/62/13/544226213.db2.gz NSQLRJZCMMBVMS-INIZCTEOSA-N 2 0 317.477 2.629 20 0 DFADRP COc1cc(C)c(C[NH2+]C[C@@H]2CC[N@@H+](C(C)C)C2)cc1OC ZINC000674375187 544237181 /nfs/dbraw/zinc/23/71/81/544237181.db2.gz AGNZJFXSWIIGPY-HNNXBMFYSA-N 2 0 306.450 2.832 20 0 DFADRP COc1cc(C)c(C[NH2+]C[C@H]2CC[N@@H+](C(C)C)C2)cc1OC ZINC000674375188 544237192 /nfs/dbraw/zinc/23/71/92/544237192.db2.gz AGNZJFXSWIIGPY-OAHLLOKOSA-N 2 0 306.450 2.832 20 0 DFADRP CC[NH+](CC)Cc1ccc(C(=O)N[C@@H]2C[N@H+](CC)C[C@H]2C)cc1 ZINC000674824588 544264207 /nfs/dbraw/zinc/26/42/07/544264207.db2.gz AJSWOOQQHZPZGY-CRAIPNDOSA-N 2 0 317.477 2.598 20 0 DFADRP Cc1ccccc1NC(=O)CC[NH+]1CCC(C[NH+](C)C)CC1 ZINC000434580860 296942359 /nfs/dbraw/zinc/94/23/59/296942359.db2.gz MGFFMVDARCOSGA-UHFFFAOYSA-N 2 0 303.450 2.597 20 0 DFADRP COc1ccc(CC[NH2+][C@H](C)C2CC[NH+](C)CC2)c(OC)c1 ZINC000675788985 544336713 /nfs/dbraw/zinc/33/67/13/544336713.db2.gz PRGUHUFPZSOIBT-CQSZACIVSA-N 2 0 306.450 2.566 20 0 DFADRP CCc1nc(C)c([C@H](C)[NH2+]CC(C)(C)N2CC[NH+](C)CC2)s1 ZINC000675743039 544333326 /nfs/dbraw/zinc/33/33/26/544333326.db2.gz ZBEMRHDZRKQGFH-ZDUSSCGKSA-N 2 0 324.538 2.691 20 0 DFADRP Cc1cccc2c1CC[C@@H]2[NH2+][C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000675869803 544340795 /nfs/dbraw/zinc/34/07/95/544340795.db2.gz AVFJSEVTWAPKJA-JXFKEZNVSA-N 2 0 313.489 2.740 20 0 DFADRP CC[C@@H]([NH2+]CCN1CC[N@H+](C)C(C)(C)C1)c1ccc(F)cc1 ZINC000442873027 297208867 /nfs/dbraw/zinc/20/88/67/297208867.db2.gz KLLAJLSQHWOBTI-QGZVFWFLSA-N 2 0 307.457 2.892 20 0 DFADRP C[C@H]([NH2+][C@@H](CO)CC1CC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000681394919 545637554 /nfs/dbraw/zinc/63/75/54/545637554.db2.gz XIQBLJNWJPGUTO-KFKAGJAMSA-N 2 0 302.462 2.648 20 0 DFADRP OC[C@@H]1CCC[N@@H+]1CCCC[NH2+][C@@H]1CCc2c1cc(F)cc2F ZINC000677131351 544438262 /nfs/dbraw/zinc/43/82/62/544438262.db2.gz QUNGAJMVHFCZIU-KBXCAEBGSA-N 2 0 324.415 2.779 20 0 DFADRP C[C@H]1C[C@@H](CC[NH2+]Cc2ccn(C)n2)C[N@@H+]1Cc1ccccc1 ZINC000677129233 544438430 /nfs/dbraw/zinc/43/84/30/544438430.db2.gz OMJTVSLJHOZJQN-FUHWJXTLSA-N 2 0 312.461 2.810 20 0 DFADRP CC(C)(C[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccc2c(c1)OCO2 ZINC000677238246 544457355 /nfs/dbraw/zinc/45/73/55/544457355.db2.gz ZTGIMOSBJNEWRT-CVEARBPZSA-N 2 0 316.445 2.909 20 0 DFADRP CC[C@@H](C[NH+]1CCN([C@H]2CCC[N@H+](C)C2)CC1)c1ccccc1 ZINC000678258765 544635001 /nfs/dbraw/zinc/63/50/01/544635001.db2.gz MQAFYBPPYBCRSO-ICSRJNTNSA-N 2 0 315.505 2.892 20 0 DFADRP C[NH2+]CC1CC[NH+](C[C@H](C)Cc2ccc(OC)c(F)c2)CC1 ZINC000435392971 296959511 /nfs/dbraw/zinc/95/95/11/296959511.db2.gz IGCPGWCORZSJRJ-CQSZACIVSA-N 2 0 308.441 2.944 20 0 DFADRP Cc1ccc([C@H](C)[NH2+]CCCC[N@@H+]2CCC[C@@H]2CO)c(C)n1 ZINC000678422650 544670507 /nfs/dbraw/zinc/67/05/07/544670507.db2.gz NKQJJDKIFWEDRI-DOTOQJQBSA-N 2 0 305.466 2.586 20 0 DFADRP CN(CC[C@@H]1CCCC[N@@H+]1C)Cc1ccccc1-n1cncn1 ZINC000678279191 544643182 /nfs/dbraw/zinc/64/31/82/544643182.db2.gz KZZOTQVCZGCCRO-KRWDZBQOSA-N 2 0 313.449 2.574 20 0 DFADRP OC[C@H](CC1CC1)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000678606098 544701097 /nfs/dbraw/zinc/70/10/97/544701097.db2.gz GSPIFWKKACJGMV-SEBOWIOWSA-N 2 0 314.473 2.933 20 0 DFADRP CC[NH+]1CCN(CCC[NH2+][C@H]2c3ccccc3CC[C@H]2C)CC1 ZINC000678766119 544716794 /nfs/dbraw/zinc/71/67/94/544716794.db2.gz MBSSGEXYHYQVOR-YLJYHZDGSA-N 2 0 315.505 2.927 20 0 DFADRP CC[NH+]1CCN([C@H](C)C[NH2+][C@@H]2c3ccccc3CC[C@H]2C)CC1 ZINC000678766081 544716938 /nfs/dbraw/zinc/71/69/38/544716938.db2.gz KVJSCOXQIMAHOS-HLIPFELVSA-N 2 0 315.505 2.926 20 0 DFADRP C[C@@H]1CCc2ccccc2[C@@H]1[NH2+]CC(C)(C)N1CC[NH+](C)CC1 ZINC000678766854 544718025 /nfs/dbraw/zinc/71/80/25/544718025.db2.gz PTFIDTOFKRGZMW-VQIMIIECSA-N 2 0 315.505 2.926 20 0 DFADRP CCN1C[C@H](C)[C@H]([NH2+][C@H](C)c2ccc(OCC[NH+](C)C)cc2)C1 ZINC000679075295 544780268 /nfs/dbraw/zinc/78/02/68/544780268.db2.gz IIGAJHWFYFHXSX-FRQCXROJSA-N 2 0 319.493 2.618 20 0 DFADRP Cc1n[nH]cc1[C@H](C)[NH2+]CCc1ccc(OCC[NH+](C)C)cc1 ZINC000679340283 544837743 /nfs/dbraw/zinc/83/77/43/544837743.db2.gz QNSHSRQTMVLTSN-AWEZNQCLSA-N 2 0 316.449 2.552 20 0 DFADRP C[NH+](C)CCOC1CC[NH+](C[C@H]2CCc3ccccc3C2)CC1 ZINC000679819984 544912951 /nfs/dbraw/zinc/91/29/51/544912951.db2.gz OENHHHWARBYPEQ-KRWDZBQOSA-N 2 0 316.489 2.834 20 0 DFADRP CO[C@@H]1CCC[NH+](C/C=C\C[N@H+]2CCC[C@H](OC)CC2)CC1 ZINC000679953311 544933230 /nfs/dbraw/zinc/93/32/30/544933230.db2.gz ICLZLBCFOLQHQY-FEFURNDJSA-N 2 0 310.482 2.544 20 0 DFADRP CO[C@H]1CCC[N@H+](Cc2ccc(OCC[NH+](C)C)cc2)CC1 ZINC000680004033 544941900 /nfs/dbraw/zinc/94/19/00/544941900.db2.gz VSILNMXDBNOGJV-KRWDZBQOSA-N 2 0 306.450 2.628 20 0 DFADRP C[C@@H]1OCC[C@@]1(C)[NH2+]Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000680145904 544963977 /nfs/dbraw/zinc/96/39/77/544963977.db2.gz VMEAESYVSDBHRH-QFBILLFUSA-N 2 0 318.461 2.818 20 0 DFADRP C[C@H]([NH2+]CCCc1cnn(C)c1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000680401423 545004834 /nfs/dbraw/zinc/00/48/34/545004834.db2.gz ZCVLUJUAJVNOTC-RDJZCZTQSA-N 2 0 304.482 2.595 20 0 DFADRP CC[NH+]1CCN(CCC[NH2+]C/C(C)=C/c2ccccc2)CC1 ZINC000102422153 425921345 /nfs/dbraw/zinc/92/13/45/425921345.db2.gz VXSSNURMSZNAGI-FBMGVBCBSA-N 2 0 301.478 2.707 20 0 DFADRP COC[C@@H](C)[NH+]1CCN(c2cc(C)[nH+]c3ccc(F)cc32)CC1 ZINC000124442429 425919628 /nfs/dbraw/zinc/91/96/28/425919628.db2.gz JCFMJBZPCHMOIA-CQSZACIVSA-N 2 0 317.408 2.839 20 0 DFADRP CC[NH+]1CCN([C@H](C)C[NH2+][C@H](Cc2ccccc2)C2CC2)CC1 ZINC000155571955 425919994 /nfs/dbraw/zinc/91/99/94/425919994.db2.gz BXEGLGPAQOONDI-YLJYHZDGSA-N 2 0 315.505 2.623 20 0 DFADRP CCc1cc(NC[C@H](C)[NH+]2CCN(C)CC2)c2ccccc2[nH+]1 ZINC000124499381 425922811 /nfs/dbraw/zinc/92/28/11/425922811.db2.gz UWQWXHSWRZPBPH-HNNXBMFYSA-N 2 0 312.461 2.845 20 0 DFADRP CC[NH+]1CCN([C@@H](C)C[NH2+][C@@H]2c3ccccc3C[C@@H]2C)CC1 ZINC000155627161 425923043 /nfs/dbraw/zinc/92/30/43/425923043.db2.gz LNPOBKKYFILTNB-BXWFABGCSA-N 2 0 301.478 2.536 20 0 DFADRP CCc1ccc([C@@H](C)[NH2+]CC2CC[NH+](CCN(C)C)CC2)o1 ZINC000124540651 425925325 /nfs/dbraw/zinc/92/53/25/425925325.db2.gz WFJILQPSMPAKAZ-OAHLLOKOSA-N 2 0 307.482 2.766 20 0 DFADRP CC[NH+]1CCN([C@H](C)C[NH2+][C@@H]2c3cc(F)ccc3C[C@@H]2C)CC1 ZINC000155762881 425926490 /nfs/dbraw/zinc/92/64/90/425926490.db2.gz XOKNDSBEFHNYDH-KHYOSLBOSA-N 2 0 319.468 2.675 20 0 DFADRP CC[C@H](C)[C@H]([NH3+])C(=O)NC[C@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000155757295 425927004 /nfs/dbraw/zinc/92/70/04/425927004.db2.gz AQYCRVUCXZJIBU-XRGAULLZSA-N 2 0 323.506 2.621 20 0 DFADRP Cc1ccc(C)c2c1CCC[C@@H]2[NH2+]C[C@@H](C)N1CC[NH+](C)CC1 ZINC000186154534 267808557 /nfs/dbraw/zinc/80/85/57/267808557.db2.gz VLUBOBVXRAZQHN-MJGOQNOKSA-N 2 0 315.505 2.906 20 0 DFADRP CC[NH+](CC)Cc1ccc(C(=O)NC2CC[NH+](C(C)C)CC2)o1 ZINC000046041834 425863612 /nfs/dbraw/zinc/86/36/12/425863612.db2.gz CSXKSSSQZFPTDP-UHFFFAOYSA-N 2 0 321.465 2.724 20 0 DFADRP CCCn1cc(CNC[C@H]2CC[N@H+](Cc3ccccc3)C2)cn1 ZINC000192919828 268054242 /nfs/dbraw/zinc/05/42/42/268054242.db2.gz GSBYGCYMOHDGRI-GOSISDBHSA-N 2 0 312.461 2.905 20 0 DFADRP C[C@@H](CCN[C@@H](C)c1ccnn1C)[N@H+](C)Cc1ccccc1 ZINC000192924194 268054318 /nfs/dbraw/zinc/05/43/18/268054318.db2.gz WVBDMVTVLQZIPZ-HOTGVXAUSA-N 2 0 300.450 2.981 20 0 DFADRP CC[NH+]1CCN(CCCC[NH2+]Cc2cc(Cl)cs2)CC1 ZINC000193003429 268057216 /nfs/dbraw/zinc/05/72/16/268057216.db2.gz JFFIRKOUCALHMC-UHFFFAOYSA-N 2 0 315.914 2.909 20 0 DFADRP C[C@H]1CC(C)(C)C[C@H]1[NH2+]Cc1ccnc(OCC[NH+](C)C)c1 ZINC000193144978 268060614 /nfs/dbraw/zinc/06/06/14/268060614.db2.gz IVGMUVXZTGDSNF-GOEBONIOSA-N 2 0 305.466 2.936 20 0 DFADRP CC[NH+]1CCN([C@H](C)C[NH2+]CCSCc2ccccc2)CC1 ZINC000193901893 268083114 /nfs/dbraw/zinc/08/31/14/268083114.db2.gz IBHGYHOVOGEARW-QGZVFWFLSA-N 2 0 321.534 2.535 20 0 DFADRP C[NH+](C)CCCC[NH2+][C@@H]1CCC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000222995099 268141452 /nfs/dbraw/zinc/14/14/52/268141452.db2.gz SGSZASOMRNYPML-HUUCEWRRSA-N 2 0 313.486 2.754 20 0 DFADRP CCC[NH+]1CCC(N(C)C(=O)CC[C@@H]([NH3+])c2ccccc2)CC1 ZINC000236774209 268150618 /nfs/dbraw/zinc/15/06/18/268150618.db2.gz MERNQZIXRCRUCO-GOSISDBHSA-N 2 0 317.477 2.799 20 0 DFADRP C[N@H+](CC1CC[NH2+]CC1)C1CCN(Cc2ccccc2)CC1 ZINC000237187734 268155259 /nfs/dbraw/zinc/15/52/59/268155259.db2.gz WVAPVWVMCJWJTN-UHFFFAOYSA-N 2 0 301.478 2.582 20 0 DFADRP [NH3+][C@@H]1CCCCCC[C@H]1C(=O)NC1CC[NH+](C2CCCC2)CC1 ZINC000237888707 268161586 /nfs/dbraw/zinc/16/15/86/268161586.db2.gz LHUYIXRWXWZUTG-QZTJIDSGSA-N 2 0 321.509 2.807 20 0 DFADRP C[C@H](CC(N)=O)[NH2+]Cc1ccc(C[N@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000267258830 268180279 /nfs/dbraw/zinc/18/02/79/268180279.db2.gz PUBRSUCDUCTRME-OWCLPIDISA-N 2 0 317.477 2.518 20 0 DFADRP Cc1sccc1C[NH2+]Cc1ccnc(OCC[NH+](C)C)c1 ZINC000293205542 268288416 /nfs/dbraw/zinc/28/84/16/268288416.db2.gz IYGNLSUUEJMRGG-UHFFFAOYSA-N 2 0 305.447 2.682 20 0 DFADRP CC1CCC([NH2+]CCN2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000302796073 268324943 /nfs/dbraw/zinc/32/49/43/268324943.db2.gz RNORVFVHPSYUIZ-UHFFFAOYSA-N 2 0 315.505 2.973 20 0 DFADRP Cn1cnc(CC[NH2+]Cc2ccc(Br)c(F)c2)c1 ZINC000313309629 268339856 /nfs/dbraw/zinc/33/98/56/268339856.db2.gz VLRQKLFGFPFBGZ-UHFFFAOYSA-N 2 0 312.186 2.654 20 0 DFADRP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]CCc1cccc(Br)c1 ZINC000313696319 268340520 /nfs/dbraw/zinc/34/05/20/268340520.db2.gz IJWCNTCQSSYWKH-IUODEOHRSA-N 2 0 311.267 2.921 20 0 DFADRP COc1cc(C[N@@H+]2C[C@@H](C)[C@](C)(C[NH3+])C2)ccc1OC(F)F ZINC000319282841 268346114 /nfs/dbraw/zinc/34/61/14/268346114.db2.gz GJAHLTGKEVBHEZ-BDJLRTHQSA-N 2 0 314.376 2.713 20 0 DFADRP C[C@@H](C(=O)Nc1cccc(F)c1)N1CCC[C@@H](c2ncc[nH]2)C1 ZINC000332104289 268359032 /nfs/dbraw/zinc/35/90/32/268359032.db2.gz FNMPQOSDLFMZOC-QWHCGFSZSA-N 2 0 316.380 2.755 20 0 DFADRP CCc1noc(C2CCC([NH2+][C@@H]3CCCC[C@@H]3C[NH3+])CC2)n1 ZINC000333145257 268377815 /nfs/dbraw/zinc/37/78/15/268377815.db2.gz LRJLYJHDIDQQFX-HXSCFSKGSA-N 2 0 306.454 2.765 20 0 DFADRP C[C@@H]1C[C@H](C[NH2+]C2(c3noc(C4CC4)n3)CCCC2)CC[NH2+]1 ZINC000333202452 268382174 /nfs/dbraw/zinc/38/21/74/268382174.db2.gz YGNWSKUVACMLNV-CHWSQXEVSA-N 2 0 304.438 2.694 20 0 DFADRP C[C@H]1C[C@H](C[NH2+]C2(c3noc(C4CC4)n3)CCCC2)CC[NH2+]1 ZINC000333202454 268382371 /nfs/dbraw/zinc/38/23/71/268382371.db2.gz YGNWSKUVACMLNV-QWHCGFSZSA-N 2 0 304.438 2.694 20 0 DFADRP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+][C@@H]1CCC(=O)N[C@H]1C(C)(C)C ZINC000333340065 268392953 /nfs/dbraw/zinc/39/29/53/268392953.db2.gz XXJAUKJHMQNUFE-KCYZZUKISA-N 2 0 309.498 2.580 20 0 DFADRP CCc1noc(C2CCC([NH2+][C@@H]3CC[C@@H]4C[NH2+]C[C@H]4C3)CC2)n1 ZINC000333849532 268420239 /nfs/dbraw/zinc/42/02/39/268420239.db2.gz PTQJHLLOBXNORP-FSXGRMEGSA-N 2 0 318.465 2.636 20 0 DFADRP C[C@@H]1CCC[N@H+](CCCC[NH2+][C@@H]2CCCc3c2cnn3C)C1 ZINC000157955867 425940590 /nfs/dbraw/zinc/94/05/90/425940590.db2.gz SHULJKMBWNCRDH-NVXWUHKLSA-N 2 0 304.482 2.899 20 0 DFADRP CC[C@H](C)[C@H](C)[N@H+](CC(=O)NC1CC[NH+](C2CC2)CC1)C1CC1 ZINC000104966858 425966511 /nfs/dbraw/zinc/96/65/11/425966511.db2.gz VGWBHPJHWUPICO-GJZGRUSLSA-N 2 0 321.509 2.628 20 0 DFADRP C[N@@H+]1CCC[C@H]1CCN1CCN(Cc2ccccc2Cl)CC1 ZINC000125560160 425979624 /nfs/dbraw/zinc/97/96/24/425979624.db2.gz OVUZDRCWQZEYHF-KRWDZBQOSA-N 2 0 321.896 2.942 20 0 DFADRP Cc1cn2c(n1)CC[C@H](N[C@@H](c1ncc[nH]1)c1ccccc1)C2 ZINC000126523087 426023890 /nfs/dbraw/zinc/02/38/90/426023890.db2.gz FDAPCTPSSSNSRT-DOTOQJQBSA-N 2 0 307.401 2.609 20 0 DFADRP CC[C@@H](O)C[NH+]1CCN(c2cc(C)[nH+]c3ccc(F)cc32)CC1 ZINC000126632742 426029710 /nfs/dbraw/zinc/02/97/10/426029710.db2.gz PGTGTMBYAHSUAC-OAHLLOKOSA-N 2 0 317.408 2.575 20 0 DFADRP C[C@@H](C(=O)N1CCC([NH2+]C2CCCC2)CC1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000126778848 426036501 /nfs/dbraw/zinc/03/65/01/426036501.db2.gz UCNOTZWNIBKUGT-XHSDSOJGSA-N 2 0 321.509 2.771 20 0 DFADRP C[C@@H](c1ccccn1)[NH+]1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000161915256 426044712 /nfs/dbraw/zinc/04/47/12/426044712.db2.gz DXMDOUUFIMJMSJ-KRWDZBQOSA-N 2 0 317.477 2.967 20 0 DFADRP CN(CCC[NH+]1CCCC1)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000162102396 426051700 /nfs/dbraw/zinc/05/17/00/426051700.db2.gz XCXBYMBNYUFCCX-FQEVSTJZSA-N 3 0 315.505 2.926 20 0 DFADRP C(C[NH+]1CCCC1)C[NH+]1CCC(OC[C@@H]2CCCCO2)CC1 ZINC000162182159 426056027 /nfs/dbraw/zinc/05/60/27/426056027.db2.gz PPDJGVCVEJNTJH-SFHVURJKSA-N 2 0 310.482 2.522 20 0 DFADRP CC[N@@H+]1CC[C@H]([NH2+]CCc2cc(F)c(F)c(F)c2)[C@H](C)C1 ZINC000162302650 426059924 /nfs/dbraw/zinc/05/99/24/426059924.db2.gz QHQFXYWURBFKSQ-ABAIWWIYSA-N 2 0 300.368 2.966 20 0 DFADRP Cc1nccn1CCC[N@H+]1CCN(Cc2ccccc2)C[C@H]1C ZINC000127352786 426062685 /nfs/dbraw/zinc/06/26/85/426062685.db2.gz GVILWXYPXGASKB-QGZVFWFLSA-N 2 0 312.461 2.788 20 0 DFADRP CCn1cc([C@@H](C)[NH2+]Cc2ccc(OCC[NH+](C)C)cc2)cn1 ZINC000162490606 426066324 /nfs/dbraw/zinc/06/63/24/426066324.db2.gz RUHPHRUEMWUTQT-OAHLLOKOSA-N 2 0 316.449 2.694 20 0 DFADRP Fc1cc(C[NH2+][C@H]2CCN(C3CC3)C2)ccc1Br ZINC000127447300 426066633 /nfs/dbraw/zinc/06/66/33/426066633.db2.gz HXSFKYXQUBVPRI-NSHDSACASA-N 2 0 313.214 2.915 20 0 DFADRP CC(C)[C@H](C(=O)Nc1ccc(CC[NH+]2CCCC2)cc1)[NH+](C)C ZINC000108450527 426016757 /nfs/dbraw/zinc/01/67/57/426016757.db2.gz IVOYEJIKBPJILP-GOSISDBHSA-N 2 0 317.477 2.850 20 0 DFADRP C[N@@H+](CCc1ccc2c(c1)CCO2)CC[C@@H]1CCCC[NH+]1C ZINC000075860428 426088074 /nfs/dbraw/zinc/08/80/74/426088074.db2.gz MSRJACBVHBZMTA-SFHVURJKSA-N 2 0 302.462 2.970 20 0 DFADRP c1ccc(NC[C@@H]2CCN(Cc3nc4ccccc4[nH]3)C2)nc1 ZINC000128258221 426109024 /nfs/dbraw/zinc/10/90/24/426109024.db2.gz CZBGGKGBPZMGAD-AWEZNQCLSA-N 2 0 307.401 2.892 20 0 DFADRP CCc1ccc([C@@H](C)[NH2+]CCCN2CCC[N@H+](C)CC2)cc1 ZINC000128259941 426110074 /nfs/dbraw/zinc/11/00/74/426110074.db2.gz XJMFGWWVYMMZIV-QGZVFWFLSA-N 2 0 303.494 2.927 20 0 DFADRP COc1ccc([C@H](C)[NH2+]CCCN2CCC[N@H+](C)CC2)cc1F ZINC000128303011 426111241 /nfs/dbraw/zinc/11/12/41/426111241.db2.gz AUXJIGDYNCASDG-HNNXBMFYSA-N 2 0 323.456 2.513 20 0 DFADRP CC1CC[NH+](Cc2ccc(NC(=O)[C@@H]3CC[C@H]([NH3+])C3)cc2)CC1 ZINC000164558751 426115199 /nfs/dbraw/zinc/11/51/99/426115199.db2.gz URYKRWHKKYHBJE-SJORKVTESA-N 2 0 315.461 2.984 20 0 DFADRP CC[C@@H](NCCC[N@H+](C)Cc1ccccc1)c1cnn(C)c1 ZINC000162741112 426074948 /nfs/dbraw/zinc/07/49/48/426074948.db2.gz FDKUCANKZJTGQH-GOSISDBHSA-N 2 0 300.450 2.983 20 0 DFADRP CC[NH+]1CCN([C@H](C)C[NH2+]C[C@@H](C)c2ccc(F)cc2)CC1 ZINC000127593118 426075126 /nfs/dbraw/zinc/07/51/26/426075126.db2.gz YUXHWRUXHRAECI-HZPDHXFCSA-N 2 0 307.457 2.545 20 0 DFADRP CCN1CC[NH+](CCCC[NH2+]C[C@H](C)c2ccc(F)cc2)CC1 ZINC000127590248 426075482 /nfs/dbraw/zinc/07/54/82/426075482.db2.gz ZWUDUWWEIZETOE-KRWDZBQOSA-N 2 0 321.484 2.937 20 0 DFADRP CCOc1ccccc1OCC[N@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000075766423 426082269 /nfs/dbraw/zinc/08/22/69/426082269.db2.gz MCUWDYNZOGHDMZ-INIZCTEOSA-N 2 0 306.450 2.738 20 0 DFADRP c1coc([C@H](CN[C@H]2CC[N@@H+]3CCC[C@@H]3C2)[NH+]2CCCC2)c1 ZINC000127749432 426084236 /nfs/dbraw/zinc/08/42/36/426084236.db2.gz SIYOOCZCCSSWQI-BBWFWOEESA-N 2 0 303.450 2.633 20 0 DFADRP c1cnn(CCCCC[N@@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)c1 ZINC000075834300 426086565 /nfs/dbraw/zinc/08/65/65/426086565.db2.gz SSMZEOQTLGAENE-SFHVURJKSA-N 2 0 304.482 2.861 20 0 DFADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1[NH2+]CCc1cnn(-c2ccccc2)c1 ZINC000130390080 426158123 /nfs/dbraw/zinc/15/81/23/426158123.db2.gz NCNNQFPUIAGKBY-GJYPPUQNSA-N 2 0 312.461 2.733 20 0 DFADRP Cn1cc(C[NH+]2CCC(C[N@H+](C)Cc3ccccc3)CC2)cn1 ZINC000171384309 426186923 /nfs/dbraw/zinc/18/69/23/426186923.db2.gz NGHOZJCHLWLVJW-UHFFFAOYSA-N 2 0 312.461 2.764 20 0 DFADRP CC[C@@]1(C(=O)Nc2ccc(CC[NH+]3CCCC3)cc2)CCC[NH2+]1 ZINC000134579611 426188564 /nfs/dbraw/zinc/18/85/64/426188564.db2.gz MZJMUFSSYNRXER-IBGZPJMESA-N 2 0 315.461 2.796 20 0 DFADRP CC1CC[NH+](CCN2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)CC1 ZINC000134906711 426198999 /nfs/dbraw/zinc/19/89/99/426198999.db2.gz BFLLMVVMAHLTGP-MJGOQNOKSA-N 2 0 305.510 2.667 20 0 DFADRP CC(C)[NH+]1CCC(NC(=O)C[NH+]2CCC(C(C)(C)C)CC2)CC1 ZINC000172031418 426221261 /nfs/dbraw/zinc/22/12/61/426221261.db2.gz FMTMOOYTXLYAQN-UHFFFAOYSA-N 2 0 323.525 2.734 20 0 DFADRP CCC[C@H](C(=O)NCc1cccc(C[NH+]2CCCC2)c1)[NH+](C)C ZINC000135640486 426225153 /nfs/dbraw/zinc/22/51/53/426225153.db2.gz HPSJMLSOYRYQAE-GOSISDBHSA-N 2 0 317.477 2.629 20 0 DFADRP C[C@@H]1CC[N@H+](Cc2cccc3c2OCCO3)C[C@@H]1n1ccnc1 ZINC000136085564 426234969 /nfs/dbraw/zinc/23/49/69/426234969.db2.gz KZYTVGHAZLNCFC-ZBFHGGJFSA-N 2 0 313.401 2.737 20 0 DFADRP C[C@H]1C[C@@H](NC2CC[NH+](Cc3ccccc3)CC2)CC[N@@H+]1C ZINC000174514319 426259669 /nfs/dbraw/zinc/25/96/69/426259669.db2.gz MBBLXPVEYUQWOP-LPHOPBHVSA-N 2 0 301.478 2.723 20 0 DFADRP CC[N@@H+]1CC[C@H](NC[C@@H]2CCC[NH+]2Cc2ccccc2)[C@H](C)C1 ZINC000119110512 426262349 /nfs/dbraw/zinc/26/23/49/426262349.db2.gz IZTBVOJDZCALAA-HOJAQTOUSA-N 2 0 315.505 2.971 20 0 DFADRP C[C@H]([NH2+]C1CCN(CC[NH+](C)C)CC1)c1ccc2c(c1)CCC2 ZINC000150961621 426268750 /nfs/dbraw/zinc/26/87/50/426268750.db2.gz XSVIMAITLUZYND-INIZCTEOSA-N 2 0 315.505 2.852 20 0 DFADRP C[C@H](NC(=O)Nc1cccc(C[NH+](C)C)c1)C(C)(C)C[NH+](C)C ZINC000119268669 426273398 /nfs/dbraw/zinc/27/33/98/426273398.db2.gz CVYKULADLXWTNB-AWEZNQCLSA-N 2 0 320.481 2.846 20 0 DFADRP CC(C)Oc1ccc([C@@H](C)NC[C@H](O)C[NH+]2CCCCC2)cc1 ZINC000151314170 426289748 /nfs/dbraw/zinc/28/97/48/426289748.db2.gz PNAKBVIHOBOTFQ-AEFFLSMTSA-N 2 0 320.477 2.971 20 0 DFADRP OCC[NH+]1CCC(C[NH2+][C@H]2CCSc3ccc(F)cc32)CC1 ZINC000151786259 426311999 /nfs/dbraw/zinc/31/19/99/426311999.db2.gz LQAWBIKXUFZKPT-INIZCTEOSA-N 2 0 324.465 2.657 20 0 DFADRP C[C@@H]1CCc2c(F)cccc2[C@H]1[NH2+]CC1CC[NH+](CCO)CC1 ZINC000151794790 426312424 /nfs/dbraw/zinc/31/24/24/426312424.db2.gz JUZIMCFZYMWCPH-KUHUBIRLSA-N 2 0 320.452 2.743 20 0 DFADRP CC[C@@H]([NH2+]CC1CC[NH+](CCO)CC1)c1cc(F)ccc1F ZINC000151817435 426313773 /nfs/dbraw/zinc/31/37/73/426313773.db2.gz QRBPPBJECCIPTG-QGZVFWFLSA-N 2 0 312.404 2.710 20 0 DFADRP CCc1ccc([C@H](C)[NH2+]C[C@@H](C)CN2CC[NH+](CC)CC2)o1 ZINC000121401417 426340147 /nfs/dbraw/zinc/34/01/47/426340147.db2.gz HLQAPAYXDCUCNW-CVEARBPZSA-N 2 0 307.482 2.766 20 0 DFADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+][C@@H](C)c2cccnc2Cl)CC1 ZINC000121196584 426323223 /nfs/dbraw/zinc/32/32/23/426323223.db2.gz SJSIOOWYMJUKKZ-GJZGRUSLSA-N 2 0 324.900 2.659 20 0 DFADRP C[N@@H+]1CCC[C@H](CNC2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000121206784 426324188 /nfs/dbraw/zinc/32/41/88/426324188.db2.gz APPYQIAGPPNYQY-LJQANCHMSA-N 2 0 315.505 2.625 20 0 DFADRP C[NH+]1CCC(C[NH2+][C@H]2CCCN(Cc3ccccc3)C2)CC1 ZINC000121198521 426324487 /nfs/dbraw/zinc/32/44/87/426324487.db2.gz ZODCGBZPFCEISP-IBGZPJMESA-N 2 0 301.478 2.582 20 0 DFADRP C[NH+]1CCC(C[NH2+][C@@H]2CCCN(Cc3ccccc3)C2)CC1 ZINC000121198375 426324542 /nfs/dbraw/zinc/32/45/42/426324542.db2.gz ZODCGBZPFCEISP-LJQANCHMSA-N 2 0 301.478 2.582 20 0 DFADRP COc1cc([C@@H](C)[NH2+]C[C@@H]2CCC[N@H+](C)C2)cc(OC)c1OC ZINC000121214959 426325578 /nfs/dbraw/zinc/32/55/78/426325578.db2.gz BGCLXYIUVUFBNK-KGLIPLIRSA-N 2 0 322.449 2.705 20 0 DFADRP CC[N@@H+]1CC[C@H]([NH2+]Cc2ccc(Cn3ccnc3)cc2)[C@H](C)C1 ZINC000152100677 426326394 /nfs/dbraw/zinc/32/63/94/426326394.db2.gz KELYJCMRHCTKGU-APWZRJJASA-N 2 0 312.461 2.751 20 0 DFADRP CC[N@@H+]1CC[C@H]([NH2+]CC2([C@H](O)c3ccccc3)CC2)[C@H](C)C1 ZINC000090770564 426330491 /nfs/dbraw/zinc/33/04/91/426330491.db2.gz BLRSWYDUWXNKCX-BPQIPLTHSA-N 2 0 302.462 2.820 20 0 DFADRP C[C@H](C(=O)N1CCC[C@@H]1C[NH+]1CCCCC1)[NH+]1CCCCCC1 ZINC000175953490 426340799 /nfs/dbraw/zinc/34/07/99/426340799.db2.gz WHMSGYCRTCZOGF-QZTJIDSGSA-N 2 0 321.509 2.728 20 0 DFADRP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@H](C)c2cccc(C)c2)CC1 ZINC000121381861 426338261 /nfs/dbraw/zinc/33/82/61/426338261.db2.gz WMVNWUHDNCKSIP-QZTJIDSGSA-N 2 0 303.494 2.919 20 0 DFADRP C[C@@H]1CCCC[C@H]1[NH2+]C[C@H](O)CN1CCc2ccccc2C1 ZINC000119302513 426276931 /nfs/dbraw/zinc/27/69/31/426276931.db2.gz VUCNCAPJBPSMBK-AYOQOUSVSA-N 2 0 302.462 2.574 20 0 DFADRP C[C@H]([NH2+]CCCn1ccnc1)c1cccc(OCC[NH+](C)C)c1 ZINC000151123391 426279048 /nfs/dbraw/zinc/27/90/48/426279048.db2.gz HLYBJUJZCJTPRD-INIZCTEOSA-N 2 0 316.449 2.564 20 0 DFADRP CC(C)C[C@@H](CO)[NH2+][C@H](C)c1cccc(OCC[NH+](C)C)c1 ZINC000151190606 426282643 /nfs/dbraw/zinc/28/26/43/426282643.db2.gz XGUIPOIWQQOIEK-WBVHZDCISA-N 2 0 308.466 2.685 20 0 DFADRP C[C@@H](C(=O)N1CCC(C[NH+]2CCCC2)CC1)[NH+]1[C@H](C)CC[C@H]1C ZINC000175180937 426285865 /nfs/dbraw/zinc/28/58/65/426285865.db2.gz LPOJTNOMVSLQFH-ZACQAIPSSA-N 2 0 321.509 2.582 20 0 DFADRP C[C@@H]([NH2+]C[C@H](O)C[NH+]1CCCCC1)C(C)(C)c1ccccc1 ZINC000151252903 426286334 /nfs/dbraw/zinc/28/63/34/426286334.db2.gz WOTDWAXHPDLFSW-AEFFLSMTSA-N 2 0 304.478 2.789 20 0 DFADRP Cc1cccc2c1[C@H](C)C[C@@H]2[NH2+]C[C@@H](C)N1CC[NH+](C)CC1 ZINC000153617710 426395596 /nfs/dbraw/zinc/39/55/96/426395596.db2.gz UZLQLJNYXVHKTI-NUJGCVRESA-N 2 0 301.478 2.769 20 0 DFADRP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]CC(C)(C)c1ccc2c(c1)OCCO2 ZINC000122879289 426399998 /nfs/dbraw/zinc/39/99/98/426399998.db2.gz BEVUUBUCVSQMOF-ZBFHGGJFSA-N 2 0 318.461 2.665 20 0 DFADRP Cc1ccccc1C1(C[NH2+][C@@H]2CC[N@@H+](C)C[C@@H]2C)CCOCC1 ZINC000152412580 426343021 /nfs/dbraw/zinc/34/30/21/426343021.db2.gz QGDMOPOFAITONE-PKOBYXMFSA-N 2 0 316.489 2.973 20 0 DFADRP Cc1ccc2ncc(C[NH+]3CCC(C[NH+]4CCCC4)CC3)n2c1 ZINC000152695335 426350179 /nfs/dbraw/zinc/35/01/79/426350179.db2.gz XDCMIQBYXFDOFM-UHFFFAOYSA-N 2 0 312.461 2.951 20 0 DFADRP C[NH+](C)C1(CNC(=O)c2ccc3c[nH+]cn3c2)CCCCCC1 ZINC000339891091 268912462 /nfs/dbraw/zinc/91/24/62/268912462.db2.gz XGZGWXFYELPZRR-UHFFFAOYSA-N 2 0 314.433 2.719 20 0 DFADRP C[C@@H](Cc1ccc(Br)cc1)[NH2+]CC1CC[NH2+]CC1 ZINC000094009888 426360269 /nfs/dbraw/zinc/36/02/69/426360269.db2.gz ZKSVBZMGRSBAML-LBPRGKRZSA-N 2 0 311.267 2.969 20 0 DFADRP CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000176291320 426367872 /nfs/dbraw/zinc/36/78/72/426367872.db2.gz NLFJCPKMBOPZTP-QGZVFWFLSA-N 2 0 318.465 2.696 20 0 DFADRP C[C@H](Cn1cccn1)[NH2+]CC1CC[NH+](Cc2cccs2)CC1 ZINC000122336176 426370699 /nfs/dbraw/zinc/37/06/99/426370699.db2.gz NUQVTXYRVUUXQK-OAHLLOKOSA-N 2 0 318.490 2.835 20 0 DFADRP C[C@H](C[NH2+][C@H](C)c1ccc2c(c1)CCC2)CN1CCOCC1 ZINC000153168127 426373613 /nfs/dbraw/zinc/37/36/13/426373613.db2.gz LGVMPLHDSODNHZ-HZPDHXFCSA-N 2 0 302.462 2.794 20 0 DFADRP C[C@H]([NH2+]Cc1ccccc1OCC[NH+](C)C)C1CCOCC1 ZINC000122408559 426373999 /nfs/dbraw/zinc/37/39/99/426373999.db2.gz SLUMRGJAZXVKQP-HNNXBMFYSA-N 2 0 306.450 2.532 20 0 DFADRP C[C@H]1C[C@H]([NH2+]CC2(c3ccccc3)CCOCC2)CC[N@@H+]1C ZINC000153582478 426393359 /nfs/dbraw/zinc/39/33/59/426393359.db2.gz RQWLUOJBGANLOK-FUHWJXTLSA-N 2 0 302.462 2.807 20 0 DFADRP CC[N@@H+]1CC[C@@H](NCCC[NH+]2CCc3ccccc3C2)[C@H](C)C1 ZINC000122771220 426393619 /nfs/dbraw/zinc/39/36/19/426393619.db2.gz VQVPEPVIDAPFJZ-YLJYHZDGSA-N 2 0 315.505 2.755 20 0 DFADRP COCC[N@H+](C)CCCC1CC[NH+](Cc2ccc(C)nc2)CC1 ZINC000153978396 426415879 /nfs/dbraw/zinc/41/58/79/426415879.db2.gz HWCLELNWAPCAKZ-UHFFFAOYSA-N 2 0 319.493 2.960 20 0 DFADRP CCCCCNC(=O)[C@H](C)[NH+]1CCC(CCC[NH+](C)C)CC1 ZINC000123203484 426419751 /nfs/dbraw/zinc/41/97/51/426419751.db2.gz PIRPLEUXKBJSCV-INIZCTEOSA-N 2 0 311.514 2.735 20 0 DFADRP Cc1ccc([C@@H](CN[C@@H]2CC[N@H+](C)[C@H](C)C2)[NH+]2CCCC2)o1 ZINC000154015826 426420384 /nfs/dbraw/zinc/42/03/84/426420384.db2.gz PXRHZTPUEKLCHQ-DJIMGWMZSA-N 2 0 305.466 2.797 20 0 DFADRP COCCOc1ccc(C[NH2+][C@H]2C[C@H](C)[N@H+](C)C[C@H]2C)cc1 ZINC000154074833 426423464 /nfs/dbraw/zinc/42/34/64/426423464.db2.gz KJCXSWGOAPGEMO-VKJFTORMSA-N 2 0 306.450 2.530 20 0 DFADRP CC(C)[C@H](CCO)[NH2+][C@H](C)c1ccc(OCC[NH+](C)C)cc1 ZINC000123513537 426438517 /nfs/dbraw/zinc/43/85/17/426438517.db2.gz JWLWOLTZGCPRIP-QAPCUYQASA-N 2 0 308.466 2.685 20 0 DFADRP COCCC[N@H+](CCc1ccc(OC)cc1)C[C@]1(C)CC[NH2+]C1 ZINC000340706116 269001896 /nfs/dbraw/zinc/00/18/96/269001896.db2.gz FYLYYVINWKIPAZ-LJQANCHMSA-N 2 0 320.477 2.576 20 0 DFADRP C[C@@H](C(=O)NCC[N@H+]1[C@H](C)CCC[C@@H]1C)[NH+]1[C@H](C)CC[C@H]1C ZINC000341430846 269076140 /nfs/dbraw/zinc/07/61/40/269076140.db2.gz QFEJPNSUUIQMOL-JJTUDDRGSA-N 2 0 309.498 2.627 20 0 DFADRP CCC[NH+](CCC)CCCC(=O)N[C@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000177216896 426454955 /nfs/dbraw/zinc/45/49/55/426454955.db2.gz SHXHNFMVYGMDPI-HOTGVXAUSA-N 2 0 309.498 2.630 20 0 DFADRP C[C@@H]([NH2+]CCCC[NH+]1CCN(Cc2ccccc2)CC1)C1CC1 ZINC000177228796 426457157 /nfs/dbraw/zinc/45/71/57/426457157.db2.gz ABRMGLHUKIZDPG-GOSISDBHSA-N 2 0 315.505 2.973 20 0 DFADRP CC[N@H+](C)Cc1cccc(C[NH2+][C@H]2C[C@H](C)[NH+](C)C[C@@H]2C)c1 ZINC000123935418 426462086 /nfs/dbraw/zinc/46/20/86/426462086.db2.gz CNGQMXDZHMQNAK-BXWFABGCSA-N 3 0 303.494 2.957 20 0 DFADRP C[C@@H]1CCC[C@@H](C[NH2+]Cc2cccnc2N2CC[NH+](C)CC2)C1 ZINC000124124184 426471473 /nfs/dbraw/zinc/47/14/73/426471473.db2.gz ZNEORTCJFCHUKI-IAGOWNOFSA-N 2 0 316.493 2.749 20 0 DFADRP CN(C)CC[NH+]1CCC(C[NH2+][C@H]2CCc3ccccc32)CC1 ZINC000124369354 426481959 /nfs/dbraw/zinc/48/19/59/426481959.db2.gz GCJSPLAYLKXODP-IBGZPJMESA-N 2 0 301.478 2.537 20 0 DFADRP C[C@@H](C[C@@H]1CCCN1C(=O)OC(C)(C)C)[NH2+]CCC[NH+](C)C ZINC000177482056 426482428 /nfs/dbraw/zinc/48/24/28/426482428.db2.gz MFFKWTOMBMPKEE-GJZGRUSLSA-N 2 0 313.486 2.706 20 0 DFADRP CC[NH+]1CCN(CCC[NH2+][C@@H](c2cccnc2)C2CCC2)CC1 ZINC000280147861 426507751 /nfs/dbraw/zinc/50/77/51/426507751.db2.gz ADNGTTHMFGCOAM-LJQANCHMSA-N 2 0 316.493 2.540 20 0 DFADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1[NH2+]C1CCC(O)(c2cccnc2)CC1 ZINC000186342143 426509051 /nfs/dbraw/zinc/50/90/51/426509051.db2.gz OFTYRISJOGXEKX-CNCYXEHGSA-N 2 0 317.477 2.530 20 0 DFADRP CCO[C@@H]1C[C@H]([NH2+]CCC2CC[NH+](CC)CC2)C12CCOCC2 ZINC000186360599 426512733 /nfs/dbraw/zinc/51/27/33/426512733.db2.gz RQIBPYYAQNEYMD-ZWKOTPCHSA-N 2 0 324.509 2.672 20 0 DFADRP C[NH+](C)CCN1CCC([NH2+][C@@H]2CCCNc3ccccc32)CC1 ZINC000186405416 426521880 /nfs/dbraw/zinc/52/18/80/426521880.db2.gz BDANXNIRWTXYRR-LJQANCHMSA-N 2 0 316.493 2.549 20 0 DFADRP CCc1ccc([C@@H](C)[NH2+][C@H](C)CCN2CC[NH+](C)CC2)cc1 ZINC000186576358 426554789 /nfs/dbraw/zinc/55/47/89/426554789.db2.gz OCICDNREGUOUTP-IAGOWNOFSA-N 2 0 303.494 2.926 20 0 DFADRP OCc1ccc(C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)cc1 ZINC000272498603 426540396 /nfs/dbraw/zinc/54/03/96/426540396.db2.gz NQXOYQPRFCTPEZ-MJGOQNOKSA-N 2 0 300.446 2.628 20 0 DFADRP C/C=C/C[C@H](CO)[NH2+][C@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000186510247 426540474 /nfs/dbraw/zinc/54/04/74/426540474.db2.gz YKPORBWMBCVVTD-VJKLRJNGSA-N 2 0 314.473 2.814 20 0 DFADRP CC[NH+]1CCN([C@H]2CC[N@H+](Cc3cc4ccccc4o3)C2)CC1 ZINC000177930999 426542006 /nfs/dbraw/zinc/54/20/06/426542006.db2.gz BVNGPXQHBSAGCP-KRWDZBQOSA-N 2 0 313.445 2.645 20 0 DFADRP C[C@H]([NH2+]CC1(O)CCCC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272554934 426555291 /nfs/dbraw/zinc/55/52/91/426555291.db2.gz TVCZRAVREMHHHC-WMZOPIPTSA-N 2 0 302.462 2.792 20 0 DFADRP COc1ccc(OC)c(CC[NH2+][C@@H]2C[C@@H](C)[N@H+](C)C[C@H]2C)c1 ZINC000177956122 426545972 /nfs/dbraw/zinc/54/59/72/426545972.db2.gz DHEFZULVKBHMQS-CKEIUWERSA-N 2 0 306.450 2.565 20 0 DFADRP C[C@@H]1C[NH+](CCC2CC[NH+](CCOCC3CC3)CC2)C[C@@H](C)O1 ZINC000177484598 426489280 /nfs/dbraw/zinc/48/92/80/426489280.db2.gz WJPKVXVRIMSXML-IAGOWNOFSA-N 2 0 324.509 2.624 20 0 DFADRP C[C@@H](C(=O)N1CCCCCC1)[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000194738540 426491938 /nfs/dbraw/zinc/49/19/38/426491938.db2.gz AERPNHHTRYXLGE-KRWDZBQOSA-N 2 0 321.509 2.585 20 0 DFADRP COCC[N@H+](C)CCCC1CCN(c2cc[nH+]c(C)c2)CC1 ZINC000186277206 426499033 /nfs/dbraw/zinc/49/90/33/426499033.db2.gz ZHUFMCMPJZSQBT-UHFFFAOYSA-N 2 0 305.466 2.965 20 0 DFADRP Cn1ncc2c1CCC[C@@H]2[NH2+]C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000195138582 426502958 /nfs/dbraw/zinc/50/29/58/426502958.db2.gz HVCBCXRSRLBUMO-HKUYNNGSSA-N 2 0 324.472 2.909 20 0 DFADRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+][C@@H](C)CCc1ccccc1F ZINC000186574795 426554316 /nfs/dbraw/zinc/55/43/16/426554316.db2.gz JPIJGSRYIHPNOQ-DLBZAZTESA-N 2 0 321.484 2.762 20 0 DFADRP C[C@@H]1CCCC[N@@H+]1CCC1CC[NH+](CCn2cccn2)CC1 ZINC000178388047 426620620 /nfs/dbraw/zinc/62/06/20/426620620.db2.gz YWMKYRJTMIOSHW-QGZVFWFLSA-N 2 0 304.482 2.860 20 0 DFADRP CC(C)[C@](C)(O)C[NH2+][C@@H](C)c1cccc(OCC[NH+](C)C)c1 ZINC000178116561 426574478 /nfs/dbraw/zinc/57/44/78/426574478.db2.gz OYQZLRNZCIGZMT-MAUKXSAKSA-N 2 0 308.466 2.685 20 0 DFADRP Cc1nccn1C[C@@H]1CCC[N@H+]1[C@@H](C)C(=O)Nc1ccccc1 ZINC000178299002 426600883 /nfs/dbraw/zinc/60/08/83/426600883.db2.gz RQAXYAMXHZWCOK-YOEHRIQHSA-N 2 0 312.417 2.683 20 0 DFADRP C[C@@H]([NH2+]CC1(O)CCCC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272554922 426555891 /nfs/dbraw/zinc/55/58/91/426555891.db2.gz TVCZRAVREMHHHC-AEFFLSMTSA-N 2 0 302.462 2.792 20 0 DFADRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+][C@@H](C)Cc1ccc(Cl)cc1 ZINC000186606145 426563033 /nfs/dbraw/zinc/56/30/33/426563033.db2.gz JPIUXXRUNBEARD-CVEARBPZSA-N 2 0 323.912 2.887 20 0 DFADRP CC(C)[C@@H](Cc1ccccc1)[NH2+]CCCN1CCC[N@H+](C)CC1 ZINC000187168186 426635283 /nfs/dbraw/zinc/63/52/83/426635283.db2.gz ILBLSQMJDZXEKT-HXUWFJFHSA-N 2 0 317.521 2.871 20 0 DFADRP C[N@@H+]1CCCC[C@@H]1CCN[C@@H](C[S@@](C)=O)c1ccccc1 ZINC000273308527 426639747 /nfs/dbraw/zinc/63/97/47/426639747.db2.gz NBBVXALJVHODKM-LLGFUMIMSA-N 2 0 308.491 2.570 20 0 DFADRP C[NH2+]C[C@H](C)C(=O)Nc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000178742177 426686622 /nfs/dbraw/zinc/68/66/22/426686622.db2.gz OQMZBWFURGGWNP-HNNXBMFYSA-N 2 0 303.450 2.857 20 0 DFADRP C[C@H]([NH2+]Cc1ccnc(OCC[NH+](C)C)c1)C1CCSCC1 ZINC000187409070 426657600 /nfs/dbraw/zinc/65/76/00/426657600.db2.gz NKJHDSMXPCPIAZ-AWEZNQCLSA-N 2 0 323.506 2.643 20 0 DFADRP COc1cc2c(cc1F)[nH+]ccc2N1C[C@@H](C)[C@@H]([NH+](C)C)C1 ZINC000280820201 426663144 /nfs/dbraw/zinc/66/31/44/426663144.db2.gz XXLWJWKVNPQSDK-BZNIZROVSA-N 2 0 303.381 2.769 20 0 DFADRP C[C@H]([NH2+]CC1CC[NH+](Cc2ccccc2)CC1)[C@@H]1CCOC1 ZINC000178634645 426668207 /nfs/dbraw/zinc/66/82/07/426668207.db2.gz CKBDGDMXVWJRED-QFBILLFUSA-N 2 0 302.462 2.913 20 0 DFADRP CCC(CC)(C[NH3+])C(=O)N1CCC[N@H+](CC2CCCCC2)CC1 ZINC000236641563 426668947 /nfs/dbraw/zinc/66/89/47/426668947.db2.gz ONVXALBQHTZSCO-UHFFFAOYSA-N 2 0 323.525 2.866 20 0 DFADRP CC(C)[N@H+](C)Cc1ccccc1CNC(=O)[C@@H]1CCC[NH2+][C@@H]1C ZINC000289644644 426671588 /nfs/dbraw/zinc/67/15/88/426671588.db2.gz CCWQYTZJEVTPQA-CRAIPNDOSA-N 2 0 317.477 2.531 20 0 DFADRP CC(C)[C@H](C[NH2+]C1CC(c2ccccc2)C1)N1CC[NH+](C)CC1 ZINC000236672344 426673654 /nfs/dbraw/zinc/67/36/54/426673654.db2.gz NTOAGDNULOLIBK-MHJFOBGBSA-N 2 0 315.505 2.794 20 0 DFADRP CC[C@@H]1[NH2+]CC[C@H]1C(=O)NCc1cccc(C[N@H+](C)C(C)C)c1 ZINC000289864223 426674841 /nfs/dbraw/zinc/67/48/41/426674841.db2.gz GRACLFODBRHARE-MSOLQXFVSA-N 2 0 317.477 2.531 20 0 DFADRP CCC[NH+]1CCC([NH2+]C[C@@]2(CO)C[C@H]2c2ccccc2)CC1 ZINC000289855584 426675129 /nfs/dbraw/zinc/67/51/29/426675129.db2.gz QSXMSJDXBFRCAI-RBUKOAKNSA-N 2 0 302.462 2.617 20 0 DFADRP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@H](C)c2sc(C)nc2C)CC1 ZINC000178693577 426676714 /nfs/dbraw/zinc/67/67/14/426676714.db2.gz FCVOWODNLXZZPP-ZIAGYGMSSA-N 2 0 324.538 2.684 20 0 DFADRP C[NH2+]CCCC(=O)NC[C@@H](c1ccccc1)[NH+]1CCC(C)CC1 ZINC000237176587 426690422 /nfs/dbraw/zinc/69/04/22/426690422.db2.gz DNUQCFULNLFDOT-SFHVURJKSA-N 2 0 317.477 2.575 20 0 DFADRP C[C@H]1C[N@H+](CCCN[C@H](c2cncc(F)c2)C2CC2)CCCO1 ZINC000281475933 426720161 /nfs/dbraw/zinc/72/01/61/426720161.db2.gz FLNXZDNSWZIPEX-KSSFIOAISA-N 2 0 321.440 2.762 20 0 DFADRP COC[C@H]([NH2+]CCCC[NH+]1CCC(C)CC1)C1CCOCC1 ZINC000187778767 426693681 /nfs/dbraw/zinc/69/36/81/426693681.db2.gz YZIOGTJGTLPJRI-SFHVURJKSA-N 2 0 312.498 2.530 20 0 DFADRP CC[C@H](C[NH2+]C1CCN(CCc2ccc(F)cc2)CC1)OC ZINC000290108396 426695078 /nfs/dbraw/zinc/69/50/78/426695078.db2.gz ILJMNLRDHJACSB-GOSISDBHSA-N 2 0 308.441 2.847 20 0 DFADRP C[NH+]1CCC(O)(C[NH2+][C@@H]2CCCc3c(Cl)cccc32)CC1 ZINC000273621794 426697388 /nfs/dbraw/zinc/69/73/88/426697388.db2.gz ZHGGVVPHHHBUCO-MRXNPFEDSA-N 2 0 308.853 2.764 20 0 DFADRP CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]1[NH2+]C[C@H]1CC[N@@H+](C2CC2)C1 ZINC000245918909 426782252 /nfs/dbraw/zinc/78/22/52/426782252.db2.gz XFHDWLZRFZQIMV-FVQBIDKESA-N 2 0 323.481 2.506 20 0 DFADRP C[C@@H]1OCC[C@H]1[NH2+][C@H]1[C@H](C)C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000245952531 426787184 /nfs/dbraw/zinc/78/71/84/426787184.db2.gz PRLRLUXOSZMLPW-HRAJDOBDSA-N 2 0 302.462 2.910 20 0 DFADRP CC[C@H]([NH2+]CC1CC[NH+](CCO)CC1)c1cc(C)ccc1OC ZINC000179425516 426788030 /nfs/dbraw/zinc/78/80/30/426788030.db2.gz YVXZLJZYIAAAQV-SFHVURJKSA-N 2 0 320.477 2.749 20 0 DFADRP CC[C@H](C[NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]12)OC ZINC000290245496 426724028 /nfs/dbraw/zinc/72/40/28/426724028.db2.gz SWSUYVCDZLMQCQ-AKHDSKFASA-N 2 0 302.462 2.912 20 0 DFADRP COc1ccc([C@H]2CCC[N@@H+]2CC2CC[NH2+]CC2)cc1OC ZINC000178956823 426725884 /nfs/dbraw/zinc/72/58/84/426725884.db2.gz VIRINCCEEQWSIT-MRXNPFEDSA-N 2 0 304.434 2.840 20 0 DFADRP COc1ccc(CC2CC[NH+](CC3CC[NH2+]CC3)CC2)cc1 ZINC000178971152 426727635 /nfs/dbraw/zinc/72/76/35/426727635.db2.gz PJEOUWRWWDUPJV-UHFFFAOYSA-N 2 0 302.462 2.949 20 0 DFADRP C[C@H]1C[C@@H]([N@H+](C)CC2CC[NH2+]CC2)CCN1Cc1ccccc1 ZINC000178981128 426729142 /nfs/dbraw/zinc/72/91/42/426729142.db2.gz LEVKKLICUPPOLG-PXNSSMCTSA-N 2 0 315.505 2.971 20 0 DFADRP COc1ccc(C[N@@H+]2CCC[C@H]3C[NH+](C)CC[C@@H]32)cc1OC ZINC000290290479 426733501 /nfs/dbraw/zinc/73/35/01/426733501.db2.gz AGRLHUGJRUPLNB-HOTGVXAUSA-N 2 0 304.434 2.620 20 0 DFADRP COc1cccc(CN2CCC[C@H]3C[N@H+](C)CC[C@@H]32)c1OC ZINC000290340660 426744227 /nfs/dbraw/zinc/74/42/27/426744227.db2.gz FKPGSFVRAVJYQG-HOCLYGCPSA-N 2 0 304.434 2.620 20 0 DFADRP COc1cccc(CN2CCC[C@@H]3C[N@H+](C)CC[C@@H]32)c1OC ZINC000290340676 426745710 /nfs/dbraw/zinc/74/57/10/426745710.db2.gz FKPGSFVRAVJYQG-ZBFHGGJFSA-N 2 0 304.434 2.620 20 0 DFADRP CN(CCCn1ccnc1)Cc1c(Cl)nc2ccccn21 ZINC000290430440 426761744 /nfs/dbraw/zinc/76/17/44/426761744.db2.gz LGJQINGYZLTPOW-UHFFFAOYSA-N 2 0 303.797 2.706 20 0 DFADRP CCC[C@H](C(=O)NCCCC[NH+]1C[C@H](C)C[C@@H](C)C1)[NH+](C)C ZINC000245705803 426765632 /nfs/dbraw/zinc/76/56/32/426765632.db2.gz RVPPUXIXCQCLBP-BRWVUGGUSA-N 2 0 311.514 2.591 20 0 DFADRP Cc1cc(C[NH+](C)C)cc(NC(=O)[C@@H]2CC[NH2+][C@@H]2C(C)C)c1 ZINC000290581127 426797487 /nfs/dbraw/zinc/79/74/87/426797487.db2.gz NUAUKQHNAIKVGM-IAGOWNOFSA-N 2 0 303.450 2.629 20 0 DFADRP CCC[C@H](C(=O)N[C@H](C)[C@H](c1ccccc1)[NH+](C)C)[NH+](C)C ZINC000274596555 426798761 /nfs/dbraw/zinc/79/87/61/426798761.db2.gz LNQNKAZEOHOXMK-DJIMGWMZSA-N 2 0 305.466 2.524 20 0 DFADRP CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)[C@@H]2CCC[C@@H]([NH3+])C2)C1 ZINC000246197638 426808649 /nfs/dbraw/zinc/80/86/49/426808649.db2.gz DPPHCHQNGJFPQO-BZUAXINKSA-N 2 0 309.498 2.521 20 0 DFADRP C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)C[C@@H]([NH3+])c2ccccc2)C1 ZINC000246222217 426811143 /nfs/dbraw/zinc/81/11/43/426811143.db2.gz BMLSHGRBQOFJJN-JFIYKMOQSA-N 2 0 317.477 2.561 20 0 DFADRP CCC[N@H+](C)C[C@H]1CCN([C@H](C)c2ccc(C(=O)OC)o2)C1 ZINC000267030587 426813787 /nfs/dbraw/zinc/81/37/87/426813787.db2.gz AUYCMDWKFMVDEP-ZIAGYGMSSA-N 2 0 308.422 2.791 20 0 DFADRP CC(C)[NH+]1CCC(C(=O)N2CCC(CCC[NH+](C)C)CC2)CC1 ZINC000179833249 426819674 /nfs/dbraw/zinc/81/96/74/426819674.db2.gz VMDALLDWKZLRSS-UHFFFAOYSA-N 2 0 323.525 2.687 20 0 DFADRP CC[N@@H+]1CC[C@H]([NH2+]CCc2nnc(-c3ccccc3)o2)[C@@H](C)C1 ZINC000246373516 426824706 /nfs/dbraw/zinc/82/47/06/426824706.db2.gz JMQOTWCQEZLPGE-HOCLYGCPSA-N 2 0 314.433 2.599 20 0 DFADRP CC[NH+]1CCN([C@H]2CC[N@H+](CC(C)(C)c3ccccc3)C2)CC1 ZINC000180069053 426833689 /nfs/dbraw/zinc/83/36/89/426833689.db2.gz ZQZKWPPQOVLXGA-IBGZPJMESA-N 2 0 315.505 2.676 20 0 DFADRP COc1ccc([C@H]([NH2+]C[C@H](O)C[NH+]2CCCCC2)C(C)C)cc1 ZINC000180044365 426833867 /nfs/dbraw/zinc/83/38/67/426833867.db2.gz JCKFIBRGHWAWEP-PKOBYXMFSA-N 2 0 320.477 2.829 20 0 DFADRP C[N@@H+]1CCC[C@@H]1CNC1C[C@H]2CC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC000180115188 426834930 /nfs/dbraw/zinc/83/49/30/426834930.db2.gz QGKRXWPERKMZBT-RAFMOHDBSA-N 2 0 313.489 2.866 20 0 DFADRP C[N@@H+]1CCN(CC[NH2+][C@@H]2CCC[C@H]2c2ccccc2)CC1(C)C ZINC000282141657 426837905 /nfs/dbraw/zinc/83/79/05/426837905.db2.gz CCCMWIWUFJMWMQ-RBUKOAKNSA-N 2 0 315.505 2.938 20 0 DFADRP Cc1cccc([C@@H](C)[NH2+]CCN2CC[N@H+](C)C(C)(C)C2)c1C ZINC000282156192 426842155 /nfs/dbraw/zinc/84/21/55/426842155.db2.gz DCAUSIAURRYDGR-QGZVFWFLSA-N 2 0 303.494 2.980 20 0 DFADRP CC[C@H](C)[C@@H]([NH3+])C(=O)NCC(C)(C)[NH2+][C@H](C)c1ccccc1 ZINC000246531393 426843204 /nfs/dbraw/zinc/84/32/04/426843204.db2.gz RVRVPGHSBWWTGY-SQWLQELKSA-N 2 0 305.466 2.605 20 0 DFADRP C[NH+](C)[C@@H]1CCC[C@H](NC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC000246543916 426844014 /nfs/dbraw/zinc/84/40/14/426844014.db2.gz YDZVERHYMSJHFF-XYJFISCASA-N 2 0 321.509 2.630 20 0 DFADRP CC[N@H+](C)Cc1cccc(C[NH2+]Cc2c[nH]c3nccnc23)c1 ZINC000290834960 426850484 /nfs/dbraw/zinc/85/04/84/426850484.db2.gz IHRCJFAMHJXLOI-UHFFFAOYSA-N 2 0 309.417 2.699 20 0 DFADRP C[C@@H]([NH2+]CCCC[N@@H+]1CCC[C@H]1CO)c1ccc(Cl)cn1 ZINC000274861344 426853895 /nfs/dbraw/zinc/85/38/95/426853895.db2.gz CYMAKXALPJSOIU-HIFRSBDPSA-N 2 0 311.857 2.623 20 0 DFADRP CC[N@H+](C)[C@H](C(=O)N[C@H]1CCC[C@H]([NH+](C)C)C1)c1ccccc1 ZINC000267281393 426862942 /nfs/dbraw/zinc/86/29/42/426862942.db2.gz KVJLVMDDNZZNEW-BZSNNMDCSA-N 2 0 317.477 2.668 20 0 DFADRP C[N@@H+]1CCN(CC[NH2+][C@@H]2CCCc3ccccc32)CC1(C)C ZINC000282255615 426864650 /nfs/dbraw/zinc/86/46/50/426864650.db2.gz JSEJTQWHMDNLRN-GOSISDBHSA-N 2 0 301.478 2.680 20 0 DFADRP Cn1cc(-c2ccc(C[NH2+]C[C@@H]3CC[N@@H+](C4CC4)C3)s2)cn1 ZINC000282320122 426880660 /nfs/dbraw/zinc/88/06/60/426880660.db2.gz UCVOLDFNVYULGF-ZDUSSCGKSA-N 2 0 316.474 2.723 20 0 DFADRP C[C@H]1CC[N@H+](Cc2cn(C)nc2C(C)(C)C)C[C@@H]1n1ccnc1 ZINC000180720288 426881441 /nfs/dbraw/zinc/88/14/41/426881441.db2.gz MWDMHZCMLXQFRJ-HOCLYGCPSA-N 2 0 315.465 2.997 20 0 DFADRP Cc1cccc(C[NH2+]C2CCN(C3CC[NH+](C)CC3)CC2)c1F ZINC000295264030 426883361 /nfs/dbraw/zinc/88/33/61/426883361.db2.gz VETQIUWOEMJWGK-UHFFFAOYSA-N 2 0 319.468 2.782 20 0 DFADRP Cc1noc(C)c1C[C@H](C)[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000291479135 426890543 /nfs/dbraw/zinc/89/05/43/426890543.db2.gz QOGDQQIGUSRCPM-ZDUSSCGKSA-N 2 0 314.433 2.876 20 0 DFADRP CC[C@H]([NH2+][C@H](C)CCN1CC[NH+](C)CC1)c1cccc(F)c1 ZINC000275673698 426891800 /nfs/dbraw/zinc/89/18/00/426891800.db2.gz HNAXWMRUEWOBGD-QAPCUYQASA-N 2 0 307.457 2.892 20 0 DFADRP Cc1n[nH]cc1C[N@H+](Cc1ccsc1)[C@H]1CC12CC[NH2+]CC2 ZINC000275681504 426895351 /nfs/dbraw/zinc/89/53/51/426895351.db2.gz MIVQMYCCTWTTTP-INIZCTEOSA-N 2 0 316.474 2.924 20 0 DFADRP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)c1sccc1CN(C)C ZINC000268042584 426898804 /nfs/dbraw/zinc/89/88/04/426898804.db2.gz QMRVSRXRKDCGEF-KGLIPLIRSA-N 2 0 323.506 2.660 20 0 DFADRP Clc1cc(CN[C@@H]2CC[N@@H+]3CCC[C@H]3C2)cc2c1OCCO2 ZINC000337648104 426898948 /nfs/dbraw/zinc/89/89/48/426898948.db2.gz YZQZTBOIUCNSHE-KGLIPLIRSA-N 2 0 322.836 2.828 20 0 DFADRP CC[C@H](C(=O)NC[C@@H]1CCC[N@H+](C)[C@H]1c1cccs1)[NH+](C)C ZINC000247148436 426908508 /nfs/dbraw/zinc/90/85/08/426908508.db2.gz WTTBMLOZKOXUAE-SQWLQELKSA-N 2 0 323.506 2.587 20 0 DFADRP Cc1ccccc1-c1noc(CN(C)CC[C@H]([NH3+])C(C)C)n1 ZINC000317120691 426953564 /nfs/dbraw/zinc/95/35/64/426953564.db2.gz HNKKMIDOGQRPOZ-HNNXBMFYSA-N 2 0 302.422 2.850 20 0 DFADRP C[C@@H]1C[N@@H+](CCCC[NH2+][C@@H]2[C@@H]3CCCO[C@@H]3C2(C)C)C[C@H](C)O1 ZINC000181616211 426968051 /nfs/dbraw/zinc/96/80/51/426968051.db2.gz OBAZCYPDKLYCOL-RZFLPCETSA-N 2 0 324.509 2.669 20 0 DFADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CCc2ccccc2)[C@@H](C)C1 ZINC000248055981 426978051 /nfs/dbraw/zinc/97/80/51/426978051.db2.gz XJWLJQIFVFTGKV-PKOBYXMFSA-N 2 0 304.478 2.956 20 0 DFADRP CC(C)([NH3+])CCC(=O)NCC1([NH+]2CCCCC2)CCCCC1 ZINC000315980010 426942645 /nfs/dbraw/zinc/94/26/45/426942645.db2.gz OEHJSIWLJITQRA-UHFFFAOYSA-N 2 0 309.498 2.809 20 0 DFADRP C[C@H]([NH2+]Cc1ccccc1C[N@@H+]1CC[C@@H](O)C1)c1ccoc1 ZINC000248457796 427005650 /nfs/dbraw/zinc/00/56/50/427005650.db2.gz UEXNWHATSNJQAC-KBXCAEBGSA-N 2 0 300.402 2.697 20 0 DFADRP Cc1cc(C)c(C[NH2+]CC2(O)CC[NH+](C(C)C)CC2)c(C)c1 ZINC000268436631 427016935 /nfs/dbraw/zinc/01/69/35/427016935.db2.gz QIUQWRAXTFDFKW-UHFFFAOYSA-N 2 0 304.478 2.937 20 0 DFADRP Cc1cncc([C@H](C)[NH2+]CCCC[NH+]2C[C@H](C)O[C@@H](C)C2)c1 ZINC000248713395 427035574 /nfs/dbraw/zinc/03/55/74/427035574.db2.gz JYERLNJRTNSYEV-ULQDDVLXSA-N 2 0 305.466 2.930 20 0 DFADRP C[C@H](C1CC1)[NH+](C[C@@H](O)C[N@@H+]([C@@H](C)C1CC1)C1CC1)C1CC1 ZINC000248734865 427036608 /nfs/dbraw/zinc/03/66/08/427036608.db2.gz MRDGBIXUBYADJC-HBCWATKFSA-N 2 0 306.494 2.873 20 0 DFADRP C[C@H]([NH2+]Cc1ccccc1C[N@@H+]1CCC[C@@H]1CO)C1CCC1 ZINC000182247684 427036842 /nfs/dbraw/zinc/03/68/42/427036842.db2.gz XRMVLGQDEJPYAE-HNAYVOBHSA-N 2 0 302.462 2.922 20 0 DFADRP C[C@@H]([NH2+]Cc1ccccc1C[N@@H+]1CCC[C@@H]1CO)C1CCC1 ZINC000182247707 427037510 /nfs/dbraw/zinc/03/75/10/427037510.db2.gz XRMVLGQDEJPYAE-DNVCBOLYSA-N 2 0 302.462 2.922 20 0 DFADRP C[NH+](C)C1CCN(CC[NH2+]Cc2ccc3c(c2)CCCC3)CC1 ZINC000291979041 427045097 /nfs/dbraw/zinc/04/50/97/427045097.db2.gz RPKXCVXOOIKVMF-UHFFFAOYSA-N 2 0 315.505 2.681 20 0 DFADRP CC[NH+]1CCC(Nc2cccc(N3CC[NH+](CC)CC3)c2)CC1 ZINC000276432181 427065555 /nfs/dbraw/zinc/06/55/55/427065555.db2.gz PZCDUEXJUHSEHC-UHFFFAOYSA-N 2 0 316.493 2.725 20 0 DFADRP CC(C)OC(=O)c1ccc(CN2CC[C@@]3(CC[N@H+](C)C3)C2)cc1 ZINC000292037588 427067161 /nfs/dbraw/zinc/06/71/61/427067161.db2.gz AAUPOMIURLCJHF-LJQANCHMSA-N 2 0 316.445 2.779 20 0 DFADRP CCO[C@@H]1C[C@@H]([NH2+]C[C@H](C)C[NH+]2CCCCC2)C12CCOCC2 ZINC000249001125 427072655 /nfs/dbraw/zinc/07/26/55/427072655.db2.gz MZYWNSMZTYJAON-RCCFBDPRSA-N 2 0 324.509 2.672 20 0 DFADRP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@H]2CCC[C@H]2CCCF)CC1 ZINC000337990090 427076735 /nfs/dbraw/zinc/07/67/35/427076735.db2.gz SLYSGEKNHITHIU-SQNIBIBYSA-N 2 0 313.505 2.768 20 0 DFADRP CCO[C@@H]1C[C@@H]([NH2+]CCC[N@@H+]2CCCC[C@H]2C)C12CCOCC2 ZINC000249035766 427078413 /nfs/dbraw/zinc/07/84/13/427078413.db2.gz TZUGRGSOKQNDJA-KZNAEPCWSA-N 2 0 324.509 2.815 20 0 DFADRP CC1CC[NH+](C[C@H](O)C[NH2+][C@@H]2CCC[C@H]2CCCF)CC1 ZINC000337994685 427082358 /nfs/dbraw/zinc/08/23/58/427082358.db2.gz HAEYBYKGQBSVKX-GVDBMIGSSA-N 2 0 300.462 2.587 20 0 DFADRP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(OC3CC[NH+](C)CC3)cc2)CCO1 ZINC000283825792 427083923 /nfs/dbraw/zinc/08/39/23/427083923.db2.gz DNBISZAPVQIZKK-WBVHZDCISA-N 2 0 318.461 2.817 20 0 DFADRP CO[C@@H]1CC[C@H]([NH2+][C@H](C)c2cccc(OCC[NH+](C)C)c2)C1 ZINC000249063239 427083980 /nfs/dbraw/zinc/08/39/80/427083980.db2.gz PZGQHVQFRBDEEC-HYVNUMGLSA-N 2 0 306.450 2.845 20 0 DFADRP C[C@H](C[NH2+][C@H]1CC[C@@H](Cc2ccccc2)C1)N1CC[NH+](C)CC1 ZINC000249105376 427089710 /nfs/dbraw/zinc/08/97/10/427089710.db2.gz LCJHVEAZCJLOKE-HOJAQTOUSA-N 2 0 315.505 2.623 20 0 DFADRP C[C@@H]1C[C@@H](NCC(C)(C)[NH+](C)C)CC[N@@H+]1Cc1ccccc1 ZINC000268701096 427093800 /nfs/dbraw/zinc/09/38/00/427093800.db2.gz FPSVIKRINAQEDY-AEFFLSMTSA-N 3 0 303.494 2.969 20 0 DFADRP C[C@H]([NH2+]CCC[NH+]1CCCCC1)c1ccc2c(c1)CC(=O)N2C ZINC000268701290 427094091 /nfs/dbraw/zinc/09/40/91/427094091.db2.gz ABJCIDSWDZBVFC-HNNXBMFYSA-N 2 0 315.461 2.732 20 0 DFADRP O[C@]1(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)CCC[C@H](C(F)(F)F)C1 ZINC000249209227 427097297 /nfs/dbraw/zinc/09/72/97/427097297.db2.gz XFEMXRRZSYQHTL-LJISPDSOSA-N 2 0 320.399 2.686 20 0 DFADRP COCCOCCC[NH2+][C@@H]1CCN(Cc2ccccc2)C[C@H]1C ZINC000268708074 427098381 /nfs/dbraw/zinc/09/83/81/427098381.db2.gz CMOXYQXWPPUAME-IEBWSBKVSA-N 2 0 320.477 2.540 20 0 DFADRP CC[NH+]1CCN([C@H](C)C[NH2+][C@H]2CCC[C@@H](C(F)(F)F)C2)CC1 ZINC000249281872 427103215 /nfs/dbraw/zinc/10/32/15/427103215.db2.gz NTUGEOQJMWFLDW-KFWWJZLASA-N 2 0 321.431 2.723 20 0 DFADRP CC[N@@H+]1CC[C@@H](C[NH2+][C@H](C)c2ccc3c(c2)OCCCO3)C1 ZINC000249383470 427110101 /nfs/dbraw/zinc/11/01/01/427110101.db2.gz VTSODIWNQJSNBT-CABCVRRESA-N 2 0 304.434 2.840 20 0 DFADRP C[C@@H](C(=O)N(C)CC[N@H+](C)C1CCCCC1)[NH+]1[C@H](C)CC[C@H]1C ZINC000338053800 427117807 /nfs/dbraw/zinc/11/78/07/427117807.db2.gz IXRFJZWXQUEKKT-ZACQAIPSSA-N 2 0 323.525 2.971 20 0 DFADRP C[C@H]([NH2+]C(C)(C)CNC(=O)CC[C@@H]1CCC[NH2+]1)c1ccccc1 ZINC000292034489 427063578 /nfs/dbraw/zinc/06/35/78/427063578.db2.gz HFXJWOYVUYVPEB-RDJZCZTQSA-N 2 0 317.477 2.764 20 0 DFADRP CC1CC[NH+](C[C@@H]2CCC[N@H+](CCCn3ccnc3)C2)CC1 ZINC000182742641 427135035 /nfs/dbraw/zinc/13/50/35/427135035.db2.gz NJZHUYLEZOYDGO-GOSISDBHSA-N 2 0 304.482 2.717 20 0 DFADRP CSC[C@](C)(O)C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000268978013 427141939 /nfs/dbraw/zinc/14/19/39/427141939.db2.gz CJFYVTXHKKCCOL-BPQIPLTHSA-N 2 0 322.518 2.743 20 0 DFADRP C[C@H](CNC(=O)c1ccc(C[NH+](C)C)cc1)[N@@H+]1CCC[C@@H](C)C1 ZINC000249740774 427142596 /nfs/dbraw/zinc/14/25/96/427142596.db2.gz IUXNNIPJJBQFKH-HZPDHXFCSA-N 2 0 317.477 2.598 20 0 DFADRP CCC1(CO)CC[NH+](Cc2cn(-c3cc[nH+]cc3)nc2C)CC1 ZINC000329726300 427163629 /nfs/dbraw/zinc/16/36/29/427163629.db2.gz DUAYQGDMADJMPB-UHFFFAOYSA-N 2 0 314.433 2.560 20 0 DFADRP CCN(C)c1ccc(C[NH2+]C2CC(C)(C)[NH2+]C(C)(C)C2)cn1 ZINC000190695615 427162256 /nfs/dbraw/zinc/16/22/56/427162256.db2.gz WBMQPLFMMZSLDH-UHFFFAOYSA-N 2 0 304.482 2.937 20 0 DFADRP C[NH+](C)Cc1cccc(CNC(=O)[C@@H]2CCCCCC[C@@H]2[NH3+])c1 ZINC000164418362 271092639 /nfs/dbraw/zinc/09/26/39/271092639.db2.gz LTPIJYCCNBDIRO-MSOLQXFVSA-N 2 0 317.477 2.662 20 0 DFADRP C[NH+](C)Cc1cccc(CNC(=O)[C@H]2CCCCCC[C@H]2[NH3+])c1 ZINC000164418587 271093661 /nfs/dbraw/zinc/09/36/61/271093661.db2.gz LTPIJYCCNBDIRO-ZWKOTPCHSA-N 2 0 317.477 2.662 20 0 DFADRP CC1CC[NH+](CCCCNC(=O)[C@@H]2CCCCCC[C@@H]2[NH3+])CC1 ZINC000165098130 271094782 /nfs/dbraw/zinc/09/47/82/271094782.db2.gz QNYXMEXGAPFNGL-MSOLQXFVSA-N 2 0 323.525 2.912 20 0 DFADRP C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)C(C)(C)C[NH3+] ZINC000164590421 271095040 /nfs/dbraw/zinc/09/50/40/271095040.db2.gz CZVXLFGGGIQXMA-OAHLLOKOSA-N 2 0 317.477 2.662 20 0 DFADRP CC(C)[C@H]([NH3+])C(=O)NCc1cccc(C[NH+]2CCCCCC2)c1 ZINC000166413499 271096037 /nfs/dbraw/zinc/09/60/37/271096037.db2.gz DFNIGLRKBYKJMV-SFHVURJKSA-N 2 0 317.477 2.662 20 0 DFADRP Cc1ccccc1CCC[N@@H+](C)CC1CC[NH+](C[C@@H](C)O)CC1 ZINC000175905420 271161182 /nfs/dbraw/zinc/16/11/82/271161182.db2.gz CGJLHQUUKHTLDA-GOSISDBHSA-N 2 0 318.505 2.952 20 0 DFADRP C[C@H](CC[NH+](C)C)[NH2+]C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000227658545 271236869 /nfs/dbraw/zinc/23/68/69/271236869.db2.gz RHWIMFZABFLCNF-CABCVRRESA-N 2 0 313.486 2.563 20 0 DFADRP C[NH+](C)CCCC[NH2+]C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000227658512 271237308 /nfs/dbraw/zinc/23/73/08/271237308.db2.gz RJGLMDXZFFOMIV-HNNXBMFYSA-N 2 0 313.486 2.565 20 0 DFADRP C[N@H+](CCNC(=O)[C@@H]1CCCCCC[C@@H]1[NH3+])C1CCCCC1 ZINC000237143882 271244635 /nfs/dbraw/zinc/24/46/35/271244635.db2.gz JNGIZTZAVJQEGV-SJORKVTESA-N 2 0 309.498 2.665 20 0 DFADRP O=C(NC[C@H]1CCC[NH2+]C1)c1ccc(Nc2cc[nH+]cc2)cc1 ZINC000237996386 271254861 /nfs/dbraw/zinc/25/48/61/271254861.db2.gz AWLVWOMHHDMTQJ-AWEZNQCLSA-N 2 0 310.401 2.555 20 0 DFADRP C[C@@H]([NH2+]CCCN1CCC[N@H+](C)CC1)[C@@H]1C[C@H]1c1ccccc1 ZINC000282681544 271333417 /nfs/dbraw/zinc/33/34/17/271333417.db2.gz AAKOTQJMVYSWCL-HOJAQTOUSA-N 2 0 315.505 2.796 20 0 DFADRP CC1CC[NH+](CCN2CC[N@H+](C)[C@H](Cc3ccccc3)C2)CC1 ZINC000284915803 271340787 /nfs/dbraw/zinc/34/07/87/271340787.db2.gz XOPZDGHPAGHKAM-HXUWFJFHSA-N 2 0 315.505 2.577 20 0 DFADRP C[C@H]1C[C@H]([NH2+]C2CCC3(CC2)c2ccccc2NC3=O)CC[NH2+]1 ZINC000333344099 271371804 /nfs/dbraw/zinc/37/18/04/271371804.db2.gz YUTKJOFFOQOZEU-MLBPIDQTSA-N 2 0 313.445 2.549 20 0 DFADRP CC(=O)Nc1ccc([C@@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc1 ZINC000296404578 427173058 /nfs/dbraw/zinc/17/30/58/427173058.db2.gz KQWMUCANGFALRG-UBBHGXQRSA-N 2 0 301.434 2.921 20 0 DFADRP CC[NH+](CC)Cc1ccc(C(=O)N[C@H](C)CC[NH+](C)C)cc1 ZINC000338177993 427175681 /nfs/dbraw/zinc/17/56/81/427175681.db2.gz TYMDTHMOSNIWGJ-OAHLLOKOSA-N 2 0 305.466 2.598 20 0 DFADRP C[N@@H+]1CC[C@@H](NCCC[NH+]2CCCCC2)[C@@H]1c1ccccc1 ZINC000284318885 427179940 /nfs/dbraw/zinc/17/99/40/427179940.db2.gz POQDRDGQBQGDQR-MOPGFXCFSA-N 2 0 301.478 2.897 20 0 DFADRP C[C@H](CCCO)C[NH2+][C@H]1CCN(Cc2ccccc2)C[C@H]1C ZINC000296464536 427188866 /nfs/dbraw/zinc/18/88/66/427188866.db2.gz NMONENNVOMMWBH-LMMKCTJWSA-N 2 0 304.478 2.895 20 0 DFADRP Cc1ccccc1NC(=O)CC[N@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000277399549 427190744 /nfs/dbraw/zinc/19/07/44/427190744.db2.gz ZKLLKXSYKBEBCJ-MRXNPFEDSA-N 2 0 303.450 2.740 20 0 DFADRP CC[N@@H+]1CC[C@@H]([NH+](C)CCC(=O)Nc2ccc(F)cc2)[C@@H](C)C1 ZINC000252652486 427191323 /nfs/dbraw/zinc/19/13/23/427191323.db2.gz QREFSQKLAAAKAX-WMLDXEAASA-N 2 0 321.440 2.816 20 0 DFADRP Cc1ccccc1NC(=O)CC[N@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000277399547 427191489 /nfs/dbraw/zinc/19/14/89/427191489.db2.gz ZKLLKXSYKBEBCJ-INIZCTEOSA-N 2 0 303.450 2.740 20 0 DFADRP CC(C)CN(C(=O)c1ccc2c[nH+]cn2c1)C1CC[NH+](C)CC1 ZINC000284369751 427191676 /nfs/dbraw/zinc/19/16/76/427191676.db2.gz OKHSUFRIOYUYEI-UHFFFAOYSA-N 2 0 314.433 2.527 20 0 DFADRP Cc1ccc(C[NH+]2CCC(CC[NH+]3CCOCC3)CC2)cc1 ZINC000338221039 427198847 /nfs/dbraw/zinc/19/88/47/427198847.db2.gz NAYACRKRNHMWDY-UHFFFAOYSA-N 2 0 302.462 2.929 20 0 DFADRP O[C@@H](Cc1ccc(F)cc1)C[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000292767211 427199918 /nfs/dbraw/zinc/19/99/18/427199918.db2.gz JIYOLOLUJZRZOI-HKUYNNGSSA-N 2 0 320.452 2.537 20 0 DFADRP C[NH+](C)CCCN[C@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000183125320 427203969 /nfs/dbraw/zinc/20/39/69/427203969.db2.gz QHIWHKFTZVHMAI-UFYCRDLUSA-N 2 0 315.505 2.828 20 0 DFADRP COCCC[NH2+][C@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000183125190 427204876 /nfs/dbraw/zinc/20/48/76/427204876.db2.gz MGILUHUJROSGMX-FHWLQOOXSA-N 2 0 302.462 2.913 20 0 DFADRP C[N@H+](Cc1ccccc1)C1CCC([NH2+][C@H]2CCC[C@@H]2O)CC1 ZINC000285162702 427207614 /nfs/dbraw/zinc/20/76/14/427207614.db2.gz MQBNJIDHCQLMPX-BTRQGYIVSA-N 2 0 302.462 2.933 20 0 DFADRP c1cnn(CC[NH2+][C@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)c1 ZINC000183149775 427210115 /nfs/dbraw/zinc/21/01/15/427210115.db2.gz HCZLPAZYDSNBDM-AQNXPRMDSA-N 2 0 324.472 2.773 20 0 DFADRP Nc1cc(CN2CC[C@]3(CC[N@H+](Cc4ccccc4)C3)C2)ccn1 ZINC000285415543 427228252 /nfs/dbraw/zinc/22/82/52/427228252.db2.gz DHJLDHSCXPDSIY-FQEVSTJZSA-N 2 0 322.456 2.762 20 0 DFADRP CC(C)[NH+]1CCC(N2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000269632013 427234698 /nfs/dbraw/zinc/23/46/98/427234698.db2.gz IDHZIMZEMLZUAU-UHFFFAOYSA-N 2 0 301.478 2.677 20 0 DFADRP C[C@H]1C[C@@H]([NH2+][C@@H]2CCN(c3ccc(Cl)cc3)C2)CCN1C ZINC000183334298 427248445 /nfs/dbraw/zinc/24/84/45/427248445.db2.gz FSWQMBSJDCJMJM-CWRNSKLLSA-N 2 0 307.869 2.991 20 0 DFADRP C[N@H+](CCCO)C1CC[NH+](C[C@@H]2CCCC(F)(F)C2)CC1 ZINC000338309748 427252294 /nfs/dbraw/zinc/25/22/94/427252294.db2.gz WFCPZUDJPFRIKW-CQSZACIVSA-N 2 0 304.425 2.591 20 0 DFADRP C(CO[C@H]1CCCCO1)C[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000338314191 427256485 /nfs/dbraw/zinc/25/64/85/427256485.db2.gz IKUZNTIVMNGUTF-MSOLQXFVSA-N 2 0 310.482 2.728 20 0 DFADRP CC[NH+](CC)CCCN1C[C@@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000338341128 427264323 /nfs/dbraw/zinc/26/43/23/427264323.db2.gz CTFDCSWCUWAMLF-WOJBJXKFSA-N 2 0 315.505 2.782 20 0 DFADRP C[C@H](C1CCCCC1)[N@H+](C)CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000338357191 427276428 /nfs/dbraw/zinc/27/64/28/427276428.db2.gz NREIUZZHWFBWEZ-OAHLLOKOSA-N 2 0 321.509 2.630 20 0 DFADRP CCOC(=O)C1CCC([N@H+](CC)CC[C@@H]2CCC[NH+]2C)CC1 ZINC000338364769 427278309 /nfs/dbraw/zinc/27/83/09/427278309.db2.gz FEEYQWBHMKLDDB-CGZBRXJRSA-N 2 0 310.482 2.915 20 0 DFADRP Cc1cnn(C)c1C[NH2+]CC1CC[NH+](Cc2cccs2)CC1 ZINC000285577302 427278793 /nfs/dbraw/zinc/27/87/93/427278793.db2.gz WTESWWLPYLBHBD-UHFFFAOYSA-N 2 0 318.490 2.792 20 0 DFADRP CC[C@H](C)[C@@H]([NH3+])C(=O)N1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000262147981 427352456 /nfs/dbraw/zinc/35/24/56/427352456.db2.gz QRLOKGSBZVYCIA-LZLYRXPVSA-N 2 0 323.525 2.863 20 0 DFADRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@@H](C)c1cnn(C(C)(C)C)c1C ZINC000191334028 427321428 /nfs/dbraw/zinc/32/14/28/427321428.db2.gz PTKVPPRPNYGNCA-GOEBONIOSA-N 2 0 324.513 2.954 20 0 DFADRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@H](C)c1cnn(C(C)(C)C)c1C ZINC000191334060 427321773 /nfs/dbraw/zinc/32/17/73/427321773.db2.gz PTKVPPRPNYGNCA-GDBMZVCRSA-N 2 0 324.513 2.954 20 0 DFADRP COc1ccc2c(c1)C[C@@H]([NH2+]C1CC[NH+](C(C)(C)C)CC1)CO2 ZINC000297115494 427334038 /nfs/dbraw/zinc/33/40/38/427334038.db2.gz YHKWIBKGPBWCJD-MRXNPFEDSA-N 2 0 318.461 2.851 20 0 DFADRP CC[N@H+](CCCN1CC[NH+](C(C)C)CC1)Cc1ccccc1 ZINC000191387251 427338232 /nfs/dbraw/zinc/33/82/32/427338232.db2.gz USCJOWFZKHWMBJ-UHFFFAOYSA-N 2 0 303.494 2.925 20 0 DFADRP CC(C)[NH+]1CCN(CCC[N@H+](C)Cc2cccc(F)c2)CC1 ZINC000191405262 427341976 /nfs/dbraw/zinc/34/19/76/427341976.db2.gz NONUIKIGZKWJRP-UHFFFAOYSA-N 2 0 307.457 2.674 20 0 DFADRP Fc1ccc(C[N@H+](CC2CC[NH2+]CC2)C2CCOCC2)cc1 ZINC000261915529 427344199 /nfs/dbraw/zinc/34/41/99/427344199.db2.gz JUXWDERLCKFOSO-UHFFFAOYSA-N 2 0 306.425 2.806 20 0 DFADRP O=C(NC[C@H]1CCC[N@H+](CC2CCCCCC2)C1)[C@@H]1CCC[NH2+]1 ZINC000261890025 427344326 /nfs/dbraw/zinc/34/43/26/427344326.db2.gz NQKSPOBBWQZVST-MSOLQXFVSA-N 2 0 321.509 2.537 20 0 DFADRP CCc1ccccc1C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C ZINC000277866693 427344352 /nfs/dbraw/zinc/34/43/52/427344352.db2.gz ARSIAJHDGXRSPC-UHFFFAOYSA-N 2 0 319.493 2.595 20 0 DFADRP Cc1nc2ccccc2n1C1CC[NH+](C[C@H]2CCC[NH2+]C2)CC1 ZINC000261999294 427348026 /nfs/dbraw/zinc/34/80/26/427348026.db2.gz TXDXIQXYJDGTNW-INIZCTEOSA-N 2 0 312.461 2.981 20 0 DFADRP Cc1ccc(C[N@@H+]2CC[C@]3(CC[NH2+]C3)C2)c(-c2cnn(C)c2)c1 ZINC000262053786 427350944 /nfs/dbraw/zinc/35/09/44/427350944.db2.gz QMKPCOCWLAHYJQ-IBGZPJMESA-N 2 0 310.445 2.581 20 0 DFADRP C[C@@H](CCCC[NH3+])NC(=O)[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000293327422 427288192 /nfs/dbraw/zinc/28/81/92/427288192.db2.gz IUYHHODMYUMNIX-FUHWJXTLSA-N 2 0 317.477 2.675 20 0 DFADRP CCN(C)c1ccc(C[NH+]2CCC(C[NH+]3CCCC3)CC2)cn1 ZINC000191229019 427292772 /nfs/dbraw/zinc/29/27/72/427292772.db2.gz LMQJLGNDAYCAAW-UHFFFAOYSA-N 2 0 316.493 2.846 20 0 DFADRP COC(=O)c1ccccc1CN(C)C1CC[NH+](C(C)C)CC1 ZINC000271024554 427374702 /nfs/dbraw/zinc/37/47/02/427374702.db2.gz CTJLDXPGLNTXGQ-UHFFFAOYSA-N 2 0 304.434 2.778 20 0 DFADRP CC[NH+](CC)CCO[C@H]1CC[N@H+](C[C@H](OC)c2ccccc2)C1 ZINC000338549511 427375024 /nfs/dbraw/zinc/37/50/24/427375024.db2.gz RRQOQEFNCRZPPN-OALUTQOASA-N 2 0 320.477 2.807 20 0 DFADRP C[N@@H+]1CCC[C@]2(CCN(Cc3cnc4ccc(Cl)cn34)C2)C1 ZINC000293617923 427381491 /nfs/dbraw/zinc/38/14/91/427381491.db2.gz KNLFORYFXKUSHX-KRWDZBQOSA-N 2 0 318.852 2.905 20 0 DFADRP CCOc1ccccc1OCC[N@H+](C)CCCn1ccnc1C ZINC000271037965 427382479 /nfs/dbraw/zinc/38/24/79/427382479.db2.gz RZGHOQILEZSMCE-UHFFFAOYSA-N 2 0 317.433 2.991 20 0 DFADRP C[C@@H](NCc1cn(C(C)(C)C)nn1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000191580152 427382459 /nfs/dbraw/zinc/38/24/59/427382459.db2.gz YBPXBIDFMASCBY-HUUCEWRRSA-N 2 0 319.497 2.776 20 0 DFADRP Cc1nccnc1CC[NH2+][C@H]1C[C@@H](C)CN(Cc2ccccc2)C1 ZINC000293650376 427393954 /nfs/dbraw/zinc/39/39/54/427393954.db2.gz MZLARGOGEMVRJL-APWZRJJASA-N 2 0 324.472 2.828 20 0 DFADRP COc1ccc2c(c1)C[C@@H]([NH2+]Cc1ccc3c[nH+]cn3c1)CC2 ZINC000297649126 427419047 /nfs/dbraw/zinc/41/90/47/427419047.db2.gz XZGMKMGPLAHTKM-KRWDZBQOSA-N 2 0 307.397 2.990 20 0 DFADRP CCO[C@@H]1C[C@@H]([NH2+]Cc2cccc(C[NH+](C)C)c2)[C@H]1SC ZINC000297313115 427396942 /nfs/dbraw/zinc/39/69/42/427396942.db2.gz BWXIDTJWAIENJY-BRWVUGGUSA-N 2 0 308.491 2.747 20 0 DFADRP C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)[C@@H]2CCCC[C@]2(C)[NH3+])C1 ZINC000263055793 427404760 /nfs/dbraw/zinc/40/47/60/427404760.db2.gz UYYVFJWOROMVFR-VKJFTORMSA-N 2 0 309.498 2.521 20 0 DFADRP c1cn(-c2ccccc2)c(C[NH2+]CC2CC[NH+](C3CC3)CC2)n1 ZINC000278102588 427405888 /nfs/dbraw/zinc/40/58/88/427405888.db2.gz ACDUROHZZMPTAI-UHFFFAOYSA-N 2 0 310.445 2.836 20 0 DFADRP CC[N@@H+]1CC[C@H]([NH2+]CCc2cc(C(F)(F)F)ccn2)[C@H](C)C1 ZINC000293720754 427414008 /nfs/dbraw/zinc/41/40/08/427414008.db2.gz NQOPCOMYFMDEJW-DOMZBBRYSA-N 2 0 315.383 2.963 20 0 DFADRP CCC[N@H+](CCC(=O)N1CC[NH2+]CC1)[C@@H](CC)c1ccccc1 ZINC000262229386 427354122 /nfs/dbraw/zinc/35/41/22/427354122.db2.gz VEVZLHXWFYOYQP-SFHVURJKSA-N 2 0 317.477 2.672 20 0 DFADRP CCCCNC(=O)[C@@H]1CC[C@H](C)[N@H+](CCC[NH+](CC)CC)C1 ZINC000191462636 427355836 /nfs/dbraw/zinc/35/58/36/427355836.db2.gz CEDKHAJYSHOWLA-DLBZAZTESA-N 2 0 311.514 2.735 20 0 DFADRP COC(=O)[C@@H]1CCC[N@H+](Cc2ccc(-n3ccnc3)cc2C)C1 ZINC000191985114 427455442 /nfs/dbraw/zinc/45/54/42/427455442.db2.gz XUXPJMACZDCBDU-MRXNPFEDSA-N 2 0 313.401 2.566 20 0 DFADRP COc1ccc(C[C@@H](C)[NH2+]C[C@H]2CCCN2C)c(C)c1OC ZINC000286212489 427456456 /nfs/dbraw/zinc/45/64/56/427456456.db2.gz SBNCZTSIBSLUKM-CZUORRHYSA-N 2 0 306.450 2.627 20 0 DFADRP Cc1ccc(NC(=O)C[C@@H](C)[NH2+]C[C@@H](C)C[NH+](C)C)c(C)c1 ZINC000293874504 427474063 /nfs/dbraw/zinc/47/40/63/427474063.db2.gz YITQMZSGRQXHJP-GDBMZVCRSA-N 2 0 305.466 2.808 20 0 DFADRP Cc1ccc(NC(=O)C[C@H](C)[NH2+]C[C@H](C)C[NH+](C)C)c(C)c1 ZINC000293874514 427474376 /nfs/dbraw/zinc/47/43/76/427474376.db2.gz YITQMZSGRQXHJP-HOCLYGCPSA-N 2 0 305.466 2.808 20 0 DFADRP CC[N@H+](CCNC(=O)c1cccc(C[NH+]2CCCC2)c1)C(C)C ZINC000338767562 427476936 /nfs/dbraw/zinc/47/69/36/427476936.db2.gz OISWVDCFKBOLHP-UHFFFAOYSA-N 2 0 317.477 2.743 20 0 DFADRP C[C@@H]([NH3+])[C@H](C)C(=O)NCc1ccccc1C[N@@H+]1CCCC[C@@H]1C ZINC000192094060 427480419 /nfs/dbraw/zinc/48/04/19/427480419.db2.gz QHELQHLETSKYQJ-HRCADAONSA-N 2 0 317.477 2.661 20 0 DFADRP O[C@@H]1CCC[C@H]1[NH+]1CCC([NH2+]C(C2CCC2)C2CCC2)CC1 ZINC000338783665 427485990 /nfs/dbraw/zinc/48/59/90/427485990.db2.gz GBCFWZSFYRAMDT-QZTJIDSGSA-N 2 0 306.494 2.923 20 0 DFADRP C[C@@H](CNC(=O)CC1(C[NH3+])CCCCC1)[N@@H+]1CCC[C@H](C)C1 ZINC000184224324 427421064 /nfs/dbraw/zinc/42/10/64/427421064.db2.gz JKLHUIVAYKHNLO-HOTGVXAUSA-N 2 0 309.498 2.522 20 0 DFADRP CCCN(CC[NH+]1CCCCC1)C(=O)c1ccc2c[nH+]cn2c1 ZINC000286117470 427429424 /nfs/dbraw/zinc/42/94/24/427429424.db2.gz GJNWWNLHRKMEJN-UHFFFAOYSA-N 2 0 314.433 2.672 20 0 DFADRP C[C@@H]1C[N@H+](CCC[NH2+][C@@H]2CCc3cc(F)ccc32)CCCO1 ZINC000278363093 427431781 /nfs/dbraw/zinc/43/17/81/427431781.db2.gz BLWYNIWRVGCSTN-RDTXWAMCSA-N 2 0 306.425 2.904 20 0 DFADRP Cc1ccc([C@H](CNC(=O)[C@H]2CCCC[C@@]2(C)[NH3+])[NH+](C)C)cc1 ZINC000263217903 427440621 /nfs/dbraw/zinc/44/06/21/427440621.db2.gz LGCPIEXLSYZIFV-ZIFCJYIRSA-N 2 0 317.477 2.622 20 0 DFADRP C[C@@H]1C[C@H]([NH2+]C[C@@](C)(O)C(F)(F)F)CN1Cc1ccccc1 ZINC000271200225 427445273 /nfs/dbraw/zinc/44/52/73/427445273.db2.gz IPPPSPQMQFTSQO-VHDGCEQUSA-N 2 0 316.367 2.552 20 0 DFADRP CCOc1cc(C[N@H+](C)[C@@H]2CC[NH+](CC)C[C@H]2C)ccc1O ZINC000297990069 427498582 /nfs/dbraw/zinc/49/85/82/427498582.db2.gz YPRXNOLLAARTBO-GDBMZVCRSA-N 2 0 306.450 2.953 20 0 DFADRP CCC[N@H+](C)C[C@H]1CCN(CCC(=O)c2ccc(OC)cc2)C1 ZINC000286376283 427507565 /nfs/dbraw/zinc/50/75/65/427507565.db2.gz KEIUBZFMHGGDNP-MRXNPFEDSA-N 2 0 318.461 2.932 20 0 DFADRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@@H]1CCC[C@@H]([C@@H]2CCOC2)C1 ZINC000341401000 271822414 /nfs/dbraw/zinc/82/24/14/271822414.db2.gz KPJOZPLTZZVFHP-BRSBDYLESA-N 2 0 312.498 2.528 20 0 DFADRP C[C@H](CO)[NH2+][C@@H]1CCCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000278980515 427521502 /nfs/dbraw/zinc/52/15/02/427521502.db2.gz PJPBJRBHFDTRAX-NXWXRZEISA-N 2 0 302.462 2.648 20 0 DFADRP C[C@H](CO)CCC[NH2+][C@@H](C)c1ccc(OCC[NH+](C)C)cc1 ZINC000271454708 427544615 /nfs/dbraw/zinc/54/46/15/427544615.db2.gz GPCDTYGANXYFKT-HOTGVXAUSA-N 2 0 308.466 2.686 20 0 DFADRP c1cc(N2CCC([NH2+]CCC[NH+]3CCCCC3)CC2)cc[nH+]1 ZINC000298264798 427552028 /nfs/dbraw/zinc/55/20/28/427552028.db2.gz GBLXDFMZXGHLCC-UHFFFAOYSA-N 3 0 302.466 2.516 20 0 DFADRP C[NH+](C)[C@@H]1CCc2cc(NC(=O)N[C@@H]3CCC[C@@H]([NH3+])C3)ccc21 ZINC000332566952 427621012 /nfs/dbraw/zinc/62/10/12/427621012.db2.gz UPFIYVYHTDCDKL-CKEIUWERSA-N 2 0 316.449 2.627 20 0 DFADRP CCC[C@@H]([NH2+]C[C@H](C(C)C)N1CC[NH+](C)CC1)c1cccnc1 ZINC000184976922 427570872 /nfs/dbraw/zinc/57/08/72/427570872.db2.gz AGOFNLOWVJFEMB-RTBURBONSA-N 2 0 318.509 2.784 20 0 DFADRP CCc1oc(C[NH2+]CC2CC[NH+](C3CC3)CC2)cc1C(=O)OC ZINC000338953128 427583893 /nfs/dbraw/zinc/58/38/93/427583893.db2.gz QPIJVMLLPBWDKT-UHFFFAOYSA-N 2 0 320.433 2.593 20 0 DFADRP CCN(CC)C(=O)C[C@H](C)[NH2+]CCC[N@H+](C)Cc1ccccc1 ZINC000263840508 427587416 /nfs/dbraw/zinc/58/74/16/427587416.db2.gz PYAOADRKEAZSSX-KRWDZBQOSA-N 2 0 319.493 2.745 20 0 DFADRP CN(C)c1ncccc1O[C@@H]1CC[N@H+](C[C@@H]2CCC(C)(C)O2)C1 ZINC000298497307 427628853 /nfs/dbraw/zinc/62/88/53/427628853.db2.gz JWUDKZJRTRKVTI-CABCVRRESA-N 2 0 319.449 2.558 20 0 DFADRP C[C@@H](CCn1cccn1)[NH2+]C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000192923606 427635928 /nfs/dbraw/zinc/63/59/28/427635928.db2.gz DIBPOLFZFMLWJU-PKOBYXMFSA-N 2 0 312.461 2.773 20 0 DFADRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@@H]1CCCNc2ccccc21 ZINC000192942115 427639220 /nfs/dbraw/zinc/63/92/20/427639220.db2.gz UZPYGRNWVZIWRJ-CRAIPNDOSA-N 2 0 305.466 2.880 20 0 DFADRP CC[N@@H+]1CC[C@@H]([NH2+]Cc2cccc(NC(=O)OC)c2)[C@@H](C)C1 ZINC000287565512 427641571 /nfs/dbraw/zinc/64/15/71/427641571.db2.gz QIQMXCBGOGRUHL-XJKSGUPXSA-N 2 0 305.422 2.685 20 0 DFADRP C[N@@H+]1CCCC[C@H]1CC[NH+]1CC[C@@H](OCc2ccncc2)C1 ZINC000287583835 427647264 /nfs/dbraw/zinc/64/72/64/427647264.db2.gz CIVPLJVWLVJFDW-ZWKOTPCHSA-N 2 0 303.450 2.547 20 0 DFADRP CC(C)CN(CC[NH+](C)C)C(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000339049918 427648423 /nfs/dbraw/zinc/64/84/23/427648423.db2.gz UYYZHVOZNJOTRM-UHFFFAOYSA-N 2 0 320.481 2.800 20 0 DFADRP CCn1cc(C[NH2+][C@@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)cn1 ZINC000272146960 427649889 /nfs/dbraw/zinc/64/98/89/427649889.db2.gz CMACAWYQOZICSQ-LPHOPBHVSA-N 2 0 312.461 2.903 20 0 DFADRP c1coc(-c2ncc(C[NH2+]CCCC[NH+]3CCOCC3)s2)c1 ZINC000193007555 427650615 /nfs/dbraw/zinc/65/06/15/427650615.db2.gz YHBRFXSRVASZML-UHFFFAOYSA-N 2 0 321.446 2.605 20 0 DFADRP Cn1cc([C@H]([NH2+]CCCn2ccnc2)c2ccc(F)cc2)cn1 ZINC000185432709 427651395 /nfs/dbraw/zinc/65/13/95/427651395.db2.gz UDMXLQDVJWXOCB-QGZVFWFLSA-N 2 0 313.380 2.525 20 0 DFADRP C[NH+]1CCC(Oc2ccc(C[NH2+]C3CCC(O)CC3)cc2)CC1 ZINC000287616673 427656226 /nfs/dbraw/zinc/65/62/26/427656226.db2.gz STBHZOQQHUJPHL-UHFFFAOYSA-N 2 0 318.461 2.553 20 0 DFADRP C[C@@H]1CCCCN1CC[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000298608637 427657022 /nfs/dbraw/zinc/65/70/22/427657022.db2.gz ZTHLTMAGGFGNCK-MRXNPFEDSA-N 2 0 302.466 2.514 20 0 DFADRP C[C@H]([NH2+]Cc1ccncc1OCCC[NH+](C)C)[C@@H]1CC1(C)C ZINC000342410390 272006650 /nfs/dbraw/zinc/00/66/50/272006650.db2.gz AXFDSRDNQSIBAA-HOCLYGCPSA-N 2 0 305.466 2.936 20 0 DFADRP COCC[N@H+](C)CCC[NH2+][C@H]1C[C@H](Oc2ccccc2)C1(C)C ZINC000342624297 272032474 /nfs/dbraw/zinc/03/24/74/272032474.db2.gz IGVISWCMYWXMNW-ROUUACIJSA-N 2 0 320.477 2.790 20 0 DFADRP C[NH+]1CCN(Cc2ccc(C[NH2+][C@H]3CCC3(C)C)cc2)CC1 ZINC000342715639 272045347 /nfs/dbraw/zinc/04/53/47/272045347.db2.gz WLVVGLAWBUHEDA-SFHVURJKSA-N 2 0 301.478 2.712 20 0 DFADRP COCC[N@H+](C)CCOc1cccc(C[NH2+][C@@H]2CCC2(C)C)c1 ZINC000342719172 272046212 /nfs/dbraw/zinc/04/62/12/272046212.db2.gz AHZSVWNTFVKSBX-GOSISDBHSA-N 2 0 320.477 2.922 20 0 DFADRP CC[C@@H]1C[C@H](C)CC[C@@H]1[NH2+]Cc1nnc(C2CC[NH2+]CC2)[nH]1 ZINC000333654725 427668954 /nfs/dbraw/zinc/66/89/54/427668954.db2.gz ZRBZJBJTHIXOJO-NFAWXSAZSA-N 2 0 305.470 2.576 20 0 DFADRP CC(C)(C)[NH+]1CCC([NH2+]C2CCN(CC(F)F)CC2)CC1 ZINC000342794219 272054686 /nfs/dbraw/zinc/05/46/86/272054686.db2.gz KOPWRJLQSVMNLX-UHFFFAOYSA-N 2 0 303.441 2.568 20 0 DFADRP C[NH+]1CCC(Oc2ccc(C[NH2+]CC[C@H]3CCOC3)cc2)CC1 ZINC000342819226 272059172 /nfs/dbraw/zinc/05/91/72/272059172.db2.gz AEQZCQAYSHUVLR-KRWDZBQOSA-N 2 0 318.461 2.676 20 0 DFADRP CCCCNC(=O)[C@H]1CC[C@H](C)[N@H+](CCCn2ccnc2C)C1 ZINC000342862766 272063877 /nfs/dbraw/zinc/06/38/77/272063877.db2.gz CSMSJKIYMNWRMT-RDJZCZTQSA-N 2 0 320.481 2.598 20 0 DFADRP C[C@H]1CN(C)C[C@@H]1[NH2+]Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000343032760 272077003 /nfs/dbraw/zinc/07/70/03/272077003.db2.gz HOSKDARTSZJOEN-LPHOPBHVSA-N 2 0 301.478 2.712 20 0 DFADRP CCN1C[C@H]([NH2+]Cc2ccccc2C[NH+](CC)CC)[C@@H](C)C1 ZINC000343032859 272077129 /nfs/dbraw/zinc/07/71/29/272077129.db2.gz IBLCFBLBMMQEEV-LPHOPBHVSA-N 2 0 303.494 2.958 20 0 DFADRP CCC[C@@H](C(=O)NC[C@H](C(C)C)[NH+]1CCC(C)CC1)[NH+](C)C ZINC000343097502 272085853 /nfs/dbraw/zinc/08/58/53/272085853.db2.gz UAUIIXJTXZIDCK-DLBZAZTESA-N 2 0 311.514 2.589 20 0 DFADRP Cc1ccsc1C[NH2+]C[C@H]1CCCN(C)[C@H]1c1ccnn1C ZINC000343456194 272151678 /nfs/dbraw/zinc/15/16/78/272151678.db2.gz RZZCEVNTEABQPF-RHSMWYFYSA-N 2 0 318.490 2.963 20 0 DFADRP C[C@H](Cc1cccc(C(F)(F)F)c1)[NH2+]CCOCC[NH+](C)C ZINC000343460226 272152549 /nfs/dbraw/zinc/15/25/49/272152549.db2.gz SOFDCJGYTREZNE-CYBMUJFWSA-N 2 0 318.383 2.804 20 0 DFADRP CC[NH+](CC)[C@H](C(=O)N[C@H]1CCC[N@H+](C)[C@@H]1C)c1ccccc1 ZINC000343466143 272154479 /nfs/dbraw/zinc/15/44/79/272154479.db2.gz VGOYZCKEKLRNCI-NJAFHUGGSA-N 2 0 317.477 2.668 20 0 DFADRP COC(=O)c1occc1C[NH2+]CCCC[N@@H+]1CCCC[C@@H]1C ZINC000343469290 272154695 /nfs/dbraw/zinc/15/46/95/272154695.db2.gz IWVXWBVAAYFUNI-AWEZNQCLSA-N 2 0 308.422 2.810 20 0 DFADRP C[C@H](C[NH2+][C@@H](C)c1cccc(-n2ccnn2)c1)C[NH+]1CCCC1 ZINC000287708795 427675847 /nfs/dbraw/zinc/67/58/47/427675847.db2.gz NZWJNEAVWZNGNS-CVEARBPZSA-N 2 0 313.449 2.650 20 0 DFADRP C[C@H](Cc1cnccn1)[NH2+][C@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000343780636 272217415 /nfs/dbraw/zinc/21/74/15/272217415.db2.gz AHMSIBMOPSQNRX-RYRKJORJSA-N 2 0 310.445 2.833 20 0 DFADRP COc1cncc(C[N@@H+]2CC[C@H](CNc3cccc(C)[nH+]3)C2)c1 ZINC000343833678 272228209 /nfs/dbraw/zinc/22/82/09/272228209.db2.gz ZPHPZNLNTLKRCJ-OAHLLOKOSA-N 2 0 312.417 2.728 20 0 DFADRP CC(C)(C)[C@H](O)C[N@@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000343937906 272240587 /nfs/dbraw/zinc/24/05/87/272240587.db2.gz KZQLWOVJTRKNCO-UYAOXDASSA-N 2 0 316.489 2.991 20 0 DFADRP CCN1C[C@@H](C)[C@H]([NH2+]CC2CC[NH+](Cc3cccs3)CC2)C1 ZINC000343990446 272248546 /nfs/dbraw/zinc/24/85/46/272248546.db2.gz UXIAGRSXUTXWBG-CRAIPNDOSA-N 2 0 321.534 2.890 20 0 DFADRP C[C@H](C(=O)NC[C@]1([NH+](C)C)CCC[C@@H](C)C1)[NH+]1CCCCCC1 ZINC000344027205 272251504 /nfs/dbraw/zinc/25/15/04/272251504.db2.gz DOWXYDBREICHOR-LMMKCTJWSA-N 2 0 323.525 2.878 20 0 DFADRP CN(CCC[N@H+](C)Cc1cccc(Cl)c1F)CC[NH+](C)C ZINC000344047063 272252251 /nfs/dbraw/zinc/25/22/51/272252251.db2.gz YFTCDGPAFGHBSM-UHFFFAOYSA-N 2 0 315.864 2.794 20 0 DFADRP CC[NH+]1CCN([C@@H](C)C[NH2+][C@@H]2CCCc3ccc(F)cc32)CC1 ZINC000344109796 272264933 /nfs/dbraw/zinc/26/49/33/272264933.db2.gz YHDAVHVKOWADPY-HNAYVOBHSA-N 2 0 319.468 2.819 20 0 DFADRP CCC[N@H+](CCN1CC[NH+](CC)CC1)Cc1ccccc1C ZINC000344136102 272271799 /nfs/dbraw/zinc/27/17/99/272271799.db2.gz UEWJNDXXVPFCNW-UHFFFAOYSA-N 2 0 303.494 2.845 20 0 DFADRP c1cn(-c2csc(C[NH2+][C@@H]3CC[N@@H+]4CCC[C@H]4C3)c2)cn1 ZINC000344162603 272277369 /nfs/dbraw/zinc/27/73/69/272277369.db2.gz IMQHMHAWZBTCHR-KGLIPLIRSA-N 2 0 302.447 2.650 20 0 DFADRP OCCC1(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)CC1 ZINC000193319537 427682344 /nfs/dbraw/zinc/68/23/44/427682344.db2.gz VYIUQPGNHWPOJQ-YQQQUEKLSA-N 2 0 314.473 2.934 20 0 DFADRP C[NH+](C)C1CCN(CC[NH2+][C@H]2CCCc3ccc(F)cc32)CC1 ZINC000344178852 272280855 /nfs/dbraw/zinc/28/08/55/272280855.db2.gz WNKDQALBOWSCDW-IBGZPJMESA-N 2 0 319.468 2.819 20 0 DFADRP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+]C[C@@H]1CCCCS1 ZINC000344353099 272319426 /nfs/dbraw/zinc/31/94/26/272319426.db2.gz JCGLXRKSAMWTGN-INIZCTEOSA-N 2 0 302.447 2.951 20 0 DFADRP C[C@H]1CC[C@H](C)[NH+]1CC(=O)NCCCC[N@@H+]1CCCC[C@H]1C ZINC000344614945 272348850 /nfs/dbraw/zinc/34/88/50/272348850.db2.gz LOOIRFAIZXNMNW-IKGGRYGDSA-N 2 0 309.498 2.630 20 0 DFADRP CCCOc1cccc(C[NH2+]CC2(O)CC[NH+](C(C)C)CC2)c1 ZINC000344630329 272350294 /nfs/dbraw/zinc/35/02/94/272350294.db2.gz MVKKHBMTPPMTTP-UHFFFAOYSA-N 2 0 320.477 2.800 20 0 DFADRP C[C@H](c1ccccc1)[N@@H+]1CC[C@H](N[C@@H]2CC[NH+](C)[C@H](C)C2)C1 ZINC000344676995 272354998 /nfs/dbraw/zinc/35/49/98/272354998.db2.gz JUURBIOCVPEELI-RWQQGDIJSA-N 2 0 301.478 2.894 20 0 DFADRP CC[C@H](C(=O)N1CCC[C@H]([NH+]2[C@@H](C)CC[C@@H]2C)C1)[NH+](CC)CC ZINC000345043488 272397628 /nfs/dbraw/zinc/39/76/28/272397628.db2.gz HUEGQEVAPXUSTM-XLAORIBOSA-N 2 0 323.525 2.971 20 0 DFADRP COc1ncccc1CN1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000193442422 427690787 /nfs/dbraw/zinc/69/07/87/427690787.db2.gz AQYAUHAINHWCBY-PBHICJAKSA-N 2 0 301.434 2.539 20 0 DFADRP C[C@H]([NH2+]C[C@H](O)Cc1ccccc1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185743810 427697739 /nfs/dbraw/zinc/69/77/39/427697739.db2.gz RULDFLQLFMDPOL-ILZDJORESA-N 2 0 316.489 2.833 20 0 DFADRP CC[C@H](C(=O)Nc1ccccc1OCC[NH+](CC)CC)[NH+](C)C ZINC000298786700 427705029 /nfs/dbraw/zinc/70/50/29/427705029.db2.gz DRKSNDHHMZNAJL-MRXNPFEDSA-N 2 0 321.465 2.686 20 0 DFADRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@@H](C)[C@H](OC)c1ccccc1 ZINC000279702952 427714777 /nfs/dbraw/zinc/71/47/77/427714777.db2.gz JOORVCITCPIIQJ-JQHSSLGASA-N 2 0 308.466 2.709 20 0 DFADRP CCCC[N@H+](C)CC1CCN(C(=O)[C@@H]2[NH2+]CCCC2(C)C)CC1 ZINC000336872355 427768572 /nfs/dbraw/zinc/76/85/72/427768572.db2.gz MEHBCJHNPLMMGY-KRWDZBQOSA-N 2 0 323.525 2.735 20 0 DFADRP C[C@H]1CC([NH2+]C[C@@H](O)CN2CCc3ccccc3C2)C[C@H](C)C1 ZINC000339548612 427791166 /nfs/dbraw/zinc/79/11/66/427791166.db2.gz WUKPJBVWYVXLQW-JXXFODFXSA-N 2 0 316.489 2.820 20 0 DFADRP CCc1ccc(NC(=O)CN2CC[C@]3(C2)CCC[N@H+](C)C3)cc1 ZINC000339433337 427774230 /nfs/dbraw/zinc/77/42/30/427774230.db2.gz OBAVSGFBXCCCKR-LJQANCHMSA-N 2 0 315.461 2.605 20 0 DFADRP C[C@@H](C(=O)N1CCC[NH+](CC2CCC2)CC1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000339439570 427776028 /nfs/dbraw/zinc/77/60/28/427776028.db2.gz XAKCBIWQGXEAPY-BBWFWOEESA-N 2 0 321.509 2.582 20 0 DFADRP O[C@H](C[NH2+]C1CCC2(CC2)CC1)CN1CCc2ccccc2C1 ZINC000339545719 427791318 /nfs/dbraw/zinc/79/13/18/427791318.db2.gz RRFXYLFAIUSLPM-LJQANCHMSA-N 2 0 314.473 2.718 20 0 DFADRP COC1(CC[NH2+]Cc2cn(-c3cc[nH+]cc3)nc2C)CCC1 ZINC000339452827 427777302 /nfs/dbraw/zinc/77/73/02/427777302.db2.gz VCWKVJKFOONDBQ-UHFFFAOYSA-N 2 0 300.406 2.625 20 0 DFADRP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+][C@H](C)c1cc[nH]c(=O)c1 ZINC000339459358 427778561 /nfs/dbraw/zinc/77/85/61/427778561.db2.gz MYQPMFLPHKDEFD-GFCCVEGCSA-N 2 0 309.373 2.527 20 0 DFADRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+]Cc1ccc(Cl)c(F)c1 ZINC000185881067 427724931 /nfs/dbraw/zinc/72/49/31/427724931.db2.gz RZBMYHQITUOFDC-CYBMUJFWSA-N 2 0 313.848 2.595 20 0 DFADRP Cc1cccc(C[NH2+]C(C)(C)CCN2CC[NH+](C)CC2)c1C ZINC000185890941 427725448 /nfs/dbraw/zinc/72/54/48/427725448.db2.gz AOLADRKCAPNZMO-UHFFFAOYSA-N 2 0 303.494 2.809 20 0 DFADRP C[C@H](O)CCC[N@@H+]1C[C@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000336655989 427746442 /nfs/dbraw/zinc/74/64/42/427746442.db2.gz JULWYXTVBCCOPO-UHOSZYNNSA-N 2 0 302.462 2.601 20 0 DFADRP CC[N@@H+]1CC[C@@H](C[NH2+][C@H]2CCCN(Cc3ccccc3)C2)C1 ZINC000336694096 427748390 /nfs/dbraw/zinc/74/83/90/427748390.db2.gz YNDVWOWOSZUSLX-OALUTQOASA-N 2 0 301.478 2.582 20 0 DFADRP Cc1sccc1C[NH2+]C1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000339300198 427754043 /nfs/dbraw/zinc/75/40/43/427754043.db2.gz BTQKFTZQULABHK-SJORKVTESA-N 2 0 308.491 2.914 20 0 DFADRP Cc1cccc2c(N3CC[NH+](C[C@@H]4CCOC4)CC3)cc[nH+]c12 ZINC000301662573 427813460 /nfs/dbraw/zinc/81/34/60/427813460.db2.gz KABZLENIPWCTFD-INIZCTEOSA-N 2 0 311.429 2.702 20 0 DFADRP C[C@H]([NH2+]C[C@@](C)(O)C(F)(F)F)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000337206777 427814821 /nfs/dbraw/zinc/81/48/21/427814821.db2.gz NEKIEEVUHGPHOK-SGMGOOAPSA-N 2 0 308.388 2.542 20 0 DFADRP Cc1cc(N2CC[N@@H+](C[C@H](C)O)[C@@H](C)C2)c2cc(F)ccc2[nH+]1 ZINC000301688759 427816363 /nfs/dbraw/zinc/81/63/63/427816363.db2.gz VPFSPQJUTORQNF-KBPBESRZSA-N 2 0 317.408 2.574 20 0 DFADRP COCC[N@@H+]1CCN(c2cc(C(C)C)nc(C(C)C)n2)C[C@@H]1C ZINC000301809772 427825827 /nfs/dbraw/zinc/82/58/27/427825827.db2.gz GNBZJEQDXGDOPM-HNNXBMFYSA-N 2 0 320.481 2.880 20 0 DFADRP CC[C@H](C(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccccc1)[NH+](CC)CC ZINC000340377580 427833527 /nfs/dbraw/zinc/83/35/27/427833527.db2.gz UMESBHRFFYIYAX-RCCFBDPRSA-N 2 0 317.477 2.668 20 0 DFADRP CC(C)C[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCC[NH+]1C1CCCC1 ZINC000337311244 427837298 /nfs/dbraw/zinc/83/72/98/427837298.db2.gz CAUHMPZNMVVWJW-ROUUACIJSA-N 2 0 321.509 2.630 20 0 DFADRP CSC[C@@H]1CCC[N@@H+]1Cc1cn(-c2cc[nH+]cc2)nc1C ZINC000346164312 272583281 /nfs/dbraw/zinc/58/32/81/272583281.db2.gz IIXVNIPKCAIDEQ-INIZCTEOSA-N 2 0 302.447 2.903 20 0 DFADRP Cc1cnc([C@H](C)[NH2+]CCCN2CC[NH+](C(C)C)CC2)s1 ZINC000337312035 427838923 /nfs/dbraw/zinc/83/89/23/427838923.db2.gz DLPGSXIKSBPPBL-HNNXBMFYSA-N 2 0 310.511 2.518 20 0 DFADRP Cc1csc([C@H](C)[NH2+]CCCN2CC[NH+](C(C)C)CC2)n1 ZINC000337324916 427846739 /nfs/dbraw/zinc/84/67/39/427846739.db2.gz UUROQFIYBZOKEQ-HNNXBMFYSA-N 2 0 310.511 2.518 20 0 DFADRP CC[NH+](CC)CC1CC[NH+](Cc2cc(OC)cc(C)n2)CC1 ZINC000339841904 427846974 /nfs/dbraw/zinc/84/69/74/427846974.db2.gz KWFURJIBIYCFDO-UHFFFAOYSA-N 2 0 305.466 2.952 20 0 DFADRP CC[C@@H]([NH2+]CC1(O)CC[NH+](C)CC1)c1cccc(Cl)c1F ZINC000359436693 427849373 /nfs/dbraw/zinc/84/93/73/427849373.db2.gz XSMUNYNEWMHFGL-CQSZACIVSA-N 2 0 314.832 2.977 20 0 DFADRP CC(C)[NH+]1CCN(CCC[N@H+](C)C2Cc3ccccc3C2)CC1 ZINC000337338530 427852306 /nfs/dbraw/zinc/85/23/06/427852306.db2.gz QFOIMDKOOVEXKU-UHFFFAOYSA-N 2 0 315.505 2.502 20 0 DFADRP CC[C@H](Cn1cncn1)[NH2+]Cc1ccc(C[NH+](CC)CC)cc1 ZINC000340467452 427854993 /nfs/dbraw/zinc/85/49/93/427854993.db2.gz PHCXDPCSIXCVDU-GOSISDBHSA-N 2 0 315.465 2.688 20 0 DFADRP CC(C)OC[C@H](C)[NH2+]Cc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC000337348394 427857096 /nfs/dbraw/zinc/85/70/96/427857096.db2.gz YYMUOFBUYOUKIJ-INIZCTEOSA-N 2 0 320.477 2.546 20 0 DFADRP Cc1nccnc1CC[NH2+]C1CC[NH+]([C@@H]2CCC[C@@H](C)C2)CC1 ZINC000340489383 427861890 /nfs/dbraw/zinc/86/18/90/427861890.db2.gz MGRNGWWAFAKVBS-CRAIPNDOSA-N 2 0 316.493 2.960 20 0 DFADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H]([NH+]2[C@H](C)CC[C@@H]2C)C1 ZINC000340500309 427866082 /nfs/dbraw/zinc/86/60/82/427866082.db2.gz RIAMAXVVJPZEGB-XMTFNYHQSA-N 2 0 321.509 2.725 20 0 DFADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)C[C@H](C)C(C)C ZINC000340515005 427870213 /nfs/dbraw/zinc/87/02/13/427870213.db2.gz LIKZRRGGANXQKJ-IRXDYDNUSA-N 2 0 311.514 2.543 20 0 DFADRP C[C@@H](CCN1CC[NH+](C)CC1)[NH2+]C/C=C/c1ccc(F)cc1F ZINC000349833075 427874988 /nfs/dbraw/zinc/87/49/88/427874988.db2.gz YPGFNOWTLFWMKH-BWPKMQGJSA-N 2 0 323.431 2.594 20 0 DFADRP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NCC[NH+]1CCCC1 ZINC000359508812 427881510 /nfs/dbraw/zinc/88/15/10/427881510.db2.gz HMEZHPJQNWPSIE-PKOBYXMFSA-N 2 0 301.478 2.582 20 0 DFADRP CC(C)[C@H](C(=O)NCC[C@H](C)[NH+]1CCCCC1)[NH+]1CCCCC1 ZINC000345759663 427891682 /nfs/dbraw/zinc/89/16/82/427891682.db2.gz ZHUTUNYFQLHIDC-ZWKOTPCHSA-N 2 0 323.525 2.878 20 0 DFADRP CCC[NH+](CCC)CCCC(=O)N1CC[NH+](CC(C)C)CC1 ZINC000337436846 427903368 /nfs/dbraw/zinc/90/33/68/427903368.db2.gz WWQKFIPIGSATFA-UHFFFAOYSA-N 2 0 311.514 2.689 20 0 DFADRP C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)[C@@H]1CCCC[C@]1(C)[NH3+] ZINC000345825069 427921466 /nfs/dbraw/zinc/92/14/66/427921466.db2.gz VRWJCJBPTLIVLE-RYRKJORJSA-N 2 0 309.498 2.665 20 0 DFADRP CC1(C)OCC[C@@H]1[NH2+]CC1(N2CCSCC2)CCCCC1 ZINC000340234211 427960935 /nfs/dbraw/zinc/96/09/35/427960935.db2.gz BGYJTACWOLCRCN-HNNXBMFYSA-N 2 0 312.523 2.895 20 0 DFADRP CCN(CC)C(=O)c1ccc(C[NH2+][C@H]2CC[N@H+](C)C[C@H]2C)cc1 ZINC000359663466 427963477 /nfs/dbraw/zinc/96/34/77/427963477.db2.gz VYGDGXPDULDDHS-QAPCUYQASA-N 2 0 317.477 2.598 20 0 DFADRP FC1(F)CC[C@H](C[NH+]2CCC(OCC[NH+]3CCCC3)CC2)C1 ZINC000340280824 427974540 /nfs/dbraw/zinc/97/45/40/427974540.db2.gz FHACQBXFXCVMEZ-HNNXBMFYSA-N 2 0 316.436 2.999 20 0 DFADRP CC(C)[C@@H](C(=O)NCC[N@H+]1[C@H](C)CCC[C@@H]1C)[NH+]1CCCCC1 ZINC000341047745 427979380 /nfs/dbraw/zinc/97/93/80/427979380.db2.gz BSQAQDFDUVNETL-KSZLIROESA-N 2 0 323.525 2.876 20 0 DFADRP COC(C)(C)[C@@H](C)[NH2+]Cc1ccccc1C[N@@H+]1CCC[C@H]1CO ZINC000340353137 427996154 /nfs/dbraw/zinc/99/61/54/427996154.db2.gz YUECMLOAYXJVHZ-QAPCUYQASA-N 2 0 320.477 2.546 20 0 DFADRP c1nc([C@H]2CCCO2)sc1CNCc1cnc2n1CCCC2 ZINC000376727744 427988503 /nfs/dbraw/zinc/98/85/03/427988503.db2.gz GDPSVKDKCQRYIX-CQSZACIVSA-N 2 0 318.446 2.817 20 0 DFADRP C[C@@H]([NH3+])C1CC[NH+](Cc2ccc(Oc3cnccn3)cc2)CC1 ZINC000347173587 272740676 /nfs/dbraw/zinc/74/06/76/272740676.db2.gz PGPPKDZPBJHVEM-CQSZACIVSA-N 2 0 312.417 2.828 20 0 DFADRP CC[N@H+](Cc1ccc(C(=O)NC(C)(C)CCC[NH3+])cc1)C1CC1 ZINC000340136814 427935837 /nfs/dbraw/zinc/93/58/37/427935837.db2.gz GNMOOBMOQQDGJI-UHFFFAOYSA-N 2 0 317.477 2.918 20 0 DFADRP CN(CC(=O)NCCC[NH2+]C1CCCCC1)Cc1ccccc1 ZINC000345886989 427942305 /nfs/dbraw/zinc/94/23/05/427942305.db2.gz PLVRQCRSLVRLAF-UHFFFAOYSA-N 2 0 317.477 2.547 20 0 DFADRP CC[NH+]1CCC(N[C@@H]2CC[N@H+](C)[C@H](c3ccccc3)C2)CC1 ZINC000340181201 427946686 /nfs/dbraw/zinc/94/66/86/427946686.db2.gz MWKLCNHYTLPIFA-MOPGFXCFSA-N 2 0 301.478 2.896 20 0 DFADRP C[N@@H+]1CC[C@H](NCCC[NH+]2CCCC2)C[C@@H]1c1ccccc1 ZINC000340183135 427948018 /nfs/dbraw/zinc/94/80/18/427948018.db2.gz VFULALGSNKKQKB-RBUKOAKNSA-N 2 0 301.478 2.897 20 0 DFADRP C[C@H]([NH2+]Cc1cccc(OCC[NH+](C)C)c1)[C@]1(C)CCCO1 ZINC000340189074 427951400 /nfs/dbraw/zinc/95/14/00/427951400.db2.gz UNUYMWHUBZKFNZ-YJBOKZPZSA-N 2 0 306.450 2.674 20 0 DFADRP Cc1cnc(CN[C@H](C[N@H+](C)Cc2ccccc2)C(C)C)n1C ZINC000341254230 428029262 /nfs/dbraw/zinc/02/92/62/428029262.db2.gz BFMXHHBFBOWBKB-GOSISDBHSA-N 2 0 314.477 2.975 20 0 DFADRP CSC1(C[NH2+]C2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)CCC1 ZINC000356121832 428030946 /nfs/dbraw/zinc/03/09/46/428030946.db2.gz KSBMWDUACSBXEM-JKSUJKDBSA-N 2 0 312.523 2.630 20 0 DFADRP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+]1CC[C@@H](OCC(C)C)C1 ZINC000346166484 428047385 /nfs/dbraw/zinc/04/73/85/428047385.db2.gz JLDLGYQDKCAYTA-GOSISDBHSA-N 2 0 314.433 2.823 20 0 DFADRP CC[NH+](CC)CCCC1CC[NH+]([C@@H](C(=O)OC)C2CC2)CC1 ZINC000359855947 428049382 /nfs/dbraw/zinc/04/93/82/428049382.db2.gz BLUCEVVKCVQZCT-QGZVFWFLSA-N 2 0 310.482 2.772 20 0 DFADRP CCC(C)(C)[NH2+][C@H](C)C(=O)N1CCC[C@H]1C[NH+]1CCCCC1 ZINC000356171393 428050075 /nfs/dbraw/zinc/05/00/75/428050075.db2.gz RLMCONIOLBINAD-CVEARBPZSA-N 2 0 309.498 2.630 20 0 DFADRP CC1=C[C@@H](C)C[C@@H](C[NH+]2CCN(CC[NH+]3CCCC3)CC2)C1 ZINC000356054965 428003350 /nfs/dbraw/zinc/00/33/50/428003350.db2.gz BZAYUGHXSUKZOK-IEBWSBKVSA-N 2 0 305.510 2.692 20 0 DFADRP CC(C)[C@H](C(=O)N1CC[C@H]([NH+]2CCCCC2)C1)[NH+]1CCCCC1 ZINC000341188185 428006864 /nfs/dbraw/zinc/00/68/64/428006864.db2.gz LLJPWQMOFIHSRS-ZWKOTPCHSA-N 2 0 321.509 2.584 20 0 DFADRP CCC[C@H]([NH2+]C[C@H]1CN2CCCC[C@@H]2CO1)c1cccnc1 ZINC000376893268 428019874 /nfs/dbraw/zinc/01/98/74/428019874.db2.gz NNPIOSIUWHDJOT-SQNIBIBYSA-N 2 0 303.450 2.766 20 0 DFADRP CCC(C)(C)[NH2+][C@@H](C)C(=O)N(CC(C)C)C1CC[NH+](C)CC1 ZINC000356206804 428067548 /nfs/dbraw/zinc/06/75/48/428067548.db2.gz BOZXGKMNRUEKGN-HNNXBMFYSA-N 2 0 311.514 2.732 20 0 DFADRP C[C@H]1C[N@H+](CCCCC(F)(F)F)CCN1C1CC[NH+](C)CC1 ZINC000369908300 428088829 /nfs/dbraw/zinc/08/88/29/428088829.db2.gz LFCAIERTUJCFEM-AWEZNQCLSA-N 2 0 321.431 2.819 20 0 DFADRP C[C@@H]1CCCC[C@@H]1C[N@@H+]1CCCN(Cc2nccn2C)CC1 ZINC000369917072 428089386 /nfs/dbraw/zinc/08/93/86/428089386.db2.gz ASALHDJNYGNNAF-IAGOWNOFSA-N 2 0 304.482 2.754 20 0 DFADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H](C)[C@H](c1ccccc1)[NH+](C)C ZINC000356286534 428105373 /nfs/dbraw/zinc/10/53/73/428105373.db2.gz SRJGZAFWISWCBH-CGTJXYLNSA-N 2 0 317.477 2.668 20 0 DFADRP CC[NH+](CC)C[C@@H]1CCN(Cc2nc3cccnc3s2)C1 ZINC000341573673 428110464 /nfs/dbraw/zinc/11/04/64/428110464.db2.gz JAASZQUCBSTPOR-ZDUSSCGKSA-N 2 0 304.463 2.855 20 0 DFADRP CN(CCC[NH+]1CCN(c2ccccc2)CC1)Cc1ccoc1 ZINC000351862220 428114319 /nfs/dbraw/zinc/11/43/19/428114319.db2.gz TUVNKFFNJXCXKZ-UHFFFAOYSA-N 2 0 313.445 2.924 20 0 DFADRP CC(C)[NH+]1CCC([N@H+](C)CCc2ccc3c(c2)OCCO3)CC1 ZINC000360011881 428118004 /nfs/dbraw/zinc/11/80/04/428118004.db2.gz YJWYAWWFCQHNBZ-UHFFFAOYSA-N 2 0 318.461 2.805 20 0 DFADRP C[N@@H+]1CC[C@H](NCc2cc(COC(C)(C)C)on2)[C@H]2CCC[C@H]21 ZINC000377128794 428064350 /nfs/dbraw/zinc/06/43/50/428064350.db2.gz PHYHLWAHXSQVBL-IXDOHACOSA-N 2 0 321.465 2.952 20 0 DFADRP CC(C)[C@@H](CSc1ccccc1)[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000352558279 428149629 /nfs/dbraw/zinc/14/96/29/428149629.db2.gz VXFLLGHOYQKRPI-SJLPKXTDSA-N 2 0 322.518 2.850 20 0 DFADRP CC1CC[NH+](C2CCC(NC(=O)[C@@H]3CCC[NH2+][C@@H]3C)CC2)CC1 ZINC000377552638 428157910 /nfs/dbraw/zinc/15/79/10/428157910.db2.gz DDEKVCZSCJJIKD-AQEOSJORSA-N 2 0 321.509 2.534 20 0 DFADRP CC(C)[NH+]1CCC(C(=O)N(C)CC[N@H+](C)C2CCCCC2)CC1 ZINC000360137736 428178120 /nfs/dbraw/zinc/17/81/20/428178120.db2.gz WQVXKFGKBLAHSH-UHFFFAOYSA-N 2 0 323.525 2.830 20 0 DFADRP C[N@H+](CCN1CC[NH+](Cc2ccccc2)CC1)CC1CCC1 ZINC000352718047 428218177 /nfs/dbraw/zinc/21/81/77/428218177.db2.gz DTAQNFLYZPSJEX-UHFFFAOYSA-N 2 0 301.478 2.536 20 0 DFADRP C[N@@H+]1CCCC[C@H]1CC[NH+]1CCC[C@@H](C(=O)N2CCCCC2)C1 ZINC000370488015 428223332 /nfs/dbraw/zinc/22/33/32/428223332.db2.gz KFMAWNJSOSNOCN-MSOLQXFVSA-N 2 0 321.509 2.585 20 0 DFADRP COC[C@H]([NH2+]CC[C@@H]1CCC[N@H+](C)C1)c1ccc(F)c(F)c1 ZINC000414172296 428224627 /nfs/dbraw/zinc/22/46/27/428224627.db2.gz DSXYHHYSYSCNQB-GUYCJALGSA-N 2 0 312.404 2.974 20 0 DFADRP CC(C)(C)SCC[NH+]1CCC(C[NH+]2CCOCC2)CC1 ZINC000370508582 428228304 /nfs/dbraw/zinc/22/83/04/428228304.db2.gz PMDSUWYVAXHJRQ-UHFFFAOYSA-N 2 0 300.512 2.562 20 0 DFADRP C[C@@H]1C[N@H+](C(C)(C)CNc2cc[nH+]c3ccccc23)C[C@H](C)O1 ZINC000346588645 428229409 /nfs/dbraw/zinc/22/94/09/428229409.db2.gz AXBRSZMSNGWRLG-GASCZTMLSA-N 2 0 313.445 2.956 20 0 DFADRP COc1cccc2c1C[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@@H]3CCC[C@H]31)C2 ZINC000414203523 428232802 /nfs/dbraw/zinc/23/28/02/428232802.db2.gz ZJTLQUYXAGUCGB-CYGHRXIMSA-N 2 0 300.446 2.625 20 0 DFADRP C[C@@H](C(=O)NC(C)(C)C)N1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000356582309 428241410 /nfs/dbraw/zinc/24/14/10/428241410.db2.gz UDDNCBSUSAMYIL-IXDOHACOSA-N 2 0 323.525 2.876 20 0 DFADRP Fc1ccc(C[NH+]2CCC(CCC[NH+]3CCOCC3)CC2)nc1 ZINC000346482845 428189657 /nfs/dbraw/zinc/18/96/57/428189657.db2.gz DUPCYEWCJVGHTC-UHFFFAOYSA-N 2 0 321.440 2.545 20 0 DFADRP Cc1ccc(C[NH+]2CCC(CCC[NH+]3CCOCC3)CC2)nc1 ZINC000356460324 428190548 /nfs/dbraw/zinc/19/05/48/428190548.db2.gz RVVZQADPCSPQFB-UHFFFAOYSA-N 2 0 317.477 2.714 20 0 DFADRP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCc1cnccn1 ZINC000370366167 428192892 /nfs/dbraw/zinc/19/28/92/428192892.db2.gz OJOGKOMTOLJHAU-QFBILLFUSA-N 2 0 310.445 2.519 20 0 DFADRP CC[C@H]([NH2+]Cc1ccnc(N2CC[NH+](C)CC2)c1)[C@@H]1CC1(C)C ZINC000414070391 428195245 /nfs/dbraw/zinc/19/52/45/428195245.db2.gz LDXNEPINSOHGRH-IRXDYDNUSA-N 2 0 316.493 2.748 20 0 DFADRP CC[C@H]([NH2+]Cc1ccnc(N2CC[NH+](C)CC2)c1)[C@H]1CC1(C)C ZINC000414070393 428195422 /nfs/dbraw/zinc/19/54/22/428195422.db2.gz LDXNEPINSOHGRH-SJORKVTESA-N 2 0 316.493 2.748 20 0 DFADRP COc1ccc(C[C@@H](C)[NH2+]C2CC[NH+](CC(C)C)CC2)cn1 ZINC000414065446 428195684 /nfs/dbraw/zinc/19/56/84/428195684.db2.gz OQCULSGVYJCJIA-OAHLLOKOSA-N 2 0 305.466 2.731 20 0 DFADRP CC[NH+]1CCN([C@H](C)C[NH2+][C@@H](C)c2ccc(OC)cc2C)CC1 ZINC000414067018 428195991 /nfs/dbraw/zinc/19/59/91/428195991.db2.gz PYLDIKHEVZRVCC-SJORKVTESA-N 2 0 319.493 2.680 20 0 DFADRP CC[C@H]([NH2+]Cc1ccc(N2CC[NH+](CC)CC2)nc1)[C@@H]1C[C@H]1C ZINC000414082855 428201405 /nfs/dbraw/zinc/20/14/05/428201405.db2.gz WMINNOYUWOHHMH-NXHRZFHOSA-N 2 0 316.493 2.748 20 0 DFADRP C[C@@H]1CN(C2CC2)C[C@@H]1[NH2+][C@H](CN1CCCC1)c1ccccc1 ZINC000352684549 428204129 /nfs/dbraw/zinc/20/41/29/428204129.db2.gz ORSDYPMQPBEESB-LSTHTHJFSA-N 2 0 313.489 2.896 20 0 DFADRP CC[C@H]([NH2+]C[C@@H](C)CN1CC[NH+](CC)CC1)c1ccc(F)cn1 ZINC000352685270 428204440 /nfs/dbraw/zinc/20/44/40/428204440.db2.gz SWAHRUPSNMKVCE-WBVHZDCISA-N 2 0 322.472 2.535 20 0 DFADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+][C@H]1CCN(c2ccc(F)cc2)C1 ZINC000414351901 428266557 /nfs/dbraw/zinc/26/65/57/428266557.db2.gz SLMBEHNXBONBLM-AHEZYBDSSA-N 2 0 305.441 2.723 20 0 DFADRP CC1=C[C@@H](C)C[C@@H](C[NH2+]CC2CC[NH+](CCN(C)C)CC2)C1 ZINC000352830389 428267609 /nfs/dbraw/zinc/26/76/09/428267609.db2.gz AHDNSZIETLRSMR-VQIMIIECSA-N 2 0 307.526 2.842 20 0 DFADRP C[C@H](CC1CC1)[NH2+]CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000370662083 428268330 /nfs/dbraw/zinc/26/83/30/428268330.db2.gz IRHUIBMXNKPDDQ-MRXNPFEDSA-N 2 0 307.526 2.961 20 0 DFADRP C[NH2+]CCC1CC[NH+](Cc2cc(-n3ccnc3)cs2)CC1 ZINC000346677548 428268967 /nfs/dbraw/zinc/26/89/67/428268967.db2.gz KNRUWHIKIQMXGZ-UHFFFAOYSA-N 2 0 304.463 2.755 20 0 DFADRP Fc1ccc(N2CC[C@H]([NH2+][C@@H]3CC[N@@H+]4CCC[C@H]4C3)C2)cc1 ZINC000414356005 428271011 /nfs/dbraw/zinc/27/10/11/428271011.db2.gz ZOVXTDGQNKJEJJ-RYRKJORJSA-N 2 0 303.425 2.621 20 0 DFADRP C[C@@H]1C[C@@H](C[NH3+])C[N@@H+]1Cc1cnn(-c2ccc(Cl)cc2)c1 ZINC000346693728 428275824 /nfs/dbraw/zinc/27/58/24/428275824.db2.gz PFAIVMRYZCGNGE-OLZOCXBDSA-N 2 0 304.825 2.695 20 0 DFADRP Cc1occc1CN1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000414376785 428277041 /nfs/dbraw/zinc/27/70/41/428277041.db2.gz DAQRAVWZNLUDOW-IYBDPMFKSA-N 2 0 305.466 2.578 20 0 DFADRP Cc1ccc(CN2CCC[C@H](C[N@H+]3CCCC[C@H]3C)C2)nn1 ZINC000414376475 428277744 /nfs/dbraw/zinc/27/77/44/428277744.db2.gz COQMAPCRSIFAER-SJORKVTESA-N 2 0 302.466 2.871 20 0 DFADRP C[S@@](=O)c1ccc(C[NH+]2CCC(c3ncc[nH]3)CC2)cc1 ZINC000352869674 428286295 /nfs/dbraw/zinc/28/62/95/428286295.db2.gz XYHKBNPAURMYLB-OAQYLSRUSA-N 2 0 303.431 2.527 20 0 DFADRP C[C@@H](F)CC[NH+]1CCN([C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000352882260 428292460 /nfs/dbraw/zinc/29/24/60/428292460.db2.gz GWOUHNWTVIJJIL-MJGOQNOKSA-N 2 0 319.468 2.627 20 0 DFADRP C[C@H]1C[N@H+](C)CC[C@H]1N(C)Cc1cccc2c1OC(F)(F)O2 ZINC000414444576 428296944 /nfs/dbraw/zinc/29/69/44/428296944.db2.gz QAVUSCBGOAUROT-WCQYABFASA-N 2 0 312.360 2.780 20 0 DFADRP COCCOc1cccc(C[N@@H+]2CCC[C@H]3C[NH+](C)CC[C@@H]32)c1 ZINC000377840132 428242229 /nfs/dbraw/zinc/24/22/29/428242229.db2.gz POYAIGGWTLJFBP-HKUYNNGSSA-N 2 0 318.461 2.628 20 0 DFADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)CCC1CCCC1 ZINC000346617460 428242388 /nfs/dbraw/zinc/24/23/88/428242388.db2.gz HFIJRYSLYFVUOM-SFHVURJKSA-N 2 0 323.525 2.831 20 0 DFADRP Cc1nn(-c2ccc(F)cc2)c(C)c1C[N@H+]1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000346631806 428249329 /nfs/dbraw/zinc/24/93/29/428249329.db2.gz CLJRWHUBONXJOX-IUODEOHRSA-N 2 0 316.424 2.797 20 0 DFADRP CCCC[N@H+](C)C[C@H](C)NC(=O)c1cccc(C[NH+](C)C)c1 ZINC000356604763 428250775 /nfs/dbraw/zinc/25/07/75/428250775.db2.gz SUKMOPSEPUJXMH-HNNXBMFYSA-N 2 0 305.466 2.598 20 0 DFADRP [NH3+]CC1CC[NH+](Cc2ccc(OCC(F)(F)F)c(F)c2)CC1 ZINC000346646596 428252852 /nfs/dbraw/zinc/25/28/52/428252852.db2.gz OPHMFMWOKHIKEH-UHFFFAOYSA-N 2 0 320.330 2.938 20 0 DFADRP Cc1nn(C(C)(C)C)c(C)c1C[NH+]1CCC(OCCC[NH3+])CC1 ZINC000346656609 428258525 /nfs/dbraw/zinc/25/85/25/428258525.db2.gz GOQJQPLTCORWAY-UHFFFAOYSA-N 2 0 322.497 2.585 20 0 DFADRP C[C@H](O)CCC[N@@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000352813492 428260970 /nfs/dbraw/zinc/26/09/70/428260970.db2.gz BTEZGRNWRXFXSJ-HKUYNNGSSA-N 2 0 302.462 2.745 20 0 DFADRP Cc1nn(-c2cc[nH+]cc2)cc1CN1CCO[C@@H](C2CCC2)C1 ZINC000414474405 428306998 /nfs/dbraw/zinc/30/69/98/428306998.db2.gz SFTSCCKTWZPASJ-GOSISDBHSA-N 2 0 312.417 2.577 20 0 DFADRP Cc1nc(C)c(C)c(NC[C@H]2CC[N@@H+](C)[C@@H]2c2cccs2)n1 ZINC000378157846 428320525 /nfs/dbraw/zinc/32/05/25/428320525.db2.gz IUEHXLBNXGZNKL-ZBFHGGJFSA-N 2 0 316.474 3.568 20 0 DFADRP C[C@H](C(=O)N1CCCc2cc(C[NH3+])ccc21)[C@@H]([NH3+])c1ccccc1 ZINC000378187083 428328362 /nfs/dbraw/zinc/32/83/62/428328362.db2.gz HDNPOQRIAOPUKR-IFXJQAMLSA-N 2 0 323.440 2.761 20 0 DFADRP C[C@]1(C[NH2+][C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)CCOC1 ZINC000356840451 428334012 /nfs/dbraw/zinc/33/40/12/428334012.db2.gz FLTZJFRJZSOUGP-MTQWCTHYSA-N 2 0 314.473 2.913 20 0 DFADRP CC(C)n1ncc2cc(C[N@@H+]3C[C@@H]4CCC[C@H]([NH3+])[C@@H]4C3)cnc21 ZINC000346829889 428334296 /nfs/dbraw/zinc/33/42/96/428334296.db2.gz OJQYUUCAKDFRKU-UAGQMJEPSA-N 2 0 313.449 2.571 20 0 DFADRP Cc1ccccc1C1(C[NH2+][C@H]2CC[N@@H+](C)C[C@H]2C)CCOCC1 ZINC000360582349 428355981 /nfs/dbraw/zinc/35/59/81/428355981.db2.gz QGDMOPOFAITONE-MJGOQNOKSA-N 2 0 316.489 2.973 20 0 DFADRP Cc1cccc(-c2n[nH]cc2C[N@@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)c1 ZINC000346833668 428336533 /nfs/dbraw/zinc/33/65/33/428336533.db2.gz MHKNMESRVSTDCX-RYQLBKOJSA-N 2 0 310.445 2.944 20 0 DFADRP CCCOc1ccc(C[N@@H+]2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)cc1OC ZINC000346837230 428338645 /nfs/dbraw/zinc/33/86/45/428338645.db2.gz PQPZPGKGCUIZRK-JYJNAYRXSA-N 2 0 304.434 2.653 20 0 DFADRP C[C@@H]([NH2+]CCc1nccn1Cc1ccccc1)[C@H]1CCCOC1 ZINC000356858241 428340751 /nfs/dbraw/zinc/34/07/51/428340751.db2.gz XFONKUXIFSDGCL-AEFFLSMTSA-N 2 0 313.445 2.879 20 0 DFADRP C[C@@H]([NH2+]CC1CCN(c2cc[nH+]cc2)CC1)[C@H]1CCCOC1 ZINC000356874476 428341894 /nfs/dbraw/zinc/34/18/94/428341894.db2.gz QHHBAAFCGGOJLH-WBVHZDCISA-N 2 0 303.450 2.703 20 0 DFADRP COc1cccc(C[N@@H+]2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)c1OC(C)C ZINC000346843590 428342825 /nfs/dbraw/zinc/34/28/25/428342825.db2.gz KICIBFWGHBJKFG-IMJJTQAJSA-N 2 0 304.434 2.652 20 0 DFADRP C[N@H+](Cc1ccccc1)CC(C)(C)CN1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000346840104 428342903 /nfs/dbraw/zinc/34/29/03/428342903.db2.gz ZIVGZRSTVWGNTF-GBESFXJTSA-N 2 0 315.505 2.814 20 0 DFADRP COc1ccc(C[N@@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)cc1OCC(C)C ZINC000346855630 428346852 /nfs/dbraw/zinc/34/68/52/428346852.db2.gz UYZUNPCKFWVYHC-YESZJQIVSA-N 2 0 318.461 2.899 20 0 DFADRP Cc1cc(C)n(-c2ccc(C[N@@H+]3CC[C@]4(CC[NH2+]C4)C3)cc2)n1 ZINC000360558983 428347358 /nfs/dbraw/zinc/34/73/58/428347358.db2.gz ACIQZMAKRBWKRL-IBGZPJMESA-N 2 0 310.445 2.675 20 0 DFADRP CC[NH+]1CCC([NH2+]C[C@@](CC)(C(=O)OC)c2ccccc2)CC1 ZINC000414574975 428348016 /nfs/dbraw/zinc/34/80/16/428348016.db2.gz BNRVNPWGOUGEHC-LJQANCHMSA-N 2 0 318.461 2.581 20 0 DFADRP CC(C)c1cccc(NC(=[NH2+])NC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)c1 ZINC000360572437 428354701 /nfs/dbraw/zinc/35/47/01/428354701.db2.gz KHHSRUXFIYYZIC-SJORKVTESA-N 2 0 316.449 2.609 20 0 DFADRP [NH3+][C@@H]1CCC[C@H]2CN(CC(=O)Nc3cccc4ccccc43)C[C@H]21 ZINC000342102441 428301615 /nfs/dbraw/zinc/30/16/15/428301615.db2.gz MCNULSSWEAUYTI-CGTJXYLNSA-N 2 0 323.440 2.838 20 0 DFADRP CC[N@H+](CC(=O)Nc1cccc(CC[NH+](C)C2CC2)c1)C1CC1 ZINC000342109187 428302913 /nfs/dbraw/zinc/30/29/13/428302913.db2.gz VAADXXOYTCOYRU-UHFFFAOYSA-N 2 0 315.461 2.746 20 0 DFADRP Cc1cc(CN2CC[C@@H]3C[NH2+]C[C@@H]3C2)sc1Br ZINC000357107768 428389726 /nfs/dbraw/zinc/38/97/26/428389726.db2.gz TVPUJYNBDAABNX-GHMZBOCLSA-N 2 0 315.280 2.860 20 0 DFADRP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@@H+]2CCc1ccccc1F ZINC000346985358 428393850 /nfs/dbraw/zinc/39/38/50/428393850.db2.gz OPRAJFRTXBZYMY-NJAFHUGGSA-N 2 0 306.425 2.552 20 0 DFADRP C[C@H]1CCCC[N@@H+]1CCC1CC[NH+](C[C@@H]2CCC[NH2+]C2)CC1 ZINC000346983823 428394384 /nfs/dbraw/zinc/39/43/84/428394384.db2.gz NSZVNWTZPNOWDB-PKOBYXMFSA-N 3 0 307.526 2.963 20 0 DFADRP Cc1ncc(C[N@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)n1-c1ccccc1 ZINC000414771552 428400546 /nfs/dbraw/zinc/40/05/46/428400546.db2.gz RJUCNTWQSBJMDK-CALCHBBNSA-N 2 0 310.445 2.612 20 0 DFADRP c1cn(-c2csc(C[N@@H+]3CCC[C@H]([C@@H]4CC[NH2+]C4)C3)c2)cn1 ZINC000414774678 428400796 /nfs/dbraw/zinc/40/07/96/428400796.db2.gz FSGXTIAZKHZKAC-CABCVRRESA-N 2 0 316.474 2.755 20 0 DFADRP c1nc([C@@H]2CCCO2)sc1C[N@@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000414773075 428402018 /nfs/dbraw/zinc/40/20/18/428402018.db2.gz CTYDDMYRJAPCLL-DZKIICNBSA-N 2 0 321.490 2.816 20 0 DFADRP [NH3+]C[C@@H]1C[N@H+](C/C=C/c2ccc(F)cc2)CC12CCOCC2 ZINC000414773732 428402097 /nfs/dbraw/zinc/40/20/97/428402097.db2.gz DULMABGVLVTDJC-XGBNDESESA-N 2 0 304.409 2.526 20 0 DFADRP [NH3+]C[C@H]1C[N@H+](C/C=C\c2ccc(F)cc2)CC12CCOCC2 ZINC000414773722 428402113 /nfs/dbraw/zinc/40/21/13/428402113.db2.gz DULMABGVLVTDJC-AIMAZDRCSA-N 2 0 304.409 2.526 20 0 DFADRP c1csc(-c2n[nH]cc2C[N@@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)c1 ZINC000414772179 428402242 /nfs/dbraw/zinc/40/22/42/428402242.db2.gz BGPSAIZRJGXCSZ-ZIAGYGMSSA-N 2 0 316.474 2.960 20 0 DFADRP c1nc2ccccc2n1-c1ccc(C[NH2+]C2CC[NH2+]CC2)cc1 ZINC000414779756 428403747 /nfs/dbraw/zinc/40/37/47/428403747.db2.gz ANNQHXYYPNMSJW-UHFFFAOYSA-N 2 0 306.413 2.867 20 0 DFADRP CC[NH2+]CC1CC[NH+](Cc2cc(OC)cc3c2O[C@@H](C)C3)CC1 ZINC000347005112 428404507 /nfs/dbraw/zinc/40/45/07/428404507.db2.gz BBHDBYGDUWWCOG-AWEZNQCLSA-N 2 0 318.461 2.840 20 0 DFADRP Cc1cc(C[N@@H+]2C[C@@H](C[NH3+])C3(C2)CCOCC3)ccc1Cl ZINC000414777974 428404782 /nfs/dbraw/zinc/40/47/82/428404782.db2.gz ISQRVABTPZAQEA-OAHLLOKOSA-N 2 0 308.853 2.836 20 0 DFADRP C[C@@H](CC[N@@H+]1C[C@H](C[NH3+])C2(C1)CCOCC2)c1ccccc1 ZINC000414775727 428405277 /nfs/dbraw/zinc/40/52/77/428405277.db2.gz GNGDJFPAYZTOCO-WMZOPIPTSA-N 2 0 302.462 2.868 20 0 DFADRP Cc1oc2ccccc2c1C[N@@H+]1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000414784290 428405861 /nfs/dbraw/zinc/40/58/61/428405861.db2.gz RCTARTWBDTXNOF-OAHLLOKOSA-N 2 0 314.429 2.929 20 0 DFADRP COc1cc(C[NH2+][C@@H]2CCC[C@H]2C[NH3+])c(SC)cc1OC ZINC000414792478 428414441 /nfs/dbraw/zinc/41/44/41/428414441.db2.gz IYRHNSHGVNZDKZ-WCQYABFASA-N 2 0 310.463 2.643 20 0 DFADRP C[C@H](C[NH+]1CCC([C@@H]2OCC[C@H]2[NH3+])CC1)c1ccc(F)cc1 ZINC000414782598 428408136 /nfs/dbraw/zinc/40/81/36/428408136.db2.gz XUWWXQKSYAWKBZ-XWIAVFTESA-N 2 0 306.425 2.757 20 0 DFADRP C[C@H]1CN(CC(C)(C)C[N@H+](C)Cc2ccccc2)C[C@H](C)[NH2+]1 ZINC000347007617 428408957 /nfs/dbraw/zinc/40/89/57/428408957.db2.gz RAUUPIQMHRKKNL-IRXDYDNUSA-N 2 0 303.494 2.827 20 0 DFADRP c1cc(C[N@@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)c2c(c1)OCCCO2 ZINC000414787194 428410459 /nfs/dbraw/zinc/41/04/59/428410459.db2.gz VIQBMQMDLXXSDA-CVEARBPZSA-N 2 0 316.445 2.669 20 0 DFADRP c1cc(CCC[N@@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)cc2c1OCC2 ZINC000414787651 428410734 /nfs/dbraw/zinc/41/07/34/428410734.db2.gz VSAJTOPWCNABCU-MOPGFXCFSA-N 2 0 314.473 2.876 20 0 DFADRP [NH3+]C[C@H]1CCCC[C@@H]1[NH2+]Cc1cnn(-c2ccc(F)cc2)c1 ZINC000414793448 428412349 /nfs/dbraw/zinc/41/23/49/428412349.db2.gz DLYVLOYCUCAZOC-PBHICJAKSA-N 2 0 302.397 2.619 20 0 DFADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]Cc1cnc(-c2ccncc2)s1 ZINC000414793534 428412988 /nfs/dbraw/zinc/41/29/88/428412988.db2.gz DPCCSIUXSRTUQX-ZFWWWQNUSA-N 2 0 302.447 2.812 20 0 DFADRP CCc1cccnc1[C@@H](C)[NH2+]C[C@H](C)CN1CC[NH+](CC)CC1 ZINC000356908429 428357859 /nfs/dbraw/zinc/35/78/59/428357859.db2.gz XPGHKGGPJJSYDY-DLBZAZTESA-N 2 0 318.509 2.568 20 0 DFADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]CC[C@H]2CCCCO2)[C@H](C)C1 ZINC000356920571 428360742 /nfs/dbraw/zinc/36/07/42/428360742.db2.gz QAAXERWLIZRIKI-KURKYZTESA-N 2 0 312.498 2.672 20 0 DFADRP CO[C@@H]1CCN(Cc2ccc(C(F)(F)F)c(C)c2)[C@H](C[NH3+])C1 ZINC000414655626 428365602 /nfs/dbraw/zinc/36/56/02/428365602.db2.gz DMFIUJFMTVNZQB-UONOGXRCSA-N 2 0 316.367 2.952 20 0 DFADRP C[C@H](c1cccc(Cl)c1)[N@H+](C)C[C@H]1CCCN(C(=O)C[NH3+])C1 ZINC000414670251 428370742 /nfs/dbraw/zinc/37/07/42/428370742.db2.gz CSROAWDXTGIETD-ZIAGYGMSSA-N 2 0 323.868 2.530 20 0 DFADRP COc1cc(C)c(C[N@H+](C)C[C@H]2CC[NH2+][C@@H](C)C2)cc1OC ZINC000414675264 428371325 /nfs/dbraw/zinc/37/13/25/428371325.db2.gz FNRRKTCYPFLKAB-GJZGRUSLSA-N 2 0 306.450 2.832 20 0 DFADRP C[C@@H]1C[C@H](C[N@H+](C)Cc2ccc(Br)o2)CC[NH2+]1 ZINC000414683230 428372172 /nfs/dbraw/zinc/37/21/72/428372172.db2.gz ZRFFZFLHJUJRAQ-GHMZBOCLSA-N 2 0 301.228 2.862 20 0 DFADRP C[C@H]1C[C@H](C[N@H+](C)Cc2ccc(Br)o2)CC[NH2+]1 ZINC000414683233 428373298 /nfs/dbraw/zinc/37/32/98/428373298.db2.gz ZRFFZFLHJUJRAQ-WDEREUQCSA-N 2 0 301.228 2.862 20 0 DFADRP C[NH+](C)[C@@H](CNc1ncnc2[nH]ccc21)c1ccccc1Cl ZINC000357052473 428374962 /nfs/dbraw/zinc/37/49/62/428374962.db2.gz QJYIULZHLHPDDB-AWEZNQCLSA-N 2 0 315.808 3.326 20 0 DFADRP Cc1ccccc1CN1CC[NH+](C[C@@H]2CC[NH2+][C@@H](C)C2)CC1 ZINC000414684453 428375115 /nfs/dbraw/zinc/37/51/15/428375115.db2.gz VSHXEXCOUJJUMX-ZWKOTPCHSA-N 2 0 301.478 2.501 20 0 DFADRP C[N@H+](Cc1ccccc1)[C@@H]1CCN(CCC[NH+]2CCCC2)C1 ZINC000371205088 428378549 /nfs/dbraw/zinc/37/85/49/428378549.db2.gz NSJBLIKBYATXMZ-LJQANCHMSA-N 2 0 301.478 2.679 20 0 DFADRP CCc1ccc(CN2CC[NH+](C[C@H]3CC[NH2+][C@H](C)C3)CC2)s1 ZINC000414703162 428380444 /nfs/dbraw/zinc/38/04/44/428380444.db2.gz XWHRGGGNKCJXSB-CVEARBPZSA-N 2 0 321.534 2.816 20 0 DFADRP CC[N@H+](CCC1CC[NH+](CCC(=O)NC(C)C)CC1)CC1CC1 ZINC000357071860 428380441 /nfs/dbraw/zinc/38/04/41/428380441.db2.gz CABSIQHXFMPWGT-UHFFFAOYSA-N 2 0 323.525 2.735 20 0 DFADRP Cc1cc(C)cc(C[N@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@H]32)c1 ZINC000371294532 428380818 /nfs/dbraw/zinc/38/08/18/428380818.db2.gz LLFWCIXFVDRELC-IPMKNSEASA-N 2 0 302.462 2.987 20 0 DFADRP C[C@@H](C(=O)NCCCCC[NH+]1CCCC1)[NH+]1[C@H](C)CC[C@H]1C ZINC000357090525 428383382 /nfs/dbraw/zinc/38/33/82/428383382.db2.gz RZJNRWUWQDTQLR-ZACQAIPSSA-N 2 0 309.498 2.630 20 0 DFADRP CCN(C[C@@H]1CC[N@H+](C[C@@H]2CC[NH2+][C@@H](C)C2)C1)CC(F)(F)F ZINC000414711486 428384054 /nfs/dbraw/zinc/38/40/54/428384054.db2.gz SNFJZTPPOZBSAP-ZNMIVQPWSA-N 2 0 321.431 2.581 20 0 DFADRP CC[NH+](CC)CCO[C@H]1CC[N@H+](CCCC2CCOCC2)C1 ZINC000346956149 428385385 /nfs/dbraw/zinc/38/53/85/428385385.db2.gz CHGALHMZUMAOAH-SFHVURJKSA-N 2 0 312.498 2.626 20 0 DFADRP Cc1cccc(NC(=O)[C@H](C)[NH+]2CCC([C@@H]3CC[NH2+]C3)CC2)c1 ZINC000357092782 428385890 /nfs/dbraw/zinc/38/58/90/428385890.db2.gz XMPLJOPBJJWTRS-DOTOQJQBSA-N 2 0 315.461 2.644 20 0 DFADRP CCc1ccc(NC(=O)C[NH+]2CCC([C@H]3CC[NH2+]C3)CC2)cc1 ZINC000357102155 428386790 /nfs/dbraw/zinc/38/67/90/428386790.db2.gz IRLRNYSBNSHJRJ-KRWDZBQOSA-N 2 0 315.461 2.509 20 0 DFADRP C[C@@H]([NH2+]Cc1ccc(OC(F)F)c(F)c1)[C@@H]1CCC[NH2+]C1 ZINC000414846220 428433898 /nfs/dbraw/zinc/43/38/98/428433898.db2.gz DUQAVXLIBGJDEE-ZYHUDNBSSA-N 2 0 302.340 2.905 20 0 DFADRP CC[NH2+]CC1CC[NH+](Cc2cc(-n3ccnc3)cs2)CC1 ZINC000347075908 428434122 /nfs/dbraw/zinc/43/41/22/428434122.db2.gz UVDQIZRUVUVSOM-UHFFFAOYSA-N 2 0 304.463 2.755 20 0 DFADRP C[C@@H]([NH2+]C1CCN(Cc2ccccc2)CC1)[C@H]1CCC[NH2+]C1 ZINC000414856554 428434583 /nfs/dbraw/zinc/43/45/83/428434583.db2.gz OIPOESIZPNZHGQ-AEFFLSMTSA-N 2 0 301.478 2.629 20 0 DFADRP CCOc1ccc(C[NH2+][C@H](C)[C@@H]2CCC[NH2+]C2)cc1OCC ZINC000414854682 428434720 /nfs/dbraw/zinc/43/47/20/428434720.db2.gz MEYILUZGYVCMBW-GDBMZVCRSA-N 2 0 306.450 2.962 20 0 DFADRP C[C@@H](Cc1ccc(Br)cc1)[NH2+]CC[C@H]1CC[NH2+]C1 ZINC000414856680 428437053 /nfs/dbraw/zinc/43/70/53/428437053.db2.gz YXWIVFVOJRSDOV-GXTWGEPZSA-N 2 0 311.267 2.969 20 0 DFADRP Cc1cccn2c(CN3C[C@@H]4C[N@@H+]5CCCC[C@H]5[C@H]4C3)cnc12 ZINC000360790188 428440463 /nfs/dbraw/zinc/44/04/63/428440463.db2.gz BSTKEGZCDLQMCD-NJAFHUGGSA-N 2 0 310.445 2.559 20 0 DFADRP COc1ccc([C@H]2CC[NH2+]C[C@H]2NCc2cccs2)cc1 ZINC000414875948 428441480 /nfs/dbraw/zinc/44/14/80/428441480.db2.gz CPJHQMANGHVSFJ-IAGOWNOFSA-N 2 0 302.443 2.992 20 0 DFADRP CS[C@H](CO)[C@H](C)[NH2+][C@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000357228212 428442281 /nfs/dbraw/zinc/44/22/81/428442281.db2.gz FPRLUPWSEOYUQV-CYGHRXIMSA-N 2 0 322.518 2.599 20 0 DFADRP CC(C)C[C@H](CO)[NH2+][C@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000357224951 428443861 /nfs/dbraw/zinc/44/38/61/428443861.db2.gz BZGCVAFMKFDBLW-NZSAHSFTSA-N 2 0 304.478 2.894 20 0 DFADRP Cc1ccc(NC(=O)C[C@H](C)[NH2+]C[C@@H]([NH3+])C2CC2)cc1Cl ZINC000414881549 428445535 /nfs/dbraw/zinc/44/55/35/428445535.db2.gz AOXFTWWRYDPAHP-XHDPSFHLSA-N 2 0 309.841 2.692 20 0 DFADRP C[C@@H]([NH2+]CCCCC[NH+]1CCCCC1)C(C)(C)n1cncn1 ZINC000353240266 428445806 /nfs/dbraw/zinc/44/58/06/428445806.db2.gz JDDGJMCGRDFLDA-MRXNPFEDSA-N 2 0 307.486 2.648 20 0 DFADRP C[C@@H]1C[C@H]([NH2+]Cc2cn(C)nc2-c2ccccc2Cl)CC[NH2+]1 ZINC000414951680 428470311 /nfs/dbraw/zinc/47/03/11/428470311.db2.gz PYGQIGLCCPKONQ-TZMCWYRMSA-N 2 0 318.852 2.971 20 0 DFADRP CCOc1cc(C[NH2+]C[C@@H](C)C[NH3+])ccc1OCC(F)(F)F ZINC000414886439 428446466 /nfs/dbraw/zinc/44/64/66/428446466.db2.gz YEPIGQVWQISJBB-NSHDSACASA-N 2 0 320.355 2.711 20 0 DFADRP CSCC[C@H](CO)[NH2+][C@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000357238062 428447815 /nfs/dbraw/zinc/44/78/15/428447815.db2.gz PMSOBBIWVJAYDR-BPQIPLTHSA-N 2 0 322.518 2.601 20 0 DFADRP C[C@H](Cc1ccc(Br)cc1F)[NH2+]C[C@H]([NH3+])C1CC1 ZINC000414895568 428449480 /nfs/dbraw/zinc/44/94/80/428449480.db2.gz XWPHEBMHRJQUEE-OTYXRUKQSA-N 2 0 315.230 2.846 20 0 DFADRP C[C@H]1C[C@@H](NCC[C@H]2CCC[NH2+]2)CC[N@@H+]1Cc1ccccc1 ZINC000414901352 428450763 /nfs/dbraw/zinc/45/07/63/428450763.db2.gz GDFARDSIEQYQPM-UHOSZYNNSA-N 2 0 301.478 2.771 20 0 DFADRP C[C@@H]([NH3+])C1CC[NH+](Cc2nc3ccc(Cl)cc3n2C)CC1 ZINC000347111850 428450957 /nfs/dbraw/zinc/45/09/57/428450957.db2.gz QBYAQRBFIRZXPN-LLVKDONJSA-N 2 0 306.841 2.786 20 0 DFADRP Cc1ccc(NC(=O)C[C@@H](C)[NH2+]C[C@@H]2CC[NH2+]C2)c(Cl)c1 ZINC000414902349 428452581 /nfs/dbraw/zinc/45/25/81/428452581.db2.gz HFHPHXAURHFPES-CHWSQXEVSA-N 2 0 309.841 2.565 20 0 DFADRP C[C@H]1C[C@@H](NC(=O)CCC(C)(C)[NH3+])CC[N@@H+]1Cc1ccccc1 ZINC000379664609 428452735 /nfs/dbraw/zinc/45/27/35/428452735.db2.gz PTGUJFCJMHHHIA-RDJZCZTQSA-N 2 0 317.477 2.673 20 0 DFADRP CCc1ccccc1NC(=O)C[C@H](C)[NH2+]C[C@@]1(C)CCC[NH2+]C1 ZINC000414902215 428452834 /nfs/dbraw/zinc/45/28/34/428452834.db2.gz GWDDRAPWMQJBNM-KXBFYZLASA-N 2 0 317.477 2.945 20 0 DFADRP COc1cc(C[NH2+]C[C@]2(C)CCC[NH2+]C2)cc(Cl)c1OC ZINC000414902568 428453132 /nfs/dbraw/zinc/45/31/32/428453132.db2.gz KSQHDQBSJCLEGP-MRXNPFEDSA-N 2 0 312.841 2.837 20 0 DFADRP Cc1ccc(NC(=O)C[C@H](C)N[C@@H]2C[NH2+]CC[C@H]2C)cc1Cl ZINC000414910844 428455681 /nfs/dbraw/zinc/45/56/81/428455681.db2.gz CVWLYIDDRCFKDO-DVOMOZLQSA-N 2 0 323.868 2.953 20 0 DFADRP COc1ccc(C[C@@H](C)[NH2+]C[C@@]2(C)CCC[NH2+]C2)cc1OC ZINC000414918992 428456109 /nfs/dbraw/zinc/45/61/09/428456109.db2.gz VQYMIGZOORWDPV-KDOFPFPSSA-N 2 0 306.450 2.614 20 0 DFADRP Cc1cccc(NC(=O)C[C@H](C)[NH2+]C[C@@]2(C)CCC[NH2+]C2)c1C ZINC000414919148 428456145 /nfs/dbraw/zinc/45/61/45/428456145.db2.gz WGYXADVMBZCIPD-KXBFYZLASA-N 2 0 317.477 3.000 20 0 DFADRP Cn1cc(-c2ccc(C[NH2+]C[C@@]3(C)CCC[NH2+]C3)s2)cn1 ZINC000414918453 428456948 /nfs/dbraw/zinc/45/69/48/428456948.db2.gz UKOCOVQCYIJBBU-INIZCTEOSA-N 2 0 304.463 2.628 20 0 DFADRP C[C@H](C[C@H]1CCCCC[NH2+]1)NC[C@@H]1[NH2+]CCc2ccccc21 ZINC000414955488 428470756 /nfs/dbraw/zinc/47/07/56/428470756.db2.gz NDYYNXOJZGHSHH-SUMDDJOVSA-N 2 0 301.478 2.774 20 0 DFADRP C[NH+]1CCC(Oc2ccc(C[NH2+][C@H]3CCCOCC3)cc2)CC1 ZINC000342810759 428462627 /nfs/dbraw/zinc/46/26/27/428462627.db2.gz BUJCEUBAPWNIOA-KRWDZBQOSA-N 2 0 318.461 2.818 20 0 DFADRP CC[C@H](N[C@@H]1CC[N@H+](C)[C@@H](C)C1)c1nnc2n1CCCCC2 ZINC000360850140 428462743 /nfs/dbraw/zinc/46/27/43/428462743.db2.gz BCNFEXHTAWTZIF-ZNMIVQPWSA-N 2 0 305.470 2.528 20 0 DFADRP COc1cc(C[NH2+][C@@H]2CCC[C@H]([NH3+])C2)ccc1OC(F)F ZINC000414936254 428463282 /nfs/dbraw/zinc/46/32/82/428463282.db2.gz ZDXQGRBDNLEDND-NWDGAFQWSA-N 2 0 300.349 2.656 20 0 DFADRP C[C@@H](CCN1CC[NH+](C)CC1)[NH2+][C@@H](C)C1CCC(F)(F)CC1 ZINC000353276003 428464091 /nfs/dbraw/zinc/46/40/91/428464091.db2.gz UUMQNRHOACBDMM-GJZGRUSLSA-N 2 0 317.468 2.816 20 0 DFADRP Cc1c([C@@H](C)[NH2+]CCCC[NH+](C)C)nnn1-c1ccccc1 ZINC000360855724 428464219 /nfs/dbraw/zinc/46/42/19/428464219.db2.gz FXVSWTIWLSXMFG-CQSZACIVSA-N 2 0 301.438 2.568 20 0 DFADRP C[C@H]([NH2+]C1CCN(CC[NH+](C)C)CC1)C1CCC(F)(F)CC1 ZINC000353278903 428464648 /nfs/dbraw/zinc/46/46/48/428464648.db2.gz QEYJGXCMOFEXHQ-AWEZNQCLSA-N 2 0 317.468 2.816 20 0 DFADRP CC[NH+](CC)Cc1cccc(NC(=O)[C@H]2CCC[C@H]2C[NH3+])c1 ZINC000388063072 428465630 /nfs/dbraw/zinc/46/56/30/428465630.db2.gz MLVKLFOINZDWMO-RDJZCZTQSA-N 2 0 303.450 2.842 20 0 DFADRP Cc1ccc(NC(=O)C[C@H](C)[NH2+][C@H]2CC[NH2+]C[C@H]2C)cc1Cl ZINC000414947818 428466218 /nfs/dbraw/zinc/46/62/18/428466218.db2.gz XBYMIGCEJUBFJO-WWGRRREGSA-N 2 0 323.868 2.953 20 0 DFADRP C[C@H](CC(=O)Nc1cccc(Cl)c1)[NH2+][C@H]1CC[NH2+]C[C@@H]1C ZINC000414948169 428469450 /nfs/dbraw/zinc/46/94/50/428469450.db2.gz XWLAGHSOEUHHKC-ZOWXZIJZSA-N 2 0 309.841 2.645 20 0 DFADRP COc1ccc(NC(=O)C[C@H](C)[NH2+][C@@H]2CCCC[C@@H]2C[NH3+])cc1 ZINC000414799697 428414985 /nfs/dbraw/zinc/41/49/85/428414985.db2.gz KIPWAARHWRMLEL-JJRVBVJISA-N 2 0 319.449 2.519 20 0 DFADRP CCC(C)(C)[NH2+][C@H](C)C(=O)NCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000347033686 428415048 /nfs/dbraw/zinc/41/50/48/428415048.db2.gz FFOYULVZJPJCHS-OWCLPIDISA-N 2 0 311.514 2.637 20 0 DFADRP CC[NH+](CC)CCO[C@H]1CC[N@H+](C[C@@H]2Cc3ccccc32)C1 ZINC000347034917 428415936 /nfs/dbraw/zinc/41/59/36/428415936.db2.gz PBUXQJFXISPRJW-ROUUACIJSA-N 2 0 302.462 2.759 20 0 DFADRP Cc1ccc(NC(=O)C[C@H](C)[NH2+][C@@H]2CCC[C@H]2C[NH3+])c(C)c1 ZINC000414798474 428416356 /nfs/dbraw/zinc/41/63/56/428416356.db2.gz JGGNCSQPHHJSHV-YQQAZPJKSA-N 2 0 303.450 2.738 20 0 DFADRP CCCC[C@@H](C[NH3+])NC1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000414807829 428418255 /nfs/dbraw/zinc/41/82/55/428418255.db2.gz DGLJCDXYJANSIH-IBGZPJMESA-N 2 0 321.484 2.940 20 0 DFADRP CCC(C)(C)[NH2+][C@H](C)C(=O)NCCCC[NH+]1CCC(C)CC1 ZINC000347037910 428418667 /nfs/dbraw/zinc/41/86/67/428418667.db2.gz HCMNJYVEXBAERP-MRXNPFEDSA-N 2 0 311.514 2.781 20 0 DFADRP CCC([NH3+])(CC)C[NH2+][C@H](C)CC(=O)Nc1cccc(OC)c1 ZINC000414810017 428419162 /nfs/dbraw/zinc/41/91/62/428419162.db2.gz NGRZLKUTVDAJRV-CYBMUJFWSA-N 2 0 307.438 2.519 20 0 DFADRP [NH3+]C[C@@H]1CCC[N@H+](Cc2c[nH]nc2-c2cccc(Cl)c2)C1 ZINC000347043442 428420365 /nfs/dbraw/zinc/42/03/65/428420365.db2.gz MURPYQHQLYRFFD-LBPRGKRZSA-N 2 0 304.825 2.901 20 0 DFADRP CSC1(C[NH2+]Cc2c[nH]nc2C(C)(C)C)CC[NH+](C)CC1 ZINC000353183672 428420391 /nfs/dbraw/zinc/42/03/91/428420391.db2.gz HVGJABASRXNLED-UHFFFAOYSA-N 2 0 310.511 2.624 20 0 DFADRP C[C@@H]1C[NH2+]CC[C@H]1[NH2+]C1CCN(Cc2ccccc2Cl)CC1 ZINC000414949002 428469756 /nfs/dbraw/zinc/46/97/56/428469756.db2.gz ZGMXFEWYBXZTQL-RDTXWAMCSA-N 2 0 321.896 2.892 20 0 DFADRP C[C@@H]([NH2+]Cc1ccc(-c2cnn(C)c2)s1)[C@@H]1CCC[NH2+]C1 ZINC000414817495 428422561 /nfs/dbraw/zinc/42/25/61/428422561.db2.gz ARIBSEQRCUQEDY-CHWSQXEVSA-N 2 0 304.463 2.626 20 0 DFADRP C[C@@H](CC(=O)Nc1cccc(Cl)c1)[NH2+]C[C@@H]1CCC[NH2+]C1 ZINC000414826819 428423434 /nfs/dbraw/zinc/42/34/34/428423434.db2.gz JREYPKDOFAMBPT-QWHCGFSZSA-N 2 0 309.841 2.646 20 0 DFADRP Cc1ccc(NC(=O)C[C@@H](C)[NH2+]C[C@@H]2CCC[NH2+]C2)c(C)c1 ZINC000414821644 428424412 /nfs/dbraw/zinc/42/44/12/428424412.db2.gz BGVXIVLVACMYAY-HZPDHXFCSA-N 2 0 303.450 2.610 20 0 DFADRP C[C@H](CC(=O)Nc1ccccc1C(F)(F)F)[NH2+]CC[C@H](C)[NH3+] ZINC000414824127 428424556 /nfs/dbraw/zinc/42/45/56/428424556.db2.gz QAZGGYKUPLHWDT-WDEREUQCSA-N 2 0 317.355 2.749 20 0 DFADRP Cc1cc(Br)c(C[NH2+]CC[C@H]2CC[NH2+]C2)s1 ZINC000414826536 428424680 /nfs/dbraw/zinc/42/46/80/428424680.db2.gz FPSCYLLHSXUBGN-SNVBAGLBSA-N 2 0 303.269 2.908 20 0 DFADRP CCc1noc(C2CCC([NH2+]CC3(C)CC[NH+](C)CC3)CC2)n1 ZINC000378542953 428424937 /nfs/dbraw/zinc/42/49/37/428424937.db2.gz IIGNYDMCFYVSSO-UHFFFAOYSA-N 2 0 320.481 2.980 20 0 DFADRP Clc1ccccc1CN1CCC([NH2+]C[C@@H]2CCC[NH2+]C2)CC1 ZINC000414827971 428425108 /nfs/dbraw/zinc/42/51/08/428425108.db2.gz LKPJVVVUSYPDCD-OAHLLOKOSA-N 2 0 321.896 2.894 20 0 DFADRP C[NH2+]C1CCN(Cc2cn(C)nc2-c2ccccc2Cl)CC1 ZINC000347050669 428426045 /nfs/dbraw/zinc/42/60/45/428426045.db2.gz RAYVZWGELATXII-UHFFFAOYSA-N 2 0 318.852 2.924 20 0 DFADRP COCC[C@H](Cc1cccc(F)c1)[NH2+]CC[C@@H]1CCC[NH2+]C1 ZINC000414831764 428426867 /nfs/dbraw/zinc/42/68/67/428426867.db2.gz DPZVTJHLTYKHGS-MAUKXSAKSA-N 2 0 308.441 2.753 20 0 DFADRP C[C@H]1C[C@@H](NC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC[N@@H+]1Cc1ccccc1 ZINC000414831146 428427462 /nfs/dbraw/zinc/42/74/62/428427462.db2.gz PPELVLMRTMMMGY-SPMPPSESSA-N 2 0 313.489 2.912 20 0 DFADRP C[NH2+]C[C@@H](C)C[NH2+][C@@H](C)Cc1ccc(Br)cc1F ZINC000414831577 428427763 /nfs/dbraw/zinc/42/77/63/428427763.db2.gz DDYCXGOCLUWXOC-MNOVXSKESA-N 2 0 317.246 2.964 20 0 DFADRP CC(C)[NH+]1CCC(NC(=O)C[N@@H+]2CCCC23CCCCC3)CC1 ZINC000372277928 428427827 /nfs/dbraw/zinc/42/78/27/428427827.db2.gz MSVJMXXDJPTXRV-UHFFFAOYSA-N 2 0 321.509 2.774 20 0 DFADRP C[C@@H](CC(=O)Nc1ccc(F)cc1)[NH2+]CC1([NH3+])CCCCC1 ZINC000414836792 428428891 /nfs/dbraw/zinc/42/88/91/428428891.db2.gz GKMGUMAAZQFHBR-ZDUSSCGKSA-N 2 0 307.413 2.794 20 0 DFADRP C[C@@H](CC(=O)Nc1cccc(Cl)c1)[NH2+]CC[C@H]1CC[NH2+]C1 ZINC000414839355 428430640 /nfs/dbraw/zinc/43/06/40/428430640.db2.gz WCFMXKPLYRANOH-QWHCGFSZSA-N 2 0 309.841 2.646 20 0 DFADRP [NH3+][C@H](CNC1CC[NH+](CCc2ccccc2)CC1)c1ccccc1 ZINC000414841525 428431284 /nfs/dbraw/zinc/43/12/84/428431284.db2.gz YCXXRQMTDIYTIE-OAQYLSRUSA-N 2 0 323.484 2.983 20 0 DFADRP C[NH+](C)[C@@H]1CCC[C@H]([NH2+]C2CCN(c3nccs3)CC2)C1 ZINC000378582832 428433212 /nfs/dbraw/zinc/43/32/12/428433212.db2.gz PKINAIGANWIOEA-LSDHHAIUSA-N 2 0 308.495 2.574 20 0 DFADRP COCC1(C[NH2+][C@@H](C)CCc2ccc(OC)cc2)CC[NH2+]CC1 ZINC000414980092 428479606 /nfs/dbraw/zinc/47/96/06/428479606.db2.gz VPQUGMLXZCDNLE-INIZCTEOSA-N 2 0 320.477 2.622 20 0 DFADRP COCC1(C[NH2+]Cc2cccc(OC(C)C)c2)CC[NH2+]CC1 ZINC000414979687 428481067 /nfs/dbraw/zinc/48/10/67/428481067.db2.gz VDXQOSNWDWOUDR-UHFFFAOYSA-N 2 0 306.450 2.580 20 0 DFADRP C[N@H+]1CC=C(C[NH2+][C@H]2CCC[C@@H]2CNC(=O)OC(C)(C)C)CC1 ZINC000392201799 428481194 /nfs/dbraw/zinc/48/11/94/428481194.db2.gz JOGUESHMPXDKFH-CVEARBPZSA-N 2 0 323.481 2.531 20 0 DFADRP CCC[N@H+](C)CC(=O)N1CCC(CCC[NH+](CC)CC)CC1 ZINC000360891911 428481494 /nfs/dbraw/zinc/48/14/94/428481494.db2.gz SZBBCJOUQZEFME-UHFFFAOYSA-N 2 0 311.514 2.689 20 0 DFADRP C[C@@H](C[C@H]1CCC[NH2+]1)NC[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC000414990569 428481706 /nfs/dbraw/zinc/48/17/06/428481706.db2.gz ABVYCUBPJYYFCU-IAAVTCLWSA-N 3 0 319.468 2.639 20 0 DFADRP CC[C@@H]([NH3+])C[NH2+][C@@H](C)Cc1ccc(Br)cc1F ZINC000414996369 428482283 /nfs/dbraw/zinc/48/22/83/428482283.db2.gz XQNFAHCEJYJATF-JOYOIKCWSA-N 2 0 303.219 2.846 20 0 DFADRP COCC[N@H+](C)CCC[NH2+][C@@H]1CC(C)(C)c2cc(OC)ccc21 ZINC000353317941 428483017 /nfs/dbraw/zinc/48/30/17/428483017.db2.gz ZBNKTSFHCGUXAT-GOSISDBHSA-N 2 0 320.477 2.976 20 0 DFADRP C[NH2+][C@@H](C)CN[C@@H](C)Cc1ccc(Br)c(F)c1 ZINC000414991582 428483613 /nfs/dbraw/zinc/48/36/13/428483613.db2.gz SMPWUUZIIOEEJW-UWVGGRQHSA-N 2 0 303.219 2.717 20 0 DFADRP C[C@H](c1ccccc1)N1CC[C@H]([NH2+]C[C@H]2CCC[C@@H]([NH3+])C2)C1 ZINC000414996631 428483773 /nfs/dbraw/zinc/48/37/73/428483773.db2.gz GNMSYEKUUSLQDI-JFRXWTBNSA-N 2 0 301.478 2.929 20 0 DFADRP CCCN(Cc1cn(-c2cc[nH+]cc2)nc1C)C1CC[NH2+]CC1 ZINC000347180653 428485182 /nfs/dbraw/zinc/48/51/82/428485182.db2.gz VGUFREJLBBYGNM-UHFFFAOYSA-N 2 0 313.449 2.540 20 0 DFADRP [NH3+][C@@H]1CCC[C@H](C[NH2+]C2CCN(CCC(F)(F)F)CC2)C1 ZINC000415012476 428488156 /nfs/dbraw/zinc/48/81/56/428488156.db2.gz XIOMKQAMVNNBMP-QWHCGFSZSA-N 2 0 307.404 2.510 20 0 DFADRP C[C@H](CCc1ccc2c(c1)OCO2)[NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000415005695 428488177 /nfs/dbraw/zinc/48/81/77/428488177.db2.gz JLNJWJVJYMFCII-XOKHGSTOSA-N 2 0 316.445 2.714 20 0 DFADRP COCC[C@H](Cc1cccc(F)c1)[NH2+]C[C@H]1CCC[C@H]([NH3+])C1 ZINC000415006713 428488343 /nfs/dbraw/zinc/48/83/43/428488343.db2.gz QQMXDCJBSAOZKY-RYQLBKOJSA-N 2 0 308.441 2.880 20 0 DFADRP COc1cc(C[NH2+][C@@H]2C[C@H]2C2CC[NH2+]CC2)cc(Cl)c1OC ZINC000415008645 428488563 /nfs/dbraw/zinc/48/85/63/428488563.db2.gz NCAFOACTHAXPPX-DZGCQCFKSA-N 2 0 324.852 2.835 20 0 DFADRP Clc1cc2c(c(C[NH2+][C@@H]3C[C@H]3C3CC[NH2+]CC3)c1)OCC2 ZINC000415005728 428488783 /nfs/dbraw/zinc/48/87/83/428488783.db2.gz JMQMKYUDXIPHFY-JKSUJKDBSA-N 2 0 306.837 2.753 20 0 DFADRP CN(C)c1cc(NC(=O)c2ccc(Cn3ccnc3)cc2)ccn1 ZINC000347197174 428489078 /nfs/dbraw/zinc/48/90/78/428489078.db2.gz IKLSGZSJFPPAHU-UHFFFAOYSA-N 2 0 321.384 2.645 20 0 DFADRP COCCOc1ccc(C[NH2+]C[C@H]2CC[C@H](C[NH3+])CC2)cc1 ZINC000415023047 428490670 /nfs/dbraw/zinc/49/06/70/428490670.db2.gz KEWMZXBVUHACCL-WKILWMFISA-N 2 0 306.450 2.567 20 0 DFADRP C[C@@H]1CN(Cc2ccccc2)C[C@H]1[NH2+]C[C@H]1CC[C@H](C[NH3+])CC1 ZINC000415023717 428491025 /nfs/dbraw/zinc/49/10/25/428491025.db2.gz LSSPFJXKYCLFMP-SOAMZJECSA-N 2 0 315.505 2.862 20 0 DFADRP C[C@H](Cc1ccc(Br)cc1F)[NH2+][C@@H](C)[C@H](C)[NH3+] ZINC000415023289 428491406 /nfs/dbraw/zinc/49/14/06/428491406.db2.gz WNTMETLMVSGETL-UTLUCORTSA-N 2 0 303.219 2.845 20 0 DFADRP CCOC(=O)[C@@H]1CC[C@H]([NH2+]C[C@H]2CC[C@H](C[NH3+])CC2)C[C@@H]1C ZINC000415018789 428491479 /nfs/dbraw/zinc/49/14/79/428491479.db2.gz CIQPYDYEPNKYDZ-QUSNUVHPSA-N 2 0 310.482 2.709 20 0 DFADRP CC(C)C[C@@H]([NH2+][C@@H](C)c1ccccc1F)C(=O)NCC[NH+](C)C ZINC000347204950 428493650 /nfs/dbraw/zinc/49/36/50/428493650.db2.gz QHRCBQIUSOABDD-WMLDXEAASA-N 2 0 323.456 2.569 20 0 DFADRP C[N@H+](Cc1ccc(Br)c2cccnc12)C1CC([NH3+])C1 ZINC000395065409 428493772 /nfs/dbraw/zinc/49/37/72/428493772.db2.gz WOKVYPDKLVLEAV-UHFFFAOYSA-N 2 0 320.234 2.919 20 0 DFADRP c1cnn(-c2cccc(C[N@@H+]3CCCC[C@@H]3[C@H]3CC[NH2+]C3)c2)c1 ZINC000415037694 428496476 /nfs/dbraw/zinc/49/64/76/428496476.db2.gz HDBHADHTINBRJS-PKOBYXMFSA-N 2 0 310.445 2.836 20 0 DFADRP CC1(c2ccccc2)CCC([NH2+]C[C@H]2C[NH2+]CCCO2)CC1 ZINC000415041766 428497831 /nfs/dbraw/zinc/49/78/31/428497831.db2.gz PWEIODGILWQSDK-JLAWEPINSA-N 2 0 302.462 2.855 20 0 DFADRP [NH3+]C[C@@H]1CC[C@H]([NH2+]Cc2ccc(OCc3ccncc3)cc2)C1 ZINC000415043867 428498380 /nfs/dbraw/zinc/49/83/80/428498380.db2.gz SDTXVZXDBWLJIX-MSOLQXFVSA-N 2 0 311.429 2.878 20 0 DFADRP C[C@@H]1CN([C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)C[C@@]1(C)C[NH3+] ZINC000415057244 428502471 /nfs/dbraw/zinc/50/24/71/428502471.db2.gz PKTLMSKFYZUZEX-LCLWPZTBSA-N 2 0 315.505 2.956 20 0 DFADRP C[C@@H]1CN(C2CC[NH+]([C@H]3CCCC[C@H]3C)CC2)C[C@@]1(C)C[NH3+] ZINC000415054329 428503248 /nfs/dbraw/zinc/50/32/48/428503248.db2.gz LSYFZCZBMMDCJQ-ZAWLATJESA-N 2 0 307.526 2.946 20 0 DFADRP COCCOc1cccc(C[N@@H+]2CCCC[C@@H]2[C@H]2CC[NH2+]C2)c1 ZINC000415054758 428503328 /nfs/dbraw/zinc/50/33/28/428503328.db2.gz QJWIMTRMGWGEAK-PKOBYXMFSA-N 2 0 318.461 2.676 20 0 DFADRP CCN(C)c1ccc(C[N@@H+]2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)cn1 ZINC000415056591 428504782 /nfs/dbraw/zinc/50/47/82/428504782.db2.gz SMQAYDRNMHFTMD-IAGOWNOFSA-N 2 0 302.466 2.502 20 0 DFADRP Cn1nnc2cc(C[NH2+][C@H](CCC[NH3+])c3ccccc3)ccc21 ZINC000415054944 428504907 /nfs/dbraw/zinc/50/49/07/428504907.db2.gz ODLQDGLWVSIKSL-MRXNPFEDSA-N 2 0 309.417 2.538 20 0 DFADRP C[C@@H]1CN([C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)C[C@@]1(C)C[NH3+] ZINC000415057249 428505133 /nfs/dbraw/zinc/50/51/33/428505133.db2.gz PKTLMSKFYZUZEX-PIKOESSRSA-N 2 0 315.505 2.956 20 0 DFADRP CC[NH+]1CCC(CC[NH2+]Cc2cn(C)nc2C(F)F)CC1 ZINC000360950449 428506380 /nfs/dbraw/zinc/50/63/80/428506380.db2.gz CPHDVDJZIBDVDD-UHFFFAOYSA-N 2 0 300.397 2.569 20 0 DFADRP C[C@H](Cc1ccccc1F)[NH2+]C1CCC([NH+]2CCNCC2)CC1 ZINC000415061887 428506758 /nfs/dbraw/zinc/50/67/58/428506758.db2.gz YZTVZFMBDBXUGQ-FAEJEUNOSA-N 2 0 319.468 2.563 20 0 DFADRP CC(C)N(C)c1ccc(C[N@@H+]2CCCC[C@H]2[C@H]2CC[NH2+]C2)cn1 ZINC000415060866 428506935 /nfs/dbraw/zinc/50/69/35/428506935.db2.gz ZBWVRUBTIXRDEO-ROUUACIJSA-N 2 0 316.493 2.890 20 0 DFADRP C[C@@H]1C[C@@H](C)[N@H+](CCC(=O)Nc2cccc(Cl)c2)C[C@@H]1C[NH3+] ZINC000397349818 428508763 /nfs/dbraw/zinc/50/87/63/428508763.db2.gz HYYPDHZWVYYPMQ-MCIONIFRSA-N 2 0 323.868 2.974 20 0 DFADRP C[C@@H](C[C@H]1CCCCC[NH2+]1)[NH2+]CCn1cnc2ccccc21 ZINC000415074544 428508796 /nfs/dbraw/zinc/50/87/96/428508796.db2.gz AOCNSZWLFBGBCE-JKSUJKDBSA-N 2 0 300.450 2.937 20 0 DFADRP CC1CCN(CC[NH2+]CCCc2ccc3c(c2)CCO3)CC1 ZINC000360955560 428509073 /nfs/dbraw/zinc/50/90/73/428509073.db2.gz JLDIJAXYOMVEKG-UHFFFAOYSA-N 2 0 302.462 2.876 20 0 DFADRP CC(C)[C@H]([NH2+][C@H](C)[C@H]1CC[NH2+]C1)c1ccc2c(c1)OCCO2 ZINC000415072866 428509809 /nfs/dbraw/zinc/50/98/09/428509809.db2.gz AFSNEYHBLPBFBD-XUWXXGDYSA-N 2 0 304.434 2.743 20 0 DFADRP COc1ccc(C(C)(C)C[NH2+][C@H](C)[C@@H]2CC[NH2+]C2)cc1OC ZINC000415074679 428510802 /nfs/dbraw/zinc/51/08/02/428510802.db2.gz DCNIJZWVPGFVIY-ZIAGYGMSSA-N 2 0 306.450 2.569 20 0 DFADRP C[NH+]1CCC(O)(C[NH2+]Cc2cc(Cl)sc2Cl)CC1 ZINC000397505443 428512355 /nfs/dbraw/zinc/51/23/55/428512355.db2.gz CUQNHGQEBSIFCZ-UHFFFAOYSA-N 2 0 309.262 2.601 20 0 DFADRP CC1CCN(c2ccc(C[NH2+]C[C@H]3CC[NH2+][C@@H](C)C3)cn2)CC1 ZINC000415080131 428512672 /nfs/dbraw/zinc/51/26/72/428512672.db2.gz IVUMVVAKOIHPFO-IRXDYDNUSA-N 2 0 316.493 2.796 20 0 DFADRP CCc1nn(C)c(CC)c1C[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000415078558 428513614 /nfs/dbraw/zinc/51/36/14/428513614.db2.gz GODLZUGTSRUWEI-KBRIMQKVSA-N 2 0 304.482 2.555 20 0 DFADRP C[C@]1(CN[C@@H]2CCC[C@@H]2C[NH3+])CCC[N@@H+]1Cc1ccccc1 ZINC000397981233 428514395 /nfs/dbraw/zinc/51/43/95/428514395.db2.gz GYORKLLJHDOBDB-GUDVDZBRSA-N 2 0 301.478 2.758 20 0 DFADRP C[C@]1(C[NH2+]C2CCC([NH3+])CC2)CCCN1Cc1ccccc1 ZINC000398010991 428514453 /nfs/dbraw/zinc/51/44/53/428514453.db2.gz MJERVVLKVVZIQY-CTWPCTMYSA-N 2 0 301.478 2.901 20 0 DFADRP [NH3+]C1CCC([NH2+]Cc2ccc(N3CCCCCC3)nc2)CC1 ZINC000415085789 428514780 /nfs/dbraw/zinc/51/47/80/428514780.db2.gz QWRCGMDVKUQOIA-UHFFFAOYSA-N 2 0 302.466 2.822 20 0 DFADRP C[C@@H](C[C@@H]1CCC[NH2+]1)[NH2+]CCc1nccn1Cc1ccccc1 ZINC000415085592 428515283 /nfs/dbraw/zinc/51/52/83/428515283.db2.gz QWGRYOUQSZTCPX-WMZOPIPTSA-N 2 0 312.461 2.594 20 0 DFADRP C[C@H]([NH2+]Cc1cc(F)cc(Br)c1)[C@@H]1CC[NH2+]C1 ZINC000415090289 428515749 /nfs/dbraw/zinc/51/57/49/428515749.db2.gz YWUIJYLGPTYXQL-GXSJLCMTSA-N 2 0 301.203 2.676 20 0 DFADRP [NH3+]CC1CCC([NH2+][C@H]2CCN(c3c(F)cccc3F)C2)CC1 ZINC000415086338 428515932 /nfs/dbraw/zinc/51/59/32/428515932.db2.gz RLNMLNPKLRRLGZ-RUXDESIVSA-N 2 0 309.404 2.651 20 0 DFADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000398004329 428515928 /nfs/dbraw/zinc/51/59/28/428515928.db2.gz AJFYXBDPCZNKDT-OWYHZJEWSA-N 2 0 301.478 2.757 20 0 DFADRP CC[NH+]1CCC(N(C)Cc2ccnn2-c2ccc(F)cc2)CC1 ZINC000353385181 428516228 /nfs/dbraw/zinc/51/62/28/428516228.db2.gz VVGQLLWFTZQWRV-UHFFFAOYSA-N 2 0 316.424 2.928 20 0 DFADRP COCCOc1ccc(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)cc1 ZINC000415091182 428516525 /nfs/dbraw/zinc/51/65/25/428516525.db2.gz PUWWYZAQEGPMBE-GUDVDZBRSA-N 2 0 318.461 2.722 20 0 DFADRP C[C@H]([NH2+]C1CCC([NH+](C)C)CC1)c1ccc(-n2cncn2)cc1 ZINC000353389267 428517800 /nfs/dbraw/zinc/51/78/00/428517800.db2.gz URDWJKUDSMPEQT-OOHWJJMZSA-N 2 0 313.449 2.791 20 0 DFADRP CCN(CCC[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1)CC(F)(F)F ZINC000347267314 428518924 /nfs/dbraw/zinc/51/89/24/428518924.db2.gz NYGMNNQSYSOLJY-HNNXBMFYSA-N 2 0 321.431 2.678 20 0 DFADRP C[C@H](N[C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1)[C@@H]1CCCC[NH2+]1 ZINC000398026299 428519296 /nfs/dbraw/zinc/51/92/96/428519296.db2.gz MBFOMZVZAUHZIA-DKKFBQAASA-N 2 0 301.478 2.770 20 0 DFADRP C[C@@H]1C[N@H+](C)CC[C@@H]1NC[C@@]1(C)CCC[NH+]1Cc1ccccc1 ZINC000398052117 428519331 /nfs/dbraw/zinc/51/93/31/428519331.db2.gz GHSNASDCFISWEH-YZGWKJHDSA-N 2 0 315.505 2.971 20 0 DFADRP COc1cc(F)c([C@H](C)[NH2+]C[C@H]2CC[NH2+][C@@H](C)C2)cc1OC ZINC000415093267 428519505 /nfs/dbraw/zinc/51/95/05/428519505.db2.gz UYZCGKCRIVATJZ-AVGNSLFASA-N 2 0 310.413 2.882 20 0 DFADRP C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1[NH2+]C1CCC([NH3+])CC1 ZINC000398051038 428520271 /nfs/dbraw/zinc/52/02/71/428520271.db2.gz XTFAGKAYQHCSMZ-HJZRJOMTSA-N 2 0 301.478 2.757 20 0 DFADRP FC(F)(F)[C@H]1CC[N@H+](C[C@H]2CCC[NH2+]C2)CC12CCOCC2 ZINC000415103744 428521961 /nfs/dbraw/zinc/52/19/61/428521961.db2.gz DABIVFMCGKMCII-KBPBESRZSA-N 2 0 320.399 2.667 20 0 DFADRP COc1cc(CN2CC[C@@H](C)[C@H](C[NH3+])C2)c(SC)cc1OC ZINC000415121969 428526225 /nfs/dbraw/zinc/52/62/25/428526225.db2.gz HWFPWWDPZPPKEU-TZMCWYRMSA-N 2 0 324.490 2.842 20 0 DFADRP C[C@H](CC[N@@H+]1CCC[C@@H](n2cc(C[NH3+])nn2)C1)c1ccccc1 ZINC000415130043 428532021 /nfs/dbraw/zinc/53/20/21/428532021.db2.gz PZRRTHVLLRWQQT-CRAIPNDOSA-N 2 0 313.449 2.568 20 0 DFADRP C[C@@H](Cc1ccccc1Br)[NH2+]C[C@H]1CCC[NH2+]C1 ZINC000415124847 428528283 /nfs/dbraw/zinc/52/82/83/428528283.db2.gz RRDPOEUNSDDMTP-STQMWFEESA-N 2 0 311.267 2.969 20 0 DFADRP Cc1cc(C)c(C[N@@H+]2CC3(CC[NH2+]CC3)[C@@H]3COC[C@@H]32)c(C)c1 ZINC000415123141 428529464 /nfs/dbraw/zinc/52/94/64/428529464.db2.gz AAJHVHHKGQYTBA-MOPGFXCFSA-N 2 0 314.473 2.812 20 0 DFADRP C[C@H](CC1CCCCC1)C[N@@H+]1CCC[C@H](n2cc(C[NH3+])nn2)C1 ZINC000415127441 428529503 /nfs/dbraw/zinc/52/95/03/428529503.db2.gz NBUDIAZJPDGXGF-QAPCUYQASA-N 2 0 319.497 2.980 20 0 DFADRP C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CN[C@@H]1CCC[NH2+]C1 ZINC000415123649 428529965 /nfs/dbraw/zinc/52/99/65/428529965.db2.gz PYXNMUBHQCEYQD-VQIMIIECSA-N 2 0 301.478 2.903 20 0 DFADRP C[C@H]1C[N@H+](C)C[C@H]1Nc1cccc(C[NH+]2C[C@@H](C)O[C@H](C)C2)c1 ZINC000342847430 428471789 /nfs/dbraw/zinc/47/17/89/428471789.db2.gz BSEQTKXUKFOTRS-WFXMFSGNSA-N 2 0 317.477 2.658 20 0 DFADRP C[C@@H]1C[NH2+]CC[C@@H]1NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000390623789 428473566 /nfs/dbraw/zinc/47/35/66/428473566.db2.gz CRXQRPNIGBONIC-PANBIXPWSA-N 2 0 313.489 2.770 20 0 DFADRP C[C@H]1C[NH2+]CC[C@@H]1[NH2+]Cc1c[nH]nc1-c1cccc(Cl)c1 ZINC000414963649 428474243 /nfs/dbraw/zinc/47/42/43/428474243.db2.gz UJSZVIJGPUMDHM-NHYWBVRUSA-N 2 0 304.825 2.818 20 0 DFADRP CSc1cc2c(cc1C[NH2+]CCC[C@H]1CCC[NH2+]1)OCCO2 ZINC000414967904 428475279 /nfs/dbraw/zinc/47/52/79/428475279.db2.gz HZAJSSKMJQEAKV-AWEZNQCLSA-N 2 0 322.474 2.802 20 0 DFADRP C[C@@H]1C[NH2+]CC[C@@H]1[NH2+]Cc1ccc(OCC(F)(F)F)c(F)c1 ZINC000414966903 428475453 /nfs/dbraw/zinc/47/54/53/428475453.db2.gz WTNPVBPJKWIACZ-MFKMUULPSA-N 2 0 320.330 2.854 20 0 DFADRP C[C@@H]([NH3+])[C@H](C)NC(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC000414964475 428475533 /nfs/dbraw/zinc/47/55/33/428475533.db2.gz MHAHYYAMDAKVHA-CABCVRRESA-N 2 0 318.465 2.572 20 0 DFADRP c1ccc(CCN2CCC([NH2+]CCC[C@@H]3CCC[NH2+]3)CC2)cc1 ZINC000414970092 428478702 /nfs/dbraw/zinc/47/87/02/428478702.db2.gz JWMSWZPSIDTPIC-IBGZPJMESA-N 2 0 315.505 2.815 20 0 DFADRP CC[C@H](C(=O)N[C@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1)[NH+](CC)CC ZINC000358123527 428584034 /nfs/dbraw/zinc/58/40/34/428584034.db2.gz MVWIQEPVDJLRFK-SOLBZPMBSA-N 2 0 323.525 2.876 20 0 DFADRP C[C@H]1CCCC[C@H]1[NH+]1CCC([NH2+]C2CCC(C(N)=O)CC2)CC1 ZINC000358179051 428586742 /nfs/dbraw/zinc/58/67/42/428586742.db2.gz QVZBLAZDISFRGS-MMIPBJDJSA-N 2 0 321.509 2.663 20 0 DFADRP C[C@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]C2CCC(C(N)=O)CC2)CC1 ZINC000358179054 428587680 /nfs/dbraw/zinc/58/76/80/428587680.db2.gz QVZBLAZDISFRGS-USSHROBNSA-N 2 0 321.509 2.663 20 0 DFADRP CCC[N@H+](CCN1CC[NH+](CC)CC1)Cc1ccsc1C ZINC000353545232 428588712 /nfs/dbraw/zinc/58/87/12/428588712.db2.gz CTABYDMMOKVVKL-UHFFFAOYSA-N 2 0 309.523 2.906 20 0 DFADRP CC1CCC(O)(C[N@H+](C)CCCN(C)Cc2ccco2)CC1 ZINC000353552353 428589906 /nfs/dbraw/zinc/58/99/06/428589906.db2.gz XZHGRNIAAKLMBT-UHFFFAOYSA-N 2 0 308.466 2.975 20 0 DFADRP CSC1(C[NH2+][C@H](C)Cc2ccc(O)cc2)CC[NH+](C)CC1 ZINC000353553242 428590890 /nfs/dbraw/zinc/59/08/90/428590890.db2.gz CHGJKQFXYYDTRY-CQSZACIVSA-N 2 0 308.491 2.740 20 0 DFADRP CC[C@H]([NH2+]CCN1CCCC[C@H]1CC)C1(C(=O)OC)CCC1 ZINC000353553326 428591481 /nfs/dbraw/zinc/59/14/81/428591481.db2.gz RKFLPUWYEGIOKM-CVEARBPZSA-N 2 0 310.482 2.962 20 0 DFADRP C[C@@H]1CC[N@H+](Cc2cn(C)nc2-c2cccs2)C[C@H]1C[NH3+] ZINC000415136601 428534837 /nfs/dbraw/zinc/53/48/37/428534837.db2.gz XKDUNGMIFHTSJA-CHWSQXEVSA-N 2 0 304.463 2.565 20 0 DFADRP CC[C@](C[NH2+]C1CCC(C[NH3+])CC1)(C(=O)OC)c1ccccc1 ZINC000415135637 428534864 /nfs/dbraw/zinc/53/48/64/428534864.db2.gz GMSSWFSYPMNJKT-GXOAENINSA-N 2 0 318.461 2.615 20 0 DFADRP [NH3+]CC1(O)CC[NH+](Cc2ccc(-c3ccccc3)s2)CC1 ZINC000415137105 428535079 /nfs/dbraw/zinc/53/50/79/428535079.db2.gz DWWOTUIEXCLQHQ-UHFFFAOYSA-N 2 0 302.443 2.701 20 0 DFADRP Clc1sccc1C[N@@H+]1CC2(CC[NH2+]CC2)[C@@H]2COC[C@@H]21 ZINC000415138930 428535466 /nfs/dbraw/zinc/53/54/66/428535466.db2.gz KVQGIZKEYZEREN-OLZOCXBDSA-N 2 0 312.866 2.602 20 0 DFADRP Fc1ccc(N2CC[C@H]([NH2+][C@@H]3CCC[C@H]3[C@H]3CCC[NH2+]3)C2)cc1 ZINC000415140000 428535521 /nfs/dbraw/zinc/53/55/21/428535521.db2.gz MNAHRIVCMFLFII-GDAAHCPNSA-N 2 0 317.452 2.915 20 0 DFADRP FC(F)c1ccc(C[N@@H+]2CC3(CC[NH2+]CC3)[C@@H]3COC[C@@H]32)cc1 ZINC000415144961 428536891 /nfs/dbraw/zinc/53/68/91/428536891.db2.gz WDRYDBBWVDCYSU-CVEARBPZSA-N 2 0 322.399 2.825 20 0 DFADRP Fc1ccc(Cl)cc1C[N@@H+]1CC2(CC[NH2+]CC2)[C@@H]2COC[C@@H]21 ZINC000415142749 428537961 /nfs/dbraw/zinc/53/79/61/428537961.db2.gz RSLGWAZNOJGUAF-ZBFHGGJFSA-N 2 0 324.827 2.680 20 0 DFADRP CCCC[N@H+](C)CCNC(=O)CCn1c(C)nc2ccccc21 ZINC000353448300 428538654 /nfs/dbraw/zinc/53/86/54/428538654.db2.gz OSDPCPSEKMEBMS-UHFFFAOYSA-N 2 0 316.449 2.583 20 0 DFADRP CC[NH+](CC)Cc1ccc(CNC(=O)[C@@H](C(C)C)[C@H](C)[NH3+])cc1 ZINC000399384911 428539566 /nfs/dbraw/zinc/53/95/66/428539566.db2.gz PONKZIGCQYCYMC-YJBOKZPZSA-N 2 0 319.493 2.764 20 0 DFADRP COCCOc1cccc(C[NH2+][C@@H]2CC[N@H+](C)[C@H]3CCC[C@H]32)c1 ZINC000353451522 428541757 /nfs/dbraw/zinc/54/17/57/428541757.db2.gz AEHZIOKUICFJSP-OTWHNJEPSA-N 2 0 318.461 2.674 20 0 DFADRP C[C@H](N[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)[C@@H]1CCC[NH2+]1 ZINC000400478994 428545755 /nfs/dbraw/zinc/54/57/55/428545755.db2.gz VSEHOTSKVPOMNP-JFRXWTBNSA-N 2 0 301.478 2.770 20 0 DFADRP C[C@H](C[NH2+][C@H](C)c1ccccc1-n1ccnn1)C[NH+]1CCCC1 ZINC000353456323 428546134 /nfs/dbraw/zinc/54/61/34/428546134.db2.gz VIXWVUUJFQCUMN-HZPDHXFCSA-N 2 0 313.449 2.650 20 0 DFADRP C[N@@H+]1CC[C@H]([NH2+]C2CCN(c3ccccn3)CC2)[C@@H]2CCC[C@H]21 ZINC000353465205 428548321 /nfs/dbraw/zinc/54/83/21/428548321.db2.gz WGIIQFBYQYPRRG-OKZBNKHCSA-N 2 0 314.477 2.513 20 0 DFADRP C[C@H]([NH2+]C[C@H]1CCCCN1Cc1ccccc1)[C@@H]1CC[NH2+]C1 ZINC000400757435 428548582 /nfs/dbraw/zinc/54/85/82/428548582.db2.gz XIIYKCRLCURUST-QXAKKESOSA-N 2 0 301.478 2.629 20 0 DFADRP C[N@@H+]1CC[C@H]([NH2+]C2CCN(c3ccccn3)CC2)[C@@H]2CCC[C@@H]21 ZINC000353465203 428549492 /nfs/dbraw/zinc/54/94/92/428549492.db2.gz WGIIQFBYQYPRRG-BZSNNMDCSA-N 2 0 314.477 2.513 20 0 DFADRP c1ccc(CN2CCC[C@@H]2C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000400961466 428549963 /nfs/dbraw/zinc/54/99/63/428549963.db2.gz GCKJGSBCHYYNIG-MTQWCTHYSA-N 3 0 313.489 2.629 20 0 DFADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCN[C@@H]2CC[NH+](C)[C@@H]3CCC[C@H]32)C1 ZINC000353465350 428550697 /nfs/dbraw/zinc/55/06/97/428550697.db2.gz SRQAWCXYPUCVRJ-ZWJWXYIHSA-N 2 0 307.526 2.817 20 0 DFADRP CC(C)O[C@@H]1C[C@H]([NH2+]C2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)C1(C)C ZINC000361235602 428551335 /nfs/dbraw/zinc/55/13/35/428551335.db2.gz CZSCCUIRQIARCP-ZJPYXAASSA-N 2 0 324.509 2.546 20 0 DFADRP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)CN1Cc1ccccc1 ZINC000401172963 428552146 /nfs/dbraw/zinc/55/21/46/428552146.db2.gz XOIKXTLYLPASAH-PKOFMYQESA-N 3 0 313.489 2.627 20 0 DFADRP C[C@H]1C[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)CO1 ZINC000401838021 428557964 /nfs/dbraw/zinc/55/79/64/428557964.db2.gz PLYMDEHWKHAHQP-OWZPZPLSSA-N 2 0 300.446 2.949 20 0 DFADRP C[C@@H]1C[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)CO1 ZINC000401838025 428558874 /nfs/dbraw/zinc/55/88/74/428558874.db2.gz PLYMDEHWKHAHQP-WFDLBOFBSA-N 2 0 300.446 2.949 20 0 DFADRP C[C@H]1C[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)CO1 ZINC000401838022 428559473 /nfs/dbraw/zinc/55/94/73/428559473.db2.gz PLYMDEHWKHAHQP-SBXRHNTMSA-N 2 0 300.446 2.949 20 0 DFADRP CC(C)CC[C@H](O)C[N@H+](C)C[C@@H]1CCN(C)[C@@H]1c1cccnc1 ZINC000361335426 428560328 /nfs/dbraw/zinc/56/03/28/428560328.db2.gz KGASDOPDJSEWSJ-GBESFXJTSA-N 2 0 319.493 2.803 20 0 DFADRP Cc1cncc(CC[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)n1 ZINC000402798248 428561013 /nfs/dbraw/zinc/56/10/13/428561013.db2.gz ODHRTCSSYCHMLD-JXFKEZNVSA-N 2 0 324.472 2.828 20 0 DFADRP C[C@@H](c1ccccc1)N(C)C(=O)C[N@@H+]1CCC[C@@H](C)[C@@H]1CC[NH3+] ZINC000404333153 428567394 /nfs/dbraw/zinc/56/73/94/428567394.db2.gz ZVVSJEOGYMZEEX-RYRKJORJSA-N 2 0 317.477 2.655 20 0 DFADRP C[NH+](C)CC1(C(=O)NC2CC([NH+]3CCCCC3)C2)CCCCC1 ZINC000357850848 428568237 /nfs/dbraw/zinc/56/82/37/428568237.db2.gz DUCVMINPGUVGCD-UHFFFAOYSA-N 2 0 321.509 2.632 20 0 DFADRP CCC[C@H](C(=O)N[C@H](C)[C@@H](c1ccccc1C)[NH+](C)C)[NH+](C)C ZINC000357853616 428568689 /nfs/dbraw/zinc/56/86/89/428568689.db2.gz CBYABDOPSWIPTI-NXHRZFHOSA-N 2 0 319.493 2.833 20 0 DFADRP CC(C)CC[C@H]([NH2+]C[C@H](C)N1CC[NH+](C)CC1)c1ccoc1 ZINC000353512020 428572290 /nfs/dbraw/zinc/57/22/90/428572290.db2.gz CIIGQRYYDGSVAS-WMZOPIPTSA-N 2 0 307.482 2.982 20 0 DFADRP CC(C)n1ncc2c1C[C@H]([NH2+][C@@H]1CC[N@@H+]3CCC[C@@H]3C1)CC2 ZINC000358018495 428576037 /nfs/dbraw/zinc/57/60/37/428576037.db2.gz AWJMHFUEKGCHGY-BRWVUGGUSA-N 2 0 302.466 2.538 20 0 DFADRP CCO[C@@H]1C[N@H+](CCOc2ccc3ccccc3c2)C[C@H]1C[NH3+] ZINC000405321327 428578098 /nfs/dbraw/zinc/57/80/98/428578098.db2.gz ZJTDTLLQVIPURB-IEBWSBKVSA-N 2 0 314.429 2.514 20 0 DFADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)[C@H]([NH3+])c2ccccc2)C1 ZINC000353525927 428579268 /nfs/dbraw/zinc/57/92/68/428579268.db2.gz OSZFXPFTWMAZGX-SOLBZPMBSA-N 2 0 317.477 2.561 20 0 DFADRP C[C@@H]1CCC[N@H+](CCCCNC(=O)c2ccc3c(c2)C[NH2+]C3)C1 ZINC000347531640 428599129 /nfs/dbraw/zinc/59/91/29/428599129.db2.gz OIFPOPJSFGQHIX-OAHLLOKOSA-N 2 0 315.461 2.532 20 0 DFADRP C[NH+]1CCC(O)(C[NH2+][C@H]2CCCOc3ccc(Cl)cc32)CC1 ZINC000361890057 428603593 /nfs/dbraw/zinc/60/35/93/428603593.db2.gz CVJDLETTXUWFLI-HNNXBMFYSA-N 2 0 324.852 2.600 20 0 DFADRP COc1cc(C)nc(C[NH+]2CCC(CCC[NH+](C)C)CC2)c1 ZINC000347577821 428609160 /nfs/dbraw/zinc/60/91/60/428609160.db2.gz GWJGEKAFYGDNRH-UHFFFAOYSA-N 2 0 305.466 2.952 20 0 DFADRP CSC1(C[NH2+][C@@H]2CC(C)(C)OC2(C)C)CC[NH+](C)CC1 ZINC000353611362 428620036 /nfs/dbraw/zinc/62/00/36/428620036.db2.gz OKHDMAJJYZGEFH-CYBMUJFWSA-N 2 0 300.512 2.750 20 0 DFADRP C[NH2+]Cc1ccccc1NC(=O)NC[C@H](C)C[NH+]1CCCCC1 ZINC000415901412 428620288 /nfs/dbraw/zinc/62/02/88/428620288.db2.gz MYZICYIGEKBHHI-HNNXBMFYSA-N 2 0 318.465 2.650 20 0 DFADRP C[NH2+]Cc1ccccc1NC(=O)NC1CC[NH+](CC(C)C)CC1 ZINC000415904911 428622812 /nfs/dbraw/zinc/62/28/12/428622812.db2.gz TUCDHBDEAHQNHM-UHFFFAOYSA-N 2 0 318.465 2.648 20 0 DFADRP C[N@@H+]1CC[C@H]([NH2+]Cc2ccccc2-n2cccn2)[C@@H]2CCC[C@@H]21 ZINC000353622606 428625303 /nfs/dbraw/zinc/62/53/03/428625303.db2.gz OLUSSWDDFOWAGK-LNLFQRSKSA-N 2 0 310.445 2.835 20 0 DFADRP Cn1ccc(C[NH2+]C2CCC([N@H+](C)Cc3ccccc3)CC2)n1 ZINC000353619741 428625352 /nfs/dbraw/zinc/62/53/52/428625352.db2.gz ILTJGSYCIDVFNQ-UHFFFAOYSA-N 2 0 312.461 2.953 20 0 DFADRP C[N@@H+]1CC[C@H]([NH2+]Cc2ccccc2-n2cccn2)[C@H]2CCC[C@H]21 ZINC000353622607 428626323 /nfs/dbraw/zinc/62/63/23/428626323.db2.gz OLUSSWDDFOWAGK-ZIFCJYIRSA-N 2 0 310.445 2.835 20 0 DFADRP C[NH2+]Cc1ccccc1NC(=O)NCC[N@H+](C)C1CCCCC1 ZINC000415922937 428627033 /nfs/dbraw/zinc/62/70/33/428627033.db2.gz OCZZMTOXIGJCSG-UHFFFAOYSA-N 2 0 318.465 2.792 20 0 DFADRP CC[NH2+]Cc1cccc(NC(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3C)c1 ZINC000415926756 428628233 /nfs/dbraw/zinc/62/82/33/428628233.db2.gz BZYYJJLETCJJKC-ALOPSCKCSA-N 2 0 316.449 2.543 20 0 DFADRP CC[NH2+]Cc1ccccc1NC(=O)N1CC[N@H+](CC)C[C@@H]1CC ZINC000415937620 428631945 /nfs/dbraw/zinc/63/19/45/428631945.db2.gz YKWSGOHVBMCWSA-INIZCTEOSA-N 2 0 318.465 2.744 20 0 DFADRP C[NH2+]Cc1cccc(NC(=O)NCC[N@@H+]2CCCC(C)(C)C2)c1 ZINC000415962788 428636869 /nfs/dbraw/zinc/63/68/69/428636869.db2.gz QFSVLLPTOWSYOJ-UHFFFAOYSA-N 2 0 318.465 2.650 20 0 DFADRP CC(C)[NH+](CCN(C)C(=O)Nc1ccc(C[NH3+])cc1)C(C)C ZINC000415965396 428637397 /nfs/dbraw/zinc/63/73/97/428637397.db2.gz YHOFSNLZRSAKKI-UHFFFAOYSA-N 2 0 306.454 2.728 20 0 DFADRP COCCC[NH+]1CCC([NH2+][C@@H]2CCCC[C@@H]2[C@@H]2CCOC2)CC1 ZINC000373702280 428637435 /nfs/dbraw/zinc/63/74/35/428637435.db2.gz XFRNIECVQQIGGX-BHIYHBOVSA-N 2 0 324.509 2.672 20 0 DFADRP CCCC[N@H+](C)C[C@@H](C)NC(=O)Nc1ccc(C[NH2+]C)cc1 ZINC000415978753 428639474 /nfs/dbraw/zinc/63/94/74/428639474.db2.gz CKVHGISUBHMLKC-CQSZACIVSA-N 2 0 306.454 2.648 20 0 DFADRP C[C@@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)Nc1ccc(C[NH3+])cc1 ZINC000415979441 428639595 /nfs/dbraw/zinc/63/95/95/428639595.db2.gz QVESUOSFRFSLHE-KFWWJZLASA-N 2 0 318.465 2.633 20 0 DFADRP CC1CC[NH+](CC2CC[NH+](C[C@H](O)CC(F)(F)F)CC2)CC1 ZINC000373724119 428639656 /nfs/dbraw/zinc/63/96/56/428639656.db2.gz BNLCGRKOXXRUFX-OAHLLOKOSA-N 2 0 322.415 2.744 20 0 DFADRP C[NH2+]Cc1ccc(NC(=O)NC[C@H](C)[N@@H+]2CCCC[C@H]2C)cc1 ZINC000415973912 428639910 /nfs/dbraw/zinc/63/99/10/428639910.db2.gz PREOOYDJMYJOES-CABCVRRESA-N 2 0 318.465 2.790 20 0 DFADRP C[NH2+]Cc1ccc(NC(=O)NC[C@@H](C)[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000415973918 428640129 /nfs/dbraw/zinc/64/01/29/428640129.db2.gz PREOOYDJMYJOES-LSDHHAIUSA-N 2 0 318.465 2.790 20 0 DFADRP CC[C@@]1(C(=O)NCC(C)(C)[NH2+][C@H](C)c2ccccc2)CC[NH2+]C1 ZINC000362158192 428642951 /nfs/dbraw/zinc/64/29/51/428642951.db2.gz CXAUARVAYOHDKA-DNVCBOLYSA-N 2 0 317.477 2.622 20 0 DFADRP CCC[C@](C)([NH3+])C(=O)NC[C@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000353666186 428646087 /nfs/dbraw/zinc/64/60/87/428646087.db2.gz YNCTXAZUQUNDPX-KMFMINBZSA-N 2 0 323.506 2.765 20 0 DFADRP C[C@@H]1CN(Cc2ccccc2)C[C@@H]1[NH2+]C1CCC([NH+](C)C)CC1 ZINC000353670613 428648586 /nfs/dbraw/zinc/64/85/86/428648586.db2.gz IDEQKPQOSCFDID-WQUXRXDGSA-N 2 0 315.505 2.969 20 0 DFADRP CCC[N@H+](CC)C[C@@H](C)NC(=O)Nc1ccc2c(c1)C[NH2+]C2 ZINC000416015629 428648987 /nfs/dbraw/zinc/64/89/87/428648987.db2.gz UBLSUSCXLOANPV-CYBMUJFWSA-N 2 0 304.438 2.532 20 0 DFADRP C/C=C\C[C@H](CO)[NH2+][C@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000348191063 428649318 /nfs/dbraw/zinc/64/93/18/428649318.db2.gz FLPRWZIQFOLXCC-MLJSMGRESA-N 2 0 302.462 2.814 20 0 DFADRP CC[N@@H+]1CC[C@@H]([NH+](C)CCc2ccc3c(c2)CCO3)C[C@H]1C ZINC000362184361 428652907 /nfs/dbraw/zinc/65/29/07/428652907.db2.gz IGTGUKRAZQTNOG-CRAIPNDOSA-N 2 0 302.462 2.969 20 0 DFADRP CC[N@H+](CCC1CC[NH+]([C@@H](C)C(=O)NC2CC2)CC1)CC(C)C ZINC000358746166 428653721 /nfs/dbraw/zinc/65/37/21/428653721.db2.gz QHDDQYCURAEMNW-INIZCTEOSA-N 2 0 323.525 2.734 20 0 DFADRP C(CC[N@@H+]1C[C@@H]2C[NH+]3CCCC[C@H]3[C@@H]2C1)CC1CCOCC1 ZINC000374155069 428666081 /nfs/dbraw/zinc/66/60/81/428666081.db2.gz AASQGWCNUYWOPP-QRVBRYPASA-N 2 0 306.494 2.999 20 0 DFADRP C[N@H+](Cc1ccccc1)CC(C)(C)C[NH+]1CC[C@@H](CCO)C1 ZINC000353689496 428660391 /nfs/dbraw/zinc/66/03/91/428660391.db2.gz PYRNUYVNCIEYNN-SFHVURJKSA-N 2 0 304.478 2.849 20 0 DFADRP C[C@H]1CC[C@H](C)[NH+]1CC(=O)NCCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000344505868 428670103 /nfs/dbraw/zinc/67/01/03/428670103.db2.gz BCNSVOJCOCVNPZ-MHORFTMASA-N 2 0 323.525 2.734 20 0 DFADRP C[C@@H]1C[N@H+](CC2CCCCCC2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000374255027 428670350 /nfs/dbraw/zinc/67/03/50/428670350.db2.gz OSQLGHAVMWNCBF-MJGOQNOKSA-N 2 0 307.526 2.915 20 0 DFADRP C[N@@H+]1CCCC[C@@H]1CCN1CCC[C@H](C(=O)OC(C)(C)C)C1 ZINC000362252239 428674296 /nfs/dbraw/zinc/67/42/96/428674296.db2.gz WIAPZLNKQFAEHL-JKSUJKDBSA-N 2 0 310.482 2.915 20 0 DFADRP c1ccc(C[NH+]2C[C@H]3C[NH+](CCc4cccnc4)C[C@@H]3C2)cc1 ZINC000348302281 428700357 /nfs/dbraw/zinc/70/03/57/428700357.db2.gz BVDDBTGZDHPGRK-WOJBJXKFSA-N 2 0 307.441 2.688 20 0 DFADRP Cc1cccc(C)c1NC(=O)CN1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000362316514 428700568 /nfs/dbraw/zinc/70/05/68/428700568.db2.gz DXQKUMAALSWQMX-DLBZAZTESA-N 2 0 315.461 2.658 20 0 DFADRP CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@H](C1CC1)[NH+]1CCCC1 ZINC000353764409 428704176 /nfs/dbraw/zinc/70/41/76/428704176.db2.gz XYBRFDRVFUMHQM-MSOLQXFVSA-N 2 0 321.509 2.632 20 0 DFADRP Cc1cc(N2CCC([NH2+][C@H]3CCC[C@H]4C[C@H]43)CC2)nc(C)n1 ZINC000374618006 428715342 /nfs/dbraw/zinc/71/53/42/428715342.db2.gz KBLMICQQFMZPTI-UAGQMJEPSA-N 2 0 300.450 2.840 20 0 DFADRP CCC[C@H]1[C@H](C)CCC[N@@H+]1CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000362364790 428719003 /nfs/dbraw/zinc/71/90/03/428719003.db2.gz VHFYZVINPFZOCP-QAPCUYQASA-N 2 0 321.509 2.630 20 0 DFADRP CSC1(C[NH2+]Cc2ccccc2C[N@@H+]2CCC[C@@H]2CO)CC1 ZINC000348254166 428679258 /nfs/dbraw/zinc/67/92/58/428679258.db2.gz NPVODHUMMSPZPG-QGZVFWFLSA-N 2 0 320.502 2.629 20 0 DFADRP C[C@H]([NH2+]CC[C@H]1CCOC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000348259505 428682139 /nfs/dbraw/zinc/68/21/39/428682139.db2.gz FZHHKROELYQDMV-YTQUADARSA-N 2 0 302.462 2.913 20 0 DFADRP CC[N@@H+]1CC[C@@H](N(C)Cc2ccc(C(=O)OC)cc2)C[C@@H]1C ZINC000353749789 428691119 /nfs/dbraw/zinc/69/11/19/428691119.db2.gz MLQRGCZECRRLGM-WMLDXEAASA-N 2 0 304.434 2.778 20 0 DFADRP C[C@@H]1C[C@H]([NH2+]Cc2c[nH]nc2-c2c(F)cccc2F)CC[N@@H+]1C ZINC000344685273 428694085 /nfs/dbraw/zinc/69/40/85/428694085.db2.gz QGGCLRZYEBOFNK-DGCLKSJQSA-N 2 0 320.387 2.927 20 0 DFADRP CCCC[N@H+](C)C[C@@H](C)NC(=O)C[C@H](c1ccccc1)[NH+](C)C ZINC000416233978 428694795 /nfs/dbraw/zinc/69/47/95/428694795.db2.gz LJFYASYQIVXQMW-SJLPKXTDSA-N 2 0 319.493 2.916 20 0 DFADRP COc1ccc(-c2n[nH]cc2C[NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)cc1 ZINC000344691185 428694887 /nfs/dbraw/zinc/69/48/87/428694887.db2.gz XKSNCSYBCOBDDM-CJNGLKHVSA-N 2 0 314.433 2.658 20 0 DFADRP CCS[C@H]1CCC[C@H]1[NH2+]CCCN1CC[NH+](C(C)C)CC1 ZINC000348476032 428754165 /nfs/dbraw/zinc/75/41/65/428754165.db2.gz FVJYGYYBQIECBN-SJORKVTESA-N 2 0 313.555 2.666 20 0 DFADRP COC(=O)[C@@H]1CC[N@H+](Cc2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC000411177547 428754329 /nfs/dbraw/zinc/75/43/29/428754329.db2.gz HOVWZUCBKMEBCD-GOSISDBHSA-N 2 0 316.445 2.667 20 0 DFADRP CCCNC(=O)CCC[N@@H+]1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000411227590 428762034 /nfs/dbraw/zinc/76/20/34/428762034.db2.gz VGMRUDDIBKXKSP-SFHVURJKSA-N 2 0 323.525 2.737 20 0 DFADRP C[NH+]1CCC(C)(C[NH2+][C@H](c2ccccc2)c2ccncn2)CC1 ZINC000358993206 428763209 /nfs/dbraw/zinc/76/32/09/428763209.db2.gz AWXRCSVJMSPXCQ-GOSISDBHSA-N 2 0 310.445 2.888 20 0 DFADRP C[C@@H]([NH2+]CCCN1CC[NH+](Cc2ccccc2)CC1)C1CCC1 ZINC000353911881 428773846 /nfs/dbraw/zinc/77/38/46/428773846.db2.gz GYMSNLYCEVEZIH-GOSISDBHSA-N 2 0 315.505 2.973 20 0 DFADRP CO[C@H]1CCN(CCOc2cccc(C(C)(C)C)c2)[C@@H](C[NH3+])C1 ZINC000359052870 428793523 /nfs/dbraw/zinc/79/35/23/428793523.db2.gz GUHLMEPQCRBLRL-SJORKVTESA-N 2 0 320.477 2.801 20 0 DFADRP COc1cccc(C[NH2+]CC2=CC[N@H+](C)CC2)c1OC(C)C ZINC000345189344 428793564 /nfs/dbraw/zinc/79/35/64/428793564.db2.gz RNPNNLKCAUBXDF-UHFFFAOYSA-N 2 0 304.434 2.834 20 0 DFADRP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1[NH2+]C[C@H](O)CC(F)(F)F ZINC000348412119 428736211 /nfs/dbraw/zinc/73/62/11/428736211.db2.gz ZPYYHNNXYXHUPW-MJBXVCDLSA-N 2 0 310.404 2.790 20 0 DFADRP C[C@H]1CN(CC[C@H]2CCC[N@@H+]2C)CC[NH+]1Cc1ccccc1 ZINC000411117653 428742654 /nfs/dbraw/zinc/74/26/54/428742654.db2.gz LXCNHDSDEFIUQB-PKOBYXMFSA-N 2 0 301.478 2.677 20 0 DFADRP Cc1c[nH+]ccc1NCCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000358950927 428744217 /nfs/dbraw/zinc/74/42/17/428744217.db2.gz LCQUQEJBCGVPBK-UHFFFAOYSA-N 2 0 324.472 2.826 20 0 DFADRP OC[C@H]1CCC[N@H+](Cc2cccc(C[NH+]3CCCCC3)c2)C1 ZINC000411150286 428749261 /nfs/dbraw/zinc/74/92/61/428749261.db2.gz VVYZTCCAYUJRMJ-IBGZPJMESA-N 2 0 302.462 2.877 20 0 DFADRP C[C@H]1CC[C@H](C)[NH+]1[C@H]1CCCN(C(=O)C[NH+]2CCC(C)CC2)C1 ZINC000353856237 428750030 /nfs/dbraw/zinc/75/00/30/428750030.db2.gz VWNAKZQROPVBBR-BZSNNMDCSA-N 2 0 321.509 2.582 20 0 DFADRP OCC1CC[NH+](Cc2cccc(C[NH+]3CCCCC3)c2)CC1 ZINC000411165348 428750292 /nfs/dbraw/zinc/75/02/92/428750292.db2.gz JSCLHZPNWJZCAY-UHFFFAOYSA-N 2 0 302.462 2.877 20 0 DFADRP CC(C)C[N@H+](CC(N)=O)Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000411163383 428751050 /nfs/dbraw/zinc/75/10/50/428751050.db2.gz ITLWJHHGEPFBHZ-UHFFFAOYSA-N 2 0 317.477 2.616 20 0 DFADRP OC1(CC[N@@H+]2CC[C@]3(CC[NH+](Cc4ccccc4)C3)C2)CCC1 ZINC000411721216 428846422 /nfs/dbraw/zinc/84/64/22/428846422.db2.gz RRDLLKHYHWAHBK-IBGZPJMESA-N 2 0 314.473 2.890 20 0 DFADRP CC[NH+]1CCC(NC(=O)C[NH2+][C@H]2CCCCC23CCCC3)CC1 ZINC000411743438 428849553 /nfs/dbraw/zinc/84/95/53/428849553.db2.gz IOBGQRKMLCXQAM-KRWDZBQOSA-N 2 0 321.509 2.680 20 0 DFADRP CC[N@H+](Cc1ccc(C(=O)N[C@@H](C)CC[NH+](C)C)cc1)C1CC1 ZINC000353962775 428795509 /nfs/dbraw/zinc/79/55/09/428795509.db2.gz UYFXMPSMFCKGAL-HNNXBMFYSA-N 2 0 317.477 2.741 20 0 DFADRP OC[C@H]1CSCC[N@@H+]1Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000411427969 428797218 /nfs/dbraw/zinc/79/72/18/428797218.db2.gz PIFXWRGIBNYZJV-SFHVURJKSA-N 2 0 320.502 2.582 20 0 DFADRP C[C@H](CCC[NH3+])NC(=O)NCC1([NH+]2CCCCC2)CCCCC1 ZINC000416817682 428801654 /nfs/dbraw/zinc/80/16/54/428801654.db2.gz IBWLAEOMIPXSKE-MRXNPFEDSA-N 2 0 324.513 2.602 20 0 DFADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)CCC(C)(C)C ZINC000348639498 428804317 /nfs/dbraw/zinc/80/43/17/428804317.db2.gz YTRJXFXOELEDPK-MRXNPFEDSA-N 2 0 311.514 2.687 20 0 DFADRP CCC[C@@H]([NH2+]CC(=O)NC1CC[NH+](CC)CC1)C1CCCCC1 ZINC000411486734 428805552 /nfs/dbraw/zinc/80/55/52/428805552.db2.gz IDJLDBDDMLDFNJ-GOSISDBHSA-N 2 0 323.525 2.926 20 0 DFADRP O[C@@H]1CC[C@H]2C[N@H+](Cc3ccc(C[NH+]4CCCCC4)cc3)C[C@H]12 ZINC000411497709 428806269 /nfs/dbraw/zinc/80/62/69/428806269.db2.gz ABBQPJKQLJGTBS-SLFFLAALSA-N 2 0 314.473 2.875 20 0 DFADRP CCC[N@H+](C)C[C@H]1CCN(C(=O)c2ccccc2C[NH+](C)C)C1 ZINC000362894791 428811230 /nfs/dbraw/zinc/81/12/30/428811230.db2.gz RBFFZPXRRIRXBG-MRXNPFEDSA-N 2 0 317.477 2.552 20 0 DFADRP C[C@H]([NH2+]CCC(=O)OC(C)(C)C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000411515682 428811935 /nfs/dbraw/zinc/81/19/35/428811935.db2.gz IGFCAYXGLBPHAQ-LSDHHAIUSA-N 2 0 310.482 2.961 20 0 DFADRP Cc1nnc([C@H](C)N[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)[nH]1 ZINC000411554715 428816358 /nfs/dbraw/zinc/81/63/58/428816358.db2.gz UKHZEEGTHRBDEO-GRDNDAEWSA-N 2 0 313.449 2.674 20 0 DFADRP CC(C)[NH+]1CCC(NC(=O)C[NH2+][C@@H]2CCCCC2(C)C)CC1 ZINC000411557640 428816395 /nfs/dbraw/zinc/81/63/95/428816395.db2.gz ZXIBBBFWQYTQSW-MRXNPFEDSA-N 2 0 309.498 2.534 20 0 DFADRP O[C@@H]1CCC[C@@H]1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000345259365 428818315 /nfs/dbraw/zinc/81/83/15/428818315.db2.gz SXMZPGOSPFRUNI-DZJYIKFMSA-N 2 0 314.473 2.933 20 0 DFADRP O[C@H]1C[N@H+](Cc2ccc(C[NH+]3CCCCC3)cc2)CC12CC2 ZINC000411573622 428819200 /nfs/dbraw/zinc/81/92/00/428819200.db2.gz SLDQIXUQCYFYQW-SFHVURJKSA-N 2 0 300.446 2.629 20 0 DFADRP CC[C@@H]1CCCC[C@H]1[N@H+](C)CC(=O)NC1CC[NH+](C(C)C)CC1 ZINC000411599730 428822382 /nfs/dbraw/zinc/82/23/82/428822382.db2.gz COJQVPOITCRGDG-SJLPKXTDSA-N 2 0 323.525 2.876 20 0 DFADRP C[C@@H]1C[N@H+](Cc2cccc(C[NH+]3CCCCC3)c2)C[C@H]1CO ZINC000411618271 428824376 /nfs/dbraw/zinc/82/43/76/428824376.db2.gz IITXHFYPLYFGHV-APWZRJJASA-N 2 0 302.462 2.733 20 0 DFADRP CC[N@@H+]1CC[C@H](CN[C@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC000359117266 428825268 /nfs/dbraw/zinc/82/52/68/428825268.db2.gz SFRMQAJNIVDHAN-SXLOBPIMSA-N 2 0 315.505 2.971 20 0 DFADRP CC(=O)N1CCC([NH2+]C2CC[NH+]([C@H]3CCCC[C@@H]3C)CC2)CC1 ZINC000359116732 428825641 /nfs/dbraw/zinc/82/56/41/428825641.db2.gz QRWDKFSYUNGOOF-KXBFYZLASA-N 2 0 321.509 2.630 20 0 DFADRP CC[NH+](CC)CCOC1CC[NH+](Cc2ccc(C)cn2)CC1 ZINC000354033754 428833918 /nfs/dbraw/zinc/83/39/18/428833918.db2.gz NHBDZCQZCKKOFU-UHFFFAOYSA-N 2 0 305.466 2.713 20 0 DFADRP C[C@@H]1[C@H](CO)CC[N@@H+]1Cc1cccc(C[NH+]2CCCCC2)c1 ZINC000411655144 428834843 /nfs/dbraw/zinc/83/48/43/428834843.db2.gz IRJNUZVFKSSLAE-APWZRJJASA-N 2 0 302.462 2.875 20 0 DFADRP Cc1ccc(C[NH+]2CCN(C3CC[NH+](C(C)C)CC3)CC2)cc1 ZINC000354043862 428835969 /nfs/dbraw/zinc/83/59/69/428835969.db2.gz CSAXRFSDPOVGTR-UHFFFAOYSA-N 2 0 315.505 2.985 20 0 DFADRP CCO[C@@H](CC[NH+](C)C)C[NH2+][C@H](c1ccc(F)cn1)C(C)C ZINC000354085615 428854894 /nfs/dbraw/zinc/85/48/94/428854894.db2.gz JTJXCXXPOWXDES-RDJZCZTQSA-N 2 0 311.445 2.864 20 0 DFADRP C[C@H](CC[NH+](C)[C@@H](C)C(C)(C)O)CC[N@H+](C)[C@H](C)C(C)(C)O ZINC000411799915 428861665 /nfs/dbraw/zinc/86/16/65/428861665.db2.gz VQMLEKHMFLOXFY-MUJYYYPQSA-N 2 0 316.530 2.585 20 0 DFADRP CCC[C@@H]([NH2+]CC(=O)NC1CC[NH+](C(C)C)CC1)C(C)(C)C ZINC000411795144 428861929 /nfs/dbraw/zinc/86/19/29/428861929.db2.gz JSKNBQAWJZOTCL-MRXNPFEDSA-N 2 0 311.514 2.780 20 0 DFADRP CC[NH+](CC)CCO[C@@H]1CC[N@H+](Cc2ccc(OC)cc2)C1 ZINC000354105437 428865903 /nfs/dbraw/zinc/86/59/03/428865903.db2.gz AXACNAHBFQLUQG-GOSISDBHSA-N 2 0 306.450 2.628 20 0 DFADRP O=C(Nc1ccccc1)[C@H]1CCC[N@H+](CCC2CC[NH2+]CC2)C1 ZINC000359213799 428866749 /nfs/dbraw/zinc/86/67/49/428866749.db2.gz GOAMZRTYXVIZQN-KRWDZBQOSA-N 2 0 315.461 2.727 20 0 DFADRP CCn1ccnc1CN1CC[N@H+](Cc2ccccc2)CC[C@H]1C ZINC000363134669 428867076 /nfs/dbraw/zinc/86/70/76/428867076.db2.gz KAIDXCUILODUQE-QGZVFWFLSA-N 2 0 312.461 2.999 20 0 DFADRP OCCC[N@H+](CCC1CC[NH2+]CC1)[C@@H]1CCc2ccccc21 ZINC000359219950 428872500 /nfs/dbraw/zinc/87/25/00/428872500.db2.gz NBNGXRSABOBIMN-LJQANCHMSA-N 2 0 302.462 2.748 20 0 DFADRP C[C@@H]1C[C@H](O)C[N@H+](Cc2cccc(C[NH+]3CCCCC3)c2)C1 ZINC000411877063 428876358 /nfs/dbraw/zinc/87/63/58/428876358.db2.gz QFSAQXXRKDBYHR-APWZRJJASA-N 2 0 302.462 2.875 20 0 DFADRP C[NH+](C)CCCN(CCC[NH+](C)C)Cc1cc(F)ccc1F ZINC000348923129 428878195 /nfs/dbraw/zinc/87/81/95/428878195.db2.gz SNVGWBBMOPXZCH-UHFFFAOYSA-N 2 0 313.436 2.670 20 0 DFADRP CCC[C@@H](C[N@@H+]1CC[C@H](N2CC[NH2+]CC2)C1)c1ccccc1 ZINC000348973666 428890760 /nfs/dbraw/zinc/89/07/60/428890760.db2.gz IJHYRTRJGSWERY-OALUTQOASA-N 2 0 301.478 2.550 20 0 DFADRP CC(C)c1cc(N2CCC[N@@H+]([C@H](C)CO)CC2)nc(C(C)C)n1 ZINC000375512536 428902729 /nfs/dbraw/zinc/90/27/29/428902729.db2.gz SAVYGHNBLWUQEW-OAHLLOKOSA-N 2 0 320.481 2.616 20 0 DFADRP Cc1ncc(CN2CC[C@H]([NH2+]CCOC(C)C)[C@H](C)C2)s1 ZINC000375512790 428903702 /nfs/dbraw/zinc/90/37/02/428903702.db2.gz SPULIGFAAJURKO-CJNGLKHVSA-N 2 0 311.495 2.677 20 0 DFADRP CCC[N@@H+]1CCCN(C(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)CC1 ZINC000363315396 428903966 /nfs/dbraw/zinc/90/39/66/428903966.db2.gz UYRPOQAQQYIXGS-QGZVFWFLSA-N 2 0 321.509 2.585 20 0 DFADRP CC(C)OC[C@@H](C)[NH2+]C[C@H]1CCCN(Cc2cccnc2)C1 ZINC000375590874 428918060 /nfs/dbraw/zinc/91/80/60/428918060.db2.gz JXCJGGWHYSKNNH-SJLPKXTDSA-N 2 0 305.466 2.697 20 0 DFADRP CC(C)CCOCC[N@H+](C)C1CC[NH+](C2CCOCC2)CC1 ZINC000363453159 428920378 /nfs/dbraw/zinc/92/03/78/428920378.db2.gz RWLSJNLBCUKGTK-UHFFFAOYSA-N 2 0 312.498 2.624 20 0 DFADRP Cc1nc2ccccn2c1C[N@H+]1CC[C@@H](C2CC[NH+](C)CC2)C1 ZINC000349125672 428923569 /nfs/dbraw/zinc/92/35/69/428923569.db2.gz FNPLWFKJHGJIQH-QGZVFWFLSA-N 2 0 312.461 2.806 20 0 DFADRP CC[N@@H+]1CC[C@H]([NH+](C)CCC(=O)Nc2ccc(F)cc2)C[C@@H]1C ZINC000354222010 428924238 /nfs/dbraw/zinc/92/42/38/428924238.db2.gz IGHKKKFCAOQOOX-YOEHRIQHSA-N 2 0 321.440 2.959 20 0 DFADRP C[C@@H](C[NH+]1CCCCCC1)NC(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC000359332255 428925601 /nfs/dbraw/zinc/92/56/01/428925601.db2.gz REDHRYVQIQTCDT-FUHWJXTLSA-N 2 0 321.509 2.774 20 0 DFADRP CC[N@@H+]1CC[C@H]([NH+](C)CCOc2ccc(OC)cc2)C[C@H]1C ZINC000354226511 428926542 /nfs/dbraw/zinc/92/65/42/428926542.db2.gz WMRKMAUXOMWADO-CVEARBPZSA-N 2 0 306.450 2.879 20 0 DFADRP CCC[C@H]([NH2+]C(C)C)C(=O)N[C@H]1CC[N@H+](CC2CCCC2)C1 ZINC000354251049 428938552 /nfs/dbraw/zinc/93/85/52/428938552.db2.gz BTYHMKOHNSWNEA-IRXDYDNUSA-N 2 0 309.498 2.534 20 0 DFADRP C[C@@H](C[NH2+][C@@H]1CCN(C2CC[NH+](C)CC2)C1)c1ccccc1 ZINC000375717144 428950203 /nfs/dbraw/zinc/95/02/03/428950203.db2.gz FLCYQZXWTZMUFL-FUHWJXTLSA-N 2 0 301.478 2.548 20 0 DFADRP CCOC1CC(C[N@H+](C)C2CCN(c3ccccn3)CC2)C1 ZINC000375718132 428951743 /nfs/dbraw/zinc/95/17/43/428951743.db2.gz RHVRBPVPCKNVLT-UHFFFAOYSA-N 2 0 303.450 2.797 20 0 DFADRP COc1ccc([C@H](C)[C@@H](C)[NH2+][C@H]2CCCC[NH2+]C2)cc1OC ZINC000423566243 428972129 /nfs/dbraw/zinc/97/21/29/428972129.db2.gz TWNWEPYKKBWQBY-FMKPAKJESA-N 2 0 306.450 2.928 20 0 DFADRP [NH3+]CC[C@@H]1CCC[N@H+](Cc2csc(Nc3ccccc3)n2)C1 ZINC000420316548 428957087 /nfs/dbraw/zinc/95/70/87/428957087.db2.gz SYCISZUXXMQRMP-AWEZNQCLSA-N 2 0 316.474 3.448 20 0 DFADRP CCc1cccc(Cl)c1C[N@H+](C)CCCN1CC[NH+](C)CC1 ZINC000349303069 428959481 /nfs/dbraw/zinc/95/94/81/428959481.db2.gz YUGFFAQDJSBNAV-UHFFFAOYSA-N 2 0 323.912 2.972 20 0 DFADRP CCN(CCCNC(=O)[C@@H]1CCCC[N@@H+]1CC)c1ccccc1 ZINC000354312891 428963363 /nfs/dbraw/zinc/96/33/63/428963363.db2.gz VFHDXQBHMJOIDB-SFHVURJKSA-N 2 0 317.477 2.894 20 0 DFADRP C[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]CC[C@H](O)C(F)(F)F)CC1 ZINC000349336713 428963640 /nfs/dbraw/zinc/96/36/40/428963640.db2.gz XOMJDDRYWZDJAD-SNPRPXQTSA-N 2 0 322.415 2.932 20 0 DFADRP C[C@@H](CCN1CC[NH+](C)CC1)[NH2+][C@@H]1CCCc2ccc(F)cc21 ZINC000349339449 428964756 /nfs/dbraw/zinc/96/47/56/428964756.db2.gz CVFGWXXBEZMLMY-HNAYVOBHSA-N 2 0 319.468 2.819 20 0 DFADRP CCC[C@H]([NH2+]C(C)C)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C(C)C ZINC000354333342 428972358 /nfs/dbraw/zinc/97/23/58/428972358.db2.gz UETRBJZXVZQTNJ-IKGGRYGDSA-N 2 0 309.498 2.627 20 0 DFADRP C[N@@H+]1CCC[C@@H]1CCN1CCCC[C@H]1COC(=O)N1CCCC1 ZINC000375767884 428965914 /nfs/dbraw/zinc/96/59/14/428965914.db2.gz KGFDCCRHBYXEJK-SJORKVTESA-N 2 0 323.481 2.558 20 0 DFADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)Cc1sccc1C ZINC000349060932 428912004 /nfs/dbraw/zinc/91/20/04/428912004.db2.gz HQNHTBOXQKTNMH-INIZCTEOSA-N 2 0 309.523 2.904 20 0 DFADRP CCCC[N@H+](C)C[C@H](C)NC(=O)[C@@H](C)[C@@H]([NH3+])c1ccccc1 ZINC000423768691 429015300 /nfs/dbraw/zinc/01/53/00/429015300.db2.gz FOSQBEBWUQWCDM-YQQAZPJKSA-N 2 0 305.466 2.559 20 0 DFADRP CCC[C@@H]([NH2+]C(C)C)C(=O)NC[C@@H]1CCCC[N@@H+]1CC(C)C ZINC000355113225 429030714 /nfs/dbraw/zinc/03/07/14/429030714.db2.gz FISVDOLCEUGDEL-DLBZAZTESA-N 2 0 311.514 2.780 20 0 DFADRP C[NH+]1CCC(N2CC[C@@H]([NH2+]Cc3ccc4occc4c3)C2)CC1 ZINC000375789823 428975359 /nfs/dbraw/zinc/97/53/59/428975359.db2.gz VAFNZYBBVGUKDO-QGZVFWFLSA-N 2 0 313.445 2.691 20 0 DFADRP CC[N@@H+]1CC[C@H]([NH2+]CC2(CO)CC(c3ccccc3)C2)[C@H](C)C1 ZINC000433079738 428989791 /nfs/dbraw/zinc/98/97/91/428989791.db2.gz YGJSJGODVKTGAY-OTBHMBEGSA-N 2 0 316.489 2.863 20 0 DFADRP CC[N@@H+]1CC[C@@H]([NH2+]CC2(CO)CC(c3ccccc3)C2)[C@H](C)C1 ZINC000433079737 428990020 /nfs/dbraw/zinc/99/00/20/428990020.db2.gz YGJSJGODVKTGAY-IHJVYAAUSA-N 2 0 316.489 2.863 20 0 DFADRP COC(=O)c1csc([C@H](C)[NH2+]C[C@H]2CCCn3ccnc32)c1 ZINC000375841368 428993930 /nfs/dbraw/zinc/99/39/30/428993930.db2.gz RQNOOCJTELOXSY-NWDGAFQWSA-N 2 0 319.430 2.959 20 0 DFADRP CC[C@@H](C)CCC(=O)NCC1([NH+]2CCCCC2)CCN(C)CC1 ZINC000375838677 428993996 /nfs/dbraw/zinc/99/39/96/428993996.db2.gz JUHPYHZKRHNNSF-QGZVFWFLSA-N 2 0 323.525 2.879 20 0 DFADRP C[C@H]([NH2+][C@@H]1CCN(C2CC[NH+](C)CC2)C1)c1ccc(F)cc1F ZINC000363788559 428994610 /nfs/dbraw/zinc/99/46/10/428994610.db2.gz XUSBCNVZQDQRJZ-DZGCQCFKSA-N 2 0 323.431 2.784 20 0 DFADRP CC[C@H](C(=O)N[C@H](C)CCCC[NH3+])[N@H+](C)Cc1ccccc1 ZINC000423695028 428997882 /nfs/dbraw/zinc/99/78/82/428997882.db2.gz LBTSAWLCWOMHGN-NVXWUHKLSA-N 2 0 305.466 2.531 20 0 DFADRP CCC[C@H]1CCC[C@@H]1[NH2+]Cc1cccnc1N1CC[NH+](C)CC1 ZINC000433147672 429000752 /nfs/dbraw/zinc/00/07/52/429000752.db2.gz ZJYGNWSACWXXKQ-WMZOPIPTSA-N 2 0 316.493 2.892 20 0 DFADRP COCC[N@H+](C)CCCN[C@@H](c1ncc[nH]1)C1CCCCC1 ZINC000375863054 429000864 /nfs/dbraw/zinc/00/08/64/429000864.db2.gz VHZYWTJPFIUZJS-MRXNPFEDSA-N 2 0 308.470 2.589 20 0 DFADRP CC(C)[C@H](C(=O)NC[C@@H](C)[N@@H+]1CCC[C@@H](C)C1)[NH+]1CCCCC1 ZINC000354632309 429001977 /nfs/dbraw/zinc/00/19/77/429001977.db2.gz LYTHRPVNRUVCSL-KZNAEPCWSA-N 2 0 323.525 2.734 20 0 DFADRP C[C@@H]1CC[C@@H](C)[NH+]1[C@H]1CCCN(C(=O)C2([NH3+])CCCCC2)C1 ZINC000423726739 429004840 /nfs/dbraw/zinc/00/48/40/429004840.db2.gz KGGFXYQYEVIRMW-OAGGEKHMSA-N 2 0 307.482 2.512 20 0 DFADRP CC(C)C[NH+]1CCN(C(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)CC1 ZINC000433182904 429007768 /nfs/dbraw/zinc/00/77/68/429007768.db2.gz PLYCQDJGAKAWTM-GOSISDBHSA-N 2 0 321.509 2.584 20 0 DFADRP C[C@@H]1CCN(C(=O)CC[C@@H]2CCCC[N@@H+]2C)C[C@@H]1n1ccnc1 ZINC000354791677 429009767 /nfs/dbraw/zinc/00/97/67/429009767.db2.gz IBJRBYORXGUOCO-IKGGRYGDSA-N 2 0 318.465 2.557 20 0 DFADRP CC(C)[NH+]1CCN([C@@H]2CC[N@@H+]([C@H](C)c3ccc(F)cc3)C2)CC1 ZINC000375903961 429012741 /nfs/dbraw/zinc/01/27/41/429012741.db2.gz IVUAGVPDSFWFIT-VQIMIIECSA-N 2 0 319.468 2.987 20 0 DFADRP CCc1ccc(C[N@@H+]2CC[C@@H](N3CC[NH+](C(C)C)CC3)C2)cc1 ZINC000375908318 429014069 /nfs/dbraw/zinc/01/40/69/429014069.db2.gz VZZGGQRKKUWITC-HXUWFJFHSA-N 2 0 315.505 2.849 20 0 DFADRP CCCC[N@H+](C)C[C@H](C)NC(=O)[C@@H](C)[C@H]([NH3+])c1ccccc1 ZINC000423768695 429014142 /nfs/dbraw/zinc/01/41/42/429014142.db2.gz FOSQBEBWUQWCDM-ZOBUZTSGSA-N 2 0 305.466 2.559 20 0 DFADRP CC(C)[NH+]1CCN([C@@H]2CC[N@@H+]([C@@H](C)c3ccc(F)cc3)C2)CC1 ZINC000375903960 429014716 /nfs/dbraw/zinc/01/47/16/429014716.db2.gz IVUAGVPDSFWFIT-QFBILLFUSA-N 2 0 319.468 2.987 20 0 DFADRP COc1ccc2c(c1F)CC[C@H]2[NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000423448710 429089323 /nfs/dbraw/zinc/08/93/23/429089323.db2.gz VKPDHECWOMRITI-ARFHVFGLSA-N 2 0 304.409 2.799 20 0 DFADRP C[C@H]([NH2+]C[C@@H]1CCC[C@@H]([NH3+])C1)c1cccc(OCC[NH+](C)C)c1 ZINC000423455600 429091012 /nfs/dbraw/zinc/09/10/12/429091012.db2.gz FPAKDPLPGZMNNK-LZLYRXPVSA-N 3 0 319.493 2.795 20 0 DFADRP C[C@@H]1C[C@@H]([NH2+]CCC[C@H]2CCC[NH2+]2)CN1Cc1ccccc1 ZINC000423469676 429092284 /nfs/dbraw/zinc/09/22/84/429092284.db2.gz CZMUWXZJLFENPA-BHIYHBOVSA-N 2 0 301.478 2.771 20 0 DFADRP C[C@@H]1C[C@H]([NH2+]CCC[C@@H]2CCC[NH2+]2)CN1Cc1ccccc1 ZINC000423469678 429092882 /nfs/dbraw/zinc/09/28/82/429092882.db2.gz CZMUWXZJLFENPA-NEWSRXKRSA-N 2 0 301.478 2.771 20 0 DFADRP COC1([C@H](C)[NH2+]CCCC[N@@H+]2CCC[C@H]2CO)CCCCC1 ZINC000421835326 429039322 /nfs/dbraw/zinc/03/93/22/429039322.db2.gz PSYCXGIQDNEGKC-IRXDYDNUSA-N 2 0 312.498 2.551 20 0 DFADRP COC(=O)C[C@@H]1CC[C@H]([NH2+]C2CC([NH+]3CCCCC3)C2)[C@@H]1C ZINC000376023101 429042302 /nfs/dbraw/zinc/04/23/02/429042302.db2.gz WNUNIHOLWDWFHV-CWHQUEMWSA-N 2 0 308.466 2.571 20 0 DFADRP COC(=O)C[C@@H]1CC[C@H]([NH2+]C2CC([NH+]3CCCCC3)C2)[C@H]1C ZINC000376023103 429043474 /nfs/dbraw/zinc/04/34/74/429043474.db2.gz WNUNIHOLWDWFHV-UCMFOZJVSA-N 2 0 308.466 2.571 20 0 DFADRP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)N(C)CC[NH+](C)C1CCCCC1 ZINC000355407921 429044394 /nfs/dbraw/zinc/04/43/94/429044394.db2.gz DCLWNHYKLSYKOK-IYBDPMFKSA-N 2 0 309.498 2.582 20 0 DFADRP C[C@H]([NH3+])CCC(=O)NCC[C@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000423904476 429053138 /nfs/dbraw/zinc/05/31/38/429053138.db2.gz OHWCMTDKADHFAN-BQFCYCMXSA-N 2 0 317.477 2.531 20 0 DFADRP CC(C)[C@H]([NH3+])CN[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000423279489 429055737 /nfs/dbraw/zinc/05/57/37/429055737.db2.gz SBDDLSZTWMPSIV-AKHDSKFASA-N 2 0 301.478 2.755 20 0 DFADRP COC(=O)C[C@@H]1CC[C@H]([NH2+]Cc2ccc([C@H](C)[NH3+])cc2)[C@H]1C ZINC000423292691 429057214 /nfs/dbraw/zinc/05/72/14/429057214.db2.gz NYZVPUCGCVHULS-PYTWLRIVSA-N 2 0 304.434 2.774 20 0 DFADRP COc1cc([C@H](C)[NH2+]CCC[C@H]2CCC[NH2+]2)cc(OC)c1OC ZINC000423486416 429097006 /nfs/dbraw/zinc/09/70/06/429097006.db2.gz SQVJPGNJUJJZOR-ZFWWWQNUSA-N 2 0 322.449 2.895 20 0 DFADRP [NH3+][C@H](CN[C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21)C1CC1 ZINC000423322141 429063240 /nfs/dbraw/zinc/06/32/40/429063240.db2.gz NQPHQMURZRHOHP-IYWMVGAKSA-N 2 0 313.489 2.614 20 0 DFADRP CC[NH+](CC)Cc1cccc(CNC(=O)[C@H]2C[C@H](C)CC[NH2+]2)c1 ZINC000423327928 429065174 /nfs/dbraw/zinc/06/51/74/429065174.db2.gz NJAWNRKCFMBGDB-CRAIPNDOSA-N 2 0 317.477 2.533 20 0 DFADRP C[C@H]([NH3+])c1ccc(C(=O)NCCC[N@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000423326894 429065921 /nfs/dbraw/zinc/06/59/21/429065921.db2.gz KSZLEFUOVVPPGB-XHSDSOJGSA-N 2 0 317.477 2.804 20 0 DFADRP [NH3+]C1(C[NH2+][C@H](Cc2ccccc2Cl)[C@@H]2CCCO2)CCC1 ZINC000423326951 429066017 /nfs/dbraw/zinc/06/60/17/429066017.db2.gz KVKKAGJKEDYBOW-CVEARBPZSA-N 2 0 308.853 2.901 20 0 DFADRP C[C@@H]1C[C@H]([NH2+]CC2(C)CC[NH2+]CC2)CN1Cc1ccccc1 ZINC000423326414 429066030 /nfs/dbraw/zinc/06/60/30/429066030.db2.gz KMPSDOQQTYPIOC-AEFFLSMTSA-N 2 0 301.478 2.629 20 0 DFADRP C[C@@H]([NH3+])c1ccc(C(=O)NCCC[NH+]2C[C@H](C)C[C@@H](C)C2)cc1 ZINC000423326889 429066087 /nfs/dbraw/zinc/06/60/87/429066087.db2.gz KSZLEFUOVVPPGB-BZUAXINKSA-N 2 0 317.477 2.804 20 0 DFADRP C[C@@H]1CCC[N@H+](Cc2ccc(NC(=O)CC3(C[NH3+])CC3)cc2)C1 ZINC000423322793 429066274 /nfs/dbraw/zinc/06/62/74/429066274.db2.gz HADXDHCBYYFMLS-OAHLLOKOSA-N 2 0 315.461 2.986 20 0 DFADRP C[C@H]([NH3+])c1ccc(C(=O)NCCC[NH+]2C[C@H](C)C[C@@H](C)C2)cc1 ZINC000423326892 429066285 /nfs/dbraw/zinc/06/62/85/429066285.db2.gz KSZLEFUOVVPPGB-OAGGEKHMSA-N 2 0 317.477 2.804 20 0 DFADRP CCO[C@@H]1C[C@H]([NH2+]CC2(C)CC[NH2+]CC2)[C@H]1Oc1ccccc1 ZINC000423335257 429066833 /nfs/dbraw/zinc/06/68/33/429066833.db2.gz RJIPQLNFCSSYDG-RCCFBDPRSA-N 2 0 318.461 2.591 20 0 DFADRP Brc1cc2c(s1)CC[C@H]2[NH2+]C[C@H]1CC[NH2+]C1 ZINC000423335466 429067298 /nfs/dbraw/zinc/06/72/98/429067298.db2.gz IWRCIWHRCWNROA-WCBMZHEXSA-N 2 0 301.253 2.697 20 0 DFADRP Cn1ccnc1[C@H]([NH2+]CC1(C)CC[NH2+]CC1)c1cccc(F)c1 ZINC000423334039 429067331 /nfs/dbraw/zinc/06/73/31/429067331.db2.gz QHVMSRMNRQULLZ-MRXNPFEDSA-N 2 0 316.424 2.628 20 0 DFADRP CCN(CC)C(=O)Nc1ccc([C@H](C)[NH2+]C[C@@H]2CC[NH2+]C2)cc1 ZINC000423341059 429067452 /nfs/dbraw/zinc/06/74/52/429067452.db2.gz MHWONBSFUZNBLS-LSDHHAIUSA-N 2 0 318.465 2.820 20 0 DFADRP C[C@H]([NH3+])c1ccc(C(=O)NCCCC[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000423334632 429067576 /nfs/dbraw/zinc/06/75/76/429067576.db2.gz QXCHMVMEQSQHMD-CVEARBPZSA-N 2 0 317.477 2.948 20 0 DFADRP C[C@H]([NH3+])c1ccc(C(=O)NC[C@H](C2CCCCC2)[NH+](C)C)cc1 ZINC000423339812 429067852 /nfs/dbraw/zinc/06/78/52/429067852.db2.gz WYWMHAVNBORXCN-KBXCAEBGSA-N 2 0 317.477 2.947 20 0 DFADRP C[C@@H](Cc1ccccc1)[NH+]1CCC(N[C@H]2CC[NH2+]C[C@H]2C)CC1 ZINC000423363125 429071919 /nfs/dbraw/zinc/07/19/19/429071919.db2.gz BMLLCJYAZFISQJ-UWVAXJGDSA-N 2 0 315.505 2.670 20 0 DFADRP C[C@H]1[C@@H](NCC[C@H]2CCC[NH2+]2)CCC[N@@H+]1Cc1ccccc1 ZINC000423355332 429072828 /nfs/dbraw/zinc/07/28/28/429072828.db2.gz IAZLEAXBXYLEQV-UHOSZYNNSA-N 2 0 301.478 2.771 20 0 DFADRP CC(C)[C@H](C(=O)N1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1)[C@@H](C)[NH3+] ZINC000423359880 429072891 /nfs/dbraw/zinc/07/28/91/429072891.db2.gz PUHYRJOPVYTESO-TVFCKZIOSA-N 2 0 323.525 2.719 20 0 DFADRP C[C@@H](NCC[C@H]1CCC[NH2+]1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000423363852 429073030 /nfs/dbraw/zinc/07/30/30/429073030.db2.gz OCQMDXATZKWBIH-NZSAHSFTSA-N 2 0 301.478 2.629 20 0 DFADRP CCCC[N@H+](C)CCNC(=O)C(C)(C)[C@@H]([NH3+])c1ccccc1 ZINC000423372169 429073335 /nfs/dbraw/zinc/07/33/35/429073335.db2.gz GVVUETDYWNLLNQ-INIZCTEOSA-N 2 0 305.466 2.561 20 0 DFADRP CC(C)[N@H+](C)Cc1cccc(CNC(=O)[C@@H]2C[C@@H](C)CC[NH2+]2)c1 ZINC000423370829 429074166 /nfs/dbraw/zinc/07/41/66/429074166.db2.gz UQIATCZPQCPPMU-YJBOKZPZSA-N 2 0 317.477 2.531 20 0 DFADRP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NCC[C@H]1CCC[NH2+]1 ZINC000423366788 429074299 /nfs/dbraw/zinc/07/42/99/429074299.db2.gz QJOUDSOKEZIOKR-UHOSZYNNSA-N 2 0 301.478 2.629 20 0 DFADRP c1ccc([C@@H]2C[C@H]([NH2+]Cc3ccc4c(c3)C[NH2+]C4)CCN2)cc1 ZINC000423372914 429074363 /nfs/dbraw/zinc/07/43/63/429074363.db2.gz HKGRECBOAMUTBV-UXHICEINSA-N 2 0 307.441 2.873 20 0 DFADRP COc1ccc(C[C@H](C)[NH2+][C@H]2CC[NH2+][C@H](C)C2)c(C)c1OC ZINC000423374123 429076579 /nfs/dbraw/zinc/07/65/79/429076579.db2.gz HUHFQYBSPQATMD-WWGRRREGSA-N 2 0 306.450 2.673 20 0 DFADRP CC[N@@H+]1CCC[C@H]1CN(C)C(=O)C(C)(C)[C@@H]([NH3+])c1ccccc1 ZINC000423383174 429076922 /nfs/dbraw/zinc/07/69/22/429076922.db2.gz GXPXLNBIJXPRQF-IRXDYDNUSA-N 2 0 317.477 2.655 20 0 DFADRP CC[C@H](C)CC(=O)NCC1([NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000424022774 429078117 /nfs/dbraw/zinc/07/81/17/429078117.db2.gz USGSPYGDOCTVBL-INIZCTEOSA-N 2 0 317.477 2.532 20 0 DFADRP COc1ccc([C@H](C)[C@H](C)[NH2+][C@H]2CC[NH2+][C@H](C)C2)cc1OC ZINC000423389982 429078305 /nfs/dbraw/zinc/07/83/05/429078305.db2.gz VLVPFXBSBDRZNA-NYTXWWLZSA-N 2 0 306.450 2.926 20 0 DFADRP CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@H]2CC[NH2+][C@H](C)C2)c2ccccc21 ZINC000423391989 429079656 /nfs/dbraw/zinc/07/96/56/429079656.db2.gz XGBNAOGMIXEFOT-NONVJHHQSA-N 2 0 316.445 2.898 20 0 DFADRP C[C@H]([NH2+][C@@H]1CCC[C@@H]([NH3+])C1)c1cccc(N2CCCC2=O)c1 ZINC000423397466 429079670 /nfs/dbraw/zinc/07/96/70/429079670.db2.gz SXHXEBNFHGSGPO-NUEKZKHPSA-N 2 0 301.434 2.734 20 0 DFADRP COCC1(C[NH2+][C@H](C)[C@H](C)c2ccc(OC)cc2)CC[NH2+]CC1 ZINC000423397323 429079769 /nfs/dbraw/zinc/07/97/69/429079769.db2.gz BVABUPSIDQBGFU-JKSUJKDBSA-N 2 0 320.477 2.793 20 0 DFADRP CC(C)[C@H](N[C@H]1CCC[NH2+][C@H]1C)c1ccc2[nH]c(=O)oc2c1 ZINC000423402967 429080679 /nfs/dbraw/zinc/08/06/79/429080679.db2.gz XWVFSDFXQUDNHW-RBOXIYTFSA-N 2 0 303.406 2.961 20 0 DFADRP COCC1(C[NH2+][C@@H]2CCC[C@H](c3cccnc3)C2)CC[NH2+]CC1 ZINC000423403495 429080701 /nfs/dbraw/zinc/08/07/01/429080701.db2.gz HXACFRBNFVAGDV-FUHWJXTLSA-N 2 0 317.477 2.714 20 0 DFADRP COCC1(C[NH2+][C@H]2CCCOc3ccc(C)cc32)CC[NH2+]CC1 ZINC000423402283 429081174 /nfs/dbraw/zinc/08/11/74/429081174.db2.gz GYHKEMSLCGMAMB-KRWDZBQOSA-N 2 0 318.461 2.815 20 0 DFADRP COc1ccc([C@H](C)[NH2+][C@H]2CCC[C@@H]([NH3+])C2)cc1NC(C)=O ZINC000423406901 429081216 /nfs/dbraw/zinc/08/12/16/429081216.db2.gz ZIORHZHOZNGJRW-GLQYFDAESA-N 2 0 305.422 2.574 20 0 DFADRP CC1(C)C[NH2+][C@@H]1C1CCN(C(=O)[C@@H]([NH3+])CC2CCCCC2)CC1 ZINC000424038116 429081183 /nfs/dbraw/zinc/08/11/83/429081183.db2.gz HXCANGASPZXSAC-DLBZAZTESA-N 2 0 321.509 2.521 20 0 DFADRP C[C@H]([NH2+][C@@H]1CC[NH2+]C[C@H]1C)c1ccc(NC(=O)NC2CC2)cc1 ZINC000423408085 429081425 /nfs/dbraw/zinc/08/14/25/429081425.db2.gz WVJIKNMSKRKSMY-IIYDPXPESA-N 2 0 316.449 2.619 20 0 DFADRP COC[C@]1(C[NH2+][C@H](Cc2ccc(F)cc2)C(C)C)CCC[NH2+]1 ZINC000423411385 429082852 /nfs/dbraw/zinc/08/28/52/429082852.db2.gz FRHQCNNGYFCNLP-QZTJIDSGSA-N 2 0 308.441 2.751 20 0 DFADRP COCC1(C[NH2+]C2CCC(CSC)CC2)CC[NH2+]CC1 ZINC000423413140 429082909 /nfs/dbraw/zinc/08/29/09/429082909.db2.gz YHWMLFWNEJAECC-UHFFFAOYSA-N 2 0 300.512 2.514 20 0 DFADRP O[C@@H]1C[NH2+]C[C@@H]1C[NH2+][C@@H](c1ccc(Cl)c(Cl)c1)C1CC1 ZINC000423411700 429083370 /nfs/dbraw/zinc/08/33/70/429083370.db2.gz VCQPMGLEKFCKTN-KCPJHIHWSA-N 2 0 315.244 2.614 20 0 DFADRP CC[NH+]1CCC(CCNC(=O)c2ccc([C@H](C)[NH3+])cc2)CC1 ZINC000423408565 429083553 /nfs/dbraw/zinc/08/35/53/429083553.db2.gz OWZGGQAVQDGUOL-AWEZNQCLSA-N 2 0 303.450 2.558 20 0 DFADRP COCC1(C[NH2+][C@@H](C)c2nc3c(s2)CCCC3)CC[NH2+]CC1 ZINC000423413731 429083667 /nfs/dbraw/zinc/08/36/67/429083667.db2.gz ZWRHXOJCAJGVFX-ZDUSSCGKSA-N 2 0 323.506 2.689 20 0 DFADRP COCC1(C[NH2+][C@@H](C)c2cc3c(s2)CCC3)CC[NH2+]CC1 ZINC000423411443 429083674 /nfs/dbraw/zinc/08/36/74/429083674.db2.gz UPDKIKNFQZCUGR-ZDUSSCGKSA-N 2 0 308.491 2.904 20 0 DFADRP COC[C@]1(C[NH2+][C@H](Cc2ccccc2OC)C(C)C)CCC[NH2+]1 ZINC000423409007 429083791 /nfs/dbraw/zinc/08/37/91/429083791.db2.gz BFTBTNQQUCXIEK-IEBWSBKVSA-N 2 0 320.477 2.621 20 0 DFADRP COC[C@]1(C[NH2+][C@@H](C)[C@H]2C[C@@H]2c2ccc(OC)cc2)CCC[NH2+]1 ZINC000423417544 429086206 /nfs/dbraw/zinc/08/62/06/429086206.db2.gz SPLGOFIAGLLNCI-JEDBISTDSA-N 2 0 318.461 2.545 20 0 DFADRP [NH3+]C[C@@H]1CCCC[C@H]1NC(=O)CC[C@H]([NH3+])CC1CCCCC1 ZINC000424073345 429087089 /nfs/dbraw/zinc/08/70/89/429087089.db2.gz FDQISUHWWDQSJI-YESZJQIVSA-N 2 0 309.498 2.698 20 0 DFADRP [NH3+][C@H](CCC(=O)NC[C@@H]([NH3+])c1ccccc1)CC1CCCCC1 ZINC000424073070 429087207 /nfs/dbraw/zinc/08/72/07/429087207.db2.gz DZQVMXYIPPPDPM-QZTJIDSGSA-N 2 0 317.477 2.881 20 0 DFADRP C[C@@H]([NH3+])c1ccc(C(=O)N2CC[C@@H](C[NH+]3CCCCC3)C2)cc1 ZINC000423447254 429088474 /nfs/dbraw/zinc/08/84/74/429088474.db2.gz UCNJZXRRGPMGBV-CVEARBPZSA-N 2 0 315.461 2.654 20 0 DFADRP CC[N@H+](CCC1CC[NH+](C[C@H](O)CSC)CC1)CC(C)C ZINC000494779192 429153709 /nfs/dbraw/zinc/15/37/09/429153709.db2.gz AIHCOCAWENOEFH-KRWDZBQOSA-N 2 0 316.555 2.790 20 0 DFADRP CC(C)NC(=O)Nc1ccc([C@H](C)[NH2+][C@H]2CC[C@@H](C[NH3+])C2)cc1 ZINC000423498096 429098300 /nfs/dbraw/zinc/09/83/00/429098300.db2.gz ZXTNWSDEOKDFQL-VBQJREDUSA-N 2 0 318.465 2.995 20 0 DFADRP CCc1ccccc1[C@H](N)C[NH2+][C@@H](C)c1ccc(C[NH3+])nc1C ZINC000423501717 429101128 /nfs/dbraw/zinc/10/11/28/429101128.db2.gz LMYUXNQIYHOFTK-ORAYPTAESA-N 2 0 312.461 2.762 20 0 DFADRP FCCC[C@H]1CCC[C@@H]1[NH2+]C1CCC([NH+]2CCNCC2)CC1 ZINC000423500517 429102054 /nfs/dbraw/zinc/10/20/54/429102054.db2.gz APKJWZZENOKYHK-CPFNUKBASA-N 2 0 311.489 2.711 20 0 DFADRP C[C@H]([NH2+][C@H](CN)C1CCCC1)c1ccc(OCC[NH+](C)C)cc1 ZINC000423505801 429102408 /nfs/dbraw/zinc/10/24/08/429102408.db2.gz HISVHPZQUXAOHP-HNAYVOBHSA-N 2 0 319.493 2.795 20 0 DFADRP CC1(CNC(=O)CC[C@H]([NH3+])CC2CCCCC2)CC[NH2+]CC1 ZINC000424158897 429102691 /nfs/dbraw/zinc/10/26/91/429102691.db2.gz UOABYWWOFQTDEB-INIZCTEOSA-N 2 0 309.498 2.570 20 0 DFADRP COc1ccc([C@H](C)[C@H](C)[NH2+][C@@H]2CC[C@H](C[NH3+])C2)cc1OC ZINC000423510736 429103547 /nfs/dbraw/zinc/10/35/47/429103547.db2.gz PTPYQDRCMOEQHS-ORIJERBGSA-N 2 0 306.450 2.913 20 0 DFADRP Cc1ccc([C@@H](C)[NH2+]C2CCC([NH+]3CCNCC3)CC2)cc1 ZINC000423520563 429105547 /nfs/dbraw/zinc/10/55/47/429105547.db2.gz RLGOPGKOOIBRPR-IPJUCJBFSA-N 2 0 301.478 2.862 20 0 DFADRP COCc1cc([C@H](C)[N@@H+]2C[C@@H](C)[C@](C)(C[NH3+])C2)ccc1OC ZINC000423517385 429105567 /nfs/dbraw/zinc/10/55/67/429105567.db2.gz YHBGYAJLEYGVFG-QWQRMKEZSA-N 2 0 306.450 2.819 20 0 DFADRP C[C@@H]1CC[NH2+][C@H](C)[C@@H]1NC(=O)CC[C@H]([NH3+])CC1CCCCC1 ZINC000424179701 429106386 /nfs/dbraw/zinc/10/63/86/429106386.db2.gz TYAAUTFIVAUIFF-AHEZYBDSSA-N 2 0 309.498 2.567 20 0 DFADRP Cc1cccc([C@@H](C)[NH2+]C2CCC([NH+]3CCNCC3)CC2)c1 ZINC000423519721 429107188 /nfs/dbraw/zinc/10/71/88/429107188.db2.gz QIAUCSYYBLUSPP-IPJUCJBFSA-N 2 0 301.478 2.862 20 0 DFADRP C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)CC[C@H]([NH3+])CC1CCCCC1 ZINC000424181393 429107326 /nfs/dbraw/zinc/10/73/26/429107326.db2.gz RBXUDRPQBXXANG-BPQIPLTHSA-N 2 0 323.525 2.863 20 0 DFADRP COc1ccc(C[C@H](C)[NH2+][C@@H]2CC[C@H](C[NH3+])C2)c(C)c1OC ZINC000423520888 429108795 /nfs/dbraw/zinc/10/87/95/429108795.db2.gz WQALMTFKWPPEOR-DUVNUKRYSA-N 2 0 306.450 2.660 20 0 DFADRP [NH3+][C@@H](CCC(=O)NCCC[C@H]1CCC[NH2+]1)CC1CCCCC1 ZINC000424189379 429109440 /nfs/dbraw/zinc/10/94/40/429109440.db2.gz KNHQQLWWJKQRNF-DLBZAZTESA-N 2 0 309.498 2.713 20 0 DFADRP C[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]CCC2=CC[NH2+]CC2)CC1 ZINC000423535107 429111061 /nfs/dbraw/zinc/11/10/61/429111061.db2.gz CBEYUFKVWPQLKN-APWZRJJASA-N 3 0 305.510 2.929 20 0 DFADRP Cc1cc(C[NH3+])cc(NC(=O)[C@@H](C)N2CCc3ccccc3C2)c1 ZINC000424239143 429113567 /nfs/dbraw/zinc/11/35/67/429113567.db2.gz LSHGGFCXMSHIDV-OAHLLOKOSA-N 2 0 323.440 2.839 20 0 DFADRP Cc1nc(C)c(C)c(NC2CC[NH+](Cc3cccnc3)CC2)n1 ZINC000376466917 429117041 /nfs/dbraw/zinc/11/70/41/429117041.db2.gz LHSCIJMGYZYYSR-UHFFFAOYSA-N 2 0 311.433 2.873 20 0 DFADRP c1csc(N2CCC([NH2+]C[C@@H]3CCCCN3C3CC3)CC2)n1 ZINC000376470653 429117181 /nfs/dbraw/zinc/11/71/81/429117181.db2.gz FSUZBVBTPDXACA-INIZCTEOSA-N 2 0 320.506 2.718 20 0 DFADRP COC(=O)CC1CC([NH2+]CCCC[NH+]2C[C@@H](C)C[C@H](C)C2)C1 ZINC000424273135 429117293 /nfs/dbraw/zinc/11/72/93/429117293.db2.gz VZQRXFCDZNWCLM-JUVOFCAFSA-N 2 0 310.482 2.676 20 0 DFADRP C[C@H]1CC2(C[N@@H+]1Cc1ccc(Br)cn1)CC[NH2+]CC2 ZINC000424283252 429119449 /nfs/dbraw/zinc/11/94/49/429119449.db2.gz BDOZQFWQTUWFKL-LBPRGKRZSA-N 2 0 324.266 2.808 20 0 DFADRP Clc1cccc(C[NH+]2CCC(n3ncc4c3C[NH2+]C4)CC2)c1 ZINC000424287112 429119933 /nfs/dbraw/zinc/11/99/33/429119933.db2.gz IONYGWXFACJBCK-UHFFFAOYSA-N 2 0 316.836 2.977 20 0 DFADRP [NH3+]C[C@@H](CN1CC[C@H](C[NH+]2CCCCC2)C1)c1ccc(F)cc1 ZINC000424305839 429122729 /nfs/dbraw/zinc/12/27/29/429122729.db2.gz TVPGOSUOVNNALI-AEFFLSMTSA-N 2 0 319.468 2.676 20 0 DFADRP [NH3+]C[C@H](CN1CC[C@H](C[NH+]2CCCCC2)C1)c1ccc(F)cc1 ZINC000424305841 429123322 /nfs/dbraw/zinc/12/33/22/429123322.db2.gz TVPGOSUOVNNALI-SJLPKXTDSA-N 2 0 319.468 2.676 20 0 DFADRP C[NH+](C)CCC1CC[NH+](Cc2ccc(-c3cc[nH]n3)o2)CC1 ZINC000435135458 429125655 /nfs/dbraw/zinc/12/56/55/429125655.db2.gz QAYURQNDMAWUEW-UHFFFAOYSA-N 2 0 302.422 2.833 20 0 DFADRP COC(=O)CC1CC([NH2+]C[C@@H]2CCC[N@@H+]2CC2CCCCC2)C1 ZINC000424324684 429126844 /nfs/dbraw/zinc/12/68/44/429126844.db2.gz XAGXONUAFPNTQG-ABHNRTSZSA-N 2 0 322.493 2.962 20 0 DFADRP [NH3+][C@@H]1CCCC[C@H]1[NH2+]CCOc1ccccc1C(F)(F)F ZINC000424334196 429128024 /nfs/dbraw/zinc/12/80/24/429128024.db2.gz NFNJNHQXNRVDAF-CHWSQXEVSA-N 2 0 302.340 2.944 20 0 DFADRP CCC[C@H](C)NC(=O)[C@H]1CCC[N@H+](CC[C@H]2CCCC[NH+]2C)C1 ZINC000435331566 429132051 /nfs/dbraw/zinc/13/20/51/429132051.db2.gz IBXAKPCTYVYYJK-OKZBNKHCSA-N 2 0 323.525 2.878 20 0 DFADRP C[C@H]1CC2(C[N@@H+]1Cc1cn(C)nc1C(C)(C)C)CC[NH2+]CC2 ZINC000424377038 429132465 /nfs/dbraw/zinc/13/24/65/429132465.db2.gz LPHQNHXKBSCKNS-AWEZNQCLSA-N 2 0 304.482 2.682 20 0 DFADRP C[C@H]1CC2(C[N@@H+]1Cc1nccn1-c1ccccc1)CC[NH2+]CC2 ZINC000424386967 429132746 /nfs/dbraw/zinc/13/27/46/429132746.db2.gz XVRAQLIDXISWKG-INIZCTEOSA-N 2 0 310.445 2.836 20 0 DFADRP COc1ccc(C[N@@H+]2CC3(C[C@H]2C)CC[NH2+]CC3)cc1OC ZINC000424388622 429133140 /nfs/dbraw/zinc/13/31/40/429133140.db2.gz ZKRLXXUNZCVLMO-CQSZACIVSA-N 2 0 304.434 2.668 20 0 DFADRP C[C@@H]1C[C@H](C[NH3+])C[N@@H+]1Cc1ccccc1OCc1cccnc1 ZINC000435370802 429133246 /nfs/dbraw/zinc/13/32/46/429133246.db2.gz KDHBKBBRBNGLRI-NVXWUHKLSA-N 2 0 311.429 2.830 20 0 DFADRP C[C@H]1CC2(C[N@@H+]1Cc1ccc(N3CCCC3)nc1)CC[NH2+]CC2 ZINC000424384221 429134071 /nfs/dbraw/zinc/13/40/71/429134071.db2.gz UZMLCTMPJAGTJV-INIZCTEOSA-N 2 0 314.477 2.646 20 0 DFADRP C[C@H](CC(=O)Nc1ccc(F)cc1)[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000363918573 429139483 /nfs/dbraw/zinc/13/94/83/429139483.db2.gz CZJIQDQEQHCVKD-XYPHTWIQSA-N 2 0 319.424 2.759 20 0 DFADRP Cc1cc(C[NH3+])cc(NC(=O)NC[C@H](C)[N@@H+]2CCCC[C@@H]2C)c1 ZINC000424433310 429142206 /nfs/dbraw/zinc/14/22/06/429142206.db2.gz DOIURGOXYKCPBZ-GJZGRUSLSA-N 2 0 318.465 2.838 20 0 DFADRP CC[NH+]1CCN(Cc2ccccc2C[NH2+][C@@H]2C[C@@H](C)[C@@H]2C)CC1 ZINC000494889139 429161325 /nfs/dbraw/zinc/16/13/25/429161325.db2.gz JTNYENJDFVYVIX-FUHIMQAGSA-N 2 0 315.505 2.958 20 0 DFADRP C[NH2+]CCCN1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000435873897 429168780 /nfs/dbraw/zinc/16/87/80/429168780.db2.gz GRSISPLCVYANRY-IBGZPJMESA-N 2 0 301.478 2.584 20 0 DFADRP C[NH2+]CCC[N@@H+]1CCC[C@@H](c2nc(-c3ccc(F)cc3)no2)C1 ZINC000435873440 429168953 /nfs/dbraw/zinc/16/89/53/429168953.db2.gz CTXFZOABVOTYNP-CQSZACIVSA-N 2 0 318.396 2.665 20 0 DFADRP C[NH2+]CCC[N@@H+]1CCC[C@@H](c2nc(-c3cccc(F)c3)no2)C1 ZINC000435875776 429169039 /nfs/dbraw/zinc/16/90/39/429169039.db2.gz UTYNTOVPGQTOGW-CQSZACIVSA-N 2 0 318.396 2.665 20 0 DFADRP CC(C)[NH+]1CCC(NC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC000364397013 429196382 /nfs/dbraw/zinc/19/63/82/429196382.db2.gz YWUPPMSHTJXKQG-MRXNPFEDSA-N 2 0 321.509 2.630 20 0 DFADRP C[N@H+](CCN1CCC2(CCC[NH+]2C)CC1)Cc1ccc(F)cc1 ZINC000364367648 429190985 /nfs/dbraw/zinc/19/09/85/429190985.db2.gz YFJHFWWCLZUSRI-UHFFFAOYSA-N 2 0 319.468 2.818 20 0 DFADRP CC[NH+]1CCN([C@H](C)C[NH2+][C@@H]2CC[C@@H](c3ccccc3)C2)CC1 ZINC000436287667 429193965 /nfs/dbraw/zinc/19/39/65/429193965.db2.gz JKEXUKSCNGBDNZ-MISYRCLQSA-N 2 0 315.505 2.938 20 0 DFADRP C[NH+](C)CC(C)(C)NC(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C ZINC000455840295 429216995 /nfs/dbraw/zinc/21/69/95/429216995.db2.gz DFPDWZPWWROTOF-INIZCTEOSA-N 2 0 318.465 2.697 20 0 DFADRP C[C@H]1C[C@H](CNC(=[NH2+])N(C)C2CC2)C[N@@H+]1Cc1ccccc1 ZINC000364637554 429237913 /nfs/dbraw/zinc/23/79/13/429237913.db2.gz ZBPOVZGKROYQDJ-GOEBONIOSA-N 2 0 300.450 2.516 20 0 DFADRP CC(C)(C)OC(=O)CCCC[N@@H+]1C[C@@H]2C[NH+]3CCCC[C@H]3[C@@H]2C1 ZINC000364653346 429241893 /nfs/dbraw/zinc/24/18/93/429241893.db2.gz DWQSAPNQJUUPNB-ZACQAIPSSA-N 2 0 322.493 2.915 20 0 DFADRP C[NH+]1CCC(C)(C[NH2+][C@@H]2CCC(=O)Nc3ccc(F)cc32)CC1 ZINC000364689968 429250080 /nfs/dbraw/zinc/25/00/80/429250080.db2.gz HOXFNCBKYOYMLT-OAHLLOKOSA-N 2 0 319.424 2.921 20 0 DFADRP COCC[N@H+](C)CCCNc1c(C)c(C)[nH+]c2ccccc21 ZINC000443438336 429250272 /nfs/dbraw/zinc/25/02/72/429250272.db2.gz FPTWGRNCKGIXPW-UHFFFAOYSA-N 2 0 301.434 2.654 20 0 DFADRP CCCCc1noc([C@@H](C)[N@H+](C)C[C@@H]2CCc3nccn3C2)n1 ZINC000364705446 429252659 /nfs/dbraw/zinc/25/26/59/429252659.db2.gz IAVZEPUFCVKYNO-KGLIPLIRSA-N 2 0 317.437 2.864 20 0 DFADRP OC1(c2ccccc2)CCC([NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000364725113 429258036 /nfs/dbraw/zinc/25/80/36/429258036.db2.gz SQUISRPYLTXCQD-VQSBYGRUSA-N 2 0 314.473 2.891 20 0 DFADRP Cc1ncc(CN2CC[C@H]([NH2+]C[C@H]3CCC=CO3)[C@@H](C)C2)s1 ZINC000364764662 429263362 /nfs/dbraw/zinc/26/33/62/429263362.db2.gz PHOBSRHZWNFSID-LXZKKBNFSA-N 2 0 321.490 2.944 20 0 DFADRP CC(C)C[C@@H](C[NH+]1CCN([C@H]2CC[NH2+]C2)CC1)c1ccccc1 ZINC000489991506 429272510 /nfs/dbraw/zinc/27/25/10/429272510.db2.gz UGVJYMNIBSVVBU-PMACEKPBSA-N 2 0 315.505 2.796 20 0 DFADRP CS[C@H]1CC[C@H]1[NH2+]CCc1ccc(OCC[NH+](C)C)cc1 ZINC000425361598 429278890 /nfs/dbraw/zinc/27/88/90/429278890.db2.gz UJMUIYJIRVGGHS-SJORKVTESA-N 2 0 308.491 2.653 20 0 DFADRP C[C@H]1C[N@H+](CCC2CCCCC2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000491024678 429319595 /nfs/dbraw/zinc/31/95/95/429319595.db2.gz XWHQBXGAHFWTSQ-HKUYNNGSSA-N 2 0 307.526 2.915 20 0 DFADRP C[NH2+][C@H](CC(C)(C)C)C(=O)NCCCC[N@@H+]1CCC[C@H](C)C1 ZINC000449085163 429327058 /nfs/dbraw/zinc/32/70/58/429327058.db2.gz KUWRCZVZSFDTKE-JKSUJKDBSA-N 2 0 311.514 2.639 20 0 DFADRP C[NH2+][C@@H](CC(C)(C)C)C(=O)NCCCC[N@@H+]1CCCC[C@@H]1C ZINC000449087867 429328804 /nfs/dbraw/zinc/32/88/04/429328804.db2.gz XFZHDOFUFAWOEY-HOTGVXAUSA-N 2 0 311.514 2.781 20 0 DFADRP CCn1nnc(C)c1C[NH2+]Cc1cccc(C[N@H+](C)C(C)C)c1 ZINC000449100439 429330621 /nfs/dbraw/zinc/33/06/21/429330621.db2.gz QRQHMRPPVQHTIO-UHFFFAOYSA-N 2 0 315.465 2.736 20 0 DFADRP Cc1ccccc1[C@H]([NH3+])C(=O)N(C)CC[N@H+](C)C1CCCCC1 ZINC000449107244 429333179 /nfs/dbraw/zinc/33/31/79/429333179.db2.gz LWTQTDVAFSDFER-SFHVURJKSA-N 2 0 317.477 2.718 20 0 DFADRP COCCN1CCC[C@@H]1C[NH2+]C[C@@H](C)c1cc(F)cc(F)c1 ZINC000449119178 429336662 /nfs/dbraw/zinc/33/66/62/429336662.db2.gz WVSUQTSMYXNRFF-CXAGYDPISA-N 2 0 312.404 2.769 20 0 DFADRP Cc1cnn(CCCCC[N@@H+]2C[C@@H]3C[NH+]4CCCC[C@H]4[C@@H]3C2)c1 ZINC000365535754 429336855 /nfs/dbraw/zinc/33/68/55/429336855.db2.gz IFCQRCPFSWOYTA-QRVBRYPASA-N 2 0 316.493 2.778 20 0 DFADRP C[C@H](CN1CCN(C)CC1)[NH2+]Cc1cc(Cl)sc1Cl ZINC000449120256 429336967 /nfs/dbraw/zinc/33/69/67/429336967.db2.gz CNXUGDFHHOPESW-SNVBAGLBSA-N 2 0 322.305 2.780 20 0 DFADRP COCCN1CCC[C@H]1C[NH2+]C[C@@H](C)c1cc(F)cc(F)c1 ZINC000449119179 429337025 /nfs/dbraw/zinc/33/70/25/429337025.db2.gz WVSUQTSMYXNRFF-DYVFJYSZSA-N 2 0 312.404 2.769 20 0 DFADRP CCC[C@H]([NH2+]CCC[N@@H+]1CCC[C@H](C(N)=O)C1)C1CCCC1 ZINC000449133954 429339463 /nfs/dbraw/zinc/33/94/63/429339463.db2.gz GBYKWEDKGIUKID-IRXDYDNUSA-N 2 0 309.498 2.522 20 0 DFADRP C[NH2+][C@H](CC(C)(C)C)C(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000449142029 429341296 /nfs/dbraw/zinc/34/12/96/429341296.db2.gz MSIAMTDKGVETKX-QGZVFWFLSA-N 2 0 323.525 2.924 20 0 DFADRP CC[NH+](CC)[C@H](CNC(=O)[C@H]([NH3+])c1ccccc1C)CC(C)C ZINC000449150098 429344347 /nfs/dbraw/zinc/34/43/47/429344347.db2.gz QCEMUKWLHPSUDN-FUHWJXTLSA-N 2 0 319.493 2.868 20 0 DFADRP OC[C@@H]1CCc2ccccc2[C@@H]1[NH2+]CCC[NH+]1CCCCC1 ZINC000365267200 429291423 /nfs/dbraw/zinc/29/14/23/429291423.db2.gz NMWJYEPLEIIHJE-PKOBYXMFSA-N 2 0 302.462 2.748 20 0 DFADRP COC(=O)[C@H](CC[N@H+](C)C[C@@H]1CCC[NH+](C)C1)c1ccccc1 ZINC000425424210 429292760 /nfs/dbraw/zinc/29/27/60/429292760.db2.gz VZWUYMMOSBAECN-SJLPKXTDSA-N 2 0 318.461 2.607 20 0 DFADRP C[C@@H]([NH2+]C[C@@H](O)Cc1ccccc1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000425435242 429296421 /nfs/dbraw/zinc/29/64/21/429296421.db2.gz RULDFLQLFMDPOL-KPFFTGBYSA-N 2 0 316.489 2.833 20 0 DFADRP CCC[NH+](CCC)CCCC(=O)N1CCC[C@H]([NH+](C)C)CC1 ZINC000365307879 429298632 /nfs/dbraw/zinc/29/86/32/429298632.db2.gz YYSFWBAHGRCVNN-KRWDZBQOSA-N 2 0 311.514 2.831 20 0 DFADRP Cc1nsc(C)c1C[NH+]1CCC(OCC[NH+]2CCCC2)CC1 ZINC000517667479 429391500 /nfs/dbraw/zinc/39/15/00/429391500.db2.gz PTULQEMZVUMZLH-UHFFFAOYSA-N 2 0 323.506 2.837 20 0 DFADRP CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)C[C@@H]1CCCC[C@@H]1[NH3+] ZINC000449338242 429393467 /nfs/dbraw/zinc/39/34/67/429393467.db2.gz UOUCQIZCJAHWFX-BBWFWOEESA-N 2 0 309.498 2.665 20 0 DFADRP C[C@H]([NH2+]CC1=CCOCC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000449405439 429405387 /nfs/dbraw/zinc/40/53/87/429405387.db2.gz YMPRRBMTWLQGCC-LPHOPBHVSA-N 2 0 300.446 2.833 20 0 DFADRP C[C@@H](Cc1ccccc1)[NH+]1CCC([NH2+][C@@H]2CCO[C@H]2C)CC1 ZINC000449214901 429360449 /nfs/dbraw/zinc/36/04/49/429360449.db2.gz MPQPMENCLDXKDK-TXPKVOOTSA-N 2 0 302.462 2.849 20 0 DFADRP CC[C@H]([NH2+]Cc1ccccc1C[N@@H+]1CC[C@@H](O)C1)C1CCC1 ZINC000449236041 429363452 /nfs/dbraw/zinc/36/34/52/429363452.db2.gz WMAYLBRQAHZXBT-MOPGFXCFSA-N 2 0 302.462 2.922 20 0 DFADRP CCN(CC[NH2+][C@@H]1CC[N@H+](CC)C[C@@H]1C)CCC(F)(F)F ZINC000426079367 429364182 /nfs/dbraw/zinc/36/41/82/429364182.db2.gz PEWKBNCQEIEDPA-UONOGXRCSA-N 2 0 309.420 2.581 20 0 DFADRP CC(C)(C)CC(C)(C)[NH+]1CCC([NH2+]CCCn2ccnn2)CC1 ZINC000449240313 429365319 /nfs/dbraw/zinc/36/53/19/429365319.db2.gz NCFAIWYQDZVQNT-UHFFFAOYSA-N 2 0 321.513 2.937 20 0 DFADRP C[C@@H](Cc1ccccc1)[NH+]1CCC([NH2+][C@@H]2CCCC[C@H]2O)CC1 ZINC000449255138 429367062 /nfs/dbraw/zinc/36/70/62/429367062.db2.gz AZAMAEBZGBSEEC-PWIZWCRZSA-N 2 0 316.489 2.975 20 0 DFADRP COCC[C@@H](CO)[NH2+]C1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC000449302938 429381199 /nfs/dbraw/zinc/38/11/99/429381199.db2.gz LGLOIFJMOCFXSV-INIZCTEOSA-N 2 0 314.514 2.653 20 0 DFADRP COc1ccc(CC[C@@H](C)[NH2+]CCC[NH+]2CCCC2)cc1O ZINC000426362495 429384091 /nfs/dbraw/zinc/38/40/91/429384091.db2.gz BDOWESRQEHQLJE-OAHLLOKOSA-N 2 0 306.450 2.797 20 0 DFADRP C[C@H]1CCCC[C@H]1[NH+]1CCC(NCC[N@H+]2CC=CCC2)CC1 ZINC000366251036 429440166 /nfs/dbraw/zinc/44/01/66/429440166.db2.gz UTTVZMJQRZLCJB-PKOBYXMFSA-N 2 0 305.510 2.881 20 0 DFADRP C[C@H](CC(=O)Nc1cccc(F)c1)[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000366259235 429442711 /nfs/dbraw/zinc/44/27/11/429442711.db2.gz NCZXLYZLPXPVDN-XYPHTWIQSA-N 2 0 319.424 2.759 20 0 DFADRP C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)C[C@@H]2CCC[NH2+]CC2)C1 ZINC000427299727 429444127 /nfs/dbraw/zinc/44/41/27/429444127.db2.gz PNKBYIMHJSRNNH-IXDOHACOSA-N 2 0 323.525 2.639 20 0 DFADRP COc1cc(C)c(C[C@H](C)[NH2+]CCC[NH2+]C(C)C)cc1OC ZINC000519138305 429448999 /nfs/dbraw/zinc/44/89/99/429448999.db2.gz SFWFCLWSEIVNMA-HNNXBMFYSA-N 2 0 308.466 2.921 20 0 DFADRP OCC1(CC[NH2+][C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)CC1 ZINC000449580192 429454111 /nfs/dbraw/zinc/45/41/11/429454111.db2.gz NVOMDNPSLKPMAP-GBESFXJTSA-N 2 0 314.473 2.649 20 0 DFADRP OCC1(CC[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)CC1 ZINC000449579481 429454625 /nfs/dbraw/zinc/45/46/25/429454625.db2.gz GNVPBAMNNQLMSB-YQQQUEKLSA-N 2 0 314.473 2.934 20 0 DFADRP COC[C@H]([NH2+]Cc1ccc(C[NH3+])cc1)c1ccc(F)c(F)c1 ZINC000519401776 429456025 /nfs/dbraw/zinc/45/60/25/429456025.db2.gz FLOSMQUKNZGCGB-KRWDZBQOSA-N 2 0 306.356 2.901 20 0 DFADRP CC[C@H](NC(=O)CN1CC[C@@H]([NH3+])C[C@H]1C)c1ccc(Cl)cc1 ZINC000519540860 429463000 /nfs/dbraw/zinc/46/30/00/429463000.db2.gz CSGDVQFRYYSACW-WQVCFCJDSA-N 2 0 323.868 2.719 20 0 DFADRP [NH3+][C@H]1CCC[C@@H](CNC(=O)c2cccc(C[NH+]3CCCC3)c2)C1 ZINC000449642869 429468345 /nfs/dbraw/zinc/46/83/45/429468345.db2.gz HFTJPJXKFOHFDX-QAPCUYQASA-N 2 0 315.461 2.530 20 0 DFADRP CC[C@H](C)NC(=O)c1cccc(C[NH2+][C@@H](C)[C@H]2CCC[NH2+]C2)c1 ZINC000519596464 429468769 /nfs/dbraw/zinc/46/87/69/429468769.db2.gz QQUBTSGUSSOIKZ-MPGHIAIKSA-N 2 0 317.477 2.693 20 0 DFADRP CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)C1(C[NH+](C)C)CCCCC1 ZINC000426781056 429415241 /nfs/dbraw/zinc/41/52/41/429415241.db2.gz XRLXELRDGNFLBR-QGZVFWFLSA-N 2 0 323.525 2.831 20 0 DFADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCC[NH2+]C[C@](C)(O)C(F)(F)F)C1 ZINC000518757544 429431322 /nfs/dbraw/zinc/43/13/22/429431322.db2.gz DWASMGFZJOGLKN-MJBXVCDLSA-N 2 0 310.404 2.647 20 0 DFADRP C[C@@H]1C[C@@H](C)C[NH+](CCCC[NH2+]C[C@@](C)(O)C(F)(F)F)C1 ZINC000518757542 429432747 /nfs/dbraw/zinc/43/27/47/429432747.db2.gz DWASMGFZJOGLKN-MGPQQGTHSA-N 2 0 310.404 2.647 20 0 DFADRP COc1ccc(C[C@H](C)C[N@@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)cc1F ZINC000427119742 429434190 /nfs/dbraw/zinc/43/41/90/429434190.db2.gz MFWSPELGOHPDNN-QRTARXTBSA-N 2 0 306.425 2.697 20 0 DFADRP CC(C)C[N@@H+]1CC[C@H](CNC(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC000427141254 429434543 /nfs/dbraw/zinc/43/45/43/429434543.db2.gz ACSDCOVZOZBBRM-QGZVFWFLSA-N 2 0 323.525 2.593 20 0 DFADRP OC[C@@]1(C[NH2+]C2CC[NH+](CC3CC3)CC2)C[C@@H]1c1ccccc1 ZINC000519733883 429483654 /nfs/dbraw/zinc/48/36/54/429483654.db2.gz MPDPZVURZVWQTF-UXHICEINSA-N 2 0 314.473 2.617 20 0 DFADRP Cc1cc(C)n(-c2ccc(C[N@@H+]3CC[C@@H]4[NH2+]CC[C@H]4C3)cc2)n1 ZINC000428041059 429486787 /nfs/dbraw/zinc/48/67/87/429486787.db2.gz NLRAECARMOILHD-HKUYNNGSSA-N 2 0 310.445 2.673 20 0 DFADRP C[C@@H]([NH3+])[C@@H]1CCCCN1C(=O)c1ccc(Nc2cc[nH+]cc2)cc1 ZINC000428127968 429493355 /nfs/dbraw/zinc/49/33/55/429493355.db2.gz ZAXCWAPJWNHXTJ-KDOFPFPSSA-N 2 0 324.428 2.589 20 0 DFADRP C[N@H+]1CC=C(C[NH2+][C@H]2CN(Cc3ccccc3)C(C)(C)C2)CC1 ZINC000366692766 429496063 /nfs/dbraw/zinc/49/60/63/429496063.db2.gz DYQWFHCYQIQMSS-LJQANCHMSA-N 3 0 313.489 2.891 20 0 DFADRP CC(C)CC[C@H]([NH2+]CCCN1CC[NH+](C)CC1)c1ccoc1 ZINC000428223532 429500974 /nfs/dbraw/zinc/50/09/74/429500974.db2.gz BITQHDIPTOZZJC-SFHVURJKSA-N 2 0 307.482 2.984 20 0 DFADRP CC1=C[C@H](C)C[C@@H](C[NH+]2CCN(c3ccnc(C)n3)CC2)C1 ZINC000428283504 429508379 /nfs/dbraw/zinc/50/83/79/429508379.db2.gz ILCXQULSECJLGQ-WMLDXEAASA-N 2 0 300.450 2.899 20 0 DFADRP CC[NH+](CC)C[C@H](C)NC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC000449828470 429519053 /nfs/dbraw/zinc/51/90/53/429519053.db2.gz XEPQMDBIGLKZEK-RDJZCZTQSA-N 2 0 309.498 2.630 20 0 DFADRP C[NH+]1CCC(CCNC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)CC1 ZINC000449837958 429521538 /nfs/dbraw/zinc/52/15/38/429521538.db2.gz YNNUFBXIMYUMAT-GOSISDBHSA-N 2 0 321.509 2.632 20 0 DFADRP CC(C)[N@H+](C)CC1CC[NH+](CC[S@](=O)c2ccccc2)CC1 ZINC000520606895 429523137 /nfs/dbraw/zinc/52/31/37/429523137.db2.gz UENNNBQNAGOWQM-QFIPXVFZSA-N 2 0 322.518 2.846 20 0 DFADRP CCN1CCC([N@H+](C[C@H](O)Cc2ccccc2)C2CC2)CC1 ZINC000367006925 429556615 /nfs/dbraw/zinc/55/66/15/429556615.db2.gz KBIRHUABDVXXCC-LJQANCHMSA-N 2 0 302.462 2.539 20 0 DFADRP C[C@H](CN[C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1)C[NH+](C)C ZINC000521624740 429559109 /nfs/dbraw/zinc/55/91/09/429559109.db2.gz IVZOEVWHIRPRMS-MJGOQNOKSA-N 2 0 315.505 2.971 20 0 DFADRP CC(C)c1ccc([C@@H]([NH3+])CNC(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)cc1 ZINC000428914603 429559520 /nfs/dbraw/zinc/55/95/20/429559520.db2.gz GAZMNYPZWJKPCV-DAYGRLMNSA-N 2 0 317.477 2.799 20 0 DFADRP C[C@H](c1ccccc1)[C@@H](O)C[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000450265376 429588118 /nfs/dbraw/zinc/58/81/18/429588118.db2.gz XLFDFILZERYZNR-XLIONFOSSA-N 2 0 316.489 2.959 20 0 DFADRP COc1ccc(OCC[N@@H+]2CCCC3(CC[NH+](C)CC3)C2)cc1 ZINC000366900639 429536726 /nfs/dbraw/zinc/53/67/26/429536726.db2.gz GRGIPYUGTLOCJV-UHFFFAOYSA-N 2 0 318.461 2.882 20 0 DFADRP C[C@H](C[NH+]1CCC(c2ncc[nH]2)CC1)NC(=O)OC(C)(C)C ZINC000492435383 429538198 /nfs/dbraw/zinc/53/81/98/429538198.db2.gz LYULTFSREKLOFQ-GFCCVEGCSA-N 2 0 308.426 2.502 20 0 DFADRP CN1CC[NH+]=C1NC[C@H]1CCC[N@H+](C)[C@H]1c1cccc(Cl)c1 ZINC000366932236 429543074 /nfs/dbraw/zinc/54/30/74/429543074.db2.gz JXLIYHYETJSBHK-ZBFHGGJFSA-N 2 0 320.868 2.614 20 0 DFADRP Cc1ccccc1-n1cc(CN2CCC[C@H](n3ccnc3)C2)nn1 ZINC000367309423 429617252 /nfs/dbraw/zinc/61/72/52/429617252.db2.gz WKUUREJKOZVFPW-KRWDZBQOSA-N 2 0 322.416 2.609 20 0 DFADRP CCC[NH+]1CCC([N@H+](C)C[C@H](O)[C@H](C)c2ccccc2)CC1 ZINC000450471602 429636279 /nfs/dbraw/zinc/63/62/79/429636279.db2.gz WIRGCNQSBLCVQF-APWZRJJASA-N 2 0 304.478 2.957 20 0 DFADRP [NH3+][C@@H]1CCCCCC[C@@H]1C(=O)Nc1ccc2c(c1)C[NH2+]CC2 ZINC000429339815 429601723 /nfs/dbraw/zinc/60/17/23/429601723.db2.gz RWIVCLUNZGKFSN-DLBZAZTESA-N 2 0 301.434 2.569 20 0 DFADRP Cc1cccc2ncc(C[NH+]3CCC(C[NH+]4CCCC4)CC3)n21 ZINC000367229836 429602000 /nfs/dbraw/zinc/60/20/00/429602000.db2.gz UYPBLJPCKNIIIS-UHFFFAOYSA-N 2 0 312.461 2.951 20 0 DFADRP CC(C)[NH+]1CCC([N@H+](C)C[C@H](O)[C@@H](C)c2ccccc2)CC1 ZINC000450340143 429604691 /nfs/dbraw/zinc/60/46/91/429604691.db2.gz UPOBZVYIJRXJLB-LPHOPBHVSA-N 2 0 304.478 2.956 20 0 DFADRP CC(C)[NH+]1CCC([NH2+]C[C@@]2(CO)C[C@@H]2c2ccc(F)cc2)CC1 ZINC000429432749 429607436 /nfs/dbraw/zinc/60/74/36/429607436.db2.gz VGHLTODIGPYZMR-RTBURBONSA-N 2 0 320.452 2.754 20 0 DFADRP CC(C)[C@@H](C(=O)NC1CC[NH+](CC2CCCCC2)CC1)[NH+](C)C ZINC000364188685 275978132 /nfs/dbraw/zinc/97/81/32/275978132.db2.gz GBCZPTRFLUULGZ-SFHVURJKSA-N 2 0 323.525 2.734 20 0 DFADRP CCC[NH+]1CCC([NH2+]C[C@@]2(CO)C[C@H]2c2ccc(F)cc2)CC1 ZINC000429422555 429608156 /nfs/dbraw/zinc/60/81/56/429608156.db2.gz ZSNWMWMYHBJVQQ-RBUKOAKNSA-N 2 0 320.452 2.756 20 0 DFADRP [NH3+][C@H]1CCCCCC[C@H]1C(=O)NCC[NH2+]C1CCCCCC1 ZINC000429550817 429614348 /nfs/dbraw/zinc/61/43/48/429614348.db2.gz YUYLAPUEVUTLMB-SJORKVTESA-N 2 0 309.498 2.713 20 0 DFADRP CC(C)[C@H]([NH3+])C(=O)NCc1ccccc1C[N@@H+]1CCCC[C@@H]1C ZINC000164591297 276020216 /nfs/dbraw/zinc/02/02/16/276020216.db2.gz NKZGIWHXJWDMQS-YJBOKZPZSA-N 2 0 317.477 2.661 20 0 DFADRP CCc1cc(CCC[N@@H+]2CC[C@@H](C)[C@H](n3ccnc3)C2)on1 ZINC000450586185 429653455 /nfs/dbraw/zinc/65/34/55/429653455.db2.gz BJGVUVZRIUZSAT-RHSMWYFYSA-N 2 0 302.422 2.949 20 0 DFADRP CC[N@H+](C)C[C@H]1CCN([C@@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC000271257887 276075111 /nfs/dbraw/zinc/07/51/11/276075111.db2.gz HNKQEPZMTJAWNK-RTBURBONSA-N 2 0 301.478 2.535 20 0 DFADRP CC[N@H+](C)[C@H](C(=O)NCCC1CC[NH+](C)CC1)c1ccccc1 ZINC000103193295 276077638 /nfs/dbraw/zinc/07/76/38/276077638.db2.gz GEFRGBFSUHIMMZ-SFHVURJKSA-N 2 0 317.477 2.528 20 0 DFADRP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+]CCCOC)CC1 ZINC000181634041 276202974 /nfs/dbraw/zinc/20/29/74/276202974.db2.gz VZKLETSUEWENMM-HNNXBMFYSA-N 2 0 323.456 2.655 20 0 DFADRP CC(=O)Nc1ccc(C[NH2+][C@@H]2CC[N@@H+](C)[C@H]3CCC[C@@H]32)cc1 ZINC000367598207 429682528 /nfs/dbraw/zinc/68/25/28/429682528.db2.gz DDKBYJPJJXDZQQ-KURKYZTESA-N 2 0 301.434 2.607 20 0 DFADRP CC[NH+](CC)CCCC1CC[NH+](CC2(C(=O)OC)CC2)CC1 ZINC000450708662 429682571 /nfs/dbraw/zinc/68/25/71/429682571.db2.gz ANHUYERXBUKBCH-UHFFFAOYSA-N 2 0 310.482 2.774 20 0 DFADRP CC[NH+](CC)CCCC1CC[NH+](C[C@@H]2CCNC(=O)CC2)CC1 ZINC000450711463 429682846 /nfs/dbraw/zinc/68/28/46/429682846.db2.gz FDHPXQNBGYBIEH-SFHVURJKSA-N 2 0 323.525 2.737 20 0 DFADRP CN(CC[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@@H]21)Cc1ccccc1 ZINC000367599897 429683206 /nfs/dbraw/zinc/68/32/06/429683206.db2.gz IMXYIPUWYUGUAZ-GUDVDZBRSA-N 2 0 301.478 2.581 20 0 DFADRP Cc1cccc(-c2noc(CN3CCC[C@@H]([C@H](C)[NH3+])C3)n2)c1 ZINC000430545194 429689399 /nfs/dbraw/zinc/68/93/99/429689399.db2.gz HMLOOOVEJIFINV-DZGCQCFKSA-N 2 0 300.406 2.604 20 0 DFADRP CC[N@@H+]1CC[C@H]([NH2+][C@H]2CCN(C(C)=O)c3ccccc32)[C@@H](C)C1 ZINC000358374726 276231559 /nfs/dbraw/zinc/23/15/59/276231559.db2.gz OZIRTZUXIURKEV-WBAXXEDZSA-N 2 0 315.461 2.804 20 0 DFADRP CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCCC[NH+]1CC ZINC000354873982 276234502 /nfs/dbraw/zinc/23/45/02/276234502.db2.gz FTNKUACHBNMNBX-SJORKVTESA-N 2 0 309.498 2.632 20 0 DFADRP Cc1c(F)cccc1NC(=O)CC[N@H+]1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000430552742 429690348 /nfs/dbraw/zinc/69/03/48/429690348.db2.gz KOEGACFXGPYZCM-KGLIPLIRSA-N 2 0 307.413 2.522 20 0 DFADRP CC[N@H+](C)Cc1cccc(C[NH2+][C@@H]2C[C@H](C)[NH+](C)C[C@H]2C)c1 ZINC000246870081 276308376 /nfs/dbraw/zinc/30/83/76/276308376.db2.gz CNGQMXDZHMQNAK-JTDSTZFVSA-N 3 0 303.494 2.957 20 0 DFADRP Cc1cc(C)n(-c2ccc(C[N@@H+](C)CC(C)(C)C[NH3+])cc2)n1 ZINC000430562194 429692370 /nfs/dbraw/zinc/69/23/70/429692370.db2.gz CUSFJDVBJHDKGE-UHFFFAOYSA-N 2 0 300.450 2.906 20 0 DFADRP CC[NH+](CC)Cc1cccc(CNC(=O)[C@@H]2CCC[NH2+][C@@H]2C)c1 ZINC000289947256 276334950 /nfs/dbraw/zinc/33/49/50/276334950.db2.gz OZIORMUDCDLCNB-CRAIPNDOSA-N 2 0 317.477 2.533 20 0 DFADRP C[C@@H]([NH3+])[C@H]1CCC[N@H+](CCCc2nc(-c3ccccc3)no2)C1 ZINC000430583785 429696989 /nfs/dbraw/zinc/69/69/89/429696989.db2.gz TUJBPACJEXHYON-ZBFHGGJFSA-N 2 0 314.433 2.728 20 0 DFADRP CC[N@@H+]1CCCC[C@H]1C(=O)NC[C@@H](c1ccc(C)cc1)[NH+](C)C ZINC000354266422 276365646 /nfs/dbraw/zinc/36/56/46/276365646.db2.gz NMDURNVAMONPIO-ROUUACIJSA-N 2 0 317.477 2.588 20 0 DFADRP C[C@@H]1CCC[C@H](C[N@H+](C)[C@H]2CCN(C3CC[NH+](C)CC3)C2)C1 ZINC000367673244 429698390 /nfs/dbraw/zinc/69/83/90/429698390.db2.gz RCZJALWQPSWVSF-AOIWGVFYSA-N 2 0 307.526 2.913 20 0 DFADRP CCN(CCC[NH+](C)C)Cc1nc2c(s1)C[N@@H+](C(C)C)CC2 ZINC000367728262 429707127 /nfs/dbraw/zinc/70/71/27/429707127.db2.gz RVJLJNXEXLMTOU-UHFFFAOYSA-N 2 0 324.538 2.683 20 0 DFADRP [NH3+]C1CC[NH+](CCCOc2cccc(C(F)(F)F)c2)CC1 ZINC000430670553 429709284 /nfs/dbraw/zinc/70/92/84/429709284.db2.gz WJOOTMUZJOZJIY-UHFFFAOYSA-N 2 0 302.340 2.897 20 0 DFADRP C[C@@H]1CCCC[N@@H+]1Cc1ccc(NC(=O)[C@]2(C)CC[NH2+]C2)cc1 ZINC000430770088 429716471 /nfs/dbraw/zinc/71/64/71/429716471.db2.gz NLLQZVXSMJFDQH-DNVCBOLYSA-N 2 0 315.461 2.999 20 0 DFADRP C[NH+](C)CCOCC[NH2+]Cc1cnc(C2CCCCC2)s1 ZINC000527065247 429720942 /nfs/dbraw/zinc/72/09/42/429720942.db2.gz CUCGUGJYULIEDQ-UHFFFAOYSA-N 2 0 311.495 2.859 20 0 DFADRP CCC[C@@H](NC(=O)C[NH+]1CCC(C[NH2+]C)CC1)c1ccccc1 ZINC000430916170 429722506 /nfs/dbraw/zinc/72/25/06/429722506.db2.gz GNMABQYWXKHYII-GOSISDBHSA-N 2 0 317.477 2.575 20 0 DFADRP Clc1ccc2nc(C[NH+]3CCC4(CC[NH2+]C4)CC3)cn2c1 ZINC000430916739 429723039 /nfs/dbraw/zinc/72/30/39/429723039.db2.gz BEPSKZFYZBIPNQ-UHFFFAOYSA-N 2 0 304.825 2.563 20 0 DFADRP Cc1ccccc1-n1nccc1C[NH+]1CCC2(CC[NH2+]C2)CC1 ZINC000430919964 429723074 /nfs/dbraw/zinc/72/30/74/429723074.db2.gz SJVDCNYUTIMQJW-UHFFFAOYSA-N 2 0 310.445 2.756 20 0 DFADRP C[NH2+]CC1CC[NH+](Cc2ncc(-c3cccc(F)c3)o2)CC1 ZINC000430937073 429726941 /nfs/dbraw/zinc/72/69/41/429726941.db2.gz YXYOPIAENQZLLB-UHFFFAOYSA-N 2 0 303.381 2.912 20 0 DFADRP C[NH2+]CC1CC[NH+]([C@H](C)C(=O)Nc2ccc(SC)cc2)CC1 ZINC000430943291 429727868 /nfs/dbraw/zinc/72/78/68/429727868.db2.gz OMHMJMOXFRWVFG-CYBMUJFWSA-N 2 0 321.490 2.667 20 0 DFADRP C[C@H]1C[N@H+](Cc2ccc(OCc3ccccn3)cc2)CC[C@@H]1[NH3+] ZINC000430950795 429727893 /nfs/dbraw/zinc/72/78/93/429727893.db2.gz SMJPDFWVIXHCDX-KXBFYZLASA-N 2 0 311.429 2.830 20 0 DFADRP CCc1ccc(-c2noc(C[NH+]3CCC([C@@H](C)[NH3+])CC3)n2)cc1 ZINC000430936644 429728249 /nfs/dbraw/zinc/72/82/49/429728249.db2.gz VOMBLCSKOYUKLP-CYBMUJFWSA-N 2 0 314.433 2.858 20 0 DFADRP CCN(CC)C(=O)[C@H](c1ccccc1)[NH+]1CCC([C@@H](C)[NH3+])CC1 ZINC000430952095 429729873 /nfs/dbraw/zinc/72/98/73/429729873.db2.gz XTISBFDCEULKHR-QAPCUYQASA-N 2 0 317.477 2.655 20 0 DFADRP CCc1ccc(NC(=O)[C@@H](C)[NH+]2CCC3(CC[NH2+]C3)CC2)cc1 ZINC000431014452 429734671 /nfs/dbraw/zinc/73/46/71/429734671.db2.gz NSPGMLPAJDRBPX-OAHLLOKOSA-N 2 0 315.461 2.652 20 0 DFADRP CCOc1ccc(C(C)=O)cc1C[NH+]1CCC2(CC[NH2+]C2)CC1 ZINC000431015048 429735488 /nfs/dbraw/zinc/73/54/88/429735488.db2.gz RJIBKANLHIJRPH-UHFFFAOYSA-N 2 0 316.445 2.863 20 0 DFADRP CC(C)(C[NH3+])C(=O)Nc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000431049914 429736970 /nfs/dbraw/zinc/73/69/70/429736970.db2.gz QMYJTTAZCWNUSD-UHFFFAOYSA-N 2 0 303.450 2.986 20 0 DFADRP Cc1ccc(F)cc1NC(=O)[C@H](C)[NH+]1CCC2(CC[NH2+]C2)CC1 ZINC000431044627 429737531 /nfs/dbraw/zinc/73/75/31/429737531.db2.gz XPICCMWLSADVFR-AWEZNQCLSA-N 2 0 319.424 2.537 20 0 DFADRP C[NH+]1CCC(N[C@@H]2C[C@@H](C3CC3)[N@H+](Cc3ccccc3)C2)CC1 ZINC000367893975 429738935 /nfs/dbraw/zinc/73/89/35/429738935.db2.gz AOKUDSYQTSXWOR-UXHICEINSA-N 2 0 313.489 2.723 20 0 DFADRP C[NH+]1CCC(CC(=O)N2CCC[C@H]2C[NH+]2CCCCCC2)CC1 ZINC000368159331 429799982 /nfs/dbraw/zinc/79/99/82/429799982.db2.gz FIYCBSLQLAXVCS-SFHVURJKSA-N 2 0 321.509 2.585 20 0 DFADRP CC(C)C[C@@]1(C)CCC[N@@H+]1CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000451293981 429805257 /nfs/dbraw/zinc/80/52/57/429805257.db2.gz XFDMZMYRONMMQC-LJQANCHMSA-N 2 0 321.509 2.630 20 0 DFADRP Cn1cccc1C[N@H+]1C[C@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1 ZINC000367958643 429751031 /nfs/dbraw/zinc/75/10/31/429751031.db2.gz FBVVSOLMXAXDBJ-RTBURBONSA-N 2 0 309.457 2.979 20 0 DFADRP C[C@@H]1C[NH+](CCCC[NH2+]C/C=C\c2ccncc2)C[C@@H](C)O1 ZINC000486940917 429755888 /nfs/dbraw/zinc/75/58/88/429755888.db2.gz QIIJCPKITOJCJR-MBZYTVFJSA-N 2 0 303.450 2.574 20 0 DFADRP C[C@@H]1C[C@H]([NH2+][C@@H]2CCN(C3CC[NH+](C)CC3)C2)c2ccccc21 ZINC000368005424 429764504 /nfs/dbraw/zinc/76/45/04/429764504.db2.gz IPEMOPGYQGWVNO-QINHECLXSA-N 2 0 313.489 2.993 20 0 DFADRP Cc1cnn(C)c1C[N@H+]1CCC[C@H]1Cn1ccnc1C(C)C ZINC000368021130 429768092 /nfs/dbraw/zinc/76/80/92/429768092.db2.gz XWVKHKKFQSDQDL-HNNXBMFYSA-N 2 0 301.438 2.713 20 0 DFADRP C[C@@H](CNC(=O)C[C@@H](c1ccccc1)[NH+](C)C)C[NH+]1CCCC1 ZINC000431724896 429778905 /nfs/dbraw/zinc/77/89/05/429778905.db2.gz XGIHTAIIPMTDGJ-WMZOPIPTSA-N 2 0 317.477 2.528 20 0 DFADRP C[N@@H+]1CCCC[C@H]1CCC(=O)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000431841389 429786042 /nfs/dbraw/zinc/78/60/42/429786042.db2.gz BWXUDSLUGJDTHX-ROUUACIJSA-N 2 0 321.509 2.585 20 0 DFADRP CC(C)N1CCCC[C@H]1C[N@@H+]1CCC[C@@H](CC(C)(C)C(N)=O)C1 ZINC000451213616 429788870 /nfs/dbraw/zinc/78/88/70/429788870.db2.gz FFLLNTPSIBWWFB-IRXDYDNUSA-N 2 0 323.525 2.863 20 0 DFADRP CC[NH+](CC)[C@H](C)CNC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC000431906939 429789991 /nfs/dbraw/zinc/78/99/91/429789991.db2.gz KEKQEKPYGZJAPP-WBVHZDCISA-N 2 0 309.498 2.630 20 0 DFADRP CCc1nn(C)c(Cl)c1C[N@@H+]1CC[C@@H](C2CC[NH+](C)CC2)C1 ZINC000368135996 429794933 /nfs/dbraw/zinc/79/49/33/429794933.db2.gz SIDVHWYXMJUFBZ-CQSZACIVSA-N 2 0 324.900 2.800 20 0 DFADRP C[N@@H+]1CC[C@H](CNc2cc(C(C)(C)C)nc(C(C)(C)C)n2)C1 ZINC000432368389 429817259 /nfs/dbraw/zinc/81/72/59/429817259.db2.gz MIKBDQFIBUOMFU-CYBMUJFWSA-N 2 0 304.482 3.435 20 0 DFADRP C[C@@H]([NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1)c1ccccc1N(C)C ZINC000432410523 429822592 /nfs/dbraw/zinc/82/25/92/429822592.db2.gz PRFFSKBXGLUMPJ-DLBZAZTESA-N 2 0 319.493 2.904 20 0 DFADRP C[N@@H+]1CC[C@H](NC[C@@H]2CC[NH+]2C2CCCCC2)[C@@H]2CCC[C@H]21 ZINC000527952038 429827294 /nfs/dbraw/zinc/82/72/94/429827294.db2.gz SRXFDEVIUNSMJU-CADBVGFASA-N 2 0 305.510 2.856 20 0 DFADRP CC1CCC([NH+]2CCC([N@H+](C)CCc3ccnn3C)CC2)CC1 ZINC000368487711 429856483 /nfs/dbraw/zinc/85/64/83/429856483.db2.gz KZKFJVNETXKZHO-UHFFFAOYSA-N 2 0 318.509 2.938 20 0 DFADRP CC1(C)C[C@@H]([NH2+]CCC2(O)CCC2)CN1Cc1ccccc1 ZINC000368498795 429858068 /nfs/dbraw/zinc/85/80/68/429858068.db2.gz KPDFZIHOROCETB-QGZVFWFLSA-N 2 0 302.462 2.934 20 0 DFADRP C[C@H](CNC(=O)C1(C[NH+](C)C)CCCCC1)[N@@H+]1CCCC[C@@H]1C ZINC000494306299 429866411 /nfs/dbraw/zinc/86/64/11/429866411.db2.gz CZDNFIKWZJAPBP-DLBZAZTESA-N 2 0 323.525 2.878 20 0 DFADRP Fc1cccc(CN2CCC([NH2+]CCC[NH+]3CCCC3)CC2)c1 ZINC000368564265 429867992 /nfs/dbraw/zinc/86/79/92/429867992.db2.gz QEWHBDMJMVNILU-UHFFFAOYSA-N 2 0 319.468 2.866 20 0 DFADRP CC[NH+]1CCN(c2ccc(C[NH2+][C@H](C)[C@H]3CC34CC4)cn2)CC1 ZINC000527853902 429809382 /nfs/dbraw/zinc/80/93/82/429809382.db2.gz UOSSKGOFTFKKHU-NVXWUHKLSA-N 2 0 314.477 2.502 20 0 DFADRP C[N@@H+]1CC[C@H](C[NH2+]Cc2c[nH]c3nccnc23)[C@@H]1c1ccccc1 ZINC000368229058 429813023 /nfs/dbraw/zinc/81/30/23/429813023.db2.gz SOWNCOIQQPYMAT-QAPCUYQASA-N 2 0 321.428 2.692 20 0 DFADRP C[C@H]([NH2+]Cc1ccccc1C[N@@H+]1CCC[C@@H]1CO)[C@H]1CC12CC2 ZINC000527887771 429814366 /nfs/dbraw/zinc/81/43/66/429814366.db2.gz OYSQSPJLOVARCV-KFKAGJAMSA-N 2 0 314.473 2.922 20 0 DFADRP CO[C@H](Cc1ccc(F)cc1)C[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000528390343 429884101 /nfs/dbraw/zinc/88/41/01/429884101.db2.gz WXJBDKCYZAMHBH-IEBWSBKVSA-N 2 0 320.452 2.801 20 0 DFADRP CCn1nc(CN2C[C@@H]3C[N@@H+]4CCCC[C@H]4[C@H]3C2)c2ccccc21 ZINC000368708640 429889046 /nfs/dbraw/zinc/88/90/46/429889046.db2.gz YYZFIJGHKOIZGX-AYBZRNKSSA-N 2 0 324.472 2.972 20 0 DFADRP CCn1nc(CN2C[C@@H]3C[N@@H+]4CCCC[C@H]4[C@@H]3C2)c2ccccc21 ZINC000368708643 429889091 /nfs/dbraw/zinc/88/90/91/429889091.db2.gz YYZFIJGHKOIZGX-SUMDDJOVSA-N 2 0 324.472 2.972 20 0 DFADRP CCn1nc(CN2C[C@@H]3C[N@@H+]4CCCC[C@@H]4[C@H]3C2)c2ccccc21 ZINC000368708642 429889423 /nfs/dbraw/zinc/88/94/23/429889423.db2.gz YYZFIJGHKOIZGX-HHXXYDBFSA-N 2 0 324.472 2.972 20 0 DFADRP CN(C(=[NH2+])NC[C@]1(C)CC[N@H+](Cc2ccccc2)C1)C1CC1 ZINC000369054703 429909334 /nfs/dbraw/zinc/90/93/34/429909334.db2.gz MMMNXOYJNRXNMA-SFHVURJKSA-N 2 0 300.450 2.517 20 0 DFADRP CC(C)[NH+]1CCN(CCC[N@@H+]2CCC(F)(F)C[C@@H]2C)CC1 ZINC000528768321 429914768 /nfs/dbraw/zinc/91/47/68/429914768.db2.gz JTSSBIKLDFERQC-HNNXBMFYSA-N 2 0 303.441 2.522 20 0 DFADRP CCc1nn(C)c(CC)c1C[N@@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000369201701 429919156 /nfs/dbraw/zinc/91/91/56/429919156.db2.gz BNHVKQLUAVYCMA-UHFFFAOYSA-N 2 0 318.509 2.853 20 0 DFADRP C[C@@H]1C[C@H]1c1ccc(C[NH2+][C@@H]2CCN(C3CC[NH+](C)CC3)C2)o1 ZINC000369278304 429922198 /nfs/dbraw/zinc/92/21/98/429922198.db2.gz QFWZBEZDQSFKPM-IIDMSEBBSA-N 2 0 317.477 2.661 20 0 DFADRP CC[N@H+]1[C@H](C)CN([C@@H]2CC[NH+](Cc3ccccc3)C2)C[C@@H]1C ZINC000639743102 429962807 /nfs/dbraw/zinc/96/28/07/429962807.db2.gz IZTFMKCYDJGCNS-ZIFCJYIRSA-N 2 0 301.478 2.675 20 0 DFADRP C[NH+](C)C[C@]1(O)CCCN([C@H]2CCCc3ccc(F)cc32)C1 ZINC000639766028 429971942 /nfs/dbraw/zinc/97/19/42/429971942.db2.gz LGAYSEAPYKQRIP-ZWKOTPCHSA-N 2 0 306.425 2.592 20 0 DFADRP C[NH+]1CCC2(CC[N@H+](Cc3nnc(-c4ccccc4)o3)C2)CC1 ZINC000639760633 429972001 /nfs/dbraw/zinc/97/20/01/429972001.db2.gz YIBMXCJOKCUUQH-UHFFFAOYSA-N 2 0 312.417 2.654 20 0 DFADRP C[NH+]1CCC2(CC[N@H+](Cc3cncc(Br)c3)C2)CC1 ZINC000639758404 429972622 /nfs/dbraw/zinc/97/26/22/429972622.db2.gz SBAIKSDZUAVRFA-UHFFFAOYSA-N 2 0 324.266 2.762 20 0 DFADRP C[N@@H+]1CCC[C@H]1CC[NH+]1CC[C@H](c2ccc3cccnc3n2)C1 ZINC000639791224 429983112 /nfs/dbraw/zinc/98/31/12/429983112.db2.gz JHNZZGIGHOTIHW-IRXDYDNUSA-N 2 0 310.445 2.903 20 0 DFADRP C[N@H+](Cc1cccc2c1CCOC2)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000639643158 429929536 /nfs/dbraw/zinc/92/95/36/429929536.db2.gz BMEPZIZXNUSJCZ-JWTNVVGKSA-N 2 0 300.446 2.816 20 0 DFADRP CC(C)(C)C(=O)NCC[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000557261537 429935124 /nfs/dbraw/zinc/93/51/24/429935124.db2.gz DKFDNWKDVJLKPX-UHFFFAOYSA-N 2 0 309.498 2.535 20 0 DFADRP CN(C)c1cccc(C[N@@H+]2CCCN(c3cc[nH+]cc3)CC2)c1 ZINC000639682006 429943883 /nfs/dbraw/zinc/94/38/83/429943883.db2.gz DOJCGFJZXIYNLW-UHFFFAOYSA-N 2 0 310.445 2.860 20 0 DFADRP COc1cc(C)nc(C[N@@H+]2CCCN(c3cc[nH+]cc3)CC2)c1 ZINC000639703711 429953691 /nfs/dbraw/zinc/95/36/91/429953691.db2.gz MFTVMXFCYGVJRH-UHFFFAOYSA-N 2 0 312.417 2.506 20 0 DFADRP [NH3+][C@@H]1CCC[C@H]2C[N@H+](Cc3cnc(-c4ccccc4)nc3)C[C@H]21 ZINC000574277296 430028250 /nfs/dbraw/zinc/02/82/50/430028250.db2.gz OHKRUMVPEJNLOB-RCCFBDPRSA-N 2 0 308.429 2.703 20 0 DFADRP C[N@@H+]1CCC[C@H]1CN[C@H]1CC[NH+](Cc2ccccc2)C2(CC2)C1 ZINC000574322190 430031447 /nfs/dbraw/zinc/03/14/47/430031447.db2.gz RCCUCPXHOXVDTB-OALUTQOASA-N 2 0 313.489 2.867 20 0 DFADRP C[NH+](C)CCOC1CC[NH+](Cc2cccc3cccnc32)CC1 ZINC000353566179 276792051 /nfs/dbraw/zinc/79/20/51/276792051.db2.gz DTKAUJPWRVDDKQ-UHFFFAOYSA-N 2 0 313.445 2.777 20 0 DFADRP C[C@H]1C[C@H](C)C[NH+](CCN2CCC(C)([NH+]3CCCC3)CC2)C1 ZINC000639983844 430044788 /nfs/dbraw/zinc/04/47/88/430044788.db2.gz MOTKOUMFIQVJRA-ROUUACIJSA-N 2 0 307.526 2.915 20 0 DFADRP CCC1([NH+]2CCCC2)CCN(CCC(=O)N2CCCCC2)CC1 ZINC000639988509 430045459 /nfs/dbraw/zinc/04/54/59/430045459.db2.gz UDKGKYGPGYRTPO-UHFFFAOYSA-N 2 0 321.509 2.729 20 0 DFADRP CCC1([NH+]2CCCC2)CCN(CC(=O)N2CCCCCC2)CC1 ZINC000639988392 430046756 /nfs/dbraw/zinc/04/67/56/430046756.db2.gz QVEJTMNOKVZTHO-UHFFFAOYSA-N 2 0 321.509 2.729 20 0 DFADRP C[C@H]([NH2+][C@H]1CCN(c2ccc(Cl)cc2)C1)[C@@H]1CCC[NH2+]C1 ZINC000573912451 429992781 /nfs/dbraw/zinc/99/27/81/429992781.db2.gz ROADHLSFWQJURV-LZWOXQAQSA-N 2 0 307.869 2.896 20 0 DFADRP CC[N@H+](Cc1ccc(C(=O)N[C@H](C)C[C@H](C)[NH3+])cc1)C(C)C ZINC000573924465 429996842 /nfs/dbraw/zinc/99/68/42/429996842.db2.gz ULVAIMIOHYOTQY-LSDHHAIUSA-N 2 0 305.466 2.773 20 0 DFADRP C([NH2+]C1CC[NH+](C2CCCC2)CC1)C1CC[NH+](C2CC2)CC1 ZINC000373195625 276813589 /nfs/dbraw/zinc/81/35/89/276813589.db2.gz KXPOEFZLFFCFLJ-UHFFFAOYSA-N 3 0 305.510 2.857 20 0 DFADRP C[C@@H]1CCCC[N@@H+]1CCCC[NH2+]C[C@@H](O)Cc1ccccc1 ZINC000574032810 430003770 /nfs/dbraw/zinc/00/37/70/430003770.db2.gz WSFHGLZNPGHOIC-MJGOQNOKSA-N 2 0 304.478 2.834 20 0 DFADRP CC(C)[NH+]1CCN([C@H]2CC[N@H+](C[C@@H]3CCCC3(F)F)C2)CC1 ZINC000560218235 430026763 /nfs/dbraw/zinc/02/67/63/430026763.db2.gz PQPQVWHGKVRGHH-HOTGVXAUSA-N 2 0 315.452 2.522 20 0 DFADRP C1CC2(C1)[C@H]([NH2+]C1CC[NH+](C3CCCC3)CC1)[C@H]1CCO[C@@H]12 ZINC000122115485 276850830 /nfs/dbraw/zinc/85/08/30/276850830.db2.gz YULCEVCKMLNRJC-KURKYZTESA-N 2 0 304.478 2.941 20 0 DFADRP COCCOc1ccc(C[NH2+][C@@H]2CC[NH2+]CC(C)(C)C2)cc1 ZINC000634732248 430092717 /nfs/dbraw/zinc/09/27/17/430092717.db2.gz BJERVJYOBVSOSM-MRXNPFEDSA-N 2 0 306.450 2.580 20 0 DFADRP CC(C)N(C)c1ccc(C[NH2+][C@@H]2CC[NH2+]CC(C)(C)C2)cn1 ZINC000634733879 430093893 /nfs/dbraw/zinc/09/38/93/430093893.db2.gz QECYVJTVQGKYGE-MRXNPFEDSA-N 2 0 304.482 2.794 20 0 DFADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1N[C@H]1CC[NH2+]C12CCC2 ZINC000530221389 430105947 /nfs/dbraw/zinc/10/59/47/430105947.db2.gz PYFLITYSXUTGNR-QRQLOZEOSA-N 2 0 313.489 2.771 20 0 DFADRP Cc1ccc(C[NH+]2CCC(CO[C@@H]3CC[NH2+]C3)CC2)c(C)c1 ZINC000530242809 430107897 /nfs/dbraw/zinc/10/78/97/430107897.db2.gz VFTSWISMJDDAEA-LJQANCHMSA-N 2 0 302.462 2.894 20 0 DFADRP CC1(C)CCC[N@H+](CCNC(=O)Nc2ccn3ccnc3c2)C1 ZINC000562096669 430108311 /nfs/dbraw/zinc/10/83/11/430108311.db2.gz HXAZXOIEHAPHEC-UHFFFAOYSA-N 2 0 315.421 2.578 20 0 DFADRP C[C@@H]([NH2+][C@H]1CCc2nc[nH]c2C1)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000562101101 430108546 /nfs/dbraw/zinc/10/85/46/430108546.db2.gz ZGRJUBKWRAKALT-YPMHNXCESA-N 2 0 324.428 2.848 20 0 DFADRP CC(C)[NH+]1CCC(C(=O)NC[C@@H]2CC[N@@H+]2C2CCCCC2)CC1 ZINC000529714332 430056619 /nfs/dbraw/zinc/05/66/19/430056619.db2.gz HKYIAUTYAMOQRE-SFHVURJKSA-N 2 0 321.509 2.630 20 0 DFADRP C[C@@H]([NH3+])c1ccc(NC(=O)Cc2cccc3c2CC[NH2+]C3)cc1 ZINC000637857643 430150279 /nfs/dbraw/zinc/15/02/79/430150279.db2.gz SCHNHOVMYYMKSF-CYBMUJFWSA-N 2 0 309.413 2.533 20 0 DFADRP CC1(C)[C@H]([NH2+]CC2CC[NH2+]CC2)C[C@H]1OCc1ccccc1 ZINC000580827873 430155309 /nfs/dbraw/zinc/15/53/09/430155309.db2.gz XXGDWRFFUFJCSL-QZTJIDSGSA-N 2 0 302.462 2.960 20 0 DFADRP CCC[C@@H](C)NC(=O)[C@@H](C)[NH+]1CCC(Nc2ccccn2)CC1 ZINC000535572729 430162657 /nfs/dbraw/zinc/16/26/57/430162657.db2.gz BBMGDEPWAUJEPA-HUUCEWRRSA-N 2 0 318.465 2.651 20 0 DFADRP C[NH+]1CCC(N2CC[C@@H]([NH2+][C@H]3CCc4ccc(F)cc43)C2)CC1 ZINC000370636158 277028231 /nfs/dbraw/zinc/02/82/31/277028231.db2.gz QRFMQEYCCSCUPP-APWZRJJASA-N 2 0 317.452 2.571 20 0 DFADRP C[N@@H+]1CCCC[C@@H]1CC[NH+]1CCCN2c3ccccc3C[C@H]2C1 ZINC000289479856 277043429 /nfs/dbraw/zinc/04/34/29/277043429.db2.gz NZTXTLSOUQKHTP-MOPGFXCFSA-N 2 0 313.489 2.998 20 0 DFADRP CC[C@H]1C[N@H+](Cc2cccc(-c3ccc(N)cc3)n2)CC[C@@H]1[NH3+] ZINC000634991261 430185641 /nfs/dbraw/zinc/18/56/41/430185641.db2.gz WONGYIOCCUWGII-KSSFIOAISA-N 2 0 310.445 2.890 20 0 DFADRP [NH3+]C[C@H]1CC[C@H]([NH2+]C2CCN(CCC(F)(F)F)CC2)CC1 ZINC000635006235 430194343 /nfs/dbraw/zinc/19/43/43/430194343.db2.gz QPOPZEZKRRRRJQ-JOCQHMNTSA-N 2 0 307.404 2.510 20 0 DFADRP CC(C)n1ccc(C[C@@H](C)[NH2+]CC[C@@H]([NH3+])Cc2ccccc2)n1 ZINC000635008156 430194354 /nfs/dbraw/zinc/19/43/54/430194354.db2.gz QVRGJGXOIZCUAJ-SJLPKXTDSA-N 2 0 314.477 2.945 20 0 DFADRP COc1ccccc1NC(=O)C[C@@H](C)[NH2+][C@H]1CC[C@H](C[NH3+])CC1 ZINC000635004802 430194480 /nfs/dbraw/zinc/19/44/80/430194480.db2.gz FZWIELPLXGCNPP-RBSFLKMASA-N 2 0 319.449 2.519 20 0 DFADRP CC1(C)[C@H]([NH2+]Cc2cccc3c2CC[NH2+]C3)[C@H]2CCCO[C@@H]21 ZINC000635007603 430194634 /nfs/dbraw/zinc/19/46/34/430194634.db2.gz FEGYWRYDTQDKJR-KURKYZTESA-N 2 0 300.446 2.626 20 0 DFADRP [NH3+][C@H](CC[NH2+][C@H]1CCCC12CCOCC2)Cc1ccccc1 ZINC000635004669 430194661 /nfs/dbraw/zinc/19/46/61/430194661.db2.gz FXCUKHKNUHGVLV-MSOLQXFVSA-N 2 0 302.462 2.885 20 0 DFADRP CCOc1cc(C[N@@H+]2C[C@H](C)[C@H](C[NH3+])C2)ccc1OC(F)F ZINC000635000535 430188685 /nfs/dbraw/zinc/18/86/85/430188685.db2.gz QBWPDVJZFUYAKP-WCQYABFASA-N 2 0 314.376 2.713 20 0 DFADRP Cc1ccc([C@@H](CNc2nc(C)ncc2C)[NH+]2CCCC2)o1 ZINC000563416874 430189147 /nfs/dbraw/zinc/18/91/47/430189147.db2.gz LVFXRASSXBDMKL-OAHLLOKOSA-N 2 0 300.406 3.244 20 0 DFADRP C[N@H+](CCCC[NH+]1CCCCC1)[C@H]1CCN(C(C)(C)C)C1=O ZINC000640534068 430191089 /nfs/dbraw/zinc/19/10/89/430191089.db2.gz KLOVYHUHTOGVQI-INIZCTEOSA-N 2 0 309.498 2.584 20 0 DFADRP COc1cc2c(cc1OC)[C@H]([NH2+][C@H]1CC[C@H](C[NH3+])CC1)CC2 ZINC000635003232 430191751 /nfs/dbraw/zinc/19/17/51/430191751.db2.gz ATEGWSDPBDUBMO-XNRPHZJLSA-N 2 0 304.434 2.798 20 0 DFADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C[NH2+][C@@H]1CC[NH2+]CC[C@H]1C ZINC000635003828 430191764 /nfs/dbraw/zinc/19/17/64/430191764.db2.gz LYSPIOKNCOGVFH-IZBJGVDFSA-N 3 0 315.505 2.732 20 0 DFADRP C[C@H](C(=O)N1CCC(C)CC1)[N@H+](C)CCCC[NH+]1CCCCC1 ZINC000640532546 430192303 /nfs/dbraw/zinc/19/23/03/430192303.db2.gz SYCJDRAZAFEPGW-GOSISDBHSA-N 2 0 323.525 2.831 20 0 DFADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]Cc1cccc2c1CC[NH2+]C2 ZINC000635006095 430192929 /nfs/dbraw/zinc/19/29/29/430192929.db2.gz XLSAUZYLLUMSCT-QAPCUYQASA-N 3 0 301.478 2.733 20 0 DFADRP C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000635004983 430192946 /nfs/dbraw/zinc/19/29/46/430192946.db2.gz RTWMPFIFTCPDMP-DZUNGVIMSA-N 2 0 313.489 2.627 20 0 DFADRP COc1cccc(C[C@H](C)[NH2+]CC[C@H]([NH3+])Cc2ccccc2)n1 ZINC000635005352 430193417 /nfs/dbraw/zinc/19/34/17/430193417.db2.gz IFGPTTCUCFUJIH-RDJZCZTQSA-N 2 0 313.445 2.571 20 0 DFADRP C[N@@H+]1CC[C@H](CNC(=[NH2+])N2CCCCC2)[C@@H]1c1cccs1 ZINC000370160086 277162489 /nfs/dbraw/zinc/16/24/89/277162489.db2.gz FNLRGJMJXBCGQC-UKRRQHHQSA-N 2 0 306.479 2.751 20 0 DFADRP C[C@H](Nc1cc(N2CC[NH2+]CC2)cc[nH+]1)c1cc(F)ccc1F ZINC000635008802 430195135 /nfs/dbraw/zinc/19/51/35/430195135.db2.gz KQYOXBPUBYXBNW-LBPRGKRZSA-N 2 0 318.371 2.943 20 0 DFADRP Cc1cc([C@@H](C)Nc2cc(N3CC[NH2+]CC3)cc[nH+]2)oc1C ZINC000635008987 430196509 /nfs/dbraw/zinc/19/65/09/430196509.db2.gz LOADDVIXFBDLFE-CYBMUJFWSA-N 2 0 300.406 2.874 20 0 DFADRP Cc1cccc(NC(=O)C[C@H](C)[NH2+][C@H]2CC[C@H](C[NH3+])CC2)c1 ZINC000635009415 430196622 /nfs/dbraw/zinc/19/66/22/430196622.db2.gz YJYMETKUXALJNA-JYJNAYRXSA-N 2 0 303.450 2.819 20 0 DFADRP [NH3+][C@H](CCN[C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1)Cc1ccccc1 ZINC000635008159 430196663 /nfs/dbraw/zinc/19/66/63/430196663.db2.gz QWBZARKLTQDMCX-IYWMVGAKSA-N 2 0 315.505 2.847 20 0 DFADRP C[C@@H](O)C[N@H+](C)C1CCN(CC(C)(C)Oc2ccccc2)CC1 ZINC000638047746 430219811 /nfs/dbraw/zinc/21/98/11/430219811.db2.gz LIKMKGIFLBGEGA-MRXNPFEDSA-N 2 0 320.477 2.621 20 0 DFADRP COc1cc(C)c(C[N@@H+]2CCC[C@@H]3C[NH+](C)CC[C@H]32)cc1OC ZINC000581575142 430220406 /nfs/dbraw/zinc/22/04/06/430220406.db2.gz DFAFNMGMKLNLBC-NVXWUHKLSA-N 2 0 318.461 2.928 20 0 DFADRP CC[NH2+][C@@H](C)C(=O)Nc1ccc(C[N@@H+]2CCCC[C@H]2C)cc1 ZINC000638061982 430224344 /nfs/dbraw/zinc/22/43/44/430224344.db2.gz BUKNDYVJTWSQRV-CABCVRRESA-N 2 0 303.450 2.998 20 0 DFADRP CC(C)[NH+]1CCN([C@@H]2CC[N@H+](CC3CCC(C)CC3)C2)CC1 ZINC000542507786 430212701 /nfs/dbraw/zinc/21/27/01/430212701.db2.gz MCRBUZNSYJJPQL-CTWPCTMYSA-N 2 0 307.526 2.913 20 0 DFADRP COc1cc(C[N@H+](C)CC2CC[NH+](C)CC2)c(Cl)cc1O ZINC000638028921 430212977 /nfs/dbraw/zinc/21/29/77/430212977.db2.gz KPKMLVZIVUVJKZ-UHFFFAOYSA-N 2 0 312.841 2.828 20 0 DFADRP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+](C)C[C@H]1CCCC[C@@H]1O ZINC000542484975 430213093 /nfs/dbraw/zinc/21/30/93/430213093.db2.gz CNOWGCBILMJPCX-QAPCUYQASA-N 2 0 314.433 2.559 20 0 DFADRP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+][C@H]1CCO[C@H](C(C)C)C1 ZINC000543238499 430242064 /nfs/dbraw/zinc/24/20/64/430242064.db2.gz OIMVPPLSSNXKBM-WMZOPIPTSA-N 2 0 314.433 2.869 20 0 DFADRP Cc1ccc(C[NH2+][C@H]2CCC[C@@H]([NH3+])C2)c(-n2cc(Cl)cn2)n1 ZINC000581834991 430242881 /nfs/dbraw/zinc/24/28/81/430242881.db2.gz IPOBRAHTGBDEJN-CABCVRRESA-N 2 0 319.840 2.589 20 0 DFADRP Cc1cc(C[NH3+])oc1C(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000638126458 430243458 /nfs/dbraw/zinc/24/34/58/430243458.db2.gz VUWYJPKXRRWUNQ-UHFFFAOYSA-N 2 0 319.449 2.574 20 0 DFADRP C[C@H]1CCC[N@H+](CCCCNC(=O)[C@H]2CC[NH+]2C2CCCC2)C1 ZINC000635326081 430255235 /nfs/dbraw/zinc/25/52/35/430255235.db2.gz UFRZUOCYGXLTBQ-FUHWJXTLSA-N 2 0 321.509 2.632 20 0 DFADRP COc1cccc(C)c1C[N@@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@H]21 ZINC000638183611 430264806 /nfs/dbraw/zinc/26/48/06/430264806.db2.gz VGEUBPCFWIXZFU-KVSKMBFKSA-N 2 0 318.461 2.687 20 0 DFADRP COc1cccc(C)c1C[N@@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@@H]21 ZINC000638183610 430265441 /nfs/dbraw/zinc/26/54/41/430265441.db2.gz VGEUBPCFWIXZFU-HHXXYDBFSA-N 2 0 318.461 2.687 20 0 DFADRP C[C@H](Cc1ccsc1)[N@@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@@H]21 ZINC000544008752 430270651 /nfs/dbraw/zinc/27/06/51/430270651.db2.gz PBZHCQUDTIPNDL-MXASKKJJSA-N 2 0 308.491 2.863 20 0 DFADRP CC[N@H+](C)Cc1cccc(CNC(=O)C[NH+](C)CC(C)(C)C)c1 ZINC000635409810 430273094 /nfs/dbraw/zinc/27/30/94/430273094.db2.gz WAZTYQWEXCKXNY-UHFFFAOYSA-N 2 0 319.493 2.732 20 0 DFADRP CC[NH2+][C@H](C)C(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC000638078124 430229112 /nfs/dbraw/zinc/22/91/12/430229112.db2.gz DCVBAKGLCDZAIY-OAHLLOKOSA-N 2 0 303.450 2.652 20 0 DFADRP C[N@H+](CCCNC(=O)C12CCC[NH+](CCC1)C2)C1CCCCC1 ZINC000635215570 430229268 /nfs/dbraw/zinc/22/92/68/430229268.db2.gz BVRVJWXZTRYKAH-UHFFFAOYSA-N 2 0 321.509 2.633 20 0 DFADRP C[C@H](CCC[NH3+])[NH2+]CCNc1ncc(C(F)(F)F)cc1Cl ZINC000565945096 430234339 /nfs/dbraw/zinc/23/43/39/430234339.db2.gz OGVJPYUMTMGZIN-SECBINFHSA-N 2 0 324.778 2.883 20 0 DFADRP C[C@@H](C(=O)Nc1ccc(Cl)cc1)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000581726936 430236641 /nfs/dbraw/zinc/23/66/41/430236641.db2.gz SDYFXHYCNAMUHF-SUMWQHHRSA-N 2 0 321.852 2.743 20 0 DFADRP C[C@@H]1C[C@H]([NH2+]Cc2cccc(OCC[NH+](C)C)c2)C[C@H](C)O1 ZINC000568355095 430349960 /nfs/dbraw/zinc/34/99/60/430349960.db2.gz NJDQUCFIYCAIPN-QLPKVWCKSA-N 2 0 306.450 2.673 20 0 DFADRP C[C@H]([NH2+]Cc1ccc(C[NH+]2CCC(O)CC2)cc1)[C@H]1CC1(F)F ZINC000638272791 430290343 /nfs/dbraw/zinc/29/03/43/430290343.db2.gz CHKYJUVOAYIMCL-SUMWQHHRSA-N 2 0 324.415 2.777 20 0 DFADRP C[C@H]1C[C@@H]([NH2+]Cc2ccc(C[NH+]3CCC(O)CC3)cc2)CS1 ZINC000638274431 430292048 /nfs/dbraw/zinc/29/20/48/430292048.db2.gz OLECZUIDNIZLPG-WMLDXEAASA-N 2 0 320.502 2.627 20 0 DFADRP c1cn(CC[NH2+][C@@H]2CCN(C3CC3)[C@H](c3ccccc3)C2)cn1 ZINC000638298398 430296457 /nfs/dbraw/zinc/29/64/57/430296457.db2.gz OYXDTVNQGZGLNS-MJGOQNOKSA-N 3 0 310.445 2.841 20 0 DFADRP C[C@@H](c1ccc2c(c1)CCC(=O)N2)[N@@H+]1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000582414672 430296627 /nfs/dbraw/zinc/29/66/27/430296627.db2.gz VNFLVGFUIRFWHO-FHSNZYRGSA-N 2 0 301.434 2.549 20 0 DFADRP CCC(CC)[C@H](C[NH2+]CCCc1cnn(C)c1)[NH+]1CCCC1 ZINC000638349811 430311174 /nfs/dbraw/zinc/31/11/74/430311174.db2.gz WDFAXEOOCZOKOV-SFHVURJKSA-N 2 0 306.498 2.843 20 0 DFADRP CCO[C@@H]1C[C@H]([NH2+]CCCC[N@@H+]2CCC[C@H](C)C2)[C@]12CCCO2 ZINC000638366291 430318723 /nfs/dbraw/zinc/31/87/23/430318723.db2.gz MZBYCPBDSBNWQG-INDMIFKZSA-N 2 0 324.509 2.815 20 0 DFADRP Cc1cc(C[NH3+])cc(NC(=O)[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000638365938 430318930 /nfs/dbraw/zinc/31/89/30/430318930.db2.gz LRJCPSKCSDONIX-GOSISDBHSA-N 2 0 323.440 2.914 20 0 DFADRP C[C@H](C[C@H]1CCCC(=O)N1)[NH2+]CCCC[N@@H+]1CCC[C@@H](C)C1 ZINC000638367025 430318972 /nfs/dbraw/zinc/31/89/72/430318972.db2.gz RQGJMPKPOLJOML-BRWVUGGUSA-N 2 0 309.498 2.535 20 0 DFADRP COc1cc(C[NH2+]CCCC[NH+]2C[C@H](C)C[C@@H](C)C2)sn1 ZINC000638372527 430319829 /nfs/dbraw/zinc/31/98/29/430319829.db2.gz XFOSXDAQDDFMEY-ZIAGYGMSSA-N 2 0 311.495 2.999 20 0 DFADRP CC[N@@H+]1CC[C@H](N(C)C(=O)[C@@H](CC(C)C)n2ccnc2)[C@H](C)C1 ZINC000635603095 430321336 /nfs/dbraw/zinc/32/13/36/430321336.db2.gz LXOZJCIIOYURCL-IXDOHACOSA-N 2 0 320.481 2.659 20 0 DFADRP CCOC1CC(C[NH2+]Cc2cccc(OCC[NH+](C)C)c2)C1 ZINC000638381084 430323064 /nfs/dbraw/zinc/32/30/64/430323064.db2.gz GLUXSKKGJMGJMB-UHFFFAOYSA-N 2 0 306.450 2.532 20 0 DFADRP [NH3+][C@H](CCC(=O)N1CCC[C@@H]1C[NH+]1CCCC1)c1ccccc1 ZINC000582788792 430333929 /nfs/dbraw/zinc/33/39/29/430333929.db2.gz NUZPLGODKVZZNB-QZTJIDSGSA-N 2 0 315.461 2.553 20 0 DFADRP CCC[C@H](C[NH2+]Cc1cccc(CN2CCO[C@H](C)C2)c1)OC ZINC000638421413 430336927 /nfs/dbraw/zinc/33/69/27/430336927.db2.gz VFKHAYDIFPIGEL-VQIMIIECSA-N 2 0 320.477 2.812 20 0 DFADRP C[C@@H]1CN(Cc2cccc(C[NH2+]Cc3ccns3)c2)CCO1 ZINC000638421420 430337078 /nfs/dbraw/zinc/33/70/78/430337078.db2.gz VIOPMEMIYZFSPE-CQSZACIVSA-N 2 0 317.458 2.654 20 0 DFADRP C[C@@H](CCN1CC[NH+](C)CC1)[NH2+][C@H]1CCc2c1cccc2Cl ZINC000546017630 430342566 /nfs/dbraw/zinc/34/25/66/430342566.db2.gz GAQAUSGKEHELEX-KSSFIOAISA-N 2 0 321.896 2.943 20 0 DFADRP C[NH+](C)CCOc1ccccc1C[NH2+]CC1CCSCC1 ZINC000638448915 430345765 /nfs/dbraw/zinc/34/57/65/430345765.db2.gz UHXCOZSMTPIXPE-UHFFFAOYSA-N 2 0 308.491 2.860 20 0 DFADRP CO[C@H](C[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2C)Cc1ccccc1 ZINC000638701025 430412366 /nfs/dbraw/zinc/41/23/66/430412366.db2.gz NDBMVZPHPWPLRU-IPQPSQTFSA-N 2 0 302.462 2.849 20 0 DFADRP C[C@H]1C[C@H]([NH2+]Cc2ccccc2C[NH+]2CCC(O)CC2)CS1 ZINC000638718164 430415370 /nfs/dbraw/zinc/41/53/70/430415370.db2.gz FEBKKBPTOOXFPG-YOEHRIQHSA-N 2 0 320.502 2.627 20 0 DFADRP CC(C)C[C@H](CNC(=O)CC[N@H+](C)C1CCCCC1)[NH+](C)C ZINC000547732868 430416454 /nfs/dbraw/zinc/41/64/54/430416454.db2.gz IPPHJXPMFZLRJN-QGZVFWFLSA-N 2 0 311.514 2.734 20 0 DFADRP Clc1cc(CN2CCC[C@]3(CC[NH2+]C3)C2)cc2c1OCO2 ZINC000583014922 430356343 /nfs/dbraw/zinc/35/63/43/430356343.db2.gz KGXNVJIJZFPHHF-MRXNPFEDSA-N 2 0 308.809 2.644 20 0 DFADRP CC[C@@](C)(C[NH2+]Cc1ccccc1C[NH+]1CCC(O)CC1)OC ZINC000638720019 430417068 /nfs/dbraw/zinc/41/70/68/430417068.db2.gz PXXCLWVPXIHGLK-IBGZPJMESA-N 2 0 320.477 2.548 20 0 DFADRP CCOC1CC(C[NH2+]C[C@H]2CC[N@H+](CCc3ccccc3)C2)C1 ZINC000638522134 430366096 /nfs/dbraw/zinc/36/60/96/430366096.db2.gz XOUGKMUZELOJQL-XEVCZEQESA-N 2 0 316.489 2.956 20 0 DFADRP C[C@@H](C[C@@H]1CCCC(=O)N1)[NH2+]CCCCC[NH+]1CCCCC1 ZINC000638527941 430369102 /nfs/dbraw/zinc/36/91/02/430369102.db2.gz PCIRUCLJNMEYSF-IRXDYDNUSA-N 2 0 309.498 2.680 20 0 DFADRP C[NH+](C)CCOc1ccc(CC[NH2+]CC2CCSCC2)cc1 ZINC000638539492 430371373 /nfs/dbraw/zinc/37/13/73/430371373.db2.gz ANJWKNFUZKMMIR-UHFFFAOYSA-N 2 0 322.518 2.902 20 0 DFADRP C[C@H](CCc1ccc(O)cc1)[NH2+]C1CC[NH+](CC(C)(C)O)CC1 ZINC000638550487 430374865 /nfs/dbraw/zinc/37/48/65/430374865.db2.gz NHRMVYOAXRCTEC-OAHLLOKOSA-N 2 0 320.477 2.538 20 0 DFADRP CC(C)(C[NH3+])C(=O)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000568622302 430375927 /nfs/dbraw/zinc/37/59/27/430375927.db2.gz BAQPIHBZJVCZSF-OAHLLOKOSA-N 2 0 323.868 2.578 20 0 DFADRP CC[N@H+](C)Cc1cccc(C[NH2+]C[C@@H](OC)C2CCOCC2)c1 ZINC000638563178 430376754 /nfs/dbraw/zinc/37/67/54/430376754.db2.gz IXNPHUTYFGWONM-LJQANCHMSA-N 2 0 320.477 2.670 20 0 DFADRP CC[N@H+](C)Cc1cccc(C[NH2+]CCCc2cnn(C)c2)c1 ZINC000638563978 430376845 /nfs/dbraw/zinc/37/68/45/430376845.db2.gz UPZGHFJPUUUTIE-UHFFFAOYSA-N 2 0 300.450 2.594 20 0 DFADRP CC[N@H+](C)Cc1cccc(C[NH2+]Cc2cnc(OC)s2)c1 ZINC000638563588 430376938 /nfs/dbraw/zinc/37/69/38/430376938.db2.gz PFAVRWHZGDLTME-UHFFFAOYSA-N 2 0 305.447 2.893 20 0 DFADRP c1cc(OCC[NH+]2CCCC2)ccc1C[NH2+]CCC[C@H]1CCO1 ZINC000638608208 430388801 /nfs/dbraw/zinc/38/88/01/430388801.db2.gz CBHZQOORQYEXCM-SFHVURJKSA-N 2 0 318.461 2.820 20 0 DFADRP CCC[N@H+](CC)Cc1ccc(C(=O)N2CCC[C@H](C[NH3+])C2)cc1 ZINC000583380249 430390634 /nfs/dbraw/zinc/39/06/34/430390634.db2.gz UZIKDVGFJRSOKG-QGZVFWFLSA-N 2 0 317.477 2.729 20 0 DFADRP [NH3+][C@@H]1CCCO[C@@H]1C1CC[NH+](Cc2cnc(C3CC3)s2)CC1 ZINC000583552829 430406803 /nfs/dbraw/zinc/40/68/03/430406803.db2.gz WQRZEBUQIQBZIC-HZPDHXFCSA-N 2 0 321.490 2.739 20 0 DFADRP c1nc(C2CCCCC2)sc1C[NH2+]CCCN1CC[NH2+]CC1 ZINC000568962697 430409098 /nfs/dbraw/zinc/40/90/98/430409098.db2.gz LSKOGVVPVAXIDR-UHFFFAOYSA-N 2 0 322.522 2.576 20 0 DFADRP Cc1ccccc1O[C@H](C)C[NH2+]C1CC[NH+](CC(C)(C)O)CC1 ZINC000638691632 430410945 /nfs/dbraw/zinc/41/09/45/430410945.db2.gz ZXZCOVXMSPCMHO-MRXNPFEDSA-N 2 0 320.477 2.587 20 0 DFADRP COc1nc2ccccc2cc1C[NH2+][C@H]1CCn2ccnc2C1 ZINC000547967064 430434464 /nfs/dbraw/zinc/43/44/64/430434464.db2.gz ZOUPXVZHCSEPPV-HNNXBMFYSA-N 2 0 308.385 2.545 20 0 DFADRP C[NH+](C)Cc1ccc(NC(=O)C23CCC[NH+](CCC2)C3)c(F)c1 ZINC000636024544 430441528 /nfs/dbraw/zinc/44/15/28/430441528.db2.gz SKQYYAKRYVKCOC-UHFFFAOYSA-N 2 0 319.424 2.702 20 0 DFADRP CC(C)[N@@H+]1CCCN(C(=O)CC[NH+](C)C2CCCCC2)CC1 ZINC000548060400 430444254 /nfs/dbraw/zinc/44/42/54/430444254.db2.gz ZIYYBUIFRLGDTG-UHFFFAOYSA-N 2 0 309.498 2.584 20 0 DFADRP COc1cc(C[NH2+]C(C)(C)CCN2CC[NH+](C)CC2)ccc1C ZINC000583987990 430447555 /nfs/dbraw/zinc/44/75/55/430447555.db2.gz BTTRTVAELJZYSC-UHFFFAOYSA-N 2 0 319.493 2.509 20 0 DFADRP Cc1cc(N[C@H](C)[C@@H]2CN(Cc3ccccc3)CCO2)cc[nH+]1 ZINC000548153559 430450840 /nfs/dbraw/zinc/45/08/40/430450840.db2.gz AGYBOMPLEZKKKQ-APWZRJJASA-N 2 0 311.429 2.513 20 0 DFADRP CSc1ccc(C[NH2+]CCCC[NH+]2C[C@@H](C)O[C@H](C)C2)o1 ZINC000641727861 430452794 /nfs/dbraw/zinc/45/27/94/430452794.db2.gz XLFUTESTPYYVOK-ZIAGYGMSSA-N 2 0 312.479 2.981 20 0 DFADRP C[C@@H](NCC[N@@H+]1CC[C@@H](C)C1)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000548155710 430453208 /nfs/dbraw/zinc/45/32/08/430453208.db2.gz CIFXJNPMUVZGDX-QWFCFKBJSA-N 2 0 315.505 2.828 20 0 DFADRP C[N@@H+]1CCC[C@H](CNCc2ccncc2N)[C@H]1c1cccs1 ZINC000641728838 430454040 /nfs/dbraw/zinc/45/40/40/430454040.db2.gz ILARLURPKHGJGL-PBHICJAKSA-N 2 0 316.474 2.898 20 0 DFADRP CCC1([NH+]2CCCC2)CCN(C(=O)[C@H]2CCCC[C@]2(C)[NH3+])CC1 ZINC000638862373 430459799 /nfs/dbraw/zinc/45/97/99/430459799.db2.gz UIKMYVHLXBSRRN-AEFFLSMTSA-N 2 0 321.509 2.761 20 0 DFADRP CCOC(=O)C1(C)CCC([NH2+]C[C@@H]2CC[N@@H+](C(C)C)C2)CC1 ZINC000569507124 430461587 /nfs/dbraw/zinc/46/15/87/430461587.db2.gz BITSWJTWNDQLTH-HJOIGYKYSA-N 2 0 310.482 2.818 20 0 DFADRP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@@H](c1ccccc1)C1CCC1 ZINC000641774063 430468919 /nfs/dbraw/zinc/46/89/19/430468919.db2.gz BLBRQHNVQWIVCE-APWZRJJASA-N 2 0 301.478 2.753 20 0 DFADRP Cn1cc([C@H]2C[N@H+](CCC[NH+]3CCCCC3)CC2(C)C)cn1 ZINC000569658262 430473671 /nfs/dbraw/zinc/47/36/71/430473671.db2.gz LUPDIIZMEZQUBZ-QGZVFWFLSA-N 2 0 304.482 2.722 20 0 DFADRP CC1(C)[C@H]([NH2+]CCc2nc(-c3ccc(Cl)cc3)no2)C[C@@H]1[NH3+] ZINC000641802602 430475881 /nfs/dbraw/zinc/47/58/81/430475881.db2.gz NLSFCUANYOTQLO-QWHCGFSZSA-N 2 0 320.824 2.648 20 0 DFADRP CCCN1CCC[C@H]1C[NH2+][C@H](C)CC(=O)N(C)c1ccccc1 ZINC000569680107 430476447 /nfs/dbraw/zinc/47/64/47/430476447.db2.gz XWERFESBYZJTKJ-AEFFLSMTSA-N 2 0 317.477 2.892 20 0 DFADRP CCCc1nc(C)c(C[NH+]2CCC([C@H]3OCCC[C@H]3[NH3+])CC2)o1 ZINC000641799857 430476712 /nfs/dbraw/zinc/47/67/12/430476712.db2.gz RPILREJRNHJBSH-CRAIPNDOSA-N 2 0 321.465 2.654 20 0 DFADRP CCN(C[C@@H]1CCC[N@@H+]1CC)C(=O)c1cccc(C[NH+](C)C)c1 ZINC000548454426 430476841 /nfs/dbraw/zinc/47/68/41/430476841.db2.gz OSONWPKFQILYKT-SFHVURJKSA-N 2 0 317.477 2.695 20 0 DFADRP CC(C)(C)NC(=O)C[NH+]1CCC(C[NH2+][C@@H]2CCCC23CC3)CC1 ZINC000583704908 430422217 /nfs/dbraw/zinc/42/22/17/430422217.db2.gz VTJDZHCFQJDXGN-MRXNPFEDSA-N 2 0 321.509 2.535 20 0 DFADRP CCCc1nc(C)c(C[N@@H+]2CCC[C@H]([C@@H]3C[C@H]([NH3+])CCO3)C2)o1 ZINC000641823619 430483332 /nfs/dbraw/zinc/48/33/32/430483332.db2.gz STXDVZSMBVDLAG-XHSDSOJGSA-N 2 0 321.465 2.654 20 0 DFADRP CC(C)[NH+](CCCC[N@@H+](C(C)C)[C@H]1CCOC1)[C@H]1CCOC1 ZINC000569755222 430483701 /nfs/dbraw/zinc/48/37/01/430483701.db2.gz VQNMWASAHWKYSE-ROUUACIJSA-N 2 0 312.498 2.765 20 0 DFADRP C[C@H]([NH2+][C@@H](C)C(C)(C)n1cncn1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000638969775 430484125 /nfs/dbraw/zinc/48/41/25/430484125.db2.gz IOQLTGDTESUQMR-JYJNAYRXSA-N 2 0 319.497 2.644 20 0 DFADRP CC(C)[C@@H](CNC(=O)C1([NH3+])CCCCC1)[NH+]1CCC(C)CC1 ZINC000236678307 277738761 /nfs/dbraw/zinc/73/87/61/277738761.db2.gz VUJDSGMKVMYDMU-MRXNPFEDSA-N 2 0 309.498 2.521 20 0 DFADRP CCC1([NH+](C)C)CCN(C(=O)C[C@H]2[NH2+]Cc3ccccc32)CC1 ZINC000638981295 430486767 /nfs/dbraw/zinc/48/67/67/430486767.db2.gz QKQUFPYMPIGWHO-QGZVFWFLSA-N 2 0 315.461 2.554 20 0 DFADRP Cc1ccc([C@H](CN[C@H](C)[C@H]2CCC[NH2+]C2)[NH+]2CCCC2)o1 ZINC000569919118 430496800 /nfs/dbraw/zinc/49/68/00/430496800.db2.gz JPMXVZCQDKGYSY-IKGGRYGDSA-N 2 0 305.466 2.703 20 0 DFADRP CC1(C)CCC[C@@H](C[N@@H+]2CCC[C@@H](n3cc(C[NH3+])nn3)C2)C1 ZINC000569909082 430496936 /nfs/dbraw/zinc/49/69/36/430496936.db2.gz LBBXNURFDIONOW-GDBMZVCRSA-N 2 0 305.470 2.590 20 0 DFADRP [NH3+]C[C@@H]1CCN(C(=O)C[C@H]([NH3+])c2ccccc2)c2ccccc21 ZINC000639067652 430510433 /nfs/dbraw/zinc/51/04/33/430510433.db2.gz KFUYZQFCAHSULZ-RDJZCZTQSA-N 2 0 309.413 2.556 20 0 DFADRP [NH3+]C[C@@H]1CCN(C(=O)CC[C@H]([NH3+])c2ccccc2)c2ccccc21 ZINC000639068751 430510639 /nfs/dbraw/zinc/51/06/39/430510639.db2.gz IWJUAOJIYLGKGW-WMZOPIPTSA-N 2 0 323.440 2.946 20 0 DFADRP CCCc1ccc(C[NH2+]CCCC[NH+]2CCN(C)CC2)cc1 ZINC000642342873 430512229 /nfs/dbraw/zinc/51/22/29/430512229.db2.gz BNPLHMWWRMHQDK-UHFFFAOYSA-N 2 0 303.494 2.756 20 0 DFADRP c1cc(CCC[N@@H+]2CC[C@]3(C2)CCC[NH2+]C3)cc2c1OCC2 ZINC000570092971 430513915 /nfs/dbraw/zinc/51/39/15/430513915.db2.gz BZDWEXXQPQHLIK-LJQANCHMSA-N 2 0 300.446 2.630 20 0 DFADRP C[C@@H]([NH2+]CCCC[NH+]1CCN(C)CC1)[C@@H]1C[C@H]1c1ccccc1 ZINC000549143387 430518907 /nfs/dbraw/zinc/51/89/07/430518907.db2.gz GLHWNYVURCFZEQ-HOJAQTOUSA-N 2 0 315.505 2.796 20 0 DFADRP C[C@@H]1C[C@@H](CC[NH2+]Cc2cnccn2)C[N@@H+]1Cc1ccccc1 ZINC000570176983 430522398 /nfs/dbraw/zinc/52/23/98/430522398.db2.gz KHAICYOELRTPLM-SJLPKXTDSA-N 2 0 310.445 2.867 20 0 DFADRP [NH3+][C@H]1CCC[C@@H]([NH2+]CC2(c3ccc(F)cc3)CCOCC2)C1 ZINC000570411066 430541607 /nfs/dbraw/zinc/54/16/07/430541607.db2.gz TWAYQFLYGXXVHM-DLBZAZTESA-N 2 0 306.425 2.733 20 0 DFADRP C[C@H](CCCC(F)(F)F)[NH2+]C1CC[NH+](CC(C)(C)O)CC1 ZINC000639104946 430526115 /nfs/dbraw/zinc/52/61/15/430526115.db2.gz FDLSIFGKGIWZEK-GFCCVEGCSA-N 2 0 310.404 2.932 20 0 DFADRP C[C@@H]1C[C@@H](Nc2cccc3c2OCC[C@H]3[NH+](C)C)CC[N@@H+]1C ZINC000639114627 430529682 /nfs/dbraw/zinc/52/96/82/430529682.db2.gz GMEZFRCLRCFAJY-JKIFEVAISA-N 2 0 303.450 2.966 20 0 DFADRP C[N@H+](CCCO)C1CCN(c2nccc3cc(F)ccc32)CC1 ZINC000570326741 430533539 /nfs/dbraw/zinc/53/35/39/430533539.db2.gz FJFLHOWVIZBXLN-UHFFFAOYSA-N 2 0 317.408 2.657 20 0 DFADRP C[C@@H](N[C@@H](C[NH+]1CCCCC1)c1ccccc1)[C@H]1CCC[NH2+]1 ZINC000643451866 430600795 /nfs/dbraw/zinc/60/07/95/430600795.db2.gz NIMVKBUIBRPPPF-QRQLOZEOSA-N 2 0 301.478 2.944 20 0 DFADRP Cc1ccc(CN(C)[C@H]2CC[N@@H+](C3CCN(C)CC3)C2)c(F)c1 ZINC000639172582 430554124 /nfs/dbraw/zinc/55/41/24/430554124.db2.gz MXBGKKVXASIMMY-SFHVURJKSA-N 2 0 319.468 2.734 20 0 DFADRP CC(C)C1(C[NH+]2CCN(C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)CC1 ZINC000639175267 430556318 /nfs/dbraw/zinc/55/63/18/430556318.db2.gz KMKSISPUNHOMGP-JWTNVVGKSA-N 2 0 305.510 2.665 20 0 DFADRP COc1ccc(COCC[N@@H+]2C[C@H](C[NH3+])[C@@H](C)C[C@@H]2C)cc1 ZINC000643441039 430601117 /nfs/dbraw/zinc/60/11/17/430601117.db2.gz OBLNZWQBNJCDJX-ZOBUZTSGSA-N 2 0 306.450 2.517 20 0 DFADRP CC(C)(C)O[C@@H]1C[C@H]([NH2+][C@H]2CCc3nc[nH]c3C2)C12CCC2 ZINC000639192029 430564138 /nfs/dbraw/zinc/56/41/38/430564138.db2.gz OEDANHCKSZBFOM-VBNZEHGJSA-N 2 0 303.450 2.983 20 0 DFADRP C[C@H](N[C@@H](C[NH+]1CCCCC1)c1ccccc1)[C@@H]1CCC[NH2+]1 ZINC000643451869 430601563 /nfs/dbraw/zinc/60/15/63/430601563.db2.gz NIMVKBUIBRPPPF-WDSOQIARSA-N 2 0 301.478 2.944 20 0 DFADRP COc1cc(C[C@@H](C)[NH2+]CCCCC[NH+]2CCCC2)ccn1 ZINC000639211527 430573530 /nfs/dbraw/zinc/57/35/30/430573530.db2.gz UVXKZXVBFBHKJR-MRXNPFEDSA-N 2 0 305.466 2.877 20 0 DFADRP COc1ccc2[nH]cc(CC[NH2+][C@@H]3CCCC[C@H]3C[NH3+])c2c1 ZINC000643453949 430602571 /nfs/dbraw/zinc/60/25/71/430602571.db2.gz NKGFZJYWRDKQTO-SUMWQHHRSA-N 2 0 301.434 2.826 20 0 DFADRP C[C@@H](CN[C@H]1CC[N@H+](C2CC2)[C@@H](c2ccccc2)C1)[NH+](C)C ZINC000639233939 430581592 /nfs/dbraw/zinc/58/15/92/430581592.db2.gz YZRAWBIDCTYJJM-VDZJLULYSA-N 2 0 301.478 2.894 20 0 DFADRP C[NH+](C)CCCCC(=O)Nc1ccc(CC[NH+]2CCCC2)cc1 ZINC000552118323 430585256 /nfs/dbraw/zinc/58/52/56/430585256.db2.gz CECWTZZQZZCVFM-UHFFFAOYSA-N 2 0 317.477 2.995 20 0 DFADRP COc1ccc2[nH]cc(CC[NH2+][C@H]3CCCC[C@H]3C[NH3+])c2c1 ZINC000643453948 430602082 /nfs/dbraw/zinc/60/20/82/430602082.db2.gz NKGFZJYWRDKQTO-GUYCJALGSA-N 2 0 301.434 2.826 20 0 DFADRP COc1cc(C[NH2+]CC[C@@H]2CCC[N@H+](C)C2)c(Cl)cc1O ZINC000639257765 430589225 /nfs/dbraw/zinc/58/92/25/430589225.db2.gz RFAVDHADBNJAQL-LBPRGKRZSA-N 2 0 312.841 2.876 20 0 DFADRP C[C@@H]1CCCC[N@@H+]1CCC1CCN(C(=O)[C@H]2CCCC[NH2+]2)CC1 ZINC000570931099 430590447 /nfs/dbraw/zinc/59/04/47/430590447.db2.gz DDNYHRYQDZRNLZ-SJLPKXTDSA-N 2 0 321.509 2.632 20 0 DFADRP CC[C@@H](C[NH2+]C1CC[NH+](CC(C)(C)O)CC1)CC(F)(F)F ZINC000639266438 430592804 /nfs/dbraw/zinc/59/28/04/430592804.db2.gz YQFRNOSZIMWTPV-GFCCVEGCSA-N 2 0 310.404 2.790 20 0 DFADRP COc1cccc2c1OC[C@H]([NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1)C2 ZINC000643451969 430602363 /nfs/dbraw/zinc/60/23/63/430602363.db2.gz GEEKFZRNZBQJCJ-WCXIOVBPSA-N 2 0 316.445 2.509 20 0 DFADRP Cc1ccc(C[NH2+]CCCC[N@@H+]2CCC[C@@H]2CO)c(Cl)c1 ZINC000570454670 430544684 /nfs/dbraw/zinc/54/46/84/430544684.db2.gz OFSAZLNTZCYSKF-MRXNPFEDSA-N 2 0 310.869 2.975 20 0 DFADRP CC1=CC[C@H]([NH2+]CCN2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000550887129 430547235 /nfs/dbraw/zinc/54/72/35/430547235.db2.gz OCUJENCSIBWMOI-FQEVSTJZSA-N 2 0 313.489 2.893 20 0 DFADRP Cc1nccn1[C@H]1CCCN(Cc2nc(C3CCC3)no2)C1 ZINC000639481013 430649791 /nfs/dbraw/zinc/64/97/91/430649791.db2.gz LAMLTKLXTACCIK-AWEZNQCLSA-N 2 0 301.394 2.679 20 0 DFADRP O[C@H]1CC[N@H+](Cc2ccccc2C[NH2+][C@H]2CCC[C@H]3C[C@H]32)C1 ZINC000554714543 430649861 /nfs/dbraw/zinc/64/98/61/430649861.db2.gz BYWKFWWZUNOURA-FZDIXFNVSA-N 2 0 300.446 2.531 20 0 DFADRP Cc1ccnc(NC[C@@H]2CC[N@H+](C[C@@H]3CC(C)(C)CO3)C2)c1 ZINC000639483275 430652231 /nfs/dbraw/zinc/65/22/31/430652231.db2.gz RRADAYVMERISTM-HOTGVXAUSA-N 2 0 303.450 2.939 20 0 DFADRP Cc1cc(C[N@@H+](C)CCCN(C)CC[NH+](C)C)ccc1Cl ZINC000554890371 430655526 /nfs/dbraw/zinc/65/55/26/430655526.db2.gz XEFKDRXQZIFWBF-UHFFFAOYSA-N 2 0 311.901 2.964 20 0 DFADRP CCC[N@H+](C)C[C@@H]1CC[NH+](Cc2cccc3c2CCOC3)C1 ZINC000639504663 430657706 /nfs/dbraw/zinc/65/77/06/430657706.db2.gz AGUUMRWDWKCUNH-INIZCTEOSA-N 2 0 302.462 2.923 20 0 DFADRP Fc1ccc(N2CC[C@H](C[NH2+]C3C[C@H]4CC[C@@H](C3)[NH2+]4)C2)cc1F ZINC000643453058 430602743 /nfs/dbraw/zinc/60/27/43/430602743.db2.gz FLORCAKHEXWREI-JKXDFHQYSA-N 2 0 321.415 2.664 20 0 DFADRP COc1ccc2[nH]cc(CC[NH2+][C@@H](C)[C@@H]3CCCC[NH2+]3)c2c1 ZINC000643453659 430603218 /nfs/dbraw/zinc/60/32/18/430603218.db2.gz PWYKEMIXEOYVPD-GUYCJALGSA-N 2 0 301.434 2.839 20 0 DFADRP C[C@@H](C[C@H]1CCCCC[NH2+]1)[NH2+]C1CCN(CC(F)F)CC1 ZINC000643460033 430603842 /nfs/dbraw/zinc/60/38/42/430603842.db2.gz NCLWLPATTUMFFX-DZGCQCFKSA-N 2 0 303.441 2.616 20 0 DFADRP C[C@H]([NH2+]Cc1cccc(OCc2ccccn2)c1)[C@@H]1CC[NH2+]C1 ZINC000643462193 430604582 /nfs/dbraw/zinc/60/45/82/430604582.db2.gz BJFXVWIAWFPMLM-DOTOQJQBSA-N 2 0 311.429 2.748 20 0 DFADRP C[C@@H]1C[C@@H]([NH2+]CC2CC[NH+](Cc3ccncc3)CC2)CS1 ZINC000639312209 430606136 /nfs/dbraw/zinc/60/61/36/430606136.db2.gz SWKCKDCINCFSAX-RHSMWYFYSA-N 2 0 305.491 2.777 20 0 DFADRP c1nn(-c2cc[nH+]cc2)cc1N[C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1 ZINC000643469443 430606182 /nfs/dbraw/zinc/60/61/82/430606182.db2.gz VTGFLZBTGHOIMX-RCCFBDPRSA-N 2 0 311.433 2.990 20 0 DFADRP CC(C)[C@H](C[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1)c1ccnn1C ZINC000643484292 430607674 /nfs/dbraw/zinc/60/76/74/430607674.db2.gz PXPKCWYBOBWOFK-YYIAUSFCSA-N 2 0 304.482 2.670 20 0 DFADRP c1ccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@H](NC[C@@H]2CCCC[NH2+]2)C3)cc1 ZINC000643501546 430609587 /nfs/dbraw/zinc/60/95/87/430609587.db2.gz KEPMNBFZRASDOG-LWYYNNOASA-N 2 0 313.489 2.914 20 0 DFADRP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000643500318 430609732 /nfs/dbraw/zinc/60/97/32/430609732.db2.gz CDIFWYZQTSVHOP-YXQSOJMXSA-N 2 0 313.445 2.850 20 0 DFADRP C[C@@H]([NH2+]Cc1ccc([C@H](C)[NH3+])cc1)c1cccc(-n2cnnn2)c1 ZINC000643513900 430611869 /nfs/dbraw/zinc/61/18/69/430611869.db2.gz IUWRRSIVZXUCNZ-UONOGXRCSA-N 2 0 322.416 2.533 20 0 DFADRP C[C@H]([NH2+][C@H]1CC12CC[NH2+]CC2)c1ccc2c(c1)OCCCO2 ZINC000643534578 430612545 /nfs/dbraw/zinc/61/25/45/430612545.db2.gz YETOLILBMDTYBI-GUYCJALGSA-N 2 0 302.418 2.641 20 0 DFADRP CC(=O)Nc1cccc([C@@H](C)[NH2+][C@@H]2C[C@H]2C2CC[NH2+]CC2)c1 ZINC000643532936 430612960 /nfs/dbraw/zinc/61/29/60/430612960.db2.gz BEFBVBUDZLBFLV-OCBCSQNSSA-N 2 0 301.434 2.684 20 0 DFADRP C[C@@H]([NH2+]C1CC[NH+](CC(C)(C)O)CC1)C1CCC(F)CC1 ZINC000639330486 430612995 /nfs/dbraw/zinc/61/29/95/430612995.db2.gz OQKFMJPYQZTSEF-WLYUNCDWSA-N 2 0 300.462 2.728 20 0 DFADRP O=C1Nc2ccccc2C12CCC([NH2+][C@@H]1CCC[NH2+]CC1)CC2 ZINC000643522651 430613612 /nfs/dbraw/zinc/61/36/12/430613612.db2.gz QWPIZKFAVZCAEF-TZGCNFNXSA-N 2 0 313.445 2.551 20 0 DFADRP C[C@H]([NH2+]C[C@H]1CC[C@H](C[NH3+])CC1)c1ccc2c(c1)CCC(=O)N2 ZINC000643532335 430613627 /nfs/dbraw/zinc/61/36/27/430613627.db2.gz CXJZTXWIPUTHNB-KKUMJFAQSA-N 2 0 315.461 2.987 20 0 DFADRP C[C@H]([NH2+][C@H]1CC12CC[NH2+]CC2)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000643536296 430613915 /nfs/dbraw/zinc/61/39/15/430613915.db2.gz SQINPVWTJTZGGZ-LRDDRELGSA-N 2 0 313.445 2.709 20 0 DFADRP Cn1nccc1[C@@H]1CCC[C@@H]([NH2+][C@@H]2CC[NH2+]C3(CCC3)C2)C1 ZINC000643548563 430615272 /nfs/dbraw/zinc/61/52/72/430615272.db2.gz RDEMOTSQEGDSOF-BZUAXINKSA-N 2 0 302.466 2.711 20 0 DFADRP Cn1nccc1[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[NH2+]C3(CCC3)C2)C1 ZINC000643548565 430615337 /nfs/dbraw/zinc/61/53/37/430615337.db2.gz RDEMOTSQEGDSOF-OWCLPIDISA-N 2 0 302.466 2.711 20 0 DFADRP Cc1nn(C(C)(C)C)cc1[C@H](C)[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000643548002 430615782 /nfs/dbraw/zinc/61/57/82/430615782.db2.gz JJMBOPXCPXQZLL-QCEMKRCNSA-N 2 0 304.482 2.985 20 0 DFADRP Cc1cccc(NC(=O)C[C@@H](C)[NH2+][C@H]2CC[NH2+]C3(CCC3)C2)c1 ZINC000643546852 430615892 /nfs/dbraw/zinc/61/58/92/430615892.db2.gz VWHSGNCDPRQBMS-WBVHZDCISA-N 2 0 315.461 2.976 20 0 DFADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C[NH2+][C@@H]1CO[C@H](C2CC2)C1 ZINC000639360401 430619492 /nfs/dbraw/zinc/61/94/92/430619492.db2.gz WYHXCCXIYMBZTN-TTYHFUOFSA-N 2 0 314.473 2.912 20 0 DFADRP C[C@H](CCc1ccc(F)cc1)[NH2+][C@@H]1CCC[C@@H]1N1CC[C@@H](O)C1 ZINC000639369964 430622770 /nfs/dbraw/zinc/62/27/70/430622770.db2.gz BIMNVIQAWFEJEY-AXUOBQJMSA-N 2 0 320.452 2.724 20 0 DFADRP Cc1cccc2[nH]c(C[NH2+][C@@H]3CCC[C@@H]3N3CC[C@H](O)C3)cc21 ZINC000639373801 430624231 /nfs/dbraw/zinc/62/42/31/430624231.db2.gz VOZZFNQXNBJJOZ-IPELMVKDSA-N 2 0 313.445 2.554 20 0 DFADRP Cc1cc(C2CC[NH+](Cc3ccc4c(c3)C[NH2+]CC4)CC2)[nH]n1 ZINC000571453501 430628410 /nfs/dbraw/zinc/62/84/10/430628410.db2.gz URAWVDVTODRILF-UHFFFAOYSA-N 2 0 310.445 2.743 20 0 DFADRP C[C@H]1C[C@@H]([NH2+]Cc2ccc(C[NH3+])cc2)CN1Cc1ccccc1 ZINC000571563309 430636915 /nfs/dbraw/zinc/63/69/15/430636915.db2.gz YEISWZBATHRCGC-OXJNMPFZSA-N 2 0 309.457 2.898 20 0 DFADRP C[C@@H]1CC2(C[N@@H+]1Cc1nc3c(s1)CCCC3)CC[NH2+]CC2 ZINC000643973763 430645598 /nfs/dbraw/zinc/64/55/98/430645598.db2.gz HHVIMDGUWNCPSR-CYBMUJFWSA-N 2 0 305.491 2.986 20 0 DFADRP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+]Cc1cc(C)nc(C)c1 ZINC000571990817 430665641 /nfs/dbraw/zinc/66/56/41/430665641.db2.gz SVHHEKZOCLHFLJ-UHFFFAOYSA-N 2 0 307.401 2.877 20 0 DFADRP C[C@H](c1ccccc1)[C@H](O)C[NH2+]C1CC[NH+](C2CCC2)CC1 ZINC000572028539 430668317 /nfs/dbraw/zinc/66/83/17/430668317.db2.gz BYFUNOUUMYEXDM-DNVCBOLYSA-N 2 0 302.462 2.758 20 0 DFADRP C[C@H]([NH2+][C@@H]1CCCN(Cc2ccccc2)C1)[C@@H]1CCC[NH2+]C1 ZINC000572257766 430678388 /nfs/dbraw/zinc/67/83/88/430678388.db2.gz QIFDNGALBSHFFO-QXAKKESOSA-N 2 0 301.478 2.629 20 0 DFADRP C[C@@H](NC(=O)[C@H](C)N1CCC[C@H]([NH+](C)C)CC1)c1ccccc1 ZINC000639613754 430681168 /nfs/dbraw/zinc/68/11/68/430681168.db2.gz WAEJITYEYNYLBF-RYRKJORJSA-N 2 0 317.477 2.668 20 0 DFADRP Cc1ncsc1CN(C)C[C@@H]1CC[N@@H+](C[C@@H]2CCO[C@H]2C)C1 ZINC000639614792 430681755 /nfs/dbraw/zinc/68/17/55/430681755.db2.gz HCHIBZLHZZWUHZ-JYJNAYRXSA-N 2 0 323.506 2.630 20 0 DFADRP COc1cccc2c1CC[C@H]2[NH2+]CCC[N@@H+]1CCCO[C@H](C)C1 ZINC000278526628 278036206 /nfs/dbraw/zinc/03/62/06/278036206.db2.gz NEJSMZKBLKXMGE-CRAIPNDOSA-N 2 0 318.461 2.773 20 0 DFADRP C[C@H]1C[N@H+](C)CC[C@H]1N(C)Cc1cnc(-c2ccncc2)s1 ZINC000572409202 430686148 /nfs/dbraw/zinc/68/61/48/430686148.db2.gz CDTXEMALVIVJGE-XJKSGUPXSA-N 2 0 316.474 2.977 20 0 DFADRP Cc1ccc(C[N@@H+]2CC[C@]3(C2)CCC[NH2+]C3)c(-c2ccnn2C)c1 ZINC000572483317 430688596 /nfs/dbraw/zinc/68/85/96/430688596.db2.gz YTJTYSARDBVPBE-HXUWFJFHSA-N 2 0 324.472 2.971 20 0 DFADRP CC(C)n1ncc2cc(C[NH2+]C3CCC([NH+](C)C)CC3)cnc21 ZINC000353641013 278149375 /nfs/dbraw/zinc/14/93/75/278149375.db2.gz DTCMGMXYSWRRQE-UHFFFAOYSA-N 2 0 315.465 2.975 20 0 DFADRP C[N@@H+]1CC[C@@H](C(=O)Nc2cccc(-c3ncc4n3CCCC4)c2)C1 ZINC000556754432 430691639 /nfs/dbraw/zinc/69/16/39/430691639.db2.gz QHYJGLHRJFTLCL-OAHLLOKOSA-N 2 0 324.428 2.777 20 0 DFADRP C[C@H](C[NH2+]CCCC[N@@H+]1CCC[C@H]1CO)Cc1ccccc1 ZINC000249459209 278208229 /nfs/dbraw/zinc/20/82/29/278208229.db2.gz QJKHCNMMJLSEMN-HKUYNNGSSA-N 2 0 304.478 2.692 20 0 DFADRP C[C@H](C[NH2+][C@@H](C)C(C)(C)c1ccccc1)CN1CC[NH+](C)CC1 ZINC000120810131 278208632 /nfs/dbraw/zinc/20/86/32/278208632.db2.gz GQYQDBKWFUVWAI-MSOLQXFVSA-N 2 0 317.521 2.826 20 0 DFADRP C[C@H](C[NH2+][C@@H](C)c1cc2ccccc2o1)N1CC[NH+](C)CC1 ZINC000127799752 278208946 /nfs/dbraw/zinc/20/89/46/278208946.db2.gz YZHRLAZQVMVHNC-CABCVRRESA-N 2 0 301.434 2.719 20 0 DFADRP C[C@@H](CN1CC[NH+](C)CC1)[NH2+][C@@H](C)c1cc2c(s1)CCC2 ZINC000155018607 278260909 /nfs/dbraw/zinc/26/09/09/278260909.db2.gz PHRRZCRNXSIJAN-KBPBESRZSA-N 2 0 307.507 2.523 20 0 DFADRP Cc1ccccc1NC(=O)C[C@H](C)[NH2+]CCN1CC=C(C)CC1 ZINC000572690539 430694104 /nfs/dbraw/zinc/69/41/04/430694104.db2.gz PIDINFDAEXSPJE-KRWDZBQOSA-N 2 0 315.461 2.954 20 0 DFADRP C[C@@H](C[NH2+][C@@H]1CC(C)(C)c2ccccc21)CN1CC[NH+](C)CC1 ZINC000178691224 278284713 /nfs/dbraw/zinc/28/47/13/278284713.db2.gz FYVROCAAIODWNP-QFBILLFUSA-N 2 0 315.505 2.882 20 0 DFADRP C[C@@H](C[NH2+][C@H]1CCCc2sccc21)CN1CC[NH+](C)CC1 ZINC000120996296 278286848 /nfs/dbraw/zinc/28/68/48/278286848.db2.gz JZIVZMHYSYKZPC-HOCLYGCPSA-N 2 0 307.507 2.599 20 0 DFADRP C[C@@H]([NH2+]CCCC[NH+](C)C)c1ncc(Br)cc1F ZINC000275283284 278343625 /nfs/dbraw/zinc/34/36/25/278343625.db2.gz FGLRCRUTYFRXEL-SNVBAGLBSA-N 2 0 318.234 2.976 20 0 DFADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+]Cc1ncc(C(F)(F)F)s1 ZINC000572970107 430698766 /nfs/dbraw/zinc/69/87/66/430698766.db2.gz OSVWLGNQWHJPNR-AYBYRNOTSA-N 2 0 305.369 2.767 20 0 DFADRP [NH3+][C@@H](CCC(=O)N1CC[NH2+]C[C@H]1c1ccccc1)c1ccccc1 ZINC000572976469 430698842 /nfs/dbraw/zinc/69/88/42/430698842.db2.gz VZYIRXBFDVEFTF-OALUTQOASA-N 2 0 323.440 2.640 20 0 DFADRP COc1cc(C)c(C[NH2+]Cc2ccc(C[NH3+])cc2)cc1OC ZINC000573000877 430699288 /nfs/dbraw/zinc/69/92/88/430699288.db2.gz WRQXVXWGGYXFBC-UHFFFAOYSA-N 2 0 300.402 2.761 20 0 DFADRP CC1(C)C[C@H]([NH2+]CC2CC[NH+](CCO)CC2)c2ccccc21 ZINC000177880296 278388377 /nfs/dbraw/zinc/38/83/77/278388377.db2.gz UHNFCXAGICEHAX-SFHVURJKSA-N 2 0 302.462 2.703 20 0 DFADRP [NH3+][C@@H](CCC(=O)N[C@@H]1CC[NH2+]C12CCCC2)CC1CCCCC1 ZINC000648211682 430714087 /nfs/dbraw/zinc/71/40/87/430714087.db2.gz YAUGKTRFKZIFBX-DLBZAZTESA-N 2 0 321.509 2.855 20 0 DFADRP C[NH+](C)CCC[C@H]1CN(c2cc[nH+]c3cc(F)ccc32)CCO1 ZINC000664655177 430716412 /nfs/dbraw/zinc/71/64/12/430716412.db2.gz ZYDGMJCRCAJAJO-HNNXBMFYSA-N 2 0 317.408 2.921 20 0 DFADRP C/C(=C/c1ccccc1)C[NH2+]C1CCN([C@H]2CCOC2)CC1 ZINC000657750995 430725925 /nfs/dbraw/zinc/72/59/25/430725925.db2.gz MOGMRFPLRWXLDA-AGWAZZAUSA-N 2 0 300.446 2.933 20 0 DFADRP c1cc2n(n1)CCC[C@@H]2[NH2+]C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000657997274 430782669 /nfs/dbraw/zinc/78/26/69/430782669.db2.gz ARMLHABBUZKWIM-MSOLQXFVSA-N 2 0 310.445 2.830 20 0 DFADRP c1ccc(C[N@H+]2C[C@H](C[NH2+][C@@H]3CCOC3)C3(CCC3)C2)cc1 ZINC000657773383 430731090 /nfs/dbraw/zinc/73/10/90/430731090.db2.gz RDABJMFOUUBHTD-ZWKOTPCHSA-N 2 0 300.446 2.667 20 0 DFADRP Cn1cncc1C[NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CC12CCC2 ZINC000657772033 430732603 /nfs/dbraw/zinc/73/26/03/430732603.db2.gz IXRJKQIIHODIIK-SFHVURJKSA-N 2 0 324.472 2.812 20 0 DFADRP Fc1ccc2c(c1)C[C@@H]1[C@H]([NH2+]Cc3ccnn3-c3cc[nH+]cc3)[C@H]21 ZINC000657788354 430734870 /nfs/dbraw/zinc/73/48/70/430734870.db2.gz JFRPGWBSNCOTML-OTWHNJEPSA-N 2 0 320.371 2.834 20 0 DFADRP C[C@@H](Cc1cnccn1)[NH2+]C1CC[NH+](CC2CCCC2)CC1 ZINC000651210947 430738042 /nfs/dbraw/zinc/73/80/42/430738042.db2.gz GQBUQIIEEUNOEJ-HNNXBMFYSA-N 2 0 302.466 2.652 20 0 DFADRP Cc1cc([C@H](C)[NH2+][C@H]2CCN(C3CC[NH+](C)CC3)C2)cs1 ZINC000651228230 430743403 /nfs/dbraw/zinc/74/34/03/430743403.db2.gz AVVYJOJQABRPKW-HOCLYGCPSA-N 2 0 307.507 2.876 20 0 DFADRP CC[N@H+](C)Cc1cccc(C[NH2+]C[C@@H](O)Cc2ccccc2)c1 ZINC000644527131 430743518 /nfs/dbraw/zinc/74/35/18/430743518.db2.gz OGTRLBQJHZQZEV-FQEVSTJZSA-N 2 0 312.457 2.832 20 0 DFADRP O=C(CC[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1)Nc1cc(F)cc(F)c1 ZINC000644524080 430743877 /nfs/dbraw/zinc/74/38/77/430743877.db2.gz PRBVLYBVXGKKHT-GOEBONIOSA-N 2 0 323.387 2.510 20 0 DFADRP Cc1nccn1C[C@H](C)C[NH2+]CCC(=O)Nc1ccccc1F ZINC000644525352 430743906 /nfs/dbraw/zinc/74/39/06/430743906.db2.gz VCEMMXMRBRZJLV-CYBMUJFWSA-N 2 0 318.396 2.585 20 0 DFADRP O[C@H](C[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1)Cc1ccc2ccccc2c1 ZINC000644524041 430744252 /nfs/dbraw/zinc/74/42/52/430744252.db2.gz NAWQVCIIIRSMRM-NJYVYQBISA-N 2 0 324.468 2.960 20 0 DFADRP COC[C@H](CC1CCOCC1)[NH2+]Cc1cccc(C[NH+](C)C)c1 ZINC000657828269 430745331 /nfs/dbraw/zinc/74/53/31/430745331.db2.gz RDLNAQQRUMSQFV-IBGZPJMESA-N 2 0 320.477 2.670 20 0 DFADRP CN1CCC[C@H]([NH2+][C@@H](C[C@@H]2CCOC2)c2ccc(F)cc2)C1 ZINC000644533905 430746075 /nfs/dbraw/zinc/74/60/75/430746075.db2.gz PJYYCRNFPOKNLW-WBAXXEDZSA-N 2 0 306.425 2.977 20 0 DFADRP CC[C@H]1C[C@H]([NH2+]Cc2ccc(OCC[NH+](C)C)cc2)CCO1 ZINC000648427710 430783272 /nfs/dbraw/zinc/78/32/72/430783272.db2.gz OQAMPUBBCFHZBJ-SJORKVTESA-N 2 0 306.450 2.674 20 0 DFADRP CC[NH+]1CCN([C@@H](C)C[NH2+][C@H](C)c2cc3cnccc3o2)CC1 ZINC000657835284 430750779 /nfs/dbraw/zinc/75/07/79/430750779.db2.gz FCPFJHSIMSTILX-LSDHHAIUSA-N 2 0 316.449 2.504 20 0 DFADRP C[C@H]([NH2+]C[C@@H](O)CN1CCCCC1)c1cc2ccncc2s1 ZINC000657846698 430752274 /nfs/dbraw/zinc/75/22/74/430752274.db2.gz PRFJXIUDUXTEDT-DZGCQCFKSA-N 2 0 319.474 2.794 20 0 DFADRP C[C@H]([NH2+]C[C@H](O)Cc1cccc(Cl)c1)C1CC[NH+](C)CC1 ZINC000644563063 430754886 /nfs/dbraw/zinc/75/48/86/430754886.db2.gz KFEHEMYMSVEJLH-SUMWQHHRSA-N 2 0 310.869 2.563 20 0 DFADRP CC[C@@H](O)C[NH2+]Cc1ccccc1C[N@H+](C)Cc1ccco1 ZINC000644573761 430756288 /nfs/dbraw/zinc/75/62/88/430756288.db2.gz FZXPVKJFTMGMQF-QGZVFWFLSA-N 2 0 302.418 2.772 20 0 DFADRP CC[C@H](Cc1ccc(Cl)cc1)[NH2+]C[C@H](C)N1CC[NH+](C)CC1 ZINC000657872354 430757878 /nfs/dbraw/zinc/75/78/78/430757878.db2.gz NGHVCJKNKMAJMU-MAUKXSAKSA-N 2 0 323.912 2.887 20 0 DFADRP CC[NH+]1CCC(CC[NH2+]C[C@H](O)[C@H](C)c2ccccc2)CC1 ZINC000644576578 430758052 /nfs/dbraw/zinc/75/80/52/430758052.db2.gz AZRNORQHJPHZIC-APWZRJJASA-N 2 0 304.478 2.863 20 0 DFADRP CN(C)C[C@H](O)C[NH2+][C@@H]1CCCC[C@H]1c1ccccc1Cl ZINC000657875776 430758590 /nfs/dbraw/zinc/75/85/90/430758590.db2.gz PFUWANAHESPXNT-UKPHBRMFSA-N 2 0 310.869 2.878 20 0 DFADRP COC[C@@H](CC1CCOCC1)[NH2+][C@@H](CC[NH+](C)C)C(C)(C)C ZINC000657886147 430761610 /nfs/dbraw/zinc/76/16/10/430761610.db2.gz HKWDIPFJKRMSDP-SJORKVTESA-N 2 0 314.514 2.774 20 0 DFADRP C[NH+](C)CC1CCC([NH2+]CCC(=O)Nc2ccccc2F)CC1 ZINC000644606542 430767008 /nfs/dbraw/zinc/76/70/08/430767008.db2.gz OOYPLOWPPJOFGO-UHFFFAOYSA-N 2 0 321.440 2.864 20 0 DFADRP C[C@@H]1C[N@@H+](CCCC[NH2+][C@H]2CCCSCC2)C[C@H](C)O1 ZINC000657918550 430767581 /nfs/dbraw/zinc/76/75/81/430767581.db2.gz DXIYIGPEVWMOEZ-XHSDSOJGSA-N 2 0 300.512 2.751 20 0 DFADRP CN(Cc1ccccc1)C[C@H](O)C[NH2+][C@H]1CCCC(F)(F)C1 ZINC000644602136 430767727 /nfs/dbraw/zinc/76/77/27/430767727.db2.gz KBNWCCFTRGWOMC-JKSUJKDBSA-N 2 0 312.404 2.647 20 0 DFADRP C[C@H]([NH2+]C1CC[NH+]([C@H]2CCC[C@H]2O)CC1)C(C)(C)C(F)F ZINC000657925975 430769525 /nfs/dbraw/zinc/76/95/25/430769525.db2.gz QJEWDHFMJFURKG-FPMFFAJLSA-N 2 0 304.425 2.634 20 0 DFADRP O[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+][C@@H]2CCCSCC2)CC1 ZINC000657930521 430771609 /nfs/dbraw/zinc/77/16/09/430771609.db2.gz XXKNNWBDTWOFDI-DJIMGWMZSA-N 2 0 312.523 2.630 20 0 DFADRP Cc1cc2ncn(C[C@H](O)CN[C@@H]3CCCC3(F)F)c2cc1C ZINC000644647520 430778909 /nfs/dbraw/zinc/77/89/09/430778909.db2.gz BEJDBEZLMDQXNR-CZUORRHYSA-N 2 0 323.387 2.791 20 0 DFADRP C[C@@H](CN(C)CCC[NH+](C)C)[NH2+][C@@H](C)c1ccc(F)c(F)c1 ZINC000658109149 430815295 /nfs/dbraw/zinc/81/52/95/430815295.db2.gz REICFBJXFYMTBS-KBPBESRZSA-N 2 0 313.436 2.887 20 0 DFADRP O[C@@H]1CC[N@H+](Cc2ccc(C[NH2+][C@H]3CCC[C@@H]3CCF)cc2)C1 ZINC000658134932 430820346 /nfs/dbraw/zinc/82/03/46/430820346.db2.gz CFNAYMITCUVYDN-QRVBRYPASA-N 2 0 320.452 2.871 20 0 DFADRP O[C@H]1CC[N@H+](Cc2ccc(C[NH2+]C(C3CC3)C3CC3)cc2)C1 ZINC000658140288 430822182 /nfs/dbraw/zinc/82/21/82/430822182.db2.gz PLUSYSPCRQBKEQ-SFHVURJKSA-N 2 0 300.446 2.531 20 0 DFADRP CCCC[C@H](COC)[NH2+]Cc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1 ZINC000658138559 430822266 /nfs/dbraw/zinc/82/22/66/430822266.db2.gz JJWAYDRCSTURHE-MOPGFXCFSA-N 2 0 320.477 2.548 20 0 DFADRP CC1(C)CC[C@H]([NH2+]Cc2ccc(C[N@@H+]3CC[C@H](O)C3)cc2)C1 ZINC000658136628 430822369 /nfs/dbraw/zinc/82/23/69/430822369.db2.gz HNZGVVQAMZWOAW-ROUUACIJSA-N 2 0 302.462 2.922 20 0 DFADRP C[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1 ZINC000658142856 430823267 /nfs/dbraw/zinc/82/32/67/430823267.db2.gz FCAHAWYLZRYZJP-ATZDWAIDSA-N 2 0 302.462 2.922 20 0 DFADRP O[C@@H]1CC[N@H+](Cc2ccc(C[NH2+][C@H](C3CC3)C3CCC3)cc2)C1 ZINC000658139846 430823932 /nfs/dbraw/zinc/82/39/32/430823932.db2.gz TTWZTYNXAZIKJQ-UXHICEINSA-N 2 0 314.473 2.922 20 0 DFADRP C[C@@H](CC1CCC1)[NH2+]Cc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1 ZINC000658141586 430824139 /nfs/dbraw/zinc/82/41/39/430824139.db2.gz SMBSHPWQXPMMCP-KXBFYZLASA-N 2 0 302.462 2.922 20 0 DFADRP C[C@H]([NH2+][C@@H](C)C1(CO)CC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000658155320 430825020 /nfs/dbraw/zinc/82/50/20/430825020.db2.gz OZVSITDBYQUKQQ-BQFCYCMXSA-N 2 0 302.462 2.648 20 0 DFADRP C[C@@H]([NH2+][C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1)C1(CO)CC1 ZINC000658155321 430825621 /nfs/dbraw/zinc/82/56/21/430825621.db2.gz OZVSITDBYQUKQQ-JZXOWHBKSA-N 2 0 302.462 2.648 20 0 DFADRP C[C@@H]([NH2+]C1CC[NH+]([C@@H](C)Cc2ccccc2)CC1)C1(CO)CC1 ZINC000658156554 430827961 /nfs/dbraw/zinc/82/79/61/430827961.db2.gz VOUQDXPTCUFCIY-DLBZAZTESA-N 2 0 316.489 2.833 20 0 DFADRP C[C@@H]1CC[C@H](C[NH2+]Cc2ccc(OCC[NH+]3CCCC3)cc2)O1 ZINC000651620990 430833122 /nfs/dbraw/zinc/83/31/22/430833122.db2.gz JYPKTNZSKXXMRB-VQIMIIECSA-N 2 0 318.461 2.818 20 0 DFADRP CO[C@@H](C)C[NH2+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000658170737 430833822 /nfs/dbraw/zinc/83/38/22/430833822.db2.gz NMUYFVYVFBWATI-JCHJZTRSSA-N 2 0 302.462 2.912 20 0 DFADRP COC[C@H](CC(C)C)[NH2+]CC1CC[NH+](Cc2ccncc2)CC1 ZINC000658168386 430833868 /nfs/dbraw/zinc/83/38/68/430833868.db2.gz WQIPODHPGPSJCY-IBGZPJMESA-N 2 0 319.493 2.944 20 0 DFADRP CO[C@@H](C)C[NH2+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000658170738 430834613 /nfs/dbraw/zinc/83/46/13/430834613.db2.gz NMUYFVYVFBWATI-WZGPROSRSA-N 2 0 302.462 2.912 20 0 DFADRP C[C@@H](Cc1ccccc1)[NH+]1CCC(N[C@@H]2CCC[N@H+](C)C2)CC1 ZINC000648432551 430784549 /nfs/dbraw/zinc/78/45/49/430784549.db2.gz XDAWZWKJCQOMCQ-FXAWDEMLSA-N 2 0 315.505 2.766 20 0 DFADRP CC(C)(C)CC(C)(C)[NH+]1CCC([NH2+]CCCn2cncn2)CC1 ZINC000648446137 430790910 /nfs/dbraw/zinc/79/09/10/430790910.db2.gz BHKOTFWPCJOZSH-UHFFFAOYSA-N 2 0 321.513 2.937 20 0 DFADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CCC2CC(OC)C2)[C@H](C)C1 ZINC000658054843 430796201 /nfs/dbraw/zinc/79/62/01/430796201.db2.gz FEDKXPMSVPDEGH-AQEOSJORSA-N 2 0 312.498 2.528 20 0 DFADRP C[C@H]([NH2+]CC1CC[NH+](C2CCOCC2)CC1)c1ccccn1 ZINC000658067943 430797179 /nfs/dbraw/zinc/79/71/79/430797179.db2.gz SNNSMMLKSCYGJT-HNNXBMFYSA-N 2 0 303.450 2.623 20 0 DFADRP FCC[C@@H]1CCC[C@H]1[NH2+]CC1CC[NH+](C2CCOCC2)CC1 ZINC000658070059 430798271 /nfs/dbraw/zinc/79/82/71/430798271.db2.gz KMURSFAUHUJVJJ-FUHWJXTLSA-N 2 0 312.473 2.995 20 0 DFADRP COC[C@H](CC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C)OC ZINC000658084198 430804459 /nfs/dbraw/zinc/80/44/59/430804459.db2.gz IGJKLHURCBXXIC-NZSAHSFTSA-N 2 0 320.477 2.538 20 0 DFADRP OC[C@@H]([NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)C1CCC1 ZINC000658089037 430805441 /nfs/dbraw/zinc/80/54/41/430805441.db2.gz WTZHGCXTLDHBIO-IYWMVGAKSA-N 2 0 314.473 2.933 20 0 DFADRP OC[C@@H]([NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)C1CCC1 ZINC000658089050 430805788 /nfs/dbraw/zinc/80/57/88/430805788.db2.gz WTZHGCXTLDHBIO-YSTOQKLRSA-N 2 0 314.473 2.933 20 0 DFADRP COC[C@H](CC[NH2+][C@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1)OC ZINC000658086026 430805945 /nfs/dbraw/zinc/80/59/45/430805945.db2.gz SYGQOBDXAMKLJV-QRQLOZEOSA-N 2 0 320.477 2.538 20 0 DFADRP CC(C)[N@H+](Cc1ccc(OCC[NH+]2CCCC2)cc1)C1COC1 ZINC000648606318 430836680 /nfs/dbraw/zinc/83/66/80/430836680.db2.gz QDQVLPWEMRMCNX-UHFFFAOYSA-N 2 0 318.461 2.770 20 0 DFADRP OC[C@H]([NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)C1CCC1 ZINC000658089035 430806331 /nfs/dbraw/zinc/80/63/31/430806331.db2.gz WTZHGCXTLDHBIO-HAGHYFMRSA-N 2 0 314.473 2.933 20 0 DFADRP COC[C@H](CC(C)(C)C)[NH2+]C1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000651719630 430858915 /nfs/dbraw/zinc/85/89/15/430858915.db2.gz ZSHFLBADLLWJBA-WBVHZDCISA-N 2 0 312.498 2.528 20 0 DFADRP C[C@H]([NH3+])[C@H]1COCC[C@H]1[NH2+]Cc1cc(Cl)cc(Cl)c1 ZINC000665229407 430861337 /nfs/dbraw/zinc/86/13/37/430861337.db2.gz XQVSBJXRTABCHZ-CUOATXAZSA-N 2 0 303.233 2.835 20 0 DFADRP C[C@@H]([NH2+]CC1CCC(O)CC1)c1ccc(OCC[NH+](C)C)cc1 ZINC000658285560 430864378 /nfs/dbraw/zinc/86/43/78/430864378.db2.gz XBWVXMMPDQVOAU-KLHKWILBSA-N 2 0 320.477 2.829 20 0 DFADRP Fc1c(C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)cccc1OC1CC1 ZINC000665244048 430866454 /nfs/dbraw/zinc/86/64/54/430866454.db2.gz FNRXQPXJCPFWFB-NWANDNLSSA-N 2 0 304.409 2.845 20 0 DFADRP CC[NH+](CC)CCC[C@@H](C)[NH2+]Cc1cnnn1-c1ccccc1 ZINC000651749861 430866640 /nfs/dbraw/zinc/86/66/40/430866640.db2.gz LUSODWMOHOBWNO-MRXNPFEDSA-N 2 0 315.465 2.867 20 0 DFADRP C[NH+](C)Cc1cccc(C[NH2+]Cc2cnnn2-c2ccccc2)c1 ZINC000651749576 430867778 /nfs/dbraw/zinc/86/77/78/430867778.db2.gz BGBZRTYBNCQYTN-UHFFFAOYSA-N 2 0 321.428 2.619 20 0 DFADRP CC[NH+](CC)[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)c1ccccc1 ZINC000648724310 430870418 /nfs/dbraw/zinc/87/04/18/430870418.db2.gz QYZMUOHIBDCDSC-NXHRZFHOSA-N 2 0 317.477 2.526 20 0 DFADRP CNC(=O)CC1(C[NH2+]C2CC[NH+](CC3CC3)CC2)CCCCC1 ZINC000658308556 430872393 /nfs/dbraw/zinc/87/23/93/430872393.db2.gz YVSULKDREHWDAU-UHFFFAOYSA-N 2 0 321.509 2.537 20 0 DFADRP Clc1ccc(C[NH2+][C@H](C2CC2)[C@H]2CNCCO2)cc1Cl ZINC000665265525 430875508 /nfs/dbraw/zinc/87/55/08/430875508.db2.gz XIXMGAJAAWCSFX-HUUCEWRRSA-N 2 0 315.244 2.850 20 0 DFADRP C[C@]1(C[NH2+][C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)CC1(F)F ZINC000665267526 430876261 /nfs/dbraw/zinc/87/62/61/430876261.db2.gz YHBWDPQQUXNEDS-NUEKZKHPSA-N 2 0 308.372 2.877 20 0 DFADRP C[C@H]([NH3+])[C@@H](Cc1ccccc1)N[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000665266785 430877094 /nfs/dbraw/zinc/87/70/94/430877094.db2.gz JRWZTLGBXCAIBV-ILZDJORESA-N 2 0 315.505 2.942 20 0 DFADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+][C@H]1COc2cc(F)ccc2C1 ZINC000665266531 430877291 /nfs/dbraw/zinc/87/72/91/430877291.db2.gz DMSJUUXMDFBNMR-MLGOLLRUSA-N 2 0 315.392 2.642 20 0 DFADRP CC(C)[C@H]([NH3+])CCN[C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000665281203 430881838 /nfs/dbraw/zinc/88/18/38/430881838.db2.gz XARMDJHDBABZIF-UHOSZYNNSA-N 2 0 303.494 2.860 20 0 DFADRP C[NH2+]CCCC(=O)N1CCC([NH2+][C@H](C)c2sccc2C)CC1 ZINC000665285466 430882766 /nfs/dbraw/zinc/88/27/66/430882766.db2.gz NLZULHUTVRFRJZ-CQSZACIVSA-N 2 0 323.506 2.698 20 0 DFADRP C[N@@H+]1CC[C@H]([NH2+]CC2CC[NH+](CC3CC3)CC2)[C@H]2CCC[C@H]21 ZINC000658351953 430883664 /nfs/dbraw/zinc/88/36/64/430883664.db2.gz BQXPIETYQHEYHX-CEXWTWQISA-N 3 0 305.510 2.571 20 0 DFADRP C[NH2+]CCCC(=O)N1CCC([NH2+][C@@H](C)c2ccc(C)cc2)CC1 ZINC000665285039 430883750 /nfs/dbraw/zinc/88/37/50/430883750.db2.gz BCHISGYPMCBIGT-INIZCTEOSA-N 2 0 317.477 2.636 20 0 DFADRP CC[C@@H]([NH2+]C1CCN(C(=O)CCC[NH2+]C)CC1)c1ccccc1 ZINC000665285001 430884881 /nfs/dbraw/zinc/88/48/81/430884881.db2.gz AAKJZDDOQXELSQ-GOSISDBHSA-N 2 0 317.477 2.718 20 0 DFADRP C[NH2+]CCCC(=O)N1CCC([NH2+][C@H](C)c2cc(C)oc2C)CC1 ZINC000665287642 430887372 /nfs/dbraw/zinc/88/73/72/430887372.db2.gz QRARKHXXVPANSG-CQSZACIVSA-N 2 0 321.465 2.538 20 0 DFADRP C[C@H]([NH3+])C[C@H](C)[NH2+]Cc1cccc(COC[C@@H]2CCCO2)c1 ZINC000665294196 430888533 /nfs/dbraw/zinc/88/85/33/430888533.db2.gz JYVBQVLMEGZQBC-MPGHIAIKSA-N 2 0 306.450 2.598 20 0 DFADRP Cn1cc(C[C@H]2CCC[C@H]2[NH2+]CC[C@H]2CCCC[N@@H+]2C)cn1 ZINC000661779905 430839598 /nfs/dbraw/zinc/83/95/98/430839598.db2.gz OLEREKMMSKBHFD-KZNAEPCWSA-N 2 0 304.482 2.595 20 0 DFADRP Cn1cc(C[C@H]2CCC[C@@H]2[NH2+]CCC[NH+]2CCCCC2)cn1 ZINC000661784716 430841140 /nfs/dbraw/zinc/84/11/40/430841140.db2.gz RIECEYYQPAWZJP-MSOLQXFVSA-N 2 0 304.482 2.597 20 0 DFADRP c1cc(C[NH2+][C@H]2CCC[NH2+]CC2)cc(COC[C@@H]2CCCO2)c1 ZINC000665295034 430890009 /nfs/dbraw/zinc/89/00/09/430890009.db2.gz ZZECUBPFCGJVNJ-OALUTQOASA-N 2 0 318.461 2.614 20 0 DFADRP C[C@@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]CC1CC[NH+](CC2CC2)CC1 ZINC000665300127 430890960 /nfs/dbraw/zinc/89/09/60/430890960.db2.gz YRVNIGBYCPRSMB-UZLBHIALSA-N 3 0 315.505 2.657 20 0 DFADRP COc1ccccc1-c1cc(C[NH2+][C@H]2CCC[C@@H]2C[NH3+])on1 ZINC000665299945 430891005 /nfs/dbraw/zinc/89/10/05/430891005.db2.gz VOFCUFCGJULWLV-DOMZBBRYSA-N 2 0 301.390 2.567 20 0 DFADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]C[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000665299915 430891188 /nfs/dbraw/zinc/89/11/88/430891188.db2.gz VILFNBNLIUCBCB-WMLDXEAASA-N 3 0 316.493 2.621 20 0 DFADRP CC(C)C[N@H+](C)CCC[NH2+][C@@H](C)CC(=O)N(C)c1ccccc1 ZINC000651865880 430897285 /nfs/dbraw/zinc/89/72/85/430897285.db2.gz LFFXWPAOMPRDLD-KRWDZBQOSA-N 2 0 319.493 2.996 20 0 DFADRP CC(C)[C@H](C(=O)N(C)[C@@H](C)C1CC[NH+](C)CC1)[NH+]1CCCCC1 ZINC000648845268 430911624 /nfs/dbraw/zinc/91/16/24/430911624.db2.gz QBPDIVMGIAVWGG-FUHWJXTLSA-N 2 0 323.525 2.686 20 0 DFADRP c1cc([C@@H]2C[C@H]([NH2+]C3CC[NH+](CC4CC4)CC3)CCO2)ccn1 ZINC000651966573 430928717 /nfs/dbraw/zinc/92/87/17/430928717.db2.gz RWJUVHBIZHJOHF-MOPGFXCFSA-N 2 0 315.461 2.766 20 0 DFADRP O[C@@H]1CC[N@@H+](C2CCN([C@@H]3CCc4c3cccc4Cl)CC2)C1 ZINC000662154073 430981065 /nfs/dbraw/zinc/98/10/65/430981065.db2.gz WDEXUABVTTXNJO-RDTXWAMCSA-N 2 0 320.864 2.858 20 0 DFADRP Fc1ccc(CC2CC[NH+](C[C@H]3CCC4(C[NH2+]C4)O3)CC2)cc1 ZINC000662257429 431019681 /nfs/dbraw/zinc/01/96/81/431019681.db2.gz OHXJZBJENFCZLA-GOSISDBHSA-N 2 0 318.436 2.601 20 0 DFADRP c1ccc(SC[C@H]2CC[N@H+](C[C@H]3CCC4(C[NH2+]C4)O3)C2)cc1 ZINC000662256355 431019887 /nfs/dbraw/zinc/01/98/87/431019887.db2.gz IMJLILDXSCJXNX-JKSUJKDBSA-N 2 0 318.486 2.622 20 0 DFADRP [NH3+]Cc1ccc(NC(=O)c2ccc3c(c2)[C@H](C[NH3+])CCC3)cc1 ZINC000659307668 431020474 /nfs/dbraw/zinc/02/04/74/431020474.db2.gz RPSXWQHYFBCKAY-INIZCTEOSA-N 2 0 309.413 2.776 20 0 DFADRP COc1ccc(-c2cc(C[N@@H+]3C[C@H](C[NH3+])C[C@@H]3C)on2)cc1 ZINC000662265584 431020930 /nfs/dbraw/zinc/02/09/30/431020930.db2.gz RLOPNJHADIBNCK-STQMWFEESA-N 2 0 301.390 2.519 20 0 DFADRP C[N@H+](CCc1ccc2c(c1)OC(F)(F)O2)[C@@H]1CCC[NH2+]CC1 ZINC000662267343 431025363 /nfs/dbraw/zinc/02/53/63/431025363.db2.gz UFTKXIGUFHINJH-CYBMUJFWSA-N 2 0 312.360 2.625 20 0 DFADRP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCC[N@H+](CCCc3ccccc3)C2)C1 ZINC000652345900 431025718 /nfs/dbraw/zinc/02/57/18/431025718.db2.gz ONUVWPDNCPVXHW-IPMKNSEASA-N 2 0 302.462 2.838 20 0 DFADRP [NH3+][C@@H]1CCO[C@H]([C@H]2CCC[N@H+](CCCc3ccsc3)C2)C1 ZINC000652349311 431027189 /nfs/dbraw/zinc/02/71/89/431027189.db2.gz KGFWIRBAECBDFV-BBWFWOEESA-N 2 0 308.491 2.899 20 0 DFADRP CCc1cccc(C[N@@H+]2CCC[C@H]([C@H]3C[C@@H]([NH3+])CCO3)C2)c1 ZINC000652349390 431027781 /nfs/dbraw/zinc/02/77/81/431027781.db2.gz MZYFXARXSRULRK-GBESFXJTSA-N 2 0 302.462 2.967 20 0 DFADRP CC[C@@H]1C[N@H+](CCc2ccc3c(c2)OC(F)(F)O3)CC[C@@H]1[NH3+] ZINC000662272128 431028149 /nfs/dbraw/zinc/02/81/49/431028149.db2.gz KJSGIWZMGFZWTJ-OLZOCXBDSA-N 2 0 312.360 2.610 20 0 DFADRP [NH3+]C[C@H]1C[N@H+](CC[C@@H]2CCc3ccccc32)CC12CCOCC2 ZINC000662272646 431028253 /nfs/dbraw/zinc/02/82/53/431028253.db2.gz GNLQVJLCDDHAIB-ROUUACIJSA-N 2 0 314.473 2.794 20 0 DFADRP CCO[C@@H](C)c1nc(CN2C[C@@H]3CCC[C@]3(C[NH3+])C2)cs1 ZINC000652352375 431028262 /nfs/dbraw/zinc/02/82/62/431028262.db2.gz MMIRBWRMVUCLHK-XEZPLFJOSA-N 2 0 309.479 2.801 20 0 DFADRP [NH3+]C[C@]12CCC[C@H]1CN(CC(=O)NCCCC1CCCCC1)C2 ZINC000652351875 431028583 /nfs/dbraw/zinc/02/85/83/431028583.db2.gz BZCOOTDOEGRLEH-HKUYNNGSSA-N 2 0 321.509 2.524 20 0 DFADRP COc1ccc(COCC[N@@H+]2CCC[C@H](C)[C@@H]2CC[NH3+])cc1 ZINC000652354832 431029449 /nfs/dbraw/zinc/02/94/49/431029449.db2.gz JMRIXBMAMBBRLN-YJBOKZPZSA-N 2 0 306.450 2.661 20 0 DFADRP Cc1ccc(C)c([C@@H]2CCC[N@@H+]2C[C@@H]2CCC3(C[NH2+]C3)O2)c1 ZINC000662278257 431030819 /nfs/dbraw/zinc/03/08/19/431030819.db2.gz DBBGCMSOVIKQJM-WMZOPIPTSA-N 2 0 300.446 2.961 20 0 DFADRP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCC[N@@H+]2Cc2ccncc2Cl)C1 ZINC000652363326 431032106 /nfs/dbraw/zinc/03/21/06/431032106.db2.gz AZKSSNLFJDKISO-VNQPRFMTSA-N 2 0 309.841 2.596 20 0 DFADRP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCC[N@@H+]2CCOCc2ccccc2)C1 ZINC000662282561 431032467 /nfs/dbraw/zinc/03/24/67/431032467.db2.gz CGMYFESBKLMAIA-QRVBRYPASA-N 2 0 318.461 2.564 20 0 DFADRP CC(C)(C)c1ccc2c(c1)C[N@@H+](C[C@H]1CCC3(C[NH2+]C3)O1)CC2 ZINC000662281716 431032587 /nfs/dbraw/zinc/03/25/87/431032587.db2.gz ZPFMNEFSOMRMGS-GOSISDBHSA-N 2 0 314.473 2.863 20 0 DFADRP CC[C@H](CC(F)F)C[NH+]1CCC([C@@H]2C[C@H]([NH3+])CCO2)CC1 ZINC000662280279 431032926 /nfs/dbraw/zinc/03/29/26/431032926.db2.gz CCGNZTFLMYKZOE-YUELXQCFSA-N 2 0 304.425 2.886 20 0 DFADRP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCC[N@@H+]2CCCOc2ccccc2)C1 ZINC000652361754 431032939 /nfs/dbraw/zinc/03/29/39/431032939.db2.gz OOINDMQIWOSVHY-NEWSRXKRSA-N 2 0 318.461 2.816 20 0 DFADRP CN1CC[C@@H]([NH2+]Cc2cccc3c2CC[NH2+]C3)[C@H]1c1ccccc1 ZINC000662284492 431033106 /nfs/dbraw/zinc/03/31/06/431033106.db2.gz ZBKSWBSZSCKTIV-NHCUHLMSSA-N 2 0 321.468 2.867 20 0 DFADRP COCC[C@@H]1CCCC[N@H+](Cc2cccc3c2CC[NH2+]C3)C1 ZINC000662281982 431033307 /nfs/dbraw/zinc/03/33/07/431033307.db2.gz NCOSQLDPDREZAB-INIZCTEOSA-N 2 0 302.462 2.971 20 0 DFADRP c1ccc(C[C@@H]2CCC[C@@H]2[NH2+]C[C@@H]2CCC3(C[NH2+]C3)O2)cc1 ZINC000662281703 431033425 /nfs/dbraw/zinc/03/34/25/431033425.db2.gz LCYPJYUNYBEYSZ-BZSNNMDCSA-N 2 0 300.446 2.508 20 0 DFADRP CO[C@H](C[N@@H+]1CCCC[C@@H]1[C@H]1C[C@H]([NH3+])CCO1)C1CCCC1 ZINC000662284992 431034175 /nfs/dbraw/zinc/03/41/75/431034175.db2.gz TUUCHCLRLFSGIG-BRSBDYLESA-N 2 0 310.482 2.552 20 0 DFADRP CC[C@H](CC(F)F)C[N@@H+]1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000662286908 431034528 /nfs/dbraw/zinc/03/45/28/431034528.db2.gz TVMSKJIYAQEHNK-QPSCCSFWSA-N 2 0 304.425 2.886 20 0 DFADRP CO[C@H](C[N@@H+]1CCCC[C@@H]1[C@@H]1C[C@@H]([NH3+])CCO1)c1ccccc1 ZINC000662285163 431035330 /nfs/dbraw/zinc/03/53/30/431035330.db2.gz YJEPTXIURBCANW-ZSYWTGECSA-N 2 0 318.461 2.735 20 0 DFADRP Cc1cccc2nc(C[NH+]3CCC([C@@H]4CCC[NH2+]C4)CC3)cn21 ZINC000662293956 431035731 /nfs/dbraw/zinc/03/57/31/431035731.db2.gz VOHUNZOXIIJGCC-QGZVFWFLSA-N 2 0 312.461 2.854 20 0 DFADRP OCC1([NH2+]CCCSc2ccccc2Cl)CC[NH2+]CC1 ZINC000662287053 431035841 /nfs/dbraw/zinc/03/58/41/431035841.db2.gz QZBNEBIIXRHWLX-UHFFFAOYSA-N 2 0 314.882 2.526 20 0 DFADRP CC[C@H](CC(F)F)C[N@@H+]1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1 ZINC000662286905 431036018 /nfs/dbraw/zinc/03/60/18/431036018.db2.gz TVMSKJIYAQEHNK-BARDWOONSA-N 2 0 304.425 2.886 20 0 DFADRP O=C(C[N@@H+]1CCC[C@H](C2CC[NH2+]CC2)C1)NC1CCCCCC1 ZINC000662293649 431036090 /nfs/dbraw/zinc/03/60/90/431036090.db2.gz HFFCYKIADBDMDO-KRWDZBQOSA-N 2 0 321.509 2.537 20 0 DFADRP CC(=O)Nc1cccc(C[NH+]2CCC([C@@H]3CCC[NH2+]C3)CC2)c1 ZINC000662294969 431036134 /nfs/dbraw/zinc/03/61/34/431036134.db2.gz XQNSCOVNTAEAPP-GOSISDBHSA-N 2 0 315.461 2.857 20 0 DFADRP CC1(C)CO[C@H](c2cccc(F)c2)C[N@@H+]1CC[C@H]1CC[NH2+]C1 ZINC000662310237 431042335 /nfs/dbraw/zinc/04/23/35/431042335.db2.gz IMWHYWHOXSWXFL-PBHICJAKSA-N 2 0 306.425 2.977 20 0 DFADRP C[C@@H]1CCC[N@H+](Cc2cn(-c3ccccc3)nn2)[C@@H]1CCC[NH3+] ZINC000662311207 431042746 /nfs/dbraw/zinc/04/27/46/431042746.db2.gz AFSQLKKOZHHELP-CRAIPNDOSA-N 2 0 313.449 2.607 20 0 DFADRP COc1ccc([C@H](C[NH3+])C[N@@H+]2CCC[C@@H](C)[C@H]2CCC[NH3+])cc1 ZINC000662313983 431044471 /nfs/dbraw/zinc/04/44/71/431044471.db2.gz ARKIZAUNOGTLDJ-SZVBFZGTSA-N 3 0 319.493 2.577 20 0 DFADRP COc1cccc(CCC[N@@H+]2CCO[C@@H](CCC[NH+](C)C)C2)c1 ZINC000662320115 431046264 /nfs/dbraw/zinc/04/62/64/431046264.db2.gz PYNSYNFCZWWZQE-IBGZPJMESA-N 2 0 320.477 2.670 20 0 DFADRP C[NH+](C)CCC[C@H]1C[N@H+](CCCOc2ccc(F)cc2)CCO1 ZINC000662321182 431046504 /nfs/dbraw/zinc/04/65/04/431046504.db2.gz YUBOWPFBMDNHOI-SFHVURJKSA-N 2 0 324.440 2.637 20 0 DFADRP CC[C@@H]([NH2+]C)C(=O)Nc1ccc(C[NH+]2CCC(C)CC2)cc1 ZINC000662388448 431069888 /nfs/dbraw/zinc/06/98/88/431069888.db2.gz PJFLIAZRTHULMV-QGZVFWFLSA-N 2 0 303.450 2.855 20 0 DFADRP CC(C)[N@H+](C)CC1CCN(C(=O)c2ccc([C@@H](C)[NH3+])cc2)CC1 ZINC000645688759 431051185 /nfs/dbraw/zinc/05/11/85/431051185.db2.gz VTLDGDOHNCRYBT-OAHLLOKOSA-N 2 0 317.477 2.899 20 0 DFADRP CC[NH+](CC)Cc1cccc(CNC(=O)[C@H]2CCC[C@@H]2C[NH3+])c1 ZINC000649290030 431057089 /nfs/dbraw/zinc/05/70/89/431057089.db2.gz QIUZWZWPISIOAG-MSOLQXFVSA-N 2 0 317.477 2.520 20 0 DFADRP CC[NH+](CC)CCCCNC(=O)[C@@H]([NH3+])c1cccc(Cl)c1 ZINC000649294925 431057462 /nfs/dbraw/zinc/05/74/62/431057462.db2.gz VKRZFACWXZLZMM-HNNXBMFYSA-N 2 0 311.857 2.578 20 0 DFADRP C[C@@H]1CCCC[N@@H+]1Cc1ccc(NC(=O)[C@@H]2C[C@H]3C[C@H]3[NH2+]2)cc1 ZINC000649288186 431057714 /nfs/dbraw/zinc/05/77/14/431057714.db2.gz AOGSEWQYIIFMRI-UWIFEVILSA-N 2 0 313.445 2.750 20 0 DFADRP Cc1ccccc1C[N@@H+]1CCCN(C(=O)CCC(C)(C)[NH3+])CC1 ZINC000649287474 431058058 /nfs/dbraw/zinc/05/80/58/431058058.db2.gz ILNVCSROXYQUJT-UHFFFAOYSA-N 2 0 317.477 2.547 20 0 DFADRP CCc1ccc2[nH+]ccc(N3CC[NH+]([C@@H]4CCOC4)CC3)c2c1 ZINC000649304535 431062508 /nfs/dbraw/zinc/06/25/08/431062508.db2.gz ICKXOQHPOYTOFC-MRXNPFEDSA-N 2 0 311.429 2.708 20 0 DFADRP CC(C)[C@@H]([NH3+])CC(=O)NCc1cccc(C[N@H+](C)C(C)C)c1 ZINC000649306891 431062840 /nfs/dbraw/zinc/06/28/40/431062840.db2.gz XHAQSLVLQILGOO-KRWDZBQOSA-N 2 0 305.466 2.516 20 0 DFADRP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)[C@H]2CCCCC[NH2+]2)C1 ZINC000649310916 431063594 /nfs/dbraw/zinc/06/35/94/431063594.db2.gz NLDJHAYSCSGLLV-KZNAEPCWSA-N 2 0 321.509 2.632 20 0 DFADRP C[NH+](C)Cc1ccc(NC(=O)C[C@H]2[NH2+]Cc3ccccc32)cc1 ZINC000662375661 431064786 /nfs/dbraw/zinc/06/47/86/431064786.db2.gz QYJLGYFIUSWHQA-GOSISDBHSA-N 2 0 309.413 2.921 20 0 DFADRP [NH3+][C@@H]1CCCCCC[C@@H]1C(=O)Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000649319257 431065568 /nfs/dbraw/zinc/06/55/68/431065568.db2.gz SMFKOOUVPYQFEJ-JKSUJKDBSA-N 2 0 313.405 2.504 20 0 DFADRP CC[NH+]1CCC(CCNC(=O)[C@@H]([NH3+])c2cccc(Cl)c2)CC1 ZINC000649331911 431068249 /nfs/dbraw/zinc/06/82/49/431068249.db2.gz GRFYMKLGEDVGDH-INIZCTEOSA-N 2 0 323.868 2.578 20 0 DFADRP C[NH+](C)CCc1ccc(NC(=O)C[C@H]2[NH2+]Cc3ccccc32)cc1 ZINC000659284278 431012713 /nfs/dbraw/zinc/01/27/13/431012713.db2.gz CVDVJPQPESRYEP-LJQANCHMSA-N 2 0 323.440 2.964 20 0 DFADRP CC[NH+](CC)[C@H](CNC(=O)C[C@@H]([NH3+])C(C)C)c1ccsc1 ZINC000645485335 431013596 /nfs/dbraw/zinc/01/35/96/431013596.db2.gz JQLUDZZUHCBMAI-HUUCEWRRSA-N 2 0 311.495 2.621 20 0 DFADRP C[C@@H]([NH3+])[C@H]1CCC[N@H+](CCc2ccc3c(c2)OC(F)(F)O3)C1 ZINC000662244451 431013608 /nfs/dbraw/zinc/01/36/08/431013608.db2.gz GXDDKYJCPVOBKY-YPMHNXCESA-N 2 0 312.360 2.610 20 0 DFADRP C[C@H]([NH3+])c1ccc(CNC(=O)C[C@@H]2[NH2+]Cc3ccccc32)cc1 ZINC000659292143 431014311 /nfs/dbraw/zinc/01/43/11/431014311.db2.gz OMRMRCGUPXPOTE-UGSOOPFHSA-N 2 0 309.413 2.557 20 0 DFADRP Cc1ccc([C@H]2CCC[N@@H+]2C[C@H]2CCC3(C[NH2+]C3)O2)cc1C ZINC000662253828 431015370 /nfs/dbraw/zinc/01/53/70/431015370.db2.gz WZIZKQMHEJCNQF-QZTJIDSGSA-N 2 0 300.446 2.961 20 0 DFADRP C[C@@H]1C[C@@H](c2ccccc2F)[N@H+](C[C@H]2CCC3(C[NH2+]C3)O2)C1 ZINC000662253977 431015699 /nfs/dbraw/zinc/01/56/99/431015699.db2.gz CTZCVLQARFBKDA-CPUCHLNUSA-N 2 0 304.409 2.730 20 0 DFADRP C[C@@H](C1CC1)[N@@H+](Cc1ccccc1)C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662249927 431016444 /nfs/dbraw/zinc/01/64/44/431016444.db2.gz VLICTKVZKJHBQI-YJBOKZPZSA-N 2 0 300.446 2.808 20 0 DFADRP C[C@@H](Cc1ccc(Cl)cc1)[N@H+](C)C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662254043 431017370 /nfs/dbraw/zinc/01/73/70/431017370.db2.gz DPOPYCDNDXFQBY-BBRMVZONSA-N 2 0 308.853 2.724 20 0 DFADRP C[C@H]([NH2+]CCC1(CO)CCC1)c1ccc(OCC[NH+](C)C)cc1 ZINC000652310385 431017514 /nfs/dbraw/zinc/01/75/14/431017514.db2.gz FJFVAFKOYXCQOQ-INIZCTEOSA-N 2 0 320.477 2.830 20 0 DFADRP CC[C@H](Cc1ccc(C)cc1)[N@H+](C)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662258320 431018778 /nfs/dbraw/zinc/01/87/78/431018778.db2.gz VSPYBNCKZHGAOQ-QZTJIDSGSA-N 2 0 302.462 2.769 20 0 DFADRP CC(C)c1nnc(CN(C)C[C@H]2CCc3nccn3C2)s1 ZINC000649460684 431108724 /nfs/dbraw/zinc/10/87/24/431108724.db2.gz OTEJVDSDBAFEIZ-GFCCVEGCSA-N 2 0 305.451 2.552 20 0 DFADRP CCC[C@H](C(=O)N1CCC[C@H]([NH+]2CCCCCC2)C1)[NH+](C)C ZINC000153691356 278919035 /nfs/dbraw/zinc/91/90/35/278919035.db2.gz MTSPQRJRUJTNJC-DLBZAZTESA-N 2 0 309.498 2.584 20 0 DFADRP CC[C@@H]([NH2+]C)C(=O)NCc1ccccc1C[NH+]1CCC(C)CC1 ZINC000662545039 431111477 /nfs/dbraw/zinc/11/14/77/431111477.db2.gz LBPSMMWZMZIUCL-GOSISDBHSA-N 2 0 317.477 2.533 20 0 DFADRP CCc1cccc(C[NH2+]C[C@H](O)CN2CCc3ccccc3C2)c1 ZINC000649487404 431116265 /nfs/dbraw/zinc/11/62/65/431116265.db2.gz CKVGCNPCOGTJKQ-NRFANRHFSA-N 2 0 324.468 2.758 20 0 DFADRP Cc1[nH+]c2cc(NC3CC[NH+]([C@H]4CCOC4)CC3)ccc2n1C ZINC000655751509 431117790 /nfs/dbraw/zinc/11/77/90/431117790.db2.gz HOHWXILVOSLMOD-INIZCTEOSA-N 2 0 314.433 2.547 20 0 DFADRP CC(C)(C)[N@@H+]1CC[C@H](CNC(=O)CC[C@@H]([NH3+])c2ccccc2)C1 ZINC000662589353 431126536 /nfs/dbraw/zinc/12/65/36/431126536.db2.gz BMZUILMLKLTFSM-NVXWUHKLSA-N 2 0 317.477 2.703 20 0 DFADRP CC(C)C[C@H](C[NH3+])CC(=O)N[C@@H](CCC[NH3+])c1ccccc1 ZINC000662571445 431118210 /nfs/dbraw/zinc/11/82/10/431118210.db2.gz OWBWHEZCSJWFJO-RDJZCZTQSA-N 2 0 305.466 2.594 20 0 DFADRP C[N@@H+]1CCC[C@@H]1[C@H]1CCCN1C(=O)CC[C@@H]([NH3+])c1ccccc1 ZINC000645941455 431122644 /nfs/dbraw/zinc/12/26/44/431122644.db2.gz NDGMSRPRJOXKII-KZNAEPCWSA-N 2 0 315.461 2.552 20 0 DFADRP CC[C@H]([NH2+]C)C(=O)Nc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000662416423 431076712 /nfs/dbraw/zinc/07/67/12/431076712.db2.gz CRDHIYCTFFRTRS-KRWDZBQOSA-N 2 0 303.450 2.999 20 0 DFADRP C[C@@H]([NH3+])c1ccc(NC(=O)c2cc3c(s2)CC[NH2+]C3)cc1 ZINC000662422953 431078211 /nfs/dbraw/zinc/07/82/11/431078211.db2.gz SFUKSHJBWVEFGG-SNVBAGLBSA-N 2 0 301.415 2.666 20 0 DFADRP CC[C@H]([NH2+]C)C(=O)NCc1cccc(C[NH+]2CCC(C)CC2)c1 ZINC000662436832 431081569 /nfs/dbraw/zinc/08/15/69/431081569.db2.gz ZTGMXXVLRFOEAJ-SFHVURJKSA-N 2 0 317.477 2.533 20 0 DFADRP CC(C)C[C@@H]([NH3+])C(=O)N1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000649377961 431081679 /nfs/dbraw/zinc/08/16/79/431081679.db2.gz GYZOALGXEDMZMG-FUHWJXTLSA-N 2 0 323.525 2.863 20 0 DFADRP CCN1C[C@H](C[N@H+](C)CC[C@H]2CCC[NH2+]C2)Oc2ccccc21 ZINC000649411426 431093718 /nfs/dbraw/zinc/09/37/18/431093718.db2.gz WPNHOYXTYUTGBA-SJORKVTESA-N 2 0 317.477 2.595 20 0 DFADRP Cc1cc(C)n(C[C@H]2CCCC[N@@H+]2CCC2CC[NH2+]CC2)n1 ZINC000649413093 431093753 /nfs/dbraw/zinc/09/37/53/431093753.db2.gz LGKPHXHTWATAQG-GOSISDBHSA-N 2 0 304.482 2.744 20 0 DFADRP CCc1nc([C@@H](C)NC2CC[NH+]([C@@H]3CCOC3)CC2)cs1 ZINC000655712264 431094163 /nfs/dbraw/zinc/09/41/63/431094163.db2.gz POKMZTFJIAZLOZ-TZMCWYRMSA-N 2 0 309.479 2.609 20 0 DFADRP Fc1ccc(F)c(N2CC[NH+](CCCC3CC[NH2+]CC3)CC2)c1 ZINC000649413642 431094196 /nfs/dbraw/zinc/09/41/96/431094196.db2.gz WACGYOHZSDXTSC-UHFFFAOYSA-N 2 0 323.431 2.867 20 0 DFADRP Cc1ccccc1CN1CCC[N@H+](CC[C@@H]2CCC[NH2+]C2)CC1 ZINC000649411549 431094726 /nfs/dbraw/zinc/09/47/26/431094726.db2.gz DNXBMQNSOUGAQF-IBGZPJMESA-N 2 0 315.505 2.892 20 0 DFADRP CN(CC[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1)c1ccccc1 ZINC000649418220 431095918 /nfs/dbraw/zinc/09/59/18/431095918.db2.gz JRUMOBICHUEVHQ-ROUUACIJSA-N 2 0 301.478 2.834 20 0 DFADRP Cc1cc(C)n(-c2ccc(CN3CC[C@H]4CC[NH2+][C@@H]4C3)cc2)n1 ZINC000649419028 431096042 /nfs/dbraw/zinc/09/60/42/431096042.db2.gz CAHSBVKPNFZFKC-IEBWSBKVSA-N 2 0 310.445 2.673 20 0 DFADRP CN(Cc1cccnc1)C[C@H]1CC[N@H+](CCC[C@H]2CCOC2)C1 ZINC000645895058 431105005 /nfs/dbraw/zinc/10/50/05/431105005.db2.gz URYPBTCPXLAZNK-PKOBYXMFSA-N 2 0 317.477 2.652 20 0 DFADRP [NH3+][C@@H](CCC(=O)N[C@@H]1CC[N@H+](CC2CC2)C1)CC1CCCCC1 ZINC000645953393 431129227 /nfs/dbraw/zinc/12/92/27/431129227.db2.gz RSPFGIRLGAPXNQ-ZWKOTPCHSA-N 2 0 321.509 2.665 20 0 DFADRP [NH3+][C@@H](CCC(=O)N[C@H]1CC[N@H+](CC2CC2)C1)CC1CCCCC1 ZINC000645953392 431129643 /nfs/dbraw/zinc/12/96/43/431129643.db2.gz RSPFGIRLGAPXNQ-ROUUACIJSA-N 2 0 321.509 2.665 20 0 DFADRP CC[N@H+](CCCNC(=O)[C@@H]1CCCC[NH+]1C)C1CCCCC1 ZINC000652756654 431127686 /nfs/dbraw/zinc/12/76/86/431127686.db2.gz OFZYNJRQFNQQIM-KRWDZBQOSA-N 2 0 309.498 2.632 20 0 DFADRP CC(C)C[C@@H](CNC(=O)CC(C)(C)[NH3+])[NH2+][C@H](C)c1ccccc1 ZINC000645964359 431132480 /nfs/dbraw/zinc/13/24/80/431132480.db2.gz FSXKGLFSHYGZSO-WBVHZDCISA-N 2 0 319.493 2.996 20 0 DFADRP CC[NH+](CC)[C@@H](C(=O)N(C)CC[NH+]1CCCC1)c1ccccc1 ZINC000355624635 279140210 /nfs/dbraw/zinc/14/02/10/279140210.db2.gz XKSQMSLNCZCDKX-GOSISDBHSA-N 2 0 317.477 2.624 20 0 DFADRP CC[NH+](CC)[C@@H](C(=O)NC[C@H]1CC[N@H+](CC)C1)c1ccccc1 ZINC000109120950 279141233 /nfs/dbraw/zinc/14/12/33/279141233.db2.gz VALMPTNGRGORFT-SJLPKXTDSA-N 2 0 317.477 2.528 20 0 DFADRP CO[C@@H](C[NH+]1CCC(C[NH+]2CCCCCC2)CC1)[C@@H]1CCOC1 ZINC000659839889 431137237 /nfs/dbraw/zinc/13/72/37/431137237.db2.gz ZPKBQBHWRBSGKU-MOPGFXCFSA-N 2 0 324.509 2.626 20 0 DFADRP CC[NH+]1CCC([NH2+]C[C@@]2(CC)OCCc3ccccc32)CC1 ZINC000289801369 279262215 /nfs/dbraw/zinc/26/22/15/279262215.db2.gz NWUMNXWTIRTPBT-LJQANCHMSA-N 2 0 302.462 2.939 20 0 DFADRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+][C@@H]1C[C@@H](C)c2ccccc21 ZINC000289838418 279263888 /nfs/dbraw/zinc/26/38/88/279263888.db2.gz AWMNSIKFJXNNEF-GPMSIDNRSA-N 2 0 301.478 2.851 20 0 DFADRP CC[NH+](CC)CCCNC(=O)C1CC[NH+]([C@@H](C)C(C)C)CC1 ZINC000659843595 431138678 /nfs/dbraw/zinc/13/86/78/431138678.db2.gz DBDWURSHULZVBR-INIZCTEOSA-N 2 0 311.514 2.591 20 0 DFADRP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@@H]1C[C@@H](c2ccccc2)C1(C)C ZINC000248642166 279312880 /nfs/dbraw/zinc/31/28/80/279312880.db2.gz MYQUALXTNWOYHQ-NZSAHSFTSA-N 2 0 315.505 2.794 20 0 DFADRP C[C@H](C[NH2+]C1CCC2(CC1)c1ccccc1NC2=O)C[NH+](C)C ZINC000293805690 279346163 /nfs/dbraw/zinc/34/61/63/279346163.db2.gz VHLNMCPUAGYWBO-TZGCNFNXSA-N 2 0 315.461 2.606 20 0 DFADRP CCc1nc2ccccc2n1CC[NH2+]Cc1cnc(CC)nc1 ZINC000666245494 431162161 /nfs/dbraw/zinc/16/21/61/431162161.db2.gz IDVACXSDXWQOGH-UHFFFAOYSA-N 2 0 309.417 2.741 20 0 DFADRP CC(C)[N@H+](C)Cc1cccc(CNC(=O)[C@@H]2[NH2+]CCC2(C)C)c1 ZINC000662695270 431165084 /nfs/dbraw/zinc/16/50/84/431165084.db2.gz IYIDIBSOFZATKZ-KRWDZBQOSA-N 2 0 317.477 2.531 20 0 DFADRP CCC[N@@H+]1CC[C@@H](NC(=O)CC[C@@H]([NH3+])CC2CCCCC2)C1 ZINC000662704284 431167422 /nfs/dbraw/zinc/16/74/22/431167422.db2.gz YHGYSKCIJPHBBF-IAGOWNOFSA-N 2 0 309.498 2.665 20 0 DFADRP CCCOc1cc(C[NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)ccc1OC ZINC000655825277 431171627 /nfs/dbraw/zinc/17/16/27/431171627.db2.gz BRVCHTRXYMQFFL-IYBDPMFKSA-N 2 0 306.450 2.914 20 0 DFADRP Cn1cc(C[NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)c(C2CCCCC2)n1 ZINC000655827042 431171653 /nfs/dbraw/zinc/17/16/53/431171653.db2.gz OIXFBBZBUHALRH-KDYLLFBJSA-N 2 0 304.482 2.898 20 0 DFADRP C[NH+](C)[C@H]1C[C@@H](C[NH2+]Cc2csc(Br)c2)C1 ZINC000655826980 431171724 /nfs/dbraw/zinc/17/17/24/431171724.db2.gz KXIVYTUVZPXIQT-JGZJWPJOSA-N 2 0 303.269 2.940 20 0 DFADRP C[NH+](C)[C@H]1C[C@@H](C[NH2+]Cc2cc(O)ccc2Br)C1 ZINC000655827561 431173869 /nfs/dbraw/zinc/17/38/69/431173869.db2.gz UCYYXAGXAVWHAI-KLPPZKSPSA-N 2 0 313.239 2.585 20 0 DFADRP CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)C2([NH3+])CC3(CCC3)C2)C1 ZINC000662730129 431178272 /nfs/dbraw/zinc/17/82/72/431178272.db2.gz SCBPPFVHOSRHQV-HNNXBMFYSA-N 2 0 321.509 2.665 20 0 DFADRP C[NH+]1CCC2(CC1)C[N@H+](CCCCc1ccccc1)CCO2 ZINC000646105787 431189480 /nfs/dbraw/zinc/18/94/80/431189480.db2.gz HSUDQTCUXSBATE-UHFFFAOYSA-N 2 0 302.462 2.806 20 0 DFADRP Cc1cc(C[NH+](C)C)cc(NC(=O)c2cccc3c2CC[NH2+]C3)c1 ZINC000662796188 431197767 /nfs/dbraw/zinc/19/77/67/431197767.db2.gz WHQIFYRRYYHMEA-UHFFFAOYSA-N 2 0 323.440 2.955 20 0 DFADRP CN(C[C@H]1CCC[NH+]1C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000649545433 431153149 /nfs/dbraw/zinc/15/31/49/431153149.db2.gz FAEJTDZOVCYNBO-RBUKOAKNSA-N 2 0 301.478 2.535 20 0 DFADRP C[NH+](C)[C@H]1C[C@@H](C[NH2+][C@@H]2CN(Cc3ccccc3)C(C)(C)C2)C1 ZINC000655802509 431155383 /nfs/dbraw/zinc/15/53/83/431155383.db2.gz DPFKEYMGELPQEP-GBESFXJTSA-N 2 0 315.505 2.969 20 0 DFADRP Cn1ccc([C@@H]([NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)c2ccc(F)cc2)n1 ZINC000655806108 431156257 /nfs/dbraw/zinc/15/62/57/431156257.db2.gz ZEEBZLJGKWRNAL-XCRHUMRWSA-N 2 0 316.424 2.578 20 0 DFADRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H](C)[C@H]2CC2(F)F)[C@H](C)C1 ZINC000666228925 431157679 /nfs/dbraw/zinc/15/76/79/431157679.db2.gz ZJUKJLKWKADNIC-TUVASFSCSA-N 2 0 304.425 2.757 20 0 DFADRP C[C@@H]1CCC[C@H]([NH+]2CCC([NH2+]C[C@H]3C[C@@H]([NH+](C)C)C3)CC2)C1 ZINC000655806296 431158154 /nfs/dbraw/zinc/15/81/54/431158154.db2.gz UPERZCQLRZHOPF-FPAYPSAMSA-N 3 0 307.526 2.959 20 0 DFADRP [NH3+]CC1(CC(=O)N[C@@H]2CC[N@@H+](C3CCCCC3)C2)CCCCC1 ZINC000662668676 431158402 /nfs/dbraw/zinc/15/84/02/431158402.db2.gz PAZCKKCPLZBVMY-MRXNPFEDSA-N 2 0 321.509 2.809 20 0 DFADRP C[C@@H](c1ccccc1)N1CC[C@@H]([NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)C1 ZINC000655806146 431158520 /nfs/dbraw/zinc/15/85/20/431158520.db2.gz PSHACOKRVJFBOE-RNIPGJKVSA-N 2 0 301.478 2.752 20 0 DFADRP C[NH+](C)Cc1cccc(NC(=O)C[C@@H]2[NH2+]Cc3ccccc32)c1 ZINC000662682135 431160122 /nfs/dbraw/zinc/16/01/22/431160122.db2.gz GAPSUNXTRVXQLT-SFHVURJKSA-N 2 0 309.413 2.921 20 0 DFADRP CC[NH+](CC)[C@@H](CNC(=O)[C@@H]1[NH2+]CCC1(C)C)c1ccsc1 ZINC000662678848 431160271 /nfs/dbraw/zinc/16/02/71/431160271.db2.gz JYTQJFPHIIFIDA-GJZGRUSLSA-N 2 0 323.506 2.635 20 0 DFADRP C[C@@H]1C[C@H](C)C[N@@H+](CCN2CCC[NH+](C3CCCC3)CC2)C1 ZINC000659946020 431204110 /nfs/dbraw/zinc/20/41/10/431204110.db2.gz YTTDRDIKDRHKSN-HDICACEKSA-N 2 0 307.526 2.915 20 0 DFADRP C[NH+](C)[C@H](CNC(=O)CC[C@@H]1CCC[NH2+]1)c1ccc(Cl)cc1 ZINC000646138623 431205548 /nfs/dbraw/zinc/20/55/48/431205548.db2.gz OEHYSTQWPLVOMK-JKSUJKDBSA-N 2 0 323.868 2.591 20 0 DFADRP C[C@H]1CCCC[N@@H+]1CCC1CCN(C(=O)[C@@H]2CCC[C@@H]2[NH3+])CC1 ZINC000662824086 431206736 /nfs/dbraw/zinc/20/67/36/431206736.db2.gz AXNJWSNLWJAHBV-JQHSSLGASA-N 2 0 321.509 2.617 20 0 DFADRP CC(C)(C)[N@@H+]1CC[C@H](CNC(=O)[C@@H]([NH3+])c2cccc(Cl)c2)C1 ZINC000662845759 431213652 /nfs/dbraw/zinc/21/36/52/431213652.db2.gz KOYPONXPBDCFAU-DOMZBBRYSA-N 2 0 323.868 2.576 20 0 DFADRP CO[C@](C)([C@@H](C)[NH2+]Cc1ccc(OCC[NH+](C)C)cc1)C1CC1 ZINC000666418926 431221416 /nfs/dbraw/zinc/22/14/16/431221416.db2.gz ITBJROQMDFEWQC-DNVCBOLYSA-N 2 0 320.477 2.920 20 0 DFADRP CC[C@H]1C[N@@H+]2CCCC[C@@H]2CN1C(=O)CC1(C[NH3+])CCCCC1 ZINC000646193827 431222198 /nfs/dbraw/zinc/22/21/98/431222198.db2.gz BAWBGPHSAAZCLB-DLBZAZTESA-N 2 0 321.509 2.761 20 0 DFADRP CC(C)[C@@H]1C[N@H+](Cc2ccc(OCC[NH+](C)C)cc2)CCCO1 ZINC000646299620 431258292 /nfs/dbraw/zinc/25/82/92/431258292.db2.gz BUOWESYVDTUHGS-IBGZPJMESA-N 2 0 320.477 2.874 20 0 DFADRP CCC(C)(C)[NH+]1CCN(C[C@@H](C[NH3+])c2ccc(OC)cc2)CC1 ZINC000655945946 431226161 /nfs/dbraw/zinc/22/61/61/431226161.db2.gz IEUWMEYGCFEJLC-QGZVFWFLSA-N 2 0 319.493 2.544 20 0 DFADRP CC[NH+](CC)[C@H](CNC(=O)[C@H]1CCC[NH2+]CC1)c1ccccc1 ZINC000653043217 431240283 /nfs/dbraw/zinc/24/02/83/431240283.db2.gz HYUHCLLZRKHDIX-ZWKOTPCHSA-N 2 0 317.477 2.575 20 0 DFADRP C[NH+](C)CC[C@H](N)C(=O)NCC1(C2CCCCC2)CCCCC1 ZINC000653158949 431286399 /nfs/dbraw/zinc/28/63/99/431286399.db2.gz QCZGWPSARVCXGN-KRWDZBQOSA-N 2 0 323.525 2.912 20 0 DFADRP C[N@H+](C[C@@H]1CC[C@H]2C[C@H]2C1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000660140647 431288162 /nfs/dbraw/zinc/28/81/62/431288162.db2.gz MTJYXBDHXJSTMN-NTDBWNAOSA-N 2 0 305.510 2.523 20 0 DFADRP CC(C)C[N@H+](C)CCCNC(=O)C(C)(C)[C@@H]([NH3+])c1ccccc1 ZINC000653176118 431293495 /nfs/dbraw/zinc/29/34/95/431293495.db2.gz KNROBPHAQPEGEG-KRWDZBQOSA-N 2 0 319.493 2.807 20 0 DFADRP CC[C@H](CC(F)F)C[N@@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000660152594 431294578 /nfs/dbraw/zinc/29/45/78/431294578.db2.gz AUCKSFQVSBQQIR-BZUAXINKSA-N 2 0 317.468 2.626 20 0 DFADRP [NH3+][C@H]1CCC[C@@H]([NH2+]Cc2cccc(NC(=O)C3CCC3)c2)C1 ZINC000656193864 431302314 /nfs/dbraw/zinc/30/23/14/431302314.db2.gz WECOQOJZUPLWLR-JKSUJKDBSA-N 2 0 301.434 2.785 20 0 DFADRP C[C@H]([NH2+][C@H]1CCC[C@H]([NH3+])C1)c1ccc(NC(=O)C2CC2)cc1 ZINC000656196919 431304195 /nfs/dbraw/zinc/30/41/95/431304195.db2.gz VWABQPJKOWUPLI-NUTKFTJISA-N 2 0 301.434 2.956 20 0 DFADRP CC[N@H+](CCCNC(=O)[C@H]1CCC[C@@H]([NH3+])C1)C1CCCCC1 ZINC000653200889 431306228 /nfs/dbraw/zinc/30/62/28/431306228.db2.gz TTYCIMUJRTWMKL-JKSUJKDBSA-N 2 0 309.498 2.665 20 0 DFADRP COC[C@@H](CC(C)(C)C)[NH2+]Cc1cc(C2CC[NH2+]CC2)no1 ZINC000656202165 431306290 /nfs/dbraw/zinc/30/62/90/431306290.db2.gz ZGJCYSIDRWUMFK-CQSZACIVSA-N 2 0 309.454 2.682 20 0 DFADRP CC[N@H+](CCCNC(=O)[C@H](C(C)C)[C@H](C)[NH3+])C1CCCCC1 ZINC000653200633 431306715 /nfs/dbraw/zinc/30/67/15/431306715.db2.gz KZAJUVBXPNHEGX-DOTOQJQBSA-N 2 0 311.514 2.767 20 0 DFADRP COc1c(C)ncnc1NCCC[N@@H+]1CCc2ccccc2C1 ZINC000656107986 431263330 /nfs/dbraw/zinc/26/33/30/431263330.db2.gz HNRXXTSLFFVLRQ-UHFFFAOYSA-N 2 0 312.417 2.654 20 0 DFADRP CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)[C@@H]2CC[C@H](C3CC3)[NH2+]2)C1 ZINC000653119522 431271435 /nfs/dbraw/zinc/27/14/35/431271435.db2.gz MNCJMUZOBAOYOA-OIISXLGYSA-N 2 0 321.509 2.534 20 0 DFADRP C[C@H]([NH3+])[C@H](C)C(=O)Nc1ccc(SCC[NH+]2CCCC2)cc1 ZINC000653253058 431336981 /nfs/dbraw/zinc/33/69/81/431336981.db2.gz FQAQFKRJILMRHL-KBPBESRZSA-N 2 0 321.490 2.796 20 0 DFADRP O=C(Nc1ccc(SCC[NH+]2CCCC2)cc1)[C@@H]1CCC[NH2+]1 ZINC000653253140 431337025 /nfs/dbraw/zinc/33/70/25/431337025.db2.gz IBPNCFCWGZWSPL-INIZCTEOSA-N 2 0 319.474 2.565 20 0 DFADRP C[C@@H]1C[C@@H]([NH3+])CCN1Cc1cnn(Cc2ccccc2Cl)c1 ZINC000653279480 431349684 /nfs/dbraw/zinc/34/96/84/431349684.db2.gz HAWUBHVPHRRRDA-CJNGLKHVSA-N 2 0 318.852 2.896 20 0 DFADRP Fc1ccc(CC[NH+]2CCC(NC[C@@H]3CCCC[NH2+]3)CC2)cc1 ZINC000666770265 431350781 /nfs/dbraw/zinc/35/07/81/431350781.db2.gz QNSFIWPYYQBFRS-IBGZPJMESA-N 2 0 319.468 2.564 20 0 DFADRP Cc1ccc(NC(=O)C[C@@H](C)NC[C@@H]2CCCC[NH2+]2)c(C)c1 ZINC000666770201 431352097 /nfs/dbraw/zinc/35/20/97/431352097.db2.gz OWRVSNSUXHLHDL-CVEARBPZSA-N 2 0 303.450 2.752 20 0 DFADRP CCC[N@H+](CC)Cc1ccc(C(=O)NC[C@H]2CCCC[NH2+]2)cc1 ZINC000646651060 431359635 /nfs/dbraw/zinc/35/96/35/431359635.db2.gz QHILJBCJADEIAJ-GOSISDBHSA-N 2 0 317.477 2.790 20 0 DFADRP Fc1ccc(C[NH2+][C@H]2CC23CC[NH2+]CC3)cc1Br ZINC000666950963 431418722 /nfs/dbraw/zinc/41/87/22/431418722.db2.gz UCWWJRWCCGLEPH-ZDUSSCGKSA-N 2 0 313.214 2.820 20 0 DFADRP CC[N@H+](C)C[C@@H](O)C[NH+]1CCC[C@@H](Cc2ccc(C)cc2)C1 ZINC000653525838 431419865 /nfs/dbraw/zinc/41/98/65/431419865.db2.gz INIBHCIDVBNFDU-RBUKOAKNSA-N 2 0 304.478 2.562 20 0 DFADRP Cc1ccc(NC(=O)C[C@@H](C)[NH2+][C@@H]2CC23CC[NH2+]CC3)c(C)c1 ZINC000666954270 431422668 /nfs/dbraw/zinc/42/26/68/431422668.db2.gz SUGGJLIDAUXMDV-NVXWUHKLSA-N 2 0 315.461 2.752 20 0 DFADRP Cc1cccc(NC(=O)C[C@@H](C)[NH2+][C@@H]2CC23CC[NH2+]CC3)c1C ZINC000666953915 431422833 /nfs/dbraw/zinc/42/28/33/431422833.db2.gz KYCNZMNCTAQTCF-RHSMWYFYSA-N 2 0 315.461 2.752 20 0 DFADRP C[C@@H]1C[N@@H+](CCCC[NH2+][C@@H]2CCCC23CCOCC3)C[C@H](C)O1 ZINC000367066095 288160079 /nfs/dbraw/zinc/16/00/79/288160079.db2.gz LODQSPCBRBWGOC-FGTMMUONSA-N 2 0 324.509 2.815 20 0 DFADRP C[N@H+](CC1CC=CC1)C[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000660334439 431385975 /nfs/dbraw/zinc/38/59/75/431385975.db2.gz MCRDWLBMKNLAHG-IBGZPJMESA-N 2 0 300.446 2.521 20 0 DFADRP C[C@H](c1ccccc1)[C@@H](O)C[NH2+]CC1CC[NH+](CC2CC2)CC1 ZINC000663374824 431392372 /nfs/dbraw/zinc/39/23/72/431392372.db2.gz OSBIRXJYOSHWNJ-UZLBHIALSA-N 2 0 316.489 2.863 20 0 DFADRP Cn1cncc1CCC[NH+]1CCC(C[NH+]2CCCCCC2)CC1 ZINC000653493080 431399547 /nfs/dbraw/zinc/39/95/47/431399547.db2.gz JDZMOYCZMLDHAN-UHFFFAOYSA-N 2 0 318.509 2.941 20 0 DFADRP C[NH+](C)Cc1ccc(-c2noc([C@@H]3C[C@@]34CCC[NH2+]C4)n2)cc1 ZINC000653490544 431401024 /nfs/dbraw/zinc/40/10/24/431401024.db2.gz MUOVMTUQCHHFMZ-MAUKXSAKSA-N 2 0 312.417 2.655 20 0 DFADRP C[NH2+]Cc1ccc(NCc2ccc(OCC[NH+](C)C)cc2)cc1 ZINC000666906959 431403709 /nfs/dbraw/zinc/40/37/09/431403709.db2.gz RXZOBQQUPVDPGX-UHFFFAOYSA-N 2 0 313.445 2.959 20 0 DFADRP Cc1nn2c(C[NH2+]C[C@@H]3CCC[C@@H]([NH3+])C3)c(C(C)C)nc2s1 ZINC000666921123 431405268 /nfs/dbraw/zinc/40/52/68/431405268.db2.gz YQBRGCQFLNGMCK-CHWSQXEVSA-N 2 0 321.494 2.830 20 0 DFADRP c1ccc2c(c1)CCO[C@H]2C[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000656499615 431410095 /nfs/dbraw/zinc/41/00/95/431410095.db2.gz HOMIPMNOINEHBF-FQEVSTJZSA-N 2 0 323.440 2.954 20 0 DFADRP Cc1ccccc1NC(=O)C[C@@H](C)[NH2+][C@H]1CC[NH2+]C2(CCC2)C1 ZINC000666995186 431438062 /nfs/dbraw/zinc/43/80/62/431438062.db2.gz FOWWSQSXLSZTLH-CVEARBPZSA-N 2 0 315.461 2.976 20 0 DFADRP Cc1ccc(C[NH2+]CC[C@@H]([NH3+])C(C)C)c(-c2ccnn2C)c1 ZINC000663501860 431446097 /nfs/dbraw/zinc/44/60/97/431446097.db2.gz BGJXIPJVFYCARI-QGZVFWFLSA-N 2 0 300.450 2.859 20 0 DFADRP CC[C@H]1CCC[C@@H](C[NH2+]C2CCN(C(=O)CCC[NH2+]C)CC2)C1 ZINC000663505109 431449021 /nfs/dbraw/zinc/44/90/21/431449021.db2.gz DNWIUYMWWGLJAT-DLBZAZTESA-N 2 0 323.525 2.783 20 0 DFADRP COc1cccc([C@H](C)[N@@H+]2CCC[C@H](N3CCOCC3)CC2)c1 ZINC000660475950 431449523 /nfs/dbraw/zinc/44/95/23/431449523.db2.gz ZZLJUSIVBHIMDV-WMZOPIPTSA-N 2 0 318.461 2.943 20 0 DFADRP C[NH2+]CCCC(=O)N1CCC([NH2+]CCC2CCCCCC2)CC1 ZINC000663506852 431452210 /nfs/dbraw/zinc/45/22/10/431452210.db2.gz VYNQMWPUURTWEV-UHFFFAOYSA-N 2 0 323.525 2.927 20 0 DFADRP CCc1ccccc1[C@@H]([NH3+])CNC(=O)CC[C@H]1CCCC[N@@H+]1C ZINC000647084389 431456061 /nfs/dbraw/zinc/45/60/61/431456061.db2.gz WPVZNUQWDGXZGG-AEFFLSMTSA-N 2 0 317.477 2.630 20 0 DFADRP CC[NH+](CC)Cc1ccc(C(=O)N2[C@H](C)CN(C)[C@@H](C)[C@H]2C)o1 ZINC000650150335 431457586 /nfs/dbraw/zinc/45/75/86/431457586.db2.gz SYMZSZWNUGAIJZ-QLFBSQMISA-N 2 0 321.465 2.675 20 0 DFADRP Cn1cncc1CCC[N@@H+]1CC[C@@H](Oc2cccc(F)c2)C1 ZINC000653613415 431460839 /nfs/dbraw/zinc/46/08/39/431460839.db2.gz JMQZAQMDELRNLM-QGZVFWFLSA-N 2 0 303.381 2.645 20 0 DFADRP COc1cccc(C[NH+]2CCC([C@H]3C[C@H]([NH3+])CCO3)CC2)c1F ZINC000667054051 431462223 /nfs/dbraw/zinc/46/22/23/431462223.db2.gz BSOIZRQMGUWVIL-NVXWUHKLSA-N 2 0 322.424 2.553 20 0 DFADRP CC(C)C[C@@H]([NH3+])c1noc(C2(c3ccccc3)CC[NH2+]CC2)n1 ZINC000647129886 431469028 /nfs/dbraw/zinc/46/90/28/431469028.db2.gz HYRIBQVTCJACRW-OAHLLOKOSA-N 2 0 314.433 2.785 20 0 DFADRP CC[C@@H]([NH2+]CCN(C)CCC[NH+](C)C)c1ccc(F)cc1F ZINC000656681788 431472793 /nfs/dbraw/zinc/47/27/93/431472793.db2.gz LJIKKRUCPYRACT-QGZVFWFLSA-N 2 0 313.436 2.889 20 0 DFADRP C[C@@H]([NH2+]CC1CC[NH+](C2CCOCC2)CC1)c1ccncc1 ZINC000656679494 431474464 /nfs/dbraw/zinc/47/44/64/431474464.db2.gz XOSOBPCZQKHERH-OAHLLOKOSA-N 2 0 303.450 2.623 20 0 DFADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1nc([C@H]2CCC[NH2+]2)no1 ZINC000647144817 431476323 /nfs/dbraw/zinc/47/63/23/431476323.db2.gz GQZSBIJDGQIMCL-FVQBIDKESA-N 2 0 312.417 2.730 20 0 DFADRP CC[N@H+](C)[C@H](C(=O)NCCC[NH+](C)CC(C)C)c1ccccc1 ZINC000650180386 431479526 /nfs/dbraw/zinc/47/95/26/431479526.db2.gz SBLGHHNMHSNPKK-SFHVURJKSA-N 2 0 319.493 2.774 20 0 DFADRP [NH3+]C[C@H]1CC[C@@H]([NH2+]Cc2cnn(Cc3ccccc3Cl)c2)C1 ZINC000666962219 431426729 /nfs/dbraw/zinc/42/67/29/431426729.db2.gz RRXHWDAPUCFZBP-XJKSGUPXSA-N 2 0 318.852 2.802 20 0 DFADRP c1cc2c(cc[nH+]c2N2CC[C@H](OCC[NH+]3CCCCC3)C2)[nH]1 ZINC000663731309 431516499 /nfs/dbraw/zinc/51/64/99/431516499.db2.gz JCGZZJJORDCSNY-HNNXBMFYSA-N 2 0 314.433 2.644 20 0 DFADRP Cc1ccc2ncc(C[NH+]3CCC([C@@H]4CCC[NH2+]C4)CC3)n2c1 ZINC000656784516 431519715 /nfs/dbraw/zinc/51/97/15/431519715.db2.gz BPCOCFBYBFPEND-QGZVFWFLSA-N 2 0 312.461 2.854 20 0 DFADRP CCN(C)c1ccc(C[N@@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)cn1 ZINC000656783358 431520138 /nfs/dbraw/zinc/52/01/38/431520138.db2.gz PWJALFULLALBTF-SFHVURJKSA-N 2 0 316.493 2.749 20 0 DFADRP c1cc(C[N@@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)cc2c1OCC2 ZINC000656783897 431520179 /nfs/dbraw/zinc/52/01/79/431520179.db2.gz BCNGMTIHNOSSTA-GOSISDBHSA-N 2 0 300.446 2.833 20 0 DFADRP Cc1nn(C(C)C)cc1C[N@@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000656782406 431520500 /nfs/dbraw/zinc/52/05/00/431520500.db2.gz GAVFFRCMSQKRAC-KRWDZBQOSA-N 2 0 304.482 2.984 20 0 DFADRP Clc1ccccc1N1CC[C@H](C[NH2+]CC2CC[NH2+]CC2)C1 ZINC000656787389 431521926 /nfs/dbraw/zinc/52/19/26/431521926.db2.gz JYEBFIDTDSMLDQ-OAHLLOKOSA-N 2 0 307.869 2.756 20 0 DFADRP c1ccc([C@H]2CC[NH2+]C[C@H]2NCc2ccc3c(c2)C[NH2+]CC3)cc1 ZINC000656789487 431524825 /nfs/dbraw/zinc/52/48/25/431524825.db2.gz OSOSITXFMAJGTE-NHCUHLMSSA-N 2 0 321.468 2.568 20 0 DFADRP CC[C@@H](Cc1ccc(OC)c(OC)c1)[NH2+]CC1([NH3+])CCCC1 ZINC000656789734 431525279 /nfs/dbraw/zinc/52/52/79/431525279.db2.gz WQVZQAIVFWDGDJ-HNNXBMFYSA-N 2 0 306.450 2.886 20 0 DFADRP c1cc([C@@H]2C[NH2+]CCO2)ccc1NC1CC[NH+](CC2CC2)CC1 ZINC000656792594 431525779 /nfs/dbraw/zinc/52/57/79/431525779.db2.gz MBKFOBOXCLLXIE-IBGZPJMESA-N 2 0 315.461 2.634 20 0 DFADRP CC[C@@H]1C[C@@H]([NH2+]C[C@@H]2C[N@H+](C)C[C@H]2c2ccccc2)CCO1 ZINC000647249140 431528028 /nfs/dbraw/zinc/52/80/28/431528028.db2.gz DRBUQBJMUPLIAL-HCXYKTFWSA-N 2 0 302.462 2.879 20 0 DFADRP C[C@H](C(=O)N1[C@H](C)CCC[C@@H]1C)N1CCC[C@@]2(CC[N@H+](C)C2)C1 ZINC000660651491 431528778 /nfs/dbraw/zinc/52/87/78/431528778.db2.gz AMMNRYRRJTUBAA-NTDBWNAOSA-N 2 0 321.509 2.582 20 0 DFADRP CC[C@H](c1ccccc1OC)N(C)C[C@H](O)C[N@H+](C)C(C)C ZINC000660559252 431489734 /nfs/dbraw/zinc/48/97/34/431489734.db2.gz VLIBUOVYKVBQCL-NVXWUHKLSA-N 2 0 308.466 2.779 20 0 DFADRP Cc1ccc(-c2nn(C)cc2C[NH2+]CCC2CC[NH+](C)CC2)o1 ZINC000647179761 431496202 /nfs/dbraw/zinc/49/62/02/431496202.db2.gz NVGFMBPQKQINMQ-UHFFFAOYSA-N 2 0 316.449 2.810 20 0 DFADRP CCN(C)C[C@@H](O)C[N@@H+]1C[C@@H](c2ccccc2)C2(CCC2)C1 ZINC000653762169 431515263 /nfs/dbraw/zinc/51/52/63/431515263.db2.gz YYAQTPDWZMGZSF-MSOLQXFVSA-N 2 0 302.462 2.569 20 0 DFADRP CC(C)c1ccc(C[N@H+](C)CC2CC[NH+](C)CC2)c(O)c(=O)c1 ZINC000663828333 431557280 /nfs/dbraw/zinc/55/72/80/431557280.db2.gz QQFWECDTGYSSPJ-UHFFFAOYSA-N 2 0 318.461 2.649 20 0 DFADRP CC[C@@H]([NH2+]C[C@@H]1C[N@H+](C)C[C@H]1c1ccccc1)c1cnn(C)c1 ZINC000647344009 431558312 /nfs/dbraw/zinc/55/83/12/431558312.db2.gz HNNFDVALCXXIJO-NZSAHSFTSA-N 2 0 312.461 2.806 20 0 DFADRP COC[C@@H](CC(C)C)[NH2+]C[C@@H]1C[N@H+](C)C[C@H]1c1ccccc1 ZINC000647344528 431558632 /nfs/dbraw/zinc/55/86/32/431558632.db2.gz SUMZIHITCDCHJC-QRVBRYPASA-N 2 0 304.478 2.983 20 0 DFADRP C[N@@H+]1CC[C@@]2(C1)CCC[NH+](CCc1ccc3c(c1)CCO3)C2 ZINC000660659324 431537751 /nfs/dbraw/zinc/53/77/51/431537751.db2.gz OCXFLORAKIWUKO-LJQANCHMSA-N 2 0 300.446 2.582 20 0 DFADRP COc1cncc(/C=C/CC[N@@H+]2CCC[C@]3(CC[NH+](C)C3)C2)c1 ZINC000660662412 431538709 /nfs/dbraw/zinc/53/87/09/431538709.db2.gz KAIKANAVIDGEKM-MTGFJVSHSA-N 2 0 315.461 2.911 20 0 DFADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CSc3ccccc3O2)[C@H](C)C1 ZINC000647314135 431546483 /nfs/dbraw/zinc/54/64/83/431546483.db2.gz YZAFPDATLCXJOG-KFWWJZLASA-N 2 0 306.475 2.860 20 0 DFADRP CC[N@@H+]1CC[C@@H]([NH2+][C@@H]2CCO[C@@H](c3cccnc3)C2)[C@H](C)C1 ZINC000647339158 431555646 /nfs/dbraw/zinc/55/56/46/431555646.db2.gz JYXCCCKZMFLKLZ-VDHUWJSZSA-N 2 0 303.450 2.622 20 0 DFADRP CC[C@@H](c1ccccc1F)[N@@H+]1CC[C@H](N2CC[NH+](CC)CC2)C1 ZINC000368799234 280218837 /nfs/dbraw/zinc/21/88/37/280218837.db2.gz VNWCXDPZJNNSKA-LPHOPBHVSA-N 2 0 319.468 2.989 20 0 DFADRP CC(C)[C@H](Cc1ccc(F)cc1)[NH2+][C@@H](C)CN1CC[NH+](C)CC1 ZINC000155018341 280268583 /nfs/dbraw/zinc/26/85/83/280268583.db2.gz FUWCGHGGMFENOP-LPHOPBHVSA-N 2 0 321.484 2.618 20 0 DFADRP O=c1[nH]c2ccccc2cc1C[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000647480621 431604190 /nfs/dbraw/zinc/60/41/90/431604190.db2.gz VHMZCPHSIBOVSG-NVXWUHKLSA-N 2 0 311.429 2.904 20 0 DFADRP Cn1cncc1CCC[NH2+][C@H](Cc1ccccc1)c1ncco1 ZINC000653912278 431581820 /nfs/dbraw/zinc/58/18/20/431581820.db2.gz GRZODXKDECOGLY-QGZVFWFLSA-N 2 0 310.401 2.914 20 0 DFADRP CC[C@H](C[NH2+]C(C)(C)CN1CC[NH+](CC)CC1)CC(F)F ZINC000660755262 431582723 /nfs/dbraw/zinc/58/27/23/431582723.db2.gz YSGUASFQGDJHQV-AWEZNQCLSA-N 2 0 305.457 2.674 20 0 DFADRP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCC[N@H+](Cc3csc(C4CC4)n3)C2)C1 ZINC000650707007 431652591 /nfs/dbraw/zinc/65/25/91/431652591.db2.gz WUFNUKZMHGNEMZ-IIAWOOMASA-N 2 0 321.490 2.739 20 0 DFADRP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCC[N@H+](Cc3cc(F)ccc3F)C2)C1 ZINC000650706631 431652757 /nfs/dbraw/zinc/65/27/57/431652757.db2.gz OSCJVWXTBRYCTR-XGWLTEMNSA-N 2 0 310.388 2.683 20 0 DFADRP [NH3+][C@H]1CCO[C@@H](C2CC[NH+](Cc3cccc4c3CCC4)CC2)C1 ZINC000650704145 431654162 /nfs/dbraw/zinc/65/41/62/431654162.db2.gz KAAZMTDFFZFQNS-AZUAARDMSA-N 2 0 314.473 2.894 20 0 DFADRP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCC[N@H+](Cc3ccc4c(c3)CCC4)C2)C1 ZINC000650706397 431655066 /nfs/dbraw/zinc/65/50/66/431655066.db2.gz JRRLORKYYZXBPK-XUVXKRRUSA-N 2 0 314.473 2.894 20 0 DFADRP Cc1ccc(-c2n[nH]cc2C[N@@H+]2C[C@@H]3CCC[C@]3(C[NH3+])C2)o1 ZINC000650709511 431655798 /nfs/dbraw/zinc/65/57/98/431655798.db2.gz CKXJPZLNJXOHIT-YOEHRIQHSA-N 2 0 300.406 2.539 20 0 DFADRP Cc1ccc(C[N@@H+]2C[C@@H]3CCC[C@]3(C[NH3+])C2)c(-c2ccnn2C)c1 ZINC000650709521 431656117 /nfs/dbraw/zinc/65/61/17/431656117.db2.gz DHRKGIYTKLDGOJ-PXNSSMCTSA-N 2 0 324.472 2.956 20 0 DFADRP Cc1cc(C[N@H+]2CCC[C@H](C)[C@H]2CC[NH3+])ccc1-n1cncn1 ZINC000650711012 431656570 /nfs/dbraw/zinc/65/65/70/431656570.db2.gz GHVJVOWTMWXUQG-WMLDXEAASA-N 2 0 313.449 2.525 20 0 DFADRP C[C@@H]1CCC[N@H+](Cc2ccc(C(=O)NC3CC3)cc2)[C@@H]1CC[NH3+] ZINC000650710888 431656800 /nfs/dbraw/zinc/65/68/00/431656800.db2.gz BTQNNKCEQYCMMN-RDTXWAMCSA-N 2 0 315.461 2.528 20 0 DFADRP C[C@@H]1CCC[N@H+](Cc2cccc3c2OCCCO3)[C@@H]1CC[NH3+] ZINC000650711026 431657173 /nfs/dbraw/zinc/65/71/73/431657173.db2.gz GOYKEANZEWAESZ-GDBMZVCRSA-N 2 0 304.434 2.797 20 0 DFADRP Cc1cc(C[N@H+]2CCC[C@@H](C)[C@H]2CC[NH3+])ccc1-n1cncn1 ZINC000650711011 431658155 /nfs/dbraw/zinc/65/81/55/431658155.db2.gz GHVJVOWTMWXUQG-RHSMWYFYSA-N 2 0 313.449 2.525 20 0 DFADRP [NH3+]CC1(CC[NH2+]Cc2cnn(-c3ccc(Cl)cc3)c2)CC1 ZINC000650712638 431658678 /nfs/dbraw/zinc/65/86/78/431658678.db2.gz MVQRMBWAOZUCMC-UHFFFAOYSA-N 2 0 304.825 2.744 20 0 DFADRP CCO[C@@H]1CN(Cc2ncc(-c3ccccc3)s2)C[C@H]1C[NH3+] ZINC000650714543 431659361 /nfs/dbraw/zinc/65/93/61/431659361.db2.gz MRANXTHLJBFEJN-HUUCEWRRSA-N 2 0 317.458 2.606 20 0 DFADRP CCc1ccccc1NC(=O)C[C@H](C)[NH2+]CCC1(C[NH3+])CC1 ZINC000650713115 431660123 /nfs/dbraw/zinc/66/01/23/431660123.db2.gz GOHKQNQHFCWPRY-AWEZNQCLSA-N 2 0 303.450 2.685 20 0 DFADRP [NH3+]CC1(CC[NH2+]Cc2cccc(OCc3ccccn3)c2)CC1 ZINC000650712750 431660360 /nfs/dbraw/zinc/66/03/60/431660360.db2.gz SMDRNAJIKQICLZ-UHFFFAOYSA-N 2 0 311.429 2.879 20 0 DFADRP COc1cccc(-c2n[nH]cc2C[NH+]2CCC([C@@H](C)[NH3+])CC2)c1 ZINC000647492120 431605550 /nfs/dbraw/zinc/60/55/50/431605550.db2.gz GDDVJELQBFRLJK-CYBMUJFWSA-N 2 0 314.433 2.645 20 0 DFADRP CCCCOc1ccc(C[N@@H+]2C[C@@H](C[NH3+])[C@H](OCC)C2)cc1 ZINC000650715214 431662075 /nfs/dbraw/zinc/66/20/75/431662075.db2.gz VBWWHPABZVWWDT-SJLPKXTDSA-N 2 0 306.450 2.661 20 0 DFADRP COc1cccc(-c2n[nH]cc2C[N@@H+]2CCC[C@@H]([C@@H](C)[NH3+])C2)c1 ZINC000647496842 431607055 /nfs/dbraw/zinc/60/70/55/431607055.db2.gz XUVWSNOGDAJOGY-UKRRQHHQSA-N 2 0 314.433 2.645 20 0 DFADRP Cc1ccccc1C[N@@H+]1CCCN(C[C@H]2CCC[NH2+]C2)CC1 ZINC000647513946 431611192 /nfs/dbraw/zinc/61/11/92/431611192.db2.gz WMYBFDPYPFCBGE-SFHVURJKSA-N 2 0 301.478 2.502 20 0 DFADRP C[C@@H]1CCN(Cc2ccccc2)CC[N@@H+]1CC1CC[NH2+]CC1 ZINC000647515606 431611303 /nfs/dbraw/zinc/61/13/03/431611303.db2.gz PVYGOJUCOFZZDE-QGZVFWFLSA-N 2 0 301.478 2.582 20 0 DFADRP C[C@@]1(C[NH+]2CCC(OCc3ccc(F)cc3)CC2)CC[NH2+]C1 ZINC000647518443 431615755 /nfs/dbraw/zinc/61/57/55/431615755.db2.gz KHOOTVVDZZMLLA-GOSISDBHSA-N 2 0 306.425 2.806 20 0 DFADRP C[N@H+](Cc1ccccc1)CC(C)(C)CN1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000647533549 431618922 /nfs/dbraw/zinc/61/89/22/431618922.db2.gz UIJQPPTUIJUZAA-RTBURBONSA-N 2 0 315.505 2.828 20 0 DFADRP CC(C)(C)n1cc(C[N@@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)cn1 ZINC000647542761 431621203 /nfs/dbraw/zinc/62/12/03/431621203.db2.gz BNWGGKISVOBOTC-DLBZAZTESA-N 2 0 304.482 2.850 20 0 DFADRP Clc1cc(C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)cc2c1OCCO2 ZINC000647550393 431627544 /nfs/dbraw/zinc/62/75/44/431627544.db2.gz ONPDKALADVTHPG-MELADBBJSA-N 2 0 322.836 2.589 20 0 DFADRP C[C@H]([NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)c1noc(-c2ccccc2)n1 ZINC000647548702 431628339 /nfs/dbraw/zinc/62/83/39/431628339.db2.gz QERKMEDJFDBFRY-DRPJVOAASA-N 2 0 312.417 2.775 20 0 DFADRP CCOc1ccc(C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)cc1OC ZINC000647550232 431628926 /nfs/dbraw/zinc/62/89/26/431628926.db2.gz GRUPTQGBGILEKQ-HRCADAONSA-N 2 0 304.434 2.572 20 0 DFADRP CC[C@@H]1OCC[C@H]1[NH2+]Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000657245098 431635488 /nfs/dbraw/zinc/63/54/88/431635488.db2.gz XROYWAODXHWDTK-MOPGFXCFSA-N 2 0 318.461 2.818 20 0 DFADRP C[NH+](C)CC(C)(C)C[NH2+]Cc1ccc(O[C@@H]2CCOC2)cc1 ZINC000657286455 431648275 /nfs/dbraw/zinc/64/82/75/431648275.db2.gz XFCITJORZCRQDP-QGZVFWFLSA-N 2 0 306.450 2.532 20 0 DFADRP CC[NH+]1CCN([C@@H](C)C[NH2+]Cc2cc3c(cccc3C)[nH]2)CC1 ZINC000657309496 431665818 /nfs/dbraw/zinc/66/58/18/431665818.db2.gz DXUDXCKJPCXNEY-INIZCTEOSA-N 2 0 314.477 2.592 20 0 DFADRP CCc1nc(CN2CCCC[C@@H]2[C@@H]2C[C@H]([NH3+])CCO2)cs1 ZINC000650723757 431665842 /nfs/dbraw/zinc/66/58/42/431665842.db2.gz SXCMOIWYHKVZPB-YUELXQCFSA-N 2 0 309.479 2.566 20 0 DFADRP CC[NH+]1CCN(CCC[NH2+]Cc2cc3ccc(C)cc3[nH]2)CC1 ZINC000657308434 431666320 /nfs/dbraw/zinc/66/63/20/431666320.db2.gz SIYVGKPQFVSHCS-UHFFFAOYSA-N 2 0 314.477 2.594 20 0 DFADRP CCCC(=O)Nc1ccc(C[NH2+]Cc2cnc3n2CCC3)cc1 ZINC000657312047 431670054 /nfs/dbraw/zinc/67/00/54/431670054.db2.gz CWGDEYRAKGTLQQ-UHFFFAOYSA-N 2 0 312.417 2.858 20 0 DFADRP CC[C@H]([NH2+]Cc1cnc2n1CCC2)c1ccc2c(c1)OCCO2 ZINC000657324416 431675972 /nfs/dbraw/zinc/67/59/72/431675972.db2.gz RJWDBQUJTWJROA-HNNXBMFYSA-N 2 0 313.401 2.841 20 0 DFADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCC1(C[NH3+])CC1 ZINC000650744376 431675990 /nfs/dbraw/zinc/67/59/90/431675990.db2.gz MQUWYSHFEIFFAF-SJLPKXTDSA-N 3 0 301.478 2.616 20 0 DFADRP C[C@@H]1[C@@H]([NH2+]CCC2(C[NH3+])CC2)CCCN1Cc1ccccc1 ZINC000650747974 431677536 /nfs/dbraw/zinc/67/75/36/431677536.db2.gz KUVYSQWTVQJALG-AEFFLSMTSA-N 2 0 301.478 2.758 20 0 DFADRP Cc1noc(C2CCC([NH2+]Cc3ccc(C[NH3+])cc3F)CC2)n1 ZINC000650754566 431681575 /nfs/dbraw/zinc/68/15/75/431681575.db2.gz LSIKELBVSXQSCO-UHFFFAOYSA-N 2 0 318.396 2.792 20 0 DFADRP CC[N@@H+]1CCC[C@H](C[NH2+]Cc2ccc(O[C@H]3CCOC3)cc2)C1 ZINC000657337372 431682185 /nfs/dbraw/zinc/68/21/85/431682185.db2.gz SFIULJGGZPJSAC-MJGOQNOKSA-N 2 0 318.461 2.676 20 0 DFADRP COc1ccccc1C(C)(C)C[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000647785738 431684463 /nfs/dbraw/zinc/68/44/63/431684463.db2.gz DSCWQAHPOPXGLA-BZUAXINKSA-N 2 0 302.462 2.951 20 0 DFADRP CCN(CC[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1)c1cccc(C)c1 ZINC000647786265 431685007 /nfs/dbraw/zinc/68/50/07/431685007.db2.gz LSLCNEFJMHRNIJ-RCCFBDPRSA-N 2 0 301.478 2.799 20 0 DFADRP COc1ccc([C@H](C)[NH2+]CCC2CC[NH2+]CC2)cc1NC(C)=O ZINC000650764231 431685812 /nfs/dbraw/zinc/68/58/12/431685812.db2.gz TZVKPYPENBUKOT-ZDUSSCGKSA-N 2 0 319.449 2.694 20 0 DFADRP CC(C)(C[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1)c1ccc2c(c1)OCO2 ZINC000647788538 431686861 /nfs/dbraw/zinc/68/68/61/431686861.db2.gz LRAVGBOOMNTAAZ-OFQRWUPVSA-N 2 0 316.445 2.671 20 0 DFADRP COc1ccc(CC[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)c(Cl)c1 ZINC000647789860 431687569 /nfs/dbraw/zinc/68/75/69/431687569.db2.gz MWOKMNLQHAFSNG-RBSFLKMASA-N 2 0 308.853 2.869 20 0 DFADRP C1[NH2+]C[C@H]2CC[C@@H]([NH2+]C3CC[NH+](C4CCCCC4)CC3)C[C@@H]12 ZINC000647788740 431687930 /nfs/dbraw/zinc/68/79/30/431687930.db2.gz POWAZNGQODISBX-SOLBZPMBSA-N 3 0 305.510 2.761 20 0 DFADRP CCC(CC)[C@H](C[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1)[NH+]1CCCC1 ZINC000647788623 431688149 /nfs/dbraw/zinc/68/81/49/431688149.db2.gz NINXAKLVXNUSHX-OKYOBFRVSA-N 3 0 307.526 2.865 20 0 DFADRP Fc1cc(F)c(F)c(C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)c1F ZINC000647789589 431688272 /nfs/dbraw/zinc/68/82/72/431688272.db2.gz HQZQDPLYZIWHDZ-KXUCPTDWSA-N 2 0 302.315 2.721 20 0 DFADRP C[C@@H]([NH2+]CCC1CC[NH2+]CC1)c1cnn(Cc2ccccc2)c1 ZINC000650764327 431688872 /nfs/dbraw/zinc/68/88/72/431688872.db2.gz WFPQKAFELVMQTQ-MRXNPFEDSA-N 2 0 312.461 2.972 20 0 DFADRP c1cc(OC2CCCC2)ncc1C[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000647793204 431689319 /nfs/dbraw/zinc/68/93/19/431689319.db2.gz PKCVEIQGGWKRBO-BRWVUGGUSA-N 2 0 315.461 2.881 20 0 DFADRP CCCCCn1cc(C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)c(C)n1 ZINC000647793664 431689574 /nfs/dbraw/zinc/68/95/74/431689574.db2.gz DDSVSOOVZPYEFQ-SOLBZPMBSA-N 2 0 304.482 2.859 20 0 DFADRP CC(C)COC[C@H]([NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1)c1ccco1 ZINC000647793209 431689861 /nfs/dbraw/zinc/68/98/61/431689861.db2.gz PNJIGLKHVLEDKP-NXOAAHMSSA-N 2 0 306.450 2.971 20 0 DFADRP CC(C)(C)c1nc(CC[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)cs1 ZINC000647793856 431690092 /nfs/dbraw/zinc/69/00/92/431690092.db2.gz KBDJVQSAYDMWOZ-BFHYXJOUSA-N 2 0 307.507 2.961 20 0 DFADRP c1cc(C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)cc(OC2CCCC2)n1 ZINC000647793464 431690164 /nfs/dbraw/zinc/69/01/64/431690164.db2.gz ZCJHCLOPLKBOCY-GVDBMIGSSA-N 2 0 315.461 2.881 20 0 DFADRP C[C@H]([NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1)c1ccc(Br)cn1 ZINC000647796663 431691117 /nfs/dbraw/zinc/69/11/17/431691117.db2.gz INNRIWIMVWUAQU-FMCLSXCISA-N 2 0 324.266 2.883 20 0 DFADRP COc1cccc(C2(C[NH2+][C@@H]3CC[C@H]4C[NH2+]C[C@@H]4C3)CC2)c1 ZINC000647797800 431692465 /nfs/dbraw/zinc/69/24/65/431692465.db2.gz CLILGHCCXHMTNB-YQQAZPJKSA-N 2 0 300.446 2.705 20 0 DFADRP COC[C@@H](C)Oc1ccc(C[NH2+]CC2CC[NH+](C)CC2)cc1 ZINC000657348894 431694281 /nfs/dbraw/zinc/69/42/81/431694281.db2.gz LFDFFXBOGDZREY-OAHLLOKOSA-N 2 0 306.450 2.532 20 0 DFADRP COc1ccc(OCCC[N@H+](C2CC2)C2CC[NH2+]CC2)cc1 ZINC000647814537 431696695 /nfs/dbraw/zinc/69/66/95/431696695.db2.gz SLGFOTZBAAAHMD-UHFFFAOYSA-N 2 0 304.434 2.681 20 0 DFADRP CCCOc1ccc(C[NH2+][C@@H](C)CN2CC[NH+](C)CC2)c(C)c1 ZINC000657354014 431697742 /nfs/dbraw/zinc/69/77/42/431697742.db2.gz MYFROSOKMHEIHK-KRWDZBQOSA-N 2 0 319.493 2.509 20 0 DFADRP CCO[C@@H]1C[C@H]([NH2+]Cc2ccnn2-c2cc[nH+]cc2)C12CCC2 ZINC000657375059 431708028 /nfs/dbraw/zinc/70/80/28/431708028.db2.gz CJHPHFVYKRHVRQ-DLBZAZTESA-N 2 0 312.417 2.705 20 0 DFADRP OCCC[C@@H]([NH2+]Cc1ccnn1-c1cc[nH+]cc1)c1ccccc1 ZINC000657373438 431708443 /nfs/dbraw/zinc/70/84/43/431708443.db2.gz WEVDTTUHFIAILG-LJQANCHMSA-N 2 0 322.412 2.871 20 0 DFADRP CC[NH+]1CCC(CC[NH2+]Cc2c(C(F)(F)F)cnn2C)CC1 ZINC000657378072 431712226 /nfs/dbraw/zinc/71/22/26/431712226.db2.gz XJBLFVYHHOFUDY-UHFFFAOYSA-N 2 0 318.387 2.651 20 0 DFADRP C[NH2+]Cc1ccccc1C[NH2+]Cc1ccc(Br)cn1 ZINC000650719125 431662461 /nfs/dbraw/zinc/66/24/61/431662461.db2.gz DUFFVICTBQSVCU-UHFFFAOYSA-N 2 0 320.234 2.853 20 0 DFADRP CCOc1cc(C[NH2+]Cc2ccc(C[NH3+])cc2F)ccc1OC ZINC000650718473 431663324 /nfs/dbraw/zinc/66/33/24/431663324.db2.gz ODGWUDHPIIHHSE-UHFFFAOYSA-N 2 0 318.392 2.982 20 0 DFADRP CC[C@H]1C[N@H+](CCC(=O)Nc2ccc(Cl)cc2)CC[C@@H]1[NH3+] ZINC000647937435 431735801 /nfs/dbraw/zinc/73/58/01/431735801.db2.gz ZBWBEWDGWXNNBS-WFASDCNBSA-N 2 0 309.841 2.728 20 0 DFADRP CC(C)C[C@H]1C[C@@H]([NH2+]Cc2ccnn2-c2cc[nH+]cc2)CCO1 ZINC000657427857 431743287 /nfs/dbraw/zinc/74/32/87/431743287.db2.gz GREPLPKJGLCGDP-YJBOKZPZSA-N 2 0 314.433 2.951 20 0 DFADRP CC(C)[C@H]1C[C@@H]([NH2+]Cc2ccnn2-c2cc[nH+]cc2)CCO1 ZINC000657425818 431745436 /nfs/dbraw/zinc/74/54/36/431745436.db2.gz QLMZLACFXVLCGR-WMLDXEAASA-N 2 0 300.406 2.561 20 0 DFADRP CCC[N@H+](C[C@H](O)C[NH+](C)C(C)C)[C@H]1CCc2ccccc2C1 ZINC000647960159 431751392 /nfs/dbraw/zinc/75/13/92/431751392.db2.gz JEDKKZRKVQEENB-VQTJNVASSA-N 2 0 318.505 2.957 20 0 DFADRP COc1ccc(OCCC[N@@H+]2CC[C@@]3(C2)CCC[NH2+]C3)cc1 ZINC000647957107 431752423 /nfs/dbraw/zinc/75/24/23/431752423.db2.gz RCQWEFRZLRNROB-SFHVURJKSA-N 2 0 304.434 2.540 20 0 DFADRP OC[C@@H]([NH2+]Cc1cccc(C[NH+]2CCCCC2)c1)C1CCC1 ZINC000661154246 431752668 /nfs/dbraw/zinc/75/26/68/431752668.db2.gz OJDKBICTYNRVQJ-LJQANCHMSA-N 2 0 302.462 2.923 20 0 DFADRP CCC[N@H+](C[C@H](O)C[NH+](C)C(C)C)[C@@H]1CCc2ccccc2C1 ZINC000647960160 431752646 /nfs/dbraw/zinc/75/26/46/431752646.db2.gz JEDKKZRKVQEENB-WOJBJXKFSA-N 2 0 318.505 2.957 20 0 DFADRP C(c1noc2c1CCCC2)[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647977995 431761564 /nfs/dbraw/zinc/76/15/64/431761564.db2.gz KTOQTNBTLVAEPG-GJZGRUSLSA-N 2 0 303.450 2.765 20 0 DFADRP COc1ccc(OCC[N@@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)cc1 ZINC000647976333 431762170 /nfs/dbraw/zinc/76/21/70/431762170.db2.gz NGNGIPLWKIOWAZ-DLBZAZTESA-N 2 0 318.461 2.786 20 0 DFADRP COc1ccccc1OCC[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647977883 431762496 /nfs/dbraw/zinc/76/24/96/431762496.db2.gz JKHAOGHACCWSSG-SJORKVTESA-N 2 0 318.461 2.786 20 0 DFADRP c1cc(-c2noc(C[N@@H+]3CCC[C@H]([C@H]4CCC[NH2+]C4)C3)n2)co1 ZINC000647977773 431762909 /nfs/dbraw/zinc/76/29/09/431762909.db2.gz HMLKRPKHDQWCAD-KBPBESRZSA-N 2 0 316.405 2.541 20 0 DFADRP FC(F)(F)CO[C@@H]1CCC[N@H+](CCCC2CC[NH2+]CC2)C1 ZINC000647879809 431716996 /nfs/dbraw/zinc/71/69/96/431716996.db2.gz ATDFQSSLHHYPDB-CQSZACIVSA-N 2 0 308.388 2.810 20 0 DFADRP CC(C)[NH+](CCC[NH2+]C[C@@H]1CCO[C@H]1c1cnn(C)c1)C(C)C ZINC000657384935 431717899 /nfs/dbraw/zinc/71/78/99/431717899.db2.gz WGHAETBBWXSUGQ-FUHWJXTLSA-N 2 0 322.497 2.596 20 0 DFADRP C[C@@H]1CN(C)C[C@H]1[NH2+]C[C@H]1CCN(c2ccccc2Cl)C1 ZINC000657537466 431799222 /nfs/dbraw/zinc/79/92/22/431799222.db2.gz LZUSOBZFUBPERH-IIAWOOMASA-N 2 0 307.869 2.706 20 0 DFADRP COCC1CCC([NH2+]CC2CC[NH+](C3CCOCC3)CC2)CC1 ZINC000657537548 431799310 /nfs/dbraw/zinc/79/93/10/431799310.db2.gz OPZWJFTXMMFYCR-UHFFFAOYSA-N 2 0 324.509 2.672 20 0 DFADRP COc1ccccc1C[NH2+]CC1CC[NH+](C2CCOCC2)CC1 ZINC000657536954 431800900 /nfs/dbraw/zinc/80/09/00/431800900.db2.gz VGENWPOSUUTSGX-UHFFFAOYSA-N 2 0 318.461 2.676 20 0 DFADRP C[NH+]1CCC2(CC1)C[N@H+](Cc1ccnc3ccccc13)CCO2 ZINC000648071883 431809275 /nfs/dbraw/zinc/80/92/75/431809275.db2.gz ZLKUCPJJHDPKSH-UHFFFAOYSA-N 2 0 311.429 2.531 20 0 DFADRP Cc1nn(-c2cc[nH+]cc2)cc1CN[C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000657564704 431809623 /nfs/dbraw/zinc/80/96/23/431809623.db2.gz YSXBNGUYUPEAOO-INIZCTEOSA-N 2 0 313.449 2.538 20 0 DFADRP c1nnc([C@@H]2CCC[N@@H+](CCCC3CC[NH2+]CC3)C2)n1C1CC1 ZINC000647988468 431766750 /nfs/dbraw/zinc/76/67/50/431766750.db2.gz MVGGFQIAJGKXTN-MRXNPFEDSA-N 2 0 317.481 2.572 20 0 DFADRP Fc1ccc2c(c1)onc2C1CC[NH+](C[C@H]2CC[NH2+]C2)CC1 ZINC000647989951 431768034 /nfs/dbraw/zinc/76/80/34/431768034.db2.gz IXASDFHPIIUZSV-LBPRGKRZSA-N 2 0 303.381 2.756 20 0 DFADRP Cc1ccc(-c2nn(C)cc2C[N@H+](C)CC2CC[NH+](C)CC2)o1 ZINC000648006603 431774885 /nfs/dbraw/zinc/77/48/85/431774885.db2.gz OEOYHAOTZVUUIF-UHFFFAOYSA-N 2 0 316.449 2.762 20 0 DFADRP c1cc(C[NH2+]CCCC2CCOCC2)n(-c2cc[nH+]cc2)n1 ZINC000657476519 431775281 /nfs/dbraw/zinc/77/52/81/431775281.db2.gz IXZJLQZBNODEOR-UHFFFAOYSA-N 2 0 300.406 2.564 20 0 DFADRP CC[NH+]1CCC(NC(=O)C[N@@H+]2CCCC3(CCCC3)CC2)CC1 ZINC000661228856 431785260 /nfs/dbraw/zinc/78/52/60/431785260.db2.gz WDXXQTVBYAOYJE-UHFFFAOYSA-N 2 0 321.509 2.633 20 0 DFADRP O[C@H]1CC[N@H+](Cc2ccc(C[NH2+]C[C@H]3CC=CCC3)cc2)C1 ZINC000657596605 431820307 /nfs/dbraw/zinc/82/03/07/431820307.db2.gz XSKMHHGLABMOLA-LPHOPBHVSA-N 2 0 300.446 2.699 20 0 DFADRP C[C@@H]([NH2+]CC(C)(C)C[N@H+](C)Cc1ccccc1)C1(CO)CC1 ZINC000657603636 431824067 /nfs/dbraw/zinc/82/40/67/431824067.db2.gz PRJCVZAVPGRJAJ-MRXNPFEDSA-N 2 0 304.478 2.895 20 0 DFADRP Cc1cnc(C[NH2+]CC2CC[NH+](Cc3ccncc3)CC2)s1 ZINC000657612951 431824805 /nfs/dbraw/zinc/82/48/05/431824805.db2.gz GNXUXDRXYBQREO-UHFFFAOYSA-N 2 0 316.474 2.848 20 0 DFADRP CC(C)([NH3+])CCC(=O)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000648160020 431828579 /nfs/dbraw/zinc/82/85/79/431828579.db2.gz ONZOXEPQCBHCBR-UHFFFAOYSA-N 2 0 309.498 2.619 20 0 DFADRP Cc1ccc2c(c1)[C@@H]([NH2+]CC1CC[NH+](CCO)CC1)[C@H](C)C2 ZINC000180486491 281091119 /nfs/dbraw/zinc/09/11/19/281091119.db2.gz AIBLBJUZSCTQHF-BEFAXECRSA-N 2 0 302.462 2.522 20 0 DFADRP CC[C@H]1[NH2+]CC[C@H]1C(=O)NCc1ccccc1C[NH+](CC)CC ZINC000289833869 281248123 /nfs/dbraw/zinc/24/81/23/281248123.db2.gz DSEUUTJCTFZDND-QZTJIDSGSA-N 2 0 317.477 2.533 20 0 DFADRP CCC(C)(C)[NH2+][C@H](C)C(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000299272642 282024119 /nfs/dbraw/zinc/02/41/19/282024119.db2.gz UXDQVNFLNYBQHF-ZBFHGGJFSA-N 2 0 305.466 2.572 20 0 DFADRP CC(C)[N@H+](C)CC(=O)NC[C@H]1CCC[NH+](C)[C@@H]1c1cccs1 ZINC000363335386 289078845 /nfs/dbraw/zinc/07/88/45/289078845.db2.gz PLIKQSNIZUPAQK-PBHICJAKSA-N 2 0 323.506 2.587 20 0 DFADRP c1ccc(-c2nnc(CN3C[C@@H]4C[N@@H+]5CCCC[C@H]5[C@H]4C3)o2)cc1 ZINC000363416363 289092046 /nfs/dbraw/zinc/09/20/46/289092046.db2.gz ZZTPBNNIYWCGQU-IKGGRYGDSA-N 2 0 324.428 2.653 20 0 DFADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)[C@@H]1CCCC1(C)C ZINC000355279041 289113973 /nfs/dbraw/zinc/11/39/73/289113973.db2.gz LJVMANFRDNFBRK-INIZCTEOSA-N 2 0 311.514 2.545 20 0 DFADRP CC(C)[C@@](C)(C[NH3+])NC(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C ZINC000415792636 289139013 /nfs/dbraw/zinc/13/90/13/289139013.db2.gz SKELNRROFFKFGL-FUHWJXTLSA-N 2 0 318.465 2.730 20 0 DFADRP C[NH+](C)C[C@](C)(O)C[NH2+][C@H]1CCC[C@@H]1c1ccc(Cl)cc1 ZINC000378399073 289222799 /nfs/dbraw/zinc/22/27/99/289222799.db2.gz GXLLRUATYCRMAV-IXDOHACOSA-N 2 0 310.869 2.878 20 0 DFADRP C[NH+](C)Cc1ccsc1C(=O)NCC1(C[NH+](C)C)CCCC1 ZINC000274172273 289227013 /nfs/dbraw/zinc/22/70/13/289227013.db2.gz IODYIUMDOGCWQQ-UHFFFAOYSA-N 2 0 323.506 2.662 20 0 DFADRP CN(C)[C@H](C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1)c1ccccc1 ZINC000262364155 289364862 /nfs/dbraw/zinc/36/48/62/289364862.db2.gz WRUDCBOIKNMEMT-FCGDIQPGSA-N 2 0 301.478 2.800 20 0 DFADRP C[C@H]([NH2+]CC1(N2CCCCC2)CC[NH+](C)CC1)c1ccoc1 ZINC000177984053 289945931 /nfs/dbraw/zinc/94/59/31/289945931.db2.gz XHMMRUXBDQHIFX-INIZCTEOSA-N 2 0 305.466 2.881 20 0 DFADRP C[C@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](CCC2CC[NH2+]CC2)C1 ZINC000359226053 290390814 /nfs/dbraw/zinc/39/08/14/290390814.db2.gz VPFDNQILOHTYNC-PKOBYXMFSA-N 3 0 307.526 2.963 20 0 DFADRP CC(C)[NH+]1CCC(N(C)C(=O)[C@H](C)[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC000435940454 296980648 /nfs/dbraw/zinc/98/06/48/296980648.db2.gz RCPMAFXVJKIAMQ-JYJNAYRXSA-N 2 0 309.498 2.579 20 0 DFADRP COC[C@H](C)C[NH2+]Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000177566115 293006117 /nfs/dbraw/zinc/00/61/17/293006117.db2.gz NRNWPDWDMLGRDA-MRXNPFEDSA-N 2 0 319.493 2.589 20 0 DFADRP CCO[C@@H](CC[NH+](C)C)C[NH2+]Cc1c[nH]nc1-c1ccsc1 ZINC000436285344 296996268 /nfs/dbraw/zinc/99/62/68/296996268.db2.gz OCWHPUCFAGZOGP-HNNXBMFYSA-N 2 0 322.478 2.585 20 0 DFADRP Cc1nc(C)c(CC[NH2+]C2CCN(c3cc[nH+]cc3)CC2)s1 ZINC000436471836 297004906 /nfs/dbraw/zinc/00/49/06/297004906.db2.gz VTPMNDIMJACIGR-UHFFFAOYSA-N 2 0 316.474 2.956 20 0 DFADRP C[C@@H]([NH2+]CC1(N(C)C)CCC1)c1cccc(OCC[NH+](C)C)c1 ZINC000437074376 297053625 /nfs/dbraw/zinc/05/36/25/297053625.db2.gz IREGACGGCCFTQJ-MRXNPFEDSA-N 2 0 319.493 2.762 20 0 DFADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]CC(C)(C)OCC)[C@@H](C)C1 ZINC000437087237 297054109 /nfs/dbraw/zinc/05/41/09/297054109.db2.gz UTSQPZJZSIMVKB-HOTGVXAUSA-N 2 0 300.487 2.528 20 0 DFADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@H]1CCC[NH+]1C1CCCCC1 ZINC000437848970 297071890 /nfs/dbraw/zinc/07/18/90/297071890.db2.gz XILHEGPOVKHPFS-QZTJIDSGSA-N 2 0 321.509 2.774 20 0 DFADRP O=C(NC[C@H]1CCC[N@@H+]1C1CCCCC1)[C@@H]1CCC[NH+]1C1CC1 ZINC000437862579 297072299 /nfs/dbraw/zinc/07/22/99/297072299.db2.gz YBQIOQLTOYAEEQ-MSOLQXFVSA-N 2 0 319.493 2.527 20 0 DFADRP CC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@@H]1CCC[NH+]1C1CCCCC1 ZINC000437855606 297072480 /nfs/dbraw/zinc/07/24/80/297072480.db2.gz YORKRMSGBTVQJI-ZWKOTPCHSA-N 2 0 321.509 2.774 20 0 DFADRP CC[NH+](CC)Cc1ccccc1C[NH2+][C@@H]1CCC(=O)NC1(C)C ZINC000494874931 299886708 /nfs/dbraw/zinc/88/67/08/299886708.db2.gz ANGVADCPNFREKH-QGZVFWFLSA-N 2 0 317.477 2.675 20 0 DFADRP CC[NH+](CC)Cc1cccc(C[NH2+][C@H]2CCC(=O)NC2(C)C)c1 ZINC000494924033 299889735 /nfs/dbraw/zinc/88/97/35/299889735.db2.gz SJBLPJVOTKKOFY-KRWDZBQOSA-N 2 0 317.477 2.675 20 0 DFADRP COc1ccc([C@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc1OC ZINC000296074761 295236297 /nfs/dbraw/zinc/23/62/97/295236297.db2.gz WWPHYSCSCLFWQY-WWTUQBGBSA-N 2 0 304.434 2.980 20 0 DFADRP [NH3+]Cc1ccc(C(=O)N2CCC[C@@H]([NH+]3CCCCCC3)C2)cc1 ZINC000237946461 295277744 /nfs/dbraw/zinc/27/77/44/295277744.db2.gz ADTTZHFUTAZTAU-GOSISDBHSA-N 2 0 315.461 2.626 20 0 DFADRP CC(C)C[C@@H]([NH2+]CCCC[NH+]1CCN(C)CC1)c1ccccn1 ZINC000154345438 295297463 /nfs/dbraw/zinc/29/74/63/295297463.db2.gz ZWOSWEQWXALVND-LJQANCHMSA-N 2 0 318.509 2.786 20 0 DFADRP CC[C@@H]([NH2+]CCCC[NH+]1CCN(C)CC1)c1cccc(OC)c1 ZINC000154355634 295297946 /nfs/dbraw/zinc/29/79/46/295297946.db2.gz HQALMDNUKDTGRL-LJQANCHMSA-N 2 0 319.493 2.764 20 0 DFADRP CC[C@H](C)[C@H](C)[NH2+]Cc1cccc(OCCN2CCOCC2)c1 ZINC000155153173 295313843 /nfs/dbraw/zinc/31/38/43/295313843.db2.gz MNFVNKGSFRUALP-IRXDYDNUSA-N 2 0 320.477 2.922 20 0 DFADRP CC[NH+]1CCN([C@H](C)C[NH2+][C@@H](C)C(C)(C)c2ccccc2)CC1 ZINC000155572185 295320945 /nfs/dbraw/zinc/32/09/45/295320945.db2.gz WUWXXNHBZBYFPB-MSOLQXFVSA-N 2 0 317.521 2.968 20 0 DFADRP CC[C@@H]([NH2+]C[C@H]1CCC[N@H+](C)C1)c1ccc2c(c1)OCCO2 ZINC000158147599 295359101 /nfs/dbraw/zinc/35/91/01/295359101.db2.gz QYFGGBXMYSCVGU-GDBMZVCRSA-N 2 0 304.434 2.840 20 0 DFADRP CC1CC[NH+](C[C@H](O)C[NH2+][C@H](Cc2ccccc2)C2CC2)CC1 ZINC000158870523 295368546 /nfs/dbraw/zinc/36/85/46/295368546.db2.gz FLDDTERQEBBVLI-WOJBJXKFSA-N 2 0 316.489 2.690 20 0 DFADRP CC[NH+](CC)CCC[C@@H](C)NC(=O)C[C@H](C)C1CC[NH2+]CC1 ZINC000163429879 295422691 /nfs/dbraw/zinc/42/26/91/295422691.db2.gz SRMQNYMPUYYLSR-JKSUJKDBSA-N 2 0 311.514 2.639 20 0 DFADRP CC[C@H]([NH2+][C@@H]1CCN(C2CC[NH+](C)CC2)C1)c1ccccc1 ZINC000370623968 295461441 /nfs/dbraw/zinc/46/14/41/295461441.db2.gz DZPZLVOEBXHHIR-MJGOQNOKSA-N 2 0 301.478 2.896 20 0 DFADRP CC(CC[NH+]1[C@H](C)COC[C@H]1C)CC[NH+]1[C@H](C)COC[C@H]1C ZINC000411279758 295535028 /nfs/dbraw/zinc/53/50/28/295535028.db2.gz CPOQESGOWCNVNE-BRSBDYLESA-N 2 0 312.498 2.621 20 0 DFADRP CC[NH+]1CCC(NC(=O)C[NH2+][C@H](C)[C@@H](C)C2CCCCC2)CC1 ZINC000411516166 295543714 /nfs/dbraw/zinc/54/37/14/295543714.db2.gz JHNOQWDSPVOFFM-HZPDHXFCSA-N 2 0 323.525 2.781 20 0 DFADRP CSC1(C[NH2+][C@@H](C)CC(=O)OC(C)(C)C)CC[NH+](C)CC1 ZINC000353626477 295582493 /nfs/dbraw/zinc/58/24/93/295582493.db2.gz IGAYRSPWIGCXPP-ZDUSSCGKSA-N 2 0 316.511 2.524 20 0 DFADRP C[NH+](C)Cc1ccc(NC(=O)C2CC[NH+](C3CC3)CC2)c(F)c1 ZINC000412556919 295633650 /nfs/dbraw/zinc/63/36/50/295633650.db2.gz HAEIRTJOSKJIKE-UHFFFAOYSA-N 2 0 319.424 2.700 20 0 DFADRP CCCC[NH+]1CCC(NC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC000438565723 297099026 /nfs/dbraw/zinc/09/90/26/297099026.db2.gz FJMOQIAEFWNKSO-GOSISDBHSA-N 2 0 321.509 2.774 20 0 DFADRP COC(=O)CC1(C[NH2+][C@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)CC1 ZINC000440498648 297154641 /nfs/dbraw/zinc/15/46/41/297154641.db2.gz ZHTJPVQDXSVZLW-CABCVRRESA-N 2 0 308.466 2.572 20 0 DFADRP CO[C@@H]1CC[NH+](C[C@@H](C)C[N@H+]2CC[C@H](OC)C[C@@H]2C)[C@@H](C)C1 ZINC000441373721 297181498 /nfs/dbraw/zinc/18/14/98/297181498.db2.gz CJOVXANROZFGMP-KFGODFMUSA-N 2 0 312.498 2.621 20 0 DFADRP C[C@@H]1C[C@@H](C[NH3+])C[N@@H+]1CCC(=O)Nc1cccc2ccccc21 ZINC000442750739 297204425 /nfs/dbraw/zinc/20/44/25/297204425.db2.gz BKMYLKATYPWJCE-CABCVRRESA-N 2 0 311.429 2.838 20 0 DFADRP C[C@H]([NH2+]CCN1CC[N@H+](C)C(C)(C)C1)c1cc(F)cc(F)c1 ZINC000442879540 297209066 /nfs/dbraw/zinc/20/90/66/297209066.db2.gz WOVZECUBBDLPCJ-ZDUSSCGKSA-N 2 0 311.420 2.641 20 0 DFADRP Cc1cccc2c1CC[C@H]2[NH2+]CCN1CC[N@@H+](C)C(C)(C)C1 ZINC000442874495 297209153 /nfs/dbraw/zinc/20/91/53/297209153.db2.gz QPGCNWXATFKHPL-GOSISDBHSA-N 2 0 301.478 2.598 20 0 DFADRP CCOc1ccccc1[C@H](C)[NH2+]CCN1CC[N@H+](C)C(C)(C)C1 ZINC000442888133 297210296 /nfs/dbraw/zinc/21/02/96/297210296.db2.gz FBGQJHIKMPEWIZ-INIZCTEOSA-N 2 0 319.493 2.762 20 0 DFADRP CCN(CC)C(=O)[C@H](c1ccccc1)[N@@H+]1CCC[C@H](CC[NH3+])C1 ZINC000443058231 297213890 /nfs/dbraw/zinc/21/38/90/297213890.db2.gz MRMCBMOEUCSWDQ-AEFFLSMTSA-N 2 0 317.477 2.657 20 0 DFADRP CC1CCC(N(C(=O)C[N@@H+]2CCC[C@H](CC[NH3+])C2)C2CC2)CC1 ZINC000443059035 297214004 /nfs/dbraw/zinc/21/40/04/297214004.db2.gz LQDDYMHGTVJBEZ-AQFXKWCLSA-N 2 0 321.509 2.617 20 0 DFADRP [NH3+]CC[C@H]1CCC[N@@H+]([C@@H]2CCN(c3ccc(Cl)cc3)C2=O)C1 ZINC000443065994 297214730 /nfs/dbraw/zinc/21/47/30/297214730.db2.gz DDAJYNJWHISNPI-CZUORRHYSA-N 2 0 321.852 2.506 20 0 DFADRP C[N@@H+]1CCN(CCC[NH+]2CCCCC2)[C@@H](c2ccccc2)C1 ZINC000444615411 297241576 /nfs/dbraw/zinc/24/15/76/297241576.db2.gz ANWAMAQCYZILCN-LJQANCHMSA-N 2 0 301.478 2.851 20 0 DFADRP CC[NH+]1CCC(N2CCC[N@H+](Cc3cccs3)CC2)CC1 ZINC000445517387 297262245 /nfs/dbraw/zinc/26/22/45/297262245.db2.gz BNXLIAKTLGSWEX-UHFFFAOYSA-N 2 0 307.507 2.740 20 0 DFADRP CC(C)[NH+]1CCC(NC(=O)C[N@H+](C)[C@@H](C)C2CCCCC2)CC1 ZINC000447387887 297302578 /nfs/dbraw/zinc/30/25/78/297302578.db2.gz VHGZCRYTHPFTTH-INIZCTEOSA-N 2 0 323.525 2.876 20 0 DFADRP CC[C@@H]([NH2+]CCOCC[NH+](C)C)c1cc(Cl)ccc1OC ZINC000447593377 297309876 /nfs/dbraw/zinc/30/98/76/297309876.db2.gz RMQSNRBJHXBTCN-OAHLLOKOSA-N 2 0 314.857 2.968 20 0 DFADRP OC[C@H](CC(F)F)[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000447603717 297310558 /nfs/dbraw/zinc/31/05/58/297310558.db2.gz YRQYULMNBZSUDN-LUKYLMHMSA-N 2 0 324.415 2.788 20 0 DFADRP CC[NH+](CC)CCO[C@@H]1CC[N@H+](Cc2cc(F)cc(OC)c2)C1 ZINC000449035816 297395259 /nfs/dbraw/zinc/39/52/59/297395259.db2.gz HWSBTXHHWRQQIV-QGZVFWFLSA-N 2 0 324.440 2.767 20 0 DFADRP CC[NH+](CC)CCO[C@H]1CC[N@H+](Cc2ccc(C)cc2OC)C1 ZINC000449038993 297395707 /nfs/dbraw/zinc/39/57/07/297395707.db2.gz YGZXUMCJSOMMJX-SFHVURJKSA-N 2 0 320.477 2.936 20 0 DFADRP Cc1cccc(CC[N@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@H]32)c1 ZINC000449048571 297397512 /nfs/dbraw/zinc/39/75/12/297397512.db2.gz PWAKVBHXAMCJOC-GUDVDZBRSA-N 2 0 302.462 2.721 20 0 DFADRP CC(C)(C)CC(C)(C)[NH+]1CCC([NH2+]CCNC(=O)C2CC2)CC1 ZINC000449059584 297398570 /nfs/dbraw/zinc/39/85/70/297398570.db2.gz BVKBFPUQFLEAQG-UHFFFAOYSA-N 2 0 323.525 2.781 20 0 DFADRP C[NH+]1CCN(c2ccc(C[NH2+][C@H]3CCCC34CCC4)cn2)CC1 ZINC000449076944 297401531 /nfs/dbraw/zinc/40/15/31/297401531.db2.gz VDVRXVJMIIDMHH-KRWDZBQOSA-N 2 0 314.477 2.646 20 0 DFADRP Cc1ccccc1[C@H]([NH3+])C(=O)NC[C@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC000449096758 297404892 /nfs/dbraw/zinc/40/48/92/297404892.db2.gz AEVFFSXSNADVDI-LJHODMEESA-N 2 0 317.477 2.622 20 0 DFADRP C[C@@H](Cc1ccccc1)[NH+]1CCC([NH2+]CC2(C)COC2)CC1 ZINC000449139343 297411863 /nfs/dbraw/zinc/41/18/63/297411863.db2.gz KMOYUXXXLOJVKF-INIZCTEOSA-N 2 0 302.462 2.708 20 0 DFADRP C[NH2+][C@@H](CC(C)(C)C)C(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000449142028 297412419 /nfs/dbraw/zinc/41/24/19/297412419.db2.gz MSIAMTDKGVETKX-KRWDZBQOSA-N 2 0 323.525 2.924 20 0 DFADRP COCC[C@H](CO)[NH2+]C1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC000449302940 297440973 /nfs/dbraw/zinc/44/09/73/297440973.db2.gz LGLOIFJMOCFXSV-MRXNPFEDSA-N 2 0 314.514 2.653 20 0 DFADRP C[C@@H](C[NH+](C)C)NC1CC[NH+]([C@@H](C)Cc2ccccc2)CC1 ZINC000449322886 297445684 /nfs/dbraw/zinc/44/56/84/297445684.db2.gz ZPSLJTCTAIENKB-IRXDYDNUSA-N 2 0 303.494 2.622 20 0 DFADRP C[C@H](Cc1ccoc1)[NH2+]Cc1ccncc1OCCC[NH+](C)C ZINC000449327783 297446820 /nfs/dbraw/zinc/44/68/20/297446820.db2.gz GGVKRHXVHJCDJQ-OAHLLOKOSA-N 2 0 317.433 2.726 20 0 DFADRP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1NC(=O)C[C@@H]1CCCC[C@@H]1[NH3+] ZINC000449355972 297452333 /nfs/dbraw/zinc/45/23/33/297452333.db2.gz ATECVBUNZKWIDI-XSLAGTTESA-N 2 0 323.525 2.911 20 0 DFADRP [NH3+][C@@H]1CCCC[C@H]1CC(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000449367434 297455077 /nfs/dbraw/zinc/45/50/77/297455077.db2.gz WEYOLAJTQZETRE-MAUKXSAKSA-N 2 0 321.509 2.807 20 0 DFADRP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+]CCC2(CO)CC2)CC1 ZINC000449581027 297494550 /nfs/dbraw/zinc/49/45/50/297494550.db2.gz WLDIMIYKAFMYMR-QGZVFWFLSA-N 2 0 316.489 2.834 20 0 DFADRP COC(=O)C1(C[NH+]2CCC(CCC[NH+]3CCCC3)CC2)CC1 ZINC000450611964 297656055 /nfs/dbraw/zinc/65/60/55/297656055.db2.gz QEUFYHAFQQPGKI-UHFFFAOYSA-N 2 0 308.466 2.528 20 0 DFADRP CC[NH+](CC)CCCC1CC[NH+](Cc2cccnc2N)CC1 ZINC000450714573 297674128 /nfs/dbraw/zinc/67/41/28/297674128.db2.gz HOWROGNRDGMMNS-UHFFFAOYSA-N 2 0 304.482 2.998 20 0 DFADRP C[C@H](Cc1cnccn1)[NH2+]CCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000453069894 298059330 /nfs/dbraw/zinc/05/93/30/298059330.db2.gz ZJFJZZHRZNWTIN-IXDOHACOSA-N 2 0 304.482 2.755 20 0 DFADRP C[NH+](C)CCN1CCC([NH2+]C2CCc3ccccc3CC2)CC1 ZINC000453087851 298060496 /nfs/dbraw/zinc/06/04/96/298060496.db2.gz QFJMYAZCQVIHQD-UHFFFAOYSA-N 2 0 315.505 2.550 20 0 DFADRP C[C@@H]1C[C@H]([NH2+][C@H]2CCc3nc(C(C)(C)C)cn3C2)c2nccn21 ZINC000453092004 298061304 /nfs/dbraw/zinc/06/13/04/298061304.db2.gz RYLQJUDXFZOWJL-RDBSUJKOSA-N 2 0 313.449 2.988 20 0 DFADRP C[C@H](O)CC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000453124713 298065283 /nfs/dbraw/zinc/06/52/83/298065283.db2.gz OWTZUMMTUIKCBY-JCHJZTRSSA-N 2 0 302.462 2.790 20 0 DFADRP C[C@@H]([NH2+][C@@H]1CCOC1(C)C)c1cccc(OCC[NH+](C)C)c1 ZINC000453298254 298081174 /nfs/dbraw/zinc/08/11/74/298081174.db2.gz SFLKYVHMBXSGFV-RHSMWYFYSA-N 2 0 306.450 2.845 20 0 DFADRP O[C@H]1C[C@@H]([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]3CCC[C@@H]32)C1 ZINC000453356085 298086731 /nfs/dbraw/zinc/08/67/31/298086731.db2.gz HTHVCVVTQHAAJC-RHQZKXFESA-N 2 0 300.446 2.543 20 0 DFADRP C[N@@H+]1CC[C@H]([NH2+][C@@H]2CCO[C@@H](c3ccccn3)C2)[C@H]2CCC[C@@H]21 ZINC000453378610 298088117 /nfs/dbraw/zinc/08/81/17/298088117.db2.gz KKXJWYUIRMOFJS-RFXPCRSYSA-N 2 0 315.461 2.764 20 0 DFADRP C[C@@H]([NH2+]C[C@H]1CC[C@@H](C)O1)c1ccc(OCC[NH+](C)C)cc1 ZINC000453401791 298090489 /nfs/dbraw/zinc/09/04/89/298090489.db2.gz FCYKCPWVOBUVSK-IIDMSEBBSA-N 2 0 306.450 2.845 20 0 DFADRP C[C@@H]([NH2+]CCCC[N@H+](C)C1CC1)c1ccccc1-n1ccnn1 ZINC000453408195 298091016 /nfs/dbraw/zinc/09/10/16/298091016.db2.gz SMCVNFXKQCNORO-OAHLLOKOSA-N 2 0 313.449 2.792 20 0 DFADRP Cn1nccc1[C@@H]1CCC[C@@H]([NH2+]CCCC[N@H+](C)C2CC2)C1 ZINC000453413965 298091715 /nfs/dbraw/zinc/09/17/15/298091715.db2.gz WVUAFFITQBXPCE-HZPDHXFCSA-N 2 0 304.482 2.910 20 0 DFADRP C[C@H](CC(=O)NCCC[N@H+](C)C1CCCCC1)[C@@H]1CCC[NH2+]C1 ZINC000237620133 298300501 /nfs/dbraw/zinc/30/05/01/298300501.db2.gz DMZNENQRTIXGLJ-IAGOWNOFSA-N 2 0 323.525 2.783 20 0 DFADRP C[C@@H](c1cccc(F)c1)N1CC[NH+](CC2CC[NH2+]CC2)CC1 ZINC000455653608 298396390 /nfs/dbraw/zinc/39/63/90/298396390.db2.gz JLJULJMOOFGYLZ-HNNXBMFYSA-N 2 0 305.441 2.504 20 0 DFADRP c1ccc(-c2nnc([C@H]3CCC[N@H+]3CC3CC[NH2+]CC3)[nH]2)cc1 ZINC000455664120 298398783 /nfs/dbraw/zinc/39/87/83/298398783.db2.gz SZIWSDVLHXODEA-MRXNPFEDSA-N 2 0 311.433 2.608 20 0 DFADRP CC(C)(C)OC(=O)NC(C)(C)C[NH2+]Cc1ccc2c[nH+]cn2c1 ZINC000496159666 300023368 /nfs/dbraw/zinc/02/33/68/300023368.db2.gz PWEJYRUJXTWSGN-UHFFFAOYSA-N 2 0 318.421 2.727 20 0 DFADRP [NH3+][C@@H]1CCC[C@@H]1[NH2+]CCCCCNC(=O)OCc1ccccc1 ZINC000496638093 300091380 /nfs/dbraw/zinc/09/13/80/300091380.db2.gz AKHNCRZULAWYKP-SJORKVTESA-N 2 0 319.449 2.553 20 0 DFADRP C[C@@H](CCC[NH3+])[NH2+][C@H]1CCCN(C(=O)Oc2ccccc2)CC1 ZINC000496735947 300106317 /nfs/dbraw/zinc/10/63/17/300106317.db2.gz HWCSOLVFEMEFPJ-HOTGVXAUSA-N 2 0 319.449 2.757 20 0 DFADRP CC[C@H]([NH2+]CCc1ccc(NC(=O)OC)cc1)[C@H]1CCCC[NH2+]1 ZINC000496923934 300133351 /nfs/dbraw/zinc/13/33/51/300133351.db2.gz HLYRTRNICYWZMX-DLBZAZTESA-N 2 0 319.449 2.918 20 0 DFADRP CC[C@H]([NH2+]CCc1ccc(NC(=O)OC)cc1)[C@@H]1CCCC[NH2+]1 ZINC000496923937 300133360 /nfs/dbraw/zinc/13/33/60/300133360.db2.gz HLYRTRNICYWZMX-IRXDYDNUSA-N 2 0 319.449 2.918 20 0 DFADRP CC[C@@H]([NH2+]CC1=CC[NH2+]CC1)[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000496947729 300137158 /nfs/dbraw/zinc/13/71/58/300137158.db2.gz WBJDPOCAFDZERJ-HZPDHXFCSA-N 2 0 323.481 2.674 20 0 DFADRP C[C@@H]([NH2+]C[C@]1(C)CCC[NH2+]C1)c1cccc(N2CCOC2=O)c1 ZINC000496965694 300139477 /nfs/dbraw/zinc/13/94/77/300139477.db2.gz WXGFRXZZNHSXOR-RDTXWAMCSA-N 2 0 317.433 2.684 20 0 DFADRP C[C@@H](CCC1CC1)[NH2+]C[C@@H]1CCCN(C)[C@H]1c1ccnn1C ZINC000496988018 300143327 /nfs/dbraw/zinc/14/33/27/300143327.db2.gz KDRWVLCRLVNHFS-QILLFSRXSA-N 2 0 304.482 2.971 20 0 DFADRP CC[C@@H]([NH2+]C[C@H](C)C[NH2+]C)[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000497144232 300168628 /nfs/dbraw/zinc/16/86/28/300168628.db2.gz IYYLDQQULIHXOU-RBSFLKMASA-N 2 0 313.486 2.610 20 0 DFADRP C[C@@H]([NH2+][C@@H](C)c1cccc(N2CCOC2=O)c1)[C@H]1CCC[NH2+]C1 ZINC000497249162 300182635 /nfs/dbraw/zinc/18/26/35/300182635.db2.gz FQTRAFXDZXXIDK-LZWOXQAQSA-N 2 0 317.433 2.682 20 0 DFADRP CCCC[N@H+](C)CC1CCN(C(=O)[C@H]2CCCC[C@]2(C)[NH3+])CC1 ZINC000498203415 300194460 /nfs/dbraw/zinc/19/44/60/300194460.db2.gz ZVBJTLLRFNVRCD-MJGOQNOKSA-N 2 0 323.525 2.865 20 0 DFADRP CCc1ccc(NC(=O)CN(C)C2CC[NH+](C(C)C)CC2)cc1 ZINC000502911381 300218849 /nfs/dbraw/zinc/21/88/49/300218849.db2.gz GYCIGDAHRFCAGK-UHFFFAOYSA-N 2 0 317.477 2.992 20 0 DFADRP CCn1nccc1CC[NH2+][C@@H]1CCCC[C@H]1C[NH+](CC)CC ZINC000503220773 300219811 /nfs/dbraw/zinc/21/98/11/300219811.db2.gz IPSYPVFFQPMLEB-FUHWJXTLSA-N 2 0 306.498 2.936 20 0 DFADRP O[C@H]1CC[C@H]([NH2+][C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]23)CC1 ZINC000507461395 300235645 /nfs/dbraw/zinc/23/56/45/300235645.db2.gz LUHLBRUZSLPQSK-LASHMREHSA-N 2 0 314.473 2.790 20 0 DFADRP CC[N@@H+]1CC[C@H]([NH2+]CCc2cc(F)c(F)c(F)c2)[C@@H](C)C1 ZINC000507482238 300235825 /nfs/dbraw/zinc/23/58/25/300235825.db2.gz QHQFXYWURBFKSQ-NHYWBVRUSA-N 2 0 300.368 2.966 20 0 DFADRP c1ccc2c(c1)CC[C@H]([NH2+]C1CC[NH+](CC3CC3)CC1)CO2 ZINC000511019528 300248064 /nfs/dbraw/zinc/24/80/64/300248064.db2.gz TWUAHVBXIBMVQP-SFHVURJKSA-N 2 0 300.446 2.844 20 0 DFADRP C[C@@H]1C[C@@H](CC[NH2+]CC2(C)COC2)C[N@@H+]1Cc1ccccc1 ZINC000512044625 300252072 /nfs/dbraw/zinc/25/20/72/300252072.db2.gz GYVMOZYXUAAMGE-SJLPKXTDSA-N 2 0 302.462 2.913 20 0 DFADRP C[C@@H]1C[C@H](CC[NH2+]Cc2ccnn2C)C[N@@H+]1Cc1ccccc1 ZINC000513493588 300257716 /nfs/dbraw/zinc/25/77/16/300257716.db2.gz BNXFQEUTLLGBTN-AEFFLSMTSA-N 2 0 312.461 2.810 20 0 DFADRP C[C@@H]1CN(C)C[C@@H]1[NH2+]CC[C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000513506382 300257997 /nfs/dbraw/zinc/25/79/97/300257997.db2.gz PWRVYAWLKZOXPY-BWPNAZKDSA-N 2 0 315.505 2.827 20 0 DFADRP COc1cccc(N2CCC[C@H]([NH2+][C@@H](C)[C@H]3CCC[NH2+]C3)C2)c1 ZINC000514930475 300279899 /nfs/dbraw/zinc/27/98/99/300279899.db2.gz IIKSZSYBDCDBER-ULQDDVLXSA-N 2 0 317.477 2.642 20 0 DFADRP C[C@H]([NH3+])C[C@H](C)[NH2+]Cc1ccc(OCC(F)(F)F)c(F)c1 ZINC000515061115 300288031 /nfs/dbraw/zinc/28/80/31/300288031.db2.gz SMNMGCWHJXGLSA-UWVGGRQHSA-N 2 0 308.319 2.982 20 0 DFADRP C[C@H]1CC[N@H+](CCNC(=O)CC[C@@H]([NH3+])CC2CCCCC2)C1 ZINC000515062650 300288435 /nfs/dbraw/zinc/28/84/35/300288435.db2.gz KGEPKMCCISGBSM-DOTOQJQBSA-N 2 0 309.498 2.522 20 0 DFADRP Cc1nn(-c2ccccc2)cc1CCC[NH2+][C@H]1CCC[C@@H]([NH3+])C1 ZINC000515074774 300289439 /nfs/dbraw/zinc/28/94/39/300289439.db2.gz YHVJTXMGJJNURU-MSOLQXFVSA-N 2 0 312.461 2.973 20 0 DFADRP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@@H+]2CC1Cc2ccccc2C1 ZINC000515099664 300290051 /nfs/dbraw/zinc/29/00/51/300290051.db2.gz NROVFFAMHAFDPP-AQNXPRMDSA-N 2 0 314.473 2.585 20 0 DFADRP C[C@@H]1CCCC[N@@H+]1CCC1CC[NH+](CCCC(=O)N(C)C)CC1 ZINC000515177956 300293667 /nfs/dbraw/zinc/29/36/67/300293667.db2.gz BDRRIYVHRCWGIX-QGZVFWFLSA-N 2 0 323.525 2.831 20 0 DFADRP CC[NH+](CC)[C@H](CN[C@@H](C)[C@H]1CCC[NH2+]C1)Cc1ccccc1 ZINC000515413255 300305665 /nfs/dbraw/zinc/30/56/65/300305665.db2.gz QOAXOKUHKCRNSP-IHPCNDPISA-N 2 0 317.521 2.917 20 0 DFADRP C[C@H]([NH2+]CC(C)(C)N1CCc2ccccc2C1)[C@@H]1CCC[NH2+]C1 ZINC000515634250 300315650 /nfs/dbraw/zinc/31/56/50/300315650.db2.gz UFBXIRNAXHIFPW-FUHWJXTLSA-N 2 0 315.505 2.801 20 0 DFADRP C[C@H]([NH2+][C@@H]1CCN(C)[C@H]1c1ccc(F)c(F)c1)[C@H]1CCC[NH2+]C1 ZINC000516046270 300327409 /nfs/dbraw/zinc/32/74/09/300327409.db2.gz UGCDOCZPONNXAD-KYABYICQSA-N 2 0 323.431 2.688 20 0 DFADRP CC[NH+]1CCC(CC[NH2+]C[C@H](O)CCc2ccccc2)CC1 ZINC000516276509 300337971 /nfs/dbraw/zinc/33/79/71/300337971.db2.gz BPOOXHQMIJNLSC-LJQANCHMSA-N 2 0 304.478 2.692 20 0 DFADRP COc1cccc(CC[NH2+][C@@H]2CC[N@H+](C)[C@@H]3CCC[C@H]32)c1OC ZINC000516324515 300340164 /nfs/dbraw/zinc/34/01/64/300340164.db2.gz JPDRFVHHCBDHSA-GVDBMIGSSA-N 2 0 318.461 2.709 20 0 DFADRP [NH3+][C@@H]1CCC[C@@H](C[NH2+]Cc2c(C3CC3)nc3sccn23)C1 ZINC000516551188 300348293 /nfs/dbraw/zinc/34/82/93/300348293.db2.gz URAXDZTYOONLNL-DGCLKSJQSA-N 2 0 304.463 2.880 20 0 DFADRP Cc1ccc(C[NH2+][C@@H]2CCC[C@@H]([NH3+])C2)c(OC[C@@H]2CCOC2)c1 ZINC000517041743 300380572 /nfs/dbraw/zinc/38/05/72/300380572.db2.gz YSSIKYOIEHPZEY-KBAYOESNSA-N 2 0 318.461 2.770 20 0 DFADRP COc1c[nH+]ccc1N1CC[NH+](Cc2ccc3cc[nH]c3c2)CC1 ZINC000529554515 300950375 /nfs/dbraw/zinc/95/03/75/300950375.db2.gz CHLGRRFJLLFTHM-UHFFFAOYSA-N 2 0 322.412 2.894 20 0 DFADRP CC(C)[C@@H]([NH2+]CCN1CC[NH+](Cc2ccccc2)CC1)C1CC1 ZINC000531676603 301103765 /nfs/dbraw/zinc/10/37/65/301103765.db2.gz UABGVWPDUQXZQY-HXUWFJFHSA-N 2 0 315.505 2.828 20 0 DFADRP C[C@H]([NH2+]CCCC[NH+]1CCN(C)CC1)c1ccc(F)c(F)c1 ZINC000531685685 301104279 /nfs/dbraw/zinc/10/42/79/301104279.db2.gz NADSFYCXQYPWHS-AWEZNQCLSA-N 2 0 311.420 2.643 20 0 DFADRP CCC[NH+]1CCC(C[NH2+]C2CCC(O)(C(F)(F)F)CC2)CC1 ZINC000531704006 301104593 /nfs/dbraw/zinc/10/45/93/301104593.db2.gz SDEJVNKNVBWCRW-UHFFFAOYSA-N 2 0 322.415 2.934 20 0 DFADRP CC[C@H]([NH2+][C@H](CN1CC[NH+](C)CC1)c1ccccc1)C1CC1 ZINC000531710386 301105276 /nfs/dbraw/zinc/10/52/76/301105276.db2.gz BIDVLSRMCSLEFY-RBUKOAKNSA-N 2 0 301.478 2.753 20 0 DFADRP CC[C@@H]([NH2+]Cc1cccc(OCC[NH+](C)C)c1)C1CCOCC1 ZINC000531955666 301120932 /nfs/dbraw/zinc/12/09/32/301120932.db2.gz PNSHPANUZKMLCS-LJQANCHMSA-N 2 0 320.477 2.922 20 0 DFADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CCc2ccc(C)o2)[C@H](C)C1 ZINC000532195812 301136116 /nfs/dbraw/zinc/13/61/16/301136116.db2.gz JCZNFLLDPLOLFZ-CRAIPNDOSA-N 2 0 308.466 2.857 20 0 DFADRP C[C@@H](C[NH2+][C@H]1CCc2c1cccc2Cl)CN1CC[NH+](C)CC1 ZINC000532216429 301136882 /nfs/dbraw/zinc/13/68/82/301136882.db2.gz QCTFXSFLVRKRQV-KSSFIOAISA-N 2 0 321.896 2.800 20 0 DFADRP C[C@H]1CC[N@H+](CCNC2CC[NH+]([C@@H]3CCC[C@@H](C)C3)CC2)C1 ZINC000532531762 301158719 /nfs/dbraw/zinc/15/87/19/301158719.db2.gz CLZAYBRWLHNTJU-ZIFCJYIRSA-N 2 0 307.526 2.961 20 0 DFADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C[C@@H]1CCCCC1(C)C ZINC000532790656 301172123 /nfs/dbraw/zinc/17/21/23/301172123.db2.gz VMZRHRKOQLWBOD-INIZCTEOSA-N 2 0 311.514 2.545 20 0 DFADRP CC[C@@H](C)[C@H]1CCCC[N@@H+]1CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000532967388 301179374 /nfs/dbraw/zinc/17/93/74/301179374.db2.gz AWNGWRDNBIRVAJ-CRAIPNDOSA-N 2 0 321.509 2.630 20 0 DFADRP O=C1CCCN1CCC[NH+]1CCC(CCC[NH+]2CCCC2)CC1 ZINC000533099061 301185955 /nfs/dbraw/zinc/18/59/55/301185955.db2.gz VHHQMOAHZAPQAH-UHFFFAOYSA-N 2 0 321.509 2.587 20 0 DFADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)CC1CCC(C)(C)CC1 ZINC000533110987 301186880 /nfs/dbraw/zinc/18/68/80/301186880.db2.gz YWYVDIQOEDNLOQ-UHFFFAOYSA-N 2 0 311.514 2.545 20 0 DFADRP C[N@H+](C[C@@H]1CCCOC1)[C@H]1CCC[NH+](C[C@@H]2CCCOC2)CC1 ZINC000533606410 301210179 /nfs/dbraw/zinc/21/01/79/301210179.db2.gz GTBOEDOMYNCUTA-FHWLQOOXSA-N 2 0 324.509 2.626 20 0 DFADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)[C@@H]1CC[C@H]2CCCC[C@@H]2C1 ZINC000535229317 301251527 /nfs/dbraw/zinc/25/15/27/301251527.db2.gz KZNMXDUCFHMYJU-KZNAEPCWSA-N 2 0 323.525 2.545 20 0 DFADRP C[NH+]1CCN(CCC[NH2+][C@@H]2CCCc3ccc(Cl)cc32)CC1 ZINC000536492089 301275905 /nfs/dbraw/zinc/27/59/05/301275905.db2.gz MUKBNEIMICEHPB-GOSISDBHSA-N 2 0 321.896 2.945 20 0 DFADRP CC[C@H]([NH2+]CCCC[NH+]1C[C@H](C)O[C@@H](C)C1)C1CCOCC1 ZINC000536857474 301291591 /nfs/dbraw/zinc/29/15/91/301291591.db2.gz LPNYYEYFIQENNN-BQFCYCMXSA-N 2 0 312.498 2.671 20 0 DFADRP CC[C@@H]([NH2+]CCCC[NH+]1CCN(C)CC1)c1ccccc1F ZINC000538709364 301328743 /nfs/dbraw/zinc/32/87/43/301328743.db2.gz SZTRCWVTMGQYNW-GOSISDBHSA-N 2 0 307.457 2.894 20 0 DFADRP CC[C@H](C)NC(=O)C[NH+]1CCC(CC[N@H+](CC)CC2CC2)CC1 ZINC000538950476 301335680 /nfs/dbraw/zinc/33/56/80/301335680.db2.gz UWRQBPNOJQLBAB-INIZCTEOSA-N 2 0 323.525 2.735 20 0 DFADRP CN1CC[NH+](CCCC[NH2+][C@@H]2CCCc3cc(F)ccc32)CC1 ZINC000539306719 301340311 /nfs/dbraw/zinc/34/03/11/301340311.db2.gz FSRDXFCXYCLJKD-LJQANCHMSA-N 2 0 319.468 2.820 20 0 DFADRP CC[NH+](CC)CCCC1CC[NH+](CCCN2CCCC2=O)CC1 ZINC000541091396 301382640 /nfs/dbraw/zinc/38/26/40/301382640.db2.gz WSLZZDIDJGKPAK-UHFFFAOYSA-N 2 0 323.525 2.833 20 0 DFADRP CC[N@@H+]1CC[C@H]([NH2+]CCc2ccc(F)c(F)c2F)[C@H](C)C1 ZINC000541571820 301390042 /nfs/dbraw/zinc/39/00/42/301390042.db2.gz UKIBQHSGEBQXCU-RISCZKNCSA-N 2 0 300.368 2.966 20 0 DFADRP O=C(C[NH2+]CC1CCCCCC1)NCC[NH+]1CCCCCC1 ZINC000552064920 301679196 /nfs/dbraw/zinc/67/91/96/301679196.db2.gz YWBSKGWNMARMNZ-UHFFFAOYSA-N 2 0 309.498 2.539 20 0 DFADRP CCOc1ccc(Cl)cc1[C@H](C)[NH2+]CCOCC[NH+](C)C ZINC000556077985 301784080 /nfs/dbraw/zinc/78/40/80/301784080.db2.gz BFQOXGKQKRNWNE-ZDUSSCGKSA-N 2 0 314.857 2.968 20 0 DFADRP C[C@H]([NH3+])[C@@H]1COCC[C@H]1[NH2+]Cc1ccc(-c2cccnc2)cc1 ZINC000562958944 302017863 /nfs/dbraw/zinc/01/78/63/302017863.db2.gz YOTPTIUQDUFDMB-ZOCIIQOWSA-N 2 0 311.429 2.591 20 0 DFADRP C[C@@H]1C[C@H]([NH3+])CC[N@@H+]1Cc1cccc(OCc2ccccn2)c1 ZINC000563351409 302065119 /nfs/dbraw/zinc/06/51/19/302065119.db2.gz YZQYRBPCIIFDJV-NVXWUHKLSA-N 2 0 311.429 2.972 20 0 DFADRP O[C@@H](C[NH2+]C[C@H]1CC[N@@H+](C2CC2)C1)Cc1ccc2ccccc2c1 ZINC000563528789 302080089 /nfs/dbraw/zinc/08/00/89/302080089.db2.gz GOZHUDNBCLYIEU-DYESRHJHSA-N 2 0 324.468 2.817 20 0 DFADRP C[C@@H](c1ccccc1)[C@H](O)C[NH2+]CCN(C)Cc1ccccc1 ZINC000563861115 302103970 /nfs/dbraw/zinc/10/39/70/302103970.db2.gz KCWXVNLPFANXNH-FXAWDEMLSA-N 2 0 312.457 2.873 20 0 DFADRP CC[N@H+](Cc1ccc(C(=O)N[C@@H](C)C[C@@H](C)[NH3+])cc1)C1CC1 ZINC000563961196 302111979 /nfs/dbraw/zinc/11/19/79/302111979.db2.gz ZBUNWFDHNQWQHT-KGLIPLIRSA-N 2 0 303.450 2.527 20 0 DFADRP Cc1cccc2c1OC[C@@H]([NH2+]C1CC[NH+](CC3CC3)CC1)C2 ZINC000564007873 302113908 /nfs/dbraw/zinc/11/39/08/302113908.db2.gz PEFIIDVRQODLON-SFHVURJKSA-N 2 0 300.446 2.763 20 0 DFADRP C[C@H]([NH2+][C@@H](C)C1C[NH2+]C1)c1ccc(NC(=O)c2ccncc2)cc1 ZINC000564074305 302116915 /nfs/dbraw/zinc/11/69/15/302116915.db2.gz TULYSRMQZPATCF-KBPBESRZSA-N 2 0 324.428 2.592 20 0 DFADRP Cc1cnn([C@@H]2CC[N@H+](Cc3cn(-c4cc[nH+]cc4)nc3C)C2)c1 ZINC000564539736 302140376 /nfs/dbraw/zinc/14/03/76/302140376.db2.gz BSUKZSAIXRCOFA-GOSISDBHSA-N 2 0 322.416 2.528 20 0 DFADRP CC(C)(C(=O)NCC[NH+]1CCCCCC1)[C@@H]([NH3+])c1ccccc1 ZINC000564563901 302141292 /nfs/dbraw/zinc/14/12/92/302141292.db2.gz DJEFRLCTBICXDL-KRWDZBQOSA-N 2 0 317.477 2.705 20 0 DFADRP C[C@@H](CCc1n[nH]c2ccccc21)[NH2+][C@@H]1CCc2nc[nH]c2C1 ZINC000564615981 302144503 /nfs/dbraw/zinc/14/45/03/302144503.db2.gz MMIBTWWWOGZXLW-QWHCGFSZSA-N 2 0 309.417 2.754 20 0 DFADRP COc1ccc([C@H](C[NH3+])C[N@H+](C)Cc2cccc(O)c2)cc1 ZINC000564719244 302152998 /nfs/dbraw/zinc/15/29/98/302152998.db2.gz XRQMHVBENTXHKI-MRXNPFEDSA-N 2 0 300.402 2.575 20 0 DFADRP Cc1c([C@@H](C)[NH2+]CC[C@@H]2CC[NH2+]C2)nnn1-c1ccc(C)cc1 ZINC000564821890 302161131 /nfs/dbraw/zinc/16/11/31/302161131.db2.gz ABIZQJDFENBSSI-ZBFHGGJFSA-N 2 0 313.449 2.534 20 0 DFADRP C[C@@H](CC[NH+](C)C)[NH2+]C[C@@H](O)Cc1ccccc1C(F)(F)F ZINC000564855757 302165269 /nfs/dbraw/zinc/16/52/69/302165269.db2.gz HGAKGZHMQWAIQS-JSGCOSHPSA-N 2 0 318.383 2.539 20 0 DFADRP OC1(C[NH2+]C[C@@H]2CCCC[N@H+](Cc3ccccc3)C2)CCC1 ZINC000564868225 302166750 /nfs/dbraw/zinc/16/67/50/302166750.db2.gz DHYZVNAMYMXLMH-SFHVURJKSA-N 2 0 302.462 2.793 20 0 DFADRP CC(C)[NH+](CCCNC(=O)CC1(C[NH3+])CCCCC1)C(C)C ZINC000564923851 302173996 /nfs/dbraw/zinc/17/39/96/302173996.db2.gz PGXUZSIVKRNUPA-UHFFFAOYSA-N 2 0 311.514 2.911 20 0 DFADRP C[NH+](C)[C@H](CNC(=O)[C@]1(C)CCCC[NH2+]1)c1ccc(Cl)cc1 ZINC000564925920 302174323 /nfs/dbraw/zinc/17/43/23/302174323.db2.gz CYPTTWIFTQGWOK-WBVHZDCISA-N 2 0 323.868 2.591 20 0 DFADRP C[N@@H+]1CCCC[C@@H]1CCC(=O)N[C@H](CCC[NH3+])c1ccccc1 ZINC000564956825 302176885 /nfs/dbraw/zinc/17/68/85/302176885.db2.gz WEBVWTJYXMCCRA-QZTJIDSGSA-N 2 0 317.477 2.847 20 0 DFADRP COc1ccc([C@H](C[NH3+])C[N@@H+]2CCC[C@@H]2[C@H]2CCCOC2)cc1 ZINC000564989557 302179942 /nfs/dbraw/zinc/17/99/42/302179942.db2.gz RBLDRGMAXLUOOM-YQVWRLOYSA-N 2 0 318.461 2.629 20 0 DFADRP COc1ccc([C@H](CN[C@@H]2CCC[C@@H]([NH3+])C2)[NH+]2CCCC2)cc1 ZINC000565225297 302209842 /nfs/dbraw/zinc/20/98/42/302209842.db2.gz CGPZHGHBGNUYID-LMMKCTJWSA-N 2 0 317.477 2.692 20 0 DFADRP Brc1cccc2c1C[C@H]([NH2+]CCN1CCCC1)CC2 ZINC000565293034 302215885 /nfs/dbraw/zinc/21/58/85/302215885.db2.gz NWLYYKVGUWOBTA-CQSZACIVSA-N 2 0 323.278 2.992 20 0 DFADRP c1ccc(CN2CC[C@H]([NH2+]C[C@@H]3CCCO3)CC23CC3)cc1 ZINC000565304467 302216963 /nfs/dbraw/zinc/21/69/63/302216963.db2.gz ZBYFCQLLEBUACA-ROUUACIJSA-N 2 0 300.446 2.952 20 0 DFADRP Cc1ccc(-c2cc(CN3CCN(c4ncc[nH]4)CC3)on2)cc1 ZINC000565339775 302218797 /nfs/dbraw/zinc/21/87/97/302218797.db2.gz AYYDPGNOZQNGES-UHFFFAOYSA-N 2 0 323.400 2.695 20 0 DFADRP CC(C)C[C@H](CNC(=O)C(C)(C)[NH3+])[NH2+][C@@H](C)c1ccccc1 ZINC000565361408 302220489 /nfs/dbraw/zinc/22/04/89/302220489.db2.gz NIRBZSVEMCBXMH-GOEBONIOSA-N 2 0 305.466 2.605 20 0 DFADRP CCC1(C)CCC([NH2+]Cc2nnc(C3CC[NH2+]CC3)[nH]2)CC1 ZINC000566103677 302259891 /nfs/dbraw/zinc/25/98/91/302259891.db2.gz FPKJQESCRAQNTH-UHFFFAOYSA-N 2 0 305.470 2.720 20 0 DFADRP CC(C)C[N@@H+]1CCC[C@H](C[NH2+]C[C@H](O)CCc2ccccc2)C1 ZINC000566114540 302260635 /nfs/dbraw/zinc/26/06/35/302260635.db2.gz IZPINZIHWADANS-WOJBJXKFSA-N 2 0 318.505 2.938 20 0 DFADRP CC[N@H+](Cc1ccc(C(=O)NCCC[NH2+]C(C)C)cc1)C1CC1 ZINC000566199248 302267461 /nfs/dbraw/zinc/26/74/61/302267461.db2.gz VTIUROQQRQNNKD-UHFFFAOYSA-N 2 0 317.477 2.789 20 0 DFADRP COCCCOc1ccc(C[NH2+][C@H](C)[C@H]2CCC[NH2+]C2)cc1 ZINC000566555760 302294640 /nfs/dbraw/zinc/29/46/40/302294640.db2.gz XIBMGYPORGKPPU-WBVHZDCISA-N 2 0 306.450 2.580 20 0 DFADRP c1cc2c(cc1C[NH+]1CCC([C@@H]3CCCO3)CC1)C[NH2+]CC2 ZINC000566743211 302308921 /nfs/dbraw/zinc/30/89/21/302308921.db2.gz PAFKIDNBGRQRSG-IBGZPJMESA-N 2 0 300.446 2.723 20 0 DFADRP [NH3+]C[C@H]1CCC[C@H]1[NH2+]Cc1cccc(NC(=O)c2ccccn2)c1 ZINC000566967961 302326004 /nfs/dbraw/zinc/32/60/04/302326004.db2.gz ZUYYMSHZKQSNPG-NVXWUHKLSA-N 2 0 324.428 2.551 20 0 DFADRP C[C@H](CNC(=O)CC[C@H]([NH3+])CC1CCCCC1)[NH+]1CCCC1 ZINC000567164809 302340854 /nfs/dbraw/zinc/34/08/54/302340854.db2.gz XLYIKSOGZVOGHU-WBVHZDCISA-N 2 0 309.498 2.665 20 0 DFADRP [NH3+]CC1CCC([NH2+]Cc2ccc(OCC(F)(F)F)nc2)CC1 ZINC000567242414 302344395 /nfs/dbraw/zinc/34/43/95/302344395.db2.gz YZIAZEGLFHGTDR-UHFFFAOYSA-N 2 0 317.355 2.630 20 0 DFADRP [NH3+][C@@H]1CCC[C@H](NCC2([NH+]3CCSCC3)CCCCC2)C1 ZINC000567249890 302345690 /nfs/dbraw/zinc/34/56/90/302345690.db2.gz XSLLWFRVTJUBNE-CVEARBPZSA-N 2 0 311.539 2.598 20 0 DFADRP C[C@H](CCc1n[nH]c2ccccc21)[NH2+]C[C@@]1(C)CCC[NH2+]C1 ZINC000567471857 302361513 /nfs/dbraw/zinc/36/15/13/302361513.db2.gz PRGSIXTVFSKWHR-KDOFPFPSSA-N 2 0 300.450 2.863 20 0 DFADRP COC[C@]1(CN[C@@H](C)c2ccc(Cl)c(F)c2)CCC[NH2+]1 ZINC000567580243 302369598 /nfs/dbraw/zinc/36/95/98/302369598.db2.gz JRNGGWOCSMWUCW-XHDPSFHLSA-N 2 0 300.805 2.898 20 0 DFADRP COCC[NH2+]C1CCN(c2cc(C)[nH+]c3ccc(F)cc32)CC1 ZINC000567617654 302373958 /nfs/dbraw/zinc/37/39/58/302373958.db2.gz QCZZEAPDIJOQBC-UHFFFAOYSA-N 2 0 317.408 2.887 20 0 DFADRP [NH3+]C[C@H]1CCC[C@H]1[NH2+]Cc1cccc(NC(=O)c2ccncc2)c1 ZINC000567642379 302375811 /nfs/dbraw/zinc/37/58/11/302375811.db2.gz RELFOFGVAIHTKU-SJLPKXTDSA-N 2 0 324.428 2.551 20 0 DFADRP Fc1ccc([C@H]([NH2+]CCC2=CC[NH2+]CC2)c2ncc[nH]2)cc1 ZINC000567652910 302376278 /nfs/dbraw/zinc/37/62/78/302376278.db2.gz NHGWLYWKTMIBPA-INIZCTEOSA-N 2 0 300.381 2.538 20 0 DFADRP Cc1ccc(C)c(OC[C@H](O)C[NH2+]C2CCC([NH+](C)C)CC2)c1 ZINC000567692791 302380603 /nfs/dbraw/zinc/38/06/03/302380603.db2.gz CVDAWBRBFJNZRV-DAWZGUTISA-N 2 0 320.477 2.506 20 0 DFADRP CC[C@@H](C)[N@H+](C)CCNC(=O)C(C)(C)[C@H]([NH3+])c1ccccc1 ZINC000567894139 302397288 /nfs/dbraw/zinc/39/72/88/302397288.db2.gz MHLZVURBVJBMRC-GDBMZVCRSA-N 2 0 305.466 2.559 20 0 DFADRP C[C@@H]1CC[N@H+](C[C@H](O)[C@@H]([NH3+])Cc2ccccc2)[C@H]2CCCC[C@H]12 ZINC000567897399 302397808 /nfs/dbraw/zinc/39/78/08/302397808.db2.gz FDFDEMDZKXVULK-LGKHCZOZSA-N 2 0 316.489 2.818 20 0 DFADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+]Cc1cc(Cl)c2c(c1)OCCO2 ZINC000568727446 302472479 /nfs/dbraw/zinc/47/24/79/302472479.db2.gz ZLPDSGVNYNRXOH-ZAQWFSBCSA-N 2 0 322.836 2.717 20 0 DFADRP C[NH+](C)Cc1ccc(NC(=O)[C@]2(c3ccccc3)CC[NH2+]C2)cc1 ZINC000568877756 302480577 /nfs/dbraw/zinc/48/05/77/302480577.db2.gz XLLMYVRIKGWNCW-HXUWFJFHSA-N 2 0 323.440 2.618 20 0 DFADRP COc1ccccc1OCC[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000569566736 302525708 /nfs/dbraw/zinc/52/57/08/302525708.db2.gz YVZLCXSQIWGQCJ-XHSDSOJGSA-N 2 0 304.434 2.584 20 0 DFADRP CC[NH+]1CCC(C[NH2+][C@@H]2CCC[C@@H](c3ccnn3C)C2)CC1 ZINC000571508505 302620534 /nfs/dbraw/zinc/62/05/34/302620534.db2.gz CNAQZVVNIWWNEO-IAGOWNOFSA-N 2 0 304.482 2.768 20 0 DFADRP C[C@H](CC(=O)N(C)c1ccccc1)[NH2+]Cc1ccc(C[NH3+])cc1 ZINC000571882660 302636553 /nfs/dbraw/zinc/63/65/53/302636553.db2.gz URZIXAXLHILLQQ-OAHLLOKOSA-N 2 0 311.429 2.677 20 0 DFADRP Cc1cccc(NC(=O)C[C@H](C)[NH2+]C[C@@H]2CCC[C@H]([NH3+])C2)c1 ZINC000572112057 302643372 /nfs/dbraw/zinc/64/33/72/302643372.db2.gz BTAURBFAFVSLGB-XHSDSOJGSA-N 2 0 303.450 2.819 20 0 DFADRP C[C@H]1CC(C)(C)C[C@@](CO)([NH2+]Cc2ccc3c(c2)C[NH2+]CC3)C1 ZINC000572295171 302653743 /nfs/dbraw/zinc/65/37/43/302653743.db2.gz XZUULPNGRQFJQA-YWZLYKJASA-N 2 0 316.489 2.999 20 0 DFADRP C[C@H]([NH2+][C@@H]1CCCN(c2ccccc2F)C1)[C@H]1CCC[NH2+]C1 ZINC000573437024 302704513 /nfs/dbraw/zinc/70/45/13/302704513.db2.gz MCNMHMCBHQAVTA-HRCADAONSA-N 2 0 305.441 2.772 20 0 DFADRP Clc1cccc([C@@H]2C[NH2+]CCN2CCC2CC[NH2+]CC2)c1 ZINC000261887462 302887670 /nfs/dbraw/zinc/88/76/70/302887670.db2.gz VESKQHJGJOPHEL-KRWDZBQOSA-N 2 0 307.869 2.676 20 0 DFADRP C[C@@H]1CC[NH+](CC2(C[N@H+]3CC[C@H](C)[C@H](C)C3)COC2)C[C@@H]1C ZINC000182384240 316100344 /nfs/dbraw/zinc/10/03/44/316100344.db2.gz LMOSDEHIBGPUCS-FZDBZEDMSA-N 2 0 308.510 2.959 20 0 DFADRP C[C@H](CCNC(=O)[C@H](C)[NH+]1[C@@H](C)CC[C@@H]1C)[NH+]1CCCCC1 ZINC000182918144 316123093 /nfs/dbraw/zinc/12/30/93/316123093.db2.gz AFMJVVWTXVHKMX-QZWWFDLISA-N 2 0 309.498 2.628 20 0 DFADRP C[C@@H]([NH2+]CCCC[N@@H+]1CCC[C@@H]1CO)c1cccc(F)c1F ZINC000183262483 316135096 /nfs/dbraw/zinc/13/50/96/316135096.db2.gz NYZZOWZQTWQYMX-ZIAGYGMSSA-N 2 0 312.404 2.852 20 0 DFADRP CC[N@H+](CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C)C1CCCC1 ZINC000184947846 316177295 /nfs/dbraw/zinc/17/72/95/316177295.db2.gz POWNLPSXYMPEND-SFHVURJKSA-N 2 0 317.477 2.670 20 0 DFADRP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@H](C)C12CC3CC(CC(C3)C1)C2 ZINC000185393266 316185365 /nfs/dbraw/zinc/18/53/65/316185365.db2.gz AHIGLOBHALZLQA-SBXPZINTSA-N 2 0 319.537 2.817 20 0 DFADRP C[C@@H]([NH2+]CCC[N@@H+]1CCC[C@@H](C(N)=O)C1)c1ccc(Cl)cc1 ZINC000346098801 316318063 /nfs/dbraw/zinc/31/80/63/316318063.db2.gz LSGVYNFVYCPRRO-UKRRQHHQSA-N 2 0 323.868 2.578 20 0 DFADRP COc1ccc(C)cc1C[NH+]1CCC(OCC[NH+](C)C)CC1 ZINC000353528008 316534265 /nfs/dbraw/zinc/53/42/65/316534265.db2.gz FNCUZPZUBYRSDI-UHFFFAOYSA-N 2 0 306.450 2.546 20 0 DFADRP Cc1noc(C)c1C(C)(C)[NH2+]CCCN1CC[NH+](C(C)C)CC1 ZINC000353539765 316537853 /nfs/dbraw/zinc/53/78/53/316537853.db2.gz AJSKAMWUTKAGOU-UHFFFAOYSA-N 2 0 322.497 2.532 20 0 DFADRP COC(=O)C[C@@H]1CC[C@H]([NH2+][C@@H](CC[NH+](C)C)C(C)(C)C)[C@@H]1C ZINC000354332262 316541476 /nfs/dbraw/zinc/54/14/76/316541476.db2.gz HSWVTJNILXPNMX-UGUYLWEFSA-N 2 0 312.498 2.920 20 0 DFADRP COc1ccccc1C[NH+]1CCC(CC[NH+]2CCOCC2)CC1 ZINC000359864912 316565190 /nfs/dbraw/zinc/56/51/90/316565190.db2.gz CFNUZCAQERHDON-UHFFFAOYSA-N 2 0 318.461 2.630 20 0 DFADRP CC(C)c1nc(C2([NH2+]C[C@@H]3CC[NH2+][C@@H](C)C3)CCCC2)no1 ZINC000414703437 316637020 /nfs/dbraw/zinc/63/70/20/316637020.db2.gz JAFYTTNOPFFHMH-UONOGXRCSA-N 2 0 306.454 2.940 20 0 DFADRP C[C@H]1C[C@@H](C[NH+]2CCC(N3CCc4ccccc43)CC2)CC[NH2+]1 ZINC000414760423 316648411 /nfs/dbraw/zinc/64/84/11/316648411.db2.gz YQKYSQQQNWAAHN-IRXDYDNUSA-N 2 0 313.489 2.902 20 0 DFADRP O[C@H]1C[NH2+]C[C@@H]1C[NH2+]Cc1ccc(-c2cccc(Cl)c2)s1 ZINC000414775229 316650382 /nfs/dbraw/zinc/65/03/82/316650382.db2.gz BPOKHAYUGFIUJZ-WFASDCNBSA-N 2 0 322.861 2.738 20 0 DFADRP COc1cc(C[NH2+][C@H]2CCC[C@H]2C[NH3+])c(SC)cc1OC ZINC000414792476 316658930 /nfs/dbraw/zinc/65/89/30/316658930.db2.gz IYRHNSHGVNZDKZ-AAEUAGOBSA-N 2 0 310.463 2.643 20 0 DFADRP [NH3+]C[C@@H]1CCC[C@H]1[NH2+]Cc1cccc(OCc2ccccn2)c1 ZINC000414791182 316659081 /nfs/dbraw/zinc/65/90/81/316659081.db2.gz HGWDTJXZNTWVMH-QFBILLFUSA-N 2 0 311.429 2.878 20 0 DFADRP COc1cc(C[NH2+][C@@H]2CCC[C@@H]2C[NH3+])ccc1OC(F)F ZINC000414801059 316662276 /nfs/dbraw/zinc/66/22/76/316662276.db2.gz SYYLXJBIPDIDMZ-VXGBXAGGSA-N 2 0 300.349 2.514 20 0 DFADRP CCCN(CC[NH+]1CCCCC1)C(=O)NCC1([NH3+])CCCCC1 ZINC000418294484 316719894 /nfs/dbraw/zinc/71/98/94/316719894.db2.gz HKLDLWYYXSYDMB-UHFFFAOYSA-N 2 0 324.513 2.556 20 0 DFADRP CCC[C@@H]1[C@@H](C)CCCN1C(=O)CCC[NH+]1CCC([NH3+])CC1 ZINC000433140199 316880704 /nfs/dbraw/zinc/88/07/04/316880704.db2.gz FIYLGVHVBJLDBX-DOTOQJQBSA-N 2 0 309.498 2.617 20 0 DFADRP COC[C@H]([NH2+]Cc1ccc(OCC[NH+](C)C)cc1)C1CCCC1 ZINC000446757483 317022307 /nfs/dbraw/zinc/02/23/07/317022307.db2.gz BAKYFCCPJVGUOS-IBGZPJMESA-N 2 0 320.477 2.922 20 0 DFADRP C[C@H](c1ccccc1)[C@H](O)C[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000450432379 317092093 /nfs/dbraw/zinc/09/20/93/317092093.db2.gz ABXLSCUWAZCRCW-WSTZPKSXSA-N 2 0 316.489 2.959 20 0 DFADRP COC(=O)C1(C[NH+]2CCC(CC[N@@H+]3CCCC[C@H]3C)CC2)CC1 ZINC000450493933 317097166 /nfs/dbraw/zinc/09/71/66/317097166.db2.gz HQDDFBOQDRDTTE-MRXNPFEDSA-N 2 0 322.493 2.916 20 0 DFADRP Cc1ccnc(N2CCN(C[C@H]3CCCC[N@H+]3C(C)C)CC2)c1 ZINC000450503150 317100696 /nfs/dbraw/zinc/10/06/96/317100696.db2.gz RGBNOWXAJFGGND-GOSISDBHSA-N 2 0 316.493 2.775 20 0 DFADRP COC1([C@@H](C)[NH2+]CCCC[N@@H+]2CCC[C@@H](C)C2)CCOCC1 ZINC000453062810 317157695 /nfs/dbraw/zinc/15/76/95/317157695.db2.gz QQPSYQFXWYFQFN-IAGOWNOFSA-N 2 0 312.498 2.672 20 0 DFADRP CC(C)[C@@H](C[NH2+][C@H](C1CC1)C1CCCC1)N1CC[NH+](C)CC1 ZINC000453067469 317159065 /nfs/dbraw/zinc/15/90/65/317159065.db2.gz ANDVBYCRIVTQFQ-MOPGFXCFSA-N 2 0 307.526 2.817 20 0 DFADRP C[C@@H](C[NH2+][C@H]1CC[C@@H](C)c2ccsc21)N1CC[NH+](C)CC1 ZINC000453095854 317162132 /nfs/dbraw/zinc/16/21/32/317162132.db2.gz HMUFRMCRXXJINP-YCPHGPKFSA-N 2 0 307.507 2.912 20 0 DFADRP C[C@@H]1CC[C@H]([NH2+]CC2CC[NH+](CCO)CC2)c2sccc21 ZINC000453102193 317162914 /nfs/dbraw/zinc/16/29/14/317162914.db2.gz OXWITVFASOQPDQ-CJNGLKHVSA-N 2 0 308.491 2.980 20 0 DFADRP c1cnn(CC[NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@H]3CCC[C@@H]32)c1 ZINC000453140542 317164947 /nfs/dbraw/zinc/16/49/47/317164947.db2.gz QJFRVCIJTWABMX-AABGKKOBSA-N 2 0 324.472 2.916 20 0 DFADRP COc1ncc(C[NH2+][C@@H]2CC[N@H+](C)[C@@H]3CCC[C@@H]32)cc1Cl ZINC000453292275 317176697 /nfs/dbraw/zinc/17/66/97/317176697.db2.gz NIWJSRUCJWWECU-BPLDGKMQSA-N 2 0 309.841 2.706 20 0 DFADRP Cc1cc2ncc([C@H](C)[NH2+]CCCC[N@H+](C)C3CC3)c(C)n2n1 ZINC000453405851 317183906 /nfs/dbraw/zinc/18/39/06/317183906.db2.gz QOLJSLSMHIHHHG-AWEZNQCLSA-N 2 0 315.465 2.871 20 0 DFADRP C[N@H+](CCCC[NH2+]Cc1cnc([C@@H]2CCCO2)s1)C1CC1 ZINC000453596408 317192458 /nfs/dbraw/zinc/19/24/58/317192458.db2.gz LBWFJJIYKXHISF-HNNXBMFYSA-N 2 0 309.479 2.959 20 0 DFADRP CCC(C)(C)OCC[NH2+]Cc1cn(-c2cc[nH+]cc2)nc1C ZINC000453622526 317194570 /nfs/dbraw/zinc/19/45/70/317194570.db2.gz YAXZWXVSYPBMJA-UHFFFAOYSA-N 2 0 302.422 2.871 20 0 DFADRP Cc1nc2ccccc2n1CC[NH2+]Cc1cnc(C2CC2)nc1 ZINC000459367763 317322703 /nfs/dbraw/zinc/32/27/03/317322703.db2.gz CGFDWCQCHFJVRF-UHFFFAOYSA-N 2 0 307.401 2.802 20 0 DFADRP C[C@H]1C[N@H+](CCC[NH2+]CCc2ccc(Cl)cc2)CCCO1 ZINC000459504926 317327116 /nfs/dbraw/zinc/32/71/16/317327116.db2.gz JCKLTWIOQUJJQB-HNNXBMFYSA-N 2 0 310.869 2.973 20 0 DFADRP CC[NH+](CC)Cc1ccc(NC(=O)[C@H]2C[N@H+](C)C[C@@H]2C)cc1 ZINC000487437670 317346170 /nfs/dbraw/zinc/34/61/70/317346170.db2.gz IRGIDGBAAINJOU-YOEHRIQHSA-N 2 0 303.450 2.665 20 0 DFADRP COCCC[NH+]1CCC([NH2+][C@@H]2CS[C@@H](C(C)C)C2)CC1 ZINC000488435038 317392397 /nfs/dbraw/zinc/39/23/97/317392397.db2.gz QZHNPSBGYAZOGM-JKSUJKDBSA-N 2 0 300.512 2.607 20 0 DFADRP COCCC[NH+]1CCC([NH2+][C@H]2CS[C@H](C(C)(C)C)C2)CC1 ZINC000488440751 317393373 /nfs/dbraw/zinc/39/33/73/317393373.db2.gz QGMQPHNUQSDDPW-CVEARBPZSA-N 2 0 314.539 2.997 20 0 DFADRP CC(C)(C)[C@H]1C[C@H]([NH2+]CCCC[NH+]2CCOCC2)CS1 ZINC000488449757 317394694 /nfs/dbraw/zinc/39/46/94/317394694.db2.gz OUPNPIVPQFSANV-LSDHHAIUSA-N 2 0 300.512 2.609 20 0 DFADRP CC(C)C1CC([NH2+]Cc2ccc(C(=O)NCC[NH+](C)C)cc2)C1 ZINC000488505076 317398363 /nfs/dbraw/zinc/39/83/63/317398363.db2.gz QVLBHRUZRXTEDJ-UHFFFAOYSA-N 2 0 317.477 2.502 20 0 DFADRP ClC1(Cl)C[C@@H]1CC[NH+]1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000530240447 317777872 /nfs/dbraw/zinc/77/78/72/317777872.db2.gz LCMDYBIVBHVVHS-KBPBESRZSA-N 2 0 321.292 2.661 20 0 DFADRP CC(C)(C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1)C(=O)N1CCCC1 ZINC000530226516 317777269 /nfs/dbraw/zinc/77/72/69/317777269.db2.gz RODGDBDUDNLMSI-IXDOHACOSA-N 2 0 321.509 2.535 20 0 DFADRP CCc1ccc(C[NH2+]C(C)(C)CCN2CC[NH+](C)CC2)s1 ZINC000545313113 317840637 /nfs/dbraw/zinc/84/06/37/317840637.db2.gz XAVJXTODRRPEQL-UHFFFAOYSA-N 2 0 309.523 2.816 20 0 DFADRP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]CCc1nc(-c2cccc(Cl)c2)no1 ZINC000566091205 317937155 /nfs/dbraw/zinc/93/71/55/317937155.db2.gz ARWCYZLVKKZCPN-JSGCOSHPSA-N 2 0 320.824 2.650 20 0 DFADRP [NH3+]CCCCC(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC000572757318 318002804 /nfs/dbraw/zinc/00/28/04/318002804.db2.gz JLURVYNTGYLCJY-UHFFFAOYSA-N 2 0 303.450 2.783 20 0 DFADRP CC1=C[C@@H](C)C[C@H](C[NH2+][C@@H](CC(C)C)C(=O)NCC[NH+](C)C)C1 ZINC000573409429 318018618 /nfs/dbraw/zinc/01/86/18/318018618.db2.gz OHHJUDODSJFOHZ-NJAFHUGGSA-N 2 0 323.525 2.661 20 0 DFADRP CC[NH+](CC)CCOc1ccc(C[NH2+][C@H]2CCC[C@H]([NH3+])C2)cc1 ZINC000574530685 318022765 /nfs/dbraw/zinc/02/27/65/318022765.db2.gz DCXYLOYDDSHBOS-ROUUACIJSA-N 3 0 319.493 2.767 20 0 DFADRP C[C@H]([NH2+]CC[C@@H]1CC[NH2+]C1)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000574683303 318033076 /nfs/dbraw/zinc/03/30/76/318033076.db2.gz BXARVNTVQCBPPX-STQMWFEESA-N 2 0 301.434 2.567 20 0 DFADRP C[C@H]([NH3+])c1ccc(CNC(=O)CC[C@H]2CCCC[N@@H+]2C)cc1 ZINC000575121838 318064637 /nfs/dbraw/zinc/06/46/37/318064637.db2.gz JFEHKLCIMHTQPQ-WMLDXEAASA-N 2 0 303.450 2.587 20 0 DFADRP C[C@@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]Cc1cccc(-n2cncn2)c1 ZINC000576010248 318098618 /nfs/dbraw/zinc/09/86/18/318098618.db2.gz YFWBHISHBFTUFS-RDJZCZTQSA-N 2 0 313.449 2.668 20 0 DFADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]Cc1ccc(-n2cncn2)cc1 ZINC000576338063 318119340 /nfs/dbraw/zinc/11/93/40/318119340.db2.gz IINDKVLZXAWUMM-WBVHZDCISA-N 2 0 313.449 2.668 20 0 DFADRP OC1(C(F)(F)F)CCC([NH2+]C[C@H]2CCCCN2C2CC2)CC1 ZINC000576427547 318125249 /nfs/dbraw/zinc/12/52/49/318125249.db2.gz FVRNCGHBVUTWBL-HNFVBEJKSA-N 2 0 320.399 2.829 20 0 DFADRP CCOc1cc(CCC[NH2+][C@@H]2CCC[C@H]([NH3+])C2)ccc1OC ZINC000576718019 318145942 /nfs/dbraw/zinc/14/59/42/318145942.db2.gz NVMHTECSZNLVGL-JKSUJKDBSA-N 2 0 306.450 2.886 20 0 DFADRP C[C@H]([NH2+]CCc1cccc(Br)c1)[C@H]1CCC[NH2+]C1 ZINC000577161757 318174792 /nfs/dbraw/zinc/17/47/92/318174792.db2.gz QAAARFVOGVOQIQ-JSGCOSHPSA-N 2 0 311.267 2.969 20 0 DFADRP OCC1(CC[NH2+][C@H]2CCN(Cc3ccccc3)C3(CC3)C2)CC1 ZINC000577492043 318196665 /nfs/dbraw/zinc/19/66/65/318196665.db2.gz CCLIDXWQLHZXQW-SFHVURJKSA-N 2 0 314.473 2.936 20 0 DFADRP C[C@H]1C[C@H](CCNC(=O)CCCC[NH3+])C[N@@H+]1Cc1ccccc1 ZINC000577511110 318198650 /nfs/dbraw/zinc/19/86/50/318198650.db2.gz ZRSUEZKRNNAVET-WMZOPIPTSA-N 2 0 317.477 2.532 20 0 DFADRP CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)NCC1([NH3+])CCCCCC1 ZINC000577605681 318204694 /nfs/dbraw/zinc/20/46/94/318204694.db2.gz OQUOYBCDBFANEP-MRXNPFEDSA-N 2 0 324.513 2.554 20 0 DFADRP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)Nc1ccc2c(c1)C[NH2+]C2 ZINC000577710646 318211559 /nfs/dbraw/zinc/21/15/59/318211559.db2.gz CASVZCXQBUNBBY-KGLIPLIRSA-N 2 0 316.449 2.532 20 0 DFADRP Cc1c(Cl)cccc1NC(=O)CC[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000577720388 318212383 /nfs/dbraw/zinc/21/23/83/318212383.db2.gz WVCYQAFLQLEVQO-CYBMUJFWSA-N 2 0 309.841 2.709 20 0 DFADRP CC[C@H](C[NH2+][C@H](C)[C@@H]1CCC[NH2+]C1)N1CCc2ccccc2C1 ZINC000577739728 318213959 /nfs/dbraw/zinc/21/39/59/318213959.db2.gz DJKWDVMFEDIZBK-YVWKXTFCSA-N 2 0 315.505 2.801 20 0 DFADRP CCOC(=O)C1([C@@H](C)[NH2+]CCCc2cccs2)CC[NH2+]CC1 ZINC000577946936 318227500 /nfs/dbraw/zinc/22/75/00/318227500.db2.gz KMRUXXJAWCPUTG-CQSZACIVSA-N 2 0 324.490 2.592 20 0 DFADRP COc1cncc(/C=C/CC[N@@H+]2CCC[C@@H]([NH+](C)C)CC2)c1 ZINC000577949961 318228149 /nfs/dbraw/zinc/22/81/49/318228149.db2.gz MMDLQOAOYOFDSY-BBOMDTFKSA-N 2 0 303.450 2.910 20 0 DFADRP Cn1cc([C@@H]2C[N@H+](CC[C@@H]3CCCC[NH+]3C)CC2(C)C)cn1 ZINC000578079728 318236434 /nfs/dbraw/zinc/23/64/34/318236434.db2.gz BKJIHPKPSAVMDF-IRXDYDNUSA-N 2 0 304.482 2.720 20 0 DFADRP COC(=O)c1oc(C[NH+]2CCC(C[N@H+](C)C(C)C)CC2)cc1C ZINC000578149833 318241667 /nfs/dbraw/zinc/24/16/67/318241667.db2.gz WYTHCAVQAFETDE-UHFFFAOYSA-N 2 0 322.449 2.927 20 0 DFADRP c1csc(C[NH+]2CCC(C[NH2+]Cc3cnccn3)CC2)c1 ZINC000578161921 318242423 /nfs/dbraw/zinc/24/24/23/318242423.db2.gz UCLWQZSLFYHELY-UHFFFAOYSA-N 2 0 302.447 2.540 20 0 DFADRP CC(C)OC(=O)C[C@H]([NH2+][C@H]1CCC[C@@H]([NH3+])C1)c1ccccc1 ZINC000578206478 318245004 /nfs/dbraw/zinc/24/50/04/318245004.db2.gz UEJRCUGAGCGNNL-IKGGRYGDSA-N 2 0 304.434 2.929 20 0 DFADRP CC(C)C[N@@H+]1CCC[C@@H](C[NH2+]C[C@H](O)Cc2ccc(F)cc2)C1 ZINC000578232251 318247018 /nfs/dbraw/zinc/24/70/18/318247018.db2.gz MVSHZASUQCKIRB-PKOBYXMFSA-N 2 0 322.468 2.687 20 0 DFADRP CCc1ccc(C[N@@H+]2CC3(CC[NH2+]CC3)[C@@H]3COC[C@@H]32)s1 ZINC000578304004 318251558 /nfs/dbraw/zinc/25/15/58/318251558.db2.gz JKQCHBNFXGLVHV-CVEARBPZSA-N 2 0 306.475 2.511 20 0 DFADRP C[C@@H](C[C@@H]1CCCCC[NH2+]1)[NH2+][C@H]1CCCO[C@@H]1c1cnn(C)c1 ZINC000578422954 318259381 /nfs/dbraw/zinc/25/93/81/318259381.db2.gz PZVUXDGWUSVRSW-LEUOFYLZSA-N 2 0 320.481 2.541 20 0 DFADRP FC(F)(F)COCCC[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1 ZINC000578637778 318274715 /nfs/dbraw/zinc/27/47/15/318274715.db2.gz FUFSPNLRHCXKSJ-MGPQQGTHSA-N 2 0 308.388 2.856 20 0 DFADRP CC(C)C[C@H](CNC(=O)CC[C@@H](C)[NH3+])[NH2+][C@H](C)c1ccccc1 ZINC000578745189 318282494 /nfs/dbraw/zinc/28/24/94/318282494.db2.gz JPLONJOWJNEDBL-JFIYKMOQSA-N 2 0 319.493 2.996 20 0 DFADRP COc1ccc(OC2CC[NH+](CC[C@@H]3CC[NH2+]C3)CC2)cc1 ZINC000578851846 318289946 /nfs/dbraw/zinc/28/99/46/318289946.db2.gz WNHVXZHWZMUUOT-HNNXBMFYSA-N 2 0 304.434 2.538 20 0 DFADRP CCc1noc(C)c1C[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000579083488 318305528 /nfs/dbraw/zinc/30/55/28/318305528.db2.gz QAMUTJIUYKZMJH-UHFFFAOYSA-N 2 0 300.406 2.699 20 0 DFADRP COc1ccc(Cl)cc1N1CC[C@H]([NH2+][C@H]2CCC[C@@H]([NH3+])C2)C1 ZINC000579258651 318319203 /nfs/dbraw/zinc/31/92/03/318319203.db2.gz VFVGKIRFKWFAGQ-ILXRZTDVSA-N 2 0 323.868 2.787 20 0 DFADRP C[C@@H]([NH2+]Cc1nnc(C2CC[NH2+]CC2)[nH]1)C1CCCCCC1 ZINC000579343153 318323613 /nfs/dbraw/zinc/32/36/13/318323613.db2.gz JEXBKPRUQMTOGY-CYBMUJFWSA-N 2 0 305.470 2.720 20 0 DFADRP CCCC[N@H+](C)C[C@@H](C)NC(=O)[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC000579900452 318360492 /nfs/dbraw/zinc/36/04/92/318360492.db2.gz GATMECMJCAYWAW-IAGOWNOFSA-N 2 0 323.525 2.878 20 0 DFADRP C[C@@H]1CC[C@@H]([NH2+]CC2([NH3+])CCCCCC2)[C@@H](n2cncn2)C1 ZINC000579944618 318364778 /nfs/dbraw/zinc/36/47/78/318364778.db2.gz HXWPKXFEYQQXTQ-OAGGEKHMSA-N 2 0 305.470 2.649 20 0 DFADRP COc1cc2c(cc1C[NH2+]Cc1ccc(C[NH3+])cc1)O[C@@H](C)C2 ZINC000580074221 318373625 /nfs/dbraw/zinc/37/36/25/318373625.db2.gz JPPZOLZJUOMPTJ-ZDUSSCGKSA-N 2 0 312.413 2.767 20 0 DFADRP c1ccc(CN2CCCC[C@H]2C[NH2+][C@H]2CCC[NH2+]CC2)cc1 ZINC000379630362 323289521 /nfs/dbraw/zinc/28/95/21/323289521.db2.gz PTRXMHGKVGAWRJ-OALUTQOASA-N 2 0 301.478 2.773 20 0 DFADRP C[C@@H]1C[C@H](NC[C@@H]2CCC[NH2+]C2)CC[N@@H+]1Cc1ccccc1 ZINC000379654578 323290182 /nfs/dbraw/zinc/29/01/82/323290182.db2.gz JAXWBAPARBHONV-BHIYHBOVSA-N 2 0 301.478 2.629 20 0 DFADRP C[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)[NH2+][C@H]1C[C@@H](C)[N@H+](C)C[C@H]1C ZINC000381524086 323294749 /nfs/dbraw/zinc/29/47/49/323294749.db2.gz YJABHOOPXKAIBL-RYPNDVFKSA-N 2 0 313.486 2.606 20 0 DFADRP Cc1cc([C@@H](C)[NH2+]C[C@@H](C(C)C)N2CC[NH+](C)CC2)cs1 ZINC000381619464 323295085 /nfs/dbraw/zinc/29/50/85/323295085.db2.gz RFKJSTFGHLZZRU-WBVHZDCISA-N 2 0 309.523 2.979 20 0 DFADRP C[C@H]1CC[N@H+](CC[C@H]2CCC[NH2+]C2)CCN1Cc1ccccc1 ZINC000382709412 323301053 /nfs/dbraw/zinc/30/10/53/323301053.db2.gz SMGPKNBUMHIMIJ-RBUKOAKNSA-N 2 0 315.505 2.973 20 0 DFADRP C[C@@H]1C[C@@H](C[N@H+](C)C[C@@H]2CC[NH+](Cc3ccccc3)C2)CC[NH2+]1 ZINC000382758238 323302171 /nfs/dbraw/zinc/30/21/71/323302171.db2.gz STAYUUDQHRPBJC-HOJAQTOUSA-N 3 0 315.505 2.828 20 0 DFADRP C[C@@H]1C[C@@H](C[N@H+](C)C[C@H]2CC[NH+](Cc3ccccc3)C2)CC[NH2+]1 ZINC000382758241 323302648 /nfs/dbraw/zinc/30/26/48/323302648.db2.gz STAYUUDQHRPBJC-YZGWKJHDSA-N 3 0 315.505 2.828 20 0 DFADRP c1ccc(COC[C@@H]2CC[N@@H+](CC[C@H]3CCC[NH2+]C3)C2)cc1 ZINC000384051498 323305407 /nfs/dbraw/zinc/30/54/07/323305407.db2.gz UDQLTAACVRAHAO-IEBWSBKVSA-N 2 0 302.462 2.915 20 0 DFADRP C[N@H+](Cc1ccccc1)C1(CN[C@@H]2CCC[C@H]([NH3+])C2)CCC1 ZINC000386854939 323320835 /nfs/dbraw/zinc/32/08/35/323320835.db2.gz IPOHAMXOZJTQAU-ZWKOTPCHSA-N 2 0 301.478 2.901 20 0 DFADRP C[NH2+][C@@H](CC(C)(C)C)C(=O)N(CC[NH+](C)C)Cc1ccccc1 ZINC000387585915 323326163 /nfs/dbraw/zinc/32/61/63/323326163.db2.gz RCNXBVIFPCGAGB-KRWDZBQOSA-N 2 0 319.493 2.601 20 0 DFADRP COc1ccc2c(c1)C[C@@H]([NH2+]C[C@@H]1CC[N@@H+](C(C)C)C1)CC2 ZINC000387574361 323326578 /nfs/dbraw/zinc/32/65/78/323326578.db2.gz OMBWQSTXVNXCNS-YJBOKZPZSA-N 2 0 302.462 2.872 20 0 DFADRP C[N@H+](CC[C@H]1CCC[NH2+]C1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000388742194 323332628 /nfs/dbraw/zinc/33/26/28/323332628.db2.gz CKIFIDSUGZSTKR-QUCCMNQESA-N 2 0 315.505 2.973 20 0 DFADRP CC(C)[C@@H](C[NH2+]Cc1ccc2[nH]ccc2c1)N1CC[NH+](C)CC1 ZINC000391009094 323344726 /nfs/dbraw/zinc/34/47/26/323344726.db2.gz YEYJQGCDRCRBFE-LJQANCHMSA-N 2 0 314.477 2.530 20 0 DFADRP Cc1ccnc(C)c1NC(=O)NC[C@H]1[NH2+]CCc2ccccc21 ZINC000580410380 323380859 /nfs/dbraw/zinc/38/08/59/323380859.db2.gz FKZKLLIJXHAKQV-MRXNPFEDSA-N 2 0 310.401 2.707 20 0 DFADRP [NH3+][C@@H]1CCCCCC[C@@H]1C(=O)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000580442513 323385957 /nfs/dbraw/zinc/38/59/57/323385957.db2.gz DHPDZAABGHEMIC-FGTMMUONSA-N 2 0 321.509 2.761 20 0 DFADRP C[C@@H]([NH2+][C@H]1CCC[NH2+]CC1)c1ccc(NC(=O)C2CC2)cc1 ZINC000580550467 323401661 /nfs/dbraw/zinc/40/16/61/323401661.db2.gz HJRFMHLGUZQMIP-CJNGLKHVSA-N 2 0 301.434 2.828 20 0 DFADRP C[NH+](C)CCCOc1cnccc1C[NH2+][C@@H]1CCC[C@H]2C[C@H]21 ZINC000580885765 323447488 /nfs/dbraw/zinc/44/74/88/323447488.db2.gz OUXPLUZQSIUWTP-USXIJHARSA-N 2 0 303.450 2.690 20 0 DFADRP [NH3+][C@H]1CCCO[C@@H]1C1CC[NH+](Cc2cnc(C3CC3)s2)CC1 ZINC000583552830 323876795 /nfs/dbraw/zinc/87/67/95/323876795.db2.gz WQRZEBUQIQBZIC-JKSUJKDBSA-N 2 0 321.490 2.739 20 0 DFADRP CC(C)CCN(CCC(C)C)C(=O)CN1CC[C@@H]([NH3+])C[C@H]1C ZINC000584358688 337102234 /nfs/dbraw/zinc/10/22/34/337102234.db2.gz FEOQPKZBDDNSOO-IAGOWNOFSA-N 2 0 311.514 2.719 20 0 DFADRP Cc1cccc(C(C)C)c1NC(=O)CN1CC[C@@H]([NH3+])C[C@H]1C ZINC000584358665 337102352 /nfs/dbraw/zinc/10/23/52/337102352.db2.gz DOJHRSFTJDYLRF-HUUCEWRRSA-N 2 0 303.450 2.869 20 0 DFADRP CCC[NH+]1CCC(C[NH2+]C[C@H](O)CCc2ccccc2)CC1 ZINC000584405607 337320143 /nfs/dbraw/zinc/32/01/43/337320143.db2.gz QRZNFHNVUZKRJB-LJQANCHMSA-N 2 0 304.478 2.692 20 0 DFADRP C[C@](O)(C[NH2+]Cc1ccccc1C[NH+]1CCCC1)C(F)(F)F ZINC000584464595 337346571 /nfs/dbraw/zinc/34/65/71/337346571.db2.gz ATZKATNMYIXZMC-HNNXBMFYSA-N 2 0 316.367 2.685 20 0 DFADRP COc1cc(C[NH2+]CCCCC[NH+]2CCCC2)cc2c1OCO2 ZINC000293028362 533873210 /nfs/dbraw/zinc/87/32/10/533873210.db2.gz PPOGAYZGWOTYQQ-UHFFFAOYSA-N 2 0 320.433 2.780 20 0 DFADRP C[C@H]([NH2+]C[C@@]1(C)CC[N@H+](Cc2ccccc2)C1)[C@H]1CCOC1 ZINC000309697579 533891622 /nfs/dbraw/zinc/89/16/22/533891622.db2.gz FLABFVJRIGUMIV-YTQUADARSA-N 2 0 302.462 2.913 20 0 DFADRP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CC[N@H+](CCc3ccccc3)C2)[C@H](C)O1 ZINC000294722141 533951250 /nfs/dbraw/zinc/95/12/50/533951250.db2.gz BXYOFMOFIUMYTQ-NEPXVJNWSA-N 2 0 302.462 2.707 20 0 DFADRP Cc1cc(C[NH3+])cc(NC(=O)N2C[C@@H]([NH+]3CCCC3)C[C@H]2C)c1 ZINC000331932411 534175998 /nfs/dbraw/zinc/17/59/98/534175998.db2.gz LFQDOUYKBGKCMK-PBHICJAKSA-N 2 0 316.449 2.544 20 0 DFADRP c1ccc([C@H]2C[C@@H](NCCC[NH2+]Cc3cccnc3)CC[NH2+]2)cc1 ZINC000414857575 518203916 /nfs/dbraw/zinc/20/39/16/518203916.db2.gz FBARIDWTJXCFDX-VQTJNVASSA-N 2 0 324.472 2.644 20 0 DFADRP CC(C)[N@H+](C)Cc1ccccc1C[NH2+][C@H]1CC[NH+](C)C[C@@H]1C ZINC000154860354 519631063 /nfs/dbraw/zinc/63/10/63/519631063.db2.gz GDIWWINELGFRIG-LPHOPBHVSA-N 3 0 303.494 2.957 20 0 DFADRP c1cc(N2CCC([NH2+][C@H]3CCO[C@H](C4CC4)C3)CC2)cc[nH+]1 ZINC000297611502 534473115 /nfs/dbraw/zinc/47/31/15/534473115.db2.gz KPGRIRWHBFIWGH-WMZOPIPTSA-N 2 0 301.434 2.598 20 0 DFADRP c1cc(N2CCC([NH2+][C@@H]3CCO[C@@H](C4CC4)C3)CC2)cc[nH+]1 ZINC000297611498 534470476 /nfs/dbraw/zinc/47/04/76/534470476.db2.gz KPGRIRWHBFIWGH-SJLPKXTDSA-N 2 0 301.434 2.598 20 0 DFADRP CCC[NH+](CCC)CCCC(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000154523203 521643989 /nfs/dbraw/zinc/64/39/89/521643989.db2.gz DXIQMVGUBCOIRZ-QZTJIDSGSA-N 2 0 323.525 2.831 20 0 DFADRP CCN1CC[NH+](CCCC[NH2+][C@@H](C)c2cccc(F)c2)CC1 ZINC000154527688 521680071 /nfs/dbraw/zinc/68/00/71/521680071.db2.gz JEXXGUZJXOSTIJ-INIZCTEOSA-N 2 0 307.457 2.894 20 0 DFADRP [NH3+]CCCOC1CC[NH+](Cc2cc(F)cc3cccnc32)CC1 ZINC000321577628 534618013 /nfs/dbraw/zinc/61/80/13/534618013.db2.gz SBCRPAUQLAKUMT-UHFFFAOYSA-N 2 0 317.408 2.704 20 0 DFADRP Cc1[nH+]c2ccccc2c(NCC2CC[NH+](CCO)CC2)c1C ZINC000302094482 534670704 /nfs/dbraw/zinc/67/07/04/534670704.db2.gz RDNWRUVHHPBPJR-UHFFFAOYSA-N 2 0 313.445 2.968 20 0 DFADRP C[N@@H+]1CCC[C@@H](CNC(=O)C(C)(C)[NH3+])[C@H]1c1cccc(Cl)c1 ZINC000364848534 523811960 /nfs/dbraw/zinc/81/19/60/523811960.db2.gz ALWZTTYUDIOLHL-DZGCQCFKSA-N 2 0 323.868 2.576 20 0 DFADRP Cc1cnn(CC[N@@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@@H]3C2)c1 ZINC000310219074 534741094 /nfs/dbraw/zinc/74/10/94/534741094.db2.gz FSPIDZROIXGFFX-VQTJNVASSA-N 2 0 324.472 2.645 20 0 DFADRP CN1CC[NH+](CC2(C)CC[NH+](Cc3ccsc3)CC2)CC1 ZINC000363870030 523895166 /nfs/dbraw/zinc/89/51/66/523895166.db2.gz SQFHRAMXUBBUKU-UHFFFAOYSA-N 2 0 307.507 2.598 20 0 DFADRP C[N@@H+]1CC[C@H]([NH2+]Cc2ccc(N3CCCC3)nc2)[C@@H]2CCC[C@@H]21 ZINC000367614686 523989658 /nfs/dbraw/zinc/98/96/58/523989658.db2.gz IUQWOHRZBXVVSU-BZSNNMDCSA-N 2 0 314.477 2.644 20 0 DFADRP C[C@@H]1CCC[N@H+](CC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)CC1 ZINC000157877455 524217909 /nfs/dbraw/zinc/21/79/09/524217909.db2.gz HCCWLAYELHOBGS-AEFFLSMTSA-N 2 0 317.477 2.528 20 0 DFADRP C[C@@H](CN1CC[NH+](C)CC1)[NH2+][C@@H]1CC[C@H](c2ccccc2)C1 ZINC000131316363 524620228 /nfs/dbraw/zinc/62/02/28/524620228.db2.gz IILIHDBVYOFJGK-YTQUADARSA-N 2 0 301.478 2.548 20 0 DFADRP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC1(CO)CCC1 ZINC000363821959 524632341 /nfs/dbraw/zinc/63/23/41/524632341.db2.gz MMMHNEVPRCPDSI-FUHWJXTLSA-N 2 0 302.462 2.649 20 0 DFADRP C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@@H]1[NH2+]CCc1ccccc1F ZINC000363834624 524970412 /nfs/dbraw/zinc/97/04/12/524970412.db2.gz RXDRASJDEXNUNV-AYBZRNKSSA-N 2 0 320.452 2.847 20 0 DFADRP CC(C)[C@H](C(=O)Nc1cc(C[NH3+])cc(C(F)(F)F)c1)[NH+](C)C ZINC000362573953 534910228 /nfs/dbraw/zinc/91/02/28/534910228.db2.gz YXLNAWALPMFYGB-CYBMUJFWSA-N 2 0 317.355 2.689 20 0 DFADRP O=C(NC[C@@H]1CCC[N@H+](CCCC2CCCC2)C1)[C@@H]1CCC[NH2+]1 ZINC000338149476 526513462 /nfs/dbraw/zinc/51/34/62/526513462.db2.gz FVNNIWMGOIDHHS-ROUUACIJSA-N 2 0 321.509 2.537 20 0 DFADRP CC[N@@H+]1CC[C@H]([NH+](C)C[C@H](Cc2ccccc2)OC)[C@@H](C)C1 ZINC000294841142 527830512 /nfs/dbraw/zinc/83/05/12/527830512.db2.gz BDQZWWKPNUEVSB-WDSOQIARSA-N 2 0 304.478 2.906 20 0 DFADRP CCN(CCC[NH+](CC)CC)C(=O)C[C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000318471392 528101339 /nfs/dbraw/zinc/10/13/39/528101339.db2.gz FKKBIEAYZZMKSO-SJORKVTESA-N 2 0 311.514 2.593 20 0 DFADRP CCN(CCC[NH+](CC)CC)C(=O)C[C@H](C)[C@H]1CCC[NH2+]C1 ZINC000318471391 528102711 /nfs/dbraw/zinc/10/27/11/528102711.db2.gz FKKBIEAYZZMKSO-IRXDYDNUSA-N 2 0 311.514 2.593 20 0 DFADRP CC[NH2+]CC1CC[NH+](CC(=O)N[C@@H](C)CCCC(C)C)CC1 ZINC000316626807 528290779 /nfs/dbraw/zinc/29/07/79/528290779.db2.gz YNRUEVQWXDCRDS-INIZCTEOSA-N 2 0 311.514 2.639 20 0 DFADRP CCC[NH2+][C@H](C)C(=O)Nc1cccc(CC[NH+]2CCCC2)c1 ZINC000294930365 528559799 /nfs/dbraw/zinc/55/97/99/528559799.db2.gz BDRDDKHJUJLMOT-OAHLLOKOSA-N 2 0 303.450 2.652 20 0 DFADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2ccncc2C)[C@H](C)C1 ZINC000294710750 528663895 /nfs/dbraw/zinc/66/38/95/528663895.db2.gz BIXPYHRZFMACEI-SJLPKXTDSA-N 2 0 305.466 2.617 20 0 DFADRP CC(C)N(C)c1ccc(C[NH+]2CCC(C[NH+](C)C)CC2)cn1 ZINC000361509759 535026668 /nfs/dbraw/zinc/02/66/68/535026668.db2.gz WSANGYBNACDLID-UHFFFAOYSA-N 2 0 304.482 2.700 20 0 DFADRP CCCC[C@H]([NH3+])C(=O)NCc1ccccc1C[NH+](CC)CC ZINC000236818693 535047140 /nfs/dbraw/zinc/04/71/40/535047140.db2.gz RAPVNJDYMDGRHP-KRWDZBQOSA-N 2 0 305.466 2.662 20 0 DFADRP CC(C)[NH+](CCN(C)C(=O)CC[C@H]1CCCC[N@@H+]1C)C(C)C ZINC000355940660 535058039 /nfs/dbraw/zinc/05/80/39/535058039.db2.gz YUZPAFZOFYLJQZ-QGZVFWFLSA-N 2 0 311.514 2.828 20 0 DFADRP CC(C)C[N@@H+]1Cc2cccc(NC(=O)[C@H]3C[NH+](C)C[C@@H]3C)c2C1 ZINC000362905888 535145767 /nfs/dbraw/zinc/14/57/67/535145767.db2.gz UJZBBCKRPRSHMZ-HOCLYGCPSA-N 2 0 315.461 2.794 20 0 DFADRP CC(C)[NH+]1CCC(C(=O)N[C@H](C)C[NH+]2C[C@@H](C)C[C@H](C)C2)CC1 ZINC000174753755 535150044 /nfs/dbraw/zinc/15/00/44/535150044.db2.gz DCEYZRXCPIUUSW-YESZJQIVSA-N 2 0 323.525 2.589 20 0 DFADRP CC1CC[NH+](Cc2ccccc2CNC(=O)C(C)(C)C[NH3+])CC1 ZINC000236714047 535281435 /nfs/dbraw/zinc/28/14/35/535281435.db2.gz CUYSXGGFOSBWBV-UHFFFAOYSA-N 2 0 317.477 2.520 20 0 DFADRP CC[NH2+]CC1CC[NH+](CCOc2ccc(OCC)cc2)CC1 ZINC000262314383 535457595 /nfs/dbraw/zinc/45/75/95/535457595.db2.gz QDVFYUTWTHGSCR-UHFFFAOYSA-N 2 0 306.450 2.786 20 0 DFADRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H]2CCOC3(CCC3)C2)[C@H](C)C1 ZINC000358301921 535525643 /nfs/dbraw/zinc/52/56/43/535525643.db2.gz PRHGAQNSFBGQRA-SQNIBIBYSA-N 2 0 324.509 2.815 20 0 DFADRP CC[NH+](CC)Cc1ccc(CNC(=O)C2(C[NH3+])CCCC2)cc1 ZINC000163856630 535603517 /nfs/dbraw/zinc/60/35/17/535603517.db2.gz TWYALPPBEDWDQO-UHFFFAOYSA-N 2 0 317.477 2.664 20 0 DFADRP CC[NH+](CC)[C@H](CNC(=O)[C@@H]1CCCC[N@@H+]1CC)c1ccco1 ZINC000245908885 535675105 /nfs/dbraw/zinc/67/51/05/535675105.db2.gz OFRUUQQGPUFCAG-JKSUJKDBSA-N 2 0 321.465 2.653 20 0 DFADRP CCN(CC)c1ncc(C[NH2+]CC2(C)CC[NH+](C)CC2)s1 ZINC000227330358 535691763 /nfs/dbraw/zinc/69/17/63/535691763.db2.gz WUJSJQHJXPKLQK-UHFFFAOYSA-N 2 0 310.511 2.811 20 0 DFADRP CCc1cccc(F)c1C[NH2+]CCN1CCC([NH+](C)C)CC1 ZINC000354547095 535891013 /nfs/dbraw/zinc/89/10/13/535891013.db2.gz KJLCULCZEVRLPF-UHFFFAOYSA-N 2 0 307.457 2.504 20 0 DFADRP C[NH+](C)CCOC1CC[NH+](CCCCOc2ccccc2)CC1 ZINC000357555238 535892814 /nfs/dbraw/zinc/89/28/14/535892814.db2.gz DFJBWLINQMNQEN-UHFFFAOYSA-N 2 0 320.477 2.888 20 0 DFADRP C[N@H+](CCC(=O)Nc1ccccc1Cl)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000262018035 536307915 /nfs/dbraw/zinc/30/79/15/536307915.db2.gz XHKSOCOHWHLGQC-PBWFPOADSA-N 2 0 321.852 2.883 20 0 DFADRP COc1ccc(C[C@H](C)C[NH2+][C@@H]2CC[N@H+](C)C[C@H]2C)cc1OC ZINC000358238055 536521387 /nfs/dbraw/zinc/52/13/87/536521387.db2.gz CXCGYLUWINUHOG-ZMSDIMECSA-N 2 0 320.477 2.812 20 0 DFADRP COc1cc(C)nc(C[N@@H+]2C[C@@H](C[NH3+])[C@H](c3ccccc3)C2)c1 ZINC000261765459 536692070 /nfs/dbraw/zinc/69/20/70/536692070.db2.gz RQCQRAKNCFVLMC-APWZRJJASA-N 2 0 311.429 2.573 20 0 DFADRP COc1ccc(CC[NH2+][C@H]2C[C@H]([NH3+])c3ccccc32)cc1OC ZINC000261959519 536842683 /nfs/dbraw/zinc/84/26/83/536842683.db2.gz XKRDLBKRHSHSIS-IRXDYDNUSA-N 2 0 312.413 2.981 20 0 DFADRP COC1CC[NH+](CCNc2c(C)c[nH+]c3c(C)cccc23)CC1 ZINC000680895148 545558563 /nfs/dbraw/zinc/55/85/63/545558563.db2.gz FTFYXHLJZVDZOQ-UHFFFAOYSA-N 2 0 313.445 2.796 20 0 DFADRP CC[C@@H]1CN(C(=O)C(C)C)CC[C@@H]1[NH2+]CC[C@@H]1CCCC[N@@H+]1C ZINC000681451760 545642343 /nfs/dbraw/zinc/64/23/43/545642343.db2.gz ZXDZJOHAGMYCEX-SQNIBIBYSA-N 2 0 323.525 2.734 20 0 DFADRP C[NH+](C)CCOc1ccc(C[NH2+]C[C@H]2CC23CCOCC3)cc1 ZINC000681824093 545732766 /nfs/dbraw/zinc/73/27/66/545732766.db2.gz KTECJBDTZUVLRE-QGZVFWFLSA-N 2 0 318.461 2.533 20 0 DFADRP CCC[NH+]1CCC([NH2+][C@H]2CCCO[C@@H]2c2ccncc2)CC1 ZINC000681916605 545752151 /nfs/dbraw/zinc/75/21/51/545752151.db2.gz XEICWPPMXVDHCE-ZWKOTPCHSA-N 2 0 303.450 2.766 20 0 DFADRP CC[C@H]1CN(C(=O)C(C)C)CC[C@@H]1[NH2+]CCC[NH+]1CCCCC1 ZINC000682029911 545778495 /nfs/dbraw/zinc/77/84/95/545778495.db2.gz HWPWNOUVHIUVOH-ROUUACIJSA-N 2 0 323.525 2.735 20 0 DFADRP CC(C)[C@H](C)[NH+]1CCN(CC[N@H+](C)Cc2ccccc2)CC1 ZINC000682075140 545790341 /nfs/dbraw/zinc/79/03/41/545790341.db2.gz RJJYTDBOAHIWNB-SFHVURJKSA-N 2 0 303.494 2.781 20 0 DFADRP C[N@@H+]1CCCC[C@H]1CN1CC[NH+]([C@H]2CCc3ccccc32)CC1 ZINC000682076607 545791390 /nfs/dbraw/zinc/79/13/90/545791390.db2.gz XPDFFBOGTLNUTK-ICSRJNTNSA-N 2 0 313.489 2.776 20 0 DFADRP C[C@H](C[NH+]1CCN([C@@H]2CCC[N@H+](C)C2)CC1)c1ccc(F)cc1 ZINC000682154446 545805276 /nfs/dbraw/zinc/80/52/76/545805276.db2.gz CNAWWQXJFZNMSC-VQIMIIECSA-N 2 0 319.468 2.641 20 0 DFADRP C[C@H]([NH2+]CC(C)(C)N1CC[NH+](C)CC1)C1CCC(F)(F)CC1 ZINC000682732638 545907360 /nfs/dbraw/zinc/90/73/60/545907360.db2.gz JENWNQFMRYPLTG-AWEZNQCLSA-N 2 0 317.468 2.816 20 0 DFADRP CC(C)n1ncc2c1C[C@@H]([NH2+][C@H](C)C1CC[NH+](C)CC1)CC2 ZINC000682912696 545940192 /nfs/dbraw/zinc/94/01/92/545940192.db2.gz UJNDFDFHUIIKDY-PBHICJAKSA-N 2 0 304.482 2.641 20 0 DFADRP CC(C)[C@H]([NH2+]Cc1ccc(OCC[NH+](C)C)cc1)C(C)(C)O ZINC000682950581 545947390 /nfs/dbraw/zinc/94/73/90/545947390.db2.gz ADEOQMSRFVOJQP-KRWDZBQOSA-N 2 0 308.466 2.512 20 0 DFADRP CC[C@H]1CN(C(=O)C(C)C)CC[C@H]1[NH2+]CCC[NH+](CC)CC ZINC000683142342 545979202 /nfs/dbraw/zinc/97/92/02/545979202.db2.gz PJTGWZDBWXCMGA-DLBZAZTESA-N 2 0 311.514 2.591 20 0 DFADRP OC[C@H](CC1CC1)[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000683691432 546076483 /nfs/dbraw/zinc/07/64/83/546076483.db2.gz GSPIFWKKACJGMV-LWYYNNOASA-N 2 0 314.473 2.933 20 0 DFADRP OC[C@@H](CC1CC1)[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000683691434 546076575 /nfs/dbraw/zinc/07/65/75/546076575.db2.gz GSPIFWKKACJGMV-YSTOQKLRSA-N 2 0 314.473 2.933 20 0 DFADRP C([NH2+]CC1CC[NH+](C2CC2)CC1)c1nc2c(s1)CCCC2 ZINC000683706210 546078983 /nfs/dbraw/zinc/07/89/83/546078983.db2.gz DSCXBHQSZROFLB-UHFFFAOYSA-N 2 0 305.491 2.986 20 0 DFADRP CO[C@H](c1ccccc1)[C@H](C)[NH2+]CC1(O)CC[NH+](C(C)C)CC1 ZINC000683817913 546101336 /nfs/dbraw/zinc/10/13/36/546101336.db2.gz KCUNYQYUTPIXDB-WMZOPIPTSA-N 2 0 320.477 2.588 20 0 DFADRP O[C@H]1CCC[C@H]1[NH+]1CCC([NH2+]Cc2cc3ccccc3[nH]2)CC1 ZINC000683929642 546121548 /nfs/dbraw/zinc/12/15/48/546121548.db2.gz URTDPBGDNJPNIW-MOPGFXCFSA-N 2 0 313.445 2.635 20 0 DFADRP CO[C@@H]1CCC[C@H]([NH2+]CC2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000684389892 546207161 /nfs/dbraw/zinc/20/71/61/546207161.db2.gz YEVVJHDQEDRZLG-FUHWJXTLSA-N 2 0 303.450 2.845 20 0 DFADRP C[C@@H]1C[N@H+](Cc2ccc(OCC[NH+](C)C)cc2)C[C@H](C2CC2)O1 ZINC000684411138 546212304 /nfs/dbraw/zinc/21/23/04/546212304.db2.gz AQEBCJPTIABBDS-DNVCBOLYSA-N 2 0 318.461 2.626 20 0 DFADRP CN(CCC[NH+]1CCCC1)C(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000684987551 546313887 /nfs/dbraw/zinc/31/38/87/546313887.db2.gz YAVRDJDSIDINDW-KRWDZBQOSA-N 2 0 321.509 2.585 20 0 DFADRP CO[C@H]1C[C@@H]([N@H+](C)Cc2ccc(OCC[NH+]3CCCC3)cc2)C1 ZINC000685438436 546349711 /nfs/dbraw/zinc/34/97/11/546349711.db2.gz DBCZKDRLONVBEX-IZAXUBKRSA-N 2 0 318.461 2.770 20 0 DFADRP CC(C)[C@@](C)(CO)[NH2+]Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000685629948 546378120 /nfs/dbraw/zinc/37/81/20/546378120.db2.gz XDWNVWGSOQJRLS-LJQANCHMSA-N 2 0 320.477 2.658 20 0 DFADRP c1cn(-c2ccc(C[NH2+]CC3CC[NH+](C4CC4)CC3)cc2)cn1 ZINC000278465787 214170425 /nfs/dbraw/zinc/17/04/25/214170425.db2.gz GHALCHWGPBRADA-UHFFFAOYSA-N 2 0 310.445 2.836 20 0 DFADRP COc1cc(OC)cc(OCCC[NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)c1 ZINC000181265064 199273280 /nfs/dbraw/zinc/27/32/80/199273280.db2.gz BHLZBYUXSIRBET-LSDHHAIUSA-N 2 0 322.449 2.545 20 0 DFADRP CC(=O)Nc1ccc(C[NH2+]CC2CC[NH+](C3CC3)CC2)cc1 ZINC000278508285 214200550 /nfs/dbraw/zinc/20/05/50/214200550.db2.gz PFENVGDDYNDGHA-UHFFFAOYSA-N 2 0 301.434 2.609 20 0 DFADRP COc1cccc2c1CC[C@@H]2[NH2+]CCC[N@@H+]1CCCO[C@H](C)C1 ZINC000278526632 214212964 /nfs/dbraw/zinc/21/29/64/214212964.db2.gz NEJSMZKBLKXMGE-QAPCUYQASA-N 2 0 318.461 2.773 20 0 DFADRP C[N@H+](CCN1CC[C@@H](C[NH+]2CCCC2)C1)Cc1ccccc1 ZINC000278514155 214204466 /nfs/dbraw/zinc/20/44/66/214204466.db2.gz BTCLZQPJOXZLJF-IBGZPJMESA-N 2 0 301.478 2.536 20 0 DFADRP c1nn(Cc2ccccc2)cc1C[NH2+]CC1CC[NH+](C2CC2)CC1 ZINC000278530461 214216367 /nfs/dbraw/zinc/21/63/67/214216367.db2.gz UYMNUDQFDPEADI-UHFFFAOYSA-N 2 0 324.472 2.895 20 0 DFADRP C[NH+](C)C[C@H]1CCCCN1C(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000365782535 282133161 /nfs/dbraw/zinc/13/31/61/282133161.db2.gz DJGCLECLOXWVNY-FUHWJXTLSA-N 2 0 321.509 2.584 20 0 DFADRP COC[C@@H](CCC[NH3+])[NH2+]CC1(N2CCCCC2)CCCCC1 ZINC000318416604 231168807 /nfs/dbraw/zinc/16/88/07/231168807.db2.gz YABXYKIGAXOQID-QGZVFWFLSA-N 2 0 311.514 2.519 20 0 DFADRP c1ccc2c(c1)C[C@H](C[NH2+]C1CCN(c3cc[nH+]cc3)CC1)O2 ZINC000322053708 231209205 /nfs/dbraw/zinc/20/92/05/231209205.db2.gz BFVKXHRDVFFARH-GOSISDBHSA-N 2 0 309.413 2.644 20 0 DFADRP C[NH+](C)[C@@H](CNC(=O)[C@H]([NH3+])CC1CCCCC1)c1ccccc1 ZINC000261617345 282178182 /nfs/dbraw/zinc/17/81/82/282178182.db2.gz BSROILBJZYLUCC-MSOLQXFVSA-N 2 0 317.477 2.703 20 0 DFADRP C[C@H]1C[C@H](C)C[NH+](Cc2ccc(CNC3=[NH+]CCCN3)cc2)C1 ZINC000066243400 398364032 /nfs/dbraw/zinc/36/40/32/398364032.db2.gz QGJGXTILUWLXBX-HOTGVXAUSA-N 2 0 314.477 2.603 20 0 DFADRP CCC[NH+]1CCC(CNC(=O)CC[C@H]([NH3+])c2ccccc2)CC1 ZINC000236770060 398364135 /nfs/dbraw/zinc/36/41/35/398364135.db2.gz AROHAOCFDKZWFL-SFHVURJKSA-N 2 0 317.477 2.705 20 0 DFADRP CCCC[NH+]1CCC(NC(=O)CC[C@@H]([NH3+])c2ccccc2)CC1 ZINC000236757559 398364495 /nfs/dbraw/zinc/36/44/95/398364495.db2.gz JHBOQVPRWLYHRC-GOSISDBHSA-N 2 0 317.477 2.847 20 0 DFADRP C[C@@H]1C[C@@H]([NH3+])CCN1C(=O)c1ccc(Nc2cc[nH+]cc2)cc1 ZINC000237493308 398370914 /nfs/dbraw/zinc/37/09/14/398370914.db2.gz MCZINYQZXDNYMU-HIFRSBDPSA-N 2 0 310.401 2.777 20 0 DFADRP CC[NH+]1CCN([C@@H]2CC[N@H+](Cc3ccc(C4CC4)cc3)C2)CC1 ZINC000459349361 299085337 /nfs/dbraw/zinc/08/53/37/299085337.db2.gz ZRDYEONVHXUSMA-HXUWFJFHSA-N 2 0 313.489 2.776 20 0 DFADRP CC[C@H](C)C[NH+]1CCC(C(=O)NCCC[NH+](CC)CC)CC1 ZINC000088578291 185258437 /nfs/dbraw/zinc/25/84/37/185258437.db2.gz PWZZPOHYFQMURP-INIZCTEOSA-N 2 0 311.514 2.593 20 0 DFADRP C[C@H]([NH2+]Cc1ccc(C(=O)NCC[NH+](C)C)cc1)C1CCCC1 ZINC000090038624 185279350 /nfs/dbraw/zinc/27/93/50/185279350.db2.gz PGUNONDVUGARDX-HNNXBMFYSA-N 2 0 317.477 2.646 20 0 DFADRP C[NH+](C)CCC1CC[NH+](Cc2ccc([S@@](C)=O)cc2)CC1 ZINC000092381326 185314637 /nfs/dbraw/zinc/31/46/37/185314637.db2.gz FCFGBNLHUUEFTH-NRFANRHFSA-N 2 0 308.491 2.588 20 0 DFADRP COc1ccc(C[NH+]2CCC(CC[NH+](C)C)CC2)cc1OC ZINC000092381226 185314916 /nfs/dbraw/zinc/31/49/16/185314916.db2.gz AJGRITKRXRTRGT-UHFFFAOYSA-N 2 0 306.450 2.868 20 0 DFADRP Cc1cc(C)n2c(C[NH+]3CCC(CC[NH+](C)C)CC3)cnc2n1 ZINC000092381129 185314966 /nfs/dbraw/zinc/31/49/66/185314966.db2.gz KEOMLDGFCMJZGT-UHFFFAOYSA-N 2 0 315.465 2.510 20 0 DFADRP CCC[NH+]1CCN(c2ccccc2C[N@H+](C)CCCOC)CC1 ZINC000092537163 185324459 /nfs/dbraw/zinc/32/44/59/185324459.db2.gz CMOHYQPLZPGSJZ-UHFFFAOYSA-N 2 0 319.493 2.687 20 0 DFADRP CCOCC[N@H+](CC)Cc1ccccc1N1CC[NH+](CC)CC1 ZINC000092537874 185324895 /nfs/dbraw/zinc/32/48/95/185324895.db2.gz KVVQOKDMYMLOPH-UHFFFAOYSA-N 2 0 319.493 2.687 20 0 DFADRP C[C@@H]([NH2+]CCc1nccs1)c1ccc(OCC[NH+](C)C)cc1 ZINC000127834796 282958856 /nfs/dbraw/zinc/95/88/56/282958856.db2.gz MXQMRVWGNIZYKY-CQSZACIVSA-N 2 0 319.474 2.977 20 0 DFADRP COc1ccc([C@H](C)[NH2+]CCCC[N@@H+]2CCC[C@H]2CO)cc1C ZINC000272820634 210221039 /nfs/dbraw/zinc/22/10/39/210221039.db2.gz CZLDEJAVCIUJTF-WMZOPIPTSA-N 2 0 320.477 2.891 20 0 DFADRP C[N@H+](CCC1CCN(c2cc[nH+]cc2)CC1)CCn1ccnc1 ZINC000092821062 185343778 /nfs/dbraw/zinc/34/37/78/185343778.db2.gz VPEHGZDRFXKWJK-UHFFFAOYSA-N 2 0 313.449 2.517 20 0 DFADRP C[C@@H]([NH2+]CCn1cc(Cl)cn1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000459405872 299098682 /nfs/dbraw/zinc/09/86/82/299098682.db2.gz OCPSZYVRVWPDMY-ZIAGYGMSSA-N 2 0 310.873 2.779 20 0 DFADRP Cc1cccc(NC(=O)[C@@H](C)[NH+]2CCC(CC[NH3+])CC2)c1C ZINC000584786000 398412880 /nfs/dbraw/zinc/41/28/80/398412880.db2.gz WXLISOFXXQRGAV-OAHLLOKOSA-N 2 0 303.450 2.691 20 0 DFADRP CC(C)CN(C(=O)[C@H](C)[NH+]1[C@H](C)CC[C@H]1C)C1CC[NH+](C)CC1 ZINC000413460367 295710552 /nfs/dbraw/zinc/71/05/52/295710552.db2.gz UBQBNQCEIQBTHK-ZACQAIPSSA-N 2 0 323.525 2.827 20 0 DFADRP CC[NH+]1CCN([C@H]2CC[N@H+](C/C(C)=C\c3ccccc3)C2)CC1 ZINC000255678832 398426006 /nfs/dbraw/zinc/42/60/06/398426006.db2.gz OLEZVVARVHRXPV-PUWPPSGDSA-N 2 0 313.489 2.802 20 0 DFADRP Cc1cccc(NC(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)c1 ZINC000027351914 190654323 /nfs/dbraw/zinc/65/43/23/190654323.db2.gz NOXMTBVBYHDTRD-UHFFFAOYSA-N 2 0 320.481 2.732 20 0 DFADRP C[C@@H]1CCC[N@H+](Cc2ccc(NC(=O)[C@H]3CC[C@@H]([NH3+])C3)cc2)C1 ZINC000262672998 398433704 /nfs/dbraw/zinc/43/37/04/398433704.db2.gz PUVAGCDAACFJNK-HYVNUMGLSA-N 2 0 315.461 2.984 20 0 DFADRP COC(=O)[C@H](C)[C@H]([NH2+]CCCC1CC[NH2+]CC1)c1ccccc1 ZINC000592495621 398433844 /nfs/dbraw/zinc/43/38/44/398433844.db2.gz NGGUNLZGWGSDSD-QAPCUYQASA-N 2 0 318.461 2.906 20 0 DFADRP CCOC(=O)CCCCC[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000592491667 398433914 /nfs/dbraw/zinc/43/39/14/398433914.db2.gz FWBTZAAVPAJDQA-IAGOWNOFSA-N 2 0 310.482 2.822 20 0 DFADRP C[C@@H](CC(=O)NCC(C)(C)[N@@H+]1CCC[C@H](C)C1)C1CC[NH2+]CC1 ZINC000263288367 398434693 /nfs/dbraw/zinc/43/46/93/398434693.db2.gz VMSIGJUOQSVPOC-HOTGVXAUSA-N 2 0 323.525 2.639 20 0 DFADRP C[NH2+]C[C@H]1CCC[N@H+](CCCc2nc(-c3cccs3)no2)C1 ZINC000316578095 530001756 /nfs/dbraw/zinc/00/17/56/530001756.db2.gz DVJBMYMWOMOLHM-CYBMUJFWSA-N 2 0 320.462 2.662 20 0 DFADRP C[N@@H+]1CCC[C@@]2(CC[NH+](CCc3ccc4c(c3)CCO4)C2)C1 ZINC000292907392 530059456 /nfs/dbraw/zinc/05/94/56/530059456.db2.gz HCGXKACNDSUDJD-LJQANCHMSA-N 2 0 300.446 2.582 20 0 DFADRP CCO[C@@H]1C[C@@H]([NH2+]CC2(C[NH+](C)C)CCCC2)[C@@H]1SC ZINC000459476264 299116002 /nfs/dbraw/zinc/11/60/02/299116002.db2.gz HKJYQMOWUPRFLG-KFWWJZLASA-N 2 0 300.512 2.607 20 0 DFADRP COC(=O)c1cc([C@@H](C)N2CC[C@@H](C[NH+]3CCCC3)C2)oc1C ZINC000292625994 398485674 /nfs/dbraw/zinc/48/56/74/398485674.db2.gz NFYKBHRHWHQDSD-HIFRSBDPSA-N 2 0 320.433 2.853 20 0 DFADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]CC1([C@H](O)c2ccccc2)CC1 ZINC000090771106 398492617 /nfs/dbraw/zinc/49/26/17/398492617.db2.gz IUXKNURTFXUUKC-JOCBIADPSA-N 2 0 302.462 2.819 20 0 DFADRP C[NH+](C)Cc1ccc(CN[C@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1F ZINC000090919626 398496932 /nfs/dbraw/zinc/49/69/32/398496932.db2.gz MFCQEIDEISMXCV-DLBZAZTESA-N 2 0 305.441 2.604 20 0 DFADRP CC[C@H](C)[C@H](O)C[NH2+][C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272704214 210108754 /nfs/dbraw/zinc/10/87/54/210108754.db2.gz ZSFIHSUQQRSDTA-RNIPGJKVSA-N 2 0 304.478 2.894 20 0 DFADRP CC[NH+](CC)Cc1ccc(C(=O)N2CCC[C@H]([NH+](C)C)C2)cc1 ZINC000068487035 398508260 /nfs/dbraw/zinc/50/82/60/398508260.db2.gz WBLRVZKNWCVLAR-SFHVURJKSA-N 2 0 317.477 2.695 20 0 DFADRP CCCN1CCC[C@H]1C[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000459542619 299129802 /nfs/dbraw/zinc/12/98/02/299129802.db2.gz ARSWAUJRIPBIBD-SFHVURJKSA-N 2 0 302.466 2.514 20 0 DFADRP c1cc2cccc(C[NH2+]C3CC[NH+](C[C@@H]4CCOC4)CC3)c2[nH]1 ZINC000236581777 201929104 /nfs/dbraw/zinc/92/91/04/201929104.db2.gz SHARZBFZCSHORY-HNNXBMFYSA-N 2 0 313.445 2.758 20 0 DFADRP CCOc1ccc(C(C)=O)cc1C[NH+]1CCC(CC[NH3+])CC1 ZINC000315963533 398528845 /nfs/dbraw/zinc/52/88/45/398528845.db2.gz LSOWZOFHWONPDI-UHFFFAOYSA-N 2 0 304.434 2.849 20 0 DFADRP CC[C@H]([NH2+]Cc1cccc(C(=O)NCC[NH+](C)C)c1)[C@@H]1C[C@@H]1C ZINC000414085401 295765691 /nfs/dbraw/zinc/76/56/91/295765691.db2.gz YLOKTYSHPNYGMS-QGTPRVQTSA-N 2 0 317.477 2.502 20 0 DFADRP CC[C@H]([NH2+]CC1CC[NH+](CC(=O)NC(C)(C)C)CC1)[C@@H]1C[C@@H]1C ZINC000414116174 295769102 /nfs/dbraw/zinc/76/91/02/295769102.db2.gz QHZSGTBZZZSKEV-UAGQMJEPSA-N 2 0 323.525 2.637 20 0 DFADRP C[C@@H]1OCC[C@@H]1[NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]12 ZINC000272620907 210021044 /nfs/dbraw/zinc/02/10/44/210021044.db2.gz YGCPONLMJIQDKU-SXXASDTRSA-N 2 0 300.446 2.664 20 0 DFADRP C[C@H](C(=O)N1CCC(C)CC1)[NH+]1CCC(CCC[NH+](C)C)CC1 ZINC000123610201 185825672 /nfs/dbraw/zinc/82/56/72/185825672.db2.gz JKXWTZYETBZXQT-QGZVFWFLSA-N 2 0 323.525 2.687 20 0 DFADRP Cn1nccc1[C@@H]1CCC[C@H]([NH2+]Cc2ccc3c[nH+]cn3c2)C1 ZINC000414186695 295775697 /nfs/dbraw/zinc/77/56/97/295775697.db2.gz PGPFUAYYCDTJQJ-CVEARBPZSA-N 2 0 309.417 2.884 20 0 DFADRP O=C(C[C@H]1CCC[NH2+]C1)NCC1([NH+]2CCCCC2)CCCCC1 ZINC000320216314 398546451 /nfs/dbraw/zinc/54/64/51/398546451.db2.gz YOSLNWJLAXPSAE-QGZVFWFLSA-N 2 0 321.509 2.681 20 0 DFADRP COc1cc(C)c(C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)cc1OC ZINC000092043448 398554930 /nfs/dbraw/zinc/55/49/30/398554930.db2.gz PBOWNSDKSYBVBV-WBVHZDCISA-N 2 0 318.461 2.928 20 0 DFADRP C[N@H+](C[C@H](O)Cc1cccc(Cl)c1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000286970336 219249794 /nfs/dbraw/zinc/24/97/94/219249794.db2.gz PIYBJCZWZZGSMM-UJJTZGENSA-N 2 0 322.880 2.800 20 0 DFADRP Cc1ccsc1[C@@H](C)[NH2+]C[C@H](C(C)C)N1CC[NH+](C)CC1 ZINC000070091921 190857729 /nfs/dbraw/zinc/85/77/29/190857729.db2.gz BJALEJIUYPHISI-HZPDHXFCSA-N 2 0 309.523 2.979 20 0 DFADRP C[C@@H](c1cccc2ccccc21)[N@@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000323835430 398561414 /nfs/dbraw/zinc/56/14/14/398561414.db2.gz ROCRYRSEYDXDMQ-FUHWJXTLSA-N 2 0 309.457 2.880 20 0 DFADRP C[NH+](C)CCOc1cccc(C[NH2+]Cc2[nH]nc3ccccc32)c1 ZINC000589641535 398567593 /nfs/dbraw/zinc/56/75/93/398567593.db2.gz NOYQGZWKRACMFS-UHFFFAOYSA-N 2 0 324.428 2.793 20 0 DFADRP C[NH+](C/C=C\C[N@@H+](C)C[C@H]1CCCCO1)C[C@@H]1CCCCO1 ZINC000340171850 398578817 /nfs/dbraw/zinc/57/88/17/398578817.db2.gz MUANJHOPPBUWCP-SPCWZHTESA-N 2 0 310.482 2.544 20 0 DFADRP CC[NH+](CC)Cc1ccc(C(=O)NCC[N@H+]2CC=CCC2)cc1 ZINC000279908330 215228221 /nfs/dbraw/zinc/22/82/21/215228221.db2.gz FGHDSOHYVNNEJR-UHFFFAOYSA-N 2 0 315.461 2.520 20 0 DFADRP C[C@@H](CC(=O)N(C)c1ccccc1)[NH2+]Cc1ccc2c[nH+]cn2c1 ZINC000459659141 299157857 /nfs/dbraw/zinc/15/78/57/299157857.db2.gz LVCLBVJKQYZVMW-HNNXBMFYSA-N 2 0 322.412 2.866 20 0 DFADRP C[C@H]1CCC[C@@H]([NH+]2CCC([NH2+]CCc3cn(C)cn3)CC2)C1 ZINC000459662795 299158845 /nfs/dbraw/zinc/15/88/45/299158845.db2.gz ODIWQGSVASGSSN-MAUKXSAKSA-N 2 0 304.482 2.595 20 0 DFADRP CSC1(C[NH2+]CC2CC[NH+](C3CCOCC3)CC2)CCC1 ZINC000597177796 398583410 /nfs/dbraw/zinc/58/34/10/398583410.db2.gz PFURICYAMOYHJE-UHFFFAOYSA-N 2 0 312.523 2.753 20 0 DFADRP CCc1ccc(C)[nH+]c1NC1CC[NH+](CCCC(=O)OC)CC1 ZINC000597184476 398584207 /nfs/dbraw/zinc/58/42/07/398584207.db2.gz NXWMCJLWAXFIGP-UHFFFAOYSA-N 2 0 319.449 2.782 20 0 DFADRP COC(=O)c1ccc2c(c1)[C@@H](C[NH2+]C1CCN(C)CC1)CCC2 ZINC000597200210 398588574 /nfs/dbraw/zinc/58/85/74/398588574.db2.gz HDMUMNNEUSOJLY-MRXNPFEDSA-N 2 0 316.445 2.577 20 0 DFADRP COC(=O)[C@H]1C[C@@H]([NH2+]C2CC[NH+]([C@H]3CCCC[C@@H]3C)CC2)C1 ZINC000597221617 398594834 /nfs/dbraw/zinc/59/48/34/398594834.db2.gz TURQULGKEXCDSJ-DIECFANBSA-N 2 0 308.466 2.571 20 0 DFADRP C[C@@H](C(=O)N1CCC[C@H]([NH+]2CCCC2)CC1)[NH+]1CCCCCC1 ZINC000150744445 186062343 /nfs/dbraw/zinc/06/23/43/186062343.db2.gz FIGDSVLJJFHILL-ROUUACIJSA-N 2 0 321.509 2.728 20 0 DFADRP C[C@H]([NH2+]C[C@H](O)C[NH+]1CCCC1)[C@@H](C)c1ccc(Cl)cc1 ZINC000280021298 215317883 /nfs/dbraw/zinc/31/78/83/215317883.db2.gz UAXABOPJFGBDLJ-KEYYUXOJSA-N 2 0 310.869 2.878 20 0 DFADRP C[C@@H](C[NH2+]C1CC[NH+](C[C@H]2CCOC2)CC1)Cc1ccccc1 ZINC000152654090 186094490 /nfs/dbraw/zinc/09/44/90/186094490.db2.gz KKHXAJZAJKEBCZ-IEBWSBKVSA-N 2 0 316.489 2.956 20 0 DFADRP [NH3+]Cc1ccc(-c2noc(C3C[NH+](C4CCCCC4)C3)n2)cc1 ZINC000414655475 295812434 /nfs/dbraw/zinc/81/24/34/295812434.db2.gz ZYYZKVJYLBRMTG-UHFFFAOYSA-N 2 0 312.417 2.927 20 0 DFADRP C[C@@H](CN1CC[NH+](C)CC1)[NH2+][C@@H]1CC[C@@](C)(c2ccccc2)C1 ZINC000187982735 186239135 /nfs/dbraw/zinc/23/91/35/186239135.db2.gz OJDJZIVPCRPHOH-DFQSSKMNSA-N 2 0 315.505 2.722 20 0 DFADRP C[C@@H](CC(=O)Nc1ccccc1)[NH2+]CC[C@@H]1CCC[N@H+](C)C1 ZINC000459720998 299172686 /nfs/dbraw/zinc/17/26/86/299172686.db2.gz AAWHISVXWCDNMJ-HOTGVXAUSA-N 2 0 303.450 2.725 20 0 DFADRP C[C@H]1C[C@H](C[NH2+]C2(c3cccc(F)c3)CCOCC2)CC[NH2+]1 ZINC000414710690 295818384 /nfs/dbraw/zinc/81/83/84/295818384.db2.gz QGUDIDBDNOENAI-LSDHHAIUSA-N 2 0 306.425 2.809 20 0 DFADRP C[N@@H+]1CCC[C@@H](CC[NH2+]Cc2cccc3c2OCCCO3)C1 ZINC000459729361 299174919 /nfs/dbraw/zinc/17/49/19/299174919.db2.gz JCUAIJFSERGZEB-HNNXBMFYSA-N 2 0 304.434 2.669 20 0 DFADRP COc1cc(C)c(C[NH2+]CC[C@H]2CCC[N@H+](C)C2)cc1OC ZINC000459731209 299174817 /nfs/dbraw/zinc/17/48/17/299174817.db2.gz KXFIYJDRZQXGSF-OAHLLOKOSA-N 2 0 306.450 2.834 20 0 DFADRP CCCOc1ccc(C[NH2+][C@@H](C)[C@H]2CCC[NH2+]C2)cc1OC ZINC000414822484 295822122 /nfs/dbraw/zinc/82/21/22/295822122.db2.gz AGBCIIUKMLNFSH-HOCLYGCPSA-N 2 0 306.450 2.962 20 0 DFADRP Cn1cc(-c2ccc(C[NH2+]C3C[C@H]4CC[C@@H](C3)[NH2+]4)s2)cn1 ZINC000414832616 295823515 /nfs/dbraw/zinc/82/35/15/295823515.db2.gz QXGSECRZEFFDDT-PBWFPOADSA-N 2 0 302.447 2.521 20 0 DFADRP Fc1ccc(Br)c(C[NH2+]CC[C@H]2CC[NH2+]C2)c1 ZINC000414832172 295823523 /nfs/dbraw/zinc/82/35/23/295823523.db2.gz NYXJPTCHPNDXNS-SNVBAGLBSA-N 2 0 301.203 2.677 20 0 DFADRP Cc1ccc(NC(=O)C[C@H](C)[NH2+]CC[C@H]2CC[NH2+]C2)c(C)c1 ZINC000414842200 295824803 /nfs/dbraw/zinc/82/48/03/295824803.db2.gz YSTBROPFKYYYPU-JKSUJKDBSA-N 2 0 303.450 2.610 20 0 DFADRP c1sc(COc2ccccc2)nc1C[NH2+]CC[C@@H]1CC[NH2+]C1 ZINC000414840597 295824960 /nfs/dbraw/zinc/82/49/60/295824960.db2.gz XHWNLWHBHJMWDI-AWEZNQCLSA-N 2 0 317.458 2.811 20 0 DFADRP Cc1nn(-c2ccccc2)c(C)c1C[NH2+]CC[C@H]1CCC[NH2+]C1 ZINC000414850895 295826067 /nfs/dbraw/zinc/82/60/67/295826067.db2.gz NMUKWDXFBHMBBM-QGZVFWFLSA-N 2 0 312.461 2.968 20 0 DFADRP Oc1cccc(C[NH2+]CC[C@H]2CCC[NH2+]C2)c1Br ZINC000414850956 295826079 /nfs/dbraw/zinc/82/60/79/295826079.db2.gz ZVXNJTQHJMNIBA-LLVKDONJSA-N 2 0 313.239 2.634 20 0 DFADRP Oc1cccc(C[NH2+]CC[C@@H]2CCC[NH2+]C2)c1Br ZINC000414850959 295826185 /nfs/dbraw/zinc/82/61/85/295826185.db2.gz ZVXNJTQHJMNIBA-NSHDSACASA-N 2 0 313.239 2.634 20 0 DFADRP C[C@H](O)C[NH+]1CCC(CN(C)c2cc[nH+]c3ccccc32)CC1 ZINC000171986679 198020649 /nfs/dbraw/zinc/02/06/49/198020649.db2.gz ABZVVXFNRJDYDI-HNNXBMFYSA-N 2 0 313.445 2.764 20 0 DFADRP C[NH2+]C[C@H](C)C[NH2+]Cc1ccc(OCC(F)(F)F)c(OC)c1 ZINC000414845302 295825564 /nfs/dbraw/zinc/82/55/64/295825564.db2.gz SCVNGUSUPXQIAY-NSHDSACASA-N 2 0 320.355 2.581 20 0 DFADRP C[N@@H+]1CCC[C@H](CC[NH2+]Cc2cnc([C@H]3CCCO3)s2)C1 ZINC000459744040 299179643 /nfs/dbraw/zinc/17/96/43/299179643.db2.gz XPFQQAPOKPFJJC-UKRRQHHQSA-N 2 0 309.479 2.816 20 0 DFADRP Cc1ccc(-c2cccc(C[NH2+]CCN3CC[NH2+]CC3)c2)cc1 ZINC000414864833 295827662 /nfs/dbraw/zinc/82/76/62/295827662.db2.gz KFLMAXOWMXPGQO-UHFFFAOYSA-N 2 0 309.457 2.657 20 0 DFADRP CCOC(=O)C(C)(C)CCC[C@H](C)[NH2+]CC1=CC[N@H+](C)CC1 ZINC000593610972 398661790 /nfs/dbraw/zinc/66/17/90/398661790.db2.gz GLUGBXPPUVAFLJ-HNNXBMFYSA-N 2 0 310.482 2.986 20 0 DFADRP Cc1nn(Cc2ccc(C)cc2)c(C)c1C[NH2+]C[C@@H](C)C[NH3+] ZINC000414885411 295830369 /nfs/dbraw/zinc/83/03/69/295830369.db2.gz WXLYTKCDIIZUHG-AWEZNQCLSA-N 2 0 300.450 2.541 20 0 DFADRP CCCOc1cc(C[NH2+]C[C@@]2(C)CCC[NH2+]C2)ccc1OC ZINC000414898078 295831984 /nfs/dbraw/zinc/83/19/84/295831984.db2.gz FWINLSSQOJXNIT-SFHVURJKSA-N 2 0 306.450 2.963 20 0 DFADRP COc1ccc(OC(F)F)c(C[NH2+]CC2(C)CC[NH2+]CC2)c1 ZINC000414898038 295831818 /nfs/dbraw/zinc/83/18/18/295831818.db2.gz FREQJEKANMWWJH-UHFFFAOYSA-N 2 0 314.376 2.776 20 0 DFADRP CC(C)c1ccccc1NC(=O)C[C@@H](C)[NH2+]C[C@H]1CC[NH2+]C1 ZINC000414916228 295834626 /nfs/dbraw/zinc/83/46/26/295834626.db2.gz PEAVQLMDOVGRJZ-CABCVRRESA-N 2 0 303.450 2.726 20 0 DFADRP C[C@@H]1C[C@@H]([NH2+]Cc2c[nH]nc2-c2ccc(Cl)cc2)CC[NH2+]1 ZINC000414962750 295841592 /nfs/dbraw/zinc/84/15/92/295841592.db2.gz ZXTQAJGQOZYYAR-ABAIWWIYSA-N 2 0 304.825 2.960 20 0 DFADRP C[C@H]1C[NH2+]CC[C@@H]1[NH2+]Cc1c[nH]nc1-c1ccc(Cl)cc1 ZINC000414963675 295841665 /nfs/dbraw/zinc/84/16/65/295841665.db2.gz ULCLYRJJTDEKQD-NHYWBVRUSA-N 2 0 304.825 2.818 20 0 DFADRP C[C@@H](NC(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1)[C@H](C)[NH3+] ZINC000414964487 295841747 /nfs/dbraw/zinc/84/17/47/295841747.db2.gz MHAHYYAMDAKVHA-LSDHHAIUSA-N 2 0 318.465 2.572 20 0 DFADRP COCC1(C[NH2+]Cc2ccc(F)c(Cl)c2)CC[NH2+]CC1 ZINC000414969511 295842551 /nfs/dbraw/zinc/84/25/51/295842551.db2.gz GPQIBHJFGOBMGS-UHFFFAOYSA-N 2 0 300.805 2.585 20 0 DFADRP COc1cc2c(c(C[NH2+]CCC[C@H]3CCC[NH2+]3)c1)O[C@@H](C)C2 ZINC000414976361 295843389 /nfs/dbraw/zinc/84/33/89/295843389.db2.gz PRCYMJQPRUOOTJ-BBRMVZONSA-N 2 0 304.434 2.640 20 0 DFADRP Brc1csc(C[NH2+][C@@H]2C[C@H]2C2CC[NH2+]CC2)c1 ZINC000414995873 295845240 /nfs/dbraw/zinc/84/52/40/295845240.db2.gz FYGZXERSXVJGML-QWHCGFSZSA-N 2 0 315.280 2.988 20 0 DFADRP CCOc1c(OC)cc(C[NH2+]C[C@@H]2CCC[C@H]([NH3+])C2)cc1OC ZINC000414996575 295845359 /nfs/dbraw/zinc/84/53/59/295845359.db2.gz OQNFAQFQHNABBK-HIFRSBDPSA-N 2 0 322.449 2.710 20 0 DFADRP Cn1c2cc(Cl)ccc2nc1C[NH2+]C[C@@H]1CCC[C@H]([NH3+])C1 ZINC000414998173 295845476 /nfs/dbraw/zinc/84/54/76/295845476.db2.gz IAFPZAUJAUTDRE-YPMHNXCESA-N 2 0 306.841 2.834 20 0 DFADRP COc1ccc(-c2n[nH]cc2C[NH2+]C[C@H]2CCC[C@@H]([NH3+])C2)cc1 ZINC000414994241 295844959 /nfs/dbraw/zinc/84/49/59/295844959.db2.gz LXEBYTBEWPRNMT-XJKSGUPXSA-N 2 0 314.433 2.692 20 0 DFADRP Fc1ccc([C@@H]2CC[NH2+]C[C@@H]2C[NH2+]CC[C@@H]2CCOC2)cc1 ZINC000415001741 295846249 /nfs/dbraw/zinc/84/62/49/295846249.db2.gz LJLVSFMDPKDKEU-HFTRVMKXSA-N 2 0 306.425 2.535 20 0 DFADRP Cn1cc(-c2ccc(C[NH2+]CC[C@@H]3CCC[N@H+](C)C3)s2)cn1 ZINC000459785515 299192515 /nfs/dbraw/zinc/19/25/15/299192515.db2.gz OTBWIUQRPRLLFJ-AWEZNQCLSA-N 2 0 318.490 2.970 20 0 DFADRP COc1cc(OC)c(C[NH2+]C[C@H]2CC[C@H](C[NH3+])CC2)c(OC)c1 ZINC000415021735 295848128 /nfs/dbraw/zinc/84/81/28/295848128.db2.gz IAYAMCCCKBNCHV-HDJSIYSDSA-N 2 0 322.449 2.567 20 0 DFADRP C[C@H]1CCCC[C@H]1NC(=O)C[NH+]1CCC(CCC[NH+](C)C)CC1 ZINC000123107436 282841807 /nfs/dbraw/zinc/84/18/07/282841807.db2.gz NXWIGUYOYLWCLL-FUHWJXTLSA-N 2 0 323.525 2.735 20 0 DFADRP COCCCOc1cccc(C[NH2+]C[C@H]2CC[C@H](C[NH3+])CC2)c1 ZINC000415025489 295848428 /nfs/dbraw/zinc/84/84/28/295848428.db2.gz QFUGLQSXZNCWGV-QAQDUYKDSA-N 2 0 320.477 2.957 20 0 DFADRP [NH3+]C[C@H]1CC[C@H]([NH2+]Cc2ccccc2OCc2ccccn2)C1 ZINC000415048292 295850951 /nfs/dbraw/zinc/85/09/51/295850951.db2.gz WSWZBCSLJMAOQY-RDJZCZTQSA-N 2 0 311.429 2.878 20 0 DFADRP C([NH2+][C@@H]1CCC[C@@H]2C[C@@H]21)C1(C[NH2+][C@H]2CCC[C@@H]3C[C@@H]32)COC1 ZINC000459790448 299194411 /nfs/dbraw/zinc/19/44/11/299194411.db2.gz SFTOWHWANKLCTP-LMMHAMTPSA-N 2 0 304.478 2.559 20 0 DFADRP COc1ccc(Br)c(C[NH2+][C@H]2CC[C@@H](C[NH3+])C2)c1 ZINC000415045489 295850681 /nfs/dbraw/zinc/85/06/81/295850681.db2.gz UCPQICIPTSGAQD-PWSUYJOCSA-N 2 0 313.239 2.675 20 0 DFADRP c1cc(C[NH2+]CCc2ccc(OCC[NH+]3CCCC3)cc2)c[nH]1 ZINC000182048856 199379544 /nfs/dbraw/zinc/37/95/44/199379544.db2.gz LLICZJKOTQHDCG-UHFFFAOYSA-N 2 0 313.445 2.822 20 0 DFADRP C[N@@H+]1CCC[C@@H](CC[NH2+]Cc2cc(-n3ccnc3)cs2)C1 ZINC000459797453 299195590 /nfs/dbraw/zinc/19/55/90/299195590.db2.gz WRCOGRASSUQHHU-AWEZNQCLSA-N 2 0 304.463 2.755 20 0 DFADRP COc1ccc([C@H](CN[C@H]2CCC[NH2+]C2)[NH+]2CCCCC2)cc1 ZINC000415089000 295856417 /nfs/dbraw/zinc/85/64/17/295856417.db2.gz WBWMRLBQFNAIKG-HKUYNNGSSA-N 2 0 317.477 2.564 20 0 DFADRP CC[N@H+](C)C[C@H]1CC[NH+](CCC(=O)Nc2cccc(Cl)c2)C1 ZINC000173911312 198268343 /nfs/dbraw/zinc/26/83/43/198268343.db2.gz PMWYRFBNUTXHGW-CQSZACIVSA-N 2 0 323.868 2.942 20 0 DFADRP CC(C)[C@@H]([NH2+]CC1CC[NH2+]CC1)c1ccc2c(c1)OCCO2 ZINC000415089671 295856574 /nfs/dbraw/zinc/85/65/74/295856574.db2.gz ZEKWOMWGYJXUJG-GOSISDBHSA-N 2 0 304.434 2.744 20 0 DFADRP C[N@@H+](CCC(=O)Nc1ccccc1)CC[C@H]1CCCC[NH+]1C ZINC000173956150 198273114 /nfs/dbraw/zinc/27/31/14/198273114.db2.gz HVFZLAQMQASNLI-QGZVFWFLSA-N 2 0 303.450 2.821 20 0 DFADRP OCC1([C@H]([NH2+]CC2CC[NH2+]CC2)c2ccccc2)CCCC1 ZINC000415094175 295857050 /nfs/dbraw/zinc/85/70/50/295857050.db2.gz DEZDJZYFEZDSOJ-GOSISDBHSA-N 2 0 302.462 2.870 20 0 DFADRP CC(C)c1ccc(C[NH2+]CCCN2CCC[N@H+](C)CC2)cc1 ZINC000105476579 398693373 /nfs/dbraw/zinc/69/33/73/398693373.db2.gz PFVAXZIXFBHRBD-UHFFFAOYSA-N 2 0 303.494 2.927 20 0 DFADRP CC[NH+]1CCN(c2cccc(N[C@H](C)C[C@@H]3CCC[NH2+]3)c2)CC1 ZINC000415101843 295857925 /nfs/dbraw/zinc/85/79/25/295857925.db2.gz IJGPZNXGFNNEFW-SJORKVTESA-N 2 0 316.493 2.771 20 0 DFADRP C[C@H](CC1CCOCC1)C[NH+]1CCC([C@@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000415107736 295858851 /nfs/dbraw/zinc/85/88/51/295858851.db2.gz LLZCAMVOZLOXDS-MNEFBYGVSA-N 2 0 324.509 2.658 20 0 DFADRP [NH3+][C@H]1CCCO[C@@H]1C1CC[NH+](Cc2ccc3c(c2)CCC3)CC1 ZINC000415104130 295858543 /nfs/dbraw/zinc/85/85/43/295858543.db2.gz GOGOHFNRAQDQKF-VQTJNVASSA-N 2 0 314.473 2.894 20 0 DFADRP C[C@@H]1C[C@H](C[NH2+]Cc2cccc(NC(=O)C3CCC3)c2)CC[NH2+]1 ZINC000415104899 295858557 /nfs/dbraw/zinc/85/85/57/295858557.db2.gz LSUYXKUBMCYDQO-GDBMZVCRSA-N 2 0 315.461 2.903 20 0 DFADRP Cc1ccc(F)cc1C[NH+]1CCC([C@H]2C[C@@H]([NH3+])CCO2)CC1 ZINC000415122016 295861054 /nfs/dbraw/zinc/86/10/54/295861054.db2.gz JBRBOZNMNFBXEC-ZWKOTPCHSA-N 2 0 306.425 2.852 20 0 DFADRP Cc1cc(C[NH+]2CCC([C@@H]3C[C@@H]([NH3+])CCO3)CC2)ccc1F ZINC000415121230 295860948 /nfs/dbraw/zinc/86/09/48/295860948.db2.gz HSYVLDKUSOWZTE-WMZOPIPTSA-N 2 0 306.425 2.852 20 0 DFADRP c1cnn(Cc2ccc(C[NH2+][C@@H]3CCC[C@H]3[C@@H]3CCC[NH2+]3)cc2)c1 ZINC000415124677 295861572 /nfs/dbraw/zinc/86/15/72/295861572.db2.gz RFHFJUIQUBXUAJ-SLFFLAALSA-N 2 0 324.472 2.942 20 0 DFADRP COc1ccc(C[NH+]2CCC([C@@H]3OCCC[C@@H]3[NH3+])CC2)cc1C ZINC000415130349 295862307 /nfs/dbraw/zinc/86/23/07/295862307.db2.gz QPQUBGPRIOWGGZ-HKUYNNGSSA-N 2 0 318.461 2.722 20 0 DFADRP Cc1ccc(C[NH+]2CCC([C@H]3OCCC[C@H]3[NH3+])CC2)cc1F ZINC000415137204 295863792 /nfs/dbraw/zinc/86/37/92/295863792.db2.gz XYFLJNFYJHCQOL-QZTJIDSGSA-N 2 0 306.425 2.852 20 0 DFADRP [NH3+]CC1(O)CC[NH+](Cc2ccc(-c3ccccc3F)s2)CC1 ZINC000415141928 295864247 /nfs/dbraw/zinc/86/42/47/295864247.db2.gz ONUDIAIVAQKBKX-UHFFFAOYSA-N 2 0 320.433 2.840 20 0 DFADRP C[C@@H](C[NH+]1CCC(O)(C[NH3+])CC1)c1ccc(C(F)(F)F)cc1 ZINC000415143000 295864349 /nfs/dbraw/zinc/86/43/49/295864349.db2.gz AFJIFKXAUPHRCD-LBPRGKRZSA-N 2 0 316.367 2.595 20 0 DFADRP CC[C@](C[NH2+][C@@H](C)C[C@@H]1CCC[NH2+]1)(C(=O)OC)c1ccccc1 ZINC000415146889 295864881 /nfs/dbraw/zinc/86/48/81/295864881.db2.gz ZKNQKCNLJXMJIW-VDZJLULYSA-N 2 0 318.461 2.628 20 0 DFADRP CC[NH+]1CCN(CCC[NH2+][C@H]2CCC[C@@H](C(F)(F)F)C2)CC1 ZINC000129277300 283008895 /nfs/dbraw/zinc/00/88/95/283008895.db2.gz HLSUTNSRUDRCHA-CABCVRRESA-N 2 0 321.431 2.725 20 0 DFADRP C[C@@H]1CCC[N@H+](Cc2ccc(NC(=O)C[C@@H]3CC[NH2+]C3)cc2)C1 ZINC000130382512 283047802 /nfs/dbraw/zinc/04/78/02/283047802.db2.gz AJELEGTZSPGQFX-WBVHZDCISA-N 2 0 315.461 2.857 20 0 DFADRP Cc1nccn1CCCN(C)Cc1csc(N(C)C2CC2)n1 ZINC000130528585 283051815 /nfs/dbraw/zinc/05/18/15/283051815.db2.gz WUJSAAKGVOIMDT-UHFFFAOYSA-N 2 0 319.478 2.769 20 0 DFADRP CC(C)[C@@H]1CCC[N@H+](CC(=O)NC2CC[NH+](C(C)C)CC2)CC1 ZINC000114729010 398746879 /nfs/dbraw/zinc/74/68/79/398746879.db2.gz VXCSSCXULVYGCK-QGZVFWFLSA-N 2 0 323.525 2.734 20 0 DFADRP CC[NH2+]Cc1ccccc1NC(=O)NCC[NH+]1CCC(C)CC1 ZINC000415940725 295905030 /nfs/dbraw/zinc/90/50/30/295905030.db2.gz FNKCCSSVAJBGKA-UHFFFAOYSA-N 2 0 318.465 2.650 20 0 DFADRP C[NH+](C)[C@H](CNC(=O)Nc1ccc(C[NH3+])cc1)c1cccs1 ZINC000415957562 295906141 /nfs/dbraw/zinc/90/61/41/295906141.db2.gz MPPAWOMMJZMZOU-CQSZACIVSA-N 2 0 318.446 2.631 20 0 DFADRP Cc1ccc2c(c1)[C@@H]([NH2+]C[C@H](C(C)C)N1CC[NH+](C)CC1)CC2 ZINC000132518617 283121990 /nfs/dbraw/zinc/12/19/90/283121990.db2.gz XOZLATMZEATSAX-VQTJNVASSA-N 2 0 315.505 2.844 20 0 DFADRP FC(F)(F)CCCC[NH+]1CCC(C[NH+]2CCOCC2)CC1 ZINC000132453626 283119239 /nfs/dbraw/zinc/11/92/39/283119239.db2.gz ITYPBQQDWORENP-UHFFFAOYSA-N 2 0 308.388 2.763 20 0 DFADRP C[C@H](NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)[C@@H](c1ccccc1)[NH+](C)C ZINC000290679901 299233780 /nfs/dbraw/zinc/23/37/80/299233780.db2.gz HRXFRWYECGELJL-LAQRGFTBSA-N 2 0 317.477 2.524 20 0 DFADRP C[NH2+]Cc1ccc(NC(=O)NC2CC[NH+](C(C)(C)C)CC2)cc1 ZINC000415975134 295907807 /nfs/dbraw/zinc/90/78/07/295907807.db2.gz SJRGSNNWHNJLNU-UHFFFAOYSA-N 2 0 318.465 2.790 20 0 DFADRP C[N@@H+]1CC[C@H]([NH2+][C@@H]2CCO[C@]3(CCSC3)C2)[C@@H]2CCC[C@@H]21 ZINC000353628830 283141408 /nfs/dbraw/zinc/14/14/08/283141408.db2.gz CBGYTFFZRSELGP-JSRQGNBESA-N 2 0 310.507 2.504 20 0 DFADRP C[N@@H+]1CC[C@@H](C(=O)Nc2ccc(CC[NH+]3CCCCC3)cc2)C1 ZINC000591440906 398761685 /nfs/dbraw/zinc/76/16/85/398761685.db2.gz JWCMIEGYBSJLNT-QGZVFWFLSA-N 2 0 315.461 2.605 20 0 DFADRP CCC[N@H+](C)C[C@@H]1CCN(C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC000081363259 192257703 /nfs/dbraw/zinc/25/77/03/192257703.db2.gz YWGUSXVJMZLQGV-KRWDZBQOSA-N 2 0 317.477 2.552 20 0 DFADRP c1oc2ccccc2c1C[NH+]1CCC(C[NH+]2CCOCC2)CC1 ZINC000134083787 283172632 /nfs/dbraw/zinc/17/26/32/283172632.db2.gz QPTBDWKEBPSBQN-UHFFFAOYSA-N 2 0 314.429 2.977 20 0 DFADRP CC[NH+](CC)CCC[C@@H](C)NC(=O)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000236854574 202039523 /nfs/dbraw/zinc/03/95/23/202039523.db2.gz LEDMKMQFFUEFOZ-MGNMYUMUSA-N 2 0 309.498 2.534 20 0 DFADRP CC[NH+](CC)[C@H](CNC(=O)CCC[NH3+])c1ccccc1Cl ZINC000236875425 202048634 /nfs/dbraw/zinc/04/86/34/202048634.db2.gz UWYQZIGDIUWTPT-OAHLLOKOSA-N 2 0 311.857 2.578 20 0 DFADRP CC[NH+](CC)[C@H](CNC(=O)C1(C[NH3+])CCCC1)c1ccccc1 ZINC000236873459 202045645 /nfs/dbraw/zinc/04/56/45/202045645.db2.gz XJOOWXUNQXVZSH-QGZVFWFLSA-N 2 0 317.477 2.705 20 0 DFADRP CCC[N@H+](CC)C[C@H](C)NC(=O)[C@@H](C)[NH+](C)Cc1ccccc1 ZINC000359775985 283185461 /nfs/dbraw/zinc/18/54/61/283185461.db2.gz VBOGLYXWGBWENK-DLBZAZTESA-N 2 0 319.493 2.744 20 0 DFADRP CCC[C@H]([NH3+])C(=O)NCc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000236886841 202052466 /nfs/dbraw/zinc/05/24/66/202052466.db2.gz WEXSXYWPBZCWFZ-SFHVURJKSA-N 2 0 317.477 2.806 20 0 DFADRP CC[NH+](CC)Cc1ccccc1CNC(=O)C1(C[NH3+])CCCC1 ZINC000236906322 202062930 /nfs/dbraw/zinc/06/29/30/202062930.db2.gz HKFBZIBKKQYFGD-UHFFFAOYSA-N 2 0 317.477 2.664 20 0 DFADRP CC[NH+](CC)Cc1ccccc1CNC(=O)C(CC)(CC)C[NH3+] ZINC000236906269 202063591 /nfs/dbraw/zinc/06/35/91/202063591.db2.gz OOFAHZQLDCEVGR-UHFFFAOYSA-N 2 0 319.493 2.910 20 0 DFADRP C/C(=C/c1ccccc1)C[NH2+]CCCN1CCC[N@@H+](C)CC1 ZINC000591718900 398782834 /nfs/dbraw/zinc/78/28/34/398782834.db2.gz QOWFLQDZVJTYIH-VLGSPTGOSA-N 2 0 301.478 2.707 20 0 DFADRP CCc1ccc([C@@H](CNC(=O)[C@@]2(CC)CCC[NH2+]2)[NH+](C)C)cc1 ZINC000134553987 283192103 /nfs/dbraw/zinc/19/21/03/283192103.db2.gz ZXBYDMWDKASEKY-IEBWSBKVSA-N 2 0 317.477 2.500 20 0 DFADRP CCC[C@@H]([NH3+])C(=O)NCc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000236969666 202100325 /nfs/dbraw/zinc/10/03/25/202100325.db2.gz HCHWIHGEGBTCSE-CRAIPNDOSA-N 2 0 317.477 2.662 20 0 DFADRP Cc1ccc(C[NH+](C)C)cc1NC(=O)CCC1CC[NH2+]CC1 ZINC000237050629 202135765 /nfs/dbraw/zinc/13/57/65/202135765.db2.gz RFCHORPFVOYXIO-UHFFFAOYSA-N 2 0 303.450 2.775 20 0 DFADRP CC[C@H](C)[NH+]1CCN(C(=O)C[C@@H](c2ccccc2)[NH+](C)C)CC1 ZINC000416249165 295934472 /nfs/dbraw/zinc/93/44/72/295934472.db2.gz WGOHIWCHILVVIV-WMZOPIPTSA-N 2 0 317.477 2.622 20 0 DFADRP CC[C@@]1(C)C[NH+](CCCC[N@@H+]2CCO[C@@](C)(CC)C2)CCO1 ZINC000135676545 283227248 /nfs/dbraw/zinc/22/72/48/283227248.db2.gz YEWHCLXMDKZZGD-ROUUACIJSA-N 2 0 312.498 2.768 20 0 DFADRP COc1ccc(C[C@H](C)[NH2+]C[C@H](C)C[NH+]2CCCC2)cc1OC ZINC000237232916 202199410 /nfs/dbraw/zinc/19/94/10/202199410.db2.gz HEHIXVXLSOCVCN-HOTGVXAUSA-N 2 0 320.477 2.956 20 0 DFADRP CCCN(CC[NH+](CC)CC)C(=O)CC[C@H]1CCCC[N@@H+]1C ZINC000356149991 283232505 /nfs/dbraw/zinc/23/25/05/283232505.db2.gz VKIGXBCQROGOIW-QGZVFWFLSA-N 2 0 311.514 2.831 20 0 DFADRP NC(=O)[C@@H]1CCC[N@H+](CCC[NH2+][C@@H]2CCc3ccccc32)C1 ZINC000331697580 283265177 /nfs/dbraw/zinc/26/51/77/283265177.db2.gz DFYSESUKWLKIMQ-NVXWUHKLSA-N 2 0 301.434 2.901 20 0 DFADRP C[C@H]1C[C@H]([NH3+])CC[N@@H+]1CCOc1ccc(Br)cc1 ZINC000124531219 398803558 /nfs/dbraw/zinc/80/35/58/398803558.db2.gz URRMDVRGWFCZEP-WCQYABFASA-N 2 0 313.239 2.640 20 0 DFADRP CCO[C@H](CC[NH+](C)C)C[NH2+]Cc1cccc2c1OC(C)(C)C2 ZINC000150998973 283273432 /nfs/dbraw/zinc/27/34/32/283273432.db2.gz XDWLIAPLNPKWRF-QGZVFWFLSA-N 2 0 320.477 2.847 20 0 DFADRP C[NH+](C)CC[C@@H]([NH2+]C1CCN(CC(F)F)CC1)C(C)(C)C ZINC000125916657 398809191 /nfs/dbraw/zinc/80/91/91/398809191.db2.gz NDSDOAPLDGPGQV-CQSZACIVSA-N 2 0 305.457 2.672 20 0 DFADRP C[NH+](C)CC[C@H]([NH2+]C1CCN(CC(F)F)CC1)C(C)(C)C ZINC000125916851 398809363 /nfs/dbraw/zinc/80/93/63/398809363.db2.gz NDSDOAPLDGPGQV-AWEZNQCLSA-N 2 0 305.457 2.672 20 0 DFADRP CC(C)[C@H](C[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1)C(=O)OC(C)(C)C ZINC000594510518 398812946 /nfs/dbraw/zinc/81/29/46/398812946.db2.gz AFNFLQNAHQSKRZ-PMPSAXMXSA-N 2 0 310.482 2.817 20 0 DFADRP C[NH+](C)C[C@@H]1CCN(Cc2c[nH]nc2-c2c(F)cccc2F)C1 ZINC000179632433 199067988 /nfs/dbraw/zinc/06/79/88/199067988.db2.gz DIQCMRVYPJEIFJ-LBPRGKRZSA-N 2 0 320.387 2.738 20 0 DFADRP C[C@H](c1ccc(F)cc1)[NH+]1CCC(C[NH+]2CCOCC2)CC1 ZINC000051959005 398828061 /nfs/dbraw/zinc/82/80/61/398828061.db2.gz UVCIWJJGWYIWIV-OAHLLOKOSA-N 2 0 306.425 2.931 20 0 DFADRP C[C@@H](C[NH2+]C1CCN(c2cc[nH+]cc2)CC1)C(=O)OC(C)(C)C ZINC000594613680 398832975 /nfs/dbraw/zinc/83/29/75/398832975.db2.gz QMGOQPDJISRUDQ-AWEZNQCLSA-N 2 0 319.449 2.618 20 0 DFADRP C[NH+](C)Cc1cccc(NC(=O)c2ccc3c(c2)CC[NH2+]CC3)c1 ZINC000276680032 213043647 /nfs/dbraw/zinc/04/36/47/213043647.db2.gz SSUGZKLWCYIFIX-UHFFFAOYSA-N 2 0 323.440 2.689 20 0 DFADRP C[C@H]([NH2+]C1CCN(CC[NH+](C)C)CC1)C(C)(C)c1ccccc1 ZINC000150950019 299272839 /nfs/dbraw/zinc/27/28/39/299272839.db2.gz YLBGJJUBBKTTRW-KRWDZBQOSA-N 2 0 317.521 2.968 20 0 DFADRP CC[C@@H]([NH3+])C(=O)NCc1ccc(C[NH+]2C[C@H](C)C[C@@H](C)C2)cc1 ZINC000130321072 398843845 /nfs/dbraw/zinc/84/38/45/398843845.db2.gz RRKSAPWGIXHVFE-IIDMSEBBSA-N 2 0 317.477 2.518 20 0 DFADRP CC[C@@H]([NH3+])C(=O)NCC(CC)(CC)[NH2+][C@@H](C)c1ccccc1 ZINC000130512344 398845984 /nfs/dbraw/zinc/84/59/84/398845984.db2.gz QLUHTUXOQHUNTH-GOEBONIOSA-N 2 0 305.466 2.750 20 0 DFADRP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1ccc2c(c1)OCCO2 ZINC000295921299 299273741 /nfs/dbraw/zinc/27/37/41/299273741.db2.gz JWKGRKLNKGLWGD-WWTUQBGBSA-N 2 0 302.418 2.734 20 0 DFADRP COC(=O)[C@@H]1C[C@H]1[C@@H](C)[NH2+]Cc1ccc(C[NH+]2CCCC2)cc1 ZINC000594920074 398870820 /nfs/dbraw/zinc/87/08/20/398870820.db2.gz RQEOONQSHYXRIF-FHLIZLRMSA-N 2 0 316.445 2.570 20 0 DFADRP CC[NH+](CC)Cc1ccccc1C[NH2+][C@H](C)[C@@H]1C[C@@H]1C(=O)OC ZINC000594920160 398871917 /nfs/dbraw/zinc/87/19/17/398871917.db2.gz SIOZMPYAMMSMRV-JLSDUUJJSA-N 2 0 318.461 2.816 20 0 DFADRP CC[C@@H](C(=O)NCC1([NH+](C)C)CCCCCC1)[NH+](CC)CC ZINC000468144943 299276911 /nfs/dbraw/zinc/27/69/11/299276911.db2.gz CSMDJUOKJNZRKG-INIZCTEOSA-N 2 0 311.514 2.878 20 0 DFADRP COC(=O)[C@@H]1C[C@H]1[C@H](C)[NH2+]Cc1ccccc1C[N@H+](C)C(C)C ZINC000594920938 398871487 /nfs/dbraw/zinc/87/14/87/398871487.db2.gz CGXSKFLZRGFMFF-JCGIZDLHSA-N 2 0 318.461 2.814 20 0 DFADRP CCSC1(C[NH2+]Cc2cn(-c3cc[nH+]cc3)nc2C)CC1 ZINC000594986144 398887342 /nfs/dbraw/zinc/88/73/42/398887342.db2.gz AKIHAESTEKOUQS-UHFFFAOYSA-N 2 0 302.447 2.951 20 0 DFADRP COC(=O)C[C@@H]1CC[C@@H]([NH2+]CC2CC[NH+](CC3CC3)CC2)[C@@H]1C ZINC000595001024 398889413 /nfs/dbraw/zinc/88/94/13/398889413.db2.gz PDLQGTZMXMGEJR-FHLIZLRMSA-N 2 0 322.493 2.676 20 0 DFADRP COC(=O)CC(C)(C)C[C@H](C)[NH2+]Cc1ccc2c[nH+]cn2c1 ZINC000595050704 398898241 /nfs/dbraw/zinc/89/82/41/398898241.db2.gz JDQZSMUGWWLMEK-ZDUSSCGKSA-N 2 0 303.406 2.792 20 0 DFADRP CCOC(=O)c1[nH]c(C)c(C[NH2+]C2CCC([NH+](C)C)CC2)c1C ZINC000598982325 398903184 /nfs/dbraw/zinc/90/31/84/398903184.db2.gz IIZSWAPIBNOGJJ-UHFFFAOYSA-N 2 0 321.465 2.771 20 0 DFADRP CC[N@@H+]1CC[C@H]([NH2+]CC2(C(=O)OC(C)(C)C)CCC2)[C@@H](C)C1 ZINC000595099531 398905363 /nfs/dbraw/zinc/90/53/63/398905363.db2.gz NJFWSHOXHSSWFI-GJZGRUSLSA-N 2 0 310.482 2.818 20 0 DFADRP CC[N@@H+]1CC[C@@H]([NH2+]CC2(C(=O)OC(C)(C)C)CCC2)[C@@H](C)C1 ZINC000595099533 398905607 /nfs/dbraw/zinc/90/56/07/398905607.db2.gz NJFWSHOXHSSWFI-LSDHHAIUSA-N 2 0 310.482 2.818 20 0 DFADRP C[NH+](C)C1CCN(CC[NH2+][C@@H](c2cccnc2)C2CCC2)CC1 ZINC000281020872 216026672 /nfs/dbraw/zinc/02/66/72/216026672.db2.gz ZIZNWHPCTZUOBS-LJQANCHMSA-N 2 0 316.493 2.538 20 0 DFADRP COC(=O)CC1CCC([NH2+]C2CC[NH+](CC(C)C)CC2)CC1 ZINC000599019911 398908101 /nfs/dbraw/zinc/90/81/01/398908101.db2.gz OZRGDKSKNGSUQC-UHFFFAOYSA-N 2 0 310.482 2.818 20 0 DFADRP C[NH+](C)CCNC(=O)c1cccc(C[NH2+]CCC(C)(C)C)c1 ZINC000187812275 200160834 /nfs/dbraw/zinc/16/08/34/200160834.db2.gz KEEFOBDSTUWFLN-UHFFFAOYSA-N 2 0 305.466 2.504 20 0 DFADRP COC(=O)CC1CCC([NH2+]Cc2ccc3c[nH+]cn3c2)CC1 ZINC000599049218 398913215 /nfs/dbraw/zinc/91/32/15/398913215.db2.gz NTTJGGULEAEXAY-UHFFFAOYSA-N 2 0 301.390 2.546 20 0 DFADRP C[C@H]1C[C@H](C)C[NH+](CCCCNC(=O)c2ccc(C[NH3+])cc2)C1 ZINC000237551498 202279629 /nfs/dbraw/zinc/27/96/29/202279629.db2.gz MYJXCTPWUYRVTJ-HOTGVXAUSA-N 2 0 317.477 2.633 20 0 DFADRP C[C@@H]1C[C@@H](C)C[NH+](Cc2ccc(CNC(=O)CCC[NH3+])cc2)C1 ZINC000237559970 202282386 /nfs/dbraw/zinc/28/23/86/202282386.db2.gz MJPIVCKXRAXHGH-HZPDHXFCSA-N 2 0 317.477 2.520 20 0 DFADRP C[C@H](CNC(=O)[C@H](C)[C@@H]([NH3+])c1ccccc1)[N@@H+]1CCC[C@@H](C)C1 ZINC000237567104 202286080 /nfs/dbraw/zinc/28/60/80/202286080.db2.gz PHZASWRAAFILFU-YFHUEUNASA-N 2 0 317.477 2.559 20 0 DFADRP CC(C)[NH+]1CCC(O)(C[NH2+]CCSCc2ccccc2)CC1 ZINC000281089719 216072238 /nfs/dbraw/zinc/07/22/38/216072238.db2.gz KBBPZNUWDPVQHH-UHFFFAOYSA-N 2 0 322.518 2.745 20 0 DFADRP C[NH+](C)CCNC(=O)c1ccc(C[NH2+]CCC(C)(C)C)cc1 ZINC000188266888 200219626 /nfs/dbraw/zinc/21/96/26/200219626.db2.gz XBDCWELYRVHPRM-UHFFFAOYSA-N 2 0 305.466 2.504 20 0 DFADRP CCOC(=O)[C@H]1CC[C@@H]([NH2+]C[C@@H]2CCCN2C)c2ccccc21 ZINC000599087634 398919373 /nfs/dbraw/zinc/91/93/73/398919373.db2.gz LIUVPKQKIGEHFT-JCGIZDLHSA-N 2 0 316.445 2.852 20 0 DFADRP C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)C[C@@H]([NH3+])c1ccccc1 ZINC000237668738 202323671 /nfs/dbraw/zinc/32/36/71/202323671.db2.gz VXRKPDXPELYZBF-SJLPKXTDSA-N 2 0 317.477 2.847 20 0 DFADRP C[C@H]1CCC[N@H+](Cc2ccc(NC(=O)C3CC[NH2+]CC3)cc2)C1 ZINC000237675601 202325867 /nfs/dbraw/zinc/32/58/67/202325867.db2.gz MTHSSCABMAAMOT-HNNXBMFYSA-N 2 0 315.461 2.857 20 0 DFADRP [NH2+]=C(NCc1ccc(C[NH+]2CCCC2)cc1)NC1CCCC1 ZINC000077754415 398922636 /nfs/dbraw/zinc/92/26/36/398922636.db2.gz DRIDMDRHRKHWLO-UHFFFAOYSA-N 2 0 300.450 2.839 20 0 DFADRP CC[C@H](CC(F)F)C[N@@H+]1CC[C@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000595337060 398924221 /nfs/dbraw/zinc/92/42/21/398924221.db2.gz JJPBNPJXCHQADX-CVEARBPZSA-N 2 0 317.468 2.768 20 0 DFADRP [NH3+]C1(C(=O)N2CCC[C@H](C[NH+]3CCCCCC3)C2)CCCCC1 ZINC000237886807 202378809 /nfs/dbraw/zinc/37/88/09/202378809.db2.gz XKMIDLKKAHOVAW-QGZVFWFLSA-N 2 0 321.509 2.763 20 0 DFADRP CC1CC[NH+](Cc2ccc(NC(=O)[C@H]3C[C@H](F)C[NH2+]3)cc2)CC1 ZINC000188712575 200291641 /nfs/dbraw/zinc/29/16/41/200291641.db2.gz BJZCETUUIQWFGR-DOTOQJQBSA-N 2 0 319.424 2.557 20 0 DFADRP C[N@H+](Cc1ccccc1)CC(C)(C)C[NH2+]C[C@H]1CC[C@@H](O)C1 ZINC000188833095 200310124 /nfs/dbraw/zinc/31/01/24/200310124.db2.gz WIUPKZBGEFBZNJ-ZWKOTPCHSA-N 2 0 304.478 2.895 20 0 DFADRP CC[NH+]1CCN(CCC[NH2+][C@H](C)[C@@H]2C[C@H]2c2cccs2)CC1 ZINC000417325290 296010189 /nfs/dbraw/zinc/01/01/89/296010189.db2.gz QMMKIECWWOVMLY-IXDOHACOSA-N 2 0 321.534 2.857 20 0 DFADRP Cn1cncc1C[N@@H+]1CCCC[C@H]1[C@H](C[NH3+])Cc1ccccc1 ZINC000471866455 299311124 /nfs/dbraw/zinc/31/11/24/299311124.db2.gz UIJUPZRUFXXBRT-HKUYNNGSSA-N 2 0 312.461 2.592 20 0 DFADRP C[C@H]([NH2+]C[C@H](O)C[NH+]1CCCC1)C12CC3CC(CC(C3)C1)C2 ZINC000314743702 299314508 /nfs/dbraw/zinc/31/45/08/299314508.db2.gz SEFIUMJNBWZWFL-CSDRPOHMSA-N 2 0 306.494 2.638 20 0 DFADRP CCCCNC(=O)CC[NH+]1CCC(C[NH+]2CCCCCC2)CC1 ZINC000604758550 398971881 /nfs/dbraw/zinc/97/18/81/398971881.db2.gz XROGRJXININTSI-UHFFFAOYSA-N 2 0 323.525 2.881 20 0 DFADRP C[C@@H]([NH3+])CCC(=O)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000193292710 201021612 /nfs/dbraw/zinc/02/16/12/201021612.db2.gz YXYNLDFURSGQHX-CYBMUJFWSA-N 2 0 323.868 2.548 20 0 DFADRP C[C@@H]([NH3+])CCC(=O)NCc1ccccc1C[NH+]1CCCCCC1 ZINC000193307463 201025657 /nfs/dbraw/zinc/02/56/57/201025657.db2.gz CVXFINOGQZDCDM-MRXNPFEDSA-N 2 0 317.477 2.806 20 0 DFADRP C[NH+](C)C1CCN(CC[NH2+]CCSCc2ccccc2)CC1 ZINC000193916599 201144657 /nfs/dbraw/zinc/14/46/57/201144657.db2.gz WCZOANXLGADUJX-UHFFFAOYSA-N 2 0 321.534 2.535 20 0 DFADRP COCC[C@H](Cc1cccc(F)c1)[NH2+]CC1=CC[N@H+](C)CC1 ZINC000271868054 209281423 /nfs/dbraw/zinc/28/14/23/209281423.db2.gz LVYNIURATXVZSA-GOSISDBHSA-N 2 0 306.425 2.625 20 0 DFADRP CC(C)[NH+]1CCC([NH2+]C2CCN(Cc3ccccn3)CC2)CC1 ZINC000162284299 398981672 /nfs/dbraw/zinc/98/16/72/398981672.db2.gz XHUZAKNXNIJCJN-UHFFFAOYSA-N 2 0 316.493 2.508 20 0 DFADRP Cc1cc([C@H](C)[NH2+][C@@H](CC(C)C)C(=O)NCC[NH+](C)C)c(C)o1 ZINC000447595259 297310030 /nfs/dbraw/zinc/31/00/30/297310030.db2.gz MGAVDKCUEWDFRC-YOEHRIQHSA-N 2 0 323.481 2.640 20 0 DFADRP C[C@H](O)C[NH+]1CCC(C[N@H+](C)Cc2sccc2Cl)CC1 ZINC000194385675 201214570 /nfs/dbraw/zinc/21/45/70/201214570.db2.gz SYBHVAHPOHLVAQ-LBPRGKRZSA-N 2 0 316.898 2.926 20 0 DFADRP CC(C)[NH2+]CCC(=O)Nc1ccc(CC[NH+]2CCCC2)cc1 ZINC000165922326 398992552 /nfs/dbraw/zinc/99/25/52/398992552.db2.gz VUWYZSOZZJTSMN-UHFFFAOYSA-N 2 0 303.450 2.652 20 0 DFADRP C[N@H+]1CC=C(C[NH2+]Cc2c(F)cccc2N2CCCC2)CC1 ZINC000271845469 209262439 /nfs/dbraw/zinc/26/24/39/209262439.db2.gz GUVBIUGSAOFUFI-UHFFFAOYSA-N 2 0 303.425 2.777 20 0 DFADRP COC(=O)C(C)(C)CC[NH2+]CC(C)(C)[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000474620036 299337806 /nfs/dbraw/zinc/33/78/06/299337806.db2.gz ZIZWRANIEZIFFN-GASCZTMLSA-N 2 0 312.498 2.922 20 0 DFADRP CC(C)[C@H]([NH3+])CCN(C)C(=O)C(C)(C)[C@H]([NH3+])c1ccccc1 ZINC000417812357 296053870 /nfs/dbraw/zinc/05/38/70/296053870.db2.gz LEIDLRJNJJYIBJ-HZPDHXFCSA-N 2 0 305.466 2.544 20 0 DFADRP CCCC[C@@H](C[NH3+])NC(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000417817129 296054374 /nfs/dbraw/zinc/05/43/74/296054374.db2.gz VLANMZARKRGJSP-INIZCTEOSA-N 2 0 324.513 2.600 20 0 DFADRP CC[NH2+]Cc1cccc(NC(=O)[C@@H]2C[C@H]3CCCC[C@H]3[NH2+]2)c1 ZINC000246948398 202631081 /nfs/dbraw/zinc/63/10/81/202631081.db2.gz MDROVCFAHYDYLO-OIISXLGYSA-N 2 0 301.434 2.655 20 0 DFADRP CC(C)[C@@H](C[NH2+]C[C@@H]1C[C@H]1c1ccccc1)N1CC[NH+](C)CC1 ZINC000417855143 296058234 /nfs/dbraw/zinc/05/82/34/296058234.db2.gz HYSOAOJUDVPXJL-SLFFLAALSA-N 2 0 315.505 2.652 20 0 DFADRP Oc1cccc(CNC2CC[NH+](C[C@@H]3CCOC3)CC2)c1Cl ZINC000292941041 223318132 /nfs/dbraw/zinc/31/81/32/223318132.db2.gz AEMXYGWZQLERON-ZDUSSCGKSA-N 2 0 324.852 2.636 20 0 DFADRP C[C@@H]1CC[C@H](C)[N@H+]1[C@H]1CCCN(C(=O)CC[C@H]2CCC[NH2+]C2)C1 ZINC000621659621 399012770 /nfs/dbraw/zinc/01/27/70/399012770.db2.gz NWVABMFTNVCVAD-XDNAFOTISA-N 2 0 321.509 2.630 20 0 DFADRP CCC(C)(C)[NH2+][C@@H](C)C(=O)N1CC[NH+](CC2CCCCC2)CC1 ZINC000475896134 299350468 /nfs/dbraw/zinc/35/04/68/299350468.db2.gz KPNABHYXBURUJG-INIZCTEOSA-N 2 0 323.525 2.878 20 0 DFADRP Cn1c2ccccc2nc1C[NH2+]CCCCC[NH+]1CCCC1 ZINC000292988744 223339739 /nfs/dbraw/zinc/33/97/39/223339739.db2.gz LXXDTNARPUKCFR-UHFFFAOYSA-N 2 0 300.450 2.929 20 0 DFADRP C[C@@H]1C[N@H+](CC[C@H]2CCC[NH+]2C)CC[C@H]1C(=O)OC(C)(C)C ZINC000599587175 399022735 /nfs/dbraw/zinc/02/27/35/399022735.db2.gz DMLGAPWUPMMBKG-BZUAXINKSA-N 2 0 310.482 2.770 20 0 DFADRP CC[NH+]1CCN([C@@H](C)C[NH2+][C@H](c2ccccc2)C2CC2)CC1 ZINC000091285553 193032046 /nfs/dbraw/zinc/03/20/46/193032046.db2.gz JBBPHTANJOCUPZ-QFBILLFUSA-N 2 0 301.478 2.753 20 0 DFADRP COc1ccc([C@H]([NH2+]C[C@H](C)N2CC[NH+](C)CC2)C(C)C)cc1 ZINC000091333361 193042079 /nfs/dbraw/zinc/04/20/79/193042079.db2.gz CTNHZKJWMPGMNJ-QFBILLFUSA-N 2 0 319.493 2.618 20 0 DFADRP OC[C@H]1CCC[N@@H+]1CCCC[NH2+][C@H](c1ccccc1)C1CC1 ZINC000091336546 193043812 /nfs/dbraw/zinc/04/38/12/193043812.db2.gz NNPYUYOJYWUYGZ-RTBURBONSA-N 2 0 302.462 2.964 20 0 DFADRP CC(C)[C@H]([NH2+]CCN1CCC([NH+](C)C)CC1)c1ccccc1 ZINC000091367529 193047186 /nfs/dbraw/zinc/04/71/86/193047186.db2.gz VBKJSFSQLMRREA-IBGZPJMESA-N 2 0 303.494 2.999 20 0 DFADRP CC(C)c1ccc([C@@H]([NH3+])CNC(=O)N[C@@H](C)CCCC[NH3+])cc1 ZINC000418352571 296087683 /nfs/dbraw/zinc/08/76/83/296087683.db2.gz MTCBLMBCRUICBX-YOEHRIQHSA-N 2 0 320.481 2.627 20 0 DFADRP c1ccc([C@H]2OCC[C@@H]2C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000477925142 299364267 /nfs/dbraw/zinc/36/42/67/299364267.db2.gz HWUKPECPGOSWPY-FCGDIQPGSA-N 2 0 300.446 2.981 20 0 DFADRP COC(=O)[C@H]1CN(CCC[NH+]2CCCCC2)Cc2ccccc21 ZINC000599665866 399051981 /nfs/dbraw/zinc/05/19/81/399051981.db2.gz JJALQJQREVJTAM-SFHVURJKSA-N 2 0 316.445 2.635 20 0 DFADRP c1ccc([C@H]2OCC[C@@H]2C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000477925141 299364638 /nfs/dbraw/zinc/36/46/38/299364638.db2.gz HWUKPECPGOSWPY-AKHDSKFASA-N 2 0 300.446 2.981 20 0 DFADRP CCCc1ccc(C[N@H+](C)CCCN2CC[NH+](C)CC2)s1 ZINC000621727613 399051099 /nfs/dbraw/zinc/05/10/99/399051099.db2.gz KMJOQEFTZGEGHL-UHFFFAOYSA-N 2 0 309.523 2.770 20 0 DFADRP CC(=O)N1CC[C@H]([NH2+]C[C@@H](C)C[NH+]2CCCC2)c2ccccc21 ZINC000621750399 399066462 /nfs/dbraw/zinc/06/64/62/399066462.db2.gz OMYAODAXMCLCGV-QAPCUYQASA-N 2 0 315.461 2.806 20 0 DFADRP CCO[C@@H]1CCC[NH+](CC(C)C[N@H+]2CCC[C@@H](OCC)C2)C1 ZINC000606439209 399070098 /nfs/dbraw/zinc/07/00/98/399070098.db2.gz KSJFKSGFYFBRSW-QZTJIDSGSA-N 2 0 312.498 2.624 20 0 DFADRP CCO[C@@H]1CCC[NH+](C[C@@H](C)C[N@H+]2CCC[C@H](OCC)C2)C1 ZINC000606439208 399070890 /nfs/dbraw/zinc/07/08/90/399070890.db2.gz KSJFKSGFYFBRSW-NNZMDNLPSA-N 2 0 312.498 2.624 20 0 DFADRP CC(=O)N1CC[C@H]([NH2+]Cc2ccc3c[nH+]cn3c2)c2ccccc21 ZINC000621763339 399071602 /nfs/dbraw/zinc/07/16/02/399071602.db2.gz WERNUTIQVULDDU-SFHVURJKSA-N 2 0 320.396 2.922 20 0 DFADRP CC(=O)N1CC[C@H]([NH2+]CC[C@H]2CCC[N@@H+](C)C2)c2ccccc21 ZINC000621763131 399072434 /nfs/dbraw/zinc/07/24/34/399072434.db2.gz RCPBCIRROHTVKG-AEFFLSMTSA-N 2 0 315.461 2.806 20 0 DFADRP CCOC1CC[NH+](CCCC[NH+]2CCC(OCC)CC2)CC1 ZINC000172651918 399086724 /nfs/dbraw/zinc/08/67/24/399086724.db2.gz XCRKECMEILZJIK-UHFFFAOYSA-N 2 0 312.498 2.768 20 0 DFADRP Cc1cc(N2C[C@H](C)[N@@H+](CCO)C[C@H]2C)c2cc(F)ccc2[nH+]1 ZINC000419005392 296123874 /nfs/dbraw/zinc/12/38/74/296123874.db2.gz PIKNTTXPRXGBKJ-UONOGXRCSA-N 2 0 317.408 2.574 20 0 DFADRP C[C@@H]([NH2+]C[C@@H](O)C[NH+]1CCCC1)C12CC3CC(CC(C3)C1)C2 ZINC000314743716 296127911 /nfs/dbraw/zinc/12/79/11/296127911.db2.gz SEFIUMJNBWZWFL-UXJMZZSFSA-N 2 0 306.494 2.638 20 0 DFADRP CC[C@H](C[NH+]1CCC[C@@H]([N@@H+](C)C[C@H](CC)OC)CC1)OC ZINC000419247565 296130025 /nfs/dbraw/zinc/13/00/25/296130025.db2.gz XFZGZFCMKDCAEY-IXDOHACOSA-N 2 0 300.487 2.623 20 0 DFADRP C[C@@H]([NH2+]C(C)(C)CNC(=O)[C@@H]1CCC[C@@H]1C[NH3+])c1ccccc1 ZINC000261679388 203091947 /nfs/dbraw/zinc/09/19/47/203091947.db2.gz GRFZGQZYYOCLSK-DJIMGWMZSA-N 2 0 317.477 2.607 20 0 DFADRP CCC[C@@](C)([NH3+])C(=O)NCc1ccc(C[NH+](CC)CC)cc1 ZINC000261977330 203165469 /nfs/dbraw/zinc/16/54/69/203165469.db2.gz QXUUAKQGTUXTIL-GOSISDBHSA-N 2 0 305.466 2.662 20 0 DFADRP C[C@H]([NH2+][C@@H]1C[C@@H](C)[N@H+](C)C[C@H]1C)c1ccc(NC(N)=O)cc1 ZINC000123049423 299398837 /nfs/dbraw/zinc/39/88/37/299398837.db2.gz KTWNSCDYSKBKOB-NFFDBFGFSA-N 2 0 304.438 2.557 20 0 DFADRP CCC[C@](C)([NH3+])C(=O)NCC[C@H](C)[N@H+](C)Cc1ccccc1 ZINC000262095442 203196996 /nfs/dbraw/zinc/19/69/96/203196996.db2.gz BNVRURBJTHKWQY-YJBOKZPZSA-N 2 0 305.466 2.531 20 0 DFADRP CCC[C@@](C)([NH3+])C(=O)NCC1CC[NH+](Cc2ccccc2)CC1 ZINC000262092635 203197103 /nfs/dbraw/zinc/19/71/03/203197103.db2.gz AVFWHTHIIORGCR-LJQANCHMSA-N 2 0 317.477 2.532 20 0 DFADRP Cc1[nH]nc2ncc(C[NH2+]CCCCC[NH+]3CCCC3)cc12 ZINC000339500052 284143484 /nfs/dbraw/zinc/14/34/84/284143484.db2.gz LUMNSLRHADMKBQ-UHFFFAOYSA-N 2 0 301.438 2.622 20 0 DFADRP CC[N@H+](Cc1ccc(C(=O)NCC[C@@H]2CC[NH2+]C2)cc1)C(C)C ZINC000262594590 203344973 /nfs/dbraw/zinc/34/49/73/203344973.db2.gz TYPHKKONFRUKRY-INIZCTEOSA-N 2 0 317.477 2.646 20 0 DFADRP CC[NH+]1CCN(CCC[NH2+]Cc2cc(F)cc(Cl)c2)CC1 ZINC000275014563 212073945 /nfs/dbraw/zinc/07/39/45/212073945.db2.gz RJWAXLIOAXKCRS-UHFFFAOYSA-N 2 0 313.848 2.596 20 0 DFADRP C[C@H](CNC(=O)[C@H](C)[C@H]([NH3+])c1ccccc1)[N@@H+]1CCC[C@@H](C)C1 ZINC000262672916 203374896 /nfs/dbraw/zinc/37/48/96/203374896.db2.gz PHZASWRAAFILFU-KONPQCLYSA-N 2 0 317.477 2.559 20 0 DFADRP C[C@@H]([NH2+]C1(CNC(=O)CCC[NH3+])CCCC1)c1ccccc1 ZINC000262659044 203369040 /nfs/dbraw/zinc/36/90/40/203369040.db2.gz FHXZGOGEVKLZKJ-OAHLLOKOSA-N 2 0 303.450 2.505 20 0 DFADRP CCC[C@@](C)([NH3+])C(=O)N(CC)Cc1ccc(C[NH+](C)C)cc1 ZINC000262700303 203385979 /nfs/dbraw/zinc/38/59/79/203385979.db2.gz HQIVPZZTRHDOMB-GOSISDBHSA-N 2 0 305.466 2.614 20 0 DFADRP COc1ccc(C[N@H+](C)CC(C)(C)C[NH3+])cc1Br ZINC000093873199 193321146 /nfs/dbraw/zinc/32/11/46/193321146.db2.gz SCFVIRSMLOWINR-UHFFFAOYSA-N 2 0 315.255 2.874 20 0 DFADRP COC(=O)c1ccc(C[NH+]2CCC([C@H]3CCC[NH2+]C3)CC2)s1 ZINC000595900878 399128069 /nfs/dbraw/zinc/12/80/69/399128069.db2.gz OLADFFJQJRVRSM-AWEZNQCLSA-N 2 0 322.474 2.746 20 0 DFADRP COc1ccc(Cl)cc1C[NH+]1CCC(OCCC[NH3+])CC1 ZINC000094072311 193343397 /nfs/dbraw/zinc/34/33/97/193343397.db2.gz CAEFRIMYFFMXJK-UHFFFAOYSA-N 2 0 312.841 2.678 20 0 DFADRP COC(=O)c1ccc(C[N@@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)s1 ZINC000595901645 399129125 /nfs/dbraw/zinc/12/91/25/399129125.db2.gz ZMKBMAMPHGTHMK-AWEZNQCLSA-N 2 0 322.474 2.746 20 0 DFADRP CSc1ccc([C@H](CN[C@H]2CC[N@H+](C)C[C@H]2C)[NH+](C)C)cc1 ZINC000340530690 284189359 /nfs/dbraw/zinc/18/93/59/284189359.db2.gz GDQIDPGKYVXMJO-JLSDUUJJSA-N 2 0 321.534 2.941 20 0 DFADRP CSC[C@](C)(O)C[NH2+][C@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000274964648 212046328 /nfs/dbraw/zinc/04/63/28/212046328.db2.gz XFKATDJSDFTTNO-BPQIPLTHSA-N 2 0 322.518 2.601 20 0 DFADRP CCC(C)(C)[NH2+][C@@H](C)C(=O)Nc1ccc(CC[NH+](C)C)cc1 ZINC000274915744 212031170 /nfs/dbraw/zinc/03/11/70/212031170.db2.gz YTOFVNQYOOEUGP-AWEZNQCLSA-N 2 0 305.466 2.896 20 0 DFADRP C[C@H](C[NH+]1CCCCCC1)NC(=O)C1(C[NH+](C)C)CCCCC1 ZINC000483966583 299415237 /nfs/dbraw/zinc/41/52/37/299415237.db2.gz WOOGVEHVCVVSBR-QGZVFWFLSA-N 2 0 323.525 2.879 20 0 DFADRP CCOc1cc2[nH+]ccc(N3CCC[NH2+]CC3)c2cc1OCC ZINC000420169238 296160145 /nfs/dbraw/zinc/16/01/45/296160145.db2.gz QGVKEFVBQIPVAB-UHFFFAOYSA-N 2 0 315.417 2.832 20 0 DFADRP CCOc1cc2[nH+]ccc(N[C@@H](C)CC[NH3+])c2cc1OCC ZINC000420225507 296163630 /nfs/dbraw/zinc/16/36/30/296163630.db2.gz JCYPGKWZPQMVFU-LBPRGKRZSA-N 2 0 303.406 2.603 20 0 DFADRP Cc1cccc(C[NH2+]CCN2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000060833571 399145096 /nfs/dbraw/zinc/14/50/96/399145096.db2.gz NZYJLSVWZDLHIM-UHFFFAOYSA-N 2 0 323.484 2.902 20 0 DFADRP C[NH+](C)CC1CC[NH+](CCCOCCc2ccccc2)CC1 ZINC000341191630 284246337 /nfs/dbraw/zinc/24/63/37/284246337.db2.gz QWLDVWMFBXTUJI-UHFFFAOYSA-N 2 0 304.478 2.909 20 0 DFADRP CCCc1cc(N2CCN([C@@H]3CC[NH2+]C3)CC2)c2ccccc2[nH+]1 ZINC000420253143 296165956 /nfs/dbraw/zinc/16/59/56/296165956.db2.gz DCSFQAVODDLPPU-QGZVFWFLSA-N 2 0 324.472 2.671 20 0 DFADRP [NH3+]CC1CC[NH+](Cc2cncc(OCc3ccccc3)c2)CC1 ZINC000420277296 296168355 /nfs/dbraw/zinc/16/83/55/296168355.db2.gz SVPGKWNCMHVFFY-UHFFFAOYSA-N 2 0 311.429 2.831 20 0 DFADRP C[C@@H]1CN(c2ccnc3ccc(Br)cc32)C[C@H]1[NH3+] ZINC000420285908 296169321 /nfs/dbraw/zinc/16/93/21/296169321.db2.gz VWPDXYUNXHVBAU-BXKDBHETSA-N 2 0 306.207 2.781 20 0 DFADRP CC(C)[C@@H]([NH3+])CCN(C)Cc1ccn(-c2c(F)cccc2F)n1 ZINC000420290356 296169851 /nfs/dbraw/zinc/16/98/51/296169851.db2.gz LWKPPGLDGZFAIW-INIZCTEOSA-N 2 0 322.403 2.956 20 0 DFADRP C[C@@H]1CN(Cc2ccn(-c3ccc(Cl)cc3)n2)CC[C@@H]1[NH3+] ZINC000420292330 296170073 /nfs/dbraw/zinc/17/00/73/296170073.db2.gz PGVQTRPKFIRRTK-WBMJQRKESA-N 2 0 304.825 2.695 20 0 DFADRP C[C@](C[NH3+])([NH2+]CCOc1cccc(Br)c1)C1CC1 ZINC000420293676 296170138 /nfs/dbraw/zinc/17/01/38/296170138.db2.gz ROSGPFKNZPKBOP-CQSZACIVSA-N 2 0 313.239 2.545 20 0 DFADRP c1cc2c(c([C@@H]3CCC[N@H+]3CC[C@@H]3CCC[NH2+]C3)c1)OCCO2 ZINC000420298211 296171280 /nfs/dbraw/zinc/17/12/80/296171280.db2.gz HAWZTTPVYWVLMS-RDJZCZTQSA-N 2 0 316.445 2.984 20 0 DFADRP CC(C)(C)OC(=O)[C@H](C[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1)C1CCC1 ZINC000596062549 399160136 /nfs/dbraw/zinc/16/01/36/399160136.db2.gz HVJBBKMWSGIMDP-IXDOHACOSA-N 2 0 322.493 2.961 20 0 DFADRP CC[C@H](c1ccccc1)[C@@H]1CCC[N@@H+]1CCN1CC[NH2+]CC1 ZINC000420297148 296170928 /nfs/dbraw/zinc/17/09/28/296170928.db2.gz FOSMVSBBYXMNCG-MOPGFXCFSA-N 2 0 301.478 2.550 20 0 DFADRP COC(=O)c1cc2cc(C[N@@H+]3CCC[C@H]([C@@H](C)[NH3+])C3)ccc2o1 ZINC000420297025 296171090 /nfs/dbraw/zinc/17/10/90/296171090.db2.gz YCPMFRGNESQNRX-OCCSQVGLSA-N 2 0 316.401 2.779 20 0 DFADRP CC(C)(C)OC(=O)[C@H](C[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1)C1CCC1 ZINC000596062547 399159933 /nfs/dbraw/zinc/15/99/33/399159933.db2.gz HVJBBKMWSGIMDP-GVDBMIGSSA-N 2 0 322.493 2.961 20 0 DFADRP Cc1cccc([C@@H]2CCCC[N@@H+]2CCN2CC[NH2+]CC2)c1C ZINC000420300824 296171689 /nfs/dbraw/zinc/17/16/89/296171689.db2.gz KRZRGGHOMMHMIN-IBGZPJMESA-N 2 0 301.478 2.736 20 0 DFADRP CC[N@H+](CC[C@H]1CCC[NH2+]C1)C[C@H]1COc2ccccc2O1 ZINC000420299021 296171376 /nfs/dbraw/zinc/17/13/76/296171376.db2.gz GBWKCWUKLNRBPB-CVEARBPZSA-N 2 0 304.434 2.538 20 0 DFADRP COc1ccc([C@H](C[NH3+])C[N@H+](C)Cc2ccccc2OC)cc1 ZINC000420298342 296171427 /nfs/dbraw/zinc/17/14/27/296171427.db2.gz DZNLZPDLJSDUAI-QGZVFWFLSA-N 2 0 314.429 2.878 20 0 DFADRP O=C(Nc1ccccc1)[C@@H]1CCC[N@H+](CC[C@H]2CCC[NH2+]C2)C1 ZINC000420303473 296172181 /nfs/dbraw/zinc/17/21/81/296172181.db2.gz KKDWCRAILGOYPE-IAGOWNOFSA-N 2 0 315.461 2.727 20 0 DFADRP COc1cccc(OCC[N@H+](CCC[NH3+])Cc2ccccc2)c1 ZINC000420310118 296172815 /nfs/dbraw/zinc/17/28/15/296172815.db2.gz MCMCEKOVMPRQSQ-UHFFFAOYSA-N 2 0 314.429 2.925 20 0 DFADRP CN(CC[C@@H]1CCC[NH2+]C1)Cc1nc(C(F)(F)F)cs1 ZINC000420310408 296172878 /nfs/dbraw/zinc/17/28/78/296172878.db2.gz UWYRAAWFHGKMBJ-JTQLQIEISA-N 2 0 307.385 2.983 20 0 DFADRP Cc1c(Br)cccc1CN1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000420309350 296172908 /nfs/dbraw/zinc/17/29/08/296172908.db2.gz FDTPUBSZULCPDH-HIFRSBDPSA-N 2 0 309.251 2.941 20 0 DFADRP [NH3+]CC[C@@H]1CCCCN1Cc1ccn(-c2c(F)cccc2F)n1 ZINC000420309763 296172955 /nfs/dbraw/zinc/17/29/55/296172955.db2.gz FMMLTVIWMAGOTB-AWEZNQCLSA-N 2 0 320.387 2.854 20 0 DFADRP Cc1ccc([C@@H]2[C@H](C)CCC[N@@H+]2CCN2CC[NH2+]CC2)cc1 ZINC000420306630 296172519 /nfs/dbraw/zinc/17/25/19/296172519.db2.gz QPKKMHCYSQXGLY-MJGOQNOKSA-N 2 0 301.478 2.673 20 0 DFADRP Brc1cccc2c1C[N@H+](CC[C@@H]1CC[NH2+]C1)CC2 ZINC000420306565 296172539 /nfs/dbraw/zinc/17/25/39/296172539.db2.gz QKZMYPQEAUNZHG-LBPRGKRZSA-N 2 0 309.251 2.807 20 0 DFADRP [NH3+]C[C@H](Cc1ccccc1)[C@@H]1CCCC[N@@H+]1CC[C@H]1CC[NH2+]C1 ZINC000420307894 296173054 /nfs/dbraw/zinc/17/30/54/296173054.db2.gz JCUHMGYBUGKNKU-AABGKKOBSA-N 3 0 315.505 2.658 20 0 DFADRP Fc1ccc(CN2CCC[N@H+](CC[C@@H]3CCC[NH2+]C3)CC2)cc1 ZINC000420311478 296173292 /nfs/dbraw/zinc/17/32/92/296173292.db2.gz VZQJIGAHZOUOCS-KRWDZBQOSA-N 2 0 319.468 2.723 20 0 DFADRP c1ccc(CCOC2CC[NH+](CC[C@H]3CC[NH2+]C3)CC2)cc1 ZINC000420318819 296174384 /nfs/dbraw/zinc/17/43/84/296174384.db2.gz OZPVFOQLERIYCT-GOSISDBHSA-N 2 0 302.462 2.710 20 0 DFADRP Cc1cccc(NC[C@@H]2CC[N@H+](CC[C@@H]3CCC[NH2+]C3)C2)n1 ZINC000420319800 296174444 /nfs/dbraw/zinc/17/44/44/296174444.db2.gz PMXNHXQHONXVKE-IRXDYDNUSA-N 2 0 302.466 2.514 20 0 DFADRP C[C@@H]1C[C@@H]([N@H+](C)CC[C@H]2CC[NH2+]C2)CCN1Cc1ccccc1 ZINC000420318836 296174610 /nfs/dbraw/zinc/17/46/10/296174610.db2.gz ORXXQSHYOMNUPG-GGPKGHCWSA-N 2 0 315.505 2.971 20 0 DFADRP COC(=O)c1cc2cc(C[N@@H+]3CCC[C@H](CC[NH3+])C3)ccc2o1 ZINC000420321137 296174977 /nfs/dbraw/zinc/17/49/77/296174977.db2.gz ZPOITBBSUABQAC-CYBMUJFWSA-N 2 0 316.401 2.780 20 0 DFADRP C(C[N@@H+]1CCCC[C@H]1c1nnc2n1CCCC2)[C@H]1CCC[NH2+]C1 ZINC000420325382 296175321 /nfs/dbraw/zinc/17/53/21/296175321.db2.gz WAFJNYAIXYAYCA-CVEARBPZSA-N 2 0 317.481 2.531 20 0 DFADRP [NH3+]C[C@@H]1C[N@@H+]([C@H]2CCCc3ccc(F)cc32)CC12CCOCC2 ZINC000420325547 296175539 /nfs/dbraw/zinc/17/55/39/296175539.db2.gz IUMXWAMXGCLNCQ-QAPCUYQASA-N 2 0 318.436 2.890 20 0 DFADRP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](CC[C@@H]2CCC[NH2+]C2)C1 ZINC000420325470 296175555 /nfs/dbraw/zinc/17/55/55/296175555.db2.gz WQAGGSSLNFOEDK-CEXWTWQISA-N 3 0 307.526 2.963 20 0 DFADRP CC[C@@H]([NH2+]CCCN1CCN(c2cc[nH+]cc2)CC1)C(C)C ZINC000341906927 284287475 /nfs/dbraw/zinc/28/74/75/284287475.db2.gz YOLYSGYQVQUKJK-GOSISDBHSA-N 2 0 304.482 2.618 20 0 DFADRP Cc1ccccc1CCC[N@@H+]1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000420335982 296177119 /nfs/dbraw/zinc/17/71/19/296177119.db2.gz VHZAFEIYOWYVKY-GOSISDBHSA-N 2 0 302.462 2.615 20 0 DFADRP Cc1[nH]c2ccccc2c1C(=O)C[NH+]1CCC2(CC[NH2+]C2)CC1 ZINC000420341028 296177874 /nfs/dbraw/zinc/17/78/74/296177874.db2.gz PRLQDTSWJFRBNZ-UHFFFAOYSA-N 2 0 311.429 2.735 20 0 DFADRP CCc1ccc(NC(=O)C[N@@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)cc1 ZINC000420343906 296177724 /nfs/dbraw/zinc/17/77/24/296177724.db2.gz RRIGSBAQUKIVKB-IAGOWNOFSA-N 2 0 315.461 2.509 20 0 DFADRP CCOc1ccc(OCC[N@@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)cc1 ZINC000420345001 296178232 /nfs/dbraw/zinc/17/82/32/296178232.db2.gz VNDLXYICJIOXAO-IRXDYDNUSA-N 2 0 318.461 2.786 20 0 DFADRP COC(=O)[C@H](C)C[N@H+](CCC1CC[NH2+]CC1)Cc1ccccc1 ZINC000420354826 296179065 /nfs/dbraw/zinc/17/90/65/296179065.db2.gz DNCUUCOIIJOGBP-MRXNPFEDSA-N 2 0 318.461 2.687 20 0 DFADRP COc1ccc([C@H](C[NH3+])C[N@H+](C)C[C@@H](C)c2nccs2)cc1 ZINC000420354744 296179291 /nfs/dbraw/zinc/17/92/91/296179291.db2.gz DFDRADMGTYDFBB-UKRRQHHQSA-N 2 0 319.474 2.930 20 0 DFADRP Clc1ccccc1CN1CC[NH+](CCC2CC[NH2+]CC2)CC1 ZINC000420360932 296180008 /nfs/dbraw/zinc/18/00/08/296180008.db2.gz MPGJGNXZWICPLZ-UHFFFAOYSA-N 2 0 321.896 2.847 20 0 DFADRP C[C@@H](CC(=O)OC(C)(C)C)[NH2+]C[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000596096638 399171594 /nfs/dbraw/zinc/17/15/94/399171594.db2.gz WCCFJGSUEMBKOG-GOEBONIOSA-N 2 0 310.482 2.818 20 0 DFADRP FC(F)(F)c1c[nH]c([C@@H]2CCC[N@H+](CC[C@@H]3CC[NH2+]C3)C2)n1 ZINC000420361871 296180087 /nfs/dbraw/zinc/18/00/87/296180087.db2.gz NREDVNGFPBMPLH-NWDGAFQWSA-N 2 0 316.371 2.608 20 0 DFADRP c1ccc(CC[C@@H]2C[N@H+](CC[C@H]3CCC[NH2+]C3)CCO2)cc1 ZINC000420364345 296180300 /nfs/dbraw/zinc/18/03/00/296180300.db2.gz QOIBFQRMLLSCBE-RTBURBONSA-N 2 0 302.462 2.710 20 0 DFADRP COc1ccc([C@H](C[NH3+])C[N@@H+]2CCC[C@@H]2c2ccncc2)cc1 ZINC000420363965 296180482 /nfs/dbraw/zinc/18/04/82/296180482.db2.gz QERZFBVMOPXTBX-IEBWSBKVSA-N 2 0 311.429 2.970 20 0 DFADRP CC[NH+](CC)Cc1ccc(C(=O)N(C)[C@H]2CC[N@H+](C)[C@@H](C)C2)o1 ZINC000607523115 399172439 /nfs/dbraw/zinc/17/24/39/399172439.db2.gz SMWFTZMYWWZHKQ-GJZGRUSLSA-N 2 0 321.465 2.676 20 0 DFADRP COC(=O)[C@H](C)[C@@H]([NH2+]CC[C@@H]1CCC[NH2+]C1)c1ccccc1 ZINC000420373186 296182367 /nfs/dbraw/zinc/18/23/67/296182367.db2.gz MEFJGYVQBSMOMV-HLLBOEOZSA-N 2 0 304.434 2.516 20 0 DFADRP [NH3+]Cc1cn([C@H]2CCC[N@H+](Cc3cccc(C(F)F)c3)C2)nn1 ZINC000420373754 296182371 /nfs/dbraw/zinc/18/23/71/296182371.db2.gz GOTLNRGQXHQCCC-HNNXBMFYSA-N 2 0 321.375 2.512 20 0 DFADRP Cc1cc(C)n(-c2ccc(C[NH2+][C@@H]3CC[NH2+]CC3(C)C)cc2)n1 ZINC000420373547 296182452 /nfs/dbraw/zinc/18/24/52/296182452.db2.gz ZMMBTXGOKMAJJY-GOSISDBHSA-N 2 0 312.461 2.967 20 0 DFADRP COC(=O)[C@H](C)[C@H]([NH2+]CCC1CC[NH2+]CC1)c1ccccc1 ZINC000420375081 296182472 /nfs/dbraw/zinc/18/24/72/296182472.db2.gz OZIXHPWHBOOEGC-PBHICJAKSA-N 2 0 304.434 2.516 20 0 DFADRP CC[C@@H](c1ccccc1)[N@H+](CC[C@@H]1CC[NH2+]C1)CC(=O)OC ZINC000420373635 296182475 /nfs/dbraw/zinc/18/24/75/296182475.db2.gz MRNPNOVKLUAINW-RDJZCZTQSA-N 2 0 304.434 2.612 20 0 DFADRP FC(F)(F)c1ccn([C@@H]2CCC[N@H+](CC[C@@H]3CC[NH2+]C3)C2)n1 ZINC000420374494 296182185 /nfs/dbraw/zinc/18/21/85/296182185.db2.gz NTSQYBYYYFFJBF-QWHCGFSZSA-N 2 0 316.371 2.538 20 0 DFADRP [NH3+][C@H]1CCO[C@H](C2CC[NH+](CCOC3CCCCCC3)CC2)C1 ZINC000420384760 296184106 /nfs/dbraw/zinc/18/41/06/296184106.db2.gz GTORBBFFKCETRK-HKUYNNGSSA-N 2 0 324.509 2.944 20 0 DFADRP C[NH2+]CCCN1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000420382796 296184170 /nfs/dbraw/zinc/18/41/70/296184170.db2.gz YRHMGLPEKDQJKR-MOPGFXCFSA-N 2 0 301.478 2.582 20 0 DFADRP [NH3+][C@@H]1CCCO[C@@H]1C1CC[NH+](CCCc2ccccc2)CC1 ZINC000420388192 296184661 /nfs/dbraw/zinc/18/46/61/296184661.db2.gz WYKLTDKPCDSXKH-RTBURBONSA-N 2 0 302.462 2.838 20 0 DFADRP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](CC(=O)NCCCC3CCCCC3)C[C@@H]21 ZINC000342088555 284323710 /nfs/dbraw/zinc/32/37/10/284323710.db2.gz RFISHTQDZNOXTJ-FGTMMUONSA-N 2 0 321.509 2.522 20 0 DFADRP CCc1ccccc1C[NH+]1CCC([C@@H]2C[C@H]([NH3+])CCO2)CC1 ZINC000420396014 296185704 /nfs/dbraw/zinc/18/57/04/296185704.db2.gz VAWSHTIIZBLKNP-MOPGFXCFSA-N 2 0 302.462 2.967 20 0 DFADRP CC(C)[C@H]1CCCC[C@@H]1[NH2+]C[C@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC000420399728 296186059 /nfs/dbraw/zinc/18/60/59/296186059.db2.gz IAERWWGBGVBRGZ-XWSJACJDSA-N 2 0 304.478 2.722 20 0 DFADRP COc1ccc([C@H](C[NH3+])C[NH2+][C@H]2CCCO[C@@H]2CC(C)C)cc1 ZINC000420404624 296186924 /nfs/dbraw/zinc/18/69/24/296186924.db2.gz MKPOGJDPGKWXJH-NZSAHSFTSA-N 2 0 320.477 2.921 20 0 DFADRP CC(C)(C)c1cccc(OCCC[NH+]2CCC(O)(C[NH3+])CC2)c1 ZINC000420403082 296186622 /nfs/dbraw/zinc/18/66/22/296186622.db2.gz KFKJTRURBUYASG-UHFFFAOYSA-N 2 0 320.477 2.539 20 0 DFADRP c1cc2c(cc1[C@@H]([NH2+]CC[C@@H]1CCC[NH2+]C1)C1CC1)OCCO2 ZINC000420415197 296187738 /nfs/dbraw/zinc/18/77/38/296187738.db2.gz UWEDUDXYAIVDJR-LIRRHRJNSA-N 2 0 316.445 2.888 20 0 DFADRP C[C@@H](Cc1cccc(Cl)c1)[NH2+]CCN1CC[N@H+](C)C(C)(C)C1 ZINC000282788102 217250981 /nfs/dbraw/zinc/25/09/81/217250981.db2.gz YIOPOVQBXNNQSB-HNNXBMFYSA-N 2 0 323.912 2.887 20 0 DFADRP Cc1cc(N2CC[C@H](C[NH+]3CCOCC3)C2)c2ccccc2[nH+]1 ZINC000266285327 205238745 /nfs/dbraw/zinc/23/87/45/205238745.db2.gz VGBWIFJJRRSMGR-MRXNPFEDSA-N 2 0 311.429 2.702 20 0 DFADRP CC[C@@H]1C[N@H+](C)CCCN1C(=O)C[C@H](c1ccccc1)[NH+](C)C ZINC000614342011 399214358 /nfs/dbraw/zinc/21/43/58/399214358.db2.gz MAJRJCKNAUTOPY-QZTJIDSGSA-N 2 0 317.477 2.622 20 0 DFADRP C[C@@H](O)[C@@](C)(C[NH2+][C@@H]1C[C@@H](C)[N@H+](C)C[C@H]1C)Cc1ccccc1 ZINC000188920770 296201802 /nfs/dbraw/zinc/20/18/02/296201802.db2.gz XTOPDHHJAMXUAF-UNNPPQAFSA-N 2 0 318.505 2.935 20 0 DFADRP C[NH+]1CCC(Oc2ccc(C[NH2+][C@@H]3CCCOCC3)cc2)CC1 ZINC000342810760 284420678 /nfs/dbraw/zinc/42/06/78/284420678.db2.gz BUJCEUBAPWNIOA-QGZVFWFLSA-N 2 0 318.461 2.818 20 0 DFADRP O=C(C[N@H+](C1CC1)C1CCCCC1)NC1CC[NH+](C2CC2)CC1 ZINC000064508446 399227307 /nfs/dbraw/zinc/22/73/07/399227307.db2.gz XIEYASCXAWURJV-UHFFFAOYSA-N 2 0 319.493 2.527 20 0 DFADRP C[N@@H+](Cc1ccccc1)CC1CC[NH+](CCC(C)(C)O)CC1 ZINC000267482203 206097947 /nfs/dbraw/zinc/09/79/47/206097947.db2.gz XWWBINFNWIKYAU-UHFFFAOYSA-N 2 0 304.478 2.991 20 0 DFADRP CC(C)[N@H+](C)CC(=O)N1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC000622662540 399266441 /nfs/dbraw/zinc/26/64/41/399266441.db2.gz MESAFDYZTFUPCQ-UHFFFAOYSA-N 2 0 311.514 2.686 20 0 DFADRP CCOC(=O)C1(C)CC([NH2+]C2CC[NH+](C3CCCC3)CC2)C1 ZINC000601266634 399266546 /nfs/dbraw/zinc/26/65/46/399266546.db2.gz PIWFDODNGHUBDV-UHFFFAOYSA-N 2 0 308.466 2.715 20 0 DFADRP CO[C@]1(C)C[C@@H]([NH2+]Cc2ccc(OCC[NH+](C)C)cc2)C1(C)C ZINC000608579145 399276286 /nfs/dbraw/zinc/27/62/86/399276286.db2.gz CCWSLEARRKMBNJ-IEBWSBKVSA-N 2 0 320.477 2.920 20 0 DFADRP CCOC(=O)[C@@H]1CC[C@@H]([NH2+]C2CCC([NH+](C)C)CC2)C[C@@H]1C ZINC000421372048 296250066 /nfs/dbraw/zinc/25/00/66/296250066.db2.gz LUCOFEOAFDHYNU-AMPGOEKISA-N 2 0 310.482 2.817 20 0 DFADRP CCOC(=O)CCC1CC[NH+](CCC[NH+]2CCCCC2)CC1 ZINC000614911501 399280458 /nfs/dbraw/zinc/28/04/58/399280458.db2.gz PYMLZQKEJZGJRD-UHFFFAOYSA-N 2 0 310.482 2.918 20 0 DFADRP C[C@@H](CC(=O)Nc1ccccc1)[NH2+]C1CCC([NH+](C)C)CC1 ZINC000421378690 296250684 /nfs/dbraw/zinc/25/06/84/296250684.db2.gz VUHVYVIDYQSKSL-OOHWJJMZSA-N 2 0 303.450 2.866 20 0 DFADRP CC(C)[C@@H](C[NH2+]Cc1ccccc1Cl)N1CC[NH+](C)CC1 ZINC000040435533 183066591 /nfs/dbraw/zinc/06/65/91/183066591.db2.gz UGMKPUOYTLZSLR-QGZVFWFLSA-N 2 0 309.885 2.702 20 0 DFADRP CC[C@@H](C(=O)NC[C@@H](C1CCCCC1)[NH+](C)C)[NH+](CC)CC ZINC000344648564 284665967 /nfs/dbraw/zinc/66/59/67/284665967.db2.gz DGJSZNMGKXTANU-IRXDYDNUSA-N 2 0 311.514 2.734 20 0 DFADRP Cn1cncc1CC[NH2+]CC(C)(C)C[N@H+](C)Cc1ccccc1 ZINC000623086447 399323988 /nfs/dbraw/zinc/32/39/88/399323988.db2.gz RSSNACLPSZUTGW-UHFFFAOYSA-N 3 0 314.477 2.710 20 0 DFADRP C[NH2+]CC1CC[NH+](Cc2sccc2Br)CC1 ZINC000051756273 425883410 /nfs/dbraw/zinc/88/34/10/425883410.db2.gz NQXKMBOLXXQQOI-UHFFFAOYSA-N 2 0 303.269 2.942 20 0 DFADRP CCC[C@H](C(=O)OCC)[N@@H+]1CC[C@@H](CNc2cc(C)cc[nH+]2)C1 ZINC000609635921 399327927 /nfs/dbraw/zinc/32/79/27/399327927.db2.gz XLNMMHPSZVAIPE-JKSUJKDBSA-N 2 0 319.449 2.856 20 0 DFADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2cc(C)nc(C)c2)[C@H](C)C1 ZINC000421879454 296278558 /nfs/dbraw/zinc/27/85/58/296278558.db2.gz NEWDAWXDVLQENE-BEFAXECRSA-N 2 0 319.493 2.925 20 0 DFADRP CON1CCC([NH2+][C@@H](C)c2ccc(-n3ccnc3)cc2)CC1 ZINC000421877537 296278461 /nfs/dbraw/zinc/27/84/61/296278461.db2.gz LXJVBWPYPSSKPH-AWEZNQCLSA-N 2 0 300.406 2.549 20 0 DFADRP C[C@@H]1CCC[C@@H](NC(=O)C[NH+]2CCC(CC[NH+](C)C)CC2)[C@H]1C ZINC000615464269 399340759 /nfs/dbraw/zinc/34/07/59/399340759.db2.gz UXEQAVHGJHDMIN-SOLBZPMBSA-N 2 0 323.525 2.591 20 0 DFADRP Cc1cc(CNC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)cc(C)n1 ZINC000421920597 296281642 /nfs/dbraw/zinc/28/16/42/296281642.db2.gz NYOHPZZJIJHJDN-KRWDZBQOSA-N 2 0 315.461 2.969 20 0 DFADRP CC[NH+](CC)[C@H](C(=O)NC[C@@H](C1CC1)[NH+](C)C)c1ccccc1 ZINC000104856599 194047835 /nfs/dbraw/zinc/04/78/35/194047835.db2.gz BLAWEMSUNXLKAY-ROUUACIJSA-N 2 0 317.477 2.526 20 0 DFADRP C[NH+]1CCN(CC[C@H]2CCCC[N@H+]2C)C[C@@H]1Cc1ccccc1 ZINC000284681267 218131760 /nfs/dbraw/zinc/13/17/60/218131760.db2.gz GXXGDZLXLUWOQN-UXHICEINSA-N 2 0 315.505 2.720 20 0 DFADRP C[C@H](O)C[NH+]1CCC(C[N@H+](C)Cc2ccccc2Cl)CC1 ZINC000106126864 194186966 /nfs/dbraw/zinc/18/69/66/194186966.db2.gz NMXSUTWUQSGDJP-AWEZNQCLSA-N 2 0 310.869 2.865 20 0 DFADRP Cc1ccc(C[NH+]2CCC(C[NH2+]Cc3cncn3C)CC2)cc1 ZINC000106486896 194218967 /nfs/dbraw/zinc/21/89/67/194218967.db2.gz SUYRMSHPCUOPHD-UHFFFAOYSA-N 2 0 312.461 2.730 20 0 DFADRP COC(=O)c1csc([C@@H](C)[NH2+][C@@H]2CC[NH2+]CC(C)(C)C2)c1 ZINC000602020555 399386272 /nfs/dbraw/zinc/38/62/72/399386272.db2.gz MHCYDIQXAFIECE-DGCLKSJQSA-N 2 0 310.463 2.964 20 0 DFADRP COC(=O)C[C@@H]1CC[C@H]([NH2+]CC[C@@H]([NH3+])Cc2ccccc2)[C@@H]1C ZINC000602024059 399386885 /nfs/dbraw/zinc/38/68/85/399386885.db2.gz ZOXRSODMAORCMU-SPUZQDLCSA-N 2 0 318.461 2.514 20 0 DFADRP C[C@H]1C[NH+](CCCC[NH2+]Cc2cccc3n[nH]cc32)C[C@H](C)O1 ZINC000623425313 399386902 /nfs/dbraw/zinc/38/69/02/399386902.db2.gz XWIIMHAJRQTTEE-GJZGRUSLSA-N 2 0 316.449 2.542 20 0 DFADRP COc1cccc(O[C@@H](C)C[NH2+][C@@H]2CC[N@H+](C)C(C)(C)C2)c1 ZINC000623432148 399388278 /nfs/dbraw/zinc/38/82/78/399388278.db2.gz GIRLRNJVUNTHNT-LSDHHAIUSA-N 2 0 306.450 2.925 20 0 DFADRP COc1ccc(O[C@@H](C)C[NH2+][C@@H]2CC[N@H+](C)C(C)(C)C2)cc1 ZINC000623432835 399388868 /nfs/dbraw/zinc/38/88/68/399388868.db2.gz LTFDXXHOHJRENE-LSDHHAIUSA-N 2 0 306.450 2.925 20 0 DFADRP C[N@H+](CCC(=O)OCc1ccccc1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000285365505 218399058 /nfs/dbraw/zinc/39/90/58/218399058.db2.gz BVAAZEJHPCVSQH-JWTNVVGKSA-N 2 0 316.445 2.677 20 0 DFADRP Cc1cccn2cc(CC[NH2+][C@@H]3CC[N@@H+](C)C(C)(C)C3)nc12 ZINC000623438320 399389327 /nfs/dbraw/zinc/38/93/27/399389327.db2.gz VOQIOFQJRPPUSQ-OAHLLOKOSA-N 2 0 300.450 2.648 20 0 DFADRP COCC[N@H+](C)CCC[NH2+][C@@H]1CCCc2ccc(OC)cc21 ZINC000268837109 207002824 /nfs/dbraw/zinc/00/28/24/207002824.db2.gz SJJBWELDOSJWLU-GOSISDBHSA-N 2 0 306.450 2.631 20 0 DFADRP CCOc1cc(C[N@@H+]2C[C@H](C[NH3+])[C@@H](C)C[C@@H]2C)ccc1OC ZINC000422559458 296312410 /nfs/dbraw/zinc/31/24/10/296312410.db2.gz DBWFFTIUZRXCDG-DZKIICNBSA-N 2 0 306.450 2.899 20 0 DFADRP C[C@@H]1C[C@@H](C)[N@H+](Cc2cc(-n3ccnc3)cs2)C[C@H]1C[NH3+] ZINC000422562483 296312905 /nfs/dbraw/zinc/31/29/05/296312905.db2.gz QLAICCJLMLRNBH-MGPQQGTHSA-N 2 0 304.463 2.739 20 0 DFADRP CNC(=O)C[C@@H](C)[NH2+]Cc1ccccc1C[NH+]1CCCCCC1 ZINC000268851370 207018134 /nfs/dbraw/zinc/01/81/34/207018134.db2.gz CXCBJBUWGJRZAH-MRXNPFEDSA-N 2 0 317.477 2.677 20 0 DFADRP C[C@H]([NH2+][C@@H](C)[C@H]1CCOC1)c1cccc(OCC[NH+](C)C)c1 ZINC000268862328 207031984 /nfs/dbraw/zinc/03/19/84/207031984.db2.gz FLFUZMHOKSKVDT-ZOBUZTSGSA-N 2 0 306.450 2.703 20 0 DFADRP CCC[N@@H+]1CC[C@H](NC(=O)c2ccc(C[NH+](CC)CC)cc2)C1 ZINC000619895432 399401171 /nfs/dbraw/zinc/40/11/71/399401171.db2.gz LAQGXYWBFGPXEB-SFHVURJKSA-N 2 0 317.477 2.743 20 0 DFADRP C[NH+](C)CCCC[NH2+][C@H](c1ccc(F)cc1)c1cnccn1 ZINC000346450373 284861394 /nfs/dbraw/zinc/86/13/94/284861394.db2.gz VNGIFGAYXYEOFU-QGZVFWFLSA-N 2 0 302.397 2.637 20 0 DFADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]C1CCN(Cc2ccc(F)cc2)CC1 ZINC000422700492 296318384 /nfs/dbraw/zinc/31/83/84/296318384.db2.gz CAVIFFBWVHRCNF-BEFAXECRSA-N 2 0 319.468 2.768 20 0 DFADRP C[N@@H+]1CC[C@H]([NH2+]C[C@]2(O)CCC[C@H](C(F)(F)F)C2)CC1(C)C ZINC000623502774 399403433 /nfs/dbraw/zinc/40/34/33/399403433.db2.gz ZZOACDWHTDFWTI-YDHLFZDLSA-N 2 0 322.415 2.932 20 0 DFADRP c1cc2c(cc1C[NH2+][C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1)OCCCO2 ZINC000422702918 296318421 /nfs/dbraw/zinc/31/84/21/296318421.db2.gz LSQVAXNEYGQMQJ-GVDBMIGSSA-N 2 0 316.445 2.858 20 0 DFADRP C[C@H](NCC(C)(C)[N@@H+]1CCc2ccccc2C1)[C@@H]1CCC[NH2+]1 ZINC000422699053 296318213 /nfs/dbraw/zinc/31/82/13/296318213.db2.gz CHOCCBAGXKSAIT-YJBOKZPZSA-N 2 0 301.478 2.553 20 0 DFADRP C[C@H]([NH3+])[C@H]1COCC[C@H]1[NH2+]Cc1ccccc1OC1CCCC1 ZINC000422697651 296318300 /nfs/dbraw/zinc/31/83/00/296318300.db2.gz VMKDETCGOPHJMH-BMGDILEWSA-N 2 0 318.461 2.850 20 0 DFADRP c1cc2c(cc1C[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1)OCCCO2 ZINC000422702920 296318578 /nfs/dbraw/zinc/31/85/78/296318578.db2.gz LSQVAXNEYGQMQJ-YESZJQIVSA-N 2 0 316.445 2.858 20 0 DFADRP COc1ccccc1[C@@H](CNC1CC[NH2+]CC1)[NH+]1CCCCC1 ZINC000422706803 296319539 /nfs/dbraw/zinc/31/95/39/296319539.db2.gz FZPWKLKIIPQXRO-GOSISDBHSA-N 2 0 317.477 2.564 20 0 DFADRP C[C@@H](CCCC[NH3+])[NH2+][C@@H](C)c1cccc(N2CCCC2=O)c1 ZINC000422709071 296319243 /nfs/dbraw/zinc/31/92/43/296319243.db2.gz YPNVVKDRNXTAHP-GJZGRUSLSA-N 2 0 303.450 2.982 20 0 DFADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]C[C@H](C)N1CCc2ccccc21 ZINC000422710230 296319736 /nfs/dbraw/zinc/31/97/36/296319736.db2.gz FJLXTPPUFHWKJJ-LSDHHAIUSA-N 2 0 324.472 2.951 20 0 DFADRP c1ccc([C@H]2C[C@H](NC3CC[NH+](CC4CC4)CC3)CC[NH2+]2)cc1 ZINC000422710608 296319752 /nfs/dbraw/zinc/31/97/52/296319752.db2.gz FDHBNONWWAPFOQ-WOJBJXKFSA-N 2 0 313.489 2.944 20 0 DFADRP [NH3+]C[C@@H]1CCC[C@H]1[NH2+]Cc1cccc(COC2CCOCC2)c1 ZINC000422713432 296320056 /nfs/dbraw/zinc/32/00/56/296320056.db2.gz PRCZYXUZNLTZDV-PKOBYXMFSA-N 2 0 318.461 2.599 20 0 DFADRP Cc1cc(C)cc(C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)c1 ZINC000057157328 184028973 /nfs/dbraw/zinc/02/89/73/184028973.db2.gz PLLMLKOMPQBFAT-UHFFFAOYSA-N 2 0 319.493 2.649 20 0 DFADRP C[N@@H+]1CC[C@H]([NH2+][C@H]2CCO[C@@H](c3cccnc3)C2)CC1(C)C ZINC000623540394 399411587 /nfs/dbraw/zinc/41/15/87/399411587.db2.gz XREMSELVWJTDFR-YESZJQIVSA-N 2 0 303.450 2.764 20 0 DFADRP C[C@H](CCCC[NH3+])[NH2+]C1CCN(Cc2ccc(F)cc2)CC1 ZINC000422722584 296321876 /nfs/dbraw/zinc/32/18/76/296321876.db2.gz PGWLDGOUJORUCG-OAHLLOKOSA-N 2 0 307.457 2.897 20 0 DFADRP OC[C@@H]1CCC[N@@H+]1CCCC[NH2+][C@H]1CCCOc2ccccc21 ZINC000268966874 207130495 /nfs/dbraw/zinc/13/04/95/207130495.db2.gz YPNUNSOHHXCEJZ-WMZOPIPTSA-N 2 0 318.461 2.727 20 0 DFADRP C[C@H](C[NH2+][C@@H]1CCCCC[C@@H]1[NH3+])N1CCc2ccccc2C1 ZINC000422720762 296321310 /nfs/dbraw/zinc/32/13/10/296321310.db2.gz TWCKNILJWJPIRK-AYOQOUSVSA-N 2 0 301.478 2.683 20 0 DFADRP Cc1cc(C[NH2+]CC2CC[NH+](Cc3ccncc3)CC2)ccn1 ZINC000623563831 399417260 /nfs/dbraw/zinc/41/72/60/399417260.db2.gz LHOQBWMZBCKIKU-UHFFFAOYSA-N 2 0 310.445 2.787 20 0 DFADRP C[C@@H](N[C@H](C[N@@H+]1CCc2ccccc2C1)C(C)(C)C)C1C[NH2+]C1 ZINC000422725375 296322144 /nfs/dbraw/zinc/32/21/44/296322144.db2.gz BFEBMHKJFMPCRT-DNVCBOLYSA-N 2 0 315.505 2.657 20 0 DFADRP C[C@@H](NC[C@H](c1ccccc1)[NH+]1CCC(C)CC1)C1C[NH2+]C1 ZINC000422730429 296322836 /nfs/dbraw/zinc/32/28/36/296322836.db2.gz DXSASQVKVVUYLZ-VQIMIIECSA-N 2 0 301.478 2.657 20 0 DFADRP CCOC(=O)C1([C@H](C)[NH2+][C@@H]2CCC[C@@H](C)[C@H]2C)CC[NH2+]CC1 ZINC000422728315 296322868 /nfs/dbraw/zinc/32/28/68/296322868.db2.gz JBKNEOOYVQGEMV-LVQVYYBASA-N 2 0 310.482 2.722 20 0 DFADRP CC[NH+](CC)[C@H](CNC1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccccc1 ZINC000422729063 296322901 /nfs/dbraw/zinc/32/29/01/296322901.db2.gz HIQMYKBDGKTKEI-ZZJWQFMZSA-N 2 0 301.478 2.942 20 0 DFADRP CCc1ccc([C@H](CNC2C[C@H]3CC[C@@H](C2)[NH2+]3)[NH+](C)C)cc1 ZINC000422726766 296322419 /nfs/dbraw/zinc/32/24/19/296322419.db2.gz AMDHERKWIAHITF-SWDXFRIISA-N 2 0 301.478 2.724 20 0 DFADRP CN(C)[C@H](C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1)c1cccc(F)c1 ZINC000422727817 296322443 /nfs/dbraw/zinc/32/24/43/296322443.db2.gz HZBSUTNMYXAPQI-FCGDIQPGSA-N 2 0 319.468 2.939 20 0 DFADRP C[C@@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]CCc1ccc2c(c1)CCO2 ZINC000422731883 296323139 /nfs/dbraw/zinc/32/31/39/296323139.db2.gz OFJQXSVEZGQDKQ-DNVCBOLYSA-N 2 0 310.441 2.712 20 0 DFADRP CCc1ccc([C@@H](C[NH2+]C2CCC(C[NH3+])CC2)N(C)C)cc1 ZINC000422734554 296323347 /nfs/dbraw/zinc/32/33/47/296323347.db2.gz SNZRCKNAPRWOOK-NKELODKYSA-N 2 0 303.494 2.959 20 0 DFADRP C[C@@H]1C[C@H](NC[C@H]2CCCC[NH+](C)C2)C[N@@H+]1Cc1ccccc1 ZINC000623656057 399436989 /nfs/dbraw/zinc/43/69/89/399436989.db2.gz MABHPTUPLOMNQI-RLLQIKCJSA-N 2 0 315.505 2.971 20 0 DFADRP C[C@H]([NH2+][C@@H]1CCCC[C@H]1CO)c1cccc(OCC[NH+](C)C)c1 ZINC000269048581 207199133 /nfs/dbraw/zinc/19/91/33/207199133.db2.gz WZZZZGYVGIAZLK-VDZJLULYSA-N 2 0 320.477 2.829 20 0 DFADRP COCCOc1cccc(C[NH2+]C[C@@H]2CCCC[N@H+](C)C2)c1 ZINC000623656321 399437392 /nfs/dbraw/zinc/43/73/92/399437392.db2.gz RZDHWLJQLZUQII-KRWDZBQOSA-N 2 0 306.450 2.533 20 0 DFADRP C[C@H]([NH2+]CCCC[NH+](C)C)c1cccc(N2CCOC2=O)c1 ZINC000269056325 207204388 /nfs/dbraw/zinc/20/43/88/207204388.db2.gz WYIICWQTCMOPRP-AWEZNQCLSA-N 2 0 305.422 2.636 20 0 DFADRP C[C@@H](CC[NH+](C)C)[NH2+][C@@H](C)c1ccc(N2CCCC2=O)cc1 ZINC000269054855 207205268 /nfs/dbraw/zinc/20/52/68/207205268.db2.gz WNZHQKVBVLUPJQ-GJZGRUSLSA-N 2 0 303.450 2.804 20 0 DFADRP CCOC(=O)c1ccc(C[NH+]2CCC(C[N@H+](C)C(C)C)CC2)[nH]1 ZINC000602451087 399447503 /nfs/dbraw/zinc/44/75/03/399447503.db2.gz ZUJQRLQMVLGAJF-UHFFFAOYSA-N 2 0 321.465 2.744 20 0 DFADRP COC(=O)c1cc(CN2CCC[C@H]([NH+]3CCCC3)CC2)[nH]c1C ZINC000602478022 399456503 /nfs/dbraw/zinc/45/65/03/399456503.db2.gz NIOXLMAOBWWUGR-INIZCTEOSA-N 2 0 319.449 2.560 20 0 DFADRP Cc1ccc(C[N@H+]2CC[C@@H](N3CC[NH+](C(C)C)CC3)C2)c(F)c1 ZINC000602481593 399458426 /nfs/dbraw/zinc/45/84/26/399458426.db2.gz HBMNZADRCWJYOW-GOSISDBHSA-N 2 0 319.468 2.734 20 0 DFADRP CCC[N@H+](CC)Cc1ccc(C(=O)N2CC[C@H]([NH3+])[C@@H](C)C2)cc1 ZINC000269200964 207320798 /nfs/dbraw/zinc/32/07/98/207320798.db2.gz KHDVLBGPFOCAEZ-YJBOKZPZSA-N 2 0 317.477 2.728 20 0 DFADRP Cc1ncsc1C[NH2+][C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422742089 296324482 /nfs/dbraw/zinc/32/44/82/296324482.db2.gz PJFVMNUHBRZYNT-YOEHRIQHSA-N 2 0 315.442 2.797 20 0 DFADRP c1ccc2c(c1)CCC[C@@H]2[NH2+][C@@H]1CCOC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000422736459 296323623 /nfs/dbraw/zinc/32/36/23/296323623.db2.gz YBRKXKLAAHMXRA-YDZRNGNQSA-N 2 0 300.446 2.811 20 0 DFADRP [NH3+][C@@H]1CCCCC[C@@H]1NC[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000422738252 296324081 /nfs/dbraw/zinc/32/40/81/296324081.db2.gz JHQXRVVPMJVKCY-OTWHNJEPSA-N 2 0 301.478 2.901 20 0 DFADRP CC1CC[NH+]([C@H](CN[C@H]2CCC[C@H]2[NH3+])c2cccs2)CC1 ZINC000422743373 296325014 /nfs/dbraw/zinc/32/50/14/296325014.db2.gz IJOFUHQWEGIMJH-OWCLPIDISA-N 2 0 307.507 2.991 20 0 DFADRP C[NH+](C)CCc1ccc(NC(=O)[C@@H]2C[C@H]3CCCC[C@@H]3[NH2+]2)cc1 ZINC000269226815 207348544 /nfs/dbraw/zinc/34/85/44/207348544.db2.gz APPZILCURVXPAO-NJAFHUGGSA-N 2 0 315.461 2.650 20 0 DFADRP C[C@H](NC1CC[NH+]([C@@H](C)c2ccccc2)CC1)[C@H]1CC[NH2+]C1 ZINC000422748213 296325800 /nfs/dbraw/zinc/32/58/00/296325800.db2.gz SMYCUJVTCAWIBB-BQFCYCMXSA-N 2 0 301.478 2.800 20 0 DFADRP CC[N@@H+]1CCC[C@@H]1CN[C@@H](c1ccc(OC)cc1)[C@H]1CCC[NH2+]1 ZINC000422752846 296327035 /nfs/dbraw/zinc/32/70/35/296327035.db2.gz HOQUYZGXWJLHBZ-QRQLOZEOSA-N 2 0 317.477 2.562 20 0 DFADRP [NH3+][C@@H]1C[C@H]([NH2+]C[C@H](CO)Cc2ccc(F)cc2)c2ccccc21 ZINC000422753658 296327080 /nfs/dbraw/zinc/32/70/80/296327080.db2.gz GEOIXOKATDYLIL-ZMYBRWDISA-N 2 0 314.404 2.711 20 0 DFADRP Cc1cc(F)ccc1N1CCC[C@H]([NH2+][C@H](C)[C@@H]2CC[NH2+]C2)C1 ZINC000422754937 296327487 /nfs/dbraw/zinc/32/74/87/296327487.db2.gz GJQSDQOAJLPYEV-INMHGKMJSA-N 2 0 305.441 2.691 20 0 DFADRP Cc1nc2ccccc2n1CCC[NH2+][C@H]1CC[NH2+]CC[C@H]1C ZINC000422752427 296326893 /nfs/dbraw/zinc/32/68/93/296326893.db2.gz GYYGTMGGXZQFOD-ZBFHGGJFSA-N 2 0 300.450 2.713 20 0 DFADRP COC[C@@H](CCC[NH3+])[NH2+]Cc1csc(-c2ccccc2)n1 ZINC000422753891 296326927 /nfs/dbraw/zinc/32/69/27/296326927.db2.gz FHFADSCFNJAJIQ-CQSZACIVSA-N 2 0 305.447 2.654 20 0 DFADRP [NH3+][C@@H]1CCC[C@@H]1[NH2+]CC1(c2cccc(Cl)c2)CCOCC1 ZINC000422762993 296328967 /nfs/dbraw/zinc/32/89/67/296328967.db2.gz OHWHDMSXRZNWAE-CVEARBPZSA-N 2 0 308.853 2.858 20 0 DFADRP CC[C@H]([NH2+]CCCn1c(C)nc2ccccc21)[C@@H]1CCC[NH2+]1 ZINC000422761657 296328494 /nfs/dbraw/zinc/32/84/94/296328494.db2.gz RKIJGXHADIMCAV-HOTGVXAUSA-N 2 0 300.450 2.855 20 0 DFADRP Cc1ccc([C@H](C)C[NH2+][C@@H]2CCOC[C@@H]2[C@@H]2CCC[NH2+]2)cc1 ZINC000422762257 296328798 /nfs/dbraw/zinc/32/87/98/296328798.db2.gz MKJOJEYAQNAWLJ-OQIJWPOYSA-N 2 0 302.462 2.845 20 0 DFADRP C[C@H](C[C@H](C)[NH3+])[NH2+][C@H]1CCN(c2ccccc2OC(F)F)C1 ZINC000422762361 296328803 /nfs/dbraw/zinc/32/88/03/296328803.db2.gz NRBQXNSBKGLZIX-XQQFMLRXSA-N 2 0 313.392 2.582 20 0 DFADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]C[C@@H](CO)Cc1ccc(F)cc1 ZINC000422762122 296328858 /nfs/dbraw/zinc/32/88/58/296328858.db2.gz NNVSQDFJQAXDRA-AYBZRNKSSA-N 2 0 322.468 2.877 20 0 DFADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+][C@@H](CC[NH+](C)C)C(C)(C)C ZINC000422765805 296329685 /nfs/dbraw/zinc/32/96/85/296329685.db2.gz RGBIFAOROLELIR-YOEHRIQHSA-N 3 0 306.498 2.866 20 0 DFADRP CCOc1ccc(CC[NH2+][C@@H]2CCC[NH2+]CC2)cc1OCC ZINC000422764004 296329361 /nfs/dbraw/zinc/32/93/61/296329361.db2.gz PFMHVAJTDYYDOZ-MRXNPFEDSA-N 2 0 306.450 2.758 20 0 DFADRP C[C@H](CCC[NH3+])[NH2+]CC1(N[C@@H](C)c2ccccc2)CCOCC1 ZINC000422771546 296330398 /nfs/dbraw/zinc/33/03/98/296330398.db2.gz VWOQLDDGEYSBKS-SJORKVTESA-N 2 0 319.493 2.603 20 0 DFADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]C[C@@H](c1cccs1)N(C)C ZINC000422769932 296330411 /nfs/dbraw/zinc/33/04/11/296330411.db2.gz VPHKPYWBPKDQQS-LRDDRELGSA-N 2 0 318.490 2.864 20 0 DFADRP COc1cccc(N2CCC[C@H]([NH2+][C@H]3CC[NH2+]CC[C@H]3C)C2)c1 ZINC000422770060 296330265 /nfs/dbraw/zinc/33/02/65/296330265.db2.gz WHVAJLFCZIWDRY-GJYPPUQNSA-N 2 0 317.477 2.642 20 0 DFADRP C[C@@H](CCC[NH3+])[NH2+]CC1(N[C@@H](C)c2ccccc2)CCOCC1 ZINC000422771545 296330294 /nfs/dbraw/zinc/33/02/94/296330294.db2.gz VWOQLDDGEYSBKS-IRXDYDNUSA-N 2 0 319.493 2.603 20 0 DFADRP C[C@H](NCC(C)(C)[NH+]1C[C@H](C)C[C@@H](C)C1)c1c[nH+]ccc1N ZINC000422773236 296330702 /nfs/dbraw/zinc/33/07/02/296330702.db2.gz ZNDYSQQWJQPQAY-KFWWJZLASA-N 2 0 304.482 2.901 20 0 DFADRP Cc1nc2ccccc2n1CC[NH2+][C@H](Cc1ccccc1)[C@@H](C)[NH3+] ZINC000422782649 296331822 /nfs/dbraw/zinc/33/18/22/296331822.db2.gz JWMPTAYWXVIJNA-DNVCBOLYSA-N 2 0 322.456 2.893 20 0 DFADRP C[C@H]([NH2+]C1CCN(Cc2ccc(Cl)cc2)CC1)C1C[NH2+]C1 ZINC000422779740 296331480 /nfs/dbraw/zinc/33/14/80/296331480.db2.gz GLATWVNVYNTINL-ZDUSSCGKSA-N 2 0 307.869 2.502 20 0 DFADRP Cc1cc(C)c(C[NH2+][C@@H]2CCOC[C@@H]2[C@H]2CCC[NH2+]2)c(C)c1 ZINC000422777391 296331487 /nfs/dbraw/zinc/33/14/87/296331487.db2.gz FMTMAHRCVLHBTB-GUDVDZBRSA-N 2 0 302.462 2.859 20 0 DFADRP CC[C@@H](CCc1ccccc1)[NH2+]C[C@H](C)N1CC[NH+](C)CC1 ZINC000623888732 399487733 /nfs/dbraw/zinc/48/77/33/399487733.db2.gz ROHKPZZUMMLWFI-HKUYNNGSSA-N 2 0 303.494 2.623 20 0 DFADRP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]CCNc1ncc(Cl)cc1Cl ZINC000422786348 296332517 /nfs/dbraw/zinc/33/25/17/296332517.db2.gz QFKWYXKRGQIRSW-CABZTGNLSA-N 2 0 303.237 2.517 20 0 DFADRP [NH3+]C[C@H]1CCCC[C@H]1[NH2+]CCc1ccn(-c2ccc(F)cc2)n1 ZINC000422782224 296331979 /nfs/dbraw/zinc/33/19/79/296331979.db2.gz FZDQXOUQUKAYDP-RDTXWAMCSA-N 2 0 316.424 2.661 20 0 DFADRP [NH3+][C@@H]1CCC[C@@H]1[NH2+]CC1(c2ccccc2Br)CC1 ZINC000422781422 296332092 /nfs/dbraw/zinc/33/20/92/296332092.db2.gz KMSQFAOSTHNBSV-KGLIPLIRSA-N 2 0 309.251 2.950 20 0 DFADRP [NH3+]C[C@H]1CCC[C@@H]1[NH2+]Cc1ccccc1C[NH+]1CCCCC1 ZINC000422782572 296332118 /nfs/dbraw/zinc/33/21/18/296332118.db2.gz GROTUZGQZVRMKX-APWZRJJASA-N 3 0 301.478 2.890 20 0 DFADRP C[C@H](CCC[NH3+])[NH2+][C@H]1CCCN(c2ccccc2Cl)C1=O ZINC000422783609 296332244 /nfs/dbraw/zinc/33/22/44/296332244.db2.gz OMGGGBIAKYAYLS-OCCSQVGLSA-N 2 0 309.841 2.552 20 0 DFADRP C[C@@H]1CC[NH2+]C[C@H]1NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000422783857 296332399 /nfs/dbraw/zinc/33/23/99/296332399.db2.gz IARNWKAVIILXKB-VQIMIIECSA-N 2 0 301.478 2.760 20 0 DFADRP COc1ccc(CC[NH2+][C@@H]2C[C@H]([NH3+])c3ccccc32)c(OC)c1 ZINC000422782907 296332438 /nfs/dbraw/zinc/33/24/38/296332438.db2.gz NRGRSYOGSQRETI-ZWKOTPCHSA-N 2 0 312.413 2.981 20 0 DFADRP [NH3+]C1CCC([NH2+]CCNc2ncc(Cl)cc2Cl)CC1 ZINC000422790055 296333232 /nfs/dbraw/zinc/33/32/32/296333232.db2.gz UPVYNVXNWVHAGB-UHFFFAOYSA-N 2 0 303.237 2.660 20 0 DFADRP C[C@H]([NH2+]CCc1csc(-c2ccccc2)n1)[C@@H]1CC[NH2+]C1 ZINC000422785689 296332781 /nfs/dbraw/zinc/33/27/81/296332781.db2.gz NVKCNPOMGOFELM-DZGCQCFKSA-N 2 0 301.459 2.940 20 0 DFADRP Cc1cccc(O[C@H](C)C[NH2+][C@@H]2CCOC[C@H]2[C@H]2CCC[NH2+]2)c1 ZINC000422787998 296332901 /nfs/dbraw/zinc/33/29/01/296332901.db2.gz MVQNALJUNPITSM-QXCFHYIPSA-N 2 0 318.461 2.509 20 0 DFADRP CCOC(=O)[C@](C)(C[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1)c1ccccc1 ZINC000602629747 399496661 /nfs/dbraw/zinc/49/66/61/399496661.db2.gz JFZOUASKDOWEMU-SZVBFZGTSA-N 2 0 318.461 2.580 20 0 DFADRP CCCC[NH+]1CCC(N[C@H](C)c2ccc(C[NH3+])nc2C)CC1 ZINC000422793100 296333671 /nfs/dbraw/zinc/33/36/71/296333671.db2.gz XVUNJBBKMWBACD-CQSZACIVSA-N 2 0 304.482 2.764 20 0 DFADRP CCCC[NH+]1CCC(N[C@@H](C)c2ccc(C[NH3+])nc2C)CC1 ZINC000422793099 296333686 /nfs/dbraw/zinc/33/36/86/296333686.db2.gz XVUNJBBKMWBACD-AWEZNQCLSA-N 2 0 304.482 2.764 20 0 DFADRP CCC[C@H](C(=O)NC[C@@H]([NH3+])c1ccc(C(C)C)cc1)[NH+](C)C ZINC000422792309 296333785 /nfs/dbraw/zinc/33/37/85/296333785.db2.gz DIHREUNQBMQPDK-IAGOWNOFSA-N 2 0 305.466 2.656 20 0 DFADRP C[C@@H]1C[N@@H+](CCCC[NH2+][C@H]2CCCc3scnc32)C[C@H](C)O1 ZINC000623916581 399494573 /nfs/dbraw/zinc/49/45/73/399494573.db2.gz SXFDIIXJUSGLLR-ZNMIVQPWSA-N 2 0 323.506 3.000 20 0 DFADRP COc1cccnc1N[C@H]1CCCN(c2cc(C)nc(C)n2)C1 ZINC000623946138 399500511 /nfs/dbraw/zinc/50/05/11/399500511.db2.gz OGOKOZXCHJZFPC-AWEZNQCLSA-N 2 0 313.405 2.578 20 0 DFADRP CC[NH+](CC)[C@H](CN[C@H]1C[NH2+]CC[C@H]1C)c1cccc(OC)c1 ZINC000422795637 296334444 /nfs/dbraw/zinc/33/44/44/296334444.db2.gz IALZLNQZHXYBBP-AYOQOUSVSA-N 2 0 319.493 2.666 20 0 DFADRP CC[NH+](CC)[C@H](CN[C@@H]1C[NH2+]CC[C@H]1C)c1cccc(OC)c1 ZINC000422795636 296334463 /nfs/dbraw/zinc/33/44/63/296334463.db2.gz IALZLNQZHXYBBP-ATZDWAIDSA-N 2 0 319.493 2.666 20 0 DFADRP C[C@H](C[C@H](C)[NH3+])[NH2+]C[C@@H](C)Oc1cccc(Br)c1 ZINC000422796060 296334489 /nfs/dbraw/zinc/33/44/89/296334489.db2.gz IKQCWJFYNBRAOT-QJPTWQEYSA-N 2 0 315.255 2.932 20 0 DFADRP Cc1nn(Cc2ccccc2)c(C)c1C[NH2+][C@H](C)C[C@H](C)[NH3+] ZINC000422795747 296334589 /nfs/dbraw/zinc/33/45/89/296334589.db2.gz WOEFVRMJVVDPSK-UONOGXRCSA-N 2 0 300.450 2.764 20 0 DFADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]CCc1ccn(-c2ccc(F)cc2)n1 ZINC000422796936 296334688 /nfs/dbraw/zinc/33/46/88/296334688.db2.gz ZMSWPUKTKHCXAE-RDTXWAMCSA-N 2 0 316.424 2.532 20 0 DFADRP C[C@H](C[NH2+][C@@H]1CCC[C@H]1[NH3+])Oc1ccc(Br)cc1 ZINC000422794478 296334099 /nfs/dbraw/zinc/33/40/99/296334099.db2.gz GTFSZPWEEJPQNJ-LERXQTSPSA-N 2 0 313.239 2.686 20 0 DFADRP C[C@H](NCc1ccc(C[NH+]2CCCC2)cc1)[C@H]1CCCC[NH2+]1 ZINC000422795100 296334196 /nfs/dbraw/zinc/33/41/96/296334196.db2.gz ZSZWGUDAJGRHIW-QFBILLFUSA-N 2 0 301.478 2.903 20 0 DFADRP CC[NH+](CC)[C@@H](CN[C@H](C)[C@@H]1CCC[NH2+]1)c1cccc(OC)c1 ZINC000422798726 296335142 /nfs/dbraw/zinc/33/51/42/296335142.db2.gz SNRNFOCBMQLADV-MNEFBYGVSA-N 2 0 319.493 2.808 20 0 DFADRP C(C1CCCC1)[N@@H+]1CC[C@H](N[C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)C1 ZINC000422798943 296335169 /nfs/dbraw/zinc/33/51/69/296335169.db2.gz UIXDGXVCTWYQLP-WJFTUGDTSA-N 2 0 305.510 2.761 20 0 DFADRP CC[NH+](CC)[C@H](CN[C@H](C)[C@@H]1CCC[NH2+]1)c1cccc(OC)c1 ZINC000422798722 296335298 /nfs/dbraw/zinc/33/52/98/296335298.db2.gz SNRNFOCBMQLADV-AYOQOUSVSA-N 2 0 319.493 2.808 20 0 DFADRP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1[NH2+]CC1(c2ccccc2)CCCC1 ZINC000422803032 296335966 /nfs/dbraw/zinc/33/59/66/296335966.db2.gz CHKGXAIMZKEERF-SZMVWBNQSA-N 2 0 302.462 2.840 20 0 DFADRP CC[C@H](C[NH2+][C@H]1CCC[NH2+]CC1)N1CCc2ccccc2C1 ZINC000422805820 296336082 /nfs/dbraw/zinc/33/60/82/296336082.db2.gz JQUSAWRZWHSDMF-RBUKOAKNSA-N 2 0 301.478 2.555 20 0 DFADRP CO[C@H](C[NH2+][C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)C(C)(C)C ZINC000422807234 296336646 /nfs/dbraw/zinc/33/66/46/296336646.db2.gz JLJIHXIXEYSQJQ-WDYCEAGBSA-N 2 0 318.461 2.893 20 0 DFADRP [NH3+]C[C@H]1CCCC[C@H]1[NH2+]Cc1cccc(C[NH+]2CCCC2)c1 ZINC000422812762 296337755 /nfs/dbraw/zinc/33/77/55/296337755.db2.gz WWDYYXBDKIYXPA-RTBURBONSA-N 3 0 301.478 2.890 20 0 DFADRP [NH3+][C@H]1CCCCC[C@@H]1NCCC[N@@H+]1CCc2ccccc2C1 ZINC000422813190 296337910 /nfs/dbraw/zinc/33/79/10/296337910.db2.gz XRUJQFHZDJZWEV-OALUTQOASA-N 2 0 301.478 2.684 20 0 DFADRP CN(C)[C@H](C[NH2+][C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1)c1ccsc1 ZINC000422813278 296337922 /nfs/dbraw/zinc/33/79/22/296337922.db2.gz ZFFNXXABUZONDU-YLFCFFPRSA-N 2 0 307.507 2.861 20 0 DFADRP CN(C)[C@H](C[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1)c1ccsc1 ZINC000422813276 296338073 /nfs/dbraw/zinc/33/80/73/296338073.db2.gz ZFFNXXABUZONDU-MWDXBVQZSA-N 2 0 307.507 2.861 20 0 DFADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]Cc1cccc(C[NH+]2CCCC2)c1 ZINC000422812758 296337512 /nfs/dbraw/zinc/33/75/12/296337512.db2.gz WWDYYXBDKIYXPA-OALUTQOASA-N 3 0 301.478 2.890 20 0 DFADRP CC[C@H](C[NH2+][C@H]1CC[NH2+]CC[C@H]1C)N1CCc2ccccc2C1 ZINC000422812570 296337536 /nfs/dbraw/zinc/33/75/36/296337536.db2.gz WOQPNNCTRBVUJF-AHRSYUTCSA-N 2 0 315.505 2.801 20 0 DFADRP [NH3+]CC1CCC([NH2+]Cc2cccc(C[NH+]3CCCC3)c2)CC1 ZINC000422811697 296337624 /nfs/dbraw/zinc/33/76/24/296337624.db2.gz VFJOICCCULARKL-UHFFFAOYSA-N 3 0 301.478 2.890 20 0 DFADRP C[C@@H]([NH3+])C[C@H](C)[NH2+]Cc1ccc(COCC(F)(F)F)cc1 ZINC000422811592 296337656 /nfs/dbraw/zinc/33/76/56/296337656.db2.gz PKGRTHOIAGVSSQ-NEPJUHHUSA-N 2 0 304.356 2.981 20 0 DFADRP CC(C)(C)C1CCC(C[N@@H+]2CC[C@@H](n3cc(C[NH3+])nn3)C2)CC1 ZINC000631845507 399506057 /nfs/dbraw/zinc/50/60/57/399506057.db2.gz DAYXJOHTFFBQRU-VMBOVVBDSA-N 2 0 319.497 2.836 20 0 DFADRP C[C@H](NC1CC[NH+](C2CCCCC2)CC1)c1c[nH+]ccc1N ZINC000422818539 296338957 /nfs/dbraw/zinc/33/89/57/296338957.db2.gz GRGWHZVHELMRLX-AWEZNQCLSA-N 2 0 302.466 2.942 20 0 DFADRP CCCCO[C@@H]1C[C@H]([NH2+][C@@H]2CCOC[C@@H]2[C@@H]2CCC[NH2+]2)C1(C)C ZINC000422819517 296338973 /nfs/dbraw/zinc/33/89/73/296338973.db2.gz NCUXSMBRXRVISW-MDMSPXHWSA-N 2 0 324.509 2.717 20 0 DFADRP CCC[N@H+](CC)CCN[C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422823575 296339633 /nfs/dbraw/zinc/33/96/33/296339633.db2.gz LUAMPNVPYLCLBX-PKOBYXMFSA-N 2 0 317.477 2.564 20 0 DFADRP CC[C@@H](NCc1ccccc1OCC[NH+](C)C)[C@@H]1CCCC[NH2+]1 ZINC000422824843 296339699 /nfs/dbraw/zinc/33/96/99/296339699.db2.gz OQSDYOQIAHEZFJ-MSOLQXFVSA-N 2 0 319.493 2.637 20 0 DFADRP C[C@@H]1CCNC[C@@H]1[NH2+]CC1CC[NH+](Cc2cccs2)CC1 ZINC000422830738 296341118 /nfs/dbraw/zinc/34/11/18/296341118.db2.gz RQCUNFISHOJWNG-PBHICJAKSA-N 2 0 307.507 2.548 20 0 DFADRP C[C@@H]([NH2+]CC1CC[NH+](Cc2cccs2)CC1)[C@H]1CCC[NH2+]1 ZINC000422830407 296341194 /nfs/dbraw/zinc/34/11/94/296341194.db2.gz QZIWNGURXMGEAS-RHSMWYFYSA-N 3 0 307.507 2.690 20 0 DFADRP C[C@@H](C[NH2+]C1CC[NH2+]CC1)Oc1ccccc1Br ZINC000422827910 296340284 /nfs/dbraw/zinc/34/02/84/296340284.db2.gz AEZWPNPWIPCGLS-NSHDSACASA-N 2 0 313.239 2.558 20 0 DFADRP Cc1ccc([C@@H](CN[C@H](C)[C@@H]2CCC[NH2+]2)[NH+]2CCCC2)cc1 ZINC000422826725 296340380 /nfs/dbraw/zinc/34/03/80/296340380.db2.gz LYLIHVUDRVMDNV-NZSAHSFTSA-N 2 0 301.478 2.862 20 0 DFADRP CC(C)Oc1ccc(C[NH2+][C@@H]2CCOC[C@@H]2[C@H]2CCC[NH2+]2)cc1 ZINC000422829586 296340651 /nfs/dbraw/zinc/34/06/51/296340651.db2.gz PXPAMFUHHHFALN-GUDVDZBRSA-N 2 0 318.461 2.721 20 0 DFADRP CCc1ccc(C(C)(C)C[NH2+][C@@H]2CCOC[C@H]2[C@@H](C)[NH3+])cc1 ZINC000422839835 296342478 /nfs/dbraw/zinc/34/24/78/296342478.db2.gz RNKSACULEZRMGU-FHLIZLRMSA-N 2 0 304.478 2.869 20 0 DFADRP CCC(C)(C)[NH2+][C@@H](C)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C(C)C ZINC000347016090 285003961 /nfs/dbraw/zinc/00/39/61/285003961.db2.gz OGBYZIKTGDIGEJ-XHSDSOJGSA-N 2 0 309.498 2.627 20 0 DFADRP CC[NH+](CC)[C@H](CN[C@H]1CC[NH2+]CC[C@@H]1C)Cc1ccccc1 ZINC000422832871 296341563 /nfs/dbraw/zinc/34/15/63/296341563.db2.gz LMEBSIPEUGATHE-IHPCNDPISA-N 2 0 317.521 2.917 20 0 DFADRP c1cc(N2CCCC2)ncc1C[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000422835258 296341642 /nfs/dbraw/zinc/34/16/42/296341642.db2.gz YJKMIBOSVZORDX-KZNAEPCWSA-N 2 0 314.477 2.692 20 0 DFADRP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+][C@H]1CCCN(Cc2ccccc2)C1 ZINC000422834330 296341736 /nfs/dbraw/zinc/34/17/36/296341736.db2.gz NSKXCKKABPYVOF-OTWHNJEPSA-N 2 0 301.478 2.901 20 0 DFADRP C[C@@H]([NH3+])[C@@H](Cc1ccccc1)NC1CC[NH+](C2CCCC2)CC1 ZINC000422835827 296342098 /nfs/dbraw/zinc/34/20/98/296342098.db2.gz JEEBCGDPRYNPOL-OXQOHEQNSA-N 2 0 315.505 2.942 20 0 DFADRP CC[NH+](CC)[C@H](CN[C@@H](C)[C@@H]1CC[NH2+]C1)Cc1ccccc1 ZINC000422836470 296342187 /nfs/dbraw/zinc/34/21/87/296342187.db2.gz RFHRPANSTWBTTD-UHOSZYNNSA-N 2 0 303.494 2.527 20 0 DFADRP C[C@H](C[NH2+][C@H]1CCC[C@H]1[NH3+])Oc1ccccc1Br ZINC000422836857 296342205 /nfs/dbraw/zinc/34/22/05/296342205.db2.gz KSBLQEOAKFWQSY-RTXFEEFZSA-N 2 0 313.239 2.686 20 0 DFADRP COc1ccccc1N1CCC([NH2+][C@@H]2CCCC[C@H]2C[NH3+])CC1 ZINC000422841028 296342729 /nfs/dbraw/zinc/34/27/29/296342729.db2.gz VBRKYLKKMSWUAY-DOTOQJQBSA-N 2 0 317.477 2.771 20 0 DFADRP COc1ccc(-c2n[nH]cc2C[NH+]2CCC([C@H](C)[NH3+])CC2)cc1 ZINC000347018955 285006463 /nfs/dbraw/zinc/00/64/63/285006463.db2.gz LMWNMKCJVZSRFG-ZDUSSCGKSA-N 2 0 314.433 2.645 20 0 DFADRP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]CC1(c2ccccc2)CCOCC1 ZINC000422843091 296343171 /nfs/dbraw/zinc/34/31/71/296343171.db2.gz GYWHTQXBAALMAZ-FUHWJXTLSA-N 2 0 302.462 2.842 20 0 DFADRP COc1ccccc1N1CC[C@H](C[NH2+][C@H](C)CCCC[NH3+])C1 ZINC000422847406 296344010 /nfs/dbraw/zinc/34/40/10/296344010.db2.gz IBZKJKJKGJBPBS-HZPDHXFCSA-N 2 0 305.466 2.629 20 0 DFADRP COc1ccccc1N1CC[C@@H](C[NH2+][C@@H](C)[C@@H]2CCCC[NH2+]2)C1 ZINC000422853312 296345227 /nfs/dbraw/zinc/34/52/27/296345227.db2.gz RXRSKQPKNHGYEB-ULQDDVLXSA-N 2 0 317.477 2.642 20 0 DFADRP Cc1cc(C)n(-c2ccc(CC[NH2+][C@@H]3CCC[C@@H]3C[NH3+])cc2)n1 ZINC000422856553 296345668 /nfs/dbraw/zinc/34/56/68/296345668.db2.gz GHEOGYNTDNLANH-IEBWSBKVSA-N 2 0 312.461 2.749 20 0 DFADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]C[C@H](C)N1CCC[C@H](C)C1 ZINC000422860813 296346553 /nfs/dbraw/zinc/34/65/53/296346553.db2.gz LUVXPWIJOLFNTQ-KKUMJFAQSA-N 2 0 304.482 2.620 20 0 DFADRP Cc1ccc(OCCC[NH2+][C@@H]2CCOC[C@H]2[C@H]2CCC[NH2+]2)cc1 ZINC000422862990 296346697 /nfs/dbraw/zinc/34/66/97/296346697.db2.gz QWJOZLIGMBNTMI-IPMKNSEASA-N 2 0 318.461 2.511 20 0 DFADRP Cc1ccc(OCCC[NH2+][C@@H]2CCOC[C@@H]2[C@@H]2CCC[NH2+]2)cc1 ZINC000422862980 296346822 /nfs/dbraw/zinc/34/68/22/296346822.db2.gz QWJOZLIGMBNTMI-CEXWTWQISA-N 2 0 318.461 2.511 20 0 DFADRP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+][C@@H]1CCN(c2c(F)cccc2F)C1 ZINC000422863935 296346888 /nfs/dbraw/zinc/34/68/88/296346888.db2.gz MCTSAUGTYSONJZ-WOSRLPQWSA-N 2 0 309.404 2.651 20 0 DFADRP Cc1ccc(C[NH2+][C@@H]2CCOC[C@@H]2[C@@H](C)[NH3+])c(OCC2CC2)c1 ZINC000422866188 296346989 /nfs/dbraw/zinc/34/69/89/296346989.db2.gz QAJXJPPVIHCUCM-ZTFGCOKTSA-N 2 0 318.461 2.626 20 0 DFADRP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+][C@H]1CCN(c2ccccc2)C1 ZINC000422865467 296347161 /nfs/dbraw/zinc/34/71/61/296347161.db2.gz YEIZORRIJBUCLL-QRFRQXIXSA-N 2 0 309.457 2.813 20 0 DFADRP C[C@@H]([NH2+]Cc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1)C1C[NH2+]C1 ZINC000422866513 296347166 /nfs/dbraw/zinc/34/71/66/296347166.db2.gz QLQUTAWKDNYOKM-HZPDHXFCSA-N 3 0 301.478 2.616 20 0 DFADRP Cc1c(Cl)cccc1NC(=O)CC[NH2+][C@@H]1CCC[C@H]1C[NH3+] ZINC000422865351 296347206 /nfs/dbraw/zinc/34/72/06/296347206.db2.gz XWFDGJIHGAYOFO-SWLSCSKDSA-N 2 0 309.841 2.694 20 0 DFADRP C[C@@H](C[C@H]1CCCCC[NH2+]1)[NH2+]CCCN(C)CC(F)(F)F ZINC000422868601 296347539 /nfs/dbraw/zinc/34/75/39/296347539.db2.gz VPQNBNLTKLEMAD-UONOGXRCSA-N 2 0 309.420 2.771 20 0 DFADRP CCCOc1cc(C)ccc1C[NH2+][C@@H]1CCOC[C@H]1[C@@H](C)[NH3+] ZINC000422869505 296347646 /nfs/dbraw/zinc/34/76/46/296347646.db2.gz AKJHCZOXMKFICG-HYVNUMGLSA-N 2 0 306.450 2.626 20 0 DFADRP C[C@H]([NH2+]CC(C)(C)c1cccc(Br)c1)C1C[NH2+]C1 ZINC000422877725 296349120 /nfs/dbraw/zinc/34/91/20/296349120.db2.gz IRQZTHPNZQDBJU-NSHDSACASA-N 2 0 311.267 2.924 20 0 DFADRP C[C@@H]1C[C@H](N[C@H]2CCCCC[C@@H]2[NH3+])C[N@@H+]1Cc1ccccc1 ZINC000422873375 296348456 /nfs/dbraw/zinc/34/84/56/296348456.db2.gz LEEOQSKOFYSKBH-BVBHFADKSA-N 2 0 301.478 2.899 20 0 DFADRP C[C@H]1C[C@H]([NH2+]C2CCC(C[NH3+])CC2)CN1Cc1ccccc1 ZINC000422875568 296348736 /nfs/dbraw/zinc/34/87/36/296348736.db2.gz PFHMUQSJUFQADX-GSHBMFQSSA-N 2 0 301.478 2.757 20 0 DFADRP Cc1ccc([C@H](CN[C@@H](C)[C@H]2CCCC[NH2+]2)[NH+]2CCCC2)o1 ZINC000422877961 296349032 /nfs/dbraw/zinc/34/90/32/296349032.db2.gz JEWJHBZRGATIRE-BBWFWOEESA-N 2 0 305.466 2.845 20 0 DFADRP CC[N@H+](CCN[C@@H](c1ccc(OC)cc1)[C@H]1CCC[NH2+]1)C(C)C ZINC000422883661 296350116 /nfs/dbraw/zinc/35/01/16/296350116.db2.gz VIUGHIIGNPOPPT-MOPGFXCFSA-N 2 0 319.493 2.808 20 0 DFADRP Cc1ccccc1C1(C[NH2+][C@@H]2CCC[NH2+]CC2)CCOCC1 ZINC000422883253 296350179 /nfs/dbraw/zinc/35/01/79/296350179.db2.gz UMTUURXGHVSYQV-QGZVFWFLSA-N 2 0 302.462 2.775 20 0 DFADRP CCCCOc1cccc(C[NH2+][C@@H]2CCOC[C@@H]2[C@@H](C)[NH3+])c1 ZINC000422889847 296351198 /nfs/dbraw/zinc/35/11/98/296351198.db2.gz GZYOTQFITMHLTK-ZTFGCOKTSA-N 2 0 306.450 2.707 20 0 DFADRP CC[NH+](CC)CCOc1ccccc1CN[C@@H]1CCC[NH2+]CC1 ZINC000422890539 296351550 /nfs/dbraw/zinc/35/15/50/296351550.db2.gz IMVPBULGSANVTN-GOSISDBHSA-N 2 0 319.493 2.639 20 0 DFADRP Cc1cc(C)n(-c2ccccc2C[NH2+][C@H]2CC[NH2+]CC[C@H]2C)n1 ZINC000422886694 296350859 /nfs/dbraw/zinc/35/08/59/296350859.db2.gz JPABPGYNBOCSMI-KDOFPFPSSA-N 2 0 312.461 2.967 20 0 DFADRP COc1cccc(N2CC[C@@H](C[NH2+][C@H](C)[C@@H]3CCCC[NH2+]3)C2)c1 ZINC000422899819 296352759 /nfs/dbraw/zinc/35/27/59/296352759.db2.gz IGZQBYHTSXWDIU-GJYPPUQNSA-N 2 0 317.477 2.642 20 0 DFADRP CC[C@H]([NH2+]C[C@@H]1CCN(c2cccc(OC)c2)C1)[C@@H]1CCC[NH2+]1 ZINC000422899753 296352826 /nfs/dbraw/zinc/35/28/26/296352826.db2.gz IFIXRLYRESATLV-SNRMKQJTSA-N 2 0 317.477 2.642 20 0 DFADRP Cc1ccccc1C[NH+]1CCC(N[C@@H]2C[NH2+]CC[C@H]2C)CC1 ZINC000422899995 296352834 /nfs/dbraw/zinc/35/28/34/296352834.db2.gz PQQAASGJXGEGLU-VQIMIIECSA-N 2 0 301.478 2.547 20 0 DFADRP Cc1c2cc(F)ccc2oc1C[NH2+][C@@H]1CCOC[C@H]1[C@H](C)[NH3+] ZINC000422900673 296353014 /nfs/dbraw/zinc/35/30/14/296353014.db2.gz JVDCHRJAKDMQOB-TUKIKUTGSA-N 2 0 306.381 2.722 20 0 DFADRP CCc1nc(CC[NH2+][C@H](C)c2ccc(C[NH3+])nc2C)cs1 ZINC000422901441 296353176 /nfs/dbraw/zinc/35/31/76/296353176.db2.gz KVHHWSHFDLTMAB-LLVKDONJSA-N 2 0 304.463 2.761 20 0 DFADRP CC(C)COc1cccc(C[NH2+][C@@H]2CCOC[C@@H]2[C@@H](C)[NH3+])c1 ZINC000422902663 296353380 /nfs/dbraw/zinc/35/33/80/296353380.db2.gz UXNJQYQYXAFUHT-ZTFGCOKTSA-N 2 0 306.450 2.563 20 0 DFADRP CC(C)COc1cccc(C[NH2+][C@@H]2CCOC[C@H]2[C@@H](C)[NH3+])c1 ZINC000422902661 296353444 /nfs/dbraw/zinc/35/34/44/296353444.db2.gz UXNJQYQYXAFUHT-FHLIZLRMSA-N 2 0 306.450 2.563 20 0 DFADRP CC[C@@H](C(=O)N(C)CC[C@H]([NH3+])C(C)C)[N@H+](C)Cc1ccccc1 ZINC000422896445 296352149 /nfs/dbraw/zinc/35/21/49/296352149.db2.gz IHHCMPWKGNDBHF-ROUUACIJSA-N 2 0 319.493 2.729 20 0 DFADRP CC[NH+](CC)CCOc1ccccc1C[NH2+][C@@H]1CCC[C@@H]1C[NH3+] ZINC000422897344 296352380 /nfs/dbraw/zinc/35/23/80/296352380.db2.gz ZQMYHNDQSOQMQX-SJLPKXTDSA-N 3 0 319.493 2.624 20 0 DFADRP Cc1nccn1-c1ccc(C[NH2+][C@H]2CCC[NH2+]CC2)cc1F ZINC000422897592 296352450 /nfs/dbraw/zinc/35/24/50/296352450.db2.gz CGIXKTPKNBCGSI-HNNXBMFYSA-N 2 0 302.397 2.552 20 0 DFADRP [NH3+][C@@H]1C[C@H](NC2CC[NH+](Cc3ccccn3)CC2)c2ccccc21 ZINC000422897705 296352560 /nfs/dbraw/zinc/35/25/60/296352560.db2.gz KERTYIJJAOQYPX-UXHICEINSA-N 2 0 322.456 2.780 20 0 DFADRP C[C@@H](CCCC[NH3+])[NH2+]Cc1cccc(CN2CCO[C@@H](C)C2)c1 ZINC000422903638 296353867 /nfs/dbraw/zinc/35/38/67/296353867.db2.gz OQICSBSHOUYMJP-IRXDYDNUSA-N 2 0 319.493 2.514 20 0 DFADRP Cc1nccn1-c1ccc(C[NH2+][C@H]2CCCC[C@H]2C[NH3+])cc1F ZINC000422904433 296353675 /nfs/dbraw/zinc/35/36/75/296353675.db2.gz PYCPUPZVOZJRON-RDJZCZTQSA-N 2 0 316.424 2.927 20 0 DFADRP CSCC1CCC([NH2+]C2CC[NH+](CC(C)(C)O)CC2)CC1 ZINC000602676769 399515825 /nfs/dbraw/zinc/51/58/25/399515825.db2.gz DNWMENYJWCNROX-UHFFFAOYSA-N 2 0 314.539 2.733 20 0 DFADRP COC[C@H](CCC[NH3+])[NH2+][C@H]1COc2c1ccc(Cl)c2Cl ZINC000422917312 296355377 /nfs/dbraw/zinc/35/53/77/296355377.db2.gz CZXRVTPFOSZRNF-CABZTGNLSA-N 2 0 319.232 2.770 20 0 DFADRP CC[NH+]1CCN(c2ccccc2NC2CCC(C[NH3+])CC2)CC1 ZINC000422921156 296355693 /nfs/dbraw/zinc/35/56/93/296355693.db2.gz NNCXHOYYIWHERW-UHFFFAOYSA-N 2 0 316.493 2.758 20 0 DFADRP c1sc(CC[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)nc1-c1ccncc1 ZINC000422915600 296355181 /nfs/dbraw/zinc/35/51/81/296355181.db2.gz YSDDMWWVBRDXJK-YIONKMFJSA-N 2 0 314.458 2.620 20 0 DFADRP C[C@@H](CCCC[NH3+])[NH2+][C@H]1CCN(c2ccc(Cl)cc2)C1=O ZINC000422927435 296356495 /nfs/dbraw/zinc/35/64/95/296356495.db2.gz YUPUXVWKTTUXNU-WFASDCNBSA-N 2 0 309.841 2.552 20 0 DFADRP C[C@@H]1C[C@@H](Nc2nccc(N3Cc4ccccc4C3)n2)CC[N@@H+]1C ZINC000623995051 399517206 /nfs/dbraw/zinc/51/72/06/399517206.db2.gz LXYQSAKYIJALKF-PBHICJAKSA-N 2 0 323.444 2.891 20 0 DFADRP C[C@H]([NH3+])c1ccc(C(=O)NCC2([NH+](C)C)CCCCC2)cc1 ZINC000422932016 296357071 /nfs/dbraw/zinc/35/70/71/296357071.db2.gz YLLFIJXEGSFTOU-AWEZNQCLSA-N 2 0 303.450 2.701 20 0 DFADRP CCOC(=O)C1([C@@H](C)[NH2+]CC2(CC(C)C)CC2)CC[NH2+]CC1 ZINC000422928485 296356454 /nfs/dbraw/zinc/35/64/54/296356454.db2.gz KSHWBWOORSXIJQ-OAHLLOKOSA-N 2 0 310.482 2.724 20 0 DFADRP CC(C)CC(=O)N1CCC([NH2+][C@H]2C[C@H]([NH3+])c3ccccc32)CC1 ZINC000422937166 296357954 /nfs/dbraw/zinc/35/79/54/296357954.db2.gz NQQXEEQXYLQBNY-ROUUACIJSA-N 2 0 315.461 2.758 20 0 DFADRP O=C(CCC[NH2+][C@@H]1CCC[NH2+]CC1)Nc1ccc(Cl)cc1 ZINC000422938222 296358346 /nfs/dbraw/zinc/35/83/46/296358346.db2.gz GZESLAPAQXTOGF-CQSZACIVSA-N 2 0 309.841 2.790 20 0 DFADRP c1ccc2sc(N3CCC([NH2+]C4CC[NH2+]CC4)CC3)nc2c1 ZINC000422939076 296358423 /nfs/dbraw/zinc/35/84/23/296358423.db2.gz HRYOWBKWWZDQIW-UHFFFAOYSA-N 2 0 316.474 2.607 20 0 DFADRP COC[C@@H](CCC[NH3+])[NH2+][C@@H](C)Cc1ccc(C(F)(F)F)cc1 ZINC000422943577 296358645 /nfs/dbraw/zinc/35/86/45/296358645.db2.gz YGGUPKZEEPSCQP-SWLSCSKDSA-N 2 0 318.383 2.980 20 0 DFADRP CCCCNC(=O)c1ccc(C[NH2+][C@H]2CC[NH2+]CC[C@@H]2C)cc1 ZINC000422942757 296358709 /nfs/dbraw/zinc/35/87/09/296358709.db2.gz PYJDWASMSBMWPS-YJBOKZPZSA-N 2 0 317.477 2.694 20 0 DFADRP [NH3+]C[C@H]1CCC[C@H]1[NH2+]CCc1ccc(F)c(Br)c1 ZINC000422935054 296357686 /nfs/dbraw/zinc/35/76/86/296357686.db2.gz KJMXQVZWJUXIHO-BXUZGUMPSA-N 2 0 315.230 2.848 20 0 DFADRP [NH3+]C1CCC([NH2+]CCOc2ccc(C(F)(F)F)cc2)CC1 ZINC000422934313 296357714 /nfs/dbraw/zinc/35/77/14/296357714.db2.gz CKTXSISCNDWFBT-UHFFFAOYSA-N 2 0 302.340 2.944 20 0 DFADRP CC(C)CC(=O)N1CCC([NH2+][C@@H]2C[C@H]([NH3+])c3ccccc32)CC1 ZINC000422937167 296357848 /nfs/dbraw/zinc/35/78/48/296357848.db2.gz NQQXEEQXYLQBNY-ZWKOTPCHSA-N 2 0 315.461 2.758 20 0 DFADRP C[C@@H]([NH2+][C@@H](C)c1ccc2c(c1)OCCCO2)[C@@H]1CCC[NH2+]C1 ZINC000422944380 296358920 /nfs/dbraw/zinc/35/89/20/296358920.db2.gz RWRWJCPPQHNYQK-SQWLQELKSA-N 2 0 304.434 2.887 20 0 DFADRP CCCCNC(=O)c1ccc(C[NH2+]C2CCC(C[NH3+])CC2)cc1 ZINC000422944394 296358950 /nfs/dbraw/zinc/35/89/50/296358950.db2.gz RXKGYTLCMGNKTN-UHFFFAOYSA-N 2 0 317.477 2.824 20 0 DFADRP C[C@@H]1CC[NH2+]C[C@H]1NCCc1coc(-c2ccc(F)cc2)n1 ZINC000422946039 296359021 /nfs/dbraw/zinc/35/90/21/296359021.db2.gz ODOAGPGWNZUHKM-MLGOLLRUSA-N 2 0 303.381 2.611 20 0 DFADRP C[C@H]([NH3+])[C@@H]1COCC[C@H]1[NH2+]Cc1ccc(OC2CCCC2)cc1 ZINC000422948507 296359620 /nfs/dbraw/zinc/35/96/20/296359620.db2.gz SBAYLJVGUTXGAO-ZOCIIQOWSA-N 2 0 318.461 2.850 20 0 DFADRP Cc1nc(-c2ccc(C[NH2+][C@@H]3CCOC[C@H]3[C@H](C)[NH3+])o2)cs1 ZINC000422948675 296359670 /nfs/dbraw/zinc/35/96/70/296359670.db2.gz RWEMBPMGEGAKNW-LEWSCRJBSA-N 2 0 321.446 2.553 20 0 DFADRP C[C@H]([NH2+]CCOc1ccc(C(F)(F)F)cc1)[C@H]1CC[NH2+]C1 ZINC000422949086 296359823 /nfs/dbraw/zinc/35/98/23/296359823.db2.gz SRANRFQYUWVMHB-RYUDHWBXSA-N 2 0 302.340 2.672 20 0 DFADRP C[NH+](C)C1(CNC(=O)c2ccc3c(c2)C[NH2+]C3)CCCCCC1 ZINC000347511428 285065563 /nfs/dbraw/zinc/06/55/63/285065563.db2.gz CKCFXGNQZSYTQQ-UHFFFAOYSA-N 2 0 315.461 2.674 20 0 DFADRP C[C@H]1CC[NH2+]C[C@@H]1Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000422953812 296360231 /nfs/dbraw/zinc/36/02/31/296360231.db2.gz GNEZFOLPXPYBLM-YOEHRIQHSA-N 2 0 305.491 2.645 20 0 DFADRP C[C@H]([NH3+])C[C@H](C)Nc1cccc(C[NH+]2C[C@@H](C)O[C@H](C)C2)c1 ZINC000422952571 296360430 /nfs/dbraw/zinc/36/04/30/296360430.db2.gz BIDLROIKGNYDCO-CAOSSQGBSA-N 2 0 305.466 2.834 20 0 DFADRP CCC(CC)[C@H](CN[C@H](Cc1ccccc1)[C@@H](C)[NH3+])[NH+](C)C ZINC000422962707 296361535 /nfs/dbraw/zinc/36/15/35/296361535.db2.gz GMUXUJFQKSHAKT-LZQZEXGQSA-N 2 0 305.510 2.901 20 0 DFADRP C[C@H]1CC[NH2+]CC[C@H]1[NH2+]Cc1ccnc(OC2CCCC2)c1 ZINC000422962361 296361697 /nfs/dbraw/zinc/36/16/97/296361697.db2.gz FMSIOJWLGPJZIP-WMLDXEAASA-N 2 0 303.450 2.881 20 0 DFADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]C[C@H](c1ccco1)N1CCCCC1 ZINC000422963138 296361703 /nfs/dbraw/zinc/36/17/03/296361703.db2.gz HQAVAGGODPSRMF-YESZJQIVSA-N 2 0 305.466 2.914 20 0 DFADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]C[C@H](c1ccco1)N1CCCCC1 ZINC000422966205 296361924 /nfs/dbraw/zinc/36/19/24/296361924.db2.gz QZGXQUKNFLUJQY-IXDOHACOSA-N 2 0 305.466 2.784 20 0 DFADRP C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)c1ccc2c(c1)C[NH2+]C2 ZINC000347537816 285072442 /nfs/dbraw/zinc/07/24/42/285072442.db2.gz RNLOIDJCCBWPNX-OAHLLOKOSA-N 2 0 315.461 2.674 20 0 DFADRP c1cn(-c2ccccc2C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)cn1 ZINC000422966992 296362082 /nfs/dbraw/zinc/36/20/82/296362082.db2.gz OMDQITZBSWOJEJ-OKZBNKHCSA-N 2 0 310.445 2.883 20 0 DFADRP C[C@@H]1C[N@H+](C)CC[C@H]1N(C)c1nc2ccccc2n2cncc12 ZINC000624024462 399527528 /nfs/dbraw/zinc/52/75/28/399527528.db2.gz LAUGGZZUUIRHAC-UKRRQHHQSA-N 2 0 309.417 2.659 20 0 DFADRP C[C@@H](NC[C@H](c1ccco1)[NH+]1CCCCC1)[C@H]1CCCC[NH2+]1 ZINC000422967919 296362718 /nfs/dbraw/zinc/36/27/18/296362718.db2.gz UZJBNXFMYNYWBK-BRWVUGGUSA-N 2 0 305.466 2.927 20 0 DFADRP C[C@@H]([NH3+])C[C@@H](C)[NH2+]CCc1nc(-c2cccc(Cl)c2)no1 ZINC000422976440 296363271 /nfs/dbraw/zinc/36/32/71/296363271.db2.gz DEZFZBLVNUNEOB-GHMZBOCLSA-N 2 0 308.813 2.648 20 0 DFADRP [NH3+]C[C@@H]1CCC[C@H]1[NH2+]Cc1ccc(COC2CCOCC2)cc1 ZINC000422965510 296362274 /nfs/dbraw/zinc/36/22/74/296362274.db2.gz LERQNYDTHFPAFJ-PKOBYXMFSA-N 2 0 318.461 2.599 20 0 DFADRP CC(C)[N@H+](C)CCCN[C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422969293 296362631 /nfs/dbraw/zinc/36/26/31/296362631.db2.gz ZOLSICKVHBKRRQ-IEBWSBKVSA-N 2 0 317.477 2.562 20 0 DFADRP COCCC1(C[NH2+][C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)CC1 ZINC000422988194 296364360 /nfs/dbraw/zinc/36/43/60/296364360.db2.gz INNXTUMTAMITOG-LPHOPBHVSA-N 2 0 316.445 2.649 20 0 DFADRP CCCOc1ccc(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)cn1 ZINC000422981440 296363890 /nfs/dbraw/zinc/36/38/90/296363890.db2.gz SUYKFIKLTCWLPI-IXDOHACOSA-N 2 0 303.450 2.881 20 0 DFADRP Cc1ccc([C@@H](Cn2ccnc2)[NH2+][C@H](C)CCC[NH3+])c(C)c1 ZINC000422997402 296365250 /nfs/dbraw/zinc/36/52/50/296365250.db2.gz OAXHQKCMLWXRRR-SJLPKXTDSA-N 2 0 300.450 2.958 20 0 DFADRP CC(C)[NH+]1CCC(N[C@@H]2CC[NH2+][C@@H](c3ccccc3)C2)CC1 ZINC000422996742 296365268 /nfs/dbraw/zinc/36/52/68/296365268.db2.gz UFUPWSBGGRRKDN-RTBURBONSA-N 2 0 301.478 2.942 20 0 DFADRP [NH3+][C@@H]1CCCCC[C@H]1[NH2+]CCOc1ccc(C(F)(F)F)cn1 ZINC000422992919 296365023 /nfs/dbraw/zinc/36/50/23/296365023.db2.gz SBUKHIDXVAEYCQ-CHWSQXEVSA-N 2 0 317.355 2.729 20 0 DFADRP CCc1ccc([C@@H](CO)[NH2+][C@H](C)c2ccc(C[NH3+])nc2C)cc1 ZINC000422997747 296365620 /nfs/dbraw/zinc/36/56/20/296365620.db2.gz BTSHBFKTGNDDTQ-AUUYWEPGSA-N 2 0 313.445 2.795 20 0 DFADRP CCOc1cc(Cl)ccc1C[NH2+][C@@H](CCC[NH3+])COC ZINC000423004437 296366365 /nfs/dbraw/zinc/36/63/65/296366365.db2.gz OYMAGRYCRHYUTJ-AWEZNQCLSA-N 2 0 300.830 2.582 20 0 DFADRP c1nc(C2CC2)ncc1CC[NH2+][C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1 ZINC000423008470 296366927 /nfs/dbraw/zinc/36/69/27/296366927.db2.gz AJIVELHKDFROLH-RCCFBDPRSA-N 2 0 314.477 2.797 20 0 DFADRP CC(C)C[C@H]([NH2+][C@@H](C)CCCC[NH3+])C(=O)Nc1nccs1 ZINC000423014137 296367708 /nfs/dbraw/zinc/36/77/08/296367708.db2.gz HJTXGXXVPBIEQO-STQMWFEESA-N 2 0 312.483 2.603 20 0 DFADRP COc1ccc([C@@H](OC)[C@@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000423015167 296367767 /nfs/dbraw/zinc/36/77/67/296367767.db2.gz KCONTTGERFBLDT-RFOFUXHYSA-N 2 0 304.434 2.644 20 0 DFADRP Cc1nn(C)c(C)c1CCC[NH2+][C@@H](Cc1ccccc1)[C@H](C)[NH3+] ZINC000423010959 296367479 /nfs/dbraw/zinc/36/74/79/296367479.db2.gz AKRKMNPJHZDMGP-LIRRHRJNSA-N 2 0 314.477 2.518 20 0 DFADRP [NH3+]C1CCC([NH2+][C@H]2CCN(c3ccc(Cl)c(F)c3)C2)CC1 ZINC000423022749 296369016 /nfs/dbraw/zinc/36/90/16/296369016.db2.gz IJUINJXBHVDMSU-BPCQOVAHSA-N 2 0 311.832 2.917 20 0 DFADRP [NH3+]C[C@@H]1CCC[C@H]1[NH2+][C@@H]1CCN(c2ccc(Cl)c(F)c2)C1 ZINC000423021460 296369033 /nfs/dbraw/zinc/36/90/33/296369033.db2.gz FEONPFSPEKYNBM-HWWQOWPSSA-N 2 0 311.832 2.775 20 0 DFADRP COc1ccc(C[C@H](C)C[NH2+][C@H]2CCC[C@@H]2C[NH3+])cc1OC ZINC000423020924 296369046 /nfs/dbraw/zinc/36/90/46/296369046.db2.gz DEPBQCMJKDGRPK-IMJJTQAJSA-N 2 0 306.450 2.599 20 0 DFADRP COC[C@H](CCC[NH3+])[NH2+][C@@H]1CCCOc2cc(Cl)ccc21 ZINC000423024036 296369078 /nfs/dbraw/zinc/36/90/78/296369078.db2.gz ILAHPLCZAKTPCX-DZGCQCFKSA-N 2 0 312.841 2.897 20 0 DFADRP COc1ccc(C[C@H](C)C[NH2+][C@H]2CCCC[C@H]2C[NH3+])cc1OC ZINC000423025859 296369139 /nfs/dbraw/zinc/36/91/39/296369139.db2.gz PGQADBQAQZYKMU-XIRDDKMYSA-N 2 0 320.477 2.990 20 0 DFADRP COc1ccccc1OC[C@H](C)C[NH2+][C@H](C)[C@@H]1CCCC[NH2+]1 ZINC000423024334 296369236 /nfs/dbraw/zinc/36/92/36/296369236.db2.gz LMTGGNNTEBAURV-OAGGEKHMSA-N 2 0 306.450 2.830 20 0 DFADRP COc1ccc(C[C@H](C)C[NH2+][C@@H]2CCCC[C@H]2C[NH3+])cc1OC ZINC000423025855 296369305 /nfs/dbraw/zinc/36/93/05/296369305.db2.gz PGQADBQAQZYKMU-BHYGNILZSA-N 2 0 320.477 2.990 20 0 DFADRP [NH3+]C[C@H]1CCC[C@@H]1[NH2+]CCCc1nc(-c2ccc(F)cc2)no1 ZINC000423027005 296369343 /nfs/dbraw/zinc/36/93/43/296369343.db2.gz CQJUTWAXLACEKY-HIFRSBDPSA-N 2 0 318.396 2.525 20 0 DFADRP CN1CC[C@H]([NH2+][C@H]2CCC[NH2+]CC2)[C@H]1c1ccc(Cl)cc1 ZINC000423017986 296368527 /nfs/dbraw/zinc/36/85/27/296368527.db2.gz XUSWPAMHWIXJEZ-YESZJQIVSA-N 2 0 307.869 2.817 20 0 DFADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]CC1([C@@H](C)CCO)CCC1 ZINC000423018085 296368553 /nfs/dbraw/zinc/36/85/53/296368553.db2.gz QFBDCEWAAFDDIU-KBPBESRZSA-N 2 0 305.466 2.688 20 0 DFADRP C[C@H]([NH2+][C@@H]1CCO[C@@H]1c1ccc(Cl)c(F)c1)[C@H]1CC[NH2+]C1 ZINC000423019446 296368569 /nfs/dbraw/zinc/36/85/69/296368569.db2.gz VRBLYJBDJOGLFZ-GDJRKYJOSA-N 2 0 312.816 2.897 20 0 DFADRP CC[C@H](CSC)[NH2+][C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423019174 296368607 /nfs/dbraw/zinc/36/86/07/296368607.db2.gz UICKGAAAITZEDN-UNEWFSDZSA-N 2 0 306.475 2.974 20 0 DFADRP [NH3+][C@H]1CCC[C@H]1[NH2+]CCOCc1ccc(Cl)cc1Cl ZINC000423035840 296370165 /nfs/dbraw/zinc/37/01/65/296370165.db2.gz ZNHUGPOCBSZQTB-UONOGXRCSA-N 2 0 303.233 2.979 20 0 DFADRP CC(C)[NH+]1CCN(c2cccc(N[C@@H]3CCC[NH2+]CC3)c2)CC1 ZINC000423035847 296370283 /nfs/dbraw/zinc/37/02/83/296370283.db2.gz ZOCVDKVVKDJOBL-QGZVFWFLSA-N 2 0 316.493 2.771 20 0 DFADRP CC(C)[NH+]1CCN(c2cccc(N[C@@H](C)C[C@@H](C)[NH3+])c2)CC1 ZINC000423028838 296369630 /nfs/dbraw/zinc/36/96/30/296369630.db2.gz RKRMVJKUTRMSSZ-CVEARBPZSA-N 2 0 304.482 2.755 20 0 DFADRP C[C@@H](CCC[NH3+])[NH2+][C@H](c1ccn(C)n1)c1ccc(Cl)cc1 ZINC000423037310 296370548 /nfs/dbraw/zinc/37/05/48/296370548.db2.gz MPTDQKWZUKBDHX-LRDDRELGSA-N 2 0 306.841 2.880 20 0 DFADRP CC(C)N1CC[C@H]([NH2+][C@@H](C)C2C[NH2+]C2)[C@@H]1c1ccc(F)c(F)c1 ZINC000423042611 296370913 /nfs/dbraw/zinc/37/09/13/296370913.db2.gz LKGBYHOMNMCMAJ-IGNZVWTISA-N 2 0 323.431 2.686 20 0 DFADRP Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)[NH2+][C@H]1CCC[NH2+]CC1 ZINC000423041741 296371037 /nfs/dbraw/zinc/37/10/37/296371037.db2.gz JQALCHXDDYZTLI-GWCFXTLKSA-N 2 0 318.387 2.855 20 0 DFADRP Cc1nc(C[NH3+])ccc1[C@@H](C)N[C@@H](C)C[NH+]1CCCCCC1 ZINC000423045046 296371407 /nfs/dbraw/zinc/37/14/07/296371407.db2.gz BGBZAZSMRBSQAT-LSDHHAIUSA-N 2 0 304.482 2.764 20 0 DFADRP CCC[N@H+](C)CC(C)(C)NC(=O)c1ccc(C[NH+](C)C)cc1 ZINC000620623740 399547128 /nfs/dbraw/zinc/54/71/28/399547128.db2.gz GTWCWEWFIWFSAD-UHFFFAOYSA-N 2 0 305.466 2.598 20 0 DFADRP Cc1cccc(C[C@H](CO)[NH2+][C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)c1 ZINC000423053563 296372485 /nfs/dbraw/zinc/37/24/85/296372485.db2.gz ARJNPHIIAKQXGI-IYWMVGAKSA-N 2 0 316.489 2.799 20 0 DFADRP Cc1cccc(C[C@H](CO)[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)c1 ZINC000423053562 296372560 /nfs/dbraw/zinc/37/25/60/296372560.db2.gz ARJNPHIIAKQXGI-FUMNGEBKSA-N 2 0 316.489 2.799 20 0 DFADRP CC[C@H]([NH2+]CCc1cn(C)c2cc(F)ccc12)[C@@H]1CCC[NH2+]1 ZINC000423050703 296372109 /nfs/dbraw/zinc/37/21/09/296372109.db2.gz LULLUHLLXOFKQO-IRXDYDNUSA-N 2 0 303.425 2.980 20 0 DFADRP C[C@@H]([NH2+][C@@H](C)[C@H]1CCC[NH2+]C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000423051075 296372305 /nfs/dbraw/zinc/37/23/05/296372305.db2.gz ZTLDLFOZVFRSIC-KVPLUYHFSA-N 3 0 315.505 2.875 20 0 DFADRP C[C@H]([NH3+])[C@H]1COCC[C@@H]1[NH2+]CCCCCc1ccc(F)cc1 ZINC000423057967 296373277 /nfs/dbraw/zinc/37/32/77/296373277.db2.gz BDBRNRHABVZYFL-QGTPRVQTSA-N 2 0 308.441 2.880 20 0 DFADRP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+]C[C@]1(O)CCC[C@@H](C(F)(F)F)C1 ZINC000423062051 296373547 /nfs/dbraw/zinc/37/35/47/296373547.db2.gz SEEMRGZFIMIAOU-MQYQWHSLSA-N 2 0 308.388 2.720 20 0 DFADRP C[C@H]([NH3+])C[C@H](C)[NH2+][C@@H]1CCN(c2ccccc2C(F)(F)F)C1 ZINC000423066778 296374217 /nfs/dbraw/zinc/37/42/17/296374217.db2.gz XVTSTXHPCCICIM-RWMBFGLXSA-N 2 0 315.383 3.000 20 0 DFADRP C[C@@H](NC[C@@]1(C)CCC[N@@H+]1Cc1ccccc1)[C@@H]1CCC[NH2+]1 ZINC000423067126 296374493 /nfs/dbraw/zinc/37/44/93/296374493.db2.gz YNKPJQDKDIJFAV-NZSAHSFTSA-N 2 0 301.478 2.771 20 0 DFADRP C[C@@H]([NH2+]CCc1cn(C)c2cc(Cl)ccc12)[C@H]1CC[NH2+]C1 ZINC000423063260 296373752 /nfs/dbraw/zinc/37/37/52/296373752.db2.gz OKRMHNNIGIFCIS-OLZOCXBDSA-N 2 0 305.853 2.962 20 0 DFADRP CC[C@H](C)C[NH+]1CCC(C(=O)NCCC[NH+]2CCCCC2)CC1 ZINC000120209828 195120025 /nfs/dbraw/zinc/12/00/25/195120025.db2.gz FZYURMZAESQGEB-KRWDZBQOSA-N 2 0 323.525 2.737 20 0 DFADRP CC(C)[NH+]1CCC(O)(C[NH2+]C2CC(c3ccc(F)cc3)C2)CC1 ZINC000272993730 210373965 /nfs/dbraw/zinc/37/39/65/210373965.db2.gz XPILTVNNYACBCQ-UHFFFAOYSA-N 2 0 320.452 2.897 20 0 DFADRP C[C@H]([NH3+])C[C@H](C)[NH2+]C[C@@]1(Cc2ccc(F)cc2)CCC[C@@H]1O ZINC000423071639 296375077 /nfs/dbraw/zinc/37/50/77/296375077.db2.gz GADHVDVQZNBWBX-USJZOSNVSA-N 2 0 308.441 2.615 20 0 DFADRP Cc1ccc(C[NH2+][C@H](C)CCCC[NH3+])c(-n2cc(Cl)cn2)n1 ZINC000423069823 296374692 /nfs/dbraw/zinc/37/46/92/296374692.db2.gz MILQPRBIKJZPLQ-GFCCVEGCSA-N 2 0 321.856 2.836 20 0 DFADRP C[C@H](CCCC[NH3+])[NH2+]C[C@H]1CSCCN1Cc1ccccc1 ZINC000423070272 296374792 /nfs/dbraw/zinc/37/47/92/296374792.db2.gz CKYPQOKNCLRUDL-AEFFLSMTSA-N 2 0 321.534 2.711 20 0 DFADRP C[C@H]([NH3+])C[C@H](C)[NH2+]C[C@]1(Cc2ccc(F)cc2)CCC[C@@H]1O ZINC000423071637 296374865 /nfs/dbraw/zinc/37/48/65/296374865.db2.gz GADHVDVQZNBWBX-DFEHZGFQSA-N 2 0 308.441 2.615 20 0 DFADRP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]C[C@](C)(O)C1CCCCC1 ZINC000423082994 296376307 /nfs/dbraw/zinc/37/63/07/296376307.db2.gz XZJIRSOCOCPKAJ-SNRMKQJTSA-N 2 0 304.478 2.866 20 0 DFADRP CCCOc1ccc(C[NH2+][C@@H]2CCOC[C@H]2[C@@H](C)[NH3+])c(C)c1 ZINC000423076154 296375600 /nfs/dbraw/zinc/37/56/00/296375600.db2.gz YGSUWTJQRGZRSL-FHLIZLRMSA-N 2 0 306.450 2.626 20 0 DFADRP Cc1noc(C[C@@H]([NH2+][C@@H](C)CCCC[NH3+])c2ccccc2)n1 ZINC000423077327 296375621 /nfs/dbraw/zinc/37/56/21/296375621.db2.gz SYAALNVXFQKSKL-XJKSGUPXSA-N 2 0 302.422 2.769 20 0 DFADRP C[C@@H](CCn1cccn1)[NH2+]CC1CCN(c2cc[nH+]cc2)CC1 ZINC000158998760 197318145 /nfs/dbraw/zinc/31/81/45/197318145.db2.gz SFAQGTBWMPICHQ-INIZCTEOSA-N 2 0 313.449 2.563 20 0 DFADRP C[C@@H]([NH3+])C[C@@H](C)NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000423091307 296377038 /nfs/dbraw/zinc/37/70/38/296377038.db2.gz ZWBJRLJBHHGJHM-IENTYSSBSA-N 2 0 307.404 2.507 20 0 DFADRP OCC1(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)CC2(CCC2)C1 ZINC000423089247 296377154 /nfs/dbraw/zinc/37/71/54/296377154.db2.gz RVPYBIBIECYWQB-BRWVUGGUSA-N 2 0 306.494 2.830 20 0 DFADRP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1[NH2+][C@@H]1CC[C@H](c2ccc(F)cc2)C1 ZINC000423083339 296376346 /nfs/dbraw/zinc/37/63/46/296376346.db2.gz FVNHFBSIGPPRKL-QZOZAFJCSA-N 2 0 306.425 2.804 20 0 DFADRP C[C@H]([NH3+])[C@@H]1COCC[C@H]1[NH2+][C@H]1C[C@H](c2ccc(Cl)cc2)C1 ZINC000423095650 296377907 /nfs/dbraw/zinc/37/79/07/296377907.db2.gz MUVAVHKRGFQHIY-MUMJOVGASA-N 2 0 308.853 2.928 20 0 DFADRP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1[NH2+][C@@H]1CC[C@@H](c2ccccc2F)C1 ZINC000423092472 296377558 /nfs/dbraw/zinc/37/75/58/296377558.db2.gz BZKHGYQLDZFMEU-DHFFPCJSSA-N 2 0 306.425 2.804 20 0 DFADRP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1[NH2+][C@H]1CC[C@H](c2ccccc2F)C1 ZINC000423092474 296377623 /nfs/dbraw/zinc/37/76/23/296377623.db2.gz BZKHGYQLDZFMEU-NZEYMJGSSA-N 2 0 306.425 2.804 20 0 DFADRP C[C@@H]1CN(C)C[C@H]1[NH2+]Cc1ccccc1C[NH+]1CCC(C)CC1 ZINC000347683485 285128737 /nfs/dbraw/zinc/12/87/37/285128737.db2.gz JEZYUQFGCCHCMD-YLJYHZDGSA-N 2 0 315.505 2.958 20 0 DFADRP CO[C@@H]1C[C@H](c2ccccc2)CC[C@@H]1[NH2+][C@@H](C)[C@@H]1CC[NH2+]C1 ZINC000423101452 296378543 /nfs/dbraw/zinc/37/85/43/296378543.db2.gz CXZRHNGPMWLEQL-SXXASDTRSA-N 2 0 302.462 2.925 20 0 DFADRP CC(C)SCC[NH2+][C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423103289 296378554 /nfs/dbraw/zinc/37/85/54/296378554.db2.gz GGTRQFVTIFEMAE-NVXWUHKLSA-N 2 0 306.475 2.974 20 0 DFADRP C[C@H]([NH2+][C@H](c1cncc(Br)c1)C1CC1)[C@@H]1CC[NH2+]C1 ZINC000423104390 296378718 /nfs/dbraw/zinc/37/87/18/296378718.db2.gz MBWRKKBQBDVGBH-NVBFEUDRSA-N 2 0 324.266 2.883 20 0 DFADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccncc1OCC(F)(F)F ZINC000423106372 296379098 /nfs/dbraw/zinc/37/90/98/296379098.db2.gz RLGIUFCYGMTIOF-AAEUAGOBSA-N 2 0 317.355 2.630 20 0 DFADRP C[C@@H]([NH2+]C[C@H]1CCCC[N@H+](C)C1)c1ccc2c(c1)OCCO2 ZINC000624119719 399559248 /nfs/dbraw/zinc/55/92/48/399559248.db2.gz HZKHECUYCYRDQE-HUUCEWRRSA-N 2 0 304.434 2.840 20 0 DFADRP COc1cccc(OC(F)(F)F)c1C[NH2+]C1CCC([NH3+])CC1 ZINC000423105000 296378943 /nfs/dbraw/zinc/37/89/43/296378943.db2.gz HZTUKHNPZMIZJD-UHFFFAOYSA-N 2 0 318.339 2.953 20 0 DFADRP FC(F)Oc1cc(C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)ccn1 ZINC000423106152 296378993 /nfs/dbraw/zinc/37/89/93/296378993.db2.gz OKUQFAYAXZMBHG-BFHYXJOUSA-N 2 0 311.376 2.693 20 0 DFADRP C[C@@H]([NH2+]C(C)(C)CNC(=O)[C@@]1(C)CCC[NH2+]C1)c1ccccc1 ZINC000120247454 195126584 /nfs/dbraw/zinc/12/65/84/195126584.db2.gz AASAJTOLXNMLJU-BEFAXECRSA-N 2 0 317.477 2.622 20 0 DFADRP C[C@](CO)(C[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1)c1ccccc1 ZINC000423110608 296379531 /nfs/dbraw/zinc/37/95/31/296379531.db2.gz PGZUZQCLLPYDMO-VNTMZGSJSA-N 2 0 316.489 2.837 20 0 DFADRP CC(C)[N@@H+](C)C[C@@H](C)N[C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423119138 296380641 /nfs/dbraw/zinc/38/06/41/296380641.db2.gz BGXKZJYVUUHIOS-SUMDDJOVSA-N 2 0 317.477 2.561 20 0 DFADRP C[C@H](C[C@H]1COCCN1)[NH2+]CCCc1c[nH]c2ccc(F)cc12 ZINC000423118207 296380815 /nfs/dbraw/zinc/38/08/15/296380815.db2.gz ZICBYAORUBVJDH-CJNGLKHVSA-N 2 0 319.424 2.596 20 0 DFADRP C[C@H]([NH3+])[C@@H]1COCC[C@H]1[NH2+][C@H]1CCc2sc(Cl)cc21 ZINC000423123864 296381511 /nfs/dbraw/zinc/38/15/11/296381511.db2.gz NPFYSERIUKQYSD-PDEGPIFNSA-N 2 0 300.855 2.731 20 0 DFADRP Cc1ccc(C(C)(C)C[NH2+][C@@H]2CCOC[C@@H]2[C@@H](C)[NH3+])c(C)c1 ZINC000423124362 296381536 /nfs/dbraw/zinc/38/15/36/296381536.db2.gz GIHZXVVHHXWHAZ-JFIYKMOQSA-N 2 0 304.478 2.923 20 0 DFADRP c1ccc2c(c1)CC1(CCOCC1)[C@H]2[NH2+][C@H]1CCC[NH2+]CC1 ZINC000423131141 296382248 /nfs/dbraw/zinc/38/22/48/296382248.db2.gz ZHDRYOGVASRLIP-WMZOPIPTSA-N 2 0 300.446 2.812 20 0 DFADRP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+]CCc1cc(C(F)(F)F)ccn1 ZINC000423133505 296382675 /nfs/dbraw/zinc/38/26/75/296382675.db2.gz KVLNATDAOBYMBY-KGLIPLIRSA-N 2 0 301.356 2.893 20 0 DFADRP CC(C)Oc1ccc([C@H](CN[C@@H]2C[NH2+]CC[C@H]2C)[NH+](C)C)cc1 ZINC000423134103 296382758 /nfs/dbraw/zinc/38/27/58/296382758.db2.gz WLTAFLXVQUNFID-LZQZEXGQSA-N 2 0 319.493 2.664 20 0 DFADRP FC1(F)CC(C[NH2+][C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)C1 ZINC000423135103 296382891 /nfs/dbraw/zinc/38/28/91/296382891.db2.gz SONKFDNRRDDVKT-ZBFHGGJFSA-N 2 0 308.372 2.877 20 0 DFADRP C[C@H]([NH3+])C[C@H](C)[NH2+][C@H]1CCCN([C@@H](C)c2ccc(F)cc2)C1=O ZINC000423137254 296383097 /nfs/dbraw/zinc/38/30/97/296383097.db2.gz QJYDMRXPJOHHGI-WSMBLCCSSA-N 2 0 321.440 2.593 20 0 DFADRP Fc1ccccc1N1CC[C@H]([NH2+][C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)C1 ZINC000423136976 296383120 /nfs/dbraw/zinc/38/31/20/296383120.db2.gz VPRNCSMFIOVXND-CWLKWCNXSA-N 2 0 317.452 2.915 20 0 DFADRP Fc1ccccc1N1CC[C@@H](C[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000423132717 296382504 /nfs/dbraw/zinc/38/25/04/296382504.db2.gz CAEBKAPJNIGGHJ-LSVZVQIISA-N 2 0 303.425 2.525 20 0 DFADRP C[C@H]([NH2+]Cc1ccn(C)c1)c1ccc(OCC[NH+](C)C)cc1 ZINC000158446249 197273199 /nfs/dbraw/zinc/27/31/99/197273199.db2.gz IVMGYTVWXXDZBW-HNNXBMFYSA-N 2 0 301.434 2.816 20 0 DFADRP C[C@@H]1CC[NH2+]C[C@@H]1NCCc1cnc(SC2CCCC2)nc1 ZINC000423137822 296383433 /nfs/dbraw/zinc/38/34/33/296383433.db2.gz RTTJLKXHFSRBKI-CJNGLKHVSA-N 2 0 320.506 2.641 20 0 DFADRP [NH3+]C[C@H]1CCC[C@@H]1[NH2+]Cc1c(Cl)cccc1-n1ccnc1 ZINC000423148694 296385003 /nfs/dbraw/zinc/38/50/03/296385003.db2.gz WIAIIWIVGHTOJI-DOMZBBRYSA-N 2 0 304.825 2.743 20 0 DFADRP Cc1nc(C[NH2+]C2CCC([NH3+])CC2)sc1Br ZINC000423157046 296386301 /nfs/dbraw/zinc/38/63/01/296386301.db2.gz MGZGZZQSTSRGBI-UHFFFAOYSA-N 2 0 304.257 2.574 20 0 DFADRP Cc1ccncc1C[NH2+][C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423154345 296385697 /nfs/dbraw/zinc/38/56/97/296385697.db2.gz OSANKCBPTNGYLE-PKOBYXMFSA-N 2 0 309.413 2.736 20 0 DFADRP CC[C@H](C)[C@H](C[NH2+][C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)OC ZINC000423154781 296385760 /nfs/dbraw/zinc/38/57/60/296385760.db2.gz IJQHOZPMYOLMEO-OYSPMZIOSA-N 2 0 318.461 2.893 20 0 DFADRP CCOC(=O)C1([C@H](C)[NH2+]C[C@@H]2CCC[C@@H]2CC)CC[NH2+]CC1 ZINC000423163471 296387071 /nfs/dbraw/zinc/38/70/71/296387071.db2.gz VMXNICAEGFCSLR-JYJNAYRXSA-N 2 0 310.482 2.724 20 0 DFADRP c1coc([C@@H]2C[C@H]2[NH2+][C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)c1 ZINC000423173832 296388217 /nfs/dbraw/zinc/38/82/17/296388217.db2.gz AGCYKOWODWLACA-JEWRLFTDSA-N 2 0 310.397 2.981 20 0 DFADRP CO[C@H]1c2ccccc2C[C@H]1[NH2+][C@H](C)c1ccc(C[NH3+])nc1C ZINC000423169457 296387934 /nfs/dbraw/zinc/38/79/34/296387934.db2.gz JYNORXMUPCLIOE-ZNOIYHFQSA-N 2 0 311.429 2.812 20 0 DFADRP COc1ccc(C[C@H]([NH2+]CCC[NH3+])c2ccc(OC)cc2)cc1 ZINC000423178976 296388918 /nfs/dbraw/zinc/38/89/18/296388918.db2.gz CLGSUWGUALCHRX-IBGZPJMESA-N 2 0 314.429 2.926 20 0 DFADRP C[C@@H]([NH2+]CCCN1CC[NH2+]CC1)c1ccccc1C(C)(C)C ZINC000423174622 296388327 /nfs/dbraw/zinc/38/83/27/296388327.db2.gz BMFWAFDCKKMCQG-MRXNPFEDSA-N 2 0 303.494 2.930 20 0 DFADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]C[C@@H](CO)c1ccc(F)cc1 ZINC000423177282 296388431 /nfs/dbraw/zinc/38/84/31/296388431.db2.gz GYQSNZMPYZLWES-HFTRVMKXSA-N 2 0 308.441 2.802 20 0 DFADRP COc1ccc([C@H](Cc2ccncc2)[NH2+]C2CC[NH2+]CC2)cc1 ZINC000423176447 296388633 /nfs/dbraw/zinc/38/86/33/296388633.db2.gz CKBJCKHHOXAPRW-IBGZPJMESA-N 2 0 311.429 2.716 20 0 DFADRP CC(C)Cc1cccc([C@H](C)[NH2+]CCCN2CC[NH2+]CC2)c1 ZINC000423180118 296388772 /nfs/dbraw/zinc/38/87/72/296388772.db2.gz IDWHUMICAUQRAE-KRWDZBQOSA-N 2 0 303.494 2.831 20 0 DFADRP Clc1ccc([C@@H]([NH2+]CCCN2CC[NH2+]CC2)C2CC2)cc1 ZINC000423180827 296388818 /nfs/dbraw/zinc/38/88/18/296388818.db2.gz OGNWVBVJLLEXGK-KRWDZBQOSA-N 2 0 307.869 2.676 20 0 DFADRP C[C@H](CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)NCC[NH3+] ZINC000423188811 296390012 /nfs/dbraw/zinc/39/00/12/296390012.db2.gz QLTQPEDVVMLSKL-MRVPVSSYSA-N 2 0 323.746 2.624 20 0 DFADRP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1NCC1([NH3+])CCCCC1 ZINC000423181753 296389242 /nfs/dbraw/zinc/38/92/42/296389242.db2.gz PKXJPMMNFHTVMV-SJLPKXTDSA-N 2 0 316.493 2.543 20 0 DFADRP Clc1ccc2c(c1)[C@@H]([NH2+]CCCN1CC[NH2+]CC1)CCCC2 ZINC000423182113 296389348 /nfs/dbraw/zinc/38/93/48/296389348.db2.gz PTVAIJSMMAAUQU-SFHVURJKSA-N 2 0 321.896 2.992 20 0 DFADRP C[NH2+]CCC[NH2+][C@@H]1CCc2c1ccc(F)c2Br ZINC000423199112 296391667 /nfs/dbraw/zinc/39/16/67/296391667.db2.gz JBZWYXLFMLDVOC-GFCCVEGCSA-N 2 0 301.203 2.775 20 0 DFADRP C[C@@H]([NH2+]CCN1CC[NH2+]CC1)c1cc(Cl)cc(Cl)c1 ZINC000423199253 296391689 /nfs/dbraw/zinc/39/16/89/296391689.db2.gz BBGGKMRIWJKCEA-LLVKDONJSA-N 2 0 302.249 2.549 20 0 DFADRP CCN(CC)C(=O)Nc1ccc([C@@H](C)[NH2+]CCC[NH2+]C)cc1 ZINC000423197926 296391492 /nfs/dbraw/zinc/39/14/92/296391492.db2.gz BZSXBHGUXRBMPV-CQSZACIVSA-N 2 0 306.454 2.820 20 0 DFADRP Cc1nn(C)c2sc([C@@H](C)[NH2+]C3C[C@H]4CC[C@@H](C3)[NH2+]4)cc12 ZINC000423211138 296392790 /nfs/dbraw/zinc/39/27/90/296392790.db2.gz HZPXUHDMRFAQSO-FKJOKYEKSA-N 2 0 304.463 2.877 20 0 DFADRP CC(C)(C)C[C@H]([NH2+]CCN1CC[NH2+]CC1)c1ccc(F)cc1 ZINC000423200674 296391873 /nfs/dbraw/zinc/39/18/73/296391873.db2.gz GGMKFGQFUNQJFI-KRWDZBQOSA-N 2 0 307.457 2.798 20 0 DFADRP COc1cc(C)c(C[C@@H](C)[NH2+]C[C@@H]2CCC[NH2+]C2)cc1OC ZINC000423215307 296393408 /nfs/dbraw/zinc/39/34/08/296393408.db2.gz QIFNAGJHMKWECH-HUUCEWRRSA-N 2 0 306.450 2.532 20 0 DFADRP Brc1cccc2c1C[C@H]([NH2+]C[C@@H]1CCC[NH2+]C1)CC2 ZINC000423215045 296393507 /nfs/dbraw/zinc/39/35/07/296393507.db2.gz QBECDALQNMFRRL-TZMCWYRMSA-N 2 0 323.278 2.896 20 0 DFADRP C[C@H](C(=O)Nc1ccccc1)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000157258135 197174022 /nfs/dbraw/zinc/17/40/22/197174022.db2.gz MVSOLIIJGMONMF-AEFFLSMTSA-N 2 0 315.461 2.964 20 0 DFADRP C[C@H](N[C@@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1)[C@H]1CCC[NH2+]C1 ZINC000423221665 296394064 /nfs/dbraw/zinc/39/40/64/296394064.db2.gz XNKLBJSJMYJUCO-GDAAHCPNSA-N 2 0 301.478 2.800 20 0 DFADRP CC(C)c1ccc([C@@H]([NH3+])CN[C@@H](C)c2ccc(=O)[nH]n2)cc1 ZINC000423243778 296396255 /nfs/dbraw/zinc/39/62/55/296396255.db2.gz NFHCESQLXRUCFZ-WFASDCNBSA-N 2 0 300.406 2.656 20 0 DFADRP [NH3+][C@H](CN[C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)c1ccccc1 ZINC000423244527 296396485 /nfs/dbraw/zinc/39/64/85/296396485.db2.gz HPHFSRRTKQBNQN-WSTZPKSXSA-N 2 0 323.440 2.532 20 0 DFADRP CCOC(=O)c1oc2c(c1C)[C@H]([NH2+]CC[C@H]1CC[NH2+]C1)CCC2 ZINC000423253176 296397127 /nfs/dbraw/zinc/39/71/27/296397127.db2.gz VMRDBKBSTMDBHH-ZIAGYGMSSA-N 2 0 320.433 2.731 20 0 DFADRP Cn1ccc([C@@H]([NH2+]CC[C@H]2CCC[NH2+]C2)c2ccc(F)cc2)n1 ZINC000423262693 296398282 /nfs/dbraw/zinc/39/82/82/296398282.db2.gz VVQXUKOMWBHNDU-KDOFPFPSSA-N 2 0 316.424 2.628 20 0 DFADRP Cc1ccc(-c2nc(C[NH2+]CCOCCC[NH3+])cs2)cc1 ZINC000629399536 399593595 /nfs/dbraw/zinc/59/35/95/399593595.db2.gz UCPBGTKPTSGYIV-UHFFFAOYSA-N 2 0 305.447 2.574 20 0 DFADRP CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@H]2CCC[C@H]2C[NH3+])c2ccccc21 ZINC000423271791 296399331 /nfs/dbraw/zinc/39/93/31/296399331.db2.gz JJIPLMOOCODLDG-NBMRYCAZSA-N 2 0 316.445 2.885 20 0 DFADRP C[C@H](C[NH2+]Cc1cn([C@H]2CC[NH2+]C2)nn1)CC1CCCCC1 ZINC000629407028 399595371 /nfs/dbraw/zinc/59/53/71/399595371.db2.gz VRUNFNQSJWPARF-YOEHRIQHSA-N 2 0 305.470 2.509 20 0 DFADRP C[C@@H]1[NH2+]CC[C@H]1NC1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000629407166 399595392 /nfs/dbraw/zinc/59/53/92/399595392.db2.gz WEOVMVRZCWFIBS-SUMWQHHRSA-N 2 0 307.869 2.644 20 0 DFADRP COc1cc([C@H](C)[NH2+][C@H]2CCCC[C@H]2C[NH3+])cc(OC)c1OC ZINC000423274223 296399612 /nfs/dbraw/zinc/39/96/12/296399612.db2.gz LRRIEKKQKQJCPQ-YDHLFZDLSA-N 2 0 322.449 2.881 20 0 DFADRP C[NH2+]C[C@@H](C)C[NH2+][C@H](Cc1ccncc1)c1ccc(OC)cc1 ZINC000423269127 296398783 /nfs/dbraw/zinc/39/87/83/296398783.db2.gz GQOKRIKBVAEDSK-DNVCBOLYSA-N 2 0 313.445 2.819 20 0 DFADRP C[NH2+]C[C@H](C)C[NH2+][C@@H](Cc1ccncc1)c1ccc(OC)cc1 ZINC000423269129 296398930 /nfs/dbraw/zinc/39/89/30/296398930.db2.gz GQOKRIKBVAEDSK-KXBFYZLASA-N 2 0 313.445 2.819 20 0 DFADRP C[NH2+]C[C@H](C)C[NH2+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000423275523 296399807 /nfs/dbraw/zinc/39/98/07/296399807.db2.gz NFPDLWNCQAKANW-MTFMMBMASA-N 3 0 315.505 2.732 20 0 DFADRP C[C@H]([NH3+])c1ccc(C[NH2+][C@H]2CCO[C@@H](C(F)(F)F)C2)cc1 ZINC000423290878 296401270 /nfs/dbraw/zinc/40/12/70/296401270.db2.gz FUHWQCQTYPHZHN-LEWSCRJBSA-N 2 0 302.340 2.906 20 0 DFADRP CC[NH+](CC)CCOC1CC[NH+](CC2(SC)CC2)CC1 ZINC000347848746 285205451 /nfs/dbraw/zinc/20/54/51/285205451.db2.gz IGWMQECJQUSTNI-UHFFFAOYSA-N 2 0 300.512 2.705 20 0 DFADRP C[C@H](C[NH3+])C[NH2+][C@H]1CCCOc2ccc(Br)cc21 ZINC000423299373 296402048 /nfs/dbraw/zinc/40/20/48/296402048.db2.gz PYWQVTKBPMMPBY-MFKMUULPSA-N 2 0 313.239 2.847 20 0 DFADRP Brc1ccc([C@@H]([NH2+]CC2C[NH2+]C2)C2CC2)s1 ZINC000423299742 296402106 /nfs/dbraw/zinc/40/21/06/296402106.db2.gz CEMFZWLBLYYZRU-LBPRGKRZSA-N 2 0 301.253 2.771 20 0 DFADRP C[C@@H]([NH2+]Cc1ccc(CN2CC[NH+](C)CC2)cc1)c1ccncc1 ZINC000156476848 197115839 /nfs/dbraw/zinc/11/58/39/197115839.db2.gz GCSLOZFVODRCHJ-QGZVFWFLSA-N 2 0 324.472 2.680 20 0 DFADRP [NH3+]C1C[C@H]2CCC[C@@H](C1)C2[NH2+][C@H]1CCO[C@H](C(F)(F)F)C1 ZINC000423319508 296403803 /nfs/dbraw/zinc/40/38/03/296403803.db2.gz ZZJFGSCSDSKWFO-YPJKKVEASA-N 2 0 306.372 2.592 20 0 DFADRP C[C@@H]([NH2+]C[C@]1(C)CCC[NH2+]C1)c1cccc(N2CCOCC2)c1 ZINC000423320016 296403895 /nfs/dbraw/zinc/40/38/95/296403895.db2.gz DXWGLESLCBITJG-VQIMIIECSA-N 2 0 317.477 2.564 20 0 DFADRP COCCOc1ccc([C@@H](C)[NH2+]C[C@@]2(C)CCC[NH2+]C2)cc1 ZINC000423322369 296404080 /nfs/dbraw/zinc/40/40/80/296404080.db2.gz GZNWYNQSDBLSGF-QAPCUYQASA-N 2 0 306.450 2.752 20 0 DFADRP CC[C@@H]([NH2+]CC1(C)CC[NH2+]CC1)c1ccc(C(=O)OC)cc1 ZINC000423321560 296404089 /nfs/dbraw/zinc/40/40/89/296404089.db2.gz GLNSKEMSTOVJIU-MRXNPFEDSA-N 2 0 304.434 2.904 20 0 DFADRP C[C@@H]([NH3+])c1ccc(C(=O)NCCCC[NH+]2CCC(C)CC2)cc1 ZINC000423334625 296405454 /nfs/dbraw/zinc/40/54/54/296405454.db2.gz QWJTYSMHJLVMRL-MRXNPFEDSA-N 2 0 317.477 2.948 20 0 DFADRP Brc1cc2c(s1)CC[C@@H]2[NH2+]C[C@@H]1CC[NH2+]C1 ZINC000423335463 296405489 /nfs/dbraw/zinc/40/54/89/296405489.db2.gz IWRCIWHRCWNROA-SCZZXKLOSA-N 2 0 301.253 2.697 20 0 DFADRP O[C@H]1C[C@@H](C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]3CCC[C@H]32)C1 ZINC000624216895 399600725 /nfs/dbraw/zinc/60/07/25/399600725.db2.gz UPBGDUFBYCPOKQ-PXTPFGJHSA-N 2 0 314.473 2.790 20 0 DFADRP C[C@H]1C[C@@H](C[NH2+]CC2=CCCOC2)C[N@@H+]1Cc1ccccc1 ZINC000120356299 195149730 /nfs/dbraw/zinc/14/97/30/195149730.db2.gz IBYUHPCGALODIJ-LPHOPBHVSA-N 2 0 300.446 2.833 20 0 DFADRP [NH3+][C@@H](CC1CCCCC1)C(=O)NC1CC[NH+](C2CCCC2)CC1 ZINC000423346929 296406911 /nfs/dbraw/zinc/40/69/11/296406911.db2.gz ZMICPBYBTWYHJS-SFHVURJKSA-N 2 0 321.509 2.807 20 0 DFADRP [NH3+][C@@H](C(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1)C1CCC1 ZINC000423356982 296408160 /nfs/dbraw/zinc/40/81/60/296408160.db2.gz RMTXPUZPDNGZHS-GOSISDBHSA-N 2 0 315.461 2.781 20 0 DFADRP C[C@@H]([NH3+])c1ccc(C(=O)NC[C@H](C)[NH+]2CCC(C)CC2)cc1 ZINC000423361271 296408449 /nfs/dbraw/zinc/40/84/49/296408449.db2.gz RJVCAGUITTZASO-LSDHHAIUSA-N 2 0 303.450 2.557 20 0 DFADRP CC(C)Oc1ccc([C@H](C)[NH2+][C@@H](C)CN2CC[NH+](C)CC2)cc1 ZINC000155060755 197017488 /nfs/dbraw/zinc/01/74/88/197017488.db2.gz PPKVBFRZVOEKCH-IRXDYDNUSA-N 2 0 319.493 2.760 20 0 DFADRP C[C@@H]([NH2+][C@@H](C)CN1CC[NH+](C)CC1)C(C)(C)c1ccccc1 ZINC000154905803 197004087 /nfs/dbraw/zinc/00/40/87/197004087.db2.gz DRIQEEWPENCAQX-DLBZAZTESA-N 2 0 303.494 2.578 20 0 DFADRP CC(C)[C@@H]1CCC[C@H]([NH2+]C[C@H](N2CC[NH2+]CC2)C(F)(F)F)C1 ZINC000423371570 296409857 /nfs/dbraw/zinc/40/98/57/296409857.db2.gz AKQBVTCMOYJLFG-ILXRZTDVSA-N 2 0 321.431 2.627 20 0 DFADRP CCc1ccc([C@H](CC)[NH2+][C@@H](C)CN2CC[NH+](C)CC2)cc1 ZINC000154991401 197011775 /nfs/dbraw/zinc/01/17/75/197011775.db2.gz COCKAFXYNDOKAD-LPHOPBHVSA-N 2 0 303.494 2.926 20 0 DFADRP Cn1nccc1[C@@H]1CCC[C@H]([NH2+]Cc2ccc3c(c2)C[NH2+]C3)C1 ZINC000423391750 296411553 /nfs/dbraw/zinc/41/15/53/296411553.db2.gz PREYUVOETXHLLG-QAPCUYQASA-N 2 0 310.445 2.839 20 0 DFADRP CC(C)CC[C@H]([NH2+]C[C@@H](N1CC[NH2+]CC1)C(F)(F)F)C1CC1 ZINC000423397591 296412294 /nfs/dbraw/zinc/41/22/94/296412294.db2.gz SPAREABEYJMBIH-LSDHHAIUSA-N 2 0 321.431 2.627 20 0 DFADRP CC(C)[C@H]([NH2+]C[C@H]1C[NH2+]C[C@H]1O)c1ccc(Cl)c(Cl)c1 ZINC000423398578 296412393 /nfs/dbraw/zinc/41/23/93/296412393.db2.gz DBWLTFCKDRHLDI-DFBGVHRSSA-N 2 0 317.260 2.860 20 0 DFADRP CCCN(CCC[NH+](C)C)C(=O)c1cccc(C[NH+](C)C)c1 ZINC000347906610 285236354 /nfs/dbraw/zinc/23/63/54/285236354.db2.gz NUKLJPHODVAJKF-UHFFFAOYSA-N 2 0 305.466 2.552 20 0 DFADRP COCC1(C[NH2+][C@H]2CSCCc3ccccc32)CC[NH2+]CC1 ZINC000423395224 296411996 /nfs/dbraw/zinc/41/19/96/296411996.db2.gz AEONQMKPICVJSC-KRWDZBQOSA-N 2 0 320.502 2.623 20 0 DFADRP COCC1(C[NH2+][C@H](CC(C)C)c2ccccn2)CC[NH2+]CC1 ZINC000423395222 296411999 /nfs/dbraw/zinc/41/19/99/296411999.db2.gz ADKWDYMBQPIXGC-QGZVFWFLSA-N 2 0 305.466 2.775 20 0 DFADRP OC1(C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)CCC1 ZINC000373129309 285240416 /nfs/dbraw/zinc/24/04/16/285240416.db2.gz YCULOELWBORTLS-NNZMDNLPSA-N 2 0 300.446 2.687 20 0 DFADRP CC[NH+]1CCC(CCNC(=O)c2ccc([C@@H](C)[NH3+])cc2)CC1 ZINC000423408566 296413543 /nfs/dbraw/zinc/41/35/43/296413543.db2.gz OWZGGQAVQDGUOL-CQSZACIVSA-N 2 0 303.450 2.558 20 0 DFADRP CC(C)[C@@H]1CCCC[C@@H]1[NH2+]C[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000423398429 296412568 /nfs/dbraw/zinc/41/25/68/296412568.db2.gz VJSBLCCCBIORCZ-SOUVJXGZSA-N 2 0 321.431 2.627 20 0 DFADRP O[C@@H]1CCN(CC[NH2+][C@H]2CC[C@@H](c3cccc(Cl)c3)C2)C1 ZINC000624231087 399607571 /nfs/dbraw/zinc/60/75/71/399607571.db2.gz PERHMYAJPCIWKL-HYVNUMGLSA-N 2 0 308.853 2.632 20 0 DFADRP CCCN(CCC[NH+](C)C)C(=O)[C@H](c1ccccc1)[N@H+](C)CC ZINC000347909885 285238722 /nfs/dbraw/zinc/23/87/22/285238722.db2.gz QRZCDDAVFCICEN-SFHVURJKSA-N 2 0 319.493 2.870 20 0 DFADRP COCC1(C[NH2+][C@H]2CCC[C@@H](c3cccnc3)C2)CC[NH2+]CC1 ZINC000423403494 296413114 /nfs/dbraw/zinc/41/31/14/296413114.db2.gz HXACFRBNFVAGDV-AEFFLSMTSA-N 2 0 317.477 2.714 20 0 DFADRP COc1ccc(C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)c(C)c1OC ZINC000347911103 285239676 /nfs/dbraw/zinc/23/96/76/285239676.db2.gz KQFAFOHJEUMNFF-SJORKVTESA-N 2 0 318.461 2.928 20 0 DFADRP CCCN(CCC[NH+](C)C)C(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC000347914954 285242236 /nfs/dbraw/zinc/24/22/36/285242236.db2.gz OFCAJHLVWCNUJI-QGZVFWFLSA-N 2 0 311.514 2.687 20 0 DFADRP COC[C@@H]([NH2+][C@H](C)c1ccc(OCC[NH+](C)C)cc1)C1CC1 ZINC000090717284 285242575 /nfs/dbraw/zinc/24/25/75/285242575.db2.gz ZEUUZGUDRXWHHJ-RDTXWAMCSA-N 2 0 306.450 2.703 20 0 DFADRP C[C@@H]([NH3+])c1ccc(C(=O)N2CCC[C@H]([NH+]3CCCC3)CC2)cc1 ZINC000423415879 296414940 /nfs/dbraw/zinc/41/49/40/296414940.db2.gz BMPGALBTADIMDA-QAPCUYQASA-N 2 0 315.461 2.797 20 0 DFADRP COc1ccccc1NC(=O)C[C@@H](C)[NH2+][C@H](C)CCCC[NH3+] ZINC000423429250 296415747 /nfs/dbraw/zinc/41/57/47/296415747.db2.gz KCKUJRFNJVXGBL-ZIAGYGMSSA-N 2 0 307.438 2.519 20 0 DFADRP [NH3+][C@H](CC1CCCCC1)C(=O)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000423430356 296416201 /nfs/dbraw/zinc/41/62/01/296416201.db2.gz UHMITFNLTFECFS-QZTJIDSGSA-N 2 0 321.509 2.761 20 0 DFADRP C[C@H]([NH2+]C[C@H]1CCC[C@H]([NH3+])C1)c1ccc(C(=O)N(C)C)cc1 ZINC000423459982 296418242 /nfs/dbraw/zinc/41/82/42/296418242.db2.gz APKCUADIFDPBOT-ZQIUZPCESA-N 2 0 303.450 2.557 20 0 DFADRP CC[C@@H](C)NC(=O)[C@@H](C)[NH2+]Cc1ccccc1C[NH+](CC)CC ZINC000073737121 542464746 /nfs/dbraw/zinc/46/47/46/542464746.db2.gz IMTPUWZJZBWPCP-HZPDHXFCSA-N 2 0 319.493 2.921 20 0 DFADRP Cc1cc(N)cc(C[NH2+][C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)c1 ZINC000423481253 296420742 /nfs/dbraw/zinc/42/07/42/296420742.db2.gz PZTXFLIEUHWGMK-UYAOXDASSA-N 2 0 323.440 2.923 20 0 DFADRP Cc1noc(CCC[NH2+][C@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)n1 ZINC000347943316 285261276 /nfs/dbraw/zinc/26/12/76/285261276.db2.gz WQLQFPIDOXRAOI-HIFRSBDPSA-N 2 0 306.454 2.553 20 0 DFADRP C[NH2+][C@H](CC(C)(C)C)C(=O)NC[C@H](c1cccc(F)c1)[NH+](C)C ZINC000449064603 297399299 /nfs/dbraw/zinc/39/92/99/297399299.db2.gz VHVOKNAFFCJTNC-HZPDHXFCSA-N 2 0 323.456 2.569 20 0 DFADRP COCC[C@H](Cc1cccc(F)c1)[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000423540013 296427825 /nfs/dbraw/zinc/42/78/25/296427825.db2.gz JEYBTGZJMPOVRN-PSBWJHGTSA-N 2 0 320.452 2.751 20 0 DFADRP Cn1cc([C@H]([NH2+]CCC2=CC[NH2+]CC2)c2cccc(F)c2)cn1 ZINC000423543197 296428370 /nfs/dbraw/zinc/42/83/70/296428370.db2.gz UQRIRYZSBSNTBD-GOSISDBHSA-N 2 0 314.408 2.548 20 0 DFADRP CC(C)[C@@H]([NH2+]CCC[NH2+]C1CC1)c1ccc2[nH]c(=O)oc2c1 ZINC000423546495 296428558 /nfs/dbraw/zinc/42/85/58/296428558.db2.gz FJAWAEFOHIUTCN-MRXNPFEDSA-N 2 0 303.406 2.962 20 0 DFADRP Cc1cc(C)cc([C@H](C)[NH2+]C[C@@H](C)CN2CC[NH+](C)CC2)c1 ZINC000120789238 195239162 /nfs/dbraw/zinc/23/91/62/195239162.db2.gz NPGQMAWTYSSKPS-MSOLQXFVSA-N 2 0 303.494 2.838 20 0 DFADRP Cc1cc([C@@H](C)[NH2+]C[C@H](C)CN2CC[NH+](C)CC2)c(C)s1 ZINC000120823289 195244307 /nfs/dbraw/zinc/24/43/07/195244307.db2.gz UPECJOYMJGWHRO-DZGCQCFKSA-N 2 0 309.523 2.899 20 0 DFADRP OC[C@H]1CCC[N@@H+]1CCCC[NH2+][C@@H]1CCCc2sccc21 ZINC000305164721 285290379 /nfs/dbraw/zinc/29/03/79/285290379.db2.gz XYRCJSRUGYKQGB-GDBMZVCRSA-N 2 0 308.491 2.952 20 0 DFADRP C[C@H]([NH2+]Cc1ccc(OCC[NH+]2CCCC2)cc1)[C@@H]1CCCO1 ZINC000075782536 542473703 /nfs/dbraw/zinc/47/37/03/542473703.db2.gz AAHPVEXBDODNOH-LPHOPBHVSA-N 2 0 318.461 2.818 20 0 DFADRP C[NH+](C)Cc1cccc(NC(=O)NCCC[NH+]2CCCCC2)c1 ZINC000076129925 542475074 /nfs/dbraw/zinc/47/50/74/542475074.db2.gz RCXPIKZFZVQSPG-UHFFFAOYSA-N 2 0 318.465 2.746 20 0 DFADRP FC(F)(F)C1(C[NH2+]C2CCN([C@@H]3CCOC3)CC2)CCCC1 ZINC000624274323 399624757 /nfs/dbraw/zinc/62/47/57/399624757.db2.gz WLCYGXJPEIZUJN-CQSZACIVSA-N 2 0 320.399 2.952 20 0 DFADRP C[C@H]([NH3+])c1ccc(C(=O)N(CCC[NH3+])CC2CCCC2)cc1 ZINC000423644846 296436027 /nfs/dbraw/zinc/43/60/27/296436027.db2.gz NTMAUFPYPREONW-AWEZNQCLSA-N 2 0 303.450 2.688 20 0 DFADRP CC(C)[NH+]1CCC([NH2+]C[C@@]2(CO)C[C@@H]2c2ccccc2)CC1 ZINC000289602883 221097195 /nfs/dbraw/zinc/09/71/95/221097195.db2.gz CTBUUBXUKAIIAD-RTBURBONSA-N 2 0 302.462 2.615 20 0 DFADRP CC1(C[NH2+]C[C@@H]2CCCC[N@H+](Cc3ccccc3)C2)COC1 ZINC000289717642 221177010 /nfs/dbraw/zinc/17/70/10/221177010.db2.gz UOVFDLMOQORUKR-SFHVURJKSA-N 2 0 302.462 2.915 20 0 DFADRP CO[C@H]1C[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC000624299038 399630146 /nfs/dbraw/zinc/63/01/46/399630146.db2.gz CEMRYQAETAUMDG-KVPQPJMRSA-N 2 0 300.446 2.949 20 0 DFADRP [NH3+][C@@H](CC1CCCCC1)C(=O)Nc1ccc2c(c1F)CC[NH2+]C2 ZINC000423657426 296436971 /nfs/dbraw/zinc/43/69/71/296436971.db2.gz WAAWMPPQEUBICC-HNNXBMFYSA-N 2 0 319.424 2.708 20 0 DFADRP Cc1ccc2[nH]c3c(c2c1)CCC[C@H]3[NH2+]CC1([NH3+])CCOCC1 ZINC000629519852 399633623 /nfs/dbraw/zinc/63/36/23/399633623.db2.gz HXZDASUDLBMXPB-QGZVFWFLSA-N 2 0 313.445 2.951 20 0 DFADRP CCc1ncc(C[NH2+]CCCC[NH+]2C[C@H](C)O[C@@H](C)C2)s1 ZINC000084018247 542505102 /nfs/dbraw/zinc/50/51/02/542505102.db2.gz BKWSZZXUKKCNQB-KBPBESRZSA-N 2 0 311.495 2.685 20 0 DFADRP CC[N@@H+]1CC[C@H]([NH2+]Cc2ccc(COCCOC)cc2)[C@H](C)C1 ZINC000289876955 221286369 /nfs/dbraw/zinc/28/63/69/221286369.db2.gz WYWCZQVJIJAHHW-APWZRJJASA-N 2 0 320.477 2.670 20 0 DFADRP CC(C)CC[C@H](CO)[NH2+][C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000629525197 399635581 /nfs/dbraw/zinc/63/55/81/399635581.db2.gz WOUUPNSZFNDSQY-SUMDDJOVSA-N 2 0 318.461 2.629 20 0 DFADRP CC[C@H]([NH2+]CC1([NH3+])CCOCC1)c1ccc(OC(F)F)cc1 ZINC000629524374 399635597 /nfs/dbraw/zinc/63/55/97/399635597.db2.gz PYNNYBQENFSBGU-AWEZNQCLSA-N 2 0 314.376 2.837 20 0 DFADRP C[NH2+]CCOCC[NH2+][C@H](C)c1cc(C)c(Br)s1 ZINC000629530871 399637572 /nfs/dbraw/zinc/63/75/72/399637572.db2.gz TXVQQSYPJRDRKS-SNVBAGLBSA-N 2 0 321.284 2.706 20 0 DFADRP Fc1ccccc1-c1nc(C[N@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)co1 ZINC000629532949 399637941 /nfs/dbraw/zinc/63/79/41/399637941.db2.gz ZRZZGFACRWPJNY-OKILXGFUSA-N 2 0 315.392 2.912 20 0 DFADRP C[NH2+]CCOCC[NH2+][C@H]1CCCOc2c(Cl)cc(C)cc21 ZINC000629529500 399638087 /nfs/dbraw/zinc/63/80/87/399638087.db2.gz FFLHEJHINZPYRV-HNNXBMFYSA-N 2 0 312.841 2.688 20 0 DFADRP CC(C)(C)CC(C)(C)[NH+]1CCC([NH2+]CCOCCC[NH3+])CC1 ZINC000629540145 399639979 /nfs/dbraw/zinc/63/99/79/399639979.db2.gz USTPNZYXTQFYFX-UHFFFAOYSA-N 3 0 313.530 2.621 20 0 DFADRP C[C@H](Cc1cccc(C(F)(F)F)c1)[NH2+]CCOCCC[NH3+] ZINC000629540123 399640075 /nfs/dbraw/zinc/64/00/75/399640075.db2.gz UNABKOZCTMGACD-GFCCVEGCSA-N 2 0 304.356 2.591 20 0 DFADRP [NH3+][C@@H]1CCO[C@H](C2CC[NH+](Cc3cc(O)ccc3Cl)CC2)C1 ZINC000629540827 399641219 /nfs/dbraw/zinc/64/12/19/399641219.db2.gz SWKIGSNYBJCDJT-PBHICJAKSA-N 2 0 324.852 2.764 20 0 DFADRP COc1ccc2oc([C@H](C)[NH2+]CCOCCC[NH3+])c(C)c2c1 ZINC000629542310 399641769 /nfs/dbraw/zinc/64/17/69/399641769.db2.gz YABBSSQSHWHRHJ-ZDUSSCGKSA-N 2 0 306.406 2.766 20 0 DFADRP COc1ccc([C@H]2CCCC[C@@H]2[NH2+]CCOCCC[NH3+])cc1F ZINC000629542260 399641830 /nfs/dbraw/zinc/64/18/30/399641830.db2.gz XGPAHLQNOIEKIR-WBVHZDCISA-N 2 0 324.440 2.816 20 0 DFADRP CCOc1ccc(Cl)cc1[C@@H](C)[NH2+]CCOCCC[NH3+] ZINC000629541528 399641838 /nfs/dbraw/zinc/64/18/38/399641838.db2.gz QAUCFXNSIWWTGX-GFCCVEGCSA-N 2 0 300.830 2.755 20 0 DFADRP O[C@H](C[NH2+]CCCCCc1ccc(F)cc1)C[NH+]1CCCC1 ZINC000629577316 399653419 /nfs/dbraw/zinc/65/34/19/399653419.db2.gz RFBFWZNWAVRJDY-GOSISDBHSA-N 2 0 308.441 2.585 20 0 DFADRP CC1(C)[C@H](c2ccc(F)cc2)CC[N@@H+]1C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000629576384 399653472 /nfs/dbraw/zinc/65/34/72/399653472.db2.gz UIMOQFAMMZKVNX-SJORKVTESA-N 2 0 318.436 2.915 20 0 DFADRP CN(Cc1ccccc1)C[C@H](O)C[NH2+]C[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000629585928 399655787 /nfs/dbraw/zinc/65/57/87/399655787.db2.gz HQAXRHMGSXVZQK-AKHDSKFASA-N 2 0 302.462 2.505 20 0 DFADRP CC[C@H](CC(F)F)C[NH+]1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000629591561 399657829 /nfs/dbraw/zinc/65/78/29/399657829.db2.gz JIMDYSGOCHNVOM-UKRRQHHQSA-N 2 0 304.425 2.758 20 0 DFADRP Oc1ccc(Cl)c(C[NH+]2CCC(CO[C@@H]3CC[NH2+]C3)CC2)c1 ZINC000629591914 399657906 /nfs/dbraw/zinc/65/79/06/399657906.db2.gz SDKYSOAHIZALIQ-MRXNPFEDSA-N 2 0 324.852 2.636 20 0 DFADRP CO[C@H](C[NH+]1CCC(CO[C@H]2CC[NH2+]C2)CC1)C1CCCCC1 ZINC000629591361 399658093 /nfs/dbraw/zinc/65/80/93/399658093.db2.gz GBKLFBDXMCOLCQ-RBUKOAKNSA-N 2 0 324.509 2.672 20 0 DFADRP C/C=C\C[C@H]1CCC[N@H+](C[C@H](O)[C@@H]([NH3+])Cc2ccccc2)C1 ZINC000629595242 399659057 /nfs/dbraw/zinc/65/90/57/399659057.db2.gz LLHQKNCPLQVKMA-VCOPZDESSA-N 2 0 302.462 2.596 20 0 DFADRP [NH3+][C@@H]1CCC[C@@H]([NH2+][C@H]2CCN(c3ccc(Cl)cc3F)C2)C1 ZINC000629544640 399642864 /nfs/dbraw/zinc/64/28/64/399642864.db2.gz JTAUJSUPNOZEDD-MCIONIFRSA-N 2 0 311.832 2.917 20 0 DFADRP [NH3+]C[C@@H]1CCC[C@H]1[NH2+][C@H]1CCN(c2ccc(Cl)cc2F)C1 ZINC000629546985 399643710 /nfs/dbraw/zinc/64/37/10/399643710.db2.gz RNXMENKFQLJPSE-CORIIIEPSA-N 2 0 311.832 2.775 20 0 DFADRP O[C@H]1CCN(CC[NH2+][C@@H]2CC[C@@H](c3ccc(Cl)cc3)C2)C1 ZINC000624339020 399644313 /nfs/dbraw/zinc/64/43/13/399644313.db2.gz KBBLNCBVWJJRQW-OIISXLGYSA-N 2 0 308.853 2.632 20 0 DFADRP COc1ccc([C@@H](C[NH3+])C[N@H+]2C[C@@H](C)C(F)(F)[C@@H](C)C2)cc1 ZINC000629552799 399646347 /nfs/dbraw/zinc/64/63/47/399646347.db2.gz QJIPYHDUARNZQC-GUTXKFCHSA-N 2 0 312.404 2.961 20 0 DFADRP C[C@H]([NH2+]Cc1cn([C@@H]2CC[NH2+]C2)nn1)[C@@H](C)C1CCCCC1 ZINC000629554038 399646400 /nfs/dbraw/zinc/64/64/00/399646400.db2.gz YSIVNTICZZDXGL-JKIFEVAISA-N 2 0 305.470 2.507 20 0 DFADRP Cc1ccc(CC[N@@H+]2CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)cc1 ZINC000629560652 399649584 /nfs/dbraw/zinc/64/95/84/399649584.db2.gz GEVPELHYWWDSRU-GJZGRUSLSA-N 2 0 300.368 2.997 20 0 DFADRP Clc1cscc1C[NH+]1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000629672155 399685196 /nfs/dbraw/zinc/68/51/96/399685196.db2.gz GATPPTIZSKZORL-CQSZACIVSA-N 2 0 314.882 2.992 20 0 DFADRP C[NH2+][C@@H](CO)c1cccc(-c2cccc(OCC[NH+](C)C)c2)c1 ZINC000629699950 399694018 /nfs/dbraw/zinc/69/40/18/399694018.db2.gz FBUMNEVBAPRPKB-IBGZPJMESA-N 2 0 314.429 2.547 20 0 DFADRP CC[NH+](CC)Cc1ccc(C(=O)N[C@H]2CC[N@@H+](C(C)(C)C)C2)o1 ZINC000617351897 399675680 /nfs/dbraw/zinc/67/56/80/399675680.db2.gz RQAMTTGQPAPNTD-AWEZNQCLSA-N 2 0 321.465 2.724 20 0 DFADRP CN1CC[NH+](Cc2ccccc2-c2cccc3c2C[NH2+]CC3)CC1 ZINC000629734986 399707531 /nfs/dbraw/zinc/70/75/31/399707531.db2.gz COHOQRDWZRPEGR-UHFFFAOYSA-N 2 0 321.468 2.747 20 0 DFADRP C[NH+](C)Cc1ccc(F)c(-c2ccc(N3CC[NH2+]CC3)cc2)c1 ZINC000629736041 399707640 /nfs/dbraw/zinc/70/76/40/399707640.db2.gz AJYDSZDOGIQQOG-UHFFFAOYSA-N 2 0 313.420 2.964 20 0 DFADRP CC(C)[C@H]([NH2+][C@@H](C)C1CC[NH+](C)CC1)c1nc(C2CC2)no1 ZINC000089670926 542530427 /nfs/dbraw/zinc/53/04/27/542530427.db2.gz PWSXXAXXRCGPDF-WFASDCNBSA-N 2 0 306.454 2.964 20 0 DFADRP COc1cccc(OCCC[NH2+][C@H](C)C2CC[NH+](C)CC2)c1 ZINC000090060625 542534700 /nfs/dbraw/zinc/53/47/00/542534700.db2.gz SKFUJECWZQDSJQ-OAHLLOKOSA-N 2 0 306.450 2.784 20 0 DFADRP C[C@@H]([NH2+][C@H](C)C1CC[NH+](C)CC1)c1cn(-c2ccccc2)nn1 ZINC000090450317 542536978 /nfs/dbraw/zinc/53/69/78/542536978.db2.gz YQNXKBLJGIKCOV-HUUCEWRRSA-N 2 0 313.449 2.648 20 0 DFADRP CCOC[C@@H]1CCC[N@H+](Cc2ccc(OCC[NH+](C)C)cc2)C1 ZINC000093418937 542553009 /nfs/dbraw/zinc/55/30/09/542553009.db2.gz QIVZKJHHSDTIQU-GOSISDBHSA-N 2 0 320.477 2.876 20 0 DFADRP C[NH+](C)CC1CCC(NC(=O)CC2(C[NH3+])CCCCC2)CC1 ZINC000423736303 296442690 /nfs/dbraw/zinc/44/26/90/296442690.db2.gz BMXKFZYAFSOFBS-UHFFFAOYSA-N 2 0 309.498 2.522 20 0 DFADRP Cc1ccc([C@@H](C[NH2+][C@@H](C)C2CC[NH+](C)CC2)N(C)C)cc1 ZINC000118996194 542569580 /nfs/dbraw/zinc/56/95/80/542569580.db2.gz PPPCHOLTPIKEPC-QFBILLFUSA-N 2 0 303.494 2.918 20 0 DFADRP CCN(CC)[C@@H](C[NH2+][C@@H](C)C1CC[NH+](C)CC1)c1ccco1 ZINC000119119624 542570456 /nfs/dbraw/zinc/57/04/56/542570456.db2.gz JGGCBVBEIURNNW-RDJZCZTQSA-N 2 0 307.482 2.982 20 0 DFADRP C[NH+]1CCN(c2cc(C[NH2+][C@@H]3CC[C@@H]3C(C)(C)C)ccn2)CC1 ZINC000348098806 285347537 /nfs/dbraw/zinc/34/75/37/285347537.db2.gz BTNKOELGEGROBC-DLBZAZTESA-N 2 0 316.493 2.748 20 0 DFADRP COc1ccccc1N1CC[C@H]([NH2+][C@H](C)C2CC[NH+](C)CC2)C1 ZINC000119718675 542575087 /nfs/dbraw/zinc/57/50/87/542575087.db2.gz LFRUBDWVTVNOGQ-WBVHZDCISA-N 2 0 317.477 2.594 20 0 DFADRP CCC[NH+]1CCC([NH2+][C@H]2CCN(c3ncccc3Cl)C2)CC1 ZINC000119917464 542575574 /nfs/dbraw/zinc/57/55/74/542575574.db2.gz ZFBLYTKOZQUAOQ-HNNXBMFYSA-N 2 0 322.884 2.778 20 0 DFADRP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@@H]2CCc3c2cccc3C)CC1 ZINC000121141053 195298579 /nfs/dbraw/zinc/29/85/79/195298579.db2.gz URPQHRPCFRTSFU-OXQOHEQNSA-N 2 0 315.505 2.846 20 0 DFADRP CC(C)C[C@H](C)N(C)C(=O)C[NH+]1CCC(CC[NH+](C)C)CC1 ZINC000121669593 195327688 /nfs/dbraw/zinc/32/76/88/195327688.db2.gz FVJPMDRWBUBHLY-INIZCTEOSA-N 2 0 311.514 2.543 20 0 DFADRP C[NH+](C)Cc1cc(C[NH2+][C@@H]2[C@H]3CCO[C@@H]3C23CCC3)ccc1F ZINC000121845063 195360119 /nfs/dbraw/zinc/36/01/19/195360119.db2.gz DECFCUROCLCDSE-NXHRZFHOSA-N 2 0 318.436 2.935 20 0 DFADRP C[NH+](C)CCCC1CC[NH+](C[C@@](C)(O)c2ccccc2)CC1 ZINC000123349649 195570641 /nfs/dbraw/zinc/57/06/41/195570641.db2.gz TZMYTJFZYHCFCX-LJQANCHMSA-N 2 0 304.478 2.948 20 0 DFADRP CC[N@@H+]1CC[C@@H](NC[C@@H](c2cccc(OC)c2)[NH+](C)C)[C@H](C)C1 ZINC000133647664 285376680 /nfs/dbraw/zinc/37/66/80/285376680.db2.gz FBOUMTGUAIKONO-LZQZEXGQSA-N 2 0 319.493 2.618 20 0 DFADRP CC[N@H+](C)[C@H](C(=O)N[C@@H](C)C1CC[NH+](C)CC1)c1ccccc1 ZINC000603320424 399744278 /nfs/dbraw/zinc/74/42/78/399744278.db2.gz IMJMEHPFHLGGGC-YJBOKZPZSA-N 2 0 317.477 2.526 20 0 DFADRP C[C@@H]([NH2+][C@@H](C)[C@@H]1CCOC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000309708443 533499860 /nfs/dbraw/zinc/49/98/60/533499860.db2.gz IULAICSKTHGGKT-KCITZHQASA-N 2 0 302.462 2.912 20 0 DFADRP C[C@H]([NH2+][C@H]1CC[C@H](CO)CC1)c1ccc(OCC[NH+](C)C)cc1 ZINC000121340721 542584313 /nfs/dbraw/zinc/58/43/13/542584313.db2.gz MMHPGVMYPWWOBN-XYJFISCASA-N 2 0 320.477 2.829 20 0 DFADRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@H]1CCc2c1cc(F)cc2F ZINC000121529197 542585205 /nfs/dbraw/zinc/58/52/05/542585205.db2.gz DLHFASCDZJPJHB-DYVFJYSZSA-N 2 0 312.404 2.899 20 0 DFADRP COCCC[NH+]1CCC([NH2+]C[C@H]2C[C@H]2c2ccccc2)CC1 ZINC000348239508 285442455 /nfs/dbraw/zinc/44/24/55/285442455.db2.gz GLCHDZVARFCFNX-MJGOQNOKSA-N 2 0 302.462 2.881 20 0 DFADRP C[C@@H]([NH2+][C@H](C)C1CC[NH+](C)CC1)c1ccc2c(c1)OCCO2 ZINC000122018029 542589003 /nfs/dbraw/zinc/58/90/03/542589003.db2.gz CDKAEUWRSXBVLE-ZIAGYGMSSA-N 2 0 304.434 2.839 20 0 DFADRP C[NH+](C)CCCC[NH2+]Cc1ccnn1CCc1ccccc1 ZINC000621331817 399758065 /nfs/dbraw/zinc/75/80/65/399758065.db2.gz PGCLNPXYFHZLBC-UHFFFAOYSA-N 2 0 300.450 2.557 20 0 DFADRP CC[NH+](CC)[C@H](CNC(=O)C[N@H+](C)C1CCC1)c1ccsc1 ZINC000629948663 399764119 /nfs/dbraw/zinc/76/41/19/399764119.db2.gz LNKIWOWGYZDPCJ-MRXNPFEDSA-N 2 0 323.506 2.732 20 0 DFADRP [NH3+][C@H](CCC(=O)N1CCC[C@H]2C[NH2+]CC[C@@H]21)CC1CCCCC1 ZINC000632865576 399771581 /nfs/dbraw/zinc/77/15/81/399771581.db2.gz VHPQATCITVLTLS-KSZLIROESA-N 2 0 321.509 2.665 20 0 DFADRP C[C@]1(O)CCC[N@H+](Cc2ccc(OCC[NH+]3CCCC3)cc2)C1 ZINC000129581711 542624473 /nfs/dbraw/zinc/62/44/73/542624473.db2.gz NIPSZQXSNYAIFB-IBGZPJMESA-N 2 0 318.461 2.508 20 0 DFADRP C[C@@H]([NH2+]CCCN(C)c1ccccc1F)C1CC[NH+](C)CC1 ZINC000129130695 542622100 /nfs/dbraw/zinc/62/21/00/542622100.db2.gz ZNFKDCNCMILNKE-OAHLLOKOSA-N 2 0 307.457 2.972 20 0 DFADRP C[C@H]([NH2+]CC[C@H]1CCCO1)c1cccc(OCC[NH+](C)C)c1 ZINC000131938177 542639498 /nfs/dbraw/zinc/63/94/98/542639498.db2.gz QTYRFWDDKYQKDM-DOTOQJQBSA-N 2 0 306.450 2.847 20 0 DFADRP CCC(C)(C)C(=O)NCC1([NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000424020828 296475756 /nfs/dbraw/zinc/47/57/56/296475756.db2.gz QCJCUDXNYFKGEE-UHFFFAOYSA-N 2 0 317.477 2.532 20 0 DFADRP CCC[N@H+](CC)Cc1ccc(C(=O)NCC[C@H](C)[NH+](C)C)cc1 ZINC000617752633 399789873 /nfs/dbraw/zinc/78/98/73/399789873.db2.gz REVZYCGFIOVEGT-INIZCTEOSA-N 2 0 319.493 2.989 20 0 DFADRP C[C@@H]1C[N@H+](C)CC[C@@H]1NCc1nccn1CCc1ccccc1 ZINC000164276349 132133898 /nfs/dbraw/zinc/13/38/98/132133898.db2.gz HXPVIKAQBZZLPF-AEFFLSMTSA-N 2 0 312.461 2.556 20 0 DFADRP CO[C@@H]1[C@@H](C)[C@@H]([NH2+]CC2(SC)CC[NH+](C)CC2)C12CCC2 ZINC000353627564 132136824 /nfs/dbraw/zinc/13/68/24/132136824.db2.gz LELCFFWLJAMJOY-RRFJBIMHSA-N 2 0 312.523 2.607 20 0 DFADRP CNC(=O)[C@H](CC(C)C)NC1CC[NH+](C2CCCCC2)CC1 ZINC000163694077 542743612 /nfs/dbraw/zinc/74/36/12/542743612.db2.gz WVKYANBJNULAIY-KRWDZBQOSA-N 2 0 309.498 2.534 20 0 DFADRP C[C@@H](CNC(=O)[C@H]([NH3+])c1cccc(Cl)c1)C[NH+]1CCCCC1 ZINC000165664077 542749611 /nfs/dbraw/zinc/74/96/11/542749611.db2.gz LPJBPIWVDSQAFS-XJKSGUPXSA-N 2 0 323.868 2.578 20 0 DFADRP CCC(CC)C(=O)N1CCC([NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000166228984 542750055 /nfs/dbraw/zinc/75/00/55/542750055.db2.gz SYAQSHDEZHVDPJ-ZWKOTPCHSA-N 2 0 321.509 2.630 20 0 DFADRP COc1cc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c2ccccc2n1 ZINC000166719848 542751827 /nfs/dbraw/zinc/75/18/27/542751827.db2.gz FXNLFNMLBSALNP-HZPDHXFCSA-N 2 0 311.429 2.960 20 0 DFADRP C[N@H+](CCN1CC[NH+](C2CCCC2)CC1)Cc1ccc(F)cc1 ZINC000173189130 542759191 /nfs/dbraw/zinc/75/91/91/542759191.db2.gz BPXQQKIYYNVEKO-UHFFFAOYSA-N 2 0 319.468 2.818 20 0 DFADRP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)[C@H]2CCCC[NH+]2C)C1 ZINC000603735450 399800347 /nfs/dbraw/zinc/80/03/47/399800347.db2.gz ATDLAGVCEZRAIT-KZNAEPCWSA-N 2 0 321.509 2.584 20 0 DFADRP C[C@@]1(CNC(=O)CC[C@@H]([NH3+])CC2CCCCC2)CCC[NH2+]C1 ZINC000424140266 296487655 /nfs/dbraw/zinc/48/76/55/296487655.db2.gz FDVZKRSTCJNBSW-SJLPKXTDSA-N 2 0 309.498 2.570 20 0 DFADRP C[C@@H](CN1CC[NH+](C)CC1)[NH2+][C@H]1CCSc2c(F)cccc21 ZINC000177968477 542774274 /nfs/dbraw/zinc/77/42/74/542774274.db2.gz HWGTYAUASRFTIM-BBRMVZONSA-N 2 0 323.481 2.588 20 0 DFADRP C[C@H](O)C[NH+]1CCC(C[N@H+](C)CC(C)(C)c2ccccc2)CC1 ZINC000180093955 542783264 /nfs/dbraw/zinc/78/32/64/542783264.db2.gz LMKVWAGODFFQJU-KRWDZBQOSA-N 2 0 318.505 2.989 20 0 DFADRP Cc1n[nH]cc1[C@H](C)[NH2+]Cc1ccc(OCCC[NH+](C)C)cc1 ZINC000180425256 542784484 /nfs/dbraw/zinc/78/44/84/542784484.db2.gz OZAYWMDWXHCTQS-AWEZNQCLSA-N 2 0 316.449 2.899 20 0 DFADRP CC[NH+](CC)Cc1cccc(C[NH2+]C2CC(CC(=O)OC)C2)c1 ZINC000424272681 296497764 /nfs/dbraw/zinc/49/77/64/296497764.db2.gz UPRPJZGNVVLRMA-UHFFFAOYSA-N 2 0 318.461 2.960 20 0 DFADRP C[C@@H](CC(=O)NC[C@H](C1CCCCC1)[NH+](C)C)C1CC[NH2+]CC1 ZINC000237463797 542903073 /nfs/dbraw/zinc/90/30/73/542903073.db2.gz HJMATRSCSQQHII-MAUKXSAKSA-N 2 0 323.525 2.639 20 0 DFADRP CCO[C@@H]1C[C@H]([NH2+]C[C@@H](O)C[NH+]2CCCCC2)C12CCCCC2 ZINC000245927636 542918544 /nfs/dbraw/zinc/91/85/44/542918544.db2.gz RSXKEUNJXKDLNZ-FGTMMUONSA-N 2 0 324.509 2.551 20 0 DFADRP C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1CCCC[C@H]1O ZINC000268887522 542961494 /nfs/dbraw/zinc/96/14/94/542961494.db2.gz NEGYMYDQEUEEPH-QXCFHYIPSA-N 2 0 302.462 2.790 20 0 DFADRP [NH3+]C[C@@H](CN1CCC[C@H]1C[NH+]1CCCCC1)c1ccc(F)cc1 ZINC000424301921 296499828 /nfs/dbraw/zinc/49/98/28/296499828.db2.gz LKQPLAPVXRIWPH-HKUYNNGSSA-N 2 0 319.468 2.818 20 0 DFADRP C[C@H](C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)c1ccccc1 ZINC000273136217 542970677 /nfs/dbraw/zinc/97/06/77/542970677.db2.gz RHHFHHHTQWNFJG-KRWDZBQOSA-N 2 0 319.493 2.522 20 0 DFADRP CCC[N@H+](CC)Cc1ccc(C(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)cc1 ZINC000275805644 542976110 /nfs/dbraw/zinc/97/61/10/542976110.db2.gz UHFOFOPVIREHFW-QZTJIDSGSA-N 2 0 317.477 2.918 20 0 DFADRP COc1cc2c(cc1OC)[C@H]([NH2+]C[C@@H]1CC[N@@H+](C3CC3)C1)CC2 ZINC000280003424 542986465 /nfs/dbraw/zinc/98/64/65/542986465.db2.gz GDVIAYOTLCBMKV-SUMWQHHRSA-N 2 0 316.445 2.765 20 0 DFADRP C[C@H](N[C@@H]1CCCC[C@H]1[NH3+])c1cccc(OCC[NH+](C)C)c1 ZINC000424373289 296505324 /nfs/dbraw/zinc/50/53/24/296505324.db2.gz JLHSMXZFUAXKQN-BMGDILEWSA-N 2 0 305.466 2.548 20 0 DFADRP c1nn(C2CC[NH+](C[C@@H]3C[C@H]3c3ccccc3)CC2)c2c1C[NH2+]C2 ZINC000424387967 296506508 /nfs/dbraw/zinc/50/65/08/296506508.db2.gz YSHHNAZFEFMXMU-LPHOPBHVSA-N 2 0 322.456 2.927 20 0 DFADRP Cc1cccc(NC(=O)C[C@H](C)[NH2+]C[C@H](C)C[NH+](C)C)c1C ZINC000293770351 543021712 /nfs/dbraw/zinc/02/17/12/543021712.db2.gz SPCQCNORGXDVMK-ZFWWWQNUSA-N 2 0 305.466 2.808 20 0 DFADRP C[C@H]([NH2+][C@H]1CCCCC[C@H]1O)c1ccc(OCC[NH+](C)C)cc1 ZINC000348684342 285641852 /nfs/dbraw/zinc/64/18/52/285641852.db2.gz PDHPZPWCAZKGKT-ZYSHUDEJSA-N 2 0 320.477 2.971 20 0 DFADRP C[C@H]([NH2+][C@@H]1CCCCC[C@H]1O)c1cccc(OCC[NH+](C)C)c1 ZINC000348691344 285643747 /nfs/dbraw/zinc/64/37/47/285643747.db2.gz CFPHXZFUGRCQLR-KFKAGJAMSA-N 2 0 320.477 2.971 20 0 DFADRP C[NH+]1CCN(C(C)(C)C[NH2+][C@@H]2CCSc3ccccc32)CC1 ZINC000314329344 543069065 /nfs/dbraw/zinc/06/90/65/543069065.db2.gz ITAKXHXCFHJSOT-MRXNPFEDSA-N 2 0 319.518 2.839 20 0 DFADRP COc1cc(C[NH2+][C@H](C)C2CC[NH+](C)CC2)cc(OC)c1OC ZINC000319613621 543079704 /nfs/dbraw/zinc/07/97/04/543079704.db2.gz NTIBRQZOQWWULI-CYBMUJFWSA-N 2 0 322.449 2.532 20 0 DFADRP C[C@@H](NC(=O)Nc1cccc(C[NH+](C)C)c1)C1CC[NH+](C)CC1 ZINC000604420444 399845406 /nfs/dbraw/zinc/84/54/06/399845406.db2.gz JPZISJYEUCABQE-CQSZACIVSA-N 2 0 318.465 2.600 20 0 DFADRP CCN(CCC[N@@H+]1CCC[C@H](n2ccnc2)C1)CC(F)(F)F ZINC000681208351 545611413 /nfs/dbraw/zinc/61/14/13/545611413.db2.gz HABWPOMULWKRPP-AWEZNQCLSA-N 2 0 318.387 2.794 20 0 DFADRP C[C@H]1CCCC[N@@H+]1CCC(=O)N1CCC([NH+]2CCCCC2)CC1 ZINC000339252689 543142683 /nfs/dbraw/zinc/14/26/83/543142683.db2.gz HNHWWWLECGNZCV-KRWDZBQOSA-N 2 0 321.509 2.728 20 0 DFADRP COc1ccccc1O[C@H](C)C[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000339068198 543139391 /nfs/dbraw/zinc/13/93/91/543139391.db2.gz MJQFPZXYPMGQCS-OAGGEKHMSA-N 2 0 304.434 2.679 20 0 DFADRP COc1cc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)c2ccccc2n1 ZINC000339068356 543139438 /nfs/dbraw/zinc/13/94/38/543139438.db2.gz FXNLFNMLBSALNP-HOTGVXAUSA-N 2 0 311.429 2.960 20 0 DFADRP COc1ccccc1O[C@H](C)C[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000339068199 543139911 /nfs/dbraw/zinc/13/99/11/543139911.db2.gz MJQFPZXYPMGQCS-PMPSAXMXSA-N 2 0 304.434 2.679 20 0 DFADRP CC[NH+]1CCN(c2ccc(C[NH2+][C@@H]3CC[C@@H]3C3CC3)cn2)CC1 ZINC000348077784 543183026 /nfs/dbraw/zinc/18/30/26/543183026.db2.gz FFOWLXIYIXVPQE-QZTJIDSGSA-N 2 0 314.477 2.502 20 0 DFADRP c1ccc(C[NH+]2CCN(CC[NH2+][C@@H]3CC[C@H]3C3CC3)CC2)cc1 ZINC000348091887 543183183 /nfs/dbraw/zinc/18/31/83/543183183.db2.gz YYIOZWMDHBVVOD-VQTJNVASSA-N 2 0 313.489 2.582 20 0 DFADRP C[C@@H]1CCCC[N@@H+]1CCCNC(=O)C1C[C@H]2CCC[C@@H](C1)C2[NH3+] ZINC000353795453 146761514 /nfs/dbraw/zinc/76/15/14/146761514.db2.gz MCUAIRWDRHKWHS-ZGOKBZQCSA-N 2 0 321.509 2.521 20 0 DFADRP CC(C)[C@H]1CC[C@H]1[NH2+]CCCN1CCN(c2cc[nH+]cc2)CC1 ZINC000353495489 543235709 /nfs/dbraw/zinc/23/57/09/543235709.db2.gz HWUZNBNZNCLNKD-RTBURBONSA-N 2 0 316.493 2.618 20 0 DFADRP COc1cc2c(cc1OC)[C@@H]([NH2+]CC1CC[NH+](C)CC1)CC2 ZINC000358761063 543269269 /nfs/dbraw/zinc/26/92/69/543269269.db2.gz WIJLRGVPVUUURJ-INIZCTEOSA-N 2 0 304.434 2.623 20 0 DFADRP CC(C)[C@H]([NH2+]CC(C)(C)N1CC[NH+](C)CC1)c1ccccc1 ZINC000386106635 543300757 /nfs/dbraw/zinc/30/07/57/543300757.db2.gz PQMIHCSGKLJXIW-SFHVURJKSA-N 2 0 303.494 2.999 20 0 DFADRP CCC[N@@H+]1CC[C@H](NC2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000389142992 543303605 /nfs/dbraw/zinc/30/36/05/543303605.db2.gz HQLRWRDZRKOBNS-FQEVSTJZSA-N 2 0 315.505 2.767 20 0 DFADRP C[C@H]([NH2+][C@@H]1CN(Cc2ccccc2)C[C@H]1C)C1CC[NH+](C)CC1 ZINC000389794616 543305206 /nfs/dbraw/zinc/30/52/06/543305206.db2.gz SNWPVHWITXRPNW-FUHIMQAGSA-N 2 0 315.505 2.827 20 0 DFADRP CCOc1ccccc1[C@@H](C)[NH2+]CC(C)(C)N1CC[NH+](C)CC1 ZINC000390253924 543306097 /nfs/dbraw/zinc/30/60/97/543306097.db2.gz FVMZBFIRFCKBBP-MRXNPFEDSA-N 2 0 319.493 2.762 20 0 DFADRP CCC[N@@H+]1CC[C@H](N[C@H]2CC[NH+](Cc3ccccc3)C[C@H]2C)C1 ZINC000398181545 543310645 /nfs/dbraw/zinc/31/06/45/543310645.db2.gz KDLPNSNNWOBUAT-HOJAQTOUSA-N 2 0 315.505 2.971 20 0 DFADRP C[C@H]1CCC[N@H+](Cc2ccc(NC(=O)C[C@@H]3CCC[NH2+]3)cc2)C1 ZINC000164577223 145224587 /nfs/dbraw/zinc/22/45/87/145224587.db2.gz USUFEUTZHIQDNX-YJBOKZPZSA-N 2 0 315.461 2.999 20 0 DFADRP COC[C@H]([NH2+]C[C@@H]1CC[N@H+](CCc2ccccc2)C1)C1CC1 ZINC000165348612 145229385 /nfs/dbraw/zinc/22/93/85/145229385.db2.gz RATNOQAJSFUNSQ-HKUYNNGSSA-N 2 0 302.462 2.566 20 0 DFADRP C[NH+](C)[C@H](CNC1CC[NH+](CCc2ccccc2)CC1)C1CC1 ZINC000166232243 145234245 /nfs/dbraw/zinc/23/42/45/145234245.db2.gz XWHMDUQVTARGBJ-HXUWFJFHSA-N 2 0 315.505 2.623 20 0 DFADRP CC1CCC([NH+]2CCC(N(C)C(=O)[C@@H]3CC[C@@H]([NH3+])C3)CC2)CC1 ZINC000166556113 145235249 /nfs/dbraw/zinc/23/52/49/145235249.db2.gz FCDXZVAQRSPCRT-GARNVTTQSA-N 2 0 321.509 2.615 20 0 DFADRP CC1CCC([NH+]2CCC(N(C)C(=O)C[C@@H]3CCC[NH2+]3)CC2)CC1 ZINC000166560008 145235502 /nfs/dbraw/zinc/23/55/02/145235502.db2.gz GBJSAJWENANLPP-PQUAAJSLSA-N 2 0 321.509 2.630 20 0 DFADRP CC(C)[C@H]1C[N@H+](C)CCN1C(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000172337753 145298719 /nfs/dbraw/zinc/29/87/19/145298719.db2.gz WSJIBPNMFBJJPJ-QGZVFWFLSA-N 2 0 318.465 2.552 20 0 DFADRP CCc1ccccc1NC(=O)C[C@H](C)[NH2+][C@H]1CCC[C@@H]([NH3+])C1 ZINC000414928508 543327995 /nfs/dbraw/zinc/32/79/95/543327995.db2.gz QDBNIBACVGFNDZ-IMJJTQAJSA-N 2 0 303.450 2.826 20 0 DFADRP CC(C)CCC[C@H](C)NC(=O)CN(C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000173528396 145346588 /nfs/dbraw/zinc/34/65/88/145346588.db2.gz RTDFHNOJVKZLIL-ULQDDVLXSA-N 2 0 311.514 2.732 20 0 DFADRP CC[C@@H]1[C@@H](C(=O)Nc2ccc(C[NH+](C)C)c(C)c2)CC[N@@H+]1C ZINC000633407010 399899625 /nfs/dbraw/zinc/89/96/25/399899625.db2.gz IAQLIJLYBXFGKO-DLBZAZTESA-N 2 0 303.450 2.725 20 0 DFADRP CCOc1cc2[nH+]ccc(N3C[C@@H]([NH3+])C[C@@H]3C)c2cc1OCC ZINC000630559015 399903265 /nfs/dbraw/zinc/90/32/65/399903265.db2.gz NUNIVHOOTGOWFD-STQMWFEESA-N 2 0 315.417 2.958 20 0 DFADRP CCN(C(=O)CC[N@H+](C)C1CCCCC1)C1CC[NH+](C)CC1 ZINC000627616963 399947386 /nfs/dbraw/zinc/94/73/86/399947386.db2.gz MZLQDTRMJKDZCA-UHFFFAOYSA-N 2 0 309.498 2.584 20 0 DFADRP C[C@H]([NH2+]Cc1ccc(=O)[nH]c1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000631108659 399982007 /nfs/dbraw/zinc/98/20/07/399982007.db2.gz DSAWZBZKPJCKID-YJBOKZPZSA-N 2 0 311.429 2.787 20 0 DFADRP C[NH+]1CCN(c2cc[nH+]c(NCc3ccc(F)cc3F)c2)CC1 ZINC000630959880 399953809 /nfs/dbraw/zinc/95/38/09/399953809.db2.gz MPFCOORUWYSAIW-UHFFFAOYSA-N 2 0 318.371 2.724 20 0 DFADRP Cc1ccc(CNc2cc(N3CC[NH+](C)CC3)cc[nH+]2)s1 ZINC000630960576 399953993 /nfs/dbraw/zinc/95/39/93/399953993.db2.gz WIPGIQHZYHNYSA-UHFFFAOYSA-N 2 0 302.447 2.815 20 0 DFADRP C[C@H](C(=O)N1CCC(C)([NH+]2CCCC2)CC1)[NH+]1CCCCCC1 ZINC000633943356 399963203 /nfs/dbraw/zinc/96/32/03/399963203.db2.gz JMTONGAYRLWJHN-QGZVFWFLSA-N 2 0 321.509 2.728 20 0 DFADRP CCC1([NH+]2CCCC2)CCN(C(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000633954638 399965315 /nfs/dbraw/zinc/96/53/15/399965315.db2.gz VVQJNPZTYFELBM-CALCHBBNSA-N 2 0 321.509 2.726 20 0 DFADRP C[NH+]1CCN(CCC[NH2+]Cc2oc3ccccc3c2Cl)CC1 ZINC000631035568 399966618 /nfs/dbraw/zinc/96/66/18/399966618.db2.gz MCWFGLWOLFQIAN-UHFFFAOYSA-N 2 0 321.852 2.813 20 0 DFADRP Cc1cc(C)c(/C=C/C[NH2+][C@@H](C)CN2CC[NH+](C)CC2)c(C)c1 ZINC000631067490 399973523 /nfs/dbraw/zinc/97/35/23/399973523.db2.gz NELBHNJUHCGIQF-GHOSXJJBSA-N 2 0 315.505 2.851 20 0 DFADRP CC(C)n1ncnc1C[NH2+]C1CCC([NH+]2CCC(C)CC2)CC1 ZINC000631100410 399980452 /nfs/dbraw/zinc/98/04/52/399980452.db2.gz WADZKBFVLSAAPE-UHFFFAOYSA-N 2 0 319.497 2.992 20 0 DFADRP Cc1ccc(C[NH2+]Cc2ccnc(OCC[NH+](C)C)c2)c(F)c1 ZINC000631102113 399981074 /nfs/dbraw/zinc/98/10/74/399981074.db2.gz PIRMRSBYPMLHKY-UHFFFAOYSA-N 2 0 317.408 2.759 20 0 DFADRP CC[C@@H]1CCCC[C@@H]1C[NH+]1CCN(CC[NH+]2CCCC2)CC1 ZINC000628121072 399987667 /nfs/dbraw/zinc/98/76/67/399987667.db2.gz PXAPDKPDMVMGCE-RTBURBONSA-N 2 0 307.526 2.916 20 0 DFADRP CN(C)c1c(C[NH+]2CCC(C[NH+](C)C)CC2)ccc(F)c1F ZINC000628134097 399989447 /nfs/dbraw/zinc/98/94/47/399989447.db2.gz DOTAFNQPOGIDRK-UHFFFAOYSA-N 2 0 311.420 2.804 20 0 DFADRP c1cc2cc(C[NH+]3CCC(C[NH+]4CCOCC4)CC3)ccc2[nH]1 ZINC000628133886 399989601 /nfs/dbraw/zinc/98/96/01/399989601.db2.gz UGIAUOIJFKEKLA-UHFFFAOYSA-N 2 0 313.445 2.712 20 0 DFADRP C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C[NH2+]CC1=CCCOC1 ZINC000631196059 400001657 /nfs/dbraw/zinc/00/16/57/400001657.db2.gz NKDSKDLNRNAYNV-LPHOPBHVSA-N 2 0 300.446 2.691 20 0 DFADRP C[C@]1(C[NH2+]C2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)CCCS1 ZINC000628228503 400004270 /nfs/dbraw/zinc/00/42/70/400004270.db2.gz QVVLHRGYTGNJDL-GVDBMIGSSA-N 2 0 312.523 2.630 20 0 DFADRP Cc1ccc([C@@H](C)C[N@H+](C)CCCN2CC[NH+](C)CC2)cc1 ZINC000628279079 400012586 /nfs/dbraw/zinc/01/25/86/400012586.db2.gz SSXBAXHUODCLGE-SFHVURJKSA-N 2 0 303.494 2.668 20 0 DFADRP C[C@H]([NH2+]C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1C)[C@H]1CCOC1 ZINC000631665304 400064174 /nfs/dbraw/zinc/06/41/74/400064174.db2.gz VEUUIGDUXBZNHE-NEPXVJNWSA-N 2 0 302.462 2.769 20 0 DFADRP C[NH+](C)CC1(C(=O)NC[C@@H]2CC[N@@H+]2C2CCCC2)CCCCC1 ZINC000628965475 400066601 /nfs/dbraw/zinc/06/66/01/400066601.db2.gz YJOGSFDYCSVOLF-KRWDZBQOSA-N 2 0 321.509 2.632 20 0 DFADRP c1cc(C[N@@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)c2c(c1)COCC2 ZINC000631827480 400077922 /nfs/dbraw/zinc/07/79/22/400077922.db2.gz PDDSSEDFMQJGCH-CVEARBPZSA-N 2 0 300.446 2.581 20 0 DFADRP COc1cccc(-c2nc(C[N@@H+]3CCC[C@@H](CC[NH3+])C3)co2)c1 ZINC000631825597 400077955 /nfs/dbraw/zinc/07/79/55/400077955.db2.gz NIJSKDAUODSFJI-AWEZNQCLSA-N 2 0 315.417 2.911 20 0 DFADRP c1cc(C[N@@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)c2c(c1)COCC2 ZINC000631826757 400077991 /nfs/dbraw/zinc/07/79/91/400077991.db2.gz WIXRONUJVALTAD-SJORKVTESA-N 2 0 314.473 2.971 20 0 DFADRP Cc1cc(C)c(C[NH+]2CCC([C@H]3C[C@@H]([NH3+])CCO3)CC2)c(C)n1 ZINC000631828351 400078064 /nfs/dbraw/zinc/07/80/64/400078064.db2.gz MKUWGEFUPBMBDV-PKOBYXMFSA-N 2 0 317.477 2.725 20 0 DFADRP Cc1cc(C)c(C[N@@H+]2CCCC[C@@H]2[C@H]2C[C@@H]([NH3+])CCO2)c(C)n1 ZINC000631829547 400078173 /nfs/dbraw/zinc/07/81/73/400078173.db2.gz TZSKAVRKZVGOIJ-QXAKKESOSA-N 2 0 317.477 2.868 20 0 DFADRP c1cc(C[N@@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)c2c(c1)COCC2 ZINC000631829669 400078204 /nfs/dbraw/zinc/07/82/04/400078204.db2.gz XBWQICNFIJBBLS-KRWDZBQOSA-N 2 0 314.473 2.971 20 0 DFADRP [NH3+]C[C@@H]1C[N@H+](C[C@@H]2CCC(F)(F)C2)CC[C@@H]1C(F)(F)F ZINC000631830111 400078356 /nfs/dbraw/zinc/07/83/56/400078356.db2.gz KDOMFJATXNUPGQ-MXWKQRLJSA-N 2 0 300.315 2.881 20 0 DFADRP C[C@@H]1C[N@H+](Cc2ccc(OCC(F)(F)F)cc2)C[C@@H]1C[NH3+] ZINC000631840043 400079062 /nfs/dbraw/zinc/07/90/62/400079062.db2.gz OVDPKKSGQUZIOI-YPMHNXCESA-N 2 0 302.340 2.654 20 0 DFADRP C[C@H]([NH2+]CCOCC[NH+](C)C)c1ccccc1Br ZINC000219314164 146000347 /nfs/dbraw/zinc/00/03/47/146000347.db2.gz IOVGFPWTOFQCTQ-LBPRGKRZSA-N 2 0 315.255 2.678 20 0 DFADRP c1ccc(C[NH+]2CCN(CC[NH2+]C[C@@H]3CC=CCC3)CC2)cc1 ZINC000236705589 146024943 /nfs/dbraw/zinc/02/49/43/146024943.db2.gz PDFDNWCXKYKIPY-LJQANCHMSA-N 2 0 313.489 2.750 20 0 DFADRP C[C@@]1(C(=O)N2CCC[C@@H](C[NH+]3CCCCCC3)C2)CCCC[NH2+]1 ZINC000237547929 146046029 /nfs/dbraw/zinc/04/60/29/146046029.db2.gz DBBYWGGAODXDAH-HKUYNNGSSA-N 2 0 321.509 2.633 20 0 DFADRP [NH3+][C@@H](C(=O)NCc1ccccc1C[NH+]1CCCC1)c1ccccc1 ZINC000237828378 146053429 /nfs/dbraw/zinc/05/34/29/146053429.db2.gz MKFRWPNABLABQH-LJQANCHMSA-N 2 0 323.440 2.599 20 0 DFADRP CC[N@@H+]1CC[C@H](N(C)Cc2ccc(C(=O)OC)cc2)[C@@H](C)C1 ZINC000245421074 146068904 /nfs/dbraw/zinc/06/89/04/146068904.db2.gz HUIDGLBZSZIEHC-YOEHRIQHSA-N 2 0 304.434 2.635 20 0 DFADRP CN(CC[N@H+](C)[C@H]1CCc2ccc(F)cc21)C1CC[NH+](C)CC1 ZINC000246018015 146114608 /nfs/dbraw/zinc/11/46/08/146114608.db2.gz LCYRYZNIVLDEBL-IBGZPJMESA-N 2 0 319.468 2.771 20 0 DFADRP C[C@@H]1C[NH+](CCC2CC[NH+](C[C@H]3CCCCO3)CC2)C[C@@H](C)O1 ZINC000246098132 146119901 /nfs/dbraw/zinc/11/99/01/146119901.db2.gz ANEAPTVAYOFASP-ZHALLVOQSA-N 2 0 324.509 2.767 20 0 DFADRP CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)Nc2cccc(C[NH+](C)C)c2)C1 ZINC000246296658 146136304 /nfs/dbraw/zinc/13/63/04/146136304.db2.gz VAUCDQIUWGMREL-RHSMWYFYSA-N 2 0 318.465 2.598 20 0 DFADRP CC[N@@H+]1CC[C@@H]([NH2+]CCOCc2ccc(OC)cc2)[C@@H](C)C1 ZINC000246541215 146143674 /nfs/dbraw/zinc/14/36/74/146143674.db2.gz VXSFIYQFNXBELC-MAUKXSAKSA-N 2 0 306.450 2.532 20 0 DFADRP CC[N@@H+]1CC[C@H]([NH2+][C@H]2CCN(c3c(F)cccc3F)C2)[C@@H](C)C1 ZINC000247090556 146160369 /nfs/dbraw/zinc/16/03/69/146160369.db2.gz NZDDAHPSMDWEQE-ZQIUZPCESA-N 2 0 323.431 2.863 20 0 DFADRP CC[N@@H+]1CC[C@H](N[C@@H]2C[C@@H](C)[NH+](Cc3ccccc3)C2)[C@@H](C)C1 ZINC000247090572 146160442 /nfs/dbraw/zinc/16/04/42/146160442.db2.gz NZHWDEOMENFHDE-CUDHKJQZSA-N 2 0 315.505 2.969 20 0 DFADRP CC1(C)[C@H](O)C[C@@H]1[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000248886119 146173607 /nfs/dbraw/zinc/17/36/07/146173607.db2.gz MCBIZNMAKSZKKG-QXCZDIPSSA-N 2 0 314.473 2.931 20 0 DFADRP CC[C@@](C)(O)C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000248883689 146174230 /nfs/dbraw/zinc/17/42/30/146174230.db2.gz LLWNBZCXWRGDKF-FCGDIQPGSA-N 2 0 302.462 2.933 20 0 DFADRP C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC2C[C@H]3CC[C@@H](C2)[N@H+]3C)C1 ZINC000249000407 146183120 /nfs/dbraw/zinc/18/31/20/146183120.db2.gz QILDBPVRZKIGCI-VUCRHFMTSA-N 2 0 307.526 2.958 20 0 DFADRP CC[N@@H+]1CC[C@H](NC[C@H]2CC[NH+](Cc3ccccc3)C2)[C@@H](C)C1 ZINC000249163073 146189470 /nfs/dbraw/zinc/18/94/70/146189470.db2.gz ZNQLFWZCYAKVGK-SXLOBPIMSA-N 2 0 315.505 2.828 20 0 DFADRP C[C@H]([NH2+]C1CCC([NH3+])CC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000261539716 146237780 /nfs/dbraw/zinc/23/77/80/146237780.db2.gz DBBOAPHHHQZRQC-FLODPWGTSA-N 3 0 301.478 2.757 20 0 DFADRP [NH3+]C1CCC([NH2+]CC2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000261545025 146238551 /nfs/dbraw/zinc/23/85/51/146238551.db2.gz JLKJDPXYAJZCDL-UHFFFAOYSA-N 3 0 301.478 2.758 20 0 DFADRP C[C@H](C[C@@H]1CCC[NH2+]1)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000261556783 146241256 /nfs/dbraw/zinc/24/12/56/146241256.db2.gz WIJCUNJWJCMWFT-APWZRJJASA-N 2 0 301.478 2.771 20 0 DFADRP COc1cccc(-c2nc(CN3CC[C@](C)(C[NH3+])C3)cs2)c1 ZINC000261605551 146245705 /nfs/dbraw/zinc/24/57/05/146245705.db2.gz AMRWVUAQZRBSOB-QGZVFWFLSA-N 2 0 317.458 2.989 20 0 DFADRP COc1ccc2cc(CN3CC[C@@H](OC)C[C@@H]3C[NH3+])ccc2c1 ZINC000261610632 146246713 /nfs/dbraw/zinc/24/67/13/146246713.db2.gz BBPANGOJQXIEAT-IEBWSBKVSA-N 2 0 314.429 2.787 20 0 DFADRP CC(=O)Nc1ccccc1C[N@@H+]1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000261616657 146247031 /nfs/dbraw/zinc/24/70/31/146247031.db2.gz CSUKPFYBMPVQHK-MOPGFXCFSA-N 2 0 323.440 2.819 20 0 DFADRP c1ccc(C[N@@H+](C[C@@H]2CCSC2)[C@H]2CCC[NH2+]CC2)nc1 ZINC000261650382 146253409 /nfs/dbraw/zinc/25/34/09/146253409.db2.gz BAPWCTISTPUYDP-RDJZCZTQSA-N 2 0 305.491 2.779 20 0 DFADRP C[C@]1(C[NH3+])CC[N@H+](CCc2nc(-c3ccc(Cl)cc3)no2)C1 ZINC000261685407 146259796 /nfs/dbraw/zinc/25/97/96/146259796.db2.gz KGDSTBQTGQBKEH-MRXNPFEDSA-N 2 0 320.824 2.603 20 0 DFADRP COc1ccc(CN2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)c(Cl)c1OC ZINC000261710936 146263614 /nfs/dbraw/zinc/26/36/14/146263614.db2.gz PBTGIHRLJJOZKX-CYZMBNFOSA-N 2 0 310.825 2.526 20 0 DFADRP C[C@H]([NH3+])CC(=O)NCc1ccc(C[N@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000261724755 146266053 /nfs/dbraw/zinc/26/60/53/146266053.db2.gz FMQQBJRPKJRFMJ-XHSDSOJGSA-N 2 0 317.477 2.518 20 0 DFADRP C[C@@H]([NH3+])CC(=O)NCc1ccc(C[N@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000261724752 146266465 /nfs/dbraw/zinc/26/64/65/146266465.db2.gz FMQQBJRPKJRFMJ-OWCLPIDISA-N 2 0 317.477 2.518 20 0 DFADRP [NH3+][C@@H]1CC[C@@H]2C[N@H+](Cc3cccc(OC(F)(F)F)c3)C[C@@H]12 ZINC000261773625 146274445 /nfs/dbraw/zinc/27/44/45/146274445.db2.gz WFDPWWWRSOESFJ-MRVWCRGKSA-N 2 0 300.324 2.754 20 0 DFADRP COCc1cccc(OCC2(CN3CCC[C@@H]3C[NH3+])CCC2)c1 ZINC000261827887 146285057 /nfs/dbraw/zinc/28/50/57/146285057.db2.gz ADCZJMSKYPETQX-QGZVFWFLSA-N 2 0 318.461 2.805 20 0 DFADRP C[C@H](c1cccc(C(F)(F)F)c1)[N@H+](C)CCN1CC[NH2+]CC1 ZINC000261853286 146288555 /nfs/dbraw/zinc/28/85/55/146288555.db2.gz DVGYVQIRRJSPJQ-CYBMUJFWSA-N 2 0 315.383 2.603 20 0 DFADRP C[N@H+](CCCNC(=O)[C@@H]1C[C@H]2CCCC[C@H]2[NH2+]1)C1CCCCC1 ZINC000261850235 146288677 /nfs/dbraw/zinc/28/86/77/146288677.db2.gz ZSUNVGLHMOCKGN-NXHRZFHOSA-N 2 0 321.509 2.678 20 0 DFADRP CC(C)c1cccc(NC(=O)CN2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)c1 ZINC000261863941 146290454 /nfs/dbraw/zinc/29/04/54/146290454.db2.gz KOLNAQVSFYVDOO-SZMVWBNQSA-N 2 0 315.461 2.808 20 0 DFADRP C[N@H+](C[C@]1(C)CC[NH2+]C1)[C@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000261881837 146295055 /nfs/dbraw/zinc/29/50/55/146295055.db2.gz RCOHASOUYKRSHB-RCCFBDPRSA-N 2 0 306.425 2.977 20 0 DFADRP C[N@H+](C[C@]1(C)CC[NH2+]C1)[C@@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000261881831 146295488 /nfs/dbraw/zinc/29/54/88/146295488.db2.gz RCOHASOUYKRSHB-KZNAEPCWSA-N 2 0 306.425 2.977 20 0 DFADRP COc1cccc(CN2C[C@@H](c3ccccc3)[C@H]([NH3+])C2)c1OC ZINC000261899728 146297774 /nfs/dbraw/zinc/29/77/74/146297774.db2.gz WNNNHLARNILQLZ-DLBZAZTESA-N 2 0 312.413 2.631 20 0 DFADRP C[N@@H+](Cc1ccccc1)CC1CC[NH+](C[C@]2(C)CC[NH2+]C2)CC1 ZINC000261908137 146298869 /nfs/dbraw/zinc/29/88/69/146298869.db2.gz XNOXYXPYHUVILD-HXUWFJFHSA-N 2 0 315.505 2.830 20 0 DFADRP CC[N@H+](Cc1ccc2c(c1)sc(=O)n2C)[C@@H]1CCC[NH2+]CC1 ZINC000261930731 146304025 /nfs/dbraw/zinc/30/40/25/146304025.db2.gz LOGLRFBMRMUHHQ-CQSZACIVSA-N 2 0 319.474 2.564 20 0 DFADRP CCOc1cc(C)ccc1C[NH2+][C@@H]1CCC[C@@H]1[C@H]1COCCN1 ZINC000261939809 146305487 /nfs/dbraw/zinc/30/54/87/146305487.db2.gz MQOBPNALFSHUDO-RCCFBDPRSA-N 2 0 318.461 2.640 20 0 DFADRP C[NH2+]CCC1CC[NH+](CC(=O)Nc2cc(C)cc(C)c2)CC1 ZINC000261965075 146311707 /nfs/dbraw/zinc/31/17/07/146311707.db2.gz ARNXEIWFDOOKML-UHFFFAOYSA-N 2 0 303.450 2.563 20 0 DFADRP Cc1[nH+]ccc(N2CCC(OCCC[NH+](C)C)CC2)c1Cl ZINC000354133081 146916725 /nfs/dbraw/zinc/91/67/25/146916725.db2.gz ZQDUMPVRVQMLPP-UHFFFAOYSA-N 2 0 311.857 2.981 20 0 DFADRP C[NH2+]CCC1CC[NH+](CCC(=O)Nc2ccc(Cl)cc2)CC1 ZINC000261988318 146316816 /nfs/dbraw/zinc/31/68/16/146316816.db2.gz KTXVMYXLFOVLFC-UHFFFAOYSA-N 2 0 323.868 2.990 20 0 DFADRP C[NH2+]CCC1CC[NH+]([C@@H](C)C(=O)Nc2cccc(Cl)c2)CC1 ZINC000261988469 146317819 /nfs/dbraw/zinc/31/78/19/146317819.db2.gz KYLDOMSXMOTTGD-ZDUSSCGKSA-N 2 0 323.868 2.989 20 0 DFADRP COc1cc2c(c(C[N@@H+]3CCC4(C3)CC[NH2+]CC4)c1)O[C@@H](C)C2 ZINC000262010727 146322141 /nfs/dbraw/zinc/32/21/41/146322141.db2.gz MFAPIACHISODNN-AWEZNQCLSA-N 2 0 316.445 2.594 20 0 DFADRP C[C@@H]1C[N@H+](CC2CC[NH2+]CC2)[C@H](C)CN1Cc1ccccc1 ZINC000262014958 146322564 /nfs/dbraw/zinc/32/25/64/146322564.db2.gz VPRKJQXDSGLVAM-IAGOWNOFSA-N 2 0 301.478 2.581 20 0 DFADRP C[NH2+]C[C@@H]1CCC[N@H+](Cc2ccc(C)cc2-c2ccnn2C)C1 ZINC000262039330 146325866 /nfs/dbraw/zinc/32/58/66/146325866.db2.gz YCMBFYHVTXUFRL-INIZCTEOSA-N 2 0 312.461 2.827 20 0 DFADRP Clc1oc2ccccc2c1C[N@@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000262066553 146329884 /nfs/dbraw/zinc/32/98/84/146329884.db2.gz BGBPDOGNZNBMOF-ZDUSSCGKSA-N 2 0 319.836 2.566 20 0 DFADRP CCCOc1ccc(OCC[N@H+](C)[C@H]2CCC[NH2+]CC2)cc1 ZINC000262531334 146367771 /nfs/dbraw/zinc/36/77/71/146367771.db2.gz PQHDEYBISSXBNX-INIZCTEOSA-N 2 0 306.450 2.928 20 0 DFADRP C[C@H]1CCCC[N@@H+]1CCCCNC(=O)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000262635837 146379606 /nfs/dbraw/zinc/37/96/06/146379606.db2.gz HYDYWGQWIDUIJP-OOKSDGMUSA-N 2 0 321.509 2.678 20 0 DFADRP CCC[C@@](C)([NH3+])C(=O)NC1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000262707271 146384121 /nfs/dbraw/zinc/38/41/21/146384121.db2.gz NGTBLBNNKVYGAA-HNAYVOBHSA-N 2 0 317.477 2.846 20 0 DFADRP CCC[C@](C)([NH3+])C(=O)N1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000262710873 146384224 /nfs/dbraw/zinc/38/42/24/146384224.db2.gz QLDJYTXYFFMQJZ-RYRKJORJSA-N 2 0 309.498 2.617 20 0 DFADRP CC[NH+]1CCN(c2ccccc2C[N@@H+]2CCC[C@H]2CF)CC1 ZINC000354520865 147065195 /nfs/dbraw/zinc/06/51/95/147065195.db2.gz LHBRARCLJOWASQ-KRWDZBQOSA-N 2 0 305.441 2.762 20 0 DFADRP C[C@@H]1CC[C@H](C[N@H+](C)[C@H]2CCC[NH+](C[C@H]3CC[C@@H](C)O3)CC2)O1 ZINC000354673008 147112661 /nfs/dbraw/zinc/11/26/61/147112661.db2.gz NCWOVLSIHJWUCV-UJWQCDCRSA-N 2 0 324.509 2.908 20 0 DFADRP C[C@@H]1CC[C@H](C[NH+]2CCC[C@H]([N@@H+](C)C[C@@H]3CC[C@@H](C)O3)CC2)O1 ZINC000354673011 147112928 /nfs/dbraw/zinc/11/29/28/147112928.db2.gz NCWOVLSIHJWUCV-ZSXDVEMLSA-N 2 0 324.509 2.908 20 0 DFADRP Cc1cnc(C[N@H+](C)CC2CCN(c3cc[nH+]cc3)CC2)cn1 ZINC000354873902 147186514 /nfs/dbraw/zinc/18/65/14/147186514.db2.gz AZUYFDFYOHFGJR-UHFFFAOYSA-N 2 0 311.433 2.528 20 0 DFADRP C[N@@H+]1CCCC[C@@H]1CCC(=O)N1CC[NH+](C2CCCCC2)CC1 ZINC000354924283 147197247 /nfs/dbraw/zinc/19/72/47/147197247.db2.gz WOPWNEKLDWXGSZ-QGZVFWFLSA-N 2 0 321.509 2.728 20 0 DFADRP C[C@H]([NH2+]C[C@@H]1CC[N@H+](Cc2ccccc2)C1)[C@@H]1CCCOC1 ZINC000355228731 147232368 /nfs/dbraw/zinc/23/23/68/147232368.db2.gz WQNOYJZORHUGQJ-YTQUADARSA-N 2 0 302.462 2.913 20 0 DFADRP CC[NH+](CC)[C@H](C)CNCc1nc2c(s1)C[N@@H+](C(C)C)CC2 ZINC000355282954 147251055 /nfs/dbraw/zinc/25/10/55/147251055.db2.gz BDHBSQWXWZBIAK-CQSZACIVSA-N 2 0 324.538 2.730 20 0 DFADRP CC[NH+](CC)[C@H](C)CN[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000355330369 147268116 /nfs/dbraw/zinc/26/81/16/147268116.db2.gz CDWZDOMAAYIIQY-ZHALLVOQSA-N 2 0 303.494 2.827 20 0 DFADRP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)N1CC[NH+](CC2CCCCC2)CC1 ZINC000355405467 147302239 /nfs/dbraw/zinc/30/22/39/147302239.db2.gz ATORFROJABYDHR-IAGOWNOFSA-N 2 0 321.509 2.584 20 0 DFADRP CCC1CCC([N@H+](C)CC(=O)NC2CC[NH+](C3CC3)CC2)CC1 ZINC000355447679 147320486 /nfs/dbraw/zinc/32/04/86/147320486.db2.gz ZSJRIASVIHUGEN-UHFFFAOYSA-N 2 0 321.509 2.630 20 0 DFADRP OC[C@@H](CC1CCC1)[NH2+][C@H]1CCCN(Cc2ccccc2)C1 ZINC000355509393 147342617 /nfs/dbraw/zinc/34/26/17/147342617.db2.gz AXXUICYXYDUFCO-RBUKOAKNSA-N 2 0 302.462 2.792 20 0 DFADRP CC[NH+](CC)[C@@H](C(=O)NCCC[N@H+](C)C(C)C)c1ccccc1 ZINC000355562946 147363901 /nfs/dbraw/zinc/36/39/01/147363901.db2.gz GMFOTVSYANEUGQ-GOSISDBHSA-N 2 0 319.493 2.916 20 0 DFADRP COc1c[nH+]ccc1N1CC[NH+](Cc2ccc3c(c2)CCC3)CC1 ZINC000355653009 147397927 /nfs/dbraw/zinc/39/79/27/147397927.db2.gz DWKFAAVGXNEIBN-UHFFFAOYSA-N 2 0 323.440 2.901 20 0 DFADRP C[C@H]([NH2+]C[C@H]1CCCC[N@H+](C)C1)c1ccc([S@](C)=O)cc1 ZINC000599072025 543468473 /nfs/dbraw/zinc/46/84/73/543468473.db2.gz WVFJNWYIZFSDTL-ZSDSOXJFSA-N 2 0 308.491 2.807 20 0 DFADRP C[C@@H](O)C[N@H+](C)C1CC[NH+]([C@H]2CCCc3ccccc32)CC1 ZINC000357635816 148065544 /nfs/dbraw/zinc/06/55/44/148065544.db2.gz KCSSPJLOYWXYSE-BEFAXECRSA-N 2 0 302.462 2.841 20 0 DFADRP C[C@@H](C[NH2+]Cc1cc(C2CC[NH2+]CC2)no1)Oc1ccccc1 ZINC000425894938 296603182 /nfs/dbraw/zinc/60/31/82/296603182.db2.gz HRQWMFVHIQAEGO-AWEZNQCLSA-N 2 0 315.417 2.699 20 0 DFADRP CC(C)C(=O)Nc1ccc(C[NH2+][C@@H]2CC[N@H+](C)C[C@@H]2C)cc1 ZINC000358002571 148207511 /nfs/dbraw/zinc/20/75/11/148207511.db2.gz GRNTZCUAKWSGDV-WMLDXEAASA-N 2 0 303.450 2.711 20 0 DFADRP CC[NH+]1CCN([C@H]2CC[N@H+](Cc3ccccc3SC)C2)CC1 ZINC000358064223 148231493 /nfs/dbraw/zinc/23/14/93/148231493.db2.gz LGJNTAGRKPWGJC-KRWDZBQOSA-N 2 0 319.518 2.620 20 0 DFADRP CC(C)CC[C@H]([NH3+])C(=O)Nc1cc(C[NH3+])cc(C(F)(F)F)c1 ZINC000638211834 543498224 /nfs/dbraw/zinc/49/82/24/543498224.db2.gz VISCDJNGWKHCSJ-ZDUSSCGKSA-N 2 0 317.355 2.866 20 0 DFADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]CC(C)(C)C[C@H](C)O)[C@H](C)C1 ZINC000358168854 148267923 /nfs/dbraw/zinc/26/79/23/148267923.db2.gz OBTFXQPAMJNVRQ-IKGGRYGDSA-N 2 0 314.514 2.510 20 0 DFADRP CCC1(C[NH2+][C@@H](C)CC(N)=O)CC[NH+](Cc2ccccc2)CC1 ZINC000358225953 148292887 /nfs/dbraw/zinc/29/28/87/148292887.db2.gz NCHJVFUHCIANAV-INIZCTEOSA-N 2 0 317.477 2.532 20 0 DFADRP Cn1cc(-c2cccc(C[NH2+][C@@H]3CC[N@@H+]4CCC[C@H]4C3)c2)cn1 ZINC000358238240 148298654 /nfs/dbraw/zinc/29/86/54/148298654.db2.gz FBZPDZPDDUAFOT-MOPGFXCFSA-N 2 0 310.445 2.804 20 0 DFADRP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+](C)CCc1ccccn1 ZINC000350354560 286030962 /nfs/dbraw/zinc/03/09/62/286030962.db2.gz LPUIUEFIXIQPEY-UHFFFAOYSA-N 2 0 307.401 2.645 20 0 DFADRP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+](C)CCc1ccncc1 ZINC000350357743 286031392 /nfs/dbraw/zinc/03/13/92/286031392.db2.gz PVOJNIUOSOGSMV-UHFFFAOYSA-N 2 0 307.401 2.645 20 0 DFADRP Cc1nc(C)c([C@H](C)NC2CC[NH+]([C@H]3CCC[C@H]3O)CC2)s1 ZINC000358308817 148323212 /nfs/dbraw/zinc/32/32/12/148323212.db2.gz ZMJRASKQQPKNCC-VBNZEHGJSA-N 2 0 323.506 2.788 20 0 DFADRP CC[NH+](CC)CCOCC[NH2+]Cc1cc(C)c2ncccc2c1 ZINC000350313323 286027371 /nfs/dbraw/zinc/02/73/71/286027371.db2.gz GAIJCWRAJVZWCS-UHFFFAOYSA-N 2 0 315.461 2.991 20 0 DFADRP CC(=O)N1CC[C@H]([NH2+][C@@H]2C[C@H](C)[N@@H+](C)C[C@H]2C)c2ccccc21 ZINC000358352455 148338292 /nfs/dbraw/zinc/33/82/92/148338292.db2.gz JGDZVLGVFVVAFT-IDCJVQTKSA-N 2 0 315.461 2.803 20 0 DFADRP CC(=O)N1CC[C@H]([NH2+][C@@H]2C[C@@H](C)[N@@H+](C)C[C@H]2C)c2ccccc21 ZINC000358352460 148339007 /nfs/dbraw/zinc/33/90/07/148339007.db2.gz JGDZVLGVFVVAFT-KJWYOANISA-N 2 0 315.461 2.803 20 0 DFADRP C[NH+]1CCC(O)(C[NH2+]Cc2ccc(-c3cccs3)cc2)CC1 ZINC000657372296 543517336 /nfs/dbraw/zinc/51/73/36/543517336.db2.gz RZHLKXQEEVROLD-UHFFFAOYSA-N 2 0 316.470 2.961 20 0 DFADRP c1cc2c(cc1[C@H]1CCC[N@H+]1CCC1CC[NH2+]CC1)OCCO2 ZINC000359213038 148600306 /nfs/dbraw/zinc/60/03/06/148600306.db2.gz OIPCYMJLXRSEIY-QGZVFWFLSA-N 2 0 316.445 2.984 20 0 DFADRP CC[NH+]1CCC(CCNC(=O)[C@H](C(C)C)[NH+]2CCCCC2)CC1 ZINC000359498616 148675620 /nfs/dbraw/zinc/67/56/20/148675620.db2.gz YFOQWKMOTMYTSO-SFHVURJKSA-N 2 0 323.525 2.735 20 0 DFADRP Cc1n[nH]cc1C[N@@H+]1CCCC[C@@H]1[C@H](C[NH3+])Cc1ccccc1 ZINC000350556398 286057898 /nfs/dbraw/zinc/05/78/98/286057898.db2.gz LXKNRFXLHOEYIU-PKOBYXMFSA-N 2 0 312.461 2.890 20 0 DFADRP C[C@@H]1CCC[N@H+](CCCC[NH2+]Cc2cn(C)nc2C(F)F)C1 ZINC000360984538 149000166 /nfs/dbraw/zinc/00/01/66/149000166.db2.gz RKZLPMXVBQGGSS-CYBMUJFWSA-N 2 0 314.424 2.959 20 0 DFADRP O[C@@H]1CC[N@H+](Cc2cccc(NCc3cn4ccccc4n3)c2)C1 ZINC000361044067 149016503 /nfs/dbraw/zinc/01/65/03/149016503.db2.gz JRKGNSNKIGIVLZ-GOSISDBHSA-N 2 0 322.412 2.513 20 0 DFADRP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1N(C)Cc1cncnc1 ZINC000361153394 149040670 /nfs/dbraw/zinc/04/06/70/149040670.db2.gz IUGVPBISVALSHR-QFBILLFUSA-N 2 0 310.445 2.819 20 0 DFADRP [NH3+]CC[C@@H]1CCC[N@H+](Cc2cccc(F)c2OC(F)F)C1 ZINC000662271410 543535026 /nfs/dbraw/zinc/53/50/26/543535026.db2.gz FSEQBCCUBFCSON-NSHDSACASA-N 2 0 302.340 2.988 20 0 DFADRP C[N@@H+]1CCCC[C@@H]1CC[NH+]1CCC(OC[C@H]2CCCO2)CC1 ZINC000361331085 149087860 /nfs/dbraw/zinc/08/78/60/149087860.db2.gz LMUYKBUJIDIVDA-SJLPKXTDSA-N 2 0 310.482 2.521 20 0 DFADRP C[NH+](C)C1(CNC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)CCCC1 ZINC000361541331 149141695 /nfs/dbraw/zinc/14/16/95/149141695.db2.gz OGHAFOWZSNRYMM-MRXNPFEDSA-N 2 0 321.509 2.632 20 0 DFADRP CN(C)c1nccc(N2CC[NH+](CCCC3CCCC3)CC2)n1 ZINC000361541320 149141752 /nfs/dbraw/zinc/14/17/52/149141752.db2.gz OENYEYAUXMUHOU-UHFFFAOYSA-N 2 0 317.481 2.635 20 0 DFADRP C[NH+](C)Cc1ccc(-c2noc([C@H](C[NH3+])c3ccccc3)n2)cc1 ZINC000350781509 286087261 /nfs/dbraw/zinc/08/72/61/286087261.db2.gz GIDMUMDRRZTSBM-QGZVFWFLSA-N 2 0 322.412 2.889 20 0 DFADRP CCN(C)c1ccc(C[N@@H+]2CCCC23CC[NH+](C)CC3)cn1 ZINC000361605734 149165074 /nfs/dbraw/zinc/16/50/74/149165074.db2.gz YAWQWKIRQOYYJZ-UHFFFAOYSA-N 2 0 302.466 2.598 20 0 DFADRP C[C@H]1C[N@H+](CC(C)(C)C[NH+](C)Cc2ccccc2)C[C@@H]1CO ZINC000361663886 149185283 /nfs/dbraw/zinc/18/52/83/149185283.db2.gz XWSPYRNGABHFAE-FUHWJXTLSA-N 2 0 304.478 2.705 20 0 DFADRP Cc1csc(N2CCC[N@H+](CCCn3ccnc3C)CC2)n1 ZINC000361767188 149214116 /nfs/dbraw/zinc/21/41/16/149214116.db2.gz LYJQUFFEWJJQQD-UHFFFAOYSA-N 2 0 319.478 2.559 20 0 DFADRP Cc1cc(-n2ccnc2)ccc1CN1CCc2cncnc2C1 ZINC000361829020 149231075 /nfs/dbraw/zinc/23/10/75/149231075.db2.gz MUAZGCRCWYRGNP-UHFFFAOYSA-N 2 0 305.385 2.529 20 0 DFADRP C[NH+](C)[C@@H]1CCC[C@@H]([NH2+]C2CCN(Cc3ccccn3)CC2)C1 ZINC000361966631 149267427 /nfs/dbraw/zinc/26/74/27/149267427.db2.gz NPNMYKKNFXNQRL-IEBWSBKVSA-N 2 0 316.493 2.508 20 0 DFADRP Cc1ccc(CN[C@@H]2CC[N@@H+](C)C[C@H]2C)c(O[C@@H]2CCOC2)c1 ZINC000361983839 149270940 /nfs/dbraw/zinc/27/09/40/149270940.db2.gz QIKZKCBZAISHBG-KBAYOESNSA-N 2 0 318.461 2.593 20 0 DFADRP C[N@@H+]1CCCC[C@H]1CCC(=O)N1CCC[NH+](CC2CCC2)CC1 ZINC000351051080 286106498 /nfs/dbraw/zinc/10/64/98/286106498.db2.gz DHUVUOCWCGKETJ-SFHVURJKSA-N 2 0 321.509 2.585 20 0 DFADRP CC(C)CCC[C@@H](C)NC(=O)CN1CCC[C@@H](c2ncc[nH]2)C1 ZINC000362865643 149384989 /nfs/dbraw/zinc/38/49/89/149384989.db2.gz SACNBWXVJOZEIP-HZPDHXFCSA-N 2 0 320.481 2.920 20 0 DFADRP COCCC[NH+]1CCC([NH2+]Cc2cc3ccc(F)cc3[nH]2)CC1 ZINC000362923563 149398235 /nfs/dbraw/zinc/39/82/35/149398235.db2.gz KMODLHZQSSTMGR-UHFFFAOYSA-N 2 0 319.424 2.898 20 0 DFADRP Fc1ccc2cc(C[NH2+]CCCC[NH+]3CCOCC3)[nH]c2c1 ZINC000362924772 149399661 /nfs/dbraw/zinc/39/96/61/149399661.db2.gz ZWJISNGYNAZNLN-UHFFFAOYSA-N 2 0 305.397 2.509 20 0 DFADRP CC(C)[NH+]1CCN(CCC[N@@H+]2CCC[C@@H]2c2ccc[nH]2)CC1 ZINC000351270183 286119441 /nfs/dbraw/zinc/11/94/41/286119441.db2.gz NMEXXDMCUPALIM-GOSISDBHSA-N 2 0 304.482 2.568 20 0 DFADRP C[N@@H+]1CCCC[C@H]1CC[NH+]1CCC(OC[C@@H]2CCCCO2)CC1 ZINC000351336751 286121908 /nfs/dbraw/zinc/12/19/08/286121908.db2.gz ZYFTUWJKBKCEMA-HKUYNNGSSA-N 2 0 324.509 2.911 20 0 DFADRP [NH3+][C@@H]1CC[C@H]2C[N@H+](Cc3cccc(OCC(F)(F)F)c3)C[C@H]12 ZINC000351472246 286128528 /nfs/dbraw/zinc/12/85/28/286128528.db2.gz AHTUXBPBOLYIDR-AEGPPILISA-N 2 0 314.351 2.797 20 0 DFADRP C[C@@H]([NH2+]C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C1CCOCC1 ZINC000369140648 149744747 /nfs/dbraw/zinc/74/47/47/149744747.db2.gz UNTRUKVRQDGYGJ-AEFFLSMTSA-N 2 0 302.462 2.913 20 0 DFADRP COc1ccc(-c2cnc(CN3C[C@@H]4CC[C@@H]([NH3+])[C@@H]4C3)o2)cc1 ZINC000351494134 286135106 /nfs/dbraw/zinc/13/51/06/286135106.db2.gz NLQSHABKRDFJLR-NUEKZKHPSA-N 2 0 313.401 2.519 20 0 DFADRP COc1ccc(CN2C[C@@H]3C[N@@H+]4CCCC[C@H]4[C@H]3C2)c(OC)c1 ZINC000371402775 150040043 /nfs/dbraw/zinc/04/00/43/150040043.db2.gz BFZVWJFQTXUKCX-NJAFHUGGSA-N 2 0 316.445 2.620 20 0 DFADRP CCOC(=O)CCCC[NH+]1CCC2(C[C@H]2C[N@H+](C)C2CC2)CC1 ZINC000371418647 150044344 /nfs/dbraw/zinc/04/43/44/150044344.db2.gz PPLGCBMCFDXAMT-INIZCTEOSA-N 2 0 322.493 2.916 20 0 DFADRP CCO[C@@H]1C[C@@H]([NH2+]CCc2cn3c(n2)CCCC3)C12CCC2 ZINC000371506621 150057593 /nfs/dbraw/zinc/05/75/93/150057593.db2.gz TVJUUGDSQPVNDN-HZPDHXFCSA-N 2 0 303.450 2.699 20 0 DFADRP CC1(C)[C@H]([NH2+]CCc2cn3c(n2)CCCC3)[C@H]2CCCO[C@@H]21 ZINC000371506567 150057733 /nfs/dbraw/zinc/05/77/33/150057733.db2.gz SNXKKMOVNGKJLI-OIISXLGYSA-N 2 0 303.450 2.555 20 0 DFADRP CCC[C@H](C(=O)Nc1cccc2c1C[N@@H+](C1CC1)C2)[NH+](C)C ZINC000371550627 150063722 /nfs/dbraw/zinc/06/37/22/150063722.db2.gz CJFXPWQCEUNRHH-QGZVFWFLSA-N 2 0 301.434 2.833 20 0 DFADRP C[C@@H]1CN(Cc2ccc(F)c(F)c2)CCN1C1CC[NH+](C)CC1 ZINC000371692251 150081602 /nfs/dbraw/zinc/08/16/02/150081602.db2.gz HIJFZPKWCBJRKZ-CQSZACIVSA-N 2 0 323.431 2.565 20 0 DFADRP CCn1cc(C[N@H+](C)CC2CCN(c3cc[nH+]cc3)CC2)cn1 ZINC000371898419 150110605 /nfs/dbraw/zinc/11/06/05/150110605.db2.gz DEOSHRXEDMHRKQ-UHFFFAOYSA-N 2 0 313.449 2.646 20 0 DFADRP C[N@@H+]1CC[C@H](CNC(=O)CCCCCC[NH3+])[C@H]1c1cccs1 ZINC000372098238 150136944 /nfs/dbraw/zinc/13/69/44/150136944.db2.gz HXPZTXPAAJOXBR-PBHICJAKSA-N 2 0 323.506 2.766 20 0 DFADRP CCCC[N@H+](CCC(=O)N1CC[NH2+]CC1)[C@H](C)c1ccccc1 ZINC000351604720 286166892 /nfs/dbraw/zinc/16/68/92/286166892.db2.gz VLUOREBBDYUZLZ-QGZVFWFLSA-N 2 0 317.477 2.672 20 0 DFADRP CCC(=O)N1CCC[C@H]1[C@@H]1CCC[N@H+]1CCC[NH+](CC)CC ZINC000372947133 150206296 /nfs/dbraw/zinc/20/62/96/150206296.db2.gz JHHKRFGLANIGBT-IRXDYDNUSA-N 2 0 309.498 2.584 20 0 DFADRP CCN(C(=O)CN1CCC[C@H]([NH+](C)C)CC1)C1CCCCC1 ZINC000372989799 150212569 /nfs/dbraw/zinc/21/25/69/150212569.db2.gz MJRSZNACANRIHN-INIZCTEOSA-N 2 0 309.498 2.584 20 0 DFADRP C[NH+]1[C@@H]2CC[C@H]1CC(NC[C@@H]1CC[N@@H+](C)[C@H]1c1cccs1)C2 ZINC000373182837 150242557 /nfs/dbraw/zinc/24/25/57/150242557.db2.gz MCRXJVCJYDYLGO-XTOXLMAPSA-N 3 0 319.518 2.956 20 0 DFADRP CC(=O)NC1CCC([NH2+]C[C@@H]2CCC[N@@H+]2C2CCCCC2)CC1 ZINC000373903157 150274837 /nfs/dbraw/zinc/27/48/37/150274837.db2.gz JZYQHTAIFLMCJP-TVPLGVNVSA-N 2 0 321.509 2.820 20 0 DFADRP CC[C@H](C)NC(=[NH2+])NC[C@]1(C)CC[N@H+](Cc2ccccc2)C1 ZINC000374006043 150291716 /nfs/dbraw/zinc/29/17/16/150291716.db2.gz ODZCXUIKYYGASA-YJBOKZPZSA-N 2 0 302.466 2.811 20 0 DFADRP Cc1nn(C(C)C)cc1C[NH2+]Cc1ccc(-n2ccnc2)nc1 ZINC000374274485 150334287 /nfs/dbraw/zinc/33/42/87/150334287.db2.gz RXUWLODHRPOXFU-UHFFFAOYSA-N 2 0 310.405 2.643 20 0 DFADRP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@@H+]2CCCc1ccccc1 ZINC000374418685 150363436 /nfs/dbraw/zinc/36/34/36/150363436.db2.gz FEABBONCHDAYOS-CEXWTWQISA-N 2 0 302.462 2.803 20 0 DFADRP CC1CCC(N(C)C(=O)CN2CCC3(CCC[N@@H+]3C)CC2)CC1 ZINC000374981990 150378451 /nfs/dbraw/zinc/37/84/51/150378451.db2.gz SJCSMBSKMKVFPO-UHFFFAOYSA-N 2 0 321.509 2.584 20 0 DFADRP O[C@@]1(c2ccccc2)CCC[N@H+](CCC[NH+]2CCCC2)CC1 ZINC000375085966 150399432 /nfs/dbraw/zinc/39/94/32/150399432.db2.gz XCPATAVNCIYZIE-IBGZPJMESA-N 2 0 302.462 2.846 20 0 DFADRP Cc1nocc1C[NH+]1CCC(CC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000351732863 286205303 /nfs/dbraw/zinc/20/53/03/286205303.db2.gz UPXKJEZCLJYICK-HUUCEWRRSA-N 2 0 321.465 2.694 20 0 DFADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CC2CC(OCC)C2)[C@@H](C)C1 ZINC000351821222 286226360 /nfs/dbraw/zinc/22/63/60/286226360.db2.gz GYZZHLDDPUOLLH-FCCDEINASA-N 2 0 312.498 2.528 20 0 DFADRP C[C@H]([NH3+])[C@H]1CC[N@H+](Cc2cccc(OCC(F)(F)F)c2)C1 ZINC000351857234 286233243 /nfs/dbraw/zinc/23/32/43/286233243.db2.gz XBKBZIKDTOHWOH-AAEUAGOBSA-N 2 0 302.340 2.797 20 0 DFADRP C[C@H]([NH3+])[C@@H]1CC[N@H+](CCOc2ccc(OC(F)(F)F)cc2)C1 ZINC000351862784 286233945 /nfs/dbraw/zinc/23/39/45/286233945.db2.gz QOHSWLBWQQXNEN-NWDGAFQWSA-N 2 0 318.339 2.633 20 0 DFADRP C[C@@H]([NH3+])[C@H]1CC[N@H+](CCOc2ccc(OC(F)(F)F)cc2)C1 ZINC000351862783 286233983 /nfs/dbraw/zinc/23/39/83/286233983.db2.gz QOHSWLBWQQXNEN-NEPJUHHUSA-N 2 0 318.339 2.633 20 0 DFADRP C[C@@H]1CCC[C@](CNC(=O)CC[C@@H]2CCCC[N@@H+]2C)([NH+](C)C)C1 ZINC000352215471 286319942 /nfs/dbraw/zinc/31/99/42/286319942.db2.gz DUXYFLDPZVHVKI-AOIWGVFYSA-N 2 0 323.525 2.878 20 0 DFADRP CCC[C@H]([NH2+]C(C)C)C(=O)N1CCC([NH+]2CCCCC2)CC1 ZINC000352216402 286320172 /nfs/dbraw/zinc/32/01/72/286320172.db2.gz HONKKUXMVWQVJW-KRWDZBQOSA-N 2 0 309.498 2.630 20 0 DFADRP C[N@@H+]1CCCC[C@@H]1CCC(=O)N1CCC([NH+]2CCCCC2)CC1 ZINC000352219994 286321424 /nfs/dbraw/zinc/32/14/24/286321424.db2.gz UNZNVJSNECBFTA-QGZVFWFLSA-N 2 0 321.509 2.728 20 0 DFADRP O[C@H](C[NH2+]C1CC(c2ccccc2Cl)C1)C[NH+]1CCCC1 ZINC000352221826 286321690 /nfs/dbraw/zinc/32/16/90/286321690.db2.gz OALNAKQGVKZSGY-YMAMQOFZSA-N 2 0 308.853 2.632 20 0 DFADRP CCC[NH+]1CCN(c2ccccc2C[N@H+](C)[C@H](C)COC)CC1 ZINC000352311770 286342000 /nfs/dbraw/zinc/34/20/00/286342000.db2.gz ZADAHFKDXAUKHD-QGZVFWFLSA-N 2 0 319.493 2.685 20 0 DFADRP CC[NH+](CC)CCOC1CC[NH+]([C@H](C)c2cnc(C)cn2)CC1 ZINC000428235079 296686546 /nfs/dbraw/zinc/68/65/46/296686546.db2.gz BPYOOGAKFNUOJR-MRXNPFEDSA-N 2 0 320.481 2.669 20 0 DFADRP Cn1nccc1-c1ccccc1C[NH2+]CCC1CC[NH+](C)CC1 ZINC000352450579 286377121 /nfs/dbraw/zinc/37/71/21/286377121.db2.gz RTWUUFQYSBOVKY-UHFFFAOYSA-N 2 0 312.461 2.909 20 0 DFADRP OCC[NH+]1CCC(C[NH2+]Cc2cscc2C(F)(F)F)CC1 ZINC000352821228 286476307 /nfs/dbraw/zinc/47/63/07/286476307.db2.gz GVZCWGGMVIHHIX-UHFFFAOYSA-N 2 0 322.396 2.561 20 0 DFADRP CC1=C[C@H](C)C[C@H](C[NH2+]C2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)C1 ZINC000352836901 286480949 /nfs/dbraw/zinc/48/09/49/286480949.db2.gz KWPRKYLCCKMMJV-CBVHJVASSA-N 2 0 306.494 2.946 20 0 DFADRP CCO[C@H]1C[C@@H]([NH2+]C2CC[NH+](C(C)(C)C)CC2)C12CCOCC2 ZINC000186394554 286488663 /nfs/dbraw/zinc/48/86/63/286488663.db2.gz NPAWIDIVCLXVRL-SJORKVTESA-N 2 0 324.509 2.813 20 0 DFADRP C[C@@H]([NH2+]C1CCC([NH+](C)C)CC1)c1ccc(S(C)(=O)=O)cc1 ZINC000353396753 286634082 /nfs/dbraw/zinc/63/40/82/286634082.db2.gz VCUUSOWCBIYEPK-IUDNXUCKSA-N 2 0 324.490 2.614 20 0 DFADRP C[NH+](C)C1(CNC(=O)[C@@H]2CCCCCC[C@H]2[NH3+])CCCCC1 ZINC000429759586 296757776 /nfs/dbraw/zinc/75/77/76/296757776.db2.gz QDAUXNBLAXRZGY-HZPDHXFCSA-N 2 0 309.498 2.665 20 0 DFADRP COCCC[NH+]1CCC([NH2+][C@@H]2C[C@H](OC(C)C)C2(C)C)CC1 ZINC000185214246 158048745 /nfs/dbraw/zinc/04/87/45/158048745.db2.gz BCCJDMYXTWJFAS-SJORKVTESA-N 2 0 312.498 2.669 20 0 DFADRP O=C1OCC[C@@H]1CC[N@@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000246932528 158107428 /nfs/dbraw/zinc/10/74/28/158107428.db2.gz MSOPJPBMMRXNIA-SJORKVTESA-N 2 0 308.466 2.528 20 0 DFADRP CC[N@@H+]1CC[C@H]([NH2+]Cc2cccc(Cn3cccn3)c2)[C@@H](C)C1 ZINC000246961883 158108703 /nfs/dbraw/zinc/10/87/03/158108703.db2.gz IPJLUASVDXBBGW-LPHOPBHVSA-N 2 0 312.461 2.751 20 0 DFADRP COc1ccc2c(c1)[C@@H]([NH2+]CCCC[N@@H+]1CCC[C@H]1CO)CC2 ZINC000248006660 158156786 /nfs/dbraw/zinc/15/67/86/158156786.db2.gz KVHWBBYWNGAGAV-LPHOPBHVSA-N 2 0 318.461 2.509 20 0 DFADRP C[C@@H]1C[C@H](NC[C@H](c2cccs2)[NH+]2CCCC2)CC[N@@H+]1C ZINC000248031284 158157142 /nfs/dbraw/zinc/15/71/42/158157142.db2.gz QMLLMNWKHNCOEB-BZUAXINKSA-N 2 0 307.507 2.957 20 0 DFADRP C[C@H](CCn1cccn1)[NH2+][C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000248401655 158172667 /nfs/dbraw/zinc/17/26/67/158172667.db2.gz MELWRVODBQREHZ-IKGGRYGDSA-N 2 0 304.482 2.904 20 0 DFADRP CCOC(CN1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C)C1)OCC ZINC000248395846 158172869 /nfs/dbraw/zinc/17/28/69/158172869.db2.gz JPEZKMPZJLHQLA-IAGOWNOFSA-N 2 0 312.498 2.972 20 0 DFADRP CC[C@@H]1CCC[C@H](C[N@@H+]2CC[C@@H](N3CC[NH+](CC)CC3)C2)C1 ZINC000248443782 158176297 /nfs/dbraw/zinc/17/62/97/158176297.db2.gz BHMOUDWRJXTHCV-CEXWTWQISA-N 2 0 307.526 2.915 20 0 DFADRP O[C@@H]1CCCC[C@H]1[NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]12 ZINC000248583122 158185831 /nfs/dbraw/zinc/18/58/31/158185831.db2.gz WOBKMHWOVIVDIS-LASHMREHSA-N 2 0 314.473 2.790 20 0 DFADRP OCCCC[NH2+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000248819657 158203247 /nfs/dbraw/zinc/20/32/47/158203247.db2.gz WIJMHSOQMFLVGN-CEXWTWQISA-N 2 0 302.462 2.649 20 0 DFADRP CC[NH+](CC)CCOc1ccccc1C[NH2+][C@H](C)CCOC ZINC000268783028 158209276 /nfs/dbraw/zinc/20/92/76/158209276.db2.gz QKWSFBRKWRNATO-MRXNPFEDSA-N 2 0 308.466 2.922 20 0 DFADRP CC(C)C[N@@H+]1CCC[C@H](CNC(=O)CC[C@H]2CCCC[NH+]2C)C1 ZINC000355152307 158285943 /nfs/dbraw/zinc/28/59/43/158285943.db2.gz RLZQDLKDTASJCJ-QZTJIDSGSA-N 2 0 323.525 2.735 20 0 DFADRP C[N@H+](CCC1CCN(c2cc[nH+]cc2)CC1)C[C@@H]1CCOC1 ZINC000357027084 158351771 /nfs/dbraw/zinc/35/17/71/158351771.db2.gz SBNKQSNGSCQLHJ-KRWDZBQOSA-N 2 0 303.450 2.656 20 0 DFADRP C[C@@H](C(=O)NCCC[NH+]1C[C@H](C)C[C@H](C)C1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000357040837 158354844 /nfs/dbraw/zinc/35/48/44/158354844.db2.gz OVNAZHATKHMDJL-RZFLPCETSA-N 2 0 323.525 2.732 20 0 DFADRP Clc1ccc2ncc(C[NH+]3CCC([C@H]4CC[NH2+]C4)CC3)n2c1 ZINC000357045754 158355603 /nfs/dbraw/zinc/35/56/03/158355603.db2.gz ICTBRAXOLAJUGC-AWEZNQCLSA-N 2 0 318.852 2.809 20 0 DFADRP Clc1ccc2nc(C[NH+]3CCC([C@H]4CC[NH2+]C4)CC3)cn2c1 ZINC000357046177 158356148 /nfs/dbraw/zinc/35/61/48/158356148.db2.gz IQCNSMNGHNYPFW-AWEZNQCLSA-N 2 0 318.852 2.809 20 0 DFADRP C[C@@H]1CCCC[N@@H+]1CCC(=O)NCCCCC[NH+]1CCCC1 ZINC000357063086 158358672 /nfs/dbraw/zinc/35/86/72/158358672.db2.gz XQLXFUKYWSBGOW-QGZVFWFLSA-N 2 0 309.498 2.633 20 0 DFADRP CCCn1nc(C)c(C[NH+]2CCC([C@H]3CC[NH2+]C3)CC2)c1C ZINC000357059401 158359428 /nfs/dbraw/zinc/35/94/28/158359428.db2.gz WZRXEHVQACDBJO-KRWDZBQOSA-N 2 0 304.482 2.731 20 0 DFADRP CC[NH2+]CC1CC[NH+]([C@H](C)C(=O)Nc2cccc(Cl)c2)CC1 ZINC000430565927 296795550 /nfs/dbraw/zinc/79/55/50/296795550.db2.gz QTMGCJZZZHSMFG-CYBMUJFWSA-N 2 0 323.868 2.989 20 0 DFADRP C[C@@H](CC(=O)Nc1ccc(CC[NH+](C)C)cc1)[C@H]1CCC[NH2+]C1 ZINC000430877519 296810065 /nfs/dbraw/zinc/81/00/65/296810065.db2.gz YRYNWHUMNBVIGX-RDJZCZTQSA-N 2 0 317.477 2.755 20 0 DFADRP C[C@@H]([NH3+])C1CC[NH+]([C@H](C)C(=O)Nc2cccc(Cl)c2)CC1 ZINC000430933919 296813097 /nfs/dbraw/zinc/81/30/97/296813097.db2.gz MWRAIOLATLCVDT-VXGBXAGGSA-N 2 0 309.841 2.726 20 0 DFADRP Cn1cc(C[NH+]2CCC3(CC[NH2+]C3)CC2)c(-c2ccccc2)n1 ZINC000430936128 296813681 /nfs/dbraw/zinc/81/36/81/296813681.db2.gz XMTVYAYGARTZOL-UHFFFAOYSA-N 2 0 310.445 2.663 20 0 DFADRP CC(C)[C@@H](NC(=O)C[NH+]1CCC([C@@H](C)[NH3+])CC1)c1ccccc1 ZINC000430962738 296815838 /nfs/dbraw/zinc/81/58/38/296815838.db2.gz RCXVFINVLWXCCG-DNVCBOLYSA-N 2 0 317.477 2.559 20 0 DFADRP C[C@H]([NH3+])C1CC[NH+]([C@@H]2CCN(c3ccc(Cl)cc3)C2=O)CC1 ZINC000430968980 296816106 /nfs/dbraw/zinc/81/61/06/296816106.db2.gz ZYJICRUFBSSIPK-BLLLJJGKSA-N 2 0 321.852 2.505 20 0 DFADRP C[C@@H]([NH2+]CCCC[N@@H+]1CCC[C@@H]1CO)c1cc(F)ccc1F ZINC000268924436 287022561 /nfs/dbraw/zinc/02/25/61/287022561.db2.gz PKOLQHYFQUDPNI-UKRRQHHQSA-N 2 0 312.404 2.852 20 0 DFADRP C[C@@H]([NH2+][C@@H](C)CC[NH+](C)C)c1ccc(OCC[NH+](C)C)cc1 ZINC000269012518 287047701 /nfs/dbraw/zinc/04/77/01/287047701.db2.gz NTUHRLLWBFDWLS-JKSUJKDBSA-N 3 0 307.482 2.618 20 0 DFADRP C[C@@H](O)[C@@](C)(C[NH2+][C@H]1CC[N@H+](C)C[C@H]1C)Cc1ccccc1 ZINC000357794094 287112206 /nfs/dbraw/zinc/11/22/06/287112206.db2.gz DXGBIANAXMKHFW-ZAWLATJESA-N 2 0 304.478 2.546 20 0 DFADRP COc1ccccc1O[C@H](C)C[NH2+][C@@H]1C[C@@H](C)[N@H+](C)C[C@H]1C ZINC000129584368 196059715 /nfs/dbraw/zinc/05/97/15/196059715.db2.gz FYIPUUHHMYPZEL-KLHDSHLOSA-N 2 0 306.450 2.781 20 0 DFADRP C[C@@H](C[NH2+][C@@H](C)c1ccc(OCC[NH+](C)C)cc1)N(C)C1CC1 ZINC000130728768 196104095 /nfs/dbraw/zinc/10/40/95/196104095.db2.gz YUAYXRVERHOGKT-HOTGVXAUSA-N 2 0 319.493 2.760 20 0 DFADRP C[C@@H]([NH2+]C[C@H](C)N(C)C1CC1)c1cccc(OCC[NH+](C)C)c1 ZINC000130875634 196118731 /nfs/dbraw/zinc/11/87/31/196118731.db2.gz ZFTVOFNEDCBLPB-JKSUJKDBSA-N 2 0 319.493 2.760 20 0 DFADRP C[C@@H]1CCCC[N@@H+]1CCC1CC[NH+](CC(=O)NC(C)(C)C)CC1 ZINC000158945596 287264642 /nfs/dbraw/zinc/26/46/42/287264642.db2.gz SQFUWNIQWKOALR-MRXNPFEDSA-N 2 0 323.525 2.878 20 0 DFADRP C[NH+](C)CC(C)(C)C[NH2+]C1CCN(Cc2cccc(F)c2)CC1 ZINC000132102655 196227013 /nfs/dbraw/zinc/22/70/13/196227013.db2.gz CSVACAHTAPMPPH-UHFFFAOYSA-N 2 0 321.484 2.968 20 0 DFADRP C[C@@H]([NH2+]CC(C)(C)C[NH+](C)C)c1ccc(N2CCOC2=O)cc1 ZINC000132112804 196228048 /nfs/dbraw/zinc/22/80/48/196228048.db2.gz NIFJACZGOYPGTD-CQSZACIVSA-N 2 0 319.449 2.882 20 0 DFADRP C[C@H]1C[C@H]([NH2+]CCc2nccn2Cc2ccccc2)CC[N@@H+]1C ZINC000132128868 196228455 /nfs/dbraw/zinc/22/84/55/196228455.db2.gz QTDWSMKAISZXJQ-FUHWJXTLSA-N 2 0 312.461 2.546 20 0 DFADRP C[C@H]1C[C@@H]([NH2+]CCc2nccn2Cc2ccccc2)CC[N@@H+]1C ZINC000132129272 196228663 /nfs/dbraw/zinc/22/86/63/196228663.db2.gz QTDWSMKAISZXJQ-WMZOPIPTSA-N 2 0 312.461 2.546 20 0 DFADRP CC[NH+]1CCN([C@@H]2CC[N@H+](C[C@@H](C)Cc3ccccc3)C2)CC1 ZINC000132314379 196244758 /nfs/dbraw/zinc/24/47/58/196244758.db2.gz AGTOYYZJPPJMLE-AZUAARDMSA-N 2 0 315.505 2.577 20 0 DFADRP Fc1ccc2c(c1)CC[C@@H]2[NH2+]C1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000132749121 196280650 /nfs/dbraw/zinc/28/06/50/196280650.db2.gz IODRNEYIJUGZIM-KUHUBIRLSA-N 2 0 318.436 2.904 20 0 DFADRP CC[NH+]1CCN(C[C@H](C)C[NH2+]C[C@H](C)Cc2ccccc2)CC1 ZINC000133887136 196342479 /nfs/dbraw/zinc/34/24/79/196342479.db2.gz QDMBELLPEDPEQT-RTBURBONSA-N 2 0 317.521 2.728 20 0 DFADRP Cc1ncc(CN(C)[C@H]2CCC[N@H+](Cc3ccccc3)C2)n1C ZINC000667532031 543623066 /nfs/dbraw/zinc/62/30/66/543623066.db2.gz ZPIKMMTXKVHHES-SFHVURJKSA-N 2 0 312.461 2.825 20 0 DFADRP CCC[NH+]1CCC(N(C)Cc2c(C3CCC3)cnn2C)CC1 ZINC000667534397 543624023 /nfs/dbraw/zinc/62/40/23/543624023.db2.gz WLGGDBMENSIOQF-UHFFFAOYSA-N 2 0 304.482 2.994 20 0 DFADRP CC(C)c1nc([C@@H]2CCCN(Cc3cnc4n3CCC4)C2)no1 ZINC000667572145 543633854 /nfs/dbraw/zinc/63/38/54/543633854.db2.gz PETXWFBVKIBRFD-CYBMUJFWSA-N 2 0 315.421 2.715 20 0 DFADRP Cn1ncc(C2CC2)c1C[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000667501743 543619426 /nfs/dbraw/zinc/61/94/26/543619426.db2.gz IVNFJPAXAWOTMY-UHFFFAOYSA-N 2 0 302.466 2.605 20 0 DFADRP C[NH+](C)CC1CC[NH+](Cc2ccc(O[C@H]3CCOC3)cc2)CC1 ZINC000667501701 543619503 /nfs/dbraw/zinc/61/95/03/543619503.db2.gz HOSUYSCTGVMXFZ-IBGZPJMESA-N 2 0 318.461 2.628 20 0 DFADRP CC[N@@H+]1CC[C@@H](N(C)Cc2c(C3CCC3)cnn2C)[C@H](C)C1 ZINC000667666244 543655090 /nfs/dbraw/zinc/65/50/90/543655090.db2.gz GWWCTGABSYJPTK-RHSMWYFYSA-N 2 0 304.482 2.850 20 0 DFADRP C[C@@H]1C[N@H+](CCC[NH2+]Cc2ccc(C(C)(C)O)cc2)CCCO1 ZINC000295667341 225105139 /nfs/dbraw/zinc/10/51/39/225105139.db2.gz IVSJFGXLWLUGER-MRXNPFEDSA-N 2 0 320.477 2.505 20 0 DFADRP C[NH+](C)CC[C@@H](NC(=O)Nc1cccc(C[NH3+])c1)C(C)(C)C ZINC000667728364 543667894 /nfs/dbraw/zinc/66/78/94/543667894.db2.gz SAXCOUJREBFVSA-OAHLLOKOSA-N 2 0 306.454 2.633 20 0 DFADRP CC1CC[NH+](CCCCNC(=O)Nc2cccc(C[NH3+])c2)CC1 ZINC000667731195 543668670 /nfs/dbraw/zinc/66/86/70/543668670.db2.gz NKAWPTIOJWADJI-UHFFFAOYSA-N 2 0 318.465 2.779 20 0 DFADRP C[NH+]1CCN(C[C@@H]([NH2+][C@H]2CCCC23CC3)c2ccccc2)CC1 ZINC000667756256 543673070 /nfs/dbraw/zinc/67/30/70/543673070.db2.gz PQYGOBAAKFSAAC-MOPGFXCFSA-N 2 0 313.489 2.897 20 0 DFADRP C[NH+]1CCN(C[C@H]([NH2+][C@H]2CCC[C@@H]3C[C@@H]32)c2ccccc2)CC1 ZINC000667755732 543673262 /nfs/dbraw/zinc/67/32/62/543673262.db2.gz BMCVYSNGYPTYGC-FYQPLNBISA-N 2 0 313.489 2.753 20 0 DFADRP C[C@@H]1CN(Cc2ccccc2)C[C@@H]1[NH2+][C@@H]1CO[C@H](C2CC2)C1 ZINC000667992020 543719856 /nfs/dbraw/zinc/71/98/56/543719856.db2.gz GKOZJRNPHXUYKU-FCLVOEFKSA-N 2 0 300.446 2.664 20 0 DFADRP c1ccc(C[N@H+]2CC[C@H](C[NH2+][C@H]3CO[C@@H](C4CC4)C3)C2)cc1 ZINC000668089955 543736239 /nfs/dbraw/zinc/73/62/39/543736239.db2.gz CHFGVIFFZDXZSV-BHIYHBOVSA-N 2 0 300.446 2.666 20 0 DFADRP CC[N@@H+]1C[C@@H](C)N(C(=O)Nc2ccn3cc(C)nc3c2)C[C@@H]1C ZINC000668158628 543753764 /nfs/dbraw/zinc/75/37/64/543753764.db2.gz ZBOVVWKOEQOOCX-UONOGXRCSA-N 2 0 315.421 2.589 20 0 DFADRP CCC[N@H+](CCC[NH+](C)C)C[C@@H]1CCO[C@H]1c1cnn(CC)c1 ZINC000668167791 543756947 /nfs/dbraw/zinc/75/69/47/543756947.db2.gz FSATYWCDFWSVSN-FUHWJXTLSA-N 2 0 322.497 2.644 20 0 DFADRP COC[C@H](C)Oc1ccc(C[N@H+](C)[C@@H]2CCN(C)C[C@H]2C)cc1 ZINC000668172108 543758795 /nfs/dbraw/zinc/75/87/95/543758795.db2.gz DNLKCTSHRZAKFI-JTDSTZFVSA-N 2 0 320.477 2.872 20 0 DFADRP C[C@@H]1[C@H]([NH2+][C@@H]2CO[C@H](C3CC3)C2)CCN1Cc1ccccc1 ZINC000668174624 543759492 /nfs/dbraw/zinc/75/94/92/543759492.db2.gz SGQMZVRYEUHZKS-FDPIWHGQSA-N 2 0 300.446 2.807 20 0 DFADRP CN(CCC[N@H+](C)Cc1cc2ccncc2s1)CC[NH+](C)C ZINC000668175774 543759976 /nfs/dbraw/zinc/75/99/76/543759976.db2.gz ALWLYMQLHHTHAL-UHFFFAOYSA-N 2 0 320.506 2.612 20 0 DFADRP c1cc(C[N@@H+]2CC3(CCOCC3)[C@@H]2C2CC2)n(-c2cc[nH+]cc2)n1 ZINC000668195479 543764661 /nfs/dbraw/zinc/76/46/61/543764661.db2.gz KHOFPOCLEVBOGM-SFHVURJKSA-N 2 0 324.428 2.658 20 0 DFADRP CC1=CC[C@H]([NH2+]Cc2ccc(C[N@@H+]3CC[C@@H](O)C3)cc2)CC1 ZINC000668488604 543813978 /nfs/dbraw/zinc/81/39/78/543813978.db2.gz CWEAMHVBNSTGGX-RBUKOAKNSA-N 2 0 300.446 2.842 20 0 DFADRP C[C@@H](CN(C)CCC[NH+](C)C)[NH2+][C@@H]1CS[C@H](C(C)(C)C)C1 ZINC000668474650 543812606 /nfs/dbraw/zinc/81/26/06/543812606.db2.gz DLGKLKHLWGHLHV-JYJNAYRXSA-N 2 0 315.571 2.768 20 0 DFADRP CO[C@H](C[NH2+]C1CCN(c2cc[nH+]cc2)CC1)C1CCCC1 ZINC000668712178 543851676 /nfs/dbraw/zinc/85/16/76/543851676.db2.gz ZSQNSOPIBLKDMG-GOSISDBHSA-N 2 0 303.450 2.845 20 0 DFADRP C[C@H](CCc1ccccc1)C[NH+]1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000668739178 543858219 /nfs/dbraw/zinc/85/82/19/543858219.db2.gz KAGBDOGDMKPFCP-YLJYHZDGSA-N 2 0 316.489 2.786 20 0 DFADRP C[C@@H](CCc1ccccc1)C[NH+]1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000668739176 543858333 /nfs/dbraw/zinc/85/83/33/543858333.db2.gz KAGBDOGDMKPFCP-PXNSSMCTSA-N 2 0 316.489 2.786 20 0 DFADRP C[C@@H](C[N@@H+]1CCO[C@H](CCC[NH+](C)C)C1)c1ccc(F)cc1 ZINC000668785266 543866848 /nfs/dbraw/zinc/86/68/48/543866848.db2.gz OZGISHTVGQRCAC-MAUKXSAKSA-N 2 0 308.441 2.972 20 0 DFADRP C[N@@H+]1CCN(CC[NH2+][C@H]2CCc3c2cc(F)cc3F)CC1(C)C ZINC000669618825 543976202 /nfs/dbraw/zinc/97/62/02/543976202.db2.gz BHFCBGOJBFZTHL-KRWDZBQOSA-N 2 0 323.431 2.568 20 0 DFADRP CC(C)(C(=O)NCc1ccc2c(c1)C[NH2+]C2)[C@@H]([NH3+])c1ccccc1 ZINC000669514648 543959151 /nfs/dbraw/zinc/95/91/51/543959151.db2.gz WNNLMRKLPLEJQT-SFHVURJKSA-N 2 0 323.440 2.632 20 0 DFADRP O=C(Nc1ccc2c(c1)C[NH2+]C2)C1(c2ccccc2)CC[NH2+]CC1 ZINC000669520423 543959562 /nfs/dbraw/zinc/95/95/62/543959562.db2.gz LSLUXIMLLULQED-UHFFFAOYSA-N 2 0 321.424 2.550 20 0 DFADRP C[C@@H](C[NH2+]Cc1ccc(N2CC[NH+](C)CC2)nc1)C(C)(C)C ZINC000670266377 544031036 /nfs/dbraw/zinc/03/10/36/544031036.db2.gz BBDICTNDTWFEHW-HNNXBMFYSA-N 2 0 304.482 2.605 20 0 DFADRP CCC[N@@H+]1CC[C@@H](C[NH2+][C@@H](C)c2ccc3[nH]c(=O)oc3c2)C1 ZINC000671742513 544105619 /nfs/dbraw/zinc/10/56/19/544105619.db2.gz DHKNACIIFPLSJK-STQMWFEESA-N 2 0 303.406 2.916 20 0 DFADRP CC[NH+]1CCC(C[NH2+][C@H](C)c2ccc3[nH]c(=O)oc3c2)CC1 ZINC000671746675 544105898 /nfs/dbraw/zinc/10/58/98/544105898.db2.gz UGHDUZMOXSKVRC-GFCCVEGCSA-N 2 0 303.406 2.916 20 0 DFADRP CC(C)[C@H](C[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@@H]21)c1ccnn1C ZINC000671762059 544108075 /nfs/dbraw/zinc/10/80/75/544108075.db2.gz VMARWWBQSYWFPM-TWMKSMIVSA-N 2 0 304.482 2.622 20 0 DFADRP CC(C)[C@H](C[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@H]21)c1ccnn1C ZINC000671762057 544108109 /nfs/dbraw/zinc/10/81/09/544108109.db2.gz VMARWWBQSYWFPM-MWDXBVQZSA-N 2 0 304.482 2.622 20 0 DFADRP CCOC1CC[NH+](CC[C@@H](C)[NH+]2CCC(OCC)CC2)CC1 ZINC000673717799 544193738 /nfs/dbraw/zinc/19/37/38/544193738.db2.gz JZIKRAGSASOKAQ-MRXNPFEDSA-N 2 0 312.498 2.767 20 0 DFADRP CCO[C@@H](CC[NH+](C)C)C[NH2+]Cc1ccnc(Cl)c1Cl ZINC000290976342 222044222 /nfs/dbraw/zinc/04/42/22/222044222.db2.gz YDKMGAJDCWZQGH-LBPRGKRZSA-N 2 0 320.264 2.835 20 0 DFADRP CC[NH+](CC)Cc1ccc(C(=O)N(C)CCCC[NH+](C)C)o1 ZINC000673840410 544202081 /nfs/dbraw/zinc/20/20/81/544202081.db2.gz WBOZSUJJVFIZHV-UHFFFAOYSA-N 2 0 309.454 2.535 20 0 DFADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)[C@H](C)C1CCCC1 ZINC000674087752 544219284 /nfs/dbraw/zinc/21/92/84/544219284.db2.gz AIUKIBXDWMCJSM-SJLPKXTDSA-N 2 0 323.525 2.687 20 0 DFADRP CO[C@H]1C[C@H]([NH2+]Cc2ccc(OCC[NH+](C)C)cc2)C1(C)C ZINC000674677503 544250700 /nfs/dbraw/zinc/25/07/00/544250700.db2.gz JIZRZDFKAVGDQX-IRXDYDNUSA-N 2 0 306.450 2.530 20 0 DFADRP COc1ccc(F)cc1C[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000297585848 227333146 /nfs/dbraw/zinc/33/31/46/227333146.db2.gz IVNWCSHMYCXRTQ-UHFFFAOYSA-N 2 0 315.392 2.988 20 0 DFADRP C[C@@H]1CCC[C@](CNC(=O)[C@@H]2CCCC[C@@]2(C)[NH3+])([NH+](C)C)C1 ZINC000263222599 287501062 /nfs/dbraw/zinc/50/10/62/287501062.db2.gz MERHOHBUIKLJSL-ATLSCFEFSA-N 2 0 309.498 2.521 20 0 DFADRP C[C@@H]([NH2+]CC(C)(C)N1CC[NH+](C)CC1)C(C)(C)c1ccccc1 ZINC000675742241 544332752 /nfs/dbraw/zinc/33/27/52/544332752.db2.gz MHPXBRKUDOPTEJ-QGZVFWFLSA-N 2 0 317.521 2.968 20 0 DFADRP O[C@@H](C[NH2+][C@H](CC1CC1)c1ccccc1)C[NH+]1CCCCC1 ZINC000675768311 544334912 /nfs/dbraw/zinc/33/49/12/544334912.db2.gz ZZNHEYYMMZKJSG-RBUKOAKNSA-N 2 0 302.462 2.964 20 0 DFADRP COc1cccc(N2CC[C@@H]([NH2+][C@H](C)C3CC[NH+](C)CC3)C2)c1 ZINC000675810596 544338187 /nfs/dbraw/zinc/33/81/87/544338187.db2.gz IQBLCRQYGFTVRU-NVXWUHKLSA-N 2 0 317.477 2.594 20 0 DFADRP C[C@H]([NH2+]CCc1ccn(-c2ccccc2)n1)C1CC[NH+](C)CC1 ZINC000675800684 544337423 /nfs/dbraw/zinc/33/74/23/544337423.db2.gz VYJDDPFMBVGLCE-INIZCTEOSA-N 2 0 312.461 2.735 20 0 DFADRP C[C@@H]([NH2+][C@H](Cn1cccn1)c1ccccc1)C1CC[NH+](C)CC1 ZINC000675900308 544342605 /nfs/dbraw/zinc/34/26/05/544342605.db2.gz UTKSBAVRQGJILR-VQIMIIECSA-N 2 0 312.461 2.944 20 0 DFADRP C[C@@H]([NH2+][C@@H](Cn1cccn1)c1ccccc1)C1CC[NH+](C)CC1 ZINC000675900305 544342741 /nfs/dbraw/zinc/34/27/41/544342741.db2.gz UTKSBAVRQGJILR-APWZRJJASA-N 2 0 312.461 2.944 20 0 DFADRP CCO[C@@H]1CCC[NH+]([C@H](C)CC[N@H+]2CCC[C@@H](OCC)C2)C1 ZINC000676252550 544366127 /nfs/dbraw/zinc/36/61/27/544366127.db2.gz QYFFKKKUKVTHQI-KZNAEPCWSA-N 2 0 312.498 2.767 20 0 DFADRP CC[NH+](CC)Cc1ccc(C(=O)Nc2cc(C)ncc2C)o1 ZINC000676588370 544387089 /nfs/dbraw/zinc/38/70/89/544387089.db2.gz YKSBJRHRKJNJNG-UHFFFAOYSA-N 2 0 301.390 2.807 20 0 DFADRP C[NH+](C)CCOc1ccc(C[NH2+][C@H]2CCOC(C)(C)C2)cc1 ZINC000677154058 544442496 /nfs/dbraw/zinc/44/24/96/544442496.db2.gz ZCOZZEPHQBEEGL-INIZCTEOSA-N 2 0 306.450 2.674 20 0 DFADRP Cn1ccnc1C[C@H]([NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccccc1 ZINC000677242024 544458011 /nfs/dbraw/zinc/45/80/11/544458011.db2.gz WGJLENHPYLXBTL-OTWHNJEPSA-N 2 0 324.472 2.920 20 0 DFADRP C[N@@H+]1CCC[C@H](CN[C@H]2C[NH+](Cc3ccccc3)C(C)(C)C2)C1 ZINC000677749541 544536013 /nfs/dbraw/zinc/53/60/13/544536013.db2.gz MKQQWBVSTOPETB-RTBURBONSA-N 2 0 315.505 2.971 20 0 DFADRP C[C@@H]1C[C@H](C)CN(CC[NH2+][C@@H]2[C@H]3CCO[C@@H]3C23CCCC3)C1 ZINC000677645764 544515524 /nfs/dbraw/zinc/51/55/24/544515524.db2.gz MAKSMFOVEFNTEP-ILOCAZANSA-N 2 0 306.494 2.902 20 0 DFADRP COc1ccc([C@H](C[NH+](C)C)NC2CC[NH+](C3CC3)CC2)cc1 ZINC000298120716 228365750 /nfs/dbraw/zinc/36/57/50/228365750.db2.gz PGRIWCYTPKHILA-IBGZPJMESA-N 2 0 317.477 2.514 20 0 DFADRP C[C@@H]1C[N@H+](CCC[NH2+]CCc2cccc(Cl)c2)CCCO1 ZINC000298155256 228386014 /nfs/dbraw/zinc/38/60/14/228386014.db2.gz RXXZPLXFYQWTTH-OAHLLOKOSA-N 2 0 310.869 2.973 20 0 DFADRP CC(C)[N@@H+]1CCCN(Cc2ccc(OCC[NH+](C)C)cc2)CC1 ZINC000678120606 544603597 /nfs/dbraw/zinc/60/35/97/544603597.db2.gz VQZRFKXUWZHSTP-UHFFFAOYSA-N 2 0 319.493 2.543 20 0 DFADRP CC[C@H]1CO[C@@H](C)C[N@@H+]1Cc1ccc(OCC[NH+](C)C)cc1 ZINC000678122342 544604806 /nfs/dbraw/zinc/60/48/06/544604806.db2.gz LEUXQJIXAMHGTN-RDJZCZTQSA-N 2 0 306.450 2.626 20 0 DFADRP C[N@@H+]1CCC[C@H](N2CC[NH+](C[C@H]3C[C@@H]3c3ccccc3)CC2)C1 ZINC000678259080 544634839 /nfs/dbraw/zinc/63/48/39/544634839.db2.gz YPYTUFNPRRRALY-HSALFYBXSA-N 2 0 313.489 2.502 20 0 DFADRP Nc1ncc(C[NH+]2CCC(C[NH+]3CCCCCC3)CC2)s1 ZINC000678139134 544608930 /nfs/dbraw/zinc/60/89/30/544608930.db2.gz KPOOSCOWPSAHRN-UHFFFAOYSA-N 2 0 308.495 2.813 20 0 DFADRP Cc1ccc([C@H](C)[NH2+]CCCC[N@@H+]2CCC[C@H]2CO)c(C)n1 ZINC000678422652 544670090 /nfs/dbraw/zinc/67/00/90/544670090.db2.gz NKQJJDKIFWEDRI-RDJZCZTQSA-N 2 0 305.466 2.586 20 0 DFADRP COc1cccc2c1OCC[C@H]2[NH2+][C@@H](C)C1CC[NH+](C)CC1 ZINC000678590117 544697368 /nfs/dbraw/zinc/69/73/68/544697368.db2.gz UAPAKEDSPSWLQK-XJKSGUPXSA-N 2 0 304.434 2.839 20 0 DFADRP C[C@@H]1CCc2ccccc2[C@H]1[NH2+]CC(C)(C)N1CC[NH+](C)CC1 ZINC000678766848 544716555 /nfs/dbraw/zinc/71/65/55/544716555.db2.gz PTFIDTOFKRGZMW-APWZRJJASA-N 2 0 315.505 2.926 20 0 DFADRP C[C@H]1CCc2ccccc2[C@@H]1[NH2+]CCCN1CC[NH+](C)CC1 ZINC000678767298 544717996 /nfs/dbraw/zinc/71/79/96/544717996.db2.gz YTBPBAHAJMGADD-QFBILLFUSA-N 2 0 301.478 2.537 20 0 DFADRP C[C@@H]1CCc2ccccc2[C@H]1[NH2+]CCCN1CC[NH+](C)CC1 ZINC000678767290 544718346 /nfs/dbraw/zinc/71/83/46/544718346.db2.gz YTBPBAHAJMGADD-APWZRJJASA-N 2 0 301.478 2.537 20 0 DFADRP C[C@H]1C[C@H](Nc2cccc(OCCC[NH+](C)C)c2)CC[N@@H+]1C ZINC000679147969 544792248 /nfs/dbraw/zinc/79/22/48/544792248.db2.gz MMZVPHDLNSDIGL-DOTOQJQBSA-N 2 0 305.466 2.912 20 0 DFADRP CC[N@@H+]1CC[C@H]([NH2+][C@H]2CCc3cc(OC)ccc3C2)[C@@H](C)C1 ZINC000680352649 544996385 /nfs/dbraw/zinc/99/63/85/544996385.db2.gz OKSSEMZTLHFRED-FNHZYXHNSA-N 2 0 302.462 2.872 20 0 DFADRP C[C@@H]1OCC[C@]1(C)[NH2+]Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000680145903 544963760 /nfs/dbraw/zinc/96/37/60/544963760.db2.gz VMEAESYVSDBHRH-LPHOPBHVSA-N 2 0 318.461 2.818 20 0 DFADRP CC[NH+]1CCN([C@H](C)C[NH2+][C@@H](Cc2ccccc2)C2CC2)CC1 ZINC000155571733 425920510 /nfs/dbraw/zinc/92/05/10/425920510.db2.gz BXEGLGPAQOONDI-XLIONFOSSA-N 2 0 315.505 2.623 20 0 DFADRP CC[C@@H]([NH2+]C[C@H](C)N1CC[NH+](CC)CC1)c1ccc(OC)cc1 ZINC000155636997 425923394 /nfs/dbraw/zinc/92/33/94/425923394.db2.gz ARHHFJLIBMJQJF-QFBILLFUSA-N 2 0 319.493 2.762 20 0 DFADRP Cc1ccc(CC[N@@H+](C)CC2CC[NH+](C[C@@H](C)O)CC2)cc1 ZINC000124610367 425928592 /nfs/dbraw/zinc/92/85/92/425928592.db2.gz YPCFVVYLKLQLCW-QGZVFWFLSA-N 2 0 304.478 2.562 20 0 DFADRP CCCc1cc(N2CCC[N@H+](CCO)CC2)c2ccccc2[nH+]1 ZINC000124665431 425931972 /nfs/dbraw/zinc/93/19/72/425931972.db2.gz NXEUVYWATJOIIG-UHFFFAOYSA-N 2 0 313.445 2.692 20 0 DFADRP CC[C@@H](COC)[NH2+]Cc1ccc(C[NH+]2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000124648631 425930833 /nfs/dbraw/zinc/93/08/33/425930833.db2.gz LLCQEDOUWBBZPP-MDZRGWNJSA-N 2 0 320.477 2.810 20 0 DFADRP COC(=O)c1ccc([C@H](C)[NH+]2CCC(C[NH+]3CCCC3)CC2)o1 ZINC000103143644 425937586 /nfs/dbraw/zinc/93/75/86/425937586.db2.gz XQQXVAXOEQKFJR-AWEZNQCLSA-N 2 0 320.433 2.935 20 0 DFADRP [NH3+]C1CC[NH+](CCC(=O)Nc2c(Cl)cccc2Cl)CC1 ZINC000036754102 425846658 /nfs/dbraw/zinc/84/66/58/425846658.db2.gz UMYHBNDZBLLUKD-UHFFFAOYSA-N 2 0 316.232 2.745 20 0 DFADRP CCC[NH+]1CCC(NC(=O)c2ccc(C[NH+](CC)CC)o2)CC1 ZINC000042033679 425852648 /nfs/dbraw/zinc/85/26/48/425852648.db2.gz WJOMQBSWDKHHHP-UHFFFAOYSA-N 2 0 321.465 2.726 20 0 DFADRP Cc1c([C@@H](C)[NH2+]CCCC[N@@H+]2CCC[C@@H]2CO)cnn1C(C)C ZINC000191278113 267994758 /nfs/dbraw/zinc/99/47/58/267994758.db2.gz ROIPKKOGENQMRK-NVXWUHKLSA-N 2 0 322.497 2.660 20 0 DFADRP CC[NH+](CC)Cc1ccc(C(=O)NC[C@@H](CC(C)C)[NH+](C)C)o1 ZINC000042586383 425853422 /nfs/dbraw/zinc/85/34/22/425853422.db2.gz VDDUVWAPPWWYNJ-OAHLLOKOSA-N 2 0 323.481 2.828 20 0 DFADRP COC(=O)[C@](C)(C[NH2+]C1CC[NH+](C(C)C)CC1)c1ccccc1 ZINC000191578787 268006588 /nfs/dbraw/zinc/00/65/88/268006588.db2.gz AHNFWOZGLBWYFY-LJQANCHMSA-N 2 0 318.461 2.580 20 0 DFADRP CCCn1cc(CNC[C@@H]2CC[N@H+](Cc3ccccc3)C2)cn1 ZINC000192919813 268054329 /nfs/dbraw/zinc/05/43/29/268054329.db2.gz GSBYGCYMOHDGRI-SFHVURJKSA-N 2 0 312.461 2.905 20 0 DFADRP C[C@H]([NH2+]CCO[C@@H]1CCCCO1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000193117770 268060787 /nfs/dbraw/zinc/06/07/87/268060787.db2.gz PUPZGXHCTZFKON-LZLYRXPVSA-N 2 0 310.482 2.772 20 0 DFADRP CC[NH+]1CCC(NC(=O)C[N@H+](C)[C@H](C)c2ccc(C)cc2)CC1 ZINC000047960025 425872378 /nfs/dbraw/zinc/87/23/78/425872378.db2.gz YBHPZNNNMMRKCF-MRXNPFEDSA-N 2 0 317.477 2.588 20 0 DFADRP [NH3+][C@@H]1CCCCCC[C@H]1C(=O)NCC[NH2+]C1CCCCCC1 ZINC000237892168 268161517 /nfs/dbraw/zinc/16/15/17/268161517.db2.gz YUYLAPUEVUTLMB-IAGOWNOFSA-N 2 0 309.498 2.713 20 0 DFADRP C[N@H+](CC[C@H]1CC[NH2+]C1)Cc1ccc(Br)s1 ZINC000258878349 268168973 /nfs/dbraw/zinc/16/89/73/268168973.db2.gz BIEYCJJBIMTAQI-SNVBAGLBSA-N 2 0 303.269 2.942 20 0 DFADRP Cc1cnn(CC[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)c1 ZINC000270650352 268195848 /nfs/dbraw/zinc/19/58/48/268195848.db2.gz QIBWKKKWDRJBCY-MJGOQNOKSA-N 2 0 312.461 2.692 20 0 DFADRP C[N@@H+]1CCC[C@@H]1CCN1C[C@H](O)C[C@H]1c1cc(F)ccc1F ZINC000270992254 268245793 /nfs/dbraw/zinc/24/57/93/268245793.db2.gz IKXMRFRDRKWFRP-CPUCHLNUSA-N 2 0 310.388 2.557 20 0 DFADRP C[C@@H]1C[C@H]([NH2+]CCc2nc(-c3ccncc3)cs2)CC[N@@H+]1C ZINC000271520306 268249292 /nfs/dbraw/zinc/24/92/92/268249292.db2.gz QDGHUNVNTCRRRE-UKRRQHHQSA-N 2 0 316.474 2.820 20 0 DFADRP C[N@@H+]1CCN(CC[NH2+][C@@H]2CCCNc3ccccc32)CC1(C)C ZINC000282146094 268272252 /nfs/dbraw/zinc/27/22/52/268272252.db2.gz CKEVBDBXYQGXBW-GOSISDBHSA-N 2 0 316.493 2.549 20 0 DFADRP C[C@@H](C(=O)NC(C)(C)C)[NH+]1CCC(C[NH+]2CCCCCC2)CC1 ZINC000048564012 425875896 /nfs/dbraw/zinc/87/58/96/425875896.db2.gz WCWCEMMRXNRUJC-INIZCTEOSA-N 2 0 323.525 2.878 20 0 DFADRP [NH3+]C1CCC([NH2+]Cc2cc(F)cc(Br)c2)CC1 ZINC000312263740 268338144 /nfs/dbraw/zinc/33/81/44/268338144.db2.gz QFBIRPLYTNPCBR-UHFFFAOYSA-N 2 0 301.203 2.948 20 0 DFADRP C[C@@H](c1cccc(Br)c1)N1CCCO[C@@H](C[NH3+])C1 ZINC000313343794 268339343 /nfs/dbraw/zinc/33/93/43/268339343.db2.gz ICGXYTPUYOGLIW-FZMZJTMJSA-N 2 0 313.239 2.560 20 0 DFADRP COc1cc(C[NH2+]CCc2cn(C)cn2)ccc1OC(C)C ZINC000313291431 268339495 /nfs/dbraw/zinc/33/94/95/268339495.db2.gz GRKBGYHDGSBKGV-UHFFFAOYSA-N 2 0 303.406 2.548 20 0 DFADRP Cn1cnc(CC[NH2+]Cc2ccc(Br)cc2F)c1 ZINC000313290821 268339554 /nfs/dbraw/zinc/33/95/54/268339554.db2.gz FMPFEBUQGLFSSJ-UHFFFAOYSA-N 2 0 312.186 2.654 20 0 DFADRP COc1ccc(C[C@H](C)[N@@H+]2C[C@@H](C)[C@](C)(C[NH3+])C2)cc1OC ZINC000319300486 268346343 /nfs/dbraw/zinc/34/63/43/268346343.db2.gz ILDKOLOPQGGWQG-QWQRMKEZSA-N 2 0 306.450 2.552 20 0 DFADRP [NH3+]Cc1cn([C@H]2CCC[N@H+](CCC3CCCCCC3)C2)nn1 ZINC000333117941 268375530 /nfs/dbraw/zinc/37/55/30/268375530.db2.gz HSWOJYOVFBCKRB-KRWDZBQOSA-N 2 0 305.470 2.734 20 0 DFADRP CCc1noc(C2CCC([NH2+][C@H](C)[C@H]3CCC[NH2+]C3)CC2)n1 ZINC000333182778 268380481 /nfs/dbraw/zinc/38/04/81/268380481.db2.gz QCJFHAIDAWXEPO-JLVJUDLZSA-N 2 0 306.454 2.636 20 0 DFADRP O=C([C@H]1CCC[N@@H+]1C1CCCC1)N1CCC(c2c[nH]cn2)CC1 ZINC000333280933 268389061 /nfs/dbraw/zinc/38/90/61/268389061.db2.gz IVVSUJNQOBBLEK-QGZVFWFLSA-N 2 0 316.449 2.523 20 0 DFADRP CC[NH+]1CCN([C@@H]2CC[N@H+](CCc3ccccc3Cl)C2)CC1 ZINC000107370952 425989839 /nfs/dbraw/zinc/98/98/39/425989839.db2.gz LMVDLPZEYYHJDV-QGZVFWFLSA-N 2 0 321.896 2.594 20 0 DFADRP C[C@@H](c1ccc([S@@](C)=O)cc1)N(C)CC[C@@H]1CCC[N@@H+]1C ZINC000124908811 425944048 /nfs/dbraw/zinc/94/40/48/425944048.db2.gz VCGHUGUDXLZQGY-HTZUNMPGSA-N 2 0 308.491 2.901 20 0 DFADRP C[C@@H]1CC[C@H](C)[N@H+](CC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC000158756279 425947091 /nfs/dbraw/zinc/94/70/91/425947091.db2.gz RTAYCSFJPGMDCC-RYRKJORJSA-N 2 0 317.477 2.526 20 0 DFADRP CC[NH+]1CCN(Cc2ccc(C[NH2+]Cc3ccco3)cc2)CC1 ZINC000069708677 425954086 /nfs/dbraw/zinc/95/40/86/425954086.db2.gz BVZNECFCQILQOI-UHFFFAOYSA-N 2 0 313.445 2.707 20 0 DFADRP CC(C)Oc1ccc([C@@H](O)C[NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)cc1 ZINC000125366027 425967962 /nfs/dbraw/zinc/96/79/62/425967962.db2.gz FATWSBOYLLBNSH-KYJSFNMBSA-N 2 0 306.450 2.580 20 0 DFADRP Cc1cc(Cl)ccc1NC(=O)C[N@@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000070171185 425968388 /nfs/dbraw/zinc/96/83/88/425968388.db2.gz BKUVESKBQVTVND-ZDUSSCGKSA-N 2 0 309.841 2.648 20 0 DFADRP Cc1c(Cl)cccc1NC(=O)C[N@@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000070170727 425968727 /nfs/dbraw/zinc/96/87/27/425968727.db2.gz FLTGGHZDDHXBCS-ZDUSSCGKSA-N 2 0 309.841 2.648 20 0 DFADRP CC(C)[N@H+](C)CC(=O)Nc1ccc(CC[NH+]2CCCC2)cc1 ZINC000126684116 426031581 /nfs/dbraw/zinc/03/15/81/426031581.db2.gz QHKYKYWXUWZDJG-UHFFFAOYSA-N 2 0 303.450 2.604 20 0 DFADRP C[NH2+]CCC[N@H+](C)CCC(=O)Nc1c(Cl)cccc1Cl ZINC000127222162 426056561 /nfs/dbraw/zinc/05/65/61/426056561.db2.gz SLTRWKHLDJTTSH-UHFFFAOYSA-N 2 0 318.248 2.863 20 0 DFADRP C[C@@H]1CCc2c(F)cccc2[C@H]1[NH2+]CCCN1CC[NH+](C)CC1 ZINC000162489195 426066679 /nfs/dbraw/zinc/06/66/79/426066679.db2.gz OPTGTXKBVQSXRJ-BEFAXECRSA-N 2 0 319.468 2.676 20 0 DFADRP CCCc1ccc([C@@H](C)[NH2+]C[C@H](C)N2CC[NH+](C)CC2)cc1 ZINC000127511430 426070226 /nfs/dbraw/zinc/07/02/26/426070226.db2.gz IHRAQLJADOWRCR-DLBZAZTESA-N 2 0 303.494 2.926 20 0 DFADRP CC[N@@H+]1CC[C@H](C[NH2+][C@@H](C)c2cccc(N3CCOC3=O)c2)C1 ZINC000163217495 426093946 /nfs/dbraw/zinc/09/39/46/426093946.db2.gz KRDWPMVUCBTEFO-LSDHHAIUSA-N 2 0 317.433 2.636 20 0 DFADRP CC[C@@H]([NH2+]C[C@H]1CC[N@H+](CC)C1)c1ccc2c(c1)OCCO2 ZINC000163243490 426094183 /nfs/dbraw/zinc/09/41/83/426094183.db2.gz PBPFUOKIIRJQIC-GDBMZVCRSA-N 2 0 304.434 2.840 20 0 DFADRP CC[C@@H](C)[C@H](C)[NH2+]CC1CC[NH+](CC(=O)NC(C)(C)C)CC1 ZINC000163495652 426102155 /nfs/dbraw/zinc/10/21/55/426102155.db2.gz ZJTFDSXFGJXJJL-CABCVRRESA-N 2 0 311.514 2.637 20 0 DFADRP CC[C@@H](C)[C@@H](C)[NH2+]CC1CC[NH+](CC(=O)NC(C)(C)C)CC1 ZINC000163495433 426102293 /nfs/dbraw/zinc/10/22/93/426102293.db2.gz ZJTFDSXFGJXJJL-HUUCEWRRSA-N 2 0 311.514 2.637 20 0 DFADRP C[C@@H]([NH2+]CCCN1CCC[N@H+](C)CC1)c1cc(F)ccc1F ZINC000128263005 426109603 /nfs/dbraw/zinc/10/96/03/426109603.db2.gz HZSGFWLRQWPMGM-CQSZACIVSA-N 2 0 311.420 2.643 20 0 DFADRP CCCn1cc(C[N@@H+]2CC[C@H](CNc3cccc(C)n3)C2)cn1 ZINC000128275534 426110323 /nfs/dbraw/zinc/11/03/23/426110323.db2.gz OUSMZNQDLBEGPJ-MRXNPFEDSA-N 2 0 313.449 2.931 20 0 DFADRP C[C@H]1CCC[N@H+](Cc2ccc(NC(=O)[C@@H]3CCC[NH2+]C3)cc2)C1 ZINC000164571069 426115369 /nfs/dbraw/zinc/11/53/69/426115369.db2.gz IWPKRASTKNEBTJ-DOTOQJQBSA-N 2 0 315.461 2.857 20 0 DFADRP CCC[C@H]([NH3+])C(=O)Nc1ccc(C[NH+]2CCC(C)CC2)cc1 ZINC000164558436 426115481 /nfs/dbraw/zinc/11/54/81/426115481.db2.gz BYGVXRQUXIUJRI-KRWDZBQOSA-N 2 0 303.450 2.984 20 0 DFADRP Cc1ccccc1C[C@@H](C)[NH2+]CCCN1CCC[N@H+](C)CC1 ZINC000128466618 426119616 /nfs/dbraw/zinc/11/96/16/426119616.db2.gz PVCVIODFJLUZRH-GOSISDBHSA-N 2 0 303.494 2.543 20 0 DFADRP C[N@H+](CCNC(=O)CC[C@@H]([NH3+])c1ccccc1)C1CCCCC1 ZINC000165004605 426119650 /nfs/dbraw/zinc/11/96/50/426119650.db2.gz NSAAYSXUBMQAJR-GOSISDBHSA-N 2 0 317.477 2.847 20 0 DFADRP [NH3+][C@H]1CC[C@H](C(=O)Nc2cccc(C[NH+]3CCCCC3)c2)C1 ZINC000165134972 426120818 /nfs/dbraw/zinc/12/08/18/426120818.db2.gz HLJWOFGOUQKOBG-HOTGVXAUSA-N 2 0 301.434 2.738 20 0 DFADRP CC(=O)Nc1ccc(CC[NH2+][C@@H]2C[C@@H](C)[N@@H+](C)C[C@H]2C)cc1 ZINC000165629437 426123280 /nfs/dbraw/zinc/12/32/80/426123280.db2.gz JCWOKPLSMXLYPS-HBUWYVDXSA-N 2 0 303.450 2.506 20 0 DFADRP COC[C@H]([NH2+][C@H](C)c1cccc(OCC[NH+](C)C)c1)C(C)C ZINC000165898401 426124616 /nfs/dbraw/zinc/12/46/16/426124616.db2.gz MTXVDNRCQGKNMS-QAPCUYQASA-N 2 0 308.466 2.949 20 0 DFADRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@@H](C)c1cc(F)ccc1F ZINC000165944635 426125080 /nfs/dbraw/zinc/12/50/80/426125080.db2.gz UFGYQDRLLTUIRG-GXTWGEPZSA-N 2 0 300.393 2.972 20 0 DFADRP CCO[C@@H](CC[NH+](C)C)C[NH2+][C@@H](C)c1ccc(F)c(F)c1 ZINC000166056771 426126250 /nfs/dbraw/zinc/12/62/50/426126250.db2.gz HMEXEPINKGMRRU-JSGCOSHPSA-N 2 0 300.393 2.972 20 0 DFADRP CC(C)[C@H](C(=O)NC1CCC([NH+]2CCC(C)CC2)CC1)[NH+](C)C ZINC000128678391 426128488 /nfs/dbraw/zinc/12/84/88/426128488.db2.gz KKOKZPRHXLBHNS-DAWZGUTISA-N 2 0 323.525 2.732 20 0 DFADRP CC[NH+](CC)[C@H](CNC(=O)[C@@]1(CC)CCC[NH2+]1)c1ccccc1 ZINC000128688508 426129017 /nfs/dbraw/zinc/12/90/17/426129017.db2.gz PETJOLUBBVHKNB-IEBWSBKVSA-N 2 0 317.477 2.718 20 0 DFADRP Cc1ccc2c(c1)[C@@H]([NH2+]CCN1CCC([NH+](C)C)CC1)CCC2 ZINC000166775541 426129746 /nfs/dbraw/zinc/12/97/46/426129746.db2.gz XLNVSSRPXIHPTH-FQEVSTJZSA-N 2 0 315.505 2.988 20 0 DFADRP C[C@@H]([NH2+]C[C@]1(C)CCCO1)c1ccc(OCC[NH+](C)C)cc1 ZINC000167019709 426130731 /nfs/dbraw/zinc/13/07/31/426130731.db2.gz DHAALFZRNBRDDG-QAPCUYQASA-N 2 0 306.450 2.847 20 0 DFADRP COc1cccc(N2CCC[C@@H]([NH2+][C@H]3CCN(C)C[C@@H]3C)C2)c1 ZINC000128793010 426133362 /nfs/dbraw/zinc/13/33/62/426133362.db2.gz DOHBTVCYGXGPRG-FCEWJHQRSA-N 2 0 317.477 2.594 20 0 DFADRP CC(C)[NH+]1CCC(NC(=O)C[N@H+](C)[C@H](C)c2ccccc2)CC1 ZINC000114453928 426135991 /nfs/dbraw/zinc/13/59/91/426135991.db2.gz NQCMGCMQALHRDS-MRXNPFEDSA-N 2 0 317.477 2.668 20 0 DFADRP CC(C)[NH+]1CCC(NC(=O)C[N@@H+]2CCC[C@@H]2CC(C)(C)C)CC1 ZINC000114455896 426136169 /nfs/dbraw/zinc/13/61/69/426136169.db2.gz CTADOIZGASAURQ-QGZVFWFLSA-N 2 0 323.525 2.876 20 0 DFADRP C[C@@H]([NH2+]C[C@H](C)N1CC[NH+](C)CC1)c1ccc(F)c(Cl)c1 ZINC000127593733 426075461 /nfs/dbraw/zinc/07/54/61/426075461.db2.gz VCVPNXPGPBUDGI-QWHCGFSZSA-N 2 0 313.848 2.766 20 0 DFADRP CC(C)Oc1ccc([C@H](C)[NH2+]C[C@@H](C)N2CC[NH+](C)CC2)cc1 ZINC000127668228 426079529 /nfs/dbraw/zinc/07/95/29/426079529.db2.gz YPWCNZZKJGALAG-SJORKVTESA-N 2 0 319.493 2.760 20 0 DFADRP C[NH+](C)CCOc1ccccc1CNc1ccnc(C2CC2)n1 ZINC000112554266 426081481 /nfs/dbraw/zinc/08/14/81/426081481.db2.gz HHBMFKWSODOBKP-UHFFFAOYSA-N 2 0 312.417 2.907 20 0 DFADRP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(C[NH+]3CCCC3)cc2)CC[N@@H+]1C ZINC000162901655 426083006 /nfs/dbraw/zinc/08/30/06/426083006.db2.gz ABIDSZQDBUIYMX-APWZRJJASA-N 3 0 301.478 2.855 20 0 DFADRP c1coc([C@H](CN[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)[NH+]2CCCC2)c1 ZINC000127748977 426084115 /nfs/dbraw/zinc/08/41/15/426084115.db2.gz SIYOOCZCCSSWQI-ZACQAIPSSA-N 2 0 303.450 2.633 20 0 DFADRP c1csc(CNc2ncnc3c2cnn3-c2ccncc2)c1 ZINC000162979363 426085455 /nfs/dbraw/zinc/08/54/55/426085455.db2.gz YVZUWOPBUMNPQI-UHFFFAOYSA-N 2 0 308.370 2.884 20 0 DFADRP C[C@H]1CC[C@H](C)[NH+]1CCN1CC[NH+](CCc2ccccc2)CC1 ZINC000112648790 426085872 /nfs/dbraw/zinc/08/58/72/426085872.db2.gz KHJDLXJVMLWREF-OALUTQOASA-N 2 0 315.505 2.720 20 0 DFADRP C[N@@H+](CCC(=O)Nc1cccc(F)c1)CC[C@H]1CCCC[NH+]1C ZINC000075859931 426087135 /nfs/dbraw/zinc/08/71/35/426087135.db2.gz APHXSJGVZWJPDE-QGZVFWFLSA-N 2 0 321.440 2.961 20 0 DFADRP C[NH+](C)CCN1CCC([NH2+][C@@H]2CC[C@H](c3ccccc3)C2)CC1 ZINC000130446721 426160704 /nfs/dbraw/zinc/16/07/04/426160704.db2.gz DLMOLWGICKBKIF-AZUAARDMSA-N 2 0 315.505 2.938 20 0 DFADRP CC[N@H+](Cc1ccc(C(=O)NC[C@@H]2CCC[NH+]2C)cc1)C(C)C ZINC000171275340 426180633 /nfs/dbraw/zinc/18/06/33/426180633.db2.gz UIACMESDUACPBM-SFHVURJKSA-N 2 0 317.477 2.741 20 0 DFADRP CCc1ccc([C@H](CN[C@H]2CC[N@H+](C)[C@H](C)C2)[NH+](C)C)cc1 ZINC000133807329 426184110 /nfs/dbraw/zinc/18/41/10/426184110.db2.gz JJVUHZVLMHHSTC-MNEFBYGVSA-N 2 0 303.494 2.924 20 0 DFADRP CC1=CCC[C@@H](C)[C@H]1C[NH2+]CC1CC[NH+](CCN(C)C)CC1 ZINC000134155247 426186668 /nfs/dbraw/zinc/18/66/68/426186668.db2.gz POMMPOCRGLWIMN-MJGOQNOKSA-N 2 0 307.526 2.842 20 0 DFADRP CC[C@]1(C(=O)N2CCC[C@H](C[N@@H+]3CCCC[C@@H]3C)C2)CCC[NH2+]1 ZINC000134584293 426188989 /nfs/dbraw/zinc/18/89/89/426188989.db2.gz UAHMMZUYRKDMQG-YQVWRLOYSA-N 2 0 321.509 2.632 20 0 DFADRP CC(C)OCCC[NH+]1CCC(C[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000171501408 426191416 /nfs/dbraw/zinc/19/14/16/426191416.db2.gz JETWDHJYBRFXOU-IRXDYDNUSA-N 2 0 312.498 2.623 20 0 DFADRP CC(C)[NH+]1CCC(C(=O)NCCCC[N@@H+]2CCC[C@H](C)C2)CC1 ZINC000081257309 426221576 /nfs/dbraw/zinc/22/15/76/426221576.db2.gz ZOZNXPQVGKTLPM-KRWDZBQOSA-N 2 0 323.525 2.735 20 0 DFADRP C[C@H]1CC[N@H+](CCOc2ccc(F)cc2)C[C@@H]1n1ccnc1 ZINC000136082250 426234701 /nfs/dbraw/zinc/23/47/01/426234701.db2.gz JNFWIQZWVREKQW-YOEHRIQHSA-N 2 0 303.381 2.984 20 0 DFADRP CC(C)[NH+]1CCC(C(=O)N[C@@H](C[NH+](C)C)c2ccccc2)CC1 ZINC000173722623 426246173 /nfs/dbraw/zinc/24/61/73/426246173.db2.gz QGRDTWYKIPPUEZ-SFHVURJKSA-N 2 0 317.477 2.526 20 0 DFADRP CC(C)(C)[C@H]([NH3+])C(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000118978109 426252919 /nfs/dbraw/zinc/25/29/19/426252919.db2.gz AEQGQPOUZCRRNY-OAHLLOKOSA-N 2 0 321.490 2.547 20 0 DFADRP C(C[NH2+]C1CC[NH+](C2CCCCC2)CC1)CO[C@H]1CCOC1 ZINC000119027889 426256612 /nfs/dbraw/zinc/25/66/12/426256612.db2.gz MJZNXCSPFLFOLB-SFHVURJKSA-N 2 0 310.482 2.569 20 0 DFADRP CCC[N@H+](C)C[C@H]1CC[NH+](CCC(=O)Nc2ccc(F)cc2)C1 ZINC000174960883 426271062 /nfs/dbraw/zinc/27/10/62/426271062.db2.gz WQLNJJMHJHBXGL-OAHLLOKOSA-N 2 0 321.440 2.818 20 0 DFADRP CCC[N@H+](C)C[C@@H]1CC[NH+](CCC(=O)Nc2cccc(F)c2)C1 ZINC000174961409 426271521 /nfs/dbraw/zinc/27/15/21/426271521.db2.gz PYVPQBQBZSPXGN-HNNXBMFYSA-N 2 0 321.440 2.818 20 0 DFADRP CCOc1ccc([C@H](C)[NH2+]C2CCN(CC[NH+](C)C)CC2)cc1 ZINC000150998893 426271922 /nfs/dbraw/zinc/27/19/22/426271922.db2.gz PHRKGLCETUVBCI-INIZCTEOSA-N 2 0 319.493 2.762 20 0 DFADRP C[C@H](NC[C@@H](O)C[NH+]1CCCCC1)c1cc2c(s1)CCC2 ZINC000151298430 426288310 /nfs/dbraw/zinc/28/83/10/426288310.db2.gz VEGUCQZXDJBKQF-DZGCQCFKSA-N 2 0 308.491 2.734 20 0 DFADRP CCCC[N@@H+]1CCCC[C@H]1CNC(=O)C[C@H]([NH3+])c1ccccc1 ZINC000119583644 426298846 /nfs/dbraw/zinc/29/88/46/426298846.db2.gz PETLTVKEKJJKBN-ROUUACIJSA-N 2 0 317.477 2.847 20 0 DFADRP C1CC1[NH+]1CCC(NC2CC[NH+](C3CCCCC3)CC2)CC1 ZINC000119641227 426301014 /nfs/dbraw/zinc/30/10/14/426301014.db2.gz SMKZHKBCNDQNEQ-UHFFFAOYSA-N 3 0 305.510 3.000 20 0 DFADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1[NH2+]CCc1nc2c(s1)CCCC2 ZINC000089667511 426301593 /nfs/dbraw/zinc/30/15/93/426301593.db2.gz OOKCQJOXKQSVPZ-VNHYZAJKSA-N 2 0 307.507 2.883 20 0 DFADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]CCc1cc(F)cc2c1OCOC2 ZINC000120696641 426313591 /nfs/dbraw/zinc/31/35/91/426313591.db2.gz QYYAUMOBJUNJOP-XNJGSVPQSA-N 2 0 322.424 2.553 20 0 DFADRP C[C@H]([NH2+]CC1CC[NH+](CCO)CC1)c1ccc2c(c1)CCC2 ZINC000151815546 426313868 /nfs/dbraw/zinc/31/38/68/426313868.db2.gz IWVWOMIWVFHMDT-HNNXBMFYSA-N 2 0 302.462 2.530 20 0 DFADRP CCOc1c(CN(C)C[C@@H]2CC[N@H+](C)C2)c(C)nn1CC(C)C ZINC000120995917 426319783 /nfs/dbraw/zinc/31/97/83/426319783.db2.gz GZVZNGGIOANMMW-MRXNPFEDSA-N 2 0 322.497 2.630 20 0 DFADRP c1c(CC[NH2+][C@H]2[C@@H]3CCO[C@@H]3C23CCCC3)nc2n1CCCC2 ZINC000121188797 426323264 /nfs/dbraw/zinc/32/32/64/426323264.db2.gz JWUQMGSDGKALQY-SZMVWBNQSA-N 2 0 315.461 2.699 20 0 DFADRP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccc3c(c2)OCCO3)[C@H](C)C1 ZINC000175726583 426323712 /nfs/dbraw/zinc/32/37/12/426323712.db2.gz RHLVXLNGXLSEJV-ZBFHGGJFSA-N 2 0 304.434 2.620 20 0 DFADRP CC[N@@H+]1CC[C@@H]([NH2+]Cc2ccc(Cn3ccnc3)cc2)[C@H](C)C1 ZINC000152100747 426327053 /nfs/dbraw/zinc/32/70/53/426327053.db2.gz KELYJCMRHCTKGU-VQIMIIECSA-N 2 0 312.461 2.751 20 0 DFADRP C(NC1CC[NH+](C2CCCCC2)CC1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000152368420 426340598 /nfs/dbraw/zinc/34/05/98/426340598.db2.gz NTSDYYZXAWAGJY-INIZCTEOSA-N 3 0 305.510 2.857 20 0 DFADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+][C@H]2CCCc3ccccc32)CC1 ZINC000121347768 426336096 /nfs/dbraw/zinc/33/60/96/426336096.db2.gz ILPMXIXIWLOVFI-PXNSSMCTSA-N 2 0 315.505 2.927 20 0 DFADRP CCC[N@@H+]1CC[C@@H](C[NH2+]C2CCN(c3nc(C)cs3)CC2)C1 ZINC000151103567 426278428 /nfs/dbraw/zinc/27/84/28/426278428.db2.gz VZXFOQJSJUTBDO-HNNXBMFYSA-N 2 0 322.522 2.742 20 0 DFADRP CCC[N@@H+]1CC[C@@H](C[NH2+]C2CCN(c3ccccc3)CC2)C1 ZINC000151121152 426280037 /nfs/dbraw/zinc/28/00/37/426280037.db2.gz FICLRTWBLXEOGW-KRWDZBQOSA-N 2 0 301.478 2.977 20 0 DFADRP C[C@H](C(=O)N1CCC(C[NH+]2CCCC2)CC1)[NH+]1CCCCCC1 ZINC000175166363 426284754 /nfs/dbraw/zinc/28/47/54/426284754.db2.gz BNLUGOQQKDJCGY-QGZVFWFLSA-N 2 0 321.509 2.585 20 0 DFADRP C[C@@H]1CCc2c(F)cccc2[C@@H]1NC[C@H](O)C[NH+]1CCCCC1 ZINC000151253173 426286358 /nfs/dbraw/zinc/28/63/58/426286358.db2.gz BPPPVZQABJMZJL-ZRGWGRIASA-N 2 0 320.452 2.886 20 0 DFADRP Cc1cc2ncc([C@H](C)[NH2+]C3CCN(C4CC4)CC3)c(C)n2n1 ZINC000122839588 426397208 /nfs/dbraw/zinc/39/72/08/426397208.db2.gz PYDKYDBPINTXCG-ZDUSSCGKSA-N 2 0 313.449 2.624 20 0 DFADRP CC(C)[C@H](C[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1)NC(=O)OC(C)(C)C ZINC000122829615 426397720 /nfs/dbraw/zinc/39/77/20/426397720.db2.gz VZPLBBDPJQJQSF-KFWWJZLASA-N 2 0 313.486 2.608 20 0 DFADRP Cc1ccccc1NC(=O)C[N@H+]1CC[C@@H](C)[C@H](n2ccnc2)C1 ZINC000122862932 426398721 /nfs/dbraw/zinc/39/87/21/426398721.db2.gz UETGOPUDZZWKKF-NVXWUHKLSA-N 2 0 312.417 2.713 20 0 DFADRP CC[N@H+](CC(=O)N1CCC[C@H](C[NH+]2CCCC[C@@H]2C)C1)C1CC1 ZINC000152615872 426348289 /nfs/dbraw/zinc/34/82/89/426348289.db2.gz KPCRVDUKTQBQRE-DLBZAZTESA-N 2 0 321.509 2.584 20 0 DFADRP C[C@@H]1CCC[C@H](C[NH+]2CCN(C[C@@H]3CCCC[N@@H+]3C)CC2)C1 ZINC000092796435 426352130 /nfs/dbraw/zinc/35/21/30/426352130.db2.gz ZGAPTDHKWBDIKK-QYZOEREBSA-N 2 0 307.526 2.915 20 0 DFADRP CC(C)c1cccc2c1OCCC[C@H]2NC[C@H](O)C[NH+](C)C ZINC000122306342 426368523 /nfs/dbraw/zinc/36/85/23/426368523.db2.gz QCYLSZMPDDAWOI-WMLDXEAASA-N 2 0 306.450 2.536 20 0 DFADRP C[C@@H](Cn1cccn1)[NH2+]CC1CC[NH+](Cc2cccs2)CC1 ZINC000122335908 426369920 /nfs/dbraw/zinc/36/99/20/426369920.db2.gz NUQVTXYRVUUXQK-HNNXBMFYSA-N 2 0 318.490 2.835 20 0 DFADRP C[C@H]1C[C@H](NCCC[NH+]2CCc3ccccc3C2)CC[N@@H+]1C ZINC000122758891 426391859 /nfs/dbraw/zinc/39/18/59/426391859.db2.gz GGOASSOBZMNHJR-QFBILLFUSA-N 3 0 301.478 2.507 20 0 DFADRP COc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+]CCC[NH+](C)C)CC3 ZINC000123010428 426409208 /nfs/dbraw/zinc/40/92/08/426409208.db2.gz CVZUGSKICQBHRY-CYBMUJFWSA-N 2 0 301.434 2.575 20 0 DFADRP C[C@@H]1C[N@H+](C)CC[C@@H]1NCc1cccnc1OC1CCCC1 ZINC000153885942 426411192 /nfs/dbraw/zinc/41/11/92/426411192.db2.gz HGWGEDMFUNMOFN-PBHICJAKSA-N 2 0 303.450 2.833 20 0 DFADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)CC1CC(C)(C)C1 ZINC000340283669 268960742 /nfs/dbraw/zinc/96/07/42/268960742.db2.gz NTHOAOHBCMVEEB-UHFFFAOYSA-N 2 0 311.514 2.545 20 0 DFADRP C[C@H]1CCCC[C@@H]1NC(=O)C[NH+]1CCC(CCC[NH+](C)C)CC1 ZINC000123106947 426413887 /nfs/dbraw/zinc/41/38/87/426413887.db2.gz NXWIGUYOYLWCLL-WMZOPIPTSA-N 2 0 323.525 2.735 20 0 DFADRP COC[C@@H](C)C[NH2+][C@H](C)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000123184455 426418506 /nfs/dbraw/zinc/41/85/06/426418506.db2.gz QWQKDDIWYNZLDB-LSDHHAIUSA-N 2 0 323.456 2.511 20 0 DFADRP C[C@H](C(=O)N1CCCCCC1)[NH+]1CCC(CCC[NH+](C)C)CC1 ZINC000123198335 426420052 /nfs/dbraw/zinc/42/00/52/426420052.db2.gz NJWKEIHMRSHMKC-QGZVFWFLSA-N 2 0 323.525 2.831 20 0 DFADRP C[N@H+](CCC[NH3+])CCC(=O)Nc1c(Cl)cccc1Cl ZINC000123289125 426424796 /nfs/dbraw/zinc/42/47/96/426424796.db2.gz LTCCPGWBVRNASJ-UHFFFAOYSA-N 2 0 304.221 2.603 20 0 DFADRP CC[NH+]1CCN(CCC[NH2+][C@@H]2c3ccccc3C[C@H]2C)CC1 ZINC000154258940 426432412 /nfs/dbraw/zinc/43/24/12/426432412.db2.gz NFLKWYABRCJFME-APWZRJJASA-N 2 0 301.478 2.537 20 0 DFADRP CC[NH+]1CCN(CCC[NH2+][C@@H](C)c2ccc3c(c2)CCC3)CC1 ZINC000154250875 426432431 /nfs/dbraw/zinc/43/24/31/426432431.db2.gz HWLDFSIBQGYYGI-KRWDZBQOSA-N 2 0 315.505 2.854 20 0 DFADRP CC[NH+]1CCN(CCC[NH2+][C@@H]2c3ccccc3C[C@@H]2C)CC1 ZINC000154258700 426432850 /nfs/dbraw/zinc/43/28/50/426432850.db2.gz NFLKWYABRCJFME-LPHOPBHVSA-N 2 0 301.478 2.537 20 0 DFADRP CC[NH+]1CCN(CCC[NH2+][C@H](C)c2ccc(C)cc2C)CC1 ZINC000154299084 426434681 /nfs/dbraw/zinc/43/46/81/426434681.db2.gz ACDDHCXTEXFWPM-GOSISDBHSA-N 2 0 303.494 2.982 20 0 DFADRP CC[C@H]1CCCCN1C(=O)C[NH+]1CCC(CCC[NH+](C)C)CC1 ZINC000123533987 426438962 /nfs/dbraw/zinc/43/89/62/426438962.db2.gz TWSNSLZIPODXBP-SFHVURJKSA-N 2 0 323.525 2.831 20 0 DFADRP CC[NH+](CC)CCCNC(=O)c1ccc(C[NH+](CC)CC)cc1 ZINC000096568082 426438990 /nfs/dbraw/zinc/43/89/90/426438990.db2.gz PEFSBOVFICRTCV-UHFFFAOYSA-N 2 0 319.493 2.990 20 0 DFADRP CCCCc1noc(CN2CCC(CCC[NH+](C)C)CC2)n1 ZINC000123529618 426439294 /nfs/dbraw/zinc/43/92/94/426439294.db2.gz DXNXGIZEROIISG-UHFFFAOYSA-N 2 0 308.470 2.966 20 0 DFADRP C[C@@H](C(=O)NCC[N@H+]1[C@H](C)CCC[C@@H]1C)[NH+]1[C@@H](C)CC[C@@H]1C ZINC000341430854 269076111 /nfs/dbraw/zinc/07/61/11/269076111.db2.gz QFEJPNSUUIQMOL-QEOTZNIISA-N 2 0 309.498 2.627 20 0 DFADRP Cc1ccc([C@@H]([NH2+]CCCN2CC[NH+](C)CC2)C2CC2)cc1 ZINC000123967632 426463706 /nfs/dbraw/zinc/46/37/06/426463706.db2.gz JERVMGWGZWGNFB-LJQANCHMSA-N 2 0 301.478 2.673 20 0 DFADRP CC[NH+](CC)Cc1ccccc1C[NH2+][C@@H](C)C(=O)N(C)C(C)C ZINC000177415709 426477379 /nfs/dbraw/zinc/47/73/79/426477379.db2.gz ZCJQUJILYHTXJR-INIZCTEOSA-N 2 0 319.493 2.873 20 0 DFADRP Cc1cccc2c1CC[C@@H]2[NH2+]CC1CC[NH+](CCN(C)C)CC1 ZINC000124348545 426480820 /nfs/dbraw/zinc/48/08/20/426480820.db2.gz WNSWAPOYBKQKQA-FQEVSTJZSA-N 2 0 315.505 2.846 20 0 DFADRP C[N@H+](CCCn1ccnc1)CC(=O)Nc1ccc(F)c(Cl)c1 ZINC000124370537 426481579 /nfs/dbraw/zinc/48/15/79/426481579.db2.gz BZHSQLDUKCTAMN-UHFFFAOYSA-N 2 0 324.787 2.636 20 0 DFADRP Cc1ccsc1[C@H](C)[NH2+]CC1CC[NH+](CCN(C)C)CC1 ZINC000124417159 426483599 /nfs/dbraw/zinc/48/35/99/426483599.db2.gz UHGPZQMFHFNMTP-HNNXBMFYSA-N 2 0 309.523 2.981 20 0 DFADRP CCO[C@@H]1C[C@H]([NH2+]C2CC[NH+](C(C)(C)C)CC2)C12CCOCC2 ZINC000186394499 426518561 /nfs/dbraw/zinc/51/85/61/426518561.db2.gz NPAWIDIVCLXVRL-DLBZAZTESA-N 2 0 324.509 2.813 20 0 DFADRP C[C@@H]1C[C@@H]([NH2+]CCc2cn(C)c3cc(F)ccc23)CC[N@@H+]1C ZINC000186413377 426522333 /nfs/dbraw/zinc/52/23/33/426522333.db2.gz CAKBCCGWOXGRBP-CJNGLKHVSA-N 2 0 303.425 2.932 20 0 DFADRP CCc1ccc([C@H](C)[NH2+][C@@H](C)CCN2CC[NH+](C)CC2)cc1 ZINC000186576341 426554745 /nfs/dbraw/zinc/55/47/45/426554745.db2.gz OCICDNREGUOUTP-IRXDYDNUSA-N 2 0 303.494 2.926 20 0 DFADRP C[C@H](NC(=O)C[NH+]1CCC(C)CC1)[C@H](c1ccccc1)[NH+](C)C ZINC000186484226 426537201 /nfs/dbraw/zinc/53/72/01/426537201.db2.gz IDKZOVDIVKCBEO-QFBILLFUSA-N 2 0 317.477 2.526 20 0 DFADRP C[C@H]([NH2+]CC1(C)CC[NH+](C)CC1)c1ccc2c(c1)OCCO2 ZINC000272512750 426545205 /nfs/dbraw/zinc/54/52/05/426545205.db2.gz GMXYVDHKVNIUQQ-AWEZNQCLSA-N 2 0 304.434 2.840 20 0 DFADRP C[C@@H]1CN(Cc2ccccc2)C[C@H]1[NH2+]CC1(C)CC[NH+](C)CC1 ZINC000272525429 426548251 /nfs/dbraw/zinc/54/82/51/426548251.db2.gz JMAJDHTUXIIRPR-IEBWSBKVSA-N 2 0 315.505 2.828 20 0 DFADRP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)Cc2cccc(Cl)c2)CC1 ZINC000264420221 426549651 /nfs/dbraw/zinc/54/96/51/426549651.db2.gz ZZMMIKMETBMXCU-CQSZACIVSA-N 2 0 310.869 2.865 20 0 DFADRP C[C@@H]([NH2+]CCCC[N@@H+]1CCC[C@@H]1CO)c1ccc2c(c1)CCO2 ZINC000178070328 426566821 /nfs/dbraw/zinc/56/68/21/426566821.db2.gz WBZMPQIVXSNIQP-CRAIPNDOSA-N 2 0 318.461 2.509 20 0 DFADRP CCOC(=O)[C@@H](c1ccccc1)N1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000178114244 426573301 /nfs/dbraw/zinc/57/33/01/426573301.db2.gz WKYJKVMOUPIFMG-KZNAEPCWSA-N 2 0 316.445 2.707 20 0 DFADRP CC(C)[C@@](C)(O)C[NH2+][C@@H](C)c1cccc(OCC[NH+](C)C)c1 ZINC000178116572 426574175 /nfs/dbraw/zinc/57/41/75/426574175.db2.gz OYQZLRNZCIGZMT-YJBOKZPZSA-N 2 0 308.466 2.685 20 0 DFADRP COc1cccc(CN2C[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)n1 ZINC000280506774 426588515 /nfs/dbraw/zinc/58/85/15/426588515.db2.gz RCPBPWCMHSZDSE-HDICACEKSA-N 2 0 323.440 2.654 20 0 DFADRP C[C@@H](C[NH2+][C@@H](C)c1ccc([S@](C)=O)cc1)C[NH+]1CCCC1 ZINC000178244021 426592306 /nfs/dbraw/zinc/59/23/06/426592306.db2.gz NQKGOMCZVJBRLD-GXZWQRSESA-N 2 0 308.491 2.807 20 0 DFADRP COc1ccc2[nH]c3c(c2c1)C[C@@H]([NH2+][C@@H](C)CC[NH+](C)C)CC3 ZINC000273111126 426594881 /nfs/dbraw/zinc/59/48/81/426594881.db2.gz WIVXYELOPZIQAE-KBPBESRZSA-N 2 0 315.461 2.964 20 0 DFADRP Cc1nccn1C[C@H]1CCC[N@@H+]1C[C@H](O)c1ccc(F)cc1 ZINC000178299406 426602095 /nfs/dbraw/zinc/60/20/95/426602095.db2.gz IWNYPBIAAJKMAV-SJORKVTESA-N 2 0 303.381 2.529 20 0 DFADRP C[C@H]1CC[C@@H](C[N@@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)O1 ZINC000280607579 426612970 /nfs/dbraw/zinc/61/29/70/426612970.db2.gz XLLJBQWCMWDWCC-KANFNMMFSA-N 2 0 300.446 2.618 20 0 DFADRP Cc1ccc(CC[C@H](C)[NH2+][C@@H](C)CCN2CC[NH+](C)CC2)cc1 ZINC000186582047 426557459 /nfs/dbraw/zinc/55/74/59/426557459.db2.gz SUCOLFWGSRLHNU-OALUTQOASA-N 2 0 317.521 2.932 20 0 DFADRP c1[nH+]cn2ccc(-c3noc(C4CC[NH+](C5CC5)CC4)n3)cc12 ZINC000288973109 426559613 /nfs/dbraw/zinc/55/96/13/426559613.db2.gz BKOJEPQNYFZDJJ-UHFFFAOYSA-N 2 0 309.373 2.726 20 0 DFADRP C[C@H](C[NH2+]C1CC[NH+](C2CCCCC2)CC1)Cn1ccnc1 ZINC000178049999 426563280 /nfs/dbraw/zinc/56/32/80/426563280.db2.gz QYDFTWFEXWKRJD-MRXNPFEDSA-N 2 0 304.482 2.906 20 0 DFADRP C[C@@H](CCN1CC[NH+](C)CC1)[NH2+][C@@H](C)Cc1ccc(Cl)cc1 ZINC000186606124 426563727 /nfs/dbraw/zinc/56/37/27/426563727.db2.gz JPIUXXRUNBEARD-HOTGVXAUSA-N 2 0 323.912 2.887 20 0 DFADRP CCC(C)(C)[NH2+][C@@H](C)C(=O)NCc1ccccc1C[NH+](C)C ZINC000273267842 426631604 /nfs/dbraw/zinc/63/16/04/426631604.db2.gz UQKNUQCKSCABPQ-AWEZNQCLSA-N 2 0 305.466 2.531 20 0 DFADRP CN(Cc1cc(Cl)cc2c1OCC2)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000228494430 426632273 /nfs/dbraw/zinc/63/22/73/426632273.db2.gz NZZNNXHGAWXJQA-XYPWUTKMSA-N 2 0 306.837 2.990 20 0 DFADRP C[C@H]1C[C@H]([NH2+]CCN2CCC([NH+](C)C)CC2)c2ccccc21 ZINC000289343378 426632636 /nfs/dbraw/zinc/63/26/36/426632636.db2.gz XDJVZDQOZOGMST-KXBFYZLASA-N 2 0 301.478 2.851 20 0 DFADRP [NH3+][C@@H]1CCC[C@@H]2CN(Cc3coc(-c4cccs4)n3)C[C@H]21 ZINC000228474079 426633262 /nfs/dbraw/zinc/63/32/62/426633262.db2.gz KDPNETIEHZOITE-MRVWCRGKSA-N 2 0 303.431 2.962 20 0 DFADRP C[C@H]([NH2+]C1CC[NH+](C[C@@H]2CCOC2)CC1)C1CCSCC1 ZINC000187224156 426641711 /nfs/dbraw/zinc/64/17/11/426641711.db2.gz JCOHCIOIFIUPHD-GJZGRUSLSA-N 2 0 312.523 2.609 20 0 DFADRP C[C@H](NCc1nnc(C2CC2)[nH]1)c1ccc(-n2ccnc2)cc1 ZINC000273320230 426642696 /nfs/dbraw/zinc/64/26/96/426642696.db2.gz PBYDFQMVEIVWHY-LBPRGKRZSA-N 2 0 308.389 2.719 20 0 DFADRP COC[C@@H](CCC[NH3+])[NH2+][C@H](C)c1ccccc1Br ZINC000234751404 426658502 /nfs/dbraw/zinc/65/85/02/426658502.db2.gz WZIWVDPYRHCEKZ-VXGBXAGGSA-N 2 0 315.255 2.854 20 0 DFADRP C[C@H](O)C[NH+]1CCC(C[N@H+](C)Cc2ccc3occc3c2)CC1 ZINC000289449140 426660394 /nfs/dbraw/zinc/66/03/94/426660394.db2.gz XCPPMIFMZWHEHS-HNNXBMFYSA-N 2 0 316.445 2.957 20 0 DFADRP c1ccc(CC[NH+]2CCC([NH2+]C[C@@H]3CCCOC3)CC2)cc1 ZINC000236603106 426664695 /nfs/dbraw/zinc/66/46/95/426664695.db2.gz WXFKPCKPICIAQT-SFHVURJKSA-N 2 0 302.462 2.710 20 0 DFADRP COCCC[C@@H](C)[NH2+]C[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000178620354 426664901 /nfs/dbraw/zinc/66/49/01/426664901.db2.gz NCHZDSKSJVSJHL-IEBWSBKVSA-N 2 0 304.478 2.956 20 0 DFADRP CC(C)[C@H](CNC(=O)[C@H](N)c1ccccc1)[NH+]1CCC(C)CC1 ZINC000236666788 426673230 /nfs/dbraw/zinc/67/32/30/426673230.db2.gz VEVRWDDQFHGRCA-ZWKOTPCHSA-N 2 0 317.477 2.559 20 0 DFADRP CCC(CC)(C[NH3+])C(=O)NCC[C@H](C)[N@H+](C)Cc1ccccc1 ZINC000236669307 426673601 /nfs/dbraw/zinc/67/36/01/426673601.db2.gz JIKQBNYXKIRGNT-INIZCTEOSA-N 2 0 319.493 2.778 20 0 DFADRP C[C@H](CNC(=O)[C@H](C)[C@@H]([NH3+])c1ccccc1)[NH+]1CCC(C)CC1 ZINC000236724061 426680426 /nfs/dbraw/zinc/68/04/26/426680426.db2.gz FSLMCLLMOKPMIM-JFIYKMOQSA-N 2 0 317.477 2.559 20 0 DFADRP CCCN(CC)C[C@@H](C)[NH2+]C1CCN(c2ccccn2)CC1 ZINC000290049100 426680958 /nfs/dbraw/zinc/68/09/58/426680958.db2.gz DYEHHEWYNNWLEL-MRXNPFEDSA-N 3 0 304.482 2.760 20 0 DFADRP C[C@@H]([NH2+]CCC[NH+]1CCCC1)c1ccc(OCC[NH+](C)C)cc1 ZINC000178411778 426623636 /nfs/dbraw/zinc/62/36/36/426623636.db2.gz SOPBSQNEUPLXQQ-QGZVFWFLSA-N 3 0 319.493 2.764 20 0 DFADRP CC(C)[C@H](Cc1ccccc1)[NH2+]C[C@H](O)C[NH+]1CCCCC1 ZINC000187050224 426624880 /nfs/dbraw/zinc/62/48/80/426624880.db2.gz UOQDXFKFBDCPLJ-OALUTQOASA-N 2 0 304.478 2.690 20 0 DFADRP CC[C@@H]([NH2+]Cc1ccnc(N2CC[NH+](C)CC2)c1)C(C)(C)C ZINC000289322463 426626852 /nfs/dbraw/zinc/62/68/52/426626852.db2.gz UTELWWORLPWJHC-MRXNPFEDSA-N 2 0 304.482 2.748 20 0 DFADRP CC(C)[C@@](C)(O)C[N@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000187101896 426629079 /nfs/dbraw/zinc/62/90/79/426629079.db2.gz CAIVFCAZFYCOHN-OALUTQOASA-N 2 0 304.478 2.847 20 0 DFADRP COC[C@@H]([NH2+]C[C@H](c1ccc(C)cc1)N(C)C)C1CCOCC1 ZINC000187889656 426702974 /nfs/dbraw/zinc/70/29/74/426702974.db2.gz MUAVNUHEJKPMSF-RTBURBONSA-N 2 0 320.477 2.629 20 0 DFADRP CC[NH+](CC)[C@@H](C(=O)N1CCC([C@H](C)[NH3+])CC1)c1ccccc1 ZINC000178824724 426702990 /nfs/dbraw/zinc/70/29/90/426702990.db2.gz RXMNCZXFVKWHQY-MAUKXSAKSA-N 2 0 317.477 2.655 20 0 DFADRP OC1CC[NH+](CCCNCc2ccc(-c3ccccc3)o2)CC1 ZINC000238151410 426710948 /nfs/dbraw/zinc/71/09/48/426710948.db2.gz ZDCLPKQEVZZQOR-UHFFFAOYSA-N 2 0 314.429 2.883 20 0 DFADRP C[C@H](C[NH2+]C[C@H](C)c1cccc(Cl)c1)CN1CC[NH+](C)CC1 ZINC000187856625 426699680 /nfs/dbraw/zinc/69/96/80/426699680.db2.gz OIVDMUWGAKHSPU-CVEARBPZSA-N 2 0 323.912 2.917 20 0 DFADRP Cc1cccc(NC[C@H]2CC[N@H+](CC3CCC(=O)CC3)C2)n1 ZINC000290142440 426701346 /nfs/dbraw/zinc/70/13/46/426701346.db2.gz VUVSZCRYBVVVLN-MRXNPFEDSA-N 2 0 301.434 2.883 20 0 DFADRP [NH3+][C@@H](CC(=O)N1CCC[N@@H+](C2CCCC2)CC1)c1ccccc1 ZINC000178818234 426701380 /nfs/dbraw/zinc/70/13/80/426701380.db2.gz TZNZLJOSDXGNAF-SFHVURJKSA-N 2 0 315.461 2.553 20 0 DFADRP CC[C@H](C(=O)NC[C@H](c1cccs1)[NH+](C)C)[NH+](CC)CC ZINC000266728616 426769326 /nfs/dbraw/zinc/76/93/26/426769326.db2.gz NYBIGBFBQMYKIS-ZIAGYGMSSA-N 2 0 311.495 2.587 20 0 DFADRP CCC[NH+]1CCC([NH2+]C[C@]2(O)CCC[C@H](C(F)(F)F)C2)CC1 ZINC000188633715 426771068 /nfs/dbraw/zinc/77/10/68/426771068.db2.gz HGIFGOBLFTYWHV-ZFWWWQNUSA-N 2 0 322.415 2.934 20 0 DFADRP C[C@@H]([NH2+]CCCC[N@@H+]1CCC[C@@H]1CO)c1ccc(F)c(F)c1 ZINC000266743434 426771492 /nfs/dbraw/zinc/77/14/92/426771492.db2.gz ABHSSVKRULZEMU-UKRRQHHQSA-N 2 0 312.404 2.852 20 0 DFADRP Cc1nn(C)cc1CN(Cc1ccccc1)C1CC[NH+](C)CC1 ZINC000290486822 426775709 /nfs/dbraw/zinc/77/57/09/426775709.db2.gz OJDOMDZFYKZMRG-UHFFFAOYSA-N 2 0 312.461 2.825 20 0 DFADRP CCO[C@@H]1C[C@H]([NH2+]CCCC[N@@H+]2CCC[C@H]2CO)C12CCCC2 ZINC000245914059 426783264 /nfs/dbraw/zinc/78/32/64/426783264.db2.gz PSLZIINEUDTFMR-OKZBNKHCSA-N 2 0 324.509 2.551 20 0 DFADRP COCCOCc1ccc(C[NH2+]CC2(C)CC[NH+](C)CC2)cc1 ZINC000290243323 426724889 /nfs/dbraw/zinc/72/48/89/426724889.db2.gz ZRSDYBKTOBPJMW-UHFFFAOYSA-N 2 0 320.477 2.671 20 0 DFADRP c1ccc(CCOC2CC[NH+](CC3CC[NH2+]CC3)CC2)cc1 ZINC000178961089 426727044 /nfs/dbraw/zinc/72/70/44/426727044.db2.gz WOWAAOZCSCHBSD-UHFFFAOYSA-N 2 0 302.462 2.710 20 0 DFADRP CC(C)C1CCC(N2CC[NH+](CC3CC[NH2+]CC3)CC2)CC1 ZINC000178982280 426729916 /nfs/dbraw/zinc/72/99/16/426729916.db2.gz JFNHEBWJKARQGM-UHFFFAOYSA-N 2 0 307.526 2.818 20 0 DFADRP CC[NH+](CC)CCN(CCC(F)(F)F)CC1CC[NH2+]CC1 ZINC000178982313 426730316 /nfs/dbraw/zinc/73/03/16/426730316.db2.gz DAOBGMDMWLYOKH-UHFFFAOYSA-N 2 0 309.420 2.582 20 0 DFADRP COCC[N@@H+]1CC[C@H](Nc2ccc(Cl)c(C[NH+](C)C)c2)C1 ZINC000281614509 426730298 /nfs/dbraw/zinc/73/02/98/426730298.db2.gz NHUDXRCFRKDBMD-HNNXBMFYSA-N 2 0 311.857 2.534 20 0 DFADRP CC[NH+](CC)C[C@H]1CCN(C[C@@H](O)c2c(F)cccc2F)C1 ZINC000266617780 426750971 /nfs/dbraw/zinc/75/09/71/426750971.db2.gz YSDIPTDFGDLUNT-CZUORRHYSA-N 2 0 312.404 2.662 20 0 DFADRP Cn1cncc1C[NH2+][C@@H]1c2ccccc2CC[C@H]1n1ccnc1 ZINC000290419938 426760671 /nfs/dbraw/zinc/76/06/71/426760671.db2.gz KQCFEOARTKRSOL-QZTJIDSGSA-N 2 0 307.401 2.635 20 0 DFADRP C[N@@H+]1CC[C@@H]2[C@@H](CCCN2Cc2cncc(Br)c2)C1 ZINC000290427374 426762379 /nfs/dbraw/zinc/76/23/79/426762379.db2.gz LDOSPCYMSUJMTP-DZGCQCFKSA-N 2 0 324.266 2.760 20 0 DFADRP CCC[C@H](C(=O)N[C@H](C)[C@@H](c1ccccc1)[NH+](C)C)[NH+](C)C ZINC000274596556 426799872 /nfs/dbraw/zinc/79/98/72/426799872.db2.gz LNQNKAZEOHOXMK-OIISXLGYSA-N 2 0 305.466 2.524 20 0 DFADRP Cn1ccnc1CN[C@H]1c2ccccc2CC[C@H]1n1ccnc1 ZINC000290603269 426802659 /nfs/dbraw/zinc/80/26/59/426802659.db2.gz WBCOYQAOLLVHCH-AEFFLSMTSA-N 2 0 307.401 2.635 20 0 DFADRP Cc1ccc(C[NH+](C)C)cc1NC(=O)[C@@H]1C[C@H]2CCCC[C@H]2[NH2+]1 ZINC000246165196 426805225 /nfs/dbraw/zinc/80/52/25/426805225.db2.gz AQGHLZZXSGASOA-NUJGCVRESA-N 2 0 315.461 2.916 20 0 DFADRP CCC(C)(C)[NH2+][C@@H](C)C(=O)NC[C@H](c1ccco1)[NH+]1CCCC1 ZINC000274632114 426807732 /nfs/dbraw/zinc/80/77/32/426807732.db2.gz WDBUBSNSMNDZAY-LSDHHAIUSA-N 2 0 321.465 2.699 20 0 DFADRP C[C@@H](Cc1ccc(Cl)cc1)[NH2+]CCN1CC[N@H+](C)C(C)(C)C1 ZINC000282046550 426819198 /nfs/dbraw/zinc/81/91/98/426819198.db2.gz AWCAJFJHUJGHCP-HNNXBMFYSA-N 2 0 323.912 2.887 20 0 DFADRP C[N@@H+]1CCC[C@@H]1CC[NH+]1CCC(N2CCc3ccccc32)CC1 ZINC000282056586 426821418 /nfs/dbraw/zinc/82/14/18/426821418.db2.gz MIDSZZJLPBAMIQ-GOSISDBHSA-N 2 0 313.489 2.998 20 0 DFADRP C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)C[C@@H]([NH3+])c2ccccc2)C1 ZINC000246371160 426825779 /nfs/dbraw/zinc/82/57/79/426825779.db2.gz OABYRMVKAHSGPY-DOTOQJQBSA-N 2 0 317.477 2.703 20 0 DFADRP CCC[NH+]1CCC([N@H+](C)C[C@H](O)COc2cccc(C)c2)CC1 ZINC000267144097 426830576 /nfs/dbraw/zinc/83/05/76/426830576.db2.gz AJXKYAZXQGPWQV-SFHVURJKSA-N 2 0 320.477 2.541 20 0 DFADRP CC(C)(O)CC[NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]12 ZINC000274759824 426832097 /nfs/dbraw/zinc/83/20/97/426832097.db2.gz DFYIYGGFXMCYEK-FGTMMUONSA-N 2 0 302.462 2.648 20 0 DFADRP C[C@@H]1Cc2ccccc2[C@@H]1[NH2+]CCN1CC[N@H+](C)C(C)(C)C1 ZINC000282124900 426833753 /nfs/dbraw/zinc/83/37/53/426833753.db2.gz AZKJWPGZWOBZRL-CRAIPNDOSA-N 2 0 301.478 2.536 20 0 DFADRP CCN1CCC([NH2+]Cc2ccc(-c3cnn(C)c3)s2)CC1 ZINC000282162918 426842333 /nfs/dbraw/zinc/84/23/33/426842333.db2.gz DDEFUFQWYVORCQ-UHFFFAOYSA-N 2 0 304.463 2.723 20 0 DFADRP C[C@H](CC[NH2+]CCN1CC[N@H+](C)C(C)(C)C1)c1ccccc1 ZINC000282167522 426844618 /nfs/dbraw/zinc/84/46/18/426844618.db2.gz DTAOSWWRIQQZCO-QGZVFWFLSA-N 2 0 303.494 2.796 20 0 DFADRP Nc1ncccc1CN1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000295166397 426846651 /nfs/dbraw/zinc/84/66/51/426846651.db2.gz HSCRHZKBDPSMFJ-HXUWFJFHSA-N 2 0 322.456 2.762 20 0 DFADRP C[NH+]1CCN(c2ncccc2C[NH2+][C@@H]2CCC(C)(C)C2)CC1 ZINC000295174356 426848403 /nfs/dbraw/zinc/84/84/03/426848403.db2.gz LTXUYZPCCDVGPI-MRXNPFEDSA-N 2 0 302.466 2.502 20 0 DFADRP CCCn1cc(C[N@@H+]2CCCN(c3cc[nH+]c(C)c3)CC2)cn1 ZINC000274840405 426849104 /nfs/dbraw/zinc/84/91/04/426849104.db2.gz VFHDYNHZKDCUTF-UHFFFAOYSA-N 2 0 313.449 2.709 20 0 DFADRP C[C@H]([NH2+]C[C@@H]1CCC[C@@H]1O)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000274941698 426858578 /nfs/dbraw/zinc/85/85/78/426858578.db2.gz SZXHEBRXCKNBGO-WNHJNPCNSA-N 2 0 302.462 2.648 20 0 DFADRP Brc1ccc(CN2CCC[C@H](c3ncc[nH]3)C2)nc1 ZINC000266900126 426791886 /nfs/dbraw/zinc/79/18/86/426791886.db2.gz GJOUCJQGYQJNIX-NSHDSACASA-N 2 0 321.222 2.947 20 0 DFADRP CCc1cccc(C[NH+]2CCC(N3CCO[C@@H](C)C3)CC2)c1 ZINC000188864074 426796616 /nfs/dbraw/zinc/79/66/16/426796616.db2.gz HGOSNAUDHYNTCG-INIZCTEOSA-N 2 0 302.462 2.934 20 0 DFADRP C[C@@H]1[C@@H]([NH2+]Cc2ccc(CO)cc2)CCN1Cc1ccccc1 ZINC000309882122 426920389 /nfs/dbraw/zinc/92/03/89/426920389.db2.gz JWDPIGZETOWHPA-UZLBHIALSA-N 2 0 310.441 2.932 20 0 DFADRP Cc1ccc([C@H](C)[NH2+]CCN2CC[N@H+](C)C(C)(C)C2)cc1C ZINC000282243956 426863220 /nfs/dbraw/zinc/86/32/20/426863220.db2.gz JENNUVKSNWTKNB-KRWDZBQOSA-N 2 0 303.494 2.980 20 0 DFADRP C[C@H](CC(N)=O)[NH2+]Cc1ccccc1C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000267289605 426864945 /nfs/dbraw/zinc/86/49/45/426864945.db2.gz XLYHCHZCHOPJRQ-OWCLPIDISA-N 2 0 317.477 2.518 20 0 DFADRP C[C@H](CC(N)=O)[NH2+]CC1(N[C@@H](C)c2ccccc2)CCCC1 ZINC000267294997 426866853 /nfs/dbraw/zinc/86/68/53/426866853.db2.gz YZXQLSBMHVMRSO-CABCVRRESA-N 2 0 303.450 2.504 20 0 DFADRP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(OCCC[NH+](C)C)cc2)[C@H](C)O1 ZINC000295243586 426874779 /nfs/dbraw/zinc/87/47/79/426874779.db2.gz SXNOBZJZDISRQT-RVKKMQEKSA-N 2 0 306.450 2.673 20 0 DFADRP C[C@@H](CCN1CC[NH+](C)CC1)[NH2+]Cc1ccc(Cl)cc1F ZINC000275585148 426875006 /nfs/dbraw/zinc/87/50/06/426875006.db2.gz ILPZRWAESUZYOH-ZDUSSCGKSA-N 2 0 313.848 2.595 20 0 DFADRP CN(CC[N@H+](C)[C@@H]1C[C@@H]1c1ccccc1)C1CC[NH+](C)CC1 ZINC000291103454 426876817 /nfs/dbraw/zinc/87/68/17/426876817.db2.gz JPLQNVSGBBOWPD-RTBURBONSA-N 2 0 301.478 2.500 20 0 DFADRP C[C@H](NCC1([NH+](C)C)CCC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000275626344 426884241 /nfs/dbraw/zinc/88/42/41/426884241.db2.gz AMDSKGAELZNUAF-PKOBYXMFSA-N 2 0 315.505 2.971 20 0 DFADRP C[C@@H]1C[C@H](N[C@H]2CC[NH+](C3CC3)C2)CC[N@@H+]1Cc1ccccc1 ZINC000247034128 426893330 /nfs/dbraw/zinc/89/33/30/426893330.db2.gz NTVQOUAGZQGSPI-QRQLOZEOSA-N 2 0 313.489 2.866 20 0 DFADRP COc1ccc([C@@H](C)[NH2+]CCN2CC[N@H+](C)C(C)(C)C2)cc1C ZINC000282404556 426903663 /nfs/dbraw/zinc/90/36/63/426903663.db2.gz RVHXULNMQMSWAL-MRXNPFEDSA-N 2 0 319.493 2.680 20 0 DFADRP COc1ccc(C[C@@H](C)C[N@H+](C)C[C@@H]2CC[NH+](C)C2)cc1F ZINC000275733544 426909685 /nfs/dbraw/zinc/90/96/85/426909685.db2.gz PDEXSHFAEQLBCQ-GDBMZVCRSA-N 2 0 308.441 2.896 20 0 DFADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]C[C@H](c1ccc(F)cc1)N(C)C ZINC000247177580 426910399 /nfs/dbraw/zinc/91/03/99/426910399.db2.gz VAOZAMPYGWQFCR-KJWYOANISA-N 2 0 307.457 2.747 20 0 DFADRP CCN1CCC[C@H]([NH2+][C@H](C)c2cccc(OCC[NH+](C)C)c2)C1 ZINC000247177147 426911326 /nfs/dbraw/zinc/91/13/26/426911326.db2.gz UXOCBZLTVJUFIE-AEFFLSMTSA-N 2 0 319.493 2.762 20 0 DFADRP CC[N@@H+]1CC[C@H]([NH2+]Cc2cccc(Cn3ccnc3)c2)[C@@H](C)C1 ZINC000247150301 426911827 /nfs/dbraw/zinc/91/18/27/426911827.db2.gz SWAPUSNEEBBGRG-LPHOPBHVSA-N 3 0 312.461 2.751 20 0 DFADRP CCC(CC)C(=O)N1CCC([NH2+][C@H]2CC[N@H+](CC)C[C@H]2C)CC1 ZINC000247189149 426913200 /nfs/dbraw/zinc/91/32/00/426913200.db2.gz VQKMTFKOQQYMSW-QAPCUYQASA-N 2 0 323.525 2.734 20 0 DFADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@H]2CCN(c3ccccc3)C2)[C@H](C)C1 ZINC000247193043 426913658 /nfs/dbraw/zinc/91/36/58/426913658.db2.gz VWRLJOJIPBGAMI-LMMKCTJWSA-N 2 0 301.478 2.833 20 0 DFADRP C[NH+]1CCN(C(C)(C)C[NH2+]Cc2cccc(C3CC3)c2)CC1 ZINC000317077653 426953938 /nfs/dbraw/zinc/95/39/38/426953938.db2.gz WALPZABWAUPIBR-UHFFFAOYSA-N 2 0 301.478 2.680 20 0 DFADRP CCC[C@H]1C[NH+](CCCC[N@@H+]2CCO[C@@H](CCC)C2)CCO1 ZINC000247923427 426963991 /nfs/dbraw/zinc/96/39/91/426963991.db2.gz CGNLXVLGRNSYIP-ROUUACIJSA-N 2 0 312.498 2.768 20 0 DFADRP Cc1cc(C[NH2+]Cc2ccnc(OCC[NH+](C)C)c2)cs1 ZINC000295450947 426965208 /nfs/dbraw/zinc/96/52/08/426965208.db2.gz QDGWHNCEOCBLPJ-UHFFFAOYSA-N 2 0 305.447 2.682 20 0 DFADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]C1CCN(C(=O)C(C)(C)C)CC1 ZINC000321967271 426971297 /nfs/dbraw/zinc/97/12/97/426971297.db2.gz NPYVBLHXVGVOEL-WBVHZDCISA-N 2 0 323.525 2.924 20 0 DFADRP COCC[N@H+](C)CCCC1CC[NH+](Cc2ccc(F)cn2)CC1 ZINC000276154405 426994697 /nfs/dbraw/zinc/99/46/97/426994697.db2.gz CLGCCSYGHRHHDJ-UHFFFAOYSA-N 2 0 323.456 2.791 20 0 DFADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+][C@H]1CCCN(c2ccccc2)C1 ZINC000248067430 426977921 /nfs/dbraw/zinc/97/79/21/426977921.db2.gz MHUUUZHWNJMCEP-VXNCWWDNSA-N 2 0 301.478 2.974 20 0 DFADRP CC(C)Cn1cc(C[NH2+]CCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)cn1 ZINC000181781412 426980415 /nfs/dbraw/zinc/98/04/15/426980415.db2.gz JEUNYNNKCVSHLM-CALCHBBNSA-N 2 0 322.497 2.518 20 0 DFADRP CC(C)CN1CCO[C@@H](C[NH2+][C@@H](C)c2ccc(F)c(F)c2)C1 ZINC000181907573 426993184 /nfs/dbraw/zinc/99/31/84/426993184.db2.gz YYIOBCHGBVRLHU-ZFWWWQNUSA-N 2 0 312.404 2.972 20 0 DFADRP CCC[C@H](C(=O)OCC)[N@@H+]1CC[C@@H](CNc2cccc(C)[nH+]2)C1 ZINC000247399594 426934231 /nfs/dbraw/zinc/93/42/31/426934231.db2.gz REIONPZZMFZYTG-JKSUJKDBSA-N 2 0 319.449 2.856 20 0 DFADRP C[C@]1(c2ccccc2)CC[C@H]([NH2+]C[C@@H](O)C[NH+]2CCCC2)C1 ZINC000275903166 426944677 /nfs/dbraw/zinc/94/46/77/426944677.db2.gz SSGMSUKVBYCYPQ-OTWHNJEPSA-N 2 0 302.462 2.543 20 0 DFADRP CCN(CCC[NH+](C)C)C(=O)c1ccc(C[NH+]2CCCC2)cc1 ZINC000276171402 426997507 /nfs/dbraw/zinc/99/75/07/426997507.db2.gz FXDANTCRSSPGCW-UHFFFAOYSA-N 2 0 317.477 2.696 20 0 DFADRP C[C@@H]1C[C@H]1C[NH2+]Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000268372482 426999996 /nfs/dbraw/zinc/99/99/96/426999996.db2.gz SAHFYHMHOGTGRZ-WBVHZDCISA-N 2 0 301.478 2.963 20 0 DFADRP COc1ccccc1/C=C/C[NH2+]CC1(O)CC[NH+](C(C)C)CC1 ZINC000268407117 427008957 /nfs/dbraw/zinc/00/89/57/427008957.db2.gz GHJQOZCLGUIXQP-SOFGYWHQSA-N 2 0 318.461 2.533 20 0 DFADRP C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1[NH2+]CCn1ccnc1 ZINC000276256797 427017746 /nfs/dbraw/zinc/01/77/46/427017746.db2.gz QKLLJHOJNZTGIZ-IRXDYDNUSA-N 2 0 312.461 2.629 20 0 DFADRP OCCCCC[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000248718691 427034977 /nfs/dbraw/zinc/03/49/77/427034977.db2.gz FTBUCCKLZDTTFZ-LDLYASANSA-N 2 0 302.462 2.934 20 0 DFADRP C[C@H]([NH2+]C1(CNC(=O)C2([NH3+])CCC2)CCCC1)c1ccccc1 ZINC000295985393 427035764 /nfs/dbraw/zinc/03/57/64/427035764.db2.gz JVNQQRGWOHDBNE-HNNXBMFYSA-N 2 0 315.461 2.648 20 0 DFADRP CCC(CC)(CNC(=O)C1([NH3+])CCC1)[NH2+][C@@H](C)c1ccccc1 ZINC000295989148 427039328 /nfs/dbraw/zinc/03/93/28/427039328.db2.gz KCFCONGJIKOEIZ-HNNXBMFYSA-N 2 0 317.477 2.894 20 0 DFADRP C[C@@H]([NH2+]Cc1ccccc1C[N@@H+]1CC[C@H](O)C1)C1CCCC1 ZINC000182269496 427044983 /nfs/dbraw/zinc/04/49/83/427044983.db2.gz YSBSZJQPUZGYJH-BEFAXECRSA-N 2 0 302.462 2.922 20 0 DFADRP Cc1cccc(NC[C@@H]2CC[NH+](CC[C@H]3CCCC[N@H+]3C)C2)n1 ZINC000268563082 427053914 /nfs/dbraw/zinc/05/39/14/427053914.db2.gz POHGNDKYBAEOSN-ZWKOTPCHSA-N 2 0 316.493 2.998 20 0 DFADRP CC[N@H+](C)[C@H](C(=O)N[C@H](C)C[NH+](C)C(C)C)c1ccccc1 ZINC000292039614 427065789 /nfs/dbraw/zinc/06/57/89/427065789.db2.gz YGQBJNDKXCDXJA-WBVHZDCISA-N 2 0 305.466 2.524 20 0 DFADRP C[C@H](CNC(=O)C[C@@H]1CCCC[C@@H]1[NH3+])[N@H+](C)Cc1ccccc1 ZINC000296108967 427079094 /nfs/dbraw/zinc/07/90/94/427079094.db2.gz SGCAPMGFBOHWGA-NJAFHUGGSA-N 2 0 317.477 2.531 20 0 DFADRP CCCN(CC[NH+](CC)CC)C(=O)c1ccc2c[nH+]cn2c1 ZINC000283806177 427079972 /nfs/dbraw/zinc/07/99/72/427079972.db2.gz BRQRFSOZXVXEDO-UHFFFAOYSA-N 2 0 302.422 2.528 20 0 DFADRP CC1CC[NH+](C[C@H](O)C[NH2+][C@H]2CCC[C@@H]2CCCF)CC1 ZINC000337994688 427081264 /nfs/dbraw/zinc/08/12/64/427081264.db2.gz HAEYBYKGQBSVKX-ZACQAIPSSA-N 2 0 300.462 2.587 20 0 DFADRP CC[N@@H+]1CC[C@H]([NH+](C)C[C@H](O)CCc2ccccc2)[C@H](C)C1 ZINC000182528497 427093704 /nfs/dbraw/zinc/09/37/04/427093704.db2.gz UEJMUPWSNWHVRY-QRQLOZEOSA-N 2 0 304.478 2.642 20 0 DFADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]C[C@]1(O)CCC[C@@H](C(F)(F)F)C1 ZINC000249192215 427096069 /nfs/dbraw/zinc/09/60/69/427096069.db2.gz OOJJULGTVKSZSY-ZSAUSMIDSA-N 2 0 322.415 2.788 20 0 DFADRP CC[N@@H+]1CC[C@H]([NH+](C)CCOCC(F)(F)C(F)F)[C@@H](C)C1 ZINC000249290037 427103551 /nfs/dbraw/zinc/10/35/51/427103551.db2.gz MFZRKFDATTYEFK-RYUDHWBXSA-N 2 0 314.367 2.566 20 0 DFADRP C[C@H]([N@H+](C)CC(=O)NC[C@H](c1ccccc1)[NH+](C)C)C1(C)CC1 ZINC000249293228 427104374 /nfs/dbraw/zinc/10/43/74/427104374.db2.gz LJYXDJTVCNMPSB-DOTOQJQBSA-N 2 0 317.477 2.526 20 0 DFADRP CC(C)[N@H+](C)CCC[NH2+][C@@H](C)c1cccc(N2CCOCC2)c1 ZINC000268764490 427108168 /nfs/dbraw/zinc/10/81/68/427108168.db2.gz NGQBDYHGUSVJNH-KRWDZBQOSA-N 2 0 319.493 2.904 20 0 DFADRP C[C@H]1C[C@@H](NC(=O)C=Cc2c[nH]cn2)CC[N@@H+]1Cc1ccccc1 ZINC000276594458 427110567 /nfs/dbraw/zinc/11/05/67/427110567.db2.gz NKKWFKAWVSVYMU-QDUBOOTOSA-N 2 0 324.428 2.592 20 0 DFADRP CNC(=O)C[C@H](C)[NH2+]Cc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000268823648 427128265 /nfs/dbraw/zinc/12/82/65/427128265.db2.gz OSEJWTZHFRQRMO-CVEARBPZSA-N 2 0 317.477 2.533 20 0 DFADRP CC1CC[NH+](C[C@H]2CCC[N@H+](CCCn3ccnc3)C2)CC1 ZINC000182742662 427135682 /nfs/dbraw/zinc/13/56/82/427135682.db2.gz NJZHUYLEZOYDGO-SFHVURJKSA-N 2 0 304.482 2.717 20 0 DFADRP C[C@H](C(=O)NCc1ccccc1C[NH+](C)C)[NH+]1[C@H](C)CC[C@H]1C ZINC000249737639 427139994 /nfs/dbraw/zinc/13/99/94/427139994.db2.gz GQOQFAROCPIVAU-BZUAXINKSA-N 2 0 317.477 2.626 20 0 DFADRP C[C@H]1C[C@@H]([NH2+]CCCC[NH+](C)C)CCN1Cc1ccccc1 ZINC000269054747 427150021 /nfs/dbraw/zinc/15/00/21/427150021.db2.gz WKVPEMWPEBAHNG-HKUYNNGSSA-N 2 0 303.494 2.971 20 0 DFADRP CCC[N@H+](CC)Cc1ccc(C(=O)NC[C@H]([NH3+])C(C)C)cc1 ZINC000269276853 427156813 /nfs/dbraw/zinc/15/68/13/427156813.db2.gz OYIDVKWSWGSJEJ-KRWDZBQOSA-N 2 0 305.466 2.632 20 0 DFADRP CC(C)[C@@H](C[NH2+][C@@H](c1ccccc1)C1CC1)N1CC[NH+](C)CC1 ZINC000132887388 271040520 /nfs/dbraw/zinc/04/05/20/271040520.db2.gz LZQVUZILDHSXBB-UXHICEINSA-N 2 0 315.505 2.999 20 0 DFADRP CCOC(=O)c1cc(CNC2CC[NH+](CC(C)C)CC2)[nH]c1C ZINC000296383621 427163953 /nfs/dbraw/zinc/16/39/53/427163953.db2.gz KRBJDNYFPODOPU-UHFFFAOYSA-N 2 0 321.465 2.710 20 0 DFADRP CC[N@H+](Cc1ccc(C(=O)N[C@@H]2CCC[C@@H]2C[NH3+])cc1)C1CC1 ZINC000157953245 271071847 /nfs/dbraw/zinc/07/18/47/271071847.db2.gz LJMJGPWXVYJTMX-SJLPKXTDSA-N 2 0 315.461 2.528 20 0 DFADRP C[NH+](C)Cc1cccc(CNC(=O)[C@@H]2CCCCCC[C@H]2[NH3+])c1 ZINC000164418512 271093545 /nfs/dbraw/zinc/09/35/45/271093545.db2.gz LTPIJYCCNBDIRO-QZTJIDSGSA-N 2 0 317.477 2.662 20 0 DFADRP CC(C)(C[NH3+])C(=O)NCc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000166410320 271097053 /nfs/dbraw/zinc/09/70/53/271097053.db2.gz YSJZJZADNLOXEQ-UHFFFAOYSA-N 2 0 317.477 2.664 20 0 DFADRP CC[NH+](CC)Cc1ccc(C(=O)N[C@@H]2CC[N@H+](C)[C@@H](C)C2)cc1 ZINC000338170970 427168061 /nfs/dbraw/zinc/16/80/61/427168061.db2.gz BKRJRGXPWBVTSX-MAUKXSAKSA-N 2 0 317.477 2.741 20 0 DFADRP CSc1ccccc1[C@@H](C)[NH2+]CC1CC[NH+](CCO)CC1 ZINC000194885975 271229164 /nfs/dbraw/zinc/22/91/64/271229164.db2.gz SJJCIJFOLLIABP-CQSZACIVSA-N 2 0 308.491 2.763 20 0 DFADRP CSc1ccccc1[C@@H](C)[NH2+]C[C@H](C)N1CC[NH+](C)CC1 ZINC000194884609 271229247 /nfs/dbraw/zinc/22/92/47/271229247.db2.gz JINVVDCPFADHLE-LSDHHAIUSA-N 2 0 307.507 2.695 20 0 DFADRP CSc1ccccc1[C@H](C)[NH2+][C@H](C)CN1CC[NH+](C)CC1 ZINC000194886905 271229479 /nfs/dbraw/zinc/22/94/79/271229479.db2.gz ZMDMMAJSPOFLFI-CABCVRRESA-N 2 0 307.507 2.695 20 0 DFADRP C[C@H](CCSc1ccccc1)[NH+]1CCC([N@H+](C)CCO)CC1 ZINC000269319922 427169229 /nfs/dbraw/zinc/16/92/29/427169229.db2.gz LZIXVWVFOFNKFB-MRXNPFEDSA-N 2 0 322.518 2.946 20 0 DFADRP Cc1ccccc1C[C@@H]([NH2+][C@@H](C)CN1CC[NH+](C)CC1)C1CC1 ZINC000284254331 427167096 /nfs/dbraw/zinc/16/70/96/427167096.db2.gz IPMQRFSMAJASTK-FXAWDEMLSA-N 2 0 315.505 2.542 20 0 DFADRP Cc1cc(C[N@@H+]2CCC[C@H](c3ncc4n3CCCC4)C2)ncn1 ZINC000292311583 427170252 /nfs/dbraw/zinc/17/02/52/427170252.db2.gz AJJHYEUYVVAIBP-HNNXBMFYSA-N 2 0 311.433 2.697 20 0 DFADRP C[C@@H]1C[C@H](N[C@H]2CC[NH+]3CCC[C@@H]3C2)C[N@@H+]1Cc1ccccc1 ZINC000303394879 271364136 /nfs/dbraw/zinc/36/41/36/271364136.db2.gz XGRHAFKBAZGUTK-BTHPGYMESA-N 2 0 313.489 2.866 20 0 DFADRP C[C@@H]1C[C@H](CC[NH2+]Cc2nccn2C)C[N@@H+]1Cc1ccccc1 ZINC000338196277 427185755 /nfs/dbraw/zinc/18/57/55/427185755.db2.gz OZBMOKGGPAXBHO-AEFFLSMTSA-N 2 0 312.461 2.810 20 0 DFADRP CC[NH+]1CCN([C@@H](C)C[NH2+][C@@H]2CCc3c2c(F)ccc3F)CC1 ZINC000338199956 427190096 /nfs/dbraw/zinc/19/00/96/427190096.db2.gz PBWCWEBWJQONBI-SUMWQHHRSA-N 2 0 323.431 2.568 20 0 DFADRP COCC[N@H+](C)CCC[NH2+][C@@H](C)[C@H]1C[C@@H]1c1ccc(OC)cc1 ZINC000284593198 427195299 /nfs/dbraw/zinc/19/52/99/427195299.db2.gz ZTWDSPBSUJWTNO-KFKAGJAMSA-N 2 0 320.477 2.745 20 0 DFADRP C[C@H](O)[C@@](C)(C[NH2+][C@H]1C[C@@H](C)[N@H+](C)C[C@H]1C)Cc1ccccc1 ZINC000253354018 427200000 /nfs/dbraw/zinc/20/00/00/427200000.db2.gz XTOPDHHJAMXUAF-NLPMXTIOSA-N 2 0 318.505 2.935 20 0 DFADRP C[C@H](O)[C@](C)(C[NH2+][C@H]1C[C@@H](C)[N@H+](C)C[C@H]1C)Cc1ccccc1 ZINC000253354017 427200093 /nfs/dbraw/zinc/20/00/93/427200093.db2.gz XTOPDHHJAMXUAF-JOMPHRNESA-N 2 0 318.505 2.935 20 0 DFADRP c1cn(CC[NH2+][C@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)cn1 ZINC000183125717 427205542 /nfs/dbraw/zinc/20/55/42/427205542.db2.gz YDMPTQOCRNZBNN-AQNXPRMDSA-N 2 0 324.472 2.773 20 0 DFADRP C[C@H](CO)C[NH2+][C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000183132038 427206846 /nfs/dbraw/zinc/20/68/46/427206846.db2.gz GGAVIIJAEMBEMR-DSLXNQLJSA-N 2 0 302.462 2.505 20 0 DFADRP C[C@@H](C(=O)N1CC[C@@H](C[NH+]2CCCCC2)C1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000253545345 427215179 /nfs/dbraw/zinc/21/51/79/427215179.db2.gz OPCJRHCYFFSIPJ-MHORFTMASA-N 2 0 321.509 2.582 20 0 DFADRP Cn1ccnc1[C@@H](NCCC[N@H+](C)Cc1ccccc1)C1CC1 ZINC000183237514 427228776 /nfs/dbraw/zinc/22/87/76/427228776.db2.gz ZADDIOXKBSNRBX-SFHVURJKSA-N 2 0 312.461 2.983 20 0 DFADRP COCC[N@H+](C)CCCC1CC[NH+](C[C@@H]2CC[C@H](C)O2)CC1 ZINC000191029027 427234923 /nfs/dbraw/zinc/23/49/23/427234923.db2.gz OBFSGRNSAAKTIS-WMZOPIPTSA-N 2 0 312.498 2.624 20 0 DFADRP CC(=O)Nc1cccc(CN(C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)c1 ZINC000285475721 427242924 /nfs/dbraw/zinc/24/29/24/427242924.db2.gz KUUTYRRWCZXUQS-JWTNVVGKSA-N 2 0 301.434 2.702 20 0 DFADRP C[C@@H]1C[C@H]([NH2+][C@@H]2CCN(c3ccc(Cl)cc3)C2)CCN1C ZINC000183334244 427249293 /nfs/dbraw/zinc/24/92/93/427249293.db2.gz FSWQMBSJDCJMJM-FVQBIDKESA-N 2 0 307.869 2.991 20 0 DFADRP CSC[C@@H](O)C[NH2+][C@@H]1CCN(Cc2ccccc2)CC1(C)C ZINC000338322041 427259182 /nfs/dbraw/zinc/25/91/82/427259182.db2.gz SCUODQZHJSJOPX-DLBZAZTESA-N 2 0 322.518 2.601 20 0 DFADRP C[N@@H+]1CC[C@@H](NC(=O)c2ccc3c[nH+]cn3c2)[C@@H]1c1ccccc1 ZINC000285536027 427263725 /nfs/dbraw/zinc/26/37/25/427263725.db2.gz HQRPXCXZTQCVFD-MSOLQXFVSA-N 2 0 320.396 2.510 20 0 DFADRP COc1ccc(CN[C@H](C)CC[NH+](C)C)c(Br)c1 ZINC000285555776 427269448 /nfs/dbraw/zinc/26/94/48/427269448.db2.gz UZFFYFCMKNIACS-LLVKDONJSA-N 2 0 315.255 2.888 20 0 DFADRP C[N@H+](CCC(=O)Nc1ccc(F)cc1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000285556991 427270976 /nfs/dbraw/zinc/27/09/76/427270976.db2.gz RHVKHVPLUAJZNV-SJPCQFCGSA-N 2 0 319.424 2.711 20 0 DFADRP CCOC(=O)C1CCC([N@H+](CC)CCCn2ccnc2)CC1 ZINC000338380973 427287679 /nfs/dbraw/zinc/28/76/79/427287679.db2.gz YULKOUIRDFJYIG-UHFFFAOYSA-N 2 0 307.438 2.717 20 0 DFADRP CCOC(=O)C1CCC([N@H+](CC)CC[C@H]2CCC[NH+]2C)CC1 ZINC000338364768 427278387 /nfs/dbraw/zinc/27/83/87/427278387.db2.gz FEEYQWBHMKLDDB-AQFXKWCLSA-N 2 0 310.482 2.915 20 0 DFADRP COc1cccc(OCC[N@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3C)c1 ZINC000285594399 427283110 /nfs/dbraw/zinc/28/31/10/427283110.db2.gz USRXFMDASRECIU-XYPWUTKMSA-N 2 0 304.434 2.631 20 0 DFADRP c1cn(CC[N@@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)cn1 ZINC000293369481 427303504 /nfs/dbraw/zinc/30/35/04/427303504.db2.gz OVQUSKZLFLFXHZ-UHFFFAOYSA-N 2 0 324.472 2.871 20 0 DFADRP C[C@H](CN1CC[NH+](C)CC1)[NH2+]CC1CCC(C(F)(F)F)CC1 ZINC000183703783 427321740 /nfs/dbraw/zinc/32/17/40/427321740.db2.gz LZGDOCPJLFTXCA-WLYUNCDWSA-N 2 0 321.431 2.581 20 0 DFADRP CCC[C@H]([NH3+])C(=O)NCc1ccccc1C[N@@H+]1CCCC[C@H]1C ZINC000262179401 427352987 /nfs/dbraw/zinc/35/29/87/427352987.db2.gz RTAWEYJQIXRRMW-QAPCUYQASA-N 2 0 317.477 2.805 20 0 DFADRP c1ccc(C[NH+]2CC[C@]3(CC[N@@H+](C[C@@H]4CCCO4)C3)C2)cc1 ZINC000285742386 427325918 /nfs/dbraw/zinc/32/59/18/427325918.db2.gz YFVUYPBVACPFBF-OALUTQOASA-N 2 0 300.446 2.763 20 0 DFADRP c1ccc(C[NH+]2CC[C@@]3(CC[N@@H+](C[C@@H]4CCCO4)C3)C2)cc1 ZINC000285742394 427326836 /nfs/dbraw/zinc/32/68/36/427326836.db2.gz YFVUYPBVACPFBF-RBUKOAKNSA-N 2 0 300.446 2.763 20 0 DFADRP C[C@H]1CCN(C[C@]2(C)CC[NH2+]C2)CC[N@@H+]1Cc1ccccc1 ZINC000261722178 427338804 /nfs/dbraw/zinc/33/88/04/427338804.db2.gz GBEPZGAFMYCOBV-PKOBYXMFSA-N 2 0 301.478 2.582 20 0 DFADRP C[C@H](CCCC[NH3+])NC(=O)[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000293327435 427290476 /nfs/dbraw/zinc/29/04/76/427290476.db2.gz IUYHHODMYUMNIX-SJLPKXTDSA-N 2 0 317.477 2.675 20 0 DFADRP Cc1nccn1CCC[N@@H+](C)Cc1cccc2nsnc21 ZINC000271031534 427377759 /nfs/dbraw/zinc/37/77/59/427377759.db2.gz QOCMWOKTDYOGKI-UHFFFAOYSA-N 2 0 301.419 2.718 20 0 DFADRP Cc1ccc2ncc(CN(C)C3CC[NH+](C(C)C)CC3)n2c1 ZINC000271038486 427381318 /nfs/dbraw/zinc/38/13/18/427381318.db2.gz KZDCIAGOZZXEJX-UHFFFAOYSA-N 2 0 300.450 2.947 20 0 DFADRP CO[C@H](C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C)C1CC1 ZINC000293623113 427384243 /nfs/dbraw/zinc/38/42/43/427384243.db2.gz FXHYGDOGDULFNV-AYOQOUSVSA-N 2 0 302.462 2.912 20 0 DFADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1[NH2+]CCc1cc(C(F)(F)F)ccn1 ZINC000293626491 427386111 /nfs/dbraw/zinc/38/61/11/427386111.db2.gz GEKVDGLHCHSTAK-TYNCELHUSA-N 2 0 315.383 2.961 20 0 DFADRP C[N@@H+]1CCC[C@@H]1CC[NH+]1C[C@H](c2ccccc2)[C@@H]2COCC[C@@H]21 ZINC000285965794 427386628 /nfs/dbraw/zinc/38/66/28/427386628.db2.gz NHMZVRORXZWFRX-ZRNYENFQSA-N 2 0 314.473 2.975 20 0 DFADRP C[N@@H+]1CCC[C@H]1CC[NH+](Cc1ccccc1)[C@H](CO)C1CC1 ZINC000271049632 427389425 /nfs/dbraw/zinc/38/94/25/427389425.db2.gz WQBUBOKGMJUEEW-RBUKOAKNSA-N 2 0 302.462 2.744 20 0 DFADRP CO[C@H](C)[C@H](C)[NH2+][C@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000191655408 427398547 /nfs/dbraw/zinc/39/85/47/427398547.db2.gz KYBJVUJHGOXVDX-PTIUUAQKSA-N 2 0 302.462 2.910 20 0 DFADRP Fc1ccccc1N1CC[C@H]([NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)C1 ZINC000293678784 427403853 /nfs/dbraw/zinc/40/38/53/427403853.db2.gz NCAJNRYKAWBBKQ-OWCLPIDISA-N 2 0 303.425 2.621 20 0 DFADRP C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)CC2(C[NH3+])CCCCC2)C1 ZINC000184228542 427419585 /nfs/dbraw/zinc/41/95/85/427419585.db2.gz UZHNTXLMAYEALJ-INIZCTEOSA-N 2 0 323.525 2.912 20 0 DFADRP CC[N@@H+]1CC[C@@H]([NH2+]CCc2cc(C(F)(F)F)ccn2)[C@@H](C)C1 ZINC000293720763 427414214 /nfs/dbraw/zinc/41/42/14/427414214.db2.gz NQOPCOMYFMDEJW-SWLSCSKDSA-N 2 0 315.383 2.963 20 0 DFADRP COC(=O)c1ccc(C[N@@H+]2CC[C@@H](C3CC[NH+](C)CC3)C2)cc1 ZINC000270428585 427357096 /nfs/dbraw/zinc/35/70/96/427357096.db2.gz HLWBJOHQNQFSCO-GOSISDBHSA-N 2 0 316.445 2.637 20 0 DFADRP CCc1noc(C)c1C[NH2+]C1CCN(Cc2ccccn2)CC1 ZINC000293571167 427368200 /nfs/dbraw/zinc/36/82/00/427368200.db2.gz BHLZRJBWYWCHOM-UHFFFAOYSA-N 2 0 314.433 2.695 20 0 DFADRP Cc1ccnc([C@@H](C)[NH2+]CCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000286207841 427454456 /nfs/dbraw/zinc/45/44/56/427454456.db2.gz RXLIYWKRAWNWJN-IXDOHACOSA-N 2 0 305.466 2.930 20 0 DFADRP C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000263293996 427455443 /nfs/dbraw/zinc/45/54/43/427455443.db2.gz XJEQGDPOKGUDBK-XYTVBORESA-N 2 0 321.509 2.534 20 0 DFADRP CN(CC[C@H]1CCCC[N@@H+]1C)[C@@H]1CCc2ccccc2NC1=O ZINC000192043438 427469661 /nfs/dbraw/zinc/46/96/61/427469661.db2.gz BHEAKQJYGKUUCR-SJLPKXTDSA-N 2 0 315.461 2.746 20 0 DFADRP C[C@@H]([NH3+])[C@H](C)C(=O)NCc1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000192094095 427479528 /nfs/dbraw/zinc/47/95/28/427479528.db2.gz PFMJNQKMGBDBDS-HRCADAONSA-N 2 0 317.477 2.518 20 0 DFADRP C[C@@H]1CCC[C@@H]([NH+]2CCC([NH2+][C@@H]3CCC(=O)NC3(C)C)CC2)C1 ZINC000338774905 427480357 /nfs/dbraw/zinc/48/03/57/427480357.db2.gz LQGZNRBLUHFJLB-DJIMGWMZSA-N 2 0 321.509 2.676 20 0 DFADRP C[C@@H](C(=O)NCc1cccc(C[NH+]2CCCCCC2)c1)[C@H](C)[NH3+] ZINC000192104299 427480656 /nfs/dbraw/zinc/48/06/56/427480656.db2.gz ZFVSAWITYFCZNF-CVEARBPZSA-N 2 0 317.477 2.662 20 0 DFADRP C[C@@H](C(=O)NCc1cccc(C[NH+]2CCC(C)CC2)c1)[C@H](C)[NH3+] ZINC000192104352 427480833 /nfs/dbraw/zinc/48/08/33/427480833.db2.gz VRBWDPIUNHAQSL-CVEARBPZSA-N 2 0 317.477 2.518 20 0 DFADRP Fc1cc([C@H]2OCC[C@H]2[NH2+]CCn2ccnc2)ccc1Cl ZINC000192105995 427480919 /nfs/dbraw/zinc/48/09/19/427480919.db2.gz NVXVPMJTBGAEAT-HUUCEWRRSA-N 2 0 309.772 2.795 20 0 DFADRP CC[C@H](O)C[NH2+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000293901326 427482850 /nfs/dbraw/zinc/48/28/50/427482850.db2.gz ZPUCCHXTVMXAMY-FCGDIQPGSA-N 2 0 302.462 2.648 20 0 DFADRP C[NH+](C)Cc1cccc(CNC(=O)CC2(C[NH3+])CCCCC2)c1 ZINC000184222058 427420896 /nfs/dbraw/zinc/42/08/96/427420896.db2.gz BHQCHZPKRCMHKS-UHFFFAOYSA-N 2 0 317.477 2.664 20 0 DFADRP C[C@@H]1C[C@@H]1c1ccc(C[NH2+]CCCC[N@@H+]2CCC[C@H]2CO)o1 ZINC000263164675 427426816 /nfs/dbraw/zinc/42/68/16/427426816.db2.gz PSLRVUXBDZFGFO-VYDXJSESSA-N 2 0 306.450 2.730 20 0 DFADRP C[N@@H+]1CCC[C@H]1CCN1CCN(c2cc[nH+]c3ccccc32)CC1 ZINC000297714269 427435875 /nfs/dbraw/zinc/43/58/75/427435875.db2.gz RFUAXUWWFSASGY-KRWDZBQOSA-N 2 0 324.472 2.841 20 0 DFADRP C[C@@H]1CCC[C@](CNC(=O)[C@H]2CCCC[C@@]2(C)[NH3+])([NH+](C)C)C1 ZINC000263222597 427440309 /nfs/dbraw/zinc/44/03/09/427440309.db2.gz MERHOHBUIKLJSL-AHCXZYCDSA-N 2 0 309.498 2.521 20 0 DFADRP C[C@@H]1CC[N@H+](C[C@@H](O)c2ccccc2F)C[C@@H]1n1ccnc1 ZINC000271196480 427443534 /nfs/dbraw/zinc/44/35/34/427443534.db2.gz DPJPOIYMZQVVLA-XOKHGSTOSA-N 2 0 303.381 2.639 20 0 DFADRP O[C@@H](CC[NH2+]C1CCN(c2cc[nH+]cc2)CC1)c1ccccc1 ZINC000298006784 427502765 /nfs/dbraw/zinc/50/27/65/427502765.db2.gz BRAORUAKMBWEIO-IBGZPJMESA-N 2 0 311.429 2.764 20 0 DFADRP C[C@@H]1CC[N@H+](C[C@@H](O)c2c(F)cccc2F)C[C@H]1n1ccnc1 ZINC000271353470 427507512 /nfs/dbraw/zinc/50/75/12/427507512.db2.gz YUJXBLMCKFXOAG-DAXOMENPSA-N 2 0 321.371 2.778 20 0 DFADRP C[C@H]([NH2+]CC(=O)NC[C@H](c1ccccc1)[NH+](C)C)C1CCCC1 ZINC000184687320 427517961 /nfs/dbraw/zinc/51/79/61/427517961.db2.gz IORBWWDVFIKCBP-MAUKXSAKSA-N 2 0 317.477 2.574 20 0 DFADRP C[C@@H]([NH2+]CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C)C1CCCC1 ZINC000184687298 427518195 /nfs/dbraw/zinc/51/81/95/427518195.db2.gz IORBWWDVFIKCBP-QAPCUYQASA-N 2 0 317.477 2.574 20 0 DFADRP C[N@H+](Cc1ccccc1)CC(C)(C)C[NH+]1CCC[C@@H](O)CC1 ZINC000294023097 427524754 /nfs/dbraw/zinc/52/47/54/427524754.db2.gz NPBCTEKJLYVNGO-GOSISDBHSA-N 2 0 304.478 2.991 20 0 DFADRP C[C@H](Cn1cccn1)[NH2+][C@@H](C)c1ccc(OCC[NH+](C)C)cc1 ZINC000271430163 427535003 /nfs/dbraw/zinc/53/50/03/427535003.db2.gz DJJZIPFJGSNUJK-CVEARBPZSA-N 2 0 316.449 2.563 20 0 DFADRP C[NH+]1CCC(Oc2ccc(C[NH2+][C@H]3CCOC3(C)C)cc2)CC1 ZINC000294088752 427544556 /nfs/dbraw/zinc/54/45/56/427544556.db2.gz IUPBSOGEFGKUBF-SFHVURJKSA-N 2 0 318.461 2.817 20 0 DFADRP OCC[C@@H]([NH2+]C1CCN(c2cc[nH+]cc2)CC1)c1ccccc1 ZINC000294093343 427546842 /nfs/dbraw/zinc/54/68/42/427546842.db2.gz BJMHTGOARCWETN-LJQANCHMSA-N 2 0 311.429 2.764 20 0 DFADRP C[N@@H+]1CCC[C@H]1CC[NH+]1CCC[C@@H]1Cn1cnc2ccccc21 ZINC000271458279 427546752 /nfs/dbraw/zinc/54/67/52/427546752.db2.gz YIWRVEGEHRQQGK-DLBZAZTESA-N 2 0 312.461 2.985 20 0 DFADRP [NH2+]=C(NCc1ccccc1C[NH+]1CCCC1)NC1CCCC1 ZINC000192513516 427554341 /nfs/dbraw/zinc/55/43/41/427554341.db2.gz AQZKFNQJJXWERT-UHFFFAOYSA-N 2 0 300.450 2.839 20 0 DFADRP COc1cccc(CC[NH2+]C2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000298313316 427566495 /nfs/dbraw/zinc/56/64/95/427566495.db2.gz HYAVLYIYUDNXOR-UHFFFAOYSA-N 2 0 311.429 2.891 20 0 DFADRP C[C@@H]1[C@@H](N[C@@H]2CC[NH+](C)[C@H](C)C2)CC[N@@H+]1Cc1ccccc1 ZINC000287299059 427571753 /nfs/dbraw/zinc/57/17/53/427571753.db2.gz KOARJPAHBXECBJ-RWQQGDIJSA-N 2 0 301.478 2.722 20 0 DFADRP CC[NH+]1CCN(CCC[NH2+][C@@H]2CCCNc3ccccc32)CC1 ZINC000192665578 427581745 /nfs/dbraw/zinc/58/17/45/427581745.db2.gz RIDJLFBTHBVPCV-LJQANCHMSA-N 2 0 316.493 2.551 20 0 DFADRP Cc1ccc(C[N@H+](C)C[C@@H]2CC[NH+](C)C2)c(-c2ccnn2C)c1 ZINC000338951001 427586152 /nfs/dbraw/zinc/58/61/52/427586152.db2.gz BVTVBXTUMINOAE-MRXNPFEDSA-N 2 0 312.461 2.779 20 0 DFADRP C[C@H]([NH2+]CC[C@@H]1CCCC[N@@H+]1C)c1ccc2c(c1)CC(=O)N2C ZINC000271826982 427589289 /nfs/dbraw/zinc/58/92/89/427589289.db2.gz OUXGGCPUQUOUSA-YOEHRIQHSA-N 2 0 315.461 2.731 20 0 DFADRP CC[NH+](CC)[C@@H](CNC1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1ccco1 ZINC000192774126 427607609 /nfs/dbraw/zinc/60/76/09/427607609.db2.gz GRZOPUGEGKDJLI-HMQMGEFJSA-N 2 0 305.466 2.877 20 0 DFADRP c1nn2ccccc2c1C[NH2+]C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000192928261 427635253 /nfs/dbraw/zinc/63/52/53/427635253.db2.gz LAWSXPSMKKPDFU-SFHVURJKSA-N 2 0 320.440 2.946 20 0 DFADRP C[C@@H]1CN(CCC[NH2+]Cc2cc(Cl)cs2)C[C@H](C)O1 ZINC000192989852 427645683 /nfs/dbraw/zinc/64/56/83/427645683.db2.gz DQGQIXGZKYMFSQ-TXEJJXNPSA-N 2 0 302.871 2.990 20 0 DFADRP C[NH+](C)CCN1CCC([NH2+]Cc2sccc2Cl)CC1 ZINC000192999622 427649923 /nfs/dbraw/zinc/64/99/23/427649923.db2.gz NMXPIYOOUQELCA-UHFFFAOYSA-N 2 0 301.887 2.517 20 0 DFADRP [NH3+][C@@H]1CCCC[C@H]1[NH2+]C1CCC2(CC1)c1ccccc1NC2=O ZINC000333607806 427657434 /nfs/dbraw/zinc/65/74/34/427657434.db2.gz RKUWFONPGHPWBN-SUUVNEMCSA-N 2 0 313.445 2.679 20 0 DFADRP COc1ccccc1C1(C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)CC1 ZINC000339068589 427657455 /nfs/dbraw/zinc/65/74/55/427657455.db2.gz RMIKZEVFRQBBKL-HOTGVXAUSA-N 2 0 300.446 2.943 20 0 DFADRP CCCC[N@H+](C)C[C@@H](C)NCc1nccn1CC(F)(F)F ZINC000342421639 272009449 /nfs/dbraw/zinc/00/94/49/272009449.db2.gz PLZXKHKZZLKXBD-GFCCVEGCSA-N 2 0 306.376 2.655 20 0 DFADRP C[C@@H]1CC[C@@H]([NH2+]Cc2ccncc2OCC[NH+](C)C)C[C@H]1C ZINC000342427326 272011253 /nfs/dbraw/zinc/01/12/53/272011253.db2.gz MILWBCBADRMQPV-BFYDXBDKSA-N 2 0 305.466 2.936 20 0 DFADRP CC[NH+]1CCC(CC[NH2+]Cc2cnc(C(C)(C)C)nc2)CC1 ZINC000342777857 272053074 /nfs/dbraw/zinc/05/30/74/272053074.db2.gz MTWVUZUEULQAOY-UHFFFAOYSA-N 2 0 304.482 2.986 20 0 DFADRP C[C@@H]1C[N@H+](C)C[C@H]1Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000342902703 272065164 /nfs/dbraw/zinc/06/51/64/272065164.db2.gz PFDIXGWKALXHFR-RHSMWYFYSA-N 2 0 305.491 2.597 20 0 DFADRP C[C@@H]1CN(C)C[C@H]1[NH2+]Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000343032764 272077320 /nfs/dbraw/zinc/07/73/20/272077320.db2.gz HOSKDARTSZJOEN-VQIMIIECSA-N 2 0 301.478 2.712 20 0 DFADRP CCN1C[C@@H](C)[C@@H]([NH2+]Cc2ccc(C[NH+]3CCCC3)cc2)C1 ZINC000343032835 272077459 /nfs/dbraw/zinc/07/74/59/272077459.db2.gz HVUSEOXCEOCTIT-APWZRJJASA-N 2 0 301.478 2.712 20 0 DFADRP CCC[N@H+](CC)Cc1ccc(C(=O)N2CC[C@@H]([C@@H](C)[NH3+])C2)cc1 ZINC000272207625 427671317 /nfs/dbraw/zinc/67/13/17/427671317.db2.gz HFRSGVFMJPITIO-CRAIPNDOSA-N 2 0 317.477 2.728 20 0 DFADRP CC[NH+]1CCN([C@@H](C)C[NH2+][C@H]2CCc3ccc(Cl)cc32)CC1 ZINC000343091147 272084472 /nfs/dbraw/zinc/08/44/72/272084472.db2.gz CJAAKKLZZGHNHT-KSSFIOAISA-N 2 0 321.896 2.943 20 0 DFADRP CC1CCC2(CC1)OC[C@@H](C[NH2+]C1C[C@H]3CC[C@@H](C1)[N@H+]3C)O2 ZINC000193108169 427666428 /nfs/dbraw/zinc/66/64/28/427666428.db2.gz ONPAXNLXLQIWTH-LMKVIPCFSA-N 2 0 308.466 2.523 20 0 DFADRP c1ccc([C@@H]2OCC[C@@H]2C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000343335248 272121055 /nfs/dbraw/zinc/12/10/55/272121055.db2.gz HWUKPECPGOSWPY-YRXWBPOGSA-N 2 0 300.446 2.981 20 0 DFADRP CC[NH+](CC)[C@H](C(=O)N[C@H]1CCC[N@H+](C)[C@H]1C)c1ccccc1 ZINC000343466147 272154194 /nfs/dbraw/zinc/15/41/94/272154194.db2.gz VGOYZCKEKLRNCI-SZMVWBNQSA-N 2 0 317.477 2.668 20 0 DFADRP COC(=O)c1occc1C[NH2+]CCCC[N@@H+]1CCCC[C@H]1C ZINC000343469291 272154756 /nfs/dbraw/zinc/15/47/56/272154756.db2.gz IWVXWBVAAYFUNI-CQSZACIVSA-N 2 0 308.422 2.810 20 0 DFADRP CC[N@H+](C)[C@H](C(=O)NC[C@H]1CCC[NH+](CC)C1)c1ccccc1 ZINC000343749856 272211517 /nfs/dbraw/zinc/21/15/17/272211517.db2.gz CLHIKGISAWNLAO-AEFFLSMTSA-N 2 0 317.477 2.528 20 0 DFADRP C[C@H](Cc1cnccn1)[NH2+][C@@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000343780634 272217319 /nfs/dbraw/zinc/21/73/19/272217319.db2.gz AHMSIBMOPSQNRX-JFIYKMOQSA-N 2 0 310.445 2.833 20 0 DFADRP C[NH+](C)CCOc1cnccc1C[NH2+][C@H]1CC[C@H]1C(C)(C)C ZINC000343982070 272246198 /nfs/dbraw/zinc/24/61/98/272246198.db2.gz KTBGUTXHEDQGCO-CVEARBPZSA-N 2 0 305.466 2.936 20 0 DFADRP C[C@@H](C(=O)NC[C@@]1([NH+](C)C)CCC[C@@H](C)C1)[NH+]1CCCCCC1 ZINC000344027207 272251656 /nfs/dbraw/zinc/25/16/56/272251656.db2.gz DOWXYDBREICHOR-ZIFCJYIRSA-N 2 0 323.525 2.878 20 0 DFADRP CO[C@@H]1[C@H](C)[C@H]([NH2+]CCCC[NH+]2C[C@@H](C)O[C@H](C)C2)C12CCC2 ZINC000344045747 272252480 /nfs/dbraw/zinc/25/24/80/272252480.db2.gz GSDDCPCHXPZHCS-HSFUPAIVSA-N 2 0 324.509 2.669 20 0 DFADRP c1ccc2c(c1)C[C@@H]2C[NH+]1CCC(OCC[NH+]2CCCC2)CC1 ZINC000287739345 427681410 /nfs/dbraw/zinc/68/14/10/427681410.db2.gz KZUQQVLFDTTZIW-GOSISDBHSA-N 2 0 314.473 2.903 20 0 DFADRP C[NH+](C)CCOc1cnccc1C[NH2+][C@@H]1CCC12CCCC2 ZINC000344082293 272258990 /nfs/dbraw/zinc/25/89/90/272258990.db2.gz OXLPUEDNEKKUBP-QGZVFWFLSA-N 2 0 303.450 2.834 20 0 DFADRP CC[NH+]1CCN(CCC[NH2+][C@@H]2CCCc3ccc(F)cc32)CC1 ZINC000344095569 272262277 /nfs/dbraw/zinc/26/22/77/272262277.db2.gz GNRHRFCZAOGTDZ-LJQANCHMSA-N 2 0 319.468 2.820 20 0 DFADRP C[NH+](C)CCOc1cnccc1C[NH2+][C@@H]1CCC[C@H]1C1CC1 ZINC000344106986 272265109 /nfs/dbraw/zinc/26/51/09/272265109.db2.gz UREJQYKVWZPOLP-DLBZAZTESA-N 2 0 303.450 2.690 20 0 DFADRP CCC[N@H+](CCN1CC[NH+](CC)CC1)Cc1ccc(F)cc1 ZINC000344121294 272267661 /nfs/dbraw/zinc/26/76/61/272267661.db2.gz DXRVCBCKBYTYKO-UHFFFAOYSA-N 2 0 307.457 2.675 20 0 DFADRP C[N@@H+]1CCC[C@@H]1CC[NH+]1CC[C@@](CO)(Cc2ccc(F)cc2)C1 ZINC000344171404 272280062 /nfs/dbraw/zinc/28/00/62/272280062.db2.gz RVTYITIDCQMCGX-RTBURBONSA-N 2 0 320.452 2.537 20 0 DFADRP CC[NH+](CC)CCC[C@H](C)NC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC000344177968 272280272 /nfs/dbraw/zinc/28/02/72/272280272.db2.gz UEQLLKCPJJISPN-IRXDYDNUSA-N 2 0 311.514 2.878 20 0 DFADRP COc1cc(F)c([C@@H](C)[NH2+]CC2=CC[N@H+](C)CC2)cc1OC ZINC000344290645 272305474 /nfs/dbraw/zinc/30/54/74/272305474.db2.gz CENOAIYNFXMTGX-GFCCVEGCSA-N 2 0 308.397 2.755 20 0 DFADRP CCCCO[C@@H]1C[C@H]([NH2+][C@H](C)CCN2CCOCC2)C1(C)C ZINC000344292507 272306180 /nfs/dbraw/zinc/30/61/80/272306180.db2.gz PIKPXWFTJXKQMZ-IXDOHACOSA-N 2 0 312.498 2.671 20 0 DFADRP CC(C)[NH+]1CCC(O)(C[NH2+]C2CCC3(CCOCC3)CC2)CC1 ZINC000344680651 272356485 /nfs/dbraw/zinc/35/64/85/272356485.db2.gz ZIEBIGKLUWKFAA-UHFFFAOYSA-N 2 0 324.509 2.551 20 0 DFADRP C[C@@H]1C[C@H](N[C@H]2CC[NH+](C)[C@@H](C)C2)C[N@H+](Cc2ccccc2)C1 ZINC000344775291 272366712 /nfs/dbraw/zinc/36/67/12/272366712.db2.gz WAQLHRYMFHYBRR-UMGGQSCQSA-N 2 0 315.505 2.969 20 0 DFADRP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccc(C(N)=O)cc1 ZINC000344814272 272373437 /nfs/dbraw/zinc/37/34/37/272373437.db2.gz JJKMMHDVCONLSF-ROUUACIJSA-N 2 0 317.477 2.776 20 0 DFADRP C[C@@H](CCN1CC[NH+](C)CC1)[NH2+]Cc1ccc(Cl)s1 ZINC000185874687 427722224 /nfs/dbraw/zinc/72/22/24/427722224.db2.gz WJVMUDNLDKOWFE-LBPRGKRZSA-N 2 0 301.887 2.517 20 0 DFADRP CC(C)Oc1cccc(C[NH2+][C@H](C)CCN2CC[NH+](C)CC2)c1 ZINC000185872185 427722867 /nfs/dbraw/zinc/72/28/67/427722867.db2.gz AQTUCXOTRPBHAF-QGZVFWFLSA-N 2 0 319.493 2.589 20 0 DFADRP CC[N@@H+]1CC[C@H](C[NH2+][C@H]2CCC[C@@H](CCCC(=O)OC)C2)C1 ZINC000339188435 427723149 /nfs/dbraw/zinc/72/31/49/427723149.db2.gz DFYMTFHMJHLKMM-BBWFWOEESA-N 2 0 310.482 2.820 20 0 DFADRP CCC[N@H+](C)C[C@@H]1CCN(Cc2c(C)cc(C)nc2OC)C1 ZINC000287773332 427689719 /nfs/dbraw/zinc/68/97/19/427689719.db2.gz NAKOFTAPTRHBSE-INIZCTEOSA-N 2 0 305.466 2.871 20 0 DFADRP C[NH+](C)CCC[NH2+][C@@H]1CCc2cccc(Br)c2C1 ZINC000339170180 427715595 /nfs/dbraw/zinc/71/55/95/427715595.db2.gz IVCKIVQLRAVDDI-CYBMUJFWSA-N 2 0 311.267 2.848 20 0 DFADRP Cc1cc(N2CC[NH+](CCc3cccs3)CC2)nc(C)n1 ZINC000299157048 427757438 /nfs/dbraw/zinc/75/74/38/427757438.db2.gz PCBCNRHHHNEOKM-UHFFFAOYSA-N 2 0 302.447 2.520 20 0 DFADRP CC(C)(C)[NH+]1CCC([NH2+][C@H]2CCO[C@H](C(F)(F)F)C2)CC1 ZINC000336847911 427757721 /nfs/dbraw/zinc/75/77/21/427757721.db2.gz GVIDYMAFMJFNJA-STQMWFEESA-N 2 0 308.388 2.949 20 0 DFADRP C[C@H]1CC[C@@H](CC(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)C1 ZINC000345300498 272449347 /nfs/dbraw/zinc/44/93/47/272449347.db2.gz XKTGGCMXPXIOSR-DLBZAZTESA-N 2 0 311.514 2.545 20 0 DFADRP Cc1cc(Cl)cc(C[NH2+][C@H](C)CCN2CC[NH+](C)CC2)c1 ZINC000339362085 427760331 /nfs/dbraw/zinc/76/03/31/427760331.db2.gz ROOZHEQYAZHSDM-OAHLLOKOSA-N 2 0 309.885 2.764 20 0 DFADRP Cc1nccn1CCCC[NH+]1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC000336854738 427761032 /nfs/dbraw/zinc/76/10/32/427761032.db2.gz FXYIKQVZPOFKCT-GOSISDBHSA-N 2 0 304.482 2.635 20 0 DFADRP CC[C@@H](C)[N@H+](C)CCNC(=O)[C@H](CC)[NH+](C)Cc1ccccc1 ZINC000339418235 427771077 /nfs/dbraw/zinc/77/10/77/427771077.db2.gz BNTRPGLJHYDFSC-AEFFLSMTSA-N 2 0 319.493 2.744 20 0 DFADRP O[C@@H](C[NH2+]C1CCC2(CC2)CC1)CN1CCc2ccccc2C1 ZINC000339545717 427791183 /nfs/dbraw/zinc/79/11/83/427791183.db2.gz RRFXYLFAIUSLPM-IBGZPJMESA-N 2 0 314.473 2.718 20 0 DFADRP c1ccc(C[N@H+]2C[C@H](C[NH2+]CC3CC3)C3(C2)CCOCC3)cc1 ZINC000339487474 427782917 /nfs/dbraw/zinc/78/29/17/427782917.db2.gz HIRKHMITDTYORB-IBGZPJMESA-N 2 0 314.473 2.915 20 0 DFADRP C[S@](=O)c1ccc(C[NH2+]CCCCC[NH+]2CCCC2)cc1 ZINC000339508378 427785786 /nfs/dbraw/zinc/78/57/86/427785786.db2.gz VAZPMNVJJLBADU-NRFANRHFSA-N 2 0 308.491 2.780 20 0 DFADRP Cc1nocc1C[NH2+]Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000339250985 427742122 /nfs/dbraw/zinc/74/21/22/427742122.db2.gz PUPYRHFXBNYGFG-UHFFFAOYSA-N 2 0 315.417 2.747 20 0 DFADRP C[C@H]([NH2+][C@@H]1CCN(C2CC2)C1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000336656327 427745455 /nfs/dbraw/zinc/74/54/55/427745455.db2.gz MAAGTHUAWMUGNF-YTQUADARSA-N 2 0 313.489 2.723 20 0 DFADRP c1ccc(C[NH+]2CC[C@H]3C[N@@H+](CCOCC4CC4)C[C@@H]3C2)cc1 ZINC000336713815 427748748 /nfs/dbraw/zinc/74/87/48/427748748.db2.gz NRZVKIUZBOWVJX-PMACEKPBSA-N 2 0 314.473 2.867 20 0 DFADRP c1ccc(C[NH+]2CC[C@@H]3C[N@@H+](C[C@H]4CCCOC4)C[C@H]3C2)cc1 ZINC000336713543 427748987 /nfs/dbraw/zinc/74/89/87/427748987.db2.gz NCESFFQVACBYLY-VAMGGRTRSA-N 2 0 314.473 2.867 20 0 DFADRP [NH3+]C[C@H](Cc1ccccc1)[C@H]1CCCC[N@@H+]1CC1CC[NH2+]CC1 ZINC000337033754 427790633 /nfs/dbraw/zinc/79/06/33/427790633.db2.gz HGWJYBKADCARLZ-VQTJNVASSA-N 2 0 315.505 2.658 20 0 DFADRP Cc1cc(Cl)cc(C[NH2+]CC2(O)CC[NH+](C(C)C)CC2)c1 ZINC000339296221 427753318 /nfs/dbraw/zinc/75/33/18/427753318.db2.gz BBBFHUOAQQMNIQ-UHFFFAOYSA-N 2 0 310.869 2.973 20 0 DFADRP CCCC[N@H+](C)CC1CC[NH+](Cc2cnc(OC)nc2C)CC1 ZINC000337128013 427802411 /nfs/dbraw/zinc/80/24/11/427802411.db2.gz HGMRDMAZDJYJIV-UHFFFAOYSA-N 2 0 320.481 2.738 20 0 DFADRP Cc1noc(C)c1CC[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000339657272 427808383 /nfs/dbraw/zinc/80/83/83/427808383.db2.gz DIPYBOFJMTWNGY-YJBOKZPZSA-N 2 0 303.450 2.783 20 0 DFADRP CCc1cc(N2CC[N@H+](C[C@H](C)O)[C@@H](C)C2)c2ccccc2[nH+]1 ZINC000301802687 427825325 /nfs/dbraw/zinc/82/53/25/427825325.db2.gz UAKOTIYPPOLMQP-GJZGRUSLSA-N 2 0 313.445 2.689 20 0 DFADRP C[C@H]1CN(c2ccc(CNc3nc4ccccc4[nH]3)cn2)CCO1 ZINC000301882418 427833334 /nfs/dbraw/zinc/83/33/34/427833334.db2.gz MRGFKNLYRAZJER-ZDUSSCGKSA-N 2 0 323.400 2.795 20 0 DFADRP Cc1cc([C@H](C)[NH2+]CCCN2CC[NH+](C(C)C)CC2)c(C)o1 ZINC000337318454 427840953 /nfs/dbraw/zinc/84/09/53/427840953.db2.gz MQUOVDHCOXFDIV-INIZCTEOSA-N 2 0 307.482 2.963 20 0 DFADRP Cc1ncc(C[NH2+]CC2CC[NH+](Cc3cccs3)CC2)cn1 ZINC000340422870 427845364 /nfs/dbraw/zinc/84/53/64/427845364.db2.gz XUHNUVQTACYWMQ-UHFFFAOYSA-N 2 0 316.474 2.848 20 0 DFADRP COc1cc(C)nc(C[NH+]2CCC(C[NH+]3CCCC3)CC2)c1 ZINC000339845145 427848639 /nfs/dbraw/zinc/84/86/39/427848639.db2.gz XKIVJABDCUOMIQ-UHFFFAOYSA-N 2 0 303.450 2.706 20 0 DFADRP O[C@H](C[NH2+][C@@H]1CCC[C@H](c2cccnc2)C1)C[NH+]1CCCCC1 ZINC000337330024 427848773 /nfs/dbraw/zinc/84/87/73/427848773.db2.gz GCAIVMJUYCWMPF-QXAKKESOSA-N 2 0 317.477 2.544 20 0 DFADRP CC[C@H]1CN(c2nc(C)cc3ccccc32)CC[N@@H+]1C[C@@H](C)O ZINC000302041578 427848893 /nfs/dbraw/zinc/84/88/93/427848893.db2.gz LPPFXVVWGHZTOD-WBVHZDCISA-N 2 0 313.445 2.825 20 0 DFADRP CC[NH+](CC)CCOCC[NH2+][C@H](C)c1nc2ccccc2n1C ZINC000349722751 427850163 /nfs/dbraw/zinc/85/01/63/427850163.db2.gz PIECNQYUMRRBMG-OAHLLOKOSA-N 2 0 318.465 2.582 20 0 DFADRP COCC[N@H+](C)CCCNc1cc[nH+]c2cc(F)c(OC)cc12 ZINC000359449506 427855762 /nfs/dbraw/zinc/85/57/62/427855762.db2.gz PXHAPGMPXOXOIG-UHFFFAOYSA-N 2 0 321.396 2.763 20 0 DFADRP CC(C)[NH+]1CCN(CCC[N@@H+]2CC[C@H](CC(F)(F)F)C2)CC1 ZINC000337353550 427860799 /nfs/dbraw/zinc/86/07/99/427860799.db2.gz AIHPSYVAIMWABY-OAHLLOKOSA-N 2 0 321.431 2.677 20 0 DFADRP FC(F)Oc1ccc(CN2C[C@H]3C[NH2+]C[C@H]3C2)cc1Cl ZINC000359475328 427867416 /nfs/dbraw/zinc/86/74/16/427867416.db2.gz RIMYTZZYRNLUTJ-PHIMTYICSA-N 2 0 302.752 2.593 20 0 DFADRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+]C/C=C/c1ccc(F)cc1F ZINC000349833077 427875640 /nfs/dbraw/zinc/87/56/40/427875640.db2.gz YPGFNOWTLFWMKH-NHZBNJEXSA-N 2 0 323.431 2.594 20 0 DFADRP CC[NH+](CC)[C@@H](C)CNC(=O)[C@@H](c1ccccc1)[N@@H+](C)CC ZINC000340590919 427893775 /nfs/dbraw/zinc/89/37/75/427893775.db2.gz QCYSZOXUMITPLW-DOTOQJQBSA-N 2 0 305.466 2.526 20 0 DFADRP CC(C)C[C@@H](C[NH+](C)C)NC(=O)[C@H](C)[N@H+](C)Cc1ccccc1 ZINC000345808565 427915067 /nfs/dbraw/zinc/91/50/67/427915067.db2.gz RHEFKGHYQQYUAU-WMZOPIPTSA-N 2 0 319.493 2.599 20 0 DFADRP CC[C@@H](C(=O)N(C)CC[N@H+](C)C1CCCCC1)[NH+](CC)CC ZINC000345817297 427917980 /nfs/dbraw/zinc/91/79/80/427917980.db2.gz XRSXZZPMSLHDKU-KRWDZBQOSA-N 2 0 311.514 2.830 20 0 DFADRP C[C@@H]1CCC[N@H+](CCCCNC(=O)[C@H]2CCCC[C@]2(C)[NH3+])C1 ZINC000345823307 427920136 /nfs/dbraw/zinc/92/01/36/427920136.db2.gz VFFPZMCHLBEOHP-NUJGCVRESA-N 2 0 309.498 2.522 20 0 DFADRP CC(C)[NH+]1CCN(CCC[N@@H+]2CC[C@H](C(F)(F)F)[C@H]2C)CC1 ZINC000337469174 427920571 /nfs/dbraw/zinc/92/05/71/427920571.db2.gz OPIRZWUTSFKONL-CABCVRRESA-N 2 0 321.431 2.675 20 0 DFADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+][C@H](C)CCCC(F)(F)F)CC1 ZINC000359659773 427960087 /nfs/dbraw/zinc/96/00/87/427960087.db2.gz AQIORGSSABAHOW-LSDHHAIUSA-N 2 0 323.447 2.971 20 0 DFADRP CC[NH+]1CCN(CCC[NH2+][C@H](C)CCCC(F)(F)F)CC1 ZINC000359670249 427965429 /nfs/dbraw/zinc/96/54/29/427965429.db2.gz DJAFNAYNNFUNJH-CQSZACIVSA-N 2 0 309.420 2.725 20 0 DFADRP CCCN(CC[NH+]1CCCC1)C(=O)CC[C@H]1CCCC[N@@H+]1C ZINC000359667054 427965600 /nfs/dbraw/zinc/96/56/00/427965600.db2.gz SHSXDPLVNBCVIR-QGZVFWFLSA-N 2 0 309.498 2.585 20 0 DFADRP CC(C)[NH+]1CCC(NC[C@@H]2CC[N@H+](C)[C@H]2c2cccnc2)CC1 ZINC000376692366 427979357 /nfs/dbraw/zinc/97/93/57/427979357.db2.gz XPAGMVCHJFIBMN-HKUYNNGSSA-N 2 0 316.493 2.537 20 0 DFADRP Cc1cnc(CNC[C@@H](c2ccc(C)cc2)[NH+]2CCCC2)n1C ZINC000341055572 427985559 /nfs/dbraw/zinc/98/55/59/427985559.db2.gz XOCKGHDBOXOAKD-SFHVURJKSA-N 2 0 312.461 2.964 20 0 DFADRP C[NH+]1CCC(Oc2ccc(C[NH2+]CC3=CCCOC3)cc2)CC1 ZINC000376727799 427988604 /nfs/dbraw/zinc/98/86/04/427988604.db2.gz GPJFQJPMBFOLKS-UHFFFAOYSA-N 2 0 316.445 2.596 20 0 DFADRP CCNC(=O)C(C)(C)C[NH2+][C@@H]1CCN(C)[C@H](c2ccccc2)C1 ZINC000340335208 427989369 /nfs/dbraw/zinc/98/93/69/427989369.db2.gz VGWJCPMOUZSAAO-SJORKVTESA-N 2 0 317.477 2.574 20 0 DFADRP C[N@H+](CCCO)C1CC[NH+](C[C@@H]2CCc3ccccc3C2)CC1 ZINC000359612348 427936924 /nfs/dbraw/zinc/93/69/24/427936924.db2.gz REMXHGYAXVKQEM-QGZVFWFLSA-N 2 0 316.489 2.570 20 0 DFADRP CC[N@@H+]1C[C@H](C)N(C(=O)Nc2cccc(C[NH+](C)C)c2)C[C@@H]1C ZINC000345874541 427937479 /nfs/dbraw/zinc/93/74/79/427937479.db2.gz LFKOWTCGGONKIH-GJZGRUSLSA-N 2 0 318.465 2.695 20 0 DFADRP CC(C)N(CC[NH+]1CCCCCC1)C(=O)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000345889060 427941539 /nfs/dbraw/zinc/94/15/39/427941539.db2.gz QCKRLAMUXOQAKI-MSOLQXFVSA-N 2 0 323.525 2.830 20 0 DFADRP CC[N@H+](CCC1CC[NH+](Cc2cnn(C)c2)CC1)CC1CC1 ZINC000355901335 427941798 /nfs/dbraw/zinc/94/17/98/427941798.db2.gz MCTKNVJSUXFGOT-UHFFFAOYSA-N 2 0 304.482 2.754 20 0 DFADRP CCc1cc(OC)ccc1C[NH+]1CCC(OCC[NH+](C)C)CC1 ZINC000337545477 427952942 /nfs/dbraw/zinc/95/29/42/427952942.db2.gz LGFFQNHJNUJCQA-UHFFFAOYSA-N 2 0 320.477 2.800 20 0 DFADRP CN(Cc1noc(-c2ccccc2)n1)C[C@@H]1CCc2nccn2C1 ZINC000369640443 428023341 /nfs/dbraw/zinc/02/33/41/428023341.db2.gz RYRKXLLYPSIHMJ-AWEZNQCLSA-N 2 0 323.400 2.628 20 0 DFADRP C[C@H](C[C@H](C)O)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000341332935 428035541 /nfs/dbraw/zinc/03/55/41/428035541.db2.gz XSRTWAQJFREQBA-NFWHEIDTSA-N 2 0 302.462 2.931 20 0 DFADRP CC[N@@H+]1CC[C@H]([NH+](C)CCc2ccccc2C(=O)OC)C[C@@H]1C ZINC000359888656 428062207 /nfs/dbraw/zinc/06/22/07/428062207.db2.gz UWFDVFLYKQKLQG-RDJZCZTQSA-N 2 0 318.461 2.820 20 0 DFADRP CC[C@H]1C[N@H+](CCCCn2ccnc2C)C[C@]2(CCCOC2)O1 ZINC000369714881 428041385 /nfs/dbraw/zinc/04/13/85/428041385.db2.gz MOOXGVWEQKKGTF-ROUUACIJSA-N 2 0 321.465 2.632 20 0 DFADRP C[C@@H]1C[N@@H+]2CCCC[C@H]2CN1CC[NH+](C)Cc1ccc(F)cc1 ZINC000359850522 428047097 /nfs/dbraw/zinc/04/70/97/428047097.db2.gz AUHNPRRQXGMPGH-APWZRJJASA-N 2 0 319.468 2.816 20 0 DFADRP CC(C)[NH+](CCN(C)C(=O)[C@@H](C)[NH+]1CCCCCC1)C(C)C ZINC000356177641 428054555 /nfs/dbraw/zinc/05/45/55/428054555.db2.gz PEKPEKSIESOSHH-QGZVFWFLSA-N 2 0 311.514 2.828 20 0 DFADRP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+](C[C@H]1CCOC1)C1CC1 ZINC000346187620 428059952 /nfs/dbraw/zinc/05/99/52/428059952.db2.gz XCLABVLHMLKHCT-OAHLLOKOSA-N 2 0 312.417 2.577 20 0 DFADRP CC[C@@H](C(=O)N(CC[NH+](C)C)C1CCCCC1)[NH+](CC)CC ZINC000359780447 428015819 /nfs/dbraw/zinc/01/58/19/428015819.db2.gz BOBGBBFASIHYPX-KRWDZBQOSA-N 2 0 311.514 2.830 20 0 DFADRP CC(C)[NH+]1CCC([NH2+][C@@H]2CCc3nc(C(C)(C)C)cn3C2)CC1 ZINC000341476363 428080561 /nfs/dbraw/zinc/08/05/61/428080561.db2.gz KTDZHJLDDXCKCK-MRXNPFEDSA-N 2 0 318.509 2.958 20 0 DFADRP CC[NH+]1CCN([C@H](C)C[NH2+][C@H]2c3cc(F)ccc3C[C@H]2C)CC1 ZINC000359951077 428089848 /nfs/dbraw/zinc/08/98/48/428089848.db2.gz XOKNDSBEFHNYDH-SPYBWZPUSA-N 2 0 319.468 2.675 20 0 DFADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@H](C)[C@@H](c1ccccc1)[NH+](C)C ZINC000356287113 428105998 /nfs/dbraw/zinc/10/59/98/428105998.db2.gz SRJGZAFWISWCBH-NXHRZFHOSA-N 2 0 317.477 2.668 20 0 DFADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@H](C)[C@H](c1ccccc1)[NH+](C)C ZINC000356286538 428106333 /nfs/dbraw/zinc/10/63/33/428106333.db2.gz SRJGZAFWISWCBH-KBAYOESNSA-N 2 0 317.477 2.668 20 0 DFADRP c1ccc(C[N@H+]2CCC[C@@H](C[NH2+]CC3=CCCOC3)C2)cc1 ZINC000359991333 428107544 /nfs/dbraw/zinc/10/75/44/428107544.db2.gz DHIKHBAJFAZJDS-SFHVURJKSA-N 2 0 300.446 2.835 20 0 DFADRP C[N@H+](CCCNC(=O)[C@@H]1CCCn2ccnc21)C1CCCCC1 ZINC000370015138 428110348 /nfs/dbraw/zinc/11/03/48/428110348.db2.gz BVTPOXAJJHHDJT-MRXNPFEDSA-N 2 0 318.465 2.531 20 0 DFADRP C[NH+](C)Cc1cccc(NC(=O)[C@H]2C[C@@H]3CCCC[N@@H+]3C2)c1 ZINC000370017838 428110720 /nfs/dbraw/zinc/11/07/20/428110720.db2.gz KYNJIHCJTCYRAH-RDJZCZTQSA-N 2 0 301.434 2.561 20 0 DFADRP C[C@@H]([NH3+])[C@@H]1CC[N@H+](Cc2ccc(OCC(F)(F)F)cc2)C1 ZINC000351853928 428112172 /nfs/dbraw/zinc/11/21/72/428112172.db2.gz PRKPBSFVDZVJOD-DGCLKSJQSA-N 2 0 302.340 2.797 20 0 DFADRP C[C@H]([NH3+])[C@H]1CC[N@H+](Cc2ccc(OCc3ccncc3)cc2)C1 ZINC000351859268 428113134 /nfs/dbraw/zinc/11/31/34/428113134.db2.gz GEDKBYKBFLLWJK-YJBOKZPZSA-N 2 0 311.429 2.830 20 0 DFADRP C[N@H+](CCCNC(=O)[C@H]1C[C@H]2CCCC[NH+]2C1)C1CCCCC1 ZINC000370023028 428113327 /nfs/dbraw/zinc/11/33/27/428113327.db2.gz YTDMWCLNWHDHPW-FUHWJXTLSA-N 2 0 321.509 2.632 20 0 DFADRP C[C@@H]([NH3+])[C@@H]1CC[N@H+](Cc2ccccc2OCC(F)(F)F)C1 ZINC000351861453 428113659 /nfs/dbraw/zinc/11/36/59/428113659.db2.gz LKXWPFNOORETEK-VXGBXAGGSA-N 2 0 302.340 2.797 20 0 DFADRP C[C@@H]([NH3+])[C@H]1CC[N@H+](Cc2ccccc2OCC(F)(F)F)C1 ZINC000351861447 428114305 /nfs/dbraw/zinc/11/43/05/428114305.db2.gz LKXWPFNOORETEK-NEPJUHHUSA-N 2 0 302.340 2.797 20 0 DFADRP CCN1CCC[C@@H]1C[NH2+][C@@H]1CCN(C(C)=O)Cc2ccccc21 ZINC000360023331 428119574 /nfs/dbraw/zinc/11/95/74/428119574.db2.gz YTTSEXPVZSNEGY-IEBWSBKVSA-N 2 0 315.461 2.554 20 0 DFADRP COC1(C)CC[NH+](Cc2cn(-c3cc[nH+]cc3)nc2C)CC1 ZINC000346347819 428136551 /nfs/dbraw/zinc/13/65/51/428136551.db2.gz IGKAXQFVSRQUMZ-UHFFFAOYSA-N 2 0 300.406 2.577 20 0 DFADRP CCC[NH+](CCC)CCCC(=O)N(C)C[C@H]1CCC[N@H+](C)C1 ZINC000360077137 428148689 /nfs/dbraw/zinc/14/86/89/428148689.db2.gz XVILTEOMQWFNFJ-KRWDZBQOSA-N 2 0 311.514 2.689 20 0 DFADRP C[C@H](c1cccnc1)[NH+]1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000356453415 428184741 /nfs/dbraw/zinc/18/47/41/428184741.db2.gz JTBVHHOCXNPTQE-QGZVFWFLSA-N 2 0 317.477 2.967 20 0 DFADRP C[C@H](C[NH+]1CCCCCC1)NC(=O)CC[C@H]1CCCC[N@@H+]1C ZINC000356434519 428177230 /nfs/dbraw/zinc/17/72/30/428177230.db2.gz NZRAYBSIMOOPSB-IAGOWNOFSA-N 2 0 309.498 2.632 20 0 DFADRP COc1ccc([C@@H](C)[NH2+][C@H](C)CCN2CCOCC2)c(C)c1 ZINC000414106337 428207660 /nfs/dbraw/zinc/20/76/60/428207660.db2.gz XKEQPMVMAMEHJT-HZPDHXFCSA-N 2 0 306.450 2.765 20 0 DFADRP C[C@H]([NH2+]Cc1ccccc1C[N@@H+]1CCC[C@H]1CO)[C@H]1C[C@H]1C ZINC000414110813 428208511 /nfs/dbraw/zinc/20/85/11/428208511.db2.gz ORJICROOVAIBDW-PDWMJMLSSA-N 2 0 302.462 2.777 20 0 DFADRP C[C@@H]([NH2+]Cc1ccc(C[NH+]2CCC(O)CC2)cc1)[C@@H]1C[C@H]1C ZINC000414114525 428211255 /nfs/dbraw/zinc/21/12/55/428211255.db2.gz LXCNNRRBKQUQGC-SPYBWZPUSA-N 2 0 302.462 2.777 20 0 DFADRP C[NH+](C)[C@H](CNc1cc[nH+]cc1-c1cccnc1)c1ccco1 ZINC000370468466 428216300 /nfs/dbraw/zinc/21/63/00/428216300.db2.gz LIQCCQCSEXMIPV-QGZVFWFLSA-N 2 0 308.385 2.873 20 0 DFADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+][C@H]2C[C@@H](OC(C)C)C2)[C@@H](C)C1 ZINC000414144361 428216681 /nfs/dbraw/zinc/21/66/81/428216681.db2.gz MPGJFCQUEKITHQ-WNRNVDISSA-N 2 0 312.498 2.669 20 0 DFADRP C[C@@H]1C[C@@H](C[NH+]2CCC(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)CCO1 ZINC000352713392 428216662 /nfs/dbraw/zinc/21/66/62/428216662.db2.gz DDRCBIPJYQQRNI-VXNCWWDNSA-N 2 0 324.509 2.623 20 0 DFADRP CC[NH+](CC)CCC[C@H](C)[NH2+]Cc1ccc2c(c1)oc(=O)n2C ZINC000352750365 428230817 /nfs/dbraw/zinc/23/08/17/428230817.db2.gz QGIQTPNWHCTQDE-AWEZNQCLSA-N 2 0 319.449 2.732 20 0 DFADRP Cc1cc([C@H](C)[NH2+]CC2(N3CCCCC3)CC[NH+](C)CC2)no1 ZINC000377807389 428233700 /nfs/dbraw/zinc/23/37/00/428233700.db2.gz QLMDYUGLQYOLQT-INIZCTEOSA-N 2 0 320.481 2.584 20 0 DFADRP C[C@@H]1CCN(C(=O)Nc2ccn3ccnc3c2)C[C@H]1n1ccnc1 ZINC000377820660 428236474 /nfs/dbraw/zinc/23/64/74/428236474.db2.gz GRRRYYNZMXZBSQ-UKRRQHHQSA-N 2 0 324.388 2.646 20 0 DFADRP CN1CCC(CNC(=O)C2(C)CCCC2)([NH+]2CCCCC2)CC1 ZINC000377819317 428236744 /nfs/dbraw/zinc/23/67/44/428236744.db2.gz SDVZTLJKGNWHDP-UHFFFAOYSA-N 2 0 321.509 2.633 20 0 DFADRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H]2CS[C@H](C)C2)[C@@H](C)C1 ZINC000414230405 428237886 /nfs/dbraw/zinc/23/78/86/428237886.db2.gz NXAYREFTAUVLKZ-FZKCQIBNSA-N 2 0 300.512 2.607 20 0 DFADRP CN1CC[C@H]([NH2+]CC[C@H]2CCC[N@@H+]2C)[C@H]1c1ccc(F)cc1 ZINC000377667710 428187931 /nfs/dbraw/zinc/18/79/31/428187931.db2.gz DOTHTAAMCWFKMA-FGTMMUONSA-N 2 0 305.441 2.645 20 0 DFADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCc1cnccn1 ZINC000370366163 428193601 /nfs/dbraw/zinc/19/36/01/428193601.db2.gz OJOGKOMTOLJHAU-APWZRJJASA-N 2 0 310.445 2.519 20 0 DFADRP CCC[NH+]1CCC(C[NH2+][C@H](C)Cc2ccc(OC)nc2)CC1 ZINC000414060927 428194438 /nfs/dbraw/zinc/19/44/38/428194438.db2.gz AIQHHURPIDZKCE-OAHLLOKOSA-N 2 0 305.466 2.733 20 0 DFADRP C[C@H]([NH2+]CCCN1CC[N@H+](C)C[C@H]1c1ccccc1)[C@H]1C[C@H]1C ZINC000414066942 428195318 /nfs/dbraw/zinc/19/53/18/428195318.db2.gz PVMAYNLZMHXKCJ-UMGGQSCQSA-N 2 0 315.505 2.999 20 0 DFADRP CC[C@H]([NH2+]Cc1cccc(C(=O)NCC[NH+](C)C)c1)[C@H]1C[C@H]1C ZINC000414085398 428203486 /nfs/dbraw/zinc/20/34/86/428203486.db2.gz YLOKTYSHPNYGMS-JLSDUUJJSA-N 2 0 317.477 2.502 20 0 DFADRP Cc1[nH+]c2c(n1[C@@H]1CCN(CC[NH+]3CCCCC3)C1)CCCC2 ZINC000346523797 428203906 /nfs/dbraw/zinc/20/39/06/428203906.db2.gz FQDTZFFJMFIRHY-QGZVFWFLSA-N 2 0 316.493 2.803 20 0 DFADRP CSc1cc2c(cc1CN(C)CC(C)(C)C[NH3+])OCCO2 ZINC000346671511 428265055 /nfs/dbraw/zinc/26/50/55/428265055.db2.gz JWBHLMARPKCZJN-UHFFFAOYSA-N 2 0 310.463 2.596 20 0 DFADRP CC[N@@H+]1CC[C@H](NC2CC[NH+](CCc3ccc(F)cc3)CC2)C1 ZINC000414351941 428266822 /nfs/dbraw/zinc/26/68/22/428266822.db2.gz WHMVMHRYJBRSKE-IBGZPJMESA-N 2 0 319.468 2.516 20 0 DFADRP [NH3+]CCCOC1CC[NH+](Cc2ccccc2OCC2CC2)CC1 ZINC000346682595 428270198 /nfs/dbraw/zinc/27/01/98/428270198.db2.gz ODXXOGDHYLOYQX-UHFFFAOYSA-N 2 0 318.461 2.805 20 0 DFADRP C[C@H]([NH2+]CCc1ccc(OCC[NH+](C)C)cc1)c1cccnc1 ZINC000356692039 428275277 /nfs/dbraw/zinc/27/52/77/428275277.db2.gz HCCKAXAXRJTBNP-INIZCTEOSA-N 2 0 313.445 2.915 20 0 DFADRP CC[NH+]1CCN(C[C@H](C)C[NH2+]C[C@H]2CC(C)=C[C@@H](C)C2)CC1 ZINC000352836666 428275199 /nfs/dbraw/zinc/27/51/99/428275199.db2.gz WFSNHLZBXIXMJY-BHIYHBOVSA-N 2 0 307.526 2.842 20 0 DFADRP Cc1ccccc1[C@H](C)[NH+]1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000370732878 428285998 /nfs/dbraw/zinc/28/59/98/428285998.db2.gz SJHLHRKJLSHNRW-ROUUACIJSA-N 2 0 301.478 2.768 20 0 DFADRP CC[NH+](CC)[C@@H](C(=O)N[C@H](C)C[N@H+](C)C(C)C)c1ccccc1 ZINC000356742774 428290624 /nfs/dbraw/zinc/29/06/24/428290624.db2.gz NGRYGCSJXMJYDF-SJLPKXTDSA-N 2 0 319.493 2.914 20 0 DFADRP c1ccc(C[N@H+]2CC[C@H](N3CC[NH+](CCC4CC4)CC3)C2)cc1 ZINC000352881492 428292779 /nfs/dbraw/zinc/29/27/79/428292779.db2.gz ZRTNRKDOFYEDJG-FQEVSTJZSA-N 2 0 313.489 2.679 20 0 DFADRP CC1CCC([NH+]2CCC(NC(=O)CC3CC[NH2+]CC3)CC2)CC1 ZINC000370763473 428294397 /nfs/dbraw/zinc/29/43/97/428294397.db2.gz LOEOCZHNTXSTHF-UHFFFAOYSA-N 2 0 321.509 2.535 20 0 DFADRP FC(F)(F)CCN1CCC([NH2+][C@H]2CCCc3cn[nH]c32)CC1 ZINC000360437122 428295801 /nfs/dbraw/zinc/29/58/01/428295801.db2.gz OURWARYHPMODIW-ZDUSSCGKSA-N 2 0 316.371 2.794 20 0 DFADRP C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2ccc(-c3cc[nH]n3)o2)C1 ZINC000377840948 428242650 /nfs/dbraw/zinc/24/26/50/428242650.db2.gz XGZADXOOJIMOGX-BBRMVZONSA-N 2 0 300.406 2.586 20 0 DFADRP C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@H]1[NH2+]CCc1cccs1 ZINC000370577412 428243471 /nfs/dbraw/zinc/24/34/71/428243471.db2.gz GFJAXHQAUSWJJV-HLLBOEOZSA-N 2 0 308.491 2.770 20 0 DFADRP Cc1nocc1C[N@H+](C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000352890062 428297782 /nfs/dbraw/zinc/29/77/82/428297782.db2.gz ZOGNBNIRBIAVEN-UHFFFAOYSA-N 2 0 300.406 2.726 20 0 DFADRP CCCC[N@H+](C)C[C@H](C)NC(=O)[C@H](C)[NH+](C)Cc1ccccc1 ZINC000356596779 428247606 /nfs/dbraw/zinc/24/76/06/428247606.db2.gz LFBWEUQHRUXRFB-IRXDYDNUSA-N 2 0 319.493 2.744 20 0 DFADRP COc1ccc(C[N@@H+]2CC[C@H]([C@H](C)[NH3+])C2)cc1OCC(C)C ZINC000346646607 428254822 /nfs/dbraw/zinc/25/48/22/428254822.db2.gz OQHKFULNUBMGCY-HOCLYGCPSA-N 2 0 306.450 2.899 20 0 DFADRP C[NH+]1CCC([C@@H]2CC[N@H+](Cc3cnn(C(C)(C)C)c3)C2)CC1 ZINC000377886769 428255409 /nfs/dbraw/zinc/25/54/09/428255409.db2.gz AWACWJUCOMFXDW-QGZVFWFLSA-N 2 0 304.482 2.802 20 0 DFADRP CC(C)[C@](C)(O)C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000360334164 428257351 /nfs/dbraw/zinc/25/73/51/428257351.db2.gz CAVFLNLSIUNGJG-NZSAHSFTSA-N 2 0 304.478 2.894 20 0 DFADRP CC1(C[N@@H+]2CC[C@]3(CC[NH+](Cc4ccccc4)C3)C2)COC1 ZINC000352815933 428259035 /nfs/dbraw/zinc/25/90/35/428259035.db2.gz MBOLMDXCIHZCJE-IBGZPJMESA-N 2 0 300.446 2.621 20 0 DFADRP COc1ccc(-c2n[nH]cc2C[N@H+](C)CC(C)(C)C[NH3+])cc1 ZINC000346660326 428261966 /nfs/dbraw/zinc/26/19/66/428261966.db2.gz ANVQVSQVOBDFHJ-UHFFFAOYSA-N 2 0 302.422 2.502 20 0 DFADRP Cc1ccc(NC(=O)CN(C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)c(F)c1 ZINC000352912963 428309222 /nfs/dbraw/zinc/30/92/22/428309222.db2.gz GJHATGCNIASYAX-YIONKMFJSA-N 2 0 319.424 2.630 20 0 DFADRP COc1ccc(OCCC[N@@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)cc1 ZINC000342152813 428325272 /nfs/dbraw/zinc/32/52/72/428325272.db2.gz YTBLABFXXBXGIE-BMGDILEWSA-N 2 0 304.434 2.523 20 0 DFADRP Cc1cccc(C[NH+]2CCN(CC[N@H+]3[C@H](C)CC[C@@H]3C)CC2)c1 ZINC000352956881 428327328 /nfs/dbraw/zinc/32/73/28/428327328.db2.gz LOKGXAUBDLUOMD-KDURUIRLSA-N 2 0 315.505 2.985 20 0 DFADRP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](Cc3cnc(-c4ccccn4)s3)C[C@H]21 ZINC000346816323 428330207 /nfs/dbraw/zinc/33/02/07/428330207.db2.gz AIEJYFCFJNLPND-BPLDGKMQSA-N 2 0 314.458 2.764 20 0 DFADRP CC[N@@H+]1C[C@H](C)[C@H](N[C@@H](C)[C@@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC000352972785 428330325 /nfs/dbraw/zinc/33/03/25/428330325.db2.gz YMWMHKZCAFYWJD-RAUXBKROSA-N 2 0 315.505 2.827 20 0 DFADRP Cc1ccc(-c2n[nH]cc2C[N@@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)cc1 ZINC000346826744 428333557 /nfs/dbraw/zinc/33/35/57/428333557.db2.gz MNIFVNMOTYQVDD-JQHSSLGASA-N 2 0 310.445 2.944 20 0 DFADRP [NH3+][C@@H]1CC[C@@H]2C[N@H+](Cc3c(F)cccc3N3CCCC3)C[C@@H]12 ZINC000346826737 428334163 /nfs/dbraw/zinc/33/41/63/428334163.db2.gz MMPUXPOGZYPBQJ-CKEIUWERSA-N 2 0 303.425 2.595 20 0 DFADRP [NH3+][C@@H]1CC[C@@H]2C[N@H+](Cc3c[nH]nc3-c3ccc(Cl)cc3)C[C@@H]12 ZINC000346827546 428334672 /nfs/dbraw/zinc/33/46/72/428334672.db2.gz SOAKCJRQDCHAEZ-DAXOMENPSA-N 2 0 316.836 2.899 20 0 DFADRP COc1ccc([C@@H]2CCC[N@@H+]2C[C@H]2CCC[NH2+]C2)c(OC)c1 ZINC000346830163 428336941 /nfs/dbraw/zinc/33/69/41/428336941.db2.gz KAULAGWDPZSCNJ-YOEHRIQHSA-N 2 0 304.434 2.840 20 0 DFADRP [NH3+][C@@H]1CC[C@H]2C[N@H+](Cc3cnn(-c4ccc(Cl)cc4)c3)C[C@H]12 ZINC000346832619 428338229 /nfs/dbraw/zinc/33/82/29/428338229.db2.gz LQBCJVSZERDMQT-RRQGHBQHSA-N 2 0 316.836 2.695 20 0 DFADRP CC[NH+](CC)Cc1cccc(CNC(=O)[C@@]2(CC)CC[NH2+]C2)c1 ZINC000378221202 428338514 /nfs/dbraw/zinc/33/85/14/428338514.db2.gz LMUXPTYXRZBFFX-IBGZPJMESA-N 2 0 317.477 2.534 20 0 DFADRP COC1(C)CC[NH+](CC(C)C[NH+]2CCC(C)(OC)CC2)CC1 ZINC000342186637 428339381 /nfs/dbraw/zinc/33/93/81/428339381.db2.gz YNJQJDBLBHYNGY-UHFFFAOYSA-N 2 0 312.498 2.624 20 0 DFADRP C[C@H]([NH2+]Cc1cccc(OCC[NH+](C)C)c1)[C@H]1CCCOC1 ZINC000356857472 428339693 /nfs/dbraw/zinc/33/96/93/428339693.db2.gz XCEUJDIJXCNMAI-RDJZCZTQSA-N 2 0 306.450 2.532 20 0 DFADRP Cn1cc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)c(-c2ccccc2)n1 ZINC000346838367 428340447 /nfs/dbraw/zinc/34/04/47/428340447.db2.gz XBGVGBWUUKMSQP-SZMVWBNQSA-N 2 0 310.445 2.646 20 0 DFADRP [NH3+][C@@H]1CC[C@@H]2C[N@H+](Cc3c[nH]nc3-c3cccc(Cl)c3)C[C@@H]12 ZINC000346843139 428341721 /nfs/dbraw/zinc/34/17/21/428341721.db2.gz XFQQMZIWVWNRDO-DAXOMENPSA-N 2 0 316.836 2.899 20 0 DFADRP COc1cccc(C[N@@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)c1OC(C)C ZINC000346843589 428341744 /nfs/dbraw/zinc/34/17/44/428341744.db2.gz KICIBFWGHBJKFG-CWRNSKLLSA-N 2 0 304.434 2.652 20 0 DFADRP Cn1cc(C[N@@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)c(C2CCCCC2)n1 ZINC000346858788 428347560 /nfs/dbraw/zinc/34/75/60/428347560.db2.gz RXYNDGSZDWGMRE-BHYGNILZSA-N 2 0 302.466 2.637 20 0 DFADRP COc1ccc(C[N@@H+]2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)cc1OCC(C)C ZINC000346855627 428347950 /nfs/dbraw/zinc/34/79/50/428347950.db2.gz UYZUNPCKFWVYHC-ULQDDVLXSA-N 2 0 318.461 2.899 20 0 DFADRP COC(=O)[C@@]12C[N@H+](CCC[NH+]3CCCCC3)C[C@H]1CCCC2 ZINC000342110120 428303995 /nfs/dbraw/zinc/30/39/95/428303995.db2.gz CVQKWGUBBJCHQY-AEFFLSMTSA-N 2 0 308.466 2.528 20 0 DFADRP C[NH+](C)Cc1ccccc1C(=O)NCCCCC[NH+]1CCCC1 ZINC000357104109 428389305 /nfs/dbraw/zinc/38/93/05/428389305.db2.gz VULUWINXTWQDNA-UHFFFAOYSA-N 2 0 317.477 2.744 20 0 DFADRP C[C@H]1CCCC[N@@H+]1CCC1CC[NH+](CC2CC[NH2+]CC2)CC1 ZINC000346972408 428390294 /nfs/dbraw/zinc/39/02/94/428390294.db2.gz HHDRBDQQIANXLI-KRWDZBQOSA-N 3 0 307.526 2.963 20 0 DFADRP [NH3+]CCCN(Cc1cc(Br)ccc1F)C1CC1 ZINC000414739085 428390269 /nfs/dbraw/zinc/39/02/69/428390269.db2.gz PNKBIUHGDGEVLB-UHFFFAOYSA-N 2 0 301.203 2.901 20 0 DFADRP CC[C@@H]1CN(c2ccccc2)CC[N@@H+]1C[C@H]1CC[NH2+][C@@H](C)C1 ZINC000414745694 428392411 /nfs/dbraw/zinc/39/24/11/428392411.db2.gz RCXDJOFSXRPYBJ-OKZBNKHCSA-N 2 0 301.478 2.975 20 0 DFADRP FC(F)(F)c1ccn(C2CC[NH+](CC3CC[NH2+]CC3)CC2)n1 ZINC000346982247 428394446 /nfs/dbraw/zinc/39/44/46/428394446.db2.gz MZUASRGOAXXEPG-UHFFFAOYSA-N 2 0 316.371 2.538 20 0 DFADRP C[C@H]1CCCC[N@@H+]1CCC1CC[NH+](C[C@H]2CCC[NH2+]C2)CC1 ZINC000346983817 428395160 /nfs/dbraw/zinc/39/51/60/428395160.db2.gz NSZVNWTZPNOWDB-HKUYNNGSSA-N 3 0 307.526 2.963 20 0 DFADRP CCc1ccc(C[N@@H+]2CCC[C@H](CN3CC[NH+](C)CC3)C2)cc1 ZINC000378435534 428395837 /nfs/dbraw/zinc/39/58/37/428395837.db2.gz NWKGHUGPVPPVCR-HXUWFJFHSA-N 2 0 315.505 2.708 20 0 DFADRP C[N@@H+]1CCC[C@H]1CCN1CCC[C@@]2(C1)OCc1ccccc12 ZINC000360684755 428397507 /nfs/dbraw/zinc/39/75/07/428397507.db2.gz GXSKPQZDIQHBGZ-HKUYNNGSSA-N 2 0 300.446 2.992 20 0 DFADRP C[C@H]1C[C@@H](C[NH+]2CCC(CO)(Cc3ccccc3)CC2)CC[NH2+]1 ZINC000414763924 428398375 /nfs/dbraw/zinc/39/83/75/428398375.db2.gz YHAYNLSMHBVPMT-HKUYNNGSSA-N 2 0 316.489 2.692 20 0 DFADRP c1nc(-c2ccncc2)sc1C[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000414770916 428398385 /nfs/dbraw/zinc/39/83/85/428398385.db2.gz PVKJKKJMKGAYTL-GASCZTMLSA-N 2 0 314.458 2.637 20 0 DFADRP CCOCc1cc(C[N@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)ccc1OC ZINC000414771267 428398471 /nfs/dbraw/zinc/39/84/71/428398471.db2.gz QTKYGOYXONQBIP-CALCHBBNSA-N 2 0 318.461 2.663 20 0 DFADRP CCOc1ccc(C[NH+]2CCC([C@@H]3OCC[C@H]3[NH3+])CC2)cc1F ZINC000414769507 428398792 /nfs/dbraw/zinc/39/87/92/428398792.db2.gz KIPJWIHTOLOOOT-AEFFLSMTSA-N 2 0 322.424 2.553 20 0 DFADRP COc1ccc(C[C@@H](C)C[N@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)cc1F ZINC000414769033 428399015 /nfs/dbraw/zinc/39/90/15/428399015.db2.gz MYURMNYJJYISON-OIISXLGYSA-N 2 0 320.452 2.944 20 0 DFADRP Cn1cc(-c2ccc(C[N@H+]3CC[C@H]4C[NH2+]C[C@H]4CC3)s2)cn1 ZINC000414773531 428399770 /nfs/dbraw/zinc/39/97/70/428399770.db2.gz XBSSTEXOOHPYDL-OKILXGFUSA-N 2 0 316.474 2.580 20 0 DFADRP Cn1cc(C[N@@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)c(-c2ccccc2)n1 ZINC000414771994 428400143 /nfs/dbraw/zinc/40/01/43/428400143.db2.gz BBAPZCPETCCPNP-QZTJIDSGSA-N 2 0 324.472 2.909 20 0 DFADRP c1nn(-c2ccccc2)cc1C[N@@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000414774044 428402203 /nfs/dbraw/zinc/40/22/03/428402203.db2.gz FCWZPWGANTXAHT-ROUUACIJSA-N 2 0 310.445 2.694 20 0 DFADRP COCCOc1ccccc1C[N@@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000414779616 428403181 /nfs/dbraw/zinc/40/31/81/428403181.db2.gz KOIZDXCLRPKBBH-IRXDYDNUSA-N 2 0 318.461 2.533 20 0 DFADRP CCN(CC)c1ncc(C[N@@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)s1 ZINC000414778565 428403239 /nfs/dbraw/zinc/40/32/39/428403239.db2.gz JCMGGNQXVUGYGD-HUUCEWRRSA-N 2 0 322.522 2.811 20 0 DFADRP [NH3+]C[C@@H]1C[N@H+](C/C=C\c2ccc(F)cc2F)CC12CCOCC2 ZINC000414780918 428403914 /nfs/dbraw/zinc/40/39/14/428403914.db2.gz MDKNMEKRCFFISA-DJYNDVHFSA-N 2 0 322.399 2.665 20 0 DFADRP FC(F)(F)c1ccn(-c2ccc(C[NH2+]C3CC[NH2+]CC3)cc2)n1 ZINC000414781228 428404493 /nfs/dbraw/zinc/40/44/93/428404493.db2.gz BTVGDTKAJWGRAG-UHFFFAOYSA-N 2 0 324.350 2.733 20 0 DFADRP c1cc(C[N@@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)n(-c2ccccc2)n1 ZINC000414783143 428407184 /nfs/dbraw/zinc/40/71/84/428407184.db2.gz PKCWOJIVEWNVJM-IAGOWNOFSA-N 2 0 310.445 2.694 20 0 DFADRP c1cnn(-c2cccc(C[N@@H+]3CCC[C@H]([C@H]4CC[NH2+]C4)C3)c2)c1 ZINC000414781840 428407634 /nfs/dbraw/zinc/40/76/34/428407634.db2.gz NMLWYGVKNMOGJF-ROUUACIJSA-N 2 0 310.445 2.694 20 0 DFADRP Cc1ccc(Cl)cc1NC(=O)C[C@@H](C)[NH2+]C1CC[NH2+]CC1 ZINC000414784527 428407646 /nfs/dbraw/zinc/40/76/46/428407646.db2.gz SNRBQCKBOLOTTA-GFCCVEGCSA-N 2 0 309.841 2.707 20 0 DFADRP CC(C)Oc1cccc(C[NH+]2CCC([C@@H]3OCC[C@H]3[NH3+])CC2)c1 ZINC000414788662 428410292 /nfs/dbraw/zinc/41/02/92/428410292.db2.gz NCTURDWLHSITIM-MOPGFXCFSA-N 2 0 318.461 2.802 20 0 DFADRP c1c(C[N@@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)[nH]nc1-c1ccccc1 ZINC000414789967 428410305 /nfs/dbraw/zinc/41/03/05/428410305.db2.gz ZCTUKYDKRXJXPW-SJORKVTESA-N 2 0 310.445 2.898 20 0 DFADRP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]Cc1ccc(OCC(F)(F)F)cc1 ZINC000414786019 428410771 /nfs/dbraw/zinc/41/07/71/428410771.db2.gz APWIMKWASHMULO-JSGCOSHPSA-N 2 0 302.340 2.845 20 0 DFADRP COc1cccc(NC(=O)C[C@H](C)[NH2+][C@@H]2CCCC[C@@H]2C[NH3+])c1 ZINC000414796646 428413072 /nfs/dbraw/zinc/41/30/72/428413072.db2.gz HXHAVLAZYOYHSQ-JJRVBVJISA-N 2 0 319.449 2.519 20 0 DFADRP CCCOc1cccc(C[N@@H+]2C[C@@H](C[NH3+])C3(C2)CCOCC3)c1 ZINC000414794689 428413109 /nfs/dbraw/zinc/41/31/09/428413109.db2.gz VQOQAXURKWYBAM-QGZVFWFLSA-N 2 0 318.461 2.663 20 0 DFADRP CN(c1ccccc1C[NH2+][C@H]1C[C@H]1C(F)F)C1CC[NH+](C)CC1 ZINC000342242722 428364805 /nfs/dbraw/zinc/36/48/05/428364805.db2.gz WKHBKFSVUMKAIF-CVEARBPZSA-N 2 0 323.431 2.960 20 0 DFADRP Cc1nn(-c2cccc(F)c2)cc1C[N@H+]1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000414660393 428367737 /nfs/dbraw/zinc/36/77/37/428367737.db2.gz NZJYNIVJLKYDQI-UKRRQHHQSA-N 2 0 316.424 2.879 20 0 DFADRP C[C@@H]1CCC[C@H](C[N@@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@@H](C)C2)C1 ZINC000356985373 428367920 /nfs/dbraw/zinc/36/79/20/428367920.db2.gz NZKCITJWVMRBHQ-XWSJACJDSA-N 2 0 307.526 2.771 20 0 DFADRP Cc1cccc(CN2CC[NH+](C[C@H]3CC[NH2+][C@@H](C)C3)CC2)c1 ZINC000414672565 428369488 /nfs/dbraw/zinc/36/94/88/428369488.db2.gz ATNFYYRQSHVZBI-HKUYNNGSSA-N 2 0 301.478 2.501 20 0 DFADRP Cc1cccc(C(=O)N2CCCN(C[C@@H]([NH3+])CC(C)C)CC2)c1 ZINC000414673172 428370193 /nfs/dbraw/zinc/37/01/93/428370193.db2.gz INOZEGANSVJNPL-SFHVURJKSA-N 2 0 317.477 2.516 20 0 DFADRP CC(C)[NH+](CCN(C)C(=O)[C@H](C)[NH+]1[C@@H](C)CC[C@@H]1C)C(C)C ZINC000357048331 428370465 /nfs/dbraw/zinc/37/04/65/428370465.db2.gz CTPYNXKVBBRWTE-ULQDDVLXSA-N 2 0 311.514 2.825 20 0 DFADRP CCCN(CC[NH+]1CCCC1)C(=O)[C@H](C)[NH+]1CCCCCC1 ZINC000342259626 428372150 /nfs/dbraw/zinc/37/21/50/428372150.db2.gz HJVJMMMFBJKEFA-KRWDZBQOSA-N 2 0 309.498 2.585 20 0 DFADRP C[NH+](C)[C@H](CNc1ncnc2[nH]ccc21)c1ccccc1Cl ZINC000357052477 428372965 /nfs/dbraw/zinc/37/29/65/428372965.db2.gz QJYIULZHLHPDDB-CQSZACIVSA-N 2 0 315.808 3.326 20 0 DFADRP COC(=O)[C@H](C)C[N@@H+](Cc1ccccc1)C[C@H]1CC[NH2+][C@@H](C)C1 ZINC000414676046 428373394 /nfs/dbraw/zinc/37/33/94/428373394.db2.gz MTPNIUIEMABPTO-RYRKJORJSA-N 2 0 318.461 2.686 20 0 DFADRP COCC[N@H+](CCCc1ccccc1)C[C@H]1CC[NH2+][C@H](C)C1 ZINC000414685619 428375059 /nfs/dbraw/zinc/37/50/59/428375059.db2.gz CZPQBJBZGMKMAC-MJGOQNOKSA-N 2 0 304.478 2.956 20 0 DFADRP C[C@H]1C[C@H](CN2CCC[N@H+](CC3CCCCC3)CC2)CC[NH2+]1 ZINC000414688840 428376170 /nfs/dbraw/zinc/37/61/70/428376170.db2.gz JSVQAVPKJMWFHU-PKOBYXMFSA-N 2 0 307.526 2.963 20 0 DFADRP CCC[NH+](CCC)CCCC(=O)N1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000371229643 428377450 /nfs/dbraw/zinc/37/74/50/428377450.db2.gz JTFGROOVCQOTAA-MSOLQXFVSA-N 2 0 323.525 2.879 20 0 DFADRP C[C@@H]1CN(Cc2ccccc2)CC[N@H+]1C[C@H]1CC[NH2+][C@@H](C)C1 ZINC000414698958 428378372 /nfs/dbraw/zinc/37/83/72/428378372.db2.gz REOBLROIOFHMAJ-SCTDSRPQSA-N 2 0 301.478 2.581 20 0 DFADRP C[C@@H]1C[C@H](C[N@@H+]2CCC[C@H](C[NH+]3CCCCCC3)C2)CC[NH2+]1 ZINC000414692777 428378678 /nfs/dbraw/zinc/37/86/78/428378678.db2.gz LQHKWOACJQAWPG-GUDVDZBRSA-N 3 0 307.526 2.963 20 0 DFADRP CCc1ccc([C@@H](C)[NH2+]CC(=O)NC2CC[NH+](CC)CC2)cc1 ZINC000357075262 428379699 /nfs/dbraw/zinc/37/96/99/428379699.db2.gz VSRJMVOJOSDTCH-OAHLLOKOSA-N 2 0 317.477 2.500 20 0 DFADRP C[N@H+](CCCc1ccccc1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000371258188 428380342 /nfs/dbraw/zinc/38/03/42/428380342.db2.gz LRXJEZMPXPQZSM-FQEVSTJZSA-N 2 0 315.505 2.720 20 0 DFADRP C[C@@H]1C[C@H](C[N@@H+]2CCC[C@@H]2c2ccc3c(c2)OCO3)CC[NH2+]1 ZINC000414701180 428381393 /nfs/dbraw/zinc/38/13/93/428381393.db2.gz UDXZDVMVAUAZMX-IIAWOOMASA-N 2 0 302.418 2.940 20 0 DFADRP Cc1ccc(C[N@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@H]32)cc1C ZINC000378368252 428381539 /nfs/dbraw/zinc/38/15/39/428381539.db2.gz GHEZQEWTWCPZGN-IPMKNSEASA-N 2 0 302.462 2.987 20 0 DFADRP CC(C)[C@@H](CO)[N@@H+](Cc1ccccc1)C[C@H]1CC[NH2+][C@H](C)C1 ZINC000414704410 428381607 /nfs/dbraw/zinc/38/16/07/428381607.db2.gz NFRPODQLQQKTFQ-NZSAHSFTSA-N 2 0 304.478 2.894 20 0 DFADRP C[C@H]1C[C@H](C[N@H+](C)CC2CCN(c3cc[nH+]cc3)CC2)CC[NH2+]1 ZINC000414704220 428382001 /nfs/dbraw/zinc/38/20/01/428382001.db2.gz CZGVNHDTGBVGME-FUHWJXTLSA-N 2 0 316.493 2.618 20 0 DFADRP C[C@@H](C(=O)NCCCCC[NH+]1CCCC1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000357090522 428382103 /nfs/dbraw/zinc/38/21/03/428382103.db2.gz RZJNRWUWQDTQLR-BBWFWOEESA-N 2 0 309.498 2.630 20 0 DFADRP C[C@@H]1C[C@@H](C[NH2+]C2(c3cccc(F)c3)CCOCC2)CC[NH2+]1 ZINC000414710684 428383592 /nfs/dbraw/zinc/38/35/92/428383592.db2.gz QGUDIDBDNOENAI-CABCVRRESA-N 2 0 306.425 2.809 20 0 DFADRP [NH3+]CC(=O)N1CCC[C@@H](C[N@@H+]2CCCC3(C2)CCCCCC3)C1 ZINC000414712446 428383636 /nfs/dbraw/zinc/38/36/36/428383636.db2.gz UINWVHHMKDEZMP-KRWDZBQOSA-N 2 0 321.509 2.620 20 0 DFADRP C[C@H]1C[C@H](C[NH+]2CCC(CCC[NH+]3CCCC3)CC2)CC[NH2+]1 ZINC000414714595 428383862 /nfs/dbraw/zinc/38/38/62/428383862.db2.gz XOCLXOONIAVVMK-PKOBYXMFSA-N 3 0 307.526 2.963 20 0 DFADRP Cc1cc([C@@H]2C[N@H+](C[C@H]3CC[NH2+][C@@H](C)C3)CCO2)ccc1F ZINC000414718546 428384704 /nfs/dbraw/zinc/38/47/04/428384704.db2.gz ZHNZEYMXQFILQK-MPGHIAIKSA-N 2 0 306.425 2.896 20 0 DFADRP C[NH+](C)[C@H]1CCC[C@@H]([NH2+]C2CCN(c3nccs3)CC2)C1 ZINC000378582824 428433439 /nfs/dbraw/zinc/43/34/39/428433439.db2.gz PKINAIGANWIOEA-CABCVRRESA-N 2 0 308.495 2.574 20 0 DFADRP C[C@@H]([NH2+]Cc1ccc(Br)s1)[C@H]1CCC[NH2+]C1 ZINC000414858152 428435092 /nfs/dbraw/zinc/43/50/92/428435092.db2.gz RAIMWNPYHSLWQZ-ZJUUUORDSA-N 2 0 303.269 2.988 20 0 DFADRP CCOC(=O)[C@@H]1CC[C@@H]([NH2+]CC2([NH3+])CCCCCC2)C[C@H]1C ZINC000414858143 428435248 /nfs/dbraw/zinc/43/52/48/428435248.db2.gz IBIPYPDRPDMMQB-BZUAXINKSA-N 2 0 310.482 2.996 20 0 DFADRP COc1cc(C[NH2+][C@@H](C)[C@H]2CCC[NH2+]C2)ccc1OC(C)C ZINC000414858689 428435584 /nfs/dbraw/zinc/43/55/84/428435584.db2.gz SIBFTEFINLZLHG-HOCLYGCPSA-N 2 0 306.450 2.960 20 0 DFADRP C[C@@H]([NH2+]Cc1cnc(-c2ccncc2)s1)[C@H]1CCC[NH2+]C1 ZINC000414858537 428436560 /nfs/dbraw/zinc/43/65/60/428436560.db2.gz RXCNJZGKXGTJCG-OCCSQVGLSA-N 2 0 302.447 2.683 20 0 DFADRP Fc1ccc(Br)c(F)c1CNC[C@H]1CCC[NH2+]C1 ZINC000414863839 428438608 /nfs/dbraw/zinc/43/86/08/428438608.db2.gz YHTPNNVBKIPVPB-VIFPVBQESA-N 2 0 319.193 2.817 20 0 DFADRP c1cncc(CNCCC[NH2+]Cc2cccc3cccnc32)c1 ZINC000414871210 428439876 /nfs/dbraw/zinc/43/98/76/428439876.db2.gz DEHVBHJMQQKOSQ-UHFFFAOYSA-N 2 0 306.413 2.899 20 0 DFADRP C[C@@H]([NH3+])[C@H]1CCC[N@H+](Cc2cn(C)nc2-c2cccs2)C1 ZINC000347090426 428440436 /nfs/dbraw/zinc/44/04/36/428440436.db2.gz GBYXKNZDUXDOOP-OLZOCXBDSA-N 2 0 304.463 2.708 20 0 DFADRP Cc1nc(COc2ccc(C[NH2+]C[C@@H](C)C[NH3+])cc2)cs1 ZINC000414877881 428440683 /nfs/dbraw/zinc/44/06/83/428440683.db2.gz NMWRSMVAGYPGBZ-LBPRGKRZSA-N 2 0 305.447 2.715 20 0 DFADRP C[C@@H](CC(=O)N(C)Cc1cccc(Cl)c1)[NH2+]CC1([NH3+])CCC1 ZINC000414884712 428445305 /nfs/dbraw/zinc/44/53/05/428445305.db2.gz WBMBYLHQICVECU-ZDUSSCGKSA-N 2 0 323.868 2.548 20 0 DFADRP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NCc2ccsc2)cc1 ZINC000414893176 428446929 /nfs/dbraw/zinc/44/69/29/428446929.db2.gz YASMPHXIZAPXDB-IRXDYDNUSA-N 2 0 302.443 2.992 20 0 DFADRP COc1ccc([C@H]2CC[NH2+]C[C@H]2NCc2ccsc2)cc1 ZINC000414893175 428447002 /nfs/dbraw/zinc/44/70/02/428447002.db2.gz YASMPHXIZAPXDB-IAGOWNOFSA-N 2 0 302.443 2.992 20 0 DFADRP C[C@H](Cc1ccc(Br)cc1F)[NH2+]C[C@@H](C)C[NH3+] ZINC000414887149 428447085 /nfs/dbraw/zinc/44/70/85/428447085.db2.gz YXCPSXZDQVDOMS-VHSXEESVSA-N 2 0 303.219 2.704 20 0 DFADRP Cc1ccc(Cl)cc1NC(=O)C[C@@H](C)[NH2+]C[C@@H]([NH3+])C1CC1 ZINC000414895654 428448541 /nfs/dbraw/zinc/44/85/41/428448541.db2.gz YLNKKSREWJHHRJ-BXUZGUMPSA-N 2 0 309.841 2.692 20 0 DFADRP C[C@H](CC[NH3+])[NH2+]Cc1ccc(-n2ccc(C(F)(F)F)n2)cc1 ZINC000414898743 428448580 /nfs/dbraw/zinc/44/85/80/428448580.db2.gz TXERQJQUMRJAMB-LLVKDONJSA-N 2 0 312.339 2.718 20 0 DFADRP COCC[C@H](Cc1cccc(F)c1)[NH2+]CC1(C)CC[NH2+]CC1 ZINC000414898106 428448943 /nfs/dbraw/zinc/44/89/43/428448943.db2.gz FZFGTQPXTXHRJF-QGZVFWFLSA-N 2 0 308.441 2.753 20 0 DFADRP COCCOC[C@H](C)[NH2+][C@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000357241514 428449987 /nfs/dbraw/zinc/44/99/87/428449987.db2.gz XLJYWNRVKYSNNL-YQVWRLOYSA-N 2 0 320.477 2.538 20 0 DFADRP CCc1ccccc1NC(=O)C[C@@H](C)[NH2+]CC[C@H]1CCC[NH2+]1 ZINC000414904036 428451370 /nfs/dbraw/zinc/45/13/70/428451370.db2.gz KSZBZVBKXKSXFF-GDBMZVCRSA-N 2 0 303.450 2.698 20 0 DFADRP C[C@H](O)C[N@H+](C)C1CC[NH+](C[C@@H]2C[C@@H]2c2ccccc2)CC1 ZINC000353254464 428451523 /nfs/dbraw/zinc/45/15/23/428451523.db2.gz NXBLRCMGZJDDCR-VDZJLULYSA-N 2 0 302.462 2.567 20 0 DFADRP C[C@@H]1C[C@@H](NC(=O)CCC(C)(C)[NH3+])CC[N@@H+]1Cc1ccccc1 ZINC000379664610 428452348 /nfs/dbraw/zinc/45/23/48/428452348.db2.gz PTGUJFCJMHHHIA-WBVHZDCISA-N 2 0 317.477 2.673 20 0 DFADRP c1ccc(C[N@H+]2C[C@@H]3CC[C@@H](NCC[C@H]4CCC[NH2+]4)[C@@H]3C2)cc1 ZINC000414902455 428453165 /nfs/dbraw/zinc/45/31/65/428453165.db2.gz IDAWQYYWNLUFKO-MTQWCTHYSA-N 2 0 313.489 2.629 20 0 DFADRP CCOc1cc(C[NH2+]CC[C@H]2CCC[NH2+]2)ccc1OC(F)F ZINC000414909066 428454181 /nfs/dbraw/zinc/45/41/81/428454181.db2.gz SNEHADNTHUAPPA-CYBMUJFWSA-N 2 0 314.376 2.918 20 0 DFADRP C[C@H](CC(=O)Nc1ccccc1C(F)(F)F)[NH2+]CCCC[NH3+] ZINC000414914497 428455510 /nfs/dbraw/zinc/45/55/10/428455510.db2.gz XKGMSCXBYAPULY-LLVKDONJSA-N 2 0 317.355 2.751 20 0 DFADRP CCc1ccccc1NC(=O)C[C@@H](C)[NH2+]CC1(C)CC[NH2+]CC1 ZINC000414915250 428456132 /nfs/dbraw/zinc/45/61/32/428456132.db2.gz ZLLSXLBWLNXTLW-OAHLLOKOSA-N 2 0 317.477 2.945 20 0 DFADRP CC(C)n1ncc2cc(C[NH+]3CCC([C@H](C)[NH3+])CC3)cnc21 ZINC000347126749 428457777 /nfs/dbraw/zinc/45/77/77/428457777.db2.gz YGXOFIWGCMEKAE-ZDUSSCGKSA-N 2 0 301.438 2.571 20 0 DFADRP COc1ccc(C[NH2+]C2(C)CC[NH2+]CC2)cc1Br ZINC000414932057 428458651 /nfs/dbraw/zinc/45/86/51/428458651.db2.gz CGOYINHQISSJRP-UHFFFAOYSA-N 2 0 313.239 2.689 20 0 DFADRP Cc1ccc([C@H]([NH2+]C[C@H]2CN(C)CCN2C)C2CCCC2)o1 ZINC000342791099 428458745 /nfs/dbraw/zinc/45/87/45/428458745.db2.gz DZOIUSCICDHLKL-FUHWJXTLSA-N 2 0 305.466 2.655 20 0 DFADRP CC[C@H](Cc1ccc(OC)c(OC)c1)[NH2+][C@H]1CC[NH2+]C[C@H]1C ZINC000414947225 428465874 /nfs/dbraw/zinc/46/58/74/428465874.db2.gz VSWWFHDFDMHZJM-BMFZPTHFSA-N 2 0 306.450 2.613 20 0 DFADRP CCc1ccccc1NC(=O)C[C@H](C)[NH2+][C@@H]1CC[NH2+][C@@H](C)C1 ZINC000414943673 428466722 /nfs/dbraw/zinc/46/67/22/428466722.db2.gz FRSSGRMOPALYAK-OFQRWUPVSA-N 2 0 303.450 2.696 20 0 DFADRP C[C@H](CC(=O)Nc1cccc(Cl)c1)N[C@@H]1CCC[NH2+][C@@H]1C ZINC000414951942 428467747 /nfs/dbraw/zinc/46/77/47/428467747.db2.gz JUEINKIOWUUXFV-LALPHHSUSA-N 2 0 309.841 2.787 20 0 DFADRP CC[NH+](CC)CCO[C@H]1CC[N@H+](C[C@H]2Cc3ccccc32)C1 ZINC000347034915 428414877 /nfs/dbraw/zinc/41/48/77/428414877.db2.gz PBUXQJFXISPRJW-MSOLQXFVSA-N 2 0 302.462 2.759 20 0 DFADRP C[C@@H]([NH3+])c1ccc(C[NH2+]C2CCN(c3nccs3)CC2)cc1 ZINC000414803007 428415541 /nfs/dbraw/zinc/41/55/41/428415541.db2.gz CJIPWGKDBVMXMF-CYBMUJFWSA-N 2 0 316.474 2.921 20 0 DFADRP Cc1ccc(Cl)cc1NC(=O)C[C@H](C)[NH2+]C[C@@H]([NH3+])C(C)C ZINC000414803374 428415888 /nfs/dbraw/zinc/41/58/88/428415888.db2.gz WQHCSAHJZLDGAN-GXTWGEPZSA-N 2 0 311.857 2.938 20 0 DFADRP Cn1c2ccc(Cl)cc2nc1C[NH2+][C@H]1CCCC[C@@H]1C[NH3+] ZINC000414798485 428416821 /nfs/dbraw/zinc/41/68/21/428416821.db2.gz JIAAXOJHDUCAMA-YPMHNXCESA-N 2 0 306.841 2.834 20 0 DFADRP [NH3+]C[C@@H]1CCC[N@H+](Cc2cccc(OCC(F)(F)F)c2)C1 ZINC000347032896 428416908 /nfs/dbraw/zinc/41/69/08/428416908.db2.gz FBAXTBFLOXYCBP-ZDUSSCGKSA-N 2 0 302.340 2.798 20 0 DFADRP [NH3+]C[C@@H]1CCC[C@H]1[NH2+]Cc1ccc(F)c(Br)c1 ZINC000414797215 428417316 /nfs/dbraw/zinc/41/73/16/428417316.db2.gz OVDWKWSETMIEBH-GXFFZTMASA-N 2 0 301.203 2.805 20 0 DFADRP Cc1cc(-n2ccnc2)ccc1CN1CC[S@](=O)[C@H](C)[C@H]1C ZINC000360735210 428419448 /nfs/dbraw/zinc/41/94/48/428419448.db2.gz GPVHFDXIFPWLMO-HLFMIMNKSA-N 2 0 317.458 2.522 20 0 DFADRP C[N@@H+]1CCC[C@@H]2C[NH+](C[C@@H](O)Cc3cccc(Cl)c3)CC[C@H]21 ZINC000347045940 428423692 /nfs/dbraw/zinc/42/36/92/428423692.db2.gz GTVPQSVSPMSTRP-BPQIPLTHSA-N 2 0 322.880 2.660 20 0 DFADRP C[C@@H]1CN(CC(C)(C)C[N@H+](C)Cc2ccccc2)CC[C@@H]1[NH3+] ZINC000347045681 428423805 /nfs/dbraw/zinc/42/38/05/428423805.db2.gz NXEXPSMBBVBMKO-AEFFLSMTSA-N 2 0 303.494 2.814 20 0 DFADRP CSC1(C[NH2+]Cc2cc(F)cc(F)c2)CC[NH+](C)CC1 ZINC000353196120 428424071 /nfs/dbraw/zinc/42/40/71/428424071.db2.gz WOOKQRZGOAWWPE-UHFFFAOYSA-N 2 0 300.418 2.882 20 0 DFADRP Cc1ccc(Cl)cc1NC(=O)C[C@@H](C)[NH2+]C[C@H]1CCC[NH2+]C1 ZINC000414824893 428424233 /nfs/dbraw/zinc/42/42/33/428424233.db2.gz GHFHZYVKNBZEDO-KGLIPLIRSA-N 2 0 323.868 2.955 20 0 DFADRP C[N@H+](C[C@H](O)Cc1cccc(Cl)c1)C[C@@H]1CCC[NH+](C)C1 ZINC000347048020 428424700 /nfs/dbraw/zinc/42/47/00/428424700.db2.gz HRWRFZGNRXRIAQ-NVXWUHKLSA-N 2 0 310.869 2.517 20 0 DFADRP Cc1cccc(NC(=O)C[C@@H](C)[NH2+]CC[C@@H]2CC[NH2+]C2)c1C ZINC000414827154 428425745 /nfs/dbraw/zinc/42/57/45/428425745.db2.gz GRTRINHTJQCGKW-ZBFHGGJFSA-N 2 0 303.450 2.610 20 0 DFADRP Cc1ccc(Cl)cc1NC(=O)C[C@H](C)[NH2+]C[C@@H]1CCC[NH2+]C1 ZINC000414824896 428425892 /nfs/dbraw/zinc/42/58/92/428425892.db2.gz GHFHZYVKNBZEDO-UONOGXRCSA-N 2 0 323.868 2.955 20 0 DFADRP C[C@H]1C[C@H](NC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC[N@@H+]1Cc1ccccc1 ZINC000414831150 428427009 /nfs/dbraw/zinc/42/70/09/428427009.db2.gz PPELVLMRTMMMGY-VNWQMFHMSA-N 2 0 313.489 2.912 20 0 DFADRP C[NH+](C)CCOCC[NH2+][C@@H]1CCCc2c3ccccc3[nH]c21 ZINC000318813560 273797085 /nfs/dbraw/zinc/79/70/85/273797085.db2.gz IYYUHFATUYYTHT-QGZVFWFLSA-N 2 0 301.434 2.713 20 0 DFADRP C[C@@H](CC(=O)Nc1ccc(F)cc1)[NH2+]CC[C@@H]1CCC[NH2+]C1 ZINC000414831388 428427549 /nfs/dbraw/zinc/42/75/49/428427549.db2.gz DCAJIXVHRGSEGU-KBPBESRZSA-N 2 0 307.413 2.522 20 0 DFADRP CC(C)C[C@@H](C[NH3+])NCc1cc(Cl)c2c(c1)OCCCO2 ZINC000414835158 428428306 /nfs/dbraw/zinc/42/83/06/428428306.db2.gz HEJXDIURPTYWGE-ZDUSSCGKSA-N 2 0 312.841 2.964 20 0 DFADRP COc1ccsc1C[NH2+]CC1(SC)CC[NH+](C)CC1 ZINC000353198178 428428631 /nfs/dbraw/zinc/42/86/31/428428631.db2.gz YRDTYIOGUMXFRL-UHFFFAOYSA-N 2 0 300.493 2.674 20 0 DFADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NCC1([NH3+])CCCCC1 ZINC000414837885 428429303 /nfs/dbraw/zinc/42/93/03/428429303.db2.gz HHNLLOBCATXBNO-AEFFLSMTSA-N 2 0 301.478 2.758 20 0 DFADRP C[C@H](CCc1ccc2c(c1)OCO2)[NH2+]CC1([NH3+])CCCCC1 ZINC000414838414 428429514 /nfs/dbraw/zinc/42/95/14/428429514.db2.gz HZXBDTUOHWOWDZ-CQSZACIVSA-N 2 0 304.434 2.988 20 0 DFADRP Cc1csc(N2CCC([NH2+]CC3([NH3+])CCCCC3)CC2)n1 ZINC000414843841 428429549 /nfs/dbraw/zinc/42/95/49/428429549.db2.gz ORIRYBFEBYHHET-UHFFFAOYSA-N 2 0 308.495 2.672 20 0 DFADRP COc1c(Br)cccc1C[NH2+]CC[C@@H]1CC[NH2+]C1 ZINC000414837090 428430375 /nfs/dbraw/zinc/43/03/75/428430375.db2.gz UDGYOCGSZXHTIA-NSHDSACASA-N 2 0 313.239 2.547 20 0 DFADRP C[NH2+]C[C@H](C)C[NH2+][C@H](C)CC(=O)Nc1ccc(C)c(Cl)c1 ZINC000414842617 428430889 /nfs/dbraw/zinc/43/08/89/428430889.db2.gz PFMQSNAMIWMEON-WCQYABFASA-N 2 0 311.857 2.811 20 0 DFADRP CCOc1cc(C[NH2+]CC[C@H]2CC[NH2+]C2)cc(Cl)c1OC ZINC000414839962 428431158 /nfs/dbraw/zinc/43/11/58/428431158.db2.gz WVBZTRCSKSNBAY-GFCCVEGCSA-N 2 0 312.841 2.837 20 0 DFADRP CCc1ccccc1NC(=O)C[C@@H](C)[NH2+]CC[C@@H]1CCC[NH2+]C1 ZINC000414836476 428431329 /nfs/dbraw/zinc/43/13/29/428431329.db2.gz JKXVZPFYUDMJTE-CVEARBPZSA-N 2 0 317.477 2.945 20 0 DFADRP OC[C@H]1CCCN1C[C@@H]1CCC[N@@H+]1CCCCc1ccccc1 ZINC000372343174 428432311 /nfs/dbraw/zinc/43/23/11/428432311.db2.gz BOOKIEUTDNHMQR-VQTJNVASSA-N 2 0 316.489 2.930 20 0 DFADRP CCCOc1cc(C[NH2+][C@H](C)[C@@H]2CCC[NH2+]C2)ccc1OC ZINC000414845549 428433249 /nfs/dbraw/zinc/43/32/49/428433249.db2.gz DQAVKVJCJGJIGK-GDBMZVCRSA-N 2 0 306.450 2.962 20 0 DFADRP Cn1c(C[NH2+]CCC[C@H]2CCC[NH2+]2)nc2cc(Cl)ccc21 ZINC000414978560 428480947 /nfs/dbraw/zinc/48/09/47/428480947.db2.gz TUEHHHPJTTYMPC-ZDUSSCGKSA-N 2 0 306.841 2.849 20 0 DFADRP [NH3+][C@H]1CCC[C@@H](C[NH2+]C2CCN(CCc3ccccc3)CC2)C1 ZINC000414999610 428484376 /nfs/dbraw/zinc/48/43/76/428484376.db2.gz JKVUBEKRVCPFJD-MOPGFXCFSA-N 2 0 315.505 2.801 20 0 DFADRP C[C@@H]1CN(Cc2ccccc2)C[C@@H]1[NH2+]C[C@H]1CCC[C@H]([NH3+])C1 ZINC000415000030 428484866 /nfs/dbraw/zinc/48/48/66/428484866.db2.gz JVDHIEPCDODRSK-BVBHFADKSA-N 3 0 301.478 2.614 20 0 DFADRP [NH3+][C@@H]1CCC[C@H](C[NH2+]C2CCN(CCc3ccccc3)CC2)C1 ZINC000414999614 428485437 /nfs/dbraw/zinc/48/54/37/428485437.db2.gz JKVUBEKRVCPFJD-RBUKOAKNSA-N 2 0 315.505 2.801 20 0 DFADRP Cc1nn(C(C)(C)C)c(C)c1C[NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000415003556 428486418 /nfs/dbraw/zinc/48/64/18/428486418.db2.gz GEICRJCOBIXGBC-DOTOQJQBSA-N 2 0 304.482 2.733 20 0 DFADRP [NH3+][C@@H]1CCC[C@H](C[NH2+]Cc2ccnn2-c2ccc(F)cc2)C1 ZINC000415008873 428488112 /nfs/dbraw/zinc/48/81/12/428488112.db2.gz STRDQGMLSLFPQS-DZGCQCFKSA-N 2 0 302.397 2.619 20 0 DFADRP C[C@H](CCCC[NH3+])[NH2+]Cc1cc2c(cc1OC(F)F)OCO2 ZINC000415006797 428488366 /nfs/dbraw/zinc/48/83/66/428488366.db2.gz AJTZGGRTKHOXSK-SNVBAGLBSA-N 2 0 316.348 2.624 20 0 DFADRP COc1cc(OC)c(OC)cc1C[NH2+]C[C@H]1CC[C@H](C[NH3+])CC1 ZINC000415023952 428490510 /nfs/dbraw/zinc/49/05/10/428490510.db2.gz MFQKLPXXQATGSW-HDJSIYSDSA-N 2 0 322.449 2.567 20 0 DFADRP Cc1nn(-c2ccc(F)cc2)c(C)c1C[NH2+][C@H](C)CCC[NH3+] ZINC000415024881 428491456 /nfs/dbraw/zinc/49/14/56/428491456.db2.gz PUAFLKIQYHOBDC-GFCCVEGCSA-N 2 0 304.413 2.845 20 0 DFADRP C[C@@H](CCCC[NH3+])[NH2+]Cc1cc(O)ccc1Br ZINC000415017485 428491710 /nfs/dbraw/zinc/49/17/10/428491710.db2.gz RZDWHRLWJUGLFZ-JTQLQIEISA-N 2 0 301.228 2.762 20 0 DFADRP Cc1nn(-c2cccc(F)c2)cc1C[NH2+][C@H](C)CCCC[NH3+] ZINC000415020262 428491824 /nfs/dbraw/zinc/49/18/24/428491824.db2.gz WVSWLLYHIZUWFY-CYBMUJFWSA-N 2 0 304.413 2.927 20 0 DFADRP C[C@H](NC[C@@H]1CC[N@H+](Cc2ccccc2)C1)[C@H]1CCCC[NH2+]1 ZINC000395213873 428492489 /nfs/dbraw/zinc/49/24/89/428492489.db2.gz WCWHXBCZNOWNRV-YTQUADARSA-N 2 0 301.478 2.629 20 0 DFADRP C[C@H](NC[C@@H]1CC[N@H+](Cc2ccccc2)C1)[C@@H]1CCCC[NH2+]1 ZINC000395213866 428492600 /nfs/dbraw/zinc/49/26/00/428492600.db2.gz WCWHXBCZNOWNRV-WDSOQIARSA-N 2 0 301.478 2.629 20 0 DFADRP c1ccc(C2CCC(C[NH2+]C[C@@H]3C[NH2+]CCCO3)CC2)cc1 ZINC000415031364 428492754 /nfs/dbraw/zinc/49/27/54/428492754.db2.gz DVXBFUNUQFBIKA-KVZIAJEVSA-N 2 0 302.462 2.929 20 0 DFADRP [NH3+]C[C@@H]1CC[C@@H]([NH2+]Cc2ccc(OCC(F)(F)F)c(F)c2)C1 ZINC000415029593 428493022 /nfs/dbraw/zinc/49/30/22/428493022.db2.gz DYRQPUWXWIYFAK-ZYHUDNBSSA-N 2 0 320.330 2.984 20 0 DFADRP CC(=O)Nc1ccc(C[N@@H+]2CCCC[C@H]2[C@@H]2CC[NH2+]C2)cc1 ZINC000415036695 428495656 /nfs/dbraw/zinc/49/56/56/428495656.db2.gz GCNRHWRLTDZIAS-AEFFLSMTSA-N 2 0 301.434 2.609 20 0 DFADRP CCc1nn(C)c(CC)c1C[N@@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000415037622 428496360 /nfs/dbraw/zinc/49/63/60/428496360.db2.gz GWIYWSBUUGKYPW-KSSFIOAISA-N 2 0 304.482 2.509 20 0 DFADRP C[C@H](CCCC(F)(F)F)[NH2+]C1CCC([NH+]2CCNCC2)CC1 ZINC000415044209 428497569 /nfs/dbraw/zinc/49/75/69/428497569.db2.gz APSNYXUPDDNWNZ-WLYUNCDWSA-N 2 0 321.431 2.914 20 0 DFADRP CCc1ccccc1NC(=O)C[C@H](C)[NH2+][C@@H]1CC[C@@H](C[NH3+])C1 ZINC000415046393 428498107 /nfs/dbraw/zinc/49/81/07/428498107.db2.gz VENQMKQOSXBTLS-SQWLQELKSA-N 2 0 303.450 2.683 20 0 DFADRP CCOc1c(Cl)cc(C[NH2+][C@H]2CC[C@@H](C[NH3+])C2)cc1OC ZINC000415047351 428498460 /nfs/dbraw/zinc/49/84/60/428498460.db2.gz VXJNTWADBSFFJN-YPMHNXCESA-N 2 0 312.841 2.964 20 0 DFADRP CCOc1cccc(C[NH2+][C@H]2CC[C@H](C[NH3+])C2)c1OC(F)F ZINC000415040726 428498765 /nfs/dbraw/zinc/49/87/65/428498765.db2.gz PFLQZVCLXLCTBF-AAEUAGOBSA-N 2 0 314.376 2.904 20 0 DFADRP [NH3+]C[C@H]1CC[C@H]([NH2+]Cc2cnn(-c3ccc(Cl)cc3)c2)C1 ZINC000415041881 428498896 /nfs/dbraw/zinc/49/88/96/428498896.db2.gz QGAYSLQNDWYPHP-WFASDCNBSA-N 2 0 304.825 2.743 20 0 DFADRP CC[C@@H]([NH2+]CCC[N@@H+]1CCCC[C@@H]1C)C1(C(=O)OC)CCC1 ZINC000353357630 428499483 /nfs/dbraw/zinc/49/94/83/428499483.db2.gz WJKGRJTUDLZRBE-JKSUJKDBSA-N 2 0 310.482 2.962 20 0 DFADRP Cc1cccc(NC(=O)C[C@H](C)[NH2+][C@H]2CC[C@H](C[NH3+])C2)c1C ZINC000415050803 428499728 /nfs/dbraw/zinc/49/97/28/428499728.db2.gz YUWIVFVCUTTYKI-BPUTZDHNSA-N 2 0 303.450 2.738 20 0 DFADRP C[C@H](Cc1c(Cl)cccc1Cl)[NH2+]C[C@@H]1C[NH2+]CCCO1 ZINC000415048319 428499801 /nfs/dbraw/zinc/49/98/01/428499801.db2.gz XDHBQJFDZOGFPT-NEPJUHHUSA-N 2 0 317.260 2.893 20 0 DFADRP C[C@H](Cc1c(Cl)cccc1Cl)[NH2+]C[C@H]1C[NH2+]CCCO1 ZINC000415048328 428500067 /nfs/dbraw/zinc/50/00/67/428500067.db2.gz XDHBQJFDZOGFPT-VXGBXAGGSA-N 2 0 317.260 2.893 20 0 DFADRP CCc1ccc(C[NH2+]C2CCC([NH+]3CCNCC3)CC2)cc1 ZINC000415052889 428500446 /nfs/dbraw/zinc/50/04/46/428500446.db2.gz LXHCWRJSNBRMOU-UHFFFAOYSA-N 2 0 301.478 2.555 20 0 DFADRP COc1ccc(C)cc1C[N@H+](C)CC1CC[NH+](C[C@@H](C)O)CC1 ZINC000353361366 428501017 /nfs/dbraw/zinc/50/10/17/428501017.db2.gz UFQXHHHNSOFXHC-MRXNPFEDSA-N 2 0 320.477 2.528 20 0 DFADRP Clc1cccc(C[NH2+]C2CCC([NH+]3CCNCC3)CC2)c1 ZINC000415048904 428501380 /nfs/dbraw/zinc/50/13/80/428501380.db2.gz GNUDWJFNOLLMPV-UHFFFAOYSA-N 2 0 307.869 2.646 20 0 DFADRP C1CC1[C@H]1CCCC[C@H]1[NH2+]C1CCC([NH+]2CCNCC2)CC1 ZINC000415058099 428502905 /nfs/dbraw/zinc/50/29/05/428502905.db2.gz SJHMCJFJHDTVBO-CSODTCANSA-N 2 0 305.510 2.761 20 0 DFADRP CC[NH2+]CC1CC[NH+](Cc2cnc([C@@H]3CCCO3)s2)CC1 ZINC000347227858 428502991 /nfs/dbraw/zinc/50/29/91/428502991.db2.gz WPGZVAIYSRHEON-HNNXBMFYSA-N 2 0 309.479 2.816 20 0 DFADRP COc1ccc(C[N@@H+]2CCCC[C@@H]2[C@H]2CC[NH2+]C2)cc1OC ZINC000415057041 428503712 /nfs/dbraw/zinc/50/37/12/428503712.db2.gz SYTGHBBOAUABHK-JKSUJKDBSA-N 2 0 304.434 2.668 20 0 DFADRP C[C@@H]([NH2+]C1CCC([NH+]2CCNCC2)CC1)[C@@H](C)c1ccccc1 ZINC000415055804 428503997 /nfs/dbraw/zinc/50/39/97/428503997.db2.gz OUZQSLARCOYEKK-NXMBOHNASA-N 2 0 315.505 2.985 20 0 DFADRP C[C@H](O)C[NH+]1CCC(C[N@H+](C)C[C@H]2C[C@H]2c2ccccc2)CC1 ZINC000353364673 428504146 /nfs/dbraw/zinc/50/41/46/428504146.db2.gz OMCWTWNPTUCHTL-DBVUQKKJSA-N 2 0 316.489 2.815 20 0 DFADRP Cc1ccc([C@H](C)[NH2+][C@@H](CC(C)C)C(=O)NCC[NH+](C)C)cc1 ZINC000347234447 428504918 /nfs/dbraw/zinc/50/49/18/428504918.db2.gz RPYBFWNTHAOVGW-WMZOPIPTSA-N 2 0 319.493 2.738 20 0 DFADRP CC(C)c1ncc(C[NH2+]C2CCC(N3CC[NH2+]CC3)CC2)s1 ZINC000415061877 428506147 /nfs/dbraw/zinc/50/61/47/428506147.db2.gz YZAIKRIUEUAPEZ-UHFFFAOYSA-N 2 0 322.522 2.573 20 0 DFADRP CC(C)N(C)c1ccc(C[N@@H+]2CCCC[C@@H]2[C@H]2CC[NH2+]C2)cn1 ZINC000415060867 428507639 /nfs/dbraw/zinc/50/76/39/428507639.db2.gz ZBWVRUBTIXRDEO-ZWKOTPCHSA-N 2 0 316.493 2.890 20 0 DFADRP C[C@@H](c1ccncc1)N1CCC([NH2+]C[C@@H]2CC[NH2+][C@H](C)C2)CC1 ZINC000415075512 428508825 /nfs/dbraw/zinc/50/88/25/428508825.db2.gz BPYKTLGZZUNTMJ-IXDOHACOSA-N 2 0 316.493 2.585 20 0 DFADRP Cc1cc(C[NH2+]CC2CC[NH+](Cc3ccccc3)CC2)n(C)n1 ZINC000397498565 428511585 /nfs/dbraw/zinc/51/15/85/428511585.db2.gz DQDRQVHYFXNQJT-UHFFFAOYSA-N 2 0 312.461 2.730 20 0 DFADRP CC[NH+](CC)[C@H](C(=O)N[C@H]1CC[N@H+](C)[C@@H](C)C1)c1ccccc1 ZINC000357391155 428511990 /nfs/dbraw/zinc/51/19/90/428511990.db2.gz LNOBPASBDRFTME-SZMVWBNQSA-N 2 0 317.477 2.668 20 0 DFADRP C[C@H]([NH2+]C[C@@H]1CC[NH2+][C@H](C)C1)c1noc(-c2ccccc2)n1 ZINC000415090854 428516315 /nfs/dbraw/zinc/51/63/15/428516315.db2.gz PKROYCUWDSRHSF-HZSPNIEDSA-N 2 0 300.406 2.775 20 0 DFADRP C[C@@H](c1ccncc1)N1CCC([NH2+]C2CCC(C[NH3+])CC2)CC1 ZINC000415085533 428516724 /nfs/dbraw/zinc/51/67/24/428516724.db2.gz QUAJOAWRULRKAP-HJOIGYKYSA-N 2 0 316.493 2.714 20 0 DFADRP Fc1cc(Br)cc(C[NH2+]C[C@H]2CCC[NH2+]C2)c1 ZINC000415085426 428516985 /nfs/dbraw/zinc/51/69/85/428516985.db2.gz QOANZIQVAXFXJC-JTQLQIEISA-N 2 0 301.203 2.677 20 0 DFADRP C[C@@]1(C[NH2+]C2CCN(Cc3ccc(F)c(F)c3)CC2)CC[NH2+]C1 ZINC000415097741 428519149 /nfs/dbraw/zinc/51/91/49/428519149.db2.gz DIMQKMBCIRWKPP-GOSISDBHSA-N 2 0 323.431 2.518 20 0 DFADRP [NH3+][C@H]1CCCO[C@H]1C1CC[NH+](Cc2cccc(F)c2F)CC1 ZINC000415110105 428525131 /nfs/dbraw/zinc/52/51/31/428525131.db2.gz OXIXDQWLIDPKKS-RDJZCZTQSA-N 2 0 310.388 2.683 20 0 DFADRP Fc1ccc(/C=C\C[N@@H+]2CC3(CC[NH2+]CC3)[C@@H]3COC[C@@H]32)cc1 ZINC000415133003 428532056 /nfs/dbraw/zinc/53/20/56/428532056.db2.gz BOWJLWXPAVYHRM-ZSCXUVNLSA-N 2 0 316.420 2.539 20 0 DFADRP CC[NH+]1CCN(c2ccc(NCC[NH2+]C(C)(C)C)c(C)c2)CC1 ZINC000415122904 428528878 /nfs/dbraw/zinc/52/88/78/428528878.db2.gz OQQFBBDIXGEHEC-UHFFFAOYSA-N 2 0 318.509 2.937 20 0 DFADRP C[C@H]1CC[N@H+](Cc2ccc(-c3cnn(C)c3)s2)C[C@H]1C[NH3+] ZINC000415123729 428530284 /nfs/dbraw/zinc/53/02/84/428530284.db2.gz JOKRTKNPTAONIW-QWHCGFSZSA-N 2 0 304.463 2.565 20 0 DFADRP CN(Cc1cnn(-c2ccc(F)cc2)c1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000347155348 428471156 /nfs/dbraw/zinc/47/11/56/428471156.db2.gz CSSGXIZAQMLUGY-BYICEURKSA-N 2 0 314.408 2.726 20 0 DFADRP C[C@@H](Cc1ccccc1Br)[NH2+]C[C@@H]1CCC[NH2+]C1 ZINC000415124845 428530493 /nfs/dbraw/zinc/53/04/93/428530493.db2.gz RRDPOEUNSDDMTP-QWHCGFSZSA-N 2 0 311.267 2.969 20 0 DFADRP Cc1ccc(F)cc1C[NH+]1CCC([C@@H]2C[C@@H]([NH3+])CCO2)CC1 ZINC000415122014 428530525 /nfs/dbraw/zinc/53/05/25/428530525.db2.gz JBRBOZNMNFBXEC-ROUUACIJSA-N 2 0 306.425 2.852 20 0 DFADRP C[C@@H]1C[C@@H](NC2CC[NH+](CCc3ccc(F)cc3)CC2)CC[NH2+]1 ZINC000414955102 428472458 /nfs/dbraw/zinc/47/24/58/428472458.db2.gz UAZOILLMQWZPKZ-BEFAXECRSA-N 2 0 319.468 2.563 20 0 DFADRP Cc1cc(C[NH2+][C@@H]2CC[NH2+]C[C@H]2C)sc1Br ZINC000414953813 428473319 /nfs/dbraw/zinc/47/33/19/428473319.db2.gz KDRHQTWTMIEIEK-MWLCHTKSSA-N 2 0 303.269 2.907 20 0 DFADRP COC[C@]1(C[NH2+][C@@H]2CCC[C@H]2c2ccc(F)cc2)CCC[NH2+]1 ZINC000414956786 428473582 /nfs/dbraw/zinc/47/35/82/428473582.db2.gz PAWSXTYKOGRZQD-RCCFBDPRSA-N 2 0 306.425 2.820 20 0 DFADRP c1cc(N2CCCC2)ncc1C[NH+]1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000347157123 428474366 /nfs/dbraw/zinc/47/43/66/428474366.db2.gz FEKGRDBDISZBFI-GOSISDBHSA-N 2 0 314.477 2.646 20 0 DFADRP CN(C(=O)CCC(C)(C)[NH3+])C1CC[NH+](Cc2ccccc2)CC1 ZINC000390797906 428475505 /nfs/dbraw/zinc/47/55/05/428475505.db2.gz LIUJIQAISGMEIG-UHFFFAOYSA-N 2 0 317.477 2.627 20 0 DFADRP COCC1(C[NH2+]Cc2ccccc2C(F)(F)F)CC[NH2+]CC1 ZINC000414964436 428475717 /nfs/dbraw/zinc/47/57/17/428475717.db2.gz YMMNJAGDMZNGRI-UHFFFAOYSA-N 2 0 316.367 2.811 20 0 DFADRP C[C@H](CNC(=O)CC1(C[NH3+])CCCCC1)[N@@H+]1CCCC[C@@H]1C ZINC000361612877 428581689 /nfs/dbraw/zinc/58/16/89/428581689.db2.gz XZUAIVVZESKPIZ-JKSUJKDBSA-N 2 0 309.498 2.665 20 0 DFADRP COc1ccccc1O[C@H](C)C[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@@H]21 ZINC000353530475 428582108 /nfs/dbraw/zinc/58/21/08/428582108.db2.gz SRBUXTNPPDOTMP-QBPKDAKJSA-N 2 0 318.461 2.925 20 0 DFADRP CC[NH+](CC)CCN(CC(C)C)C(=O)C[C@@H]1CCC[NH2+]CC1 ZINC000373514753 428594993 /nfs/dbraw/zinc/59/49/93/428594993.db2.gz HZJHTPFUQYVEIB-QGZVFWFLSA-N 2 0 311.514 2.593 20 0 DFADRP CC1CC[NH+](C2CCC([NH2+][C@@H]3CCN(C)C[C@H]3C)CC2)CC1 ZINC000358249985 428590388 /nfs/dbraw/zinc/59/03/88/428590388.db2.gz KOILYRAPPAHLRE-LWSMDNFKSA-N 2 0 307.526 2.959 20 0 DFADRP CSC1(C[NH2+][C@@H](C)Cc2ccc(O)cc2)CC[NH+](C)CC1 ZINC000353553241 428590990 /nfs/dbraw/zinc/59/09/90/428590990.db2.gz CHGJKQFXYYDTRY-AWEZNQCLSA-N 2 0 308.491 2.740 20 0 DFADRP CC(C)[C@H](C(=O)NC[C@H](c1ccccc1)[NH+]1CCCC1)[C@@H](C)[NH3+] ZINC000399390332 428539156 /nfs/dbraw/zinc/53/91/56/428539156.db2.gz RZZSZPYBQUPREV-NXHRZFHOSA-N 2 0 317.477 2.559 20 0 DFADRP CC(C)[C@@H](C(=O)NCC1([NH+]2CCCCC2)CCCCC1)[C@@H](C)[NH3+] ZINC000399391449 428539522 /nfs/dbraw/zinc/53/95/22/428539522.db2.gz SNCPFTMSNGQZNB-IAGOWNOFSA-N 2 0 323.525 2.911 20 0 DFADRP C[N@@H+]1CCCC[C@@H]1CC[NH+]1C[C@H](CO)[C@@H](c2ccsc2)C1 ZINC000347315592 428541963 /nfs/dbraw/zinc/54/19/63/428541963.db2.gz QDEVFZWRDMJIJH-BRWVUGGUSA-N 2 0 308.491 2.630 20 0 DFADRP C[C@H](C[NH2+][C@@H](C)c1ccccc1-n1ccnn1)C[NH+]1CCCC1 ZINC000353456321 428544506 /nfs/dbraw/zinc/54/45/06/428544506.db2.gz VIXWVUUJFQCUMN-CVEARBPZSA-N 2 0 313.449 2.650 20 0 DFADRP C[C@H](N[C@@H]1CC[N@H+](Cc2ccccc2)CC1(C)C)[C@H]1CC[NH2+]C1 ZINC000400331273 428544604 /nfs/dbraw/zinc/54/46/04/428544604.db2.gz DQPVUKJYFKVDCN-YTQUADARSA-N 2 0 315.505 2.875 20 0 DFADRP CN(C)[C@H](C[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@H]21)c1ccc(F)cc1 ZINC000353454990 428545137 /nfs/dbraw/zinc/54/51/37/428545137.db2.gz NBWYLIVALMNSSD-WJFTUGDTSA-N 2 0 319.468 2.891 20 0 DFADRP C[C@H](CC[NH+](C)C)[NH2+][C@H](C)[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000400467580 428546102 /nfs/dbraw/zinc/54/61/02/428546102.db2.gz WQBDYFZCKTZTKX-KFWWJZLASA-N 2 0 313.486 2.704 20 0 DFADRP CC[C@@H]1[NH2+]CC[C@H]1C(=O)NCc1ccc(C[NH+](CC)CC)cc1 ZINC000353462062 428548752 /nfs/dbraw/zinc/54/87/52/428548752.db2.gz BUTDHUIABIOXBU-MSOLQXFVSA-N 2 0 317.477 2.533 20 0 DFADRP C[C@@H](N[C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1)[C@@H]1CCC[NH2+]1 ZINC000400758905 428549023 /nfs/dbraw/zinc/54/90/23/428549023.db2.gz XRYILYJTMLCWTA-NBMJBFSESA-N 2 0 301.478 2.627 20 0 DFADRP Brc1ccc(C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)s1 ZINC000401017400 428550103 /nfs/dbraw/zinc/55/01/03/428550103.db2.gz OWBQFLSLILCFMK-GARJFASQSA-N 2 0 315.280 2.988 20 0 DFADRP Brc1ccc(CC[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC000401110081 428550593 /nfs/dbraw/zinc/55/05/93/428550593.db2.gz GKXQYWFQAGRNRY-IJEWVQPXSA-N 2 0 323.278 2.969 20 0 DFADRP COCCOc1ccccc1C[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@@H]21 ZINC000353465822 428550915 /nfs/dbraw/zinc/55/09/15/428550915.db2.gz ZLDCRVUWTKJLMC-KURKYZTESA-N 2 0 318.461 2.674 20 0 DFADRP Brc1ccc(C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000401059350 428551243 /nfs/dbraw/zinc/55/12/43/428551243.db2.gz WLDHZXCJJVGNCU-UMVBOHGHSA-N 2 0 309.251 2.927 20 0 DFADRP COc1ccc([C@H](C)[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)c(OC)c1 ZINC000400958859 428551494 /nfs/dbraw/zinc/55/14/94/428551494.db2.gz KIQRKESOYPBRLW-GBJTYRQASA-N 2 0 304.434 2.743 20 0 DFADRP CC[N@@H+]1CC[C@H]([NH2+][C@H]2CCc3cnn(C(C)C)c3C2)[C@H](C)C1 ZINC000357597068 428551614 /nfs/dbraw/zinc/55/16/14/428551614.db2.gz GCIWRLIZTFKUMR-PVAVHDDUSA-N 2 0 304.482 2.641 20 0 DFADRP C[N@@H+]1CC[C@H]([NH2+]C2CCN(c3ccccn3)CC2)[C@H]2CCC[C@@H]21 ZINC000353465206 428551680 /nfs/dbraw/zinc/55/16/80/428551680.db2.gz WGIIQFBYQYPRRG-SQNIBIBYSA-N 2 0 314.477 2.513 20 0 DFADRP C[C@@H]1CN(Cc2ccccc2)C[C@@H]1[NH2+][C@H](CO)C1CCCC1 ZINC000353476735 428554706 /nfs/dbraw/zinc/55/47/06/428554706.db2.gz ATWZXCQIVHKNDD-AYOQOUSVSA-N 2 0 302.462 2.648 20 0 DFADRP COCC1(C[NH+]2CCC(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)CCC1 ZINC000361299542 428554768 /nfs/dbraw/zinc/55/47/68/428554768.db2.gz NLTYSWVWFRPTIZ-CALCHBBNSA-N 2 0 324.509 2.624 20 0 DFADRP COCC1(C[NH+]2CCC(C[NH+]3C[C@@H](C)O[C@H](C)C3)CC2)CCC1 ZINC000361299543 428555155 /nfs/dbraw/zinc/55/51/55/428555155.db2.gz NLTYSWVWFRPTIZ-IAGOWNOFSA-N 2 0 324.509 2.624 20 0 DFADRP CCC[C@@](C)(CC)C(=O)N(C)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000373503519 428594193 /nfs/dbraw/zinc/59/41/93/428594193.db2.gz SGAJEPJEIMDKJI-PKOBYXMFSA-N 2 0 323.525 2.830 20 0 DFADRP C[C@H]1CCC[N@H+](CCC(=O)Nc2ccccc2F)[C@@H]1CC[NH3+] ZINC000404287499 428566968 /nfs/dbraw/zinc/56/69/68/428566968.db2.gz ITFIGQWOZKVERA-XJKSGUPXSA-N 2 0 307.413 2.604 20 0 DFADRP CCN(C(=O)C[N@@H+]1CCC[C@H](C)[C@H]1CC[NH3+])C1CCCCC1 ZINC000404371339 428568800 /nfs/dbraw/zinc/56/88/00/428568800.db2.gz QZSMXZPGERYQLI-DOTOQJQBSA-N 2 0 309.498 2.617 20 0 DFADRP COc1cc(C[N@@H+]2CCC[C@@H](C)[C@H]2CC[NH3+])cc(OC)c1OC ZINC000404453838 428570961 /nfs/dbraw/zinc/57/09/61/428570961.db2.gz ZZHFAHSFIPWKDR-UKRRQHHQSA-N 2 0 322.449 2.662 20 0 DFADRP CCC[NH+]1CCC(NC(=O)[C@@H](c2ccccc2)[N@H+](C)CC)CC1 ZINC000343825841 428575788 /nfs/dbraw/zinc/57/57/88/428575788.db2.gz JOHJVESUPFSZDF-GOSISDBHSA-N 2 0 317.477 2.670 20 0 DFADRP CC[C@H]([NH2+]CCC[N@@H+]1CCC[C@H](C(N)=O)C1)c1cccc(C)c1 ZINC000353522961 428576509 /nfs/dbraw/zinc/57/65/09/428576509.db2.gz SZAZQMUDYZOOFA-ROUUACIJSA-N 2 0 317.477 2.623 20 0 DFADRP C[N@H+](CC1CC1)C[C@H]1CC[NH+](C[C@H](O)CCc2ccccc2)C1 ZINC000347436928 428576913 /nfs/dbraw/zinc/57/69/13/428576913.db2.gz KNQXOJPCJVLYGI-WOJBJXKFSA-N 2 0 316.489 2.644 20 0 DFADRP CC(C)[N@@H+](C)C[C@@H](C)N[C@@H]1C[NH+](Cc2ccccc2)C[C@H]1C ZINC000353568732 428599039 /nfs/dbraw/zinc/59/90/39/428599039.db2.gz BJGFUZSIXBIKMA-ZHALLVOQSA-N 2 0 303.494 2.825 20 0 DFADRP COc1ccccc1/C=C/C[NH+]1CCC(OCC[NH+](C)C)CC1 ZINC000353571914 428600686 /nfs/dbraw/zinc/60/06/86/428600686.db2.gz JBLDOYUFDVCCPC-SOFGYWHQSA-N 2 0 318.461 2.751 20 0 DFADRP C[C@@H](N[C@H]1C[N@@H+](C2CC2)C[C@H]1C)[C@H]1CCC[NH+](C2CCC2)C1 ZINC000358464556 428602466 /nfs/dbraw/zinc/60/24/66/428602466.db2.gz DYIMYPPGYCVZMH-JEWRLFTDSA-N 2 0 305.510 2.712 20 0 DFADRP CCC1(C[NH2+]CCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CCOCC1 ZINC000358482811 428604500 /nfs/dbraw/zinc/60/45/00/428604500.db2.gz LCTBYPGKPVOIHP-CALCHBBNSA-N 2 0 312.498 2.672 20 0 DFADRP C[NH+](C)C1CCC([NH2+]C2CCN(c3nccs3)CC2)CC1 ZINC000353586885 428609029 /nfs/dbraw/zinc/60/90/29/428609029.db2.gz YAJLAOKYXAHEHF-UHFFFAOYSA-N 2 0 308.495 2.574 20 0 DFADRP C[C@H](CNC(=O)C1(C[NH+](C)C)CCCCC1)[NH+]1CCC(C)CC1 ZINC000358628537 428613022 /nfs/dbraw/zinc/61/30/22/428613022.db2.gz KXPOMUWDTFMWAV-QGZVFWFLSA-N 2 0 323.525 2.735 20 0 DFADRP CN(CCC[N@H+](C)[C@@H]1CCc2ccc(F)cc21)CC[NH+](C)C ZINC000344033735 428614872 /nfs/dbraw/zinc/61/48/72/428614872.db2.gz QCSFNPLJKIWKTK-GOSISDBHSA-N 2 0 307.457 2.628 20 0 DFADRP C[NH2+]Cc1ccccc1NC(=O)NC[C@@H](C)[N@@H+]1CCCC[C@@H]1C ZINC000415896633 428619018 /nfs/dbraw/zinc/61/90/18/428619018.db2.gz DRGFRAFZMOYBOV-LSDHHAIUSA-N 2 0 318.465 2.790 20 0 DFADRP O[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+][C@@H]2CCC[C@@H]2CCF)CC1 ZINC000353611724 428619365 /nfs/dbraw/zinc/61/93/65/428619365.db2.gz FAKRDBCUZVVCKR-NRSFXHEJSA-N 2 0 312.473 2.872 20 0 DFADRP CC[NH2+]Cc1cccc(NC(=O)N(C)C[C@H]2CCC[N@H+](C)C2)c1 ZINC000415901516 428619673 /nfs/dbraw/zinc/61/96/73/428619673.db2.gz BWESMNFBXWJXKX-INIZCTEOSA-N 2 0 318.465 2.602 20 0 DFADRP CCC[NH+]1CCC(NC(=O)Nc2cccc(C[NH2+]CC)c2)CC1 ZINC000415906714 428621692 /nfs/dbraw/zinc/62/16/92/428621692.db2.gz LJQTYDQHDPOVJD-UHFFFAOYSA-N 2 0 318.465 2.792 20 0 DFADRP C[NH2+]Cc1ccccc1NC(=O)N(CC[NH+](C)C)C1CCCC1 ZINC000415913810 428624090 /nfs/dbraw/zinc/62/40/90/428624090.db2.gz RPIGNIFLIHRTPW-UHFFFAOYSA-N 2 0 318.465 2.744 20 0 DFADRP CC[NH2+]Cc1cccc(NC(=O)NCC[C@@H]2CCC[N@H+](C)C2)c1 ZINC000415912138 428624131 /nfs/dbraw/zinc/62/41/31/428624131.db2.gz BFKJTKLRHAENMT-HNNXBMFYSA-N 2 0 318.465 2.650 20 0 DFADRP CC[NH2+]Cc1cccc(NC(=O)N(C)C[C@@H]2CCC[N@@H+]2CC)c1 ZINC000415910385 428624824 /nfs/dbraw/zinc/62/48/24/428624824.db2.gz VSWOHJSLCLVSJG-KRWDZBQOSA-N 2 0 318.465 2.744 20 0 DFADRP CCCC[NH+]1CCC(NC(=O)Nc2ccccc2C[NH2+]C)CC1 ZINC000415911027 428625047 /nfs/dbraw/zinc/62/50/47/428625047.db2.gz IWBAZLUONFXZBZ-UHFFFAOYSA-N 2 0 318.465 2.792 20 0 DFADRP C[NH2+]Cc1ccccc1NC(=O)NC[C@H]1CCC[N@@H+]1CC(C)C ZINC000415913950 428625503 /nfs/dbraw/zinc/62/55/03/428625503.db2.gz SPUMWKHQEMUCGC-MRXNPFEDSA-N 2 0 318.465 2.648 20 0 DFADRP CC[NH2+]Cc1cccc(NC(=O)N[C@@H](C)C[N@H+](C)C(C)C)c1 ZINC000415929330 428629661 /nfs/dbraw/zinc/62/96/61/428629661.db2.gz GTZTUVFKKBBGQM-AWEZNQCLSA-N 2 0 306.454 2.646 20 0 DFADRP CC[NH2+]Cc1ccccc1NC(=O)NC[C@@H](C)C[NH+]1CCCC1 ZINC000415943753 428633205 /nfs/dbraw/zinc/63/32/05/428633205.db2.gz MWVVWOLPOINBKD-OAHLLOKOSA-N 2 0 318.465 2.650 20 0 DFADRP CC[NH2+]Cc1ccccc1NC(=O)NCC[N@H+](C)[C@@H](C)CC ZINC000415938886 428633514 /nfs/dbraw/zinc/63/35/14/428633514.db2.gz BJUKYECIQQRUDA-AWEZNQCLSA-N 2 0 306.454 2.648 20 0 DFADRP COCCC[NH+]1CCC([NH2+][C@H]2CCc3c2cccc3F)CC1 ZINC000268852721 274019950 /nfs/dbraw/zinc/01/99/50/274019950.db2.gz PLDAMNIDSRGVHW-SFHVURJKSA-N 2 0 306.425 2.904 20 0 DFADRP C[C@@H]1C[C@H]([NH2+]CC2CC[NH+](C)CC2)CCN1Cc1ccccc1 ZINC000358711939 428637609 /nfs/dbraw/zinc/63/76/09/428637609.db2.gz DSFYQRWAVMORPY-YLJYHZDGSA-N 2 0 315.505 2.971 20 0 DFADRP CCC(CC)[C@@H](CNC(=O)Nc1ccc(C[NH2+]C)cc1)[NH+](C)C ZINC000415973955 428640228 /nfs/dbraw/zinc/64/02/28/428640228.db2.gz PVPWOBXPJSJVOJ-QGZVFWFLSA-N 2 0 320.481 2.894 20 0 DFADRP C[NH2+]Cc1ccc(NC(=O)NCCC[NH+]2CCC(C)CC2)cc1 ZINC000415988876 428642924 /nfs/dbraw/zinc/64/29/24/428642924.db2.gz JQANQHVXGBMHAB-UHFFFAOYSA-N 2 0 318.465 2.650 20 0 DFADRP CC[NH2+]Cc1ccccc1NC(=O)N(C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000415956787 428635381 /nfs/dbraw/zinc/63/53/81/428635381.db2.gz OQVJLMYAMOPQIP-GOEBONIOSA-N 2 0 318.465 2.743 20 0 DFADRP COc1cc2c(cc1F)[nH+]ccc2N1CC[C@H]2CC[N@H+](C)[C@@H]2C1 ZINC000368448438 274101745 /nfs/dbraw/zinc/10/17/45/274101745.db2.gz AKWLBHHCWQRWRL-SJKOYZFVSA-N 2 0 315.392 2.913 20 0 DFADRP C[C@H]1CCCC[N@@H+]1CCCCNC(=O)[C@H](C1CC1)[NH+]1CCCC1 ZINC000353659757 428644886 /nfs/dbraw/zinc/64/48/86/428644886.db2.gz QOUOZBUCFVLJKB-WMZOPIPTSA-N 2 0 321.509 2.632 20 0 DFADRP CC1=C[C@@H](C)C[C@H](C[NH2+]CC(=O)NCC[NH+]2CCCCCC2)C1 ZINC000353668724 428648725 /nfs/dbraw/zinc/64/87/25/428648725.db2.gz ABKCOUUBALTORF-AEFFLSMTSA-N 2 0 321.509 2.561 20 0 DFADRP CC1=C[C@H](C)C[C@@H](C[NH2+]CC(=O)NCC[NH+]2CCCCCC2)C1 ZINC000353668725 428649734 /nfs/dbraw/zinc/64/97/34/428649734.db2.gz ABKCOUUBALTORF-FUHWJXTLSA-N 2 0 321.509 2.561 20 0 DFADRP c1cc(COc2ccc(CN3C[C@H]4CCC[NH2+][C@@H]4C3)cc2)ccn1 ZINC000353690901 428659828 /nfs/dbraw/zinc/65/98/28/428659828.db2.gz SIHNUSWSXOAGNU-UYAOXDASSA-N 2 0 323.440 2.844 20 0 DFADRP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)NCCCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000344505869 428668931 /nfs/dbraw/zinc/66/89/31/428668931.db2.gz BCNSVOJCOCVNPZ-TVFCKZIOSA-N 2 0 323.525 2.734 20 0 DFADRP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)NCCCC[NH+]1C[C@H](C)C[C@H](C)C1 ZINC000344505870 428670622 /nfs/dbraw/zinc/67/06/22/428670622.db2.gz BCNSVOJCOCVNPZ-USTZCAOPSA-N 2 0 323.525 2.734 20 0 DFADRP C[C@@H]1CN(Cc2ccccc2)C[C@@H]1[NH2+]C[C@@H](O)Cc1ccccc1 ZINC000348297693 428696795 /nfs/dbraw/zinc/69/67/95/428696795.db2.gz CEHAHAZXXGLWKK-QMMLZNLJSA-N 2 0 324.468 2.700 20 0 DFADRP CC[NH+]1CCN(c2ccccc2C[NH2+]C[C@@H](OC)C(C)C)CC1 ZINC000344715896 428698753 /nfs/dbraw/zinc/69/87/53/428698753.db2.gz PHGYGCNJJPQFMH-LJQANCHMSA-N 2 0 319.493 2.589 20 0 DFADRP CC[NH+](CC)C[C@@H]1CCN(C(=O)[C@@H](C(C)C)[NH+]2CCCCC2)C1 ZINC000362312200 428699061 /nfs/dbraw/zinc/69/90/61/428699061.db2.gz HZRDIXVNUPZHKD-ZWKOTPCHSA-N 2 0 323.525 2.687 20 0 DFADRP CC(C)CSCC[NH2+][C@@H]1CC[N@H+](C[C@@H]2CCCO2)C[C@@H]1C ZINC000362310688 428699647 /nfs/dbraw/zinc/69/96/47/428699647.db2.gz UZYVQXQOFKXYFN-YESZJQIVSA-N 2 0 314.539 2.855 20 0 DFADRP C[N@@H+]1CCC[C@@H]1CCN1C[C@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000348305998 428700866 /nfs/dbraw/zinc/70/08/66/428700866.db2.gz LLCFWVXAOKAFPH-SLFFLAALSA-N 2 0 313.489 2.535 20 0 DFADRP CSC1(C[NH+]2C[C@@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)CC1 ZINC000348362741 428720651 /nfs/dbraw/zinc/72/06/51/428720651.db2.gz ZHTDUBCIWKSCGJ-IRXDYDNUSA-N 2 0 302.487 2.946 20 0 DFADRP C[N@@H+]1CCCC[C@H]1CCN1CCC[C@@H](C(=O)OC(C)(C)C)C1 ZINC000362252236 428676842 /nfs/dbraw/zinc/67/68/42/428676842.db2.gz WIAPZLNKQFAEHL-CVEARBPZSA-N 2 0 310.482 2.915 20 0 DFADRP CC(C)[C@@H]([NH3+])C(=O)Nc1cccc(CC[NH+]2CCC(C)CC2)c1 ZINC000353738401 428686714 /nfs/dbraw/zinc/68/67/14/428686714.db2.gz ADCQSMPZOIYLCL-GOSISDBHSA-N 2 0 317.477 2.883 20 0 DFADRP C[C@@H](C(=O)Nc1ccccc1)N1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000348275203 428690801 /nfs/dbraw/zinc/69/08/01/428690801.db2.gz ISBQCSZACRTQRE-RDJZCZTQSA-N 2 0 315.461 2.677 20 0 DFADRP CCCC[N@H+](C)C[C@H](C)NC(=O)C[C@@H](c1ccccc1)[NH+](C)C ZINC000416233979 428695948 /nfs/dbraw/zinc/69/59/48/428695948.db2.gz LJFYASYQIVXQMW-WMZOPIPTSA-N 2 0 319.493 2.916 20 0 DFADRP C[C@H]1C[N@H+](C)CCN1Cc1cccc(C[NH+]2CCCCC2)c1 ZINC000411258745 428767077 /nfs/dbraw/zinc/76/70/77/428767077.db2.gz MGHITEHKYCIKTE-KRWDZBQOSA-N 2 0 301.478 2.808 20 0 DFADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CC2(C(F)F)CC2)[C@H](C)C1 ZINC000359005914 428770149 /nfs/dbraw/zinc/77/01/49/428770149.db2.gz WYJSKEVBPUTOSM-ZIAGYGMSSA-N 2 0 304.425 2.758 20 0 DFADRP CC[NH+](CC)[C@H](C)CN[C@@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C ZINC000359018377 428775257 /nfs/dbraw/zinc/77/52/57/428775257.db2.gz MXSCIZIKIVHLMP-ZHALLVOQSA-N 2 0 318.509 2.612 20 0 DFADRP OCC[C@@H]1CC[N@H+](Cc2cccc(C[NH+]3CCCCC3)c2)C1 ZINC000411309120 428775612 /nfs/dbraw/zinc/77/56/12/428775612.db2.gz JBXJDNURTMQLSR-KRWDZBQOSA-N 2 0 302.462 2.877 20 0 DFADRP CCOC(=O)C1(C)CCC([NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)CC1 ZINC000353929418 428782063 /nfs/dbraw/zinc/78/20/63/428782063.db2.gz MECBSLUZHDPIBG-LPMVOBIJSA-N 2 0 308.466 2.715 20 0 DFADRP CC[NH+]1CCC(NC(=O)C[NH2+][C@H]2CCCC[C@@H]2C(C)(C)C)CC1 ZINC000411365051 428783526 /nfs/dbraw/zinc/78/35/26/428783526.db2.gz MTKOKKUZBPOVJM-IRXDYDNUSA-N 2 0 323.525 2.781 20 0 DFADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)[C@@H]1CCC(C)(C)C1 ZINC000359045685 428791881 /nfs/dbraw/zinc/79/18/81/428791881.db2.gz WBBJQXCHMSGWCF-MRXNPFEDSA-N 2 0 311.514 2.545 20 0 DFADRP C[C@H](CC[NH+]1C[C@@H](C)O[C@H](C)C1)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000411127037 428742073 /nfs/dbraw/zinc/74/20/73/428742073.db2.gz PGQHSZITKJQJJM-ZKXLYKBJSA-N 2 0 312.498 2.621 20 0 DFADRP OC1(CC[N@@H+]2CC[C@@]3(CC[NH+](Cc4ccccc4)C3)C2)CCC1 ZINC000411721217 428847229 /nfs/dbraw/zinc/84/72/29/428847229.db2.gz RRDLLKHYHWAHBK-LJQANCHMSA-N 2 0 314.473 2.890 20 0 DFADRP CCn1nc(C)c(CN2CC[C@H](C[N@H+](C)CC3CC3)C2)c1C ZINC000354078201 428850410 /nfs/dbraw/zinc/85/04/10/428850410.db2.gz OQSJTFYGPKFSEJ-QGZVFWFLSA-N 2 0 304.482 2.684 20 0 DFADRP COC[C@@H]([NH2+]Cc1ccc(OC2CC[NH+](C)CC2)cc1)C1CC1 ZINC000375307123 428850744 /nfs/dbraw/zinc/85/07/44/428850744.db2.gz DTDZZWJPNVPVRA-LJQANCHMSA-N 2 0 318.461 2.674 20 0 DFADRP C[C@@H]1CCOCC[NH+]1CCCCCC[N@H+]1CCOCC[C@@H]1C ZINC000374992365 428795352 /nfs/dbraw/zinc/79/53/52/428795352.db2.gz XKFPFCWVUXIULL-HDICACEKSA-N 2 0 312.498 2.768 20 0 DFADRP CC(C)[NH+](CCNC(=O)NCc1ccc([C@H](C)[NH3+])cc1)C(C)C ZINC000416805116 428800354 /nfs/dbraw/zinc/80/03/54/428800354.db2.gz KLGCHUDRNWAPEV-HNNXBMFYSA-N 2 0 320.481 2.624 20 0 DFADRP Fc1ccccc1CC[NH+]1CCC(CC[NH+]2CCOCC2)CC1 ZINC000345233934 428808885 /nfs/dbraw/zinc/80/88/85/428808885.db2.gz LPORVPQABMLJMK-UHFFFAOYSA-N 2 0 320.452 2.803 20 0 DFADRP CC[NH+]1CCC(NC(=O)C[NH2+][C@@H](C)c2c(C)cccc2C)CC1 ZINC000411526090 428810949 /nfs/dbraw/zinc/81/09/49/428810949.db2.gz LUKSDEFJZUVYHN-INIZCTEOSA-N 2 0 317.477 2.555 20 0 DFADRP CC[C@H](C[NH2+]C1CCN(CCC(F)(F)F)CC1)N1CCCC1 ZINC000359100971 428816969 /nfs/dbraw/zinc/81/69/69/428816969.db2.gz BURUONQUVIUHRM-OAHLLOKOSA-N 2 0 321.431 2.867 20 0 DFADRP CCc1ncc(C[N@H+]2CC[C@H](OCC[NH+](CC)CC)C2)s1 ZINC000354080516 428852895 /nfs/dbraw/zinc/85/28/95/428852895.db2.gz ABUNIEJDEVJTAW-AWEZNQCLSA-N 2 0 311.495 2.638 20 0 DFADRP Cc1[nH]nc2ncc(C[NH2+]C3CC(C)(C)[NH2+]C(C)(C)C3)cc12 ZINC000348718367 428820315 /nfs/dbraw/zinc/82/03/15/428820315.db2.gz NVILVBIAQPQUFI-UHFFFAOYSA-N 2 0 301.438 2.665 20 0 DFADRP CC(C)(C)CC(=O)N1CCC([NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000359119205 428826115 /nfs/dbraw/zinc/82/61/15/428826115.db2.gz WWTWATKVUMOKRM-IAGOWNOFSA-N 2 0 321.509 2.630 20 0 DFADRP C[C@@H]1[C@H](NC(=O)[C@H](c2cccc(Cl)c2)N(C)C)CCC[N@@H+]1C ZINC000345317905 428842746 /nfs/dbraw/zinc/84/27/46/428842746.db2.gz KWBNYVQXWRFOTB-WQVCFCJDSA-N 2 0 323.868 2.542 20 0 DFADRP c1cc2c(c([C@@H]3CCC[N@H+]3CCC3CC[NH2+]CC3)c1)OCCO2 ZINC000359184023 428855818 /nfs/dbraw/zinc/85/58/18/428855818.db2.gz BCIWSCXTEPURBU-KRWDZBQOSA-N 2 0 316.445 2.984 20 0 DFADRP C[C@H]1CCC[C@H](C[N@@H+]2CCCN(Cc3nccn3C)CC2)C1 ZINC000363109088 428857710 /nfs/dbraw/zinc/85/77/10/428857710.db2.gz XXDHASNOCVKXAW-IRXDYDNUSA-N 2 0 304.482 2.754 20 0 DFADRP CCN(C[C@@H]1CC[N@H+](CCC2CC[NH2+]CC2)C1)CC(F)(F)F ZINC000359196980 428861630 /nfs/dbraw/zinc/86/16/30/428861630.db2.gz AJJBIILQRFOUOZ-HNNXBMFYSA-N 2 0 321.431 2.582 20 0 DFADRP C[C@H]([NH2+][C@@H]1CCc2nccn2C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000375377630 428867915 /nfs/dbraw/zinc/86/79/15/428867915.db2.gz GLRNIQQWDHZSLZ-QXAKKESOSA-N 3 0 324.472 2.698 20 0 DFADRP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+]1CC[C@H](COC(F)F)C1 ZINC000348876139 428868532 /nfs/dbraw/zinc/86/85/32/428868532.db2.gz LUIOKTHMMTVLJP-ZDUSSCGKSA-N 2 0 322.359 2.637 20 0 DFADRP C[N@H+](CCC1CC[NH2+]CC1)[C@@H]1CCCN(c2ccccc2)C1=O ZINC000359222945 428871513 /nfs/dbraw/zinc/87/15/13/428871513.db2.gz RHBUCAKNTXUZAQ-GOSISDBHSA-N 2 0 315.461 2.504 20 0 DFADRP CN(C)Cc1cnc(CN2CCC[C@@H]2c2ccncc2)s1 ZINC000348919355 428874872 /nfs/dbraw/zinc/87/48/72/428874872.db2.gz GKFVEIHSHPLJRV-OAHLLOKOSA-N 2 0 302.447 2.937 20 0 DFADRP CCOC[C@@H]1CCC[C@@H]1[NH2+]CCCC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000354135688 428881290 /nfs/dbraw/zinc/88/12/90/428881290.db2.gz ZNOKUIIFDQLUJC-XSLAGTTESA-N 2 0 312.498 2.671 20 0 DFADRP COC(=O)C[C@@H]1CC[C@H]([NH2+]C[C@@H](C)C[NH+]2CCCCC2)[C@@H]1C ZINC000354148985 428887819 /nfs/dbraw/zinc/88/78/19/428887819.db2.gz ZDTMGTXEKKQMJD-NCOADZHNSA-N 2 0 310.482 2.676 20 0 DFADRP O[C@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)C1CC1 ZINC000349002767 428897781 /nfs/dbraw/zinc/89/77/81/428897781.db2.gz IZULGGRIGLVTJI-XVLXNVKGSA-N 2 0 300.446 2.543 20 0 DFADRP C[C@@H]1OCC[C@@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000354174347 428898596 /nfs/dbraw/zinc/89/85/96/428898596.db2.gz XCNQNKFNMJDUGX-RMPXNZIMSA-N 2 0 300.446 2.949 20 0 DFADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)Cc1sc(C)nc1C ZINC000349035660 428905294 /nfs/dbraw/zinc/90/52/94/428905294.db2.gz LAHBTLMLJYHXNE-MRXNPFEDSA-N 2 0 324.538 2.608 20 0 DFADRP CC[N@@H+]1CC[C@H]([NH+](C)CCOCCOc2ccccc2)C[C@@H]1C ZINC000354211380 428916873 /nfs/dbraw/zinc/91/68/73/428916873.db2.gz WTSORJSWTDSNFW-ROUUACIJSA-N 2 0 320.477 2.887 20 0 DFADRP CC[N@@H+]1CC[C@H]([NH+](C)CCOCCOc2ccccc2)C[C@H]1C ZINC000354211378 428917776 /nfs/dbraw/zinc/91/77/76/428917776.db2.gz WTSORJSWTDSNFW-MSOLQXFVSA-N 2 0 320.477 2.887 20 0 DFADRP COc1ccc([C@H](O)[C@H]2CCC[N@@H+]2CC[C@@H]2CCC[NH+]2C)cc1 ZINC000363460018 428919031 /nfs/dbraw/zinc/91/90/31/428919031.db2.gz VQJVBYHHHSGEKF-UHOSZYNNSA-N 2 0 318.461 2.677 20 0 DFADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NCCC[NH+](C)C1CCCCC1 ZINC000349090362 428919865 /nfs/dbraw/zinc/91/98/65/428919865.db2.gz WEZPGGLOFLEDFD-QGZVFWFLSA-N 2 0 309.498 2.632 20 0 DFADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NCCCC[NH+]1C[C@H](C)C[C@H](C)C1 ZINC000349115838 428920758 /nfs/dbraw/zinc/92/07/58/428920758.db2.gz DZISJCGOOBIXAO-FGTMMUONSA-N 2 0 323.525 2.735 20 0 DFADRP CCOc1cccc(C[N@@H+]2CC[C@@H](C3CC[NH+](C)CC3)C2)n1 ZINC000349149139 428928902 /nfs/dbraw/zinc/92/89/02/428928902.db2.gz LEXUNYCRCJACMI-MRXNPFEDSA-N 2 0 303.450 2.644 20 0 DFADRP CCC([NH3+])(CC)CNC(=O)C1CC[NH+](Cc2ccccc2)CC1 ZINC000363526468 428933653 /nfs/dbraw/zinc/93/36/53/428933653.db2.gz FBYAFIUEKURXEE-UHFFFAOYSA-N 2 0 317.477 2.532 20 0 DFADRP CCC[C@@H]([NH2+]C(C)C)C(=O)N[C@@H]1CC[N@H+](CC2CCCC2)C1 ZINC000354251047 428938972 /nfs/dbraw/zinc/93/89/72/428938972.db2.gz BTYHMKOHNSWNEA-IAGOWNOFSA-N 2 0 309.498 2.534 20 0 DFADRP C[C@@H]1C[N@H+](C)CC[C@@H]1NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000359379684 428947327 /nfs/dbraw/zinc/94/73/27/428947327.db2.gz PGVOXXIBOKYGJI-OWCLPIDISA-N 2 0 307.507 2.815 20 0 DFADRP C[C@H]1C[NH+](CCC2CC[NH+](CCCCF)CC2)C[C@H](C)O1 ZINC000375715075 428952021 /nfs/dbraw/zinc/95/20/21/428952021.db2.gz AOWIUBVPIIBYNI-HOTGVXAUSA-N 2 0 300.462 2.947 20 0 DFADRP CCOC(=O)[C@@H]1CC[C@H]([NH2+]CC2(C)CC[NH+](C)CC2)C[C@@H]1C ZINC000359396029 428953120 /nfs/dbraw/zinc/95/31/20/428953120.db2.gz NGNLSMTZMICKDN-HRCADAONSA-N 2 0 310.482 2.676 20 0 DFADRP COc1ccc(O[C@H](C)C[NH2+][C@@H]2CC[N@H+](C)[C@@H]3CCC[C@@H]32)cc1 ZINC000375782951 428972076 /nfs/dbraw/zinc/97/20/76/428972076.db2.gz PEJUYUXLBGTHPB-UTRMSSBJSA-N 2 0 318.461 2.925 20 0 DFADRP CCOC(=O)[C@@H]1CC[C@H]([NH2+]C2CC[NH+](C3CCC3)CC2)C[C@H]1C ZINC000359395236 428953719 /nfs/dbraw/zinc/95/37/19/428953719.db2.gz MICRRPLLDLDIHH-UWWQBHOKSA-N 2 0 322.493 2.961 20 0 DFADRP CCOC(=O)[C@@H]1CC[C@@H]([NH2+]C2CC[NH+](C3CCC3)CC2)C[C@H]1C ZINC000359395232 428953961 /nfs/dbraw/zinc/95/39/61/428953961.db2.gz MICRRPLLDLDIHH-QGPMSJSTSA-N 2 0 322.493 2.961 20 0 DFADRP C[C@H]1C[C@@H]([NH2+]Cc2cn(C)nc2-c2cccs2)CC[N@@H+]1C ZINC000354284149 428954486 /nfs/dbraw/zinc/95/44/86/428954486.db2.gz WEYMZUTYYSASNH-JSGCOSHPSA-N 2 0 304.463 2.721 20 0 DFADRP c1cc(-c2ccc(CN3C[C@@H]4C[N@@H+]5CCCC[C@H]5[C@@H]4C3)o2)n[nH]1 ZINC000375755797 428964085 /nfs/dbraw/zinc/96/40/85/428964085.db2.gz GADNDIGNTUHKBH-UNEWFSDZSA-N 2 0 312.417 2.586 20 0 DFADRP C[NH+]1CCC(C[NH2+][C@H]2CCC(=O)Nc3ccc(F)cc32)CC1 ZINC000363678109 428966774 /nfs/dbraw/zinc/96/67/74/428966774.db2.gz ZSAGOYIYOCSLIW-HNNXBMFYSA-N 2 0 305.397 2.531 20 0 DFADRP C/C=C\C[C@H](CO)[NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]12 ZINC000349346688 428967053 /nfs/dbraw/zinc/96/70/53/428967053.db2.gz YKPORBWMBCVVTD-SYCBWMALSA-N 2 0 314.473 2.814 20 0 DFADRP C[C@H]([NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)c1ccc(-n2ccnc2)cc1 ZINC000423536441 428967107 /nfs/dbraw/zinc/96/71/07/428967107.db2.gz ADODFYZIWZWWDQ-XOYOTBSWSA-N 2 0 310.445 2.911 20 0 DFADRP COc1ccc(C[C@@H](C)[NH2+]CCC[NH2+]C2CC2)c(C)c1OC ZINC000423543016 428968247 /nfs/dbraw/zinc/96/82/47/428968247.db2.gz BNQYPJLUATUGJA-CYBMUJFWSA-N 2 0 306.450 2.675 20 0 DFADRP COC(=O)c1csc([C@H](C)[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)c1 ZINC000423541187 428968317 /nfs/dbraw/zinc/96/83/17/428968317.db2.gz FITAFGBAYQAJQT-FMCLSXCISA-N 2 0 308.447 2.573 20 0 DFADRP C[C@@H]1CCC[C@@H]([NH+]2CCC([NH2+]CCC3=CC[NH2+]CC3)CC2)C1 ZINC000423545069 428968921 /nfs/dbraw/zinc/96/89/21/428968921.db2.gz XFNMGRCPTJLWRO-VQIMIIECSA-N 3 0 305.510 2.929 20 0 DFADRP COc1ncc([C@H](C)[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)cc1Cl ZINC000423546601 428969023 /nfs/dbraw/zinc/96/90/23/428969023.db2.gz KNSUJCNOXYLJAU-CDGCEXEKSA-N 2 0 309.841 2.782 20 0 DFADRP C[C@H]1C[C@H]([NH2+]CCC2=CC[NH2+]CC2)CCN1Cc1ccccc1 ZINC000423538440 428969074 /nfs/dbraw/zinc/96/90/74/428969074.db2.gz MVZXFFOWDOWGFX-FXAWDEMLSA-N 2 0 313.489 2.939 20 0 DFADRP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]CCc1cn(C)c2cc(F)ccc12 ZINC000349357086 428969286 /nfs/dbraw/zinc/96/92/86/428969286.db2.gz SMEJVCHHPMRSDO-DYVFJYSZSA-N 2 0 303.425 2.790 20 0 DFADRP C[C@H]1C[N@H+](C)CC[C@@H]1[NH2+]CCc1cn(C)c2cc(F)ccc12 ZINC000349357087 428969416 /nfs/dbraw/zinc/96/94/16/428969416.db2.gz SMEJVCHHPMRSDO-GUYCJALGSA-N 2 0 303.425 2.790 20 0 DFADRP C[C@H]1COCC[C@@H]1[NH2+]Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000354328578 428970153 /nfs/dbraw/zinc/97/01/53/428970153.db2.gz JGXLJFVNYZVTKO-LPHOPBHVSA-N 2 0 318.461 2.676 20 0 DFADRP CCOC(=O)C1(C)CCC([NH2+]CCC2CC[NH+](C)CC2)CC1 ZINC000354325797 428970175 /nfs/dbraw/zinc/97/01/75/428970175.db2.gz BEBZIWHGXPMUTA-UHFFFAOYSA-N 2 0 310.482 2.820 20 0 DFADRP COCCOc1ccc([C@H](C)[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC000423554498 428970857 /nfs/dbraw/zinc/97/08/57/428970857.db2.gz WPHZRLDFLAOOFZ-LEUOFYLZSA-N 2 0 318.461 2.751 20 0 DFADRP CC[NH+](CC)Cc1ccc(C(=O)N(C)C[C@H]2CCC[N@@H+]2C)cc1 ZINC000421707661 429019381 /nfs/dbraw/zinc/01/93/81/429019381.db2.gz YAKPWGFVUXKHPJ-GOSISDBHSA-N 2 0 317.477 2.695 20 0 DFADRP CCO[C@@H]1COCC[C@@H]1[NH2+]C1CC[NH+]([C@@H]2CCCC[C@@H]2C)CC1 ZINC000354976029 429021131 /nfs/dbraw/zinc/02/11/31/429021131.db2.gz FESQVQDGSYBZNA-GDAAHCPNSA-N 2 0 324.509 2.813 20 0 DFADRP Cc1ccc2c(c1)[C@@H]([NH2+]C1CCN(CC[NH+](C)C)CC1)CCC2 ZINC000166117336 274773840 /nfs/dbraw/zinc/77/38/40/274773840.db2.gz VETJLNBUOYZLBJ-FQEVSTJZSA-N 2 0 315.505 2.988 20 0 DFADRP O=C(CC[C@H]1CCC[NH2+]1)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000423801686 429025332 /nfs/dbraw/zinc/02/53/32/429025332.db2.gz UETNMWHEJGEYTK-GOSISDBHSA-N 2 0 321.509 2.633 20 0 DFADRP [NH3+]C1(C(=O)N2CCC(CCC[NH+]3CCCC3)CC2)CCCCC1 ZINC000423802049 429025365 /nfs/dbraw/zinc/02/53/65/429025365.db2.gz UUNHKJHLQHPZCV-UHFFFAOYSA-N 2 0 321.509 2.763 20 0 DFADRP Cc1ccc2c(c1)[C@H]([NH2+]C1CCN(CC[NH+](C)C)CC1)CCC2 ZINC000166117216 274777148 /nfs/dbraw/zinc/77/71/48/274777148.db2.gz VETJLNBUOYZLBJ-HXUWFJFHSA-N 2 0 315.505 2.988 20 0 DFADRP CC(C)Cn1ccnc1CNc1cc(C(C)C)[nH+]c(N(C)C)n1 ZINC000433405530 429029982 /nfs/dbraw/zinc/02/99/82/429029982.db2.gz GSQRKYBRKCRCPD-UHFFFAOYSA-N 2 0 316.453 3.131 20 0 DFADRP CCC[C@H]([NH2+]C(C)C)C(=O)NC[C@H]1CCC[N@H+](CC(C)C)C1 ZINC000355143981 429030732 /nfs/dbraw/zinc/03/07/32/429030732.db2.gz ASVBTYADWVRJFV-SJORKVTESA-N 2 0 311.514 2.637 20 0 DFADRP CC(C)C[C@@H]1CCC[C@H]([NH2+]CCCN2CCC[C@@H]2C(N)=O)C1 ZINC000354333719 428972631 /nfs/dbraw/zinc/97/26/31/428972631.db2.gz JMGRISWERQNPJZ-YESZJQIVSA-N 2 0 309.498 2.521 20 0 DFADRP C[N@@H+]1CC[C@H]([NH2+]CCCCNc2ccccn2)[C@H]2CCC[C@H]21 ZINC000375801275 428979819 /nfs/dbraw/zinc/97/98/19/428979819.db2.gz IPGCTDXWYHCGTI-IXDOHACOSA-N 2 0 302.466 2.736 20 0 DFADRP C[C@@H]([NH3+])c1ccc(C(=O)N2C[C@@H](C[NH3+])[C@H](c3ccccc3)C2)cc1 ZINC000423612406 428983481 /nfs/dbraw/zinc/98/34/81/428983481.db2.gz PFLWNCUBYBWJIZ-ZMYBRWDISA-N 2 0 323.440 2.521 20 0 DFADRP C[C@H]([NH2+]C[C@H]1CCCn2ccnc21)c1ccccc1-n1ccnn1 ZINC000375841433 428992185 /nfs/dbraw/zinc/99/21/85/428992185.db2.gz SBLZTUQWLXGZFD-LSDHHAIUSA-N 2 0 322.416 2.692 20 0 DFADRP C[C@@H]([NH2+]C[C@H]1CCCn2ccnc21)c1ccccc1-n1ccnn1 ZINC000375841432 428992297 /nfs/dbraw/zinc/99/22/97/428992297.db2.gz SBLZTUQWLXGZFD-HUUCEWRRSA-N 2 0 322.416 2.692 20 0 DFADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CC2(SC)CCC2)[C@@H](C)C1 ZINC000433093688 428993575 /nfs/dbraw/zinc/99/35/75/428993575.db2.gz RQIDGWDTUBUWCS-JKSUJKDBSA-N 2 0 314.539 2.999 20 0 DFADRP CC[C@@H](COC)[NH2+]CC1CC[NH+](CCc2ccccc2)CC1 ZINC000363791616 428993788 /nfs/dbraw/zinc/99/37/88/428993788.db2.gz UAEAJWQWPSJUOY-IBGZPJMESA-N 2 0 304.478 2.956 20 0 DFADRP CC[C@@H](C(=O)NC(C)(C)CCC[NH3+])[N@H+](C)Cc1ccccc1 ZINC000423681474 428994752 /nfs/dbraw/zinc/99/47/52/428994752.db2.gz NISBPKKWKRJCPP-INIZCTEOSA-N 2 0 305.466 2.531 20 0 DFADRP C[C@@H]1C[N@H+](C[C@H]2CCCO2)CC[C@H]1[NH2+]CCc1ccccc1F ZINC000363834630 428996119 /nfs/dbraw/zinc/99/61/19/428996119.db2.gz RXDRASJDEXNUNV-SZVBFZGTSA-N 2 0 320.452 2.847 20 0 DFADRP CCC[C@@H]1CCC[C@@H]1[NH2+]Cc1cccnc1N1CC[NH+](C)CC1 ZINC000433147669 429001258 /nfs/dbraw/zinc/00/12/58/429001258.db2.gz ZJYGNWSACWXXKQ-AEFFLSMTSA-N 2 0 316.493 2.892 20 0 DFADRP C[NH+](C)Cc1ccc(CNC(=O)[C@H]2CCCCCC[C@@H]2[NH3+])cc1 ZINC000423719087 429002218 /nfs/dbraw/zinc/00/22/18/429002218.db2.gz BVOZUSVYNHDJCP-ROUUACIJSA-N 2 0 317.477 2.662 20 0 DFADRP CCC[C@@H]1CCC[C@H]1[NH2+]Cc1ccnc(N2CC[NH+](C)CC2)c1 ZINC000433152229 429002305 /nfs/dbraw/zinc/00/23/05/429002305.db2.gz QQYZYXMUBOCFMG-QZTJIDSGSA-N 2 0 316.493 2.892 20 0 DFADRP COCC[N@H+](C)CCCN[C@H](c1ncc[nH]1)C1CCCCC1 ZINC000375863052 429002441 /nfs/dbraw/zinc/00/24/41/429002441.db2.gz VHZYWTJPFIUZJS-INIZCTEOSA-N 2 0 308.470 2.589 20 0 DFADRP C[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCCN(C(=O)c2ccc(C[NH3+])cc2)C1 ZINC000423722927 429005519 /nfs/dbraw/zinc/00/55/19/429005519.db2.gz DXACQLLVYOHTDI-RVKKMQEKSA-N 2 0 315.461 2.623 20 0 DFADRP CC(C)[C@@H](C(=O)NC[C@@H](C)[NH+]1CCC(C)CC1)[NH+]1CCCCC1 ZINC000354783295 429007484 /nfs/dbraw/zinc/00/74/84/429007484.db2.gz FWTDBABPBUPPFE-MSOLQXFVSA-N 2 0 323.525 2.734 20 0 DFADRP CN(CC[N@H+](C)C1CCCCC1)C(=O)[C@@H]1CCCC[C@@]1(C)[NH3+] ZINC000423764408 429010770 /nfs/dbraw/zinc/01/07/70/429010770.db2.gz SWAKQHYBSPIFPD-FUHWJXTLSA-N 2 0 309.498 2.617 20 0 DFADRP CCCC[N@H+](CC(=O)NC[C@H](c1ccccc1)[NH+](C)C)C1CC1 ZINC000354807030 429010929 /nfs/dbraw/zinc/01/09/29/429010929.db2.gz NQWMJERYEXCNHD-GOSISDBHSA-N 2 0 317.477 2.670 20 0 DFADRP [NH3+]C[C@H]1CCC[C@H]1C(=O)Nc1cccc(CC[NH+]2CCCC2)c1 ZINC000423766291 429011877 /nfs/dbraw/zinc/01/18/77/429011877.db2.gz CPMSNMAKTWXWSK-SJLPKXTDSA-N 2 0 315.461 2.638 20 0 DFADRP CC(C)[C@@H](C(=O)Nc1cccc(CC[NH+]2CCCC2)c1)[C@H](C)[NH3+] ZINC000423773560 429013762 /nfs/dbraw/zinc/01/37/62/429013762.db2.gz MXLZWKLBJHUKFX-MAUKXSAKSA-N 2 0 317.477 2.883 20 0 DFADRP Cc1cc(C)cc(C[N@H+]2CC[C@@H](N3CC[NH+](C(C)C)CC3)C2)c1 ZINC000375907091 429014614 /nfs/dbraw/zinc/01/46/14/429014614.db2.gz REAGBGBEUBGUCS-HXUWFJFHSA-N 2 0 315.505 2.904 20 0 DFADRP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)Nc1cccc(CC[NH+]2CCCC2)c1 ZINC000423773431 429014712 /nfs/dbraw/zinc/01/47/12/429014712.db2.gz MOQYTCREVUNIPG-ROUUACIJSA-N 2 0 315.461 2.652 20 0 DFADRP CN(CC[N@H+](C)C1CCCCC1)C(=O)[C@@](C)([NH3+])c1ccccc1 ZINC000423770166 429014884 /nfs/dbraw/zinc/01/48/84/429014884.db2.gz ZOTYWSGGAOOYQD-IBGZPJMESA-N 2 0 317.477 2.583 20 0 DFADRP C[C@@H](CCCC[NH3+])[NH2+][C@@H](C)c1cccc(N2CCOCC2)c1 ZINC000423447644 429089082 /nfs/dbraw/zinc/08/90/82/429089082.db2.gz ZVDLZCPEPKFWRY-HOTGVXAUSA-N 2 0 305.466 2.691 20 0 DFADRP CC[NH2+]CC1CCN(C(=O)CC[C@H]([NH3+])CC2CCCCC2)CC1 ZINC000424077031 429089530 /nfs/dbraw/zinc/08/95/30/429089530.db2.gz MYZLLIWZANKJHM-SFHVURJKSA-N 2 0 323.525 2.912 20 0 DFADRP C[C@H](CCC[NH3+])[NH2+][C@H](C)c1ncc(Br)cc1F ZINC000423455706 429090260 /nfs/dbraw/zinc/09/02/60/429090260.db2.gz MZTROIYROIXLFH-RKDXNWHRSA-N 2 0 304.207 2.761 20 0 DFADRP Cc1ncsc1CN(C)C[C@@H]1CC[N@H+](CC[C@H]2CCCO2)C1 ZINC000434494913 429093322 /nfs/dbraw/zinc/09/33/22/429093322.db2.gz QLVNQJRCWZZSGP-JKSUJKDBSA-N 2 0 323.506 2.774 20 0 DFADRP C[C@@H]([NH2+]C[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1)[C@@H]1CCCOC1 ZINC000423474428 429093855 /nfs/dbraw/zinc/09/38/55/429093855.db2.gz OUKGMIJKIPXXHD-VYCZESIESA-N 2 0 320.452 2.924 20 0 DFADRP c1ccc(C[C@H]([NH2+]CCC[C@H]2CCC[NH2+]2)c2cccnc2)nc1 ZINC000423477890 429094345 /nfs/dbraw/zinc/09/43/45/429094345.db2.gz KRTUWJAXXXRQNL-MJGOQNOKSA-N 2 0 310.445 2.882 20 0 DFADRP COC1([C@@H](C)[NH2+]CCCC[N@@H+]2CCC[C@@H]2CO)CCCCC1 ZINC000421835325 429038470 /nfs/dbraw/zinc/03/84/70/429038470.db2.gz PSYCXGIQDNEGKC-IAGOWNOFSA-N 2 0 312.498 2.551 20 0 DFADRP Cn1nccc1[C@@H]1CCC[C@H]([NH2+]CC2CC[NH+](C3CC3)CC2)C1 ZINC000376087833 429054049 /nfs/dbraw/zinc/05/40/49/429054049.db2.gz ZZRJOAULYOKOJK-SJORKVTESA-N 2 0 316.493 2.910 20 0 DFADRP COCCc1nc(C)c([C@H](C)[NH2+][C@@H]2CCCC[C@@H]2C[NH3+])s1 ZINC000423281698 429055229 /nfs/dbraw/zinc/05/52/29/429055229.db2.gz UKLLWTNRURPPQK-IACUBPJLSA-N 2 0 311.495 2.809 20 0 DFADRP COc1ccc([C@H](C)[C@H](C)[NH2+][C@@H]2CCC[C@@H]2C[NH3+])cc1OC ZINC000423278313 429055582 /nfs/dbraw/zinc/05/55/82/429055582.db2.gz QPFVKWYJZFQENV-OCVGTWLNSA-N 2 0 306.450 2.913 20 0 DFADRP CC(C)[C@H]([NH3+])CN[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000423279490 429056285 /nfs/dbraw/zinc/05/62/85/429056285.db2.gz SBDDLSZTWMPSIV-FCGDIQPGSA-N 2 0 301.478 2.755 20 0 DFADRP CCCC[C@@H](C[NH3+])N[C@H](C)c1ccc(CCNC(C)=O)cc1 ZINC000423294424 429057137 /nfs/dbraw/zinc/05/71/37/429057137.db2.gz BVLJMEPSRLIBJH-KDOFPFPSSA-N 2 0 305.466 2.533 20 0 DFADRP COC(=O)C[C@@H]1CC[C@H]([NH2+]Cc2ccc([C@@H](C)[NH3+])cc2)[C@@H]1C ZINC000423292689 429058407 /nfs/dbraw/zinc/05/84/07/429058407.db2.gz NYZVPUCGCVHULS-OMNBBPDLSA-N 2 0 304.434 2.774 20 0 DFADRP CC(C)([NH3+])CN[C@@H]1CC[N@H+](Cc2ccccc2)[C@H]2CCC[C@H]21 ZINC000423287395 429058542 /nfs/dbraw/zinc/05/85/42/429058542.db2.gz MAJPPCWJQPCARF-KSZLIROESA-N 2 0 301.478 2.757 20 0 DFADRP [NH3+]C[C@@H]1CCC[C@H]1N[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000423285681 429058670 /nfs/dbraw/zinc/05/86/70/429058670.db2.gz ZNCRZESJTLLCJC-WKWVNEEDSA-N 2 0 313.489 2.899 20 0 DFADRP C[C@@H](C[NH3+])C[NH2+][C@@H]1CCc2c1cc(Br)cc2F ZINC000423297095 429061248 /nfs/dbraw/zinc/06/12/48/429061248.db2.gz IRUGJELZYGUYPE-ISVAXAHUSA-N 2 0 301.203 2.760 20 0 DFADRP CCOC(=O)[C@@H]1CC[C@@H]([NH2+]CC2([NH3+])CCC2)c2ccccc21 ZINC000423316635 429063434 /nfs/dbraw/zinc/06/34/34/429063434.db2.gz BXTAVKBMEYRMRH-HZPDHXFCSA-N 2 0 302.418 2.639 20 0 DFADRP CC(C)[N@@H+]1CC[C@H](N(C)CC[NH+](C)Cc2ccc(F)cc2)C1 ZINC000452119592 429064262 /nfs/dbraw/zinc/06/42/62/429064262.db2.gz QHQLAWVJMJHFSY-SFHVURJKSA-N 2 0 307.457 2.672 20 0 DFADRP C[C@H](Cc1ccc(F)cc1Br)[NH2+]CC1([NH3+])CCC1 ZINC000423330440 429065244 /nfs/dbraw/zinc/06/52/44/429065244.db2.gz NTIMZKOTQHXCLJ-SNVBAGLBSA-N 2 0 315.230 2.990 20 0 DFADRP [NH3+]C1(C[NH2+][C@@H]2CCc3cccc(Br)c3C2)CCC1 ZINC000423326980 429066135 /nfs/dbraw/zinc/06/61/35/429066135.db2.gz MPWDEKBNJGJVCU-GFCCVEGCSA-N 2 0 309.251 2.777 20 0 DFADRP CCOC(=O)c1oc2c(c1C)[C@H]([NH2+]CC1=CC[NH2+]CC1)CCC2 ZINC000423338080 429066886 /nfs/dbraw/zinc/06/68/86/429066886.db2.gz ASBISUVZSYJFEE-CQSZACIVSA-N 2 0 318.417 2.651 20 0 DFADRP C[C@H]([NH3+])c1ccc(C(=O)N2CCC(C[NH+]3CCCC3)CC2)cc1 ZINC000423340895 429067099 /nfs/dbraw/zinc/06/70/99/429067099.db2.gz VYMRAZJVEJVNSA-HNNXBMFYSA-N 2 0 315.461 2.654 20 0 DFADRP CN1CCNC[C@@H]1C[NH2+][C@@H]1CCC[C@H](c2cccc(Cl)c2)C1 ZINC000423484728 429097091 /nfs/dbraw/zinc/09/70/91/429097091.db2.gz AIUJTWAVXSFULZ-CGTJXYLNSA-N 2 0 321.896 2.859 20 0 DFADRP COc1cc(C)c(C[C@@H](C)[NH2+]CC2(C)CC[NH2+]CC2)cc1OC ZINC000423340257 429068304 /nfs/dbraw/zinc/06/83/04/429068304.db2.gz VTVNIBICNIOZAT-OAHLLOKOSA-N 2 0 320.477 2.923 20 0 DFADRP [NH3+][C@H](C[NH2+][C@@H]1CCc2cccc(Br)c2C1)C1CC1 ZINC000423334590 429068795 /nfs/dbraw/zinc/06/87/95/429068795.db2.gz WTKQOIDDWUBVAF-IUODEOHRSA-N 2 0 309.251 2.633 20 0 DFADRP COCCc1nc(C)c([C@@H](C)[NH2+]C[C@@]2(C)CCC[NH2+]C2)s1 ZINC000423344965 429069240 /nfs/dbraw/zinc/06/92/40/429069240.db2.gz OPXPBCIVHNRJBK-WBMJQRKESA-N 2 0 311.495 2.681 20 0 DFADRP C[C@@H]([NH2+]CC1=CC[NH2+]CC1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000423348450 429069543 /nfs/dbraw/zinc/06/95/43/429069543.db2.gz UCVBBEKHMMKXNC-CYBMUJFWSA-N 2 0 314.433 2.541 20 0 DFADRP COc1cc(C)c(C[C@@H](C)[NH2+]C[C@@]2(C)CCC[NH2+]C2)cc1OC ZINC000423351917 429069866 /nfs/dbraw/zinc/06/98/66/429069866.db2.gz ZVAWSDZHUMTSGQ-BEFAXECRSA-N 2 0 320.477 2.923 20 0 DFADRP CC1(C)[C@H]([NH2+]CC2=CC[NH2+]CC2)C[C@H]1OCc1ccccc1 ZINC000423349022 429070759 /nfs/dbraw/zinc/07/07/59/429070759.db2.gz VRCPRLDIEQIOKT-QZTJIDSGSA-N 2 0 300.446 2.880 20 0 DFADRP FC(F)(F)Oc1ccc2c(c1)[C@@H]([NH2+]C[C@H]1CC[NH2+]C1)CC2 ZINC000423351417 429070786 /nfs/dbraw/zinc/07/07/86/429070786.db2.gz ZCZROJRAXAZCER-HZMBPMFUSA-N 2 0 300.324 2.772 20 0 DFADRP C[C@@H]1[C@@H](NCC[C@H]2CCC[NH2+]2)CCC[N@@H+]1Cc1ccccc1 ZINC000423355330 429071435 /nfs/dbraw/zinc/07/14/35/429071435.db2.gz IAZLEAXBXYLEQV-QRQLOZEOSA-N 2 0 301.478 2.771 20 0 DFADRP C[N@H+](CCC[NH+]1CCCC1)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000376178624 429071722 /nfs/dbraw/zinc/07/17/22/429071722.db2.gz SLGXEAPVPZLOEX-UHFFFAOYSA-N 3 0 316.493 2.716 20 0 DFADRP C[C@H]([NH2+]Cc1ccc2c(c1)C[NH2+]C2)c1ccc2c(c1)OCCO2 ZINC000423353550 429072924 /nfs/dbraw/zinc/07/29/24/429072924.db2.gz DOGJWISPIYNWME-ZDUSSCGKSA-N 2 0 310.397 2.912 20 0 DFADRP C[C@H]([NH2+][C@H]1CCC[C@@H]([NH3+])C1)c1cccc(OCC[NH+](C)C)c1 ZINC000423366040 429075270 /nfs/dbraw/zinc/07/52/70/429075270.db2.gz BLRJTYMPTOIQNF-UAGQMJEPSA-N 3 0 305.466 2.548 20 0 DFADRP C[C@H]([NH2+]C[C@@H](N1CC[NH2+]CC1)C(F)(F)F)[C@H]1CCCC[C@H]1C ZINC000423381459 429076167 /nfs/dbraw/zinc/07/61/67/429076167.db2.gz FPRBHYLULOTSTE-CBBWQLFWSA-N 2 0 321.431 2.627 20 0 DFADRP C[C@@H](Cc1ccccc1)[NH+]1CCC(N[C@H]2CC[NH2+][C@H](C)C2)CC1 ZINC000423381147 429076356 /nfs/dbraw/zinc/07/63/56/429076356.db2.gz NLQGCFRGEJWOAW-UWVAXJGDSA-N 2 0 315.505 2.812 20 0 DFADRP COc1ccc(C[C@H](C)[NH2+][C@H]2CC[NH2+][C@@H](C)C2)c(C)c1OC ZINC000423374124 429077351 /nfs/dbraw/zinc/07/73/51/429077351.db2.gz HUHFQYBSPQATMD-XEZPLFJOSA-N 2 0 306.450 2.673 20 0 DFADRP C[C@H]([NH3+])c1ccc(C(=O)N[C@@H](C)C[N@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000423374606 429077765 /nfs/dbraw/zinc/07/77/65/429077765.db2.gz XGGABPGXCAJCOD-FZKCQIBNSA-N 2 0 317.477 2.803 20 0 DFADRP C[NH2+][C@H](C)CN[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000423396210 429079611 /nfs/dbraw/zinc/07/96/11/429079611.db2.gz RNPYWHOFPNBSFO-NXWXRZEISA-N 2 0 301.478 2.627 20 0 DFADRP C[C@@H]1C[NH2+]CC[C@@H]1[NH2+][C@H]1CCCN(Cc2ccccc2)[C@H]1C ZINC000423396345 429080244 /nfs/dbraw/zinc/08/02/44/429080244.db2.gz NRUWEMCKVNPNCH-NEPXVJNWSA-N 2 0 301.478 2.627 20 0 DFADRP CC(C)[C@H]([NH2+]C[C@H]1C[NH2+]C[C@H]1O)c1cccc(C(F)(F)F)c1 ZINC000423397854 429080928 /nfs/dbraw/zinc/08/09/28/429080928.db2.gz CIHJOSSQWKYHKN-YUELXQCFSA-N 2 0 316.367 2.572 20 0 DFADRP C[C@@H](C[NH3+])N[C@@H]1CCCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000423400988 429081441 /nfs/dbraw/zinc/08/14/41/429081441.db2.gz QPVIQIMSMBVGLR-GDAAHCPNSA-N 2 0 301.478 2.614 20 0 DFADRP C[C@@H]1[NH2+]CCC[C@@H]1N[C@@H]1CCC[N@H+](Cc2ccccc2)[C@H]1C ZINC000423398733 429081696 /nfs/dbraw/zinc/08/16/96/429081696.db2.gz VIKHUJOUVGAQKS-PBWTXFEYSA-N 2 0 301.478 2.770 20 0 DFADRP CCC(CC)C(=O)NCC1([NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000424039373 429082064 /nfs/dbraw/zinc/08/20/64/429082064.db2.gz OAHVUXYEROYXJC-UHFFFAOYSA-N 2 0 317.477 2.532 20 0 DFADRP COc1cc([C@@H](C)[NH2+]CCC[C@H]2CCC[NH2+]2)cc(OC)c1OC ZINC000423486414 429097491 /nfs/dbraw/zinc/09/74/91/429097491.db2.gz SQVJPGNJUJJZOR-HIFRSBDPSA-N 2 0 322.449 2.895 20 0 DFADRP c1cc(C[NH2+][C@@H]2CCCC[C@@H]2[C@H]2CCOC2)cc2c1C[NH2+]C2 ZINC000423405650 429082278 /nfs/dbraw/zinc/08/22/78/429082278.db2.gz YFRQNGDREHFRTL-QXAKKESOSA-N 2 0 300.446 2.975 20 0 DFADRP C[C@@H](C[NH3+])N[C@@H]1CCCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000423400990 429082335 /nfs/dbraw/zinc/08/23/35/429082335.db2.gz QPVIQIMSMBVGLR-WZGPROSRSA-N 2 0 301.478 2.614 20 0 DFADRP C[C@H]([NH2+]C[C@@H]1C[NH2+]C[C@@H]1O)c1ccc(-c2ccccc2F)s1 ZINC000423410210 429083282 /nfs/dbraw/zinc/08/32/82/429083282.db2.gz RMFRKZYCXZOFBW-HUBLWGQQSA-N 2 0 320.433 2.785 20 0 DFADRP C[C@H]([NH2+]C[C@H]1C[NH2+]C[C@H]1O)c1ccc(C2CCCCC2)cc1 ZINC000423413093 429083441 /nfs/dbraw/zinc/08/34/41/429083441.db2.gz YBMIEAZRHDCKSB-GDIGMMSISA-N 2 0 302.462 2.965 20 0 DFADRP C[C@H]([NH2+]C[C@H]1C[NH2+]C[C@@H]1O)c1ccc(SC2CCCC2)cc1 ZINC000423412369 429083465 /nfs/dbraw/zinc/08/34/65/429083465.db2.gz WSYKFAQQXHGIAR-JOQOYGCGSA-N 2 0 320.502 2.952 20 0 DFADRP COCC1(C[NH2+][C@@H]2CCc3cc(Cl)ccc32)CC[NH2+]CC1 ZINC000423411632 429083528 /nfs/dbraw/zinc/08/35/28/429083528.db2.gz UZBVIUMTHUXVRS-MRXNPFEDSA-N 2 0 308.853 2.933 20 0 DFADRP Cc1ccc(C[C@H]([NH2+]C[C@H]2C[NH2+]C[C@@H]2O)c2ccc(C)cc2)cc1 ZINC000423412140 429083618 /nfs/dbraw/zinc/08/36/18/429083618.db2.gz WHGZEKALDLNNEP-HKBOAZHASA-N 2 0 324.468 2.757 20 0 DFADRP COC[C@]1(C[NH2+][C@@H](Cc2ccc(F)cc2)C(C)C)CCC[NH2+]1 ZINC000423411389 429084055 /nfs/dbraw/zinc/08/40/55/429084055.db2.gz FRHQCNNGYFCNLP-ZWKOTPCHSA-N 2 0 308.441 2.751 20 0 DFADRP C[C@H]([NH3+])[C@H](C)N[C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000423433443 429087514 /nfs/dbraw/zinc/08/75/14/429087514.db2.gz CJRIWNDCFOBOFA-NXJYUQPGSA-N 2 0 301.478 2.612 20 0 DFADRP CC[N@H+](C)C[C@@H]1CCN(C(=O)C(C)(C)[C@@H]([NH3+])c2ccccc2)C1 ZINC000423427159 429087616 /nfs/dbraw/zinc/08/76/16/429087616.db2.gz IICXTVQAGOCLFC-RDJZCZTQSA-N 2 0 317.477 2.513 20 0 DFADRP CCn1ccnc1C[N@H+](CC1CCC1)[C@H]1CC12CC[NH2+]CC2 ZINC000435680462 429157573 /nfs/dbraw/zinc/15/75/73/429157573.db2.gz GHQRPMYUWHJLQV-INIZCTEOSA-N 2 0 302.466 2.647 20 0 DFADRP Cc1ccc([C@H](C)NC(=O)CN(C)[C@H]2CCC[NH2+]CC2)cc1C ZINC000435615699 429153623 /nfs/dbraw/zinc/15/36/23/429153623.db2.gz JWRKBHBBZDGCGY-WMZOPIPTSA-N 2 0 317.477 2.555 20 0 DFADRP CSc1ccccc1NC(=O)CC[N@H+](C)[C@@H]1CCC[NH2+]CC1 ZINC000435623720 429155583 /nfs/dbraw/zinc/15/55/83/429155583.db2.gz VQTTYWHNPOQZGY-CQSZACIVSA-N 2 0 321.490 2.811 20 0 DFADRP C[C@H](Cc1ccccc1C(F)(F)F)[NH2+]C[C@@H]1C[NH2+]CCCO1 ZINC000423494670 429098801 /nfs/dbraw/zinc/09/88/01/429098801.db2.gz SOHIRFLAMVHJCB-OCCSQVGLSA-N 2 0 316.367 2.605 20 0 DFADRP CC[N@H+](C)C[C@@H]1CCN(C(=O)CC[C@H]([NH3+])CC2CCCCC2)C1 ZINC000424147822 429100638 /nfs/dbraw/zinc/10/06/38/429100638.db2.gz SITLIJFUVJLROY-ROUUACIJSA-N 2 0 323.525 2.865 20 0 DFADRP CC[N@H+](CCNC(=O)CC[C@H]([NH3+])CC1CCCCC1)C(C)C ZINC000424156177 429100897 /nfs/dbraw/zinc/10/08/97/429100897.db2.gz NUUNODJHDHQOTH-KRWDZBQOSA-N 2 0 311.514 2.911 20 0 DFADRP C[C@@H]1CN([C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)C[C@@]1(C)C[NH3+] ZINC000423505581 429102067 /nfs/dbraw/zinc/10/20/67/429102067.db2.gz HEENHOVCFVAKTQ-ONCXSQPRSA-N 2 0 315.505 2.814 20 0 DFADRP COc1cc(C)c(C[C@H](C)[N@@H+]2C[C@@H](C)[C@](C)(C[NH3+])C2)cc1OC ZINC000423501641 429102279 /nfs/dbraw/zinc/10/22/79/429102279.db2.gz BNIGKLDZCNOPMN-ZRGWGRIASA-N 2 0 320.477 2.860 20 0 DFADRP CCc1cccnc1[C@H](C)[NH2+]C1CCC(N2CC[NH2+]CC2)CC1 ZINC000423503780 429102400 /nfs/dbraw/zinc/10/24/00/429102400.db2.gz GCLQAGOCMHPVBH-ZLPCBKJTSA-N 2 0 316.493 2.511 20 0 DFADRP C[C@H]1C[C@H](N2C[C@@H](C)[C@](C)(C[NH3+])C2)C[N@@H+]1Cc1ccccc1 ZINC000423508258 429103979 /nfs/dbraw/zinc/10/39/79/429103979.db2.gz KOKBRWAMZHNHBN-KCITZHQASA-N 2 0 301.478 2.566 20 0 DFADRP CCN(C(=O)CC[C@H](C)[NH3+])[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000434685995 429105006 /nfs/dbraw/zinc/10/50/06/429105006.db2.gz SMRRMUQGFDIGTG-LZLYRXPVSA-N 2 0 317.477 2.798 20 0 DFADRP C[C@H](c1cccc(N2CCCC2=O)c1)[N@@H+]1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000423518165 429107089 /nfs/dbraw/zinc/10/70/89/429107089.db2.gz YXBQOEUZRWJZLY-SPYBWZPUSA-N 2 0 315.461 2.791 20 0 DFADRP CO[C@@H]1[C@H](C)[C@H]([NH2+]CC2([NH3+])C3CC4CC(C3)CC2C4)C1(C)C ZINC000423517791 429107148 /nfs/dbraw/zinc/10/71/48/429107148.db2.gz BXOASPCLFOVNQK-DAAWSLCZSA-N 2 0 306.494 2.789 20 0 DFADRP C[C@H]([NH2+][C@@H]1CC[C@H](C[NH3+])C1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000423523196 429108068 /nfs/dbraw/zinc/10/80/68/429108068.db2.gz YMTVWSUPJXZDRC-DSLXNQLJSA-N 3 0 301.478 2.614 20 0 DFADRP Cc1nc(C)c([C@H](C)[NH2+]C2CCC(N3CC[NH2+]CC3)CC2)s1 ZINC000423525904 429108626 /nfs/dbraw/zinc/10/86/26/429108626.db2.gz YTAUWYXJNSVSRT-JEYLPNPQSA-N 2 0 322.522 2.627 20 0 DFADRP CC1(C)[C@H]([NH2+]CC2([NH3+])C3CC4CC(C3)CC2C4)[C@@H]2CCO[C@H]21 ZINC000423522839 429108712 /nfs/dbraw/zinc/10/87/12/429108712.db2.gz HRUUDFQHFMJDQY-UPOVVZTNSA-N 2 0 304.478 2.543 20 0 DFADRP C[C@H]([NH2+]C1CCC(N2CC[NH2+]CC2)CC1)c1cc(F)ccc1F ZINC000423525676 429109487 /nfs/dbraw/zinc/10/94/87/429109487.db2.gz YKNBEDHTBOVANY-JEYLPNPQSA-N 2 0 323.431 2.832 20 0 DFADRP CC1(C)CC[C@H]1[NH2+]CC1(N)CC[NH+](Cc2ccccc2)CC1 ZINC000423532086 429110813 /nfs/dbraw/zinc/11/08/13/429110813.db2.gz UOYXKANDCYPKRI-QGZVFWFLSA-N 2 0 301.478 2.758 20 0 DFADRP COC(=O)CC1CC([NH2+]Cc2cccc(C[NH+]3CCCC3)c2)C1 ZINC000424264649 429116531 /nfs/dbraw/zinc/11/65/31/429116531.db2.gz UJUOGRGIHLRJHP-UHFFFAOYSA-N 2 0 316.445 2.714 20 0 DFADRP CCc1ccc(NC(=O)C[N@@H+]2CC3(C[C@H]2C)CC[NH2+]CC3)cc1 ZINC000424285566 429120016 /nfs/dbraw/zinc/12/00/16/429120016.db2.gz FWBZYRPENDSOSX-OAHLLOKOSA-N 2 0 315.461 2.652 20 0 DFADRP C[C@H](C[NH2+][C@H](C1CCC1)C1CCCCC1)N1CC[NH+](C)CC1 ZINC000424289944 429121594 /nfs/dbraw/zinc/12/15/94/429121594.db2.gz ARNZTZKTGRJVIH-APWZRJJASA-N 2 0 307.526 2.961 20 0 DFADRP COc1c(C)cnc(C[N@@H+]2CC3(C[C@H]2C)CC[NH2+]CC3)c1C ZINC000424291280 429121716 /nfs/dbraw/zinc/12/17/16/429121716.db2.gz NIQAUXVFKGLSPM-CQSZACIVSA-N 2 0 303.450 2.671 20 0 DFADRP C[C@@H]1C[NH+](CCC2CC[NH+](CCOC3CCC3)CC2)C[C@@H](C)O1 ZINC000376525541 429128866 /nfs/dbraw/zinc/12/88/66/429128866.db2.gz KDGRPFDEMQNASK-IAGOWNOFSA-N 2 0 324.509 2.767 20 0 DFADRP C[C@H]1CCCC[C@H]1C[NH+]1CCC(n2ncc3c2C[NH2+]C3)CC1 ZINC000424380140 429132669 /nfs/dbraw/zinc/13/26/69/429132669.db2.gz PMPHZUKAMKGJKA-GJZGRUSLSA-N 2 0 302.466 2.950 20 0 DFADRP COc1cc(C)c(C[N@@H+]2CC3(C[C@H]2C)CC[NH2+]CC3)cc1OC ZINC000424387579 429133525 /nfs/dbraw/zinc/13/35/25/429133525.db2.gz YMOXUYHFPAINNK-OAHLLOKOSA-N 2 0 318.461 2.976 20 0 DFADRP COc1ccc(-c2ccncc2)cc1C[N@@H+]1CCC[C@H](C[NH3+])C1 ZINC000435382189 429135945 /nfs/dbraw/zinc/13/59/45/429135945.db2.gz CAKHUEUHPYYTIX-OAHLLOKOSA-N 2 0 311.429 2.928 20 0 DFADRP CCN(Cc1cn(-c2cc[nH+]cc2)nc1C)[C@H]1CCC[NH2+]CC1 ZINC000435384724 429137018 /nfs/dbraw/zinc/13/70/18/429137018.db2.gz NXNIWNNBFQTRPK-KRWDZBQOSA-N 2 0 313.449 2.540 20 0 DFADRP CC[N@H+](Cc1ccc(N2CCCC2)nc1)[C@@H]1CCC[NH2+]CC1 ZINC000435394663 429139281 /nfs/dbraw/zinc/13/92/81/429139281.db2.gz OMULEIKWTJWDEI-QGZVFWFLSA-N 2 0 302.466 2.646 20 0 DFADRP [NH3+]Cc1cc(NC(=O)CC[C@H]2CCC[NH2+]2)cc(C(F)(F)F)c1 ZINC000494670569 429140559 /nfs/dbraw/zinc/14/05/59/429140559.db2.gz ZJYYDUCAOQUVHG-GFCCVEGCSA-N 2 0 315.339 2.635 20 0 DFADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@@H](C)[C@@H](c1ccccc1)[NH+](C)C ZINC000487195441 429141052 /nfs/dbraw/zinc/14/10/52/429141052.db2.gz CYSJYPVAGXJRNG-JQHSSLGASA-N 2 0 317.477 2.668 20 0 DFADRP Cn1nccc1[C@@H]1CCC[C@@H]([NH2+]CC2(C)CC[NH+](C)CC2)C1 ZINC000363922852 429141315 /nfs/dbraw/zinc/14/13/15/429141315.db2.gz GENOBWCBJZFZJW-HZPDHXFCSA-N 2 0 304.482 2.768 20 0 DFADRP Cc1cc(C[NH3+])cc(NC(=O)NCC[N@H+]2[C@H](C)CCC[C@@H]2C)c1 ZINC000424438474 429141805 /nfs/dbraw/zinc/14/18/05/429141805.db2.gz PTBFGBOJBDPPBY-GASCZTMLSA-N 2 0 318.465 2.838 20 0 DFADRP C[C@@H]([NH3+])Cc1nc(-c2cccc(C[NH+]3CCCCC3)c2)no1 ZINC000435727525 429161111 /nfs/dbraw/zinc/16/11/11/429161111.db2.gz YUUVOOXQAXJHEO-CYBMUJFWSA-N 2 0 300.406 2.612 20 0 DFADRP C[NH2+]CCCc1nc(-c2cccc(C[NH+]3CCCCC3)c2)no1 ZINC000435725276 429161306 /nfs/dbraw/zinc/16/13/06/429161306.db2.gz GEAUPYRBMOWCAW-UHFFFAOYSA-N 2 0 314.433 2.875 20 0 DFADRP CC1CC[NH+](CC2CC[NH+](CC[C@H]3CCC[N@@H+]3C)CC2)CC1 ZINC000364061114 429164185 /nfs/dbraw/zinc/16/41/85/429164185.db2.gz YIOOUBHJZYVQEX-LJQANCHMSA-N 3 0 307.526 2.915 20 0 DFADRP C[C@@H]1C[C@H]([NH2+]Cc2ccc(CN3CC[NH+](C)CC3)cc2)[C@@H]1C ZINC000494927290 429165250 /nfs/dbraw/zinc/16/52/50/429165250.db2.gz ZUMFJPZYCBXBFL-MDZRGWNJSA-N 2 0 301.478 2.568 20 0 DFADRP CC[NH+](CC)CCOCC[NH2+][C@@H]1CS[C@@H](C(C)(C)C)C1 ZINC000488560294 429183119 /nfs/dbraw/zinc/18/31/19/429183119.db2.gz ORRPKFFSYQPRBM-LSDHHAIUSA-N 2 0 302.528 2.855 20 0 DFADRP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC[C@H]1CCC[NH+]1C1CCCCC1 ZINC000436297769 429196179 /nfs/dbraw/zinc/19/61/79/429196179.db2.gz NXPUSLGUIHFJMD-ATZDWAIDSA-N 2 0 305.510 2.856 20 0 DFADRP CC[NH+](CC)CC1CCN(C(=O)[C@H](C)[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC000436244190 429191270 /nfs/dbraw/zinc/19/12/70/429191270.db2.gz CEWOIUFTRSNSAL-ZACQAIPSSA-N 2 0 323.525 2.828 20 0 DFADRP Fc1cccc2[nH]c(C[NH2+]CCCC[NH+]3CCOCC3)cc21 ZINC000436282169 429193027 /nfs/dbraw/zinc/19/30/27/429193027.db2.gz QONQWIVQRHZPAT-UHFFFAOYSA-N 2 0 305.397 2.509 20 0 DFADRP CC(C)c1ccc([C@H]([NH3+])CNC(=O)C[C@H]2CCC[NH2+]CC2)cc1 ZINC000364469219 429209756 /nfs/dbraw/zinc/20/97/56/429209756.db2.gz TVCNMKMRMOTNJG-MAUKXSAKSA-N 2 0 317.477 2.706 20 0 DFADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]C1CC(O)(Cc2cccc(F)c2)C1 ZINC000364477541 429211229 /nfs/dbraw/zinc/21/12/29/429211229.db2.gz ANJTVNHDKHGORZ-DQFJOQKMSA-N 2 0 320.452 2.580 20 0 DFADRP Cc1ccc(NC(=O)C[C@@H]2CCC[NH2+]CC2)c(C[NH+](C)C)c1 ZINC000364498563 429213789 /nfs/dbraw/zinc/21/37/89/429213789.db2.gz XNWQUNNKMZJLIR-OAHLLOKOSA-N 2 0 303.450 2.775 20 0 DFADRP CC(C)[NH+]1CCC(NC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC000364397012 429196532 /nfs/dbraw/zinc/19/65/32/429196532.db2.gz YWUPPMSHTJXKQG-INIZCTEOSA-N 2 0 321.509 2.630 20 0 DFADRP Cn1ccc(C[NH+]2CCC3(CC[N@H+](Cc4ccccc4)C3)CC2)n1 ZINC000364442389 429204974 /nfs/dbraw/zinc/20/49/74/429204974.db2.gz QSYLTSIJFYWTNV-UHFFFAOYSA-N 2 0 324.472 2.908 20 0 DFADRP CCN(CCC[NH+]1CCCC1)c1cc(N2CCCCC2)ncn1 ZINC000425261246 429252446 /nfs/dbraw/zinc/25/24/46/429252446.db2.gz YKOARQGBCDXIRS-UHFFFAOYSA-N 2 0 317.481 2.779 20 0 DFADRP C[N@@H+](Cc1nc2ccc(F)cc2o1)C[C@@H]1CCc2nccn2C1 ZINC000364709804 429252984 /nfs/dbraw/zinc/25/29/84/429252984.db2.gz PGSMBPGJEFTECH-LBPRGKRZSA-N 2 0 314.364 2.858 20 0 DFADRP C[NH+](C)[C@H]1CCc2cc(NC(=O)C3CC[NH+](C)CC3)ccc21 ZINC000456261702 429267710 /nfs/dbraw/zinc/26/77/10/429267710.db2.gz GDIHWIAMQOIHAO-KRWDZBQOSA-N 2 0 301.434 2.516 20 0 DFADRP CN(C)c1ncc(C[N@@H+]2CCC[C@@H](CC(F)(F)F)C2)n1C ZINC000425367104 429278587 /nfs/dbraw/zinc/27/85/87/429278587.db2.gz HCEYMXLCIQAURR-NSHDSACASA-N 2 0 304.360 2.651 20 0 DFADRP CC[NH2+]Cc1cccc(NC(=O)[C@@]2(c3ccccc3)CC[NH2+]C2)c1 ZINC000449075686 429325032 /nfs/dbraw/zinc/32/50/32/429325032.db2.gz GAHVVUVICOVJSB-FQEVSTJZSA-N 2 0 323.440 2.666 20 0 DFADRP COCC[N@H+](C)CCC[NH2+]C1CCC(OC2CCCC2)CC1 ZINC000449079831 429327127 /nfs/dbraw/zinc/32/71/27/429327127.db2.gz QHVNXXCLMPWRKQ-UHFFFAOYSA-N 2 0 312.498 2.815 20 0 DFADRP C[C@@H](Cc1ccccc1)[NH+]1CCC(NC[C@@H]2CCC[N@@H+]2C)CC1 ZINC000449102004 429332802 /nfs/dbraw/zinc/33/28/02/429332802.db2.gz HWNZLKQOVBLRMM-PXNSSMCTSA-N 2 0 315.505 2.766 20 0 DFADRP C[C@@H]1C[N@@H+](CCCC[NH2+]Cc2cc3cccnc3o2)C[C@H](C)O1 ZINC000449104288 429333229 /nfs/dbraw/zinc/33/32/29/429333229.db2.gz UTCAFLXZNCQKKO-GASCZTMLSA-N 2 0 317.433 2.807 20 0 DFADRP C[C@@H]1CC[C@H](C)[C@H]([NH2+]C2CCN(C3CC[NH+](C)CC3)CC2)C1 ZINC000449104598 429333566 /nfs/dbraw/zinc/33/35/66/429333566.db2.gz ANHMVKAGAUDFKO-JTDSTZFVSA-N 2 0 307.526 2.959 20 0 DFADRP CC(C)C[C@@H](C[N@@H+]1CC[C@@H](N2CC[NH2+]CC2)C1)c1ccccc1 ZINC000504438643 429335952 /nfs/dbraw/zinc/33/59/52/429335952.db2.gz NGIJFWYANWGQJS-VQTJNVASSA-N 2 0 315.505 2.796 20 0 DFADRP CC(C)C[C@H](C[N@@H+]1CC[C@H](N2CC[NH2+]CC2)C1)c1ccccc1 ZINC000504438642 429336531 /nfs/dbraw/zinc/33/65/31/429336531.db2.gz NGIJFWYANWGQJS-UXHICEINSA-N 2 0 315.505 2.796 20 0 DFADRP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+][C@H]2CCCC[C@@H]2O)CC1 ZINC000449136389 429340072 /nfs/dbraw/zinc/34/00/72/429340072.db2.gz AZAMAEBZGBSEEC-UXPWSPDFSA-N 2 0 316.489 2.975 20 0 DFADRP C[C@H](C[NH2+][C@@H]1CCCC12CCCCC2)CN1CC[NH+](C)CC1 ZINC000449131265 429340174 /nfs/dbraw/zinc/34/01/74/429340174.db2.gz LHSVGMSMGGNRSC-QZTJIDSGSA-N 2 0 307.526 2.963 20 0 DFADRP Cn1cc(C[NH2+]CC2CC[NH+](C)CC2)c(-c2ccc(F)cc2)n1 ZINC000449133683 429341059 /nfs/dbraw/zinc/34/10/59/429341059.db2.gz ZMBIMYGBTPMSPS-UHFFFAOYSA-N 2 0 316.424 2.658 20 0 DFADRP CCC[C@@H](O)C[NH2+]C1CC[NH+]([C@H](C)Cc2ccccc2)CC1 ZINC000449142686 429342468 /nfs/dbraw/zinc/34/24/68/429342468.db2.gz GNHZIMCUROKIGB-VQIMIIECSA-N 2 0 304.478 2.833 20 0 DFADRP CC(C)[C@H](O)C[NH2+]C1CC[NH+]([C@H](C)Cc2ccccc2)CC1 ZINC000449143299 429343458 /nfs/dbraw/zinc/34/34/58/429343458.db2.gz PYSNAKCKMAVIIO-VQIMIIECSA-N 2 0 304.478 2.689 20 0 DFADRP CC[NH+]1CCN([C@H](C)C[NH2+]Cc2ccc3c(c2)CCCC3)CC1 ZINC000490558470 429292385 /nfs/dbraw/zinc/29/23/85/429292385.db2.gz SVPXPXKZRSGDAQ-QGZVFWFLSA-N 2 0 315.505 2.681 20 0 DFADRP CO[C@H](C[N@H+](C)CC1CCN(c2cc[nH+]cc2)CC1)C1CC1 ZINC000425425446 429292513 /nfs/dbraw/zinc/29/25/13/429292513.db2.gz UGZGEDAMRLAYDC-GOSISDBHSA-N 2 0 303.450 2.655 20 0 DFADRP C[N@@H+]1CC[C@@]2(CCN(Cc3ccc(-c4ccccn4)nc3)C2)C1 ZINC000425445729 429299161 /nfs/dbraw/zinc/29/91/61/429299161.db2.gz NENJHMKBACBGRK-LJQANCHMSA-N 2 0 308.429 2.671 20 0 DFADRP CC(C)[NH+]1CCC([N@H+](C)CCCNC(=O)OC(C)(C)C)CC1 ZINC000495962347 429300648 /nfs/dbraw/zinc/30/06/48/429300648.db2.gz WKQWMCGQBNLJTB-UHFFFAOYSA-N 2 0 313.486 2.706 20 0 DFADRP C[NH+](C)[C@H]1CCC[N@H+](CCN2CCCc3ccccc32)CC1 ZINC000365404449 429313392 /nfs/dbraw/zinc/31/33/92/429313392.db2.gz PVVZEQWJRVKVLR-SFHVURJKSA-N 2 0 301.478 2.855 20 0 DFADRP C[NH+]1CCC(CC(=O)Nc2cccc3c2C[N@@H+](C2CC2)C3)CC1 ZINC000365878921 429393822 /nfs/dbraw/zinc/39/38/22/429393822.db2.gz JMJRTWKSONRWMH-UHFFFAOYSA-N 2 0 313.445 2.835 20 0 DFADRP CC(C)CC[NH+]1CCC(CNC(=O)C[C@@H]2CCCC[C@@H]2[NH3+])CC1 ZINC000449362695 429397719 /nfs/dbraw/zinc/39/77/19/429397719.db2.gz MAKNDGNZDCOTLR-ROUUACIJSA-N 2 0 323.525 2.768 20 0 DFADRP COc1ccc(CC[NH2+][C@@H]2CCC[C@@H]([NH3+])C2)c(Cl)c1OC ZINC000517758085 429397842 /nfs/dbraw/zinc/39/78/42/429397842.db2.gz YNMLJKBXYZFYNG-CHWSQXEVSA-N 2 0 312.841 2.759 20 0 DFADRP CCC[N@H+](C)C[C@H]1CCN(C(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC000426688336 429408773 /nfs/dbraw/zinc/40/87/73/429408773.db2.gz PRHGYFRSIRPLIS-QGZVFWFLSA-N 2 0 323.525 2.689 20 0 DFADRP CC(C)(C)[C@H]1C[C@@H]([NH2+]Cc2cc(C3CC[NH2+]CC3)no2)CCO1 ZINC000425894419 429349634 /nfs/dbraw/zinc/34/96/34/429349634.db2.gz GMWUIGZXWZKVIL-WMLDXEAASA-N 2 0 321.465 2.825 20 0 DFADRP CC(C)[C@@H]1OCCC[C@@H]1C[NH2+]Cc1cc(C2CC[NH2+]CC2)no1 ZINC000425902155 429351013 /nfs/dbraw/zinc/35/10/13/429351013.db2.gz RUEJRNZOZKNWFY-QAPCUYQASA-N 2 0 321.465 2.682 20 0 DFADRP CO[C@H](C[NH2+]Cc1cc(C2CC[NH2+]CC2)no1)c1ccccc1 ZINC000425903826 429351157 /nfs/dbraw/zinc/35/11/57/429351157.db2.gz WUEYKOLVXPEEGD-GOSISDBHSA-N 2 0 315.417 2.619 20 0 DFADRP C[C@@H](C(=O)N1CCC([NH2+]C2CCCC2)CC1)[NH+]1CCCCCC1 ZINC000365647884 429358010 /nfs/dbraw/zinc/35/80/10/429358010.db2.gz RJAFERLRNKISPZ-INIZCTEOSA-N 2 0 321.509 2.774 20 0 DFADRP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+][C@@H]2C=C[C@H](CO)C2)CC1 ZINC000449226217 429362280 /nfs/dbraw/zinc/36/22/80/429362280.db2.gz WVCREMMTAZHUSS-IMFGXOCKSA-N 2 0 314.473 2.609 20 0 DFADRP C[N@@H+]1CC[C@H]([NH2+]CCCN2CCc3ccccc32)[C@@H]2CCC[C@@H]21 ZINC000513755175 429362416 /nfs/dbraw/zinc/36/24/16/429362416.db2.gz QKBFGXNVIWPZGV-BJLQDIEVSA-N 2 0 313.489 2.902 20 0 DFADRP COCC(C)(C)C[NH2+]Cc1nc2c(s1)CN(C(C)C)CC2 ZINC000491469448 429363625 /nfs/dbraw/zinc/36/36/25/429363625.db2.gz CJYFUOVVYQIVRA-UHFFFAOYSA-N 2 0 311.495 2.672 20 0 DFADRP CCN(CC[NH2+][C@H]1CC[N@H+](CC)C[C@@H]1C)CCC(F)(F)F ZINC000426079365 429365388 /nfs/dbraw/zinc/36/53/88/429365388.db2.gz PEWKBNCQEIEDPA-KBPBESRZSA-N 2 0 309.420 2.581 20 0 DFADRP CC[NH+](CC)CCOc1ccccc1C[NH2+][C@@H]1CCC[C@H]([NH3+])C1 ZINC000514738830 429370600 /nfs/dbraw/zinc/37/06/00/429370600.db2.gz LAQVJVLLTARRMD-ZWKOTPCHSA-N 3 0 319.493 2.767 20 0 DFADRP c1csc(N2CCC([NH2+]CC3CC[NH+](C4CC4)CC3)CC2)n1 ZINC000365804948 429375648 /nfs/dbraw/zinc/37/56/48/429375648.db2.gz HZOQCPQXZUWTSK-UHFFFAOYSA-N 2 0 320.506 2.576 20 0 DFADRP C=Cn1cc(C[NH2+]C2CCN(Cc3ccccc3F)CC2)cn1 ZINC000365800628 429376057 /nfs/dbraw/zinc/37/60/57/429376057.db2.gz YYLNZDXXBYLQML-UHFFFAOYSA-N 2 0 314.408 2.877 20 0 DFADRP CC(C)c1nnc(CC[NH2+][C@@H]2CC[N@H+](C)[C@@H]3CCC[C@@H]32)s1 ZINC000426290606 429380948 /nfs/dbraw/zinc/38/09/48/429380948.db2.gz PSDCDAOKWFWRCN-MGPQQGTHSA-N 2 0 308.495 2.666 20 0 DFADRP C[C@@H](Cc1ccccc1)[NH+]1CCC([NH2+]CCCCCO)CC1 ZINC000449294421 429381104 /nfs/dbraw/zinc/38/11/04/429381104.db2.gz ZBEWNGNHENIHFK-KRWDZBQOSA-N 2 0 304.478 2.834 20 0 DFADRP [NH3+][C@H]1CCCC[C@H]1CC(=O)N1CC[NH+](CC2CCCCC2)CC1 ZINC000449319922 429385715 /nfs/dbraw/zinc/38/57/15/429385715.db2.gz HIZICZVIPSKLID-ROUUACIJSA-N 2 0 321.509 2.619 20 0 DFADRP CC[NH+](CC)[C@H](CNC(=O)C[C@H]1CCCC[C@@H]1[NH3+])CC(C)C ZINC000449319646 429386306 /nfs/dbraw/zinc/38/63/06/429386306.db2.gz ZEUBGEDOCIEBQJ-IKGGRYGDSA-N 2 0 311.514 2.767 20 0 DFADRP CC(C)[C@@H](C(=O)N1CCC[C@H](C[N@@H+]2CCCC[C@@H]2C)C1)[NH+](C)C ZINC000426385634 429387818 /nfs/dbraw/zinc/38/78/18/429387818.db2.gz PPTSKYDESGRKPV-KSZLIROESA-N 2 0 323.525 2.686 20 0 DFADRP C[C@@H]1CCC[N@H+](CCCCNC(=O)C[C@@H]2CCCC[C@H]2[NH3+])C1 ZINC000449326209 429388675 /nfs/dbraw/zinc/38/86/75/429388675.db2.gz TVMFUEPNFZBWTP-IXDOHACOSA-N 2 0 309.498 2.522 20 0 DFADRP C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)C[C@H]1CCC[NH2+]CC1 ZINC000427297197 429444232 /nfs/dbraw/zinc/44/42/32/429444232.db2.gz YLVMAHUOWJYXSL-SJORKVTESA-N 2 0 309.498 2.537 20 0 DFADRP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+]1CCSC[C@@H]1C1CC1 ZINC000449528743 429446557 /nfs/dbraw/zinc/44/65/57/429446557.db2.gz RPCXUFOBDWRUOA-QGZVFWFLSA-N 2 0 314.458 2.903 20 0 DFADRP C[C@@H](CC(=O)Nc1ccc(F)cc1)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000449562031 429449886 /nfs/dbraw/zinc/44/98/86/429449886.db2.gz ZKAZWYJIWXAFKQ-RJCAOGMDSA-N 2 0 319.424 2.758 20 0 DFADRP CC[N@H+](Cc1ccc(C(=O)N[C@@H](C)CCC[NH3+])cc1)C1CC1 ZINC000449571343 429451899 /nfs/dbraw/zinc/45/18/99/429451899.db2.gz JVRSIVBMZJWNSW-AWEZNQCLSA-N 2 0 303.450 2.528 20 0 DFADRP C[C@H]([NH2+]CCC1(CO)CC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000449576864 429453803 /nfs/dbraw/zinc/45/38/03/429453803.db2.gz BUCSWNLLWXEAAB-WMZOPIPTSA-N 2 0 302.462 2.649 20 0 DFADRP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+](C)[C@H](CO)CC(C)(C)C ZINC000449582120 429453842 /nfs/dbraw/zinc/45/38/42/429453842.db2.gz DRFYGGHLKAXWDC-KRWDZBQOSA-N 2 0 316.449 2.805 20 0 DFADRP c1c[nH]c([C@H](N[C@H]2CC[N@@H+](C3CCCC3)C2)c2cccnc2)n1 ZINC000366453000 429455298 /nfs/dbraw/zinc/45/52/98/429455298.db2.gz SFMFPQJKJZGGCB-DOTOQJQBSA-N 2 0 311.433 2.501 20 0 DFADRP C[C@H](Cc1cnn(C)c1)[NH2+]C1CC[NH+]([C@H]2CCC[C@@H](C)C2)CC1 ZINC000449584101 429456153 /nfs/dbraw/zinc/45/61/53/429456153.db2.gz JJPLZAJIMHPWTD-MDZRGWNJSA-N 2 0 318.509 2.984 20 0 DFADRP CC(C)[NH2+]CCCN[C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000519537460 429462743 /nfs/dbraw/zinc/46/27/43/429462743.db2.gz FSKUDOMDWHNVNZ-SLFFLAALSA-N 3 0 315.505 2.875 20 0 DFADRP [NH3+]CC1(O)CC[NH+](Cc2ccc(-c3ccc(Cl)cc3)o2)CC1 ZINC000518492443 429423575 /nfs/dbraw/zinc/42/35/75/429423575.db2.gz YNMQXSHKFQWWAM-UHFFFAOYSA-N 2 0 320.820 2.886 20 0 DFADRP C[C@H](O)c1cnc(CN2CC[C@H](CNc3ccccn3)C2)s1 ZINC000366137935 429423824 /nfs/dbraw/zinc/42/38/24/429423824.db2.gz QCFHOLQSEXCFAZ-QWHCGFSZSA-N 2 0 318.446 2.525 20 0 DFADRP CO[C@@H]1COCC[C@@H]1C[NH2+]C1CC[NH+]([C@@H]2CCC[C@@H](C)C2)CC1 ZINC000449462486 429425299 /nfs/dbraw/zinc/42/52/99/429425299.db2.gz VHTUOSKRJPMMFP-PSBWJHGTSA-N 2 0 324.509 2.671 20 0 DFADRP Cc1nccn1-c1ccc(C[NH2+][C@H](C)[C@@H]2CCC[NH2+]C2)cc1F ZINC000518753838 429431475 /nfs/dbraw/zinc/43/14/75/429431475.db2.gz ODLQPYDGOOELEZ-CZUORRHYSA-N 2 0 316.424 2.798 20 0 DFADRP CCc1cccc(C[NH2+]CCCC[NH+]2CCN(CC)CC2)c1 ZINC000518780485 429434425 /nfs/dbraw/zinc/43/44/25/429434425.db2.gz QBXBDJHQGZMEHP-UHFFFAOYSA-N 2 0 303.494 2.756 20 0 DFADRP CCC[NH+]1CCC([NH2+][C@H]2CCC[C@@H](c3ccnn3C)C2)CC1 ZINC000520720939 429525719 /nfs/dbraw/zinc/52/57/19/429525719.db2.gz DHHSRSNLNIQVFW-WBVHZDCISA-N 2 0 304.482 2.910 20 0 DFADRP CN(C(=O)C[N@@H+]1CCCC2(CC[NH+](C)CC2)C1)C1CCCCC1 ZINC000366866405 429529809 /nfs/dbraw/zinc/52/98/09/429529809.db2.gz QMRRNJDTFRDMQT-UHFFFAOYSA-N 2 0 321.509 2.585 20 0 DFADRP COC(=O)CC[C@H]([NH2+][C@H](C)[C@@H]1CCC[NH2+]C1)c1ccccc1 ZINC000519767561 429487554 /nfs/dbraw/zinc/48/75/54/429487554.db2.gz XUARHYSTLLOEDK-OIISXLGYSA-N 2 0 304.434 2.659 20 0 DFADRP CC[N@H+](Cc1ccc(C(=O)N[C@@H]2CC[C@@H](C[NH3+])C2)cc1)C1CC1 ZINC000449722337 429488036 /nfs/dbraw/zinc/48/80/36/429488036.db2.gz KPJZHPOGGLTHHZ-NVXWUHKLSA-N 2 0 315.461 2.528 20 0 DFADRP Cc1ccc(C[NH+]2CCCC2)cc1NC(=O)/C=C\C[NH+](C)C ZINC000492229952 429491645 /nfs/dbraw/zinc/49/16/45/429491645.db2.gz AAHVUJLRRPNSRB-SREVYHEPSA-N 2 0 301.434 2.647 20 0 DFADRP CC[NH+]1CCN(CC(C)(C)[NH2+]Cc2ncc(C(C)C)s2)CC1 ZINC000449743764 429492704 /nfs/dbraw/zinc/49/27/04/429492704.db2.gz BBGFRRBYQAHIIT-UHFFFAOYSA-N 2 0 324.538 2.772 20 0 DFADRP CC[NH+]1CCN(CC(C)(C)[NH2+]Cc2cc(Cl)cs2)CC1 ZINC000449748104 429497663 /nfs/dbraw/zinc/49/76/63/429497663.db2.gz ZPBZKRMGTGMGLE-UHFFFAOYSA-N 2 0 315.914 2.907 20 0 DFADRP Cc1nc(C(C)C)oc1C[N@@H+](C)CC1CC[NH+](C[C@@H](C)O)CC1 ZINC000428207070 429499480 /nfs/dbraw/zinc/49/94/80/429499480.db2.gz OMIWRLCBBZVSET-CQSZACIVSA-N 2 0 323.481 2.631 20 0 DFADRP CC[N@@H+]1CC[C@@H]([NH+](C)CCN2CCc3ccccc32)C[C@H]1C ZINC000428237442 429504415 /nfs/dbraw/zinc/50/44/15/429504415.db2.gz MVVFHMVCHXXQSJ-SJLPKXTDSA-N 2 0 301.478 2.854 20 0 DFADRP C(CC[NH+]1CCO[C@H]2CCC[C@H]21)CC[N@@H+]1CCO[C@H]2CCC[C@H]21 ZINC000366757784 429509242 /nfs/dbraw/zinc/50/92/42/429509242.db2.gz NHGVHQXZZAXYKL-YRXWBPOGSA-N 2 0 322.493 2.663 20 0 DFADRP CC[N@H+](CCNC(=O)[C@@H]1CCCC[NH+]1C1CCCC1)C(C)C ZINC000449838876 429523301 /nfs/dbraw/zinc/52/33/01/429523301.db2.gz JIYAAHBAKVVPDE-KRWDZBQOSA-N 2 0 309.498 2.630 20 0 DFADRP COc1cc([C@H](C)[NH2+]CC2(SC)CC[NH+](C)CC2)ccn1 ZINC000521899036 429568323 /nfs/dbraw/zinc/56/83/23/429568323.db2.gz HLXNUHRTOHEFLW-ZDUSSCGKSA-N 2 0 309.479 2.568 20 0 DFADRP C[C@H](CNC(=O)Nc1ccc2c(c1)C[NH2+]C2)C[NH+]1CCCCC1 ZINC000521984635 429572597 /nfs/dbraw/zinc/57/25/97/429572597.db2.gz AXYYBDHTIOOXOF-CQSZACIVSA-N 2 0 316.449 2.533 20 0 DFADRP C[N@@H+]1CC[C@]2(CCN(CCOc3ccc(Cl)c(F)c3)C2)C1 ZINC000429024775 429573188 /nfs/dbraw/zinc/57/31/88/429573188.db2.gz HIHAITPQNRBOCG-INIZCTEOSA-N 2 0 312.816 2.886 20 0 DFADRP C[C@@H](c1ccccc1)[N@H+](C)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000367117328 429580390 /nfs/dbraw/zinc/58/03/90/429580390.db2.gz NZDDJPBTGHXGFK-LPHOPBHVSA-N 2 0 301.478 2.848 20 0 DFADRP C[C@@H]1C[C@H]([NH2+]C[C@]2(CO)C[C@@H]2c2ccc(F)cc2)CN1C1CC1 ZINC000428544700 429533615 /nfs/dbraw/zinc/53/36/15/429533615.db2.gz UHWNXKGWYQGKCS-HQJJXPTPSA-N 2 0 318.436 2.507 20 0 DFADRP Cc1c([C@H](C)[NH2+]CCC2=CC[NH2+]CC2)nnn1-c1ccccc1 ZINC000521026792 429535204 /nfs/dbraw/zinc/53/52/04/429535204.db2.gz OWAAZWOYSZLDIL-AWEZNQCLSA-N 2 0 311.433 2.536 20 0 DFADRP C[NH+]1CCC2(CCC[N@H+](C[C@H](O)c3c(F)cccc3F)C2)CC1 ZINC000366916942 429540116 /nfs/dbraw/zinc/54/01/16/429540116.db2.gz YFZBXGLNVSCYGE-INIZCTEOSA-N 2 0 324.415 2.806 20 0 DFADRP Cc1nc(CO[C@@H]2CCN(CCC[NH+]3CCCCC3)C2)cs1 ZINC000366916138 429540541 /nfs/dbraw/zinc/54/05/41/429540541.db2.gz LYESXTLGNSPUKW-QGZVFWFLSA-N 2 0 323.506 2.918 20 0 DFADRP C[NH+]1CCC2(CCC[N@H+](Cc3ccc4c(c3)CCO4)C2)CC1 ZINC000366951291 429545692 /nfs/dbraw/zinc/54/56/92/429545692.db2.gz ISANCHIYDLBJPT-UHFFFAOYSA-N 2 0 300.446 2.929 20 0 DFADRP CCc1noc([C@H](C)N2CCC3(C[C@H]3C[N@H+](C)C3CC3)CC2)n1 ZINC000367309498 429616742 /nfs/dbraw/zinc/61/67/42/429616742.db2.gz JBFOXYBQIQFJNE-KBPBESRZSA-N 2 0 318.465 2.889 20 0 DFADRP CCC[NH+](CCC)CCCC(=O)N1C[C@H]([NH+]2CCCC2)C[C@H]1C ZINC000367331199 429623178 /nfs/dbraw/zinc/62/31/78/429623178.db2.gz DMEWPFUIJBKCKW-QZTJIDSGSA-N 2 0 323.525 2.974 20 0 DFADRP C[C@H](c1ccccc1)[C@@H](O)C[N@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000450438099 429625469 /nfs/dbraw/zinc/62/54/69/429625469.db2.gz JWYDSTRZYDWBSN-QRQLOZEOSA-N 2 0 304.478 2.957 20 0 DFADRP CC(C)[N@@H+]1CCCC[C@H]1CN1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000450452241 429629382 /nfs/dbraw/zinc/62/93/82/429629382.db2.gz LUOHURXNEWLCRF-MOPGFXCFSA-N 2 0 307.526 2.913 20 0 DFADRP CC[NH+](CC)[C@H](C(=O)NCC[N@@H+]1CC[C@@H](C)C1)c1ccccc1 ZINC000524720213 429630322 /nfs/dbraw/zinc/63/03/22/429630322.db2.gz CVTZXTHGHTWIFC-AEFFLSMTSA-N 2 0 317.477 2.528 20 0 DFADRP C[C@H](O)CC[N@@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000450456783 429631074 /nfs/dbraw/zinc/63/10/74/429631074.db2.gz UKDIUACCQOYUMG-HKUYNNGSSA-N 2 0 302.462 2.745 20 0 DFADRP CC[NH+](CC)CCO[C@@H]1CC[N@H+](Cc2cccc(C(C)=O)c2)C1 ZINC000450458027 429632209 /nfs/dbraw/zinc/63/22/09/429632209.db2.gz WWKUPVSJUQAFGE-LJQANCHMSA-N 2 0 318.461 2.822 20 0 DFADRP CCC[N@H+](C)C[C@@H]1CC[NH+](C[C@@H](O)[C@H](C)c2ccccc2)C1 ZINC000450463782 429632935 /nfs/dbraw/zinc/63/29/35/429632935.db2.gz SAZDGQOLVGESAR-ZIFCJYIRSA-N 2 0 304.478 2.815 20 0 DFADRP CCC[NH+]1CCC([N@H+](C)C[C@H](O)[C@@H](C)c2ccccc2)CC1 ZINC000450471603 429636435 /nfs/dbraw/zinc/63/64/35/429636435.db2.gz WIRGCNQSBLCVQF-LPHOPBHVSA-N 2 0 304.478 2.957 20 0 DFADRP CCc1ccc2[nH+]ccc(N3CC[NH+](C[C@H](O)CC)CC3)c2c1 ZINC000450341629 429605260 /nfs/dbraw/zinc/60/52/60/429605260.db2.gz LOZBPGCIAHNDCV-MRXNPFEDSA-N 2 0 313.445 2.690 20 0 DFADRP C[C@H](C(=O)N1CCC[N@@H+](C(C)(C)C)CC1)[NH+]1[C@H](C)CC[C@H]1C ZINC000523509862 429609036 /nfs/dbraw/zinc/60/90/36/429609036.db2.gz PUMMKAPJNRHCHM-BZUAXINKSA-N 2 0 309.498 2.581 20 0 DFADRP Cc1[nH+]c2ccccc2c(NC[C@H]2CCC[N@@H+]2CCCO)c1C ZINC000450596606 429655611 /nfs/dbraw/zinc/65/56/11/429655611.db2.gz NMHCWIPTOIVALW-MRXNPFEDSA-N 2 0 313.445 2.532 20 0 DFADRP Cc1cccc(C[NH+]2CCN([C@H]3CCC[N@@H+](C)C3)CC2)c1C ZINC000367472232 429656433 /nfs/dbraw/zinc/65/64/33/429656433.db2.gz GUEJIPYHHPGGKO-IBGZPJMESA-N 2 0 301.478 2.515 20 0 DFADRP Cc1cccc(C)c1C[N@H+]1CC[C@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000525686439 429666746 /nfs/dbraw/zinc/66/67/46/429666746.db2.gz YTFNQTXOOXZLDJ-IBGZPJMESA-N 2 0 315.505 2.904 20 0 DFADRP CCC[C@@H]([NH3+])C(=O)NCc1ccccc1C[N@@H+]1CCCC[C@H]1C ZINC000262179397 276024264 /nfs/dbraw/zinc/02/42/64/276024264.db2.gz RTAWEYJQIXRRMW-CRAIPNDOSA-N 2 0 317.477 2.805 20 0 DFADRP CC1(C[NH2+]CC2CC[NH+](CCc3ccccc3)CC2)COC1 ZINC000367542264 429668424 /nfs/dbraw/zinc/66/84/24/429668424.db2.gz YHKFDVPITKGAMZ-UHFFFAOYSA-N 2 0 302.462 2.567 20 0 DFADRP CCC[C@H]([NH2+]C1CC[NH+]([C@H]2CCC[C@@H]2O)CC1)c1cccnc1 ZINC000273491741 276044487 /nfs/dbraw/zinc/04/44/87/276044487.db2.gz OITHWTCPQVIZKB-FHWLQOOXSA-N 2 0 317.477 2.890 20 0 DFADRP CC(C)n1cc2c(n1)C[C@H]([NH2+][C@@H]1CC[N@@H+]3CCC[C@H]3C1)CC2 ZINC000358287154 276084486 /nfs/dbraw/zinc/08/44/86/276084486.db2.gz IWDPROZZPLWYII-ZACQAIPSSA-N 2 0 302.466 2.538 20 0 DFADRP CC[NH+](CC)CCC[C@H](C)NC(=O)c1ccc2c(c1)C[NH2+]C2 ZINC000316945031 276097976 /nfs/dbraw/zinc/09/79/76/276097976.db2.gz BTJHUZLGCIPERY-AWEZNQCLSA-N 2 0 303.450 2.530 20 0 DFADRP CC(C)[N@H+](C)CC1CCN(C(=O)[C@H](C)[NH+]2CCCCCC2)CC1 ZINC000525752070 429670576 /nfs/dbraw/zinc/67/05/76/429670576.db2.gz NYGIYERXXZDHNW-KRWDZBQOSA-N 2 0 323.525 2.830 20 0 DFADRP CC[NH+](CC)Cc1cccc(CNC(=O)[C@H]2CCC[C@@H]([NH3+])C2)c1 ZINC000236923902 276110406 /nfs/dbraw/zinc/11/04/06/276110406.db2.gz BIMNGWFMKQHSBQ-ZWKOTPCHSA-N 2 0 317.477 2.662 20 0 DFADRP FC1(F)CC(C[NH+]2CCC(CCC[NH+]3CCOCC3)CC2)C1 ZINC000450705120 429680907 /nfs/dbraw/zinc/68/09/07/429680907.db2.gz HGDLSJNSNZIPRE-UHFFFAOYSA-N 2 0 316.436 2.856 20 0 DFADRP CC[NH+]1CCN([C@@H](C)C[NH2+][C@@H]2CCCc3sccc32)CC1 ZINC000155693217 276197145 /nfs/dbraw/zinc/19/71/45/276197145.db2.gz SDKQBVFHDIWDON-GOEBONIOSA-N 2 0 307.507 2.741 20 0 DFADRP C[N@@H+]1CC[C@H]([NH2+]C[C@H](O)c2ccc(Cl)cc2)[C@@H]2CCC[C@@H]21 ZINC000367601821 429681877 /nfs/dbraw/zinc/68/18/77/429681877.db2.gz PRPQCXNFNJCABU-QAETUUGQSA-N 2 0 308.853 2.836 20 0 DFADRP C[C@H](O)CCC[NH2+]C1[C@H](C)C[NH+](Cc2ccccc2)C[C@H]1C ZINC000450740320 429689597 /nfs/dbraw/zinc/68/95/97/429689597.db2.gz UTHOJYXSBIZTFK-ZACQAIPSSA-N 2 0 304.478 2.894 20 0 DFADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@H](C)N2CCc3sccc3C2)[C@H](C)C1 ZINC000247185072 276229166 /nfs/dbraw/zinc/22/91/66/276229166.db2.gz ZLDXVJFBGIPANL-VYDXJSESSA-N 2 0 321.534 2.815 20 0 DFADRP CC[N@@H+]1CC[C@H](NC[C@@H]2CC[NH+](C)[C@H]2c2ccccc2)[C@@H](C)C1 ZINC000369849761 276229447 /nfs/dbraw/zinc/22/94/47/276229447.db2.gz CZRUFKMMAWWMOC-LEAZDLGRSA-N 2 0 315.505 2.999 20 0 DFADRP C[C@@](C[NH3+])([NH2+]CCOc1ccc(OC(F)(F)F)cc1)C1CC1 ZINC000430553486 429689678 /nfs/dbraw/zinc/68/96/78/429689678.db2.gz TVOPTZSYROKMBY-AWEZNQCLSA-N 2 0 318.339 2.681 20 0 DFADRP CC[NH2+]CC1CC[NH+]([C@H](C)C(=O)Nc2ccc(C)c(C)c2)CC1 ZINC000430572400 429694067 /nfs/dbraw/zinc/69/40/67/429694067.db2.gz OBXQXWWGJHFKNT-MRXNPFEDSA-N 2 0 317.477 2.952 20 0 DFADRP Cc1cc(C)cc(C[N@@H+](C)[C@H]2CCN(C3CC[NH+](C)CC3)C2)c1 ZINC000367662128 429696028 /nfs/dbraw/zinc/69/60/28/429696028.db2.gz UUAQHBZODYDNHI-FQEVSTJZSA-N 2 0 315.505 2.904 20 0 DFADRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@@H]1CCCOc2ccc(F)cc21 ZINC000165956576 276357923 /nfs/dbraw/zinc/35/79/23/276357923.db2.gz GWVNBKLDYUIPRV-NVXWUHKLSA-N 2 0 324.440 2.986 20 0 DFADRP C[C@H]([NH3+])[C@@H]1CCC[N@H+](CCC(=O)Nc2ccc(Cl)cc2)C1 ZINC000430578341 429697387 /nfs/dbraw/zinc/69/73/87/429697387.db2.gz YLUXZRDCLJAKBE-QWHCGFSZSA-N 2 0 309.841 2.728 20 0 DFADRP CNC(=O)CC[C@H]1CCCC[N@@H+]1C[C@@H]1CCCCN1C(C)C ZINC000450993398 429745863 /nfs/dbraw/zinc/74/58/63/429745863.db2.gz VRQMJDFYVYWZMX-SJORKVTESA-N 2 0 309.498 2.630 20 0 DFADRP CCC[C@H](NC(=O)[C@H](C)[NH+]1CCC(C[NH3+])CC1)c1ccccc1 ZINC000430611988 429702119 /nfs/dbraw/zinc/70/21/19/429702119.db2.gz QJAFBYQOINWBPP-YJBOKZPZSA-N 2 0 317.477 2.703 20 0 DFADRP COC[C@@H](C)C[NH2+]C[C@H](C(C)C)N1CCc2ccccc2C1 ZINC000526123334 429702738 /nfs/dbraw/zinc/70/27/38/429702738.db2.gz LHVMAJIKCJHZGQ-QFBILLFUSA-N 2 0 304.478 2.941 20 0 DFADRP C[NH2+]C[C@H]1CCCN([C@H](C)C(=O)Nc2cccc(SC)c2)C1 ZINC000430633901 429703012 /nfs/dbraw/zinc/70/30/12/429703012.db2.gz CJOFJVDGRRAEOH-ZIAGYGMSSA-N 2 0 321.490 2.667 20 0 DFADRP C[NH2+]C[C@H]1CCCN(Cc2ncc(-c3ccc(OC)cc3)o2)C1 ZINC000430632496 429703670 /nfs/dbraw/zinc/70/36/70/429703670.db2.gz YLMPNMYKYPRLKU-CQSZACIVSA-N 2 0 315.417 2.782 20 0 DFADRP CC[NH+]1CCC(N(CC(=O)N(C)[C@H](C)CC(C)C)C2CC2)CC1 ZINC000367752843 429712091 /nfs/dbraw/zinc/71/20/91/429712091.db2.gz HZSDKEVJVNRMCX-MRXNPFEDSA-N 2 0 323.525 2.828 20 0 DFADRP Cc1cccc(N2CC[NH+](CCCC[NH2+]CC3(F)CC3)CC2)c1 ZINC000526974773 429712627 /nfs/dbraw/zinc/71/26/27/429712627.db2.gz JIKKJJPFJBTMAY-UHFFFAOYSA-N 2 0 319.468 2.989 20 0 DFADRP FC1(C[NH2+]CCc2ccc(OCC[NH+]3CCCC3)cc2)CC1 ZINC000526983720 429714517 /nfs/dbraw/zinc/71/45/17/429714517.db2.gz ASZFFALQADJGSF-UHFFFAOYSA-N 2 0 306.425 2.795 20 0 DFADRP CC(C)[C@H](O)C[NH+]1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000367785146 429716515 /nfs/dbraw/zinc/71/65/15/429716515.db2.gz WEGIVJOFZLNYOS-LJQANCHMSA-N 2 0 316.489 2.991 20 0 DFADRP CCC[NH+]1CCC([NH2+]C2CCN(c3nccs3)CC2)CC1 ZINC000367795502 429718592 /nfs/dbraw/zinc/71/85/92/429718592.db2.gz XJWVAQADELTFPX-UHFFFAOYSA-N 2 0 308.495 2.576 20 0 DFADRP C[C@H](C(=O)NCC[NH+]1[C@H](C)CCC[C@H]1C)[C@@H]([NH3+])c1ccccc1 ZINC000430894318 429722017 /nfs/dbraw/zinc/72/20/17/429722017.db2.gz MKVWXEHDEHSVGE-XLMAVXFVSA-N 2 0 317.477 2.702 20 0 DFADRP CN(C(=[NH2+])NC[C@@H]1CC[N@H+](C)[C@H]1c1cccc(Cl)c1)C1CC1 ZINC000367809447 429722084 /nfs/dbraw/zinc/72/20/84/429722084.db2.gz GHASTMSWZZFZTJ-BBRMVZONSA-N 2 0 320.868 2.951 20 0 DFADRP C[NH2+]CC1CC[NH+]([C@H](C)C(=O)Nc2ccc(C)cc2C)CC1 ZINC000430923593 429725472 /nfs/dbraw/zinc/72/54/72/429725472.db2.gz FFEBUGUBFRZPDN-OAHLLOKOSA-N 2 0 303.450 2.562 20 0 DFADRP C[C@@H]1C[N@H+](Cc2ccc(OCc3ccccn3)cc2)CC[C@@H]1[NH3+] ZINC000430950792 429727421 /nfs/dbraw/zinc/72/74/21/429727421.db2.gz SMJPDFWVIXHCDX-BEFAXECRSA-N 2 0 311.429 2.830 20 0 DFADRP C[C@H]1C[N@H+](CCOc2ccc(C(F)(F)F)cc2)CC[C@@H]1[NH3+] ZINC000430951634 429729659 /nfs/dbraw/zinc/72/96/59/429729659.db2.gz VWZDKVQBYSLZBD-FZMZJTMJSA-N 2 0 302.340 2.753 20 0 DFADRP CCn1c2ccc(F)cc2nc1C[NH+]1CCC([C@H](C)[NH3+])CC1 ZINC000430954532 429729937 /nfs/dbraw/zinc/72/99/37/429729937.db2.gz WOPWNMJFTATBHC-LBPRGKRZSA-N 2 0 304.413 2.755 20 0 DFADRP c1ccc2c(c1)C[C@@H]2C[NH+]1CCC(CC[NH+]2CCOCC2)CC1 ZINC000367857525 429732080 /nfs/dbraw/zinc/73/20/80/429732080.db2.gz OJGIUBGPSRZLHI-LJQANCHMSA-N 2 0 314.473 2.761 20 0 DFADRP Cc1ccc(F)cc1NC(=O)[C@@H](C)[NH+]1CCC2(CC[NH2+]C2)CC1 ZINC000431044628 429736759 /nfs/dbraw/zinc/73/67/59/429736759.db2.gz XPICCMWLSADVFR-CQSZACIVSA-N 2 0 319.424 2.537 20 0 DFADRP CN1CCC([NH+]2CCC(CC[N@H+](C)CC3(F)CC3)CC2)CC1 ZINC000527511475 429754626 /nfs/dbraw/zinc/75/46/26/429754626.db2.gz TYRWGAPIVLKABP-UHFFFAOYSA-N 2 0 311.489 2.617 20 0 DFADRP C[NH+](C)CCOc1ccc(C[NH2+]C/C=C/c2ccncc2)cc1 ZINC000486962081 429757703 /nfs/dbraw/zinc/75/77/03/429757703.db2.gz CHQKGGQHKBKDCQ-ONEGZZNKSA-N 2 0 311.429 2.825 20 0 DFADRP Cn1c2cc(F)ccc2nc1NCc1cccc(-n2ccnc2)c1 ZINC000431417736 429761135 /nfs/dbraw/zinc/76/11/35/429761135.db2.gz BJNYVMFLHWCNDF-UHFFFAOYSA-N 2 0 321.359 3.510 20 0 DFADRP C[C@H](c1ccccc1)[C@@H](O)C[N@@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000451070361 429762331 /nfs/dbraw/zinc/76/23/31/429762331.db2.gz OLYJJJJCVTVPDI-NZSAHSFTSA-N 2 0 302.462 2.569 20 0 DFADRP C[C@@H]1CCCC[C@H]1C[N@@H+]1CCN(C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000368051552 429774781 /nfs/dbraw/zinc/77/47/81/429774781.db2.gz NPRUBKIBVFYDCJ-SQNIBIBYSA-N 2 0 307.526 2.913 20 0 DFADRP C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)CC[C@H]2CCCC[NH+]2C)C1 ZINC000431718456 429778982 /nfs/dbraw/zinc/77/89/82/429778982.db2.gz DATJMILZPSBFJN-IAGOWNOFSA-N 2 0 323.525 2.878 20 0 DFADRP C[N@@H+]1CCC[C@H]1CC[NH+]1CCC[C@@](O)(c2ccccc2)CC1 ZINC000368072734 429781610 /nfs/dbraw/zinc/78/16/10/429781610.db2.gz PZLKGTPZXTUKFV-OALUTQOASA-N 2 0 302.462 2.844 20 0 DFADRP C[NH+](C)CCCC1CCN(C(=O)CC[C@H]2CCCC[N@@H+]2C)CC1 ZINC000431823391 429786094 /nfs/dbraw/zinc/78/60/94/429786094.db2.gz QXNIKJICDKOUOD-GOSISDBHSA-N 2 0 323.525 2.831 20 0 DFADRP C[C@H]([NH2+]Cc1ccccc1C[N@@H+]1CCC[C@@H]1CO)[C@@H]1CC12CC2 ZINC000527887770 429815455 /nfs/dbraw/zinc/81/54/55/429815455.db2.gz OYSQSPJLOVARCV-IPELMVKDSA-N 2 0 314.473 2.922 20 0 DFADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@@H](OC)c2cccc(OC)c2)[C@H](C)C1 ZINC000527921030 429821689 /nfs/dbraw/zinc/82/16/89/429821689.db2.gz PTVRZYZNJYKKBO-FHLIZLRMSA-N 2 0 306.450 2.703 20 0 DFADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]C[C@]1(C)COc2ccccc2O1 ZINC000527930046 429822416 /nfs/dbraw/zinc/82/24/16/429822416.db2.gz HDKZRAHYTNKBRZ-ATNYBXOESA-N 2 0 304.434 2.535 20 0 DFADRP C[C@]1(C[NH2+]C2CC[NH+](CC3CC3)CC2)COc2ccccc2O1 ZINC000527932267 429823136 /nfs/dbraw/zinc/82/31/36/429823136.db2.gz LNMYPDSLIOBWBE-IBGZPJMESA-N 2 0 316.445 2.681 20 0 DFADRP C[N@@H+]1CC[C@H](NC[C@@H]2CC[NH+]2C2CCCCC2)[C@H]2CCC[C@@H]21 ZINC000527952039 429826933 /nfs/dbraw/zinc/82/69/33/429826933.db2.gz SRXFDEVIUNSMJU-RDGPPVDQSA-N 2 0 305.510 2.856 20 0 DFADRP CCC[C@H]([NH2+]CC(=O)NC1CC[NH+](C2CC2)CC1)C(C)(C)C ZINC000451430681 429829474 /nfs/dbraw/zinc/82/94/74/429829474.db2.gz DHUFENANAXFFLI-INIZCTEOSA-N 2 0 309.498 2.534 20 0 DFADRP c1ccc(C[N@H+]2C[C@@H]3CC[C@H]([NH2+]CC45CC(C4)CO5)[C@H]3C2)cc1 ZINC000527982095 429830575 /nfs/dbraw/zinc/83/05/75/429830575.db2.gz QLNPWSLBZAAEJN-URTMOLNLSA-N 2 0 312.457 2.666 20 0 DFADRP CCC[C@@H]([NH2+][C@H]1CCN(C2CC[NH+](C)CC2)C1)c1cccnc1 ZINC000368330026 429832029 /nfs/dbraw/zinc/83/20/29/429832029.db2.gz VIOBXJIFWIRYCZ-PKOBYXMFSA-N 2 0 316.493 2.681 20 0 DFADRP OC1CC(C[NH2+][C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)C1 ZINC000528016498 429837553 /nfs/dbraw/zinc/83/75/53/429837553.db2.gz ASCNVVWGXRSWEU-KMMPOOCJSA-N 2 0 314.473 2.648 20 0 DFADRP CC[NH+](CC)Cc1cc([C@@H](C)[NH2+]CC2COC2)ccc1OC ZINC000528028308 429838760 /nfs/dbraw/zinc/83/87/60/429838760.db2.gz VZHFSZPYPPXQSQ-CQSZACIVSA-N 2 0 306.450 2.834 20 0 DFADRP c1ccc(C[N@H+]2C[C@@H]3CCC[C@H]([NH2+]CC4COC4)[C@@H]3C2)cc1 ZINC000528027408 429838986 /nfs/dbraw/zinc/83/89/86/429838986.db2.gz SWKDCIZXVIDWIB-OTWHNJEPSA-N 2 0 300.446 2.523 20 0 DFADRP CC(=O)N1CCCN(C[C@H]2CCC[N@@H+]([C@H](C)CC(C)C)C2)CC1 ZINC000451529151 429843519 /nfs/dbraw/zinc/84/35/19/429843519.db2.gz MJFKJSFCZHCMET-IEBWSBKVSA-N 2 0 323.525 2.687 20 0 DFADRP C[C@H](CC[NH+](C)C)[NH2+][C@H](C)c1cccc(N2CCOC2=O)c1 ZINC000493692583 429811131 /nfs/dbraw/zinc/81/11/31/429811131.db2.gz JLAOZUDTMHJTKA-ZIAGYGMSSA-N 2 0 305.422 2.634 20 0 DFADRP C[N@@H+]1CC[C@H](C[NH2+]Cc2c[nH]c3nccnc23)[C@H]1c1ccccc1 ZINC000368229056 429813482 /nfs/dbraw/zinc/81/34/82/429813482.db2.gz SOWNCOIQQPYMAT-CRAIPNDOSA-N 2 0 321.428 2.692 20 0 DFADRP C[C@H](c1ccncc1)N1CCC([NH2+]Cc2cncc(F)c2)CC1 ZINC000494580483 429881410 /nfs/dbraw/zinc/88/14/10/429881410.db2.gz TXAPLNAZHYNAOB-CQSZACIVSA-N 2 0 314.408 2.931 20 0 DFADRP CC[NH+](CC)C[C@@H]1CCN([C@@H]2CCN(C3CCCCC3)C2=O)C1 ZINC000528398637 429885019 /nfs/dbraw/zinc/88/50/19/429885019.db2.gz XOYILWLQHILQEI-FUHWJXTLSA-N 2 0 321.509 2.584 20 0 DFADRP CC[C@@H](c1ccccc1)[NH+]1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000369352753 429928481 /nfs/dbraw/zinc/92/84/81/429928481.db2.gz AIZMXABJTOSMNO-OALUTQOASA-N 2 0 301.478 2.850 20 0 DFADRP CO[C@H](Cc1ccc(F)cc1)C[N@@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000528512755 429895245 /nfs/dbraw/zinc/89/52/45/429895245.db2.gz NFUQFHJHFJHENZ-RTBURBONSA-N 2 0 320.452 2.801 20 0 DFADRP CC(C)[C@H]1CN(Cc2cn(C)cn2)CC[N@@H+]1Cc1ccccc1 ZINC000528642643 429903999 /nfs/dbraw/zinc/90/39/99/429903999.db2.gz XIJSLLHRSOFGKN-LJQANCHMSA-N 2 0 312.461 2.763 20 0 DFADRP Cn1nccc1[C@@H]1CCC[C@@H]([NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)C1 ZINC000369142733 429915421 /nfs/dbraw/zinc/91/54/21/429915421.db2.gz JTSXFOSFBHPODP-BZUAXINKSA-N 2 0 302.466 2.520 20 0 DFADRP c1cc(CCCN2CCC[N@@H+]3CCC[C@H]3C2)cc2c1OCC2 ZINC000369154828 429916414 /nfs/dbraw/zinc/91/64/14/429916414.db2.gz WDUFKLCHMWRZDW-SFHVURJKSA-N 2 0 300.446 2.724 20 0 DFADRP CCc1noc(-c2ccc(CC[NH2+][C@@H]3CCC[C@H]([NH3+])C3)cc2)n1 ZINC000573505697 429958941 /nfs/dbraw/zinc/95/89/41/429958941.db2.gz LEIXWBREKSFMHN-JKSUJKDBSA-N 2 0 314.433 2.701 20 0 DFADRP C[NH+]1CCC2(CC[N@H+](C[C@@H](O)Cc3cccc(Cl)c3)C2)CC1 ZINC000639755396 429971136 /nfs/dbraw/zinc/97/11/36/429971136.db2.gz JUWHEHXJSGOKTP-KRWDZBQOSA-N 2 0 322.880 2.661 20 0 DFADRP COc1c(C)cnc(C[N@@H+]2CCC3(C2)CC[NH+](C)CC3)c1C ZINC000639758276 429972907 /nfs/dbraw/zinc/97/29/07/429972907.db2.gz SJKZKJWHGVBXRS-UHFFFAOYSA-N 2 0 303.450 2.625 20 0 DFADRP CC[C@@H](OCCN1CCC[C@](O)(C[NH+](C)C)C1)c1ccccc1 ZINC000639764699 429973017 /nfs/dbraw/zinc/97/30/17/429973017.db2.gz WPARCHNTQFMWHH-MOPGFXCFSA-N 2 0 320.477 2.543 20 0 DFADRP C[NH+]1CCC2(CC[N@H+](Cc3nc(-c4ccsc4)no3)C2)CC1 ZINC000639765076 429973095 /nfs/dbraw/zinc/97/30/95/429973095.db2.gz ZDSSSYDLCRQAQD-UHFFFAOYSA-N 2 0 318.446 2.716 20 0 DFADRP Cc1ccc(C[N@@H+]2CC[C@H](N[C@H]3CC[NH+]4CCC[C@H]4C3)C2)cc1 ZINC000631258873 429981505 /nfs/dbraw/zinc/98/15/05/429981505.db2.gz DIHJJAYGNWGICZ-UFYCRDLUSA-N 2 0 313.489 2.786 20 0 DFADRP C[C@H]1C[N@H+](C[C@@]2(O)CCN(Cc3ccccc3)C2)CCC1(F)F ZINC000639646889 429930803 /nfs/dbraw/zinc/93/08/03/429930803.db2.gz VIBUXIXXOMFEFG-RDJZCZTQSA-N 2 0 324.415 2.601 20 0 DFADRP CSC[C@H](O)C[NH2+]Cc1ccccc1C[N@@H+]1CCCC[C@@H]1C ZINC000574444303 430042625 /nfs/dbraw/zinc/04/26/25/430042625.db2.gz XDWJKTMMIKGKOW-MAUKXSAKSA-N 2 0 322.518 2.875 20 0 DFADRP CC[NH2+]CCC[NH2+]C1CCN(C(=O)c2ccccc2Cl)CC1 ZINC000574440920 430042824 /nfs/dbraw/zinc/04/28/24/430042824.db2.gz UISHGJGBAQMPTB-UHFFFAOYSA-N 2 0 323.868 2.534 20 0 DFADRP CCCCNC(=O)[C@H](C)N1CCC(CC)([NH+]2CCCC2)CC1 ZINC000639988354 430045902 /nfs/dbraw/zinc/04/59/02/430045902.db2.gz PWJIOGKDDOJHPY-INIZCTEOSA-N 2 0 309.498 2.632 20 0 DFADRP CN(Cc1nc2cc(Cl)ccc2c(=O)[nH]1)[C@@H]1CCC[NH2+]CC1 ZINC000573967296 430000032 /nfs/dbraw/zinc/00/00/32/430000032.db2.gz UNLFSKACLLZXKR-GFCCVEGCSA-N 2 0 320.824 2.563 20 0 DFADRP C[NH+](C)CCOC1CC[NH+](Cc2ccc3cc[nH]c3c2)CC1 ZINC000529526649 430022659 /nfs/dbraw/zinc/02/26/59/430022659.db2.gz GYRYTRNGWDCPGU-UHFFFAOYSA-N 2 0 301.434 2.711 20 0 DFADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C[NH2+][C@@H]1CCCC[C@H]1O ZINC000634723659 430089579 /nfs/dbraw/zinc/08/95/79/430089579.db2.gz AGUSFAQSFRDAKK-QXCFHYIPSA-N 2 0 302.462 2.648 20 0 DFADRP COc1cc(C)c(C[NH2+][C@@H]2CC[NH2+]CC(C)(C)C2)cc1OC ZINC000634732554 430094301 /nfs/dbraw/zinc/09/43/01/430094301.db2.gz IXGRWOYSTUZZBU-OAHLLOKOSA-N 2 0 306.450 2.880 20 0 DFADRP CO[C@H](Cc1ccc(F)cc1)C[N@@H+]1C[C@H](C[NH3+])[C@H](C)C[C@@H]1C ZINC000530226143 430105980 /nfs/dbraw/zinc/10/59/80/430105980.db2.gz PXORYXYERMCMPF-YQYZPQCESA-N 2 0 308.441 2.688 20 0 DFADRP CCC[NH+](CCC)CCCC(=O)N[C@H]1CC[NH2+]CC(C)(C)C1 ZINC000634761737 430106232 /nfs/dbraw/zinc/10/62/32/430106232.db2.gz IBPQXCFABLGXTP-INIZCTEOSA-N 2 0 311.514 2.783 20 0 DFADRP c1ccc(OCCC[NH+]2CCC(CO[C@@H]3CC[NH2+]C3)CC2)cc1 ZINC000530239229 430106958 /nfs/dbraw/zinc/10/69/58/430106958.db2.gz FQZKNHGZSZMOTL-LJQANCHMSA-N 2 0 318.461 2.546 20 0 DFADRP CC1(C)C[NH2+]CC[C@H](NC(=O)CC[C@@H]([NH3+])CC2CCCCC2)C1 ZINC000634764206 430107676 /nfs/dbraw/zinc/10/76/76/430107676.db2.gz NHACRWPXNKRWRJ-SJORKVTESA-N 2 0 323.525 2.959 20 0 DFADRP C[C@H](C[NH3+])C[NH2+][C@@H](C)CC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000560942850 430072214 /nfs/dbraw/zinc/07/22/14/430072214.db2.gz VWZOBEJHUCKCBI-MNOVXSKESA-N 2 0 317.355 2.607 20 0 DFADRP C[N@@H+]1C[C@@H](C[NH2+][C@H]2CCOC(C)(C)C2)[C@H](c2ccccc2)C1 ZINC000634685989 430077169 /nfs/dbraw/zinc/07/71/69/430077169.db2.gz ZFRRAIRQHRRCFM-SQNIBIBYSA-N 2 0 302.462 2.879 20 0 DFADRP c1ccc(-c2noc(CN3CCCC[C@@H]3[C@@H]3CC[NH2+]C3)n2)cc1 ZINC000561278939 430084842 /nfs/dbraw/zinc/08/48/42/430084842.db2.gz UZTQCYFEFXLEIU-HZPDHXFCSA-N 2 0 312.417 2.701 20 0 DFADRP CC1(C)[C@H](OCc2ccccc2)C[C@@H]1[NH2+]CC1CC[NH2+]CC1 ZINC000580827875 430155710 /nfs/dbraw/zinc/15/57/10/430155710.db2.gz XXGDWRFFUFJCSL-ZWKOTPCHSA-N 2 0 302.462 2.960 20 0 DFADRP CC(C)[NH2+]CCC[NH2+]C1CCN(c2ccc(F)cc2F)CC1 ZINC000581125256 430179472 /nfs/dbraw/zinc/17/94/72/430179472.db2.gz AUPNFHFIKZLVEA-UHFFFAOYSA-N 2 0 311.420 2.911 20 0 DFADRP C[NH+](C)CCCOc1cnccc1C[NH2+][C@H]1CCC[C@H]2C[C@H]21 ZINC000580885764 430160357 /nfs/dbraw/zinc/16/03/57/430160357.db2.gz OUXPLUZQSIUWTP-UAGQMJEPSA-N 2 0 303.450 2.690 20 0 DFADRP CC[NH+]1CCC(CNC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)CC1 ZINC000562658092 430161089 /nfs/dbraw/zinc/16/10/89/430161089.db2.gz SYUAYARWVYWDDN-SFHVURJKSA-N 2 0 321.509 2.632 20 0 DFADRP [NH3+][C@H]1CCCCC[C@@H]1[NH2+]CC1(CO)CC(c2ccccc2)C1 ZINC000580946275 430163813 /nfs/dbraw/zinc/16/38/13/430163813.db2.gz TYULXPHKKVCOFR-YBXZHIRMSA-N 2 0 302.462 2.792 20 0 DFADRP COc1cc(F)cc(OC)c1C[NH+]1CCC(C[NH+](C)C)CC1 ZINC000637906611 430167285 /nfs/dbraw/zinc/16/72/85/430167285.db2.gz BLYIKRNQSMZCHW-UHFFFAOYSA-N 2 0 310.413 2.617 20 0 DFADRP Cn1ccnc1[C@@H](C1CC1)[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000637905926 430167552 /nfs/dbraw/zinc/16/75/52/430167552.db2.gz OMNMKBNNQZNTIM-QGZVFWFLSA-N 2 0 302.466 2.679 20 0 DFADRP CC(C)(C[NH2+]CCC(=O)Nc1ccccc1)C[NH+]1CCCC1 ZINC000581066634 430174061 /nfs/dbraw/zinc/17/40/61/430174061.db2.gz GBDXUBLJSWYDCL-UHFFFAOYSA-N 2 0 303.450 2.727 20 0 DFADRP Cc1cc2ccccc2nc1NCCC[N@@H+]1CCCO[C@H](C)C1 ZINC000562412696 430130234 /nfs/dbraw/zinc/13/02/34/430130234.db2.gz GGXLVWDUXQCGFN-MRXNPFEDSA-N 2 0 313.445 3.456 20 0 DFADRP C[C@H](C[NH2+][C@@H]1CCN([C@H](C)c2ccccc2)C1)Cn1cccn1 ZINC000562490896 430137835 /nfs/dbraw/zinc/13/78/35/430137835.db2.gz FGRLJIYPMWZDFK-ZHALLVOQSA-N 2 0 312.461 2.944 20 0 DFADRP CC(C)CC[C@@H]([NH3+])C(=O)NC[C@@H]([NH3+])c1ccc(C(C)C)cc1 ZINC000637833305 430141573 /nfs/dbraw/zinc/14/15/73/430141573.db2.gz RMHGTBAVEGBTPG-IAGOWNOFSA-N 2 0 305.466 2.690 20 0 DFADRP C[C@H]1C[C@H](N(C)CC23CC(C2)C[NH2+]3)CC[N@@H+]1Cc1ccccc1 ZINC000634992469 430184961 /nfs/dbraw/zinc/18/49/61/430184961.db2.gz PYXOYYZBLLAXJN-OXHPOLQJSA-N 2 0 313.489 2.723 20 0 DFADRP Nc1ccc(-c2cccc(C[N@@H+]3C[C@@H]4CCC[C@H]([NH3+])[C@@H]4C3)n2)cc1 ZINC000634991390 430185718 /nfs/dbraw/zinc/18/57/18/430185718.db2.gz CCTBNAHATFNCDE-IPELMVKDSA-N 2 0 322.456 2.890 20 0 DFADRP C[N@@H+]1CCCN(CCC[NH2+][C@@H]2CCc3cc(Cl)ccc32)CC1 ZINC000128591672 277051585 /nfs/dbraw/zinc/05/15/85/277051585.db2.gz JBIBMBBEMSGSJJ-GOSISDBHSA-N 2 0 321.896 2.945 20 0 DFADRP C[N@@H+]1CCC[C@@H]1CC[NH2+]C1(Cc2cccc(F)c2)CCOCC1 ZINC000293157639 277061730 /nfs/dbraw/zinc/06/17/30/277061730.db2.gz VJINDEUTZZYNNM-GOSISDBHSA-N 2 0 320.452 2.991 20 0 DFADRP COc1cccc(C2(C[NH2+]CC34CC(C3)C[NH2+]4)CCCC2)c1 ZINC000634996020 430187338 /nfs/dbraw/zinc/18/73/38/430187338.db2.gz WQBRWTXMDSSUND-UHFFFAOYSA-N 2 0 300.446 2.849 20 0 DFADRP C[C@@H]1C[C@@H](C[NH2+][C@H](CO)c2cccc(C(F)(F)F)c2)CC[NH2+]1 ZINC000634997059 430187405 /nfs/dbraw/zinc/18/74/05/430187405.db2.gz BTWYSAUNDHHLDE-TYNCELHUSA-N 2 0 316.367 2.717 20 0 DFADRP C[N@@H+]1CCC[C@@H]2CN([C@H]3CC[NH+](Cc4ccccc4)C3)CC[C@@H]21 ZINC000271252643 277069857 /nfs/dbraw/zinc/06/98/57/277069857.db2.gz FWYBISBXNWNNKW-AABGKKOBSA-N 2 0 313.489 2.677 20 0 DFADRP CCO[C@@H]1C[C@H]([NH2+]CC[C@@H]([NH3+])Cc2ccccc2)C12CCC2 ZINC000635007977 430194723 /nfs/dbraw/zinc/19/47/23/430194723.db2.gz QMOBBEKQZBUZPN-FGTMMUONSA-N 2 0 302.462 2.884 20 0 DFADRP [NH3+][C@@H]1CCC[C@H]([NH2+][C@H](CCO)c2ccc(Cl)c(F)c2)C1 ZINC000634997475 430188957 /nfs/dbraw/zinc/18/89/57/430188957.db2.gz LYRABVWDKBDISZ-TYNCELHUSA-N 2 0 300.805 2.762 20 0 DFADRP C[C@@H]1C[N@H+](Cc2ccccc2OCc2cccnc2)C[C@@H]1C[NH3+] ZINC000634999058 430189226 /nfs/dbraw/zinc/18/92/26/430189226.db2.gz PGKGGIGBCUEFJI-QAPCUYQASA-N 2 0 311.429 2.687 20 0 DFADRP C[C@@H]1C[N@H+](Cc2ccc(N(C)c3ccccc3)nc2)C[C@H]1C[NH3+] ZINC000634998767 430189487 /nfs/dbraw/zinc/18/94/87/430189487.db2.gz KPMPGXSBLMEVQA-NVXWUHKLSA-N 2 0 310.445 2.876 20 0 DFADRP [NH3+][C@@H]1CCC[C@@H]([NH2+][C@H](CCO)c2ccc(Cl)c(F)c2)C1 ZINC000634997474 430190317 /nfs/dbraw/zinc/19/03/17/430190317.db2.gz LYRABVWDKBDISZ-LALPHHSUSA-N 2 0 300.805 2.762 20 0 DFADRP CCOc1cc(C[N@@H+]2C[C@@H](C)[C@@H](C[NH3+])C2)ccc1OC(F)F ZINC000635000536 430190675 /nfs/dbraw/zinc/19/06/75/430190675.db2.gz QBWPDVJZFUYAKP-YPMHNXCESA-N 2 0 314.376 2.713 20 0 DFADRP C[C@H](NC[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C)c1c[nH+]ccc1N ZINC000635002995 430191034 /nfs/dbraw/zinc/19/10/34/430191034.db2.gz DEMCJLXYHVSTGW-XYJFISCASA-N 2 0 324.472 2.913 20 0 DFADRP CCCCOc1cc(C[N@H+]2C[C@@H](C[NH3+])[C@H](C)C2)ccc1OC ZINC000635000789 430191281 /nfs/dbraw/zinc/19/12/81/430191281.db2.gz VRSOXILZGZXRCV-GDBMZVCRSA-N 2 0 306.450 2.901 20 0 DFADRP C[C@@H]1C[C@H](C)CN(C(=O)C[N@H+](C)CCCC[NH+]2CCCCC2)C1 ZINC000640530748 430192040 /nfs/dbraw/zinc/19/20/40/430192040.db2.gz CDQBETIOMJUFDP-HDICACEKSA-N 2 0 323.525 2.689 20 0 DFADRP CCO[C@@H]1C[C@H]([NH2+][C@H]2CC[C@H](C[NH3+])CC2)[C@@H]1Oc1ccccc1 ZINC000635005716 430193018 /nfs/dbraw/zinc/19/30/18/430193018.db2.gz OXKDSGPBJVCLIL-JAQSECSASA-N 2 0 318.461 2.719 20 0 DFADRP C[N@H+](CCCC[NH+]1CCCCC1)C[C@H](O)Cc1ccc(F)cc1 ZINC000640534898 430193081 /nfs/dbraw/zinc/19/30/81/430193081.db2.gz XECTWTSFBVDUBB-LJQANCHMSA-N 2 0 322.468 2.927 20 0 DFADRP Fc1cccc2c1CC[C@@H]2Nc1cc(N2CC[NH2+]CC2)cc[nH+]1 ZINC000635007645 430193133 /nfs/dbraw/zinc/19/31/33/430193133.db2.gz FUZHAUPHZPJZIF-KRWDZBQOSA-N 2 0 312.392 2.730 20 0 DFADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)NCC[C@@H]([NH3+])Cc1ccccc1 ZINC000635004505 430193233 /nfs/dbraw/zinc/19/32/33/430193233.db2.gz FFCVXDRXSFIGSB-QRQLOZEOSA-N 2 0 303.494 2.847 20 0 DFADRP C[N@H+](CCCC[NH+]1CCCCC1)[C@@H]1CCN(C(C)(C)C)C1=O ZINC000640534069 430193403 /nfs/dbraw/zinc/19/34/03/430193403.db2.gz KLOVYHUHTOGVQI-MRXNPFEDSA-N 2 0 309.498 2.584 20 0 DFADRP CC(=O)N1CC[C@@H]([NH2+][C@H]2CC[C@H](C[NH3+])CC2)c2ccccc2C1 ZINC000635008060 430193472 /nfs/dbraw/zinc/19/34/72/430193472.db2.gz YQAZXCIOYWLLMG-SZVBFZGTSA-N 2 0 315.461 2.587 20 0 DFADRP CCc1cc(N[C@@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)nc(C)n1 ZINC000542019065 430200610 /nfs/dbraw/zinc/20/06/10/430200610.db2.gz FFDBYDDLUFSIRI-ZFWWWQNUSA-N 2 0 302.466 3.412 20 0 DFADRP CC[N@@H+]1CC[C@@H](N(C)c2nc(C)nc3c2CCCC3)[C@H](C)C1 ZINC000542020209 430200930 /nfs/dbraw/zinc/20/09/30/430200930.db2.gz UJWJUIHSWIMMQT-CXAGYDPISA-N 2 0 302.466 2.830 20 0 DFADRP C[C@H]([NH2+][C@@H]1CC[NH2+]CC(C)(C)C1)c1ccc2[nH]c(=O)oc2c1 ZINC000635008239 430195810 /nfs/dbraw/zinc/19/58/10/430195810.db2.gz CPGGFGYGFMZQQR-WCQYABFASA-N 2 0 303.406 2.962 20 0 DFADRP C[C@H]([NH2+][C@H]1CC[NH2+]CC(C)(C)C1)c1ccc(-n2cncn2)cc1 ZINC000635012449 430196390 /nfs/dbraw/zinc/19/63/90/430196390.db2.gz UCCMLKHPQDQEJF-HOCLYGCPSA-N 2 0 313.449 2.696 20 0 DFADRP c1ccc(C[C@H]2CN(Cc3ccc4c(c3)C[NH2+]CC4)CCO2)cc1 ZINC000581315840 430197577 /nfs/dbraw/zinc/19/75/77/430197577.db2.gz VICPDNJTAMLNAE-NRFANRHFSA-N 2 0 322.452 2.776 20 0 DFADRP COc1ccc(COCCC[NH2+][C@@H](C)[C@H]2CCC[NH2+]C2)cc1 ZINC000581304658 430197926 /nfs/dbraw/zinc/19/79/26/430197926.db2.gz VKYVKVQZVMDXDM-RDJZCZTQSA-N 2 0 306.450 2.580 20 0 DFADRP OC[C@H](C[NH2+][C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1)c1ccc(Cl)cc1 ZINC000635013081 430198260 /nfs/dbraw/zinc/19/82/60/430198260.db2.gz BYNROGBEUITKHM-DZJNRPSUSA-N 2 0 322.880 2.926 20 0 DFADRP FCCC[C@@H]1CCC[C@@H]1Nc1cc(N2CC[NH2+]CC2)cc[nH+]1 ZINC000635012862 430198634 /nfs/dbraw/zinc/19/86/34/430198634.db2.gz WIEMKXPBRRAVHB-HOCLYGCPSA-N 2 0 306.429 2.822 20 0 DFADRP CC(C)[NH2+]C1CC[NH+](C[C@H]2CCN(c3ccccc3)C2)CC1 ZINC000637999040 430200287 /nfs/dbraw/zinc/20/02/87/430200287.db2.gz MWVNMSLAZPXNGH-QGZVFWFLSA-N 2 0 301.478 2.975 20 0 DFADRP [NH3+][C@@H]1CCC[C@@H]([NH2+]CCc2ccccc2OC(F)(F)F)C1 ZINC000581439703 430209813 /nfs/dbraw/zinc/20/98/13/430209813.db2.gz FLDDFJDGXUSCHN-CHWSQXEVSA-N 2 0 302.340 2.987 20 0 DFADRP COC(=O)C[C@@H]1CC[C@H]([NH2+]C[C@@H]2CCC[N@H+](CC(C)C)C2)[C@@H]1C ZINC000354571130 277326184 /nfs/dbraw/zinc/32/61/84/277326184.db2.gz LKHLSAAWQKCDCV-OWSLCNJRSA-N 2 0 324.509 2.922 20 0 DFADRP CC(C)C(=O)N1CCC([NH2+][C@@H](C)C[C@H]2CCCCC[NH2+]2)CC1 ZINC000262298572 277328094 /nfs/dbraw/zinc/32/80/94/277328094.db2.gz OICCCLVAQOYVPE-DOTOQJQBSA-N 2 0 309.498 2.534 20 0 DFADRP CC[C@](C)(C[N@@H+]1CCCN(Cc2nccn2C(C)C)CC1)OC ZINC000638047131 430219119 /nfs/dbraw/zinc/21/91/19/430219119.db2.gz ZBPIPLTWNUOBCB-GOSISDBHSA-N 2 0 322.497 2.787 20 0 DFADRP CC(C)CC[C@H]([NH3+])C(=O)NC[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000638050156 430219483 /nfs/dbraw/zinc/21/94/83/430219483.db2.gz LOHHUSRBGORWMZ-ROUUACIJSA-N 2 0 317.477 2.703 20 0 DFADRP CC(C)CC[C@@H]([NH3+])C(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000638053099 430221119 /nfs/dbraw/zinc/22/11/19/430221119.db2.gz GMDMZKYKYJMCJG-GOSISDBHSA-N 2 0 317.477 2.662 20 0 DFADRP C[C@@H]([NH2+]CC1CC[NH2+]CC1)c1ncc(Br)s1 ZINC000565710383 430222856 /nfs/dbraw/zinc/22/28/56/430222856.db2.gz MBCXEGFLGOBITB-MRVPVSSYSA-N 2 0 304.257 2.556 20 0 DFADRP CC[NH2+][C@@H](C)C(=O)NCc1ccc(C[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000638064390 430223825 /nfs/dbraw/zinc/22/38/25/430223825.db2.gz SYRZBCWDJNEKQI-HOTGVXAUSA-N 2 0 317.477 2.675 20 0 DFADRP CC(C)C[N@@H+]1CCCN(C(=O)c2cccc(C[NH+](C)C)c2)CC1 ZINC000369926886 277389642 /nfs/dbraw/zinc/38/96/42/277389642.db2.gz LZBBBIORSXUDFW-UHFFFAOYSA-N 2 0 317.477 2.552 20 0 DFADRP C[C@H](C(=O)NC[C@@H](c1cccs1)[NH+]1CCC(C)CC1)[NH+](C)C ZINC000635114605 430212438 /nfs/dbraw/zinc/21/24/38/430212438.db2.gz YBFZTJVHWUBSDH-CABCVRRESA-N 2 0 323.506 2.587 20 0 DFADRP C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)CC[C@H]([NH3+])c1ccccc1 ZINC000566163408 430246420 /nfs/dbraw/zinc/24/64/20/430246420.db2.gz ZCLPXGYOKQBCDC-NUJGCVRESA-N 2 0 317.477 2.703 20 0 DFADRP CC[NH+](CC)CCO[C@H]1CC[N@H+](CC2CCSCC2)C1 ZINC000638134683 430249029 /nfs/dbraw/zinc/24/90/29/430249029.db2.gz QADOUQLFTSFCHA-INIZCTEOSA-N 2 0 300.512 2.562 20 0 DFADRP C[C@H]1CCC[N@H+](CCCCNC(=O)C[NH+](C)CC(C)(C)C)C1 ZINC000635324254 430254343 /nfs/dbraw/zinc/25/43/43/430254343.db2.gz GFBIGZRZHPIVAW-INIZCTEOSA-N 2 0 311.514 2.593 20 0 DFADRP C[C@H]1CCCC[N@@H+]1CCCCNC(=O)C12CCC[NH+](CCC1)C2 ZINC000635325071 430255837 /nfs/dbraw/zinc/25/58/37/430255837.db2.gz LQGGBTXLSZXWTG-KRWDZBQOSA-N 2 0 321.509 2.633 20 0 DFADRP C[C@H]([NH2+]Cc1ccc(N2CCCCC2)nc1)[C@H]1CCC[NH2+]C1 ZINC000581997111 430258556 /nfs/dbraw/zinc/25/85/56/430258556.db2.gz WTVFCONQMPKGGO-RDJZCZTQSA-N 2 0 302.466 2.550 20 0 DFADRP C[NH+](C)CC1(C(=O)Nc2ccc(CC[NH+]3CCCC3)cc2)CC1 ZINC000635417305 430274543 /nfs/dbraw/zinc/27/45/43/430274543.db2.gz SIDDWAFRTMJXOT-UHFFFAOYSA-N 2 0 315.461 2.605 20 0 DFADRP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+][C@H]1CCOC2(CCC2)C1 ZINC000544182256 430275832 /nfs/dbraw/zinc/27/58/32/430275832.db2.gz YKIFPSHXVARBIF-INIZCTEOSA-N 2 0 312.417 2.767 20 0 DFADRP [NH3+][C@@H]1CCC[C@@H]([NH2+]CCc2cc(Cl)c3c(c2)OCCO3)C1 ZINC000567179969 430279698 /nfs/dbraw/zinc/27/96/98/430279698.db2.gz ZWHLHWXWPUMAFV-CHWSQXEVSA-N 2 0 310.825 2.513 20 0 DFADRP COCC[C@@H](Cc1ccco1)[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000544368659 430279980 /nfs/dbraw/zinc/27/99/80/430279980.db2.gz PWOYROJVYPNHDL-KRWDZBQOSA-N 2 0 306.450 2.691 20 0 DFADRP Cc1cc(C)c(NC(=O)N2CC[C@]3(C2)CCC[NH2+]C3)c(C)n1 ZINC000567221351 430281854 /nfs/dbraw/zinc/28/18/54/430281854.db2.gz HIDFPGJABMEUOE-QGZVFWFLSA-N 2 0 302.422 2.614 20 0 DFADRP C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)Cc1cnc(-c2ccccn2)s1 ZINC000582268869 430283132 /nfs/dbraw/zinc/28/31/32/430283132.db2.gz GXCNTZVIHADVNJ-CJNGLKHVSA-N 2 0 316.474 2.977 20 0 DFADRP CC(C)CC[C@H]([NH3+])C(=O)N[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000638083896 430230744 /nfs/dbraw/zinc/23/07/44/430230744.db2.gz OWMQUSLYEAEOGA-NXHRZFHOSA-N 2 0 317.477 2.702 20 0 DFADRP CC(C)CC[C@H]([NH3+])C(=O)N[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000638083898 430231011 /nfs/dbraw/zinc/23/10/11/430231011.db2.gz OWMQUSLYEAEOGA-SZMVWBNQSA-N 2 0 317.477 2.702 20 0 DFADRP CC1=C[C@@H](C)C[C@H](C[NH2+]C(C)(C)CCN2CC[NH+](C)CC2)C1 ZINC000581695982 430232296 /nfs/dbraw/zinc/23/22/96/430232296.db2.gz NJACJYWGCBGDJE-AEFFLSMTSA-N 2 0 307.526 2.985 20 0 DFADRP Cc1ccc([C@H](CNC(=O)[C@H]([NH3+])CCC(C)C)[NH+]2CCCC2)o1 ZINC000638097078 430235486 /nfs/dbraw/zinc/23/54/86/430235486.db2.gz VFEYQKRZILOYSI-CVEARBPZSA-N 2 0 321.465 2.605 20 0 DFADRP CC[NH+](CC)CCn1ccc2cc(NC(=O)[C@H](C)C[NH3+])ccc21 ZINC000581723627 430236025 /nfs/dbraw/zinc/23/60/25/430236025.db2.gz NKOVQOXBLVOCSM-CQSZACIVSA-N 2 0 316.449 2.516 20 0 DFADRP C[C@H](C(=O)Nc1ccc(Cl)cc1)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000581726934 430236205 /nfs/dbraw/zinc/23/62/05/430236205.db2.gz SDYFXHYCNAMUHF-DYVFJYSZSA-N 2 0 321.852 2.743 20 0 DFADRP COCCc1ncc(CN2CCC[C@H]([NH+]3CCCC3)CC2)s1 ZINC000638104518 430237849 /nfs/dbraw/zinc/23/78/49/430237849.db2.gz IXPWBDTUCWRELX-HNNXBMFYSA-N 2 0 323.506 2.782 20 0 DFADRP CC(C)CC[C@@H]([NH3+])C(=O)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000638102404 430238044 /nfs/dbraw/zinc/23/80/44/430238044.db2.gz USILEIWAAZRBHM-ZWKOTPCHSA-N 2 0 323.525 2.865 20 0 DFADRP CC(C)[N@@H+]1CCC[C@@H](C[NH2+]CCC(=O)Nc2cccc(F)c2)C1 ZINC000566109301 430240400 /nfs/dbraw/zinc/24/04/00/430240400.db2.gz OMWFOTFUBJWZED-HNNXBMFYSA-N 2 0 321.440 2.864 20 0 DFADRP CC(C)[N@@H+]1CCC[C@H](C[NH2+]CCC(=O)Nc2cccc(F)c2)C1 ZINC000566109302 430240617 /nfs/dbraw/zinc/24/06/17/430240617.db2.gz OMWFOTFUBJWZED-OAHLLOKOSA-N 2 0 321.440 2.864 20 0 DFADRP C[C@H]([NH2+]C[C@@H]1CCC[C@@H]([NH3+])C1)c1ccc2c(c1)CCC(=O)N2 ZINC000566092649 430241176 /nfs/dbraw/zinc/24/11/76/430241176.db2.gz FHMSEGAOPZZAGD-WOSRLPQWSA-N 2 0 301.434 2.739 20 0 DFADRP CC[NH+]1CCN(c2ccccc2N[C@@H](C)[C@@H]2CCC[NH2+]C2)CC1 ZINC000582295397 430286627 /nfs/dbraw/zinc/28/66/27/430286627.db2.gz HBXUDVRCLQLLJC-DLBZAZTESA-N 2 0 316.493 2.629 20 0 DFADRP CC(C)(O)C[NH+]1CCC([NH2+]CCc2cccc(Cl)c2)CC1 ZINC000638280948 430292809 /nfs/dbraw/zinc/29/28/09/430292809.db2.gz HFSYSWCULQCWII-UHFFFAOYSA-N 2 0 310.869 2.707 20 0 DFADRP c1ccc(N2CC[C@@H](C[NH2+]CCC[NH+]3CCCCC3)C2)cc1 ZINC000638306609 430298653 /nfs/dbraw/zinc/29/86/53/430298653.db2.gz FFSNCBRCLSXYQE-SFHVURJKSA-N 2 0 301.478 2.979 20 0 DFADRP CCO[C@@H]1C[C@@H]([NH2+]CCC[N@@H+]2CCCC[C@H]2C)[C@]12CCCO2 ZINC000638302678 430299047 /nfs/dbraw/zinc/29/90/47/430299047.db2.gz KWOYSOWWCRLULH-BRSBDYLESA-N 2 0 310.482 2.567 20 0 DFADRP Cc1ccc(SCC[NH2+]C2CC[NH+](CC(C)(C)O)CC2)cc1 ZINC000638304993 430299594 /nfs/dbraw/zinc/29/95/94/430299594.db2.gz OELNTFWAHQODFO-UHFFFAOYSA-N 2 0 322.518 2.912 20 0 DFADRP C[NH+](C)CC1(C[NH2+]C[C@@H](O)CCc2ccccc2)CCCC1 ZINC000582482559 430304454 /nfs/dbraw/zinc/30/44/54/430304454.db2.gz IUDNXLLOQRLFMN-SFHVURJKSA-N 2 0 304.478 2.692 20 0 DFADRP C[C@@H]([NH2+]C1(CNC(=O)[C@@H](C)[NH+](C)C)CCCC1)c1ccccc1 ZINC000635561588 430308253 /nfs/dbraw/zinc/30/82/53/430308253.db2.gz FXHBDZCJBXJDOG-HZPDHXFCSA-N 2 0 317.477 2.716 20 0 DFADRP CCC1([NH+](C)C)CCN(C(=O)CC[C@H]2CCCC[N@@H+]2C)CC1 ZINC000641036907 430310888 /nfs/dbraw/zinc/31/08/88/430310888.db2.gz NQPXKYHHGGROFP-MRXNPFEDSA-N 2 0 309.498 2.584 20 0 DFADRP C[C@@H]1C[C@@H](C)C[NH+](CCCC[NH2+]C2CC(n3cccn3)C2)C1 ZINC000638371930 430320756 /nfs/dbraw/zinc/32/07/56/430320756.db2.gz UVUNFTUHROTWOV-MRLCAUJQSA-N 2 0 304.482 2.934 20 0 DFADRP COc1ccccc1C[C@@H](C)[N@H+](C)CCCc1cncn1C ZINC000568165797 430322547 /nfs/dbraw/zinc/32/25/47/430322547.db2.gz XSUPAAHLAYCMDU-OAHLLOKOSA-N 2 0 301.434 2.924 20 0 DFADRP O=C(NC1CC[NH+](C2CCCC2)CC1)[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000635651232 430336168 /nfs/dbraw/zinc/33/61/68/430336168.db2.gz IHQLVTUVTMSNJC-SFHVURJKSA-N 2 0 319.493 2.527 20 0 DFADRP C[NH+](C)[C@H]1CCc2cc(NC(=O)C[N@@H+]3CCC(C)(C)C3)ccc21 ZINC000568230279 430337500 /nfs/dbraw/zinc/33/75/00/430337500.db2.gz VQUQRPVSWJSAGQ-KRWDZBQOSA-N 2 0 315.461 2.906 20 0 DFADRP CCCC[N@H+](CC)Cc1cccc(CNC(=O)[C@@H](C)[NH+](C)C)c1 ZINC000635666201 430340481 /nfs/dbraw/zinc/34/04/81/430340481.db2.gz SELZXVSVGBEREO-MRXNPFEDSA-N 2 0 319.493 2.875 20 0 DFADRP COc1ccc(C[C@@H](C)C[NH2+]CCN2CC[C@H](C)C2)cc1F ZINC000546009585 430341082 /nfs/dbraw/zinc/34/10/82/430341082.db2.gz MQJJAANDCJYZOS-LSDHHAIUSA-N 2 0 308.441 2.944 20 0 DFADRP CC[C@@H](C)[C@H]([NH3+])C(=O)N1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000568275067 430342571 /nfs/dbraw/zinc/34/25/71/430342571.db2.gz QRLOKGSBZVYCIA-NUJGCVRESA-N 2 0 323.525 2.863 20 0 DFADRP Cc1cn2ccc(C(=O)N3CC[C@@H](C)[C@@H](n4ccnc4)C3)cc2n1 ZINC000635683404 430346724 /nfs/dbraw/zinc/34/67/24/430346724.db2.gz WRHCIFXVMBNQKW-CJNGLKHVSA-N 2 0 323.400 2.563 20 0 DFADRP CO[C@H](C[NH2+]C1CC[NH+](CC2CCCC2)CC1)C1CCOCC1 ZINC000638454194 430347359 /nfs/dbraw/zinc/34/73/59/430347359.db2.gz LRSKFPNLQPJEMG-LJQANCHMSA-N 2 0 324.509 2.672 20 0 DFADRP C[NH+](C)CCN(CC[NH+](C)C)Cc1c(Cl)cccc1Cl ZINC000568328380 430348505 /nfs/dbraw/zinc/34/85/05/430348505.db2.gz RYXNIDUIHGKOMZ-UHFFFAOYSA-N 2 0 318.292 2.919 20 0 DFADRP CCC[C@@H](C[NH2+]Cc1ccccc1C[NH+]1CCC(O)CC1)OC ZINC000638721020 430416699 /nfs/dbraw/zinc/41/66/99/430416699.db2.gz VLMPAGKOPJGSFF-IBGZPJMESA-N 2 0 320.477 2.548 20 0 DFADRP COCCC[NH+]1CCC([NH2+]C[C@@H](OC)C2CCCCC2)CC1 ZINC000638484303 430355991 /nfs/dbraw/zinc/35/59/91/430355991.db2.gz WPWNXNVHGZLHBB-GOSISDBHSA-N 2 0 312.498 2.672 20 0 DFADRP Cc1ccc(C[NH+]2CCCC2)cc1NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC000635713245 430356399 /nfs/dbraw/zinc/35/63/99/430356399.db2.gz ZVSTYEGVMZTUPV-KRWDZBQOSA-N 2 0 315.461 2.871 20 0 DFADRP CC(C)C[N@@H+]1Cc2cccc(NC(=O)C[C@@H]3CC[NH+](C)C3)c2C1 ZINC000635717300 430357000 /nfs/dbraw/zinc/35/70/00/430357000.db2.gz NCRFEPITBVFETD-HNNXBMFYSA-N 2 0 315.461 2.939 20 0 DFADRP Fc1ccc2c(c1)C[C@H]([NH2+]C1CC[NH+](CC3CC3)CC1)CO2 ZINC000568438568 430358071 /nfs/dbraw/zinc/35/80/71/430358071.db2.gz YVECOTOXEFPTCW-KRWDZBQOSA-N 2 0 304.409 2.593 20 0 DFADRP CC(C)[NH+]1CCC(O)(C[NH2+]C2CC(C)(c3ccccc3)C2)CC1 ZINC000297827064 277585588 /nfs/dbraw/zinc/58/55/88/277585588.db2.gz ZJVRLOUFZCXKRC-UHFFFAOYSA-N 2 0 316.489 2.932 20 0 DFADRP CO[C@@](C)(C[NH2+]C[C@@H]1CC[N@H+](CCc2ccccc2)C1)C1CC1 ZINC000638521278 430366033 /nfs/dbraw/zinc/36/60/33/430366033.db2.gz FBPUQDMFUZGSMM-ICSRJNTNSA-N 2 0 316.489 2.956 20 0 DFADRP CO[C@@H](C[NH2+]C[C@H]1CC[N@H+](CCc2ccccc2)C1)C1CC1 ZINC000638521655 430367796 /nfs/dbraw/zinc/36/77/96/430367796.db2.gz NPEYHMQIANXLJW-MJGOQNOKSA-N 2 0 302.462 2.566 20 0 DFADRP O=C(Nc1ccccc1-n1ccnc1)[C@H](C1CC1)[NH+]1CCCC1 ZINC000546788233 430370787 /nfs/dbraw/zinc/37/07/87/430370787.db2.gz SKWIHKGSKSRKAU-KRWDZBQOSA-N 2 0 310.401 2.685 20 0 DFADRP C[C@@H]([NH2+]Cc1ccnc(N2CCCCC2)c1)[C@H]1CCC[NH2+]C1 ZINC000568617104 430374513 /nfs/dbraw/zinc/37/45/13/430374513.db2.gz GRQUWGILFWFWGD-WBVHZDCISA-N 2 0 302.466 2.550 20 0 DFADRP C[C@H](C[NH2+]C[C@@]1(C)C[C@@H]1c1ccccc1)CN1CC[NH+](C)CC1 ZINC000638550799 430374741 /nfs/dbraw/zinc/37/47/41/430374741.db2.gz JGMVQAWRPXYRRT-MISYRCLQSA-N 2 0 315.505 2.653 20 0 DFADRP C[C@@H](CCc1ccc(O)cc1)[NH2+]C1CC[NH+](CC(C)(C)O)CC1 ZINC000638550485 430375199 /nfs/dbraw/zinc/37/51/99/430375199.db2.gz NHRMVYOAXRCTEC-HNNXBMFYSA-N 2 0 320.477 2.538 20 0 DFADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+][C@H]1CCO[C@H](c2ccnn2C)C1 ZINC000583257115 430377161 /nfs/dbraw/zinc/37/71/61/430377161.db2.gz HBNDEKZUQUTRNM-CVYDXHPNSA-N 2 0 320.481 2.541 20 0 DFADRP C[NH+](C)CCc1ccccc1NC(=O)[C@H]1CC[N@@H+]1C1CCCC1 ZINC000635834448 430390292 /nfs/dbraw/zinc/39/02/92/430390292.db2.gz FGCGISWFTUQBRG-GOSISDBHSA-N 2 0 315.461 2.746 20 0 DFADRP CC(C)c1nc([C@@H](C)[NH2+]CCCC[NH+]2CCN(C)CC2)cs1 ZINC000547399732 430390831 /nfs/dbraw/zinc/39/08/31/430390831.db2.gz PUTLSQSUKCEAIV-OAHLLOKOSA-N 2 0 324.538 2.945 20 0 DFADRP CC[NH+](CC)Cc1ccc(NC(=O)C[C@H]2CC[N@H+](C)C2)cc1 ZINC000635850050 430393457 /nfs/dbraw/zinc/39/34/57/430393457.db2.gz TWFSOVZDZNAGDC-MRXNPFEDSA-N 2 0 303.450 2.809 20 0 DFADRP OC1CC(CC[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC000568835529 430395844 /nfs/dbraw/zinc/39/58/44/430395844.db2.gz ZGMLOGXZYGCEEC-NNUJQTDSSA-N 2 0 314.473 2.933 20 0 DFADRP Cn1cc(-c2ccc(C[NH2+]C[C@@H]3CCC[C@H]([NH3+])C3)s2)cn1 ZINC000568853365 430399122 /nfs/dbraw/zinc/39/91/22/430399122.db2.gz JVRDEUDVGDMJKN-OCCSQVGLSA-N 2 0 304.463 2.756 20 0 DFADRP CCN(C[C@@H]1CCC[N@@H+]1CC)C(=O)CC[C@H]1CCCC[NH+]1C ZINC000583518662 430402617 /nfs/dbraw/zinc/40/26/17/430402617.db2.gz GWNGPXVTFYZMPM-SJORKVTESA-N 2 0 309.498 2.584 20 0 DFADRP CC[C@H](C)[C@H]1CCCC[N@@H+]1CC(=O)NC1CC[NH+](C(C)C)CC1 ZINC000583557710 430407005 /nfs/dbraw/zinc/40/70/05/430407005.db2.gz XFCYRFAJEHMFRH-FUHWJXTLSA-N 2 0 323.525 2.876 20 0 DFADRP C[C@H]1CCCC[N@@H+]1CCC1CCN(C(=O)[C@]2(C)CCC[NH2+]2)CC1 ZINC000583937177 430442139 /nfs/dbraw/zinc/44/21/39/430442139.db2.gz CENJTQFNFHLCCM-LPHOPBHVSA-N 2 0 321.509 2.632 20 0 DFADRP CCc1ccccc1[C@H]([NH3+])CNC(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC000569360883 430448661 /nfs/dbraw/zinc/44/86/61/430448661.db2.gz YROWNSLJVVMWJN-MSOLQXFVSA-N 2 0 317.477 2.628 20 0 DFADRP C[NH+]1CCC(C[NH2+][C@@H]2CCCC23CC3)(N2CCCCC2)CC1 ZINC000584005228 430449905 /nfs/dbraw/zinc/44/99/05/430449905.db2.gz LWAYNCONYMXBEU-QGZVFWFLSA-N 2 0 305.510 2.859 20 0 DFADRP C[N@H+]1CC=C(C[NH2+]Cc2ccc3ccc(F)c(F)c3n2)CC1 ZINC000638837915 430450578 /nfs/dbraw/zinc/45/05/78/430450578.db2.gz AADUIVVYDDVNPD-UHFFFAOYSA-N 2 0 303.356 2.865 20 0 DFADRP CC(C)C[N@@H+]1CCC[C@H](C[NH2+]Cc2ccc3[nH]c(=O)[nH]c3c2)C1 ZINC000641741259 430456577 /nfs/dbraw/zinc/45/65/77/430456577.db2.gz FIZRHYGWAKZSLH-OAHLLOKOSA-N 2 0 316.449 2.726 20 0 DFADRP C[C@@H]1C[NH+](Cc2cccc(N[C@@H]3CCC[C@@H]([NH3+])C3)c2)C[C@@H](C)O1 ZINC000569473325 430456818 /nfs/dbraw/zinc/45/68/18/430456818.db2.gz XEPWMIXWINWVNR-FXRXJOCMSA-N 2 0 317.477 2.978 20 0 DFADRP COc1ccccc1N1CC[C@H]([NH2+][C@@H]2CCCCC[C@H]2[NH3+])C1 ZINC000569472741 430456894 /nfs/dbraw/zinc/45/68/94/430456894.db2.gz MVKYMEUNBPVCJG-ARFHVFGLSA-N 2 0 303.450 2.524 20 0 DFADRP Nc1cnccc1C[NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]12 ZINC000641746656 430458408 /nfs/dbraw/zinc/45/84/08/430458408.db2.gz BSHATQFEQAVCMJ-QWFCFKBJSA-N 2 0 322.456 2.664 20 0 DFADRP CC[NH+]1CCC(C[NH2+][C@@H](c2ccccc2)c2ccncn2)CC1 ZINC000569541705 430462558 /nfs/dbraw/zinc/46/25/58/430462558.db2.gz IBAZJLBTEIVDDP-IBGZPJMESA-N 2 0 310.445 2.888 20 0 DFADRP OCCCN1CCC[C@@H]1C[NH2+][C@H]1CCc2c1cccc2Cl ZINC000584154789 430463461 /nfs/dbraw/zinc/46/34/61/430463461.db2.gz CKJFZHMRRRLMNE-DYVFJYSZSA-N 2 0 308.853 2.764 20 0 DFADRP Cc1[nH+]c2cc(NC3CC[NH+](CC(C)(C)O)CC3)ccc2n1C ZINC000638881689 430464704 /nfs/dbraw/zinc/46/47/04/430464704.db2.gz MAWDQFDBLYOCGA-UHFFFAOYSA-N 2 0 316.449 2.529 20 0 DFADRP CC[N@@H+]1CC[C@H](N(C)C(=O)CC[NH+](C)C2CCCCC2)C[C@H]1C ZINC000548389172 430468336 /nfs/dbraw/zinc/46/83/36/430468336.db2.gz BYNNPKWZUSCJAS-AEFFLSMTSA-N 2 0 323.525 2.972 20 0 DFADRP CC[N@H+](Cc1ccc(C(=O)N2C[C@@H](C[NH3+])[C@H](C)C2)cc1)C(C)C ZINC000638894155 430469618 /nfs/dbraw/zinc/46/96/18/430469618.db2.gz PNYBJDMQBLWCFR-CRAIPNDOSA-N 2 0 317.477 2.584 20 0 DFADRP CC1(C)[C@H]([NH3+])C[C@@H]1[NH2+]CCc1nc(-c2cccc(Cl)c2)no1 ZINC000641803601 430475979 /nfs/dbraw/zinc/47/59/79/430475979.db2.gz UFPLKMWMWDELEU-OLZOCXBDSA-N 2 0 320.824 2.648 20 0 DFADRP CC1(C)[C@H]([NH2+]CCOc2cccc(Br)c2)C[C@@H]1[NH3+] ZINC000641802598 430476211 /nfs/dbraw/zinc/47/62/11/430476211.db2.gz NIBPLJBVNIVZNE-QWHCGFSZSA-N 2 0 313.239 2.543 20 0 DFADRP CC1(C)[C@@H]([NH3+])C[C@@H]1[NH2+]CCOc1ccc(C(F)(F)F)cc1 ZINC000641803959 430478834 /nfs/dbraw/zinc/47/88/34/430478834.db2.gz WJFORBKOVBGRRO-STQMWFEESA-N 2 0 302.340 2.800 20 0 DFADRP OCCC[NH+]1CCC2(CC1)CC[NH+](Cc1ccccc1)CC2 ZINC000585116200 430479554 /nfs/dbraw/zinc/47/95/54/430479554.db2.gz KYUYNFVYVAFCQR-UHFFFAOYSA-N 2 0 302.462 2.747 20 0 DFADRP CCCc1nc(C)c(C[N@@H+]2CCCC[C@@H]2[C@@H]2C[C@@H]([NH3+])CCO2)o1 ZINC000641821563 430482687 /nfs/dbraw/zinc/48/26/87/430482687.db2.gz LOXSYYXQUPEYRU-XHSDSOJGSA-N 2 0 321.465 2.796 20 0 DFADRP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCC[N@@H+]2C[C@@H]2CCC3(CCCC3)O2)C1 ZINC000641818038 430482791 /nfs/dbraw/zinc/48/27/91/430482791.db2.gz CCJLVBFFHAERKX-XDNAFOTISA-N 2 0 322.493 2.839 20 0 DFADRP CN(CCCC[NH+]1CCCCC1)C(=O)Nc1cccc(C[NH3+])c1 ZINC000641817078 430482915 /nfs/dbraw/zinc/48/29/15/430482915.db2.gz CVBOIXHVHIANDV-UHFFFAOYSA-N 2 0 318.465 2.875 20 0 DFADRP C[C@@H]([NH2+][C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1)C(C)(C)n1cncn1 ZINC000638969771 430483567 /nfs/dbraw/zinc/48/35/67/430483567.db2.gz IOQLTGDTESUQMR-ARFHVFGLSA-N 2 0 319.497 2.644 20 0 DFADRP CCC1([NH+](C)C)CCN(C(=O)[C@@H]([NH3+])c2cccc(Cl)c2)CC1 ZINC000638974581 430484924 /nfs/dbraw/zinc/48/49/24/430484924.db2.gz AVDKPBMFUYYFNX-HNNXBMFYSA-N 2 0 323.868 2.673 20 0 DFADRP CCC1([NH+](C)C)CCN(C(=O)CC2(C[NH3+])CCCCC2)CC1 ZINC000638975758 430486369 /nfs/dbraw/zinc/48/63/69/430486369.db2.gz PKTJTGHPKHDGOT-UHFFFAOYSA-N 2 0 309.498 2.619 20 0 DFADRP Cc1cccc([C@H](C)C(=O)Nc2cc(N3CC[NH2+]CC3)cc[nH+]2)c1 ZINC000638986562 430487960 /nfs/dbraw/zinc/48/79/60/430487960.db2.gz UCLPVSCGPPMIKW-HNNXBMFYSA-N 2 0 324.428 2.542 20 0 DFADRP CC[C@@H](CC(=O)Nc1cc(N2CC[NH2+]CC2)cc[nH+]1)C(C)C ZINC000638986723 430488624 /nfs/dbraw/zinc/48/86/24/430488624.db2.gz YZBBEUTUOXSFFG-AWEZNQCLSA-N 2 0 304.438 2.502 20 0 DFADRP C[NH+](C)CCC1CCN(C(=O)CC[N@H+](C)C2CCCCC2)CC1 ZINC000548715285 430494356 /nfs/dbraw/zinc/49/43/56/430494356.db2.gz ALBIOQUCUUOPJH-UHFFFAOYSA-N 2 0 323.525 2.831 20 0 DFADRP CC[N@@H+]1CC[C@@H](N(C)C(=O)CC[NH+](C)C2CCCCC2)[C@@H](C)C1 ZINC000548716790 430495175 /nfs/dbraw/zinc/49/51/75/430495175.db2.gz GDESCYNXCJDBMO-FUHWJXTLSA-N 2 0 323.525 2.830 20 0 DFADRP CC1(C)CCC[C@H](C[N@@H+]2CCC[C@H](n3cc(C[NH3+])nn3)C2)C1 ZINC000569909084 430496304 /nfs/dbraw/zinc/49/63/04/430496304.db2.gz LBBXNURFDIONOW-HOCLYGCPSA-N 2 0 305.470 2.590 20 0 DFADRP CC[NH+]1CCN(c2cccc(N[C@@H]3CC[N@H+](C)[C@@H](C)C3)c2)CC1 ZINC000639057342 430504992 /nfs/dbraw/zinc/50/49/92/430504992.db2.gz MUJISZUWOINFBB-FUHWJXTLSA-N 2 0 316.493 2.723 20 0 DFADRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+][C@H](C)[C@@H]1CC2CCC1CC2 ZINC000639057493 430505283 /nfs/dbraw/zinc/50/52/83/430505283.db2.gz RCGXZARANMZNTR-DEFHTRQUSA-N 2 0 307.526 2.817 20 0 DFADRP CC[NH+](CC)CCOCC[NH2+]Cc1cc2ccccc2n1C ZINC000639064244 430509611 /nfs/dbraw/zinc/50/96/11/430509611.db2.gz ZLVGFBYJRMKMTH-UHFFFAOYSA-N 2 0 303.450 2.626 20 0 DFADRP Cn1cc(CCC[NH2+]C(C)(C)CC[NH+]2CCCCCC2)cn1 ZINC000639065509 430509855 /nfs/dbraw/zinc/50/98/55/430509855.db2.gz IFAUWFGXRUHZES-UHFFFAOYSA-N 2 0 306.498 2.987 20 0 DFADRP CC[NH+](CC)CCO[C@H]1CC[N@H+](C[C@@H]2CCC3(CCCC3)O2)C1 ZINC000548918373 430511055 /nfs/dbraw/zinc/51/10/55/430511055.db2.gz PRKPXAROWRTJRG-ROUUACIJSA-N 2 0 324.509 2.911 20 0 DFADRP C[C@H](C(=O)N1CC[C@H](C[NH3+])c2ccccc21)[C@@H]([NH3+])c1ccccc1 ZINC000639069617 430511162 /nfs/dbraw/zinc/51/11/62/430511162.db2.gz YUCLZCSIYGSGGZ-ZSZQSSIHSA-N 2 0 323.440 2.802 20 0 DFADRP CC(C)C[C@H](CNC(=O)[C@@H]([NH3+])C(C)C)[NH2+][C@@H](C)c1ccccc1 ZINC000570160022 430518512 /nfs/dbraw/zinc/51/85/12/430518512.db2.gz UOEPXNHVGOJHRU-JQHSSLGASA-N 2 0 319.493 2.851 20 0 DFADRP CC(C)(O)C[NH+]1CCC([NH2+]Cc2ccc(C3CC3)cc2)CC1 ZINC000639099814 430523221 /nfs/dbraw/zinc/52/32/21/430523221.db2.gz RWYMOTJFBVBCPO-UHFFFAOYSA-N 2 0 302.462 2.889 20 0 DFADRP C[C@@H](CCCC(F)(F)F)[NH2+]C1CC[NH+](CC(C)(C)O)CC1 ZINC000639104948 430526046 /nfs/dbraw/zinc/52/60/46/430526046.db2.gz FDLSIFGKGIWZEK-LBPRGKRZSA-N 2 0 310.404 2.932 20 0 DFADRP C[N@@H+]1CCCC[C@@H]1C(=O)N1CCC[NH+](CC2CCCCC2)CC1 ZINC000599314578 430529895 /nfs/dbraw/zinc/52/98/95/430529895.db2.gz IADCBGUCSVKTOB-GOSISDBHSA-N 2 0 321.509 2.585 20 0 DFADRP C[N@@H+]1CCCC[C@@H]1CN1CC[NH+]([C@H]2C=CCCCCC2)CC1 ZINC000549822692 430533289 /nfs/dbraw/zinc/53/32/89/430533289.db2.gz WNGNOAIPVXJVEY-RBUKOAKNSA-N 2 0 305.510 2.977 20 0 DFADRP C[NH+]1CCN(c2cc[nH+]cc2NC2CCC3(CC3)CC2)CC1 ZINC000570500509 430547712 /nfs/dbraw/zinc/54/77/12/430547712.db2.gz HBHFGFDGYHPKLK-UHFFFAOYSA-N 2 0 300.450 2.968 20 0 DFADRP CC[NH+](CC)[C@@H](CNC(=O)c1ccccc1CC[NH3+])CC(C)C ZINC000570524447 430551103 /nfs/dbraw/zinc/55/11/03/430551103.db2.gz DWWXHPNJYWGVIR-QGZVFWFLSA-N 2 0 319.493 2.674 20 0 DFADRP Cc1cc(C[C@H](C)[NH2+]C2CCC([NH3+])CC2)n(-c2ccccc2)n1 ZINC000570624619 430560192 /nfs/dbraw/zinc/56/01/92/430560192.db2.gz ODMVFVBCETXZEZ-OOHWJJMZSA-N 2 0 312.461 2.971 20 0 DFADRP Cc1nccn1[C@@H]1CCCN(Cc2nn(C)c(C)c2Cl)C1 ZINC000643285580 430573443 /nfs/dbraw/zinc/57/34/43/430573443.db2.gz VHZYRTJEZBVJFH-CYBMUJFWSA-N 2 0 307.829 2.724 20 0 DFADRP Cc1nccn1[C@H]1CCCN(Cc2nn(C)c(C)c2Cl)C1 ZINC000643285581 430573499 /nfs/dbraw/zinc/57/34/99/430573499.db2.gz VHZYRTJEZBVJFH-ZDUSSCGKSA-N 2 0 307.829 2.724 20 0 DFADRP C[C@H]([NH2+]CC(C)(C)c1ccc2c(c1)OCO2)[C@H]1CCC[NH2+]C1 ZINC000570792549 430576856 /nfs/dbraw/zinc/57/68/56/430576856.db2.gz KCOZRLAXSSLFMN-KBPBESRZSA-N 2 0 304.434 2.671 20 0 DFADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)[C@@H]1CCC[C@H]2CCCC[C@@H]21 ZINC000552005046 430577130 /nfs/dbraw/zinc/57/71/30/430577130.db2.gz JJPPBSKCORGQNB-FGTMMUONSA-N 2 0 323.525 2.545 20 0 DFADRP CC[NH+](CC)[C@H](C(=O)N(C)[C@@H]1CCC[NH2+]CC1)c1ccccc1 ZINC000570804858 430577825 /nfs/dbraw/zinc/57/78/25/430577825.db2.gz FSVWYMHKHDVIKF-MSOLQXFVSA-N 2 0 317.477 2.670 20 0 DFADRP CC(C)C[N@@H+]1CCCC[C@@H]1CN[C@@H]1CC[NH+](C)[C@@H]2CCC[C@@H]21 ZINC000552062659 430583834 /nfs/dbraw/zinc/58/38/34/430583834.db2.gz CGDHHUSETGNKCB-NCXUSEDFSA-N 2 0 307.526 2.959 20 0 DFADRP C[NH+](C)CCOCC[NH2+][C@@H]1CCCOc2cc3c(cc21)CCC3 ZINC000570896408 430587195 /nfs/dbraw/zinc/58/71/95/430587195.db2.gz KBRNMCBCRVTZBE-GOSISDBHSA-N 2 0 318.461 2.557 20 0 DFADRP COC[C@H](C)C[N@H+](Cc1ccsc1)[C@@H]1CC12CC[NH2+]CC2 ZINC000570966349 430592577 /nfs/dbraw/zinc/59/25/77/430592577.db2.gz UAEGIPMWHGXHDM-GDBMZVCRSA-N 2 0 308.491 2.975 20 0 DFADRP C[NH+](C)CCCCC(=O)NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000552381215 430595318 /nfs/dbraw/zinc/59/53/18/430595318.db2.gz ANNVLKOLDFJOHX-OAHLLOKOSA-N 2 0 323.506 2.733 20 0 DFADRP Cc1cc(CNC[C@@H]2C[N@@H+](C)C[C@H]2c2ccccc2)sn1 ZINC000639286123 430598155 /nfs/dbraw/zinc/59/81/55/430598155.db2.gz OLCFHPQLRMALMP-WBVHZDCISA-N 2 0 301.459 2.887 20 0 DFADRP CC[N@H+](CCC[NH2+]C[C@H](OC)[C@@H]1CCOC1)C1CCCCC1 ZINC000639289776 430599668 /nfs/dbraw/zinc/59/96/68/430599668.db2.gz COQLSIYFNVLFTB-AEFFLSMTSA-N 2 0 312.498 2.672 20 0 DFADRP CC[N@H+](CCC[NH2+]CCCc1cnn(C)c1)C1CCCCC1 ZINC000639291691 430599949 /nfs/dbraw/zinc/59/99/49/430599949.db2.gz SJYXUTQBSYIKEN-UHFFFAOYSA-N 2 0 306.498 2.987 20 0 DFADRP C[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCCN(C(=O)CCCC[NH+](C)C)C1 ZINC000552554778 430600028 /nfs/dbraw/zinc/60/00/28/430600028.db2.gz VDGOHWWMKZSGFY-IXDOHACOSA-N 2 0 309.498 2.582 20 0 DFADRP C[C@@H]1C[C@@H](C)C[NH+](CCC[NH2+][C@@H]2COc3ccccc3C2)C1 ZINC000550621513 430543212 /nfs/dbraw/zinc/54/32/12/430543212.db2.gz DFDANSCZLPWYFQ-NUJGCVRESA-N 2 0 302.462 2.948 20 0 DFADRP CC[C@@H]1CCC[C@@H]1[NH2+]C[C@@H](O)CN1CCc2ccccc2C1 ZINC000550897621 430547365 /nfs/dbraw/zinc/54/73/65/430547365.db2.gz GRQGKUMYLZZVRS-LZQZEXGQSA-N 2 0 302.462 2.574 20 0 DFADRP COc1cccc([C@H](C[NH2+][C@H]2CCC[C@H]([NH3+])C2)N2CCCC2)c1 ZINC000571821144 430654833 /nfs/dbraw/zinc/65/48/33/430654833.db2.gz NIMAUVMKMUTQFX-LNLFQRSKSA-N 2 0 317.477 2.692 20 0 DFADRP CC[C@H]([NH2+]C[C@@H]1CCN(c2ccc(F)c(F)c2)C1)[C@@H]1CCC[NH2+]1 ZINC000643453054 430602698 /nfs/dbraw/zinc/60/26/98/430602698.db2.gz FGUAAWQDWHUGBL-KKXDTOCCSA-N 2 0 323.431 2.911 20 0 DFADRP COc1ccc2[nH]cc(CC[NH2+][C@@H](C)[C@H]3CCCC[NH2+]3)c2c1 ZINC000643453660 430602891 /nfs/dbraw/zinc/60/28/91/430602891.db2.gz PWYKEMIXEOYVPD-SUMWQHHRSA-N 2 0 301.434 2.839 20 0 DFADRP C[C@H]([NH2+]C[C@H]1CCN(c2ccc(F)c(F)c2)C1)[C@H]1CCCC[NH2+]1 ZINC000643453182 430602927 /nfs/dbraw/zinc/60/29/27/430602927.db2.gz MOHWEZFMSFBOHO-PMUMKWKESA-N 2 0 323.431 2.911 20 0 DFADRP COC[C@@H](CCC[NH3+])[NH2+]CCc1ccc(C(F)(F)F)cc1 ZINC000643456618 430603179 /nfs/dbraw/zinc/60/31/79/430603179.db2.gz NVCOMFCKGLIZEX-CQSZACIVSA-N 2 0 304.356 2.591 20 0 DFADRP C[C@H]([NH2+]CCc1ccn(-c2ccc(F)cc2)n1)[C@H]1CCC[NH2+]C1 ZINC000643458046 430604267 /nfs/dbraw/zinc/60/42/67/430604267.db2.gz ABMVQIFDEVZGOW-GJZGRUSLSA-N 2 0 316.424 2.532 20 0 DFADRP C[C@H]([NH2+][C@H]1CCN(c2ccc(F)cc2F)C1)[C@@H]1CCC[NH2+]C1 ZINC000643462964 430604446 /nfs/dbraw/zinc/60/44/46/430604446.db2.gz UQHFBPUKQPDTNG-GUTXKFCHSA-N 2 0 309.404 2.521 20 0 DFADRP Cc1ccc(C[NH2+][C@H]2CCCC[C@H]2C[NH3+])c(N2CCCC2)n1 ZINC000643471257 430605289 /nfs/dbraw/zinc/60/52/89/430605289.db2.gz KRTYHTXWVMTSPX-RDJZCZTQSA-N 2 0 302.466 2.597 20 0 DFADRP Cc1ccc(C[NH2+]C2CCC(C[NH3+])CC2)c(N2CCCC2)n1 ZINC000643471376 430605875 /nfs/dbraw/zinc/60/58/75/430605875.db2.gz YFOBQMKBSKVCNT-UHFFFAOYSA-N 2 0 302.466 2.597 20 0 DFADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]C[C@@H](c1ccnn1C)C(C)C ZINC000643484331 430607138 /nfs/dbraw/zinc/60/71/38/430607138.db2.gz WFMOSJCWKSOADM-SUMWQHHRSA-N 2 0 315.465 2.673 20 0 DFADRP C[C@H]([NH2+]CC1([NH3+])CCCCCC1)c1cccc(-n2ccnn2)c1 ZINC000643498687 430608362 /nfs/dbraw/zinc/60/83/62/430608362.db2.gz BAWHOYHLRGCQCN-HNNXBMFYSA-N 2 0 313.449 2.970 20 0 DFADRP C[C@@H]1[NH2+]CC[C@H]1C(=O)Nc1ccc(C[NH+]2CCC(C)CC2)cc1 ZINC000571204660 430612067 /nfs/dbraw/zinc/61/20/67/430612067.db2.gz QAUYAOCKOYDEJP-MAUKXSAKSA-N 2 0 315.461 2.855 20 0 DFADRP CC(C)[C@H]([NH2+][C@@H]1CCC[NH2+]CC1)c1ccc2[nH]c(=O)oc2c1 ZINC000643521830 430613193 /nfs/dbraw/zinc/61/31/93/430613193.db2.gz CPSCPVWCMDUGFW-CJNGLKHVSA-N 2 0 303.406 2.962 20 0 DFADRP OCC1CC([NH2+][C@@H]2CCN(C3CC3)[C@@H](c3ccccc3)C2)C1 ZINC000639334164 430613265 /nfs/dbraw/zinc/61/32/65/430613265.db2.gz ADBVQFOQWZUJTD-JWBIFMHMSA-N 2 0 300.446 2.715 20 0 DFADRP c1ccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@H](N[C@@H]2CCC[NH2+]CC2)C3)cc1 ZINC000643523119 430613517 /nfs/dbraw/zinc/61/35/17/430613517.db2.gz WXFYGLRHSHZXGY-WTGUMLROSA-N 2 0 313.489 2.914 20 0 DFADRP C[C@@H]([NH2+]C[C@H]1CC[C@H](C[NH3+])CC1)c1ccc2c(c1)CCC(=O)N2 ZINC000643532336 430613562 /nfs/dbraw/zinc/61/35/62/430613562.db2.gz CXJZTXWIPUTHNB-RBSFLKMASA-N 2 0 315.461 2.987 20 0 DFADRP COc1ccc2c(c1)[C@@H]([NH2+][C@H]1CC13CC[NH2+]CC3)CCCO2 ZINC000643534937 430613578 /nfs/dbraw/zinc/61/35/78/430613578.db2.gz FZOUSULWRAGPKF-RDJZCZTQSA-N 2 0 302.418 2.641 20 0 DFADRP CC(C)[C@H]([NH2+][C@@H]1CC12CC[NH2+]CC2)c1ccc2[nH]c(=O)oc2c1 ZINC000643535061 430613835 /nfs/dbraw/zinc/61/38/35/430613835.db2.gz IKTAZMXLVYPZBU-CVEARBPZSA-N 2 0 315.417 2.962 20 0 DFADRP COc1ccc([C@H]2C[C@@H]2[C@@H](C)[NH2+][C@H]2CC23CC[NH2+]CC3)cc1 ZINC000643536012 430613919 /nfs/dbraw/zinc/61/39/19/430613919.db2.gz LWMBEQXQOPQOAT-PILAGYSTSA-N 2 0 300.446 2.919 20 0 DFADRP CC1(C)[C@H]([NH2+][C@H]2CC23CC[NH2+]CC3)C[C@H]1Oc1ccccc1 ZINC000643535565 430613925 /nfs/dbraw/zinc/61/39/25/430613925.db2.gz GWHJBOVIBURBQL-IXDOHACOSA-N 2 0 300.446 2.964 20 0 DFADRP CC(C)[C@@H](COCc1ccccc1)[NH2+][C@H]1CC12CC[NH2+]CC2 ZINC000643536312 430614062 /nfs/dbraw/zinc/61/40/62/430614062.db2.gz STZATZKYGMFTEU-MSOLQXFVSA-N 2 0 302.462 2.960 20 0 DFADRP COc1ccc([C@H]2C[C@@H]2[C@@H](C)[NH2+][C@@H]2CC23CC[NH2+]CC3)cc1 ZINC000643536009 430614537 /nfs/dbraw/zinc/61/45/37/430614537.db2.gz LWMBEQXQOPQOAT-BNEJOLLZSA-N 2 0 300.446 2.919 20 0 DFADRP CC(C)[C@@H](COCc1ccccc1)[NH2+][C@@H]1CC12CC[NH2+]CC2 ZINC000643536313 430614949 /nfs/dbraw/zinc/61/49/49/430614949.db2.gz STZATZKYGMFTEU-QZTJIDSGSA-N 2 0 302.462 2.960 20 0 DFADRP C[NH+](C)C1CC(NC2CC[NH+](CCc3ccc(F)cc3)CC2)C1 ZINC000571225200 430615020 /nfs/dbraw/zinc/61/50/20/430615020.db2.gz WIHRSPBLPDUZPN-UHFFFAOYSA-N 2 0 319.468 2.515 20 0 DFADRP COc1ccc(C[C@@H](C)[NH2+][C@@H]2CC23CC[NH2+]CC3)c(C)c1OC ZINC000643536221 430615044 /nfs/dbraw/zinc/61/50/44/430615044.db2.gz OOYZHGGCFRLMJZ-CXAGYDPISA-N 2 0 318.461 2.675 20 0 DFADRP FCCOCC[NH2+][C@@H]1CCN(C2CC2)[C@@H](c2ccccc2)C1 ZINC000639337246 430615115 /nfs/dbraw/zinc/61/51/15/430615115.db2.gz LEXAEKHMVYPALE-SJLPKXTDSA-N 2 0 306.425 2.930 20 0 DFADRP C[C@@H]([NH2+][C@@H]1CC[NH2+]C2(CCC2)C1)c1ccc2c(c1)OCCO2 ZINC000643547054 430615441 /nfs/dbraw/zinc/61/54/41/430615441.db2.gz YXPPPRGBLOKKOC-UKRRQHHQSA-N 2 0 302.418 2.783 20 0 DFADRP Cc1nc([C@@H](C)[NH2+]C2CCC(N3CC[NH2+]CC3)CC2)c(C)s1 ZINC000643543897 430616062 /nfs/dbraw/zinc/61/60/62/430616062.db2.gz VRUGPORYTAPAHR-UWTIGNOOSA-N 2 0 322.522 2.627 20 0 DFADRP C[C@H](CCc1cccc(F)c1)[NH2+][C@@H]1CCC[C@@H]1N1CC[C@H](O)C1 ZINC000639371497 430622887 /nfs/dbraw/zinc/62/28/87/430622887.db2.gz SPFREKAQYUMMOE-FDPIWHGQSA-N 2 0 320.452 2.724 20 0 DFADRP C[C@@H]([NH2+][C@@H]1CCC[C@@H]1N1CC[C@H](O)C1)[C@@H]1C[C@H]1c1cccs1 ZINC000639370371 430623563 /nfs/dbraw/zinc/62/35/63/430623563.db2.gz CKZIQSGAHBKNSL-YTLBIWTGSA-N 2 0 320.502 2.817 20 0 DFADRP Cc1cc2c(c(C)c1)[C@@H]([NH2+][C@@H]1CCC[C@@H]1N1CC[C@@H](O)C1)CC2 ZINC000639370926 430623690 /nfs/dbraw/zinc/62/36/90/430623690.db2.gz FFGOSMJIMRDWSH-YRXWBPOGSA-N 2 0 314.473 2.868 20 0 DFADRP Cc1cc(Cl)ccc1C[NH2+][C@@H]1CCC[C@@H]1N1CC[C@@H](O)C1 ZINC000639370069 430623727 /nfs/dbraw/zinc/62/37/27/430623727.db2.gz BRBPXSKMYGCASE-ZACQAIPSSA-N 2 0 308.853 2.726 20 0 DFADRP Cc1cc2c(c(C)c1)[C@H]([NH2+][C@@H]1CCC[C@@H]1N1CC[C@@H](O)C1)CC2 ZINC000639370922 430623950 /nfs/dbraw/zinc/62/39/50/430623950.db2.gz FFGOSMJIMRDWSH-MKXGPGLRSA-N 2 0 314.473 2.868 20 0 DFADRP C[C@@H](C[NH2+][C@@H]1CCC[C@@H]1N1CC[C@H](O)C1)c1cc(F)cc(F)c1 ZINC000639373661 430624181 /nfs/dbraw/zinc/62/41/81/430624181.db2.gz SQJZUZFAOMFDBC-BIMQEMHKSA-N 2 0 324.415 2.646 20 0 DFADRP C[C@H](CCCC(F)(F)F)[NH2+][C@@H]1CCC[C@@H]1N1CC[C@H](O)C1 ZINC000639373257 430625641 /nfs/dbraw/zinc/62/56/41/430625641.db2.gz PEUAAIJVALJOKC-RQJABVFESA-N 2 0 308.388 2.685 20 0 DFADRP C[C@H]([NH2+]C(C)(C)CNC(=O)CCCC[NH+](C)C)c1ccccc1 ZINC000554006017 430627069 /nfs/dbraw/zinc/62/70/69/430627069.db2.gz BANWJERNUIEEBV-INIZCTEOSA-N 2 0 319.493 2.964 20 0 DFADRP C[C@@H](c1ccccc1)[C@@H](O)C[NH2+]CC1(C[NH+](C)C)CCCC1 ZINC000571517059 430632641 /nfs/dbraw/zinc/63/26/41/430632641.db2.gz BBTRERRUUPLKSW-WMZOPIPTSA-N 2 0 304.478 2.863 20 0 DFADRP C[C@H](c1ccccc1)[C@H](O)C[NH2+]CC1(C[NH+](C)C)CCCC1 ZINC000571517058 430633337 /nfs/dbraw/zinc/63/33/37/430633337.db2.gz BBTRERRUUPLKSW-SJLPKXTDSA-N 2 0 304.478 2.863 20 0 DFADRP [NH3+][C@H]1CCC[C@@H]([NH2+]Cc2cc(Cl)ccc2N2CCOCC2)C1 ZINC000571581220 430637709 /nfs/dbraw/zinc/63/77/09/430637709.db2.gz JYRGGPCEDNWWDB-JKSUJKDBSA-N 2 0 323.868 2.536 20 0 DFADRP [NH3+][C@@H](CCC(=O)N(C1CC1)C1CC[NH2+]CC1)CC1CCCCC1 ZINC000644095930 430661721 /nfs/dbraw/zinc/66/17/21/430661721.db2.gz LJRWNNVVQPQDLH-INIZCTEOSA-N 2 0 321.509 2.807 20 0 DFADRP Cc1c(Cl)cccc1NC(=O)CC[NH2+][C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000571669463 430644317 /nfs/dbraw/zinc/64/43/17/430644317.db2.gz NJTALCOGAWJGAD-UONOGXRCSA-N 2 0 323.868 2.955 20 0 DFADRP C[C@H]([NH2+]CCc1cc(Cl)c2c(c1)OCCO2)[C@H]1CCC[NH2+]C1 ZINC000571669466 430644432 /nfs/dbraw/zinc/64/44/32/430644432.db2.gz NMKZPKHXZJQDBF-JSGCOSHPSA-N 2 0 324.852 2.631 20 0 DFADRP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cccc3c2CCOC3)[C@@H](C)C1 ZINC000639531845 430664722 /nfs/dbraw/zinc/66/47/22/430664722.db2.gz BMZNUDNDEAMKDQ-HNAYVOBHSA-N 2 0 302.462 2.921 20 0 DFADRP CC[C@H]([NH2+]C[C@H]1CCC[N@H+](C)C1)c1ccc(C(=O)OC)cc1 ZINC000556094031 430679153 /nfs/dbraw/zinc/67/91/53/430679153.db2.gz OPALQFZZWXGXBS-PBHICJAKSA-N 2 0 304.434 2.856 20 0 DFADRP CC[NH+]1CCN(CC(C)(C)[NH2+]Cc2cnc(C3CC3)s2)CC1 ZINC000556177105 430680111 /nfs/dbraw/zinc/68/01/11/430680111.db2.gz RMFFJMWQGVJQHF-UHFFFAOYSA-N 2 0 322.522 2.526 20 0 DFADRP CC(C)[NH+]1CCC([NH2+]CCC(=O)Nc2cccc(F)c2)CC1 ZINC000572356521 430682958 /nfs/dbraw/zinc/68/29/58/430682958.db2.gz LPYJRYLBIAINFM-UHFFFAOYSA-N 2 0 307.413 2.617 20 0 DFADRP CC(C)[N@H+](C)CC1CCN(C(=O)[C@H]2CCCCCC[C@H]2[NH3+])CC1 ZINC000572359236 430683827 /nfs/dbraw/zinc/68/38/27/430683827.db2.gz AEEIBZAFTFOGRU-ZWKOTPCHSA-N 2 0 323.525 2.863 20 0 DFADRP O[C@H]1CC[N@H+](Cc2cccc(NCc3cccc4nccn43)c2)C1 ZINC000555244673 430662590 /nfs/dbraw/zinc/66/25/90/430662590.db2.gz MQTUXBZZOHPEMT-SFHVURJKSA-N 2 0 322.412 2.513 20 0 DFADRP CC(C)c1ccc([C@H](C)[N@@H+]2CC[C@@H](N3CC[NH2+]CC3)C2)cc1 ZINC000262521107 278047997 /nfs/dbraw/zinc/04/79/97/278047997.db2.gz OCCDEMZEOFHLQL-QFBILLFUSA-N 2 0 301.478 2.851 20 0 DFADRP OCCCN1CCC[C@H]([NH2+][C@@H](CC2CC2)c2ccccc2)C1 ZINC000556435491 430685498 /nfs/dbraw/zinc/68/54/98/430685498.db2.gz GLCLMQJPXSJRQM-OALUTQOASA-N 2 0 302.462 2.964 20 0 DFADRP C[C@@]1([NH3+])CCCC[C@@H]1C(=O)NC1CC[NH+](CC2CCCC2)CC1 ZINC000263176582 278126279 /nfs/dbraw/zinc/12/62/79/278126279.db2.gz GGYCRAYYHGNZBH-IEBWSBKVSA-N 2 0 321.509 2.665 20 0 DFADRP Cc1ccc2[nH]c3c(c2c1)CCC[C@@H]3[NH2+]C[C@@]1(O)CCN(C)C1 ZINC000572678021 430694194 /nfs/dbraw/zinc/69/41/94/430694194.db2.gz FSYAPOYWTRDCDH-HKUYNNGSSA-N 2 0 313.445 2.510 20 0 DFADRP C[C@@H](CN[C@H]1C[C@@H](C)[N@H+](C)C[C@H]1C)[NH+](C)Cc1ccccc1 ZINC000248177994 278287150 /nfs/dbraw/zinc/28/71/50/278287150.db2.gz VXLXETCUIYUADR-VXNCWWDNSA-N 2 0 303.494 2.825 20 0 DFADRP CCC[NH2+][C@@H](C)C(=O)N1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000572767738 430696869 /nfs/dbraw/zinc/69/68/69/430696869.db2.gz KJHXSBAJJHPPRB-SJORKVTESA-N 2 0 323.525 2.878 20 0 DFADRP CC[C@H](C[NH2+][C@H](C)c1ccnn1C)N1CCc2ccccc2C1 ZINC000572808141 430697276 /nfs/dbraw/zinc/69/72/76/430697276.db2.gz AOCYHNDDGDOWFB-CRAIPNDOSA-N 2 0 312.461 2.908 20 0 DFADRP C[C@@H]([NH2+]C1(CNC2=[NH+]CCCN2)CCCC1)c1ccccc1 ZINC000263163374 278333222 /nfs/dbraw/zinc/33/32/22/278333222.db2.gz PMWVFAWRLBYJAN-OAHLLOKOSA-N 2 0 300.450 2.589 20 0 DFADRP C[C@@H]([NH2+][C@H](CO)C1CCCC1)c1ccc(OCC[NH+](C)C)cc1 ZINC000290112133 278380046 /nfs/dbraw/zinc/38/00/46/278380046.db2.gz ITNOWVALWQYDJI-DNVCBOLYSA-N 2 0 320.477 2.829 20 0 DFADRP OC[C@@H](C[NH2+]C1CC[NH+](CCc2ccccc2)CC1)CC1CC1 ZINC000657712850 430716575 /nfs/dbraw/zinc/71/65/75/430716575.db2.gz BDLMDOZQZCZKPF-LJQANCHMSA-N 2 0 316.489 2.692 20 0 DFADRP C/C(=C\c1ccccc1)C[NH2+]C1CCN([C@H]2CCOC2)CC1 ZINC000657750997 430724740 /nfs/dbraw/zinc/72/47/40/430724740.db2.gz MOGMRFPLRWXLDA-XAVZPLJISA-N 2 0 300.446 2.933 20 0 DFADRP c1cc2c(cc1C[NH2+]C1CCN([C@@H]3CCOC3)CC1)CCCC2 ZINC000657753870 430724774 /nfs/dbraw/zinc/72/47/74/430724774.db2.gz ZNBAICLUJUXEOQ-HXUWFJFHSA-N 2 0 314.473 2.908 20 0 DFADRP CSc1ccc(C[NH2+]C2CCN([C@@H]3CCOC3)CC2)s1 ZINC000657751367 430726221 /nfs/dbraw/zinc/72/62/21/430726221.db2.gz HQODMCJFCWQDKZ-CYBMUJFWSA-N 2 0 312.504 2.813 20 0 DFADRP C[C@@H]([NH2+]Cc1cccc(C(F)(F)F)n1)C1CC[NH+](C)CC1 ZINC000651386909 430784167 /nfs/dbraw/zinc/78/41/67/430784167.db2.gz ZEUJVYFLSAMHCG-LLVKDONJSA-N 2 0 301.356 2.920 20 0 DFADRP C[C@@H](c1ccccc1)[C@@H](O)C[NH2+]Cc1ccnn1-c1cc[nH+]cc1 ZINC000657797240 430739728 /nfs/dbraw/zinc/73/97/28/430739728.db2.gz IRBJFWVWUAQCFF-KXBFYZLASA-N 2 0 322.412 2.522 20 0 DFADRP CC[NH+](CC)Cc1ccccc1C[NH2+]C[C@@](C)(O)C(F)(F)F ZINC000644513843 430739765 /nfs/dbraw/zinc/73/97/65/430739765.db2.gz XNJVLJPJMIRTQD-OAHLLOKOSA-N 2 0 318.383 2.931 20 0 DFADRP CC[NH+](CC)Cc1ccccc1C[NH2+]C[C@@H](O)C(F)(F)F ZINC000644513803 430740246 /nfs/dbraw/zinc/74/02/46/430740246.db2.gz TXEXNTXGCYPTBA-CQSZACIVSA-N 2 0 304.356 2.541 20 0 DFADRP COCc1cnc(C[NH2+]CC2CC[NH+](CC3CC3)CC2)s1 ZINC000657813640 430742927 /nfs/dbraw/zinc/74/29/27/430742927.db2.gz VXAZUMOKZIYBFJ-UHFFFAOYSA-N 2 0 309.479 2.501 20 0 DFADRP O=C(CC[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1)Nc1cccc(Cl)c1 ZINC000644524083 430743821 /nfs/dbraw/zinc/74/38/21/430743821.db2.gz PZSVVLVMSKMVJC-GDBMZVCRSA-N 2 0 321.852 2.885 20 0 DFADRP O=C(CC[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1)Nc1cccc(Cl)c1 ZINC000644524086 430744074 /nfs/dbraw/zinc/74/40/74/430744074.db2.gz PZSVVLVMSKMVJC-ZBFHGGJFSA-N 2 0 321.852 2.885 20 0 DFADRP O=C(CC[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1)Nc1ccc(Cl)cc1 ZINC000644524098 430744150 /nfs/dbraw/zinc/74/41/50/430744150.db2.gz RIHXYPGRNQCMLQ-JKSUJKDBSA-N 2 0 321.852 2.885 20 0 DFADRP Cc1cccn2c(C[NH2+]CC3CC[NH+](CC4CC4)CC3)cnc12 ZINC000657813672 430744520 /nfs/dbraw/zinc/74/45/20/430744520.db2.gz WWDXBQOHRRDRQL-UHFFFAOYSA-N 2 0 312.461 2.854 20 0 DFADRP CC[C@H]([NH2+]C1CCN(C[C@@H]2CCCO2)CC1)c1ccncc1 ZINC000651228803 430744499 /nfs/dbraw/zinc/74/44/99/430744499.db2.gz CYTNQVBVBKZLSH-ROUUACIJSA-N 2 0 303.450 2.766 20 0 DFADRP CC(C)C[C@H](CN(C)C)[NH2+]CCC(=O)Nc1ccccc1F ZINC000644528715 430744536 /nfs/dbraw/zinc/74/45/36/430744536.db2.gz RRYFARULPILJCQ-CQSZACIVSA-N 2 0 309.429 2.720 20 0 DFADRP Cn1nc(C[NH2+]CC2CC[NH+](CC3CC3)CC2)c2ccccc21 ZINC000657812453 430744573 /nfs/dbraw/zinc/74/45/73/430744573.db2.gz CLDVZDAHHKHXCI-UHFFFAOYSA-N 2 0 312.461 2.785 20 0 DFADRP CC[C@@H]([NH2+]C[C@@H](O)CN(C)Cc1ccccc1)c1ccncc1 ZINC000644573596 430757455 /nfs/dbraw/zinc/75/74/55/430757455.db2.gz QQAOOTPOVXKFQI-RTBURBONSA-N 2 0 313.445 2.615 20 0 DFADRP CN(C)CC[NH+]1CCC(C[NH2+][C@H]2[C@@H]3CCC[C@@H]3C2(C)C)CC1 ZINC000657872493 430757389 /nfs/dbraw/zinc/75/73/89/430757389.db2.gz PTQZFYSQPMVXGQ-SQNIBIBYSA-N 2 0 307.526 2.674 20 0 DFADRP C[C@@H]([NH2+]CCCN1CCC[N@H+](C)CC1)c1cc2cnccc2o1 ZINC000657873265 430758436 /nfs/dbraw/zinc/75/84/36/430758436.db2.gz RUFVTFORQAPTES-OAHLLOKOSA-N 2 0 316.449 2.506 20 0 DFADRP CC(C)[C@@H]([NH2+]C[C@H](O)CN(C)C)c1ccc2c(c1)CCCC2 ZINC000657876636 430759384 /nfs/dbraw/zinc/75/93/84/430759384.db2.gz YRKNEUDWUJGECA-RBUKOAKNSA-N 2 0 304.478 2.775 20 0 DFADRP CC(C)C[N@@H+]1CC[C@H](C[NH2+]CCC(=O)Nc2ccccc2F)C1 ZINC000644588681 430761041 /nfs/dbraw/zinc/76/10/41/430761041.db2.gz FJSSIBTYVGJWMK-OAHLLOKOSA-N 2 0 321.440 2.722 20 0 DFADRP COC[C@@H](CC1CCOCC1)[NH2+]C[C@H]1CCCN1CC(C)C ZINC000657932173 430771228 /nfs/dbraw/zinc/77/12/28/430771228.db2.gz KGKFEIGZFGMQNT-QZTJIDSGSA-N 2 0 312.498 2.528 20 0 DFADRP CC1(C)CCC[C@@H]1[NH2+]Cc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1 ZINC000658140346 430822741 /nfs/dbraw/zinc/82/27/41/430822741.db2.gz PZZNQKRZHZBRNE-MSOLQXFVSA-N 2 0 302.462 2.922 20 0 DFADRP CC1(C)CC[C@@H]([NH2+]Cc2ccc(C[N@@H+]3CC[C@@H](O)C3)cc2)C1 ZINC000658136624 430824044 /nfs/dbraw/zinc/82/40/44/430824044.db2.gz HNZGVVQAMZWOAW-QZTJIDSGSA-N 2 0 302.462 2.922 20 0 DFADRP COc1cc(OC)c(CN(C)C[C@@H]2CCC[N@H+](C)C2)cc1F ZINC000651616670 430831399 /nfs/dbraw/zinc/83/13/99/430831399.db2.gz IVOGUIGJBUFGCQ-CYBMUJFWSA-N 2 0 310.413 2.617 20 0 DFADRP COC[C@@H](CC(C)C)[NH2+]CC1CC[NH+](Cc2ccncc2)CC1 ZINC000658168388 430833264 /nfs/dbraw/zinc/83/32/64/430833264.db2.gz WQIPODHPGPSJCY-LJQANCHMSA-N 2 0 319.493 2.944 20 0 DFADRP C[C@@H](COc1c(F)cccc1F)[NH2+][C@H]1CN(C2CC2)C[C@@H]1C ZINC000658178608 430835350 /nfs/dbraw/zinc/83/53/50/430835350.db2.gz OICUILMSYSRHIU-MKBNYLNASA-N 2 0 310.388 2.804 20 0 DFADRP Cc1cc[nH+]c(NC[C@H]2CC[N@@H+]([C@@H](C)c3cnc(C)cn3)C2)c1 ZINC000644668257 430784899 /nfs/dbraw/zinc/78/48/99/430784899.db2.gz LBLPLYHVUIOZPT-JKSUJKDBSA-N 2 0 311.433 2.983 20 0 DFADRP C[N@H+](CCc1ccccc1)[C@H]1CCN(CC[C@@H]2CCC[NH+]2C)C1 ZINC000661649923 430789461 /nfs/dbraw/zinc/78/94/61/430789461.db2.gz QVUFWLQMYWLHPD-PMACEKPBSA-N 2 0 315.505 2.720 20 0 DFADRP C[C@H]([NH2+]C[C@H]1CCN1C(C)(C)C)c1ccccc1-n1ccnn1 ZINC000658061542 430794845 /nfs/dbraw/zinc/79/48/45/430794845.db2.gz OWEGCXGLOSBDCB-LSDHHAIUSA-N 2 0 313.449 2.791 20 0 DFADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CCC2CC(OC)C2)[C@@H](C)C1 ZINC000658054849 430795747 /nfs/dbraw/zinc/79/57/47/430795747.db2.gz FEDKXPMSVPDEGH-FCCDEINASA-N 2 0 312.498 2.528 20 0 DFADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]C[C@H](C)c2ccccn2)[C@H](C)C1 ZINC000658061666 430798178 /nfs/dbraw/zinc/79/81/78/430798178.db2.gz CAAMSZKZHXAQJL-SCTDSRPQSA-N 2 0 319.493 2.912 20 0 DFADRP CCCC[C@H](COC)[NH2+]CC1CC[NH+](C2CCOCC2)CC1 ZINC000658067912 430798328 /nfs/dbraw/zinc/79/83/28/430798328.db2.gz RYDBDWSKYQKZLE-QGZVFWFLSA-N 2 0 312.498 2.672 20 0 DFADRP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1ccc2[nH]c(=O)oc2c1 ZINC000651454301 430799013 /nfs/dbraw/zinc/79/90/13/430799013.db2.gz AQBJAURWDDWKAL-NDNKKMJESA-N 2 0 301.390 2.809 20 0 DFADRP CO[C@H](C[NH2+]C1CC[NH+]([C@@H]2CCCC[C@H]2C)CC1)[C@@H]1CCOC1 ZINC000658075101 430802797 /nfs/dbraw/zinc/80/27/97/430802797.db2.gz WAJGPHYFDJYWSW-PSBWJHGTSA-N 2 0 324.509 2.671 20 0 DFADRP COC[C@H](CC[NH2+]C1CC[NH+]([C@H]2CCCC[C@H]2C)CC1)OC ZINC000658083769 430803675 /nfs/dbraw/zinc/80/36/75/430803675.db2.gz BZUKFVDUWMKQCO-NJAFHUGGSA-N 2 0 312.498 2.671 20 0 DFADRP CC[C@@H]1C[C@@H]([NH2+]CC2CCN(c3cc[nH+]cc3)CC2)CCO1 ZINC000648494061 430807230 /nfs/dbraw/zinc/80/72/30/430807230.db2.gz PEJMXLCGXCBXFH-FUHWJXTLSA-N 2 0 303.450 2.845 20 0 DFADRP CC(C)[NH+]1CCC([NH2+][C@@H]2CCC[C@H]2Cc2cnn(C)c2)CC1 ZINC000658237663 430849206 /nfs/dbraw/zinc/84/92/06/430849206.db2.gz YRGKUPWMAUKJRB-FUHWJXTLSA-N 2 0 304.482 2.594 20 0 DFADRP COCCC[NH+]1CCC([NH2+]Cc2cccc3c2CCC3)CC1 ZINC000651695415 430851405 /nfs/dbraw/zinc/85/14/05/430851405.db2.gz IKZCWCZVORJMFJ-UHFFFAOYSA-N 2 0 302.462 2.766 20 0 DFADRP C[C@@H]([NH3+])c1ccc(-c2cncc([C@@H]3OCC[C@H]3[NH3+])c2)cc1F ZINC000665198548 430853351 /nfs/dbraw/zinc/85/33/51/430853351.db2.gz DACHBZHPKSDSMS-LWNYNHHKSA-N 2 0 301.365 2.696 20 0 DFADRP C[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+][C@H]2C[C@@H](O)C23CCC3)CC1 ZINC000658252060 430853607 /nfs/dbraw/zinc/85/36/07/430853607.db2.gz IJDCJZVPJIKBFZ-LAVFITLUSA-N 2 0 306.494 2.923 20 0 DFADRP OC[C@@H]1CCC[N@@H+]1CCCC[NH2+]Cc1cccc2c1CCC2 ZINC000651714018 430855337 /nfs/dbraw/zinc/85/53/37/430855337.db2.gz MUHDZLXGDCJVAQ-SFHVURJKSA-N 2 0 302.462 2.502 20 0 DFADRP C[C@@H]([NH2+]C[C@H]1CCN(c2ccccc2Cl)C1)[C@H]1CCC[NH2+]1 ZINC000665233267 430863106 /nfs/dbraw/zinc/86/31/06/430863106.db2.gz CTCZWXVLBZWPOU-IIAWOOMASA-N 2 0 307.869 2.896 20 0 DFADRP CC(C)(C)[N@@H+]1CC[C@H](N[C@H]2CC[NH2+][C@@H](c3ccccc3)C2)C1 ZINC000665236596 430864301 /nfs/dbraw/zinc/86/43/01/430864301.db2.gz QJONQZHZQNLTNK-OKZBNKHCSA-N 2 0 301.478 2.942 20 0 DFADRP Fc1c(C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)cccc1OC1CC1 ZINC000665244047 430866212 /nfs/dbraw/zinc/86/62/12/430866212.db2.gz FNRXQPXJCPFWFB-BPLDGKMQSA-N 2 0 304.409 2.845 20 0 DFADRP C[C@@H]1[C@H](C(=O)Nc2cccc(C[NH+]3CCCCC3)c2)CC[N@@H+]1C ZINC000648731880 430872394 /nfs/dbraw/zinc/87/23/94/430872394.db2.gz VEOUELIEDIRTSM-CRAIPNDOSA-N 2 0 315.461 2.951 20 0 DFADRP Cn1ncc(C2CC2)c1C[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1 ZINC000665264567 430874873 /nfs/dbraw/zinc/87/48/73/430874873.db2.gz CHARYZARPNXOGU-DJIMGWMZSA-N 2 0 302.466 2.698 20 0 DFADRP C[C@@H](COc1c(F)cccc1F)[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000665261806 430875120 /nfs/dbraw/zinc/87/51/20/430875120.db2.gz LWOGXKIFJRHMIM-XDQVBPFNSA-N 2 0 310.388 2.710 20 0 DFADRP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+][C@@H]1COc2cc(F)ccc2C1 ZINC000665267013 430877256 /nfs/dbraw/zinc/87/72/56/430877256.db2.gz NVEQMNXVQHHDIM-KKXDTOCCSA-N 2 0 314.404 2.677 20 0 DFADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CCOC2(C)C)[C@@H](C)C1 ZINC000658331190 430877687 /nfs/dbraw/zinc/87/76/87/430877687.db2.gz MBBQJLZVHZQYDE-ULQDDVLXSA-N 2 0 312.498 2.528 20 0 DFADRP C[C@H](c1ccccc1)[C@H](O)C[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@H]21 ZINC000658337944 430878174 /nfs/dbraw/zinc/87/81/74/430878174.db2.gz BLTOVRHKLUTGGU-LZBKUMLDSA-N 2 0 302.462 2.613 20 0 DFADRP FC1(F)CC12CCC([NH2+][C@@H]1CCOC[C@@H]1[C@@H]1CCC[NH2+]1)CC2 ZINC000665273800 430878641 /nfs/dbraw/zinc/87/86/41/430878641.db2.gz DMNLOEDFDHMTFE-JJCQNKCGSA-N 2 0 314.420 2.701 20 0 DFADRP COc1ccc([C@@H](C)[C@H](C)[NH2+]CC23CC(C2)C[NH2+]3)cc1OC ZINC000665280027 430880041 /nfs/dbraw/zinc/88/00/41/430880041.db2.gz RJZRFGKHBNFDRD-RKSAHCFOSA-N 2 0 304.434 2.537 20 0 DFADRP O[C@H]1C[C@H]([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@H]3CCC[C@H]32)C1 ZINC000658347828 430882708 /nfs/dbraw/zinc/88/27/08/430882708.db2.gz HTHVCVVTQHAAJC-FKSLSLAPSA-N 2 0 300.446 2.543 20 0 DFADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@H]2CCN2Cc2ccccc2)[C@H](C)C1 ZINC000658349917 430883273 /nfs/dbraw/zinc/88/32/73/430883273.db2.gz VPLRAMHVBLLZNM-QRQLOZEOSA-N 2 0 301.478 2.581 20 0 DFADRP O[C@H]1C[C@H]([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@H]3CCC[C@@H]32)C1 ZINC000658347835 430883449 /nfs/dbraw/zinc/88/34/49/430883449.db2.gz HTHVCVVTQHAAJC-NNIGNNQHSA-N 2 0 300.446 2.543 20 0 DFADRP C[NH+](C)CCCN(CCC[NH+](C)C)Cc1cc2cnccc2o1 ZINC000651807857 430883597 /nfs/dbraw/zinc/88/35/97/430883597.db2.gz WATVLVRLSOPMNB-UHFFFAOYSA-N 2 0 318.465 2.533 20 0 DFADRP CC[C@@H]([NH2+]C1CCN(C(=O)CCC[NH2+]C)CC1)c1cccs1 ZINC000665285162 430884909 /nfs/dbraw/zinc/88/49/09/430884909.db2.gz FIATZBCLHYYYSC-OAHLLOKOSA-N 2 0 323.506 2.779 20 0 DFADRP CCC[C@@H]1CCC[C@@H]1[NH2+]C1CCN(C(=O)CCC[NH2+]C)CC1 ZINC000665289266 430887008 /nfs/dbraw/zinc/88/70/08/430887008.db2.gz JWELTXGIRIPWCU-WBVHZDCISA-N 2 0 309.498 2.535 20 0 DFADRP CC[C@@H]([NH2+]C1CCN(C(=O)CCC[NH2+]C)CC1)C1CCCC1 ZINC000665288999 430887552 /nfs/dbraw/zinc/88/75/52/430887552.db2.gz CRYNEPXDYHFEKK-QGZVFWFLSA-N 2 0 309.498 2.535 20 0 DFADRP CC[C@@H]1C[N@H+](CC)CCN1Cc1ccc(OCC[NH+](C)C)cc1 ZINC000648775151 430887523 /nfs/dbraw/zinc/88/75/23/430887523.db2.gz VSNJYYZKGYJHND-GOSISDBHSA-N 2 0 319.493 2.543 20 0 DFADRP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)Cc2cccc3c2CCC3)CC1 ZINC000651634788 430838067 /nfs/dbraw/zinc/83/80/67/430838067.db2.gz BTXNDQSZYDEGEJ-MRXNPFEDSA-N 2 0 316.489 2.700 20 0 DFADRP Cn1cc(C[C@@H]2CCC[C@H]2[NH2+]CC[C@H]2CCCC[N@@H+]2C)cn1 ZINC000661779906 430838950 /nfs/dbraw/zinc/83/89/50/430838950.db2.gz OLEREKMMSKBHFD-RCCFBDPRSA-N 2 0 304.482 2.595 20 0 DFADRP Cn1cc(C[C@H]2CCC[C@H]2[NH2+]CCC[NH+]2CCCCC2)cn1 ZINC000661784717 430840770 /nfs/dbraw/zinc/84/07/70/430840770.db2.gz RIECEYYQPAWZJP-QZTJIDSGSA-N 2 0 304.482 2.597 20 0 DFADRP [NH3+]Cc1cc(=O)[nH]c(C[NH2+]C2CCC(C3CCCCC3)CC2)n1 ZINC000665292718 430888725 /nfs/dbraw/zinc/88/87/25/430888725.db2.gz IEMRSVCLYYHWOF-UHFFFAOYSA-N 2 0 318.465 2.870 20 0 DFADRP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1[NH2+]C[C@]1(c2ccccc2)CC1(C)C ZINC000665299309 430890187 /nfs/dbraw/zinc/89/01/87/430890187.db2.gz KERLXGQLIWYUFZ-XPYUAMARSA-N 2 0 302.462 2.696 20 0 DFADRP CO[C@H]([C@@H](C)[NH2+]Cc1ccc(OCC[NH+](C)C)cc1)C1CC1 ZINC000648797003 430896032 /nfs/dbraw/zinc/89/60/32/430896032.db2.gz CGVKBEOINOESOW-RDTXWAMCSA-N 2 0 306.450 2.530 20 0 DFADRP Cc1cc(C[NH2+]CCC[N@@H+](C)CC(C)C)ccc1-n1cncn1 ZINC000651865606 430896380 /nfs/dbraw/zinc/89/63/80/430896380.db2.gz AGKTTWXQYVXZCS-UHFFFAOYSA-N 2 0 315.465 2.643 20 0 DFADRP CC[N@H+](Cc1ccc(OCC[NH+](C)C)cc1)[C@H]1CCCOC1 ZINC000651948345 430923036 /nfs/dbraw/zinc/92/30/36/430923036.db2.gz JNVTXHJKOHWCTO-KRWDZBQOSA-N 2 0 306.450 2.628 20 0 DFADRP C[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]CC[C@@]2(O)CCCOC2)CC1 ZINC000652046211 430943546 /nfs/dbraw/zinc/94/35/46/430943546.db2.gz OWYYFDRFNXPCTK-NEWSRXKRSA-N 2 0 324.509 2.551 20 0 DFADRP C[N@H+](CCC(=O)N[C@H]1CCC[NH+]2CCCC[C@H]12)C1CCCCC1 ZINC000655349947 430971322 /nfs/dbraw/zinc/97/13/22/430971322.db2.gz MTXPIBLGKOWGLB-ZWKOTPCHSA-N 2 0 321.509 2.774 20 0 DFADRP O[C@H]1CC[N@@H+](C2CCN([C@@H]3CCc4c3cccc4Cl)CC2)C1 ZINC000662154067 430980039 /nfs/dbraw/zinc/98/00/39/430980039.db2.gz WDEXUABVTTXNJO-KBXCAEBGSA-N 2 0 320.864 2.858 20 0 DFADRP O[C@H]1CC[N@@H+](C2CCN(C/C=C/c3ccc(Cl)cc3)CC2)C1 ZINC000662152412 430980532 /nfs/dbraw/zinc/98/05/32/430980532.db2.gz UNWUHOKJYVNPKB-KROLTMCQSA-N 2 0 320.864 2.884 20 0 DFADRP C[NH+]1CCC2(CC1)CN(c1cc[nH+]c3cc(F)ccc31)CCO2 ZINC000645384385 430987759 /nfs/dbraw/zinc/98/77/59/430987759.db2.gz CTQZCEBIFAKFEA-UHFFFAOYSA-N 2 0 315.392 2.675 20 0 DFADRP C[C@H]1[NH2+]CC[C@H]1C(=O)Nc1cccc(C[NH+]2CCCCC2)c1 ZINC000645465121 431008697 /nfs/dbraw/zinc/00/86/97/431008697.db2.gz GLTOOOFEVRKRAU-RHSMWYFYSA-N 2 0 301.434 2.609 20 0 DFADRP Cc1ccc([C@H]2CSCC[N@@H+]2C[C@@H]2CCC3(C[NH2+]C3)O2)cc1 ZINC000662256275 431020498 /nfs/dbraw/zinc/02/04/98/431020498.db2.gz UUNLQYCBXVKKRY-DLBZAZTESA-N 2 0 318.486 2.606 20 0 DFADRP Cc1cc(C)n([C@@H]2CCC[N@H+](Cc3cccc4c3CC[NH2+]C4)C2)n1 ZINC000662263202 431021283 /nfs/dbraw/zinc/02/12/83/431021283.db2.gz KXZZIYAVECJPIT-LJQANCHMSA-N 2 0 324.472 2.983 20 0 DFADRP COc1ccc(-c2cc(C[N@@H+]3C[C@@H]4CC[C@@H]([NH3+])[C@@H]4C3)on2)cc1 ZINC000662267704 431023864 /nfs/dbraw/zinc/02/38/64/431023864.db2.gz YBIAWLKUALQFBC-IAOVAPTHSA-N 2 0 313.401 2.519 20 0 DFADRP COc1ccc(C2CC[NH+](CCC3CC[NH2+]CC3)CC2)nc1 ZINC000652344438 431025516 /nfs/dbraw/zinc/02/55/16/431025516.db2.gz FYZKEXQLXDSHFT-UHFFFAOYSA-N 2 0 303.450 2.659 20 0 DFADRP C[C@H]1CCC[N@H+](CCCCNC(=O)c2cccc3c2C[NH2+]C3)C1 ZINC000662389605 431069289 /nfs/dbraw/zinc/06/92/89/431069289.db2.gz UDTSTULPHYKRRG-HNNXBMFYSA-N 2 0 315.461 2.532 20 0 DFADRP Oc1ccc2c(c1)CC[N@@H+](Cc1ccc3c(c1)C[NH2+]CC3)CC2 ZINC000652337527 431025939 /nfs/dbraw/zinc/02/59/39/431025939.db2.gz RIYAENNVJODYCX-UHFFFAOYSA-N 2 0 308.425 2.639 20 0 DFADRP c1ccc2c(CC[NH+]3CCC4(CC[NH2+]C4)CC3)nsc2c1 ZINC000662272689 431027142 /nfs/dbraw/zinc/02/71/42/431027142.db2.gz GXCYWHBZVTUENJ-UHFFFAOYSA-N 2 0 301.459 2.914 20 0 DFADRP Cc1cc(C[N@@H+]2CCCC[C@@H]2[C@@H](C[NH3+])Cc2ccccc2)ncn1 ZINC000662271726 431028132 /nfs/dbraw/zinc/02/81/32/431028132.db2.gz YOABRJXSYVEQBO-UYAOXDASSA-N 2 0 324.472 2.957 20 0 DFADRP Cc1ccc(NC(=O)[C@H](C)N2C[C@@H]3CCC[C@]3(C[NH3+])C2)c(C)c1 ZINC000652350984 431028216 /nfs/dbraw/zinc/02/82/16/431028216.db2.gz BYIFQYSCEXAMHL-BXWFABGCSA-N 2 0 315.461 2.691 20 0 DFADRP CCO[C@H](C)c1nc(CN2C[C@@H]3CCC[C@]3(C[NH3+])C2)cs1 ZINC000652352374 431028365 /nfs/dbraw/zinc/02/83/65/431028365.db2.gz MMIRBWRMVUCLHK-WWGRRREGSA-N 2 0 309.479 2.801 20 0 DFADRP Cc1ccc(NC(=O)[C@@H](C)N2C[C@@H]3CCC[C@]3(C[NH3+])C2)c(C)c1 ZINC000652350985 431028473 /nfs/dbraw/zinc/02/84/73/431028473.db2.gz BYIFQYSCEXAMHL-GJYPPUQNSA-N 2 0 315.461 2.691 20 0 DFADRP COc1ccc(-c2cc(C[N@@H+]3CCC[C@@H](CC[NH3+])C3)on2)cc1 ZINC000662273698 431029270 /nfs/dbraw/zinc/02/92/70/431029270.db2.gz YPMOJHASAINMIM-AWEZNQCLSA-N 2 0 315.417 2.911 20 0 DFADRP COc1ccc([C@H](C[NH3+])C[N@@H+]2CCC[C@H](OC(C)C)C2)cc1 ZINC000652353195 431031195 /nfs/dbraw/zinc/03/11/95/431031195.db2.gz OXNIYUXSERISFD-AEFFLSMTSA-N 2 0 306.450 2.627 20 0 DFADRP CC(C)N(C(=O)C[N@@H+]1CCC[C@@H](C)[C@@H]1CC[NH3+])C1CCCC1 ZINC000652355057 431031339 /nfs/dbraw/zinc/03/13/39/431031339.db2.gz OCTMXKUPAMPTKD-WBVHZDCISA-N 2 0 309.498 2.615 20 0 DFADRP CC1(C)CCCC[C@H]1C[N@@H+]1CC2(CC[NH2+]CC2)[C@@H]2COC[C@@H]21 ZINC000662282108 431031719 /nfs/dbraw/zinc/03/17/19/431031719.db2.gz RYNPCMJWZLFGTD-BBWFWOEESA-N 2 0 306.494 2.903 20 0 DFADRP CO[C@H](C[NH+]1CCC([C@H]2C[C@H]([NH3+])CCO2)CC1)C1CCCCC1 ZINC000662280418 431031744 /nfs/dbraw/zinc/03/17/44/431031744.db2.gz DMEYTAGRAPHGQJ-GUDVDZBRSA-N 2 0 324.509 2.800 20 0 DFADRP c1ccc(O[C@H]2CC[N@@H+](Cc3cccc4c3CC[NH2+]C4)C2)cc1 ZINC000662283390 431031770 /nfs/dbraw/zinc/03/17/70/431031770.db2.gz NJKNIHSRGDNWEJ-IBGZPJMESA-N 2 0 308.425 2.986 20 0 DFADRP C[C@@H]1CCCC[C@@H]1OCC[N@@H+]1CCCC[C@@H]1[C@@H]1C[C@@H]([NH3+])CCO1 ZINC000652361831 431032132 /nfs/dbraw/zinc/03/21/32/431032132.db2.gz QKFBLLGUMGBGLF-LFDJNIOPSA-N 2 0 324.509 2.943 20 0 DFADRP CO[C@H](C[NH+]1CCC([C@@H]2OCCC[C@@H]2[NH3+])CC1)c1ccccc1 ZINC000662282384 431032393 /nfs/dbraw/zinc/03/23/93/431032393.db2.gz UIYYZGYKVGZKNU-OTWHNJEPSA-N 2 0 318.461 2.592 20 0 DFADRP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCC[N@@H+]2Cc2c(F)cccc2F)C1 ZINC000652363716 431032549 /nfs/dbraw/zinc/03/25/49/431032549.db2.gz LVLSRJXQEKDJQB-CSMYWGQOSA-N 2 0 310.388 2.826 20 0 DFADRP Fc1cccc(C2CC[NH+](C[C@H]3CCC4(C[NH2+]C4)O3)CC2)c1F ZINC000662282332 431032607 /nfs/dbraw/zinc/03/26/07/431032607.db2.gz GCVHDUSZEOQYQR-CQSZACIVSA-N 2 0 322.399 2.665 20 0 DFADRP COc1ccc(CC[N@@H+]2CCCC[C@@H]2[C@@H]2C[C@@H]([NH3+])CCO2)cc1 ZINC000652360978 431033003 /nfs/dbraw/zinc/03/30/03/431033003.db2.gz VMNXNIQTDFXSSP-UHOSZYNNSA-N 2 0 318.461 2.599 20 0 DFADRP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCC[N@@H+]2CCOc2ccc(F)cc2)C1 ZINC000652360787 431033306 /nfs/dbraw/zinc/03/33/06/431033306.db2.gz QJSNTBUHJWKBAN-BPQIPLTHSA-N 2 0 322.424 2.565 20 0 DFADRP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCC[N@@H+]2CCCOc2ccccc2)C1 ZINC000652361755 431033317 /nfs/dbraw/zinc/03/33/17/431033317.db2.gz OOINDMQIWOSVHY-NZSAHSFTSA-N 2 0 318.461 2.816 20 0 DFADRP CN1CC[C@@H]([NH2+]Cc2cccc3c2CC[NH2+]C3)[C@@H]1c1ccccc1 ZINC000662284545 431033394 /nfs/dbraw/zinc/03/33/94/431033394.db2.gz ZBKSWBSZSCKTIV-RTWAWAEBSA-N 2 0 321.468 2.867 20 0 DFADRP CC(C)c1cccc(C[N@@H+]2CCC[C@H](n3cc(C[NH3+])nn3)C2)c1 ZINC000662282634 431033755 /nfs/dbraw/zinc/03/37/55/431033755.db2.gz PNSXQTRLBTZZAV-SFHVURJKSA-N 2 0 313.449 2.697 20 0 DFADRP Cc1ccc2nc(C[NH+]3CCC([C@@H]4CCC[NH2+]C4)CC3)cn2c1 ZINC000662291414 431034668 /nfs/dbraw/zinc/03/46/68/431034668.db2.gz HFZSZZCBOGFRSV-QGZVFWFLSA-N 2 0 312.461 2.854 20 0 DFADRP CO[C@H](C[N@@H+]1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1)c1ccccc1 ZINC000662286206 431035876 /nfs/dbraw/zinc/03/58/76/431035876.db2.gz POYUNBFUUTWTOR-INDMIFKZSA-N 2 0 318.461 2.592 20 0 DFADRP COc1ccc(OCC[NH+]2CCC([C@@H]3CCC[NH2+]C3)CC2)cc1 ZINC000662290217 431035885 /nfs/dbraw/zinc/03/58/85/431035885.db2.gz NRIVXEQEHSUQNK-QGZVFWFLSA-N 2 0 318.461 2.786 20 0 DFADRP C[C@@H](C(=O)NC1CCCCC1)[N@@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662298031 431037279 /nfs/dbraw/zinc/03/72/79/431037279.db2.gz UEGVHVHOXPJIOL-RDJZCZTQSA-N 2 0 321.509 2.535 20 0 DFADRP c1ccc(COCC[NH+]2CCC([C@H]3CCC[NH2+]C3)CC2)cc1 ZINC000662295243 431037326 /nfs/dbraw/zinc/03/73/26/431037326.db2.gz UQOQMMHLOGGJCT-IBGZPJMESA-N 2 0 302.462 2.915 20 0 DFADRP c1cc(CC[N@@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)cc2c1OCC2 ZINC000662295968 431039102 /nfs/dbraw/zinc/03/91/02/431039102.db2.gz JNFHEEVUYVZBPK-LJQANCHMSA-N 2 0 314.473 2.876 20 0 DFADRP CC(C)C[NH+]1CCC(NC(=O)[C@H](C(C)C)[NH+]2CCCCC2)CC1 ZINC000354783285 278869383 /nfs/dbraw/zinc/86/93/83/278869383.db2.gz FSPOSRGWKCTDSX-SFHVURJKSA-N 2 0 323.525 2.734 20 0 DFADRP Cc1ccsc1CNC(=O)C[N@H+]1CCC[C@@H](C)[C@H]1CCC[NH3+] ZINC000662312766 431042677 /nfs/dbraw/zinc/04/26/77/431042677.db2.gz DMMVVFQKJWORNR-UKRRQHHQSA-N 2 0 323.506 2.512 20 0 DFADRP C[C@@H]1CCC[N@H+](Cc2nc3ccccc3c(=O)[nH]2)[C@@H]1CCC[NH3+] ZINC000662313397 431043880 /nfs/dbraw/zinc/04/38/80/431043880.db2.gz LZZGBAVWXXJCQS-CZUORRHYSA-N 2 0 314.433 2.675 20 0 DFADRP C[NH+](C)CCC[C@H]1C[N@H+](Cc2cccc3cccnc32)CCO1 ZINC000662324194 431045960 /nfs/dbraw/zinc/04/59/60/431045960.db2.gz VUYAQIAZXMWZNE-SFHVURJKSA-N 2 0 313.445 2.777 20 0 DFADRP C[NH+](C)CCC[C@@H]1C[N@H+](CCCc2cccc(F)c2)CCO1 ZINC000662325847 431046357 /nfs/dbraw/zinc/04/63/57/431046357.db2.gz QVBPCKUCWKFEBB-GOSISDBHSA-N 2 0 308.441 2.801 20 0 DFADRP C[NH+](C)CCC[C@H]1C[N@H+](CCCOCc2ccccc2)CCO1 ZINC000662321379 431047203 /nfs/dbraw/zinc/04/72/03/431047203.db2.gz BZFOMBHCERMVAL-IBGZPJMESA-N 2 0 320.477 2.636 20 0 DFADRP CC[C@@H]([NH2+]C)C(=O)NC[C@H](c1cccs1)[NH+]1CCC(C)CC1 ZINC000662346806 431052547 /nfs/dbraw/zinc/05/25/47/431052547.db2.gz VALPOSPBEKMJLC-HUUCEWRRSA-N 2 0 323.506 2.635 20 0 DFADRP CC[NH+](CC)CCOc1ccccc1NC(=O)C[C@@H]([NH3+])C(C)C ZINC000649284967 431057068 /nfs/dbraw/zinc/05/70/68/431057068.db2.gz PLQGFHUPSIIEID-OAHLLOKOSA-N 2 0 321.465 2.719 20 0 DFADRP CC(C)[N@H+](C)Cc1cccc(CNC(=O)[C@H]2CCCCC[NH2+]2)c1 ZINC000649306870 431062574 /nfs/dbraw/zinc/06/25/74/431062574.db2.gz VTCCJFIEKMVQHT-GOSISDBHSA-N 2 0 317.477 2.675 20 0 DFADRP CC(C)[NH2+]CC(=O)NCc1ccc(C[NH+]2CCC(C)CC2)cc1 ZINC000662374169 431063716 /nfs/dbraw/zinc/06/37/16/431063716.db2.gz IOIIAMUDCULBQY-UHFFFAOYSA-N 2 0 317.477 2.533 20 0 DFADRP C[NH+](C)Cc1ccc(NC(=O)c2cc3c(s2)CC[NH2+]C3)cc1 ZINC000662374846 431064979 /nfs/dbraw/zinc/06/49/79/431064979.db2.gz KSIFTBZPIGOZBY-UHFFFAOYSA-N 2 0 315.442 2.708 20 0 DFADRP Cc1ccc2[nH+]ccc(N3CC[C@@H]([NH+]4CCOCC4)[C@@H]3C)c2c1 ZINC000357593598 278903760 /nfs/dbraw/zinc/90/37/60/278903760.db2.gz HPEDEFBJTBJINV-MAUKXSAKSA-N 2 0 311.429 2.843 20 0 DFADRP CC[C@@H]([NH2+]C)C(=O)NC[C@@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC000662382380 431066510 /nfs/dbraw/zinc/06/65/10/431066510.db2.gz JBRJJVDUFNNHGH-CVEARBPZSA-N 2 0 323.868 2.591 20 0 DFADRP C[C@H]([NH2+]C(C)(C)CNC(=O)[C@H]1CCC[C@@H]1C[NH3+])c1ccccc1 ZINC000649322222 431066829 /nfs/dbraw/zinc/06/68/29/431066829.db2.gz GRFZGQZYYOCLSK-UAGQMJEPSA-N 2 0 317.477 2.607 20 0 DFADRP C[C@@H]([NH2+]C(C)(C)CNC(=O)C1CCC([NH3+])CC1)c1ccccc1 ZINC000649322172 431067601 /nfs/dbraw/zinc/06/76/01/431067601.db2.gz CUDYYGUAMSKDLN-ODIFPOPNSA-N 2 0 317.477 2.750 20 0 DFADRP CC1CC[NH+](CCCCNC(=O)c2cccc3c2C[NH2+]C3)CC1 ZINC000662388553 431068826 /nfs/dbraw/zinc/06/88/26/431068826.db2.gz OKPJZQAXQPRLOU-UHFFFAOYSA-N 2 0 315.461 2.532 20 0 DFADRP CC(C)C[C@H](C[NH3+])CC(=O)NCCCC[N@@H+]1CCC[C@H](C)C1 ZINC000662390149 431068925 /nfs/dbraw/zinc/06/89/25/431068925.db2.gz WWIFQXUHBCKGGL-IRXDYDNUSA-N 2 0 311.514 2.626 20 0 DFADRP c1ccc(CC[C@@H]2CCC[N@@H+]2C[C@H]2CCC3(C[NH2+]C3)O2)cc1 ZINC000662251109 431014778 /nfs/dbraw/zinc/01/47/78/431014778.db2.gz YWUUMXVSCNPRPH-ZWKOTPCHSA-N 2 0 300.446 2.605 20 0 DFADRP C[C@@H]1C[C@H](c2ccc(F)cc2)C[N@@H+]1C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662254820 431015485 /nfs/dbraw/zinc/01/54/85/431015485.db2.gz ADWDZXGMKJDYLK-KMFMINBZSA-N 2 0 304.409 2.525 20 0 DFADRP c1ccc(C[C@H]2CCCC[N@H+]2C[C@@H]2CCC3(C[NH2+]C3)O2)cc1 ZINC000662256155 431016602 /nfs/dbraw/zinc/01/66/02/431016602.db2.gz HJUHFLUKPSLOMF-MSOLQXFVSA-N 2 0 300.446 2.605 20 0 DFADRP C[C@@H]1CC(C)(C)C[C@](CO)([NH2+]Cc2cccc3c2CC[NH2+]C3)C1 ZINC000662258543 431017648 /nfs/dbraw/zinc/01/76/48/431017648.db2.gz JRXKZVMEENCPHZ-FOIQADDNSA-N 2 0 316.489 2.999 20 0 DFADRP Cc1ccc(C[N@H+](C[C@@H]2CCC3(C[NH2+]C3)O2)C2CC2)cc1C ZINC000662258142 431017760 /nfs/dbraw/zinc/01/77/60/431017760.db2.gz XFAOSXXIJMGSQC-SFHVURJKSA-N 2 0 300.446 2.789 20 0 DFADRP CC[C@@H]([NH2+]C)C(=O)Nc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000662389216 431069136 /nfs/dbraw/zinc/06/91/36/431069136.db2.gz WDIUIOUEHUKNDG-RHSMWYFYSA-N 2 0 303.450 2.855 20 0 DFADRP Fc1ccc([C@H]2CCCC[N@@H+]2C[C@H]2CCC3(C[NH2+]C3)O2)cc1 ZINC000662257079 431018998 /nfs/dbraw/zinc/01/89/98/431018998.db2.gz MRBNDYYPSLQNNR-IAGOWNOFSA-N 2 0 304.409 2.874 20 0 DFADRP C[C@@H]1CC[N@H+](C[C@@H]2CCC3(C[NH2+]C3)O2)[C@H]1c1cccc(F)c1 ZINC000662256242 431019258 /nfs/dbraw/zinc/01/92/58/431019258.db2.gz HQQSCZHHDJIFFB-XOKHGSTOSA-N 2 0 304.409 2.730 20 0 DFADRP CC[C@H]([NH2+]C)C(=O)Nc1ccc(SCC[NH+]2CCCC2)cc1 ZINC000662584522 431123513 /nfs/dbraw/zinc/12/35/13/431123513.db2.gz PFLYBKAFVRAZQT-INIZCTEOSA-N 2 0 321.490 2.811 20 0 DFADRP CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)[C@@H]1CCCCCC[C@@H]1[NH3+] ZINC000649341721 431070829 /nfs/dbraw/zinc/07/08/29/431070829.db2.gz SRDIMVANPHASCA-BBWFWOEESA-N 2 0 309.498 2.617 20 0 DFADRP C[N@@H+]1CCC[C@@H](CNC(=O)CCC(C)(C)[NH3+])[C@H]1c1cccs1 ZINC000649340909 431070881 /nfs/dbraw/zinc/07/08/81/431070881.db2.gz AMILREJCCAWCOT-BBRMVZONSA-N 2 0 323.506 2.765 20 0 DFADRP CC[NH2+]Cc1cccc(NC(=O)c2cccc3c2CC[NH2+]C3)c1 ZINC000662398833 431071747 /nfs/dbraw/zinc/07/17/47/431071747.db2.gz JLOCIIXRUYMKJP-UHFFFAOYSA-N 2 0 309.413 2.694 20 0 DFADRP CCC[N@H+](C)C[C@H]1CCN(C(=O)[C@@H]([NH3+])c2cccc(Cl)c2)C1 ZINC000649343944 431072259 /nfs/dbraw/zinc/07/22/59/431072259.db2.gz HSMWAZQETHCXEE-CJNGLKHVSA-N 2 0 323.868 2.530 20 0 DFADRP CC[C@H]([NH2+]C)C(=O)NCc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000662423278 431077254 /nfs/dbraw/zinc/07/72/54/431077254.db2.gz NGSLTEVUEYQQOT-SFHVURJKSA-N 2 0 317.477 2.677 20 0 DFADRP Cc1ccc([C@H](CNC(=O)C[C@H]([NH3+])C(C)C)[NH+]2CCCC2)cc1 ZINC000645801975 431077682 /nfs/dbraw/zinc/07/76/82/431077682.db2.gz YLINIFGZDRSEEH-ROUUACIJSA-N 2 0 317.477 2.622 20 0 DFADRP CC(C)C[C@H](CNC(=O)C[NH2+]C(C)C)[NH2+][C@H](C)c1ccccc1 ZINC000662453524 431084708 /nfs/dbraw/zinc/08/47/08/431084708.db2.gz BPRVZNWEKWOMJB-SJLPKXTDSA-N 2 0 319.493 2.866 20 0 DFADRP CC[C@H]1CCCC[N@@H+]1CCNC(=O)C[C@H]1[NH2+]Cc2ccccc21 ZINC000662458460 431086386 /nfs/dbraw/zinc/08/63/86/431086386.db2.gz MKWZTHVWMWORHJ-FUHWJXTLSA-N 2 0 315.461 2.602 20 0 DFADRP C(C[C@@H]1CCOC1)C[NH+]1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000645849664 431090527 /nfs/dbraw/zinc/09/05/27/431090527.db2.gz UHIDAFDAGAZPOA-LJQANCHMSA-N 2 0 324.509 2.628 20 0 DFADRP Clc1ccc(N2CC[NH+](CCCC3CC[NH2+]CC3)CC2)nc1 ZINC000649411551 431092832 /nfs/dbraw/zinc/09/28/32/431092832.db2.gz DUOYEAWEMHSRIL-UHFFFAOYSA-N 2 0 322.884 2.637 20 0 DFADRP C[N@H+](CCC[NH3+])Cc1cc(Br)cc2cccnc21 ZINC000649410145 431093039 /nfs/dbraw/zinc/09/30/39/431093039.db2.gz TWOLPCBMTYQQHF-UHFFFAOYSA-N 2 0 308.223 2.778 20 0 DFADRP C[C@@H]1C[C@H](N(C)C[C@H]2CC[NH2+]C2)CC[N@@H+]1Cc1ccccc1 ZINC000649413520 431093951 /nfs/dbraw/zinc/09/39/51/431093951.db2.gz CIBAFYHYFJLNCP-NZSAHSFTSA-N 2 0 301.478 2.581 20 0 DFADRP CCCN(C[C@@H]1CC[NH2+]C1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000649411913 431094410 /nfs/dbraw/zinc/09/44/10/431094410.db2.gz TVEYAQWXLWDVJN-WOJBJXKFSA-N 2 0 315.505 2.973 20 0 DFADRP Cc1cc2c(c(C)c1)[C@@H]([NH2+][C@H](C)CN1CC[NH+](C)CC1)CC2 ZINC000655711198 431094738 /nfs/dbraw/zinc/09/47/38/431094738.db2.gz GISDXNVTHFZISB-AEFFLSMTSA-N 2 0 301.478 2.516 20 0 DFADRP Cn1c2ccccc2nc1CC[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000649415222 431095876 /nfs/dbraw/zinc/09/58/76/431095876.db2.gz QCMPHBPFYKBXOR-HZPDHXFCSA-N 2 0 312.461 2.580 20 0 DFADRP CC[NH2+]Cc1cccc(NC(=O)N(C)CC[NH+]2CCCCC2)c1 ZINC000652610979 431100100 /nfs/dbraw/zinc/10/01/00/431100100.db2.gz SQRAYOMZAHRJBC-UHFFFAOYSA-N 2 0 318.465 2.746 20 0 DFADRP C[NH+](C)[C@@H](CNC(=O)C[C@@H]1[NH2+]Cc2ccccc21)c1ccccc1 ZINC000662523164 431104377 /nfs/dbraw/zinc/10/43/77/431104377.db2.gz JKLILGIQWSNAFP-OALUTQOASA-N 2 0 323.440 2.640 20 0 DFADRP C[C@H](c1ccccc1)[C@H](O)C[N@H+](C)C[C@@H]1CCc2nccn2C1 ZINC000649460626 431108253 /nfs/dbraw/zinc/10/82/53/431108253.db2.gz DEVDJMVETWPBEU-SOLBZPMBSA-N 2 0 313.445 2.542 20 0 DFADRP [NH3+][C@H](CC1CCCCC1)C(=O)N1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662596941 431127663 /nfs/dbraw/zinc/12/76/63/431127663.db2.gz UEOKULBLAHQPEB-ZWKOTPCHSA-N 2 0 321.509 2.522 20 0 DFADRP CC(C)C[C@H](CNC(=O)CC(C)(C)[NH3+])[NH2+][C@H](C)c1ccccc1 ZINC000645964357 431132689 /nfs/dbraw/zinc/13/26/89/431132689.db2.gz FSXKGLFSHYGZSO-NVXWUHKLSA-N 2 0 319.493 2.996 20 0 DFADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+][C@@H]1CCc2nc(C(C)(C)C)cn2C1 ZINC000360942389 288107134 /nfs/dbraw/zinc/10/71/34/288107134.db2.gz OWCQHUHOUHXSNJ-KLHDSHLOSA-N 2 0 318.509 2.814 20 0 DFADRP CC[NH+](CC)Cc1ccccc1CNC(=O)[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000236907823 279138687 /nfs/dbraw/zinc/13/86/87/279138687.db2.gz QODHDEGBKRAUPX-CRAIPNDOSA-N 2 0 317.477 2.662 20 0 DFADRP CC[NH+](CC)[C@@H](C(=O)N(C)[C@H]1CCC[N@H+](C)C1)c1ccccc1 ZINC000357401506 279140635 /nfs/dbraw/zinc/14/06/35/279140635.db2.gz PTIOYLIDUXGGJZ-ZWKOTPCHSA-N 2 0 317.477 2.622 20 0 DFADRP FC1(F)C[C@@H]1OCC[NH+]1CCC(C[NH+]2CCCCCC2)CC1 ZINC000659837155 431133675 /nfs/dbraw/zinc/13/36/75/431133675.db2.gz DCFZZMGVHQLVPO-INIZCTEOSA-N 2 0 316.436 2.999 20 0 DFADRP CC[NH+](CC)[C@H](CNC(=O)[C@@H]1CCCC[N@@H+]1CC)CC(C)C ZINC000353847290 279163764 /nfs/dbraw/zinc/16/37/64/279163764.db2.gz SZZFNUPSNBNJHF-IRXDYDNUSA-N 2 0 311.514 2.734 20 0 DFADRP C[C@H](CCC[NH3+])[NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]12 ZINC000309894096 279256251 /nfs/dbraw/zinc/25/62/51/279256251.db2.gz FVDWITMUFAASFT-OQIJWPOYSA-N 3 0 301.478 2.614 20 0 DFADRP C[C@H](C[NH2+][C@@H]1CCc2cc(Cl)ccc21)CN1CC[NH+](C)CC1 ZINC000121039503 279350479 /nfs/dbraw/zinc/35/04/79/279350479.db2.gz YZBIMMAPBXYQTL-RDTXWAMCSA-N 2 0 321.896 2.800 20 0 DFADRP C[C@@H]1C[C@@H](C)C[NH+](CCN2CCC[C@@H]([NH+]3CCCC3)CC2)C1 ZINC000659943802 431201108 /nfs/dbraw/zinc/20/11/08/431201108.db2.gz FILAEADIWJVWMU-GUDVDZBRSA-N 2 0 307.526 2.915 20 0 DFADRP CCN(C(=O)CC1([NH3+])CC1)[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000662693873 431165488 /nfs/dbraw/zinc/16/54/88/431165488.db2.gz MKUQPRJFOBIGMI-NVXWUHKLSA-N 2 0 315.461 2.552 20 0 DFADRP c1c(C[NH+]2CCC(CCC[NH+]3CCCC3)CC2)nn2c1CCC2 ZINC000649567462 431166428 /nfs/dbraw/zinc/16/64/28/431166428.db2.gz RVCIOLKDSZAYJM-UHFFFAOYSA-N 2 0 316.493 2.917 20 0 DFADRP C[C@@H]([NH2+][C@@H]1CCN(c2ccc(F)cc2)C1)C1CC[NH+](C)CC1 ZINC000666269218 431170236 /nfs/dbraw/zinc/17/02/36/431170236.db2.gz JJEBWHLGNAIHCJ-RHSMWYFYSA-N 2 0 305.441 2.724 20 0 DFADRP COc1ccc(C[NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)c(Cl)c1OC ZINC000655826562 431170657 /nfs/dbraw/zinc/17/06/57/431170657.db2.gz IRMAIPVVUROOGB-BJHJDKERSA-N 2 0 312.841 2.787 20 0 DFADRP CCOc1c(C[NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)c(C)nn1CC(C)C ZINC000655827002 431171862 /nfs/dbraw/zinc/17/18/62/431171862.db2.gz MEKMKWLIGPJFHF-IYBDPMFKSA-N 2 0 322.497 2.676 20 0 DFADRP C[NH+](C)[C@H]1C[C@@H](C[NH2+]Cc2c[nH]nc2-c2c(F)cccc2F)C1 ZINC000655827299 431172083 /nfs/dbraw/zinc/17/20/83/431172083.db2.gz QUNUTGPKUKGDLV-BJHJDKERSA-N 2 0 320.387 2.785 20 0 DFADRP CC[C@H](CC(F)F)C[N@H+](C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000659892138 431177019 /nfs/dbraw/zinc/17/70/19/431177019.db2.gz RWZBIDSDCBJWKE-UONOGXRCSA-N 2 0 306.441 2.692 20 0 DFADRP C[C@@H](Cc1ccccn1)[NH2+]Cc1ccc(OCC[NH+](C)C)cc1 ZINC000655844782 431183424 /nfs/dbraw/zinc/18/34/24/431183424.db2.gz XBBZJSTWDLBHQB-INIZCTEOSA-N 2 0 313.445 2.743 20 0 DFADRP CCc1ccc(CC[N@@H+]2CCOC3(CC[NH+](C)CC3)C2)cc1 ZINC000646104276 431186459 /nfs/dbraw/zinc/18/64/59/431186459.db2.gz GIDULZCHYVBFBS-UHFFFAOYSA-N 2 0 302.462 2.588 20 0 DFADRP C[NH+]1CCC2(CC1)C[N@H+](CC/C=C/c1ccccc1)CCO2 ZINC000646106678 431187877 /nfs/dbraw/zinc/18/78/77/431187877.db2.gz LETRNAVLNRHAKX-WEVVVXLNSA-N 2 0 300.446 2.887 20 0 DFADRP Cc1cc(C[NH+](C)C)cc(NC(=O)C2([NH2+]C3CC3)CCC2)c1 ZINC000662793881 431194758 /nfs/dbraw/zinc/19/47/58/431194758.db2.gz KSDRRCYSDLUPNA-UHFFFAOYSA-N 2 0 301.434 2.670 20 0 DFADRP C[N@@H+]1CCC[C@H]1CN1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000649610033 431194921 /nfs/dbraw/zinc/19/49/21/431194921.db2.gz GECLODSEQYPMSA-VQTJNVASSA-N 2 0 313.489 2.679 20 0 DFADRP Cc1ccccc1C[C@@H]1CCC[NH+]1C[C@@H](O)C[N@@H+](C)C(C)C ZINC000659931526 431196901 /nfs/dbraw/zinc/19/69/01/431196901.db2.gz OWKMXPJUDXRTTO-OALUTQOASA-N 2 0 304.478 2.703 20 0 DFADRP CC[NH+](CC)[C@@H](C(=O)N[C@@H]1CCC[C@H]1[NH+](C)C)c1ccccc1 ZINC000646011179 431146424 /nfs/dbraw/zinc/14/64/24/431146424.db2.gz HWSUNLYKTUJMMS-KZNAEPCWSA-N 2 0 317.477 2.668 20 0 DFADRP C(C[NH+]1CCOCC1)C1CC[NH+](C[C@@H]2CC[C@@H]3C[C@@H]3C2)CC1 ZINC000659860717 431153065 /nfs/dbraw/zinc/15/30/65/431153065.db2.gz CIUFIVBRQQDTQB-QRVBRYPASA-N 2 0 306.494 2.857 20 0 DFADRP CC[NH+](CC)CCN(CCC(F)(F)F)C[C@@H]1CCC[N@@H+]1C ZINC000649549666 431153875 /nfs/dbraw/zinc/15/38/75/431153875.db2.gz NTNVHGZBKNVFKR-AWEZNQCLSA-N 2 0 309.420 2.677 20 0 DFADRP Cn1cc([C@H]([NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)c2cccc(F)c2)cn1 ZINC000655804787 431154728 /nfs/dbraw/zinc/15/47/28/431154728.db2.gz BMKBSHDCVZISPF-JEBQAFNWSA-N 2 0 316.424 2.578 20 0 DFADRP C[C@@H]1CC[N@H+](Cc2ccccc2)CCN1C[C@H]1CCC[NH+]1C ZINC000649547680 431155368 /nfs/dbraw/zinc/15/53/68/431155368.db2.gz ZOVBPKSONBAINS-IEBWSBKVSA-N 2 0 301.478 2.677 20 0 DFADRP Cn1ccc([C@H]([NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)c2ccc(F)cc2)n1 ZINC000655806106 431156578 /nfs/dbraw/zinc/15/65/78/431156578.db2.gz ZEEBZLJGKWRNAL-RPVQJOFSSA-N 2 0 316.424 2.578 20 0 DFADRP C[C@H]([NH3+])c1ccc(C(=O)N[C@H]2CC[N@@H+](C3CCCCC3)C2)cc1 ZINC000662668488 431156713 /nfs/dbraw/zinc/15/67/13/431156713.db2.gz NIEDKFLMMOKDLA-YOEHRIQHSA-N 2 0 315.461 2.843 20 0 DFADRP C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1[NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000655805582 431158419 /nfs/dbraw/zinc/15/84/19/431158419.db2.gz JESCUEJUCNWIDU-LMCOJAPRSA-N 2 0 315.505 2.827 20 0 DFADRP C[NH2+]Cc1cccc(NC(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@H]23)c1 ZINC000655907679 431215221 /nfs/dbraw/zinc/21/52/21/431215221.db2.gz MDJQYBKNKGKIEG-IAGOWNOFSA-N 2 0 316.449 2.544 20 0 DFADRP CN(CC[NH+]1CCCCC1)C(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000652990216 431221359 /nfs/dbraw/zinc/22/13/59/431221359.db2.gz KIEFTUYMEGDUPL-KRWDZBQOSA-N 2 0 321.509 2.585 20 0 DFADRP C[C@@H]1C[C@H](C)C[N@@H+](CCN2CC[NH+](C)CC23CCCCC3)C1 ZINC000659987599 431224154 /nfs/dbraw/zinc/22/41/54/431224154.db2.gz AYEALEWBELRNNI-HDICACEKSA-N 2 0 307.526 2.915 20 0 DFADRP [NH3+]C[C@H]1C[N@H+](CCCc2c(F)cccc2F)CC12CCOCC2 ZINC000655941590 431225534 /nfs/dbraw/zinc/22/55/34/431225534.db2.gz XNFQAQXBPKKHBP-AWEZNQCLSA-N 2 0 324.415 2.585 20 0 DFADRP C[C@@H]1C[C@H](C[NH2+]Cc2ccc(OCC[NH+](C)C)cc2)[C@@H](C)O1 ZINC000666429287 431226576 /nfs/dbraw/zinc/22/65/76/431226576.db2.gz KWHGEMNLNVWXGI-BFYDXBDKSA-N 2 0 306.450 2.530 20 0 DFADRP c1n[nH]cc1C[N@@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000646212992 431226931 /nfs/dbraw/zinc/22/69/31/431226931.db2.gz COVHFQAKZBFXNR-UHFFFAOYSA-N 2 0 310.445 2.898 20 0 DFADRP CCC(C)(C)[NH+]1CCN(Cc2ccc3c(c2)C[NH2+]CC3)CC1 ZINC000655947240 431227171 /nfs/dbraw/zinc/22/71/71/431227171.db2.gz QBRHHKQGXXBYMU-UHFFFAOYSA-N 2 0 301.478 2.639 20 0 DFADRP [NH3+]C[C@@H]1C[N@H+](CCCc2c(F)cccc2F)CC12CCOCC2 ZINC000655941591 431227301 /nfs/dbraw/zinc/22/73/01/431227301.db2.gz XNFQAQXBPKKHBP-CQSZACIVSA-N 2 0 324.415 2.585 20 0 DFADRP C[N@@H+]1CCC[C@]2(CC[NH+](C[C@@H]3CCOc4ccccc43)C2)C1 ZINC000646243264 431235611 /nfs/dbraw/zinc/23/56/11/431235611.db2.gz SDEBCTFGYNIXIW-LPHOPBHVSA-N 2 0 300.446 2.970 20 0 DFADRP CC(C)[C@@H](C(=O)Nc1ccc(OCCC[NH+](C)C)cc1)[C@H](C)[NH3+] ZINC000646279072 431250669 /nfs/dbraw/zinc/25/06/69/431250669.db2.gz WHAYRZCKLQXISS-WMLDXEAASA-N 2 0 321.465 2.575 20 0 DFADRP CC(C)c1ccc2c(c1)[C@H](NC(=O)[C@H](N)CC[NH+](C)C)CCC2 ZINC000653158770 431287128 /nfs/dbraw/zinc/28/71/28/431287128.db2.gz KTPKHGSHKOPYRW-QZTJIDSGSA-N 2 0 317.477 2.583 20 0 DFADRP C[NH+](C)[C@H]1C[C@@H](C[NH2+]CCC(=O)Nc2ccc(Cl)cc2)C1 ZINC000656152941 431287370 /nfs/dbraw/zinc/28/73/70/431287370.db2.gz CFYGKHSLHVNUCR-JNSHFYNHSA-N 2 0 309.841 2.598 20 0 DFADRP CCc1cc(NC(=O)NCCN(C)CCC[NH+](C)C)ccc1C ZINC000666599818 431290673 /nfs/dbraw/zinc/29/06/73/431290673.db2.gz QNOMMSJOFALVCD-UHFFFAOYSA-N 2 0 320.481 2.562 20 0 DFADRP [NH3+][C@@H]1CCCCCC[C@@H]1C(=O)N1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000646385042 431291139 /nfs/dbraw/zinc/29/11/39/431291139.db2.gz VNRVEZJNTULXKJ-ZJPYXAASSA-N 2 0 321.509 2.522 20 0 DFADRP C[N@H+](C[C@H](O)CN1CCCC[C@@H]1Cc1ccccc1F)C1CC1 ZINC000649794131 431295378 /nfs/dbraw/zinc/29/53/78/431295378.db2.gz AVFFGQMPVDRMKW-MSOLQXFVSA-N 2 0 320.452 2.678 20 0 DFADRP C[N@H+](C[C@H](O)CN1CCCC[C@H]1Cc1ccccc1F)C1CC1 ZINC000649794133 431296109 /nfs/dbraw/zinc/29/61/09/431296109.db2.gz AVFFGQMPVDRMKW-ROUUACIJSA-N 2 0 320.452 2.678 20 0 DFADRP COCC[N@H+](C)CCCC1CC[NH+]([C@@H]2COC(C)(C)C2)CC1 ZINC000660159149 431298410 /nfs/dbraw/zinc/29/84/10/431298410.db2.gz QWKBZDKAVUMGDF-KRWDZBQOSA-N 2 0 312.498 2.624 20 0 DFADRP CC(C)[C@H](CN[C@H]1CCC[C@@H]([NH3+])C1)[N@@H+]1CCc2ccccc2C1 ZINC000656198222 431303845 /nfs/dbraw/zinc/30/38/45/431303845.db2.gz YMJALGGRGORENW-AABGKKOBSA-N 2 0 315.505 2.929 20 0 DFADRP CC(C)[NH+]1CCN(c2cccc(N[C@H]3CCC[C@H]([NH3+])C3)c2)CC1 ZINC000656197918 431306320 /nfs/dbraw/zinc/30/63/20/431306320.db2.gz DMUIXBZSOLSNIN-IRXDYDNUSA-N 2 0 316.493 2.899 20 0 DFADRP C[C@@H]1C[C@@H](C[N@@H+]2CCN(Cc3ccccc3)CC[C@H]2C)CC[NH2+]1 ZINC000666636650 431309979 /nfs/dbraw/zinc/30/99/79/431309979.db2.gz CQTWWNVNJBTHPZ-GGPKGHCWSA-N 2 0 315.505 2.971 20 0 DFADRP CC(C)[C@@H](Cc1ccc(F)cc1)[NH2+]C[C@H](O)C[N@H+](C)C(C)C ZINC000660213580 431324160 /nfs/dbraw/zinc/32/41/60/431324160.db2.gz SROZNCITDOVIDS-ZWKOTPCHSA-N 2 0 310.457 2.684 20 0 DFADRP [NH3+]C[C@H]1CCC[C@@H]1[NH2+]Cc1cnn(Cc2ccccc2Cl)c1 ZINC000666744007 431343776 /nfs/dbraw/zinc/34/37/76/431343776.db2.gz PZIFUNIGJOLXNB-PBHICJAKSA-N 2 0 318.852 2.802 20 0 DFADRP CC[NH+](CC)[C@H](C(=O)NCCC1CC[NH2+]CC1)c1ccccc1 ZINC000653271814 431343953 /nfs/dbraw/zinc/34/39/53/431343953.db2.gz MDBUTKBVZVAVMV-SFHVURJKSA-N 2 0 317.477 2.575 20 0 DFADRP [NH3+]Cc1cccc(NC(=O)[C@H]2CCC[N@@H+]2Cc2ccccc2)c1 ZINC000646578893 431347144 /nfs/dbraw/zinc/34/71/44/431347144.db2.gz ITHKGXFBNVWVEK-GOSISDBHSA-N 2 0 309.413 2.748 20 0 DFADRP CN(C(=O)CC[NH2+]CCC[NH+]1CCCCC1)c1ccccc1 ZINC000663279946 431350641 /nfs/dbraw/zinc/35/06/41/431350641.db2.gz PJPYOEFAYFWRJP-UHFFFAOYSA-N 2 0 303.450 2.505 20 0 DFADRP CN1CC[NH+](CC2(C)CC[NH+](CCCC3CCC3)CC2)CC1 ZINC000660277799 431356322 /nfs/dbraw/zinc/35/63/22/431356322.db2.gz WJJAFLCHEGJWRP-UHFFFAOYSA-N 2 0 307.526 2.916 20 0 DFADRP CCOc1ccccc1C[N@@H+]1CCC[C@@H](N2CCOCC2)CC1 ZINC000656281526 431357051 /nfs/dbraw/zinc/35/70/51/431357051.db2.gz ZFSLODLRGPXIND-GOSISDBHSA-N 2 0 318.461 2.772 20 0 DFADRP Clc1ccc(-c2n[nH]cc2C[NH2+]CC[C@@H]2CC[NH2+]C2)cc1 ZINC000666787390 431359729 /nfs/dbraw/zinc/35/97/29/431359729.db2.gz SWCBVXRRNAGZCE-LBPRGKRZSA-N 2 0 304.825 2.819 20 0 DFADRP CC(C)[N@H+](C)C[C@H](O)C[NH+]1CCC[C@@]1(C)Cc1ccccc1 ZINC000660291148 431363625 /nfs/dbraw/zinc/36/36/25/431363625.db2.gz VLWGRKDKHFPANM-OALUTQOASA-N 2 0 304.478 2.785 20 0 DFADRP CN1Cc2ccccc2[C@@H]([NH2+]C2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000656515919 431415501 /nfs/dbraw/zinc/41/55/01/431415501.db2.gz LGQSIVNCRDWOJD-FQEVSTJZSA-N 2 0 322.456 2.827 20 0 DFADRP C[NH+]1CCC(Oc2ccc(C[NH2+][C@@H]3CCCC[C@H]3O)cc2)CC1 ZINC000656507887 431416180 /nfs/dbraw/zinc/41/61/80/431416180.db2.gz OJBSGRTYIWKRJY-RTBURBONSA-N 2 0 318.461 2.553 20 0 DFADRP COc1cc(C[NH2+][C@H]2CC23CC[NH2+]CC3)ccc1OC(C)C ZINC000666950771 431419258 /nfs/dbraw/zinc/41/92/58/431419258.db2.gz GBWQDSKQKKZQCV-KRWDZBQOSA-N 2 0 304.434 2.714 20 0 DFADRP FC(F)(F)Oc1ccccc1C[NH2+][C@H]1CC12CC[NH2+]CC2 ZINC000666950872 431419758 /nfs/dbraw/zinc/41/97/58/431419758.db2.gz OFQBYYITYGIZHY-ZDUSSCGKSA-N 2 0 300.324 2.817 20 0 DFADRP C[C@@H]1C[C@@H]([NH2+][C@H]2CC23CC[NH2+]CC3)CCN1Cc1ccccc1 ZINC000666953933 431422483 /nfs/dbraw/zinc/42/24/83/431422483.db2.gz LJKQHHVOFVBPNC-NEWSRXKRSA-N 3 0 313.489 2.771 20 0 DFADRP COc1ccc2nc(C[NH2+][C@@H]3CC34CC[NH2+]CC4)sc2c1 ZINC000666953606 431422853 /nfs/dbraw/zinc/42/28/53/431422853.db2.gz BWUDFVRHXFISFZ-CQSZACIVSA-N 2 0 303.431 2.537 20 0 DFADRP COc1ccc(-c2ccncc2)cc1C[NH2+][C@@H]1CC12CC[NH2+]CC2 ZINC000666954251 431422899 /nfs/dbraw/zinc/42/28/99/431422899.db2.gz SSHBSDQQLYBCAO-LJQANCHMSA-N 2 0 323.440 2.989 20 0 DFADRP C[C@@H]1C[C@@H]([NH2+][C@@H]2CC23CC[NH2+]CC3)CCN1Cc1ccccc1 ZINC000666953934 431422975 /nfs/dbraw/zinc/42/29/75/431422975.db2.gz LJKQHHVOFVBPNC-NZSAHSFTSA-N 3 0 313.489 2.771 20 0 DFADRP c1cnc(Oc2ccc(C[NH2+][C@H]3CC34CC[NH2+]CC4)cc2)cn1 ZINC000666951990 431423017 /nfs/dbraw/zinc/42/30/17/431423017.db2.gz BBZWVVYTLKBRBH-INIZCTEOSA-N 2 0 310.401 2.501 20 0 DFADRP CCOc1ccc(C[NH2+][C@H]2CC23CC[NH2+]CC3)cc1OCC ZINC000666952369 431423378 /nfs/dbraw/zinc/42/33/78/431423378.db2.gz TWDNCGSPNUIJRP-KRWDZBQOSA-N 2 0 304.434 2.716 20 0 DFADRP COc1ccc(-c2nc(CNC[C@@H]([NH3+])C3CC3)cs2)cc1 ZINC000666834178 431375448 /nfs/dbraw/zinc/37/54/48/431375448.db2.gz VWRXKTLNYFTNOU-OAHLLOKOSA-N 2 0 303.431 2.646 20 0 DFADRP CC(=O)Nc1ccc(C[NH2+]C[C@H]2CCC[N@H+](CC3CC3)C2)cc1 ZINC000663347225 431375633 /nfs/dbraw/zinc/37/56/33/431375633.db2.gz HMOVFVZBMVDRGA-GOSISDBHSA-N 2 0 315.461 2.857 20 0 DFADRP C[C@H](CC(=O)Nc1cccc(C(F)(F)F)c1)[NH2+]CCCC[NH3+] ZINC000666837670 431377923 /nfs/dbraw/zinc/37/79/23/431377923.db2.gz MHUSWFKJEVIRBA-LLVKDONJSA-N 2 0 317.355 2.751 20 0 DFADRP C[N@H+](CCC1CCC1)C[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000660334526 431385715 /nfs/dbraw/zinc/38/57/15/431385715.db2.gz NHEVEFXXBOLHTF-LJQANCHMSA-N 2 0 302.462 2.745 20 0 DFADRP OC1(C[NH2+]C[C@H]2C[N@H+](Cc3ccccc3)CC23CCC3)CCC1 ZINC000663368828 431390648 /nfs/dbraw/zinc/39/06/48/431390648.db2.gz OVYUXISNKKLEFQ-SFHVURJKSA-N 2 0 314.473 2.793 20 0 DFADRP CC[C@H](C)Oc1cc(C[NH2+][C@H]2CC[NH2+]C[C@@H]2C)ccc1OC ZINC000666879646 431392326 /nfs/dbraw/zinc/39/23/26/431392326.db2.gz UKRNQCDGNAYAPN-DZKIICNBSA-N 2 0 306.450 2.960 20 0 DFADRP CCO[C@@H]1COCC[C@@H]1[NH2+]C1CC[NH+]([C@H]2CCCC[C@H]2C)CC1 ZINC000354976040 279790103 /nfs/dbraw/zinc/79/01/03/279790103.db2.gz FESQVQDGSYBZNA-XGXHKWSGSA-N 2 0 324.509 2.813 20 0 DFADRP c1ccc2c(c1)CCO[C@@H]2C[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000656499616 431410253 /nfs/dbraw/zinc/41/02/53/431410253.db2.gz HOMIPMNOINEHBF-HXUWFJFHSA-N 2 0 323.440 2.954 20 0 DFADRP C[N@H+](C[C@@H]1CCn2ccnc2C1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000656504270 431411850 /nfs/dbraw/zinc/41/18/50/431411850.db2.gz RRYQCVKNIYEAMU-RTBURBONSA-N 2 0 324.472 2.652 20 0 DFADRP COc1ccc(CC[C@H](C)[NH2+][C@@H]2CC[NH2+]C3(CCC3)C2)cc1O ZINC000666993777 431439019 /nfs/dbraw/zinc/43/90/19/431439019.db2.gz IXXHSTRRXSKJPM-GOEBONIOSA-N 2 0 318.461 2.986 20 0 DFADRP COc1cccc(-c2n[nH]cc2C[NH2+]CC[C@@H]([NH3+])C(C)C)c1 ZINC000663498904 431445271 /nfs/dbraw/zinc/44/52/71/431445271.db2.gz SOTRHWRYFLPUPT-MRXNPFEDSA-N 2 0 302.422 2.548 20 0 DFADRP C[C@H](C[NH2+]CC12CC(C1)C[NH2+]2)c1cccc(Br)c1 ZINC000663498988 431445512 /nfs/dbraw/zinc/44/55/12/431445512.db2.gz SUWUMGOIJKYYNI-XIKARTHZSA-N 2 0 309.251 2.894 20 0 DFADRP COc1cccc(C[NH2+]CC[C@@H]([NH3+])C(C)C)c1OC(F)F ZINC000663497870 431445846 /nfs/dbraw/zinc/44/58/46/431445846.db2.gz HOVVELHQOKBHBN-GFCCVEGCSA-N 2 0 302.365 2.760 20 0 DFADRP CC(C)[C@H]([NH3+])CC[NH2+]Cc1c[nH]nc1-c1c(F)cccc1F ZINC000663498940 431445923 /nfs/dbraw/zinc/44/59/23/431445923.db2.gz VEBAIQGCDFGWDQ-CQSZACIVSA-N 2 0 308.376 2.818 20 0 DFADRP Cc1cccc(NC(=O)C[C@H](C)[NH2+]CC[C@@H]([NH3+])C(C)C)c1C ZINC000663502386 431445938 /nfs/dbraw/zinc/44/59/38/431445938.db2.gz HOYORYBVDLEIPQ-GOEBONIOSA-N 2 0 305.466 2.984 20 0 DFADRP C[C@@H](C[NH2+]CC12CC(C1)C[NH2+]2)c1cccc(Br)c1 ZINC000663498987 431446583 /nfs/dbraw/zinc/44/65/83/431446583.db2.gz SUWUMGOIJKYYNI-BZUNDVKYSA-N 2 0 309.251 2.894 20 0 DFADRP C[NH2+]CCCC(=O)N1CCC([NH2+][C@H]2CCCCC2(C)C)CC1 ZINC000663505159 431449003 /nfs/dbraw/zinc/44/90/03/431449003.db2.gz GDUJPZLHTKCREU-INIZCTEOSA-N 2 0 309.498 2.535 20 0 DFADRP C[C@H]([NH2+]Cc1cccc(NC(=O)C2CCC2)c1)[C@@H]1CCC[NH2+]C1 ZINC000667027791 431449687 /nfs/dbraw/zinc/44/96/87/431449687.db2.gz JMQJVGNGURGHMP-WMLDXEAASA-N 2 0 315.461 2.903 20 0 DFADRP Cc1ccccc1-c1noc(C[N@H+]2CC[C@@H](c3nccn3C)C2)n1 ZINC000653592071 431451520 /nfs/dbraw/zinc/45/15/20/431451520.db2.gz IETLOSQEOGNPSA-CQSZACIVSA-N 2 0 323.400 2.768 20 0 DFADRP C[N@H+](Cc1ccccc1)CC(C)(C)CN1CC[C@@H](F)[C@H]([NH3+])C1 ZINC000663507605 431451928 /nfs/dbraw/zinc/45/19/28/431451928.db2.gz ZNXLNMGDUSRBDB-IAGOWNOFSA-N 2 0 307.457 2.516 20 0 DFADRP COc1cccc(C[NH+]2CCC([C@@H]3OCCC[C@@H]3[NH3+])CC2)c1F ZINC000667042306 431456297 /nfs/dbraw/zinc/45/62/97/431456297.db2.gz ZXIUYGSVFZHAQS-YJBOKZPZSA-N 2 0 322.424 2.553 20 0 DFADRP CC[N@H+](C)C[C@H](O)CN[C@@H](c1ccc(F)cc1F)C(C)C ZINC000653607320 431457441 /nfs/dbraw/zinc/45/74/41/431457441.db2.gz ZHLACEQYKLBQPK-CZUORRHYSA-N 2 0 300.393 2.564 20 0 DFADRP CC[N@H+](C)C[C@@H](O)CN[C@H](c1ccc(F)cc1F)C(C)C ZINC000653607312 431457940 /nfs/dbraw/zinc/45/79/40/431457940.db2.gz ZHLACEQYKLBQPK-BBRMVZONSA-N 2 0 300.393 2.564 20 0 DFADRP C[C@@H]([NH2+]CCCc1cncn1C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000653614040 431461009 /nfs/dbraw/zinc/46/10/09/431461009.db2.gz LKKGGVJGPKWZSL-CVEARBPZSA-N 3 0 304.482 2.595 20 0 DFADRP [NH3+]C[C@H]1CCCc2ccc(-c3nc(C4([NH3+])CCCC4)no3)cc21 ZINC000656561425 431430166 /nfs/dbraw/zinc/43/01/66/431430166.db2.gz VFIFTNNYOXMGIJ-CQSZACIVSA-N 2 0 312.417 2.843 20 0 DFADRP CC1(C)[C@H]([NH2+]C[C@@H]2CCC[N@H+](CC3CC3)C2)[C@H]2CCCO[C@H]21 ZINC000663471821 431436413 /nfs/dbraw/zinc/43/64/13/431436413.db2.gz YNWYLAJMFXREBE-BSDSXHPESA-N 2 0 306.494 2.902 20 0 DFADRP CCN(C)C[C@H](O)C[N@@H+]1C[C@H](c2ccccc2)C2(CCC2)C1 ZINC000653762172 431516634 /nfs/dbraw/zinc/51/66/34/431516634.db2.gz YYAQTPDWZMGZSF-ZWKOTPCHSA-N 2 0 302.462 2.569 20 0 DFADRP Fc1cccn2cc(C[N@@H+]3CCC[C@H](C4CC[NH2+]CC4)C3)nc12 ZINC000656784328 431519184 /nfs/dbraw/zinc/51/91/84/431519184.db2.gz COMOAXYXSVUDEG-HNNXBMFYSA-N 2 0 316.424 2.685 20 0 DFADRP c1cc2c(cc1C[NH+]1CCC([C@@H]3CCC[NH2+]C3)CC1)OCCO2 ZINC000656784477 431519823 /nfs/dbraw/zinc/51/98/23/431519823.db2.gz DLBFEGQEHDHITJ-QGZVFWFLSA-N 2 0 316.445 2.669 20 0 DFADRP [NH3+]CCC[C@H]([NH2+]Cc1ccc2c(c1)C[NH2+]CC2)c1ccccc1 ZINC000656786613 431521967 /nfs/dbraw/zinc/52/19/67/431521967.db2.gz OHUDZXYTNFUYAY-FQEVSTJZSA-N 3 0 309.457 2.902 20 0 DFADRP Cc1nc2ccccn2c1C[N@@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000656785921 431522486 /nfs/dbraw/zinc/52/24/86/431522486.db2.gz NGBOXLXFKXKYJN-QGZVFWFLSA-N 2 0 312.461 2.854 20 0 DFADRP c1cc(C[NH+]2CCC([C@@H]3CCC[NH2+]C3)CC2)c2c(c1)OCCO2 ZINC000656786494 431523464 /nfs/dbraw/zinc/52/34/64/431523464.db2.gz TUKFYSSHEQFTCN-MRXNPFEDSA-N 2 0 316.445 2.669 20 0 DFADRP Clc1ccccc1N1CC[C@H](C[NH2+]C[C@H]2CCC[NH2+]C2)C1 ZINC000656787882 431523811 /nfs/dbraw/zinc/52/38/11/431523811.db2.gz YCMBFABKTCGLOG-LSDHHAIUSA-N 2 0 307.869 2.756 20 0 DFADRP CCOc1ccc(C[NH+]2CCC([C@H]3CCC[NH2+]C3)CC2)nc1 ZINC000656787269 431523901 /nfs/dbraw/zinc/52/39/01/431523901.db2.gz WDCIHOKHWYXULZ-INIZCTEOSA-N 2 0 303.450 2.692 20 0 DFADRP CC[C@H]1C[C@H]([NH2+]C[C@@H]2C[N@H+](C)C[C@H]2c2ccccc2)CCO1 ZINC000647249143 431527965 /nfs/dbraw/zinc/52/79/65/431527965.db2.gz DRBUQBJMUPLIAL-YRXWBPOGSA-N 2 0 302.462 2.879 20 0 DFADRP Cc1nc2ccccc2n1CCCCC[N@H+]1CC[C@@H](O)[C@H]1C ZINC000650190989 431481709 /nfs/dbraw/zinc/48/17/09/431481709.db2.gz PGYLECHWABMRCG-RDTXWAMCSA-N 2 0 301.434 2.970 20 0 DFADRP Cc1ccc(-c2nn(C)cc2C[NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)o1 ZINC000647186454 431502832 /nfs/dbraw/zinc/50/28/32/431502832.db2.gz MWJQAYGBRINSQV-IUODEOHRSA-N 2 0 302.422 2.561 20 0 DFADRP C[C@H]([NH2+]C[C@@H]1C[N@H+](C)C[C@H]1c1ccccc1)[C@@H]1CCCOC1 ZINC000647344655 431559932 /nfs/dbraw/zinc/55/99/32/431559932.db2.gz WIKQACFJHMQCOZ-AITUJVMLSA-N 2 0 302.462 2.737 20 0 DFADRP CC[NH+]1CCN([C@H](C)C[NH2+][C@H](CC(C)C)c2ccncc2)CC1 ZINC000647282689 431537140 /nfs/dbraw/zinc/53/71/40/431537140.db2.gz MHXCVKFAFAGRIR-IEBWSBKVSA-N 2 0 318.509 2.784 20 0 DFADRP CC(C)C[C@@H]([NH2+]CCN1CCC([NH+](C)C)CC1)c1ccncc1 ZINC000647291555 431538570 /nfs/dbraw/zinc/53/85/70/431538570.db2.gz RZIOKKLHUPYLLR-LJQANCHMSA-N 2 0 318.509 2.784 20 0 DFADRP C[N@@H+]1CCC[C@@H]1CCN1CCC([NH2+]Cc2ccccc2)CC1 ZINC000660674559 431545187 /nfs/dbraw/zinc/54/51/87/431545187.db2.gz ANVNSYDBCUIBMM-LJQANCHMSA-N 2 0 301.478 2.725 20 0 DFADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]C[C@@H]1CSc2ccccc2O1 ZINC000647314073 431547579 /nfs/dbraw/zinc/54/75/79/431547579.db2.gz MIPRQUQGLSCNGW-TUVASFSCSA-N 2 0 306.475 2.858 20 0 DFADRP CC(C)[C@H](C(=O)NC[C@@H](C)[NH+]1CCC(C)CC1)[NH+]1CCCCC1 ZINC000354783296 280172169 /nfs/dbraw/zinc/17/21/69/280172169.db2.gz FWTDBABPBUPPFE-QZTJIDSGSA-N 2 0 323.525 2.734 20 0 DFADRP CC[C@@H]([NH2+]CCCN1CCC[N@H+](C)CC1)c1ccc(OC)cc1 ZINC000128367801 280186967 /nfs/dbraw/zinc/18/69/67/280186967.db2.gz GQUQHCCBQWIRSL-LJQANCHMSA-N 2 0 319.493 2.764 20 0 DFADRP CC(C)[C@H](CCc1ccccc1)[NH2+]CCCN1CC[NH+](C)CC1 ZINC000162555417 280234339 /nfs/dbraw/zinc/23/43/39/280234339.db2.gz MAIIRMWQVKMIBS-FQEVSTJZSA-N 2 0 317.521 2.871 20 0 DFADRP c1cnn(-c2cccc(C[N@@H+]3CCC[C@H]([C@@H]4CCC[NH2+]4)C3)c2)c1 ZINC000647480231 431602399 /nfs/dbraw/zinc/60/23/99/431602399.db2.gz HICRTRFWDQYILF-HKUYNNGSSA-N 2 0 310.445 2.836 20 0 DFADRP CN1CCCC[C@@H]1C(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C ZINC000653937876 431592109 /nfs/dbraw/zinc/59/21/09/431592109.db2.gz JNYBVHHIISSLSJ-DLBZAZTESA-N 2 0 301.434 2.658 20 0 DFADRP COc1ccc(C[N@@H+]2CCC[C@H]([C@H]3C[C@@H]([NH3+])CCO3)C2)cc1C ZINC000650705225 431652289 /nfs/dbraw/zinc/65/22/89/431652289.db2.gz ABFMFKBZSVBVAE-JENIJYKNSA-N 2 0 318.461 2.722 20 0 DFADRP Cc1cc(F)ccc1C[N@@H+]1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000650705917 431652860 /nfs/dbraw/zinc/65/28/60/431652860.db2.gz AFCZMQXJBMPISU-SZMVWBNQSA-N 2 0 306.425 2.852 20 0 DFADRP Cc1cc(C[N@@H+]2CCC[C@H]([C@@H]3C[C@H]([NH3+])CCO3)C2)ccc1F ZINC000650707081 431653225 /nfs/dbraw/zinc/65/32/25/431653225.db2.gz YDBQHQPLNPAWRU-JZXOWHBKSA-N 2 0 306.425 2.852 20 0 DFADRP CC[NH+](CC)Cc1ccccc1CNCc1cc2n(n1)CCC2 ZINC000657297983 431656437 /nfs/dbraw/zinc/65/64/37/431656437.db2.gz RRPYDPBHASWGHC-UHFFFAOYSA-N 2 0 312.461 2.961 20 0 DFADRP c1cc(O[C@H]2CCOC2)ccc1C[NH2+]CCC[NH+]1CCCCC1 ZINC000657295851 431656914 /nfs/dbraw/zinc/65/69/14/431656914.db2.gz LETGYWNTXSUXTC-IBGZPJMESA-N 2 0 318.461 2.820 20 0 DFADRP C[C@H]1CCC[N@H+](Cc2cnn(-c3ccc(F)cc3)c2)[C@@H]1CC[NH3+] ZINC000650711151 431657124 /nfs/dbraw/zinc/65/71/24/431657124.db2.gz KASFSVDZVASFQO-KBXCAEBGSA-N 2 0 316.424 2.961 20 0 DFADRP CC(C)c1cnc(C[N@@H+]2CCC[C@H]([C@H]3C[C@H]([NH3+])CCO3)C2)s1 ZINC000650708433 431657220 /nfs/dbraw/zinc/65/72/20/431657220.db2.gz ZLJPRUSDMOOZSK-RRFJBIMHSA-N 2 0 323.506 2.985 20 0 DFADRP Cc1ccc(F)cc1C[N@@H+]1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000650708376 431658136 /nfs/dbraw/zinc/65/81/36/431658136.db2.gz YVLJAXUVBKGGDA-JCGIZDLHSA-N 2 0 306.425 2.852 20 0 DFADRP COc1cc(Br)ccc1C[NH2+]CCC1(C[NH3+])CC1 ZINC000650713134 431659601 /nfs/dbraw/zinc/65/96/01/431659601.db2.gz GZJATGCAGAXSIX-UHFFFAOYSA-N 2 0 313.239 2.676 20 0 DFADRP Cc1nn(-c2cccc(F)c2)cc1C[NH2+]CCC1(C[NH3+])CC1 ZINC000650714235 431660018 /nfs/dbraw/zinc/66/00/18/431660018.db2.gz WPXUYNGHJDADRL-UHFFFAOYSA-N 2 0 302.397 2.538 20 0 DFADRP CCO[C@@H]1CN(Cc2c(Cl)oc3ccccc32)C[C@H]1C[NH3+] ZINC000650714615 431660165 /nfs/dbraw/zinc/66/01/65/431660165.db2.gz SEIHOSQLSBSEEX-IAQYHMDHSA-N 2 0 308.809 2.882 20 0 DFADRP CC(C)[N@H+](C)C[C@@H](O)C[NH+]1C[C@@H](c2ccccc2)C2(CCC2)C1 ZINC000660805245 431605222 /nfs/dbraw/zinc/60/52/22/431605222.db2.gz YWOGBLFFRKHGAF-MOPGFXCFSA-N 2 0 316.489 2.957 20 0 DFADRP CC[C@@H]1C[N@H+](Cc2ccc(-c3cnn(C)c3)s2)CC[C@H]1[NH3+] ZINC000647497851 431605692 /nfs/dbraw/zinc/60/56/92/431605692.db2.gz YECWHQLCMVGTCN-IUODEOHRSA-N 2 0 304.463 2.708 20 0 DFADRP CC[C@H]1C[N@H+](Cc2c[nH]nc2-c2ccc(OC)cc2)CC[C@H]1[NH3+] ZINC000647498190 431606008 /nfs/dbraw/zinc/60/60/08/431606008.db2.gz CGSDJXCXXIPJTD-SUMWQHHRSA-N 2 0 314.433 2.645 20 0 DFADRP Cc1ccc(-c2nn(C)cc2C[N@H+]2CCC[C@H]([C@@H](C)[NH3+])C2)o1 ZINC000647496492 431606230 /nfs/dbraw/zinc/60/62/30/431606230.db2.gz LFVDFNOTKWRRAL-KGLIPLIRSA-N 2 0 302.422 2.548 20 0 DFADRP CC[C@@H]1C[N@H+](Cc2ccc(C)cc2-c2cnn(C)c2)CC[C@@H]1[NH3+] ZINC000647497748 431606896 /nfs/dbraw/zinc/60/68/96/431606896.db2.gz TWIRIQFQIJKDHD-BEFAXECRSA-N 2 0 312.461 2.955 20 0 DFADRP [NH3+]Cc1ccc(C[NH2+]CCCc2ccc3c(c2)CCO3)c(F)c1 ZINC000650717184 431660800 /nfs/dbraw/zinc/66/08/00/431660800.db2.gz UQWCMHKDMSMBTG-UHFFFAOYSA-N 2 0 314.404 2.942 20 0 DFADRP CCc1noc(C2CCC([NH2+]CC[C@H]3CCC[N@H+](C)C3)CC2)n1 ZINC000657182651 431619784 /nfs/dbraw/zinc/61/97/84/431619784.db2.gz GICMYPBWOKZTEW-QQFBHYJXSA-N 2 0 320.481 2.980 20 0 DFADRP CC[NH+]1CCC(N2CCC[N@H+](C[C@@H]3C[C@H]4C[C@H]4C3)CC2)CC1 ZINC000660835702 431620977 /nfs/dbraw/zinc/62/09/77/431620977.db2.gz YAOUPPBARNJWTN-BCDXTJNWSA-N 2 0 305.510 2.525 20 0 DFADRP CC[NH+]1CCC(N2CCC[N@H+](C[C@@H]3CC[C@H]4C[C@H]4C3)CC2)CC1 ZINC000660833961 431621063 /nfs/dbraw/zinc/62/10/63/431621063.db2.gz JTEBZUHOXFQIEW-CEXWTWQISA-N 2 0 319.537 2.915 20 0 DFADRP Cn1cnc2cc(C[N@@H+]3CCC[C@H]([C@H]4CCC[NH2+]C4)C3)ccc21 ZINC000647542719 431621437 /nfs/dbraw/zinc/62/14/37/431621437.db2.gz ANVBJMAMMXNFQR-IRXDYDNUSA-N 2 0 312.461 2.785 20 0 DFADRP Cc1cn2c(C[NH2+]CC[C@H]3CCC[N@@H+](C)C3)c(C)nc2s1 ZINC000657189392 431622397 /nfs/dbraw/zinc/62/23/97/431622397.db2.gz PPIBCPOAGHPFBL-CQSZACIVSA-N 2 0 306.479 2.834 20 0 DFADRP Cn1cnc2cc(C[N@@H+]3CCC[C@@H]([C@H]4CCC[NH2+]C4)C3)ccc21 ZINC000647542717 431622833 /nfs/dbraw/zinc/62/28/33/431622833.db2.gz ANVBJMAMMXNFQR-DLBZAZTESA-N 2 0 312.461 2.785 20 0 DFADRP CCn1nc(C)c(C[N@@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)c1C ZINC000647542987 431624109 /nfs/dbraw/zinc/62/41/09/431624109.db2.gz FWAQWLFMEYJMTG-IRXDYDNUSA-N 2 0 304.482 2.731 20 0 DFADRP CCc1nn(C)c(CC)c1C[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647543797 431624534 /nfs/dbraw/zinc/62/45/34/431624534.db2.gz SFEOHLBTTFVLSD-CVEARBPZSA-N 2 0 318.509 2.757 20 0 DFADRP c1cc2c(cc1C[N@@H+]1CCC[C@H]([C@H]3CCC[NH2+]C3)C1)OCCO2 ZINC000647543499 431625380 /nfs/dbraw/zinc/62/53/80/431625380.db2.gz OKLIQTOAZYFURT-IRXDYDNUSA-N 2 0 316.445 2.669 20 0 DFADRP COc1ccc(C[N@@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)c(OC)c1 ZINC000647543432 431625441 /nfs/dbraw/zinc/62/54/41/431625441.db2.gz NHBPVISWIHUEEV-JKSUJKDBSA-N 2 0 318.461 2.915 20 0 DFADRP CCOc1ccc(C[N@@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)nc1 ZINC000647543422 431625528 /nfs/dbraw/zinc/62/55/28/431625528.db2.gz NDZHTBXXEZKQLQ-HOTGVXAUSA-N 2 0 303.450 2.692 20 0 DFADRP COc1cc(C[N@@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)cc(OC)c1 ZINC000647544271 431626072 /nfs/dbraw/zinc/62/60/72/431626072.db2.gz YWOOGFMGRBLVND-IAGOWNOFSA-N 2 0 318.461 2.915 20 0 DFADRP c1ccc2c(c1)OCC[C@@H]2C[N@@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000647545709 431626279 /nfs/dbraw/zinc/62/62/79/431626279.db2.gz IOCITPNHYNKYEY-BRWVUGGUSA-N 2 0 300.446 2.874 20 0 DFADRP CCOc1cccc(C[N@@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)n1 ZINC000647543957 431626382 /nfs/dbraw/zinc/62/63/82/431626382.db2.gz UVRMOJLXIYCFTA-CVEARBPZSA-N 2 0 303.450 2.692 20 0 DFADRP COc1ccc(CCC[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)cc1OC ZINC000647550360 431627159 /nfs/dbraw/zinc/62/71/59/431627159.db2.gz NBDFZRVQGHVSKL-BRWVUGGUSA-N 2 0 318.461 2.614 20 0 DFADRP CC(C)CC[NH+]1CCC(C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000647550497 431627658 /nfs/dbraw/zinc/62/76/58/431627658.db2.gz UKJYYWYBZZZDJX-IPMKNSEASA-N 3 0 307.526 2.722 20 0 DFADRP C[C@@H]([NH3+])C[C@H](C)[NH2+]Cc1cnn(Cc2ccccc2Cl)c1 ZINC000647552562 431627963 /nfs/dbraw/zinc/62/79/63/431627963.db2.gz HOCSGPBABAIACE-OLZOCXBDSA-N 2 0 306.841 2.800 20 0 DFADRP Fc1cccc(F)c1N1CC[C@H]([NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)C1 ZINC000647549925 431628978 /nfs/dbraw/zinc/62/89/78/431628978.db2.gz XZBSHDFOECKNIU-YJNKXOJESA-N 2 0 321.415 2.521 20 0 DFADRP CCOc1ccc(C[NH2+]CCCN2CC[NH+](CC)CC2)c(C)c1 ZINC000657307822 431664519 /nfs/dbraw/zinc/66/45/19/431664519.db2.gz JDBVEWLNKUQPEJ-UHFFFAOYSA-N 2 0 319.493 2.511 20 0 DFADRP C[NH2+]Cc1ccccc1C[NH2+][C@H]1CCN[C@@H](c2ccccc2)C1 ZINC000650720054 431665131 /nfs/dbraw/zinc/66/51/31/431665131.db2.gz DABHGECPOXZWPR-VQTJNVASSA-N 2 0 309.457 2.989 20 0 DFADRP CC(C)[N@H+](C)Cc1ccccc1C[NH2+]Cc1cnc2n1CCC2 ZINC000657308262 431665650 /nfs/dbraw/zinc/66/56/50/431665650.db2.gz PNEXVTBXGXSKNY-UHFFFAOYSA-N 2 0 312.461 2.959 20 0 DFADRP Cc1c([C@H](C)[NH2+]CCC2(C[NH3+])CC2)nnn1-c1ccc(C)cc1 ZINC000650744570 431674737 /nfs/dbraw/zinc/67/47/37/431674737.db2.gz QNSPXTGVHOCZOH-AWEZNQCLSA-N 2 0 313.449 2.664 20 0 DFADRP COc1ccc(C[C@@H](C)[NH2+]CCC2(C[NH3+])CC2)c(C)c1OC ZINC000650746363 431677326 /nfs/dbraw/zinc/67/73/26/431677326.db2.gz AKDXJFGSDAQGAL-CYBMUJFWSA-N 2 0 306.450 2.662 20 0 DFADRP CCC[N@@H+]1CC[C@H](C[NH2+]Cc2ccc(O[C@@H]3CCOC3)cc2)C1 ZINC000657325631 431677774 /nfs/dbraw/zinc/67/77/74/431677774.db2.gz ODZRIIRJHSCSNH-IEBWSBKVSA-N 2 0 318.461 2.676 20 0 DFADRP C[C@@H]([NH2+]CCC1(C[NH3+])CC1)c1ncc(Br)cc1F ZINC000650746648 431678244 /nfs/dbraw/zinc/67/82/44/431678244.db2.gz HNSZXVCRZWEJOE-SECBINFHSA-N 2 0 316.218 2.763 20 0 DFADRP C[NH2+]Cc1ccccc1C[NH2+]C1CCN(Cc2ccccn2)CC1 ZINC000650758539 431681658 /nfs/dbraw/zinc/68/16/58/431681658.db2.gz RWUQQOOFDYYALZ-UHFFFAOYSA-N 2 0 324.472 2.555 20 0 DFADRP C[NH2+]Cc1ccccc1C[NH2+][C@@H]1COc2ccc(OC)cc2C1 ZINC000650756142 431682842 /nfs/dbraw/zinc/68/28/42/431682842.db2.gz VJTMJOLVHLTIBQ-KRWDZBQOSA-N 2 0 312.413 2.508 20 0 DFADRP CN(C)[C@H](C[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1)c1c(F)cccc1F ZINC000647786409 431684255 /nfs/dbraw/zinc/68/42/55/431684255.db2.gz OJHPXRKHXJXWFA-ZOMKSWQUSA-N 2 0 323.431 2.545 20 0 DFADRP C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)C1 ZINC000647785831 431684595 /nfs/dbraw/zinc/68/45/95/431684595.db2.gz FOLVOBORKSCCOO-MDMSPXHWSA-N 3 0 307.526 2.721 20 0 DFADRP c1ccc(OCC2CC2)c(C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000647785952 431684611 /nfs/dbraw/zinc/68/46/11/431684611.db2.gz GVFKYRHEGRYDTR-BPQIPLTHSA-N 2 0 300.446 2.953 20 0 DFADRP Cc1nc2ccccc2n1CCC[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000647785618 431684811 /nfs/dbraw/zinc/68/48/11/431684811.db2.gz CGDDFIQVJSGCGT-IXDOHACOSA-N 2 0 312.461 2.713 20 0 DFADRP COc1ccccc1C(C)(C)C[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000647785734 431684946 /nfs/dbraw/zinc/68/49/46/431684946.db2.gz DSCWQAHPOPXGLA-ARFHVFGLSA-N 2 0 302.462 2.951 20 0 DFADRP C[C@H]1CC[NH2+]CC[C@H]1[NH2+]CCc1ccc2c(c1)OC(F)(F)O2 ZINC000650761434 431684928 /nfs/dbraw/zinc/68/49/28/431684928.db2.gz ZTXWNOSVUDOWHZ-WCQYABFASA-N 2 0 312.360 2.528 20 0 DFADRP COc1ccc2c(c1)[C@@H]([NH2+]CCC1CC[NH2+]CC1)CCCO2 ZINC000650762641 431684958 /nfs/dbraw/zinc/68/49/58/431684958.db2.gz GWOQFNYABRHKFR-KRWDZBQOSA-N 2 0 304.434 2.888 20 0 DFADRP c1csc([C@H](C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)N2CCCC2)c1 ZINC000647786083 431685414 /nfs/dbraw/zinc/68/54/14/431685414.db2.gz HSEOIRLRDBFJDL-NXOAAHMSSA-N 2 0 319.518 2.863 20 0 DFADRP Cc1nn(C)c2sc([C@@H](C)[NH2+]CCC3CC[NH2+]CC3)cc12 ZINC000650761800 431685415 /nfs/dbraw/zinc/68/54/15/431685415.db2.gz KRJZZQUTQOGUFY-GFCCVEGCSA-N 2 0 306.479 2.984 20 0 DFADRP CN(C)[C@H](C[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)c1c(F)cccc1F ZINC000647786407 431685592 /nfs/dbraw/zinc/68/55/92/431685592.db2.gz OJHPXRKHXJXWFA-UMPJEAMMSA-N 2 0 323.431 2.545 20 0 DFADRP C[C@H](c1ccccc1)N1CC[C@H]([NH2+]CCC2CC[NH2+]CC2)C1 ZINC000650764218 431685670 /nfs/dbraw/zinc/68/56/70/431685670.db2.gz TYEDNANAFNPLCZ-APWZRJJASA-N 2 0 301.478 2.801 20 0 DFADRP c1cc(N2CCCCC2)ncc1C[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000647790416 431686335 /nfs/dbraw/zinc/68/63/35/431686335.db2.gz YGIDRMQSPNZCHW-KZNAEPCWSA-N 2 0 314.477 2.550 20 0 DFADRP CC(C)C(=O)Nc1ccc(C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC000647788949 431686409 /nfs/dbraw/zinc/68/64/09/431686409.db2.gz VTVQWGXGVBUCMX-XYJFISCASA-N 2 0 315.461 2.759 20 0 DFADRP CCN(CC[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1)c1ccccc1C ZINC000647789940 431687361 /nfs/dbraw/zinc/68/73/61/431687361.db2.gz ODSMVDMKRGBVFF-KZNAEPCWSA-N 2 0 301.478 2.799 20 0 DFADRP Fc1ccc(N2CC[C@H](C[NH2+][C@@H]3CC[C@H]4C[NH2+]C[C@H]4C3)C2)cc1 ZINC000647790255 431687449 /nfs/dbraw/zinc/68/74/49/431687449.db2.gz VDBIOZOLUJOMPH-KYHPRHEASA-N 2 0 317.452 2.630 20 0 DFADRP c1ccc([C@H](CN2CCCC2)[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC000647789082 431687842 /nfs/dbraw/zinc/68/78/42/431687842.db2.gz XZSFQNIVTSITON-HAGHYFMRSA-N 2 0 313.489 2.801 20 0 DFADRP Cc1ccc(NC(=O)C[C@H](C)[NH2+]CCC2CC[NH2+]CC2)c(C)c1 ZINC000650764490 431688365 /nfs/dbraw/zinc/68/83/65/431688365.db2.gz ZWSKHVGRCGDOGU-INIZCTEOSA-N 2 0 317.477 3.000 20 0 DFADRP c1ccc([C@@H]2C[C@H]([NH2+][C@@H]3CC[C@H]4C[NH2+]C[C@@H]4C3)CCO2)cc1 ZINC000647795720 431689063 /nfs/dbraw/zinc/68/90/63/431689063.db2.gz USNUIXIPLBGLBC-QTMHVTGLSA-N 2 0 300.446 2.884 20 0 DFADRP CC(C)(C)c1nc(CC[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)cs1 ZINC000647793857 431689226 /nfs/dbraw/zinc/68/92/26/431689226.db2.gz KBDJVQSAYDMWOZ-HZSPNIEDSA-N 2 0 307.507 2.961 20 0 DFADRP Clc1ccc(COCC[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000647794278 431689515 /nfs/dbraw/zinc/68/95/15/431689515.db2.gz WYAMOGWHSLLDKA-ZMSDIMECSA-N 2 0 308.853 2.834 20 0 DFADRP C[N@H+](CCCC1CC[NH2+]CC1)C[C@@H]1COc2ccccc2O1 ZINC000647872328 431713398 /nfs/dbraw/zinc/71/33/98/431713398.db2.gz WNYRUPWWGBKWNU-MRXNPFEDSA-N 2 0 304.434 2.538 20 0 DFADRP c1cc(OC2CCCC2)ncc1C[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000647793206 431690072 /nfs/dbraw/zinc/69/00/72/431690072.db2.gz PKCVEIQGGWKRBO-IXDOHACOSA-N 2 0 315.461 2.881 20 0 DFADRP C[C@H]([NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000647793590 431690246 /nfs/dbraw/zinc/69/02/46/431690246.db2.gz BCAZZKCTDXBIPA-IGKNDFSCSA-N 3 0 305.510 2.617 20 0 DFADRP CCOc1ccc2c(c1)[C@H]([NH2+][C@@H]1CC[C@@H]3C[NH2+]C[C@@H]3C1)CCO2 ZINC000647795058 431690330 /nfs/dbraw/zinc/69/03/30/431690330.db2.gz IQJVGIRONRCNLV-BASYENTBSA-N 2 0 316.445 2.887 20 0 DFADRP CCOc1ccc(C[NH2+]C2CC[NH+](CCCOC)CC2)c(C)c1 ZINC000657343171 431690570 /nfs/dbraw/zinc/69/05/70/431690570.db2.gz KPEVXLAJJLYSAT-UHFFFAOYSA-N 2 0 320.477 2.984 20 0 DFADRP C[C@@H](C[NH2+]C1CCC(C2CCC2)CC1)CN1CC[NH+](C)CC1 ZINC000657347410 431691346 /nfs/dbraw/zinc/69/13/46/431691346.db2.gz ZOGRMEQRCNGOTP-IVMQYODDSA-N 2 0 307.526 2.818 20 0 DFADRP Fc1ccc(OCC[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)cc1Cl ZINC000647797814 431691521 /nfs/dbraw/zinc/69/15/21/431691521.db2.gz CTKCTQBGXXFSND-FRRDWIJNSA-N 2 0 312.816 2.836 20 0 DFADRP Fc1cc(C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)ccc1OC(F)F ZINC000647798943 431692042 /nfs/dbraw/zinc/69/20/42/431692042.db2.gz ZIQMBLMBKPFVOH-JHJVBQTASA-N 2 0 314.351 2.905 20 0 DFADRP C[C@H]([NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)c1nccn1-c1ccccc1 ZINC000647796783 431692057 /nfs/dbraw/zinc/69/20/57/431692057.db2.gz NSMIJWSJWGUZAX-VVLHAWIVSA-N 2 0 310.445 2.911 20 0 DFADRP CO[C@](C)(C[N@@H+]1CC[C@H](n2cnc3c2CCCC3)C1)C1CC1 ZINC000647912544 431727133 /nfs/dbraw/zinc/72/71/33/431727133.db2.gz MSCDZXPURPPAMN-MAUKXSAKSA-N 2 0 303.450 2.824 20 0 DFADRP CC[N@@H+]1CC[C@@H](CNCc2ccc3ccc(F)c(F)c3n2)C1 ZINC000647925136 431731852 /nfs/dbraw/zinc/73/18/52/431731852.db2.gz ONIHOACNSRQAOD-LBPRGKRZSA-N 2 0 305.372 2.944 20 0 DFADRP CC(C)n1ccnc1C[NH2+]CC1CCN(c2cc[nH+]cc2)CC1 ZINC000657426008 431745704 /nfs/dbraw/zinc/74/57/04/431745704.db2.gz UVXCCVOFMPMZPS-UHFFFAOYSA-N 2 0 313.449 2.865 20 0 DFADRP CC[NH+](CC)CCOCC[NH2+]Cc1cc2ccc(C)cc2[nH]1 ZINC000657432394 431746752 /nfs/dbraw/zinc/74/67/52/431746752.db2.gz GGHFNKPYJDCVLZ-UHFFFAOYSA-N 2 0 303.450 2.924 20 0 DFADRP Cc1cnc([C@@H](C)C[NH2+]Cc2ccnn2-c2cc[nH+]cc2)s1 ZINC000657434092 431749768 /nfs/dbraw/zinc/74/97/68/431749768.db2.gz FSAQXZHJGCNNQP-LBPRGKRZSA-N 2 0 313.430 2.926 20 0 DFADRP COCc1csc(C[NH2+][C@@H]2CCO[C@@H](c3cncn3C)C2)c1 ZINC000657444183 431756941 /nfs/dbraw/zinc/75/69/41/431756941.db2.gz UCSXHUCFDRPMMO-CZUORRHYSA-N 2 0 321.446 2.638 20 0 DFADRP FC(F)(F)COCCC[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647977998 431761065 /nfs/dbraw/zinc/76/10/65/431761065.db2.gz KTYBLRFRNZYZGS-KBPBESRZSA-N 2 0 308.388 2.667 20 0 DFADRP c1coc(-c2noc(C[N@@H+]3CCC[C@@H]([C@H]4CCC[NH2+]C4)C3)n2)c1 ZINC000647975838 431761460 /nfs/dbraw/zinc/76/14/60/431761460.db2.gz GPCQAMIODCIOKO-UONOGXRCSA-N 2 0 316.405 2.541 20 0 DFADRP C[C@H](c1nc(C2CC2)no1)[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647975504 431761798 /nfs/dbraw/zinc/76/17/98/431761798.db2.gz BEEIFODCEWNYPY-VHDGCEQUSA-N 2 0 304.438 2.720 20 0 DFADRP COc1ccc(OCC[N@@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)cc1 ZINC000647976336 431762590 /nfs/dbraw/zinc/76/25/90/431762590.db2.gz NGNGIPLWKIOWAZ-SJORKVTESA-N 2 0 318.461 2.786 20 0 DFADRP C[C@H](C(=O)Nc1ccccc1)[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647976913 431762962 /nfs/dbraw/zinc/76/29/62/431762962.db2.gz VZVMBICPMBJRRL-ZACQAIPSSA-N 2 0 315.461 2.725 20 0 DFADRP CC(C)C[C@H](C)N(C)C(=O)C[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647978283 431763079 /nfs/dbraw/zinc/76/30/79/431763079.db2.gz PIBJBXGVHOKFAM-RCCFBDPRSA-N 2 0 323.525 2.591 20 0 DFADRP CCCCc1noc(C[N@@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)n1 ZINC000647976883 431763458 /nfs/dbraw/zinc/76/34/58/431763458.db2.gz VSCOMDOLDAWVEC-GJZGRUSLSA-N 2 0 306.454 2.624 20 0 DFADRP COc1ccc(C[N@H+](C)CCCC2CC[NH2+]CC2)cc1OC ZINC000647870923 431714440 /nfs/dbraw/zinc/71/44/40/431714440.db2.gz NNTYIHLNJZTAAJ-UHFFFAOYSA-N 2 0 306.450 2.915 20 0 DFADRP CN(C)[C@@H](C[NH2+]Cc1cnc2n1CCC2)c1ccc(Cl)cc1 ZINC000657381863 431714994 /nfs/dbraw/zinc/71/49/94/431714994.db2.gz CQQFGLIDJGSIPL-INIZCTEOSA-N 2 0 318.852 2.875 20 0 DFADRP CO[C@]1(C)C[C@H]([NH2+]Cc2ccnn2-c2cc[nH+]cc2)C1(C)C ZINC000657383868 431717658 /nfs/dbraw/zinc/71/76/58/431717658.db2.gz LQKHMNGOPGQOAN-DOTOQJQBSA-N 2 0 300.406 2.561 20 0 DFADRP CCO[C@@H](CC[NH+](C)C)C[NH2+]Cc1cc2c(cccc2C)[nH]1 ZINC000657388723 431720889 /nfs/dbraw/zinc/72/08/89/431720889.db2.gz DGYKPRQTQUGKJI-INIZCTEOSA-N 2 0 303.450 2.923 20 0 DFADRP O=C(CC[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1)Nc1ccc(F)cc1 ZINC000647900939 431723599 /nfs/dbraw/zinc/72/35/99/431723599.db2.gz HVJJYBMWPINBTJ-RHSMWYFYSA-N 2 0 319.424 2.618 20 0 DFADRP CCc1cccc2cc(CNC3(CCO)CC[NH+](C)CC3)oc21 ZINC000657499665 431788008 /nfs/dbraw/zinc/78/80/08/431788008.db2.gz GWNNFJVLTMKGIJ-UHFFFAOYSA-N 2 0 316.445 2.932 20 0 DFADRP CC(C)n1cc([C@@H]2OCC[C@H]2[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)cn1 ZINC000657509455 431794717 /nfs/dbraw/zinc/79/47/17/431794717.db2.gz GYJUTOYSFGKWRC-FJIDUMEYSA-N 2 0 318.465 2.510 20 0 DFADRP C[NH+]1CCC2(CC1)C[N@H+](CC(C)(C)c1ccccc1)CCO2 ZINC000648072029 431808016 /nfs/dbraw/zinc/80/80/16/431808016.db2.gz HTEUWPZCJOUHOG-UHFFFAOYSA-N 2 0 302.462 2.761 20 0 DFADRP CC[NH+](CC)Cc1ccc(C(=O)NCCC[NH+]2CCCCC2)o1 ZINC000648081414 431810813 /nfs/dbraw/zinc/81/08/13/431810813.db2.gz INRWVXYBCVRSEH-UHFFFAOYSA-N 2 0 321.465 2.727 20 0 DFADRP C[C@@H](CN(C)CCC[NH+](C)C)[NH2+]CC(C)(C)c1ccccc1 ZINC000657573053 431814357 /nfs/dbraw/zinc/81/43/57/431814357.db2.gz IJNJYNMTEUNSLZ-KRWDZBQOSA-N 2 0 305.510 2.826 20 0 DFADRP C[C@@H](CN(C)CCC[NH+](C)C)[NH2+]Cc1ccc(F)cc1Cl ZINC000657573372 431815209 /nfs/dbraw/zinc/81/52/09/431815209.db2.gz KNNSBZUSMGFGHV-ZDUSSCGKSA-N 2 0 315.864 2.841 20 0 DFADRP c1nnc([C@H]2CCC[N@@H+](CCCC3CC[NH2+]CC3)C2)n1C1CC1 ZINC000647988467 431766165 /nfs/dbraw/zinc/76/61/65/431766165.db2.gz MVGGFQIAJGKXTN-INIZCTEOSA-N 2 0 317.481 2.572 20 0 DFADRP c1ccc(C[C@@H]2C[N@H+](CCCC3CC[NH2+]CC3)CCO2)cc1 ZINC000647988764 431766964 /nfs/dbraw/zinc/76/69/64/431766964.db2.gz IHKBPCADIXDFIN-LJQANCHMSA-N 2 0 302.462 2.710 20 0 DFADRP CN1CC[C@@H]([NH2+]CCCC2CC[NH2+]CC2)[C@H]1c1ccccc1 ZINC000647992639 431769926 /nfs/dbraw/zinc/76/99/26/431769926.db2.gz VVBLYSISBMXMGX-RTBURBONSA-N 2 0 301.478 2.801 20 0 DFADRP C([C@@H]1CC[NH2+]C1)[NH+]1CCC(c2nc3c(s2)CCCC3)CC1 ZINC000647995169 431770348 /nfs/dbraw/zinc/77/03/48/431770348.db2.gz BTINUODTOZKOTP-CYBMUJFWSA-N 2 0 305.491 2.811 20 0 DFADRP CC1(C)C[C@@H](C[NH2+]Cc2ccnn2-c2cc[nH+]cc2)CCO1 ZINC000657488967 431782996 /nfs/dbraw/zinc/78/29/96/431782996.db2.gz VIRMZQFDNZRDKA-AWEZNQCLSA-N 2 0 300.406 2.562 20 0 DFADRP c1cc(C[NH2+]C[C@H]2CC23CCSCC3)n(-c2cc[nH+]cc2)n1 ZINC000657493853 431785647 /nfs/dbraw/zinc/78/56/47/431785647.db2.gz JTKMLABNRILALU-CQSZACIVSA-N 2 0 314.458 2.890 20 0 DFADRP C[C@@H]1C[C@@H]([NH2+]CC2CC[NH+](Cc3ccncc3)CC2)C[C@H](C)O1 ZINC000657613482 431825640 /nfs/dbraw/zinc/82/56/40/431825640.db2.gz LASDFFZFWBFURC-HGKCTWBKSA-N 2 0 317.477 2.839 20 0 DFADRP C[C@@H](COc1c(F)cccc1F)[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000657629084 431829037 /nfs/dbraw/zinc/82/90/37/431829037.db2.gz ZTOHCZUSFCHDIV-BFHYXJOUSA-N 2 0 310.388 2.949 20 0 DFADRP COc1cc([C@@H](C)[NH2+]CCCC[N@@H+]2CCC[C@@H]2CO)ccc1F ZINC000153719018 289056590 /nfs/dbraw/zinc/05/65/90/289056590.db2.gz DFYJFXVQWOAKRZ-GDBMZVCRSA-N 2 0 324.440 2.722 20 0 DFADRP O=c1[nH]c2ccccc2cc1C[N@@H+]1C[C@@H]2C[NH+]3CCCC[C@H]3[C@H]2C1 ZINC000363414289 289092134 /nfs/dbraw/zinc/09/21/34/289092134.db2.gz LVQWCZJZHASAEM-AOIWGVFYSA-N 2 0 323.440 2.857 20 0 DFADRP c1ccc(-c2nnc(CN3C[C@@H]4C[N@@H+]5CCCC[C@H]5[C@@H]4C3)o2)cc1 ZINC000363416367 289092208 /nfs/dbraw/zinc/09/22/08/289092208.db2.gz ZZTPBNNIYWCGQU-ZACQAIPSSA-N 2 0 324.428 2.653 20 0 DFADRP C[N@@H+]1C[C@@H]2C[NH+](CC3CCOCC3)C[C@H]2[C@H]1c1ccccc1 ZINC000363426937 289094597 /nfs/dbraw/zinc/09/45/97/289094597.db2.gz JEMJOUQIRAZFFE-GUDVDZBRSA-N 2 0 300.446 2.648 20 0 DFADRP C[C@H](C(=O)N1CCC[C@H]([NH+]2CCCC2)CC1)[NH+]1CCCCCC1 ZINC000150744459 289277793 /nfs/dbraw/zinc/27/77/93/289277793.db2.gz FIGDSVLJJFHILL-MSOLQXFVSA-N 2 0 321.509 2.728 20 0 DFADRP C[C@H](C(=O)Nc1ccc(C[N@@H+]2CCCC[C@@H]2C)cc1)C1C[NH2+]C1 ZINC000262339772 289380644 /nfs/dbraw/zinc/38/06/44/289380644.db2.gz HTACOVOZXIGRFH-GJZGRUSLSA-N 2 0 315.461 2.855 20 0 DFADRP C[C@H](C(=O)Nc1ccc2c(c1F)CC[NH2+]C2)[NH+]1CCCCCC1 ZINC000261679037 289382312 /nfs/dbraw/zinc/38/23/12/289382312.db2.gz HGNQPFDCNRANKC-CYBMUJFWSA-N 2 0 319.424 2.674 20 0 DFADRP C[NH2+]CCC[NH+]1CCC(CCc2cc(OC)cc(OC)c2)CC1 ZINC000435871025 296977718 /nfs/dbraw/zinc/97/77/18/296977718.db2.gz IOVWSAWJFBWARK-UHFFFAOYSA-N 2 0 320.477 2.958 20 0 DFADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]C[C@H]2CC23CCOCC3)[C@H](C)C1 ZINC000437015009 297052828 /nfs/dbraw/zinc/05/28/28/297052828.db2.gz BSTTZQULBMWCAU-KURKYZTESA-N 2 0 324.509 2.530 20 0 DFADRP CC[C@H](Cc1ccc(OC)c(OC)c1)[NH2+]C1CCC([NH3+])CC1 ZINC000437803697 297070176 /nfs/dbraw/zinc/07/01/76/297070176.db2.gz SYGHWQULLSABKG-HWOWSKLDSA-N 2 0 306.450 2.884 20 0 DFADRP COc1ccc(C[N@H+](CC2CC2)C[C@@H]2CCC[NH2+]C2)c(OC)c1 ZINC000261959796 295126329 /nfs/dbraw/zinc/12/63/29/295126329.db2.gz PCKAPSNUCZHCCB-MRXNPFEDSA-N 2 0 318.461 2.915 20 0 DFADRP CC[C@@H]([NH2+]CCCC[NH+]1CCN(C)CC1)c1ccc(OC)cc1 ZINC000154378243 295298676 /nfs/dbraw/zinc/29/86/76/295298676.db2.gz GXDWBEDJBUZVCD-LJQANCHMSA-N 2 0 319.493 2.764 20 0 DFADRP COc1ccc(C)cc1[C@H](C)[NH2+]CCCC[NH+]1CCN(C)CC1 ZINC000154379613 295298852 /nfs/dbraw/zinc/29/88/52/295298852.db2.gz HNPIBJBALHYLNQ-KRWDZBQOSA-N 2 0 319.493 2.682 20 0 DFADRP CCC(CC)(CNC(=O)C[NH2+]C1CC1)[NH2+][C@@H](C)c1ccccc1 ZINC000154661333 295304559 /nfs/dbraw/zinc/30/45/59/295304559.db2.gz MUWJJGGYRGWYPB-HNNXBMFYSA-N 2 0 317.477 2.764 20 0 DFADRP CCC[C@H]([NH2+]C[C@H](C(C)C)N1CC[NH+](C)CC1)c1ccccn1 ZINC000158589787 295364878 /nfs/dbraw/zinc/36/48/78/295364878.db2.gz ZQXAAMZOXYPKCO-PKOBYXMFSA-N 2 0 318.509 2.784 20 0 DFADRP COc1ccccc1[C@@H](C)[NH2+][C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000363786155 295444574 /nfs/dbraw/zinc/44/45/74/295444574.db2.gz QCDYODPOEUAOBW-CVEARBPZSA-N 2 0 317.477 2.514 20 0 DFADRP C[C@H]([NH2+][C@H]1CCN(C2CC[NH+](C)CC2)C1)c1ccc(F)cc1F ZINC000363788562 295444915 /nfs/dbraw/zinc/44/49/15/295444915.db2.gz XUSBCNVZQDQRJZ-ZFWWWQNUSA-N 2 0 323.431 2.784 20 0 DFADRP C[C@H]([NH2+][C@H]1CCN(C2CC[NH+](C)CC2)C1)c1cccc(F)c1F ZINC000378449520 295477790 /nfs/dbraw/zinc/47/77/90/295477790.db2.gz GCHJZUYCGOIQNV-KBPBESRZSA-N 2 0 323.431 2.784 20 0 DFADRP COc1ccc(OC)c([C@H](C)[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000400978183 295499376 /nfs/dbraw/zinc/49/93/76/295499376.db2.gz TUTNECTZKGNOJZ-LJISPDSOSA-N 2 0 304.434 2.743 20 0 DFADRP CCNC(=O)C(C)(C)[NH2+]Cc1cccc(C[NH+]2CCCCC2)c1 ZINC000411813802 295560465 /nfs/dbraw/zinc/56/04/65/295560465.db2.gz FWVQTLYYDBDFKM-UHFFFAOYSA-N 2 0 317.477 2.677 20 0 DFADRP CCC[C@@H]([NH2+]CC(=O)NC1CC[NH+](C(C)C)CC1)C1CCC1 ZINC000411816446 295560682 /nfs/dbraw/zinc/56/06/82/295560682.db2.gz HXZSPSUOICMPGK-QGZVFWFLSA-N 2 0 309.498 2.534 20 0 DFADRP CC(C)(C)[NH2+]CCNC(=O)c1cccc(C[NH+]2CCCCC2)c1 ZINC000412133983 295592467 /nfs/dbraw/zinc/59/24/67/295592467.db2.gz YMSNCYHJJKNPCX-UHFFFAOYSA-N 2 0 317.477 2.790 20 0 DFADRP C[C@H](CNC(=O)c1cccc(C[NH+]2CCCCC2)c1)C[NH+](C)C ZINC000412355259 295615322 /nfs/dbraw/zinc/61/53/22/295615322.db2.gz DEBVLANUEAULFU-MRXNPFEDSA-N 2 0 317.477 2.600 20 0 DFADRP c1ccc(CC[N@H+]2CC[C@@H](C[NH2+]CC[C@H]3CCOC3)C2)cc1 ZINC000438218152 297085188 /nfs/dbraw/zinc/08/51/88/297085188.db2.gz XWWOCRHVKHWNAE-OALUTQOASA-N 2 0 302.462 2.567 20 0 DFADRP C[N@@H+]1CCN(CC[NH2+][C@@H]2CCc3ccc(Cl)cc32)CC1(C)C ZINC000442860010 297208283 /nfs/dbraw/zinc/20/82/83/297208283.db2.gz AZFMJIQYVSNZKV-QGZVFWFLSA-N 2 0 321.896 2.943 20 0 DFADRP CC(C)[C@H]([NH2+]CCN1CC[N@H+](C)C(C)(C)C1)c1ccc(F)cn1 ZINC000442878430 297209025 /nfs/dbraw/zinc/20/90/25/297209025.db2.gz TZCTUXWKSXHASZ-KRWDZBQOSA-N 2 0 322.472 2.533 20 0 DFADRP Cc1ccc(C)c([C@@H](C)[NH2+]CCN2CC[N@H+](C)C(C)(C)C2)c1 ZINC000442879572 297209347 /nfs/dbraw/zinc/20/93/47/297209347.db2.gz WVLHDXKROQHVMJ-QGZVFWFLSA-N 2 0 303.494 2.980 20 0 DFADRP C[C@@H](C(=O)Nc1cccc(Cl)c1)[N@@H+]1CCC[C@H](CC[NH3+])C1 ZINC000443057631 297214090 /nfs/dbraw/zinc/21/40/90/297214090.db2.gz HLAYBSNISUZPRH-QWHCGFSZSA-N 2 0 309.841 2.728 20 0 DFADRP [NH3+]CC[C@H]1CCC[N@H+](CCC(=O)Nc2ccc(Cl)cc2)C1 ZINC000443064232 297214457 /nfs/dbraw/zinc/21/44/57/297214457.db2.gz XSAZAFPYCFUKOC-CYBMUJFWSA-N 2 0 309.841 2.729 20 0 DFADRP Cc1ccc([C@@H](C)NC(=O)C[N@@H+]2CCC[C@@H](CC[NH3+])C2)cc1C ZINC000443068431 297214707 /nfs/dbraw/zinc/21/47/07/297214707.db2.gz ICOBGTUZEJCNLE-SJORKVTESA-N 2 0 317.477 2.541 20 0 DFADRP C[C@@H](c1nc(-c2ccccc2)no1)[N@@H+]1CCC[C@H](CC[NH3+])C1 ZINC000443066087 297214916 /nfs/dbraw/zinc/21/49/16/297214916.db2.gz DIXKBSLIFNHMIG-UONOGXRCSA-N 2 0 300.406 2.858 20 0 DFADRP CC[NH+]1CCC(N2CCC[N@H+](Cc3ccc(F)cc3)CC2)CC1 ZINC000445534827 297262307 /nfs/dbraw/zinc/26/23/07/297262307.db2.gz WNUUFQKPRIMZNX-UHFFFAOYSA-N 2 0 319.468 2.818 20 0 DFADRP C[C@@H]1C[C@@H]([NH2+]CC2(c3ccc(F)cc3)CCOCC2)CC[N@@H+]1C ZINC000152043199 297283413 /nfs/dbraw/zinc/28/34/13/297283413.db2.gz HJHZOTZQMJZFPK-QAPCUYQASA-N 2 0 320.452 2.946 20 0 DFADRP CC[N@@H+]1CC[C@@H]([NH+](C)CCC(=O)Nc2ccc(C)cn2)C[C@H]1C ZINC000447007940 297292663 /nfs/dbraw/zinc/29/26/63/297292663.db2.gz RVKSQZZWDRUIGZ-HZPDHXFCSA-N 2 0 318.465 2.523 20 0 DFADRP CC(C)[NH+](CCNC(=O)c1sccc1C[NH+](C)C)C(C)C ZINC000447086034 297295120 /nfs/dbraw/zinc/29/51/20/297295120.db2.gz LIBGLIHAZXDELF-UHFFFAOYSA-N 2 0 311.495 2.658 20 0 DFADRP C[C@@H]1CC2(CCC2)C[NH+]1C[C@@H](O)C[N@H+]1CC2(CCC2)C[C@@H]1C ZINC000447323777 297301217 /nfs/dbraw/zinc/30/12/17/297301217.db2.gz LAWNSNXMTWDDLE-BJWYYQGGSA-N 2 0 306.494 2.876 20 0 DFADRP CC[N@H+](Cc1ccc(C(=O)N[C@H]2CC[NH2+][C@H](C)C2)cc1)C1CC1 ZINC000447506624 297305659 /nfs/dbraw/zinc/30/56/59/297305659.db2.gz DHGUVYKZAYXGLV-PBHICJAKSA-N 2 0 315.461 2.541 20 0 DFADRP C[C@@H]([NH2+]CCOCC[NH+](C)C)c1cccc(-c2ccncc2)c1 ZINC000447602520 297310349 /nfs/dbraw/zinc/31/03/49/297310349.db2.gz SQMXISHJHAOCNV-MRXNPFEDSA-N 2 0 313.445 2.977 20 0 DFADRP c1cc(N2CCN(CCC[NH2+]C3CC4(CCC4)C3)CC2)cc[nH+]1 ZINC000448075534 297331696 /nfs/dbraw/zinc/33/16/96/297331696.db2.gz WDEOROJTWMNOIL-UHFFFAOYSA-N 2 0 314.477 2.516 20 0 DFADRP C[NH+](C)CCOC1CC[NH+](Cc2ccnn2C2CCCC2)CC1 ZINC000449028025 297393671 /nfs/dbraw/zinc/39/36/71/297393671.db2.gz NEWMCUJZDMGGKK-UHFFFAOYSA-N 2 0 320.481 2.541 20 0 DFADRP C[C@@H]1C[NH+](CCCC[NH2+]Cc2cc3cccnc3o2)C[C@@H](C)O1 ZINC000449104290 297405809 /nfs/dbraw/zinc/40/58/09/297405809.db2.gz UTCAFLXZNCQKKO-HUUCEWRRSA-N 2 0 317.433 2.807 20 0 DFADRP C[C@H](C[NH2+][C@H]1CCCC12CCCCC2)CN1CC[NH+](C)CC1 ZINC000449131264 297410551 /nfs/dbraw/zinc/41/05/51/297410551.db2.gz LHSVGMSMGGNRSC-MSOLQXFVSA-N 2 0 307.526 2.963 20 0 DFADRP CCOC[C@H](O)C[NH2+]C1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC000449162192 297415860 /nfs/dbraw/zinc/41/58/60/297415860.db2.gz IFWPRBGYWQUWDC-MRXNPFEDSA-N 2 0 314.514 2.653 20 0 DFADRP CC[C@H](CCO)[NH2+]C1CC[NH+]([C@@H](C)Cc2ccccc2)CC1 ZINC000449162718 297416053 /nfs/dbraw/zinc/41/60/53/297416053.db2.gz STZVJLIWGBKMIJ-FUHWJXTLSA-N 2 0 304.478 2.833 20 0 DFADRP CC[C@H]([NH2+]CC1CC[NH+](CC(=O)NC(C)(C)C)CC1)C1CCC1 ZINC000449175772 297418214 /nfs/dbraw/zinc/41/82/14/297418214.db2.gz KVOMCVJQLKTKGU-KRWDZBQOSA-N 2 0 323.525 2.781 20 0 DFADRP COCC1CCC([NH2+]C2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)CC1 ZINC000449181545 297418697 /nfs/dbraw/zinc/41/86/97/297418697.db2.gz ABJAIHZGWOJDNF-YVZJPGBNSA-N 2 0 324.509 2.549 20 0 DFADRP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+]C[C@@H]2CC[C@H](O)C2)CC1 ZINC000449276676 297434548 /nfs/dbraw/zinc/43/45/48/297434548.db2.gz COYCENYNVQKUJE-POAQFYNOSA-N 2 0 316.489 2.833 20 0 DFADRP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+]CCCCCO)CC1 ZINC000449294422 297438924 /nfs/dbraw/zinc/43/89/24/297438924.db2.gz ZBEWNGNHENIHFK-QGZVFWFLSA-N 2 0 304.478 2.834 20 0 DFADRP C[NH2+][C@@H](CC(C)(C)C)C(=O)NC[C@H](C1CCCCC1)[NH+](C)C ZINC000449322340 297445388 /nfs/dbraw/zinc/44/53/88/297445388.db2.gz XBLUSXRYNZZGHG-JKSUJKDBSA-N 2 0 311.514 2.637 20 0 DFADRP C[C@@H](Cc1ccccc1)[NH+]1CCC([NH2+][C@H]2CC[C@@H](CO)C2)CC1 ZINC000449427784 297464701 /nfs/dbraw/zinc/46/47/01/297464701.db2.gz PDGYCEPSNGZWBB-HQRMLTQVSA-N 2 0 316.489 2.833 20 0 DFADRP CCC(C)(C)[NH2+][C@@H](C)C(=O)N[C@@H](CC(C)C)C[NH+]1CCCC1 ZINC000452343917 297961795 /nfs/dbraw/zinc/96/17/95/297961795.db2.gz MJKUQYIUDZQHBK-HOTGVXAUSA-N 2 0 311.514 2.780 20 0 DFADRP COC1([C@@H](C)[NH2+]CCCC[N@@H+]2CCCC[C@@H]2C)CCOCC1 ZINC000453053980 298057534 /nfs/dbraw/zinc/05/75/34/298057534.db2.gz BFOVALDXQRZIIH-DLBZAZTESA-N 2 0 312.498 2.815 20 0 DFADRP COC1([C@H](C)[NH2+]CCCC[N@@H+]2CCCC[C@H]2C)CCOCC1 ZINC000453053983 298057729 /nfs/dbraw/zinc/05/77/29/298057729.db2.gz BFOVALDXQRZIIH-SJORKVTESA-N 2 0 312.498 2.815 20 0 DFADRP C[NH+]1CCN(c2cc(C[NH2+][C@@H](C3CC3)C3CCC3)ccn2)CC1 ZINC000453071058 298059263 /nfs/dbraw/zinc/05/92/63/298059263.db2.gz WKPWEJSJHRHISD-LJQANCHMSA-N 2 0 314.477 2.502 20 0 DFADRP Cn1nccc1CN[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000453074359 298059775 /nfs/dbraw/zinc/05/97/75/298059775.db2.gz HMJPIOCYLLDGIQ-VAMGGRTRSA-N 2 0 324.472 2.953 20 0 DFADRP CC[C@H]([NH2+]C1CC[NH+]([C@H]2CCC[C@H]2O)CC1)c1ccncc1 ZINC000453158820 298067479 /nfs/dbraw/zinc/06/74/79/298067479.db2.gz KMDPAKOHUWOBBI-OKZBNKHCSA-N 2 0 303.450 2.500 20 0 DFADRP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]CCOc1ccc(Cl)c(F)c1 ZINC000453304180 298081583 /nfs/dbraw/zinc/08/15/83/298081583.db2.gz FHRBBKQJMNVVGZ-ABAIWWIYSA-N 2 0 300.805 2.788 20 0 DFADRP C[C@H]1C[N@H+](C)CC[C@H]1[NH2+]CCOc1ccc(Cl)c(F)c1 ZINC000453304183 298081775 /nfs/dbraw/zinc/08/17/75/298081775.db2.gz FHRBBKQJMNVVGZ-XHDPSFHLSA-N 2 0 300.805 2.788 20 0 DFADRP O[C@H]1C[C@@H]([NH2+][C@@H]2CCCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)C1 ZINC000453350766 298085882 /nfs/dbraw/zinc/08/58/82/298085882.db2.gz FDGIVFKIWFECLX-CENDIDJXSA-N 2 0 314.473 2.790 20 0 DFADRP C[N@H+](CCCC[NH2+][C@H](c1nnc[nH]1)C1CCCCC1)C1CC1 ZINC000453397469 298090096 /nfs/dbraw/zinc/09/00/96/298090096.db2.gz JMBTTXQVQAZITN-INIZCTEOSA-N 2 0 305.470 2.890 20 0 DFADRP C[C@@H]([NH2+]CCCC[N@H+](C)C1CC1)c1ccc(C(=O)N(C)C)cc1 ZINC000453419327 298092908 /nfs/dbraw/zinc/09/29/08/298092908.db2.gz YTSAPUZUSMUBDX-OAHLLOKOSA-N 2 0 317.477 2.913 20 0 DFADRP C[C@@H]([NH2+]CCCC[N@H+](C)C1CC1)c1ccc2c(c1)OCCO2 ZINC000453442231 298096300 /nfs/dbraw/zinc/09/63/00/298096300.db2.gz YCOHVYALHZRGAT-CQSZACIVSA-N 2 0 304.434 2.983 20 0 DFADRP C[C@@H](Cc1ccccc1)[NH+]1CCC([NH2+]C[C@H]2CCC[C@@H]2O)CC1 ZINC000453638086 298107934 /nfs/dbraw/zinc/10/79/34/298107934.db2.gz ZBZQLDKSUBXOMT-HQRMLTQVSA-N 2 0 316.489 2.833 20 0 DFADRP CC[C@@H]1C[N@H+](CC)CCN1C(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000454331084 298156919 /nfs/dbraw/zinc/15/69/19/298156919.db2.gz QMTWWIOGGJGCSY-QGZVFWFLSA-N 2 0 318.465 2.696 20 0 DFADRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+][C@@H](C)CCc1cccc(F)c1 ZINC000186581982 298428837 /nfs/dbraw/zinc/42/88/37/298428837.db2.gz VVLGICDTHLZJJS-DLBZAZTESA-N 2 0 321.484 2.762 20 0 DFADRP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@@H](C)c1ccc2ccccc2n1 ZINC000177969559 298618786 /nfs/dbraw/zinc/61/87/86/298618786.db2.gz CSIZONKPOHIKJY-CVEARBPZSA-N 2 0 312.461 2.521 20 0 DFADRP O=C(NCCCCC[NH+]1CCCC1)C1C[NH+](C2CCCCC2)C1 ZINC000457806965 298804211 /nfs/dbraw/zinc/80/42/11/298804211.db2.gz BSRPGQVFBVWDAH-UHFFFAOYSA-N 2 0 321.509 2.633 20 0 DFADRP C[C@@H]([NH2+]CC1(C)CC[NH2+]CC1)c1cccc(N2CCOC2=O)c1 ZINC000496163006 300024118 /nfs/dbraw/zinc/02/41/18/300024118.db2.gz YXCSREITOILCCL-CQSZACIVSA-N 2 0 317.433 2.684 20 0 DFADRP CC[N@@H+]1CC[C@H]([NH2+][C@H](C)[C@H](C)NC(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000496196219 300028776 /nfs/dbraw/zinc/02/87/76/300028776.db2.gz AJNVNSWCTGFVLB-XGUBFFRZSA-N 2 0 313.486 2.608 20 0 DFADRP COC(=O)N1CCC[C@H]([C@H](C)[NH2+][C@@H]2C[C@H]([NH3+])c3ccccc32)C1 ZINC000496283793 300040779 /nfs/dbraw/zinc/04/07/79/300040779.db2.gz MLLJBHHACJZDFK-MGBSGCIJSA-N 2 0 317.433 2.588 20 0 DFADRP COC(=O)Nc1cccc(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)c1 ZINC000496557437 300079875 /nfs/dbraw/zinc/07/98/75/300079875.db2.gz CEDNLEFVJRPFJF-YESZJQIVSA-N 2 0 317.433 2.875 20 0 DFADRP CC[C@@H]([NH2+]CC1([NH3+])CCC1)[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000496625862 300089959 /nfs/dbraw/zinc/08/99/59/300089959.db2.gz PDHYMXBIAKOELI-ZIAGYGMSSA-N 2 0 311.470 2.636 20 0 DFADRP C[C@H](CCC[NH3+])[NH2+][C@@H]1CCCN(C(=O)Oc2ccccc2)CC1 ZINC000496735948 300106263 /nfs/dbraw/zinc/10/62/63/300106263.db2.gz HWCSOLVFEMEFPJ-HZPDHXFCSA-N 2 0 319.449 2.757 20 0 DFADRP CC(C)[NH2+]CCC[NH2+][C@H](C)c1cccc(N2CCOC2=O)c1 ZINC000496779492 300112849 /nfs/dbraw/zinc/11/28/49/300112849.db2.gz AQYFJSJWZBZFCR-CQSZACIVSA-N 2 0 305.422 2.682 20 0 DFADRP C[C@H](CCC[NH3+])[NH2+]C1CCN(C(=O)OCc2ccccc2)CC1 ZINC000497053339 300153308 /nfs/dbraw/zinc/15/33/08/300153308.db2.gz JMVBLKDWSMADPV-OAHLLOKOSA-N 2 0 319.449 2.505 20 0 DFADRP CCC(CC)C[N@H+](CC)CN1C[C@]2(C[NH+]3CCC2CC3)OC1=O ZINC000497219370 300179851 /nfs/dbraw/zinc/17/98/51/300179851.db2.gz GPKDPMSNOCOHPB-SFHVURJKSA-N 2 0 323.481 2.619 20 0 DFADRP CC(C)CC[NH+]1CCC(CNC(=O)[C@H]2CCCC[C@@]2(C)[NH3+])CC1 ZINC000498198618 300194239 /nfs/dbraw/zinc/19/42/39/300194239.db2.gz RMJDZAIAXJAGHC-IEBWSBKVSA-N 2 0 323.525 2.768 20 0 DFADRP CC(C)CC[NH+]1CCC(CNC(=O)[C@H]2CCCC[C@]2(C)[NH3+])CC1 ZINC000498198619 300194492 /nfs/dbraw/zinc/19/44/92/300194492.db2.gz RMJDZAIAXJAGHC-MJGOQNOKSA-N 2 0 323.525 2.768 20 0 DFADRP CC[C@H]1CC[N@H+](CCCN2CCN(c3ccccc3)CC2)C1 ZINC000509384190 300241083 /nfs/dbraw/zinc/24/10/83/300241083.db2.gz GJYPWYQQARPPHW-SFHVURJKSA-N 2 0 301.478 2.931 20 0 DFADRP CC[C@@H](C[N@@H+]1CC[C@@H](N2CC[NH+](CC)CC2)C1)c1ccccc1 ZINC000513479637 300257820 /nfs/dbraw/zinc/25/78/20/300257820.db2.gz PBWMXQVBKHZLSC-AZUAARDMSA-N 2 0 315.505 2.892 20 0 DFADRP Cc1cc(NC(=O)C[N@@H+]2CCC(C)(C)C2)ccc1C[NH+](C)C ZINC000514797820 300271918 /nfs/dbraw/zinc/27/19/18/300271918.db2.gz DSIWUOHOUUAOSF-UHFFFAOYSA-N 2 0 303.450 2.727 20 0 DFADRP CC(C)[C@@H]1C[C@H](Nc2c[nH+]ccc2N2CC[NH+](C)CC2)CS1 ZINC000514903031 300278347 /nfs/dbraw/zinc/27/83/47/300278347.db2.gz LJNFSOJLZCYGHS-YOEHRIQHSA-N 2 0 320.506 2.775 20 0 DFADRP O[C@H](C[NH2+]Cc1ccccc1C[NH+]1CCCC1)CC(F)(F)F ZINC000515165948 300292928 /nfs/dbraw/zinc/29/29/28/300292928.db2.gz PZMVMZQUVBKZQX-HNNXBMFYSA-N 2 0 316.367 2.685 20 0 DFADRP C[C@@H]([NH2+]C[C@H]1CCC[NH2+]C1)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000515483336 300309405 /nfs/dbraw/zinc/30/94/05/300309405.db2.gz OHIUYURNFYAKOF-OLZOCXBDSA-N 2 0 301.434 2.567 20 0 DFADRP CC(C)[N@@H+]1CCC[C@H](CNC(=O)CC[C@@H]([NH3+])c2ccccc2)C1 ZINC000515643073 300316199 /nfs/dbraw/zinc/31/61/99/300316199.db2.gz YMOMGZGNONWBMG-SJLPKXTDSA-N 2 0 317.477 2.703 20 0 DFADRP C[C@H]([NH2+]C[C@H](c1c(F)cccc1F)N(C)C)[C@H]1CCC[NH2+]C1 ZINC000516273720 300337977 /nfs/dbraw/zinc/33/79/77/300337977.db2.gz QJIQFSQBIDSOMD-HEHGZKQESA-N 2 0 311.420 2.545 20 0 DFADRP Cc1cc(F)ccc1N1CCC[C@H]([NH2+][C@@H]2CCC[C@@H]([NH3+])C2)C1 ZINC000516492002 300345603 /nfs/dbraw/zinc/34/56/03/300345603.db2.gz QCIHVKWOIVLBDX-ZACQAIPSSA-N 2 0 305.441 2.962 20 0 DFADRP COc1ccc(C[C@H](C)C[NH2+][C@@H](C)[C@@H]2CCC[NH2+]C2)cc1OC ZINC000516861232 300363969 /nfs/dbraw/zinc/36/39/69/300363969.db2.gz CKOJNTZZFKLCLG-YQQAZPJKSA-N 2 0 320.477 2.860 20 0 DFADRP C[C@H]([NH2+]Cc1ccnc(OCC(F)(F)F)c1)[C@H]1CCC[NH2+]C1 ZINC000516958016 300372789 /nfs/dbraw/zinc/37/27/89/300372789.db2.gz SDIHSFZOFTYPTJ-AAEUAGOBSA-N 2 0 317.355 2.500 20 0 DFADRP CC[NH2+]CCCNc1cc(N[C@@H]2CCCO[C@H]2C(C)C)ncn1 ZINC000517020331 300377396 /nfs/dbraw/zinc/37/73/96/300377396.db2.gz ZDOHVYHSVAGTLO-PBHICJAKSA-N 2 0 321.469 2.504 20 0 DFADRP C[NH+](C)CCCC(C)(C)[NH2+]Cc1ccc(-n2cncn2)c(F)c1 ZINC000517216278 300387329 /nfs/dbraw/zinc/38/73/29/300387329.db2.gz WEZTXPIHWYSJJW-UHFFFAOYSA-N 2 0 319.428 2.616 20 0 DFADRP CC[C@H]([NH2+][C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1)C1CCCCC1 ZINC000517731053 300404828 /nfs/dbraw/zinc/40/48/28/300404828.db2.gz FZMHNWUMDYJHAK-SCTDSRPQSA-N 2 0 321.509 2.582 20 0 DFADRP CC[C@H](C)NC(=O)c1cccc(C[NH2+][C@H](C)[C@@H]2CCC[NH2+]C2)c1 ZINC000519596458 300461469 /nfs/dbraw/zinc/46/14/69/300461469.db2.gz QQUBTSGUSSOIKZ-HDMKZQKVSA-N 2 0 317.477 2.693 20 0 DFADRP CN1CC[NH+](CC2(C)CC[NH+](CC3CC(C)(C)C3)CC2)CC1 ZINC000528445145 300791776 /nfs/dbraw/zinc/79/17/76/300791776.db2.gz HUSOZAFPOUMHMK-UHFFFAOYSA-N 2 0 307.526 2.772 20 0 DFADRP C[C@@H]1C[C@@H](N[C@H]2CC[NH2+]C23CCC3)CC[N@@H+]1Cc1ccccc1 ZINC000530176562 301025790 /nfs/dbraw/zinc/02/57/90/301025790.db2.gz CBLNAJXYHCKADV-NEWSRXKRSA-N 2 0 313.489 2.914 20 0 DFADRP C[C@H](N[C@@H]1CC[NH2+]C12CCC2)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000530215201 301029984 /nfs/dbraw/zinc/02/99/84/301029984.db2.gz FCMQZSZNMZSVSD-QXAKKESOSA-N 2 0 313.489 2.771 20 0 DFADRP Cn1ccnc1C[N@H+](CC1CC(C)(C)C1)[C@H]1CC12CC[NH2+]CC2 ZINC000530218323 301030387 /nfs/dbraw/zinc/03/03/87/301030387.db2.gz LVPRRIIVJLNDLL-INIZCTEOSA-N 2 0 316.493 2.800 20 0 DFADRP Cn1ccnc1C[N@H+](CC1CC(C)(C)C1)[C@@H]1CC12CC[NH2+]CC2 ZINC000530218326 301030419 /nfs/dbraw/zinc/03/04/19/301030419.db2.gz LVPRRIIVJLNDLL-MRXNPFEDSA-N 2 0 316.493 2.800 20 0 DFADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]C[C@H]1c2ccccc2C(=O)N1C ZINC000530219959 301030889 /nfs/dbraw/zinc/03/08/89/301030889.db2.gz ACEBXAMXTFTQIZ-VKJFTORMSA-N 2 0 315.461 2.714 20 0 DFADRP CO[C@H](Cc1ccc(F)cc1)C[NH+]1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000530223066 301031819 /nfs/dbraw/zinc/03/18/19/301031819.db2.gz OGGAXPWVXIMMIR-MOPGFXCFSA-N 2 0 320.452 2.847 20 0 DFADRP C[C@@H](c1ccc(F)cc1)[NH+]1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000530238842 301033241 /nfs/dbraw/zinc/03/32/41/301033241.db2.gz DCICDTLOCHVGCN-KBXCAEBGSA-N 2 0 306.425 2.977 20 0 DFADRP CCc1ccc(C[NH+]2CCC(CO[C@@H]3CC[NH2+]C3)CC2)s1 ZINC000530248335 301033729 /nfs/dbraw/zinc/03/37/29/301033729.db2.gz JDMHAFGPUWHIED-OAHLLOKOSA-N 2 0 308.491 2.901 20 0 DFADRP C[C@@H](Cc1ccccc1)C[NH+]1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000530248316 301033781 /nfs/dbraw/zinc/03/37/81/301033781.db2.gz IUPMQGIIUVDSPT-FXAWDEMLSA-N 2 0 316.489 2.956 20 0 DFADRP C[C@@H]1C[C@H](C[NH+]2CCN(c3cccc4[nH]ccc43)CC2)CC[NH2+]1 ZINC000530247394 301033795 /nfs/dbraw/zinc/03/37/95/301033795.db2.gz RNXYSFMFNQDBLC-HZPDHXFCSA-N 2 0 312.461 2.678 20 0 DFADRP c1cc2c(cc1N[C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1)OCC[NH2+]C2 ZINC000530247328 301033848 /nfs/dbraw/zinc/03/38/48/301033848.db2.gz QFKUDZKDNSOUHZ-BRWVUGGUSA-N 2 0 301.434 2.501 20 0 DFADRP CCc1cccc(F)c1C[NH+]1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000530248838 301033998 /nfs/dbraw/zinc/03/39/98/301033998.db2.gz QFPFVHQFBYUZMQ-KRWDZBQOSA-N 2 0 320.452 2.979 20 0 DFADRP CCN(CC)C(=O)C[C@@H](C)[NH2+]CCCC[NH+]1CCC(C)CC1 ZINC000531682800 301103712 /nfs/dbraw/zinc/10/37/12/301103712.db2.gz PDSIYYTWHOKDHK-QGZVFWFLSA-N 2 0 311.514 2.735 20 0 DFADRP COc1cc(C[NH2+][C@@H]2CC[N@H+](C)C[C@H]2C)ccc1OC(F)F ZINC000531945245 301120645 /nfs/dbraw/zinc/12/06/45/301120645.db2.gz PBAUKEZNBSNDPY-DGCLKSJQSA-N 2 0 314.376 2.726 20 0 DFADRP C[C@H]([NH2+]CC1CC[NH+](C)CC1)c1ccc2c(c1)CCC(=O)N2 ZINC000532215084 301136956 /nfs/dbraw/zinc/13/69/56/301136956.db2.gz NHXIUDSXFJEMJG-ZDUSSCGKSA-N 2 0 301.434 2.564 20 0 DFADRP C[C@@H](CN1CC[NH+](C)CC1)[NH2+][C@H]1CCc2c1cccc2Cl ZINC000532231233 301138248 /nfs/dbraw/zinc/13/82/48/301138248.db2.gz HDHPZZMGWQQQRD-GUYCJALGSA-N 2 0 307.869 2.553 20 0 DFADRP CCCOc1ccc(C[NH2+]CC2(O)CC[NH+](C(C)C)CC2)cc1 ZINC000532373806 301148161 /nfs/dbraw/zinc/14/81/61/301148161.db2.gz HPMHHIFCQGOXFF-UHFFFAOYSA-N 2 0 320.477 2.800 20 0 DFADRP CC[C@H](C)[C@H](C)[NH2+][C@H](CN1CC[NH+](C)CC1)c1ccccc1 ZINC000532497875 301155805 /nfs/dbraw/zinc/15/58/05/301155805.db2.gz XZGYXCQXQIXKOI-JENIJYKNSA-N 2 0 303.494 2.999 20 0 DFADRP O[C@H]1CCC[C@@H]1[NH+]1CCC([NH2+]Cc2cccc3cc[nH]c32)CC1 ZINC000532627220 301163862 /nfs/dbraw/zinc/16/38/62/301163862.db2.gz FUFVKURMWPSEGG-ROUUACIJSA-N 2 0 313.445 2.635 20 0 DFADRP CC[C@H](C)[C@H]1CCCC[N@@H+]1CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000532967390 301179609 /nfs/dbraw/zinc/17/96/09/301179609.db2.gz AWNGWRDNBIRVAJ-MAUKXSAKSA-N 2 0 321.509 2.630 20 0 DFADRP CCO[C@H](C)c1nc(CN2CC[C@@H](c3nccn3C)C2)cs1 ZINC000533865544 301215031 /nfs/dbraw/zinc/21/50/31/301215031.db2.gz QBBMOESODRYKGC-CHWSQXEVSA-N 2 0 320.462 2.964 20 0 DFADRP CCCn1c(C)nnc1CN1CCC(C[N@H+](C)C(C)C)CC1 ZINC000536535633 301276736 /nfs/dbraw/zinc/27/67/36/301276736.db2.gz OLHDJAWSPKESOI-UHFFFAOYSA-N 2 0 307.486 2.549 20 0 DFADRP C[NH+](CCCC[N@@H+](C)C[C@H]1CCCCO1)C[C@H]1CCCCO1 ZINC000536540544 301277723 /nfs/dbraw/zinc/27/77/23/301277723.db2.gz RLJCRMRGOGKSRB-QZTJIDSGSA-N 2 0 312.498 2.768 20 0 DFADRP C[NH+](C)CCOC1CC[NH+](Cc2ccnc3ccccc23)CC1 ZINC000539832374 301351747 /nfs/dbraw/zinc/35/17/47/301351747.db2.gz RMYCDVGWJVHWOJ-UHFFFAOYSA-N 2 0 313.445 2.777 20 0 DFADRP C[C@@H]1C[C@@H]1C[NH2+]Cc1c(Cl)cccc1N1CC[NH+](C)CC1 ZINC000539951279 301354367 /nfs/dbraw/zinc/35/43/67/301354367.db2.gz UWKPKCHUNAAUTM-ZIAGYGMSSA-N 2 0 307.869 2.837 20 0 DFADRP CC(C)[C@@H]([NH2+]Cc1ccccc1C[N@@H+]1CC[C@@H](O)C1)C1CC1 ZINC000540988416 301380058 /nfs/dbraw/zinc/38/00/58/301380058.db2.gz LFIBUVNANQZTAP-RTBURBONSA-N 2 0 302.462 2.777 20 0 DFADRP CC[C@@H](C(=O)Nc1cc(C[NH+](C)C)ccc1OC)[NH+](CC)CC ZINC000546601164 301502404 /nfs/dbraw/zinc/50/24/04/301502404.db2.gz LTGRETBWFKINLU-INIZCTEOSA-N 2 0 321.465 2.816 20 0 DFADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)[C@@H]1CCC[C@@H]2CCCC[C@@H]12 ZINC000552005049 301675287 /nfs/dbraw/zinc/67/52/87/301675287.db2.gz JJPPBSKCORGQNB-RCCFBDPRSA-N 2 0 323.525 2.545 20 0 DFADRP Cc1cc(N[C@@H](C)C[NH+](C)C)c2cc(OC(F)F)ccc2[nH+]1 ZINC000553356756 301711308 /nfs/dbraw/zinc/71/13/08/301711308.db2.gz BJWMTXYCJFWPSW-NSHDSACASA-N 2 0 309.360 2.929 20 0 DFADRP CC[NH+]1CCC(C[NH2+]C2CCC(c3nc(C)no3)CC2)CC1 ZINC000562365442 301965255 /nfs/dbraw/zinc/96/52/55/301965255.db2.gz MRFLNUFBTCTQCX-UHFFFAOYSA-N 2 0 306.454 2.726 20 0 DFADRP C[C@@H](CCN[C@@H](C)[C@H]1CCC[NH2+]C1)[N@H+](C)Cc1ccccc1 ZINC000562958379 302017886 /nfs/dbraw/zinc/01/78/86/302017886.db2.gz CLPGEAWWINBIDX-LNLFQRSKSA-N 3 0 303.494 2.875 20 0 DFADRP C[C@@H]1CC([NH2+][C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)C[C@@H](C)O1 ZINC000562959437 302018179 /nfs/dbraw/zinc/01/81/79/302018179.db2.gz OBSCRIAHBLNPLW-BCXHYRKLSA-N 2 0 316.445 2.788 20 0 DFADRP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]CCc1nc(-c2ccncc2)cs1 ZINC000562960441 302018688 /nfs/dbraw/zinc/01/86/88/302018688.db2.gz XXENWZIUQSSERO-LSDHHAIUSA-N 2 0 316.474 2.855 20 0 DFADRP CC(C)CC[N@@H+]1Cc2cccc(NC(=O)[C@H]3CC[NH2+][C@H]3C)c2C1 ZINC000563203137 302048586 /nfs/dbraw/zinc/04/85/86/302048586.db2.gz OHAGAQGARSMBPH-HOCLYGCPSA-N 2 0 315.461 2.985 20 0 DFADRP CCO[C@@H]1C[C@H]([N@H+](C)Cc2ccc3c(c2)C[NH2+]CC3)C1(C)C ZINC000563269536 302056404 /nfs/dbraw/zinc/05/64/04/302056404.db2.gz VGJIAFZJBGDOJU-ZWKOTPCHSA-N 2 0 302.462 2.968 20 0 DFADRP CC[NH+](CC)CCO[C@H]1CC[N@H+](Cc2ccc(OC)cc2F)C1 ZINC000563540758 302081492 /nfs/dbraw/zinc/08/14/92/302081492.db2.gz GBENEJBYCLVWIJ-KRWDZBQOSA-N 2 0 324.440 2.767 20 0 DFADRP CC[NH2+]CCC[NH2+][C@H](Cc1ccncc1)c1ccc(OC)cc1 ZINC000563950997 302110709 /nfs/dbraw/zinc/11/07/09/302110709.db2.gz DMGHRBZQGMYCKV-LJQANCHMSA-N 2 0 313.445 2.963 20 0 DFADRP C[C@H]([NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1)c1cncc(Br)c1 ZINC000564742283 302155973 /nfs/dbraw/zinc/15/59/73/302155973.db2.gz YBPTUXHOFGGWQH-RYUDHWBXSA-N 2 0 324.266 2.979 20 0 DFADRP C[C@@H]([NH2+]CC[C@H]1CCC[NH2+]C1)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000564822080 302161119 /nfs/dbraw/zinc/16/11/19/302161119.db2.gz GFQGFYWYHKVCGK-ZIAGYGMSSA-N 2 0 315.461 2.957 20 0 DFADRP c1cc(CC[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)cc2c1OCO2 ZINC000564823544 302161194 /nfs/dbraw/zinc/16/11/94/302161194.db2.gz DLMUJDXMXAXGDD-YESZJQIVSA-N 2 0 316.445 2.858 20 0 DFADRP C[C@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)c1nc(-c2ccccc2)no1 ZINC000564826147 302161736 /nfs/dbraw/zinc/16/17/36/302161736.db2.gz FGZUKQBFLSKHSM-SLHHOWHOSA-N 2 0 312.417 2.713 20 0 DFADRP [NH3+][C@@H]1CCC[C@H](C[NH2+][C@H](Cc2ccccn2)c2cccnc2)C1 ZINC000564828035 302161781 /nfs/dbraw/zinc/16/17/81/302161781.db2.gz ORIFAZPYVYKBOX-KVSKMBFKSA-N 2 0 310.445 2.868 20 0 DFADRP C[C@@H]1CCC[N@H+](CCCC[NH2+]C[C@@H](O)COc2ccccc2)C1 ZINC000564843763 302163063 /nfs/dbraw/zinc/16/30/63/302163063.db2.gz FRYWLDGOMMVLTO-QZTJIDSGSA-N 2 0 320.477 2.528 20 0 DFADRP OC1(C[NH2+]C[C@H]2CCCC[N@H+](Cc3ccccc3)C2)CCC1 ZINC000564868221 302166703 /nfs/dbraw/zinc/16/67/03/302166703.db2.gz DHYZVNAMYMXLMH-GOSISDBHSA-N 2 0 302.462 2.793 20 0 DFADRP C[N@@H+]1CCCC[C@@H]1CCC(=O)N[C@@H](CCC[NH3+])c1ccccc1 ZINC000564956824 302176287 /nfs/dbraw/zinc/17/62/87/302176287.db2.gz WEBVWTJYXMCCRA-MSOLQXFVSA-N 2 0 317.477 2.847 20 0 DFADRP Clc1ccc(CN2CCC([NH2+]CC3CC[NH2+]CC3)CC2)cc1 ZINC000565298361 302216507 /nfs/dbraw/zinc/21/65/07/302216507.db2.gz AAIWJRNYEPGQSF-UHFFFAOYSA-N 2 0 321.896 2.894 20 0 DFADRP CC[NH+]1CCC(CNC(=O)CC[C@H]([NH3+])CC2CCCCC2)CC1 ZINC000565595739 302232238 /nfs/dbraw/zinc/23/22/38/302232238.db2.gz HIPCOWGFZAGYLF-SFHVURJKSA-N 2 0 323.525 2.912 20 0 DFADRP C[NH+](C)[C@@H]1CCC[C@H]([NH2+]C[C@H](O)Cc2cccc(Cl)c2)C1 ZINC000565652546 302234889 /nfs/dbraw/zinc/23/48/89/302234889.db2.gz XAWWXKDXXRCADO-GVDBMIGSSA-N 2 0 310.869 2.706 20 0 DFADRP [NH3+]C1C[C@H]2CCC[C@@H](C1)C2[NH2+]Cc1nccn1-c1ccccc1 ZINC000565880233 302246553 /nfs/dbraw/zinc/24/65/53/302246553.db2.gz NLRKDVZMJWRDAX-JOUKPKRSSA-N 2 0 310.445 2.868 20 0 DFADRP C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)CCCC[NH3+])cc1 ZINC000565889016 302246969 /nfs/dbraw/zinc/24/69/69/302246969.db2.gz IHJDTFRVZXAFGF-MRXNPFEDSA-N 2 0 317.477 2.806 20 0 DFADRP CCOC(=O)[C@@H]1CC[C@@H]([NH2+]CC2CC[NH2+]CC2)c2ccccc21 ZINC000566087981 302258028 /nfs/dbraw/zinc/25/80/28/302258028.db2.gz JCVYSXHYJGGHJO-QZTJIDSGSA-N 2 0 316.445 2.757 20 0 DFADRP C[C@H](c1ccncc1)[NH+]1CCC(N[C@@H]2CCCCC[C@@H]2[NH3+])CC1 ZINC000566090768 302258601 /nfs/dbraw/zinc/25/86/01/302258601.db2.gz LTRCTXKMMPLNLO-AYOQOUSVSA-N 2 0 316.493 2.857 20 0 DFADRP C[C@H](CNC(=O)CC[C@H]([NH3+])c1ccccc1)[N@@H+]1CCCC[C@H]1C ZINC000566289373 302274887 /nfs/dbraw/zinc/27/48/87/302274887.db2.gz STEWYZFSSRWLLT-NUJGCVRESA-N 2 0 317.477 2.846 20 0 DFADRP O[C@@H]1CCCC[C@@H]1C[N@H+]1C[C@@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000566306612 302277804 /nfs/dbraw/zinc/27/78/04/302277804.db2.gz UFSXUGWQGYCMEP-YSTOQKLRSA-N 2 0 314.473 2.601 20 0 DFADRP Cc1ccc(C[N@H+](C)CCCN2CC[NH+](C)CC2)c(Cl)c1 ZINC000566339103 302280854 /nfs/dbraw/zinc/28/08/54/302280854.db2.gz WRSYVJQXKQFLQA-UHFFFAOYSA-N 2 0 309.885 2.718 20 0 DFADRP CC[C@H](C)C[C@H](NC1CCN(c2ccccn2)CC1)C(=O)OC ZINC000566858849 302317628 /nfs/dbraw/zinc/31/76/28/302317628.db2.gz BGXFTRWWPCGPGD-HOCLYGCPSA-N 2 0 319.449 2.618 20 0 DFADRP C[C@H]1C[N@H+](CCC[NH2+]Cc2ccnc3ccccc23)CCCO1 ZINC000567010557 302328996 /nfs/dbraw/zinc/32/89/96/302328996.db2.gz QITXVGIDWFJSGY-INIZCTEOSA-N 2 0 313.445 2.825 20 0 DFADRP CO[C@@H]1CC[NH+](CCCC[N@H+]2CC[C@H](OC)C[C@@H]2C)[C@@H](C)C1 ZINC000567064081 302332956 /nfs/dbraw/zinc/33/29/56/302332956.db2.gz TWUBXXWEDDIMMR-XLAORIBOSA-N 2 0 312.498 2.765 20 0 DFADRP CC(C)c1nc2n(n1)C[C@@H]([NH2+][C@H](C)C[C@H]1CCCCC[NH2+]1)CC2 ZINC000567260340 302345593 /nfs/dbraw/zinc/34/55/93/302345593.db2.gz LLMVCTBTEBPYON-OAGGEKHMSA-N 2 0 319.497 2.617 20 0 DFADRP C[N@H+](CCC(=O)N1CC[C@@]2(C1)CCC[NH+](C)C2)C1CCCCC1 ZINC000567263538 302345965 /nfs/dbraw/zinc/34/59/65/302345965.db2.gz DZXDFMOJIRUQQG-IBGZPJMESA-N 2 0 321.509 2.585 20 0 DFADRP C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)c1sccc1C[NH+](C)C ZINC000567273806 302346543 /nfs/dbraw/zinc/34/65/43/302346543.db2.gz ATHIUCCIFMUVSV-CYBMUJFWSA-N 2 0 323.506 2.612 20 0 DFADRP C[C@@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]CCn1c2ccccc2[nH]c1=O ZINC000567333284 302350450 /nfs/dbraw/zinc/35/04/50/302350450.db2.gz AYCYQQZAIHWMJO-GJZGRUSLSA-N 2 0 316.449 2.642 20 0 DFADRP CC(C)[NH+]1CCN([C@H]2CC[N@H+](CC34CCC(CC3)C4)C2)CC1 ZINC000567440748 302358468 /nfs/dbraw/zinc/35/84/68/302358468.db2.gz HVAWDPQHJLUFBW-XBMUEBEBSA-N 2 0 305.510 2.667 20 0 DFADRP C[C@@H]1CN(C[C@H](O)C[NH2+]CC(C)(C)C2=CCCCC2)C[C@H](C)O1 ZINC000567582999 302370362 /nfs/dbraw/zinc/37/03/62/302370362.db2.gz KJPAIBXXXHGWDD-SOLBZPMBSA-N 2 0 324.509 2.573 20 0 DFADRP C[C@H]([NH2+]C[C@@H]1CCCN(c2ccccc2)C1)[C@H]1CCC[NH2+]C1 ZINC000567639986 302375338 /nfs/dbraw/zinc/37/53/38/302375338.db2.gz UALRPBPGIXNUEM-BZSNNMDCSA-N 2 0 301.478 2.881 20 0 DFADRP C[C@H]([NH2+]Cc1ccnc(OC2CCCC2)c1)[C@@H]1CCC[NH2+]C1 ZINC000567648402 302376665 /nfs/dbraw/zinc/37/66/65/302376665.db2.gz LNPCDCPZEMDCOJ-GOEBONIOSA-N 2 0 303.450 2.881 20 0 DFADRP C[C@H](O)C[NH2+]CCCC[NH+]1CCC(Cc2ccccc2)CC1 ZINC000567691902 302380149 /nfs/dbraw/zinc/38/01/49/302380149.db2.gz IUUJPYWZIAECBS-KRWDZBQOSA-N 2 0 304.478 2.692 20 0 DFADRP CCc1ccc(C(C)(C)C[NH2+]C[C@@H](O)CN(C)C2CC2)cc1 ZINC000567725965 302384594 /nfs/dbraw/zinc/38/45/94/302384594.db2.gz RVPMMFKZJITLCH-GOSISDBHSA-N 2 0 304.478 2.571 20 0 DFADRP CC[NH+](CC)[C@H](C(=O)N(C)[C@H]1CCC[NH2+]CC1)c1ccccc1 ZINC000570804875 302593688 /nfs/dbraw/zinc/59/36/88/302593688.db2.gz FSVWYMHKHDVIKF-ROUUACIJSA-N 2 0 317.477 2.670 20 0 DFADRP C[C@H](CCc1n[nH]c2ccccc21)[NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000571178091 302607947 /nfs/dbraw/zinc/60/79/47/302607947.db2.gz KMBABTINXHPDHR-ACWOFJMJSA-N 2 0 312.461 2.862 20 0 DFADRP CC[C@H]([NH2+]C1CCC(c2nc(C)no2)CC1)[C@@H]1CCCC[NH2+]1 ZINC000572026870 302640665 /nfs/dbraw/zinc/64/06/65/302640665.db2.gz IHSLEBMGWKKOHG-CKUJCDMFSA-N 2 0 306.454 2.915 20 0 DFADRP Cc1ccccc1[C@@H](CO)[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000572220913 302649588 /nfs/dbraw/zinc/64/95/88/302649588.db2.gz SQKXZJABMUZLBH-LJQANCHMSA-N 2 0 311.429 2.682 20 0 DFADRP [NH3+]CCC1CC[NH+](CC(=O)NCCCC2CCCCC2)CC1 ZINC000574046824 302737764 /nfs/dbraw/zinc/73/77/64/302737764.db2.gz LQJFPWORPDWQSX-UHFFFAOYSA-N 2 0 309.498 2.524 20 0 DFADRP [NH3+]C[C@H]1CCCC[C@H]1[NH2+]CC1(CO)CC(c2ccccc2)C1 ZINC000574268972 302749614 /nfs/dbraw/zinc/74/96/14/302749614.db2.gz OZWVHLIOUISVGZ-TXQGORRRSA-N 2 0 302.462 2.650 20 0 DFADRP CCC[C@@H]1CCCC[C@@H]1[NH2+]CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000574499184 302762103 /nfs/dbraw/zinc/76/21/03/302762103.db2.gz MDJXQTPCSMDFHA-QAPCUYQASA-N 2 0 321.509 2.678 20 0 DFADRP [NH3+][C@@H]1CCC[C@@H](C(=O)NCC2([NH+]3CCCCC3)CCCCC2)C1 ZINC000237866891 303456774 /nfs/dbraw/zinc/45/67/74/303456774.db2.gz FVBVXEHDUGUHLC-IAGOWNOFSA-N 2 0 321.509 2.809 20 0 DFADRP c1cnn(-c2ccccc2C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)c1 ZINC000261621401 304861036 /nfs/dbraw/zinc/86/10/36/304861036.db2.gz AYDCMJASPHYTEK-RCCFBDPRSA-N 2 0 310.445 2.883 20 0 DFADRP COC[C@H]([NH2+][C@H](C)c1ccc(OCC[NH+](C)C)cc1)C(C)C ZINC000165878071 315889414 /nfs/dbraw/zinc/88/94/14/315889414.db2.gz XCAGOESIPSABGJ-QAPCUYQASA-N 2 0 308.466 2.949 20 0 DFADRP CCC1(CC)[C@H]([NH2+]C2CC[NH+](CCCOC)CC2)C[C@@H]1OC ZINC000181661173 316066904 /nfs/dbraw/zinc/06/69/04/316066904.db2.gz LZYBYIGRWDVCQA-SJORKVTESA-N 2 0 312.498 2.671 20 0 DFADRP C[C@H](CCNC(=O)[C@H](C)[N@H+]1[C@H](C)CC[C@@H]1C)[NH+]1CCCCC1 ZINC000182918126 316123606 /nfs/dbraw/zinc/12/36/06/316123606.db2.gz AFMJVVWTXVHKMX-NCOADZHNSA-N 2 0 309.498 2.628 20 0 DFADRP CC[NH+]1CCN(CCC[NH2+][C@H](C)c2cccc(F)c2F)CC1 ZINC000183222687 316134380 /nfs/dbraw/zinc/13/43/80/316134380.db2.gz WRMHLSDLVZZOPJ-CQSZACIVSA-N 2 0 311.420 2.643 20 0 DFADRP C[C@H](C[NH2+][C@H](C)C12CC3CC(CC(C3)C1)C2)N1CC[NH+](C)CC1 ZINC000185366144 316186203 /nfs/dbraw/zinc/18/62/03/316186203.db2.gz SIBLDXFHQNBJDF-SBXPZINTSA-N 2 0 319.537 2.817 20 0 DFADRP C[C@H]([NH2+]CCOCC(F)(F)F)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185692512 316190144 /nfs/dbraw/zinc/19/01/44/316190144.db2.gz IOPNFCXSSKFLMO-STQMWFEESA-N 2 0 308.388 2.808 20 0 DFADRP C[N@H+](Cc1ccccc1)[C@@H](CNc1cc[nH+]cc1C(N)=O)C1CC1 ZINC000186416292 316200253 /nfs/dbraw/zinc/20/02/53/316200253.db2.gz IVFCBXBXTXBXMB-SFHVURJKSA-N 2 0 324.428 2.503 20 0 DFADRP COc1ccc(C[C@H](C)C[NH2+]C[C@H]2CCC[N@H+](C)C2)cc1F ZINC000187351447 316208630 /nfs/dbraw/zinc/20/86/30/316208630.db2.gz WREQTUHKMZALIN-GOEBONIOSA-N 2 0 308.441 2.944 20 0 DFADRP C[C@@H](CC(=O)Nc1ccc(C[NH+](C)C)cc1)[C@H]1CCC[NH2+]C1 ZINC000317302893 316248160 /nfs/dbraw/zinc/24/81/60/316248160.db2.gz XDPQJORJCXWDOM-HOCLYGCPSA-N 2 0 303.450 2.713 20 0 DFADRP C[NH+](C)Cc1ccc(NC(=O)CC2(C[NH3+])CCCCC2)cc1 ZINC000319213380 316250566 /nfs/dbraw/zinc/25/05/66/316250566.db2.gz SDWDJCMIVGVCKM-UHFFFAOYSA-N 2 0 303.450 2.986 20 0 DFADRP c1ccc(C[N@@H+]2CCC[C@H](N[C@H]3CC[NH+]4CCC[C@@H]4C3)C2)cc1 ZINC000336704705 316299804 /nfs/dbraw/zinc/29/98/04/316299804.db2.gz GUKZXMNAOKSLIG-SLFFLAALSA-N 2 0 313.489 2.867 20 0 DFADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CCc2c(C)noc2C)[C@@H](C)C1 ZINC000346598440 316318791 /nfs/dbraw/zinc/31/87/91/316318791.db2.gz GABTYLNPFGUMNL-KBXCAEBGSA-N 2 0 323.481 2.561 20 0 DFADRP C[N@@H+]1CC[C@H](c2nc(-c3cccc(C[NH+]4CCCC4)c3)no2)C1 ZINC000350022759 316374109 /nfs/dbraw/zinc/37/41/09/316374109.db2.gz IZPQIAQGGQHZPV-INIZCTEOSA-N 2 0 312.417 2.752 20 0 DFADRP [NH3+]CCN(c1ccc2ccccc2n1)C1CC[NH+](C2CC2)CC1 ZINC000414484286 316606205 /nfs/dbraw/zinc/60/62/05/316606205.db2.gz GLFTZRYKLMPFHN-UHFFFAOYSA-N 2 0 310.445 2.627 20 0 DFADRP C[C@@H]1C[C@@H](C[NH+]2CCC(C(=O)NC3CCCCC3)CC2)CC[NH2+]1 ZINC000414741140 316645057 /nfs/dbraw/zinc/64/50/57/316645057.db2.gz HLEZLPTUOGTHQP-CVEARBPZSA-N 2 0 321.509 2.535 20 0 DFADRP [NH3+][C@@H]1CCO[C@H]1C1CC[NH+](C[C@@H]2C[C@H]2c2ccccc2)CC1 ZINC000414779537 316652308 /nfs/dbraw/zinc/65/23/08/316652308.db2.gz RQIKVNKIVVCECW-OKYOBFRVSA-N 2 0 300.446 2.618 20 0 DFADRP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]Cc1ccc(OCc2ccncc2)cc1 ZINC000414788665 316657559 /nfs/dbraw/zinc/65/75/59/316657559.db2.gz DSOUVMDYBUXRHZ-HKUYNNGSSA-N 2 0 311.429 2.878 20 0 DFADRP [NH3+]C[C@H]1CCC[C@@H]1[NH2+]Cc1cnn(-c2ccc(Cl)cc2)c1 ZINC000414793238 316659700 /nfs/dbraw/zinc/65/97/00/316659700.db2.gz JZSFCGMZTZBXBV-CJNGLKHVSA-N 2 0 304.825 2.743 20 0 DFADRP [NH3+]C[C@H]1CCC[C@@H]1[NH2+]Cc1ccc(OCC(F)(F)F)c(F)c1 ZINC000414796339 316661172 /nfs/dbraw/zinc/66/11/72/316661172.db2.gz HOIXSBZMMQHBEN-YPMHNXCESA-N 2 0 320.330 2.984 20 0 DFADRP Cc1cc(C)n2c(C[NH2+]Cc3ccc([C@H](C)[NH3+])cc3)cnc2n1 ZINC000414802540 316663139 /nfs/dbraw/zinc/66/31/39/316663139.db2.gz BVUFYRVXXGVRHC-AWEZNQCLSA-N 2 0 309.417 2.656 20 0 DFADRP Cc1ccc(NC(=O)N(CC[NH+](C)C)C2CC[NH+](C)CC2)s1 ZINC000426656318 316824048 /nfs/dbraw/zinc/82/40/48/316824048.db2.gz HYXGNFBERQZRHH-UHFFFAOYSA-N 2 0 324.494 2.546 20 0 DFADRP CC(C)[C@@H]1CCCC[C@H]1NC(=O)CCC[NH+]1CCC([NH3+])CC1 ZINC000433157907 316883342 /nfs/dbraw/zinc/88/33/42/316883342.db2.gz OCJLEIAQBUUSPQ-DLBZAZTESA-N 2 0 309.498 2.521 20 0 DFADRP CCOC(=O)[C@@H]1CC[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)C[C@@H]1C ZINC000449559528 317044807 /nfs/dbraw/zinc/04/48/07/317044807.db2.gz BWVAMNZSKYVHCC-KSAJCEOXSA-N 2 0 308.466 2.569 20 0 DFADRP C[C@H](c1ccccc1)[C@H](O)C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000450497399 317098524 /nfs/dbraw/zinc/09/85/24/317098524.db2.gz CDCTWYTYCUUSFJ-QXCFHYIPSA-N 2 0 302.462 2.567 20 0 DFADRP C[C@H](O)CC[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000450500753 317099658 /nfs/dbraw/zinc/09/96/58/317099658.db2.gz LZEZPLZBXDJJLG-WDSOQIARSA-N 2 0 302.462 2.744 20 0 DFADRP C[NH+]1CCC(C)(CNC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)CC1 ZINC000450504566 317101068 /nfs/dbraw/zinc/10/10/68/317101068.db2.gz YOFDQYDRPPHUMT-QGZVFWFLSA-N 2 0 321.509 2.632 20 0 DFADRP C[NH+](C)CCC[NH2+][C@H](Cc1ccccc1Cl)[C@@H]1CCCO1 ZINC000453067348 317159342 /nfs/dbraw/zinc/15/93/42/317159342.db2.gz ZEQWEHJZJDGMDF-SJORKVTESA-N 2 0 310.869 2.971 20 0 DFADRP CCC[C@@H]([NH2+]CCCN1CCC[C@H]1C(=O)N(C)C)C(C)(C)C ZINC000453100171 317162049 /nfs/dbraw/zinc/16/20/49/317162049.db2.gz VFLMHSHMKLUYAG-JKSUJKDBSA-N 2 0 311.514 2.734 20 0 DFADRP CCO[C@@H]1C[C@@H]([NH2+][C@@H]2CCCN(CCCO)C2)C12CCCCC2 ZINC000453288133 317175555 /nfs/dbraw/zinc/17/55/55/317175555.db2.gz JWEKVMFMFLUZAH-KZNAEPCWSA-N 2 0 324.509 2.551 20 0 DFADRP CNC(=O)C[C@H](C)[NH2+]C1CCC([N@H+](C)Cc2ccccc2)CC1 ZINC000453383529 317181533 /nfs/dbraw/zinc/18/15/33/317181533.db2.gz SUPFKGCWWQBUQK-ZLPCBKJTSA-N 2 0 317.477 2.544 20 0 DFADRP Cc1cnc(CC[NH2+][C@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)cn1 ZINC000453394840 317183241 /nfs/dbraw/zinc/18/32/41/317183241.db2.gz HJGVBZYSJOJSLH-MJGOQNOKSA-N 2 0 324.472 2.828 20 0 DFADRP C[N@@H+]1CCC[C@@H](CCNC(=O)[C@H]2CCCC[NH+]2C2CCCC2)C1 ZINC000458236531 317269417 /nfs/dbraw/zinc/26/94/17/317269417.db2.gz YJNXMWAYPQSZND-FUHWJXTLSA-N 2 0 321.509 2.632 20 0 DFADRP Clc1cccc(CC[NH+]2CCC(C[NH+]3CCOCC3)CC2)c1 ZINC000459308788 317316740 /nfs/dbraw/zinc/31/67/40/317316740.db2.gz UGHQGKCEVTUEJU-UHFFFAOYSA-N 2 0 322.880 2.927 20 0 DFADRP CC[NH+]1CCN([C@H](C)C[NH2+]C2CC(C)(c3ccccc3)C2)CC1 ZINC000459365438 317321859 /nfs/dbraw/zinc/32/18/59/317321859.db2.gz BKJGIWHENLJZNT-QHGAOEGBSA-N 2 0 315.505 2.722 20 0 DFADRP C[NH+](C)CCCC1CC[NH+](Cc2cc(=O)[nH]c(C3CC3)n2)CC1 ZINC000459380400 317323984 /nfs/dbraw/zinc/32/39/84/317323984.db2.gz ZTUARGVEQZLTSD-UHFFFAOYSA-N 2 0 318.465 2.613 20 0 DFADRP [NH3+]C[C@H](Cc1ccccc1)[C@H]1CCCC[N@@H+]1CCn1cccn1 ZINC000471835196 317337284 /nfs/dbraw/zinc/33/72/84/317337284.db2.gz UTUCBEBWTZCZPY-RBUKOAKNSA-N 2 0 312.461 2.555 20 0 DFADRP CC[NH+](CC)Cc1ccc(NC(=O)[C@H]2C[N@H+](C)C[C@H]2C)cc1 ZINC000487437667 317346378 /nfs/dbraw/zinc/34/63/78/317346378.db2.gz IRGIDGBAAINJOU-PBHICJAKSA-N 2 0 303.450 2.665 20 0 DFADRP CC(C)(C)[C@@H]1C[C@@H]([NH2+]CCCC[NH+]2CCOCC2)CS1 ZINC000488449753 317394648 /nfs/dbraw/zinc/39/46/48/317394648.db2.gz OUPNPIVPQFSANV-CABCVRRESA-N 2 0 300.512 2.609 20 0 DFADRP CC[NH+](CC)CCOc1ccccc1C[NH2+][C@@H]1CCC[C@@H]([NH3+])C1 ZINC000514738828 317709039 /nfs/dbraw/zinc/70/90/39/317709039.db2.gz LAQVJVLLTARRMD-QZTJIDSGSA-N 3 0 319.493 2.767 20 0 DFADRP C[NH+](C)C[C@H](N[C@H]1CC[NH2+]C1)c1ccc(Cl)c(Cl)c1 ZINC000530221435 317776484 /nfs/dbraw/zinc/77/64/84/317776484.db2.gz FMWOQQIJZCLZCZ-FZMZJTMJSA-N 2 0 302.249 2.548 20 0 DFADRP FC(F)(F)CCCC[NH+]1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000530240526 317777980 /nfs/dbraw/zinc/77/79/80/317777980.db2.gz MSJJFLWEDCBVFY-CQSZACIVSA-N 2 0 308.388 2.810 20 0 DFADRP C[C@@H](c1ccccc1F)[NH+]1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000530240952 317777987 /nfs/dbraw/zinc/77/79/87/317777987.db2.gz OGOHVFNXZRJIOL-GOEBONIOSA-N 2 0 306.425 2.977 20 0 DFADRP C[C@H](Cc1ccsc1)[NH+]1CCC(C[NH+]2CCOCC2)CC1 ZINC000541201269 317811809 /nfs/dbraw/zinc/81/18/09/317811809.db2.gz XMDXPMQJFQEVPP-OAHLLOKOSA-N 2 0 308.491 2.723 20 0 DFADRP C[C@H]([NH2+][C@@H]1CCO[C@H]1c1ccc(F)c(F)c1)[C@@H]1CCC[NH2+]C1 ZINC000565468178 317921597 /nfs/dbraw/zinc/92/15/97/317921597.db2.gz DCOLKZZPPLVDKN-AADNMHCOSA-N 2 0 310.388 2.773 20 0 DFADRP C[C@H]([NH2+]C[C@H]1CCC[C@@H]([NH3+])C1)c1ccc2c(c1)CCC(=O)N2 ZINC000566092648 317937210 /nfs/dbraw/zinc/93/72/10/317937210.db2.gz FHMSEGAOPZZAGD-HEHGZKQESA-N 2 0 301.434 2.739 20 0 DFADRP CC[NH+](CC)Cc1cccc(CNC(=O)C[C@@H]2CCC[NH2+]C2)c1 ZINC000572015410 317998350 /nfs/dbraw/zinc/99/83/50/317998350.db2.gz NOUWNFRIAFZAEQ-KRWDZBQOSA-N 2 0 317.477 2.534 20 0 DFADRP Cn1ncc2ccc(C[NH2+]C3CCN(c4cc[nH+]cc4)CC3)cc21 ZINC000572818774 318004619 /nfs/dbraw/zinc/00/46/19/318004619.db2.gz HENDNUBSTIGFBB-UHFFFAOYSA-N 2 0 321.428 2.727 20 0 DFADRP [NH3+][C@@H]1CCC[C@@H](Nc2cccc(C[NH+]3CCSCC3)c2)C1 ZINC000573020615 318011432 /nfs/dbraw/zinc/01/14/32/318011432.db2.gz QFOFADKFNXEACE-NVXWUHKLSA-N 2 0 305.491 2.917 20 0 DFADRP C[C@H]1CCCC[N@@H+]1CCC(=O)N1CCC[NH+](CC2CCC2)CC1 ZINC000574703468 318034994 /nfs/dbraw/zinc/03/49/94/318034994.db2.gz NLFSZMXZXKWIBY-KRWDZBQOSA-N 2 0 321.509 2.585 20 0 DFADRP Cc1cc(C)cc(NC(=O)[C@H](C)[NH+]2CCC(CC[NH3+])CC2)c1 ZINC000575130016 318065662 /nfs/dbraw/zinc/06/56/62/318065662.db2.gz IELRPZSUDXUSBC-HNNXBMFYSA-N 2 0 303.450 2.691 20 0 DFADRP CC[C@H](C)NC(=O)c1cccc(C[NH2+][C@@H]2CCC[C@@H]([NH3+])C2)c1 ZINC000575138180 318066450 /nfs/dbraw/zinc/06/64/50/318066450.db2.gz UAFQZGQBVUNADY-IAOVAPTHSA-N 2 0 303.450 2.574 20 0 DFADRP C[C@H](NC[C@@H](c1ccco1)[NH+]1CCCCC1)[C@@H]1CCC[NH2+]C1 ZINC000575243643 318071951 /nfs/dbraw/zinc/07/19/51/318071951.db2.gz UXWFFPMVEVCHIK-BBWFWOEESA-N 2 0 305.466 2.784 20 0 DFADRP C[C@H](NC[C@@H](c1ccco1)[NH+]1CCCCC1)[C@H]1CCC[NH2+]C1 ZINC000575243645 318072210 /nfs/dbraw/zinc/07/22/10/318072210.db2.gz UXWFFPMVEVCHIK-ULQDDVLXSA-N 2 0 305.466 2.784 20 0 DFADRP [NH3+][C@@H]1CCO[C@H]1C1CC[NH+](Cc2ccnc3ccccc23)CC1 ZINC000575868713 318088654 /nfs/dbraw/zinc/08/86/54/318088654.db2.gz IXONNCVULDZMKB-MJGOQNOKSA-N 2 0 311.429 2.563 20 0 DFADRP CC(C)[N@@H+]1CC[C@@H](CNC(=O)C(C)(C)[C@@H]([NH3+])c2ccccc2)C1 ZINC000575984660 318095888 /nfs/dbraw/zinc/09/58/88/318095888.db2.gz BRLASLJXOJMYOF-RDJZCZTQSA-N 2 0 317.477 2.559 20 0 DFADRP CN(CCC[NH3+])Cc1cc(Cl)ccc1OC[C@@H]1CCCO1 ZINC000575988793 318096464 /nfs/dbraw/zinc/09/64/64/318096464.db2.gz ZKUDAKFKBBKBMS-HNNXBMFYSA-N 2 0 312.841 2.678 20 0 DFADRP C[C@@H](C[C@H]1CCCCC[NH2+]1)[NH2+]Cc1cccc(-n2cncn2)c1 ZINC000576010246 318098512 /nfs/dbraw/zinc/09/85/12/318098512.db2.gz YFWBHISHBFTUFS-DOTOQJQBSA-N 2 0 313.449 2.668 20 0 DFADRP COCCCOc1cccc(C[NH2+][C@@H](C)[C@@H]2CCC[NH2+]C2)c1 ZINC000576268693 318115097 /nfs/dbraw/zinc/11/50/97/318115097.db2.gz YZNJEVHILWCGTG-DOTOQJQBSA-N 2 0 306.450 2.580 20 0 DFADRP COCCCOc1cccc(C[NH2+][C@H](C)[C@H]2CCC[NH2+]C2)c1 ZINC000576268696 318115231 /nfs/dbraw/zinc/11/52/31/318115231.db2.gz YZNJEVHILWCGTG-WBVHZDCISA-N 2 0 306.450 2.580 20 0 DFADRP CC1(C[NH+]2CCN([C@@H]3CC[N@H+](Cc4ccccc4)C3)CC2)CC1 ZINC000576433084 318125607 /nfs/dbraw/zinc/12/56/07/318125607.db2.gz WIGIRMWKMMNNAZ-LJQANCHMSA-N 2 0 313.489 2.679 20 0 DFADRP C[C@@H]1[NH2+]CC[C@H]1C(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC000576634336 318139379 /nfs/dbraw/zinc/13/93/79/318139379.db2.gz FVWUTRUJBWCXHS-MAUKXSAKSA-N 2 0 315.461 2.652 20 0 DFADRP COCCC[NH+]1CCC([NH2+]Cc2ccc3[nH]ccc3c2)CC1 ZINC000576768061 318149143 /nfs/dbraw/zinc/14/91/43/318149143.db2.gz VRNBJVYQCAKAGL-UHFFFAOYSA-N 2 0 301.434 2.758 20 0 DFADRP [NH3+][C@@H]1CCC[C@H]([NH2+]CCNc2cccc(Br)c2)C1 ZINC000576767686 318149208 /nfs/dbraw/zinc/14/92/08/318149208.db2.gz OYSGSIVWGXFZQP-OCCSQVGLSA-N 2 0 312.255 2.721 20 0 DFADRP C[C@@H]([NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1)c1ccc2c(c1)CCC(=O)N2 ZINC000576935166 318160279 /nfs/dbraw/zinc/16/02/79/318160279.db2.gz ZGJIRTTVFAULFF-PZPSRYQVSA-N 2 0 313.445 2.610 20 0 DFADRP C[C@H]([NH2+][C@@H](CN1CC[NH+](C)CC1)c1ccccc1)[C@H]1C[C@H]1C ZINC000577042629 318167354 /nfs/dbraw/zinc/16/73/54/318167354.db2.gz ZVLLSVXXPYTVSO-NEPXVJNWSA-N 2 0 301.478 2.609 20 0 DFADRP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)CCCC[NH+](C)C)C1 ZINC000577239751 318180724 /nfs/dbraw/zinc/18/07/24/318180724.db2.gz ZFHIUADLIMJENQ-MSOLQXFVSA-N 2 0 323.525 2.831 20 0 DFADRP C[NH+](C)Cc1cc(C[NH2+]C[C@H](O)Cc2ccccc2)ccc1F ZINC000577275546 318182336 /nfs/dbraw/zinc/18/23/36/318182336.db2.gz FLLFJOXEUCCGIV-GOSISDBHSA-N 2 0 316.420 2.581 20 0 DFADRP CC[C@@H]1C[N@H+](C[C@@H](O)C[NH+](C)CC)CC[C@H]1c1ccccc1 ZINC000577454581 318193459 /nfs/dbraw/zinc/19/34/59/318193459.db2.gz NRJKOJKMFBTEHW-NZSAHSFTSA-N 2 0 304.478 2.815 20 0 DFADRP C[C@@H]([NH3+])C[C@H](C)NC(=O)NCC1([NH+]2CCCCC2)CCCCC1 ZINC000577509799 318198285 /nfs/dbraw/zinc/19/82/85/318198285.db2.gz BWJMYWPLQSPNQZ-CVEARBPZSA-N 2 0 324.513 2.600 20 0 DFADRP CC(=O)Nc1cccc(CN2CCCC[C@H]2[C@@H]2CCC[NH2+]2)c1 ZINC000577594954 318203888 /nfs/dbraw/zinc/20/38/88/318203888.db2.gz QWEUVMIZXNGSCW-ROUUACIJSA-N 2 0 301.434 2.752 20 0 DFADRP Cc1cccc(C)c1OC[C@H](O)C[NH2+][C@H](C)C(C)(C)C[NH+](C)C ZINC000577622809 318206159 /nfs/dbraw/zinc/20/61/59/318206159.db2.gz SEOISXARUUCZCK-IAGOWNOFSA-N 2 0 322.493 2.609 20 0 DFADRP C[C@H](C[NH2+][C@H]1CC[NH2+]CC[C@H]1C)c1nc(-c2ccccc2)no1 ZINC000577740103 318213892 /nfs/dbraw/zinc/21/38/92/318213892.db2.gz GOZONXDGSVOFHU-FMKPAKJESA-N 2 0 314.433 2.818 20 0 DFADRP C[C@H]([NH2+][C@@H]1CCN(c2c(F)cccc2F)C1)[C@@H]1CCC[NH2+]C1 ZINC000577829013 318219516 /nfs/dbraw/zinc/21/95/16/318219516.db2.gz HKMFYDITCRBCIB-BFHYXJOUSA-N 2 0 309.404 2.521 20 0 DFADRP COc1cncc(/C=C\CC[N@@H+]2CCC[C@H]([NH+](C)C)CC2)c1 ZINC000577949963 318227833 /nfs/dbraw/zinc/22/78/33/318227833.db2.gz MMDLQOAOYOFDSY-IMXKFXGHSA-N 2 0 303.450 2.910 20 0 DFADRP C[C@@H]1C[C@H]([NH2+][C@H]2CC3(CC[NH+](C)CC3)Oc3ccccc32)CO1 ZINC000577952262 318227924 /nfs/dbraw/zinc/22/79/24/318227924.db2.gz ARLHVITXOHGEMY-VYDXJSESSA-N 2 0 316.445 2.742 20 0 DFADRP C[NH2+]CCCC(=O)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000578008485 318231677 /nfs/dbraw/zinc/23/16/77/318231677.db2.gz FDEJUXWQIRTWMO-INIZCTEOSA-N 2 0 323.868 2.593 20 0 DFADRP C[C@H](c1ccccc1)[C@@H](O)C[NH2+]C1CCC(C[NH+](C)C)CC1 ZINC000578064631 318235161 /nfs/dbraw/zinc/23/51/61/318235161.db2.gz OAIIRGCGRKQFFX-JVDULTGUSA-N 2 0 304.478 2.861 20 0 DFADRP O[C@H](C[NH2+]CC1(C2CC2)CCC1)CN1CCc2ccccc2C1 ZINC000578187148 318243381 /nfs/dbraw/zinc/24/33/81/318243381.db2.gz RARDWRKDJGGRNF-LJQANCHMSA-N 2 0 314.473 2.576 20 0 DFADRP CC[NH+](CC)CCC[C@H](C)NC(=O)[C@@H]1CCCCCC[C@@H]1[NH3+] ZINC000578321026 318252657 /nfs/dbraw/zinc/25/26/57/318252657.db2.gz PWBUCPRDKJLERI-BBWFWOEESA-N 2 0 311.514 2.911 20 0 DFADRP Cc1ccccc1[C@H](C)NC(=O)[C@H](C)[NH+]1CCC(CC[NH3+])CC1 ZINC000578329717 318254063 /nfs/dbraw/zinc/25/40/63/318254063.db2.gz LJKIKCJPLHOZKM-HOTGVXAUSA-N 2 0 317.477 2.622 20 0 DFADRP CC(C)[N@@H+]1CCC[C@@H](C[NH2+]C[C@H](O)[C@H](C)c2ccccc2)C1 ZINC000578618583 318273052 /nfs/dbraw/zinc/27/30/52/318273052.db2.gz HXGUAVGJIYASFX-AOIWGVFYSA-N 2 0 304.478 2.861 20 0 DFADRP C[NH+](C)[C@H](CNC(=O)[C@@H]1CCC[C@@H]([NH3+])C1)c1ccc(Cl)cc1 ZINC000578745387 318282273 /nfs/dbraw/zinc/28/22/73/318282273.db2.gz RQGMOTKQJLGWEF-FVQBIDKESA-N 2 0 323.868 2.576 20 0 DFADRP C[C@H](c1ccccc1)[C@H](O)C[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000578981623 318299547 /nfs/dbraw/zinc/29/95/47/318299547.db2.gz PSCGQSYIIJUYGS-JUFRUHRKSA-N 2 0 302.462 2.756 20 0 DFADRP [NH3+]C1C[C@H]2CCC[C@@H](C1)C2[NH2+]C1CCC(O)(C(F)(F)F)CC1 ZINC000579100091 318307071 /nfs/dbraw/zinc/30/70/71/318307071.db2.gz IZITZDIWRAMCMR-BFMWQETRSA-N 2 0 320.399 2.718 20 0 DFADRP CCc1cccc(OCC[NH+]2CCC([C@@H]3CC[NH2+]C3)CC2)c1 ZINC000579123809 318309019 /nfs/dbraw/zinc/30/90/19/318309019.db2.gz WNNZUHIZRNJWJC-GOSISDBHSA-N 2 0 302.462 2.949 20 0 DFADRP COc1cncc(/C=C\CC[N@@H+]2CC[C@H](c3nccn3C)C2)c1 ZINC000579254449 318318294 /nfs/dbraw/zinc/31/82/94/318318294.db2.gz JTCBDAKCPOREIQ-IMMZDGJCSA-N 2 0 312.417 2.717 20 0 DFADRP C[N@@H+]1CCC[C@@H](CNCc2cnccn2)[C@H]1c1cccs1 ZINC000579325003 318322488 /nfs/dbraw/zinc/32/24/88/318322488.db2.gz GHAQDGDHMNIOSX-BBRMVZONSA-N 2 0 302.447 2.711 20 0 DFADRP C[C@H]([NH2+]CCOc1ccc(Cl)c(F)c1)[C@@H]1CCC[NH2+]C1 ZINC000579341999 318323486 /nfs/dbraw/zinc/32/34/86/318323486.db2.gz IUTXGXIBFBSBRS-NWDGAFQWSA-N 2 0 300.805 2.836 20 0 DFADRP C[C@H]1CN(CCC(=O)Nc2ccccc2-c2ccccc2)C[C@H]1[NH3+] ZINC000579574127 318339839 /nfs/dbraw/zinc/33/98/39/318339839.db2.gz BKKOAJQUUAMBQU-MAUKXSAKSA-N 2 0 323.440 2.961 20 0 DFADRP C[N@H+](CCC(=O)NC1C[C@H]2CCC[C@@H](C1)[NH+]2C)C1CCCCC1 ZINC000579661087 318344960 /nfs/dbraw/zinc/34/49/60/318344960.db2.gz KSKZUOOPENSPNX-ZNXRZULTSA-N 2 0 321.509 2.773 20 0 DFADRP Cc1ccc(OC[C@@H](O)C[NH2+]C2CC[NH+](C(C)C)CC2)c(C)c1 ZINC000019838623 323208487 /nfs/dbraw/zinc/20/84/87/323208487.db2.gz BMUIMMHPIYQYGV-SFHVURJKSA-N 2 0 320.477 2.506 20 0 DFADRP C[N@H+](CC[C@@H]1CCC[NH2+]C1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000382719582 323301297 /nfs/dbraw/zinc/30/12/97/323301297.db2.gz KFBPHPZJVAUGHM-ICSRJNTNSA-N 3 0 315.505 2.830 20 0 DFADRP C[C@H](NC[C@H](c1ccccc1)[NH+]1CCCC1)[C@@H]1CCCC[NH2+]1 ZINC000386629948 323319641 /nfs/dbraw/zinc/31/96/41/323319641.db2.gz ZXKTZIGTATWQIH-YTQUADARSA-N 2 0 301.478 2.944 20 0 DFADRP C[N@H+](Cc1ccccc1)C1(CN[C@@H]2CCC[C@H]2C[NH3+])CCC1 ZINC000386803424 323321410 /nfs/dbraw/zinc/32/14/10/323321410.db2.gz CDKXCSZHZLKKOE-ZWKOTPCHSA-N 2 0 301.478 2.758 20 0 DFADRP C[NH2+][C@H](CC(C)(C)C)C(=O)N[C@H](C)C[N@H+](C)Cc1ccccc1 ZINC000387494153 323325642 /nfs/dbraw/zinc/32/56/42/323325642.db2.gz AZVXJSLAKOGOIW-NVXWUHKLSA-N 2 0 319.493 2.647 20 0 DFADRP COc1cc(C[N@H+](C)CC2CC[NH2+]CC2)ccc1OC(F)F ZINC000388094988 323328810 /nfs/dbraw/zinc/32/88/10/323328810.db2.gz VZELXBRDFLEPST-UHFFFAOYSA-N 2 0 314.376 2.728 20 0 DFADRP CC[NH+](CC)CCC[C@H](C)NC(=O)[C@H]1C[NH2+]Cc2ccccc21 ZINC000390913348 323343366 /nfs/dbraw/zinc/34/33/66/323343366.db2.gz ZSWMDLXHXAROBY-YJBOKZPZSA-N 2 0 317.477 2.500 20 0 DFADRP COc1cc2c(cc1C[N@@H+]1C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C1)O[C@@H](C)C2 ZINC000391512670 323346569 /nfs/dbraw/zinc/34/65/69/323346569.db2.gz QOQPXIRWSWIBPZ-CLROSIBMSA-N 2 0 316.445 2.578 20 0 DFADRP C[C@H]([NH2+]CC1(O)CC[NH+](C)CC1)C12CC3CC(CC(C3)C1)C2 ZINC000397516382 323355739 /nfs/dbraw/zinc/35/57/39/323355739.db2.gz SDFODMXSBPLAIY-NUVRTYOOSA-N 2 0 306.494 2.638 20 0 DFADRP CC[NH+]1C[C@H](C)N(C(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)[C@@H](C)C1 ZINC000580345499 323373524 /nfs/dbraw/zinc/37/35/24/323373524.db2.gz KMAOGIQZMPUPEP-YESZJQIVSA-N 2 0 321.509 2.582 20 0 DFADRP CC(C)[C@H]1CCC[C@@H]1[NH2+]Cc1ccncc1OCC[NH+](C)C ZINC000581630791 323551932 /nfs/dbraw/zinc/55/19/32/323551932.db2.gz CXNNXYLDUNUGOZ-SJORKVTESA-N 2 0 305.466 2.936 20 0 DFADRP CC1=C[C@H](C)C[C@@H](C[NH2+]C(C)(C)CCN2CC[NH+](C)CC2)C1 ZINC000581695983 323560725 /nfs/dbraw/zinc/56/07/25/323560725.db2.gz NJACJYWGCBGDJE-FUHWJXTLSA-N 2 0 307.526 2.985 20 0 DFADRP C[C@H](CC(=O)Nc1cccc(Cl)c1)[NH2+]CC1CC[NH2+]CC1 ZINC000582481536 323679451 /nfs/dbraw/zinc/67/94/51/323679451.db2.gz RHJMHUFECRHLRV-GFCCVEGCSA-N 2 0 309.841 2.646 20 0 DFADRP CC(C)C[C@H](CNC(=O)C(C)(C)C[NH3+])[NH2+][C@H](C)c1ccccc1 ZINC000583750770 323907006 /nfs/dbraw/zinc/90/70/06/323907006.db2.gz MHKUCXDDDGJXHQ-NVXWUHKLSA-N 2 0 319.493 2.853 20 0 DFADRP C[C@H]([NH2+][C@H]1CCCN(c2cccc(F)c2)C1)[C@@H]1CCC[NH2+]C1 ZINC000583928698 323936600 /nfs/dbraw/zinc/93/66/00/323936600.db2.gz ZYHVCIMKPYRDKY-UXLLHSPISA-N 2 0 305.441 2.772 20 0 DFADRP CC(C)CCN(CCC(C)C)C(=O)CN1CC[C@H]([NH3+])C[C@H]1C ZINC000584358690 337102412 /nfs/dbraw/zinc/10/24/12/337102412.db2.gz FEOQPKZBDDNSOO-SJORKVTESA-N 2 0 311.514 2.719 20 0 DFADRP C[N@H+](CCN1CC[NH+](Cc2ccccc2)CC1)CC1(C)CC1 ZINC000584437563 337325207 /nfs/dbraw/zinc/32/52/07/337325207.db2.gz NIOYJSHIKWMHQY-UHFFFAOYSA-N 2 0 301.478 2.536 20 0 DFADRP CC[N@@H+]1CC[C@@H](C[NH2+][C@H](C)c2cncc(Br)c2)C1 ZINC000584540619 337359657 /nfs/dbraw/zinc/35/96/57/337359657.db2.gz GGCJHRDQARHWHO-NEPJUHHUSA-N 2 0 312.255 2.837 20 0 DFADRP C[C@H](CC(C)(C)C)[NH2+]Cc1cccc(C(=O)NCC[NH+](C)C)c1 ZINC000294983750 533721047 /nfs/dbraw/zinc/72/10/47/533721047.db2.gz HCGVTFOCJVRFRM-OAHLLOKOSA-N 2 0 319.493 2.892 20 0 DFADRP C[C@H]([NH2+]C[C@@]1(C)CC[N@H+](Cc2ccccc2)C1)[C@@H]1CCOC1 ZINC000309697576 533893156 /nfs/dbraw/zinc/89/31/56/533893156.db2.gz FLABFVJRIGUMIV-QXAKKESOSA-N 2 0 302.462 2.913 20 0 DFADRP C[C@H]1C[N@H+](CCC[NH2+]Cc2ccc(C(C)(C)O)cc2)CCCO1 ZINC000295667337 533939529 /nfs/dbraw/zinc/93/95/29/533939529.db2.gz IVSJFGXLWLUGER-INIZCTEOSA-N 2 0 320.477 2.505 20 0 DFADRP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CC[N@H+](CCc3ccccc3)C2)[C@@H](C)O1 ZINC000294722136 533952024 /nfs/dbraw/zinc/95/20/24/533952024.db2.gz BXYOFMOFIUMYTQ-FPAYPSAMSA-N 2 0 302.462 2.707 20 0 DFADRP C[C@]1(C[NH2+]C2CCN(c3cc[nH+]cc3)CC2)CCCC[C@@H]1O ZINC000297322979 534175801 /nfs/dbraw/zinc/17/58/01/534175801.db2.gz CKQGJRRFLNAALX-ZWKOTPCHSA-N 2 0 303.450 2.581 20 0 DFADRP CCCC[C@@H]([NH3+])C(=O)NC[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000154547289 521068276 /nfs/dbraw/zinc/06/82/76/521068276.db2.gz SYAWWQIGIKCNJA-GDBMZVCRSA-N 2 0 323.506 2.594 20 0 DFADRP CC[C@@H](C)[C@H](O)C[NH2+][C@@H](C)c1ccc(OCC[NH+](C)C)cc1 ZINC000163910685 522395405 /nfs/dbraw/zinc/39/54/05/522395405.db2.gz BXTLMLQNYSAWSD-RVKKMQEKSA-N 2 0 308.466 2.685 20 0 DFADRP C[N@@H+]1CC[C@@H](CNC(=O)CC(C)(C)[NH3+])[C@H]1c1cccc(Cl)c1 ZINC000366324713 523958278 /nfs/dbraw/zinc/95/82/78/523958278.db2.gz BAUJMTUHVAAOFL-XJKSGUPXSA-N 2 0 323.868 2.576 20 0 DFADRP C[N@@H+]1CC[C@H]([NH2+]CCN2CCc3ccccc3C2)[C@@H]2CCC[C@H]21 ZINC000367616179 523988180 /nfs/dbraw/zinc/98/81/80/523988180.db2.gz LKJJSPCPCXGCAU-SLFFLAALSA-N 2 0 313.489 2.507 20 0 DFADRP C[C@@H]1CCCC[N@@H+]1CCC1CCN(C(=O)[C@@H]2CCC[NH+]2C)CC1 ZINC000157591218 524097205 /nfs/dbraw/zinc/09/72/05/524097205.db2.gz YLYZLFMNWUXMJX-AEFFLSMTSA-N 2 0 321.509 2.584 20 0 DFADRP C[C@H](CCCC(F)(F)F)[NH2+]C1CCN(CC[NH+](C)C)CC1 ZINC000359636855 524134549 /nfs/dbraw/zinc/13/45/49/524134549.db2.gz JHCHKAOXXMFJEY-CYBMUJFWSA-N 2 0 309.420 2.723 20 0 DFADRP COc1cccc([C@H](C)[NH2+]CCCC[N@@H+]2CCC[C@@H]2CO)c1 ZINC000177322545 524153100 /nfs/dbraw/zinc/15/31/00/524153100.db2.gz RXORZUQGMLUISJ-DOTOQJQBSA-N 2 0 306.450 2.583 20 0 DFADRP C[C@H](CNC(=O)c1cccc(C[NH+](C)C)c1)[NH+]1CCC(C)CC1 ZINC000155992274 524467250 /nfs/dbraw/zinc/46/72/50/524467250.db2.gz HHZWMTQXKHANFA-MRXNPFEDSA-N 2 0 317.477 2.598 20 0 DFADRP C[C@H](C[NH2+][C@@H]1CC[N@H+](C[C@H]2CCCO2)C[C@@H]1C)c1nccs1 ZINC000365046490 524498149 /nfs/dbraw/zinc/49/81/49/524498149.db2.gz VJZSJZJRJPNNOQ-QKPAOTATSA-N 2 0 323.506 2.726 20 0 DFADRP C[C@@H](CN1CC[NH+](C)CC1)[NH2+][C@H]1CC[C@H](c2ccccc2)C1 ZINC000131316774 524619630 /nfs/dbraw/zinc/61/96/30/524619630.db2.gz IILIHDBVYOFJGK-WDSOQIARSA-N 2 0 301.478 2.548 20 0 DFADRP O=C(NCCC[C@H]1CCC[NH2+]1)c1cccc(C[NH+]2CCCC2)c1 ZINC000294822041 534848940 /nfs/dbraw/zinc/84/89/40/534848940.db2.gz KRWGQJGBVVDAQR-GOSISDBHSA-N 2 0 315.461 2.544 20 0 DFADRP CCCC[C@@H]([NH3+])C(=O)Nc1cc(C[NH3+])cc(C(F)(F)F)c1 ZINC000362585242 534901386 /nfs/dbraw/zinc/90/13/86/534901386.db2.gz CHBKOEWLAHRCBN-GFCCVEGCSA-N 2 0 303.328 2.620 20 0 DFADRP Cc1noc(C2CCC([NH2+]CCCC[NH+]3CCCC3)CC2)n1 ZINC000366513427 526584289 /nfs/dbraw/zinc/58/42/89/526584289.db2.gz KJOVTVRDKQDAQP-UHFFFAOYSA-N 2 0 306.454 2.870 20 0 DFADRP Cc1nc2ccccc2n1CC[NH2+][C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@H]21 ZINC000367613175 527169760 /nfs/dbraw/zinc/16/97/60/527169760.db2.gz BRUNJJWXJUIQGG-LZLYRXPVSA-N 2 0 312.461 2.807 20 0 DFADRP CC[N@@H+]1CC[C@H](N[C@@H]2CC[C@H]3C[NH+](Cc4ccccc4)C[C@H]32)C1 ZINC000328297752 527886646 /nfs/dbraw/zinc/88/66/46/527886646.db2.gz WQVCEHPNWLUWGJ-VNTMZGSJSA-N 2 0 313.489 2.581 20 0 DFADRP CC(C)CNC(=[NH2+])NC[C@@]1(C)CC[N@H+](Cc2ccccc2)C1 ZINC000309661881 528030122 /nfs/dbraw/zinc/03/01/22/528030122.db2.gz MQBSTKGBKISVET-GOSISDBHSA-N 2 0 302.466 2.669 20 0 DFADRP CC[NH+](CC)CCCNC(=O)c1cccc(C[NH+]2CCCC2)c1 ZINC000299226872 528111200 /nfs/dbraw/zinc/11/12/00/528111200.db2.gz XKYZWIHLBGXMJC-UHFFFAOYSA-N 2 0 317.477 2.744 20 0 DFADRP CCC[NH+]1CCC([N@H+](C)C[C@H](O)Cc2ccc(F)cc2)CC1 ZINC000292875971 528195121 /nfs/dbraw/zinc/19/51/21/528195121.db2.gz SXYUEWGPARQCKD-GOSISDBHSA-N 2 0 308.441 2.535 20 0 DFADRP CC[NH+](CC)[C@@H](CNC(=O)[C@]1(CC)CC[NH2+]C1)c1ccccc1 ZINC000320491462 528244266 /nfs/dbraw/zinc/24/42/66/528244266.db2.gz VUKVVFYTYXZRHJ-PKOBYXMFSA-N 2 0 317.477 2.575 20 0 DFADRP CC[NH+](CC)[C@H](C(=O)NCCC[C@H]1CCC[NH2+]1)c1ccccc1 ZINC000294841404 528260779 /nfs/dbraw/zinc/26/07/79/528260779.db2.gz MRECBJDOCIPTJX-MSOLQXFVSA-N 2 0 317.477 2.718 20 0 DFADRP CCCC[NH+]1CCC([NH2+][C@H]2CCO[C@@H](C(F)(F)F)C2)CC1 ZINC000314557655 528462018 /nfs/dbraw/zinc/46/20/18/528462018.db2.gz AFAQQHOALNUDCZ-UONOGXRCSA-N 2 0 308.388 2.950 20 0 DFADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2ccncc2C)[C@H](C)C1 ZINC000294710739 528667716 /nfs/dbraw/zinc/66/77/16/528667716.db2.gz BIXPYHRZFMACEI-AEFFLSMTSA-N 2 0 305.466 2.617 20 0 DFADRP CC[NH+]1CCC(CC[NH2+]C2CCN(c3cc[nH+]cc3)CC2)CC1 ZINC000297585698 528968265 /nfs/dbraw/zinc/96/82/65/528968265.db2.gz ITUHJXLUEKRYGS-UHFFFAOYSA-N 3 0 316.493 2.762 20 0 DFADRP CC[C@@H]([NH2+]CC1=CC[N@H+](C)CC1)c1ccc(C(=O)OC)cc1 ZINC000294708891 529158374 /nfs/dbraw/zinc/15/83/74/529158374.db2.gz JKEUGLLNVZFUPI-QGZVFWFLSA-N 2 0 302.418 2.776 20 0 DFADRP CC1(C)[C@H](O)C[C@H]1[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000248886123 535092943 /nfs/dbraw/zinc/09/29/43/535092943.db2.gz MCBIZNMAKSZKKG-RHQZKXFESA-N 2 0 314.473 2.931 20 0 DFADRP CC[NH+](CC)CCO[C@@H]1CC[N@@H+]([C@H]2C[C@@H]2c2ccccc2)C1 ZINC000361310529 535549240 /nfs/dbraw/zinc/54/92/40/535549240.db2.gz TUZLURCSAPJHPC-QRVBRYPASA-N 2 0 302.462 2.975 20 0 DFADRP CCOc1ccc(C(C)=O)cc1C[NH+]1CCC([C@@H](C)[NH3+])CC1 ZINC000262009129 535710705 /nfs/dbraw/zinc/71/07/05/535710705.db2.gz WFOLNCLVBCDQOD-CYBMUJFWSA-N 2 0 304.434 2.847 20 0 DFADRP CC[N@H+](Cc1ccc(C(=O)NCC(C)(C)[NH+](C)C)cc1)C1CC1 ZINC000357466375 535782230 /nfs/dbraw/zinc/78/22/30/535782230.db2.gz AIQQOGZBUUJZBJ-UHFFFAOYSA-N 2 0 317.477 2.741 20 0 DFADRP CC[C@@H](O)CC[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000245663204 535812186 /nfs/dbraw/zinc/81/21/86/535812186.db2.gz GEZZYKZWBUGRKO-AKHDSKFASA-N 2 0 302.462 2.933 20 0 DFADRP CC[C@H](C)[C@@H]([NH3+])C(=O)NC[C@H](c1ccccc1)[NH+](CC)CC ZINC000261599519 535847175 /nfs/dbraw/zinc/84/71/75/535847175.db2.gz BDWUREOBVUQZRN-USXIJHARSA-N 2 0 305.466 2.559 20 0 DFADRP C[NH+](C)CCOc1cccc(N[C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)c1 ZINC000261668951 535912916 /nfs/dbraw/zinc/91/29/16/535912916.db2.gz HAPOHUNFOXXFFV-IPMKNSEASA-N 2 0 317.477 2.960 20 0 DFADRP CC[C@H](C)[C@H]([NH3+])C(=O)NC1CC[NH+](CC2CCCCC2)CC1 ZINC000361725889 535952390 /nfs/dbraw/zinc/95/23/90/535952390.db2.gz GLNSDMYWKQIJGG-YOEHRIQHSA-N 2 0 309.498 2.521 20 0 DFADRP C[NH+](C)Cc1cc(C[NH2+][C@H]2CCC23CCOCC3)ccc1F ZINC000367086862 535991607 /nfs/dbraw/zinc/99/16/07/535991607.db2.gz NIIASKZRXMVNLN-KRWDZBQOSA-N 2 0 306.425 2.936 20 0 DFADRP C[NH+](C)Cc1cccc(C(=O)NCC2([NH3+])CCCCCC2)c1 ZINC000237055424 536025762 /nfs/dbraw/zinc/02/57/62/536025762.db2.gz ADOGMFMQLIEGPY-UHFFFAOYSA-N 2 0 303.450 2.530 20 0 DFADRP C[N@H+](CCC(=O)Nc1cccc(Cl)c1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000262007105 536307286 /nfs/dbraw/zinc/30/72/86/536307286.db2.gz VYHDOGHYUCROJF-XYPWUTKMSA-N 2 0 321.852 2.883 20 0 DFADRP COC(=O)C[C@@H]1CC[C@@H]([NH2+]C2CCC(C[NH+](C)C)CC2)[C@H]1C ZINC000354487143 536317583 /nfs/dbraw/zinc/31/75/83/536317583.db2.gz ZBSPPNUMXCXAOJ-NSPSMMDPSA-N 2 0 310.482 2.674 20 0 DFADRP C[NH+]1CCC(C(=O)Nc2ccc(CC[NH+]3CCCC3)cc2)CC1 ZINC000174752257 536334890 /nfs/dbraw/zinc/33/48/90/536334890.db2.gz KJHLELNBSLOTHI-UHFFFAOYSA-N 2 0 315.461 2.605 20 0 DFADRP C[N@H+](Cc1ccccc1)CC(C)(C)CN1CC[C@]2(CC[NH2+]C2)C1 ZINC000262030982 536479972 /nfs/dbraw/zinc/47/99/72/536479972.db2.gz OCGIXLLCLKKJJJ-FQEVSTJZSA-N 2 0 315.505 2.830 20 0 DFADRP COC[C@@H](CCC[NH3+])[NH2+]CCc1ccc(Cl)cc1Cl ZINC000234720569 536595132 /nfs/dbraw/zinc/59/51/32/536595132.db2.gz OQSVNUCAIWFCFN-CYBMUJFWSA-N 2 0 305.249 2.879 20 0 DFADRP COc1cccc(C[C@@H](C)[NH2+]CC(C)(C)C[NH+]2CCCC2)n1 ZINC000357845081 537113484 /nfs/dbraw/zinc/11/34/84/537113484.db2.gz GLSGWSMZRCFNMB-OAHLLOKOSA-N 2 0 305.466 2.733 20 0 DFADRP CC[NH+](CC)CCOCC[NH2+]Cc1cccc2cnccc21 ZINC000680484150 545501266 /nfs/dbraw/zinc/50/12/66/545501266.db2.gz VCCZOYSXTSKOEZ-UHFFFAOYSA-N 2 0 301.434 2.683 20 0 DFADRP CC[C@H](C(=O)N1C[C@@H]2CCCC[N@@H+]2C[C@H]1CC)[NH+](CC)CC ZINC000680868952 545555205 /nfs/dbraw/zinc/55/52/05/545555205.db2.gz BPQKYQVDAHXOBO-IXDOHACOSA-N 2 0 309.498 2.582 20 0 DFADRP CC[C@@H]1C[N@@H+]2CCCC[C@@H]2CN1C(=O)[C@@H](C)[NH2+]C(C)(C)CC ZINC000681304966 545626245 /nfs/dbraw/zinc/62/62/45/545626245.db2.gz VNXGKEIKHWLKQF-BZUAXINKSA-N 2 0 309.498 2.628 20 0 DFADRP Cc1ncc([C@@H](C)[NH+]2CCC(C[NH+]3CCCC3)CC2)c(C)n1 ZINC000681662627 545694177 /nfs/dbraw/zinc/69/41/77/545694177.db2.gz IDFMXINHGVLOAI-OAHLLOKOSA-N 2 0 302.466 2.962 20 0 DFADRP CC[C@]1(CO)CCC[N@H+](Cc2ccc(OCC[NH+](C)C)cc2)C1 ZINC000681755451 545717099 /nfs/dbraw/zinc/71/70/99/545717099.db2.gz VIBWBECWPAGFMM-IBGZPJMESA-N 2 0 320.477 2.612 20 0 DFADRP CCC[NH+]1CCC([NH2+][C@H]2CCCO[C@@H]2c2cnn(CC)c2)CC1 ZINC000681916654 545752299 /nfs/dbraw/zinc/75/22/99/545752299.db2.gz ZWELOWJRJZUMDA-ZWKOTPCHSA-N 2 0 320.481 2.587 20 0 DFADRP C[C@@H]([NH2+]CC1CCN(CC(F)(F)F)CC1)C1CC[NH+](C)CC1 ZINC000682142308 545804017 /nfs/dbraw/zinc/80/40/17/545804017.db2.gz QJGCEQHHRDBETK-CYBMUJFWSA-N 2 0 321.431 2.581 20 0 DFADRP C[C@H]([NH2+][C@@H]1CCCN(C2CCCCC2)C1=O)C1CC[NH+](C)CC1 ZINC000682376773 545833754 /nfs/dbraw/zinc/83/37/54/545833754.db2.gz HIDWGWHSJTXXBN-MAUKXSAKSA-N 2 0 321.509 2.630 20 0 DFADRP C[C@H](O)[C@@H]1C[C@H](C)CC[N@@H+]1Cc1ccc(OCC[NH+](C)C)cc1 ZINC000682409240 545842547 /nfs/dbraw/zinc/84/25/47/545842547.db2.gz LHLOGZZIFDUEET-GJYPPUQNSA-N 2 0 320.477 2.608 20 0 DFADRP C[C@@]1(CO)CCC[N@@H+]1Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000682671324 545893472 /nfs/dbraw/zinc/89/34/72/545893472.db2.gz HRPMEAIPUZGBLQ-IBGZPJMESA-N 2 0 318.461 2.508 20 0 DFADRP Cc1ccccc1CN1CCC[N@H+](CC2CC[NH2+]CC2)CC1 ZINC000682704601 545901985 /nfs/dbraw/zinc/90/19/85/545901985.db2.gz URDSPZDRSBEUDC-UHFFFAOYSA-N 2 0 301.478 2.502 20 0 DFADRP C[C@H](O)[C@@](C)(C[NH2+][C@@H](C)C1CC[NH+](C)CC1)Cc1ccccc1 ZINC000682914392 545939941 /nfs/dbraw/zinc/93/99/41/545939941.db2.gz NGODDPKPLPZARR-ABSDTBQOSA-N 2 0 318.505 2.936 20 0 DFADRP CC[C@@]1([NH2+]Cc2ccc(OCC[NH+]3CCCC3)cc2)CCOC1 ZINC000682952136 545948712 /nfs/dbraw/zinc/94/87/12/545948712.db2.gz QAWXJIXYKHYAIO-LJQANCHMSA-N 2 0 318.461 2.820 20 0 DFADRP CCCN1CCC[C@H]1c1nc(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)no1 ZINC000683581994 546065310 /nfs/dbraw/zinc/06/53/10/546065310.db2.gz SXDBHJPBHUHBNQ-DKUMPPAJSA-N 2 0 304.438 2.957 20 0 DFADRP OC[C@@H]1CCC[N@@H+]1CCCC[NH2+]Cc1ccc2cnccc2c1 ZINC000683769369 546091637 /nfs/dbraw/zinc/09/16/37/546091637.db2.gz SNJPPBQSRKLGHJ-IBGZPJMESA-N 2 0 313.445 2.561 20 0 DFADRP C[N@H+](CCC(=O)N1CCC[C@@H]1[C@H]1CCC[NH+]1C)C1CCCCC1 ZINC000684163268 546161971 /nfs/dbraw/zinc/16/19/71/546161971.db2.gz JJSLYTQGRIZUMM-QZTJIDSGSA-N 2 0 321.509 2.726 20 0 DFADRP C[NH+]1CCC(N2CC[C@H]([NH2+]Cc3ccc(C(F)F)cc3)C2)CC1 ZINC000684378923 546204674 /nfs/dbraw/zinc/20/46/74/546204674.db2.gz MHYRDLIMBVNCMO-INIZCTEOSA-N 2 0 323.431 2.882 20 0 DFADRP CCCc1ccc(C[NH2+]CCN2CC[N@H+](C)C(C)(C)C2)cc1 ZINC000685042648 546322997 /nfs/dbraw/zinc/32/29/97/546322997.db2.gz JQAYHONUXWENJA-UHFFFAOYSA-N 2 0 303.494 2.755 20 0 DFADRP CCc1ccc(C[N@H+](C)[C@@H]2CCN(C3CC[NH+](C)CC3)C2)s1 ZINC000685458038 546353562 /nfs/dbraw/zinc/35/35/62/546353562.db2.gz YROKZGRTRBSHRF-MRXNPFEDSA-N 2 0 321.534 2.911 20 0 DFADRP CN(CCC[N@H+](C)C/C=C\c1ccc(F)cc1)CC[NH+](C)C ZINC000685475854 546359037 /nfs/dbraw/zinc/35/90/37/546359037.db2.gz QNZVULFDQAXBQO-ALCCZGGFSA-N 2 0 307.457 2.654 20 0 DFADRP CC[NH+](CC)CCC[C@@H](C)[NH2+]Cc1cc(-c2nn[nH]n2)cs1 ZINC000821190134 606207065 /nfs/dbraw/zinc/20/70/65/606207065.db2.gz ZBLDVZMGOMDWRI-GFCCVEGCSA-N 2 0 322.482 2.528 20 0 DFADRP CC[NH+](CC)CCC[C@H](C)[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC000821188725 606404739 /nfs/dbraw/zinc/40/47/39/606404739.db2.gz CBARNEXEGTZFOZ-LBPRGKRZSA-N 2 0 322.482 2.528 20 0 DFADRP C[NH+](C)CCOc1ccc(C[NH2+][C@H]2[C@@H]3CCO[C@@H]3C2(C)C)cc1 ZINC000278249345 214047859 /nfs/dbraw/zinc/04/78/59/214047859.db2.gz MLCNQKCELKWPHD-BZSNNMDCSA-N 2 0 318.461 2.530 20 0 DFADRP C[NH+](C)CCc1ccc(NC(=O)[C@@](C)([NH3+])c2ccccc2)cc1 ZINC000278326163 214092580 /nfs/dbraw/zinc/09/25/80/214092580.db2.gz VQMYZMKNQAZCAA-IBGZPJMESA-N 2 0 311.429 2.603 20 0 DFADRP COc1ccc([C@@H](C)[NH2+]CCC[N@@H+]2CCCO[C@@H](C)C2)cc1F ZINC000278459497 214168138 /nfs/dbraw/zinc/16/81/38/214168138.db2.gz JAIMOMLZXPOBJS-LSDHHAIUSA-N 2 0 324.440 2.986 20 0 DFADRP COc1cc(OC)cc(OCCC[NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)c1 ZINC000181265039 199273507 /nfs/dbraw/zinc/27/35/07/199273507.db2.gz BHLZBYUXSIRBET-HUUCEWRRSA-N 2 0 322.449 2.545 20 0 DFADRP Clc1ccc2nc(C[NH2+]CC3CC[NH+](C4CC4)CC3)cn2c1 ZINC000278502726 214195365 /nfs/dbraw/zinc/19/53/65/214195365.db2.gz ODBLQYUEPQALQH-UHFFFAOYSA-N 2 0 318.852 2.952 20 0 DFADRP OC1CCC([NH2+][C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]23)CC1 ZINC000305861045 231076472 /nfs/dbraw/zinc/07/64/72/231076472.db2.gz LUHLBRUZSLPQSK-AWUBQHKLSA-N 2 0 314.473 2.790 20 0 DFADRP OCCCCC[N@H+]1C[C@@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1 ZINC000310010753 231109765 /nfs/dbraw/zinc/10/97/65/231109765.db2.gz KFEJAVSKPNNPAY-RTBURBONSA-N 2 0 302.462 2.603 20 0 DFADRP Cc1ccc(C)c(OCCC[NH+]2CCC(OCCC[NH3+])CC2)c1 ZINC000321485343 231203364 /nfs/dbraw/zinc/20/33/64/231203364.db2.gz HCTHQLCTNWARFD-UHFFFAOYSA-N 2 0 320.477 2.902 20 0 DFADRP Cc1[nH+]ccc(N2CCN(C3CC[NH+](C)CC3)[C@H](C)C2)c1Cl ZINC000355096381 282186927 /nfs/dbraw/zinc/18/69/27/282186927.db2.gz OEQKHPOJWPPJBJ-CYBMUJFWSA-N 2 0 322.884 2.648 20 0 DFADRP C[C@@H]1C[C@@H](C)C[NH+](Cc2ccc(CNC3=[NH+]CCCN3)cc2)C1 ZINC000066243401 398364099 /nfs/dbraw/zinc/36/40/99/398364099.db2.gz QGJGXTILUWLXBX-HZPDHXFCSA-N 2 0 314.477 2.603 20 0 DFADRP C[C@H](CNC(=O)CC[C@@H]([NH3+])c1ccccc1)[NH+]1CCC(C)CC1 ZINC000236723317 398363488 /nfs/dbraw/zinc/36/34/88/398363488.db2.gz NKRLYOJUQXHWRD-SJLPKXTDSA-N 2 0 317.477 2.703 20 0 DFADRP C[C@@H]([NH2+]C1(CNC(=O)C[NH2+]C2CC2)CCCC1)c1ccccc1 ZINC000237401147 398369496 /nfs/dbraw/zinc/36/94/96/398369496.db2.gz NDRBSAXSTHIQTE-OAHLLOKOSA-N 2 0 315.461 2.518 20 0 DFADRP CC(C)CC[C@H](C)[NH2+]Cc1ccc(C(=O)NCC[NH+](C)C)cc1 ZINC000090038701 185279356 /nfs/dbraw/zinc/27/93/56/185279356.db2.gz NPGCWBNQTZNHCT-INIZCTEOSA-N 2 0 319.493 2.892 20 0 DFADRP CC(C)(C)OC(=O)C1CCC([NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000092560984 185325999 /nfs/dbraw/zinc/32/59/99/185325999.db2.gz DKAGQXZHPIPCLL-FHERZECASA-N 2 0 322.493 2.961 20 0 DFADRP C[NH+](C)CCC1CC[NH+](CCC(=O)OCc2ccccc2)CC1 ZINC000181437447 199296556 /nfs/dbraw/zinc/29/65/56/199296556.db2.gz ONLWEFDSJWIWMJ-UHFFFAOYSA-N 2 0 318.461 2.784 20 0 DFADRP CCCC[C@H](COC)[NH2+]Cc1ccncc1OCCC[NH+](C)C ZINC000290450421 282961285 /nfs/dbraw/zinc/96/12/85/282961285.db2.gz VZKBDLZNEISWTM-QGZVFWFLSA-N 2 0 323.481 2.707 20 0 DFADRP CSC1(C[NH2+][C@@H](C)c2cc3n(n2)CCCC3)CC[NH+](C)CC1 ZINC000592389948 398420503 /nfs/dbraw/zinc/42/05/03/398420503.db2.gz BFVHPJDYOZGGAP-AWEZNQCLSA-N 2 0 322.522 2.697 20 0 DFADRP COC(=O)c1ccccc1C[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000592491672 398433629 /nfs/dbraw/zinc/43/36/29/398433629.db2.gz GLJQQDWOIMKBIT-HZPDHXFCSA-N 2 0 316.445 2.685 20 0 DFADRP C[C@H](CC(=O)NCC(C)(C)[N@@H+]1CCC[C@@H](C)C1)[C@H]1CCC[NH2+]C1 ZINC000263234694 398434176 /nfs/dbraw/zinc/43/41/76/398434176.db2.gz DCPHCEGQEQAIGG-ZACQAIPSSA-N 2 0 323.525 2.639 20 0 DFADRP C[C@@H]1C[NH+](CCCC[NH2+]Cc2ccc(Cl)o2)C[C@@H](C)O1 ZINC000067452826 398435882 /nfs/dbraw/zinc/43/58/82/398435882.db2.gz SLEGUOJVZJYOKF-CHWSQXEVSA-N 2 0 300.830 2.912 20 0 DFADRP CC[C@@H]([NH2+]C1CCN(c2cc[nH+]cc2)CC1)C1CCOCC1 ZINC000459447240 299108914 /nfs/dbraw/zinc/10/89/14/299108914.db2.gz UKVXFAZRFSNVDR-GOSISDBHSA-N 2 0 303.450 2.845 20 0 DFADRP C[NH+](C)CCOc1cc(C[NH2+]C2CC(C(C)(C)C)C2)ccn1 ZINC000459452736 299110365 /nfs/dbraw/zinc/11/03/65/299110365.db2.gz CJPZEVPULCZLET-UHFFFAOYSA-N 2 0 305.466 2.936 20 0 DFADRP O[C@@H]1CCC[C@H]1[NH+]1CCC([NH2+]C[C@@H]2C[C@H]2c2ccccc2)CC1 ZINC000459456270 299111056 /nfs/dbraw/zinc/11/10/56/299111056.db2.gz ZKSZVQVETJNPBW-IJXRJRJASA-N 2 0 314.473 2.758 20 0 DFADRP c1nnc(C2CC2)n1CC[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000090033658 398474274 /nfs/dbraw/zinc/47/42/74/398474274.db2.gz DRHCTTWWNBGLPE-UHFFFAOYSA-N 2 0 317.481 2.542 20 0 DFADRP C[N@H+](CC1CCN(c2cc[nH+]cc2)CC1)[C@H]1CCCC[C@@H]1O ZINC000364986971 282393379 /nfs/dbraw/zinc/39/33/79/282393379.db2.gz LLQYXADKPPCFLL-ROUUACIJSA-N 2 0 303.450 2.533 20 0 DFADRP C[C@H](C[NH2+][C@H]1CC[N@H+](C)C[C@H]1C)c1nc(-c2ccccc2)no1 ZINC000090911312 398497385 /nfs/dbraw/zinc/49/73/85/398497385.db2.gz SULWTAPPARYECR-FMKPAKJESA-N 2 0 314.433 2.770 20 0 DFADRP CC1(C)CCC[C@@](O)(C[NH2+]C2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000459527454 299125850 /nfs/dbraw/zinc/12/58/50/299125850.db2.gz YWPUJMJFUVGBTK-IBGZPJMESA-N 2 0 317.477 2.971 20 0 DFADRP CC[C@H](C)[C@H](O)C[NH2+][C@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272704213 210108400 /nfs/dbraw/zinc/10/84/00/210108400.db2.gz ZSFIHSUQQRSDTA-QFHJOOASSA-N 2 0 304.478 2.894 20 0 DFADRP Cc1ccc(CCC[N@@H+](C)CC2CC[NH+](C[C@@H](C)O)CC2)cc1 ZINC000181831420 199359197 /nfs/dbraw/zinc/35/91/97/199359197.db2.gz ZTPBQTVJOUGOJB-GOSISDBHSA-N 2 0 318.505 2.952 20 0 DFADRP c1ccc(C[N@H+]2C[C@@H]3CCC[C@H]([NH2+]C[C@H]4CCOC4)[C@H]3C2)cc1 ZINC000272681706 210085153 /nfs/dbraw/zinc/08/51/53/210085153.db2.gz NDUJZMLWGAPHQJ-FYQPLNBISA-N 2 0 314.473 2.913 20 0 DFADRP OC[C@H](C[NH2+]C1CCN(c2cc[nH+]cc2)CC1)CC1CCCC1 ZINC000459549251 299131442 /nfs/dbraw/zinc/13/14/42/299131442.db2.gz ZCMUQDMFTCPRNK-KRWDZBQOSA-N 2 0 317.477 2.829 20 0 DFADRP C[C@H](NC[C@@H]1CCC[N@@H+]1C)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000272674585 210078544 /nfs/dbraw/zinc/07/85/44/210078544.db2.gz QOFXJAMPHBLNSU-UHOSZYNNSA-N 2 0 301.478 2.581 20 0 DFADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+][C@H](c2cccnc2)C(C)C)CC1 ZINC000091320873 398526610 /nfs/dbraw/zinc/52/66/10/398526610.db2.gz LMMJZQZNSFRAML-HKUYNNGSSA-N 2 0 318.509 2.642 20 0 DFADRP CC[NH+](CC)Cc1cccc(NC(=O)C[C@H]2CCC[NH2+]C2)c1 ZINC000315823575 398528176 /nfs/dbraw/zinc/52/81/76/398528176.db2.gz GXMMQCYQWGFZNU-OAHLLOKOSA-N 2 0 303.450 2.857 20 0 DFADRP C[NH+](C)Cc1ccc(C(=O)Nc2cnn(-c3cc[nH+]cc3)c2)cc1 ZINC000589133053 398529401 /nfs/dbraw/zinc/52/94/01/398529401.db2.gz KSEDSZAHYIWXHP-UHFFFAOYSA-N 2 0 321.384 2.581 20 0 DFADRP CCO[C@@H]1C[C@H]([NH2+]CCCCC[NH+]2CCCC2)[C@H]1SC ZINC000459585354 299141429 /nfs/dbraw/zinc/14/14/29/299141429.db2.gz IAFHYRQVJSCQTM-ARFHVFGLSA-N 2 0 300.512 2.751 20 0 DFADRP CC[C@H]([NH2+]Cc1ccncc1OCCC[NH+](C)C)[C@H]1C[C@H]1C ZINC000414123819 295769674 /nfs/dbraw/zinc/76/96/74/295769674.db2.gz BXJNBWHSQVEXPZ-PVAVHDDUSA-N 2 0 305.466 2.936 20 0 DFADRP C[NH+]1CCC(C)(C[NH2+]Cc2cnn(Cc3ccccc3)c2)CC1 ZINC000272613496 210014888 /nfs/dbraw/zinc/01/48/88/210014888.db2.gz VAECWELXWVKHNU-UHFFFAOYSA-N 2 0 312.461 2.753 20 0 DFADRP O[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]12 ZINC000272612514 210014140 /nfs/dbraw/zinc/01/41/40/210014140.db2.gz WOBKMHWOVIVDIS-UJMXGEILSA-N 2 0 314.473 2.790 20 0 DFADRP COc1cc(C)c(C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)cc1OC ZINC000092043447 398554882 /nfs/dbraw/zinc/55/48/82/398554882.db2.gz PBOWNSDKSYBVBV-NVXWUHKLSA-N 2 0 318.461 2.928 20 0 DFADRP CC(C)[NH+]1CCC(N[C@H](C[NH+](C)C)c2ccc(F)cc2)CC1 ZINC000286973845 219251327 /nfs/dbraw/zinc/25/13/27/219251327.db2.gz IQQWYPSYHYINKH-GOSISDBHSA-N 2 0 307.457 2.891 20 0 DFADRP C[NH+](C)CCOc1ccc(C[NH2+][C@H](CCO)C(C)(C)C)cc1 ZINC000589510502 398558362 /nfs/dbraw/zinc/55/83/62/398558362.db2.gz VDOVOEBQXGHONW-QGZVFWFLSA-N 2 0 308.466 2.514 20 0 DFADRP C[C@@H](c1cccc2ccccc21)[NH+]1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000323624265 398560637 /nfs/dbraw/zinc/56/06/37/398560637.db2.gz OJIPKQXUGAVYME-FUHWJXTLSA-N 2 0 309.457 2.880 20 0 DFADRP C[C@H](c1cccc2ccccc21)[NH+]1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000323624267 398560913 /nfs/dbraw/zinc/56/09/13/398560913.db2.gz OJIPKQXUGAVYME-SJLPKXTDSA-N 2 0 309.457 2.880 20 0 DFADRP C[NH+](C)C[C@H]1CC[N@H+](C[C@@H](O)Cc2ccc3ccccc3c2)C1 ZINC000279818758 215172950 /nfs/dbraw/zinc/17/29/50/215172950.db2.gz YAXQGVRYVLYOOP-XLIONFOSSA-N 2 0 312.457 2.627 20 0 DFADRP CC(C)[C@@H]1C[C@H]([NH2+]Cc2ccnc(OCC[NH+](C)C)c2)CS1 ZINC000277343058 213459482 /nfs/dbraw/zinc/45/94/82/213459482.db2.gz VFMVTUQMUQDZSY-HOTGVXAUSA-N 2 0 323.506 2.642 20 0 DFADRP CCOC(=O)[C@@H]1CC[C@@H]([NH2+]Cc2ccc(C[NH3+])cc2F)C[C@@H]1C ZINC000593317155 398596657 /nfs/dbraw/zinc/59/66/57/398596657.db2.gz RFJOWMGDRJTCDM-APHBMKBZSA-N 2 0 322.424 2.742 20 0 DFADRP CCOC(=O)c1oc2c(c1C)[C@H]([NH2+]CCC1(C[NH3+])CC1)CCC2 ZINC000593319537 398597469 /nfs/dbraw/zinc/59/74/69/398597469.db2.gz MQJDBRBQYRNWLK-CYBMUJFWSA-N 2 0 320.433 2.861 20 0 DFADRP CCOC(=O)c1oc2c(c1C)[C@@H]([NH2+]CCC1(C[NH3+])CC1)CCC2 ZINC000593319538 398597749 /nfs/dbraw/zinc/59/77/49/398597749.db2.gz MQJDBRBQYRNWLK-ZDUSSCGKSA-N 2 0 320.433 2.861 20 0 DFADRP CN(Cc1ccccc1)C[C@@H](O)C[N@H+](C)CC1CCCCC1 ZINC000590125653 398598094 /nfs/dbraw/zinc/59/80/94/398598094.db2.gz ZKAGWSHGHBLIBX-LJQANCHMSA-N 2 0 304.478 2.991 20 0 DFADRP CC(C)CCC[C@@H](C)NC(=O)C[NH+]1CCC(C[NH+](C)C)CC1 ZINC000590125968 398598337 /nfs/dbraw/zinc/59/83/37/398598337.db2.gz ZECSTTUKXPLLNN-MRXNPFEDSA-N 2 0 311.514 2.591 20 0 DFADRP CC[N@@H+]1CC[C@H](NC[C@@H](c2cccc(OC)c2)[NH+](C)C)[C@H](C)C1 ZINC000133647461 186002740 /nfs/dbraw/zinc/00/27/40/186002740.db2.gz FBOUMTGUAIKONO-MNEFBYGVSA-N 2 0 319.493 2.618 20 0 DFADRP CC(C)n1cnnc1[C@H]1CCC[N@H+](CC[C@@H]2CCC[NH+]2C)C1 ZINC000093201868 398623949 /nfs/dbraw/zinc/62/39/49/398623949.db2.gz SWONOUOJXWTPAW-HOTGVXAUSA-N 2 0 305.470 2.523 20 0 DFADRP CC[N@H+](CC(=O)NCc1cccc(C[NH+](C)C(C)C)c1)C1CC1 ZINC000152430321 186071815 /nfs/dbraw/zinc/07/18/15/186071815.db2.gz QWHAVIQTSSMQDJ-UHFFFAOYSA-N 2 0 317.477 2.627 20 0 DFADRP C[C@H](C[NH2+]CCCC[N@@H+]1CCC[C@@H]1CO)Cc1ccccc1 ZINC000152546564 186083745 /nfs/dbraw/zinc/08/37/45/186083745.db2.gz QJKHCNMMJLSEMN-PKOBYXMFSA-N 2 0 304.478 2.692 20 0 DFADRP c1cc(C[NH2+]CCCC[NH+]2CCN(c3ccccc3)CC2)c[nH]1 ZINC000175698926 186189663 /nfs/dbraw/zinc/18/96/63/186189663.db2.gz MKIUAJIBLQEKLX-UHFFFAOYSA-N 2 0 312.461 2.707 20 0 DFADRP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@H]1CC[C@@](C)(c2ccccc2)C1 ZINC000187982823 186239265 /nfs/dbraw/zinc/23/92/65/186239265.db2.gz OJDJZIVPCRPHOH-YZGWKJHDSA-N 2 0 315.505 2.722 20 0 DFADRP COCC[N@H+](C)CCCC1CC[NH+](Cc2cncc(C)c2)CC1 ZINC000189982089 186258703 /nfs/dbraw/zinc/25/87/03/186258703.db2.gz NEDIFMCREXVBMJ-UHFFFAOYSA-N 2 0 319.493 2.960 20 0 DFADRP C[C@H]([NH2+][C@H]1CCC[C@@H]1CCO)c1cccc(OCC[NH+](C)C)c1 ZINC000188025478 186245856 /nfs/dbraw/zinc/24/58/56/186245856.db2.gz PVHOVTORFXHQLN-FCEWJHQRSA-N 2 0 320.477 2.829 20 0 DFADRP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)C1[NH2+]CCn1cccn1 ZINC000189947557 186253199 /nfs/dbraw/zinc/25/31/99/186253199.db2.gz OYVUDLMUYIYRLX-JJTKIYQPSA-N 2 0 312.461 2.629 20 0 DFADRP CCOC(=O)CC[NH2+]C1[C@H](C)C[NH+](Cc2ccccc2)C[C@H]1C ZINC000189952060 186253841 /nfs/dbraw/zinc/25/38/41/186253841.db2.gz PEEQYMVNRAAWJC-HZPDHXFCSA-N 2 0 318.461 2.686 20 0 DFADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NCCC[NH+]1CCCC1 ZINC000268753932 186379441 /nfs/dbraw/zinc/37/94/41/186379441.db2.gz WOJCLHJEWSYKHF-UYAOXDASSA-N 2 0 315.505 2.973 20 0 DFADRP COc1cc2c(c(C[NH2+]CC[C@H]3CCC[N@H+](C)C3)c1)O[C@@H](C)C2 ZINC000459731306 299175050 /nfs/dbraw/zinc/17/50/50/299175050.db2.gz LKFMWKKSRHVBLO-LSDHHAIUSA-N 2 0 318.461 2.840 20 0 DFADRP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(-n2ccnc2)c(F)c1 ZINC000414804235 295821132 /nfs/dbraw/zinc/82/11/32/295821132.db2.gz OKZCLFURZAXTBG-GOEBONIOSA-N 2 0 302.397 2.619 20 0 DFADRP C[C@H](CC(=O)Nc1ccc(F)cc1)[NH2+][C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000414823129 295822293 /nfs/dbraw/zinc/82/22/93/295822293.db2.gz AZRVLMNZBMRGKC-RDBSUJKOSA-N 2 0 307.413 2.521 20 0 DFADRP Clc1cc(C[NH2+]C[C@@H]2CCC[NH2+]C2)cc2c1OCCCO2 ZINC000414824388 295822339 /nfs/dbraw/zinc/82/23/39/295822339.db2.gz FLDLXGDYERHDGX-GFCCVEGCSA-N 2 0 310.825 2.591 20 0 DFADRP CCCOc1c(C[NH2+]CC[C@H]2CC[NH2+]C2)cccc1OCC ZINC000414826635 295823057 /nfs/dbraw/zinc/82/30/57/295823057.db2.gz FWUJUQXEOBTMQQ-OAHLLOKOSA-N 2 0 306.450 2.963 20 0 DFADRP C[C@H]1CCC[C@H]([NH+]2CCC(NC3C[C@H]4CC[C@@H](C3)[NH2+]4)CC2)C1 ZINC000414840310 295824492 /nfs/dbraw/zinc/82/44/92/295824492.db2.gz YOERATCQGGRDBB-NFEZDNKESA-N 2 0 305.510 2.902 20 0 DFADRP Clc1ccc(-n2cc(C[NH2+]CC[C@@H]3CC[NH2+]C3)cn2)cc1 ZINC000414835331 295823927 /nfs/dbraw/zinc/82/39/27/295823927.db2.gz RNYUGVWKQZSAKB-ZDUSSCGKSA-N 2 0 304.825 2.615 20 0 DFADRP c1cc(COc2ccc(C[NH2+]C[C@@H]3CCC[NH2+]C3)cc2)ccn1 ZINC000414837794 295824168 /nfs/dbraw/zinc/82/41/68/295824168.db2.gz VWLLDPRESZXNBH-GOSISDBHSA-N 2 0 311.429 2.750 20 0 DFADRP Cc1nn(Cc2ccccc2)c(C)c1C[NH2+]CC[C@H]1CC[NH2+]C1 ZINC000414839326 295824630 /nfs/dbraw/zinc/82/46/30/295824630.db2.gz VZGDYGSEADSKAY-QGZVFWFLSA-N 2 0 312.461 2.637 20 0 DFADRP COc1cccc2c1C[C@@H]([NH2+]C1CCN(c3cc[nH+]cc3)CC1)C2 ZINC000459741379 299178841 /nfs/dbraw/zinc/17/88/41/299178841.db2.gz ZWPUTUYGTASUKE-KRWDZBQOSA-N 2 0 323.440 2.816 20 0 DFADRP CCCOc1cc(C[NH2+][C@@H](C)[C@@H]2CCC[NH2+]C2)ccc1OC ZINC000414845552 295825658 /nfs/dbraw/zinc/82/56/58/295825658.db2.gz DQAVKVJCJGJIGK-GOEBONIOSA-N 2 0 306.450 2.962 20 0 DFADRP Cc1cc(CN[C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)on1 ZINC000381769917 398659747 /nfs/dbraw/zinc/65/97/47/398659747.db2.gz QWGYFBLCIFVVDL-QXAKKESOSA-N 2 0 311.429 2.983 20 0 DFADRP COc1ccc(C[NH2+]CC[C@@H]2CCC[NH2+]C2)c(Cl)c1OC ZINC000414846802 295825436 /nfs/dbraw/zinc/82/54/36/295825436.db2.gz HZVNDYDKAUFLMV-LBPRGKRZSA-N 2 0 312.841 2.837 20 0 DFADRP C[C@H]([NH2+]Cc1cc(Cl)c2c(c1)OCCO2)[C@H]1CCC[NH2+]C1 ZINC000414846932 295825446 /nfs/dbraw/zinc/82/54/46/295825446.db2.gz FMGBBZLDBHEBET-AAEUAGOBSA-N 2 0 310.825 2.589 20 0 DFADRP CCCOc1cc(C[NH2+][C@@H](C)[C@H]2CCC[NH2+]C2)ccc1OC ZINC000414845554 295825561 /nfs/dbraw/zinc/82/55/61/295825561.db2.gz DQAVKVJCJGJIGK-HOCLYGCPSA-N 2 0 306.450 2.962 20 0 DFADRP C[C@H](Cc1ccc(Br)cc1)[NH2+]CC[C@@H]1CC[NH2+]C1 ZINC000414856684 295826698 /nfs/dbraw/zinc/82/66/98/295826698.db2.gz YXWIVFVOJRSDOV-OCCSQVGLSA-N 2 0 311.267 2.969 20 0 DFADRP Cc1nn(Cc2ccc(C)cc2)c(C)c1C[NH2+][C@@H](C)CC[NH3+] ZINC000414874329 295828857 /nfs/dbraw/zinc/82/88/57/295828857.db2.gz AUMWFMOMXSNUDA-AWEZNQCLSA-N 2 0 300.450 2.684 20 0 DFADRP Cc1nn(-c2ccc(Cl)cc2)c(C)c1C[NH2+][C@@H](C)CC[NH3+] ZINC000414894306 295831443 /nfs/dbraw/zinc/83/14/43/295831443.db2.gz KZKLRRYYWYYHRX-NSHDSACASA-N 2 0 306.841 2.969 20 0 DFADRP COc1cc(C[NH2+]C[C@@]2(C)CCC[NH2+]C2)cc(Cl)c1OC ZINC000414902566 295832538 /nfs/dbraw/zinc/83/25/38/295832538.db2.gz KSQHDQBSJCLEGP-INIZCTEOSA-N 2 0 312.841 2.837 20 0 DFADRP C[C@@H](Cc1ccc(Br)c(F)c1)[NH2+]C[C@@H]1CC[NH2+]C1 ZINC000414897968 295831816 /nfs/dbraw/zinc/83/18/16/295831816.db2.gz ALIJGQPAWMBGJG-CMPLNLGQSA-N 2 0 315.230 2.718 20 0 DFADRP CCCCCOc1cc(C[NH2+]C[C@H]2CC[NH2+]C2)ccc1OC ZINC000414920070 295835044 /nfs/dbraw/zinc/83/50/44/295835044.db2.gz YLCRTJMADPYWNP-INIZCTEOSA-N 2 0 306.450 2.963 20 0 DFADRP Cc1ccc(Cl)cc1NC(=O)C[C@@H](C)[NH2+]C[C@@H]1CC[NH2+]C1 ZINC000414917015 295834451 /nfs/dbraw/zinc/83/44/51/295834451.db2.gz QUVCRQNXZVSAIC-CHWSQXEVSA-N 2 0 309.841 2.565 20 0 DFADRP [NH3+][C@H]1CCC[C@H]([NH2+]Cc2cccc(OCC(F)(F)F)c2)C1 ZINC000414929506 295836434 /nfs/dbraw/zinc/83/64/34/295836434.db2.gz RPIHFTIEPPURFN-STQMWFEESA-N 2 0 302.340 2.987 20 0 DFADRP OC[C@@H]1CN(Cc2ccccc2)CC[C@H]1[NH2+]C1CC(C(F)F)C1 ZINC000681091083 545595419 /nfs/dbraw/zinc/59/54/19/545595419.db2.gz XGNMXDZVYPLJIE-ODZFXCKXSA-N 2 0 324.415 2.503 20 0 DFADRP COCC1(C[NH2+]Cc2ccccc2OCC2CC2)CC[NH2+]CC1 ZINC000414943100 295838283 /nfs/dbraw/zinc/83/82/83/295838283.db2.gz CNNPMQFHFSDDFZ-UHFFFAOYSA-N 2 0 318.461 2.581 20 0 DFADRP CC[NH+](CC)Cc1ccccc1CNC(=O)C1CCC([NH3+])CC1 ZINC000390695366 398672037 /nfs/dbraw/zinc/67/20/37/398672037.db2.gz CWEBLBXLBZGBMA-UHFFFAOYSA-N 2 0 317.477 2.662 20 0 DFADRP c1cc(OC[C@H]2CCCO2)ccc1C[NH2+]CCC[C@H]1CCC[NH2+]1 ZINC000414966120 295842092 /nfs/dbraw/zinc/84/20/92/295842092.db2.gz GAOFCUCAKBPFSG-PKOBYXMFSA-N 2 0 318.461 2.866 20 0 DFADRP C[C@H]1C[NH2+]CC[C@@H]1[NH2+]Cc1ccc(OCc2ccncc2)cc1 ZINC000414960444 295841351 /nfs/dbraw/zinc/84/13/51/295841351.db2.gz QSRBZYVCLWHJEX-KXBFYZLASA-N 2 0 311.429 2.748 20 0 DFADRP C[C@@H](CC(=O)Nc1cccc(F)c1)[NH2+]CCC[C@H]1CCC[NH2+]1 ZINC000414962299 295841663 /nfs/dbraw/zinc/84/16/63/295841663.db2.gz CERFRDUOQVLCMN-ZFWWWQNUSA-N 2 0 307.413 2.665 20 0 DFADRP CCC(C)(C)NC(=O)[C@H](C)[NH+]1CCC(C[N@H+](C)C(C)C)CC1 ZINC000590786175 398673540 /nfs/dbraw/zinc/67/35/40/398673540.db2.gz FNWOJIBOVMPTGE-HNNXBMFYSA-N 2 0 311.514 2.732 20 0 DFADRP CC(C)[N@H+](C)CC1CC[NH+]([C@H](C)C(=O)N2CCCCCC2)CC1 ZINC000590786829 398673791 /nfs/dbraw/zinc/67/37/91/398673791.db2.gz OAMSBUJZJXIPIR-QGZVFWFLSA-N 2 0 323.525 2.830 20 0 DFADRP CC(C)[N@H+](C)CC1CC[NH+](CC(=O)N[C@@H]2CCCC[C@@H]2C)CC1 ZINC000590786492 398674174 /nfs/dbraw/zinc/67/41/74/398674174.db2.gz FAYDWMLEQCMJJO-FUHWJXTLSA-N 2 0 323.525 2.734 20 0 DFADRP CC(C)[N@H+](C)CC1CC[NH+](CC(=O)N[C@@H]2CCCC[C@H]2C)CC1 ZINC000590786493 398674370 /nfs/dbraw/zinc/67/43/70/398674370.db2.gz FAYDWMLEQCMJJO-SJLPKXTDSA-N 2 0 323.525 2.734 20 0 DFADRP COCC[C@@H](Cc1cccc(F)c1)[NH2+]CCC[C@@H]1CCC[NH2+]1 ZINC000414981448 295843602 /nfs/dbraw/zinc/84/36/02/295843602.db2.gz XOCFNOODSQXURB-ROUUACIJSA-N 2 0 308.441 2.895 20 0 DFADRP CCc1noc(C2CCC([NH2+]CCC[C@H]3CCC[NH2+]3)CC2)n1 ZINC000414980386 295843684 /nfs/dbraw/zinc/84/36/84/295843684.db2.gz WNCZSDLVGBDKEV-SHARSMKWSA-N 2 0 306.454 2.780 20 0 DFADRP COc1cccc(C[NH2+]C[C@H]2CCC[C@@H]([NH3+])C2)c1OC(F)F ZINC000414995557 295844865 /nfs/dbraw/zinc/84/48/65/295844865.db2.gz NLZBRSFKCJTDNS-WCQYABFASA-N 2 0 314.376 2.904 20 0 DFADRP CC(C)n1ncc2cc(C[NH2+]C[C@H]3CCC[C@H]([NH3+])C3)cnc21 ZINC000414988290 295844377 /nfs/dbraw/zinc/84/43/77/295844377.db2.gz FMTVPPSKWLBEQJ-BBRMVZONSA-N 2 0 301.438 2.619 20 0 DFADRP CCC(CC)(CC)C[NH2+]C[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000414987466 295844433 /nfs/dbraw/zinc/84/44/33/295844433.db2.gz OKLZYHBTKUQFRM-CYBMUJFWSA-N 2 0 309.420 2.629 20 0 DFADRP COc1ccc(OC(F)F)c(C[NH2+]C[C@H]2CCC[C@@H]([NH3+])C2)c1 ZINC000414989459 295844581 /nfs/dbraw/zinc/84/45/81/295844581.db2.gz GYAVJWYWCIYSJO-WCQYABFASA-N 2 0 314.376 2.904 20 0 DFADRP Cc1csc(N2CCC([NH2+]C[C@H]3CCC[C@H]([NH3+])C3)CC2)n1 ZINC000415001156 295845880 /nfs/dbraw/zinc/84/58/80/295845880.db2.gz KQJZGGXANKDQBI-KBPBESRZSA-N 2 0 308.495 2.527 20 0 DFADRP COc1cc2c(c(C[NH2+]C[C@@H]3CCC[C@@H]([NH3+])C3)c1)O[C@H](C)C2 ZINC000415003110 295846231 /nfs/dbraw/zinc/84/62/31/295846231.db2.gz WOLVAAUFYPSCFD-XJKCOSOUSA-N 2 0 304.434 2.626 20 0 DFADRP COC(=O)c1cc(C[N@@H+]2CCC[C@@H](C)[C@@H]2CC[NH3+])c(C)s1 ZINC000593734051 398678943 /nfs/dbraw/zinc/67/89/43/398678943.db2.gz SCLMNGSFAJVBQP-RISCZKNCSA-N 2 0 310.463 2.792 20 0 DFADRP C[C@@H](CCC[NH3+])[NH2+]Cc1ccc(OCC(F)(F)F)c(F)c1 ZINC000415015651 295847616 /nfs/dbraw/zinc/84/76/16/295847616.db2.gz BAHPFXJWVSLDOT-JTQLQIEISA-N 2 0 308.319 2.984 20 0 DFADRP CC[N@H+](C)[C@H](C(=O)N1CCC[C@@H]([NH+](C)C)CC1)c1ccccc1 ZINC000277157648 213333385 /nfs/dbraw/zinc/33/33/85/213333385.db2.gz IZDBBMHKQHMCGI-MSOLQXFVSA-N 2 0 317.477 2.622 20 0 DFADRP C[C@@H](CCC[NH3+])[NH2+]Cc1csc(-c2ccc3c(c2)OCO3)n1 ZINC000415026394 295848257 /nfs/dbraw/zinc/84/82/57/295848257.db2.gz UEGQHGPGJYVVBE-NSHDSACASA-N 2 0 319.430 2.756 20 0 DFADRP CC[C@H](Cc1ccc(OC)c(OC)c1)[NH2+][C@@H]1CC[C@@H](C[NH3+])C1 ZINC000415031191 295849076 /nfs/dbraw/zinc/84/90/76/295849076.db2.gz GRJODLCRXROKAJ-BZUAXINKSA-N 2 0 306.450 2.742 20 0 DFADRP CCOc1cccc(C[NH2+][C@@H]2CC[C@H](C[NH3+])C2)c1OC(F)F ZINC000415040728 295850152 /nfs/dbraw/zinc/85/01/52/295850152.db2.gz PFLQZVCLXLCTBF-WCQYABFASA-N 2 0 314.376 2.904 20 0 DFADRP COc1ccc2c(c1)C[C@@H]([NH2+]CC[C@H]1CCC[N@H+](C)C1)CC2 ZINC000459791026 299194122 /nfs/dbraw/zinc/19/41/22/299194122.db2.gz ROWJZDNXQVWOAT-QAPCUYQASA-N 2 0 302.462 2.874 20 0 DFADRP CN(C)c1ncc(C[NH2+][C@@H](CCC[NH3+])c2ccccc2)s1 ZINC000415047159 295851085 /nfs/dbraw/zinc/85/10/85/295851085.db2.gz DXCOYXSQCGWTNR-HNNXBMFYSA-N 2 0 304.463 2.779 20 0 DFADRP CC[N@@H+]1CC[C@@H]([NH2+]Cc2ccc(OCCOC)cc2)[C@H](C)C1 ZINC000173362698 198207783 /nfs/dbraw/zinc/20/77/83/198207783.db2.gz RWXLGCJWELRVOJ-CRAIPNDOSA-N 2 0 306.450 2.532 20 0 DFADRP CNC(=O)c1ccc(C[NH2+][C@H](CCC[NH3+])c2ccccc2)cc1 ZINC000415051947 295851632 /nfs/dbraw/zinc/85/16/32/295851632.db2.gz KEMRLADMIIHROS-GOSISDBHSA-N 2 0 311.429 2.616 20 0 DFADRP CC(C)[C@@H]([NH2+][C@@H]1CCC[NH2+]CC1)c1ccc2c(c1)OCCO2 ZINC000415079420 295855246 /nfs/dbraw/zinc/85/52/46/295855246.db2.gz KCOZCWLHVDJNMQ-CRAIPNDOSA-N 2 0 304.434 2.887 20 0 DFADRP COc1ccc(OCC[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)cc1 ZINC000415075758 295855002 /nfs/dbraw/zinc/85/50/02/295855002.db2.gz ACBJQKPFHNCIRD-KSZLIROESA-N 2 0 304.434 2.584 20 0 DFADRP [NH3+]CC1CCC([NH2+]Cc2cccnc2OCC(F)(F)F)CC1 ZINC000415081174 295855540 /nfs/dbraw/zinc/85/55/40/295855540.db2.gz JZHOJLZNKWGFNW-UHFFFAOYSA-N 2 0 317.355 2.630 20 0 DFADRP FC(F)(F)Oc1ccccc1CC[NH2+]CC1CC[NH2+]CC1 ZINC000415080729 295855624 /nfs/dbraw/zinc/85/56/24/295855624.db2.gz JOFBZMDMBIMVMG-UHFFFAOYSA-N 2 0 302.340 2.717 20 0 DFADRP Clc1cccnc1OCC[NH2+][C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000415081817 295855684 /nfs/dbraw/zinc/85/56/84/295855684.db2.gz CHCUVZZKEQSUQT-BPLDGKMQSA-N 2 0 309.841 2.624 20 0 DFADRP C[C@@H](C[C@H]1CCC[NH2+]1)[NH2+]Cc1ccc(-n2ccnc2)c(F)c1 ZINC000415082730 295856010 /nfs/dbraw/zinc/85/60/10/295856010.db2.gz MIRBLHMXJQXDAF-DZGCQCFKSA-N 2 0 302.397 2.632 20 0 DFADRP OCC1([C@@H]([NH2+]C[C@H]2CCC[NH2+]C2)c2ccccc2)CCCC1 ZINC000415093072 295857040 /nfs/dbraw/zinc/85/70/40/295857040.db2.gz BORKOEQJCFFVSO-WMZOPIPTSA-N 2 0 302.462 2.870 20 0 DFADRP CC(C)Oc1ccc(C[NH2+]CCCN2CCC[N@H+](C)CC2)cc1 ZINC000105476494 398693838 /nfs/dbraw/zinc/69/38/38/398693838.db2.gz SJWWOPFQOBVQHB-UHFFFAOYSA-N 2 0 319.493 2.591 20 0 DFADRP COc1ccc(OCC[NH2+][C@H](C)C[C@@H]2CCCCC[NH2+]2)cc1 ZINC000415090517 295856802 /nfs/dbraw/zinc/85/68/02/295856802.db2.gz PCPWUCKSJMCKSJ-CVEARBPZSA-N 2 0 306.450 2.974 20 0 DFADRP c1cnn(Cc2cccc(C[NH2+][C@@H]3CCC[C@H]3[C@@H]3CCC[NH2+]3)c2)c1 ZINC000415089862 295856804 /nfs/dbraw/zinc/85/68/04/295856804.db2.gz YHXUIQRGLCJFFC-SLFFLAALSA-N 2 0 324.472 2.942 20 0 DFADRP CCOc1cccc(C[NH+]2CCC([C@H]3OCCC[C@H]3[NH3+])CC2)c1 ZINC000415102502 295858398 /nfs/dbraw/zinc/85/83/98/295858398.db2.gz CKCHYPAKRSEWEJ-RTBURBONSA-N 2 0 318.461 2.804 20 0 DFADRP C[C@H](C[C@H]1CCC[NH2+]1)[NH2+]CCc1nc(-c2ccccn2)cs1 ZINC000415109502 295859187 /nfs/dbraw/zinc/85/91/87/295859187.db2.gz PPSCDWLJSHUWLX-ZIAGYGMSSA-N 2 0 316.474 2.868 20 0 DFADRP Cc1cc(C[NH+]2CCC([C@H]3C[C@@H]([NH3+])CCO3)CC2)ccc1F ZINC000415121226 295860883 /nfs/dbraw/zinc/86/08/83/295860883.db2.gz HSYVLDKUSOWZTE-FUHWJXTLSA-N 2 0 306.425 2.852 20 0 DFADRP [NH3+][C@H]1CCO[C@H](C2CC[NH+](Cc3ccc(F)cc3F)CC2)C1 ZINC000415120311 295860956 /nfs/dbraw/zinc/86/09/56/295860956.db2.gz GLNIQNYZRVFRCP-RDJZCZTQSA-N 2 0 310.388 2.683 20 0 DFADRP COc1ccc(C)cc1C[NH+]1CCC([C@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000415119911 295860961 /nfs/dbraw/zinc/86/09/61/295860961.db2.gz FLVGXWHRYKXZSB-PKOBYXMFSA-N 2 0 318.461 2.722 20 0 DFADRP [NH3+][C@@H]1CCO[C@H](C2CC[NH+](C/C=C\c3ccccc3)CC2)C1 ZINC000415131060 295862515 /nfs/dbraw/zinc/86/25/15/295862515.db2.gz YKNBJHIZQQLEEF-IXXMMVOQSA-N 2 0 300.446 2.918 20 0 DFADRP COc1ccc(C[NH+]2CCC([C@H]3OCCC[C@@H]3[NH3+])CC2)cc1C ZINC000415130352 295862542 /nfs/dbraw/zinc/86/25/42/295862542.db2.gz QPQUBGPRIOWGGZ-PKOBYXMFSA-N 2 0 318.461 2.722 20 0 DFADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1[NH2+]CCCN(C)c1ccccc1F ZINC000129100345 283002033 /nfs/dbraw/zinc/00/20/33/283002033.db2.gz FWQSPXCJQLFGCE-HLLBOEOZSA-N 2 0 307.457 2.970 20 0 DFADRP CCC[C@@H]([NH3+])C(=O)Nc1ccc(C[NH+]2CCSCC2)cc1C ZINC000236799213 202014886 /nfs/dbraw/zinc/01/48/86/202014886.db2.gz MXFVKNHBUXLYTJ-OAHLLOKOSA-N 2 0 321.490 2.610 20 0 DFADRP C[NH+](C)CCN1CCC([NH2+][C@@H]2CCC[C@@H](C(F)(F)F)C2)CC1 ZINC000129250468 283008087 /nfs/dbraw/zinc/00/80/87/283008087.db2.gz KSXMOQJILHDXOI-UKRRQHHQSA-N 2 0 321.431 2.723 20 0 DFADRP CC[NH+](CC)Cc1cccc(C[NH2+]CC2(OC)CCOCC2)c1 ZINC000277003543 213232950 /nfs/dbraw/zinc/23/29/50/213232950.db2.gz KESOBDFIXSJUAT-UHFFFAOYSA-N 2 0 320.477 2.814 20 0 DFADRP Cc1nccn1CCC[N@@H+](C)Cc1nc2cc(F)ccc2o1 ZINC000130440909 283049508 /nfs/dbraw/zinc/04/95/08/283049508.db2.gz OFSDWNFDWKQIMQ-UHFFFAOYSA-N 2 0 302.353 2.994 20 0 DFADRP CCCN(CC[NH+]1CCCC1)C(=O)Nc1ccccc1C[NH2+]C ZINC000415901855 295899824 /nfs/dbraw/zinc/89/98/24/295899824.db2.gz NOKKBYPZCGTJQH-UHFFFAOYSA-N 2 0 318.465 2.746 20 0 DFADRP C[NH2+]Cc1cccc(NC(=O)N[C@H](C)C(C)(C)C[NH+](C)C)c1 ZINC000415941019 295904868 /nfs/dbraw/zinc/90/48/68/295904868.db2.gz GATZKCUOJLPJBV-CYBMUJFWSA-N 2 0 306.454 2.504 20 0 DFADRP COc1cc2c(cc1CN[C@@H]1C[C@H](C)[N@H+](C)C[C@@H]1C)O[C@H](C)C2 ZINC000132066780 283109235 /nfs/dbraw/zinc/10/92/35/283109235.db2.gz GROABNQIGXYUOE-SZOQZIPDSA-N 2 0 318.461 2.837 20 0 DFADRP CCOCCC[N@@H+]1CC[C@H](NCc2cccnc2C)[C@H](C)C1 ZINC000115628379 398754746 /nfs/dbraw/zinc/75/47/46/398754746.db2.gz OWUYXKGBAQMJNF-QAPCUYQASA-N 2 0 305.466 2.617 20 0 DFADRP C[NH+](C)CCCC(C)(C)NC(=O)Nc1ccc2c(c1)C[NH2+]C2 ZINC000416008315 295911337 /nfs/dbraw/zinc/91/13/37/295911337.db2.gz MGVZGGZSFVSZFN-UHFFFAOYSA-N 2 0 304.438 2.532 20 0 DFADRP CCC(CC)(CO)[NH2+]Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000116347538 398760644 /nfs/dbraw/zinc/76/06/44/398760644.db2.gz ZPLCVLGMSRVSHY-UHFFFAOYSA-N 2 0 320.477 2.802 20 0 DFADRP C[C@@H](CCN1CC[NH+](C)CC1)[NH2+][C@@H]1CCc2c1cc(F)cc2F ZINC000681140740 545602519 /nfs/dbraw/zinc/60/25/19/545602519.db2.gz BYXXMFLZEYGLJU-SCLBCKFNSA-N 2 0 323.431 2.568 20 0 DFADRP CC[C@@H]1CCCCN1C(=O)C[NH+]1CCC(C[NH+](CC)CC)CC1 ZINC000047976636 398766803 /nfs/dbraw/zinc/76/68/03/398766803.db2.gz GNRUBFXZHDILSJ-GOSISDBHSA-N 2 0 323.525 2.831 20 0 DFADRP CC[NH+](CC)CC1CC[NH+](CC(=O)N2[C@H](C)CCC[C@H]2C)CC1 ZINC000047973888 398766816 /nfs/dbraw/zinc/76/68/16/398766816.db2.gz DANCHUNHHGYEQV-IAGOWNOFSA-N 2 0 323.525 2.830 20 0 DFADRP CC[NH+](CC)CC1CC[NH+](CC(=O)N[C@H]2CCCC[C@H]2C)CC1 ZINC000047977282 398767413 /nfs/dbraw/zinc/76/74/13/398767413.db2.gz SGHLEDAMKBGUAY-AEFFLSMTSA-N 2 0 323.525 2.735 20 0 DFADRP CCc1ccc([C@H](CN[C@H]2CC[N@H+](C)C[C@@H]2C)[NH+](C)C)cc1 ZINC000133851215 283164346 /nfs/dbraw/zinc/16/43/46/283164346.db2.gz ZQUSJUIYOXUYFG-SNRMKQJTSA-N 2 0 303.494 2.782 20 0 DFADRP CC1=CCC[C@H](C)[C@H]1C[NH2+]C[C@@H](C(C)C)N1CC[NH+](C)CC1 ZINC000133976628 283168748 /nfs/dbraw/zinc/16/87/48/283168748.db2.gz KBNASPYJLIHTAY-FHWLQOOXSA-N 2 0 307.526 2.840 20 0 DFADRP CCC[N@H+](C)C[C@@H]1CC[NH+](CCc2ccc3c(c2)CCO3)C1 ZINC000081516936 192276463 /nfs/dbraw/zinc/27/64/63/192276463.db2.gz KPCBXAYBSQFFLT-KRWDZBQOSA-N 2 0 302.462 2.828 20 0 DFADRP CCC(CC)(CNC(=O)[C@@H]([NH3+])C(C)C)[NH2+][C@@H](C)c1ccccc1 ZINC000236856776 202039180 /nfs/dbraw/zinc/03/91/80/202039180.db2.gz LVLGCCLBEMSLRK-RDJZCZTQSA-N 2 0 319.493 2.996 20 0 DFADRP CCC([NH3+])(CC)CNC(=O)c1cccc(C[NH+]2CCCC2)c1 ZINC000236834367 202031739 /nfs/dbraw/zinc/03/17/39/202031739.db2.gz AJDFAMNTZKDOSP-UHFFFAOYSA-N 2 0 303.450 2.530 20 0 DFADRP CC[NH+](CC)CCC[C@H](C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000236858456 202040641 /nfs/dbraw/zinc/04/06/41/202040641.db2.gz IBKBCCMBIWALIW-QAETUUGQSA-N 2 0 309.498 2.534 20 0 DFADRP CCC[C@H]([NH3+])C(=O)NCc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000236886924 202053362 /nfs/dbraw/zinc/05/33/62/202053362.db2.gz HCHWIHGEGBTCSE-QAPCUYQASA-N 2 0 317.477 2.662 20 0 DFADRP CC[NH+](CC)[C@H](CNC(=O)[C@@H]1CCC[C@@H]([NH3+])C1)c1ccsc1 ZINC000236880790 202049603 /nfs/dbraw/zinc/04/96/03/202049603.db2.gz GWALBDDQXDMJMC-FVQBIDKESA-N 2 0 323.506 2.765 20 0 DFADRP CC[C@H](C)[C@@H]([NH3+])C(=O)Nc1ccc(OCC[NH+](CC)CC)cc1 ZINC000236900142 202060392 /nfs/dbraw/zinc/06/03/92/202060392.db2.gz FJQIGXUFUHENTL-WMLDXEAASA-N 2 0 321.465 2.719 20 0 DFADRP CC[NH+](CC)Cc1ccc(CNC(=O)C(CC)(CC)C[NH3+])cc1 ZINC000236904712 202062661 /nfs/dbraw/zinc/06/26/61/202062661.db2.gz YSULPOUCULJLGN-UHFFFAOYSA-N 2 0 319.493 2.910 20 0 DFADRP CC[C@]1(C(=O)N2CCC[C@@H](C[NH+]3CCCCCC3)C2)CCC[NH2+]1 ZINC000134593929 283193645 /nfs/dbraw/zinc/19/36/45/283193645.db2.gz SJXMNJIGZRNABN-PKOBYXMFSA-N 2 0 321.509 2.633 20 0 DFADRP CC[NH+](CC)Cc1cccc(NC(=O)[C@@]2(C)CCCC[NH2+]2)c1 ZINC000236929051 202076845 /nfs/dbraw/zinc/07/68/45/202076845.db2.gz MHNJDRXFZAYOEU-GOSISDBHSA-N 2 0 303.450 2.999 20 0 DFADRP CC[NH+](CC)Cc1cccc(NC(=O)[C@]2(C)CCCC[NH2+]2)c1 ZINC000236929994 202077198 /nfs/dbraw/zinc/07/71/98/202077198.db2.gz MHNJDRXFZAYOEU-SFHVURJKSA-N 2 0 303.450 2.999 20 0 DFADRP CCC[NH+]1CCC(NC[C@H](Cc2ccccc2)[NH+](C)C)CC1 ZINC000121646601 398788860 /nfs/dbraw/zinc/78/88/60/398788860.db2.gz SNXMKVFBXVRQLP-IBGZPJMESA-N 2 0 303.494 2.623 20 0 DFADRP CCC[C@H](C)[C@H]1CCC[N@@H+]1CC(=O)NC1CC[NH+](C(C)C)CC1 ZINC000135348913 283216193 /nfs/dbraw/zinc/21/61/93/283216193.db2.gz CYFRDXYDHAQKTE-FUHWJXTLSA-N 2 0 323.525 2.876 20 0 DFADRP Cc1ccc([C@@H](CNC(=O)CCCCCC[NH3+])[NH+](C)C)cc1 ZINC000237190055 202183016 /nfs/dbraw/zinc/18/30/16/202183016.db2.gz RXZXDNPXEDEEJS-QGZVFWFLSA-N 2 0 305.466 2.623 20 0 DFADRP CC[N@@H+]1CC[C@H](N(C)Cc2cnn(C)c2C(F)(F)F)[C@H](C)C1 ZINC000151664940 283291586 /nfs/dbraw/zinc/29/15/86/283291586.db2.gz IUOLRHLRWODITO-YPMHNXCESA-N 2 0 318.387 2.601 20 0 DFADRP COC(=O)c1ccc2c(c1)[C@H]([NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1)CCC2 ZINC000594512549 398813513 /nfs/dbraw/zinc/81/35/13/398813513.db2.gz VRYWIVHWNUSGKI-RPVQJOFSSA-N 2 0 316.445 2.780 20 0 DFADRP CCCc1ccc([C@H](C)[NH2+]CC2CC[NH+](CCO)CC2)cc1 ZINC000151832586 283298156 /nfs/dbraw/zinc/29/81/56/283298156.db2.gz FYQANNYYGAIBRA-INIZCTEOSA-N 2 0 304.478 2.994 20 0 DFADRP COC[C@@H]([NH2+][C@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21)C1CC1 ZINC000180180718 199127818 /nfs/dbraw/zinc/12/78/18/199127818.db2.gz SAEUNOXVGQXAMS-LWYYNNOASA-N 2 0 314.473 2.912 20 0 DFADRP CCC(CC)[C@H](C[NH2+][C@H](C)[C@H]1C[C@H]1C(=O)OC)[NH+]1CCCC1 ZINC000594914177 398869709 /nfs/dbraw/zinc/86/97/09/398869709.db2.gz DZKUOULZQMCMKH-DZUCGIPZSA-N 2 0 310.482 2.674 20 0 DFADRP C[C@H](C(=O)N(C)CC[C@H]1CCCC[N@@H+]1C)[C@@H]([NH3+])c1ccccc1 ZINC000237395997 202252839 /nfs/dbraw/zinc/25/28/39/202252839.db2.gz XKMGCYIECDJXHE-CGTJXYLNSA-N 2 0 317.477 2.655 20 0 DFADRP FC(F)(F)CSCC[NH2+]Cc1ccnn1-c1cc[nH+]cc1 ZINC000594936056 398876555 /nfs/dbraw/zinc/87/65/55/398876555.db2.gz SLDUBSGHEDFSIQ-UHFFFAOYSA-N 2 0 316.352 2.652 20 0 DFADRP CCc1ccc(C[N@H+](C)CCN(C)C2CC[NH+](C)CC2)cc1 ZINC000180927569 199229554 /nfs/dbraw/zinc/22/95/54/199229554.db2.gz AIKMGJJQJDKXPC-UHFFFAOYSA-N 2 0 303.494 2.707 20 0 DFADRP CCN1C[C@@H](C)[C@@H]([NH2+]CCc2cccc(Br)c2)C1 ZINC000468508250 299279329 /nfs/dbraw/zinc/27/93/29/299279329.db2.gz XVDHNTZLGJRGAR-DOMZBBRYSA-N 2 0 311.267 2.921 20 0 DFADRP COC(=O)C[C@@H]1CC[C@H]([NH2+]CC2CC[NH+](CC3CC3)CC2)[C@H]1C ZINC000595001027 398889402 /nfs/dbraw/zinc/88/94/02/398889402.db2.gz PDLQGTZMXMGEJR-WBAXXEDZSA-N 2 0 322.493 2.676 20 0 DFADRP C[C@@H](CSCCF)[NH2+]CCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000595019670 398893141 /nfs/dbraw/zinc/89/31/41/398893141.db2.gz PBOCNVQTFDSPBK-SOUVJXGZSA-N 2 0 306.491 2.557 20 0 DFADRP [NH3+]CC1CC[NH+](Cc2cc(Cl)c3c(c2)OCCCO3)CC1 ZINC000044514070 283427355 /nfs/dbraw/zinc/42/73/55/283427355.db2.gz MOVBTESBASCHDQ-UHFFFAOYSA-N 2 0 310.825 2.672 20 0 DFADRP C[NH+]1CCC(O)(C[NH2+]Cc2ccc(-c3ccccc3)s2)CC1 ZINC000077450458 398904660 /nfs/dbraw/zinc/90/46/60/398904660.db2.gz RGCHLIZJJGQLJS-UHFFFAOYSA-N 2 0 316.470 2.961 20 0 DFADRP C[C@@H]1C[C@H](NC(=O)CCCCCC[NH3+])C[N@@H+]1Cc1ccccc1 ZINC000237438936 202266027 /nfs/dbraw/zinc/26/60/27/202266027.db2.gz UXZZMEKYUTWUKY-AEFFLSMTSA-N 2 0 317.477 2.675 20 0 DFADRP COC(=O)CC1CCC([NH2+]CCN2CCCC(C)(C)C2)CC1 ZINC000599042305 398911606 /nfs/dbraw/zinc/91/16/06/398911606.db2.gz BVGMBSNLHWMDDZ-UHFFFAOYSA-N 2 0 310.482 2.820 20 0 DFADRP CC[C@@H]([NH2+]CCCN1CC[NH+](CC)CC1)c1cccc(F)c1 ZINC000187765964 200154094 /nfs/dbraw/zinc/15/40/94/200154094.db2.gz DHQRLIWXHWOYGN-GOSISDBHSA-N 2 0 307.457 2.894 20 0 DFADRP CC[C@H]([NH2+]CCCN1CC[NH+](CC)CC1)c1cccc(F)c1 ZINC000187765948 200154327 /nfs/dbraw/zinc/15/43/27/200154327.db2.gz DHQRLIWXHWOYGN-SFHVURJKSA-N 2 0 307.457 2.894 20 0 DFADRP COC(=O)CC1CCC([NH2+][C@@H]2CCCN3CCCC[C@H]23)CC1 ZINC000599056379 398914458 /nfs/dbraw/zinc/91/44/58/398914458.db2.gz XSTCTWMWEXGLIO-BHUNQDJPSA-N 2 0 308.466 2.715 20 0 DFADRP COC[C@@H]([NH2+]CCC[NH+](C(C)C)C(C)C)C1CCOCC1 ZINC000188100167 283471981 /nfs/dbraw/zinc/47/19/81/283471981.db2.gz NHAIXTOHWBFSQJ-QGZVFWFLSA-N 2 0 300.487 2.527 20 0 DFADRP C[C@H]([NH2+]C(C)(C)CNC(=O)[C@@]1(C)CCCC[NH2+]1)c1ccccc1 ZINC000237511504 202267194 /nfs/dbraw/zinc/26/71/94/202267194.db2.gz DSBNUGCEZANNJU-HNAYVOBHSA-N 2 0 317.477 2.764 20 0 DFADRP C[C@H]1CCCC[N@@H+]1Cc1ccc(NC(=O)C2CC[NH2+]CC2)cc1 ZINC000237526470 202271401 /nfs/dbraw/zinc/27/14/01/202271401.db2.gz MMDKYUFWTVVALV-HNNXBMFYSA-N 2 0 315.461 2.999 20 0 DFADRP C[C@H]([NH2+]C[C@H]1CCCC[N@H+](C)C1)c1ccc([S@@](C)=O)cc1 ZINC000599072023 398917240 /nfs/dbraw/zinc/91/72/40/398917240.db2.gz WVFJNWYIZFSDTL-PDSXEYIOSA-N 2 0 308.491 2.807 20 0 DFADRP C[C@@H](CC(=O)Nc1cccc(C[NH+](C)C)c1)[C@@H]1CCC[NH2+]C1 ZINC000237606645 202300810 /nfs/dbraw/zinc/30/08/10/202300810.db2.gz KJHZORYBZDLDPV-GOEBONIOSA-N 2 0 303.450 2.713 20 0 DFADRP C[C@H]1C[NH+](CCCC[NH2+]Cc2ccc3c[nH]nc3c2)C[C@H](C)O1 ZINC000237610056 202301895 /nfs/dbraw/zinc/30/18/95/202301895.db2.gz VPMOIJXIFKRMFX-GJZGRUSLSA-N 2 0 316.449 2.542 20 0 DFADRP C[C@H](CC(=O)NC[C@@H](C1CCCCC1)[NH+](C)C)[C@@H]1CCC[NH2+]C1 ZINC000237645177 202316230 /nfs/dbraw/zinc/31/62/30/202316230.db2.gz IAWWQRALIBPRJR-NXHRZFHOSA-N 2 0 323.525 2.639 20 0 DFADRP COCC[N@H+](C)CCC[NH2+][C@H]1CCC[C@H](c2ncccc2C)C1 ZINC000281136159 216103443 /nfs/dbraw/zinc/10/34/43/216103443.db2.gz FLQFNNJOAWROKJ-ROUUACIJSA-N 2 0 319.493 2.974 20 0 DFADRP CC[N@H+](C)[C@H](C(=O)NCc1ccc2c(c1)C[NH2+]C2)c1ccccc1 ZINC000188707025 200291228 /nfs/dbraw/zinc/29/12/28/200291228.db2.gz HVINOVLCQVPFEF-IBGZPJMESA-N 2 0 323.440 2.599 20 0 DFADRP C[N@H+](Cc1ccccc1)CC(C)(C)C[NH2+]C[C@H]1CC[C@H](O)C1 ZINC000188833057 200309928 /nfs/dbraw/zinc/30/99/28/200309928.db2.gz WIUPKZBGEFBZNJ-ROUUACIJSA-N 2 0 304.478 2.895 20 0 DFADRP CC(C)[NH2+]CCCNC(=O)[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000151817411 398927489 /nfs/dbraw/zinc/92/74/89/398927489.db2.gz VZVSTKYBTAIIIS-SFHVURJKSA-N 2 0 317.477 2.545 20 0 DFADRP C[C@H]([NH2+]CC1CC[NH+](CCO)CC1)[C@@H]1C[C@H]1c1cccs1 ZINC000417317797 296009514 /nfs/dbraw/zinc/00/95/14/296009514.db2.gz XIRRBYDCGUIENV-CWRNSKLLSA-N 2 0 308.491 2.534 20 0 DFADRP CCCC[N@H+](C)CC1CC[NH+](CCOC[C@H]2CCCO2)CC1 ZINC000152323144 398930539 /nfs/dbraw/zinc/93/05/39/398930539.db2.gz SOLOIYVWPBARLE-GOSISDBHSA-N 2 0 312.498 2.626 20 0 DFADRP C[NH+](C)CCN1CCC([NH2+]Cc2ccc(Cl)cc2F)CC1 ZINC000189247967 200370011 /nfs/dbraw/zinc/37/00/11/200370011.db2.gz GTJPJHHEWTXCFC-UHFFFAOYSA-N 2 0 313.848 2.595 20 0 DFADRP C[C@H]([NH2+][C@@H](CO)CC1CCC1)c1cccc(OCC[NH+](C)C)c1 ZINC000281155352 216116713 /nfs/dbraw/zinc/11/67/13/216116713.db2.gz OTTVRMWAVMGOTJ-MAUKXSAKSA-N 2 0 320.477 2.829 20 0 DFADRP O[C@H]1CC[C@@H](C[NH2+][C@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)C1 ZINC000189329867 200383480 /nfs/dbraw/zinc/38/34/80/200383480.db2.gz GKESKQXWQQGAHL-CXQPBAHBSA-N 2 0 314.473 2.648 20 0 DFADRP FC(F)CN1CC[C@H]([NH2+]C2CC[NH+](C3CCCCC3)CC2)C1 ZINC000417383313 296015490 /nfs/dbraw/zinc/01/54/90/296015490.db2.gz KGYFOXGJVQTXFA-HNNXBMFYSA-N 2 0 315.452 2.713 20 0 DFADRP C[C@H]([NH2+]CCCCCCO)c1cccc(OCC[NH+](C)C)c1 ZINC000271893651 209303051 /nfs/dbraw/zinc/30/30/51/209303051.db2.gz SRIDFRPIOAGAJO-INIZCTEOSA-N 2 0 308.466 2.830 20 0 DFADRP CC[NH+](CC)CCOc1ccc(C[NH2+][C@H]2CCOC[C@H]2C)cc1 ZINC000192479472 200885237 /nfs/dbraw/zinc/88/52/37/200885237.db2.gz UNEWATGAHRYCPQ-APWZRJJASA-N 2 0 320.477 2.922 20 0 DFADRP CCOC(=O)[C@H](C)N1CCC(Cc2nc3ccccc3[nH]2)CC1 ZINC000595552227 398967698 /nfs/dbraw/zinc/96/76/98/398967698.db2.gz QPBRQCIBYYVWGS-ZDUSSCGKSA-N 2 0 315.417 2.769 20 0 DFADRP CCOC(=O)[C@@H]1CC[C@H](C)[N@H+](CCC[NH+]2CCCCC2)[C@@H]1C ZINC000595553908 398968694 /nfs/dbraw/zinc/96/86/94/398968694.db2.gz AVESIVJYUSQCLB-GVDBMIGSSA-N 2 0 310.482 2.915 20 0 DFADRP CC(C)[C@H]1CC[C@@H](C)C[C@@H]1[NH2+]C[C@@H](C)CN1CC[NH+](C)CC1 ZINC000246874479 283642699 /nfs/dbraw/zinc/64/26/99/283642699.db2.gz CUAVTHDTBPMTMP-MKXGPGLRSA-N 2 0 309.542 2.920 20 0 DFADRP C[C@@H]([NH3+])CCC(=O)Nc1ccc(C[NH+]2CCC(C)CC2)cc1 ZINC000193295514 201023377 /nfs/dbraw/zinc/02/33/77/201023377.db2.gz FGWWADJFLHGJRG-OAHLLOKOSA-N 2 0 303.450 2.984 20 0 DFADRP Cc1ccc(C)c(NC(=O)C[NH+]2CCC(CC[NH+](C)C)CC2)c1 ZINC000056522382 398976930 /nfs/dbraw/zinc/97/69/30/398976930.db2.gz UMHNIOCUECTMEK-UHFFFAOYSA-N 2 0 317.477 2.906 20 0 DFADRP CC(C)c1ccc(CC[NH2+][C@@H](C)CCN2CC[NH+](C)CC2)cc1 ZINC000473064984 299328439 /nfs/dbraw/zinc/32/84/39/299328439.db2.gz MDSKEPXFECNDLA-SFHVURJKSA-N 2 0 317.521 2.968 20 0 DFADRP C[C@H](C(=O)N1C[C@H](C)C[C@H](C)C1)[NH+]1CCC(CC[NH+](C)C)CC1 ZINC000056523605 398978230 /nfs/dbraw/zinc/97/82/30/398978230.db2.gz ZHTPIGAZEHJDNX-IXDOHACOSA-N 2 0 323.525 2.543 20 0 DFADRP C[C@@H](CC[NH+]1CCC([N@H+](C)CCCO)CC1)c1ccccc1 ZINC000193959140 201153022 /nfs/dbraw/zinc/15/30/22/201153022.db2.gz QKTVPRAQSNZNHS-KRWDZBQOSA-N 2 0 304.478 2.959 20 0 DFADRP C[N@H+]1CC=C(C[NH2+]Cc2ccc(OC(F)F)c(F)c2)CC1 ZINC000271867170 209281341 /nfs/dbraw/zinc/28/13/41/209281341.db2.gz WNSUCBMCOMRSJG-UHFFFAOYSA-N 2 0 300.324 2.779 20 0 DFADRP Clc1ccsc1C[NH+]1CCC(C[NH+]2CCOCC2)CC1 ZINC000194329931 201202784 /nfs/dbraw/zinc/20/27/84/201202784.db2.gz FCXKKTVCWRCPCG-UHFFFAOYSA-N 2 0 314.882 2.946 20 0 DFADRP C[C@@H]([NH2+]CCOCC[NH+](C)C)c1cccc(OC(F)(F)F)c1 ZINC000447591542 297310005 /nfs/dbraw/zinc/31/00/05/297310005.db2.gz DLIBMIWSIUAKOK-GFCCVEGCSA-N 2 0 320.355 2.814 20 0 DFADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+]C[C@@H](C)c2ccccc2)CC1 ZINC000194415406 201222802 /nfs/dbraw/zinc/22/28/02/201222802.db2.gz GOCYYEJRRQMSAI-ZWKOTPCHSA-N 2 0 303.494 2.653 20 0 DFADRP C[C@H]([NH2+]CC1=CC[N@H+](C)CC1)c1cccc(OCC[NH+](C)C)c1 ZINC000271845445 209263418 /nfs/dbraw/zinc/26/34/18/209263418.db2.gz HMYKPLLQQBTFAX-INIZCTEOSA-N 3 0 317.477 2.540 20 0 DFADRP CC(C)(C(=O)NC[C@@H]([NH3+])c1ccccc1)[C@@H]([NH3+])c1ccccc1 ZINC000417802184 296052516 /nfs/dbraw/zinc/05/25/16/296052516.db2.gz VFJRTCREOWDIML-SJORKVTESA-N 2 0 311.429 2.529 20 0 DFADRP C[NH2+]CCC1CCN(C(=O)C(C)(C)[C@@H]([NH3+])c2ccccc2)CC1 ZINC000417808894 296053325 /nfs/dbraw/zinc/05/33/25/296053325.db2.gz LZXXEIUWMMSDFE-KRWDZBQOSA-N 2 0 317.477 2.561 20 0 DFADRP C[C@H](CC(=O)N[C@@H](CCC[NH3+])c1ccccc1)[C@H]1CCC[NH2+]C1 ZINC000417823893 296055063 /nfs/dbraw/zinc/05/50/63/296055063.db2.gz ASZLSMPBIJWUFT-NJAFHUGGSA-N 2 0 317.477 2.609 20 0 DFADRP CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)CC[C@@H]2CCC[NH2+]C2)C1 ZINC000621648521 399007163 /nfs/dbraw/zinc/00/71/63/399007163.db2.gz WWVATLBZUODHRT-SJORKVTESA-N 2 0 323.525 2.783 20 0 DFADRP C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)CC[C@H]2CCC[NH2+]C2)C1 ZINC000621642254 399007665 /nfs/dbraw/zinc/00/76/65/399007665.db2.gz JAGYUUMDOYJVFT-IXDOHACOSA-N 2 0 323.525 2.639 20 0 DFADRP CC(C)[C@@H](CNC(=O)CC[C@H]1CCC[NH2+]C1)[NH+]1CCC(C)CC1 ZINC000621642770 399007410 /nfs/dbraw/zinc/00/74/10/399007410.db2.gz VSHPUEJTXPGEFD-QZTJIDSGSA-N 2 0 323.525 2.639 20 0 DFADRP CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)CC[C@H]2CCC[NH2+]C2)C1 ZINC000621648519 399007866 /nfs/dbraw/zinc/00/78/66/399007866.db2.gz WWVATLBZUODHRT-IAGOWNOFSA-N 2 0 323.525 2.783 20 0 DFADRP CC[C@@H]([NH2+]CC(=O)NC[C@H](c1ccccc1)[NH+](C)C)C(C)(C)C ZINC000475127096 299343838 /nfs/dbraw/zinc/34/38/38/299343838.db2.gz AURBVZXAIGUEND-IAGOWNOFSA-N 2 0 319.493 2.820 20 0 DFADRP CC1(C)C[C@H]([NH2+]Cc2ccc(OCC[NH+]3CCCC3)cc2)CO1 ZINC000417942322 296064920 /nfs/dbraw/zinc/06/49/20/296064920.db2.gz SXNMGFNYNBXJKV-KRWDZBQOSA-N 2 0 318.461 2.818 20 0 DFADRP CCCOc1ccc(C[NH2+]CC2=CC[N@H+](C)CC2)cc1OC ZINC000271809213 209234373 /nfs/dbraw/zinc/23/43/73/209234373.db2.gz KKXZJMWRYRWYAH-UHFFFAOYSA-N 2 0 304.434 2.836 20 0 DFADRP CCC(C)(C)[NH2+][C@H](C)C(=O)N1CC[NH+](CC2CCCCC2)CC1 ZINC000475896135 299350151 /nfs/dbraw/zinc/35/01/51/299350151.db2.gz KPNABHYXBURUJG-MRXNPFEDSA-N 2 0 323.525 2.878 20 0 DFADRP CC[NH+]1CCN([C@@H](C)C[NH2+][C@H](c2ccccc2)C(C)C)CC1 ZINC000091285549 193031850 /nfs/dbraw/zinc/03/18/50/193031850.db2.gz QBSZNRRVQOQYJK-HKUYNNGSSA-N 2 0 303.494 2.999 20 0 DFADRP C[C@@H](C[NH2+][C@H](c1ccccc1)C1CC1)CN1CC[NH+](C)CC1 ZINC000091320551 193040577 /nfs/dbraw/zinc/04/05/77/193040577.db2.gz ONJOPNWAOCBWQF-QFBILLFUSA-N 2 0 301.478 2.611 20 0 DFADRP Cc1nccnc1C[NH+]1CCC(CCC[NH+]2CCCC2)CC1 ZINC000621718549 399045955 /nfs/dbraw/zinc/04/59/55/399045955.db2.gz LYMCATTWXMUVNA-UHFFFAOYSA-N 2 0 302.466 2.873 20 0 DFADRP CC[NH+](CC)Cc1ccc(C(=O)NC[C@H](C)[N@H+](C)C2CC2)cc1 ZINC000057709446 399056065 /nfs/dbraw/zinc/05/60/65/399056065.db2.gz SKOWMXDQDYAXNR-HNNXBMFYSA-N 2 0 317.477 2.741 20 0 DFADRP COC(=O)[C@@H]1CC[N@H+](CC[C@@H]2CCC[NH+]2C)[C@@H]2CCCC[C@H]12 ZINC000595734610 399062155 /nfs/dbraw/zinc/06/21/55/399062155.db2.gz UJJJNDBLVFFCPO-YLFCFFPRSA-N 2 0 308.466 2.524 20 0 DFADRP CCCN(CCC[NH+](C)C)C(=O)NCc1ccc([C@@H](C)[NH3+])cc1 ZINC000418490518 296099932 /nfs/dbraw/zinc/09/99/32/296099932.db2.gz NANCKDQUBGYGJK-OAHLLOKOSA-N 2 0 320.481 2.580 20 0 DFADRP C[C@@H]([NH2+]C1CCN(CC[NH+](C)C)CC1)C(C)(C)c1ccccc1 ZINC000150950066 296115048 /nfs/dbraw/zinc/11/50/48/296115048.db2.gz YLBGJJUBBKTTRW-QGZVFWFLSA-N 2 0 317.521 2.968 20 0 DFADRP Cc1cc(N2C[C@@H](C)[N@@H+](CCO)C[C@H]2C)c2cc(F)ccc2[nH+]1 ZINC000419005393 296123822 /nfs/dbraw/zinc/12/38/22/296123822.db2.gz PIKNTTXPRXGBKJ-ZIAGYGMSSA-N 2 0 317.408 2.574 20 0 DFADRP C[C@@H]([NH2+][C@H]1CCCC[C@@H]1O)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000275140520 212145963 /nfs/dbraw/zinc/14/59/63/212145963.db2.gz RLMUSIKGXREWJD-BVBHFADKSA-N 2 0 302.462 2.790 20 0 DFADRP CC[NH+](CC)Cc1ccc(CNC(=O)CC[C@@H]2CC[NH2+]C2)cc1 ZINC000261643227 203085957 /nfs/dbraw/zinc/08/59/57/203085957.db2.gz DHKKTDCRVVEVFZ-QGZVFWFLSA-N 2 0 317.477 2.534 20 0 DFADRP COC(=O)[C@@H]1CCCCCC[C@@H]1[NH2+]CC[C@H]1CCCC[N@@H+]1C ZINC000481442755 299396226 /nfs/dbraw/zinc/39/62/26/299396226.db2.gz XMJCFSUHFYIEHO-ZACQAIPSSA-N 2 0 310.482 2.962 20 0 DFADRP [NH3+][C@H](CC(=O)Nc1ccc2c(c1F)CC[NH2+]C2)c1ccccc1 ZINC000261734480 203105221 /nfs/dbraw/zinc/10/52/21/203105221.db2.gz NERMCGYKHCACOL-OAHLLOKOSA-N 2 0 313.376 2.500 20 0 DFADRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@@H]1Cc2[nH]c3ccccc3c2C1 ZINC000282205334 216820605 /nfs/dbraw/zinc/82/06/05/216820605.db2.gz HCCDINCSTPMMOU-LSDHHAIUSA-N 2 0 315.461 2.582 20 0 DFADRP CC[NH+](CC)CCC[C@H](C)NC(=O)[C@@H](C)[C@H]([NH3+])c1ccccc1 ZINC000261815675 203124483 /nfs/dbraw/zinc/12/44/83/203124483.db2.gz WEYQOVPDWDYGPG-BQFCYCMXSA-N 2 0 319.493 2.949 20 0 DFADRP CC[NH+](CC)Cc1ccc(C(=O)NC[C@H](C)C[NH+]2CCCC2)o1 ZINC000618400961 399107521 /nfs/dbraw/zinc/10/75/21/399107521.db2.gz PTLXGHMGUHMDKF-HNNXBMFYSA-N 2 0 321.465 2.583 20 0 DFADRP CC[NH+]1CCN([C@H]2CC[N@H+](Cc3cc(C)c(C)cc3C)C2)CC1 ZINC000093132617 193204989 /nfs/dbraw/zinc/20/49/89/193204989.db2.gz FANUNLKTYNSGEW-FQEVSTJZSA-N 2 0 315.505 2.824 20 0 DFADRP CCC[C@](C)([NH3+])C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000262149589 203212130 /nfs/dbraw/zinc/21/21/30/203212130.db2.gz QWSOIQZILSITMM-SUMDDJOVSA-N 2 0 317.477 2.673 20 0 DFADRP CCC[C@H]([NH3+])C(=O)NCc1ccccc1C[N@@H+]1CCC[C@H](C)C1 ZINC000262096704 203196917 /nfs/dbraw/zinc/19/69/17/203196917.db2.gz DPTPVSLBNXKFBB-YJBOKZPZSA-N 2 0 317.477 2.662 20 0 DFADRP CCC[C@@](C)([NH3+])C(=O)N1CC[C@@H](C)[N@H+](Cc2ccccc2)CC1 ZINC000262334120 203265476 /nfs/dbraw/zinc/26/54/76/203265476.db2.gz WIIMGKBQLZXYKW-VQIMIIECSA-N 2 0 317.477 2.627 20 0 DFADRP C[C@@H](C[NH3+])C(=O)Nc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000262370223 203276330 /nfs/dbraw/zinc/27/63/30/203276330.db2.gz LPBMKFNWTYEJLG-AWEZNQCLSA-N 2 0 303.450 2.984 20 0 DFADRP CCN1C[C@@H](C)[C@@H]([NH2+]CCCc2cc(OC)ccc2OC)C1 ZINC000340108638 284152263 /nfs/dbraw/zinc/15/22/63/284152263.db2.gz JSOQDLROKAJDSR-PBHICJAKSA-N 2 0 306.450 2.566 20 0 DFADRP Cc1ccccc1C[NH+]1CCC(CC[NH+]2CCOCC2)CC1 ZINC000060242016 399120368 /nfs/dbraw/zinc/12/03/68/399120368.db2.gz VXNLTSRCYJLMFE-UHFFFAOYSA-N 2 0 302.462 2.929 20 0 DFADRP Cc1ccc([C@@H]([NH3+])C(=O)NCCCC[N@H+]2CCC[C@H](C)C2)cc1 ZINC000262631271 203359134 /nfs/dbraw/zinc/35/91/34/203359134.db2.gz HEMJCHOYSNNTFG-FUHWJXTLSA-N 2 0 317.477 2.623 20 0 DFADRP Cc1cc2ncc([C@H](C)[NH2+]CCC3CC[NH+](C)CC3)c(C)n2n1 ZINC000093405339 193245564 /nfs/dbraw/zinc/24/55/64/193245564.db2.gz RHPUOYPZXUXLDC-AWEZNQCLSA-N 2 0 315.465 2.729 20 0 DFADRP CCC[C@](C)([NH3+])C(=O)NCC1CC[NH+](Cc2cccs2)CC1 ZINC000262693940 203384793 /nfs/dbraw/zinc/38/47/93/203384793.db2.gz BWIXRGUSNNCBMJ-KRWDZBQOSA-N 2 0 323.506 2.594 20 0 DFADRP C[NH+](C)CCCC1CC[NH+](Cc2ccc([S@@](C)=O)cc2)CC1 ZINC000093688709 193289472 /nfs/dbraw/zinc/28/94/72/193289472.db2.gz AHVLGDUQTMGAGN-QFIPXVFZSA-N 2 0 322.518 2.978 20 0 DFADRP CCC[NH+]1CCC([NH2+][C@H]2CCOC3(CCSCC3)C2)CC1 ZINC000094370369 193366431 /nfs/dbraw/zinc/36/64/31/193366431.db2.gz YDZBROUIENUMST-INIZCTEOSA-N 2 0 312.523 2.895 20 0 DFADRP Cc1cc(C[NH+](C)C)cc(NC(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)c1 ZINC000340334327 284177967 /nfs/dbraw/zinc/17/79/67/284177967.db2.gz RLVPXDCVPGWQFE-GJZGRUSLSA-N 2 0 303.450 2.868 20 0 DFADRP CC(C)C[C@H]([NH2+]CCC1CCCCC1)C(=O)NCC[NH+](C)C ZINC000483316917 299410147 /nfs/dbraw/zinc/41/01/47/299410147.db2.gz BBPYLAWZKPNEPY-KRWDZBQOSA-N 2 0 311.514 2.639 20 0 DFADRP CC(C)C[N@@H+]1CCC[C@H](C[NH2+][C@H](Cn2cccn2)C(C)C)C1 ZINC000340523625 284187917 /nfs/dbraw/zinc/18/79/17/284187917.db2.gz GZPQPGFFXVLUCS-QZTJIDSGSA-N 2 0 306.498 2.865 20 0 DFADRP CCOc1cc2[nH+]ccc(N3CC[C@@H]([NH3+])C3)c2cc1OCC ZINC000420143408 296159640 /nfs/dbraw/zinc/15/96/40/296159640.db2.gz JQPDFALUXGEMBK-GFCCVEGCSA-N 2 0 301.390 2.570 20 0 DFADRP C[NH2+][C@H]1CCN(c2cc(C)[nH+]c3ccc(OC(F)F)cc32)C1 ZINC000420175773 296160562 /nfs/dbraw/zinc/16/05/62/296160562.db2.gz YRYNPANZODHIMZ-NSHDSACASA-N 2 0 307.344 2.943 20 0 DFADRP CC[NH+]1CCN([C@H]2CC[N@H+](C[C@H](C)c3ccc(C)cc3)C2)CC1 ZINC000600117270 399141929 /nfs/dbraw/zinc/14/19/29/399141929.db2.gz KGPHQSHKXSKASE-ICSRJNTNSA-N 2 0 315.505 2.810 20 0 DFADRP CCOC(=O)c1cnc2ccccc2c1N1CC[C@H]([C@H](C)[NH3+])C1 ZINC000420233506 296164368 /nfs/dbraw/zinc/16/43/68/296164368.db2.gz MRJGKLPBMZMYBK-STQMWFEESA-N 2 0 313.401 2.585 20 0 DFADRP CCOC(=O)c1cnc2ccccc2c1N1CC[C@@](C)(C[NH3+])C1 ZINC000420240084 296164903 /nfs/dbraw/zinc/16/49/03/296164903.db2.gz JNYYOAGQUDCBLS-SFHVURJKSA-N 2 0 313.401 2.587 20 0 DFADRP CCO[C@@H]1CCC[NH+](CCCC[N@H+]2CCC[C@@H](OCC)C2)C1 ZINC000607153925 399145873 /nfs/dbraw/zinc/14/58/73/399145873.db2.gz RNOOWJOBTKSEML-QZTJIDSGSA-N 2 0 312.498 2.768 20 0 DFADRP CCCc1cc(N2CC[C@@H](N3CC[NH2+]CC3)C2)c2ccccc2[nH+]1 ZINC000420257392 296166397 /nfs/dbraw/zinc/16/63/97/296166397.db2.gz WGKXSXBZAQNFKD-QGZVFWFLSA-N 2 0 324.472 2.671 20 0 DFADRP CN(Cc1ccn(-c2c(F)cccc2F)n1)CC(C)(C)C[NH3+] ZINC000420289984 296169952 /nfs/dbraw/zinc/16/99/52/296169952.db2.gz LAVPKNYKQAJPLE-UHFFFAOYSA-N 2 0 308.376 2.567 20 0 DFADRP COc1ccc([C@H](C[NH3+])C[N@@H+]2CCS[C@H](C(C)C)C2)cc1 ZINC000420296422 296170838 /nfs/dbraw/zinc/17/08/38/296170838.db2.gz DMVZGNGGBFWMGO-WBVHZDCISA-N 2 0 308.491 2.811 20 0 DFADRP FC(F)(F)c1cc([C@@H]2CCC[N@H+](CC[C@@H]3CC[NH2+]C3)C2)[nH]n1 ZINC000420302109 296171820 /nfs/dbraw/zinc/17/18/20/296171820.db2.gz MDDHSAQJNYOOKK-NWDGAFQWSA-N 2 0 316.371 2.608 20 0 DFADRP Fc1cccc(C[N@H+](CC[C@H]2CC[NH2+]C2)C[C@@H]2CCCO2)c1 ZINC000420303926 296172044 /nfs/dbraw/zinc/17/20/44/296172044.db2.gz NYKQSEBBAYMMMA-QAPCUYQASA-N 2 0 306.425 2.806 20 0 DFADRP COc1ccc([C@@H](C[NH3+])C[N@@H+]2CCC[C@]3(CCCOC3)C2)cc1 ZINC000420308122 296172958 /nfs/dbraw/zinc/17/29/58/296172958.db2.gz SAXMPOASLYKLPE-HKUYNNGSSA-N 2 0 318.461 2.630 20 0 DFADRP O=C(Nc1ccccc1)[C@H]1CCC[N@H+](CC[C@@H]2CCC[NH2+]C2)C1 ZINC000420303475 296172271 /nfs/dbraw/zinc/17/22/71/296172271.db2.gz KKDWCRAILGOYPE-IRXDYDNUSA-N 2 0 315.461 2.727 20 0 DFADRP COc1ccc([C@H](C[NH3+])C[N@@H+]2CCC[C@]3(CCCOC3)C2)cc1 ZINC000420308124 296172967 /nfs/dbraw/zinc/17/29/67/296172967.db2.gz SAXMPOASLYKLPE-MJGOQNOKSA-N 2 0 318.461 2.630 20 0 DFADRP Cn1cc([C@H](c2cccc(F)c2)[N@H+](C)CC[C@@H]2CC[NH2+]C2)cn1 ZINC000420306207 296172647 /nfs/dbraw/zinc/17/26/47/296172647.db2.gz ACMDCBQHDVHJIA-KSSFIOAISA-N 2 0 316.424 2.580 20 0 DFADRP CCn1ccnc1C[N@H+](CCCCCF)[C@H]1CC12CC[NH2+]CC2 ZINC000420320595 296174586 /nfs/dbraw/zinc/17/45/86/296174586.db2.gz YTCAPJLNQNZEOV-INIZCTEOSA-N 2 0 322.472 2.987 20 0 DFADRP O=C(c1cc(F)ccc1F)C1CC[NH+](CC[C@H]2CC[NH2+]C2)CC1 ZINC000420316573 296174243 /nfs/dbraw/zinc/17/42/43/296174243.db2.gz MNYIITDVINUVHO-CYBMUJFWSA-N 2 0 322.399 2.859 20 0 DFADRP [NH3+][C@@H](Cc1ccccc1)[C@@H](O)C[N@@H+]1CCC[C@H]1c1cccs1 ZINC000420323978 296175140 /nfs/dbraw/zinc/17/51/40/296175140.db2.gz UUJLLVAPIUQYBL-ULQDDVLXSA-N 2 0 316.470 2.816 20 0 DFADRP [NH3+][C@@H]1CCO[C@H]1C1CC[NH+](Cc2nc3ccccc3s2)CC1 ZINC000420322561 296174857 /nfs/dbraw/zinc/17/48/57/296174857.db2.gz ALCJFESPEICCDQ-DYVFJYSZSA-N 2 0 317.458 2.625 20 0 DFADRP C[N@H+](CC[C@@H]1CCC[NH2+]C1)[C@H]1CCCN(c2ccccc2)C1 ZINC000420321641 296174917 /nfs/dbraw/zinc/17/49/17/296174917.db2.gz RIVOTIJXCRCCEI-HKUYNNGSSA-N 2 0 301.478 2.977 20 0 DFADRP [NH3+]C[C@H]1C[N@H+](Cc2cccc(C(F)F)c2)CC12CCOCC2 ZINC000420328749 296176254 /nfs/dbraw/zinc/17/62/54/296176254.db2.gz MYCFGKLWHOFCRD-HNNXBMFYSA-N 2 0 310.388 2.812 20 0 DFADRP Cc1cccc(NC(=O)[C@H](C)[N@@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)c1 ZINC000420334297 296176674 /nfs/dbraw/zinc/17/66/74/296176674.db2.gz GCSXYCNZMHAEOP-YESZJQIVSA-N 2 0 315.461 2.644 20 0 DFADRP Cc1ccc(NC(=O)C[N@@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)cc1C ZINC000420339545 296177487 /nfs/dbraw/zinc/17/74/87/296177487.db2.gz LZTGAHCPSZEALV-DLBZAZTESA-N 2 0 315.461 2.563 20 0 DFADRP Cc1cccc(NC(=O)[C@H](C)[N@@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)c1 ZINC000420334294 296176757 /nfs/dbraw/zinc/17/67/57/296176757.db2.gz GCSXYCNZMHAEOP-ULQDDVLXSA-N 2 0 315.461 2.644 20 0 DFADRP COC(=O)c1cc(C[NH+]2CCC([C@H]3CCC[NH2+]3)CC2)c(C)s1 ZINC000420334653 296176813 /nfs/dbraw/zinc/17/68/13/296176813.db2.gz JPNYTUSHMOQBNL-OAHLLOKOSA-N 2 0 322.474 2.807 20 0 DFADRP CC(C)N(C(=O)C[NH+]1CCC([C@H]2CCC[NH2+]2)CC1)C1CCCC1 ZINC000420337644 296177066 /nfs/dbraw/zinc/17/70/66/296177066.db2.gz OEQOLDIUEBITNN-GOSISDBHSA-N 2 0 321.509 2.630 20 0 DFADRP C(c1nc(C2CCCC2)no1)[N@@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000420336020 296177077 /nfs/dbraw/zinc/17/70/77/296177077.db2.gz VINOQOWBVHAXTB-GJZGRUSLSA-N 2 0 304.438 2.549 20 0 DFADRP Cc1ccc(C)c(NC(=O)[C@H](C)[N@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)c1 ZINC000420341798 296177790 /nfs/dbraw/zinc/17/77/90/296177790.db2.gz QGYFNOHRCBOYNT-YESZJQIVSA-N 2 0 315.461 2.562 20 0 DFADRP COc1ccc(Cl)c(C[NH+]2CCC([C@@H]3OCC[C@H]3[NH3+])CC2)c1 ZINC000420342225 296177817 /nfs/dbraw/zinc/17/78/17/296177817.db2.gz VNZLMHYXVQUKOG-SJORKVTESA-N 2 0 324.852 2.677 20 0 DFADRP O=C(C[N@@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1)Nc1ccc(Cl)cc1 ZINC000420341505 296177850 /nfs/dbraw/zinc/17/78/50/296177850.db2.gz ORJYUFUWPZTZMM-KGLIPLIRSA-N 2 0 321.852 2.600 20 0 DFADRP c1coc(-c2cc(C[N@@H+]3CCC[C@@H]([C@H]4CC[NH2+]C4)C3)no2)c1 ZINC000420345992 296178011 /nfs/dbraw/zinc/17/80/11/296178011.db2.gz WZQAPXOESOHDBQ-UONOGXRCSA-N 2 0 301.390 2.756 20 0 DFADRP C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)[C@](C)([NH3+])c1ccccc1 ZINC000278238324 214041611 /nfs/dbraw/zinc/04/16/11/214041611.db2.gz LDESJLLAIWPVDI-VQIMIIECSA-N 2 0 317.477 2.631 20 0 DFADRP Cc1ccccc1OCCC[NH+]1CCC([C@@H]2OCC[C@H]2[NH3+])CC1 ZINC000420338518 296177571 /nfs/dbraw/zinc/17/75/71/296177571.db2.gz RPKLGZLASLIKKU-MJGOQNOKSA-N 2 0 318.461 2.592 20 0 DFADRP CCc1ccccc1NC(=O)C[N@@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420343848 296177688 /nfs/dbraw/zinc/17/76/88/296177688.db2.gz ROWFWVOIFGCKSI-IAGOWNOFSA-N 2 0 315.461 2.509 20 0 DFADRP c1ccc(-c2noc(C[N@@H+]3CCC[C@H]([C@@H]4CC[NH2+]C4)C3)n2)cc1 ZINC000420344589 296178224 /nfs/dbraw/zinc/17/82/24/296178224.db2.gz UEYGWJOMNSQKSI-CVEARBPZSA-N 2 0 312.417 2.558 20 0 DFADRP CC[C@@H]1CCCCN1C(=O)[C@H](C)[NH+]1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000420346843 296178351 /nfs/dbraw/zinc/17/83/51/296178351.db2.gz ZGSXLQRZVGXPSR-CGTJXYLNSA-N 2 0 321.509 2.630 20 0 DFADRP c1nc([C@H]2CCC[N@@H+](CC[C@@H]3CCC[NH2+]C3)C2)n2c1CCCC2 ZINC000420362119 296180493 /nfs/dbraw/zinc/18/04/93/296180493.db2.gz AHRHMWXQYIPLPB-IRXDYDNUSA-N 2 0 316.493 2.789 20 0 DFADRP c1nc2ccccc2n1C[C@@H]1CCC[N@H+]1CC[C@@H]1CCC[NH2+]C1 ZINC000420365597 296180751 /nfs/dbraw/zinc/18/07/51/296180751.db2.gz FAFRZOSEKMDHGE-IRXDYDNUSA-N 2 0 312.461 2.890 20 0 DFADRP COC(=O)[C@@H](C)C[N@H+](CC[C@H]1CCC[NH2+]C1)Cc1ccccc1 ZINC000420367882 296181010 /nfs/dbraw/zinc/18/10/10/296181010.db2.gz WKGGAYZYCGCXFA-DLBZAZTESA-N 2 0 318.461 2.687 20 0 DFADRP CC(C)c1nc([C@@H]2CCC[N@H+](CCC3CC[NH2+]CC3)C2)no1 ZINC000420369049 296181480 /nfs/dbraw/zinc/18/14/80/296181480.db2.gz XKINNZLUXXJCIQ-OAHLLOKOSA-N 2 0 306.454 2.762 20 0 DFADRP COC(=O)[C@@H](C)[C@H]([NH2+]CCC1CC[NH2+]CC1)c1ccccc1 ZINC000420375084 296182303 /nfs/dbraw/zinc/18/23/03/296182303.db2.gz OZIXHPWHBOOEGC-YOEHRIQHSA-N 2 0 304.434 2.516 20 0 DFADRP Fc1ccc(N2CC[NH+](CC[C@@H]3CC[NH2+]C3)CC2)c(Cl)c1 ZINC000420379771 296183211 /nfs/dbraw/zinc/18/32/11/296183211.db2.gz VQGSNXSJWWJOGL-ZDUSSCGKSA-N 2 0 311.832 2.601 20 0 DFADRP c1nc2ccccc2n1C[C@@H]1CCC[N@H+]1CCC1CC[NH2+]CC1 ZINC000420376620 296182805 /nfs/dbraw/zinc/18/28/05/296182805.db2.gz QVLGULJBFFNUMT-KRWDZBQOSA-N 2 0 312.461 2.890 20 0 DFADRP [NH3+]C[C@H]1C[N@H+](CCCOc2cccc3ccccc32)CCCO1 ZINC000420383850 296184087 /nfs/dbraw/zinc/18/40/87/296184087.db2.gz FWJVQUONFZUVPC-KRWDZBQOSA-N 2 0 314.429 2.658 20 0 DFADRP [NH3+][C@H]1CCO[C@@H](C2CC[NH+](CCCc3ccsc3)CC2)C1 ZINC000420394964 296185838 /nfs/dbraw/zinc/18/58/38/296185838.db2.gz SNBSOBRJALCFFG-DLBZAZTESA-N 2 0 308.491 2.899 20 0 DFADRP CCOc1ccc(OCC[N@@H+]2CCCC[C@@H]2[C@H]2CC[NH2+]C2)cc1 ZINC000420400320 296186244 /nfs/dbraw/zinc/18/62/44/296186244.db2.gz ORZOQXUJMYZBPQ-QFBILLFUSA-N 2 0 318.461 2.928 20 0 DFADRP O=C(CC[N@@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1)NCC1CCCCC1 ZINC000420395052 296185593 /nfs/dbraw/zinc/18/55/93/296185593.db2.gz KQGOFKQUOAHLOW-QZTJIDSGSA-N 2 0 321.509 2.537 20 0 DFADRP O=C(NCC12CCC[NH+]1CCC2)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC000614225395 399181274 /nfs/dbraw/zinc/18/12/74/399181274.db2.gz OGAFITRTBPPCEF-QGZVFWFLSA-N 2 0 319.493 2.528 20 0 DFADRP CN1CCCC[C@H]1C(=O)Nc1ccc(-n2ccnc2)c(Cl)c1 ZINC000600981095 399193907 /nfs/dbraw/zinc/19/39/07/399193907.db2.gz SPLNVXKFVVOQAA-HNNXBMFYSA-N 2 0 318.808 2.949 20 0 DFADRP C[C@@H](C(=O)N[C@H]1CC[NH+](C2CCCCC2)C1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000618660376 399200951 /nfs/dbraw/zinc/20/09/51/399200951.db2.gz JMZMHYQAMXCHFN-YVSFHVDLSA-N 2 0 321.509 2.771 20 0 DFADRP CC[N@H+](C)[C@@H](C(=O)N(C)CCC[NH+]1CCCC1)c1ccccc1 ZINC000281832924 284366527 /nfs/dbraw/zinc/36/65/27/284366527.db2.gz WNVCXTUPBQGYLA-GOSISDBHSA-N 2 0 317.477 2.624 20 0 DFADRP CCC(C)(C)[NH2+][C@@H](C)C(=O)N[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000618665519 399203028 /nfs/dbraw/zinc/20/30/28/399203028.db2.gz JXPYTFVKYVAFRK-GJZGRUSLSA-N 2 0 309.498 2.676 20 0 DFADRP CC[C@H]1C[N@H+](C)CCCN1C(=O)CC[NH+](C)C1CCCCC1 ZINC000614329725 399207983 /nfs/dbraw/zinc/20/79/83/399207983.db2.gz GTXXPZNQTBZSLX-INIZCTEOSA-N 2 0 309.498 2.584 20 0 DFADRP C[C@H](C(=O)NC[C@H](c1ccsc1)[NH+](C)C)[NH+]1CCCCCC1 ZINC000266505012 205395477 /nfs/dbraw/zinc/39/54/77/205395477.db2.gz GLTPMOZMHMAPHS-GDBMZVCRSA-N 2 0 323.506 2.732 20 0 DFADRP CC[C@@H]1C[N@H+](C)CCCN1C(=O)C[C@@H](c1ccccc1)[NH+](C)C ZINC000614342010 399214386 /nfs/dbraw/zinc/21/43/86/399214386.db2.gz MAJRJCKNAUTOPY-MSOLQXFVSA-N 2 0 317.477 2.622 20 0 DFADRP Cn1cc(Cl)c(CN2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)n1 ZINC000420933992 296214205 /nfs/dbraw/zinc/21/42/05/296214205.db2.gz JHNYCFLDLWLUPF-WBMJQRKESA-N 2 0 308.857 2.522 20 0 DFADRP C[C@@H]([NH2+]CC1(N2CCCCC2)CC[NH+](C)CC1)[C@H]1CC1(C)C ZINC000487290625 299455879 /nfs/dbraw/zinc/45/58/79/299455879.db2.gz CNEPYADFFNWKCA-IAGOWNOFSA-N 2 0 307.526 2.961 20 0 DFADRP CC[NH+]1CCC(N2CCC[N@H+](CC3CC(F)(F)C3)CC2)CC1 ZINC000420979348 296220356 /nfs/dbraw/zinc/22/03/56/296220356.db2.gz KNRSHPHLPHRSFZ-UHFFFAOYSA-N 2 0 315.452 2.524 20 0 DFADRP CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)[C@H]1CCCC[NH+]1C1CCCC1 ZINC000622408570 399252083 /nfs/dbraw/zinc/25/20/83/399252083.db2.gz CPNQDGUCZMRFCF-QZTJIDSGSA-N 2 0 321.509 2.726 20 0 DFADRP CN(C)CC[NH+]1CCC(C[NH2+]C2CC3(C2)CCCCC3)CC1 ZINC000421331193 296245145 /nfs/dbraw/zinc/24/51/45/296245145.db2.gz ZKZOTFIPNGOXDI-UHFFFAOYSA-N 2 0 307.526 2.963 20 0 DFADRP C[N@@H+]1CCN(CC[NH2+]Cc2cccc(C3CC3)c2)CC1(C)C ZINC000421355944 296247289 /nfs/dbraw/zinc/24/72/89/296247289.db2.gz KJSDFQRMZRVSIL-UHFFFAOYSA-N 2 0 301.478 2.680 20 0 DFADRP CON1CCC([NH2+]C2CC[NH+]([C@@H]3CCCC[C@@H]3C)CC2)CC1 ZINC000421402382 296252827 /nfs/dbraw/zinc/25/28/27/296252827.db2.gz VSKPWIDEEOPPMG-MAUKXSAKSA-N 2 0 309.498 2.645 20 0 DFADRP CC(C)[C@@H](C[NH2+]Cc1ccc(Cl)s1)N1CC[NH+](C)CC1 ZINC000040435521 183066599 /nfs/dbraw/zinc/06/65/99/183066599.db2.gz LJHBOHWEJKEAIW-CQSZACIVSA-N 2 0 315.914 2.763 20 0 DFADRP C[NH+](C)Cc1cccc(NC(=O)N[C@@H]2CC[NH2+]C3(CCC3)C2)c1 ZINC000623053285 399319664 /nfs/dbraw/zinc/31/96/64/399319664.db2.gz AHTBZRUBIZOVSE-MRXNPFEDSA-N 2 0 316.449 2.544 20 0 DFADRP C[NH+](C)Cc1cccc(NC(=O)NCC2([NH3+])CCCCCC2)c1 ZINC000623054752 399320110 /nfs/dbraw/zinc/32/01/10/399320110.db2.gz YGWSYHMZBMCYIR-UHFFFAOYSA-N 2 0 318.465 2.921 20 0 DFADRP CN(CCC[NH2+][C@@H]1CCC[C@H](c2cccnc2)C1)CC[NH+](C)C ZINC000623088052 399324892 /nfs/dbraw/zinc/32/48/92/399324892.db2.gz UEJPFFNVYZPJGG-PKOBYXMFSA-N 2 0 318.509 2.581 20 0 DFADRP CN(CCC[NH2+]Cc1csc2ccccc12)CC[NH+](C)C ZINC000623088525 399324976 /nfs/dbraw/zinc/32/49/76/399324976.db2.gz QONKIGAXSMHNLZ-UHFFFAOYSA-N 2 0 305.491 2.874 20 0 DFADRP CC(C)[C@@H](C[NH2+][C@@H](C)c1ccncc1Cl)N1CC[NH+](C)CC1 ZINC000421821348 296276880 /nfs/dbraw/zinc/27/68/80/296276880.db2.gz QZTOZLISZHETNE-WMLDXEAASA-N 2 0 324.900 2.658 20 0 DFADRP CO[C@H](C)[C@@H](C)[NH2+]Cc1ccc(OC2CC[NH+](C)CC2)cc1 ZINC000284510688 218058286 /nfs/dbraw/zinc/05/82/86/218058286.db2.gz YJFOWWAUCDFKOH-HUUCEWRRSA-N 2 0 306.450 2.673 20 0 DFADRP C[C@@H]([C@@H]1CC[N@H+](Cc2ccccc2)C1)N1CCc2n[nH]cc2C1 ZINC000623242307 399345351 /nfs/dbraw/zinc/34/53/51/399345351.db2.gz WOPHDOGKDPTQSS-DOTOQJQBSA-N 2 0 310.445 2.678 20 0 DFADRP C[C@@H]1C[C@@H]1c1ccc(C[NH2+]CC2CC[NH+](CCN(C)C)CC2)o1 ZINC000105451324 194103942 /nfs/dbraw/zinc/10/39/42/194103942.db2.gz JDFLZFJJVCHFCK-QAPCUYQASA-N 2 0 319.493 2.766 20 0 DFADRP CC1CC[NH+](Cc2cccc(C[NH2+]Cc3cncn3C)c2)CC1 ZINC000105459498 194104939 /nfs/dbraw/zinc/10/49/39/194104939.db2.gz SPTCDZQQJNAINY-UHFFFAOYSA-N 2 0 312.461 2.942 20 0 DFADRP CC[NH+](CC)[C@@H](C(=O)N(C)CC[C@H]([NH3+])C(C)C)c1ccccc1 ZINC000237039571 284753318 /nfs/dbraw/zinc/75/33/18/284753318.db2.gz XWRIOFAQOIDTCO-ZWKOTPCHSA-N 2 0 319.493 2.901 20 0 DFADRP C[N@@H+]1CC[C@@H](NCCC[NH+]2CCc3ccccc3C2)CC1(C)C ZINC000623347531 399367954 /nfs/dbraw/zinc/36/79/54/399367954.db2.gz CUQXRAQBNWSCPJ-LJQANCHMSA-N 3 0 315.505 2.897 20 0 DFADRP CCOc1ccccc1C[N@H+](C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000105862275 194149920 /nfs/dbraw/zinc/14/99/20/194149920.db2.gz OVSDHQPBJSQJTH-INIZCTEOSA-N 2 0 320.477 2.610 20 0 DFADRP C[C@@H](N[C@H]1CC[N@H+](C)C(C)(C)C1)c1nnc2n1CCCCC2 ZINC000623352100 399369535 /nfs/dbraw/zinc/36/95/35/399369535.db2.gz OXNVZAGHVADLFU-KGLIPLIRSA-N 2 0 305.470 2.528 20 0 DFADRP FC(F)(F)c1cc(C[NH2+]CCCC[NH+]2CCOCC2)cs1 ZINC000623358437 399371233 /nfs/dbraw/zinc/37/12/33/399371233.db2.gz AEKOCXQTABNUBQ-UHFFFAOYSA-N 2 0 322.396 2.969 20 0 DFADRP C[N@@H+]1CC[C@H]([NH2+]C2CCN(Cc3ccncc3)CC2)CC1(C)C ZINC000623363033 399372921 /nfs/dbraw/zinc/37/29/21/399372921.db2.gz VKOGWTSQESPCBH-SFHVURJKSA-N 2 0 316.493 2.508 20 0 DFADRP C[N@@H+]1CC[C@@H]([NH2+]CCCc2nc3ccccc3[nH]2)CC1(C)C ZINC000623378687 399376165 /nfs/dbraw/zinc/37/61/65/399376165.db2.gz LQWFVRUERGGHSL-CQSZACIVSA-N 2 0 300.450 2.958 20 0 DFADRP CC[C@@H](C(=O)N1CC[NH+](CCC(C)(C)C)CC1)[NH+](CC)CC ZINC000345840349 284771476 /nfs/dbraw/zinc/77/14/76/284771476.db2.gz INYAJHAELLYQDW-INIZCTEOSA-N 2 0 311.514 2.687 20 0 DFADRP C[N@@H+]1CC[C@H]([NH2+][C@H]2CCc3nc(C(C)(C)C)cn3C2)CC1(C)C ZINC000623388274 399377538 /nfs/dbraw/zinc/37/75/38/399377538.db2.gz CTIXHHTYWPQWMY-GJZGRUSLSA-N 2 0 318.509 2.958 20 0 DFADRP C[N@@H+]1CC[C@@H]([NH2+][C@@H]2CCc3nc(C(C)(C)C)cn3C2)CC1(C)C ZINC000623388275 399377816 /nfs/dbraw/zinc/37/78/16/399377816.db2.gz CTIXHHTYWPQWMY-HUUCEWRRSA-N 2 0 318.509 2.958 20 0 DFADRP CC(C)[C@H](C(=O)NC[C@@H](c1ccco1)[NH+]1CCCCC1)[NH+](C)C ZINC000106426121 194212140 /nfs/dbraw/zinc/21/21/40/194212140.db2.gz LJRXGYRWQSHVKF-DOTOQJQBSA-N 2 0 321.465 2.509 20 0 DFADRP CC[NH+](CC)[C@H](C(=O)N(C)C1CC[NH+](C)CC1)c1ccccc1 ZINC000264124942 284784702 /nfs/dbraw/zinc/78/47/02/284784702.db2.gz FWPWKBGYHSZEFB-SFHVURJKSA-N 2 0 317.477 2.622 20 0 DFADRP CC[NH+](CC)[C@H](C(=O)N[C@H](C)[C@H]1CCC[NH2+]C1)c1ccccc1 ZINC000269202920 284789279 /nfs/dbraw/zinc/78/92/79/284789279.db2.gz NFAIDYBQDQTLTQ-NJAFHUGGSA-N 2 0 317.477 2.574 20 0 DFADRP CC[C@H]([NH2+]CC[C@@H]([NH3+])Cc1ccccc1)C1(C(=O)OC)CCC1 ZINC000602018360 399385445 /nfs/dbraw/zinc/38/54/45/399385445.db2.gz AOAXATATUWUHAG-SJORKVTESA-N 2 0 318.461 2.658 20 0 DFADRP COC(=O)CCC[C@@H]1CCC[C@H]([NH2+][C@H]2CC[C@H](C[NH3+])CC2)C1 ZINC000602021509 399386259 /nfs/dbraw/zinc/38/62/59/399386259.db2.gz PBIKOUKIOIRURV-QAETUUGQSA-N 2 0 310.482 2.996 20 0 DFADRP C[NH+]1CCC(Oc2ccc(C[NH2+]C[C@H]3CCC=CO3)cc2)CC1 ZINC000285239276 218346412 /nfs/dbraw/zinc/34/64/12/218346412.db2.gz SJPOCFMZGVALIP-LJQANCHMSA-N 2 0 316.445 2.942 20 0 DFADRP COc1cccc(O[C@H](C)C[NH2+][C@@H]2CC[N@H+](C)C(C)(C)C2)c1 ZINC000623432147 399387854 /nfs/dbraw/zinc/38/78/54/399387854.db2.gz GIRLRNJVUNTHNT-HUUCEWRRSA-N 2 0 306.450 2.925 20 0 DFADRP COc1cc2c(cc1F)[nH+]ccc2N1CCC2(CC[NH2+]2)CC1 ZINC000422538270 296311445 /nfs/dbraw/zinc/31/14/45/296311445.db2.gz IECLWSURBJOMGZ-UHFFFAOYSA-N 2 0 301.365 2.715 20 0 DFADRP COCCOc1ccc(C[N@@H+]2C[C@H](C[NH3+])[C@H](C)C[C@H]2C)cc1 ZINC000422561261 296312606 /nfs/dbraw/zinc/31/26/06/296312606.db2.gz KFVHNBNJYOOCHX-INMHGKMJSA-N 2 0 306.450 2.517 20 0 DFADRP C[N@H+](Cc1ccccc1)CC(C)(C)CN1CCC2(CC[NH2+]2)CC1 ZINC000422564351 296312951 /nfs/dbraw/zinc/31/29/51/296312951.db2.gz VSKPADSKVLUIDX-UHFFFAOYSA-N 2 0 315.505 2.973 20 0 DFADRP CCOc1ccc(C[N@@H+]2C[C@H](C[NH3+])[C@H](C)C[C@@H]2C)cc1OC ZINC000422562407 296312714 /nfs/dbraw/zinc/31/27/14/296312714.db2.gz PXOOHNOSECGFGV-YCPHGPKFSA-N 2 0 306.450 2.899 20 0 DFADRP C[C@H](Cn1ccnc1)[NH2+][C@@H](C)c1cccc(OCC[NH+](C)C)c1 ZINC000268850004 207018997 /nfs/dbraw/zinc/01/89/97/207018997.db2.gz WKJTXWCBTSPRKM-CVEARBPZSA-N 2 0 316.449 2.563 20 0 DFADRP C[C@H](CC[NH+](C)C)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000268862837 207031076 /nfs/dbraw/zinc/03/10/76/207031076.db2.gz CDAVGOYKEWHFMN-QGZVFWFLSA-N 2 0 303.494 2.623 20 0 DFADRP C[C@@H]([NH3+])C1CC[NH+](Cc2csc(-c3ccccn3)n2)CC1 ZINC000110649157 194345939 /nfs/dbraw/zinc/34/59/39/194345939.db2.gz AGMRNBHILPTUKK-GFCCVEGCSA-N 2 0 302.447 2.764 20 0 DFADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1[NH2+]CCc1ccn(-c2ccccc2)n1 ZINC000268887905 207057626 /nfs/dbraw/zinc/05/76/26/207057626.db2.gz XOEAYZZJSPTGQH-GJYPPUQNSA-N 2 0 312.461 2.733 20 0 DFADRP CCC[N@@H+]1CC[C@H](NC(=O)[C@H](c2ccccc2)[NH+](CC)CC)C1 ZINC000619900369 399403242 /nfs/dbraw/zinc/40/32/42/399403242.db2.gz ZSZOQRYSBRKCDI-ROUUACIJSA-N 2 0 317.477 2.670 20 0 DFADRP COc1ccccc1[C@H](CN[C@H]1CCC[C@H]1[NH3+])[NH+]1CCCCC1 ZINC000422704996 296319084 /nfs/dbraw/zinc/31/90/84/296319084.db2.gz BCJZGUXWJQHVFI-SQNIBIBYSA-N 2 0 317.477 2.692 20 0 DFADRP CC(C)n1ncc2c1C[C@@H]([NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1)CC2 ZINC000623505801 399404483 /nfs/dbraw/zinc/40/44/83/399404483.db2.gz QOOCDIUFIBMSCC-JKSUJKDBSA-N 2 0 304.482 2.784 20 0 DFADRP [NH3+]C[C@@H]1CCC[C@H]1[NH2+]Cc1ccc(NC(=O)c2ccco2)cc1 ZINC000422707555 296319556 /nfs/dbraw/zinc/31/95/56/296319556.db2.gz ALEDHQYAXAQQIZ-GOEBONIOSA-N 2 0 313.401 2.749 20 0 DFADRP COc1ccc(CC[NH2+][C@@H]2CCCCC[C@@H]2[NH3+])c(OC)c1OC ZINC000422709361 296319634 /nfs/dbraw/zinc/31/96/34/296319634.db2.gz YZLIYWKJUWDLLS-LSDHHAIUSA-N 2 0 322.449 2.505 20 0 DFADRP CC[C@H](C[NH2+][C@@H]1CCOC[C@H]1[C@H]1CCC[NH2+]1)c1ccccc1 ZINC000422709777 296319704 /nfs/dbraw/zinc/31/97/04/296319704.db2.gz FBGBEHRQFQJEBT-QXCFHYIPSA-N 2 0 302.462 2.927 20 0 DFADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]C[C@H](C)N1CCc2ccccc21 ZINC000422710228 296319708 /nfs/dbraw/zinc/31/97/08/296319708.db2.gz FJLXTPPUFHWKJJ-GJZGRUSLSA-N 2 0 324.472 2.951 20 0 DFADRP COc1ccc(C[NH2+][C@H](C)c2ccc(C[NH3+])nc2C)c(OC)c1 ZINC000422713553 296320295 /nfs/dbraw/zinc/32/02/95/296320295.db2.gz HPTJEDDAPSPEKE-GFCCVEGCSA-N 2 0 315.417 2.717 20 0 DFADRP COc1ccc(C[NH2+][C@@H](C)c2ccc(C[NH3+])nc2C)c(OC)c1 ZINC000422713587 296320028 /nfs/dbraw/zinc/32/00/28/296320028.db2.gz HPTJEDDAPSPEKE-LBPRGKRZSA-N 2 0 315.417 2.717 20 0 DFADRP COc1ccc(CCC[NH2+][C@@H]2CCCCC[C@H]2[NH3+])cc1OC ZINC000422719011 296321023 /nfs/dbraw/zinc/32/10/23/296321023.db2.gz LSTWNAWIHPDQFQ-HZPDHXFCSA-N 2 0 306.450 2.886 20 0 DFADRP [NH3+]C[C@H]1CCCC[C@@H]1[NH2+]C1CCN(Cc2ccc(F)cc2)CC1 ZINC000422715316 296320550 /nfs/dbraw/zinc/32/05/50/296320550.db2.gz JBPBEMUIDSVZHV-APWZRJJASA-N 2 0 319.468 2.897 20 0 DFADRP CCC(CC)[C@H](O)C[NH2+][C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422718879 296320861 /nfs/dbraw/zinc/32/08/61/296320861.db2.gz XXYMUPYPIALSBP-LMMKCTJWSA-N 2 0 318.461 2.629 20 0 DFADRP CC[C@H](NC[C@H](c1ccc(F)cc1)[NH+](C)C)[C@H]1CCCC[NH2+]1 ZINC000422716297 296320891 /nfs/dbraw/zinc/32/08/91/296320891.db2.gz UFFZFURMGWRBSO-RCCFBDPRSA-N 2 0 307.457 2.939 20 0 DFADRP CCOc1ccccc1OCC[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000268962829 207125982 /nfs/dbraw/zinc/12/59/82/207125982.db2.gz GBNFZUKTSJTCKW-DLBZAZTESA-N 2 0 318.461 2.880 20 0 DFADRP C[C@H](NC[C@H]1CC[N@H+](CCc2ccccc2)C1)c1c[nH+]ccc1N ZINC000422721609 296321259 /nfs/dbraw/zinc/32/12/59/296321259.db2.gz VURTUSDODBPCSI-FUHWJXTLSA-N 2 0 324.472 2.709 20 0 DFADRP C(C1CC1)[NH+]1CCC(N[C@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)CC1 ZINC000422724957 296322069 /nfs/dbraw/zinc/32/20/69/296322069.db2.gz XGNKLAZNZUPRSL-OTWHNJEPSA-N 2 0 305.510 2.761 20 0 DFADRP C[C@H](NC1CC[NH+](Cc2ccccc2)CC1)c1c[nH+]ccc1N ZINC000422726633 296322087 /nfs/dbraw/zinc/32/20/87/296322087.db2.gz FQKIZRQVLXBCDI-HNNXBMFYSA-N 2 0 310.445 2.809 20 0 DFADRP CCC(CC)C(=O)N1CCC([NH2+][C@@H](C)[C@H]2CCCC[NH2+]2)CC1 ZINC000422724861 296322244 /nfs/dbraw/zinc/32/22/44/296322244.db2.gz WVKHVINJCXJFID-WMLDXEAASA-N 2 0 309.498 2.534 20 0 DFADRP [NH3+]CC1CCC([NH2+]C[C@@H](c2cccs2)N2CCCC2)CC1 ZINC000422728441 296322878 /nfs/dbraw/zinc/32/28/78/296322878.db2.gz GJTWJTMTMIVBDM-GPANFISMSA-N 2 0 307.507 2.992 20 0 DFADRP [NH3+]CC1CCC([NH2+]C[C@H](c2cccs2)N2CCCC2)CC1 ZINC000422728442 296322923 /nfs/dbraw/zinc/32/29/23/296322923.db2.gz GJTWJTMTMIVBDM-UYSNPLJNSA-N 2 0 307.507 2.992 20 0 DFADRP c1cc(C[NH2+]Cc2ccc(OCC[NH+]3CCCC3)cc2)sn1 ZINC000623597696 399423873 /nfs/dbraw/zinc/42/38/73/399423873.db2.gz ZSPOZXHREALJTA-UHFFFAOYSA-N 2 0 317.458 2.908 20 0 DFADRP CC[C@@H]1CCCC[N@@H+]1CCN[C@H](Cc1ccccc1)[C@@H](C)[NH3+] ZINC000422730987 296323277 /nfs/dbraw/zinc/32/32/77/296323277.db2.gz MXXBNXJJFNQNRV-BHIYHBOVSA-N 2 0 303.494 2.799 20 0 DFADRP COCCOc1ccc([C@H](C)[NH2+]CCCC[NH+](C)C)cc1OC ZINC000269029087 207176583 /nfs/dbraw/zinc/17/65/83/207176583.db2.gz RFKXOGXNNUBXOJ-HNNXBMFYSA-N 2 0 324.465 2.713 20 0 DFADRP C[C@H]1C[C@@H](NC[C@H]2CCC[NH+]2C)CC[N@@H+]1Cc1ccccc1 ZINC000623634930 399432592 /nfs/dbraw/zinc/43/25/92/399432592.db2.gz IGYKJEJUIXMDDT-YTQUADARSA-N 2 0 301.478 2.723 20 0 DFADRP C[C@H]1O[C@@H](C)[C@@H](C)[C@@H]1[NH2+]Cc1ccc(OCC[NH+](C)C)cc1 ZINC000623723960 399450959 /nfs/dbraw/zinc/45/09/59/399450959.db2.gz LYFYZMDXCQCZEA-FSZRXZPDSA-N 2 0 306.450 2.529 20 0 DFADRP CCO[C@@H](CC[NH+](C)C)C[NH2+][C@@H]1CCc2c1cccc2OC ZINC000269096980 207237415 /nfs/dbraw/zinc/23/74/15/207237415.db2.gz SANFTUSGJKQPIS-WMLDXEAASA-N 2 0 306.450 2.629 20 0 DFADRP COC(=O)c1cc(C[NH+]2CCC(CCC[NH+](C)C)CC2)[nH]c1C ZINC000602478083 399457017 /nfs/dbraw/zinc/45/70/17/399457017.db2.gz VXIAOEUMDGIDQD-UHFFFAOYSA-N 2 0 321.465 2.664 20 0 DFADRP C[N@@H+]1CCC[C@H]1CC[NH+](CCCO)[C@@H]1CCc2ccccc21 ZINC000269129722 207262934 /nfs/dbraw/zinc/26/29/34/207262934.db2.gz IUIZWJAEZCFJTC-PKOBYXMFSA-N 2 0 302.462 2.843 20 0 DFADRP C[N@@H+]1CCC[C@@H]1CC[NH+](CCCO)[C@H]1CCc2ccccc21 ZINC000269129720 207263114 /nfs/dbraw/zinc/26/31/14/207263114.db2.gz IUIZWJAEZCFJTC-MJGOQNOKSA-N 2 0 302.462 2.843 20 0 DFADRP Cc1cc(C[NH+]2CCC(C[NH3+])CC2)sc1Br ZINC000346692094 284926707 /nfs/dbraw/zinc/92/67/07/284926707.db2.gz YUSOIEVECYLZJE-UHFFFAOYSA-N 2 0 303.269 2.990 20 0 DFADRP CCCC[N@H+](C)CC1CC[NH+](CC(=O)N2CCC[C@H](C)C2)CC1 ZINC000052208892 425883966 /nfs/dbraw/zinc/88/39/66/425883966.db2.gz MZIITSWELPZXTK-KRWDZBQOSA-N 2 0 323.525 2.689 20 0 DFADRP CCC[N@H+](CC)Cc1ccc(C(=O)N2CC[C@@H]([NH3+])[C@@H](C)C2)cc1 ZINC000269200960 207320270 /nfs/dbraw/zinc/32/02/70/207320270.db2.gz KHDVLBGPFOCAEZ-MAUKXSAKSA-N 2 0 317.477 2.728 20 0 DFADRP CC[N@@H+]1CCC[C@H](N[C@@H](c2ccc(OC)cc2)[C@H]2CCC[NH2+]2)C1 ZINC000422738522 296324050 /nfs/dbraw/zinc/32/40/50/296324050.db2.gz JOBAXRSLEQYDAQ-UHOSZYNNSA-N 2 0 317.477 2.562 20 0 DFADRP COC[C@@H](CCC[NH3+])[NH2+]CCc1c(Cl)cccc1Cl ZINC000422745871 296325207 /nfs/dbraw/zinc/32/52/07/296325207.db2.gz YIYZJKNKKJIKAD-LLVKDONJSA-N 2 0 305.249 2.879 20 0 DFADRP CC(C)NC(=O)[C@@H]1CCC[C@H]([NH2+][C@H]2C[C@H]([NH3+])c3ccccc32)C1 ZINC000422745657 296325227 /nfs/dbraw/zinc/32/52/27/296325227.db2.gz MTKHDJCCOLABPC-BODMPHMZSA-N 2 0 315.461 2.804 20 0 DFADRP C[NH+]1CCC(CC[NH2+][C@H]2CCN[C@H](c3ccccc3)C2)CC1 ZINC000422742244 296324550 /nfs/dbraw/zinc/32/45/50/296324550.db2.gz PUEDPSQZTYWLHA-OALUTQOASA-N 2 0 301.478 2.801 20 0 DFADRP C[C@@H]([NH2+]CC1(c2cccc(Br)c2)CC1)C1C[NH2+]C1 ZINC000422747967 296325699 /nfs/dbraw/zinc/32/56/99/296325699.db2.gz RIATURHQFNRJMZ-LLVKDONJSA-N 2 0 309.251 2.678 20 0 DFADRP CC(C)[C@@H]([NH3+])C(=O)Nc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000269230836 207353823 /nfs/dbraw/zinc/35/38/23/207353823.db2.gz IDFVLCRHLZIRFE-RHSMWYFYSA-N 2 0 303.450 2.840 20 0 DFADRP CCOc1ccc(CC[NH2+][C@@H]2CCC[C@H]2C[NH3+])cc1OCC ZINC000422751868 296326450 /nfs/dbraw/zinc/32/64/50/296326450.db2.gz DDKUBMIDYOIRDI-JKSUJKDBSA-N 2 0 306.450 2.744 20 0 DFADRP CCOc1ccc(CC[NH2+][C@H]2CCC[C@H]2C[NH3+])cc1OCC ZINC000422751864 296326655 /nfs/dbraw/zinc/32/66/55/296326655.db2.gz DDKUBMIDYOIRDI-HOTGVXAUSA-N 2 0 306.450 2.744 20 0 DFADRP CCS[C@H]1CCCC[C@H]1[NH2+]C1CC[NH+](CC(C)(C)O)CC1 ZINC000602562467 399476353 /nfs/dbraw/zinc/47/63/53/399476353.db2.gz BYFYIIQMCZSZBE-CVEARBPZSA-N 2 0 314.539 2.876 20 0 DFADRP Cc1cc(F)ccc1N1CCC[C@H]([NH2+][C@@H](C)[C@H]2CC[NH2+]C2)C1 ZINC000422754940 296327313 /nfs/dbraw/zinc/32/73/13/296327313.db2.gz GJQSDQOAJLPYEV-ZOBUZTSGSA-N 2 0 305.441 2.691 20 0 DFADRP CC[C@@H]([NH2+]CC1(c2ccc(F)cc2)CCOCC1)[C@@H]1CCC[NH2+]1 ZINC000422755746 296327470 /nfs/dbraw/zinc/32/74/70/296327470.db2.gz GWSJZCNQDFOTKX-MSOLQXFVSA-N 2 0 320.452 2.994 20 0 DFADRP COc1cccc([C@H](CN[C@H](C)[C@H]2CCC[NH2+]2)[NH+]2CCCC2)c1 ZINC000422753632 296326889 /nfs/dbraw/zinc/32/68/89/296326889.db2.gz GDUXWWKZKCRPJR-LZQZEXGQSA-N 2 0 317.477 2.562 20 0 DFADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]C[C@@H](c1ccccc1)N(C)C ZINC000422758716 296328116 /nfs/dbraw/zinc/32/81/16/296328116.db2.gz OFMBHUBWGKWIEW-KUHUBIRLSA-N 2 0 312.461 2.802 20 0 DFADRP COc1ccc([C@@H](C[NH2+][C@@H](C)CCCC[NH3+])N2CCCC2)cc1 ZINC000422760483 296328305 /nfs/dbraw/zinc/32/83/05/296328305.db2.gz QDUZFDRGGWRWQL-QFBILLFUSA-N 2 0 319.493 2.939 20 0 DFADRP CCOc1ccc(CC[NH2+][C@@H](C)[C@H]2CC[NH2+]C2)cc1OCC ZINC000422757083 296327767 /nfs/dbraw/zinc/32/77/67/296327767.db2.gz JKQNNSBUTJIJMY-HOCLYGCPSA-N 2 0 306.450 2.614 20 0 DFADRP CCOc1cc(CCC[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)ccc1OC ZINC000422765001 296329282 /nfs/dbraw/zinc/32/92/82/296329282.db2.gz VSYIYPOHPLUWTF-SJPCQFCGSA-N 2 0 318.461 2.899 20 0 DFADRP [NH3+][C@H]1C[C@H]([NH2+]CCCN2CCCCCC2=O)c2ccccc21 ZINC000422768214 296329965 /nfs/dbraw/zinc/32/99/65/296329965.db2.gz ZEWRXRNHUGUJMO-IRXDYDNUSA-N 2 0 301.434 2.514 20 0 DFADRP COc1cccc(N2CCC[C@H]([NH2+][C@H]3CCCC[C@H]3C[NH3+])C2)c1 ZINC000422770771 296330324 /nfs/dbraw/zinc/33/03/24/296330324.db2.gz XFWHBVFVGNLYHZ-BXWFABGCSA-N 2 0 317.477 2.771 20 0 DFADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]C[C@H](CCO)c1ccccc1 ZINC000422775241 296331035 /nfs/dbraw/zinc/33/10/35/296331035.db2.gz AURSVGJZBCBZHC-PBHICJAKSA-N 2 0 313.445 2.666 20 0 DFADRP Cc1cccc([C@H](C)C[NH2+][C@@H]2CCOC[C@H]2[C@@H]2CCC[NH2+]2)c1 ZINC000422775953 296331061 /nfs/dbraw/zinc/33/10/61/296331061.db2.gz CRDPAYRBILRJCE-XGXHKWSGSA-N 2 0 302.462 2.845 20 0 DFADRP CCOC(=O)C1([C@H](C)[NH2+][C@H]2C[C@H](C)C[C@H](C)C2)CC[NH2+]CC1 ZINC000422774487 296331101 /nfs/dbraw/zinc/33/11/01/296331101.db2.gz XEYINLFXGKCZQN-XUWVNRHRSA-N 2 0 310.482 2.722 20 0 DFADRP C[C@@H]1CC[NH2+]C[C@@H]1NC[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000422781642 296331789 /nfs/dbraw/zinc/33/17/89/296331789.db2.gz LZGZOOMMWYASEP-QRQLOZEOSA-N 2 0 301.478 2.629 20 0 DFADRP Cc1nc(C[NH3+])ccc1[C@@H](C)NCCC[NH+]1CCC(C)CC1 ZINC000422781065 296332034 /nfs/dbraw/zinc/33/20/34/296332034.db2.gz KDMPBXFJMJTFSZ-OAHLLOKOSA-N 2 0 304.482 2.621 20 0 DFADRP CCO[C@@H]1C[C@@H]([NH2+][C@@H](C)c2ccc(C[NH3+])nc2C)C12CCC2 ZINC000422783252 296332190 /nfs/dbraw/zinc/33/21/90/296332190.db2.gz NXFDXNWKPJHQTK-IAOVAPTHSA-N 2 0 303.450 2.847 20 0 DFADRP CCO[C@@H]1C[C@H]([NH2+][C@@H](C)c2ccc(C[NH3+])nc2C)C12CCC2 ZINC000422783254 296332195 /nfs/dbraw/zinc/33/21/95/296332195.db2.gz NXFDXNWKPJHQTK-RRQGHBQHSA-N 2 0 303.450 2.847 20 0 DFADRP C[C@@H]([NH2+]C1CCN(Cc2ccc(Cl)cc2)CC1)[C@@H]1CC[NH2+]C1 ZINC000422784075 296332218 /nfs/dbraw/zinc/33/22/18/296332218.db2.gz LVALOBHTAKYUPW-GDBMZVCRSA-N 2 0 321.896 2.892 20 0 DFADRP C[C@H]1CC[NH2+]C[C@@H]1NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000422783850 296332384 /nfs/dbraw/zinc/33/23/84/296332384.db2.gz IARNWKAVIILXKB-LPHOPBHVSA-N 2 0 301.478 2.760 20 0 DFADRP C[NH+](C)C1(CN[C@@H]2C[C@@H]([NH3+])c3ccccc32)Cc2ccccc2C1 ZINC000422785245 296332573 /nfs/dbraw/zinc/33/25/73/296332573.db2.gz PFPGNRXJXFFYKB-WOJBJXKFSA-N 2 0 321.468 2.820 20 0 DFADRP CC[NH+]1CCC(CC[NH2+][C@H](Cc2ccccc2)[C@@H](C)[NH3+])CC1 ZINC000422786032 296332771 /nfs/dbraw/zinc/33/27/71/296332771.db2.gz NZVZSIFBEQAMIF-VQIMIIECSA-N 3 0 303.494 2.657 20 0 DFADRP COc1ccc(OCC[NH2+][C@@H](Cc2ccccc2)[C@H](C)[NH3+])cc1 ZINC000422789364 296332874 /nfs/dbraw/zinc/33/28/74/296332874.db2.gz OFECLNOSDOGWBC-KXBFYZLASA-N 2 0 314.429 2.622 20 0 DFADRP [NH3+]CC1CCC([NH2+]Cc2ccc(C[NH+]3CCCC3)cc2)CC1 ZINC000422787732 296332924 /nfs/dbraw/zinc/33/29/24/296332924.db2.gz QGGZNPFICLXTAY-UHFFFAOYSA-N 3 0 301.478 2.890 20 0 DFADRP CCCCOCC[NH2+][C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422789824 296333386 /nfs/dbraw/zinc/33/33/86/296333386.db2.gz WZLAWSDYQBUNEQ-FUHWJXTLSA-N 2 0 304.434 2.649 20 0 DFADRP Cc1nn(Cc2ccccc2)c(C)c1C[NH2+][C@@H]1CCC[C@H]1C[NH3+] ZINC000422791658 296333759 /nfs/dbraw/zinc/33/37/59/296333759.db2.gz QLUKWGUTNHZGSX-PKOBYXMFSA-N 2 0 312.461 2.765 20 0 DFADRP CCOC(=O)C1([C@H](C)[NH2+][C@@H]2CCC[C@@H](CC)C2)CC[NH2+]CC1 ZINC000422791604 296333762 /nfs/dbraw/zinc/33/37/62/296333762.db2.gz WHGGJTILGMRDPO-ARFHVFGLSA-N 2 0 310.482 2.866 20 0 DFADRP C[C@@H]([NH3+])[C@H](Cc1ccccc1)NCCC[NH+]1CCC(C)CC1 ZINC000422791580 296333777 /nfs/dbraw/zinc/33/37/77/296333777.db2.gz WFRBSPKTTDKTCS-MJGOQNOKSA-N 2 0 303.494 2.657 20 0 DFADRP C[C@H](C[NH2+][C@@H](C)C[C@H](C)[NH3+])Oc1cccc(Br)c1 ZINC000422796061 296334426 /nfs/dbraw/zinc/33/44/26/296334426.db2.gz IKQCWJFYNBRAOT-SDDRHHMPSA-N 2 0 315.255 2.932 20 0 DFADRP CC(C)C(=O)Nc1ccc(C[NH2+][C@H]2CCCC[C@H]2C[NH3+])cc1 ZINC000422798420 296334692 /nfs/dbraw/zinc/33/46/92/296334692.db2.gz QZXGIAZIIGYQPF-RDJZCZTQSA-N 2 0 303.450 2.888 20 0 DFADRP CC[C@H](CN[C@H](C)[C@@H]1CCC[NH2+]1)[N@@H+]1CCc2ccccc2C1 ZINC000422801468 296335575 /nfs/dbraw/zinc/33/55/75/296335575.db2.gz BZKJSABIYSSHRS-LZQZEXGQSA-N 2 0 301.478 2.553 20 0 DFADRP C[C@H](C[C@H](C)[NH3+])[NH2+]CC1(c2ccc3c(c2)OCCO3)CCCC1 ZINC000422798362 296334924 /nfs/dbraw/zinc/33/49/24/296334924.db2.gz QTWHDEWJXFJYLQ-LSDHHAIUSA-N 2 0 318.461 2.985 20 0 DFADRP C[C@@H]([NH3+])C[C@@H](C)[NH2+]CC1(c2ccc3c(c2)OCCO3)CCCC1 ZINC000422798361 296334969 /nfs/dbraw/zinc/33/49/69/296334969.db2.gz QTWHDEWJXFJYLQ-HUUCEWRRSA-N 2 0 318.461 2.985 20 0 DFADRP COc1ccc2cc(C[NH2+][C@@H]3CCOC[C@@H]3[C@H](C)[NH3+])ccc2c1 ZINC000422797760 296334984 /nfs/dbraw/zinc/33/49/84/296334984.db2.gz OJQAQAMLLWMSMM-MJXNMMHHSA-N 2 0 314.429 2.690 20 0 DFADRP [NH3+]CC1CCC([NH2+][C@@H](CN2CCCC2)c2ccccc2)CC1 ZINC000422800601 296335328 /nfs/dbraw/zinc/33/53/28/296335328.db2.gz CKADLBGUQBBAHA-KVZIAJEVSA-N 2 0 301.478 2.931 20 0 DFADRP C[C@H]1CC[NH2+]CC[C@@H]1[NH2+]Cc1cccc(C[NH+]2CCCC2)c1 ZINC000422804957 296336420 /nfs/dbraw/zinc/33/64/20/296336420.db2.gz IOLFSMTWIQUYHH-LPHOPBHVSA-N 3 0 301.478 2.760 20 0 DFADRP CC[C@@H]1Oc2cc([C@H](C)[NH2+][C@@H](C)CCC[NH3+])ccc2NC1=O ZINC000422801693 296335699 /nfs/dbraw/zinc/33/56/99/296335699.db2.gz ADERHSMXDWTRNC-HUBLWGQQSA-N 2 0 305.422 2.574 20 0 DFADRP c1cn(Cc2ccccc2C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)cn1 ZINC000422803958 296335781 /nfs/dbraw/zinc/33/57/81/296335781.db2.gz DRMNARZRDWGDTD-XUVXKRRUSA-N 2 0 324.472 2.942 20 0 DFADRP CCOC(=O)C1([C@H](C)[NH2+][C@H]2CCCC[C@H]2CC)CC[NH2+]CC1 ZINC000422808725 296336994 /nfs/dbraw/zinc/33/69/94/296336994.db2.gz LJGOXGQFSQMSPK-XHSDSOJGSA-N 2 0 310.482 2.866 20 0 DFADRP CC[C@H](C[NH2+][C@H]1CCC[C@@H]1C[NH3+])N1CCc2ccccc2C1 ZINC000422814130 296338019 /nfs/dbraw/zinc/33/80/19/296338019.db2.gz ZQORTVOEWWXQQT-QRQLOZEOSA-N 2 0 301.478 2.540 20 0 DFADRP FC(F)(F)c1csc(CC[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)n1 ZINC000422813082 296338042 /nfs/dbraw/zinc/33/80/42/296338042.db2.gz XIQFPWDEFOFAGT-ULKQDVFKSA-N 2 0 305.369 2.577 20 0 DFADRP CCOC(=O)C1([C@H](C)[NH2+][C@@H](C)Cc2cccs2)CC[NH2+]CC1 ZINC000422813646 296338067 /nfs/dbraw/zinc/33/80/67/296338067.db2.gz YJFCVFDETHREHR-KBPBESRZSA-N 2 0 324.490 2.590 20 0 DFADRP c1cnn(-c2ccc(CC[NH2+][C@@H]3CCC[C@@H]3[C@H]3CCC[NH2+]3)cc2)c1 ZINC000422819205 296338924 /nfs/dbraw/zinc/33/89/24/296338924.db2.gz HPXGGGUUBVRDKG-XUVXKRRUSA-N 2 0 324.472 2.925 20 0 DFADRP Cc1nc(C[NH3+])ccc1[C@H](C)NC1CC[NH+](CC(C)C)CC1 ZINC000422819305 296339005 /nfs/dbraw/zinc/33/90/05/296339005.db2.gz MPRBHEMHQPVUKD-AWEZNQCLSA-N 2 0 304.482 2.620 20 0 DFADRP CN(CC[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1)Cc1ccc(F)cc1 ZINC000422820163 296339041 /nfs/dbraw/zinc/33/90/41/296339041.db2.gz PFMMJFHKKDCCBV-OTWHNJEPSA-N 2 0 319.468 2.768 20 0 DFADRP C[C@H]1C[N@H+](Cc2ccc(C(=O)Nc3ccccc3)cc2)C[C@@H]1C[NH3+] ZINC000631841422 399506719 /nfs/dbraw/zinc/50/67/19/399506719.db2.gz KKGPDCTYYSEGHU-YJBOKZPZSA-N 2 0 323.440 2.966 20 0 DFADRP C[C@H](CCN[C@H]1CC[NH2+]CC[C@H]1C)[N@H+](C)Cc1ccccc1 ZINC000422818514 296339195 /nfs/dbraw/zinc/33/91/95/296339195.db2.gz GOMMXGSQLLFNDW-LMMKCTJWSA-N 2 0 303.494 2.875 20 0 DFADRP CCN(CC)C(=O)c1ccc(C[NH2+][C@H]2CC[NH2+]CC[C@H]2C)cc1 ZINC000422816529 296338699 /nfs/dbraw/zinc/33/86/99/296338699.db2.gz ZZVRBGKKUCRKTD-QAPCUYQASA-N 2 0 317.477 2.646 20 0 DFADRP CCN(CC)C(=O)c1ccc(C[NH2+][C@H]2CC[NH2+]CC[C@@H]2C)cc1 ZINC000422816530 296338741 /nfs/dbraw/zinc/33/87/41/296338741.db2.gz ZZVRBGKKUCRKTD-YJBOKZPZSA-N 2 0 317.477 2.646 20 0 DFADRP C[C@@H]([NH2+]Cc1ccc(Cn2cnc3ccccc32)cc1)C1C[NH2+]C1 ZINC000422824070 296339752 /nfs/dbraw/zinc/33/97/52/296339752.db2.gz GFQVYULPUUQRMF-OAHLLOKOSA-N 2 0 320.440 2.782 20 0 DFADRP C[C@H]([NH2+]Cc1ccc(COCC(F)(F)F)cc1)[C@@H]1CC[NH2+]C1 ZINC000422824535 296339780 /nfs/dbraw/zinc/33/97/80/296339780.db2.gz OBCLGUNTIPSGIT-SWLSCSKDSA-N 2 0 316.367 2.853 20 0 DFADRP CC[NH+](CC)[C@H](CN[C@@H](C)[C@@H]1CCC[NH2+]1)Cc1ccccc1 ZINC000422828731 296340789 /nfs/dbraw/zinc/34/07/89/296340789.db2.gz GPKJUCMUMGBEJP-WDSOQIARSA-N 2 0 303.494 2.670 20 0 DFADRP CN(C(=O)C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1)C1CCCCC1 ZINC000422830252 296341105 /nfs/dbraw/zinc/34/11/05/296341105.db2.gz VQBKXJWMNHMWJR-FGTMMUONSA-N 2 0 321.509 2.678 20 0 DFADRP COc1cc(C[NH2+][C@H](C)C[C@H](C)[NH3+])ccc1OCC(F)(F)F ZINC000422831423 296341141 /nfs/dbraw/zinc/34/11/41/296341141.db2.gz STHHQGQSPFKFFP-WDEREUQCSA-N 2 0 320.355 2.852 20 0 DFADRP Cc1ccc([C@H](CN[C@H]2CCC[NH2+]CC2)[NH+]2CCCC2)cc1 ZINC000422830979 296341144 /nfs/dbraw/zinc/34/11/44/296341144.db2.gz RUXCUCLJTHGZJJ-OALUTQOASA-N 2 0 301.478 2.864 20 0 DFADRP CC[NH+](CC)[C@H](CN[C@@H]1CCC[C@H]1C[NH3+])Cc1ccccc1 ZINC000422828281 296340344 /nfs/dbraw/zinc/34/03/44/296340344.db2.gz FUHNBMQRNSDHFE-GBESFXJTSA-N 2 0 303.494 2.657 20 0 DFADRP CC[NH+](CC)[C@@H](CNC1C[C@H]2CC[C@@H](C1)[NH2+]2)Cc1ccccc1 ZINC000422831908 296341489 /nfs/dbraw/zinc/34/14/89/296341489.db2.gz KDAVSUHUGMNDLI-JIRNRHONSA-N 2 0 315.505 2.812 20 0 DFADRP c1cc(N2CCCC2)ncc1C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000422835256 296341616 /nfs/dbraw/zinc/34/16/16/296341616.db2.gz YJKMIBOSVZORDX-FGTMMUONSA-N 2 0 314.477 2.692 20 0 DFADRP CC[C@H](N[C@H]1CCC[N@H+](Cc2ccccc2)C1)[C@@H]1CCC[NH2+]1 ZINC000422834051 296341656 /nfs/dbraw/zinc/34/16/56/296341656.db2.gz NGDAMSRRFTWZDK-FHWLQOOXSA-N 2 0 301.478 2.771 20 0 DFADRP CN(C)c1ccc(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)cn1 ZINC000422836456 296342031 /nfs/dbraw/zinc/34/20/31/296342031.db2.gz REKLAPZQPHJBNN-IXDOHACOSA-N 2 0 302.466 2.548 20 0 DFADRP [NH3+]C[C@@H]1CCC[C@H]1[NH2+]C[C@@H]1CCCN(Cc2cccs2)C1 ZINC000422836181 296342035 /nfs/dbraw/zinc/34/20/35/296342035.db2.gz JKXVQIVCBTXOCT-YQQAZPJKSA-N 2 0 307.507 2.677 20 0 DFADRP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+]CCC(=O)N1CCCCCC1 ZINC000422843007 296343083 /nfs/dbraw/zinc/34/30/83/296343083.db2.gz GRFAUNPOVXRLJT-IAGOWNOFSA-N 2 0 309.498 2.680 20 0 DFADRP C[NH2+]CC1CC[NH+](Cc2ccc(OC(C)C)c(OC)c2)CC1 ZINC000347070042 285011527 /nfs/dbraw/zinc/01/15/27/285011527.db2.gz PCTRRDXPWPPDQP-UHFFFAOYSA-N 2 0 306.450 2.914 20 0 DFADRP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1[NH2+]C[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000422856630 296345630 /nfs/dbraw/zinc/34/56/30/296345630.db2.gz XFFBOGOTKYBPEV-NDKCEZKHSA-N 2 0 308.388 2.697 20 0 DFADRP C[C@H]([NH3+])C[C@H](C)[NH2+]Cc1ccc(NC(=O)c2cccnc2)cc1 ZINC000422850955 296344693 /nfs/dbraw/zinc/34/46/93/296344693.db2.gz WKOUBRIOEMJRLE-KBPBESRZSA-N 2 0 312.417 2.549 20 0 DFADRP C[C@H]([NH3+])[C@H](Cc1ccccc1)NC[C@H](C)[N@@H+]1CCCC[C@H]1C ZINC000422862114 296346417 /nfs/dbraw/zinc/34/64/17/296346417.db2.gz NKUBCIQLQRLFFB-DFEOGRTESA-N 2 0 303.494 2.797 20 0 DFADRP CSCc1cc(F)ccc1C[NH2+][C@@H]1CCOC[C@H]1[C@@H](C)[NH3+] ZINC000422860649 296346470 /nfs/dbraw/zinc/34/64/70/296346470.db2.gz INKWCTXJQSNKRZ-XFBWCDHKSA-N 2 0 312.454 2.531 20 0 DFADRP [NH3+][C@@H]1CCCCC[C@H]1[NH2+][C@H]1CCN(c2c(F)cccc2F)C1 ZINC000422861357 296346511 /nfs/dbraw/zinc/34/65/11/296346511.db2.gz JFFUHXQVDPGDRB-APHBMKBZSA-N 2 0 309.404 2.793 20 0 DFADRP C[C@H]([NH2+]Cc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1)C1C[NH2+]C1 ZINC000422866511 296346975 /nfs/dbraw/zinc/34/69/75/296346975.db2.gz QLQUTAWKDNYOKM-CVEARBPZSA-N 3 0 301.478 2.616 20 0 DFADRP CC[C@@H]([NH2+]C1CCN(CC(F)(F)F)CC1)[C@H]1CCCC[NH2+]1 ZINC000422857572 296345943 /nfs/dbraw/zinc/34/59/43/296345943.db2.gz HABGCKDOKUCCNT-ZIAGYGMSSA-N 2 0 307.404 2.523 20 0 DFADRP C[C@@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]C1CCN(c2ccccn2)CC1 ZINC000422866822 296347226 /nfs/dbraw/zinc/34/72/26/296347226.db2.gz QZKAQDMCVIPKDK-VQIMIIECSA-N 2 0 324.472 2.599 20 0 DFADRP C[C@@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]CCCN(C)CC(F)(F)F ZINC000422868599 296347371 /nfs/dbraw/zinc/34/73/71/296347371.db2.gz VPQNBNLTKLEMAD-KBPBESRZSA-N 2 0 309.420 2.771 20 0 DFADRP CC(C)[NH+](CCCNC(=O)[C@@H](C)[NH+]1CCCCCC1)C(C)C ZINC000347381476 285022206 /nfs/dbraw/zinc/02/22/06/285022206.db2.gz LFSJIVUAMSEIAH-QGZVFWFLSA-N 2 0 311.514 2.876 20 0 DFADRP CCOCCOc1cc(C)ccc1C[NH2+][C@@H]1CC[NH2+]CC[C@H]1C ZINC000422867517 296347467 /nfs/dbraw/zinc/34/74/67/296347467.db2.gz SQHQYYJTJTUASY-SJLPKXTDSA-N 2 0 320.477 2.888 20 0 DFADRP CN(CCC[NH2+][C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1)CC(F)(F)F ZINC000422867695 296347543 /nfs/dbraw/zinc/34/75/43/296347543.db2.gz SZACFWNZVFVLAU-RRFJBIMHSA-N 2 0 321.431 2.771 20 0 DFADRP C[C@@H]1C[C@H](N[C@H]2CCCCC[C@H]2[NH3+])C[N@@H+]1Cc1ccccc1 ZINC000422873376 296348333 /nfs/dbraw/zinc/34/83/33/296348333.db2.gz LEEOQSKOFYSKBH-LULLPPNCSA-N 2 0 301.478 2.899 20 0 DFADRP C[C@@H]([NH2+]CC1CC[NH+](Cc2ccccc2Cl)CC1)C1C[NH2+]C1 ZINC000422875191 296348892 /nfs/dbraw/zinc/34/88/92/296348892.db2.gz CEAPRGAJPVGIHT-CQSZACIVSA-N 3 0 321.896 2.750 20 0 DFADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCN[C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)C1 ZINC000422878071 296349015 /nfs/dbraw/zinc/34/90/15/296349015.db2.gz IVQXDMREIPIQIX-APAFKAMOSA-N 2 0 307.526 2.865 20 0 DFADRP C[C@H]([NH3+])c1ccc(CNC(=O)[C@@H]([NH3+])CC2CCCCC2)cc1 ZINC000422883995 296350119 /nfs/dbraw/zinc/35/01/19/296350119.db2.gz DKEHKSKLSZNVNN-GUYCJALGSA-N 2 0 303.450 2.620 20 0 DFADRP COc1ccc(CC[NH2+][C@H]2CCC[C@H]2C[NH3+])cc1OC(F)F ZINC000422884871 296350485 /nfs/dbraw/zinc/35/04/85/296350485.db2.gz XUKKXGWELZQTIF-STQMWFEESA-N 2 0 314.376 2.556 20 0 DFADRP Cc1ccc(C[NH2+][C@H](C)C[C@@H](C)[NH3+])c(OC[C@H]2CCCO2)c1 ZINC000422881868 296349863 /nfs/dbraw/zinc/34/98/63/296349863.db2.gz ZKUBJVWPNQISNL-BFYDXBDKSA-N 2 0 306.450 2.768 20 0 DFADRP CCCCOc1cccc(C[NH2+][C@@H]2CCOC[C@H]2[C@H](C)[NH3+])c1 ZINC000422889846 296351158 /nfs/dbraw/zinc/35/11/58/296351158.db2.gz GZYOTQFITMHLTK-JCGIZDLHSA-N 2 0 306.450 2.707 20 0 DFADRP C[C@@H]([NH3+])[C@H]1CCCCN1C(=O)NCC1([NH+](C)C)CCCCCC1 ZINC000332338214 532996974 /nfs/dbraw/zinc/99/69/74/532996974.db2.gz NCYXQEJOECJBPV-HZPDHXFCSA-N 2 0 324.513 2.552 20 0 DFADRP CC1CCN(c2ccc(C[NH2+][C@H]3CC[NH2+]CC[C@H]3C)cn2)CC1 ZINC000422890938 296351492 /nfs/dbraw/zinc/35/14/92/296351492.db2.gz JPWYSIFIEUWQEB-AEFFLSMTSA-N 2 0 316.493 2.796 20 0 DFADRP COC1CC[NH+](C(C)(C)CN[C@H]2C[C@H]([NH3+])c3ccccc32)CC1 ZINC000422891292 296351566 /nfs/dbraw/zinc/35/15/66/296351566.db2.gz VBYRXTPMEFXNIG-ROUUACIJSA-N 2 0 317.477 2.610 20 0 DFADRP C[C@H]1CC[NH2+]CC[C@H]1[NH2+]Cc1ccnc(N2CCCCC2)c1 ZINC000422899707 296352699 /nfs/dbraw/zinc/35/26/99/296352699.db2.gz OYKSXHVSIOSCCM-DOTOQJQBSA-N 2 0 302.466 2.550 20 0 DFADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]C[C@H]1CCN(c2ccc(F)cc2)C1 ZINC000422900044 296352832 /nfs/dbraw/zinc/35/28/32/296352832.db2.gz PTNOLNUMCFVIHK-RKVPGOIHSA-N 2 0 305.441 2.630 20 0 DFADRP Cc1nccn1-c1ccc(C[NH2+][C@H]2CCC[C@H]2C[NH3+])cc1F ZINC000422899837 296352851 /nfs/dbraw/zinc/35/28/51/296352851.db2.gz IHECPJKQUJLGSC-HOCLYGCPSA-N 2 0 302.397 2.537 20 0 DFADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]Cc1cc(Br)cs1 ZINC000422900776 296352957 /nfs/dbraw/zinc/35/29/57/296352957.db2.gz RASOWUHTDRQHKY-BXKDBHETSA-N 2 0 303.269 2.988 20 0 DFADRP CCCC[C@@H](C[NH3+])NC(=O)[C@@H](CC)[N@H+](C)Cc1ccccc1 ZINC000422900552 296353116 /nfs/dbraw/zinc/35/31/16/296353116.db2.gz JOLAKUINJJPUKO-DLBZAZTESA-N 2 0 305.466 2.531 20 0 DFADRP C[C@H]1CC[NH2+]CC[C@@H]1[NH2+]Cc1cc(Br)cs1 ZINC000422900779 296353157 /nfs/dbraw/zinc/35/31/57/296353157.db2.gz RASOWUHTDRQHKY-CABZTGNLSA-N 2 0 303.269 2.988 20 0 DFADRP Cc1nccn1-c1ccc(C[NH2+][C@@H]2CC[NH2+]CC[C@H]2C)cc1F ZINC000422904872 296353896 /nfs/dbraw/zinc/35/38/96/296353896.db2.gz QYDHZMKXGKHXGP-CXAGYDPISA-N 2 0 316.424 2.798 20 0 DFADRP COCCOc1cccc(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)c1 ZINC000422904692 296353909 /nfs/dbraw/zinc/35/39/09/296353909.db2.gz XVTYMPLMPKRFPR-GUDVDZBRSA-N 2 0 318.461 2.722 20 0 DFADRP CC[C@H](C)[N@H+](C)CCN[C@@H](c1ccc(OC)cc1)[C@H]1CCC[NH2+]1 ZINC000422904030 296353914 /nfs/dbraw/zinc/35/39/14/296353914.db2.gz GKZYDLCNZREVFJ-IPELMVKDSA-N 2 0 319.493 2.808 20 0 DFADRP COc1ccc(Cl)cc1N1CC[C@@H]([NH2+][C@H]2CCC[NH2+]CC2)C1 ZINC000422907247 296354179 /nfs/dbraw/zinc/35/41/79/296354179.db2.gz LFCFABODVKURDI-LSDHHAIUSA-N 2 0 323.868 2.659 20 0 DFADRP C[C@H](C[C@H](C)[NH3+])NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000422907231 296354234 /nfs/dbraw/zinc/35/42/34/296354234.db2.gz LDWZEEDNRYDQNW-AKPRKHDMSA-N 2 0 301.478 2.897 20 0 DFADRP FC(F)n1c(CC[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)nc2ccccc21 ZINC000422910190 296354604 /nfs/dbraw/zinc/35/46/04/296354604.db2.gz HMPAWBCGBLTXCX-FUNVUKJBSA-N 2 0 320.387 2.847 20 0 DFADRP C[C@H]([NH2+]CCc1nc2ccccc2n1C(F)F)[C@H]1CC[NH2+]C1 ZINC000422910025 296354655 /nfs/dbraw/zinc/35/46/55/296354655.db2.gz HGJXHXQEKPAYOR-RYUDHWBXSA-N 2 0 308.376 2.562 20 0 DFADRP c1c2ccccc2oc1CC[NH2+][C@@H]1CCOC[C@H]1[C@H]1CCC[NH2+]1 ZINC000422919952 296355542 /nfs/dbraw/zinc/35/55/42/296355542.db2.gz LEBFMWRYAZLYSG-RCCFBDPRSA-N 2 0 314.429 2.722 20 0 DFADRP C[C@H](C[C@H]1COCC[NH2+]1)N[C@@H](C)c1c(F)cccc1Cl ZINC000422919530 296355569 /nfs/dbraw/zinc/35/55/69/296355569.db2.gz JWVCRFIVQLEDFY-WOPDTQHZSA-N 2 0 300.805 2.897 20 0 DFADRP c1c2ccccc2oc1CC[NH2+][C@@H]1CCOC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000422919949 296355702 /nfs/dbraw/zinc/35/57/02/296355702.db2.gz LEBFMWRYAZLYSG-FGTMMUONSA-N 2 0 314.429 2.722 20 0 DFADRP Clc1ccc(C[NH2+][C@@H]2CCOC[C@@H]2[C@H]2CCC[NH2+]2)s1 ZINC000422925249 296355970 /nfs/dbraw/zinc/35/59/70/296355970.db2.gz ASONIOOSWNQBEG-JHJVBQTASA-N 2 0 300.855 2.648 20 0 DFADRP COC[C@H](CCC[NH3+])[NH2+][C@@H](C)[C@H](OC)c1ccc(Cl)cc1 ZINC000422912428 296355067 /nfs/dbraw/zinc/35/50/67/296355067.db2.gz NDLLPBPZGDMJNG-RCBQFDQVSA-N 2 0 314.857 2.760 20 0 DFADRP [NH3+]C[C@H]1CCC[C@@H]1[NH2+]Cc1ccc(C(=O)N2CCCCC2)cc1 ZINC000422928055 296356619 /nfs/dbraw/zinc/35/66/19/296356619.db2.gz IQOYTTXPIIPGKU-MSOLQXFVSA-N 2 0 315.461 2.530 20 0 DFADRP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]CCOc1cccc(C(F)(F)F)c1 ZINC000422929936 296356754 /nfs/dbraw/zinc/35/67/54/296356754.db2.gz ALFGFFMZQKVFGF-FZMZJTMJSA-N 2 0 302.340 2.801 20 0 DFADRP CC[C@@H]([NH2+]CCc1cc(Cl)c2c(c1)OCCO2)[C@@H]1CCC[NH2+]1 ZINC000422930428 296356760 /nfs/dbraw/zinc/35/67/60/296356760.db2.gz UIFYQTYNKHPPGN-CABCVRRESA-N 2 0 324.852 2.774 20 0 DFADRP CC[NH+]1CCN(CCC[NH2+][C@H]2CCc3c2c(F)ccc3F)CC1 ZINC000269864295 207919214 /nfs/dbraw/zinc/91/92/14/207919214.db2.gz KFHNHCHXGOQEBG-KRWDZBQOSA-N 2 0 323.431 2.569 20 0 DFADRP C[C@H]([NH3+])C[C@H](C)[NH2+]Cc1ccccc1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000422933992 296357307 /nfs/dbraw/zinc/35/73/07/296357307.db2.gz BWQDHULILNQWOJ-LUKYLMHMSA-N 3 0 319.493 2.511 20 0 DFADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]Cc1cc(Cl)c2c(c1)OCCCO2 ZINC000422926480 296356198 /nfs/dbraw/zinc/35/61/98/296356198.db2.gz DEHSTBHUMNBWFT-IUODEOHRSA-N 2 0 324.852 2.979 20 0 DFADRP C[C@H](C[C@H](C)[NH3+])[NH2+]Cc1ccc(C(=O)N2CCCCC2)cc1 ZINC000422926767 296356314 /nfs/dbraw/zinc/35/63/14/296356314.db2.gz DYGKVENPNFCOEX-LSDHHAIUSA-N 2 0 303.450 2.528 20 0 DFADRP CC[C@H]([NH2+]CCCOc1cccc(OC)c1)[C@@H]1CCCC[NH2+]1 ZINC000422926882 296356358 /nfs/dbraw/zinc/35/63/58/296356358.db2.gz XTEDSRZYYSBKMD-ROUUACIJSA-N 2 0 306.450 2.974 20 0 DFADRP COc1cc([C@@H](C)[NH2+][C@H](C)C2C[NH2+]C2)ccc1OCC(C)C ZINC000422937316 296358028 /nfs/dbraw/zinc/35/80/28/296358028.db2.gz JLKCOMFJMHLVRP-ZIAGYGMSSA-N 2 0 306.450 2.989 20 0 DFADRP C[C@H]([NH3+])[C@H]1COCC[C@@H]1[NH2+]CCc1csc2ccccc12 ZINC000422943330 296358559 /nfs/dbraw/zinc/35/85/59/296358559.db2.gz YBTHRMAKCYSAQB-MAZHCROVSA-N 2 0 304.459 2.786 20 0 DFADRP COC[C@@H](CCC[NH3+])[NH2+]Cc1ccc(OC2CCCC2)cc1 ZINC000422935863 296357697 /nfs/dbraw/zinc/35/76/97/296357697.db2.gz AWPHXMDRCGTGLL-MRXNPFEDSA-N 2 0 306.450 2.852 20 0 DFADRP C[C@H]([NH2+][C@@H](C)[C@@H]1CCC[NH2+]C1)c1ccc2c(c1)OCCCO2 ZINC000422944378 296358905 /nfs/dbraw/zinc/35/89/05/296358905.db2.gz RWRWJCPPQHNYQK-OFQRWUPVSA-N 2 0 304.434 2.887 20 0 DFADRP CC[C@H](C)C(=O)Nc1cccc(C[NH2+][C@H](C)[C@H]2CC[NH2+]C2)c1 ZINC000422944546 296358933 /nfs/dbraw/zinc/35/89/33/296358933.db2.gz MLSFGRBLYCKPLF-LZWOXQAQSA-N 2 0 303.450 2.759 20 0 DFADRP c1cn(Cc2ccccc2C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)cn1 ZINC000269994036 208047789 /nfs/dbraw/zinc/04/77/89/208047789.db2.gz VRYKAIGVSHGYHX-RBUKOAKNSA-N 2 0 310.445 2.648 20 0 DFADRP C[C@H]([NH2+]CCCC(=O)Nc1ccc(Cl)cc1)[C@H]1CCC[NH2+]1 ZINC000422944037 296359026 /nfs/dbraw/zinc/35/90/26/296359026.db2.gz MARYCJKJFNSUKC-SWLSCSKDSA-N 2 0 309.841 2.789 20 0 DFADRP [NH3+]C[C@@H]1CCC[C@H]1[NH2+]CCOc1ccc(Br)cc1 ZINC000422944677 296359090 /nfs/dbraw/zinc/35/90/90/296359090.db2.gz LWIVZPTUBITRHC-SMDDNHRTSA-N 2 0 313.239 2.545 20 0 DFADRP C[C@@H]([NH2+]CCc1coc(-c2ccc(F)cc2)n1)[C@@H]1CC[NH2+]C1 ZINC000422945807 296359110 /nfs/dbraw/zinc/35/91/10/296359110.db2.gz NYBGNJBRNFOZBM-TZMCWYRMSA-N 2 0 303.381 2.611 20 0 DFADRP C[C@H]([NH2+]CCc1coc(-c2ccc(F)cc2)n1)[C@H]1CC[NH2+]C1 ZINC000422945805 296359146 /nfs/dbraw/zinc/35/91/46/296359146.db2.gz NYBGNJBRNFOZBM-JSGCOSHPSA-N 2 0 303.381 2.611 20 0 DFADRP C[C@H](Nc1cccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1)[C@@H]1CCC[NH2+]1 ZINC000422958900 296361123 /nfs/dbraw/zinc/36/11/23/296361123.db2.gz ZHDFPDQQIZARQS-RCJHGTSTSA-N 2 0 317.477 2.848 20 0 DFADRP [NH3+][C@@H]1CCCCC[C@H]1[NH2+]CCCC(=O)N1Cc2ccccc2C1 ZINC000422959921 296361049 /nfs/dbraw/zinc/36/10/49/296361049.db2.gz UQQLQOKHFOXZND-QZTJIDSGSA-N 2 0 315.461 2.559 20 0 DFADRP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+]CCCC(=O)N1Cc2ccccc2C1 ZINC000422959920 296361111 /nfs/dbraw/zinc/36/11/11/296361111.db2.gz UQQLQOKHFOXZND-MSOLQXFVSA-N 2 0 315.461 2.559 20 0 DFADRP C[C@@H](CCCC[NH3+])[NH2+]CCOc1ccc(Br)cc1 ZINC000422950351 296360007 /nfs/dbraw/zinc/36/00/07/296360007.db2.gz XREGWUIZGYNKSW-LBPRGKRZSA-N 2 0 315.255 2.935 20 0 DFADRP CC(C)c1ccc(OCC[NH2+][C@@H]2CCOC[C@@H]2[C@@H](C)[NH3+])cc1 ZINC000422950688 296360021 /nfs/dbraw/zinc/36/00/21/296360021.db2.gz WNBYDWFUQBQEHU-ZTFGCOKTSA-N 2 0 306.450 2.531 20 0 DFADRP [NH3+]C[C@@H]1CCC[C@H]1[NH2+]CCc1coc(-c2ccc(F)cc2)n1 ZINC000422951490 296360031 /nfs/dbraw/zinc/36/00/31/296360031.db2.gz YTEYEXMBOCHSFN-XJKSGUPXSA-N 2 0 303.381 2.740 20 0 DFADRP CC[C@@H](NCC1([NH+]2CCCCC2)CCOCC1)[C@@H]1CCCC[NH2+]1 ZINC000422951840 296360066 /nfs/dbraw/zinc/36/00/66/296360066.db2.gz AIZLTRXTEWSCMI-MSOLQXFVSA-N 2 0 323.525 2.532 20 0 DFADRP C[C@@H](CCCC[NH3+])[NH2+][C@@H]1CC(=O)N(c2ccccc2Cl)C1 ZINC000422954472 296360316 /nfs/dbraw/zinc/36/03/16/296360316.db2.gz HPBABKJPVSELJS-QWHCGFSZSA-N 2 0 309.841 2.552 20 0 DFADRP C[C@H](C[C@H](C)[NH3+])Nc1cccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000422952573 296360412 /nfs/dbraw/zinc/36/04/12/296360412.db2.gz BIDLROIKGNYDCO-XUWVNRHRSA-N 2 0 305.466 2.834 20 0 DFADRP C[C@H](CCCC[NH3+])[NH2+][C@@H]1CC(=O)N(c2ccccc2Cl)C1 ZINC000422954469 296360457 /nfs/dbraw/zinc/36/04/57/296360457.db2.gz HPBABKJPVSELJS-CHWSQXEVSA-N 2 0 309.841 2.552 20 0 DFADRP C[C@@H](C[C@H]1CCCCC[NH2+]1)[NH2+]CCCNC(=O)c1cccs1 ZINC000422954323 296360477 /nfs/dbraw/zinc/36/04/77/296360477.db2.gz IBSLRQXWGPSEPE-LSDHHAIUSA-N 2 0 323.506 2.768 20 0 DFADRP C[C@H]([NH3+])[C@H]1COCC[C@H]1[NH2+]CCOc1ccccc1C(C)(C)C ZINC000422960466 296361397 /nfs/dbraw/zinc/36/13/97/296361397.db2.gz WMQHOCPCIFPBLC-ZMSDIMECSA-N 2 0 320.477 2.705 20 0 DFADRP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]Cc1ccc(COC2CCOCC2)cc1 ZINC000422965507 296361887 /nfs/dbraw/zinc/36/18/87/296361887.db2.gz LERQNYDTHFPAFJ-HKUYNNGSSA-N 2 0 318.461 2.599 20 0 DFADRP CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1c1nc2ccccc2n2cncc12 ZINC000624024175 399527692 /nfs/dbraw/zinc/52/76/92/399527692.db2.gz ZXUDYDIOXKRHMQ-LSDHHAIUSA-N 2 0 321.428 2.946 20 0 DFADRP CC(C)Oc1ccc(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)cn1 ZINC000422969876 296363122 /nfs/dbraw/zinc/36/31/22/296363122.db2.gz DUJFYABUNABPPI-BRWVUGGUSA-N 2 0 303.450 2.879 20 0 DFADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]Cc1ccc(OC2CCCC2)nc1 ZINC000422971198 296363166 /nfs/dbraw/zinc/36/31/66/296363166.db2.gz IGNGKCJSHQYQQU-RHSMWYFYSA-N 2 0 303.450 2.881 20 0 DFADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]C[C@@H](c1ccco1)N1CCCCC1 ZINC000422966206 296362322 /nfs/dbraw/zinc/36/23/22/296362322.db2.gz QZGXQUKNFLUJQY-ZACQAIPSSA-N 2 0 305.466 2.784 20 0 DFADRP COCCNc1ccc(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)cc1 ZINC000422968873 296362462 /nfs/dbraw/zinc/36/24/62/296362462.db2.gz SJTFKWJWFFGYRQ-GUDVDZBRSA-N 2 0 317.477 2.755 20 0 DFADRP COc1cccc([C@H](C[NH2+][C@H](C)C2CC[NH+](C)CC2)OC)c1 ZINC000624031277 399530404 /nfs/dbraw/zinc/53/04/04/399530404.db2.gz BQXIKARIOVXACT-KDOFPFPSSA-N 2 0 306.450 2.703 20 0 DFADRP c1ccc(CO[C@@H]2CCC[C@@H]2[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000422987350 296364193 /nfs/dbraw/zinc/36/41/93/296364193.db2.gz GAMMUHHDMSIUKR-JKHFOPOESA-N 2 0 300.446 2.997 20 0 DFADRP C[C@H](C[C@H](C)[NH3+])[NH2+]C[C@@H](CO)Cc1ccc(C(F)(F)F)cc1 ZINC000422985747 296364207 /nfs/dbraw/zinc/36/42/07/296364207.db2.gz ADUAIWAYUWRQFR-SCRDCRAPSA-N 2 0 318.383 2.572 20 0 DFADRP [NH3+]C[C@H]1CCC[C@@H]1[NH2+]Cc1ccnc(OCc2ccccc2)c1 ZINC000422977699 296363682 /nfs/dbraw/zinc/36/36/82/296363682.db2.gz XILVMMLLSSIYCY-MSOLQXFVSA-N 2 0 311.429 2.878 20 0 DFADRP CCOC(=O)C1([C@H](C)[NH2+]C/C=C/c2ccccc2)CC[NH2+]CC1 ZINC000422979670 296363716 /nfs/dbraw/zinc/36/37/16/296363716.db2.gz NGXUYTSIVPDTNR-JCVNQNCUSA-N 2 0 316.445 2.611 20 0 DFADRP C[C@@H]([NH2+]CCc1nc(-c2cccc(Cl)c2)no1)[C@@H]1CC[NH2+]C1 ZINC000422983661 296363903 /nfs/dbraw/zinc/36/39/03/296363903.db2.gz ULRJCFHQGDEMHL-DGCLKSJQSA-N 2 0 320.824 2.520 20 0 DFADRP CC[C@H]([NH2+]CC1CCN(c2cc[nH+]cc2)CC1)[C@@H]1CCCC[NH2+]1 ZINC000422989032 296364555 /nfs/dbraw/zinc/36/45/55/296364555.db2.gz LKOVXCGCROOHDO-OALUTQOASA-N 3 0 316.493 2.808 20 0 DFADRP C[C@H]([NH3+])C[C@H](C)[NH2+]C[C@H](CO)Cc1ccccc1C(F)(F)F ZINC000422994772 296364913 /nfs/dbraw/zinc/36/49/13/296364913.db2.gz WDVPZWBODWCLCO-RWMBFGLXSA-N 2 0 318.383 2.572 20 0 DFADRP C[C@H](CCCC[NH3+])[NH2+]CCOc1ncccc1C(F)(F)F ZINC000423001444 296365822 /nfs/dbraw/zinc/36/58/22/296365822.db2.gz XDUWAMXAYPAKDF-LLVKDONJSA-N 2 0 305.344 2.586 20 0 DFADRP Cc1cc(C[C@H](C)[NH2+][C@H](C)C[C@H](C)[NH3+])n(-c2ccccc2)n1 ZINC000423000587 296365885 /nfs/dbraw/zinc/36/58/85/296365885.db2.gz VQBHKDNJJFPCAK-ZNMIVQPWSA-N 2 0 300.450 2.827 20 0 DFADRP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]CC1(CCO)CCCCC1 ZINC000423001536 296365952 /nfs/dbraw/zinc/36/59/52/296365952.db2.gz DVJAYUCWECDAKK-FUHWJXTLSA-N 2 0 304.478 2.867 20 0 DFADRP COc1cccc(COCC[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)c1 ZINC000423002820 296365994 /nfs/dbraw/zinc/36/59/94/296365994.db2.gz JXTNMBLYMKOZPK-IPMKNSEASA-N 2 0 318.461 2.722 20 0 DFADRP C[C@@H]([NH2+]C[C@]1(C)COc2ccccc2O1)C1CC[NH+](C)CC1 ZINC000624041172 399533144 /nfs/dbraw/zinc/53/31/44/399533144.db2.gz LDBLAIJXVDVKRV-RDTXWAMCSA-N 2 0 304.434 2.536 20 0 DFADRP Clc1ccc(Br)c(CC[NH2+]C2CC[NH2+]CC2)c1 ZINC000422996192 296365357 /nfs/dbraw/zinc/36/53/57/296365357.db2.gz LFSIVDCEKSAWNY-UHFFFAOYSA-N 2 0 317.658 2.987 20 0 DFADRP Cc1cc(C[C@H](C)[NH2+][C@H](C)[C@H]2CC[NH2+]C2)n(-c2ccccc2)n1 ZINC000422995579 296365361 /nfs/dbraw/zinc/36/53/61/296365361.db2.gz KKSCRQFUYFINFC-UAGQMJEPSA-N 2 0 312.461 2.699 20 0 DFADRP FC(F)(F)COCc1cccc(C[NH2+][C@@H]2CCC[NH2+]CC2)c1 ZINC000423000004 296365617 /nfs/dbraw/zinc/36/56/17/296365617.db2.gz GLUBRYFRNWQEFV-OAHLLOKOSA-N 2 0 316.367 2.997 20 0 DFADRP COc1ccc(OC)c(CCC[NH2+][C@H]2CC[NH2+]CC[C@H]2C)c1 ZINC000423009038 296367046 /nfs/dbraw/zinc/36/70/46/296367046.db2.gz BSHUKZSFPZHVQJ-PBHICJAKSA-N 2 0 306.450 2.614 20 0 DFADRP C[C@@H](C[C@H]1CCCCC[NH2+]1)[NH2+]CCc1cnc(C2CC2)nc1 ZINC000423009537 296367175 /nfs/dbraw/zinc/36/71/75/296367175.db2.gz DFANCWDSKYQACM-WMLDXEAASA-N 2 0 302.466 2.797 20 0 DFADRP COCCCOc1cccc(C[NH2+]C2CCC(C[NH3+])CC2)c1 ZINC000423006318 296366652 /nfs/dbraw/zinc/36/66/52/296366652.db2.gz VCYKFOVDGQPJCL-UHFFFAOYSA-N 2 0 306.450 2.709 20 0 DFADRP CC[C@H]([NH2+]CCCc1cc(OC)ccc1OC)[C@@H]1CCC[NH2+]1 ZINC000423014626 296367716 /nfs/dbraw/zinc/36/77/16/296367716.db2.gz PJDJXSKGGGZNHH-IRXDYDNUSA-N 2 0 306.450 2.757 20 0 DFADRP C[C@H](CCCC[NH3+])[NH2+]CCOc1cccc(C(F)(F)F)n1 ZINC000423013503 296367777 /nfs/dbraw/zinc/36/77/77/296367777.db2.gz MZZGCZNYXLQZNX-LLVKDONJSA-N 2 0 305.344 2.586 20 0 DFADRP [NH3+]C[C@H]1CCCC[C@H]1[NH2+]CCOc1cccc(C(F)(F)F)n1 ZINC000423014876 296367862 /nfs/dbraw/zinc/36/78/62/296367862.db2.gz PZEIKWGGXFHQRD-VXGBXAGGSA-N 2 0 317.355 2.586 20 0 DFADRP CC(C)C[C@@H]([NH2+]C1CCC(C[NH3+])CC1)C(=O)Nc1nccs1 ZINC000423017272 296368112 /nfs/dbraw/zinc/36/81/12/296368112.db2.gz OGIIJBUDYGEXQD-JXQTWKCFSA-N 2 0 324.494 2.603 20 0 DFADRP [NH3+][C@H]1CCCCC[C@H]1[NH2+]CCOc1cccc(C(F)(F)F)n1 ZINC000423011022 296367344 /nfs/dbraw/zinc/36/73/44/296367344.db2.gz HYZYTELAACUQQG-NWDGAFQWSA-N 2 0 317.355 2.729 20 0 DFADRP CC[C@@H]([NH2+]CC(=O)NC1CC[NH+](C2CC2)CC1)c1cccs1 ZINC000347611583 285092307 /nfs/dbraw/zinc/09/23/07/285092307.db2.gz MIFJDIJEXJWISW-OAHLLOKOSA-N 2 0 321.490 2.532 20 0 DFADRP [NH3+][C@@H]1CCCCC[C@H]1[NH2+]CCOc1cccc(C(F)(F)F)n1 ZINC000423011024 296367397 /nfs/dbraw/zinc/36/73/97/296367397.db2.gz HYZYTELAACUQQG-VXGBXAGGSA-N 2 0 317.355 2.729 20 0 DFADRP OC[C@H]([NH2+][C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)c1ccccc1 ZINC000423010610 296367523 /nfs/dbraw/zinc/36/75/23/296367523.db2.gz YATUESMTNUXLBW-BJLQDIEVSA-N 2 0 324.424 2.566 20 0 DFADRP COc1ccc(OC)c(CCC[NH2+]C2CCC(C[NH3+])CC2)c1 ZINC000423010994 296367537 /nfs/dbraw/zinc/36/75/37/296367537.db2.gz HVZWWUGHGRRFGI-UHFFFAOYSA-N 2 0 306.450 2.744 20 0 DFADRP c1ccc(C[N@@H+]2C[C@@H]3CCC[C@H](NC4CC[NH2+]CC4)[C@@H]3C2)cc1 ZINC000423026689 296369133 /nfs/dbraw/zinc/36/91/33/296369133.db2.gz BYCLZISVVRXXPP-SXLOBPIMSA-N 2 0 313.489 2.629 20 0 DFADRP CC1(C[NH2+][C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)CCOCC1 ZINC000423024363 296369179 /nfs/dbraw/zinc/36/91/79/296369179.db2.gz LPAPTFXXJMMMEB-VQIMIIECSA-N 2 0 316.445 2.649 20 0 DFADRP C[C@@H]([NH2+]CCCC[NH+](C)C)c1ncc(Br)s1 ZINC000270285865 208361008 /nfs/dbraw/zinc/36/10/08/208361008.db2.gz YXNYEXJEKUVLFP-SECBINFHSA-N 2 0 306.273 2.898 20 0 DFADRP c1ccc(C[N@@H+]2C[C@@H]3CCC[C@@H](NC4CC[NH2+]CC4)[C@@H]3C2)cc1 ZINC000423026687 296369361 /nfs/dbraw/zinc/36/93/61/296369361.db2.gz BYCLZISVVRXXPP-DFQSSKMNSA-N 2 0 313.489 2.629 20 0 DFADRP CC(C)[NH+]1CCN(c2cccc(N[C@H](C)[C@H]3CCC[NH2+]3)c2)CC1 ZINC000423029174 296369483 /nfs/dbraw/zinc/36/94/83/296369483.db2.gz RUSZUPAWYRBYJR-VQIMIIECSA-N 2 0 316.493 2.769 20 0 DFADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]CCSCC(F)(F)F ZINC000423018981 296368575 /nfs/dbraw/zinc/36/85/75/296368575.db2.gz SSIQCXPCUNBPCN-VIFPVBQESA-N 2 0 307.385 2.795 20 0 DFADRP CN1CC[C@H]([NH2+]C2CCC([NH3+])CC2)[C@H]1c1ccc(F)c(F)c1 ZINC000423022251 296368943 /nfs/dbraw/zinc/36/89/43/296368943.db2.gz HGZNVPKINNQZNS-CXMPNGEBSA-N 2 0 309.404 2.570 20 0 DFADRP CSC1CC[NH+](Cc2cn(-c3cc[nH+]cc3)nc2C)CC1 ZINC000602727337 399542979 /nfs/dbraw/zinc/54/29/79/399542979.db2.gz ZPFDPYPZUOIFCA-UHFFFAOYSA-N 2 0 302.447 2.903 20 0 DFADRP CC[C@H]([NH2+]C[C@@H](C)COc1ccccc1OC)[C@@H]1CCC[NH2+]1 ZINC000423028273 296369684 /nfs/dbraw/zinc/36/96/84/296369684.db2.gz SNFYOTYVHXHDOD-PMPSAXMXSA-N 2 0 306.450 2.830 20 0 DFADRP [NH3+]C1CCC([NH2+]CCCc2nc(-c3ccc(F)cc3)no2)CC1 ZINC000423029069 296369763 /nfs/dbraw/zinc/36/97/63/296369763.db2.gz HOVJDODGZXIBQT-UHFFFAOYSA-N 2 0 318.396 2.668 20 0 DFADRP COc1ccc([C@@H](C)[NH2+]C[C@@H](C)CN2CC[NH+](C)CC2)cc1C ZINC000273086454 210466352 /nfs/dbraw/zinc/46/63/52/210466352.db2.gz QKTSYILNURGWPE-NVXWUHKLSA-N 2 0 319.493 2.538 20 0 DFADRP COc1ccccc1C1(C[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)CCC1 ZINC000423031799 296370026 /nfs/dbraw/zinc/37/00/26/296370026.db2.gz DRTLTYBLQJZDTH-XYPWUTKMSA-N 2 0 300.446 2.990 20 0 DFADRP Cc1cccc2c1C[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@@H]3CCC[C@H]31)CO2 ZINC000624070618 399542565 /nfs/dbraw/zinc/54/25/65/399542565.db2.gz LFHWPAFYBBHEPZ-CWLKWCNXSA-N 2 0 300.446 2.761 20 0 DFADRP COC[C@H](CCC[NH3+])[NH2+][C@H]1CCc2[nH]c3ccc(C)cc3c2C1 ZINC000423039651 296370697 /nfs/dbraw/zinc/37/06/97/296370697.db2.gz FVMJYTUSEZLHJX-GJZGRUSLSA-N 2 0 315.461 2.677 20 0 DFADRP CCOC(=O)C1([C@@H](C)[NH2+][C@@H](CC)CC(F)(F)F)CC[NH2+]CC1 ZINC000423040948 296370844 /nfs/dbraw/zinc/37/08/44/296370844.db2.gz VQKMTCSDXSDPSN-NEPJUHHUSA-N 2 0 324.387 2.628 20 0 DFADRP CCC(CC)[C@@H]1C[C@H]([NH2+][C@@H]2CCOC[C@@H]2[C@@H]2CCC[NH2+]2)CCO1 ZINC000423040160 296371007 /nfs/dbraw/zinc/37/10/07/296371007.db2.gz GSJRWLLOGBCAQA-FQBWVUSXSA-N 2 0 324.509 2.717 20 0 DFADRP C[C@@H]([NH2+]CC1(CCOCc2ccccc2)CC1)[C@H]1CC[NH2+]C1 ZINC000423044741 296371259 /nfs/dbraw/zinc/37/12/59/296371259.db2.gz AVCVPJGOPLLZFT-AEFFLSMTSA-N 2 0 302.462 2.961 20 0 DFADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]CCc1nn(C)c2ccccc12 ZINC000423045570 296371563 /nfs/dbraw/zinc/37/15/63/296371563.db2.gz CFKGTABHNLINPQ-CYBMUJFWSA-N 2 0 323.444 2.629 20 0 DFADRP C[C@@H]([NH3+])C[C@@H](C)[NH2+]Cc1cc(Br)cc2c1OCC2 ZINC000423048054 296371678 /nfs/dbraw/zinc/37/16/78/296371678.db2.gz ICNJHKGTEYLENV-NXEZZACHSA-N 2 0 313.239 2.599 20 0 DFADRP Cn1nc(CC[NH2+][C@@H]2C[C@@H]([NH3+])c3ccccc32)c2ccccc21 ZINC000423048763 296371885 /nfs/dbraw/zinc/37/18/85/296371885.db2.gz IRXXZZTZAVGMFN-SJLPKXTDSA-N 2 0 306.413 2.850 20 0 DFADRP C[C@H]1CC[C@@H]([NH2+]CCCN2CCC[C@H]2C(N)=O)c2ccccc21 ZINC000624085279 399548469 /nfs/dbraw/zinc/54/84/69/399548469.db2.gz KITHRENPPCYQGS-QGTPRVQTSA-N 2 0 315.461 2.554 20 0 DFADRP C[C@@H]([NH2+]CCCN1CCC[C@H]1C(N)=O)[C@@H](C)C1CCCCC1 ZINC000624085245 399548532 /nfs/dbraw/zinc/54/85/32/399548532.db2.gz HARMRKBXQXQEHI-INMHGKMJSA-N 2 0 309.498 2.521 20 0 DFADRP Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)[NH2+][C@H](C)[C@@H]1CC[NH2+]C1 ZINC000423050787 296372051 /nfs/dbraw/zinc/37/20/51/296372051.db2.gz ZIZVIUHVFDCBKV-GBIKHYSHSA-N 2 0 318.387 2.711 20 0 DFADRP Cc1cccc(C[C@H](CO)[NH2+][C@@H](C)C[C@H]2CCCCC[NH2+]2)c1 ZINC000423057606 296373124 /nfs/dbraw/zinc/37/31/24/296373124.db2.gz HMNSTKHHPNTMOW-QXAKKESOSA-N 2 0 304.478 2.799 20 0 DFADRP CO[C@H](CC[NH2+][C@@H](Cc1ccccc1)[C@H](C)[NH3+])C(F)(F)F ZINC000423067098 296374512 /nfs/dbraw/zinc/37/45/12/296374512.db2.gz GIAFYROSOGJWNX-FPMFFAJLSA-N 2 0 304.356 2.502 20 0 DFADRP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]C[C@H]1Cc2ccccc2N(C)C1 ZINC000423064941 296374171 /nfs/dbraw/zinc/37/41/71/296374171.db2.gz ZYXSFUWYTPHNSV-HQRMLTQVSA-N 2 0 323.484 2.843 20 0 DFADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]CCN1CCc2c(Cl)cccc2C1 ZINC000423064766 296374184 /nfs/dbraw/zinc/37/41/84/296374184.db2.gz ZRVHTCSXYHDUIQ-RDTXWAMCSA-N 2 0 321.896 2.676 20 0 DFADRP C[C@H](O)[C@@](C)(C[NH2+]C1CCC(C[NH3+])CC1)Cc1ccccc1 ZINC000423072467 296374982 /nfs/dbraw/zinc/37/49/82/296374982.db2.gz JKDWKMVAIXKOQV-GWFLUQINSA-N 2 0 304.478 2.723 20 0 DFADRP O[C@@H]1CCC[C@@]1(C[NH2+][C@H]1CCC[NH2+]CC1)Cc1ccc(F)cc1 ZINC000423072437 296375003 /nfs/dbraw/zinc/37/50/03/296375003.db2.gz HJEDLIOXXZWVDP-OTWHNJEPSA-N 2 0 320.452 2.631 20 0 DFADRP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+]CCOCC(F)(F)C(F)F ZINC000423073600 296375172 /nfs/dbraw/zinc/37/51/72/296375172.db2.gz JFGQHOAHEGGOMZ-VXGBXAGGSA-N 2 0 314.367 2.804 20 0 DFADRP C[C@@H](C[C@H]1CCCCC[NH2+]1)[NH2+]CCOCC(F)(F)C(F)F ZINC000423073598 296375209 /nfs/dbraw/zinc/37/52/09/296375209.db2.gz JFGQHOAHEGGOMZ-NWDGAFQWSA-N 2 0 314.367 2.804 20 0 DFADRP [NH3+][C@@H]1CCCCC[C@@H]1NC[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000423081989 296376074 /nfs/dbraw/zinc/37/60/74/296376074.db2.gz CGCJEKFFITZURJ-QRVBRYPASA-N 3 0 301.478 2.758 20 0 DFADRP c1ccc([C@H]([NH2+]C2CCN([C@@H]3CCOC3)CC2)C2CCC2)nc1 ZINC000624105174 399554327 /nfs/dbraw/zinc/55/43/27/399554327.db2.gz FKWQJQHSJRNARO-IEBWSBKVSA-N 2 0 315.461 2.766 20 0 DFADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]C[C@H]1CCCN(c2ccccc2)C1 ZINC000423089355 296377241 /nfs/dbraw/zinc/37/72/41/296377241.db2.gz UXPSUVLCWKJFQI-LMMKCTJWSA-N 2 0 301.478 2.881 20 0 DFADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+][C@@H](CO)Cc1ccc(F)cc1 ZINC000423083069 296376507 /nfs/dbraw/zinc/37/65/07/296376507.db2.gz YEVOXPXXXUHBGI-FHLIZLRMSA-N 2 0 308.441 2.630 20 0 DFADRP CC1(c2ccccc2)CC([NH2+][C@@H]2CCOC[C@@H]2[C@@H]2CCC[NH2+]2)C1 ZINC000423094410 296377616 /nfs/dbraw/zinc/37/76/16/296377616.db2.gz BRLKRMDRWQERKT-FNNTYFIOSA-N 2 0 314.473 2.853 20 0 DFADRP CSc1ccc(CC[NH2+][C@@H]2CCOC[C@@H]2[C@H]2CCC[NH2+]2)cc1 ZINC000423092434 296377628 /nfs/dbraw/zinc/37/76/28/296377628.db2.gz BWNUHVSCFLMODF-KZNAEPCWSA-N 2 0 320.502 2.698 20 0 DFADRP CC1(c2ccccc2)CC([NH2+][C@@H]2CCOC[C@H]2[C@H]2CCC[NH2+]2)C1 ZINC000423094413 296377654 /nfs/dbraw/zinc/37/76/54/296377654.db2.gz BRLKRMDRWQERKT-YJGITHLRSA-N 2 0 314.473 2.853 20 0 DFADRP CCS(=O)(=O)c1ccc([C@H](C)[NH2+][C@@H](C)CCCC[NH3+])cc1 ZINC000423109636 296379389 /nfs/dbraw/zinc/37/93/89/296379389.db2.gz STQSJGPUNCPQNJ-KBPBESRZSA-N 2 0 312.479 2.648 20 0 DFADRP Cc1cc2cc(C[NH2+][C@@H]3CCOC[C@H]3[C@H]3CCC[NH2+]3)ccc2[nH]1 ZINC000423105829 296378830 /nfs/dbraw/zinc/37/88/30/296378830.db2.gz IXGIFBCQMSCIDO-QXAKKESOSA-N 2 0 313.445 2.723 20 0 DFADRP CCSCCC[NH2+][C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423110381 296379596 /nfs/dbraw/zinc/37/95/96/296379596.db2.gz HTFRNVHVURIDPD-RDJZCZTQSA-N 2 0 306.475 2.975 20 0 DFADRP C[C@@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]CCc1ccc2c[nH]nc2c1 ZINC000423111731 296379629 /nfs/dbraw/zinc/37/96/29/296379629.db2.gz WLTNMDYZPCRCRH-KDOFPFPSSA-N 2 0 308.429 2.654 20 0 DFADRP C[NH+](C)CC1(C(=O)NC[C@@H]2CC[N@@H+](C(C)(C)C)C2)CCCCC1 ZINC000616999856 399561957 /nfs/dbraw/zinc/56/19/57/399561957.db2.gz PCSJTWRIBOIHES-INIZCTEOSA-N 2 0 323.525 2.735 20 0 DFADRP CC(=O)N1CC[C@H]([NH2+]C[C@H]2CCCC[N@@H+](C)C2)c2ccccc21 ZINC000624124094 399562151 /nfs/dbraw/zinc/56/21/51/399562151.db2.gz XEFPGQBHCFXCRZ-AEFFLSMTSA-N 2 0 315.461 2.806 20 0 DFADRP C[C@H]([NH2+]C[C@H]1CCCC[N@H+](C)C1)c1ccc2[nH]c(=O)oc2c1 ZINC000624124153 399562729 /nfs/dbraw/zinc/56/27/29/399562729.db2.gz YPOHPLVPXZGGKJ-QWHCGFSZSA-N 2 0 303.406 2.916 20 0 DFADRP C[C@H](N[C@@H]1c2ccccc2CC12CCOCC2)[C@H]1CCC[NH2+]1 ZINC000423121151 296380825 /nfs/dbraw/zinc/38/08/25/296380825.db2.gz IAROMUMMZOARHZ-BMGDILEWSA-N 2 0 300.446 2.811 20 0 DFADRP CC(C)Oc1ccc([C@H](CN[C@H](C)[C@@H]2CCC[NH2+]2)[NH+](C)C)cc1 ZINC000423124917 296381540 /nfs/dbraw/zinc/38/15/40/296381540.db2.gz MYWDVLKQUQLJKJ-MNEFBYGVSA-N 2 0 319.493 2.807 20 0 DFADRP C[C@H]([NH2+][C@@H]1c2ccccc2CC12CCOCC2)[C@H]1CC[NH2+]C1 ZINC000423124789 296381581 /nfs/dbraw/zinc/38/15/81/296381581.db2.gz PCYHPKJOTNBJJK-QILLFSRXSA-N 2 0 300.446 2.668 20 0 DFADRP C[C@H]([NH3+])[C@H]1COCC[C@H]1[NH2+]C[C@H]1CCCC[C@H]1C(F)(F)F ZINC000423123703 296381114 /nfs/dbraw/zinc/38/11/14/296381114.db2.gz LQROWGMJTVSDAJ-RYMFRWLXSA-N 2 0 308.388 2.697 20 0 DFADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]C[C@H](CO)C1CCCCC1 ZINC000423131009 296382347 /nfs/dbraw/zinc/38/23/47/296382347.db2.gz HNDLQMABZSBUGB-XJKSGUPXSA-N 2 0 305.466 2.688 20 0 DFADRP COCC(C)(C)C[NH2+][C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423128118 296382005 /nfs/dbraw/zinc/38/20/05/296382005.db2.gz KEHXSSGENOOFMW-YJBOKZPZSA-N 2 0 304.434 2.505 20 0 DFADRP Cc1cccc2c1OC[C@H]([NH2+][C@@H](C)c1ccc(C[NH3+])nc1C)C2 ZINC000423133767 296382586 /nfs/dbraw/zinc/38/25/86/296382586.db2.gz CWBZVNYWKRNTLB-WMLDXEAASA-N 2 0 311.429 2.811 20 0 DFADRP C[C@@H]([NH2+]CCc1cnc(SC2CCCC2)nc1)[C@@H]1CC[NH2+]C1 ZINC000423134530 296382619 /nfs/dbraw/zinc/38/26/19/296382619.db2.gz MKMHCVRSCKXCGY-UKRRQHHQSA-N 2 0 320.506 2.641 20 0 DFADRP Fc1ccccc1N1CC[C@H]([NH2+][C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)C1 ZINC000423136974 296382986 /nfs/dbraw/zinc/38/29/86/296382986.db2.gz VPRNCSMFIOVXND-BURFUSLBSA-N 2 0 317.452 2.915 20 0 DFADRP C[C@H]1CC[NH2+]CC[C@@H]1[NH2+]CCc1cccc(C(F)(F)F)n1 ZINC000423134390 296382490 /nfs/dbraw/zinc/38/24/90/296382490.db2.gz RSKOHLQJNIFSPQ-AAEUAGOBSA-N 2 0 301.356 2.621 20 0 DFADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]CCc1cc(C(F)(F)F)ccn1 ZINC000423140528 296383848 /nfs/dbraw/zinc/38/38/48/296383848.db2.gz YVSJEXDRRSEFJC-RISCZKNCSA-N 2 0 301.356 2.621 20 0 DFADRP CSc1ccc([C@H](C[NH2+][C@@H]2CCC[NH2+]CC2)N(C)C)cc1 ZINC000423143154 296384163 /nfs/dbraw/zinc/38/41/63/296384163.db2.gz CLZRXAPKQXKWGO-WBVHZDCISA-N 2 0 307.507 2.743 20 0 DFADRP C[C@H]([NH2+][C@@H]1CCC[NH2+]CC1)c1ccc(-n2cccn2)c(F)c1 ZINC000423138126 296383537 /nfs/dbraw/zinc/38/35/37/296383537.db2.gz SEXCLECARWKOEK-DZGCQCFKSA-N 2 0 302.397 2.804 20 0 DFADRP Cc1ccccc1[C@H](C)[NH2+]Cc1cccnc1N1CC[NH+](C)CC1 ZINC000158503318 197279078 /nfs/dbraw/zinc/27/90/78/197279078.db2.gz NTDBAMREUOUOFH-KRWDZBQOSA-N 2 0 324.472 2.993 20 0 DFADRP CC[C@H]([NH2+]C[C@H]1CCN(c2ccccc2F)C1)[C@@H]1CCC[NH2+]1 ZINC000423141066 296383647 /nfs/dbraw/zinc/38/36/47/296383647.db2.gz NTISMDVIEUJSFX-PVAVHDDUSA-N 2 0 305.441 2.772 20 0 DFADRP Cc1cccc2c1OC[C@H]([NH2+][C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1)C2 ZINC000423141393 296383698 /nfs/dbraw/zinc/38/36/98/296383698.db2.gz PQPZPZFLKUVYCQ-XMTFNYHQSA-N 2 0 300.446 2.809 20 0 DFADRP C[C@H]([NH3+])[C@H]1COCC[C@@H]1[NH2+][C@@H]1CCCc2c(F)cc(F)cc21 ZINC000423146680 296384594 /nfs/dbraw/zinc/38/45/94/296384594.db2.gz PYBPKVBHTHJHRV-OXVOBEKISA-N 2 0 310.388 2.684 20 0 DFADRP Clc1cc(Br)ccc1CC[NH2+]C1CC[NH2+]CC1 ZINC000423146715 296384721 /nfs/dbraw/zinc/38/47/21/296384721.db2.gz QCHYYXZGAURLOW-UHFFFAOYSA-N 2 0 317.658 2.987 20 0 DFADRP CSc1ccc([C@@H](CN[C@@H](C)[C@H]2CCC[NH2+]2)[NH+](C)C)cc1 ZINC000423146750 296384781 /nfs/dbraw/zinc/38/47/81/296384781.db2.gz QHJQEUMJFNTATF-IAOVAPTHSA-N 2 0 307.507 2.741 20 0 DFADRP CC(C)=CC[NH+]1CCC(C(=O)NCCC[NH+]2CCCCC2)CC1 ZINC000120278160 195134288 /nfs/dbraw/zinc/13/42/88/195134288.db2.gz OZTCOQNAIDKSRH-UHFFFAOYSA-N 2 0 321.509 2.657 20 0 DFADRP Cc1ccc(C2(C[NH2+][C@@H]3CCOC[C@H]3[C@@H](C)[NH3+])CC2)c(C)c1 ZINC000423147661 296384999 /nfs/dbraw/zinc/38/49/99/296384999.db2.gz SNYLSGYUPDVWRF-SOLBZPMBSA-N 2 0 302.462 2.677 20 0 DFADRP O[C@H]1CCCC[C@H]1C[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000158247940 197257313 /nfs/dbraw/zinc/25/73/13/197257313.db2.gz SLSRJEUTISFXBN-ICSRJNTNSA-N 2 0 316.489 2.834 20 0 DFADRP C[C@@H](CCC[NH3+])[NH2+][C@H](CCO)c1cccc(C(F)(F)F)c1 ZINC000423150640 296385391 /nfs/dbraw/zinc/38/53/91/296385391.db2.gz BODOJGUIUHODPV-SMDDNHRTSA-N 2 0 304.356 2.846 20 0 DFADRP C[C@H](CCC[NH3+])[NH2+][C@@H](CCO)c1cccc(C(F)(F)F)c1 ZINC000423150639 296385427 /nfs/dbraw/zinc/38/54/27/296385427.db2.gz BODOJGUIUHODPV-RISCZKNCSA-N 2 0 304.356 2.846 20 0 DFADRP CSCC1CCC([NH2+][C@@H]2CCOC[C@H]2[C@@H]2CCC[NH2+]2)CC1 ZINC000423156210 296386121 /nfs/dbraw/zinc/38/61/21/296386121.db2.gz KNGAHEYSHRQDQT-LMNGEROHSA-N 2 0 312.523 2.655 20 0 DFADRP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1[NH2+]C[C@@H]1CCC[C@@H]1c1ccccc1 ZINC000423156838 296386239 /nfs/dbraw/zinc/38/62/39/296386239.db2.gz LSTXGLIAZWLYTP-UJCHZGTJSA-N 2 0 302.462 2.912 20 0 DFADRP [NH3+]C[C@H]1CCCC[C@@H]1[NH2+]Cc1c(F)cccc1-n1cccn1 ZINC000423153839 296385705 /nfs/dbraw/zinc/38/57/05/296385705.db2.gz IEUPHYBHBMXHEE-CJNGLKHVSA-N 2 0 302.397 2.619 20 0 DFADRP COc1ncc(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)cc1Cl ZINC000423153166 296385763 /nfs/dbraw/zinc/38/57/63/296385763.db2.gz GGTDPFVHOYXCEG-BPLDGKMQSA-N 2 0 309.841 2.754 20 0 DFADRP Cc1cc(C[NH2+][C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)ccn1 ZINC000423153429 296385790 /nfs/dbraw/zinc/38/57/90/296385790.db2.gz GMNZONVETIOCCM-PKOBYXMFSA-N 2 0 309.413 2.736 20 0 DFADRP [NH3+]C[C@H]1CCCC[C@H]1[NH2+]Cc1c(F)cccc1-n1cccn1 ZINC000423153840 296385880 /nfs/dbraw/zinc/38/58/80/296385880.db2.gz IEUPHYBHBMXHEE-CZUORRHYSA-N 2 0 302.397 2.619 20 0 DFADRP CC(C)(O)C(C)(C)C[NH2+][C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423162466 296386784 /nfs/dbraw/zinc/38/67/84/296386784.db2.gz PIWPIVNCEWIGOT-BEFAXECRSA-N 2 0 318.461 2.629 20 0 DFADRP c1ccc2c(c1)O[C@]1(CC[NH2+]C1)C[C@H]2[NH2+]CCC[C@@H]1CCOC1 ZINC000423161374 296386945 /nfs/dbraw/zinc/38/69/45/296386945.db2.gz NPUYDCRNJKRLJO-SZVBFZGTSA-N 2 0 316.445 2.649 20 0 DFADRP CCO[C@@H]1CCC[C@H]1[NH2+][C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423160790 296386505 /nfs/dbraw/zinc/38/65/05/296386505.db2.gz HWDOYYQUDRIXJD-PSBWJHGTSA-N 2 0 316.445 2.790 20 0 DFADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]CCc1cccc(Br)c1 ZINC000423161341 296386540 /nfs/dbraw/zinc/38/65/40/296386540.db2.gz JAVWVBMHLOBXOK-IUODEOHRSA-N 2 0 311.267 2.969 20 0 DFADRP C[C@@H]([NH2+]CCOc1ccc(Cl)c(Cl)c1)[C@@H]1CC[NH2+]C1 ZINC000423159682 296386569 /nfs/dbraw/zinc/38/65/69/296386569.db2.gz PSDDCLIYMKIDJR-GHMZBOCLSA-N 2 0 303.233 2.960 20 0 DFADRP COC[C@@H](CCC[NH3+])[NH2+][C@@H]1C[C@H]1c1c(F)cccc1Cl ZINC000423168671 296387648 /nfs/dbraw/zinc/38/76/48/296387648.db2.gz HQVZWIYIVGHBMA-JTNHKYCSSA-N 2 0 300.805 2.679 20 0 DFADRP CC1(C)CCC[N@@H+]1CCN[C@@H]1CC[NH2+][C@@H](c2ccccc2)C1 ZINC000423169241 296387724 /nfs/dbraw/zinc/38/77/24/296387724.db2.gz VVIUBXAQFPMPKR-QZTJIDSGSA-N 2 0 301.478 2.944 20 0 DFADRP COc1ccc(C[C@@H]([NH2+]CCC[NH3+])c2ccc(OC)cc2)cc1 ZINC000423178977 296389036 /nfs/dbraw/zinc/38/90/36/296389036.db2.gz CLGSUWGUALCHRX-LJQANCHMSA-N 2 0 314.429 2.926 20 0 DFADRP Cc1cc2cc([C@@H](C)[NH2+]CCCN3CC[NH2+]CC3)oc2cc1C ZINC000423178121 296388405 /nfs/dbraw/zinc/38/84/05/296388405.db2.gz KEODRPDKKPYNNE-MRXNPFEDSA-N 2 0 315.461 2.996 20 0 DFADRP Cc1ccccc1[C@@H]([NH2+]CCCN1CC[NH2+]CC1)c1ccccc1 ZINC000423178454 296388517 /nfs/dbraw/zinc/38/85/17/296388517.db2.gz GDFFHZLMIHVCGG-NRFANRHFSA-N 2 0 323.484 2.969 20 0 DFADRP C[C@H]([NH2+]CCCN1CC[NH2+]CC1)c1cc(Cl)cc(Cl)c1 ZINC000423177801 296388587 /nfs/dbraw/zinc/38/85/87/296388587.db2.gz JNOUVDXXCUBGSP-LBPRGKRZSA-N 2 0 316.276 2.939 20 0 DFADRP Clc1ccc([C@H]2CC[C@H]([NH2+]CCCN3CC[NH2+]CC3)C2)cc1 ZINC000423195224 296390675 /nfs/dbraw/zinc/39/06/75/296390675.db2.gz YYAYSGLSTGMHAC-WMZOPIPTSA-N 2 0 321.896 2.861 20 0 DFADRP c1ccc([C@@H]([NH2+]CCCN2CC[NH2+]CC2)C2CCCC2)cc1 ZINC000423194276 296390902 /nfs/dbraw/zinc/39/09/02/296390902.db2.gz XLTCPZCWXZLGMO-LJQANCHMSA-N 2 0 301.478 2.803 20 0 DFADRP COC[C@H](CCC[NH3+])[NH2+][C@@H](C)Cc1cn(C)c2ccc(F)cc12 ZINC000423189387 296390127 /nfs/dbraw/zinc/39/01/27/296390127.db2.gz QVURPHKXWBCUFH-BBRMVZONSA-N 2 0 321.440 2.592 20 0 DFADRP CC[C@@H]([NH2+]CCN1CC[NH2+]CC1)c1ccc(Cl)cc1Cl ZINC000423199527 296391650 /nfs/dbraw/zinc/39/16/50/296391650.db2.gz BUAYDZFSHKUMQP-OAHLLOKOSA-N 2 0 316.276 2.939 20 0 DFADRP C[C@@H]([NH2+]CCC[NH3+])c1ccc(OC[C@@H]2CCCCO2)c(F)c1 ZINC000423197480 296391617 /nfs/dbraw/zinc/39/16/17/296391617.db2.gz ZOPFZHDOBGHQQP-HIFRSBDPSA-N 2 0 310.413 2.773 20 0 DFADRP C[C@H]([NH2+]C1CCC([NH3+])CC1)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000423208196 296392465 /nfs/dbraw/zinc/39/24/65/296392465.db2.gz DHHTYZYWPLXNBE-XGNXJENSSA-N 2 0 301.434 2.837 20 0 DFADRP COc1ccc(C[C@@H](C)[NH2+]C[C@H]2CCC[NH2+]C2)c(C)c1OC ZINC000423206591 296392546 /nfs/dbraw/zinc/39/25/46/296392546.db2.gz GGCTVPZWZQQLFC-HIFRSBDPSA-N 2 0 306.450 2.532 20 0 DFADRP COc1ccc([C@@H](CCC(C)C)[NH2+]CCN2CC[NH2+]CC2)cc1 ZINC000423209807 296392741 /nfs/dbraw/zinc/39/27/41/296392741.db2.gz VTZXSQVDEIQUAK-LJQANCHMSA-N 2 0 319.493 2.667 20 0 DFADRP C[C@@H]1[C@@H](NC2C[C@H]3CC[C@@H](C2)[NH2+]3)CCC[N@@H+]1Cc1ccccc1 ZINC000423209508 296392807 /nfs/dbraw/zinc/39/28/07/296392807.db2.gz GHYGYJQJNQIVPN-QRTFOUQQSA-N 2 0 313.489 2.912 20 0 DFADRP Brc1ccc2c(c1)CC[C@@H]([NH2+]C[C@H]1CCC[NH2+]C1)C2 ZINC000423217121 296393467 /nfs/dbraw/zinc/39/34/67/296393467.db2.gz SXYADIUNRLGPPD-BLLLJJGKSA-N 2 0 323.278 2.896 20 0 DFADRP CC[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccc(C(=O)OC)cc1 ZINC000423216143 296393473 /nfs/dbraw/zinc/39/34/73/296393473.db2.gz PPAZZXUHJAWGPQ-FCLJQHQZSA-N 2 0 302.418 2.797 20 0 DFADRP CCO[C@@H]1C[C@H]([NH2+][C@H](C)[C@@H]2CCC[NH2+]C2)[C@@H]1Oc1ccccc1 ZINC000423218930 296393791 /nfs/dbraw/zinc/39/37/91/296393791.db2.gz SNENLOJIWGYHFZ-FDMITFGQSA-N 2 0 318.461 2.589 20 0 DFADRP COc1cc(C)c(C[C@@H](C)[NH2+]C2CCC([NH3+])CC2)cc1OC ZINC000423228891 296394750 /nfs/dbraw/zinc/39/47/50/296394750.db2.gz FSXLNYWPXCGYBS-IUDNXUCKSA-N 2 0 306.450 2.803 20 0 DFADRP O=C(CC[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1)Nc1ccccc1 ZINC000157230908 197171626 /nfs/dbraw/zinc/17/16/26/197171626.db2.gz CPORZCTUCIMYNX-SFHVURJKSA-N 2 0 315.461 2.966 20 0 DFADRP C[C@H]([NH3+])CC[NH2+][C@H]1CCCOc2ccc(Br)cc21 ZINC000423225189 296394274 /nfs/dbraw/zinc/39/42/74/296394274.db2.gz LQYWTUWYIFPABU-GWCFXTLKSA-N 2 0 313.239 2.990 20 0 DFADRP Cn1ccc([C@@H]([NH2+]CC[C@H]2CC[NH2+]C2)c2ccc(Cl)cc2)n1 ZINC000423254040 296397219 /nfs/dbraw/zinc/39/72/19/296397219.db2.gz WVWLLBVAYAUDTC-DYVFJYSZSA-N 2 0 318.852 2.752 20 0 DFADRP C[C@@H]([NH3+])CC[NH2+][C@@H](C)c1ccc(I)cc1 ZINC000423242116 296396268 /nfs/dbraw/zinc/39/62/68/296396268.db2.gz YNGQULXAINSEAI-ZJUUUORDSA-N 2 0 318.202 2.679 20 0 DFADRP COc1cc(C)c(C[C@@H](C)[NH2+]CC[C@H]2CC[NH2+]C2)cc1OC ZINC000423242056 296396343 /nfs/dbraw/zinc/39/63/43/296396343.db2.gz DXDXBSXMOQABOY-HUUCEWRRSA-N 2 0 306.450 2.532 20 0 DFADRP CC(C)c1ccc([C@H]([NH3+])CN[C@@H](C)c2ccc(=O)[nH]n2)cc1 ZINC000423243777 296396417 /nfs/dbraw/zinc/39/64/17/296396417.db2.gz NFHCESQLXRUCFZ-SWLSCSKDSA-N 2 0 300.406 2.656 20 0 DFADRP C[C@H]([NH2+]CC[C@@H]1CC[NH2+]C1)c1ncc(Br)cc1F ZINC000423245002 296396636 /nfs/dbraw/zinc/39/66/36/296396636.db2.gz IIQREGVBDLKOQM-UWVGGRQHSA-N 2 0 316.218 2.633 20 0 DFADRP COc1ccc([C@H](C)[C@H](C)[NH2+]CC[C@H]2CC[NH2+]C2)cc1OC ZINC000423248130 296396769 /nfs/dbraw/zinc/39/67/69/296396769.db2.gz MRBWNNDPPDKFMZ-QLFBSQMISA-N 2 0 306.450 2.785 20 0 DFADRP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+]CC[C@H]2CC[NH2+]C2)CC1 ZINC000423250887 296396788 /nfs/dbraw/zinc/39/67/88/296396788.db2.gz REFSAPKCSOKRCY-IEBWSBKVSA-N 3 0 315.505 2.671 20 0 DFADRP CCO[C@@H]1C[C@H]([NH2+]CC[C@H]2CCC[NH2+]C2)[C@H]1Oc1ccccc1 ZINC000423264382 296398122 /nfs/dbraw/zinc/39/81/22/296398122.db2.gz YLCKBKMDWLCRSG-QXCFHYIPSA-N 2 0 318.461 2.591 20 0 DFADRP C[C@@H]([NH2+]CC[C@H]1CCC[NH2+]C1)c1cccc(N2CCOCC2)c1 ZINC000423256728 296397483 /nfs/dbraw/zinc/39/74/83/296397483.db2.gz FVSZEBPIPDWIHQ-IAGOWNOFSA-N 2 0 317.477 2.564 20 0 DFADRP CC(C)C[C@H](C[NH3+])N[C@H](C)c1cccc(OCC[NH+](C)C)c1 ZINC000423258148 296397569 /nfs/dbraw/zinc/39/75/69/296397569.db2.gz BDNKARQKZKCFKC-NVXWUHKLSA-N 2 0 307.482 2.651 20 0 DFADRP COc1ccc([C@H](C)[NH2+]CC[C@H]2CCC[NH2+]C2)cc1NC(C)=O ZINC000423260315 296397668 /nfs/dbraw/zinc/39/76/68/296397668.db2.gz PYRFGWLSTXWYDF-DZGCQCFKSA-N 2 0 319.449 2.694 20 0 DFADRP COCCOc1ccc([C@@H](C)[NH2+]CC[C@H]2CCC[NH2+]C2)cc1 ZINC000423260466 296397971 /nfs/dbraw/zinc/39/79/71/296397971.db2.gz QDADLFCKZCDDIN-HZPDHXFCSA-N 2 0 306.450 2.752 20 0 DFADRP CCO[C@@H]1C[C@H](N[C@@H](C[NH3+])CC(C)C)[C@@H]1Oc1ccccc1 ZINC000423262171 296398016 /nfs/dbraw/zinc/39/80/16/296398016.db2.gz LWFUJDMMSXACHJ-SPUZQDLCSA-N 2 0 306.450 2.574 20 0 DFADRP C[C@H]([NH2+][C@H]1CCC[C@@H]1C[NH3+])c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000423269079 296399024 /nfs/dbraw/zinc/39/90/24/296399024.db2.gz GZYHSZCBHPFQAR-LNSITVRQSA-N 2 0 301.434 2.694 20 0 DFADRP C[NH2+]C[C@H](C)C[NH2+][C@H]1CCc2cc(Br)ccc2C1 ZINC000423270707 296399336 /nfs/dbraw/zinc/39/93/36/296399336.db2.gz IDHYYVFDQPDMEE-NHYWBVRUSA-N 2 0 311.267 2.752 20 0 DFADRP C[NH2+]CCOCC[NH2+][C@@H]1CCC[C@H]1c1ccc(OC(C)C)cc1 ZINC000629404156 399595350 /nfs/dbraw/zinc/59/53/50/399595350.db2.gz LAMIQLQUPPABDE-RBUKOAKNSA-N 2 0 320.477 2.936 20 0 DFADRP CCO[C@@H]1C[C@H]([NH2+][C@@H]2CCCC[C@H]2C[NH3+])[C@H]1Oc1ccccc1 ZINC000423267630 296398572 /nfs/dbraw/zinc/39/85/72/296398572.db2.gz CZCHYASZAWKCLU-IKLKHMQRSA-N 2 0 318.461 2.719 20 0 DFADRP CCO[C@@H]1C[C@H]([NH2+][C@@H]2CCCC[C@H]2C[NH3+])[C@@H]1Oc1ccccc1 ZINC000423267632 296398695 /nfs/dbraw/zinc/39/86/95/296398695.db2.gz CZCHYASZAWKCLU-YYTXDEJISA-N 2 0 318.461 2.719 20 0 DFADRP C[C@H]([NH2+]Cc1ccc(CN2CC[NH+](C)CC2)cc1)c1ccncc1 ZINC000156476745 197116563 /nfs/dbraw/zinc/11/65/63/197116563.db2.gz GCSLOZFVODRCHJ-KRWDZBQOSA-N 2 0 324.472 2.680 20 0 DFADRP CCOC(=O)CCCCC[N@@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC000602844706 399599312 /nfs/dbraw/zinc/59/93/12/399599312.db2.gz DKBCWNPGPITEQE-UHFFFAOYSA-N 2 0 319.449 2.717 20 0 DFADRP CCC(C)(C)C1CCC([NH2+]Cc2cn([C@H]3CC[NH2+]C3)nn2)CC1 ZINC000629420049 399599058 /nfs/dbraw/zinc/59/90/58/399599058.db2.gz RNCVUQFVBPMGEF-DQPZFDDXSA-N 2 0 319.497 2.897 20 0 DFADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCC[NH2+]Cc2cnc3ccnn3c2)C1 ZINC000624213760 399600488 /nfs/dbraw/zinc/60/04/88/399600488.db2.gz CIYVNBPUZHELSU-IYBDPMFKSA-N 2 0 315.465 2.577 20 0 DFADRP C[C@H]([NH2+]C[C@]1(C)CCC[NH2+]C1)c1cccc(OCC[NH+](C)C)c1 ZINC000423323024 296404524 /nfs/dbraw/zinc/40/45/24/296404524.db2.gz HXMPDYWSISQFGB-QFBILLFUSA-N 3 0 319.493 2.667 20 0 DFADRP C[C@H](CNC(=O)C(C)(C)[C@@H]([NH3+])c1ccccc1)C[NH+]1CCCC1 ZINC000423336320 296406111 /nfs/dbraw/zinc/40/61/11/296406111.db2.gz GRDFMTBCRRHBTF-WBVHZDCISA-N 2 0 317.477 2.561 20 0 DFADRP O[C@H]1C[C@@H](C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC000624218207 399601704 /nfs/dbraw/zinc/60/17/04/399601704.db2.gz VWXMAWHMZXCOFX-HXLQAJSYSA-N 2 0 300.446 2.543 20 0 DFADRP C[NH+](C)Cc1cccc(CNC(=O)[C@@H]([NH3+])CC2CCCCC2)c1 ZINC000423336737 296405949 /nfs/dbraw/zinc/40/59/49/296405949.db2.gz YCALJYPNNUBSKD-SFHVURJKSA-N 2 0 317.477 2.662 20 0 DFADRP CC(C)[C@@H](C(=O)Nc1ccc(CC[NH+]2CCCC2)cc1)[C@@H](C)[NH3+] ZINC000423352373 296407711 /nfs/dbraw/zinc/40/77/11/296407711.db2.gz KIWRKIAEMYCHFX-CRAIPNDOSA-N 2 0 317.477 2.883 20 0 DFADRP COc1cc(NC(C)=O)ccc1[C@H](C)[NH2+]CC1(C)CC[NH2+]CC1 ZINC000423346343 296407101 /nfs/dbraw/zinc/40/71/01/296407101.db2.gz ZXRQFVWQJOMINO-ZDUSSCGKSA-N 2 0 319.449 2.694 20 0 DFADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CCOc2ccccc2)[C@H](C)C1 ZINC000155246464 197036458 /nfs/dbraw/zinc/03/64/58/197036458.db2.gz PBYKRZYBZIABEH-IEBWSBKVSA-N 2 0 320.477 2.792 20 0 DFADRP COc1ccc([C@@H](C)[C@@H](C)[NH2+]CC[C@H]2CCC[NH2+]2)cc1OC ZINC000423355644 296407892 /nfs/dbraw/zinc/40/78/92/296407892.db2.gz FQDQYGWYWNJNPZ-SQWLQELKSA-N 2 0 306.450 2.928 20 0 DFADRP CCc1ccc([C@@H](CC)[NH2+][C@@H](C)CN2CC[NH+](C)CC2)cc1 ZINC000154991296 197011208 /nfs/dbraw/zinc/01/12/08/197011208.db2.gz COCKAFXYNDOKAD-QFBILLFUSA-N 2 0 303.494 2.926 20 0 DFADRP Cc1ccc([C@H](CCn2cncn2)[NH2+][C@H]2CCC[C@@H]([NH3+])C2)cc1 ZINC000423382969 296410850 /nfs/dbraw/zinc/41/08/50/296410850.db2.gz KCPWNTDBYWJFFE-SQNIBIBYSA-N 2 0 313.449 2.577 20 0 DFADRP C[C@@H](CN1CC[NH+](C)CC1)[NH2+][C@@H]1c2cccc(F)c2CC[C@H]1C ZINC000154906680 197004286 /nfs/dbraw/zinc/00/42/86/197004286.db2.gz UWTVWBYPGFIKMO-VCBZYWHSSA-N 2 0 319.468 2.675 20 0 DFADRP CCC[C@H]([NH2+]C[C@H](N1CC[NH2+]CC1)C(F)(F)F)C1CCCC1 ZINC000423396624 296412099 /nfs/dbraw/zinc/41/20/99/296412099.db2.gz RVVYLHVLKXSXHP-GJZGRUSLSA-N 2 0 321.431 2.771 20 0 DFADRP COc1cc([C@H](C)[NH2+][C@H]2CCC[C@@H]([NH3+])C2)cc(OC)c1OC ZINC000423388337 296411771 /nfs/dbraw/zinc/41/17/71/296411771.db2.gz NJUSUNLJNCQDRS-YUTCNCBUSA-N 2 0 308.422 2.633 20 0 DFADRP C[C@H]([NH2+]C[C@@H](N1CC[NH2+]CC1)C(F)(F)F)C1CCCCCC1 ZINC000423388479 296411848 /nfs/dbraw/zinc/41/18/48/296411848.db2.gz MUBNBYKENRTBCM-DZGCQCFKSA-N 2 0 321.431 2.771 20 0 DFADRP C[C@H]([NH2+]C[C@@H]1C[NH2+]C[C@H]1O)c1ccc(-c2ccc(F)cc2)s1 ZINC000423412741 296414023 /nfs/dbraw/zinc/41/40/23/296414023.db2.gz XJCHCPYUTOCWCL-CORIIIEPSA-N 2 0 320.433 2.785 20 0 DFADRP CCCCO[C@H]1C[C@@H]([NH2+]CC2(COC)CC[NH2+]CC2)C1(C)C ZINC000423413740 296414361 /nfs/dbraw/zinc/41/43/61/296414361.db2.gz ZXBIKNCDCYNNTL-CVEARBPZSA-N 2 0 312.498 2.576 20 0 DFADRP c1ccc([C@H]([NH2+][C@@H]2C[C@H]2C2CC[NH2+]CC2)c2ccncn2)cc1 ZINC000423427000 296415941 /nfs/dbraw/zinc/41/59/41/296415941.db2.gz FLAVSMYOVQQGJA-UHOSZYNNSA-N 2 0 308.429 2.544 20 0 DFADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)[C@@H]1C[C@@]1(C)C(C)C ZINC000356445173 285247567 /nfs/dbraw/zinc/24/75/67/285247567.db2.gz JBTQLKSZJNQHFW-AOIWGVFYSA-N 2 0 323.525 2.543 20 0 DFADRP COc1cc2c(cc1OC)[C@@H]([NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1)CC2 ZINC000423424767 296415477 /nfs/dbraw/zinc/41/54/77/296415477.db2.gz CXYQPKHMCJDNNK-BHYGNILZSA-N 2 0 316.445 2.669 20 0 DFADRP COc1ccccc1NC(=O)C[C@@H](C)[NH2+][C@@H](C)CCCC[NH3+] ZINC000423429249 296415787 /nfs/dbraw/zinc/41/57/87/296415787.db2.gz KCKUJRFNJVXGBL-UONOGXRCSA-N 2 0 307.438 2.519 20 0 DFADRP Cc1ccc([C@@H](CCn2cncn2)[NH2+][C@@H](C)CCCC[NH3+])cc1 ZINC000423445189 296417172 /nfs/dbraw/zinc/41/71/72/296417172.db2.gz XQQCOSBFVYXUJL-FUHWJXTLSA-N 2 0 315.465 2.825 20 0 DFADRP CC[C@@H]([NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1)c1ccc2c(c1)OCCO2 ZINC000423430138 296416211 /nfs/dbraw/zinc/41/62/11/296416211.db2.gz HYGFRVOQMLSUFX-GVDBMIGSSA-N 2 0 316.445 2.887 20 0 DFADRP C[C@H](CCCO)C[NH2+][C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000294810378 224236031 /nfs/dbraw/zinc/23/60/31/224236031.db2.gz NUDCYTFEKJNZNO-ZIFCJYIRSA-N 2 0 304.478 2.895 20 0 DFADRP CC[C@@H]([NH2+]C[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1)[C@H]1CCOC1 ZINC000423468126 296418782 /nfs/dbraw/zinc/41/87/82/296418782.db2.gz JKEVFJSNFIOOMC-RNIPGJKVSA-N 2 0 320.452 2.924 20 0 DFADRP C[C@@H](CC(=O)N(C)c1ccccc1)[NH2+]CCC[C@H]1CCC[NH2+]1 ZINC000423475923 296419841 /nfs/dbraw/zinc/41/98/41/296419841.db2.gz IHLQJSNVZHTWLL-HOTGVXAUSA-N 2 0 303.450 2.550 20 0 DFADRP CC(=O)NCCc1ccc([C@H](C)[NH2+]C[C@@H]2CCC[C@H]([NH3+])C2)cc1 ZINC000423481016 296420235 /nfs/dbraw/zinc/42/02/35/296420235.db2.gz WMUKPRGHBFBPDK-YJLNNSPDSA-N 2 0 317.477 2.533 20 0 DFADRP Cc1noc(CCC[NH2+][C@@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)n1 ZINC000347943326 285261446 /nfs/dbraw/zinc/26/14/46/285261446.db2.gz WQLQFPIDOXRAOI-ZFWWWQNUSA-N 2 0 306.454 2.553 20 0 DFADRP c1ccc([C@@H]2C[NH2+]C[C@H]2N[C@H]2CC[NH2+][C@H](c3ccccc3)C2)cc1 ZINC000423534434 296427618 /nfs/dbraw/zinc/42/76/18/296427618.db2.gz VYVJKTUGZUMMII-XSDIEEQYSA-N 2 0 321.468 2.825 20 0 DFADRP c1ccc([C@@H]2C[NH2+]C[C@H]2N[C@H]2CC[NH2+][C@@H](c3ccccc3)C2)cc1 ZINC000423534433 296427631 /nfs/dbraw/zinc/42/76/31/296427631.db2.gz VYVJKTUGZUMMII-UWHLTILDSA-N 2 0 321.468 2.825 20 0 DFADRP COCC[C@H](Cc1cccc(F)c1)[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000423540014 296427875 /nfs/dbraw/zinc/42/78/75/296427875.db2.gz JEYBTGZJMPOVRN-QFHJOOASSA-N 2 0 320.452 2.751 20 0 DFADRP CCCC(CCC)C(=O)NC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000120655454 195209447 /nfs/dbraw/zinc/20/94/47/195209447.db2.gz JQFBQNJLILHPRW-UHFFFAOYSA-N 2 0 323.525 2.878 20 0 DFADRP COc1ccc([C@@H](C)[C@@H](C)[NH2+]CCC[NH2+]C2CC2)cc1OC ZINC000423542436 296428150 /nfs/dbraw/zinc/42/81/50/296428150.db2.gz BAERVWJUHASBNE-UONOGXRCSA-N 2 0 306.450 2.928 20 0 DFADRP COc1cc([C@H](C)[NH2+]CCC2=CC[NH2+]CC2)cc(OC)c1OC ZINC000423561673 296429790 /nfs/dbraw/zinc/42/97/90/296429790.db2.gz PWMARFYORMQBEE-ZDUSSCGKSA-N 2 0 320.433 2.673 20 0 DFADRP OC[C@H]1CCC[N@@H+]1CCCC[NH2+][C@@H]1CCCc2ccccc21 ZINC000268904043 285290381 /nfs/dbraw/zinc/29/03/81/285290381.db2.gz LPLVAARMRVVVSL-IEBWSBKVSA-N 2 0 302.462 2.891 20 0 DFADRP CC[NH+](CC)Cc1ccc(C(=O)NC[C@@H]2CCC[N@H+](CC)C2)o1 ZINC000624263979 399620027 /nfs/dbraw/zinc/62/00/27/399620027.db2.gz PBCCOGRFPBYENU-HNNXBMFYSA-N 2 0 321.465 2.583 20 0 DFADRP C[C@@H]([NH2+][C@@H](C)c1cccc(OCC[NH+](C)C)c1)c1cn[nH]c1 ZINC000271601932 209049155 /nfs/dbraw/zinc/04/91/55/209049155.db2.gz ZQAQKQRIEHQHKQ-UONOGXRCSA-N 2 0 302.422 2.762 20 0 DFADRP C[C@@H]([NH2+]Cc1ccc(OCC[NH+]2CCCC2)cc1)[C@H]1CCCO1 ZINC000075782546 542473614 /nfs/dbraw/zinc/47/36/14/542473614.db2.gz AAHPVEXBDODNOH-VQIMIIECSA-N 2 0 318.461 2.818 20 0 DFADRP CC[N@H+](Cc1ccc(CO)o1)Cc1ccc(C[NH+](C)C)cc1 ZINC000289548820 221058485 /nfs/dbraw/zinc/05/84/85/221058485.db2.gz XNLSNYJVULEBJF-UHFFFAOYSA-N 2 0 302.418 2.856 20 0 DFADRP CC(C)[C@H]1C[N@H+](Cc2ccccc2)CCN1C[C@@H]1CCC[NH+]1C ZINC000625728542 399626015 /nfs/dbraw/zinc/62/60/15/399626015.db2.gz XHMLWBVAOGPNBL-VQTJNVASSA-N 2 0 315.505 2.923 20 0 DFADRP CC1(C)[C@@H](c2ccccc2)[C@@H]1[NH2+][C@@H]1CCOC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000629512472 399629750 /nfs/dbraw/zinc/62/97/50/399629750.db2.gz AMJRPVGJSLCKIU-OYSTVDSJSA-N 2 0 314.473 2.925 20 0 DFADRP C[C@H]([NH3+])[C@@H]1COCC[C@H]1[N@@H+]1CC[C@@H](Oc2cccc(Cl)c2)C1 ZINC000629512926 399630348 /nfs/dbraw/zinc/63/03/48/399630348.db2.gz CZOGNTZJCADSGI-NKKGCODLSA-N 2 0 324.852 2.545 20 0 DFADRP Cc1cnccc1C[NH+]1CCC(C[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000294882949 224284627 /nfs/dbraw/zinc/28/46/27/224284627.db2.gz QXDVPGMDNDFNQI-IRXDYDNUSA-N 2 0 317.477 2.711 20 0 DFADRP CC(C)[C@H](CSc1ccccc1)[NH2+]CC1([NH3+])CCOCC1 ZINC000629523699 399635189 /nfs/dbraw/zinc/63/51/89/399635189.db2.gz IDHUXEIKNJTBAJ-INIZCTEOSA-N 2 0 308.491 2.901 20 0 DFADRP CC(C)CC[C@H](CO)[NH2+][C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000629525198 399635214 /nfs/dbraw/zinc/63/52/14/399635214.db2.gz WOUUPNSZFNDSQY-SZVBFZGTSA-N 2 0 318.461 2.629 20 0 DFADRP CCC[NH+]1CCC([NH2+]C[C@@]2(CO)C[C@@H]2c2ccccc2)CC1 ZINC000289855587 221271466 /nfs/dbraw/zinc/27/14/66/221271466.db2.gz QSXMSJDXBFRCAI-RTBURBONSA-N 2 0 302.462 2.617 20 0 DFADRP CCC1([NH+]2CCCC2)CCN(CC2(CC(=O)OC)CC2)CC1 ZINC000602948106 399636706 /nfs/dbraw/zinc/63/67/06/399636706.db2.gz ACCSJTQPFQIAOW-UHFFFAOYSA-N 2 0 308.466 2.670 20 0 DFADRP C[NH2+]CCOCC[NH2+][C@@H](C)c1nc(-c2ccccc2)cs1 ZINC000629528983 399636932 /nfs/dbraw/zinc/63/69/32/399636932.db2.gz OLUPBOXNJUOOIC-ZDUSSCGKSA-N 2 0 305.447 2.697 20 0 DFADRP C[NH2+]CCOCC[NH2+][C@@H](c1ccccc1)c1ccc(F)cc1 ZINC000629530173 399637697 /nfs/dbraw/zinc/63/76/97/399637697.db2.gz XHQZUSSLVQDHTB-SFHVURJKSA-N 2 0 302.393 2.741 20 0 DFADRP CC[C@H]1[NH2+]CC[C@H]1C(=O)Nc1cccc(C[NH+]2CCCCC2)c1 ZINC000289967550 221348317 /nfs/dbraw/zinc/34/83/17/221348317.db2.gz NERKVTNYCXUGTB-QZTJIDSGSA-N 2 0 315.461 2.999 20 0 DFADRP C[NH2+]CCOCC[NH2+][C@H](C)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000629530703 399637993 /nfs/dbraw/zinc/63/79/93/399637993.db2.gz NWIAKZOYIZHQNY-GRYCIOLGSA-N 2 0 302.871 2.719 20 0 DFADRP Brc1cnccc1C[N@@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000629533233 399638079 /nfs/dbraw/zinc/63/80/79/399638079.db2.gz OMFWLDQZKRQPNW-OLZOCXBDSA-N 2 0 324.266 2.666 20 0 DFADRP C[C@@H]([NH2+]CCOCCC[NH3+])c1sccc1Br ZINC000629536116 399639309 /nfs/dbraw/zinc/63/93/09/399639309.db2.gz FSLXHWWLAQZLGG-SECBINFHSA-N 2 0 307.257 2.527 20 0 DFADRP C[C@H]1CC2(C[N@@H+]1Cc1ccncc1Br)CC[NH2+]CC2 ZINC000629540723 399641277 /nfs/dbraw/zinc/64/12/77/399641277.db2.gz WVDSCIAKJXMEGY-LBPRGKRZSA-N 2 0 324.266 2.808 20 0 DFADRP C[C@@H]1CC[C@@H](N[C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C[NH2+]1 ZINC000629543370 399641310 /nfs/dbraw/zinc/64/13/10/399641310.db2.gz ZPIJLMAAJAMMDS-RUGGUXRKSA-N 2 0 313.489 2.912 20 0 DFADRP CC(C)[C@@H](C[NH2+]C[C@@H](O)C[NH+]1CCCC1)Cc1ccccc1 ZINC000629576640 399653414 /nfs/dbraw/zinc/65/34/14/399653414.db2.gz NVHPMRAAIIBUNI-RTBURBONSA-N 2 0 304.478 2.548 20 0 DFADRP O[C@H](C[NH2+][C@H]1C[C@H](c2ccccc2Cl)C1)C[NH+]1CCCC1 ZINC000629580230 399653881 /nfs/dbraw/zinc/65/38/81/399653881.db2.gz OALNAKQGVKZSGY-RBSFLKMASA-N 2 0 308.853 2.632 20 0 DFADRP Cc1cc(C)n(-c2ccc(C[N@@H+]3C[C@@]4(C)C[NH2+]C[C@@]4(C)C3)cc2)n1 ZINC000629585632 399655674 /nfs/dbraw/zinc/65/56/74/399655674.db2.gz ZNDNKKRXYFJUPO-BGYRXZFFSA-N 2 0 324.472 2.921 20 0 DFADRP C[C@@H]1[NH2+]CC[C@H]1N[C@@H]1CC[N@H+](Cc2ccccc2)[C@H]2CCC[C@@H]21 ZINC000629548260 399643639 /nfs/dbraw/zinc/64/36/39/399643639.db2.gz YIDYTWFUHICHBT-FKICDVMDSA-N 2 0 313.489 2.770 20 0 DFADRP C[C@H]([NH3+])[C@H]1COCC[C@@H]1[NH2+]Cc1ccnc(-c2ccccc2)c1 ZINC000629550974 399645257 /nfs/dbraw/zinc/64/52/57/399645257.db2.gz QJEFYGAXZINQHE-QGTPRVQTSA-N 2 0 311.429 2.591 20 0 DFADRP CC(C)CC[C@H]([NH2+]Cc1cn([C@@H]2CC[NH2+]C2)nn1)C(C)(C)C ZINC000629551830 399645684 /nfs/dbraw/zinc/64/56/84/399645684.db2.gz XGXORBRCELIFSK-CVEARBPZSA-N 2 0 307.486 2.753 20 0 DFADRP C[NH2+]CCOCCN(C)Cc1coc(-c2cccc(Cl)c2)n1 ZINC000629568312 399652392 /nfs/dbraw/zinc/65/23/92/399652392.db2.gz JAXHZJHSCVUUCJ-UHFFFAOYSA-N 2 0 323.824 2.663 20 0 DFADRP C[NH2+]CCOCC[N@H+](C)CCCc1cccc2ccccc21 ZINC000629571455 399652505 /nfs/dbraw/zinc/65/25/05/399652505.db2.gz METCAANLRNUCHZ-UHFFFAOYSA-N 2 0 300.446 2.940 20 0 DFADRP CC[C@@H]1[C@@H](C(=O)N[C@@H](C)[C@H](c2ccccc2)[NH+](C)C)CC[N@@H+]1C ZINC000632517545 399682049 /nfs/dbraw/zinc/68/20/49/399682049.db2.gz MMPDROXXLJFHOJ-DZJNRPSUSA-N 2 0 317.477 2.524 20 0 DFADRP COc1ccc(-c2ccccc2)cc1C[N@H+](C)CCOCC[NH3+] ZINC000629663970 399682173 /nfs/dbraw/zinc/68/21/73/399682173.db2.gz JAIGBQCRWNCHTA-UHFFFAOYSA-N 2 0 314.429 2.769 20 0 DFADRP COC(=O)c1coc(C[N@H+](C)CCCC[NH+]2CCCCC2)c1 ZINC000603111574 399683787 /nfs/dbraw/zinc/68/37/87/399683787.db2.gz RTRWUGDWNXNTLZ-UHFFFAOYSA-N 2 0 308.422 2.764 20 0 DFADRP Cc1nn(C)c(N(C)C)c1CNCCC[N@H+](C)C1CCCCC1 ZINC000624510442 399695749 /nfs/dbraw/zinc/69/57/49/399695749.db2.gz JILHSSUJRARKNV-UHFFFAOYSA-N 2 0 321.513 2.539 20 0 DFADRP Cn1nnc2ccc(-c3cccc(C[NH+]4CCC([NH3+])CC4)c3)cc21 ZINC000629710683 399698358 /nfs/dbraw/zinc/69/83/58/399698358.db2.gz XJDXJMQBRWQTMQ-UHFFFAOYSA-N 2 0 321.428 2.558 20 0 DFADRP CCC[NH+]1CCN(c2ccccc2C[NH2+]Cc2ccccn2)CC1 ZINC000088668549 542528842 /nfs/dbraw/zinc/52/88/42/542528842.db2.gz DDIILHZIJBKUSZ-UHFFFAOYSA-N 2 0 324.472 2.903 20 0 DFADRP C[C@@H]([NH2+]CCc1nc2c(s1)CCCC2)C1CC[NH+](C)CC1 ZINC000089667526 542530458 /nfs/dbraw/zinc/53/04/58/542530458.db2.gz FUZIDUSHBPXMDD-CYBMUJFWSA-N 2 0 307.507 2.884 20 0 DFADRP C[C@@H]([NH3+])c1ccc(C(=O)NCc2ccc(C[NH+](C)C)cc2)cc1 ZINC000423724473 296441921 /nfs/dbraw/zinc/44/19/21/296441921.db2.gz IHGSAWRTMQGVIJ-CQSZACIVSA-N 2 0 311.429 2.698 20 0 DFADRP O[C@@H]1c2ccccc2C[C@@H]1[N@@H+]1CCC[C@@H](C[NH+]2CCCCC2)C1 ZINC000378443237 285337900 /nfs/dbraw/zinc/33/79/00/285337900.db2.gz RRNCCQVNURNZIO-FFZOFVMBSA-N 2 0 314.473 2.843 20 0 DFADRP FC(F)(F)[C@@H]1C[C@H]([NH2+]C2CC[NH+](C3CCC3)CC2)CCO1 ZINC000348088316 285338213 /nfs/dbraw/zinc/33/82/13/285338213.db2.gz SAJRTAUBCXHAPU-OCCSQVGLSA-N 2 0 306.372 2.703 20 0 DFADRP COc1ccc(OC(F)F)c(CN(C)C[C@H]2CC[N@H+](C)C2)c1 ZINC000120955631 195271113 /nfs/dbraw/zinc/27/11/13/195271113.db2.gz UXDMPWQGUWQXMA-LBPRGKRZSA-N 2 0 314.376 2.680 20 0 DFADRP Cc1ccc([C@@H](C)[NH2+]C[C@@H](C)CN2CC[NH+](C)CC2)c(C)c1 ZINC000120993472 195277041 /nfs/dbraw/zinc/27/70/41/195277041.db2.gz ILRPQZXNTGGKHX-SJLPKXTDSA-N 2 0 303.494 2.838 20 0 DFADRP CCN(CCC[NH+](CC)CC)C(=O)c1ccc([C@H](C)[NH3+])cc1 ZINC000423777696 296446428 /nfs/dbraw/zinc/44/64/28/296446428.db2.gz GDBXVZHOGBDIGH-HNNXBMFYSA-N 2 0 305.466 2.900 20 0 DFADRP CC[C@@H]([NH2+]C[C@@H](C)CN1CC[NH+](C)CC1)c1ccccc1OC ZINC000121041889 195285867 /nfs/dbraw/zinc/28/58/67/195285867.db2.gz ZIYRRLOJFYSGML-SJLPKXTDSA-N 2 0 319.493 2.619 20 0 DFADRP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@@H]2CCc3cc(F)ccc32)CC1 ZINC000121108766 195294350 /nfs/dbraw/zinc/29/43/50/195294350.db2.gz IVULUAXWMVGTAN-DNVCBOLYSA-N 2 0 319.468 2.676 20 0 DFADRP C[NH+](C)CCN(Cc1cccs1)C(=O)C[C@H]1CCCC[C@H]1[NH3+] ZINC000423776656 296446591 /nfs/dbraw/zinc/44/65/91/296446591.db2.gz QOLGIODDAKCUSL-GDBMZVCRSA-N 2 0 323.506 2.546 20 0 DFADRP CC(C)C[C@@H](C)N(C)C(=O)C[NH+]1CCC(CC[NH+](C)C)CC1 ZINC000121669448 195327704 /nfs/dbraw/zinc/32/77/04/195327704.db2.gz FVJPMDRWBUBHLY-MRXNPFEDSA-N 2 0 311.514 2.543 20 0 DFADRP CC[C@@H]1CC[C@@H]1[NH2+]Cc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC000348124689 285365988 /nfs/dbraw/zinc/36/59/88/285365988.db2.gz NLFJVMWZJXTCDZ-MJGOQNOKSA-N 2 0 302.462 2.922 20 0 DFADRP CCCC[N@H+](C)CC1CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)CC1 ZINC000121773155 195344861 /nfs/dbraw/zinc/34/48/61/195344861.db2.gz MWRYZTPLSVFYAP-QGZVFWFLSA-N 2 0 311.514 2.543 20 0 DFADRP C[C@H]1CCC[C@@H](C[NH2+]Cc2cccnc2N2CC[NH+](C)CC2)C1 ZINC000124124382 195605944 /nfs/dbraw/zinc/60/59/44/195605944.db2.gz ZNEORTCJFCHUKI-DLBZAZTESA-N 2 0 316.493 2.749 20 0 DFADRP CC[N@H+](Cc1ccc(C[NH+](C)C)cc1)[C@H](C)C(=O)NC(C)(C)C ZINC000626062636 399741618 /nfs/dbraw/zinc/74/16/18/399741618.db2.gz ZSTMGQSIXKHGID-OAHLLOKOSA-N 2 0 319.493 2.873 20 0 DFADRP C[C@H]([NH2+][C@H]1CCCN(c2ccccc2)C1)C1CC[NH+](C)CC1 ZINC000120438351 542578045 /nfs/dbraw/zinc/57/80/45/542578045.db2.gz PNGRYVOSOYVHHX-WMZOPIPTSA-N 2 0 301.478 2.975 20 0 DFADRP C[C@@H]([NH2+]CC1CCOCC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000309714444 533367761 /nfs/dbraw/zinc/36/77/61/533367761.db2.gz LFOUIKSXTPJYFT-APWZRJJASA-N 2 0 302.462 2.913 20 0 DFADRP CCCc1ccc(C[NH2+]CCCC[NH+]2CCN(C)CC2)s1 ZINC000621328840 399756098 /nfs/dbraw/zinc/75/60/98/399756098.db2.gz FXANSXSHAQZTTQ-UHFFFAOYSA-N 2 0 309.523 2.818 20 0 DFADRP CCCc1ccc(C[NH2+]CCCN2CCC[N@H+](C)CC2)s1 ZINC000621334514 399757426 /nfs/dbraw/zinc/75/74/26/399757426.db2.gz IHZMEOLGYKSFTD-UHFFFAOYSA-N 2 0 309.523 2.818 20 0 DFADRP C[NH+]1CCN(C(C)(C)C[NH2+]Cc2cccc(Cl)c2F)CC1 ZINC000125092744 542600244 /nfs/dbraw/zinc/60/02/44/542600244.db2.gz HTSNWXAAKBARLF-UHFFFAOYSA-N 2 0 313.848 2.595 20 0 DFADRP C[C@H]([NH2+]C(C)(C)CNC(=O)C[N@H+](C)C1CCC1)c1ccccc1 ZINC000629957550 399768551 /nfs/dbraw/zinc/76/85/51/399768551.db2.gz KLHNHNSUIJZXSA-HNNXBMFYSA-N 2 0 317.477 2.716 20 0 DFADRP C[C@@H]([NH2+]C(C)(C)CNC(=O)C[N@H+](C)C1CCC1)c1ccccc1 ZINC000629957552 399769222 /nfs/dbraw/zinc/76/92/22/399769222.db2.gz KLHNHNSUIJZXSA-OAHLLOKOSA-N 2 0 317.477 2.716 20 0 DFADRP CC1([NH2+]Cc2ccc(OCC[NH+]3CCCC3)cc2)CCOCC1 ZINC000131153508 542636011 /nfs/dbraw/zinc/63/60/11/542636011.db2.gz MLYDGVDIKDLXNA-UHFFFAOYSA-N 2 0 318.461 2.820 20 0 DFADRP C[C@H]([NH2+]Cc1cccc(Cn2ccnc2)c1)C1CC[NH+](C)CC1 ZINC000151363168 542666983 /nfs/dbraw/zinc/66/69/83/542666983.db2.gz JLPBMKNIPFQRBQ-INIZCTEOSA-N 2 0 312.461 2.751 20 0 DFADRP C[C@@H]([NH2+]CC1CC[NH+](CCO)CC1)c1cccc(C2CC2)c1 ZINC000340232460 131239611 /nfs/dbraw/zinc/23/96/11/131239611.db2.gz FGZYNJGGOSWWOJ-OAHLLOKOSA-N 2 0 302.462 2.919 20 0 DFADRP C[C@@H]1C[C@H](C[NH+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@@H]3C2)CCO1 ZINC000348315351 285488790 /nfs/dbraw/zinc/48/87/90/285488790.db2.gz ITOFRRGFWQDWFV-VBSBHUPXSA-N 2 0 314.473 2.865 20 0 DFADRP C[C@@H]([NH2+]Cc1ccc(-n2ccnc2)c(F)c1)C1CC[NH+](C)CC1 ZINC000153680752 542684116 /nfs/dbraw/zinc/68/41/16/542684116.db2.gz APROSNYYLUSVKR-CQSZACIVSA-N 2 0 316.424 2.831 20 0 DFADRP COCCOc1ccc(C[NH2+][C@@H](C)C2CC[NH+](C)CC2)cc1 ZINC000154101623 542686594 /nfs/dbraw/zinc/68/65/94/542686594.db2.gz PFTFQJMTYPVANN-HNNXBMFYSA-N 2 0 306.450 2.532 20 0 DFADRP CCCN(C(=O)CC[C@@H]([NH3+])CC1CCCCC1)[C@H]1CC[NH2+]C1 ZINC000424075634 296483235 /nfs/dbraw/zinc/48/32/35/296483235.db2.gz JXPHZQHSJNVQEP-SJORKVTESA-N 2 0 309.498 2.665 20 0 DFADRP [NH3+][C@H](C(=O)NCc1ccc(C[NH+]2CCCC2)cc1)c1ccccc1 ZINC000163848420 132124433 /nfs/dbraw/zinc/12/44/33/132124433.db2.gz OGLVOMSDESEMHS-IBGZPJMESA-N 2 0 323.440 2.599 20 0 DFADRP COC1CCN(CC[NH2+][C@H]2CCCOc3ccccc32)CC1 ZINC000163705429 542743562 /nfs/dbraw/zinc/74/35/62/542743562.db2.gz GBVLXNUHVSVIOA-KRWDZBQOSA-N 2 0 304.434 2.601 20 0 DFADRP CC[N@H+](CCCNC(=O)C[NH+](C)C1CCC1)C1CCCCC1 ZINC000630012576 399792466 /nfs/dbraw/zinc/79/24/66/399792466.db2.gz ZSMOLPJDKSGRAK-UHFFFAOYSA-N 2 0 309.498 2.632 20 0 DFADRP Cc1ccc([C@H](CN[C@H]2CC[N@@H+]3CCC[C@@H]3C2)[NH+](C)C)cc1 ZINC000166379269 542751665 /nfs/dbraw/zinc/75/16/65/542751665.db2.gz XQDDZUUQCGYJLC-OTWHNJEPSA-N 2 0 301.478 2.814 20 0 DFADRP Fc1ccc(N2CC[C@H](C[NH2+][C@@H]3CC[N@@H+]4CCC[C@@H]4C3)C2)cc1 ZINC000166298529 542752264 /nfs/dbraw/zinc/75/22/64/542752264.db2.gz FHLCNCKSJPJQCC-SZVBFZGTSA-N 2 0 317.452 2.868 20 0 DFADRP CC(C)C[C@@H]([NH3+])C(=O)NCC(C)(C)[NH2+][C@H](C)c1ccccc1 ZINC000167618050 542753473 /nfs/dbraw/zinc/75/34/73/542753473.db2.gz WVZBEXQSCXCSCE-GDBMZVCRSA-N 2 0 305.466 2.605 20 0 DFADRP C[NH+](C)CC1CCN(C(=O)CC[C@@H]([NH3+])CC2CCCCC2)CC1 ZINC000424127874 296486435 /nfs/dbraw/zinc/48/64/35/296486435.db2.gz DMPGSURUMBQLCN-GOSISDBHSA-N 2 0 323.525 2.865 20 0 DFADRP CC[NH+](CC)C[C@@H](C)NC(=O)CC[C@H]([NH3+])CC1CCCCC1 ZINC000424134400 296486789 /nfs/dbraw/zinc/48/67/89/296486789.db2.gz NOBJRXDRLKKPLY-WBVHZDCISA-N 2 0 311.514 2.911 20 0 DFADRP C[N@@H+]1CCCN(CCC[NH2+]Cc2sccc2Cl)CC1 ZINC000193088391 542856504 /nfs/dbraw/zinc/85/65/04/542856504.db2.gz ZRWBGBIKGMZXNM-UHFFFAOYSA-N 2 0 301.887 2.519 20 0 DFADRP CC(C)C[C@@H]([NH3+])C(=O)NC[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000236723749 542896985 /nfs/dbraw/zinc/89/69/85/542896985.db2.gz FLEVQMCMKULAAS-QZTJIDSGSA-N 2 0 317.477 2.531 20 0 DFADRP C[NH+](C)CCOc1ccc(C[NH2+]CCC2CCOCC2)cc1 ZINC000603949250 399819645 /nfs/dbraw/zinc/81/96/45/399819645.db2.gz IEFRDFOUMBCXJC-UHFFFAOYSA-N 2 0 306.450 2.533 20 0 DFADRP C(CC12CC3CC(CC(C3)C1)C2)[N@@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000261637925 542952516 /nfs/dbraw/zinc/95/25/16/542952516.db2.gz DPKOCVRORHNVEX-NRFBVMONSA-N 2 0 317.521 2.572 20 0 DFADRP C(CC12CC3CC(CC(C3)C1)C2)[N@@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000261637930 542952626 /nfs/dbraw/zinc/95/26/26/542952626.db2.gz DPKOCVRORHNVEX-WFRNDULYSA-N 2 0 317.521 2.572 20 0 DFADRP Cc1cccc(C[NH+]2CCC(n3ncc4c3C[NH2+]C4)CC2)c1C ZINC000424381451 296505909 /nfs/dbraw/zinc/50/59/09/296505909.db2.gz QVBVCRFKSRWELY-UHFFFAOYSA-N 2 0 310.445 2.940 20 0 DFADRP Cc1[nH+]c2ccccc2c(N2C[C@@H](c3cnn(C)c3)[C@H]([NH3+])C2)c1C ZINC000424415764 296508083 /nfs/dbraw/zinc/50/80/83/296508083.db2.gz UFSCDNIKYPQNET-DLBZAZTESA-N 2 0 321.428 2.516 20 0 DFADRP C[C@@H]([NH2+]C1CCN(Cc2ccccc2)CC1)C1CC[NH+](C)CC1 ZINC000302864596 543049081 /nfs/dbraw/zinc/04/90/81/543049081.db2.gz LYXPWDCHKZKWDN-QGZVFWFLSA-N 2 0 315.505 2.971 20 0 DFADRP C[C@@H](NC(=O)CCC(C)(C)[NH3+])[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000309770560 543065649 /nfs/dbraw/zinc/06/56/49/543065649.db2.gz HIUSAAUTANFWEY-NVXWUHKLSA-N 2 0 317.477 2.531 20 0 DFADRP c1ccc(C[N@H+]2CCC[C@@H](CN[C@@H]3CCC[NH2+]CC3)C2)cc1 ZINC000309764605 543065804 /nfs/dbraw/zinc/06/58/04/543065804.db2.gz ZCUMFVGJELSVMO-RBUKOAKNSA-N 2 0 301.478 2.630 20 0 DFADRP CC[NH+](CC)Cc1ccc(C(=O)N(C)C[C@@H]2CCC[N@H+](C)C2)o1 ZINC000604346477 399840484 /nfs/dbraw/zinc/84/04/84/399840484.db2.gz QAMOEVIKYXYRGE-OAHLLOKOSA-N 2 0 321.465 2.535 20 0 DFADRP c1ccc(C[N@H+]2CCC[C@H](CN[C@@H]3CCC[NH2+]CC3)C2)cc1 ZINC000309764986 543066097 /nfs/dbraw/zinc/06/60/97/543066097.db2.gz ZCUMFVGJELSVMO-RTBURBONSA-N 2 0 301.478 2.630 20 0 DFADRP C[C@H]([NH2+]CC(C)(C)N1CC[NH+](C)CC1)c1cc(F)ccc1F ZINC000314079820 543068478 /nfs/dbraw/zinc/06/84/78/543068478.db2.gz VITYJAZGSFPOGA-ZDUSSCGKSA-N 2 0 311.420 2.641 20 0 DFADRP C[C@@H](NC(=O)CCC(C)(C)[NH3+])[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000309770562 543065413 /nfs/dbraw/zinc/06/54/13/543065413.db2.gz HIUSAAUTANFWEY-WBVHZDCISA-N 2 0 317.477 2.531 20 0 DFADRP C[C@H]([NH2+][C@@H](C)C1CC[NH+](C)CC1)c1ccc(NC(N)=O)cc1 ZINC000315544047 543071773 /nfs/dbraw/zinc/07/17/73/543071773.db2.gz MGEJVOVKTXDDMA-STQMWFEESA-N 2 0 304.438 2.558 20 0 DFADRP Cc1nc([C@H](C)[NH2+]C[C@H](C(C)C)N2CC[NH+](C)CC2)c(C)s1 ZINC000315288760 543071782 /nfs/dbraw/zinc/07/17/82/543071782.db2.gz NMJKVJPNEUSMQV-XJKSGUPXSA-N 2 0 324.538 2.683 20 0 DFADRP COc1ccc(C)cc1[C@H](C)[NH2+]CC(C)(C)N1CC[NH+](C)CC1 ZINC000319906033 543080591 /nfs/dbraw/zinc/08/05/91/543080591.db2.gz CPSMZUNJYSVNET-INIZCTEOSA-N 2 0 319.493 2.680 20 0 DFADRP CC[C@@H]([NH2+]CC(C)(C)N1CC[NH+](C)CC1)c1ccc(OC)cc1 ZINC000320176141 543081339 /nfs/dbraw/zinc/08/13/39/543081339.db2.gz NODBERIAROQKBW-GOSISDBHSA-N 2 0 319.493 2.762 20 0 DFADRP CC[NH+](CC)Cc1ccccc1CNC(=O)[C@H]1CCC[C@H]1C[NH3+] ZINC000321274048 543085016 /nfs/dbraw/zinc/08/50/16/543085016.db2.gz SBCNAGDLMFHVOB-YJBOKZPZSA-N 2 0 317.477 2.520 20 0 DFADRP CC[NH+](CC)[C@@H](C(=O)NC[C@H](C)[NH+](CC)CC)c1ccccc1 ZINC000348870122 285706928 /nfs/dbraw/zinc/70/69/28/285706928.db2.gz AKRWEJUDJGQVSX-FUHWJXTLSA-N 2 0 319.493 2.916 20 0 DFADRP Cc1ccc(F)cc1CN(CCC[NH+](C)C)CCC[NH+](C)C ZINC000348919779 285721481 /nfs/dbraw/zinc/72/14/81/285721481.db2.gz HIJYSMMAGHZZCP-UHFFFAOYSA-N 2 0 309.473 2.840 20 0 DFADRP CC[C@H]1CCCC[N@@H+]1CCNC(=O)CC[NH+]1CCCC[C@H]1C ZINC000339274407 543143675 /nfs/dbraw/zinc/14/36/75/543143675.db2.gz IZVHXRYJGBYUJN-SJORKVTESA-N 2 0 309.498 2.632 20 0 DFADRP C[C@@H]1CCCC[N@@H+]1CCC(=O)N[C@H](CC[NH+](C)C)C(C)(C)C ZINC000339286163 543143816 /nfs/dbraw/zinc/14/38/16/543143816.db2.gz KRVVZIYXVOIBSH-HZPDHXFCSA-N 2 0 311.514 2.734 20 0 DFADRP C[C@H](CN[C@H]1CC[N@@H+]2CCC[C@H]2C1)[NH+](C)Cc1ccccc1 ZINC000339066205 543139515 /nfs/dbraw/zinc/13/95/15/543139515.db2.gz FUVPKSLYIIMZGG-NEWSRXKRSA-N 2 0 301.478 2.723 20 0 DFADRP c1nn(-c2ccccc2)cc1CC[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000339070078 543140414 /nfs/dbraw/zinc/14/04/14/543140414.db2.gz WDQYRIPPTSVXSI-MJGOQNOKSA-N 2 0 310.445 2.631 20 0 DFADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCC[NH2+][C@@H]2CC[NH+]3CCC[C@H]3C2)C1 ZINC000339070122 543140563 /nfs/dbraw/zinc/14/05/63/543140563.db2.gz WTTRSYMNFNJTRC-HCXYKTFWSA-N 3 0 307.526 2.961 20 0 DFADRP CC[NH+](CC)C[C@H](C)NC1CC[NH+](CCC(F)(F)F)CC1 ZINC000356844064 543258979 /nfs/dbraw/zinc/25/89/79/543258979.db2.gz LZGJYGIGUIJXDK-ZDUSSCGKSA-N 2 0 309.420 2.723 20 0 DFADRP COc1cc2c(cc1OC)[C@H]([NH2+]CC1=CC[N@H+](C)CC1)CC2 ZINC000358965232 543270036 /nfs/dbraw/zinc/27/00/36/543270036.db2.gz MOUZVJIGTUHOBG-MRXNPFEDSA-N 2 0 302.418 2.543 20 0 DFADRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+][C@H]1CCCc2ccc(F)cc21 ZINC000349339447 285837899 /nfs/dbraw/zinc/83/78/99/285837899.db2.gz CVFGWXXBEZMLMY-BEFAXECRSA-N 2 0 319.468 2.819 20 0 DFADRP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)[C@@H]2C[C@@H]2c2ccccc2)CC1 ZINC000411244767 543316956 /nfs/dbraw/zinc/31/69/56/543316956.db2.gz NTZLKYGPKLTLAN-ATZDWAIDSA-N 2 0 302.462 2.567 20 0 DFADRP C[C@H](CC(=O)N1CC[NH+](CCC(C)(C)C)CC1)[C@@H]1CCC[NH2+]C1 ZINC000165701241 145231106 /nfs/dbraw/zinc/23/11/06/145231106.db2.gz GITDDJPZMNKAGJ-IAGOWNOFSA-N 2 0 323.525 2.593 20 0 DFADRP CC1CC[NH+](C[C@@H]2CCCN(C(=O)CCCCCC[NH3+])C2)CC1 ZINC000166435065 145234950 /nfs/dbraw/zinc/23/49/50/145234950.db2.gz LXRWCJZMISHWHM-SFHVURJKSA-N 2 0 323.525 2.866 20 0 DFADRP C[C@@H]([NH3+])[C@@H]1CCN(Cc2nc(-c3ccc(Cl)cc3)no2)C1 ZINC000168676148 145243938 /nfs/dbraw/zinc/24/39/38/145243938.db2.gz IEKIWIPWSPGTJS-ZYHUDNBSSA-N 2 0 306.797 2.559 20 0 DFADRP C[C@H](CC(=O)NCCCCC[NH+]1CCCCC1)[C@H]1CCC[NH2+]C1 ZINC000168743095 145244036 /nfs/dbraw/zinc/24/40/36/145244036.db2.gz OQAGBQIVZZFIFV-MSOLQXFVSA-N 2 0 323.525 2.785 20 0 DFADRP C[C@H]([NH3+])[C@H]1CCN(Cc2nc(-c3cccc(Cl)c3)no2)C1 ZINC000168612527 145244553 /nfs/dbraw/zinc/24/45/53/145244553.db2.gz PQHYUHNJCNPGNJ-JQWIXIFHSA-N 2 0 306.797 2.559 20 0 DFADRP CCc1ncc(C[NH2+]CCCC[N@H+]2C[C@H](C)C[C@H](C)C2)cn1 ZINC000414280763 543324980 /nfs/dbraw/zinc/32/49/80/543324980.db2.gz DTGHCWAZRUFHFW-IYBDPMFKSA-N 2 0 304.482 2.887 20 0 DFADRP OC1(C[NH2+][C@@H]2CC[C@@H]2C2CC2)CC[NH+](Cc2ccccc2)CC1 ZINC000414307967 543325646 /nfs/dbraw/zinc/32/56/46/543325646.db2.gz PSEPKELCEPQCLV-RTBURBONSA-N 2 0 314.473 2.792 20 0 DFADRP [NH3+][C@H]1CCC[C@@H]([NH2+]Cc2cnn(-c3ccc(Cl)cc3)c2)C1 ZINC000414908506 543327974 /nfs/dbraw/zinc/32/79/74/543327974.db2.gz BMDRPVFEPSHCRF-LSDHHAIUSA-N 2 0 304.825 2.885 20 0 DFADRP [NH3+][C@@H]1CCC[C@@H](NC2CC[NH+](CCc3ccc(F)cc3)CC2)C1 ZINC000414925358 543328066 /nfs/dbraw/zinc/32/80/66/543328066.db2.gz LQMJQAHQFUBNSP-IEBWSBKVSA-N 2 0 319.468 2.692 20 0 DFADRP FC(F)(F)c1ccc2c(NC[C@H]3COCC[NH2+]3)cc[nH+]c2c1 ZINC000630532912 399899603 /nfs/dbraw/zinc/89/96/03/399899603.db2.gz OCWVTBBGMIYCOR-NSHDSACASA-N 2 0 311.307 2.654 20 0 DFADRP CCOc1cc2[nH+]ccc(N3C[C@H]([NH3+])C[C@@H]3C)c2cc1OCC ZINC000630559013 399903178 /nfs/dbraw/zinc/90/31/78/399903178.db2.gz NUNIVHOOTGOWFD-QWHCGFSZSA-N 2 0 315.417 2.958 20 0 DFADRP C[NH+]1CCN(c2cc[nH+]c(NCc3ccc(F)c(F)c3)c2)CC1 ZINC000630960748 399954013 /nfs/dbraw/zinc/95/40/13/399954013.db2.gz ZHBWWHHHJZRDSK-UHFFFAOYSA-N 2 0 318.371 2.724 20 0 DFADRP C[NH+]1CCN(c2cc[nH+]c(NCc3ncc(Cl)s3)c2)CC1 ZINC000630960522 399954180 /nfs/dbraw/zinc/95/41/80/399954180.db2.gz HBWOIFGDPUERAM-UHFFFAOYSA-N 2 0 323.853 2.555 20 0 DFADRP CCC[C@H](C(=O)N1CCC(CC)([NH+]2CCCC2)CC1)[NH+](C)C ZINC000633954634 399965273 /nfs/dbraw/zinc/96/52/73/399965273.db2.gz VSSBCSDIOHJEOI-MRXNPFEDSA-N 2 0 309.498 2.584 20 0 DFADRP C[NH+]1CCN(CCC[NH2+]Cc2ccc(F)c3ccccc23)CC1 ZINC000631036291 399966634 /nfs/dbraw/zinc/96/66/34/399966634.db2.gz ZNBXUHFYCZYMLY-UHFFFAOYSA-N 2 0 315.436 2.706 20 0 DFADRP O=c1ccc(C[NH2+]C[C@H]2CCC[N@H+](Cc3ccccc3)C2)c[nH]1 ZINC000631055709 399970699 /nfs/dbraw/zinc/97/06/99/399970699.db2.gz DZGSPKXVNFYKIE-GOSISDBHSA-N 2 0 311.429 2.789 20 0 DFADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+]Cc2csc(C)c2C)CC1 ZINC000631063380 399972374 /nfs/dbraw/zinc/97/23/74/399972374.db2.gz JZOVABIWGRHKRK-AWEZNQCLSA-N 2 0 309.523 2.728 20 0 DFADRP CCC[NH+]1CCC(C[NH2+]Cc2cccc(NC(C)=O)c2)CC1 ZINC000631066169 399973139 /nfs/dbraw/zinc/97/31/39/399973139.db2.gz ZLVSLWINQIBUSR-UHFFFAOYSA-N 2 0 303.450 2.857 20 0 DFADRP CC[NH+]1CCC(CC[NH2+]Cc2ccnn2CC2CCC2)CC1 ZINC000631078763 399976345 /nfs/dbraw/zinc/97/63/45/399976345.db2.gz INXFMONBOBRXDC-UHFFFAOYSA-N 2 0 304.482 2.895 20 0 DFADRP CCC1([NH+](C)C)CCN(C(=O)c2cccc(C[NH+](C)C)c2)CC1 ZINC000634121791 399985195 /nfs/dbraw/zinc/98/51/95/399985195.db2.gz GTLNIHAVHYOPAT-UHFFFAOYSA-N 2 0 317.477 2.695 20 0 DFADRP Cn1nc2c(c1C[NH2+]CCCCC[NH+]1CCCC1)CCCC2 ZINC000631144920 399989223 /nfs/dbraw/zinc/98/92/23/399989223.db2.gz WHSRKWKFUPGALZ-UHFFFAOYSA-N 2 0 304.482 2.655 20 0 DFADRP COc1cc(Cl)c(C[NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)cc1OC ZINC000631168602 399994415 /nfs/dbraw/zinc/99/44/15/399994415.db2.gz HKVNNCBCDWXFBQ-BJHJDKERSA-N 2 0 312.841 2.787 20 0 DFADRP Cc1ccc([C@@H](C)C[NH+]2CCC([N@@H+](C)C[C@@H](C)O)CC2)cc1 ZINC000628165769 399994638 /nfs/dbraw/zinc/99/46/38/399994638.db2.gz LSENEHQLMFOKTO-DLBZAZTESA-N 2 0 304.478 2.876 20 0 DFADRP Cc1ccc([C@H](C)C[NH2+]CC(C)(C)N2CC[NH+](C)CC2)cc1 ZINC000628201361 400000658 /nfs/dbraw/zinc/00/06/58/400000658.db2.gz CEZGYIMRQBOSPO-QGZVFWFLSA-N 2 0 303.494 2.714 20 0 DFADRP C[C@@H]1C[C@H]([NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)[C@H](C)O1 ZINC000631195709 400000835 /nfs/dbraw/zinc/00/08/35/400000835.db2.gz ZXMPXWDZNOOJRZ-VYDRJQSISA-N 2 0 302.462 2.910 20 0 DFADRP C[NH+]1CCN(c2cc[nH+]c(NCc3ccc4[nH]ccc4c3)c2)CC1 ZINC000631229543 400008337 /nfs/dbraw/zinc/00/83/37/400008337.db2.gz FDGTZXXIALETDH-UHFFFAOYSA-N 2 0 321.428 2.927 20 0 DFADRP Cc1ccc([C@H](C)C[N@H+](C)CCCN2CC[NH+](C)CC2)cc1 ZINC000628279078 400012838 /nfs/dbraw/zinc/01/28/38/400012838.db2.gz SSXBAXHUODCLGE-GOSISDBHSA-N 2 0 303.494 2.668 20 0 DFADRP CC[C@H](C)[N@H+](CCO)Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000628301567 400016844 /nfs/dbraw/zinc/01/68/44/400016844.db2.gz XWANUNFKPDRQKT-KRWDZBQOSA-N 2 0 320.477 2.754 20 0 DFADRP C[C@H](C1CC[NH+](C)CC1)[NH+]1CCN(c2cccc(F)c2)CC1 ZINC000631790166 400075137 /nfs/dbraw/zinc/07/51/37/400075137.db2.gz HVHOEWCSVRUJQT-OAHLLOKOSA-N 2 0 305.441 2.678 20 0 DFADRP C[C@@H]1OCC[C@@H]1C[N@H+](Cc1nccs1)[C@H]1CC12CC[NH2+]CC2 ZINC000631824700 400077812 /nfs/dbraw/zinc/07/78/12/400077812.db2.gz MXZZKTHVJMSKKK-ZNMIVQPWSA-N 2 0 321.490 2.512 20 0 DFADRP Cc1nccnc1C[N@@H+]1CCCC[C@H]1[C@@H](C[NH3+])Cc1ccccc1 ZINC000631824872 400077825 /nfs/dbraw/zinc/07/78/25/400077825.db2.gz SQCXKTPTKLYCJY-QUCCMNQESA-N 2 0 324.472 2.957 20 0 DFADRP [NH3+][C@@H]1CCO[C@H](C2CC[NH+](C[C@H]3CCC(F)(F)C3)CC2)C1 ZINC000631828576 400078124 /nfs/dbraw/zinc/07/81/24/400078124.db2.gz SHALEQFFNQMZIF-CFVMTHIKSA-N 2 0 302.409 2.640 20 0 DFADRP CCn1nc(C)c(C[N@H+](C)Cc2ccc3c(c2)C[NH2+]CC3)c1C ZINC000631835774 400078591 /nfs/dbraw/zinc/07/85/91/400078591.db2.gz XHEJZPAKYSLKGL-UHFFFAOYSA-N 2 0 312.461 2.798 20 0 DFADRP C[C@H]([NH2+]CCOCC[NH+](C)C)c1ccc(C(F)(F)F)cc1 ZINC000219315253 146000423 /nfs/dbraw/zinc/00/04/23/146000423.db2.gz RYCPLPUHWZLQNE-LBPRGKRZSA-N 2 0 304.356 2.934 20 0 DFADRP COC[C@@H](CCC[NH3+])[NH2+][C@@H](C)c1ccccc1OC(F)F ZINC000234741889 146017634 /nfs/dbraw/zinc/01/76/34/146017634.db2.gz CWNJWYJGTADBBK-NWDGAFQWSA-N 2 0 302.365 2.693 20 0 DFADRP COC[C@@H](CCC[NH3+])[NH2+][C@@H](C)c1ccccc1Br ZINC000234741657 146018009 /nfs/dbraw/zinc/01/80/09/146018009.db2.gz WZIWVDPYRHCEKZ-NWDGAFQWSA-N 2 0 315.255 2.854 20 0 DFADRP CCCC[C@H]([NH3+])C(=O)N1CCC[N@H+](CC2CCCCC2)CC1 ZINC000236769730 146025549 /nfs/dbraw/zinc/02/55/49/146025549.db2.gz DXUNTXRYHSLJTP-KRWDZBQOSA-N 2 0 309.498 2.619 20 0 DFADRP CCCC[C@H]([NH3+])C(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000236811086 146028418 /nfs/dbraw/zinc/02/84/18/146028418.db2.gz QIPRJNGYRPPHSZ-KBPBESRZSA-N 2 0 309.479 2.519 20 0 DFADRP CC[C@H](C)[C@H]([NH3+])C(=O)NCc1ccccc1C[NH+]1CCCCC1 ZINC000236888861 146031295 /nfs/dbraw/zinc/03/12/95/146031295.db2.gz UAHOPXGORQZKTK-YJBOKZPZSA-N 2 0 317.477 2.662 20 0 DFADRP CC[C@@H](C)[C@H]([NH3+])C(=O)NCc1ccccc1C[NH+]1CCCCC1 ZINC000236948119 146033033 /nfs/dbraw/zinc/03/30/33/146033033.db2.gz UAHOPXGORQZKTK-QAPCUYQASA-N 2 0 317.477 2.662 20 0 DFADRP C[C@@H](C[NH2+][C@H]1CCCN(Cc2ccccc2)C1)C[NH+]1CCCC1 ZINC000237445060 146044120 /nfs/dbraw/zinc/04/41/20/146044120.db2.gz AFCQBEKSEJWGIV-ICSRJNTNSA-N 2 0 315.505 2.973 20 0 DFADRP C[C@]1(C(=O)Nc2cccc(CC[NH+]3CCCC3)c2)CCC[NH2+]C1 ZINC000237623409 146049119 /nfs/dbraw/zinc/04/91/19/146049119.db2.gz RHOASLBAZWVOEW-IBGZPJMESA-N 2 0 315.461 2.653 20 0 DFADRP C[C@H](C(=O)NCc1ccc(C[NH+](C)C)cc1)[NH+]1[C@H](C)CC[C@H]1C ZINC000245204108 146063117 /nfs/dbraw/zinc/06/31/17/146063117.db2.gz YUEDSUYLLCLMNJ-BZUAXINKSA-N 2 0 317.477 2.626 20 0 DFADRP C[C@@](O)(C[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1)c1ccccc1 ZINC000245458686 146073554 /nfs/dbraw/zinc/07/35/54/146073554.db2.gz UZUZANBMSBKTQA-PKOBYXMFSA-N 2 0 302.462 2.702 20 0 DFADRP C[N@@H+]1CCC[C@H]2C[NH+](CCC(=O)OCc3ccccc3)CC[C@H]21 ZINC000245603241 146087152 /nfs/dbraw/zinc/08/71/52/146087152.db2.gz GPWJAMYXZMDWQH-ZWKOTPCHSA-N 2 0 316.445 2.536 20 0 DFADRP CN(CC[C@H]1CCC[N@@H+]1C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000245622109 146087953 /nfs/dbraw/zinc/08/79/53/146087953.db2.gz OAQYKTSYCAFKEK-WOJBJXKFSA-N 2 0 315.505 2.925 20 0 DFADRP CC[N@@H+]1CC[C@H](C[NH2+][C@H](C)c2sc(CCOC)nc2C)C1 ZINC000245622428 146088927 /nfs/dbraw/zinc/08/89/27/146088927.db2.gz RQYJVYBRSQEGGZ-TZMCWYRMSA-N 2 0 311.495 2.633 20 0 DFADRP CC[C@H](C)C(=O)N(C)[C@H]1CCCC[C@H]1[N@H+](C)C1CCN(C)CC1 ZINC000245673428 146093177 /nfs/dbraw/zinc/09/31/77/146093177.db2.gz FIOLLGILJSCZJF-JQHSSLGASA-N 2 0 323.525 2.828 20 0 DFADRP COCC[C@@H](C)[NH2+]Cc1ccccc1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000246207969 146129737 /nfs/dbraw/zinc/12/97/37/146129737.db2.gz JWFVCQNQTMOCGQ-ZACQAIPSSA-N 2 0 320.477 2.810 20 0 DFADRP CC[N@@H+]1CC[C@H]([NH2+]CCCOCCc2ccccc2)[C@@H](C)C1 ZINC000246896649 146157810 /nfs/dbraw/zinc/15/78/10/146157810.db2.gz FRCYEXGQSSQNTE-HKUYNNGSSA-N 2 0 304.478 2.956 20 0 DFADRP C[C@H]([NH2+]CCCN1CC[N@H+](C)C[C@H]1c1ccccc1)C1CC1 ZINC000247364973 146167895 /nfs/dbraw/zinc/16/78/95/146167895.db2.gz RAQAOHCHDNQBQH-LPHOPBHVSA-N 2 0 301.478 2.753 20 0 DFADRP O[C@@H]1CC[C@H](C[NH2+][C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)C1 ZINC000249038451 146183574 /nfs/dbraw/zinc/18/35/74/146183574.db2.gz GKESKQXWQQGAHL-CENDIDJXSA-N 2 0 314.473 2.648 20 0 DFADRP C[C@@H]1C[C@H](NC[C@H]2CC[NH+](Cc3ccccc3)C2)CC[N@@H+]1C ZINC000249158048 146189299 /nfs/dbraw/zinc/18/92/99/146189299.db2.gz XQICSZKVXIJUAK-BHIYHBOVSA-N 2 0 301.478 2.581 20 0 DFADRP CC[N@@H+]1CC[C@H](NC[C@@H]2CC[NH+](Cc3ccccc3)C2)[C@@H](C)C1 ZINC000249162782 146189569 /nfs/dbraw/zinc/18/95/69/146189569.db2.gz ZNQLFWZCYAKVGK-IHPCNDPISA-N 2 0 315.505 2.828 20 0 DFADRP CC[NH+](CC)CCOCC[NH2+]C1CCN(c2ccccc2)CC1 ZINC000349720398 285923316 /nfs/dbraw/zinc/92/33/16/285923316.db2.gz LNSDNGRYOVGDJX-UHFFFAOYSA-N 2 0 319.493 2.603 20 0 DFADRP CC[N@@H+]1CC[C@H](NC[C@H](C)[NH+](C)Cc2ccccc2)[C@@H](C)C1 ZINC000252695976 146222372 /nfs/dbraw/zinc/22/23/72/146222372.db2.gz AZXZTMMQXRTYOE-LNLFQRSKSA-N 2 0 303.494 2.827 20 0 DFADRP C[N@H+](CCc1ccc(Br)cc1)C[C@@H]1CCC[NH2+]C1 ZINC000258891451 146236648 /nfs/dbraw/zinc/23/66/48/146236648.db2.gz CQFCVDMOORJGEG-CQSZACIVSA-N 2 0 311.267 2.923 20 0 DFADRP CN(C[C@H]1CCC[NH2+]C1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000261539650 146237807 /nfs/dbraw/zinc/23/78/07/146237807.db2.gz CXLNSPIIDSMLBU-OALUTQOASA-N 2 0 301.478 2.582 20 0 DFADRP C[C@H]([NH2+][C@@H]1CCC[C@@H]1C[NH3+])[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000261552925 146240132 /nfs/dbraw/zinc/24/01/32/146240132.db2.gz SBQIGKBVABRWSI-WZGPROSRSA-N 3 0 301.478 2.614 20 0 DFADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CCCN(Cc2ccccc2)C1 ZINC000261557894 146240861 /nfs/dbraw/zinc/24/08/61/146240861.db2.gz XUNGPLRXHAOUDC-OTWHNJEPSA-N 2 0 301.478 2.758 20 0 DFADRP [NH3+]C[C@H]1CCCC[C@H]1[NH2+]C1CCN(Cc2ccccc2)CC1 ZINC000261557846 146241083 /nfs/dbraw/zinc/24/10/83/146241083.db2.gz XRWHKRCEIVSMBU-IEBWSBKVSA-N 2 0 301.478 2.758 20 0 DFADRP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]C1CCN(Cc2ccccc2)CC1 ZINC000261557848 146241303 /nfs/dbraw/zinc/24/13/03/146241303.db2.gz XRWHKRCEIVSMBU-PKOBYXMFSA-N 2 0 301.478 2.758 20 0 DFADRP C[C@@H]1C[NH+](CC2CC[NH+](Cc3cccc(N)c3)CC2)C[C@@H](C)O1 ZINC000261616958 146246526 /nfs/dbraw/zinc/24/65/26/146246526.db2.gz BHKHSKZTASBMPU-HZPDHXFCSA-N 2 0 317.477 2.590 20 0 DFADRP C[C@@]1(C[NH3+])CC[N@H+](CCC(=O)Nc2cccc3ccccc32)C1 ZINC000261632534 146251038 /nfs/dbraw/zinc/25/10/38/146251038.db2.gz FMQZLYXGTGTTMO-IBGZPJMESA-N 2 0 311.429 2.839 20 0 DFADRP CC(C)c1ccc([C@@H](C)[N@@H+]2CCC[C@H](C(=O)NCC[NH3+])C2)cc1 ZINC000261671438 146256439 /nfs/dbraw/zinc/25/64/39/146256439.db2.gz HDXLSTKZHXXKOI-QAPCUYQASA-N 2 0 317.477 2.658 20 0 DFADRP C[C@@]1(C[NH3+])CCN(CC(=O)Nc2ccccc2-c2ccccc2)C1 ZINC000261678519 146257900 /nfs/dbraw/zinc/25/79/00/146257900.db2.gz JVNDWWWIBQEPII-FQEVSTJZSA-N 2 0 323.440 2.963 20 0 DFADRP c1ccc(-c2nc(CN3CCC([C@@H]4CCC[NH2+]4)CC3)no2)cc1 ZINC000261674111 146258739 /nfs/dbraw/zinc/25/87/39/146258739.db2.gz HKRTWWZFZAAWTG-INIZCTEOSA-N 2 0 312.417 2.701 20 0 DFADRP C[N@H+](Cc1cccc(N)c1)C1CCN(CCc2ccccn2)CC1 ZINC000261696924 146260569 /nfs/dbraw/zinc/26/05/69/146260569.db2.gz NOHKDCJQGSZSSH-UHFFFAOYSA-N 2 0 324.472 2.803 20 0 DFADRP [NH3+][C@@H]1CN(Cc2ccc(N3CCCC3)nc2)C[C@H]1c1ccccc1 ZINC000261697954 146262023 /nfs/dbraw/zinc/26/20/23/146262023.db2.gz LJBYZHDTHUQIIP-RBUKOAKNSA-N 2 0 322.456 2.609 20 0 DFADRP O=C(CC[NH+]1CCC([C@@H]2CCC[NH2+]2)CC1)Nc1cccc(F)c1 ZINC000261701184 146262630 /nfs/dbraw/zinc/26/26/30/146262630.db2.gz JYWIAWIIKNSPBY-KRWDZBQOSA-N 2 0 319.424 2.618 20 0 DFADRP c1cc(-c2nc(CN3CC[C@H]4C[NH2+]C[C@@H]4C3)cs2)cs1 ZINC000261710604 146263722 /nfs/dbraw/zinc/26/37/22/146263722.db2.gz JMKUIKOCEXSTNR-WCQYABFASA-N 2 0 305.472 2.913 20 0 DFADRP CN(C[C@]1(C)CC[NH2+]C1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000261732905 146267946 /nfs/dbraw/zinc/26/79/46/146267946.db2.gz HJFCOGVKBXEFAR-RBUKOAKNSA-N 2 0 301.478 2.582 20 0 DFADRP C[C@@H](C(=O)N(CC[NH+](C)C)C1CCCC1)[C@@H]([NH3+])c1ccccc1 ZINC000261754765 146270823 /nfs/dbraw/zinc/27/08/23/146270823.db2.gz PJQZZAPSAGGRLG-CRAIPNDOSA-N 2 0 317.477 2.655 20 0 DFADRP CC[NH+](CC)CCN(Cc1cccs1)C[C@]1(C)CC[NH2+]C1 ZINC000261772847 146274309 /nfs/dbraw/zinc/27/43/09/146274309.db2.gz MWSKDOJVRBMKGI-QGZVFWFLSA-N 2 0 309.523 2.892 20 0 DFADRP CC[NH+](CC)CCN(Cc1cccs1)C[C@@]1(C)CC[NH2+]C1 ZINC000261772845 146275217 /nfs/dbraw/zinc/27/52/17/146275217.db2.gz MWSKDOJVRBMKGI-KRWDZBQOSA-N 2 0 309.523 2.892 20 0 DFADRP [NH3+]C[C@@H]1CCCC[C@H]1Nc1ncnc2c1cnn2-c1ccccc1 ZINC000261791622 146277653 /nfs/dbraw/zinc/27/76/53/146277653.db2.gz YZFBEUXFIBWOAA-XJKSGUPXSA-N 2 0 322.416 2.745 20 0 DFADRP [NH3+][C@@H]1CCC[C@H]2C[N@H+](Cc3c[nH]nc3-c3ccsc3)C[C@H]21 ZINC000261797755 146279025 /nfs/dbraw/zinc/27/90/25/146279025.db2.gz GRPWJEHTYYKEAC-NILFDRSVSA-N 2 0 302.447 2.697 20 0 DFADRP Cc1ccc(C[N@H+]2CCC[C@H]([C@@H](C)[NH3+])C2)c(-c2ccnn2C)c1 ZINC000261811301 146280260 /nfs/dbraw/zinc/28/02/60/146280260.db2.gz HQJODULEHMZSCD-CVEARBPZSA-N 2 0 312.461 2.955 20 0 DFADRP C[C@@]1(C[NH3+])CC[N@H+](Cc2ccc(OCc3ccccn3)cc2)C1 ZINC000261819402 146282723 /nfs/dbraw/zinc/28/27/23/146282723.db2.gz XQXJZXNLANSXMR-IBGZPJMESA-N 2 0 311.429 2.831 20 0 DFADRP Cn1cc(-c2ccc(C[N@@H+]3C[C@@H]4CCC[C@H]([NH3+])[C@H]4C3)s2)cn1 ZINC000261825360 146283406 /nfs/dbraw/zinc/28/34/06/146283406.db2.gz IRBOFPDDHKSCKN-RCBQFDQVSA-N 2 0 316.474 2.708 20 0 DFADRP Cc1cc2cc(C[N@@H+]3CC[C@@H](N4CC[NH2+]CC4)C3)oc2cc1C ZINC000261827821 146284121 /nfs/dbraw/zinc/28/41/21/146284121.db2.gz AAWQNURWHOQJBN-QGZVFWFLSA-N 2 0 313.445 2.529 20 0 DFADRP c1ccc(C2(C[NH2+][C@@H]3CCC[C@H]3[C@@H]3COCCN3)CCC2)cc1 ZINC000261862344 146290140 /nfs/dbraw/zinc/29/01/40/146290140.db2.gz CEYGRSOGSROVJP-QRVBRYPASA-N 2 0 314.473 2.855 20 0 DFADRP C[C@]1(C[NH+]2CCC([C@H](O)c3ccc(F)cc3)CC2)CC[NH2+]C1 ZINC000261871920 146292137 /nfs/dbraw/zinc/29/21/37/146292137.db2.gz PAAQYJXEZUCUBO-MSOLQXFVSA-N 2 0 306.425 2.571 20 0 DFADRP COc1ccc([C@@H]2CCC[N@@H+]2C[C@]2(C)CC[NH2+]C2)cc1OC ZINC000261893622 146296279 /nfs/dbraw/zinc/29/62/79/146296279.db2.gz UMNQNOBUWZBHCC-MAUKXSAKSA-N 2 0 304.434 2.840 20 0 DFADRP Fc1ccc2c(c1)CCN2C1CC[NH+](CC2CC[NH2+]CC2)CC1 ZINC000261910801 146300503 /nfs/dbraw/zinc/30/05/03/146300503.db2.gz ZTDUTBRQSIATOR-UHFFFAOYSA-N 2 0 317.452 2.652 20 0 DFADRP c1csc(-c2n[nH]cc2C[N@@H+]2CCC3(C2)CC[NH2+]CC3)c1 ZINC000261925626 146302896 /nfs/dbraw/zinc/30/28/96/146302896.db2.gz CCEGZWCQZNDWOI-UHFFFAOYSA-N 2 0 302.447 2.714 20 0 DFADRP COc1cccc(C[NH+]2CCC([C@@H]3CCC[NH2+]3)CC2)c1OC ZINC000261931500 146304016 /nfs/dbraw/zinc/30/40/16/146304016.db2.gz JOEQGLCKLIINDB-INIZCTEOSA-N 2 0 304.434 2.668 20 0 DFADRP CC(C)c1nc(CC[NH2+][C@@H]2CCC[C@@H]2[C@@H]2COCCN2)cs1 ZINC000261942229 146307453 /nfs/dbraw/zinc/30/74/53/146307453.db2.gz MXSUGMJMRRZWAX-XHSDSOJGSA-N 2 0 323.506 2.556 20 0 DFADRP CC[C@H]1CN(C[C@@H]2CCC[NH2+]C2)CC[N@@H+]1Cc1ccccc1 ZINC000261954896 146308714 /nfs/dbraw/zinc/30/87/14/146308714.db2.gz OLOLVOMQUFAIRX-MOPGFXCFSA-N 2 0 301.478 2.582 20 0 DFADRP Cc1ccc(C[N@@H+]2CC[C@]3(CC[NH2+]C3)C2)c(-c2ccnn2C)c1 ZINC000261954813 146309026 /nfs/dbraw/zinc/30/90/26/146309026.db2.gz GMXASKIBZVGQPE-IBGZPJMESA-N 2 0 310.445 2.581 20 0 DFADRP C[C@]1(C[N@@H+]2CCC[C@H](OCc3ccccc3F)C2)CC[NH2+]C1 ZINC000261960240 146310138 /nfs/dbraw/zinc/31/01/38/146310138.db2.gz HEONNUNMQCFNCO-WMZOPIPTSA-N 2 0 306.425 2.806 20 0 DFADRP CC[N@H+](CCC1CC[NH+](C[C@H]2CCC[NH2+]C2)CC1)CC1CC1 ZINC000261976436 146313855 /nfs/dbraw/zinc/31/38/55/146313855.db2.gz QVHQYIMVMYJOLN-IBGZPJMESA-N 2 0 307.526 2.820 20 0 DFADRP Cc1nc2ccccc2n1C1CC[NH+](C[C@]2(C)CC[NH2+]C2)CC1 ZINC000261981754 146315224 /nfs/dbraw/zinc/31/52/24/146315224.db2.gz JGEXIUKVCDQVLA-LJQANCHMSA-N 2 0 312.461 2.981 20 0 DFADRP C[NH2+]CCC1CC[NH+]([C@H]2CCCN(c3ccccc3)C2=O)CC1 ZINC000261990263 146316727 /nfs/dbraw/zinc/31/67/27/146316727.db2.gz LPZTZEMYPMKYEU-SFHVURJKSA-N 2 0 315.461 2.504 20 0 DFADRP Clc1ccc2nc(C[N@@H+]3CCC4(C3)CC[NH2+]CC4)cn2c1 ZINC000261991730 146318041 /nfs/dbraw/zinc/31/80/41/146318041.db2.gz KJLBRUZPHZDIDQ-UHFFFAOYSA-N 2 0 304.825 2.563 20 0 DFADRP Cn1cc(-c2ccc(C[N@@H+]3CCC[C@H](CC[NH3+])C3)s2)cn1 ZINC000262007886 146321503 /nfs/dbraw/zinc/32/15/03/146321503.db2.gz UUINDGRBFXHFIG-CYBMUJFWSA-N 2 0 304.463 2.709 20 0 DFADRP C[NH2+]CCC1CC[NH+]([C@H](C)C(=O)Nc2ccc(C)cc2C)CC1 ZINC000262004473 146321505 /nfs/dbraw/zinc/32/15/05/146321505.db2.gz QZDTXVKPRNGIAG-MRXNPFEDSA-N 2 0 317.477 2.952 20 0 DFADRP CCC[C@@](C)([NH3+])C(=O)NCC1([NH+]2CCCCC2)CCCCC1 ZINC000262036573 146326231 /nfs/dbraw/zinc/32/62/31/146326231.db2.gz ZTCQJPYKISODOO-QGZVFWFLSA-N 2 0 309.498 2.809 20 0 DFADRP c1ccc(-c2cccc(C[N@@H+]3CC[C@@H](N4CC[NH2+]CC4)C3)c2)cc1 ZINC000262082822 146331340 /nfs/dbraw/zinc/33/13/40/146331340.db2.gz FNFPXHMLIZBOGI-OAQYLSRUSA-N 2 0 321.468 2.833 20 0 DFADRP c1ccc(-c2cccc(C[N@@H+]3CC[C@H](N4CC[NH2+]CC4)C3)c2)cc1 ZINC000262082819 146331374 /nfs/dbraw/zinc/33/13/74/146331374.db2.gz FNFPXHMLIZBOGI-NRFANRHFSA-N 2 0 321.468 2.833 20 0 DFADRP CCC[N@H+](CC)Cc1ccc(C(=O)N2CC[C@@](C)(C[NH3+])C2)cc1 ZINC000262090069 146331770 /nfs/dbraw/zinc/33/17/70/146331770.db2.gz UHSKZYOBDDPAFE-IBGZPJMESA-N 2 0 317.477 2.729 20 0 DFADRP [NH3+]C[C@@H]1C[N@H+](CCC(=O)Nc2ccccc2)C[C@H]1c1ccccc1 ZINC000262261200 146347107 /nfs/dbraw/zinc/34/71/07/146347107.db2.gz RFMRGHWXQRYEAL-MJGOQNOKSA-N 2 0 323.440 2.690 20 0 DFADRP [NH3+]C[C@@H]1CCCC[C@@H]1NC[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000262351910 146353808 /nfs/dbraw/zinc/35/38/08/146353808.db2.gz VIDXLGRZHRZKSM-FHWLQOOXSA-N 2 0 301.478 2.931 20 0 DFADRP CCc1ccc(NC(=O)[C@@H](C)[NH+]2CCC(C[NH+](C)C)CC2)cc1 ZINC000354404818 147025525 /nfs/dbraw/zinc/02/55/25/147025525.db2.gz JMAOGQITYRXEBS-OAHLLOKOSA-N 2 0 317.477 2.850 20 0 DFADRP Cc1cnc(C[N@H+](C)CC2CCN(c3cc[nH+]cc3)CC2)nc1 ZINC000354855027 147178969 /nfs/dbraw/zinc/17/89/69/147178969.db2.gz DXMDCFJEQJFZNQ-UHFFFAOYSA-N 2 0 311.433 2.528 20 0 DFADRP COc1ccc(C[N@@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@H]32)cc1C ZINC000355217467 147226443 /nfs/dbraw/zinc/22/64/43/147226443.db2.gz HFOFWSAQVBRIME-YQVWRLOYSA-N 2 0 318.461 2.687 20 0 DFADRP CC[NH+](CC)[C@H](C)CN[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000355284043 147252325 /nfs/dbraw/zinc/25/23/25/147252325.db2.gz RBROFIBRQJZQBK-ZHALLVOQSA-N 2 0 303.494 2.969 20 0 DFADRP Cc1ccc([C@H](CNC(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)[NH+](C)C)cc1 ZINC000355410015 147305453 /nfs/dbraw/zinc/30/54/53/147305453.db2.gz NSGIPTZSGGFIIN-BQFCYCMXSA-N 2 0 317.477 2.587 20 0 DFADRP C[C@H]1CCC[C@H]([NH+]2CCC(NCC[N@H+]3CC=CCC3)CC2)C1 ZINC000355510083 147342077 /nfs/dbraw/zinc/34/20/77/147342077.db2.gz HLKFWRGJEADRFR-HKUYNNGSSA-N 2 0 305.510 2.881 20 0 DFADRP C[C@@H]1CCC[C@@H]([NH+]2CCC(NCC[N@H+]3CC=CCC3)CC2)C1 ZINC000355510092 147343499 /nfs/dbraw/zinc/34/34/99/147343499.db2.gz HLKFWRGJEADRFR-IEBWSBKVSA-N 2 0 305.510 2.881 20 0 DFADRP [NH3+][C@H]1C[C@H]([NH2+]CCNc2ccc3ccccc3n2)c2ccccc21 ZINC000576744523 543454120 /nfs/dbraw/zinc/45/41/20/543454120.db2.gz PSQBIYXCRVPRCT-HKUYNNGSSA-N 2 0 318.424 3.381 20 0 DFADRP C[NH+](C)CC1CC[NH+](Cc2cccc3c2OCCCO3)CC1 ZINC000350145911 286010604 /nfs/dbraw/zinc/01/06/04/286010604.db2.gz JYISKDUJPANDSG-UHFFFAOYSA-N 2 0 304.434 2.622 20 0 DFADRP CCC(C)(C)[NH2+][C@@H](C)C(=O)NC[C@H]1CCCC[N@@H+]1CC(C)C ZINC000357629167 148063837 /nfs/dbraw/zinc/06/38/37/148063837.db2.gz DLHCAKAKZWVCEQ-JKSUJKDBSA-N 2 0 311.514 2.780 20 0 DFADRP CC[NH+](CC)CCO[C@H]1CC[N@H+](CCOc2ccccc2F)C1 ZINC000350181949 286016411 /nfs/dbraw/zinc/01/64/11/286016411.db2.gz UYOJREVKRZASSM-INIZCTEOSA-N 2 0 324.440 2.637 20 0 DFADRP COC[C@H](Cc1ccccc1)[NH2+]CC(C)(C)C[NH+]1CCCC1 ZINC000357856711 148152142 /nfs/dbraw/zinc/15/21/42/148152142.db2.gz SXXJVCLMWGVPDP-SFHVURJKSA-N 2 0 304.478 2.956 20 0 DFADRP C[C@@H]1CCC[C@H]([NH+]2CCC([NH2+]C3CCC(C(N)=O)CC3)CC2)C1 ZINC000358185307 148276014 /nfs/dbraw/zinc/27/60/14/148276014.db2.gz YHKLISFTWMQEJC-IDMDMSBLSA-N 2 0 321.509 2.663 20 0 DFADRP COc1cccc(COCC[NH2+][C@@H]2C[C@@H](C)[N@H+](C)C[C@@H]2C)c1 ZINC000358221577 148290750 /nfs/dbraw/zinc/29/07/50/148290750.db2.gz GYKHDYOKWPZLTJ-HDMKZQKVSA-N 2 0 306.450 2.530 20 0 DFADRP Cc1cc2cc([C@H](C)NC[C@]3(O)CC[N@H+](C)C3)oc2cc1C ZINC000358257027 148308142 /nfs/dbraw/zinc/30/81/42/148308142.db2.gz SVNXPLHGUWWVPE-KBXCAEBGSA-N 2 0 302.418 2.767 20 0 DFADRP CC[NH+](CC)CCO[C@H]1CC[N@H+](CCc2ccc(OC)cc2)C1 ZINC000350364899 286032331 /nfs/dbraw/zinc/03/23/31/286032331.db2.gz KAVSUOQSICJJOO-IBGZPJMESA-N 2 0 320.477 2.670 20 0 DFADRP Cc1cnc(CC[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)nc1 ZINC000358351030 148338247 /nfs/dbraw/zinc/33/82/47/148338247.db2.gz HBHRBJYGCLIXPO-PKOBYXMFSA-N 2 0 324.472 2.828 20 0 DFADRP C[C@H](C(=O)Nc1cccc(Cl)c1)[N@@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000358503803 148380377 /nfs/dbraw/zinc/38/03/77/148380377.db2.gz FQHOLWUPPYTVJH-CYBMUJFWSA-N 2 0 321.852 2.743 20 0 DFADRP Cc1ccc(Cl)cc1NC(=O)C[N@@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000358519821 148381901 /nfs/dbraw/zinc/38/19/01/148381901.db2.gz TVKBBOQWUXCBCQ-UHFFFAOYSA-N 2 0 321.852 2.662 20 0 DFADRP C[C@@H](C[NH2+][C@@H](C)CCCC(F)(F)F)CN1CC[NH+](C)CC1 ZINC000359662334 148720451 /nfs/dbraw/zinc/72/04/51/148720451.db2.gz JQKTVZOKNNSELL-KBPBESRZSA-N 2 0 309.420 2.581 20 0 DFADRP CC[NH+](CC)CCC[C@H](C)[NH2+]Cc1cn(C)nc1C(F)F ZINC000360984964 149000148 /nfs/dbraw/zinc/00/01/48/149000148.db2.gz SSYNQZUMGBGECX-LBPRGKRZSA-N 2 0 302.413 2.958 20 0 DFADRP Fc1ccccc1N1CC[C@H](C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)C1 ZINC000361009706 149007102 /nfs/dbraw/zinc/00/71/02/149007102.db2.gz MHEQKKFHDQGOLT-IKGGRYGDSA-N 2 0 317.452 2.868 20 0 DFADRP COC(=O)c1ccc(Cl)c(C[NH2+]CC2(C)CC[NH+](C)CC2)c1 ZINC000361022381 149009860 /nfs/dbraw/zinc/00/98/60/149009860.db2.gz FTQYOFQYVQDTKB-UHFFFAOYSA-N 2 0 324.852 2.948 20 0 DFADRP COCCOc1ccc([C@@H](C)[NH2+][C@H]2CCN(C3CC3)C2)cc1 ZINC000361067272 149021888 /nfs/dbraw/zinc/02/18/88/149021888.db2.gz HPPWJVGAOJEDDZ-ZBFHGGJFSA-N 2 0 304.434 2.599 20 0 DFADRP CCc1ccc([C@H](C)[NH2+]CCC[N@@H+]2CCC[C@@H](C(N)=O)C2)s1 ZINC000361173477 149045946 /nfs/dbraw/zinc/04/59/46/149045946.db2.gz IACURVPHXYZXBY-UONOGXRCSA-N 2 0 323.506 2.549 20 0 DFADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@](C)(O)C1CC1 ZINC000361347214 149091357 /nfs/dbraw/zinc/09/13/57/149091357.db2.gz TXMIINUZHVVKBE-MNEFBYGVSA-N 2 0 302.462 2.648 20 0 DFADRP C[C@H](N[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)c1ncnn1C ZINC000361456617 149119217 /nfs/dbraw/zinc/11/92/17/149119217.db2.gz LWUSGJAWWUOMBV-VYDXJSESSA-N 2 0 313.449 2.519 20 0 DFADRP CCOc1cc(CCC[NH2+][C@@H]2CC[N@H+](C)C[C@H]2C)ccc1OC ZINC000361532024 149140624 /nfs/dbraw/zinc/14/06/24/149140624.db2.gz VJCZKXFGLDFVQN-NVXWUHKLSA-N 2 0 320.477 2.956 20 0 DFADRP [NH2+]=C(NC[C@H]1CCC[N@H+](Cc2ccccc2)C1)Nc1ccccn1 ZINC000361803756 149224064 /nfs/dbraw/zinc/22/40/64/149224064.db2.gz LPAURJZVWBNRMZ-QGZVFWFLSA-N 2 0 323.444 2.930 20 0 DFADRP CC[C@H](C[C@H](C)CO)[NH2+][C@@H]1CN(Cc2ccccc2)C[C@@H]1C ZINC000361813885 149226538 /nfs/dbraw/zinc/22/65/38/149226538.db2.gz PPPJVMVPKUZGHS-RNIPGJKVSA-N 2 0 304.478 2.894 20 0 DFADRP CC[C@H](C[C@H](C)CO)[NH2+][C@@H]1CN(Cc2ccccc2)C[C@H]1C ZINC000361813884 149226716 /nfs/dbraw/zinc/22/67/16/149226716.db2.gz PPPJVMVPKUZGHS-QFHJOOASSA-N 2 0 304.478 2.894 20 0 DFADRP CC(C)[N@@H+]1CCC[C@@H](CNC(=O)c2ccccc2C[NH+](C)C)C1 ZINC000362681459 149341544 /nfs/dbraw/zinc/34/15/44/149341544.db2.gz POAASIAHSQYTRV-INIZCTEOSA-N 2 0 317.477 2.598 20 0 DFADRP CCCC[N@H+](C)CC1CCN(C(=O)CC2CC[NH+](C)CC2)CC1 ZINC000362764069 149360762 /nfs/dbraw/zinc/36/07/62/149360762.db2.gz YTEOLCQZMZNUNM-UHFFFAOYSA-N 2 0 323.525 2.689 20 0 DFADRP C[N@@H+]1CCCC[C@@H]1CCC(=O)N1CCC[NH+](CC2CCC2)CC1 ZINC000351051078 286106487 /nfs/dbraw/zinc/10/64/87/286106487.db2.gz DHUVUOCWCGKETJ-GOSISDBHSA-N 2 0 321.509 2.585 20 0 DFADRP C[N@@H+]1CCCC[C@H]1CC[NH+]1CCC(OC[C@H]2CCCCO2)CC1 ZINC000351336754 286121890 /nfs/dbraw/zinc/12/18/90/286121890.db2.gz ZYFTUWJKBKCEMA-PKOBYXMFSA-N 2 0 324.509 2.911 20 0 DFADRP [NH3+][C@@H]1CC[C@@H]2C[N@H+](Cc3cccc(OCC(F)(F)F)c3)C[C@@H]12 ZINC000351472248 286128615 /nfs/dbraw/zinc/12/86/15/286128615.db2.gz AHTUXBPBOLYIDR-BPLDGKMQSA-N 2 0 314.351 2.797 20 0 DFADRP [NH3+][C@@H]1CC[C@H]2C[N@H+](Cc3ccc(OCc4ccncc4)cc3)C[C@@H]12 ZINC000351472897 286128825 /nfs/dbraw/zinc/12/88/25/286128825.db2.gz BSZYQOKCXGUDMX-DFQSSKMNSA-N 2 0 323.440 2.830 20 0 DFADRP [NH3+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccc(OCc4ccccn4)cc3)C[C@@H]12 ZINC000351472617 286128961 /nfs/dbraw/zinc/12/89/61/286128961.db2.gz BERNSEDTYUPQIG-NSISKUIASA-N 2 0 323.440 2.830 20 0 DFADRP [NH3+][C@@H]1CC[C@H]2C[N@H+](CCOc3ccc(C(F)(F)F)cc3)C[C@@H]12 ZINC000351482073 286131571 /nfs/dbraw/zinc/13/15/71/286131571.db2.gz YOLREOCMDOQHMQ-NILFDRSVSA-N 2 0 314.351 2.753 20 0 DFADRP CC[NH+]1CCN([C@@H]2CC[N@H+](Cc3cc(C)cc(Cl)c3)C2)CC1 ZINC000351446555 286126881 /nfs/dbraw/zinc/12/68/81/286126881.db2.gz ASLFGPLVULTLOF-GOSISDBHSA-N 2 0 321.896 2.860 20 0 DFADRP CC[C@@H]([NH2+][C@@H]1CCN(C2CC[NH+](C)CC2)C1)c1cccs1 ZINC000370633501 149958623 /nfs/dbraw/zinc/95/86/23/149958623.db2.gz HHQRNGNBQPBDIN-GDBMZVCRSA-N 2 0 307.507 2.957 20 0 DFADRP O[C@@H](Cc1ccccc1)C[N@@H+]1CCC[C@H](C[NH+]2CCCCC2)C1 ZINC000371196060 150000873 /nfs/dbraw/zinc/00/08/73/150000873.db2.gz BPOKYCBBLWLROF-UXHICEINSA-N 2 0 316.489 2.788 20 0 DFADRP Cc1ccc(C[N@H+]2CC[C@@H](N3CC[NH+](C(C)C)CC3)C2)cc1C ZINC000371331554 150025431 /nfs/dbraw/zinc/02/54/31/150025431.db2.gz IXHKYWNGBKVJSD-HXUWFJFHSA-N 2 0 315.505 2.904 20 0 DFADRP Cc1cc(C[N@H+]2CC[C@H](N3CC[NH+](C(C)C)CC3)C2)ccc1F ZINC000371337128 150026923 /nfs/dbraw/zinc/02/69/23/150026923.db2.gz SHTYVQLTBZWFHB-SFHVURJKSA-N 2 0 319.468 2.734 20 0 DFADRP Cc1cc[nH+]c(NC[C@@H]2CC[N@H+](Cc3nc(C)ccc3O)C2)c1 ZINC000371376452 150034411 /nfs/dbraw/zinc/03/44/11/150034411.db2.gz YNRLCKHIEUVXNG-HNNXBMFYSA-N 2 0 312.417 2.733 20 0 DFADRP Cc1ncc(CN2CC[C@H]3CC[N@@H+](C)[C@H]3C2)n1-c1ccccc1 ZINC000371541302 150062674 /nfs/dbraw/zinc/06/26/74/150062674.db2.gz AEBYPQWFVCGVEL-APWZRJJASA-N 2 0 310.445 2.707 20 0 DFADRP CC(C)[N@@H+]1CCC[C@H](C[NH2+]C2CCN(c3nccs3)CC2)C1 ZINC000371569944 150066790 /nfs/dbraw/zinc/06/67/90/150066790.db2.gz CKCDPWZIZHUFTD-OAHLLOKOSA-N 2 0 322.522 2.822 20 0 DFADRP CC(C)[NH+](CCSCC[N@H+]1C[C@H]2CC[C@@H](C1)O2)C(C)C ZINC000371623903 150072975 /nfs/dbraw/zinc/07/29/75/150072975.db2.gz GBSVCHKQWFIXSV-IYBDPMFKSA-N 2 0 300.512 2.702 20 0 DFADRP CCc1oc(C(=O)OC)cc1CN1CCC2(CCC[N@@H+]2C)CC1 ZINC000371690493 150081410 /nfs/dbraw/zinc/08/14/10/150081410.db2.gz XOZYSWQYWTXPGQ-UHFFFAOYSA-N 2 0 320.433 2.689 20 0 DFADRP CN1CC[NH+](CC2(C)CC[NH+](C[C@H]3CC=CCC3)CC2)CC1 ZINC000371869238 150106278 /nfs/dbraw/zinc/10/62/78/150106278.db2.gz FKLLJJQHLRWUHE-SFHVURJKSA-N 2 0 305.510 2.692 20 0 DFADRP C[C@@H]1C[N@H+](C[C@H]2CCCO2)CC[C@@H]1[NH2+]CCc1cccc(F)c1 ZINC000371985127 150120636 /nfs/dbraw/zinc/12/06/36/150120636.db2.gz QRDKDVIXYRJIPM-LZQZEXGQSA-N 2 0 320.452 2.847 20 0 DFADRP C[C@@H]1C[C@@H](NC[C@@H]2CCC[NH+]2CCc2ccccc2)CC[N@@H+]1C ZINC000372060085 150131123 /nfs/dbraw/zinc/13/11/23/150131123.db2.gz OUIVEBJLMIKVFL-HOJAQTOUSA-N 2 0 315.505 2.766 20 0 DFADRP C[N@H+](CCN1CCC[C@H]1[C@H]1CCC[NH+]1C)Cc1ccc(F)cc1 ZINC000372357554 150166622 /nfs/dbraw/zinc/16/66/22/150166622.db2.gz PTJHYSLTDGBHSL-MOPGFXCFSA-N 2 0 319.468 2.816 20 0 DFADRP Cc1cc[nH+]c(NC[C@@H]2CC[N@H+](Cc3ccc(F)nc3)C2)c1 ZINC000372423316 150170431 /nfs/dbraw/zinc/17/04/31/150170431.db2.gz XAFDJROUBLKYRB-HNNXBMFYSA-N 2 0 300.381 2.858 20 0 DFADRP C[N@@H+]1CCC[C@@H]1CCN1CCC[NH+](Cc2ccccc2F)CC1 ZINC000372427585 150170937 /nfs/dbraw/zinc/17/09/37/150170937.db2.gz HDXUYSSJGHHLPL-GOSISDBHSA-N 2 0 319.468 2.818 20 0 DFADRP C[C@@H](c1cnccn1)[NH+]1CCC(C[NH+]2CCC(C)CC2)CC1 ZINC000372512055 150178080 /nfs/dbraw/zinc/17/80/80/150178080.db2.gz JVQMKRHRNBRRIR-INIZCTEOSA-N 2 0 302.466 2.982 20 0 DFADRP C[C@H](CC[NH+]1CCN([C@H]2CCC[N@H+](C)C2)CC1)c1ccccc1 ZINC000373912656 150277254 /nfs/dbraw/zinc/27/72/54/150277254.db2.gz QMEKZUMRJYOCAL-QUCCMNQESA-N 2 0 315.505 2.892 20 0 DFADRP C[N@H+](C[C@@H]1CC12CCN(CC[NH+]1CCCCC1)CC2)C1CC1 ZINC000374289321 150336014 /nfs/dbraw/zinc/33/60/14/150336014.db2.gz UAFMLEXEFVHWIW-KRWDZBQOSA-N 2 0 305.510 2.669 20 0 DFADRP C[N@H+](C[C@H]1CC12CCN(CC[NH+]1CCCCC1)CC2)C1CC1 ZINC000374289323 150336180 /nfs/dbraw/zinc/33/61/80/150336180.db2.gz UAFMLEXEFVHWIW-QGZVFWFLSA-N 2 0 305.510 2.669 20 0 DFADRP c1cncc([C@H]2CCC[C@@H]([NH2+]CCCC[NH+]3CCOCC3)C2)c1 ZINC000374304379 150341486 /nfs/dbraw/zinc/34/14/86/150341486.db2.gz YKMROYQMOGLSLH-PKOBYXMFSA-N 2 0 317.477 2.810 20 0 DFADRP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@@H+]2CCCc1ccccc1 ZINC000374418688 150364195 /nfs/dbraw/zinc/36/41/95/150364195.db2.gz FEABBONCHDAYOS-GUDVDZBRSA-N 2 0 302.462 2.803 20 0 DFADRP CCN(CCC[NH+](CC)CC)C(=O)c1cccc(C[NH+](C)C)c1 ZINC000351809869 286223861 /nfs/dbraw/zinc/22/38/61/286223861.db2.gz NHDIMRATGGQBDX-UHFFFAOYSA-N 2 0 319.493 2.942 20 0 DFADRP C[C@@H]([NH3+])[C@@H]1CC[N@H+](CCOc2ccc(OC(F)(F)F)cc2)C1 ZINC000351862786 286233979 /nfs/dbraw/zinc/23/39/79/286233979.db2.gz QOHSWLBWQQXNEN-VXGBXAGGSA-N 2 0 318.339 2.633 20 0 DFADRP C[C@H]([NH3+])[C@H]1CC[N@H+](CCOc2ccc(OC(F)(F)F)cc2)C1 ZINC000351862785 286233995 /nfs/dbraw/zinc/23/39/95/286233995.db2.gz QOHSWLBWQQXNEN-RYUDHWBXSA-N 2 0 318.339 2.633 20 0 DFADRP Cn1nccc1-c1ccccc1C[NH2+]CC(C)(C)C[NH+](C)C ZINC000352013473 286269760 /nfs/dbraw/zinc/26/97/60/286269760.db2.gz JASQFJCNQZJPPO-UHFFFAOYSA-N 2 0 300.450 2.765 20 0 DFADRP CCC[C@@H]([NH2+]C(C)C)C(=O)NC[C@H](c1cccc(F)c1)[NH+](C)C ZINC000352142645 286303253 /nfs/dbraw/zinc/30/32/53/286303253.db2.gz VXMAIXQKAVITCD-IAGOWNOFSA-N 2 0 323.456 2.711 20 0 DFADRP CCC[C@@H]([NH2+]C(C)C)C(=O)N[C@H](C)C[N@H+](C)Cc1ccccc1 ZINC000352349921 286350026 /nfs/dbraw/zinc/35/00/26/286350026.db2.gz IIZIQDMFUUGKNH-SJLPKXTDSA-N 2 0 319.493 2.790 20 0 DFADRP FC(F)Cn1cc(C[NH2+]CCCCC[NH+]2CCCCC2)cn1 ZINC000352394124 286362562 /nfs/dbraw/zinc/36/25/62/286362562.db2.gz IZSPWDVJQNLMEK-UHFFFAOYSA-N 2 0 314.424 2.894 20 0 DFADRP CCO[C@@H]1C[C@H]([NH2+]C2CC[NH+](C(C)(C)C)CC2)[C@]12CCCO2 ZINC000361018346 286382741 /nfs/dbraw/zinc/38/27/41/286382741.db2.gz LWUSAFBYDBRYQG-LZLYRXPVSA-N 2 0 310.482 2.566 20 0 DFADRP CC[NH2+]Cc1ccccc1NC(=O)C1CC[NH+](C(C)C)CC1 ZINC000428292169 296689183 /nfs/dbraw/zinc/68/91/83/296689183.db2.gz AIOUTSXYPAPPDK-UHFFFAOYSA-N 2 0 303.450 2.855 20 0 DFADRP [NH3+]CC[C@H]1CCCC[N@@H+]1CCCc1nc(-c2ccccc2)no1 ZINC000352504849 286391514 /nfs/dbraw/zinc/39/15/14/286391514.db2.gz VKFSIURTFDNXKD-MRXNPFEDSA-N 2 0 314.433 2.873 20 0 DFADRP Cc1[nH]nc2ncc(C[N@H+](CCC[NH3+])CC3CCCC3)cc12 ZINC000352526666 286398290 /nfs/dbraw/zinc/39/82/90/286398290.db2.gz QJYZYHYHXPAXAQ-UHFFFAOYSA-N 2 0 301.438 2.607 20 0 DFADRP C[C@@H]1C[C@H](C[NH+]2CCC(C[NH+]3C[C@H](C)O[C@@H](C)C3)CC2)CCO1 ZINC000352713390 286448770 /nfs/dbraw/zinc/44/87/70/286448770.db2.gz DDRCBIPJYQQRNI-VUHPKUFZSA-N 2 0 324.509 2.623 20 0 DFADRP CCO[C@H]1C[C@@H]([NH2+]CC2(SC)CC[NH+](C)CC2)C12CCC2 ZINC000353626012 286491094 /nfs/dbraw/zinc/49/10/94/286491094.db2.gz SWSIOWMOCQKEBA-CABCVRRESA-N 2 0 312.523 2.751 20 0 DFADRP FC(F)(F)c1ccc(C[NH2+]CCCC[NH+]2CCOCC2)s1 ZINC000428846206 296718307 /nfs/dbraw/zinc/71/83/07/296718307.db2.gz PPFPUQODSZMLKC-UHFFFAOYSA-N 2 0 322.396 2.969 20 0 DFADRP Cc1cccc(C[NH+]2CCN(CC[NH+]3[C@H](C)CC[C@H]3C)CC2)c1 ZINC000352956884 286512937 /nfs/dbraw/zinc/51/29/37/286512937.db2.gz LOKGXAUBDLUOMD-RTBURBONSA-N 2 0 315.505 2.985 20 0 DFADRP CCC[C@@H]([NH2+]C(C)C)C(=O)N1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000352968311 286515654 /nfs/dbraw/zinc/51/56/54/286515654.db2.gz ORLCAOMIDOGFFG-IAGOWNOFSA-N 2 0 309.498 2.630 20 0 DFADRP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+]Cc1cnn2ccccc12 ZINC000353022541 286530944 /nfs/dbraw/zinc/53/09/44/286530944.db2.gz VWSINPKGIRPGGL-UHFFFAOYSA-N 2 0 318.384 2.513 20 0 DFADRP CSC1(C[NH2+][C@@H]2CCO[C@@H](C(C)C)C2)CC[NH+](C)CC1 ZINC000353195284 286576666 /nfs/dbraw/zinc/57/66/66/286576666.db2.gz RIKFUCKDDXLLJS-HUUCEWRRSA-N 2 0 300.512 2.607 20 0 DFADRP CC[NH+]1CCN(CCC[NH2+][C@@H](C)C2CCC(F)(F)CC2)CC1 ZINC000353227690 286584608 /nfs/dbraw/zinc/58/46/08/286584608.db2.gz BQLGGGHFWSKAMH-HNNXBMFYSA-N 2 0 317.468 2.818 20 0 DFADRP C[NH+](C)Cc1cccc(C(=O)Nc2ccc3c(c2)C[NH2+]CC3)c1 ZINC000429352611 296744699 /nfs/dbraw/zinc/74/46/99/296744699.db2.gz IWAGBGCBVBXFOS-UHFFFAOYSA-N 2 0 309.413 2.646 20 0 DFADRP CSC1(C[NH2+][C@H]2C[C@H](OC(C)C)C2(C)C)CC[NH+](C)CC1 ZINC000353624413 286658880 /nfs/dbraw/zinc/65/88/80/286658880.db2.gz QIIZWPTYXYHADP-GJZGRUSLSA-N 2 0 314.539 2.996 20 0 DFADRP COCCCCC[NH+]1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000182955337 158011594 /nfs/dbraw/zinc/01/15/94/158011594.db2.gz XTCXPOQOOUDHME-UHFFFAOYSA-N 2 0 312.498 2.628 20 0 DFADRP COCCC[NH+]1CCC([NH2+][C@H]2C[C@H](OC(C)C)C2(C)C)CC1 ZINC000185214214 158048875 /nfs/dbraw/zinc/04/88/75/158048875.db2.gz BCCJDMYXTWJFAS-IRXDYDNUSA-N 2 0 312.498 2.669 20 0 DFADRP CCO[C@@H](CC[NH+](C)C)C[NH2+][C@H]1C[C@H](OC(C)C)C1(C)C ZINC000185236162 158050014 /nfs/dbraw/zinc/05/00/14/158050014.db2.gz ALJRLPQGWQHESM-JYJNAYRXSA-N 2 0 300.487 2.525 20 0 DFADRP CC[C@@H](CO)[NH+]1CCN(c2c(C)c[nH+]c3c(C)cccc32)CC1 ZINC000185329035 158055002 /nfs/dbraw/zinc/05/50/02/158055002.db2.gz NXMMCELLYYEYRC-INIZCTEOSA-N 2 0 313.445 2.745 20 0 DFADRP CCCn1cc(CN2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cn1 ZINC000246818038 158101066 /nfs/dbraw/zinc/10/10/66/158101066.db2.gz RGPCCRXEWQWENT-WMZOPIPTSA-N 2 0 302.466 2.742 20 0 DFADRP Cc1ncsc1CC[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000246836746 158102158 /nfs/dbraw/zinc/10/21/58/158102158.db2.gz OMENHNSESDFHCT-GOEBONIOSA-N 2 0 305.491 2.943 20 0 DFADRP C[C@](O)(C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1)c1ccccc1 ZINC000246880668 158103638 /nfs/dbraw/zinc/10/36/38/158103638.db2.gz QLKMOZRRWDZCJN-VDGAXYAQSA-N 2 0 314.473 2.843 20 0 DFADRP CCC[N@H+](CC)CCN[C@H]1CC[NH+](Cc2ccccn2)C[C@H]1C ZINC000246917055 158105678 /nfs/dbraw/zinc/10/56/78/158105678.db2.gz FXZZJWYPZKKAJI-MJGOQNOKSA-N 2 0 318.509 2.614 20 0 DFADRP CC[C@H](COC)[NH2+]Cc1ccccc1C[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000247021390 158114231 /nfs/dbraw/zinc/11/42/31/158114231.db2.gz MWFCSIKDWKFKNE-TXPKVOOTSA-N 2 0 320.477 2.810 20 0 DFADRP CC[N@@H+]1CC[C@H](NCc2ccc(OCC3CC3)nc2)[C@@H](C)C1 ZINC000247068799 158118320 /nfs/dbraw/zinc/11/83/20/158118320.db2.gz QAJDRPQYVZXXAB-YOEHRIQHSA-N 2 0 303.450 2.690 20 0 DFADRP C[C@H](C(=O)N1CCC(C[NH+]2CCCC2)CC1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000247427853 158134986 /nfs/dbraw/zinc/13/49/86/158134986.db2.gz LPOJTNOMVSLQFH-IXDOHACOSA-N 2 0 321.509 2.582 20 0 DFADRP C[C@H]1CC[N@H+](CCCOCC(F)(F)F)C[C@H]1n1ccnc1 ZINC000247729705 158149769 /nfs/dbraw/zinc/14/97/69/158149769.db2.gz VBPWQDFCMCIIFP-QWHCGFSZSA-N 2 0 305.344 2.735 20 0 DFADRP CC[C@H](C)[C@H](O)C[NH2+][C@H](C)c1ccc(OCC[NH+](C)C)cc1 ZINC000247930224 158152013 /nfs/dbraw/zinc/15/20/13/158152013.db2.gz BXTLMLQNYSAWSD-HDMKZQKVSA-N 2 0 308.466 2.685 20 0 DFADRP CC[N@@H+]1CC[C@@H]([NH2+]Cc2ccccc2Cn2cccn2)[C@@H](C)C1 ZINC000248031193 158157056 /nfs/dbraw/zinc/15/70/56/158157056.db2.gz QKYBMVBSAYOLAH-QFBILLFUSA-N 2 0 312.461 2.751 20 0 DFADRP COc1ccc(OCCC[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)cc1 ZINC000248149430 158162944 /nfs/dbraw/zinc/16/29/44/158162944.db2.gz QOOKXQYMRZFHIO-QFBILLFUSA-N 2 0 318.461 2.880 20 0 DFADRP C[N@@H+]1CCC[C@@H]2CN(Cc3nc4cc(F)ccc4o3)CC[C@H]21 ZINC000248185223 158164055 /nfs/dbraw/zinc/16/40/55/158164055.db2.gz XFLMNYZMKLJRFV-IUODEOHRSA-N 2 0 303.381 2.883 20 0 DFADRP C[C@@H]1C[C@@H](NC[C@H]2CCC[NH+]2Cc2ccccc2)CC[N@@H+]1C ZINC000248198532 158164585 /nfs/dbraw/zinc/16/45/85/158164585.db2.gz XVZXXVMGTVPMBD-NZSAHSFTSA-N 2 0 301.478 2.723 20 0 DFADRP c1cn(CC[NH2+][C@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)cn1 ZINC000248410563 158174025 /nfs/dbraw/zinc/17/40/25/158174025.db2.gz YDMPTQOCRNZBNN-UFYCRDLUSA-N 2 0 324.472 2.773 20 0 DFADRP C[C@@H]([NH2+]Cc1ccccc1C[N@@H+]1CCC[C@H]1CO)C1CCC1 ZINC000248461628 158177337 /nfs/dbraw/zinc/17/73/37/158177337.db2.gz XRMVLGQDEJPYAE-BEFAXECRSA-N 2 0 302.462 2.922 20 0 DFADRP O[C@@H](CCc1ccccc1)C[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000248554888 158183753 /nfs/dbraw/zinc/18/37/53/158183753.db2.gz HUNBBFRCSNMKGC-UXHICEINSA-N 2 0 316.489 2.930 20 0 DFADRP CC[C@]1(C(=O)N2CCC[C@@H](C[N@@H+]3CCCC[C@H]3C)C2)CCC[NH2+]1 ZINC000248751197 158200565 /nfs/dbraw/zinc/20/05/65/158200565.db2.gz UAHMMZUYRKDMQG-ZIFCJYIRSA-N 2 0 321.509 2.632 20 0 DFADRP CCc1cccc(F)c1C[NH2+]CCCN1CC[NH+](CC)CC1 ZINC000354589504 158234630 /nfs/dbraw/zinc/23/46/30/158234630.db2.gz YYKLEUZOMUECEY-UHFFFAOYSA-N 2 0 307.457 2.505 20 0 DFADRP C[C@H](c1ccccc1)[N@@H+]1CCN(C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000355027981 158256173 /nfs/dbraw/zinc/25/61/73/158256173.db2.gz FLYCAQNKZOBOTQ-DLBZAZTESA-N 2 0 301.478 2.848 20 0 DFADRP CC[N@H+](CCC1CC1)CC(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000355034701 158257289 /nfs/dbraw/zinc/25/72/89/158257289.db2.gz FRLYFAOXGUYGIS-GOSISDBHSA-N 2 0 317.477 2.528 20 0 DFADRP C[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]CCc2ccn(C)n2)CC1 ZINC000355059092 158263114 /nfs/dbraw/zinc/26/31/14/158263114.db2.gz GZXJMDHSGRIKDX-QAPCUYQASA-N 2 0 304.482 2.595 20 0 DFADRP C[C@@H]([NH2+]CCc1ccc(OCC[NH+](C)C)cc1)[C@H]1CCCOC1 ZINC000356870812 158317257 /nfs/dbraw/zinc/31/72/57/158317257.db2.gz OMRNPAOXSJWJTQ-AEFFLSMTSA-N 2 0 320.477 2.574 20 0 DFADRP C[N@H+](Cc1ccccc1)CC(C)(C)CN1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000357054486 158356555 /nfs/dbraw/zinc/35/65/55/158356555.db2.gz QDORGUILHSRQLK-OALUTQOASA-N 3 0 315.505 2.686 20 0 DFADRP Cc1cc(C)n(-c2ccc(C[N@@H+]3CC[C@@H]4C[NH2+]C[C@H]4C3)cc2)n1 ZINC000357086987 158363055 /nfs/dbraw/zinc/36/30/55/158363055.db2.gz RZZTZEJVWSFJCG-MSOLQXFVSA-N 2 0 310.445 2.530 20 0 DFADRP CCc1ccc(NC(=O)[C@@H](C)[N@@H+]2CCC3(C2)CC[NH2+]CC3)cc1 ZINC000358508020 158383517 /nfs/dbraw/zinc/38/35/17/158383517.db2.gz NYLVYVYJNBOQGW-OAHLLOKOSA-N 2 0 315.461 2.652 20 0 DFADRP CCC[N@H+](C)CC(=O)NC[C@@H](c1ccsc1)[NH+](CC)CC ZINC000358589782 158391403 /nfs/dbraw/zinc/39/14/03/158391403.db2.gz KVJKOOWYMKINLE-HNNXBMFYSA-N 2 0 311.495 2.589 20 0 DFADRP Cc1ccc([C@@H]([NH3+])C(=O)NCC2([NH+](C)C)CCCCCC2)cc1 ZINC000430588922 296797930 /nfs/dbraw/zinc/79/79/30/296797930.db2.gz BDIWNJVBFMABDS-QGZVFWFLSA-N 2 0 317.477 2.766 20 0 DFADRP CC(C)C[C@@H](NC(=O)C[NH+]1CCC(C[NH3+])CC1)c1ccccc1 ZINC000430616077 296800431 /nfs/dbraw/zinc/80/04/31/296800431.db2.gz FKYURNYBPZZMMS-GOSISDBHSA-N 2 0 317.477 2.561 20 0 DFADRP C[C@@H]([NH3+])C1CC[NH+](CC(=O)NCCCC2CCCCC2)CC1 ZINC000430920830 296812165 /nfs/dbraw/zinc/81/21/65/296812165.db2.gz QJZQOLKJHZJBJI-OAHLLOKOSA-N 2 0 309.498 2.522 20 0 DFADRP CCC[C@@H](NC(=O)C[NH+]1CCC([C@@H](C)[NH3+])CC1)c1ccccc1 ZINC000430937319 296813563 /nfs/dbraw/zinc/81/35/63/296813563.db2.gz AWRQROFHACHWKP-CRAIPNDOSA-N 2 0 317.477 2.703 20 0 DFADRP CCc1ccc(NC(=O)[C@H](C)[NH+]2CCC([C@H](C)[NH3+])CC2)cc1 ZINC000430944794 296814350 /nfs/dbraw/zinc/81/43/50/296814350.db2.gz OALFVLPESIZVSQ-KBPBESRZSA-N 2 0 303.450 2.635 20 0 DFADRP C[C@H]([NH3+])C1CC[NH+]([C@@H](C)c2nc(-c3ccccc3)no2)CC1 ZINC000430962790 296815707 /nfs/dbraw/zinc/81/57/07/296815707.db2.gz HUXYYCOYZZVITQ-STQMWFEESA-N 2 0 300.406 2.857 20 0 DFADRP O=C(CC[NH+]1CCC2(CC[NH2+]C2)CC1)Nc1ccccc1Cl ZINC000431042288 296819122 /nfs/dbraw/zinc/81/91/22/296819122.db2.gz FVSWAKVCYFRWLU-UHFFFAOYSA-N 2 0 321.852 2.744 20 0 DFADRP CC(C)CC[NH+]1CCC(CNC(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC000431569278 296840502 /nfs/dbraw/zinc/84/05/02/296840502.db2.gz HCMVMIGWVXXGBL-IRXDYDNUSA-N 2 0 323.525 2.734 20 0 DFADRP CC[C@@H]1CN(C[C@]2(C)CC[NH2+]C2)CC[N@@H+]1Cc1ccccc1 ZINC000261892531 287199986 /nfs/dbraw/zinc/19/99/86/287199986.db2.gz UEJLUGIUWXMUPT-RTBURBONSA-N 2 0 301.478 2.582 20 0 DFADRP C[C@H](c1ccncc1)N1CCC([NH2+]CC2=CCCOC2)CC1 ZINC000131174999 196146708 /nfs/dbraw/zinc/14/67/08/196146708.db2.gz YYXCFZDLTQGUEQ-OAHLLOKOSA-N 2 0 301.434 2.543 20 0 DFADRP CC[NH+](CC)CCC[NH2+]C1CCN(c2nc(C)cs2)CC1 ZINC000131405429 196165786 /nfs/dbraw/zinc/16/57/86/196165786.db2.gz LXWFXFQAYYDHKT-UHFFFAOYSA-N 2 0 310.511 2.742 20 0 DFADRP CC(C)[C@@H](C(=O)N1CCC[C@H](C[NH+]2CCC(C)CC2)C1)[NH+](C)C ZINC000131605655 196183345 /nfs/dbraw/zinc/18/33/45/196183345.db2.gz PGSBRMBXXDZTPM-MSOLQXFVSA-N 2 0 323.525 2.543 20 0 DFADRP C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)[C@@H]1C[C@H]2CCCC[C@H]2[NH2+]1 ZINC000246731301 287266392 /nfs/dbraw/zinc/26/63/92/287266392.db2.gz YIJLPRNYAFTYRX-TVFCKZIOSA-N 2 0 321.509 2.678 20 0 DFADRP CC(C)[C@H](C[NH2+][C@H](C)c1cccc(F)c1)N1CC[NH+](C)CC1 ZINC000132342452 196247478 /nfs/dbraw/zinc/24/74/78/196247478.db2.gz NGJBSTCOZRVQPP-QAPCUYQASA-N 2 0 307.457 2.748 20 0 DFADRP C[C@H]([NH2+]C1CCN(CC[NH+](C)C)CC1)c1ccc(F)cc1F ZINC000150960730 196609247 /nfs/dbraw/zinc/60/92/47/196609247.db2.gz XRRKMGHKRZKWJW-ZDUSSCGKSA-N 2 0 311.420 2.641 20 0 DFADRP [NH3+]Cc1ccc(NC(=O)N2CCC[N@@H+](C3CCCC3)CC2)cc1 ZINC000667818654 543686379 /nfs/dbraw/zinc/68/63/79/543686379.db2.gz WPMZYQBISPYZNI-UHFFFAOYSA-N 2 0 316.449 2.628 20 0 DFADRP C[NH2+]Cc1ccc(NC(=O)N2CCC[N@@H+](C(C)(C)C)CC2)cc1 ZINC000667843225 543690206 /nfs/dbraw/zinc/69/02/06/543690206.db2.gz GMCRYFZFPVFEMC-UHFFFAOYSA-N 2 0 318.465 2.744 20 0 DFADRP CO[C@]1(C)C[C@@H]([N@H+](C)Cc2ccnn2-c2cc[nH+]cc2)C1(C)C ZINC000667690749 543661088 /nfs/dbraw/zinc/66/10/88/543661088.db2.gz HKJHURIDQJXBAF-SJLPKXTDSA-N 2 0 314.433 2.903 20 0 DFADRP C[NH+](C)[C@@H](CNC(=O)Nc1cccc(C[NH3+])c1)c1cccs1 ZINC000667732716 543668962 /nfs/dbraw/zinc/66/89/62/543668962.db2.gz QBVSLGHOXYLQSX-AWEZNQCLSA-N 2 0 318.446 2.631 20 0 DFADRP CC[NH2+]Cc1cccc(NC(=O)N[C@H](CC)C[NH+]2CCCC2)c1 ZINC000667767217 543675585 /nfs/dbraw/zinc/67/55/85/543675585.db2.gz KJPJKBCCILKJBI-MRXNPFEDSA-N 2 0 318.465 2.792 20 0 DFADRP CC[N@@H+]1CC[C@H](C[NH2+][C@H](C)COc2ccc(CCOC)cc2)C1 ZINC000667792567 543680246 /nfs/dbraw/zinc/68/02/46/543680246.db2.gz CSOVFVJTUHGBPA-SJLPKXTDSA-N 2 0 320.477 2.574 20 0 DFADRP c1cc(C[N@@H+]2CCOC[C@H](C3CCC3)C2)n(-c2cc[nH+]cc2)n1 ZINC000668188857 543763176 /nfs/dbraw/zinc/76/31/76/543763176.db2.gz QZVXYHUXWUOBRG-MRXNPFEDSA-N 2 0 312.417 2.516 20 0 DFADRP O[C@H]1CC[N@H+](Cc2ccc(C[NH2+][C@H]3CCC[C@@H]4C[C@@H]43)cc2)C1 ZINC000668489010 543814071 /nfs/dbraw/zinc/81/40/71/543814071.db2.gz JBPZBOJLFPTPRG-XWSJACJDSA-N 2 0 300.446 2.531 20 0 DFADRP Cc1cc[nH+]c(NC2CC[NH+]([C@@H]3CCOC3)CC2)c1C1CC1 ZINC000668511108 543816678 /nfs/dbraw/zinc/81/66/78/543816678.db2.gz FJRXDCHSDCDJQC-MRXNPFEDSA-N 2 0 301.434 2.933 20 0 DFADRP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+]1CC[C@@H](C)O[C@@H](C)C1 ZINC000668626012 543838541 /nfs/dbraw/zinc/83/85/41/543838541.db2.gz MJPDAKUDTITTAA-KGLIPLIRSA-N 2 0 300.406 2.575 20 0 DFADRP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+](C)CC1=CCSC1 ZINC000668775554 543865247 /nfs/dbraw/zinc/86/52/47/543865247.db2.gz XSPSWQITRBNQND-UHFFFAOYSA-N 2 0 300.431 2.681 20 0 DFADRP C[C@H](Cc1ccccc1)C[N@@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000668784679 543866877 /nfs/dbraw/zinc/86/68/77/543866877.db2.gz HNFBHSBZEUMTIR-MJGOQNOKSA-N 2 0 304.478 2.908 20 0 DFADRP Cc1ccccc1[C@H]([NH3+])C(=O)NCCCC[N@H+]1CCC[C@@H](C)C1 ZINC000296570247 226003510 /nfs/dbraw/zinc/00/35/10/226003510.db2.gz VZFHKZHNCOIIMP-QAPCUYQASA-N 2 0 317.477 2.623 20 0 DFADRP OC[C@@H]1CC[C@H]([NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC000296587718 226024560 /nfs/dbraw/zinc/02/45/60/226024560.db2.gz UUJWOIMNUPRBFO-UJMXGEILSA-N 2 0 314.473 2.933 20 0 DFADRP C[C@@H]1CCC[C@@H](C[N@@H+]2CCC[C@@H](CN3CC[NH+](C)CC3)C2)C1 ZINC000367624902 287395065 /nfs/dbraw/zinc/39/50/65/287395065.db2.gz YNACGEAKGRYPEG-QRVBRYPASA-N 2 0 307.526 2.772 20 0 DFADRP C[NH+]1CCC(N2CC[C@@H]([NH2+]C3CCC(C(F)F)CC3)C2)CC1 ZINC000669614808 543975690 /nfs/dbraw/zinc/97/56/90/543975690.db2.gz HLKBPQPCSRLCRG-YMAMQOFZSA-N 2 0 315.452 2.568 20 0 DFADRP C[C@@H]1CCc2ccccc2[C@H]1[NH2+]CCN1CC[N@H+](C)C(C)(C)C1 ZINC000669618792 543976263 /nfs/dbraw/zinc/97/62/63/543976263.db2.gz PMTDOSAQLWKOJF-APWZRJJASA-N 2 0 315.505 2.926 20 0 DFADRP CC(C)[NH+]1CCN(CCC[N@@H+]2CC[C@H]2c2cccc(F)c2)CC1 ZINC000669690442 543984139 /nfs/dbraw/zinc/98/41/39/543984139.db2.gz PNKUROAXRLZGNO-IBGZPJMESA-N 2 0 319.468 2.989 20 0 DFADRP C[C@@H](CCCCO)[NH2+]Cc1ccc(OC2CC[NH+](C)CC2)cc1 ZINC000671302457 544066124 /nfs/dbraw/zinc/06/61/24/544066124.db2.gz AFDDRYNKVZVARF-INIZCTEOSA-N 2 0 320.477 2.800 20 0 DFADRP C[NH+](C)CCOc1ccc(C[N@@H+]2CCC[C@H]2[C@@H]2CCCO2)cc1 ZINC000671309022 544066818 /nfs/dbraw/zinc/06/68/18/544066818.db2.gz GDUPGUBRDSBKKK-OALUTQOASA-N 2 0 318.461 2.770 20 0 DFADRP c1ccc(C[N@@H+]2CC[C@@]3(CC[NH+]([C@H]4CCCOC4)C3)C2)cc1 ZINC000671723618 544102167 /nfs/dbraw/zinc/10/21/67/544102167.db2.gz PATLCQQXLIKGTR-RBUKOAKNSA-N 2 0 300.446 2.763 20 0 DFADRP Cc1cccn2cc(CC[NH2+][C@@H]3CC[N@@H+](C)[C@H]4CCC[C@@H]43)nc12 ZINC000671749731 544106626 /nfs/dbraw/zinc/10/66/26/544106626.db2.gz MLBFNGALCRPXSN-KURKYZTESA-N 2 0 312.461 2.648 20 0 DFADRP C[C@H]([NH2+][C@H](CN(C)C)c1ccc(F)cc1)C1CC[NH+](C)CC1 ZINC000672616760 544143442 /nfs/dbraw/zinc/14/34/42/544143442.db2.gz QKZYNQKFJFKKQO-KBXCAEBGSA-N 2 0 307.457 2.748 20 0 DFADRP OCC[C@H]([NH2+]C1CCN(c2cc[nH+]cc2)CC1)C1CCCCC1 ZINC000297343470 227035892 /nfs/dbraw/zinc/03/58/92/227035892.db2.gz DUBDUWOOEJMVQL-IBGZPJMESA-N 2 0 317.477 2.971 20 0 DFADRP CC[NH+](CC)Cc1ccc(C(=O)N(C)C[C@H]2CCC[N@@H+]2CC)o1 ZINC000673800768 544198741 /nfs/dbraw/zinc/19/87/41/544198741.db2.gz AEQQRHQQTJCAQS-OAHLLOKOSA-N 2 0 321.465 2.678 20 0 DFADRP COCCC[NH+]1CCC([NH2+]C2CCC(C(F)F)CC2)CC1 ZINC000442781944 297205996 /nfs/dbraw/zinc/20/59/96/297205996.db2.gz NGIKLLXCEABCOE-UHFFFAOYSA-N 2 0 304.425 2.901 20 0 DFADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)[C@H](C)C1CCCC1 ZINC000674087748 544219181 /nfs/dbraw/zinc/21/91/81/544219181.db2.gz AIUKIBXDWMCJSM-AEFFLSMTSA-N 2 0 323.525 2.687 20 0 DFADRP Cc1nc(CN2CCCN(c3cc(C)ccn3)CC2)oc1C ZINC000675286665 544298356 /nfs/dbraw/zinc/29/83/56/544298356.db2.gz CJRSIXWRCAKBFE-UHFFFAOYSA-N 2 0 300.406 2.707 20 0 DFADRP Cc1cccc([C@@H](C)[NH2+]CC(C)(C)N2CC[NH+](C)CC2)c1C ZINC000675741737 544332854 /nfs/dbraw/zinc/33/28/54/544332854.db2.gz GRVVBAHOTIGGSC-QGZVFWFLSA-N 2 0 303.494 2.980 20 0 DFADRP CCC[NH+]1CCC([NH2+]CCCOc2ccccc2OC)CC1 ZINC000675813682 544338635 /nfs/dbraw/zinc/33/86/35/544338635.db2.gz JTEIJSOCQRTZJT-UHFFFAOYSA-N 2 0 306.450 2.928 20 0 DFADRP C[C@@H]([NH2+][C@H]1CCc2nc(C(C)(C)C)cn2C1)C1CC[NH+](C)CC1 ZINC000675797158 544337165 /nfs/dbraw/zinc/33/71/65/544337165.db2.gz JICPUBOAWLLANE-ZBFHGGJFSA-N 2 0 318.509 2.815 20 0 DFADRP CC[C@H]([NH2+][C@H](C)C1CC[NH+](C)CC1)c1nnc2n1CCCCC2 ZINC000675804517 544337794 /nfs/dbraw/zinc/33/77/94/544337794.db2.gz BGGZFODUGYIPIB-ZBFHGGJFSA-N 2 0 319.497 2.776 20 0 DFADRP C[C@@H]([NH2+]C[C@H](C[C@H](C)O)c1ccccc1)C1CC[NH+](C)CC1 ZINC000675935226 544345563 /nfs/dbraw/zinc/34/55/63/544345563.db2.gz DTYULDOZSBOGOZ-FCEWJHQRSA-N 2 0 304.478 2.861 20 0 DFADRP COc1ccc2c(c1)OCC[C@@H]2[NH2+][C@H](C)C1CC[NH+](C)CC1 ZINC000675904204 544343237 /nfs/dbraw/zinc/34/32/37/544343237.db2.gz TVZRQRCXLKPTIU-DYVFJYSZSA-N 2 0 304.434 2.839 20 0 DFADRP CO[C@H]1CCC[C@@H]([NH2+]Cc2ccc(OCC[NH+](C)C)cc2)C1 ZINC000676571141 544386304 /nfs/dbraw/zinc/38/63/04/544386304.db2.gz AMIGIJKMGUNWDU-AEFFLSMTSA-N 2 0 306.450 2.674 20 0 DFADRP C[NH+](C)CCOc1ccc(C[N@H+](CCO)C2CCCCC2)cc1 ZINC000676414661 544375867 /nfs/dbraw/zinc/37/58/67/544375867.db2.gz VLRHRQFSDZQQAT-UHFFFAOYSA-N 2 0 320.477 2.754 20 0 DFADRP C[NH+]1CCN(C(C)(C)C[NH2+][C@H]2CCc3ccc(Cl)cc32)CC1 ZINC000677846708 544550708 /nfs/dbraw/zinc/55/07/08/544550708.db2.gz SYWXDDXUDTZJAG-KRWDZBQOSA-N 2 0 321.896 2.943 20 0 DFADRP Cc1cc(C)c(C[NH+]2CCN([C@H]3CCC[N@@H+](C)C3)CC2)cc1C ZINC000678258186 544634289 /nfs/dbraw/zinc/63/42/89/544634289.db2.gz WPKGTGLWDCZLCT-FQEVSTJZSA-N 2 0 315.505 2.824 20 0 DFADRP C[NH+](C)CCOc1ccc(C[N@H+](C[C@@H]2CCOC2)C2CC2)cc1 ZINC000678135926 544607625 /nfs/dbraw/zinc/60/76/25/544607625.db2.gz KHFSIDMNLYWCIT-KRWDZBQOSA-N 2 0 318.461 2.628 20 0 DFADRP C[NH+](C)CCOc1ccc(C[N@@H+]2CCC[C@H]3COCC[C@H]32)cc1 ZINC000678333596 544652635 /nfs/dbraw/zinc/65/26/35/544652635.db2.gz DRESFXLZYPSFRD-PKOBYXMFSA-N 2 0 318.461 2.628 20 0 DFADRP CC[N@@H+]1CC[C@@H](N(C)Cc2cn3cccc(F)c3n2)[C@H](C)C1 ZINC000678277241 544641830 /nfs/dbraw/zinc/64/18/30/544641830.db2.gz HBKASKBHZYWRLO-CZUORRHYSA-N 2 0 304.413 2.636 20 0 DFADRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H]2CCC[C@H](OC)C2)[C@@H](C)C1 ZINC000678603057 544700217 /nfs/dbraw/zinc/70/02/17/544700217.db2.gz IUGGCZFXYLAOHA-MHORFTMASA-N 2 0 312.498 2.671 20 0 DFADRP CC(=O)N1CC[C@H]([NH2+][C@@H](C)C2CC[NH+](C)CC2)c2ccccc21 ZINC000678607965 544702146 /nfs/dbraw/zinc/70/21/46/544702146.db2.gz BHBLJZKYWUIJMU-KSSFIOAISA-N 2 0 315.461 2.804 20 0 DFADRP CC[NH+]1CCN(CCC[NH2+][C@H]2c3ccccc3CC[C@@H]2C)CC1 ZINC000678766116 544717321 /nfs/dbraw/zinc/71/73/21/544717321.db2.gz MBSSGEXYHYQVOR-FXAWDEMLSA-N 2 0 315.505 2.927 20 0 DFADRP C[C@@H]1CCc2ccccc2[C@@H]1[NH2+]CCCN1CCC[N@H+](C)CC1 ZINC000678768615 544717751 /nfs/dbraw/zinc/71/77/51/544717751.db2.gz DHOPXEIFLXJQQV-YLJYHZDGSA-N 2 0 315.505 2.927 20 0 DFADRP CCO[C@H]1C[C@H]([NH2+]CC2(O)CC[NH+](C(C)C)CC2)C12CCCC2 ZINC000678925677 544750621 /nfs/dbraw/zinc/75/06/21/544750621.db2.gz AQBDMVLSMZCJFX-IRXDYDNUSA-N 2 0 324.509 2.549 20 0 DFADRP C[NH+](C)CCOc1ccc(C[N@H+](C)C[C@H]2CCCC[C@H]2O)cc1 ZINC000679359348 544841569 /nfs/dbraw/zinc/84/15/69/544841569.db2.gz BQUUDESOYIOEMI-IEBWSBKVSA-N 2 0 320.477 2.610 20 0 DFADRP C[NH+](C)CCOc1ccc(C[N@H+](C)C[C@@H]2CCCC[C@H]2O)cc1 ZINC000679359350 544841833 /nfs/dbraw/zinc/84/18/33/544841833.db2.gz BQUUDESOYIOEMI-PKOBYXMFSA-N 2 0 320.477 2.610 20 0 DFADRP CCOCC[N@H+](C)Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000679423153 544852341 /nfs/dbraw/zinc/85/23/41/544852341.db2.gz MWTYOEYXXYWMIA-UHFFFAOYSA-N 2 0 306.450 2.630 20 0 DFADRP C[C@@H]([NH2+][C@@H](C)C1CC[NH+](C)CC1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000679723026 544905860 /nfs/dbraw/zinc/90/58/60/544905860.db2.gz JLWALJCNRBBGTP-JZXOWHBKSA-N 2 0 307.526 2.959 20 0 DFADRP C[NH+](C)CCOC1CC[NH+](Cc2cccc3cnccc32)CC1 ZINC000679987321 544938700 /nfs/dbraw/zinc/93/87/00/544938700.db2.gz DFWUGDNPTSAEQY-UHFFFAOYSA-N 2 0 313.445 2.777 20 0 DFADRP COc1ccc2c(c1)CC[C@H]([NH2+][C@@H]1CC[N@@H+]3CCC[C@@H]3C1)C2 ZINC000680333510 544992364 /nfs/dbraw/zinc/99/23/64/544992364.db2.gz CSUGFWDWAUEKRU-RCCFBDPRSA-N 2 0 300.446 2.769 20 0 DFADRP C[C@@H]1C[N@@H+](CCCC[NH2+]Cc2ccc(F)cc2F)C[C@H](C)O1 ZINC000067452981 425910619 /nfs/dbraw/zinc/91/06/19/425910619.db2.gz MXSMDKVVEOOGEA-OKILXGFUSA-N 2 0 312.404 2.944 20 0 DFADRP C[C@@H]1C[N@@H+](CCCC[NH2+]Cc2cnn(C(C)(C)C)c2)C[C@H](C)O1 ZINC000067452594 425910650 /nfs/dbraw/zinc/91/06/50/425910650.db2.gz HOAQWUAORLWLQL-IYBDPMFKSA-N 2 0 322.497 2.617 20 0 DFADRP CC[NH+]1CCN([C@@H](C)C[NH2+][C@H](C)c2cccc(C)c2C)CC1 ZINC000155593421 425921739 /nfs/dbraw/zinc/92/17/39/425921739.db2.gz YLJQTPNOGOPDOY-FUHWJXTLSA-N 2 0 303.494 2.980 20 0 DFADRP CC[NH+]1CCN([C@@H](C)C[NH2+][C@@H]2CCc3c2cccc3C)CC1 ZINC000155586699 425922003 /nfs/dbraw/zinc/92/20/03/425922003.db2.gz PYFRMUCQJBCHBF-QFBILLFUSA-N 2 0 301.478 2.598 20 0 DFADRP CC[C@H](C(=O)NCC1([NH+]2CCCCC2)CCCCC1)[NH+](C)C ZINC000124500076 425923438 /nfs/dbraw/zinc/92/34/38/425923438.db2.gz QRGKTPQVQXWHFY-MRXNPFEDSA-N 2 0 309.498 2.632 20 0 DFADRP CCOc1ccc([C@H](C)[NH2+]C[C@H](C)N2CC[NH+](CC)CC2)cc1 ZINC000155741045 425924984 /nfs/dbraw/zinc/92/49/84/425924984.db2.gz ZMKRUYSRXFEDES-IRXDYDNUSA-N 2 0 319.493 2.762 20 0 DFADRP CCc1ccc([C@H](C)[NH2+]C[C@@H](C)N2CC[NH+](CC)CC2)s1 ZINC000155744421 425926738 /nfs/dbraw/zinc/92/67/38/425926738.db2.gz IFNDULTZXJPDMT-CABCVRRESA-N 2 0 309.523 2.987 20 0 DFADRP CC(C)N(C)CC[NH2+][C@H](C)c1cccc(OCC[NH+](C)C)c1 ZINC000155751679 425926514 /nfs/dbraw/zinc/92/65/14/425926514.db2.gz KOWGBHYYZDUFTJ-MRXNPFEDSA-N 2 0 307.482 2.618 20 0 DFADRP CCC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc(CC[NH+](C)C)cc1 ZINC000102757565 425927134 /nfs/dbraw/zinc/92/71/34/425927134.db2.gz NBVMRXFQADESPX-KRWDZBQOSA-N 2 0 303.450 2.604 20 0 DFADRP C[NH+]1CCN(C(C)(C)C[NH2+]Cc2c(F)cccc2Cl)CC1 ZINC000019981333 425792236 /nfs/dbraw/zinc/79/22/36/425792236.db2.gz OZBRQWFRPKGPEU-UHFFFAOYSA-N 2 0 313.848 2.595 20 0 DFADRP CC[NH+](CC)Cc1ccc(C(=O)NCC[N@@H+]2CCCC[C@@H]2C)o1 ZINC000046860285 425866630 /nfs/dbraw/zinc/86/66/30/425866630.db2.gz DKXNAYPLKMNTMV-HNNXBMFYSA-N 2 0 321.465 2.726 20 0 DFADRP COc1cccc2c1CC[C@H]([NH2+]C[C@H](C)C[NH+]1CCCC1)C2 ZINC000192439646 268036759 /nfs/dbraw/zinc/03/67/59/268036759.db2.gz FOHGIORUVSSXPL-RDJZCZTQSA-N 2 0 302.462 2.874 20 0 DFADRP CC[N@H+](Cc1ccc(C(=O)NC2(C)CC[NH2+]CC2)cc1)C(C)C ZINC000193387943 268067618 /nfs/dbraw/zinc/06/76/18/268067618.db2.gz AAQUUJXWGDSKHV-UHFFFAOYSA-N 2 0 317.477 2.789 20 0 DFADRP CC[NH+](CC)CCCC1CC[NH+](Cc2ccnc(N)c2)CC1 ZINC000193544338 268071793 /nfs/dbraw/zinc/07/17/93/268071793.db2.gz ZHCOVARXQMDATR-UHFFFAOYSA-N 2 0 304.482 2.998 20 0 DFADRP CC[N@H+](Cc1ccc(C(=O)NCCn2ccnc2)cc1)C(C)C ZINC000195232089 268130242 /nfs/dbraw/zinc/13/02/42/268130242.db2.gz BRKNTCJVJSRTNP-UHFFFAOYSA-N 2 0 314.433 2.543 20 0 DFADRP CCC[NH+]1CCC([NH2+]C2CC(NC(=O)OC(C)(C)C)C2)CC1 ZINC000229838130 268145691 /nfs/dbraw/zinc/14/56/91/268145691.db2.gz CNNHXANCZQKOSI-UHFFFAOYSA-N 2 0 311.470 2.506 20 0 DFADRP CC[NH+]1CCC([NH2+]CC2=CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC000230950887 268146660 /nfs/dbraw/zinc/14/66/60/268146660.db2.gz OABBGSIGEZSTQR-UHFFFAOYSA-N 2 0 323.481 2.628 20 0 DFADRP CC[NH+]1CCC(CCNC(=O)CC[C@@H]([NH3+])c2ccccc2)CC1 ZINC000236851019 268151091 /nfs/dbraw/zinc/15/10/91/268151091.db2.gz IBQSAZJYXUSKSH-GOSISDBHSA-N 2 0 317.477 2.705 20 0 DFADRP CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)C2(C[NH3+])CCCC2)C1 ZINC000236937884 268153183 /nfs/dbraw/zinc/15/31/83/268153183.db2.gz SVOQMAUDVUMZAD-OAHLLOKOSA-N 2 0 309.498 2.522 20 0 DFADRP CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)C2(C[NH3+])CCCC2)C1 ZINC000237052703 268153549 /nfs/dbraw/zinc/15/35/49/268153549.db2.gz SVOQMAUDVUMZAD-HNNXBMFYSA-N 2 0 309.498 2.522 20 0 DFADRP [NH3+][C@H]1CCC[C@H]1[NH2+]CCc1cc(Br)ccc1F ZINC000259189565 268168626 /nfs/dbraw/zinc/16/86/26/268168626.db2.gz WOBXNCKFZFOQPB-QWHCGFSZSA-N 2 0 301.203 2.600 20 0 DFADRP CC(C)Oc1ccc([C@H](O)C[NH2+][C@@H]2C[C@H](C)[N@H+](C)C[C@H]2C)cc1 ZINC000268881833 268185998 /nfs/dbraw/zinc/18/59/98/268185998.db2.gz IDJYBVONURPHSR-WTLGNFPFSA-N 2 0 320.477 2.826 20 0 DFADRP CC[NH+](CC)CC1CC[NH+](CC(=O)NC2CCCCCC2)CC1 ZINC000047973829 425872492 /nfs/dbraw/zinc/87/24/92/425872492.db2.gz OCEFZKREDKSFRQ-UHFFFAOYSA-N 2 0 323.525 2.879 20 0 DFADRP CC[C@H](C[NH2+][C@@H]1C[C@H](C)N(C2CC2)C1)NC(=O)OC(C)(C)C ZINC000300227991 268321481 /nfs/dbraw/zinc/32/14/81/268321481.db2.gz ZYNBLFMZPZTJCO-BFHYXJOUSA-N 2 0 311.470 2.505 20 0 DFADRP CC(C)[C@@H]([NH2+]CC1(N2CCCCC2)CC[NH+](C)CC1)C1CC1 ZINC000124772774 425937950 /nfs/dbraw/zinc/93/79/50/425937950.db2.gz BAATVSJNNAGAMW-GOSISDBHSA-N 2 0 307.526 2.961 20 0 DFADRP CN1CCC([N@H+](CCO)Cc2ccc(C(C)(C)C)s2)CC1 ZINC000305219043 268332240 /nfs/dbraw/zinc/33/22/40/268332240.db2.gz SKIHWDWCELQJNY-UHFFFAOYSA-N 2 0 310.507 2.934 20 0 DFADRP C[C@H]1[C@@H]([NH3+])CCN1CCC(=O)Nc1cc(Cl)ccc1Cl ZINC000312287355 268337948 /nfs/dbraw/zinc/33/79/48/268337948.db2.gz LCHQUMIAUNTWCQ-CABZTGNLSA-N 2 0 316.232 2.744 20 0 DFADRP Cc1ccc(C[NH2+]CCc2cn(C)cn2)cc1Br ZINC000313277446 268339627 /nfs/dbraw/zinc/33/96/27/268339627.db2.gz AMEVFUAEHAAOJA-UHFFFAOYSA-N 2 0 308.223 2.823 20 0 DFADRP C[C@@H](c1cccc(Br)c1)N1CCCO[C@H](C[NH3+])C1 ZINC000313343798 268339892 /nfs/dbraw/zinc/33/98/92/268339892.db2.gz ICGXYTPUYOGLIW-SMDDNHRTSA-N 2 0 313.239 2.560 20 0 DFADRP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]CCc1cccc(Br)c1 ZINC000313696316 268340122 /nfs/dbraw/zinc/34/01/22/268340122.db2.gz IJWCNTCQSSYWKH-DOMZBBRYSA-N 2 0 311.267 2.921 20 0 DFADRP c1ccc2c(c1)CCN2CCC[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000321004985 268348647 /nfs/dbraw/zinc/34/86/47/268348647.db2.gz RDXMDBFMWFKFJL-QRVBRYPASA-N 2 0 313.489 2.950 20 0 DFADRP CC(C)[C@H](C[NH2+][C@@H]1CCCC12CCCC2)N1CC[NH+](C)CC1 ZINC000328143846 268351308 /nfs/dbraw/zinc/35/13/08/268351308.db2.gz CMODZLDSWNGFAX-ZWKOTPCHSA-N 2 0 307.526 2.961 20 0 DFADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+][C@@H]1CCC(=O)N[C@H]1C(C)(C)C ZINC000333340064 268392757 /nfs/dbraw/zinc/39/27/57/268392757.db2.gz XXJAUKJHMQNUFE-JYYAWHABSA-N 2 0 309.498 2.580 20 0 DFADRP CC[C@@H](c1ccccc1)[N@@H+]1CC[C@H](N2CC[NH+](CC)CC2)C1 ZINC000107368284 425989936 /nfs/dbraw/zinc/98/99/36/425989936.db2.gz LKHAWDIIBVZRGN-OALUTQOASA-N 2 0 301.478 2.850 20 0 DFADRP C[N@H+](CCCNC(=O)[C@H](C1CC1)[NH+]1CCCC1)C1CCCCC1 ZINC000126004782 426001286 /nfs/dbraw/zinc/00/12/86/426001286.db2.gz XXYDNWPXOVCFDH-SFHVURJKSA-N 2 0 321.509 2.632 20 0 DFADRP C[C@@H]([N@H+](C)CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C)C1(C)CC1 ZINC000158867914 425949350 /nfs/dbraw/zinc/94/93/50/425949350.db2.gz LJYXDJTVCNMPSB-WBVHZDCISA-N 2 0 317.477 2.526 20 0 DFADRP CC[N@@H+]1CC[C@@H]([NH2+]C[C@@H](C)Oc2cccc(OC)c2)[C@H](C)C1 ZINC000125078798 425951865 /nfs/dbraw/zinc/95/18/65/425951865.db2.gz OUZXXSNKXXTTBD-IIDMSEBBSA-N 2 0 306.450 2.782 20 0 DFADRP c1coc(C[NH2+]CCCC[NH+]2CCN(c3ccccc3)CC2)c1 ZINC000069749895 425956791 /nfs/dbraw/zinc/95/67/91/425956791.db2.gz OIURSKAXUVUDAS-UHFFFAOYSA-N 2 0 313.445 2.972 20 0 DFADRP COC(=O)c1oc([C@H](C)N(C)C[C@@H]2CCC[N@H+](C)C2)cc1C ZINC000125211892 425958542 /nfs/dbraw/zinc/95/85/42/425958542.db2.gz WHGVVLLFMLUOSE-UONOGXRCSA-N 2 0 308.422 2.709 20 0 DFADRP CC[NH+](CC)[C@H](C(=O)NCC(C)(C)C[NH+](C)C)c1ccccc1 ZINC000104823616 425965180 /nfs/dbraw/zinc/96/51/80/425965180.db2.gz PXQRKEUAUMGDOH-KRWDZBQOSA-N 2 0 319.493 2.774 20 0 DFADRP C[C@H]([NH3+])[C@H]1CCC[N@H+](CCC(=O)Nc2cccc(Cl)c2)C1 ZINC000070174487 425968604 /nfs/dbraw/zinc/96/86/04/425968604.db2.gz YRIHCGOCFSUHCK-STQMWFEESA-N 2 0 309.841 2.728 20 0 DFADRP C[C@H]([NH2+]CCC[NH+](C)C)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000105782777 425969064 /nfs/dbraw/zinc/96/90/64/425969064.db2.gz VNFXWDGFQXMTKM-GJZGRUSLSA-N 2 0 313.486 2.563 20 0 DFADRP C[C@H]([NH2+]CCC1CC[NH+](C)CC1)c1ccc2c(c1)OCCO2 ZINC000125385566 425969122 /nfs/dbraw/zinc/96/91/22/425969122.db2.gz YTIUOJMFYVYQOR-AWEZNQCLSA-N 2 0 304.434 2.840 20 0 DFADRP Cc1ccc(Cl)cc1NC(=O)C[N@@H+]1CCC[C@H](CC[NH3+])C1 ZINC000070170746 425969374 /nfs/dbraw/zinc/96/93/74/425969374.db2.gz CRQVMGDHCXNGBE-CYBMUJFWSA-N 2 0 309.841 2.648 20 0 DFADRP CC(C)[NH+]1CCC(C(=O)N2CCC[N@@H+](C3CCCC3)CC2)CC1 ZINC000073880626 426033444 /nfs/dbraw/zinc/03/34/44/426033444.db2.gz PPLBIYFEJNNUQA-UHFFFAOYSA-N 2 0 321.509 2.584 20 0 DFADRP CCCC[N@H+](C)CCNC(=O)[C@H](c1ccccc1)[NH+](C)CC ZINC000112310173 426071782 /nfs/dbraw/zinc/07/17/82/426071782.db2.gz HCACWKBXNCPYQF-KRWDZBQOSA-N 2 0 305.466 2.528 20 0 DFADRP CC1CC[NH+](C[C@H]2CCCN(CC[C@@H]3CCC[N@@H+]3C)C2)CC1 ZINC000161901919 426044797 /nfs/dbraw/zinc/04/47/97/426044797.db2.gz YIBRKOWHOUOLHQ-OALUTQOASA-N 2 0 307.526 2.915 20 0 DFADRP CCC[C@H](C(=O)NCC(C)(C)[NH2+][C@@H](C)c1ccccc1)[NH+](C)C ZINC000161996641 426047988 /nfs/dbraw/zinc/04/79/88/426047988.db2.gz LKVNIRAOYMRLOZ-DOTOQJQBSA-N 2 0 319.493 2.962 20 0 DFADRP Fc1ccccc1C[NH+]1CCC(C[NH2+]CC2=CCCOC2)CC1 ZINC000127146550 426052893 /nfs/dbraw/zinc/05/28/93/426052893.db2.gz VUYBTJMQEHXPEQ-UHFFFAOYSA-N 2 0 318.436 2.974 20 0 DFADRP C[C@H](C[NH2+][C@H]1CCSc2ccc(F)cc21)N1CC[NH+](C)CC1 ZINC000127311680 426060447 /nfs/dbraw/zinc/06/04/47/426060447.db2.gz CPBDYTHATWAHKG-CJNGLKHVSA-N 2 0 323.481 2.588 20 0 DFADRP C[C@H](Cn1ccnc1)[NH2+]Cc1ccc(Br)c(F)c1 ZINC000127398102 426064445 /nfs/dbraw/zinc/06/44/45/426064445.db2.gz GLAYKZVNHLEIMV-SNVBAGLBSA-N 2 0 312.186 2.963 20 0 DFADRP C[C@@H]([NH2+]C[C@H](C)N1CC[NH+](C)CC1)c1ccc(Cl)s1 ZINC000127418981 426066234 /nfs/dbraw/zinc/06/62/34/426066234.db2.gz HVOZUIMGZHBMKB-NWDGAFQWSA-N 2 0 301.887 2.688 20 0 DFADRP CC[C@H]([NH2+]Cc1cccc(OCC[NH+](C)C)c1)c1cnn(C)c1 ZINC000162534312 426068450 /nfs/dbraw/zinc/06/84/50/426068450.db2.gz LAVMJAUKTVZONB-SFHVURJKSA-N 2 0 316.449 2.601 20 0 DFADRP CC[C@H]([NH2+]Cc1cccc(OCC[NH+](C)C)c1)[C@H]1CCOC1 ZINC000162581318 426069354 /nfs/dbraw/zinc/06/93/54/426069354.db2.gz RDUROMDMZXOFEO-WMZOPIPTSA-N 2 0 306.450 2.532 20 0 DFADRP CCCc1ccc([C@H](C)[NH2+]C[C@@H](C)N2CC[NH+](C)CC2)cc1 ZINC000127511217 426070216 /nfs/dbraw/zinc/07/02/16/426070216.db2.gz IHRAQLJADOWRCR-SJORKVTESA-N 2 0 303.494 2.926 20 0 DFADRP C[NH+]1CCC(C[NH2+]C2CCN(Cc3cccc(F)c3)CC2)CC1 ZINC000126167641 426007434 /nfs/dbraw/zinc/00/74/34/426007434.db2.gz PYESMNFCUOSYOF-UHFFFAOYSA-N 2 0 319.468 2.722 20 0 DFADRP C[C@@H]([NH2+]CC1CC[NH+](C)CC1)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000126212384 426009950 /nfs/dbraw/zinc/00/99/50/426009950.db2.gz MPACTPFQRUORHA-CYBMUJFWSA-N 2 0 315.461 2.909 20 0 DFADRP C[C@@H]1CCC[C@@H]([NH+]2CCC([NH2+]CCc3cnn(C)c3)CC2)C1 ZINC000127858384 426089602 /nfs/dbraw/zinc/08/96/02/426089602.db2.gz PCRVICWZHWGNEA-CRAIPNDOSA-N 2 0 304.482 2.595 20 0 DFADRP Cc1ccc(C[C@@H]([NH2+]C[C@@H](C)N2CC[NH+](C)CC2)C2CC2)cc1 ZINC000127869514 426089844 /nfs/dbraw/zinc/08/98/44/426089844.db2.gz MPLKYKRHRZERQX-YLJYHZDGSA-N 2 0 315.505 2.542 20 0 DFADRP CC[N@@H+]1CC[C@H](C[NH2+]C2CCN(Cc3cccc(F)c3)CC2)C1 ZINC000163216716 426093782 /nfs/dbraw/zinc/09/37/82/426093782.db2.gz HDAFRKZDZSGOFX-QGZVFWFLSA-N 2 0 319.468 2.722 20 0 DFADRP CC[N@@H+]1CC[C@H](C[NH2+][C@@H](C)c2ccc(N3CCCC3=O)cc2)C1 ZINC000163296351 426096236 /nfs/dbraw/zinc/09/62/36/426096236.db2.gz NSEHILAPXJJMRU-JKSUJKDBSA-N 2 0 315.461 2.806 20 0 DFADRP CC(C)NC(=O)Nc1ccc(C[NH2+][C@H]2CC[N@H+](C)C[C@@H]2C)cc1 ZINC000128022766 426097903 /nfs/dbraw/zinc/09/79/03/426097903.db2.gz FTNOUPSNVMSOQX-YOEHRIQHSA-N 2 0 318.465 2.646 20 0 DFADRP CC(C)(C)[C@H]1CCCC[C@@H]1[NH2+]CCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000128116408 426102601 /nfs/dbraw/zinc/10/26/01/426102601.db2.gz YRONTCHUSUWNBH-ULQDDVLXSA-N 2 0 323.525 2.768 20 0 DFADRP C[C@@H]([NH2+][C@@H](C)c1cnn(C)c1)c1ccc(OCC[NH+](C)C)cc1 ZINC000163830806 426109535 /nfs/dbraw/zinc/10/95/35/426109535.db2.gz JIRWXQQJIQEBMX-CABCVRRESA-N 2 0 316.449 2.772 20 0 DFADRP CCCn1cc(C[N@@H+]2CC[C@@H](CNc3cccc(C)n3)C2)cn1 ZINC000128275783 426109639 /nfs/dbraw/zinc/10/96/39/426109639.db2.gz OUSMZNQDLBEGPJ-INIZCTEOSA-N 2 0 313.449 2.931 20 0 DFADRP CC[N@@H+]1CC[C@@H]([NH2+]C[C@H](O)c2cccc(OC(C)C)c2)[C@H](C)C1 ZINC000128318226 426112672 /nfs/dbraw/zinc/11/26/72/426112672.db2.gz JMQXFMFBDIECCF-LZQZEXGQSA-N 2 0 320.477 2.827 20 0 DFADRP C[C@@H]1CCC[N@H+](Cc2ccc(NC(=O)[C@H]3CCCC[NH2+]3)cc2)C1 ZINC000164571471 426115502 /nfs/dbraw/zinc/11/55/02/426115502.db2.gz BBYCLUNQXBPGKC-CRAIPNDOSA-N 2 0 315.461 2.999 20 0 DFADRP C[NH+](C)C[C@@H]1CC[N@H+](CCC(=O)Nc2cccc(Cl)c2)C1 ZINC000113515807 426116125 /nfs/dbraw/zinc/11/61/25/426116125.db2.gz KVYPFBVKSXCEMY-ZDUSSCGKSA-N 2 0 309.841 2.552 20 0 DFADRP CC[C@H]([NH3+])C(=O)NCc1ccc(C[NH+]2C[C@H](C)C[C@@H](C)C2)cc1 ZINC000164840706 426118118 /nfs/dbraw/zinc/11/81/18/426118118.db2.gz RRKSAPWGIXHVFE-RKVPGOIHSA-N 2 0 317.477 2.518 20 0 DFADRP [NH3+][C@@H]1CC[C@@H](C(=O)Nc2cccc(C[NH+]3CCCCC3)c2)C1 ZINC000165135080 426120318 /nfs/dbraw/zinc/12/03/18/426120318.db2.gz HLJWOFGOUQKOBG-HZPDHXFCSA-N 2 0 301.434 2.738 20 0 DFADRP C[N@H+](Cc1ccccc1CNC(=O)C(C)(C)[NH3+])C1CCCCC1 ZINC000165882161 426124803 /nfs/dbraw/zinc/12/48/03/426124803.db2.gz PZRIURBFGXHVFN-UHFFFAOYSA-N 2 0 317.477 2.805 20 0 DFADRP Cc1ccc2c(c1)[C@H]([NH2+]C[C@@H](C)N1CC[NH+](C)CC1)CCC2 ZINC000166507355 426128412 /nfs/dbraw/zinc/12/84/12/426128412.db2.gz PURWRBKISVODED-VQIMIIECSA-N 2 0 301.478 2.598 20 0 DFADRP CN1CCN(C(=O)CC[C@@H]([NH3+])c2ccccc2)c2ccccc2C1 ZINC000167653426 426133253 /nfs/dbraw/zinc/13/32/53/426133253.db2.gz RAKGONPTCWLMDM-GOSISDBHSA-N 2 0 323.440 2.945 20 0 DFADRP CCCC[N@H+](C)CC1CC[NH+](CC(=O)NC2CCCCC2)CC1 ZINC000114475874 426137076 /nfs/dbraw/zinc/13/70/76/426137076.db2.gz WTHBVNBJQPMOOD-UHFFFAOYSA-N 2 0 323.525 2.879 20 0 DFADRP CC[N@@H+]1CC[C@@H](NCCC[NH+](C)Cc2ccccc2)[C@H](C)C1 ZINC000162743969 426074871 /nfs/dbraw/zinc/07/48/71/426074871.db2.gz PYTUJFAAPAAOBP-IEBWSBKVSA-N 2 0 303.494 2.828 20 0 DFADRP CC[N@@H+]1CC[C@H](NCCC[NH+](C)Cc2ccccc2)[C@H](C)C1 ZINC000162743868 426075012 /nfs/dbraw/zinc/07/50/12/426075012.db2.gz PYTUJFAAPAAOBP-MJGOQNOKSA-N 2 0 303.494 2.828 20 0 DFADRP Cc1ccccc1NC(=O)CC[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000162823599 426078999 /nfs/dbraw/zinc/07/89/99/426078999.db2.gz RLFXKAIIVBLICJ-SJLPKXTDSA-N 2 0 315.461 2.740 20 0 DFADRP CC(C)[C@H](CCc1ccccc1)[NH2+]C[C@H](C)N1CC[NH+](C)CC1 ZINC000127707929 426081218 /nfs/dbraw/zinc/08/12/18/426081218.db2.gz ZZFVUMPUMWCPSQ-ICSRJNTNSA-N 2 0 317.521 2.869 20 0 DFADRP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC1=CCCOC1 ZINC000127727814 426082659 /nfs/dbraw/zinc/08/26/59/426082659.db2.gz KLHCCHGIWCYGFO-LPHOPBHVSA-N 2 0 300.446 2.833 20 0 DFADRP Cc1cnn([C@@H]2CCC[N@H+](CCCCn3ccnc3C)C2)c1 ZINC000162985885 426085260 /nfs/dbraw/zinc/08/52/60/426085260.db2.gz KZZHSKMJSQJVND-QGZVFWFLSA-N 2 0 301.438 2.814 20 0 DFADRP CCCCOC(=O)CC[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000134939037 426200864 /nfs/dbraw/zinc/20/08/64/426200864.db2.gz AYPORONZUKWLSP-WBVHZDCISA-N 2 0 308.466 2.669 20 0 DFADRP CCC(CC)C[N@H+](CC)CC(=O)NC1CC[NH+](C(C)C)CC1 ZINC000114562462 426139079 /nfs/dbraw/zinc/13/90/79/426139079.db2.gz YXOVIJJWJXOTDG-UHFFFAOYSA-N 2 0 311.514 2.734 20 0 DFADRP C[NH+]1CCN(c2cc[nH+]c(NCc3ccc(F)cc3)c2)CC1 ZINC000114699101 426142070 /nfs/dbraw/zinc/14/20/70/426142070.db2.gz MGNNTZCPCJESKH-UHFFFAOYSA-N 2 0 300.381 2.585 20 0 DFADRP C[N@H+](CCCO)C1CC[NH+]([C@H]2CCCc3ccccc32)CC1 ZINC000115548910 426167800 /nfs/dbraw/zinc/16/78/00/426167800.db2.gz DPVIZEMKUFRUKD-IBGZPJMESA-N 2 0 302.462 2.843 20 0 DFADRP CCCCNC(=O)CC[N@@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000116392539 426188819 /nfs/dbraw/zinc/18/88/19/426188819.db2.gz DXVKKPWTNSPWEV-GOSISDBHSA-N 2 0 323.525 2.881 20 0 DFADRP CC[C@@]1(C(=O)NCC(C)(C)[NH2+][C@H](C)c2ccccc2)CCC[NH2+]1 ZINC000134595374 426190049 /nfs/dbraw/zinc/19/00/49/426190049.db2.gz FLWXGMCIKIHNQI-BEFAXECRSA-N 2 0 317.477 2.764 20 0 DFADRP CC[NH+]1CCN([C@@H]2CC[N@H+](Cc3cccc(Cl)c3)C2)CC1 ZINC000171527135 426192721 /nfs/dbraw/zinc/19/27/21/426192721.db2.gz BDKOMYYBBLUNNH-QGZVFWFLSA-N 2 0 307.869 2.552 20 0 DFADRP CC[N@@H+]1CC[C@H]([NH+](C)CCC(=O)Nc2ccccc2C)[C@H](C)C1 ZINC000079461604 426193781 /nfs/dbraw/zinc/19/37/81/426193781.db2.gz PNUUTWFEFICJLL-AEFFLSMTSA-N 2 0 317.477 2.986 20 0 DFADRP C[N@H+](CCC(=O)Nc1ccccc1Cl)C[C@H]1CCC[NH+](C)C1 ZINC000118842420 426248010 /nfs/dbraw/zinc/24/80/10/426248010.db2.gz LLFCEQWENKDDKI-AWEZNQCLSA-N 2 0 323.868 2.942 20 0 DFADRP C[N@H+](CCC(=O)Nc1cccc(Cl)c1)C[C@H]1CCC[NH+](C)C1 ZINC000118841814 426248800 /nfs/dbraw/zinc/24/88/00/426248800.db2.gz APPHUGFOWZZFPS-AWEZNQCLSA-N 2 0 323.868 2.942 20 0 DFADRP CCc1ccc([C@@H](C)[NH2+]C2CCN(CC[NH+](C)C)CC2)cc1 ZINC000150951821 426268747 /nfs/dbraw/zinc/26/87/47/426268747.db2.gz POQFWXVYDGROKD-MRXNPFEDSA-N 2 0 303.494 2.926 20 0 DFADRP COc1ccc([C@H](C)[NH2+]C2CCN(CC[NH+](C)C)CC2)c(F)c1 ZINC000150951499 426268968 /nfs/dbraw/zinc/26/89/68/426268968.db2.gz ZHPZOTRWKVJVMZ-AWEZNQCLSA-N 2 0 323.456 2.511 20 0 DFADRP CC(C)C[C@H]([NH2+]C1CCN(CC[NH+](C)C)CC1)c1ccccn1 ZINC000150950413 426269082 /nfs/dbraw/zinc/26/90/82/426269082.db2.gz WNPVZPKZHBTVFG-IBGZPJMESA-N 2 0 318.509 2.784 20 0 DFADRP C[NH+](C)CCN1CCC([NH2+][C@H]2CCSc3ccccc32)CC1 ZINC000150960332 426269273 /nfs/dbraw/zinc/26/92/73/426269273.db2.gz DZUCEGXQRWECSF-KRWDZBQOSA-N 2 0 319.518 2.839 20 0 DFADRP CCc1nc(C)c([C@H](C)[NH2+]C2CCN(CC[NH+](C)C)CC2)s1 ZINC000150949348 426269579 /nfs/dbraw/zinc/26/95/79/426269579.db2.gz DELNAHGICZPDLK-ZDUSSCGKSA-N 2 0 324.538 2.691 20 0 DFADRP CN(CC1CC[NH+](C)CC1)C(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000171721127 426206949 /nfs/dbraw/zinc/20/69/49/426206949.db2.gz ZXLGDMSMCDDQQF-UHFFFAOYSA-N 2 0 318.465 2.554 20 0 DFADRP C[C@@H]1C[C@H](NC2CC[NH+](C3CC3)CC2)C[N@@H+]1Cc1ccccc1 ZINC000119566671 426297264 /nfs/dbraw/zinc/29/72/64/426297264.db2.gz OUZAJCDLBMRFPK-APWZRJJASA-N 2 0 313.489 2.866 20 0 DFADRP CC[C@H]([NH2+]CC1CC[NH+](CCO)CC1)c1cc(F)ccc1F ZINC000151817359 426314318 /nfs/dbraw/zinc/31/43/18/426314318.db2.gz QRBPPBJECCIPTG-KRWDZBQOSA-N 2 0 312.404 2.710 20 0 DFADRP C[C@@H]([NH2+]CC1CC[NH+](CCO)CC1)c1cnc2ccsc2c1 ZINC000151862607 426317012 /nfs/dbraw/zinc/31/70/12/426317012.db2.gz NFAWKCAVEGPFBS-CYBMUJFWSA-N 2 0 319.474 2.651 20 0 DFADRP COc1cc(CN(C)C[C@@H]2CC[N@H+](C)C2)cc(Cl)c1OC ZINC000120994052 426318949 /nfs/dbraw/zinc/31/89/49/426318949.db2.gz LHJXEJGXMQAERT-GFCCVEGCSA-N 2 0 312.841 2.741 20 0 DFADRP C[NH+](C)Cc1cccc(C[NH2+][C@H]2[C@@H]3CCO[C@@H]3C23CCC3)c1 ZINC000121098587 426320338 /nfs/dbraw/zinc/32/03/38/426320338.db2.gz IYVJSGQETONJHL-BZSNNMDCSA-N 2 0 300.446 2.795 20 0 DFADRP Cc1cc([C@H](C)[NH2+]C[C@H](C)CN2CC[NH+](C)CC2)cc(C)c1F ZINC000121084722 426320819 /nfs/dbraw/zinc/32/08/19/426320819.db2.gz VSWKLZYAJVSMMX-YOEHRIQHSA-N 2 0 321.484 2.977 20 0 DFADRP COc1cccc([C@H](C[NH2+][C@@H]2C[C@@H](C)[N@H+](C)C[C@H]2C)N(C)C)c1 ZINC000121231791 426326974 /nfs/dbraw/zinc/32/69/74/426326974.db2.gz PVHPHNNCYTUWBV-RGCFKVTRSA-N 2 0 319.493 2.616 20 0 DFADRP COC[C@H]([NH2+][C@H](C)c1ccc(OCC[NH+](C)C)cc1)C1CC1 ZINC000090717281 426330144 /nfs/dbraw/zinc/33/01/44/426330144.db2.gz ZEUUZGUDRXWHHJ-KDOFPFPSSA-N 2 0 306.450 2.703 20 0 DFADRP CC[N@@H+]1CC[C@@H]([NH2+]CC2([C@H](O)c3ccccc3)CC2)[C@H](C)C1 ZINC000090770565 426330432 /nfs/dbraw/zinc/33/04/32/426330432.db2.gz BLRSWYDUWXNKCX-KBAYOESNSA-N 2 0 302.462 2.820 20 0 DFADRP C[C@@H]1C[C@@H]([NH2+]CCc2nc(C(F)(F)F)cs2)CC[N@@H+]1C ZINC000152192915 426331125 /nfs/dbraw/zinc/33/11/25/426331125.db2.gz GEFFGBOPBIWHRA-ZJUUUORDSA-N 2 0 307.385 2.777 20 0 DFADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+][C@@H](C)c2ccc(F)cc2)CC1 ZINC000121346881 426336121 /nfs/dbraw/zinc/33/61/21/426336121.db2.gz WJWXBQPTZMQHHN-HOTGVXAUSA-N 2 0 307.457 2.750 20 0 DFADRP CC(C)C[C@H](CO)[NH2+][C@@H](C)c1cccc(OCC[NH+](C)C)c1 ZINC000151190538 426282466 /nfs/dbraw/zinc/28/24/66/426282466.db2.gz XGUIPOIWQQOIEK-DOTOQJQBSA-N 2 0 308.466 2.685 20 0 DFADRP C[NH+](C)Cc1cccc(NC(=O)N[C@H]2CCC[C@H]([NH+](C)C)C2)c1 ZINC000175159230 426283882 /nfs/dbraw/zinc/28/38/82/426283882.db2.gz DGLOUKJZKXPCBF-IRXDYDNUSA-N 2 0 318.465 2.743 20 0 DFADRP C[C@H]1C[C@@H]([NH2+]CC(C)(C)c2ccc3c(c2)OCO3)CC[N@@H+]1C ZINC000122809132 426396217 /nfs/dbraw/zinc/39/62/17/426396217.db2.gz RMOUVMHZKCVWEL-ZFWWWQNUSA-N 2 0 304.434 2.765 20 0 DFADRP Cc1ccc([C@@H]([NH2+]C[C@@H](C)CN2CC[NH+](C)CC2)C2CC2)cc1 ZINC000091320347 426341250 /nfs/dbraw/zinc/34/12/50/426341250.db2.gz JNSTWEDSURRRAL-YLJYHZDGSA-N 2 0 315.505 2.919 20 0 DFADRP Fc1ccccc1CC[NH+]1CCC(OCC[NH+]2CCCC2)CC1 ZINC000121411205 426341218 /nfs/dbraw/zinc/34/12/18/426341218.db2.gz ZVHKSYSXYWVRSK-UHFFFAOYSA-N 2 0 320.452 2.945 20 0 DFADRP C[NH+](C)CC1CC[NH+](Cc2cnn(Cc3ccccc3)c2)CC1 ZINC000339841740 268901774 /nfs/dbraw/zinc/90/17/74/268901774.db2.gz ATEQFCYRPPDEPF-UHFFFAOYSA-N 2 0 312.461 2.705 20 0 DFADRP C[C@H]1CCC[C@@H](C[NH+]2CCN(C[C@@H]3CCCC[N@@H+]3C)CC2)C1 ZINC000092796438 426353242 /nfs/dbraw/zinc/35/32/42/426353242.db2.gz ZGAPTDHKWBDIKK-OTWHNJEPSA-N 2 0 307.526 2.915 20 0 DFADRP COCC[N@H+](C)CCC[NH2+][C@@H](C)c1cnc2ccsc2c1 ZINC000153776134 426405567 /nfs/dbraw/zinc/40/55/67/426405567.db2.gz IGRMACQNKFTJAN-ZDUSSCGKSA-N 2 0 307.463 2.915 20 0 DFADRP CC[C@H]([NH2+]Cc1ccccc1OCC[NH+](C)C)[C@H]1CCOC1 ZINC000122376471 426372812 /nfs/dbraw/zinc/37/28/12/426372812.db2.gz KPVDHOQMYSZBGG-IRXDYDNUSA-N 2 0 306.450 2.532 20 0 DFADRP COc1ccc(C(C)(C)C[NH2+][C@H]2CC[N@H+](C)C[C@H]2C)cc1OC ZINC000153171767 426373770 /nfs/dbraw/zinc/37/37/70/426373770.db2.gz GDJOCBNUPABGLH-ZBFHGGJFSA-N 2 0 320.477 2.911 20 0 DFADRP C[C@@H](c1ccc(Cl)cc1)[N@H+](C)CCCN1CC[NH+](C)CC1 ZINC000122712686 426390020 /nfs/dbraw/zinc/39/00/20/426390020.db2.gz CTYURTPCQJBXGU-HNNXBMFYSA-N 2 0 309.885 2.970 20 0 DFADRP CCOc1ccc(CN[C@H]2C[C@@H](C)[N@H+](C)C[C@@H]2C)cc1OC ZINC000153840520 426409014 /nfs/dbraw/zinc/40/90/14/426409014.db2.gz YUKJBQGHIYBMKJ-LZWOXQAQSA-N 2 0 306.450 2.912 20 0 DFADRP CC[C@H](C[NH2+][C@H](C)[C@@H]1CCOC1)N1CCc2ccccc2C1 ZINC000123100412 426413457 /nfs/dbraw/zinc/41/34/57/426413457.db2.gz GJSYLSJTKVZREI-ATZDWAIDSA-N 2 0 302.462 2.838 20 0 DFADRP CC[C@H](CN[C@H]1CC[N@H+](C)[C@H](C)C1)[NH+]1CCc2ccccc2C1 ZINC000123093854 426414098 /nfs/dbraw/zinc/41/40/98/426414098.db2.gz DXIXTGYZANKKGE-LSTHTHJFSA-N 2 0 315.505 2.896 20 0 DFADRP CC1CCC(NC(=O)C[NH+]2CCC(CCC[NH+](C)C)CC2)CC1 ZINC000123195185 426418557 /nfs/dbraw/zinc/41/85/57/426418557.db2.gz TWIYOVFATHYJAK-UHFFFAOYSA-N 2 0 323.525 2.735 20 0 DFADRP Cn1ccnc1C[C@@H]1CCC[N@H+](CCCOCC(F)(F)F)C1 ZINC000123540635 426438746 /nfs/dbraw/zinc/43/87/46/426438746.db2.gz SFQXOJBXEIMRND-ZDUSSCGKSA-N 2 0 319.371 2.644 20 0 DFADRP C[C@H](CCc1ccccc1)[NH2+]CCCN1CCC[N@H+](C)CC1 ZINC000177302866 426465766 /nfs/dbraw/zinc/46/57/66/426465766.db2.gz WEDBYGGZPJOTQZ-GOSISDBHSA-N 2 0 303.494 2.625 20 0 DFADRP CC[N@@H+]1CC[C@@H](C[NH2+][C@@H](C)c2cc(OC)c(OC)c(OC)c2)C1 ZINC000124168467 426473188 /nfs/dbraw/zinc/47/31/88/426473188.db2.gz NTMWTVNGMUTSCV-KBPBESRZSA-N 2 0 322.449 2.705 20 0 DFADRP C[NH+](C)Cc1cccc(C(=O)NCC(C)(C)[NH+]2CCCCC2)c1 ZINC000155499658 426473707 /nfs/dbraw/zinc/47/37/07/426473707.db2.gz XVWUQYISOTWDCQ-UHFFFAOYSA-N 2 0 317.477 2.743 20 0 DFADRP Cc1cc(NC[C@@H](C)[NH+]2CCN(C)CC2)c2cc(F)ccc2[nH+]1 ZINC000124205459 426475596 /nfs/dbraw/zinc/47/55/96/426475596.db2.gz UAOBQEIVYVYZHV-CQSZACIVSA-N 2 0 316.424 2.730 20 0 DFADRP COc1ccc(C[C@H](C)[NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)cc1OC ZINC000124357737 426481927 /nfs/dbraw/zinc/48/19/27/426481927.db2.gz JPMKEOGHNYHATQ-HOCLYGCPSA-N 2 0 318.461 2.709 20 0 DFADRP COCC[C@@H](C)[NH2+]CC1CC[NH+](Cc2ccc(OC)cc2)CC1 ZINC000124378778 426482751 /nfs/dbraw/zinc/48/27/51/426482751.db2.gz ZQALHCJSQFREDS-MRXNPFEDSA-N 2 0 320.477 2.922 20 0 DFADRP COC[C@H]([NH2+][C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1)C1CC1 ZINC000272364370 426506711 /nfs/dbraw/zinc/50/67/11/426506711.db2.gz SPBSZPJDGWXSGD-SNRMKQJTSA-N 2 0 302.462 2.912 20 0 DFADRP CC[NH+]1CCC(N[C@@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000272368563 426509433 /nfs/dbraw/zinc/50/94/33/426509433.db2.gz UIUYJMRREDYNDA-HKUYNNGSSA-N 2 0 315.505 2.971 20 0 DFADRP C[NH+](C)[C@@H](CNC(=O)C[N@H+](C)C1CCCCC1)c1ccccc1 ZINC000177756752 426516647 /nfs/dbraw/zinc/51/66/47/426516647.db2.gz PURDNEKFCSRPAG-SFHVURJKSA-N 2 0 317.477 2.670 20 0 DFADRP C[C@H](CCC1CC1)[NH2+]Cc1ccc(C(=O)NCC[NH+](C)C)cc1 ZINC000186410521 426523819 /nfs/dbraw/zinc/52/38/19/426523819.db2.gz BBVUIOGKCVWYRL-OAHLLOKOSA-N 2 0 317.477 2.646 20 0 DFADRP C[C@@H]1C[N@@H+](Cc2ccccc2C[NH2+][C@@H]2CCSC2)C[C@H](C)O1 ZINC000177888782 426534499 /nfs/dbraw/zinc/53/44/99/426534499.db2.gz TVYVRQXPUMGAGP-RVKKMQEKSA-N 2 0 320.502 2.891 20 0 DFADRP CC[C@H]([NH2+][C@H](C)CCN1CC[NH+](C)CC1)c1ccccc1OC ZINC000186581333 426555148 /nfs/dbraw/zinc/55/51/48/426555148.db2.gz NDUBQXKZEBQIIR-AEFFLSMTSA-N 2 0 319.493 2.762 20 0 DFADRP CCO[C@H]1C[C@H]([NH2+]CC2(C[NH+](C)C)CCCC2)C12CCOCC2 ZINC000186505214 426540862 /nfs/dbraw/zinc/54/08/62/426540862.db2.gz QYTXOOILGDWQHA-IRXDYDNUSA-N 2 0 324.509 2.672 20 0 DFADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]C2CC(OC(C)C)C2)[C@H](C)C1 ZINC000186552355 426547767 /nfs/dbraw/zinc/54/77/67/426547767.db2.gz MPGJFCQUEKITHQ-CPFNUKBASA-N 2 0 312.498 2.669 20 0 DFADRP O[C@@H](C[NH2+][C@H]1CC=C(c2ccc(F)cc2)CC1)C[NH+]1CCCC1 ZINC000272526064 426548901 /nfs/dbraw/zinc/54/89/01/426548901.db2.gz OFWIFMROPWQJSJ-OALUTQOASA-N 2 0 318.436 2.808 20 0 DFADRP C[C@@H]1C[C@H]([NH2+]CC2(C)CC[NH+](C)CC2)CN1Cc1ccccc1 ZINC000272525440 426549665 /nfs/dbraw/zinc/54/96/65/426549665.db2.gz JMBKLBPTLWFSNE-MJGOQNOKSA-N 2 0 315.505 2.971 20 0 DFADRP C[C@H](CCC1CC1)[NH2+]Cc1cccnc1N1CC[NH+](C)CC1 ZINC000186283282 426499908 /nfs/dbraw/zinc/49/99/08/426499908.db2.gz AJIFFNOUOHFQAW-OAHLLOKOSA-N 2 0 302.466 2.502 20 0 DFADRP C[C@H](CCO)[NH2+][C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000272705144 426573072 /nfs/dbraw/zinc/57/30/72/426573072.db2.gz UAYMNQAZOVREFG-QXCFHYIPSA-N 2 0 302.462 2.648 20 0 DFADRP Brc1ccc(CC[NH2+][C@H]2CCC[NH2+]CC2)s1 ZINC000226359627 426620915 /nfs/dbraw/zinc/62/09/15/426620915.db2.gz MCUHHDGWYVWJOW-JTQLQIEISA-N 2 0 303.269 2.785 20 0 DFADRP Cc1nn(C)cc1[C@H](C)[NH2+]Cc1cccc(OCC[NH+](C)C)c1 ZINC000178173690 426581932 /nfs/dbraw/zinc/58/19/32/426581932.db2.gz PNDCEFACNBSIQU-AWEZNQCLSA-N 2 0 316.449 2.520 20 0 DFADRP C[C@H]([NH2+]CC1CCOCC1)c1cccc(OCC[NH+](C)C)c1 ZINC000178279880 426599733 /nfs/dbraw/zinc/59/97/33/426599733.db2.gz HEIGYTCLWJIDNP-HNNXBMFYSA-N 2 0 306.450 2.704 20 0 DFADRP Cc1nn(C)cc1[C@H](C)[NH2+]Cc1ccc(F)c(C[NH+](C)C)c1 ZINC000178299804 426601231 /nfs/dbraw/zinc/60/12/31/426601231.db2.gz FVXJHZVJVJGMBL-LBPRGKRZSA-N 2 0 304.413 2.780 20 0 DFADRP C[C@H](NC[C@@H](C1CC1)[N@H+](C)Cc1ccccc1)c1nccn1C ZINC000186876458 426602354 /nfs/dbraw/zinc/60/23/54/426602354.db2.gz YWKOHEMOBWHWSY-YJBOKZPZSA-N 2 0 312.461 2.981 20 0 DFADRP CSC1(C[NH2+]Cc2ccc(C[NH+]3CCC(O)CC3)cc2)CC1 ZINC000289241727 426613854 /nfs/dbraw/zinc/61/38/54/426613854.db2.gz LDMWBHJOYTVPLC-UHFFFAOYSA-N 2 0 320.502 2.629 20 0 DFADRP C[C@@H]1CC[C@@H](C[N@@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)O1 ZINC000280607583 426613886 /nfs/dbraw/zinc/61/38/86/426613886.db2.gz XLLJBQWCMWDWCC-YSHGAJCASA-N 2 0 300.446 2.618 20 0 DFADRP CCC(C)(C)[NH2+][C@H](C)C(=O)Nc1ccc(OCC[NH+](C)C)cc1 ZINC000273209241 426617129 /nfs/dbraw/zinc/61/71/29/426617129.db2.gz LJJGCWGTSFBZDX-CQSZACIVSA-N 2 0 321.465 2.732 20 0 DFADRP CC[C@@H](C)NC(=O)C[NH+]1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000178388687 426619969 /nfs/dbraw/zinc/61/99/69/426619969.db2.gz UWTSXWOOSUHADI-SJORKVTESA-N 2 0 323.525 2.878 20 0 DFADRP CCC(C)(C)[NH2+][C@H](C)C(=O)NC[C@@H](c1ccc(F)cc1)[NH+](C)C ZINC000273222502 426620213 /nfs/dbraw/zinc/62/02/13/426620213.db2.gz PLEPGCIDEHYFFK-CJNGLKHVSA-N 2 0 323.456 2.711 20 0 DFADRP Brc1cncc(CNC2CC[NH+](CC3CC3)CC2)c1 ZINC000186595231 426558618 /nfs/dbraw/zinc/55/86/18/426558618.db2.gz QCWMGMIHIZZFAN-UHFFFAOYSA-N 2 0 324.266 2.808 20 0 DFADRP C[C@H]([NH2+]CCOCC1CC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272562912 426558681 /nfs/dbraw/zinc/55/86/81/426558681.db2.gz UOUSNFBQMNJWLE-LPHOPBHVSA-N 2 0 302.462 2.913 20 0 DFADRP C[C@@H](CCN1CC[NH+](C)CC1)[NH2+]C1CCC(C(F)(F)F)CC1 ZINC000186598380 426561392 /nfs/dbraw/zinc/56/13/92/426561392.db2.gz CHUVHHDNHLURNP-NFOMZHRRSA-N 2 0 321.431 2.723 20 0 DFADRP CCN(CCC[NH+](C)C)Cc1cn(C)nc1-c1ccccc1 ZINC000289443201 426658288 /nfs/dbraw/zinc/65/82/88/426658288.db2.gz MDBIYDWISINXLU-UHFFFAOYSA-N 2 0 300.450 2.861 20 0 DFADRP CC[C@@H]1[NH2+]CC[C@H]1C(=O)NCc1ccccc1C[N@H+](C)C(C)C ZINC000289474651 426666623 /nfs/dbraw/zinc/66/66/23/426666623.db2.gz BEQRPMLHLARHRN-MSOLQXFVSA-N 2 0 317.477 2.531 20 0 DFADRP C[NH+]1CCC(CC[NH2+]Cc2ccnn2-c2ccc(F)cc2)CC1 ZINC000280864620 426672819 /nfs/dbraw/zinc/67/28/19/426672819.db2.gz MFFHFNPICFKZDX-UHFFFAOYSA-N 2 0 316.424 2.833 20 0 DFADRP CC1CC[NH+](Cc2ccc(CNC(=O)CC(C)(C)[NH3+])cc2)CC1 ZINC000178690167 426676099 /nfs/dbraw/zinc/67/60/99/426676099.db2.gz OUGPYWYGIAYSJY-UHFFFAOYSA-N 2 0 317.477 2.662 20 0 DFADRP c1ccc(CN2CC[NH+](CCCC[NH2+]CC3CC3)CC2)cc1 ZINC000236697942 426676726 /nfs/dbraw/zinc/67/67/26/426676726.db2.gz SPTLURHMRGEAFZ-UHFFFAOYSA-N 2 0 301.478 2.584 20 0 DFADRP C[C@H](CC(=O)NCCCC[NH+]1CCC(C)CC1)[C@H]1CCC[NH2+]C1 ZINC000236696452 426677002 /nfs/dbraw/zinc/67/70/02/426677002.db2.gz GMHAPICGHNQQPS-MSOLQXFVSA-N 2 0 323.525 2.641 20 0 DFADRP CC(C)([NH3+])CC(=O)NC[C@@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC000178699329 426678380 /nfs/dbraw/zinc/67/83/80/426678380.db2.gz WSXVPDDFANEEST-HNNXBMFYSA-N 2 0 323.868 2.721 20 0 DFADRP CC(C)CC[N@@H+]1Cc2cccc(NC(=O)[C@H]3CC[NH2+]C3)c2C1 ZINC000236721334 426680192 /nfs/dbraw/zinc/68/01/92/426680192.db2.gz TZNHUMWHWCFXJQ-AWEZNQCLSA-N 2 0 301.434 2.596 20 0 DFADRP CC(C)[C@H]([NH3+])C(=O)N1CCN([C@@H](C)c2ccc(Cl)cc2)CC1 ZINC000236728470 426680561 /nfs/dbraw/zinc/68/05/61/426680561.db2.gz SJIDRTYWPDTBTN-BBRMVZONSA-N 2 0 323.868 2.529 20 0 DFADRP CC(C)CC[N@@H+]1Cc2cccc(NC(=O)[C@@H]3CC[NH2+]C3)c2C1 ZINC000236721169 426680995 /nfs/dbraw/zinc/68/09/95/426680995.db2.gz TZNHUMWHWCFXJQ-CQSZACIVSA-N 2 0 301.434 2.596 20 0 DFADRP C[NH+]1CCN(CCC[NH2+][C@@H]2CC(C)(C)c3ccccc32)CC1 ZINC000178416153 426623436 /nfs/dbraw/zinc/62/34/36/426623436.db2.gz RYUAORFSMWQOMZ-GOSISDBHSA-N 2 0 301.478 2.636 20 0 DFADRP C[C@H]([NH2+]Cc1ccc(CN2CC[NH+](C)CC2)cc1)C1CCC1 ZINC000178414429 426624023 /nfs/dbraw/zinc/62/40/23/426624023.db2.gz LVXJBLRHOJQNKD-INIZCTEOSA-N 2 0 301.478 2.712 20 0 DFADRP COc1cc(C)c([C@@H](C)[NH2+][C@H](C)CN2CC[NH+](C)CC2)cc1C ZINC000273242559 426624641 /nfs/dbraw/zinc/62/46/41/426624641.db2.gz YYFSYKWUEJDURP-IAGOWNOFSA-N 2 0 319.493 2.599 20 0 DFADRP CC(C)[NH+]1CCC([N@H+](C)C[C@H](O)CCc2ccccc2)CC1 ZINC000273260700 426630523 /nfs/dbraw/zinc/63/05/23/426630523.db2.gz XXAAHVRPGCUSFD-LJQANCHMSA-N 2 0 304.478 2.785 20 0 DFADRP C[C@@H]([NH2+][C@@H](CO)CC1CCC1)c1ccc(OCC[NH+](C)C)cc1 ZINC000280939811 426689975 /nfs/dbraw/zinc/68/99/75/426689975.db2.gz ISJYUGDBFLQYQW-CRAIPNDOSA-N 2 0 320.477 2.829 20 0 DFADRP CC[NH+](CC)[C@@H](CNC(=O)[C@@H]1CCC[NH2+]1)c1ccccc1Cl ZINC000236829018 426688188 /nfs/dbraw/zinc/68/81/88/426688188.db2.gz GROHNKHBPXCJBV-HOTGVXAUSA-N 2 0 323.868 2.591 20 0 DFADRP C[N@@H+]1CCC[C@H](CNC(=O)[C@@H]([NH3+])C(C)(C)C)[C@@H]1c1cccs1 ZINC000237085714 426689229 /nfs/dbraw/zinc/68/92/29/426689229.db2.gz MEFNSMFZCGSMIG-BPLDGKMQSA-N 2 0 323.506 2.621 20 0 DFADRP [NH3+][C@H]1CCC[C@@H](C(=O)N2CCC[N@H+](CC3CCCCC3)CC2)C1 ZINC000238006567 426703213 /nfs/dbraw/zinc/70/32/13/426703213.db2.gz RWDLGZZBMOIWAR-MSOLQXFVSA-N 2 0 321.509 2.619 20 0 DFADRP CC[C@H](C)NC(=O)[C@H](C)[NH+]1CCC(CCC[NH+]2CCCC2)CC1 ZINC000178915473 426720450 /nfs/dbraw/zinc/72/04/50/426720450.db2.gz DMAFYHUSACFDIT-IRXDYDNUSA-N 2 0 323.525 2.878 20 0 DFADRP CCC[NH+]1CCC([NH2+]C[C@@]2(O)CCC[C@H](C(F)(F)F)C2)CC1 ZINC000188633739 426771289 /nfs/dbraw/zinc/77/12/89/426771289.db2.gz HGIFGOBLFTYWHV-DZGCQCFKSA-N 2 0 322.415 2.934 20 0 DFADRP C[C@H](C(=O)N1CCC(CCC[NH+](C)C)CC1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000245973257 426789933 /nfs/dbraw/zinc/78/99/33/426789933.db2.gz WRAAFQLGGVWTBY-IXDOHACOSA-N 2 0 323.525 2.828 20 0 DFADRP COC[C@H](C)[N@H+](C)Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000179370585 426782788 /nfs/dbraw/zinc/78/27/88/426782788.db2.gz NGGUFKQVMVUFHR-INIZCTEOSA-N 2 0 319.493 2.684 20 0 DFADRP CCn1nc(CN2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)c2ccccc21 ZINC000274504993 426783212 /nfs/dbraw/zinc/78/32/12/426783212.db2.gz SVJSLVVUAILAAY-MAUKXSAKSA-N 2 0 312.461 2.972 20 0 DFADRP O[C@@H](C[N@@H+](Cc1ccccc1)CC1CC[NH2+]CC1)c1ccco1 ZINC000178976654 426729960 /nfs/dbraw/zinc/72/99/60/426729960.db2.gz FZLJPLHSRYGIEB-SFHVURJKSA-N 2 0 314.429 2.815 20 0 DFADRP OCCC[N@H+](CC1CC[NH2+]CC1)[C@@H]1CCCc2ccccc21 ZINC000178976055 426730211 /nfs/dbraw/zinc/73/02/11/426730211.db2.gz OJKZCYGFYXUDIV-LJQANCHMSA-N 2 0 302.462 2.748 20 0 DFADRP OCCC[N@H+](CC1CC[NH2+]CC1)[C@H]1CCCc2ccccc21 ZINC000178976044 426730285 /nfs/dbraw/zinc/73/02/85/426730285.db2.gz OJKZCYGFYXUDIV-IBGZPJMESA-N 2 0 302.462 2.748 20 0 DFADRP CC[N@@H+]1CC[C@@H](N(C)CC(=O)N(C2CC2)C2CCCC2)[C@@H](C)C1 ZINC000245413676 426737319 /nfs/dbraw/zinc/73/73/19/426737319.db2.gz BREKLYFXCSMIGE-MAUKXSAKSA-N 2 0 321.509 2.582 20 0 DFADRP COc1ccc2c(c1)C[C@@H]([NH2+]C[C@@H](C)Cn1ccnc1C)CC2 ZINC000179023304 426737355 /nfs/dbraw/zinc/73/73/55/426737355.db2.gz GTKNECLZDDXUDD-KDOFPFPSSA-N 2 0 313.445 2.983 20 0 DFADRP C[N@H+](C[C@]1(O)CCN(Cc2ccccc2)C1)[C@H]1C=CCCC1 ZINC000188275381 426737573 /nfs/dbraw/zinc/73/75/73/426737573.db2.gz BRAASBWTQHSMHM-RBUKOAKNSA-N 2 0 300.446 2.664 20 0 DFADRP CCn1nc(CN2CCC[C@@H]3C[N@H+](C)CC[C@@H]32)c2ccccc21 ZINC000290310004 426738618 /nfs/dbraw/zinc/73/86/18/426738618.db2.gz CAIGHXXPRHSWET-QAPCUYQASA-N 2 0 312.461 2.972 20 0 DFADRP CCn1nc(CN2CCC[C@H]3C[N@H+](C)CC[C@@H]32)c2ccccc21 ZINC000290310009 426739525 /nfs/dbraw/zinc/73/95/25/426739525.db2.gz CAIGHXXPRHSWET-YJBOKZPZSA-N 2 0 312.461 2.972 20 0 DFADRP CC[NH+]1CCN(c2ccccc2N[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC000245563359 426752614 /nfs/dbraw/zinc/75/26/14/426752614.db2.gz MQAYSUHLVBBMDU-IRXDYDNUSA-N 2 0 316.493 2.723 20 0 DFADRP c1cn2cc(CN3CC[C@@H]4[C@H](CCC[N@@H+]4C4CC4)C3)nc2s1 ZINC000179181288 426764830 /nfs/dbraw/zinc/76/48/30/426764830.db2.gz DXEOHEOSLKIGCN-CZUORRHYSA-N 2 0 316.474 2.845 20 0 DFADRP O[C@@H]1CCC[C@H]1[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000245716111 426766018 /nfs/dbraw/zinc/76/60/18/426766018.db2.gz OCDGRTRNVXDJQR-RHQZKXFESA-N 2 0 300.446 2.685 20 0 DFADRP CCC[N@H+](CC)CCNC(=O)c1ccc(C[NH+]2CCCC2)cc1 ZINC000266940659 426799896 /nfs/dbraw/zinc/79/98/96/426799896.db2.gz WHHUQSYQUPZKFY-UHFFFAOYSA-N 2 0 317.477 2.744 20 0 DFADRP CC[N@H+](C)[C@H](C(=O)N[C@H](C)C(C)(C)C[NH+](C)C)c1ccccc1 ZINC000246144940 426803719 /nfs/dbraw/zinc/80/37/19/426803719.db2.gz GSGQNJZYLMUIHT-WBVHZDCISA-N 2 0 319.493 2.772 20 0 DFADRP C[C@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)C2(C[NH3+])CCCC2)C1 ZINC000246163229 426805601 /nfs/dbraw/zinc/80/56/01/426805601.db2.gz ALPUOOVQRQKOPC-DLBZAZTESA-N 2 0 321.509 2.619 20 0 DFADRP COCC[N@H+](C)CCC[NH2+][C@@H]1CC[C@H](Cc2ccccc2)C1 ZINC000189039768 426813204 /nfs/dbraw/zinc/81/32/04/426813204.db2.gz VLKJHRUCGRMXGB-RTBURBONSA-N 2 0 304.478 2.956 20 0 DFADRP C[C@H](c1ccccn1)[NH+]1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000267079259 426821991 /nfs/dbraw/zinc/82/19/91/426821991.db2.gz QKFJJANUJANYHE-IXDOHACOSA-N 2 0 317.477 2.964 20 0 DFADRP COc1cc(C[NH+]2CCC(C[NH+]3CCCC3)CC2)ccc1O ZINC000179948886 426825156 /nfs/dbraw/zinc/82/51/56/426825156.db2.gz XCVQLLBIEBWKKL-UHFFFAOYSA-N 2 0 304.434 2.709 20 0 DFADRP CC(C)C[N@@H+]1CCC[C@H](CNC(=O)[C@H](C)[NH+]2[C@@H](C)CC[C@@H]2C)C1 ZINC000246375409 426826079 /nfs/dbraw/zinc/82/60/79/426826079.db2.gz HWPCHTKNVOMSSS-XLAORIBOSA-N 2 0 323.525 2.732 20 0 DFADRP Cc1cccc2c1C[N@H+](CCCN1CC[NH+](C(C)C)CC1)CC2 ZINC000282085559 426827169 /nfs/dbraw/zinc/82/71/69/426827169.db2.gz OHDWBQUEACTRTN-UHFFFAOYSA-N 2 0 315.505 2.769 20 0 DFADRP c1cnn(CC[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)c1 ZINC000180112222 426835532 /nfs/dbraw/zinc/83/55/32/426835532.db2.gz WMGSKQVVUIEXJX-YQQQUEKLSA-N 2 0 310.445 2.668 20 0 DFADRP C[N@@H+]1CCN(CC[NH2+][C@H]2CCC[C@H]2c2ccccc2)CC1(C)C ZINC000282141652 426837559 /nfs/dbraw/zinc/83/75/59/426837559.db2.gz CCCMWIWUFJMWMQ-OALUTQOASA-N 2 0 315.505 2.938 20 0 DFADRP COc1ccc(OC)c(CCC[NH2+][C@@H]2C[C@@H](C)[N@H+](C)C[C@@H]2C)c1 ZINC000246499360 426839433 /nfs/dbraw/zinc/83/94/33/426839433.db2.gz SLGMYTWHEOTQEK-HDMKZQKVSA-N 2 0 320.477 2.955 20 0 DFADRP COC(C)(C)C[NH2+][C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000180170628 426839898 /nfs/dbraw/zinc/83/98/98/426839898.db2.gz VBDSXHNZKJDUCY-OKZBNKHCSA-N 2 0 302.462 2.912 20 0 DFADRP C[NH2+]C[C@@H](C)C(=O)NCc1ccccc1C[N@@H+]1CCCC[C@@H]1C ZINC000246538704 426842727 /nfs/dbraw/zinc/84/27/27/426842727.db2.gz SIOOCALZYRIRRB-CVEARBPZSA-N 2 0 317.477 2.533 20 0 DFADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+][C@H]1CCCN(Cc2ccccc2)C1 ZINC000246626412 426851104 /nfs/dbraw/zinc/85/11/04/426851104.db2.gz FHNBUZSPLKENFS-JYBIWHBTSA-N 2 0 315.505 2.969 20 0 DFADRP Oc1ccc(CC[NH2+][C@H]2CCN(CCc3ccccc3)C2)cc1 ZINC000267251706 426855454 /nfs/dbraw/zinc/85/54/54/426855454.db2.gz OKMOIFHCHWGQAH-IBGZPJMESA-N 2 0 310.441 2.841 20 0 DFADRP c1[nH]c2nccnc2c1C[NH2+]Cc1ccc(C[NH+]2CCCC2)cc1 ZINC000290551030 426791681 /nfs/dbraw/zinc/79/16/81/426791681.db2.gz AWVXXMZQCKCSPZ-UHFFFAOYSA-N 2 0 321.428 2.844 20 0 DFADRP C[N@H+](CCO)C1CC[NH+]([C@@H]2CC[C@@](C)(c3ccccc3)C2)CC1 ZINC000275785448 426918436 /nfs/dbraw/zinc/91/84/36/426918436.db2.gz YCJHPMHHBWABET-WOJBJXKFSA-N 2 0 316.489 2.885 20 0 DFADRP C[N@H+](CCO)C1CC[NH+]([C@H]2CC[C@@](C)(c3ccccc3)C2)CC1 ZINC000275785446 426919717 /nfs/dbraw/zinc/91/97/17/426919717.db2.gz YCJHPMHHBWABET-VQTJNVASSA-N 2 0 316.489 2.885 20 0 DFADRP C[C@H](CCc1ccccc1)[NH2+]CCN1CC[N@H+](C)C(C)(C)C1 ZINC000282236218 426860570 /nfs/dbraw/zinc/86/05/70/426860570.db2.gz IUSXJDPWEQMXGP-QGZVFWFLSA-N 2 0 303.494 2.623 20 0 DFADRP Cc1ccc2c(c1)[C@H]([NH2+]CC1CC[NH+](CCO)CC1)[C@H](C)C2 ZINC000180486474 426863852 /nfs/dbraw/zinc/86/38/52/426863852.db2.gz AIBLBJUZSCTQHF-DNVCBOLYSA-N 2 0 302.462 2.522 20 0 DFADRP CCC[N@@H+]1CC[C@@H](C[NH2+]Cc2ccc(-c3cnn(C)c3)s2)C1 ZINC000282293554 426874507 /nfs/dbraw/zinc/87/45/07/426874507.db2.gz QQOUOYFKSBSWPC-AWEZNQCLSA-N 2 0 318.490 2.970 20 0 DFADRP C[C@H](O)C[C@H](C[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccccc1 ZINC000305272967 426906564 /nfs/dbraw/zinc/90/65/64/426906564.db2.gz AJSFBQOEFUODLU-WZGPROSRSA-N 2 0 302.462 2.758 20 0 DFADRP C[C@@H](C[NH2+][C@@H]1C[C@@H](C)[N@H+](C)C[C@H]1C)N1CCc2ccccc21 ZINC000247169307 426911605 /nfs/dbraw/zinc/91/16/05/426911605.db2.gz YKXCVOJUKJMIDS-XLMAVXFVSA-N 2 0 301.478 2.756 20 0 DFADRP CC(C)(C)OC1CC([NH2+]C2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)C1 ZINC000305866831 426912871 /nfs/dbraw/zinc/91/28/71/426912871.db2.gz ZVYGECHYPIKLLM-HIEASXQVSA-N 2 0 324.509 2.690 20 0 DFADRP CCC(CC)C(=O)N1CCC([NH2+][C@@H]2CC[N@H+](CC)C[C@H]2C)CC1 ZINC000247189136 426912986 /nfs/dbraw/zinc/91/29/86/426912986.db2.gz VQKMTFKOQQYMSW-CRAIPNDOSA-N 2 0 323.525 2.734 20 0 DFADRP CCC[C@@H](O)C[N@@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000295418328 426952615 /nfs/dbraw/zinc/95/26/15/426952615.db2.gz XXZKJIUYAPFNAY-RTBURBONSA-N 2 0 302.462 2.745 20 0 DFADRP COc1cc2c(cc1CN(C)CC[C@H]([NH3+])C(C)C)O[C@@H](C)C2 ZINC000317141037 426955722 /nfs/dbraw/zinc/95/57/22/426955722.db2.gz KBUXVUDXZBNOHN-BBRMVZONSA-N 2 0 306.450 2.824 20 0 DFADRP CC[N@@H+]1CC[C@H](NC[C@@H](c2ccco2)[NH+]2CCCC2)[C@@H](C)C1 ZINC000248049248 426974041 /nfs/dbraw/zinc/97/40/41/426974041.db2.gz VVWAOTHNHAUGER-ULQDDVLXSA-N 2 0 305.466 2.736 20 0 DFADRP CCO[C@@H]1C[C@@H]([NH2+]C2CC[NH+](CCCOC)CC2)C12CCCC2 ZINC000181660816 426974610 /nfs/dbraw/zinc/97/46/10/426974610.db2.gz GSLTYHMONIEKDD-QZTJIDSGSA-N 2 0 324.509 2.815 20 0 DFADRP CC[N@@H+]1CC[C@H]([NH2+][C@H]2CCCN(c3ccccc3)C2)[C@@H](C)C1 ZINC000248199647 426986511 /nfs/dbraw/zinc/98/65/11/426986511.db2.gz YFNVEPIXJAMATC-LNLFQRSKSA-N 2 0 301.478 2.975 20 0 DFADRP CC(C)[N@@H+]1CCC[C@H](CNC(=O)c2sccc2C[NH+](C)C)C1 ZINC000268172188 426937464 /nfs/dbraw/zinc/93/74/64/426937464.db2.gz VAWBLUTVVGGUJD-CQSZACIVSA-N 2 0 323.506 2.660 20 0 DFADRP CC[C@]1(C)CN(C/C=C/C[N@@H+]2CCO[C@](C)(CC)C2)CCO1 ZINC000248884862 427057724 /nfs/dbraw/zinc/05/77/24/427057724.db2.gz DSCVMPRMTDODIW-HNGSOEQISA-N 2 0 310.482 2.544 20 0 DFADRP CCOC(=O)[C@@](C)(C[NH2+]C1CC[NH+](CC)CC1)c1ccccc1 ZINC000276200450 427006044 /nfs/dbraw/zinc/00/60/44/427006044.db2.gz NNQGCLOSMZAZBN-IBGZPJMESA-N 2 0 318.461 2.581 20 0 DFADRP C[N@H+](CC[C@H]1CCCC[NH+]1C)C[C@@H](O)CCc1ccccc1 ZINC000248574102 427015383 /nfs/dbraw/zinc/01/53/83/427015383.db2.gz MXAVQSKWJKYEJR-MOPGFXCFSA-N 2 0 304.478 2.786 20 0 DFADRP CC(C)Oc1cccc(C[NH2+]CC2(O)CC[NH+](C(C)C)CC2)c1 ZINC000268449554 427020831 /nfs/dbraw/zinc/02/08/31/427020831.db2.gz VTNOBQBBBVHFJK-UHFFFAOYSA-N 2 0 320.477 2.799 20 0 DFADRP CCOC(=O)[C@@H](CC(C)C)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000182184117 427021493 /nfs/dbraw/zinc/02/14/93/427021493.db2.gz DYJSUIIZGAPEBR-DLBZAZTESA-N 2 0 310.482 2.915 20 0 DFADRP Cc1cc(C)c(C[NH2+]CC2(O)CC[NH+](C(C)C)CC2)cc1C ZINC000268461784 427024333 /nfs/dbraw/zinc/02/43/33/427024333.db2.gz ZOPZLBFUOYSMBQ-UHFFFAOYSA-N 2 0 304.478 2.937 20 0 DFADRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+]Cc1ccc([C@@H]2C[C@H]2C)o1 ZINC000248648529 427026702 /nfs/dbraw/zinc/02/67/02/427026702.db2.gz UTDMZBCDXWSUGC-BFYDXBDKSA-N 2 0 305.466 2.519 20 0 DFADRP C[C@@H]1C[C@@H](C)C[NH+](CCC[NH2+][C@H]2[C@H]3CCO[C@H]3C23CCC3)C1 ZINC000248737798 427037894 /nfs/dbraw/zinc/03/78/94/427037894.db2.gz OZWVFRDXBJXSTR-HSFUPAIVSA-N 2 0 306.494 2.902 20 0 DFADRP CC[N@H+](C)C[C@@H]1CC[NH+](CCCc2ccc3c(c2)CCO3)C1 ZINC000190204923 427045075 /nfs/dbraw/zinc/04/50/75/427045075.db2.gz AUUARJKTSVQUMZ-KRWDZBQOSA-N 2 0 302.462 2.828 20 0 DFADRP CC[N@H+](C)C[C@H]1CC[NH+](CCCc2ccc3c(c2)CCO3)C1 ZINC000190204945 427045301 /nfs/dbraw/zinc/04/53/01/427045301.db2.gz AUUARJKTSVQUMZ-QGZVFWFLSA-N 2 0 302.462 2.828 20 0 DFADRP Cc1cccc(NC[C@H]2CC[NH+](CC[C@@H]3CCCC[N@H+]3C)C2)n1 ZINC000268563079 427054368 /nfs/dbraw/zinc/05/43/68/427054368.db2.gz POHGNDKYBAEOSN-MSOLQXFVSA-N 2 0 316.493 2.998 20 0 DFADRP C([C@@H]1CC[N@@H+](CC2CCC3(CC2)OCCO3)C1)[NH+]1CCCCC1 ZINC000190251912 427054522 /nfs/dbraw/zinc/05/45/22/427054522.db2.gz BGDULTZUWZSBBV-SFHVURJKSA-N 2 0 322.493 2.728 20 0 DFADRP OC[C@@H]1CCC[N@@H+]1CCCC[NH2+][C@@H]1CCCNc2ccccc21 ZINC000248994772 427073233 /nfs/dbraw/zinc/07/32/33/427073233.db2.gz OOTONAPVHLGERK-QFBILLFUSA-N 2 0 317.477 2.760 20 0 DFADRP CC(C)(C)OC(=O)NCCC[N@@H+]1CCC[C@@H](c2ncc[nH]2)C1 ZINC000276470027 427075918 /nfs/dbraw/zinc/07/59/18/427075918.db2.gz QFMWBKJLIAZQET-CYBMUJFWSA-N 2 0 308.426 2.504 20 0 DFADRP CC(C)(C)OC(=O)NCCC[N@@H+]1CCC[C@H](c2ncc[nH]2)C1 ZINC000276470030 427077481 /nfs/dbraw/zinc/07/74/81/427077481.db2.gz QFMWBKJLIAZQET-ZDUSSCGKSA-N 2 0 308.426 2.504 20 0 DFADRP C[C@@H](C(=O)NCc1ccccc1C[N@@H+]1CCCC[C@@H]1C)[C@H](C)[NH3+] ZINC000249070584 427083449 /nfs/dbraw/zinc/08/34/49/427083449.db2.gz QHELQHLETSKYQJ-XHSDSOJGSA-N 2 0 317.477 2.661 20 0 DFADRP O[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+][C@@H]2CC[C@H]2C2CCC2)CC1 ZINC000338002039 427087595 /nfs/dbraw/zinc/08/75/95/427087595.db2.gz SSMRLEAMFYSPED-ZSYWTGECSA-N 2 0 306.494 2.923 20 0 DFADRP COCCC[NH+]1CCC([NH2+][C@H]2CCC[C@@H]2CCCF)CC1 ZINC000338003431 427088209 /nfs/dbraw/zinc/08/82/09/427088209.db2.gz WIVHSYDZVUPEHW-WBVHZDCISA-N 2 0 300.462 2.995 20 0 DFADRP CCN(CC)CC[NH2+][C@@H](C)c1ccc(OCC[NH+](C)C)cc1 ZINC000268694524 427093898 /nfs/dbraw/zinc/09/38/98/427093898.db2.gz BDQUXYLAHRJRHF-INIZCTEOSA-N 2 0 307.482 2.619 20 0 DFADRP COC[C@@H]([NH2+]CCCC[N@@H+]1CCC[C@H](C)C1)C1CCOCC1 ZINC000249190471 427095411 /nfs/dbraw/zinc/09/54/11/427095411.db2.gz NSKWVSUFFFWJOJ-FUHWJXTLSA-N 2 0 312.498 2.530 20 0 DFADRP C[C@H](C[NH2+][C@@H]1CCC[C@@H](C(F)(F)F)C1)CN1CC[NH+](C)CC1 ZINC000249406102 427113197 /nfs/dbraw/zinc/11/31/97/427113197.db2.gz WPHVRJXZBSCXKE-RBSFLKMASA-N 2 0 321.431 2.581 20 0 DFADRP COC(=O)c1ccc(Cl)c(CN2CC[C@@]3(CC[N@H+](C)C3)C2)c1 ZINC000292169458 427117567 /nfs/dbraw/zinc/11/75/67/427117567.db2.gz PNKHTBUAEFVNCA-QGZVFWFLSA-N 2 0 322.836 2.654 20 0 DFADRP CC[NH+](CC)CCC[C@@H](C)NC(=O)c1ccc2c[nH+]cn2c1 ZINC000284020395 427118222 /nfs/dbraw/zinc/11/82/22/427118222.db2.gz NSYFZHQAAAONBO-CQSZACIVSA-N 2 0 302.422 2.575 20 0 DFADRP CC[C@H]([NH2+]CCC[N@H+](C)CCOC)c1ccc(OC)c(OC)c1 ZINC000268794530 427118789 /nfs/dbraw/zinc/11/87/89/427118789.db2.gz FLVDWYJKFLFCRI-INIZCTEOSA-N 2 0 324.465 2.713 20 0 DFADRP CC[C@@H]([NH2+]CCC[N@H+](C)CCOC)c1ccc(OC)c(OC)c1 ZINC000268794532 427119567 /nfs/dbraw/zinc/11/95/67/427119567.db2.gz FLVDWYJKFLFCRI-MRXNPFEDSA-N 2 0 324.465 2.713 20 0 DFADRP C[C@@H](C(=O)NCC1([NH+](C)C)CCCCC1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000338058195 427121481 /nfs/dbraw/zinc/12/14/81/427121481.db2.gz KNCKQBKCTDNSCX-XHSDSOJGSA-N 2 0 309.498 2.628 20 0 DFADRP C[C@@H]([NH2+]C[C@H]1CCCCO1)c1ccc(OCC[NH+](C)C)cc1 ZINC000268809360 427125135 /nfs/dbraw/zinc/12/51/35/427125135.db2.gz NLOIJTUXTCILTE-CRAIPNDOSA-N 2 0 306.450 2.847 20 0 DFADRP OC[C@H]1CCC[N@@H+]1CCCC[NH2+][C@H]1CCCOc2ccccc21 ZINC000268966866 427141446 /nfs/dbraw/zinc/14/14/46/427141446.db2.gz YPNUNSOHHXCEJZ-AEFFLSMTSA-N 2 0 318.461 2.727 20 0 DFADRP C[C@H]([NH2+][C@H]1CCC[C@H]1CCO)c1ccc(OCC[NH+](C)C)cc1 ZINC000249881467 427151503 /nfs/dbraw/zinc/15/15/03/427151503.db2.gz HTACPYMTRKDKFY-IEZWGBDMSA-N 2 0 320.477 2.829 20 0 DFADRP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCC1(O)CCC1 ZINC000284243697 427163521 /nfs/dbraw/zinc/16/35/21/427163521.db2.gz FFFFBTRGESLWSP-FUHWJXTLSA-N 2 0 302.462 2.792 20 0 DFADRP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCC1(O)CCC1 ZINC000284243703 427162551 /nfs/dbraw/zinc/16/25/51/427162551.db2.gz FFFFBTRGESLWSP-WMZOPIPTSA-N 2 0 302.462 2.792 20 0 DFADRP Cc1ccccc1[C@H]([NH3+])C(=O)NCCCC[N@H+]1CCCC[C@@H]1C ZINC000296383413 427162996 /nfs/dbraw/zinc/16/29/96/427162996.db2.gz KOVRIKZCOVZBGR-WMZOPIPTSA-N 2 0 317.477 2.766 20 0 DFADRP CCCC[NH+]1CCC([NH2+]CCCNC(=O)OC(C)(C)C)CC1 ZINC000227408676 271235902 /nfs/dbraw/zinc/23/59/02/271235902.db2.gz ZBAVPISWNVQLIM-UHFFFAOYSA-N 2 0 313.486 2.755 20 0 DFADRP C[C@@H](CC[NH+](C)C)[NH2+][C@H]1CCCN(C(=O)OC(C)(C)C)CC1 ZINC000227259319 271235914 /nfs/dbraw/zinc/23/59/14/271235914.db2.gz PXCWVVTXADGYSE-GJZGRUSLSA-N 2 0 313.486 2.706 20 0 DFADRP C[C@H]1C[C@H]([NH2+]CC2(NC(=O)OC(C)(C)C)CCC2)CC[N@@H+]1C ZINC000230406490 271238031 /nfs/dbraw/zinc/23/80/31/271238031.db2.gz GFEZCKBHLUDBQD-UONOGXRCSA-N 2 0 311.470 2.506 20 0 DFADRP CC[NH+](CC)[C@H](C(=O)NCC1([NH3+])CCCCC1)c1ccccc1 ZINC000236864821 271240556 /nfs/dbraw/zinc/24/05/56/271240556.db2.gz YVNNQGPZSASWQY-KRWDZBQOSA-N 2 0 317.477 2.847 20 0 DFADRP C[C@H]1CCC[N@H+](Cc2ccccc2CNC(=O)C(C)(C)C[NH3+])C1 ZINC000237503532 271248578 /nfs/dbraw/zinc/24/85/78/271248578.db2.gz WTJBOOIZZJDVMK-HNNXBMFYSA-N 2 0 317.477 2.520 20 0 DFADRP [NH3+][C@@H]1CCCCCC[C@H]1C(=O)N1CCC(C[NH+]2CCCC2)CC1 ZINC000237883650 271254813 /nfs/dbraw/zinc/25/48/13/271254813.db2.gz PIBACYKCWSAUTP-QZTJIDSGSA-N 2 0 321.509 2.619 20 0 DFADRP C[NH+]1CCC([C@@H]2CC[N@H+](Cc3cccc4c3OCCO4)C2)CC1 ZINC000270473616 271293250 /nfs/dbraw/zinc/29/32/50/271293250.db2.gz NKHZKRLDYKXWRN-MRXNPFEDSA-N 2 0 316.445 2.622 20 0 DFADRP C[C@@H]1C[C@@H]([NH2+]C2CCC3(CC2)c2ccccc2NC3=O)CC[NH2+]1 ZINC000333344102 271371394 /nfs/dbraw/zinc/37/13/94/271371394.db2.gz YUTKJOFFOQOZEU-XNDRKVBMSA-N 2 0 313.445 2.549 20 0 DFADRP Cc1cc(C)c(C[N@H+](C)CCCN2CC[NH+](C)CC2)c(C)c1 ZINC000182959274 427175867 /nfs/dbraw/zinc/17/58/67/427175867.db2.gz HHQRRWOVQVOODQ-UHFFFAOYSA-N 2 0 303.494 2.681 20 0 DFADRP C/C(=C\c1ccc(Cl)cc1)C[NH2+]CC1(O)CC[NH+](C)CC1 ZINC000338177809 427176024 /nfs/dbraw/zinc/17/60/24/427176024.db2.gz CFVWGWQQHYKCHD-SDNWHVSQSA-N 2 0 308.853 2.790 20 0 DFADRP CC[NH+](CC)Cc1ccc(C(=O)NCC[N@H+](C)C(C)C)cc1 ZINC000338183705 427176907 /nfs/dbraw/zinc/17/69/07/427176907.db2.gz ARSQWXYUEMADMJ-UHFFFAOYSA-N 2 0 305.466 2.598 20 0 DFADRP CC[NH+](CC)Cc1ccc(C(=O)N[C@@H]2CCC[N@H+](C)[C@H]2C)cc1 ZINC000338183122 427178868 /nfs/dbraw/zinc/17/88/68/427178868.db2.gz ACSCFYJUQZPPCB-MAUKXSAKSA-N 2 0 317.477 2.741 20 0 DFADRP c1ccc([C@@H]2OCC[C@H]2C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000253336061 427199647 /nfs/dbraw/zinc/19/96/47/427199647.db2.gz HWUKPECPGOSWPY-VJANTYMQSA-N 2 0 300.446 2.981 20 0 DFADRP COc1ccc(C[NH2+]CCCC[NH+](C)C)c(Br)c1 ZINC000285600103 427284749 /nfs/dbraw/zinc/28/47/49/427284749.db2.gz YGFRTFPHLAQFPR-UHFFFAOYSA-N 2 0 315.255 2.889 20 0 DFADRP CC(C)[NH+]1CCC(N2CC[NH+](CCc3ccccc3)CC2)CC1 ZINC000269629219 427234105 /nfs/dbraw/zinc/23/41/05/427234105.db2.gz HBIDKUKUGRFJCV-UHFFFAOYSA-N 2 0 315.505 2.720 20 0 DFADRP C(CO[C@H]1CCCCO1)C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000338285695 427234144 /nfs/dbraw/zinc/23/41/44/427234144.db2.gz KIQHRXUOTCYKOB-WDSOQIARSA-N 2 0 322.493 2.868 20 0 DFADRP Cc1cccc(C[N@@H+]2CCC[C@@H](CN3CCOCC3)C2)c1F ZINC000296853608 427252800 /nfs/dbraw/zinc/25/28/00/427252800.db2.gz OTWOWAFHFYQRKS-INIZCTEOSA-N 2 0 306.425 2.678 20 0 DFADRP C[C@H]([NH2+]CCC1CC[NH+](C)CC1)c1ccccc1-n1ccnn1 ZINC000285508146 427256497 /nfs/dbraw/zinc/25/64/97/427256497.db2.gz AMNQYCSZNBEPIP-HNNXBMFYSA-N 2 0 313.449 2.650 20 0 DFADRP C[N@@H+]1CC[C@@H](NC(=O)c2ccc3c[nH+]cn3c2)[C@H]1c1ccccc1 ZINC000285536035 427263199 /nfs/dbraw/zinc/26/31/99/427263199.db2.gz HQRPXCXZTQCVFD-QZTJIDSGSA-N 2 0 320.396 2.510 20 0 DFADRP CCC(CC)(CNC(=O)[C@H](C)C[NH3+])[NH2+][C@@H](C)c1ccccc1 ZINC000285712893 427317133 /nfs/dbraw/zinc/31/71/33/427317133.db2.gz DLFXTQQVWBXYBX-CABCVRRESA-N 2 0 305.466 2.607 20 0 DFADRP CCCCOCC[NH+]1CCC(C[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000338940914 271622954 /nfs/dbraw/zinc/62/29/54/271622954.db2.gz ZMIDIDWKMGAXLQ-IRXDYDNUSA-N 2 0 312.498 2.624 20 0 DFADRP CC(C)[NH+]1CCC(N(C)Cc2c[nH]nc2-c2cccnc2)CC1 ZINC000271038510 427383182 /nfs/dbraw/zinc/38/31/82/427383182.db2.gz LENXBXVMIMZIRF-UHFFFAOYSA-N 2 0 313.449 2.776 20 0 DFADRP COC(=O)C(C)(C)CC[NH2+][C@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000338571939 427389820 /nfs/dbraw/zinc/38/98/20/427389820.db2.gz NSAJQMMCEPEJOL-CABCVRRESA-N 2 0 310.482 2.818 20 0 DFADRP CCC[C@](C)([NH3+])C(=O)Nc1cc(C[NH3+])cc(C(F)(F)F)c1 ZINC000263073105 427406712 /nfs/dbraw/zinc/40/67/12/427406712.db2.gz ZXTGHIZMBRKLRR-ZDUSSCGKSA-N 2 0 303.328 2.620 20 0 DFADRP Clc1ccc(C2([NH2+]CC3CC[NH2+]CC3)CCOCC2)cc1 ZINC000262272334 427354223 /nfs/dbraw/zinc/35/42/23/427354223.db2.gz SPBQNCJJAODQBY-UHFFFAOYSA-N 2 0 308.853 2.935 20 0 DFADRP COC(=O)c1ccc(C[N@@H+]2CC[C@H](C3CC[NH+](C)CC3)C2)cc1 ZINC000270428586 427354833 /nfs/dbraw/zinc/35/48/33/427354833.db2.gz HLWBJOHQNQFSCO-SFHVURJKSA-N 2 0 316.445 2.637 20 0 DFADRP CC[N@H+](CCCN1CC[NH+](C(C)C)CC1)CCc1ccccc1 ZINC000191448635 427354993 /nfs/dbraw/zinc/35/49/93/427354993.db2.gz DLIVGVQXZKSECK-UHFFFAOYSA-N 2 0 317.521 2.967 20 0 DFADRP CC[NH+](CC)CCCN1CCC(c2nnc3ccccn32)CC1 ZINC000191492131 427361046 /nfs/dbraw/zinc/36/10/46/427361046.db2.gz UKMDWNBQIVFDHK-UHFFFAOYSA-N 2 0 315.465 2.641 20 0 DFADRP CCCc1ccc2[nH+]ccc(N3CCC[N@H+](CCO)CC3)c2c1 ZINC000297219612 427364127 /nfs/dbraw/zinc/36/41/27/427364127.db2.gz SRNKYPOUWJTMOL-UHFFFAOYSA-N 2 0 313.445 2.692 20 0 DFADRP CCC[C@H]([NH3+])C(=O)N(C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000262682776 427366761 /nfs/dbraw/zinc/36/67/61/427366761.db2.gz YLYLABWWYKGKJT-NXHRZFHOSA-N 2 0 317.477 2.625 20 0 DFADRP Cc1nccn1CC[N@@H+]1C[C@H](c2ccccc2)[C@H]2COCC[C@@H]21 ZINC000286178761 427447796 /nfs/dbraw/zinc/44/77/96/427447796.db2.gz XBAFLDCNOIAEPD-QRVBRYPASA-N 2 0 311.429 2.696 20 0 DFADRP C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000263293987 427455069 /nfs/dbraw/zinc/45/50/69/427455069.db2.gz XJEQGDPOKGUDBK-MGNMYUMUSA-N 2 0 321.509 2.534 20 0 DFADRP O=C(Nc1ccc(C[NH+]2CCCC2)cc1)[C@H]1CCC[N@@H+]1C1CC1 ZINC000278809453 427460709 /nfs/dbraw/zinc/46/07/09/427460709.db2.gz ZHABHYDIHNUZJV-GOSISDBHSA-N 2 0 313.445 2.848 20 0 DFADRP C[C@H]1OCC[C@H]1[NH2+][C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000293872099 427471417 /nfs/dbraw/zinc/47/14/17/427471417.db2.gz YGCPONLMJIQDKU-QFACEVIFSA-N 2 0 300.446 2.664 20 0 DFADRP COCCCOCC[N@H+](C)Cc1ccc(-n2ccnc2)cc1C ZINC000192145873 427488784 /nfs/dbraw/zinc/48/87/84/427488784.db2.gz ULVVVEDQVJKUNW-UHFFFAOYSA-N 2 0 317.433 2.666 20 0 DFADRP [NH3+]CC[C@H]1CCCCN1C(=O)c1cccc(C[NH+]2CCCC2)c1 ZINC000286280154 427478832 /nfs/dbraw/zinc/47/88/32/427478832.db2.gz WLPKCYXZPKFAKO-GOSISDBHSA-N 2 0 315.461 2.626 20 0 DFADRP C[C@@H]1CCC[C@@H]([NH+]2CCC([NH2+][C@H]3CCC(=O)NC3(C)C)CC2)C1 ZINC000338774907 427479319 /nfs/dbraw/zinc/47/93/19/427479319.db2.gz LQGZNRBLUHFJLB-OIISXLGYSA-N 2 0 321.509 2.676 20 0 DFADRP C[C@@H]([NH3+])[C@@H](C)C(=O)Nc1ccc(C[NH+]2CCC(C)CC2)cc1 ZINC000192093973 427480447 /nfs/dbraw/zinc/48/04/47/427480447.db2.gz ICLBTNPJFVFSHC-HUUCEWRRSA-N 2 0 303.450 2.840 20 0 DFADRP C[C@@H]([NH3+])[C@H](C)C(=O)NCc1ccc(C[NH+]2CCC(C)CC2)cc1 ZINC000192094008 427480945 /nfs/dbraw/zinc/48/09/45/427480945.db2.gz RFMIJXPEPRKSPH-JKSUJKDBSA-N 2 0 317.477 2.518 20 0 DFADRP CCC[N@@H+]1CC[C@H](C[NH2+][C@@H](C)c2ccccc2-n2ccnn2)C1 ZINC000286297486 427483376 /nfs/dbraw/zinc/48/33/76/427483376.db2.gz WNHZCXDALLDVPZ-JKSUJKDBSA-N 2 0 313.449 2.650 20 0 DFADRP C[C@@H]([NH2+]C[C@@H](O)C[NH+]1CCC(C)CC1)[C@H]1C[C@@H]1c1ccccc1 ZINC000338783716 427484737 /nfs/dbraw/zinc/48/47/37/427484737.db2.gz HCCBNNVMFNOLQW-VBSBHUPXSA-N 2 0 316.489 2.861 20 0 DFADRP CC[C@H](C)C[NH+]1CCN([C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000286086332 427420384 /nfs/dbraw/zinc/42/03/84/427420384.db2.gz SPDVDIPHJWXIFX-ICSRJNTNSA-N 2 0 315.505 2.925 20 0 DFADRP CC[C@@H](C)C[NH+]1CCN([C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000286086339 427421153 /nfs/dbraw/zinc/42/11/53/427421153.db2.gz SPDVDIPHJWXIFX-UYAOXDASSA-N 2 0 315.505 2.925 20 0 DFADRP C[C@H]([NH2+][C@H]1CCC[C@H]([NH+](C)C)C1)c1ccc2c(c1)OCC(=O)N2 ZINC000286098073 427422865 /nfs/dbraw/zinc/42/28/65/427422865.db2.gz NBXYNZASPHXSEN-QEJZJMRPSA-N 2 0 317.433 2.541 20 0 DFADRP CO[C@H](C[NH2+][C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21)C1CC1 ZINC000293754008 427426417 /nfs/dbraw/zinc/42/64/17/427426417.db2.gz QPFYLSAVAXFFFF-MTQWCTHYSA-N 2 0 314.473 2.912 20 0 DFADRP COc1ccc(C[N@H+](C)CC2CC[NH+](C[C@H](C)O)CC2)cc1C ZINC000271167080 427428760 /nfs/dbraw/zinc/42/87/60/427428760.db2.gz NVDCLCDWJCAFCW-INIZCTEOSA-N 2 0 320.477 2.528 20 0 DFADRP C[NH+]1CCC([C@H]2CCN(Cc3c(F)ccc(O)c3F)C2)CC1 ZINC000293779298 427432419 /nfs/dbraw/zinc/43/24/19/427432419.db2.gz BRSYYGRUKXRSRM-ZDUSSCGKSA-N 2 0 310.388 2.834 20 0 DFADRP COCCC1(C[NH2+]C2CCN(c3cc[nH+]cc3)CC2)CCC1 ZINC000297737054 427440618 /nfs/dbraw/zinc/44/06/18/427440618.db2.gz SSSKRVDPJTWNNC-UHFFFAOYSA-N 2 0 303.450 2.847 20 0 DFADRP C[C@@H](CN[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)C[NH+](C)C ZINC000293805720 427442951 /nfs/dbraw/zinc/44/29/51/427442951.db2.gz VHXJBYPSSQKAJB-FFGOWVMKSA-N 3 0 315.505 2.969 20 0 DFADRP C[C@H](C[NH2+][C@H](C)[C@@H]1C[C@H]1c1ccccc1)CN1CC[NH+](C)CC1 ZINC000338795532 427494993 /nfs/dbraw/zinc/49/49/93/427494993.db2.gz SCRLBOJZNFQLKF-JYBIWHBTSA-N 2 0 315.505 2.652 20 0 DFADRP COc1ccc(F)c(C[N@@H+]2CC[C@H](C3CC[NH+](C)CC3)C2)c1 ZINC000293957482 427502071 /nfs/dbraw/zinc/50/20/71/427502071.db2.gz PPCOMVIGXYDSHP-HNNXBMFYSA-N 2 0 306.425 2.998 20 0 DFADRP C[C@H]([NH2+]C1CC[NH+]([C@@H]2CCC[C@H]2O)CC1)c1cccc(F)c1 ZINC000271440598 427538226 /nfs/dbraw/zinc/53/82/26/427538226.db2.gz CGSKCVBMIKWVRJ-MORSLUCNSA-N 2 0 306.425 2.854 20 0 DFADRP C[C@@H](CO)CCC[NH2+][C@@H](C)c1ccc(OCC[NH+](C)C)cc1 ZINC000271454707 427545160 /nfs/dbraw/zinc/54/51/60/427545160.db2.gz GPCDTYGANXYFKT-CVEARBPZSA-N 2 0 308.466 2.686 20 0 DFADRP CC[NH+](CC)CCOc1ccccc1C[NH2+][C@@H]1CCOC[C@H]1C ZINC000192479552 427547295 /nfs/dbraw/zinc/54/72/95/427547295.db2.gz TVFHCHWAPZPIOA-SJLPKXTDSA-N 2 0 320.477 2.922 20 0 DFADRP CC(C)[NH+]1CCC(N[C@@H](C[NH+](C)C)c2ccc(F)cc2)CC1 ZINC000286973849 427549137 /nfs/dbraw/zinc/54/91/37/427549137.db2.gz IQQWYPSYHYINKH-SFHVURJKSA-N 2 0 307.457 2.891 20 0 DFADRP c1ccc(C[N@H+]2CC[C@@H](N3CC[C@@H](C[NH+]4CCCC4)C3)C2)cc1 ZINC000271470972 427553712 /nfs/dbraw/zinc/55/37/12/427553712.db2.gz YYBFGNKKVBNROG-VQTJNVASSA-N 2 0 313.489 2.679 20 0 DFADRP Cc1ccnc([C@@H](C)[NH2+]C2CCN(C3CC[NH+](C)CC3)CC2)c1 ZINC000286314754 427489217 /nfs/dbraw/zinc/48/92/17/427489217.db2.gz XJJXGHDWPPVTKA-MRXNPFEDSA-N 2 0 316.493 2.599 20 0 DFADRP CC[N@@H+]1CC[C@@H](C[NH2+][C@H](C)c2cc3c(C)nn(C)c3s2)C1 ZINC000287259544 427562161 /nfs/dbraw/zinc/56/21/61/427562161.db2.gz AIULONCJUKTLAJ-OLZOCXBDSA-N 2 0 306.479 2.936 20 0 DFADRP C[C@H](O)CCC[NH2+][C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000279152013 427575701 /nfs/dbraw/zinc/57/57/01/427575701.db2.gz SUDBMAKMYOLBOF-DSLXNQLJSA-N 2 0 302.462 2.648 20 0 DFADRP Cn1cc(-c2ccc(C[NH+]3CCC(C[NH+](C)C)CC3)s2)cn1 ZINC000338947304 427582384 /nfs/dbraw/zinc/58/23/84/427582384.db2.gz HTAORMLVQGWJLU-UHFFFAOYSA-N 2 0 318.490 2.922 20 0 DFADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]Cc1ccc(N2CCCC2=O)cc1 ZINC000192702273 427588264 /nfs/dbraw/zinc/58/82/64/427588264.db2.gz RCYHNKUVWSJPOP-RKVPGOIHSA-N 2 0 315.461 2.632 20 0 DFADRP CC[N@@H+]1CC[C@H]([NH+](C)C[C@H](O)Cc2ccc(F)cc2)C[C@H]1C ZINC000339009698 427623451 /nfs/dbraw/zinc/62/34/51/427623451.db2.gz GKXCITQSJHMAEP-FHLIZLRMSA-N 2 0 308.441 2.534 20 0 DFADRP C[NH+](C)[C@@H](CNC1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1ccc(F)cc1 ZINC000192703031 427592923 /nfs/dbraw/zinc/59/29/23/427592923.db2.gz QGKJLSOVYJDHPW-FBVQUNGASA-N 2 0 305.441 2.643 20 0 DFADRP C[C@@H]1C[C@H]([NH2+]CC2=CC[NH+](C)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000271912238 427594682 /nfs/dbraw/zinc/59/46/82/427594682.db2.gz YCAGWXHXFWYDGJ-YLJYHZDGSA-N 3 0 313.489 2.891 20 0 DFADRP CN(CC[NH2+]C1CCN(c2cc[nH+]cc2)CC1)c1ccccc1 ZINC000294238146 427595049 /nfs/dbraw/zinc/59/50/49/427595049.db2.gz OYIMJPAJRIIAFE-UHFFFAOYSA-N 2 0 310.445 2.776 20 0 DFADRP COC1(CC[NH+]2CCC(OCC[NH+]3CCCC3)CC2)CCC1 ZINC000339012101 427626229 /nfs/dbraw/zinc/62/62/29/427626229.db2.gz XRXYJNSGCUQSEO-UHFFFAOYSA-N 2 0 310.482 2.522 20 0 DFADRP c1cn2c(cccc2C[NH2+]C[C@H]2CC[N@H+](Cc3ccccc3)C2)n1 ZINC000192925401 427635686 /nfs/dbraw/zinc/63/56/86/427635686.db2.gz DWRQHQQJLLGPKT-GOSISDBHSA-N 3 0 320.440 2.946 20 0 DFADRP C[C@H]([NH2+][C@@H]1CCC[C@@H]([NH+](C)C)C1)c1cccc(-n2ccnn2)c1 ZINC000287558212 427637389 /nfs/dbraw/zinc/63/73/89/427637389.db2.gz GBOQQIKZGJHYKV-USXIJHARSA-N 2 0 313.449 2.791 20 0 DFADRP O[C@@H](C[NH2+]C1CCN(c2cc[nH+]cc2)CC1)C1CCCCC1 ZINC000298522150 427638430 /nfs/dbraw/zinc/63/84/30/427638430.db2.gz RMWAPLYYLZVXJO-SFHVURJKSA-N 2 0 303.450 2.581 20 0 DFADRP CCN1CC[NH+](CCCC[NH2+]CCc2cccc(Cl)c2)CC1 ZINC000298547065 427644971 /nfs/dbraw/zinc/64/49/71/427644971.db2.gz UFHQDPKNJIKJAQ-UHFFFAOYSA-N 2 0 323.912 2.890 20 0 DFADRP COc1cccc(OCCC[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)c1 ZINC000193003695 427649777 /nfs/dbraw/zinc/64/97/77/427649777.db2.gz FGFREVSQKPFMFX-MQVJKMGUSA-N 2 0 304.434 2.679 20 0 DFADRP CCC[NH2+][C@@H](C)C(=O)NCc1ccccc1C[NH+](CC)CC ZINC000294763156 427657160 /nfs/dbraw/zinc/65/71/60/427657160.db2.gz LWQYAZMYPGHDAW-HNNXBMFYSA-N 2 0 305.466 2.533 20 0 DFADRP c1cn(-c2ccccc2)nc1CC[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000339065914 427657203 /nfs/dbraw/zinc/65/72/03/427657203.db2.gz DSORNKDAJMCRQE-MJGOQNOKSA-N 2 0 310.445 2.631 20 0 DFADRP c1cn(-c2ccccc2)nc1CC[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000339065913 427658780 /nfs/dbraw/zinc/65/87/80/427658780.db2.gz DSORNKDAJMCRQE-IEBWSBKVSA-N 2 0 310.445 2.631 20 0 DFADRP COc1ccc(C[C@H](C)C[NH2+]CCCn2ccnc2)cc1F ZINC000185265833 427624623 /nfs/dbraw/zinc/62/46/23/427624623.db2.gz GZERRSHQBLFLNO-AWEZNQCLSA-N 2 0 305.397 2.889 20 0 DFADRP C[C@H](O)C[N@H+](C)C1CCN(C[C@@H]2CCC3(CCCCC3)O2)CC1 ZINC000342628326 272033284 /nfs/dbraw/zinc/03/32/84/272033284.db2.gz FXXIRLKNPVVKQD-WMZOPIPTSA-N 2 0 324.509 2.645 20 0 DFADRP C[C@@H](O)C[N@H+](C)C1CCN(C[C@@H]2CCC3(CCCCC3)O2)CC1 ZINC000342628321 272033339 /nfs/dbraw/zinc/03/33/39/272033339.db2.gz FXXIRLKNPVVKQD-AEFFLSMTSA-N 2 0 324.509 2.645 20 0 DFADRP CCC[N@@H+]1CCC[C@H]1C(=O)N(C)CC[NH+](C)C1CCCCC1 ZINC000342671094 272039761 /nfs/dbraw/zinc/03/97/61/272039761.db2.gz SSMNEPZWPRYORV-KRWDZBQOSA-N 2 0 309.498 2.584 20 0 DFADRP C[C@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)C1(C[NH+](C)C)CCCCC1 ZINC000342763364 272051678 /nfs/dbraw/zinc/05/16/78/272051678.db2.gz ZJJNQEZPRIHCHJ-IRXDYDNUSA-N 2 0 321.509 2.584 20 0 DFADRP C[C@@H]([NH2+]Cc1ccc(OC2CC[NH+](C)CC2)cc1)[C@H]1CCCO1 ZINC000342812193 272056749 /nfs/dbraw/zinc/05/67/49/272056749.db2.gz JSSHGOPDVVTOQJ-DNVCBOLYSA-N 2 0 318.461 2.817 20 0 DFADRP CCC[NH+](CCC)CCCC(=O)N(C)C1CC[NH+](CC)CC1 ZINC000342861401 272063729 /nfs/dbraw/zinc/06/37/29/272063729.db2.gz MZOCQOTWOYHALU-UHFFFAOYSA-N 2 0 311.514 2.831 20 0 DFADRP C[C@H]1CN(C)C[C@H]1[NH2+]Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000343032762 272077308 /nfs/dbraw/zinc/07/73/08/272077308.db2.gz HOSKDARTSZJOEN-QFBILLFUSA-N 2 0 301.478 2.712 20 0 DFADRP CC[NH+]1CCN([C@H](C)C[NH2+][C@@H]2CCc3ccc(Cl)cc32)CC1 ZINC000343091149 272085033 /nfs/dbraw/zinc/08/50/33/272085033.db2.gz CJAAKKLZZGHNHT-RDTXWAMCSA-N 2 0 321.896 2.943 20 0 DFADRP C[NH+]1CCN(CCC[NH2+][C@H]2CCc3ccc(Cl)cc32)CC1 ZINC000343092466 272085200 /nfs/dbraw/zinc/08/52/00/272085200.db2.gz QSDUAENGEKJOPJ-KRWDZBQOSA-N 2 0 307.869 2.554 20 0 DFADRP C[C@H](C[NH2+][C@H]1CCc2ccc(Cl)cc21)CN1CC[NH+](C)CC1 ZINC000343102768 272087456 /nfs/dbraw/zinc/08/74/56/272087456.db2.gz MWYQPEDMCUWLBE-KDOFPFPSSA-N 2 0 321.896 2.800 20 0 DFADRP CCSc1cccc(C[NH2+][C@@H](C)CN2CC[NH+](C)CC2)c1 ZINC000185524943 427667665 /nfs/dbraw/zinc/66/76/65/427667665.db2.gz GQIUOIBAMBPDGW-HNNXBMFYSA-N 2 0 307.507 2.524 20 0 DFADRP C[C@@H]([NH2+]CC1=CCCOC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272218232 427677233 /nfs/dbraw/zinc/67/72/33/427677233.db2.gz RMJYHPVYMQDUOI-APWZRJJASA-N 2 0 300.446 2.833 20 0 DFADRP CO[C@H](C)CC[NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]12 ZINC000295053172 427673885 /nfs/dbraw/zinc/67/38/85/427673885.db2.gz PTLVHFBHZQXCLX-OQIJWPOYSA-N 2 0 302.462 2.912 20 0 DFADRP CCCCCNC(=O)[C@H](C)[NH+]1CCC(C[NH+](CC)CC)CC1 ZINC000343575420 272174480 /nfs/dbraw/zinc/17/44/80/272174480.db2.gz FPUFASZMLFTDMT-INIZCTEOSA-N 2 0 311.514 2.735 20 0 DFADRP CC[NH+](CC)CC1CC[NH+]([C@@H](C)C(=O)N2CCC(C)CC2)CC1 ZINC000343574311 272174632 /nfs/dbraw/zinc/17/46/32/272174632.db2.gz CRDCXTCOIQFZFI-KRWDZBQOSA-N 2 0 323.525 2.687 20 0 DFADRP CC[N@H+](C)[C@H](C(=O)NC[C@@H]1CCC[NH+](CC)C1)c1ccccc1 ZINC000343749878 272210714 /nfs/dbraw/zinc/21/07/14/272210714.db2.gz CLHIKGISAWNLAO-WMZOPIPTSA-N 2 0 317.477 2.528 20 0 DFADRP C[C@H](CN(C)Cc1ccccc1)[NH2+][C@H]1C[C@@H](C)N(C2CC2)C1 ZINC000343923252 272237832 /nfs/dbraw/zinc/23/78/32/272237832.db2.gz GMPVHVVJZGVAIT-NUJGCVRESA-N 2 0 301.478 2.722 20 0 DFADRP CC[NH+]1CCN(CCC[NH2+][C@H]2CCCc3ccc(F)cc32)CC1 ZINC000344095568 272262232 /nfs/dbraw/zinc/26/22/32/272262232.db2.gz GNRHRFCZAOGTDZ-IBGZPJMESA-N 2 0 319.468 2.820 20 0 DFADRP CC[NH+](CC)CCC[C@@H](C)NC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC000344177969 272280347 /nfs/dbraw/zinc/28/03/47/272280347.db2.gz UEQLLKCPJJISPN-SJORKVTESA-N 2 0 311.514 2.878 20 0 DFADRP CC(C)[NH+]1CCC(C(=O)NCC2([NH+](C)C)CCCCCC2)CC1 ZINC000344231931 272293171 /nfs/dbraw/zinc/29/31/71/272293171.db2.gz PDMMPXAIHRXWEX-UHFFFAOYSA-N 2 0 323.525 2.878 20 0 DFADRP CCCCO[C@@H]1C[C@@H]([NH2+][C@H](C)CCN2CCOCC2)C1(C)C ZINC000344292502 272305982 /nfs/dbraw/zinc/30/59/82/272305982.db2.gz PIKPXWFTJXKQMZ-BRWVUGGUSA-N 2 0 312.498 2.671 20 0 DFADRP CCCCO[C@@H]1C[C@H]([NH2+][C@@H](C)CCN2CCOCC2)C1(C)C ZINC000344292509 272306038 /nfs/dbraw/zinc/30/60/38/272306038.db2.gz PIKPXWFTJXKQMZ-YESZJQIVSA-N 2 0 312.498 2.671 20 0 DFADRP C[C@@H]1CCC[C@@H]([NH+]2CCC([NH2+]CC3=CC[N@H+](C)CC3)CC2)C1 ZINC000344292180 272306367 /nfs/dbraw/zinc/30/63/67/272306367.db2.gz FSXUBTFSCQECNP-VQIMIIECSA-N 3 0 305.510 2.881 20 0 DFADRP C[C@@H]1CN(C2CC2)C[C@@H]1[NH2+][C@@H]1CCO[C@H]1c1ccc(F)c(F)c1 ZINC000344297545 272306974 /nfs/dbraw/zinc/30/69/74/272306974.db2.gz BCYOQXFUTZHIMG-CITFOPHVSA-N 2 0 322.399 2.867 20 0 DFADRP CC[C@@H](C(=O)NCCCC[N@@H+]1CCC[C@@H](C)C1)[NH+](CC)CC ZINC000344518774 272332724 /nfs/dbraw/zinc/33/27/24/272332724.db2.gz BXWXQXKBGMESPW-SJORKVTESA-N 2 0 311.514 2.735 20 0 DFADRP CC(C)[C@@H](CNC(=O)C[NH+]1[C@H](C)CC[C@H]1C)[NH+]1CCC(C)CC1 ZINC000344568250 272339663 /nfs/dbraw/zinc/33/96/63/272339663.db2.gz DMQFFFOBHZJCET-KZNAEPCWSA-N 2 0 323.525 2.732 20 0 DFADRP CO[C@H](C[NH2+][C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1)C1CC1 ZINC000295080250 427684674 /nfs/dbraw/zinc/68/46/74/427684674.db2.gz TVJUXUXQNPAFJH-KFKAGJAMSA-N 2 0 302.462 2.912 20 0 DFADRP C[C@@H](c1ccccc1)[N@@H+]1CC[C@H](N[C@@H]2CC[NH+](C)[C@H](C)C2)C1 ZINC000344676993 272355033 /nfs/dbraw/zinc/35/50/33/272355033.db2.gz JUURBIOCVPEELI-JFRXWTBNSA-N 2 0 301.478 2.894 20 0 DFADRP CC(C)[NH+]1CCC(C(=O)Nc2cccc(C[NH+](C)C)c2)CC1 ZINC000344678338 272355712 /nfs/dbraw/zinc/35/57/12/272355712.db2.gz WQYAAMUSLLMOQK-UHFFFAOYSA-N 2 0 303.450 2.807 20 0 DFADRP C[C@@H]1CC[C@@H](C)[NH+]1[C@H]1CCCN(C(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC000345000151 272392408 /nfs/dbraw/zinc/39/24/08/272392408.db2.gz IVHOMMKBHUBHSP-ILOCAZANSA-N 2 0 321.509 2.723 20 0 DFADRP COc1ncccc1C[N@@H+]1CC[C@H](CNc2cccc(C)[nH+]2)C1 ZINC000193354354 427686537 /nfs/dbraw/zinc/68/65/37/427686537.db2.gz STTIYMFGPYRHNG-OAHLLOKOSA-N 2 0 312.417 2.728 20 0 DFADRP CC[C@@H]([NH2+][C@H](C)c1cccc(OCC[NH+](C)C)c1)C(C)(C)O ZINC000295082660 427686618 /nfs/dbraw/zinc/68/66/18/427686618.db2.gz UCDXIRAQXSQDMK-RHSMWYFYSA-N 2 0 308.466 2.827 20 0 DFADRP COCCCOc1ccc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000287759579 427687229 /nfs/dbraw/zinc/68/72/29/427687229.db2.gz ZRUQDNBOLIUETI-QZTJIDSGSA-N 2 0 318.461 2.818 20 0 DFADRP C[NH+](C)[C@H]1CCC[N@H+](C[C@H](O)Cc2cccc(Cl)c2)CC1 ZINC000287779714 427691683 /nfs/dbraw/zinc/69/16/83/427691683.db2.gz NIQXZEUZFQEABD-DLBZAZTESA-N 2 0 310.869 2.660 20 0 DFADRP C[C@@H]([NH2+]CC[C@@H]1CCC[N@@H+]1C)C1CCN(CC(F)(F)F)CC1 ZINC000339162415 427711302 /nfs/dbraw/zinc/71/13/02/427711302.db2.gz BSBIKBXMLIKPKZ-HIFRSBDPSA-N 2 0 321.431 2.723 20 0 DFADRP c1ccc(C[NH+]2C[C@@H]3C[N@@H+](CCOC4CCC4)C[C@@H]3C2)cc1 ZINC000287909787 427715225 /nfs/dbraw/zinc/71/52/25/427715225.db2.gz VKEXSFBPEUWYCT-HDICACEKSA-N 2 0 300.446 2.619 20 0 DFADRP CC(C)OC1CC([NH2+]Cc2ccc(OCC[NH+](C)C)cc2)C1 ZINC000185856229 427718105 /nfs/dbraw/zinc/71/81/05/427718105.db2.gz JJJFVAVNVUNROM-UHFFFAOYSA-N 2 0 306.450 2.673 20 0 DFADRP CCN(CC)C(=O)[C@H](C)[NH2+]Cc1cccc(C[NH+](CC)CC)c1 ZINC000298853356 427718595 /nfs/dbraw/zinc/71/85/95/427718595.db2.gz DPFLSFLCUJKZJN-INIZCTEOSA-N 2 0 319.493 2.875 20 0 DFADRP CCCOc1cccc(C[NH2+][C@H](C)CCN2CC[NH+](C)CC2)c1 ZINC000185866449 427720666 /nfs/dbraw/zinc/72/06/66/427720666.db2.gz BXSTTXKNPSQMGF-QGZVFWFLSA-N 2 0 319.493 2.591 20 0 DFADRP Cc1nccn1CC[N@H+]1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000336856187 427761191 /nfs/dbraw/zinc/76/11/91/427761191.db2.gz KWCLSKHWBGOCHD-SFHVURJKSA-N 2 0 304.482 2.635 20 0 DFADRP CC[NH+](CC)CCC[C@@H](C)NC(=O)[C@@H]([NH3+])CC1CCCCC1 ZINC000336863072 427765084 /nfs/dbraw/zinc/76/50/84/427765084.db2.gz HSJKAFZDYQQUJN-WBVHZDCISA-N 2 0 311.514 2.911 20 0 DFADRP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](CCCc3ccc4c(c3)CCO4)C[C@@H]21 ZINC000339407908 427768859 /nfs/dbraw/zinc/76/88/59/427768859.db2.gz QDMXKDWHUKXVTQ-FGTMMUONSA-N 2 0 300.446 2.613 20 0 DFADRP CC[N@@H+]1CC[C@H](N[C@@H](C)[C@@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC000336896260 427772129 /nfs/dbraw/zinc/77/21/29/427772129.db2.gz NULOFTDVTDMVAH-UHOSZYNNSA-N 2 0 301.478 2.581 20 0 DFADRP C[N@@H+]1CCC[C@@]2(CC[NH+](CCCCC(=O)OC(C)(C)C)C2)C1 ZINC000339428585 427772891 /nfs/dbraw/zinc/77/28/91/427772891.db2.gz PMYPMMUITBJSHF-GOSISDBHSA-N 2 0 310.482 2.916 20 0 DFADRP COCC1(CC[NH2+]Cc2cn(-c3cc[nH+]cc3)nc2C)CCC1 ZINC000339447618 427776541 /nfs/dbraw/zinc/77/65/41/427776541.db2.gz KHAAYBJFEVJJJX-UHFFFAOYSA-N 2 0 314.433 2.872 20 0 DFADRP FC(F)(F)[C@@H]1C[C@@H]([NH2+]CCCCC[NH+]2CCCC2)CCO1 ZINC000339499662 427783596 /nfs/dbraw/zinc/78/35/96/427783596.db2.gz HBLUZXKTASRASG-KBPBESRZSA-N 2 0 308.388 2.952 20 0 DFADRP Cc1nccnc1CC[NH2+][C@@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000339527528 427789076 /nfs/dbraw/zinc/78/90/76/427789076.db2.gz DSWPAIUXYOUESI-FUHWJXTLSA-N 2 0 310.445 2.753 20 0 DFADRP Cc1sccc1C[NH2+]C1CCN(C2CC[NH+](C)CC2)CC1 ZINC000339218537 427734881 /nfs/dbraw/zinc/73/48/81/427734881.db2.gz SRGHMBOUPISAHX-UHFFFAOYSA-N 2 0 307.507 2.705 20 0 DFADRP C[N@H+](C[C@@H]1CC[NH+](Cc2ccccc2)C1)C[C@H]1CCCOC1 ZINC000336723945 427750631 /nfs/dbraw/zinc/75/06/31/427750631.db2.gz WVMZMTGZHNFQNN-RBUKOAKNSA-N 2 0 302.462 2.867 20 0 DFADRP C[N@H+](C[C@H]1CC[NH+](Cc2ccccc2)C1)C[C@@H]1CCCOC1 ZINC000336723943 427750782 /nfs/dbraw/zinc/75/07/82/427750782.db2.gz WVMZMTGZHNFQNN-MOPGFXCFSA-N 2 0 302.462 2.867 20 0 DFADRP Cc1cnn(CC[N@@H+](C)C[C@H]2CC[NH+](Cc3ccccc3)C2)c1 ZINC000336719253 427750994 /nfs/dbraw/zinc/75/09/94/427750994.db2.gz RRRWZODVDUGUGU-LJQANCHMSA-N 2 0 312.461 2.645 20 0 DFADRP C[NH+](C)C1CCN(CCNc2cc[nH+]c3cc(F)ccc23)CC1 ZINC000301562484 427805742 /nfs/dbraw/zinc/80/57/42/427805742.db2.gz UUDRBPXFWGCKNY-UHFFFAOYSA-N 2 0 316.424 2.812 20 0 DFADRP O[C@H](C[NH+]1CC[C@@H](CC2CC2)C1)C[N@@H+]1CC[C@H](CC2CC2)C1 ZINC000339675103 427810546 /nfs/dbraw/zinc/81/05/46/427810546.db2.gz CCMUGFYTVXNGNO-BWTSREIZSA-N 2 0 306.494 2.591 20 0 DFADRP Cc1cccc2c(NCCN3CCC([NH+](C)C)CC3)cc[nH+]c12 ZINC000301646379 427811800 /nfs/dbraw/zinc/81/18/00/427811800.db2.gz DDNMQEQWSDGYRE-UHFFFAOYSA-N 2 0 312.461 2.981 20 0 DFADRP CC(C)[NH+]1CCN(CCC[N@@H+]2CC[C@@H]2c2ccccc2)CC1 ZINC000337250111 427823697 /nfs/dbraw/zinc/82/36/97/427823697.db2.gz MHCRTTZAOPMLKE-LJQANCHMSA-N 2 0 301.478 2.850 20 0 DFADRP CCOCC[NH+]1CCN(c2cc(CC)[nH+]c3ccccc32)CC1 ZINC000301795355 427825321 /nfs/dbraw/zinc/82/53/21/427825321.db2.gz PORSMKJPNPSIKX-UHFFFAOYSA-N 2 0 313.445 2.956 20 0 DFADRP C[C@H](C(=O)N1[C@H](C)CCC[C@@H]1C)N(C)CCC[NH+]1CCCC1 ZINC000337279871 427830137 /nfs/dbraw/zinc/83/01/37/427830137.db2.gz UTHKLBAMEKAJBO-IXDOHACOSA-N 2 0 309.498 2.582 20 0 DFADRP COCCN1CCC[C@@H]1C[NH2+][C@@H](c1ccc(F)cc1)C1CC1 ZINC000359397934 427833701 /nfs/dbraw/zinc/83/37/01/427833701.db2.gz ZAFRSYUJGHLTOV-QZTJIDSGSA-N 2 0 306.425 2.977 20 0 DFADRP C[NH+](C)CCOc1ccc(NC(=O)c2ccc3c[nH+]cn3c2)cc1 ZINC000339818286 427835881 /nfs/dbraw/zinc/83/58/81/427835881.db2.gz RURPLKCGFVRIAB-UHFFFAOYSA-N 2 0 324.384 2.527 20 0 DFADRP CC[C@H](C)[NH+]1CCN(c2ccccc2OCC[NH+](C)C)CC1 ZINC000337308550 427837631 /nfs/dbraw/zinc/83/76/31/427837631.db2.gz XXPOJLWFIISNSQ-INIZCTEOSA-N 2 0 305.466 2.548 20 0 DFADRP CC[NH+](CC)CCOCC[NH2+][C@@H]1CCCOc2cc(F)ccc21 ZINC000349663493 427838594 /nfs/dbraw/zinc/83/85/94/427838594.db2.gz KDRANPDXQQEWDW-QGZVFWFLSA-N 2 0 324.440 2.987 20 0 DFADRP Cc1cc([C@@H](C)[NH2+]CCCN2CC[NH+](C(C)C)CC2)c(C)o1 ZINC000337318455 427840841 /nfs/dbraw/zinc/84/08/41/427840841.db2.gz MQUOVDHCOXFDIV-MRXNPFEDSA-N 2 0 307.482 2.963 20 0 DFADRP CC[NH+](CC)CCOCC[NH2+][C@@H](C)c1ccc(F)c(F)c1 ZINC000349696346 427845180 /nfs/dbraw/zinc/84/51/80/427845180.db2.gz UOFFAHQTLXQLFG-ZDUSSCGKSA-N 2 0 300.393 2.974 20 0 DFADRP CC(C)[NH+](CCNC(=O)[C@H](C)[N@H+](C)Cc1ccccc1)C(C)C ZINC000345664816 427850040 /nfs/dbraw/zinc/85/00/40/427850040.db2.gz OHRAAVSHROXINN-KRWDZBQOSA-N 2 0 319.493 2.742 20 0 DFADRP CC[C@H](Cn1cncn1)[NH2+]Cc1ccccc1C[NH+](CC)CC ZINC000340470579 427857156 /nfs/dbraw/zinc/85/71/56/427857156.db2.gz OLUVBAXJFPABTP-GOSISDBHSA-N 2 0 315.465 2.688 20 0 DFADRP C[NH+](C)CCc1ccc(NC(=O)c2ccc3c[nH+]cn3c2)cc1 ZINC000339923794 427874494 /nfs/dbraw/zinc/87/44/94/427874494.db2.gz OUHXULUHJNGQCA-UHFFFAOYSA-N 2 0 308.385 2.691 20 0 DFADRP C[NH+]1CCN(CCC(C)(C)[NH2+]C[C@H]2C[C@@H]2c2ccccc2)CC1 ZINC000349821478 427874559 /nfs/dbraw/zinc/87/45/59/427874559.db2.gz LHGINHADMWDEAL-RTBURBONSA-N 2 0 315.505 2.796 20 0 DFADRP CC(C)(C)NC(=O)C[NH+]1CCC(C[NH2+][C@H]2CCC23CCC3)CC1 ZINC000337386369 427879342 /nfs/dbraw/zinc/87/93/42/427879342.db2.gz FTTNBCQMLUFYGP-INIZCTEOSA-N 2 0 321.509 2.535 20 0 DFADRP Cc1ccc([C@H](O)C[N@@H+]2CC[C@H](C[NH+]3CCCCC3)C2)cc1 ZINC000304291394 427926006 /nfs/dbraw/zinc/92/60/06/427926006.db2.gz CNIDQMZZDSDPIK-IEBWSBKVSA-N 2 0 302.462 2.836 20 0 DFADRP CCCC[C@H](C)C(=O)N(CC[NH+](C)C)C[C@H]1CCC[N@@H+]1CC ZINC000337485323 427926049 /nfs/dbraw/zinc/92/60/49/427926049.db2.gz YUCLZOCBAVEVEM-DLBZAZTESA-N 2 0 311.514 2.687 20 0 DFADRP C[N@@H+]1CCC[C@H]1CC[NH+]1CCC[C@H](c2ncc3n2CCCC3)C1 ZINC000337427254 427902284 /nfs/dbraw/zinc/90/22/84/427902284.db2.gz BRGSXZXXVFLDGX-IRXDYDNUSA-N 2 0 316.493 2.883 20 0 DFADRP CC[C@H](C)[NH2+][C@@H](CNC(=O)[C@H](C)[NH2+]C(C)(C)CC)c1ccco1 ZINC000359543508 427902837 /nfs/dbraw/zinc/90/28/37/427902837.db2.gz NCBKGMBKJLSYFO-KKUMJFAQSA-N 2 0 323.481 2.992 20 0 DFADRP Cc1cccc(NC(=O)[C@H](C)N(C)C[C@H]2CCC[N@H+](C)C2)c1 ZINC000345785069 427903706 /nfs/dbraw/zinc/90/37/06/427903706.db2.gz XJGGWQGYHUIQHX-HOTGVXAUSA-N 2 0 303.450 2.596 20 0 DFADRP CCC[C@H](C(=O)NC[C@H]([NH2+][C@@H](C)CC)c1ccco1)[NH+](C)C ZINC000359551141 427904693 /nfs/dbraw/zinc/90/46/93/427904693.db2.gz ZMWSGOVNSLUNGG-SOUVJXGZSA-N 2 0 309.454 2.555 20 0 DFADRP C[NH+]1CCC(C)(C[NH2+][C@@H]2CCCN(Cc3ccccc3)C2)CC1 ZINC000303552365 427905779 /nfs/dbraw/zinc/90/57/79/427905779.db2.gz ZBURJRYQAMRCPM-LJQANCHMSA-N 2 0 315.505 2.973 20 0 DFADRP C[C@H](CNC(=O)c1cccc(C[NH+](C)C)c1)[N@@H+]1CCCC[C@@H]1C ZINC000355823690 427908554 /nfs/dbraw/zinc/90/85/54/427908554.db2.gz YXUZNICJNUBNEP-JKSUJKDBSA-N 2 0 317.477 2.741 20 0 DFADRP C[C@H]1[C@@H]([NH2+]CC2CC[NH+](C)CC2)CCCN1Cc1ccccc1 ZINC000340228657 427959967 /nfs/dbraw/zinc/95/99/67/427959967.db2.gz LYRNPXFFYGTTCH-PXNSSMCTSA-N 2 0 315.505 2.971 20 0 DFADRP CN1CC[C@H]([NH2+]CC2CC[NH+](C)CC2)C[C@H]1c1ccccc1 ZINC000340228536 427960822 /nfs/dbraw/zinc/96/08/22/427960822.db2.gz JZEXVYXVZUZQJU-OALUTQOASA-N 2 0 301.478 2.753 20 0 DFADRP CC[C@H]([NH2+]CC[C@H](C)[NH+]1CCCCC1)C1(C(=O)OC)CCC1 ZINC000346894714 272698752 /nfs/dbraw/zinc/69/87/52/272698752.db2.gz YTIOJEHBNHWTAT-HOTGVXAUSA-N 2 0 310.482 2.962 20 0 DFADRP CCC(C)(C)[NH2+][C@@H](C)C(=O)N(C)CC[N@H+](C)C1CCCCC1 ZINC000355954384 427963019 /nfs/dbraw/zinc/96/30/19/427963019.db2.gz MDSLRWWKFCGEJB-HNNXBMFYSA-N 2 0 311.514 2.876 20 0 DFADRP C[C@@H]1C[C@H](N[C@H]2CC[NH+](C)[C@@H](c3ccccc3)C2)CC[N@@H+]1C ZINC000340262695 427969480 /nfs/dbraw/zinc/96/94/80/427969480.db2.gz ZVHDSLNOBZWRGE-OQIJWPOYSA-N 2 0 301.478 2.894 20 0 DFADRP CCC(C)(C)[NH2+][C@H](C)C(=O)Nc1cccc(OCC[NH+](C)C)c1 ZINC000355981834 427970252 /nfs/dbraw/zinc/97/02/52/427970252.db2.gz AKPMUTAMWFWVEK-CQSZACIVSA-N 2 0 321.465 2.732 20 0 DFADRP CC(C)[C@H](C(=O)NCC[NH+]1[C@@H](C)CCC[C@@H]1C)[NH+]1CCCCC1 ZINC000341047751 427978759 /nfs/dbraw/zinc/97/87/59/427978759.db2.gz BSQAQDFDUVNETL-OKZBNKHCSA-N 2 0 323.525 2.876 20 0 DFADRP C[C@H](CCNC(=O)CC[C@@H]1CCCC[N@@H+]1C)[NH+]1CCCCC1 ZINC000356031090 427990459 /nfs/dbraw/zinc/99/04/59/427990459.db2.gz CXPJGTOPBXSUQI-SJORKVTESA-N 2 0 309.498 2.632 20 0 DFADRP CCCC[C@@H](C)C(=O)N(CC[NH+](C)C)C[C@@H]1CCC[N@@H+]1CC ZINC000337485326 427927123 /nfs/dbraw/zinc/92/71/23/427927123.db2.gz YUCLZOCBAVEVEM-SJORKVTESA-N 2 0 311.514 2.687 20 0 DFADRP CC[NH+]1CCC(N[C@H]2CC[N@H+](C)[C@@H](c3ccccc3)C2)CC1 ZINC000340181204 427947213 /nfs/dbraw/zinc/94/72/13/427947213.db2.gz MWKLCNHYTLPIFA-RBUKOAKNSA-N 2 0 301.478 2.896 20 0 DFADRP C[C@@H]([NH2+]CCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccncc1F ZINC000340207859 427953783 /nfs/dbraw/zinc/95/37/83/427953783.db2.gz YODADNWTHZCKSE-QLFBSQMISA-N 2 0 309.429 2.761 20 0 DFADRP CC[NH+](CC)CCO[C@H]1CC[N@H+](CC2(SC)CCC2)C1 ZINC000356137852 428036248 /nfs/dbraw/zinc/03/62/48/428036248.db2.gz PWVBYQLWZGWEBC-HNNXBMFYSA-N 2 0 300.512 2.705 20 0 DFADRP C[C@@H](C(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)[NH+]1CCCCCC1 ZINC000341342986 428040217 /nfs/dbraw/zinc/04/02/17/428040217.db2.gz GSFKGDIGSJVHSP-HOTGVXAUSA-N 2 0 311.514 2.734 20 0 DFADRP CC[C@H]1C[N@H+](Cc2cn(-c3cc[nH+]cc3)nc2C)CCS1 ZINC000346158820 428042737 /nfs/dbraw/zinc/04/27/37/428042737.db2.gz ANMBDAJGIYFWLX-INIZCTEOSA-N 2 0 302.447 2.903 20 0 DFADRP CSC[C@H]1CCC[N@@H+]1Cc1cn(-c2cc[nH+]cc2)nc1C ZINC000346164313 428044873 /nfs/dbraw/zinc/04/48/73/428044873.db2.gz IIXVNIPKCAIDEQ-MRXNPFEDSA-N 2 0 302.447 2.903 20 0 DFADRP CC(C)CN(C(=O)[C@@H](C)[N@H+]1[C@H](C)CC[C@@H]1C)C1CC[NH+](C)CC1 ZINC000413460365 428053650 /nfs/dbraw/zinc/05/36/50/428053650.db2.gz UBQBNQCEIQBTHK-IXDOHACOSA-N 2 0 323.525 2.827 20 0 DFADRP CC[NH+](CC)CCOCC[NH2+][C@@H]1CCC[C@@H]([C@@H]2CCOC2)C1 ZINC000341382959 428054367 /nfs/dbraw/zinc/05/43/67/428054367.db2.gz QVCRPLREZNDRSP-KZNAEPCWSA-N 2 0 312.498 2.530 20 0 DFADRP C(C[NH+]1CCCO[C@H]2CCC[C@H]21)C[N@@H+]1CCCO[C@@H]2CCC[C@@H]21 ZINC000359874961 428057376 /nfs/dbraw/zinc/05/73/76/428057376.db2.gz ROQKJHVQXMACGJ-SEXKYXSUSA-N 2 0 322.493 2.663 20 0 DFADRP CN1CC[C@H]([NH2+]CC2(CO)CCCC2)C[C@H]1c1ccccc1 ZINC000340361160 427997549 /nfs/dbraw/zinc/99/75/49/427997549.db2.gz NXFZXXAIOJNZBA-ROUUACIJSA-N 2 0 302.462 2.964 20 0 DFADRP C[N@H+](C[C@H]1CC12CC[NH+](Cc1ccc(CO)cc1)CC2)C1CC1 ZINC000376824648 428006355 /nfs/dbraw/zinc/00/63/55/428006355.db2.gz XKCGWVMOZXIVNV-GOSISDBHSA-N 2 0 314.473 2.875 20 0 DFADRP C[C@H]1CCCC[C@H]1C[N@@H+]1CCCN(Cc2nccn2C)CC1 ZINC000369917073 428087887 /nfs/dbraw/zinc/08/78/87/428087887.db2.gz ASALHDJNYGNNAF-IRXDYDNUSA-N 2 0 304.482 2.754 20 0 DFADRP C[N@H+](CCCNC(=O)[C@H]1CCCn2ccnc21)C1CCCCC1 ZINC000370015137 428111216 /nfs/dbraw/zinc/11/12/16/428111216.db2.gz BVTPOXAJJHHDJT-INIZCTEOSA-N 2 0 318.465 2.531 20 0 DFADRP C[NH+](C)CCc1ccccc1NC(=O)c1ccc2c[nH+]cn2c1 ZINC000341584590 428118228 /nfs/dbraw/zinc/11/82/28/428118228.db2.gz YACWBCZZFMKQEG-UHFFFAOYSA-N 2 0 308.385 2.691 20 0 DFADRP CC[C@H](c1ccccc1OC)N(C)C[C@@H](O)C[N@H+](C)C1CC1 ZINC000351967402 428118583 /nfs/dbraw/zinc/11/85/83/428118583.db2.gz LIEGNXWVCIIDIB-DOTOQJQBSA-N 2 0 306.450 2.533 20 0 DFADRP Cc1cc(C)n2c(C[N@H+](CCC[NH3+])CC3CCCC3)cnc2n1 ZINC000352540346 428142269 /nfs/dbraw/zinc/14/22/69/428142269.db2.gz KBBXIYSKRQNSJM-UHFFFAOYSA-N 2 0 315.465 2.687 20 0 DFADRP COc1ccc(O)cc1[C@H](C)NCc1ccc(-n2ccnc2)nc1 ZINC000377614629 428169729 /nfs/dbraw/zinc/16/97/29/428169729.db2.gz JHCDEKDSFGUGKJ-ZDUSSCGKSA-N 2 0 324.384 2.832 20 0 DFADRP C[N@H+](Cc1ccc(Cl)cc1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000370265413 428172463 /nfs/dbraw/zinc/17/24/63/428172463.db2.gz HKYZJXBXLSEJAJ-GOSISDBHSA-N 2 0 321.896 2.940 20 0 DFADRP C[N@H+](CCCOCc1ccccc1)C[C@H]1CCn2ccnc2C1 ZINC000377625197 428176559 /nfs/dbraw/zinc/17/65/59/428176559.db2.gz HXVNLQOVROSEMT-SFHVURJKSA-N 2 0 313.445 2.984 20 0 DFADRP CCCn1nc(C)c(CN(C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)c1C ZINC000377625260 428176775 /nfs/dbraw/zinc/17/67/75/428176775.db2.gz LYMNMYSMMGQXLF-SJPCQFCGSA-N 2 0 304.482 2.967 20 0 DFADRP CCCn1nccc1C1CC[NH+](CC[C@H]2CCC[N@@H+]2C)CC1 ZINC000370295870 428180676 /nfs/dbraw/zinc/18/06/76/428180676.db2.gz XSFQZBAFJRXJDM-QGZVFWFLSA-N 2 0 304.482 2.957 20 0 DFADRP Cc1n[nH]c(C)c1C[N@H+]1C[C@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1 ZINC000356523062 428216563 /nfs/dbraw/zinc/21/65/63/428216563.db2.gz JMGQIBCESLRYRT-RTBURBONSA-N 2 0 324.472 2.980 20 0 DFADRP C[C@@H]1C[C@H](C[NH+]2CCC(C[NH+]3C[C@@H](C)O[C@H](C)C3)CC2)CCO1 ZINC000352713393 428216749 /nfs/dbraw/zinc/21/67/49/428216749.db2.gz DDRCBIPJYQQRNI-YWTNHNAXSA-N 2 0 324.509 2.623 20 0 DFADRP COc1ccc([C@H](C)[NH2+]CCN2CC[N@H+](C)C(C)(C)C2)c(C)c1 ZINC000414155498 428219278 /nfs/dbraw/zinc/21/92/78/428219278.db2.gz SXNBFUCEXMZKMZ-INIZCTEOSA-N 2 0 319.493 2.680 20 0 DFADRP C[C@H]([NH2+]CC[C@H]1CCC[N@H+](C)C1)c1ccc2c(c1)OCCO2 ZINC000414172881 428224930 /nfs/dbraw/zinc/22/49/30/428224930.db2.gz FQZPRYYVWGHZRK-LSDHHAIUSA-N 2 0 304.434 2.840 20 0 DFADRP C[C@H]([NH2+]CC[C@H]1CCC[N@H+](C)C1)c1cccc(-n2ccnn2)c1 ZINC000414187212 428229256 /nfs/dbraw/zinc/22/92/56/428229256.db2.gz PRCLPILEUIFIJO-JKSUJKDBSA-N 2 0 313.449 2.650 20 0 DFADRP C[C@H]1CCN(C(=O)Nc2ccn3ccnc3c2)C[C@@H]1n1ccnc1 ZINC000377820661 428236064 /nfs/dbraw/zinc/23/60/64/428236064.db2.gz GRRRYYNZMXZBSQ-ZFWWWQNUSA-N 2 0 324.388 2.646 20 0 DFADRP C[C@@H]1C[C@H]([NH2+]CCc2cnccn2)CCN1Cc1ccccc1 ZINC000341875337 428238651 /nfs/dbraw/zinc/23/86/51/428238651.db2.gz LFYKZRFTVJHXFG-SJLPKXTDSA-N 2 0 310.445 2.662 20 0 DFADRP CN1CC[C@@H]([NH2+]CC[C@H]2CCC[N@@H+]2C)[C@H]1c1ccc(F)cc1 ZINC000377667713 428188403 /nfs/dbraw/zinc/18/84/03/428188403.db2.gz DOTHTAAMCWFKMA-KZNAEPCWSA-N 2 0 305.441 2.645 20 0 DFADRP C[N@@H+](Cc1nc(-c2ccccc2)no1)C[C@H]1CCn2ccnc2C1 ZINC000377687569 428196412 /nfs/dbraw/zinc/19/64/12/428196412.db2.gz UZHOABMLQCHXKD-AWEZNQCLSA-N 2 0 323.400 2.628 20 0 DFADRP CCO[C@H](CC[NH+](C)C)C[NH2+]Cc1ccc(SC)s1 ZINC000352824175 428265178 /nfs/dbraw/zinc/26/51/78/428265178.db2.gz CWVWWPMPWBXCEJ-GFCCVEGCSA-N 2 0 302.509 2.916 20 0 DFADRP CCc1ncc(C[NH2+]Cc2ccc(C[NH+](C)C)c(F)c2)cn1 ZINC000414360385 428271189 /nfs/dbraw/zinc/27/11/89/428271189.db2.gz ADJPOYTUHWDHJN-UHFFFAOYSA-N 2 0 302.397 2.530 20 0 DFADRP Cc1nn(Cc2ccccc2)c(C)c1C[N@H+]1C[C@@H](C[NH3+])C[C@H]1C ZINC000346690199 428273355 /nfs/dbraw/zinc/27/33/55/428273355.db2.gz STVRSLHEIZACFA-RDTXWAMCSA-N 2 0 312.461 2.717 20 0 DFADRP CC(C)[C@H]([NH3+])CC[N@H+](C)Cc1cn(C)nc1-c1ccccc1 ZINC000346685460 428274398 /nfs/dbraw/zinc/27/43/98/428274398.db2.gz SIHILQBOAQDZPO-QGZVFWFLSA-N 2 0 300.450 2.892 20 0 DFADRP Cc1nn(Cc2ccccc2)c(C)c1C[N@H+]1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000346694763 428275192 /nfs/dbraw/zinc/27/51/92/428275192.db2.gz WBLPBCKIKDYQKR-KBXCAEBGSA-N 2 0 312.461 2.717 20 0 DFADRP CC(=O)NCCc1ccc([C@H](C)[NH2+]CCC[N@@H+](C)C(C)C)cc1 ZINC000356694135 428275808 /nfs/dbraw/zinc/27/58/08/428275808.db2.gz JIQQKUVLRHTPLS-INIZCTEOSA-N 2 0 319.493 2.746 20 0 DFADRP C[NH2+]C[C@@H]1CCCN1CC(C)(C)C[N@H+](C)Cc1ccccc1 ZINC000346693205 428276864 /nfs/dbraw/zinc/27/68/64/428276864.db2.gz LLFZIQUAOQBDJL-SFHVURJKSA-N 2 0 303.494 2.828 20 0 DFADRP C[C@H]1C[C@H](C[NH3+])C[N@@H+]1Cc1ccc(OCC(F)(F)F)cc1 ZINC000346694082 428278292 /nfs/dbraw/zinc/27/82/92/428278292.db2.gz RTVTYJGTRXBMFV-WCQYABFASA-N 2 0 302.340 2.797 20 0 DFADRP Fc1cc(C[NH2+][C@@H]2CCc3nc[nH]c3C2)ccc1OC(F)F ZINC000370728815 428286473 /nfs/dbraw/zinc/28/64/73/428286473.db2.gz DMMBSQBDEJHSEN-SNVBAGLBSA-N 2 0 311.307 2.797 20 0 DFADRP Cc1c(F)cccc1NC(=O)CC[N@@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000342080164 428295656 /nfs/dbraw/zinc/29/56/56/428295656.db2.gz FZTRCBAETDVRCI-LZWOXQAQSA-N 2 0 319.424 2.522 20 0 DFADRP CCc1nocc1C[N@H+](C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000352886167 428295676 /nfs/dbraw/zinc/29/56/76/428295676.db2.gz OYRDSOJPUIPYBP-UHFFFAOYSA-N 2 0 314.433 2.980 20 0 DFADRP C[N@H+](Cc1ccccc1)[C@H]1CCN(C(=O)CCCCCC[NH3+])C1 ZINC000370767478 428296360 /nfs/dbraw/zinc/29/63/60/428296360.db2.gz UGYYJTUKLTXHPO-SFHVURJKSA-N 2 0 317.477 2.629 20 0 DFADRP Cc1cc(N[C@@H]2CCCN(c3cc(C)nc(C)n3)C2)nc(C)n1 ZINC000377836803 428241810 /nfs/dbraw/zinc/24/18/10/428241810.db2.gz FVQDREYABFTCID-OAHLLOKOSA-N 2 0 312.421 2.581 20 0 DFADRP C[N@@H+]1CC[C@H]2[C@H](CCCN2Cc2cnc(C(C)(C)C)nc2)C1 ZINC000377835855 428241888 /nfs/dbraw/zinc/24/18/88/428241888.db2.gz XBKLSOJTFHDBEE-CVEARBPZSA-N 2 0 302.466 2.690 20 0 DFADRP Cc1ccccc1OCC[NH2+]Cc1ncc(CN(C)C)s1 ZINC000352774883 428243129 /nfs/dbraw/zinc/24/31/29/428243129.db2.gz YHHUWOHRWCZVGN-UHFFFAOYSA-N 2 0 305.447 2.682 20 0 DFADRP CN(C)Cc1cnc(CNCc2ccc3c(c2)COC3)s1 ZINC000352791530 428250346 /nfs/dbraw/zinc/25/03/46/428250346.db2.gz PFOYGYVESQVPAS-UHFFFAOYSA-N 2 0 303.431 2.525 20 0 DFADRP CCCC[N@H+](C)C[C@@H](C)NC(=O)[C@H]1CCC[NH+]1C1CCCC1 ZINC000356607743 428253104 /nfs/dbraw/zinc/25/31/04/428253104.db2.gz YEJXJUWBDXVYJM-NVXWUHKLSA-N 2 0 309.498 2.630 20 0 DFADRP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]CC1(c2ccc(F)cc2)CCOCC1 ZINC000360328836 428254673 /nfs/dbraw/zinc/25/46/73/428254673.db2.gz HQPHASQCOHVLMF-CRAIPNDOSA-N 2 0 320.452 2.804 20 0 DFADRP C[C@@H]([NH2+][C@H]1CCN(C2CC[NH+](C)CC2)C1)c1cc(F)ccc1F ZINC000370624818 428257208 /nfs/dbraw/zinc/25/72/08/428257208.db2.gz QBDLXNOYFMJQOT-HIFRSBDPSA-N 2 0 323.431 2.784 20 0 DFADRP CO[C@@H](C)[C@@H](C)[NH2+]CC1CC[NH+](CCc2ccccc2)CC1 ZINC000370638271 428258845 /nfs/dbraw/zinc/25/88/45/428258845.db2.gz VEICGCVOTGYLHZ-SJORKVTESA-N 2 0 304.478 2.954 20 0 DFADRP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC1CC[NH+](C)CC1 ZINC000370633943 428259627 /nfs/dbraw/zinc/25/96/27/428259627.db2.gz JKKPHZHHPVLDCC-FXAWDEMLSA-N 3 0 315.505 2.828 20 0 DFADRP Cc1nn(-c2cccc(F)c2)cc1CN(C)C[C@H]1CC[N@H+](C)C1 ZINC000414441302 428298182 /nfs/dbraw/zinc/29/81/82/428298182.db2.gz WFEMDBLKQOUURG-HNNXBMFYSA-N 2 0 316.424 2.703 20 0 DFADRP Cc1nn(-c2cccc(F)c2)cc1C[NH2+]CC1CC[NH+](C)CC1 ZINC000414325666 428260040 /nfs/dbraw/zinc/26/00/40/428260040.db2.gz KUFUTFGPZZXJMB-UHFFFAOYSA-N 2 0 316.424 2.751 20 0 DFADRP c1ccc(C[NH+]2CC[C@@]3(CC[N@@H+](C[C@H]4CCOC4)C3)C2)cc1 ZINC000352816274 428261199 /nfs/dbraw/zinc/26/11/99/428261199.db2.gz NYGJLEMBUHWGND-RTBURBONSA-N 2 0 300.446 2.621 20 0 DFADRP C[C@H]([NH2+][C@@H]1CCCN(C)[C@@H]1C)c1cccc(OCC[NH+](C)C)c1 ZINC000346788175 428317041 /nfs/dbraw/zinc/31/70/41/428317041.db2.gz HBMGYFPBRQHICT-FRQCXROJSA-N 2 0 319.493 2.760 20 0 DFADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]C[C@H]2CCCCS2)[C@H](C)C1 ZINC000346786500 428317714 /nfs/dbraw/zinc/31/77/14/428317714.db2.gz CXNIQYROECFKAW-ZACQAIPSSA-N 2 0 314.539 2.999 20 0 DFADRP CO[C@@](C)([C@@H](C)[NH2+]C1CCN(c2cc[nH+]cc2)CC1)C1CC1 ZINC000414498666 428322407 /nfs/dbraw/zinc/32/24/07/428322407.db2.gz INBARJHBXKTIHM-KDOFPFPSSA-N 2 0 303.450 2.844 20 0 DFADRP CCC(C)(C)[NH2+][C@@H](C)C(=O)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000356827248 428326900 /nfs/dbraw/zinc/32/69/00/428326900.db2.gz ZFIPPIBNPRKVRW-HNNXBMFYSA-N 2 0 309.498 2.630 20 0 DFADRP C[N@@H+]1CCCC[C@H]1CCC(=O)N1CCC[C@H]1C[NH+]1CCCCC1 ZINC000352971979 428330836 /nfs/dbraw/zinc/33/08/36/428330836.db2.gz MRMUTZXLNUHUBZ-ROUUACIJSA-N 2 0 321.509 2.728 20 0 DFADRP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](Cc3cnn(-c4ccc(F)cc4)c3)C[C@H]21 ZINC000346823576 428331163 /nfs/dbraw/zinc/33/11/63/428331163.db2.gz FGSXCJKECDOJNC-ZTFGCOKTSA-N 2 0 314.408 2.571 20 0 DFADRP CC[N@@H+]1C[C@H](C)[C@H](N[C@H](C)[C@@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC000352972783 428331790 /nfs/dbraw/zinc/33/17/90/428331790.db2.gz YMWMHKZCAFYWJD-ONCXSQPRSA-N 2 0 315.505 2.827 20 0 DFADRP Cc1ccc(-c2n[nH]cc2C[N@@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)cc1 ZINC000346826745 428335088 /nfs/dbraw/zinc/33/50/88/428335088.db2.gz MNIFVNMOTYQVDD-RYQLBKOJSA-N 2 0 310.445 2.944 20 0 DFADRP COCC[N@H+](CCCOc1ccc(F)cc1)C[C@H]1CCC[NH2+]C1 ZINC000346833835 428336731 /nfs/dbraw/zinc/33/67/31/428336731.db2.gz MQQHLVVMONYWMR-INIZCTEOSA-N 2 0 324.440 2.543 20 0 DFADRP C[C@H]([NH2+]Cc1cccc(OCC[NH+](C)C)c1)[C@@H]1CCCOC1 ZINC000356857466 428339068 /nfs/dbraw/zinc/33/90/68/428339068.db2.gz XCEUJDIJXCNMAI-DOTOQJQBSA-N 2 0 306.450 2.532 20 0 DFADRP C[C@H]([NH2+]CC1(N2CCSCC2)CCCC1)[C@H]1CCCOC1 ZINC000356858424 428339315 /nfs/dbraw/zinc/33/93/15/428339315.db2.gz XQPBAFOKYWSELS-HOTGVXAUSA-N 2 0 312.523 2.753 20 0 DFADRP CCCOc1ccc(C[N@@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)cc1OC ZINC000346837224 428339738 /nfs/dbraw/zinc/33/97/38/428339738.db2.gz PQPZPGKGCUIZRK-ARFHVFGLSA-N 2 0 304.434 2.653 20 0 DFADRP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](Cc3c[nH]nc3-c3cccs3)C[C@@H]21 ZINC000346840335 428341873 /nfs/dbraw/zinc/34/18/73/428341873.db2.gz ZXNBWLMIBYDNKD-KWCYVHTRSA-N 2 0 302.447 2.697 20 0 DFADRP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]CC1CC[NH+](Cc2ccccc2)CC1 ZINC000360575544 428354831 /nfs/dbraw/zinc/35/48/31/428354831.db2.gz YXCCFJMIOXEAAF-YLJYHZDGSA-N 2 0 315.505 2.828 20 0 DFADRP Cc1ccccc1-c1nc(CN2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)no1 ZINC000342104326 428301232 /nfs/dbraw/zinc/30/12/32/428301232.db2.gz NSDQCRIUIJYNJS-IMJJTQAJSA-N 2 0 312.417 2.604 20 0 DFADRP Cn1cc(C[N@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)c(C2CCCCC2)n1 ZINC000414765393 428397434 /nfs/dbraw/zinc/39/74/34/428397434.db2.gz FUIPCQMYKANSKY-CALCHBBNSA-N 2 0 316.493 2.899 20 0 DFADRP C[N@H+](Cc1ccccc1)CC(C)(C)CN1CC[NH2+]C[C@](C)(F)C1 ZINC000414764480 428398667 /nfs/dbraw/zinc/39/86/67/428398667.db2.gz DMWZDNMECSQXRS-IBGZPJMESA-N 2 0 321.484 2.778 20 0 DFADRP [NH3+]C[C@@H]1CCC[C@H]1[NH2+]Cc1ccc(Br)cc1F ZINC000414791683 428414210 /nfs/dbraw/zinc/41/42/10/428414210.db2.gz IEYSMIGCMITHKA-TVQRCGJNSA-N 2 0 301.203 2.805 20 0 DFADRP CC1CC[NH+](CC2CC[NH+](CCCn3ccnc3)CC2)CC1 ZINC000378450341 428399581 /nfs/dbraw/zinc/39/95/81/428399581.db2.gz PCXWCRTZSONZBZ-UHFFFAOYSA-N 2 0 304.482 2.717 20 0 DFADRP Clc1ccccc1[C@@H]1CCC[C@@H]1[NH2+]CCCN1CC[NH2+]CC1 ZINC000414775376 428400383 /nfs/dbraw/zinc/40/03/83/428400383.db2.gz CHQWYZMDJIJSMP-WMZOPIPTSA-N 2 0 321.896 2.861 20 0 DFADRP Cc1cccc2c(NCC[NH+]3CCSCC3)c(C)c[nH+]c12 ZINC000360689287 428400861 /nfs/dbraw/zinc/40/08/61/428400861.db2.gz DZAPZUQLBFBDIG-UHFFFAOYSA-N 2 0 301.459 2.734 20 0 DFADRP Cn1c2ccc(Cl)cc2nc1C[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000414773514 428401386 /nfs/dbraw/zinc/40/13/86/428401386.db2.gz XBDCZVFKOOIHTQ-BETUJISGSA-N 2 0 318.852 2.658 20 0 DFADRP CCOc1ccc(C[N@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)cc1OC ZINC000414773131 428401740 /nfs/dbraw/zinc/40/17/40/428401740.db2.gz WHVMXKJAHAZSBH-IYBDPMFKSA-N 2 0 304.434 2.525 20 0 DFADRP CC(C)N(C)c1ccc(C[N@@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)cn1 ZINC000414773628 428402165 /nfs/dbraw/zinc/40/21/65/428402165.db2.gz DQBOIRYDEGGWKF-QZTJIDSGSA-N 2 0 316.493 2.748 20 0 DFADRP CC(C)([NH3+])CN1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000346998929 428402448 /nfs/dbraw/zinc/40/24/48/428402448.db2.gz YMQNIQSUQNONAV-ZWKOTPCHSA-N 2 0 301.478 2.710 20 0 DFADRP C[C@H](CC[N@@H+]1C[C@@H](C[NH3+])C2(C1)CCOCC2)c1ccccc1 ZINC000414775725 428403409 /nfs/dbraw/zinc/40/34/09/428403409.db2.gz GNGDJFPAYZTOCO-SJLPKXTDSA-N 2 0 302.462 2.868 20 0 DFADRP COCCOc1ccccc1C[N@@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000414779615 428405200 /nfs/dbraw/zinc/40/52/00/428405200.db2.gz KOIZDXCLRPKBBH-IAGOWNOFSA-N 2 0 318.461 2.533 20 0 DFADRP COc1ccsc1[C@@H](C)[NH2+][C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000372112830 428414369 /nfs/dbraw/zinc/41/43/69/428414369.db2.gz LGEPNEAMFVWCIB-KGLIPLIRSA-N 2 0 323.506 2.576 20 0 DFADRP COC(=O)C[C@](C)(NCC[C@H]1CCC[N@@H+]1C)c1cccc(F)c1 ZINC000353152523 428406807 /nfs/dbraw/zinc/40/68/07/428406807.db2.gz XFNMDICJPZKIPO-AEFFLSMTSA-N 2 0 322.424 2.678 20 0 DFADRP COc1cc(C)c(C[N@@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)cc1OC ZINC000414784879 428406966 /nfs/dbraw/zinc/40/69/66/428406966.db2.gz RSCUHGWXTARQPZ-HOTGVXAUSA-N 2 0 318.461 2.834 20 0 DFADRP c1cc(N2CCCC2)ncc1C[N@@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000414785725 428407301 /nfs/dbraw/zinc/40/73/01/428407301.db2.gz TUTJEAGZCHCDRS-QZTJIDSGSA-N 2 0 314.477 2.503 20 0 DFADRP CCn1nc(C[N@@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)c2ccccc21 ZINC000414788176 428408940 /nfs/dbraw/zinc/40/89/40/428408940.db2.gz WJODZWNKFQMYJY-CVEARBPZSA-N 2 0 312.461 2.878 20 0 DFADRP CCn1nc(C[N@@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)c2ccccc21 ZINC000414788186 428410198 /nfs/dbraw/zinc/41/01/98/428410198.db2.gz WJODZWNKFQMYJY-JKSUJKDBSA-N 2 0 312.461 2.878 20 0 DFADRP Brc1ccc(C[N@@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)nc1 ZINC000414785743 428410900 /nfs/dbraw/zinc/41/09/00/428410900.db2.gz TVTFQRDGLMIDQU-STQMWFEESA-N 2 0 324.266 2.666 20 0 DFADRP CC[C@H]([NH2+]CC[C@@H](C)[NH+]1CCCCC1)C1(C(=O)OC)CCC1 ZINC000346894713 428363637 /nfs/dbraw/zinc/36/36/37/428363637.db2.gz YTIOJEHBNHWTAT-CVEARBPZSA-N 2 0 310.482 2.962 20 0 DFADRP CC[N@H+](C[C@@H]1CC[NH2+][C@H](C)C1)C[C@H]1COc2ccccc2O1 ZINC000414672233 428369870 /nfs/dbraw/zinc/36/98/70/428369870.db2.gz AMPVJKJYZXCZOO-OAGGEKHMSA-N 2 0 304.434 2.536 20 0 DFADRP C[C@@H](c1cccc(Cl)c1)[N@H+](C)C[C@H]1CCCN(C(=O)C[NH3+])C1 ZINC000414670249 428371047 /nfs/dbraw/zinc/37/10/47/428371047.db2.gz CSROAWDXTGIETD-UONOGXRCSA-N 2 0 323.868 2.530 20 0 DFADRP CCCCCC(=O)NC1CC[NH+](C[C@@H]2CC[NH2+][C@@H](C)C2)CC1 ZINC000414688701 428374755 /nfs/dbraw/zinc/37/47/55/428374755.db2.gz DYANVBNWVYVZNP-JKSUJKDBSA-N 2 0 309.498 2.535 20 0 DFADRP Cc1ccccc1CN1CC[NH+](C[C@H]2CC[NH2+][C@H](C)C2)CC1 ZINC000414684448 428376615 /nfs/dbraw/zinc/37/66/15/428376615.db2.gz VSHXEXCOUJJUMX-MSOLQXFVSA-N 2 0 301.478 2.501 20 0 DFADRP C[C@@H]1C[C@@H](C[N@H+](C)[C@H]2CCCN(c3ccccc3)C2)CC[NH2+]1 ZINC000414698133 428378773 /nfs/dbraw/zinc/37/87/73/428378773.db2.gz IPPRKZCMOFBPDF-AOIWGVFYSA-N 2 0 301.478 2.975 20 0 DFADRP CCC1CCC([N@H+](C[C@H]2CCCN(C(=O)C[NH3+])C2)C2CC2)CC1 ZINC000414694629 428379153 /nfs/dbraw/zinc/37/91/53/428379153.db2.gz DLIWEYNRFKVJBO-CGZBRXJRSA-N 2 0 321.509 2.617 20 0 DFADRP C[C@@H]1C[C@@H](C[N@@H+]2CCC[C@@H](C[NH+]3CCCCCC3)C2)CC[NH2+]1 ZINC000414692779 428379342 /nfs/dbraw/zinc/37/93/42/428379342.db2.gz LQHKWOACJQAWPG-QYZOEREBSA-N 3 0 307.526 2.963 20 0 DFADRP C[C@@H]1C[N@H+](C)C[C@H]1NC[C@H]1CCCC[NH+](Cc2ccccc2)C1 ZINC000353081714 428380355 /nfs/dbraw/zinc/38/03/55/428380355.db2.gz OEPQHUVKVKGWIK-MISYRCLQSA-N 2 0 315.505 2.828 20 0 DFADRP CCC(C)(C)[NH2+][C@H](C)C(=O)N1CCC([NH+]2CCCCC2)CC1 ZINC000347030165 428413767 /nfs/dbraw/zinc/41/37/67/428413767.db2.gz AWYGUUBURBUCIY-OAHLLOKOSA-N 2 0 309.498 2.630 20 0 DFADRP C[C@@H]1C[N@H+](CCCCC(F)(F)F)CC[C@H]1N1CC[NH+](C)CC1 ZINC000371301053 428383135 /nfs/dbraw/zinc/38/31/35/428383135.db2.gz CWZANTKCSRPXML-HUUCEWRRSA-N 2 0 321.431 2.677 20 0 DFADRP C[N@H+](C[C@H]1CC12CC[NH+](CC[C@H]1CCC[NH+]1C)CC2)C1CC1 ZINC000371322051 428383468 /nfs/dbraw/zinc/38/34/68/428383468.db2.gz VOKNMIMVMTUVSE-IAGOWNOFSA-N 3 0 305.510 2.667 20 0 DFADRP C[C@H]1C[C@@H](CN(C)Cc2nc(C(F)(F)F)cs2)CC[NH2+]1 ZINC000414713717 428383527 /nfs/dbraw/zinc/38/35/27/428383527.db2.gz WQKCFPHJZGOUBZ-UWVGGRQHSA-N 2 0 307.385 2.982 20 0 DFADRP C[C@@H]1C[C@@H](C[N@H+](C)[C@@H]2CCCN(c3ccccc3)C2=O)CC[NH2+]1 ZINC000414710145 428383749 /nfs/dbraw/zinc/38/37/49/428383749.db2.gz RLZITUIHTGZTMV-SOLBZPMBSA-N 2 0 315.461 2.502 20 0 DFADRP C[C@@H]1C[C@@H](C[NH+]2CCC(N(C)c3ccccc3)CC2)CC[NH2+]1 ZINC000414712655 428383784 /nfs/dbraw/zinc/38/37/84/428383784.db2.gz SVXUFTZGMBIHFV-SJORKVTESA-N 2 0 301.478 2.975 20 0 DFADRP C[C@@H]1C[C@H](C[N@@H+]2C[C@@H](C)O[C@@H](c3ccc(F)cc3)C2)CC[NH2+]1 ZINC000414715946 428385023 /nfs/dbraw/zinc/38/50/23/428385023.db2.gz WINCYHSHUWGTQR-ATNYBXOESA-N 2 0 306.425 2.976 20 0 DFADRP C[NH2+]CC1CC[NH+](Cc2cccc(OC)c2OC(F)F)CC1 ZINC000347030758 428413852 /nfs/dbraw/zinc/41/38/52/428413852.db2.gz XXOGVPASDXTUGD-UHFFFAOYSA-N 2 0 314.376 2.728 20 0 DFADRP COc1cc(C[NH2+]CC[C@H]2CCC[NH2+]C2)ccc1OC(C)C ZINC000414852666 428433649 /nfs/dbraw/zinc/43/36/49/428433649.db2.gz QNICGNAOQLXPTR-OAHLLOKOSA-N 2 0 306.450 2.962 20 0 DFADRP Cn1c(C[NH2+]CC[C@@H]2CCC[NH2+]C2)nc2cc(Cl)ccc21 ZINC000414844935 428433728 /nfs/dbraw/zinc/43/37/28/428433728.db2.gz RVIWHELKMLNNSO-LBPRGKRZSA-N 2 0 306.841 2.706 20 0 DFADRP C[NH2+]C[C@H](C)C[NH2+]Cc1ccc(OCc2csc(C)n2)cc1 ZINC000414848551 428433952 /nfs/dbraw/zinc/43/39/52/428433952.db2.gz XDGCEQHKKNLTCU-ZDUSSCGKSA-N 2 0 319.474 2.976 20 0 DFADRP C[C@@H]([NH3+])[C@H]1CCCN(Cc2cnn(-c3ccc(F)cc3)c2)C1 ZINC000347078582 428434014 /nfs/dbraw/zinc/43/40/14/428434014.db2.gz WCIZIFZAIXTWNR-HIFRSBDPSA-N 2 0 302.397 2.571 20 0 DFADRP CSC1(C[NH2+]Cc2cnn(C(C)(C)C)c2)CC[NH+](C)CC1 ZINC000353217132 428435108 /nfs/dbraw/zinc/43/51/08/428435108.db2.gz YNJDMAQKUMFNMW-UHFFFAOYSA-N 2 0 310.511 2.555 20 0 DFADRP C[C@@H]([NH2+]C1CCN(Cc2ccccc2)CC1)[C@@H]1CCC[NH2+]C1 ZINC000414856556 428435357 /nfs/dbraw/zinc/43/53/57/428435357.db2.gz OIPOESIZPNZHGQ-SJLPKXTDSA-N 2 0 301.478 2.629 20 0 DFADRP C[C@H](C[NH3+])C[NH2+]Cc1cc2ccccc2nc1N1CCCCC1 ZINC000414870668 428440427 /nfs/dbraw/zinc/44/04/27/428440427.db2.gz CCSVGBYLHBCGMH-OAHLLOKOSA-N 2 0 312.461 2.910 20 0 DFADRP Clc1ccc(CN[C@H]2CCC[NH2+]C2)cc1Br ZINC000414872218 428440642 /nfs/dbraw/zinc/44/06/42/428440642.db2.gz WDPPCHFZVLIABM-JTQLQIEISA-N 2 0 303.631 2.944 20 0 DFADRP CSc1cc(Br)ccc1C[NH2+]C[C@@H](C)C[NH3+] ZINC000414876533 428442234 /nfs/dbraw/zinc/44/22/34/428442234.db2.gz LMFSIQRRAAFIIU-VIFPVBQESA-N 2 0 303.269 2.855 20 0 DFADRP Cc1ccc(Cl)cc1NC(=O)C[C@H](C)[NH2+]CC1([NH3+])CCC1 ZINC000414881473 428444066 /nfs/dbraw/zinc/44/40/66/428444066.db2.gz SIVQVQXIBOOZTJ-LBPRGKRZSA-N 2 0 309.841 2.837 20 0 DFADRP COc1ccc2nc(C[NH2+]CC3=CC[N@H+](C)CC3)sc2c1 ZINC000353234973 428445280 /nfs/dbraw/zinc/44/52/80/428445280.db2.gz ZPEVGRUKGXMKKX-UHFFFAOYSA-N 2 0 303.431 2.656 20 0 DFADRP C[C@@H](C[NH3+])C[NH2+][C@@H](C)Cc1ccc(Br)cc1F ZINC000414887148 428447527 /nfs/dbraw/zinc/44/75/27/428447527.db2.gz YXCPSXZDQVDOMS-UWVGGRQHSA-N 2 0 303.219 2.704 20 0 DFADRP C[C@H](c1ccccc1)N1CC[C@@H]([NH2+]CC2(C)CC[NH2+]CC2)C1 ZINC000414896626 428450311 /nfs/dbraw/zinc/45/03/11/428450311.db2.gz CIXTVKLBNSSTAS-SJLPKXTDSA-N 2 0 301.478 2.801 20 0 DFADRP O=C(NCCCCC[NH+]1CCCCC1)[C@]12C[NH2+]C[C@@H]1CCCC2 ZINC000357242449 428451116 /nfs/dbraw/zinc/45/11/16/428451116.db2.gz OPCLBKSRJVWCIL-PKOBYXMFSA-N 2 0 321.509 2.539 20 0 DFADRP Cc1ccc(NC(=O)C[C@H](C)[NH2+]C[C@H]2CC[NH2+]C2)c(Cl)c1 ZINC000414902357 428452470 /nfs/dbraw/zinc/45/24/70/428452470.db2.gz HFHPHXAURHFPES-STQMWFEESA-N 2 0 309.841 2.565 20 0 DFADRP CCCOc1ccc(C[NH2+]C[C@@]2(C)CCC[NH2+]C2)cc1OC ZINC000414905357 428452973 /nfs/dbraw/zinc/45/29/73/428452973.db2.gz ONJRLUFBEGDSQB-SFHVURJKSA-N 2 0 306.450 2.963 20 0 DFADRP Cc1nn(-c2ccccc2)c(C)c1C[NH2+]CC1(C)CC[NH2+]CC1 ZINC000414905768 428452998 /nfs/dbraw/zinc/45/29/98/428452998.db2.gz OSJHFYCLWWZCQF-UHFFFAOYSA-N 2 0 312.461 2.968 20 0 DFADRP CCC[N@H+](Cc1cccc(OCCOC)c1)C1CC[NH2+]CC1 ZINC000347117677 428454753 /nfs/dbraw/zinc/45/47/53/428454753.db2.gz WYYZHYSYHCGPHZ-UHFFFAOYSA-N 2 0 306.450 2.676 20 0 DFADRP CC[C@@H](C[NH+]1CCC([N@H+](C)C[C@H](C)O)CC1)c1ccccc1 ZINC000353260986 428455399 /nfs/dbraw/zinc/45/53/99/428455399.db2.gz PJRUGIHEYYRVRI-IRXDYDNUSA-N 2 0 304.478 2.957 20 0 DFADRP Cc1nc(COc2ccc(C[NH2+]CCCC[NH3+])cc2)cs1 ZINC000414913491 428455643 /nfs/dbraw/zinc/45/56/43/428455643.db2.gz VZJTXZPQXPJIFH-UHFFFAOYSA-N 2 0 305.447 2.859 20 0 DFADRP CC[NH+]1CCN([C@@H](C)C[NH2+][C@H](c2cccnc2)C2CCC2)CC1 ZINC000360837709 428458946 /nfs/dbraw/zinc/45/89/46/428458946.db2.gz QUYSRMDVRUUDGB-LPHOPBHVSA-N 2 0 316.493 2.538 20 0 DFADRP [NH3+][C@H]1CCC[C@H]([NH2+]Cc2ccc(Br)cc2F)C1 ZINC000414927982 428459018 /nfs/dbraw/zinc/45/90/18/428459018.db2.gz PSNGIMFBGVZFAW-RYUDHWBXSA-N 2 0 301.203 2.948 20 0 DFADRP C[C@@H]1CC[NH2+]C[C@H]1NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000414928170 428459177 /nfs/dbraw/zinc/45/91/77/428459177.db2.gz MPIAIXSJBFSYEG-MNIJEXPFSA-N 2 0 313.489 2.770 20 0 DFADRP CC(=O)Nc1ccc(C[N@@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)cc1 ZINC000386768828 428459626 /nfs/dbraw/zinc/45/96/26/428459626.db2.gz HHJVVQSPBHAAPC-AEFFLSMTSA-N 2 0 301.434 2.609 20 0 DFADRP CC[NH+](CC)Cc1ccccc1CNC(=O)CCC(C)(C)[NH3+] ZINC000387238423 428461828 /nfs/dbraw/zinc/46/18/28/428461828.db2.gz KFFJWAFBOAICKL-UHFFFAOYSA-N 2 0 305.466 2.662 20 0 DFADRP C[C@@H]1C[C@H](N[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)CC[NH2+]1 ZINC000414944856 428464440 /nfs/dbraw/zinc/46/44/40/428464440.db2.gz HLGSNUWDFIJJNK-UKBAYJJMSA-N 2 0 301.478 2.770 20 0 DFADRP Cc1nn(-c2ccc(F)cc2)cc1C[NH2+][C@H]1CCCC[C@@H]1C[NH3+] ZINC000414803237 428416515 /nfs/dbraw/zinc/41/65/15/428416515.db2.gz NJLQXIBZUYYOGH-KDOFPFPSSA-N 2 0 316.424 2.927 20 0 DFADRP COc1cc(C[NH2+][C@H]2CCCC[C@H]2C[NH3+])cc(Cl)c1OC ZINC000414811799 428417947 /nfs/dbraw/zinc/41/79/47/428417947.db2.gz WOPTVYZGLFPXFK-JSGCOSHPSA-N 2 0 312.841 2.964 20 0 DFADRP COCCCOc1cccc(C[N@@H+]2CCC[C@@H]([C@H](C)[NH3+])C2)c1 ZINC000347036022 428418857 /nfs/dbraw/zinc/41/88/57/428418857.db2.gz DZHXDEULGUTGIH-DOTOQJQBSA-N 2 0 306.450 2.661 20 0 DFADRP COc1ccc(C[C@H](C)[NH2+][C@H]2CCCC[C@H]2C[NH3+])cc1OC ZINC000414805951 428419376 /nfs/dbraw/zinc/41/93/76/428419376.db2.gz PZXKBVKRMHGPMF-BPUTZDHNSA-N 2 0 306.450 2.742 20 0 DFADRP [NH3+]C[C@H]1CCC[N@H+](Cc2c[nH]nc2-c2cccc(Cl)c2)C1 ZINC000347043439 428419784 /nfs/dbraw/zinc/41/97/84/428419784.db2.gz MURPYQHQLYRFFD-GFCCVEGCSA-N 2 0 304.825 2.901 20 0 DFADRP CC[C@H](Cc1ccc(OC)c(OC)c1)[NH2+]CC[C@H]1CC[NH2+]C1 ZINC000414827524 428423448 /nfs/dbraw/zinc/42/34/48/428423448.db2.gz HEHDYGYWGVJBNX-GDBMZVCRSA-N 2 0 306.450 2.614 20 0 DFADRP COc1ccc(C[NH2+]CC2(SC)CC[NH+](C)CC2)cc1OC ZINC000353190876 428424276 /nfs/dbraw/zinc/42/42/76/428424276.db2.gz KAKBUMMETIUBHJ-UHFFFAOYSA-N 2 0 324.490 2.621 20 0 DFADRP CSC1(C[NH2+][C@H]2CCO[C@H](C(C)C)C2)CC[NH+](C)CC1 ZINC000353195283 428424469 /nfs/dbraw/zinc/42/44/69/428424469.db2.gz RIKFUCKDDXLLJS-GJZGRUSLSA-N 2 0 300.512 2.607 20 0 DFADRP c1cnn(-c2cccc(C[NH+]3CCC([C@@H]4CCC[NH2+]4)CC3)c2)c1 ZINC000347050706 428425436 /nfs/dbraw/zinc/42/54/36/428425436.db2.gz RCZWFGHFHRVGAY-IBGZPJMESA-N 2 0 310.445 2.836 20 0 DFADRP C[C@@H](CC(=O)Nc1cccc(F)c1)[NH2+]CC[C@H]1CCC[NH2+]C1 ZINC000414830209 428427497 /nfs/dbraw/zinc/42/74/97/428427497.db2.gz BYBXZFDEVNBUJA-UONOGXRCSA-N 2 0 307.413 2.522 20 0 DFADRP CCOc1cc(C[NH2+]CC[C@H]2CC[NH2+]C2)ccc1OC(F)F ZINC000414833796 428427689 /nfs/dbraw/zinc/42/76/89/428427689.db2.gz QGLXYSFVKBQBDP-GFCCVEGCSA-N 2 0 314.376 2.776 20 0 DFADRP COc1cccc(C[NH2+]CC[C@@H]2CCC[NH2+]C2)c1OC(C)C ZINC000414843703 428429501 /nfs/dbraw/zinc/42/95/01/428429501.db2.gz CKGCJACSVUPAEI-HNNXBMFYSA-N 2 0 306.450 2.962 20 0 DFADRP COc1ccc(C[C@H](C)[NH2+]CC[C@H]2CCC[NH2+]C2)cc1OC ZINC000414850092 428432417 /nfs/dbraw/zinc/43/24/17/428432417.db2.gz YRKWTFODBIWPKW-LSDHHAIUSA-N 2 0 306.450 2.614 20 0 DFADRP c1ccc(CCN2CCC([NH2+]CC[C@H]3CCC[NH2+]C3)CC2)cc1 ZINC000414846243 428432522 /nfs/dbraw/zinc/43/25/22/428432522.db2.gz ULELHQPPKRIOHO-LJQANCHMSA-N 2 0 315.505 2.673 20 0 DFADRP C[C@@H](NC1CC[NH+](CCc2ccccc2)CC1)[C@@H]1CCC[NH2+]C1 ZINC000414847574 428433119 /nfs/dbraw/zinc/43/31/19/428433119.db2.gz FUTVUJMSRHRFRQ-IEBWSBKVSA-N 2 0 315.505 2.671 20 0 DFADRP C[C@H]([NH2+]Cc1cc(Cl)c2c(c1)OCCO2)[C@@H]1CCC[NH2+]C1 ZINC000414846935 428433237 /nfs/dbraw/zinc/43/32/37/428433237.db2.gz FMGBBZLDBHEBET-WCQYABFASA-N 2 0 310.825 2.589 20 0 DFADRP Cc1ccc(NC(=O)C[C@@H](C)[NH2+]CC[C@@H]2CCC[NH2+]C2)c(C)c1 ZINC000414845313 428433257 /nfs/dbraw/zinc/43/32/57/428433257.db2.gz SEJTYMATILBHLE-SJORKVTESA-N 2 0 317.477 3.000 20 0 DFADRP CC(C)(C)CC(=O)N1CCC([NH2+]CC2([NH3+])CCCCC2)CC1 ZINC000414850569 428433291 /nfs/dbraw/zinc/43/32/91/428433291.db2.gz ZMYHBNLTIMREIT-UHFFFAOYSA-N 2 0 309.498 2.665 20 0 DFADRP COc1ccc(C[NH2+]CCC[C@@H]2CCC[NH2+]2)c(OC(F)F)c1 ZINC000414983626 428480094 /nfs/dbraw/zinc/48/00/94/428480094.db2.gz ZWNLGHVTJYMWTP-CYBMUJFWSA-N 2 0 314.376 2.918 20 0 DFADRP CC(C)C[C@H](C)C[C@@H](C)[NH2+][C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1 ZINC000414984064 428480276 /nfs/dbraw/zinc/48/02/76/428480276.db2.gz FSASJAIVMKPOGW-MGTHKWJCSA-N 2 0 323.525 2.684 20 0 DFADRP [NH3+][C@@H]1CCC[C@H](C[NH2+]Cc2ccc(OC[C@@H]3CCCO3)cc2)C1 ZINC000415003474 428484958 /nfs/dbraw/zinc/48/49/58/428484958.db2.gz XHHJPBRRLORJSX-SCTDSRPQSA-N 2 0 318.461 2.852 20 0 DFADRP Brc1ccc(C[NH2+][C@@H]2C[C@H]2C2CC[NH2+]CC2)cc1 ZINC000415005394 428487122 /nfs/dbraw/zinc/48/71/22/428487122.db2.gz JFZUFJROUZMMJC-LSDHHAIUSA-N 2 0 309.251 2.927 20 0 DFADRP C[C@@H]1C[C@H](N[C@H]2C[NH2+]CCC2(F)F)CC[N@@H+]1Cc1ccccc1 ZINC000415008011 428487850 /nfs/dbraw/zinc/48/78/50/428487850.db2.gz VLJKWJHOFMYBPG-OIISXLGYSA-N 2 0 323.431 2.626 20 0 DFADRP COc1cc(C[NH2+]C[C@@H]2CCC[C@@H]([NH3+])C2)ccc1OC(F)F ZINC000415005950 428487924 /nfs/dbraw/zinc/48/79/24/428487924.db2.gz ZOEVVXBNOKYVAW-DGCLKSJQSA-N 2 0 314.376 2.904 20 0 DFADRP CC(C)(CCC[NH3+])[NH2+]Cc1ccc(OC[C@H]2CCCO2)cc1 ZINC000415012317 428488181 /nfs/dbraw/zinc/48/81/81/428488181.db2.gz JKHAPVUVHUYNTP-QGZVFWFLSA-N 2 0 306.450 2.852 20 0 DFADRP C[C@H](Cc1ccc(Br)c(F)c1)[NH2+][C@@H](C)[C@H](C)[NH3+] ZINC000415004833 428488883 /nfs/dbraw/zinc/48/88/83/428488883.db2.gz AGLORDCIDWWMDE-UTLUCORTSA-N 2 0 303.219 2.845 20 0 DFADRP C[N@H+]1CC=C(C[NH2+]Cc2cccc(Br)c2F)CC1 ZINC000394927297 428490473 /nfs/dbraw/zinc/49/04/73/428490473.db2.gz KDPTXVLVKKGLRC-UHFFFAOYSA-N 2 0 313.214 2.940 20 0 DFADRP COc1sc(C[NH2+][C@@H](C)CCC[NH3+])cc1Br ZINC000415020233 428491168 /nfs/dbraw/zinc/49/11/68/428491168.db2.gz JKBYQERHGFZRLI-QMMMGPOBSA-N 2 0 307.257 2.736 20 0 DFADRP COc1c(Br)cccc1C[NH2+][C@@H](C)CCC[NH3+] ZINC000415025397 428491591 /nfs/dbraw/zinc/49/15/91/428491591.db2.gz QWVQHEJZIIFKRY-JTQLQIEISA-N 2 0 301.228 2.675 20 0 DFADRP c1cnn(-c2cccc(C[N@@H+]3CCCC[C@H]3[C@@H]3CC[NH2+]C3)c2)c1 ZINC000415037692 428495420 /nfs/dbraw/zinc/49/54/20/428495420.db2.gz HDBHADHTINBRJS-MJGOQNOKSA-N 2 0 310.445 2.836 20 0 DFADRP CC[C@H](Cc1ccc(OC)c(OC)c1)[N@@H+]1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000415047098 428498350 /nfs/dbraw/zinc/49/83/50/428498350.db2.gz AHAFTUJNQVKKKI-IDHHARJASA-N 2 0 320.477 2.942 20 0 DFADRP C[C@@H]1C[N@H+](Cc2c[nH]nc2-c2ccccc2F)C[C@@]1(C)C[NH3+] ZINC000415049385 428499863 /nfs/dbraw/zinc/49/98/63/428499863.db2.gz AJTCCHLIJZQETN-SJKOYZFVSA-N 2 0 302.397 2.633 20 0 DFADRP Cc1ccc(NC(=O)C[C@@H](C)[N@@H+]2C[C@@H](C)[C@](C)(C[NH3+])C2)c(C)c1 ZINC000415051560 428500983 /nfs/dbraw/zinc/50/09/83/428500983.db2.gz GGAFXMGHYDXCCQ-GPMSIDNRSA-N 2 0 317.477 2.937 20 0 DFADRP Cc1ccccc1C[C@@H](C)[NH2+]C1CCC([NH+]2CCNCC2)CC1 ZINC000415050591 428501027 /nfs/dbraw/zinc/50/10/27/428501027.db2.gz ISHKULCTPIMRBW-QHGAOEGBSA-N 2 0 315.505 2.732 20 0 DFADRP CCc1cccc(C[N@@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@@H]32)c1 ZINC000372752706 428501646 /nfs/dbraw/zinc/50/16/46/428501646.db2.gz SRZQTUKCIZQGMV-CEXWTWQISA-N 2 0 302.462 2.933 20 0 DFADRP c1oc2ccccc2c1C[NH2+]C1CCC([NH+]2CCNCC2)CC1 ZINC000415058157 428502731 /nfs/dbraw/zinc/50/27/31/428502731.db2.gz STAKESBVYMGOOH-UHFFFAOYSA-N 2 0 313.445 2.739 20 0 DFADRP Cc1cc(C)cc(C[NH2+]C2CCC([NH+]3CCNCC3)CC2)c1 ZINC000415057700 428503362 /nfs/dbraw/zinc/50/33/62/428503362.db2.gz SGKLVCSUTLTBFI-UHFFFAOYSA-N 2 0 301.478 2.609 20 0 DFADRP CC(C)C[C@H]([NH2+][C@@H](C)C1CCCCC1)C(=O)NCC[NH+](C)C ZINC000347231840 428504224 /nfs/dbraw/zinc/50/42/24/428504224.db2.gz PMLGJLAJXWRUOF-RDJZCZTQSA-N 2 0 311.514 2.637 20 0 DFADRP C[C@H](N[C@H]1CC[C@@H](C)[NH2+]C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000399004826 428531587 /nfs/dbraw/zinc/53/15/87/428531587.db2.gz WUTAYZIQZWRNAH-JFRXWTBNSA-N 2 0 301.478 2.627 20 0 DFADRP COc1cc(C)c(C[N@@H+]2C[C@H](C[NH3+])[C@@H](C)C[C@@H]2C)cc1OC ZINC000397404253 428509288 /nfs/dbraw/zinc/50/92/88/428509288.db2.gz SKMDLXOTAVHAOO-NOLJZWGESA-N 2 0 306.450 2.817 20 0 DFADRP C[C@@H]1C[C@@H](C)[N@H+](Cc2cnn(Cc3ccccc3)c2)C[C@H]1C[NH3+] ZINC000397442233 428509412 /nfs/dbraw/zinc/50/94/12/428509412.db2.gz GFIRWRHMHIDQHP-GPMSIDNRSA-N 2 0 312.461 2.737 20 0 DFADRP C[C@@H]([NH2+][C@H]1CCC[NH2+]CC1)c1cccc(N2CCCC2=O)c1 ZINC000415079492 428512366 /nfs/dbraw/zinc/51/23/66/428512366.db2.gz IBCOHSNFLGBEOB-ZBFHGGJFSA-N 2 0 301.434 2.606 20 0 DFADRP C[C@H](C[C@@H]1CCC[NH2+]1)[NH2+][C@@H]1CCO[C@H]1c1ccc(F)c(F)c1 ZINC000415082295 428512457 /nfs/dbraw/zinc/51/24/57/428512457.db2.gz DDGHTDKSAHPKMN-KVPRVUCYSA-N 2 0 310.388 2.915 20 0 DFADRP Cc1ccc(C[NH+]2CCN(C[C@@H]3CCCC[N@H+]3C)CC2)c(C)c1 ZINC000353388241 428514037 /nfs/dbraw/zinc/51/40/37/428514037.db2.gz MSVITGHAJRVFQZ-FQEVSTJZSA-N 2 0 315.505 2.905 20 0 DFADRP COc1ccc([C@H](CNC2CC[NH2+]CC2)[NH+]2CCCCC2)cc1 ZINC000415087972 428514507 /nfs/dbraw/zinc/51/45/07/428514507.db2.gz UJVDBGIFDJLBJT-IBGZPJMESA-N 2 0 317.477 2.564 20 0 DFADRP CC(C)C[C@@H]([NH3+])C[NH2+]CC1CC[NH+](Cc2ccccc2)CC1 ZINC000415086107 428516357 /nfs/dbraw/zinc/51/63/57/428516357.db2.gz JESLGTFOBIAWFY-LJQANCHMSA-N 3 0 303.494 2.862 20 0 DFADRP C[C@]1(CN[C@H]2CCC[NH2+]CC2)CCC[N@@H+]1Cc1ccccc1 ZINC000398016718 428516411 /nfs/dbraw/zinc/51/64/11/428516411.db2.gz RCOSFLOMLNYRFS-RBUKOAKNSA-N 2 0 301.478 2.773 20 0 DFADRP C[C@]1(C[NH2+]CCCc2nc(-c3ccncc3)cs2)CC[NH2+]C1 ZINC000415088233 428516881 /nfs/dbraw/zinc/51/68/81/428516881.db2.gz VVMLBKFSMBIAQQ-QGZVFWFLSA-N 2 0 316.474 2.727 20 0 DFADRP CCOc1ccccc1C[NH+]1CCC([C@@H]2OCCC[C@H]2[NH3+])CC1 ZINC000415100479 428517539 /nfs/dbraw/zinc/51/75/39/428517539.db2.gz AKSUYLICRNFXEZ-MJGOQNOKSA-N 2 0 318.461 2.804 20 0 DFADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1N[C@@H]1CCC[NH2+]CC1 ZINC000398054371 428520149 /nfs/dbraw/zinc/52/01/49/428520149.db2.gz YYIRMXPVIHUCGA-BHIYHBOVSA-N 2 0 301.478 2.629 20 0 DFADRP [NH3+][C@H]1CCCO[C@@H]1C1CC[NH+](Cc2cc(F)cc(F)c2)CC1 ZINC000415106536 428522555 /nfs/dbraw/zinc/52/25/55/428522555.db2.gz JQULCDLYQOZZJD-DLBZAZTESA-N 2 0 310.388 2.683 20 0 DFADRP COc1cc(CN(C)CC[NH3+])c(-c2ccccc2)cc1OC ZINC000415115210 428523594 /nfs/dbraw/zinc/52/35/94/428523594.db2.gz WUUQJCKVQBZNBQ-UHFFFAOYSA-N 2 0 300.402 2.761 20 0 DFADRP C[C@H]1CCN(Cc2cnn(-c3ccc(Cl)cc3)c2)C[C@H]1C[NH3+] ZINC000415120883 428527530 /nfs/dbraw/zinc/52/75/30/428527530.db2.gz GMBOPBDQTVQJNV-DZGCQCFKSA-N 2 0 318.852 2.942 20 0 DFADRP Clc1cccc(C[N@@H+]2CC3(CC[NH2+]CC3)[C@@H]3COC[C@@H]32)c1 ZINC000415124936 428528491 /nfs/dbraw/zinc/52/84/91/428528491.db2.gz DBKXMTLKEKRKMY-CVEARBPZSA-N 2 0 306.837 2.540 20 0 DFADRP C[N@@H+](Cc1cnc(-c2ccncc2)s1)CC1CC[NH+](C)CC1 ZINC000353419226 428528521 /nfs/dbraw/zinc/52/85/21/428528521.db2.gz BJQMGAMGVVHKPR-UHFFFAOYSA-N 2 0 316.474 2.979 20 0 DFADRP C[C@@H](CC1CCCCC1)C[N@@H+]1CCC[C@H](n2cc(C[NH3+])nn2)C1 ZINC000415127442 428529338 /nfs/dbraw/zinc/52/93/38/428529338.db2.gz NBUDIAZJPDGXGF-YJBOKZPZSA-N 2 0 319.497 2.980 20 0 DFADRP CCCCN(CCCC)C(=O)C[NH+]1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000390224282 428471066 /nfs/dbraw/zinc/47/10/66/428471066.db2.gz QLJNPXIIUQNYSI-SFHVURJKSA-N 2 0 323.525 2.879 20 0 DFADRP C[C@@H]1C[C@H]([NH2+]Cc2ccc(OCc3ccncc3)cc2)CC[NH2+]1 ZINC000414955079 428471693 /nfs/dbraw/zinc/47/16/93/428471693.db2.gz TZNPLTXJRYGCGL-CRAIPNDOSA-N 2 0 311.429 2.891 20 0 DFADRP Cc1cc(NCC[NH+]2CCSCC2)c2cc(F)ccc2[nH+]1 ZINC000360882632 428475812 /nfs/dbraw/zinc/47/58/12/428475812.db2.gz ICTKYTWFGPWIPT-UHFFFAOYSA-N 2 0 305.422 2.565 20 0 DFADRP CC[NH+](CC)CCCC1CCN(C(=O)C[N@H+](CC)C2CC2)CC1 ZINC000360881809 428476728 /nfs/dbraw/zinc/47/67/28/428476728.db2.gz VTIXCDLOXOCMQM-UHFFFAOYSA-N 2 0 323.525 2.831 20 0 DFADRP COCC1(C[NH2+][C@@H](C)Cc2ccc(Cl)cc2)CC[NH2+]CC1 ZINC000414971726 428477593 /nfs/dbraw/zinc/47/75/93/428477593.db2.gz IYSRDAVNRAJBAJ-AWEZNQCLSA-N 2 0 310.869 2.877 20 0 DFADRP C[NH+](C)CCOC1CC[NH+](Cc2cnc(C3CCC3)s2)CC1 ZINC000353532307 428580258 /nfs/dbraw/zinc/58/02/58/428580258.db2.gz WCOCDYSSURMJQI-UHFFFAOYSA-N 2 0 323.506 2.953 20 0 DFADRP C[C@H]1CCC[C@H](C)C1[NH2+]Cc1ccnc(OCC[NH+](C)C)c1 ZINC000358235091 428590474 /nfs/dbraw/zinc/59/04/74/428590474.db2.gz HZNYDTHLBBCAND-GJZGRUSLSA-N 2 0 305.466 2.936 20 0 DFADRP C[C@H](Cc1ccccc1)C[N@@H+]1CC2(CC[NH2+]CC2)[C@@H]2COC[C@@H]21 ZINC000415133499 428532633 /nfs/dbraw/zinc/53/26/33/428532633.db2.gz CLZUJQKDOKFWSO-QRQLOZEOSA-N 2 0 314.473 2.566 20 0 DFADRP CCc1ccc(C[NH+]2CCC([C@@H]3OCCC[C@H]3[NH3+])CC2)cc1 ZINC000415139414 428534545 /nfs/dbraw/zinc/53/45/45/428534545.db2.gz ZQJIREZIGSCFBR-MOPGFXCFSA-N 2 0 302.462 2.967 20 0 DFADRP CC[C@H]1CCC[C@@H](C[N@@H+]2CC3(CC[NH2+]CC3)[C@@H]3COC[C@@H]32)C1 ZINC000415136392 428535991 /nfs/dbraw/zinc/53/59/91/428535991.db2.gz HIGIRUIPYTXUKO-MLHJIOFPSA-N 2 0 306.494 2.903 20 0 DFADRP Fc1ccc(N2CC[C@H]([NH2+][C@@H]3CCC[C@@H]3[C@@H]3CCC[NH2+]3)C2)cc1 ZINC000415140002 428537405 /nfs/dbraw/zinc/53/74/05/428537405.db2.gz MNAHRIVCMFLFII-WZGPROSRSA-N 2 0 317.452 2.915 20 0 DFADRP CC(C)[C@H](C(=O)NCC1([NH+]2CCCCC2)CCCCC1)[C@H](C)[NH3+] ZINC000399391453 428539533 /nfs/dbraw/zinc/53/95/33/428539533.db2.gz SNCPFTMSNGQZNB-IRXDYDNUSA-N 2 0 323.525 2.911 20 0 DFADRP CC[NH+](CC)Cc1ccccc1CNC(=O)[C@H](C(C)C)[C@H](C)[NH3+] ZINC000399399749 428539660 /nfs/dbraw/zinc/53/96/60/428539660.db2.gz WAOCEKWPQMTYHE-MAUKXSAKSA-N 2 0 319.493 2.764 20 0 DFADRP C[C@](O)(C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)C1CC1 ZINC000347316780 428541893 /nfs/dbraw/zinc/54/18/93/428541893.db2.gz MFRZZNZQDSDZRE-NXEWRWPSSA-N 2 0 314.473 2.933 20 0 DFADRP C[C@@H](NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)[C@H]1CCC[NH2+]1 ZINC000400349914 428544310 /nfs/dbraw/zinc/54/43/10/428544310.db2.gz MDZJGNRLVGRMSP-MNIJEXPFSA-N 2 0 313.489 2.912 20 0 DFADRP C[C@H](NCC1([N@H+](C)Cc2ccccc2)CCC1)[C@H]1CCC[NH2+]1 ZINC000400514515 428545428 /nfs/dbraw/zinc/54/54/28/428545428.db2.gz GCIRKPNSHMPPIB-FUHWJXTLSA-N 2 0 301.478 2.771 20 0 DFADRP COC[C@@H](Cc1ccccc1)[NH2+]CCC[NH+]1CCC(C)CC1 ZINC000347320972 428545925 /nfs/dbraw/zinc/54/59/25/428545925.db2.gz JSMDMQONQAUZKN-LJQANCHMSA-N 2 0 304.478 2.956 20 0 DFADRP C[C@H]([NH2+]CCCC[NH+](C)C)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000400748231 428547912 /nfs/dbraw/zinc/54/79/12/428547912.db2.gz UWLXTCQJHLDEMW-LSDHHAIUSA-N 2 0 313.486 2.563 20 0 DFADRP C[C@H](CC[NH+](C)C)[NH2+][C@H](C)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000400755858 428548301 /nfs/dbraw/zinc/54/83/01/428548301.db2.gz WZJVFMAYXJVSAQ-RBSFLKMASA-N 2 0 313.486 2.562 20 0 DFADRP C[C@H](NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1)[C@H]1CCC[NH2+]1 ZINC000400734282 428549251 /nfs/dbraw/zinc/54/92/51/428549251.db2.gz RIJBNGPKBJETCR-YTQUADARSA-N 2 0 301.478 2.629 20 0 DFADRP C[C@@H]1[C@H]([NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)CCN1Cc1ccccc1 ZINC000401018510 428550523 /nfs/dbraw/zinc/55/05/23/428550523.db2.gz JSFPYNLKKPSWNG-DABHTEOTSA-N 3 0 313.489 2.627 20 0 DFADRP c1ccc([C@H](C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)N2CCCC2)cc1 ZINC000401003926 428550544 /nfs/dbraw/zinc/55/05/44/428550544.db2.gz CQFWAFUVICLBIQ-WCIQWLHISA-N 2 0 313.489 2.801 20 0 DFADRP COCCOc1ccccc1C[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@H]21 ZINC000353465821 428551707 /nfs/dbraw/zinc/55/17/07/428551707.db2.gz ZLDCRVUWTKJLMC-KSZLIROESA-N 2 0 318.461 2.674 20 0 DFADRP CC[N@@H+]1CC[C@H]([NH2+][C@@H]2CCc3cnn(C(C)C)c3C2)[C@@H](C)C1 ZINC000357597069 428551906 /nfs/dbraw/zinc/55/19/06/428551906.db2.gz GCIWRLIZTFKUMR-UAGQMJEPSA-N 2 0 304.482 2.641 20 0 DFADRP CCC[N@H+](CC)C[C@H](C)N[C@H](c1ncc[nH]1)c1cccnc1 ZINC000353482840 428556816 /nfs/dbraw/zinc/55/68/16/428556816.db2.gz NISXXUPZNWNJDN-HOCLYGCPSA-N 2 0 301.438 2.604 20 0 DFADRP C[C@@H](O)[C@](C)(C[NH2+][C@H]1CC[N@H+](C)C[C@H]1C)Cc1ccccc1 ZINC000357794083 428564173 /nfs/dbraw/zinc/56/41/73/428564173.db2.gz DXGBIANAXMKHFW-FPAYPSAMSA-N 2 0 304.478 2.546 20 0 DFADRP C[C@H]([NH3+])CCC(=O)N1C[C@H](C)[N@H+](Cc2ccccc2)[C@H](C)[C@H]1C ZINC000404326093 428564839 /nfs/dbraw/zinc/56/48/39/428564839.db2.gz VHVBCTWYEUJTLL-MWDXBVQZSA-N 2 0 317.477 2.624 20 0 DFADRP C[C@@H]1CN(C[C@H]2CC[NH2+]C2)[C@H](C)[C@H](C)[N@@H+]1Cc1ccccc1 ZINC000404334432 428565178 /nfs/dbraw/zinc/56/51/78/428565178.db2.gz BNYYXCOVGQISFU-VXNCWWDNSA-N 2 0 301.478 2.579 20 0 DFADRP C[C@@H]1C[NH+](CCCC[NH2+][C@@H]2CCC[C@@H]2CCF)C[C@@H](C)O1 ZINC000353499995 428567887 /nfs/dbraw/zinc/56/78/87/428567887.db2.gz FDNAMLJGXDQHCV-QBPKDAKJSA-N 2 0 300.462 2.994 20 0 DFADRP C[N@H+](Cc1ccccc1)CC(C)(C)CN1CC[NH+]2CCC[C@H]2C1 ZINC000353499592 428568883 /nfs/dbraw/zinc/56/88/83/428568883.db2.gz VMCCUTKCNJBAJH-IBGZPJMESA-N 2 0 315.505 2.925 20 0 DFADRP COCCNc1ccc(C[NH2+][C@@H]2CC[N@H+](C)[C@@H]3CCC[C@H]32)cc1 ZINC000353513125 428572047 /nfs/dbraw/zinc/57/20/47/428572047.db2.gz FBEQMRSVUYKSTK-IPMKNSEASA-N 2 0 317.477 2.707 20 0 DFADRP C(C[NH+]1CCCC1)OC1CC[NH+](CC[C@H]2CCCCO2)CC1 ZINC000347431913 428574590 /nfs/dbraw/zinc/57/45/90/428574590.db2.gz DYFIHMASWLPPCI-QGZVFWFLSA-N 2 0 310.482 2.522 20 0 DFADRP CCO[C@@H]1C[N@@H+]([C@@H](C)c2ccc(OC(F)F)cc2)C[C@H]1C[NH3+] ZINC000405585827 428576887 /nfs/dbraw/zinc/57/68/87/428576887.db2.gz LFZZBWFOROOTHJ-NJZAAPMLSA-N 2 0 314.376 2.645 20 0 DFADRP C[N@H+](CC1CC1)C[C@@H]1CC[NH+](C[C@H](O)CCc2ccccc2)C1 ZINC000347436927 428577406 /nfs/dbraw/zinc/57/74/06/428577406.db2.gz KNQXOJPCJVLYGI-VQTJNVASSA-N 2 0 316.489 2.644 20 0 DFADRP CC[N@H+](CCC[NH+](C)C)Cc1ccccc1-c1ccnn1C ZINC000353526030 428578674 /nfs/dbraw/zinc/57/86/74/428578674.db2.gz ZUXMAFMDKYRIQT-UHFFFAOYSA-N 2 0 300.450 2.861 20 0 DFADRP C[C@H]1C[C@H]1c1ccc(C[NH+]2CCC(OCC[NH+](C)C)CC2)o1 ZINC000353564526 428598414 /nfs/dbraw/zinc/59/84/14/428598414.db2.gz CSAQEACUONPNGE-WMLDXEAASA-N 2 0 306.450 2.946 20 0 DFADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@@]2(C)OCCc3sccc32)[C@H](C)C1 ZINC000353608197 428619879 /nfs/dbraw/zinc/61/98/79/428619879.db2.gz HTUINUCRAFIOLQ-UKPHBRMFSA-N 2 0 308.491 2.856 20 0 DFADRP CC(C)c1nc(CN2CCC3(C[C@@H]3C[N@H+](C)C3CC3)CC2)no1 ZINC000362105402 428623291 /nfs/dbraw/zinc/62/32/91/428623291.db2.gz HJQZJZHFOCLUFQ-CQSZACIVSA-N 2 0 318.465 2.889 20 0 DFADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]C[C@@]1(C)OCCc2sccc21 ZINC000353621054 428626084 /nfs/dbraw/zinc/62/60/84/428626084.db2.gz KOAXIXUBSJIGSY-GKLJAUDBSA-N 2 0 308.491 2.854 20 0 DFADRP CCC1(CC)[C@H]([NH2+]C2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)C[C@H]1OC ZINC000344301953 428628603 /nfs/dbraw/zinc/62/86/03/428628603.db2.gz RYGJEPNYUHAYPS-BRSBDYLESA-N 2 0 324.509 2.548 20 0 DFADRP CCOC[C@H]1CCC[C@@H]1[NH2+]CC1(SC)CC[NH+](C)CC1 ZINC000353627352 428629464 /nfs/dbraw/zinc/62/94/64/428629464.db2.gz VNSIRPFLRHBDSR-CABCVRRESA-N 2 0 300.512 2.609 20 0 DFADRP CC[NH2+]Cc1cccc(NC(=O)N(CC[NH+](C)C)C(C)C)c1 ZINC000415930351 428630250 /nfs/dbraw/zinc/63/02/50/428630250.db2.gz ITGNFZULULDHQD-UHFFFAOYSA-N 2 0 306.454 2.600 20 0 DFADRP CC[NH2+]Cc1ccccc1NC(=O)N1C[C@@H](C)[N@H+](CC)C[C@H]1C ZINC000415934556 428631336 /nfs/dbraw/zinc/63/13/36/428631336.db2.gz SDRAQWFHAMQLBX-HUUCEWRRSA-N 2 0 318.465 2.743 20 0 DFADRP CC[C@H]1CCCC[N@@H+]1CCNC(=O)Nc1ccc(C[NH2+]C)cc1 ZINC000415975511 428639935 /nfs/dbraw/zinc/63/99/35/428639935.db2.gz UCBSREDIQLFIHY-KRWDZBQOSA-N 2 0 318.465 2.792 20 0 DFADRP C[N@H+](CCNC1CC[NH+](CCC(F)(F)F)CC1)C1CCCC1 ZINC000358719043 428640735 /nfs/dbraw/zinc/64/07/35/428640735.db2.gz HWHMICYSCMAIBF-UHFFFAOYSA-N 2 0 321.431 2.867 20 0 DFADRP C[NH2+]Cc1ccc(NC(=O)NC[C@H]2CCC[N@@H+]2CC(C)C)cc1 ZINC000415987536 428642439 /nfs/dbraw/zinc/64/24/39/428642439.db2.gz YAXXYLQZRLMKLY-QGZVFWFLSA-N 2 0 318.465 2.648 20 0 DFADRP C[NH2+]Cc1ccc(NC(=O)NC[C@H]2CC[N@H+](CC(C)C)C2)cc1 ZINC000415985686 428642671 /nfs/dbraw/zinc/64/26/71/428642671.db2.gz TYISGGLRWTYZOR-MRXNPFEDSA-N 2 0 318.465 2.505 20 0 DFADRP COCC[C@H](COC)[NH2+][C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000353642427 428635690 /nfs/dbraw/zinc/63/56/90/428635690.db2.gz LMRBAWNAFDSOHJ-YTQUADARSA-N 2 0 320.477 2.538 20 0 DFADRP CCc1cccc(F)c1C[N@H+]1CC[C@@H](N2CC[NH+](CC)CC2)C1 ZINC000353664505 428647909 /nfs/dbraw/zinc/64/79/09/428647909.db2.gz XFHQSORHDSJEKJ-QGZVFWFLSA-N 2 0 319.468 2.600 20 0 DFADRP CCC[N@H+](CC)C[C@H](C)NC(=O)Nc1ccc2c(c1)C[NH2+]C2 ZINC000416015631 428647959 /nfs/dbraw/zinc/64/79/59/428647959.db2.gz UBLSUSCXLOANPV-ZDUSSCGKSA-N 2 0 304.438 2.532 20 0 DFADRP CC(C)N(C(=O)[C@H](C)[N@@H+]1CCCC2(CC[NH+](C)CC2)C1)C(C)C ZINC000374073984 428662126 /nfs/dbraw/zinc/66/21/26/428662126.db2.gz GRIJTWDQPGCXMW-KRWDZBQOSA-N 2 0 323.525 2.828 20 0 DFADRP CC(C)N(C(=O)[C@@H](C)[N@@H+]1CCCC2(CC[NH+](C)CC2)C1)C(C)C ZINC000374073985 428662464 /nfs/dbraw/zinc/66/24/64/428662464.db2.gz GRIJTWDQPGCXMW-QGZVFWFLSA-N 2 0 323.525 2.828 20 0 DFADRP COCCC[NH+]1CCC([NH2+]C[C@H]2C[C@@H]2c2ccccc2)CC1 ZINC000348239507 428675010 /nfs/dbraw/zinc/67/50/10/428675010.db2.gz GLCHDZVARFCFNX-IEBWSBKVSA-N 2 0 302.462 2.881 20 0 DFADRP C[NH+](C)CC1(C[NH2+][C@@H]2CCO[C@@H](C(F)(F)F)C2)CCCC1 ZINC000348383065 428727134 /nfs/dbraw/zinc/72/71/34/428727134.db2.gz INTJNBVTKLGXEX-CHWSQXEVSA-N 2 0 308.388 2.808 20 0 DFADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]C[C@H]2CCCSC2)[C@H](C)C1 ZINC000348249789 428680267 /nfs/dbraw/zinc/68/02/67/428680267.db2.gz ZGWFPMMFJLOEFA-ZACQAIPSSA-N 2 0 314.539 2.856 20 0 DFADRP C[C@H]([NH2+][C@@H]1CCCN(C)[C@@H]1C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000348258318 428682879 /nfs/dbraw/zinc/68/28/79/428682879.db2.gz AARYFQJTLCBBMX-KVPLUYHFSA-N 2 0 315.505 2.969 20 0 DFADRP C[N@H+](CC1CC1)C[C@H]1CC[NH+](CCCCCn2cccn2)C1 ZINC000348264919 428685117 /nfs/dbraw/zinc/68/51/17/428685117.db2.gz BXEOIMNNQYYPAU-GOSISDBHSA-N 2 0 304.482 2.717 20 0 DFADRP C[C@H]1C[C@@H]([NH2+]Cc2c[nH]nc2-c2ccc(F)cc2)CC[N@@H+]1C ZINC000344636686 428686048 /nfs/dbraw/zinc/68/60/48/428686048.db2.gz VKRRWTHBCBXSEN-LRDDRELGSA-N 2 0 302.397 2.788 20 0 DFADRP CCCNC(=O)CCC[N@@H+]1CCC[C@@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000411286893 428771269 /nfs/dbraw/zinc/77/12/69/428771269.db2.gz YGRKLJARFDILJZ-ZWKOTPCHSA-N 2 0 323.525 2.879 20 0 DFADRP CC[N@@H+]1CC[C@H]([NH2+]CCc2ccc(OC)cc2OC)[C@@H](C)C1 ZINC000345146531 428773797 /nfs/dbraw/zinc/77/37/97/428773797.db2.gz BDSZDYLCEDOTPA-YOEHRIQHSA-N 2 0 306.450 2.566 20 0 DFADRP CC(C)SCC[NH2+][C@@H]1CC[N@H+](C[C@@H]2CCCO2)C[C@@H]1C ZINC000374906860 428780980 /nfs/dbraw/zinc/78/09/80/428780980.db2.gz CODANBJQBMIZQB-HRCADAONSA-N 2 0 300.512 2.607 20 0 DFADRP CC(C)[C@H](C[NH2+][C@@H](C)C1C(C)(C)C1(C)C)N1CC[NH+](C)CC1 ZINC000353946824 428788737 /nfs/dbraw/zinc/78/87/37/428788737.db2.gz VTNODXGODUNCFY-HOTGVXAUSA-N 2 0 309.542 2.919 20 0 DFADRP C[C@H](CC[NH+]1C[C@@H](C)OC[C@H]1C)CC[N@@H+]1C[C@H](C)OC[C@@H]1C ZINC000411145828 428746789 /nfs/dbraw/zinc/74/67/89/428746789.db2.gz MGWQDQBCPPKQLN-PFJGLKMASA-N 2 0 312.498 2.621 20 0 DFADRP NC(=O)[C@H]1CCCC[N@@H+]1Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000411161862 428750517 /nfs/dbraw/zinc/75/05/17/428750517.db2.gz ZGDIYTHJOONFIU-GOSISDBHSA-N 2 0 315.461 2.512 20 0 DFADRP C[N@H+](C[C@@H]1CC12CC[NH+](Cc1ccc(F)nc1)CC2)C1CC1 ZINC000375298132 428845323 /nfs/dbraw/zinc/84/53/23/428845323.db2.gz SKILRXWGLSHGGC-HNNXBMFYSA-N 2 0 303.425 2.917 20 0 DFADRP CC[N@H+](C)C[C@H]1CCN(Cc2cnc(-c3ccncc3)s2)C1 ZINC000354078450 428849252 /nfs/dbraw/zinc/84/92/52/428849252.db2.gz RUXQOZIILCQUKZ-CQSZACIVSA-N 2 0 316.474 2.979 20 0 DFADRP Cc1ccn2c(CN3CC[C@@H](C[N@H+](C)CC4CC4)C3)cnc2c1 ZINC000354076981 428850204 /nfs/dbraw/zinc/85/02/04/428850204.db2.gz BDRXKYXVLOHVRF-KRWDZBQOSA-N 2 0 312.461 2.806 20 0 DFADRP C[N@H+](CCc1cncs1)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000411432644 428796821 /nfs/dbraw/zinc/79/68/21/428796821.db2.gz WTGYKTRTRBVDAK-UHFFFAOYSA-N 2 0 316.474 2.929 20 0 DFADRP CCCC[N@@H+]1CCCC[C@H]1CNC(=O)[C@@H](CC)[NH+](CC)CC ZINC000345198833 428796922 /nfs/dbraw/zinc/79/69/22/428796922.db2.gz BGEHPKYAUZARKO-DLBZAZTESA-N 2 0 311.514 2.878 20 0 DFADRP C[C@H]1CC[N@H+](Cc2cccc(C[NH+]3CCCCC3)c2)C[C@H]1O ZINC000411438919 428797673 /nfs/dbraw/zinc/79/76/73/428797673.db2.gz CYNYWVRFNRZODA-QFBILLFUSA-N 2 0 302.462 2.875 20 0 DFADRP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NCC(C)(C)[NH+](C)C ZINC000362806358 428806113 /nfs/dbraw/zinc/80/61/13/428806113.db2.gz NHHUAUPTOYIPCI-FUHWJXTLSA-N 2 0 303.494 2.827 20 0 DFADRP C[C@@H]([NH2+]CCC(=O)OC(C)(C)C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000411515675 428807953 /nfs/dbraw/zinc/80/79/53/428807953.db2.gz IGFCAYXGLBPHAQ-CABCVRRESA-N 2 0 310.482 2.961 20 0 DFADRP C[C@H](C[S@@](C)=O)[N@H+](C)Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000411510696 428809125 /nfs/dbraw/zinc/80/91/25/428809125.db2.gz GYSNMSQBHIFNFW-OPAMFIHVSA-N 2 0 322.518 2.871 20 0 DFADRP CN1CC[C@@H](C[N@H+](C)C[C@H]2CCC(C)(C)O2)[C@@H]1c1cccnc1 ZINC000411584685 428820450 /nfs/dbraw/zinc/82/04/50/428820450.db2.gz QVRZGPVXASKQRT-KSZLIROESA-N 2 0 317.477 2.964 20 0 DFADRP C[C@@H]1C[C@H](NC[C@@H](C2CC2)[NH+](C)C)CC[N@@H+]1Cc1ccccc1 ZINC000359113293 428822505 /nfs/dbraw/zinc/82/25/05/428822505.db2.gz IKIIHHXBDIHNCR-AHRSYUTCSA-N 2 0 315.505 2.969 20 0 DFADRP Cc1cc(-n2ccnc2)ccc1C[N@H+]1CC[C@H]2CCN(C)C[C@@H]21 ZINC000375229829 428826568 /nfs/dbraw/zinc/82/65/68/428826568.db2.gz POYJSAVQOQAWHL-APWZRJJASA-N 2 0 310.445 2.707 20 0 DFADRP CC[NH+](CC)CC1CCN(C(=O)CC[C@H]2CCCC[N@@H+]2C)CC1 ZINC000354079991 428853323 /nfs/dbraw/zinc/85/33/23/428853323.db2.gz OAAFXMLJPSKLNN-GOSISDBHSA-N 2 0 323.525 2.831 20 0 DFADRP CC(C)C(C[N@@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@H](C)C1)C(C)C ZINC000375273061 428839408 /nfs/dbraw/zinc/83/94/08/428839408.db2.gz WQWQNVCVNYWTKI-MJGOQNOKSA-N 2 0 309.542 2.872 20 0 DFADRP c1ccc2c(NC[C@@H]3CCC[C@H]3[NH+]3CCOCC3)cc[nH+]c2c1 ZINC000363007857 428842372 /nfs/dbraw/zinc/84/23/72/428842372.db2.gz PBJKRRAKAUMGPQ-HNAYVOBHSA-N 2 0 311.429 2.570 20 0 DFADRP C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)NCC1([NH3+])CCCCC1 ZINC000417035485 428843031 /nfs/dbraw/zinc/84/30/31/428843031.db2.gz GUUNNNIUSZPPDZ-MRXNPFEDSA-N 2 0 324.513 2.602 20 0 DFADRP CC[N@@H+]1CCCC[C@@H]1C(=O)NCC1([NH+](C)C)CCCCCC1 ZINC000354062337 428843164 /nfs/dbraw/zinc/84/31/64/428843164.db2.gz YSDGREUKEVKVLT-MRXNPFEDSA-N 2 0 309.498 2.632 20 0 DFADRP Cc1cccc(C[NH+]2CCC(C)(C[NH+]3CCN(C)CC3)CC2)c1 ZINC000348839618 428855114 /nfs/dbraw/zinc/85/51/14/428855114.db2.gz WZCHLTCXBSKLEV-UHFFFAOYSA-N 2 0 315.505 2.845 20 0 DFADRP CC(C)[C@@H](C(=O)NC1CC[NH+](C2CCC(C)CC2)CC1)[NH+](C)C ZINC000363089508 428857088 /nfs/dbraw/zinc/85/70/88/428857088.db2.gz ICCQHBBSSMRYEN-VJFUWPCTSA-N 2 0 323.525 2.732 20 0 DFADRP CC(C)[C@@H]([NH2+]CCCC[N@@H+]1CCC[C@H]1CO)c1ccc(F)cn1 ZINC000354095190 428860665 /nfs/dbraw/zinc/86/06/65/428860665.db2.gz YXNLJOSJYZRIAX-FUHWJXTLSA-N 2 0 323.456 2.744 20 0 DFADRP C[N@H+](CCC1CC[NH2+]CC1)[C@@H]1CCCN(c2ccccc2)C1 ZINC000359222958 428872627 /nfs/dbraw/zinc/87/26/27/428872627.db2.gz ZBFIPFMPRDAYMP-LJQANCHMSA-N 2 0 301.478 2.977 20 0 DFADRP CC(C)[NH+]1CCC(NC(=O)C[NH2+][C@@H](C)[C@@H]2CCC[C@H](C)C2)CC1 ZINC000411877168 428875507 /nfs/dbraw/zinc/87/55/07/428875507.db2.gz QMHWCWKWKQNRFD-YESZJQIVSA-N 2 0 323.525 2.780 20 0 DFADRP C[N@H+](CCC1CC[NH2+]CC1)[C@H]1CCCN(c2ccccc2)C1=O ZINC000359223937 428875668 /nfs/dbraw/zinc/87/56/68/428875668.db2.gz RHBUCAKNTXUZAQ-SFHVURJKSA-N 2 0 315.461 2.504 20 0 DFADRP COCCCCN(C)Cc1nc2c(s1)C[N@@H+](C(C)C)CC2 ZINC000418145208 428887300 /nfs/dbraw/zinc/88/73/00/428887300.db2.gz MMAQSKGABJVXOV-UHFFFAOYSA-N 2 0 311.495 2.768 20 0 DFADRP CCC([NH3+])(CC)CNC(=O)NC[C@@H]1CCC[N@@H+]1C1CCCCC1 ZINC000418140653 428888909 /nfs/dbraw/zinc/88/89/09/428888909.db2.gz JXCAREXFQKGREP-INIZCTEOSA-N 2 0 324.513 2.600 20 0 DFADRP COCCN(CCC[NH+](C)C)Cc1ccc(F)c(Cl)c1 ZINC000349064159 428911469 /nfs/dbraw/zinc/91/14/69/428911469.db2.gz UGCVFXHMKIYYOC-UHFFFAOYSA-N 2 0 302.821 2.879 20 0 DFADRP CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCC[NH+]1CCC ZINC000349040484 428905699 /nfs/dbraw/zinc/90/56/99/428905699.db2.gz ASCNIEVQWVRNLQ-SJORKVTESA-N 2 0 309.498 2.632 20 0 DFADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)Cc1ccc(F)cc1 ZINC000349080150 428914003 /nfs/dbraw/zinc/91/40/03/428914003.db2.gz SLEPTPVPGPLJER-SFHVURJKSA-N 2 0 307.457 2.674 20 0 DFADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)Cc1ccccc1C ZINC000349077820 428914768 /nfs/dbraw/zinc/91/47/68/428914768.db2.gz QGOHQIUYEAZZQS-LJQANCHMSA-N 2 0 303.494 2.843 20 0 DFADRP C[N@@H+]1CC[C@H]([NH2+]Cc2ccnc(OC(F)F)c2)[C@H]2CCC[C@@H]21 ZINC000375788565 428971037 /nfs/dbraw/zinc/97/10/37/428971037.db2.gz JAYQVJDCYSWUNS-RDBSUJKOSA-N 2 0 311.376 2.645 20 0 DFADRP C[C@H](N[C@@H]1CCCC[NH2+]C1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000423549630 428971148 /nfs/dbraw/zinc/97/11/48/428971148.db2.gz HXFDMMSVDPBEDK-YTQUADARSA-N 2 0 301.478 2.629 20 0 DFADRP COc1ccc([C@H](O)[C@@H]2CCC[N@@H+]2CCC[NH+]2CCCC2)cc1 ZINC000363458698 428919451 /nfs/dbraw/zinc/91/94/51/428919451.db2.gz ACZWXJRZPHURQK-OALUTQOASA-N 2 0 318.461 2.679 20 0 DFADRP C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1[NH2+]CCC1=CC[NH2+]CC1 ZINC000423549125 428971292 /nfs/dbraw/zinc/97/12/92/428971292.db2.gz HJPXQJXZVUXWQX-XLIONFOSSA-N 2 0 313.489 2.796 20 0 DFADRP COC(=O)C[C@@H]1CC[C@H]([NH2+][C@H](CC[NH+](C)C)C(C)(C)C)[C@@H]1C ZINC000354332261 428971362 /nfs/dbraw/zinc/97/13/62/428971362.db2.gz HSWVTJNILXPNMX-FXUDXRNXSA-N 2 0 312.498 2.920 20 0 DFADRP C[C@@H](C[NH+]1CCCCCC1)NC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC000359332257 428924764 /nfs/dbraw/zinc/92/47/64/428924764.db2.gz REDHRYVQIQTCDT-WMZOPIPTSA-N 2 0 321.509 2.774 20 0 DFADRP CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](c1ccco1)[NH+](CC)CC ZINC000349142043 428925667 /nfs/dbraw/zinc/92/56/67/428925667.db2.gz HBOJKJYFAWNAJN-HOTGVXAUSA-N 2 0 321.465 2.653 20 0 DFADRP Cc1ccnc(NC[C@@H]2CC[N@@H+](C[C@H](O)CCC(C)C)C2)c1 ZINC000375638896 428930302 /nfs/dbraw/zinc/93/03/02/428930302.db2.gz KRDJBNVJPOGOHG-DLBZAZTESA-N 2 0 305.466 2.921 20 0 DFADRP CC[N@@H+]1CC[C@@H]([NH+](C)CCOc2ccc(OC)cc2)C[C@@H]1C ZINC000354226517 428930861 /nfs/dbraw/zinc/93/08/61/428930861.db2.gz WMRKMAUXOMWADO-JKSUJKDBSA-N 2 0 306.450 2.879 20 0 DFADRP CCN(C)c1ccc(C[N@@H+]2CC[C@H](C3CC[NH+](C)CC3)C2)cn1 ZINC000349191188 428936847 /nfs/dbraw/zinc/93/68/47/428936847.db2.gz NWLUZLBYBXUICV-SFHVURJKSA-N 2 0 316.493 2.701 20 0 DFADRP COC(=O)[C@@H](C)C[N@@H+]1CCC[C@@H]([NH+](C)Cc2ccccc2)CC1 ZINC000375673339 428937357 /nfs/dbraw/zinc/93/73/57/428937357.db2.gz FPODCWWEHKMPFV-FUHWJXTLSA-N 2 0 318.461 2.782 20 0 DFADRP Cn1ccnc1[C@@H]1CC[N@H+](Cc2nccn2-c2ccccc2)C1 ZINC000349196996 428938606 /nfs/dbraw/zinc/93/86/06/428938606.db2.gz VLRUYUDKPVPKGH-OAHLLOKOSA-N 2 0 307.401 2.595 20 0 DFADRP CC(C)[N@H+](C)CC(=O)NC[C@H]1CCC[NH+](C)[C@@H]1c1ccccc1 ZINC000375677905 428940330 /nfs/dbraw/zinc/94/03/30/428940330.db2.gz IYGWGNPXWIUHMB-IEBWSBKVSA-N 2 0 317.477 2.526 20 0 DFADRP CC(C)[NH+]1CCC([NH2+][C@@H]2CCC[C@@H](c3ccnn3C)C2)CC1 ZINC000375692105 428943702 /nfs/dbraw/zinc/94/37/02/428943702.db2.gz OABCLXJWOMDIHA-NVXWUHKLSA-N 2 0 304.482 2.909 20 0 DFADRP C[C@@H](CC[NH2+][C@H]1CCN(C2CC[NH+](C)CC2)C1)c1ccccc1 ZINC000375716540 428951241 /nfs/dbraw/zinc/95/12/41/428951241.db2.gz CKFLSFVZGFBTRO-HKUYNNGSSA-N 2 0 315.505 2.938 20 0 DFADRP C[C@@H]1CN(Cc2ccccc2)CC[C@H]1[NH2+]CCC1=CC[NH2+]CC1 ZINC000423549126 428972213 /nfs/dbraw/zinc/97/22/13/428972213.db2.gz HJPXQJXZVUXWQX-YLJYHZDGSA-N 2 0 313.489 2.796 20 0 DFADRP Cn1nccc1CN1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000375760120 428963368 /nfs/dbraw/zinc/96/33/68/428963368.db2.gz FGSBYPSYAMTLHN-IBGZPJMESA-N 2 0 310.445 2.518 20 0 DFADRP CN(C[C@H](O)c1cccc(Cl)c1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000375765434 428966572 /nfs/dbraw/zinc/96/65/72/428966572.db2.gz VTGCRJHMPGGQGC-WFVVYAPDSA-N 2 0 308.853 2.930 20 0 DFADRP C[C@@H]1C[C@@H]([NH2+]CCC2=CC[NH2+]CC2)CCN1Cc1ccccc1 ZINC000423538444 428967535 /nfs/dbraw/zinc/96/75/35/428967535.db2.gz MVZXFFOWDOWGFX-XLIONFOSSA-N 2 0 313.489 2.939 20 0 DFADRP COc1ccc(C[C@H](C)[NH2+][C@H]2CCCC[NH2+]C2)c(C)c1OC ZINC000423545869 428967673 /nfs/dbraw/zinc/96/76/73/428967673.db2.gz DXCJSRHSUAPKHG-BBRMVZONSA-N 2 0 306.450 2.675 20 0 DFADRP C[C@H]([NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1)c1ccc(-n2cccn2)cc1 ZINC000423537360 428969176 /nfs/dbraw/zinc/96/91/76/428969176.db2.gz COHNRRCOSOFDEC-DZJNRPSUSA-N 2 0 310.445 2.911 20 0 DFADRP C[C@H]([NH2+]CCC1=CC[NH2+]CC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000423536335 428969368 /nfs/dbraw/zinc/96/93/68/428969368.db2.gz HITYBKZDDATUMD-PXNSSMCTSA-N 3 0 313.489 2.796 20 0 DFADRP COc1ccc(CC[C@H](C)[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC000423555019 428970844 /nfs/dbraw/zinc/97/08/44/428970844.db2.gz XQWVTJYIADGXPG-LEUOFYLZSA-N 2 0 302.462 2.994 20 0 DFADRP C[N@@H+]1CC[C@H]([NH2+]Cc2cccc3c2OCCCO3)[C@H]2CCC[C@@H]21 ZINC000375788245 428970931 /nfs/dbraw/zinc/97/09/31/428970931.db2.gz IPLJFRWRMOLJCR-IKGGRYGDSA-N 2 0 316.445 2.810 20 0 DFADRP C[C@@H](NC(=O)CCC[NH+]1CCC([NH3+])CC1)c1cccc(Cl)c1 ZINC000423775945 429017192 /nfs/dbraw/zinc/01/71/92/429017192.db2.gz PWKQBGBOWQUSNO-CYBMUJFWSA-N 2 0 323.868 2.721 20 0 DFADRP CC(C)(C)OCCCC[NH+]1CCC(C[NH+]2CCOCC2)CC1 ZINC000354897115 429018057 /nfs/dbraw/zinc/01/80/57/429018057.db2.gz RHZHRBSUNBHIQO-UHFFFAOYSA-N 2 0 312.498 2.626 20 0 DFADRP C[N@@H+]1CCC[C@H]1CC[NH2+]C1(Cc2ccccc2)CCOCC1 ZINC000451934743 429021929 /nfs/dbraw/zinc/02/19/29/429021929.db2.gz DQNSIPKOZTYCOK-SFHVURJKSA-N 2 0 302.462 2.852 20 0 DFADRP CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)[C@H](C)[C@H]([NH3+])c1ccccc1 ZINC000423797564 429022299 /nfs/dbraw/zinc/02/22/99/429022299.db2.gz HXVLVSPADVOSPO-NXHRZFHOSA-N 2 0 317.477 2.559 20 0 DFADRP C[NH+]1CCC(CC[NH2+]Cc2ncc(C(F)(F)F)s2)CC1 ZINC000433317685 429023129 /nfs/dbraw/zinc/02/31/29/429023129.db2.gz JISSBCOZQZKIKS-UHFFFAOYSA-N 2 0 307.385 2.983 20 0 DFADRP C[N@H+](CCNC(=O)[C@H]1CCCC[NH+]1C1CCCC1)C1CCCC1 ZINC000433343970 429025269 /nfs/dbraw/zinc/02/52/69/429025269.db2.gz PTXQJDSQTOIDIP-GOSISDBHSA-N 2 0 321.509 2.774 20 0 DFADRP CCN(CCCN1CCC([NH2+]C(C)C)CC1)CC(F)(F)F ZINC000355088603 429026555 /nfs/dbraw/zinc/02/65/55/429026555.db2.gz PJNGSLULVAKJGV-UHFFFAOYSA-N 2 0 309.420 2.723 20 0 DFADRP C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC000433359695 429028590 /nfs/dbraw/zinc/02/85/90/429028590.db2.gz CWFAXQRUFSYDMT-NXHRZFHOSA-N 2 0 321.509 2.773 20 0 DFADRP CC[NH+]1CCN(CC(C)(C)[NH2+]C[C@H]2CCCCC2(F)F)CC1 ZINC000451983330 429032256 /nfs/dbraw/zinc/03/22/56/429032256.db2.gz KPWLDOMMHGIAMM-OAHLLOKOSA-N 2 0 317.468 2.818 20 0 DFADRP CC[NH+]1CCN(CC(C)(C)[NH2+]CCc2ccc(C)cc2)CC1 ZINC000451983305 429033250 /nfs/dbraw/zinc/03/32/50/429033250.db2.gz KNAIWINGBIJTQX-UHFFFAOYSA-N 2 0 303.494 2.543 20 0 DFADRP COc1ccc(O[C@H](C)C[NH2+][C@@H]2CC[N@H+](C)[C@H]3CCC[C@@H]32)cc1 ZINC000375782949 428973129 /nfs/dbraw/zinc/97/31/29/428973129.db2.gz PEJUYUXLBGTHPB-AXUOBQJMSA-N 2 0 318.461 2.925 20 0 DFADRP CC[C@H](C)[NH+]1CCN(CC[N@H+](C)Cc2ccc(F)cc2)CC1 ZINC000451831852 428990583 /nfs/dbraw/zinc/99/05/83/428990583.db2.gz BIDVLSNYOATONP-INIZCTEOSA-N 2 0 307.457 2.674 20 0 DFADRP CON1CCC([NH2+]C2CC[NH+]([C@H]3CCC[C@H](C)C3)CC2)CC1 ZINC000421399054 428992798 /nfs/dbraw/zinc/99/27/98/428992798.db2.gz PJGFOIDWYGGSMB-YJBOKZPZSA-N 2 0 309.498 2.645 20 0 DFADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]CC2(SC)CCC2)[C@H](C)C1 ZINC000433093683 428993182 /nfs/dbraw/zinc/99/31/82/428993182.db2.gz RQIDGWDTUBUWCS-CVEARBPZSA-N 2 0 314.539 2.999 20 0 DFADRP C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1CCc2nccn2C1 ZINC000375845976 428996041 /nfs/dbraw/zinc/99/60/41/428996041.db2.gz ZRKULJPJAZXBFQ-QRQLOZEOSA-N 3 0 324.472 2.698 20 0 DFADRP C[C@H](c1ccccc1F)N(C)C(=O)CCC[NH+]1CCC([NH3+])CC1 ZINC000433114118 428996214 /nfs/dbraw/zinc/99/62/14/428996214.db2.gz FFXHIONJKQBIMP-CQSZACIVSA-N 2 0 321.440 2.548 20 0 DFADRP CN(Cc1ccccc1Cl)C(=O)CCC[NH+]1CCC([NH3+])CC1 ZINC000433113537 428996503 /nfs/dbraw/zinc/99/65/03/428996503.db2.gz CUYXUXUPIALOLP-UHFFFAOYSA-N 2 0 323.868 2.502 20 0 DFADRP Cc1cc(C)cc([C@H](C)NC(=O)CCC[NH+]2CCC([NH3+])CC2)c1 ZINC000433162067 429002956 /nfs/dbraw/zinc/00/29/56/429002956.db2.gz YZIPROYMCVYGHH-INIZCTEOSA-N 2 0 317.477 2.684 20 0 DFADRP CC(C)[NH+]1CCN([C@H]2CC[N@@H+]([C@H](C)c3cccc(F)c3)C2)CC1 ZINC000375888010 429008663 /nfs/dbraw/zinc/00/86/63/429008663.db2.gz FJILGLKWHYLUJR-APWZRJJASA-N 2 0 319.468 2.987 20 0 DFADRP CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)CC[C@H]1CCC[NH2+]1 ZINC000423750257 429009495 /nfs/dbraw/zinc/00/94/95/429009495.db2.gz XHVREILWFBFAQP-GOSISDBHSA-N 2 0 317.477 2.629 20 0 DFADRP C[C@H](CC(=O)N(C)CC[N@H+](C)C1CCCCC1)C1CC[NH2+]CC1 ZINC000423763489 429010528 /nfs/dbraw/zinc/01/05/28/429010528.db2.gz RPDLTSDYLGMRCP-MRXNPFEDSA-N 2 0 323.525 2.735 20 0 DFADRP CC(C)[NH+]1CCN([C@H]2CC[N@@H+]([C@H](C)c3ccc(F)cc3)C2)CC1 ZINC000375903729 429013426 /nfs/dbraw/zinc/01/34/26/429013426.db2.gz IVUAGVPDSFWFIT-APWZRJJASA-N 2 0 319.468 2.987 20 0 DFADRP C[C@H](CCCC[NH3+])[NH2+][C@H](c1cnn(C)c1)c1cccc(F)c1 ZINC000423438643 429089186 /nfs/dbraw/zinc/08/91/86/429089186.db2.gz ROJYXDNFLIYZBR-DYVFJYSZSA-N 2 0 304.413 2.756 20 0 DFADRP CCC[N@H+](C)C[C@H]1CCN(C(=O)c2ccc([C@H](C)[NH3+])cc2)C1 ZINC000423446157 429089348 /nfs/dbraw/zinc/08/93/48/429089348.db2.gz SNSXDXSYYWFNBX-LSDHHAIUSA-N 2 0 303.450 2.510 20 0 DFADRP CC1(C)CCC[NH2+][C@H]1C(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000423438809 429089758 /nfs/dbraw/zinc/08/97/58/429089758.db2.gz NLFMAYJTXQQLQN-KRWDZBQOSA-N 2 0 321.509 2.678 20 0 DFADRP COCCOc1ccc([C@H](C)[NH2+]C[C@H]2CCC[C@H]([NH3+])C2)cc1 ZINC000423462364 429091026 /nfs/dbraw/zinc/09/10/26/429091026.db2.gz OYZWXUNTFFPCOA-ZOBUZTSGSA-N 2 0 306.450 2.880 20 0 DFADRP COc1ccc([C@@H](C)[NH2+]CCC[C@H]2CCC[NH2+]2)cc1NC(C)=O ZINC000423465941 429092508 /nfs/dbraw/zinc/09/25/08/429092508.db2.gz ADZJNEQKRFAUFT-CJNGLKHVSA-N 2 0 319.449 2.836 20 0 DFADRP CC(C)NC(=O)Nc1ccc([C@@H](C)[NH2+][C@@H](C)CCC[NH3+])cc1 ZINC000423471784 429093289 /nfs/dbraw/zinc/09/32/89/429093289.db2.gz ZTCGKKUBHDNKAF-UONOGXRCSA-N 2 0 306.454 2.995 20 0 DFADRP COc1ccccc1NC(=O)C[C@H](C)[NH2+]C[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000423474222 429095122 /nfs/dbraw/zinc/09/51/22/429095122.db2.gz YVVWLLLFYXJBFL-RRFJBIMHSA-N 2 0 319.449 2.519 20 0 DFADRP COCCOc1ccc([C@@H](C)[NH2+]CCC[C@H]2CCC[NH2+]2)cc1 ZINC000423478264 429095431 /nfs/dbraw/zinc/09/54/31/429095431.db2.gz KXFXVQNDOVISEM-WBVHZDCISA-N 2 0 306.450 2.895 20 0 DFADRP C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)[C@H]1CCCC[C@@]1(C)[NH3+] ZINC000423847316 429035984 /nfs/dbraw/zinc/03/59/84/429035984.db2.gz PZQOQFPVSBJWPU-SZVBFZGTSA-N 2 0 317.477 2.531 20 0 DFADRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@@H](C)C1(OC)CCCCC1 ZINC000421828238 429037192 /nfs/dbraw/zinc/03/71/92/429037192.db2.gz BSYKVGOJBBJLEN-JKSUJKDBSA-N 2 0 300.487 2.671 20 0 DFADRP COCCCN(C)CC[NH2+][C@H](C)Cc1ccc(F)cc1Cl ZINC000421831382 429038279 /nfs/dbraw/zinc/03/82/79/429038279.db2.gz LFPDQLIABNNHCN-CYBMUJFWSA-N 2 0 316.848 2.968 20 0 DFADRP COCCCN(C)CC[NH2+][C@@H](C)Cc1ccc(F)cc1Cl ZINC000421831383 429039377 /nfs/dbraw/zinc/03/93/77/429039377.db2.gz LFPDQLIABNNHCN-ZDUSSCGKSA-N 2 0 316.848 2.968 20 0 DFADRP CC[C@H]([NH3+])CN[C@@H](C)c1ccc(OC)c(Br)c1 ZINC000423482213 429096791 /nfs/dbraw/zinc/09/67/91/429096791.db2.gz XHVACXGLADYJKB-ONGXEEELSA-N 2 0 301.228 2.846 20 0 DFADRP C[NH2+]C[C@H](C)C[NH2+][C@H](Cc1ccccc1Cl)[C@H]1CCCO1 ZINC000423279976 429055762 /nfs/dbraw/zinc/05/57/62/429055762.db2.gz TWCQUQGWOARXJU-IAOVAPTHSA-N 2 0 310.869 2.875 20 0 DFADRP C[NH2+]C[C@@H](C)CN[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000423281629 429055948 /nfs/dbraw/zinc/05/59/48/429055948.db2.gz VVUIAZLDVQOQFQ-OWYHZJEWSA-N 2 0 301.478 2.627 20 0 DFADRP C[N@H+](Cc1ccccc1)C1CCC([NH2+][C@H](CN)C2CC2)CC1 ZINC000423285196 429057690 /nfs/dbraw/zinc/05/76/90/429057690.db2.gz XYVHDWDEMRVBJW-CTWPCTMYSA-N 2 0 301.478 2.757 20 0 DFADRP CCCC[C@H](C[NH3+])N[C@@H](C)c1cc(OC)c(OC)c(OC)c1 ZINC000423301220 429060886 /nfs/dbraw/zinc/06/08/86/429060886.db2.gz SWEVGWDZMLMQMK-GXTWGEPZSA-N 2 0 310.438 2.881 20 0 DFADRP c1ccc(C[N@@H+]2CC[C@H](N[C@H]3CCC[NH2+]C3)[C@@H]3CCC[C@H]32)cc1 ZINC000423303443 429061488 /nfs/dbraw/zinc/06/14/88/429061488.db2.gz LODFVJHFLRMHNH-LWYYNNOASA-N 3 0 313.489 2.771 20 0 DFADRP COc1cc([C@@H](C)[NH2+]C[C@@]2(C)CCC[NH2+]C2)cc(OC)c1OC ZINC000423321589 429062154 /nfs/dbraw/zinc/06/21/54/429062154.db2.gz GMVFMCLFNXTIRV-ACJLOTCBSA-N 2 0 322.449 2.753 20 0 DFADRP CCOC(=O)[C@H]1CC[C@H]([NH2+]CC2([NH3+])CCC2)c2ccccc21 ZINC000423316633 429062211 /nfs/dbraw/zinc/06/22/11/429062211.db2.gz BXTAVKBMEYRMRH-HOTGVXAUSA-N 2 0 302.418 2.639 20 0 DFADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)[C@H]2[NH2+]CCCC2(C)C)C1 ZINC000423318638 429062255 /nfs/dbraw/zinc/06/22/55/429062255.db2.gz CRKKXADVAJOQEW-IXDOHACOSA-N 2 0 323.525 2.639 20 0 DFADRP C[C@@H](Cc1ccc(F)cc1Br)[NH2+]C[C@@H]([NH3+])C1CC1 ZINC000423311548 429062400 /nfs/dbraw/zinc/06/24/00/429062400.db2.gz BYPNQQKDWJNTJA-LKFCYVNXSA-N 2 0 315.230 2.846 20 0 DFADRP C[C@H]([NH2+]C[C@@]1(C)CCC[NH2+]C1)c1cccc(N2CCOCC2)c1 ZINC000423320014 429062700 /nfs/dbraw/zinc/06/27/00/429062700.db2.gz DXWGLESLCBITJG-LPHOPBHVSA-N 2 0 317.477 2.564 20 0 DFADRP C[C@H]1CCCC[N@@H+]1CCNC(=O)C(C)(C)[C@@H]([NH3+])c1ccccc1 ZINC000423318588 429062856 /nfs/dbraw/zinc/06/28/56/429062856.db2.gz CNUQTLQNVXWLAG-RDJZCZTQSA-N 2 0 317.477 2.703 20 0 DFADRP C[C@@H]([NH3+])c1ccc(C(=O)N[C@@H](CCC[NH3+])c2ccccc2)cc1 ZINC000423962619 429064926 /nfs/dbraw/zinc/06/49/26/429064926.db2.gz FHGSTRHYRCXLET-KDOFPFPSSA-N 2 0 311.429 2.916 20 0 DFADRP C[C@@H]([NH2+]C[C@]1(C)CCC[NH2+]C1)c1ccc(OCC[NH+](C)C)cc1 ZINC000423326425 429065060 /nfs/dbraw/zinc/06/50/60/429065060.db2.gz KMTGYDMHCKIJIV-VQIMIIECSA-N 3 0 319.493 2.667 20 0 DFADRP Clc1cc2c(c(Cl)c1)[C@@H](NC[C@H]1C[NH2+]CCCO1)CC2 ZINC000423484809 429097112 /nfs/dbraw/zinc/09/71/12/429097112.db2.gz AHWQMCPBRMQYMZ-OCCSQVGLSA-N 2 0 315.244 2.949 20 0 DFADRP C[C@H]([NH3+])c1ccc(C(=O)NC[C@H](C)[N@@H+]2CCCC[C@H]2C)cc1 ZINC000423335067 429068370 /nfs/dbraw/zinc/06/83/70/429068370.db2.gz TXRUFKSOQUDGII-ILXRZTDVSA-N 2 0 303.450 2.699 20 0 DFADRP [NH3+]C1(CN[C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)CCC1 ZINC000423337421 429068404 /nfs/dbraw/zinc/06/84/04/429068404.db2.gz VNZXTSQCRMOQMB-IPMKNSEASA-N 2 0 313.489 2.758 20 0 DFADRP [NH3+]C1(CN[C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)CCC1 ZINC000423337419 429068457 /nfs/dbraw/zinc/06/84/57/429068457.db2.gz VNZXTSQCRMOQMB-GBESFXJTSA-N 2 0 313.489 2.758 20 0 DFADRP CC(C)[C@@H](C(=O)NCc1ccccc1C[N@H+](C)C(C)C)[C@@H](C)[NH3+] ZINC000423337671 429068475 /nfs/dbraw/zinc/06/84/75/429068475.db2.gz RGUAQQZCGIKAMO-CRAIPNDOSA-N 2 0 319.493 2.762 20 0 DFADRP CCO[C@@H]1C[C@H]([NH2+]C[C@@]2(C)CCC[NH2+]C2)[C@H]1Oc1ccccc1 ZINC000423337505 429068746 /nfs/dbraw/zinc/06/87/46/429068746.db2.gz KFMHSIIBKMFSNI-MANSERQUSA-N 2 0 318.461 2.591 20 0 DFADRP CN1CC[C@H]([NH2+]CCC[C@@H]2CCC[NH2+]2)C[C@H]1c1ccccc1 ZINC000423485871 429097127 /nfs/dbraw/zinc/09/71/27/429097127.db2.gz RZBWLGRFPVWTLJ-FHWLQOOXSA-N 3 0 301.478 2.944 20 0 DFADRP C[C@H](CNC(=O)[C@@H]([NH3+])CC1CCCCC1)[N@@H+]1CCC[C@@H](C)C1 ZINC000423343727 429069226 /nfs/dbraw/zinc/06/92/26/429069226.db2.gz XDKJXSABGZSVPN-INMHGKMJSA-N 2 0 309.498 2.521 20 0 DFADRP CC(C)[C@H](C(=O)N1CCC[N@H+](CC2CCCCC2)CC1)[C@@H](C)[NH3+] ZINC000423341373 429069262 /nfs/dbraw/zinc/06/92/62/429069262.db2.gz CKHWZVZRWHKDDN-AEFFLSMTSA-N 2 0 323.525 2.720 20 0 DFADRP C[C@@H]1CCC[N@H+](Cc2ccc(NC(=O)[C@H]([NH3+])C3CCC3)cc2)C1 ZINC000423341360 429069355 /nfs/dbraw/zinc/06/93/55/429069355.db2.gz UFSFLZBROHOUDQ-RDTXWAMCSA-N 2 0 315.461 2.984 20 0 DFADRP CCC[NH+]1CCC(CNC(=O)c2ccc([C@H](C)[NH3+])cc2)CC1 ZINC000423354593 429072518 /nfs/dbraw/zinc/07/25/18/429072518.db2.gz NPLJSFUTIXXJLI-AWEZNQCLSA-N 2 0 303.450 2.558 20 0 DFADRP CC(C)[C@H]([NH2+][C@H]1CC[NH2+]C[C@@H]1C)c1ccc2[nH]c(=O)oc2c1 ZINC000423361631 429072979 /nfs/dbraw/zinc/07/29/79/429072979.db2.gz AKCIEMOIJVTGMI-RBOXIYTFSA-N 2 0 303.406 2.818 20 0 DFADRP C[NH+](C)Cc1cccc(C(=O)N2CC[NH2+]C[C@H]2c2ccccc2)c1 ZINC000423991218 429073049 /nfs/dbraw/zinc/07/30/49/429073049.db2.gz DNJIPHZOUCQYHJ-IBGZPJMESA-N 2 0 323.440 2.535 20 0 DFADRP C[N@@H+](Cc1ccc(OC[C@H]2CCCO2)cc1)C[C@H]1CC[NH+](C)C1 ZINC000434183431 429076436 /nfs/dbraw/zinc/07/64/36/429076436.db2.gz NHKLKGBBSGAJMY-PKOBYXMFSA-N 2 0 318.461 2.628 20 0 DFADRP C[C@@H]1C[NH2+]CC[C@H]1[NH2+][C@@H]1CCc2cccc(Br)c2C1 ZINC000423382130 429077701 /nfs/dbraw/zinc/07/77/01/429077701.db2.gz DGHKTKYIETUFPB-AXAPSJFSSA-N 2 0 323.278 2.894 20 0 DFADRP C[C@@H]([NH2+]C[C@H](N1CC[NH2+]CC1)C(F)(F)F)C1CCCCCC1 ZINC000423388480 429078997 /nfs/dbraw/zinc/07/89/97/429078997.db2.gz MUBNBYKENRTBCM-HIFRSBDPSA-N 2 0 321.431 2.771 20 0 DFADRP C[C@@H]1C[NH2+]CC[C@@H]1[NH2+][C@@H]1CCCOc2cc3c(cc21)CCC3 ZINC000423385739 429079425 /nfs/dbraw/zinc/07/94/25/429079425.db2.gz GYZCOBTVPUXXMB-JEBQAFNWSA-N 2 0 300.446 2.977 20 0 DFADRP COc1cc(C)c(C[C@H](C)[NH2+][C@@H]2CC[NH2+]C[C@H]2C)cc1OC ZINC000423407427 429082384 /nfs/dbraw/zinc/08/23/84/429082384.db2.gz VTSKGGZUOKVCIZ-IJEWVQPXSA-N 2 0 306.450 2.531 20 0 DFADRP COCC1(C[NH2+][C@H]2CCSc3ccc(F)cc32)CC[NH2+]CC1 ZINC000423401924 429082440 /nfs/dbraw/zinc/08/24/40/429082440.db2.gz WMJAMBSBQLJTTI-HNNXBMFYSA-N 2 0 324.465 2.968 20 0 DFADRP COCC1(C[NH2+]C2CCC(OC3CCCC3)CC2)CC[NH2+]CC1 ZINC000423413760 429083158 /nfs/dbraw/zinc/08/31/58/429083158.db2.gz ZXZCFYLZMHCDIC-UHFFFAOYSA-N 2 0 324.509 2.863 20 0 DFADRP Cc1ccc([C@H](Cc2ccccc2)[NH2+]C[C@@H]2C[NH2+]C[C@H]2O)cc1C ZINC000423411565 429083360 /nfs/dbraw/zinc/08/33/60/429083360.db2.gz UVNILNVTYPLQAL-PCCBWWKXSA-N 2 0 324.468 2.757 20 0 DFADRP CC[C@H]([NH2+]CC1(COC)CC[NH2+]CC1)c1cccc(OC)c1 ZINC000423410534 429083421 /nfs/dbraw/zinc/08/34/21/429083421.db2.gz RZSQULKCGQTGKU-KRWDZBQOSA-N 2 0 306.450 2.752 20 0 DFADRP C[C@H]([NH2+]C[C@H]1C[NH2+]C[C@H]1O)c1ccc(-c2ccc(F)cc2)s1 ZINC000423412743 429083994 /nfs/dbraw/zinc/08/39/94/429083994.db2.gz XJCHCPYUTOCWCL-NJZAAPMLSA-N 2 0 320.433 2.785 20 0 DFADRP C[C@@H]([NH3+])c1ccc(C(=O)N2CCC[C@@H]([NH+]3CCCC3)CC2)cc1 ZINC000423415877 429084819 /nfs/dbraw/zinc/08/48/19/429084819.db2.gz BMPGALBTADIMDA-CRAIPNDOSA-N 2 0 315.461 2.797 20 0 DFADRP C[C@@H]1C[C@H](N(C)C(=O)C(C)(C)[C@H]([NH3+])c2ccccc2)CC[N@@H+]1C ZINC000423424634 429085688 /nfs/dbraw/zinc/08/56/88/429085688.db2.gz NGURVHAGXQIFHM-DJIMGWMZSA-N 2 0 317.477 2.654 20 0 DFADRP COC[C@H]([NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1)c1ccc(F)c(F)c1 ZINC000423428994 429087282 /nfs/dbraw/zinc/08/72/82/429087282.db2.gz HAMMENDBZJIRAL-XKQJLSEDSA-N 2 0 310.388 2.630 20 0 DFADRP C[C@H]([NH3+])c1ccc(C(=O)N2CC[C@H](C[N@H+](C)CC3CC3)C2)cc1 ZINC000423434555 429087577 /nfs/dbraw/zinc/08/75/77/429087577.db2.gz ODNAUPVQPYXCMJ-GOEBONIOSA-N 2 0 315.461 2.510 20 0 DFADRP CC(C)[C@@H](C(=O)NC1CC[NH+](C2CCCCC2)CC1)[C@H](C)[NH3+] ZINC000423431975 429087589 /nfs/dbraw/zinc/08/75/89/429087589.db2.gz IZFZOVRXPKLBEZ-WMLDXEAASA-N 2 0 309.498 2.519 20 0 DFADRP C[C@@H]([NH2+]CC1CC[NH+](CC(=O)NC(C)(C)C)CC1)[C@@H]1CC1(C)C ZINC000487260706 429146027 /nfs/dbraw/zinc/14/60/27/429146027.db2.gz AEWBCVJRJXMICE-ZBFHGGJFSA-N 2 0 323.525 2.637 20 0 DFADRP CCc1ccccc1NC(=O)CN(CC)[C@@H]1CCC[NH2+]CC1 ZINC000435612353 429151901 /nfs/dbraw/zinc/15/19/01/429151901.db2.gz FXIIURJBDAFFSQ-MRXNPFEDSA-N 2 0 303.450 2.652 20 0 DFADRP CCc1cccc(C)c1NC(=O)CN(CC)[C@@H]1CCC[NH2+]CC1 ZINC000435613671 429152079 /nfs/dbraw/zinc/15/20/79/429152079.db2.gz KESIBURFJYKAOY-QGZVFWFLSA-N 2 0 317.477 2.960 20 0 DFADRP Cc1noc(C)c1CN(Cc1ccccn1)[C@H]1CCC[NH2+]CC1 ZINC000435615106 429153929 /nfs/dbraw/zinc/15/39/29/429153929.db2.gz GRNMYCXPAJBSLV-KRWDZBQOSA-N 2 0 314.433 2.831 20 0 DFADRP CC[N@H+](CCC(=O)Nc1cccc(F)c1C)[C@@H]1CCC[NH2+]CC1 ZINC000435626833 429155299 /nfs/dbraw/zinc/15/52/99/429155299.db2.gz LOIBDZNWGQONMH-OAHLLOKOSA-N 2 0 321.440 2.927 20 0 DFADRP C[C@@H]1C[C@H](NC(=O)CC[C@H]([NH3+])CC2CCCCC2)CC[N@@H+]1C ZINC000424139052 429098426 /nfs/dbraw/zinc/09/84/26/429098426.db2.gz DVAPAQPXHNYHTQ-HYVNUMGLSA-N 2 0 309.498 2.663 20 0 DFADRP C[C@H]([NH2+][C@@H]1CC[C@H](C[NH3+])C1)c1cccc(N2CCCC2=O)c1 ZINC000423497428 429098429 /nfs/dbraw/zinc/09/84/29/429098429.db2.gz YTVTZEOKPFUUMQ-OFQRWUPVSA-N 2 0 301.434 2.591 20 0 DFADRP C[C@H]([NH2+][C@@H](CN)C1CCCC1)c1cccc(OCC[NH+](C)C)c1 ZINC000423498008 429098591 /nfs/dbraw/zinc/09/85/91/429098591.db2.gz AVXBAGJOBPCBOA-KXBFYZLASA-N 2 0 319.493 2.795 20 0 DFADRP Clc1ccc([C@@H]2CC[C@H]([NH2+]C[C@H]3C[NH2+]CCCO3)C2)cc1 ZINC000423494981 429099106 /nfs/dbraw/zinc/09/91/06/429099106.db2.gz TULJFMICBMHIKL-HYVNUMGLSA-N 2 0 308.853 2.944 20 0 DFADRP c1ccc(C[N@@H+](CCc2cccnc2)[C@H]2CCC[NH2+]CC2)nc1 ZINC000435628323 429156340 /nfs/dbraw/zinc/15/63/40/429156340.db2.gz QJHIYQMWEYXVHQ-IBGZPJMESA-N 2 0 310.445 2.663 20 0 DFADRP C[C@H]([NH2+][C@@H](CN)C1CCCC1)c1ccc(OCC[NH+](C)C)cc1 ZINC000423505803 429101014 /nfs/dbraw/zinc/10/10/14/429101014.db2.gz HISVHPZQUXAOHP-KXBFYZLASA-N 2 0 319.493 2.795 20 0 DFADRP COc1ccc([C@@H](C)[NH2+]C2CCC([NH+]3CCNCC3)CC2)cc1 ZINC000423499464 429101308 /nfs/dbraw/zinc/10/13/08/429101308.db2.gz AYVUCJXCTUGSGP-FAEJEUNOSA-N 2 0 317.477 2.562 20 0 DFADRP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+][C@H]2CC[C@@H](C[NH3+])C2)CC1 ZINC000423503273 429101657 /nfs/dbraw/zinc/10/16/57/429101657.db2.gz KIKMGCKFMKNSBU-POAQFYNOSA-N 3 0 315.505 2.799 20 0 DFADRP CCC[C@@H]1C[NH2+]CCN1C(=O)CC[C@@H]([NH3+])CC1CCCCC1 ZINC000424158611 429102616 /nfs/dbraw/zinc/10/26/16/429102616.db2.gz UBHOFAQCAXWNIY-IAGOWNOFSA-N 2 0 309.498 2.665 20 0 DFADRP C[N@@H+]1CC[C@@H]2CCN(C(=O)CC[C@@H]([NH3+])CC3CCCCC3)[C@@H]2C1 ZINC000424175345 429104256 /nfs/dbraw/zinc/10/42/56/429104256.db2.gz PRPFQPYAWFDBLO-KZNAEPCWSA-N 2 0 321.509 2.617 20 0 DFADRP C[N@@H+]1CC[C@@H]2CCN(C(=O)CC[C@H]([NH3+])CC3CCCCC3)[C@H]2C1 ZINC000424175346 429105467 /nfs/dbraw/zinc/10/54/67/429105467.db2.gz PRPFQPYAWFDBLO-SQNIBIBYSA-N 2 0 321.509 2.617 20 0 DFADRP FC(F)C1CCC([NH2+]C2CCC([NH+]3CCNCC3)CC2)CC1 ZINC000423515290 429106108 /nfs/dbraw/zinc/10/61/08/429106108.db2.gz VAOYBXOGHFWZJW-UHFFFAOYSA-N 2 0 315.452 2.616 20 0 DFADRP c1cc2c(s1)CCC[C@H]2[NH2+]C1CCC([NH+]2CCNCC2)CC1 ZINC000423520206 429106738 /nfs/dbraw/zinc/10/67/38/429106738.db2.gz QZZQUUDRNGIYER-VMBOVVBDSA-N 2 0 319.518 2.932 20 0 DFADRP CC[C@@H]([NH2+]C1CCC([NH+]2CCNCC2)CC1)c1ccccc1 ZINC000423525799 429108167 /nfs/dbraw/zinc/10/81/67/429108167.db2.gz YQDNJCXOWMCHDE-CTWPCTMYSA-N 2 0 301.478 2.944 20 0 DFADRP C[NH+](C)C[C@@H]1CCCN1C(=O)CC[C@H]([NH3+])CC1CCCCC1 ZINC000424197655 429108588 /nfs/dbraw/zinc/10/85/88/429108588.db2.gz WPNBTQVYCAYDHQ-IRXDYDNUSA-N 2 0 309.498 2.617 20 0 DFADRP C[C@@H]([NH2+]C1CCC(N2CC[NH2+]CC2)CC1)c1cccc(F)c1F ZINC000423522306 429108689 /nfs/dbraw/zinc/10/86/89/429108689.db2.gz UPMQQEZWWBCVDM-WLYUNCDWSA-N 2 0 323.431 2.832 20 0 DFADRP COc1cc(NC(C)=O)ccc1[C@@H](C)[NH2+]CCC1=CC[NH2+]CC1 ZINC000423534772 429110326 /nfs/dbraw/zinc/11/03/26/429110326.db2.gz AWHXWKFJNXGPTH-CYBMUJFWSA-N 2 0 317.433 2.614 20 0 DFADRP C[C@@H]1C[C@H](C)N(C(=O)CC[C@@H]([NH3+])CC2CCCCC2)C[C@@H]1C[NH3+] ZINC000424201804 429110960 /nfs/dbraw/zinc/11/09/60/429110960.db2.gz OWJFTIQPJSGRMA-MXSMSXNCSA-N 2 0 323.525 2.896 20 0 DFADRP CCC(CC)[C@@H](C[NH2+]C1CC(CC(=O)OC)C1)[NH+]1CCCC1 ZINC000424266458 429116032 /nfs/dbraw/zinc/11/60/32/429116032.db2.gz LBCFMMSMIYMPAD-BDVYOWHSSA-N 2 0 310.482 2.818 20 0 DFADRP CN(C[C@@H]1CCn2ccnc2C1)c1cc(C(F)(F)F)ccn1 ZINC000376468428 429117462 /nfs/dbraw/zinc/11/74/62/429117462.db2.gz UVJZZFTUISZPPI-LLVKDONJSA-N 2 0 310.323 2.996 20 0 DFADRP CC[N@@H+]1CC[C@H](N(C)C[C@@H](C[NH3+])c2ccc(F)cc2)C[C@H]1C ZINC000424275360 429117444 /nfs/dbraw/zinc/11/74/44/429117444.db2.gz AUOJYSTYIKPAGT-KYJSFNMBSA-N 2 0 307.457 2.673 20 0 DFADRP C[C@H]1CC2(C[N@@H+]1Cc1cncc(Br)c1)CC[NH2+]CC2 ZINC000424286699 429120219 /nfs/dbraw/zinc/12/02/19/429120219.db2.gz HWHVVUKADOABFQ-LBPRGKRZSA-N 2 0 324.266 2.808 20 0 DFADRP CCc1ccc(CC[NH+]2CCC(n3ncc4c3C[NH2+]C4)CC2)cc1 ZINC000424294451 429121438 /nfs/dbraw/zinc/12/14/38/429121438.db2.gz QKJXNCIVBKYDRY-UHFFFAOYSA-N 2 0 324.472 2.928 20 0 DFADRP C[C@@H]1CC2(C[N@@H+]1CCc1ccc3c(c1)CCO3)CC[NH2+]CC2 ZINC000424291229 429121599 /nfs/dbraw/zinc/12/15/99/429121599.db2.gz NGUOKKUWUCOCQE-OAHLLOKOSA-N 2 0 300.446 2.628 20 0 DFADRP C[C@@H](CN1CC[NH+](C)CC1)[NH2+][C@@H](C1CCC1)C1CCCCC1 ZINC000424327121 429126187 /nfs/dbraw/zinc/12/61/87/429126187.db2.gz YPMODJOGGSBSCT-QFBILLFUSA-N 2 0 307.526 2.961 20 0 DFADRP CCOC(=O)CC(C)(C)CC[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000376515810 429126430 /nfs/dbraw/zinc/12/64/30/429126430.db2.gz VAZSEXKSHDRGKH-INIZCTEOSA-N 2 0 310.482 2.774 20 0 DFADRP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@H](C1CCC1)C1CCCCC1 ZINC000424327116 429126583 /nfs/dbraw/zinc/12/65/83/429126583.db2.gz YPMODJOGGSBSCT-APWZRJJASA-N 2 0 307.526 2.961 20 0 DFADRP [NH3+][C@@H]1CCCC[C@H]1[NH2+]CCOc1ccc(C(F)(F)F)cc1 ZINC000424333693 429128469 /nfs/dbraw/zinc/12/84/69/429128469.db2.gz MKJZAAFEQSUKNQ-ZIAGYGMSSA-N 2 0 302.340 2.944 20 0 DFADRP [NH3+][C@@H]1CCCC[C@H]1N[C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]12 ZINC000424370577 429130907 /nfs/dbraw/zinc/13/09/07/429130907.db2.gz DRFPCZVZFDQXRZ-LASHMREHSA-N 2 0 313.489 2.757 20 0 DFADRP C[C@@H]1C[C@H](C[N@@H+]2C[C@@H]3CCN(Cc4ccccc4)[C@@H]3C2)CC[NH2+]1 ZINC000424363325 429131680 /nfs/dbraw/zinc/13/16/80/429131680.db2.gz BQKUPJSAGDMYNB-RSPOEFSDSA-N 2 0 313.489 2.581 20 0 DFADRP C[C@H]1C[C@H](C[N@@H+]2C[C@@H]3CCN(Cc4ccccc4)[C@@H]3C2)CC[NH2+]1 ZINC000424363324 429132379 /nfs/dbraw/zinc/13/23/79/429132379.db2.gz BQKUPJSAGDMYNB-OJAHFUOMSA-N 2 0 313.489 2.581 20 0 DFADRP [NH3+][C@@H]1CCCC[C@H]1N[C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000424370575 429132582 /nfs/dbraw/zinc/13/25/82/429132582.db2.gz DRFPCZVZFDQXRZ-CENDIDJXSA-N 2 0 313.489 2.757 20 0 DFADRP C[C@H]1CC2(C[N@@H+]1Cc1ccnn1-c1ccccc1)CC[NH2+]CC2 ZINC000424388032 429134095 /nfs/dbraw/zinc/13/40/95/429134095.db2.gz YZABUWZLXCVNSL-INIZCTEOSA-N 2 0 310.445 2.836 20 0 DFADRP CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)CC[C@@H]2CCC[NH2+]2)C1 ZINC000494642832 429134181 /nfs/dbraw/zinc/13/41/81/429134181.db2.gz KYSXHGFRFUOMES-HOTGVXAUSA-N 2 0 309.498 2.535 20 0 DFADRP C[NH2+]C[C@H]1CCC[N@H+](C[C@@H](C)Cc2ccc(OC)c(F)c2)C1 ZINC000435369886 429134245 /nfs/dbraw/zinc/13/42/45/429134245.db2.gz GKAYJBGRKCZYNY-GOEBONIOSA-N 2 0 308.441 2.944 20 0 DFADRP CC[N@H+](Cc1ccc(-n2cncn2)c(C)c1)[C@@H]1CCC[NH2+]CC1 ZINC000435381877 429135851 /nfs/dbraw/zinc/13/58/51/429135851.db2.gz WJDIHKQCQYNKCB-QGZVFWFLSA-N 2 0 313.449 2.540 20 0 DFADRP COc1ccc(C[C@H](C)C[N@@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)cc1F ZINC000435392093 429138279 /nfs/dbraw/zinc/13/82/79/429138279.db2.gz ZVAMJIDWNBEYKL-NZUILWFCSA-N 2 0 306.425 2.682 20 0 DFADRP Cc1cc(C[NH3+])cc(NC(=O)N[C@H](C)C[NH+]2CCCCCC2)c1 ZINC000424427006 429139155 /nfs/dbraw/zinc/13/91/55/429139155.db2.gz NQRAQSCAZLEHMI-OAHLLOKOSA-N 2 0 318.465 2.840 20 0 DFADRP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1NC(=O)CC[C@H]1CCC[NH2+]1 ZINC000494671197 429140096 /nfs/dbraw/zinc/14/00/96/429140096.db2.gz BZLYYFIOFPELMF-BBWFWOEESA-N 2 0 309.498 2.535 20 0 DFADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@H](C)[C@@H](c1ccccc1)[NH+](C)C ZINC000487195443 429140556 /nfs/dbraw/zinc/14/05/56/429140556.db2.gz CYSJYPVAGXJRNG-NXHRZFHOSA-N 2 0 317.477 2.668 20 0 DFADRP Cc1cc(C[NH3+])cc(NC(=O)NC[C@H](C)[N@@H+]2CCC[C@@H](C)C2)c1 ZINC000424446937 429141795 /nfs/dbraw/zinc/14/17/95/429141795.db2.gz SZSHJASRFOCSFT-HIFRSBDPSA-N 2 0 318.465 2.696 20 0 DFADRP C[N@H+](CCCC1CCOCC1)C1CC[NH+](C2CCOCC2)CC1 ZINC000364030729 429161383 /nfs/dbraw/zinc/16/13/83/429161383.db2.gz RCQHZFBTTGTMHV-UHFFFAOYSA-N 2 0 324.509 2.768 20 0 DFADRP CC[N@@H+]1CC[C@H](C[NH2+]C2CCC(O)(c3ccccc3)CC2)C1 ZINC000364075449 429167066 /nfs/dbraw/zinc/16/70/66/429167066.db2.gz RVVAYOMAPHJEHY-IPJUCJBFSA-N 2 0 302.462 2.748 20 0 DFADRP c1ccc(C[N@@H+]2CCC3(C2)CC[NH+](Cc2ccccn2)CC3)nc1 ZINC000364080947 429167597 /nfs/dbraw/zinc/16/75/97/429167597.db2.gz JNJHCEWTVMHSKB-UHFFFAOYSA-N 2 0 322.456 2.965 20 0 DFADRP C[C@@H]1C[C@H]([NH2+]Cc2ccccc2C[N@@H+]2CCC[C@H]2CO)[C@@H]1C ZINC000494994649 429170325 /nfs/dbraw/zinc/17/03/25/429170325.db2.gz ILZXPFHFEPKWTQ-LTDCPUDJSA-N 2 0 302.462 2.777 20 0 DFADRP CC(C)[C@H](C(=O)NC1CC[NH+](CC2CCCCC2)CC1)[NH+](C)C ZINC000364188683 429173562 /nfs/dbraw/zinc/17/35/62/429173562.db2.gz GBCZPTRFLUULGZ-GOSISDBHSA-N 2 0 323.525 2.734 20 0 DFADRP COc1ccsc1[C@H](C)[NH2+]C[C@H]1CCC[C@H]1N1CCOCC1 ZINC000364304121 429177559 /nfs/dbraw/zinc/17/75/59/429177559.db2.gz BXVKKSWWGOZWOA-RRFJBIMHSA-N 2 0 324.490 2.908 20 0 DFADRP COc1ccc(C[NH2+]CCCC[N@H+]2C[C@H](C)C[C@H](C)C2)cn1 ZINC000436272618 429193953 /nfs/dbraw/zinc/19/39/53/429193953.db2.gz HLGUSYPDRGYWCK-IYBDPMFKSA-N 2 0 305.466 2.938 20 0 DFADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1[NH2+]C1CC(O)(Cc2cccc(F)c2)C1 ZINC000364477540 429211089 /nfs/dbraw/zinc/21/10/89/429211089.db2.gz ANJTVNHDKHGORZ-BLGPTSCISA-N 2 0 320.452 2.580 20 0 DFADRP Cc1cc(N2CCC([N@@H+](C)C[C@@H]3CC[C@H](C)O3)CC2)nc(C)n1 ZINC000364488298 429212247 /nfs/dbraw/zinc/21/22/47/429212247.db2.gz AXZVNYYOSPULBV-YOEHRIQHSA-N 2 0 318.465 2.562 20 0 DFADRP C[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+]CC2([S@@](C)=O)CC2)CC1 ZINC000442819522 429237510 /nfs/dbraw/zinc/23/75/10/429237510.db2.gz IIVDBSVTORWQGA-IUSZMWJPSA-N 2 0 312.523 2.530 20 0 DFADRP [NH3+]CC[C@H]1CCC[N@H+](Cc2ccc(OC(F)F)c(F)c2)C1 ZINC000442929549 429240402 /nfs/dbraw/zinc/24/04/02/429240402.db2.gz ROKWSZVKZYYWIA-LLVKDONJSA-N 2 0 302.340 2.988 20 0 DFADRP [NH3+]CC[C@@H]1CCC[N@H+](Cc2ccc(OC(F)F)c(F)c2)C1 ZINC000442929550 429241191 /nfs/dbraw/zinc/24/11/91/429241191.db2.gz ROKWSZVKZYYWIA-NSHDSACASA-N 2 0 302.340 2.988 20 0 DFADRP [NH3+]CC[C@H]1CCC[N@H+](Cc2c(F)cccc2N2CCCC2)C1 ZINC000442925377 429241203 /nfs/dbraw/zinc/24/12/03/429241203.db2.gz VERTWVJEMHJDPB-OAHLLOKOSA-N 2 0 305.441 2.987 20 0 DFADRP CS[C@H]1CC[C@H]1[NH2+]Cc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC000425331096 429265536 /nfs/dbraw/zinc/26/55/36/429265536.db2.gz AJIVLXXRWBAZCW-MSOLQXFVSA-N 2 0 320.502 2.627 20 0 DFADRP C[C@@]1(CNc2ncnc3[nH]ccc32)CCC[N@@H+]1Cc1ccccc1 ZINC000489949377 429268754 /nfs/dbraw/zinc/26/87/54/429268754.db2.gz UGYDCBDLEJPQBK-IBGZPJMESA-N 2 0 321.428 3.425 20 0 DFADRP CC[NH+]1CCN(c2ccccc2C[NH+]2CC(CC(F)F)C2)CC1 ZINC000425366986 429279127 /nfs/dbraw/zinc/27/91/27/429279127.db2.gz REPBHHCMDFKXBO-UHFFFAOYSA-N 2 0 323.431 2.916 20 0 DFADRP Cc1nccn1CC[N@@H+]1CC[C@@H](O)[C@H]1c1ccc(Cl)cc1 ZINC000425554406 429321571 /nfs/dbraw/zinc/32/15/71/429321571.db2.gz WDEZYJIRBAZPAH-HZPDHXFCSA-N 2 0 305.809 2.653 20 0 DFADRP COCC[N@H+](C)CCC[NH2+]Cc1cc2ccccc2c(OC)c1 ZINC000449080051 429327156 /nfs/dbraw/zinc/32/71/56/429327156.db2.gz SFXNLTJEJAZTTE-UHFFFAOYSA-N 2 0 316.445 2.906 20 0 DFADRP C[C@@H](Cc1ccccc1)[NH+]1CCC([NH2+]C2CCOCC2)CC1 ZINC000449086017 429327475 /nfs/dbraw/zinc/32/74/75/429327475.db2.gz BEFDVSSBCCWENU-INIZCTEOSA-N 2 0 302.462 2.851 20 0 DFADRP C[NH2+][C@H](CC(C)(C)C)C(=O)NCC(C)(C)[N@@H+]1CCC[C@@H](C)C1 ZINC000449098595 429330562 /nfs/dbraw/zinc/33/05/62/429330562.db2.gz KAQQUDJFOXLEJS-HUUCEWRRSA-N 2 0 311.514 2.637 20 0 DFADRP C[NH2+][C@H](CC(C)(C)C)C(=O)NC[C@@H](c1ccc(C)cc1)[NH+](C)C ZINC000449105041 429333758 /nfs/dbraw/zinc/33/37/58/429333758.db2.gz BVLHHYXXUHUVTM-SJORKVTESA-N 2 0 319.493 2.738 20 0 DFADRP CNC(=O)CCC[NH2+]C1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC000449101492 429333808 /nfs/dbraw/zinc/33/38/08/429333808.db2.gz FLIUIJFBBVMMSA-UHFFFAOYSA-N 2 0 311.514 2.781 20 0 DFADRP C[NH+]1CCC(N2CCC([NH2+][C@H]3CCCC34CCC4)CC2)CC1 ZINC000449108079 429334409 /nfs/dbraw/zinc/33/44/09/429334409.db2.gz PMISXMQLDDQGOG-SFHVURJKSA-N 2 0 305.510 2.857 20 0 DFADRP CC[C@@H]([NH2+]Cc1cccnc1N1CC[NH+](C)CC1)C1CCCC1 ZINC000449108253 429334598 /nfs/dbraw/zinc/33/45/98/429334598.db2.gz TTYOVOXZIGMEPK-GOSISDBHSA-N 2 0 316.493 2.892 20 0 DFADRP CO[C@@H](C[N@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1)C1CC1 ZINC000425425297 429293224 /nfs/dbraw/zinc/29/32/24/429293224.db2.gz YBOLOJINPACHBG-MJGOQNOKSA-N 2 0 302.462 2.865 20 0 DFADRP C[C@H](C[N@@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@@H](C)C1)c1ccccc1 ZINC000490632809 429298443 /nfs/dbraw/zinc/29/84/43/429298443.db2.gz UWMKUJYZYMFOGV-HBFSDRIKSA-N 2 0 315.505 2.748 20 0 DFADRP C[C@H]1C[C@@H](NC(=O)c2ccc(C[NH+]3CCCC3)cc2)c2nccn21 ZINC000456432838 429306143 /nfs/dbraw/zinc/30/61/43/429306143.db2.gz TWKRPUNKCVELIU-WMLDXEAASA-N 2 0 324.428 2.915 20 0 DFADRP OC[C@@H]1CCC[N@@H+]1CCCC[NH2+]Cc1ccc2c(c1)CCCC2 ZINC000490898544 429311805 /nfs/dbraw/zinc/31/18/05/429311805.db2.gz ICVDMVIJKGSRKW-FQEVSTJZSA-N 2 0 316.489 2.892 20 0 DFADRP COC1CCC([NH2+][C@H]2CCCN(c3cc(C)nc(C)n3)C2)CC1 ZINC000365393987 429311883 /nfs/dbraw/zinc/31/18/83/429311883.db2.gz QUBASQYIXUIAJV-CGZBRXJRSA-N 2 0 318.465 2.609 20 0 DFADRP COc1cc(F)cc(C[NH2+]CC2(SC)CC[NH+](C)CC2)c1 ZINC000449334509 429390940 /nfs/dbraw/zinc/39/09/40/429390940.db2.gz JTKOIVCHKZIJBZ-UHFFFAOYSA-N 2 0 312.454 2.751 20 0 DFADRP C[C@@H](Cc1ccccc1)[NH+]1CCC([NH2+][C@@H]2CCO[C@@H]2C)CC1 ZINC000449336284 429391259 /nfs/dbraw/zinc/39/12/59/429391259.db2.gz MPQPMENCLDXKDK-FRQCXROJSA-N 2 0 302.462 2.849 20 0 DFADRP C[C@@H]1C[N@@H+](CC2CC[NH+](C[C@@H]3CCSC3)CC2)C[C@H](C)O1 ZINC000365869931 429391346 /nfs/dbraw/zinc/39/13/46/429391346.db2.gz DDJIADLQMYUFAX-UXLLHSPISA-N 2 0 312.523 2.561 20 0 DFADRP CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)C[C@H]1CCCC[C@@H]1[NH3+] ZINC000449338245 429391624 /nfs/dbraw/zinc/39/16/24/429391624.db2.gz UOUCQIZCJAHWFX-ZACQAIPSSA-N 2 0 309.498 2.665 20 0 DFADRP c1ccc(C[N@H+]2C[C@@H]3CC[C@@H]([NH2+]CC4=CCOCC4)[C@H]3C2)cc1 ZINC000449402731 429406246 /nfs/dbraw/zinc/40/62/46/429406246.db2.gz NDBMAXUSWHFTHN-SLFFLAALSA-N 2 0 312.457 2.833 20 0 DFADRP CCC[NH+](CCC)CCCC(=O)N(C)[C@@H]1CC[N@@H+](C(C)C)C1 ZINC000457121307 429408020 /nfs/dbraw/zinc/40/80/20/429408020.db2.gz ODYVVJQSDZSSLM-QGZVFWFLSA-N 2 0 311.514 2.830 20 0 DFADRP Cc1noc(C)c1[C@H](C)C[NH2+]Cc1cc(C2CC[NH2+]CC2)no1 ZINC000425895404 429349358 /nfs/dbraw/zinc/34/93/58/429349358.db2.gz IJEQJJOZPWAQMU-LLVKDONJSA-N 2 0 318.421 2.640 20 0 DFADRP CCC[NH+](CCC)CCCC(=O)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000449202645 429356526 /nfs/dbraw/zinc/35/65/26/429356526.db2.gz KKBIDTLBUUZOBZ-MSOLQXFVSA-N 2 0 323.525 2.737 20 0 DFADRP CC1=C[C@H](C)C[C@H](C[N@@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@@H](C)C2)C1 ZINC000365660283 429358657 /nfs/dbraw/zinc/35/86/57/429358657.db2.gz NUIHUUIYQPEIPT-FRYIKTPZSA-N 2 0 319.537 2.937 20 0 DFADRP CCCCN1CCCC[C@@H]1C[NH2+]C1CCC(C(=O)OC)CC1 ZINC000426034650 429361545 /nfs/dbraw/zinc/36/15/45/429361545.db2.gz GCVIKOJTYFEVKB-OFLPRAFFSA-N 2 0 310.482 2.962 20 0 DFADRP C[C@H](C[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@@H]21)N1CCc2ccccc21 ZINC000513689413 429362033 /nfs/dbraw/zinc/36/20/33/429362033.db2.gz BVIZAKQYGVEEDM-DLVXIWMQSA-N 2 0 313.489 2.900 20 0 DFADRP C[NH+](C)CC1(C(=O)N2CCC[C@H]2C[NH+]2CCCC2)CCCCC1 ZINC000426117959 429366032 /nfs/dbraw/zinc/36/60/32/429366032.db2.gz XCDFYWRXRHCSCX-KRWDZBQOSA-N 2 0 321.509 2.585 20 0 DFADRP CN(CCC[N@H+](C)Cc1ccc2occc2c1)CC[NH+](C)C ZINC000514635061 429367097 /nfs/dbraw/zinc/36/70/97/429367097.db2.gz QVUQJKHXMJRVGC-UHFFFAOYSA-N 2 0 303.450 2.748 20 0 DFADRP C[C@H](CNCC(C)(C)C[N@H+](C)Cc1ccccc1)C[NH+](C)C ZINC000491588794 429376668 /nfs/dbraw/zinc/37/66/68/429376668.db2.gz LLXPYWZJDPEXLX-QGZVFWFLSA-N 2 0 305.510 2.932 20 0 DFADRP C[C@@H](C[NH2+]Cc1ccc(OC[C@@H]2CCCO2)cc1)C[NH+](C)C ZINC000491591755 429377628 /nfs/dbraw/zinc/37/76/28/429377628.db2.gz OABLCYSNWJBRTQ-YJBOKZPZSA-N 2 0 306.450 2.532 20 0 DFADRP C[NH+](C)CCOc1cnccc1C[NH2+][C@@H]1CCCC12CCC2 ZINC000449330596 429390145 /nfs/dbraw/zinc/39/01/45/429390145.db2.gz UZRNCBCBIBQJHB-QGZVFWFLSA-N 2 0 303.450 2.834 20 0 DFADRP C/C(=C\c1ccccc1)C[NH2+]CCCC[N@@H+]1CCC[C@@H]1CO ZINC000518981294 429441500 /nfs/dbraw/zinc/44/15/00/429441500.db2.gz SUBBQBSWMXKIEO-DQSGYLJSSA-N 2 0 302.462 2.916 20 0 DFADRP CC[C@H]([NH2+]C1CC([NH+]2CCCCC2)C1)C1(C(=O)OC)CCC1 ZINC000366431020 429451113 /nfs/dbraw/zinc/45/11/13/429451113.db2.gz JQWREPVUMIMOTO-GPANFISMSA-N 2 0 308.466 2.715 20 0 DFADRP C/C(=C/c1ccccc1)C[NH2+]C[C@H](C)CN1CC[NH+](C)CC1 ZINC000519225890 429451744 /nfs/dbraw/zinc/45/17/44/429451744.db2.gz QEGHKJYWXOOHON-FDWYHIAWSA-N 2 0 301.478 2.563 20 0 DFADRP Cc1ccc([C@@H]([NH2+]C[C@@H](O)C[NH+]2CCCC2)C2CCC2)cc1 ZINC000427617644 429460126 /nfs/dbraw/zinc/46/01/26/429460126.db2.gz JEHYEHYOBOJZKD-MOPGFXCFSA-N 2 0 302.462 2.883 20 0 DFADRP CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)CC[NH+](C)C2CCCCC2)C1 ZINC000519524733 429461538 /nfs/dbraw/zinc/46/15/38/429461538.db2.gz VGQHFTOSOFEBNF-QGZVFWFLSA-N 2 0 309.498 2.582 20 0 DFADRP CC(C)[NH+](CCNC(=O)NC(C)(C)CCC[NH+](C)C)C(C)C ZINC000457422935 429461945 /nfs/dbraw/zinc/46/19/45/429461945.db2.gz MSEDURXVVOVRAY-UHFFFAOYSA-N 2 0 314.518 2.525 20 0 DFADRP c1ccc(-c2ncc(C[NH+]3CCC([C@H]4CC[NH2+]C4)CC3)cn2)cc1 ZINC000519547804 429465488 /nfs/dbraw/zinc/46/54/88/429465488.db2.gz WMGUMGQQTFIAJH-IBGZPJMESA-N 2 0 322.456 2.965 20 0 DFADRP CC(C)[C@H](Cc1ccccc1)[NH2+]C[C@@H](O)C[NH+]1CCC(C)CC1 ZINC000427714262 429465550 /nfs/dbraw/zinc/46/55/50/429465550.db2.gz LFDXIOLRRGQYEO-UXHICEINSA-N 2 0 318.505 2.936 20 0 DFADRP CCOc1cc2[nH+]ccc(N(C)[C@@H]3CC[NH2+]C3)c2cc1OCC ZINC000518144323 429412232 /nfs/dbraw/zinc/41/22/32/429412232.db2.gz TXLPWEVSDHMYNK-CYBMUJFWSA-N 2 0 315.417 2.830 20 0 DFADRP Cn1nccc1[C@H]1CCC[C@@H]([NH2+]C2CC[NH+](CC3CC3)CC2)C1 ZINC000366070727 429413670 /nfs/dbraw/zinc/41/36/70/429413670.db2.gz ABRAQPWYAOXRIW-FUHWJXTLSA-N 2 0 316.493 2.910 20 0 DFADRP CC[N@@H+]1CC[C@@H](N(C)C(=O)C2(C[NH+](C)C)CCCCC2)[C@H](C)C1 ZINC000426786992 429416222 /nfs/dbraw/zinc/41/62/22/429416222.db2.gz ZWSCMBDMXAZXEM-IAGOWNOFSA-N 2 0 323.525 2.687 20 0 DFADRP CC[N@@H+]1CC[C@@H](N(C)C(=O)C2(C[NH+](C)C)CCCCC2)C[C@@H]1C ZINC000426789141 429417260 /nfs/dbraw/zinc/41/72/60/429417260.db2.gz SAEKNZULDDACOG-DLBZAZTESA-N 2 0 323.525 2.830 20 0 DFADRP CC[N@@H+]1CC[C@@H](N(C)C(=O)C2(C[NH+](C)C)CCCCC2)C[C@H]1C ZINC000426789142 429418094 /nfs/dbraw/zinc/41/80/94/429418094.db2.gz SAEKNZULDDACOG-IAGOWNOFSA-N 2 0 323.525 2.830 20 0 DFADRP CSc1ccc([C@H](C[NH2+][C@H]2CCC[C@@H]([NH3+])C2)N(C)C)cc1 ZINC000518397093 429421179 /nfs/dbraw/zinc/42/11/79/429421179.db2.gz OOABECQTIFVHJK-VYDXJSESSA-N 2 0 307.507 2.871 20 0 DFADRP C[N@H+](CCCCNC(=O)[C@@H]1CC[NH+](C2CCCCC2)C1)C1CC1 ZINC000457196876 429423875 /nfs/dbraw/zinc/42/38/75/429423875.db2.gz HWBQBQGONFILQO-MRXNPFEDSA-N 2 0 321.509 2.632 20 0 DFADRP CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H](CCC)[NH2+]C(C)C ZINC000491900258 429430359 /nfs/dbraw/zinc/43/03/59/429430359.db2.gz DMXMVYZOZCWSOK-IAGOWNOFSA-N 2 0 311.514 2.924 20 0 DFADRP C[C@H]([NH2+]Cc1cccc(NC(=O)C2CCC2)c1)[C@H]1CC[NH2+]C1 ZINC000518727314 429431567 /nfs/dbraw/zinc/43/15/67/429431567.db2.gz LUIZRKYQJLRDDW-BBRMVZONSA-N 2 0 301.434 2.513 20 0 DFADRP C[N@H+](Cc1ccccc1)CC(C)(C)CN1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000427119877 429434292 /nfs/dbraw/zinc/43/42/92/429434292.db2.gz NNCWDPKVUJYDOZ-MOPGFXCFSA-N 2 0 315.505 2.828 20 0 DFADRP CCO[C@@H]1CC[N@H+](Cc2cn(-c3cc[nH+]cc3)nc2C)C[C@H]1C ZINC000449503751 429437085 /nfs/dbraw/zinc/43/70/85/429437085.db2.gz PTYCQPCTXIIZGL-RDTXWAMCSA-N 2 0 314.433 2.823 20 0 DFADRP OC[C@]1(C[NH2+]C2CC[NH+](CC3CC3)CC2)C[C@@H]1c1ccccc1 ZINC000519733885 429483211 /nfs/dbraw/zinc/48/32/11/429483211.db2.gz MPDPZVURZVWQTF-WOJBJXKFSA-N 2 0 314.473 2.617 20 0 DFADRP C[C@H](CC(=O)Nc1ccc(F)cc1)[NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000519749591 429485626 /nfs/dbraw/zinc/48/56/26/429485626.db2.gz KLUZTUBKQSFWRI-OAUYIBNBSA-N 2 0 319.424 2.521 20 0 DFADRP CC1CCC(O)(C[NH2+]CC2CCN(c3cc[nH+]cc3)CC2)CC1 ZINC000519816873 429491545 /nfs/dbraw/zinc/49/15/45/429491545.db2.gz GPGAENZICMLCSQ-UHFFFAOYSA-N 2 0 317.477 2.829 20 0 DFADRP C[C@H]1C[N@H+](CCC[NH2+]C[C@H]2CCOc3ccccc32)CCCO1 ZINC000366777107 429513268 /nfs/dbraw/zinc/51/32/68/429513268.db2.gz ODBDXLPKGMKUFM-DLBZAZTESA-N 2 0 318.461 2.643 20 0 DFADRP CCC[N@H+](CC)Cc1ccc(C(=O)NC2CCC([NH3+])CC2)cc1 ZINC000428961628 429565883 /nfs/dbraw/zinc/56/58/83/429565883.db2.gz ADIMLWYUGDIIRR-UHFFFAOYSA-N 2 0 317.477 2.918 20 0 DFADRP C[NH+]1CCC2(CCC[N@H+](CC(=O)NC3CCCCCC3)C2)CC1 ZINC000366877523 429532125 /nfs/dbraw/zinc/53/21/25/429532125.db2.gz CGXLNBSHAFBGRO-UHFFFAOYSA-N 2 0 321.509 2.633 20 0 DFADRP C[C@H](C(=O)NCC1([NH3+])CCCCCC1)[N@H+](C)Cc1ccccc1 ZINC000428587355 429535683 /nfs/dbraw/zinc/53/56/83/429535683.db2.gz XOYXDORRLCYAMI-MRXNPFEDSA-N 2 0 317.477 2.675 20 0 DFADRP C[C@@H](NC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1)C(C)(C)C[NH+](C)C ZINC000449936620 429540642 /nfs/dbraw/zinc/54/06/42/429540642.db2.gz DSLCWMALTBQIFE-NVXWUHKLSA-N 2 0 323.525 2.876 20 0 DFADRP C[NH+]1CCC2(CCC[N@H+](Cc3cnn(C(C)(C)C)c3)C2)CC1 ZINC000366951023 429545912 /nfs/dbraw/zinc/54/59/12/429545912.db2.gz HYAVZPKVWZVOPJ-UHFFFAOYSA-N 2 0 304.482 2.946 20 0 DFADRP CC1CCC([NH+]2CCC(N(C)C(=O)[C@@H]3CCC[C@H]3[NH3+])CC2)CC1 ZINC000370768143 275929619 /nfs/dbraw/zinc/92/96/19/275929619.db2.gz YPDOZCFEJTUJBQ-XAWIXRBMSA-N 2 0 321.509 2.615 20 0 DFADRP CCOCC(C)(C)C[NH2+][C@@H]1CCN(Cc2ccccn2)C[C@@H]1C ZINC000367370019 429632698 /nfs/dbraw/zinc/63/26/98/429632698.db2.gz JWQJZXJAXNGGLU-FUHWJXTLSA-N 2 0 319.493 2.944 20 0 DFADRP CCC[NH+]1CCC(N(C)CC[N@H+](C)Cc2ccccc2)CC1 ZINC000450469344 429635558 /nfs/dbraw/zinc/63/55/58/429635558.db2.gz QYCLCVHHTOCUGE-UHFFFAOYSA-N 2 0 303.494 2.925 20 0 DFADRP c1cncc(-c2c[nH+]ccc2NC[C@@H]2CCCC[N@@H+]2C2CC2)c1 ZINC000367418156 429643375 /nfs/dbraw/zinc/64/33/75/429643375.db2.gz JUTQRWMYJLXKSH-KRWDZBQOSA-N 2 0 308.429 2.994 20 0 DFADRP CCC[C@@H](C(=O)NC1CC[NH+](Cc2cccs2)CC1)[NH+](C)C ZINC000367444543 429650004 /nfs/dbraw/zinc/65/00/04/429650004.db2.gz GIIYFDCTFFFSDH-INIZCTEOSA-N 2 0 323.506 2.559 20 0 DFADRP CCc1ccc2[nH+]ccc(N3CC[N@H+](C[C@@H](C)O)[C@H](C)C3)c2c1 ZINC000450314181 429598421 /nfs/dbraw/zinc/59/84/21/429598421.db2.gz TYBADJJRNUJTIP-HUUCEWRRSA-N 2 0 313.445 2.689 20 0 DFADRP Cc1cc(NC(=O)[C@H]2CCC[N@@H+]2C2CC2)ccc1C[NH+](C)C ZINC000458273303 429612138 /nfs/dbraw/zinc/61/21/38/429612138.db2.gz WPNXHVGGDUHQRF-QGZVFWFLSA-N 2 0 301.434 2.622 20 0 DFADRP C[N@@H+]1CC[C@]2(CCN(Cc3c[nH]nc3-c3ccsc3)C2)C1 ZINC000430137370 429655644 /nfs/dbraw/zinc/65/56/44/429655644.db2.gz VYMNRAUNQBMBEN-INIZCTEOSA-N 2 0 302.447 2.666 20 0 DFADRP CC(C)[NH+]1CCN([C@H]2CC[N@H+](C[C@H]3CCC[C@@H](C)C3)C2)CC1 ZINC000367494755 429659051 /nfs/dbraw/zinc/65/90/51/429659051.db2.gz HDRWUKCRXDFEJW-QYZOEREBSA-N 2 0 307.526 2.913 20 0 DFADRP C[N@@H+]1CC[C@H]([NH2+]Cc2cnn(-c3ccccc3)c2)[C@@H]2CCC[C@@H]21 ZINC000367517920 429664140 /nfs/dbraw/zinc/66/41/40/429664140.db2.gz FILBQPNWYKPMAG-FHWLQOOXSA-N 2 0 310.445 2.835 20 0 DFADRP CCCc1ccc([C@@H](C)[NH2+][C@H](C)CN2CC[NH+](C)CC2)cc1 ZINC000154986482 276055990 /nfs/dbraw/zinc/05/59/90/276055990.db2.gz YJAITUBZLZNRDB-IAGOWNOFSA-N 2 0 303.494 2.926 20 0 DFADRP C[C@H]1CCN(Cc2nnc(C3CC3)s2)C[C@H]1n1ccnc1 ZINC000450589366 429654483 /nfs/dbraw/zinc/65/44/83/429654483.db2.gz HCQBLCWRMMDYAU-WCQYABFASA-N 2 0 303.435 2.695 20 0 DFADRP CC[N@H+](C)Cc1cccc(CNC(=O)C[C@@H]2CCC[NH2+]CC2)c1 ZINC000364238385 276075536 /nfs/dbraw/zinc/07/55/36/276075536.db2.gz QRILHMNHFMBOEE-MRXNPFEDSA-N 2 0 317.477 2.534 20 0 DFADRP CC1(C)CC([NH2+][C@@H]2CCO[C@@H](C(F)(F)F)C2)CC(C)(C)[NH2+]1 ZINC000314766978 276100480 /nfs/dbraw/zinc/10/04/80/276100480.db2.gz JBVUPNVXHJCDIM-ZYHUDNBSSA-N 2 0 308.388 2.995 20 0 DFADRP C[C@H](O)CC[NH+]1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000450650639 429670309 /nfs/dbraw/zinc/67/03/09/429670309.db2.gz RKYUFEAYWGQDHU-KRWDZBQOSA-N 2 0 302.462 2.745 20 0 DFADRP C[C@@H](c1ccccc1)[C@@H](O)C[NH+]1CCC2(CCC[N@@H+]2C)CC1 ZINC000450650002 429670860 /nfs/dbraw/zinc/67/08/60/429670860.db2.gz YHSAHRZNBGQGKZ-WMZOPIPTSA-N 2 0 302.462 2.711 20 0 DFADRP CC[NH+]1CCN([C@H](C)C[NH2+][C@H]2CCCc3sccc32)CC1 ZINC000155693564 276199658 /nfs/dbraw/zinc/19/96/58/276199658.db2.gz SDKQBVFHDIWDON-ZBFHGGJFSA-N 2 0 307.507 2.741 20 0 DFADRP CC[N@@H+]1CC[C@H](NC2CC[NH+](Cc3ccccc3)CC2)[C@H](C)C1 ZINC000132326443 276228393 /nfs/dbraw/zinc/22/83/93/276228393.db2.gz ZZOAIRICSVPTKD-XLIONFOSSA-N 2 0 315.505 2.971 20 0 DFADRP CCC[C@@H](C(=O)N1CCC[C@H](C[NH+]2CCCCCC2)C1)[NH+](C)C ZINC000133863591 276268651 /nfs/dbraw/zinc/26/86/51/276268651.db2.gz OWOJNKIPFRDCRE-MSOLQXFVSA-N 2 0 323.525 2.831 20 0 DFADRP CCC[C@H]([NH2+]C(C)C)C(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000355232871 276286557 /nfs/dbraw/zinc/28/65/57/276286557.db2.gz HJXUQNZMEHHWKU-OKZBNKHCSA-N 2 0 317.477 2.715 20 0 DFADRP CN(CC[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@@H]21)Cc1ccc(F)cc1 ZINC000367617734 429687936 /nfs/dbraw/zinc/68/79/36/429687936.db2.gz REFKDWHUZHEHQY-GUDVDZBRSA-N 2 0 319.468 2.720 20 0 DFADRP CC(C)[C@@H]([NH3+])CC[N@H+](C)CCc1nc(-c2ccccc2)no1 ZINC000430594309 429698797 /nfs/dbraw/zinc/69/87/97/429698797.db2.gz VGRKQSXNCTYQPY-HNNXBMFYSA-N 2 0 302.422 2.584 20 0 DFADRP CC[NH2+]CC1CC[NH+]([C@@H](C)C(=O)Nc2ccc(C)c(F)c2)CC1 ZINC000430571207 429693331 /nfs/dbraw/zinc/69/33/31/429693331.db2.gz HRAZNAQFLCQLHY-AWEZNQCLSA-N 2 0 321.440 2.783 20 0 DFADRP CC[NH2+]CC1CC[NH+]([C@H]2CCCN(c3ccccc3)C2=O)CC1 ZINC000430568269 429694264 /nfs/dbraw/zinc/69/42/64/429694264.db2.gz FVCHGZYDVXZUNA-SFHVURJKSA-N 2 0 315.461 2.504 20 0 DFADRP CCO[C@@H]1COCC[C@H]1[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000354971433 276341179 /nfs/dbraw/zinc/34/11/79/276341179.db2.gz TYYXSHCYWAWCOW-QZTJIDSGSA-N 2 0 310.482 2.567 20 0 DFADRP CC(C)[C@](C)(C[NH3+])[NH2+]CCc1nc(-c2ccc(Cl)cc2)no1 ZINC000430588551 429695501 /nfs/dbraw/zinc/69/55/01/429695501.db2.gz ZYQIAISFVBDLRO-INIZCTEOSA-N 2 0 322.840 2.896 20 0 DFADRP COc1cc2c(cc1F)[nH+]ccc2N1C[C@@H]2CC[N@H+](C)[C@@H]2C1 ZINC000450773199 429696982 /nfs/dbraw/zinc/69/69/82/429696982.db2.gz AGPPYWIEEORRPR-MEDUHNTESA-N 2 0 301.365 2.523 20 0 DFADRP Cc1ccc(CC[N@@H+](C)[C@H]2CCN(C3CC[NH+](C)CC3)C2)cc1 ZINC000367677776 429697491 /nfs/dbraw/zinc/69/74/91/429697491.db2.gz HHZCPONKWKWMGR-FQEVSTJZSA-N 2 0 315.505 2.638 20 0 DFADRP C[N@H+](Cc1ccc(OCc2ccccn2)cc1)C1CC[NH2+]CC1 ZINC000430613935 429700294 /nfs/dbraw/zinc/70/02/94/429700294.db2.gz XUFPKOMACYAGRD-UHFFFAOYSA-N 2 0 311.429 2.844 20 0 DFADRP Cc1ccc(Cl)cc1NC(=O)[C@@H](C)[NH+]1CCC(C[NH3+])CC1 ZINC000430599342 429700414 /nfs/dbraw/zinc/70/04/14/429700414.db2.gz AJBVCWVXJBDIMP-GFCCVEGCSA-N 2 0 309.841 2.646 20 0 DFADRP CC[NH+]1CCN([C@H]2CC[N@@H+]([C@@H](C)c3ccccc3C)C2)CC1 ZINC000130562602 276387766 /nfs/dbraw/zinc/38/77/66/276387766.db2.gz CKPFLCOXEFJQJV-ROUUACIJSA-N 2 0 301.478 2.768 20 0 DFADRP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+]C[C@@H](C)OC)CC1 ZINC000182432655 276388298 /nfs/dbraw/zinc/38/82/98/276388298.db2.gz MRHLTOCJTYZJKF-CABCVRRESA-N 2 0 323.456 2.653 20 0 DFADRP [NH3+]C[C@H]1CCC[N@H+](CCOc2ccc(OC(F)(F)F)cc2)C1 ZINC000430619967 429702952 /nfs/dbraw/zinc/70/29/52/429702952.db2.gz ARBDGQWVILYMTL-GFCCVEGCSA-N 2 0 318.339 2.635 20 0 DFADRP C[NH2+]C[C@@H]1CCC[N@H+](CCC(=O)Nc2ccc(Cl)cc2)C1 ZINC000430629364 429703900 /nfs/dbraw/zinc/70/39/00/429703900.db2.gz PZARQDRLPORLCQ-ZDUSSCGKSA-N 2 0 309.841 2.600 20 0 DFADRP C[C@@H]([NH2+]C1(CNC(=O)C(C)(C)C[NH3+])CCCC1)c1ccccc1 ZINC000430701756 429710917 /nfs/dbraw/zinc/71/09/17/429710917.db2.gz WMERSQKFNBEHLQ-OAHLLOKOSA-N 2 0 317.477 2.751 20 0 DFADRP OC[C@H]1CCC[N@@H+]1CCCC[NH2+]Cc1ccc(C(F)F)cc1 ZINC000526977955 429714017 /nfs/dbraw/zinc/71/40/17/429714017.db2.gz XPYHZLFBPRZJMZ-MRXNPFEDSA-N 2 0 312.404 2.951 20 0 DFADRP c1cn2c(C[NH+]3CCC4(CC[NH2+]C4)CC3)c(C3CC3)nc2s1 ZINC000430929691 429725431 /nfs/dbraw/zinc/72/54/31/429725431.db2.gz YFNHDZCFQKNJIC-UHFFFAOYSA-N 2 0 316.474 2.849 20 0 DFADRP Cc1ccc(NC(=O)[C@H](C)[NH+]2CCC([C@@H](C)[NH3+])CC2)cc1F ZINC000430938092 429727287 /nfs/dbraw/zinc/72/72/87/429727287.db2.gz ADDUEDZUNMOIKE-OLZOCXBDSA-N 2 0 307.413 2.520 20 0 DFADRP CCC(CC)[N@@H+](CC(=O)NC1CC[NH+](C2CC2)CC1)CC(C)C ZINC000482857324 429728447 /nfs/dbraw/zinc/72/84/47/429728447.db2.gz JLYFAZVDSGGAMI-UHFFFAOYSA-N 2 0 323.525 2.876 20 0 DFADRP Cc1ncc(C[NH+]2CCC3(CC[NH2+]C3)CC2)n1-c1ccccc1 ZINC000430961052 429729320 /nfs/dbraw/zinc/72/93/20/429729320.db2.gz BNHNYGCOIIBBKG-UHFFFAOYSA-N 2 0 310.445 2.756 20 0 DFADRP CSc1ccccc1NC(=O)CC[N@@H+]1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000430959971 429729452 /nfs/dbraw/zinc/72/94/52/429729452.db2.gz FYZVVUDNSNHNMO-KBPBESRZSA-N 2 0 321.490 2.796 20 0 DFADRP CC(C)[C@H](NC(=O)C[NH+]1CCC([C@H](C)[NH3+])CC1)c1ccccc1 ZINC000430962740 429731293 /nfs/dbraw/zinc/73/12/93/429731293.db2.gz RCXVFINVLWXCCG-KXBFYZLASA-N 2 0 317.477 2.559 20 0 DFADRP C[C@@H]1[C@H]([NH+]2CCCC2)CCN1CC[N@H+](C)Cc1ccc(F)cc1 ZINC000367855731 429732027 /nfs/dbraw/zinc/73/20/27/429732027.db2.gz IXEZXFJRHVZALN-VQIMIIECSA-N 2 0 319.468 2.816 20 0 DFADRP c1ccc(CCOCCC[NH+]2CCC3(CC[NH2+]C3)CC2)cc1 ZINC000431035995 429736516 /nfs/dbraw/zinc/73/65/16/429736516.db2.gz CNRAZKQKJNCJHX-UHFFFAOYSA-N 2 0 302.462 2.711 20 0 DFADRP C[N@H+](CCNC(=O)[C@H]1CCCCCC[C@@H]1[NH3+])Cc1ccccc1 ZINC000431047299 429737696 /nfs/dbraw/zinc/73/76/96/429737696.db2.gz WRTMSRHKVFQABW-ROUUACIJSA-N 2 0 317.477 2.532 20 0 DFADRP CCN(C(=O)[C@H](C)[NH+]1CCC2(CC[NH2+]C2)CC1)c1ccccc1 ZINC000431034848 429737741 /nfs/dbraw/zinc/73/77/41/429737741.db2.gz PBIPMXKPGVJXJE-INIZCTEOSA-N 2 0 315.461 2.504 20 0 DFADRP C[N@@H+]1CC[C@H]2OCCN(CC34CC5CC(CC(C5)C3)C4)[C@H]2C1 ZINC000450956664 429738370 /nfs/dbraw/zinc/73/83/70/429738370.db2.gz SDKDNOOTOUUYLQ-ZBHMHGNTSA-N 2 0 304.478 2.608 20 0 DFADRP C[N@@H+]1CC[C@H]2OCCN(CC34CC5CC(CC(C5)C3)C4)[C@@H]2C1 ZINC000450956661 429739012 /nfs/dbraw/zinc/73/90/12/429739012.db2.gz SDKDNOOTOUUYLQ-ROIMYGTQSA-N 2 0 304.478 2.608 20 0 DFADRP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@@H+]2CCCc1cccc(F)c1 ZINC000367915142 429741567 /nfs/dbraw/zinc/74/15/67/429741567.db2.gz CIJRFNKIMULUNZ-GUDVDZBRSA-N 2 0 320.452 2.942 20 0 DFADRP CCn1ccnc1CN1CC[C@@H](n2c(C)[nH+]c3c2CCCC3)C1 ZINC000432075315 429799142 /nfs/dbraw/zinc/79/91/42/429799142.db2.gz FAOCPPQTHBRUEZ-OAHLLOKOSA-N 2 0 313.449 2.734 20 0 DFADRP CC1CCC(O)(C[N@@H+]2CC[C@@H](n3cnc4c3CCCC4)C2)CC1 ZINC000432074593 429799325 /nfs/dbraw/zinc/79/93/25/429799325.db2.gz CCUJDZWEUYXHSK-KOHRHEQBSA-N 2 0 317.477 2.950 20 0 DFADRP C[N@@H+]1CCCC[C@@H]1CC[NH+]1CC[C@H](n2cnc3c2CCCC3)C1 ZINC000432093048 429801386 /nfs/dbraw/zinc/80/13/86/429801386.db2.gz ZYHGJNSRHMPBLJ-SJORKVTESA-N 2 0 316.493 2.883 20 0 DFADRP CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)c1ccccc1C[NH+](C)C ZINC000486919877 429752978 /nfs/dbraw/zinc/75/29/78/429752978.db2.gz JYAGYNXRRMKAOQ-QGZVFWFLSA-N 2 0 317.477 2.598 20 0 DFADRP COC(=O)C1(C[NH2+]C2CC[NH+]([C@@H]3CCCC[C@H]3C)CC2)CC1 ZINC000486924234 429753133 /nfs/dbraw/zinc/75/31/33/429753133.db2.gz JBTFTKDKEJJNNB-GDBMZVCRSA-N 2 0 308.466 2.572 20 0 DFADRP COC(=O)C1(C[NH2+]C2CC[NH+]([C@H]3CCCC[C@H]3C)CC2)CC1 ZINC000486924239 429753970 /nfs/dbraw/zinc/75/39/70/429753970.db2.gz JBTFTKDKEJJNNB-ZBFHGGJFSA-N 2 0 308.466 2.572 20 0 DFADRP CCO[C@H]1C[C@H]([NH2+]C2CCN(c3cc[nH+]cc3)CC2)C12CCC2 ZINC000294312720 276490138 /nfs/dbraw/zinc/49/01/38/276490138.db2.gz WBSJTEZOAGPEER-ROUUACIJSA-N 2 0 315.461 2.988 20 0 DFADRP C[C@H](c1ccccc1)[C@H](O)C[N@@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000451070359 429761799 /nfs/dbraw/zinc/76/17/99/429761799.db2.gz OLYJJJJCVTVPDI-BHIYHBOVSA-N 2 0 302.462 2.569 20 0 DFADRP COc1cc(C[NH2+]C2CCN(C)CC2)cc(C(F)(F)F)c1 ZINC000527630773 429770176 /nfs/dbraw/zinc/77/01/76/429770176.db2.gz HETDVNUFJGRNFK-UHFFFAOYSA-N 2 0 302.340 2.898 20 0 DFADRP CCC[NH+]1CCC(NC(=O)C[C@@H](c2ccccc2)[NH+](C)C)CC1 ZINC000431614310 429773121 /nfs/dbraw/zinc/77/31/21/429773121.db2.gz NFTLKFDBMTZVSD-SFHVURJKSA-N 2 0 317.477 2.670 20 0 DFADRP C[C@@H]1CN(C(=O)/C=C/c2ncc[nH]2)[C@@H](C)C[N@@H+]1Cc1ccccc1 ZINC000493672769 429807634 /nfs/dbraw/zinc/80/76/34/429807634.db2.gz IOVNZNLEVUXOAA-USQNJUIBSA-N 2 0 324.428 2.544 20 0 DFADRP C[C@H]([NH2+]C1CC[NH+]([C@H]2CCCC[C@H]2O)CC1)[C@@H]1C[C@H]1C1CC1 ZINC000527675892 429776327 /nfs/dbraw/zinc/77/63/27/429776327.db2.gz REENITJPWCSKCD-AUEKSGIPSA-N 2 0 306.494 2.779 20 0 DFADRP C[C@@H]1CCC[N@H+](CCCCNC(=O)CC[C@@H]2CCCC[NH+]2C)C1 ZINC000431746886 429780739 /nfs/dbraw/zinc/78/07/39/429780739.db2.gz XEDBDYDUJJTULL-MSOLQXFVSA-N 2 0 323.525 2.879 20 0 DFADRP C[C@H]1C[N@H+](CCC[NH2+]Cc2cc3ccc(F)cc3[nH]2)CCCO1 ZINC000432348285 429816327 /nfs/dbraw/zinc/81/63/27/429816327.db2.gz QJMBOEJIFXOWGY-AWEZNQCLSA-N 2 0 319.424 2.898 20 0 DFADRP C[C@@H]([NH2+]Cc1ccncc1OCCC[NH+](C)C)[C@H]1CC12CC2 ZINC000527901667 429817750 /nfs/dbraw/zinc/81/77/50/429817750.db2.gz RVEVMNPOJJZPNQ-GDBMZVCRSA-N 2 0 303.450 2.690 20 0 DFADRP CCO[C@@H]1C[C@@H]([NH2+]CCC[N@@H+]2CCCO[C@@H](C)C2)C12CCCC2 ZINC000432413453 429821436 /nfs/dbraw/zinc/82/14/36/429821436.db2.gz MRZJJSKJIXZKPZ-RCCFBDPRSA-N 2 0 324.509 2.815 20 0 DFADRP C[C@@H]([NH2+]CCC[N@@H+]1CCCO[C@H](C)C1)c1ccccc1N(C)C ZINC000432410524 429822641 /nfs/dbraw/zinc/82/26/41/429822641.db2.gz PRFFSKBXGLUMPJ-IAGOWNOFSA-N 2 0 319.493 2.904 20 0 DFADRP C[N@@H+]1CC[C@H]([NH2+]C[C@]2(C)COc3ccccc3O2)[C@@H]2CCC[C@@H]21 ZINC000527935534 429823220 /nfs/dbraw/zinc/82/32/20/429823220.db2.gz ZWIMAWLIZAPSOV-IUVQAAGXSA-N 2 0 316.445 2.679 20 0 DFADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]C[C@@]1(C)COc2ccccc2O1 ZINC000527930047 429823557 /nfs/dbraw/zinc/82/35/57/429823557.db2.gz HDKZRAHYTNKBRZ-BSXFFOKHSA-N 2 0 304.434 2.535 20 0 DFADRP c1ccc(C[N@H+]2C[C@@H]3CC[C@H]([NH2+]CC45CC(C4)CO5)[C@@H]3C2)cc1 ZINC000527982099 429831415 /nfs/dbraw/zinc/83/14/15/429831415.db2.gz QLNPWSLBZAAEJN-WDEUGEGNSA-N 2 0 312.457 2.666 20 0 DFADRP c1ccc(C[N@H+]2C[C@@H]3CCCC[C@@H]([NH2+]CC4COC4)[C@@H]3C2)cc1 ZINC000528024953 429839452 /nfs/dbraw/zinc/83/94/52/429839452.db2.gz FHZXYLLGRRPMSX-XUVXKRRUSA-N 2 0 314.473 2.913 20 0 DFADRP CC[C@@H]1C[C@H](C)CC[C@@H]1[NH2+][C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000371338101 276588431 /nfs/dbraw/zinc/58/84/31/276588431.db2.gz YOIURSVQTLQOSN-MTNOOBJLSA-N 2 0 307.526 2.959 20 0 DFADRP CC[NH+](CC)Cc1ccccc1CNC(=O)[C@@]1(CC)CC[NH2+]C1 ZINC000368517296 429860010 /nfs/dbraw/zinc/86/00/10/429860010.db2.gz ZIRKTNSAEGZQPI-IBGZPJMESA-N 2 0 317.477 2.534 20 0 DFADRP OCc1ccc(F)c(CN2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000528421780 429886678 /nfs/dbraw/zinc/88/66/78/429886678.db2.gz BFPJLUUVKZVLAJ-HNAYVOBHSA-N 2 0 318.436 2.767 20 0 DFADRP CO[C@H](Cc1ccc(F)cc1)C[N@@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000528478086 429891830 /nfs/dbraw/zinc/89/18/30/429891830.db2.gz SOWLFRGYLSSENJ-ZWKOTPCHSA-N 2 0 308.441 2.799 20 0 DFADRP CO[C@H](Cc1ccc(F)cc1)C[N@@H+]1CCC[C@@]2(CC[NH+](C)C2)C1 ZINC000528520346 429896599 /nfs/dbraw/zinc/89/65/99/429896599.db2.gz WXSFXNVSMSXAMP-MOPGFXCFSA-N 2 0 320.452 2.801 20 0 DFADRP CCC[N@@H+]1CCCN(C(=O)Nc2cccc(C[NH+](C)C)c2)CC1 ZINC000368840039 429898271 /nfs/dbraw/zinc/89/82/71/429898271.db2.gz YWSCRSYHKQFMDH-UHFFFAOYSA-N 2 0 318.465 2.698 20 0 DFADRP CC(C)[C@@H]1CN(Cc2nccn2C)CC[N@@H+]1Cc1ccccc1 ZINC000528637495 429903662 /nfs/dbraw/zinc/90/36/62/429903662.db2.gz GEFPZWFOTISSPQ-SFHVURJKSA-N 2 0 312.461 2.763 20 0 DFADRP CCC[NH+]1CCN(C2CC[NH+](Cc3ccc(F)cc3)CC2)CC1 ZINC000369153442 429915869 /nfs/dbraw/zinc/91/58/69/429915869.db2.gz CZTMYXFBLBFZRM-UHFFFAOYSA-N 2 0 319.468 2.818 20 0 DFADRP C[C@H](CCC1CCCC1)[NH2+][C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1 ZINC000556952622 429923848 /nfs/dbraw/zinc/92/38/48/429923848.db2.gz HMFKMIAACJGFGH-BJZITVGISA-N 2 0 321.509 2.582 20 0 DFADRP Cc1ccc(C[N@@H+]2CCN(C3CC[NH+](C)CC3)[C@@H](C)C2)s1 ZINC000368584337 429871348 /nfs/dbraw/zinc/87/13/48/429871348.db2.gz MIWCWGKDQXSFIH-AWEZNQCLSA-N 2 0 307.507 2.657 20 0 DFADRP Cc1cc(F)ccc1C[NH+]1CCC(N2CCOC[C@H]2C)CC1 ZINC000573504194 429957575 /nfs/dbraw/zinc/95/75/75/429957575.db2.gz XALNGEFXDGYTKX-OAHLLOKOSA-N 2 0 306.425 2.819 20 0 DFADRP CN(C)CC[NH2+][C@@H]1CCCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000558253776 429966094 /nfs/dbraw/zinc/96/60/94/429966094.db2.gz FAADWEWOGUQVMT-HSALFYBXSA-N 2 0 315.505 2.828 20 0 DFADRP C[NH+]1CCC2(CC[N@H+](Cc3nc4cc(F)ccc4o3)C2)CC1 ZINC000639757631 429970545 /nfs/dbraw/zinc/97/05/45/429970545.db2.gz JYRWEPJIBQVFSY-UHFFFAOYSA-N 2 0 303.381 2.885 20 0 DFADRP C[C@@H](c1ccccc1)[C@H](O)C[N@@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC000639754692 429971286 /nfs/dbraw/zinc/97/12/86/429971286.db2.gz DMOVFRBBDKWXAM-FUHWJXTLSA-N 2 0 302.462 2.569 20 0 DFADRP C[NH+]1CCC2(CC[N@@H+]([C@@H]3CCN(Cc4ccccc4)C3)C2)CC1 ZINC000639754568 429971387 /nfs/dbraw/zinc/97/13/87/429971387.db2.gz CGQMJWAYQXPVTO-LJQANCHMSA-N 2 0 313.489 2.679 20 0 DFADRP C[NH+]1CCC2(CC[N@H+](Cc3ccn(-c4ccccc4)n3)C2)CC1 ZINC000639758551 429972183 /nfs/dbraw/zinc/97/21/83/429972183.db2.gz UXTBLMFHJGTXIX-UHFFFAOYSA-N 2 0 310.445 2.790 20 0 DFADRP C[NH+]1CCC2(CC[N@H+](Cc3cc(-c4ccco4)on3)C2)CC1 ZINC000639762397 429972874 /nfs/dbraw/zinc/97/28/74/429972874.db2.gz KRKUNHPPBIIFBX-UHFFFAOYSA-N 2 0 301.390 2.852 20 0 DFADRP C[C@H]([NH2+][C@H]1CCCC[C@H]1C[NH3+])c1cccc(N2CCOCC2)c1 ZINC000573711340 429974934 /nfs/dbraw/zinc/97/49/34/429974934.db2.gz HVRMOZSUJZJBJM-IEZWGBDMSA-N 2 0 317.477 2.691 20 0 DFADRP C[C@H]1OCC[C@@H]1C[NH+]1CCN(c2cc[nH+]c3ccccc32)CC1 ZINC000639642623 429930463 /nfs/dbraw/zinc/93/04/63/429930463.db2.gz VQEFOCNBWYARLO-HZPDHXFCSA-N 2 0 311.429 2.782 20 0 DFADRP CC(C)CC[N@@H+]1Cc2cccc(NC(=O)C[NH2+]C3CC3)c2C1 ZINC000573209838 429935142 /nfs/dbraw/zinc/93/51/42/429935142.db2.gz QGVPJIARKYUNLM-UHFFFAOYSA-N 2 0 301.434 2.739 20 0 DFADRP O[C@@H](C[N@@H+]1CCCN(c2cc[nH+]cc2)CC1)C1CCCCC1 ZINC000639683681 429946661 /nfs/dbraw/zinc/94/66/61/429946661.db2.gz LGBSQVWMQIRQEI-SFHVURJKSA-N 2 0 303.450 2.535 20 0 DFADRP c1ccc2c(CC[N@@H+]3CCCN(c4cc[nH+]cc4)CC3)noc2c1 ZINC000639683099 429947070 /nfs/dbraw/zinc/94/70/70/429947070.db2.gz GYEQHPIIZUTXKE-UHFFFAOYSA-N 2 0 322.412 2.978 20 0 DFADRP [NH3+]C[C@H]1CC[C@@H](Nc2cc(N3CCc4ccccc43)ncn2)C1 ZINC000573823843 429986539 /nfs/dbraw/zinc/98/65/39/429986539.db2.gz HLSCWENCRBVVBY-DZGCQCFKSA-N 2 0 309.417 2.710 20 0 DFADRP Cc1cc(C)c(Cn2c3ccccc3nc2NC[C@H](C)O)c(C)[nH+]1 ZINC000634539157 430029662 /nfs/dbraw/zinc/02/96/62/430029662.db2.gz QUXYXFNFVTTYOK-AWEZNQCLSA-N 2 0 324.428 3.198 20 0 DFADRP [NH3+][C@H]1CCC[C@H]([NH2+]CCc2ccc(OC(F)(F)F)cc2)C1 ZINC000574338985 430034226 /nfs/dbraw/zinc/03/42/26/430034226.db2.gz ISYZLQAWKRCIQV-STQMWFEESA-N 2 0 302.340 2.987 20 0 DFADRP C[NH+](C)CCCOc1cnccc1C[NH2+]C(C1CC1)C1CC1 ZINC000290543256 276785271 /nfs/dbraw/zinc/78/52/71/276785271.db2.gz ZZHUMUAAODGAOM-UHFFFAOYSA-N 2 0 303.450 2.690 20 0 DFADRP CCC1([NH+]2CCCC2)CCN([C@@H]2CCN(C(C)(C)C)C2=O)CC1 ZINC000639987052 430046069 /nfs/dbraw/zinc/04/60/69/430046069.db2.gz VKSPBYOUHMXINZ-MRXNPFEDSA-N 2 0 321.509 2.726 20 0 DFADRP CCCCNC(=O)CCN1CCC(CC)([NH+]2CCCC2)CC1 ZINC000639987890 430046383 /nfs/dbraw/zinc/04/63/83/430046383.db2.gz JHKZONXLEZVIEL-UHFFFAOYSA-N 2 0 309.498 2.633 20 0 DFADRP CCC[C@H]1CCCC[C@@H]1[NH2+]CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000574499185 430046562 /nfs/dbraw/zinc/04/65/62/430046562.db2.gz MDJXQTPCSMDFHA-YJBOKZPZSA-N 2 0 321.509 2.678 20 0 DFADRP Cc1ccc(CN2CC[C@@H]([NH2+][C@@H](C)C3CC[NH+](C)CC3)C2)cc1 ZINC000631748711 429989367 /nfs/dbraw/zinc/98/93/67/429989367.db2.gz JSWZNVAJFMOOEC-FXAWDEMLSA-N 2 0 315.505 2.889 20 0 DFADRP CCC[C@@]1(CO)CC[N@H+](Cc2cn(-c3cc[nH+]cc3)nc2C)C1 ZINC000574002274 430001106 /nfs/dbraw/zinc/00/11/06/430001106.db2.gz ADSZIZLBVXGVMZ-GOSISDBHSA-N 2 0 314.433 2.560 20 0 DFADRP CC[C@H](Cc1ccc(OC)c(OC)c1)[NH2+]C[C@@H](C)C[NH+](C)C ZINC000293732457 287915435 /nfs/dbraw/zinc/91/54/35/287915435.db2.gz QDYMHAMMZZBWOR-GDBMZVCRSA-N 2 0 308.466 2.812 20 0 DFADRP CC[N@H+](C)C[C@H](O)CN1CCC[C@H]1Cc1ccccc1Cl ZINC000574023303 430002629 /nfs/dbraw/zinc/00/26/29/430002629.db2.gz AEIURVUHQMBERR-HOTGVXAUSA-N 2 0 310.869 2.660 20 0 DFADRP CC[C@@H](C(=O)OC)N(C)C[C@@H]1CC[N@H+](Cc2ccc(C)s2)C1 ZINC000574088501 430009296 /nfs/dbraw/zinc/00/92/96/430009296.db2.gz BMYCUURUROWAIW-HOCLYGCPSA-N 2 0 324.490 2.762 20 0 DFADRP O[C@]1(C[NH+]2CCC(CCF)CC2)CCN(Cc2ccccc2)C1 ZINC000639990579 430048781 /nfs/dbraw/zinc/04/87/81/430048781.db2.gz PZKGWLZRBXISKB-IBGZPJMESA-N 2 0 320.452 2.695 20 0 DFADRP C[C@@H]([NH2+]Cc1ccnc(OCC[NH+](C)C)c1)C1CC(F)(F)C1 ZINC000529542646 430025993 /nfs/dbraw/zinc/02/59/93/430025993.db2.gz RASWFNZVZASTPG-GFCCVEGCSA-N 2 0 313.392 2.545 20 0 DFADRP [NH3+]C[C@H]1CCCC[C@@H]1[NH2+]CC1(CO)CC(c2ccccc2)C1 ZINC000574268971 430026201 /nfs/dbraw/zinc/02/62/01/430026201.db2.gz OZWVHLIOUISVGZ-RRENTHDGSA-N 2 0 302.462 2.650 20 0 DFADRP C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C[NH2+][C@@H]1CCCC[C@H]1O ZINC000634723656 430090403 /nfs/dbraw/zinc/09/04/03/430090403.db2.gz AGUSFAQSFRDAKK-GDAAHCPNSA-N 2 0 302.462 2.648 20 0 DFADRP Cc1ccc(-c2nn(C)cc2C[NH2+][C@H]2CC[NH2+]CC(C)(C)C2)o1 ZINC000634733306 430092740 /nfs/dbraw/zinc/09/27/40/430092740.db2.gz CHBNRFUVTMLXFW-HNNXBMFYSA-N 2 0 316.449 2.856 20 0 DFADRP C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1[NH2+][C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000530222822 430105930 /nfs/dbraw/zinc/10/59/30/430105930.db2.gz HRNAHXNAUFOTFG-MXNRTCDRSA-N 2 0 316.445 2.644 20 0 DFADRP C[C@@H]1C[C@H](C[N@@H+]2CCc3nc(C(C)(C)C)ncc3C2)CC[NH2+]1 ZINC000530241214 430106839 /nfs/dbraw/zinc/10/68/39/430106839.db2.gz DNELDEQWIWTQEN-ZIAGYGMSSA-N 2 0 302.466 2.520 20 0 DFADRP C[C@H]1C[C@H](C[N@@H+]2CCc3nc(C(C)(C)C)ncc3C2)CC[NH2+]1 ZINC000530241213 430107310 /nfs/dbraw/zinc/10/73/10/430107310.db2.gz DNELDEQWIWTQEN-UONOGXRCSA-N 2 0 302.466 2.520 20 0 DFADRP CC1(C)C[NH2+]CC[C@H](NC(=O)CC[C@H]([NH3+])CC2CCCCC2)C1 ZINC000634764205 430108228 /nfs/dbraw/zinc/10/82/28/430108228.db2.gz NHACRWPXNKRWRJ-IRXDYDNUSA-N 2 0 323.525 2.959 20 0 DFADRP C[C@@H]1CCC[C@@H]([NH+]2CCC([NH2+]CCc3cncn3C)CC2)C1 ZINC000530355011 430112802 /nfs/dbraw/zinc/11/28/02/430112802.db2.gz SZDWLYBPDDKPOW-NVXWUHKLSA-N 2 0 304.482 2.595 20 0 DFADRP C[C@@H](C(=O)NC[C@@H]1CC[NH+]1C1CCCCC1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000529720875 430061305 /nfs/dbraw/zinc/06/13/05/430061305.db2.gz SMLBUEGSDZAOQZ-DFGXFYAUSA-N 2 0 321.509 2.771 20 0 DFADRP C[C@@H](C(=O)NC[C@H]1CC[NH+]1C1CCCCC1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000529720879 430063038 /nfs/dbraw/zinc/06/30/38/430063038.db2.gz SMLBUEGSDZAOQZ-UIBIWLFHSA-N 2 0 321.509 2.771 20 0 DFADRP CC[C@H]([NH2+][C@H](CN1CC[NH+](C)CC1)c1ccccc1)[C@@H]1C[C@@H]1C ZINC000560880538 430069901 /nfs/dbraw/zinc/06/99/01/430069901.db2.gz YOUHKEUWBPXBCC-OJAHFUOMSA-N 2 0 315.505 2.999 20 0 DFADRP C[C@H]([NH2+][C@H]1CC[C@H](O)CC1)c1ccc(OCC[NH+](C)C)cc1 ZINC000560908032 430070091 /nfs/dbraw/zinc/07/00/91/430070091.db2.gz HCSHMDQYWWBFFJ-XIRDDKMYSA-N 2 0 306.450 2.581 20 0 DFADRP C[C@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)CC[N@H+](C)C1CCCCC1 ZINC000561228919 430083227 /nfs/dbraw/zinc/08/32/27/430083227.db2.gz FZLMMGJYJNYBMW-FUHWJXTLSA-N 2 0 321.509 2.726 20 0 DFADRP CC[NH+]1CCC(CNC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)CC1 ZINC000562658091 430160687 /nfs/dbraw/zinc/16/06/87/430160687.db2.gz SYUAYARWVYWDDN-GOSISDBHSA-N 2 0 321.509 2.632 20 0 DFADRP c1ccc(C[N@H+]2CC[C@H](NCC[NH+]3CCCC3)CC23CC3)cc1 ZINC000580951787 430164425 /nfs/dbraw/zinc/16/44/25/430164425.db2.gz NIULMDWVLOENDA-IBGZPJMESA-N 2 0 313.489 2.869 20 0 DFADRP Cc1ccc(CC[NH2+][C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)o1 ZINC000581005959 430168915 /nfs/dbraw/zinc/16/89/15/430168915.db2.gz JLEQIBUOBXHOTJ-MJGOQNOKSA-N 2 0 312.413 2.976 20 0 DFADRP C[C@H]([NH2+][C@H]1CCC[C@H]([NH3+])C1)c1ccc(-n2cccn2)c(F)c1 ZINC000581021997 430172364 /nfs/dbraw/zinc/17/23/64/430172364.db2.gz HQYTTWMWEUWPNH-QEJZJMRPSA-N 2 0 302.397 2.932 20 0 DFADRP c1ccc([C@H]2OCC[C@H]2[NH2+]Cc2ccc3c(c2)C[NH2+]CC3)cc1 ZINC000581078208 430175813 /nfs/dbraw/zinc/17/58/13/430175813.db2.gz ZFWRAYNOUQVYBW-WOJBJXKFSA-N 2 0 308.425 2.952 20 0 DFADRP Cc1c([C@H](C)NC[C@@H]2CCC[N@H+](C)C2)nnn1-c1ccccc1 ZINC000562316866 430118676 /nfs/dbraw/zinc/11/86/76/430118676.db2.gz HESQUBIKQUBMSC-HOCLYGCPSA-N 2 0 313.449 2.568 20 0 DFADRP c1cnc2cc(C[NH2+]C[C@@H]3CCC[N@H+](CC4CC4)C3)ccc2n1 ZINC000634987504 430183536 /nfs/dbraw/zinc/18/35/36/430183536.db2.gz WQPIPVRDZVBVIA-KRWDZBQOSA-N 2 0 310.445 2.841 20 0 DFADRP C[NH+]1CCC2(CCC[N@H+](Cc3nc(-c4ccco4)no3)C2)CC1 ZINC000370711038 277036631 /nfs/dbraw/zinc/03/66/31/277036631.db2.gz VTJCJMMHYFTZKS-UHFFFAOYSA-N 2 0 316.405 2.637 20 0 DFADRP C[C@@H]([NH3+])[C@H]1CCC[N@H+](Cc2cccc(-c3ccc(N)cc3)n2)C1 ZINC000634991230 430185124 /nfs/dbraw/zinc/18/51/24/430185124.db2.gz VKRVUZRHEYZLJH-ZBFHGGJFSA-N 2 0 310.445 2.890 20 0 DFADRP C[N@@H+]1CCCC[C@@H]1CC[NH+]1CCCN2c3ccccc3C[C@@H]2C1 ZINC000289479863 277043732 /nfs/dbraw/zinc/04/37/32/277043732.db2.gz NZTXTLSOUQKHTP-RTBURBONSA-N 2 0 313.489 2.998 20 0 DFADRP Nc1ccc(-c2cccc(C[N@@H+]3C[C@@H]4CCC[C@H]([NH3+])[C@H]4C3)n2)cc1 ZINC000634991392 430185682 /nfs/dbraw/zinc/18/56/82/430185682.db2.gz CCTBNAHATFNCDE-SNRMKQJTSA-N 2 0 322.456 2.890 20 0 DFADRP CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)CC12CC(C1)C[NH2+]2 ZINC000634993021 430185760 /nfs/dbraw/zinc/18/57/60/430185760.db2.gz IZFTZLYHHCJJJJ-HDYDNRTBSA-N 2 0 313.489 2.582 20 0 DFADRP C[N@@H+]1CCC[C@@H](CNC(N)=[NH2+])[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000304265045 277053383 /nfs/dbraw/zinc/05/33/83/277053383.db2.gz VBCAVCDSFPUEQS-WCQYABFASA-N 2 0 314.355 2.571 20 0 DFADRP [NH3+][C@H]1CCCCC[C@@H]1[NH2+]CCc1nc(-c2ccncc2)cs1 ZINC000581185265 430186560 /nfs/dbraw/zinc/18/65/60/430186560.db2.gz NQMNBUJZJRTGNI-GJZGRUSLSA-N 2 0 316.474 2.997 20 0 DFADRP Cc1cc(C)cc(OC[C@H](O)C[NH2+][C@H]2CCC[C@@H]([NH+](C)C)C2)c1 ZINC000581185775 430187141 /nfs/dbraw/zinc/18/71/41/430187141.db2.gz GWQOPSWUXBXVEQ-RCCFBDPRSA-N 2 0 320.477 2.506 20 0 DFADRP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)[C@H](C)Cc2ccsc2)CC1 ZINC000541225183 430187194 /nfs/dbraw/zinc/18/71/94/430187194.db2.gz GSRZHJMDZCCAQL-HUUCEWRRSA-N 2 0 310.507 2.704 20 0 DFADRP C[N@@H+]1CCC[C@@H]2C[NH+](C[C@H](O)c3ccc(Cl)cc3)CC[C@H]21 ZINC000247971081 277069041 /nfs/dbraw/zinc/06/90/41/277069041.db2.gz JKORVIJPGZBFLN-OIISXLGYSA-N 2 0 308.853 2.790 20 0 DFADRP CC(=O)Nc1ccc(CC[NH2+][C@@H]2CC[N@@H+](C)[C@H]3CCC[C@H]32)cc1 ZINC000367738362 277073372 /nfs/dbraw/zinc/07/33/72/277073372.db2.gz UAKQOJXDCUMTIM-OTWHNJEPSA-N 2 0 315.461 2.650 20 0 DFADRP C[C@H]1CN(Cc2ccccc2)C[C@@H]1[NH2+][C@H]1CC[C@H](C[NH3+])CC1 ZINC000635004304 430194759 /nfs/dbraw/zinc/19/47/59/430194759.db2.gz CWZRVORGTPQTSZ-CAMMJAKZSA-N 2 0 301.478 2.614 20 0 DFADRP C[N@@H+]1CCN(CC[NH2+][C@H]2CCc3c2c(F)ccc3F)CC1(C)C ZINC000282267035 277106439 /nfs/dbraw/zinc/10/64/39/277106439.db2.gz KFPQCNHLHBWFBV-INIZCTEOSA-N 2 0 323.431 2.568 20 0 DFADRP C[C@@H]1C[C@@H](C[NH2+][C@H](CCO)c2ccc(Cl)c(F)c2)CC[NH2+]1 ZINC000634997982 430189320 /nfs/dbraw/zinc/18/93/20/430189320.db2.gz XVKFFJQKQSZUMG-BFQNTYOBSA-N 2 0 314.832 2.880 20 0 DFADRP C[C@@H]1C[N@H+](Cc2cnn(Cc3ccccc3Cl)c2)C[C@H]1C[NH3+] ZINC000634999285 430190176 /nfs/dbraw/zinc/19/01/76/430190176.db2.gz RYWUTEZVSBYCFJ-CZUORRHYSA-N 2 0 318.852 2.611 20 0 DFADRP [NH3+][C@@H]1CCC[C@@H]1[NH2+][C@@H]1[C@H]2Cc3cc(Br)ccc3[C@@H]12 ZINC000635003922 430191781 /nfs/dbraw/zinc/19/17/81/430191781.db2.gz FYQHQYHSWNNOJG-XPABHHOTSA-N 2 0 307.235 2.557 20 0 DFADRP CC(C)C[C@H](C[NH+]1CCC([NH2+]CCO)CC1)c1ccccc1 ZINC000635002257 430191832 /nfs/dbraw/zinc/19/18/32/430191832.db2.gz MPHKPOVXOMTCRD-GOSISDBHSA-N 2 0 304.478 2.863 20 0 DFADRP C[N@H+](CCCC[NH+]1CCCCC1)C[C@H](O)COc1ccccc1 ZINC000640530627 430191927 /nfs/dbraw/zinc/19/19/27/430191927.db2.gz ACUSXVXVQFDXDX-SFHVURJKSA-N 2 0 320.477 2.624 20 0 DFADRP Fc1ccc([C@@H]2OCC[C@H]2[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)cc1F ZINC000635003036 430192295 /nfs/dbraw/zinc/19/22/95/430192295.db2.gz FIENZQNKJCJUOG-MIMASFHYSA-N 2 0 322.399 2.773 20 0 DFADRP CC(C)N(C(=O)C[N@H+](C)CCCC[NH+]1CCCCC1)C(C)C ZINC000640531075 430192321 /nfs/dbraw/zinc/19/23/21/430192321.db2.gz DIVUPEKCLXVRHQ-UHFFFAOYSA-N 2 0 311.514 2.830 20 0 DFADRP CCC(C)(C)NC(=O)[C@H](C)[N@H+](C)CCCC[NH+]1CCCCC1 ZINC000640530939 430192797 /nfs/dbraw/zinc/19/27/97/430192797.db2.gz IZVGXSVMCHMTFX-INIZCTEOSA-N 2 0 311.514 2.878 20 0 DFADRP Cn1ccc([C@@H]([NH2+][C@H]2CC[C@H](C[NH3+])CC2)c2ccc(F)cc2)n1 ZINC000635004095 430193542 /nfs/dbraw/zinc/19/35/42/430193542.db2.gz GSXOHNNPCIIOEB-OWQGQXMQSA-N 2 0 316.424 2.756 20 0 DFADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C[NH2+]C1CCC(C[NH3+])CC1 ZINC000635005633 430193672 /nfs/dbraw/zinc/19/36/72/430193672.db2.gz VUQKECUSDZVZFN-PYXOFJJQSA-N 3 0 315.505 2.862 20 0 DFADRP C[N@H+](CCCC[NH+]1CCCCC1)[C@@H]1C[C@@H]2CCCC[C@H]2NC1=O ZINC000640534694 430193956 /nfs/dbraw/zinc/19/39/56/430193956.db2.gz RVYDLZOKOFBISQ-RCCFBDPRSA-N 2 0 321.509 2.632 20 0 DFADRP C[C@H](CCCC[NH3+])[NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000635004614 430194155 /nfs/dbraw/zinc/19/41/55/430194155.db2.gz PVSBKVMHAZPYTN-ZHALLVOQSA-N 3 0 303.494 2.862 20 0 DFADRP c1cc(C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)c2c(c1)COCC2 ZINC000635011699 430195213 /nfs/dbraw/zinc/19/52/13/430195213.db2.gz GKQJXLMVJMWPQT-IPMKNSEASA-N 2 0 300.446 2.770 20 0 DFADRP CC(C)(C)[NH+]1CCC(NCc2cccc3c2CC[NH2+]C3)CC1 ZINC000635010865 430195442 /nfs/dbraw/zinc/19/54/42/430195442.db2.gz NSDVYNVGCAJUAT-UHFFFAOYSA-N 2 0 301.478 2.685 20 0 DFADRP [NH3+]C[C@H]1CC[C@H]([NH2+]C2CCN(Cc3ccccc3)CC2)CC1 ZINC000635008216 430195853 /nfs/dbraw/zinc/19/58/53/430195853.db2.gz SHQGINBFEXZIOM-SAABIXHNSA-N 2 0 301.478 2.758 20 0 DFADRP FC(F)(F)[C@@H]1C[C@H]1[NH2+][C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000635012030 430195904 /nfs/dbraw/zinc/19/59/04/430195904.db2.gz ISBYUPFMERFRCI-GUIRCDHDSA-N 2 0 312.335 2.783 20 0 DFADRP COCCC[NH+]1CCC([NH2+][C@@H]2CCCC[C@@H]2[C@H]2CCOC2)CC1 ZINC000373702284 277206903 /nfs/dbraw/zinc/20/69/03/277206903.db2.gz XFRNIECVQQIGGX-QXAKKESOSA-N 2 0 324.509 2.672 20 0 DFADRP Cc1ccc(CN2CC[C@H]([NH2+]C3CCC(C[NH3+])CC3)C2)cc1 ZINC000635012779 430196163 /nfs/dbraw/zinc/19/61/63/430196163.db2.gz ORSIWIVIIDGPKN-KVZIAJEVSA-N 2 0 301.478 2.676 20 0 DFADRP [NH3+][C@H](CCN[C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1)Cc1ccccc1 ZINC000635008160 430196187 /nfs/dbraw/zinc/19/61/87/430196187.db2.gz QWBZARKLTQDMCX-UAFMIMERSA-N 2 0 315.505 2.847 20 0 DFADRP Fc1ccc([C@@H]2OCC[C@H]2C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000635012033 430196340 /nfs/dbraw/zinc/19/63/40/430196340.db2.gz IUTVIGGKMZBHTB-APWQULEDSA-N 2 0 318.436 2.881 20 0 DFADRP C[C@H](Nc1cc(N2CC[NH2+]CC2)cc[nH+]1)c1ccccc1F ZINC000635009288 430196468 /nfs/dbraw/zinc/19/64/68/430196468.db2.gz MVQQLOONYPNFHT-ZDUSSCGKSA-N 2 0 300.381 2.803 20 0 DFADRP C[C@H](CC(=O)N(C)c1ccccc1)[NH2+][C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000635012327 430196494 /nfs/dbraw/zinc/19/64/94/430196494.db2.gz SNLDIYSROGIAPO-HZPDHXFCSA-N 2 0 317.477 2.796 20 0 DFADRP C[C@H]1Cc2ccccc2[C@H]1Nc1cc(N2CC[NH2+]CC2)cc[nH+]1 ZINC000635010274 430196704 /nfs/dbraw/zinc/19/67/04/430196704.db2.gz RLHNRCBGDIXFQC-LIRRHRJNSA-N 2 0 308.429 2.837 20 0 DFADRP FCCC[C@H]1CCC[C@@H]1Nc1cc(N2CC[NH2+]CC2)cc[nH+]1 ZINC000635012863 430197692 /nfs/dbraw/zinc/19/76/92/430197692.db2.gz WIEMKXPBRRAVHB-ZBFHGGJFSA-N 2 0 306.429 2.822 20 0 DFADRP CO[C@H](C[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@H]21)c1ccc(F)cc1 ZINC000353631566 277332340 /nfs/dbraw/zinc/33/23/40/277332340.db2.gz LYBDKPMRRITBNP-XWTMOSNGSA-N 2 0 306.425 2.976 20 0 DFADRP CC[NH+](CC)Cc1ccccc1CNC(=O)[C@H]([NH3+])CCC(C)C ZINC000638055065 430221278 /nfs/dbraw/zinc/22/12/78/430221278.db2.gz RYAXEHBARLHBJG-GOSISDBHSA-N 2 0 319.493 2.908 20 0 DFADRP CC[NH2+]CCC[NH2+][C@@H]1CCc2cccc(Br)c2C1 ZINC000581601911 430222781 /nfs/dbraw/zinc/22/27/81/430222781.db2.gz XUMUHULXAJEZKU-CYBMUJFWSA-N 2 0 311.267 2.896 20 0 DFADRP Cc1cc(C[NH3+])oc1C(=O)NC[C@H](C(C)C)[NH+]1CCC(C)CC1 ZINC000638063000 430223882 /nfs/dbraw/zinc/22/38/82/430223882.db2.gz BILYDFVEIIMNHO-MRXNPFEDSA-N 2 0 321.465 2.533 20 0 DFADRP CC1CC[NH+](Cc2ccc(NC(=O)C3=CC[C@@H]([NH3+])C3)cc2)CC1 ZINC000638063430 430224003 /nfs/dbraw/zinc/22/40/03/430224003.db2.gz MXYTXPWNLATNFC-QGZVFWFLSA-N 2 0 313.445 2.905 20 0 DFADRP COc1cccc(C)c1C[NH+]1CCC(OCC[NH+](C)C)CC1 ZINC000638061742 430224321 /nfs/dbraw/zinc/22/43/21/430224321.db2.gz MGYQRSWHJBVJQR-UHFFFAOYSA-N 2 0 306.450 2.546 20 0 DFADRP CC[NH2+][C@H](C)C(=O)NCc1ccc(C[N@@H+]2CCCC[C@H]2C)cc1 ZINC000638064392 430224621 /nfs/dbraw/zinc/22/46/21/430224621.db2.gz SYRZBCWDJNEKQI-HZPDHXFCSA-N 2 0 317.477 2.675 20 0 DFADRP Cc1ccc(C[NH2+][C@@H]2CCC[C@H]([NH3+])C2)c(-n2cc(Cl)cn2)n1 ZINC000581834994 430242933 /nfs/dbraw/zinc/24/29/33/430242933.db2.gz IPOBRAHTGBDEJN-LSDHHAIUSA-N 2 0 319.840 2.589 20 0 DFADRP CC[NH+](CC)[C@H](CN[C@@H]1CCC[C@H]([NH3+])C1)c1cccc(OC)c1 ZINC000567406961 430284544 /nfs/dbraw/zinc/28/45/44/430284544.db2.gz XUHPFOZTIJGWQM-YQVWRLOYSA-N 2 0 319.493 2.938 20 0 DFADRP [NH3+][C@@H]1CCC[C@@H]([NH2+][C@@H](c2ccc3c(c2)OCCO3)C2CC2)C1 ZINC000581894976 430249408 /nfs/dbraw/zinc/24/94/08/430249408.db2.gz NYERHODYCPDGSV-IIDMSEBBSA-N 2 0 302.418 2.768 20 0 DFADRP COc1cccc(C)c1C[N@@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@H]21 ZINC000638183612 430264632 /nfs/dbraw/zinc/26/46/32/430264632.db2.gz VGEUBPCFWIXZFU-SZVBFZGTSA-N 2 0 318.461 2.687 20 0 DFADRP [NH3+][C@H]1CCC[C@H]([NH2+]CCOc2ccc(C(F)(F)F)cc2)C1 ZINC000566483878 430265574 /nfs/dbraw/zinc/26/55/74/430265574.db2.gz XNZWPWXBKUJKAA-STQMWFEESA-N 2 0 302.340 2.944 20 0 DFADRP C[N@H+](Cc1ccccc1)[C@H](CN[C@H]1CCC[C@@H]([NH3+])C1)C1CC1 ZINC000566482467 430266581 /nfs/dbraw/zinc/26/65/81/430266581.db2.gz NWGLIAREMNIDIB-CEXWTWQISA-N 2 0 301.478 2.757 20 0 DFADRP COc1cc2c(cc1CN1CC[C@]3(CC[N@H+](C)C3)C1)O[C@@H](C)C2 ZINC000582099171 430267460 /nfs/dbraw/zinc/26/74/60/430267460.db2.gz NRNBETDUFKYWNY-LIRRHRJNSA-N 2 0 316.445 2.546 20 0 DFADRP C[NH2+]Cc1ccc(NC(=O)[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000638254410 430285282 /nfs/dbraw/zinc/28/52/82/430285282.db2.gz FLOWWUGHNOSLQL-GOSISDBHSA-N 2 0 323.440 2.867 20 0 DFADRP Cc1cc(C[NH3+])oc1C(=O)NCCCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000638067666 430225647 /nfs/dbraw/zinc/22/56/47/430225647.db2.gz SRDUGYSHUQDTKN-KBPBESRZSA-N 2 0 321.465 2.535 20 0 DFADRP [NH3+][C@@H]1CCC[C@@H]([NH2+][C@H]2c3ccccc3CC23CCOCC3)C1 ZINC000581618231 430227578 /nfs/dbraw/zinc/22/75/78/430227578.db2.gz VFDCECDFBCLRLA-NUJGCVRESA-N 2 0 300.446 2.940 20 0 DFADRP CC[NH2+][C@H](C)C(=O)NC[C@@H](c1ccccc1)[NH+]1CCC(C)CC1 ZINC000638076741 430228450 /nfs/dbraw/zinc/22/84/50/430228450.db2.gz MYQYVUZGZSKKND-AEFFLSMTSA-N 2 0 317.477 2.574 20 0 DFADRP C[N@H+](CCCO)C1CC[NH+](C[C@@]2(C)C[C@@H]2c2ccccc2)CC1 ZINC000638082261 430229636 /nfs/dbraw/zinc/22/96/36/430229636.db2.gz GRHSWUMWWOSMPY-WOJBJXKFSA-N 2 0 316.489 2.959 20 0 DFADRP Cc1cc(C[NH3+])oc1C(=O)NCC(C)(C)[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000638084648 430230234 /nfs/dbraw/zinc/23/02/34/430230234.db2.gz UHWPGSZVXZHYOU-BETUJISGSA-N 2 0 321.465 2.533 20 0 DFADRP CC(C)CC[C@H]([NH3+])C(=O)N1CCC[C@@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000638086987 430232317 /nfs/dbraw/zinc/23/23/17/430232317.db2.gz YSSJKXVBCQOBKO-BZSNNMDCSA-N 2 0 323.525 2.863 20 0 DFADRP O=C(CC[NH2+]CCCCC[NH+]1CCCCC1)Nc1cccnc1 ZINC000565887197 430232399 /nfs/dbraw/zinc/23/23/99/430232399.db2.gz HVEYNCNUOYNVFN-UHFFFAOYSA-N 2 0 318.465 2.656 20 0 DFADRP CC[N@@H+]1CC[C@H](N(C)Cc2c(OC)cccc2OC)[C@H](C)C1 ZINC000638110985 430239506 /nfs/dbraw/zinc/23/95/06/430239506.db2.gz ATTPQWCABCCBST-ZBFHGGJFSA-N 2 0 306.450 2.866 20 0 DFADRP CC(C)CC[C@@H]([NH3+])C(=O)Nc1ccc(OCCC[NH+](C)C)cc1 ZINC000638109870 430240131 /nfs/dbraw/zinc/24/01/31/430240131.db2.gz XAOSJNPMWFIADX-QGZVFWFLSA-N 2 0 321.465 2.719 20 0 DFADRP c1ccc(N2CC[C@@H](C[N@@H+]3CC[C@H](C[NH+]4CCCC4)C3)C2)cc1 ZINC000638113326 430240243 /nfs/dbraw/zinc/24/02/43/430240243.db2.gz RSPIEMGAFYOTEU-MOPGFXCFSA-N 2 0 313.489 2.931 20 0 DFADRP CC(C)CC[C@@H]([NH3+])C(=O)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000638289702 430295107 /nfs/dbraw/zinc/29/51/07/430295107.db2.gz APFOTRFKMJEVER-GOSISDBHSA-N 2 0 323.525 2.865 20 0 DFADRP C[C@@H](C[C@@H]1CCCC(=O)N1)[NH2+]CCC[N@H+](C)Cc1ccccc1 ZINC000638308543 430301146 /nfs/dbraw/zinc/30/11/46/430301146.db2.gz KBSHUOJMLZVAAS-WMZOPIPTSA-N 2 0 317.477 2.545 20 0 DFADRP CC(C)(O)C[NH+]1CCC([NH2+]CCCOC2CCCCC2)CC1 ZINC000638310784 430301254 /nfs/dbraw/zinc/30/12/54/430301254.db2.gz UOHWEVSSZKVOLZ-UHFFFAOYSA-N 2 0 312.498 2.551 20 0 DFADRP C[C@H](C(=O)Nc1cccc2c1CC[NH2+]C2)[C@H]([NH3+])c1ccccc1 ZINC000582476409 430303661 /nfs/dbraw/zinc/30/36/61/430303661.db2.gz VFAGDRQIKQHYKX-UGSOOPFHSA-N 2 0 309.413 2.607 20 0 DFADRP CC(C)[N@@H+]1CCCC[C@H]1Cn1cc([C@H]([NH3+])c2ccccc2)nn1 ZINC000641169110 430350420 /nfs/dbraw/zinc/35/04/20/430350420.db2.gz KCGORHLDXLUZJG-FUHWJXTLSA-N 2 0 313.449 2.589 20 0 DFADRP C[N@H+](CC(=O)N[C@H](CCC[NH3+])c1ccccc1)CC(C)(C)C ZINC000638330257 430306830 /nfs/dbraw/zinc/30/68/30/430306830.db2.gz UBORAMVKZRGLBY-MRXNPFEDSA-N 2 0 305.466 2.561 20 0 DFADRP C[C@H]([NH2+]CCCC[NH+]1CCN(C)CC1)[C@@H]1CC2CCC1CC2 ZINC000638360945 430316472 /nfs/dbraw/zinc/31/64/72/430316472.db2.gz XIHQUFVXQYBWDY-RGVPCPSESA-N 2 0 307.526 2.818 20 0 DFADRP CO[C@H](C[NH2+]CCCC[N@@H+]1CCCC[C@@H]1C)C1CCOCC1 ZINC000638365570 430318054 /nfs/dbraw/zinc/31/80/54/430318054.db2.gz GBBDADOZVYTKBS-FUHWJXTLSA-N 2 0 312.498 2.672 20 0 DFADRP C[C@H](C[C@@H]1CCCC(=O)N1)[NH2+]CCCC[N@@H+]1CCCC[C@@H]1C ZINC000638365082 430318516 /nfs/dbraw/zinc/31/85/16/430318516.db2.gz APRWZTBGFJVUPK-IKGGRYGDSA-N 2 0 309.498 2.678 20 0 DFADRP Cc1ccc([C@H](CN[C@@H]2CCC[C@@H]([NH3+])C2)[NH+]2CCCC2)cc1 ZINC000568107504 430318866 /nfs/dbraw/zinc/31/88/66/430318866.db2.gz OXSJNEKHJYCUQE-QRVBRYPASA-N 2 0 301.478 2.991 20 0 DFADRP CO[C@H](C[NH2+]CCCC[N@@H+]1CCC[C@@H](C)C1)C1CCOCC1 ZINC000638366567 430319392 /nfs/dbraw/zinc/31/93/92/430319392.db2.gz OJUYVPIGCWOOIC-SJLPKXTDSA-N 2 0 312.498 2.530 20 0 DFADRP C[C@H](C[C@@H]1CCCC(=O)N1)[NH2+]CCCC[N@@H+]1CCCC[C@H]1C ZINC000638365084 430319454 /nfs/dbraw/zinc/31/94/54/430319454.db2.gz APRWZTBGFJVUPK-ZACQAIPSSA-N 2 0 309.498 2.678 20 0 DFADRP C[C@H](C[C@@H]1CCCC(=O)N1)[NH2+]CCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000638369943 430320748 /nfs/dbraw/zinc/32/07/48/430320748.db2.gz JPCMSJXACAKLMM-XDNAFOTISA-N 2 0 323.525 2.781 20 0 DFADRP Cn1cncc1CCC[N@@H+]1CCC[C@@H]1Cn1cnc2ccccc21 ZINC000568166756 430322795 /nfs/dbraw/zinc/32/27/95/430322795.db2.gz RYVVAURDWQHDKY-QGZVFWFLSA-N 2 0 323.444 2.867 20 0 DFADRP C[NH2+]Cc1ccc(NC(=O)NC2CC([NH+]3CCCCC3)C2)cc1 ZINC000568369203 430350915 /nfs/dbraw/zinc/35/09/15/430350915.db2.gz OQNVBIDYPUMQON-UHFFFAOYSA-N 2 0 316.449 2.544 20 0 DFADRP CCC[N@@H+]1CC[C@H](C[NH2+]C[C@H]2CCN(c3ccccc3)C2)C1 ZINC000638409113 430333539 /nfs/dbraw/zinc/33/35/39/430333539.db2.gz JDRPFTQHXDEFNG-QZTJIDSGSA-N 2 0 301.478 2.834 20 0 DFADRP CC(C)(C)O[C@@H]1C[C@H]([NH2+]C[C@H](O)C[NH+]2CCCCC2)C12CCC2 ZINC000638412358 430333866 /nfs/dbraw/zinc/33/38/66/430333866.db2.gz OETNEUMMQIKPJH-YESZJQIVSA-N 2 0 324.509 2.549 20 0 DFADRP CC[C@H]1C[C@H]([NH2+]Cc2cn(-c3cc[nH+]cc3)nc2C)CCO1 ZINC000582898830 430345202 /nfs/dbraw/zinc/34/52/02/430345202.db2.gz YDAOKRFQVKGKSO-WBVHZDCISA-N 2 0 300.406 2.623 20 0 DFADRP C[C@H](O)C[N@@H+](Cc1ccccc1)C[C@@H](C[NH3+])c1ccc(F)cc1 ZINC000582899478 430345797 /nfs/dbraw/zinc/34/57/97/430345797.db2.gz PHQXMHCGVAWRHN-MAUKXSAKSA-N 2 0 316.420 2.751 20 0 DFADRP C[C@@H]1C[N@@H+](Cc2cccc(N[C@@H]3CCC[C@H]3C[NH3+])c2)C[C@H](C)O1 ZINC000582899179 430346034 /nfs/dbraw/zinc/34/60/34/430346034.db2.gz BCHGIJJYKGBMQZ-JHDROBOHSA-N 2 0 317.477 2.835 20 0 DFADRP Cc1cn2ccc(C(=O)N3CC[C@H](C)[C@@H](n4ccnc4)C3)cc2n1 ZINC000635683400 430347599 /nfs/dbraw/zinc/34/75/99/430347599.db2.gz WRHCIFXVMBNQKW-BBRMVZONSA-N 2 0 323.400 2.563 20 0 DFADRP C[C@H](C[C@@H]1CCCC(=O)N1)[NH2+]C1CC[NH+](CC2CCCC2)CC1 ZINC000638454717 430348232 /nfs/dbraw/zinc/34/82/32/430348232.db2.gz NIYKXZBXTYSOMG-QAPCUYQASA-N 2 0 321.509 2.678 20 0 DFADRP CCOc1cccc([C@H](C)[NH2+]C2CC[NH+](CC(C)(C)O)CC2)c1 ZINC000638456552 430348244 /nfs/dbraw/zinc/34/82/44/430348244.db2.gz DBTVOYVEUDQRJH-HNNXBMFYSA-N 2 0 320.477 2.971 20 0 DFADRP C[C@H]1CCCC[N@@H+]1CCC1CCN(C(=O)CC[NH2+]C2CC2)CC1 ZINC000583640994 430414922 /nfs/dbraw/zinc/41/49/22/430414922.db2.gz ATSAEWGNYCZEFJ-INIZCTEOSA-N 2 0 321.509 2.632 20 0 DFADRP C[C@@H](NC(=O)CC[N@H+](C)C1CCCCC1)C(C)(C)C[NH+](C)C ZINC000547738197 430415811 /nfs/dbraw/zinc/41/58/11/430415811.db2.gz JDNNSZXKLXMPOF-OAHLLOKOSA-N 2 0 311.514 2.734 20 0 DFADRP CC(C)CC[NH+]1CCC(C[NH2+][C@@H](C)C[C@@H]2CCCC(=O)N2)CC1 ZINC000638722063 430416391 /nfs/dbraw/zinc/41/63/91/430416391.db2.gz OAQLHIOOWJFCLC-WMZOPIPTSA-N 2 0 323.525 2.781 20 0 DFADRP Cc1ccc(C[NH+]2CCCC2)cc1NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC000635713246 430355327 /nfs/dbraw/zinc/35/53/27/430355327.db2.gz ZVSTYEGVMZTUPV-QGZVFWFLSA-N 2 0 315.461 2.871 20 0 DFADRP C[NH2+][C@@H](C)c1cn(Cc2cccc(C[NH+]3CCCCC3)c2)nn1 ZINC000641179373 430355386 /nfs/dbraw/zinc/35/53/86/430355386.db2.gz JZPDHTAUPANLST-HNNXBMFYSA-N 2 0 313.449 2.593 20 0 DFADRP C[NH2+][C@H](C)c1cn(Cc2cccc(C[NH+]3CCCCC3)c2)nn1 ZINC000641179374 430355410 /nfs/dbraw/zinc/35/54/10/430355410.db2.gz JZPDHTAUPANLST-OAHLLOKOSA-N 2 0 313.449 2.593 20 0 DFADRP CCC[C@H](C[NH2+]C[C@@H]1CC[N@H+](CCc2ccccc2)C1)OC ZINC000638521308 430366288 /nfs/dbraw/zinc/36/62/88/430366288.db2.gz GKIJCECOKDENHP-RBUKOAKNSA-N 2 0 304.478 2.956 20 0 DFADRP CC(C)[C@H]1C[C@@H]([NH2+]Cc2ccncc2OCC[NH+](C)C)CS1 ZINC000568566750 430371744 /nfs/dbraw/zinc/37/17/44/430371744.db2.gz XGWQSGPASNJBDE-NVXWUHKLSA-N 2 0 323.506 2.642 20 0 DFADRP C[NH+](C)CCOc1ccc(CC[NH2+]CCC2CCOCC2)cc1 ZINC000638540144 430372361 /nfs/dbraw/zinc/37/23/61/430372361.db2.gz ZCQPDNBDAFQRSO-UHFFFAOYSA-N 2 0 320.477 2.576 20 0 DFADRP C[C@H](NC[C@@H](c1cccs1)[NH+]1CCCC1)[C@@H]1CCC[NH2+]C1 ZINC000568618667 430376174 /nfs/dbraw/zinc/37/61/74/430376174.db2.gz OKXBVZGTCJJOBA-XHSDSOJGSA-N 2 0 307.507 2.863 20 0 DFADRP C[C@@H](NC(=O)C[N@H+](C)CC(C)(C)C)[C@H]1CCC[NH+](C2CCC2)C1 ZINC000635787421 430376953 /nfs/dbraw/zinc/37/69/53/430376953.db2.gz MVQNVGYSKDVEBD-CVEARBPZSA-N 2 0 323.525 2.734 20 0 DFADRP CC[NH+](CC)CCCC1CCN(C(=O)C2(C[NH+](C)C)CC2)CC1 ZINC000635789115 430377439 /nfs/dbraw/zinc/37/74/39/430377439.db2.gz IEYDTXJSYRBPJV-UHFFFAOYSA-N 2 0 323.525 2.689 20 0 DFADRP C[C@H](C[NH2+][C@H]1CCN(C2CC[NH+](C)CC2)C1)C1CCCCC1 ZINC000638588789 430383144 /nfs/dbraw/zinc/38/31/44/430383144.db2.gz NRANZITZUDZQIQ-AEFFLSMTSA-N 2 0 307.526 2.961 20 0 DFADRP CC(C)(C[NH2+]CCCC[N@@H+]1CCC[C@@H]1CO)Oc1ccccc1 ZINC000638620514 430391890 /nfs/dbraw/zinc/39/18/90/430391890.db2.gz RWPFNVFCGZQZRX-QGZVFWFLSA-N 2 0 320.477 2.671 20 0 DFADRP CC(C)(O)C[NH+]1CCC([NH2+]Cc2coc3ccccc23)CC1 ZINC000638623194 430391969 /nfs/dbraw/zinc/39/19/69/430391969.db2.gz LLHMYMXQHDAENP-UHFFFAOYSA-N 2 0 302.418 2.758 20 0 DFADRP CC[NH+](CC)Cc1ccc(NC(=O)C[C@@H]2CC[N@H+](C)C2)cc1 ZINC000635850049 430393382 /nfs/dbraw/zinc/39/33/82/430393382.db2.gz TWFSOVZDZNAGDC-INIZCTEOSA-N 2 0 303.450 2.809 20 0 DFADRP CC[N@H+](C)C[C@@H]1CC[NH+](CC/C=C\c2cncc(OC)c2)C1 ZINC000583497165 430401754 /nfs/dbraw/zinc/40/17/54/430401754.db2.gz YAERBCNTOXRESZ-WVRJYTFGSA-N 2 0 303.450 2.767 20 0 DFADRP CCN(C[C@H]1CCC[N@@H+]1CC)C(=O)CC[C@H]1CCCC[NH+]1C ZINC000583518660 430403516 /nfs/dbraw/zinc/40/35/16/430403516.db2.gz GWNGPXVTFYZMPM-IAGOWNOFSA-N 2 0 309.498 2.584 20 0 DFADRP [NH3+][C@H]1CCCO[C@H]1C1CC[NH+](Cc2cnc(C3CC3)s2)CC1 ZINC000583552828 430406625 /nfs/dbraw/zinc/40/66/25/430406625.db2.gz WQRZEBUQIQBZIC-HOTGVXAUSA-N 2 0 321.490 2.739 20 0 DFADRP COc1nc2ccccc2cc1C[NH2+][C@@H]1CCn2ccnc2C1 ZINC000547967065 430433786 /nfs/dbraw/zinc/43/37/86/430433786.db2.gz ZOUPXVZHCSEPPV-OAHLLOKOSA-N 2 0 308.385 2.545 20 0 DFADRP CCC(CC)Nc1cc[nH+]cc1NC(=O)C[N@H+](CC)C1CC1 ZINC000569291726 430438988 /nfs/dbraw/zinc/43/89/88/430438988.db2.gz PLKWOIZQLOZFSC-UHFFFAOYSA-N 2 0 304.438 2.527 20 0 DFADRP CC[NH+]1CCC(N(C)C(=O)CC[N@H+](C)C2CCCCC2)CC1 ZINC000548060936 430443612 /nfs/dbraw/zinc/44/36/12/430443612.db2.gz OPQGQMCGXLYZND-UHFFFAOYSA-N 2 0 309.498 2.584 20 0 DFADRP c1cc(N2CCC(C[NH2+]CCC3CCOCC3)CC2)cc[nH+]1 ZINC000638837149 430450757 /nfs/dbraw/zinc/45/07/57/430450757.db2.gz PCRINXXNNHIBOL-UHFFFAOYSA-N 2 0 303.450 2.704 20 0 DFADRP Cc1cc(N[C@H](C)[C@H]2CN(Cc3ccccc3)CCO2)cc[nH+]1 ZINC000548153562 430451152 /nfs/dbraw/zinc/45/11/52/430451152.db2.gz AGYBOMPLEZKKKQ-VQIMIIECSA-N 2 0 311.429 2.513 20 0 DFADRP CN(C(=O)CC[C@H]([NH3+])CC1CCCCC1)[C@H]1C[NH+]2CCC1CC2 ZINC000638853443 430457144 /nfs/dbraw/zinc/45/71/44/430457144.db2.gz GSPJSOAENQANCW-ROUUACIJSA-N 2 0 321.509 2.617 20 0 DFADRP CC1([NH+]2CCCC2)CCN(C(=O)C[C@H]([NH3+])c2ccccc2)CC1 ZINC000638859142 430458267 /nfs/dbraw/zinc/45/82/67/430458267.db2.gz ITFLICBKJWYNBD-KRWDZBQOSA-N 2 0 315.461 2.553 20 0 DFADRP CC1([NH+]2CCCC2)CCN(C(=O)[C@H]2CCCCCC[C@@H]2[NH3+])CC1 ZINC000638859160 430458442 /nfs/dbraw/zinc/45/84/42/430458442.db2.gz JPSLXEMTXQWQNJ-IRXDYDNUSA-N 2 0 321.509 2.761 20 0 DFADRP CCC1([NH+]2CCCC2)CCN(C(=O)CC[C@H]2CCC[NH2+]C2)CC1 ZINC000638861646 430459832 /nfs/dbraw/zinc/45/98/32/430459832.db2.gz DCICXRJVORULRG-QGZVFWFLSA-N 2 0 321.509 2.633 20 0 DFADRP COc1cccc(N2CCC[C@H]([NH2+][C@@H]3CCC[C@H]([NH3+])C3)C2)c1 ZINC000584183161 430467450 /nfs/dbraw/zinc/46/74/50/430467450.db2.gz WRMJWSOMHYSXOB-XHSDSOJGSA-N 2 0 303.450 2.524 20 0 DFADRP CCn1cc(C[NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)c(-c2ccccc2)n1 ZINC000641770963 430468945 /nfs/dbraw/zinc/46/89/45/430468945.db2.gz ALHJISYUCLHPHA-RHNCMZPLSA-N 2 0 312.461 3.000 20 0 DFADRP CCC[N@H+](CC)Cc1ccc(C(=O)N2C[C@@H](C[NH3+])[C@H](C)C2)cc1 ZINC000638895204 430469685 /nfs/dbraw/zinc/46/96/85/430469685.db2.gz SQRNPBHEDIAZSU-CRAIPNDOSA-N 2 0 317.477 2.585 20 0 DFADRP CC1(C)[C@H]([NH3+])C[C@H]1[NH2+]Cc1ccc(OCc2ccccn2)cc1 ZINC000641802745 430476638 /nfs/dbraw/zinc/47/66/38/430476638.db2.gz OJCNNQSUZUSSJA-QZTJIDSGSA-N 2 0 311.429 2.876 20 0 DFADRP C[C@H]1Cc2ccccc2N1C1CC[NH+](CC[C@H]2CC[NH2+]C2)CC1 ZINC000641807063 430478745 /nfs/dbraw/zinc/47/87/45/430478745.db2.gz GRGWATFCQYEYSV-DLBZAZTESA-N 2 0 313.489 2.902 20 0 DFADRP CC(C)OCC[NH+]1CCC(NCc2cc(C3CC3)no2)CC1 ZINC000638729428 430420051 /nfs/dbraw/zinc/42/00/51/430420051.db2.gz PPGNUHXRYPLMIJ-UHFFFAOYSA-N 2 0 307.438 2.531 20 0 DFADRP CN1CC[NH+](CCCC[NH2+]Cc2sccc2Cl)CC1 ZINC000569178822 430427939 /nfs/dbraw/zinc/42/79/39/430427939.db2.gz NAIYFZLIGUTATN-UHFFFAOYSA-N 2 0 301.887 2.519 20 0 DFADRP CC[NH+]1CCN(CC(C)(C)[NH2+]Cc2ccc(F)cc2C)CC1 ZINC000569189943 430430487 /nfs/dbraw/zinc/43/04/87/430430487.db2.gz YAKANCHLQDZKCN-UHFFFAOYSA-N 2 0 307.457 2.640 20 0 DFADRP C[C@H]1COCCN1C1CC[NH+](Cc2ccc3c(c2)CCC3)CC1 ZINC000583850531 430433346 /nfs/dbraw/zinc/43/33/46/430433346.db2.gz WSGOIMIGANZAPU-INIZCTEOSA-N 2 0 314.473 2.860 20 0 DFADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+]Cc1cnc(-c2ccccc2)nc1 ZINC000569791243 430485493 /nfs/dbraw/zinc/48/54/93/430485493.db2.gz GKMWQPBAEXCWNQ-OQSMONGASA-N 2 0 308.429 2.749 20 0 DFADRP O=C(N[C@@H]1CC[N@@H+](C2CCCCC2)C1)[C@H]1CC[NH+]1C1CCCC1 ZINC000636203749 430486150 /nfs/dbraw/zinc/48/61/50/430486150.db2.gz YOVUEHAGFMKJQL-CRAIPNDOSA-N 2 0 319.493 2.527 20 0 DFADRP CCC1([NH+](C)C)CCN(C(=O)[C@H](C)[C@@H]([NH3+])c2ccccc2)CC1 ZINC000638975292 430486755 /nfs/dbraw/zinc/48/67/55/430486755.db2.gz JESNXUXTTLZLIC-NVXWUHKLSA-N 2 0 317.477 2.655 20 0 DFADRP CC(C)C[C@@H](C)CC(=O)Nc1cc(N2CC[NH2+]CC2)cc[nH+]1 ZINC000638986385 430488041 /nfs/dbraw/zinc/48/80/41/430488041.db2.gz MJDVQUTVLGTAMW-CQSZACIVSA-N 2 0 304.438 2.502 20 0 DFADRP CC[N@@H+]1CC[C@H](N(C)C(=O)CC[NH+](C)C2CCCCC2)[C@H](C)C1 ZINC000548716789 430494432 /nfs/dbraw/zinc/49/44/32/430494432.db2.gz GDESCYNXCJDBMO-AEFFLSMTSA-N 2 0 323.525 2.830 20 0 DFADRP CC[N@@H+]1CC[C@@H](N(C)C(=O)CC[NH+](C)C2CCCCC2)[C@H](C)C1 ZINC000548716791 430494567 /nfs/dbraw/zinc/49/45/67/430494567.db2.gz GDESCYNXCJDBMO-SJLPKXTDSA-N 2 0 323.525 2.830 20 0 DFADRP CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)C(C)(C)c2c[nH]cn2)C1 ZINC000548748191 430497865 /nfs/dbraw/zinc/49/78/65/430497865.db2.gz KTFKITQEGYKBLG-AWEZNQCLSA-N 2 0 320.481 2.704 20 0 DFADRP COc1cc(C[C@@H](C)[NH2+]CC[C@H](C)[NH+]2CCCCC2)ccn1 ZINC000639036904 430498007 /nfs/dbraw/zinc/49/80/07/430498007.db2.gz DLEJZJQCRLBCRJ-CVEARBPZSA-N 2 0 305.466 2.875 20 0 DFADRP CC[N@H+](C)C[C@H](O)C[NH+]1CCCC[C@@H]1CCc1ccccc1 ZINC000569937766 430499588 /nfs/dbraw/zinc/49/95/88/430499588.db2.gz NNHPYVCZRZTXOM-MOPGFXCFSA-N 2 0 304.478 2.786 20 0 DFADRP CCO[C@@H]1C[C@@H]([NH2+]CC[C@@H](C)[NH+]2CCCCC2)[C@]12CCCO2 ZINC000639037231 430499698 /nfs/dbraw/zinc/49/96/98/430499698.db2.gz HAZVEIFVRFFSRX-BRSBDYLESA-N 2 0 310.482 2.567 20 0 DFADRP CC[N@H+](CC[C@@H]1CCC[NH2+]C1)Cc1nc2ccccc2c(=O)[nH]1 ZINC000569950365 430501504 /nfs/dbraw/zinc/50/15/04/430501504.db2.gz MPOCDVQBEBUDRL-AWEZNQCLSA-N 2 0 314.433 2.547 20 0 DFADRP CC(C)(O)C[NH+]1CCC([NH2+]Cc2ccc(C(F)F)cc2)CC1 ZINC000639050979 430502795 /nfs/dbraw/zinc/50/27/95/430502795.db2.gz BIGQBAGMZFIGLN-UHFFFAOYSA-N 2 0 312.404 2.949 20 0 DFADRP CC[NH+](CC)CCO[C@H]1CC[N@H+](C[C@H]2CCC3(CCCC3)O2)C1 ZINC000548918374 430510048 /nfs/dbraw/zinc/51/00/48/430510048.db2.gz PRKPXAROWRTJRG-ZWKOTPCHSA-N 2 0 324.509 2.911 20 0 DFADRP CC[C@@](C)(C[N@@H+]1CC[C@H](CN(C)Cc2cccnc2)C1)OC ZINC000639079533 430513980 /nfs/dbraw/zinc/51/39/80/430513980.db2.gz FTTCZTXONREICN-MSOLQXFVSA-N 2 0 305.466 2.650 20 0 DFADRP CC(C)[C@H](CC(F)(F)F)[NH2+]C1CC[NH+](CC(C)(C)O)CC1 ZINC000639088281 430518824 /nfs/dbraw/zinc/51/88/24/430518824.db2.gz FMLVOAPGZLEDOZ-ZDUSSCGKSA-N 2 0 310.404 2.788 20 0 DFADRP C[C@H]1C[C@@H]([NH3+])CC[N@@H+]1CCc1nc(-c2ccc(Cl)cc2)no1 ZINC000570174116 430519985 /nfs/dbraw/zinc/51/99/85/430519985.db2.gz YGGFYYWEXQFSAS-FZMZJTMJSA-N 2 0 320.824 2.744 20 0 DFADRP c1[nH]c2ncccc2c1CC[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000570259876 430526676 /nfs/dbraw/zinc/52/66/76/430526676.db2.gz MEAXBWCTVIPGKD-UHFFFAOYSA-N 2 0 321.428 2.759 20 0 DFADRP c1ccc(N2CC[C@@H](C[NH2+]CC3CC[NH+](C4CC4)CC3)C2)cc1 ZINC000639108989 430527773 /nfs/dbraw/zinc/52/77/73/430527773.db2.gz OKKMBMLZULTPSL-SFHVURJKSA-N 2 0 313.489 2.977 20 0 DFADRP Cc1nc2ccccc2nc1C[NH2+]CC1CC[NH+](C2CC2)CC1 ZINC000639108486 430527964 /nfs/dbraw/zinc/52/79/64/430527964.db2.gz JTUVUOBHQANEOK-UHFFFAOYSA-N 2 0 310.445 2.902 20 0 DFADRP C[N@@H+]1CCCC[C@H]1C(=O)N1CCC[NH+](CC2CCCCC2)CC1 ZINC000599314580 430529436 /nfs/dbraw/zinc/52/94/36/430529436.db2.gz IADCBGUCSVKTOB-SFHVURJKSA-N 2 0 321.509 2.585 20 0 DFADRP c1cnn(C2CC([NH2+]C[C@H]3CC[N@H+](Cc4ccccc4)C3)C2)c1 ZINC000639117263 430530551 /nfs/dbraw/zinc/53/05/51/430530551.db2.gz FECNKSBBHRLSJH-LMDPOFIKSA-N 2 0 310.445 2.698 20 0 DFADRP C[C@@H]1C[N@H+](CCC[NH2+]CC(C)(C)Oc2ccccc2)CCCO1 ZINC000639115371 430530795 /nfs/dbraw/zinc/53/07/95/430530795.db2.gz BWULYPFNTLDIHT-QGZVFWFLSA-N 2 0 320.477 2.935 20 0 DFADRP Cc1ccnc([C@@H](C)Nc2c[nH+]ccc2N2CC[NH+](C)CC2)c1 ZINC000570301884 430531504 /nfs/dbraw/zinc/53/15/04/430531504.db2.gz OWASLUOCXYOVQO-OAHLLOKOSA-N 2 0 311.433 2.710 20 0 DFADRP C[N@@H+]1CCN(CC[NH2+]C[C@@]2(C)C[C@@H]2c2ccccc2)CC1(C)C ZINC000639135589 430538888 /nfs/dbraw/zinc/53/88/88/430538888.db2.gz FHLIYSPHNWRYPE-UYAOXDASSA-N 2 0 315.505 2.796 20 0 DFADRP O=C(CCN[C@@H]1CC[N@@H+]2CCCC[C@@H]12)Nc1cccc(Cl)c1 ZINC000570391238 430538924 /nfs/dbraw/zinc/53/89/24/430538924.db2.gz PLHSMIZOOAFJEG-CVEARBPZSA-N 2 0 321.852 2.885 20 0 DFADRP O=C1CC[C@@H]([NH2+]Cc2cnc3n2CCCC3)c2ccccc2N1 ZINC000551574672 430558001 /nfs/dbraw/zinc/55/80/01/430558001.db2.gz MKZCRDVCCGMAOU-OAHLLOKOSA-N 2 0 310.401 2.783 20 0 DFADRP C[C@H]([NH2+]Cc1ccncc1OCCC[NH+](C)C)[C@@H]1CC1(F)F ZINC000639185145 430562594 /nfs/dbraw/zinc/56/25/94/430562594.db2.gz HGQIBVFLONKPQS-JSGCOSHPSA-N 2 0 313.392 2.545 20 0 DFADRP CC[C@H](C)[C@H](C[N@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2CCOC)OC ZINC000639209963 430571987 /nfs/dbraw/zinc/57/19/87/430571987.db2.gz BVHXGFYEPPWCAX-AQDBYXPISA-N 2 0 312.498 2.621 20 0 DFADRP CC[C@@H](C)[C@@H](C[N@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2CCOC)OC ZINC000639209964 430572908 /nfs/dbraw/zinc/57/29/08/430572908.db2.gz BVHXGFYEPPWCAX-FNNOIMFVSA-N 2 0 312.498 2.621 20 0 DFADRP C[NH+]1CCC(N2CC[C@@H]([NH2+]C3CC4(C3)CCCCC4)C2)CC1 ZINC000643289068 430574399 /nfs/dbraw/zinc/57/43/99/430574399.db2.gz UHAYHQONBARYHC-MRXNPFEDSA-N 2 0 305.510 2.857 20 0 DFADRP C[NH+]1CCN(c2cc[nH+]cc2NCc2cc3cccnc3o2)CC1 ZINC000570787020 430576253 /nfs/dbraw/zinc/57/62/53/430576253.db2.gz NTYBQVIVGAPBAZ-UHFFFAOYSA-N 2 0 323.400 2.587 20 0 DFADRP CN(C[C@@H](O)C[NH2+][C@@H]1CCC(C)(C)c2ccccc21)C1CC1 ZINC000570794234 430576458 /nfs/dbraw/zinc/57/64/58/430576458.db2.gz CUDHMLUGHCOQSX-MAUKXSAKSA-N 2 0 302.462 2.844 20 0 DFADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]C[C@H]1CCN(c2ccc(F)c(F)c2)C1 ZINC000643453211 430602576 /nfs/dbraw/zinc/60/25/76/430602576.db2.gz OXZKIMLVGRIBLE-LBTNJELSSA-N 2 0 323.431 2.769 20 0 DFADRP Cc1ccc(F)c(CC[NH2+]C2CC[NH+](CC(C)(C)O)CC2)c1 ZINC000639233878 430581150 /nfs/dbraw/zinc/58/11/50/430581150.db2.gz XCEZXLZUCYQZSK-UHFFFAOYSA-N 2 0 308.441 2.502 20 0 DFADRP CC[N@H+](Cc1ccc(C(=O)N2CC[C@@H]([NH3+])C[C@H]2C)cc1)C(C)C ZINC000570938325 430591775 /nfs/dbraw/zinc/59/17/75/430591775.db2.gz VPGNHBUCYCDXBD-CRAIPNDOSA-N 2 0 317.477 2.869 20 0 DFADRP C[C@H]([NH2+]CC1(O)CC[NH+](Cc2ccccc2)CC1)[C@H]1CC1(F)F ZINC000639264502 430592955 /nfs/dbraw/zinc/59/29/55/430592955.db2.gz FEOMLTSIVXDRFU-GOEBONIOSA-N 2 0 324.415 2.647 20 0 DFADRP COc1ccc2[nH]cc(CC[NH2+][C@H]3CCCCC[C@@H]3[NH3+])c2c1 ZINC000643453985 430602244 /nfs/dbraw/zinc/60/22/44/430602244.db2.gz QSXDAWQFLZSNTA-WMZOPIPTSA-N 2 0 301.434 2.969 20 0 DFADRP Cc1cccc(CN(CC[NH+](C)C)C(=O)CCCC[NH+](C)C)c1 ZINC000552370199 430594983 /nfs/dbraw/zinc/59/49/83/430594983.db2.gz WAPVEZVOOHDQFY-UHFFFAOYSA-N 2 0 319.493 2.617 20 0 DFADRP CC(C)CC[C@H](O)C[NH2+]C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000571040294 430598740 /nfs/dbraw/zinc/59/87/40/430598740.db2.gz AADNJACWYHGNJR-OALUTQOASA-N 2 0 304.478 2.895 20 0 DFADRP C[NH+]1CCC2(CC1)C[N@H+](Cc1cccc3ncccc13)CCO2 ZINC000639289091 430599759 /nfs/dbraw/zinc/59/97/59/430599759.db2.gz WFSDODDOICNNJZ-UHFFFAOYSA-N 2 0 311.429 2.531 20 0 DFADRP c1c(C[NH2+]CC2CC[NH+](C3CCOCC3)CC2)onc1C1CC1 ZINC000639302400 430602491 /nfs/dbraw/zinc/60/24/91/430602491.db2.gz FENOZTAVYCHWOV-UHFFFAOYSA-N 2 0 319.449 2.533 20 0 DFADRP CC(C)Oc1ccc2[nH+]ccc(N3CCO[C@H]([C@@H](C)[NH3+])C3)c2c1 ZINC000643018373 430542384 /nfs/dbraw/zinc/54/23/84/430542384.db2.gz ZXRUNXJVQHYGCJ-ACJLOTCBSA-N 2 0 315.417 2.574 20 0 DFADRP C[C@@H]1C[C@H](C)C[N@@H+](CCC[NH2+][C@H]2COc3ccccc3C2)C1 ZINC000550621514 430542660 /nfs/dbraw/zinc/54/26/60/430542660.db2.gz DFDANSCZLPWYFQ-SOLBZPMBSA-N 2 0 302.462 2.948 20 0 DFADRP COc1ccc(COCCN2CCCC[C@@H]2[C@@H]2CCC[NH2+]2)cc1 ZINC000643061672 430546534 /nfs/dbraw/zinc/54/65/34/430546534.db2.gz FEIXCSXSUHCFSY-RBUKOAKNSA-N 2 0 318.461 2.818 20 0 DFADRP OC1CC[NH+](Cc2ccc(C[NH2+][C@@H]3CCC[C@H]4C[C@H]43)cc2)CC1 ZINC000554724803 430650266 /nfs/dbraw/zinc/65/02/66/430650266.db2.gz TVWNDCBAPTYDBI-DFQSSKMNSA-N 2 0 314.473 2.922 20 0 DFADRP O=c1cc(C[N@@H+]2CCC[C@H](C[NH+]3CCCCCC3)C2)cc[nH]1 ZINC000639474663 430650368 /nfs/dbraw/zinc/65/03/68/430650368.db2.gz QHTFQFJZXQKAIW-QGZVFWFLSA-N 2 0 303.450 2.875 20 0 DFADRP Cc1ccnc(NC[C@H]2CC[N@H+](C[C@@H]3CC(C)(C)CO3)C2)c1 ZINC000639483274 430651027 /nfs/dbraw/zinc/65/10/27/430651027.db2.gz RRADAYVMERISTM-CVEARBPZSA-N 2 0 303.450 2.939 20 0 DFADRP C[C@@H]1OCC[C@@H]1C[N@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000639504005 430658037 /nfs/dbraw/zinc/65/80/37/430658037.db2.gz OVYKJEDHHZCDNS-QXAKKESOSA-N 2 0 302.462 2.865 20 0 DFADRP C[C@H](C[C@@H]1CCOC1)[NH2+][C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000643462038 430603882 /nfs/dbraw/zinc/60/38/82/430603882.db2.gz ZXXRAWFZVZJWAC-WXSAJPJJSA-N 2 0 316.445 2.647 20 0 DFADRP FC(F)CN1CCC([NH2+][C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)CC1 ZINC000643460011 430604032 /nfs/dbraw/zinc/60/40/32/430604032.db2.gz HMPBMXUFKVYJOV-BZUAXINKSA-N 2 0 315.452 2.616 20 0 DFADRP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+][C@H]1CCN(C(=O)C2CCCC2)C1 ZINC000643463208 430604056 /nfs/dbraw/zinc/60/40/56/430604056.db2.gz KWUOUVZVCLWBAC-NXHRZFHOSA-N 2 0 321.509 2.678 20 0 DFADRP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+][C@H]1CCN(c2ccc(F)cc2F)C1 ZINC000643462974 430604360 /nfs/dbraw/zinc/60/43/60/430604360.db2.gz VCQTTYUKCQZEIU-IMJJTQAJSA-N 2 0 309.404 2.793 20 0 DFADRP COC[C@H](CCC[NH3+])[NH2+]Cc1ccnc(Oc2ccccc2)c1 ZINC000643459805 430604682 /nfs/dbraw/zinc/60/46/82/430604682.db2.gz MJYADBTVRSMURF-INIZCTEOSA-N 2 0 315.417 2.717 20 0 DFADRP CO[C@@H](C[NH2+]CC1CC[NH+](Cc2ccncc2)CC1)CC(C)C ZINC000639311555 430605826 /nfs/dbraw/zinc/60/58/26/430605826.db2.gz NQNIXETVRNMSCG-LJQANCHMSA-N 2 0 319.493 2.944 20 0 DFADRP C[C@H]([NH2+]Cc1cccc(COCc2ccco2)c1)C1C[NH2+]C1 ZINC000643471855 430606099 /nfs/dbraw/zinc/60/60/99/430606099.db2.gz LWKVSDGWHIRTEQ-AWEZNQCLSA-N 2 0 300.402 2.694 20 0 DFADRP CCOc1ccc2c(c1)[C@H]([NH2+][C@@H]1CC[NH2+]CC[C@@H]1C)CCO2 ZINC000643482485 430607759 /nfs/dbraw/zinc/60/77/59/430607759.db2.gz RGPJBDSLGSFHQA-IAOVAPTHSA-N 2 0 304.434 2.887 20 0 DFADRP [NH3+]CCC[NH2+][C@@H](c1ccc(Br)cc1)[C@H]1CCCO1 ZINC000643496707 430608243 /nfs/dbraw/zinc/60/82/43/430608243.db2.gz MQABGKQVCBBBGU-KGLIPLIRSA-N 2 0 313.239 2.608 20 0 DFADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+][C@@H]1CCO[C@@H](c2nccn2C)C1 ZINC000643493630 430608745 /nfs/dbraw/zinc/60/87/45/430608745.db2.gz ZLBIEZSHJSTURP-YYIAUSFCSA-N 2 0 320.481 2.541 20 0 DFADRP C[C@H](N[C@@H]1CC[N@H+](Cc2ccccc2)[C@H]1C)[C@@H]1CCC[NH2+]C1 ZINC000643489596 430608945 /nfs/dbraw/zinc/60/89/45/430608945.db2.gz UEZKGXNONWRERA-RNIPGJKVSA-N 2 0 301.478 2.627 20 0 DFADRP c1ccc(C[N@H+]2C[C@@H]3CCC[C@@H](NCC[NH2+]C4CC4)[C@H]3C2)cc1 ZINC000643507517 430611588 /nfs/dbraw/zinc/61/15/88/430611588.db2.gz HBLFZTJBEOUJHF-YSIASYRMSA-N 2 0 313.489 2.629 20 0 DFADRP CC[C@@H]([NH2+][C@@H]1CC12CC[NH2+]CC2)c1ccc(OC)c(OC)c1 ZINC000643534027 430612709 /nfs/dbraw/zinc/61/27/09/430612709.db2.gz JWRRKBMMQQNYSV-RHSMWYFYSA-N 2 0 304.434 2.887 20 0 DFADRP C[C@@H]1CN(Cc2ccccc2)CC[C@H]1[NH2+][C@H]1CC12CC[NH2+]CC2 ZINC000643533963 430612842 /nfs/dbraw/zinc/61/28/42/430612842.db2.gz ISVLBZMIJFJDDL-QRQLOZEOSA-N 3 0 313.489 2.629 20 0 DFADRP [NH3+]C[C@H]1CC[C@H](C[NH2+][C@@H](c2nnc[nH]2)C2CCCCC2)CC1 ZINC000643532488 430613026 /nfs/dbraw/zinc/61/30/26/430613026.db2.gz KUVNMDFCPKOAQY-IIAWOOMASA-N 2 0 305.470 2.781 20 0 DFADRP C[C@@H]1[C@@H]([NH2+][C@H]2CCC[NH2+]CC2)CCCN1Cc1ccccc1 ZINC000643522582 430613217 /nfs/dbraw/zinc/61/32/17/430613217.db2.gz POKRBXIIBNWUCY-NEWSRXKRSA-N 2 0 301.478 2.771 20 0 DFADRP C[C@@H]1CN(Cc2ccccc2)CC[C@H]1[NH2+][C@@H]1CC12CC[NH2+]CC2 ZINC000643533960 430613589 /nfs/dbraw/zinc/61/35/89/430613589.db2.gz ISVLBZMIJFJDDL-BHIYHBOVSA-N 3 0 313.489 2.629 20 0 DFADRP Cc1n[nH]cc1[C@H](C)[NH2+]C[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC000643541222 430614355 /nfs/dbraw/zinc/61/43/55/430614355.db2.gz UZYITUPFVABQGH-YLQAJVPDSA-N 2 0 316.424 2.901 20 0 DFADRP COc1cc2c(cc1OC)[C@H]([NH2+][C@@H]1CC[NH2+]C3(CCC3)C1)CC2 ZINC000643548607 430615761 /nfs/dbraw/zinc/61/57/61/430615761.db2.gz RVLHBTWEWSHFQD-GDBMZVCRSA-N 2 0 316.445 2.955 20 0 DFADRP C[C@@H](CC(=O)Nc1ccccc1)[NH2+][C@H]1CC[NH2+]C2(CCC2)C1 ZINC000643545680 430615975 /nfs/dbraw/zinc/61/59/75/430615975.db2.gz AHUFSTHRIIETSU-HOCLYGCPSA-N 2 0 301.434 2.668 20 0 DFADRP COc1cc2c(cc1OC)[C@H]([NH2+][C@H]1CC[NH2+]C3(CCC3)C1)CC2 ZINC000643548608 430616043 /nfs/dbraw/zinc/61/60/43/430616043.db2.gz RVLHBTWEWSHFQD-GOEBONIOSA-N 2 0 316.445 2.955 20 0 DFADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C[NH2+]CC[C@@H]1CCOC1 ZINC000639359289 430620617 /nfs/dbraw/zinc/62/06/17/430620617.db2.gz KHVJXVREHPLMRM-QRQLOZEOSA-N 2 0 302.462 2.771 20 0 DFADRP [NH3+][C@@H]1CCC[C@@H]([NH2+][C@@H]2CCCN(Cc3c(F)cccc3F)C2)C1 ZINC000571344557 430621422 /nfs/dbraw/zinc/62/14/22/430621422.db2.gz UISNMZDMJSCIGT-RBSFLKMASA-N 2 0 323.431 2.789 20 0 DFADRP [NH3+][C@@H]1CCC[C@H]([NH2+][C@@H]2CCCN(Cc3c(F)cccc3F)C2)C1 ZINC000571344555 430622291 /nfs/dbraw/zinc/62/22/91/430622291.db2.gz UISNMZDMJSCIGT-QLFBSQMISA-N 2 0 323.431 2.789 20 0 DFADRP C[C@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)CC[N@H+](C)C1CCCCC1 ZINC000553777261 430622462 /nfs/dbraw/zinc/62/24/62/430622462.db2.gz YVZJCJPJYYDQBO-FUHWJXTLSA-N 2 0 321.509 2.726 20 0 DFADRP Cc1ccc(C[NH2+][C@@H]2CCC[C@@H]2N2CC[C@@H](O)C2)cc1Cl ZINC000639371051 430623397 /nfs/dbraw/zinc/62/33/97/430623397.db2.gz FQNSDCFTAPLYGZ-OIISXLGYSA-N 2 0 308.853 2.726 20 0 DFADRP CC(C)(C)NC(=O)C[NH+]1CCC(C[NH2+]C2CCCCCC2)CC1 ZINC000553856494 430624584 /nfs/dbraw/zinc/62/45/84/430624584.db2.gz ANLXDCLZMKCIHA-UHFFFAOYSA-N 2 0 323.525 2.926 20 0 DFADRP C[C@@H](C[NH2+][C@@H]1CCC[C@@H]1N1CC[C@@H](O)C1)c1cc(F)cc(F)c1 ZINC000639373664 430625055 /nfs/dbraw/zinc/62/50/55/430625055.db2.gz SQJZUZFAOMFDBC-XKDXWZMYSA-N 2 0 324.415 2.646 20 0 DFADRP C[C@@H](CCCC(F)(F)F)[NH2+][C@@H]1CCC[C@@H]1N1CC[C@@H](O)C1 ZINC000639373254 430625118 /nfs/dbraw/zinc/62/51/18/430625118.db2.gz PEUAAIJVALJOKC-DGAVXFQQSA-N 2 0 308.388 2.685 20 0 DFADRP CC(C)[C@H](CO)C[NH2+][C@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000554085284 430628191 /nfs/dbraw/zinc/62/81/91/430628191.db2.gz FUTXDZJHISTAFF-QRQLOZEOSA-N 2 0 304.478 2.751 20 0 DFADRP COC[C@H](C)C[N@@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000571448222 430628673 /nfs/dbraw/zinc/62/86/73/430628673.db2.gz XKUDGRBWYWSKGZ-MJGOQNOKSA-N 2 0 302.462 2.867 20 0 DFADRP Cc1c(Cl)cccc1NC(=O)CC[NH2+][C@H]1CC[NH2+]CC[C@H]1C ZINC000571514208 430632733 /nfs/dbraw/zinc/63/27/33/430632733.db2.gz AEBPMFVEQXSSQZ-DOMZBBRYSA-N 2 0 323.868 2.955 20 0 DFADRP C[C@H]1CC2(C[N@@H+]1Cc1nc3c(s1)CCCC3)CC[NH2+]CC2 ZINC000643973764 430646543 /nfs/dbraw/zinc/64/65/43/430646543.db2.gz HHVIMDGUWNCPSR-ZDUSSCGKSA-N 2 0 305.491 2.986 20 0 DFADRP O=c1cc(C[NH+]2CCC(CCC[NH+]3CCCC3)CC2)cc[nH]1 ZINC000639547955 430668153 /nfs/dbraw/zinc/66/81/53/430668153.db2.gz ZJORCVDEDFRMIE-UHFFFAOYSA-N 2 0 303.450 2.875 20 0 DFADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1cc[nH]c(=O)c1 ZINC000639589034 430677660 /nfs/dbraw/zinc/67/76/60/430677660.db2.gz IKYWQAYSAAJNFV-QAPCUYQASA-N 2 0 311.429 2.787 20 0 DFADRP CCOc1ccc(Cl)cc1[C@@H](C)[NH2+]CCOCC[NH+](C)C ZINC000556077984 430678087 /nfs/dbraw/zinc/67/80/87/430678087.db2.gz BFQOXGKQKRNWNE-CYBMUJFWSA-N 2 0 314.857 2.968 20 0 DFADRP C[C@H]1CCCC[N@@H+]1CCC1CCN(C(=O)C[C@@H]2CCC[NH2+]2)CC1 ZINC000572247257 430678414 /nfs/dbraw/zinc/67/84/14/430678414.db2.gz ZZSFQCGRCNWLBB-WMZOPIPTSA-N 2 0 321.509 2.632 20 0 DFADRP C[C@@H](NC(=O)[C@H](C)N1CCC[C@@H]([NH+](C)C)CC1)c1ccccc1 ZINC000639613755 430681386 /nfs/dbraw/zinc/68/13/86/430681386.db2.gz WAEJITYEYNYLBF-SOLBZPMBSA-N 2 0 317.477 2.668 20 0 DFADRP CSCC[NH+]1CCCC2(CCC[N@@H+](CCSC)C2)C1 ZINC000368073215 278130121 /nfs/dbraw/zinc/13/01/21/278130121.db2.gz KOWCUHLGDOPETL-UHFFFAOYSA-N 2 0 302.553 2.890 20 0 DFADRP C[C@@H]1CN(Cc2ccccn2)CC[C@@H]1[NH2+]CCOCC1CCC1 ZINC000572571968 430690687 /nfs/dbraw/zinc/69/06/87/430690687.db2.gz GSYVCFQWPJOLOS-APWZRJJASA-N 2 0 317.477 2.698 20 0 DFADRP C[N@@H+]1CC[C@H](C(=O)Nc2cccc(-c3ncc4n3CCCC4)c2)C1 ZINC000556754431 430691806 /nfs/dbraw/zinc/69/18/06/430691806.db2.gz QHYJGLHRJFTLCL-HNNXBMFYSA-N 2 0 324.428 2.777 20 0 DFADRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+][C@H](C)c1cccc(F)c1F ZINC000186600082 278172316 /nfs/dbraw/zinc/17/23/16/278172316.db2.gz NJZAJKPZNZRPNY-ZIAGYGMSSA-N 2 0 311.420 2.641 20 0 DFADRP C[C@@H](C(=O)NCc1ccccc1C[N@@H+]1CCCC[C@H]1C)[C@H](C)[NH3+] ZINC000249070574 278209229 /nfs/dbraw/zinc/20/92/29/278209229.db2.gz QHELQHLETSKYQJ-OAGGEKHMSA-N 2 0 317.477 2.661 20 0 DFADRP C[C@H](C[NH2+][C@H]1CCO[C@@H](C(F)(F)F)C1)C[NH+]1CCCCC1 ZINC000315598339 278210997 /nfs/dbraw/zinc/21/09/97/278210997.db2.gz PEKSFNXCSRAJLK-HZSPNIEDSA-N 2 0 308.388 2.808 20 0 DFADRP Cc1ccc(C[NH2+]C2CCC([NH3+])CC2)c(O[C@H]2CCOC2)c1 ZINC000572630442 430693207 /nfs/dbraw/zinc/69/32/07/430693207.db2.gz RHUKSALOFSNRAW-JCYILVPMSA-N 2 0 304.434 2.522 20 0 DFADRP CC(C)(C[NH2+][C@H]1CCC[C@H]([NH3+])C1)c1ccc2c(c1)OCCO2 ZINC000572662482 430693977 /nfs/dbraw/zinc/69/39/77/430693977.db2.gz NSMAZHVIQNZDRL-GJZGRUSLSA-N 2 0 304.434 2.595 20 0 DFADRP C[N@@H+]1CC[C@@H](Nc2cc(NC3CC3)ncn2)[C@H]1c1ccccc1 ZINC000556839869 430694204 /nfs/dbraw/zinc/69/42/04/430694204.db2.gz ZBQLWVXOZKPKOA-CRAIPNDOSA-N 2 0 309.417 2.908 20 0 DFADRP C[C@@H](C[NH2+]C1CCN(CC(F)(F)F)CC1)C[NH+]1CCCCC1 ZINC000237334156 278282909 /nfs/dbraw/zinc/28/29/09/278282909.db2.gz ATMJAJCHZKKJRP-AWEZNQCLSA-N 2 0 321.431 2.725 20 0 DFADRP CC(C)[N@H+](C)Cc1ccccc1CNC(=O)CCCC[NH+](C)C ZINC000556937192 430696687 /nfs/dbraw/zinc/69/66/87/430696687.db2.gz KNIGJLDOADMGDQ-UHFFFAOYSA-N 2 0 319.493 2.875 20 0 DFADRP c1c2c(cc3c1OCCC[C@H]3[NH2+]CC1CC[NH2+]CC1)CCC2 ZINC000572832650 430697254 /nfs/dbraw/zinc/69/72/54/430697254.db2.gz UVPOZCDKIGMQLT-GOSISDBHSA-N 2 0 300.446 2.978 20 0 DFADRP [NH3+]C[C@@H]1C[N@H+](Cc2ccc3c(c2)C[NH2+]CC3)C[C@H]1c1ccccc1 ZINC000572888118 430698052 /nfs/dbraw/zinc/69/80/52/430698052.db2.gz JQTUVQVIUSDFHO-RTWAWAEBSA-N 3 0 321.468 2.507 20 0 DFADRP C[C@H]([NH2+]CCCOc1cccc2cccnc21)[C@@H]1CCC[NH2+]C1 ZINC000572951421 430698424 /nfs/dbraw/zinc/69/84/24/430698424.db2.gz QHOJPGJQLCDNPR-DOTOQJQBSA-N 2 0 313.445 2.981 20 0 DFADRP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)Cc2cc(Cl)cs2)CC1 ZINC000194385720 278395439 /nfs/dbraw/zinc/39/54/39/278395439.db2.gz CSJFLMPYQLKCJZ-GFCCVEGCSA-N 2 0 316.898 2.926 20 0 DFADRP Cc1ccc2ccnc(N3CCC([N@@H+]4CC[C@@H](O)C4)CC3)c2c1 ZINC000664598499 430703075 /nfs/dbraw/zinc/70/30/75/430703075.db2.gz VJTOXWNCRSHYMN-QGZVFWFLSA-N 2 0 311.429 2.579 20 0 DFADRP Fc1ccc(/C=C\C[NH2+]C2CCN([C@H]3CCOC3)CC2)cc1F ZINC000657753184 430725405 /nfs/dbraw/zinc/72/54/05/430725405.db2.gz VEIIRENVLBZZCC-AIMAZDRCSA-N 2 0 322.399 2.821 20 0 DFADRP C[C@H](Cc1cnccn1)[NH2+]C[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000651210931 430737260 /nfs/dbraw/zinc/73/72/60/430737260.db2.gz ADTDTWGWXDDDHF-MJGOQNOKSA-N 2 0 324.472 2.909 20 0 DFADRP Cc1c(F)cccc1NC(=O)CC[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000644524133 430744108 /nfs/dbraw/zinc/74/41/08/430744108.db2.gz VVPFIWCDBHKBHG-GJZGRUSLSA-N 2 0 319.424 2.679 20 0 DFADRP C[C@@H]1CCCC[C@@H]1[NH2+]CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000176042050 278466142 /nfs/dbraw/zinc/46/61/42/278466142.db2.gz UTYVVQKTHSEEFR-NJAFHUGGSA-N 2 0 317.477 2.574 20 0 DFADRP CC[C@@H]1C[C@H]([NH2+]Cc2cccc(OCC[NH+](C)C)c2)CCO1 ZINC000648427719 430783284 /nfs/dbraw/zinc/78/32/84/430783284.db2.gz TUDYAEPSMOMTLW-IAGOWNOFSA-N 2 0 306.450 2.674 20 0 DFADRP Cc1cccc(CC[NH2+]C[C@@H](O)CN(C)Cc2ccccc2)c1 ZINC000644533527 430746363 /nfs/dbraw/zinc/74/63/63/430746363.db2.gz FCMLGAIGLOLGCX-HXUWFJFHSA-N 2 0 312.457 2.620 20 0 DFADRP COC[C@H](CC1CCOCC1)[NH2+]CCC[NH+]1CCC(C)CC1 ZINC000657824679 430746321 /nfs/dbraw/zinc/74/63/21/430746321.db2.gz SSUIJYYDYHCQHE-SFHVURJKSA-N 2 0 312.498 2.530 20 0 DFADRP COCC[N@H+](C)CCC[NH2+][C@H](C)c1cc2ccncc2s1 ZINC000657833324 430747729 /nfs/dbraw/zinc/74/77/29/430747729.db2.gz JCZOQRLGTOWMKF-CYBMUJFWSA-N 2 0 307.463 2.915 20 0 DFADRP C[NH+](C)CCOc1ccc(C[NH2+]C2CC(CF)(CF)C2)cc1 ZINC000657841288 430751235 /nfs/dbraw/zinc/75/12/35/430751235.db2.gz ORCLBRTUSNYWQG-UHFFFAOYSA-N 2 0 312.404 2.804 20 0 DFADRP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@H]2[C@@H]3CCC[C@@H]3C2(C)C)CC1 ZINC000657870846 430756447 /nfs/dbraw/zinc/75/64/47/430756447.db2.gz QUBZDBIMWMHTMC-BDXSIMOUSA-N 2 0 307.526 2.674 20 0 DFADRP C[C@H]([NH2+]CCCN1CCC[N@H+](C)CC1)c1cc2cnccc2o1 ZINC000657873261 430758944 /nfs/dbraw/zinc/75/89/44/430758944.db2.gz RUFVTFORQAPTES-HNNXBMFYSA-N 2 0 316.449 2.506 20 0 DFADRP C[C@@H]1C[N@@H+](CCCC[NH2+][C@@H]2CCCSCC2)C[C@H](C)O1 ZINC000657918548 430766738 /nfs/dbraw/zinc/76/67/38/430766738.db2.gz DXIYIGPEVWMOEZ-OWCLPIDISA-N 2 0 300.512 2.751 20 0 DFADRP Cn1ncc2c1CC(C)(C)CN(CC[C@H]1CCCC[N@@H+]1C)C2 ZINC000664871568 430768626 /nfs/dbraw/zinc/76/86/26/430768626.db2.gz BOPVGTPJOXHZJD-MRXNPFEDSA-N 2 0 304.482 2.679 20 0 DFADRP C[C@@H](CN(C)CCC[NH+](C)C)[NH2+][C@@H]1CCc2c1cccc2F ZINC000658108585 430814638 /nfs/dbraw/zinc/81/46/38/430814638.db2.gz OFXGBYWVUYYWSV-KBXCAEBGSA-N 2 0 307.457 2.675 20 0 DFADRP C[C@@H]([NH2+]Cc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1)c1ccoc1 ZINC000658136118 430820041 /nfs/dbraw/zinc/82/00/41/430820041.db2.gz BQSMKLDTZIAQDN-KDOFPFPSSA-N 2 0 300.402 2.697 20 0 DFADRP C[C@H]([NH2+]Cc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1)c1ccoc1 ZINC000658136119 430820625 /nfs/dbraw/zinc/82/06/25/430820625.db2.gz BQSMKLDTZIAQDN-KSSFIOAISA-N 2 0 300.402 2.697 20 0 DFADRP CCCC[C@@H](COC)[NH2+]Cc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1 ZINC000658138565 430824000 /nfs/dbraw/zinc/82/40/00/430824000.db2.gz JJWAYDRCSTURHE-RBUKOAKNSA-N 2 0 320.477 2.548 20 0 DFADRP Cc1cn2c(C[NH2+]CCCC[N@@H+](C)C3CC3)c(C)nc2s1 ZINC000651600496 430828773 /nfs/dbraw/zinc/82/87/73/430828773.db2.gz VZBRYEFBHFSJPA-UHFFFAOYSA-N 2 0 306.479 2.977 20 0 DFADRP COC(C)(C)[C@@H](C)[NH2+]CC1CC[NH+](Cc2ccncc2)CC1 ZINC000658164381 430830172 /nfs/dbraw/zinc/83/01/72/430830172.db2.gz CTDWBMGPUTZFSB-OAHLLOKOSA-N 2 0 305.466 2.697 20 0 DFADRP CC(C)CC[NH+]1CCC(CNC(=O)C[N@@H+]2CCC(C)(C)C2)CC1 ZINC000654869940 430832965 /nfs/dbraw/zinc/83/29/65/430832965.db2.gz QSNZKXMXDZGRSJ-UHFFFAOYSA-N 2 0 323.525 2.593 20 0 DFADRP C[C@H](Cc1ccccc1)[NH+]1CCC(N[C@H]2CCC[N@H+](C)C2)CC1 ZINC000648432553 430785431 /nfs/dbraw/zinc/78/54/31/430785431.db2.gz XDAWZWKJCQOMCQ-XLIONFOSSA-N 2 0 315.505 2.766 20 0 DFADRP C[NH+](C)C1CCC([NH2+]CCC(=O)Nc2ccccc2F)CC1 ZINC000644674134 430788139 /nfs/dbraw/zinc/78/81/39/430788139.db2.gz WAAKHSPUWMGZAF-UHFFFAOYSA-N 2 0 307.413 2.617 20 0 DFADRP OC[C@@H]1C[N@H+](CCC[NH+]2CCCCC2)CC[C@@H]1c1ccccc1 ZINC000661664866 430797974 /nfs/dbraw/zinc/79/79/74/430797974.db2.gz GPVMTJHRYKVPFX-VQTJNVASSA-N 2 0 316.489 2.960 20 0 DFADRP C[C@@H]([NH2+]CC1CC[NH+](C2CCOCC2)CC1)c1ccc(F)cn1 ZINC000658067797 430798114 /nfs/dbraw/zinc/79/81/14/430798114.db2.gz QVORTJVGHJMCQY-CQSZACIVSA-N 2 0 321.440 2.762 20 0 DFADRP OC(C[NH+]1CCC(C2CC2)CC1)C[NH+]1CCC(C2CC2)CC1 ZINC000644720335 430798262 /nfs/dbraw/zinc/79/82/62/430798262.db2.gz JNSYNAVBEDGHPG-UHFFFAOYSA-N 2 0 306.494 2.591 20 0 DFADRP C([NH2+][C@@H]1CCCSCC1)C1CC[NH+](C2CCOCC2)CC1 ZINC000658068979 430798448 /nfs/dbraw/zinc/79/84/48/430798448.db2.gz BUMNTINTCRJKEO-MRXNPFEDSA-N 2 0 312.523 2.753 20 0 DFADRP C[C@@H](Cc1ccccc1)[NH+]1CCC([NH2+]CC(C)(C)CO)CC1 ZINC000648485114 430802881 /nfs/dbraw/zinc/80/28/81/430802881.db2.gz BHPNLAPNIWOGPK-INIZCTEOSA-N 2 0 304.478 2.690 20 0 DFADRP C[C@@H](Cc1ccccc1)[NH+]1CCC([NH2+][C@@H](CO)C2CCC2)CC1 ZINC000658087556 430804665 /nfs/dbraw/zinc/80/46/65/430804665.db2.gz UEDFHLVTZCXLLD-JXFKEZNVSA-N 2 0 316.489 2.833 20 0 DFADRP C[C@H]([NH2+][C@H](CO)C1CCC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000658088749 430806462 /nfs/dbraw/zinc/80/64/62/430806462.db2.gz UXWLWLOPJKEQMG-ZYSHUDEJSA-N 2 0 302.462 2.648 20 0 DFADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@@H](CO)CC1CC1 ZINC000658246681 430850853 /nfs/dbraw/zinc/85/08/53/430850853.db2.gz FVIDEUHKXOLOOC-UXPWSPDFSA-N 2 0 316.489 2.895 20 0 DFADRP CC[C@]1(C)CCC[C@@H]1[NH2+]Cc1cccnc1N1CC[NH+](C)CC1 ZINC000651692649 430851318 /nfs/dbraw/zinc/85/13/18/430851318.db2.gz MWDCIRWLIBFVBJ-PKOBYXMFSA-N 2 0 316.493 2.892 20 0 DFADRP C[C@@H]1CC[C@H]([NH2+]CC2CC[NH+](CCO)CC2)c2ccccc21 ZINC000151856078 278609375 /nfs/dbraw/zinc/60/93/75/278609375.db2.gz BXWPBXHEGLZPCJ-BEFAXECRSA-N 2 0 302.462 2.919 20 0 DFADRP C[C@H]([NH2+][C@H]1C[C@H](O)C12CCC2)c1ccc(OCC[NH+](C)C)cc1 ZINC000658250442 430853399 /nfs/dbraw/zinc/85/33/99/430853399.db2.gz FGHPSOLJEXLEGW-WBAXXEDZSA-N 2 0 318.461 2.581 20 0 DFADRP CC[NH+]1CCC(C[NH2+]Cc2ccccc2-c2ccnn2C)CC1 ZINC000644884884 430857880 /nfs/dbraw/zinc/85/78/80/430857880.db2.gz FRTBKOSTPUWVPZ-UHFFFAOYSA-N 2 0 312.461 2.909 20 0 DFADRP C[C@@H]([NH2+]C[C@@H]1CCN(c2ccccc2Cl)C1)[C@@H]1CCC[NH2+]1 ZINC000665233272 430863422 /nfs/dbraw/zinc/86/34/22/430863422.db2.gz CTCZWXVLBZWPOU-YCPHGPKFSA-N 2 0 307.869 2.896 20 0 DFADRP Cc1ccc([C@@H](CCn2cncn2)[NH2+]CC2([NH3+])CCCC2)cc1 ZINC000665247648 430868158 /nfs/dbraw/zinc/86/81/58/430868158.db2.gz GXKZFLSRJYIGRE-QGZVFWFLSA-N 2 0 313.449 2.579 20 0 DFADRP C[C@@H](NCC1([NH3+])CCCC1)c1cccc(OCC[NH+](C)C)c1 ZINC000665249346 430868179 /nfs/dbraw/zinc/86/81/79/430868179.db2.gz OHCULMROTNPZEX-OAHLLOKOSA-N 2 0 305.466 2.549 20 0 DFADRP CC(C)[NH+]1CCC(N[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)CC1 ZINC000665257029 430872826 /nfs/dbraw/zinc/87/28/26/430872826.db2.gz WQGKZAZMWHIENW-RTBURBONSA-N 2 0 319.468 2.734 20 0 DFADRP C[C@H]([NH3+])[C@@H](Cc1ccccc1)N[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000665266787 430876082 /nfs/dbraw/zinc/87/60/82/430876082.db2.gz JRWZTLGBXCAIBV-XKGZKEIXSA-N 2 0 315.505 2.942 20 0 DFADRP C1C[NH2+][C@H]([C@@H]2CCC[C@H]2N[C@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC000665267153 430876719 /nfs/dbraw/zinc/87/67/19/430876719.db2.gz QQNJNKOQOJOMPE-DSLXNQLJSA-N 2 0 305.510 2.904 20 0 DFADRP C1C[NH2+][C@H]([C@H]2CCC[C@H]2N[C@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC000665267156 430877419 /nfs/dbraw/zinc/87/74/19/430877419.db2.gz QQNJNKOQOJOMPE-WZGPROSRSA-N 2 0 305.510 2.904 20 0 DFADRP COc1ccc([C@H](C)[C@@H](C)[NH2+]CC23CC(C2)C[NH2+]3)cc1OC ZINC000665280029 430880152 /nfs/dbraw/zinc/88/01/52/430880152.db2.gz RJZRFGKHBNFDRD-ZBUWUSMVSA-N 2 0 304.434 2.537 20 0 DFADRP CC(C)[C@H]([NH3+])CCN[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000665281201 430880476 /nfs/dbraw/zinc/88/04/76/430880476.db2.gz XARMDJHDBABZIF-QRQLOZEOSA-N 2 0 303.494 2.860 20 0 DFADRP CC(C)[C@H]([NH3+])CC[NH2+][C@@H](C)c1ccc(NC(=O)NC2CC2)cc1 ZINC000665280994 430880731 /nfs/dbraw/zinc/88/07/31/430880731.db2.gz REUIQPSIIIOBSJ-SUMWQHHRSA-N 2 0 318.465 2.995 20 0 DFADRP CCO[C@@H]1C[C@@H]([NH2+]CC[C@@H]([NH3+])C(C)C)[C@@H]1Oc1ccccc1 ZINC000665281567 430881672 /nfs/dbraw/zinc/88/16/72/430881672.db2.gz GYIQGHLDMGMGBE-TVFCKZIOSA-N 2 0 306.450 2.574 20 0 DFADRP Fc1ccc(OC(F)F)c(C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)c1 ZINC000665283859 430882445 /nfs/dbraw/zinc/88/24/45/430882445.db2.gz WJLLYKLEGVWEKL-JTNHKYCSSA-N 2 0 314.351 2.905 20 0 DFADRP C[NH2+]CCCC(=O)N1CCC([NH2+][C@H]2CCCC(C)(C)C2)CC1 ZINC000665287356 430883465 /nfs/dbraw/zinc/88/34/65/430883465.db2.gz JBDOIUXKVNUWPI-INIZCTEOSA-N 2 0 309.498 2.535 20 0 DFADRP CC[C@H]([NH2+]C1CCN(C(=O)CCC[NH2+]C)CC1)c1ccccc1 ZINC000665285002 430883543 /nfs/dbraw/zinc/88/35/43/430883543.db2.gz AAKJZDDOQXELSQ-SFHVURJKSA-N 2 0 317.477 2.718 20 0 DFADRP C[NH2+]CCCC(=O)N1CCC([NH2+][C@@H](C)c2sccc2C)CC1 ZINC000665285465 430884863 /nfs/dbraw/zinc/88/48/63/430884863.db2.gz NLZULHUTVRFRJZ-AWEZNQCLSA-N 2 0 323.506 2.698 20 0 DFADRP C[NH2+]CCCC(=O)N1CCC([NH2+][C@@H](C2CC2)C2CCCC2)CC1 ZINC000665289651 430887092 /nfs/dbraw/zinc/88/70/92/430887092.db2.gz UFDMCHQLJOUMPK-LJQANCHMSA-N 2 0 321.509 2.535 20 0 DFADRP CC[C@@H]1C[C@H](C)CC[C@@H]1[NH2+]C1CCN(C(=O)CCC[NH2+]C)CC1 ZINC000665287950 430887191 /nfs/dbraw/zinc/88/71/91/430887191.db2.gz ZEVUXIUDOSITKZ-NUJGCVRESA-N 2 0 323.525 2.781 20 0 DFADRP CC(C)(C[NH2+][C@@H]1CCOC[C@@H]1[C@H]1CCC[NH2+]1)CC(F)(F)F ZINC000665301495 430890569 /nfs/dbraw/zinc/89/05/69/430890569.db2.gz YVEVRJCERSJQKZ-JHJVBQTASA-N 2 0 308.388 2.712 20 0 DFADRP C([NH2+][C@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1)C1CC[NH+](CC2CC2)CC1 ZINC000665299559 430891381 /nfs/dbraw/zinc/89/13/81/430891381.db2.gz PIPRVFJLVYWOOA-FHWLQOOXSA-N 3 0 305.510 2.619 20 0 DFADRP c1cn2c(n1)[C@@H]([NH2+][C@@H]1CC[C@@H]3C[NH2+]C[C@@H]3C1)CCc1ccccc1-2 ZINC000665299425 430891589 /nfs/dbraw/zinc/89/15/89/430891589.db2.gz MSFNHGPDZZJGTE-XDNAFOTISA-N 2 0 322.456 2.837 20 0 DFADRP c1cn2c(n1)[C@@H]([NH2+][C@@H]1CC[C@@H]3C[NH2+]C[C@H]3C1)CCc1ccccc1-2 ZINC000665299424 430891944 /nfs/dbraw/zinc/89/19/44/430891944.db2.gz MSFNHGPDZZJGTE-TVFCKZIOSA-N 2 0 322.456 2.837 20 0 DFADRP C[C@H](C[NH+]1CCN(CC[NH+]2CCCC2)CC1)C1CCCCC1 ZINC000645076834 430896433 /nfs/dbraw/zinc/89/64/33/430896433.db2.gz XHDCVSHNLBHDIR-GOSISDBHSA-N 2 0 307.526 2.916 20 0 DFADRP CCCC[NH+]1CCC([NH2+][C@@H]2C[C@H](OCC)C23CCOCC3)CC1 ZINC000186293489 278695886 /nfs/dbraw/zinc/69/58/86/278695886.db2.gz BGFNHDMWKIULBI-MSOLQXFVSA-N 2 0 324.509 2.815 20 0 DFADRP CC(C)[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC000648907499 430932668 /nfs/dbraw/zinc/93/26/68/430932668.db2.gz BEFOLZSYAFWRKP-AEFFLSMTSA-N 2 0 321.509 2.773 20 0 DFADRP C[C@@H]1[C@H](C(=O)N2CC[NH+](C(C)(C)CC(C)(C)C)CC2)CC[N@@H+]1C ZINC000648923716 430938106 /nfs/dbraw/zinc/93/81/06/430938106.db2.gz PMXQTEJSBSJIHI-HZPDHXFCSA-N 2 0 323.525 2.686 20 0 DFADRP C[N@H+](CCC(=O)N[C@@H]1CCC[NH+]2CCCC[C@H]12)C1CCCCC1 ZINC000655349945 430971828 /nfs/dbraw/zinc/97/18/28/430971828.db2.gz MTXPIBLGKOWGLB-QZTJIDSGSA-N 2 0 321.509 2.774 20 0 DFADRP CC(C)C[C@H]([NH2+]CC1(O)CC[NH+](C)CC1)c1ccc(F)cc1 ZINC000652154176 430975586 /nfs/dbraw/zinc/97/55/86/430975586.db2.gz YVDQKKDKPHIDMJ-KRWDZBQOSA-N 2 0 308.441 2.959 20 0 DFADRP CCCc1ccc(CN2CCC([N@@H+]3CC[C@H](O)C3)CC2)cc1 ZINC000662154604 430979690 /nfs/dbraw/zinc/97/96/90/430979690.db2.gz XZZYIEUFBSUABB-IBGZPJMESA-N 2 0 302.462 2.670 20 0 DFADRP CCO[C@@H]1C[C@@H]([NH2+]CCC[N@H+](C)CC(C)C)C12CCOCC2 ZINC000652221905 430991069 /nfs/dbraw/zinc/99/10/69/430991069.db2.gz ACBWZBBADXIMHX-IAGOWNOFSA-N 2 0 312.498 2.528 20 0 DFADRP CC[N@H+](CCCNC(=O)N1CCC(C)([NH3+])CC1)C1CCCCC1 ZINC000652228106 430995344 /nfs/dbraw/zinc/99/53/44/430995344.db2.gz WOTIDFKGDGCRCM-UHFFFAOYSA-N 2 0 324.513 2.554 20 0 DFADRP Cn1c(=O)ccc2c1CCC[C@H]2[NH2+]C1CC[NH+](C(C)(C)C)CC1 ZINC000652074004 430954188 /nfs/dbraw/zinc/95/41/88/430954188.db2.gz XJTUWQKOFILBHL-MRXNPFEDSA-N 2 0 317.477 2.615 20 0 DFADRP CC[C@H]([NH2+][C@H](C)CN1CC[NH+](C)CC1)c1ccc(F)cc1F ZINC000155028007 288077934 /nfs/dbraw/zinc/07/79/34/288077934.db2.gz NKOSPPQZUYJABB-DYVFJYSZSA-N 2 0 311.420 2.641 20 0 DFADRP Cc1ccc(C[C@@H]2CCC[N@@H+]2C[C@@H]2CCC3(C[NH2+]C3)O2)cc1 ZINC000662257927 431019993 /nfs/dbraw/zinc/01/99/93/431019993.db2.gz RILADUXQLAKZOA-ROUUACIJSA-N 2 0 300.446 2.523 20 0 DFADRP CC[N@H+](CCCNC(=O)[C@H]1C[C@@]12CCC[NH2+]C2)C1CCCCC1 ZINC000655484870 431025546 /nfs/dbraw/zinc/02/55/46/431025546.db2.gz ZIVSXZNUNCYLCD-IEBWSBKVSA-N 2 0 321.509 2.537 20 0 DFADRP CC(C)c1cccc(C[N@@H+]2C[C@H](C[NH3+])C3(C2)CCOCC3)c1 ZINC000662271999 431026939 /nfs/dbraw/zinc/02/69/39/431026939.db2.gz AZSUHXFMVCMCFS-SFHVURJKSA-N 2 0 302.462 2.997 20 0 DFADRP CO[C@H](C[N@@H+]1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1)C1CCCC1 ZINC000662270991 431027094 /nfs/dbraw/zinc/02/70/94/431027094.db2.gz DBPHGFUWTMLOET-CEXWTWQISA-N 2 0 302.462 2.866 20 0 DFADRP [NH3+]C[C@@H]1C[N@H+](Cc2cccc3c2CC[NH2+]C3)C[C@H]1c1ccccc1 ZINC000662270993 431027161 /nfs/dbraw/zinc/02/71/61/431027161.db2.gz DFOPNUXLZOMBMW-CTNGQTDRSA-N 3 0 321.468 2.507 20 0 DFADRP C[NH+](C)[C@H]1C[C@@H](CNC(=O)CC[C@@H]([NH3+])CC2CCCCC2)C1 ZINC000655488778 431027212 /nfs/dbraw/zinc/02/72/12/431027212.db2.gz GBPBBWPFAXENBS-ZACQAIPSSA-N 2 0 309.498 2.521 20 0 DFADRP CCCc1nc(C[N@@H+]2CCC[C@H]([C@H]3C[C@H]([NH3+])CCO3)C2)cs1 ZINC000652348427 431028166 /nfs/dbraw/zinc/02/81/66/431028166.db2.gz DGRMUMSTEMKIDG-SQWLQELKSA-N 2 0 323.506 2.814 20 0 DFADRP CC[C@H]1C[N@H+](CCc2ccc3c(c2)OC(F)(F)O3)CC[C@@H]1[NH3+] ZINC000662272130 431028328 /nfs/dbraw/zinc/02/83/28/431028328.db2.gz KJSGIWZMGFZWTJ-STQMWFEESA-N 2 0 312.360 2.610 20 0 DFADRP [NH3+]C[C@@H]1C[N@H+](CC[C@@H]2CCc3ccccc32)CC12CCOCC2 ZINC000662272647 431028785 /nfs/dbraw/zinc/02/87/85/431028785.db2.gz GNLQVJLCDDHAIB-ZWKOTPCHSA-N 2 0 314.473 2.794 20 0 DFADRP C[C@H]1CCC[N@H+](CCc2nc3ccccc3n2C)[C@@H]1CC[NH3+] ZINC000652355575 431029698 /nfs/dbraw/zinc/02/96/98/431029698.db2.gz ADDFVIUEXAVRQP-GOEBONIOSA-N 2 0 300.450 2.565 20 0 DFADRP [NH3+][C@@H]1CCO[C@H]1C1CC[NH+](C[C@H]2CCCCC2(F)F)CC1 ZINC000662273341 431029794 /nfs/dbraw/zinc/02/97/94/431029794.db2.gz MGGSOPWZMCRGHU-KFWWJZLASA-N 2 0 302.409 2.640 20 0 DFADRP Cc1c(F)cccc1NC(=O)CC[N@H+]1CCC[C@@H](C)[C@@H]1CC[NH3+] ZINC000652355201 431029820 /nfs/dbraw/zinc/02/98/20/431029820.db2.gz QVIJBIWHSWKVCY-DYVFJYSZSA-N 2 0 321.440 2.912 20 0 DFADRP C[C@H]1CCC[N@H+](CCc2nc3ccccc3n2C)[C@H]1CC[NH3+] ZINC000652355576 431030572 /nfs/dbraw/zinc/03/05/72/431030572.db2.gz ADDFVIUEXAVRQP-HOCLYGCPSA-N 2 0 300.450 2.565 20 0 DFADRP C[C@H]1CCC[N@H+](CCCOc2ccc3c(c2)OCO3)[C@H]1CC[NH3+] ZINC000652354747 431030869 /nfs/dbraw/zinc/03/08/69/431030869.db2.gz HFQPJEVXEBSWBU-HOCLYGCPSA-N 2 0 320.433 2.634 20 0 DFADRP Cc1cccc(OCC[N@@H+]2CCCC[C@@H]2[C@H]2C[C@H]([NH3+])CCO2)c1 ZINC000652360826 431032144 /nfs/dbraw/zinc/03/21/44/431032144.db2.gz RGAQDIBBUZGWPB-BHIYHBOVSA-N 2 0 318.461 2.735 20 0 DFADRP c1cc(C[N@@H+]2CCC[C@@H](OC3CCC3)C2)c2c(c1)C[NH2+]CC2 ZINC000662283683 431032168 /nfs/dbraw/zinc/03/21/68/431032168.db2.gz JJXUNEAAOGNPLB-GOSISDBHSA-N 2 0 300.446 2.866 20 0 DFADRP Fc1ccc(C2([NH2+]C[C@@H]3CCC4(C[NH2+]C4)O3)CCCC2)c(F)c1 ZINC000662281743 431032203 /nfs/dbraw/zinc/03/22/03/431032203.db2.gz LPCOCMIPEORTCI-AWEZNQCLSA-N 2 0 322.399 2.845 20 0 DFADRP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCC[N@@H+]2CCOc2ccccc2F)C1 ZINC000652360377 431032297 /nfs/dbraw/zinc/03/22/97/431032297.db2.gz GHQGYXWWULHCAT-QGPMSJSTSA-N 2 0 322.424 2.565 20 0 DFADRP Cc1cccc(OCC[N@@H+]2CCCC[C@@H]2[C@@H]2C[C@@H]([NH3+])CCO2)c1 ZINC000652360829 431033494 /nfs/dbraw/zinc/03/34/94/431033494.db2.gz RGAQDIBBUZGWPB-UHOSZYNNSA-N 2 0 318.461 2.735 20 0 DFADRP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCC[N@@H+]2CCCc2ccccc2)C1 ZINC000652360803 431033583 /nfs/dbraw/zinc/03/35/83/431033583.db2.gz QRZFRFYTZUXXRZ-CEXWTWQISA-N 2 0 302.462 2.980 20 0 DFADRP Fc1ccccc1OCC[N@@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662293243 431034557 /nfs/dbraw/zinc/03/45/57/431034557.db2.gz DWZYAAIKJXSLJU-INIZCTEOSA-N 2 0 306.425 2.916 20 0 DFADRP Cc1ccccc1NC(=O)C[N@@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662295321 431037358 /nfs/dbraw/zinc/03/73/58/431037358.db2.gz QAKXEEQQWJUVPV-QGZVFWFLSA-N 2 0 315.461 2.645 20 0 DFADRP CC(C)c1ccc2c(c1)C[N@@H+](C[C@H]1CCC3(C[NH2+]C3)O1)CC2 ZINC000662298653 431037526 /nfs/dbraw/zinc/03/75/26/431037526.db2.gz DRUGZAJUHKODJC-GOSISDBHSA-N 2 0 300.446 2.689 20 0 DFADRP COc1cccc(OCC[NH+]2CCC([C@@H]3CCC[NH2+]C3)CC2)c1 ZINC000662295408 431038340 /nfs/dbraw/zinc/03/83/40/431038340.db2.gz ZXVRRPXFPBDUQX-QGZVFWFLSA-N 2 0 318.461 2.786 20 0 DFADRP COc1ccc2c(c1)CC[N@@H+](Cc1cccc3c1CC[NH2+]C3)C2 ZINC000662309995 431041377 /nfs/dbraw/zinc/04/13/77/431041377.db2.gz FUKKDGFVEPYGGL-UHFFFAOYSA-N 2 0 308.425 2.899 20 0 DFADRP C[C@@H]1CCC[N@H+](CCC(=O)Nc2ccccc2F)[C@@H]1CCC[NH3+] ZINC000662313205 431043778 /nfs/dbraw/zinc/04/37/78/431043778.db2.gz GNBNBOBNBLOUEF-RHSMWYFYSA-N 2 0 321.440 2.994 20 0 DFADRP COc1ccc([C@H](C[NH3+])C[NH+]2CCC(c3ccon3)CC2)cc1 ZINC000662314668 431044064 /nfs/dbraw/zinc/04/40/64/431044064.db2.gz AKGJHXDTFGINSH-MRXNPFEDSA-N 2 0 315.417 2.605 20 0 DFADRP C[C@@H]1CCC[N@@H+](CC(=O)N[C@H]2CCCC[C@@H]2C)[C@@H]1CCC[NH3+] ZINC000662313352 431044367 /nfs/dbraw/zinc/04/43/67/431044367.db2.gz LAFLMMPSZPVKAL-VVLHAWIVSA-N 2 0 309.498 2.521 20 0 DFADRP CN(c1ccccc1)[C@H]1CC[N@H+](CCCC2CC[NH2+]CC2)C1 ZINC000662318422 431044558 /nfs/dbraw/zinc/04/45/58/431044558.db2.gz ZTYGFLHHXDGQOI-IBGZPJMESA-N 2 0 301.478 2.977 20 0 DFADRP C[C@H]1CCCC[N@@H+]1CCCNC(=O)C[C@@H]1[NH2+]Cc2ccccc21 ZINC000662352425 431055259 /nfs/dbraw/zinc/05/52/59/431055259.db2.gz VBRHFPCARVOMLH-YJBOKZPZSA-N 2 0 315.461 2.602 20 0 DFADRP CC[C@H]([NH2+]C)C(=O)Nc1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000662389256 431070157 /nfs/dbraw/zinc/07/01/57/431070157.db2.gz WDIUIOUEHUKNDG-YOEHRIQHSA-N 2 0 303.450 2.855 20 0 DFADRP C[C@@H]1C[C@@H](C[NH2+][C@@H]2CC(C)(C)Oc3ccc(N)cc32)CC[NH2+]1 ZINC000332311823 278894039 /nfs/dbraw/zinc/89/40/39/278894039.db2.gz GXLXMCPNFOCTQE-DVOMOZLQSA-N 2 0 303.450 2.849 20 0 DFADRP [NH3+][C@H](CC1CCCCC1)C(=O)Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000649319224 431064430 /nfs/dbraw/zinc/06/44/30/431064430.db2.gz PTLPQOZHAWBFQD-MRXNPFEDSA-N 2 0 313.405 2.504 20 0 DFADRP CC[C@H]([NH2+]C)C(=O)NC[C@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC000662382383 431065992 /nfs/dbraw/zinc/06/59/92/431065992.db2.gz JBRJJVDUFNNHGH-JKSUJKDBSA-N 2 0 323.868 2.591 20 0 DFADRP C[C@@H](NC(=O)C(C)(C)[C@H]([NH3+])c1ccccc1)C1CC[NH+](C)CC1 ZINC000649314633 431066020 /nfs/dbraw/zinc/06/60/20/431066020.db2.gz HPHVXTRRLMWYIP-RHSMWYFYSA-N 2 0 317.477 2.559 20 0 DFADRP CC(C)[NH2+]CC(=O)NCc1ccccc1C[N@@H+]1CCC[C@H](C)C1 ZINC000662388164 431068403 /nfs/dbraw/zinc/06/84/03/431068403.db2.gz JUVOOMMETZIFSF-INIZCTEOSA-N 2 0 317.477 2.533 20 0 DFADRP C[C@@H]([NH3+])C1CC[NH+](Cc2cc(F)ccc2OC(F)F)CC1 ZINC000662247509 431012658 /nfs/dbraw/zinc/01/26/58/431012658.db2.gz WPQBEYYIJYAGMK-SNVBAGLBSA-N 2 0 302.340 2.986 20 0 DFADRP CC(C)C[C@](C)(C[NH3+])NC(=O)c1ccc2c(c1)[C@@H](C[NH3+])CCC2 ZINC000659289009 431013670 /nfs/dbraw/zinc/01/36/70/431013670.db2.gz BAUUBUUERQIROI-VQIMIIECSA-N 2 0 317.477 2.559 20 0 DFADRP C[C@H](c1cc2ccccc2o1)[N@H+](C)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662249021 431013713 /nfs/dbraw/zinc/01/37/13/431013713.db2.gz NJVKTWBJWXJDPF-UKRRQHHQSA-N 2 0 300.402 2.947 20 0 DFADRP C[C@@H]([NH3+])c1ccc(CNC(=O)C[C@@H]2[NH2+]Cc3ccccc32)cc1 ZINC000659292112 431013856 /nfs/dbraw/zinc/01/38/56/431013856.db2.gz OMRMRCGUPXPOTE-ACJLOTCBSA-N 2 0 309.413 2.557 20 0 DFADRP C[NH+](C)CC[C@H](NC(=O)C[C@@H]1[NH2+]Cc2ccccc21)C(C)(C)C ZINC000659293674 431014853 /nfs/dbraw/zinc/01/48/53/431014853.db2.gz XKZIOXDBLYSFGM-IRXDYDNUSA-N 2 0 317.477 2.704 20 0 DFADRP C[N@H+](CCc1cccc2ccccc21)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662252942 431015186 /nfs/dbraw/zinc/01/51/86/431015186.db2.gz DUWKVTGQCSGBGK-GOSISDBHSA-N 2 0 310.441 2.835 20 0 DFADRP CC(C)COC1CC[NH+](Cc2cccc3c2CC[NH2+]C3)CC1 ZINC000662251435 431015630 /nfs/dbraw/zinc/01/56/30/431015630.db2.gz CDZCOLRDJWOBCY-UHFFFAOYSA-N 2 0 302.462 2.969 20 0 DFADRP C[N@H+](Cc1ccccc1)C1CCC([NH2+][C@H](CO)CCF)CC1 ZINC000652302175 431016653 /nfs/dbraw/zinc/01/66/53/431016653.db2.gz RRJLLNAWKUAALP-ADKAHSJRSA-N 2 0 308.441 2.740 20 0 DFADRP CCC[N@H+](C[C@@H]1CCC2(C[NH2+]C2)O1)[C@H]1CCc2ccccc2C1 ZINC000662255112 431017250 /nfs/dbraw/zinc/01/72/50/431017250.db2.gz WPIHGTXSUADCFR-OALUTQOASA-N 2 0 314.473 2.777 20 0 DFADRP C[C@@H]1[NH2+]CC[C@H]1C(=O)Nc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000645502406 431017428 /nfs/dbraw/zinc/01/74/28/431017428.db2.gz GCDVSIIDBOQSNV-RVKKMQEKSA-N 2 0 315.461 2.855 20 0 DFADRP C[C@H]1C[C@@H]([NH2+]CCc2ccc3c(c2)OC(F)(F)O3)CC[N@@H+]1C ZINC000652315500 431019223 /nfs/dbraw/zinc/01/92/23/431019223.db2.gz WRQCQKNTIDEZAD-AAEUAGOBSA-N 2 0 312.360 2.623 20 0 DFADRP CO[C@@H](Cc1ccccc1)C[N@H+](C)C[C@H]1CCc2nccn2C1 ZINC000649460708 431108763 /nfs/dbraw/zinc/10/87/63/431108763.db2.gz VRKRJYMDWOYUPH-MSOLQXFVSA-N 2 0 313.445 2.635 20 0 DFADRP C[NH+](C)Cc1cccc(NC2CC[NH+](C[C@@H]3CCCO3)CC2)c1 ZINC000655745210 431110419 /nfs/dbraw/zinc/11/04/19/431110419.db2.gz FZGRXHLLCIDZJG-IBGZPJMESA-N 2 0 317.477 2.804 20 0 DFADRP O[C@@H](C[NH2+][C@@H]1CCc2cccc(Cl)c2C1)C[NH+]1CCCCC1 ZINC000666085003 431112137 /nfs/dbraw/zinc/11/21/37/431112137.db2.gz PYGWVCYVCBLECH-CVEARBPZSA-N 2 0 322.880 2.634 20 0 DFADRP Cc1ccccc1C[NH+]1CCCN(C[C@H]2CCC[N@H+]2C)CC1 ZINC000649479781 431114190 /nfs/dbraw/zinc/11/41/90/431114190.db2.gz KPZRMTNECRZMKL-LJQANCHMSA-N 2 0 301.478 2.597 20 0 DFADRP [NH3+][C@@H]1CCCCCC[C@H]1C(=O)N1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662592366 431126492 /nfs/dbraw/zinc/12/64/92/431126492.db2.gz FRMLHSSLIBANOW-RCCFBDPRSA-N 2 0 321.509 2.522 20 0 DFADRP CCc1cccc(C[NH2+]C[C@H](O)CN(C)Cc2ccccc2)c1 ZINC000649487914 431118429 /nfs/dbraw/zinc/11/84/29/431118429.db2.gz VATMWONYGYOKAW-FQEVSTJZSA-N 2 0 312.457 2.832 20 0 DFADRP CC(C)C[C@H](C[NH3+])CC(=O)N[C@H](CCC[NH3+])c1ccccc1 ZINC000662571443 431119326 /nfs/dbraw/zinc/11/93/26/431119326.db2.gz OWBWHEZCSJWFJO-DOTOQJQBSA-N 2 0 305.466 2.594 20 0 DFADRP C[C@H]1CCC[C@@](CNC(=O)c2cccc3c2C[NH2+]C3)([NH+](C)C)C1 ZINC000662400757 431071814 /nfs/dbraw/zinc/07/18/14/431071814.db2.gz FLRABBJVOTUSPB-IFXJQAMLSA-N 2 0 315.461 2.530 20 0 DFADRP C[NH+](C)[C@H](CNC(=O)C1CCC([NH3+])CC1)c1ccc(Cl)cc1 ZINC000649346516 431072133 /nfs/dbraw/zinc/07/21/33/431072133.db2.gz MXYPQBOWYYMATK-AVVWSFFYSA-N 2 0 323.868 2.576 20 0 DFADRP CC(C)c1ccc([C@@H]([NH3+])CNC(=O)C2([NH2+]C3CC3)CCC2)cc1 ZINC000662409818 431072899 /nfs/dbraw/zinc/07/28/99/431072899.db2.gz CXJKTSQFQYCYLI-KRWDZBQOSA-N 2 0 315.461 2.601 20 0 DFADRP CC(C)c1ccc([C@H]([NH3+])CNC(=O)C2([NH2+]C3CC3)CCC2)cc1 ZINC000662409819 431073217 /nfs/dbraw/zinc/07/32/17/431073217.db2.gz CXJKTSQFQYCYLI-QGZVFWFLSA-N 2 0 315.461 2.601 20 0 DFADRP CC(C)[C@H]([NH3+])CCN(C)C(=O)c1ccc2c(c1)[C@H](C[NH3+])CCC2 ZINC000662427859 431079664 /nfs/dbraw/zinc/07/96/64/431079664.db2.gz MDCUCJRGOVAZNY-FUHWJXTLSA-N 2 0 317.477 2.511 20 0 DFADRP C[NH+](C)C1(CNC(=O)C[C@@H]2[NH2+]Cc3ccccc32)CCCCC1 ZINC000662442322 431081816 /nfs/dbraw/zinc/08/18/16/431081816.db2.gz KRFYWYRSTHROOZ-KRWDZBQOSA-N 2 0 315.461 2.602 20 0 DFADRP CCC[NH+](CCC)CCCNC(=O)C[C@@H]1[NH2+]Cc2ccccc21 ZINC000662442948 431082173 /nfs/dbraw/zinc/08/21/73/431082173.db2.gz WLKFQCSYQAFRAT-SFHVURJKSA-N 2 0 317.477 2.849 20 0 DFADRP C[N@@H+]1CCC[C@@H](N2CC[NH+](C[C@@H]3CCCCC3(F)F)CC2)C1 ZINC000649382213 431084060 /nfs/dbraw/zinc/08/40/60/431084060.db2.gz WMWZOVHWOVQTIA-JKSUJKDBSA-N 2 0 315.452 2.524 20 0 DFADRP C[N@@H+]1CCC[C@H](N2CC[NH+](CC/C=C/c3ccccc3)CC2)C1 ZINC000649382194 431084208 /nfs/dbraw/zinc/08/42/08/431084208.db2.gz TWTMDGALMOUZKM-JOCSGSGBSA-N 2 0 313.489 2.802 20 0 DFADRP CC[N@H+](CCCNC(=O)[C@H]1CCCC[NH+]1C)C1CCCCC1 ZINC000652756655 431125741 /nfs/dbraw/zinc/12/57/41/431125741.db2.gz OFZYNJRQFNQQIM-QGZVFWFLSA-N 2 0 309.498 2.632 20 0 DFADRP c1ccc(C[N@H+]2CCC[C@]3(CCN(C[C@@H]4CC[NH2+]C4)C3)C2)cc1 ZINC000649412908 431093315 /nfs/dbraw/zinc/09/33/15/431093315.db2.gz DAEPSCMQKVQDTH-UXHICEINSA-N 2 0 313.489 2.584 20 0 DFADRP CN(Cc1ccccc1)[C@H]1CC[N@H+](CCC2CC[NH2+]CC2)C1 ZINC000649413890 431093370 /nfs/dbraw/zinc/09/33/70/431093370.db2.gz PUNWKKWCCNCJLL-IBGZPJMESA-N 2 0 301.478 2.582 20 0 DFADRP Cc1ccccc1CN1CCC[N@H+](CC[C@H]2CCC[NH2+]C2)CC1 ZINC000649411550 431093865 /nfs/dbraw/zinc/09/38/65/431093865.db2.gz DNXBMQNSOUGAQF-LJQANCHMSA-N 2 0 315.505 2.892 20 0 DFADRP Cc1cc(C)n(C[C@@H]2CCCC[N@@H+]2CC[C@@H]2CCC[NH2+]C2)n1 ZINC000649413113 431094282 /nfs/dbraw/zinc/09/42/82/431094282.db2.gz LYEHHGLPXMTLMM-ROUUACIJSA-N 2 0 304.482 2.744 20 0 DFADRP Oc1cccc2c1CC[C@@H]2[NH2+]C1CCN(C[C@@H]2CCCO2)CC1 ZINC000655714343 431094617 /nfs/dbraw/zinc/09/46/17/431094617.db2.gz AYMXDUHYPPWPLB-YJBOKZPZSA-N 2 0 316.445 2.613 20 0 DFADRP CC(C)C[C@H](C[NH3+])CC(=O)N1CCC[C@H]([N@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC000662526543 431106996 /nfs/dbraw/zinc/10/69/96/431106996.db2.gz GYKSHIFDTOROKI-MHORFTMASA-N 2 0 323.525 2.861 20 0 DFADRP C[C@H]([NH2+]C1(CNC(=O)CC(C)(C)[NH3+])CCCC1)c1ccccc1 ZINC000645958869 431129633 /nfs/dbraw/zinc/12/96/33/431129633.db2.gz BEFMAQTVRRMODC-HNNXBMFYSA-N 2 0 317.477 2.894 20 0 DFADRP C[C@H](C(=O)NC[C@H]1CC[N@@H+](C(C)(C)C)C1)[C@@H]([NH3+])c1ccccc1 ZINC000662594083 431127781 /nfs/dbraw/zinc/12/77/81/431127781.db2.gz RJIMPXPNYQARDD-ZMSDIMECSA-N 2 0 317.477 2.559 20 0 DFADRP CC[NH+](CC)[C@@H]1CCN(C(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC000361498187 279151461 /nfs/dbraw/zinc/15/14/61/279151461.db2.gz SAMWBBARMWBKDK-FUHWJXTLSA-N 2 0 321.509 2.584 20 0 DFADRP CC[NH+](CC)[C@H]1CCN(C(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC000361498189 279168191 /nfs/dbraw/zinc/16/81/91/279168191.db2.gz SAMWBBARMWBKDK-WMZOPIPTSA-N 2 0 321.509 2.584 20 0 DFADRP CCN(CCC[N@H+](C)[C@@H]1CC[NH+](CC)C[C@@H]1C)CC(F)(F)F ZINC000355096501 279179625 /nfs/dbraw/zinc/17/96/25/279179625.db2.gz LDBUIGQXFIGCSV-LSDHHAIUSA-N 2 0 323.447 2.923 20 0 DFADRP C[C@H](C(=O)NC[C@@H](c1cccs1)[NH+](C)C)[NH+]1CCCCCC1 ZINC000118757013 279224214 /nfs/dbraw/zinc/22/42/14/279224214.db2.gz ZFCNRVSEAQPQHE-CABCVRRESA-N 2 0 323.506 2.732 20 0 DFADRP CC[NH+](CC)CCCNC(=O)C1CC[NH+](CC2CC=CC2)CC1 ZINC000659844464 431138494 /nfs/dbraw/zinc/13/84/94/431138494.db2.gz LZRORWAXPVVYRQ-UHFFFAOYSA-N 2 0 321.509 2.513 20 0 DFADRP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@H]1CCCCc2ccccc21 ZINC000155078594 279313503 /nfs/dbraw/zinc/31/35/03/279313503.db2.gz GRYGBQXICBJOIV-APWZRJJASA-N 2 0 301.478 2.680 20 0 DFADRP C[C@H](CN[C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1)[NH+](C)C1CC1 ZINC000274928846 279348396 /nfs/dbraw/zinc/34/83/96/279348396.db2.gz QNICHMBJEQLARC-AOIWGVFYSA-N 2 0 315.505 2.969 20 0 DFADRP C[C@H](C[NH2+][C@H](C)c1nccc2ccccc21)N1CC[NH+](C)CC1 ZINC000289792853 279351687 /nfs/dbraw/zinc/35/16/87/279351687.db2.gz OLVQINZJNYMLCU-HZPDHXFCSA-N 2 0 312.461 2.521 20 0 DFADRP CN(C[C@@H]1CCC[N@@H+]1C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000649560403 431161366 /nfs/dbraw/zinc/16/13/66/431161366.db2.gz LCXIELPJUMEFDY-IBGZPJMESA-N 2 0 301.478 2.677 20 0 DFADRP CC(C)[N@H+](C)Cc1cccc(CNC(=O)[C@H]2[NH2+]CCC2(C)C)c1 ZINC000662695271 431165257 /nfs/dbraw/zinc/16/52/57/431165257.db2.gz IYIDIBSOFZATKZ-QGZVFWFLSA-N 2 0 317.477 2.531 20 0 DFADRP C[NH+](C)CCc1ccc(NC(=O)c2cccc3c2CC[NH2+]C3)cc1 ZINC000662702462 431167889 /nfs/dbraw/zinc/16/78/89/431167889.db2.gz AJKRRMCGFFUOTG-UHFFFAOYSA-N 2 0 323.440 2.689 20 0 DFADRP C[N@@H+]1CCC[C@@H]1CC[NH+]1CCC[C@H](O)[C@@H]1CCc1ccccc1 ZINC000646073975 431173412 /nfs/dbraw/zinc/17/34/12/431173412.db2.gz MRAXYWYEUISECR-AABGKKOBSA-N 2 0 316.489 2.929 20 0 DFADRP C[N@@H+]1CCCC[C@@H]1CN1CC[NH+](C[C@@H]2CC[C@@H]3C[C@@H]3C2)CC1 ZINC000659911255 431182381 /nfs/dbraw/zinc/18/23/81/431182381.db2.gz WNCMSWGKTGQKNN-AKHDSKFASA-N 2 0 305.510 2.525 20 0 DFADRP CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)C[C@@H]1[NH2+]Cc2ccccc21 ZINC000662745327 431182613 /nfs/dbraw/zinc/18/26/13/431182613.db2.gz LYWSZXABKNICOU-AEFFLSMTSA-N 2 0 315.461 2.554 20 0 DFADRP Cc1cccc(CCC[N@@H+]2CCOC3(CC[NH+](C)CC3)C2)c1 ZINC000646106058 431190144 /nfs/dbraw/zinc/19/01/44/431190144.db2.gz PIHPVIDHNSDOIY-UHFFFAOYSA-N 2 0 302.462 2.724 20 0 DFADRP CO[C@H](C[N@@H+]1CCC[C@H](C[NH+]2CCCC[C@H]2C)C1)[C@@H]1CCOC1 ZINC000659928709 431191865 /nfs/dbraw/zinc/19/18/65/431191865.db2.gz LQMJBNKHUGAXMK-FCGDIQPGSA-N 2 0 324.509 2.624 20 0 DFADRP CC1(C)CC[NH2+][C@@H]1C(=O)Nc1cccc(CC[NH+]2CCCC2)c1 ZINC000662790596 431194708 /nfs/dbraw/zinc/19/47/08/431194708.db2.gz CREOUHARHAWOBF-QGZVFWFLSA-N 2 0 315.461 2.652 20 0 DFADRP CCOc1ccc(CN(C[C@H](O)C[N@H+](C)C(C)C)C(C)C)cc1 ZINC000659859554 431154477 /nfs/dbraw/zinc/15/44/77/431154477.db2.gz JUAFMYOBRZRZLO-GOSISDBHSA-N 2 0 322.493 2.997 20 0 DFADRP O=C(C[C@H]1[NH2+]Cc2ccccc21)NCCC[NH+]1CCCCCC1 ZINC000662664821 431154913 /nfs/dbraw/zinc/15/49/13/431154913.db2.gz HUGHJFULLWTLSZ-GOSISDBHSA-N 2 0 315.461 2.603 20 0 DFADRP CO[C@@H](C[NH+]1CCC(CC[NH+]2CCOCC2)CC1)C1CCCC1 ZINC000659861078 431155191 /nfs/dbraw/zinc/15/51/91/431155191.db2.gz NVLZKSBYYAYDPA-IBGZPJMESA-N 2 0 324.509 2.626 20 0 DFADRP C[C@@H](CC(=O)N[C@H]1CC[N@@H+](C2CCCCC2)C1)C1CC[NH2+]CC1 ZINC000662669459 431156334 /nfs/dbraw/zinc/15/63/34/431156334.db2.gz ZNFKQPAGONGTHO-RDJZCZTQSA-N 2 0 321.509 2.535 20 0 DFADRP Cc1ccc(NC(=O)C[C@@H](C)[NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)c(C)c1 ZINC000655806911 431156819 /nfs/dbraw/zinc/15/68/19/431156819.db2.gz DKTFBZODEHPZAM-ZACQAIPSSA-N 2 0 317.477 2.950 20 0 DFADRP C[C@H]([NH3+])c1ccc(C(=O)N[C@@H]2CC[N@@H+](C3CCCCC3)C2)cc1 ZINC000662668487 431157647 /nfs/dbraw/zinc/15/76/47/431157647.db2.gz NIEDKFLMMOKDLA-WMLDXEAASA-N 2 0 315.461 2.843 20 0 DFADRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H](C)[C@@H]2CC2(F)F)[C@H](C)C1 ZINC000666228924 431158074 /nfs/dbraw/zinc/15/80/74/431158074.db2.gz ZJUKJLKWKADNIC-KBXIAJHMSA-N 2 0 304.425 2.757 20 0 DFADRP CC[C@@H](Cc1ccc(OC)c(OC)c1)[NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000655805205 431158807 /nfs/dbraw/zinc/15/88/07/431158807.db2.gz KTJNOXNYKZODIE-YESZJQIVSA-N 2 0 320.477 2.955 20 0 DFADRP CC[NH+](CC)[C@@H](CNC(=O)C1([NH2+]C2CC2)CCC1)CC(C)C ZINC000662674154 431159567 /nfs/dbraw/zinc/15/95/67/431159567.db2.gz WQFRPFJHQCTDMU-MRXNPFEDSA-N 2 0 309.498 2.534 20 0 DFADRP CC[NH+](CC)[C@H](CNC(=O)[C@@H]1[NH2+]CCC1(C)C)c1ccsc1 ZINC000662678847 431160042 /nfs/dbraw/zinc/16/00/42/431160042.db2.gz JYTQJFPHIIFIDA-CABCVRRESA-N 2 0 323.506 2.635 20 0 DFADRP O[C@@H]1CCC[N@H+](Cc2ccc(OCC[NH+]3CCCC3)cc2)CC1 ZINC000646297918 431257812 /nfs/dbraw/zinc/25/78/12/431257812.db2.gz KENYQDCAEAGCHN-GOSISDBHSA-N 2 0 318.461 2.508 20 0 DFADRP Cc1cc(C[NH3+])cc(NC(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@H]23)c1 ZINC000655910573 431212557 /nfs/dbraw/zinc/21/25/57/431212557.db2.gz YQRHNRKBJCATPR-IAGOWNOFSA-N 2 0 316.449 2.592 20 0 DFADRP CC(C)(C)[N@@H+]1CC[C@@H](CNC(=O)[C@@H]([NH3+])c2cccc(Cl)c2)C1 ZINC000662845762 431213154 /nfs/dbraw/zinc/21/31/54/431213154.db2.gz KOYPONXPBDCFAU-WFASDCNBSA-N 2 0 323.868 2.576 20 0 DFADRP C[NH2+]Cc1ccc(NC(=O)N[C@H]2CCC[N@@H+]3CCCC[C@@H]23)cc1 ZINC000655909411 431214604 /nfs/dbraw/zinc/21/46/04/431214604.db2.gz JBRYBDPKSKOIML-IRXDYDNUSA-N 2 0 316.449 2.544 20 0 DFADRP C[NH+](C)CC[C@H](N)C(=O)Nc1ccc2oc3ccccc3c2c1 ZINC000653056462 431247735 /nfs/dbraw/zinc/24/77/35/431247735.db2.gz HOCLYRYBCTYJJA-HNNXBMFYSA-N 2 0 311.385 2.804 20 0 DFADRP CC(C)[C@H](C)[NH+]1CCC(C(=O)NCCC[NH+]2CCCCC2)CC1 ZINC000660118930 431278349 /nfs/dbraw/zinc/27/83/49/431278349.db2.gz JXZCDTLIPPWUEF-KRWDZBQOSA-N 2 0 323.525 2.735 20 0 DFADRP C[C@H]([NH3+])c1ccc(C(=O)N2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)cc1 ZINC000646379011 431288165 /nfs/dbraw/zinc/28/81/65/431288165.db2.gz MRQOOSZQXBWDQP-WBAXXEDZSA-N 2 0 315.461 2.558 20 0 DFADRP [NH3+][C@@H]1CCC[C@H]([NH2+]Cc2cccc(NC(=O)C3CCC3)c2)C1 ZINC000656193861 431303128 /nfs/dbraw/zinc/30/31/28/431303128.db2.gz WECOQOJZUPLWLR-CVEARBPZSA-N 2 0 301.434 2.785 20 0 DFADRP CC[N@H+](CCCNC(=O)[C@@H]1C[C@@H](C)CC[NH2+]1)C1CCCCC1 ZINC000653200972 431306646 /nfs/dbraw/zinc/30/66/46/431306646.db2.gz VVSRCQKZZUEXHA-RDJZCZTQSA-N 2 0 309.498 2.535 20 0 DFADRP CC[NH+](CC)Cc1ccccc1CNC(=O)[C@H]1CCC[NH2+]CC1 ZINC000653107124 431271200 /nfs/dbraw/zinc/27/12/00/431271200.db2.gz YRSQEGSKXFZDEG-INIZCTEOSA-N 2 0 317.477 2.534 20 0 DFADRP CC(C)[N@H+](C)Cc1cccc(CNC(=O)[C@H]2CCC[NH2+]CC2)c1 ZINC000653112639 431271557 /nfs/dbraw/zinc/27/15/57/431271557.db2.gz FFCQXTGUXCJFPL-SFHVURJKSA-N 2 0 317.477 2.533 20 0 DFADRP CC(C)[C@H](Cc1ccc(F)cc1)[NH2+]C[C@H](O)C[N@H+](C)C(C)C ZINC000660213579 431323446 /nfs/dbraw/zinc/32/34/46/431323446.db2.gz SROZNCITDOVIDS-ROUUACIJSA-N 2 0 310.457 2.684 20 0 DFADRP COc1cc2[nH+]ccc(N3C[C@H]4CCC[C@@H](C3)[NH2+]4)c2cc1OC ZINC000663235929 431334591 /nfs/dbraw/zinc/33/45/91/431334591.db2.gz BDFSQTZFDUQWLE-BETUJISGSA-N 2 0 313.401 2.583 20 0 DFADRP CC[C@H]([NH3+])C(=O)Nc1ccc(SCC[NH+]2CCCC2)cc1 ZINC000653253289 431336574 /nfs/dbraw/zinc/33/65/74/431336574.db2.gz NXQKQUIWJCSRMJ-HNNXBMFYSA-N 2 0 307.463 2.550 20 0 DFADRP CC(C)[C@H]([NH3+])C(=O)Nc1ccc(SCC[NH+]2CCCC2)cc1 ZINC000653253436 431337428 /nfs/dbraw/zinc/33/74/28/431337428.db2.gz UFOOOFABEIOLCB-INIZCTEOSA-N 2 0 321.490 2.796 20 0 DFADRP CCOCCC[NH2+][C@@H]1CC2(CC[NH+](C)CC2)Oc2ccccc21 ZINC000375014266 279695733 /nfs/dbraw/zinc/69/57/33/279695733.db2.gz ASIFPYQKFCSGBI-QGZVFWFLSA-N 2 0 318.461 2.991 20 0 DFADRP C[C@@H](O)C[N@H+](Cc1ccc(OCC[NH+]2CCCC2)cc1)C1CC1 ZINC000656280235 431351597 /nfs/dbraw/zinc/35/15/97/431351597.db2.gz XJKUSGYIILZPRY-MRXNPFEDSA-N 2 0 318.461 2.506 20 0 DFADRP CC(C)[N@H+](C)C[C@H](O)C[NH2+]C1(Cc2ccccc2)CCCC1 ZINC000660276655 431353793 /nfs/dbraw/zinc/35/37/93/431353793.db2.gz RLZCYPZTDWZSML-GOSISDBHSA-N 2 0 304.478 2.833 20 0 DFADRP COc1cccc(C[NH2+][C@@H]2CC23CC[NH2+]CC3)c1OC(F)F ZINC000666950956 431420700 /nfs/dbraw/zinc/42/07/00/431420700.db2.gz SWTSUHWFRUPFCG-CYBMUJFWSA-N 2 0 312.360 2.528 20 0 DFADRP CCCOc1ccc(C[NH2+][C@H]2CC23CC[NH2+]CC3)cc1OC ZINC000666952080 431422156 /nfs/dbraw/zinc/42/21/56/431422156.db2.gz FJBFGEYDEHUEIX-KRWDZBQOSA-N 2 0 304.434 2.716 20 0 DFADRP C[C@@H]1CCC[C@H]([NH+]2CCC([NH2+][C@H]3CC34CC[NH2+]CC4)CC2)C1 ZINC000666954180 431422537 /nfs/dbraw/zinc/42/25/37/431422537.db2.gz RFZHKUOPYBUCSD-NJAFHUGGSA-N 2 0 305.510 2.761 20 0 DFADRP COCC[C@@H](Cc1cccc(F)c1)[NH2+][C@H]1CC12CC[NH2+]CC2 ZINC000666954102 431422713 /nfs/dbraw/zinc/42/27/13/431422713.db2.gz PWMAMQOMSPHWRN-IRXDYDNUSA-N 2 0 306.425 2.505 20 0 DFADRP CC[C@@H](Cc1ccc(OC)c(OC)c1)[NH2+][C@@H]1CC12CC[NH2+]CC2 ZINC000666953793 431423447 /nfs/dbraw/zinc/42/34/47/431423447.db2.gz HYECNTFBPNMLGF-MAUKXSAKSA-N 2 0 318.461 2.757 20 0 DFADRP Fc1ccc(CCN2CCC([NH2+][C@@H]3CCC[NH2+]CC3)CC2)cc1 ZINC000666858040 431387023 /nfs/dbraw/zinc/38/70/23/431387023.db2.gz ULGUWDPALNOAOQ-GOSISDBHSA-N 2 0 319.468 2.564 20 0 DFADRP CC[C@H](C)Oc1cc(C[NH2+][C@H]2CC[NH2+]C[C@H]2C)ccc1OC ZINC000666879649 431393542 /nfs/dbraw/zinc/39/35/42/431393542.db2.gz UKRNQCDGNAYAPN-YCPHGPKFSA-N 2 0 306.450 2.960 20 0 DFADRP C[C@H]1C[NH2+]CC[C@H]1[NH2+]Cc1cn(C)nc1-c1cc2ccccc2o1 ZINC000666878553 431393588 /nfs/dbraw/zinc/39/35/88/431393588.db2.gz LEIWFQSHRUHPPW-XJKSGUPXSA-N 2 0 324.428 2.921 20 0 DFADRP O[C@H](CCc1ccccc1)C[NH2+]CC1CC[NH+](CC2CC2)CC1 ZINC000663374836 431393689 /nfs/dbraw/zinc/39/36/89/431393689.db2.gz OZYZNVKEHQBGSL-HXUWFJFHSA-N 2 0 316.489 2.692 20 0 DFADRP C[C@@H]1C[N@H+](CCC[NH2+][C@@H]2CCCC[C@@H]2[C@@H]2CCOC2)CCCO1 ZINC000365315346 288163059 /nfs/dbraw/zinc/16/30/59/288163059.db2.gz GJSIJJVDSBPDJN-NCXUSEDFSA-N 2 0 324.509 2.672 20 0 DFADRP CCC[C@@H]([NH3+])c1cn(C[C@H]2CC[N@H+](Cc3ccccc3)C2)nn1 ZINC000656469010 431396396 /nfs/dbraw/zinc/39/63/96/431396396.db2.gz YMMOTPFXSLXTMK-DLBZAZTESA-N 2 0 313.449 2.600 20 0 DFADRP COc1cccc2c1CC[C@H]([NH2+][C@H]1CC[NH2+]C3(CCC3)C1)C2 ZINC000666993754 431437971 /nfs/dbraw/zinc/43/79/71/431437971.db2.gz HGPQFLGTPAJTCJ-HOTGVXAUSA-N 2 0 300.446 2.817 20 0 DFADRP C[C@@H](CC(=O)Nc1ccc(F)cc1)[NH2+][C@H]1CC[NH2+]C2(CCC2)C1 ZINC000666995289 431438345 /nfs/dbraw/zinc/43/83/45/431438345.db2.gz JSNNAZPBOIPUSG-BBRMVZONSA-N 2 0 319.424 2.807 20 0 DFADRP COc1ccc(C[C@H](C)[NH2+][C@@H]2CC[NH2+]C3(CCC3)C2)cc1OC ZINC000666995241 431438779 /nfs/dbraw/zinc/43/87/79/431438779.db2.gz HMHWJCLTWGJOLF-GOEBONIOSA-N 2 0 318.461 2.899 20 0 DFADRP CC[N@H+](Cc1ccc(C(=O)N2CCC(C)([NH3+])CC2)cc1)C(C)C ZINC000646993266 431439014 /nfs/dbraw/zinc/43/90/14/431439014.db2.gz PLZYZBIILGLLEG-UHFFFAOYSA-N 2 0 317.477 2.870 20 0 DFADRP CCOc1ccc(C[NH2+][C@H]2CC[NH2+]C3(CCC3)C2)cc1OC ZINC000666999464 431439879 /nfs/dbraw/zinc/43/98/79/431439879.db2.gz KORVNJTZCVULSO-HNNXBMFYSA-N 2 0 304.434 2.858 20 0 DFADRP C[C@@H]1C[NH2+]CC[C@@H]1CN1CC[NH2+]C[C@H]1c1ccccc1Cl ZINC000663495249 431442469 /nfs/dbraw/zinc/44/24/69/431442469.db2.gz WIEIYBDPNLAMBV-CPUCHLNUSA-N 2 0 307.869 2.532 20 0 DFADRP CC[N@H+](C)C[C@H](O)C[NH+]1CCC[C@H](c2cc3ccccc3[nH]2)C1 ZINC000653573733 431443145 /nfs/dbraw/zinc/44/31/45/431443145.db2.gz LGSMODJNISIBBL-IRXDYDNUSA-N 2 0 315.461 2.660 20 0 DFADRP COc1ccc(Br)cc1C[NH2+]CC[C@@H]([NH3+])C(C)C ZINC000663497932 431446207 /nfs/dbraw/zinc/44/62/07/431446207.db2.gz IMWZRWLLOULCLN-CYBMUJFWSA-N 2 0 315.255 2.921 20 0 DFADRP C[NH2+]CCCC(=O)N1CCC([NH2+][C@@H](C)CCCC(C)C)CC1 ZINC000663506090 431448403 /nfs/dbraw/zinc/44/84/03/431448403.db2.gz PMXXNAMFCGTLSR-INIZCTEOSA-N 2 0 311.514 2.781 20 0 DFADRP NC(=O)[C@H]1CCCN1C1CC[NH+](CCC2CCCCCC2)CC1 ZINC000653588103 431448943 /nfs/dbraw/zinc/44/89/43/431448943.db2.gz DPSYWMDRBQRZJL-GOSISDBHSA-N 2 0 321.509 2.761 20 0 DFADRP C[C@@H]([NH2+]Cc1cccc(NC(=O)C2CCC2)c1)[C@@H]1CCC[NH2+]C1 ZINC000667027790 431449715 /nfs/dbraw/zinc/44/97/15/431449715.db2.gz JMQJVGNGURGHMP-RHSMWYFYSA-N 2 0 315.461 2.903 20 0 DFADRP CCCC[C@@H]1CCC[C@@H]1[NH2+]C1CCN(C(=O)CCC[NH2+]C)CC1 ZINC000663506058 431449721 /nfs/dbraw/zinc/44/97/21/431449721.db2.gz OWJFORGECQCIKA-AEFFLSMTSA-N 2 0 323.525 2.926 20 0 DFADRP C[NH2+]CCCC(=O)N1CCC([NH2+]C2CCC(C)(C)CC2)CC1 ZINC000663506859 431450911 /nfs/dbraw/zinc/45/09/11/431450911.db2.gz WDYOFURHGSODJA-UHFFFAOYSA-N 2 0 309.498 2.535 20 0 DFADRP CC[C@H]([NH2+]CCN(C)CCC[NH+](C)C)c1ccc(F)cc1F ZINC000656681787 431473206 /nfs/dbraw/zinc/47/32/06/431473206.db2.gz LJIKKRUCPYRACT-KRWDZBQOSA-N 2 0 313.436 2.889 20 0 DFADRP C[C@@H]([NH2+]CC1CC[NH+](C2CCOCC2)CC1)c1cccnc1 ZINC000656677490 431473856 /nfs/dbraw/zinc/47/38/56/431473856.db2.gz OWUQVDKJJCSRFH-OAHLLOKOSA-N 2 0 303.450 2.623 20 0 DFADRP Cc1nc2ccccc2n1C1CCN(Cc2cn(C)cn2)CC1 ZINC000660452332 431436117 /nfs/dbraw/zinc/43/61/17/431436117.db2.gz SMNNYCRJUFDHAT-UHFFFAOYSA-N 2 0 309.417 2.915 20 0 DFADRP Cc1[nH+]ccc(N2CCC[C@H]([C@H]3C[C@H]([NH3+])CCO3)C2)c1Cl ZINC000650296687 431517063 /nfs/dbraw/zinc/51/70/63/431517063.db2.gz JXZFPYXUTIFGQN-GZBFAFLISA-N 2 0 309.841 2.766 20 0 DFADRP C[C@@H]1CCCN(c2cc(NCCC3CC[NH2+]CC3)ncn2)C1 ZINC000650311964 431520463 /nfs/dbraw/zinc/52/04/63/431520463.db2.gz HGOAURPXUXLEFW-CQSZACIVSA-N 2 0 303.454 2.515 20 0 DFADRP c1cc2c(cc1C[N@@H+]1CCC[C@@H](C3CC[NH2+]CC3)C1)C[NH2+]CC2 ZINC000656783325 431521063 /nfs/dbraw/zinc/52/10/63/431521063.db2.gz PEACTAKIIXGTOV-LJQANCHMSA-N 3 0 313.489 2.544 20 0 DFADRP Clc1ccccc1N1CC[C@@H](C[NH2+][C@@H]2CCC[NH2+]CC2)C1 ZINC000656787359 431521707 /nfs/dbraw/zinc/52/17/07/431521707.db2.gz IHNHBJWZHGZDKN-LSDHHAIUSA-N 2 0 307.869 2.898 20 0 DFADRP c1cc(C[NH+]2CCN([C@H]3CC[NH2+]C3)CC2)cc(C2CCCC2)c1 ZINC000656786597 431522576 /nfs/dbraw/zinc/52/25/76/431522576.db2.gz NZJYOWQKQKOAOW-FQEVSTJZSA-N 2 0 313.489 2.824 20 0 DFADRP Cn1c2ccccc2nc1C[N@@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000656786516 431523056 /nfs/dbraw/zinc/52/30/56/431523056.db2.gz TZNJHQMTONUGAB-MRXNPFEDSA-N 2 0 312.461 2.785 20 0 DFADRP CC[N@H+](C)C[C@@H](O)CN1CCCC[C@H]1Cc1ccccc1F ZINC000653779278 431524593 /nfs/dbraw/zinc/52/45/93/431524593.db2.gz SKPSFGWMDAMHHS-DLBZAZTESA-N 2 0 308.441 2.535 20 0 DFADRP C[C@@H]1C[C@H]([NH2+]C[C@@H]2C[N@H+](C)C[C@H]2c2ccccc2)C[C@H](C)O1 ZINC000647249389 431528286 /nfs/dbraw/zinc/52/82/86/431528286.db2.gz WXIGCEOQLPSQOB-PHAGKYIGSA-N 2 0 302.462 2.877 20 0 DFADRP c1ccc(C[N@@H+]2CCC[C@H](c3nc([C@@H]4CCC[NH2+]4)no3)C2)cc1 ZINC000647151387 431481568 /nfs/dbraw/zinc/48/15/68/431481568.db2.gz DPNYIWVYRPDZEU-HOTGVXAUSA-N 2 0 312.417 2.874 20 0 DFADRP CC[NH+](CC)CCOc1ccccc1C[NH2+][C@H]1CO[C@@H](C)C1 ZINC000647171911 431492414 /nfs/dbraw/zinc/49/24/14/431492414.db2.gz AEFXEXMWNSBCTM-DOTOQJQBSA-N 2 0 306.450 2.674 20 0 DFADRP CC[N@H+](C)C[C@H]1CCN(Cc2ccc(C(C)C)cc(=O)c2O)C1 ZINC000663829477 431557225 /nfs/dbraw/zinc/55/72/25/431557225.db2.gz RAQUWRJWDHXPOQ-OAHLLOKOSA-N 2 0 318.461 2.649 20 0 DFADRP CC[C@H]([NH2+]C[C@@H]1C[N@H+](C)C[C@H]1c1ccccc1)[C@H]1CCOC1 ZINC000647343907 431559988 /nfs/dbraw/zinc/55/99/88/431559988.db2.gz FSKVJLJXCXNMGH-RDGPPVDQSA-N 2 0 302.462 2.737 20 0 DFADRP CC[N@@H+]1CC[C@H](NC[C@@H]2C[NH+](C)C[C@H]2c2ccccc2)[C@@H](C)C1 ZINC000647343970 431560285 /nfs/dbraw/zinc/56/02/85/431560285.db2.gz GTFJNXSCJSSPBN-RNQOJCNYSA-N 2 0 315.505 2.652 20 0 DFADRP CC[NH+]1CCN([C@@H](C)C[NH2+][C@H](CC(C)C)c2ccncc2)CC1 ZINC000647282691 431536105 /nfs/dbraw/zinc/53/61/05/431536105.db2.gz MHXCVKFAFAGRIR-PKOBYXMFSA-N 2 0 318.509 2.784 20 0 DFADRP CC(C)C[C@@H]([NH2+]C[C@@H](C)CN1CC[NH+](C)CC1)c1ccncc1 ZINC000647287759 431540154 /nfs/dbraw/zinc/54/01/54/431540154.db2.gz RPGMRIBCPZEQSF-IEBWSBKVSA-N 2 0 318.509 2.642 20 0 DFADRP CC(C)C[C@H]([NH2+]CCCN1CCC[N@H+](C)CC1)c1ccncc1 ZINC000647288250 431540393 /nfs/dbraw/zinc/54/03/93/431540393.db2.gz VSLSLOSFUKJMIC-IBGZPJMESA-N 2 0 318.509 2.786 20 0 DFADRP C[C@H]([NH2+]Cc1ccc2c(c1)OC(F)(F)O2)C1CC[NH+](C)CC1 ZINC000647316780 431546373 /nfs/dbraw/zinc/54/63/73/431546373.db2.gz RFCZTDOGXMDGTN-NSHDSACASA-N 2 0 312.360 2.828 20 0 DFADRP CC(C)[C@H](C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C)[NH+]1CCCCC1 ZINC000080718313 280168339 /nfs/dbraw/zinc/16/83/39/280168339.db2.gz GPRXUWOPRZFBKA-HQSKLWIPSA-N 2 0 321.509 2.628 20 0 DFADRP CC(C)[C@H](C[NH3+])C(=O)NCC1([NH+]2CCCCC2)CCCCC1 ZINC000236651214 280236330 /nfs/dbraw/zinc/23/63/30/280236330.db2.gz JKARUVSLTCTGMC-INIZCTEOSA-N 2 0 309.498 2.522 20 0 DFADRP C[N@@H+]1CCN(c2[nH+]ccc3[nH]ccc32)C[C@H]1Cc1ccccc1 ZINC000663887203 431579853 /nfs/dbraw/zinc/57/98/53/431579853.db2.gz DURBSRIWCBKOJN-MRXNPFEDSA-N 2 0 306.413 2.926 20 0 DFADRP C[N@@H+]1CCN(c2[nH+]ccc3[nH]ccc32)C[C@@H]1Cc1ccccc1 ZINC000663887202 431580538 /nfs/dbraw/zinc/58/05/38/431580538.db2.gz DURBSRIWCBKOJN-INIZCTEOSA-N 2 0 306.413 2.926 20 0 DFADRP COCc1cccc(C[N@@H+]2CCC[C@H]([C@H]3C[C@@H]([NH3+])CCO3)C2)c1 ZINC000650707015 431652314 /nfs/dbraw/zinc/65/23/14/431652314.db2.gz WYNVZDMPJBHJBE-GBESFXJTSA-N 2 0 318.461 2.551 20 0 DFADRP Cc1ccc(C[N@@H+]2CCC[C@H]([C@H]3C[C@H]([NH3+])CCO3)C2)cc1F ZINC000650707138 431653319 /nfs/dbraw/zinc/65/33/19/431653319.db2.gz ZGXSVDBAQKJXOP-LZLYRXPVSA-N 2 0 306.425 2.852 20 0 DFADRP [NH3+][C@@H]1CCO[C@H]([C@H]2CCC[N@H+](Cc3c(F)cccc3F)C2)C1 ZINC000650705672 431653791 /nfs/dbraw/zinc/65/37/91/431653791.db2.gz QFTJBRXEIAMZNT-AHIWAGSCSA-N 2 0 310.388 2.683 20 0 DFADRP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+]1CCC[C@@H](C)[C@H]1CC[NH3+] ZINC000650711203 431657571 /nfs/dbraw/zinc/65/75/71/431657571.db2.gz LJRNXCNGGVPNNS-RDTXWAMCSA-N 3 0 313.449 2.525 20 0 DFADRP COc1ccc(-c2ccncc2)cc1C[NH2+]CCC1(C[NH3+])CC1 ZINC000650713782 431658692 /nfs/dbraw/zinc/65/86/92/431658692.db2.gz BNCMKXBWTQXFGI-UHFFFAOYSA-N 2 0 311.429 2.976 20 0 DFADRP CC[C@@H]1C[N@H+](Cc2ccc(Oc3cnccn3)cc2)CC[C@H]1[NH3+] ZINC000647499086 431609524 /nfs/dbraw/zinc/60/95/24/431609524.db2.gz ZGEJTZRKULLNMX-NVXWUHKLSA-N 2 0 312.417 2.828 20 0 DFADRP [NH3+]CC1(CC[NH2+]Cc2c(F)cccc2Br)CC1 ZINC000650714000 431660527 /nfs/dbraw/zinc/66/05/27/431660527.db2.gz MLNBMVARIGYSJG-UHFFFAOYSA-N 2 0 301.203 2.807 20 0 DFADRP CC[C@@H]1C[N@H+](Cc2cccc(OCCCOC)c2)CC[C@H]1[NH3+] ZINC000647498850 431610438 /nfs/dbraw/zinc/61/04/38/431610438.db2.gz RYFLDMXXMMFVHP-SJLPKXTDSA-N 2 0 306.450 2.661 20 0 DFADRP C[C@@H]1C[C@@H](C[NH3+])C[N@@H+]1Cc1cnn(Cc2ccccc2Cl)c1 ZINC000647509238 431610984 /nfs/dbraw/zinc/61/09/84/431610984.db2.gz XAWUUMOMMWHIBK-KGLIPLIRSA-N 2 0 318.852 2.754 20 0 DFADRP [NH3+]CC1(CC[NH2+]Cc2ccc(Br)c(F)c2)CC1 ZINC000650712507 431660584 /nfs/dbraw/zinc/66/05/84/431660584.db2.gz GYDFOKHVVLZOPJ-UHFFFAOYSA-N 2 0 301.203 2.807 20 0 DFADRP [NH3+]CC1(CC[NH2+]Cc2cnn(Cc3ccccc3Cl)c2)CC1 ZINC000650711981 431660631 /nfs/dbraw/zinc/66/06/31/431660631.db2.gz LOGAMIXOPYYLGS-UHFFFAOYSA-N 2 0 318.852 2.803 20 0 DFADRP C[C@@]1(C[NH+]2CCC(OCc3ccccc3F)CC2)CC[NH2+]C1 ZINC000647538538 431621409 /nfs/dbraw/zinc/62/14/09/431621409.db2.gz XBCBKJKMTZOVBO-GOSISDBHSA-N 2 0 306.425 2.806 20 0 DFADRP c1cc(C[N@@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)c2c(c1)OCCO2 ZINC000647544165 431625591 /nfs/dbraw/zinc/62/55/91/431625591.db2.gz XSBYUNKTSWARFZ-CVEARBPZSA-N 2 0 316.445 2.669 20 0 DFADRP [NH3+][C@@H]1CCO[C@H]1C1CC[NH+](Cc2cscc2Cl)CC1 ZINC000647544964 431625763 /nfs/dbraw/zinc/62/57/63/431625763.db2.gz RFWLUXYWTPJBAZ-KGLIPLIRSA-N 2 0 300.855 2.730 20 0 DFADRP c1cc2c(c(C[N@@H+]3CCC[C@H]([C@H]4CCC[NH2+]C4)C3)c1)OCO2 ZINC000647542942 431626131 /nfs/dbraw/zinc/62/61/31/431626131.db2.gz FAVXDTGZRLBEBL-GJZGRUSLSA-N 2 0 302.418 2.627 20 0 DFADRP CC[NH+]1CCN(c2ccc(N[C@H]3C[NH2+]C[C@H](C)C3)c(C)c2)CC1 ZINC000647547760 431628573 /nfs/dbraw/zinc/62/85/73/431628573.db2.gz CFRQWYCPQJCEIB-NVXWUHKLSA-N 2 0 316.493 2.547 20 0 DFADRP c1coc(-c2nc(C[NH2+][C@@H]3CC[C@@H]4C[NH2+]C[C@H]4C3)cs2)c1 ZINC000647549911 431629072 /nfs/dbraw/zinc/62/90/72/431629072.db2.gz XLTXMHMXSMBQBX-JHJVBQTASA-N 2 0 303.431 2.881 20 0 DFADRP C[C@H]1C[C@H](C)C[NH+](CCCC[NH2+]Cc2cnc3n2CCC3)C1 ZINC000657313865 431669016 /nfs/dbraw/zinc/66/90/16/431669016.db2.gz WLQQJASKBBZSGL-HOTGVXAUSA-N 2 0 304.482 2.677 20 0 DFADRP CCOc1ccc(C[NH2+]CCCC[NH+]2CCOCC2)c(C)c1 ZINC000657312981 431669745 /nfs/dbraw/zinc/66/97/45/431669745.db2.gz OLIIPFMTTDCKOR-UHFFFAOYSA-N 2 0 306.450 2.596 20 0 DFADRP Cc1cc(C(F)(F)F)cc(NCCN(C)CCC[NH+](C)C)n1 ZINC000664245364 431712914 /nfs/dbraw/zinc/71/29/14/431712914.db2.gz PGEPWRXHCUEIEH-UHFFFAOYSA-N 2 0 318.387 2.704 20 0 DFADRP Cn1ncc(C(F)(F)F)c1CNC1CC[NH+](C(C)(C)C)CC1 ZINC000657316923 431673612 /nfs/dbraw/zinc/67/36/12/431673612.db2.gz MMUAGTILAJQUJM-UHFFFAOYSA-N 2 0 318.387 2.791 20 0 DFADRP C[C@@H](CNCc1c(C(F)(F)F)cnn1C)C[NH+]1CCCCC1 ZINC000657317107 431673937 /nfs/dbraw/zinc/67/39/37/431673937.db2.gz QFWPAEJFKUTWDH-LBPRGKRZSA-N 2 0 318.387 2.651 20 0 DFADRP C[C@@H](Cc1ccccc1)[NH+]1CCC([NH2+]CCC2(C[NH3+])CC2)CC1 ZINC000650747703 431676899 /nfs/dbraw/zinc/67/68/99/431676899.db2.gz GACGQMQTPRPGAC-KRWDZBQOSA-N 3 0 315.505 2.801 20 0 DFADRP C[C@H]([NH2+]CCC1(C[NH3+])CC1)c1ccc(-n2cncn2)cc1Cl ZINC000650745912 431677667 /nfs/dbraw/zinc/67/76/67/431677667.db2.gz QUFVGNHSLJATMO-LBPRGKRZSA-N 2 0 319.840 2.700 20 0 DFADRP C[C@H]([NH2+]CCC1(C[NH3+])CC1)c1ncc(Br)s1 ZINC000650745611 431677983 /nfs/dbraw/zinc/67/79/83/431677983.db2.gz KNGBVAUFTCUNKG-QMMMGPOBSA-N 2 0 304.257 2.685 20 0 DFADRP [NH3+]Cc1ccc(C[NH2+][C@@H]2CCCC[C@H]2[C@@H]2CCOC2)c(F)c1 ZINC000650755009 431681533 /nfs/dbraw/zinc/68/15/33/431681533.db2.gz WVBSTAJNVQLTEK-SOLBZPMBSA-N 2 0 306.425 2.969 20 0 DFADRP Cc1c(Br)cncc1C[NH2+]CCCC[NH+](C)C ZINC000657334545 431683396 /nfs/dbraw/zinc/68/33/96/431683396.db2.gz CQKVMSLXYYZJGJ-UHFFFAOYSA-N 2 0 300.244 2.584 20 0 DFADRP CCc1ccc([C@H](C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)N(C)C)cc1 ZINC000647785783 431683944 /nfs/dbraw/zinc/68/39/44/431683944.db2.gz FJHJOVHVOAUHCW-WTGUMLROSA-N 2 0 315.505 2.829 20 0 DFADRP CCN(CCC[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1)c1ccccc1 ZINC000647788067 431684573 /nfs/dbraw/zinc/68/45/73/431684573.db2.gz BVJGSDLMGCCPNM-KZNAEPCWSA-N 2 0 301.478 2.881 20 0 DFADRP CCO[C@@H]1C[C@H]([NH2+]CCC2CC[NH2+]CC2)[C@H]1Oc1ccccc1 ZINC000650762866 431685207 /nfs/dbraw/zinc/68/52/07/431685207.db2.gz MPJRKJUHNHQFCC-IPMKNSEASA-N 2 0 318.461 2.591 20 0 DFADRP C[C@@H]([NH2+]CCc1ccc2c(c1)OC(F)(F)O2)[C@H]1CCC[NH2+]C1 ZINC000650760898 431685215 /nfs/dbraw/zinc/68/52/15/431685215.db2.gz OIWPVCVACKIKKH-YPMHNXCESA-N 2 0 312.360 2.528 20 0 DFADRP C[C@H]([NH2+]CCC1CC[NH2+]CC1)c1ccc2c(c1)CCC(=O)N2 ZINC000650764273 431685917 /nfs/dbraw/zinc/68/59/17/431685917.db2.gz VALAFLZNXILDIV-ZDUSSCGKSA-N 2 0 301.434 2.612 20 0 DFADRP COc1ccc(CCC2CC[NH+](C[C@@H]3CC[NH2+]C3)CC2)cc1 ZINC000647874359 431713344 /nfs/dbraw/zinc/71/33/44/431713344.db2.gz NFVWOMYVVOCGGC-GOSISDBHSA-N 2 0 302.462 2.949 20 0 DFADRP FC(F)COc1cccc(C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000647791503 431686842 /nfs/dbraw/zinc/68/68/42/431686842.db2.gz FWUXJCRVQUNQCD-SOUVJXGZSA-N 2 0 310.388 2.808 20 0 DFADRP Fc1ccc(N2CC[C@H]([NH2+][C@@H]3CC[C@@H]4C[NH2+]C[C@H]4C3)C2)c(F)c1 ZINC000647790102 431687045 /nfs/dbraw/zinc/68/70/45/431687045.db2.gz RJPNVVJJXXPVPZ-XOUADPBQSA-N 2 0 321.415 2.521 20 0 DFADRP COc1ccc(COCCC[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000647789399 431687239 /nfs/dbraw/zinc/68/72/39/431687239.db2.gz DBAGBZNBFNZZTL-RCCFBDPRSA-N 2 0 318.461 2.580 20 0 DFADRP Fc1cc(F)c(F)c(C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)c1F ZINC000647789591 431688304 /nfs/dbraw/zinc/68/83/04/431688304.db2.gz HQZQDPLYZIWHDZ-OPRDCNLKSA-N 2 0 302.315 2.721 20 0 DFADRP Clc1ccc(COCC[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC000647794277 431688865 /nfs/dbraw/zinc/68/88/65/431688865.db2.gz WYAMOGWHSLLDKA-YQQAZPJKSA-N 2 0 308.853 2.834 20 0 DFADRP C[C@H]([NH2+]CCC1CC[NH2+]CC1)c1cnn(Cc2ccccc2)c1 ZINC000650764326 431688881 /nfs/dbraw/zinc/68/88/81/431688881.db2.gz WFPQKAFELVMQTQ-INIZCTEOSA-N 2 0 312.461 2.972 20 0 DFADRP COc1cc(C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)c2ccccc2n1 ZINC000647793196 431689117 /nfs/dbraw/zinc/68/91/17/431689117.db2.gz PHKBHAKDPNJGDE-IIAWOOMASA-N 2 0 311.429 2.721 20 0 DFADRP C[C@H](O)[C@](C)(C[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1)Cc1ccccc1 ZINC000647795799 431690335 /nfs/dbraw/zinc/69/03/35/431690335.db2.gz WGZJOQWOWPVMLE-FKICDVMDSA-N 2 0 316.489 2.594 20 0 DFADRP COCCN1CCC[C@H]1C[NH2+]Cc1cccc(OC2CC2)c1F ZINC000657345871 431690779 /nfs/dbraw/zinc/69/07/79/431690779.db2.gz SMQBMBQQYJEYQR-HNNXBMFYSA-N 2 0 322.424 2.567 20 0 DFADRP C[C@@H](C[N@H+](C)CCC[NH+](C)C)Nc1nccc2c(N)cccc21 ZINC000664194988 431691647 /nfs/dbraw/zinc/69/16/47/431691647.db2.gz JEMCQQLBVYXRCG-AWEZNQCLSA-N 2 0 315.465 2.501 20 0 DFADRP c1ccc2c(c1)O[C@H](CC[NH2+][C@@H]1CC[C@H]3C[NH2+]C[C@H]3C1)CS2 ZINC000647801117 431692036 /nfs/dbraw/zinc/69/20/36/431692036.db2.gz OGGYKVISFJMPMF-ZJIFWQFVSA-N 2 0 318.486 2.908 20 0 DFADRP Fc1ccccc1N1CC[C@H](C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)C1 ZINC000647798807 431692375 /nfs/dbraw/zinc/69/23/75/431692375.db2.gz XQTGOYRMJVSKOK-LTIDMASMSA-N 2 0 317.452 2.630 20 0 DFADRP FC(F)(F)c1ccnc(CC[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000647798964 431692459 /nfs/dbraw/zinc/69/24/59/431692459.db2.gz ZTMZBTHMVCBMRE-SGMGOOAPSA-N 2 0 313.367 2.621 20 0 DFADRP CCOc1ccc(C[NH2+]CCCN2CCC[N@H+](C)CC2)c(C)c1 ZINC000657349746 431693498 /nfs/dbraw/zinc/69/34/98/431693498.db2.gz LDGCSVWOPQIFKX-UHFFFAOYSA-N 2 0 319.493 2.511 20 0 DFADRP COC[C@H](C)Oc1ccc(C[NH2+]CCC2CC[NH+](C)CC2)cc1 ZINC000657348153 431693936 /nfs/dbraw/zinc/69/39/36/431693936.db2.gz MGNMXZRDGSNVAF-INIZCTEOSA-N 2 0 320.477 2.922 20 0 DFADRP Cc1cccc2nc(CC[NH2+][C@@H](Cc3ccccc3)[C@@H](C)[NH3+])cn21 ZINC000647804585 431694091 /nfs/dbraw/zinc/69/40/91/431694091.db2.gz VCUVZDMXNGVFDZ-APWZRJJASA-N 2 0 322.456 2.733 20 0 DFADRP CC[C@@H]1C[C@H]([NH2+]C[C@H]2CC[N@H+](CCc3ccccc3)C2)CO1 ZINC000657354587 431695870 /nfs/dbraw/zinc/69/58/70/431695870.db2.gz SGDUOQUITZXMRF-CEXWTWQISA-N 2 0 302.462 2.708 20 0 DFADRP c1ccc(CCOCCC[N@H+](C2CC2)C2CC[NH2+]CC2)cc1 ZINC000647814846 431695937 /nfs/dbraw/zinc/69/59/37/431695937.db2.gz IMDJFIIGRKOFDQ-UHFFFAOYSA-N 2 0 302.462 2.852 20 0 DFADRP CCOc1ccc(C[NH2+]CCCC[N@@H+]2CCC[C@@H]2CO)c(C)c1 ZINC000657357201 431699186 /nfs/dbraw/zinc/69/91/86/431699186.db2.gz YXPICNFHROMLSG-GOSISDBHSA-N 2 0 320.477 2.720 20 0 DFADRP CO[C@H](C[NH2+]Cc1cnc2n1CCC2)c1cccc(Cl)c1 ZINC000657382020 431713697 /nfs/dbraw/zinc/71/36/97/431713697.db2.gz RJEPZDZFRBVTCV-OAHLLOKOSA-N 2 0 305.809 2.960 20 0 DFADRP Cc1cc(CO)cc(N2CC[C@@H](CNc3cccc(C)[nH+]3)C2)n1 ZINC000647864529 431711046 /nfs/dbraw/zinc/71/10/46/431711046.db2.gz FZAZWFCUIVEZKX-HNNXBMFYSA-N 2 0 312.417 2.524 20 0 DFADRP COCCOc1cccc(C[NH2+]Cc2ccc(C[NH3+])cc2F)c1 ZINC000650718403 431663044 /nfs/dbraw/zinc/66/30/44/431663044.db2.gz KSWAYBJFYFXPLH-UHFFFAOYSA-N 2 0 318.392 2.599 20 0 DFADRP CO[C@@](C)(C[N@@H+]1CC[C@H](CN(C)Cc2cccnc2)C1)C1CC1 ZINC000647912756 431725494 /nfs/dbraw/zinc/72/54/94/431725494.db2.gz YWKZBMPTBZNJDJ-MJGOQNOKSA-N 2 0 317.477 2.650 20 0 DFADRP O[C@H]1CCCC[C@@H]1CCC[NH2+]Cc1ccnn1-c1cc[nH+]cc1 ZINC000657403011 431730037 /nfs/dbraw/zinc/73/00/37/431730037.db2.gz OJILFIBHKPSMAN-QAPCUYQASA-N 2 0 314.433 2.688 20 0 DFADRP CC1([NH3+])CC[NH+](CCC(=O)Nc2ccc(Cl)cc2F)CC1 ZINC000647926834 431731452 /nfs/dbraw/zinc/73/14/52/431731452.db2.gz OIBPGBCLQCGIFC-UHFFFAOYSA-N 2 0 313.804 2.621 20 0 DFADRP C[C@@H]([NH2+]Cc1cnn2c1CCC2)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000657429190 431743470 /nfs/dbraw/zinc/74/34/70/431743470.db2.gz DSOJNRWBWHSJPJ-SJLPKXTDSA-N 2 0 324.472 2.830 20 0 DFADRP C[C@H]1C[C@@H](CC[NH2+]Cc2ccnn2-c2cc[nH+]cc2)CCO1 ZINC000657432833 431748436 /nfs/dbraw/zinc/74/84/36/431748436.db2.gz VSSNWBCEERKITI-GJZGRUSLSA-N 2 0 300.406 2.562 20 0 DFADRP Fc1cccc([C@H]2C[NH2+]CCN2CCCC2CC[NH2+]CC2)c1 ZINC000647953317 431748656 /nfs/dbraw/zinc/74/86/56/431748656.db2.gz IGAKPENZRUHUAB-GOSISDBHSA-N 2 0 305.441 2.552 20 0 DFADRP CC[N@H+](C)C[C@H]1CC[NH+](C[C@@H]2CCCN(C(=O)C(C)(C)C)C2)C1 ZINC000647966567 431753279 /nfs/dbraw/zinc/75/32/79/431753279.db2.gz ZJKBHSOPIRPCLN-DLBZAZTESA-N 2 0 323.525 2.545 20 0 DFADRP C[C@@H](O)[C@@](C)(C[NH2+]Cc1cnc2n1CCC2)Cc1ccccc1 ZINC000657447630 431757623 /nfs/dbraw/zinc/75/76/23/431757623.db2.gz OWSFZRQZEUWUHU-DNVCBOLYSA-N 2 0 313.445 2.549 20 0 DFADRP CN(CCC[NH+](C)C)CCNc1cc[nH+]c2cc(F)ccc12 ZINC000664248187 431717001 /nfs/dbraw/zinc/71/70/01/431717001.db2.gz PJZUVZSNYLIDGD-UHFFFAOYSA-N 2 0 304.413 2.669 20 0 DFADRP CO[C@@]1(C)C[C@@H]([NH2+]Cc2ccnn2-c2cc[nH+]cc2)C1(C)C ZINC000657383873 431718282 /nfs/dbraw/zinc/71/82/82/431718282.db2.gz LQKHMNGOPGQOAN-WBVHZDCISA-N 2 0 300.406 2.561 20 0 DFADRP OCC[N@H+](CCCC1CC[NH2+]CC1)[C@@H]1CCc2ccccc21 ZINC000647884943 431719115 /nfs/dbraw/zinc/71/91/15/431719115.db2.gz OJBSJXJQBJFVDM-LJQANCHMSA-N 2 0 302.462 2.748 20 0 DFADRP c1nc2n(c1C[NH2+]CCNc1ccc3ccccc3n1)CCC2 ZINC000657390799 431720359 /nfs/dbraw/zinc/72/03/59/431720359.db2.gz HOXFXPKZNLZUFN-UHFFFAOYSA-N 2 0 307.401 2.579 20 0 DFADRP CC(C)(O)C[NH+]1CCC([NH2+][C@@H]2CCc3c2cccc3F)CC1 ZINC000647908948 431723161 /nfs/dbraw/zinc/72/31/61/431723161.db2.gz ACWSGAHIJPFFIM-QGZVFWFLSA-N 2 0 306.425 2.638 20 0 DFADRP CCC(C)(C)[C@@H](C)[NH2+]CC(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000661230727 431788399 /nfs/dbraw/zinc/78/83/99/431788399.db2.gz CORTYXGKNMMBBT-NVXWUHKLSA-N 2 0 319.493 2.820 20 0 DFADRP CCOC1(C[NH2+]Cc2ccnn2-c2cc[nH+]cc2)CCCC1 ZINC000657475539 431773528 /nfs/dbraw/zinc/77/35/28/431773528.db2.gz WQIXZQKGFPZRFV-UHFFFAOYSA-N 2 0 300.406 2.706 20 0 DFADRP CC(C)[C@H]1C[C@@H](C[NH2+]Cc2ccnn2-c2cc[nH+]cc2)CCO1 ZINC000657481793 431776800 /nfs/dbraw/zinc/77/68/00/431776800.db2.gz KQTHKAYXVHKXLA-MAUKXSAKSA-N 2 0 314.433 2.808 20 0 DFADRP Cc1ccc(C[NH2+]Cc2ccc(C[N@@H+]3CC[C@@H](O)C3)cc2)s1 ZINC000657594952 431820802 /nfs/dbraw/zinc/82/08/02/431820802.db2.gz LPDHGGUQCMJXEM-QGZVFWFLSA-N 2 0 316.470 2.913 20 0 DFADRP Cc1noc(C)c1C[NH2+]CC1CC[NH+](Cc2ccncc2)CC1 ZINC000657613320 431825538 /nfs/dbraw/zinc/82/55/38/431825538.db2.gz YFUDTOAQDCMUPA-UHFFFAOYSA-N 2 0 314.433 2.688 20 0 DFADRP [NH3+]C1CCC(C(=O)Nc2cccc(CC[NH+]3CCCC3)c2)CC1 ZINC000648154310 431826451 /nfs/dbraw/zinc/82/64/51/431826451.db2.gz UNJNAZNUARUNFZ-UHFFFAOYSA-N 2 0 315.461 2.781 20 0 DFADRP C[C@@H](COc1c(F)cccc1F)[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000657629090 431828231 /nfs/dbraw/zinc/82/82/31/431828231.db2.gz ZTOHCZUSFCHDIV-MJBXVCDLSA-N 2 0 310.388 2.949 20 0 DFADRP Cc1ccc([C@H](O)C[NH+]2CCC(C[NH+]3CCCC3)CC2)cc1 ZINC000171138692 280993451 /nfs/dbraw/zinc/99/34/51/280993451.db2.gz OQELIEAFFGHBFS-LJQANCHMSA-N 2 0 302.462 2.836 20 0 DFADRP Cc1cccc2c1CC[C@@H]2[NH2+]C1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000358304387 281269485 /nfs/dbraw/zinc/26/94/85/281269485.db2.gz RWANGIWOKXLHLG-XUVXKRRUSA-N 2 0 314.473 2.950 20 0 DFADRP C[NH+](C)C1CCN(CC[NH2+]C2CC(C)(c3ccccc3)C2)CC1 ZINC000294354315 282051524 /nfs/dbraw/zinc/05/15/24/282051524.db2.gz ZMTWGSKQBXNVSO-UHFFFAOYSA-N 2 0 315.505 2.722 20 0 DFADRP COc1cc([C@@H](C)[NH2+]CCCN2CCC[N@H+](C)CC2)ccc1F ZINC000153620906 289052871 /nfs/dbraw/zinc/05/28/71/289052871.db2.gz MQNSYXKSQSIJTA-OAHLLOKOSA-N 2 0 323.456 2.513 20 0 DFADRP CC(C)C[C@@H](C[NH3+])NC(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C ZINC000415786101 289137536 /nfs/dbraw/zinc/13/75/36/289137536.db2.gz JBJSAJAGIDAYDX-RDJZCZTQSA-N 2 0 318.465 2.730 20 0 DFADRP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@@H+]2CCSC(C)(C)C ZINC000370172469 289322572 /nfs/dbraw/zinc/32/25/72/289322572.db2.gz KXJBGRZZISFUGP-RBSFLKMASA-N 2 0 300.512 2.702 20 0 DFADRP C[C@H](C(=O)NC1CC1)[NH+]1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000357015200 289344427 /nfs/dbraw/zinc/34/44/27/289344427.db2.gz OVFURNXWNKZGNE-HZPDHXFCSA-N 2 0 321.509 2.630 20 0 DFADRP C[NH+]1CCC(O)(C[NH2+][C@H](c2ccccc2)C2CCCC2)CC1 ZINC000359321726 289888482 /nfs/dbraw/zinc/88/84/82/289888482.db2.gz LRBZRUOUFIFGSC-GOSISDBHSA-N 2 0 302.462 2.964 20 0 DFADRP C[C@H]([NH2+][C@H](CO)C1CCCC1)c1ccc(OCC[NH+](C)C)cc1 ZINC000290112136 290036096 /nfs/dbraw/zinc/03/60/96/290036096.db2.gz ITNOWVALWQYDJI-HNAYVOBHSA-N 2 0 320.477 2.829 20 0 DFADRP C[NH+]1CCN(C[C@@H]2CCC[N@@H+]([C@@H]3C[C@@H]3c3ccccc3)C2)CC1 ZINC000368260272 290045479 /nfs/dbraw/zinc/04/54/79/290045479.db2.gz IXIRMPQOPYOJQR-DFQSSKMNSA-N 2 0 313.489 2.502 20 0 DFADRP C[C@H](N[C@H]1C[N@@H+](C2CC2)C[C@H]1C)[C@@H]1CCC[NH+](C2CCC2)C1 ZINC000358464560 290058830 /nfs/dbraw/zinc/05/88/30/290058830.db2.gz DYIMYPPGYCVZMH-OLMMMNRUSA-N 2 0 305.510 2.712 20 0 DFADRP C[C@H](O)C[NH+]1CCC(C[N@H+](C)[C@H]2C[C@H]2c2ccccc2)CC1 ZINC000274520059 290085059 /nfs/dbraw/zinc/08/50/59/290085059.db2.gz NTZLKYGPKLTLAN-SNRMKQJTSA-N 2 0 302.462 2.567 20 0 DFADRP Cc1nc(C)c([C@H](C)[NH2+]CCCC[N@@H+]2CCC[C@H]2CO)s1 ZINC000248217543 293245003 /nfs/dbraw/zinc/24/50/03/293245003.db2.gz ZYFHLIZFJYRLBW-WFASDCNBSA-N 2 0 311.495 2.647 20 0 DFADRP O[C@H]1CCCC[C@@H]1CCC[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000436470066 297004427 /nfs/dbraw/zinc/00/44/27/297004427.db2.gz HYJMFHWPEGMESZ-APWZRJJASA-N 2 0 317.477 2.971 20 0 DFADRP COCc1ccc(C[NH2+]C2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC000436481381 297005981 /nfs/dbraw/zinc/00/59/81/297005981.db2.gz ZJUZRAGRNMQSSG-UHFFFAOYSA-N 2 0 311.429 2.987 20 0 DFADRP O=C(NC[C@H]1CCC[N@@H+]1C1CCCCC1)[C@H]1CCC[NH+]1C1CC1 ZINC000437862583 297072351 /nfs/dbraw/zinc/07/23/51/297072351.db2.gz YBQIOQLTOYAEEQ-QZTJIDSGSA-N 2 0 319.493 2.527 20 0 DFADRP [NH3+]C1CCC([NH2+]C2CCN(CCc3ccc(F)cc3)CC2)CC1 ZINC000437802772 297070230 /nfs/dbraw/zinc/07/02/30/297070230.db2.gz RTMSZBDBYBEMKG-UHFFFAOYSA-N 2 0 319.468 2.692 20 0 DFADRP C[C@H](C[NH+]1CCC(OCC[NH+](C)C)CC1)c1ccc(F)cc1 ZINC000438116843 297081024 /nfs/dbraw/zinc/08/10/24/297081024.db2.gz NSBVPQRZYYXXOF-OAHLLOKOSA-N 2 0 308.441 2.972 20 0 DFADRP Cc1cc(C)cc([C@@H](C)[NH2+]CCCC[NH+]2CCN(C)CC2)c1 ZINC000154337770 295297421 /nfs/dbraw/zinc/29/74/21/295297421.db2.gz KHTLGJVBLIFUOK-GOSISDBHSA-N 2 0 303.494 2.982 20 0 DFADRP CC[C@H]([NH2+]CCCC[NH+]1CCN(C)CC1)c1cccc(OC)c1 ZINC000154355537 295297874 /nfs/dbraw/zinc/29/78/74/295297874.db2.gz HQALMDNUKDTGRL-IBGZPJMESA-N 2 0 319.493 2.764 20 0 DFADRP Cc1cccc([C@H](C)[NH2+]CCCC[NH+]2CCN(C)CC2)c1C ZINC000154355191 295298250 /nfs/dbraw/zinc/29/82/50/295298250.db2.gz SKQCCQWQMMBERN-SFHVURJKSA-N 2 0 303.494 2.982 20 0 DFADRP CN1CC[NH+](CCCC[NH2+][C@@H]2CCCc3ccccc32)CC1 ZINC000154422156 295300152 /nfs/dbraw/zinc/30/01/52/295300152.db2.gz YTRSNAGMOIJWQQ-LJQANCHMSA-N 2 0 301.478 2.681 20 0 DFADRP CCN(CC)C(=O)C[NH2+][C@@H](C)c1ccc(-n2ccnc2C)cc1 ZINC000154767861 295306514 /nfs/dbraw/zinc/30/65/14/295306514.db2.gz LTUZFHHSOILGCJ-AWEZNQCLSA-N 2 0 314.433 2.700 20 0 DFADRP Cc1ccc(C[C@H]([NH2+][C@H](C)CN2CC[NH+](C)CC2)C(C)C)cc1 ZINC000155115248 295313191 /nfs/dbraw/zinc/31/31/91/295313191.db2.gz RUESPPPYQOBLTQ-QUCCMNQESA-N 2 0 317.521 2.788 20 0 DFADRP CC[NH+]1CCN([C@H](C)C[NH2+][C@@H](C)c2cc(C)cc(C)c2)CC1 ZINC000155557960 295320709 /nfs/dbraw/zinc/32/07/09/295320709.db2.gz VLLPBQCVJAOKGT-MSOLQXFVSA-N 2 0 303.494 2.980 20 0 DFADRP CC[NH+]1CCN([C@H](C)C[NH2+][C@H](C)c2ccc(C)cc2C)CC1 ZINC000155691364 295323475 /nfs/dbraw/zinc/32/34/75/295323475.db2.gz LSIMVXHKBHTJAZ-QZTJIDSGSA-N 2 0 303.494 2.980 20 0 DFADRP CC[NH+]1CCN([C@H](C)C[NH2+][C@@H](C)c2ccc(C)cc2C)CC1 ZINC000155691203 295323493 /nfs/dbraw/zinc/32/34/93/295323493.db2.gz LSIMVXHKBHTJAZ-MSOLQXFVSA-N 2 0 303.494 2.980 20 0 DFADRP CCC[C@@H]([NH2+]CC1CC[NH+](CCN(C)C)CC1)c1ccccn1 ZINC000159012250 295370672 /nfs/dbraw/zinc/37/06/72/295370672.db2.gz RCTAJKDSCSQZPD-GOSISDBHSA-N 2 0 318.509 2.786 20 0 DFADRP CCC[C@@](C)([NH3+])C(=O)NC1CC[NH+](C2CCC(C)CC2)CC1 ZINC000370763946 295462649 /nfs/dbraw/zinc/46/26/49/295462649.db2.gz SBVMWAHKOGYJAL-JFUPDXTOSA-N 2 0 309.498 2.663 20 0 DFADRP OC1(C[NH2+]C2CCCCC2)CC[NH+](Cc2ccccc2)CC1 ZINC000397499707 295488050 /nfs/dbraw/zinc/48/80/50/295488050.db2.gz VGMJQKZEDXTHNE-UHFFFAOYSA-N 2 0 302.462 2.936 20 0 DFADRP CC[C@H]1CCCC[C@@H]1[NH2+]CC(=O)NC1CC[NH+](C(C)C)CC1 ZINC000411553761 295546615 /nfs/dbraw/zinc/54/66/15/295546615.db2.gz SAHGVXOHHBFSNB-RDJZCZTQSA-N 2 0 309.498 2.534 20 0 DFADRP CC(CC[NH2+][C@H]1CCOC1(C)C)CC[NH2+][C@H]1CCOC1(C)C ZINC000411775198 295558470 /nfs/dbraw/zinc/55/84/70/295558470.db2.gz RCRCLODQAFQAGM-HOTGVXAUSA-N 2 0 312.498 2.717 20 0 DFADRP CSC1(C[NH2+][C@H]2CC(C)(C)OC2(C)C)CC[NH+](C)CC1 ZINC000353611363 295583324 /nfs/dbraw/zinc/58/33/24/295583324.db2.gz OKHDMAJJYZGEFH-ZDUSSCGKSA-N 2 0 300.512 2.750 20 0 DFADRP C[C@H](CNC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1)[NH+]1CCC(C)CC1 ZINC000438558073 297098492 /nfs/dbraw/zinc/09/84/92/297098492.db2.gz ZYALEAJCTZIWJX-AEFFLSMTSA-N 2 0 321.509 2.630 20 0 DFADRP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)N(CC[NH+](C)C)Cc1cccs1 ZINC000439027178 297112414 /nfs/dbraw/zinc/11/24/14/297112414.db2.gz NMNXWOJTQZCGBG-GASCZTMLSA-N 2 0 323.506 2.511 20 0 DFADRP C[NH+](C)C1(CNC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)CCCCC1 ZINC000440156946 297146093 /nfs/dbraw/zinc/14/60/93/297146093.db2.gz PPOSOCXUVOVIER-QGZVFWFLSA-N 2 0 321.509 2.774 20 0 DFADRP CC[C@H](F)C[NH+]1CCC(CC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000440777283 297164360 /nfs/dbraw/zinc/16/43/60/297164360.db2.gz UHVKKNKWCTUAQN-INMHGKMJSA-N 2 0 300.462 2.946 20 0 DFADRP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@@H+]2CCCOc1ccccc1 ZINC000441172507 297174183 /nfs/dbraw/zinc/17/41/83/297174183.db2.gz HEEOMGBHYUSBQM-NZSAHSFTSA-N 2 0 318.461 2.639 20 0 DFADRP C[C@@H]1CCCC[C@@H]1OCC[N@@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@@H]21 ZINC000441245803 297177062 /nfs/dbraw/zinc/17/70/62/297177062.db2.gz NJSDVYRQIFPUMW-ZSXDVEMLSA-N 2 0 324.509 2.765 20 0 DFADRP Cc1cc(C[NH2+]CCN2CC[N@@H+](C)C(C)(C)C2)ccc1Cl ZINC000441351106 297180686 /nfs/dbraw/zinc/18/06/86/297180686.db2.gz IUMDYENJPFOAKY-UHFFFAOYSA-N 2 0 309.885 2.764 20 0 DFADRP C[C@H]1C[C@@H](C[NH3+])C[N@@H+]1CCOc1ccc(C(F)(F)F)cc1 ZINC000442773856 297205273 /nfs/dbraw/zinc/20/52/73/297205273.db2.gz DHEFSXWZFWDGNR-RYUDHWBXSA-N 2 0 302.340 2.753 20 0 DFADRP C[C@H]1C[C@H](C[NH3+])C[N@@H+]1CCc1nc(-c2ccc(Cl)cc2)no1 ZINC000442788780 297206280 /nfs/dbraw/zinc/20/62/80/297206280.db2.gz IZMODPCAWJAIDH-NWDGAFQWSA-N 2 0 320.824 2.602 20 0 DFADRP CC[N@@H+]1CC[C@@H](N(C)Cc2cc(C(F)(F)F)n[nH]2)[C@H](C)C1 ZINC000442886662 297209662 /nfs/dbraw/zinc/20/96/62/297209662.db2.gz TUKDYYSQFAFZTJ-ZYHUDNBSSA-N 2 0 304.360 2.591 20 0 DFADRP Cc1ccc(C)c(NC(=O)[C@H](C)[N@@H+]2CCC[C@@H](CC[NH3+])C2)c1 ZINC000443057049 297213994 /nfs/dbraw/zinc/21/39/94/297213994.db2.gz FDXRERKLRGHBGF-HOTGVXAUSA-N 2 0 303.450 2.691 20 0 DFADRP CSc1ccccc1NC(=O)[C@H](C)[N@@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000443058075 297214047 /nfs/dbraw/zinc/21/40/47/297214047.db2.gz JAEDOUACMNGOEK-KBPBESRZSA-N 2 0 321.490 2.796 20 0 DFADRP [NH3+]CC[C@@H]1CCC[N@H+](CCC(=O)Nc2ccc(Cl)cc2)C1 ZINC000443064233 297214242 /nfs/dbraw/zinc/21/42/42/297214242.db2.gz XSAZAFPYCFUKOC-ZDUSSCGKSA-N 2 0 309.841 2.729 20 0 DFADRP CO[C@H]1CC[N@H+](Cc2cn(-c3cc[nH+]cc3)nc2C)[C@H](C)C1 ZINC000443075771 297215400 /nfs/dbraw/zinc/21/54/00/297215400.db2.gz VXIZFMUXAKSWQF-DYVFJYSZSA-N 2 0 300.406 2.575 20 0 DFADRP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]CCN1CCc2c(Cl)cccc2C1 ZINC000443086849 297215577 /nfs/dbraw/zinc/21/55/77/297215577.db2.gz HRGILBRZYVPQPI-RDTXWAMCSA-N 2 0 321.896 2.628 20 0 DFADRP C[C@@H]1C[C@@H](NC[C@@H](c2ccco2)[NH+]2CCCCC2)CC[N@@H+]1C ZINC000154004574 297283859 /nfs/dbraw/zinc/28/38/59/297283859.db2.gz JLVJKFPHXHJOFG-IKGGRYGDSA-N 2 0 305.466 2.879 20 0 DFADRP Brc1ccc(C[NH2+]CC2CC[NH+](C3CC3)CC2)nc1 ZINC000446882266 297289144 /nfs/dbraw/zinc/28/91/44/297289144.db2.gz BPZCHHQLQFASFK-UHFFFAOYSA-N 2 0 324.266 2.808 20 0 DFADRP COC[C@H]([NH2+]C1CC[NH+]([C@H]2CCCC[C@H]2O)CC1)C1CCCC1 ZINC000446939179 297290633 /nfs/dbraw/zinc/29/06/33/297290633.db2.gz ZTXSKWJXSDJWKE-GBESFXJTSA-N 2 0 324.509 2.549 20 0 DFADRP CC[C@H]([NH2+]CC1CC[NH+](C2CC2)CC1)C1(C(=O)OC)CCC1 ZINC000447563374 297308666 /nfs/dbraw/zinc/30/86/66/297308666.db2.gz FGRHAONBCJQJBG-INIZCTEOSA-N 2 0 308.466 2.572 20 0 DFADRP C[C@@H]([NH2+]CCOCC[NH+](C)C)[C@H](C)c1nc2ccccc2s1 ZINC000447594096 297309980 /nfs/dbraw/zinc/30/99/80/297309980.db2.gz WWTQRXYVPHKUJW-UONOGXRCSA-N 2 0 321.490 2.956 20 0 DFADRP Cc1ccc(OC(F)F)c([C@H](C)[NH2+]CCOCC[NH+](C)C)c1 ZINC000447591660 297310003 /nfs/dbraw/zinc/31/00/03/297310003.db2.gz DZVCXZHJHWYGGU-ZDUSSCGKSA-N 2 0 316.392 2.825 20 0 DFADRP C[C@H]([NH2+]CCOCC[NH+](C)C)c1cccc(-c2ccncc2)c1 ZINC000447602518 297310301 /nfs/dbraw/zinc/31/03/01/297310301.db2.gz SQMXISHJHAOCNV-INIZCTEOSA-N 2 0 313.445 2.977 20 0 DFADRP C[NH+](C)CCOCC[NH2+][C@@H]1CCC[C@H]1CCc1ccccc1 ZINC000447603960 297310705 /nfs/dbraw/zinc/31/07/05/297310705.db2.gz XZQOOQPRAICZRL-RBUKOAKNSA-N 2 0 304.478 2.956 20 0 DFADRP C[C@H](CC[NH2+]C[C@H](O)C[NH+]1CCC(C)CC1)c1ccccc1 ZINC000447822093 297318638 /nfs/dbraw/zinc/31/86/38/297318638.db2.gz PAOAXNRWQDXVQR-MJGOQNOKSA-N 2 0 304.478 2.863 20 0 DFADRP Cc1cccc(CC[N@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@@H]32)c1 ZINC000449048569 297397426 /nfs/dbraw/zinc/39/74/26/297397426.db2.gz PWAKVBHXAMCJOC-CEXWTWQISA-N 2 0 302.462 2.721 20 0 DFADRP C[C@@H]1CC[C@@H](C)[C@H]([NH2+]Cc2ccc(N3CC[NH+](C)CC3)nc2)C1 ZINC000449072392 297400502 /nfs/dbraw/zinc/40/05/02/297400502.db2.gz JZKINRIZTNMNSR-JFIYKMOQSA-N 2 0 316.493 2.748 20 0 DFADRP CC(C)[C@H](C[NH2+]Cc1cccc2ccoc21)N1CC[NH+](C)CC1 ZINC000449075912 297401475 /nfs/dbraw/zinc/40/14/75/297401475.db2.gz NZDUUTKCGCNVQB-SFHVURJKSA-N 2 0 315.461 2.794 20 0 DFADRP C[NH+](C)CCCOc1ccc(C[NH2+]Cc2ccncc2F)cc1 ZINC000449123908 297409379 /nfs/dbraw/zinc/40/93/79/297409379.db2.gz ODGQRYLOUQEJHX-UHFFFAOYSA-N 2 0 317.408 2.841 20 0 DFADRP CC(C)(C)CC(C)(C)[NH+]1CCC([NH2+]C[C@H]2CCCC(=O)N2)CC1 ZINC000449291058 297437545 /nfs/dbraw/zinc/43/75/45/297437545.db2.gz ISYOKAAYEQVJCR-MRXNPFEDSA-N 2 0 323.525 2.924 20 0 DFADRP C[NH+](C)[C@H](CNC(=O)C[C@H]1CCCC[C@H]1[NH3+])C1CCCCC1 ZINC000449321081 297444862 /nfs/dbraw/zinc/44/48/62/297444862.db2.gz RGMJDEBFGBHVIK-BRWVUGGUSA-N 2 0 309.498 2.521 20 0 DFADRP CC(C)[C@@H](CO)C[NH2+]C1CC[NH+]([C@H](C)Cc2ccccc2)CC1 ZINC000449322495 297445467 /nfs/dbraw/zinc/44/54/67/297445467.db2.gz XNSJUUNEYGZUBQ-IEBWSBKVSA-N 2 0 318.505 2.936 20 0 DFADRP CC[NH+]1CCN(CC(C)(C)[NH2+]C[C@H]2C(C)=CCC[C@H]2C)CC1 ZINC000449747492 297526376 /nfs/dbraw/zinc/52/63/76/297526376.db2.gz XGMOJRVAPRWMFV-MSOLQXFVSA-N 2 0 307.526 2.985 20 0 DFADRP C[NH+](C)CCCN[C@@H]1CC[N@H+](Cc2ccccc2)[C@H]2CCC[C@H]21 ZINC000453053759 298057720 /nfs/dbraw/zinc/05/77/20/298057720.db2.gz GRAQDHYUEMCKSR-ZCNNSNEGSA-N 2 0 315.505 2.971 20 0 DFADRP CC[C@H]([NH2+]C1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1)c1ccncc1 ZINC000453157527 298067389 /nfs/dbraw/zinc/06/73/89/298067389.db2.gz GOIHOFFJEWUILP-IPMKNSEASA-N 2 0 317.477 2.890 20 0 DFADRP c1ccc(C[N@@H+]2CC[C@H]([NH2+][C@@H]3CCOC3)[C@@H]3CCC[C@@H]32)cc1 ZINC000453179638 298069338 /nfs/dbraw/zinc/06/93/38/298069338.db2.gz UYYOJGIXIOTDQQ-XWSJACJDSA-N 2 0 300.446 2.808 20 0 DFADRP C[NH+](C)CCOc1cnccc1C[NH2+][C@H](C1CC1)C1CCC1 ZINC000453220286 298072246 /nfs/dbraw/zinc/07/22/46/298072246.db2.gz JTFBEEHNVXEXOT-SFHVURJKSA-N 2 0 303.450 2.690 20 0 DFADRP C[C@H]([NH2+]C[C@@H]1CC[C@@H](C)O1)c1cccc(OCC[NH+](C)C)c1 ZINC000453401425 298090296 /nfs/dbraw/zinc/09/02/96/298090296.db2.gz DQMDZKCNLLOSDO-VKJFTORMSA-N 2 0 306.450 2.845 20 0 DFADRP C[C@@H]([NH2+]C[C@@H]1CC[C@@H](C)O1)c1ccc(OCC[NH+](C)C)cc1 ZINC000453401792 298090502 /nfs/dbraw/zinc/09/05/02/298090502.db2.gz FCYKCPWVOBUVSK-RKVPGOIHSA-N 2 0 306.450 2.845 20 0 DFADRP C[N@H+](CCCC[NH2+]Cc1cnc2ccc(Cl)cn12)C1CC1 ZINC000453601807 298103521 /nfs/dbraw/zinc/10/35/21/298103521.db2.gz VYLPXASVZPNOLV-UHFFFAOYSA-N 2 0 306.841 2.952 20 0 DFADRP C[C@H]([NH2+]C[C@H]1CCC[C@@H]1O)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000453634913 298107483 /nfs/dbraw/zinc/10/74/83/298107483.db2.gz SZXHEBRXCKNBGO-AITUJVMLSA-N 2 0 302.462 2.648 20 0 DFADRP C[C@H](C(=O)NC[C@@H](c1ccccc1)[NH+](C)C)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000245204081 298157511 /nfs/dbraw/zinc/15/75/11/298157511.db2.gz YODAJMXZMTXYQS-HPFXQQBRSA-N 2 0 317.477 2.667 20 0 DFADRP CCn1ccnc1[C@@H](C)NC(=O)N(C)CC[NH+](C(C)C)C(C)C ZINC000455460180 298363420 /nfs/dbraw/zinc/36/34/20/298363420.db2.gz HNZDRBBFPKGGAS-OAHLLOKOSA-N 2 0 323.485 2.724 20 0 DFADRP CS[C@@H]1CN(C(=O)Nc2c(C)cc(C)nc2C)C[C@H]1[NH+](C)C ZINC000455475705 298366297 /nfs/dbraw/zinc/36/62/97/298366297.db2.gz DRFBTYAGWKTFSS-ZIAGYGMSSA-N 2 0 322.478 2.516 20 0 DFADRP CS[C@H]1CN(C(=O)Nc2c(C)cc(C)nc2C)C[C@@H]1[NH+](C)C ZINC000455475700 298366351 /nfs/dbraw/zinc/36/63/51/298366351.db2.gz DRFBTYAGWKTFSS-KBPBESRZSA-N 2 0 322.478 2.516 20 0 DFADRP CC[N@@H+]1CC[C@H]([NH+](C)CCCNC(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000496072622 300015466 /nfs/dbraw/zinc/01/54/66/300015466.db2.gz SBBGKGNCBXVACF-GJZGRUSLSA-N 2 0 313.486 2.563 20 0 DFADRP C[C@@H](c1cccc(N2CCOC2=O)c1)[N@H+](C)C[C@H]1CCC[NH2+]C1 ZINC000496165178 300024160 /nfs/dbraw/zinc/02/41/60/300024160.db2.gz GXXZJMCJWSNJOE-GJZGRUSLSA-N 2 0 317.433 2.636 20 0 DFADRP CC[N@@H+]1CC[C@H]([NH2+][C@H](C)[C@@H](C)NC(=O)OC(C)(C)C)[C@H](C)C1 ZINC000496196218 300028625 /nfs/dbraw/zinc/02/86/25/300028625.db2.gz AJNVNSWCTGFVLB-TUVASFSCSA-N 2 0 313.486 2.608 20 0 DFADRP C[C@H]([NH2+]CC[C@H]1CCC[NH2+]C1)c1cccc(N2CCOC2=O)c1 ZINC000496220286 300031946 /nfs/dbraw/zinc/03/19/46/300031946.db2.gz WTXVNOPIBHQLNR-LSDHHAIUSA-N 2 0 317.433 2.684 20 0 DFADRP C[NH+](C)CC1CCC([NH2+]CCCNC(=O)OC(C)(C)C)CC1 ZINC000496498994 300071882 /nfs/dbraw/zinc/07/18/82/300071882.db2.gz QYKMYLQSYNSVLP-UHFFFAOYSA-N 2 0 313.486 2.611 20 0 DFADRP COC(=O)Nc1ccc(CC[NH2+][C@H]2CCCC[C@H]2C[NH3+])cc1 ZINC000497106864 300162573 /nfs/dbraw/zinc/16/25/73/300162573.db2.gz MBWZURQKKKTZLL-HOCLYGCPSA-N 2 0 305.422 2.515 20 0 DFADRP C[C@@H]([NH2+][C@@H](C)c1cccc(N2CCOC2=O)c1)[C@@H]1CCC[NH2+]C1 ZINC000497249165 300182577 /nfs/dbraw/zinc/18/25/77/300182577.db2.gz FQTRAFXDZXXIDK-SQWLQELKSA-N 2 0 317.433 2.682 20 0 DFADRP C[C@H]([NH2+]C[C@H]1CC[N@H+](CCc2ccccc2)C1)[C@@H]1CCCOC1 ZINC000507489787 300236318 /nfs/dbraw/zinc/23/63/18/300236318.db2.gz YFQSDNRHMQFEPK-DFQSSKMNSA-N 2 0 316.489 2.956 20 0 DFADRP C[C@@H]1CN(C)C[C@@H]1[NH2+]CC[C@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000513506383 300257781 /nfs/dbraw/zinc/25/77/81/300257781.db2.gz PWRVYAWLKZOXPY-JYBIWHBTSA-N 2 0 315.505 2.827 20 0 DFADRP COCC[NH2+][C@@H]1CCCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000514092360 300259403 /nfs/dbraw/zinc/25/94/03/300259403.db2.gz FAVHWXNCUDXGAS-CEXWTWQISA-N 2 0 302.462 2.913 20 0 DFADRP c1c2ccccc2oc1CN[C@@H]1CCOC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000514666962 300264916 /nfs/dbraw/zinc/26/49/16/300264916.db2.gz DRZPSEKLZNBRIW-IXDOHACOSA-N 2 0 300.402 2.680 20 0 DFADRP O[C@@H](C[NH2+]C1CC[NH+](C2CCC2)CC1)Cc1cccc(Cl)c1 ZINC000514856390 300275541 /nfs/dbraw/zinc/27/55/41/300275541.db2.gz FWOCAMXYERJKMV-GOSISDBHSA-N 2 0 322.880 2.850 20 0 DFADRP C[NH+](C)CCN(CC[NH+](C)C)Cc1ccc(C(C)(C)C)s1 ZINC000514891150 300278079 /nfs/dbraw/zinc/27/80/79/300278079.db2.gz PSMACRVAURRPGN-UHFFFAOYSA-N 2 0 311.539 2.971 20 0 DFADRP C[C@H]([NH2+]CCc1ccccc1Br)[C@@H]1CCC[NH2+]C1 ZINC000515053311 300286920 /nfs/dbraw/zinc/28/69/20/300286920.db2.gz MXUHBPQAOQQNBN-GXTWGEPZSA-N 2 0 311.267 2.969 20 0 DFADRP FC(F)(F)CN1CC[C@H]([NH2+][C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)C1 ZINC000515053402 300287091 /nfs/dbraw/zinc/28/70/91/300287091.db2.gz YBQXGQGBKKWNDA-GBJTYRQASA-N 2 0 319.415 2.523 20 0 DFADRP C[N@@H+]1CCC[C@@H](CNC(=O)CC[C@@H]([NH3+])CC2CCCCC2)C1 ZINC000515654469 300316985 /nfs/dbraw/zinc/31/69/85/300316985.db2.gz SUGSTEDGBWPAJG-DLBZAZTESA-N 2 0 309.498 2.522 20 0 DFADRP [NH3+][C@@H](CCc1nc(C2([NH3+])CCCCC2)no1)c1ccccc1 ZINC000516866798 300364739 /nfs/dbraw/zinc/36/47/39/300364739.db2.gz QBMBSRYHHSNJEK-AWEZNQCLSA-N 2 0 300.406 2.820 20 0 DFADRP C[C@H](Cc1cccs1)[NH2+]Cc1cc(C2CC[NH2+]CC2)no1 ZINC000516921902 300369136 /nfs/dbraw/zinc/36/91/36/300369136.db2.gz VQIBZXIHMWSHCY-GFCCVEGCSA-N 2 0 305.447 2.924 20 0 DFADRP CC1CC[NH+](C[C@@H]2CCC[N@H+](C[C@@H]3CCCC[C@H]3O)C2)CC1 ZINC000517032827 300379537 /nfs/dbraw/zinc/37/95/37/300379537.db2.gz CGDGNJGKWMFUMP-GBESFXJTSA-N 2 0 308.510 2.981 20 0 DFADRP CC[NH+]1CCN([C@H]2CC[N@H+](C[C@@H](C)C3CCCCC3)C2)CC1 ZINC000517223808 300387903 /nfs/dbraw/zinc/38/79/03/300387903.db2.gz QXDICNBKBUECGO-MJGOQNOKSA-N 2 0 307.526 2.915 20 0 DFADRP C/C(=C/c1ccccc1)C[NH2+]C[C@@H](C)CN1CC[NH+](C)CC1 ZINC000519225891 300447787 /nfs/dbraw/zinc/44/77/87/300447787.db2.gz QEGHKJYWXOOHON-MTMYEVCSSA-N 2 0 301.478 2.563 20 0 DFADRP Cc1ccc([C@@H](CNC(=O)CCCC[NH+](C)C)[NH+]2CCCC2)o1 ZINC000521287128 300522743 /nfs/dbraw/zinc/52/27/43/300522743.db2.gz LFNWFASJTROZSA-MRXNPFEDSA-N 2 0 321.465 2.573 20 0 DFADRP COC[C@H]([NH2+]Cc1ccccc1OCC[NH+](C)C)C1CCCC1 ZINC000525860877 300610874 /nfs/dbraw/zinc/61/08/74/300610874.db2.gz MJNPTMSVKWXGIZ-SFHVURJKSA-N 2 0 320.477 2.922 20 0 DFADRP C[C@H]([NH2+]C1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)[C@@H]1C[C@H]1C1CC1 ZINC000527675895 300670951 /nfs/dbraw/zinc/67/09/51/300670951.db2.gz REENITJPWCSKCD-FLTXXLLZSA-N 2 0 306.494 2.779 20 0 DFADRP COCCC1CC[NH+](Cc2cn(-c3cc[nH+]cc3)nc2C)CC1 ZINC000529638328 300965093 /nfs/dbraw/zinc/96/50/93/300965093.db2.gz QAVCPEHEBVYYGU-UHFFFAOYSA-N 2 0 314.433 2.824 20 0 DFADRP CO[C@H](Cc1ccc(F)cc1)C[N@@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000530220087 301030983 /nfs/dbraw/zinc/03/09/83/301030983.db2.gz IMJGQZQFPZWNIP-JENIJYKNSA-N 2 0 320.452 2.705 20 0 DFADRP C[C@@H](N[C@H]1CC[NH2+]C12CCC2)c1cccc(OCC[NH+](C)C)c1 ZINC000530219671 301030994 /nfs/dbraw/zinc/03/09/94/301030994.db2.gz MLNWSKRGZKZQHF-QAPCUYQASA-N 2 0 317.477 2.562 20 0 DFADRP COc1ccc(CC[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)cn1 ZINC000530223298 301031549 /nfs/dbraw/zinc/03/15/49/301031549.db2.gz SYRWQBAKNJXXLR-BRWVUGGUSA-N 2 0 303.450 2.533 20 0 DFADRP Fc1ccc2c(c1)[C@H]([NH+]1CCC(CO[C@@H]3CC[NH2+]C3)CC1)CC2 ZINC000530239143 301033222 /nfs/dbraw/zinc/03/32/22/301033222.db2.gz DKRVPEDKQWDQTN-IEBWSBKVSA-N 2 0 318.436 2.904 20 0 DFADRP Cc1cccc(C[NH+]2CCC(CO[C@@H]3CC[NH2+]C3)CC2)c1C ZINC000530248532 301033699 /nfs/dbraw/zinc/03/36/99/301033699.db2.gz LSTNUXHMMWIUDT-LJQANCHMSA-N 2 0 302.462 2.894 20 0 DFADRP c1nc(C2CC2)sc1C[NH+]1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000530248730 301034087 /nfs/dbraw/zinc/03/40/87/301034087.db2.gz OQHSNGWYPUUCCG-HNNXBMFYSA-N 2 0 321.490 2.611 20 0 DFADRP C[C@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]CCc2cncn2C)CC1 ZINC000530513257 301052716 /nfs/dbraw/zinc/05/27/16/301052716.db2.gz XNWBXZBJWVWOLJ-YJBOKZPZSA-N 2 0 304.482 2.595 20 0 DFADRP CCC[N@@H+]1CC[C@H](C[NH2+][C@@H](C)c2ccc3c(c2)CCC(=O)N3)C1 ZINC000531701622 301104442 /nfs/dbraw/zinc/10/44/42/301104442.db2.gz AMEZCBIBKPHRQJ-LSDHHAIUSA-N 2 0 315.461 2.954 20 0 DFADRP C[C@@H]([NH2+]CCN1CC[C@@H](C)C1)c1cccc(OCC[NH+](C)C)c1 ZINC000531728471 301106838 /nfs/dbraw/zinc/10/68/38/301106838.db2.gz XPIDXWPYACBTJL-IAGOWNOFSA-N 2 0 319.493 2.619 20 0 DFADRP C[C@@H]1CC[N@H+](CCN[C@@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC000531728254 301106901 /nfs/dbraw/zinc/10/69/01/301106901.db2.gz KMOOMZDTRPFIOR-WSTZPKSXSA-N 2 0 315.505 2.971 20 0 DFADRP C[NH+](C)C1CCN(CC[NH2+][C@H]2CCc3c2cccc3Cl)CC1 ZINC000532248252 301139602 /nfs/dbraw/zinc/13/96/02/301139602.db2.gz ONEHWSKQAQBLEI-SFHVURJKSA-N 2 0 321.896 2.943 20 0 DFADRP Cc1nccn1CCC[NH2+][C@@H](C)c1ccc2c(c1)CCC(=O)N2 ZINC000532476579 301154621 /nfs/dbraw/zinc/15/46/21/301154621.db2.gz SGCIOLVIZXPIPM-ZDUSSCGKSA-N 2 0 312.417 2.817 20 0 DFADRP C[NH+](C)CCOc1ccc(CC[NH2+]C(C2CC2)C2CC2)cc1 ZINC000532484952 301155201 /nfs/dbraw/zinc/15/52/01/301155201.db2.gz NSOSJBUFDSYPQB-UHFFFAOYSA-N 2 0 302.462 2.948 20 0 DFADRP CN1CC[NH+](CCCC[NH2+][C@@H]2CCc3c2c(F)ccc3F)CC1 ZINC000533581889 301209147 /nfs/dbraw/zinc/20/91/47/301209147.db2.gz FLGKDYYXPLBLQO-QGZVFWFLSA-N 2 0 323.431 2.569 20 0 DFADRP CCCCc1noc([C@@H](C)N2CC[C@H](c3nccn3C)C2)n1 ZINC000533865892 301214734 /nfs/dbraw/zinc/21/47/34/301214734.db2.gz GBPIVNDPXUCDND-OLZOCXBDSA-N 2 0 303.410 2.696 20 0 DFADRP C[C@@H](c1nc2ccccc2c(=O)[nH]1)N1CC[C@@H](c2nccn2C)C1 ZINC000533864774 301214999 /nfs/dbraw/zinc/21/49/99/301214999.db2.gz BJOUPROVMXZCER-QWHCGFSZSA-N 2 0 323.400 2.619 20 0 DFADRP Cn1ccnc1[C@@H]1CCN(CC(=O)Nc2ccccc2Cl)C1 ZINC000533866734 301215011 /nfs/dbraw/zinc/21/50/11/301215011.db2.gz JTMLOOXEZCYUOE-GFCCVEGCSA-N 2 0 318.808 2.502 20 0 DFADRP CC(C)[N@H+](C)CC1CC[NH+](Cc2ccc3c(c2)nnn3C)CC1 ZINC000534346969 301230461 /nfs/dbraw/zinc/23/04/61/301230461.db2.gz HQFHCGRZSKOMGU-UHFFFAOYSA-N 2 0 315.465 2.521 20 0 DFADRP CCc1ccc([C@@H]([NH2+]C[C@H](O)C[NH+]2CCCC2)C(C)C)cc1 ZINC000540299913 301361216 /nfs/dbraw/zinc/36/12/16/301361216.db2.gz VMWCPADNXWFSGA-OALUTQOASA-N 2 0 304.478 2.992 20 0 DFADRP C[N@@H+]1CC[C@H]2CCN(Cc3cnc(-c4ccccc4)nc3)[C@@H]2C1 ZINC000540918967 301374931 /nfs/dbraw/zinc/37/49/31/301374931.db2.gz XPDNQAZPORXVRB-FUHWJXTLSA-N 2 0 308.429 2.670 20 0 DFADRP CCC1([NH2+]Cc2cn(-c3cc[nH+]cc3)nc2C)CCOCC1 ZINC000541381063 301385928 /nfs/dbraw/zinc/38/59/28/301385928.db2.gz WPFNSHSMPNUYAA-UHFFFAOYSA-N 2 0 300.406 2.625 20 0 DFADRP C[NH+]1CCN(C[C@H]([NH2+][C@@H]2CCC23CCC3)c2ccccc2)CC1 ZINC000548861166 301619445 /nfs/dbraw/zinc/61/94/45/301619445.db2.gz MZVDVFDKTSKVLU-RBUKOAKNSA-N 2 0 313.489 2.897 20 0 DFADRP Cc1ccccc1OC[C@@H](O)C[NH2+]C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000550721923 301651895 /nfs/dbraw/zinc/65/18/95/301651895.db2.gz SDFXSLLUBBHBTF-INIZCTEOSA-N 2 0 320.477 2.634 20 0 DFADRP CC[C@@H]1CCC[C@H]([NH2+]CC(=O)NCC[NH+]2CCCCCC2)C1 ZINC000552065327 301679450 /nfs/dbraw/zinc/67/94/50/301679450.db2.gz QXUACSYDKDWIEE-SJORKVTESA-N 2 0 309.498 2.537 20 0 DFADRP CCc1[nH+]c2ccccc2c(N2CC[NH+](CCCO)CC2)c1C ZINC000554515143 301740795 /nfs/dbraw/zinc/74/07/95/301740795.db2.gz XKBXMMOVSDTJJM-UHFFFAOYSA-N 2 0 313.445 2.610 20 0 DFADRP CC(C)[C@@H]1CC[C@@H]1[NH2+][C@H](CN1CC[NH+](C)CC1)c1ccccc1 ZINC000556873650 301817910 /nfs/dbraw/zinc/81/79/10/301817910.db2.gz ZZFPXGMAHDSVOQ-SLFFLAALSA-N 2 0 315.505 2.999 20 0 DFADRP CC(C)n1ncc2c1C[C@H]([NH2+]C1CC[NH+](CC3CC3)CC1)CC2 ZINC000558720433 301858249 /nfs/dbraw/zinc/85/82/49/301858249.db2.gz KZGYMFLDGVQSFP-GOSISDBHSA-N 2 0 316.493 2.785 20 0 DFADRP C[NH+](C)CC1CC[NH+](CCN2CCCc3ccccc32)CC1 ZINC000560094495 301883185 /nfs/dbraw/zinc/88/31/85/301883185.db2.gz MXRKSPKHDAPZND-UHFFFAOYSA-N 2 0 301.478 2.713 20 0 DFADRP C[N@@H+]1CCC[C@@H](CNCc2cnc(-c3ccncc3)s2)C1 ZINC000562871899 302009594 /nfs/dbraw/zinc/00/95/94/302009594.db2.gz UADHOOHTFOMJJP-ZDUSSCGKSA-N 2 0 302.447 2.637 20 0 DFADRP Cc1ccc(Cl)cc1NC(=O)C[C@H](C)[NH2+]CC1CC[NH2+]CC1 ZINC000562955887 302017296 /nfs/dbraw/zinc/01/72/96/302017296.db2.gz MDIRWXHTVKFBCD-ZDUSSCGKSA-N 2 0 323.868 2.955 20 0 DFADRP C[C@H]([NH3+])[C@@H]1COCC[C@H]1[NH2+]Cc1cccc(-c2ccccn2)c1 ZINC000562959517 302018096 /nfs/dbraw/zinc/01/80/96/302018096.db2.gz WBZVEEUKTKFMHT-UCLAIMLFSA-N 2 0 311.429 2.591 20 0 DFADRP CC(=O)N1CC[C@H]([NH2+][C@H]2CCCC[C@H]2C[NH3+])c2ccccc21 ZINC000562960387 302018876 /nfs/dbraw/zinc/01/88/76/302018876.db2.gz OALLJGZKZPLFTK-XIRDDKMYSA-N 2 0 301.434 2.591 20 0 DFADRP CCC[NH+](CCC)CCCNC(=O)[C@H]1C[NH2+]Cc2ccccc21 ZINC000563052310 302031393 /nfs/dbraw/zinc/03/13/93/302031393.db2.gz IYVXWVGFJVHYGE-SFHVURJKSA-N 2 0 317.477 2.502 20 0 DFADRP CCCN(CC[NH+](C)C)C(=O)C(C)(C)[C@H]([NH3+])c1ccccc1 ZINC000563205467 302049225 /nfs/dbraw/zinc/04/92/25/302049225.db2.gz GJTMNNIEDBAPIG-MRXNPFEDSA-N 2 0 305.466 2.513 20 0 DFADRP COC[C@H](CCC[NH3+])[NH2+]Cc1cccc(Br)c1C ZINC000563422659 302071173 /nfs/dbraw/zinc/07/11/73/302071173.db2.gz AIWKXSNXXULZKK-ZDUSSCGKSA-N 2 0 315.255 2.601 20 0 DFADRP CC[NH+](CC)CCO[C@@H]1CC[N@H+](Cc2ccc(OC)cc2F)C1 ZINC000563540759 302081613 /nfs/dbraw/zinc/08/16/13/302081613.db2.gz GBENEJBYCLVWIJ-QGZVFWFLSA-N 2 0 324.440 2.767 20 0 DFADRP C[NH+](C)C1(CNC(=O)CC[C@@H]2CCCC[N@@H+]2C)CCCCC1 ZINC000563740175 302096099 /nfs/dbraw/zinc/09/60/99/302096099.db2.gz TYSIOHUENHKNLC-INIZCTEOSA-N 2 0 309.498 2.632 20 0 DFADRP C[C@@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]CCc1ccc2c(c1)OCO2 ZINC000564649693 302147063 /nfs/dbraw/zinc/14/70/63/302147063.db2.gz NWJVKVISIDRDCE-PBHICJAKSA-N 2 0 312.413 2.506 20 0 DFADRP Cc1cccc(C)c1NC(=O)[C@@H](C)[NH+]1CCC(CC[NH3+])CC1 ZINC000564803502 302159848 /nfs/dbraw/zinc/15/98/48/302159848.db2.gz RAHRCOYNIVROBG-OAHLLOKOSA-N 2 0 303.450 2.691 20 0 DFADRP c1cc(CC[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)cc2c1OCO2 ZINC000564823543 302161308 /nfs/dbraw/zinc/16/13/08/302161308.db2.gz DLMUJDXMXAXGDD-IXDOHACOSA-N 2 0 316.445 2.858 20 0 DFADRP CC1CC[NH+](Cc2cccc(C[NH2+]CC3(O)CCC3)c2)CC1 ZINC000564847363 302163793 /nfs/dbraw/zinc/16/37/93/302163793.db2.gz BOFVCPUNKVOIRH-UHFFFAOYSA-N 2 0 302.462 2.923 20 0 DFADRP CC(C)CC[N@@H+]1Cc2cccc(NC(=O)[C@H]3C[C@@H]([NH3+])C3)c2C1 ZINC000565034714 302186928 /nfs/dbraw/zinc/18/69/28/302186928.db2.gz PETVACZPKOPHAS-GASCZTMLSA-N 2 0 301.434 2.724 20 0 DFADRP CC(C)C[N@@H+]1CC[C@H](C[NH2+]C[C@H](O)[C@H](C)c2ccccc2)C1 ZINC000565887588 302246864 /nfs/dbraw/zinc/24/68/64/302246864.db2.gz WQCZLTBAUMROQB-LMMKCTJWSA-N 2 0 304.478 2.719 20 0 DFADRP CCc1ccc([C@H](CNC(=O)[C@H]2CCCCC[NH2+]2)[NH+](C)C)cc1 ZINC000566011854 302253396 /nfs/dbraw/zinc/25/33/96/302253396.db2.gz IIHPFVDHQWAFDK-MSOLQXFVSA-N 2 0 317.477 2.500 20 0 DFADRP C[C@H]1CCC[N@H+](Cc2ccccc2CNC(=O)CCCC[NH3+])C1 ZINC000566065971 302256543 /nfs/dbraw/zinc/25/65/43/302256543.db2.gz UQEFLUJVQNMQRE-INIZCTEOSA-N 2 0 317.477 2.664 20 0 DFADRP C[C@H](NC[C@@H]1CCC[N@@H+]1Cc1ccccc1)[C@@H]1CCC[NH2+]C1 ZINC000566089169 302258349 /nfs/dbraw/zinc/25/83/49/302258349.db2.gz APELTVJLGHGUEH-UHOSZYNNSA-N 2 0 301.478 2.629 20 0 DFADRP C[C@H](NC[C@@H]1CCC[N@@H+]1Cc1ccccc1)[C@H]1CCC[NH2+]C1 ZINC000566089171 302258559 /nfs/dbraw/zinc/25/85/59/302258559.db2.gz APELTVJLGHGUEH-WDSOQIARSA-N 2 0 301.478 2.629 20 0 DFADRP C[C@H](C[NH2+]C[C@@H](O)[C@@H](C)c1ccccc1)C[NH+]1CCCCC1 ZINC000566107373 302260150 /nfs/dbraw/zinc/26/01/50/302260150.db2.gz JRQWUXYGEFLMPV-ZIFCJYIRSA-N 2 0 304.478 2.863 20 0 DFADRP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+][C@H]2CO[C@H](C)C2)CC1 ZINC000566219513 302268197 /nfs/dbraw/zinc/26/81/97/302268197.db2.gz DLKSJLPBRWWERZ-GPMSIDNRSA-N 2 0 302.462 2.849 20 0 DFADRP CC[N@@H+]1CC[C@H](N(C)Cc2ccc3c(c2)C[NH2+]CC3)C[C@@H]1C ZINC000566351700 302281426 /nfs/dbraw/zinc/28/14/26/302281426.db2.gz YAMAHHAKOHMJNS-KXBFYZLASA-N 2 0 301.478 2.637 20 0 DFADRP O[C@@H](C[NH2+]Cc1c(Cl)cccc1-n1ccnc1)C(F)(F)F ZINC000566556210 302294666 /nfs/dbraw/zinc/29/46/66/302294666.db2.gz DSIIYVCXTNHAPH-LBPRGKRZSA-N 2 0 319.714 2.539 20 0 DFADRP C[C@H](CC[NH+](C)C)[NH2+]C[C@@H](O)Cc1ccc2ccccc2c1 ZINC000566615369 302299079 /nfs/dbraw/zinc/29/90/79/302299079.db2.gz IKWDZLUQZNTHPO-BEFAXECRSA-N 2 0 300.446 2.673 20 0 DFADRP C[C@@H](CC[NH+](C)C)[NH2+]C[C@H](O)Cc1ccc2ccccc2c1 ZINC000566615376 302299084 /nfs/dbraw/zinc/29/90/84/302299084.db2.gz IKWDZLUQZNTHPO-HNAYVOBHSA-N 2 0 300.446 2.673 20 0 DFADRP C[C@@H]([NH2+][C@@H]1CCc2nc[nH]c2C1)c1ccc(-n2cccn2)cc1 ZINC000566708867 302305350 /nfs/dbraw/zinc/30/53/50/302305350.db2.gz ZSOZUAHOZSZPJX-UKRRQHHQSA-N 2 0 307.401 2.804 20 0 DFADRP Cn1cc(C[NH2+]C[C@@H]2CCC[C@H]([NH3+])C2)c(-c2cccs2)n1 ZINC000566843622 302316213 /nfs/dbraw/zinc/31/62/13/302316213.db2.gz FXJUHUFPRHTMAN-OCCSQVGLSA-N 2 0 304.463 2.756 20 0 DFADRP Cn1cc(C[NH2+]C[C@H]2CCC[C@H]([NH3+])C2)c(-c2cccs2)n1 ZINC000566843621 302316290 /nfs/dbraw/zinc/31/62/90/302316290.db2.gz FXJUHUFPRHTMAN-JSGCOSHPSA-N 2 0 304.463 2.756 20 0 DFADRP CC[C@@H](C)C[C@@H](NC1CCN(c2ccccn2)CC1)C(=O)OC ZINC000566858847 302317733 /nfs/dbraw/zinc/31/77/33/302317733.db2.gz BGXFTRWWPCGPGD-GDBMZVCRSA-N 2 0 319.449 2.618 20 0 DFADRP [NH3+][C@@H]1CCC[C@H]([NH2+]CCC2CCN(CC(F)(F)F)CC2)C1 ZINC000566865846 302318654 /nfs/dbraw/zinc/31/86/54/302318654.db2.gz FQPXWHCKGUUGSP-KGLIPLIRSA-N 2 0 307.404 2.510 20 0 DFADRP CCC(CC)(CNC(=O)[C@@H](C)[NH2+]C)[NH2+][C@H](C)c1ccccc1 ZINC000567248575 302345044 /nfs/dbraw/zinc/34/50/44/302345044.db2.gz HFNBZMZWFGEEJV-HUUCEWRRSA-N 2 0 305.466 2.620 20 0 DFADRP CC(C)c1nc2n(n1)C[C@H]([NH2+][C@H](C)C[C@H]1CCCCC[NH2+]1)CC2 ZINC000567260339 302345385 /nfs/dbraw/zinc/34/53/85/302345385.db2.gz LLMVCTBTEBPYON-BZUAXINKSA-N 2 0 319.497 2.617 20 0 DFADRP c1cc2c(cc1C[N@@H+]1CC[C@H](c3nc(C4CC4)no3)C1)C[NH2+]CC2 ZINC000567595413 302371784 /nfs/dbraw/zinc/37/17/84/302371784.db2.gz GRXPZAAGKIZDOD-INIZCTEOSA-N 2 0 324.428 2.582 20 0 DFADRP COC[C@H]([NH2+]CC1CC[NH2+]CC1)c1cccc(C(F)(F)F)c1 ZINC000567639004 302375473 /nfs/dbraw/zinc/37/54/73/302375473.db2.gz ICQDAZZTVKAUSJ-HNNXBMFYSA-N 2 0 316.367 2.982 20 0 DFADRP CCCCNC(=O)c1ccc(C[NH2+][C@@H](C)[C@H]2CCC[NH2+]C2)cc1 ZINC000567648365 302376548 /nfs/dbraw/zinc/37/65/48/302376548.db2.gz DRBYFPBZRDOFOX-YJBOKZPZSA-N 2 0 317.477 2.694 20 0 DFADRP CC(C)[NH2+]CCCN[C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000567723919 302384349 /nfs/dbraw/zinc/38/43/49/302384349.db2.gz BHFYQLBGNXNHNO-PKOBYXMFSA-N 3 0 303.494 2.875 20 0 DFADRP CC[N@H+](C)CCN[C@H]1CC[NH+](Cc2ccccc2)C2(CC2)C1 ZINC000567851627 302393203 /nfs/dbraw/zinc/39/32/03/302393203.db2.gz STYALLPNASNPMM-SFHVURJKSA-N 2 0 301.478 2.725 20 0 DFADRP [NH3+][C@H](CCC(=O)Nc1ccc2c(c1)C[NH2+]CC2)c1ccccc1 ZINC000568058726 302413950 /nfs/dbraw/zinc/41/39/50/302413950.db2.gz ZUARWLGYAFSGSS-GOSISDBHSA-N 2 0 309.413 2.751 20 0 DFADRP [NH3+][C@H]1CCC[C@@H]([NH2+]Cc2c(Cl)cccc2-n2ccnc2)C1 ZINC000569018692 302492580 /nfs/dbraw/zinc/49/25/80/302492580.db2.gz CQWNTAIBNWGIRN-QWHCGFSZSA-N 2 0 304.825 2.885 20 0 DFADRP c1ccc2c(C[NH2+]C3CCN(c4cc[nH+]cc4)CC3)noc2c1 ZINC000569745647 302536029 /nfs/dbraw/zinc/53/60/29/302536029.db2.gz YCIKSMAOPZYSDW-UHFFFAOYSA-N 2 0 308.385 2.981 20 0 DFADRP C[C@@H](NC(=O)C[NH+]1CCC(CC[NH3+])CC1)c1ccc(Cl)cc1 ZINC000570808090 302593575 /nfs/dbraw/zinc/59/35/75/302593575.db2.gz BMNVSDORMCRYNQ-CYBMUJFWSA-N 2 0 323.868 2.578 20 0 DFADRP C[C@H](CCCC[NH3+])[NH2+]Cc1ccc(OCC(F)(F)F)nc1 ZINC000573474190 302706954 /nfs/dbraw/zinc/70/69/54/302706954.db2.gz RSOCKGIUUZIQPP-LLVKDONJSA-N 2 0 305.344 2.630 20 0 DFADRP CCO[C@@H]1C[C@@H]([NH2+]Cc2cc(C3CC[NH2+]CC3)no2)C12CCC2 ZINC000574312136 302752186 /nfs/dbraw/zinc/75/21/86/302752186.db2.gz NVPRSOXDTJKLSN-IAGOWNOFSA-N 2 0 319.449 2.579 20 0 DFADRP Clc1cccc([C@H]2C[NH2+]CCN2CCC2CC[NH2+]CC2)c1 ZINC000261887464 302887768 /nfs/dbraw/zinc/88/77/68/302887768.db2.gz VESKQHJGJOPHEL-QGZVFWFLSA-N 2 0 307.869 2.676 20 0 DFADRP C[C@H]1C[NH+](CCC2CC[NH+](CC3CCOCC3)CC2)C[C@H](C)O1 ZINC000177484375 315983082 /nfs/dbraw/zinc/98/30/82/315983082.db2.gz RMTKSUACZDHMGQ-IRXDYDNUSA-N 2 0 324.509 2.624 20 0 DFADRP C[C@H](CCc1ccccc1)[N@H+](C)CCN(C)C1CC[NH+](C)CC1 ZINC000180940661 316047420 /nfs/dbraw/zinc/04/74/20/316047420.db2.gz MVSMOLIJGGLBJX-GOSISDBHSA-N 2 0 317.521 2.966 20 0 DFADRP C[N@H+](CC[C@H]1CCCC[NH+]1C)C[C@H](O)CCc1ccccc1 ZINC000182415334 316100956 /nfs/dbraw/zinc/10/09/56/316100956.db2.gz MXAVQSKWJKYEJR-RTBURBONSA-N 2 0 304.478 2.786 20 0 DFADRP C[C@H](C[NH2+][C@H]1CCCc2cc(F)ccc21)CN1CCOCC1 ZINC000182999934 316126017 /nfs/dbraw/zinc/12/60/17/316126017.db2.gz ZJXAKMCYOSRYRO-KDOFPFPSSA-N 2 0 306.425 2.761 20 0 DFADRP CC1CC[NH+](CCCC[NH2+][C@H](c2nccn2C)C2CC2)CC1 ZINC000183248531 316135489 /nfs/dbraw/zinc/13/54/89/316135489.db2.gz VKGCKPRUSOLPRA-KRWDZBQOSA-N 2 0 304.482 2.973 20 0 DFADRP C[C@@H]1CCC[N@H+](CCCC[NH2+][C@@H](c2nccn2C)C2CC2)C1 ZINC000183248396 316135567 /nfs/dbraw/zinc/13/55/67/316135567.db2.gz SNLWFDNAXCSGLF-NVXWUHKLSA-N 2 0 304.482 2.973 20 0 DFADRP COc1ccc(C[C@@H](C)C[NH2+]C[C@@H]2CCC[N@H+](C)C2)cc1F ZINC000187351425 316208649 /nfs/dbraw/zinc/20/86/49/316208649.db2.gz WREQTUHKMZALIN-ZBFHGGJFSA-N 2 0 308.441 2.944 20 0 DFADRP CCN(C)CC[NH2+][C@H](C)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000299986680 316235895 /nfs/dbraw/zinc/23/58/95/316235895.db2.gz NBKINSQTICLUON-CABCVRRESA-N 2 0 313.486 2.563 20 0 DFADRP Fc1ccc(-c2cnc(C[N@H+]3CC[C@H]4C[NH2+]C[C@H]4CC3)o2)cc1 ZINC000324125044 316260937 /nfs/dbraw/zinc/26/09/37/316260937.db2.gz HJPRRZXSKNQAPU-GASCZTMLSA-N 2 0 315.392 2.912 20 0 DFADRP COCCOc1cccc(C[NH2+][C@@H]2C[C@H](C)[N@H+](C)C[C@@H]2C)c1 ZINC000341902243 316310859 /nfs/dbraw/zinc/31/08/59/316310859.db2.gz SLACMWFQAIPPME-RLFYNMQTSA-N 2 0 306.450 2.530 20 0 DFADRP C[C@@H]1C[C@H](C[NH+]2CCC(N3CCc4ccccc43)CC2)CC[NH2+]1 ZINC000414760422 316648141 /nfs/dbraw/zinc/64/81/41/316648141.db2.gz YQKYSQQQNWAAHN-IAGOWNOFSA-N 2 0 313.489 2.902 20 0 DFADRP Clc1ccccc1[C@@H]1CCC[C@H]1[NH2+]CCCN1CC[NH2+]CC1 ZINC000414775374 316650435 /nfs/dbraw/zinc/65/04/35/316650435.db2.gz CHQWYZMDJIJSMP-FUHWJXTLSA-N 2 0 321.896 2.861 20 0 DFADRP COc1ccc([C@H](C)C[NH+]2CCC([C@@H]3OCC[C@H]3[NH3+])CC2)cc1 ZINC000414792794 316658828 /nfs/dbraw/zinc/65/88/28/316658828.db2.gz SKDVLADAFDANTA-ZMYBRWDISA-N 2 0 318.461 2.627 20 0 DFADRP Cc1cc(C)c(C[NH+]2CCC([C@@H]3OCC[C@H]3[NH3+])CC2)c(C)c1 ZINC000414797953 316661636 /nfs/dbraw/zinc/66/16/36/316661636.db2.gz ZAHGLKSFWACDHN-MOPGFXCFSA-N 2 0 302.462 2.940 20 0 DFADRP [NH3+]C[C@H]1CCC[C@H]1[NH2+]Cc1ccc(F)c(Br)c1 ZINC000414797221 316661723 /nfs/dbraw/zinc/66/17/23/316661723.db2.gz OVDWKWSETMIEBH-ZWNOBZJWSA-N 2 0 301.203 2.805 20 0 DFADRP COc1c(Br)cccc1C[NH2+][C@H]1CCC[C@@H]1C[NH3+] ZINC000414801314 316662548 /nfs/dbraw/zinc/66/25/48/316662548.db2.gz LTZOJJFLEDDLOG-MFKMUULPSA-N 2 0 313.239 2.675 20 0 DFADRP COCCC[NH+]1CCC([NH2+][C@H](C)C2(OC)CCCCC2)CC1 ZINC000421824504 316770090 /nfs/dbraw/zinc/77/00/90/316770090.db2.gz JBRRJCNGUWUAMK-MRXNPFEDSA-N 2 0 312.498 2.815 20 0 DFADRP C[C@@H]([NH2+]C1CCC([NH+](C)C)CC1)c1ccc(C(=O)N(C)C)cc1 ZINC000421872710 316779207 /nfs/dbraw/zinc/77/92/07/316779207.db2.gz HBRASRHDZQQIQG-RWBZWWBESA-N 2 0 317.477 2.912 20 0 DFADRP CC(C)CC[C@@H]1CCC[C@@H]1NC(=O)CCC[NH+]1CCC([NH3+])CC1 ZINC000433134995 316879864 /nfs/dbraw/zinc/87/98/64/316879864.db2.gz ICCQGLJGOXDQQE-WMZOPIPTSA-N 2 0 323.525 2.911 20 0 DFADRP CCC[C@H]1CCC[C@@H]1[NH2+]Cc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000433143493 316880643 /nfs/dbraw/zinc/88/06/43/316880643.db2.gz HONBHSPOXBHKDF-ROUUACIJSA-N 2 0 316.493 2.892 20 0 DFADRP CC(C)[C@H]1CCCC[C@H]1NC(=O)CCC[NH+]1CCC([NH3+])CC1 ZINC000433157909 316883131 /nfs/dbraw/zinc/88/31/31/316883131.db2.gz OCJLEIAQBUUSPQ-IAGOWNOFSA-N 2 0 309.498 2.521 20 0 DFADRP [NH3+]C1CC[NH+](CCCC(=O)Nc2ccc(Cl)cc2F)CC1 ZINC000433166430 316884606 /nfs/dbraw/zinc/88/46/06/316884606.db2.gz KSNFKZPVPCTLBY-UHFFFAOYSA-N 2 0 313.804 2.621 20 0 DFADRP CC[NH+]1CCC(Nc2cccc3c2OCC[C@@H]3[NH+](C)C)CC1 ZINC000435037855 316922115 /nfs/dbraw/zinc/92/21/15/316922115.db2.gz YHGJOUZQJOZULO-KRWDZBQOSA-N 2 0 303.450 2.968 20 0 DFADRP C[C@H](c1ccccc1)[C@@H](O)C[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000450432376 317092605 /nfs/dbraw/zinc/09/26/05/317092605.db2.gz ABXLSCUWAZCRCW-GGPKGHCWSA-N 2 0 316.489 2.959 20 0 DFADRP C[N@H+](CCN1CC[C@@H]2[C@H](CCC[NH+]2C)C1)Cc1ccccc1 ZINC000450499548 317099539 /nfs/dbraw/zinc/09/95/39/317099539.db2.gz IYQPYLPEAQIUTK-RTBURBONSA-N 2 0 301.478 2.535 20 0 DFADRP CC(C)[C@@H](C[NH2+][C@@H](C1CC1)C1CCCC1)N1CC[NH+](C)CC1 ZINC000453067473 317159109 /nfs/dbraw/zinc/15/91/09/317159109.db2.gz ANDVBYCRIVTQFQ-RTBURBONSA-N 2 0 307.526 2.817 20 0 DFADRP C[C@H]1CC[C@H]([NH2+]CC2CC[NH+](CCO)CC2)c2sccc21 ZINC000453102192 317162728 /nfs/dbraw/zinc/16/27/28/317162728.db2.gz OXWITVFASOQPDQ-BBRMVZONSA-N 2 0 308.491 2.980 20 0 DFADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]CCC[C@H]2CCOC2)[C@H](C)C1 ZINC000453368078 317180503 /nfs/dbraw/zinc/18/05/03/317180503.db2.gz MSUAPAAZHSBBHM-SQNIBIBYSA-N 2 0 312.498 2.530 20 0 DFADRP C[C@@H]([NH2+][C@H]1COCC1(C)C)c1ccc(OCC[NH+](C)C)cc1 ZINC000453386856 317182508 /nfs/dbraw/zinc/18/25/08/317182508.db2.gz WBQJWUTVLTZAHL-PBHICJAKSA-N 2 0 306.450 2.703 20 0 DFADRP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)CC2CCC(F)(F)CC2)CC1 ZINC000459335411 317320073 /nfs/dbraw/zinc/32/00/73/317320073.db2.gz NZRFPICSGYZESO-CQSZACIVSA-N 2 0 318.452 2.837 20 0 DFADRP C[C@H]1CN(C2CC2)C[C@H]1[NH2+]C[C@@H]1CCO[C@H]1c1ccccc1 ZINC000486424615 317342319 /nfs/dbraw/zinc/34/23/19/317342319.db2.gz FZAZXTXSNQQVMJ-WQCNXYOZSA-N 2 0 300.446 2.837 20 0 DFADRP CCn1ncnc1CN1CCC(CC[N@H+](CC)CC2CC2)CC1 ZINC000488094741 317366896 /nfs/dbraw/zinc/36/68/96/317366896.db2.gz AGCVFGLSUABNHQ-UHFFFAOYSA-N 2 0 319.497 2.632 20 0 DFADRP CCN1CC[NH+](CCCC[NH2+][C@H]2CS[C@H](C(C)C)C2)CC1 ZINC000488430225 317392329 /nfs/dbraw/zinc/39/23/29/317392329.db2.gz JXEVPBLZTNBIIV-SJORKVTESA-N 2 0 313.555 2.524 20 0 DFADRP C[C@@H]1C[C@H]1C[NH2+]CCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000488448758 317394435 /nfs/dbraw/zinc/39/44/35/317394435.db2.gz NRGYHBCXSMIEMX-AEFFLSMTSA-N 2 0 302.462 2.949 20 0 DFADRP CC[C@H](C[NH+]1CCN(CC[NH+]2CCCC2)CC1)c1ccccc1 ZINC000506017420 317690748 /nfs/dbraw/zinc/69/07/48/317690748.db2.gz RMIUOZOJJQFJQP-LJQANCHMSA-N 2 0 315.505 2.894 20 0 DFADRP Fc1cccc(C[NH+]2CCC(CO[C@@H]3CC[NH2+]C3)CC2)c1F ZINC000530239161 317777972 /nfs/dbraw/zinc/77/79/72/317777972.db2.gz DORQICWIYABHBH-OAHLLOKOSA-N 2 0 310.388 2.555 20 0 DFADRP C[C@H](c1cccc(F)c1)[NH+]1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000530242520 317778389 /nfs/dbraw/zinc/77/83/89/317778389.db2.gz UKVFNZVAEBNKHP-RDTXWAMCSA-N 2 0 306.425 2.977 20 0 DFADRP Cc1ccc(C)c(C[NH+]2CCC(CO[C@H]3CC[NH2+]C3)CC2)c1 ZINC000530244243 317778693 /nfs/dbraw/zinc/77/86/93/317778693.db2.gz ZWCIADPYRSNRSK-IBGZPJMESA-N 2 0 302.462 2.894 20 0 DFADRP COc1ccc(C[NH+](C)C)cc1NC(=O)C[NH+]1[C@@H](C)CC[C@@H]1C ZINC000531288726 317797603 /nfs/dbraw/zinc/79/76/03/317797603.db2.gz IZVYENDTLZHSKK-KBPBESRZSA-N 2 0 319.449 2.568 20 0 DFADRP CCN(CC)C(=O)[C@@H](c1ccccc1)[NH+]1CCC(CC[NH3+])CC1 ZINC000571452553 317984479 /nfs/dbraw/zinc/98/44/79/317984479.db2.gz JDWIFOTXZFKOFX-GOSISDBHSA-N 2 0 317.477 2.657 20 0 DFADRP CC[NH+]1CCN(c2ccccc2N[C@@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000571657030 317988975 /nfs/dbraw/zinc/98/89/75/317988975.db2.gz IKTABDCVLRBGQP-HZPDHXFCSA-N 2 0 302.466 2.510 20 0 DFADRP CCOc1cc(C[NH2+]Cc2ccc(C[NH3+])cc2)ccc1OC ZINC000574572233 318025456 /nfs/dbraw/zinc/02/54/56/318025456.db2.gz KLEGBCCYZJRFSN-UHFFFAOYSA-N 2 0 300.402 2.842 20 0 DFADRP C[C@H](CCc1n[nH]c2ccccc21)[NH2+]C[C@H]1CCC[C@@H]([NH3+])C1 ZINC000574739342 318037420 /nfs/dbraw/zinc/03/74/20/318037420.db2.gz MOKMWPLKPSFUGJ-QLFBSQMISA-N 2 0 300.450 2.991 20 0 DFADRP C[C@@H]([C@H](C)[NH2+]Cc1nnc(C2CC[NH2+]CC2)[nH]1)C1CCCCC1 ZINC000574803638 318041000 /nfs/dbraw/zinc/04/10/00/318041000.db2.gz OTIPQQUIKNUCSO-KBPBESRZSA-N 2 0 319.497 2.966 20 0 DFADRP C[C@H]1CCCC[N@@H+]1CCCC[NH2+]C[C@@H](O)Cc1ccc(F)cc1 ZINC000574868941 318045938 /nfs/dbraw/zinc/04/59/38/318045938.db2.gz FNJUUIMHLQAJML-LPHOPBHVSA-N 2 0 322.468 2.973 20 0 DFADRP Clc1ccccc1[C@@H](CNC1CC[NH2+]CC1)[NH+]1CCCC1 ZINC000574910947 318050143 /nfs/dbraw/zinc/05/01/43/318050143.db2.gz FIPJGTSUDRLZPF-QGZVFWFLSA-N 2 0 307.869 2.819 20 0 DFADRP C[C@H]([NH3+])c1ccc(CNC(=O)CC[C@@H]2CCCC[N@@H+]2C)cc1 ZINC000575121839 318064672 /nfs/dbraw/zinc/06/46/72/318064672.db2.gz JFEHKLCIMHTQPQ-YOEHRIQHSA-N 2 0 303.450 2.587 20 0 DFADRP COc1ccc(C[C@H](C)C[NH2+][C@@H]2CCC[C@H]([NH3+])C2)cc1OC ZINC000575761853 318082198 /nfs/dbraw/zinc/08/21/98/318082198.db2.gz FUMFHMWBJUZGFM-CWRNSKLLSA-N 2 0 306.450 2.742 20 0 DFADRP CC(C)c1ccc(OC2CC[NH+](CCOCC[NH3+])CC2)cc1 ZINC000575869289 318088799 /nfs/dbraw/zinc/08/87/99/318088799.db2.gz GAUHXMVNAPZXHT-UHFFFAOYSA-N 2 0 306.450 2.629 20 0 DFADRP Cc1ccc(C[NH2+]C2CCC(C[NH3+])CC2)c(O[C@H]2CCOC2)c1 ZINC000575980122 318095541 /nfs/dbraw/zinc/09/55/41/318095541.db2.gz UIZYVWZOFLYBGF-VJFUWPCTSA-N 2 0 318.461 2.770 20 0 DFADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCC[NH2+]C[C@H](O)Cc2ccccc2)C1 ZINC000576457225 318127647 /nfs/dbraw/zinc/12/76/47/318127647.db2.gz AVUYPYQOXMLQAO-WSTZPKSXSA-N 2 0 318.505 2.938 20 0 DFADRP C[C@H]1[NH2+]CC[C@@H]1C(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC000576634337 318139358 /nfs/dbraw/zinc/13/93/58/318139358.db2.gz FVWUTRUJBWCXHS-QAPCUYQASA-N 2 0 315.461 2.652 20 0 DFADRP C[C@@H]([NH2+][C@@H](CN1CC[NH+](C)CC1)c1ccccc1)C1CCC1 ZINC000576642087 318140023 /nfs/dbraw/zinc/14/00/23/318140023.db2.gz AAFZOWMSUNBVJY-APWZRJJASA-N 2 0 301.478 2.753 20 0 DFADRP COc1ccc(C[NH+]2CCC([C@@H]3C[C@@H]([NH3+])CCO3)CC2)c(F)c1 ZINC000576708741 318144691 /nfs/dbraw/zinc/14/46/91/318144691.db2.gz IVTNWCUCRVWNGP-YJBOKZPZSA-N 2 0 322.424 2.553 20 0 DFADRP [NH3+][C@H]1CCC[C@@H]([NH2+]CCNc2cccc(Br)c2)C1 ZINC000576767683 318149345 /nfs/dbraw/zinc/14/93/45/318149345.db2.gz OYSGSIVWGXFZQP-GXTWGEPZSA-N 2 0 312.255 2.721 20 0 DFADRP Cc1cccc(OC[C@@H](O)C[NH2+][C@H](CC[NH+](C)C)C(C)(C)C)c1 ZINC000577055186 318168227 /nfs/dbraw/zinc/16/82/27/318168227.db2.gz LMGUBXRIMZXAEN-FUHWJXTLSA-N 2 0 322.493 2.691 20 0 DFADRP Fc1ccc(-c2n[nH]cc2C[NH2+][C@@H]2C[C@H]2C2CC[NH2+]CC2)cc1 ZINC000577601178 318204223 /nfs/dbraw/zinc/20/42/23/318204223.db2.gz DLACSTCJLLZZAH-DLBZAZTESA-N 2 0 314.408 2.694 20 0 DFADRP CC(C)[NH+](CCCNC(=O)C[C@@H]([NH3+])Cc1ccccc1)C(C)C ZINC000577748577 318214706 /nfs/dbraw/zinc/21/47/06/318214706.db2.gz GONJNUXHLNKXPY-SFHVURJKSA-N 2 0 319.493 2.572 20 0 DFADRP C[C@H]([NH2+][C@H]1CCN(c2c(F)cccc2F)C1)[C@@H]1CCC[NH2+]C1 ZINC000577829016 318219606 /nfs/dbraw/zinc/21/96/06/318219606.db2.gz HKMFYDITCRBCIB-MJBXVCDLSA-N 2 0 309.404 2.521 20 0 DFADRP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+]1CC[C@@H](OC(C)C)C1 ZINC000577952914 318228538 /nfs/dbraw/zinc/22/85/38/318228538.db2.gz HZKAYAREEFBBGO-QGZVFWFLSA-N 2 0 300.406 2.575 20 0 DFADRP CC(C)=CCC[C@@H](C)CC(=O)NCCN1CCC([NH+](C)C)CC1 ZINC000578362041 318255986 /nfs/dbraw/zinc/25/59/86/318255986.db2.gz SXGBSYXWAJOAQB-QGZVFWFLSA-N 2 0 323.525 2.901 20 0 DFADRP Cc1cnc2cc(C(=O)N(CC[NH+](C)C)c3ccccc3)ccn12 ZINC000578375785 318256785 /nfs/dbraw/zinc/25/67/85/318256785.db2.gz HBLGJDKRFHLYDP-UHFFFAOYSA-N 2 0 322.412 2.851 20 0 DFADRP FC(F)(F)COCCC[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1 ZINC000578637777 318274774 /nfs/dbraw/zinc/27/47/74/318274774.db2.gz FUFSPNLRHCXKSJ-MELADBBJSA-N 2 0 308.388 2.856 20 0 DFADRP COCCN(C)C[C@H](O)C[N@@H+]1CCCCC[C@H]1c1ccccc1 ZINC000579021903 318302135 /nfs/dbraw/zinc/30/21/35/318302135.db2.gz KJFHDRDJKGGINH-OALUTQOASA-N 2 0 320.477 2.543 20 0 DFADRP CC(C)C[N@@H+]1Cc2cccc(NC(=O)C[NH+]3CC[C@H](C)C3)c2C1 ZINC000579128042 318309501 /nfs/dbraw/zinc/30/95/01/318309501.db2.gz ICZIUYFXMPMTTM-HNNXBMFYSA-N 2 0 315.461 2.939 20 0 DFADRP C[C@@H]1C[C@@H](C)C[NH+](CCCC[NH2+]C[C@@H](O)CC(F)(F)F)C1 ZINC000579463409 318331595 /nfs/dbraw/zinc/33/15/95/318331595.db2.gz ROFZKJKIRRLSCK-MCIONIFRSA-N 2 0 310.404 2.647 20 0 DFADRP [NH3+][C@@H]1CCC[C@@H]([NH2+]Cc2ccc(NC(=O)c3ccco3)cc2)C1 ZINC000579495324 318335511 /nfs/dbraw/zinc/33/55/11/318335511.db2.gz WUVDITORCCXUQB-GDBMZVCRSA-N 2 0 313.401 2.891 20 0 DFADRP O[C@@H]1CC[N@H+](Cc2ccccc2C[NH2+][C@H]2CCCC23CC3)C1 ZINC000579733020 318351429 /nfs/dbraw/zinc/35/14/29/318351429.db2.gz HELZCHWWDZAYBD-MSOLQXFVSA-N 2 0 300.446 2.676 20 0 DFADRP Cc1ccc(C[NH2+]C[C@@H]2CCC[N@H+](C)C2)c(-c2cnn(C)c2)c1 ZINC000579736996 318351441 /nfs/dbraw/zinc/35/14/41/318351441.db2.gz VZLWPKUABULMCG-INIZCTEOSA-N 2 0 312.461 2.827 20 0 DFADRP COc1cc(F)c(C[N@H+](C)CC2CC[NH+](C)CC2)cc1OC ZINC000579959766 318366471 /nfs/dbraw/zinc/36/64/71/318366471.db2.gz FCBHAHWPBCUIKZ-UHFFFAOYSA-N 2 0 310.413 2.617 20 0 DFADRP CC[NH+](CC)CCN(CC(C)C)C(=O)C1CC[NH+](C2CC2)CC1 ZINC000195351846 323281701 /nfs/dbraw/zinc/28/17/01/323281701.db2.gz ANKNEWMZJNMBOF-UHFFFAOYSA-N 2 0 323.525 2.687 20 0 DFADRP C[C@@H]1C[NH2+]CC[C@@H]1N[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000379645727 323291264 /nfs/dbraw/zinc/29/12/64/323291264.db2.gz DMEIMIRLNQZELW-NEPXVJNWSA-N 2 0 301.478 2.627 20 0 DFADRP CCOC[C@H](C)[NH2+][C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000381784848 323295513 /nfs/dbraw/zinc/29/55/13/323295513.db2.gz HDJWJYCCVOSJKY-GDAAHCPNSA-N 2 0 302.462 2.912 20 0 DFADRP C[C@H](NCCC[NH2+]C1CC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000382605854 323301279 /nfs/dbraw/zinc/30/12/79/323301279.db2.gz WUETYESUQZQOEB-FUHWJXTLSA-N 2 0 301.478 2.629 20 0 DFADRP C[C@@H]1C[C@H](C[N@@H+]2CCCN(Cc3ccccc3)C[C@H]2C)CC[NH2+]1 ZINC000382728064 323301577 /nfs/dbraw/zinc/30/15/77/323301577.db2.gz WQYOTDMUHUXGLI-QWFCFKBJSA-N 2 0 315.505 2.971 20 0 DFADRP C[C@@H]1C[C@H](C[N@@H+]2CC[C@@H](C)N(Cc3ccccc3)CC2)CC[NH2+]1 ZINC000382717853 323301698 /nfs/dbraw/zinc/30/16/98/323301698.db2.gz IIPVDUJTYQHGAC-QWFCFKBJSA-N 2 0 315.505 2.971 20 0 DFADRP CC(C)C[C@H]([NH3+])CN(C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000382754114 323302157 /nfs/dbraw/zinc/30/21/57/323302157.db2.gz KELFNVFCDGWFHK-OALUTQOASA-N 2 0 303.494 2.814 20 0 DFADRP CC(C)C[C@H]([NH3+])CN(C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000382754113 323302760 /nfs/dbraw/zinc/30/27/60/323302760.db2.gz KELFNVFCDGWFHK-MOPGFXCFSA-N 2 0 303.494 2.814 20 0 DFADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1Nc1cccc(OCC[NH+](C)C)c1 ZINC000387312443 323323759 /nfs/dbraw/zinc/32/37/59/323323759.db2.gz OJZMSXBRENSXGO-IIDMSEBBSA-N 2 0 305.466 2.768 20 0 DFADRP C[NH2+][C@@H](CC(C)(C)C)C(=O)N1CCC(C[N@H+](C)C(C)C)CC1 ZINC000387490244 323324534 /nfs/dbraw/zinc/32/45/34/323324534.db2.gz YVXRLWAGODAPJG-INIZCTEOSA-N 2 0 311.514 2.589 20 0 DFADRP C[C@@H]([NH2+]CC1(O)CC[NH+](Cc2ccccc2)CC1)c1ccoc1 ZINC000397502704 323355633 /nfs/dbraw/zinc/35/56/33/323355633.db2.gz GGMLSGDNFCTWQX-MRXNPFEDSA-N 2 0 314.429 2.957 20 0 DFADRP CC(C)[C@H](C(=O)Nc1ccc(C[NH+]2CCCC2)cc1)[C@@H](C)[NH3+] ZINC000399551543 323359862 /nfs/dbraw/zinc/35/98/62/323359862.db2.gz AAPIFWCTECGICR-PBHICJAKSA-N 2 0 303.450 2.840 20 0 DFADRP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(OCC[NH+](C)C)cc2)C[C@H](C)O1 ZINC000580281090 323362211 /nfs/dbraw/zinc/36/22/11/323362211.db2.gz IGVSYUANFHVQIW-SCAQPMJSSA-N 2 0 306.450 2.673 20 0 DFADRP OCCN1CCCC[C@@H]1C[NH2+][C@H]1CCc2c1cccc2Cl ZINC000580284786 323363689 /nfs/dbraw/zinc/36/36/89/323363689.db2.gz AYXFTEPBQLCJSX-DYVFJYSZSA-N 2 0 308.853 2.764 20 0 DFADRP C[C@@H](C(=O)Nc1ccc(Cl)cc1)[NH+]1CCC(CC[NH3+])CC1 ZINC000580319228 323370393 /nfs/dbraw/zinc/37/03/93/323370393.db2.gz BCIYFEZNMPYQOA-LBPRGKRZSA-N 2 0 309.841 2.728 20 0 DFADRP C[C@H](CCc1ccc2c(c1)OCO2)[NH2+]Cc1ccc(C[NH3+])cc1 ZINC000580564101 323405249 /nfs/dbraw/zinc/40/52/49/323405249.db2.gz LEFMOJDDMVZLTE-CQSZACIVSA-N 2 0 312.413 2.985 20 0 DFADRP COc1cc2c(cc1C[NH2+]C[C@@H]1CCC[C@H]([NH3+])C1)O[C@@H](C)C2 ZINC000580629475 323412784 /nfs/dbraw/zinc/41/27/84/323412784.db2.gz ITKGLEDOOFTNLW-ZENOOKHLSA-N 2 0 304.434 2.626 20 0 DFADRP CC[NH+](CC)CCn1ccc2cc(NC(=O)[C@@H](C)C[NH3+])ccc21 ZINC000581723626 323565123 /nfs/dbraw/zinc/56/51/23/323565123.db2.gz NKOVQOXBLVOCSM-AWEZNQCLSA-N 2 0 316.449 2.516 20 0 DFADRP CN(CCC[NH+](C)C)C(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C ZINC000582530211 323688414 /nfs/dbraw/zinc/68/84/14/323688414.db2.gz FHFMIAATAYXQIV-KRWDZBQOSA-N 2 0 318.465 2.651 20 0 DFADRP CCOCC[C@@H](O)C[NH2+]Cc1ccccc1C[NH+]1CCCCC1 ZINC000583198907 323812386 /nfs/dbraw/zinc/81/23/86/323812386.db2.gz OYAQROLMEMJVAO-LJQANCHMSA-N 2 0 320.477 2.550 20 0 DFADRP COc1ccccc1N1CCC([NH2+][C@@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000583451363 323858595 /nfs/dbraw/zinc/85/85/95/323858595.db2.gz SJGIWUISSJBZPD-GOEBONIOSA-N 2 0 303.450 2.524 20 0 DFADRP [NH3+][C@@H]1CCC[C@H]([NH2+][C@H]2CCN(c3ccc(Cl)c(F)c3)C2)C1 ZINC000583575433 323882755 /nfs/dbraw/zinc/88/27/55/323882755.db2.gz FKYAVXHJNHFUQX-AGIUHOORSA-N 2 0 311.832 2.917 20 0 DFADRP CCc1cccc(C[NH2+]C(C)(C)CCN2CC[NH+](C)CC2)c1 ZINC000583999136 323947728 /nfs/dbraw/zinc/94/77/28/323947728.db2.gz WYPQOPJRCRKFAH-UHFFFAOYSA-N 2 0 303.494 2.755 20 0 DFADRP C[C@@H]([NH2+]Cc1ccc(N2CCC(C)CC2)nc1)[C@@H]1CCC[NH2+]C1 ZINC000584279226 332204636 /nfs/dbraw/zinc/20/46/36/332204636.db2.gz BWCQFTNAPAONDT-SJLPKXTDSA-N 2 0 316.493 2.796 20 0 DFADRP [NH3+][C@H]1CCC[C@H]([NH2+]CCc2nc3ccccc3n2C(F)F)C1 ZINC000584301864 332231390 /nfs/dbraw/zinc/23/13/90/332231390.db2.gz ITXKKPVKBSWZCQ-RYUDHWBXSA-N 2 0 308.376 2.833 20 0 DFADRP Cc1ccc(C[NH+](C)C)cc1NC(=O)[C@@H]1C[NH2+]Cc2ccccc21 ZINC000584532256 337357161 /nfs/dbraw/zinc/35/71/61/337357161.db2.gz FKUZEPRILQWUDE-GOSISDBHSA-N 2 0 323.440 2.882 20 0 DFADRP OC[C@H](C[NH2+]C1CCN(c2cc[nH+]cc2)CC1)C1CCCCC1 ZINC000297489431 534388344 /nfs/dbraw/zinc/38/83/44/534388344.db2.gz SZGZDQBUGWMTAE-KRWDZBQOSA-N 2 0 317.477 2.829 20 0 DFADRP CC(C)(C)C(=O)N1CCC([NH2+]C2CC([NH+]3CCCCC3)C2)CC1 ZINC000355577796 534431251 /nfs/dbraw/zinc/43/12/51/534431251.db2.gz BOFUNJASQQTIGY-UHFFFAOYSA-N 2 0 321.509 2.630 20 0 DFADRP CC(C)[NH+]1CCC(N2CC[NH+](C[C@H]3CC=CCC3)CC2)CC1 ZINC000354025313 519670580 /nfs/dbraw/zinc/67/05/80/519670580.db2.gz BOTUYXDPSYEYPR-SFHVURJKSA-N 2 0 305.510 2.833 20 0 DFADRP c1cc(N2CCC([NH2+]CCC[C@@H]3CCCCO3)CC2)cc[nH+]1 ZINC000297619770 534469441 /nfs/dbraw/zinc/46/94/41/534469441.db2.gz LGACWRQSOVZTQE-SFHVURJKSA-N 2 0 303.450 2.989 20 0 DFADRP CC[N@H+](C)Cc1cccc(CNC(=O)C[C@H]2CCC[NH2+]CC2)c1 ZINC000364238383 520259568 /nfs/dbraw/zinc/25/95/68/520259568.db2.gz QRILHMNHFMBOEE-INIZCTEOSA-N 2 0 317.477 2.534 20 0 DFADRP CCCOc1ccc(C[NH2+][C@@H]2CC[N@H+](C)[C@H]3CCC[C@@H]32)cn1 ZINC000367617430 520372033 /nfs/dbraw/zinc/37/20/33/520372033.db2.gz NECVRNCQLGEGHM-ZACQAIPSSA-N 2 0 303.450 2.833 20 0 DFADRP NC(=O)c1c[nH+]ccc1NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000302212223 534511391 /nfs/dbraw/zinc/51/13/91/534511391.db2.gz HFQXBVBKLSCMDU-UHFFFAOYSA-N 2 0 324.428 2.779 20 0 DFADRP CCC[C@@H]([NH3+])C(=O)N1CCC[C@@H]([N@H+](C)Cc2ccccc2)CC1 ZINC000364983614 520715650 /nfs/dbraw/zinc/71/56/50/520715650.db2.gz RRRLOWGTTIBLFE-QZTJIDSGSA-N 2 0 317.477 2.627 20 0 DFADRP CCCC[C@@H]([NH3+])C(=O)N1CCC[C@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000154549172 521060569 /nfs/dbraw/zinc/06/05/69/521060569.db2.gz KTPAUOODHBDRTG-GVDBMIGSSA-N 2 0 309.498 2.617 20 0 DFADRP CCC[NH+](CCC)CCCC(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@H]21 ZINC000366328257 521643823 /nfs/dbraw/zinc/64/38/23/521643823.db2.gz ULTHHEQIRMGRAS-QZTJIDSGSA-N 2 0 323.525 2.831 20 0 DFADRP CCc1cc(N2CCC[N@@H+]([C@@H](C)CO)CC2)c2ccccc2[nH+]1 ZINC000364981677 523792784 /nfs/dbraw/zinc/79/27/84/523792784.db2.gz KZBSTKPBDVPZLM-HNNXBMFYSA-N 2 0 313.445 2.690 20 0 DFADRP C[N@@H+]1CC[C@H]([NH2+]CCCn2cnc3ccccc32)[C@@H]2CCC[C@H]21 ZINC000367614792 523987577 /nfs/dbraw/zinc/98/75/77/523987577.db2.gz IULYMKJUEXNOCS-XYJFISCASA-N 2 0 312.461 2.889 20 0 DFADRP Cc1ccccc1C[N@@H+]1CCCN(CCC[NH+]2CCCC2)CC1 ZINC000365063358 525139988 /nfs/dbraw/zinc/13/99/88/525139988.db2.gz APPKGZYDFOPCBE-UHFFFAOYSA-N 2 0 315.505 2.989 20 0 DFADRP CC(C)Cn1cc(C[N@@H+]2C[C@@H](C[NH3+])[C@H](c3ccccc3)C2)cn1 ZINC000261868251 534900527 /nfs/dbraw/zinc/90/05/27/534900527.db2.gz SANOGFPCEYVPBK-MOPGFXCFSA-N 2 0 312.461 2.713 20 0 DFADRP c1cc(CC[N@@H+]2CC[C@H](C[NH+]3CCCC3)C2)cc2c1OCC2 ZINC000266502426 526420962 /nfs/dbraw/zinc/42/09/62/526420962.db2.gz AQECWXDKBLHSNR-QGZVFWFLSA-N 2 0 300.446 2.582 20 0 DFADRP OC1(c2ccccc2)CCC([NH2+]CCC[NH+]2CCCC2)CC1 ZINC000365041531 527513317 /nfs/dbraw/zinc/51/33/17/527513317.db2.gz BFODMDYGPIRVSH-UHFFFAOYSA-N 2 0 302.462 2.892 20 0 DFADRP CCOC(=O)[C@@H]1CC[C@H]([NH2+]Cc2ccc3c[nH+]cn3c2)C[C@H]1C ZINC000297525711 527872841 /nfs/dbraw/zinc/87/28/41/527872841.db2.gz NPILPBTYIGRHKQ-UKPHBRMFSA-N 2 0 315.417 2.792 20 0 DFADRP CC(C)[C@](C)(O)C[NH2+][C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000309695803 527966273 /nfs/dbraw/zinc/96/62/73/527966273.db2.gz DJRABZYLXKOMDW-QXAKKESOSA-N 2 0 304.478 2.894 20 0 DFADRP CC[NH+](CC)C[C@H]1CCN(CC[N@H+](C)Cc2ccccc2)C1 ZINC000295027972 528184147 /nfs/dbraw/zinc/18/41/47/528184147.db2.gz MSXHYZPCKFXPGT-LJQANCHMSA-N 2 0 303.494 2.782 20 0 DFADRP CC[NH+](CC)[C@@H](CNC(=O)[C@@]1(CC)CC[NH2+]C1)c1ccccc1 ZINC000320491459 528242266 /nfs/dbraw/zinc/24/22/66/528242266.db2.gz VUKVVFYTYXZRHJ-HKUYNNGSSA-N 2 0 317.477 2.575 20 0 DFADRP CCC[NH2+][C@H](C)C(=O)NCc1cccc(C[NH+](CC)CC)c1 ZINC000296589288 528555144 /nfs/dbraw/zinc/55/51/44/528555144.db2.gz XKVACPRSENSGSH-OAHLLOKOSA-N 2 0 305.466 2.533 20 0 DFADRP CCC(CC)(CCO)C[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000297322669 528644834 /nfs/dbraw/zinc/64/48/34/528644834.db2.gz CHVMQJNVCSUKDV-UHFFFAOYSA-N 2 0 305.466 2.829 20 0 DFADRP CCC[N@@H+]1CC[C@@H](C[NH2+][C@@H]2CCC(=O)Nc3ccc(F)cc32)C1 ZINC000361033289 534947392 /nfs/dbraw/zinc/94/73/92/534947392.db2.gz JGTQGFPNZASQIL-XJKSGUPXSA-N 2 0 319.424 2.921 20 0 DFADRP CC(C[NH+](C)C[C@@H]1CCCCO1)C[N@H+](C)C[C@@H]1CCCCO1 ZINC000357747861 535176173 /nfs/dbraw/zinc/17/61/73/535176173.db2.gz XICBVMCARVQHDH-ROUUACIJSA-N 2 0 312.498 2.624 20 0 DFADRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H](CC)[C@@H]2CCOC2)[C@@H](C)C1 ZINC000361491931 535525749 /nfs/dbraw/zinc/52/57/49/535525749.db2.gz BPOCPCLNRJUHNP-MLHJIOFPSA-N 2 0 312.498 2.528 20 0 DFADRP CC[N@@H+]1CCC[C@H]1CN(C)C(=O)[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC000361495208 535589334 /nfs/dbraw/zinc/58/93/34/535589334.db2.gz CQJMQSMBDGESGJ-AEFFLSMTSA-N 2 0 321.509 2.584 20 0 DFADRP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@@H](C)C2C(C)(C)C2(C)C)CC1 ZINC000354351426 535719049 /nfs/dbraw/zinc/71/90/49/535719049.db2.gz LBQCKRQYSLZASP-CVEARBPZSA-N 2 0 309.542 2.920 20 0 DFADRP CC[NH+]1CCN([C@@H]2CC[N@H+](Cc3ccc([C@H]4C[C@@H]4C)o3)C2)CC1 ZINC000245701357 535738505 /nfs/dbraw/zinc/73/85/05/535738505.db2.gz DBUIAVPDDYKEAB-JZXOWHBKSA-N 2 0 317.477 2.615 20 0 DFADRP C[NH+](C)Cc1cccc(NC(=O)[C@H]([NH3+])CC2CCCCC2)c1 ZINC000262542337 536040978 /nfs/dbraw/zinc/04/09/78/536040978.db2.gz RGIXIQVUDRQBMJ-QGZVFWFLSA-N 2 0 303.450 2.984 20 0 DFADRP CC[C@H](C)C[NH2+]Cc1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000245539617 536129940 /nfs/dbraw/zinc/12/99/40/536129940.db2.gz OFVNVQRBECNRAG-MAUKXSAKSA-N 2 0 317.477 2.520 20 0 DFADRP COC(=O)C[C@@H]1CC[C@@H]([NH2+]C2CC(C)(C)[NH2+]C(C)(C)C2)[C@H]1C ZINC000354579103 536317569 /nfs/dbraw/zinc/31/75/69/536317569.db2.gz UECZTDNAXMKEKI-KCQAQPDRSA-N 2 0 310.482 2.863 20 0 DFADRP COc1cc(C)c(C[N@@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)cc1OC ZINC000262065368 536572892 /nfs/dbraw/zinc/57/28/92/536572892.db2.gz FLHYNFFXVFSACV-IMJJTQAJSA-N 2 0 304.434 2.571 20 0 DFADRP COC1(C[NH+]2CCC(C[NH+]3C[C@@H](C)O[C@H](C)C3)CC2)CCCC1 ZINC000361580061 536622923 /nfs/dbraw/zinc/62/29/23/536622923.db2.gz VSKIJOFLUNPMFI-IAGOWNOFSA-N 2 0 324.509 2.767 20 0 DFADRP CC[NH+](CC)CCOCC[NH2+]Cc1nccc2ccccc21 ZINC000680483072 545500996 /nfs/dbraw/zinc/50/09/96/545500996.db2.gz CZUQIZASANUFDA-UHFFFAOYSA-N 2 0 301.434 2.683 20 0 DFADRP Cc1ccc2[nH+]ccc(N3CCN([C@H]4CCC[N@@H+](C)C4)CC3)c2c1 ZINC000680623610 545520731 /nfs/dbraw/zinc/52/07/31/545520731.db2.gz ZAYHDGGXNWEJOV-KRWDZBQOSA-N 2 0 324.472 2.759 20 0 DFADRP C[NH+](C)CCOc1ccc(C[NH2+]CCCC2CCOCC2)cc1 ZINC000680948496 545568481 /nfs/dbraw/zinc/56/84/81/545568481.db2.gz MCIKOSAMIWYDBO-UHFFFAOYSA-N 2 0 320.477 2.923 20 0 DFADRP C/C=C\C[C@H](CO)[NH2+]Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000681135861 545601795 /nfs/dbraw/zinc/60/17/95/545601795.db2.gz IODIRMCNTVKXPL-LHRDXKRPSA-N 2 0 318.461 2.578 20 0 DFADRP C[C@@H]([NH2+]Cc1cc(COC(C)(C)C)on1)C1CC[NH+](C)CC1 ZINC000681600382 545679086 /nfs/dbraw/zinc/67/90/86/545679086.db2.gz DLAFFTIEPFVQJZ-CYBMUJFWSA-N 2 0 309.454 2.810 20 0 DFADRP CC[NH+](CC)CCO[C@H]1CC[N@@H+]([C@@H](C)c2cnc(C)nc2C)C1 ZINC000682069846 545787479 /nfs/dbraw/zinc/78/74/79/545787479.db2.gz AHIITMYDLYJWAS-RDJZCZTQSA-N 2 0 320.481 2.587 20 0 DFADRP C[C@@H](C[NH+]1CCN([C@@H]2CCC[N@H+](C)C2)CC1)c1ccc(F)cc1 ZINC000682154445 545805782 /nfs/dbraw/zinc/80/57/82/545805782.db2.gz CNAWWQXJFZNMSC-QFBILLFUSA-N 2 0 319.468 2.641 20 0 DFADRP C[C@@H]1CCSCC[N@@H+]1Cc1ccc(OCC[NH+](C)C)cc1 ZINC000683001217 545957529 /nfs/dbraw/zinc/95/75/29/545957529.db2.gz PZLKXIWTZQSNBX-OAHLLOKOSA-N 2 0 308.491 2.954 20 0 DFADRP CC[NH+](CC)CCCN1CC[C@@H]([N@H+](C)Cc2ccccc2)C1 ZINC000683140892 545978562 /nfs/dbraw/zinc/97/85/62/545978562.db2.gz HRJHJAKPWNMWEH-LJQANCHMSA-N 2 0 303.494 2.925 20 0 DFADRP C[NH+](C)CCOc1ccc(CN2CCC[C@@H]([NH+](C)C)CC2)cc1 ZINC000683357834 546018696 /nfs/dbraw/zinc/01/86/96/546018696.db2.gz ABTCMXSMSDOIHP-GOSISDBHSA-N 2 0 319.493 2.543 20 0 DFADRP CO[C@@H](c1ccccc1)[C@@H](C)[NH2+]CC1(O)CC[NH+](C(C)C)CC1 ZINC000683817910 546101538 /nfs/dbraw/zinc/10/15/38/546101538.db2.gz KCUNYQYUTPIXDB-SJLPKXTDSA-N 2 0 320.477 2.588 20 0 DFADRP C[NH+](C)CC1(C(=O)N2CCC[C@H]2[C@H]2CCC[N@@H+]2C)CCCCC1 ZINC000683848385 546107974 /nfs/dbraw/zinc/10/79/74/546107974.db2.gz OWLVIJZNBBLWQB-SJORKVTESA-N 2 0 321.509 2.584 20 0 DFADRP O[C@@H]1CCC[C@H]1[NH+]1CCC([NH2+]Cc2cc3ccccc3[nH]2)CC1 ZINC000683929645 546121772 /nfs/dbraw/zinc/12/17/72/546121772.db2.gz URTDPBGDNJPNIW-RTBURBONSA-N 2 0 313.445 2.635 20 0 DFADRP O[C@H]1CCC[C@@H]1[NH+]1CCC([NH2+]Cc2cc3ccccc3[nH]2)CC1 ZINC000683929643 546121993 /nfs/dbraw/zinc/12/19/93/546121993.db2.gz URTDPBGDNJPNIW-OALUTQOASA-N 2 0 313.445 2.635 20 0 DFADRP C[NH+](C)CCOc1ccc(C[N@@H+]2CCO[C@H](C(C)(C)C)C2)cc1 ZINC000684145431 546158372 /nfs/dbraw/zinc/15/83/72/546158372.db2.gz AJLZPBQLFFKBHZ-SFHVURJKSA-N 2 0 320.477 2.874 20 0 DFADRP CCC(=O)N1CCC([NH2+]C[C@H]2CCC[N@@H+]2C2CCCCC2)CC1 ZINC000684768065 546276753 /nfs/dbraw/zinc/27/67/53/546276753.db2.gz FISWOCDPNYIFRY-GOSISDBHSA-N 2 0 321.509 2.774 20 0 DFADRP CCc1[nH+]c2ccccc2c(N2CC[NH+](C[C@@H](C)O)CC2)c1C ZINC000684889849 546297760 /nfs/dbraw/zinc/29/77/60/546297760.db2.gz IMLMEVDVWLYNTC-CQSZACIVSA-N 2 0 313.445 2.608 20 0 DFADRP CC(C)[C@H](CO)C[NH2+][C@@H]1C[C@@H](C)CN(Cc2ccccc2)C1 ZINC000685448666 546351708 /nfs/dbraw/zinc/35/17/08/546351708.db2.gz IUVMERGBYGDPCQ-NZSAHSFTSA-N 2 0 304.478 2.751 20 0 DFADRP CC1=CCC[C@H](C)[C@@H]1C[N@H+](C)CCN(C)C1CC[NH+](C)CC1 ZINC000685454795 546352037 /nfs/dbraw/zinc/35/20/37/546352037.db2.gz RMALOMYOTVWISF-PKOBYXMFSA-N 2 0 307.526 2.937 20 0 DFADRP CC1=CCC[C@H](C)[C@H]1C[N@H+](C)CCN(C)C1CC[NH+](C)CC1 ZINC000685454792 546352351 /nfs/dbraw/zinc/35/23/51/546352351.db2.gz RMALOMYOTVWISF-HKUYNNGSSA-N 2 0 307.526 2.937 20 0 DFADRP CN(CC[N@H+](C)CC(C)(C)c1ccccc1)C1CC[NH+](C)CC1 ZINC000685454658 546352713 /nfs/dbraw/zinc/35/27/13/546352713.db2.gz OJAPQKIVFODWCN-UHFFFAOYSA-N 2 0 317.521 2.922 20 0 DFADRP CCc1ccc(C[N@H+](C)[C@H]2CCN(C3CC[NH+](C)CC3)C2)s1 ZINC000685458037 546353309 /nfs/dbraw/zinc/35/33/09/546353309.db2.gz YROKZGRTRBSHRF-INIZCTEOSA-N 2 0 321.534 2.911 20 0 DFADRP C[C@H](C[NH+]1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1)C(C)(C)C ZINC000685460412 546353770 /nfs/dbraw/zinc/35/37/70/546353770.db2.gz IRJJFNQBUKNLRR-HRBLRVMOSA-N 2 0 307.526 2.911 20 0 DFADRP CC[NH+](CC)CCC[C@H](C)[NH2+]Cc1cc(-c2nn[nH]n2)cs1 ZINC000821190135 606207037 /nfs/dbraw/zinc/20/70/37/606207037.db2.gz ZBLDVZMGOMDWRI-LBPRGKRZSA-N 2 0 322.482 2.528 20 0 DFADRP CCC[C@H]([NH2+]CCCN1CC[NH+](C)CC1)c1ccc(OC)cc1 ZINC000162491474 197570323 /nfs/dbraw/zinc/57/03/23/197570323.db2.gz PPTGZFDMCDOWQZ-IBGZPJMESA-N 2 0 319.493 2.764 20 0 DFADRP Brc1cncc(C[NH2+]CC2CC[NH+](C3CC3)CC2)c1 ZINC000278486022 214185784 /nfs/dbraw/zinc/18/57/84/214185784.db2.gz KJYKDKAXJUNYNF-UHFFFAOYSA-N 2 0 324.266 2.808 20 0 DFADRP CC(=O)Nc1ccccc1C[NH2+]CC1CC[NH+](C2CC2)CC1 ZINC000278535980 214219971 /nfs/dbraw/zinc/21/99/71/214219971.db2.gz VZQAWUZEHYLJLQ-UHFFFAOYSA-N 2 0 301.434 2.609 20 0 DFADRP CC(C)N(C)c1ccc(C[NH2+]CC2CC[NH+](C3CC3)CC2)cn1 ZINC000278553147 214232416 /nfs/dbraw/zinc/23/24/16/214232416.db2.gz ZMHKVSMWWYSIEB-UHFFFAOYSA-N 2 0 316.493 2.890 20 0 DFADRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+]Cc1sccc1Cl ZINC000278684120 214323284 /nfs/dbraw/zinc/32/32/84/214323284.db2.gz IEZSSMHTVZUMON-GFCCVEGCSA-N 2 0 301.887 2.517 20 0 DFADRP Cc1nccn1[C@@H]1CCC[N@@H+]([C@H](C)C(=O)NC2CCCCC2)C1 ZINC000591906856 398349503 /nfs/dbraw/zinc/34/95/03/398349503.db2.gz UAIGDBMBNWCKJO-RHSMWYFYSA-N 2 0 318.465 2.666 20 0 DFADRP Cc1nccn1[C@H]1CCC[N@@H+]([C@H](C)C(=O)NC2CCCCC2)C1 ZINC000591906855 398349522 /nfs/dbraw/zinc/34/95/22/398349522.db2.gz UAIGDBMBNWCKJO-PBHICJAKSA-N 2 0 318.465 2.666 20 0 DFADRP CCC[NH+]1CCC(NCC(=O)Nc2c(C)cccc2C)CC1 ZINC000236776792 398364754 /nfs/dbraw/zinc/36/47/54/398364754.db2.gz HMJIOJNEBKGIFK-UHFFFAOYSA-N 2 0 303.450 2.706 20 0 DFADRP O=C(NCCCCC[NH+]1CCCCC1)[C@@H]1C[C@H]2CCCC[N@@H+]2C1 ZINC000081718439 398368184 /nfs/dbraw/zinc/36/81/84/398368184.db2.gz UFSHBEBHLRXDRO-QZTJIDSGSA-N 2 0 321.509 2.633 20 0 DFADRP O=C(NCCCCC[NH+]1CCCCC1)[C@@H]1C[C@@H]2CCCC[N@@H+]2C1 ZINC000081718433 398368234 /nfs/dbraw/zinc/36/82/34/398368234.db2.gz UFSHBEBHLRXDRO-MSOLQXFVSA-N 2 0 321.509 2.633 20 0 DFADRP CC[C@H](C)C[NH+]1CCN(CC[N@H+](C)Cc2ccccc2)CC1 ZINC000088506489 185254436 /nfs/dbraw/zinc/25/44/36/185254436.db2.gz FOVYETURPSZJMF-SFHVURJKSA-N 2 0 303.494 2.782 20 0 DFADRP C[C@H]1CCCC[N@@H+]1CCC1CC[NH+](CCc2cn[nH]c2)CC1 ZINC000459355386 299086678 /nfs/dbraw/zinc/08/66/78/299086678.db2.gz BXDBCAQTQBOPRR-INIZCTEOSA-N 2 0 304.482 2.929 20 0 DFADRP CCC[NH+]1CCC(N(C)C(=O)[C@H](C)[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC000413205262 295686210 /nfs/dbraw/zinc/68/62/10/295686210.db2.gz AUYKHHUJXLMRGT-OAGGEKHMSA-N 2 0 309.498 2.581 20 0 DFADRP C[NH+](C)CCN1CCC([NH2+]Cc2ccc(C3CC3)cc2)CC1 ZINC000459358600 299087695 /nfs/dbraw/zinc/08/76/95/299087695.db2.gz BKUYVEXECOLESG-UHFFFAOYSA-N 2 0 301.478 2.680 20 0 DFADRP C[C@@H]([NH2+]Cc1ccc(C(=O)NCC[NH+](C)C)cc1)C(C)(C)C ZINC000090038611 185279198 /nfs/dbraw/zinc/27/91/98/185279198.db2.gz ZZFLDZZPEKXOQD-CQSZACIVSA-N 2 0 305.466 2.502 20 0 DFADRP C[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccc(C(=O)NCC[NH+](C)C)cc1 ZINC000090038839 185279321 /nfs/dbraw/zinc/27/93/21/185279321.db2.gz WNXWYJGKHKPEDM-QAPCUYQASA-N 2 0 317.477 2.646 20 0 DFADRP CC[N@@H+]1CC[C@H]([NH2+]CCc2nc3cc(F)ccc3n2C)[C@H](C)C1 ZINC000090043824 185279517 /nfs/dbraw/zinc/27/95/17/185279517.db2.gz RXXVIEMKHJKTKI-HIFRSBDPSA-N 2 0 318.440 2.575 20 0 DFADRP CC(C)[NH+]1CCC(O)(C[NH2+]C2CC(c3ccccc3)C2)CC1 ZINC000272835384 210232603 /nfs/dbraw/zinc/23/26/03/210232603.db2.gz GFODFNUAJRYQTK-UHFFFAOYSA-N 2 0 302.462 2.758 20 0 DFADRP CC1(c2ccccc2)CC([NH2+]CCCC[NH+]2CCOCC2)C1 ZINC000459373155 299089535 /nfs/dbraw/zinc/08/95/35/299089535.db2.gz JSFSQSNIUFBTKN-UHFFFAOYSA-N 2 0 302.462 2.809 20 0 DFADRP CC(C)C[C@H]([NH3+])C(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000166691624 197696764 /nfs/dbraw/zinc/69/67/64/197696764.db2.gz NLWPDVFEEPMSNJ-INIZCTEOSA-N 2 0 321.490 2.547 20 0 DFADRP COc1cc(C[NH+]2CCC(CC[NH+](C)C)CC2)cc2c1OCO2 ZINC000092380894 185314813 /nfs/dbraw/zinc/31/48/13/185314813.db2.gz ZIFZPTVJLNZXEB-UHFFFAOYSA-N 2 0 320.433 2.588 20 0 DFADRP CCO[C@@H]1C[C@@H]([NH2+]C2CC[NH+](C(C)(C)C)CC2)[C@H]1SC ZINC000459387064 299093263 /nfs/dbraw/zinc/09/32/63/299093263.db2.gz JBUGVZNRPGKEQZ-RBSFLKMASA-N 2 0 300.512 2.748 20 0 DFADRP Cc1ccoc1C[NH+]1CCC(C[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000092587421 185327324 /nfs/dbraw/zinc/32/73/24/185327324.db2.gz XDEBGIIGKAQWGU-HOTGVXAUSA-N 2 0 306.450 2.909 20 0 DFADRP C[C@H]([NH2+]CCN1CC[NH+](Cc2ccccc2)CC1)c1cccnc1 ZINC000092720546 185336043 /nfs/dbraw/zinc/33/60/43/185336043.db2.gz MDWAJBZYRNTSQZ-SFHVURJKSA-N 2 0 324.472 2.550 20 0 DFADRP CC1(c2ccccc2)CC([NH2+]CCCC[N@@H+]2CCC[C@H]2CO)C1 ZINC000459416056 299100836 /nfs/dbraw/zinc/10/08/36/299100836.db2.gz SEKMDXZMMLRKGZ-GPJFCIFZSA-N 2 0 316.489 2.933 20 0 DFADRP CCCCNC(=O)[C@@H](C)[NH+]1CCC(C[N@H+](C)CCCC)CC1 ZINC000066960755 398410964 /nfs/dbraw/zinc/41/09/64/398410964.db2.gz QNGNRKGWLFZFDO-MRXNPFEDSA-N 2 0 311.514 2.735 20 0 DFADRP CCCCNC(=O)[C@H](C)[NH+]1CCC(C[N@H+](C)CCCC)CC1 ZINC000066960757 398411007 /nfs/dbraw/zinc/41/10/07/398411007.db2.gz QNGNRKGWLFZFDO-INIZCTEOSA-N 2 0 311.514 2.735 20 0 DFADRP CCO[C@@H]1C[C@H]([NH2+]CCC2CC[NH+](CC)CC2)[C@@H]1SC ZINC000459423510 299103166 /nfs/dbraw/zinc/10/31/66/299103166.db2.gz PHRYXEWIIZBYRQ-XHSDSOJGSA-N 2 0 300.512 2.607 20 0 DFADRP C[C@@H]([NH2+]CC[C@@H]1CC[NH2+]C1)c1ccc(-n2cncn2)cc1Cl ZINC000584834074 398418530 /nfs/dbraw/zinc/41/85/30/398418530.db2.gz SKDBWRYOEALMCJ-OLZOCXBDSA-N 2 0 319.840 2.571 20 0 DFADRP C[NH+](C)Cc1cccc(C[NH2+]C[C@@H](O)CCc2ccccc2)c1 ZINC000584834568 398419186 /nfs/dbraw/zinc/41/91/86/398419186.db2.gz RHPAVYPMNYEAFH-FQEVSTJZSA-N 2 0 312.457 2.832 20 0 DFADRP C[N@H+](CCCNC(=O)C[C@@H]1CCCC[C@H]1[NH3+])Cc1ccccc1 ZINC000309750644 529889386 /nfs/dbraw/zinc/88/93/86/529889386.db2.gz ZFUOZGFDOBPDCR-ZWKOTPCHSA-N 2 0 317.477 2.532 20 0 DFADRP CC[N@H+](C)[C@@H](C(=O)N(C)CC[C@H]([NH3+])C(C)C)c1ccccc1 ZINC000262608835 398432460 /nfs/dbraw/zinc/43/24/60/398432460.db2.gz UIVPSVKIPWFKQB-DLBZAZTESA-N 2 0 305.466 2.511 20 0 DFADRP CCc1nc(C[NH2+]CCCC[NH+]2C[C@@H](C)O[C@H](C)C2)cs1 ZINC000067452508 398434808 /nfs/dbraw/zinc/43/48/08/398434808.db2.gz FQWCVJOWUZOCMM-ZIAGYGMSSA-N 2 0 311.495 2.685 20 0 DFADRP C[C@H]([NH2+]CC1CCN(c2cc[nH+]cc2)CC1)C1CCOCC1 ZINC000089215625 398444318 /nfs/dbraw/zinc/44/43/18/398444318.db2.gz YGNCVCNYKDRVND-HNNXBMFYSA-N 2 0 303.450 2.703 20 0 DFADRP COC(=O)[C@@H](CC(C)C)[N@@H+]1CC[C@H](CNc2cc(C)cc[nH+]2)C1 ZINC000586763961 398455319 /nfs/dbraw/zinc/45/53/19/398455319.db2.gz JLVMUIWZUCGRTF-HZPDHXFCSA-N 2 0 319.449 2.712 20 0 DFADRP CC[NH+](CC)Cc1ccc(C(=O)NC[C@@H](C)[NH+]2CCCC2)cc1 ZINC000068064776 398475849 /nfs/dbraw/zinc/47/58/49/398475849.db2.gz CLNJMNGAMMMUSQ-MRXNPFEDSA-N 2 0 317.477 2.743 20 0 DFADRP CCO[C@@H]1C[C@H]([NH2+]CC[C@@H](C)[NH+]2CCCCC2)[C@@H]1SC ZINC000459480566 299117518 /nfs/dbraw/zinc/11/75/18/299117518.db2.gz LWMKNYWZNUWGSA-QXSJWSMHSA-N 2 0 300.512 2.750 20 0 DFADRP COC(=O)c1cc([C@H](C)N2CC[C@]3(C2)CCC[N@H+](C)C3)oc1C ZINC000292893457 398487166 /nfs/dbraw/zinc/48/71/66/398487166.db2.gz GBKCYVFEWMYNPI-SCLBCKFNSA-N 2 0 320.433 2.853 20 0 DFADRP Oc1cccc2c1C[C@@H]([NH2+]C1CCN(c3cc[nH+]cc3)CC1)C2 ZINC000459514720 299122924 /nfs/dbraw/zinc/12/29/24/299122924.db2.gz UJCSKEVNHLRMAB-INIZCTEOSA-N 2 0 309.413 2.513 20 0 DFADRP CCCC[C@H](COC)[NH2+]C1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000090524286 398487970 /nfs/dbraw/zinc/48/79/70/398487970.db2.gz DBYWXPDKMYWNPB-SQNIBIBYSA-N 2 0 312.498 2.549 20 0 DFADRP C[C@H]([NH2+]C[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1)c1cnn(C)c1 ZINC000090708596 398492117 /nfs/dbraw/zinc/49/21/17/398492117.db2.gz RTISBOQCHCKHSX-RYRKJORJSA-N 2 0 312.461 2.981 20 0 DFADRP CC(C)C(=O)NCCC[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000090881266 398494952 /nfs/dbraw/zinc/49/49/52/398494952.db2.gz UMDRQTLNJRBAFA-UHFFFAOYSA-N 2 0 309.498 2.535 20 0 DFADRP C[C@H](CC[NH+](C)C)N[C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272690131 210094771 /nfs/dbraw/zinc/09/47/71/210094771.db2.gz VOWCSDBGUZZXBK-AOIWGVFYSA-N 2 0 303.494 2.827 20 0 DFADRP C(NC1CC[NH+](C2CC2)CC1)[C@@H]1CCC[N@@H+]1C1CCCCC1 ZINC000459542944 299130104 /nfs/dbraw/zinc/13/01/04/299130104.db2.gz OUWFFYAFIHZMNT-IBGZPJMESA-N 2 0 305.510 3.000 20 0 DFADRP CCCC[C@H]([NH3+])C(=O)NC[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000236807333 535044500 /nfs/dbraw/zinc/04/45/00/535044500.db2.gz IENWXJDYZRSTPP-ROUUACIJSA-N 2 0 317.477 2.675 20 0 DFADRP C[C@H](NC[C@@H]1CCC[N@@H+]1C)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000272674586 210079219 /nfs/dbraw/zinc/07/92/19/210079219.db2.gz QOFXJAMPHBLNSU-WDSOQIARSA-N 2 0 301.478 2.581 20 0 DFADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+][C@@H](c2cccnc2)C(C)C)CC1 ZINC000091320868 398525816 /nfs/dbraw/zinc/52/58/16/398525816.db2.gz LMMJZQZNSFRAML-PKOBYXMFSA-N 2 0 318.509 2.642 20 0 DFADRP CC(C)[C@@H]([NH2+]CC1CC[NH+](CCN(C)C)CC1)c1cccnc1 ZINC000091333155 398526601 /nfs/dbraw/zinc/52/66/01/398526601.db2.gz UTBBAEVQTATEEK-LJQANCHMSA-N 2 0 318.509 2.642 20 0 DFADRP CC[C@@H]([NH2+]Cc1ccc(N2CC[NH+](C)CC2)nc1)[C@@H]1CC1(C)C ZINC000414058981 295762064 /nfs/dbraw/zinc/76/20/64/295762064.db2.gz IDQSDNSTPHIURR-DLBZAZTESA-N 2 0 316.493 2.748 20 0 DFADRP CC[C@H]([NH2+]Cc1ccc(N2CC[NH+](CC)CC2)nc1)[C@H]1C[C@H]1C ZINC000414082851 295765301 /nfs/dbraw/zinc/76/53/01/295765301.db2.gz WMINNOYUWOHHMH-NJAFHUGGSA-N 2 0 316.493 2.748 20 0 DFADRP CCOC(=O)CCCCCN1CCc2ccccc2[C@H]1C[NH3+] ZINC000317591213 398535509 /nfs/dbraw/zinc/53/55/09/398535509.db2.gz YNCPQVCUPFOOOQ-QGZVFWFLSA-N 2 0 304.434 2.668 20 0 DFADRP CCOC(=O)CCCCCN1CCc2ccccc2[C@@H]1C[NH3+] ZINC000317591209 398535803 /nfs/dbraw/zinc/53/58/03/398535803.db2.gz YNCPQVCUPFOOOQ-KRWDZBQOSA-N 2 0 304.434 2.668 20 0 DFADRP CC[C@H]([NH2+]Cc1cccc(C(=O)NCC[NH+](C)C)c1)[C@H]1C[C@@H]1C ZINC000414085403 295765699 /nfs/dbraw/zinc/76/56/99/295765699.db2.gz YLOKTYSHPNYGMS-WBAXXEDZSA-N 2 0 317.477 2.502 20 0 DFADRP CC[C@H]([NH2+]Cc1ccc(C(=O)NCC[NH+](C)C)cc1)[C@H]1C[C@H]1C ZINC000414107834 295768319 /nfs/dbraw/zinc/76/83/19/295768319.db2.gz ZGLNBHWCDOKARE-JLSDUUJJSA-N 2 0 317.477 2.502 20 0 DFADRP CC[C@H]([NH2+]Cc1ccncc1OCC[NH+](C)C)[C@@H]1CC1(C)C ZINC000414165581 295773361 /nfs/dbraw/zinc/77/33/61/295773361.db2.gz PXEKOQBPJNOMDG-HOTGVXAUSA-N 2 0 305.466 2.936 20 0 DFADRP C[C@H]([NH2+]Cc1ccc2c[nH+]cn2c1)c1ccc(C(=O)N(C)C)cc1 ZINC000414193233 295776457 /nfs/dbraw/zinc/77/64/57/295776457.db2.gz UMNSXJQFBMEKNY-AWEZNQCLSA-N 2 0 322.412 2.887 20 0 DFADRP CC[NH+]1CCC(C[NH2+]Cc2ccc(C(=O)OC)c(Cl)c2)CC1 ZINC000597055092 398556826 /nfs/dbraw/zinc/55/68/26/398556826.db2.gz AGMFYMWOCKPYQA-UHFFFAOYSA-N 2 0 324.852 2.948 20 0 DFADRP C[C@H]([NH2+][C@H]1CCC[C@@H](CO)C1)c1cccc(OCC[NH+](C)C)c1 ZINC000414330851 295788591 /nfs/dbraw/zinc/78/85/91/295788591.db2.gz FGHZHPGCLBKDOG-JZXOWHBKSA-N 2 0 320.477 2.829 20 0 DFADRP COC(=O)c1ccc(CN2CCC[C@H]3C[N@H+](C)CC[C@@H]32)cc1F ZINC000597133382 398572967 /nfs/dbraw/zinc/57/29/67/398572967.db2.gz SSWZJALHRJOLJA-YOEHRIQHSA-N 2 0 320.408 2.528 20 0 DFADRP CSC1(C[NH2+]CC2CC[NH+](Cc3ccncc3)CC2)CC1 ZINC000597192463 398586508 /nfs/dbraw/zinc/58/65/08/398586508.db2.gz RJJHWXHCTKKGLV-UHFFFAOYSA-N 2 0 305.491 2.779 20 0 DFADRP Cn1cnc(CC[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)c1 ZINC000459673448 299162159 /nfs/dbraw/zinc/16/21/59/299162159.db2.gz YYHPHFFDQSSRGT-IHWFROFDSA-N 2 0 324.472 2.748 20 0 DFADRP COC(=O)[C@H]1C[C@@H]([NH2+]C2CC[NH+]([C@H]3CCC[C@H](C)C3)CC2)C1 ZINC000597220665 398594403 /nfs/dbraw/zinc/59/44/03/398594403.db2.gz ISSOCLFSIAUAGM-DIECFANBSA-N 2 0 308.466 2.571 20 0 DFADRP CCOC(=O)[C@@]1(C)CCC[C@H]1[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000597241237 398603699 /nfs/dbraw/zinc/60/36/99/398603699.db2.gz QSXBQXWAGOPSBZ-AEFFLSMTSA-N 2 0 308.466 2.572 20 0 DFADRP CCO[C@@H]1C[C@H]([NH2+]C[C@@H]2CCC[N@H+](CC3CC3)C2)[C@H]1SC ZINC000597257791 398609313 /nfs/dbraw/zinc/60/93/13/398609313.db2.gz WIEGFJVCRHDQRD-MWDXBVQZSA-N 2 0 312.523 2.607 20 0 DFADRP C[NH+](C)Cc1cccc(NC(=O)NCC2([NH+](C)C)CCCC2)c1 ZINC000043147060 398614524 /nfs/dbraw/zinc/61/45/24/398614524.db2.gz USQFSBHHFHBETL-UHFFFAOYSA-N 2 0 318.465 2.744 20 0 DFADRP O=C(CC[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1)Nc1cccc(F)c1 ZINC000150749904 186063045 /nfs/dbraw/zinc/06/30/45/186063045.db2.gz DUYOHLORNNFUDQ-OAHLLOKOSA-N 2 0 319.424 2.572 20 0 DFADRP C[C@H]([NH2+]C[C@@H](O)C(C)(C)C)c1cccc(OCC[NH+](C)C)c1 ZINC000164042317 186146955 /nfs/dbraw/zinc/14/69/55/186146955.db2.gz ZQOLATLOUVHHJE-WMLDXEAASA-N 2 0 308.466 2.685 20 0 DFADRP CC[N@H+](C)[C@H](C(=O)NC1CC[NH+](C(C)C)CC1)c1ccccc1 ZINC000171475642 186165809 /nfs/dbraw/zinc/16/58/09/186165809.db2.gz HOTOXLOADBRXEC-SFHVURJKSA-N 2 0 317.477 2.668 20 0 DFADRP COC(=O)[C@@H]1CCC[C@@H]1[NH2+]C1CC[NH+]([C@H]2CCC[C@H](C)C2)CC1 ZINC000590658601 398647289 /nfs/dbraw/zinc/64/72/89/398647289.db2.gz UOOGCOMDGBYESH-OWLYRPNTSA-N 2 0 322.493 2.961 20 0 DFADRP C[C@@H]1CCC[N@H+](Cc2ccc(NC(=O)[C@@H]3CC[C@@H]([NH3+])C3)cc2)C1 ZINC000237478986 186295616 /nfs/dbraw/zinc/29/56/16/186295616.db2.gz PUVAGCDAACFJNK-DJIMGWMZSA-N 2 0 315.461 2.984 20 0 DFADRP C[C@@H]([NH2+]CCC[NH+]1CCCC1)c1cccc(N2CCOCC2)c1 ZINC000268743013 186374669 /nfs/dbraw/zinc/37/46/69/186374669.db2.gz QUMWLUSDVBIYRO-QGZVFWFLSA-N 2 0 317.477 2.660 20 0 DFADRP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NCCC[NH+]1CCCC1 ZINC000268753930 186379352 /nfs/dbraw/zinc/37/93/52/186379352.db2.gz WOJCLHJEWSYKHF-ICSRJNTNSA-N 2 0 315.505 2.973 20 0 DFADRP COC(=O)c1ccc(C[N@H+](C)CC2CC[NH+](C)CC2)cc1Cl ZINC000590695119 398653566 /nfs/dbraw/zinc/65/35/66/398653566.db2.gz RZSNJIGCOVAZFC-UHFFFAOYSA-N 2 0 324.852 2.900 20 0 DFADRP CC[NH+](CC)CCN(CCC(F)(F)F)C[C@H]1CC[NH2+][C@@H](C)C1 ZINC000414710409 295818120 /nfs/dbraw/zinc/81/81/20/295818120.db2.gz QYYMOIQELXZFGE-GJZGRUSLSA-N 2 0 323.447 2.971 20 0 DFADRP COc1cc2c(c(C[NH2+]CC[C@@H]3CCC[N@H+](C)C3)c1)O[C@@H](C)C2 ZINC000459731304 299174658 /nfs/dbraw/zinc/17/46/58/299174658.db2.gz LKFMWKKSRHVBLO-GJZGRUSLSA-N 2 0 318.461 2.840 20 0 DFADRP COc1cc(C[NH2+]CC[C@H]2CCC[N@H+](C)C2)cc(OC)c1OC ZINC000459732772 299175558 /nfs/dbraw/zinc/17/55/58/299175558.db2.gz MWMWSOYVBUEJOS-CQSZACIVSA-N 2 0 322.449 2.534 20 0 DFADRP C[C@@H]1C[C@H]([NH2+]CC[C@@H]2CCC[N@H+](C)C2)CN1Cc1ccccc1 ZINC000459734297 299176756 /nfs/dbraw/zinc/17/67/56/299176756.db2.gz OKTLQMQYOZWAIA-HOJAQTOUSA-N 2 0 315.505 2.971 20 0 DFADRP C[C@H](CC(=O)Nc1ccc(F)cc1)[NH2+][C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000414823128 295822245 /nfs/dbraw/zinc/82/22/45/295822245.db2.gz AZRVLMNZBMRGKC-MGPQQGTHSA-N 2 0 307.413 2.521 20 0 DFADRP CCOc1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1OCC ZINC000414827341 295823087 /nfs/dbraw/zinc/82/30/87/295823087.db2.gz KKISTTWWJLBIDV-XYPWUTKMSA-N 2 0 304.434 2.857 20 0 DFADRP CCCCOc1cc(C[NH2+]CC[C@@H]2CC[NH2+]C2)ccc1OC ZINC000414829202 295823393 /nfs/dbraw/zinc/82/33/93/295823393.db2.gz KJDWIFWCMVUKFI-HNNXBMFYSA-N 2 0 306.450 2.963 20 0 DFADRP C[C@@H](CCc1ccc2c(c1)OCO2)[NH2+]CC[C@@H]1CCC[NH2+]C1 ZINC000414831296 295823569 /nfs/dbraw/zinc/82/35/69/295823569.db2.gz CVRIWXZOCDFWSZ-HOCLYGCPSA-N 2 0 304.434 2.716 20 0 DFADRP CC[C@@H](Cc1ccc(OC)c(OC)c1)[NH2+]CC[C@@H]1CC[NH2+]C1 ZINC000414827528 295822929 /nfs/dbraw/zinc/82/29/29/295822929.db2.gz HEHDYGYWGVJBNX-HOCLYGCPSA-N 2 0 306.450 2.614 20 0 DFADRP Cc1cccc(NC(=O)C[C@@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)c1C ZINC000414835492 295823928 /nfs/dbraw/zinc/82/39/28/295823928.db2.gz UGHQKZYKNXFWMO-KTFSGNIMSA-N 2 0 315.461 2.893 20 0 DFADRP COc1cc2c(cc1C[NH2+]CCC1CC[NH+](C)CC1)O[C@H](C)C2 ZINC000378927563 398657884 /nfs/dbraw/zinc/65/78/84/398657884.db2.gz VBPONZMYCVESMV-CQSZACIVSA-N 2 0 318.461 2.840 20 0 DFADRP CCCCOc1ccc(C[NH2+]CC[C@@H]2CC[NH2+]C2)cc1OC ZINC000414835966 295824207 /nfs/dbraw/zinc/82/42/07/295824207.db2.gz SIMKJUZEVREHKQ-HNNXBMFYSA-N 2 0 306.450 2.963 20 0 DFADRP CCc1noc(C2CCC([NH2+]CC3([NH3+])CCCCC3)CC2)n1 ZINC000414842830 295825239 /nfs/dbraw/zinc/82/52/39/295825239.db2.gz MZYZOGHPMKGEED-UHFFFAOYSA-N 2 0 306.454 2.909 20 0 DFADRP COc1cc(C[NH2+][C@H](C)[C@@H]2CCC[NH2+]C2)cc(Cl)c1OC ZINC000414847019 295825401 /nfs/dbraw/zinc/82/54/01/295825401.db2.gz FQSCTEDCDLOLIB-DGCLKSJQSA-N 2 0 312.841 2.835 20 0 DFADRP COc1ccc(C[NH2+]CC[C@@H]2CCC[NH2+]C2)cc1OC(F)F ZINC000414844210 295825297 /nfs/dbraw/zinc/82/52/97/295825297.db2.gz DKKQEACAPCPIPY-LBPRGKRZSA-N 2 0 314.376 2.776 20 0 DFADRP Fc1cccc(N2CCCC2)c1C[NH2+]CC[C@H]1CCC[NH2+]C1 ZINC000414843777 295825313 /nfs/dbraw/zinc/82/53/13/295825313.db2.gz CUKYCDPAFOJDKY-OAHLLOKOSA-N 2 0 305.441 2.905 20 0 DFADRP Cc1ccccc1NC(=O)C[C@H](C)[NH2+][C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000414858639 295827005 /nfs/dbraw/zinc/82/70/05/295827005.db2.gz SEXRJYKQYJTUPG-ARFHVFGLSA-N 2 0 303.450 2.690 20 0 DFADRP C[N@@H+]1CCC[C@H](CC[NH2+][C@H]2CCCN(Cc3ccccc3)C2)C1 ZINC000459743864 299179797 /nfs/dbraw/zinc/17/97/97/299179797.db2.gz XCOXUYFBPAHDBV-UXHICEINSA-N 2 0 315.505 2.973 20 0 DFADRP C[NH+](C)[C@@H]1CCC[N@H+](CCC(=O)Nc2ccc(F)cc2)CC1 ZINC000277210149 213370051 /nfs/dbraw/zinc/37/00/51/213370051.db2.gz NDTYAPKKYLEKNK-MRXNPFEDSA-N 2 0 307.413 2.570 20 0 DFADRP Cc1nn(Cc2ccc(C)cc2)c(C)c1C[NH2+]C[C@H](C)C[NH3+] ZINC000414885419 295830276 /nfs/dbraw/zinc/83/02/76/295830276.db2.gz WXLYTKCDIIZUHG-CQSZACIVSA-N 2 0 300.450 2.541 20 0 DFADRP C[C@@H](Cn1cccn1)[NH2+]C[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000681089981 545594577 /nfs/dbraw/zinc/59/45/77/545594577.db2.gz JBEBIHZYTYJUKI-HKUYNNGSSA-N 2 0 312.461 2.773 20 0 DFADRP COc1ccc(OC(F)F)c(C[NH2+][C@H]2CCC[C@H]([NH3+])C2)c1 ZINC000414911256 295833822 /nfs/dbraw/zinc/83/38/22/295833822.db2.gz DQCBMFPKCPBJDG-RYUDHWBXSA-N 2 0 300.349 2.656 20 0 DFADRP CC[N@@H+]1CC[C@H](C[NH2+][C@H](C)CCc2ccc(OC)c(O)c2)C1 ZINC000277187215 213353133 /nfs/dbraw/zinc/35/31/33/213353133.db2.gz IJAZBIQXVYAYES-GDBMZVCRSA-N 2 0 306.450 2.653 20 0 DFADRP C[C@@H]1C[C@@H]([NH2+]Cc2c[nH]nc2-c2cccc(Cl)c2)CC[NH2+]1 ZINC000414942429 295838064 /nfs/dbraw/zinc/83/80/64/295838064.db2.gz DKHTUDKWMSOPJF-ABAIWWIYSA-N 2 0 304.825 2.960 20 0 DFADRP CCCCOc1ccc(C[NH2+]CC2(COC)CC[NH2+]CC2)cc1 ZINC000414941413 295838158 /nfs/dbraw/zinc/83/81/58/295838158.db2.gz ASUPBAKKGRLRIM-UHFFFAOYSA-N 2 0 320.477 2.971 20 0 DFADRP C[C@@H]1C[C@@H]([NH2+]Cc2cccc(OCc3ccccn3)c2)CC[NH2+]1 ZINC000414944840 295838413 /nfs/dbraw/zinc/83/84/13/295838413.db2.gz HJWXZAXGBPWKPZ-WBVHZDCISA-N 2 0 311.429 2.891 20 0 DFADRP OC[C@H]1CN(Cc2ccccc2)CC[C@@H]1[NH2+]C1CC(C(F)F)C1 ZINC000681091082 545595538 /nfs/dbraw/zinc/59/55/38/545595538.db2.gz XGNMXDZVYPLJIE-MYBQVCMBSA-N 2 0 324.415 2.503 20 0 DFADRP COc1ccc(NC(=O)C[C@H](C)[NH2+]CCC[C@@H]2CCC[NH2+]2)cc1 ZINC000414967098 295842087 /nfs/dbraw/zinc/84/20/87/295842087.db2.gz GVKWDVBMDJRDPM-LSDHHAIUSA-N 2 0 319.449 2.534 20 0 DFADRP COc1cccc(C[NH2+]CCC[C@@H]2CCC[NH2+]2)c1OC(F)F ZINC000414966485 295842180 /nfs/dbraw/zinc/84/21/80/295842180.db2.gz GKDQHMSDQHVWBW-CYBMUJFWSA-N 2 0 314.376 2.918 20 0 DFADRP COc1cccc(NC(=O)C[C@H](C)[NH2+]CCC[C@H]2CCC[NH2+]2)c1 ZINC000414980426 295843642 /nfs/dbraw/zinc/84/36/42/295843642.db2.gz WUTVVRYXBWCLSK-GJZGRUSLSA-N 2 0 319.449 2.534 20 0 DFADRP CCC(CC)(CC)C[NH2+]C[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000414987467 295844573 /nfs/dbraw/zinc/84/45/73/295844573.db2.gz OKLZYHBTKUQFRM-ZDUSSCGKSA-N 2 0 309.420 2.629 20 0 DFADRP C[C@H](CCCC[NH3+])[NH2+]Cc1cnn(Cc2ccc(F)cc2)c1 ZINC000415016891 295847569 /nfs/dbraw/zinc/84/75/69/295847569.db2.gz QMQYVHGPDRJEHI-CQSZACIVSA-N 2 0 304.413 2.678 20 0 DFADRP [NH3+]C[C@H]1CC[C@H](C[NH2+]Cc2cn3cc(Cl)ccc3n2)CC1 ZINC000415020078 295847892 /nfs/dbraw/zinc/84/78/92/295847892.db2.gz GDYFIBCDLHKJSE-JOCQHMNTSA-N 2 0 306.841 2.842 20 0 DFADRP Cc1nn(-c2ccc(F)cc2)cc1C[NH2+][C@@H](C)CCCC[NH3+] ZINC000415020811 295847936 /nfs/dbraw/zinc/84/79/36/295847936.db2.gz XQCISWSHMHHMTG-ZDUSSCGKSA-N 2 0 304.413 2.927 20 0 DFADRP COc1ccc(Br)c(C[NH2+][C@@H](C)CCC[NH3+])c1 ZINC000415025073 295848414 /nfs/dbraw/zinc/84/84/14/295848414.db2.gz QDJGKFBGFOPTHM-JTQLQIEISA-N 2 0 301.228 2.675 20 0 DFADRP C[C@H](CC(=O)N1CCCCCC1)[NH2+]C[C@H]1CC[C@H](C[NH3+])CC1 ZINC000415028180 295848558 /nfs/dbraw/zinc/84/85/58/295848558.db2.gz YDRBCYJPGFBHDK-BRWVUGGUSA-N 2 0 309.498 2.522 20 0 DFADRP [NH3+]C[C@@H]1CC[C@H]([NH2+]Cc2ccc(OCC(F)(F)F)cc2)C1 ZINC000415037447 295849692 /nfs/dbraw/zinc/84/96/92/295849692.db2.gz MKIYHPNLAFLXRK-OLZOCXBDSA-N 2 0 302.340 2.845 20 0 DFADRP CC[C@H](Cc1ccc(OC)c(OC)c1)[NH2+][C@H]1CC[C@H](C[NH3+])C1 ZINC000415031193 295849171 /nfs/dbraw/zinc/84/91/71/295849171.db2.gz GRJODLCRXROKAJ-XHSDSOJGSA-N 2 0 306.450 2.742 20 0 DFADRP Cc1nn(Cc2ccccc2)c(C)c1C[NH2+][C@H]1CC[C@H](C[NH3+])C1 ZINC000415032249 295849222 /nfs/dbraw/zinc/84/92/22/295849222.db2.gz HVTNWBSXTOGADM-ROUUACIJSA-N 2 0 312.461 2.765 20 0 DFADRP CC[C@H](CCc1ccc(Br)cc1)[NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000415042324 295850545 /nfs/dbraw/zinc/85/05/45/295850545.db2.gz SGUSGERQVZIAPL-WCVJEAGWSA-N 2 0 323.278 2.968 20 0 DFADRP COc1cccc(C[NH2+][C@@H]2CC[C@H](C[NH3+])C2)c1OC(F)F ZINC000415037920 295849879 /nfs/dbraw/zinc/84/98/79/295849879.db2.gz MVZVOMYKEUHYAG-CMPLNLGQSA-N 2 0 300.349 2.514 20 0 DFADRP [NH3+]C[C@H]1CC[C@@H]([NH2+]Cc2c(F)ccc(Br)c2F)C1 ZINC000415038884 295850002 /nfs/dbraw/zinc/85/00/02/295850002.db2.gz NUDXPQLTXHBWRE-DTWKUNHWSA-N 2 0 319.193 2.944 20 0 DFADRP CCOc1c(Cl)cc(C[NH2+][C@H]2CC[C@H](C[NH3+])C2)cc1OC ZINC000415047348 295851143 /nfs/dbraw/zinc/85/11/43/295851143.db2.gz VXJNTWADBSFFJN-AAEUAGOBSA-N 2 0 312.841 2.964 20 0 DFADRP CO[C@H]1C[C@H]([NH2+]C2CCN(c3cc[nH+]cc3)CC2)C12CCC2 ZINC000459794941 299195029 /nfs/dbraw/zinc/19/50/29/299195029.db2.gz VBTOSAVNYWQTJG-IRXDYDNUSA-N 2 0 301.434 2.598 20 0 DFADRP CC[NH+](CC)C[C@@H]1CCN(Cc2ccc3c(c2)OCCO3)C1 ZINC000173782610 198251362 /nfs/dbraw/zinc/25/13/62/198251362.db2.gz SFLXEPCHPOXQDI-INIZCTEOSA-N 2 0 304.434 2.622 20 0 DFADRP C[C@H](C[C@@H]1CCC[NH2+]1)[NH2+][C@@H]1CCO[C@@H]1c1ccc(F)c(F)c1 ZINC000415082297 295855929 /nfs/dbraw/zinc/85/59/29/295855929.db2.gz DDGHTDKSAHPKMN-VGOVLVCLSA-N 2 0 310.388 2.915 20 0 DFADRP CC(C)[C@H]([NH2+]CC1CC[NH2+]CC1)c1ccc2c(c1)OCCO2 ZINC000415089672 295856393 /nfs/dbraw/zinc/85/63/93/295856393.db2.gz ZEKWOMWGYJXUJG-SFHVURJKSA-N 2 0 304.434 2.744 20 0 DFADRP C[N@@H+]1CCCN(CCC[NH2+]Cc2cccc3ccccc32)CC1 ZINC000105476846 398693313 /nfs/dbraw/zinc/69/33/13/398693313.db2.gz XXXXRMFMFCIQBV-UHFFFAOYSA-N 2 0 311.473 2.957 20 0 DFADRP COc1cc(C[NH+]2CCC([C@H]3OCCC[C@H]3[NH3+])CC2)ccc1C ZINC000415115202 295859981 /nfs/dbraw/zinc/85/99/81/295859981.db2.gz WTPYVEKNQVEKFK-IEBWSBKVSA-N 2 0 318.461 2.722 20 0 DFADRP COc1ccc2c(c1)OC[C@H]([NH2+][C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1)C2 ZINC000415117606 295860265 /nfs/dbraw/zinc/86/02/65/295860265.db2.gz VTDUQVYXABDFMG-BZZMCLGOSA-N 2 0 316.445 2.509 20 0 DFADRP C[C@H](Cc1ccccc1Br)[NH2+]CC1CC[NH2+]CC1 ZINC000415123235 295861042 /nfs/dbraw/zinc/86/10/42/295861042.db2.gz PIMIBQDRRHDTAS-GFCCVEGCSA-N 2 0 311.267 2.969 20 0 DFADRP [NH3+]CC1(O)CC[NH+](CCCc2c(Cl)cccc2Cl)CC1 ZINC000415144358 295864626 /nfs/dbraw/zinc/86/46/26/295864626.db2.gz UOUZDZJINMCJBS-UHFFFAOYSA-N 2 0 317.260 2.712 20 0 DFADRP CC[N@@H+]1CC[C@H]([NH+](C)CCOc2ccc(OC)cc2)[C@H](C)C1 ZINC000174772373 198382399 /nfs/dbraw/zinc/38/23/99/198382399.db2.gz DJOXYJKVXMNMMN-QAPCUYQASA-N 2 0 306.450 2.736 20 0 DFADRP CC[N@@H+]1CC[C@@H](N(C)Cc2cc(F)cc3c2OCOC3)[C@H](C)C1 ZINC000174778037 198383177 /nfs/dbraw/zinc/38/31/77/198383177.db2.gz UVRSLJLDTBBXJL-CXAGYDPISA-N 2 0 322.424 2.854 20 0 DFADRP C[C@H]([NH3+])[C@H](C)C(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC000277082484 213281708 /nfs/dbraw/zinc/28/17/08/213281708.db2.gz QOFXHXSQMNSUNR-GJZGRUSLSA-N 2 0 303.450 2.637 20 0 DFADRP CCC(CC)(C[NH3+])NC(=O)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000236777741 202004456 /nfs/dbraw/zinc/00/44/56/202004456.db2.gz JEDUOKSEEKDBTK-KRWDZBQOSA-N 2 0 317.477 2.532 20 0 DFADRP C[C@H](CCNC(=O)Nc1ccc(C[NH3+])cc1)[NH+]1CCCCC1 ZINC000415962909 295906768 /nfs/dbraw/zinc/90/67/68/295906768.db2.gz UKXBYVNRIHPELF-CQSZACIVSA-N 2 0 304.438 2.531 20 0 DFADRP CC[NH+](CC)[C@H](C(=O)NC[C@H](C)[NH+]1CCCC1)c1ccccc1 ZINC000591430233 398759598 /nfs/dbraw/zinc/75/95/98/398759598.db2.gz CRLOKABDOIGMKE-WMZOPIPTSA-N 2 0 317.477 2.670 20 0 DFADRP C[N@@H+]1CC[C@H]([NH2+][C@@H]2CCO[C@]3(CCSC3)C2)[C@@H]2CCC[C@H]21 ZINC000353628829 283141690 /nfs/dbraw/zinc/14/16/90/283141690.db2.gz CBGYTFFZRSELGP-DRRXZNNHSA-N 2 0 310.507 2.504 20 0 DFADRP C[C@H]([NH2+][C@@H](C)C1CC[NH+](C)CC1)[C@@H](c1ccccc1)N(C)C ZINC000681138224 545602569 /nfs/dbraw/zinc/60/25/69/545602569.db2.gz FXLVBNUQEWGFRT-BXWFABGCSA-N 2 0 303.494 2.998 20 0 DFADRP CC[NH+](CC)CC1CC[NH+](CC(=O)NC2CCC(C)CC2)CC1 ZINC000047977874 398767004 /nfs/dbraw/zinc/76/70/04/398767004.db2.gz RUXIJHOTSRSIBL-UHFFFAOYSA-N 2 0 323.525 2.735 20 0 DFADRP COC(=O)CCC[C@@H]1CCC[C@H]([NH2+][C@H]2CC23CC[NH2+]CC3)C1 ZINC000591581277 398773805 /nfs/dbraw/zinc/77/38/05/398773805.db2.gz PJHFGNIRECWSRO-JYJNAYRXSA-N 2 0 308.466 2.620 20 0 DFADRP C[NH+](C)[C@H](CC(=O)NCCC1CC[NH+](C)CC1)c1ccccc1 ZINC000416147146 295924586 /nfs/dbraw/zinc/92/45/86/295924586.db2.gz QZIOHONNLJSVOX-GOSISDBHSA-N 2 0 317.477 2.528 20 0 DFADRP CC(C)c1cccc(NC(=O)N(CC[NH+](C)C)CC[NH+](C)C)c1 ZINC000119776345 398777644 /nfs/dbraw/zinc/77/76/44/398777644.db2.gz GROBHAIOFRCWGQ-UHFFFAOYSA-N 2 0 320.481 2.767 20 0 DFADRP CC1CC[NH+](CCCCNC(=O)[C@@H]2C[C@H]3CCCC[C@@H]3[NH2+]2)CC1 ZINC000236841252 202034383 /nfs/dbraw/zinc/03/43/83/202034383.db2.gz CDAGZPQVRDFXTI-SQNIBIBYSA-N 2 0 321.509 2.535 20 0 DFADRP CCC[C@H]([NH3+])C(=O)NC[C@@H](c1cccs1)[NH+]1CCC(C)CC1 ZINC000236874716 202046105 /nfs/dbraw/zinc/04/61/05/202046105.db2.gz ISRLTRDSLSNRKQ-GJZGRUSLSA-N 2 0 323.506 2.765 20 0 DFADRP CCC(CC)(CNC(=O)[C@@H]1CC[NH2+]C1)[NH2+][C@H](C)c1ccccc1 ZINC000236859464 202040193 /nfs/dbraw/zinc/04/01/93/202040193.db2.gz RICXLRHMOONGHA-NVXWUHKLSA-N 2 0 317.477 2.622 20 0 DFADRP CCC[C@H]1[C@@H](C)CCC[N@@H+]1CC(=O)NC1CC[NH+](C(C)C)CC1 ZINC000464729279 299246592 /nfs/dbraw/zinc/24/65/92/299246592.db2.gz DIJMYPDNDKXXPU-WMZOPIPTSA-N 2 0 323.525 2.876 20 0 DFADRP CCC[N@H+](CC)Cc1ccc(C(=O)N2C[C@@H](C[NH3+])C[C@H]2C)cc1 ZINC000261865287 283187966 /nfs/dbraw/zinc/18/79/66/283187966.db2.gz RPTQMWFUZBWSDX-NVXWUHKLSA-N 2 0 317.477 2.728 20 0 DFADRP CCC[N@H+](CC)Cc1ccc(C(=O)N2C[C@H](C)[NH2+]C[C@H]2C)cc1 ZINC000272560690 283188331 /nfs/dbraw/zinc/18/83/31/283188331.db2.gz NRAGFUQEPSASNH-JKSUJKDBSA-N 2 0 317.477 2.741 20 0 DFADRP CC[NH+](CC)Cc1ccccc1CNC(=O)[C@@H]1CCC[C@H]([NH3+])C1 ZINC000236907895 202064941 /nfs/dbraw/zinc/06/49/41/202064941.db2.gz QODHDEGBKRAUPX-QAPCUYQASA-N 2 0 317.477 2.662 20 0 DFADRP CCC[NH+](CCC)CCCC(=O)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000361581700 535324800 /nfs/dbraw/zinc/32/48/00/535324800.db2.gz KBEUQWQTRNXSKH-IRXDYDNUSA-N 2 0 309.498 2.632 20 0 DFADRP COc1ccc(C[C@H](C)[NH2+]C[C@H]2CCC[N@H+](C)C2)cc1OC ZINC000121217493 398786428 /nfs/dbraw/zinc/78/64/28/398786428.db2.gz GTADJVKUVYJHGS-GOEBONIOSA-N 2 0 306.450 2.566 20 0 DFADRP C[C@H]1CCC[N@H+](Cc2ccc(NC(=O)[C@]3(C)CCC[NH2+]3)cc2)C1 ZINC000121206955 398786446 /nfs/dbraw/zinc/78/64/46/398786446.db2.gz YXGWRJBXBZTCJL-KXBFYZLASA-N 2 0 315.461 2.999 20 0 DFADRP CC[NH2+]CC1CCN(C(=O)[C@@H](c2ccccc2)[N@H+](C)CC)CC1 ZINC000237027444 202126794 /nfs/dbraw/zinc/12/67/94/202126794.db2.gz JXWVRMNRFBEUBG-GOSISDBHSA-N 2 0 317.477 2.528 20 0 DFADRP CC[NH+](CC)[C@@H](C(=O)N(C)CC[C@@H]([NH3+])C(C)C)c1ccccc1 ZINC000237039537 202133152 /nfs/dbraw/zinc/13/31/52/202133152.db2.gz XWRIOFAQOIDTCO-QZTJIDSGSA-N 2 0 319.493 2.901 20 0 DFADRP CC[NH2+]Cc1ccccc1NC(=O)C[C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000237053135 202135968 /nfs/dbraw/zinc/13/59/68/202135968.db2.gz IYYNDKOJLARWGV-HUUCEWRRSA-N 2 0 303.450 2.760 20 0 DFADRP C[N@@H+]1CCN(CCC[NH2+]Cc2ccco2)[C@@H](c2ccccc2)C1 ZINC000237205987 202188549 /nfs/dbraw/zinc/18/85/49/202188549.db2.gz RBJFRSNWLHYZNV-LJQANCHMSA-N 2 0 313.445 2.748 20 0 DFADRP CC[NH+]1CCN([C@@H]2CC[N@H+](Cc3ccc(Cl)cc3C)C2)CC1 ZINC000136188920 283236285 /nfs/dbraw/zinc/23/62/85/283236285.db2.gz TVCFURITLWIRTJ-GOSISDBHSA-N 2 0 321.896 2.860 20 0 DFADRP CCC[C@H](C(=O)NCCCC[NH+]1C[C@@H](C)C[C@H](C)C1)[NH+](C)C ZINC000136206492 283237092 /nfs/dbraw/zinc/23/70/92/283237092.db2.gz RVPPUXIXCQCLBP-YESZJQIVSA-N 2 0 311.514 2.591 20 0 DFADRP COc1ccc(Br)cc1CN1CC[C@@H]([NH3+])C[C@@H]1C ZINC000124549912 398803599 /nfs/dbraw/zinc/80/35/99/398803599.db2.gz JUDJKFWLIYBPEP-GXFFZTMASA-N 2 0 313.239 2.769 20 0 DFADRP C[C@@H]1C[C@H]([NH3+])CCN1Cc1ccc(F)cc1Br ZINC000124571700 398803460 /nfs/dbraw/zinc/80/34/60/398803460.db2.gz QJGKSELOZAMDSF-BXKDBHETSA-N 2 0 301.203 2.900 20 0 DFADRP CC(C)[NH+]1CCC(O)(C[NH2+][C@H]2CCC[C@@H](C(F)(F)F)C2)CC1 ZINC000438195178 297084350 /nfs/dbraw/zinc/08/43/50/297084350.db2.gz ZXPSRODMWAMLID-KGLIPLIRSA-N 2 0 322.415 2.932 20 0 DFADRP Cc1ccc(C[C@H]([NH2+]CC2CC[NH+](CCO)CC2)C(C)C)cc1 ZINC000151876100 283299923 /nfs/dbraw/zinc/29/99/23/283299923.db2.gz LELYHVYTJJVIDU-FQEVSTJZSA-N 2 0 318.505 2.856 20 0 DFADRP C[NH+](C)[C@H]1C[C@@H](C[NH2+]C2CCC(C(=O)OC(C)(C)C)CC2)C1 ZINC000594512603 398813510 /nfs/dbraw/zinc/81/35/10/398813510.db2.gz XCAQIAQICGYIFI-XNBUQLGVSA-N 2 0 310.482 2.817 20 0 DFADRP COc1ccc(CN2CC[C@@H](C[NH+](C)C)C2)c(OC(F)F)c1 ZINC000179632235 199067552 /nfs/dbraw/zinc/06/75/52/199067552.db2.gz QAONTBOHSKILOS-LBPRGKRZSA-N 2 0 314.376 2.680 20 0 DFADRP CC[NH+]1CCN(c2ccccc2N[C@@H]2CC[N@H+](C)[C@H](C)C2)CC1 ZINC000179776697 199079375 /nfs/dbraw/zinc/07/93/75/199079375.db2.gz MQAYSUHLVBBMDU-IAGOWNOFSA-N 2 0 316.493 2.723 20 0 DFADRP CC(C)OC(=O)C[C@H]([NH2+]C1CC[NH+](CC2CC2)CC1)C(C)C ZINC000594624428 398834509 /nfs/dbraw/zinc/83/45/09/398834509.db2.gz PHIAIUZYNSDXDB-KRWDZBQOSA-N 2 0 310.482 2.817 20 0 DFADRP CN(C)C(=O)c1cccc(C[NH+]2CCC(CC[NH+](C)C)CC2)c1 ZINC000052442332 398840477 /nfs/dbraw/zinc/84/04/77/398840477.db2.gz GARAGSVOJMYOAJ-UHFFFAOYSA-N 2 0 317.477 2.552 20 0 DFADRP CC(C)C[C@H](C[NH+](C)C)NC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000467613377 299273682 /nfs/dbraw/zinc/27/36/82/299273682.db2.gz LTINSLFITNSWFO-IAGOWNOFSA-N 2 0 323.525 2.734 20 0 DFADRP COc1ccc(COCC[N@@H+]2CCC[C@@H](n3ccnc3)C2)cc1 ZINC000594732909 398851333 /nfs/dbraw/zinc/85/13/33/398851333.db2.gz QELUGLHROBIWPY-QGZVFWFLSA-N 2 0 315.417 2.745 20 0 DFADRP COC(=O)c1cccc(C[N@@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)c1 ZINC000594735630 398852094 /nfs/dbraw/zinc/85/20/94/398852094.db2.gz LTRUROWBDKNHJY-GOSISDBHSA-N 2 0 316.445 2.685 20 0 DFADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]CCc2ccccc2)[C@H](C)C1 ZINC000153035057 283349994 /nfs/dbraw/zinc/34/99/94/283349994.db2.gz XJWLJQIFVFTGKV-MJGOQNOKSA-N 2 0 304.478 2.956 20 0 DFADRP COc1ccc(C[NH2+]CCCC[NH+]2C[C@H](C)O[C@@H](C)C2)cc1F ZINC000237346561 202239784 /nfs/dbraw/zinc/23/97/84/202239784.db2.gz MSSYNKJPAAVQTB-GJZGRUSLSA-N 2 0 324.440 2.813 20 0 DFADRP CC[N@H+](CCC[NH2+][C@H](C)[C@H]1C[C@H]1C(=O)OC)C1CCCCC1 ZINC000594944683 398878045 /nfs/dbraw/zinc/87/80/45/398878045.db2.gz BCLCFDXBWCIUOW-DJIMGWMZSA-N 2 0 310.482 2.818 20 0 DFADRP OC[C@H]1CC[C@H]([NH2+][C@@H]2CCCN(Cc3ccccc3)C2)CC1 ZINC000468511676 299279511 /nfs/dbraw/zinc/27/95/11/299279511.db2.gz UHMXYZYFJZQHMK-GUDVDZBRSA-N 2 0 302.462 2.792 20 0 DFADRP C[C@H]([NH2+]CC1(N2CCCCC2)CC[NH+](C)CC1)c1cncs1 ZINC000124668404 299282930 /nfs/dbraw/zinc/28/29/30/299282930.db2.gz VALFMPWDVQNPPH-HNNXBMFYSA-N 2 0 322.522 2.744 20 0 DFADRP C[C@H]([NH2+]CCCC[NH+]1C[C@H](C)O[C@@H](C)C1)c1cncc(F)c1 ZINC000178039383 299290879 /nfs/dbraw/zinc/29/08/79/299290879.db2.gz UOVULTHNAVFXGU-KKUMJFAQSA-N 2 0 309.429 2.761 20 0 DFADRP CCOC(=O)c1[nH]c(C)c(C[NH2+]CC2(C)CC[NH+](C)CC2)c1C ZINC000598972437 398900620 /nfs/dbraw/zinc/90/06/20/398900620.db2.gz RKUWMFQRBPOBRH-UHFFFAOYSA-N 2 0 321.465 2.630 20 0 DFADRP C[NH+]1CCC(O)(C[NH2+]Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000077450584 398904385 /nfs/dbraw/zinc/90/43/85/398904385.db2.gz NINFTSRSZLEUEW-UHFFFAOYSA-N 2 0 303.233 2.540 20 0 DFADRP C[NH+]1CCC(O)(C[NH2+]Cc2cc(Cl)cc(Cl)c2)CC1 ZINC000077450466 398904728 /nfs/dbraw/zinc/90/47/28/398904728.db2.gz DYOBNYGYZHYWCP-UHFFFAOYSA-N 2 0 303.233 2.540 20 0 DFADRP [NH3+]Cc1ccc(NC(=O)C2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000144368690 398905580 /nfs/dbraw/zinc/90/55/80/398905580.db2.gz FOWWMYCZUVXHGL-UHFFFAOYSA-N 2 0 323.440 2.996 20 0 DFADRP CC[NH+](CC)CCCC1CC[NH+](C[C@@H](O)CSC)CC1 ZINC000188255447 283472215 /nfs/dbraw/zinc/47/22/15/283472215.db2.gz FWKRREXZIYRHQT-MRXNPFEDSA-N 2 0 302.528 2.544 20 0 DFADRP [NH3+]Cc1cc(C(=O)Nc2ccc(CC[NH+]3CCCC3)cc2)co1 ZINC000188118750 200196456 /nfs/dbraw/zinc/19/64/56/200196456.db2.gz UZODNMATGKBPQX-UHFFFAOYSA-N 2 0 313.401 2.629 20 0 DFADRP C[C@H]([NH2+]CC1CC[NH+](C[C@@H](O)c2ccccc2)CC1)C1CC1 ZINC000237544456 202278350 /nfs/dbraw/zinc/27/83/50/202278350.db2.gz UNMFSEYXPUIFER-HNAYVOBHSA-N 2 0 302.462 2.820 20 0 DFADRP CCOC(=O)[C@@H]1CC[C@H]([NH2+]C[C@H]2CCCC[N@H+](C)C2)C[C@@H]1C ZINC000599071635 398917293 /nfs/dbraw/zinc/91/72/93/398917293.db2.gz RQJDPVFZPKGJFM-VVLHAWIVSA-N 2 0 310.482 2.676 20 0 DFADRP C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)c2ccc(C[NH3+])cc2)C1 ZINC000237549236 202279180 /nfs/dbraw/zinc/27/91/80/202279180.db2.gz MYJXCTPWUYRVTJ-HZPDHXFCSA-N 2 0 317.477 2.633 20 0 DFADRP C[C@@H](CC(=O)Nc1cccc(C[NH+](C)C)c1)C1CC[NH2+]CC1 ZINC000237606609 202300468 /nfs/dbraw/zinc/30/04/68/202300468.db2.gz RRWOGHXQHIDUCU-AWEZNQCLSA-N 2 0 303.450 2.713 20 0 DFADRP C[C@H]1C[C@H](NC(=O)[C@@H]([NH3+])C(C)(C)C)CC[N@@H+]1Cc1ccccc1 ZINC000237638092 202313724 /nfs/dbraw/zinc/31/37/24/202313724.db2.gz SYCSQSIQBXWUIU-USXIJHARSA-N 2 0 317.477 2.529 20 0 DFADRP C[C@@H](C(=O)NCCC[NH+]1CCCCCC1)[C@H]([NH3+])c1ccccc1 ZINC000237705993 202334001 /nfs/dbraw/zinc/33/40/01/202334001.db2.gz ZKEMTOPJHTYLHY-AEFFLSMTSA-N 2 0 317.477 2.705 20 0 DFADRP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)C2([NH3+])CCCCC2)C1 ZINC000237682493 202327659 /nfs/dbraw/zinc/32/76/59/202327659.db2.gz ZAINGNUPLNSQCR-SJORKVTESA-N 2 0 321.509 2.761 20 0 DFADRP C[C@H](CNC(=O)[C@@H]1CCCCCC[C@@H]1[NH3+])C[NH+]1CCCCC1 ZINC000237433233 283510270 /nfs/dbraw/zinc/51/02/70/283510270.db2.gz LCSHLWQYLFNHBB-ZACQAIPSSA-N 2 0 309.498 2.522 20 0 DFADRP C[NH+]1CCN(c2ccc(C[NH2+][C@H]3CCC34CCCC4)cn2)CC1 ZINC000189055925 200342001 /nfs/dbraw/zinc/34/20/01/200342001.db2.gz ONFPPRJURFTZES-KRWDZBQOSA-N 2 0 314.477 2.646 20 0 DFADRP C[C@@H]([NH2+]CC1CC[NH+](CCO)CC1)[C@@H]1C[C@H]1c1cccs1 ZINC000417317799 296009616 /nfs/dbraw/zinc/00/96/16/296009616.db2.gz XIRRBYDCGUIENV-VNQPRFMTSA-N 2 0 308.491 2.534 20 0 DFADRP C[C@H]([NH2+]C[C@@H](O)C[NH+]1CCC(C)CC1)[C@@H]1C[C@H]1c1cccs1 ZINC000417317962 296009632 /nfs/dbraw/zinc/00/96/32/296009632.db2.gz XTASAHFVZWUFPP-VVLHAWIVSA-N 2 0 322.518 2.923 20 0 DFADRP CC[NH+](CC)Cc1ccc(C(=O)NC2(C[NH+](C)C)CCC2)cc1 ZINC000281177311 216132607 /nfs/dbraw/zinc/13/26/07/216132607.db2.gz YLQJJDUHTYBGBE-UHFFFAOYSA-N 2 0 317.477 2.743 20 0 DFADRP Cc1cnc(C[N@@H+]2CCCC[C@H]2[C@@H](C[NH3+])Cc2ccccc2)cn1 ZINC000471831592 299309503 /nfs/dbraw/zinc/30/95/03/299309503.db2.gz FNJDUGDJKVJWKM-QUCCMNQESA-N 2 0 324.472 2.957 20 0 DFADRP C[C@@H]([NH2+]CCC1CC[NH+](C)CC1)c1cccc(-n2ccnn2)c1 ZINC000287886520 219787910 /nfs/dbraw/zinc/78/79/10/219787910.db2.gz YSGCGPDGJFTEHU-OAHLLOKOSA-N 2 0 313.449 2.650 20 0 DFADRP COc1cc2c(cc1F)CC[C@@H]2[NH2+]C[C@H]1CC[N@@H+](C2CC2)C1 ZINC000281239581 216177416 /nfs/dbraw/zinc/17/74/16/216177416.db2.gz NDIJJWLCFQTZOB-PXAZEXFGSA-N 2 0 304.409 2.896 20 0 DFADRP C[C@@]1(O)C[C@H]([NH2+][C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)C1 ZINC000417392170 296016360 /nfs/dbraw/zinc/01/63/60/296016360.db2.gz AZADCZJJKDAKDO-WKWVNEEDSA-N 2 0 314.473 2.790 20 0 DFADRP COC(=O)CCCC[N@@H+]1CCC[C@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000599296328 398949825 /nfs/dbraw/zinc/94/98/25/398949825.db2.gz UYUYCRZKUMRSCP-IRXDYDNUSA-N 2 0 310.482 2.916 20 0 DFADRP C[C@@H]([NH2+]CCCCCCO)c1cccc(OCC[NH+](C)C)c1 ZINC000271893653 209302594 /nfs/dbraw/zinc/30/25/94/209302594.db2.gz SRIDFRPIOAGAJO-MRXNPFEDSA-N 2 0 308.466 2.830 20 0 DFADRP Cc1nn(-c2ccccc2)cc1CN1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000292720406 223216046 /nfs/dbraw/zinc/21/60/46/223216046.db2.gz FHBNQKGAFLSMIT-IBGZPJMESA-N 2 0 310.445 2.708 20 0 DFADRP CCc1cccc(NC(=O)C[NH+]2CCC(CC[NH+](C)C)CC2)c1 ZINC000056525103 398977979 /nfs/dbraw/zinc/97/79/79/398977979.db2.gz ZFRSOWZRBBXZLB-UHFFFAOYSA-N 2 0 317.477 2.851 20 0 DFADRP CCOC(=O)CC[C@@H]1CCC[N@H+](CCC[NH+]2CCCCC2)C1 ZINC000162019181 398980041 /nfs/dbraw/zinc/98/00/41/398980041.db2.gz CFMYSNUCKJUODG-KRWDZBQOSA-N 2 0 310.482 2.918 20 0 DFADRP [NH3+][C@H](CCC(=O)N[C@H]1CC[N@@H+](C2CCCC2)C1)c1ccccc1 ZINC000167717309 398995096 /nfs/dbraw/zinc/99/50/96/398995096.db2.gz YCLMDTLMUPNBRM-FUHWJXTLSA-N 2 0 315.461 2.600 20 0 DFADRP COc1ccc([C@@H](C)C[NH2+]CC2(O)CC[NH+](C(C)C)CC2)cc1 ZINC000271851464 209268710 /nfs/dbraw/zinc/26/87/10/209268710.db2.gz TXOIKEBGMYTJNN-INIZCTEOSA-N 2 0 320.477 2.624 20 0 DFADRP COC(=O)C(C)(C)CC[NH2+]CC(C)(C)[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000474620038 299337845 /nfs/dbraw/zinc/33/78/45/299337845.db2.gz ZIZWRANIEZIFFN-HUUCEWRRSA-N 2 0 312.498 2.922 20 0 DFADRP C[NH2+][C@@H](CC(C)(C)C)C(=O)Nc1nc(C2CC[NH2+]CC2)cs1 ZINC000417850855 296058022 /nfs/dbraw/zinc/05/80/22/296058022.db2.gz XWDDOHMVPHNHGD-LBPRGKRZSA-N 2 0 324.494 2.573 20 0 DFADRP CCn1cncc1C[NH2+][C@H](C)[C@H](c1ccccc1C)N(C)C ZINC000418006115 296070784 /nfs/dbraw/zinc/07/07/84/296070784.db2.gz BPXQDKCDPBRJFP-CRAIPNDOSA-N 2 0 300.450 2.992 20 0 DFADRP C[C@H](CCNC(=O)NCC1([NH3+])CCCCCC1)[NH+]1CCCCC1 ZINC000418020279 296072158 /nfs/dbraw/zinc/07/21/58/296072158.db2.gz MZYOXZMFSFLCFI-MRXNPFEDSA-N 2 0 324.513 2.602 20 0 DFADRP C[C@@H]1C[N@H+](CC[C@@H]2CCC[NH+]2C)CC[C@@H]1C(=O)OC(C)(C)C ZINC000599587178 399022636 /nfs/dbraw/zinc/02/26/36/399022636.db2.gz DMLGAPWUPMMBKG-PMPSAXMXSA-N 2 0 310.482 2.770 20 0 DFADRP C[NH+]1CCC(Oc2ccc(C[NH2+][C@@H]3COC(C)(C)C3)cc2)CC1 ZINC000418041665 296073950 /nfs/dbraw/zinc/07/39/50/296073950.db2.gz KXMLMSFEAOSEJA-INIZCTEOSA-N 2 0 318.461 2.817 20 0 DFADRP CC(C)[C@@H]([NH2+]C1CCN(CC[NH+](C)C)CC1)c1ccccc1 ZINC000091283695 193029422 /nfs/dbraw/zinc/02/94/22/193029422.db2.gz YHHNGSORLUBCMK-LJQANCHMSA-N 2 0 303.494 2.999 20 0 DFADRP CC(C)[C@@H]([NH2+]CCN1CCC([NH+](C)C)CC1)c1ccccc1 ZINC000091367530 193047267 /nfs/dbraw/zinc/04/72/67/193047267.db2.gz VBKJSFSQLMRREA-LJQANCHMSA-N 2 0 303.494 2.999 20 0 DFADRP OC[C@@H](CC1CCCCC1)[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000418125924 296079521 /nfs/dbraw/zinc/07/95/21/296079521.db2.gz KHJDCLRYUXQZSC-GOSISDBHSA-N 2 0 317.477 2.971 20 0 DFADRP CC[C@H](C)[NH2+][C@H](CNC(=O)NC(C)(C)CCC[NH3+])c1ccco1 ZINC000418160644 296080860 /nfs/dbraw/zinc/08/08/60/296080860.db2.gz DKVFYMGJPGUOIR-UONOGXRCSA-N 2 0 324.469 2.526 20 0 DFADRP C[C@@H]([NH2+]CC1(N2CCCCC2)CC[NH+](C)CC1)c1nccs1 ZINC000091729766 193097711 /nfs/dbraw/zinc/09/77/11/193097711.db2.gz VPTVRPKOTLOZLU-OAHLLOKOSA-N 2 0 322.522 2.744 20 0 DFADRP CC(C)[N@H+](C)CC(=O)Nc1cccc(CC[NH+]2CCCC2)c1 ZINC000091824122 193113141 /nfs/dbraw/zinc/11/31/41/193113141.db2.gz WIVGJFFJJLREJV-UHFFFAOYSA-N 2 0 303.450 2.604 20 0 DFADRP CC(C)c1ccc([C@@H]([NH3+])CNC(=O)N[C@H](C)CCCC[NH3+])cc1 ZINC000418352568 296087640 /nfs/dbraw/zinc/08/76/40/296087640.db2.gz MTCBLMBCRUICBX-PBHICJAKSA-N 2 0 320.481 2.627 20 0 DFADRP CCOc1cncc(CN2CC[C@@H](C[NH+]3CCCCC3)C2)c1 ZINC000621717823 399043971 /nfs/dbraw/zinc/04/39/71/399043971.db2.gz OXHJVBONHAAIBR-INIZCTEOSA-N 2 0 303.450 2.788 20 0 DFADRP COC(=O)[C@@H]1CN(CCC[NH+]2CCCCC2)Cc2ccccc21 ZINC000599665864 399052150 /nfs/dbraw/zinc/05/21/50/399052150.db2.gz JJALQJQREVJTAM-GOSISDBHSA-N 2 0 316.445 2.635 20 0 DFADRP C[N@H+]1CC=C(C[NH2+]Cc2cc(Cl)c3c(c2)OCCCO3)CC1 ZINC000271795731 209223794 /nfs/dbraw/zinc/22/37/94/209223794.db2.gz HYEZTPKARXXANI-UHFFFAOYSA-N 2 0 322.836 2.853 20 0 DFADRP CCC[N@@H+]1CC[C@@H](C[NH2+][C@H]2CCN(C(C)=O)c3ccccc32)C1 ZINC000621750264 399065195 /nfs/dbraw/zinc/06/51/95/399065195.db2.gz MBTMEVRKWSOGOU-WMZOPIPTSA-N 2 0 315.461 2.806 20 0 DFADRP CC[NH+]1CCC(C[NH2+][C@H]2CCN(C(C)=O)c3ccccc32)CC1 ZINC000621751772 399066468 /nfs/dbraw/zinc/06/64/68/399066468.db2.gz NRJXVEZJRTVVHU-SFHVURJKSA-N 2 0 315.461 2.806 20 0 DFADRP Cc1ccccc1NC(=O)CC[NH+]1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000293106923 223399353 /nfs/dbraw/zinc/39/93/53/223399353.db2.gz YDOHYEVQKYGSHM-IBGZPJMESA-N 2 0 315.461 2.741 20 0 DFADRP CCOc1cc(C[NH2+]C[C@@H]2CC[N@@H+](C(C)C)C2)ccc1OC ZINC000058061098 399074552 /nfs/dbraw/zinc/07/45/52/399074552.db2.gz QVTJHZYGUVJIEW-INIZCTEOSA-N 2 0 306.450 2.914 20 0 DFADRP CC(C)CCn1cccc1C[NH2+]CC(C)(C)N1CC[NH+](C)CC1 ZINC000606469214 399078236 /nfs/dbraw/zinc/07/82/36/399078236.db2.gz QFHWLJIATCWGEQ-UHFFFAOYSA-N 2 0 320.525 2.650 20 0 DFADRP C[C@H]([NH2+][C@H]1CC[C@@H](CO)C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000295083761 284019387 /nfs/dbraw/zinc/01/93/87/284019387.db2.gz QRGHAAJNVVGIAL-AITUJVMLSA-N 2 0 302.462 2.648 20 0 DFADRP C[C@@H]([NH2+][C@H]1CCCC[C@@H]1O)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000275140536 212145724 /nfs/dbraw/zinc/14/57/24/212145724.db2.gz RLMUSIKGXREWJD-YSHGAJCASA-N 2 0 302.462 2.790 20 0 DFADRP C[N@H+](CCCN1CC[NH+](C)CC1)CC12CC3CC(CC(C3)C1)C2 ZINC000337289494 284069278 /nfs/dbraw/zinc/06/92/78/284069278.db2.gz CBWLDAFKHOTDHF-UHFFFAOYSA-N 2 0 319.537 2.772 20 0 DFADRP CC[C@@H](C)C[NH+]1CCN(c2ccccc2OCC[NH+](C)C)CC1 ZINC000481074567 299391558 /nfs/dbraw/zinc/39/15/58/299391558.db2.gz NDCRHOWCIKPNQZ-QGZVFWFLSA-N 2 0 319.493 2.795 20 0 DFADRP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)C[C@H]2CCCC(F)(F)C2)CC1 ZINC000338272671 284097532 /nfs/dbraw/zinc/09/75/32/284097532.db2.gz CQCIXLANFYUDBO-ZBFHGGJFSA-N 2 0 318.452 2.837 20 0 DFADRP C[C@H](C(=O)NCC1([NH+](C)C)CCCCC1)[C@@H]([NH3+])c1ccccc1 ZINC000261648430 203086698 /nfs/dbraw/zinc/08/66/98/203086698.db2.gz FBTFPIIGFFUSEY-DOTOQJQBSA-N 2 0 317.477 2.703 20 0 DFADRP CCC[N@H+](CC)Cc1ccc(C(=O)N2CCC[C@H]([NH2+]C)C2)cc1 ZINC000261732587 203105408 /nfs/dbraw/zinc/10/54/08/203105408.db2.gz MZFDUHZOULGUTJ-SFHVURJKSA-N 2 0 317.477 2.743 20 0 DFADRP [NH3+]CC1(CC(=O)Nc2ccc3c(c2F)CC[NH2+]C3)CCCCC1 ZINC000261812109 203122773 /nfs/dbraw/zinc/12/27/73/203122773.db2.gz WXYJRYHDAAHFRF-UHFFFAOYSA-N 2 0 319.424 2.709 20 0 DFADRP C[N@@H+](Cc1cnn(-c2ccc(F)cc2)c1)CC1CC[NH+](C)CC1 ZINC000093089350 193202354 /nfs/dbraw/zinc/20/23/54/193202354.db2.gz DSRUYQYKNBTFPH-UHFFFAOYSA-N 2 0 316.424 2.785 20 0 DFADRP C[NH+](C)CCOC1CC[NH+](Cc2sccc2Cl)CC1 ZINC000338544460 284126262 /nfs/dbraw/zinc/12/62/62/284126262.db2.gz AWUGWFFTBOCGDA-UHFFFAOYSA-N 2 0 302.871 2.944 20 0 DFADRP CC[NH+](CC)[C@@H](CNC(=O)C[C@@H]1CCC[C@H]1[NH3+])c1ccccc1 ZINC000262006811 203172662 /nfs/dbraw/zinc/17/26/62/203172662.db2.gz VUNLUWPYMYLYLW-KSZLIROESA-N 2 0 317.477 2.703 20 0 DFADRP CCC[C@](C)([NH3+])C(=O)N1CC[C@@H](C)[N@H+](Cc2ccccc2)CC1 ZINC000262334111 203265203 /nfs/dbraw/zinc/26/52/03/203265203.db2.gz WIIMGKBQLZXYKW-APWZRJJASA-N 2 0 317.477 2.627 20 0 DFADRP CC[NH+](CC)Cc1ccccc1CNC(=O)[C@H]1CC[NH2+][C@@H](C)C1 ZINC000262408243 203285805 /nfs/dbraw/zinc/28/58/05/203285805.db2.gz OWRLBQJLVGQMSX-HOTGVXAUSA-N 2 0 317.477 2.533 20 0 DFADRP Fc1cc(Cl)cc(C[NH2+]CCCC[NH+]2CCOCC2)c1 ZINC000275046841 212091108 /nfs/dbraw/zinc/09/11/08/212091108.db2.gz ZRPCMFLYNLVOFP-UHFFFAOYSA-N 2 0 300.805 2.681 20 0 DFADRP CC[NH+](CC)[C@H](CNC(=O)C(C)(C)c1c[nH]cn1)CC(C)C ZINC000621905580 399116391 /nfs/dbraw/zinc/11/63/91/399116391.db2.gz GCMZGKQGRILYNU-AWEZNQCLSA-N 2 0 308.470 2.560 20 0 DFADRP C[C@@H](C[NH3+])C(=O)NCc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000262398247 203284011 /nfs/dbraw/zinc/28/40/11/203284011.db2.gz PCVCFKDKYPQGFZ-HNNXBMFYSA-N 2 0 317.477 2.662 20 0 DFADRP CCN1C[C@@H](C)[C@H]([NH2+]CCCc2cc(OC)ccc2OC)C1 ZINC000340108639 284152305 /nfs/dbraw/zinc/15/23/05/284152305.db2.gz JSOQDLROKAJDSR-RHSMWYFYSA-N 2 0 306.450 2.566 20 0 DFADRP CC(C)c1ccc([C@H]([NH3+])CNC(=O)CCCCCC[NH3+])cc1 ZINC000262553236 203328252 /nfs/dbraw/zinc/32/82/52/203328252.db2.gz UCUAOSUVVHFBNF-QGZVFWFLSA-N 2 0 305.466 2.835 20 0 DFADRP COC(=O)CCC[C@@H]1CCC[C@@H]([NH2+][C@@H]2CC[NH2+]C23CCC3)C1 ZINC000600711396 399120889 /nfs/dbraw/zinc/12/08/89/399120889.db2.gz SVVSDTTYWQTBHJ-ARFHVFGLSA-N 2 0 308.466 2.763 20 0 DFADRP CCC(CC)(CNC(=O)C(C)(C)[NH3+])[NH2+][C@@H](C)c1ccccc1 ZINC000262673566 203376537 /nfs/dbraw/zinc/37/65/37/203376537.db2.gz QAJBCSNUIXDLIR-AWEZNQCLSA-N 2 0 305.466 2.750 20 0 DFADRP C[C@H]([NH2+]CC1CCN(c2cc[nH+]cc2)CC1)[C@@]1(C)CCCO1 ZINC000340270358 284165500 /nfs/dbraw/zinc/16/55/00/284165500.db2.gz AWDIVFOAYBDWDC-MAUKXSAKSA-N 2 0 303.450 2.845 20 0 DFADRP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccc(OC)c(OC)c2)[C@H](C)C1 ZINC000093639349 193279523 /nfs/dbraw/zinc/27/95/23/193279523.db2.gz IXMQCTMKAMJYCT-ZBFHGGJFSA-N 2 0 306.450 2.866 20 0 DFADRP C[C@@H]1CCCC[N@@H+]1CCC1CC[NH+](Cc2ccnn2C)CC1 ZINC000093844564 193317188 /nfs/dbraw/zinc/31/71/88/193317188.db2.gz LNMCVYCKGAHLNV-MRXNPFEDSA-N 2 0 304.482 2.897 20 0 DFADRP COc1ccc(C[N@H+](C)CC(C)(C)C[NH3+])cc1OC(F)F ZINC000093873035 193321405 /nfs/dbraw/zinc/32/14/05/193321405.db2.gz HAOLPMMJXOWCRD-UHFFFAOYSA-N 2 0 302.365 2.713 20 0 DFADRP C[C@@H]([NH2+]CC1CC[NH+](CCN(C)C)CC1)c1ccc(Cl)cn1 ZINC000274986247 212058826 /nfs/dbraw/zinc/05/88/26/212058826.db2.gz ZYJTXTLRSUIBBP-CQSZACIVSA-N 2 0 324.900 2.659 20 0 DFADRP C[C@H](C(=O)NCCC[NH2+]C1CCCCC1)[NH+]1[C@H](C)CC[C@H]1C ZINC000419909511 296151231 /nfs/dbraw/zinc/15/12/31/296151231.db2.gz MHMBIRKPTHAOIQ-BZUAXINKSA-N 2 0 309.498 2.676 20 0 DFADRP CCOc1cc2[nH+]ccc(N(C)[C@@H](C)C[NH3+])c2cc1OCC ZINC000420191539 296161531 /nfs/dbraw/zinc/16/15/31/296161531.db2.gz RRSVYXQOLDKAIN-LBPRGKRZSA-N 2 0 303.406 2.816 20 0 DFADRP Cc1cc(NC[C@@H]([NH3+])C2CC2)c2cc(OC(F)F)ccc2[nH+]1 ZINC000420219190 296163175 /nfs/dbraw/zinc/16/31/75/296163175.db2.gz PHAQLOQFBQRYGA-CYBMUJFWSA-N 2 0 307.344 2.716 20 0 DFADRP CC(C)Oc1ccc2[nH+]ccc(N[C@H](CC[NH3+])C(F)F)c2c1 ZINC000420255805 296166257 /nfs/dbraw/zinc/16/62/57/296166257.db2.gz BVURLOHEEKGFCP-OAHLLOKOSA-N 2 0 309.360 2.838 20 0 DFADRP CCOc1cc2[nH+]ccc(N[C@H](C)[C@H](C)[NH3+])c2cc1OCC ZINC000420274138 296168162 /nfs/dbraw/zinc/16/81/62/296168162.db2.gz YERSRILXEJKMTM-NWDGAFQWSA-N 2 0 303.406 2.602 20 0 DFADRP C[N@H+](CCOc1ccccc1Br)C1CC[NH2+]CC1 ZINC000420281201 296168967 /nfs/dbraw/zinc/16/89/67/296168967.db2.gz ZVBVEWQWLBYXEI-UHFFFAOYSA-N 2 0 313.239 2.512 20 0 DFADRP COCc1cc(NC[C@H]2CCC[C@H]([NH3+])C2)c2cc(F)ccc2n1 ZINC000420290640 296169802 /nfs/dbraw/zinc/16/98/02/296169802.db2.gz USDSFPYWQOFABA-JSGCOSHPSA-N 2 0 317.408 2.872 20 0 DFADRP COCc1cc(NC[C@@H]2CCC[C@H]([NH3+])C2)c2cc(F)ccc2n1 ZINC000420290642 296169861 /nfs/dbraw/zinc/16/98/61/296169861.db2.gz USDSFPYWQOFABA-OCCSQVGLSA-N 2 0 317.408 2.872 20 0 DFADRP C[NH+](C)C[C@@H]1CC[N@H+](CCC(=O)Nc2ccccc2Cl)C1 ZINC000264951934 204298467 /nfs/dbraw/zinc/29/84/67/204298467.db2.gz BTFNUJPZDVXFHB-ZDUSSCGKSA-N 2 0 309.841 2.552 20 0 DFADRP CCC[C@@H]1[C@H](C)CCC[N@@H+]1C[C@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC000420295325 296170526 /nfs/dbraw/zinc/17/05/26/296170526.db2.gz CFACGTMCSADBRK-LULLPPNCSA-N 2 0 304.478 2.818 20 0 DFADRP C[NH2+]CCC1CC[NH+]([C@@H](C)C(=O)Nc2cccc(C)c2C)CC1 ZINC000420298945 296171251 /nfs/dbraw/zinc/17/12/51/296171251.db2.gz AIADMVJJUYYTCW-INIZCTEOSA-N 2 0 317.477 2.952 20 0 DFADRP COc1ccc(C[N@H+](C)C[C@H](C[NH3+])c2ccc(OC)cc2)cc1 ZINC000420296955 296170742 /nfs/dbraw/zinc/17/07/42/296170742.db2.gz CTRGZQLPTNHASR-KRWDZBQOSA-N 2 0 314.429 2.878 20 0 DFADRP C[C@H](c1ccc(F)cc1)[N@H+](C)C[C@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC000420297867 296170749 /nfs/dbraw/zinc/17/07/49/296170749.db2.gz DQRNMRYWBDWCHN-CCKFTAQKSA-N 2 0 316.420 2.749 20 0 DFADRP C[C@H]([C@@H](C)c1ccc(Cl)cc1)[N@H+](C)CCN1CC[NH2+]CC1 ZINC000420301550 296171619 /nfs/dbraw/zinc/17/16/19/296171619.db2.gz LKYKZFSWIGNRDG-HUUCEWRRSA-N 2 0 309.885 2.669 20 0 DFADRP Clc1ccc(CN2CC[NH+](CC[C@@H]3CCC[NH2+]C3)CC2)cc1 ZINC000420298785 296171453 /nfs/dbraw/zinc/17/14/53/296171453.db2.gz HSGJZSFZMMDMTH-INIZCTEOSA-N 2 0 321.896 2.847 20 0 DFADRP CC(C)[C@@](C)(C[NH3+])[NH2+]CCOc1cccc(Br)c1 ZINC000420298667 296171474 /nfs/dbraw/zinc/17/14/74/296171474.db2.gz FNVQBGDEUYODCR-CQSZACIVSA-N 2 0 315.255 2.791 20 0 DFADRP Fc1cccc(C[N@H+](CC[C@@H]2CC[NH2+]C2)C[C@H]2CCCO2)c1 ZINC000420303924 296172077 /nfs/dbraw/zinc/17/20/77/296172077.db2.gz NYKQSEBBAYMMMA-MAUKXSAKSA-N 2 0 306.425 2.806 20 0 DFADRP COC(=O)[C@H](c1cccc(Cl)c1)N1CCC[C@@H](CC[NH3+])C1 ZINC000420309543 296172945 /nfs/dbraw/zinc/17/29/45/296172945.db2.gz LOAVNWSYXHGLKR-WFASDCNBSA-N 2 0 310.825 2.615 20 0 DFADRP C[C@@H]1c2ccccc2CC[N@H+]1C[C@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC000420304953 296172262 /nfs/dbraw/zinc/17/22/62/296172262.db2.gz PADWFBDTUXHBEX-XPGWFJOJSA-N 2 0 310.441 2.537 20 0 DFADRP COc1ccc(C(=O)C2CC[NH+](CC[C@H]3CC[NH2+]C3)CC2)cc1 ZINC000420304201 296172313 /nfs/dbraw/zinc/17/23/13/296172313.db2.gz LFKGOYHVUZBROF-OAHLLOKOSA-N 2 0 316.445 2.590 20 0 DFADRP COC(=O)c1ccc(C[N@H+](CCC[NH3+])CC2CCCC2)s1 ZINC000420306710 296172426 /nfs/dbraw/zinc/17/24/26/296172426.db2.gz AUUCUKULOADGEU-UHFFFAOYSA-N 2 0 310.463 2.876 20 0 DFADRP CC[N@@H+]1CC[C@H](N(C)C[C@H](C[NH3+])c2ccc(OC)cc2)C[C@@H]1C ZINC000420308066 296173047 /nfs/dbraw/zinc/17/30/47/296173047.db2.gz CISWWIGHPFFAFP-SZMVWBNQSA-N 2 0 319.493 2.542 20 0 DFADRP COc1ccc([C@H](C[NH3+])C[N@H+](C)CCc2cccs2)cc1 ZINC000420311472 296173264 /nfs/dbraw/zinc/17/32/64/296173264.db2.gz VZLJFSRPNXRYTR-OAHLLOKOSA-N 2 0 304.459 2.974 20 0 DFADRP COc1ccc([C@@H](C[NH3+])C[NH+]2CCC(OCC(C)C)CC2)cc1 ZINC000420315276 296173713 /nfs/dbraw/zinc/17/37/13/296173713.db2.gz LLPQDRCWBJMLTQ-KRWDZBQOSA-N 2 0 320.477 2.875 20 0 DFADRP c1cc(C[N@@H+](CC[C@H]2CC[NH2+]C2)[C@@H]2CC23CC[NH2+]CC3)cs1 ZINC000420309518 296173010 /nfs/dbraw/zinc/17/30/10/296173010.db2.gz LNNUSNOQNHAVGX-NVXWUHKLSA-N 3 0 319.518 2.692 20 0 DFADRP CC1CC[NH+](C[C@@H]2CCC[N@H+](CC[C@@H]3CCC[NH2+]C3)C2)CC1 ZINC000420318695 296174621 /nfs/dbraw/zinc/17/46/21/296174621.db2.gz OKELVEGNRQRVOR-RBUKOAKNSA-N 3 0 307.526 2.820 20 0 DFADRP CC1CC[NH+](C[C@H]2CCC[N@H+](CC[C@H]3CCC[NH2+]C3)C2)CC1 ZINC000420318693 296174648 /nfs/dbraw/zinc/17/46/48/296174648.db2.gz OKELVEGNRQRVOR-MOPGFXCFSA-N 3 0 307.526 2.820 20 0 DFADRP Fc1ccc(C[N@H+](CCN2CC[NH2+]CC2)C2CCCC2)c(F)c1 ZINC000420323440 296175328 /nfs/dbraw/zinc/17/53/28/296175328.db2.gz UHNSICIRDCCXDH-UHFFFAOYSA-N 2 0 323.431 2.615 20 0 DFADRP CC[C@H](c1ccc(F)cc1)[N@@H+]1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000420323655 296175456 /nfs/dbraw/zinc/17/54/56/296175456.db2.gz GPLJAPFUVCABAR-NVXWUHKLSA-N 2 0 306.425 2.964 20 0 DFADRP [NH3+][C@@H]1CCO[C@H]1C1CC[NH+]([C@@H]2CCc3ccc(F)cc32)CC1 ZINC000420326896 296175619 /nfs/dbraw/zinc/17/56/19/296175619.db2.gz FJEOLGVEDRZQSF-KURKYZTESA-N 2 0 304.409 2.641 20 0 DFADRP CCc1ccccc1NC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000420321398 296174924 /nfs/dbraw/zinc/17/49/24/296174924.db2.gz ZZYSQGJVXIISEQ-CABCVRRESA-N 2 0 303.450 2.637 20 0 DFADRP Cc1ccccc1NC(=O)[C@@H](C)[NH+]1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000420332555 296176524 /nfs/dbraw/zinc/17/65/24/296176524.db2.gz DDVIPKFBPOUDNS-QAPCUYQASA-N 2 0 315.461 2.786 20 0 DFADRP Cc1ccc(NC(=O)C[N@@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)c(C)c1 ZINC000420331379 296176529 /nfs/dbraw/zinc/17/65/29/296176529.db2.gz BVGWJYMRUIMBEB-IRXDYDNUSA-N 2 0 315.461 2.563 20 0 DFADRP CC(C)CCC[C@H](C)NC(=O)C[N@@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420335903 296177162 /nfs/dbraw/zinc/17/71/62/296177162.db2.gz IANLZZKOLVBYLM-RCCFBDPRSA-N 2 0 323.525 2.639 20 0 DFADRP C[C@H](C(=O)NCC1CCCCC1)[NH+]1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000420337262 296177169 /nfs/dbraw/zinc/17/71/69/296177169.db2.gz JUNKRHHGGMNOBB-QAPCUYQASA-N 2 0 321.509 2.535 20 0 DFADRP CCc1cccc(OCC[N@@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)c1 ZINC000420332714 296176748 /nfs/dbraw/zinc/17/67/48/296176748.db2.gz DROGVJRBDASVAM-ZWKOTPCHSA-N 2 0 302.462 2.949 20 0 DFADRP Fc1ccc(OCCC[N@@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)cc1 ZINC000420334984 296176755 /nfs/dbraw/zinc/17/67/55/296176755.db2.gz GZRSGOBVGDKABW-JKSUJKDBSA-N 2 0 306.425 2.916 20 0 DFADRP C[C@@H](C(=O)NC1CCC(C)CC1)[NH+]1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000420334487 296176821 /nfs/dbraw/zinc/17/68/21/296176821.db2.gz GNAZQOLXWXHOKN-LSCKAKRGSA-N 2 0 321.509 2.534 20 0 DFADRP C[C@@H](C(=O)NCC1CCCCC1)[NH+]1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000420337259 296177054 /nfs/dbraw/zinc/17/70/54/296177054.db2.gz JUNKRHHGGMNOBB-MAUKXSAKSA-N 2 0 321.509 2.535 20 0 DFADRP Fc1cccc(-c2cnc(C[N@H+]3CC[C@H]4C[NH2+]C[C@H]4CC3)o2)c1 ZINC000420341844 296177766 /nfs/dbraw/zinc/17/77/66/296177766.db2.gz QKFRDUPGYLEKKE-GASCZTMLSA-N 2 0 315.392 2.912 20 0 DFADRP O=C(C[N@@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1)Nc1ccc(Cl)cc1 ZINC000420341510 296177870 /nfs/dbraw/zinc/17/78/70/296177870.db2.gz ORJYUFUWPZTZMM-ZIAGYGMSSA-N 2 0 321.852 2.600 20 0 DFADRP C[C@@H]1C[C@H]([NH2+]CC2([S@](C)=O)CC2)CCN1Cc1ccccc1 ZINC000282480061 217027320 /nfs/dbraw/zinc/02/73/20/217027320.db2.gz WTYCKACCKZKZQU-JLDZCNIISA-N 2 0 320.502 2.540 20 0 DFADRP CCc1cccc(NC(=O)C[N@@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)c1 ZINC000420346580 296178361 /nfs/dbraw/zinc/17/83/61/296178361.db2.gz YTYMQXKAOPOWBS-IRXDYDNUSA-N 2 0 315.461 2.509 20 0 DFADRP CCc1cccc(NC(=O)C[N@@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)c1 ZINC000420346577 296178392 /nfs/dbraw/zinc/17/83/92/296178392.db2.gz YTYMQXKAOPOWBS-DLBZAZTESA-N 2 0 315.461 2.509 20 0 DFADRP Cc1cccc(NC(=O)C[N@@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)c1C ZINC000420346943 296178415 /nfs/dbraw/zinc/17/84/15/296178415.db2.gz ZMVASFRSLAUKMK-DLBZAZTESA-N 2 0 315.461 2.563 20 0 DFADRP CC[C@@H]1CCCCN1C(=O)[C@@H](C)[NH+]1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000420346848 296178498 /nfs/dbraw/zinc/17/84/98/296178498.db2.gz ZGSXLQRZVGXPSR-NXHRZFHOSA-N 2 0 321.509 2.630 20 0 DFADRP C[C@H]([NH2+]CCN1CC[N@H+](C)C(C)(C)C1)c1ccc2c(c1)CCC2 ZINC000282490852 217036109 /nfs/dbraw/zinc/03/61/09/217036109.db2.gz XMCUYINEXYWCBW-INIZCTEOSA-N 2 0 315.505 2.852 20 0 DFADRP Clc1ccccc1CN1CC[NH+](CC[C@H]2CCC[NH2+]C2)CC1 ZINC000420354213 296178708 /nfs/dbraw/zinc/17/87/08/296178708.db2.gz CMWPJGRHTPENNC-MRXNPFEDSA-N 2 0 321.896 2.847 20 0 DFADRP CC(C)Oc1cccc(C[NH2+]CCN2CC[N@H+](C)C(C)(C)C2)c1 ZINC000282519297 217057235 /nfs/dbraw/zinc/05/72/35/217057235.db2.gz YCTYBVXPFYKGCZ-UHFFFAOYSA-N 2 0 319.493 2.589 20 0 DFADRP C[C@H](c1cccc(F)c1)N1CC[NH+](CC[C@H]2CC[NH2+]C2)CC1 ZINC000420357048 296179613 /nfs/dbraw/zinc/17/96/13/296179613.db2.gz HKWDNCZYALILJN-HZPDHXFCSA-N 2 0 305.441 2.504 20 0 DFADRP CCCOc1ccc(OCC[NH2+][C@@H]2CC[NH2+]CC2(C)C)cc1 ZINC000420361642 296180096 /nfs/dbraw/zinc/18/00/96/296180096.db2.gz MHEHRHFPAIAGFF-QGZVFWFLSA-N 2 0 306.450 2.832 20 0 DFADRP COc1ccc([C@@H](C[NH3+])C[N@@H+]2CCC[C@H]2c2ccncc2)cc1 ZINC000420363962 296180470 /nfs/dbraw/zinc/18/04/70/296180470.db2.gz QERZFBVMOPXTBX-HKUYNNGSSA-N 2 0 311.429 2.970 20 0 DFADRP C[C@@H](Cc1cccc(Cl)c1)[NH2+]CCCC[NH+]1CCOCC1 ZINC000282567035 217095302 /nfs/dbraw/zinc/09/53/02/217095302.db2.gz FASRBVQHVWYASQ-HNNXBMFYSA-N 2 0 310.869 2.973 20 0 DFADRP CC(=O)c1ccc2c(c1)CC[N@@H+](CCC1CC[NH2+]CC1)CC2 ZINC000420367050 296181091 /nfs/dbraw/zinc/18/10/91/296181091.db2.gz GMFFZMQDGJGIQJ-UHFFFAOYSA-N 2 0 300.446 2.680 20 0 DFADRP Cc1ccc(C[NH2+]CCC[NH+]2CCCC2)c(-c2cnn(C)c2)c1 ZINC000282580069 217102389 /nfs/dbraw/zinc/10/23/89/217102389.db2.gz FYHOPRPLVCDBJC-UHFFFAOYSA-N 2 0 312.461 2.971 20 0 DFADRP C[C@H](c1cccc(F)c1)N1CC[NH+](CC[C@@H]2CCC[NH2+]C2)CC1 ZINC000420369043 296181487 /nfs/dbraw/zinc/18/14/87/296181487.db2.gz XJQYNAFYKFXMTB-SJORKVTESA-N 2 0 319.468 2.894 20 0 DFADRP [NH3+][C@@H]1CCCO[C@@H]1C1CC[NH+](CCCc2ccsc2)CC1 ZINC000420370154 296181683 /nfs/dbraw/zinc/18/16/83/296181683.db2.gz CIBJGROXPNKKMZ-IAGOWNOFSA-N 2 0 308.491 2.899 20 0 DFADRP c1cn(CCCC2CC[NH+](CCC3CC[NH2+]CC3)CC2)cn1 ZINC000420371143 296182048 /nfs/dbraw/zinc/18/20/48/296182048.db2.gz ZQQGFUMHSJMPDH-UHFFFAOYSA-N 2 0 304.482 2.765 20 0 DFADRP FC1(F)C[C@@H]1CC[NH2+][C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000622043970 399174760 /nfs/dbraw/zinc/17/47/60/399174760.db2.gz QOJUYIAYTIEGSJ-JGGQBBKZSA-N 2 0 308.372 2.877 20 0 DFADRP CCC[N@@H+]1CC[C@H](C[NH2+]Cc2ccc(OC)c(OC)c2C)C1 ZINC000342051884 284316894 /nfs/dbraw/zinc/31/68/94/284316894.db2.gz BCGIMXLUTULKFW-OAHLLOKOSA-N 2 0 306.450 2.834 20 0 DFADRP [NH3+][C@@H]1CCCO[C@@H]1C1CC[NH+](CCOC2CCCCCC2)CC1 ZINC000420384010 296184061 /nfs/dbraw/zinc/18/40/61/296184061.db2.gz RBUOVWXFIQFHOB-RTBURBONSA-N 2 0 324.509 2.944 20 0 DFADRP C[C@@H](c1ccccc1Cl)[N@@H+]1CCC[C@H](n2cc(C[NH3+])nn2)C1 ZINC000420390208 296184862 /nfs/dbraw/zinc/18/48/62/296184862.db2.gz ZAOMAEIKROKTKP-JSGCOSHPSA-N 2 0 319.840 2.788 20 0 DFADRP CC[NH+]1CCC([NH2+]C[C@H](C(=O)OC(C)(C)C)C2CCC2)CC1 ZINC000596114433 399178106 /nfs/dbraw/zinc/17/81/06/399178106.db2.gz CENZGXUBGJMNSC-INIZCTEOSA-N 2 0 310.482 2.818 20 0 DFADRP C[C@@H](c1cccc(Cl)c1)[N@@H+]1CCC[C@@H](n2cc(C[NH3+])nn2)C1 ZINC000420385691 296184324 /nfs/dbraw/zinc/18/43/24/296184324.db2.gz UEKKACCJSIYDRJ-BLLLJJGKSA-N 2 0 319.840 2.788 20 0 DFADRP C[C@@H]1C[C@@H]([NH2+]C[C@@H](C(=O)OC(C)(C)C)C2CCC2)CC[N@@H+]1C ZINC000596118561 399180387 /nfs/dbraw/zinc/18/03/87/399180387.db2.gz ZXNRMHBDBYTJLE-VNQPRFMTSA-N 2 0 310.482 2.817 20 0 DFADRP CC[C@H]([NH2+]CCOCC[NH3+])c1cc(F)cc(Br)c1 ZINC000420423200 296188102 /nfs/dbraw/zinc/18/81/02/296188102.db2.gz ZYUGORZLQLMNPN-ZDUSSCGKSA-N 2 0 319.218 2.604 20 0 DFADRP C[C@@H](C(=O)N[C@H]1CC[N@@H+](C2CCCCC2)C1)[NH+]1CCCCCC1 ZINC000618662001 399200371 /nfs/dbraw/zinc/20/03/71/399200371.db2.gz VCTSBDJPNUAJFK-IRXDYDNUSA-N 2 0 321.509 2.774 20 0 DFADRP CC[NH+](CC)CC(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC000063783988 399207884 /nfs/dbraw/zinc/20/78/84/399207884.db2.gz MMDXSKAAHSNIFQ-UHFFFAOYSA-N 2 0 317.477 2.995 20 0 DFADRP CC[C@H]1C[N@H+](C)CCCN1C(=O)C[C@H](c1ccccc1)[NH+](C)C ZINC000614342013 399214503 /nfs/dbraw/zinc/21/45/03/399214503.db2.gz MAJRJCKNAUTOPY-ZWKOTPCHSA-N 2 0 317.477 2.622 20 0 DFADRP C[C@@H](O)[C@@](C)(C[NH2+][C@@H]1C[C@H](C)[N@H+](C)C[C@H]1C)Cc1ccccc1 ZINC000188920793 296201824 /nfs/dbraw/zinc/20/18/24/296201824.db2.gz XTOPDHHJAMXUAF-JEIKXUOUSA-N 2 0 318.505 2.935 20 0 DFADRP O=C(NCC[NH+]1CCCC1)c1ccc(Nc2cc[nH+]cc2)cc1 ZINC000081234414 399217491 /nfs/dbraw/zinc/21/74/91/399217491.db2.gz MHOCGLMPFGWGPK-UHFFFAOYSA-N 2 0 310.401 2.651 20 0 DFADRP CCCN(CC[NH+]1CCCCC1)C(=O)C1CC[NH+](C2CC2)CC1 ZINC000342792292 284414572 /nfs/dbraw/zinc/41/45/72/284414572.db2.gz VWZBNYSUVYKQCH-UHFFFAOYSA-N 2 0 321.509 2.585 20 0 DFADRP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]C[C@H]1C[C@@H](O)C1 ZINC000420921723 296212595 /nfs/dbraw/zinc/21/25/95/296212595.db2.gz MHVUGBIVKKSJOZ-GSWVMVDTSA-N 2 0 302.462 2.504 20 0 DFADRP C[C@H]([NH2+]CC1(N2CCCCC2)CC[NH+](C)CC1)[C@@H]1CC1(C)C ZINC000487290626 299455758 /nfs/dbraw/zinc/45/57/58/299455758.db2.gz CNEPYADFFNWKCA-IRXDYDNUSA-N 2 0 307.526 2.961 20 0 DFADRP CC(C)C1CCC([NH+]2CCN(C(=O)C[N@H+](C)C(C)C)CC2)CC1 ZINC000622421712 399252871 /nfs/dbraw/zinc/25/28/71/399252871.db2.gz HDIUVWNAIAFVMU-UHFFFAOYSA-N 2 0 323.525 2.686 20 0 DFADRP CCOC(=O)C1(C)CC([NH2+]Cc2cccc(C[NH+](C)C)c2)C1 ZINC000601262891 399266121 /nfs/dbraw/zinc/26/61/21/399266121.db2.gz ABFAIOADHPHIMZ-UHFFFAOYSA-N 2 0 304.434 2.570 20 0 DFADRP CN(C)CC[NH+]1CCC(C[NH2+]Cc2cccc(C3CC3)c2)CC1 ZINC000421330702 296245096 /nfs/dbraw/zinc/24/50/96/296245096.db2.gz YKCIZEVOYXIFLV-UHFFFAOYSA-N 2 0 315.505 2.927 20 0 DFADRP C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)c1cccc(C[NH+](C)C)c1 ZINC000618989643 399273053 /nfs/dbraw/zinc/27/30/53/399273053.db2.gz UQIZAUSGCDHEJG-INIZCTEOSA-N 2 0 317.477 2.598 20 0 DFADRP CC[NH+](CC)CCC[C@@H](C)[NH2+]Cc1nn(C)c(C)c1Cl ZINC000421342010 296245852 /nfs/dbraw/zinc/24/58/52/296245852.db2.gz MQJKEKBXGYXKGB-GFCCVEGCSA-N 2 0 300.878 2.982 20 0 DFADRP CON1CCC([NH2+]C2CC[NH+]([C@@H]3CCCC[C@H]3C)CC2)CC1 ZINC000421402381 296252853 /nfs/dbraw/zinc/25/28/53/296252853.db2.gz VSKPWIDEEOPPMG-CRAIPNDOSA-N 2 0 309.498 2.645 20 0 DFADRP CC(C)[C@@H]([NH3+])CCN(C)C(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000623067069 399322381 /nfs/dbraw/zinc/32/23/81/399322381.db2.gz YIGYOQKIHVYHMQ-INIZCTEOSA-N 2 0 306.454 2.585 20 0 DFADRP O=[S@](CC[NH+]1CCC(C[NH+]2CCCC2)CC1)c1ccccc1 ZINC000104694755 194027327 /nfs/dbraw/zinc/02/73/27/194027327.db2.gz LWVFZQWHTFMYGB-QFIPXVFZSA-N 2 0 320.502 2.602 20 0 DFADRP C[NH+]1CCC(CC[NH2+]Cc2c[nH]nc2-c2cccs2)CC1 ZINC000105454563 194104400 /nfs/dbraw/zinc/10/44/00/194104400.db2.gz WTVBXIYXHAOPIF-UHFFFAOYSA-N 2 0 304.463 2.960 20 0 DFADRP C[C@H]1C[C@H]1c1ccc(C[NH2+]CC2CC[NH+](CCN(C)C)CC2)o1 ZINC000105451335 194104935 /nfs/dbraw/zinc/10/49/35/194104935.db2.gz JDFLZFJJVCHFCK-MAUKXSAKSA-N 2 0 319.493 2.766 20 0 DFADRP CC[NH+]1CCN(C[C@H](C)C[NH2+]Cc2ccc([C@@H]3C[C@@H]3C)o2)CC1 ZINC000105441873 194105176 /nfs/dbraw/zinc/10/51/76/194105176.db2.gz CUQJNJBNMUQMGF-SOLBZPMBSA-N 2 0 319.493 2.766 20 0 DFADRP C[N@@H+]1CC[C@@H]([NH2+]CCCn2cnc3ccccc32)CC1(C)C ZINC000623342184 399366413 /nfs/dbraw/zinc/36/64/13/399366413.db2.gz KVOLJGWKKCZQRU-OAHLLOKOSA-N 2 0 300.450 2.889 20 0 DFADRP CC[NH+](CC)[C@@H](C(=O)N1[C@@H]2CC[C@H]1C[C@H]([NH3+])C2)c1ccccc1 ZINC000375251653 284754228 /nfs/dbraw/zinc/75/42/28/284754228.db2.gz AHQPUYHSBFTSHO-ZJPYXAASSA-N 2 0 315.461 2.550 20 0 DFADRP C[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CCN(c3ccccc3)C2)CC1(C)C ZINC000623356480 399371226 /nfs/dbraw/zinc/37/12/26/399371226.db2.gz SJPGTUOZSVTBBX-IRXDYDNUSA-N 2 0 301.478 2.975 20 0 DFADRP OCC[NH+]1CCC(C[NH2+]Cc2ccc(-c3ccccc3)o2)CC1 ZINC000105905622 194167033 /nfs/dbraw/zinc/16/70/33/194167033.db2.gz GKYFWHUSMJLUMM-UHFFFAOYSA-N 2 0 314.429 2.741 20 0 DFADRP C[N@@H+]1CC[C@H]([NH2+]C2CCN(Cc3ccccn3)CC2)CC1(C)C ZINC000623361627 399372622 /nfs/dbraw/zinc/37/26/22/399372622.db2.gz HVEZPCRMPXWHFQ-KRWDZBQOSA-N 2 0 316.493 2.508 20 0 DFADRP C[C@@H]1Cc2ccccc2N1CC[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623380514 399376515 /nfs/dbraw/zinc/37/65/15/399376515.db2.gz BSQSXXFCBSCQEH-NVXWUHKLSA-N 2 0 301.478 2.900 20 0 DFADRP C[N@@H+]1CC[C@H]([NH2+]CCc2ccn(-c3ccccc3)n2)CC1(C)C ZINC000623393040 399379309 /nfs/dbraw/zinc/37/93/09/399379309.db2.gz WSCXLFPSTLTIAG-KRWDZBQOSA-N 2 0 312.461 2.877 20 0 DFADRP CCc1ccc([C@H](CNC(=O)[C@@H](C(C)C)[NH+](C)C)[NH+](C)C)cc1 ZINC000106427468 194211696 /nfs/dbraw/zinc/21/16/96/194211696.db2.gz ISNMNFDPXSWMMF-ZWKOTPCHSA-N 2 0 319.493 2.554 20 0 DFADRP C[N@@H+]1CC[C@H]([NH2+]CCNC(=O)c2ccccc2Cl)CC1(C)C ZINC000623418271 399385186 /nfs/dbraw/zinc/38/51/86/399385186.db2.gz JJSPYMWAABPOOT-ZDUSSCGKSA-N 2 0 323.868 2.532 20 0 DFADRP CCOC(=O)C1CCC([NH2+]CC[C@@H]([NH3+])Cc2ccccc2)CC1 ZINC000602020069 399386064 /nfs/dbraw/zinc/38/60/64/399386064.db2.gz IXBRUAAYKWHEBB-LXPRWKDFSA-N 2 0 318.461 2.658 20 0 DFADRP CCOC(=O)C1([C@@H](C)[NH2+]Cc2csc(C)c2C)CC[NH2+]CC1 ZINC000602021578 399386180 /nfs/dbraw/zinc/38/61/80/399386180.db2.gz PUBQQFYFKGTXLF-CQSZACIVSA-N 2 0 324.490 2.776 20 0 DFADRP C[N@@H+]1CC[C@H]([NH2+][C@@H](CO)Cc2c[nH]c3ccccc23)CC1(C)C ZINC000623421718 399386213 /nfs/dbraw/zinc/38/62/13/399386213.db2.gz XLCIKELKUYKJRR-JKSUJKDBSA-N 2 0 315.461 2.534 20 0 DFADRP Cn1c(CC[NH2+][C@H]2CC[N@H+](C)C(C)(C)C2)nc2cc(F)ccc21 ZINC000623425934 399386783 /nfs/dbraw/zinc/38/67/83/399386783.db2.gz VIVIYEAZLZJEHI-AWEZNQCLSA-N 2 0 318.440 2.717 20 0 DFADRP C[C@H](C[NH2+][C@@H]1CCCc2c(Cl)cccc21)N1CC[NH+](C)CC1 ZINC000273620616 210923868 /nfs/dbraw/zinc/92/38/68/210923868.db2.gz YWJBRAQMHNMPPH-RDTXWAMCSA-N 2 0 321.896 2.943 20 0 DFADRP C[C@H](CN[C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C)[NH+](C)C1CC1 ZINC000268835006 207000085 /nfs/dbraw/zinc/00/00/85/207000085.db2.gz AWJVHINBUGDYNN-MBOZVWFJSA-N 2 0 315.505 2.969 20 0 DFADRP C[C@H](CN[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C)[NH+](C)C1CC1 ZINC000268835005 207001052 /nfs/dbraw/zinc/00/10/52/207001052.db2.gz AWJVHINBUGDYNN-HLIPFELVSA-N 2 0 315.505 2.969 20 0 DFADRP C[C@@H]1C[C@@H](C)[N@H+](Cc2cnn(-c3ccc(F)cc3)c2)C[C@@H]1C[NH3+] ZINC000422561085 296312550 /nfs/dbraw/zinc/31/25/50/296312550.db2.gz IXNYSPOGQMSZLY-FMKPAKJESA-N 2 0 316.424 2.817 20 0 DFADRP C[C@@H]1C[C@H](C)[N@H+](Cc2ccc(-c3cnn(C)c3)s2)C[C@H]1C[NH3+] ZINC000422559484 296312208 /nfs/dbraw/zinc/31/22/08/296312208.db2.gz DFSGHGFRVRBCBV-HZSPNIEDSA-N 2 0 318.490 2.954 20 0 DFADRP c1cc(C[NH2+]C2CCC([NH+]3CCNCC3)CC2)cc(C2CC2)c1 ZINC000422558876 296312342 /nfs/dbraw/zinc/31/23/42/296312342.db2.gz ZWOIRRVTQYEVFH-UHFFFAOYSA-N 2 0 313.489 2.870 20 0 DFADRP C[C@@H]1C[C@@H](C)[N@H+](Cc2cc(-n3ccnc3)cs2)C[C@@H]1C[NH3+] ZINC000422562482 296313109 /nfs/dbraw/zinc/31/31/09/296313109.db2.gz QLAICCJLMLRNBH-MCIONIFRSA-N 2 0 304.463 2.739 20 0 DFADRP C[C@@H](C[N@H+](C)Cc1ccccc1)N[C@H]1CC[NH+](C)C(C)(C)C1 ZINC000623484971 399399409 /nfs/dbraw/zinc/39/94/09/399399409.db2.gz JBMAHAJTQGCWRQ-WMZOPIPTSA-N 2 0 303.494 2.969 20 0 DFADRP C[C@H]([NH3+])[C@@H]1COCC[C@H]1[NH2+]Cc1ccccc1OC1CCCC1 ZINC000422697652 296318115 /nfs/dbraw/zinc/31/81/15/296318115.db2.gz VMKDETCGOPHJMH-JCGIZDLHSA-N 2 0 318.461 2.850 20 0 DFADRP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@H]2CCc3c2cccc3F)CC1 ZINC000268925027 207091233 /nfs/dbraw/zinc/09/12/33/207091233.db2.gz RFJXZWNWISLLTF-BEFAXECRSA-N 2 0 319.468 2.676 20 0 DFADRP CC(C)(C[NH2+][C@@H]1CCCC[C@H]1C[NH3+])N1CCc2ccccc2C1 ZINC000422703487 296318576 /nfs/dbraw/zinc/31/85/76/296318576.db2.gz NFDTVEJNPYFVRN-PKOBYXMFSA-N 2 0 315.505 2.930 20 0 DFADRP CC(C)(C[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)N1CCc2ccccc2C1 ZINC000422703595 296318641 /nfs/dbraw/zinc/31/86/41/296318641.db2.gz NLRHUGDGSDEAGD-DFNIBXOVSA-N 2 0 313.489 2.696 20 0 DFADRP C[N@@H+]1CC[C@@H](NC[C@@H]2CC[NH+](Cc3ccccc3)C2)CC1(C)C ZINC000623511074 399404764 /nfs/dbraw/zinc/40/47/64/399404764.db2.gz YZUYLXQFQJOIPC-RBUKOAKNSA-N 3 0 315.505 2.971 20 0 DFADRP Cc1ccc(CC[NH2+][C@@H]2CCOC[C@@H]2[C@@H]2CCC[NH2+]2)c(C)c1 ZINC000422706195 296318973 /nfs/dbraw/zinc/31/89/73/296318973.db2.gz SZNVNNYSVIZGMT-CEXWTWQISA-N 2 0 302.462 2.593 20 0 DFADRP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1[NH2+]CCc1cc(Cl)cc(Cl)c1 ZINC000422707741 296319362 /nfs/dbraw/zinc/31/93/62/296319362.db2.gz AQLZXYOJRUZQKC-LKTVYLICSA-N 2 0 317.260 2.878 20 0 DFADRP [NH3+][C@H]1CCCCC[C@@H]1[NH2+]Cc1ccc(CN2CCCC2=O)cc1 ZINC000422708393 296319379 /nfs/dbraw/zinc/31/93/79/296319379.db2.gz BYGHLSFKSXDERP-ROUUACIJSA-N 2 0 315.461 2.559 20 0 DFADRP C[C@H](C[NH2+][C@H]1CCCC[C@@H]1C[NH3+])N1CCc2ccccc2C1 ZINC000422711888 296320166 /nfs/dbraw/zinc/32/01/66/296320166.db2.gz HQFAORKSQWIOKK-SUMDDJOVSA-N 2 0 301.478 2.540 20 0 DFADRP C[C@@H](C(=O)NCC1CCCCC1)[NH+]1CCC(CC[NH+](C)C)CC1 ZINC000056522766 184015130 /nfs/dbraw/zinc/01/51/30/184015130.db2.gz HUKROEZRGUGGNW-INIZCTEOSA-N 2 0 323.525 2.735 20 0 DFADRP C[C@@H]([NH2+]Cc1ccc(OCc2ccccn2)cc1)[C@H]1CC[NH2+]C1 ZINC000422711324 296320361 /nfs/dbraw/zinc/32/03/61/296320361.db2.gz FTSZPJKFNTYOBR-WBVHZDCISA-N 2 0 311.429 2.748 20 0 DFADRP C[N@@H+]1CCC[C@@H]2C[NH+](CCc3ccc4c(c3)CCO4)CC[C@H]21 ZINC000268940853 207104510 /nfs/dbraw/zinc/10/45/10/207104510.db2.gz AGRSXTSRTLDIFH-QZTJIDSGSA-N 2 0 300.446 2.580 20 0 DFADRP Cc1ccc(C)c(C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)c1 ZINC000057157327 184028904 /nfs/dbraw/zinc/02/89/04/184028904.db2.gz LZXUNMMGTCTBKO-UHFFFAOYSA-N 2 0 319.493 2.649 20 0 DFADRP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cccc3nsnc32)[C@H](C)C1 ZINC000268953959 207118325 /nfs/dbraw/zinc/11/83/25/207118325.db2.gz SYBVQBHRNDBFCA-DOMZBBRYSA-N 2 0 304.463 2.853 20 0 DFADRP COc1ccc(CC[NH2+][C@H](Cc2ccccc2)[C@H](C)[NH3+])cc1F ZINC000422714504 296320699 /nfs/dbraw/zinc/32/06/99/296320699.db2.gz RDVJSSWZNNMOKF-KBXCAEBGSA-N 2 0 316.420 2.925 20 0 DFADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@@H](O)c2ccc(OC(C)C)cc2)[C@@H](C)C1 ZINC000268971034 207135484 /nfs/dbraw/zinc/13/54/84/207135484.db2.gz ZYBQGBDIXFVIHQ-ZYSHUDEJSA-N 2 0 320.477 2.827 20 0 DFADRP C[C@@H](N[C@@H](C[N@@H+]1CCc2ccccc2C1)C(C)(C)C)C1C[NH2+]C1 ZINC000422725374 296322081 /nfs/dbraw/zinc/32/20/81/296322081.db2.gz BFEBMHKJFMPCRT-BEFAXECRSA-N 2 0 315.505 2.657 20 0 DFADRP C[C@H]([NH2+]C1CCN(Cc2ccc(F)c(F)c2)CC1)[C@H]1CCC[NH2+]1 ZINC000422725298 296322149 /nfs/dbraw/zinc/32/21/49/296322149.db2.gz XULNZFAWVTXPPC-SCLBCKFNSA-N 2 0 323.431 2.659 20 0 DFADRP CC(C)[C@@H](CCc1ccccc1)[NH2+]CC1(O)CC[NH+](C)CC1 ZINC000268967059 207131636 /nfs/dbraw/zinc/13/16/36/207131636.db2.gz HGKYWNDUUPHUJX-GOSISDBHSA-N 2 0 304.478 2.690 20 0 DFADRP Cc1cccc(C(=O)NCC[NH2+][C@H](C)C[C@@H]2CCCCC[NH2+]2)c1 ZINC000422729282 296322845 /nfs/dbraw/zinc/32/28/45/296322845.db2.gz HQSNVIKOEZQTEE-AEFFLSMTSA-N 2 0 317.477 2.625 20 0 DFADRP CN(C)[C@H](C[NH2+][C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1)c1cccc(F)c1 ZINC000422727820 296322644 /nfs/dbraw/zinc/32/26/44/296322644.db2.gz HZBSUTNMYXAPQI-WJFTUGDTSA-N 2 0 319.468 2.939 20 0 DFADRP CO[C@@H](C[NH2+][C@@H](C)c1ccc(OCC[NH+](C)C)cc1)C(C)C ZINC000268998666 207155384 /nfs/dbraw/zinc/15/53/84/207155384.db2.gz UFZJTXFLIDEEFR-YJBOKZPZSA-N 2 0 308.466 2.949 20 0 DFADRP C[C@H]([NH3+])CN1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000058268125 184097797 /nfs/dbraw/zinc/09/77/97/184097797.db2.gz USKZRJQBMYBCRH-KRWDZBQOSA-N 2 0 309.457 2.741 20 0 DFADRP C[C@@H]([NH2+]CCCC[NH+](C)C)c1ccc(OCC[NH+](C)C)cc1 ZINC000269012536 207165235 /nfs/dbraw/zinc/16/52/35/207165235.db2.gz NVGDWPDNIHRDBC-MRXNPFEDSA-N 3 0 307.482 2.619 20 0 DFADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC[C@@H]1CCCC[NH+](C)C1 ZINC000623656541 399436401 /nfs/dbraw/zinc/43/64/01/399436401.db2.gz WNKPQWDWXVMHEJ-HOJAQTOUSA-N 2 0 315.505 2.828 20 0 DFADRP COC[C@H](C)Oc1ccc(C[NH2+]C[C@@H]2CCCC[N@H+](C)C2)cc1 ZINC000623656810 399436870 /nfs/dbraw/zinc/43/68/70/399436870.db2.gz CGCQNHDIFSNSQV-WMZOPIPTSA-N 2 0 320.477 2.922 20 0 DFADRP C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1[NH2+]CCCC[NH+](C)C ZINC000269051818 207199790 /nfs/dbraw/zinc/19/97/90/207199790.db2.gz VWVGRGFMGWWZPX-MJGOQNOKSA-N 2 0 303.494 2.828 20 0 DFADRP CCO[C@@H](CC[NH+](C)C)C[NH2+][C@H](Cc1ccccc1)C1CC1 ZINC000269050738 207200390 /nfs/dbraw/zinc/20/03/90/207200390.db2.gz IGTYPQZQSJPESF-RBUKOAKNSA-N 2 0 304.478 2.954 20 0 DFADRP COC(=O)c1csc(C[N@@H+]2CCC[C@@H]2Cn2ccnc2C)c1 ZINC000602487282 399460065 /nfs/dbraw/zinc/46/00/65/399460065.db2.gz YSPNBKRLFHOQIA-CQSZACIVSA-N 2 0 319.430 2.704 20 0 DFADRP Cc1ccc(C[N@H+]2CC[C@H](N3CC[NH+](C(C)C)CC3)C2)c(F)c1 ZINC000602481595 399458188 /nfs/dbraw/zinc/45/81/88/399458188.db2.gz HBMNZADRCWJYOW-SFHVURJKSA-N 2 0 319.468 2.734 20 0 DFADRP C[NH2+]CC1CC[NH+](CCC(=O)Nc2cccc(Cl)c2)CC1 ZINC000063165860 184275160 /nfs/dbraw/zinc/27/51/60/184275160.db2.gz BSXITSLWAOOFNL-UHFFFAOYSA-N 2 0 309.841 2.600 20 0 DFADRP CCC[N@H+](CC)Cc1ccc(C(=O)N2CC[C@@H]([NH3+])[C@H](C)C2)cc1 ZINC000269200957 207319998 /nfs/dbraw/zinc/31/99/98/207319998.db2.gz KHDVLBGPFOCAEZ-CRAIPNDOSA-N 2 0 317.477 2.728 20 0 DFADRP CC[N@H+](Cc1ccc(C(=O)N2CC[C@@H]([NH3+])[C@@H](C)C2)cc1)C(C)C ZINC000269212772 207331822 /nfs/dbraw/zinc/33/18/22/207331822.db2.gz OLIVTSSQNWVRHF-MAUKXSAKSA-N 2 0 317.477 2.726 20 0 DFADRP CCOC(=O)C1([C@H](C)[NH2+]Cc2cccc(Cl)c2)CC[NH2+]CC1 ZINC000422734575 296323741 /nfs/dbraw/zinc/32/37/41/296323741.db2.gz SSBSWTAHUOWDCP-ZDUSSCGKSA-N 2 0 324.852 2.751 20 0 DFADRP CC[C@H](NC[C@@H](c1cccc(F)c1)[NH+](C)C)[C@H]1CCCC[NH2+]1 ZINC000422736723 296323819 /nfs/dbraw/zinc/32/38/19/296323819.db2.gz WIOFNLWJAGNVIJ-KSZLIROESA-N 2 0 307.457 2.939 20 0 DFADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]CCc1ccc2c(c1)CCO2 ZINC000422736023 296323853 /nfs/dbraw/zinc/32/38/53/296323853.db2.gz VNBJDOIEVJVQJX-ZDUSSCGKSA-N 2 0 311.429 2.677 20 0 DFADRP CC[C@@H](NC[C@@H](c1ccccc1)[NH+]1CCCC1)[C@@H]1CCC[NH2+]1 ZINC000422735801 296323876 /nfs/dbraw/zinc/32/38/76/296323876.db2.gz WRXKMUUJWYAJBE-QYZOEREBSA-N 2 0 301.478 2.944 20 0 DFADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+][C@H]1CCC[C@H](C(=O)N(C)C)C1 ZINC000422739449 296324165 /nfs/dbraw/zinc/32/41/65/296324165.db2.gz LILHURCEOIAMDT-QZWWFDLISA-N 2 0 309.498 2.534 20 0 DFADRP C[C@H]([NH2+][C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)c1ccccn1 ZINC000422745746 296325159 /nfs/dbraw/zinc/32/51/59/296325159.db2.gz MTNNLWOXBTWRFY-YJLNNSPDSA-N 2 0 309.413 2.988 20 0 DFADRP C[C@H](N[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1)[C@@H]1CCCC[NH2+]1 ZINC000422740765 296324562 /nfs/dbraw/zinc/32/45/62/296324562.db2.gz NEAVPSSHOBPAGI-DKKFBQAASA-N 2 0 301.478 2.942 20 0 DFADRP Cc1nc(C[NH3+])ccc1[C@@H](C)NC[C@H]1CCC[N@@H+](C(C)C)C1 ZINC000422743263 296324778 /nfs/dbraw/zinc/32/47/78/296324778.db2.gz RFESQBVCXDLTJO-GDBMZVCRSA-N 2 0 304.482 2.620 20 0 DFADRP CC[C@@H](NCc1ccc(F)c(C[NH+](C)C)c1)[C@H]1CCCC[NH2+]1 ZINC000422742451 296324834 /nfs/dbraw/zinc/32/48/34/296324834.db2.gz GPNPCLMZNHAOEE-QZTJIDSGSA-N 2 0 307.457 2.898 20 0 DFADRP C[C@H](c1ccccc1)[NH+]1CCC(N[C@@H]2C[NH2+]CC[C@H]2C)CC1 ZINC000422748407 296325517 /nfs/dbraw/zinc/32/55/17/296325517.db2.gz UJVCILPAADEIDI-GPMSIDNRSA-N 2 0 301.478 2.800 20 0 DFADRP COc1ccccc1[C@H](C[NH2+][C@H]1CCCCC[C@@H]1[NH3+])N(C)C ZINC000422748950 296325630 /nfs/dbraw/zinc/32/56/30/296325630.db2.gz WVPDYAWEPAGHFO-ULQDDVLXSA-N 2 0 305.466 2.548 20 0 DFADRP CC[C@H]([NH2+][C@@H]1CCC[C@@H](C(=O)NC(C)C)C1)[C@@H]1CCCC[NH2+]1 ZINC000422748543 296325755 /nfs/dbraw/zinc/32/57/55/296325755.db2.gz UZSXZBMXHNAOCJ-NCOADZHNSA-N 2 0 309.498 2.580 20 0 DFADRP C[C@H]([NH2+]CC1(c2cccc(Br)c2)CC1)C1C[NH2+]C1 ZINC000422747974 296325859 /nfs/dbraw/zinc/32/58/59/296325859.db2.gz RIATURHQFNRJMZ-NSHDSACASA-N 2 0 309.251 2.678 20 0 DFADRP COC[C@H](CCC[NH3+])[NH2+]C1CCN([C@@H](C)c2ccccc2)CC1 ZINC000422745899 296325380 /nfs/dbraw/zinc/32/53/80/296325380.db2.gz NAIQFPOZFJXARL-LPHOPBHVSA-N 2 0 319.493 2.556 20 0 DFADRP [NH3+][C@@H]1C[C@@H]([NH2+]C[C@@H](CO)Cc2ccc(F)cc2)c2ccccc21 ZINC000422753647 296326795 /nfs/dbraw/zinc/32/67/95/296326795.db2.gz GEOIXOKATDYLIL-GDIGMMSISA-N 2 0 314.404 2.711 20 0 DFADRP COc1cccc([C@@H](CN[C@@H](C)[C@H]2CCC[NH2+]2)[NH+]2CCCC2)c1 ZINC000422753631 296326818 /nfs/dbraw/zinc/32/68/18/296326818.db2.gz GDUXWWKZKCRPJR-KFKAGJAMSA-N 2 0 317.477 2.562 20 0 DFADRP [NH3+]C1CCC([NH2+]CC2(c3ccc(F)cc3)CCOCC2)CC1 ZINC000422753080 296326826 /nfs/dbraw/zinc/32/68/26/296326826.db2.gz DLXMMEDLCXTOAX-UHFFFAOYSA-N 2 0 306.425 2.733 20 0 DFADRP C[C@H]([NH3+])[C@H](Cc1ccccc1)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000422751891 296326426 /nfs/dbraw/zinc/32/64/26/296326426.db2.gz DEPQUAGYJBMVEF-WMQCIHAUSA-N 2 0 323.484 2.809 20 0 DFADRP COc1cccc(N2CCC[C@H]([NH2+][C@H](C)CCCC[NH3+])C2)c1 ZINC000422751585 296326654 /nfs/dbraw/zinc/32/66/54/296326654.db2.gz BOWOLZKALGLTPO-CVEARBPZSA-N 2 0 305.466 2.771 20 0 DFADRP C[C@H]([NH3+])[C@H](Cc1ccccc1)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000422753599 296327013 /nfs/dbraw/zinc/32/70/13/296327013.db2.gz IRSUIOXNDIKSJZ-VDGAXYAQSA-N 2 0 311.473 2.837 20 0 DFADRP c1nc2ccccc2n1CC[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1 ZINC000422755204 296327262 /nfs/dbraw/zinc/32/72/62/296327262.db2.gz GKHHJXKKVVRFAZ-YESZJQIVSA-N 2 0 312.461 2.937 20 0 DFADRP COc1ccc([C@H](CN[C@H]2CCC[C@H]2[NH3+])[NH+]2CCCCC2)cc1 ZINC000422755442 296327283 /nfs/dbraw/zinc/32/72/83/296327283.db2.gz HSRVYHJGYIUCDT-QYZOEREBSA-N 2 0 317.477 2.692 20 0 DFADRP C[C@@H]([NH2+]CCCc1ccc(Br)cc1F)C1C[NH2+]C1 ZINC000422753992 296326937 /nfs/dbraw/zinc/32/69/37/296326937.db2.gz FPNOPCNHHYIIDF-SNVBAGLBSA-N 2 0 315.230 2.718 20 0 DFADRP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+]CCCN1CCCCCC1=O ZINC000422760007 296327949 /nfs/dbraw/zinc/32/79/49/296327949.db2.gz PTMMGVLINWENCD-IAGOWNOFSA-N 2 0 309.498 2.680 20 0 DFADRP Cc1ccc(SCC[NH2+][C@@H]2CCOC[C@@H]2[C@H]2CCC[NH2+]2)cc1 ZINC000422757425 296327764 /nfs/dbraw/zinc/32/77/64/296327764.db2.gz CXPMJBCNPHFYOP-KZNAEPCWSA-N 2 0 320.502 2.834 20 0 DFADRP CC[C@H](CCc1ccccc1)[NH2+]CCCN1CC[NH+](C)CC1 ZINC000623853971 399480216 /nfs/dbraw/zinc/48/02/16/399480216.db2.gz NHNMJCJSUFPVLW-LJQANCHMSA-N 2 0 303.494 2.625 20 0 DFADRP COc1ccc([C@H](CN[C@@H](C)[C@@H]2CCC[NH2+]2)[NH+]2CCCC2)cc1 ZINC000422760938 296328432 /nfs/dbraw/zinc/32/84/32/296328432.db2.gz QPVOQDTUGKYOIJ-SNRMKQJTSA-N 2 0 317.477 2.562 20 0 DFADRP COc1ccc([C@H](C[NH2+][C@@H](C)CCCC[NH3+])N2CCCC2)cc1 ZINC000422760482 296328510 /nfs/dbraw/zinc/32/85/10/296328510.db2.gz QDUZFDRGGWRWQL-LPHOPBHVSA-N 2 0 319.493 2.939 20 0 DFADRP CCOc1cc(CCC[NH2+][C@H]2CCC[C@H]2C[NH3+])ccc1OC ZINC000422768934 296330104 /nfs/dbraw/zinc/33/01/04/296330104.db2.gz ZSNATKYWMAOLOW-HOTGVXAUSA-N 2 0 306.450 2.744 20 0 DFADRP C[C@H](COc1ccccc1C(F)(F)F)[NH2+]C1CC[NH2+]CC1 ZINC000422770083 296330227 /nfs/dbraw/zinc/33/02/27/296330227.db2.gz WJRIFOXUTKZPDH-LLVKDONJSA-N 2 0 302.340 2.814 20 0 DFADRP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+][C@H]1CCCN(c2cccc(F)c2)C1 ZINC000422770813 296330327 /nfs/dbraw/zinc/33/03/27/296330327.db2.gz XHUHAEGOKBSHHL-QILLFSRXSA-N 2 0 305.441 2.902 20 0 DFADRP COc1cccc(N2CCC[C@H]([NH2+][C@H]3CCCC[C@@H]3C[NH3+])C2)c1 ZINC000422770772 296330368 /nfs/dbraw/zinc/33/03/68/296330368.db2.gz XFWHBVFVGNLYHZ-GJYPPUQNSA-N 2 0 317.477 2.771 20 0 DFADRP C[C@@H](NC[C@H]1CCCC[N@@H+]1Cc1ccccc1)[C@@H]1CCC[NH2+]1 ZINC000422776514 296331052 /nfs/dbraw/zinc/33/10/52/296331052.db2.gz CTKXVWOWMXOVQS-QRQLOZEOSA-N 2 0 301.478 2.771 20 0 DFADRP [NH3+]C[C@H]1CCC[C@H]1[NH2+]Cc1ccccc1C[NH+]1CCCCC1 ZINC000422782578 296331851 /nfs/dbraw/zinc/33/18/51/296331851.db2.gz GROTUZGQZVRMKX-VQIMIIECSA-N 3 0 301.478 2.890 20 0 DFADRP COc1ccc([C@H](N[C@@H]2CC[N@H+](C)[C@@H](C)C2)[C@H]2CCC[NH2+]2)cc1 ZINC000422776800 296331103 /nfs/dbraw/zinc/33/11/03/296331103.db2.gz DMSKEPSXTDHEDV-WLWJZTKJSA-N 2 0 317.477 2.561 20 0 DFADRP [NH3+][C@H]1C[C@H]([NH2+]CCCOCC2CCOCC2)c2ccccc21 ZINC000422775156 296331108 /nfs/dbraw/zinc/33/11/08/296331108.db2.gz AJRMFEGRPVTJKH-ROUUACIJSA-N 2 0 304.434 2.554 20 0 DFADRP C[C@H]([NH3+])[C@@H]1COCC[C@H]1[NH2+]Cc1ccccc1C(F)(F)F ZINC000422778669 296331366 /nfs/dbraw/zinc/33/13/66/296331366.db2.gz HVUYRLAUIZTEFB-VHRBIJSZSA-N 2 0 302.340 2.547 20 0 DFADRP C[C@H](CN[C@H](Cc1ccccc1)[C@H](C)[NH3+])[NH+]1CCC(C)CC1 ZINC000422779813 296331393 /nfs/dbraw/zinc/33/13/93/296331393.db2.gz IXMGZEAADJSNKX-ZIFCJYIRSA-N 2 0 303.494 2.655 20 0 DFADRP COc1ccc(OCC[NH2+][C@@H](C)c2ccc(C[NH3+])nc2C)cc1 ZINC000422778068 296331690 /nfs/dbraw/zinc/33/16/90/296331690.db2.gz AANGNHOPWNPNRG-ZDUSSCGKSA-N 2 0 315.417 2.587 20 0 DFADRP C[C@H]([NH3+])C[C@H](C)[NH2+][C@@H]1CCCN(c2ccccc2Cl)C1=O ZINC000422780255 296331987 /nfs/dbraw/zinc/33/19/87/296331987.db2.gz KAHXNQRFZGYHDS-SGMGOOAPSA-N 2 0 309.841 2.551 20 0 DFADRP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(C[NH+]2CCCC2)cc1 ZINC000422781358 296331989 /nfs/dbraw/zinc/33/19/89/296331989.db2.gz IORWJIZXZGXDIE-RBUKOAKNSA-N 3 0 301.478 2.890 20 0 DFADRP C[C@@H](NCc1ccccc1C[NH+]1CCCCC1)[C@@H]1CCC[NH2+]1 ZINC000422786752 296332580 /nfs/dbraw/zinc/33/25/80/296332580.db2.gz LJOGSDARTRKAGO-APWZRJJASA-N 2 0 301.478 2.903 20 0 DFADRP [NH3+]C[C@H]1CCC[C@@H]1[NH2+]Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000422785830 296332746 /nfs/dbraw/zinc/33/27/46/296332746.db2.gz KDFYUDZLNLMCIR-MOPGFXCFSA-N 3 0 301.478 2.890 20 0 DFADRP Cc1cccc(O[C@H](C)C[NH2+][C@@H]2CCOC[C@H]2[C@@H]2CCC[NH2+]2)c1 ZINC000422787999 296332949 /nfs/dbraw/zinc/33/29/49/296332949.db2.gz MVQNALJUNPITSM-XGXHKWSGSA-N 2 0 318.461 2.509 20 0 DFADRP CC(C)C(=O)Nc1ccc(C[NH2+][C@H]2CC[NH2+]CC[C@@H]2C)cc1 ZINC000422788389 296333042 /nfs/dbraw/zinc/33/30/42/296333042.db2.gz AMHPYAJFTCGMGQ-YOEHRIQHSA-N 2 0 303.450 2.759 20 0 DFADRP CSCC[C@@H]([NH2+][C@H](C)CCCC[NH3+])c1nnc2ccccn21 ZINC000422794497 296333959 /nfs/dbraw/zinc/33/39/59/296333959.db2.gz GUCRIKLXRHITHV-ZIAGYGMSSA-N 2 0 321.494 2.631 20 0 DFADRP COc1cccnc1N[C@@H]1CCCN(c2cc(C)nc(C)n2)C1 ZINC000623946139 399500648 /nfs/dbraw/zinc/50/06/48/399500648.db2.gz OGOKOZXCHJZFPC-CQSZACIVSA-N 2 0 313.405 2.578 20 0 DFADRP CO[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422795434 296334507 /nfs/dbraw/zinc/33/45/07/296334507.db2.gz VOILQYITEMMRJQ-QFHJOOASSA-N 2 0 316.445 2.790 20 0 DFADRP C[C@H]([NH3+])C[C@H](C)[NH2+]C[C@H](C)Oc1cccc(Br)c1 ZINC000422796062 296334530 /nfs/dbraw/zinc/33/45/30/296334530.db2.gz IKQCWJFYNBRAOT-SRVKXCTJSA-N 2 0 315.255 2.932 20 0 DFADRP [NH3+][C@H]1CC[C@@H](C(=O)Nc2ccc(CC[NH+]3CCCCC3)cc2)C1 ZINC000269256375 207397341 /nfs/dbraw/zinc/39/73/41/207397341.db2.gz SGMODTNZILBTPT-SJORKVTESA-N 2 0 315.461 2.781 20 0 DFADRP C[C@H](C[NH2+]C1CC[NH2+]CC1)Oc1ccc(Br)cc1 ZINC000422797151 296334811 /nfs/dbraw/zinc/33/48/11/296334811.db2.gz LEKPJHOANMPZPZ-LLVKDONJSA-N 2 0 313.239 2.558 20 0 DFADRP C[NH2+]CCCC(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC000269251390 207388316 /nfs/dbraw/zinc/38/83/16/207388316.db2.gz PVGAEJSIPXWJHP-UHFFFAOYSA-N 2 0 303.450 2.653 20 0 DFADRP CC(C)[C@@H]([NH3+])C(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC000269255135 207396526 /nfs/dbraw/zinc/39/65/26/207396526.db2.gz ROMPOTWMPWSWJT-QGZVFWFLSA-N 2 0 303.450 2.637 20 0 DFADRP CC[C@H](C[NH2+][C@@H](C)CCCC[NH3+])N1CCc2ccccc2C1 ZINC000422802799 296335812 /nfs/dbraw/zinc/33/58/12/296335812.db2.gz DWLFGJKFNCAOAF-QFBILLFUSA-N 2 0 303.494 2.930 20 0 DFADRP C[C@@H](CCNC(=O)CCCCCC[NH3+])[N@H+](C)Cc1ccccc1 ZINC000269257556 207398177 /nfs/dbraw/zinc/39/81/77/207398177.db2.gz KTJPXHCHQGYOCJ-KRWDZBQOSA-N 2 0 319.493 2.922 20 0 DFADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+][C@@H]1CCCC[C@@H]1n1cccn1 ZINC000422809389 296336847 /nfs/dbraw/zinc/33/68/47/296336847.db2.gz MFHOCZSVCRXOAZ-QGTPRVQTSA-N 2 0 313.449 2.880 20 0 DFADRP CC[C@@H]1Oc2cc([C@H](C)[NH2+][C@H](C)C[C@H](C)[NH3+])ccc2NC1=O ZINC000422809907 296336926 /nfs/dbraw/zinc/33/69/26/296336926.db2.gz MOZKBMOMFHAXNO-OXIQGZBJSA-N 2 0 305.422 2.573 20 0 DFADRP CC(C)(C[NH2+][C@@H]1CCCC[C@@H]1C[NH3+])c1ccc2c(c1)OCO2 ZINC000422808118 296337009 /nfs/dbraw/zinc/33/70/09/296337009.db2.gz AJGSYEZSWZZRHY-UKRRQHHQSA-N 2 0 304.434 2.800 20 0 DFADRP CC(=O)Nc1ccc(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)cc1 ZINC000422807411 296336552 /nfs/dbraw/zinc/33/65/52/296336552.db2.gz OUPNCZDAMVFCSU-OKZBNKHCSA-N 2 0 301.434 2.655 20 0 DFADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+][C@@H](C)c1ccc2c(c1)OCO2 ZINC000422815328 296338225 /nfs/dbraw/zinc/33/82/25/296338225.db2.gz XKHWFGFUYTWQID-NWDGAFQWSA-N 2 0 313.401 2.989 20 0 DFADRP C[C@H]1CC[NH2+]CC[C@H]1[NH2+]CC(C)(C)c1ccc2c(c1)OCO2 ZINC000422819884 296339027 /nfs/dbraw/zinc/33/90/27/296339027.db2.gz JFYMESKPERIKQT-DZGCQCFKSA-N 2 0 304.434 2.671 20 0 DFADRP CC[C@@H](NCC[N@H+](C)Cc1ccc(F)cc1)[C@H]1CCCC[NH2+]1 ZINC000422820900 296339306 /nfs/dbraw/zinc/33/93/06/296339306.db2.gz SVKCMCRPSIUDTK-QZTJIDSGSA-N 2 0 307.457 2.768 20 0 DFADRP CCS[C@@H]1CCC[C@H]([NH2+][C@@H]2CCOC[C@@H]2[C@H]2CCC[NH2+]2)C1 ZINC000422818199 296338613 /nfs/dbraw/zinc/33/86/13/296338613.db2.gz JSLHHWMPXIDAFT-MZBWOGCUSA-N 2 0 312.523 2.797 20 0 DFADRP C[C@H]1CC[NH2+]CC[C@@H]1[NH2+]CCC1CCN(CC(F)(F)F)CC1 ZINC000422817256 296338632 /nfs/dbraw/zinc/33/86/32/296338632.db2.gz HCIFEJWVMBANEQ-ZFWWWQNUSA-N 2 0 321.431 2.629 20 0 DFADRP CCC[N@H+](CC)CCN[C@H](c1ccc(OC)cc1)[C@H]1CCC[NH2+]1 ZINC000422816890 296338735 /nfs/dbraw/zinc/33/87/35/296338735.db2.gz BPASBJLEQWZPEJ-RTBURBONSA-N 2 0 319.493 2.810 20 0 DFADRP CC(C)(C[NH2+][C@@H]1CCCCC[C@@H]1[NH3+])c1ccc2c(c1)OCO2 ZINC000422823649 296339812 /nfs/dbraw/zinc/33/98/12/296339812.db2.gz MBKJONUQPSACKY-LSDHHAIUSA-N 2 0 304.434 2.943 20 0 DFADRP [NH3+]C1CCC([NH2+]CC2CC[NH+](Cc3cccs3)CC2)CC1 ZINC000422825591 296339932 /nfs/dbraw/zinc/33/99/32/296339932.db2.gz JTJXKJISMIEMJJ-UHFFFAOYSA-N 3 0 307.507 2.820 20 0 DFADRP CC(C)(C[NH2+][C@@H]1CCCC[C@@H]1C[NH3+])c1ccc2c(c1)OCCO2 ZINC000422824990 296340005 /nfs/dbraw/zinc/34/00/05/296340005.db2.gz OVDMQYZFLCACPV-GDBMZVCRSA-N 2 0 318.461 2.843 20 0 DFADRP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]CCC1CCN(CC(F)(F)F)CC1 ZINC000422821260 296339385 /nfs/dbraw/zinc/33/93/85/296339385.db2.gz VGHPSBRVKVIVOA-LSDHHAIUSA-N 2 0 321.431 2.758 20 0 DFADRP CN(C(=O)C[NH2+][C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1)C1CCCCC1 ZINC000422830258 296340946 /nfs/dbraw/zinc/34/09/46/296340946.db2.gz VQBKXJWMNHMWJR-RCCFBDPRSA-N 2 0 321.509 2.678 20 0 DFADRP Cc1ccc([C@H](CN[C@@H](C)[C@@H]2CCC[NH2+]2)[NH+]2CCCC2)cc1 ZINC000422826729 296340327 /nfs/dbraw/zinc/34/03/27/296340327.db2.gz LYLIHVUDRVMDNV-WDSOQIARSA-N 2 0 301.478 2.862 20 0 DFADRP CCCOc1ccc(C[NH2+][C@@H]2CC[NH2+]CC[C@@H]2C)cc1OC ZINC000422827018 296340450 /nfs/dbraw/zinc/34/04/50/296340450.db2.gz MLDHEMOUVJPITK-GOEBONIOSA-N 2 0 306.450 2.962 20 0 DFADRP C[C@H](c1cccc2ccccc21)[N@@H+]1CC[C@@H](n2cc(C[NH3+])nn2)C1 ZINC000631845834 399508425 /nfs/dbraw/zinc/50/84/25/399508425.db2.gz MDFKKXHYHVEARP-RHSMWYFYSA-N 2 0 321.428 2.898 20 0 DFADRP CC[C@H]([NH2+]CCc1ccc(-n2cccn2)cc1)[C@@H]1CCCC[NH2+]1 ZINC000422829796 296340603 /nfs/dbraw/zinc/34/06/03/296340603.db2.gz UWXXQCMQLPHYAP-OALUTQOASA-N 2 0 312.461 2.925 20 0 DFADRP CC(C)(C[NH2+][C@@H]1CCOC[C@@H]1[C@H]1CCC[NH2+]1)c1ccccc1 ZINC000422833734 296341696 /nfs/dbraw/zinc/34/16/96/296341696.db2.gz MUVUISYXLVYQJV-KZNAEPCWSA-N 2 0 302.462 2.711 20 0 DFADRP C[C@H]([NH3+])[C@H]1COCC[C@H]1[NH2+]CCc1ccc(C(C)(C)C)cc1 ZINC000422844071 296343447 /nfs/dbraw/zinc/34/34/47/296343447.db2.gz KSRGYZURQOOHPE-BMGDILEWSA-N 2 0 304.478 2.869 20 0 DFADRP COc1ccccc1N1CCC([NH2+][C@H]2CCCC[C@H]2C[NH3+])CC1 ZINC000422841032 296342553 /nfs/dbraw/zinc/34/25/53/296342553.db2.gz VBRKYLKKMSWUAY-RDJZCZTQSA-N 2 0 317.477 2.771 20 0 DFADRP CC[C@@H](NC1CC[NH+](CCc2ccccc2)CC1)[C@@H]1CCC[NH2+]1 ZINC000422842997 296343079 /nfs/dbraw/zinc/34/30/79/296343079.db2.gz GQKFZCFFFQAZEY-UXHICEINSA-N 2 0 315.505 2.814 20 0 DFADRP CO[C@@H]1C[C@H]([NH2+][C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)C1(C)C ZINC000422849345 296344552 /nfs/dbraw/zinc/34/45/52/296344552.db2.gz LPKWRZNKFVYHCU-XZKMEQPCSA-N 2 0 316.445 2.645 20 0 DFADRP CC(C)[N@H+](C)Cc1ccccc1C[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000422862653 296346396 /nfs/dbraw/zinc/34/63/96/296346396.db2.gz NWPRHXSAXGFIND-DFNIBXOVSA-N 3 0 301.478 2.899 20 0 DFADRP C[C@H](CN[C@@H](Cc1ccccc1)[C@H](C)[NH3+])[N@@H+]1CCCC[C@@H]1C ZINC000422862119 296346433 /nfs/dbraw/zinc/34/64/33/296346433.db2.gz NKUBCIQLQRLFFB-ZMMAXQRCSA-N 2 0 303.494 2.797 20 0 DFADRP CCCCOc1ccc(C[NH2+][C@H](C)[C@@H]2CC[NH2+]C2)cc1OC ZINC000422858108 296345954 /nfs/dbraw/zinc/34/59/54/296345954.db2.gz ILGJISVYJHYCGM-GDBMZVCRSA-N 2 0 306.450 2.962 20 0 DFADRP CCOCCOc1cc(C)ccc1C[NH2+][C@H]1CCC[C@@H]1C[NH3+] ZINC000422870932 296348121 /nfs/dbraw/zinc/34/81/21/296348121.db2.gz YBDGUTZWNDGBFI-WBVHZDCISA-N 2 0 306.450 2.627 20 0 DFADRP Cc1c(Cl)cccc1NC(=O)CC[NH2+][C@H]1CCC[C@@H]1C[NH3+] ZINC000422865347 296347216 /nfs/dbraw/zinc/34/72/16/296347216.db2.gz XWFDGJIHGAYOFO-DOMZBBRYSA-N 2 0 309.841 2.694 20 0 DFADRP CC1CC[NH+](CCN[C@@H]2CC[NH2+][C@@H](c3ccccc3)C2)CC1 ZINC000422868964 296347490 /nfs/dbraw/zinc/34/74/90/296347490.db2.gz WJTGOGLVVZDRMO-RTBURBONSA-N 2 0 301.478 2.801 20 0 DFADRP Cc1ccc(C[NH2+][C@H](C)CCC[NH3+])c(OC[C@@H]2CCOC2)c1 ZINC000422870298 296347719 /nfs/dbraw/zinc/34/77/19/296347719.db2.gz XOUVCCIMIRYVPA-HZPDHXFCSA-N 2 0 306.450 2.627 20 0 DFADRP Cc1ccc([C@H](C[NH2+][C@H]2CCCC[C@H]2C[NH3+])N2CCCC2)o1 ZINC000422876987 296349135 /nfs/dbraw/zinc/34/91/35/296349135.db2.gz HCUIVISAZFEWIJ-ULQDDVLXSA-N 2 0 305.466 2.832 20 0 DFADRP Cc1ccc(C[NH2+][C@@H]2CCOC[C@H]2[C@@H](C)[NH3+])c(OC(C)C)c1 ZINC000422874330 296348492 /nfs/dbraw/zinc/34/84/92/296348492.db2.gz NKBZDFHYSZSZIJ-HYVNUMGLSA-N 2 0 306.450 2.624 20 0 DFADRP C[C@H]1CC[NH2+]CC[C@@H]1[NH2+]Cc1ccc(N2CCCCC2)nc1 ZINC000422875204 296348768 /nfs/dbraw/zinc/34/87/68/296348768.db2.gz CFTBYEGPYLFTPJ-RDJZCZTQSA-N 2 0 302.466 2.550 20 0 DFADRP Cc1ccc(Cl)cc1N1CC[C@H](C[NH2+][C@@H]2CCC[C@@H]2[NH3+])C1 ZINC000422876462 296348854 /nfs/dbraw/zinc/34/88/54/296348854.db2.gz FXSSEABKRDRXMI-VNQPRFMTSA-N 2 0 307.869 2.944 20 0 DFADRP Cc1ccc([C@H](CN[C@H](C)[C@@H]2CCCC[NH2+]2)[NH+]2CCCC2)o1 ZINC000422877964 296349045 /nfs/dbraw/zinc/34/90/45/296349045.db2.gz JEWJHBZRGATIRE-IKGGRYGDSA-N 2 0 305.466 2.845 20 0 DFADRP CC[N@H+](CCN[C@H](c1ccc(OC)cc1)[C@@H]1CCC[NH2+]1)C(C)C ZINC000422883665 296350204 /nfs/dbraw/zinc/35/02/04/296350204.db2.gz VIUGHIIGNPOPPT-RBUKOAKNSA-N 2 0 319.493 2.808 20 0 DFADRP c1cnn(-c2ccc(C[NH2+][C@@H]3CCC[C@H]3[C@@H]3CCC[NH2+]3)cc2)c1 ZINC000422882906 296350227 /nfs/dbraw/zinc/35/02/27/296350227.db2.gz POHPHTUGCQHPRD-GBESFXJTSA-N 2 0 310.445 2.883 20 0 DFADRP Cc1nc(C[NH3+])ccc1[C@H](C)NCCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000422884008 296350258 /nfs/dbraw/zinc/35/02/58/296350258.db2.gz RGEGOBQEBICDOX-OAGGEKHMSA-N 2 0 318.509 2.867 20 0 DFADRP Cc1ccc([C@H](CN[C@H]2CCCCC[C@H]2[NH3+])[NH+]2CCCC2)o1 ZINC000422885390 296350450 /nfs/dbraw/zinc/35/04/50/296350450.db2.gz YLRDWUNRFZGZJB-IKGGRYGDSA-N 2 0 305.466 2.975 20 0 DFADRP Cc1nc(C)c(CC[NH2+][C@H](Cc2ccccc2)[C@H](C)[NH3+])s1 ZINC000422885593 296350525 /nfs/dbraw/zinc/35/05/25/296350525.db2.gz HCTOTYNRRIBMEI-BLLLJJGKSA-N 2 0 303.475 2.851 20 0 DFADRP C[C@H]([NH3+])[C@H]1COCC[C@H]1[NH2+]CC1(c2ccc(F)cc2)CCCC1 ZINC000422880379 296349430 /nfs/dbraw/zinc/34/94/30/296349430.db2.gz OAHAKSDVKYKBOX-BMGDILEWSA-N 2 0 320.452 2.979 20 0 DFADRP Cc1ccc(C[NH2+][C@H](C)C[C@@H](C)[NH3+])c(OC[C@@H]2CCCO2)c1 ZINC000422881870 296349632 /nfs/dbraw/zinc/34/96/32/296349632.db2.gz ZKUBJVWPNQISNL-INMHGKMJSA-N 2 0 306.450 2.768 20 0 DFADRP C[C@H]([NH2+]Cc1cccc(OCC(F)(F)F)c1)[C@H]1CC[NH2+]C1 ZINC000422881451 296349635 /nfs/dbraw/zinc/34/96/35/296349635.db2.gz NQDGCEWFQKECGI-AAEUAGOBSA-N 2 0 302.340 2.715 20 0 DFADRP [NH3+]C1CCC([NH2+]CCc2ccc(OC(F)(F)F)cc2)CC1 ZINC000422890260 296351168 /nfs/dbraw/zinc/35/11/68/296351168.db2.gz HZSSJGGCQNXLCT-UHFFFAOYSA-N 2 0 302.340 2.987 20 0 DFADRP CCCCOc1cccc(C[NH2+][C@@H]2CCOC[C@@H]2[C@H](C)[NH3+])c1 ZINC000422889844 296351178 /nfs/dbraw/zinc/35/11/78/296351178.db2.gz GZYOTQFITMHLTK-BMGDILEWSA-N 2 0 306.450 2.707 20 0 DFADRP Cc1nc(C[NH3+])ccc1[C@H](C)NCC[N@H+]1[C@H](C)CCC[C@@H]1C ZINC000422891962 296351428 /nfs/dbraw/zinc/35/14/28/296351428.db2.gz WZTHCQNMJNJXHI-ZNMIVQPWSA-N 2 0 304.482 2.762 20 0 DFADRP C[C@H]([NH3+])C[C@H](C)NC1[C@H](C)C[NH+](Cc2ccccc2)C[C@H]1C ZINC000422892448 296351450 /nfs/dbraw/zinc/35/14/50/296351450.db2.gz YPCPPJCMZITFHB-NCOADZHNSA-N 2 0 303.494 2.858 20 0 DFADRP CC1CCN(c2ccc(C[NH2+][C@H]3CC[NH2+]CC[C@@H]3C)cn2)CC1 ZINC000422890941 296351624 /nfs/dbraw/zinc/35/16/24/296351624.db2.gz JPWYSIFIEUWQEB-WMZOPIPTSA-N 2 0 316.493 2.796 20 0 DFADRP Fc1ccc(C[NH2+][C@@H]2CCOC[C@H]2[C@@H]2CCC[NH2+]2)cc1Cl ZINC000422885441 296350660 /nfs/dbraw/zinc/35/06/60/296350660.db2.gz YQDLDEVVMWSKEM-VBNZEHGJSA-N 2 0 312.816 2.726 20 0 DFADRP CC[C@H](C)NC(=O)c1cccc(C[NH2+][C@H]2CC[NH2+]CC[C@H]2C)c1 ZINC000422887609 296350915 /nfs/dbraw/zinc/35/09/15/296350915.db2.gz BKVWKGQWMQMANN-VKJFTORMSA-N 2 0 317.477 2.693 20 0 DFADRP C[C@H](CCn1cccn1)[NH2+][C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000119675628 195015225 /nfs/dbraw/zinc/01/52/25/195015225.db2.gz MELWRVODBQREHZ-IXDOHACOSA-N 2 0 304.482 2.904 20 0 DFADRP Cc1nccn1-c1ccc(C[NH2+][C@@H]2CCC[C@@H]2C[NH3+])cc1F ZINC000422899835 296352897 /nfs/dbraw/zinc/35/28/97/296352897.db2.gz IHECPJKQUJLGSC-GDBMZVCRSA-N 2 0 302.397 2.537 20 0 DFADRP CC[C@@H]([NH2+]CCCOCc1ccc(OC)cc1)[C@@H]1CCC[NH2+]1 ZINC000422900742 296353131 /nfs/dbraw/zinc/35/31/31/296353131.db2.gz ASGAIVUMLZOKHK-MSOLQXFVSA-N 2 0 306.450 2.722 20 0 DFADRP C[C@H]1CC[NH2+]CC[C@H]1[NH2+]Cc1cc(Br)cs1 ZINC000422900781 296353214 /nfs/dbraw/zinc/35/32/14/296353214.db2.gz RASOWUHTDRQHKY-JOYOIKCWSA-N 2 0 303.269 2.988 20 0 DFADRP Fc1ccc(C2(C[NH2+][C@@H]3CCOC[C@@H]3[C@@H]3CCC[NH2+]3)CC2)cc1 ZINC000422897490 296352516 /nfs/dbraw/zinc/35/25/16/296352516.db2.gz JWVSVJLGUZJGLD-FGTMMUONSA-N 2 0 318.436 2.604 20 0 DFADRP Cc1ccc(C[NH2+][C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)cn1 ZINC000422896559 296352606 /nfs/dbraw/zinc/35/26/06/296352606.db2.gz IMYBAUGSCLHZAB-PKOBYXMFSA-N 2 0 309.413 2.736 20 0 DFADRP C[C@@H](CCCC[NH3+])[NH2+]Cc1cccc(CN2CCO[C@H](C)C2)c1 ZINC000422903636 296353809 /nfs/dbraw/zinc/35/38/09/296353809.db2.gz OQICSBSHOUYMJP-DLBZAZTESA-N 2 0 319.493 2.514 20 0 DFADRP C[C@H](CCc1ccc2c(c1)OCO2)[NH2+]CC(C)(C)C[NH+](C)C ZINC000119918523 195062583 /nfs/dbraw/zinc/06/25/83/195062583.db2.gz CWQQTRIJSYBSGR-CQSZACIVSA-N 2 0 306.450 2.914 20 0 DFADRP CC[C@@H](Cc1ccccc1Br)[NH2+][C@@H](C)C1C[NH2+]C1 ZINC000422928200 296356526 /nfs/dbraw/zinc/35/65/26/296356526.db2.gz JLYXNRRATFLWPK-FZMZJTMJSA-N 2 0 311.267 2.968 20 0 DFADRP CC(C)c1noc(CCC[NH2+][C@@H](Cc2ccccc2)[C@@H](C)[NH3+])n1 ZINC000422943623 296358601 /nfs/dbraw/zinc/35/86/01/296358601.db2.gz YNSNNRPIOOOPIH-ZBFHGGJFSA-N 2 0 316.449 2.674 20 0 DFADRP FC(F)(F)c1ccc(OCC[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000422935822 296357732 /nfs/dbraw/zinc/35/77/32/296357732.db2.gz DWJIMWZNRVAJQS-PBWFPOADSA-N 2 0 314.351 2.957 20 0 DFADRP COC[C@H](CCC[NH3+])[NH2+]CCOc1cccc2ccccc21 ZINC000422937388 296357828 /nfs/dbraw/zinc/35/78/28/296357828.db2.gz GIVHCAPSXZCTQA-INIZCTEOSA-N 2 0 302.418 2.562 20 0 DFADRP CCCCNC(=O)c1ccc(C[NH2+][C@@H]2CCCC[C@@H]2C[NH3+])cc1 ZINC000422944717 296358961 /nfs/dbraw/zinc/35/89/61/296358961.db2.gz SLEXZVRKZMWEHV-QZTJIDSGSA-N 2 0 317.477 2.824 20 0 DFADRP C[C@H]([NH2+]CCOc1ccc(C(F)(F)F)cc1)[C@@H]1CC[NH2+]C1 ZINC000422949085 296359573 /nfs/dbraw/zinc/35/95/73/296359573.db2.gz SRANRFQYUWVMHB-NWDGAFQWSA-N 2 0 302.340 2.672 20 0 DFADRP CC[C@H]([NH2+][C@@H](C)[C@@H]1CCC[NH2+]C1)c1ccc2c(c1)OCCO2 ZINC000422949368 296359779 /nfs/dbraw/zinc/35/97/79/296359779.db2.gz TXCBNFPZKQYJQH-IMJJTQAJSA-N 2 0 304.434 2.887 20 0 DFADRP CC[N@H+](C)C[C@H]1CCN(c2nc3ccccc3n3cncc23)C1 ZINC000624005948 399520623 /nfs/dbraw/zinc/52/06/23/399520623.db2.gz HCARVZADRJOOIS-CQSZACIVSA-N 2 0 309.417 2.661 20 0 DFADRP C[N@H+](CCCN[C@@H]1CC[NH+]2CCC[C@H]2C1)Cc1ccccc1 ZINC000269989977 208041229 /nfs/dbraw/zinc/04/12/29/208041229.db2.gz UNXVRGYAUKRFQB-MOPGFXCFSA-N 2 0 301.478 2.725 20 0 DFADRP C[C@H]1CC[NH2+]C[C@H]1NCCc1coc(-c2ccc(F)cc2)n1 ZINC000422946037 296358843 /nfs/dbraw/zinc/35/88/43/296358843.db2.gz ODOAGPGWNZUHKM-BLLLJJGKSA-N 2 0 303.381 2.611 20 0 DFADRP CC[C@H](C)C(=O)Nc1cccc(C[NH2+][C@@H](C)[C@H]2CC[NH2+]C2)c1 ZINC000422944544 296358849 /nfs/dbraw/zinc/35/88/49/296358849.db2.gz MLSFGRBLYCKPLF-DZKIICNBSA-N 2 0 303.450 2.759 20 0 DFADRP C[C@H]([NH2+]CCOc1ccccc1C(F)(F)F)[C@H]1CC[NH2+]C1 ZINC000422954914 296360631 /nfs/dbraw/zinc/36/06/31/296360631.db2.gz INCZWDGEQREWTI-RYUDHWBXSA-N 2 0 302.340 2.672 20 0 DFADRP C[C@@H]([NH2+]CC1CC[NH+](Cc2ccncc2)CC1)[C@H]1CCCCO1 ZINC000624012216 399523074 /nfs/dbraw/zinc/52/30/74/399523074.db2.gz UMFYCNXCQVBJAF-VQIMIIECSA-N 2 0 317.477 2.841 20 0 DFADRP C[C@H]([NH3+])C[C@H](C)[NH2+]CCCc1nc(-c2ccncc2)cs1 ZINC000422956966 296360789 /nfs/dbraw/zinc/36/07/89/296360789.db2.gz RSPWDLZVGUGDSA-STQMWFEESA-N 2 0 304.463 2.853 20 0 DFADRP [NH3+][C@H]1CCC[C@@H]1[NH2+]CCCc1nc(-c2ccncc2)cs1 ZINC000422958220 296360953 /nfs/dbraw/zinc/36/09/53/296360953.db2.gz XCXXCTOGWWUGHT-KBPBESRZSA-N 2 0 302.447 2.607 20 0 DFADRP C[C@@H]([NH2+]CCc1nc(-c2ccc(Cl)cc2)no1)[C@H]1CC[NH2+]C1 ZINC000422958764 296361055 /nfs/dbraw/zinc/36/10/55/296361055.db2.gz PUXHBUNXXGPGMR-YPMHNXCESA-N 2 0 320.824 2.520 20 0 DFADRP C[C@@H](Nc1cccc(C[NH+]2C[C@@H](C)O[C@H](C)C2)c1)[C@@H]1CCC[NH2+]1 ZINC000422958897 296361094 /nfs/dbraw/zinc/36/10/94/296361094.db2.gz ZHDFPDQQIZARQS-NNFUDEMPSA-N 2 0 317.477 2.848 20 0 DFADRP C[C@H]1CC[NH2+]C[C@H]1Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000422953811 296360293 /nfs/dbraw/zinc/36/02/93/296360293.db2.gz GNEZFOLPXPYBLM-WMLDXEAASA-N 2 0 305.491 2.645 20 0 DFADRP C[C@@H]1C[NH+](Cc2cccc(N[C@@H]3C[NH2+]CC[C@@H]3C)c2)C[C@@H](C)O1 ZINC000422953571 296360462 /nfs/dbraw/zinc/36/04/62/296360462.db2.gz FRDBSZJMPRUREQ-WFXMFSGNSA-N 2 0 317.477 2.706 20 0 DFADRP [NH3+]C1CCC([NH2+]CCOc2ccccc2C(F)(F)F)CC1 ZINC000422960662 296361304 /nfs/dbraw/zinc/36/13/04/296361304.db2.gz XDSPZGVMJKWRBX-UHFFFAOYSA-N 2 0 302.340 2.944 20 0 DFADRP CCc1noc(-c2ccc(CC[NH2+][C@H](C)C[C@@H](C)[NH3+])cc2)n1 ZINC000422960531 296361509 /nfs/dbraw/zinc/36/15/09/296361509.db2.gz WUNILGXVGJLMQR-CHWSQXEVSA-N 2 0 302.422 2.557 20 0 DFADRP CCC(CC)[C@H](CN[C@@H](Cc1ccccc1)[C@@H](C)[NH3+])[NH+](C)C ZINC000422962708 296361662 /nfs/dbraw/zinc/36/16/62/296361662.db2.gz GMUXUJFQKSHAKT-MNEFBYGVSA-N 2 0 305.510 2.901 20 0 DFADRP C[C@H]([NH3+])[C@@H]1COCC[C@H]1[NH2+]Cc1ccc(-c2ccccc2)o1 ZINC000422966746 296361907 /nfs/dbraw/zinc/36/19/07/296361907.db2.gz AMLHXQGDVYIPBL-RRQGHBQHSA-N 2 0 300.402 2.789 20 0 DFADRP c1cn(-c2ccccc2C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)cn1 ZINC000422966990 296362087 /nfs/dbraw/zinc/36/20/87/296362087.db2.gz OMDQITZBSWOJEJ-KZNAEPCWSA-N 2 0 310.445 2.883 20 0 DFADRP CCOC(=O)C1([C@@H](C)[NH2+]CC2CCC(C)CC2)CC[NH2+]CC1 ZINC000422970507 296362933 /nfs/dbraw/zinc/36/29/33/296362933.db2.gz GLTAVCVKKKGMPP-HWOWSKLDSA-N 2 0 310.482 2.724 20 0 DFADRP C[C@@H](NC1CC[NH+]([C@@H](C)c2ccncc2)CC1)[C@@H]1CCCC[NH2+]1 ZINC000422970726 296362936 /nfs/dbraw/zinc/36/29/36/296362936.db2.gz WTTRWQPFFIZOHE-GJYPPUQNSA-N 2 0 316.493 2.727 20 0 DFADRP C[C@@H]([NH2+]Cc1ccnc(OCc2ccccc2)c1)[C@@H]1CC[NH2+]C1 ZINC000422971414 296362980 /nfs/dbraw/zinc/36/29/80/296362980.db2.gz IRPVBOBARQAVNW-CRAIPNDOSA-N 2 0 311.429 2.748 20 0 DFADRP C[C@@H](CCC[NH3+])[NH2+]Cc1ccc(COC2CCOCC2)cc1 ZINC000422969654 296363008 /nfs/dbraw/zinc/36/30/08/296363008.db2.gz VAZUQOSGRVYZOX-HNNXBMFYSA-N 2 0 306.450 2.599 20 0 DFADRP c1cc(OCC2CC2)ncc1C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000422970700 296363062 /nfs/dbraw/zinc/36/30/62/296363062.db2.gz GXWCHEIHIMXASF-FGTMMUONSA-N 2 0 315.461 2.881 20 0 DFADRP C[C@@H]([NH2+]Cc1ccnc(OC2CCCCC2)c1)[C@@H]1CC[NH2+]C1 ZINC000422969672 296363075 /nfs/dbraw/zinc/36/30/75/296363075.db2.gz DDLWKARGSNILFD-GDBMZVCRSA-N 2 0 303.450 2.881 20 0 DFADRP CCC[N@@H+]1CC[C@H](CN[C@@H]2CC[NH2+][C@H](c3ccccc3)C2)C1 ZINC000422976098 296363263 /nfs/dbraw/zinc/36/32/63/296363263.db2.gz UQFVVDQSCBCTMO-QRQLOZEOSA-N 3 0 301.478 2.801 20 0 DFADRP c1ccc(N2CC[C@H]([NH2+][C@@H]3CCC[C@H]3[C@@H]3CCCC[NH2+]3)C2)nc1 ZINC000422968860 296362527 /nfs/dbraw/zinc/36/25/27/296362527.db2.gz SHBWPQRHYUGLEM-XLAORIBOSA-N 2 0 314.477 2.561 20 0 DFADRP CC(C)[N@@H+]1C[C@@H](C)[C@@H](N[C@H]2CC[NH2+][C@@H](c3ccccc3)C2)C1 ZINC000422987760 296364163 /nfs/dbraw/zinc/36/41/63/296364163.db2.gz HJSDTIHRQFLRLN-LULLPPNCSA-N 2 0 301.478 2.798 20 0 DFADRP COCCC1(C[NH2+][C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)CC1 ZINC000422988196 296364236 /nfs/dbraw/zinc/36/42/36/296364236.db2.gz INNXTUMTAMITOG-VQIMIIECSA-N 2 0 316.445 2.649 20 0 DFADRP c1cc(-c2ccccc2)oc1C[NH2+][C@H](C1CC1)[C@H]1CNCCO1 ZINC000422976854 296363315 /nfs/dbraw/zinc/36/33/15/296363315.db2.gz VRQQMYDUZIDNFN-RTBURBONSA-N 2 0 312.413 2.803 20 0 DFADRP Oc1ccccc1CC[NH2+][C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422975735 296363343 /nfs/dbraw/zinc/36/33/43/296363343.db2.gz UAOMGIKCRWGBME-PXNSSMCTSA-N 2 0 324.424 2.780 20 0 DFADRP C[C@@H]([NH3+])C[C@H](C)[NH2+]Cc1ccc(N2CCc3ccccc3C2)nc1 ZINC000422972531 296363421 /nfs/dbraw/zinc/36/34/21/296363421.db2.gz MAGGYMYDLROHIZ-CVEARBPZSA-N 2 0 324.472 2.860 20 0 DFADRP C[C@H]([NH3+])[C@H]1COCC[C@@H]1[NH2+]CCOc1cccc(C(C)(C)C)c1 ZINC000422983283 296363909 /nfs/dbraw/zinc/36/39/09/296363909.db2.gz SPAOZKALLBUYTK-QGTPRVQTSA-N 2 0 320.477 2.705 20 0 DFADRP c1ccc(CCC[NH2+][C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)nc1 ZINC000422992235 296364821 /nfs/dbraw/zinc/36/48/21/296364821.db2.gz CIQKIHKDSZQPJI-AZUAARDMSA-N 2 0 323.440 2.860 20 0 DFADRP c1ccc(CC2(C[NH2+][C@@H]3CCOC[C@@H]3[C@@H]3CCC[NH2+]3)CC2)cc1 ZINC000422993821 296365020 /nfs/dbraw/zinc/36/50/20/296365020.db2.gz GKGOXIBGHIPXEJ-CEXWTWQISA-N 2 0 314.473 2.756 20 0 DFADRP CC(C)(CO)CCC[NH2+][C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423004592 296366178 /nfs/dbraw/zinc/36/61/78/296366178.db2.gz KCQDIKWMJHYFHO-APWZRJJASA-N 2 0 318.461 2.631 20 0 DFADRP CC(C)(CO)CCC[NH2+][C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423004595 296366249 /nfs/dbraw/zinc/36/62/49/296366249.db2.gz KCQDIKWMJHYFHO-VQIMIIECSA-N 2 0 318.461 2.631 20 0 DFADRP CN1CC[C@H]([NH2+]C2CCC([NH3+])CC2)[C@@H]1c1ccc(Cl)cc1 ZINC000423008636 296367157 /nfs/dbraw/zinc/36/71/57/296367157.db2.gz ATCRMSTYHWCIOA-GQGLESIBSA-N 2 0 307.869 2.945 20 0 DFADRP C[C@H](CCC[NH3+])[NH2+][C@@H]1CCN(C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000423009014 296366962 /nfs/dbraw/zinc/36/69/62/296366962.db2.gz BPFVNRYTBPFPFA-HFBAOOFYSA-N 2 0 313.848 2.941 20 0 DFADRP COc1ccc([C@@H](OC)[C@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000423015165 296367701 /nfs/dbraw/zinc/36/77/01/296367701.db2.gz KCONTTGERFBLDT-INRBYPDRSA-N 2 0 304.434 2.644 20 0 DFADRP C[C@H](C[NH2+][C@H]1CCCC[C@H]1C[NH3+])c1nc(-c2ccccc2)no1 ZINC000423014037 296367721 /nfs/dbraw/zinc/36/77/21/296367721.db2.gz NXDUQVMZOBXECP-KBMXLJTQSA-N 2 0 314.433 2.947 20 0 DFADRP C[C@@H](CCCC[NH3+])[NH2+]CCOc1cccc(C(F)(F)F)n1 ZINC000423013504 296367861 /nfs/dbraw/zinc/36/78/61/296367861.db2.gz MZZGCZNYXLQZNX-NSHDSACASA-N 2 0 305.344 2.586 20 0 DFADRP CC(C)C[C@H]([NH2+]C1CCC(C[NH3+])CC1)C(=O)Nc1nccs1 ZINC000423017273 296368145 /nfs/dbraw/zinc/36/81/45/296368145.db2.gz OGIIJBUDYGEXQD-RUXDESIVSA-N 2 0 324.494 2.603 20 0 DFADRP COC[C@H](CCC[NH3+])[NH2+][C@H]1CCO[C@@H]1c1ccc(Cl)cc1 ZINC000423012477 296367488 /nfs/dbraw/zinc/36/74/88/296367488.db2.gz DEBNXJJZEGFTKX-HRCADAONSA-N 2 0 312.841 2.514 20 0 DFADRP C[N@@H+]1CC[C@H]([NH2+]C[C@@H]2Cc3ccccc3CO2)[C@@H]2CCC[C@H]21 ZINC000624055692 399538054 /nfs/dbraw/zinc/53/80/54/399538054.db2.gz MRABSRFVGYJZKO-CADBVGFASA-N 2 0 300.446 2.590 20 0 DFADRP [NH3+]C[C@H]1CCC[C@H]1[NH2+]CCCc1nc(-c2ccc(F)cc2)no1 ZINC000423027006 296369105 /nfs/dbraw/zinc/36/91/05/296369105.db2.gz CQJUTWAXLACEKY-UKRRQHHQSA-N 2 0 318.396 2.525 20 0 DFADRP COc1ccccc1OC[C@@H](C)C[NH2+][C@@H](C)[C@@H]1CCCC[NH2+]1 ZINC000423024333 296369415 /nfs/dbraw/zinc/36/94/15/296369415.db2.gz LMTGGNNTEBAURV-JYJNAYRXSA-N 2 0 306.450 2.830 20 0 DFADRP COc1ccccc1OC[C@H](C)C[NH2+][C@H]1CCCCC[C@H]1[NH3+] ZINC000423022034 296368748 /nfs/dbraw/zinc/36/87/48/296368748.db2.gz GVGRDCKBIFXQRM-OAGGEKHMSA-N 2 0 306.450 2.960 20 0 DFADRP CC(C)[NH+]1CCN(c2cccc(N[C@@H]3CCC[C@@H]3[NH3+])c2)CC1 ZINC000423021543 296368798 /nfs/dbraw/zinc/36/87/98/296368798.db2.gz CDKDULSUVOEEKG-ZWKOTPCHSA-N 2 0 302.466 2.509 20 0 DFADRP CC(C)[NH+]1CCN(c2cccc(N[C@H](C)CCC[NH3+])c2)CC1 ZINC000423023641 296368876 /nfs/dbraw/zinc/36/88/76/296368876.db2.gz HVBSIVTWJLISBO-MRXNPFEDSA-N 2 0 304.482 2.756 20 0 DFADRP COC[C@H](CCC[NH3+])[NH2+][C@@H](c1cccc(C)c1)c1ccccn1 ZINC000423033240 296370334 /nfs/dbraw/zinc/37/03/34/296370334.db2.gz ZHSQBGBLVDNCCW-HKUYNNGSSA-N 2 0 313.445 2.823 20 0 DFADRP COc1ccc(C[C@H](C)C[NH2+]C2CCC([NH3+])CC2)cc1OC ZINC000423031647 296369976 /nfs/dbraw/zinc/36/99/76/296369976.db2.gz XKERWMAQUMTVJQ-JEYLPNPQSA-N 2 0 306.450 2.742 20 0 DFADRP Cc1nn(CC(F)(F)F)c(C)c1[C@@H](C)[NH2+][C@@H](C)CCC[NH3+] ZINC000423042326 296371087 /nfs/dbraw/zinc/37/10/87/296371087.db2.gz KPEDRJADYJZREQ-VHSXEESVSA-N 2 0 306.376 2.840 20 0 DFADRP COC[C@H](CCC[NH3+])[NH2+][C@@H]1CCc2[nH]c3ccc(C)cc3c2C1 ZINC000423039650 296370531 /nfs/dbraw/zinc/37/05/31/296370531.db2.gz FVMJYTUSEZLHJX-CABCVRRESA-N 2 0 315.461 2.677 20 0 DFADRP CC(C)(C)[C@H](CCO)[NH2+][C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423039803 296370680 /nfs/dbraw/zinc/37/06/80/296370680.db2.gz RTDQEZLRWXGGBT-VDZJLULYSA-N 2 0 318.461 2.629 20 0 DFADRP C[C@H]([NH2+][C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)[C@@H]1CCCOC1 ZINC000423041507 296370901 /nfs/dbraw/zinc/37/09/01/296370901.db2.gz JFYGQFCCDOZIMI-BUIAKZPTSA-N 2 0 316.445 2.647 20 0 DFADRP CC(C)N1CC[C@@H]([NH2+][C@@H](C)C2C[NH2+]C2)[C@@H]1c1ccc(F)c(F)c1 ZINC000423042615 296371019 /nfs/dbraw/zinc/37/10/19/296371019.db2.gz LKGBYHOMNMCMAJ-RZAIGCCYSA-N 2 0 323.431 2.686 20 0 DFADRP Cc1nc(C[NH3+])ccc1[C@H](C)N[C@H](C)C[NH+]1CCCCCC1 ZINC000423045043 296371275 /nfs/dbraw/zinc/37/12/75/296371275.db2.gz BGBZAZSMRBSQAT-CABCVRRESA-N 2 0 304.482 2.764 20 0 DFADRP FC(F)c1ccc(C[NH2+][C@@H]2CCOC[C@H]2[C@H]2CCC[NH2+]2)cc1 ZINC000423045328 296371312 /nfs/dbraw/zinc/37/13/12/296371312.db2.gz CSPXSLPDWGUAJN-ARFHVFGLSA-N 2 0 310.388 2.871 20 0 DFADRP C[C@H]([NH2+][C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)[C@@H]1CCCCO1 ZINC000423044952 296371454 /nfs/dbraw/zinc/37/14/54/296371454.db2.gz RMRSFCLJHNSBML-LKCYJCQHSA-N 2 0 316.445 2.790 20 0 DFADRP CC[C@@H]([NH2+]CCCN1CCC[C@H]1C(N)=O)c1cc(C)ccc1C ZINC000624086583 399548459 /nfs/dbraw/zinc/54/84/59/399548459.db2.gz MNRBWPYEPVNJQE-MSOLQXFVSA-N 2 0 317.477 2.684 20 0 DFADRP Cc1ccccc1C[C@H](CO)[NH2+][C@H](C)C[C@@H]1CCCCC[NH2+]1 ZINC000423056138 296372708 /nfs/dbraw/zinc/37/27/08/296372708.db2.gz FDMPPQSVWZWFBQ-NZSAHSFTSA-N 2 0 304.478 2.799 20 0 DFADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]C[C@]1(O)CCC[C@@H](C(F)(F)F)C1 ZINC000423058762 296373202 /nfs/dbraw/zinc/37/32/02/296373202.db2.gz DALKEBVMNTXRKV-CRWXNKLISA-N 2 0 308.388 2.577 20 0 DFADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]C[C@@]1(O)CCC[C@H](C(F)(F)F)C1 ZINC000423058764 296373241 /nfs/dbraw/zinc/37/32/41/296373241.db2.gz DALKEBVMNTXRKV-XDQVBPFNSA-N 2 0 308.388 2.577 20 0 DFADRP CCOC(=O)C1([C@H](C)[NH2+][C@@H]2CCC[C@H](C)CC2)CC[NH2+]CC1 ZINC000423057391 296373258 /nfs/dbraw/zinc/37/32/58/296373258.db2.gz HJKCBIMSOOCIQR-HRCADAONSA-N 2 0 310.482 2.866 20 0 DFADRP Cc1oc2ccccc2c1C[NH2+][C@@H]1CCOC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000423057136 296373329 /nfs/dbraw/zinc/37/33/29/296373329.db2.gz ZFYHXEHAVSYEEX-FGTMMUONSA-N 2 0 314.429 2.988 20 0 DFADRP CSCc1cccc(C[NH2+][C@@H]2CCOC[C@@H]2[C@@H]2CCC[NH2+]2)c1 ZINC000423060081 296373623 /nfs/dbraw/zinc/37/36/23/296373623.db2.gz NLPRBPKLDHZBHX-FGTMMUONSA-N 2 0 320.502 2.796 20 0 DFADRP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+]C[C@@]1(O)CCC[C@@H](C(F)(F)F)C1 ZINC000423062053 296373627 /nfs/dbraw/zinc/37/36/27/296373627.db2.gz SEEMRGZFIMIAOU-YIYPIFLZSA-N 2 0 308.388 2.720 20 0 DFADRP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]CCCOc1ccc(C(F)(F)F)cn1 ZINC000423068846 296374389 /nfs/dbraw/zinc/37/43/89/296374389.db2.gz CXMQDGXRVNZOHJ-AAEUAGOBSA-N 2 0 317.355 2.586 20 0 DFADRP C[C@@H](NC[C@@]1(C)CCC[N@@H+]1Cc1ccccc1)[C@H]1CCC[NH2+]1 ZINC000423067124 296374566 /nfs/dbraw/zinc/37/45/66/296374566.db2.gz YNKPJQDKDIJFAV-BHIYHBOVSA-N 2 0 301.478 2.771 20 0 DFADRP C[N@H+](Cc1ccccc1)[C@@H](CN[C@H]1CCC[NH2+]CC1)C1CC1 ZINC000423063737 296373891 /nfs/dbraw/zinc/37/38/91/296373891.db2.gz POBCBVKIFNWIOB-OALUTQOASA-N 2 0 301.478 2.629 20 0 DFADRP COCCC1(C[NH2+][C@@H]2CCOC[C@@H]2[C@H]2CCC[NH2+]2)CCCCC1 ZINC000423065565 296374113 /nfs/dbraw/zinc/37/41/13/296374113.db2.gz UUMXDYOZBTWOML-KZNAEPCWSA-N 2 0 324.509 2.720 20 0 DFADRP C[C@@H]1CC[NH2+]CC[C@H]1NC[C@H](C1CC1)[N@H+](C)Cc1ccccc1 ZINC000423066570 296374116 /nfs/dbraw/zinc/37/41/16/296374116.db2.gz XDXHBBQNLHIJDC-NSISKUIASA-N 2 0 315.505 2.875 20 0 DFADRP CCC(O)(CC)CC[NH2+][C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423074575 296375295 /nfs/dbraw/zinc/37/52/95/296375295.db2.gz UZYJSTNZRAYEON-QFBILLFUSA-N 2 0 318.461 2.773 20 0 DFADRP CCOC(=O)C1([C@H](C)[NH2+][C@H]2CCC23CCCC3)CC[NH2+]CC1 ZINC000423072681 296375369 /nfs/dbraw/zinc/37/53/69/296375369.db2.gz HNIJHUBOXKOEDY-GJZGRUSLSA-N 2 0 308.466 2.620 20 0 DFADRP CC(C)[C@H](C[NH2+][C@@H]1CCOC[C@H]1[C@@H](C)[NH3+])Cc1ccccc1 ZINC000423067453 296374679 /nfs/dbraw/zinc/37/46/79/296374679.db2.gz HCXLBZZGDJMHCP-XGXHKWSGSA-N 2 0 304.478 2.843 20 0 DFADRP CSC1(CNc2cc(N3CC[NH+](C)CC3)cc[nH+]2)CCC1 ZINC000602740941 399551495 /nfs/dbraw/zinc/55/14/95/399551495.db2.gz RUIUQOOFXHBVOS-UHFFFAOYSA-N 2 0 306.479 2.531 20 0 DFADRP O[C@@H]1CCC[C@]1(C[NH2+][C@H]1CCC[NH2+]CC1)Cc1ccc(F)cc1 ZINC000423072436 296374819 /nfs/dbraw/zinc/37/48/19/296374819.db2.gz HJEDLIOXXZWVDP-IPMKNSEASA-N 2 0 320.452 2.631 20 0 DFADRP C[C@H]([NH3+])C[C@H](C)[NH2+]C[C@@]1(Cc2ccc(F)cc2)CCC[C@H]1O ZINC000423071640 296374894 /nfs/dbraw/zinc/37/48/94/296374894.db2.gz GADHVDVQZNBWBX-ZZCKCESHSA-N 2 0 308.441 2.615 20 0 DFADRP c1ccc([C@@H]([NH2+]C2CCN([C@@H]3CCOC3)CC2)C2CCC2)nc1 ZINC000624105175 399554373 /nfs/dbraw/zinc/55/43/73/399554373.db2.gz FKWQJQHSJRNARO-MJGOQNOKSA-N 2 0 315.461 2.766 20 0 DFADRP Fc1ccc2c(c1)[C@@H]([NH2+][C@@H]1CCOC[C@H]1[C@@H]1CCC[NH2+]1)CCC2 ZINC000423087024 296376773 /nfs/dbraw/zinc/37/67/73/296376773.db2.gz OQAWZIMFDGUDTF-CADBVGFASA-N 2 0 318.436 2.950 20 0 DFADRP COC[C@H](CCC[NH3+])[NH2+][C@H](c1ccc(C)cc1)c1ccccn1 ZINC000423085592 296376782 /nfs/dbraw/zinc/37/67/82/296376782.db2.gz KWMMQCTWICVWRJ-PKOBYXMFSA-N 2 0 313.445 2.823 20 0 DFADRP C[C@@H](NC[C@H]1CC[N@H+](Cc2ccccc2)C1)[C@H]1CCCC[NH2+]1 ZINC000423089821 296377196 /nfs/dbraw/zinc/37/71/96/296377196.db2.gz WCWHXBCZNOWNRV-BHIYHBOVSA-N 2 0 301.478 2.629 20 0 DFADRP [NH3+]C1CCC([NH2+][C@H](CO)c2c(Cl)cccc2Cl)CC1 ZINC000423096246 296377970 /nfs/dbraw/zinc/37/79/70/296377970.db2.gz OFRQOMWTGCIHDL-SRHKJQAYSA-N 2 0 303.233 2.886 20 0 DFADRP CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)C1 ZINC000423094690 296377575 /nfs/dbraw/zinc/37/75/75/296377575.db2.gz KLUWVALDSRBXBS-ZHCJQAHYSA-N 2 0 308.466 2.619 20 0 DFADRP CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)C1 ZINC000423094689 296377583 /nfs/dbraw/zinc/37/75/83/296377583.db2.gz KLUWVALDSRBXBS-JSRQGNBESA-N 2 0 308.466 2.619 20 0 DFADRP CC1(c2ccccc2)CC([NH2+][C@@H]2CCOC[C@@H]2[C@H]2CCC[NH2+]2)C1 ZINC000423094411 296377677 /nfs/dbraw/zinc/37/76/77/296377677.db2.gz BRLKRMDRWQERKT-HWRPDCHHSA-N 2 0 314.473 2.853 20 0 DFADRP [NH3+]CC1CCC([NH2+]Cc2ccncc2OCC(F)(F)F)CC1 ZINC000423098365 296377783 /nfs/dbraw/zinc/37/77/83/296377783.db2.gz KQPCZQQJDMBMHI-UHFFFAOYSA-N 2 0 317.355 2.630 20 0 DFADRP C[C@@H]1CSC[C@@H]1[NH2+][C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423100895 296378101 /nfs/dbraw/zinc/37/81/01/296378101.db2.gz CCTFSVUYCNDVSW-UTXMOHQDSA-N 2 0 304.459 2.583 20 0 DFADRP CC(C)[C@@H](C(=O)NC[C@H]1CC[N@@H+](C(C)(C)C)C1)[NH+]1CCCCC1 ZINC000616994077 399557962 /nfs/dbraw/zinc/55/79/62/399557962.db2.gz UDZCWIUGYPZMCF-SJORKVTESA-N 2 0 323.525 2.734 20 0 DFADRP CO[C@@H]1C[C@H](c2ccccc2)CC[C@@H]1[NH2+][C@H](C)[C@H]1CC[NH2+]C1 ZINC000423101448 296378466 /nfs/dbraw/zinc/37/84/66/296378466.db2.gz CXZRHNGPMWLEQL-GYFISPQKSA-N 2 0 302.462 2.925 20 0 DFADRP FC(F)(F)COc1cccc(CC[NH2+][C@@H]2CCC[NH2+]CC2)c1 ZINC000423101958 296378516 /nfs/dbraw/zinc/37/85/16/296378516.db2.gz WRJZQNITYFGVQF-CQSZACIVSA-N 2 0 316.367 2.902 20 0 DFADRP CC(C)c1ccc(O[C@H](C)C[NH2+][C@@H]2CCOC[C@@H]2[C@H](C)[NH3+])cc1 ZINC000423102262 296378612 /nfs/dbraw/zinc/37/86/12/296378612.db2.gz DSRZYEILKMSELQ-WTLGNFPFSA-N 2 0 320.477 2.919 20 0 DFADRP C[C@H]([NH2+]C[C@@H]1CCCC[N@H+](C)C1)c1ccc2c(c1)OCCO2 ZINC000624119718 399558900 /nfs/dbraw/zinc/55/89/00/399558900.db2.gz HZKHECUYCYRDQE-GJZGRUSLSA-N 2 0 304.434 2.840 20 0 DFADRP FC(F)Oc1cc(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)ccn1 ZINC000423106155 296379044 /nfs/dbraw/zinc/37/90/44/296379044.db2.gz OKUQFAYAXZMBHG-MGPQQGTHSA-N 2 0 311.376 2.693 20 0 DFADRP COc1ccc(C[C@@H](C)[NH2+]C[C@@H]2CCCC[N@H+](C)C2)cc1OC ZINC000624119545 399559300 /nfs/dbraw/zinc/55/93/00/399559300.db2.gz DSWHZQHYTZPDTI-WBVHZDCISA-N 2 0 320.477 2.956 20 0 DFADRP C[C@@H]1COCC[C@@H]1C[NH2+][C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423109046 296379344 /nfs/dbraw/zinc/37/93/44/296379344.db2.gz NDIJWANNKBRDAJ-RRIFGTCXSA-N 2 0 316.445 2.505 20 0 DFADRP C[N@@H+]1CCCC[C@H](CN[C@@H](c2ccccc2)c2cncnc2)C1 ZINC000624122702 399559800 /nfs/dbraw/zinc/55/98/00/399559800.db2.gz ZAZRCPKRHKSNJQ-APWZRJJASA-N 2 0 310.445 2.888 20 0 DFADRP C[N@@H+]1CCCC[C@H](C[NH2+][C@H]2CCCN(Cc3ccccc3)C2)C1 ZINC000624121590 399559827 /nfs/dbraw/zinc/55/98/27/399559827.db2.gz YIKCDMBAHCWSBK-UXHICEINSA-N 2 0 315.505 2.973 20 0 DFADRP Cc1cc2cc(C[NH2+][C@@H]3CCOC[C@@H]3[C@@H]3CCC[NH2+]3)ccc2[nH]1 ZINC000423105828 296378946 /nfs/dbraw/zinc/37/89/46/296378946.db2.gz IXGIFBCQMSCIDO-NZSAHSFTSA-N 2 0 313.445 2.723 20 0 DFADRP C[C@H](CCCC[NH3+])[NH2+][C@H](Cn1ccccc1=O)c1ccccc1 ZINC000423107814 296379021 /nfs/dbraw/zinc/37/90/21/296379021.db2.gz FGRDLQHVOPYUEQ-SJLPKXTDSA-N 2 0 313.445 2.697 20 0 DFADRP C[C@](CO)(C[NH2+][C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1)c1ccccc1 ZINC000423110606 296379615 /nfs/dbraw/zinc/37/96/15/296379615.db2.gz PGZUZQCLLPYDMO-MTQWCTHYSA-N 2 0 316.489 2.837 20 0 DFADRP C[C@@H](CCC[NH3+])[NH2+]Cc1cc(F)c(F)cc1Br ZINC000423111240 296379717 /nfs/dbraw/zinc/37/97/17/296379717.db2.gz QJGOJQIXLIFGRJ-QMMMGPOBSA-N 2 0 307.182 2.944 20 0 DFADRP CCC[N@H+](C)[C@H](CN[C@@H](C)C1C[NH2+]C1)c1ccc(Cl)cc1 ZINC000423111777 296379753 /nfs/dbraw/zinc/37/97/53/296379753.db2.gz WNNZFXHTOBZMNC-SUMWQHHRSA-N 2 0 309.885 2.920 20 0 DFADRP C[C@H]([NH2+]C[C@H]1CCCC[N@H+](C)C1)c1ccc(-n2cncn2)cc1 ZINC000624120368 399561161 /nfs/dbraw/zinc/56/11/61/399561161.db2.gz XJSQJNSLRLFLSY-JKSUJKDBSA-N 2 0 313.449 2.650 20 0 DFADRP COCCCOc1ccc(C[NH2+][C@H]2CCCC[C@H]2C[NH3+])cc1 ZINC000423114061 296380094 /nfs/dbraw/zinc/38/00/94/296380094.db2.gz ZVGMRBHWJDFUHP-WMZOPIPTSA-N 2 0 306.450 2.709 20 0 DFADRP C[C@H]([NH3+])[C@@H]1COCC[C@H]1[NH2+]C1CC(c2cccc(Cl)c2)C1 ZINC000423113058 296380144 /nfs/dbraw/zinc/38/01/44/296380144.db2.gz YGHIFXGHUUQSSO-DYJSVTOUSA-N 2 0 308.853 2.928 20 0 DFADRP C[N@@H+]1CCC[C@H](NC(=O)c2cccc(Oc3ccncc3)c2)C1 ZINC000602767082 399562117 /nfs/dbraw/zinc/56/21/17/399562117.db2.gz GKHWYGSGVOSJKP-HNNXBMFYSA-N 2 0 311.385 2.698 20 0 DFADRP CO[C@H]1CCCC[C@@H]1[NH2+][C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423117448 296380416 /nfs/dbraw/zinc/38/04/16/296380416.db2.gz VOILQYITEMMRJQ-CAMMJAKZSA-N 2 0 316.445 2.790 20 0 DFADRP CCOCC(C)(C)C[NH2+][C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423120700 296380862 /nfs/dbraw/zinc/38/08/62/296380862.db2.gz HIUZVFIJGCOKFJ-VQIMIIECSA-N 2 0 318.461 2.895 20 0 DFADRP C[C@H]([NH3+])[C@@H]1COCC[C@H]1[NH2+][C@@H]1CCc2sc(Cl)cc21 ZINC000423123863 296381503 /nfs/dbraw/zinc/38/15/03/296381503.db2.gz NPFYSERIUKQYSD-OHBODLIOSA-N 2 0 300.855 2.731 20 0 DFADRP COC[C@@H](CCC[NH3+])[NH2+][C@H]1C[C@@H](Oc2ccccc2)C1(C)C ZINC000423126198 296381596 /nfs/dbraw/zinc/38/15/96/296381596.db2.gz OJEBCXZWHVPGFV-HYVNUMGLSA-N 2 0 306.450 2.576 20 0 DFADRP CC(C)c1nnc(CC[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)s1 ZINC000423128535 296381775 /nfs/dbraw/zinc/38/17/75/296381775.db2.gz KVWNLMCPFYJGOS-MCIONIFRSA-N 2 0 308.495 2.714 20 0 DFADRP c1ccc2c(c1)CC1(CCOCC1)[C@H]2[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000423128043 296381796 /nfs/dbraw/zinc/38/17/96/296381796.db2.gz UTKRXQKQMGAARK-RZRMAFQFSA-N 2 0 312.457 2.953 20 0 DFADRP CCN1C[C@H](C)[C@H]([NH2+]Cc2ccccc2C[N@H+](C)C(C)C)C1 ZINC000347715802 285143032 /nfs/dbraw/zinc/14/30/32/285143032.db2.gz GWPUFAGAHZKALX-QFBILLFUSA-N 2 0 303.494 2.957 20 0 DFADRP COc1ccc(CC[NH2+][C@@H]2CCC[C@H]2C[NH3+])c(Cl)c1OC ZINC000423133584 296382522 /nfs/dbraw/zinc/38/25/22/296382522.db2.gz KZKOPUKTUNUZSU-QWHCGFSZSA-N 2 0 312.841 2.617 20 0 DFADRP [NH3+][C@@H]1CCCCC[C@H]1[NH2+]CCc1cc(C(F)(F)F)ccn1 ZINC000423133507 296382526 /nfs/dbraw/zinc/38/25/26/296382526.db2.gz KVLNATDAOBYMBY-ZIAGYGMSSA-N 2 0 301.356 2.893 20 0 DFADRP Cc1cccc([C@H](C)[NH2+]Cc2cccnc2N2CC[NH+](C)CC2)c1 ZINC000158534229 197281644 /nfs/dbraw/zinc/28/16/44/197281644.db2.gz MTJPZZWLMYROGI-KRWDZBQOSA-N 2 0 324.472 2.993 20 0 DFADRP CC(C)Oc1ccc([C@H](CN[C@@H]2C[NH2+]CC[C@@H]2C)[NH+](C)C)cc1 ZINC000423134102 296382485 /nfs/dbraw/zinc/38/24/85/296382485.db2.gz WLTAFLXVQUNFID-IPELMVKDSA-N 2 0 319.493 2.664 20 0 DFADRP COc1ncccc1CC[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1 ZINC000423141808 296383833 /nfs/dbraw/zinc/38/38/33/296383833.db2.gz RWEZYPVAMYOUPQ-IXDOHACOSA-N 2 0 303.450 2.533 20 0 DFADRP COc1ccc(CC[NH2+][C@@H]2CCC[NH2+]CC2)c(Cl)c1OC ZINC000423140656 296383977 /nfs/dbraw/zinc/38/39/77/296383977.db2.gz ZAFPMYQQSCRLDM-CYBMUJFWSA-N 2 0 312.841 2.631 20 0 DFADRP C[C@@]1(C[NH2+][C@@H]2CCOC[C@H]2[C@H]2CCC[NH2+]2)C[C@H]1c1ccccc1 ZINC000423139006 296383431 /nfs/dbraw/zinc/38/34/31/296383431.db2.gz UUSFCPAMEGEEDC-OMZCGLGVSA-N 2 0 314.473 2.927 20 0 DFADRP CSc1ccc([C@H](C[NH2+][C@H](C)[C@H]2CC[NH2+]C2)N(C)C)cc1 ZINC000423147636 296384980 /nfs/dbraw/zinc/38/49/80/296384980.db2.gz SLWGFOFHFIALKI-KMFMINBZSA-N 2 0 307.507 2.599 20 0 DFADRP CSc1ccc([C@H](C[NH2+][C@H]2CCC[C@@H]2C[NH3+])N(C)C)cc1 ZINC000423144012 296384413 /nfs/dbraw/zinc/38/44/13/296384413.db2.gz FXCGRYHEYWIXPB-PVAVHDDUSA-N 2 0 307.507 2.728 20 0 DFADRP CC[C@H](COCC(F)(F)F)[NH2+][C@@H](C)c1ccc(C[NH3+])nc1C ZINC000423145760 296384658 /nfs/dbraw/zinc/38/46/58/296384658.db2.gz MIJWRZPSZQPUTG-CMPLNLGQSA-N 2 0 319.371 2.857 20 0 DFADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]C[C@@H]1CCO[C@H](C(C)C)C1 ZINC000423156034 296386124 /nfs/dbraw/zinc/38/61/24/296386124.db2.gz RORCIZWZKDTCFA-JOQOYGCGSA-N 2 0 305.466 2.951 20 0 DFADRP COc1ncc(C[NH2+][C@@H](C)c2ccc(C[NH3+])nc2C)cc1Cl ZINC000423155969 296386173 /nfs/dbraw/zinc/38/61/73/296386173.db2.gz KIBDQNDBBJECCX-JTQLQIEISA-N 2 0 320.824 2.757 20 0 DFADRP CO[C@H](C[NH2+][C@H](C)c1ccc(C[NH3+])nc1C)Cc1ccccc1 ZINC000423157023 296386222 /nfs/dbraw/zinc/38/62/22/296386222.db2.gz MEZOUAHLFJKKDC-KDOFPFPSSA-N 2 0 313.445 2.757 20 0 DFADRP [NH3+]CC1CCC([NH2+]CCOc2ccc(F)c(Cl)c2)CC1 ZINC000423155397 296386288 /nfs/dbraw/zinc/38/62/88/296386288.db2.gz JIRCFIMZFJFODW-UHFFFAOYSA-N 2 0 300.805 2.965 20 0 DFADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]Cc1c(F)cccc1-n1cccn1 ZINC000423153838 296385758 /nfs/dbraw/zinc/38/57/58/296385758.db2.gz IEUPHYBHBMXHEE-BBRMVZONSA-N 2 0 302.397 2.619 20 0 DFADRP CC(C)(O)C(C)(C)C[NH2+][C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423162469 296386838 /nfs/dbraw/zinc/38/68/38/296386838.db2.gz PIWPIVNCEWIGOT-KXBFYZLASA-N 2 0 318.461 2.629 20 0 DFADRP C[N@H+](CCCC[NH2+][C@H]1CCN[C@H](c2ccccc2)C1)C1CC1 ZINC000423161882 296386876 /nfs/dbraw/zinc/38/68/76/296386876.db2.gz JXEGSQCZSBURJI-HKUYNNGSSA-N 2 0 301.478 2.944 20 0 DFADRP C[N@H+](CCC(=O)NC[C@@H]1CC[NH+]1C(C)(C)C)C1CCCCC1 ZINC000617010191 399570372 /nfs/dbraw/zinc/57/03/72/399570372.db2.gz KNLWIRVJPRLZLP-INIZCTEOSA-N 2 0 309.498 2.630 20 0 DFADRP CCOC(=O)C1([C@H](C)[NH2+][C@H](CC)C2CCCC2)CC[NH2+]CC1 ZINC000423166276 296387184 /nfs/dbraw/zinc/38/71/84/296387184.db2.gz VEGBBTOFASLAGV-GOEBONIOSA-N 2 0 310.482 2.866 20 0 DFADRP Cc1cccnc1CC[NH2+][C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423159305 296386544 /nfs/dbraw/zinc/38/65/44/296386544.db2.gz XUJAOGZNRFPHSO-AZUAARDMSA-N 2 0 323.440 2.778 20 0 DFADRP COCC[C@H](C)C[NH2+][C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423172861 296387704 /nfs/dbraw/zinc/38/77/04/296387704.db2.gz VSFCNHIBZLVTPU-QILLFSRXSA-N 2 0 304.434 2.505 20 0 DFADRP COc1cccc2c1C[C@@H]([NH2+][C@@H](C)c1ccc(C[NH3+])nc1C)C2 ZINC000423166794 296387405 /nfs/dbraw/zinc/38/74/05/296387405.db2.gz DHEHONSEBMXAHJ-BBRMVZONSA-N 2 0 311.429 2.675 20 0 DFADRP OC[C@H](C[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1)c1ccc(F)cc1 ZINC000423174024 296388243 /nfs/dbraw/zinc/38/82/43/296388243.db2.gz AZWKKBHKXSRZKD-DSLXNQLJSA-N 2 0 320.452 2.802 20 0 DFADRP Brc1cccc2c1C[C@@H]([NH2+]C1CC[NH2+]CC1)CC2 ZINC000423177396 296388479 /nfs/dbraw/zinc/38/84/79/296388479.db2.gz DUEXIWRWYAGWGM-ZDUSSCGKSA-N 2 0 309.251 2.648 20 0 DFADRP Cc1nc(-c2cccnc2)sc1[C@H](C)[NH2+]C1CC[NH2+]CC1 ZINC000423176709 296388492 /nfs/dbraw/zinc/38/84/92/296388492.db2.gz CSXHZJZVLFUFHK-NSHDSACASA-N 2 0 302.447 2.916 20 0 DFADRP C[C@H]([NH2+]CCCN1CC[NH2+]CC1)c1ccc(C(C)(C)C)cc1 ZINC000423180447 296388862 /nfs/dbraw/zinc/38/88/62/296388862.db2.gz NSXZHKOHDXUHQL-INIZCTEOSA-N 2 0 303.494 2.930 20 0 DFADRP CC(C)NC(=O)Nc1ccc([C@@H](C)[NH2+]C2CC[NH2+]CC2)cc1 ZINC000423186899 296389951 /nfs/dbraw/zinc/38/99/51/296389951.db2.gz OOJZIHUTZMPWHZ-CYBMUJFWSA-N 2 0 304.438 2.619 20 0 DFADRP c1ccc(C[N@@H+]2CC[C@H](N[C@@H]3CCC[NH2+]C3)[C@H]3CCC[C@@H]32)cc1 ZINC000423188316 296389959 /nfs/dbraw/zinc/38/99/59/296389959.db2.gz LODFVJHFLRMHNH-ZRNYENFQSA-N 3 0 313.489 2.771 20 0 DFADRP CC[N@H+](C)Cc1cccc(C[NH2+][C@@H](C)CCn2cccn2)c1 ZINC000157738312 197211832 /nfs/dbraw/zinc/21/18/32/197211832.db2.gz YRUFKCGIXLBTFH-INIZCTEOSA-N 2 0 300.450 2.903 20 0 DFADRP C[C@H]([NH2+]CCCN1CC[NH2+]CC1)c1cccc(C(F)(F)F)c1 ZINC000423182090 296389405 /nfs/dbraw/zinc/38/94/05/296389405.db2.gz PSOJWFSFGDYXOR-ZDUSSCGKSA-N 2 0 315.383 2.651 20 0 DFADRP C[C@H]([NH2+]CCCN1CC[NH2+]CC1)C1CCC(C(F)(F)F)CC1 ZINC000423181908 296389421 /nfs/dbraw/zinc/38/94/21/296389421.db2.gz JVIIKUJMBQLSFW-NFOMZHRRSA-N 2 0 321.431 2.629 20 0 DFADRP CC(C)[C@@H](CSc1ccccc1)[NH2+]CCCN1CC[NH2+]CC1 ZINC000423184253 296389735 /nfs/dbraw/zinc/38/97/35/296389735.db2.gz LYZZAFYYYPZPTR-GOSISDBHSA-N 2 0 321.534 2.688 20 0 DFADRP c1ccc(C[C@@H]([NH2+]CCCN2CC[NH2+]CC2)c2ccccc2)cc1 ZINC000423186144 296389830 /nfs/dbraw/zinc/38/98/30/296389830.db2.gz WMSYVLCZHNKRSV-OAQYLSRUSA-N 2 0 323.484 2.855 20 0 DFADRP [NH3+]CCC[NH2+][C@@H]1CCSc2ccc(Br)cc21 ZINC000423188935 296390192 /nfs/dbraw/zinc/39/01/92/296390192.db2.gz ZVQKHAOUHUGHAL-LLVKDONJSA-N 2 0 301.253 2.924 20 0 DFADRP CC[C@H]([NH2+][C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)[C@H](O)C(C)C ZINC000423191947 296390523 /nfs/dbraw/zinc/39/05/23/296390523.db2.gz UFXSPQGGGSSSBT-ISARSNTHSA-N 2 0 318.461 2.627 20 0 DFADRP Cc1ccc([C@H]([NH2+]CCCN2CC[NH2+]CC2)C2CCC2)cc1 ZINC000423194384 296390919 /nfs/dbraw/zinc/39/09/19/296390919.db2.gz XXIZVIVGNSBORL-LJQANCHMSA-N 2 0 301.478 2.721 20 0 DFADRP C[C@@H]([NH2+]CCCN1CC[NH2+]CC1)c1ccc(-c2ccccc2)o1 ZINC000423187516 296390084 /nfs/dbraw/zinc/39/00/84/296390084.db2.gz YBEDSMAIFDXLQD-MRXNPFEDSA-N 2 0 313.445 2.893 20 0 DFADRP COc1ccc2c(c1)C[C@H]([NH2+]CC1([NH3+])CCCCCC1)CO2 ZINC000423197705 296391589 /nfs/dbraw/zinc/39/15/89/296391589.db2.gz ARVBUFWOCJMLPY-HNNXBMFYSA-N 2 0 304.434 2.640 20 0 DFADRP C[C@H]([NH2+]CC1([NH3+])CCCCCC1)c1ccc(-n2cncn2)cc1 ZINC000423204560 296392139 /nfs/dbraw/zinc/39/21/39/296392139.db2.gz USTNNGVVWOBYSJ-HNNXBMFYSA-N 2 0 313.449 2.970 20 0 DFADRP Cc1c([C@@H](C)[NH2+]C2CCC([NH3+])CC2)nnn1-c1ccc(C)cc1 ZINC000423209957 296392821 /nfs/dbraw/zinc/39/28/21/296392821.db2.gz FQXMZFQCNBFINE-IUDNXUCKSA-N 2 0 313.449 2.805 20 0 DFADRP Fc1ccccc1[C@H]([NH2+]CCN1CC[NH2+]CC1)C1CCCC1 ZINC000423200473 296391893 /nfs/dbraw/zinc/39/18/93/296391893.db2.gz FTWLVSHAYHMMBD-GOSISDBHSA-N 2 0 305.441 2.552 20 0 DFADRP COc1ccc(C[C@H](C)[NH2+][C@H](C)[C@@H]2CCC[NH2+]C2)c(C)c1OC ZINC000423212351 296393165 /nfs/dbraw/zinc/39/31/65/296393165.db2.gz IFOYKFCNFATPGB-YSVLISHTSA-N 2 0 320.477 2.921 20 0 DFADRP C[C@@H]([NH2+]C1CCC([NH3+])CC1)c1cccc(OCC[NH+](C)C)c1 ZINC000423217280 296393499 /nfs/dbraw/zinc/39/34/99/296393499.db2.gz PWCRBTKISQGJDY-ODIFPOPNSA-N 3 0 305.466 2.548 20 0 DFADRP CC(C)[C@H]([NH2+]C[C@@H]1CCC[NH2+]C1)c1ccc2[nH]c(=O)oc2c1 ZINC000423219774 296393669 /nfs/dbraw/zinc/39/36/69/296393669.db2.gz XMHSQIAWALOSCL-WBMJQRKESA-N 2 0 303.406 2.820 20 0 DFADRP C[C@H]([NH3+])CCN[C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000423228361 296394834 /nfs/dbraw/zinc/39/48/34/296394834.db2.gz ZGPODXPLBZQUMT-WZGPROSRSA-N 2 0 301.478 2.614 20 0 DFADRP CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC000347805854 285182863 /nfs/dbraw/zinc/18/28/63/285182863.db2.gz CWHUDYNKEPVGKB-HOTGVXAUSA-N 2 0 311.514 2.589 20 0 DFADRP CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC000347805853 285183081 /nfs/dbraw/zinc/18/30/81/285183081.db2.gz CWHUDYNKEPVGKB-CVEARBPZSA-N 2 0 311.514 2.589 20 0 DFADRP CCN(CC)C(=O)Nc1ccc([C@H](C)[NH2+]CC[C@@H](C)[NH3+])cc1 ZINC000423226122 296394305 /nfs/dbraw/zinc/39/43/05/296394305.db2.gz PMSCPBOFSGMRHL-KGLIPLIRSA-N 2 0 306.454 2.948 20 0 DFADRP C[C@@H]([NH3+])CC[NH2+][C@@H]1CCCOc2c(Br)cccc21 ZINC000423224115 296394314 /nfs/dbraw/zinc/39/43/14/296394314.db2.gz IGGJSROPAWRDLB-ZWNOBZJWSA-N 2 0 313.239 2.990 20 0 DFADRP CCC[N@H+](C)CC(=O)N[C@H](C[NH+](C)Cc1ccccc1)C(C)C ZINC000347807027 285183660 /nfs/dbraw/zinc/18/36/60/285183660.db2.gz NBOMHBCZOWUPRK-GOSISDBHSA-N 2 0 319.493 2.601 20 0 DFADRP C[C@H]([NH3+])CC[NH2+][C@H]1CCc2c1ccc(F)c2Br ZINC000423226654 296394387 /nfs/dbraw/zinc/39/43/87/296394387.db2.gz RPHHNRIRMMNINA-UFBFGSQYSA-N 2 0 301.203 2.902 20 0 DFADRP CO[C@H](CN1CCO[C@@H](CCC[NH+](C)C)C1)c1ccc(F)cc1 ZINC000625563562 399587890 /nfs/dbraw/zinc/58/78/90/399587890.db2.gz SZCHENSCTFIJBK-ZWKOTPCHSA-N 2 0 324.440 2.556 20 0 DFADRP C[NH+](C)CCC[C@H]1CN(Cc2cc(O)ccc2Cl)CCO1 ZINC000625563190 399588150 /nfs/dbraw/zinc/58/81/50/399588150.db2.gz OVKSIBLRPLPWIV-HNNXBMFYSA-N 2 0 312.841 2.588 20 0 DFADRP Fc1ccc([C@H](C[C@H]2CCOC2)[NH2+]CC[C@@H]2CC[NH2+]C2)cc1 ZINC000423241099 296395898 /nfs/dbraw/zinc/39/58/98/296395898.db2.gz CZOUJTAKVZVOOR-DAYGRLMNSA-N 2 0 306.425 2.883 20 0 DFADRP CC[C@@H]1[NH2+]CC[C@H]1N[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000629387542 399589725 /nfs/dbraw/zinc/58/97/25/399589725.db2.gz GBFDPBVQMKSKAL-OQIJWPOYSA-N 2 0 301.478 2.770 20 0 DFADRP c1c2c(cc3c1OCCC[C@H]3[NH2+]CC[C@@H]1CC[NH2+]C1)CCC2 ZINC000423251014 296396728 /nfs/dbraw/zinc/39/67/28/296396728.db2.gz RKKKAQYWNCJFAB-KBXCAEBGSA-N 2 0 300.446 2.978 20 0 DFADRP Brc1ccc2c(c1)CC[C@@H]([NH2+]CC[C@H]1CC[NH2+]C1)C2 ZINC000423254719 296397025 /nfs/dbraw/zinc/39/70/25/296397025.db2.gz ZGUURGZFDDAELT-MLGOLLRUSA-N 2 0 323.278 2.896 20 0 DFADRP COc1cc(F)c([C@H](C)[NH2+]CC[C@@H]2CCC[NH2+]C2)cc1OC ZINC000423258938 296397622 /nfs/dbraw/zinc/39/76/22/296397622.db2.gz NDSZCCIJRNXTGN-STQMWFEESA-N 2 0 310.413 2.883 20 0 DFADRP C[C@H]([NH2+]CC[C@H]1CCC[NH2+]C1)c1ncc(Br)s1 ZINC000423260959 296398039 /nfs/dbraw/zinc/39/80/39/296398039.db2.gz QYUXHJPWRQRGGL-VHSXEESVSA-N 2 0 318.284 2.946 20 0 DFADRP Cc1ccc(C[NH+]2CCCC2)cc1NC(=O)C1CC[NH+](C)CC1 ZINC000156807211 197142147 /nfs/dbraw/zinc/14/21/47/197142147.db2.gz POLLNXFUKGGVCH-UHFFFAOYSA-N 2 0 315.461 2.871 20 0 DFADRP CC[C@@H](CCc1ccc(Br)cc1)[NH2+]CC1C[NH2+]C1 ZINC000423305314 296402626 /nfs/dbraw/zinc/40/26/26/296402626.db2.gz QOQYMKLNYNDKDY-HNNXBMFYSA-N 2 0 311.267 2.969 20 0 DFADRP CC(C)C[NH+]1CCN(C(=O)C(C)(C)[C@@H]([NH3+])c2ccccc2)CC1 ZINC000423307737 296402630 /nfs/dbraw/zinc/40/26/30/296402630.db2.gz NQGFOEXYAHBORZ-KRWDZBQOSA-N 2 0 317.477 2.513 20 0 DFADRP C[C@@H]([NH3+])c1ccc(C(=O)NC[C@H](c2ccccc2)[NH+](C)C)cc1 ZINC000423305015 296402643 /nfs/dbraw/zinc/40/26/43/296402643.db2.gz ZYCIFNDUVJUHET-RDTXWAMCSA-N 2 0 311.429 2.739 20 0 DFADRP CC[C@H](CCc1ccc(Br)cc1)[NH2+]CC1C[NH2+]C1 ZINC000423305315 296402645 /nfs/dbraw/zinc/40/26/45/296402645.db2.gz QOQYMKLNYNDKDY-OAHLLOKOSA-N 2 0 311.267 2.969 20 0 DFADRP COc1ccc2c(c1)[C@@H]([NH2+]CC1(C)CC[NH2+]CC1)CCCO2 ZINC000423322538 296403978 /nfs/dbraw/zinc/40/39/78/296403978.db2.gz HKMUEOCRQAVMTC-INIZCTEOSA-N 2 0 304.434 2.888 20 0 DFADRP C[C@@H]([NH2+]C[C@]1(C)CCC[NH2+]C1)c1cccc(OCC[NH+](C)C)c1 ZINC000423323025 296404381 /nfs/dbraw/zinc/40/43/81/296404381.db2.gz HXMPDYWSISQFGB-VQIMIIECSA-N 3 0 319.493 2.667 20 0 DFADRP COC[C@H]([NH2+]CC1=CC[NH2+]CC1)c1cccc(C(F)(F)F)c1 ZINC000423329495 296405142 /nfs/dbraw/zinc/40/51/42/296405142.db2.gz BENGYMQOUWNDMM-HNNXBMFYSA-N 2 0 314.351 2.902 20 0 DFADRP O[C@H]1C[C@@H](C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@H]3CCC[C@H]32)C1 ZINC000624216897 399600620 /nfs/dbraw/zinc/60/06/20/399600620.db2.gz UPBGDUFBYCPOKQ-YHDCXSKOSA-N 2 0 314.473 2.790 20 0 DFADRP [NH3+]CCCC[NH2+][C@H]1CCc2c1c(Br)ccc2F ZINC000423324004 296404503 /nfs/dbraw/zinc/40/45/03/296404503.db2.gz JVVAGFHQADIANM-LBPRGKRZSA-N 2 0 301.203 2.904 20 0 DFADRP Cc1ccncc1CCC[NH+]1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC000347874658 285219589 /nfs/dbraw/zinc/21/95/89/285219589.db2.gz JQHZPUFQSQFJSM-GOSISDBHSA-N 2 0 301.478 2.986 20 0 DFADRP CCN(CC)C(=O)Nc1ccc([C@H](C)[NH2+]CCCC[NH3+])cc1 ZINC000423335839 296405716 /nfs/dbraw/zinc/40/57/16/296405716.db2.gz PZDKDWSQPUYMJA-AWEZNQCLSA-N 2 0 306.454 2.950 20 0 DFADRP CC(C)[C@H]([NH2+]CC1=CC[NH2+]CC1)c1ccc2[nH]c(=O)oc2c1 ZINC000423343874 296406574 /nfs/dbraw/zinc/40/65/74/296406574.db2.gz MFPRFOPKIXMKHN-INIZCTEOSA-N 2 0 301.390 2.740 20 0 DFADRP Fc1ccc2c(c1Br)CC[C@@H]2[NH2+]C[C@H]1CC[NH2+]C1 ZINC000423349258 296407359 /nfs/dbraw/zinc/40/73/59/296407359.db2.gz VFTKVDZSDINVFL-ZANVPECISA-N 2 0 313.214 2.775 20 0 DFADRP C[C@H]([NH2+][C@H]1CO[C@@H](C2CC2)C1)c1ccc(OCC[NH+](C)C)cc1 ZINC000624221891 399602488 /nfs/dbraw/zinc/60/24/88/399602488.db2.gz KLFVKCVWCWNNOA-POZUXBRTSA-N 2 0 318.461 2.845 20 0 DFADRP Brc1ccc2c(c1)CC[C@H]([NH2+]C[C@H]1CC[NH2+]C1)C2 ZINC000423347131 296406925 /nfs/dbraw/zinc/40/69/25/296406925.db2.gz QSQIQPCKGVFFBY-NHYWBVRUSA-N 2 0 309.251 2.506 20 0 DFADRP Brc1ccc2c(c1)CC[C@@H]([NH2+]C[C@H]1CC[NH2+]C1)C2 ZINC000423347132 296407138 /nfs/dbraw/zinc/40/71/38/296407138.db2.gz QSQIQPCKGVFFBY-XHDPSFHLSA-N 2 0 309.251 2.506 20 0 DFADRP Fc1ccc([C@H](C[C@@H]2CCCO2)[NH2+]CC2=CC[NH2+]CC2)cc1 ZINC000423357317 296408098 /nfs/dbraw/zinc/40/80/98/296408098.db2.gz SFISSELZIMPNAN-ROUUACIJSA-N 2 0 304.409 2.945 20 0 DFADRP C[C@H]([NH2+][C@H]1CC[NH2+][C@H](C)C1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000423380262 296410763 /nfs/dbraw/zinc/41/07/63/296410763.db2.gz NNJOCNFULVWCCL-IGCXYCKISA-N 2 0 316.449 2.762 20 0 DFADRP CO[C@@H]1C[C@@H](C[NH+]2CCCC2)N(c2cc[nH+]c(C)c2Cl)C1 ZINC000347895848 285230190 /nfs/dbraw/zinc/23/01/90/285230190.db2.gz GKNCPXKKSALVSL-UONOGXRCSA-N 2 0 309.841 2.733 20 0 DFADRP CCOc1ccc([C@H](C)[NH2+]CC2(COC)CC[NH2+]CC2)cc1 ZINC000423385449 296411475 /nfs/dbraw/zinc/41/14/75/296411475.db2.gz IPNBIBBIILBUGK-HNNXBMFYSA-N 2 0 306.450 2.752 20 0 DFADRP C[C@H]1CCC[C@@H](C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)C1 ZINC000120363958 195152584 /nfs/dbraw/zinc/15/25/84/195152584.db2.gz MMECTKBBUMVKJB-DLBZAZTESA-N 2 0 311.514 2.545 20 0 DFADRP CCCC[C@H](C)[C@@H](C)[NH2+]C[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000423398712 296412408 /nfs/dbraw/zinc/41/24/08/296412408.db2.gz UEQJVOROZDTHSW-MJBXVCDLSA-N 2 0 309.420 2.627 20 0 DFADRP COc1cc2[nH+]ccc(N3CCC[C@H]([NH+](C)C)C3)c2cc1OC ZINC000298135829 533179593 /nfs/dbraw/zinc/17/95/93/533179593.db2.gz COVQDSPOMBAWAL-ZDUSSCGKSA-N 2 0 315.417 2.782 20 0 DFADRP COCC1(C[NH2+][C@H](Cc2cccc(C)c2)C2CC2)CC[NH2+]CC1 ZINC000423404547 296413138 /nfs/dbraw/zinc/41/31/38/296413138.db2.gz IVXKPEXKSZQAES-LJQANCHMSA-N 2 0 316.489 2.922 20 0 DFADRP CCCCO[C@@H]1C[C@H]([NH2+]CC2(COC)CC[NH2+]CC2)C1(C)C ZINC000423413743 296414321 /nfs/dbraw/zinc/41/43/21/296414321.db2.gz ZXBIKNCDCYNNTL-JKSUJKDBSA-N 2 0 312.498 2.576 20 0 DFADRP C[C@H](CC(=O)N(C)c1ccccc1)[NH2+]C[C@H]1CC[C@H](C[NH3+])CC1 ZINC000423419393 296414678 /nfs/dbraw/zinc/41/46/78/296414678.db2.gz IPYDOHNJURWRQK-BRWVUGGUSA-N 2 0 317.477 2.783 20 0 DFADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)CC1(SC)CCC1 ZINC000356313423 285250019 /nfs/dbraw/zinc/25/00/19/285250019.db2.gz YRQVZSNXHVYBDA-MRXNPFEDSA-N 2 0 313.555 2.620 20 0 DFADRP C[NH+]1CCC2(CC[N@@H+]([C@@H](C(=O)OC(C)(C)C)C3CC3)C2)CC1 ZINC000602877955 399612195 /nfs/dbraw/zinc/61/21/95/399612195.db2.gz MMIUQXLPGSKCAB-OAHLLOKOSA-N 2 0 308.466 2.524 20 0 DFADRP COc1ccc([C@@H]2CCCC[C@@H]2[NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)cc1F ZINC000423434146 296416545 /nfs/dbraw/zinc/41/65/45/296416545.db2.gz NXNWVRLVXZAUKN-RUKPJNHUSA-N 2 0 304.409 2.668 20 0 DFADRP O[C@@H]1C[NH2+]C[C@@H]1C[NH2+][C@@H]1CCC[C@@H](c2cccc(Cl)c2)C1 ZINC000423440752 296417006 /nfs/dbraw/zinc/41/70/06/296417006.db2.gz VZSKEQDZHWDKGM-MUIFIZLQSA-N 2 0 308.853 2.536 20 0 DFADRP CC[C@H](C)NC(=O)[C@H](C)[NH2+]Cc1ccccc1C[NH+](CC)CC ZINC000073737132 542464712 /nfs/dbraw/zinc/46/47/12/542464712.db2.gz IMTPUWZJZBWPCP-HOTGVXAUSA-N 2 0 319.493 2.921 20 0 DFADRP CCOC(=O)c1oc2c(c1C)[C@H]([NH2+][C@@H](C)CCC[NH3+])CCC2 ZINC000423455270 296417866 /nfs/dbraw/zinc/41/78/66/296417866.db2.gz MHQQUNGHLSJRGU-WCQYABFASA-N 2 0 308.422 2.859 20 0 DFADRP [NH3+][C@@H]1CCC[C@H](C[NH2+][C@@H](c2ncc[nH]2)c2ccc(F)cc2)C1 ZINC000423476082 296419853 /nfs/dbraw/zinc/41/98/53/296419853.db2.gz QJTLOBNKXSDPCJ-APHBMKBZSA-N 2 0 302.397 2.745 20 0 DFADRP Cn1ccnc1[C@H]([NH2+]C[C@H]1CCC[C@H]([NH3+])C1)c1cccc(F)c1 ZINC000423470556 296419004 /nfs/dbraw/zinc/41/90/04/296419004.db2.gz LHJSCLXBHVGAHS-RRQGHBQHSA-N 2 0 316.424 2.756 20 0 DFADRP COCCC[C@H](C)[NH2+]C[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC000423479223 296420258 /nfs/dbraw/zinc/42/02/58/296420258.db2.gz USGWLTOIXZPMAQ-QILLFSRXSA-N 2 0 308.441 2.924 20 0 DFADRP CCO[C@@H]1C[C@H]([NH2+]CCC[C@@H]2CCC[NH2+]2)[C@@H]1Oc1ccccc1 ZINC000423482629 296420723 /nfs/dbraw/zinc/42/07/23/296420723.db2.gz PKZFFEKRRHHOJF-KANFNMMFSA-N 2 0 318.461 2.733 20 0 DFADRP C[C@H]([NH2+][C@H]1CC[C@H](C[NH3+])C1)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000423489980 296421681 /nfs/dbraw/zinc/42/16/81/296421681.db2.gz HCBUNJFLUXGLMI-OBJOEFQTSA-N 2 0 301.434 2.694 20 0 DFADRP Fc1ccc(N2CCC([NH2+]CCC3=CC[NH2+]CC3)CC2)c(F)c1 ZINC000423538384 296427791 /nfs/dbraw/zinc/42/77/91/296427791.db2.gz MSDZOMRGUNGQGS-UHFFFAOYSA-N 2 0 321.415 2.833 20 0 DFADRP COCC[C@H](Cc1cccc(F)c1)[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000423540016 296427835 /nfs/dbraw/zinc/42/78/35/296427835.db2.gz JEYBTGZJMPOVRN-RNIPGJKVSA-N 2 0 320.452 2.751 20 0 DFADRP COc1ccc(CN(C)C[C@@H]2CC[N@H+](C)C2)cc1OC(F)F ZINC000120659468 195210557 /nfs/dbraw/zinc/21/05/57/195210557.db2.gz PJYKKHIAAQCCTK-CYBMUJFWSA-N 2 0 314.376 2.680 20 0 DFADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1ccc[nH]c1=O ZINC000624257721 399618005 /nfs/dbraw/zinc/61/80/05/399618005.db2.gz NXWCKUXPJAKCBR-CRAIPNDOSA-N 2 0 311.429 2.787 20 0 DFADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1ccc(C)s1 ZINC000299722470 285281019 /nfs/dbraw/zinc/28/10/19/285281019.db2.gz NPRIXZURIKUAAN-HNNXBMFYSA-N 2 0 323.506 2.545 20 0 DFADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@H](O)c2ccc(Cl)c(F)c2)[C@@H](C)C1 ZINC000271576721 209027290 /nfs/dbraw/zinc/02/72/90/209027290.db2.gz WMILDRSYZXHZBE-UVBJJODRSA-N 2 0 314.832 2.832 20 0 DFADRP C[C@H]([NH2+][C@@H](C)c1cccc(OCC[NH+](C)C)c1)c1cn[nH]c1 ZINC000271601930 209048312 /nfs/dbraw/zinc/04/83/12/209048312.db2.gz ZQAQKQRIEHQHKQ-KBPBESRZSA-N 2 0 302.422 2.762 20 0 DFADRP Cc1ccc(C[NH+]2CCC(C[NH+]3CCN(C)CC3)CC2)c(C)c1 ZINC000289448665 220981844 /nfs/dbraw/zinc/98/18/44/220981844.db2.gz MWZRAWNVSRJPEU-UHFFFAOYSA-N 2 0 315.505 2.763 20 0 DFADRP O[C@@H](C[NH+]1CCC(C[NH+]2CCCC2)CC1)c1ccc(F)cc1 ZINC000193078319 285300331 /nfs/dbraw/zinc/30/03/31/285300331.db2.gz LCSOXZHLNXJTFG-SFHVURJKSA-N 2 0 306.425 2.667 20 0 DFADRP CN1CCC[C@H]1C[NH2+]C1CCN(c2ccc(F)cc2F)CC1 ZINC000624268828 399622007 /nfs/dbraw/zinc/62/20/07/399622007.db2.gz CUCJDYBFKJOZRZ-HNNXBMFYSA-N 2 0 309.404 2.617 20 0 DFADRP NC(=O)[C@H]1CCC[N@H+](CCC[NH2+]CCC2CCCCCC2)C1 ZINC000348019019 285301441 /nfs/dbraw/zinc/30/14/41/285301441.db2.gz OXNMZMHMBICEON-KRWDZBQOSA-N 2 0 309.498 2.524 20 0 DFADRP CC1(C)CCC(C)(C)[N@H+](CC(=O)NC2CC[NH+](C3CC3)CC2)C1 ZINC000625723525 399622856 /nfs/dbraw/zinc/62/28/56/399622856.db2.gz RQYMSPOCHKEGAP-UHFFFAOYSA-N 2 0 321.509 2.630 20 0 DFADRP CCC[C@H](C(=O)Nc1cc(C[NH3+])cc(C(F)(F)F)c1)[NH+](C)C ZINC000423630806 296435150 /nfs/dbraw/zinc/43/51/50/296435150.db2.gz ZBPCTPFOQWHPRG-CYBMUJFWSA-N 2 0 317.355 2.833 20 0 DFADRP C[C@@H]([NH3+])c1ccc(C(=O)Nc2ccc3c(c2F)CC[NH2+]C3)cc1 ZINC000423651944 296436430 /nfs/dbraw/zinc/43/64/30/296436430.db2.gz MUPIWPBCEKOXIN-LLVKDONJSA-N 2 0 313.376 2.743 20 0 DFADRP CC[NH+](CC)CCOc1ccc(C[NH2+]Cc2[nH]ncc2C)cc1 ZINC000289867709 221279459 /nfs/dbraw/zinc/27/94/59/221279459.db2.gz LOKNUWOYFPKCRC-UHFFFAOYSA-N 2 0 316.449 2.729 20 0 DFADRP CC[C@@H]([NH2+]CCOCC[NH2+]C)c1ccc(Br)cc1 ZINC000629529333 399636165 /nfs/dbraw/zinc/63/61/65/399636165.db2.gz ZRZXCFYTAYJNGJ-CQSZACIVSA-N 2 0 315.255 2.726 20 0 DFADRP C[NH2+]CCOCC[NH2+][C@H](C)c1ccc(OC)c2ccccc21 ZINC000629528482 399636912 /nfs/dbraw/zinc/63/69/12/399636912.db2.gz ABPOFGHWHNCNBL-CQSZACIVSA-N 2 0 302.418 2.735 20 0 DFADRP C[NH2+]CCOCC[NH2+][C@@H](C)c1csc(-c2ccccc2)n1 ZINC000629531729 399637826 /nfs/dbraw/zinc/63/78/26/399637826.db2.gz WBWWGVLVLQUFLG-ZDUSSCGKSA-N 2 0 305.447 2.697 20 0 DFADRP C[NH2+]CCOCC[NH2+][C@H]1CCCOc2cc3c(cc21)CCCC3 ZINC000629529458 399637906 /nfs/dbraw/zinc/63/79/06/399637906.db2.gz CZEGTUFHHHXJHB-SFHVURJKSA-N 2 0 318.461 2.605 20 0 DFADRP Brc1cnccc1C[N@@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000629533235 399638066 /nfs/dbraw/zinc/63/80/66/399638066.db2.gz OMFWLDQZKRQPNW-STQMWFEESA-N 2 0 324.266 2.666 20 0 DFADRP Brc1cnccc1C[N@@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000629533232 399638073 /nfs/dbraw/zinc/63/80/73/399638073.db2.gz OMFWLDQZKRQPNW-CHWSQXEVSA-N 2 0 324.266 2.666 20 0 DFADRP Cc1cc([C@H]([NH2+]CCOCCC[NH3+])c2cccnc2)ccc1F ZINC000629537250 399640427 /nfs/dbraw/zinc/64/04/27/399640427.db2.gz JMHXZSZGRGCFIT-SFHVURJKSA-N 2 0 317.408 2.574 20 0 DFADRP C[C@@H]([NH2+]CCOCCC[NH3+])c1ccc(Br)s1 ZINC000629540231 399640603 /nfs/dbraw/zinc/64/06/03/399640603.db2.gz ODHGZPLBIZGTBR-SECBINFHSA-N 2 0 307.257 2.527 20 0 DFADRP C[C@@H]1CC[C@H](N[C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C[NH2+]1 ZINC000629543367 399641320 /nfs/dbraw/zinc/64/13/20/399641320.db2.gz ZPIJLMAAJAMMDS-JUSBFGHESA-N 2 0 313.489 2.912 20 0 DFADRP COc1ccc([C@@H](C)[NH2+]CCOCCC[NH3+])c2ccccc12 ZINC000629541950 399641863 /nfs/dbraw/zinc/64/18/63/399641863.db2.gz UWALQCNBFSYNHD-CQSZACIVSA-N 2 0 302.418 2.864 20 0 DFADRP O[C@H](C[NH2+][C@H]1CC[C@H](c2cccc(F)c2)C1)C[NH+]1CCCC1 ZINC000629578932 399654057 /nfs/dbraw/zinc/65/40/57/399654057.db2.gz NUELLEBABQKYQU-RYQLBKOJSA-N 2 0 306.425 2.508 20 0 DFADRP CSc1ccccc1C[NH+]1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000629591937 399657922 /nfs/dbraw/zinc/65/79/22/399657922.db2.gz VDTYLQJYSJAXCU-QGZVFWFLSA-N 2 0 320.502 2.999 20 0 DFADRP C/C=C/C[C@H]1CCC[N@H+](C[C@H](O)[C@@H]([NH3+])Cc2ccccc2)C1 ZINC000629595241 399658680 /nfs/dbraw/zinc/65/86/80/399658680.db2.gz LLHQKNCPLQVKMA-USRGSRNISA-N 2 0 302.462 2.596 20 0 DFADRP OCc1ccc(F)c(C[N@@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)c1 ZINC000629544623 399642756 /nfs/dbraw/zinc/64/27/56/399642756.db2.gz JRGUAWRWQXMUHO-MRXNPFEDSA-N 2 0 306.425 2.530 20 0 DFADRP C[C@@H]1C[C@@H]1C[NH+]1CCC(c2cc(C3CC[NH2+]CC3)[nH]n2)CC1 ZINC000629547325 399643987 /nfs/dbraw/zinc/64/39/87/399643987.db2.gz MJARIHGHPOVKNA-CZUORRHYSA-N 2 0 302.466 2.712 20 0 DFADRP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CCN(c2ccc(Cl)cc2F)C1 ZINC000629547011 399644064 /nfs/dbraw/zinc/64/40/64/399644064.db2.gz RNXMENKFQLJPSE-LNSITVRQSA-N 2 0 311.832 2.775 20 0 DFADRP C[C@H]([NH3+])[C@H]1COCC[C@@H]1[NH2+]Cc1csc(C(F)(F)F)c1 ZINC000629551294 399645305 /nfs/dbraw/zinc/64/53/05/399645305.db2.gz TUCWTMCEKYSKEG-GDPRMGEGSA-N 2 0 308.369 2.609 20 0 DFADRP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1[NH2+]Cc1csc(C(F)(F)F)c1 ZINC000629551453 399645313 /nfs/dbraw/zinc/64/53/13/399645313.db2.gz TUCWTMCEKYSKEG-LSJOCFKGSA-N 2 0 308.369 2.609 20 0 DFADRP CN(CC[N@@H+]1CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C1)c1ccccc1 ZINC000629561363 399650261 /nfs/dbraw/zinc/65/02/61/399650261.db2.gz HVZBFAQCEHDLIQ-ZFWWWQNUSA-N 2 0 315.383 2.582 20 0 DFADRP C[NH2+]CCOCCN(C)Cc1csc(-c2ccc(C)cc2)n1 ZINC000629570594 399651536 /nfs/dbraw/zinc/65/15/36/399651536.db2.gz DREBWIHYEHFKPX-UHFFFAOYSA-N 2 0 319.474 2.786 20 0 DFADRP C[N@H+](CCOCC[NH3+])Cc1ccc(-c2ccccc2F)s1 ZINC000629665528 399681688 /nfs/dbraw/zinc/68/16/88/399681688.db2.gz WEAWYHABTHFMIB-UHFFFAOYSA-N 2 0 308.422 2.961 20 0 DFADRP Cc1noc([C@@H](C)N2CC[C@H](CNc3cccc(C)[nH+]3)C2)n1 ZINC000624484671 399685851 /nfs/dbraw/zinc/68/58/51/399685851.db2.gz RXZYPBQMWRBHNU-TZMCWYRMSA-N 2 0 301.394 2.576 20 0 DFADRP C[C@H](C[NH2+]CCOCCC[NH3+])c1ccc(C(F)(F)F)cc1 ZINC000629678838 399687322 /nfs/dbraw/zinc/68/73/22/399687322.db2.gz LQHDMXMPNXRLIL-GFCCVEGCSA-N 2 0 304.356 2.764 20 0 DFADRP Cc1ccc(C[C@H](C[NH3+])CO)cc1-c1cccc(C[NH+](C)C)c1 ZINC000629706232 399696284 /nfs/dbraw/zinc/69/62/84/399696284.db2.gz GWFCUAODXYTASD-GOSISDBHSA-N 2 0 312.457 2.833 20 0 DFADRP C[NH2+]CCOCC[N@H+](C)CCCc1c(F)cccc1Cl ZINC000629654383 399676292 /nfs/dbraw/zinc/67/62/92/399676292.db2.gz QIMDKTYZZWPAFG-UHFFFAOYSA-N 2 0 302.821 2.580 20 0 DFADRP C[N@H+](Cc1cccc(-c2ccc(N3CC[NH2+]CC3)nc2)c1)C1CC1 ZINC000629709345 399697263 /nfs/dbraw/zinc/69/72/63/399697263.db2.gz ZARXNHXFHCQBCJ-UHFFFAOYSA-N 2 0 322.456 2.752 20 0 DFADRP C[NH2+][C@H](CO)c1cccc(-c2ccc(C[NH+](C)C)c(F)c2)c1 ZINC000629708814 399697386 /nfs/dbraw/zinc/69/73/86/399697386.db2.gz LQZHTTBIHYUEOB-GOSISDBHSA-N 2 0 302.393 2.807 20 0 DFADRP C[NH+](C)CCc1ccc(-c2cccc(C[C@H](C[NH3+])CO)c2)cc1 ZINC000629732246 399706235 /nfs/dbraw/zinc/70/62/35/399706235.db2.gz SUWOGSASBNFXIX-GOSISDBHSA-N 2 0 312.457 2.567 20 0 DFADRP C[NH+](C)CCc1ccc(-c2cccc(C[C@@H](C[NH3+])CO)c2)cc1 ZINC000629732249 399706832 /nfs/dbraw/zinc/70/68/32/399706832.db2.gz SUWOGSASBNFXIX-SFHVURJKSA-N 2 0 312.457 2.567 20 0 DFADRP C[C@H]1CC(F)(F)CCN1C[C@H](O)C[N@H+](C)Cc1ccccc1 ZINC000625979725 399708310 /nfs/dbraw/zinc/70/83/10/399708310.db2.gz SQMPBXNRFTWNSR-GOEBONIOSA-N 2 0 312.404 2.599 20 0 DFADRP C[NH+](C)Cc1ccc(F)c(-c2cccc(C[C@@H](C[NH3+])CO)c2)c1 ZINC000629736404 399709153 /nfs/dbraw/zinc/70/91/53/399709153.db2.gz GBAWTHIEVLFAMV-INIZCTEOSA-N 2 0 316.420 2.664 20 0 DFADRP CC[NH+]1CCN(CCCC[NH2+][C@H](C)c2cnc(C)s2)CC1 ZINC000090402652 542535701 /nfs/dbraw/zinc/53/57/01/542535701.db2.gz SJFPHRSVRQLZAY-CQSZACIVSA-N 2 0 310.511 2.520 20 0 DFADRP COC[C@@H]([NH2+][C@H](C)C1CC[NH+](C)CC1)c1ccc(F)c(F)c1 ZINC000091413750 542540670 /nfs/dbraw/zinc/54/06/70/542540670.db2.gz UDDREUAGWCCQHG-SJKOYZFVSA-N 2 0 312.404 2.972 20 0 DFADRP OC[C@@H]1CC[C@H]([NH2+][C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]23)C1 ZINC000295039858 224396935 /nfs/dbraw/zinc/39/69/35/224396935.db2.gz MNVXLULSBYGWQB-SWBPCFCJSA-N 2 0 314.473 2.648 20 0 DFADRP CC[C@H]1CC[C@H]1[NH2+]CCN1CC[NH+](Cc2ccccc2)CC1 ZINC000348089271 285339482 /nfs/dbraw/zinc/33/94/82/285339482.db2.gz SRUMWBCUBRMMAM-RBUKOAKNSA-N 2 0 301.478 2.582 20 0 DFADRP C[C@@H]([NH2+]C[C@@H]1CCCN1Cc1ccccc1)C1CC[NH+](C)CC1 ZINC000119134287 542570288 /nfs/dbraw/zinc/57/02/88/542570288.db2.gz OLOBADVFSSEBDA-XLIONFOSSA-N 2 0 315.505 2.971 20 0 DFADRP C[NH+](C)Cc1cccc(C[NH2+][C@H]2CCO[C@@H](C(F)(F)F)C2)c1 ZINC000348098344 285346923 /nfs/dbraw/zinc/34/69/23/285346923.db2.gz ARUNVVHFLZOQEK-LSDHHAIUSA-N 2 0 316.367 2.948 20 0 DFADRP C[C@H](C[NH2+][C@@H](C)c1cccc(Cl)c1)CN1CC[NH+](C)CC1 ZINC000120940939 195268518 /nfs/dbraw/zinc/26/85/18/195268518.db2.gz UXNAQNRCFSQYQQ-CABCVRRESA-N 2 0 309.885 2.874 20 0 DFADRP CC[C@@H]1CC[C@@H]1[NH2+][C@@H]1CCN(Cc2ccccc2)C[C@H]1CO ZINC000348110502 285355698 /nfs/dbraw/zinc/35/56/98/285355698.db2.gz MYFMDAVFEAGKLB-YDZRNGNQSA-N 2 0 302.462 2.648 20 0 DFADRP CC(C)[N@@H+]1CCC[C@H](C[NH2+][C@@H]2CCO[C@@H](C(F)(F)F)C2)C1 ZINC000348115503 285359126 /nfs/dbraw/zinc/35/91/26/285359126.db2.gz HVPPBCLFNLSXPJ-MGPQQGTHSA-N 2 0 308.388 2.806 20 0 DFADRP C[NH+](C)C[C@H](NC(=O)CC[C@@H]1CCC[NH2+]1)c1ccc(Cl)cc1 ZINC000423768787 296445474 /nfs/dbraw/zinc/44/54/74/296445474.db2.gz FRNULFFAIMRSIO-HOTGVXAUSA-N 2 0 323.868 2.591 20 0 DFADRP C[C@@H]1[NH2+]CCC[C@@H]1C(=O)Nc1cccc(CC[NH+]2CCCC2)c1 ZINC000423771106 296445712 /nfs/dbraw/zinc/44/57/12/296445712.db2.gz IRKAZFUHTLVZFP-YJBOKZPZSA-N 2 0 315.461 2.652 20 0 DFADRP C[C@@H](C[NH2+][C@@H]1CCCc2ccccc21)CN1CC[NH+](C)CC1 ZINC000121029258 195282865 /nfs/dbraw/zinc/28/28/65/195282865.db2.gz RPYLZZCBYFPALG-QFBILLFUSA-N 2 0 301.478 2.537 20 0 DFADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+][C@@H]2CCc3cc(F)ccc32)CC1 ZINC000121108626 195294341 /nfs/dbraw/zinc/29/43/41/195294341.db2.gz IVULUAXWMVGTAN-HNAYVOBHSA-N 2 0 319.468 2.676 20 0 DFADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+][C@@H]2CCc3ccccc32)CC1 ZINC000121167734 195302044 /nfs/dbraw/zinc/30/20/44/195302044.db2.gz XLWQJTJKZSTMOB-QFBILLFUSA-N 2 0 301.478 2.537 20 0 DFADRP CC[N@@H+]1CCC[C@@H](C[NH2+]C2CCN(c3nc(C)cs3)CC2)C1 ZINC000121812415 195352957 /nfs/dbraw/zinc/35/29/57/195352957.db2.gz LDRKAWQEKBABQI-HNNXBMFYSA-N 2 0 322.522 2.742 20 0 DFADRP O[C@H]1c2ccccc2C[C@@H]1[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000182792170 285372694 /nfs/dbraw/zinc/37/26/94/285372694.db2.gz NLFRKBZUGZCLMC-WDSOQIARSA-N 2 0 300.446 2.595 20 0 DFADRP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@@H](c1ccc(F)cc1)C1CC1 ZINC000271621845 209068571 /nfs/dbraw/zinc/06/85/71/209068571.db2.gz BTXJMMGXMSGWIH-RDTXWAMCSA-N 2 0 305.441 2.502 20 0 DFADRP CCC[C@@H](CC)[NH2+]Cc1ccc(C(=O)NCC[NH+](C)C)cc1 ZINC000125908644 195794388 /nfs/dbraw/zinc/79/43/88/195794388.db2.gz RPXJHKANKRKUMJ-QGZVFWFLSA-N 2 0 305.466 2.646 20 0 DFADRP CC[N@H+](Cc1ccc(C[NH+](C)C)cc1)[C@@H](C)C(=O)N(C)C(C)C ZINC000626062299 399741513 /nfs/dbraw/zinc/74/15/13/399741513.db2.gz OFLUYWUKZSOKJB-INIZCTEOSA-N 2 0 319.493 2.825 20 0 DFADRP CC[N@H+](Cc1ccc(C[NH+](C)C)cc1)[C@@H](C)C(=O)NC(C)(C)C ZINC000626062635 399741903 /nfs/dbraw/zinc/74/19/03/399741903.db2.gz ZSTMGQSIXKHGID-HNNXBMFYSA-N 2 0 319.493 2.873 20 0 DFADRP C[C@@H]([NH2+]C1CC1)C(=O)Nc1cccc(C[NH+]2CCCCC2)c1 ZINC000294684924 533336382 /nfs/dbraw/zinc/33/63/82/533336382.db2.gz AFCWDNDCMGHODJ-CQSZACIVSA-N 2 0 301.434 2.752 20 0 DFADRP CCC[NH+](CCC)CCCC(=O)N[C@H](C)C1CC[NH+](C)CC1 ZINC000603336763 399747808 /nfs/dbraw/zinc/74/78/08/399747808.db2.gz ORBUHYMPPSBASC-MRXNPFEDSA-N 2 0 311.514 2.735 20 0 DFADRP C[NH+](C)CCN1CCC([NH2+][C@H]2CCc3c2cc(F)cc3F)CC1 ZINC000121031539 542581706 /nfs/dbraw/zinc/58/17/06/542581706.db2.gz TWNZUBIHPLEVRT-SFHVURJKSA-N 2 0 323.431 2.568 20 0 DFADRP C[C@H]([NH2+]Cc1ccc(F)c(C[NH+](C)C)c1)C1CC[NH+](C)CC1 ZINC000120982037 542581802 /nfs/dbraw/zinc/58/18/02/542581802.db2.gz PHXPBLMVFWBWJS-AWEZNQCLSA-N 3 0 307.457 2.707 20 0 DFADRP C[C@H]([NH2+][C@H]1CC[C@H](CO)CC1)c1cccc(OCC[NH+](C)C)c1 ZINC000121379596 542584599 /nfs/dbraw/zinc/58/45/99/542584599.db2.gz BLLOVNKCNNAGKD-XYJFISCASA-N 2 0 320.477 2.829 20 0 DFADRP C[C@H](O)C[C@@H](C[NH2+][C@@H](C)C1CC[NH+](C)CC1)c1ccccc1 ZINC000121623992 542585843 /nfs/dbraw/zinc/58/58/43/542585843.db2.gz DTYULDOZSBOGOZ-BXWFABGCSA-N 2 0 304.478 2.861 20 0 DFADRP c1ccc([C@@H]2C[C@H]2C[NH2+]C2CC[NH+](C[C@@H]3CCOC3)CC2)cc1 ZINC000348234350 285438602 /nfs/dbraw/zinc/43/86/02/285438602.db2.gz AAJWDBUKHONKOE-QRFRQXIXSA-N 2 0 314.473 2.881 20 0 DFADRP CCCc1ccc(C[NH2+]CC(C)(C)N2CC[NH+](C)CC2)s1 ZINC000621328486 399755338 /nfs/dbraw/zinc/75/53/38/399755338.db2.gz UWDVQAQVJUAVNJ-UHFFFAOYSA-N 2 0 309.523 2.816 20 0 DFADRP C[NH+]1CCN(C(C)(C)C[NH2+]Cc2cc(Cl)ccc2F)CC1 ZINC000125180015 542600576 /nfs/dbraw/zinc/60/05/76/542600576.db2.gz JZZMOCQCIYFEQV-UHFFFAOYSA-N 2 0 313.848 2.595 20 0 DFADRP CCC[NH+]1CCC([NH2+]C[C@@H](C)Oc2cccc(OC)c2)CC1 ZINC000125028318 542599466 /nfs/dbraw/zinc/59/94/66/542599466.db2.gz GFVGGDAMQAYUJA-OAHLLOKOSA-N 2 0 306.450 2.927 20 0 DFADRP [NH3+][C@H](CCC(=O)N1CCC[C@@H]2C[NH2+]CC[C@H]21)CC1CCCCC1 ZINC000632865578 399771618 /nfs/dbraw/zinc/77/16/18/399771618.db2.gz VHPQATCITVLTLS-KZNAEPCWSA-N 2 0 321.509 2.665 20 0 DFADRP C[C@H]([NH2+]Cc1cccc(Cn2cccn2)c1)C1CC[NH+](C)CC1 ZINC000129500778 542624768 /nfs/dbraw/zinc/62/47/68/542624768.db2.gz VHIRRZVVVOOQBZ-INIZCTEOSA-N 2 0 312.461 2.751 20 0 DFADRP CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)C[N@H+](C)C1CCC1 ZINC000629956973 399769213 /nfs/dbraw/zinc/76/92/13/399769213.db2.gz OSOFEKFYAWAZTD-UHFFFAOYSA-N 2 0 317.477 2.581 20 0 DFADRP C[C@H]([NH2+]CCc1cnn(-c2ccccc2)c1)C1CC[NH+](C)CC1 ZINC000130436305 542630562 /nfs/dbraw/zinc/63/05/62/542630562.db2.gz RGKYJYSQNMKQBA-INIZCTEOSA-N 2 0 312.461 2.735 20 0 DFADRP CCC[NH+](CCC)CCCC(=O)N1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000423977557 296470912 /nfs/dbraw/zinc/47/09/12/296470912.db2.gz PWPSECDOCNEEQT-MSOLQXFVSA-N 2 0 323.525 2.879 20 0 DFADRP C(C[N@@H+]1CCC[C@@H](CN2CCOCC2)C1)OC1CCCCCC1 ZINC000158111052 542711625 /nfs/dbraw/zinc/71/16/25/542711625.db2.gz JNHOCSSERZLQLI-GOSISDBHSA-N 2 0 324.509 2.770 20 0 DFADRP c1ccc(CCOCCC[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000166234939 542749822 /nfs/dbraw/zinc/74/98/22/542749822.db2.gz ZKGXFBCVNYCIGR-RBUKOAKNSA-N 2 0 302.462 2.852 20 0 DFADRP CCC[NH+]1CCC([NH2+]C2CCN(C(=O)C(CC)CC)CC2)CC1 ZINC000166023632 542749995 /nfs/dbraw/zinc/74/99/95/542749995.db2.gz FQOJZTCVEXFIIE-UHFFFAOYSA-N 2 0 323.525 2.878 20 0 DFADRP c1sc(N2CCCC2)nc1CC[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000166637060 542750970 /nfs/dbraw/zinc/75/09/70/542750970.db2.gz HWWUUINHZCMLOK-GDBMZVCRSA-N 2 0 320.506 2.502 20 0 DFADRP COc1ccc(CCC[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1OC ZINC000166325780 542751024 /nfs/dbraw/zinc/75/10/24/542751024.db2.gz LIZDMCSWEQLGCI-DLBZAZTESA-N 2 0 318.461 2.853 20 0 DFADRP Cc1ccc([C@H](CN[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)[NH+]2CCCC2)o1 ZINC000166435919 542751636 /nfs/dbraw/zinc/75/16/36/542751636.db2.gz XBCXBJWYHXWZIL-KURKYZTESA-N 2 0 317.477 2.941 20 0 DFADRP CCC[C@H]([NH3+])C(=O)NCC1([NH2+][C@@H](C)c2ccccc2)CCCC1 ZINC000168662022 542754135 /nfs/dbraw/zinc/75/41/35/542754135.db2.gz ILQWOMWFCIDBRR-RDJZCZTQSA-N 2 0 317.477 2.894 20 0 DFADRP C[NH2+]C[C@@H](C)C(=O)NCC1([NH2+][C@H](C)c2ccccc2)CCCC1 ZINC000168664638 542754279 /nfs/dbraw/zinc/75/42/79/542754279.db2.gz GGGNOIMKYATRHE-HZPDHXFCSA-N 2 0 317.477 2.622 20 0 DFADRP C[NH+](C)CC1CCN(C(=O)CC[C@H]([NH3+])CC2CCCCC2)CC1 ZINC000424127875 296486611 /nfs/dbraw/zinc/48/66/11/296486611.db2.gz DMPGSURUMBQLCN-SFHVURJKSA-N 2 0 323.525 2.865 20 0 DFADRP CCC[C@H]1C[NH2+]CCN1C(=O)CC[C@@H]([NH3+])CC1CCCCC1 ZINC000424158614 296489331 /nfs/dbraw/zinc/48/93/31/296489331.db2.gz UBHOFAQCAXWNIY-SJORKVTESA-N 2 0 309.498 2.665 20 0 DFADRP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@@H]1CCSc2c(F)cccc21 ZINC000177968469 542774357 /nfs/dbraw/zinc/77/43/57/542774357.db2.gz HWGTYAUASRFTIM-CZUORRHYSA-N 2 0 323.481 2.588 20 0 DFADRP CCOC1CC[NH+](CC(C)C[NH+]2CCC(OCC)CC2)CC1 ZINC000603823462 399805351 /nfs/dbraw/zinc/80/53/51/399805351.db2.gz DMVQIORYPXBBAQ-UHFFFAOYSA-N 2 0 312.498 2.624 20 0 DFADRP C[NH+]1CCN(c2cccc(Cl)c2C[NH2+][C@H]2CC23CC3)CC1 ZINC000424180979 296491143 /nfs/dbraw/zinc/49/11/43/296491143.db2.gz AEVYXOHXCLGXQD-INIZCTEOSA-N 2 0 305.853 2.734 20 0 DFADRP [NH3+]C[C@H](NC(=O)CC[C@@H]([NH3+])CC1CCCCC1)C1CCCC1 ZINC000424204250 296493134 /nfs/dbraw/zinc/49/31/34/296493134.db2.gz VBJWALCGZGIMMB-SJORKVTESA-N 2 0 309.498 2.698 20 0 DFADRP C[C@@H]1C[C@H](C)N(C(=O)CC[C@H]([NH3+])CC2CCCCC2)C[C@@H]1C[NH3+] ZINC000424201803 296492680 /nfs/dbraw/zinc/49/26/80/296492680.db2.gz OWJFTIQPJSGRMA-FZCLSBEQSA-N 2 0 323.525 2.896 20 0 DFADRP CC[NH+](CC)Cc1ccccc1C[NH2+]C1CC(CC(=O)OC)C1 ZINC000424253841 296495963 /nfs/dbraw/zinc/49/59/63/296495963.db2.gz GJNYAQZZJHLLSL-UHFFFAOYSA-N 2 0 318.461 2.960 20 0 DFADRP Cc1ccc(C[NH2+]CC(C)(C)N2CC[NH+](C)CC2)cc1Cl ZINC000234332497 542894310 /nfs/dbraw/zinc/89/43/10/542894310.db2.gz HTYTXDQWQRLXKL-UHFFFAOYSA-N 2 0 309.885 2.764 20 0 DFADRP CC[NH+](CC)Cc1ccccc1CNC(=O)c1ccc(C[NH3+])o1 ZINC000236909707 542899171 /nfs/dbraw/zinc/89/91/71/542899171.db2.gz AOCDTKSBPXFQDX-UHFFFAOYSA-N 2 0 315.417 2.510 20 0 DFADRP C[N@@H+]1CCC[C@H](CNC(=O)CC2([NH3+])CCC2)[C@@H]1c1cccs1 ZINC000237123364 542900992 /nfs/dbraw/zinc/90/09/92/542900992.db2.gz OUCZWOIKBNKDKJ-CZUORRHYSA-N 2 0 321.490 2.519 20 0 DFADRP C[NH2+]Cc1cccc(NC(=O)C2(c3ccccc3)CC[NH2+]CC2)c1 ZINC000237248929 542901657 /nfs/dbraw/zinc/90/16/57/542901657.db2.gz GZUYMJDWDBYRSP-UHFFFAOYSA-N 2 0 323.440 2.666 20 0 DFADRP CC[C@@H]([NH2+]C/C=C/C[NH2+][C@@H](CC)[C@H]1CCCO1)[C@@H]1CCCO1 ZINC000248624994 542936837 /nfs/dbraw/zinc/93/68/37/542936837.db2.gz URVHUAIKUBUHJF-LSNRLGPVSA-N 2 0 310.482 2.637 20 0 DFADRP [NH3+][C@@H]1CCC[C@H]1CC(=O)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000261870123 542953524 /nfs/dbraw/zinc/95/35/24/542953524.db2.gz XSWGZXHYERMXOE-FGTMMUONSA-N 2 0 321.509 2.619 20 0 DFADRP CC[N@@H+]1CC[C@@H](C[NH2+][C@@H]2CCc3cc(OC)c(OC)cc32)C1 ZINC000280146971 542987011 /nfs/dbraw/zinc/98/70/11/542987011.db2.gz PZRDBPIOYLCVKJ-XJKSGUPXSA-N 2 0 304.434 2.623 20 0 DFADRP Cc1cc(C[NH3+])cc(NC(=O)N[C@H](C)C(C)(C)C[NH+](C)C)c1 ZINC000424426478 296508971 /nfs/dbraw/zinc/50/89/71/296508971.db2.gz ACNCHYHTOLQKNC-CYBMUJFWSA-N 2 0 306.454 2.552 20 0 DFADRP CC[N@@H+]1CC[C@H]([NH2+]CCc2cccc(C(F)(F)F)n2)[C@@H](C)C1 ZINC000293774013 543022112 /nfs/dbraw/zinc/02/21/12/543022112.db2.gz SKJKDWJGPQGKJM-JSGCOSHPSA-N 2 0 315.383 2.963 20 0 DFADRP C[C@H]([NH2+]C1CCN(Cc2ccccc2)CC1)C1CC[NH+](C)CC1 ZINC000302864595 543049013 /nfs/dbraw/zinc/04/90/13/543049013.db2.gz LYXPWDCHKZKWDN-KRWDZBQOSA-N 2 0 315.505 2.971 20 0 DFADRP C[C@H]([NH2+][C@@H]1CCN(Cc2ccccc2)[C@@H]1C)C1CC[NH+](C)CC1 ZINC000309905964 543066937 /nfs/dbraw/zinc/06/69/37/543066937.db2.gz QKJMWQNEEPHRMA-SQGPQFPESA-N 2 0 315.505 2.969 20 0 DFADRP COc1ccccc1N1CC[NH+](CCCC2CC[NH2+]CC2)CC1 ZINC000321056191 543083770 /nfs/dbraw/zinc/08/37/70/543083770.db2.gz XAIWUWYLAPQCFC-UHFFFAOYSA-N 2 0 317.477 2.597 20 0 DFADRP CC(C)C[C@H](C[NH3+])CC(=O)Nc1ccc(OCC[NH+](C)C)cc1 ZINC000321734392 543086640 /nfs/dbraw/zinc/08/66/40/543086640.db2.gz YJGSXHHOXMCOBL-HNNXBMFYSA-N 2 0 321.465 2.577 20 0 DFADRP C[NH+](C)CCCN(CCC[NH+](C)C)Cc1c(F)cccc1F ZINC000348889761 285713389 /nfs/dbraw/zinc/71/33/89/285713389.db2.gz CRLFNWUUJAPZFC-UHFFFAOYSA-N 2 0 313.436 2.670 20 0 DFADRP C[C@@H]1CCCC[N@@H+]1CCC(=O)N1CCC([NH+]2CCCCC2)CC1 ZINC000339252696 543142956 /nfs/dbraw/zinc/14/29/56/543142956.db2.gz HNHWWWLECGNZCV-QGZVFWFLSA-N 2 0 321.509 2.728 20 0 DFADRP C[C@@H]1CCCC[N@@H+]1CCC(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C ZINC000339286157 543143744 /nfs/dbraw/zinc/14/37/44/543143744.db2.gz KRVVZIYXVOIBSH-CVEARBPZSA-N 2 0 311.514 2.734 20 0 DFADRP C[C@H](C[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1)N1CCc2ccccc2C1 ZINC000339072325 543139694 /nfs/dbraw/zinc/13/96/94/543139694.db2.gz WKAFWRKEDBBEJF-UXPWSPDFSA-N 2 0 313.489 2.650 20 0 DFADRP CC(C)[C@@H](CN[C@@H]1CC[N@@H+]2CCC[C@H]2C1)[NH+]1CCC(C)CC1 ZINC000339074882 543140681 /nfs/dbraw/zinc/14/06/81/543140681.db2.gz MLSCMVWWBVZJAD-CEXWTWQISA-N 2 0 307.526 2.959 20 0 DFADRP CC[NH+](C[C@@H]1CCCO1)[C@@H](C)CC[N@@H+](CC)C[C@H]1CCCO1 ZINC000343606526 543168286 /nfs/dbraw/zinc/16/82/86/543168286.db2.gz XLNKJEYRXOCXPH-KSZLIROESA-N 2 0 312.498 2.767 20 0 DFADRP OC1CC[NH+](Cc2ccc(C[NH2+][C@H]3CC[C@@H]3C3CC3)cc2)CC1 ZINC000348128951 543183452 /nfs/dbraw/zinc/18/34/52/543183452.db2.gz WRFBOBPNQDYJHR-UXHICEINSA-N 2 0 314.473 2.922 20 0 DFADRP OC[C@@H]1CCC[N@@H+]1Cc1ccccc1C[NH2+][C@H]1CC[C@H]1C1CC1 ZINC000348386953 543185279 /nfs/dbraw/zinc/18/52/79/543185279.db2.gz XSDSOVRKKQPZPV-UFYCRDLUSA-N 2 0 314.473 2.922 20 0 DFADRP C[NH+](C)CCOCC[NH2+]Cc1ccc(Oc2ccccc2)o1 ZINC000349216779 285807968 /nfs/dbraw/zinc/80/79/68/285807968.db2.gz LFVGWFGOFMIAIK-UHFFFAOYSA-N 2 0 304.390 2.740 20 0 DFADRP C[C@H]([NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccc2[nH]c(=O)[nH]c2c1 ZINC000378903934 543296783 /nfs/dbraw/zinc/29/67/83/543296783.db2.gz YDHJRXOGGUEBHV-UBHSHLNASA-N 2 0 300.406 2.546 20 0 DFADRP c1ccc(C[N@H+]2CCC[C@@H](C[NH2+]CC[C@H]3CCOC3)C2)cc1 ZINC000400611531 543311654 /nfs/dbraw/zinc/31/16/54/543311654.db2.gz LXOUZURBZBSLGI-OALUTQOASA-N 2 0 302.462 2.915 20 0 DFADRP CC(C)(CO)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000390901135 543307595 /nfs/dbraw/zinc/30/75/95/543307595.db2.gz HTUUGROONGHJSX-AYHJJNSGSA-N 2 0 302.462 2.790 20 0 DFADRP C[N@@H+]1CCC[C@@H]1CN[C@H]1CC[NH+](Cc2ccccc2)CC1(C)C ZINC000390915882 543308206 /nfs/dbraw/zinc/30/82/06/543308206.db2.gz UHTRNXWMQAKWJW-MOPGFXCFSA-N 2 0 315.505 2.971 20 0 DFADRP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)C(C)(C)O ZINC000390929506 543308260 /nfs/dbraw/zinc/30/82/60/543308260.db2.gz ZNQXFHSFUUJSIR-MIGBEJBISA-N 2 0 302.462 2.931 20 0 DFADRP CCC[C@H](C)NC(=O)[C@H]1CCC[N@H+](CCC[NH+]2CCCCC2)C1 ZINC000125053330 145205501 /nfs/dbraw/zinc/20/55/01/145205501.db2.gz FDKWQEODLBPGFT-ROUUACIJSA-N 2 0 323.525 2.879 20 0 DFADRP CCC[C@@H](C)NC(=O)[C@H]1CCC[N@H+](CCC[NH+]2CCCCC2)C1 ZINC000125053081 145205829 /nfs/dbraw/zinc/20/58/29/145205829.db2.gz FDKWQEODLBPGFT-MSOLQXFVSA-N 2 0 323.525 2.879 20 0 DFADRP C[C@@H]1C[C@@H](C)C[NH+](Cc2ccc(CNC(=O)C(C)(C)[NH3+])cc2)C1 ZINC000164837840 145226201 /nfs/dbraw/zinc/22/62/01/145226201.db2.gz YJJNWOCJBSSGCN-HUUCEWRRSA-N 2 0 317.477 2.518 20 0 DFADRP C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)c1ccc(C[NH3+])cc1 ZINC000165112041 145228804 /nfs/dbraw/zinc/22/88/04/145228804.db2.gz VUWBBPCRUQOHCL-OAHLLOKOSA-N 2 0 303.450 2.530 20 0 DFADRP CC[NH+](CC)Cc1cccc(NC(=O)C2(C[NH3+])CCCC2)c1 ZINC000165129016 145229377 /nfs/dbraw/zinc/22/93/77/145229377.db2.gz IFNWFBMCPQIGLD-UHFFFAOYSA-N 2 0 303.450 2.986 20 0 DFADRP CCO[C@@H](CC[NH+](C)C)C[NH2+][C@H](C)c1c(C)nn(CC)c1C ZINC000166033987 145232613 /nfs/dbraw/zinc/23/26/13/145232613.db2.gz VEFGIVWPJUOAIZ-CJNGLKHVSA-N 2 0 310.486 2.527 20 0 DFADRP O[C@@H]1[C@@H]([NH2+]C2CC[NH+](C3CCCCC3)CC2)CCCC1(F)F ZINC000414291677 543324964 /nfs/dbraw/zinc/32/49/64/543324964.db2.gz AJPFLGNBGGNAHO-JKSUJKDBSA-N 2 0 316.436 2.922 20 0 DFADRP CCc1ccc(C[N@@H+]2CCC[C@H](CN3CCOCC3)C2)cc1 ZINC000172248689 145297227 /nfs/dbraw/zinc/29/72/27/145297227.db2.gz AIPPNVOJSUYQAS-LJQANCHMSA-N 2 0 302.462 2.793 20 0 DFADRP [NH3+]CCC[NH2+]C1CCN(Cc2cc(Cl)cc(Cl)c2)CC1 ZINC000415122976 543329188 /nfs/dbraw/zinc/32/91/88/543329188.db2.gz OUWJNTXVFNHDLA-UHFFFAOYSA-N 2 0 316.276 2.896 20 0 DFADRP Cc1ccc(-c2n[nH]cc2C[NH2+][C@@H]2CCC[C@@H]([NH+](C)C)C2)o1 ZINC000175008557 145396225 /nfs/dbraw/zinc/39/62/25/145396225.db2.gz LPGSMGLMAPJEMN-HUUCEWRRSA-N 2 0 302.422 2.941 20 0 DFADRP [NH3+][C@H]1CCC[C@H](Nc2nccc(N3Cc4ccccc4C3)n2)C1 ZINC000630513530 399897200 /nfs/dbraw/zinc/89/72/00/399897200.db2.gz ODQRIVXOKDFMLV-HOTGVXAUSA-N 2 0 309.417 2.679 20 0 DFADRP CCOc1cc2[nH+]ccc(N3C[C@@H]([NH3+])C[C@H]3C)c2cc1OCC ZINC000630559012 399903216 /nfs/dbraw/zinc/90/32/16/399903216.db2.gz NUNIVHOOTGOWFD-OLZOCXBDSA-N 2 0 315.417 2.958 20 0 DFADRP CCc1ccc(CNc2cc(N3CC[NH+](C)CC3)cc[nH+]2)o1 ZINC000630960022 399953765 /nfs/dbraw/zinc/95/37/65/399953765.db2.gz BBGYBLIXUPCEIS-UHFFFAOYSA-N 2 0 300.406 2.601 20 0 DFADRP CCC[N@@H+]1CCC[C@H]1C(=O)N1CCC(CC)([NH+]2CCCC2)CC1 ZINC000633953986 399964862 /nfs/dbraw/zinc/96/48/62/399964862.db2.gz UXWKRHYMRGWKCA-KRWDZBQOSA-N 2 0 321.509 2.728 20 0 DFADRP COc1ccccc1N1CCC([NH2+]CCC[NH+]2CCCC2)CC1 ZINC000631036025 399966530 /nfs/dbraw/zinc/96/65/30/399966530.db2.gz SPHBHIRTYIKQKI-UHFFFAOYSA-N 2 0 317.477 2.740 20 0 DFADRP COc1cc(Cl)c(CN[C@H]2CC[N@H+](C)[C@H](C)C2)cc1OC ZINC000631080478 399976771 /nfs/dbraw/zinc/97/67/71/399976771.db2.gz QRQUFINYLXIVMX-YPMHNXCESA-N 2 0 312.841 2.930 20 0 DFADRP CC(=O)Nc1cccc(C[NH2+]CC2CC[NH+](C3CC3)CC2)c1 ZINC000631121961 399984568 /nfs/dbraw/zinc/98/45/68/399984568.db2.gz WDXBSDCWULEBTC-UHFFFAOYSA-N 2 0 301.434 2.609 20 0 DFADRP CC[C@H]1CCCC[C@H]1C[NH+]1CCN(CC[NH+]2CCCC2)CC1 ZINC000628121070 399987734 /nfs/dbraw/zinc/98/77/34/399987734.db2.gz PXAPDKPDMVMGCE-OALUTQOASA-N 2 0 307.526 2.916 20 0 DFADRP COc1cc(F)cc(OC)c1C[NH2+]CCCC[N@H+](C)C1CC1 ZINC000631154859 399991674 /nfs/dbraw/zinc/99/16/74/399991674.db2.gz IWPZWDBVRHABDM-UHFFFAOYSA-N 2 0 310.413 2.807 20 0 DFADRP C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1C[NH2+]Cc1cnn2c1CCC2 ZINC000631195281 400000664 /nfs/dbraw/zinc/00/06/64/400000664.db2.gz VGQKDFWGFARKEI-QFBILLFUSA-N 2 0 324.472 2.687 20 0 DFADRP Cc1c(C[NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)cnn1C ZINC000631196187 400001389 /nfs/dbraw/zinc/00/13/89/400001389.db2.gz OHYXLRCQMHCIHM-DNVCBOLYSA-N 2 0 312.461 2.586 20 0 DFADRP Cc1ccc([C@@H](C)C[NH2+][C@@H]2CCN(C3CC[NH+](C)CC3)C2)cc1 ZINC000628214883 400003011 /nfs/dbraw/zinc/00/30/11/400003011.db2.gz QIYPKZNECNFXPH-PKOBYXMFSA-N 2 0 315.505 2.857 20 0 DFADRP Cc1ccc([C@H](C)C[NH2+]CC2(O)CC[NH+](C(C)C)CC2)cc1 ZINC000628228599 400004358 /nfs/dbraw/zinc/00/43/58/400004358.db2.gz UCIWIRANSQRLTI-QGZVFWFLSA-N 2 0 304.478 2.923 20 0 DFADRP C[N@@H+]1CC[C@@H](N(CC[NH3+])c2ccc3ccccc3n2)CC1(C)C ZINC000628310365 400018029 /nfs/dbraw/zinc/01/80/29/400018029.db2.gz ADZYAIBNEXSBJM-MRXNPFEDSA-N 2 0 312.461 2.873 20 0 DFADRP CCC[C@@H]([NH2+]CC(C)(C)N1CC[NH+](C)CC1)c1cc(C)ccn1 ZINC000631566306 400052183 /nfs/dbraw/zinc/05/21/83/400052183.db2.gz OTUNDZSTZQFIMF-QGZVFWFLSA-N 2 0 318.509 2.847 20 0 DFADRP CCC[C@H]([NH2+]C1CCN(CC[NH+](C)C)CC1)c1cc(C)ccn1 ZINC000631567624 400052201 /nfs/dbraw/zinc/05/22/01/400052201.db2.gz YRMMQASDHOCQEK-SFHVURJKSA-N 2 0 318.509 2.847 20 0 DFADRP CCC[C@H]([NH2+]C[C@@H](C)CN1CC[NH+](C)CC1)c1cc(C)ccn1 ZINC000631574819 400053567 /nfs/dbraw/zinc/05/35/67/400053567.db2.gz GKSNPHRULZTJSJ-MSOLQXFVSA-N 2 0 318.509 2.704 20 0 DFADRP COc1cccc2c1OCCC[C@H]2[NH2+]CC1CC[NH+](C)CC1 ZINC000631578502 400054115 /nfs/dbraw/zinc/05/41/15/400054115.db2.gz UWNTWFNRKNXDOK-MRXNPFEDSA-N 2 0 304.434 2.840 20 0 DFADRP CCC[C@@H]([NH2+]CCN1CC[N@H+](C)C(C)(C)C1)c1cc(C)ccn1 ZINC000631625716 400059511 /nfs/dbraw/zinc/05/95/11/400059511.db2.gz QBKJBVSBQFNSMO-QGZVFWFLSA-N 2 0 318.509 2.847 20 0 DFADRP C([NH2+][C@H]1[C@@H]2CCO[C@@H]2C12CCC2)[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000631647252 400061639 /nfs/dbraw/zinc/06/16/39/400061639.db2.gz GBFCVNKMYJCEPZ-XSLAGTTESA-N 2 0 304.478 2.656 20 0 DFADRP C([NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCC2)C1CC[NH+](CC2CC2)CC1 ZINC000631649373 400061924 /nfs/dbraw/zinc/06/19/24/400061924.db2.gz ZFMBTBZLBQQNKX-KSZLIROESA-N 2 0 304.478 2.656 20 0 DFADRP C([NH2+][C@H]1[C@@H]2CCO[C@@H]2C12CCCC2)[C@@H]1CCN1C1CCCC1 ZINC000631652067 400062023 /nfs/dbraw/zinc/06/20/23/400062023.db2.gz XXIJHJNJAWICQI-XSLAGTTESA-N 2 0 304.478 2.941 20 0 DFADRP C([NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCCC2)[C@H]1CCN1C1CCCC1 ZINC000631651920 400062133 /nfs/dbraw/zinc/06/21/33/400062133.db2.gz XXIJHJNJAWICQI-XDNAFOTISA-N 2 0 304.478 2.941 20 0 DFADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC[C@H](O)C(F)F ZINC000631696252 400067604 /nfs/dbraw/zinc/06/76/04/400067604.db2.gz FKOZVGTVQQLNNG-BMFZPTHFSA-N 2 0 312.404 2.503 20 0 DFADRP C[C@@H]1OCC[C@@H]1C[N@H+](Cc1nccs1)[C@@H]1CC12CC[NH2+]CC2 ZINC000631824698 400077707 /nfs/dbraw/zinc/07/77/07/400077707.db2.gz MXZZKTHVJMSKKK-RRFJBIMHSA-N 2 0 321.490 2.512 20 0 DFADRP c1cc(C[N@@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)c2c(c1)COCC2 ZINC000631826755 400077964 /nfs/dbraw/zinc/07/79/64/400077964.db2.gz WIXRONUJVALTAD-IAGOWNOFSA-N 2 0 314.473 2.971 20 0 DFADRP [NH3+][C@@H]1CCO[C@H]([C@H]2CCC[N@H+](C[C@H]3CCC(F)(F)C3)C2)C1 ZINC000631828889 400078075 /nfs/dbraw/zinc/07/80/75/400078075.db2.gz AVZNEYGAVFXZES-XQLPTFJDSA-N 2 0 302.409 2.640 20 0 DFADRP [NH3+][C@@H]1CCO[C@H]([C@H]2CCC[N@H+](C[C@@H]3CCC(F)(F)C3)C2)C1 ZINC000631828887 400078097 /nfs/dbraw/zinc/07/80/97/400078097.db2.gz AVZNEYGAVFXZES-BARDWOONSA-N 2 0 302.409 2.640 20 0 DFADRP c1cc(C[NH+]2CCC([C@@H]3CCC[NH2+]3)CC2)c2c(c1)COCC2 ZINC000631827615 400078144 /nfs/dbraw/zinc/07/81/44/400078144.db2.gz ROYWYFKUWWAPPS-IBGZPJMESA-N 2 0 300.446 2.723 20 0 DFADRP c1cc(C[N@@H+]2CCCC[C@H]2[C@@H]2CC[NH2+]C2)c2c(c1)COCC2 ZINC000631827662 400078183 /nfs/dbraw/zinc/07/81/83/400078183.db2.gz UFGVPWYRPBLJQC-BEFAXECRSA-N 2 0 300.446 2.723 20 0 DFADRP CCO[C@H]1C[C@H]([NH2+]CCC2CC[NH+](CC)CC2)C12CCOCC2 ZINC000186360561 145713289 /nfs/dbraw/zinc/71/32/89/145713289.db2.gz RQIBPYYAQNEYMD-ROUUACIJSA-N 2 0 324.509 2.672 20 0 DFADRP [NH3+][C@@H]1CCC[C@@H]1C(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC000431061598 543347216 /nfs/dbraw/zinc/34/72/16/543347216.db2.gz XCHISEFEYJGFEO-ZWKOTPCHSA-N 2 0 315.461 2.781 20 0 DFADRP CCCC[C@@H]([NH3+])C(=O)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000236704241 146024844 /nfs/dbraw/zinc/02/48/44/146024844.db2.gz NXVUFTUTPYKRQA-QGZVFWFLSA-N 2 0 309.498 2.619 20 0 DFADRP CCCC[C@@H]([NH3+])C(=O)NCC[C@@H](C)[N@H+](C)Cc1ccccc1 ZINC000236748150 146025471 /nfs/dbraw/zinc/02/54/71/146025471.db2.gz RRXKFJYCNRIYSC-NVXWUHKLSA-N 2 0 305.466 2.531 20 0 DFADRP CCCC[C@@H]([NH3+])C(=O)NCC1CC[NH+](Cc2cccs2)CC1 ZINC000236737344 146025892 /nfs/dbraw/zinc/02/58/92/146025892.db2.gz FJIHXHYSUQXIMB-MRXNPFEDSA-N 2 0 323.506 2.594 20 0 DFADRP CCCC[C@@H]([NH3+])C(=O)NC[C@H](c1ccccc1)[NH+](CC)CC ZINC000236756608 146026180 /nfs/dbraw/zinc/02/61/80/146026180.db2.gz KYQLCTYKHGHUJE-IAGOWNOFSA-N 2 0 305.466 2.703 20 0 DFADRP CCCC[C@@H]([NH3+])C(=O)NC[C@H](c1ccc(C)cc1)[NH+]1CCCC1 ZINC000236757334 146026286 /nfs/dbraw/zinc/02/62/86/146026286.db2.gz DQLGMQDFAZSRRB-QZTJIDSGSA-N 2 0 317.477 2.766 20 0 DFADRP CCCC[C@@H]([NH3+])C(=O)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000236778774 146026648 /nfs/dbraw/zinc/02/66/48/146026648.db2.gz YMTKZYBRBPWSTR-GOSISDBHSA-N 2 0 317.477 2.806 20 0 DFADRP C[C@@H]1CCCC[C@H]1[NH2+]C[C@@H](O)CN1CCc2ccccc2C1 ZINC000237386205 146043259 /nfs/dbraw/zinc/04/32/59/146043259.db2.gz VUCNCAPJBPSMBK-ATZDWAIDSA-N 2 0 302.462 2.574 20 0 DFADRP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccc(OC)c(OC)c2)[C@@H](C)C1 ZINC000245726542 146098151 /nfs/dbraw/zinc/09/81/51/146098151.db2.gz IXMQCTMKAMJYCT-GOEBONIOSA-N 2 0 306.450 2.866 20 0 DFADRP CC[N@@H+]1CC[C@@H]([NH2+]CCc2ccc(NC(C)=O)cc2)[C@@H](C)C1 ZINC000247101057 146162169 /nfs/dbraw/zinc/16/21/69/146162169.db2.gz SGTNZJZIYKLNJC-KBXCAEBGSA-N 2 0 303.450 2.507 20 0 DFADRP COc1ccc(COCCC[NH2+][C@@H]2C[C@H](C)[N@H+](C)C[C@@H]2C)cc1 ZINC000247109554 146162401 /nfs/dbraw/zinc/16/24/01/146162401.db2.gz SYGZPRDRFDGDKC-TXPKVOOTSA-N 2 0 320.477 2.920 20 0 DFADRP C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC2C[C@H]3CC[C@@H](C2)[NH+]3C)C1 ZINC000249000403 146180986 /nfs/dbraw/zinc/18/09/86/146180986.db2.gz QILDBPVRZKIGCI-NUIAMIPMSA-N 2 0 307.526 2.958 20 0 DFADRP C[C@H]([NH2+][C@@H]1C[C@@H]2OCCC[C@@H]12)c1cccc(OCC[NH+](C)C)c1 ZINC000252010023 146220633 /nfs/dbraw/zinc/22/06/33/146220633.db2.gz XMZSJVGRZLZCBZ-FZDIXFNVSA-N 2 0 318.461 2.845 20 0 DFADRP C[C@H]([NH2+]C[C@H]1CCCC[C@H]1O)c1ccc(OCC[NH+](C)C)cc1 ZINC000252696311 146222019 /nfs/dbraw/zinc/22/20/19/146222019.db2.gz ZHOBZMBTBPTZHD-KVSKMBFKSA-N 2 0 320.477 2.829 20 0 DFADRP C[C@@H]1C[C@@H](N[C@@H]2CC[NH+](C)[C@H](C)C2)C[N@@H+]1Cc1ccccc1 ZINC000252695959 146222025 /nfs/dbraw/zinc/22/20/25/146222025.db2.gz AZPRWTRAZHBWOO-PSBWJHGTSA-N 2 0 301.478 2.722 20 0 DFADRP c1ccc(C[N@H+]2CCCC[C@H](CNC3CC[NH2+]CC3)C2)cc1 ZINC000261540527 146238089 /nfs/dbraw/zinc/23/80/89/146238089.db2.gz FAYFNAJKNMGYTD-GOSISDBHSA-N 2 0 301.478 2.630 20 0 DFADRP Cc1oc(-c2cccs2)nc1CN1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000261601875 146243544 /nfs/dbraw/zinc/24/35/44/146243544.db2.gz BXMPCGUPIQRKBC-OLZOCXBDSA-N 2 0 303.431 2.753 20 0 DFADRP NCc1nc(CN(CCc2ccc(Cl)cc2)CC2CC2)no1 ZINC000261605852 146245118 /nfs/dbraw/zinc/24/51/18/146245118.db2.gz BFGJPEDVFMOCIP-UHFFFAOYSA-N 2 0 320.824 2.636 20 0 DFADRP CCC[C@](C)([NH3+])C(=O)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000261668944 146257255 /nfs/dbraw/zinc/25/72/55/146257255.db2.gz HALKGZKMTGVCRC-IBGZPJMESA-N 2 0 317.477 2.806 20 0 DFADRP C[C@H]([NH3+])CC(=O)NCC1([NH2+][C@@H](C)c2ccccc2)CCCC1 ZINC000261713549 146263543 /nfs/dbraw/zinc/26/35/43/146263543.db2.gz DPYDISLEBVBRFS-GJZGRUSLSA-N 2 0 303.450 2.504 20 0 DFADRP O=C(CC[C@H]1CC[NH2+]C1)NCC1([NH+]2CCCCC2)CCCCC1 ZINC000261718305 146265256 /nfs/dbraw/zinc/26/52/56/146265256.db2.gz LTDFWZCISUTFNX-KRWDZBQOSA-N 2 0 321.509 2.681 20 0 DFADRP c1coc([C@H](C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)N2CCCC2)c1 ZINC000261740107 146269873 /nfs/dbraw/zinc/26/98/73/146269873.db2.gz NUMGDZQICUYXFA-TVFCKZIOSA-N 2 0 317.477 2.927 20 0 DFADRP C[NH2+]CCC1CC[NH+](CC(=O)N(C)[C@@H](C)c2ccccc2)CC1 ZINC000261754715 146270728 /nfs/dbraw/zinc/27/07/28/146270728.db2.gz PIIRJOVCIFEJPQ-INIZCTEOSA-N 2 0 317.477 2.528 20 0 DFADRP FC(F)(F)c1ccc(-c2n[nH]cc2CN2CCC[NH2+]CC2)cc1 ZINC000261792245 146277735 /nfs/dbraw/zinc/27/77/35/146277735.db2.gz GGYARQFORCLVTO-UHFFFAOYSA-N 2 0 324.350 2.891 20 0 DFADRP CN1CCN(C(=O)C[C@@H]([NH3+])c2ccccc2)[C@H](c2ccccc2)C1 ZINC000261808385 146280440 /nfs/dbraw/zinc/28/04/40/146280440.db2.gz GDKSBAVCXHACKN-MOPGFXCFSA-N 2 0 323.440 2.592 20 0 DFADRP Cc1nc2ccccc2n1CC[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000261818065 146281740 /nfs/dbraw/zinc/28/17/40/146281740.db2.gz WJGNDXBQYHBUPG-BBWFWOEESA-N 2 0 312.461 2.855 20 0 DFADRP COc1ccc(C[NH+]2CCC([C@@H](C)[NH3+])CC2)cc1OC(F)F ZINC000261819509 146283217 /nfs/dbraw/zinc/28/32/17/146283217.db2.gz AORVFFOCXZEBIA-LLVKDONJSA-N 2 0 314.376 2.856 20 0 DFADRP Cc1nn(C(C)C)cc1C[N@@H+]1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000261823206 146283472 /nfs/dbraw/zinc/28/34/72/146283472.db2.gz IOJRWNBYFTYYSL-MJGOQNOKSA-N 2 0 312.461 2.947 20 0 DFADRP CN(Cc1nc(C(C)(C)[NH3+])no1)CC12CC3CC(CC(C3)C1)C2 ZINC000261868171 146292041 /nfs/dbraw/zinc/29/20/41/146292041.db2.gz NWJMFLUGAZGJGT-UHFFFAOYSA-N 2 0 318.465 2.912 20 0 DFADRP [NH3+]C1(c2noc([C@H]3CCC[N@H+](Cc4ccccc4)C3)n2)CCC1 ZINC000261868573 146292200 /nfs/dbraw/zinc/29/22/00/146292200.db2.gz VAEMYQIIKGTZPO-HNNXBMFYSA-N 2 0 312.417 2.787 20 0 DFADRP Cc1ccc2c(C[N@@H+]3CCC[C@@H](CC[NH3+])C3)cc(=O)oc2c1 ZINC000261916826 146301376 /nfs/dbraw/zinc/30/13/76/146301376.db2.gz HCRBHJBBJWEFQX-AWEZNQCLSA-N 2 0 300.402 2.662 20 0 DFADRP Cc1ccc2c(C[NH+]3CCC([C@@H](C)[NH3+])CC3)cc(=O)oc2c1 ZINC000261924910 146302438 /nfs/dbraw/zinc/30/24/38/146302438.db2.gz ILAVRXCIWBMOOY-CYBMUJFWSA-N 2 0 300.402 2.661 20 0 DFADRP CCOc1cc(C)ccc1C[NH2+][C@@H]1CCC[C@H]1[C@H]1COCCN1 ZINC000261939806 146305462 /nfs/dbraw/zinc/30/54/62/146305462.db2.gz MQOBPNALFSHUDO-KZNAEPCWSA-N 2 0 318.461 2.640 20 0 DFADRP CC[C@H](c1ccc(Cl)cc1)[N@@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000261946202 146307725 /nfs/dbraw/zinc/30/77/25/146307725.db2.gz MFQWVIPFPBEPIM-GOEBONIOSA-N 2 0 323.868 2.578 20 0 DFADRP C[C@H](C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1COCCN1)c1ccc(F)cc1 ZINC000261952237 146308988 /nfs/dbraw/zinc/30/89/88/146308988.db2.gz OMGRSSCKCSJROX-RNJTYBCJSA-N 2 0 306.425 2.676 20 0 DFADRP C[C@@]1(C[N@@H+]2CCC[C@H](OCc3ccccc3F)C2)CC[NH2+]C1 ZINC000261960238 146310441 /nfs/dbraw/zinc/31/04/41/146310441.db2.gz HEONNUNMQCFNCO-FUHWJXTLSA-N 2 0 306.425 2.806 20 0 DFADRP C[C@@]1(C[N@@H+]2CCC[C@H](n3ccc(C(F)(F)F)n3)C2)CC[NH2+]C1 ZINC000261998156 146319691 /nfs/dbraw/zinc/31/96/91/146319691.db2.gz LAFSHWFRKYFNML-GXTWGEPZSA-N 2 0 316.371 2.538 20 0 DFADRP C[NH2+]CC1CC[NH+](CC(=O)Nc2ccc(C(C)C)cc2)CC1 ZINC000262021643 146323489 /nfs/dbraw/zinc/32/34/89/146323489.db2.gz XUWBGBFYMMTTMM-UHFFFAOYSA-N 2 0 303.450 2.680 20 0 DFADRP C[NH2+]CCC1CC[NH+](Cc2ccc(-c3cnn(C)c3)s2)CC1 ZINC000262046676 146327260 /nfs/dbraw/zinc/32/72/60/146327260.db2.gz ZCUBCQLYTJMXGC-UHFFFAOYSA-N 2 0 318.490 2.970 20 0 DFADRP C[C@@]1(C[NH+]2CCC(n3ccc(C(F)(F)F)n3)CC2)CC[NH2+]C1 ZINC000262052369 146327828 /nfs/dbraw/zinc/32/78/28/146327828.db2.gz QIDFHFXUZKXUJQ-CQSZACIVSA-N 2 0 316.371 2.538 20 0 DFADRP C[N@H+](CCOc1ccc(F)cc1Cl)[C@H]1CCC[NH2+]CC1 ZINC000262094897 146333307 /nfs/dbraw/zinc/33/33/07/146333307.db2.gz HPEWENNVGYZCIW-ZDUSSCGKSA-N 2 0 300.805 2.932 20 0 DFADRP [NH3+]Cc1ccc(-c2noc([C@H]3CCCCCC[C@H]3[NH3+])n2)cc1 ZINC000262130448 146337115 /nfs/dbraw/zinc/33/71/15/146337115.db2.gz YCMBSHCIZKVHNN-LSDHHAIUSA-N 2 0 300.406 2.960 20 0 DFADRP [NH3+]CC[C@H]1CCC[N@H+](Cc2ccc(OC[C@@H]3CCCO3)cc2)C1 ZINC000262170087 146339762 /nfs/dbraw/zinc/33/97/62/146339762.db2.gz VAFNBIWCDCLYRQ-APWZRJJASA-N 2 0 318.461 2.805 20 0 DFADRP C[C@@H]([NH3+])c1ccc(NC(=O)C2C[C@H]3CCC[C@@H](C2)C3[NH3+])cc1 ZINC000262196403 146341790 /nfs/dbraw/zinc/34/17/90/146341790.db2.gz MPHWCJDFEHLLIE-ZONNIGTESA-N 2 0 301.434 2.798 20 0 DFADRP CCOc1ccccc1OCC[N@@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000262305289 146350219 /nfs/dbraw/zinc/35/02/19/146350219.db2.gz OZXWFJQVSKTYQQ-HRCADAONSA-N 2 0 304.434 2.523 20 0 DFADRP CCC(CC)(CNC1=[NH+]CCCN1)[NH2+][C@H](C)c1ccccc1 ZINC000262333017 146352498 /nfs/dbraw/zinc/35/24/98/146352498.db2.gz VXSZSKRFFHIEAY-OAHLLOKOSA-N 2 0 302.466 2.835 20 0 DFADRP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](CCC(=O)Nc3cccc(Cl)c3)C[C@H]21 ZINC000262344632 146352647 /nfs/dbraw/zinc/35/26/47/146352647.db2.gz UPQNJXWBOZWNJV-DAXOMENPSA-N 2 0 321.852 2.728 20 0 DFADRP CC1CC[NH+](C2CCC(NC(=O)[C@H]3CC[NH2+][C@@H](C)C3)CC2)CC1 ZINC000262421645 146358584 /nfs/dbraw/zinc/35/85/84/146358584.db2.gz QPGNVPVMZQNVLE-VYMRPNJYSA-N 2 0 321.509 2.534 20 0 DFADRP Fc1ccc(-c2nc(CN3CC[C@@]4(CC[NH2+]C4)C3)co2)cc1 ZINC000262526186 146368527 /nfs/dbraw/zinc/36/85/27/146368527.db2.gz OXBIASZQIBLWPS-QGZVFWFLSA-N 2 0 301.365 2.666 20 0 DFADRP Cc1ccc(NC(=O)[C@H](C)[NH+]2CCC(C[NH+](C)C)CC2)cc1F ZINC000354509916 147062611 /nfs/dbraw/zinc/06/26/11/147062611.db2.gz XKORTCQNZUXXGX-AWEZNQCLSA-N 2 0 321.440 2.735 20 0 DFADRP CC[NH+]1CCN(c2ccccc2C[N@@H+]2CCC[C@@H]2CF)CC1 ZINC000354520866 147066077 /nfs/dbraw/zinc/06/60/77/147066077.db2.gz LHBRARCLJOWASQ-QGZVFWFLSA-N 2 0 305.441 2.762 20 0 DFADRP CC[N@@H+]1CC[C@H]([NH+](C)C[C@@H](O)COc2cccc(C)c2)C[C@H]1C ZINC000354533409 147069966 /nfs/dbraw/zinc/06/99/66/147069966.db2.gz COOBCLWNUYLOEB-FGTMMUONSA-N 2 0 320.477 2.539 20 0 DFADRP Cc1nccn1CC[N@H+]1CCC[C@H]1CN(C)C(=O)OC(C)(C)C ZINC000494143402 543414194 /nfs/dbraw/zinc/41/41/94/543414194.db2.gz WUUCDFZMERNEMI-HNNXBMFYSA-N 2 0 322.453 2.523 20 0 DFADRP CC[N@@H+]1CCCC[C@@H]1C(=O)NCC(C)(C)[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000354706708 147121821 /nfs/dbraw/zinc/12/18/21/147121821.db2.gz BOIYYCSSHSSCKK-BRWVUGGUSA-N 2 0 323.525 2.734 20 0 DFADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N1CC[NH+](CC2CCCCC2)CC1 ZINC000354797414 147154903 /nfs/dbraw/zinc/15/49/03/147154903.db2.gz RYRYUFVBQRQOJP-GOSISDBHSA-N 2 0 321.509 2.585 20 0 DFADRP c1ccc(C[NH+]2C[C@@H]3C[NH+](C[C@H]4CCSC4)C[C@H]3C2)cc1 ZINC000355306589 147257710 /nfs/dbraw/zinc/25/77/10/147257710.db2.gz CHAJVZWLOPYBPY-KZNAEPCWSA-N 2 0 302.487 2.803 20 0 DFADRP C[C@@H](O)C[N@H+](C)C1CCN(CCc2ccccc2Cl)CC1 ZINC000357638513 148066996 /nfs/dbraw/zinc/06/69/96/148066996.db2.gz SUDNUUJXGBESEN-CQSZACIVSA-N 2 0 310.869 2.660 20 0 DFADRP CCO[C@@H]1C[C@@H]([NH2+]CC(C)(C)C[NH+]2CCCC2)C12CCOCC2 ZINC000357847657 148147707 /nfs/dbraw/zinc/14/77/07/148147707.db2.gz JNLBXJCVCWEVOI-IAGOWNOFSA-N 2 0 324.509 2.672 20 0 DFADRP CCC[C@H](C(=O)N[C@@H](C)[C@H](c1ccccc1C)[NH+](C)C)[NH+](C)C ZINC000357853611 148150455 /nfs/dbraw/zinc/15/04/55/148150455.db2.gz CBYABDOPSWIPTI-CGTJXYLNSA-N 2 0 319.493 2.833 20 0 DFADRP CC[NH+](CC)CCO[C@@H]1CC[N@H+](CCOc2cccc(C)c2)C1 ZINC000350229318 286020162 /nfs/dbraw/zinc/02/01/62/286020162.db2.gz YQLZHKHWTKEDRU-LJQANCHMSA-N 2 0 320.477 2.807 20 0 DFADRP CCCc1ccc(C[NH2+][C@H]2CCN(C3CC[NH+](C)CC3)C2)s1 ZINC000621335783 543482946 /nfs/dbraw/zinc/48/29/46/543482946.db2.gz ZABKVKJTQBSJLX-HNNXBMFYSA-N 2 0 321.534 2.959 20 0 DFADRP CCCc1ccc(C[NH2+][C@@H]2CCN(C3CC[NH+](C)CC3)C2)s1 ZINC000621335784 543483050 /nfs/dbraw/zinc/48/30/50/543483050.db2.gz ZABKVKJTQBSJLX-OAHLLOKOSA-N 2 0 321.534 2.959 20 0 DFADRP C[C@@H]1CN(C)C[C@@H]1[NH2+]CCOc1ccc(C(F)(F)F)cc1 ZINC000358024584 148215032 /nfs/dbraw/zinc/21/50/32/148215032.db2.gz RALROCKKWPRUPY-RISCZKNCSA-N 2 0 302.340 2.624 20 0 DFADRP C[C@H]1CN(C)C[C@H]1[NH2+]CCOc1ccc(C(F)(F)F)cc1 ZINC000358024585 148215768 /nfs/dbraw/zinc/21/57/68/148215768.db2.gz RALROCKKWPRUPY-SMDDNHRTSA-N 2 0 302.340 2.624 20 0 DFADRP C[C@H]1CCC[C@@H]([NH+]2CCC([NH2+]C3CCC(C(N)=O)CC3)CC2)C1 ZINC000358185310 148276810 /nfs/dbraw/zinc/27/68/10/148276810.db2.gz YHKLISFTWMQEJC-MMIPBJDJSA-N 2 0 321.509 2.663 20 0 DFADRP CC(C)C[C@H]1C[C@H]([NH2+]Cc2cc(C3CC[NH2+]CC3)no2)CCO1 ZINC000425894413 296603334 /nfs/dbraw/zinc/60/33/34/296603334.db2.gz GLIKTEVPGNMMGX-CVEARBPZSA-N 2 0 321.465 2.825 20 0 DFADRP Fc1cc(F)cc(CC[NH2+]Cc2cc(C3CC[NH2+]CC3)no2)c1 ZINC000425898954 296603354 /nfs/dbraw/zinc/60/33/54/296603354.db2.gz JZVLLXLJSCPMJJ-UHFFFAOYSA-N 2 0 321.371 2.752 20 0 DFADRP O=C(CC[NH2+]C1CC[NH+](C2CCCCC2)CC1)N1CCCCC1 ZINC000358232331 148295766 /nfs/dbraw/zinc/29/57/66/148295766.db2.gz BPZKAABHTMLOGG-UHFFFAOYSA-N 2 0 321.509 2.776 20 0 DFADRP Clc1ccccc1CN1CCC([NH2+]CCN2CCC2)CC1 ZINC000358340394 148335002 /nfs/dbraw/zinc/33/50/02/148335002.db2.gz LAYYDOIFZGDSRH-UHFFFAOYSA-N 2 0 307.869 2.600 20 0 DFADRP Cc1cnc(CC[NH2+]C2CC[NH+]([C@H]3CCCC[C@H]3C)CC2)nc1 ZINC000358360091 148341644 /nfs/dbraw/zinc/34/16/44/148341644.db2.gz VJDCFVKXKSOIMG-AEFFLSMTSA-N 2 0 316.493 2.960 20 0 DFADRP CC(C)N(C(=O)C[N@@H+]1CCC2(C1)CC[NH2+]CC2)c1ccccc1 ZINC000358503884 148380458 /nfs/dbraw/zinc/38/04/58/148380458.db2.gz HFYKPOHYSVGUBO-UHFFFAOYSA-N 2 0 315.461 2.504 20 0 DFADRP CCn1c2ccc(F)cc2nc1C[N@@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000358516154 148381532 /nfs/dbraw/zinc/38/15/32/148381532.db2.gz OAAYQIFGZJNZQR-UHFFFAOYSA-N 2 0 316.424 2.771 20 0 DFADRP Cc1cc2[nH]c(C[NH2+]CC3CC[NH+](CCO)CC3)cc2c(C)c1 ZINC000359083334 148551100 /nfs/dbraw/zinc/55/11/00/148551100.db2.gz PECQMODAHILVBJ-UHFFFAOYSA-N 2 0 315.461 2.579 20 0 DFADRP CC[NH+](CC)CCOCC[NH2+][C@H]1CCc2c(cccc2OC)C1 ZINC000426026355 296610119 /nfs/dbraw/zinc/61/01/19/296610119.db2.gz ZAYXGTGZDAHKFU-KRWDZBQOSA-N 2 0 320.477 2.501 20 0 DFADRP CC[C@@H](C(=O)N1CCC[C@H]1C[NH+]1CCCCC1)[NH+](CC)CC ZINC000359788168 148752550 /nfs/dbraw/zinc/75/25/50/148752550.db2.gz DNZKUGUNDDWFKO-IRXDYDNUSA-N 2 0 309.498 2.584 20 0 DFADRP COC[C@@H](C[NH+]1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1)OC ZINC000660007078 543524301 /nfs/dbraw/zinc/52/43/01/543524301.db2.gz YOEVXAHEBHEWEL-FUHWJXTLSA-N 2 0 312.498 2.624 20 0 DFADRP C[C@@H]([NH2+]CCCC[NH+](C)C)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000360861478 148956565 /nfs/dbraw/zinc/95/65/65/148956565.db2.gz SGQXCFRJXGUQTF-CYBMUJFWSA-N 2 0 303.450 2.909 20 0 DFADRP C[NH+](C)Cc1ccc(-c2noc([C@H]3CCC[C@@H]([NH3+])C3)n2)cc1 ZINC000350723902 286077703 /nfs/dbraw/zinc/07/77/03/286077703.db2.gz FXYAMJZSKRSSBJ-LSDHHAIUSA-N 2 0 300.406 2.783 20 0 DFADRP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]C[C@@H]1CCN(c2ccccc2F)C1 ZINC000360995261 149002765 /nfs/dbraw/zinc/00/27/65/149002765.db2.gz ICBPTUFAYNCUAN-VYDXJSESSA-N 2 0 305.441 2.582 20 0 DFADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]C[C@](C)(OC)C2CC2)[C@H](C)C1 ZINC000361010507 149007506 /nfs/dbraw/zinc/00/75/06/149007506.db2.gz PMEHJBANKOIQCW-NJAFHUGGSA-N 2 0 312.498 2.528 20 0 DFADRP CCC[C@@H](CC)[NH2+]Cc1c(C)nn(C)c1N1CCC[N@H+](C)CC1 ZINC000361027104 149012891 /nfs/dbraw/zinc/01/28/91/149012891.db2.gz DGWCDNWNRXBSME-MRXNPFEDSA-N 2 0 321.513 2.539 20 0 DFADRP CC[N@@H+]1CC[C@@H](N(C)C(=O)CC2(C[NH3+])CCCCC2)C[C@@H]1C ZINC000361627497 149172829 /nfs/dbraw/zinc/17/28/29/149172829.db2.gz NKSSVVBOFRZXLB-JKSUJKDBSA-N 2 0 309.498 2.617 20 0 DFADRP CCC[C@@](C)([NH3+])C(=O)NC1CC[NH+](Cc2cccc(C)c2)CC1 ZINC000361717837 149200245 /nfs/dbraw/zinc/20/02/45/149200245.db2.gz JAFPDRRYACJMOQ-LJQANCHMSA-N 2 0 317.477 2.593 20 0 DFADRP CC[C@H](C(=O)N1CC[NH+](C2CCCCC2)CC1)[NH+](CC)CC ZINC000361816306 149227705 /nfs/dbraw/zinc/22/77/05/149227705.db2.gz XMSMVFCEPKCBHO-QGZVFWFLSA-N 2 0 309.498 2.584 20 0 DFADRP Cc1ccc(C[C@H]([NH2+]CC2(O)CC[NH+](C)CC2)C(C)C)cc1 ZINC000361888996 149247109 /nfs/dbraw/zinc/24/71/09/149247109.db2.gz NERLFLLTUHTLNK-SFHVURJKSA-N 2 0 304.478 2.608 20 0 DFADRP Cc1ccc(F)cc1C[N@H+]1CC[C@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000361901879 149251234 /nfs/dbraw/zinc/25/12/34/149251234.db2.gz WWGBQKBTUJZGEZ-IBGZPJMESA-N 2 0 319.468 2.734 20 0 DFADRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H](C)Cc2ccoc2)[C@@H](C)C1 ZINC000361930927 149257761 /nfs/dbraw/zinc/25/77/61/149257761.db2.gz SQKPHDVKOOLSOJ-BQFCYCMXSA-N 2 0 308.466 2.937 20 0 DFADRP CC(C)C[C@H](C[NH+](C)C)NC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC000362624086 149326369 /nfs/dbraw/zinc/32/63/69/149326369.db2.gz QXUIGHBQFVFYSC-AEFFLSMTSA-N 2 0 323.525 2.876 20 0 DFADRP Cc1cc(C)cc(NC(=O)[C@H](C)[NH+]2CCC(C[NH+](C)C)CC2)c1 ZINC000350917102 286099709 /nfs/dbraw/zinc/09/97/09/286099709.db2.gz HOLXVJMRMWFGSO-INIZCTEOSA-N 2 0 317.477 2.904 20 0 DFADRP C[C@@H]1CC[C@@H](C)[NH+]1[C@@H]1CCCN(C(=O)CC2CC[NH+](C)CC2)C1 ZINC000362669180 149338687 /nfs/dbraw/zinc/33/86/87/149338687.db2.gz UHTKWDQGAIPKMM-JFIYKMOQSA-N 2 0 321.509 2.582 20 0 DFADRP c1ccc(OCC2CC[NH+](CCC[NH+]3CCCC3)CC2)nc1 ZINC000362731677 149353288 /nfs/dbraw/zinc/35/32/88/149353288.db2.gz TZBCGEREDAHBPE-UHFFFAOYSA-N 2 0 303.450 2.658 20 0 DFADRP CC(C)CCC[C@H](C)NC(=O)CN1CCC[C@@H](c2ncc[nH]2)C1 ZINC000362865644 149384757 /nfs/dbraw/zinc/38/47/57/149384757.db2.gz SACNBWXVJOZEIP-JKSUJKDBSA-N 2 0 320.481 2.920 20 0 DFADRP Cn1c2ccccc2nc1CC[N@@H+]1C[C@@H]2C[NH+]3CCCC[C@H]3[C@@H]2C1 ZINC000362925274 149398596 /nfs/dbraw/zinc/39/85/96/149398596.db2.gz HMQPRLXOUWJQNJ-NUJGCVRESA-N 2 0 324.472 2.532 20 0 DFADRP [NH3+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccc(OCc4ccncc4)cc3)C[C@@H]12 ZINC000351472898 286129053 /nfs/dbraw/zinc/12/90/53/286129053.db2.gz BSZYQOKCXGUDMX-MISYRCLQSA-N 2 0 323.440 2.830 20 0 DFADRP [NH3+][C@@H]1CC[C@@H]2C[N@H+](CCOc3ccccc3C(F)(F)F)C[C@H]12 ZINC000351475821 286129326 /nfs/dbraw/zinc/12/93/26/286129326.db2.gz JKIQXZDGTSQEQN-MBNYWOFBSA-N 2 0 314.351 2.753 20 0 DFADRP [NH3+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccc(OCc4cccnc4)cc3)C[C@@H]12 ZINC000351480899 286131148 /nfs/dbraw/zinc/13/11/48/286131148.db2.gz WGJADRQAQBNMIC-MISYRCLQSA-N 2 0 323.440 2.830 20 0 DFADRP [NH3+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccc(OCc4cccnc4)cc3)C[C@H]12 ZINC000351480901 286131160 /nfs/dbraw/zinc/13/11/60/286131160.db2.gz WGJADRQAQBNMIC-YZGWKJHDSA-N 2 0 323.440 2.830 20 0 DFADRP COc1ccc(-c2cnc(CN3C[C@@H]4CC[C@@H]([NH3+])[C@H]4C3)o2)cc1 ZINC000351494130 286135124 /nfs/dbraw/zinc/13/51/24/286135124.db2.gz NLQSHABKRDFJLR-CWRNSKLLSA-N 2 0 313.401 2.519 20 0 DFADRP COc1cc([C@H](C)[NH2+]CCOCC[NH+](C)C)ccc1SC ZINC000351501041 286137133 /nfs/dbraw/zinc/13/71/33/286137133.db2.gz HZPPNMGBFYHUHL-ZDUSSCGKSA-N 2 0 312.479 2.646 20 0 DFADRP COc1ccc(Cl)cc1[C@@H](C)[NH2+]CCOCC[NH+](C)C ZINC000351502871 286137744 /nfs/dbraw/zinc/13/77/44/286137744.db2.gz NPEOTYVIKIIDAX-GFCCVEGCSA-N 2 0 300.830 2.577 20 0 DFADRP C[NH+]1CCC(CC[NH2+][C@H]2CCC(=O)Nc3ccc(F)cc32)CC1 ZINC000369985566 149865634 /nfs/dbraw/zinc/86/56/34/149865634.db2.gz NXFWSMMNWDQEJX-INIZCTEOSA-N 2 0 319.424 2.921 20 0 DFADRP C[C@@H]([NH2+][C@H]1CCN(C2CC[NH+](C)CC2)C1)c1cc(F)cc(F)c1 ZINC000370636661 149959104 /nfs/dbraw/zinc/95/91/04/149959104.db2.gz SBIOSZOEDJSYPW-DYVFJYSZSA-N 2 0 323.431 2.784 20 0 DFADRP C[C@@H](Cc1ccccc1F)[NH2+][C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000370688280 149966676 /nfs/dbraw/zinc/96/66/76/149966676.db2.gz FYCQFESFTCJVSN-RDJZCZTQSA-N 2 0 319.468 2.515 20 0 DFADRP Cc1csc(C[N@@H+](C)C2CCN(c3cc[nH+]cc3)CC2)n1 ZINC000371204779 150001977 /nfs/dbraw/zinc/00/19/77/150001977.db2.gz JWTSEHQOUAOEJD-UHFFFAOYSA-N 2 0 302.447 2.947 20 0 DFADRP Cc1ccccc1OCC[N@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@H]21 ZINC000371295683 150018445 /nfs/dbraw/zinc/01/84/45/150018445.db2.gz UHWSJEPUDPKHRE-ZHALLVOQSA-N 2 0 318.461 2.557 20 0 DFADRP C[C@@H]1CC[N@H+](CC(=O)NC2CCCCCC2)C[C@@H]1n1ccnc1 ZINC000371334940 150025671 /nfs/dbraw/zinc/02/56/71/150025671.db2.gz HSLUSUXRLBUIIJ-WBVHZDCISA-N 2 0 318.465 2.605 20 0 DFADRP Cc1nccn1CCC[NH+]1CCC2(C[C@H]2C[N@@H+](C)C2CC2)CC1 ZINC000371330253 150026147 /nfs/dbraw/zinc/02/61/47/150026147.db2.gz SLXZTNFTSPEARA-KRWDZBQOSA-N 2 0 316.493 2.778 20 0 DFADRP Cc1cc[nH+]c(NC[C@H]2CC[N@H+](Cc3nc(C)ccc3O)C2)c1 ZINC000371376453 150034566 /nfs/dbraw/zinc/03/45/66/150034566.db2.gz YNRLCKHIEUVXNG-OAHLLOKOSA-N 2 0 312.417 2.733 20 0 DFADRP CC[N@@H+]1CC[C@H](C[NH2+][C@H]2CCC(=O)Nc3ccc(F)cc32)C1 ZINC000371727768 150087675 /nfs/dbraw/zinc/08/76/75/150087675.db2.gz LSZQNDAYFOPQKH-DOMZBBRYSA-N 2 0 305.397 2.531 20 0 DFADRP Cc1ccc(C[NH+](C)C)cc1NC(=O)[C@H]1C[C@H]2CCCC[N@@H+]2C1 ZINC000371879688 150108375 /nfs/dbraw/zinc/10/83/75/150108375.db2.gz JYQFKQQGLIZVAK-DLBZAZTESA-N 2 0 315.461 2.870 20 0 DFADRP C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@H]1[NH2+]CCC[C@@H]1CCCCO1 ZINC000371889663 150110178 /nfs/dbraw/zinc/11/01/78/150110178.db2.gz ZCAYLMYUYZSXEI-YDZRNGNQSA-N 2 0 324.509 2.815 20 0 DFADRP CC[NH+](CC)[C@H](CNC(=O)C[C@H]1CCC[NH2+]CC1)CC(C)C ZINC000372419408 150170048 /nfs/dbraw/zinc/17/00/48/150170048.db2.gz CFAFXCFXDNMMGO-IRXDYDNUSA-N 2 0 311.514 2.639 20 0 DFADRP C[N@@H+](Cc1ccc(F)nc1)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000372903965 150199553 /nfs/dbraw/zinc/19/95/53/150199553.db2.gz IZJSIONLWYDHDP-UHFFFAOYSA-N 2 0 314.408 2.964 20 0 DFADRP CCOC(=O)[C@@]1(C(C)C)CC[N@H+](CC[C@H]2CCCC[NH+]2C)C1 ZINC000373183213 150242954 /nfs/dbraw/zinc/24/29/54/150242954.db2.gz OUKGZSFBHZQROD-AEFFLSMTSA-N 2 0 310.482 2.772 20 0 DFADRP CC[C@@H](C)NC(=[NH2+])NC[C@@]1(C)CC[N@H+](Cc2ccccc2)C1 ZINC000374006040 150291490 /nfs/dbraw/zinc/29/14/90/150291490.db2.gz ODZCXUIKYYGASA-CRAIPNDOSA-N 2 0 302.466 2.811 20 0 DFADRP c1cnn(CC[N@@H+]2CC[C@]3(C2)CCC[NH+](Cc2ccccc2)C3)c1 ZINC000374052726 150300386 /nfs/dbraw/zinc/30/03/86/150300386.db2.gz FIWJPJZEBQNVJA-FQEVSTJZSA-N 2 0 324.472 2.871 20 0 DFADRP CCOC(=O)CCC[NH+]1CCC2(C[C@H]2C[N@H+](C)C2CC2)CC1 ZINC000374294414 150337323 /nfs/dbraw/zinc/33/73/23/150337323.db2.gz JZSBYRAHFZONDH-HNNXBMFYSA-N 2 0 308.466 2.526 20 0 DFADRP C[C@H](C(=O)Nc1cccc2c1C[NH2+]CC2)[C@@H]([NH3+])c1ccccc1 ZINC000375964091 150506138 /nfs/dbraw/zinc/50/61/38/150506138.db2.gz MNUGPDVETLFRLH-SCLBCKFNSA-N 2 0 309.413 2.607 20 0 DFADRP CCO[C@@H](CC[NH+](C)C)C[NH2+][C@@H]1CCCNc2ccccc21 ZINC000192942102 286198535 /nfs/dbraw/zinc/19/85/35/286198535.db2.gz UZPYGRNWVZIWRJ-MAUKXSAKSA-N 2 0 305.466 2.880 20 0 DFADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]CC2CC(OCC)C2)[C@H](C)C1 ZINC000351821221 286226310 /nfs/dbraw/zinc/22/63/10/286226310.db2.gz GYZZHLDDPUOLLH-CPFNUKBASA-N 2 0 312.498 2.528 20 0 DFADRP CC[NH+](CC)C[C@H]1CCCC[C@@H]1[NH2+]C1CCC(NC(C)=O)CC1 ZINC000427720475 296665699 /nfs/dbraw/zinc/66/56/99/296665699.db2.gz NFRNKXVRKIBUMO-UGXKVIGPSA-N 2 0 323.525 2.924 20 0 DFADRP CCC[C@@H]([NH2+]C(C)C)C(=O)NCC(C)(C)[N@@H+]1CCC[C@H](C)C1 ZINC000352156355 286307327 /nfs/dbraw/zinc/30/73/27/286307327.db2.gz JIZGCWPWYQQXQQ-JKSUJKDBSA-N 2 0 311.514 2.780 20 0 DFADRP CCC[C@H]([NH2+]C(C)C)C(=O)NC[C@@H](c1cccc(F)c1)[NH+](C)C ZINC000352142646 286303157 /nfs/dbraw/zinc/30/31/57/286303157.db2.gz VXMAIXQKAVITCD-IRXDYDNUSA-N 2 0 323.456 2.711 20 0 DFADRP CCC[C@@H]([NH2+]C(C)C)C(=O)NCc1cccc(C[N@H+](C)CC)c1 ZINC000352146413 286304146 /nfs/dbraw/zinc/30/41/46/286304146.db2.gz FIMCMFAWFFZJCW-GOSISDBHSA-N 2 0 319.493 2.921 20 0 DFADRP CCC[C@H]([NH2+]C(C)C)C(=O)N1CCC(CCC[NH+](C)C)CC1 ZINC000352349264 286349841 /nfs/dbraw/zinc/34/98/41/286349841.db2.gz CBEPDYQPVLHQTP-KRWDZBQOSA-N 2 0 311.514 2.734 20 0 DFADRP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000352411798 286366664 /nfs/dbraw/zinc/36/66/64/286366664.db2.gz YXYPZCLWAZIMLL-HZPDHXFCSA-N 2 0 321.509 2.773 20 0 DFADRP CSc1ccccc1NC(=O)CC[N@@H+]1CCCC[C@@H]1CC[NH3+] ZINC000352488451 286386176 /nfs/dbraw/zinc/38/61/76/286386176.db2.gz QJOUKXWKXLUCKA-CQSZACIVSA-N 2 0 321.490 2.940 20 0 DFADRP C[C@H]1CCCC[C@H]1NC(=O)C[N@H+](CCC[NH3+])CC1CCCC1 ZINC000352510502 286393181 /nfs/dbraw/zinc/39/31/81/286393181.db2.gz NTHSVXWLWBIVEO-DOTOQJQBSA-N 2 0 309.498 2.522 20 0 DFADRP C[C@@H](NC(=O)C[N@H+](CCC[NH3+])CC1CCCC1)c1ccccc1 ZINC000352519784 286396399 /nfs/dbraw/zinc/39/63/99/286396399.db2.gz RNAQEVADGQBRBH-MRXNPFEDSA-N 2 0 317.477 2.705 20 0 DFADRP CC[NH+]1CCN(C[C@H](C)C[NH2+]C[C@H]2CC(C)=C[C@H](C)C2)CC1 ZINC000352836668 286480953 /nfs/dbraw/zinc/48/09/53/286480953.db2.gz WFSNHLZBXIXMJY-QXAKKESOSA-N 2 0 307.526 2.842 20 0 DFADRP CCC[C@@H]([NH2+]C(C)C)C(=O)Nc1ccc(CC[NH+](C)C)cc1 ZINC000353160282 286566789 /nfs/dbraw/zinc/56/67/89/286566789.db2.gz YBINRXNSWXBBJM-QGZVFWFLSA-N 2 0 305.466 2.896 20 0 DFADRP C[C@H]([NH3+])c1ccc(CNC(=O)[C@H]2CCCCCC[C@@H]2[NH3+])cc1 ZINC000429507016 296747317 /nfs/dbraw/zinc/74/73/17/296747317.db2.gz BUBRAEDPSXMOBJ-JQFCIGGWSA-N 2 0 303.450 2.620 20 0 DFADRP Cc1csc(C[NH+]2CCC(CCC[NH+]3CCOCC3)CC2)n1 ZINC000182988217 158012638 /nfs/dbraw/zinc/01/26/38/158012638.db2.gz KNYBRDVBZRCMBP-UHFFFAOYSA-N 2 0 323.506 2.776 20 0 DFADRP C[C@H](NC(=O)C[NH+]1[C@H](C)CC[C@H]1C)[C@@H](c1ccccc1)[NH+](C)C ZINC000353494691 286663481 /nfs/dbraw/zinc/66/34/81/286663481.db2.gz QGONJPNSAKLSKH-JEWRLFTDSA-N 2 0 317.477 2.667 20 0 DFADRP CCO[C@@H](CC[NH+](C)C)C[NH2+][C@@H]1C[C@H](OC(C)C)C1(C)C ZINC000185236124 158049896 /nfs/dbraw/zinc/04/98/96/158049896.db2.gz ALJRLPQGWQHESM-XHSDSOJGSA-N 2 0 300.487 2.525 20 0 DFADRP CC[N@@H+]1CC[C@@H]([NH2+]CCc2nc3cc(F)ccc3n2C)[C@@H](C)C1 ZINC000246491302 158093971 /nfs/dbraw/zinc/09/39/71/158093971.db2.gz RXXVIEMKHJKTKI-DZGCQCFKSA-N 2 0 318.440 2.575 20 0 DFADRP CC[N@@H+]1CC[C@H]([NH2+][C@@H]2CCN(c3ncccc3Cl)C2)[C@@H](C)C1 ZINC000246945517 158107177 /nfs/dbraw/zinc/10/71/77/158107177.db2.gz HDJSGZZQANSSOY-LZWOXQAQSA-N 2 0 322.884 2.634 20 0 DFADRP CC(C)[C@@H](C)[NH2+]Cc1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000247954103 158152974 /nfs/dbraw/zinc/15/29/74/158152974.db2.gz FIEJPSRNSGASSL-CRAIPNDOSA-N 2 0 317.477 2.518 20 0 DFADRP CCc1ccc([C@H](CN[C@H]2CC[N@H+](C)[C@@H](C)C2)[NH+](C)C)cc1 ZINC000247971030 158155673 /nfs/dbraw/zinc/15/56/73/158155673.db2.gz JJVUHZVLMHHSTC-SNRMKQJTSA-N 2 0 303.494 2.924 20 0 DFADRP CC[NH+](CC)CCC[NH2+][C@@H]1CCN(Cc2ccccn2)C[C@H]1C ZINC000248041316 158158959 /nfs/dbraw/zinc/15/89/59/158158959.db2.gz SZDBTQHVQTZINZ-IEBWSBKVSA-N 2 0 318.509 2.614 20 0 DFADRP C[N@@H+]1CCC[C@H]2CN(Cc3nc4cc(F)ccc4o3)CC[C@H]21 ZINC000248185224 158164809 /nfs/dbraw/zinc/16/48/09/158164809.db2.gz XFLMNYZMKLJRFV-SWLSCSKDSA-N 2 0 303.381 2.883 20 0 DFADRP CC[N@@H+]1CC[C@H]([NH2+]Cc2cn(C)nc2-c2ccccc2)[C@@H](C)C1 ZINC000248385058 158169186 /nfs/dbraw/zinc/16/91/86/158169186.db2.gz HAPCREKDZOERQB-YJBOKZPZSA-N 2 0 312.461 2.907 20 0 DFADRP CC[C@@H]1CCC[N@H+](CC(=O)NC[C@H](c2ccccc2)[NH+](C)C)C1 ZINC000248402450 158172240 /nfs/dbraw/zinc/17/22/40/158172240.db2.gz VFBKRZQERDOOLA-SJLPKXTDSA-N 2 0 317.477 2.528 20 0 DFADRP CC[N@H+](C)CCN[C@@H]1CCC[C@@H]2C[NH+](Cc3ccccc3)C[C@H]21 ZINC000248403510 158172837 /nfs/dbraw/zinc/17/28/37/158172837.db2.gz OQFRAWLUWKYBLO-VAMGGRTRSA-N 2 0 315.505 2.828 20 0 DFADRP C[C@H](O)CC[NH2+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000248406452 158173767 /nfs/dbraw/zinc/17/37/67/158173767.db2.gz SJVOZGCFDJLRJE-JCHJZTRSSA-N 2 0 302.462 2.648 20 0 DFADRP COCC[C@H](C)[NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]12 ZINC000248418753 158174819 /nfs/dbraw/zinc/17/48/19/158174819.db2.gz TWIBGGAABZRWFV-JCHJZTRSSA-N 2 0 302.462 2.912 20 0 DFADRP CC[C@H](COC)[NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]12 ZINC000248420521 158175308 /nfs/dbraw/zinc/17/53/08/158175308.db2.gz XCVPNHCBSZQBKS-NCXUSEDFSA-N 2 0 302.462 2.912 20 0 DFADRP O[C@@H]1CC[N@H+](Cc2ccccc2C[NH2+]C[C@H]2CC=CCC2)C1 ZINC000248440378 158176433 /nfs/dbraw/zinc/17/64/33/158176433.db2.gz JJWQNOBJTIOSEJ-QFBILLFUSA-N 2 0 300.446 2.699 20 0 DFADRP OCC1(C[NH2+][C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]23)CCC1 ZINC000248446490 158177275 /nfs/dbraw/zinc/17/72/75/158177275.db2.gz COZZQGNWKIMAEB-CEXWTWQISA-N 2 0 314.473 2.649 20 0 DFADRP C[N@H+](CCN1CC[C@@H](C[NH+]2CCCC2)C1)Cc1ccc(F)cc1 ZINC000248612800 158189387 /nfs/dbraw/zinc/18/93/87/158189387.db2.gz YBFRFTKTVMKSFK-SFHVURJKSA-N 2 0 319.468 2.675 20 0 DFADRP C[C@@H]1COCC[C@@H]1[NH2+]C[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000248827400 158202602 /nfs/dbraw/zinc/20/26/02/158202602.db2.gz DGNUVCQUAIFKPL-QRQLOZEOSA-N 2 0 302.462 2.566 20 0 DFADRP CC[NH+]1CCN([C@H](C)CNc2cc(C)[nH+]c3ccccc23)CC1 ZINC000301563930 158220052 /nfs/dbraw/zinc/22/00/52/158220052.db2.gz YPRLMOIXCJGLCC-MRXNPFEDSA-N 2 0 312.461 2.981 20 0 DFADRP C[C@H](O)CCC[NH+]1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC000354878454 158240763 /nfs/dbraw/zinc/24/07/63/158240763.db2.gz GQDBDIIUVOHCGF-KRWDZBQOSA-N 2 0 304.478 2.991 20 0 DFADRP C[C@H](C1CCC1)[N@H+](C)CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000355067703 158266505 /nfs/dbraw/zinc/26/65/05/158266505.db2.gz YBHHTWDDCLYDAF-QAPCUYQASA-N 2 0 317.477 2.526 20 0 DFADRP C[C@H](c1ccc(F)cc1)[N@@H+]1CCN(C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000355072345 158267778 /nfs/dbraw/zinc/26/77/78/158267778.db2.gz RLUUREFUDQDOTB-HZPDHXFCSA-N 2 0 319.468 2.987 20 0 DFADRP CO[C@]1(C)CCC[N@H+](Cc2cn(-c3cc[nH+]cc3)nc2C)C1 ZINC000355208742 158298447 /nfs/dbraw/zinc/29/84/47/158298447.db2.gz BWANLDIGQZIXFH-QGZVFWFLSA-N 2 0 300.406 2.577 20 0 DFADRP CCCN(CC[NH+]1CCCCCC1)C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000356641588 158304735 /nfs/dbraw/zinc/30/47/35/158304735.db2.gz ITAXFRNFZWZFER-ROUUACIJSA-N 2 0 323.525 2.831 20 0 DFADRP C[C@H]([NH2+]CCCc1nc2ccccc2n1C)[C@@H]1CCCOC1 ZINC000356853615 158315749 /nfs/dbraw/zinc/31/57/49/158315749.db2.gz SHTAMVSWRNGHTR-LSDHHAIUSA-N 2 0 301.434 2.911 20 0 DFADRP CCCOc1ccc(C[NH2+][C@@H]2CC[N@H+](C)C[C@H]2C)cc1OC ZINC000356864349 158316444 /nfs/dbraw/zinc/31/64/44/158316444.db2.gz KQNGFDNVWHAYSJ-GDBMZVCRSA-N 2 0 306.450 2.914 20 0 DFADRP Cc1ncsc1C[NH+]1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000356944590 158328417 /nfs/dbraw/zinc/32/84/17/158328417.db2.gz FWNYERCITJZOOL-UHFFFAOYSA-N 2 0 323.506 2.776 20 0 DFADRP COc1ccc(OC)c(C[NH+]2CCC([C@H]3CC[NH2+]C3)CC2)c1 ZINC000357039907 158354926 /nfs/dbraw/zinc/35/49/26/158354926.db2.gz BHUYQEZENCFPIF-HNNXBMFYSA-N 2 0 304.434 2.525 20 0 DFADRP c1cnn(-c2cccc(C[NH+]3CCC([C@H]4CC[NH2+]C4)CC3)c2)c1 ZINC000357052591 158356981 /nfs/dbraw/zinc/35/69/81/158356981.db2.gz NWQYSVPPPMYXQV-SFHVURJKSA-N 2 0 310.445 2.694 20 0 DFADRP CC(C)[C@H](C(=O)NCCCCC[NH+]1CCCC1)[NH+]1CCCCC1 ZINC000357088042 158363387 /nfs/dbraw/zinc/36/33/87/158363387.db2.gz MVVZOMJNBKKDRD-GOSISDBHSA-N 2 0 323.525 2.879 20 0 DFADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]CCCc2ccccn2)[C@H](C)C1 ZINC000358291723 158369064 /nfs/dbraw/zinc/36/90/64/158369064.db2.gz GMKRUICAOXWIFO-MJGOQNOKSA-N 2 0 319.493 2.741 20 0 DFADRP CC[C@@H](C(=O)NCC1([NH+]2CCCCC2)CCCCC1)[NH+](C)C ZINC000124499880 286737705 /nfs/dbraw/zinc/73/77/05/286737705.db2.gz QRGKTPQVQXWHFY-INIZCTEOSA-N 2 0 309.498 2.632 20 0 DFADRP C[C@@H](C(=O)N1CCC([NH+]2CCCCC2)CC1)[NH+]1CCCCCC1 ZINC000357785403 286745665 /nfs/dbraw/zinc/74/56/65/286745665.db2.gz CDJMDNSQFZSNQG-KRWDZBQOSA-N 2 0 321.509 2.728 20 0 DFADRP CC[NH2+]CC1CC[NH+](CCC(=O)Nc2cccc(F)c2C)CC1 ZINC000430596746 296798697 /nfs/dbraw/zinc/79/86/97/296798697.db2.gz PAEFYBFKTMEVPB-UHFFFAOYSA-N 2 0 321.440 2.784 20 0 DFADRP CCC[C@H](NC(=O)[C@@H](C)[NH+]1CCC(C[NH3+])CC1)c1ccccc1 ZINC000430611987 296800463 /nfs/dbraw/zinc/80/04/63/296800463.db2.gz QJAFBYQOINWBPP-QAPCUYQASA-N 2 0 317.477 2.703 20 0 DFADRP [NH3+]CC1CC[NH+](CCc2nc(-c3cccc(Cl)c3)no2)CC1 ZINC000430655516 296803007 /nfs/dbraw/zinc/80/30/07/296803007.db2.gz RPMRKFJZSWHUEJ-UHFFFAOYSA-N 2 0 320.824 2.603 20 0 DFADRP CCC(CC)(CNC(=O)C(C)(C)C[NH3+])[NH2+][C@@H](C)c1ccccc1 ZINC000430725337 296807123 /nfs/dbraw/zinc/80/71/23/296807123.db2.gz QKPZXVLIFSDENS-HNNXBMFYSA-N 2 0 319.493 2.997 20 0 DFADRP CC[C@@H](Cc1ccc(OC)c(OC)c1)[NH2+]C[C@H](C)C[NH+](C)C ZINC000293732463 286859448 /nfs/dbraw/zinc/85/94/48/286859448.db2.gz QDYMHAMMZZBWOR-HOCLYGCPSA-N 2 0 308.466 2.812 20 0 DFADRP CCC[C@@H](NC(=O)C[NH+]1CCC([C@H](C)[NH3+])CC1)c1ccccc1 ZINC000430937320 296813591 /nfs/dbraw/zinc/81/35/91/296813591.db2.gz AWRQROFHACHWKP-MAUKXSAKSA-N 2 0 317.477 2.703 20 0 DFADRP CSc1cccc(NC(=O)[C@@H](C)[NH+]2CCC([C@H](C)[NH3+])CC2)c1 ZINC000430948357 296814184 /nfs/dbraw/zinc/81/41/84/296814184.db2.gz IPYRHNCISYKZRP-QWHCGFSZSA-N 2 0 321.490 2.795 20 0 DFADRP C[C@@H]([NH3+])C1CC[NH+]([C@H]2CCN(c3ccc(Cl)cc3)C2=O)CC1 ZINC000430968983 296816060 /nfs/dbraw/zinc/81/60/60/296816060.db2.gz ZYJICRUFBSSIPK-WBMJQRKESA-N 2 0 321.852 2.505 20 0 DFADRP C[N@@H+]1CCN(CC[NH2+]Cc2ccsc2Cl)CC1(C)C ZINC000441339569 297180184 /nfs/dbraw/zinc/18/01/84/297180184.db2.gz ZBCKUFRGQVVZLM-UHFFFAOYSA-N 2 0 301.887 2.517 20 0 DFADRP C[C@@H]([NH2+]Cc1ccnc(N2CC[NH+](C)CC2)c1)c1ccccc1 ZINC000129409101 196045769 /nfs/dbraw/zinc/04/57/69/196045769.db2.gz WXVDFOJZUFFOSD-MRXNPFEDSA-N 2 0 310.445 2.684 20 0 DFADRP CC(C)[C@H](C(=O)N1CCC[N@H+](CC2CCCCC2)CC1)[NH+](C)C ZINC000130689063 196101222 /nfs/dbraw/zinc/10/12/22/196101222.db2.gz SZARULFSLMMPBY-GOSISDBHSA-N 2 0 323.525 2.687 20 0 DFADRP C[C@H](C[NH2+][C@@H](C)c1cccc(OCC[NH+](C)C)c1)N(C)C1CC1 ZINC000130875448 196118613 /nfs/dbraw/zinc/11/86/13/196118613.db2.gz ZFTVOFNEDCBLPB-CVEARBPZSA-N 2 0 319.493 2.760 20 0 DFADRP CC1CCC([NH+]2CCC([N@H+](C)CCn3ccnc3)CC2)CC1 ZINC000131026913 196133965 /nfs/dbraw/zinc/13/39/65/196133965.db2.gz FCDAMXPBNJGPST-UHFFFAOYSA-N 2 0 304.482 2.858 20 0 DFADRP CC[NH+](CC)[C@@H](CNC(=O)C[N@H+](CC)C1CC1)c1ccsc1 ZINC000131052384 196136289 /nfs/dbraw/zinc/13/62/89/196136289.db2.gz CSPZSYYEJCVGPX-INIZCTEOSA-N 2 0 323.506 2.732 20 0 DFADRP COCCOc1ccc([C@@H](C)[NH2+]CC(C)(C)C[NH+](C)C)cc1 ZINC000132123481 196228343 /nfs/dbraw/zinc/22/83/43/196228343.db2.gz YCIRFFVHFARQBB-OAHLLOKOSA-N 2 0 308.466 2.950 20 0 DFADRP COc1ccccc1[C@H](C)[NH2+]C[C@H](C(C)C)N1CC[NH+](C)CC1 ZINC000132340381 196246864 /nfs/dbraw/zinc/24/68/64/196246864.db2.gz PAPDFMRDDBQSQA-FUHWJXTLSA-N 2 0 319.493 2.618 20 0 DFADRP COc1cccc([C@@H](C)[NH2+]C[C@@H](C(C)C)N2CC[NH+](C)CC2)c1 ZINC000132331226 196245993 /nfs/dbraw/zinc/24/59/93/196245993.db2.gz OBIIVYYNRRLVKT-APWZRJJASA-N 2 0 319.493 2.618 20 0 DFADRP Cc1cccc2c1CC[C@H]2[NH2+]C[C@@H](C(C)C)N1CC[NH+](C)CC1 ZINC000132418700 196254357 /nfs/dbraw/zinc/25/43/57/196254357.db2.gz PDJSSZZTEFRIBH-UXHICEINSA-N 2 0 315.505 2.844 20 0 DFADRP CCN1CCC[C@@H]([NH2+][C@@H](C)c2cccc(OCC[NH+](C)C)c2)C1 ZINC000133016659 196304953 /nfs/dbraw/zinc/30/49/53/196304953.db2.gz UXOCBZLTVJUFIE-FUHWJXTLSA-N 2 0 319.493 2.762 20 0 DFADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@@H]2COC3(CCCCCC3)O2)[C@H](C)C1 ZINC000133273801 196327061 /nfs/dbraw/zinc/32/70/61/196327061.db2.gz IEWSMTKMAHNYPT-ZACQAIPSSA-N 2 0 310.482 2.772 20 0 DFADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+]C[C@@H](C)Cc2ccccc2)CC1 ZINC000133886528 196342528 /nfs/dbraw/zinc/34/25/28/196342528.db2.gz QDMBELLPEDPEQT-OALUTQOASA-N 2 0 317.521 2.728 20 0 DFADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+]C[C@H](C)Cc2ccccc2)CC1 ZINC000133886938 196343038 /nfs/dbraw/zinc/34/30/38/196343038.db2.gz QDMBELLPEDPEQT-MOPGFXCFSA-N 2 0 317.521 2.728 20 0 DFADRP C[C@H]([NH2+]CC1(O)CCCCC1)c1ccc(OCC[NH+](C)C)cc1 ZINC000134023716 196353837 /nfs/dbraw/zinc/35/38/37/196353837.db2.gz DIKBNOAZXDGRQV-INIZCTEOSA-N 2 0 320.477 2.973 20 0 DFADRP CCC[C@H](C(=O)Nc1ccc(C[NH+]2CCCC2)cc1)[NH+](C)C ZINC000134244663 196374023 /nfs/dbraw/zinc/37/40/23/196374023.db2.gz FLQPMPLXYFBBHZ-QGZVFWFLSA-N 2 0 303.450 2.951 20 0 DFADRP C[C@@H]1CCCC[C@@H]1C[N@@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000374966713 287284643 /nfs/dbraw/zinc/28/46/43/287284643.db2.gz XLGXKYGJXFGLFU-MKXGPGLRSA-N 2 0 307.526 2.771 20 0 DFADRP C[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+]C2CCC(C(N)=O)CC2)CC1 ZINC000358179056 287310893 /nfs/dbraw/zinc/31/08/93/287310893.db2.gz QVZBLAZDISFRGS-YHOLWWCESA-N 2 0 321.509 2.663 20 0 DFADRP Cn1ncc(C2CCC2)c1C[NH+]1CCC(CC[NH+](C)C)CC1 ZINC000667543963 543626266 /nfs/dbraw/zinc/62/62/66/543626266.db2.gz QWQWFFSUEOJQLT-UHFFFAOYSA-N 2 0 304.482 2.851 20 0 DFADRP Oc1ccc2c(c1)CC[N@@H+](Cc1ccnn1-c1cc[nH+]cc1)CC2 ZINC000667564190 543631791 /nfs/dbraw/zinc/63/17/91/543631791.db2.gz DPVPUPMVADEOLN-UHFFFAOYSA-N 2 0 320.396 2.574 20 0 DFADRP C[NH+](C)CCCOc1ccc(C[NH2+][C@@H]2CO[C@@H](C3CC3)C2)cc1 ZINC000667834685 543688895 /nfs/dbraw/zinc/68/88/95/543688895.db2.gz ZMLCSQOSYKKVGJ-PKOBYXMFSA-N 2 0 318.461 2.674 20 0 DFADRP Cc1cc(N2CCC[C@H]([NH2+][C@@H]3CCC[C@@H]4C[C@@H]43)C2)nc(C)n1 ZINC000667839755 543689726 /nfs/dbraw/zinc/68/97/26/543689726.db2.gz BMJXSZSRJRXBBS-LTIDMASMSA-N 2 0 300.450 2.840 20 0 DFADRP COCCc1ccc(OC[C@@H](C)[NH2+]CC2CC[NH+](C)CC2)cc1 ZINC000667854008 543692432 /nfs/dbraw/zinc/69/24/32/543692432.db2.gz WKFSTMQLAQKNGA-MRXNPFEDSA-N 2 0 320.477 2.574 20 0 DFADRP COCCc1ccc(OC[C@H](C)[NH2+]CC2CC[NH+](C)CC2)cc1 ZINC000667854007 543692720 /nfs/dbraw/zinc/69/27/20/543692720.db2.gz WKFSTMQLAQKNGA-INIZCTEOSA-N 2 0 320.477 2.574 20 0 DFADRP CC[N@@H+]1CC[C@H](C[NH2+][C@@H](C)COc2ccc(CCOC)cc2)C1 ZINC000667792566 543680110 /nfs/dbraw/zinc/68/01/10/543680110.db2.gz CSOVFVJTUHGBPA-FUHWJXTLSA-N 2 0 320.477 2.574 20 0 DFADRP COCC[N@H+](Cc1ccnn1-c1cc[nH+]cc1)[C@H]1CC[C@@H](C)C1 ZINC000668055998 543731545 /nfs/dbraw/zinc/73/15/45/543731545.db2.gz PXASLVTZNVWJQU-WBVHZDCISA-N 2 0 314.433 2.904 20 0 DFADRP Cc1ncc(CN(CCc2ccccn2)Cc2cccnc2)n1C ZINC000668098987 543739291 /nfs/dbraw/zinc/73/92/91/543739291.db2.gz WPFIUVIGYVSILK-UHFFFAOYSA-N 2 0 321.428 2.763 20 0 DFADRP C[N@@H+](Cc1ccc(F)c(F)c1F)C[C@H]1CCn2ccnc2C1 ZINC000668170081 543758114 /nfs/dbraw/zinc/75/81/14/543758114.db2.gz CFQHCTBNUCTJBV-NSHDSACASA-N 2 0 309.335 2.995 20 0 DFADRP C[C@@H]1CN(C)CC[C@H]1[N@H+](C)Cc1ccc(O[C@@H]2CCOC2)cc1 ZINC000668172855 543758636 /nfs/dbraw/zinc/75/86/36/543758636.db2.gz VFBGTFINUUTSBP-ATZDWAIDSA-N 2 0 318.461 2.626 20 0 DFADRP Cc1ncc(C[N@@H+](C[C@@H](C)c2ccccc2)[C@@H](C)CO)n1C ZINC000668174806 543759560 /nfs/dbraw/zinc/75/95/60/543759560.db2.gz YZEZRFJYFJXYLP-CABCVRRESA-N 2 0 301.434 2.715 20 0 DFADRP C[C@]12CC[N@H+](Cc3ccnn3-c3cc[nH+]cc3)C[C@H]1C2(F)F ZINC000668183536 543761959 /nfs/dbraw/zinc/76/19/59/543761959.db2.gz HNDXFKYUCHFQSP-CABCVRRESA-N 2 0 304.344 2.744 20 0 DFADRP C[C@@H](CN(C)CCC[NH+](C)C)[NH2+]C1CC(C)(c2ccccc2)C1 ZINC000668474722 543812472 /nfs/dbraw/zinc/81/24/72/543812472.db2.gz DOWAVEDZOAIEAG-KKXNLOMOSA-N 2 0 317.521 2.968 20 0 DFADRP C[NH+](C)CCC[C@@H]1C[N@H+](Cc2cccc3cnccc32)CCO1 ZINC000668784263 543866855 /nfs/dbraw/zinc/86/68/55/543866855.db2.gz AFLLNQYQFXSHIS-GOSISDBHSA-N 2 0 313.445 2.777 20 0 DFADRP C[C@H]1CN(Cc2ccccc2)CC[C@H]1[NH2+][C@H]1CC[C@@H](CO)C1 ZINC000296633594 226070220 /nfs/dbraw/zinc/07/02/20/226070220.db2.gz XOOHZTSLWBLWQZ-WZGPROSRSA-N 2 0 302.462 2.648 20 0 DFADRP c1ccc(C[N@@H+]2CC[C@]3(CC[NH+]([C@H]4CCCOC4)C3)C2)cc1 ZINC000671723617 544101767 /nfs/dbraw/zinc/10/17/67/544101767.db2.gz PATLCQQXLIKGTR-OALUTQOASA-N 2 0 300.446 2.763 20 0 DFADRP CCC[C@]1([NH2+]Cc2ccc(OCC[NH+](C)C)cc2)CCOC1 ZINC000671726616 544103049 /nfs/dbraw/zinc/10/30/49/544103049.db2.gz ZDDQORFZNDSDIT-SFHVURJKSA-N 2 0 306.450 2.676 20 0 DFADRP C[N@@H+]1CC[C@H]([NH2+]C[C@@H]2OCCc3ccccc32)[C@@H]2CCC[C@H]21 ZINC000671751998 544106534 /nfs/dbraw/zinc/10/65/34/544106534.db2.gz KAYDXVMETPQGPE-OKYOBFRVSA-N 2 0 300.446 2.763 20 0 DFADRP CC(C)[C@@H]1CC[C@@H]1[NH2+]Cc1ccc(CN2CC[NH+](C)CC2)cc1 ZINC000671742060 544105163 /nfs/dbraw/zinc/10/51/63/544105163.db2.gz WTENCXZTZVTJDU-PMACEKPBSA-N 2 0 315.505 2.958 20 0 DFADRP C[C@H]([NH2+][C@@H](CN(C)C)c1ccc(F)cc1)C1CC[NH+](C)CC1 ZINC000672616762 544143433 /nfs/dbraw/zinc/14/34/33/544143433.db2.gz QKZYNQKFJFKKQO-KSSFIOAISA-N 2 0 307.457 2.748 20 0 DFADRP CCC[NH+]1CCC([NH2+]C[C@H](CO)c2ccc(Cl)cc2)CC1 ZINC000672621215 544143828 /nfs/dbraw/zinc/14/38/28/544143828.db2.gz XTHMCXIIOTYTOK-OAHLLOKOSA-N 2 0 310.869 2.880 20 0 DFADRP C[NH+](C)Cc1ccccc1NC(=O)CC[C@H]1CCCC[N@@H+]1C ZINC000672741899 544149856 /nfs/dbraw/zinc/14/98/56/544149856.db2.gz LVXGJMUMFBAMAN-MRXNPFEDSA-N 2 0 303.450 2.951 20 0 DFADRP C[NH+](C)Cc1cccc(C[NH2+]C2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000297345739 227041452 /nfs/dbraw/zinc/04/14/52/227041452.db2.gz DXTCVGQFNLLATG-UHFFFAOYSA-N 3 0 324.472 2.902 20 0 DFADRP CCOC1CC[NH+](CC[C@H](C)[NH+]2CCC(OCC)CC2)CC1 ZINC000673717798 544193352 /nfs/dbraw/zinc/19/33/52/544193352.db2.gz JZIKRAGSASOKAQ-INIZCTEOSA-N 2 0 312.498 2.767 20 0 DFADRP CCc1c(C)[nH+]c2ccccc2c1N1CCC([NH2+]CCO)CC1 ZINC000290965451 222034278 /nfs/dbraw/zinc/03/42/78/222034278.db2.gz OZNWXUWLIBKGEU-UHFFFAOYSA-N 2 0 313.445 2.656 20 0 DFADRP C[C@H](C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)C1CCCC1 ZINC000674092515 544219460 /nfs/dbraw/zinc/21/94/60/544219460.db2.gz JSOXQOKEZDIRIB-INIZCTEOSA-N 2 0 311.514 2.545 20 0 DFADRP C[C@@H](C(=O)NC[C@@H](c1cccs1)[NH+]1CCC(C)CC1)[NH+](C)C ZINC000674243881 544225919 /nfs/dbraw/zinc/22/59/19/544225919.db2.gz YBFZTJVHWUBSDH-GJZGRUSLSA-N 2 0 323.506 2.587 20 0 DFADRP CCN(C(=O)[C@H](C)[NH+](C)C)[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000674286951 544229063 /nfs/dbraw/zinc/22/90/63/544229063.db2.gz JZYINQZVQYJOLG-RYRKJORJSA-N 2 0 317.477 2.621 20 0 DFADRP CC[N@@H+]1CC[C@@H](N(C)Cc2cn3cccc(C)c3n2)[C@@H](C)C1 ZINC000674306012 544230545 /nfs/dbraw/zinc/23/05/45/544230545.db2.gz YOBRNSAWMKUYRS-DOTOQJQBSA-N 2 0 300.450 2.805 20 0 DFADRP CC[NH+](CC)Cc1ccc(C(=O)N[C@H]2C[N@@H+](C(C)C)C[C@@H]2C)o1 ZINC000674965101 544280127 /nfs/dbraw/zinc/28/01/27/544280127.db2.gz MCTTYPBYHZHDOC-HOCLYGCPSA-N 2 0 321.465 2.580 20 0 DFADRP CO[C@@H]1C[C@@H]([NH2+]Cc2ccc(OCC[NH+](C)C)cc2)C1(C)C ZINC000674677502 544250663 /nfs/dbraw/zinc/25/06/63/544250663.db2.gz JIZRZDFKAVGDQX-IAGOWNOFSA-N 2 0 306.450 2.530 20 0 DFADRP c1ccc2c(c1)CCCN2CC[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000675783707 544336154 /nfs/dbraw/zinc/33/61/54/544336154.db2.gz RFFUPZWWDPAPED-UHFFFAOYSA-N 2 0 313.489 2.903 20 0 DFADRP Cc1cccc2c1CC[C@H]2[NH2+]CC(C)(C)N1CC[NH+](C)CC1 ZINC000675742603 544332967 /nfs/dbraw/zinc/33/29/67/544332967.db2.gz SXPIBDVPWHWXTD-GOSISDBHSA-N 2 0 301.478 2.598 20 0 DFADRP C[NH+]1CCN(C(C)(C)C[NH2+][C@H](Cc2ccccc2)C2CC2)CC1 ZINC000675742992 544333461 /nfs/dbraw/zinc/33/34/61/544333461.db2.gz YJZZROWGJVKZKM-LJQANCHMSA-N 2 0 315.505 2.623 20 0 DFADRP CC(C)(C)C(=O)N1CCC([NH2+]C2CC[NH+](C(C)(C)C)CC2)CC1 ZINC000675749727 544333622 /nfs/dbraw/zinc/33/36/22/544333622.db2.gz QVMTTZDJZCSNGA-UHFFFAOYSA-N 2 0 323.525 2.876 20 0 DFADRP O[C@@H](C[NH2+][C@@H](CC1CC1)c1ccccc1)C[NH+]1CCCCC1 ZINC000675768310 544334950 /nfs/dbraw/zinc/33/49/50/544334950.db2.gz ZZNHEYYMMZKJSG-OALUTQOASA-N 2 0 302.462 2.964 20 0 DFADRP CCC[NH+]1CCC([NH2+][C@H]2CCN(c3cccc(OC)c3)C2)CC1 ZINC000675809945 544338161 /nfs/dbraw/zinc/33/81/61/544338161.db2.gz ASEZQSRYXFQXOQ-KRWDZBQOSA-N 2 0 317.477 2.738 20 0 DFADRP COc1ccccc1OCCC[NH2+][C@@H](C)C1CC[NH+](C)CC1 ZINC000675813076 544338689 /nfs/dbraw/zinc/33/86/89/544338689.db2.gz DVNNZWRYNOGXRY-HNNXBMFYSA-N 2 0 306.450 2.784 20 0 DFADRP Cc1cccc2c1CC[C@@H]2[NH2+][C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000675869806 544341268 /nfs/dbraw/zinc/34/12/68/544341268.db2.gz AVFJSEVTWAPKJA-UZLBHIALSA-N 2 0 313.489 2.740 20 0 DFADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2ccc(O)cc2)[C@@H](C)C1 ZINC000675802543 544337721 /nfs/dbraw/zinc/33/77/21/544337721.db2.gz STANPDCLNBATEG-YJBOKZPZSA-N 2 0 306.450 2.619 20 0 DFADRP CC[C@@H]1CN(C(=O)C(C)C)CC[C@H]1[NH2+]C1CC[NH+](C(C)C)CC1 ZINC000675915803 544344225 /nfs/dbraw/zinc/34/42/25/544344225.db2.gz ADJFBYLLSBKVJT-SJLPKXTDSA-N 2 0 323.525 2.732 20 0 DFADRP C[N@@H+]1CCCC[C@@H]1C(=O)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000676950272 544416275 /nfs/dbraw/zinc/41/62/75/544416275.db2.gz YMFMOZPKRZTSAO-GOSISDBHSA-N 2 0 321.509 2.585 20 0 DFADRP CCC1([NH2+]Cc2ccc(OCC[NH+](C)C)cc2)CCOCC1 ZINC000677752419 544537475 /nfs/dbraw/zinc/53/74/75/544537475.db2.gz YUJHWEOFIGSACB-UHFFFAOYSA-N 2 0 306.450 2.676 20 0 DFADRP C[C@@H]1C[C@H](C)CN(CC[NH2+][C@@H]2[C@H]3CCO[C@H]3C23CCCC3)C1 ZINC000677645761 544515654 /nfs/dbraw/zinc/51/56/54/544515654.db2.gz MAKSMFOVEFNTEP-CWQOZTLDSA-N 2 0 306.494 2.902 20 0 DFADRP CC(=O)Nc1cccc(C[N@H+]2CCCC23CC[NH+](C)CC3)c1 ZINC000678218972 544621580 /nfs/dbraw/zinc/62/15/80/544621580.db2.gz IJRGAMLVYUUVTG-UHFFFAOYSA-N 2 0 301.434 2.705 20 0 DFADRP CCCn1cc(C[N@@H+]2CC[C@@H](CNc3cc(C)cc[nH+]3)C2)cn1 ZINC000678232919 544626773 /nfs/dbraw/zinc/62/67/73/544626773.db2.gz PUFWJDMNTJLZKG-INIZCTEOSA-N 2 0 313.449 2.931 20 0 DFADRP C[C@@H]1C[N@H+](Cc2ccc(OCC[NH+]3CCCC3)cc2)CCCO1 ZINC000678239022 544628147 /nfs/dbraw/zinc/62/81/47/544628147.db2.gz UMFLAGAJFLHABP-QGZVFWFLSA-N 2 0 318.461 2.772 20 0 DFADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+][C@H](C)c2ccc(C)nc2C)CC1 ZINC000678422526 544670174 /nfs/dbraw/zinc/67/01/74/544670174.db2.gz GUDSNDRNKHQFMQ-DOTOQJQBSA-N 2 0 318.509 2.623 20 0 DFADRP C[N@H+](Cc1cn[nH]c1)Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000678265877 544637208 /nfs/dbraw/zinc/63/72/08/544637208.db2.gz BLVQVMWKKUZHHU-UHFFFAOYSA-N 2 0 314.433 2.516 20 0 DFADRP C[C@@H](CC1CCC1)[NH2+]Cc1ccc(C(=O)NCC[NH+](C)C)cc1 ZINC000678591112 544698651 /nfs/dbraw/zinc/69/86/51/544698651.db2.gz GAMZDHXEXMZHCM-HNNXBMFYSA-N 2 0 317.477 2.646 20 0 DFADRP Cc1ccc([C@H](C)[NH2+]C2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)c(C)n1 ZINC000678598082 544699631 /nfs/dbraw/zinc/69/96/31/544699631.db2.gz AASSZXOJPIYFRC-KFKAGJAMSA-N 2 0 317.477 2.727 20 0 DFADRP C[C@H]1CCc2ccccc2[C@@H]1[NH2+]C1CCN(CC[NH+](C)C)CC1 ZINC000678766389 544717060 /nfs/dbraw/zinc/71/70/60/544717060.db2.gz KEURWASJSHSTQA-OXJNMPFZSA-N 2 0 315.505 2.926 20 0 DFADRP C[C@@H]1CCc2ccccc2[C@@H]1[NH2+]CCCN1CC[NH+](C)CC1 ZINC000678767300 544718249 /nfs/dbraw/zinc/71/82/49/544718249.db2.gz YTBPBAHAJMGADD-VQIMIIECSA-N 2 0 301.478 2.537 20 0 DFADRP CCC[NH+]1CCC([NH2+]CCNC(=O)CC2CCCCC2)CC1 ZINC000678774254 544718906 /nfs/dbraw/zinc/71/89/06/544718906.db2.gz ZUAVVFCAGYOSKW-UHFFFAOYSA-N 2 0 309.498 2.537 20 0 DFADRP C[C@H](CCc1ccccc1)C[NH2+]CCCN1CCC[N@H+](C)CC1 ZINC000678954534 544756254 /nfs/dbraw/zinc/75/62/54/544756254.db2.gz FPOFUOJJIPZENU-LJQANCHMSA-N 2 0 317.521 2.873 20 0 DFADRP CC[N@@H+]1C[C@H](C)[C@H](NC2CC[NH+]([C@H]3CCCC[C@H]3C)CC2)C1 ZINC000679074237 544779366 /nfs/dbraw/zinc/77/93/66/544779366.db2.gz AFMSBZCFQZDTLH-JFRXWTBNSA-N 2 0 307.526 2.959 20 0 DFADRP Cc1ccc(C[NH2+][C@H](C)C2CC[NH+](C)CC2)c(N2CCCC2)n1 ZINC000679724059 544906508 /nfs/dbraw/zinc/90/65/08/544906508.db2.gz QOBVOAGCLAEEKF-MRXNPFEDSA-N 2 0 316.493 2.810 20 0 DFADRP Cc1cc2ccccc2c(N2CCC([N@H+](C)CCCO)CC2)[nH+]1 ZINC000302031229 230048980 /nfs/dbraw/zinc/04/89/80/230048980.db2.gz ILJVZEMRMHWGEB-UHFFFAOYSA-N 2 0 313.445 2.826 20 0 DFADRP CO[C@@H]1CCC[NH+]([C@@H](C)CC[N@H+]2CCC[C@@H](OC)CC2)CC1 ZINC000679954002 544933534 /nfs/dbraw/zinc/93/35/34/544933534.db2.gz OBHIYUBYBUGDBY-RCCFBDPRSA-N 2 0 312.498 2.767 20 0 DFADRP Cc1cc(N2CCC(CCC[NH+]3CCOCC3)CC2)cc[nH+]1 ZINC000302467112 230256895 /nfs/dbraw/zinc/25/68/95/230256895.db2.gz POJBBQZZVOBBEE-UHFFFAOYSA-N 2 0 303.450 2.719 20 0 DFADRP C[NH+](C)CCC1CC[NH+](CCOCCOc2ccccc2)CC1 ZINC000056522049 425895324 /nfs/dbraw/zinc/89/53/24/425895324.db2.gz MFABQELGYWOGLE-UHFFFAOYSA-N 2 0 320.477 2.746 20 0 DFADRP CC[NH+]1CCN([C@@H](C)C[NH2+][C@@H](C)c2cccc(C)c2C)CC1 ZINC000155593218 425921574 /nfs/dbraw/zinc/92/15/74/425921574.db2.gz YLJQTPNOGOPDOY-WMZOPIPTSA-N 2 0 303.494 2.980 20 0 DFADRP CC[NH+]1CCN([C@@H](C)C[NH2+][C@@H]2CCc3ccc(C)cc32)CC1 ZINC000155694167 425924306 /nfs/dbraw/zinc/92/43/06/425924306.db2.gz OEFQKGRVDCBKPA-QFBILLFUSA-N 2 0 301.478 2.598 20 0 DFADRP CC[C@H](C)[C@H]([NH3+])C(=O)NC[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000155757172 425926725 /nfs/dbraw/zinc/92/67/25/425926725.db2.gz AQYCRVUCXZJIBU-SDADXPQNSA-N 2 0 323.506 2.621 20 0 DFADRP C[NH+](C)CCC[NH2+][C@@H]1CCCC[C@@H]1CNC(=O)OC(C)(C)C ZINC000173337905 267568988 /nfs/dbraw/zinc/56/89/88/267568988.db2.gz NRNWFAPWPWHKMQ-HUUCEWRRSA-N 2 0 313.486 2.611 20 0 DFADRP CC(C)[C@@H](Cc1ccccc1)[NH2+]C[C@H](O)C[NH+]1CCCCC1 ZINC000187050208 267841628 /nfs/dbraw/zinc/84/16/28/267841628.db2.gz UOQDXFKFBDCPLJ-RBUKOAKNSA-N 2 0 304.478 2.690 20 0 DFADRP CSc1ccc(C[NH2+]CC(C)(C)N2CC[NH+](C)CC2)cc1 ZINC000019999196 425792599 /nfs/dbraw/zinc/79/25/99/425792599.db2.gz HDPSMPIXFGSYAJ-UHFFFAOYSA-N 2 0 307.507 2.524 20 0 DFADRP [NH3+]CCCC[NH2+]Cc1cc(Br)ccc1OC(F)F ZINC000037715405 425848931 /nfs/dbraw/zinc/84/89/31/425848931.db2.gz YWGRFWUSDVIYHO-UHFFFAOYSA-N 2 0 323.181 2.879 20 0 DFADRP COC(=O)[C@@](C)(C[NH2+]C1CC[NH+](C(C)C)CC1)c1ccccc1 ZINC000191578771 268006417 /nfs/dbraw/zinc/00/64/17/268006417.db2.gz AHNFWOZGLBWYFY-IBGZPJMESA-N 2 0 318.461 2.580 20 0 DFADRP COC(=O)C1CCC([NH2+][C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)CC1 ZINC000192447612 268036243 /nfs/dbraw/zinc/03/62/43/268036243.db2.gz HOAWIOJSNXMQNK-ORBLRFAASA-N 2 0 322.493 2.961 20 0 DFADRP C[C@H]([NH2+]CCC[NH+]1CCCC1)c1ccc2c(c1)OCCCO2 ZINC000192925646 268054378 /nfs/dbraw/zinc/05/43/78/268054378.db2.gz FJFVSPBBKFQPAE-HNNXBMFYSA-N 2 0 304.434 2.984 20 0 DFADRP C[C@H]1CC(C)(C)C[C@@H]1[NH2+]Cc1ccnc(OCC[NH+](C)C)c1 ZINC000193144950 268060210 /nfs/dbraw/zinc/06/02/10/268060210.db2.gz IVGMUVXZTGDSNF-HOCLYGCPSA-N 2 0 305.466 2.936 20 0 DFADRP CC[NH+]1CCC([NH2+]C[C@H](NC(=O)OC(C)(C)C)C(C)C)CC1 ZINC000223641259 268141918 /nfs/dbraw/zinc/14/19/18/268141918.db2.gz XVCYIQIVMKWOPT-HNNXBMFYSA-N 2 0 313.486 2.610 20 0 DFADRP CC(C)C[NH+]1CCC(NC(=O)[C@H]2CCCCCC[C@@H]2[NH3+])CC1 ZINC000236772361 268150474 /nfs/dbraw/zinc/15/04/74/268150474.db2.gz BPGNPUBLSDEHJK-IRXDYDNUSA-N 2 0 309.498 2.521 20 0 DFADRP [NH3+][C@@H]1CCCCCC[C@H]1C(=O)N[C@@H]1CC[N@H+](CC2CCCC2)C1 ZINC000237899196 268161424 /nfs/dbraw/zinc/16/14/24/268161424.db2.gz OSKVMNBUCYTFKT-KZNAEPCWSA-N 2 0 321.509 2.665 20 0 DFADRP COc1ccc(C[NH2+]CC[C@H]2CCC[NH2+]2)cc1Br ZINC000258948128 268168767 /nfs/dbraw/zinc/16/87/67/268168767.db2.gz IKAMZHVFISQYDW-GFCCVEGCSA-N 2 0 313.239 2.689 20 0 DFADRP C[C@H]([NH2+]CCc1ccc(OCC[NH+](C)C)cc1)c1ccccn1 ZINC000270954914 268240008 /nfs/dbraw/zinc/24/00/08/268240008.db2.gz WDWNPKITHSOOHU-INIZCTEOSA-N 2 0 313.445 2.915 20 0 DFADRP C[C@H]([NH2+]C1CC[NH+]([C@H]2CCC[C@@H]2O)CC1)c1cccc(F)c1 ZINC000271440596 268249391 /nfs/dbraw/zinc/24/93/91/268249391.db2.gz CGSKCVBMIKWVRJ-KKXDTOCCSA-N 2 0 306.425 2.854 20 0 DFADRP C[C@@H](CCN1CC[NH+](C)CC1)[NH2+][C@@H]1CCc2c1c(F)ccc2F ZINC000274569107 268257180 /nfs/dbraw/zinc/25/71/80/268257180.db2.gz AQCRERRLMWVELP-SUMWQHHRSA-N 2 0 323.431 2.568 20 0 DFADRP CC(=O)Nc1cccc([C@H](C)[NH2+]C[C@@H]2CCc3nccn3C2)c1 ZINC000277599605 268265430 /nfs/dbraw/zinc/26/54/30/268265430.db2.gz ONDKGUFBSWBPPO-ZFWWWQNUSA-N 2 0 312.417 2.755 20 0 DFADRP CC[C@@H]1[NH2+]CC[C@H]1C(=O)NCc1cccc(C[NH+](CC)CC)c1 ZINC000289935395 268281662 /nfs/dbraw/zinc/28/16/62/268281662.db2.gz LDTHCQBPJFDFSX-MSOLQXFVSA-N 2 0 317.477 2.533 20 0 DFADRP CCC(C)(C)[NH2+][C@H](C)C(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000299272636 268319588 /nfs/dbraw/zinc/31/95/88/268319588.db2.gz UXDQVNFLNYBQHF-GDBMZVCRSA-N 2 0 305.466 2.572 20 0 DFADRP Cn1cnc(CC[NH2+]Cc2cc(F)ccc2Br)c1 ZINC000313279292 268339475 /nfs/dbraw/zinc/33/94/75/268339475.db2.gz CJYPONLEDIPUSL-UHFFFAOYSA-N 2 0 312.186 2.654 20 0 DFADRP C[C@H](c1ccc(OC(F)(F)F)cc1)N1CCCO[C@H](C[NH3+])C1 ZINC000313361454 268339704 /nfs/dbraw/zinc/33/97/04/268339704.db2.gz UJMMYTGJPKKXMB-BXUZGUMPSA-N 2 0 318.339 2.696 20 0 DFADRP CC(C)[N@@H+](Cc1cccs1)C[C@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC000315694351 268343653 /nfs/dbraw/zinc/34/36/53/268343653.db2.gz FAKRXCHMZBWYQT-ROUUACIJSA-N 2 0 318.486 2.889 20 0 DFADRP CCOC(=O)N1CCC([NH2+][C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)CC1 ZINC000321487187 268348650 /nfs/dbraw/zinc/34/86/50/268348650.db2.gz XYFXGBPCZPOPDN-GVDBMIGSSA-N 2 0 323.481 2.508 20 0 DFADRP CC(C)CCC[C@@H](C)NC(=O)C[NH+]1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000321585243 268349111 /nfs/dbraw/zinc/34/91/11/268349111.db2.gz IOQDGFLLDZXNTO-AEFFLSMTSA-N 2 0 323.525 2.781 20 0 DFADRP CON1CCC([NH2+][C@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000323476842 268350261 /nfs/dbraw/zinc/35/02/61/268350261.db2.gz KZSOUEYSDCWUHY-SJLPKXTDSA-N 2 0 317.477 2.512 20 0 DFADRP CCc1noc(C2CCC([NH2+][C@@H](C)[C@H]3CCC[NH2+]C3)CC2)n1 ZINC000333182779 268380185 /nfs/dbraw/zinc/38/01/85/268380185.db2.gz QCJFHAIDAWXEPO-LQULJDIASA-N 2 0 306.454 2.636 20 0 DFADRP CC[NH+](CC)Cc1ccccc1C[NH2+][C@@H](C)C(=O)NCC(C)C ZINC000071124194 425981962 /nfs/dbraw/zinc/98/19/62/425981962.db2.gz QOMQDHHPYZSBTM-INIZCTEOSA-N 2 0 319.493 2.779 20 0 DFADRP CCN(CCC[NH+](CC)CC)C(=O)CC1(C[NH3+])CCCCC1 ZINC000336865924 268446248 /nfs/dbraw/zinc/44/62/48/268446248.db2.gz UWWBVTUQEVGNSP-UHFFFAOYSA-N 2 0 311.514 2.866 20 0 DFADRP Cc1nc2ccccn2c1C[N@@H+]1CC[C@H](CNc2ccccn2)C1 ZINC000159237090 425956960 /nfs/dbraw/zinc/95/69/60/425956960.db2.gz XUUMQBIBSWVQPA-MRXNPFEDSA-N 2 0 321.428 2.972 20 0 DFADRP Cc1ccsc1[C@H](C)[NH2+]C[C@@H](C(C)C)N1CC[NH+](C)CC1 ZINC000070091920 425967505 /nfs/dbraw/zinc/96/75/05/425967505.db2.gz BJALEJIUYPHISI-HOTGVXAUSA-N 2 0 309.523 2.979 20 0 DFADRP C[C@@H]([NH2+]CCC1CC[NH+](C)CC1)c1ccc([S@](C)=O)cc1 ZINC000125403283 425969795 /nfs/dbraw/zinc/96/97/95/425969795.db2.gz NCNMSBJTUAOUNJ-SPLOXXLWSA-N 2 0 308.491 2.807 20 0 DFADRP COc1ccnc(CN2CC[NH+](CC3CCCCC3)CC2)c1 ZINC000106860154 425976505 /nfs/dbraw/zinc/97/65/05/425976505.db2.gz NWXORCDUSPAQBP-UHFFFAOYSA-N 2 0 303.450 2.788 20 0 DFADRP CC(C)[N@@H+]1CCC[C@@H](CNC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC000161542907 426028190 /nfs/dbraw/zinc/02/81/90/426028190.db2.gz DKUHRXLMQFWSGK-KRWDZBQOSA-N 2 0 317.477 2.598 20 0 DFADRP CC(C)[C@@H](C(=O)Nc1ccc(C[NH+]2CCCC2)cc1)[NH+](C)C ZINC000161662452 426034209 /nfs/dbraw/zinc/03/42/09/426034209.db2.gz IKUHIBYKFSQFBP-KRWDZBQOSA-N 2 0 303.450 2.807 20 0 DFADRP CCC[C@@H](C(=O)NCC[C@@H](C)[N@H+](C)Cc1ccccc1)[NH+](C)C ZINC000126862778 426039613 /nfs/dbraw/zinc/03/96/13/426039613.db2.gz XZNVIYLWOIYTDO-AEFFLSMTSA-N 2 0 319.493 2.744 20 0 DFADRP CCC[C@@H](C(=O)NC[C@H](c1ccco1)[NH+](CC)CC)[NH+](C)C ZINC000161805907 426039622 /nfs/dbraw/zinc/03/96/22/426039622.db2.gz LUWGXJUDMGFAGV-LSDHHAIUSA-N 2 0 309.454 2.509 20 0 DFADRP Cc1nccn1CCCC[NH+]1CCC([NH2+]C2CCCC2)CC1 ZINC000161802866 426039749 /nfs/dbraw/zinc/03/97/49/426039749.db2.gz WORWBZPYPQGSKB-UHFFFAOYSA-N 2 0 304.482 2.968 20 0 DFADRP Cc1nccn1CCCC[NH+]1CCN(Cc2cccs2)CC1 ZINC000162691639 426072532 /nfs/dbraw/zinc/07/25/32/426072532.db2.gz BPPMXWAXOASUTO-UHFFFAOYSA-N 2 0 318.490 2.851 20 0 DFADRP C[C@@H](C[NH2+][C@@H](C)c1ccc(Cl)s1)N1CC[NH+](C)CC1 ZINC000127418593 426066276 /nfs/dbraw/zinc/06/62/76/426066276.db2.gz HVOZUIMGZHBMKB-RYUDHWBXSA-N 2 0 301.887 2.688 20 0 DFADRP Cc1cc(C)c([C@H](C)[NH2+]C[C@@H](C)N2CC[NH+](C)CC2)cc1C ZINC000127812528 426087904 /nfs/dbraw/zinc/08/79/04/426087904.db2.gz DVAIOIGTGSYUET-MSOLQXFVSA-N 2 0 303.494 2.898 20 0 DFADRP CC(C)[NH2+]C1CCN(C(=O)Nc2cccc(C[NH+](C)C)c2)CC1 ZINC000075956097 426090674 /nfs/dbraw/zinc/09/06/74/426090674.db2.gz DJKPKPWRAFDPLF-UHFFFAOYSA-N 2 0 318.465 2.743 20 0 DFADRP COC(=O)[C@@H](c1ccccc1C)N(C)CCCn1ccnc1C ZINC000163200248 426092289 /nfs/dbraw/zinc/09/22/89/426092289.db2.gz ORTKDZZBWSZQRZ-QGZVFWFLSA-N 2 0 315.417 2.736 20 0 DFADRP C[C@H](C[NH2+]CCN1CCC([NH+](C)C)CC1)c1ccc(F)cc1 ZINC000128015895 426097267 /nfs/dbraw/zinc/09/72/67/426097267.db2.gz NEXGBGRSSGODSG-OAHLLOKOSA-N 2 0 307.457 2.545 20 0 DFADRP CCCC[N@H+](C)CC1CCN(C(=O)[C@H]2CCCC[NH+]2CC)CC1 ZINC000112918567 426097814 /nfs/dbraw/zinc/09/78/14/426097814.db2.gz VGGZMDJXUHMHKD-GOSISDBHSA-N 2 0 323.525 2.831 20 0 DFADRP C[C@@H]([NH2+]CCC[N@@H+]1CCC[C@H](C(N)=O)C1)[C@@H](C)C1CCCCC1 ZINC000128065788 426099959 /nfs/dbraw/zinc/09/99/59/426099959.db2.gz GVSUZWVDCIBOKA-NUJGCVRESA-N 2 0 323.525 2.768 20 0 DFADRP CC(C)[C@@H]([NH2+]CC1CC[NH+](CC(=O)NC(C)(C)C)CC1)C1CC1 ZINC000163543595 426103852 /nfs/dbraw/zinc/10/38/52/426103852.db2.gz NBUFJQCMYKXYSV-GOSISDBHSA-N 2 0 323.525 2.637 20 0 DFADRP C[C@@H]([NH2+][C@@H](C)c1ccc(OCC[NH+](C)C)cc1)c1cnn(C)c1 ZINC000163830916 426109853 /nfs/dbraw/zinc/10/98/53/426109853.db2.gz JIRWXQQJIQEBMX-LSDHHAIUSA-N 2 0 316.449 2.772 20 0 DFADRP CC[C@H](Cc1ccc(C)cc1)[NH2+]CCCN1CCC[N@H+](C)CC1 ZINC000128329347 426113509 /nfs/dbraw/zinc/11/35/09/426113509.db2.gz ZYOVGJHUYYBULC-HXUWFJFHSA-N 2 0 317.521 2.933 20 0 DFADRP C[NH2+]C[C@H](C)C(=O)Nc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000164575466 426116252 /nfs/dbraw/zinc/11/62/52/426116252.db2.gz AAWHNEWITDXDRP-CABCVRRESA-N 2 0 303.450 2.713 20 0 DFADRP CC[C@H]([NH3+])C(=O)NCc1ccc(C[N@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000164840461 426118137 /nfs/dbraw/zinc/11/81/37/426118137.db2.gz RRKSAPWGIXHVFE-DAYGRLMNSA-N 2 0 317.477 2.518 20 0 DFADRP COC[C@H]([NH2+]C[C@@H]1CC[N@H+](CCc2ccccc2)C1)C(C)C ZINC000165329694 426122173 /nfs/dbraw/zinc/12/21/73/426122173.db2.gz IDLCDQKPUQEHLV-OALUTQOASA-N 2 0 304.478 2.812 20 0 DFADRP CC(C)[C@@H](C(=O)NC1CCC([NH+]2CCC(C)CC2)CC1)[NH+](C)C ZINC000128678648 426128401 /nfs/dbraw/zinc/12/84/01/426128401.db2.gz KKOKZPRHXLBHNS-ABHNRTSZSA-N 2 0 323.525 2.732 20 0 DFADRP C[C@H](C(=O)Nc1cccc(C[NH+](C)C)c1)[NH+]1CCCCCC1 ZINC000114235110 426130175 /nfs/dbraw/zinc/13/01/75/426130175.db2.gz PPMNMUKQQJJRNT-OAHLLOKOSA-N 2 0 303.450 2.951 20 0 DFADRP C[C@@H]([NH2+]C(C)(C)CNC(=O)CC1CC[NH2+]CC1)c1ccccc1 ZINC000167620751 426133838 /nfs/dbraw/zinc/13/38/38/426133838.db2.gz SCUPEXVSFOQMNM-OAHLLOKOSA-N 2 0 317.477 2.622 20 0 DFADRP CC(C)[C@@H](C[NH2+]C[C@H](C)c1ccc(F)cc1)N1CC[NH+](C)CC1 ZINC000127578724 426073493 /nfs/dbraw/zinc/07/34/93/426073493.db2.gz JTQQMFVZCLNPFF-QFBILLFUSA-N 2 0 321.484 2.791 20 0 DFADRP C[C@H](C[NH2+][C@@H](C)c1cc2c(s1)CCC2)N1CC[NH+](C)CC1 ZINC000127576150 426074393 /nfs/dbraw/zinc/07/43/93/426074393.db2.gz FOFXBBXZVGSQNX-KGLIPLIRSA-N 2 0 307.507 2.523 20 0 DFADRP Cc1nccn1CCC[N@H+](Cc1ccccc1)[C@@H](CO)C1CC1 ZINC000127613755 426076877 /nfs/dbraw/zinc/07/68/77/426076877.db2.gz NZWHGUVCTLHUNO-IBGZPJMESA-N 2 0 313.445 2.855 20 0 DFADRP C[C@H](C[NH2+][C@@H](C)c1ccc2c(c1)CCCC2)N1CC[NH+](C)CC1 ZINC000127738128 426083913 /nfs/dbraw/zinc/08/39/13/426083913.db2.gz QNSYQDOQHHVCMQ-SJORKVTESA-N 2 0 315.505 2.852 20 0 DFADRP C[C@H]1C[C@H]([NH2+]CC2=CCCOC2)CC[N@@H+]1Cc1ccccc1 ZINC000127762722 426084746 /nfs/dbraw/zinc/08/47/46/426084746.db2.gz XAYKGQKMUMZFIY-QFBILLFUSA-N 2 0 300.446 2.976 20 0 DFADRP CC[NH+](C/C=C/C[N@@H+](CC)C[C@@H]1CCCO1)C[C@@H]1CCCO1 ZINC000114726035 426142412 /nfs/dbraw/zinc/14/24/12/426142412.db2.gz OTQQIHSDVNGQOU-ZBKUBXTQSA-N 2 0 310.482 2.544 20 0 DFADRP Fc1ccc2c(c1)CC[C@H]2[NH2+]C1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000132749313 426171746 /nfs/dbraw/zinc/17/17/46/426171746.db2.gz IODRNEYIJUGZIM-AUUYWEPGSA-N 2 0 318.436 2.904 20 0 DFADRP Cc1ccc([C@H](O)C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)cc1 ZINC000134927683 426199594 /nfs/dbraw/zinc/19/95/94/426199594.db2.gz WOQIXICFMISRIV-MISYRCLQSA-N 2 0 314.473 2.977 20 0 DFADRP C(CC[NH+]1CCOCC12CCC2)CC[N@@H+]1CCOCC12CCC2 ZINC000135498720 426220689 /nfs/dbraw/zinc/22/06/89/426220689.db2.gz CYOATGNFFAQNIN-UHFFFAOYSA-N 2 0 322.493 2.667 20 0 DFADRP C[C@H]1C[C@H](NC[C@@H]2CCC[NH+]2Cc2ccccc2)CC[N@@H+]1C ZINC000119101449 426262524 /nfs/dbraw/zinc/26/25/24/426262524.db2.gz XVZXXVMGTVPMBD-UHOSZYNNSA-N 2 0 301.478 2.723 20 0 DFADRP C[C@H](c1cccc(F)c1)[N@@H+]1CCCC[C@H](N2CCN(C)CC2)C1 ZINC000174903539 426268284 /nfs/dbraw/zinc/26/82/84/426268284.db2.gz NHEWQIQGCLMXTQ-APWZRJJASA-N 2 0 319.468 2.989 20 0 DFADRP COc1ccc(C)cc1[C@H](C)[NH2+]C1CCN(CC[NH+](C)C)CC1 ZINC000150971437 426270593 /nfs/dbraw/zinc/27/05/93/426270593.db2.gz RWYJDSSBTXGCKV-INIZCTEOSA-N 2 0 319.493 2.680 20 0 DFADRP CCC[C@H](C)[C@@H]1CCC[N@@H+]1CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000135331378 426214689 /nfs/dbraw/zinc/21/46/89/426214689.db2.gz UDFFDYXWFBKARI-YJBOKZPZSA-N 2 0 321.509 2.630 20 0 DFADRP C[C@@H](NC[C@H](O)C[NH+]1CCCCC1)c1cc2ccccc2o1 ZINC000151339426 426290259 /nfs/dbraw/zinc/29/02/59/426290259.db2.gz CKDJDGDAKMPFGC-ZBFHGGJFSA-N 2 0 302.418 2.930 20 0 DFADRP [NH3+][C@@H](CC(=O)N1CCC[C@@H]1C[NH+]1CCCCC1)c1ccccc1 ZINC000119544207 426295638 /nfs/dbraw/zinc/29/56/38/426295638.db2.gz UDUFXGAKWDJMLP-MSOLQXFVSA-N 2 0 315.461 2.553 20 0 DFADRP C[C@@H]([NH2+][C@@H](C)c1ccc(OCC[NH+](C)C)cc1)[C@@H]1CCOC1 ZINC000119579001 426298972 /nfs/dbraw/zinc/29/89/72/426298972.db2.gz CMWQUOCAYWLOHO-ZMSDIMECSA-N 2 0 306.450 2.703 20 0 DFADRP C[NH+](C)Cc1cccc(C(=O)NC2CCC(C[NH+](C)C)CC2)c1 ZINC000119870848 426303223 /nfs/dbraw/zinc/30/32/23/426303223.db2.gz XOMHEQWHDSSAJC-UHFFFAOYSA-N 2 0 317.477 2.598 20 0 DFADRP Cc1cc([C@@H](C)[NH2+]CC2CC[NH+](CCO)CC2)cc(C)c1F ZINC000151886088 426317524 /nfs/dbraw/zinc/31/75/24/426317524.db2.gz RQAIGBHDHAYYIK-OAHLLOKOSA-N 2 0 308.441 2.797 20 0 DFADRP CC(C)[C@H](C)[NH2+]CCCN1CC[N@H+](C)C[C@@H]1c1ccccc1 ZINC000151892368 426318025 /nfs/dbraw/zinc/31/80/25/426318025.db2.gz DUOSIYUMEMNATO-PKOBYXMFSA-N 2 0 303.494 2.999 20 0 DFADRP Cc1nc2ccccc2n1CC[NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@@H]1C ZINC000121242016 426328802 /nfs/dbraw/zinc/32/88/02/426328802.db2.gz VXTUSAZGAZKAIE-GRDNDAEWSA-N 2 0 300.450 2.663 20 0 DFADRP CC(C)C[N@@H+]1CCC[C@H](C[NH2+][C@@H]2CCCc3c2cnn3C)C1 ZINC000090585242 426329657 /nfs/dbraw/zinc/32/96/57/426329657.db2.gz DGCWDIYOAZSEMM-NVXWUHKLSA-N 2 0 304.482 2.755 20 0 DFADRP CCC[NH+]1CCN(c2ccccc2C[NH2+]CCCCOC)CC1 ZINC000088682585 426279175 /nfs/dbraw/zinc/27/91/75/426279175.db2.gz UGMFVXWQUIJDSH-UHFFFAOYSA-N 2 0 319.493 2.735 20 0 DFADRP CC(C)C[C@@H](CO)[NH2+][C@@H](C)c1cccc(OCC[NH+](C)C)c1 ZINC000151190483 426282704 /nfs/dbraw/zinc/28/27/04/426282704.db2.gz XGUIPOIWQQOIEK-RDJZCZTQSA-N 2 0 308.466 2.685 20 0 DFADRP C[NH+](C)Cc1cccc(NC(=O)N[C@@H]2CCC[C@@H]([NH+](C)C)C2)c1 ZINC000175159247 426283546 /nfs/dbraw/zinc/28/35/46/426283546.db2.gz DGLOUKJZKXPCBF-IAGOWNOFSA-N 2 0 318.465 2.743 20 0 DFADRP C[C@@H](c1ccccc1Cl)[N@H+](C)CCCN1CC[NH+](C)CC1 ZINC000122855752 426398505 /nfs/dbraw/zinc/39/85/05/426398505.db2.gz NJDQUUKENZBQPY-HNNXBMFYSA-N 2 0 309.885 2.970 20 0 DFADRP C[NH+](C)CCCN(CCC[NH+](C)C)c1nc2cc(F)ccc2o1 ZINC000176668921 426403159 /nfs/dbraw/zinc/40/31/59/426403159.db2.gz OWMJISDKSCOEBO-UHFFFAOYSA-N 2 0 322.428 2.677 20 0 DFADRP CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)[C@@H](C(C)C)[NH+](C)C ZINC000153743829 426403278 /nfs/dbraw/zinc/40/32/78/426403278.db2.gz KIHQZDAXGCJRCU-GOSISDBHSA-N 2 0 319.493 2.683 20 0 DFADRP CC[N@@H+]1CC[C@H]([NH2+]CCCN2CCc3ccccc32)[C@H](C)C1 ZINC000121492418 426346589 /nfs/dbraw/zinc/34/65/89/426346589.db2.gz VJZJJRLEVKAFEI-AEFFLSMTSA-N 2 0 301.478 2.759 20 0 DFADRP CC1CCC(C[NH+]2CCN(C[C@H]3CCCC[N@@H+]3C)CC2)CC1 ZINC000093148365 426355162 /nfs/dbraw/zinc/35/51/62/426355162.db2.gz ZKDWJCKFTDHYCQ-CTWPCTMYSA-N 2 0 307.526 2.915 20 0 DFADRP CC(C)N(C)C(=O)[C@@H](C)[NH+]1CCC(CCC[NH+]2CCCC2)CC1 ZINC000122045072 426357420 /nfs/dbraw/zinc/35/74/20/426357420.db2.gz LDHUJSFAICKUCQ-QGZVFWFLSA-N 2 0 323.525 2.830 20 0 DFADRP C[C@@H]([NH2+]C[C@H](C)CN1CCOCC1)c1ccc2c(c1)CCC2 ZINC000153168016 426373634 /nfs/dbraw/zinc/37/36/34/426373634.db2.gz LGVMPLHDSODNHZ-JKSUJKDBSA-N 2 0 302.462 2.794 20 0 DFADRP C[C@@H]1C[C@H](NCc2ccnc(OC3CCCC3)c2)CC[N@@H+]1C ZINC000153333638 426380241 /nfs/dbraw/zinc/38/02/41/426380241.db2.gz IOYCAXGECWTCIQ-GDBMZVCRSA-N 2 0 303.450 2.975 20 0 DFADRP C[C@H]1CN(Cc2ccccc2)C[C@@H]1[NH2+][C@@H]1CCCC[C@@H]1CO ZINC000153790435 426406400 /nfs/dbraw/zinc/40/64/00/426406400.db2.gz LFWSJHCFELKHSA-AITUJVMLSA-N 2 0 302.462 2.648 20 0 DFADRP COC[C@H]([NH2+]Cc1cccc(CN2CCO[C@H](C)C2)c1)C(C)C ZINC000153492177 426388794 /nfs/dbraw/zinc/38/87/94/426388794.db2.gz PKTMBTXTGPBYKO-APWZRJJASA-N 2 0 320.477 2.668 20 0 DFADRP C[C@H]1C[N@H+](C)CC[C@@H]1[NH2+]CC1(c2ccccc2)CCOCC1 ZINC000153609007 426393918 /nfs/dbraw/zinc/39/39/18/426393918.db2.gz JQSXHZMOYIWEOC-WMZOPIPTSA-N 2 0 302.462 2.665 20 0 DFADRP Clc1cnccc1N1CCCN(Cc2cscn2)CC1 ZINC000176915732 426424067 /nfs/dbraw/zinc/42/40/67/426424067.db2.gz QAYYMXHOTFEPPW-UHFFFAOYSA-N 2 0 308.838 2.904 20 0 DFADRP C[C@@H](C(=O)NC1CCCCC1)[NH+]1CCC(CCC[NH+](C)C)CC1 ZINC000123331312 426427919 /nfs/dbraw/zinc/42/79/19/426427919.db2.gz SJROYWPDJZSERG-INIZCTEOSA-N 2 0 323.525 2.878 20 0 DFADRP CC[C@H]([NH2+]CCCN1CC[NH+](CC)CC1)c1ccc(F)cc1 ZINC000154312670 426435578 /nfs/dbraw/zinc/43/55/78/426435578.db2.gz MQEPNGKVSKOOSE-SFHVURJKSA-N 2 0 307.457 2.894 20 0 DFADRP C[C@@H]1CCC[C@@H](C)N1C(=O)C[NH+]1CCC(CCC[NH+](C)C)CC1 ZINC000123532451 426438844 /nfs/dbraw/zinc/43/88/44/426438844.db2.gz VSFMWFZQUKTPTC-IAGOWNOFSA-N 2 0 323.525 2.830 20 0 DFADRP CC(C)[C@H](CCO)[NH2+][C@@H](C)c1cccc(OCC[NH+](C)C)c1 ZINC000123584404 426441908 /nfs/dbraw/zinc/44/19/08/426441908.db2.gz VLNQQCVIKDRWGE-YJBOKZPZSA-N 2 0 308.466 2.685 20 0 DFADRP COc1ccc(C[C@@H](C)C[N@@H+]2CC[C@@]3(CC[NH2+]C3)C2)cc1F ZINC000340698428 269000987 /nfs/dbraw/zinc/00/09/87/269000987.db2.gz OUYWQBGIXIOBOE-RDTXWAMCSA-N 2 0 306.425 2.698 20 0 DFADRP CC(C)[C@@H](C(=O)N1CCC[C@@H]([NH+]2CCCC2)C1)[NH+]1CCCCC1 ZINC000341000020 269035866 /nfs/dbraw/zinc/03/58/66/269035866.db2.gz HIABYDDTUOPNIC-MSOLQXFVSA-N 2 0 321.509 2.584 20 0 DFADRP CC(C)n1ncc2cc(C[NH+]3CCC(C[NH+](C)C)CC3)cnc21 ZINC000341179471 269053653 /nfs/dbraw/zinc/05/36/53/269053653.db2.gz WZDXSWOIRZDHPK-UHFFFAOYSA-N 2 0 315.465 2.786 20 0 DFADRP Cn1cncc1CN(Cc1ccccc1)C[C@@H](O)c1ccco1 ZINC000177161681 426448945 /nfs/dbraw/zinc/44/89/45/426448945.db2.gz CTOHSTPLDMSGRU-QGZVFWFLSA-N 2 0 311.385 2.749 20 0 DFADRP CCc1ccc(C[NH+]2CCN(CC[C@H]3CCC[N@@H+]3C)CC2)s1 ZINC000124251610 426477291 /nfs/dbraw/zinc/47/72/91/426477291.db2.gz VERFZZKXYLIDCD-MRXNPFEDSA-N 2 0 321.534 2.912 20 0 DFADRP C[C@H](C[C@@H]1CCCN1C(=O)OC(C)(C)C)[NH2+]CCC[NH+](C)C ZINC000177482071 426482831 /nfs/dbraw/zinc/48/28/31/426482831.db2.gz MFFKWTOMBMPKEE-CABCVRRESA-N 2 0 313.486 2.706 20 0 DFADRP C[C@H](C[C@H]1CCCN1C(=O)OC(C)(C)C)[NH2+]CCC[NH+](C)C ZINC000177482103 426482934 /nfs/dbraw/zinc/48/29/34/426482934.db2.gz MFFKWTOMBMPKEE-HUUCEWRRSA-N 2 0 313.486 2.706 20 0 DFADRP C[C@@H](C(=O)NCc1cccc(C[NH+](C)C)c1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000101639509 426485574 /nfs/dbraw/zinc/48/55/74/426485574.db2.gz HOSVSTHAZHXAHR-XHSDSOJGSA-N 2 0 317.477 2.626 20 0 DFADRP C[NH+]1CCC(O)(C[NH2+][C@@H]2CC=C(c3ccc(F)cc3)CC2)CC1 ZINC000272359823 426506176 /nfs/dbraw/zinc/50/61/76/426506176.db2.gz PYXUMOGLPUKZRI-GOSISDBHSA-N 2 0 318.436 2.808 20 0 DFADRP Fc1ccc2c(c1)[C@@H]([NH+]1CCC(C[NH+]3CCOCC3)CC1)CC2 ZINC000177704212 426508724 /nfs/dbraw/zinc/50/87/24/426508724.db2.gz WGOVTUMMBSCGKU-IBGZPJMESA-N 2 0 318.436 2.857 20 0 DFADRP CC[C@@H]([NH2+][C@@H](C)CCN1CC[NH+](C)CC1)c1ccccc1OC ZINC000186581315 426554595 /nfs/dbraw/zinc/55/45/95/426554595.db2.gz NDUBQXKZEBQIIR-FUHWJXTLSA-N 2 0 319.493 2.762 20 0 DFADRP C[NH+]1CCC(C)(C[NH2+]Cc2ccnn2-c2ccc(F)cc2)CC1 ZINC000280216431 426522008 /nfs/dbraw/zinc/52/20/08/426522008.db2.gz IOEXTVZRKQZACF-UHFFFAOYSA-N 2 0 316.424 2.833 20 0 DFADRP C[C@H]([NH2+]Cc1ccc(N2CC[NH+](C)CC2)nc1)c1ccsc1 ZINC000177827667 426525886 /nfs/dbraw/zinc/52/58/86/426525886.db2.gz KTDHJQVYRLGJMC-AWEZNQCLSA-N 2 0 316.474 2.746 20 0 DFADRP O[C@H](C[NH2+][C@H]1CC=C(c2ccc(F)cc2)CC1)C[NH+]1CCCC1 ZINC000272526068 426548540 /nfs/dbraw/zinc/54/85/40/426548540.db2.gz OFWIFMROPWQJSJ-RBUKOAKNSA-N 2 0 318.436 2.808 20 0 DFADRP CCOc1cc(C[NH2+]CC2(C)CC[NH+](C)CC2)ccc1OC ZINC000272537029 426552368 /nfs/dbraw/zinc/55/23/68/426552368.db2.gz KQHZYKVUKYADHD-UHFFFAOYSA-N 2 0 306.450 2.915 20 0 DFADRP CC[C@@H]([NH2+][C@@H](C)CCN1CC[NH+](C)CC1)c1ccc(OC)cc1 ZINC000186567963 426552434 /nfs/dbraw/zinc/55/24/34/426552434.db2.gz JUMJRUQGQXXFHM-QFBILLFUSA-N 2 0 319.493 2.762 20 0 DFADRP CCO[C@@H](CC[NH+](C)C)C[NH2+][C@@H](C)c1sccc1OC ZINC000186189452 426492763 /nfs/dbraw/zinc/49/27/63/426492763.db2.gz NWMDERSHDXUYQS-STQMWFEESA-N 2 0 300.468 2.764 20 0 DFADRP CC[NH+]1CCN([C@H](C)C[NH2+][C@@H](C)c2csc(C(C)C)n2)CC1 ZINC000186245345 426497137 /nfs/dbraw/zinc/49/71/37/426497137.db2.gz YCZVFOBTRPGEEC-CABCVRRESA-N 2 0 324.538 2.943 20 0 DFADRP C[C@H](CCc1ccc(F)cc1)[NH2+][C@@H](C)CCN1CC[NH+](C)CC1 ZINC000186577278 426554265 /nfs/dbraw/zinc/55/42/65/426554265.db2.gz YHGUFKWVJMPEGR-SJORKVTESA-N 2 0 321.484 2.762 20 0 DFADRP CC[NH+](CC)[C@@H](C(=O)N(C)CC[N@H+](C)C1CC1)c1ccccc1 ZINC000186781000 426593058 /nfs/dbraw/zinc/59/30/58/426593058.db2.gz ZLUBYXSVKHNLLO-GOSISDBHSA-N 2 0 317.477 2.622 20 0 DFADRP C[C@@H](CCNC(=O)c1sccc1C[NH+](C)C)[NH+]1CCCCC1 ZINC000273110120 426594053 /nfs/dbraw/zinc/59/40/53/426594053.db2.gz AXQOCNPNAMQGNL-AWEZNQCLSA-N 2 0 323.506 2.804 20 0 DFADRP C[NH+]1CCC(O)(C[NH2+][C@@H]2CCCc3c4ccccc4[nH]c32)CC1 ZINC000289166119 426596931 /nfs/dbraw/zinc/59/69/31/426596931.db2.gz HJFILDHZKXIMDG-QGZVFWFLSA-N 2 0 313.445 2.592 20 0 DFADRP C[C@@H]([NH2+]CC1CCOCC1)c1ccc(OCC[NH+](C)C)cc1 ZINC000178278440 426597177 /nfs/dbraw/zinc/59/71/77/426597177.db2.gz MCLVSGDYDROFAI-OAHLLOKOSA-N 2 0 306.450 2.704 20 0 DFADRP Cc1ccncc1CCC[N@H+]1CCCN(C(=O)C(C)C)CC1 ZINC000289181821 426598177 /nfs/dbraw/zinc/59/81/77/426598177.db2.gz SVXRDHKSMMHZEX-UHFFFAOYSA-N 2 0 303.450 2.513 20 0 DFADRP OCCCCCC[N@H+]1C[C@@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000280553755 426598925 /nfs/dbraw/zinc/59/89/25/426598925.db2.gz ULXQPFGKHQIOEJ-KDURUIRLSA-N 2 0 302.462 2.603 20 0 DFADRP C[C@@H]([NH2+]CC1CCOCC1)c1cccc(OCC[NH+](C)C)c1 ZINC000178279893 426599580 /nfs/dbraw/zinc/59/95/80/426599580.db2.gz HEIGYTCLWJIDNP-OAHLLOKOSA-N 2 0 306.450 2.704 20 0 DFADRP CC[C@@H]([NH2+]Cc1cccnc1N1CC[NH+](C)CC1)C(C)(C)C ZINC000289189058 426599777 /nfs/dbraw/zinc/59/97/77/426599777.db2.gz IULSPUISQRBGQU-MRXNPFEDSA-N 2 0 304.482 2.748 20 0 DFADRP COc1cc(C)c([C@H](C)[NH2+]C[C@H](C)N2CC[NH+](C)CC2)cc1C ZINC000273142508 426600051 /nfs/dbraw/zinc/60/00/51/426600051.db2.gz FGZIZTWLZJSVAR-IRXDYDNUSA-N 2 0 319.493 2.599 20 0 DFADRP COc1cc(C)c([C@@H](C)[NH2+]C[C@@H](C)N2CC[NH+](C)CC2)cc1C ZINC000273142506 426600738 /nfs/dbraw/zinc/60/07/38/426600738.db2.gz FGZIZTWLZJSVAR-IAGOWNOFSA-N 2 0 319.493 2.599 20 0 DFADRP C[N@H+](Cc1ccccc1)[C@H](CNC1CC[NH+](C)CC1)C1CC1 ZINC000186880489 426602993 /nfs/dbraw/zinc/60/29/93/426602993.db2.gz GJOPAJJRKOLHIC-LJQANCHMSA-N 2 0 301.478 2.581 20 0 DFADRP C[N@@H+]1CCC[C@H]1CC[NH+]1CCC(O)(Cc2cccc(F)c2)CC1 ZINC000186946749 426611092 /nfs/dbraw/zinc/61/10/92/426611092.db2.gz KRUUJEDPFZQPOR-SFHVURJKSA-N 2 0 320.452 2.679 20 0 DFADRP C([NH+]1CCCC2(CC2)C1)C1(C[N@@H+]2CCCC3(CC3)C2)COC1 ZINC000186981068 426616507 /nfs/dbraw/zinc/61/65/07/426616507.db2.gz PEHQELMKYJKKTP-UHFFFAOYSA-N 2 0 304.478 2.755 20 0 DFADRP Cc1ncc(C[NH2+]CC2([S@](C)=O)CCC2)n1-c1ccccc1 ZINC000280630976 426618290 /nfs/dbraw/zinc/61/82/90/426618290.db2.gz MAVOFIUWIRVKAY-QFIPXVFZSA-N 2 0 317.458 2.572 20 0 DFADRP Cc1ccc([C@@H](C)[NH2+][C@@H](C)CCN2CC[NH+](C)CC2)c(C)c1 ZINC000186589176 426555982 /nfs/dbraw/zinc/55/59/82/426555982.db2.gz QXCRGWSQKXLYGZ-ZWKOTPCHSA-N 2 0 303.494 2.980 20 0 DFADRP Cc1ccc([C@@H](C)[NH2+][C@H](C)CCN2CC[NH+](C)CC2)c(C)c1 ZINC000186589213 426557469 /nfs/dbraw/zinc/55/74/69/426557469.db2.gz QXCRGWSQKXLYGZ-QZTJIDSGSA-N 2 0 303.494 2.980 20 0 DFADRP C[C@@H]1C[N@@H+](CCCC[NH2+][C@@H]2CC(C)(C)OC2(C)C)C[C@H](C)O1 ZINC000178040140 426561436 /nfs/dbraw/zinc/56/14/36/426561436.db2.gz JIIXRNJXOTYWIX-OWCLPIDISA-N 2 0 312.498 2.812 20 0 DFADRP COc1ccc(C)cc1[C@@H](C)[NH2+][C@@H](C)CCN1CC[NH+](C)CC1 ZINC000186603759 426562186 /nfs/dbraw/zinc/56/21/86/426562186.db2.gz GHHBLWPCHASKHD-DLBZAZTESA-N 2 0 319.493 2.680 20 0 DFADRP Cc1nc(C)c([C@@H](C)[NH2+]CCCN2C[C@@H](C)O[C@@H](C)C2)s1 ZINC000178482327 426637504 /nfs/dbraw/zinc/63/75/04/426637504.db2.gz DXNRZVJCCZRKCP-FRRDWIJNSA-N 2 0 311.495 2.910 20 0 DFADRP COc1ccc2c(c1F)CC[C@@H]2[NH2+]C[C@H]1CC[N@@H+](C2CC2)C1 ZINC000289365975 426639026 /nfs/dbraw/zinc/63/90/26/426639026.db2.gz ZRWHGRQXYXBOPY-WBMJQRKESA-N 2 0 304.409 2.896 20 0 DFADRP c1ccc2c(c1)[nH+]ccc2N1CC[NH+](C[C@@H]2CCCCO2)CC1 ZINC000289389530 426645125 /nfs/dbraw/zinc/64/51/25/426645125.db2.gz QTCPHMZWEILXCQ-INIZCTEOSA-N 2 0 311.429 2.926 20 0 DFADRP C[NH+]1CCN(CCC[NH2+][C@@H]2CCCc3c(Cl)cccc32)CC1 ZINC000273374729 426653849 /nfs/dbraw/zinc/65/38/49/426653849.db2.gz GYRVLADBPLVPEH-GOSISDBHSA-N 2 0 321.896 2.945 20 0 DFADRP Cc1ccc(C[N@@H+](C)CCN(C)C2CC[NH+](C)CC2)cc1F ZINC000289460441 426663932 /nfs/dbraw/zinc/66/39/32/426663932.db2.gz OIVVWECJRNYCHR-UHFFFAOYSA-N 2 0 307.457 2.592 20 0 DFADRP CC(C)[N@H+](C)Cc1ccccc1CNC(=O)[C@@]1(C)CCCC[NH2+]1 ZINC000236655898 426670327 /nfs/dbraw/zinc/67/03/27/426670327.db2.gz SFNMAILSCRFBLP-LJQANCHMSA-N 2 0 317.477 2.675 20 0 DFADRP C[C@@H](C[NH2+][C@@H](C)c1nccc2ccccc21)N1CC[NH+](C)CC1 ZINC000289792851 426675817 /nfs/dbraw/zinc/67/58/17/426675817.db2.gz OLVQINZJNYMLCU-HOTGVXAUSA-N 2 0 312.461 2.521 20 0 DFADRP CC(C)[C@H]([NH3+])C(=O)NCc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000236767671 426683786 /nfs/dbraw/zinc/68/37/86/426683786.db2.gz ZFFZQPYGPMZDFI-QAPCUYQASA-N 2 0 317.477 2.518 20 0 DFADRP O=C(Nc1ccc(C[NH+]2CCCCCC2)cc1)[C@]1(F)CC[NH2+]C1 ZINC000178742502 426685844 /nfs/dbraw/zinc/68/58/44/426685844.db2.gz AXRJQXMAHQWQFF-SFHVURJKSA-N 2 0 319.424 2.703 20 0 DFADRP C[C@@H]1C[C@@H]([NH2+]C2CCN(CC[NH+](C)C)CC2)c2ccccc21 ZINC000289301312 426622768 /nfs/dbraw/zinc/62/27/68/426622768.db2.gz SEDZQZFCDHXOCE-DNVCBOLYSA-N 2 0 301.478 2.851 20 0 DFADRP Cc1cc(Cl)ccc1NC(=O)CN1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000227189739 426626938 /nfs/dbraw/zinc/62/69/38/426626938.db2.gz JOGPTBWCGIIPOH-STQMWFEESA-N 2 0 309.841 2.646 20 0 DFADRP C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)C2([NH3+])CCCC2)CC1 ZINC000178769230 426691252 /nfs/dbraw/zinc/69/12/52/426691252.db2.gz QUYXQFCRZWTMSF-HNNXBMFYSA-N 2 0 315.461 2.600 20 0 DFADRP CC[C@H](C)[C@H]([NH3+])C(=O)NC[C@@H](c1ccccc1)[NH+](CC)CC ZINC000237043695 426689216 /nfs/dbraw/zinc/68/92/16/426689216.db2.gz BDWUREOBVUQZRN-XIRDDKMYSA-N 2 0 305.466 2.559 20 0 DFADRP Cc1ccc(C[NH+](C)C)cc1NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000178829415 426703707 /nfs/dbraw/zinc/70/37/07/426703707.db2.gz AQGHLZZXSGASOA-BQFCYCMXSA-N 2 0 315.461 2.916 20 0 DFADRP [NH3+][C@H]1CCC[C@H](C(=O)N2CCC[N@H+](CC3CCCCC3)CC2)C1 ZINC000238033620 426705313 /nfs/dbraw/zinc/70/53/13/426705313.db2.gz RWDLGZZBMOIWAR-ROUUACIJSA-N 2 0 321.509 2.619 20 0 DFADRP CC[N@H+](C)Cc1cccc(C[NH2+][C@@H](COC)C2CCOCC2)c1 ZINC000187961862 426710429 /nfs/dbraw/zinc/71/04/29/426710429.db2.gz BTGBBBSFTZEMTC-IBGZPJMESA-N 2 0 320.477 2.670 20 0 DFADRP C[C@@H]1C[C@H]([NH2+]CCN2CCc3c(Cl)cccc3C2)CC[N@@H+]1C ZINC000187998120 426714586 /nfs/dbraw/zinc/71/45/86/426714586.db2.gz ZQFOZLNKWLNPTI-GDBMZVCRSA-N 2 0 321.896 2.770 20 0 DFADRP C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C[C@@H]([NH3+])c1ccccc1 ZINC000237516665 426692408 /nfs/dbraw/zinc/69/24/08/426692408.db2.gz XZAMSJKPMYJAIV-KYHPRHEASA-N 2 0 317.477 2.559 20 0 DFADRP C[C@H](C[NH2+][C@H]1CCCc2c(Cl)cccc21)N1CC[NH+](C)CC1 ZINC000273620612 426697919 /nfs/dbraw/zinc/69/79/19/426697919.db2.gz YWJBRAQMHNMPPH-KDOFPFPSSA-N 2 0 321.896 2.943 20 0 DFADRP c1cnn(CC[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)c1 ZINC000245766621 426770311 /nfs/dbraw/zinc/77/03/11/426770311.db2.gz WMGSKQVVUIEXJX-LDLYASANSA-N 2 0 310.445 2.668 20 0 DFADRP COc1ccc(OC)c([C@@H]2CCC[N@@H+]2CC2CC[NH2+]CC2)c1 ZINC000178956101 426724878 /nfs/dbraw/zinc/72/48/78/426724878.db2.gz ZSFPQERLRMKYFR-KRWDZBQOSA-N 2 0 304.434 2.840 20 0 DFADRP CCN(CC)CC[N@@H+](Cc1ccccc1)CC1CC[NH2+]CC1 ZINC000178979453 426730385 /nfs/dbraw/zinc/73/03/85/426730385.db2.gz GUPAJRRFEQQGOM-UHFFFAOYSA-N 2 0 303.494 2.830 20 0 DFADRP COc1ccc(C[N@@H+]2CCC[C@H]3C[NH+](C)CC[C@H]32)cc1OC ZINC000290290483 426734528 /nfs/dbraw/zinc/73/45/28/426734528.db2.gz AGRLHUGJRUPLNB-JKSUJKDBSA-N 2 0 304.434 2.620 20 0 DFADRP COc1ccc(C[N@@H+]2CCC[C@@H]3C[NH+](C)CC[C@H]32)cc1OC ZINC000290290481 426735320 /nfs/dbraw/zinc/73/53/20/426735320.db2.gz AGRLHUGJRUPLNB-HZPDHXFCSA-N 2 0 304.434 2.620 20 0 DFADRP CSC1(C[NH2+]CCc2ccc(OCC[NH+](C)C)cc2)CC1 ZINC000290327874 426743860 /nfs/dbraw/zinc/74/38/60/426743860.db2.gz KAYUIABRKHDCAA-UHFFFAOYSA-N 2 0 308.491 2.655 20 0 DFADRP CN(CC[C@H]1CCCC[N@@H+]1C)C[C@@H](O)c1cc(F)ccc1F ZINC000266611345 426748897 /nfs/dbraw/zinc/74/88/97/426748897.db2.gz WPOWTERVGHPWKD-RHSMWYFYSA-N 2 0 312.404 2.804 20 0 DFADRP C([NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1)[C@H]1COC2(CCCCCC2)O1 ZINC000245556314 426750113 /nfs/dbraw/zinc/75/01/13/426750113.db2.gz DFOVEILDPBBDKX-ULQDDVLXSA-N 2 0 308.466 2.669 20 0 DFADRP CC(C)[C@@H](C[NH2+][C@@H](C)c1ccc(Cl)nc1)N1CC[NH+](C)CC1 ZINC000179102330 426751846 /nfs/dbraw/zinc/75/18/46/426751846.db2.gz PIEZMMAKSZQOQO-GOEBONIOSA-N 2 0 324.900 2.658 20 0 DFADRP C[NH+](C)CCCC1CC[NH+](Cc2c[nH]c3nccnc23)CC1 ZINC000290580147 426798280 /nfs/dbraw/zinc/79/82/80/426798280.db2.gz ZKVYXWHHWPZQPU-UHFFFAOYSA-N 2 0 301.438 2.512 20 0 DFADRP COc1ccc(C[N@@H+]2CC[C@@H](C3CC[NH+](C)CC3)C2)c(OC)c1 ZINC000290592405 426801767 /nfs/dbraw/zinc/80/17/67/426801767.db2.gz VJTWROFAVGLQJS-MRXNPFEDSA-N 2 0 318.461 2.868 20 0 DFADRP C[C@@H](c1ccccn1)[NH+]1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000267079257 426820795 /nfs/dbraw/zinc/82/07/95/426820795.db2.gz QKFJJANUJANYHE-BBWFWOEESA-N 2 0 317.477 2.964 20 0 DFADRP CN(CC[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1)c1ccccc1 ZINC000246412700 426829696 /nfs/dbraw/zinc/82/96/96/426829696.db2.gz UXWBQNVHOUAREK-SFHVURJKSA-N 2 0 301.478 2.931 20 0 DFADRP Cc1ccc([C@H]([NH2+]CC2CC[NH+](CCO)CC2)C2CC2)cc1 ZINC000180099815 426836289 /nfs/dbraw/zinc/83/62/89/426836289.db2.gz AFVHYNDBYFXCIA-IBGZPJMESA-N 2 0 302.462 2.740 20 0 DFADRP Cc1ccccc1[C@H]([NH3+])C(=O)NC1CC[NH+](C2CCCC2)CC1 ZINC000295154531 426841002 /nfs/dbraw/zinc/84/10/02/426841002.db2.gz JZNCZVGQLXIKKT-SFHVURJKSA-N 2 0 315.461 2.518 20 0 DFADRP COC(C)(C)C[NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]12 ZINC000180170659 426841966 /nfs/dbraw/zinc/84/19/66/426841966.db2.gz VBDSXHNZKJDUCY-FGTMMUONSA-N 2 0 302.462 2.912 20 0 DFADRP C[C@@H](CCc1ccc(F)cc1)[NH2+]CCN1CC[N@H+](C)C(C)(C)C1 ZINC000282163629 426842317 /nfs/dbraw/zinc/84/23/17/426842317.db2.gz DNOAVYQKRGZLKC-INIZCTEOSA-N 2 0 321.484 2.762 20 0 DFADRP Cc1ccc2c(c1)[C@H]([NH2+]C[C@H](O)C[NH+]1CCCCC1)[C@@H](C)C2 ZINC000180211280 426843692 /nfs/dbraw/zinc/84/36/92/426843692.db2.gz WQWNLADBUPLRFU-VDZJLULYSA-N 2 0 302.462 2.665 20 0 DFADRP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCC1OCCCO1 ZINC000274836989 426847101 /nfs/dbraw/zinc/84/71/01/426847101.db2.gz NNOPFTOAAJCQEX-WMZOPIPTSA-N 2 0 318.461 2.640 20 0 DFADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+][C@H]1CCCN(Cc2ccccc2)C1 ZINC000246626402 426852061 /nfs/dbraw/zinc/85/20/61/426852061.db2.gz FHNBUZSPLKENFS-IZBJGVDFSA-N 2 0 315.505 2.969 20 0 DFADRP C[N@@H+]1CCN(CC[NH2+][C@@H](c2ccc(F)cc2)C2CC2)CC1(C)C ZINC000282215892 426855037 /nfs/dbraw/zinc/85/50/37/426855037.db2.gz HPNNCBNUXPLLKR-GOSISDBHSA-N 2 0 319.468 2.892 20 0 DFADRP C[NH2+]Cc1ccc(NC(=O)[C@H](C(C)C)[NH+]2CCCCC2)cc1 ZINC000295188892 426856429 /nfs/dbraw/zinc/85/64/29/426856429.db2.gz IPLVYEBDTPZYII-KRWDZBQOSA-N 2 0 303.450 2.855 20 0 DFADRP c1ccc([C@H]2C[C@@H]2[NH+]2CCC(C[NH+]3CCOCC3)CC2)cc1 ZINC000274554754 426791269 /nfs/dbraw/zinc/79/12/69/426791269.db2.gz YMKVGBZZZBJEIX-MOPGFXCFSA-N 2 0 300.446 2.587 20 0 DFADRP CC[NH+]1CCC([NH2+]CCc2cn(C)c3cc(F)ccc23)CC1 ZINC000274579921 426794798 /nfs/dbraw/zinc/79/47/98/426794798.db2.gz CHOKGZFQBQFMDW-UHFFFAOYSA-N 2 0 303.425 2.934 20 0 DFADRP CC[C@@H](C)NC(=O)C[NH+]1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000246088422 426796850 /nfs/dbraw/zinc/79/68/50/426796850.db2.gz UWTSXWOOSUHADI-IAGOWNOFSA-N 2 0 323.525 2.878 20 0 DFADRP CC[N@@H+]1CC[C@@H](NCCC[NH+]2CCc3ccccc3C2)[C@@H](C)C1 ZINC000247189336 426914883 /nfs/dbraw/zinc/91/48/83/426914883.db2.gz VQVPEPVIDAPFJZ-FXAWDEMLSA-N 2 0 315.505 2.755 20 0 DFADRP Cn1cc([C@@H]([NH2+]CC2CC[NH+](C)CC2)c2cccc(F)c2)cn1 ZINC000180459454 426861139 /nfs/dbraw/zinc/86/11/39/426861139.db2.gz QLPIULVDGPVTEB-SFHVURJKSA-N 2 0 316.424 2.580 20 0 DFADRP C[C@@H]1CCC[N@H+](CCCC[NH2+]Cc2c[nH]c3nccnc23)C1 ZINC000290922215 426865781 /nfs/dbraw/zinc/86/57/81/426865781.db2.gz QQRVWJMADSRAKD-CQSZACIVSA-N 2 0 301.438 2.560 20 0 DFADRP C[C@H](C[NH2+]Cc1ccc(-c2cnn(C)c2)s1)C[NH+]1CCCC1 ZINC000282266716 426867088 /nfs/dbraw/zinc/86/70/88/426867088.db2.gz OIGAROBTSKKXNY-CQSZACIVSA-N 2 0 318.490 2.970 20 0 DFADRP C[N@@H+]1CCN(CC[NH2+]Cc2ccc(F)c(Cl)c2)CC1(C)C ZINC000282287579 426871403 /nfs/dbraw/zinc/87/14/03/426871403.db2.gz IQNDLSJZDQUFEC-UHFFFAOYSA-N 2 0 313.848 2.595 20 0 DFADRP COc1ccccc1N1CC[C@H]([NH2+][C@@H]2C[C@@H](C)[N@H+](C)C[C@@H]2C)C1 ZINC000246851220 426872318 /nfs/dbraw/zinc/87/23/18/426872318.db2.gz CAVRXJXFPKIDMT-VVLHAWIVSA-N 2 0 317.477 2.592 20 0 DFADRP C[C@@H]1Cc2ccccc2[C@@H]1[NH2+]CCCC[N@@H+]1CCC[C@@H]1CO ZINC000305125452 426882781 /nfs/dbraw/zinc/88/27/81/426882781.db2.gz KZZOEMBZSFYWSI-SZVBFZGTSA-N 2 0 302.462 2.746 20 0 DFADRP C[C@H](NCC1([NH+](C)C)CCC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000275624879 426883300 /nfs/dbraw/zinc/88/33/00/426883300.db2.gz AMDSKGAELZNUAF-HKUYNNGSSA-N 2 0 315.505 2.971 20 0 DFADRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+][C@@H]1CC[C@@H](c2ccccc2)C1 ZINC000275626398 426883670 /nfs/dbraw/zinc/88/36/70/426883670.db2.gz ANBMEGKGPSJJEX-MISYRCLQSA-N 2 0 315.505 2.938 20 0 DFADRP Cc1n[nH]cc1C[N@H+](Cc1ccsc1)[C@@H]1CC12CC[NH2+]CC2 ZINC000275681509 426894474 /nfs/dbraw/zinc/89/44/74/426894474.db2.gz MIVQMYCCTWTTTP-MRXNPFEDSA-N 2 0 316.474 2.924 20 0 DFADRP Cc1ccc(C[NH2+]CCN2CC[N@@H+](C)C(C)(C)C2)cc1Cl ZINC000282399489 426900550 /nfs/dbraw/zinc/90/05/50/426900550.db2.gz POTQQRWKKNWXAO-UHFFFAOYSA-N 2 0 309.885 2.764 20 0 DFADRP CC[N@@H+]1CC[C@H]([NH2+]CCCN(C)C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000247148855 426908288 /nfs/dbraw/zinc/90/82/88/426908288.db2.gz WVQHQBKHTXNDMW-GJZGRUSLSA-N 2 0 313.486 2.563 20 0 DFADRP CC[N@@H+]1CC[C@@H]([NH2+]Cc2cccc(Cn3ccnc3)c2)[C@@H](C)C1 ZINC000247150318 426912123 /nfs/dbraw/zinc/91/21/23/426912123.db2.gz SWAPUSNEEBBGRG-QFBILLFUSA-N 3 0 312.461 2.751 20 0 DFADRP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+][C@H](C)c1ccc2[nH]c(=O)[nH]c2c1 ZINC000321015854 426965552 /nfs/dbraw/zinc/96/55/52/426965552.db2.gz UARRBHPUMCBSLK-UMVBOHGHSA-N 2 0 316.449 2.818 20 0 DFADRP CC[N@@H+]1CC[C@H]([NH2+]CCCCNC(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000248391054 426994866 /nfs/dbraw/zinc/99/48/66/426994866.db2.gz BWUFWDUUQMWKBK-GJZGRUSLSA-N 2 0 313.486 2.611 20 0 DFADRP Cn1nccc1C1=C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cccc2nccn21 ZINC000283047686 426940521 /nfs/dbraw/zinc/94/05/21/426940521.db2.gz OMOVICGPTUCYSP-CVEARBPZSA-N 2 0 319.412 2.888 20 0 DFADRP CCCC[C@H](COC)[NH2+]Cc1ccccc1C[N@@H+]1CC[C@@H](O)C1 ZINC000248445960 427000168 /nfs/dbraw/zinc/00/01/68/427000168.db2.gz MTGFCVJDNCJHMM-RTBURBONSA-N 2 0 320.477 2.548 20 0 DFADRP c1cc(N2CCC(C[NH2+][C@H]3CCOC4(CCC4)C3)CC2)cc[nH+]1 ZINC000295557351 427006668 /nfs/dbraw/zinc/00/66/68/427006668.db2.gz YWCKTJFMABFUMQ-KRWDZBQOSA-N 2 0 315.461 2.989 20 0 DFADRP C[C@H](C[NH2+][C@H](C)[C@@H]1C[C@H]1c1ccccc1)CN1CCOCC1 ZINC000283394693 427008592 /nfs/dbraw/zinc/00/85/92/427008592.db2.gz PWIDXDVNEFCIPZ-FPAYPSAMSA-N 2 0 302.462 2.737 20 0 DFADRP CC(C)[NH+]1CCC(O)(C[NH2+]Cc2ccc3ncccc3c2)CC1 ZINC000268441394 427018506 /nfs/dbraw/zinc/01/85/06/427018506.db2.gz RKXMNKYTPWCCOB-UHFFFAOYSA-N 2 0 313.445 2.560 20 0 DFADRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+][C@@H](C)[C@@H]1C[C@H]1c1ccccc1 ZINC000283506316 427025430 /nfs/dbraw/zinc/02/54/30/427025430.db2.gz ZDYXUIQTVIIMCP-UMGGQSCQSA-N 2 0 315.505 2.794 20 0 DFADRP C[C@@H]1C[C@H](C)C[N@@H+](CCC[NH2+][C@H]2[C@H]3CCO[C@H]3C23CCC3)C1 ZINC000248737801 427038106 /nfs/dbraw/zinc/03/81/06/427038106.db2.gz OZWVFRDXBJXSTR-MDMSPXHWSA-N 2 0 306.494 2.902 20 0 DFADRP O[C@@H](CCc1ccccc1)C[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000182243775 427039541 /nfs/dbraw/zinc/03/95/41/427039541.db2.gz ZGRBVFMQLKIXHL-FQEVSTJZSA-N 2 0 316.489 2.788 20 0 DFADRP C[N@@H+]1CCC[C@@H]1CC[NH2+][C@H]1CCO[C@H]1c1ccc(F)c(F)c1 ZINC000248999723 427072461 /nfs/dbraw/zinc/07/24/61/427072461.db2.gz IGFWWKGRKATDMT-COXVUDFISA-N 2 0 310.388 2.869 20 0 DFADRP C[C@@H](CCCC[NH3+])NC(=O)c1oc2ccccc2c1C[NH+](C)C ZINC000292058410 427074582 /nfs/dbraw/zinc/07/45/82/427074582.db2.gz JWYDGYUUIXINPR-ZDUSSCGKSA-N 2 0 317.433 2.742 20 0 DFADRP C[C@@H]([NH3+])[C@@H](C)C(=O)NCc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000249060672 427081738 /nfs/dbraw/zinc/08/17/38/427081738.db2.gz PFMJNQKMGBDBDS-BZUAXINKSA-N 2 0 317.477 2.518 20 0 DFADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@]2(O)CCC[C@@H](C(F)(F)F)C2)[C@H](C)C1 ZINC000249173288 427094919 /nfs/dbraw/zinc/09/49/19/427094919.db2.gz CUHUBMIIIGKSTI-KBXIAJHMSA-N 2 0 322.415 2.790 20 0 DFADRP CC(C)[C@H](O)C[N@H+](C)[C@@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000283906180 427095457 /nfs/dbraw/zinc/09/54/57/427095457.db2.gz JPARRJJJKHBHDW-QXAKKESOSA-N 2 0 304.478 2.988 20 0 DFADRP CCO[C@@H](CC[NH+](C)C)C[NH2+][C@H]1CCCc2c(O)cccc21 ZINC000283949873 427103986 /nfs/dbraw/zinc/10/39/86/427103986.db2.gz FRPVXAWRQZFGEB-YOEHRIQHSA-N 2 0 306.450 2.716 20 0 DFADRP C[C@H]1CCC[N@H+](CC(=O)NC[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC000249282430 427104702 /nfs/dbraw/zinc/10/47/02/427104702.db2.gz HCCWLAYELHOBGS-FUHWJXTLSA-N 2 0 317.477 2.528 20 0 DFADRP CC(C)[C@H](C[NH2+][C@@H]1CCc2c1cccc2F)N1CC[NH+](C)CC1 ZINC000268731136 427107398 /nfs/dbraw/zinc/10/73/98/427107398.db2.gz AIKVZLFCHOMCKO-MOPGFXCFSA-N 2 0 319.468 2.675 20 0 DFADRP Cc1ccccc1[C@H]([NH3+])C(=O)NC[C@@H](C1CCCCC1)[NH+](C)C ZINC000296196424 427108874 /nfs/dbraw/zinc/10/88/74/427108874.db2.gz YUZMCQLOKKDALX-ROUUACIJSA-N 2 0 317.477 2.622 20 0 DFADRP CC[N@@H+]1CC[C@H](C[NH2+][C@H](C)c2cc(OC)c(OC)c(OC)c2)C1 ZINC000249378408 427110278 /nfs/dbraw/zinc/11/02/78/427110278.db2.gz NTMWTVNGMUTSCV-ZIAGYGMSSA-N 2 0 322.449 2.705 20 0 DFADRP C[C@H]([NH2+]CC1CC[NH+](Cc2ccccc2)CC1)c1nccn1C ZINC000182606018 427110737 /nfs/dbraw/zinc/11/07/37/427110737.db2.gz SWNHQNFEORULHN-INIZCTEOSA-N 2 0 312.461 2.983 20 0 DFADRP COCC[N@H+](C)CCC[NH2+][C@@H](C)[C@@H](C)c1ccc(OC)cc1 ZINC000268790962 427116253 /nfs/dbraw/zinc/11/62/53/427116253.db2.gz CZPNLEROKAVXGQ-CVEARBPZSA-N 2 0 308.466 2.745 20 0 DFADRP Cc1cc(N[C@@H](C)C[NH+]2CCN(C)CC2)c2cc(F)ccc2[nH+]1 ZINC000268793007 427117627 /nfs/dbraw/zinc/11/76/27/427117627.db2.gz GZLGMHHPCPZORY-AWEZNQCLSA-N 2 0 316.424 2.730 20 0 DFADRP C[C@H](Cn1ccnc1)[NH2+][C@H](C)c1ccc(OCC[NH+](C)C)cc1 ZINC000268815564 427124830 /nfs/dbraw/zinc/12/48/30/427124830.db2.gz MGVIKYQHIMUPBH-HZPDHXFCSA-N 2 0 316.449 2.563 20 0 DFADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1N[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000268876759 427137736 /nfs/dbraw/zinc/13/77/36/427137736.db2.gz IYVWDGMMYJXDNR-JYBIWHBTSA-N 2 0 315.505 2.969 20 0 DFADRP C[C@H](O)C[NH+]1CCC(C[N@H+](C)CCCc2cccc(F)c2)CC1 ZINC000182752672 427138948 /nfs/dbraw/zinc/13/89/48/427138948.db2.gz BHSSLJNLYZRYRX-INIZCTEOSA-N 2 0 322.468 2.783 20 0 DFADRP C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)c1ccc(C[NH+](C)C)cc1 ZINC000249747254 427142544 /nfs/dbraw/zinc/14/25/44/427142544.db2.gz OHDAABJCWFXIJV-HOTGVXAUSA-N 2 0 317.477 2.598 20 0 DFADRP CC[NH+](CC)CCCC1CC[NH+](CC(=O)N2CCCCC2)CC1 ZINC000182786772 427146537 /nfs/dbraw/zinc/14/65/37/427146537.db2.gz MFSUTFTXPFRJCV-UHFFFAOYSA-N 2 0 323.525 2.833 20 0 DFADRP C[C@H](O)C[C@H](C[NH2+][C@@H]1C[C@H](C)[N@H+](C)C[C@@H]1C)c1ccccc1 ZINC000269043757 427150057 /nfs/dbraw/zinc/15/00/57/427150057.db2.gz XWSMGYWBSCPVSD-BEIYGRMHSA-N 2 0 304.478 2.859 20 0 DFADRP C1C[C@@H]2C[C@@H]([NH2+][C@H]3CCOC4(CCSCC4)C3)CC[N@@H+]2C1 ZINC000251086238 427157908 /nfs/dbraw/zinc/15/79/08/427157908.db2.gz HTSVJADNNBVBQV-HRCADAONSA-N 2 0 310.507 2.648 20 0 DFADRP CCc1ccc([C@@H](C)[NH2+]C[C@@H](C)CN2CC[NH+](C)CC2)s1 ZINC000121074243 271015854 /nfs/dbraw/zinc/01/58/54/271015854.db2.gz GWUDZHXCXNIQSU-HUUCEWRRSA-N 2 0 309.523 2.845 20 0 DFADRP C[C@@H]1C[C@H](N(C)C(=O)Nc2cccc(C[NH+](C)C)c2)CC[N@@H+]1C ZINC000174868286 271141345 /nfs/dbraw/zinc/14/13/45/271141345.db2.gz SPTVYPVPHPOIHJ-RHSMWYFYSA-N 2 0 318.465 2.695 20 0 DFADRP C[C@@H]([NH2+]C1CC1)C(=O)Nc1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000296383450 427164168 /nfs/dbraw/zinc/16/41/68/427164168.db2.gz KPBHIJJKTQKXAV-LSDHHAIUSA-N 2 0 315.461 2.998 20 0 DFADRP CC[N@H+](Cc1ccc(C(=O)NC[C@H]([NH3+])C(C)C)cc1)C(C)C ZINC000269301214 427165345 /nfs/dbraw/zinc/16/53/45/427165345.db2.gz XSZXUKZJLVXFGQ-KRWDZBQOSA-N 2 0 305.466 2.630 20 0 DFADRP CC[C@@H](C[NH2+]C1CC[NH+](C(C)C)CC1)NC(=O)OC(C)(C)C ZINC000227719284 271238394 /nfs/dbraw/zinc/23/83/94/271238394.db2.gz UWXHJJKTWRFLRP-AWEZNQCLSA-N 2 0 313.486 2.752 20 0 DFADRP CC[N@H+](Cc1ccc(C(=O)N2CCC[C@@H](C[NH3+])C2)cc1)C(C)C ZINC000236992781 271243653 /nfs/dbraw/zinc/24/36/53/271243653.db2.gz OOMNYCILZMWGFS-KRWDZBQOSA-N 2 0 317.477 2.728 20 0 DFADRP O[C@H](C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1)c1ccccc1 ZINC000252692419 271267603 /nfs/dbraw/zinc/26/76/03/271267603.db2.gz LVKRIKHFMKWDBV-QXAKKESOSA-N 2 0 300.446 2.669 20 0 DFADRP Cc1cc(C)cc(C[N@@H+](C)CC2CC[NH+](C[C@H](C)O)CC2)c1 ZINC000264380906 271274486 /nfs/dbraw/zinc/27/44/86/271274486.db2.gz OVDBBZFOKWCUMD-KRWDZBQOSA-N 2 0 304.478 2.828 20 0 DFADRP CC[NH+](CC)Cc1ccc(C(=O)N[C@H]2CC[N@H+](C)[C@@H](C)C2)cc1 ZINC000338170972 427167526 /nfs/dbraw/zinc/16/75/26/427167526.db2.gz BKRJRGXPWBVTSX-YJBOKZPZSA-N 2 0 317.477 2.741 20 0 DFADRP C[C@H](Cc1cccc(Cl)c1)[NH2+]C[C@H](O)C[NH+]1CCCCC1 ZINC000282617791 271332269 /nfs/dbraw/zinc/33/22/69/271332269.db2.gz JFWDZBRSIZLXJE-PBHICJAKSA-N 2 0 310.869 2.707 20 0 DFADRP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](CCCn2ccnc2)C1 ZINC000183178757 427217435 /nfs/dbraw/zinc/21/74/35/427217435.db2.gz HDJXZCYHHVSADQ-QZTJIDSGSA-N 2 0 304.482 2.860 20 0 DFADRP c1cn(CCC[N@@H+]2CCC[C@H](C[NH+]3CCCCCC3)C2)cn1 ZINC000183173429 427218037 /nfs/dbraw/zinc/21/80/37/427218037.db2.gz JAPQYAFYLQNJRV-GOSISDBHSA-N 2 0 304.482 2.861 20 0 DFADRP CC[NH+](CC)Cc1ccc(C(=O)NCC[N@H+](CC)C(C)C)cc1 ZINC000338185732 427178733 /nfs/dbraw/zinc/17/87/33/427178733.db2.gz DSIHIOJEVYCUEQ-UHFFFAOYSA-N 2 0 319.493 2.989 20 0 DFADRP c1ccc(C[C@H](N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c2cccnc2)nc1 ZINC000338211720 427194367 /nfs/dbraw/zinc/19/43/67/427194367.db2.gz JINMYVHYTXBXHN-AQNXPRMDSA-N 2 0 322.456 2.977 20 0 DFADRP Cc1[nH+]c2ccccc2c(N2CC[C@H]3OCC[N@@H+](C)[C@H]3C2)c1C ZINC000284936710 427198785 /nfs/dbraw/zinc/19/87/85/427198785.db2.gz JEWQZKXKTKAPFU-ZWKOTPCHSA-N 2 0 311.429 2.761 20 0 DFADRP CC[NH+](CC)Cc1ccc(C(=O)N(C)CC[N@H+](C)C2CC2)cc1 ZINC000338224786 427201001 /nfs/dbraw/zinc/20/10/01/427201001.db2.gz KVEZPMZDMPMPRR-UHFFFAOYSA-N 2 0 317.477 2.695 20 0 DFADRP C[N@@H+]1CCN(CCC[NH+]2CCCCC2)C[C@@H]1Cc1ccccc1 ZINC000284960386 427201452 /nfs/dbraw/zinc/20/14/52/427201452.db2.gz ZVHBOPGGRONZRE-FQEVSTJZSA-N 2 0 315.505 2.721 20 0 DFADRP Cc1cc(N2CC[C@H]3OCC[N@@H+](C)[C@@H]3C2)c2cccc(F)c2n1 ZINC000285133060 427207485 /nfs/dbraw/zinc/20/74/85/427207485.db2.gz SGQLLGYTSIZBRA-IAGOWNOFSA-N 2 0 315.392 2.592 20 0 DFADRP C[N@@H+]1CCC[C@H]2C[NH+](Cc3cc4ccccc4[nH]c3=O)CC[C@H]21 ZINC000253554259 427213346 /nfs/dbraw/zinc/21/33/46/427213346.db2.gz AZUZUBOHKMQSDS-MAUKXSAKSA-N 2 0 311.429 2.857 20 0 DFADRP CC(C)Cn1cc(C[N@@H+]2CC[C@H](CNc3ccccn3)C2)cn1 ZINC000183234099 427229657 /nfs/dbraw/zinc/22/96/57/427229657.db2.gz JUXYSPJHRGTOAY-MRXNPFEDSA-N 2 0 313.449 2.868 20 0 DFADRP COCC[NH+](CCOC)C1CCN(Cc2cccc(C)c2)CC1 ZINC000285453492 427235161 /nfs/dbraw/zinc/23/51/61/427235161.db2.gz JDCCSJCYQRZDHQ-UHFFFAOYSA-N 2 0 320.477 2.554 20 0 DFADRP CC[NH+]1CCN([C@H]2CC[N@H+](C[C@H]3CCCC(F)(F)C3)C2)CC1 ZINC000338309197 427252878 /nfs/dbraw/zinc/25/28/78/427252878.db2.gz UPXWSAMCPRZNPY-HOTGVXAUSA-N 2 0 315.452 2.524 20 0 DFADRP CCC[N@H+](CC)Cc1ccc(C(=O)N[C@@H]2CC[NH2+]C[C@H]2C)cc1 ZINC000277597398 427256044 /nfs/dbraw/zinc/25/60/44/427256044.db2.gz POMGZDYFDWBSIM-CRAIPNDOSA-N 2 0 317.477 2.646 20 0 DFADRP C[NH+](C)CCC[NH2+]C1CCC([N@H+](C)Cc2ccccc2)CC1 ZINC000285519336 427260492 /nfs/dbraw/zinc/26/04/92/427260492.db2.gz DWMHSPQMTGDPFM-UHFFFAOYSA-N 3 0 303.494 2.971 20 0 DFADRP CN(Cc1cc(-c2ccco2)on1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000285535256 427261531 /nfs/dbraw/zinc/26/15/31/427261531.db2.gz PLLMMWHJDGFKLN-YIONKMFJSA-N 2 0 301.390 2.992 20 0 DFADRP C[C@H]([NH2+]CC1CC[NH+](CCO)CC1)c1csc(Cl)c1 ZINC000191272735 427306014 /nfs/dbraw/zinc/30/60/14/427306014.db2.gz AMERCMBUCFVOGJ-NSHDSACASA-N 2 0 302.871 2.756 20 0 DFADRP CC[N@@H+]1CC[C@@H](C[NH2+][C@@H](C)Cc2ccc(OC)c(OC)c2C)C1 ZINC000285744916 427325103 /nfs/dbraw/zinc/32/51/03/427325103.db2.gz RIZZBIQRGBBLIU-HOCLYGCPSA-N 2 0 320.477 2.875 20 0 DFADRP C[C@H](C[NH2+]Cc1ccc(C2CCC2)cc1)N1CC[NH+](C)CC1 ZINC000293472244 427334427 /nfs/dbraw/zinc/33/44/27/427334427.db2.gz FBTJNRKVXQPUKB-MRXNPFEDSA-N 2 0 301.478 2.680 20 0 DFADRP CC[N@H+](C)C[C@H]1CCN(Cc2ccc(N(C)C(C)C)nc2)C1 ZINC000191419694 427345932 /nfs/dbraw/zinc/34/59/32/427345932.db2.gz VTCOQHDSCBIUDF-QGZVFWFLSA-N 2 0 304.482 2.700 20 0 DFADRP C[C@H](c1ccc2ccccc2c1)[N@@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000261970077 427346515 /nfs/dbraw/zinc/34/65/15/427346515.db2.gz YVRCVRMYCMHWHP-UZLBHIALSA-N 2 0 309.457 2.880 20 0 DFADRP CC1CC[NH+](CCCCNC(=O)[C@@H]2C[C@H]3CCCC[C@H]3[NH2+]2)CC1 ZINC000262088555 427349743 /nfs/dbraw/zinc/34/97/43/427349743.db2.gz CDAGZPQVRDFXTI-KURKYZTESA-N 2 0 321.509 2.535 20 0 DFADRP C[C@@]1(C[N@@H+]2CCC[C@H]2c2ccc3c(c2)OCCO3)CC[NH2+]C1 ZINC000262107660 427350899 /nfs/dbraw/zinc/35/08/99/427350899.db2.gz WEIMWFLUMREVIF-MAUKXSAKSA-N 2 0 302.418 2.594 20 0 DFADRP C[C@H]1COCC[C@@H]1[NH2+]Cc1ccc(OCCC[NH+](C)C)cc1 ZINC000191750951 427418555 /nfs/dbraw/zinc/41/85/55/427418555.db2.gz PURPOGIAFWHNPS-YJBOKZPZSA-N 2 0 306.450 2.532 20 0 DFADRP CC[N@H+](Cc1ccc(C(=O)N[C@@H]2CC[NH2+][C@H](C)C2)cc1)C(C)C ZINC000262973316 427387198 /nfs/dbraw/zinc/38/71/98/427387198.db2.gz XVBMIXOCBTUVJY-CRAIPNDOSA-N 2 0 317.477 2.787 20 0 DFADRP CCOC(=O)[C@@H]1CC[C@@H]([NH2+]C[C@@H](C)C[NH+](C)C)c2ccccc21 ZINC000293639855 427389909 /nfs/dbraw/zinc/38/99/09/427389909.db2.gz KQOGTJSKKRTMDO-ZTFGCOKTSA-N 2 0 318.461 2.956 20 0 DFADRP Cc1ccc(C[C@H]([NH2+][C@H]2CCCN(CCCO)C2)C2CC2)cc1 ZINC000297297847 427391817 /nfs/dbraw/zinc/39/18/17/427391817.db2.gz MCLHZPNEYDSPOB-PMACEKPBSA-N 2 0 316.489 2.753 20 0 DFADRP C[C@H]1CN(Cc2ccccc2)C[C@H]1[NH2+]Cc1ccc2c[nH+]cn2c1 ZINC000297514160 427413237 /nfs/dbraw/zinc/41/32/37/427413237.db2.gz MNEYACUVZHSGMP-OXJNMPFZSA-N 2 0 320.440 2.944 20 0 DFADRP CN(C)[C@H](C[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1)c1ccco1 ZINC000262344839 427355231 /nfs/dbraw/zinc/35/52/31/427355231.db2.gz UUMNQIRABAZFKH-MWDXBVQZSA-N 2 0 305.466 2.783 20 0 DFADRP CCCCNC(=O)[C@@H]1CC[C@@H](C)[N@H+](CCC[NH+](CC)CC)C1 ZINC000191462661 427356864 /nfs/dbraw/zinc/35/68/64/427356864.db2.gz CEDKHAJYSHOWLA-IAGOWNOFSA-N 2 0 311.514 2.735 20 0 DFADRP C[C@H]([NH3+])[C@H](C)C(=O)NCC1([NH2+][C@@H](C)c2ccccc2)CCCC1 ZINC000262521718 427362735 /nfs/dbraw/zinc/36/27/35/427362735.db2.gz IQWNWLNNMBFLOD-JYJNAYRXSA-N 2 0 317.477 2.750 20 0 DFADRP C[C@@H](CC(=O)NCCCC[N@@H+]1CCC[C@@H](C)C1)[C@H]1CCC[NH2+]C1 ZINC000262660475 427367335 /nfs/dbraw/zinc/36/73/35/427367335.db2.gz NNBPLCVQEYLTON-SQNIBIBYSA-N 2 0 323.525 2.641 20 0 DFADRP Cc1ccc([C@H](CCn2cncn2)[NH2+]C[C@H](C)C[NH+](C)C)cc1 ZINC000293815308 427447514 /nfs/dbraw/zinc/44/75/14/427447514.db2.gz VURLOVYLFAAWDA-WMZOPIPTSA-N 2 0 315.465 2.505 20 0 DFADRP COc1ccc(C[C@@H](C)[NH2+][C@@H](C)CC[NH+](C)C)c(C)c1OC ZINC000286222706 427458696 /nfs/dbraw/zinc/45/86/96/427458696.db2.gz SLPMCTYNSQKPBK-UONOGXRCSA-N 2 0 308.466 2.873 20 0 DFADRP COc1ccc(C[C@H](C)[NH2+][C@@H](C)CC[NH+](C)C)c(C)c1OC ZINC000286222699 427458778 /nfs/dbraw/zinc/45/87/78/427458778.db2.gz SLPMCTYNSQKPBK-KBPBESRZSA-N 2 0 308.466 2.873 20 0 DFADRP c1c[nH]c(C2CCN([C@@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)n1 ZINC000271243364 427465197 /nfs/dbraw/zinc/46/51/97/427465197.db2.gz BHNVOZONTNGZTE-GOSISDBHSA-N 2 0 310.445 2.864 20 0 DFADRP C[N@@H+]1CCC[C@@H]2CN([C@@H]3CC[NH+](Cc4ccccc4)C3)CC[C@H]21 ZINC000271252646 427467123 /nfs/dbraw/zinc/46/71/23/427467123.db2.gz FWYBISBXNWNNKW-VAMGGRTRSA-N 2 0 313.489 2.677 20 0 DFADRP C[C@H](CN[C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]12)C[NH+](C)C ZINC000293863077 427469339 /nfs/dbraw/zinc/46/93/39/427469339.db2.gz XVFHAKFZQDITIZ-VBSBHUPXSA-N 2 0 315.505 2.684 20 0 DFADRP C[C@@H]([NH3+])[C@H](C)C(=O)NCc1cccc(C[NH+]2CCCCCC2)c1 ZINC000192104284 427480222 /nfs/dbraw/zinc/48/02/22/427480222.db2.gz ZFVSAWITYFCZNF-JKSUJKDBSA-N 2 0 317.477 2.662 20 0 DFADRP [NH3+]CC1(CC(=O)N2CCC[C@H]2C[NH+]2CCCCC2)CCCCC1 ZINC000184227575 427421339 /nfs/dbraw/zinc/42/13/39/427421339.db2.gz DUMXDAQUHNLKTP-KRWDZBQOSA-N 2 0 321.509 2.763 20 0 DFADRP CC[NH+](CC)CCC[C@H](C)[NH2+]Cc1ccc2c(c1)NC(=O)CO2 ZINC000293744137 427422432 /nfs/dbraw/zinc/42/24/32/427422432.db2.gz XMEDCOMJKWFJCF-AWEZNQCLSA-N 2 0 319.449 2.618 20 0 DFADRP CC[NH+](CC)CCCN1CCC[C@@H](c2nncn2C2CC2)C1 ZINC000191814382 427433661 /nfs/dbraw/zinc/43/36/61/427433661.db2.gz ZRGLKKJRVXTZPR-OAHLLOKOSA-N 2 0 305.470 2.524 20 0 DFADRP O[C@@H](C[NH2+][C@H](Cc1ccccc1Cl)C1CC1)C[NH+]1CCCC1 ZINC000293785117 427436981 /nfs/dbraw/zinc/43/69/81/427436981.db2.gz QJUZPWPPICHSQA-FUHWJXTLSA-N 2 0 322.880 2.707 20 0 DFADRP CCc1nccn1[C@H]1CCC[N@H+](Cc2cnc(N(C)C)s2)C1 ZINC000271191569 427441106 /nfs/dbraw/zinc/44/11/06/427441106.db2.gz PPAGUVLDTLQSKX-ZDUSSCGKSA-N 2 0 319.478 2.805 20 0 DFADRP COc1ccc([C@H](C)[C@@H](C)[NH2+]C[C@@H](C)C[NH+](C)C)cc1OC ZINC000293815205 427447269 /nfs/dbraw/zinc/44/72/69/427447269.db2.gz VTJQGOKTGYZFLS-RBSFLKMASA-N 2 0 308.466 2.983 20 0 DFADRP CC(C)C[N@H+](CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C)C(C)C ZINC000184571354 427490945 /nfs/dbraw/zinc/49/09/45/427490945.db2.gz XZKXUZQDKDDJQP-SFHVURJKSA-N 2 0 319.493 2.772 20 0 DFADRP CCCn1ncnc1CN[C@@H](C)c1cccc(-n2ccnc2)c1 ZINC000279084108 427554434 /nfs/dbraw/zinc/55/44/34/427554434.db2.gz MJQBZACXQOEOIP-AWEZNQCLSA-N 2 0 310.405 2.725 20 0 DFADRP Cc1ccncc1CCC[N@@H+]1CCCNC(=O)[C@@H]1CC(C)C ZINC000293934817 427494038 /nfs/dbraw/zinc/49/40/38/427494038.db2.gz NTHRVALLMWDROL-KRWDZBQOSA-N 2 0 303.450 2.559 20 0 DFADRP CCCC[N@H+](CC)Cc1cccc(CNC(=O)CC[NH2+]C)c1 ZINC000286336342 427497504 /nfs/dbraw/zinc/49/75/04/427497504.db2.gz ZBAGAERUZJNWOC-UHFFFAOYSA-N 2 0 305.466 2.534 20 0 DFADRP CC[NH+](CC)CC1CC[NH+](C[C@@H](O)Cc2ccc(F)cc2)CC1 ZINC000338912716 427554651 /nfs/dbraw/zinc/55/46/51/427554651.db2.gz QUXIWOFVIYSHJF-IBGZPJMESA-N 2 0 322.468 2.783 20 0 DFADRP C[C@H](CCNC(=O)C[C@@H]1CCC[C@H]1[NH3+])[N@H+](C)Cc1ccccc1 ZINC000293977955 427510557 /nfs/dbraw/zinc/51/05/57/427510557.db2.gz BJLANVUHOIHWKB-BPQIPLTHSA-N 2 0 317.477 2.531 20 0 DFADRP C[C@@H](CCNC(=O)C[C@@H]1CCC[C@H]1[NH3+])[N@H+](C)Cc1ccccc1 ZINC000293977968 427511408 /nfs/dbraw/zinc/51/14/08/427511408.db2.gz BJLANVUHOIHWKB-RYQLBKOJSA-N 2 0 317.477 2.531 20 0 DFADRP CC(C)[NH2+]C1CCN([C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000271365955 427511331 /nfs/dbraw/zinc/51/13/31/427511331.db2.gz OHZCSYLRWUCKHI-IBGZPJMESA-N 2 0 301.478 2.723 20 0 DFADRP COc1ccc(C(=O)CCN2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)cc1 ZINC000286411949 427519315 /nfs/dbraw/zinc/51/93/15/427519315.db2.gz LXPCAHNFPQKHMA-FUHWJXTLSA-N 2 0 316.445 2.684 20 0 DFADRP Cn1cncc1CC[N@@H+]1CC[C@H](Oc2ccc(Cl)cc2)C1 ZINC000298109774 427522701 /nfs/dbraw/zinc/52/27/01/427522701.db2.gz OEKOPJHFDDSLKG-INIZCTEOSA-N 2 0 305.809 2.769 20 0 DFADRP C[C@@H](C(=O)Nc1cccc(C[NH+](C)C)c1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000263682140 427539473 /nfs/dbraw/zinc/53/94/73/427539473.db2.gz NRSTZVLDFWDABM-ZNMIVQPWSA-N 2 0 303.450 2.948 20 0 DFADRP C[C@H]([NH2+][C@H]1CCO[C@H](c2cncn2C)C1)c1cncc(F)c1 ZINC000279065576 427546849 /nfs/dbraw/zinc/54/68/49/427546849.db2.gz ZQJBBQORFXIPGE-PJODQICGSA-N 2 0 304.369 2.525 20 0 DFADRP COc1ccc([C@H](OC)[C@H](C)[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000271460830 427547588 /nfs/dbraw/zinc/54/75/88/427547588.db2.gz HGOWKCOHHPTXAJ-KNIMUDFMSA-N 2 0 318.461 2.988 20 0 DFADRP CC(C)Oc1ccc([C@H](CNC2CC[NH+](C)CC2)[NH+](C)C)cc1 ZINC000287002881 427552107 /nfs/dbraw/zinc/55/21/07/427552107.db2.gz KDZRTHNHGSONTG-IBGZPJMESA-N 2 0 319.493 2.760 20 0 DFADRP CC(C)Oc1ccc([C@@H](CNC2CC[NH+](C)CC2)[NH+](C)C)cc1 ZINC000287002882 427553223 /nfs/dbraw/zinc/55/32/23/427553223.db2.gz KDZRTHNHGSONTG-LJQANCHMSA-N 2 0 319.493 2.760 20 0 DFADRP CC[N@H+](C)Cc1cccc(C[NH2+]C2CCN(C3CC3)CC2)c1 ZINC000298447856 427613176 /nfs/dbraw/zinc/61/31/76/427613176.db2.gz NUKBTRRRGASFLT-UHFFFAOYSA-N 2 0 301.478 2.855 20 0 DFADRP Cc1ccnc(C)c1NC(=O)NCC[N@@H+](C)Cc1ccccc1 ZINC000287457930 427616532 /nfs/dbraw/zinc/61/65/32/427616532.db2.gz INMJCGVHWICLDX-UHFFFAOYSA-N 2 0 312.417 2.952 20 0 DFADRP C[C@H]1COCC[C@@H]1[NH2+]C[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000192536422 427560889 /nfs/dbraw/zinc/56/08/89/427560889.db2.gz DGNUVCQUAIFKPL-WDSOQIARSA-N 2 0 302.462 2.566 20 0 DFADRP COC(=O)Nc1ccc(CC[NH2+][C@@H]2C[C@@H](C)[N@H+](C)C[C@H]2C)cc1 ZINC000271508444 427562419 /nfs/dbraw/zinc/56/24/19/427562419.db2.gz OKDAETBTRUAMDB-CKEIUWERSA-N 2 0 319.449 2.726 20 0 DFADRP CCc1cc(N)nc(SCc2ncc(C)c(OC)c2C)n1 ZINC000279138919 427573025 /nfs/dbraw/zinc/57/30/25/427573025.db2.gz XUXIOHHGLNECNV-UHFFFAOYSA-N 2 0 304.419 2.934 20 0 DFADRP Cc1ccccc1[C@H](O)C[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000298324565 427573396 /nfs/dbraw/zinc/57/33/96/427573396.db2.gz INVUBPBPSBAROW-LJQANCHMSA-N 2 0 311.429 2.682 20 0 DFADRP CCC[N@@H+]1CC[C@H](C[NH2+][C@@H](C)c2cccc(-n3ccnn3)c2)C1 ZINC000287308311 427574032 /nfs/dbraw/zinc/57/40/32/427574032.db2.gz CVEKPHOUQDBTRH-JKSUJKDBSA-N 2 0 313.449 2.650 20 0 DFADRP C[C@@H]1C[C@@H](C[NH2+][C@H]2CC(C)(C)Oc3ccc(N)cc32)CC[NH2+]1 ZINC000332311828 427576363 /nfs/dbraw/zinc/57/63/63/427576363.db2.gz GXLXMCPNFOCTQE-WWGRRREGSA-N 2 0 303.450 2.849 20 0 DFADRP CCC[C@@H]([NH2+]CCCN1CC[NH+](CC)CC1)c1cccnc1 ZINC000185013671 427577437 /nfs/dbraw/zinc/57/74/37/427577437.db2.gz FGRJIBFZROMSHS-GOSISDBHSA-N 2 0 304.482 2.540 20 0 DFADRP COc1ccc(OCCC[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc1 ZINC000192728302 427595970 /nfs/dbraw/zinc/59/59/70/427595970.db2.gz WCMGVODDZOCAJE-MQVJKMGUSA-N 2 0 304.434 2.679 20 0 DFADRP CCOc1cc(CN[C@@H](C)CC[NH+](C)C)cc(Cl)c1O ZINC000298481449 427623956 /nfs/dbraw/zinc/62/39/56/427623956.db2.gz PLIQUQHOBPPOFU-NSHDSACASA-N 2 0 300.830 2.874 20 0 DFADRP CN(C)c1ncccc1O[C@@H]1CC[N@H+](C[C@H]2CCC(C)(C)O2)C1 ZINC000298497316 427629672 /nfs/dbraw/zinc/62/96/72/427629672.db2.gz JWUDKZJRTRKVTI-HUUCEWRRSA-N 2 0 319.449 2.558 20 0 DFADRP CC[N@H+](C)C[C@H]1CC[NH+](C[C@H](O)Cc2cccc(Cl)c2)C1 ZINC000287550500 427633536 /nfs/dbraw/zinc/63/35/36/427633536.db2.gz AQYLWWUHHPEZAK-NVXWUHKLSA-N 2 0 310.869 2.517 20 0 DFADRP COC(=O)Nc1cccc(C[NH2+][C@@H]2C[C@H](C)[N@H+](C)C[C@@H]2C)c1 ZINC000287543592 427634053 /nfs/dbraw/zinc/63/40/53/427634053.db2.gz PLTGLAQKEAVMAE-HEHGZKQESA-N 2 0 305.422 2.683 20 0 DFADRP C([NH2+][C@@H]1CCCC12CCCCC2)c1nnc(C2CC[NH2+]CC2)[nH]1 ZINC000333559872 427650180 /nfs/dbraw/zinc/65/01/80/427650180.db2.gz KTSUGKVYFQZFAY-OAHLLOKOSA-N 2 0 317.481 2.864 20 0 DFADRP C[C@@H]([NH2+]Cc1nnc(C2CC[NH2+]CC2)[nH]1)[C@H]1CCCC[C@H]1C ZINC000333576715 427652926 /nfs/dbraw/zinc/65/29/26/427652926.db2.gz NFIHSRMNLPDRNZ-NFAWXSAZSA-N 2 0 305.470 2.576 20 0 DFADRP CN(CC[NH2+]C1CCN(c2cc[nH+]cc2)CC1)Cc1ccccc1 ZINC000298574223 427653155 /nfs/dbraw/zinc/65/31/55/427653155.db2.gz XHXJSOZDQNDCMX-UHFFFAOYSA-N 3 0 324.472 2.772 20 0 DFADRP CCSc1cccc(C[NH2+]C2CCN(CC[NH+](C)C)CC2)c1 ZINC000185462748 427656516 /nfs/dbraw/zinc/65/65/16/427656516.db2.gz RUBUIUQJNQBNRF-UHFFFAOYSA-N 2 0 321.534 2.914 20 0 DFADRP CC(C)(C)c1cn2c(n1)CC[C@H]([NH2+][C@@H]1CC[N@@H+]3CCC[C@H]3C1)C2 ZINC000339068045 427659458 /nfs/dbraw/zinc/65/94/58/427659458.db2.gz JLUJRBNEGDCODF-PMPSAXMXSA-N 2 0 316.493 2.712 20 0 DFADRP Cc1[nH+]ccc(N2CCC([C@H]3OCCC[C@H]3[NH3+])CC2)c1Cl ZINC000333630041 427662069 /nfs/dbraw/zinc/66/20/69/427662069.db2.gz GLOJDJDEDQDGKI-CZUORRHYSA-N 2 0 309.841 2.766 20 0 DFADRP Cc1ccccc1C[C@H]([NH2+]C[C@@H](O)C[NH+]1CCCCC1)C1CC1 ZINC000342687608 272041148 /nfs/dbraw/zinc/04/11/48/272041148.db2.gz RTXHPOBPCYSTDN-UXHICEINSA-N 2 0 316.489 2.753 20 0 DFADRP CCC[NH+]1CCC(C[NH2+]Cc2cnc(C(C)(C)C)nc2)CC1 ZINC000342723001 272046396 /nfs/dbraw/zinc/04/63/96/272046396.db2.gz DUNOEZAUWCTMSN-UHFFFAOYSA-N 2 0 304.482 2.986 20 0 DFADRP Cc1ccc(C[NH+](C)C)cc1NC(=O)C[C@H]1CCCC[C@@H]1[NH3+] ZINC000295043617 427669207 /nfs/dbraw/zinc/66/92/07/427669207.db2.gz FBYGSVBYKFHBKR-CVEARBPZSA-N 2 0 303.450 2.903 20 0 DFADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]CCC2(OC)CCC2)[C@@H](C)C1 ZINC000339096382 427673697 /nfs/dbraw/zinc/67/36/97/427673697.db2.gz MITGMCBSHXVLRU-IRXDYDNUSA-N 2 0 312.498 2.672 20 0 DFADRP CO[C@H](C)CC[NH2+][C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000295053174 427674367 /nfs/dbraw/zinc/67/43/67/427674367.db2.gz PTLVHFBHZQXCLX-QXCFHYIPSA-N 2 0 302.462 2.912 20 0 DFADRP CCC(CC)NC(=O)[C@H](C)[NH+]1CCC(C[NH+](CC)CC)CC1 ZINC000343579617 272175861 /nfs/dbraw/zinc/17/58/61/272175861.db2.gz LZXLJPWIGPSJQP-HNNXBMFYSA-N 2 0 311.514 2.734 20 0 DFADRP CC[N@H+](C)[C@@H](C(=O)NCC1CCC(C[NH3+])CC1)c1ccccc1 ZINC000343640117 272190868 /nfs/dbraw/zinc/19/08/68/272190868.db2.gz LLKCWZVPBHIZHB-LEOMRAHMSA-N 2 0 317.477 2.561 20 0 DFADRP C[C@H]1C[N@H+](CCCc2ccsc2)CCN1C1CC[NH+](C)CC1 ZINC000343719587 272207904 /nfs/dbraw/zinc/20/79/04/272207904.db2.gz KWEBTADATICQST-INIZCTEOSA-N 2 0 321.534 2.781 20 0 DFADRP CC[NH+](CCNC(=O)[C@H](c1ccccc1)[N@@H+](C)CC)C(C)C ZINC000343778256 272217307 /nfs/dbraw/zinc/21/73/07/272217307.db2.gz KWPQWMMAJOULBJ-KRWDZBQOSA-N 2 0 305.466 2.526 20 0 DFADRP C[N@H+](Cc1ccccc1)CC(C)(C)C[NH2+][C@H]1CC[C@@H](CO)C1 ZINC000295066028 427679116 /nfs/dbraw/zinc/67/91/16/427679116.db2.gz OUMZITVKIWRLJZ-MSOLQXFVSA-N 2 0 304.478 2.895 20 0 DFADRP C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000343916100 272237344 /nfs/dbraw/zinc/23/73/44/272237344.db2.gz AKLHSURFHORKCS-ZIFCJYIRSA-N 2 0 301.478 2.705 20 0 DFADRP C[C@@H]1CCC[C@@H](C)C1[NH2+]Cc1ccncc1OCC[NH+](C)C ZINC000343920961 272238221 /nfs/dbraw/zinc/23/82/21/272238221.db2.gz DJQKNZAXOQIIIJ-HUUCEWRRSA-N 2 0 305.466 2.936 20 0 DFADRP COc1cccc([C@H](C)[N@H+](C)CCCN(C)CC[NH+](C)C)c1 ZINC000344028080 272251346 /nfs/dbraw/zinc/25/13/46/272251346.db2.gz MGIFAJWYBDUIMI-INIZCTEOSA-N 2 0 307.482 2.572 20 0 DFADRP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+]C[C@](C)(O)CCC(C)C ZINC000344194541 272284182 /nfs/dbraw/zinc/28/41/82/272284182.db2.gz GZWILSHFMVNTLQ-GOSISDBHSA-N 2 0 316.449 2.853 20 0 DFADRP Cc1ccc(NC(=O)[C@@H]2CC[N@H+](C)[C@H](C)C2)c(C[NH+](C)C)c1 ZINC000344208298 272287031 /nfs/dbraw/zinc/28/70/31/272287031.db2.gz UHIICTAKGAPMRM-HUUCEWRRSA-N 2 0 303.450 2.725 20 0 DFADRP C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)[C@@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC000344219765 272290070 /nfs/dbraw/zinc/29/00/70/272290070.db2.gz ZNLAUDGITTXZKA-VVLHAWIVSA-N 2 0 323.525 2.589 20 0 DFADRP Cc1ccc(C[NH+](C)C)cc1NC(=O)C12CCC[NH+]1CCC2 ZINC000279476536 427683817 /nfs/dbraw/zinc/68/38/17/427683817.db2.gz QGRCHYJFOSYGOW-UHFFFAOYSA-N 2 0 301.434 2.624 20 0 DFADRP C[C@@H](C(=O)N1CC[N@@H+](C2CCC2)C[C@H](C)C1)[NH+]1[C@@H](C)CC[C@@H]1C ZINC000344719711 272359957 /nfs/dbraw/zinc/35/99/57/272359957.db2.gz GAFDADRLVPMXEQ-QAETUUGQSA-N 2 0 321.509 2.581 20 0 DFADRP CC[NH+](CC)C[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(C(N)=O)cc1 ZINC000344814273 272373473 /nfs/dbraw/zinc/37/34/73/272373473.db2.gz JJKMMHDVCONLSF-ZWKOTPCHSA-N 2 0 317.477 2.776 20 0 DFADRP Cn1nccc1[C@H]1[C@@H](C[NH2+]C2Cc3ccccc3C2)CCCN1C ZINC000345035047 272396486 /nfs/dbraw/zinc/39/64/86/272396486.db2.gz OGDAQJOLWAIWCS-YLJYHZDGSA-N 2 0 324.472 2.560 20 0 DFADRP CC[C@H]1CN(c2cc[nH+]c3ccc(C)cc32)CC[N@@H+]1C[C@@H](C)O ZINC000185640792 427686030 /nfs/dbraw/zinc/68/60/30/427686030.db2.gz BCQILKNKXMDCTI-CVEARBPZSA-N 2 0 313.445 2.825 20 0 DFADRP CCC[C@@H]([NH2+]CCN1CCC([NH+](C)C)CC1)c1cccnc1 ZINC000185647697 427686638 /nfs/dbraw/zinc/68/66/38/427686638.db2.gz NOWSSWVXTSBHBZ-GOSISDBHSA-N 2 0 304.482 2.538 20 0 DFADRP CC(C)Oc1cccc(C[NH2+][C@@H](C)CCN2CC[NH+](C)CC2)c1 ZINC000185872166 427723070 /nfs/dbraw/zinc/72/30/70/427723070.db2.gz AQTUCXOTRPBHAF-KRWDZBQOSA-N 2 0 319.493 2.589 20 0 DFADRP CC[NH+](CC)C[C@H]1CC[N@H+](C[C@H](O)Cc2cccc(Cl)c2)C1 ZINC000287779942 427692301 /nfs/dbraw/zinc/69/23/01/427692301.db2.gz NJQUJGVHOHGKDZ-SJLPKXTDSA-N 2 0 324.896 2.907 20 0 DFADRP [NH3+]C1(CN[C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)C2CC3CC(C2)CC1C3 ZINC000333886569 427703424 /nfs/dbraw/zinc/70/34/24/427703424.db2.gz XHIZWLSCMGPWGC-YYBWHAAPSA-N 2 0 317.521 2.650 20 0 DFADRP COCCC[NH+]1CCC([NH2+][C@H](C)[C@H](OC)c2ccccc2)CC1 ZINC000279744295 427718284 /nfs/dbraw/zinc/71/82/84/427718284.db2.gz PHFJOJVUOVCDNF-APWZRJJASA-N 2 0 320.477 2.853 20 0 DFADRP COc1ccc(F)c(C[NH2+][C@H]2CCO[C@@H](c3cncn3C)C2)c1 ZINC000339357117 427759004 /nfs/dbraw/zinc/75/90/04/427759004.db2.gz DXPOALQPHZYQOZ-SUMWQHHRSA-N 2 0 319.380 2.578 20 0 DFADRP [NH3+]CC[C@@H]1CCC[N@H+](CCCc2nc(-c3cccs3)no2)C1 ZINC000336852724 427759667 /nfs/dbraw/zinc/75/96/67/427759667.db2.gz XBJMUYCRAWNUSN-ZDUSSCGKSA-N 2 0 320.462 2.792 20 0 DFADRP CC(C)[C@H](C[NH2+]CCCN1CC[NH+](C)CC1)c1ccccc1 ZINC000336861583 427765293 /nfs/dbraw/zinc/76/52/93/427765293.db2.gz CVFHHYWNGMNKCN-IBGZPJMESA-N 2 0 303.494 2.653 20 0 DFADRP [NH3+]CCCOC1CC[NH+](Cc2ccc(OCC3CC3)cc2)CC1 ZINC000339405553 427768641 /nfs/dbraw/zinc/76/86/41/427768641.db2.gz BTHVPANRHFAIBW-UHFFFAOYSA-N 2 0 318.461 2.805 20 0 DFADRP c1ncn(-c2ccc(C[NH2+]CCCCC[NH+]3CCCC3)cc2)n1 ZINC000339501397 427783611 /nfs/dbraw/zinc/78/36/11/427783611.db2.gz WTNAQZIPMBQSEM-UHFFFAOYSA-N 2 0 313.449 2.623 20 0 DFADRP c1ccc(C[NH+]2CC[C@@H]3C[N@@H+](CCOCC4CC4)C[C@@H]3C2)cc1 ZINC000336713820 427748811 /nfs/dbraw/zinc/74/88/11/427748811.db2.gz NRZVKIUZBOWVJX-UXHICEINSA-N 2 0 314.473 2.867 20 0 DFADRP Cc1cnn(CC[N@@H+](C)C[C@@H]2CC[NH+](Cc3ccccc3)C2)c1 ZINC000336719252 427750312 /nfs/dbraw/zinc/75/03/12/427750312.db2.gz RRRWZODVDUGUGU-IBGZPJMESA-N 2 0 312.461 2.645 20 0 DFADRP c1ccc(C[N@H+]2CC[C@@H](CNC3CC[NH+](C4CC4)CC3)C2)cc1 ZINC000336716841 427750736 /nfs/dbraw/zinc/75/07/36/427750736.db2.gz PPZLGUZVNCJSNY-SFHVURJKSA-N 2 0 313.489 2.725 20 0 DFADRP CCCC[N@H+](C)CC1CC[NH+](C[C@](C)(O)C(F)(F)F)CC1 ZINC000337140533 427805132 /nfs/dbraw/zinc/80/51/32/427805132.db2.gz RFRGYHGDJNVDHG-AWEZNQCLSA-N 2 0 310.404 2.744 20 0 DFADRP Cc1cccc2c(NC[C@@H](c3cnn(C)c3)[NH+](C)C)cc[nH+]c12 ZINC000301669222 427814292 /nfs/dbraw/zinc/81/42/92/427814292.db2.gz NCCPYKMEGTWEIF-KRWDZBQOSA-N 2 0 309.417 2.992 20 0 DFADRP CC(C)[NH+]1CCN(CCC[N@@H+]2CC(C)(C)[C@@H]3CCC[C@@H]32)CC1 ZINC000339714141 427816634 /nfs/dbraw/zinc/81/66/34/427816634.db2.gz AYBRYUPFWRXOCX-MSOLQXFVSA-N 2 0 307.526 2.913 20 0 DFADRP COc1ccc([C@@H](C)[NH2+]CCCN2CC[NH+](C(C)C)CC2)cc1 ZINC000337312985 427838863 /nfs/dbraw/zinc/83/88/63/427838863.db2.gz GEANXUKVDDGIKU-QGZVFWFLSA-N 2 0 319.493 2.762 20 0 DFADRP CC[NH+](CC)[C@@H](C(=O)NC[C@@H](C)[N@H+](C)C1CC1)c1ccccc1 ZINC000355662243 427839544 /nfs/dbraw/zinc/83/95/44/427839544.db2.gz YYMMKHGYNSCHMJ-CRAIPNDOSA-N 2 0 317.477 2.668 20 0 DFADRP CC[NH+](CC)[C@H](C(=O)NC[C@@H](C)[N@H+](C)C1CC1)c1ccccc1 ZINC000355662245 427840745 /nfs/dbraw/zinc/84/07/45/427840745.db2.gz YYMMKHGYNSCHMJ-QAPCUYQASA-N 2 0 317.477 2.668 20 0 DFADRP CC[NH+](CC)CCOCC[NH2+][C@H]1CCCOc2ccc(F)cc21 ZINC000349674519 427841082 /nfs/dbraw/zinc/84/10/82/427841082.db2.gz ZBPZCGMSEQGLSH-KRWDZBQOSA-N 2 0 324.440 2.987 20 0 DFADRP CC(C)[NH+]1CCN(CCC[N@H+]2CC=C(C(F)(F)F)CC2)CC1 ZINC000337322398 427843849 /nfs/dbraw/zinc/84/38/49/427843849.db2.gz RFMZTUPFNAJIAK-UHFFFAOYSA-N 2 0 319.415 2.597 20 0 DFADRP CC(C)OC[C@H](C)[NH2+]Cc1ccccc1C[N@@H+]1CCC[C@H]1CO ZINC000337321642 427844218 /nfs/dbraw/zinc/84/42/18/427844218.db2.gz ZOYYTHCKJYASJT-LPHOPBHVSA-N 2 0 320.477 2.546 20 0 DFADRP CCc1c(C)[nH+]c2ccccc2c1N1C[C@H]2OCC[N@H+](C)[C@H]2C1 ZINC000302075801 427849766 /nfs/dbraw/zinc/84/97/66/427849766.db2.gz XVMATNCMLBALHW-ZWKOTPCHSA-N 2 0 311.429 2.625 20 0 DFADRP CCc1c(C)[nH+]c2ccccc2c1N1CCO[C@@H](C[NH+](C)C)C1 ZINC000302055687 427850531 /nfs/dbraw/zinc/85/05/31/427850531.db2.gz QKLGJNYPZXRHBD-HNNXBMFYSA-N 2 0 313.445 2.872 20 0 DFADRP CC[C@H](Cn1cncn1)[NH2+]Cc1ccccc1C[N@H+](C)C(C)C ZINC000340461600 427854642 /nfs/dbraw/zinc/85/46/42/427854642.db2.gz KIROTCLLNBSNOQ-GOSISDBHSA-N 2 0 315.465 2.687 20 0 DFADRP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]CCc1cc(C(F)(F)F)ccn1 ZINC000340466771 427854837 /nfs/dbraw/zinc/85/48/37/427854837.db2.gz RJXBNJCNBFJVLJ-BXUZGUMPSA-N 2 0 301.356 2.573 20 0 DFADRP c1nc2ccccc2n1-c1ccc(C[NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC000359457210 427861414 /nfs/dbraw/zinc/86/14/14/427861414.db2.gz IHWFEDIJVITRQT-IAGOWNOFSA-N 2 0 318.424 2.677 20 0 DFADRP C[C@@H](CC[NH2+]C1CCN(CC(F)F)CC1)[NH+]1CCCCC1 ZINC000346265508 272608775 /nfs/dbraw/zinc/60/87/75/272608775.db2.gz HGPCMHKHSNIWBJ-AWEZNQCLSA-N 2 0 303.441 2.570 20 0 DFADRP C[C@@]1([NH3+])CCCC[C@@H]1C(=O)NCCCCC[NH+]1CCCCC1 ZINC000345701737 427867525 /nfs/dbraw/zinc/86/75/25/427867525.db2.gz AYUZSDLTMLKAAY-SJLPKXTDSA-N 2 0 309.498 2.666 20 0 DFADRP C[N@H+](CCCNC(=O)[C@@H]1CCCC[C@@]1(C)[NH3+])C1CCCCC1 ZINC000345713858 427873959 /nfs/dbraw/zinc/87/39/59/427873959.db2.gz LHXJLQFTFJULOJ-FUHWJXTLSA-N 2 0 309.498 2.665 20 0 DFADRP C[C@@H]1CCC[C@H]1CC(=O)N(CCC[NH+](C)C)CCC[NH+](C)C ZINC000346381075 272631882 /nfs/dbraw/zinc/63/18/82/272631882.db2.gz TVEJCCOOMJVPSO-SJORKVTESA-N 2 0 311.514 2.545 20 0 DFADRP Cc1c[nH+]ccc1NCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000359518988 427888736 /nfs/dbraw/zinc/88/87/36/427888736.db2.gz SNEAUKPZKRYHSY-UHFFFAOYSA-N 2 0 311.429 2.899 20 0 DFADRP C[C@H]1CCC[C@H](C)[NH+]1CCNC(=O)c1cccc(C[NH+](C)C)c1 ZINC000355814210 427906162 /nfs/dbraw/zinc/90/61/62/427906162.db2.gz SUMQGQWAWWTVFT-HOTGVXAUSA-N 2 0 317.477 2.741 20 0 DFADRP CC[C@@H](C(=O)NCCCC[NH+]1CCC(C)CC1)[NH+](CC)CC ZINC000345790792 427908617 /nfs/dbraw/zinc/90/86/17/427908617.db2.gz FTAMJQSNVMRJEF-KRWDZBQOSA-N 2 0 311.514 2.735 20 0 DFADRP Fc1ccc(/C=C/C[N@@H+]2CC[C@@H](CN3CCOCC3)C2)c(F)c1 ZINC000349972417 427911666 /nfs/dbraw/zinc/91/16/66/427911666.db2.gz KCXBZODTYJGTHD-BGTMTDRBSA-N 2 0 322.399 2.632 20 0 DFADRP CC[C@@H](C(=O)NCC(C)(C)[N@@H+]1CCC[C@H](C)C1)[NH+](CC)CC ZINC000345808973 427914985 /nfs/dbraw/zinc/91/49/85/427914985.db2.gz SYLCJXNFENRSID-HOTGVXAUSA-N 2 0 311.514 2.734 20 0 DFADRP COCC[C@@H]1CCC[C@@H]1[NH2+]C1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000337468888 427919782 /nfs/dbraw/zinc/91/97/82/427919782.db2.gz MTTBAQUGQVNAME-DSLXNQLJSA-N 2 0 324.509 2.549 20 0 DFADRP CC1CC[NH+](CCCCNC(=O)[C@H]2CCCC[C@]2(C)[NH3+])CC1 ZINC000345830515 427923166 /nfs/dbraw/zinc/92/31/66/427923166.db2.gz XQTIUOJTOMYERR-AEFFLSMTSA-N 2 0 309.498 2.522 20 0 DFADRP CCCN(C)Cc1nc(-c2ccccc2OCC[NH+](C)C)no1 ZINC000350660134 427963638 /nfs/dbraw/zinc/96/36/38/427963638.db2.gz URMWSACWSFUMRN-UHFFFAOYSA-N 2 0 318.421 2.519 20 0 DFADRP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1N[C@H]1CC[NH+](C)[C@@H](c2ccccc2)C1 ZINC000340263441 427971432 /nfs/dbraw/zinc/97/14/32/427971432.db2.gz VXKBFCBSVJTXGQ-DJABAAGCSA-N 2 0 313.489 2.894 20 0 DFADRP Cc1cccc(NC[C@@H]2CCC[N@@H+]2Cc2ccc(C(N)=O)cc2)n1 ZINC000369510735 427981810 /nfs/dbraw/zinc/98/18/10/427981810.db2.gz IHASKQMMNVWPSB-KRWDZBQOSA-N 2 0 324.428 2.565 20 0 DFADRP c1cn(-c2csc(C[NH+]3CCC([C@H]4CCC[NH2+]4)CC3)c2)cn1 ZINC000347095886 272724851 /nfs/dbraw/zinc/72/48/51/272724851.db2.gz HXOHFKDRWQUBPJ-QGZVFWFLSA-N 2 0 316.474 2.898 20 0 DFADRP C[C@@H](CCNC(=O)CC[C@@H]1CCCC[N@@H+]1C)[NH+]1CCCCC1 ZINC000356031086 427990538 /nfs/dbraw/zinc/99/05/38/427990538.db2.gz CXPJGTOPBXSUQI-IRXDYDNUSA-N 2 0 309.498 2.632 20 0 DFADRP CC(C)(C)OC(=O)N1CC[C@H]([NH2+]C2CC([NH+]3CCCCC3)C2)C1 ZINC000369539918 427991211 /nfs/dbraw/zinc/99/12/11/427991211.db2.gz HFQLNYFNPNEVRI-FHERZECASA-N 2 0 323.481 2.602 20 0 DFADRP Cc1ccc([C@H](C)[NH2+][C@H](CC(C)C)C(=O)NCC[NH+](C)C)cc1 ZINC000347234443 272753037 /nfs/dbraw/zinc/75/30/37/272753037.db2.gz RPYBFWNTHAOVGW-FUHWJXTLSA-N 2 0 319.493 2.738 20 0 DFADRP CC(C)[N@H+](C)CCC[NH2+][C@@H]1CCN(Cc2ccccn2)C[C@@H]1C ZINC000359641231 427950596 /nfs/dbraw/zinc/95/05/96/427950596.db2.gz MVQXSNUGZQDNRG-PKOBYXMFSA-N 2 0 318.509 2.612 20 0 DFADRP CCO[C@@H]1C[C@@H]([NH2+]CCCC[NH+](C)C)[C@@H]1Oc1ccccc1 ZINC000359645424 427951497 /nfs/dbraw/zinc/95/14/97/427951497.db2.gz XDWBFNFMWUWMME-KURKYZTESA-N 2 0 306.450 2.543 20 0 DFADRP C[C@H]([NH2+]CCCC[NH+]1C[C@@H](C)O[C@H](C)C1)c1ccncc1F ZINC000340207858 427953156 /nfs/dbraw/zinc/95/31/56/427953156.db2.gz YODADNWTHZCKSE-KFWWJZLASA-N 2 0 309.429 2.761 20 0 DFADRP Cc1cnc(CN[C@@H](C[N@H+](C)Cc2ccccc2)C(C)C)n1C ZINC000341254231 428028293 /nfs/dbraw/zinc/02/82/93/428028293.db2.gz BFMXHHBFBOWBKB-SFHVURJKSA-N 2 0 314.477 2.975 20 0 DFADRP CC(C)[C@H]1C[C@H]([NH2+]CCCC[NH+]2C[C@@H](C)O[C@H](C)C2)CCO1 ZINC000346127538 428028402 /nfs/dbraw/zinc/02/84/02/428028402.db2.gz IFXQXEAYEJORHU-BRSBDYLESA-N 2 0 312.498 2.669 20 0 DFADRP c1ccc(CN2CCC([NH2+]CCOC3CCCCC3)CC2)nc1 ZINC000341339572 428037873 /nfs/dbraw/zinc/03/78/73/428037873.db2.gz COENOMOGVYVUPW-UHFFFAOYSA-N 2 0 317.477 2.985 20 0 DFADRP C[C@H](C[NH+]1CCCCC1)NC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000359845956 428044755 /nfs/dbraw/zinc/04/47/55/428044755.db2.gz CJILJGOQTIMTJZ-SJORKVTESA-N 2 0 321.509 2.632 20 0 DFADRP CC(C)(C)SCC[NH+]1CCC(CC[NH+]2CCOCC2)CC1 ZINC000377039942 428045180 /nfs/dbraw/zinc/04/51/80/428045180.db2.gz MOGZJFVQQDWQDU-UHFFFAOYSA-N 2 0 314.539 2.952 20 0 DFADRP CC[NH+](CC)CCOC1CC[NH+](C[C@H]2CCC(C)(C)O2)CC1 ZINC000359855791 428048977 /nfs/dbraw/zinc/04/89/77/428048977.db2.gz KRSQXLWCXQEZGH-QGZVFWFLSA-N 2 0 312.498 2.767 20 0 DFADRP COc1cc2[nH+]ccc(N[C@H]3CCC[N@H+](C)[C@H]3C)c2cc1OC ZINC000413233382 427998213 /nfs/dbraw/zinc/99/82/13/427998213.db2.gz DFIJDQHLSFGCLA-JSGCOSHPSA-N 2 0 315.417 2.569 20 0 DFADRP CN1CC[C@@H]([NH2+]CC2(CO)CCCC2)C[C@@H]1c1ccccc1 ZINC000340361159 427999346 /nfs/dbraw/zinc/99/93/46/427999346.db2.gz NXFZXXAIOJNZBA-QZTJIDSGSA-N 2 0 302.462 2.964 20 0 DFADRP OC[C@H](C[NH2+]C1CC[NH+](C2CCCCC2)CC1)c1cccnc1 ZINC000376798621 428001914 /nfs/dbraw/zinc/00/19/14/428001914.db2.gz IBFRZYSHGXVVSB-KRWDZBQOSA-N 2 0 317.477 2.544 20 0 DFADRP Cc1nc(COc2ccc(CN3CCC[C@H]([NH3+])C3)cc2)cs1 ZINC000346061922 428004374 /nfs/dbraw/zinc/00/43/74/428004374.db2.gz IYNLRYKGSNUFKW-HNNXBMFYSA-N 2 0 317.458 2.954 20 0 DFADRP CC[N@@H+]1CC[C@H]([NH2+]Cc2cccc(-c3nccn3C)c2)[C@H](C)C1 ZINC000369840309 428073270 /nfs/dbraw/zinc/07/32/70/428073270.db2.gz KWNRETHZIYWRBT-QAPCUYQASA-N 3 0 312.461 2.907 20 0 DFADRP C[C@@H]1C[C@H](NC[C@@H]2CC[NH+](C)[C@@H]2c2ccccc2)CC[N@@H+]1C ZINC000369851617 428075930 /nfs/dbraw/zinc/07/59/30/428075930.db2.gz KFIOUIATGOGDEN-QXCFHYIPSA-N 2 0 301.478 2.752 20 0 DFADRP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+]1CCS[C@@H](C)[C@@H]1C ZINC000346219923 428076766 /nfs/dbraw/zinc/07/67/66/428076766.db2.gz NLBDBAOYRYYDTB-KBPBESRZSA-N 2 0 302.447 2.902 20 0 DFADRP CC(C)(O)CC[N@@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000377316229 428103392 /nfs/dbraw/zinc/10/33/92/428103392.db2.gz LKAZBABXRVOXOZ-ROUUACIJSA-N 2 0 302.462 2.601 20 0 DFADRP CC[N@@H+]1CC[C@H]([NH+](C)CCc2ccc3c(c2)OCCO3)[C@@H](C)C1 ZINC000360016437 428117292 /nfs/dbraw/zinc/11/72/92/428117292.db2.gz MHGAEMMJKQBTSV-RDJZCZTQSA-N 2 0 318.461 2.662 20 0 DFADRP C[C@H]([NH2+]C1(CO)CCCC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000360023650 428119841 /nfs/dbraw/zinc/11/98/41/428119841.db2.gz ZKXMTUWHZDHKJS-FUHWJXTLSA-N 2 0 302.462 2.792 20 0 DFADRP C[C@H]([NH2+]C[C@H]1CCC[N@@H+]1C1CCCCC1)C(C)(C)n1cncn1 ZINC000377394056 428121404 /nfs/dbraw/zinc/12/14/04/428121404.db2.gz SRVCSUKEHKLKLK-DOTOQJQBSA-N 2 0 319.497 2.788 20 0 DFADRP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+](CCCO)CC(C)(C)C ZINC000346198987 428065353 /nfs/dbraw/zinc/06/53/53/428065353.db2.gz GESZJJJANFSNFA-UHFFFAOYSA-N 2 0 316.449 2.806 20 0 DFADRP CCC[N@@H+]1CC[C@H](C[NH2+]Cc2ccccc2-c2ccnn2C)C1 ZINC000352211927 428131089 /nfs/dbraw/zinc/13/10/89/428131089.db2.gz MQMZJKCSPIHBRT-MRXNPFEDSA-N 2 0 312.461 2.909 20 0 DFADRP CC[N@@H+]1CC[C@@H](N(C)C(=O)c2cccc(C[NH+](C)C)c2)C[C@@H]1C ZINC000346387865 428151067 /nfs/dbraw/zinc/15/10/67/428151067.db2.gz OSQRMTOIHXPNMR-MAUKXSAKSA-N 2 0 317.477 2.693 20 0 DFADRP CC[N@@H+]1CC[C@H](N(C)C(=O)c2cccc(C[NH+](C)C)c2)C[C@@H]1C ZINC000346387869 428151433 /nfs/dbraw/zinc/15/14/33/428151433.db2.gz OSQRMTOIHXPNMR-YJBOKZPZSA-N 2 0 317.477 2.693 20 0 DFADRP C[N@H+](CC[C@@H]1CCCO1)[C@@H]1CCC[NH+](CC[C@H]2CCCO2)CC1 ZINC000346424553 428165727 /nfs/dbraw/zinc/16/57/27/428165727.db2.gz CTIATEXLQDMEDU-CEXWTWQISA-N 2 0 324.509 2.911 20 0 DFADRP Cc1ccc(C[N@@H+](C)[C@H]2CCN(C3CC[NH+](C)CC3)C2)cc1 ZINC000377622475 428173674 /nfs/dbraw/zinc/17/36/74/428173674.db2.gz GRRUUWWTUQBPGQ-IBGZPJMESA-N 2 0 301.478 2.595 20 0 DFADRP CC1=CCC[C@H](C)[C@@H]1C[N@@H+]1CCC[C@H](CN2CC[NH+](C)CC2)C1 ZINC000377626754 428174773 /nfs/dbraw/zinc/17/47/73/428174773.db2.gz OGTBTFOVVMCUJF-XUVXKRRUSA-N 2 0 319.537 2.938 20 0 DFADRP Cc1ccc(C[N@H+]2CCC[C@H](CN3CC[NH+](C)CC3)C2)s1 ZINC000377630775 428179457 /nfs/dbraw/zinc/17/94/57/428179457.db2.gz SVBUOWSCUXSSFI-MRXNPFEDSA-N 2 0 307.507 2.516 20 0 DFADRP COc1ccc([C@H](C)[NH2+][C@@H](C)CCN2CC[NH+](C)CC2)c(C)c1 ZINC000414132200 428214144 /nfs/dbraw/zinc/21/41/44/428214144.db2.gz MGAKGRJRQNANIK-IRXDYDNUSA-N 2 0 319.493 2.680 20 0 DFADRP C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2ccc(-c3cc[nH]n3)o2)C1 ZINC000377840949 428240917 /nfs/dbraw/zinc/24/09/17/428240917.db2.gz XGZADXOOJIMOGX-CJNGLKHVSA-N 2 0 300.406 2.586 20 0 DFADRP C[C@H]([NH2+]C[C@@H]1CC[N@H+](CCc2ccccc2)C1)[C@H]1CCCO1 ZINC000346565408 428221176 /nfs/dbraw/zinc/22/11/76/428221176.db2.gz SGONGXINHZEMJZ-YTQUADARSA-N 2 0 302.462 2.708 20 0 DFADRP C[C@@H]([NH2+]CCC[N@@H+]1CCC[C@H](C(N)=O)C1)C1CCCCCC1 ZINC000346605736 428236653 /nfs/dbraw/zinc/23/66/53/428236653.db2.gz NJUUDNITLBZLJY-WBVHZDCISA-N 2 0 309.498 2.522 20 0 DFADRP CC(C)C1CCC(C[NH2+]CCC[N@@H+]2CCC[C@H](C(N)=O)C2)CC1 ZINC000352761850 428236752 /nfs/dbraw/zinc/23/67/52/428236752.db2.gz ZUTCTNHSDNVLIK-ABHNRTSZSA-N 2 0 323.525 2.626 20 0 DFADRP CC[NH+]1CCN(CCC[NH2+]C/C=C/c2ccc(F)c(F)c2)CC1 ZINC000352766534 428238274 /nfs/dbraw/zinc/23/82/74/428238274.db2.gz XRSYQTQDVMGOLM-HWKANZROSA-N 2 0 323.431 2.595 20 0 DFADRP C[C@@H]1C[C@@H]([NH2+]CCc2cnccn2)CCN1Cc1ccccc1 ZINC000341875335 428239652 /nfs/dbraw/zinc/23/96/52/428239652.db2.gz LFYKZRFTVJHXFG-AEFFLSMTSA-N 2 0 310.445 2.662 20 0 DFADRP COc1ccc(C[C@H](C)[NH2+]C2CC(C)(C)[NH2+]C(C)(C)C2)cn1 ZINC000414065031 428196755 /nfs/dbraw/zinc/19/67/55/428196755.db2.gz ODQZHYDQWJJXHD-ZDUSSCGKSA-N 2 0 305.466 2.920 20 0 DFADRP C[N@H+](Cc1ccc(F)nc1)C1CCN(c2cc[nH+]cc2)CC1 ZINC000377695020 428197804 /nfs/dbraw/zinc/19/78/04/428197804.db2.gz LRCGYIGRGAAPKL-UHFFFAOYSA-N 2 0 300.381 2.717 20 0 DFADRP c1cnn(CC[NH+]2CCC3(CC[N@H+](Cc4ccccc4)C3)CC2)c1 ZINC000370652884 428263745 /nfs/dbraw/zinc/26/37/45/428263745.db2.gz VVNXOMVHNYZDRP-UHFFFAOYSA-N 2 0 324.472 2.871 20 0 DFADRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H]2C[C@H]2c2ccco2)[C@@H](C)C1 ZINC000414350833 428268037 /nfs/dbraw/zinc/26/80/37/428268037.db2.gz ZNXRSWVFVDYDGO-VVLHAWIVSA-N 2 0 306.450 2.862 20 0 DFADRP CC[NH+]1CCN([C@H](C)C[NH2+]Cc2ccc(SC)s2)CC1 ZINC000352835246 428270941 /nfs/dbraw/zinc/27/09/41/428270941.db2.gz OGMJDIYJAWRQJU-CYBMUJFWSA-N 2 0 313.536 2.586 20 0 DFADRP Cc1nn(Cc2ccccc2)c(C)c1C[N@H+]1C[C@@H](C[NH3+])C[C@@H]1C ZINC000346689775 428273855 /nfs/dbraw/zinc/27/38/55/428273855.db2.gz STVRSLHEIZACFA-KBXCAEBGSA-N 2 0 312.461 2.717 20 0 DFADRP Cc1occc1C[NH+]1CCC(C[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000414378676 428276682 /nfs/dbraw/zinc/27/66/82/428276682.db2.gz HHTLNIVIZBNZKZ-HUUCEWRRSA-N 2 0 306.450 2.909 20 0 DFADRP C[C@H]1C[C@H](C[NH3+])C[N@@H+]1Cc1ccccc1OCC(F)(F)F ZINC000346693394 428277678 /nfs/dbraw/zinc/27/76/78/428277678.db2.gz MVLHNWMAFYZWQQ-NWDGAFQWSA-N 2 0 302.340 2.797 20 0 DFADRP CC[N@@H+]1CCC[C@@H](C[NH2+]Cc2ccc(COCCOC)cc2)C1 ZINC000342028921 428281940 /nfs/dbraw/zinc/28/19/40/428281940.db2.gz SEMXUQLROPCQBS-IBGZPJMESA-N 2 0 320.477 2.671 20 0 DFADRP CCc1nocc1C[NH+]1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000352862282 428284264 /nfs/dbraw/zinc/28/42/64/428284264.db2.gz NFTSIGHBYRVYJL-UHFFFAOYSA-N 2 0 321.465 2.561 20 0 DFADRP FC(F)(F)Oc1ccc(C[NH2+][C@H]2CCc3nc[nH]c3C2)cc1 ZINC000370729671 428285659 /nfs/dbraw/zinc/28/56/59/428285659.db2.gz JPPRKDSHBBUXDQ-NSHDSACASA-N 2 0 311.307 2.955 20 0 DFADRP CCCOc1cc(C[NH2+][C@@H]2CCc3nc[nH]c3C2)ccc1OC ZINC000370729437 428287117 /nfs/dbraw/zinc/28/71/17/428287117.db2.gz IHGASWNWZVFVKT-CQSZACIVSA-N 2 0 315.417 2.854 20 0 DFADRP CCn1cc(CC[NH+]2CCC3(C[C@H]3C[N@H+](C)C3CC3)CC2)cn1 ZINC000370744005 428288515 /nfs/dbraw/zinc/28/85/15/428288515.db2.gz ZUIIMVOHUIZIKL-KRWDZBQOSA-N 2 0 316.493 2.642 20 0 DFADRP CC[NH+](CC)[C@H](C(=O)N[C@@H](C)C[N@H+](C)C(C)C)c1ccccc1 ZINC000356742777 428290100 /nfs/dbraw/zinc/29/01/00/428290100.db2.gz NGRYGCSJXMJYDF-WMZOPIPTSA-N 2 0 319.493 2.914 20 0 DFADRP CC1CCC([NH+]2CCC(N(C)C(=O)[C@H]3CCCC[NH2+]3)CC2)CC1 ZINC000370766090 428294922 /nfs/dbraw/zinc/29/49/22/428294922.db2.gz JOPALDSGYSQVQX-VMWRSERWSA-N 2 0 321.509 2.630 20 0 DFADRP CC[NH+]1CCC(NC[C@@H](c2ccco2)[NH+]2CCCCC2)CC1 ZINC000346741903 428296775 /nfs/dbraw/zinc/29/67/75/428296775.db2.gz SWXJXGLXJZMVJE-KRWDZBQOSA-N 2 0 305.466 2.881 20 0 DFADRP FC(F)(F)CCN1CCC([NH2+][C@@H]2CCCc3cn[nH]c32)CC1 ZINC000360437121 428297237 /nfs/dbraw/zinc/29/72/37/428297237.db2.gz OURWARYHPMODIW-CYBMUJFWSA-N 2 0 316.371 2.794 20 0 DFADRP C[N@@H+]1CC[C@H]([NH2+]CCOc2ncccc2Cl)[C@@H]2CCC[C@H]21 ZINC000370586052 428246479 /nfs/dbraw/zinc/24/64/79/428246479.db2.gz ZXPMRUSUPKEFJF-AEGPPILISA-N 2 0 309.841 2.576 20 0 DFADRP COc1ccc(CNCc2ncc(CN(C)C)s2)c(OC)c1 ZINC000352791431 428250535 /nfs/dbraw/zinc/25/05/35/428250535.db2.gz HZGYKBWSZKUNKV-UHFFFAOYSA-N 2 0 321.446 2.512 20 0 DFADRP CCC(C)(C)[NH2+][C@H](C)C(=O)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000356611582 428252045 /nfs/dbraw/zinc/25/20/45/428252045.db2.gz AGWQNJMYRZYSEC-CVEARBPZSA-N 2 0 309.498 2.630 20 0 DFADRP CC(C)[C@@](C)(O)C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000360334165 428256354 /nfs/dbraw/zinc/25/63/54/428256354.db2.gz CAVFLNLSIUNGJG-QRQLOZEOSA-N 2 0 304.478 2.894 20 0 DFADRP CC(C)[C@@](C)(O)C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000360334163 428256861 /nfs/dbraw/zinc/25/68/61/428256861.db2.gz CAVFLNLSIUNGJG-NEWSRXKRSA-N 2 0 304.478 2.894 20 0 DFADRP C[C@@H]([NH2+][C@@H]1CCN(C2CC[NH+](C)CC2)C1)c1ccccc1F ZINC000370623714 428257747 /nfs/dbraw/zinc/25/77/47/428257747.db2.gz BGZRYQSUCLFLMV-HUUCEWRRSA-N 2 0 305.441 2.645 20 0 DFADRP CO[C@H](C)[C@H](C)[NH2+]CC1CC[NH+](CCc2ccccc2)CC1 ZINC000370638268 428258883 /nfs/dbraw/zinc/25/88/83/428258883.db2.gz VEICGCVOTGYLHZ-DLBZAZTESA-N 2 0 304.478 2.954 20 0 DFADRP Cc1cc(C[NH2+]CC2CC[NH+](Cc3ccccc3)CC2)nn1C ZINC000414314073 428258950 /nfs/dbraw/zinc/25/89/50/428258950.db2.gz ZKCYXQBZBWSZGC-UHFFFAOYSA-N 2 0 312.461 2.730 20 0 DFADRP CC[N@@H+]1CC[C@H](NC2CC[NH+]([C@@H](C)Cc3ccccc3)CC2)C1 ZINC000414330926 428261620 /nfs/dbraw/zinc/26/16/20/428261620.db2.gz CKUQEFACDPWXJH-PXNSSMCTSA-N 2 0 315.505 2.766 20 0 DFADRP C[N@@H+]1CCCC[C@@H]1CCN1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000370879053 428313300 /nfs/dbraw/zinc/31/33/00/428313300.db2.gz LAMKOGNFAKQSRG-LMMKCTJWSA-N 2 0 305.510 2.810 20 0 DFADRP C[C@@H]1CCC[N@@H+]1C1CCN(C[C@@H](O)c2ccccc2F)CC1 ZINC000370884305 428313893 /nfs/dbraw/zinc/31/38/93/428313893.db2.gz XXXRBGGFNZHKIY-RDTXWAMCSA-N 2 0 306.425 2.808 20 0 DFADRP COC(=O)[C@@]12C[N@H+](CC[C@@H]3CCCC[NH+]3C)C[C@H]1CCCC2 ZINC000342135958 428315196 /nfs/dbraw/zinc/31/51/96/428315196.db2.gz UPPDMQTYMBXNQI-RYRKJORJSA-N 2 0 308.466 2.526 20 0 DFADRP C[C@H]([NH2+][C@H]1CCCN(C)[C@@H]1C)c1cccc(OCC[NH+](C)C)c1 ZINC000346788172 428317182 /nfs/dbraw/zinc/31/71/82/428317182.db2.gz HBMGYFPBRQHICT-FCEWJHQRSA-N 2 0 319.493 2.760 20 0 DFADRP CC(C)(C[NH2+]C1CCN(c2cc[nH+]cc2)CC1)OCC1CC1 ZINC000414498413 428320756 /nfs/dbraw/zinc/32/07/56/428320756.db2.gz AIMVDFNYRZYPQB-UHFFFAOYSA-N 2 0 303.450 2.845 20 0 DFADRP COC1(C)CC[NH+](C/C=C\C[NH+]2CCC(C)(OC)CC2)CC1 ZINC000342156450 428326236 /nfs/dbraw/zinc/32/62/36/428326236.db2.gz PLEVJQXWGGHJKX-WAYWQWQTSA-N 2 0 310.482 2.544 20 0 DFADRP CCC(C)(C)[NH2+][C@H](C)C(=O)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000356827249 428326469 /nfs/dbraw/zinc/32/64/69/428326469.db2.gz ZFIPPIBNPRKVRW-OAHLLOKOSA-N 2 0 309.498 2.630 20 0 DFADRP C[C@@H](C(=O)N1CCCc2cc(C[NH3+])ccc21)[C@H]([NH3+])c1ccccc1 ZINC000378187084 428328951 /nfs/dbraw/zinc/32/89/51/428328951.db2.gz HDNPOQRIAOPUKR-KUHUBIRLSA-N 2 0 323.440 2.761 20 0 DFADRP CCOC[C@H](C)[NH2+][C@@H]1CCN(Cc2cnc(C)s2)C[C@@H]1C ZINC000378183360 428329021 /nfs/dbraw/zinc/32/90/21/428329021.db2.gz IXQSVAUCBSEPGY-HEHGZKQESA-N 2 0 311.495 2.677 20 0 DFADRP COc1ccc(OC)c([C@@H]2CCC[N@@H+]2C[C@H]2CCC[NH2+]C2)c1 ZINC000346818229 428329286 /nfs/dbraw/zinc/32/92/86/428329286.db2.gz GYSVIWVBUWGOQA-YOEHRIQHSA-N 2 0 304.434 2.840 20 0 DFADRP COc1ccc(OC)c([C@H]2CCC[N@@H+]2C[C@H]2CCC[NH2+]C2)c1 ZINC000346818228 428330367 /nfs/dbraw/zinc/33/03/67/428330367.db2.gz GYSVIWVBUWGOQA-WMLDXEAASA-N 2 0 304.434 2.840 20 0 DFADRP C[C@H]([NH2+]CC[C@H]1CCOC1)c1cccc(OCC[NH+](C)C)c1 ZINC000346877017 428355884 /nfs/dbraw/zinc/35/58/84/428355884.db2.gz RONJPKVFPYJJKM-HOTGVXAUSA-N 2 0 306.450 2.704 20 0 DFADRP COc1ccc([C@@H]2CCC[N@@H+]2C[C@@H]2CCC[NH2+]C2)c(OC)c1 ZINC000346830151 428335692 /nfs/dbraw/zinc/33/56/92/428335692.db2.gz KAULAGWDPZSCNJ-PBHICJAKSA-N 2 0 304.434 2.840 20 0 DFADRP CCOc1cc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)ccc1OC ZINC000346841271 428341148 /nfs/dbraw/zinc/34/11/48/428341148.db2.gz GYXDZZWTTKLMLP-XHSDSOJGSA-N 2 0 304.434 2.653 20 0 DFADRP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](Cc3c[nH]nc3-c3cccs3)C[C@H]21 ZINC000346840337 428342677 /nfs/dbraw/zinc/34/26/77/428342677.db2.gz ZXNBWLMIBYDNKD-MRVWCRGKSA-N 2 0 302.447 2.697 20 0 DFADRP CSc1ccc(OCC[N@@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)cc1 ZINC000342101405 428300531 /nfs/dbraw/zinc/30/05/31/428300531.db2.gz KQMCOAXYHPJTPZ-IAOVAPTHSA-N 2 0 306.475 2.847 20 0 DFADRP COC(=O)[C@]12C[N@H+](CCC[NH+]3CCCCC3)C[C@@H]1CCCC2 ZINC000342110121 428302968 /nfs/dbraw/zinc/30/29/68/428302968.db2.gz CVQKWGUBBJCHQY-FUHWJXTLSA-N 2 0 308.466 2.528 20 0 DFADRP C[C@H]1C[C@H](C[NH+]2CCC(NC(=O)CC3CCCC3)CC2)CC[NH2+]1 ZINC000414743195 428390193 /nfs/dbraw/zinc/39/01/93/428390193.db2.gz OICDEIFMYDXEMN-DOTOQJQBSA-N 2 0 321.509 2.535 20 0 DFADRP CC(C)[C@@H]([NH3+])C[NH2+]C1CCN(C(=O)c2ccccc2Cl)CC1 ZINC000414795173 428414571 /nfs/dbraw/zinc/41/45/71/428414571.db2.gz MUATWNPSCUDFEP-INIZCTEOSA-N 2 0 323.868 2.518 20 0 DFADRP c1ccc(OCc2cccnc2)c(CN2CC[C@@H]3C[NH2+]C[C@H]3C2)c1 ZINC000357106261 428390907 /nfs/dbraw/zinc/39/09/07/428390907.db2.gz QDGNVJQYOXSEPP-MJGOQNOKSA-N 2 0 323.440 2.702 20 0 DFADRP C[C@@H]1C[C@H](C[N@@H+]2CCC[C@@H](C(=O)Nc3ccccc3)C2)CC[NH2+]1 ZINC000414743317 428391505 /nfs/dbraw/zinc/39/15/05/428391505.db2.gz VBMUOQKTBVFAFF-BRWVUGGUSA-N 2 0 315.461 2.725 20 0 DFADRP C[C@@H]1C[C@@H](CN2CC[NH2+]C[C@@H]2c2ccccc2Cl)CC[NH2+]1 ZINC000414746365 428392988 /nfs/dbraw/zinc/39/29/88/428392988.db2.gz ZDSVMGOJXDWDQZ-JKIFEVAISA-N 2 0 307.869 2.674 20 0 DFADRP C[C@@H]1C[C@H](C[N@@H+]2CCC[C@H](c3ncc4n3CCCC4)C2)CC[NH2+]1 ZINC000414760906 428395207 /nfs/dbraw/zinc/39/52/07/428395207.db2.gz HWIDBFGOYFLGAD-ZACQAIPSSA-N 2 0 316.493 2.787 20 0 DFADRP C[C@H](c1ccc(F)cc1)[N@@H+]1CCC[C@H](CN2CC[NH+](C)CC2)C1 ZINC000378436609 428395209 /nfs/dbraw/zinc/39/52/09/428395209.db2.gz QOKZQWSJEJTXHS-IAGOWNOFSA-N 2 0 319.468 2.846 20 0 DFADRP C[C@@H]1C[C@@H](C[N@@H+]2CCC[C@H](c3ncc4n3CCCC4)C2)CC[NH2+]1 ZINC000414760901 428395517 /nfs/dbraw/zinc/39/55/17/428395517.db2.gz HWIDBFGOYFLGAD-IKGGRYGDSA-N 2 0 316.493 2.787 20 0 DFADRP C[C@@H](c1ccc(F)cc1)[N@@H+]1CCC[C@@H](CN2CC[NH+](C)CC2)C1 ZINC000378436610 428395691 /nfs/dbraw/zinc/39/56/91/428395691.db2.gz QOKZQWSJEJTXHS-IRXDYDNUSA-N 2 0 319.468 2.846 20 0 DFADRP [NH3+]C[C@H]1CCC[C@H]1[NH2+]Cc1cccc(OCc2ccccn2)c1 ZINC000414791185 428414145 /nfs/dbraw/zinc/41/41/45/428414145.db2.gz HGWDTJXZNTWVMH-VQIMIIECSA-N 2 0 311.429 2.878 20 0 DFADRP C[N@@H+]1CCC[C@@H]1CCN1CCC[C@]2(C1)OCc1ccccc12 ZINC000360684756 428397738 /nfs/dbraw/zinc/39/77/38/428397738.db2.gz GXSKPQZDIQHBGZ-IEBWSBKVSA-N 2 0 300.446 2.992 20 0 DFADRP C[C@H]([NH2+][C@@H]1CCN(C2CC[NH+](C)CC2)C1)c1cccc(F)c1F ZINC000378449522 428397958 /nfs/dbraw/zinc/39/79/58/428397958.db2.gz GCHJZUYCGOIQNV-UONOGXRCSA-N 2 0 323.431 2.784 20 0 DFADRP C[C@@H](c1ccccc1)N(C)C(=O)C[N@H+](C)C[C@H]1CC[NH2+][C@H](C)C1 ZINC000414764714 428398054 /nfs/dbraw/zinc/39/80/54/428398054.db2.gz OUFZBHXEKBYLMW-IKGGRYGDSA-N 2 0 317.477 2.526 20 0 DFADRP c1cc(-c2n[nH]cc2C[N@@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)cs1 ZINC000414774620 428400057 /nfs/dbraw/zinc/40/00/57/428400057.db2.gz FMZVKKUSAIMANY-KGLIPLIRSA-N 2 0 316.474 2.960 20 0 DFADRP c1cn(-c2csc(C[N@@H+]3CCC[C@@H]([C@H]4CC[NH2+]C4)C3)c2)cn1 ZINC000414774684 428400442 /nfs/dbraw/zinc/40/04/42/428400442.db2.gz FSGXTIAZKHZKAC-LSDHHAIUSA-N 2 0 316.474 2.755 20 0 DFADRP C[NH2+]CC1CC[NH+](Cc2ccc(OC)cc2OC(F)F)CC1 ZINC000346998096 428402345 /nfs/dbraw/zinc/40/23/45/428402345.db2.gz FGOWGFBBSOCJKF-UHFFFAOYSA-N 2 0 314.376 2.728 20 0 DFADRP Cc1ccc(NC(=O)C[C@H](C)[NH2+]C2CC[NH2+]CC2)c(Cl)c1 ZINC000414773891 428402335 /nfs/dbraw/zinc/40/23/35/428402335.db2.gz AGFBSDOAMKZNLB-LBPRGKRZSA-N 2 0 309.841 2.707 20 0 DFADRP Cc1nccn1-c1ccc([C@H](C)[NH2+]CCn2ccnc2)cc1F ZINC000378466564 428402848 /nfs/dbraw/zinc/40/28/48/428402848.db2.gz KUFWGCJUDZRWNY-ZDUSSCGKSA-N 2 0 313.380 2.867 20 0 DFADRP C[NH2+]CC1CC[NH+](Cc2cc3c(cc2SC)OCCO3)CC1 ZINC000347005404 428405918 /nfs/dbraw/zinc/40/59/18/428405918.db2.gz PFTGYJBWBUXKOG-UHFFFAOYSA-N 2 0 322.474 2.611 20 0 DFADRP c1cnn(-c2ccc(C[N@@H+]3CCC[C@H]([C@H]4CC[NH2+]C4)C3)cc2)c1 ZINC000414785302 428405963 /nfs/dbraw/zinc/40/59/63/428405963.db2.gz SIUJGYOQEUFVFE-ROUUACIJSA-N 2 0 310.445 2.694 20 0 DFADRP c1cn(-c2ccccc2)c(C[N@@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)n1 ZINC000414784087 428408175 /nfs/dbraw/zinc/40/81/75/428408175.db2.gz QSYRBKRXXXRLRA-SJORKVTESA-N 2 0 310.445 2.694 20 0 DFADRP c1c(C[N@@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)[nH]nc1-c1ccccc1 ZINC000414789956 428409802 /nfs/dbraw/zinc/40/98/02/428409802.db2.gz ZCTUKYDKRXJXPW-DLBZAZTESA-N 2 0 310.445 2.898 20 0 DFADRP Brc1cncc(C[N@@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)c1 ZINC000414786647 428410030 /nfs/dbraw/zinc/41/00/30/428410030.db2.gz UQUJKGTWFWEKNA-UONOGXRCSA-N 2 0 324.266 2.666 20 0 DFADRP [NH3+]C[C@H]1C[N@H+](CCCCOc2ccccc2)CC12CCOCC2 ZINC000414789678 428410131 /nfs/dbraw/zinc/41/01/31/428410131.db2.gz YLDQRYHQUJNNSZ-KRWDZBQOSA-N 2 0 318.461 2.533 20 0 DFADRP CCC[N@H+](Cc1ccc(-n2cncn2)c(C)c1)C1CC[NH2+]CC1 ZINC000347024789 428411304 /nfs/dbraw/zinc/41/13/04/428411304.db2.gz RJVNKQKOXZZITN-UHFFFAOYSA-N 2 0 313.449 2.540 20 0 DFADRP CC1(C[NH+]2CCOCC2)CC[NH+](CCc2ccccc2)CC1 ZINC000371086167 428357277 /nfs/dbraw/zinc/35/72/77/428357277.db2.gz IPIOMZKJODXDTH-UHFFFAOYSA-N 2 0 302.462 2.663 20 0 DFADRP COC(=O)CCC[N@@H+]1CCC[C@@H]([NH+](C)Cc2ccccc2)CC1 ZINC000371099360 428360087 /nfs/dbraw/zinc/36/00/87/428360087.db2.gz KOSFZTJKUULYOY-GOSISDBHSA-N 2 0 318.461 2.926 20 0 DFADRP C[C@H]1CC[C@H](C)[NH+]1CC(=O)N1CC[NH+](C2CCC(C)CC2)CC1 ZINC000346906713 428368315 /nfs/dbraw/zinc/36/83/15/428368315.db2.gz JUOBCUOKGZVQSL-SAGYGOJTSA-N 2 0 321.509 2.582 20 0 DFADRP C[C@@H]1CCC[C@H](C[N@@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@@H](C)C2)C1 ZINC000356985375 428368914 /nfs/dbraw/zinc/36/89/14/428368914.db2.gz NZKCITJWVMRBHQ-YDZRNGNQSA-N 2 0 307.526 2.771 20 0 DFADRP CC[C@H]1CCC[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)N3CC(=O)N(C)C)C1 ZINC000353051598 428370106 /nfs/dbraw/zinc/37/01/06/428370106.db2.gz ZIJAKRCHORWFKZ-VQTPCSAVSA-N 2 0 321.509 2.628 20 0 DFADRP FC(F)(F)c1cccnc1C[NH+]1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000357038980 428371007 /nfs/dbraw/zinc/37/10/07/428371007.db2.gz AQXLWCUTYMAXCI-CYBMUJFWSA-N 2 0 313.367 2.922 20 0 DFADRP C[C@@H]1C[C@@H](C[NH+]2CCN(Cc3ccc(Cl)cc3)CC2)CC[NH2+]1 ZINC000414677345 428371915 /nfs/dbraw/zinc/37/19/15/428371915.db2.gz IZARNXULWRBIKM-WBVHZDCISA-N 2 0 321.896 2.846 20 0 DFADRP COC(=O)[C@H](C)C[N@@H+](Cc1ccccc1)C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000414676041 428372490 /nfs/dbraw/zinc/37/24/90/428372490.db2.gz MTPNIUIEMABPTO-JFIYKMOQSA-N 2 0 318.461 2.686 20 0 DFADRP CCC[N@H+](CC)C[C@@H](C)NCc1cn(-c2cc[nH+]cc2)nc1C ZINC000353068937 428373619 /nfs/dbraw/zinc/37/36/19/428373619.db2.gz FGNQTRCRMDCGJF-OAHLLOKOSA-N 2 0 315.465 2.786 20 0 DFADRP CCC[NH+]1CCN(c2ccccc2C[NH2+]C[C@@H](CC)OC)CC1 ZINC000353070302 428373687 /nfs/dbraw/zinc/37/36/87/428373687.db2.gz HHVKJGAMLVUQDI-GOSISDBHSA-N 2 0 319.493 2.733 20 0 DFADRP Cc1cc(C)c(NC(=O)C[N@@H+](C)C[C@H]2CC[NH2+][C@@H](C)C2)c(C)c1 ZINC000414675907 428374092 /nfs/dbraw/zinc/37/40/92/428374092.db2.gz MMZAUESVNINGBE-IRXDYDNUSA-N 2 0 317.477 2.870 20 0 DFADRP C[C@@H]1C[C@H](CN2CCC[N@H+](CC3CCCCC3)CC2)CC[NH2+]1 ZINC000414688838 428375079 /nfs/dbraw/zinc/37/50/79/428375079.db2.gz JSVQAVPKJMWFHU-IEBWSBKVSA-N 2 0 307.526 2.963 20 0 DFADRP C[C@H]1C[C@H](C[N@@H+]2CCCN(Cc3ccc(F)cc3)CC2)CC[NH2+]1 ZINC000414684844 428375445 /nfs/dbraw/zinc/37/54/45/428375445.db2.gz WZMNYCVJKPKBDF-FUHWJXTLSA-N 2 0 319.468 2.722 20 0 DFADRP COCC[N@H+](CCCc1ccccc1)C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000414684279 428375497 /nfs/dbraw/zinc/37/54/97/428375497.db2.gz CZPQBJBZGMKMAC-IEBWSBKVSA-N 2 0 304.478 2.956 20 0 DFADRP C[C@H](C[NH3+])NC(=O)Nc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000414705650 428380305 /nfs/dbraw/zinc/38/03/05/428380305.db2.gz FVEPJVVNAYEGQC-CQSZACIVSA-N 2 0 318.465 2.920 20 0 DFADRP Cc1cc(C)cc(C[N@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@@H]32)c1 ZINC000371294529 428380890 /nfs/dbraw/zinc/38/08/90/428380890.db2.gz LLFWCIXFVDRELC-CEXWTWQISA-N 2 0 302.462 2.987 20 0 DFADRP CC(C)[C@@H](CO)[N@@H+](Cc1ccccc1)C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000414704406 428381504 /nfs/dbraw/zinc/38/15/04/428381504.db2.gz NFRPODQLQQKTFQ-BHIYHBOVSA-N 2 0 304.478 2.894 20 0 DFADRP CCS[C@H](C)c1noc(CN(C)C[C@H]2CC[NH2+][C@@H](C)C2)n1 ZINC000414714906 428382698 /nfs/dbraw/zinc/38/26/98/428382698.db2.gz WCLCBDNBCAERLL-XQQFMLRXSA-N 2 0 312.483 2.704 20 0 DFADRP COc1c(C)cnc(C[NH+]2CCC([C@H]3CC[NH2+]C3)CC2)c1C ZINC000357092764 428385068 /nfs/dbraw/zinc/38/50/68/428385068.db2.gz XLHCXSDLPBTCRN-INIZCTEOSA-N 2 0 303.450 2.529 20 0 DFADRP CC(C)[N@H+]1CCc2nc(CN3CCCC[C@H]3[C@@H](C)[NH3+])sc2C1 ZINC000347074696 428434607 /nfs/dbraw/zinc/43/46/07/428434607.db2.gz TVKQGJJIWKXUNI-HIFRSBDPSA-N 2 0 322.522 2.611 20 0 DFADRP Cc1ccccc1-c1cccc(C[NH2+]CCN2CC[NH2+]CC2)c1 ZINC000414861009 428434907 /nfs/dbraw/zinc/43/49/07/428434907.db2.gz DSGHMODICNGSPS-UHFFFAOYSA-N 2 0 309.457 2.657 20 0 DFADRP C[C@H]([NH2+]Cc1ccc(Br)s1)[C@H]1CCC[NH2+]C1 ZINC000414858150 428435287 /nfs/dbraw/zinc/43/52/87/428435287.db2.gz RAIMWNPYHSLWQZ-UWVGGRQHSA-N 2 0 303.269 2.988 20 0 DFADRP CSc1cc2c(cc1C[NH2+][C@H](C)[C@@H]1CCC[NH2+]C1)OCCO2 ZINC000414854954 428436253 /nfs/dbraw/zinc/43/62/53/428436253.db2.gz MJJGEJMCRVGNRT-CHWSQXEVSA-N 2 0 322.474 2.657 20 0 DFADRP C[C@@H](NC1CC[NH+](Cc2cccs2)CC1)c1nccn1C ZINC000360791076 428440659 /nfs/dbraw/zinc/44/06/59/428440659.db2.gz DKZXPPHYTZUQTI-CYBMUJFWSA-N 2 0 304.463 2.797 20 0 DFADRP CCC[NH2+]CCN[C@H](C)CC(=O)Nc1ccc(C)cc1Cl ZINC000414872306 428441728 /nfs/dbraw/zinc/44/17/28/428441728.db2.gz PJVDTRPQAUUEHO-CYBMUJFWSA-N 2 0 311.857 2.955 20 0 DFADRP c1c(CNCCC[NH2+]Cc2cccnc2)[nH]nc1-c1ccccc1 ZINC000414875793 428441870 /nfs/dbraw/zinc/44/18/70/428441870.db2.gz JTVYUIMZHNRZSX-UHFFFAOYSA-N 2 0 321.428 2.741 20 0 DFADRP CCCN(Cc1cnc(N(CC)CC)s1)C1CC[NH2+]CC1 ZINC000347106137 428446186 /nfs/dbraw/zinc/44/61/86/428446186.db2.gz OACLYYUXKCUXBS-UHFFFAOYSA-N 2 0 310.511 2.953 20 0 DFADRP C[C@@]1(C[NH2+]Cc2cc(Cl)c3c(c2)OCCCO3)CCC[NH2+]C1 ZINC000414898499 428449014 /nfs/dbraw/zinc/44/90/14/428449014.db2.gz GDLRUEYBCOJXMR-QGZVFWFLSA-N 2 0 324.852 2.981 20 0 DFADRP C[C@@H](Cc1ccc(Br)c(F)c1)[NH2+]CCCC[NH3+] ZINC000414896840 428449561 /nfs/dbraw/zinc/44/95/61/428449561.db2.gz AHXGTAYAPTVTFH-JTQLQIEISA-N 2 0 303.219 2.848 20 0 DFADRP Cc1nn(-c2ccc(Cl)cc2)c(C)c1C[NH2+][C@H](C)CC[NH3+] ZINC000414894305 428450432 /nfs/dbraw/zinc/45/04/32/428450432.db2.gz KZKLRRYYWYYHRX-LLVKDONJSA-N 2 0 306.841 2.969 20 0 DFADRP COCCOC[C@H](C)[NH2+][C@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000357241512 428450797 /nfs/dbraw/zinc/45/07/97/428450797.db2.gz XLJYWNRVKYSNNL-SCTDSRPQSA-N 2 0 320.477 2.538 20 0 DFADRP COc1ccc(C[NH2+][C@H]2CCC[C@H]([NH3+])C2)cc1Br ZINC000414906945 428451303 /nfs/dbraw/zinc/45/13/03/428451303.db2.gz ABXNECBSJUTFJY-RYUDHWBXSA-N 2 0 313.239 2.817 20 0 DFADRP C[C@H](CC(=O)Nc1ccc(F)cc1)[NH2+]C[C@]1(C)CCC[NH2+]C1 ZINC000414906548 428451589 /nfs/dbraw/zinc/45/15/89/428451589.db2.gz MGXNWSSVSXUQCS-CXAGYDPISA-N 2 0 307.413 2.522 20 0 DFADRP CC1(C[NH2+]Cc2ccc(OC[C@@H]3CCCO3)cc2)CC[NH2+]CC1 ZINC000414907429 428453007 /nfs/dbraw/zinc/45/30/07/428453007.db2.gz QMIGTNMZGFJHBZ-SFHVURJKSA-N 2 0 318.461 2.724 20 0 DFADRP C[NH2+]CC1CC[NH+](Cc2cnc(-c3ccncc3)s2)CC1 ZINC000347115737 428454171 /nfs/dbraw/zinc/45/41/71/428454171.db2.gz VCXYEKIHFPRTIX-UHFFFAOYSA-N 2 0 302.447 2.637 20 0 DFADRP [NH3+]CCN(CCO)Cc1ccc(Sc2ccccc2)cc1 ZINC000414911858 428454632 /nfs/dbraw/zinc/45/46/32/428454632.db2.gz JDLKMPMYXHZXSG-UHFFFAOYSA-N 2 0 302.443 2.591 20 0 DFADRP COc1ccc(OC(F)F)c(C[NH2+][C@@H]2CCC[C@H]([NH3+])C2)c1 ZINC000414911251 428455199 /nfs/dbraw/zinc/45/51/99/428455199.db2.gz DQCBMFPKCPBJDG-NWDGAFQWSA-N 2 0 300.349 2.656 20 0 DFADRP C[C@H](CC(=O)Nc1cccc(F)c1)[NH2+]C[C@@]1(C)CCC[NH2+]C1 ZINC000414920373 428456172 /nfs/dbraw/zinc/45/61/72/428456172.db2.gz ZEWUPMRDWNIBSZ-DYVFJYSZSA-N 2 0 307.413 2.522 20 0 DFADRP C[C@@]1(CNC2CC[NH+](Cc3ccccc3)CC2)CCC[NH2+]C1 ZINC000414920379 428456507 /nfs/dbraw/zinc/45/65/07/428456507.db2.gz ZGFJWVDVVCVDPP-LJQANCHMSA-N 2 0 301.478 2.630 20 0 DFADRP C[C@@H](CC(=O)Nc1cccc(F)c1)[NH2+]C[C@]1(C)CCC[NH2+]C1 ZINC000414920375 428456858 /nfs/dbraw/zinc/45/68/58/428456858.db2.gz ZEWUPMRDWNIBSZ-SUMWQHHRSA-N 2 0 307.413 2.522 20 0 DFADRP CC[NH+](CC)Cc1ccc(CNC(=O)[C@H]2CCC[C@@H]2C[NH3+])cc1 ZINC000390176322 428470683 /nfs/dbraw/zinc/47/06/83/428470683.db2.gz BFGKACGCAWXEEG-MSOLQXFVSA-N 2 0 317.477 2.520 20 0 DFADRP Cc1nc(COc2ccc(C[NH2+]C[C@@H]3CC[NH2+]C3)cc2)cs1 ZINC000414918968 428457762 /nfs/dbraw/zinc/45/77/62/428457762.db2.gz VQCFQKLYKBYEHE-OAHLLOKOSA-N 2 0 317.458 2.730 20 0 DFADRP FC(F)(F)c1ccn(-c2ccc(C[NH2+]C[C@H]3CC[NH2+]C3)cc2)n1 ZINC000414920237 428458013 /nfs/dbraw/zinc/45/80/13/428458013.db2.gz YTRHZNDXRFHSKA-ZDUSSCGKSA-N 2 0 324.350 2.590 20 0 DFADRP CC(C)[N@H+](C)C[C@@H](O)C[NH+](Cc1ccccc1)[C@H](C)C1CC1 ZINC000385379661 428459996 /nfs/dbraw/zinc/45/99/96/428459996.db2.gz ZCMHYYPRHSNSBS-VQIMIIECSA-N 2 0 304.478 2.988 20 0 DFADRP CC(C)[N@H+](C)C[C@H](O)C[NH+](Cc1ccccc1)[C@H](C)C1CC1 ZINC000385379658 428460439 /nfs/dbraw/zinc/46/04/39/428460439.db2.gz ZCMHYYPRHSNSBS-APWZRJJASA-N 2 0 304.478 2.988 20 0 DFADRP Cc1cnc(CN2CCC[N@H+](Cc3ccc(F)cc3)CC2)n1C ZINC000342800956 428460692 /nfs/dbraw/zinc/46/06/92/428460692.db2.gz VRJJKKKVQVVGRM-UHFFFAOYSA-N 2 0 316.424 2.576 20 0 DFADRP Cn1cc(-c2ccc(C[NH2+]CCC[C@@H]3CCC[NH2+]3)s2)cn1 ZINC000414959925 428470976 /nfs/dbraw/zinc/47/09/76/428470976.db2.gz GBTSCCAKEODRBS-CQSZACIVSA-N 2 0 304.463 2.770 20 0 DFADRP C[C@@H]1C[NH2+]CC[C@@H]1[NH2+]Cc1cccc(OCc2ccccn2)c1 ZINC000414951592 428468687 /nfs/dbraw/zinc/46/86/87/428468687.db2.gz HOXBRTIOGUGRMB-BEFAXECRSA-N 2 0 311.429 2.748 20 0 DFADRP CCCCOc1cc(C[NH2+][C@@H]2CC[NH2+]C[C@@H]2C)ccc1OC ZINC000414952672 428469568 /nfs/dbraw/zinc/46/95/68/428469568.db2.gz IOMWCMVNVZIWEP-GOEBONIOSA-N 2 0 306.450 2.962 20 0 DFADRP C[C@H]1CCCC[C@H]1[NH+]1CCC([NH2+]CCc2cnccn2)CC1 ZINC000378504128 428414842 /nfs/dbraw/zinc/41/48/42/428414842.db2.gz BKBBMVYTWJPYOR-MAUKXSAKSA-N 2 0 302.466 2.652 20 0 DFADRP CCC(C)(C)[NH2+][C@H](C)C(=O)NCCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000347033685 428415125 /nfs/dbraw/zinc/41/51/25/428415125.db2.gz FFOYULVZJPJCHS-HRCADAONSA-N 2 0 311.514 2.637 20 0 DFADRP Cc1cccc(NC(=O)C[C@H](C)[NH2+][C@H]2CCC[C@H]2C[NH3+])c1C ZINC000414809002 428417567 /nfs/dbraw/zinc/41/75/67/428417567.db2.gz SZYMIXDPALXEKP-QRTARXTBSA-N 2 0 303.450 2.738 20 0 DFADRP [NH3+]C[C@H]1CCCC[C@H]1NC1CC[NH+](CCc2ccccc2)CC1 ZINC000414815112 428420655 /nfs/dbraw/zinc/42/06/55/428420655.db2.gz ZYGBQWFXBSDRIM-UYAOXDASSA-N 3 0 315.505 2.801 20 0 DFADRP C[C@@H]([NH3+])CC[NH2+]Cc1cc(Cl)ccc1OC[C@@H]1CCCO1 ZINC000414818367 428422582 /nfs/dbraw/zinc/42/25/82/428422582.db2.gz DVHUVZKTCCGOAX-DOMZBBRYSA-N 2 0 312.841 2.725 20 0 DFADRP CC[C@@H](Cc1ccc(OC)c(OC)c1)[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000414826060 428425369 /nfs/dbraw/zinc/42/53/69/428425369.db2.gz ICCPLZRZFNTOLE-PMRDEQMMSA-N 2 0 318.461 2.898 20 0 DFADRP Brc1cccc(CC[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC000414826055 428425848 /nfs/dbraw/zinc/42/58/48/428425848.db2.gz IBTHKCNGEPYXRM-YIONKMFJSA-N 2 0 309.251 2.864 20 0 DFADRP CCCn1nc(C)c(C[NH2+]CC2(SC)CC[NH+](C)CC2)c1C ZINC000353198327 428428970 /nfs/dbraw/zinc/42/89/70/428428970.db2.gz ZEQMYANRICATRA-UHFFFAOYSA-N 2 0 324.538 2.827 20 0 DFADRP C[C@H](c1nc(-c2cccc(F)c2)no1)N1CC[C@@H](C[NH+](C)C)C1 ZINC000372330507 428429692 /nfs/dbraw/zinc/42/96/92/428429692.db2.gz LFDDNYKWRITZOG-OLZOCXBDSA-N 2 0 318.396 2.820 20 0 DFADRP C[NH2+]C[C@@H](C)C[NH2+]Cc1cn(C)nc1-c1ccccc1Cl ZINC000414845776 428432240 /nfs/dbraw/zinc/43/22/40/428432240.db2.gz SSDMVUQTRCCWIS-GFCCVEGCSA-N 2 0 306.841 2.686 20 0 DFADRP CSC1(C[NH2+]Cc2cnc3ccc(C)cn23)CC[NH+](C)CC1 ZINC000353211160 428432512 /nfs/dbraw/zinc/43/25/12/428432512.db2.gz NKWOOIQXGOKPLR-UHFFFAOYSA-N 2 0 318.490 2.560 20 0 DFADRP C[C@H](NC1CC[NH+](CCc2ccccc2)CC1)[C@H]1CCC[NH2+]C1 ZINC000414847570 428432829 /nfs/dbraw/zinc/43/28/29/428432829.db2.gz FUTVUJMSRHRFRQ-HKUYNNGSSA-N 2 0 315.505 2.671 20 0 DFADRP Fc1ccc(-n2cc(C[NH2+]CCC[C@H]3CCC[NH2+]3)cn2)cc1 ZINC000414979125 428479599 /nfs/dbraw/zinc/47/95/99/428479599.db2.gz UZDJNHLHKAXMCR-INIZCTEOSA-N 2 0 302.397 2.633 20 0 DFADRP [NH3+]CCCCNC(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC000414981585 428480196 /nfs/dbraw/zinc/48/01/96/428480196.db2.gz XWBWXYHDDGEJBC-UHFFFAOYSA-N 2 0 318.465 2.575 20 0 DFADRP Cc1nn2c(C[NH2+]CCC[C@H]3CCC[NH2+]3)c(C(C)C)nc2s1 ZINC000414979090 428480461 /nfs/dbraw/zinc/48/04/61/428480461.db2.gz USYCNQQCOPOHGP-ZDUSSCGKSA-N 2 0 321.494 2.844 20 0 DFADRP COc1cc(C[NH2+]C[C@H]2CCC[C@@H]([NH3+])C2)cc(Cl)c1OC ZINC000414986946 428480554 /nfs/dbraw/zinc/48/05/54/428480554.db2.gz CXRMMTJWRCQXFT-WCQYABFASA-N 2 0 312.841 2.964 20 0 DFADRP CC[C@@H]([NH3+])C[NH2+][C@@H](C)CC(=O)Nc1ccccc1C(F)(F)F ZINC000414984003 428480605 /nfs/dbraw/zinc/48/06/05/428480605.db2.gz FNOQCXQHRSVSMA-WDEREUQCSA-N 2 0 317.355 2.749 20 0 DFADRP C[N@H+]1CC=C(C[NH2+][C@@H]2CCC[C@H](NC(=O)OC(C)(C)C)C2)CC1 ZINC000392196582 428480922 /nfs/dbraw/zinc/48/09/22/428480922.db2.gz DGQUMGAMOOATEW-CVEARBPZSA-N 2 0 323.481 2.674 20 0 DFADRP COCCCOc1cccc(C[NH2+]C[C@H]2CCC[C@@H]([NH3+])C2)c1 ZINC000414995127 428482025 /nfs/dbraw/zinc/48/20/25/428482025.db2.gz NBSXEVDDOSIOAD-DOTOQJQBSA-N 2 0 306.450 2.709 20 0 DFADRP c1sc(-c2ccccn2)nc1C[NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000415000377 428484717 /nfs/dbraw/zinc/48/47/17/428484717.db2.gz AWVMTYAUPFUESN-GOEBONIOSA-N 2 0 314.458 2.683 20 0 DFADRP C[C@@H](c1ccccc1)N1CC[C@@H]([NH2+][C@@H]2C[C@H]2C2CC[NH2+]CC2)C1 ZINC000415000205 428486556 /nfs/dbraw/zinc/48/65/56/428486556.db2.gz AKKYQACYBHLNPY-JOCLIGHLSA-N 3 0 313.489 2.800 20 0 DFADRP CSc1cc2c(cc1C[NH2+]C[C@H]1CCC[C@@H]([NH3+])C1)OCCO2 ZINC000415005069 428487276 /nfs/dbraw/zinc/48/72/76/428487276.db2.gz YVSBDSFEHHNZSA-GXTWGEPZSA-N 2 0 322.474 2.787 20 0 DFADRP C[C@@H]([NH3+])[C@@H](C)[NH2+][C@H](C)Cc1ccc(Br)c(F)c1 ZINC000415004830 428487490 /nfs/dbraw/zinc/48/74/90/428487490.db2.gz AGLORDCIDWWMDE-OPRDCNLKSA-N 2 0 303.219 2.845 20 0 DFADRP Brc1ccccc1C[NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000415006319 428487536 /nfs/dbraw/zinc/48/75/36/428487536.db2.gz KITZAHZWJJHPKW-DZGCQCFKSA-N 2 0 309.251 2.927 20 0 DFADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@H]2Cc3ccccc3N(C)C2)[C@@H](C)C1 ZINC000372682029 428487996 /nfs/dbraw/zinc/48/79/96/428487996.db2.gz LJKYGUAIXGHEDX-JZXOWHBKSA-N 2 0 301.478 2.615 20 0 DFADRP COC(=O)c1ccc(Cl)c(C[NH2+][C@@H]2C[C@H]2C2CC[NH2+]CC2)c1 ZINC000415010861 428488315 /nfs/dbraw/zinc/48/83/15/428488315.db2.gz PZYDXSOEQJGGHQ-GOEBONIOSA-N 2 0 322.836 2.604 20 0 DFADRP COC1CC([NH2+]Cc2ccc(C[NH+]3C[C@@H](C)O[C@H](C)C3)cc2)C1 ZINC000347194590 428488453 /nfs/dbraw/zinc/48/84/53/428488453.db2.gz HQHHFXQTYYFWFY-QAQJPARQSA-N 2 0 318.461 2.563 20 0 DFADRP Fc1cc(C[NH2+][C@@H]2C[C@H]2C2CC[NH2+]CC2)ccc1OC(F)F ZINC000415010487 428488905 /nfs/dbraw/zinc/48/89/05/428488905.db2.gz PHDLATKAEHRYQK-GXTWGEPZSA-N 2 0 314.351 2.905 20 0 DFADRP COc1ccc(Br)cc1C[NH2+][C@@H](C)CCC[NH3+] ZINC000415021761 428490096 /nfs/dbraw/zinc/49/00/96/428490096.db2.gz KOERRFFAPHBWLN-JTQLQIEISA-N 2 0 301.228 2.675 20 0 DFADRP CCC[N@H+](CC)Cc1ccc(C(=O)N2CC[NH2+]C(C)(C)C2)cc1 ZINC000357340170 428491684 /nfs/dbraw/zinc/49/16/84/428491684.db2.gz DWXMTPKZPAROAQ-UHFFFAOYSA-N 2 0 317.477 2.743 20 0 DFADRP CCOc1cc(C[NH2+][C@@H]2CC[C@H](C[NH3+])C2)cc(Cl)c1OC ZINC000415034239 428494759 /nfs/dbraw/zinc/49/47/59/428494759.db2.gz JTLHZELSKFQOSW-WCQYABFASA-N 2 0 312.841 2.964 20 0 DFADRP Clc1ccc([C@@H]2CCC[C@@H]2[NH2+]C[C@@H]2C[NH2+]CCCO2)cc1 ZINC000415037306 428494855 /nfs/dbraw/zinc/49/48/55/428494855.db2.gz KWMZGITXGWYXME-ULQDDVLXSA-N 2 0 308.853 2.944 20 0 DFADRP CC(C)[N@H+](C)CCN[C@@H]1CC[NH+](Cc2ccccc2)C[C@H]1C ZINC000360933047 428497188 /nfs/dbraw/zinc/49/71/88/428497188.db2.gz IDNJGWJLJCIGHD-IEBWSBKVSA-N 2 0 303.494 2.827 20 0 DFADRP CC[C@H](Cc1ccccc1)[NH2+]C1CCC([NH+]2CCNCC2)CC1 ZINC000415047164 428497285 /nfs/dbraw/zinc/49/72/85/428497285.db2.gz DXKBZVGUQIVCMD-XEVCZEQESA-N 2 0 315.505 2.814 20 0 DFADRP C[C@@H]1C[C@@H](C[N@@H+]2CCN(Cc3ccccc3)[C@@H](C)C2)CC[NH2+]1 ZINC000396344734 428497384 /nfs/dbraw/zinc/49/73/84/428497384.db2.gz PAVYJMJODPMGCR-AOIWGVFYSA-N 2 0 301.478 2.581 20 0 DFADRP C[C@@H]1C[C@H]([NH2+]C[C@@H]2C[NH2+]CCCO2)C[C@@H](c2ccccc2)C1 ZINC000415041585 428497400 /nfs/dbraw/zinc/49/74/00/428497400.db2.gz PMVGKYFICYGNNJ-WNHJNPCNSA-N 2 0 302.462 2.927 20 0 DFADRP c1c2ccccc2oc1C[NH2+]C1CCC(N2CC[NH2+]CC2)CC1 ZINC000415045956 428497683 /nfs/dbraw/zinc/49/76/83/428497683.db2.gz CCBPLAZDQQIAAZ-UHFFFAOYSA-N 2 0 313.445 2.739 20 0 DFADRP [NH3+]C[C@H]1CC[C@H]([NH2+]Cc2ccccc2OCC(F)(F)F)C1 ZINC000415050272 428499983 /nfs/dbraw/zinc/49/99/83/428499983.db2.gz YEUMMJURPJMNOT-AAEUAGOBSA-N 2 0 302.340 2.845 20 0 DFADRP C[C@@H]1C[N@H+](Cc2ccc(OC[C@H]3CCCO3)cc2)C[C@@]1(C)C[NH3+] ZINC000415050901 428501350 /nfs/dbraw/zinc/50/13/50/428501350.db2.gz DUFMHRKOBDVICR-ATZDWAIDSA-N 2 0 318.461 2.661 20 0 DFADRP COC(=O)C1CCC([NH2+][C@H](CCC[NH3+])c2ccccc2)CC1 ZINC000415050651 428501912 /nfs/dbraw/zinc/50/19/12/428501912.db2.gz IYEIFZLXDPKIPL-OFLPRAFFSA-N 2 0 304.434 2.788 20 0 DFADRP COc1ccc(C[N@@H+]2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)cc1OC ZINC000415057039 428502867 /nfs/dbraw/zinc/50/28/67/428502867.db2.gz SYTGHBBOAUABHK-HZPDHXFCSA-N 2 0 304.434 2.668 20 0 DFADRP Cc1nn(-c2ccccc2)c(C)c1C[N@H+]1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000415058715 428504599 /nfs/dbraw/zinc/50/45/99/428504599.db2.gz WLSNGNPXBSUFLR-AUUYWEPGSA-N 2 0 312.461 2.906 20 0 DFADRP C[C@@H]1CN(C2CC[NH+]([C@H]3CCC[C@H](C)C3)CC2)C[C@@]1(C)C[NH3+] ZINC000415058427 428504807 /nfs/dbraw/zinc/50/48/07/428504807.db2.gz ROOSJUHKRXCCRI-OGWHTMIXSA-N 2 0 307.526 2.946 20 0 DFADRP c1ccc(C[NH+]2CCCCCC2)c(CN[C@@H]2CCC[NH2+]C2)c1 ZINC000415066722 428507988 /nfs/dbraw/zinc/50/79/88/428507988.db2.gz APDPHPQKMFAMTJ-LJQANCHMSA-N 2 0 301.478 2.904 20 0 DFADRP CC[NH+](CC)C[C@H]1CCCC[C@@H]1NCC(=O)Nc1nccs1 ZINC000360955088 428509245 /nfs/dbraw/zinc/50/92/45/428509245.db2.gz AZNHYDDVZFGARG-KGLIPLIRSA-N 2 0 324.494 2.572 20 0 DFADRP Fc1ccc(OCC[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)c(F)c1 ZINC000415074876 428509399 /nfs/dbraw/zinc/50/93/99/428509399.db2.gz AYDBPFPXAXMCGG-BMFZPTHFSA-N 2 0 310.388 2.854 20 0 DFADRP C[C@H]([NH2+]CC1(c2ccccc2Cl)CCOCC1)[C@@H]1CC[NH2+]C1 ZINC000415074949 428510850 /nfs/dbraw/zinc/51/08/50/428510850.db2.gz DCRMSGHTCIEMAA-LSDHHAIUSA-N 2 0 322.880 2.976 20 0 DFADRP C[C@@H]([NH2+][C@@H]1CCC[NH2+]CC1)c1cccc(N2CCCC2=O)c1 ZINC000415079484 428511626 /nfs/dbraw/zinc/51/16/26/428511626.db2.gz IBCOHSNFLGBEOB-GDBMZVCRSA-N 2 0 301.434 2.606 20 0 DFADRP CC[NH+](CC)[C@H](C(=O)N[C@@H]1CC[N@H+](C)[C@H](C)C1)c1ccccc1 ZINC000357391154 428511659 /nfs/dbraw/zinc/51/16/59/428511659.db2.gz LNOBPASBDRFTME-NXHRZFHOSA-N 2 0 317.477 2.668 20 0 DFADRP C[C@@H]1C[C@@H]([NH2+]CC2(O)CC[NH+](Cc3ccccc3)CC2)[C@H]1C ZINC000397493315 428512756 /nfs/dbraw/zinc/51/27/56/428512756.db2.gz NBLYVDNRUPRSQS-SOLBZPMBSA-N 2 0 302.462 2.648 20 0 DFADRP C[NH+](C)C1(CNC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)CCCC1 ZINC000343074796 428513734 /nfs/dbraw/zinc/51/37/34/428513734.db2.gz WYIWXKUJNOKVIU-KRWDZBQOSA-N 2 0 321.509 2.774 20 0 DFADRP c1nn(-c2ccccc2)cc1CC[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000415078768 428513859 /nfs/dbraw/zinc/51/38/59/428513859.db2.gz GYEZOCOROHDESQ-ZCNNSNEGSA-N 2 0 324.472 2.925 20 0 DFADRP Clc1cccnc1OCC[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000415081820 428513906 /nfs/dbraw/zinc/51/39/06/428513906.db2.gz CHCUVZZKEQSUQT-YUELXQCFSA-N 2 0 309.841 2.624 20 0 DFADRP CC(C)CC(=O)N1CCC([NH2+][C@H](C)C[C@H]2CCCCC[NH2+]2)CC1 ZINC000415085773 428515167 /nfs/dbraw/zinc/51/51/67/428515167.db2.gz QUZBRVMGWQKPEV-SJLPKXTDSA-N 2 0 323.525 2.924 20 0 DFADRP c1sc(CCC[NH2+][C@@H]2CCC[NH2+]CC2)nc1-c1ccncc1 ZINC000415087845 428515494 /nfs/dbraw/zinc/51/54/94/428515494.db2.gz VHBQPCFKZRNAFV-OAHLLOKOSA-N 2 0 316.474 2.869 20 0 DFADRP CC[NH+]1CCC(N(C)Cc2ccc3c(c2)sc(=O)n3C)CC1 ZINC000353385758 428516271 /nfs/dbraw/zinc/51/62/71/428516271.db2.gz WODBKSQFDOXKAB-UHFFFAOYSA-N 2 0 319.474 2.516 20 0 DFADRP C[C@@H]1C[C@H]([NH2+][C@H]2CCCC[C@@H]2C[NH3+])CN1Cc1ccccc1 ZINC000398018169 428516442 /nfs/dbraw/zinc/51/64/42/428516442.db2.gz ILYVJPZVVZOJQB-YSHGAJCASA-N 2 0 301.478 2.757 20 0 DFADRP Brc1cccc(C2(C[NH2+]C3CC[NH2+]CC3)CC2)c1 ZINC000415103572 428521810 /nfs/dbraw/zinc/52/18/10/428521810.db2.gz KOVVMTZAFJREDX-UHFFFAOYSA-N 2 0 309.251 2.822 20 0 DFADRP C[N@@H+]1CCCC[C@H]1CN1CC[NH+](CCCc2ccsc2)CC1 ZINC000360974099 428522946 /nfs/dbraw/zinc/52/29/46/428522946.db2.gz DFMUZYGYGHZZMY-SFHVURJKSA-N 2 0 321.534 2.783 20 0 DFADRP CC[NH+]1CCN(c2ccc(N[C@@H](C)[C@@H]3CC[NH2+]C3)c(C)c2)CC1 ZINC000415111436 428523353 /nfs/dbraw/zinc/52/33/53/428523353.db2.gz BZFGUFOKHAIRPT-DLBZAZTESA-N 2 0 316.493 2.547 20 0 DFADRP [NH3+]CCCN(c1cccc(F)c1)[C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000415111424 428525297 /nfs/dbraw/zinc/52/52/97/428525297.db2.gz BXELQRSPTTVJMR-FGTMMUONSA-N 2 0 305.441 2.902 20 0 DFADRP CCC[C@H](C(=O)N[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1)[NH+](C)C ZINC000343155702 428528210 /nfs/dbraw/zinc/52/82/10/428528210.db2.gz WEHKDQLMQIZAGP-RYQLBKOJSA-N 2 0 317.477 2.668 20 0 DFADRP Cc1ccc(F)c(C[NH+]2CCC([C@H]3C[C@@H]([NH3+])CCO3)CC2)c1 ZINC000415124353 428529233 /nfs/dbraw/zinc/52/92/33/428529233.db2.gz MNWZWHWIEBHVMO-FUHWJXTLSA-N 2 0 306.425 2.852 20 0 DFADRP COc1ccc(C[NH+]2CCC([C@@H]3OCCC[C@@H]3[NH3+])CC2)cc1F ZINC000415125900 428530128 /nfs/dbraw/zinc/53/01/28/428530128.db2.gz LNEWNENXZHZQSN-WMZOPIPTSA-N 2 0 322.424 2.553 20 0 DFADRP CC[N@@H+]1CC[C@H](NC2C[C@H]3CC[C@@H](C2)[NH+]3Cc2ccccc2)C1 ZINC000390694455 428473888 /nfs/dbraw/zinc/47/38/88/428473888.db2.gz QZUUIDOFWBHLMA-UMQXSMKFSA-N 2 0 313.489 2.866 20 0 DFADRP C[C@@H]1C[NH2+]CC[C@H]1[NH2+]Cc1c[nH]nc1-c1ccc(Cl)cc1 ZINC000414963672 428474960 /nfs/dbraw/zinc/47/49/60/428474960.db2.gz ULCLYRJJTDEKQD-IAQYHMDHSA-N 2 0 304.825 2.818 20 0 DFADRP COCC1(C[NH2+][C@@H]2CCC[C@@H]2c2ccccc2)CC[NH2+]CC1 ZINC000414977121 428477646 /nfs/dbraw/zinc/47/76/46/428477646.db2.gz QOFPDMVAGAOPKD-QZTJIDSGSA-N 2 0 302.462 2.929 20 0 DFADRP CC[C@H](C(=O)N[C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1)[NH+](CC)CC ZINC000358123523 428582414 /nfs/dbraw/zinc/58/24/14/428582414.db2.gz MVWIQEPVDJLRFK-LZLYRXPVSA-N 2 0 323.525 2.876 20 0 DFADRP C[N@@H+]1CCCC[C@@H]1CCN1CC(C)(C)O[C@]2(CCCOC2)C1 ZINC000361609175 428583121 /nfs/dbraw/zinc/58/31/21/428583121.db2.gz IOMKIECQUSUQSY-SJLPKXTDSA-N 2 0 310.482 2.521 20 0 DFADRP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+]1CCSCC[C@@H]1C ZINC000361648216 428585451 /nfs/dbraw/zinc/58/54/51/428585451.db2.gz PEKDICHIYUYPDZ-ZDUSSCGKSA-N 2 0 302.447 2.903 20 0 DFADRP CCc1ccc(C[NH+]2CCC([C@H]3C[C@H]([NH3+])CCO3)CC2)cc1 ZINC000415130475 428532263 /nfs/dbraw/zinc/53/22/63/428532263.db2.gz XBJPTLDPAYPPFC-RTBURBONSA-N 2 0 302.462 2.967 20 0 DFADRP CCC[C@@H]([NH2+]C(C)C)C(=O)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000353436839 428533363 /nfs/dbraw/zinc/53/33/63/428533363.db2.gz ACEPFOFPVKFAOJ-DLBZAZTESA-N 2 0 309.498 2.630 20 0 DFADRP C[N@@H+]1CCCC[C@H]1CCC(=O)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000353431157 428534368 /nfs/dbraw/zinc/53/43/68/428534368.db2.gz LAFIGWROIASYMK-ROUUACIJSA-N 2 0 321.509 2.728 20 0 DFADRP Cc1cc(C)cc(C[N@@H+]2CC3(CC[NH2+]CC3)[C@@H]3COC[C@@H]32)c1 ZINC000415134683 428534684 /nfs/dbraw/zinc/53/46/84/428534684.db2.gz PERURDXQRZYWIP-MSOLQXFVSA-N 2 0 300.446 2.504 20 0 DFADRP Cc1cc(Cl)ccc1C[N@@H+]1CC2(CC[NH2+]CC2)[C@@H]2COC[C@@H]21 ZINC000415135559 428534976 /nfs/dbraw/zinc/53/49/76/428534976.db2.gz GFBKISVHUCQQNQ-SJORKVTESA-N 2 0 320.864 2.849 20 0 DFADRP CCC[C@@](C)(CC)C(=O)N(C)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000373503517 428593637 /nfs/dbraw/zinc/59/36/37/428593637.db2.gz SGAJEPJEIMDKJI-IEBWSBKVSA-N 2 0 323.525 2.830 20 0 DFADRP CC[NH+](CC)CCOc1ccc(C[NH2+]C2CC(OC)C2)cc1 ZINC000347306258 428538927 /nfs/dbraw/zinc/53/89/27/428538927.db2.gz RBXLEPLIKNQRFG-UHFFFAOYSA-N 2 0 306.450 2.674 20 0 DFADRP CCCC[N@H+](C)CC1CCN(C(=O)[C@@H](C(C)C)[C@@H](C)[NH3+])CC1 ZINC000399492406 428539707 /nfs/dbraw/zinc/53/97/07/428539707.db2.gz AXJDBYNNBMUAEM-WBVHZDCISA-N 2 0 311.514 2.576 20 0 DFADRP CC[NH+](CC)[C@H](CNC(=O)[C@@H](C(C)C)[C@@H](C)[NH3+])c1ccccc1 ZINC000399403697 428539823 /nfs/dbraw/zinc/53/98/23/428539823.db2.gz XDGPPGXFYNQQGK-NXHRZFHOSA-N 2 0 319.493 2.805 20 0 DFADRP CC(C)[C@H](C(=O)NC[C@H](c1ccccc1)[NH+]1CCCC1)[C@H](C)[NH3+] ZINC000399390330 428540238 /nfs/dbraw/zinc/54/02/38/428540238.db2.gz RZZSZPYBQUPREV-JQHSSLGASA-N 2 0 317.477 2.559 20 0 DFADRP COCCOc1cccc(C[NH2+][C@@H]2CC[N@H+](C)[C@@H]3CCC[C@H]32)c1 ZINC000353451521 428541462 /nfs/dbraw/zinc/54/14/62/428541462.db2.gz AEHZIOKUICFJSP-IPMKNSEASA-N 2 0 318.461 2.674 20 0 DFADRP C[N@@H+]1CC[C@H]([NH2+]CCc2ccc(-n3cccn3)cc2)[C@@H]2CCC[C@@H]21 ZINC000353451488 428542053 /nfs/dbraw/zinc/54/20/53/428542053.db2.gz ABCJDMAOUYANOF-UFYCRDLUSA-N 2 0 324.472 2.877 20 0 DFADRP CO[C@@H](C[NH2+]C[C@@H]1CCC[N@H+](Cc2ccccc2)C1)C1CC1 ZINC000400169987 428544114 /nfs/dbraw/zinc/54/41/14/428544114.db2.gz KDHZROAOKIKLHH-HKUYNNGSSA-N 2 0 302.462 2.913 20 0 DFADRP CC(C)[C@H](CN(C)Cc1ccccc1)[NH2+][C@@H](C)[C@H]1CC[NH2+]C1 ZINC000400337552 428544266 /nfs/dbraw/zinc/54/42/66/428544266.db2.gz DRTCNDVXWIBTMX-WDSOQIARSA-N 2 0 303.494 2.731 20 0 DFADRP C[C@H](NCC1([N@H+](C)Cc2ccccc2)CCC1)[C@@H]1CC[NH2+]C1 ZINC000400365878 428544629 /nfs/dbraw/zinc/54/46/29/428544629.db2.gz DZQUPNTVGNDDDB-FUHWJXTLSA-N 2 0 301.478 2.629 20 0 DFADRP C[C@H](CC[NH+](C)C)[NH2+][C@@H](C)[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000400467582 428546087 /nfs/dbraw/zinc/54/60/87/428546087.db2.gz WQBDYFZCKTZTKX-QLFBSQMISA-N 2 0 313.486 2.704 20 0 DFADRP C[C@H](CCOCc1ccccc1)[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000401005514 428550937 /nfs/dbraw/zinc/55/09/37/428550937.db2.gz OZCSELZSVFNMJW-OQIJWPOYSA-N 2 0 302.462 2.960 20 0 DFADRP C[C@@H](C[NH2+]C[C@@H](O)C[NH+]1CCC(C)CC1)Cc1ccccc1 ZINC000347334630 428550977 /nfs/dbraw/zinc/55/09/77/428550977.db2.gz RNICMNQDROLGJS-IEBWSBKVSA-N 2 0 304.478 2.548 20 0 DFADRP C[C@@H]1[C@H]([NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)CCN1Cc1ccccc1 ZINC000401018512 428551220 /nfs/dbraw/zinc/55/12/20/428551220.db2.gz JSFPYNLKKPSWNG-HKUYMTLNSA-N 3 0 313.489 2.627 20 0 DFADRP C[C@H](C[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1)COCc1ccccc1 ZINC000401103363 428551419 /nfs/dbraw/zinc/55/14/19/428551419.db2.gz DPASNSDDCZLFEL-XGXHKWSGSA-N 2 0 302.462 2.817 20 0 DFADRP c1ccc(COCCCC[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000400909718 428551478 /nfs/dbraw/zinc/55/14/78/428551478.db2.gz AXZCXKSWXBNRMW-GUDVDZBRSA-N 2 0 302.462 2.961 20 0 DFADRP Brc1ccc(C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)s1 ZINC000401017402 428551527 /nfs/dbraw/zinc/55/15/27/428551527.db2.gz OWBQFLSLILCFMK-HBNTYKKESA-N 2 0 315.280 2.988 20 0 DFADRP CCCN(CC)C[C@H](C)[NH2+]C1CCN(c2ccccn2)CC1 ZINC000353482008 428555796 /nfs/dbraw/zinc/55/57/96/428555796.db2.gz DYEHHEWYNNWLEL-INIZCTEOSA-N 2 0 304.482 2.760 20 0 DFADRP C[C@H]([NH2+][C@@H](CO)C1CCCC1)c1cccc(OCC[NH+](C)C)c1 ZINC000353489794 428561763 /nfs/dbraw/zinc/56/17/63/428561763.db2.gz JYRZATCEKPUJGW-KXBFYZLASA-N 2 0 320.477 2.829 20 0 DFADRP CC(C)[C@@H]1CCC[C@H]([NH2+][C@H]2CCN(C3CC[NH+](C)CC3)C2)C1 ZINC000373392971 428565415 /nfs/dbraw/zinc/56/54/15/428565415.db2.gz KNAWYTMPEMHQNM-SQNIBIBYSA-N 2 0 307.526 2.959 20 0 DFADRP COc1cc(C)c(C[N@@H+]2CCC[C@@H](C)[C@@H]2CC[NH3+])cc1OC ZINC000404365829 428569047 /nfs/dbraw/zinc/56/90/47/428569047.db2.gz HFSYXSWCEBVHKL-CJNGLKHVSA-N 2 0 306.450 2.962 20 0 DFADRP CCO[C@@H]1C[N@H+](Cc2ccc3cc(OC)ccc3c2)C[C@H]1C[NH3+] ZINC000405360917 428577762 /nfs/dbraw/zinc/57/77/62/428577762.db2.gz CEQAJBZONIFIFQ-IEBWSBKVSA-N 2 0 314.429 2.644 20 0 DFADRP CC(C)NC(=O)[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[N@H+](C)[C@@H]3CCC[C@H]32)C1 ZINC000353526550 428579299 /nfs/dbraw/zinc/57/92/99/428579299.db2.gz AZWQFNHLSJDISW-DISONHOPSA-N 2 0 321.509 2.532 20 0 DFADRP CC(C)[N@@H+](C)C[C@@H](C)N[C@H]1C[NH+](Cc2ccccc2)C[C@H]1C ZINC000353568725 428600919 /nfs/dbraw/zinc/60/09/19/428600919.db2.gz BJGFUZSIXBIKMA-LMMKCTJWSA-N 2 0 303.494 2.825 20 0 DFADRP CSC1(C[NH2+][C@@H](C)c2cnn(C(C)C)c2)CC[NH+](C)CC1 ZINC000353610501 428619998 /nfs/dbraw/zinc/61/99/98/428619998.db2.gz NDSPPNLTKRJWAC-AWEZNQCLSA-N 2 0 310.511 2.942 20 0 DFADRP C[NH2+]Cc1ccccc1NC(=O)NC[C@H](C)[N@@H+]1CCCC[C@H]1C ZINC000415896627 428620194 /nfs/dbraw/zinc/62/01/94/428620194.db2.gz DRGFRAFZMOYBOV-CABCVRRESA-N 2 0 318.465 2.790 20 0 DFADRP C[N@@H+]1CC[C@H]([NH2+]Cc2ccnc(OC3CCC3)c2)[C@@H]2CCC[C@H]21 ZINC000353611814 428620818 /nfs/dbraw/zinc/62/08/18/428620818.db2.gz FRLWAEZYGCOJMD-OKZBNKHCSA-N 2 0 315.461 2.975 20 0 DFADRP CC[NH2+]Cc1cccc(NC(=O)N2CC[C@H](C[N@H+](C)CC)C2)c1 ZINC000415909044 428621629 /nfs/dbraw/zinc/62/16/29/428621629.db2.gz RLBZMGHZMKHJII-MRXNPFEDSA-N 2 0 318.465 2.602 20 0 DFADRP CC[NH2+]Cc1ccccc1NC(=O)N1CCC[N@@H+](C(C)C)CC1 ZINC000415961645 428634576 /nfs/dbraw/zinc/63/45/76/428634576.db2.gz VYAIYYJXGRJSFK-UHFFFAOYSA-N 2 0 318.465 2.744 20 0 DFADRP CC[NH2+]Cc1ccccc1NC(=O)N(C)C[C@@H]1CCC[N@H+](C)C1 ZINC000415957926 428634635 /nfs/dbraw/zinc/63/46/35/428634635.db2.gz QMIMLOMEWGZBOI-OAHLLOKOSA-N 2 0 318.465 2.602 20 0 DFADRP CC[N@@H+]1CC[C@@H](N(C)C(=O)Nc2ccccc2C[NH2+]C)[C@@H](C)C1 ZINC000415912463 428624522 /nfs/dbraw/zinc/62/45/22/428624522.db2.gz LITAQHJJXJLUJN-WMLDXEAASA-N 2 0 318.465 2.600 20 0 DFADRP C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)C1(C[NH+](C)C)CCCCC1 ZINC000358705416 428634704 /nfs/dbraw/zinc/63/47/04/428634704.db2.gz MFZJSFBRVPMQGE-IAGOWNOFSA-N 2 0 323.525 2.735 20 0 DFADRP CC[NH2+]Cc1cccc(NC(=O)N(CC)CCC[NH+](C)C)c1 ZINC000415919545 428626175 /nfs/dbraw/zinc/62/61/75/428626175.db2.gz NGCPUICMZREQII-UHFFFAOYSA-N 2 0 306.454 2.602 20 0 DFADRP CCC(CC)[C@@H](CNC(=O)Nc1cccc(C[NH2+]C)c1)[NH+](C)C ZINC000415918384 428626801 /nfs/dbraw/zinc/62/68/01/428626801.db2.gz LGWJYWISSNAAHL-QGZVFWFLSA-N 2 0 320.481 2.894 20 0 DFADRP CSC1(C[NH2+][C@@H]2C[C@@H](OC(C)C)C2(C)C)CC[NH+](C)CC1 ZINC000353624414 428627305 /nfs/dbraw/zinc/62/73/05/428627305.db2.gz QIIZWPTYXYHADP-HUUCEWRRSA-N 2 0 314.539 2.996 20 0 DFADRP CC(C)c1cnc(C[NH2+]CC2(O)CC[NH+](C(C)C)CC2)s1 ZINC000344339997 428630288 /nfs/dbraw/zinc/63/02/88/428630288.db2.gz ZHAFJGIDNDZDHT-UHFFFAOYSA-N 2 0 311.495 2.591 20 0 DFADRP CC[NH2+]Cc1ccccc1NC(=O)N[C@H](C)C[N@H+](C)C(C)C ZINC000415930733 428630402 /nfs/dbraw/zinc/63/04/02/428630402.db2.gz KSVLZLUWJLLPDF-CQSZACIVSA-N 2 0 306.454 2.646 20 0 DFADRP CCCC[N@H+](C)C[C@H](C)NC(=O)Nc1cccc(C[NH2+]C)c1 ZINC000415937409 428630706 /nfs/dbraw/zinc/63/07/06/428630706.db2.gz XEPIWOOVZOLCKO-AWEZNQCLSA-N 2 0 306.454 2.648 20 0 DFADRP CCn1ccnc1[C@H](C)NC(=O)Nc1cccc(C[NH2+]C)c1 ZINC000415935171 428630868 /nfs/dbraw/zinc/63/08/68/428630868.db2.gz STKHIRAEYZECHL-LBPRGKRZSA-N 2 0 301.394 2.505 20 0 DFADRP C[C@@H](C[NH+]1CCCCCC1)NC(=O)Nc1ccc(C[NH3+])cc1 ZINC000415944824 428632784 /nfs/dbraw/zinc/63/27/84/428632784.db2.gz AXCSWIRBSIGORH-AWEZNQCLSA-N 2 0 304.438 2.531 20 0 DFADRP CCCC[N@H+](C)CCNC(=O)Nc1ccccc1C[NH2+]CC ZINC000415940001 428633070 /nfs/dbraw/zinc/63/30/70/428633070.db2.gz CPOYQOPFLXNJMN-UHFFFAOYSA-N 2 0 306.454 2.650 20 0 DFADRP C[NH2+]Cc1cccc(NC(=O)NC[C@H]2CCC[N@@H+]2CC(C)C)c1 ZINC000415941107 428633661 /nfs/dbraw/zinc/63/36/61/428633661.db2.gz GJDTUMBDMIAICL-QGZVFWFLSA-N 2 0 318.465 2.648 20 0 DFADRP C[C@@H]1CCC[C@H]([NH+]2CCC([NH2+][C@H]3CCc4nc[nH]c4C3)CC2)C1 ZINC000353642003 428636521 /nfs/dbraw/zinc/63/65/21/428636521.db2.gz KINVGCNJVKQCJI-PVAVHDDUSA-N 2 0 316.493 2.900 20 0 DFADRP CC[N@@H+]1CC[C@H](N(C)C(=O)Nc2ccc(C[NH2+]C)cc2)[C@H](C)C1 ZINC000415980128 428639308 /nfs/dbraw/zinc/63/93/08/428639308.db2.gz FWJJWEQBCMMOAS-PBHICJAKSA-N 2 0 318.465 2.600 20 0 DFADRP CC[N@@H+]1CC[C@@H](N(C)C(=O)Nc2ccc(C[NH2+]C)cc2)[C@@H](C)C1 ZINC000415980130 428639984 /nfs/dbraw/zinc/63/99/84/428639984.db2.gz FWJJWEQBCMMOAS-WMLDXEAASA-N 2 0 318.465 2.600 20 0 DFADRP C[NH2+]Cc1ccc(NC(=O)NCCC[NH+]2CCCCCC2)cc1 ZINC000415988920 428642503 /nfs/dbraw/zinc/64/25/03/428642503.db2.gz KAFRILBSILFDID-UHFFFAOYSA-N 2 0 318.465 2.794 20 0 DFADRP C[C@@H]1C[N@H+](C)CC[C@@H]1N[C@@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000358722945 428642622 /nfs/dbraw/zinc/64/26/22/428642622.db2.gz LKWZEJBIGSLATK-LFGUQSLTSA-N 2 0 315.505 2.969 20 0 DFADRP CC(C)C[N@@H+]1CCCC[C@H]1CNC(=O)Nc1ccc(C[NH3+])cc1 ZINC000415956919 428635955 /nfs/dbraw/zinc/63/59/55/428635955.db2.gz LKSPDTHGWFBIAM-KRWDZBQOSA-N 2 0 318.465 2.777 20 0 DFADRP COc1ccc2c(c1)[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@@H]3CCC[C@H]31)CCO2 ZINC000353680450 274137846 /nfs/dbraw/zinc/13/78/46/274137846.db2.gz JTEUCXXDNVCZRE-DZOHQFGASA-N 2 0 316.445 2.981 20 0 DFADRP CC[NH+](CC)CCOC1CC[NH+](Cc2cnccc2C)CC1 ZINC000353661808 428646313 /nfs/dbraw/zinc/64/63/13/428646313.db2.gz XRIKGBMNVLJHRS-UHFFFAOYSA-N 2 0 305.466 2.713 20 0 DFADRP CC[N@H+](CCC1CC[NH+](CC(=O)N2CCCC2)CC1)CC(C)C ZINC000358734478 428649359 /nfs/dbraw/zinc/64/93/59/428649359.db2.gz DUIJXWVMIDNFLO-UHFFFAOYSA-N 2 0 323.525 2.689 20 0 DFADRP CC[NH2+]Cc1cccc(NC(=O)[C@@H](C[NH3+])c2ccc(F)cc2)c1 ZINC000358743644 428653687 /nfs/dbraw/zinc/65/36/87/428653687.db2.gz LXTNLIICYWBXCW-KRWDZBQOSA-N 2 0 315.392 2.616 20 0 DFADRP C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)c1cccc(C[NH+](C)C)c1 ZINC000355814214 274296015 /nfs/dbraw/zinc/29/60/15/274296015.db2.gz SUMQGQWAWWTVFT-IYBDPMFKSA-N 2 0 317.477 2.741 20 0 DFADRP CC[C@@H](C(=O)NCCCC[N@@H+]1CCCC[C@H]1C)[NH+](CC)CC ZINC000344540916 428675570 /nfs/dbraw/zinc/67/55/70/428675570.db2.gz KQVCYRNFSMUCAH-SJORKVTESA-N 2 0 311.514 2.878 20 0 DFADRP C[C@@H]1CCC[C@@H]([NH+]2CCC([NH2+][C@@H]3CCc4c[nH]nc4C3)CC2)C1 ZINC000358774970 428669797 /nfs/dbraw/zinc/66/97/97/428669797.db2.gz OEAHSGFGNKTALJ-ZTFGCOKTSA-N 2 0 316.493 2.900 20 0 DFADRP C[NH+](C)Cc1cccc(NC(=O)[C@H](C[NH3+])c2ccc(F)cc2)c1 ZINC000358850328 428703125 /nfs/dbraw/zinc/70/31/25/428703125.db2.gz DUFVKNQRNXHLJF-QGZVFWFLSA-N 2 0 315.392 2.568 20 0 DFADRP CCC[C@H]1[C@@H](C)CCC[N@@H+]1CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000362364791 428718520 /nfs/dbraw/zinc/71/85/20/428718520.db2.gz VHFYZVINPFZOCP-YJBOKZPZSA-N 2 0 321.509 2.630 20 0 DFADRP CCC[C@@H]1[C@@H](C)CCC[N@@H+]1CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000362364789 428719893 /nfs/dbraw/zinc/71/98/93/428719893.db2.gz VHFYZVINPFZOCP-MAUKXSAKSA-N 2 0 321.509 2.630 20 0 DFADRP CC[N@@H+]1C[C@H](C)N(C(=O)C[C@H](c2ccccc2)[NH+](C)C)C[C@H]1C ZINC000416184249 428686304 /nfs/dbraw/zinc/68/63/04/428686304.db2.gz NIJBSGRSWZGRRI-SOLBZPMBSA-N 2 0 317.477 2.621 20 0 DFADRP C[C@H]([NH2+][C@H]1CCO[C@H]1C1CC1)c1ccc(OCC[NH+](C)C)cc1 ZINC000374497743 428686546 /nfs/dbraw/zinc/68/65/46/428686546.db2.gz RUFATZVCNMPUNC-JVPBZIDWSA-N 2 0 318.461 2.845 20 0 DFADRP CC1(C)CCCN(CC[NH2+][C@@H]2CCO[C@H](C(F)(F)F)C2)C1 ZINC000348276165 428688132 /nfs/dbraw/zinc/68/81/32/428688132.db2.gz CXXUIGZIXUVMOP-OLZOCXBDSA-N 2 0 308.388 2.808 20 0 DFADRP C[NH+](C)[C@H](CC(=O)NCC1(C)CC[NH+](C)CC1)c1ccccc1 ZINC000416198261 428689017 /nfs/dbraw/zinc/68/90/17/428689017.db2.gz MGAVUFIYRQQNNB-QGZVFWFLSA-N 2 0 317.477 2.528 20 0 DFADRP C[NH+](C)Cc1ccccc1C(=O)NCC1([NH+](C)C)CCCCC1 ZINC000362291668 428692124 /nfs/dbraw/zinc/69/21/24/428692124.db2.gz WCHZPKTVPAGIKE-UHFFFAOYSA-N 2 0 317.477 2.743 20 0 DFADRP C[C@H]1C[N@H+](C)CCN1Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000411267673 428768076 /nfs/dbraw/zinc/76/80/76/428768076.db2.gz ZFJSXRQLWPPOFC-KRWDZBQOSA-N 2 0 301.478 2.808 20 0 DFADRP CC(C)SCC[NH2+][C@@H]1CC[N@H+](C[C@@H]2CCCO2)C[C@H]1C ZINC000374906861 428779168 /nfs/dbraw/zinc/77/91/68/428779168.db2.gz CODANBJQBMIZQB-OWCLPIDISA-N 2 0 300.512 2.607 20 0 DFADRP C[C@H](CC[NH+]1CCO[C@@H](C)[C@@H]1C)CC[N@@H+]1CCO[C@H](C)[C@@H]1C ZINC000411322421 428780146 /nfs/dbraw/zinc/78/01/46/428780146.db2.gz INSWEJFGVGYVOK-TXTZMMAHSA-N 2 0 312.498 2.621 20 0 DFADRP C[NH+](C)CCOc1cc(C[NH2+][C@@H]2CC[C@@H]2C(C)(C)C)ccn1 ZINC000348423507 428741429 /nfs/dbraw/zinc/74/14/29/428741429.db2.gz VGGNSEQBQOHDNH-JKSUJKDBSA-N 2 0 305.466 2.936 20 0 DFADRP COCC[NH+](CCOC)Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000411139461 428746615 /nfs/dbraw/zinc/74/66/15/428746615.db2.gz MDSFLUSDXOVIKW-UHFFFAOYSA-N 2 0 320.477 2.767 20 0 DFADRP C[C@H]1C[N@H+](CCSC(C)(C)C)CCN1C1CC[NH+](C)CC1 ZINC000374775203 428749754 /nfs/dbraw/zinc/74/97/54/428749754.db2.gz JJPYPZDAHQFUEZ-HNNXBMFYSA-N 2 0 313.555 2.618 20 0 DFADRP NC(=O)[C@@H]1CCCC[N@@H+]1Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000411161863 428750734 /nfs/dbraw/zinc/75/07/34/428750734.db2.gz ZGDIYTHJOONFIU-SFHVURJKSA-N 2 0 315.461 2.512 20 0 DFADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)CC1(C)CCCC1 ZINC000345196143 428795480 /nfs/dbraw/zinc/79/54/80/428795480.db2.gz JFQFLSVFEUJITE-QGZVFWFLSA-N 2 0 323.525 2.831 20 0 DFADRP CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H](CC)[NH+](CC)CC ZINC000345198834 428796884 /nfs/dbraw/zinc/79/68/84/428796884.db2.gz BGEHPKYAUZARKO-IAGOWNOFSA-N 2 0 311.514 2.878 20 0 DFADRP CC[N@@H+]1CC[C@H]([NH+](C)CCOCCOc2ccccc2)[C@H](C)C1 ZINC000348632263 428799439 /nfs/dbraw/zinc/79/94/39/428799439.db2.gz DFJGFABXWKSDRY-MJGOQNOKSA-N 2 0 320.477 2.744 20 0 DFADRP C[C@@H]1CC[C@H](C)[N@H+]1[C@H]1CCCN(C(=O)CC2CC[NH+](C)CC2)C1 ZINC000362669181 428800079 /nfs/dbraw/zinc/80/00/79/428800079.db2.gz UHTKWDQGAIPKMM-JZXOWHBKSA-N 2 0 321.509 2.582 20 0 DFADRP C[C@H](O)[C@H]1CC[N@H+](Cc2cccc(C[NH+]3CCCCC3)c2)C1 ZINC000411500031 428805244 /nfs/dbraw/zinc/80/52/44/428805244.db2.gz SAWHBKUKCGMVGV-LPHOPBHVSA-N 2 0 302.462 2.875 20 0 DFADRP CC[NH+](CC)[C@H](C(=O)N1CC[N@H+](C)CC[C@H]1C)c1ccccc1 ZINC000354010707 428820499 /nfs/dbraw/zinc/82/04/99/428820499.db2.gz YAPLNFIWGBTRAU-AEFFLSMTSA-N 2 0 317.477 2.622 20 0 DFADRP CC[C@@H]1CCCC[C@@H]1[N@H+](C)CC(=O)NC1CC[NH+](C(C)C)CC1 ZINC000411599728 428822357 /nfs/dbraw/zinc/82/23/57/428822357.db2.gz COJQVPOITCRGDG-AEFFLSMTSA-N 2 0 323.525 2.876 20 0 DFADRP COC(=O)c1cc(C[NH2+]C(C)(C)CC[NH+]2CCCCCC2)c[nH]1 ZINC000359114273 428822719 /nfs/dbraw/zinc/82/27/19/428822719.db2.gz DTPJBPJWBWHYDK-UHFFFAOYSA-N 2 0 321.465 2.936 20 0 DFADRP Cc1csc(N2CCC([NH2+][C@@H]3CC[N@@H+]4CCC[C@@H]4C3)CC2)n1 ZINC000359116745 428824479 /nfs/dbraw/zinc/82/44/79/428824479.db2.gz QUWUUNZJOWZZEN-HZPDHXFCSA-N 2 0 320.506 2.637 20 0 DFADRP CC[NH+](CC)[C@H](C(=O)N1[C@@H]2CC[C@H]1C[C@@H]([NH3+])C2)c1ccccc1 ZINC000375251651 428832538 /nfs/dbraw/zinc/83/25/38/428832538.db2.gz AHQPUYHSBFTSHO-MHORFTMASA-N 2 0 315.461 2.550 20 0 DFADRP CC[NH+](CCC(C)CC[N@@H+](CC)[C@@H]1CCOC1)[C@@H]1CCOC1 ZINC000411750816 428853449 /nfs/dbraw/zinc/85/34/49/428853449.db2.gz ZTSXTMYLMLGWOB-QZTJIDSGSA-N 2 0 312.498 2.624 20 0 DFADRP CC[N@@H+]1CCCC[C@H]1C(=O)NCC1([NH+](C)C)CCCCCC1 ZINC000354062336 428842981 /nfs/dbraw/zinc/84/29/81/428842981.db2.gz YSDGREUKEVKVLT-INIZCTEOSA-N 2 0 309.498 2.632 20 0 DFADRP C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)NCCCC[N@@H+]1CCCC[C@@H]1C ZINC000417047396 428844954 /nfs/dbraw/zinc/84/49/54/428844954.db2.gz QKIWQBCAOPDKAY-ULQDDVLXSA-N 2 0 324.513 2.552 20 0 DFADRP c1c[nH]c(CN2CC[C@]3(C2)CCC[N@H+](Cc2ccccc2)C3)n1 ZINC000363323864 428906963 /nfs/dbraw/zinc/90/69/63/428906963.db2.gz FOTMUKRJMBPFJU-LJQANCHMSA-N 2 0 310.445 2.898 20 0 DFADRP Cc1ccc(-c2nc(C[NH2+]CCOCC[NH+](C)C)cs2)cc1 ZINC000354192079 428907619 /nfs/dbraw/zinc/90/76/19/428907619.db2.gz VRIDGARNOXSCAD-UHFFFAOYSA-N 2 0 319.474 2.786 20 0 DFADRP CC(C)[C@@H](C(=O)N1CCC(C[NH+]2CCC(C)CC2)CC1)[NH+](C)C ZINC000363092885 428856860 /nfs/dbraw/zinc/85/68/60/428856860.db2.gz PLWZGMGIZUEYQI-SFHVURJKSA-N 2 0 323.525 2.543 20 0 DFADRP CC(C)[C@@H]([NH2+]CCN1CCC([NH+](C)C)CC1)c1ccc(F)cn1 ZINC000354089855 428859157 /nfs/dbraw/zinc/85/91/57/428859157.db2.gz GLADXRODTDEBGF-GOSISDBHSA-N 2 0 322.472 2.533 20 0 DFADRP O[C@]1(C(F)F)CC[N@H+](Cc2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC000411786644 428859195 /nfs/dbraw/zinc/85/91/95/428859195.db2.gz DBWRRORHENQWQX-GOSISDBHSA-N 2 0 324.415 2.874 20 0 DFADRP CC[NH+](CC)CCO[C@H]1CC[N@H+](Cc2ccc3c(c2)CCO3)C1 ZINC000354101901 428863316 /nfs/dbraw/zinc/86/33/16/428863316.db2.gz XCYBLABIVZTBBG-SFHVURJKSA-N 2 0 318.461 2.554 20 0 DFADRP C(C[NH+]1CCC[C@@H]1[C@@H]1CCCO1)C[N@@H+]1CCC[C@H]1[C@@H]1CCCO1 ZINC000375373619 428867690 /nfs/dbraw/zinc/86/76/90/428867690.db2.gz NZJVEPPWUPURMZ-RDGPPVDQSA-N 2 0 322.493 2.663 20 0 DFADRP COC1(C[NH+]2CCC(C[NH+]3CCC(C)CC3)CC2)CCOCC1 ZINC000375413247 428877570 /nfs/dbraw/zinc/87/75/70/428877570.db2.gz GMNRGDDBAWTJEE-UHFFFAOYSA-N 2 0 324.509 2.626 20 0 DFADRP COCCOc1ccc(C[N@@H+]2CCCC23CC[NH+](C)CC3)cc1 ZINC000375508998 428901898 /nfs/dbraw/zinc/90/18/98/428901898.db2.gz VDNGEGBQKCXKGG-UHFFFAOYSA-N 2 0 318.461 2.772 20 0 DFADRP CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CCC[NH+]1CCC ZINC000349040482 428905783 /nfs/dbraw/zinc/90/57/83/428905783.db2.gz ASCNIEVQWVRNLQ-IAGOWNOFSA-N 2 0 309.498 2.632 20 0 DFADRP CC[N@@H+]1CC[C@H](N(C)C(=O)NCC2([NH3+])CCCCCC2)C[C@H]1C ZINC000418287860 428912385 /nfs/dbraw/zinc/91/23/85/428912385.db2.gz VFXDZHVTSPRXNZ-CVEARBPZSA-N 2 0 324.513 2.552 20 0 DFADRP Cc1ccsc1C[NH+]1CCC(C[NH+]2CCN(C)CC2)CC1 ZINC000349081859 428917450 /nfs/dbraw/zinc/91/74/50/428917450.db2.gz WTQKIPCPJKPHNW-UHFFFAOYSA-N 2 0 307.507 2.516 20 0 DFADRP Cc1ccc(CCC[N@H+]2CC[C@@H](C3CC[NH+](C)CC3)C2)cn1 ZINC000349126585 428923161 /nfs/dbraw/zinc/92/31/61/428923161.db2.gz GUQOTGJTJBIKNV-LJQANCHMSA-N 2 0 301.478 2.986 20 0 DFADRP CC[N@@H+]1CC[C@H]([NH+](C)C[C@@H](O)COc2ccccc2C)C[C@@H]1C ZINC000354220897 428924082 /nfs/dbraw/zinc/92/40/82/428924082.db2.gz FWFYQRJWEAWGBF-OKZBNKHCSA-N 2 0 320.477 2.539 20 0 DFADRP CC[N@@H+]1CC[C@H]([NH+](C)CCC(=O)Nc2cccc(F)c2)C[C@@H]1C ZINC000354226434 428927702 /nfs/dbraw/zinc/92/77/02/428927702.db2.gz WDCNXBVJWAEHNP-YOEHRIQHSA-N 2 0 321.440 2.959 20 0 DFADRP CC[N@@H+]1CC[C@H]([NH+](C)CCOc2ccc(OC)cc2)C[C@@H]1C ZINC000354226513 428930477 /nfs/dbraw/zinc/93/04/77/428930477.db2.gz WMRKMAUXOMWADO-HOTGVXAUSA-N 2 0 306.450 2.879 20 0 DFADRP Cc1ccc(C)c(C[NH+]2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)c1 ZINC000363539518 428937138 /nfs/dbraw/zinc/93/71/38/428937138.db2.gz LPANUFFIDMAGMV-LJQANCHMSA-N 2 0 301.478 2.515 20 0 DFADRP C[C@H](C(=O)N[C@H]1CC[N@H+](CC2CCCC2)C1)[NH+]1CCCCCC1 ZINC000345586287 428946448 /nfs/dbraw/zinc/94/64/48/428946448.db2.gz NZQJRLXMPKFLLC-AEFFLSMTSA-N 2 0 321.509 2.632 20 0 DFADRP O[C@@H](CC[NH2+]C1CC[NH+](C2CCCCC2)CC1)C(F)(F)F ZINC000349293086 428956942 /nfs/dbraw/zinc/95/69/42/428956942.db2.gz DOKNFURHPFFVCR-AWEZNQCLSA-N 2 0 308.388 2.686 20 0 DFADRP C[N@H+](CCC(=O)NCC1CCCCC1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000375753939 428962350 /nfs/dbraw/zinc/96/23/50/428962350.db2.gz BCQJUSDPDJNSPB-JWTNVVGKSA-N 2 0 321.509 2.630 20 0 DFADRP CC(C)CCn1cccc1C[N@H+](C)CCCN1CC[NH+](C)CC1 ZINC000349334663 428964365 /nfs/dbraw/zinc/96/43/65/428964365.db2.gz SVNPWOZUPPARLY-UHFFFAOYSA-N 2 0 320.525 2.604 20 0 DFADRP C/C=C\C[C@H](CO)[NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]12 ZINC000349346686 428966612 /nfs/dbraw/zinc/96/66/12/428966612.db2.gz YKPORBWMBCVVTD-KKSNRDQTSA-N 2 0 314.473 2.814 20 0 DFADRP C[C@H]([NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1)c1ccc(F)cc1N(C)C ZINC000423537425 428967564 /nfs/dbraw/zinc/96/75/64/428967564.db2.gz CYCBEIPVMQIQME-TTZDDIAXSA-N 2 0 305.441 2.930 20 0 DFADRP C[C@H](c1ccccc1)N1CC[C@H]([NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)C1 ZINC000423545108 428968412 /nfs/dbraw/zinc/96/84/12/428968412.db2.gz OTUHQBVCWHJGPO-RUGGUXRKSA-N 2 0 313.489 2.800 20 0 DFADRP COc1ccc(C[C@H](C)[NH2+][C@@H]2CCCC[NH2+]C2)c(C)c1OC ZINC000423545872 428968674 /nfs/dbraw/zinc/96/86/74/428968674.db2.gz DXCJSRHSUAPKHG-XJKSGUPXSA-N 2 0 306.450 2.675 20 0 DFADRP COc1ccc([C@H](C)[C@H](C)[NH2+][C@H]2CCCC[NH2+]C2)cc1OC ZINC000423566248 428970215 /nfs/dbraw/zinc/97/02/15/428970215.db2.gz TWNWEPYKKBWQBY-YCPHGPKFSA-N 2 0 306.450 2.928 20 0 DFADRP [NH3+][C@@H]1CCC[C@H]1CC(=O)Nc1cccc(CC[NH+]2CCCC2)c1 ZINC000423779201 429016883 /nfs/dbraw/zinc/01/68/83/429016883.db2.gz UXGDQZLTHOHXTO-FUHWJXTLSA-N 2 0 315.461 2.781 20 0 DFADRP COC(=O)C[C@@H]1CC[C@H]([NH2+]C[C@@H]2CCCCN2C2CC2)[C@H]1C ZINC000355125867 429030525 /nfs/dbraw/zinc/03/05/25/429030525.db2.gz QZVWKAUOTKQFNM-OTRWWLKZSA-N 2 0 308.466 2.571 20 0 DFADRP COc1cc2c(cc1F)CC[C@@H]2[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000423551841 428972838 /nfs/dbraw/zinc/97/28/38/428972838.db2.gz UHWVOFNHNDXCBM-ZJOBFFGXSA-N 2 0 304.409 2.799 20 0 DFADRP C[C@@H]1C[NH+](CC2CC[NH+](CCC3CCOCC3)CC2)C[C@@H](C)O1 ZINC000432938209 428974356 /nfs/dbraw/zinc/97/43/56/428974356.db2.gz KPNLTIOORRPEBZ-IAGOWNOFSA-N 2 0 324.509 2.624 20 0 DFADRP CC[NH+](CC)CCC[N@H+](CC)C[C@H]1CCO[C@@H]1c1ccnn1C ZINC000349386332 428978766 /nfs/dbraw/zinc/97/87/66/428978766.db2.gz RSQOVUSATLVZND-AEFFLSMTSA-N 2 0 322.497 2.552 20 0 DFADRP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]C[C@@H]1CCCN(c2ccccc2)C1 ZINC000433093607 428992918 /nfs/dbraw/zinc/99/29/18/428992918.db2.gz VALZSWNUOWAJIH-AOIWGVFYSA-N 2 0 301.478 2.833 20 0 DFADRP C[N@@H+]1CC[C@H]([NH2+]Cc2cccc(Cn3cccn3)c2)[C@H]2CCC[C@@H]21 ZINC000375850736 428997154 /nfs/dbraw/zinc/99/71/54/428997154.db2.gz JZKOYTKTUVTRGH-AABGKKOBSA-N 2 0 324.472 2.894 20 0 DFADRP CC(C)C[C@H]1CCCCN1C(=O)CCC[NH+]1CCC([NH3+])CC1 ZINC000433127112 428999251 /nfs/dbraw/zinc/99/92/51/428999251.db2.gz RASVXGOBYASKHQ-QGZVFWFLSA-N 2 0 309.498 2.617 20 0 DFADRP CC(C)Oc1ccc(NC(=O)CCC[NH+]2CCC([NH3+])CC2)cc1 ZINC000433151407 429000819 /nfs/dbraw/zinc/00/08/19/429000819.db2.gz IJTLEQUIYCXRMW-UHFFFAOYSA-N 2 0 319.449 2.616 20 0 DFADRP CC(C)c1cccc(N(C)C(=O)CCC[NH+]2CCC([NH3+])CC2)c1 ZINC000433155928 429001483 /nfs/dbraw/zinc/00/14/83/429001483.db2.gz GQWGLKZGOIEJNI-UHFFFAOYSA-N 2 0 317.477 2.976 20 0 DFADRP CCCC[C@H]1CCC[C@H]1NC(=O)CCC[NH+]1CCC([NH3+])CC1 ZINC000433151124 429001734 /nfs/dbraw/zinc/00/17/34/429001734.db2.gz HQQJQFKXQGSZFI-DOTOQJQBSA-N 2 0 309.498 2.665 20 0 DFADRP CC(C)CC1(CNC(=O)CCC[NH+]2CCC([NH3+])CC2)CCC1 ZINC000433155269 429001999 /nfs/dbraw/zinc/00/19/99/429001999.db2.gz CYSYTODLDXMWHO-UHFFFAOYSA-N 2 0 309.498 2.522 20 0 DFADRP Cc1ccccc1[C@H](C)N(C)C(=O)CCC[NH+]1CCC([NH3+])CC1 ZINC000433170221 429003684 /nfs/dbraw/zinc/00/36/84/429003684.db2.gz VDMMCMNVNNKSKO-INIZCTEOSA-N 2 0 317.477 2.718 20 0 DFADRP CCCNc1ccccc1NC(=O)CCC[NH+]1CCC([NH3+])CC1 ZINC000423720653 429005721 /nfs/dbraw/zinc/00/57/21/429005721.db2.gz DKGPRJFBBQPPLP-UHFFFAOYSA-N 2 0 318.465 2.650 20 0 DFADRP C[C@@H]1CC[C@@H](C)[NH+]1[C@H]1CCCN(C(=O)c2ccc(C[NH3+])cc2)C1 ZINC000423722925 429005788 /nfs/dbraw/zinc/00/57/88/429005788.db2.gz DXACQLLVYOHTDI-RKVPGOIHSA-N 2 0 315.461 2.623 20 0 DFADRP C[C@H](C(=O)NC1CCC(C[NH+](C)C)CC1)[C@@H]([NH3+])c1ccccc1 ZINC000423745444 429006672 /nfs/dbraw/zinc/00/66/72/429006672.db2.gz MRVIIFVNJVZQFQ-HRSCSKTISA-N 2 0 317.477 2.559 20 0 DFADRP CCc1ccc(NC(=O)CCC[NH+]2CCC([NH3+])CC2)cc1F ZINC000423756482 429009758 /nfs/dbraw/zinc/00/97/58/429009758.db2.gz BJEAFQZVUPPRJI-UHFFFAOYSA-N 2 0 307.413 2.530 20 0 DFADRP C[C@H](CC(=O)N(C)CC[N@H+](C)C1CCCCC1)[C@@H]1CCC[NH2+]C1 ZINC000423766962 429011185 /nfs/dbraw/zinc/01/11/85/429011185.db2.gz VVDJYUDUGOXTRM-IAGOWNOFSA-N 2 0 323.525 2.735 20 0 DFADRP CC(C)CN(C(=O)CC1(C[NH3+])CCCCC1)C1CC[NH+](C)CC1 ZINC000423761415 429011425 /nfs/dbraw/zinc/01/14/25/429011425.db2.gz OPUXRDOKKSGUIT-UHFFFAOYSA-N 2 0 323.525 2.865 20 0 DFADRP CC[C@@]1(C(=O)Nc2cccc(CC[NH+]3CCCC3)c2)CCC[NH2+]1 ZINC000423769763 429012828 /nfs/dbraw/zinc/01/28/28/429012828.db2.gz GPNBZEGEUBMHCO-IBGZPJMESA-N 2 0 315.461 2.796 20 0 DFADRP CN(CC[N@H+](C)C1CCCCC1)C(=O)C[C@H]([NH3+])c1ccccc1 ZINC000423767721 429013615 /nfs/dbraw/zinc/01/36/15/429013615.db2.gz WQEAFKJMISSPMG-SFHVURJKSA-N 2 0 317.477 2.799 20 0 DFADRP CN(CCC[NH+]1CCCC1)C(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC000412312760 429014244 /nfs/dbraw/zinc/01/42/44/429014244.db2.gz ICFAVHCYZFYTDC-SFHVURJKSA-N 2 0 321.509 2.728 20 0 DFADRP C[C@@H]1CCCN(C(=O)CC[C@H]([NH3+])CC2CCCCC2)[C@@H]1C[NH3+] ZINC000424077075 429089604 /nfs/dbraw/zinc/08/96/04/429089604.db2.gz NIUGQRRBBHHWEF-HYVNUMGLSA-N 2 0 309.498 2.650 20 0 DFADRP COC[C@]1(C[NH2+][C@H](C)[C@H](C)c2ccc(OC)cc2)CCC[NH2+]1 ZINC000423437914 429089645 /nfs/dbraw/zinc/08/96/45/429089645.db2.gz UONTVFBOUIWQKZ-HDMKZQKVSA-N 2 0 306.450 2.545 20 0 DFADRP COc1ccc([C@H]2CCCC[C@@H]2[NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)cc1F ZINC000423456681 429090598 /nfs/dbraw/zinc/09/05/98/429090598.db2.gz NXNWVRLVXZAUKN-RIENRQNYSA-N 2 0 304.409 2.668 20 0 DFADRP C[C@@H]1[C@@H](N[C@@H]2C[NH2+]CCC2(F)F)CCC[N@@H+]1Cc1ccccc1 ZINC000423470437 429091629 /nfs/dbraw/zinc/09/16/29/429091629.db2.gz DKDUCCJGWJLQBW-HYVNUMGLSA-N 2 0 323.431 2.626 20 0 DFADRP C[C@@H]([NH2+]CCC[C@@H]1CCC[NH2+]1)c1cccc(N2CCCC2=O)c1 ZINC000423469600 429092971 /nfs/dbraw/zinc/09/29/71/429092971.db2.gz CUTKVOLBRMBGPK-NVXWUHKLSA-N 2 0 315.461 2.996 20 0 DFADRP COc1cc(NC(C)=O)ccc1[C@H](C)[NH2+]C[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000423477299 429094270 /nfs/dbraw/zinc/09/42/70/429094270.db2.gz SIGHHSMQICDMCO-NWANDNLSSA-N 2 0 319.449 2.822 20 0 DFADRP C[C@H]([NH2+]C[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1)[C@H]1CCCO1 ZINC000423476127 429095169 /nfs/dbraw/zinc/09/51/69/429095169.db2.gz QPYIJQZVOCOVAR-OXXUSNJHSA-N 2 0 306.425 2.676 20 0 DFADRP C[C@H]1CCC(C)(C)[N@@H+]1CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000452005809 429037743 /nfs/dbraw/zinc/03/77/43/429037743.db2.gz KMCCIQXJGXYZOH-RDJZCZTQSA-N 2 0 317.477 2.668 20 0 DFADRP CCC[C@@H](C)[C@H]1CCCN1C(=O)CCC[NH+]1CCC([NH3+])CC1 ZINC000423858438 429039572 /nfs/dbraw/zinc/03/95/72/429039572.db2.gz ZMVZFHLRDXPYSG-NVXWUHKLSA-N 2 0 309.498 2.617 20 0 DFADRP CC[C@H](NC[C@H]1C[NH2+]CCCO1)c1cccc(Cl)c1F ZINC000423489753 429096517 /nfs/dbraw/zinc/09/65/17/429096517.db2.gz GNZGEGQERKXWCR-RISCZKNCSA-N 2 0 300.805 2.898 20 0 DFADRP [NH3+][C@H](CCC(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12)CC1CCCCC1 ZINC000424138169 429096562 /nfs/dbraw/zinc/09/65/62/429096562.db2.gz TXNONZIEKUGGIH-KZNAEPCWSA-N 2 0 321.509 2.807 20 0 DFADRP c1ccc2nc(NCC[NH2+][C@@H]3CCC[C@@H]3[C@H]3CCC[NH2+]3)ccc2c1 ZINC000422923503 429053045 /nfs/dbraw/zinc/05/30/45/429053045.db2.gz WJMGHMKHKZPIGZ-QXAKKESOSA-N 2 0 324.472 3.157 20 0 DFADRP C[NH2+]C[C@H](C)C[NH2+][C@@H](Cc1ccccc1Cl)[C@@H]1CCCO1 ZINC000423279977 429055831 /nfs/dbraw/zinc/05/58/31/429055831.db2.gz TWCQUQGWOARXJU-JQFCIGGWSA-N 2 0 310.869 2.875 20 0 DFADRP C[N@@H+]1CC[C@H](N[C@@H]2CCCC[C@@H]2C[NH3+])C[C@H]1c1ccccc1 ZINC000423276841 429056410 /nfs/dbraw/zinc/05/64/10/429056410.db2.gz NKAKYCXZVMLDLW-HCXYKTFWSA-N 2 0 301.478 2.929 20 0 DFADRP CC(C)([NH3+])CN[C@@H]1CC[N@H+](Cc2ccccc2)[C@H]2CCC[C@@H]21 ZINC000423287396 429057538 /nfs/dbraw/zinc/05/75/38/429057538.db2.gz MAJPPCWJQPCARF-KURKYZTESA-N 2 0 301.478 2.757 20 0 DFADRP CCCC[C@H](C[NH3+])N[C@H](c1ccc(OC)cc1)[C@@H]1CCC[NH2+]1 ZINC000423303763 429059998 /nfs/dbraw/zinc/05/99/98/429059998.db2.gz XLQZADLRAKGVKO-BPQIPLTHSA-N 2 0 305.466 2.595 20 0 DFADRP Cc1cc(CC[NH2+]C2CCN(Cc3cccs3)CC2)on1 ZINC000376112159 429060311 /nfs/dbraw/zinc/06/03/11/429060311.db2.gz HSOYGTQWJRZHKP-UHFFFAOYSA-N 2 0 305.447 2.841 20 0 DFADRP C[C@H](C[NH3+])C[NH2+][C@@H]1CCCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000423306561 429061178 /nfs/dbraw/zinc/06/11/78/429061178.db2.gz LTZBMNTYPXBVMT-VBSBHUPXSA-N 2 0 315.505 2.862 20 0 DFADRP C[C@@H](C[NH+]1CCCCC1)NC(=O)C(C)(C)[C@@H]([NH3+])c1ccccc1 ZINC000423319244 429062455 /nfs/dbraw/zinc/06/24/55/429062455.db2.gz DJIUVUGEXCJOSJ-RDJZCZTQSA-N 2 0 317.477 2.703 20 0 DFADRP CC(C)C[C@@H](C[NH+](C)C)NC(=O)C(C)(C)[C@H]([NH3+])c1ccccc1 ZINC000423318080 429062934 /nfs/dbraw/zinc/06/29/34/429062934.db2.gz CQPIZCOYSWNCLT-DLBZAZTESA-N 2 0 319.493 2.805 20 0 DFADRP [NH3+][C@@H](C(=O)Nc1cccc(C[NH+]2CCCCC2)c1)C1CCC1 ZINC000423317056 429063142 /nfs/dbraw/zinc/06/31/42/429063142.db2.gz BHRMVHVLPHRIIR-QGZVFWFLSA-N 2 0 301.434 2.738 20 0 DFADRP C[C@@H]([NH3+])c1ccc(C(=O)N2CCC([NH+]3CCCCC3)CC2)cc1 ZINC000423320154 429063478 /nfs/dbraw/zinc/06/34/78/429063478.db2.gz MBINDUOYCNCFJO-OAHLLOKOSA-N 2 0 315.461 2.797 20 0 DFADRP C[C@H]1CCC[N@H+](CCCCNC(=O)[C@@H]([NH3+])CC2CCCCC2)C1 ZINC000423323520 429065778 /nfs/dbraw/zinc/06/57/78/429065778.db2.gz HZMRQHGFJTWWEU-WMZOPIPTSA-N 2 0 323.525 2.912 20 0 DFADRP COC(=O)CCC[C@@H]1CCC[C@@H]([NH2+]CC2(C)CC[NH2+]CC2)C1 ZINC000423337908 429066941 /nfs/dbraw/zinc/06/69/41/429066941.db2.gz UJUGAILYJKPWOA-JKSUJKDBSA-N 2 0 310.482 2.868 20 0 DFADRP Clc1ccccc1C[C@H]([NH2+]C[C@@H]1CC[NH2+]C1)[C@@H]1CCCO1 ZINC000423337549 429067158 /nfs/dbraw/zinc/06/71/58/429067158.db2.gz KHDCGTMPUXEIBS-COXVUDFISA-N 2 0 308.853 2.629 20 0 DFADRP CC(C)[C@@H](C(=O)NCc1ccccc1C[N@H+](C)C(C)C)[C@H](C)[NH3+] ZINC000423337673 429067873 /nfs/dbraw/zinc/06/78/73/429067873.db2.gz RGUAQQZCGIKAMO-MAUKXSAKSA-N 2 0 319.493 2.762 20 0 DFADRP CN1CC[C@@H]([NH2+]CC2(C)CC[NH2+]CC2)C[C@H]1c1ccccc1 ZINC000423335331 429068626 /nfs/dbraw/zinc/06/86/26/429068626.db2.gz RQPHWFOSTOSWHQ-MSOLQXFVSA-N 2 0 301.478 2.801 20 0 DFADRP CC[C@H](C(=O)N[C@@H](CCC[NH3+])c1ccccc1)[NH+](CC)CC ZINC000423972912 429068985 /nfs/dbraw/zinc/06/89/85/429068985.db2.gz PUAHXWGDIXWPFV-DLBZAZTESA-N 2 0 305.466 2.703 20 0 DFADRP COc1cc([C@H](C)[NH2+]CCC[C@@H]2CCC[NH2+]2)cc(OC)c1OC ZINC000423486413 429097120 /nfs/dbraw/zinc/09/71/20/429097120.db2.gz SQVJPGNJUJJZOR-DZGCQCFKSA-N 2 0 322.449 2.895 20 0 DFADRP COc1ccc(C[C@H](C)[NH2+]C[C@@]2(C)CCC[NH2+]C2)c(C)c1OC ZINC000423349254 429069249 /nfs/dbraw/zinc/06/92/49/429069249.db2.gz VFSADICIXXRBBT-LIRRHRJNSA-N 2 0 320.477 2.923 20 0 DFADRP C[C@H](NC[C@]1(C)CCC[NH2+]C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000423345615 429069980 /nfs/dbraw/zinc/06/99/80/429069980.db2.gz PGPGUZCNRPCAFH-DFQSSKMNSA-N 2 0 315.505 2.876 20 0 DFADRP C[C@H]1CCCC[N@@H+]1Cc1ccc(NC(=O)C2(C)C[NH2+]C2)cc1 ZINC000423343322 429070486 /nfs/dbraw/zinc/07/04/86/429070486.db2.gz VUAQRKRPMSBLMB-AWEZNQCLSA-N 2 0 301.434 2.609 20 0 DFADRP C[C@@H]([NH2+]CC[C@H]1CCC[NH2+]1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000423356345 429072150 /nfs/dbraw/zinc/07/21/50/429072150.db2.gz GNZOHFISGIHYES-UKRRQHHQSA-N 2 0 316.449 2.763 20 0 DFADRP CC(C)[N@@H+]1CCC[C@@H](CNC(=O)[C@H]([NH3+])CC2CCCCC2)C1 ZINC000423363731 429072454 /nfs/dbraw/zinc/07/24/54/429072454.db2.gz VCWHTZHGGVUARV-DLBZAZTESA-N 2 0 309.498 2.521 20 0 DFADRP Clc1ccccc1C[C@@H]([NH2+]CC1=CC[NH2+]CC1)[C@@H]1CCCO1 ZINC000423360700 429072691 /nfs/dbraw/zinc/07/26/91/429072691.db2.gz WJEBQJZGMPQKSG-MSOLQXFVSA-N 2 0 320.864 2.939 20 0 DFADRP C[C@@H](Cc1ccccc1)[NH+]1CCC(NCC[C@H]2CCC[NH2+]2)CC1 ZINC000423354857 429072898 /nfs/dbraw/zinc/07/28/98/429072898.db2.gz HFFZLMFGSMLXPA-PKOBYXMFSA-N 2 0 315.505 2.814 20 0 DFADRP CC[N@@H+]1CCCC[C@H]1CNC(=O)C(C)(C)[C@@H]([NH3+])c1ccccc1 ZINC000423364238 429074082 /nfs/dbraw/zinc/07/40/82/429074082.db2.gz AXLNUHTWPPSQEM-IRXDYDNUSA-N 2 0 317.477 2.703 20 0 DFADRP COc1cc(C)c(C[C@H](C)[NH2+][C@H]2CC[NH2+][C@H](C)C2)cc1OC ZINC000423367959 429074779 /nfs/dbraw/zinc/07/47/79/429074779.db2.gz AWMRPFBOTDVXQO-YCPHGPKFSA-N 2 0 306.450 2.673 20 0 DFADRP C[C@H]([NH2+][C@@H]1CCC[C@@H]([NH3+])C1)c1ccc(-n2cncn2)cc1Cl ZINC000423368098 429075336 /nfs/dbraw/zinc/07/53/36/429075336.db2.gz CWXVEGZHILCGJR-YNEHKIRRSA-N 2 0 319.840 2.841 20 0 DFADRP COCC1(C[NH2+][C@H](C)c2ccc(OC)c(F)c2)CC[NH2+]CC1 ZINC000423382030 429077236 /nfs/dbraw/zinc/07/72/36/429077236.db2.gz GBYRGUGQWQYNQN-CYBMUJFWSA-N 2 0 310.413 2.501 20 0 DFADRP COCC1(C[NH2+][C@@H]2CCSc3ccccc32)CC[NH2+]CC1 ZINC000423390858 429078723 /nfs/dbraw/zinc/07/87/23/429078723.db2.gz NAYMWBRLXFRWGK-OAHLLOKOSA-N 2 0 306.475 2.829 20 0 DFADRP COc1ccc(C[C@H](C)[NH2+][C@@H]2CC[NH2+]C[C@H]2C)c(C)c1OC ZINC000423394646 429079289 /nfs/dbraw/zinc/07/92/89/429079289.db2.gz MVUMARRJPWMWEJ-DVOMOZLQSA-N 2 0 306.450 2.531 20 0 DFADRP CC(C)[C@H]([NH2+][C@@H]1CC[NH2+][C@H](C)C1)c1ccc2[nH]c(=O)oc2c1 ZINC000423386811 429080133 /nfs/dbraw/zinc/08/01/33/429080133.db2.gz RSBKNDLQDDWSQZ-KFNAQCHYSA-N 2 0 303.406 2.961 20 0 DFADRP Fc1ccc(F)c2c1CC[C@H]2[NH2+]C[C@@H]1CCNCC1(F)F ZINC000423483883 429097458 /nfs/dbraw/zinc/09/74/58/429097458.db2.gz SAJDYHXFEJIQCV-TVQRCGJNSA-N 2 0 302.315 2.787 20 0 DFADRP Cc1ccc([C@H](Cc2ccccc2)[NH2+]C[C@H]2C[NH2+]C[C@@H]2O)cc1C ZINC000423411564 429083130 /nfs/dbraw/zinc/08/31/30/429083130.db2.gz UVNILNVTYPLQAL-HKBOAZHASA-N 2 0 324.468 2.757 20 0 DFADRP Cc1cc(N)cc(C[NH2+][C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)c1 ZINC000423481251 429097537 /nfs/dbraw/zinc/09/75/37/429097537.db2.gz PZTXFLIEUHWGMK-ICSRJNTNSA-N 2 0 323.440 2.923 20 0 DFADRP COCC1(C[NH2+][C@H]2c3cc(F)ccc3C[C@@H]2C)CC[NH2+]CC1 ZINC000423409900 429083479 /nfs/dbraw/zinc/08/34/79/429083479.db2.gz QYGYVEHXTCAACE-SUMWQHHRSA-N 2 0 306.425 2.665 20 0 DFADRP COC[C@]1(C[NH2+][C@H](C)CCc2ccc(F)cc2F)CCC[NH2+]1 ZINC000423411066 429083586 /nfs/dbraw/zinc/08/35/86/429083586.db2.gz DXJREQGBGDPDLB-CXAGYDPISA-N 2 0 312.404 2.644 20 0 DFADRP CCc1nc2c(s1)[C@@H]([NH2+]CC1(COC)CC[NH2+]CC1)CCC2 ZINC000423412330 429083966 /nfs/dbraw/zinc/08/39/66/429083966.db2.gz WPRMJUPPHHDPIR-ZDUSSCGKSA-N 2 0 323.506 2.689 20 0 DFADRP COC[C@]1(C[NH2+][C@@H](Cc2ccc(C)cc2)C(C)C)CCC[NH2+]1 ZINC000423419328 429084609 /nfs/dbraw/zinc/08/46/09/429084609.db2.gz VTWVMQFAZZARQZ-RBUKOAKNSA-N 2 0 304.478 2.920 20 0 DFADRP [NH3+][C@@H](CC1CCCCC1)C(=O)N[C@@H]1CC[N@H+](CC2CCCC2)C1 ZINC000423419292 429085547 /nfs/dbraw/zinc/08/55/47/429085547.db2.gz VOYQBPHXOFKBOD-MSOLQXFVSA-N 2 0 321.509 2.665 20 0 DFADRP C[C@H]([NH3+])[C@H](C)N[C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000423433446 429087014 /nfs/dbraw/zinc/08/70/14/429087014.db2.gz CJRIWNDCFOBOFA-WAARBJQMSA-N 2 0 301.478 2.612 20 0 DFADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]C/C=C/c2ccncc2)[C@H](C)C1 ZINC000487265819 429146097 /nfs/dbraw/zinc/14/60/97/429146097.db2.gz BLUHOANRXORCKW-LRSLKPCPSA-N 2 0 317.477 2.821 20 0 DFADRP COc1cc2[nH+]ccc(N[C@H]3CC[N@H+](C)[C@H](C)C3)c2cc1OC ZINC000413155892 429151347 /nfs/dbraw/zinc/15/13/47/429151347.db2.gz DEBISQVIXFQRIF-OLZOCXBDSA-N 2 0 315.417 2.569 20 0 DFADRP CSc1ccccc1NC(=O)CC[N@H+](C)[C@H]1CCC[NH2+]CC1 ZINC000435623717 429151763 /nfs/dbraw/zinc/15/17/63/429151763.db2.gz VQTTYWHNPOQZGY-AWEZNQCLSA-N 2 0 321.490 2.811 20 0 DFADRP CCN(CC(=O)Nc1c(C)cccc1C)[C@H]1CCC[NH2+]CC1 ZINC000435613080 429153046 /nfs/dbraw/zinc/15/30/46/429153046.db2.gz ITRNVCQXBRXHIN-INIZCTEOSA-N 2 0 303.450 2.706 20 0 DFADRP C[C@H]([NH2+][C@@H]1CC[C@@H](C[NH3+])C1)c1ncc(Br)s1 ZINC000423492245 429098218 /nfs/dbraw/zinc/09/82/18/429098218.db2.gz MIHLKXXPKGXSJW-DJLDLDEBSA-N 2 0 304.257 2.684 20 0 DFADRP C[C@H]([NH2+][C@H]1CC[C@H](C[NH3+])C1)c1ncc(Br)s1 ZINC000423492244 429098776 /nfs/dbraw/zinc/09/87/76/429098776.db2.gz MIHLKXXPKGXSJW-CIUDSAMLSA-N 2 0 304.257 2.684 20 0 DFADRP C[C@@H]([NH2+][C@@H](CN)C1CCCC1)c1cccc(OCC[NH+](C)C)c1 ZINC000423498005 429099781 /nfs/dbraw/zinc/09/97/81/429099781.db2.gz AVXBAGJOBPCBOA-BEFAXECRSA-N 2 0 319.493 2.795 20 0 DFADRP CC[N@H+](C)C[C@H]1CCN(C(=O)CC[C@@H]([NH3+])CC2CCCCC2)C1 ZINC000424147820 429100526 /nfs/dbraw/zinc/10/05/26/429100526.db2.gz SITLIJFUVJLROY-QZTJIDSGSA-N 2 0 323.525 2.865 20 0 DFADRP C[C@@H]([NH2+]C1CCC([NH+]2CCNCC2)CC1)c1ccc(F)c(F)c1 ZINC000423502535 429101264 /nfs/dbraw/zinc/10/12/64/429101264.db2.gz FECGSIMNMVPARN-IUDNXUCKSA-N 2 0 323.431 2.832 20 0 DFADRP COc1cc([C@H](C)[N@@H+]2C[C@@H](C)[C@](C)(C[NH3+])C2)cc(OC)c1OC ZINC000423505340 429101892 /nfs/dbraw/zinc/10/18/92/429101892.db2.gz HCPCQRXVBQLSGX-FHSNZYRGSA-N 2 0 322.449 2.690 20 0 DFADRP CCC[C@H]1C[NH2+]CCN1C(=O)CC[C@H]([NH3+])CC1CCCCC1 ZINC000424158613 429103240 /nfs/dbraw/zinc/10/32/40/429103240.db2.gz UBHOFAQCAXWNIY-IRXDYDNUSA-N 2 0 309.498 2.665 20 0 DFADRP CCC[N@H+](CC)Cc1ccc(C(=O)NC2(C)CC[NH2+]CC2)cc1 ZINC000434686966 429104504 /nfs/dbraw/zinc/10/45/04/429104504.db2.gz YFMNKZKFLPZFKE-UHFFFAOYSA-N 2 0 317.477 2.790 20 0 DFADRP CCC[N@H+](CC)Cc1ccc(C(=O)N2CC[NH2+][C@@H](C)[C@@H]2C)cc1 ZINC000434671487 429105222 /nfs/dbraw/zinc/10/52/22/429105222.db2.gz UWMMNSWYRRYAKT-HOTGVXAUSA-N 2 0 317.477 2.741 20 0 DFADRP Cc1cc([C@H](C)[NH2+]C2CCC(N3CC[NH2+]CC3)CC2)c(C)o1 ZINC000423519575 429106433 /nfs/dbraw/zinc/10/64/33/429106433.db2.gz QBIQCEAYWVQFOS-OOHWJJMZSA-N 2 0 305.466 2.763 20 0 DFADRP Cc1cccc2c1CC[C@@H]2[NH2+]C1CCC([NH+]2CCNCC2)CC1 ZINC000423519348 429107053 /nfs/dbraw/zinc/10/70/53/429107053.db2.gz PQSGXMIRXGQTHL-UHYCVJNDSA-N 2 0 313.489 2.788 20 0 DFADRP C[C@@H]1CN([C@H]2CC[N@H+](C)[C@@H](c3ccccc3)C2)C[C@@]1(C)C[NH3+] ZINC000423515335 429107217 /nfs/dbraw/zinc/10/72/17/429107217.db2.gz VEZRBWUDNWMPGL-QXCFHYIPSA-N 3 0 301.478 2.739 20 0 DFADRP COCC[C@@H]1CCC[C@H]1[NH2+]CC1([NH3+])C2CC3CC(C2)CC1C3 ZINC000423525311 429107732 /nfs/dbraw/zinc/10/77/32/429107732.db2.gz KIWNRZSDYWPGMZ-PRLDQDABSA-N 2 0 306.494 2.935 20 0 DFADRP CCc1ccc([C@@H](C)[NH2+]C2CCC(N3CC[NH2+]CC3)CC2)o1 ZINC000423526921 429107959 /nfs/dbraw/zinc/10/79/59/429107959.db2.gz ZZMXDQQOKZZPGL-QQFBHYJXSA-N 2 0 305.466 2.709 20 0 DFADRP C[C@H]([NH2+]C1CCC([NH+]2CCNCC2)CC1)c1cc(F)cc(F)c1 ZINC000423521127 429108527 /nfs/dbraw/zinc/10/85/27/429108527.db2.gz SFBJKEOIBZWKLP-TZYSRNFLSA-N 2 0 323.431 2.832 20 0 DFADRP Cc1ccccc1[C@@H](C)[NH2+]C1CCC([NH+]2CCNCC2)CC1 ZINC000423526644 429109293 /nfs/dbraw/zinc/10/92/93/429109293.db2.gz ZVOVEKBNQBUCPU-WWDZGPRUSA-N 2 0 301.478 2.862 20 0 DFADRP COCC[C@H]1CCC[C@@H]1[NH2+]CC1([NH3+])C2CC3CC(C2)CC1C3 ZINC000423525312 429109566 /nfs/dbraw/zinc/10/95/66/429109566.db2.gz KIWNRZSDYWPGMZ-RIFVKUKGSA-N 2 0 306.494 2.935 20 0 DFADRP CCO[C@H]1C[C@H]([NH2+]CC2([NH3+])C3CC4CC(C3)CC2C4)C1(C)C ZINC000423531590 429110722 /nfs/dbraw/zinc/11/07/22/429110722.db2.gz SXAXCJLZKKJJQS-KVGIZGHVSA-N 2 0 306.494 2.933 20 0 DFADRP Cc1cc(C[NH3+])cc(NC(=O)[C@H](C)N2CCc3ccccc3C2)c1 ZINC000424239142 429113282 /nfs/dbraw/zinc/11/32/82/429113282.db2.gz LSHGGFCXMSHIDV-HNNXBMFYSA-N 2 0 323.440 2.839 20 0 DFADRP c1csc(N2CCC([NH2+]C[C@H]3CCCCN3C3CC3)CC2)n1 ZINC000376470654 429117409 /nfs/dbraw/zinc/11/74/09/429117409.db2.gz FSUZBVBTPDXACA-MRXNPFEDSA-N 2 0 320.506 2.718 20 0 DFADRP CCN(C(=O)C[N@@H+]1CC2(C[C@H]1C)CC[NH2+]CC2)c1ccccc1 ZINC000424283799 429119996 /nfs/dbraw/zinc/11/99/96/429119996.db2.gz CEJCPYPZXXHIQC-MRXNPFEDSA-N 2 0 315.461 2.504 20 0 DFADRP Cc1ccc(NC(=O)C[N@H+]2CC3(C[C@@H]2C)CC[NH2+]CC3)cc1F ZINC000424286704 429120086 /nfs/dbraw/zinc/12/00/86/429120086.db2.gz HXUMTEPAGSHUHX-AWEZNQCLSA-N 2 0 319.424 2.537 20 0 DFADRP [NH3+]C[C@H](CN1CCC(C[NH+]2CCCC2)CC1)c1ccc(F)cc1 ZINC000424301982 429122172 /nfs/dbraw/zinc/12/21/72/429122172.db2.gz LOVATIPUTDYWMB-GOSISDBHSA-N 2 0 319.468 2.676 20 0 DFADRP [NH3+]C[C@@H](C[N@@H+]1CCCC[C@@H]1c1cn[nH]c1)c1ccc(F)cc1 ZINC000424305453 429122211 /nfs/dbraw/zinc/12/22/11/429122211.db2.gz SIHGJTOHKPTYBP-WMLDXEAASA-N 2 0 302.397 2.818 20 0 DFADRP CO[C@H]1C[C@H]2C[C@@H]([NH2+]CCCC[NH+]3C[C@H](C)O[C@@H](C)C3)C[C@H]2C1 ZINC000424306491 429122785 /nfs/dbraw/zinc/12/27/85/429122785.db2.gz VMYRFYYPFAMZOF-NQSUBMFWSA-N 2 0 324.509 2.669 20 0 DFADRP CC(C)C[C@H]([NH3+])CN1C[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C1 ZINC000424373263 429131097 /nfs/dbraw/zinc/13/10/97/429131097.db2.gz XLIMWKQKEHSFHD-GBESFXJTSA-N 2 0 301.478 2.566 20 0 DFADRP C[C@@H]1CC2(C[N@@H+]1Cc1cnc([C@H]3CCCO3)s1)CC[NH2+]CC2 ZINC000424370447 429131837 /nfs/dbraw/zinc/13/18/37/429131837.db2.gz CHURAPSMLUVGIT-UKRRQHHQSA-N 2 0 321.490 2.959 20 0 DFADRP CC(C)N(C)c1ccc(C[N@@H+]2CC3(C[C@@H]2C)CC[NH2+]CC3)cn1 ZINC000424368509 429132035 /nfs/dbraw/zinc/13/20/35/429132035.db2.gz ADEVJSJCGCTHLV-INIZCTEOSA-N 2 0 316.493 2.890 20 0 DFADRP COCCOc1cccc(C[N@@H+]2CC3(C[C@H]2C)CC[NH2+]CC3)c1 ZINC000424377665 429132330 /nfs/dbraw/zinc/13/23/30/429132330.db2.gz MMYIAAQIYGFGBD-MRXNPFEDSA-N 2 0 318.461 2.676 20 0 DFADRP C[C@@H]1C[C@H](C[NH3+])C[N@@H+]1Cc1ccc(OCc2ccccn2)cc1 ZINC000435374242 429133538 /nfs/dbraw/zinc/13/35/38/429133538.db2.gz XBYPAMMJTSUMQY-NVXWUHKLSA-N 2 0 311.429 2.830 20 0 DFADRP COc1cc(C)c(C[N@@H+]2CC3(C[C@@H]2C)CC[NH2+]CC3)c(C)n1 ZINC000424386061 429134278 /nfs/dbraw/zinc/13/42/78/429134278.db2.gz WUICAPWSSVFZLZ-AWEZNQCLSA-N 2 0 303.450 2.671 20 0 DFADRP C[NH+]1CCC(CC(=O)NC(C)(C)CC[NH+]2CCCCCC2)CC1 ZINC000487102739 429135126 /nfs/dbraw/zinc/13/51/26/429135126.db2.gz TZNWDOQOPGGOSW-UHFFFAOYSA-N 2 0 323.525 2.879 20 0 DFADRP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)CC[C@H]2CCC[NH2+]2)C1 ZINC000494637781 429135227 /nfs/dbraw/zinc/13/52/27/429135227.db2.gz NCSRGQGNKGXHSJ-FGTMMUONSA-N 2 0 321.509 2.632 20 0 DFADRP C[C@H]1C[C@@H](C[NH3+])C[N@@H+]1Cc1ccc(OCc2ccccn2)cc1 ZINC000435374386 429137450 /nfs/dbraw/zinc/13/74/50/429137450.db2.gz XBYPAMMJTSUMQY-RDJZCZTQSA-N 2 0 311.429 2.830 20 0 DFADRP Cc1nc(COc2ccc(C[N@@H+]3CC[C@H](C[NH3+])C3)cc2)cs1 ZINC000435396571 429138672 /nfs/dbraw/zinc/13/86/72/429138672.db2.gz XABNZOAGOMYXNJ-OAHLLOKOSA-N 2 0 317.458 2.811 20 0 DFADRP Cc1cc(C[NH3+])cc(NC(=O)NCC[C@H](C)[NH+]2CCCCC2)c1 ZINC000424423846 429140803 /nfs/dbraw/zinc/14/08/03/429140803.db2.gz GURRWLIZCSDXDF-HNNXBMFYSA-N 2 0 318.465 2.840 20 0 DFADRP CCC[C@@H](C)C[N@H+](Cc1nccn1C)[C@@H]1CC12CC[NH2+]CC2 ZINC000435431429 429142362 /nfs/dbraw/zinc/14/23/62/429142362.db2.gz IMBHZUHOFABPCM-HZPDHXFCSA-N 2 0 304.482 2.800 20 0 DFADRP COc1ccc(C[N@@H+]2CC[C@@H](CNc3cc(C)cc[nH+]3)C2)cn1 ZINC000364054897 429163844 /nfs/dbraw/zinc/16/38/44/429163844.db2.gz KQTFOXAHZYQDIA-INIZCTEOSA-N 2 0 312.417 2.728 20 0 DFADRP CC1CC[NH+](CC2CC[NH+](CC[C@@H]3CCC[N@@H+]3C)CC2)CC1 ZINC000364061113 429163932 /nfs/dbraw/zinc/16/39/32/429163932.db2.gz YIOOUBHJZYVQEX-IBGZPJMESA-N 3 0 307.526 2.915 20 0 DFADRP c1ccc(COC2CC([NH2+][C@@H]3CC[N@@H+]4CCC[C@@H]4C3)C2)cc1 ZINC000364072070 429166403 /nfs/dbraw/zinc/16/64/03/429166403.db2.gz HLIMMXILCCEICH-TXQGORRRSA-N 2 0 300.446 2.951 20 0 DFADRP O[C@@H](C[NH+]1CCC(C[NH+]2CCCC2)CC1)c1ccccc1F ZINC000193076957 275050728 /nfs/dbraw/zinc/05/07/28/275050728.db2.gz UKBXFCFTXVINJC-SFHVURJKSA-N 2 0 306.425 2.667 20 0 DFADRP c1cc(C[N@@H+](C[C@@H]2CCOC2)[C@@H]2CC23CC[NH2+]CC3)cs1 ZINC000435694974 429159469 /nfs/dbraw/zinc/15/94/69/429159469.db2.gz MUOJKHIPZUAOEU-GOEBONIOSA-N 2 0 306.475 2.729 20 0 DFADRP c1ccc2c(c1)CC[C@H]2[NH2+]C1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000132841770 275069999 /nfs/dbraw/zinc/06/99/99/275069999.db2.gz QEALUAQMCFVPBM-DNVCBOLYSA-N 2 0 300.446 2.764 20 0 DFADRP c1ccc2c(c1)C[C@H]([NH2+]C1CCN(c3cc[nH+]cc3)CC1)CO2 ZINC000294178566 275070423 /nfs/dbraw/zinc/07/04/23/275070423.db2.gz JXCNTBAEEPWIEQ-KRWDZBQOSA-N 2 0 309.413 2.644 20 0 DFADRP COCC[N@H+](C)CCOc1cccc(C[NH2+][C@@H]2C[C@H](C)[C@H]2C)c1 ZINC000495060136 429176430 /nfs/dbraw/zinc/17/64/30/429176430.db2.gz QCMKNQNZNVCZOR-FRQCXROJSA-N 2 0 320.477 2.778 20 0 DFADRP C[C@@H](CC[NH2+][C@@H]1CCC(=O)NC1(C)C)[N@H+](C)Cc1ccccc1 ZINC000495077921 429177271 /nfs/dbraw/zinc/17/72/71/429177271.db2.gz GVAZFJYKPRBZKR-DOTOQJQBSA-N 2 0 317.477 2.544 20 0 DFADRP C[NH+](C)C1CCN(CC[NH2+][C@H]2CS[C@H](C(C)(C)C)C2)CC1 ZINC000488586248 429185669 /nfs/dbraw/zinc/18/56/69/429185669.db2.gz VJMBEQDBONGGLO-ZBFHGGJFSA-N 2 0 313.555 2.522 20 0 DFADRP CCOC(=O)N[C@@H]1CCC[N@H+](CCCc2ccc(C)nc2)C1 ZINC000495569334 429225006 /nfs/dbraw/zinc/22/50/06/429225006.db2.gz ONHAVWNTARGMCS-MRXNPFEDSA-N 2 0 305.422 2.533 20 0 DFADRP CCOCc1cc(C[N@@H+]2CCC[C@@H](CC[NH3+])C2)ccc1OC ZINC000442925136 429240705 /nfs/dbraw/zinc/24/07/05/429240705.db2.gz UMXMWZLIOAGCSA-HNNXBMFYSA-N 2 0 306.450 2.793 20 0 DFADRP CC(C)(C)OC(=O)CCCC[N@@H+]1C[C@@H]2C[NH+]3CCCC[C@H]3[C@H]2C1 ZINC000364653344 429242064 /nfs/dbraw/zinc/24/20/64/429242064.db2.gz DWQSAPNQJUUPNB-IKGGRYGDSA-N 2 0 322.493 2.915 20 0 DFADRP C[NH+](C)CCCC(C)(C)NC(=O)c1cccc(C[NH+](C)C)c1 ZINC000456160912 429252060 /nfs/dbraw/zinc/25/20/60/429252060.db2.gz CNOJATHJUSACJC-UHFFFAOYSA-N 2 0 305.466 2.598 20 0 DFADRP Cc1ccnc(NC[C@@H]2CC[N@H+](C[C@@H](O)c3ccccc3)C2)c1 ZINC000364728487 429258224 /nfs/dbraw/zinc/25/82/24/429258224.db2.gz SVKTVSYHXKAYGP-FUHWJXTLSA-N 2 0 311.429 2.857 20 0 DFADRP CC1=CCC[C@H](C)[C@@H]1C[N@@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000364864504 429266768 /nfs/dbraw/zinc/26/67/68/429266768.db2.gz CVOHVJHZDFPRFQ-MTQWCTHYSA-N 2 0 319.537 2.937 20 0 DFADRP C[NH+](C)[C@@H]1CCc2cc(NC(=O)C34CCC[NH+]3CCC4)ccc21 ZINC000456344102 429281832 /nfs/dbraw/zinc/28/18/32/429281832.db2.gz ZURNSRKBDATZHB-QGZVFWFLSA-N 2 0 313.445 2.802 20 0 DFADRP CC[C@@H]([NH2+]Cc1ccc(N2CC[NH+](CC)CC2)nc1)C1CCC1 ZINC000449083494 429327736 /nfs/dbraw/zinc/32/77/36/429327736.db2.gz UIJFSRMJCAYTKO-GOSISDBHSA-N 2 0 316.493 2.892 20 0 DFADRP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+]C[C@H]2CCOC2)CC1 ZINC000449079989 429327930 /nfs/dbraw/zinc/32/79/30/429327930.db2.gz RSDPBJWXNZKXGQ-SJLPKXTDSA-N 2 0 302.462 2.708 20 0 DFADRP CC[N@H+](C)CCNC1CC[NH+]([C@@H](C)Cc2ccccc2)CC1 ZINC000449105432 429332131 /nfs/dbraw/zinc/33/21/31/429332131.db2.gz DLOBOUPGKAVDIQ-KRWDZBQOSA-N 2 0 303.494 2.623 20 0 DFADRP CCn1nccc1C1CC[NH+](CC[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000365519012 429333402 /nfs/dbraw/zinc/33/34/02/429333402.db2.gz XKGKXDGZCOXVIE-KRWDZBQOSA-N 2 0 304.482 2.957 20 0 DFADRP CCC[NH2+][C@@H](C)C(=O)NC1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC000449122775 429339311 /nfs/dbraw/zinc/33/93/11/429339311.db2.gz AKFLJDYJKYNOQD-JKSUJKDBSA-N 2 0 317.477 2.716 20 0 DFADRP CN(C)CC[NH+]1CCC(C[NH2+]Cc2cccc3ccoc32)CC1 ZINC000449131255 429339585 /nfs/dbraw/zinc/33/95/85/429339585.db2.gz LEAFVVURFUKEFQ-UHFFFAOYSA-N 2 0 315.461 2.796 20 0 DFADRP C[C@H]([NH3+])c1ccc(NC(=O)[C@@]2(c3ccccc3)CC[NH2+]C2)cc1 ZINC000449130101 429340119 /nfs/dbraw/zinc/34/01/19/429340119.db2.gz XKKKRUDCFBEGRR-LIRRHRJNSA-N 2 0 309.413 2.576 20 0 DFADRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H]2CCO[C@H](CC)C2)[C@H](C)C1 ZINC000449139865 429341234 /nfs/dbraw/zinc/34/12/34/429341234.db2.gz LZPJNYZQJFZEBO-TVFCKZIOSA-N 2 0 312.498 2.671 20 0 DFADRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H]2CCO[C@@H](CC)C2)[C@@H](C)C1 ZINC000449139863 429341825 /nfs/dbraw/zinc/34/18/25/429341825.db2.gz LZPJNYZQJFZEBO-MHORFTMASA-N 2 0 312.498 2.671 20 0 DFADRP CC[NH+](CC)[C@H](CNC(=O)[C@@H]([NH3+])c1ccccc1C)CC(C)C ZINC000449150100 429343912 /nfs/dbraw/zinc/34/39/12/429343912.db2.gz QCEMUKWLHPSUDN-WMZOPIPTSA-N 2 0 319.493 2.868 20 0 DFADRP C[C@@H]1C[N@@H+](CC2CC[NH+](C[C@H]3CCSC3)CC2)C[C@H](C)O1 ZINC000365869929 429393020 /nfs/dbraw/zinc/39/30/20/429393020.db2.gz DDJIADLQMYUFAX-HLLBOEOZSA-N 2 0 312.523 2.561 20 0 DFADRP COc1cc(C)ccc1C[NH2+]CC1(SC)CC[NH+](C)CC1 ZINC000449339744 429393156 /nfs/dbraw/zinc/39/31/56/429393156.db2.gz VAWDHDCOEGICGJ-UHFFFAOYSA-N 2 0 308.491 2.921 20 0 DFADRP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+]CCCC1CCOCC1 ZINC000449354292 429394439 /nfs/dbraw/zinc/39/44/39/429394439.db2.gz LZFRDETYBZBWHO-UHFFFAOYSA-N 2 0 314.433 2.872 20 0 DFADRP COc1ccc(CC[NH2+][C@H]2CCC[C@@H]([NH3+])C2)c(Cl)c1OC ZINC000517758086 429397732 /nfs/dbraw/zinc/39/77/32/429397732.db2.gz YNMLJKBXYZFYNG-OLZOCXBDSA-N 2 0 312.841 2.759 20 0 DFADRP CN(Cc1nccn1C(F)F)C1CCN(c2ccccn2)CC1 ZINC000365890094 429398475 /nfs/dbraw/zinc/39/84/75/429398475.db2.gz HINPKQVKJQYYMW-UHFFFAOYSA-N 2 0 321.375 2.774 20 0 DFADRP Cc1csc([C@@H](C)C[NH2+]Cc2cc(C3CC[NH2+]CC3)no2)n1 ZINC000425896015 429350098 /nfs/dbraw/zinc/35/00/98/429350098.db2.gz MOCWJVOWVVNESW-NSHDSACASA-N 2 0 320.462 2.800 20 0 DFADRP Fc1cccc(CC[NH2+]Cc2cc(C3CC[NH2+]CC3)no2)c1 ZINC000425899644 429350656 /nfs/dbraw/zinc/35/06/56/429350656.db2.gz LMWUVQUAXARMJW-UHFFFAOYSA-N 2 0 303.381 2.613 20 0 DFADRP Fc1ccccc1CC[NH2+]Cc1cc(C2CC[NH2+]CC2)no1 ZINC000425902452 429351638 /nfs/dbraw/zinc/35/16/38/429351638.db2.gz SPWXOIZYDDNAOV-UHFFFAOYSA-N 2 0 303.381 2.613 20 0 DFADRP Cc1cc(C)c(CNC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)cn1 ZINC000456844672 429355170 /nfs/dbraw/zinc/35/51/70/429355170.db2.gz RNSPCSCRYXPQBP-QGZVFWFLSA-N 2 0 301.434 2.722 20 0 DFADRP COC[C@H](O)CC[NH2+]C1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC000449208868 429358013 /nfs/dbraw/zinc/35/80/13/429358013.db2.gz PUWZBEZJGFEVDH-MRXNPFEDSA-N 2 0 314.514 2.653 20 0 DFADRP CCC[C@]1([NH2+]C/C=C\C[NH2+][C@@]2(CCC)CCOC2)CCOC1 ZINC000512284723 429358888 /nfs/dbraw/zinc/35/88/88/429358888.db2.gz CNHXNTPNVUBGNP-SLXDBMQSSA-N 2 0 310.482 2.640 20 0 DFADRP CC[NH+]1CCN(CCC[NH2+]Cc2cccc3ccoc32)CC1 ZINC000449222914 429362239 /nfs/dbraw/zinc/36/22/39/429362239.db2.gz WWPPWPQOMFIZCH-UHFFFAOYSA-N 2 0 301.434 2.550 20 0 DFADRP CCN(CC[NH2+][C@@H]1C[C@@H](C)[N@H+](C)C[C@H]1C)CCC(F)(F)F ZINC000426052900 429362695 /nfs/dbraw/zinc/36/26/95/429362695.db2.gz ULUVABFTQQFMBC-MGPQQGTHSA-N 2 0 309.420 2.579 20 0 DFADRP C[C@@H](Cc1ccoc1)[NH2+]Cc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC000449235070 429363094 /nfs/dbraw/zinc/36/30/94/429363094.db2.gz SOMCFDMGEVCUMN-KXBFYZLASA-N 2 0 314.429 2.567 20 0 DFADRP CCN(CC[NH2+]C1CC[NH+](C(C)C)CC1)CCC(F)(F)F ZINC000426072605 429363809 /nfs/dbraw/zinc/36/38/09/429363809.db2.gz XOZVONDINNRYFG-UHFFFAOYSA-N 2 0 309.420 2.723 20 0 DFADRP Cc1ccc(C[NH2+]C[C@H](C)C[NH+](C)C)c(-c2ccnn2C)c1 ZINC000491542357 429372499 /nfs/dbraw/zinc/37/24/99/429372499.db2.gz CSEQVLJEXFVRPA-HNNXBMFYSA-N 2 0 300.450 2.683 20 0 DFADRP C[C@@H]1CCC[N@H+](CCCCNC(=O)C[C@H]2CCCC[C@H]2[NH3+])C1 ZINC000449326207 429387217 /nfs/dbraw/zinc/38/72/17/429387217.db2.gz TVMFUEPNFZBWTP-BRWVUGGUSA-N 2 0 309.498 2.522 20 0 DFADRP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+]1CCS[C@@H](C)CC1 ZINC000426388980 429388936 /nfs/dbraw/zinc/38/89/36/429388936.db2.gz CACWQTHKEBRKHP-ZDUSSCGKSA-N 2 0 302.447 2.903 20 0 DFADRP CCCC[N@H+](C)CC1CCN(C(=O)[C@H]2CCC[NH+]2C2CC2)CC1 ZINC000426414542 429389565 /nfs/dbraw/zinc/38/95/65/429389565.db2.gz BSAYLPXVVVRKSH-GOSISDBHSA-N 2 0 321.509 2.584 20 0 DFADRP C[C@@H]1CC[C@H](C)[C@@H]([NH2+]Cc2ccncc2OCC[NH+](C)C)C1 ZINC000449330063 429390676 /nfs/dbraw/zinc/39/06/76/429390676.db2.gz RLDYZLWWDRKEHN-VYDXJSESSA-N 2 0 305.466 2.936 20 0 DFADRP CC[NH+]1CCN(c2ccc(C[NH2+][C@H]3CC=C(C)CC3)cn2)CC1 ZINC000519007074 429443819 /nfs/dbraw/zinc/44/38/19/429443819.db2.gz DOIQXCBATQMERR-SFHVURJKSA-N 2 0 314.477 2.812 20 0 DFADRP Cc1noc(C2CCC([NH2+]C[C@H](C)C[NH+]3CCCC3)CC2)n1 ZINC000366478730 429460531 /nfs/dbraw/zinc/46/05/31/429460531.db2.gz VHJSDYASLNUGEL-JEYLPNPQSA-N 2 0 306.454 2.726 20 0 DFADRP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1[NH2+]C1CCC(NC(C)=O)CC1 ZINC000427720474 429467328 /nfs/dbraw/zinc/46/73/28/429467328.db2.gz NFRNKXVRKIBUMO-RGVPCPSESA-N 2 0 323.525 2.924 20 0 DFADRP CCCC[N@H+](C)C[C@@H](C)NC(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC000426771340 429414864 /nfs/dbraw/zinc/41/48/64/429414864.db2.gz BAFYVEXLRMXTPL-SJORKVTESA-N 2 0 311.514 2.734 20 0 DFADRP CC(C)[N@@H+](C)C[C@H](C)NC(=O)[C@@H]1CCCC[NH+]1C1CCCC1 ZINC000426790885 429417067 /nfs/dbraw/zinc/41/70/67/429417067.db2.gz BXEQHDUWTHHHGB-RDJZCZTQSA-N 2 0 309.498 2.628 20 0 DFADRP CC[N@@H+]1CC[C@H](N(C)C(=O)C2(C[NH+](C)C)CCCCC2)C[C@H]1C ZINC000426789144 429418057 /nfs/dbraw/zinc/41/80/57/429418057.db2.gz SAEKNZULDDACOG-SJORKVTESA-N 2 0 323.525 2.830 20 0 DFADRP C[N@H+](C[C@H](O)CNc1ccc(Oc2ccncc2)cc1)C1CC1 ZINC000518365133 429419883 /nfs/dbraw/zinc/41/98/83/429419883.db2.gz BYZPQBYHGXPYSK-MRXNPFEDSA-N 2 0 313.401 2.741 20 0 DFADRP C[NH+](C)CC(C)(C)NC(=O)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000457236823 429432023 /nfs/dbraw/zinc/43/20/23/429432023.db2.gz KZEQVBOWROTVHX-UHFFFAOYSA-N 2 0 317.477 2.743 20 0 DFADRP COc1ccc(C(C)(C)C[NH2+][C@@H](C)[C@@H]2CCC[NH2+]C2)cc1OC ZINC000520761892 429527252 /nfs/dbraw/zinc/52/72/52/429527252.db2.gz ONOLFFXNRWEULB-LSDHHAIUSA-N 2 0 320.477 2.959 20 0 DFADRP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+]1CCC[C@]2(CCOC2)C1 ZINC000449684123 429477888 /nfs/dbraw/zinc/47/78/88/429477888.db2.gz QVLWOQQHVGPGPC-SFHVURJKSA-N 2 0 312.417 2.578 20 0 DFADRP [NH3+][C@@H](CCC(=O)Nc1cccc2c1CC[NH2+]C2)c1ccccc1 ZINC000519691596 429478630 /nfs/dbraw/zinc/47/86/30/429478630.db2.gz ZOSJYZOEBKCCKV-KRWDZBQOSA-N 2 0 309.413 2.751 20 0 DFADRP CC(C)C[N@@H+]1CCC[C@H](CNC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC000427928571 429479023 /nfs/dbraw/zinc/47/90/23/429479023.db2.gz DGVZCCNCFOVEJU-QGZVFWFLSA-N 2 0 323.525 2.591 20 0 DFADRP Cc1ccc(NC(=O)[C@H](C)N2CC[C@@]3(CC[N@H+](C)C3)C2)c(C)c1 ZINC000366571609 429479333 /nfs/dbraw/zinc/47/93/33/429479333.db2.gz XZRVFSNTSBRVEP-QFBILLFUSA-N 2 0 315.461 2.658 20 0 DFADRP C[N@@H+]1CCCC(C)(C)[C@H]1CNC(=O)Nc1ccc2c(c1)C[NH2+]C2 ZINC000519747617 429485181 /nfs/dbraw/zinc/48/51/81/429485181.db2.gz HEJNHFITCBJWSL-MRXNPFEDSA-N 2 0 316.449 2.532 20 0 DFADRP C[C@@H]([NH2+][C@@H]1CCC[C@@H]1CO)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000449712468 429486917 /nfs/dbraw/zinc/48/69/17/429486917.db2.gz RXEBLJQTJBOLRJ-QXCFHYIPSA-N 2 0 302.462 2.648 20 0 DFADRP CC[NH+]1CCN(CC(C)(C)[NH2+]Cc2cc(C)sc2C)CC1 ZINC000449746333 429496031 /nfs/dbraw/zinc/49/60/31/429496031.db2.gz RLOSPFLMCYVXFG-UHFFFAOYSA-N 2 0 309.523 2.871 20 0 DFADRP COC[C@H]([NH2+]C1CC[NH+](C2CCCCC2)CC1)[C@H]1CCCO1 ZINC000366728056 429501095 /nfs/dbraw/zinc/50/10/95/429501095.db2.gz GWUWANAGYBCREC-ZWKOTPCHSA-N 2 0 310.482 2.567 20 0 DFADRP C[C@H]1C[C@H](O)C[N@H+](CC(C)(C)C[NH+](C)Cc2ccccc2)C1 ZINC000449767762 429501244 /nfs/dbraw/zinc/50/12/44/429501244.db2.gz QWCOVMVJADQTJT-WMZOPIPTSA-N 2 0 304.478 2.847 20 0 DFADRP CC(C)[N@H+](C)CCCNC(=O)[C@H]1CCCC[NH+]1C1CCCC1 ZINC000449803887 429514029 /nfs/dbraw/zinc/51/40/29/429514029.db2.gz QBMVIQDFKYFWHK-QGZVFWFLSA-N 2 0 309.498 2.630 20 0 DFADRP O=C(N[C@@H]1CC[N@@H+]2CCC[C@H]2C1)[C@@H]1CCCC[NH+]1C1CCCC1 ZINC000449810445 429516280 /nfs/dbraw/zinc/51/62/80/429516280.db2.gz LXVRZHUNBBCNHQ-NJAFHUGGSA-N 2 0 319.493 2.527 20 0 DFADRP CC[NH+](CC)C[C@@H](C)NC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC000449828471 429519857 /nfs/dbraw/zinc/51/98/57/429519857.db2.gz XEPQMDBIGLKZEK-WBVHZDCISA-N 2 0 309.498 2.630 20 0 DFADRP CC(C)[C@H]([NH3+])C(=O)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000521430597 429550761 /nfs/dbraw/zinc/55/07/61/429550761.db2.gz UFAKIOUAQMPYSQ-CVEARBPZSA-N 2 0 323.868 2.576 20 0 DFADRP CC(C)c1ccc([C@H]([NH3+])CNC(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)cc1 ZINC000428914606 429559638 /nfs/dbraw/zinc/55/96/38/429559638.db2.gz GAZMNYPZWJKPCV-RVKKMQEKSA-N 2 0 317.477 2.799 20 0 DFADRP CC[N@@H+]1CC[C@H](C[NH2+]Cc2ccc(C)cc2-c2cnn(C)c2)C1 ZINC000367025810 429561228 /nfs/dbraw/zinc/56/12/28/429561228.db2.gz FIZCKVBJLLMBPB-MRXNPFEDSA-N 2 0 312.461 2.827 20 0 DFADRP CC[C@@H]1Oc2cc([C@H](C)[NH2+][C@@H]3CCC[NH2+]CC3)ccc2NC1=O ZINC000521859014 429566370 /nfs/dbraw/zinc/56/63/70/429566370.db2.gz OFIDVWYMTZCVQG-BJJXKVORSA-N 2 0 317.433 2.589 20 0 DFADRP C[C@@H](CNC(=O)Nc1ccc2c(c1)C[NH2+]C2)C[NH+]1CCCCC1 ZINC000521984634 429572384 /nfs/dbraw/zinc/57/23/84/429572384.db2.gz AXYYBDHTIOOXOF-AWEZNQCLSA-N 2 0 316.449 2.533 20 0 DFADRP COCC1(C[NH2+][C@H]2CCN(Cc3ccccn3)C[C@@H]2C)CCC1 ZINC000367092505 429576614 /nfs/dbraw/zinc/57/66/14/429576614.db2.gz OSPUCAGVMVZOHT-WMZOPIPTSA-N 2 0 317.477 2.698 20 0 DFADRP CC[N@@H+]1CC[C@H](N(C)C[C@@H](C)NC(=O)OC(C)(C)C)C[C@@H]1C ZINC000492606921 429577015 /nfs/dbraw/zinc/57/70/15/429577015.db2.gz FVKPSICPXJAZQO-ILXRZTDVSA-N 2 0 313.486 2.704 20 0 DFADRP C[C@H](C[NH+]1CCC(CC[NH+](C)C)CC1)NC(=O)OC(C)(C)C ZINC000492611361 429578593 /nfs/dbraw/zinc/57/85/93/429578593.db2.gz VOWAXPUSXASRKD-CQSZACIVSA-N 2 0 313.486 2.563 20 0 DFADRP CC(C)[N@H+](C)Cc1cccc(CNC(=O)C[C@@H]2CCC[NH2+]C2)c1 ZINC000521068115 429537785 /nfs/dbraw/zinc/53/77/85/429537785.db2.gz MUBWTRCQKBDKQE-KRWDZBQOSA-N 2 0 317.477 2.533 20 0 DFADRP CC[N@@H+]1CCCC[C@H]1C(=O)Nc1ccc(C[NH+](C)C)c(C)c1 ZINC000458298464 429617364 /nfs/dbraw/zinc/61/73/64/429617364.db2.gz ZIXZZUWBHZNFGT-KRWDZBQOSA-N 2 0 303.450 2.870 20 0 DFADRP CC(C)[N@H+](C)CC1CC[NH+](CC(=O)N(C)C2CCCCC2)CC1 ZINC000524156023 429620106 /nfs/dbraw/zinc/62/01/06/429620106.db2.gz AJSBETWFZKLZSE-UHFFFAOYSA-N 2 0 323.525 2.830 20 0 DFADRP CCC[NH+](CCC)CCCC(=O)N1C[C@@H]([NH+]2CCCC2)C[C@H]1C ZINC000367331198 429623284 /nfs/dbraw/zinc/62/32/84/429623284.db2.gz DMEWPFUIJBKCKW-MSOLQXFVSA-N 2 0 323.525 2.974 20 0 DFADRP CC[NH+](CC)CCO[C@H]1CC[N@H+](Cc2cccc(C(C)=O)c2)C1 ZINC000450458026 429630687 /nfs/dbraw/zinc/63/06/87/429630687.db2.gz WWKUPVSJUQAFGE-IBGZPJMESA-N 2 0 318.461 2.822 20 0 DFADRP CC[NH+](CC)CCO[C@@H]1CC[N@H+](C[C@H]2CCC(F)(F)C2)C1 ZINC000450454986 429632259 /nfs/dbraw/zinc/63/22/59/429632259.db2.gz PMTJNSMGHUNWSG-LSDHHAIUSA-N 2 0 304.425 2.855 20 0 DFADRP CC(C)C[N@@H+]1Cc2cccc(NC(=O)/C=C\C[NH+](C)C)c2C1 ZINC000492860174 429632566 /nfs/dbraw/zinc/63/25/66/429632566.db2.gz CTSKLDFQYYDQJY-TWGQIWQCSA-N 2 0 301.434 2.715 20 0 DFADRP C(CC[NH+]1CCC[C@]12CCOC2)CC[N@@H+]1CCC[C@]12CCOC2 ZINC000367459690 429653042 /nfs/dbraw/zinc/65/30/42/429653042.db2.gz VJKADHPQUYLWLJ-RTBURBONSA-N 2 0 322.493 2.667 20 0 DFADRP CC[N@@H+]1CC[C@H]([NH+](C)C[C@H](O)[C@@H](C)c2ccccc2)[C@H](C)C1 ZINC000450561263 429649138 /nfs/dbraw/zinc/64/91/38/429649138.db2.gz GXKOTHYEMZXSQC-NEPXVJNWSA-N 2 0 304.478 2.813 20 0 DFADRP CC[N@H+](Cc1ccc(C(=O)N[C@H]2CCC[C@H]2C[NH3+])cc1)C1CC1 ZINC000429275747 429595039 /nfs/dbraw/zinc/59/50/39/429595039.db2.gz LJMJGPWXVYJTMX-WMZOPIPTSA-N 2 0 315.461 2.528 20 0 DFADRP CC(C)[N@H+](C)CC1CCN(C(=O)[C@H](C)[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC000523115934 429602031 /nfs/dbraw/zinc/60/20/31/429602031.db2.gz GAPDUMYSBYNUCQ-ZACQAIPSSA-N 2 0 323.525 2.827 20 0 DFADRP CC(C)CC(=O)N1CCC(C[N@@H+]2CCC[C@@H]([NH+](C)C)CC2)CC1 ZINC000367252558 429605753 /nfs/dbraw/zinc/60/57/53/429605753.db2.gz NETARAPAVBNLKR-GOSISDBHSA-N 2 0 323.525 2.687 20 0 DFADRP C[NH+](C)Cc1ccc(C(=O)N2CCC[N@@H+](C(C)(C)C)CC2)cc1 ZINC000523509875 429608324 /nfs/dbraw/zinc/60/83/24/429608324.db2.gz VLGMPLQNQVKZES-UHFFFAOYSA-N 2 0 317.477 2.695 20 0 DFADRP COC1(C[C@H](C)[NH2+]CCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CCC1 ZINC000429402012 429608423 /nfs/dbraw/zinc/60/84/23/429608423.db2.gz HWGROQISZXWJJE-YESZJQIVSA-N 2 0 312.498 2.813 20 0 DFADRP C[N@@H+]1CCCC[C@H]1CN1CC[NH+](CCC2=CCCCC2)CC1 ZINC000450388738 429614294 /nfs/dbraw/zinc/61/42/94/429614294.db2.gz JEATUSFGRVYNGT-IBGZPJMESA-N 2 0 305.510 2.979 20 0 DFADRP C[N@@H+]1CCC[C@H](C[NH2+]CC[C@H]2CCOC2=O)[C@H]1c1ccccc1 ZINC000367490286 429658980 /nfs/dbraw/zinc/65/89/80/429658980.db2.gz RVQJZVOMAKQXOG-RCCFBDPRSA-N 2 0 316.445 2.612 20 0 DFADRP C[N@H+](CC[C@@H]1CCOC1)[C@@H]1CCC[NH+](CC[C@@H]2CCOC2)CC1 ZINC000450613006 429660187 /nfs/dbraw/zinc/66/01/87/429660187.db2.gz LUYKAQDMQAHANE-GUDVDZBRSA-N 2 0 324.509 2.626 20 0 DFADRP C[C@@H](C(=O)Nc1cccc2c1C[NH2+]CC2)[NH+]1CCCCCC1 ZINC000367508019 429662340 /nfs/dbraw/zinc/66/23/40/429662340.db2.gz QUIZWMZIDPNTRB-AWEZNQCLSA-N 2 0 301.434 2.535 20 0 DFADRP C[C@H]1C[N@H+](CC23CCC(CC2)C3)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000450640746 429668183 /nfs/dbraw/zinc/66/81/83/429668183.db2.gz GWNDGZJZCGJRLT-BMHOQUIDSA-N 2 0 305.510 2.525 20 0 DFADRP C[C@@H]1C[N@H+](CCC2=CCCCC2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000450646463 429669171 /nfs/dbraw/zinc/66/91/71/429669171.db2.gz MVNPGORROPUJTM-MJGOQNOKSA-N 2 0 305.510 2.835 20 0 DFADRP C[C@H]1C[N@H+](C[C@@H]2CCC(F)(F)C2)CCN1C1CC[NH+](C)CC1 ZINC000450653754 429670047 /nfs/dbraw/zinc/67/00/47/429670047.db2.gz PTRHYHWTUJPNEM-LSDHHAIUSA-N 2 0 315.452 2.522 20 0 DFADRP CC[NH+](CC)Cc1ccc(C[NH2+][C@@H]2CC[N@H+](C)C[C@H]2C)cc1 ZINC000359608996 276110114 /nfs/dbraw/zinc/11/01/14/276110114.db2.gz UFQPCZVQBIQAPQ-VQIMIIECSA-N 3 0 303.494 2.958 20 0 DFADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+][C@H]2CCCc3sccc32)CC1 ZINC000121308837 276195974 /nfs/dbraw/zinc/19/59/74/276195974.db2.gz IGJRCLPBBQTWAQ-RDJZCZTQSA-N 2 0 321.534 2.989 20 0 DFADRP CC[NH+]1CCN([C@@H]2CC[N@H+](C[C@@H]3CC(C)=C[C@@H](C)C3)C2)CC1 ZINC000356219312 276198264 /nfs/dbraw/zinc/19/82/64/276198264.db2.gz GTDDIJJXVKDCGU-NZSAHSFTSA-N 2 0 305.510 2.691 20 0 DFADRP C[N@@H+]1CC[C@H]([NH2+]Cc2ccccc2Cn2cccn2)[C@H]2CCC[C@@H]21 ZINC000367601062 429682204 /nfs/dbraw/zinc/68/22/04/429682204.db2.gz MELQDQLTICDHRY-AABGKKOBSA-N 2 0 324.472 2.894 20 0 DFADRP CC[NH+](CC)CCCC1CC[NH+](C[C@H]2CCNC(=O)CC2)CC1 ZINC000450711461 429682862 /nfs/dbraw/zinc/68/28/62/429682862.db2.gz FDHPXQNBGYBIEH-GOSISDBHSA-N 2 0 323.525 2.737 20 0 DFADRP C[N@@H+]1CC[C@H]([NH2+]Cc2ccnc(N3CCCC3)c2)[C@@H]2CCC[C@H]21 ZINC000367639287 429690945 /nfs/dbraw/zinc/69/09/45/429690945.db2.gz UTFFWAKWNHYVLE-OKZBNKHCSA-N 2 0 314.477 2.644 20 0 DFADRP CN(CC[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@H]21)Cc1ccc(F)cc1 ZINC000367617735 429686865 /nfs/dbraw/zinc/68/68/65/429686865.db2.gz REFKDWHUZHEHQY-IPMKNSEASA-N 2 0 319.468 2.720 20 0 DFADRP C[NH+]1CCN(C[C@H]2CCC[N@H+](CCCCC(F)(F)F)C2)CC1 ZINC000367622081 429687166 /nfs/dbraw/zinc/68/71/66/429687166.db2.gz FCKDOSKJSVKAFQ-HNNXBMFYSA-N 2 0 321.431 2.678 20 0 DFADRP CC[NH2+]CC1CC[NH+]([C@H](C)C(=O)Nc2ccccc2C)CC1 ZINC000430596962 429698874 /nfs/dbraw/zinc/69/88/74/429698874.db2.gz KKBIJQWPXNGEKS-OAHLLOKOSA-N 2 0 303.450 2.644 20 0 DFADRP CC[N@H+](CC(=O)N1CCC[C@@H](C[NH+]2CCCC[C@H]2C)C1)C1CC1 ZINC000246258676 276311423 /nfs/dbraw/zinc/31/14/23/276311423.db2.gz KPCRVDUKTQBQRE-SJORKVTESA-N 2 0 321.509 2.584 20 0 DFADRP CCO[C@@H]1C[C@H]([NH2+]C2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)C1(C)C ZINC000305767018 276351551 /nfs/dbraw/zinc/35/15/51/276351551.db2.gz FOAWZOCYQJQXSA-ZJPYXAASSA-N 2 0 324.509 2.548 20 0 DFADRP c1ccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@@H]([NH2+]C[C@@H]2[C@H]4COC[C@H]42)C3)cc1 ZINC000367691132 429701554 /nfs/dbraw/zinc/70/15/54/429701554.db2.gz SYVBGTHGIBCEED-FXYHRWFLSA-N 2 0 312.457 2.664 20 0 DFADRP CSc1ccccc1NC(=O)CCN1CCCC[C@H]1C[NH3+] ZINC000430633645 429703330 /nfs/dbraw/zinc/70/33/30/429703330.db2.gz AHLDXHOCNWKPPF-ZDUSSCGKSA-N 2 0 307.463 2.550 20 0 DFADRP C[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]CCC2(O)CCOCC2)CC1 ZINC000367711027 429705533 /nfs/dbraw/zinc/70/55/33/429705533.db2.gz ZZBQNQZERPTODL-AEFFLSMTSA-N 2 0 324.509 2.551 20 0 DFADRP C[C@@H]1CCN(C(=O)OC(C)(C)C)CC[C@H]1[NH2+]CCC[NH+](C)C ZINC000367765544 429713120 /nfs/dbraw/zinc/71/31/20/429713120.db2.gz OGDYWJHEHFSZQI-HUUCEWRRSA-N 2 0 313.486 2.563 20 0 DFADRP C[C@H](CNC(=O)[C@H]1CCCCCC[C@@H]1[NH3+])[N@@H+]1CCCC[C@H]1C ZINC000430758717 429714742 /nfs/dbraw/zinc/71/47/42/429714742.db2.gz DGGGSFQNPRKMEH-NCOADZHNSA-N 2 0 309.498 2.663 20 0 DFADRP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)[C@H]1CCCCCC[C@H]1[NH3+] ZINC000430771431 429715270 /nfs/dbraw/zinc/71/52/70/429715270.db2.gz DDQQQMYZMYTPJB-IXDOHACOSA-N 2 0 309.498 2.665 20 0 DFADRP CN(C(=[NH2+])NC[C@H]1CC[N@H+](C)[C@H]1c1cccc(Cl)c1)C1CC1 ZINC000367809448 429721380 /nfs/dbraw/zinc/72/13/80/429721380.db2.gz GHASTMSWZZFZTJ-CJNGLKHVSA-N 2 0 320.868 2.951 20 0 DFADRP CC[C@H]([NH2+]CCCC[NH+]1CCN(C)CC1)c1cccc(F)c1 ZINC000527099077 429722732 /nfs/dbraw/zinc/72/27/32/429722732.db2.gz CKKYNQJWMZEFLF-SFHVURJKSA-N 2 0 307.457 2.894 20 0 DFADRP CC[C@H]([NH2+]C[C@H]1CC[N@H+](CCc2ccccc2)C1)[C@@H]1CCOC1 ZINC000482436601 429725863 /nfs/dbraw/zinc/72/58/63/429725863.db2.gz IYWKNFMDDTWMDR-AQNXPRMDSA-N 2 0 316.489 2.956 20 0 DFADRP CC(C)N(C)c1ccc(C[NH+]2CCC3(CC[NH2+]C3)CC2)cn1 ZINC000430942418 429726299 /nfs/dbraw/zinc/72/62/99/429726299.db2.gz LSVZYSRQJDZQDX-UHFFFAOYSA-N 2 0 302.466 2.502 20 0 DFADRP [NH3+]C[C@@H]1CC[N@H+](Cc2ccc(C(=O)Nc3ccccc3)cc2)C1 ZINC000430938354 429726383 /nfs/dbraw/zinc/72/63/83/429726383.db2.gz BMDMPFBMDKZTLZ-INIZCTEOSA-N 2 0 309.413 2.720 20 0 DFADRP c1nc(-c2ccccn2)sc1C[NH+]1CCC2(CC[NH2+]C2)CC1 ZINC000430950479 429727381 /nfs/dbraw/zinc/72/73/81/429727381.db2.gz RLPIHKHNISUZJW-UHFFFAOYSA-N 2 0 314.458 2.781 20 0 DFADRP C[C@H]1C[N@H+](CCOc2ccc(C(F)(F)F)cc2)CC[C@H]1[NH3+] ZINC000430951638 429729228 /nfs/dbraw/zinc/72/92/28/429729228.db2.gz VWZDKVQBYSLZBD-SMDDNHRTSA-N 2 0 302.340 2.753 20 0 DFADRP C[C@@H]1C[N@H+](CCOc2ccc(C(F)(F)F)cc2)CC[C@@H]1[NH3+] ZINC000430951636 429729416 /nfs/dbraw/zinc/72/94/16/429729416.db2.gz VWZDKVQBYSLZBD-RISCZKNCSA-N 2 0 302.340 2.753 20 0 DFADRP CCn1c2cccc(F)c2nc1C[NH+]1CCC2(CC[NH2+]C2)CC1 ZINC000431011645 429734175 /nfs/dbraw/zinc/73/41/75/429734175.db2.gz BIBZYVPJJPSZBH-UHFFFAOYSA-N 2 0 316.424 2.771 20 0 DFADRP C[N@H+](CCNC(=O)[C@H]1CCCCCC[C@H]1[NH3+])Cc1ccccc1 ZINC000431047301 429737588 /nfs/dbraw/zinc/73/75/88/429737588.db2.gz WRTMSRHKVFQABW-ZWKOTPCHSA-N 2 0 317.477 2.532 20 0 DFADRP C[C@@H]1C[C@H](c2ccccc2)C[N@@H+]1Cc1nc(C(C)(C)[NH3+])no1 ZINC000431077228 429739944 /nfs/dbraw/zinc/73/99/44/429739944.db2.gz AUIVBYXHLMDTQC-OCCSQVGLSA-N 2 0 300.406 2.641 20 0 DFADRP C[C@H]1C[N@@H+]2CCCC[C@H]2CN1Cc1cncn1Cc1ccccc1 ZINC000527324961 429743697 /nfs/dbraw/zinc/74/36/97/429743697.db2.gz STBLZNLIDRMJQG-HKUYNNGSSA-N 2 0 324.472 2.990 20 0 DFADRP C[C@H]([NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1)[C@@H]1OCCc2sccc21 ZINC000368144924 429797454 /nfs/dbraw/zinc/79/74/54/429797454.db2.gz XLBKOGRKWVBBJQ-CFAJVAMVSA-N 2 0 306.475 2.967 20 0 DFADRP COc1ccc(CC[NH2+]Cc2cnc(C)n2-c2ccccc2)cn1 ZINC000527794170 429799792 /nfs/dbraw/zinc/79/97/92/429799792.db2.gz YNTIOBLAFDVCAP-UHFFFAOYSA-N 2 0 322.412 2.917 20 0 DFADRP CC1CC[NH+](CCN2CC[N@H+](Cc3ccccc3)C[C@H]2C)CC1 ZINC000493654366 429804503 /nfs/dbraw/zinc/80/45/03/429804503.db2.gz IBRYISKEMCMUEJ-LJQANCHMSA-N 2 0 315.505 2.925 20 0 DFADRP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+]1CC[C@H](C)C[C@@H]1[C@H](C)O ZINC000527496090 429752677 /nfs/dbraw/zinc/75/26/77/429752677.db2.gz RTMQWECITUFIRJ-DHSIGJKJSA-N 2 0 314.433 2.557 20 0 DFADRP CC(C)[N@@H+]1CCCC[C@H]1CN1CC[NH+]([C@H]2C[C@H]2C)C[C@H](C)C1 ZINC000451065876 429760601 /nfs/dbraw/zinc/76/06/01/429760601.db2.gz WAIRAKBXLKIQLN-YRXWBPOGSA-N 2 0 307.526 2.911 20 0 DFADRP CC(C)C[C@@H](C)C[NH2+]Cc1cccnc1N1CC[NH+](C)CC1 ZINC000368020032 429768357 /nfs/dbraw/zinc/76/83/57/429768357.db2.gz UINMBVWMIKXZDJ-MRXNPFEDSA-N 2 0 304.482 2.605 20 0 DFADRP CN1CCN(C)[C@H](C[NH2+][C@@H]2CCC[C@H](c3ccccc3)CC2)C1 ZINC000527658637 429775840 /nfs/dbraw/zinc/77/58/40/429775840.db2.gz XYADRJHAOTYBJC-XUVXKRRUSA-N 2 0 315.505 2.938 20 0 DFADRP O[C@H]1CCC[C@H]1[NH+]1CCC([NH2+]Cc2ccc3cc[nH]c3c2)CC1 ZINC000527674941 429776612 /nfs/dbraw/zinc/77/66/12/429776612.db2.gz MZDJFHQQHMBZNB-MOPGFXCFSA-N 2 0 313.445 2.635 20 0 DFADRP C[C@H]1CCCC[N@@H+]1CCNC(=O)C[C@H](c1ccccc1)[NH+](C)C ZINC000431745477 429780395 /nfs/dbraw/zinc/78/03/95/429780395.db2.gz QSQZPGYXOAJYJS-FUHWJXTLSA-N 2 0 317.477 2.670 20 0 DFADRP C[N@@H+]1CCC[C@@H]1CC[NH+]1CCC[C@](O)(c2ccccc2)CC1 ZINC000368072736 429781001 /nfs/dbraw/zinc/78/10/01/429781001.db2.gz PZLKGTPZXTUKFV-RTBURBONSA-N 2 0 302.462 2.844 20 0 DFADRP CC[C@H]1CCCC[N@@H+]1CCNC(=O)CC[C@@H]1CCCC[NH+]1C ZINC000431784578 429782228 /nfs/dbraw/zinc/78/22/28/429782228.db2.gz LZHLOWDQPIGTDA-IRXDYDNUSA-N 2 0 309.498 2.632 20 0 DFADRP C[C@H](C[C@@H](C)[NH2+][C@H](C)CC[NH+](C)C)NC(=O)OC(C)(C)C ZINC000494362244 429868454 /nfs/dbraw/zinc/86/84/54/429868454.db2.gz GNBAPWCYRHLRGZ-MGPQQGTHSA-N 2 0 301.475 2.608 20 0 DFADRP CC(C)[NH+]1CCN([C@@H]2CC[N@@H+]([C@@H]3C[C@H]3c3ccccc3)C2)CC1 ZINC000368273470 429820900 /nfs/dbraw/zinc/82/09/00/429820900.db2.gz MSSVEQSJGGAIBO-HSALFYBXSA-N 2 0 313.489 2.643 20 0 DFADRP CC(C)c1cccc(NC(=[NH2+])NC[C@H]2CN(C3CC3)CCO2)c1 ZINC000368355065 429836272 /nfs/dbraw/zinc/83/62/72/429836272.db2.gz NBKBFXQSUABIQR-KRWDZBQOSA-N 2 0 316.449 2.609 20 0 DFADRP C[C@H](C[NH2+]C1CCC(O)(c2ccccc2)CC1)N(C)C1CC1 ZINC000368354344 429836927 /nfs/dbraw/zinc/83/69/27/429836927.db2.gz OCHIZKQQMNKZRZ-LSJNQWAISA-N 2 0 302.462 2.889 20 0 DFADRP CCC[N@@H+]1CC[C@@H](C[NH2+]C2CCC(c3nc(C)no3)CC2)C1 ZINC000368369021 429838012 /nfs/dbraw/zinc/83/80/12/429838012.db2.gz GPAGJAMACVJAJJ-FHERZECASA-N 2 0 306.454 2.726 20 0 DFADRP CC[C@@]1(C(=O)NC2CC[NH+](C3CCC(C)CC3)CC2)CCC[NH2+]1 ZINC000368396063 429841054 /nfs/dbraw/zinc/84/10/54/429841054.db2.gz YQIIKWRXVNSNAJ-KVWWFHCMSA-N 2 0 321.509 2.678 20 0 DFADRP CN1CC[NH+](CC2(C)CC[NH+]([C@H]3CCC(C)(C)C3)CC2)CC1 ZINC000368401160 429842782 /nfs/dbraw/zinc/84/27/82/429842782.db2.gz YLVRWOHVSARZDH-KRWDZBQOSA-N 2 0 307.526 2.915 20 0 DFADRP Cc1cccc(CC[C@H](C)[NH2+]C[C@H]2CN3CCC[C@@H]3CO2)c1 ZINC000368539236 429864658 /nfs/dbraw/zinc/86/46/58/429864658.db2.gz SBGZGTQGKVTFIZ-UHOSZYNNSA-N 2 0 302.462 2.769 20 0 DFADRP C[C@@H]([NH2+]Cc1ccc(C[NH+]2CCC(O)CC2)cc1)[C@@H]1CC12CC2 ZINC000527859226 429810365 /nfs/dbraw/zinc/81/03/65/429810365.db2.gz OAUIBCOAPCAQPQ-BEFAXECRSA-N 2 0 314.473 2.922 20 0 DFADRP CO[C@@H](Cc1ccc(F)cc1)C[NH+]1CCC(C[NH+](C)C)CC1 ZINC000528355091 429877867 /nfs/dbraw/zinc/87/78/67/429877867.db2.gz MKFQFBGNOGTYBJ-SFHVURJKSA-N 2 0 308.441 2.657 20 0 DFADRP CO[C@H](Cc1ccc(F)cc1)C[N@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000528385355 429882568 /nfs/dbraw/zinc/88/25/68/429882568.db2.gz BPVYEJVFGSAERQ-SJLPKXTDSA-N 2 0 308.441 2.657 20 0 DFADRP CC[NH+](CC)C[C@H]1CCN([C@H]2CCN(C3CCCCC3)C2=O)C1 ZINC000528398632 429885499 /nfs/dbraw/zinc/88/54/99/429885499.db2.gz XOYILWLQHILQEI-AEFFLSMTSA-N 2 0 321.509 2.584 20 0 DFADRP CC(C)[C@H](C(=O)Nc1cccc2c1C[N@@H+](C1CC1)C2)[NH+](C)C ZINC000368819221 429896892 /nfs/dbraw/zinc/89/68/92/429896892.db2.gz SCMRBLHAVZGUIF-QGZVFWFLSA-N 2 0 301.434 2.689 20 0 DFADRP C[C@@H](CCC1CCCC1)[NH2+][C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1 ZINC000556952632 429924761 /nfs/dbraw/zinc/92/47/61/429924761.db2.gz HMFKMIAACJGFGH-YJLNNSPDSA-N 2 0 321.509 2.582 20 0 DFADRP CC(C)N(CC[NH+]1CCCCCC1)C(=O)[C@@H](C)Cc1c[nH]cn1 ZINC000573575785 429963980 /nfs/dbraw/zinc/96/39/80/429963980.db2.gz DCLCKQAWUDFKGQ-INIZCTEOSA-N 2 0 320.481 2.701 20 0 DFADRP C[NH+](C)[C@H](CNC(=O)CC[C@@H]1CCCC[N@@H+]1C)c1ccccc1 ZINC000558348677 429967765 /nfs/dbraw/zinc/96/77/65/429967765.db2.gz CMJKTDNYNVWJEK-ZWKOTPCHSA-N 2 0 317.477 2.670 20 0 DFADRP C[C@H](c1ccccc1)[C@@H](O)C[N@@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC000639754691 429970323 /nfs/dbraw/zinc/97/03/23/429970323.db2.gz DMOVFRBBDKWXAM-AEFFLSMTSA-N 2 0 302.462 2.569 20 0 DFADRP C[NH+]1CCC2(CC[N@@H+]([C@H]3CCN(Cc4ccccc4)C3)C2)CC1 ZINC000639754566 429970627 /nfs/dbraw/zinc/97/06/27/429970627.db2.gz CGQMJWAYQXPVTO-IBGZPJMESA-N 2 0 313.489 2.679 20 0 DFADRP COc1ccc(OCCC[N@@H+]2CCC3(C2)CC[NH+](C)CC3)cc1 ZINC000639760426 429972411 /nfs/dbraw/zinc/97/24/11/429972411.db2.gz XLECXCAUFBETKG-UHFFFAOYSA-N 2 0 318.461 2.882 20 0 DFADRP CC(C)CCC[C@H](C)NC(=O)C[N@@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC000639762070 429972716 /nfs/dbraw/zinc/97/27/16/429972716.db2.gz JYZSWTGHAAXIJC-KRWDZBQOSA-N 2 0 323.525 2.735 20 0 DFADRP Cc1cccc(NC(=O)[C@@H](C)[N@@H+]2CCC3(C2)CC[NH+](C)CC3)c1 ZINC000639760388 429973238 /nfs/dbraw/zinc/97/32/38/429973238.db2.gz WPAKBQHJZQDVGE-MRXNPFEDSA-N 2 0 315.461 2.740 20 0 DFADRP CCCOc1ccc(OCC[N@@H+]2CC[C@@]3(C2)CCC[NH2+]C3)cc1 ZINC000573724231 429976269 /nfs/dbraw/zinc/97/62/69/429976269.db2.gz XHHPGADICDIAJL-IBGZPJMESA-N 2 0 318.461 2.930 20 0 DFADRP [NH3+][C@@H]1CCC[C@@H]([NH2+]C2CC(N3CCC(C(F)(F)F)CC3)C2)C1 ZINC000573741398 429978027 /nfs/dbraw/zinc/97/80/27/429978027.db2.gz IBUMLCHQJKIWEG-LMRVLLHPSA-N 2 0 319.415 2.651 20 0 DFADRP CC(C)NC(=O)[C@@H]1CCC[C@H]([NH2+][C@@H](C)C[C@H]2CCCCC[NH2+]2)C1 ZINC000573197749 429933024 /nfs/dbraw/zinc/93/30/24/429933024.db2.gz ZTOLGUWTWMDRRD-MLHJIOFPSA-N 2 0 323.525 2.970 20 0 DFADRP C[C@@H]1CN(CCCc2cncn2C)C[C@@H](c2ccsc2)O1 ZINC000573217004 429936722 /nfs/dbraw/zinc/93/67/22/429936722.db2.gz WJHUOQRJWWAMNR-CJNGLKHVSA-N 2 0 305.447 2.876 20 0 DFADRP CC(C)[NH+]1CCN([C@@H]2CC[N@H+](CCCc3ccccc3)C2)CC1 ZINC000369397025 429937723 /nfs/dbraw/zinc/93/77/23/429937723.db2.gz CQUKWMXSRGMYSD-HXUWFJFHSA-N 2 0 315.505 2.720 20 0 DFADRP O[C@H](C[N@@H+]1CCCN(c2cc[nH+]cc2)CC1)C1CCCCC1 ZINC000639683680 429946039 /nfs/dbraw/zinc/94/60/39/429946039.db2.gz LGBSQVWMQIRQEI-GOSISDBHSA-N 2 0 303.450 2.535 20 0 DFADRP COCc1ccc(C[N@@H+]2CCCN(c3cc[nH+]cc3)CC2)cc1 ZINC000639683712 429947283 /nfs/dbraw/zinc/94/72/83/429947283.db2.gz MQALXTGLZJBLOR-UHFFFAOYSA-N 2 0 311.429 2.940 20 0 DFADRP CC[N@H+](CCc1nccs1)Cc1ccc2c(c1)C[NH2+]CC2 ZINC000573379445 429948613 /nfs/dbraw/zinc/94/86/13/429948613.db2.gz IEMSBBQCXGRMSA-UHFFFAOYSA-N 2 0 301.459 2.853 20 0 DFADRP Cc1cc(C[NH3+])oc1-c1nc(-c2ccc(C[NH+](C)C)cc2)no1 ZINC000634554589 430034717 /nfs/dbraw/zinc/03/47/17/430034717.db2.gz GMJAUIUBCLLNCM-UHFFFAOYSA-N 2 0 312.373 2.825 20 0 DFADRP CCCNC(=O)CCCN1CCC(CC)([NH+]2CCCC2)CC1 ZINC000639987082 430045727 /nfs/dbraw/zinc/04/57/27/430045727.db2.gz WCQVCPFCXOZJLZ-UHFFFAOYSA-N 2 0 309.498 2.633 20 0 DFADRP CCC1([NH+]2CCCC2)CCN([C@@H](C)C(=O)N2CCCCC2)CC1 ZINC000639987612 430045873 /nfs/dbraw/zinc/04/58/73/430045873.db2.gz GRANIQLZLUTDDD-KRWDZBQOSA-N 2 0 321.509 2.728 20 0 DFADRP CCCCOC[C@@H](O)CN1CCC(CC)([NH+]2CCCC2)CC1 ZINC000639987085 430046452 /nfs/dbraw/zinc/04/64/52/430046452.db2.gz WEYNMGKHZFKZDD-KRWDZBQOSA-N 2 0 312.498 2.504 20 0 DFADRP CCC1([NH+]2CCCC2)CCN([C@@H](C)C(=O)NC2CCCC2)CC1 ZINC000639988496 430046867 /nfs/dbraw/zinc/04/68/67/430046867.db2.gz UCAXKEJBVOBJKG-INIZCTEOSA-N 2 0 321.509 2.774 20 0 DFADRP Cc1cc(C)cc(OC[C@H](O)C[NH2+][C@@H](C)C(C)(C)C[NH+](C)C)c1 ZINC000573913790 429992371 /nfs/dbraw/zinc/99/23/71/429992371.db2.gz MUJSHIKFDSIDKM-DLBZAZTESA-N 2 0 322.493 2.609 20 0 DFADRP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1ccc2c(c1)CCC(=O)N2 ZINC000573915587 429994446 /nfs/dbraw/zinc/99/44/46/429994446.db2.gz AXAHXPBYXGYQEE-FCLXEUQJSA-N 2 0 313.445 2.847 20 0 DFADRP C[NH+](C)CCOc1ccccc1C[NH2+]C[C@@H](O)CC1CCCC1 ZINC000573955184 429997860 /nfs/dbraw/zinc/99/78/60/429997860.db2.gz ZZLAGKUITOBPDK-SFHVURJKSA-N 2 0 320.477 2.658 20 0 DFADRP CCC[C@]1(CO)CC[N@H+](Cc2cn(-c3cc[nH+]cc3)nc2C)C1 ZINC000574002275 430000271 /nfs/dbraw/zinc/00/02/71/430000271.db2.gz ADSZIZLBVXGVMZ-SFHVURJKSA-N 2 0 314.433 2.560 20 0 DFADRP C/C(=C\c1ccccc1)C[NH2+][C@@H](C)CCN1CC[NH+](C)CC1 ZINC000192710595 276829535 /nfs/dbraw/zinc/82/95/35/276829535.db2.gz WBTXIEVJNDHWSZ-ODECOBMASA-N 2 0 301.478 2.706 20 0 DFADRP CC[C@H](C)C[C@H](CC)[NH2+]CC(=O)NCC[NH+]1CCCCCC1 ZINC000574215042 430021417 /nfs/dbraw/zinc/02/14/17/430021417.db2.gz VTUYJSWKSCABDL-IRXDYDNUSA-N 2 0 311.514 2.783 20 0 DFADRP Fc1ccc(C[NH2+]CC2CCN(c3cc[nH+]cc3)CC2)nc1 ZINC000529544443 430026373 /nfs/dbraw/zinc/02/63/73/430026373.db2.gz OIOWLLPQBZOUDD-UHFFFAOYSA-N 2 0 300.381 2.622 20 0 DFADRP CC1(C)C[NH2+]CC[C@@H]([NH2+]Cc2ccc(N3CCCC3)nc2)C1 ZINC000634732583 430093118 /nfs/dbraw/zinc/09/31/18/430093118.db2.gz JPHWNQUFJSHBQR-MRXNPFEDSA-N 2 0 302.466 2.550 20 0 DFADRP C[C@]12C[NH2+]C[C@@]1(C)CN(C(=O)CC[C@@H]([NH3+])CC1CCCCC1)C2 ZINC000634742245 430097271 /nfs/dbraw/zinc/09/72/71/430097271.db2.gz FGQRGOIQCNTQJQ-QRQLOZEOSA-N 2 0 321.509 2.522 20 0 DFADRP C[C@@H](N[C@H](C[NH+](C)C)c1ccc(Cl)c(Cl)c1)C1C[NH2+]C1 ZINC000530226918 430105742 /nfs/dbraw/zinc/10/57/42/430105742.db2.gz UXFROWYXWGDMFM-MEBBXXQBSA-N 2 0 316.276 2.794 20 0 DFADRP CO[C@H](C[N@@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1)c1ccc(F)cc1 ZINC000530220950 430105799 /nfs/dbraw/zinc/10/57/99/430105799.db2.gz KVKFFXNCSDPGOZ-XYJFISCASA-N 2 0 306.425 2.835 20 0 DFADRP CO[C@H](C[N@@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1)c1ccc(F)cc1 ZINC000530220948 430106298 /nfs/dbraw/zinc/10/62/98/430106298.db2.gz KVKFFXNCSDPGOZ-SOLBZPMBSA-N 2 0 306.425 2.835 20 0 DFADRP ClC1(Cl)C[C@H]1CC[NH+]1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000530240448 430106759 /nfs/dbraw/zinc/10/67/59/430106759.db2.gz LCMDYBIVBHVVHS-KGLIPLIRSA-N 2 0 321.292 2.661 20 0 DFADRP COc1ccc(C[N@H+](CCn2ccnc2)[C@@H](C)CCCO)cc1 ZINC000640016550 430055482 /nfs/dbraw/zinc/05/54/82/430055482.db2.gz NKKDZUJXPUBFQM-INIZCTEOSA-N 2 0 317.433 2.555 20 0 DFADRP COCC1([NH2+]C2CC[NH+]([C@H]3CCC[C@H](C)C3)CC2)CCOCC1 ZINC000560556374 430055789 /nfs/dbraw/zinc/05/57/89/430055789.db2.gz DHIBDXBJIYEJMU-WMZOPIPTSA-N 2 0 324.509 2.815 20 0 DFADRP C[NH+](C)CCCCC(=O)N1CCC[N@H+](CC2CCCCC2)CC1 ZINC000560597855 430057284 /nfs/dbraw/zinc/05/72/84/430057284.db2.gz NXCPVWVMRDSCKE-UHFFFAOYSA-N 2 0 323.525 2.833 20 0 DFADRP [NH3+][C@@H]1CCCCC[C@H]1[NH2+]CC1(CO)CC(c2ccccc2)C1 ZINC000580946274 430163638 /nfs/dbraw/zinc/16/36/38/430163638.db2.gz TYULXPHKKVCOFR-QGLXBCBXSA-N 2 0 302.462 2.792 20 0 DFADRP Cc1nccn1CCCNC1(C(=O)OC(C)(C)C)CCCC1 ZINC000535669714 430164996 /nfs/dbraw/zinc/16/49/96/430164996.db2.gz WANCDLXMQQYNNH-UHFFFAOYSA-N 2 0 307.438 2.826 20 0 DFADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)CCCC1CCCCC1 ZINC000530641410 430121430 /nfs/dbraw/zinc/12/14/30/430121430.db2.gz OQARNCMYKWFVPK-UHFFFAOYSA-N 2 0 311.514 2.689 20 0 DFADRP C[NH2+]C[C@H]1CCCN(Cc2cccc(-c3ccc(N)cc3)n2)C1 ZINC000634991067 430185332 /nfs/dbraw/zinc/18/53/32/430185332.db2.gz OGGWWSMFTDOGJJ-OAHLLOKOSA-N 2 0 310.445 2.762 20 0 DFADRP C[C@@H]1CCCN(Cc2cccc(-c3ccc(N)cc3)n2)[C@@H]1C[NH3+] ZINC000634990899 430185946 /nfs/dbraw/zinc/18/59/46/430185946.db2.gz HNPNRZSNBHHCDQ-AUUYWEPGSA-N 2 0 310.445 2.890 20 0 DFADRP C[N@H+](Cc1cccc(-c2ccc(N)cc2)n1)[C@@H]1CCC[NH2+]CC1 ZINC000634994148 430186657 /nfs/dbraw/zinc/18/66/57/430186657.db2.gz SFSBXHZFEYSLCG-GOSISDBHSA-N 2 0 310.445 2.905 20 0 DFADRP Cc1cccc2c1CC[C@H]2Nc1cc(N2CC[NH2+]CC2)cc[nH+]1 ZINC000635006674 430194668 /nfs/dbraw/zinc/19/46/68/430194668.db2.gz CHYJBVFWNZYSAA-GOSISDBHSA-N 2 0 308.429 2.899 20 0 DFADRP COCC[C@@H](Cc1cccc(F)c1)[NH2+][C@H]1CC[C@H](C[NH3+])CC1 ZINC000635004335 430194794 /nfs/dbraw/zinc/19/47/94/430194794.db2.gz CXZDYCYWOATQMW-WBAXXEDZSA-N 2 0 308.441 2.880 20 0 DFADRP [NH3+]C1CCC([NH2+][C@@H](CCO)c2ccc(Cl)c(F)c2)CC1 ZINC000634997943 430188661 /nfs/dbraw/zinc/18/86/61/430188661.db2.gz WURYFJBSGUWNHR-QOZQQMKHSA-N 2 0 300.805 2.762 20 0 DFADRP CCC[C@H](C[N@@H+]1CC[C@@H](n2cc(C[NH3+])nn2)C1)c1ccccc1 ZINC000635000245 430189340 /nfs/dbraw/zinc/18/93/40/430189340.db2.gz KCUKAYHQGYWTSE-SJLPKXTDSA-N 2 0 313.449 2.568 20 0 DFADRP C[NH+]1CCN(c2cccc(Cl)c2C[NH2+]CC2(C)CC2)CC1 ZINC000356266152 277113381 /nfs/dbraw/zinc/11/33/81/277113381.db2.gz KUGCLVFWEMVSCR-UHFFFAOYSA-N 2 0 307.869 2.982 20 0 DFADRP Cc1nn(Cc2ccccc2)c(C)c1C[N@H+]1C[C@H](C)[C@H](C[NH3+])C1 ZINC000634999241 430190795 /nfs/dbraw/zinc/19/07/95/430190795.db2.gz RLGFVUYDXYYXRY-KBXCAEBGSA-N 2 0 312.461 2.575 20 0 DFADRP CC[C@H](NC[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C)[C@@H]1CCC[NH2+]1 ZINC000635003755 430191798 /nfs/dbraw/zinc/19/17/98/430191798.db2.gz LIERFKPBDUBMAV-LEAZDLGRSA-N 2 0 315.505 2.875 20 0 DFADRP C[C@@H](C(=O)N1CCCCCC1)[N@H+](C)CCCC[NH+]1CCCCC1 ZINC000640532321 430192085 /nfs/dbraw/zinc/19/20/85/430192085.db2.gz WZARJCMACICUAZ-SFHVURJKSA-N 2 0 323.525 2.975 20 0 DFADRP Brc1ccc2c(c1)C[C@@H]1[C@H]2[C@H]1[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000635001224 430192343 /nfs/dbraw/zinc/19/23/43/430192343.db2.gz KWTRUFALTBZFRT-OJLVUWQFSA-N 2 0 321.262 2.819 20 0 DFADRP CC[C@@H]1CCCCN1C(=O)C[N@H+](C)CCCC[NH+]1CCCCC1 ZINC000640532821 430192600 /nfs/dbraw/zinc/19/26/00/430192600.db2.gz WLHGIVWPABOEFG-GOSISDBHSA-N 2 0 323.525 2.975 20 0 DFADRP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+][C@@H]1CC(=O)N(c2ccccc2Cl)C1 ZINC000581245745 430192767 /nfs/dbraw/zinc/19/27/67/430192767.db2.gz VIKJXTJEVIORPQ-GZBFAFLISA-N 2 0 321.852 2.552 20 0 DFADRP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+][C@H]1CC(=O)N(c2ccccc2Cl)C1 ZINC000581245746 430192843 /nfs/dbraw/zinc/19/28/43/430192843.db2.gz VIKJXTJEVIORPQ-KCQAQPDRSA-N 2 0 321.852 2.552 20 0 DFADRP CC(C)(C)[NH+]1CCC(NCC[C@@H]([NH3+])Cc2ccccc2)CC1 ZINC000635005124 430192898 /nfs/dbraw/zinc/19/28/98/430192898.db2.gz HHYVOZMGIQAONW-QGZVFWFLSA-N 2 0 303.494 2.799 20 0 DFADRP [NH3+]C[C@H]1CC[C@H]([NH2+][C@H](c2ncc[nH]2)c2ccc(F)cc2)CC1 ZINC000635007301 430192997 /nfs/dbraw/zinc/19/29/97/430192997.db2.gz VYAHPZJMNXZJKF-RCBQFDQVSA-N 2 0 302.397 2.745 20 0 DFADRP CC(C)(C)[NH+]1CCC([NH2+][C@H]2CCOC3(CCOCC3)C2)CC1 ZINC000358284167 277152594 /nfs/dbraw/zinc/15/25/94/277152594.db2.gz FFESQXJQESJULI-INIZCTEOSA-N 2 0 310.482 2.567 20 0 DFADRP C[C@H]([NH2+][C@H]1CC[C@H](C[NH3+])CC1)c1ccc(C(=O)N(C)C)cc1 ZINC000635005114 430193629 /nfs/dbraw/zinc/19/36/29/430193629.db2.gz MPMVZAHEHZSEGW-ZQIUZPCESA-N 2 0 303.450 2.557 20 0 DFADRP CC1(C)[C@H]([NH2+]CC[C@H]([NH3+])Cc2ccccc2)[C@H]2CCCO[C@H]21 ZINC000635006881 430193778 /nfs/dbraw/zinc/19/37/78/430193778.db2.gz NCAXNFCYAILWTF-BSDSXHPESA-N 2 0 302.462 2.740 20 0 DFADRP C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C[NH2+]C1CCC(C[NH3+])CC1 ZINC000635005634 430194220 /nfs/dbraw/zinc/19/42/20/430194220.db2.gz VUQKECUSDZVZFN-YMPIPDKKSA-N 3 0 315.505 2.862 20 0 DFADRP CCOC(=O)[C@H](CC(C)C)N1CCC(Nc2ccccn2)CC1 ZINC000542041665 430200804 /nfs/dbraw/zinc/20/08/04/430200804.db2.gz MZQKAVZYRFRMCW-INIZCTEOSA-N 2 0 319.449 2.936 20 0 DFADRP COc1ccc([C@@H](C)Nc2cc(N3CC[NH2+]CC3)cc[nH+]2)cc1 ZINC000635010985 430195938 /nfs/dbraw/zinc/19/59/38/430195938.db2.gz XCWVSCMMQLPOCF-CQSZACIVSA-N 2 0 312.417 2.673 20 0 DFADRP COc1ccc2c(c1)[C@@H](Nc1cc(N3CC[NH2+]CC3)cc[nH+]1)CC2 ZINC000635009451 430196144 /nfs/dbraw/zinc/19/61/44/430196144.db2.gz NGCQKZHXYYQIJN-SFHVURJKSA-N 2 0 324.428 2.599 20 0 DFADRP Cc1cccc(NC(=O)C[C@@H](C)[NH2+][C@H]2CC[C@H](C[NH3+])CC2)c1 ZINC000635009414 430196256 /nfs/dbraw/zinc/19/62/56/430196256.db2.gz YJYMETKUXALJNA-BZUAXINKSA-N 2 0 303.450 2.819 20 0 DFADRP C[C@H](CCc1ccco1)Nc1cc(N2CC[NH2+]CC2)cc[nH+]1 ZINC000635010983 430196358 /nfs/dbraw/zinc/19/63/58/430196358.db2.gz XCJWNTMNTOPUNB-CQSZACIVSA-N 2 0 300.406 2.517 20 0 DFADRP C[C@H](Nc1cc(N2CC[NH2+]CC2)cc[nH+]1)c1cccc(F)c1F ZINC000635008452 430196435 /nfs/dbraw/zinc/19/64/35/430196435.db2.gz JXIFMIKAFUCDAV-LBPRGKRZSA-N 2 0 318.371 2.943 20 0 DFADRP Fc1ccc([C@@H]2OCC[C@H]2C[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000635011267 430196488 /nfs/dbraw/zinc/19/64/88/430196488.db2.gz DPVMSFZISAQBLL-XYAUDYEYSA-N 2 0 304.409 2.776 20 0 DFADRP CC1(C)C[NH2+]CC[C@H]([NH2+]C2CCC(O)(C(F)(F)F)CC2)C1 ZINC000635011183 430196542 /nfs/dbraw/zinc/19/65/42/430196542.db2.gz MVMRHRHLHMZKFG-LXVYMNJGSA-N 2 0 308.388 2.590 20 0 DFADRP c1cc2c(cccc2C[NH2+]Cc2cc(C3CC[NH2+]CC3)no2)[nH]1 ZINC000635011178 430196601 /nfs/dbraw/zinc/19/66/01/430196601.db2.gz DCSFXCLCKIIZTH-UHFFFAOYSA-N 2 0 310.401 2.913 20 0 DFADRP C[C@H]([NH2+][C@@H]1CC[NH2+]CC(C)(C)C1)c1ccccc1-n1ccnn1 ZINC000635012371 430196609 /nfs/dbraw/zinc/19/66/09/430196609.db2.gz TXKZUJRPPRLWOX-LSDHHAIUSA-N 2 0 313.449 2.696 20 0 DFADRP Oc1cccc2c1CCC[C@H]2Nc1cc(N2CC[NH2+]CC2)cc[nH+]1 ZINC000635009338 430196616 /nfs/dbraw/zinc/19/66/16/430196616.db2.gz MZIGBYDVOQGFKG-QGZVFWFLSA-N 2 0 324.428 2.686 20 0 DFADRP Cc1ccc(CN2CC[C@H]([NH2+][C@H]3CC[NH2+]CC[C@H]3C)C2)cc1 ZINC000635011527 430196679 /nfs/dbraw/zinc/19/66/79/430196679.db2.gz GCBZIFJJCQMJTK-NEWSRXKRSA-N 2 0 301.478 2.547 20 0 DFADRP CCc1ccc([C@@H](C)Nc2cc(N3CC[NH2+]CC3)cc[nH+]2)o1 ZINC000635010168 430196802 /nfs/dbraw/zinc/19/68/02/430196802.db2.gz QVTVMWACHAEPNJ-CYBMUJFWSA-N 2 0 300.406 2.820 20 0 DFADRP FC(F)(F)[C@@H]1C[C@H]1[NH2+][C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000635012029 430196838 /nfs/dbraw/zinc/19/68/38/430196838.db2.gz ISBYUPFMERFRCI-CXTNEJHOSA-N 2 0 312.335 2.783 20 0 DFADRP Cc1ccc(CN2CC[C@H]([NH2+][C@H]3CCCCC[C@@H]3[NH3+])C2)cc1 ZINC000635013009 430197302 /nfs/dbraw/zinc/19/73/02/430197302.db2.gz PVLLVDRAGONFQS-FHWLQOOXSA-N 2 0 301.478 2.819 20 0 DFADRP CC(C)[C@H]1CN([C@H]2CC[NH2+][C@H](c3ccccc3)C2)CC[N@@H+]1C ZINC000635014136 430197373 /nfs/dbraw/zinc/19/73/73/430197373.db2.gz YHHXHDCESBXJRH-GBESFXJTSA-N 2 0 301.478 2.752 20 0 DFADRP COC[C@H](CCC[NH3+])[NH2+]Cc1c(Cl)cccc1OC(F)F ZINC000635012782 430197847 /nfs/dbraw/zinc/19/78/47/430197847.db2.gz OTAALJOIODNWBP-JTQLQIEISA-N 2 0 322.783 2.785 20 0 DFADRP COc1ccc(COCCC[NH2+][C@H](C)[C@@H]2CCC[NH2+]C2)cc1 ZINC000581304657 430198031 /nfs/dbraw/zinc/19/80/31/430198031.db2.gz VKYVKVQZVMDXDM-NVXWUHKLSA-N 2 0 306.450 2.580 20 0 DFADRP Cc1ccc(CN2CC[C@H]([NH2+][C@@H]3CC[C@@H]4C[NH2+]C[C@@H]4C3)C2)cc1 ZINC000635014167 430198093 /nfs/dbraw/zinc/19/80/93/430198093.db2.gz YOBSOUJBVWYDBU-WCIQWLHISA-N 2 0 313.489 2.547 20 0 DFADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]Cc1cccc2c1CCOC2 ZINC000635013970 430198853 /nfs/dbraw/zinc/19/88/53/430198853.db2.gz XHCJQRYQXNVBDD-ZDUSSCGKSA-N 2 0 311.429 2.772 20 0 DFADRP C[C@@H](CC(=O)Nc1ccccc1)[NH2+]Cc1cccc2c1CC[NH2+]C2 ZINC000635024245 430200254 /nfs/dbraw/zinc/20/02/54/430200254.db2.gz UYWMBDFDRSWBGV-HNNXBMFYSA-N 2 0 323.440 2.839 20 0 DFADRP C[C@H](C(=O)NC[C@H](c1cccs1)[NH+]1CCC(C)CC1)[NH+](C)C ZINC000635114606 430211538 /nfs/dbraw/zinc/21/15/38/430211538.db2.gz YBFZTJVHWUBSDH-HUUCEWRRSA-N 2 0 323.506 2.587 20 0 DFADRP C[N@H+](CC1CC[NH+](C)CC1)[C@@H](c1nnc[nH]1)C1CCCCC1 ZINC000638029119 430211693 /nfs/dbraw/zinc/21/16/93/430211693.db2.gz LYIPEUFUHLRUSY-MRXNPFEDSA-N 2 0 305.470 2.700 20 0 DFADRP COC(=O)C[C@@H]1CC[C@H]([NH2+]C2CC[NH+](C3CCC3)CC2)[C@H]1C ZINC000354146607 277326195 /nfs/dbraw/zinc/32/61/95/277326195.db2.gz OUFVYLWCQGHZQZ-ZQIUZPCESA-N 2 0 308.466 2.571 20 0 DFADRP CC[NH2+][C@@H](C)C(=O)Nc1ccc(C[NH+]2CCC(C)CC2)cc1 ZINC000638064771 430223326 /nfs/dbraw/zinc/22/33/26/430223326.db2.gz WPWXFGYQSCKSJX-HNNXBMFYSA-N 2 0 303.450 2.855 20 0 DFADRP C[N@H+](C[C@H]1CCN(c2ccccc2)C1)CC1CC[NH+](C)CC1 ZINC000638029650 430212937 /nfs/dbraw/zinc/21/29/37/430212937.db2.gz RANMCDIRBGPVPX-GOSISDBHSA-N 2 0 301.478 2.787 20 0 DFADRP c1cc(N2CCCC2)ncc1CN1CCCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000566225663 430250343 /nfs/dbraw/zinc/25/03/43/430250343.db2.gz BYDHNTYVJANCEK-ZWKOTPCHSA-N 2 0 314.477 2.788 20 0 DFADRP CC[N@H+](C)C[C@@H](O)CN[C@H](CC(F)(F)F)c1ccccc1 ZINC000566417318 430257610 /nfs/dbraw/zinc/25/76/10/430257610.db2.gz XFXIZOYSJUOCPE-UONOGXRCSA-N 2 0 304.356 2.582 20 0 DFADRP C[C@@H](c1ccc([S@@](C)=O)cc1)[N@H+](C)CCCc1cncn1C ZINC000566414677 430258673 /nfs/dbraw/zinc/25/86/73/430258673.db2.gz SJWFODYNTVZTHU-RCDICMHDSA-N 2 0 319.474 2.783 20 0 DFADRP OC[C@H](C[NH2+]C1CC[NH+](C2CCCCC2)CC1)Cc1ccco1 ZINC000543769860 430264939 /nfs/dbraw/zinc/26/49/39/430264939.db2.gz PZCTVEWXFQENCE-INIZCTEOSA-N 2 0 320.477 2.817 20 0 DFADRP Fc1ccccc1N1CC[C@@H]([NH2+]C2CC[NH+](CC3CC3)CC2)C1 ZINC000565751858 430225419 /nfs/dbraw/zinc/22/54/19/430225419.db2.gz CRCQMAOLVLOBPL-QGZVFWFLSA-N 2 0 317.452 2.868 20 0 DFADRP CC[NH+](CC)[C@H](CNC(=O)C[C@@H]1CC[N@H+](C)C1)c1ccccc1 ZINC000635189065 430226181 /nfs/dbraw/zinc/22/61/81/430226181.db2.gz OKWIOHUXLCJWNF-FUHWJXTLSA-N 2 0 317.477 2.528 20 0 DFADRP [NH3+][C@@H]1CCC[C@@H]([NH2+][C@@H]2c3ccccc3CC23CCOCC3)C1 ZINC000581618230 430226407 /nfs/dbraw/zinc/22/64/07/430226407.db2.gz VFDCECDFBCLRLA-JFIYKMOQSA-N 2 0 300.446 2.940 20 0 DFADRP CC(C)CC[C@@H]([NH3+])C(=O)NCc1cccc(C[N@H+](C)C(C)C)c1 ZINC000638080041 430228168 /nfs/dbraw/zinc/22/81/68/430228168.db2.gz SALINUIOIJOUEK-GOSISDBHSA-N 2 0 319.493 2.907 20 0 DFADRP CC(C)CC[C@H]([NH3+])C(=O)NCc1cccc(C[N@H+](C)C(C)C)c1 ZINC000638080043 430228506 /nfs/dbraw/zinc/22/85/06/430228506.db2.gz SALINUIOIJOUEK-SFHVURJKSA-N 2 0 319.493 2.907 20 0 DFADRP CC(C)CC[C@@H]([NH3+])C(=O)N1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000638086962 430230547 /nfs/dbraw/zinc/23/05/47/430230547.db2.gz YASNSIYSGGKGFA-QZTJIDSGSA-N 2 0 323.525 2.720 20 0 DFADRP Cc1cc(C[NH3+])oc1C(=O)NCC(C)(C)[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000638084652 430231046 /nfs/dbraw/zinc/23/10/46/430231046.db2.gz UHWPGSZVXZHYOU-STQMWFEESA-N 2 0 321.465 2.533 20 0 DFADRP Cn1nc2c(c1CN1CCC[C@H]([NH+]3CCCC3)CC1)CCCC2 ZINC000638105216 430237322 /nfs/dbraw/zinc/23/73/22/430237322.db2.gz QFBYHZAFSFSKST-INIZCTEOSA-N 2 0 316.493 2.749 20 0 DFADRP CC(C)CC[C@@H]([NH3+])C(=O)Nc1cccc(OCCC[NH+](C)C)c1 ZINC000638112660 430238854 /nfs/dbraw/zinc/23/88/54/430238854.db2.gz JQMKDWKYZGSTTQ-QGZVFWFLSA-N 2 0 321.465 2.719 20 0 DFADRP COc1ccc(C[C@@H](C)[NH2+]CCC[NH2+]C(C)C)c(C)c1OC ZINC000582295236 430286476 /nfs/dbraw/zinc/28/64/76/430286476.db2.gz KYFGVLHTJLRGBE-CQSZACIVSA-N 2 0 308.466 2.921 20 0 DFADRP CC(C)C[C@H](CNC(=O)[C@H](C)[C@H](C)[NH3+])[NH2+][C@@H](C)c1ccccc1 ZINC000567802239 430289903 /nfs/dbraw/zinc/28/99/03/430289903.db2.gz ODCBAOSRARWMLU-MUQADHOPSA-N 2 0 319.493 2.851 20 0 DFADRP CCC[C@@H](C[NH2+]Cc1ccc(C[NH+]2CCC(O)CC2)cc1)OC ZINC000638272732 430290641 /nfs/dbraw/zinc/29/06/41/430290641.db2.gz BELPHPURNOASSR-IBGZPJMESA-N 2 0 320.477 2.548 20 0 DFADRP CC[N@H+](CCC1CC[NH+](C[C@@]2(OC)CCOC2)CC1)CC1CC1 ZINC000638277030 430291663 /nfs/dbraw/zinc/29/16/63/430291663.db2.gz XASNHVSKEVURQF-IBGZPJMESA-N 2 0 324.509 2.626 20 0 DFADRP Cc1ccc(OCC[NH2+]C2CC[NH+](CC(C)(C)O)CC2)c(C)c1 ZINC000638305081 430299488 /nfs/dbraw/zinc/29/94/88/430299488.db2.gz POUXCUPASWIOOI-UHFFFAOYSA-N 2 0 320.477 2.507 20 0 DFADRP C[N@H+](CC(=O)NCCCCC[NH+]1CCCCC1)CC(C)(C)C ZINC000635547439 430303817 /nfs/dbraw/zinc/30/38/17/430303817.db2.gz HSCMLWAMBGCHFC-UHFFFAOYSA-N 2 0 311.514 2.737 20 0 DFADRP CC[NH+]1CCN([C@@H](C)C[NH2+]Cc2ccc(C)cc2Cl)CC1 ZINC000568030190 430307685 /nfs/dbraw/zinc/30/76/85/430307685.db2.gz LUYJCSLDPBZHOX-HNNXBMFYSA-N 2 0 309.885 2.764 20 0 DFADRP CC(C)c1[nH+]c(CN2C[C@@H](C)[C@H]([NH+](C)C)C2)c2ccccn21 ZINC000568033637 430309379 /nfs/dbraw/zinc/30/93/79/430309379.db2.gz UOHHIRGQHUQRSG-RHSMWYFYSA-N 2 0 300.450 2.840 20 0 DFADRP Cc1cc(C)c(NC(=O)[C@H](C)[NH+]2CCC(CC[NH3+])CC2)c(C)c1 ZINC000568056996 430310316 /nfs/dbraw/zinc/31/03/16/430310316.db2.gz KMFKXYKMPICZHH-INIZCTEOSA-N 2 0 317.477 3.000 20 0 DFADRP CCC(CC)[C@H](C[NH2+][C@H](C)C[C@H]1CCCC(=O)N1)[NH+]1CCCC1 ZINC000638349967 430312071 /nfs/dbraw/zinc/31/20/71/430312071.db2.gz XPERVCOPUGEIBC-NXHRZFHOSA-N 2 0 323.525 2.924 20 0 DFADRP C[C@@H]1C[C@@H]([NH3+])CC[N@@H+]1Cc1ccc(OCc2ccccn2)cc1 ZINC000568103738 430319363 /nfs/dbraw/zinc/31/93/63/430319363.db2.gz IYPFJCPNGVSHIV-WBVHZDCISA-N 2 0 311.429 2.972 20 0 DFADRP Cc1ccccc1C[C@H](C)[NH2+]C1CC[NH+](CC(C)(C)O)CC1 ZINC000638387023 430325595 /nfs/dbraw/zinc/32/55/95/430325595.db2.gz XJPSJTWYEBHXSS-INIZCTEOSA-N 2 0 304.478 2.751 20 0 DFADRP COc1cc2c(cc1C[NH2+]CCC[C@@H]1CCC[NH2+]1)O[C@H](C)C2 ZINC000582713716 430326919 /nfs/dbraw/zinc/32/69/19/430326919.db2.gz NYEXPORBVRTDBJ-CZUORRHYSA-N 2 0 304.434 2.640 20 0 DFADRP C[C@H]([NH3+])CC(=O)Nc1ccc(SCC[NH+]2CCCC2)cc1 ZINC000638389752 430326939 /nfs/dbraw/zinc/32/69/39/430326939.db2.gz IQKDWNWWMRIQKB-ZDUSSCGKSA-N 2 0 307.463 2.550 20 0 DFADRP C[C@H](CO)[NH2+]C[C@@]1(C(C)(C)C)CC[N@H+](Cc2ccccc2)C1 ZINC000638411608 430332831 /nfs/dbraw/zinc/33/28/31/430332831.db2.gz CSNHNOLLYNMCJV-APWZRJJASA-N 2 0 304.478 2.895 20 0 DFADRP CC[N@@H+]1CCC[C@H](CNCc2cc(OC)c(O)cc2Cl)C1 ZINC000638450356 430345742 /nfs/dbraw/zinc/34/57/42/430345742.db2.gz NQIJRMXGJRIYGB-GFCCVEGCSA-N 2 0 312.841 2.876 20 0 DFADRP C[NH+](C)CCCC[NH2+]Cc1c(C(F)(F)F)nc2n1CCCC2 ZINC000638452151 430346734 /nfs/dbraw/zinc/34/67/34/430346734.db2.gz VKASPWDUBSQYRN-UHFFFAOYSA-N 2 0 318.387 2.670 20 0 DFADRP CC[N@@H+]1CCC[C@@H](CNCc2ccccc2OCCCCO)C1 ZINC000638451946 430347148 /nfs/dbraw/zinc/34/71/48/430347148.db2.gz SGAZBHACYKHZMD-KRWDZBQOSA-N 2 0 320.477 2.659 20 0 DFADRP CCOc1cccc([C@@H](C)[NH2+]C2CC[NH+](CC(C)(C)O)CC2)c1 ZINC000638456553 430348351 /nfs/dbraw/zinc/34/83/51/430348351.db2.gz DBTVOYVEUDQRJH-OAHLLOKOSA-N 2 0 320.477 2.971 20 0 DFADRP C[NH+](C)Cc1ccc(C(=O)Nc2cccc3c2CC[NH2+]C3)cc1 ZINC000568982915 430411556 /nfs/dbraw/zinc/41/15/56/430411556.db2.gz VLVOBLREBHDLJQ-UHFFFAOYSA-N 2 0 309.413 2.646 20 0 DFADRP Cc1ccc(CC[NH2+][C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)cn1 ZINC000568988718 430412044 /nfs/dbraw/zinc/41/20/44/430412044.db2.gz DKESKWXJUINANE-QUCCMNQESA-N 2 0 323.440 2.778 20 0 DFADRP CC(C)C[C@@H](CNC(=O)CC[N@H+](C)C1CCCCC1)[NH+](C)C ZINC000547732867 430416901 /nfs/dbraw/zinc/41/69/01/430416901.db2.gz IPPHJXPMFZLRJN-KRWDZBQOSA-N 2 0 311.514 2.734 20 0 DFADRP CC1CC[NH+](C2CCC(NC(=O)[C@@H]3CCCC[N@@H+]3C)CC2)CC1 ZINC000635727190 430359121 /nfs/dbraw/zinc/35/91/21/430359121.db2.gz HZIHRBHJTSPCEK-ABHNRTSZSA-N 2 0 321.509 2.630 20 0 DFADRP c1ccc(CC[N@H+]2CC[C@H](C[NH2+]CCC[C@@H]3CCO3)C2)cc1 ZINC000638522095 430367276 /nfs/dbraw/zinc/36/72/76/430367276.db2.gz XAVLUODCPKGBTJ-RTBURBONSA-N 2 0 302.462 2.710 20 0 DFADRP CC[NH+]1CCN(Cc2ccccc2C[NH2+]CC2(C)CC2)CC1 ZINC000568597544 430373415 /nfs/dbraw/zinc/37/34/15/430373415.db2.gz IETXYGZKJLNTHS-UHFFFAOYSA-N 2 0 301.478 2.714 20 0 DFADRP C[N@H+](CCC(=O)NCc1ccc2c[nH+]cn2c1)C1CCCCC1 ZINC000568722505 430384631 /nfs/dbraw/zinc/38/46/31/430384631.db2.gz BHYSVISFCHVZGO-UHFFFAOYSA-N 2 0 314.433 2.605 20 0 DFADRP C[C@@H]1CCN(CC[NH2+][C@H]2C[C@@H](C)CN(Cc3ccccc3)C2)C1 ZINC000547362836 430387532 /nfs/dbraw/zinc/38/75/32/430387532.db2.gz IDDCYJUNRGNJBB-GGPKGHCWSA-N 2 0 315.505 2.828 20 0 DFADRP CC[NH+]1CCC(C[NH2+][C@@H](C)c2ccc([S@@](C)=O)cc2)CC1 ZINC000569057835 430417870 /nfs/dbraw/zinc/41/78/70/430417870.db2.gz YPDONOJLMLQQAF-LHSJRXKWSA-N 2 0 308.491 2.807 20 0 DFADRP CC(C)(O)C[NH+]1CCC([NH2+]CCOC2CCCCCC2)CC1 ZINC000638610165 430389999 /nfs/dbraw/zinc/38/99/99/430389999.db2.gz UOVJEPBYQJUOSF-UHFFFAOYSA-N 2 0 312.498 2.551 20 0 DFADRP OC[C@@H]1CCC[N@@H+]1Cc1ccccc1C[NH2+][C@@H]1CCC[C@H]2C[C@H]21 ZINC000568770009 430391917 /nfs/dbraw/zinc/39/19/17/430391917.db2.gz ZPTOHBKMNUKPLZ-KCUHQSDYSA-N 2 0 314.473 2.922 20 0 DFADRP OC[C@H]1CCC[N@@H+]1Cc1ccccc1C[NH2+][C@@H]1CCC[C@H]2C[C@H]21 ZINC000568770012 430392061 /nfs/dbraw/zinc/39/20/61/430392061.db2.gz ZPTOHBKMNUKPLZ-YGWPLHOASA-N 2 0 314.473 2.922 20 0 DFADRP CC(C)(C)c1nnc(CN[C@@H]2CC[NH2+][C@@H](c3ccccc3)C2)[nH]1 ZINC000568868790 430400531 /nfs/dbraw/zinc/40/05/31/430400531.db2.gz LBIDYSVBSDVROZ-HUUCEWRRSA-N 2 0 313.449 2.685 20 0 DFADRP CC[N@@H+]1CCCC[C@H]1C(=O)N(C)CCCC[NH+]1CCCCC1 ZINC000641661476 430437309 /nfs/dbraw/zinc/43/73/09/430437309.db2.gz NEUPLPNWKJAIAT-KRWDZBQOSA-N 2 0 309.498 2.585 20 0 DFADRP C[NH+](C)[C@@H]1CCCN(C(=O)CC[N@H+](C)C2CCCCC2)CC1 ZINC000548064017 430443949 /nfs/dbraw/zinc/44/39/49/430443949.db2.gz BRBDFGUDWKBBAF-MRXNPFEDSA-N 2 0 309.498 2.584 20 0 DFADRP CO[C@@H](C[NH2+]CC1CCN(c2cc[nH+]cc2)CC1)CC(C)C ZINC000638837064 430449523 /nfs/dbraw/zinc/44/95/23/430449523.db2.gz NZDAGJSRURZZGM-GOSISDBHSA-N 2 0 305.466 2.949 20 0 DFADRP CCN(C)C[C@H](O)C[N@H+](C)[C@H]1CCC[C@H]1c1ccc(C)cc1 ZINC000569469254 430457153 /nfs/dbraw/zinc/45/71/53/430457153.db2.gz RUJRFQUXAGPMAH-FHWLQOOXSA-N 2 0 304.478 2.876 20 0 DFADRP CC[NH+](CC)Cc1ccc(C(=O)N[C@@H]2C[C@@H]([NH+](C)C)C2(C)C)o1 ZINC000636086771 430457307 /nfs/dbraw/zinc/45/73/07/430457307.db2.gz AOEGIAZZAXVQGY-HZPDHXFCSA-N 2 0 321.465 2.580 20 0 DFADRP Cc1ccccc1C[NH+]1CCC(N[C@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000584063985 430457612 /nfs/dbraw/zinc/45/76/12/430457612.db2.gz KKMHNGBKZGONMB-HKUYNNGSSA-N 2 0 301.478 2.819 20 0 DFADRP CC1CC[NH+](C2CCC([NH2+]Cc3ccncc3N)CC2)CC1 ZINC000641742553 430459296 /nfs/dbraw/zinc/45/92/96/430459296.db2.gz NVUHWIULDVRECL-UHFFFAOYSA-N 2 0 302.466 2.797 20 0 DFADRP OCCCN1CCC[C@H]1C[NH2+][C@H]1CCc2c1cccc2Cl ZINC000584154790 430463815 /nfs/dbraw/zinc/46/38/15/430463815.db2.gz CKJFZHMRRRLMNE-GUYCJALGSA-N 2 0 308.853 2.764 20 0 DFADRP Cc1ncncc1[C@@H](C)[NH2+]Cc1ccc(OCC[NH+](C)C)cc1 ZINC000584182417 430468008 /nfs/dbraw/zinc/46/80/08/430468008.db2.gz AFICPLYHPHAGNK-CQSZACIVSA-N 2 0 314.433 2.576 20 0 DFADRP C[C@@H](CN1CC[NH+](C)CC1)[NH2+][C@H](c1ccccc1)C1CCC1 ZINC000641774077 430468518 /nfs/dbraw/zinc/46/85/18/430468518.db2.gz BLBRQHNVQWIVCE-QFBILLFUSA-N 2 0 301.478 2.753 20 0 DFADRP CSc1ccc(C[NH2+]CC2CC[NH+](C3CCOCC3)CC2)o1 ZINC000641772113 430468767 /nfs/dbraw/zinc/46/87/67/430468767.db2.gz KYGAPVHZMZITBF-UHFFFAOYSA-N 2 0 324.490 2.982 20 0 DFADRP CC(C)Cn1ccnc1CNC(=O)CC[N@H+](C)C1CCCCC1 ZINC000548389573 430469875 /nfs/dbraw/zinc/46/98/75/430469875.db2.gz LGAXNGOYWUSGRN-UHFFFAOYSA-N 2 0 320.481 2.810 20 0 DFADRP CSc1ccc(CNc2cc(N3CC[NH+](C)CC3)cc[nH+]2)o1 ZINC000641776354 430470923 /nfs/dbraw/zinc/47/09/23/430470923.db2.gz OHELSFQEOTXHES-UHFFFAOYSA-N 2 0 318.446 2.760 20 0 DFADRP [NH3+]C[C@H]1CC[C@H](NC(=O)CC[C@@H]([NH3+])CC2CCCCC2)CC1 ZINC000638950990 430481885 /nfs/dbraw/zinc/48/18/85/430481885.db2.gz WEILXBZSCGZJHA-BRWVUGGUSA-N 2 0 309.498 2.698 20 0 DFADRP CC1(C)[C@H]([NH3+])C[C@H]1[NH2+]Cc1ccc(OCC(F)(F)F)cc1 ZINC000641803532 430475764 /nfs/dbraw/zinc/47/57/64/430475764.db2.gz SPUZCKGDCAHSBZ-CHWSQXEVSA-N 2 0 302.340 2.843 20 0 DFADRP CC1(C)[C@H]([NH3+])C[C@H]1[NH2+]Cc1ccc(OCc2ccncc2)cc1 ZINC000641801186 430476181 /nfs/dbraw/zinc/47/61/81/430476181.db2.gz AXEBSCZCHDURNQ-QZTJIDSGSA-N 2 0 311.429 2.876 20 0 DFADRP CCCc1nc(C)c(C[NH+]2CCC([C@@H]3OCCC[C@@H]3[NH3+])CC2)o1 ZINC000641799860 430476827 /nfs/dbraw/zinc/47/68/27/430476827.db2.gz RPILREJRNHJBSH-YJBOKZPZSA-N 2 0 321.465 2.654 20 0 DFADRP CO[C@H](C[NH2+]CC[C@H](C)[N@H+](C)Cc1ccccc1)[C@H]1CCOC1 ZINC000638725670 430418823 /nfs/dbraw/zinc/41/88/23/430418823.db2.gz HEIRFMXWRIYNLX-YTQUADARSA-N 2 0 320.477 2.538 20 0 DFADRP CC(C)[NH+]1CCC(O)(C[NH2+]C[C@@H]2CCc3ccccc3C2)CC1 ZINC000638737054 430420825 /nfs/dbraw/zinc/42/08/25/430420825.db2.gz CQOSXGZGKAZDAA-QGZVFWFLSA-N 2 0 316.489 2.616 20 0 DFADRP CCO[C@@H]1C[C@@H]([NH2+]CCC[NH+](C(C)C)C(C)C)[C@]12CCCO2 ZINC000638735510 430421524 /nfs/dbraw/zinc/42/15/24/430421524.db2.gz OHVXSPPAKSSVQF-KZNAEPCWSA-N 2 0 312.498 2.812 20 0 DFADRP CO[C@H](C[NH2+]C1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)C1CCCC1 ZINC000638749873 430424694 /nfs/dbraw/zinc/42/46/94/430424694.db2.gz MBQAGWLRMCMVSX-CEXWTWQISA-N 2 0 324.509 2.549 20 0 DFADRP C[C@H](CCCC(F)(F)F)[NH2+]CCCC[NH+]1CCN(C)CC1 ZINC000547828542 430425451 /nfs/dbraw/zinc/42/54/51/430425451.db2.gz ZUDLWGDVPCMURG-CQSZACIVSA-N 2 0 309.420 2.725 20 0 DFADRP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+]Cc1ccc([C@@H](C)[NH3+])cc1 ZINC000569200178 430431337 /nfs/dbraw/zinc/43/13/37/430431337.db2.gz UOYPBUJWHVHWNV-CQSZACIVSA-N 3 0 321.428 2.885 20 0 DFADRP CC(C)[NH+](CCCC[N@@H+](C(C)C)[C@H]1CCOC1)[C@@H]1CCOC1 ZINC000569755220 430483481 /nfs/dbraw/zinc/48/34/81/430483481.db2.gz VQNMWASAHWKYSE-HDICACEKSA-N 2 0 312.498 2.765 20 0 DFADRP CC(C)[NH+](CCCC[N@@H+](C(C)C)[C@@H]1CCOC1)[C@@H]1CCOC1 ZINC000569755221 430483635 /nfs/dbraw/zinc/48/36/35/430483635.db2.gz VQNMWASAHWKYSE-QZTJIDSGSA-N 2 0 312.498 2.765 20 0 DFADRP C[C@H](C[C@@H]1CCCC(=O)N1)[NH2+][C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000638969363 430483973 /nfs/dbraw/zinc/48/39/73/430483973.db2.gz GKTWMSFVAORVBW-QZWWFDLISA-N 2 0 321.509 2.676 20 0 DFADRP CCC1([NH+](C)C)CCN(C(=O)[C@H]([NH3+])c2cccc(Cl)c2)CC1 ZINC000638974595 430485169 /nfs/dbraw/zinc/48/51/69/430485169.db2.gz AVDKPBMFUYYFNX-OAHLLOKOSA-N 2 0 323.868 2.673 20 0 DFADRP CCC1([NH+](C)C)CCN(C(=O)[C@@H]([NH3+])CC2CCCCC2)CC1 ZINC000638979563 430487408 /nfs/dbraw/zinc/48/74/08/430487408.db2.gz FKKJULJMJOTWDK-INIZCTEOSA-N 2 0 309.498 2.617 20 0 DFADRP CC1=CC[C@@](C)(C(=O)Nc2cc(N3CC[NH2+]CC3)cc[nH+]2)CC1 ZINC000638985991 430488387 /nfs/dbraw/zinc/48/83/87/430488387.db2.gz QYFBTKXEOBVBQU-GOSISDBHSA-N 2 0 314.433 2.566 20 0 DFADRP C[C@@H]1CC[N@H+](CCN[C@@H]2CC[NH+](C)[C@@H](c3ccccc3)C2)C1 ZINC000569832402 430490817 /nfs/dbraw/zinc/49/08/17/430490817.db2.gz YAGKELRFMASNDV-BHIYHBOVSA-N 2 0 301.478 2.753 20 0 DFADRP CC[N@@H+]1C[C@@H](C)N(C(=O)CC[NH+](C)C2CCCCC2)C[C@@H]1C ZINC000548721256 430495317 /nfs/dbraw/zinc/49/53/17/430495317.db2.gz LBKMTCIACUPXIM-JKSUJKDBSA-N 2 0 309.498 2.582 20 0 DFADRP c1cc(N2CCC(C[NH2+][C@@H]3CCC34CCOCC4)CC2)cc[nH+]1 ZINC000548793511 430500768 /nfs/dbraw/zinc/50/07/68/430500768.db2.gz FOWLBWYVKNAHDV-GOSISDBHSA-N 2 0 315.461 2.847 20 0 DFADRP [NH3+]C[C@H]1CCN(C(=O)C[C@H]2[NH2+]Cc3ccccc32)c2ccccc21 ZINC000639064990 430509726 /nfs/dbraw/zinc/50/97/26/430509726.db2.gz NHTVTZNSYJEUBK-RDTXWAMCSA-N 2 0 321.424 2.700 20 0 DFADRP [NH3+]C[C@H]1CCN(C(=O)C[C@H]([NH3+])c2ccccc2)c2ccccc21 ZINC000639067653 430511056 /nfs/dbraw/zinc/51/10/56/430511056.db2.gz KFUYZQFCAHSULZ-WBVHZDCISA-N 2 0 309.413 2.556 20 0 DFADRP C[C@H](C(=O)N1CC[C@H](C[NH3+])c2ccccc21)[NH+]1CCCCCC1 ZINC000639067676 430511339 /nfs/dbraw/zinc/51/13/39/430511339.db2.gz KTWBXLGTFBLFKO-HZPDHXFCSA-N 2 0 315.461 2.730 20 0 DFADRP CC(C)[C@@H](CC(F)(F)F)[NH2+]C1CC[NH+](CC(C)(C)O)CC1 ZINC000639088280 430518854 /nfs/dbraw/zinc/51/88/54/430518854.db2.gz FMLVOAPGZLEDOZ-CYBMUJFWSA-N 2 0 310.404 2.788 20 0 DFADRP CC[NH2+]CCC[NH2+][C@H]1CC[C@@H](C(=O)OCC)c2ccccc21 ZINC000570200201 430521497 /nfs/dbraw/zinc/52/14/97/430521497.db2.gz REBJUVRNDCKYRY-SJORKVTESA-N 2 0 304.434 2.757 20 0 DFADRP c1ccc(N2CC[C@H](C[NH2+]CC3CC[NH+](C4CC4)CC3)C2)cc1 ZINC000639108988 430528493 /nfs/dbraw/zinc/52/84/93/430528493.db2.gz OKKMBMLZULTPSL-GOSISDBHSA-N 2 0 313.489 2.977 20 0 DFADRP C[N@@H+]1CCCC[C@H]1CN1CC[NH+]([C@@H]2C=CCCCCC2)CC1 ZINC000549822690 430533197 /nfs/dbraw/zinc/53/31/97/430533197.db2.gz WNGNOAIPVXJVEY-MOPGFXCFSA-N 2 0 305.510 2.977 20 0 DFADRP CO[C@H](C[NH2+]CCC[N@@H+]1CCCO[C@H](C)C1)C1CCCCC1 ZINC000639125259 430533566 /nfs/dbraw/zinc/53/35/66/430533566.db2.gz YYSVINWUIPQWIS-SJLPKXTDSA-N 2 0 312.498 2.672 20 0 DFADRP C[C@H](C[C@H]1CCCC(=O)N1)[NH2+]C[C@@H]1CCC[N@@H+]1C1CCCCC1 ZINC000639133001 430536914 /nfs/dbraw/zinc/53/69/14/430536914.db2.gz FZXYALXXNRKXGI-NUJGCVRESA-N 2 0 321.509 2.820 20 0 DFADRP O=C(CCN[C@H]1CC[N@@H+]2CCCC[C@@H]12)Nc1cccc(Cl)c1 ZINC000570391240 430539973 /nfs/dbraw/zinc/53/99/73/430539973.db2.gz PLHSMIZOOAFJEG-HOTGVXAUSA-N 2 0 321.852 2.885 20 0 DFADRP C[C@H]1CC[N@H+](Cc2cccc(CN3CCOCC3)c2)C[C@@H]1F ZINC000643251824 430566972 /nfs/dbraw/zinc/56/69/72/430566972.db2.gz FXKFJUFCXXSVGN-YJBOKZPZSA-N 2 0 306.425 2.699 20 0 DFADRP C[C@H]1CC[N@H+](Cc2ccc(CN3CCOCC3)cc2)C[C@@H]1F ZINC000643251817 430567105 /nfs/dbraw/zinc/56/71/05/430567105.db2.gz CGJHVFTWZVZPSZ-YJBOKZPZSA-N 2 0 306.425 2.699 20 0 DFADRP CC(C)(O)C[NH+]1CCC([NH2+]CC[C@@H]2CCc3ccccc32)CC1 ZINC000639216031 430575707 /nfs/dbraw/zinc/57/57/07/430575707.db2.gz AKNFHRLVISBQKB-KRWDZBQOSA-N 2 0 316.489 2.931 20 0 DFADRP CC(C)c1nn(C)c(N(C)C)c1C[NH2+]C1CCC([NH+](C)C)CC1 ZINC000643296054 430576078 /nfs/dbraw/zinc/57/60/78/430576078.db2.gz BDGRAQLMHXYJNE-UHFFFAOYSA-N 2 0 321.513 2.572 20 0 DFADRP CC[NH+](CC)[C@@H](C(=O)N(C)[C@@H]1CCC[NH2+]CC1)c1ccccc1 ZINC000570804874 430578212 /nfs/dbraw/zinc/57/82/12/430578212.db2.gz FSVWYMHKHDVIKF-QZTJIDSGSA-N 2 0 317.477 2.670 20 0 DFADRP [NH3+]C[C@@H]1CCC[C@H]1[NH2+]C[C@H]1CCN(c2ccc(F)c(F)c2)C1 ZINC000643453176 430601896 /nfs/dbraw/zinc/60/18/96/430601896.db2.gz LTZXPIMNOOHGKV-IIYDPXPESA-N 2 0 309.404 2.508 20 0 DFADRP c1ccc(CN2CCCO[C@@H](C[NH+]3C4CCC3CC4)C2)cc1 ZINC000570871884 430585644 /nfs/dbraw/zinc/58/56/44/430585644.db2.gz QDAUJALLDWMNHI-CTWPCTMYSA-N 2 0 300.446 2.904 20 0 DFADRP C[C@@H](CCCC[NH3+])[NH2+]C[C@H]1CCN(c2ccc(F)c(F)c2)C1 ZINC000643453251 430602016 /nfs/dbraw/zinc/60/20/16/430602016.db2.gz UCCUULUETVRULI-UONOGXRCSA-N 2 0 311.420 2.898 20 0 DFADRP C[C@H]([NH3+])C[C@H](C)[NH2+][C@H]1CCN(c2ccc(C(F)(F)F)cc2)C1 ZINC000643455368 430602318 /nfs/dbraw/zinc/60/23/18/430602318.db2.gz AJGCDVSPDWZHBZ-OBJOEFQTSA-N 2 0 315.383 3.000 20 0 DFADRP Cc1ccc(Cl)cc1NC(=O)C[C@H](C)[NH2+]CC1=CC[NH2+]CC1 ZINC000571037974 430598037 /nfs/dbraw/zinc/59/80/37/430598037.db2.gz WLDHZOKCCYRKEL-ZDUSSCGKSA-N 2 0 321.852 2.875 20 0 DFADRP CC[NH+]1CCC(C[NH2+][C@H]2CCN[C@H](c3ccccc3)C2)CC1 ZINC000643453684 430602512 /nfs/dbraw/zinc/60/25/12/430602512.db2.gz RJZBNOXIWFLRIL-OALUTQOASA-N 2 0 301.478 2.801 20 0 DFADRP CO[C@@H](C[NH2+]Cc1ccc(OC2CC[NH+](C)CC2)cc1)C1CC1 ZINC000639149478 430545441 /nfs/dbraw/zinc/54/54/41/430545441.db2.gz PWQIVHVSLXOTKQ-IBGZPJMESA-N 2 0 318.461 2.674 20 0 DFADRP COc1ccc(C2([NH2+]CC[C@@H]3CCC[NH2+]C3)CCOCC2)cc1 ZINC000643058517 430545668 /nfs/dbraw/zinc/54/56/68/430545668.db2.gz NMKHROJGBCQKIT-INIZCTEOSA-N 2 0 318.461 2.680 20 0 DFADRP O=C(CC1CC[NH+](CC[C@H]2CCC[NH2+]C2)CC1)NC1CCCC1 ZINC000643057131 430545965 /nfs/dbraw/zinc/54/59/65/430545965.db2.gz AXDWNFOIVAQSCQ-QGZVFWFLSA-N 2 0 321.509 2.537 20 0 DFADRP Cc1cnc(CC[NH+]2CC[C@H](C[N@H+](C)CC3CC3)C2)c(C)c1 ZINC000571758781 430651220 /nfs/dbraw/zinc/65/12/20/430651220.db2.gz WESYKYWIKUDVAC-GOSISDBHSA-N 2 0 301.478 2.905 20 0 DFADRP C[C@@H]1OCC[C@@H]1C[N@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000639504011 430658407 /nfs/dbraw/zinc/65/84/07/430658407.db2.gz OVYKJEDHHZCDNS-YTQUADARSA-N 2 0 302.462 2.865 20 0 DFADRP Fc1ccc(N2CC[C@@H](C[NH2+][C@H]3CCC[NH2+]CC3)C2)cc1F ZINC000643453137 430602604 /nfs/dbraw/zinc/60/26/04/430602604.db2.gz JJYWIVHZIKKEAB-KBPBESRZSA-N 2 0 309.404 2.523 20 0 DFADRP CO[C@H](C[NH2+]CC1CC[NH+](C2CCOCC2)CC1)CC(C)C ZINC000639302383 430603333 /nfs/dbraw/zinc/60/33/33/430603333.db2.gz DOYWXXCAZRGEBN-SFHVURJKSA-N 2 0 312.498 2.528 20 0 DFADRP FC(F)(F)[C@H]1C[C@H]([NH2+][C@@H]2CC[NH2+]C2)C[C@@H](C(F)(F)F)C1 ZINC000643458703 430604162 /nfs/dbraw/zinc/60/41/62/430604162.db2.gz RRNWXOURPJGJEA-RGOKHQFPSA-N 2 0 304.278 2.847 20 0 DFADRP FC(F)(F)[C@H]1C[C@H]([NH2+][C@H]2CC[NH2+]C2)C[C@@H](C(F)(F)F)C1 ZINC000643458702 430604181 /nfs/dbraw/zinc/60/41/81/430604181.db2.gz RRNWXOURPJGJEA-QCLAVDOMSA-N 2 0 304.278 2.847 20 0 DFADRP C([NH2+]CC1CC[NH+](C2CCOCC2)CC1)C1CCSCC1 ZINC000639304067 430604536 /nfs/dbraw/zinc/60/45/36/430604536.db2.gz WDXRQDPJLIEEAT-UHFFFAOYSA-N 2 0 312.523 2.610 20 0 DFADRP C[NH+](C)[C@H]1C[C@@H](C[NH2+]Cc2ccc3ccc(F)c(F)c3n2)C1 ZINC000639308185 430604648 /nfs/dbraw/zinc/60/46/48/430604648.db2.gz DQOBVUAFYWEZDE-VDISTLRHSA-N 2 0 305.372 2.943 20 0 DFADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+][C@@H]1CCN(c2ccc(F)cc2F)C1 ZINC000643462706 430604952 /nfs/dbraw/zinc/60/49/52/430604952.db2.gz BLEDJBFXAOOBEP-XPKDYRNWSA-N 2 0 309.404 2.521 20 0 DFADRP C[C@H]1C[C@@H]([NH2+]CC2CC[NH+](Cc3ccncc3)CC2)CS1 ZINC000639312210 430606049 /nfs/dbraw/zinc/60/60/49/430606049.db2.gz SWKCKDCINCFSAX-WMLDXEAASA-N 2 0 305.491 2.777 20 0 DFADRP OCc1ccc(CC[NH2+][C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)cc1 ZINC000643478190 430606594 /nfs/dbraw/zinc/60/65/94/430606594.db2.gz BCLKZDJJKNKDSK-IPMKNSEASA-N 2 0 302.462 2.622 20 0 DFADRP COc1nc(C)cc(C)c1C[NH2+][C@H](C)c1ccc(C[NH3+])nc1C ZINC000643472494 430606832 /nfs/dbraw/zinc/60/68/32/430606832.db2.gz HHIGMLJFFJPVKG-CYBMUJFWSA-N 2 0 314.433 2.720 20 0 DFADRP CC(C)[C@H](C[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1)c1ccnn1C ZINC000643484290 430607232 /nfs/dbraw/zinc/60/72/32/430607232.db2.gz PXPKCWYBOBWOFK-LUKYLMHMSA-N 2 0 304.482 2.670 20 0 DFADRP COc1ccc(OC)c(CCC[NH2+][C@H](C)[C@@H]2CCC[NH2+]C2)c1 ZINC000643476595 430607726 /nfs/dbraw/zinc/60/77/26/430607726.db2.gz VQULVKRHVGASPL-GDBMZVCRSA-N 2 0 306.450 2.614 20 0 DFADRP CC(C)[C@H](C[NH2+][C@H](Cc1ccccc1)[C@H](C)[NH3+])c1ccnn1C ZINC000643484273 430607732 /nfs/dbraw/zinc/60/77/32/430607732.db2.gz MTSGBZWQMWFETE-RYQLBKOJSA-N 2 0 314.477 2.708 20 0 DFADRP Cn1ccc([C@H]([NH2+]CC2CC[NH2+]CC2)c2ccc(Cl)cc2)n1 ZINC000643497457 430609154 /nfs/dbraw/zinc/60/91/54/430609154.db2.gz VMDDDYKXCQYXEA-QGZVFWFLSA-N 2 0 318.852 2.752 20 0 DFADRP c1ccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@@H](NC[C@@H]2CCCC[NH2+]2)C3)cc1 ZINC000643501545 430609933 /nfs/dbraw/zinc/60/99/33/430609933.db2.gz KEPMNBFZRASDOG-HAGHYFMRSA-N 2 0 313.489 2.914 20 0 DFADRP CC(C)[C@@H](NC(=O)C[NH+]1CCC(CC[NH3+])CC1)c1ccccc1 ZINC000571172307 430610238 /nfs/dbraw/zinc/61/02/38/430610238.db2.gz ULJQDBAULQGPMB-LJQANCHMSA-N 2 0 317.477 2.561 20 0 DFADRP CCC[C@H]([NH2+][C@@H]1CCC(=O)N[C@H]1c1cncn1C)[C@H]1CC1(C)C ZINC000571178763 430610620 /nfs/dbraw/zinc/61/06/20/430610620.db2.gz OTYNQCKNQOFBKZ-UMPJEAMMSA-N 2 0 318.465 2.544 20 0 DFADRP c1ccc(C[N@H+]2C[C@@H]3CCC[C@H](NCC[NH2+]C4CC4)[C@H]3C2)cc1 ZINC000643507515 430611879 /nfs/dbraw/zinc/61/18/79/430611879.db2.gz HBLFZTJBEOUJHF-IHPCNDPISA-N 2 0 313.489 2.629 20 0 DFADRP CC[C@@H]([NH2+][C@H]1CC12CC[NH2+]CC2)c1ccc(OC)c(OC)c1 ZINC000643534026 430612852 /nfs/dbraw/zinc/61/28/52/430612852.db2.gz JWRRKBMMQQNYSV-PBHICJAKSA-N 2 0 304.434 2.887 20 0 DFADRP C[C@H]([NH2+][C@H]1CC12CC[NH2+]CC2)c1nc(C(F)(F)F)cs1 ZINC000643534869 430613067 /nfs/dbraw/zinc/61/30/67/430613067.db2.gz DYSATQDCJFEIEM-IUCAKERBSA-N 2 0 305.369 2.955 20 0 DFADRP COCC1(C[NH2+][C@@H]2CCc3c2cc(F)cc3F)CC[NH2+]CC1 ZINC000643530912 430613127 /nfs/dbraw/zinc/61/31/27/430613127.db2.gz WBMPQIUTTMNUTN-MRXNPFEDSA-N 2 0 310.388 2.558 20 0 DFADRP COCCOc1ccc([C@@H](C)[NH2+][C@H]2CC23CC[NH2+]CC3)cc1 ZINC000643534542 430613155 /nfs/dbraw/zinc/61/31/55/430613155.db2.gz XPCUTSMRKNVZHG-PBHICJAKSA-N 2 0 304.434 2.505 20 0 DFADRP CC[C@@H]([NH2+][C@H]1CC12CC[NH2+]CC2)c1ccc2c(c1)OCCO2 ZINC000643534259 430613315 /nfs/dbraw/zinc/61/33/15/430613315.db2.gz PBYQSEFQTRXYBH-PBHICJAKSA-N 2 0 302.418 2.641 20 0 DFADRP c1c2c(nn1-c1ccccc1)CCC[C@@H]2[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000643522972 430613384 /nfs/dbraw/zinc/61/33/84/430613384.db2.gz VGMHRDHOTRUXGC-QAPCUYQASA-N 2 0 310.445 2.981 20 0 DFADRP C[C@@H](CCCCO)[NH2+]C[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC000643541208 430613937 /nfs/dbraw/zinc/61/39/37/430613937.db2.gz SJXPYPURSXFORL-QILLFSRXSA-N 2 0 308.441 2.660 20 0 DFADRP CCc1cccc(C[NH2+]Cc2ccc(N3CC[NH+](C)CC3)nc2)c1 ZINC000571225323 430614782 /nfs/dbraw/zinc/61/47/82/430614782.db2.gz RYIWDZCFBLJLHO-UHFFFAOYSA-N 2 0 324.472 2.686 20 0 DFADRP C[C@@H]([NH2+][C@@H]1CC12CC[NH2+]CC2)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000643536297 430614813 /nfs/dbraw/zinc/61/48/13/430614813.db2.gz SQINPVWTJTZGGZ-MLGOLLRUSA-N 2 0 313.445 2.709 20 0 DFADRP c1c2c(nn1-c1ccccc1)CCC[C@H]2[NH2+][C@H]1CC12CC[NH2+]CC2 ZINC000643536665 430614879 /nfs/dbraw/zinc/61/48/79/430614879.db2.gz UJKAUXKJCDRVLY-MJGOQNOKSA-N 2 0 322.456 2.981 20 0 DFADRP C[C@@H](CC(=O)N(C)c1ccccc1)[NH2+][C@H]1CC[NH2+]C2(CCC2)C1 ZINC000643546678 430615654 /nfs/dbraw/zinc/61/56/54/430615654.db2.gz SQSQMFQJGAIRMG-HOTGVXAUSA-N 2 0 315.461 2.692 20 0 DFADRP NC1(C[NH2+]C(C2CC2)C2CC2)CC[NH+](Cc2ccccc2)CC1 ZINC000643544679 430615830 /nfs/dbraw/zinc/61/58/30/430615830.db2.gz WGJIOIBNGQMKFE-UHFFFAOYSA-N 2 0 313.489 2.758 20 0 DFADRP O=C(Nc1cccc(C[NH2+][C@@H]2CCC[NH2+]CC2)c1)C1CCC1 ZINC000571265681 430615897 /nfs/dbraw/zinc/61/58/97/430615897.db2.gz BSFOVZLOLMPUMV-MRXNPFEDSA-N 2 0 301.434 2.657 20 0 DFADRP C[C@@H]([NH2+][C@H]1CC[NH2+]C2(CCC2)C1)c1ccc(-n2cncn2)cc1 ZINC000643545891 430615918 /nfs/dbraw/zinc/61/59/18/430615918.db2.gz DXIJZQMCKNFYGS-ZBFHGGJFSA-N 2 0 311.433 2.593 20 0 DFADRP C[C@H]([NH2+][C@@H]1CC[NH2+]C2(CCC2)C1)c1ccc(-n2cncn2)cc1 ZINC000643545889 430616133 /nfs/dbraw/zinc/61/61/33/430616133.db2.gz DXIJZQMCKNFYGS-GOEBONIOSA-N 2 0 311.433 2.593 20 0 DFADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C[NH2+]C1CC(n2cccn2)C1 ZINC000639358804 430620195 /nfs/dbraw/zinc/62/01/95/430620195.db2.gz DMSFEZDGEWLVBS-HSFDUWRESA-N 2 0 324.472 2.944 20 0 DFADRP C[C@H]([NH2+][C@@H]1CCC[C@@H]1N1CC[C@@H](O)C1)[C@@H]1C[C@H]1c1ccccc1 ZINC000639369870 430623205 /nfs/dbraw/zinc/62/32/05/430623205.db2.gz AWUGORJTCRGMSE-IEKSPZHNSA-N 2 0 314.473 2.756 20 0 DFADRP c1cc(N2CCC([NH2+][C@H](C3CCC3)[C@@H]3CCCO3)CC2)cc[nH+]1 ZINC000639390065 430632061 /nfs/dbraw/zinc/63/20/61/430632061.db2.gz SUPIWGWKGGPFPK-RBUKOAKNSA-N 2 0 315.461 2.988 20 0 DFADRP [NH3+][C@@H]1CCC[C@@H]([NH2+]Cc2cc(Cl)ccc2N2CCOCC2)C1 ZINC000571581188 430638044 /nfs/dbraw/zinc/63/80/44/430638044.db2.gz JYRGGPCEDNWWDB-HZPDHXFCSA-N 2 0 323.868 2.536 20 0 DFADRP CC(C)[N@H+](C)CC1CCN(C(=O)CC[C@H]2CCCC[NH+]2C)CC1 ZINC000554521445 430640298 /nfs/dbraw/zinc/64/02/98/430640298.db2.gz JIGMBVPZOAOZTD-GOSISDBHSA-N 2 0 323.525 2.830 20 0 DFADRP C[NH+]1CCN(Cc2ccc(C[NH2+][C@H]3CCCC34CC4)cc2)CC1 ZINC000571658472 430644507 /nfs/dbraw/zinc/64/45/07/430644507.db2.gz IXXNQNXKDOUUDF-IBGZPJMESA-N 2 0 313.489 2.856 20 0 DFADRP C[C@H]([NH2+]C[C@H](c1ccccc1)C(C)(C)CO)[C@H]1CCC[NH2+]C1 ZINC000572111565 430671925 /nfs/dbraw/zinc/67/19/25/430671925.db2.gz DPBJGGJGRJACFD-RYQLBKOJSA-N 2 0 304.478 2.766 20 0 DFADRP Cc1cccc(NC(=O)C[C@H](C)[NH2+]C[C@H]2CCC[C@@H]([NH3+])C2)c1 ZINC000572112055 430672200 /nfs/dbraw/zinc/67/22/00/430672200.db2.gz BTAURBFAFVSLGB-HRCADAONSA-N 2 0 303.450 2.819 20 0 DFADRP CCCOc1ccc(C[NH2+]CCN2CC[N@H+](C)C(C)(C)C2)cc1 ZINC000572228012 430676606 /nfs/dbraw/zinc/67/66/06/430676606.db2.gz GJKSSCHSALADPN-UHFFFAOYSA-N 2 0 319.493 2.591 20 0 DFADRP Cc1ccc(F)cc1C[N@@H+]1CCC[C@@H](N2CCOCC2)CC1 ZINC000556085707 430678235 /nfs/dbraw/zinc/67/82/35/430678235.db2.gz SWTTVVYTUBRPJP-GOSISDBHSA-N 2 0 306.425 2.821 20 0 DFADRP CC[C@@H]([NH2+]C[C@H]1CCC[N@H+](C)C1)c1ccc(C(=O)OC)cc1 ZINC000556094034 430679319 /nfs/dbraw/zinc/67/93/19/430679319.db2.gz OPALQFZZWXGXBS-RHSMWYFYSA-N 2 0 304.434 2.856 20 0 DFADRP CCC[C@H]1CCCC[C@@H]1[NH2+]CC(=O)NC1CC[NH+](CC)CC1 ZINC000572488978 430688234 /nfs/dbraw/zinc/68/82/34/430688234.db2.gz ODKGMIVAKQXWHK-RDJZCZTQSA-N 2 0 309.498 2.535 20 0 DFADRP CSC1(C[NH2+][C@@H]2CC[N@H+](C[C@H]3CCCO3)C[C@@H]2C)CCC1 ZINC000373896848 278125809 /nfs/dbraw/zinc/12/58/09/278125809.db2.gz HZFQZJCWOFZUGX-ARFHVFGLSA-N 2 0 312.523 2.751 20 0 DFADRP CC(=O)Nc1ccc(C[N@H+]2CCCC3(CC[NH+](C)CC3)C2)cc1 ZINC000375997529 278197151 /nfs/dbraw/zinc/19/71/51/278197151.db2.gz BWZODEMFZSIESB-UHFFFAOYSA-N 2 0 315.461 2.953 20 0 DFADRP C[C@H](C[NH2+][C@@H](C)c1nccc2ccccc21)N1CC[NH+](C)CC1 ZINC000289792850 278208933 /nfs/dbraw/zinc/20/89/33/278208933.db2.gz OLVQINZJNYMLCU-CVEARBPZSA-N 2 0 312.461 2.521 20 0 DFADRP C[C@@H](CCN1CC[NH+](C)CC1)[NH2+][C@H]1CCc2c1c(F)ccc2F ZINC000274569104 278231659 /nfs/dbraw/zinc/23/16/59/278231659.db2.gz AQCRERRLMWVELP-GUYCJALGSA-N 2 0 323.431 2.568 20 0 DFADRP CN1CC[NH+](CCCC[NH2+]C/C=C\c2ccc(F)c(F)c2)CC1 ZINC000556837496 430694064 /nfs/dbraw/zinc/69/40/64/430694064.db2.gz HTEBEUVKHAIAOQ-PLNGDYQASA-N 2 0 323.431 2.595 20 0 DFADRP C[C@H]([NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1)[C@H]1OCCc2sccc21 ZINC000368144926 278274642 /nfs/dbraw/zinc/27/46/42/278274642.db2.gz XLBKOGRKWVBBJQ-QDEZUTFSSA-N 2 0 306.475 2.967 20 0 DFADRP C[C@H](N[C@H]1C[N@@H+](C2CC2)C[C@H]1C)[C@H]1CCC[NH+](C2CCC2)C1 ZINC000358464551 278284574 /nfs/dbraw/zinc/28/45/74/278284574.db2.gz DYIMYPPGYCVZMH-DRMAHVMPSA-N 2 0 305.510 2.712 20 0 DFADRP CCC[NH2+][C@H](C)C(=O)N1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000572767735 430696973 /nfs/dbraw/zinc/69/69/73/430696973.db2.gz KJHXSBAJJHPPRB-DLBZAZTESA-N 2 0 323.525 2.878 20 0 DFADRP C[C@@H]([NH2+]CCCn1cccn1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272652364 278346348 /nfs/dbraw/zinc/34/63/48/278346348.db2.gz KQOVIQXQDHSIMV-MJGOQNOKSA-N 2 0 312.461 2.773 20 0 DFADRP [NH3+]CCCN(CC1CCCC1)C(=O)CC[C@H]([NH3+])c1ccccc1 ZINC000572705382 430695524 /nfs/dbraw/zinc/69/55/24/430695524.db2.gz DZUIWDHFZYBVCU-SFHVURJKSA-N 2 0 317.477 2.834 20 0 DFADRP CC[NH+]1CCC(C[NH2+][C@@H](C)c2ccc3c(c2)CCC(=O)N3)CC1 ZINC000572986111 430699106 /nfs/dbraw/zinc/69/91/06/430699106.db2.gz QHPJIBLLULAGDQ-AWEZNQCLSA-N 2 0 315.461 2.954 20 0 DFADRP [NH3+][C@@H](CCC(=O)N[C@@H]1CC[NH2+]C2(CCC2)C1)CC1CCCCC1 ZINC000648187101 430704170 /nfs/dbraw/zinc/70/41/70/430704170.db2.gz KNAOVGBFDYTWQV-DLBZAZTESA-N 2 0 321.509 2.855 20 0 DFADRP CCOc1ccc(C[NH2+]C2CCN([C@@H]3CCOC3)CC2)c(C)c1 ZINC000657752591 430725421 /nfs/dbraw/zinc/72/54/21/430725421.db2.gz QKLGVNIAQBABOG-GOSISDBHSA-N 2 0 318.461 2.737 20 0 DFADRP C/C(=C/c1ccccc1)C[NH2+]C1CCN([C@@H]2CCOC2)CC1 ZINC000657750998 430725576 /nfs/dbraw/zinc/72/55/76/430725576.db2.gz MOGMRFPLRWXLDA-XCTGESOMSA-N 2 0 300.446 2.933 20 0 DFADRP c1c2ccncc2sc1C[NH2+]C1CCN([C@@H]2CCOC2)CC1 ZINC000657751080 430725971 /nfs/dbraw/zinc/72/59/71/430725971.db2.gz FRBFZBZHWFGYKW-OAHLLOKOSA-N 2 0 317.458 2.639 20 0 DFADRP CO[C@@H](C[NH2+]Cc1ccnn1-c1cc[nH+]cc1)C1CCCC1 ZINC000657768483 430729487 /nfs/dbraw/zinc/72/94/87/430729487.db2.gz NNDVPRWHGWTJTJ-KRWDZBQOSA-N 2 0 300.406 2.562 20 0 DFADRP CN(C)C1(C[NH2+]CCC(=O)Nc2ccccc2F)CCCC1 ZINC000644523094 430742899 /nfs/dbraw/zinc/74/28/99/430742899.db2.gz KMZFJWOYQDCEKP-UHFFFAOYSA-N 2 0 307.413 2.618 20 0 DFADRP O=C(CC[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1)Nc1ccc(Cl)cc1 ZINC000644524095 430744346 /nfs/dbraw/zinc/74/43/46/430744346.db2.gz RIHXYPGRNQCMLQ-CVEARBPZSA-N 2 0 321.852 2.885 20 0 DFADRP O=C(CC[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1)Nc1cccc(Cl)c1 ZINC000644524084 430744691 /nfs/dbraw/zinc/74/46/91/430744691.db2.gz PZSVVLVMSKMVJC-GOEBONIOSA-N 2 0 321.852 2.885 20 0 DFADRP COC[C@H](CC1CCOCC1)[NH2+]CCC[N@@H+]1CCCC[C@@H]1C ZINC000657823839 430746651 /nfs/dbraw/zinc/74/66/51/430746651.db2.gz OTSASIZEZCIVNA-WMZOPIPTSA-N 2 0 312.498 2.672 20 0 DFADRP CC(C)[C@H](C[NH2+][C@H]1[C@@H]2CCC[C@@H]2C1(C)C)N1CC[NH+](C)CC1 ZINC000657831601 430748185 /nfs/dbraw/zinc/74/81/85/430748185.db2.gz CNXOVIRPAMXWNJ-OWSLCNJRSA-N 2 0 307.526 2.673 20 0 DFADRP COC1([C@@H](C)[NH2+]Cc2cccc(OCC[NH+](C)C)c2)CCC1 ZINC000657843506 430750548 /nfs/dbraw/zinc/75/05/48/430750548.db2.gz ZMUGMTRZJHMBKU-OAHLLOKOSA-N 2 0 306.450 2.674 20 0 DFADRP Cc1ccc(OC[C@@H](O)C[NH2+][C@@H](CC[NH+](C)C)C(C)(C)C)cc1 ZINC000644569924 430756186 /nfs/dbraw/zinc/75/61/86/430756186.db2.gz OSBKQTDUIPQDAT-WMZOPIPTSA-N 2 0 322.493 2.691 20 0 DFADRP CC[C@@H](Cc1ccc(Cl)cc1)[NH2+]C[C@@H](C)N1CC[NH+](C)CC1 ZINC000657872356 430756852 /nfs/dbraw/zinc/75/68/52/430756852.db2.gz NGHVCJKNKMAJMU-QAPCUYQASA-N 2 0 323.912 2.887 20 0 DFADRP CCN1C[C@H](C)[C@H]([NH2+]C[C@@H](O)Cc2ccc3ccccc3c2)C1 ZINC000644588611 430761322 /nfs/dbraw/zinc/76/13/22/430761322.db2.gz YKNKKMSLCQNWKK-RYGJVYDSSA-N 2 0 312.457 2.673 20 0 DFADRP FCC1(CF)CC([NH2+]CC2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000657909827 430764886 /nfs/dbraw/zinc/76/48/86/430764886.db2.gz PETDXNLJFRMTRZ-UHFFFAOYSA-N 2 0 309.404 2.975 20 0 DFADRP c1cc2n(n1)CCC[C@@H]2[NH2+]CC1CCN(c2cc[nH+]cc2)CC1 ZINC000657910994 430765571 /nfs/dbraw/zinc/76/55/71/430765571.db2.gz YUXLHTSTLAAJNF-KRWDZBQOSA-N 2 0 311.433 2.619 20 0 DFADRP CC(C)[C@H]1[N@H+](C[C@H](O)CN(C)Cc2ccccc2)CC12CCC2 ZINC000644608577 430767299 /nfs/dbraw/zinc/76/72/99/430767299.db2.gz OVETXTDTZGKMCT-RTBURBONSA-N 2 0 316.489 2.990 20 0 DFADRP C[N@@H+](Cc1cccc(C[NH+]2CCCCC2)c1)C[C@@H]1COCCO1 ZINC000661612814 430772001 /nfs/dbraw/zinc/77/20/01/430772001.db2.gz CSKIFJLBZLHUPJ-LJQANCHMSA-N 2 0 318.461 2.520 20 0 DFADRP CC[NH+](CC)CCOCC[NH2+][C@H](C)c1cc2cnccc2o1 ZINC000657972758 430778211 /nfs/dbraw/zinc/77/82/11/430778211.db2.gz JNFSDOIYIKLREQ-CQSZACIVSA-N 2 0 305.422 2.837 20 0 DFADRP C[NH+](C)CCN1CCC([NH2+][C@@H]2CCCc3ccccc3C2)CC1 ZINC000648416636 430779606 /nfs/dbraw/zinc/77/96/06/430779606.db2.gz RBMKEXYUGGCNCZ-HXUWFJFHSA-N 2 0 315.505 2.550 20 0 DFADRP C[N@@H+]1CC[C@H]([NH2+]Cc2cccnc2N2CCCC2)[C@H]2CCC[C@H]21 ZINC000658105366 430812585 /nfs/dbraw/zinc/81/25/85/430812585.db2.gz IFDIOBKBXBHTFJ-FGTMMUONSA-N 2 0 314.477 2.644 20 0 DFADRP C[C@@H](CN(C)CCC[NH+](C)C)[NH2+][C@@H](C)c1ccc(Cl)cn1 ZINC000658106587 430813335 /nfs/dbraw/zinc/81/33/35/430813335.db2.gz JBBCZEHDWDSIQJ-KBPBESRZSA-N 2 0 312.889 2.658 20 0 DFADRP C[C@@H]([NH2+][C@@H](C)CN(C)CCC[NH+](C)C)c1cc(F)cc(F)c1 ZINC000658110143 430815589 /nfs/dbraw/zinc/81/55/89/430815589.db2.gz VURXKUVTUUBLRU-UONOGXRCSA-N 2 0 313.436 2.887 20 0 DFADRP CC[C@H]([NH2+]Cc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1)[C@@H]1C[C@H]1C ZINC000658135293 430820447 /nfs/dbraw/zinc/82/04/47/430820447.db2.gz CZLKIXKVHGPKHA-FDPIWHGQSA-N 2 0 302.462 2.777 20 0 DFADRP CC[C@H]([NH2+]Cc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1)C1CCC1 ZINC000658136414 430821318 /nfs/dbraw/zinc/82/13/18/430821318.db2.gz IEPVQRUHIOKYHX-MOPGFXCFSA-N 2 0 302.462 2.922 20 0 DFADRP C[C@@H]([NH2+]Cc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1)c1cncs1 ZINC000658136899 430822973 /nfs/dbraw/zinc/82/29/73/430822973.db2.gz FTWPADIPQRHURR-CZUORRHYSA-N 2 0 317.458 2.561 20 0 DFADRP C[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1 ZINC000658142858 430823738 /nfs/dbraw/zinc/82/37/38/430823738.db2.gz FCAHAWYLZRYZJP-AYOQOUSVSA-N 2 0 302.462 2.922 20 0 DFADRP CC(C)[C@H]([NH2+]Cc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1)C1CC1 ZINC000658139900 430823815 /nfs/dbraw/zinc/82/38/15/430823815.db2.gz NZGSJBWPMHILRD-OALUTQOASA-N 2 0 302.462 2.777 20 0 DFADRP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)C1(CO)CC1 ZINC000658155641 430825440 /nfs/dbraw/zinc/82/54/40/430825440.db2.gz QMTGOFQFLYLRGN-BPIHKTFHSA-N 2 0 314.473 2.933 20 0 DFADRP C[C@H]1CC[C@@H](C[NH2+]Cc2ccc(OCC[NH+]3CCCC3)cc2)O1 ZINC000651620988 430832646 /nfs/dbraw/zinc/83/26/46/430832646.db2.gz JYPKTNZSKXXMRB-LPHOPBHVSA-N 2 0 318.461 2.818 20 0 DFADRP COC1(C[NH2+]Cc2cn(-c3cc[nH+]cc3)nc2C)CCCC1 ZINC000648601952 430835974 /nfs/dbraw/zinc/83/59/74/430835974.db2.gz GGTJGMUPIRJWHR-UHFFFAOYSA-N 2 0 300.406 2.625 20 0 DFADRP Cc1cc[nH+]c(NC[C@@H]2CC[N@@H+]([C@@H](C)c3cnc(C)cn3)C2)c1 ZINC000644668255 430784604 /nfs/dbraw/zinc/78/46/04/430784604.db2.gz LBLPLYHVUIOZPT-HOTGVXAUSA-N 2 0 311.433 2.983 20 0 DFADRP C[C@@H]([NH2+]Cc1ccnc(C(F)(F)F)c1)C1CC[NH+](C)CC1 ZINC000651404591 430789142 /nfs/dbraw/zinc/78/91/42/430789142.db2.gz UGZDJKCIFDMDPP-LLVKDONJSA-N 2 0 301.356 2.920 20 0 DFADRP C[C@H]([NH2+]CC1CC[NH+](C2CCOCC2)CC1)c1cncs1 ZINC000658068274 430798131 /nfs/dbraw/zinc/79/81/31/430798131.db2.gz VMHYRWIYKSGDJY-ZDUSSCGKSA-N 2 0 309.479 2.685 20 0 DFADRP COC1([C@H](C)[NH2+]CC2CC[NH+](C3CCOCC3)CC2)CCCC1 ZINC000658069492 430798657 /nfs/dbraw/zinc/79/86/57/430798657.db2.gz FRVKTLIKGHGRCT-INIZCTEOSA-N 2 0 324.509 2.815 20 0 DFADRP CO[C@H](C[NH2+]C1CC[NH+]([C@@H]2CCCC[C@@H]2C)CC1)[C@@H]1CCOC1 ZINC000658075103 430802700 /nfs/dbraw/zinc/80/27/00/430802700.db2.gz WAJGPHYFDJYWSW-QFHJOOASSA-N 2 0 324.509 2.671 20 0 DFADRP Cc1ccc(C[C@@H](CO)[NH2+][C@@H](C)C2CC[NH+](C)CC2)cc1C ZINC000651496706 430809969 /nfs/dbraw/zinc/80/99/69/430809969.db2.gz DQBIRJKYDZFZHC-LPHOPBHVSA-N 2 0 304.478 2.527 20 0 DFADRP C[NH2+]C[C@H](C)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@H]2CCC[C@@H]21 ZINC000665298662 430888878 /nfs/dbraw/zinc/88/88/78/430888878.db2.gz ZRDWAWGDPJJVEF-AITUJVMLSA-N 2 0 301.478 2.627 20 0 DFADRP COCCC[NH+]1CCC([NH2+][C@H](COC)CC(C)(C)C)CC1 ZINC000651694668 430850822 /nfs/dbraw/zinc/85/08/22/430850822.db2.gz MXARZGKPQDPIDA-INIZCTEOSA-N 2 0 300.487 2.528 20 0 DFADRP C[C@H]([NH2+][C@@H]1C[C@@H](O)C12CCC2)c1cccc(OCC[NH+](C)C)c1 ZINC000658254448 430852439 /nfs/dbraw/zinc/85/24/39/430852439.db2.gz NSKGVFAALCNBQF-BMGDILEWSA-N 2 0 318.461 2.581 20 0 DFADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+]Cc2cccc3c2CCC3)CC1 ZINC000651705512 430852877 /nfs/dbraw/zinc/85/28/77/430852877.db2.gz VRYSCGJXJLRAQN-KRWDZBQOSA-N 2 0 315.505 2.539 20 0 DFADRP CC[NH+]1CCN(C[C@H](C)C[NH2+]Cc2cccc3c2CCC3)CC1 ZINC000651705513 430852978 /nfs/dbraw/zinc/85/29/78/430852978.db2.gz VRYSCGJXJLRAQN-QGZVFWFLSA-N 2 0 315.505 2.539 20 0 DFADRP Cc1cncc(CC[NH2+]C2CC[NH+]([C@@H]3CCC[C@H](C)C3)CC2)n1 ZINC000658260306 430856427 /nfs/dbraw/zinc/85/64/27/430856427.db2.gz ATSPPHAGFDRSLX-HNAYVOBHSA-N 2 0 316.493 2.960 20 0 DFADRP Cc1cncc(CC[NH2+]C2CC[NH+]([C@H]3CCCC[C@@H]3C)CC2)n1 ZINC000658263282 430856960 /nfs/dbraw/zinc/85/69/60/430856960.db2.gz ZSCUOFUDDSLRAI-KXBFYZLASA-N 2 0 316.493 2.960 20 0 DFADRP Cc1cncc(CC[NH2+]C2CC[NH+]([C@@H]3CCC[C@@H](C)C3)CC2)n1 ZINC000658260305 430857538 /nfs/dbraw/zinc/85/75/38/430857538.db2.gz ATSPPHAGFDRSLX-DNVCBOLYSA-N 2 0 316.493 2.960 20 0 DFADRP C[C@@H]1C[N@@H+](CCCC[NH2+]Cc2cc3cnccc3o2)C[C@H](C)O1 ZINC000651721045 430858873 /nfs/dbraw/zinc/85/88/73/430858873.db2.gz RGWVVYKRASEBPY-GASCZTMLSA-N 2 0 317.433 2.807 20 0 DFADRP Nc1cccc(C[NH2+][C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)c1 ZINC000665232198 430861310 /nfs/dbraw/zinc/86/13/10/430861310.db2.gz HUQXLUZGQUDGBF-PKOBYXMFSA-N 2 0 309.413 2.614 20 0 DFADRP CCCN1CC[C@@H]([NH2+][C@@H](C)c2cccc(OCC[NH+](C)C)c2)C1 ZINC000658286529 430862366 /nfs/dbraw/zinc/86/23/66/430862366.db2.gz AMIRRWAXVYNKMZ-FUHWJXTLSA-N 2 0 319.493 2.762 20 0 DFADRP CCCN1CC[C@@H]([NH2+][C@@H](C)c2ccc(OCC[NH+](C)C)cc2)C1 ZINC000658287894 430863313 /nfs/dbraw/zinc/86/33/13/430863313.db2.gz ONESBTZSCDTMIK-FUHWJXTLSA-N 2 0 319.493 2.762 20 0 DFADRP C[C@@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]CCc1noc2ccccc12 ZINC000665232537 430864572 /nfs/dbraw/zinc/86/45/72/430864572.db2.gz OOXTUQISYFHUFN-RDTXWAMCSA-N 2 0 309.413 2.918 20 0 DFADRP [NH3+][C@H]1CCCCC[C@@H]1[NH2+]CC1CC[NH+](Cc2ccncc2)CC1 ZINC000665240633 430866477 /nfs/dbraw/zinc/86/64/77/430866477.db2.gz PMNUWMQYJVLLJB-OALUTQOASA-N 3 0 316.493 2.543 20 0 DFADRP CC[NH+](CC)[C@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)c1ccccc1 ZINC000648724309 430869818 /nfs/dbraw/zinc/86/98/18/430869818.db2.gz QYZMUOHIBDCDSC-KBAYOESNSA-N 2 0 317.477 2.526 20 0 DFADRP Cc1nc(C[NH3+])ccc1[C@H](C)N[C@@H]1C[NH2+]CC[C@@H]1c1ccccc1 ZINC000665252567 430870185 /nfs/dbraw/zinc/87/01/85/430870185.db2.gz SRZWKXMGKUEYLN-CWFSZBLJSA-N 2 0 324.472 2.645 20 0 DFADRP C[C@H]([NH2+][C@@H]1CNCC[C@@H]1c1ccc(F)cc1)C1CC[NH+](C)CC1 ZINC000665257896 430873372 /nfs/dbraw/zinc/87/33/72/430873372.db2.gz XVHQTUFCXIXSOT-GDIGMMSISA-N 2 0 319.468 2.591 20 0 DFADRP COc1ccc(-c2cc(C[NH2+][C@H]3CCCC[C@@H]3C[NH3+])on2)cc1 ZINC000665262340 430874436 /nfs/dbraw/zinc/87/44/36/430874436.db2.gz YVQFRJIMLBEWIQ-PBHICJAKSA-N 2 0 315.417 2.957 20 0 DFADRP Cn1ncc(C2CC2)c1C[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1 ZINC000665264566 430875422 /nfs/dbraw/zinc/87/54/22/430875422.db2.gz CHARYZARPNXOGU-BHYGNILZSA-N 2 0 302.466 2.698 20 0 DFADRP COC[C@H](CC(C)(C)C)[NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1 ZINC000651786125 430875720 /nfs/dbraw/zinc/87/57/20/430875720.db2.gz LYHFHAMPFPVOHQ-HOTGVXAUSA-N 2 0 300.487 2.528 20 0 DFADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]CCCc2ccco2)[C@@H](C)C1 ZINC000658327231 430876068 /nfs/dbraw/zinc/87/60/68/430876068.db2.gz NGVYKPIKEDHIFX-WMZOPIPTSA-N 2 0 308.466 2.939 20 0 DFADRP Cc1nc(C[NH3+])ccc1[C@@H](C)N[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000665267240 430876233 /nfs/dbraw/zinc/87/62/33/430876233.db2.gz SJLJMBSYQCZCQI-WBVHZDCISA-N 2 0 316.493 2.906 20 0 DFADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CCCc2ccco2)[C@H](C)C1 ZINC000658327226 430877135 /nfs/dbraw/zinc/87/71/35/430877135.db2.gz NGVYKPIKEDHIFX-SJLPKXTDSA-N 2 0 308.466 2.939 20 0 DFADRP c1ccc([C@H]2CC[C@H]2[NH2+][C@@H]2CCOC[C@H]2[C@@H]2CCC[NH2+]2)cc1 ZINC000665273710 430878124 /nfs/dbraw/zinc/87/81/24/430878124.db2.gz CELMQTGYGGTQJE-ICBNADEASA-N 2 0 300.446 2.679 20 0 DFADRP c1ccc2c(CC[NH2+][C@@H]3CC[C@H]4C[NH2+]C[C@H]4C3)nsc2c1 ZINC000665275753 430878618 /nfs/dbraw/zinc/87/86/18/430878618.db2.gz QYGPWQYMCLCPES-BFHYXJOUSA-N 2 0 301.459 2.817 20 0 DFADRP CCC[NH+]1CCC([NH2+]C[C@H]2CCN2Cc2ccccc2)CC1 ZINC000658348863 430882953 /nfs/dbraw/zinc/88/29/53/430882953.db2.gz SLRCDKSSXTWFGI-LJQANCHMSA-N 2 0 301.478 2.725 20 0 DFADRP Cc1ccc([C@H](CCn2cncn2)[NH2+]CC[C@@H]([NH3+])C(C)C)cc1 ZINC000665282529 430883030 /nfs/dbraw/zinc/88/30/30/430883030.db2.gz ZQSFNNZRVJFVHB-MSOLQXFVSA-N 2 0 315.465 2.681 20 0 DFADRP OCC1CC([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]3CCC[C@@H]32)C1 ZINC000658353771 430883650 /nfs/dbraw/zinc/88/36/50/430883650.db2.gz RSCNSVMIJHYRPS-WFAGLZIHSA-N 2 0 314.473 2.790 20 0 DFADRP CO[C@@H]1[C@@H](C)[C@H]([NH2+]CC2CC[NH+](CC3CC3)CC2)C12CCC2 ZINC000658356938 430884895 /nfs/dbraw/zinc/88/48/95/430884895.db2.gz QJDQJDOXXQZHTH-JCGIZDLHSA-N 2 0 306.494 2.902 20 0 DFADRP C[NH2+]CCCC(=O)N1CCC([NH2+][C@@H](C)c2csc(C)c2)CC1 ZINC000665289509 430886218 /nfs/dbraw/zinc/88/62/18/430886218.db2.gz PZSRZNHCNNKJON-AWEZNQCLSA-N 2 0 323.506 2.698 20 0 DFADRP C[NH2+]CCCC(=O)N1CCC([NH2+][C@H]2CCCC[C@H]2C(C)C)CC1 ZINC000665287566 430886842 /nfs/dbraw/zinc/88/68/42/430886842.db2.gz OPBKYDQVVNZQSS-ROUUACIJSA-N 2 0 323.525 2.781 20 0 DFADRP [NH3+]Cc1cc(=O)[nH]c(C[NH2+][C@@H](c2cccs2)C2CCCC2)n1 ZINC000665291909 430887478 /nfs/dbraw/zinc/88/74/78/430887478.db2.gz NTYDFLWFSUSXSE-MRXNPFEDSA-N 2 0 318.446 2.724 20 0 DFADRP C[NH2+]CCCC(=O)N1CCC([NH2+][C@@H]2CCCC[C@H]2C(C)C)CC1 ZINC000665287567 430887652 /nfs/dbraw/zinc/88/76/52/430887652.db2.gz OPBKYDQVVNZQSS-ZWKOTPCHSA-N 2 0 323.525 2.781 20 0 DFADRP COc1ccc(-c2cc(CN[C@@H]3CC[N@H+](C)[C@H](C)C3)on2)cc1 ZINC000658188266 430838501 /nfs/dbraw/zinc/83/85/01/430838501.db2.gz PSTRJINQDIGENX-UKRRQHHQSA-N 2 0 315.417 2.923 20 0 DFADRP CC(C)C[N@H+](C)CCC[NH2+][C@H](C)CC(=O)N1CCCCCC1 ZINC000651866092 430898897 /nfs/dbraw/zinc/89/88/97/430898897.db2.gz UNJHZKLETPTVAP-QGZVFWFLSA-N 2 0 311.514 2.735 20 0 DFADRP C[C@@H](C[NH+]1CCC(N2CCC[C@H]2C(N)=O)CC1)C1CCCCC1 ZINC000645100405 430901626 /nfs/dbraw/zinc/90/16/26/430901626.db2.gz CUQZGKXENDLSCV-YJBOKZPZSA-N 2 0 321.509 2.617 20 0 DFADRP CC[NH+]1CCN(CC(C)(C)[NH2+]Cc2cscc2Cl)CC1 ZINC000648850571 430913557 /nfs/dbraw/zinc/91/35/57/430913557.db2.gz XRRVYCMTYQYZRH-UHFFFAOYSA-N 2 0 315.914 2.907 20 0 DFADRP C[C@@H]1[C@H](C(=O)Nc2cccc(CC[NH+]3CCCC3)c2)CC[N@@H+]1C ZINC000648849550 430913793 /nfs/dbraw/zinc/91/37/93/430913793.db2.gz KLVHYDDWWMEFPQ-CRAIPNDOSA-N 2 0 315.461 2.604 20 0 DFADRP CC[N@@H+]1CC[C@@H]([NH2+][C@@H]2CCO[C@H](c3ccncc3)C2)[C@H](C)C1 ZINC000651966327 430927755 /nfs/dbraw/zinc/92/77/55/430927755.db2.gz DMRMPWOWBMJOSC-DDBAPUKQSA-N 2 0 303.450 2.622 20 0 DFADRP C[C@@H]1[C@H](C(=O)Nc2ccc3c(c2)CC[C@H]3[NH+](C)C)CC[N@@H+]1C ZINC000648922267 430939057 /nfs/dbraw/zinc/93/90/57/430939057.db2.gz CHDKVTDNFMTSBD-SRCQZFHVSA-N 2 0 301.434 2.514 20 0 DFADRP FC1(F)Oc2ccc(CC[NH2+][C@@H]3CC[N@@H+]4CCC[C@@H]4C3)cc2O1 ZINC000652038175 430942806 /nfs/dbraw/zinc/94/28/06/430942806.db2.gz LRMJWILURXFXIJ-ZIAGYGMSSA-N 2 0 324.371 2.767 20 0 DFADRP C[C@@H](CCc1ccccc1)[NH+]1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000662160072 430983565 /nfs/dbraw/zinc/98/35/65/430983565.db2.gz MFEHNNUDKHPOHM-LPHOPBHVSA-N 2 0 302.462 2.539 20 0 DFADRP CC[C@@H]([NH2+]C[C@@H](C)C[NH+](C)C)c1cc(OC)c(OC)c(OC)c1 ZINC000652201152 430984334 /nfs/dbraw/zinc/98/43/34/430984334.db2.gz XCCVYNPRVQBFLH-UKRRQHHQSA-N 2 0 324.465 2.951 20 0 DFADRP CCO[C@H]1C[C@@H]([NH2+]CCC[N@H+](C)CC(C)C)C12CCOCC2 ZINC000652221907 430991131 /nfs/dbraw/zinc/99/11/31/430991131.db2.gz ACBWZBBADXIMHX-SJORKVTESA-N 2 0 312.498 2.528 20 0 DFADRP CC(C)C[N@H+](C)CCC[NH2+][C@@H](C)c1ccc(-n2cncn2)cc1 ZINC000652221110 430992165 /nfs/dbraw/zinc/99/21/65/430992165.db2.gz QVRFDRRRHCSCMG-INIZCTEOSA-N 2 0 315.465 2.896 20 0 DFADRP COc1ccc2c(c1)C[C@@H]([NH2+]CCC[N@H+](C)CC(C)C)CO2 ZINC000652222410 430993157 /nfs/dbraw/zinc/99/31/57/430993157.db2.gz NVWZBBKNTBKJNW-MRXNPFEDSA-N 2 0 306.450 2.566 20 0 DFADRP CC[C@@H](Cc1ccccc1)[N@H+](CC)C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662258681 431019627 /nfs/dbraw/zinc/01/96/27/431019627.db2.gz YZBMQWPYERKXJW-ROUUACIJSA-N 2 0 302.462 2.851 20 0 DFADRP C[C@@H]1C[C@@H](c2cccc(F)c2)[N@H+](C[C@@H]2CCC3(C[NH2+]C3)O2)C1 ZINC000662256596 431020299 /nfs/dbraw/zinc/02/02/99/431020299.db2.gz WSQBBNGYUKYCSR-COXVUDFISA-N 2 0 304.409 2.730 20 0 DFADRP CN(c1nc(CN2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)cs1)C1CC1 ZINC000662265591 431021053 /nfs/dbraw/zinc/02/10/53/431021053.db2.gz RVORIHGVUQRMDT-BBRMVZONSA-N 2 0 320.506 2.706 20 0 DFADRP C[C@H]1CCCC[N@@H+]1CCCCNC(=O)[C@]12C[NH2+]C[C@@H]1CCCC2 ZINC000645516153 431021199 /nfs/dbraw/zinc/02/11/99/431021199.db2.gz IMDNRSFULBGEIZ-JENIJYKNSA-N 2 0 321.509 2.537 20 0 DFADRP COc1ccc(-c2cc(C[N@@H+]3C[C@@H](C[NH3+])C[C@@H]3C)on2)cc1 ZINC000662265582 431021238 /nfs/dbraw/zinc/02/12/38/431021238.db2.gz RLOPNJHADIBNCK-QWHCGFSZSA-N 2 0 301.390 2.519 20 0 DFADRP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cccc3c2CC[NH2+]C3)C[C@@H]1C ZINC000662263568 431022282 /nfs/dbraw/zinc/02/22/82/431022282.db2.gz NKPDAJMHOURFGK-MAUKXSAKSA-N 3 0 301.478 2.637 20 0 DFADRP Cc1nn(C)cc1[C@@H]1CCC[N@@H+]1Cc1cccc2c1CC[NH2+]C2 ZINC000662261906 431022959 /nfs/dbraw/zinc/02/29/59/431022959.db2.gz CGDTUXGMRXMXIX-IBGZPJMESA-N 2 0 310.445 2.711 20 0 DFADRP CCCc1nc(C[N@@H+]2CCC[C@H]([C@@H]3C[C@@H]([NH3+])CCO3)C2)cs1 ZINC000652348424 431027632 /nfs/dbraw/zinc/02/76/32/431027632.db2.gz DGRMUMSTEMKIDG-DZKIICNBSA-N 2 0 323.506 2.814 20 0 DFADRP CC(C)c1cccc(C[N@@H+]2CCCC[C@H]2CNC(=O)CC[NH3+])c1 ZINC000662271491 431027826 /nfs/dbraw/zinc/02/78/26/431027826.db2.gz HSHPWCYJERMJIG-SFHVURJKSA-N 2 0 317.477 2.630 20 0 DFADRP COc1cccc([C@H](C)[N@@H+]2CCC[C@H]([C@H]3C[C@@H]([NH3+])CCO3)C2)c1 ZINC000652348588 431027869 /nfs/dbraw/zinc/02/78/69/431027869.db2.gz JBBXCATUBOVQDF-PCODUJHASA-N 2 0 318.461 2.975 20 0 DFADRP [NH3+]C[C@]12CCC[C@H]1CN(Cc1ncc(-c3cccs3)o1)C2 ZINC000652352345 431027946 /nfs/dbraw/zinc/02/79/46/431027946.db2.gz HXSZWNHEVWHNIS-LRDDRELGSA-N 2 0 303.431 2.964 20 0 DFADRP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCC[N@H+](CCSc3ccccc3)C2)C1 ZINC000652347977 431028381 /nfs/dbraw/zinc/02/83/81/431028381.db2.gz QOTXLPNNRAXFMI-LZLYRXPVSA-N 2 0 320.502 2.997 20 0 DFADRP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCC[N@H+](CCCCC3CCOCC3)C2)C1 ZINC000652350079 431028407 /nfs/dbraw/zinc/02/84/07/431028407.db2.gz FHGRUKWRBASKNI-GUDVDZBRSA-N 2 0 324.509 2.802 20 0 DFADRP CN(c1nc(C[N@@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)cs1)C1CC1 ZINC000662274450 431031086 /nfs/dbraw/zinc/03/10/86/431031086.db2.gz UIKZJXBYHFTNRZ-KGLIPLIRSA-N 2 0 320.506 2.563 20 0 DFADRP Cc1ccc([C@H]([NH2+]C[C@@H](C)CN2CC[NH+](C)CC2)C2CC2)cc1 ZINC000091320345 278858343 /nfs/dbraw/zinc/85/83/43/278858343.db2.gz JNSTWEDSURRRAL-XLIONFOSSA-N 2 0 315.505 2.919 20 0 DFADRP Cc1ccc(CC[N@@H+]2CCCC[C@@H]2[C@H]2C[C@@H]([NH3+])CCO2)cc1 ZINC000652362861 431032515 /nfs/dbraw/zinc/03/25/15/431032515.db2.gz RKCBCEAYKUTCAX-IPMKNSEASA-N 2 0 302.462 2.898 20 0 DFADRP c1ccc(C[C@@H]2CCC[C@@H]2[NH2+]C[C@H]2CCC3(C[NH2+]C3)O2)cc1 ZINC000662281705 431033437 /nfs/dbraw/zinc/03/34/37/431033437.db2.gz LCYPJYUNYBEYSZ-KSZLIROESA-N 2 0 300.446 2.508 20 0 DFADRP C[C@H](C(=O)NC1CCCCC1)[N@@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662298030 431037565 /nfs/dbraw/zinc/03/75/65/431037565.db2.gz UEGVHVHOXPJIOL-NVXWUHKLSA-N 2 0 321.509 2.535 20 0 DFADRP COc1ccc(CC[N@@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)cc1 ZINC000662295814 431038048 /nfs/dbraw/zinc/03/80/48/431038048.db2.gz VHYJJILWVHWSDS-SFHVURJKSA-N 2 0 302.462 2.949 20 0 DFADRP C[C@H]1[NH2+]CC[C@@H]1C(=O)Nc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000645780466 431069656 /nfs/dbraw/zinc/06/96/56/431069656.db2.gz ROTKSLGQNMWYJC-QAPCUYQASA-N 2 0 315.461 2.999 20 0 DFADRP CC(C)C[C@H](C)N(C)C(=O)C[N@@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662297799 431039134 /nfs/dbraw/zinc/03/91/34/431039134.db2.gz RYJBCORMPWHXJW-FUHWJXTLSA-N 2 0 323.525 2.591 20 0 DFADRP CN(CCc1ccccc1)[C@@H]1CC[N@H+](CC[C@H]2CCC[NH2+]C2)C1 ZINC000662307565 431042811 /nfs/dbraw/zinc/04/28/11/431042811.db2.gz XKUXCELMKDIIIV-WOJBJXKFSA-N 2 0 315.505 2.625 20 0 DFADRP C[C@@H]1CCC[N@H+](CCOCCOc2ccccc2)[C@@H]1CCC[NH3+] ZINC000662312403 431042844 /nfs/dbraw/zinc/04/28/44/431042844.db2.gz BXHALFKCHZJGQY-IEBWSBKVSA-N 2 0 320.477 2.921 20 0 DFADRP C[C@@H]1CCC[N@H+](CC(=O)N(C2CC2)C2CCCC2)[C@@H]1CCC[NH3+] ZINC000662313668 431044591 /nfs/dbraw/zinc/04/45/91/431044591.db2.gz KQBJXZOBUURWGB-CRAIPNDOSA-N 2 0 321.509 2.759 20 0 DFADRP CC[N@H+](CCOCC[NH3+])[C@@H](C)Cc1ccc(C(F)(F)F)cc1 ZINC000662318840 431046696 /nfs/dbraw/zinc/04/66/96/431046696.db2.gz HNDSEVRIJOEXCC-ZDUSSCGKSA-N 2 0 318.383 2.934 20 0 DFADRP c1c(C2CC[NH+](CC3CCC3)CC2)n[nH]c1C1CC[NH2+]CC1 ZINC000662327315 431048723 /nfs/dbraw/zinc/04/87/23/431048723.db2.gz NCUOTELNRBFXBO-UHFFFAOYSA-N 2 0 302.466 2.856 20 0 DFADRP CC[NH+](CC)Cc1ccc(C(=O)N[C@](C)(C[NH3+])CC(C)C)o1 ZINC000649272944 431052686 /nfs/dbraw/zinc/05/26/86/431052686.db2.gz WTHHGFZUEYSULX-KRWDZBQOSA-N 2 0 309.454 2.615 20 0 DFADRP CC[C@@H]([NH2+]C)C(=O)NCc1ccccc1C[N@@H+]1CCCC[C@@H]1C ZINC000662387113 431070180 /nfs/dbraw/zinc/07/01/80/431070180.db2.gz BMSBYCHXMWTHIU-MAUKXSAKSA-N 2 0 317.477 2.675 20 0 DFADRP C[NH+](C)C1(CNC(=O)c2cccc3c2C[NH2+]C3)CCCCCC1 ZINC000662368835 431061317 /nfs/dbraw/zinc/06/13/17/431061317.db2.gz ZWUMULFVKACVCL-UHFFFAOYSA-N 2 0 315.461 2.674 20 0 DFADRP C[N@@H+](Cc1ccccc1C(F)(F)F)C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662248638 431012364 /nfs/dbraw/zinc/01/23/64/431012364.db2.gz IKBMUQYIDQLKSL-ZDUSSCGKSA-N 2 0 314.351 2.658 20 0 DFADRP CC[NH+](CC)[C@H](CNC(=O)C[C@H]([NH3+])C(C)C)c1ccsc1 ZINC000645485336 431013559 /nfs/dbraw/zinc/01/35/59/431013559.db2.gz JQLUDZZUHCBMAI-LSDHHAIUSA-N 2 0 311.495 2.621 20 0 DFADRP C[C@@H]([NH3+])c1ccc(CNC(=O)C[C@H]2[NH2+]Cc3ccccc32)cc1 ZINC000659292122 431014222 /nfs/dbraw/zinc/01/42/22/431014222.db2.gz OMRMRCGUPXPOTE-FZKQIMNGSA-N 2 0 309.413 2.557 20 0 DFADRP CC[NH+](CC)[C@@H](CNC(=O)C[C@@H]([NH3+])C(C)C)c1ccsc1 ZINC000645485333 431014467 /nfs/dbraw/zinc/01/44/67/431014467.db2.gz JQLUDZZUHCBMAI-CABCVRRESA-N 2 0 311.495 2.621 20 0 DFADRP COc1ccc(C[N@H+](C)Cc2cccc3c2CC[NH2+]C3)cc1O ZINC000662252356 431014758 /nfs/dbraw/zinc/01/47/58/431014758.db2.gz JPGNRRKTZCBNPM-UHFFFAOYSA-N 2 0 312.413 2.679 20 0 DFADRP Fc1ccc(C[N@H+](CC2CC2)C[C@H]2CCC3(C[NH2+]C3)O2)cc1 ZINC000662255506 431015524 /nfs/dbraw/zinc/01/55/24/431015524.db2.gz QLYHKEMFYUZUIR-QGZVFWFLSA-N 2 0 304.409 2.559 20 0 DFADRP C[C@@]1(c2ccccc2)CCC[N@H+](C[C@H]2CCC3(C[NH2+]C3)O2)C1 ZINC000662254790 431015826 /nfs/dbraw/zinc/01/58/26/431015826.db2.gz MBKOSIXPNLELHV-QZTJIDSGSA-N 2 0 300.446 2.561 20 0 DFADRP c1ccc(CC[N@H+](C[C@@H]2CCC3(C[NH2+]C3)O2)C2CCCC2)cc1 ZINC000662255700 431016128 /nfs/dbraw/zinc/01/61/28/431016128.db2.gz CLWUUVCKSOQCEO-IBGZPJMESA-N 2 0 314.473 2.995 20 0 DFADRP OCC[N@H+](Cc1cccc2c1CC[NH2+]C2)[C@@H]1CCc2ccccc21 ZINC000662254236 431016626 /nfs/dbraw/zinc/01/66/26/431016626.db2.gz GBFCEVMAYYINTO-OAQYLSRUSA-N 2 0 322.452 2.814 20 0 DFADRP C[C@H]1CC(C)(C)C[C@](CO)([NH2+]Cc2cccc3c2CC[NH2+]C3)C1 ZINC000662258544 431017935 /nfs/dbraw/zinc/01/79/35/431017935.db2.gz JRXKZVMEENCPHZ-MGPUTAFESA-N 2 0 316.489 2.999 20 0 DFADRP CC(C)[C@@H](Cc1ccc(F)cc1)[N@H+](C)C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662257904 431018664 /nfs/dbraw/zinc/01/86/64/431018664.db2.gz SUFACQAURJPHBK-ZWKOTPCHSA-N 2 0 320.452 2.846 20 0 DFADRP CC(C)C[C@H](C[NH3+])CC(=O)NCCCC[N@@H+]1CCC[C@@H](C)C1 ZINC000662390150 431069112 /nfs/dbraw/zinc/06/91/12/431069112.db2.gz WWIFQXUHBCKGGL-SJORKVTESA-N 2 0 311.514 2.626 20 0 DFADRP Cc1ccc(C[C@H]2CCC[N@@H+]2C[C@@H]2CCC3(C[NH2+]C3)O2)cc1 ZINC000662257917 431019196 /nfs/dbraw/zinc/01/91/96/431019196.db2.gz RILADUXQLAKZOA-MSOLQXFVSA-N 2 0 300.446 2.523 20 0 DFADRP C[C@@H]([NH3+])c1ccc(C(=O)N2CCC[C@@H](C3CC[NH2+]CC3)C2)cc1 ZINC000662593591 431126370 /nfs/dbraw/zinc/12/63/70/431126370.db2.gz JNVVVKRUWZXOHW-RDTXWAMCSA-N 2 0 315.461 2.558 20 0 DFADRP COCC[N@H+](C)CCC[NH2+][C@H]1CCc2cccc(Cl)c2C1 ZINC000666082560 431109918 /nfs/dbraw/zinc/10/99/18/431109918.db2.gz ONNLJZBKPGWPOM-HNNXBMFYSA-N 2 0 310.869 2.755 20 0 DFADRP CC(C)(C)[N@@H+]1CC[C@H](CNC(=O)[C@H]2CCCCCC[C@@H]2[NH3+])C1 ZINC000662592679 431124410 /nfs/dbraw/zinc/12/44/10/431124410.db2.gz JNIGIMDLLGNMGJ-PMPSAXMXSA-N 2 0 309.498 2.521 20 0 DFADRP CC[NH2+]Cc1ccccc1NC(=O)c1cccc2c1CC[NH2+]C2 ZINC000662400049 431072520 /nfs/dbraw/zinc/07/25/20/431072520.db2.gz ZKCXCTCZBPLQSS-UHFFFAOYSA-N 2 0 309.413 2.694 20 0 DFADRP CC[C@H]([NH2+]C)C(=O)NC[C@H](c1ccccc1)[NH+]1CCC(C)CC1 ZINC000662401663 431074029 /nfs/dbraw/zinc/07/40/29/431074029.db2.gz ZBVWTPGQXXRHNY-ZWKOTPCHSA-N 2 0 317.477 2.574 20 0 DFADRP CC[C@@H](C)[N@H+](C)CCNC(=O)c1ccc2c(c1)[C@H](C[NH3+])CCC2 ZINC000662438729 431081065 /nfs/dbraw/zinc/08/10/65/431081065.db2.gz ASMBYTGDYGFNQT-PBHICJAKSA-N 2 0 317.477 2.525 20 0 DFADRP COc1ccc(F)cc1[C@H](C)[NH2+]C1CCN([C@@H]2CCOC2)CC1 ZINC000655694644 431084380 /nfs/dbraw/zinc/08/43/80/431084380.db2.gz IUBDBPXBSIBFTE-XJKSGUPXSA-N 2 0 322.424 2.738 20 0 DFADRP O=C(NCCCCC[NH+]1CCCCC1)c1cccc2c1C[NH2+]C2 ZINC000662454014 431085706 /nfs/dbraw/zinc/08/57/06/431085706.db2.gz HUYXYYCAMTUIER-UHFFFAOYSA-N 2 0 315.461 2.676 20 0 DFADRP C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)C[C@H]1[NH2+]Cc2ccccc21 ZINC000662450622 431085901 /nfs/dbraw/zinc/08/59/01/431085901.db2.gz UBQPXBPCWUJGNL-RVKKMQEKSA-N 2 0 315.461 2.600 20 0 DFADRP Cc1ccccc1CN1CCC[N@H+](CC[C@@H]2CC[NH2+]C2)CC1 ZINC000649411569 431092688 /nfs/dbraw/zinc/09/26/88/431092688.db2.gz HFFJEQIIZSHCQR-SFHVURJKSA-N 2 0 301.478 2.502 20 0 DFADRP COc1ccc([C@@H](C[NH3+])C[N@@H+]2CCC[C@@H]2c2ccccn2)cc1 ZINC000649411725 431093110 /nfs/dbraw/zinc/09/31/10/431093110.db2.gz ZHBFLMFZHIJING-QFBILLFUSA-N 2 0 311.429 2.970 20 0 DFADRP CCN1C[C@@H](C[N@H+](C)CC[C@@H]2CCC[NH2+]C2)Oc2ccccc21 ZINC000649411423 431093379 /nfs/dbraw/zinc/09/33/79/431093379.db2.gz WPNHOYXTYUTGBA-DLBZAZTESA-N 2 0 317.477 2.595 20 0 DFADRP Cc1cc(C)n(C[C@H]2CCCC[N@@H+]2CC[C@H]2CCC[NH2+]C2)n1 ZINC000649413112 431094107 /nfs/dbraw/zinc/09/41/07/431094107.db2.gz LYEHHGLPXMTLMM-QZTJIDSGSA-N 2 0 304.482 2.744 20 0 DFADRP CC(C)[NH+](CCCNC(=O)C[C@@H]1[NH2+]Cc2ccccc21)C(C)C ZINC000662487583 431094938 /nfs/dbraw/zinc/09/49/38/431094938.db2.gz YPJNJPAEAYXXDV-SFHVURJKSA-N 2 0 317.477 2.846 20 0 DFADRP c1ccc(NC[C@H]2CC[N@@H+](CCCC3CC[NH2+]CC3)C2)nc1 ZINC000649414653 431096273 /nfs/dbraw/zinc/09/62/73/431096273.db2.gz OOXQMVKLMNASEA-QGZVFWFLSA-N 2 0 302.466 2.595 20 0 DFADRP CN(CC[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1)c1ccccc1 ZINC000649418218 431096899 /nfs/dbraw/zinc/09/68/99/431096899.db2.gz JRUMOBICHUEVHQ-MSOLQXFVSA-N 2 0 301.478 2.834 20 0 DFADRP Cc1cc2c(c(C)c1)[C@@H]([NH2+]C[C@@H](C)N1CC[NH+](C)CC1)CC2 ZINC000655716933 431097128 /nfs/dbraw/zinc/09/71/28/431097128.db2.gz QLDVNWFIHDIZGO-AEFFLSMTSA-N 2 0 301.478 2.516 20 0 DFADRP CC(C)C[C@H](C[NH3+])CC(=O)Nc1ncc(C2CC[NH2+]CC2)s1 ZINC000662518256 431103401 /nfs/dbraw/zinc/10/34/01/431103401.db2.gz HWIRMCHVQRSENF-LBPRGKRZSA-N 2 0 324.494 2.560 20 0 DFADRP CC(C)(C)[N@@H+]1CC[C@H](CNC(=O)[C@@H]([NH3+])CC2CCCCC2)C1 ZINC000662594447 431128925 /nfs/dbraw/zinc/12/89/25/431128925.db2.gz SSXIUSDRKVLYDU-CVEARBPZSA-N 2 0 309.498 2.521 20 0 DFADRP C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1CC[N@H+](C)Cc1ccc(F)cc1 ZINC000367855728 279088149 /nfs/dbraw/zinc/08/81/49/279088149.db2.gz IXEZXFJRHVZALN-APWZRJJASA-N 2 0 319.468 2.816 20 0 DFADRP CC[NH+](CC)CCC[C@@H](C)NC(=O)CC1(C[NH3+])CCCCC1 ZINC000185338035 279100745 /nfs/dbraw/zinc/10/07/45/279100745.db2.gz FVEFOJXPPUGJDJ-MRXNPFEDSA-N 2 0 311.514 2.912 20 0 DFADRP CC[NH+](CC)CCC[C@H](C)NC(=O)[C@H](C)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000101650216 279101233 /nfs/dbraw/zinc/10/12/33/279101233.db2.gz QVSXJFQPMQSJNB-NXOAAHMSSA-N 2 0 311.514 2.874 20 0 DFADRP CC[NH+](CC)CCC[C@H](C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2[NH2+]1 ZINC000261634501 279101345 /nfs/dbraw/zinc/10/13/45/279101345.db2.gz IBKBCCMBIWALIW-NXOAAHMSSA-N 2 0 309.498 2.534 20 0 DFADRP CC(C)C[C@H](CNC(=O)C[C@H](C)[NH3+])[NH2+][C@H](C)c1ccccc1 ZINC000645964433 431131613 /nfs/dbraw/zinc/13/16/13/431131613.db2.gz QPPKMPKWGBKFSV-ZMSDIMECSA-N 2 0 305.466 2.605 20 0 DFADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]C[C@H]1COC2(CCCCCC2)O1 ZINC000245563467 288107300 /nfs/dbraw/zinc/10/73/00/288107300.db2.gz NAYABOAAYANNEZ-WCXIOVBPSA-N 2 0 310.482 2.771 20 0 DFADRP CCC[N@H+](CC)Cc1ccc(C(=O)N(C)CC(C)(C)[NH3+])cc1 ZINC000662608666 431133868 /nfs/dbraw/zinc/13/38/68/431133868.db2.gz OXXXHPWOGOIFLN-UHFFFAOYSA-N 2 0 305.466 2.728 20 0 DFADRP CO[C@H](C[NH+]1CCC(C[NH+]2CCCCCC2)CC1)[C@@H]1CCOC1 ZINC000659839892 431137812 /nfs/dbraw/zinc/13/78/12/431137812.db2.gz ZPKBQBHWRBSGKU-RTBURBONSA-N 2 0 324.509 2.626 20 0 DFADRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+][C@H]1CCCc2ccccc21 ZINC000186578934 279264017 /nfs/dbraw/zinc/26/40/17/279264017.db2.gz GFYBTYQELCGLLK-APWZRJJASA-N 2 0 301.478 2.680 20 0 DFADRP c1ccc2nc(C[NH+]3CCC(C[NH+]4CCCC4)CC3)cnc2c1 ZINC000659843773 431139109 /nfs/dbraw/zinc/13/91/09/431139109.db2.gz ZFAUNIWCNZFILL-UHFFFAOYSA-N 2 0 310.445 2.938 20 0 DFADRP CSc1cccc(C[NH+]2CCC(C[NH+]3CCOCC3)CC2)c1 ZINC000659847023 431141478 /nfs/dbraw/zinc/14/14/78/431141478.db2.gz YTJAULWWMVFZSH-UHFFFAOYSA-N 2 0 320.502 2.953 20 0 DFADRP CC1(C)CC[NH2+][C@H]1C(=O)Nc1ccc(CC[NH+]2CCCC2)cc1 ZINC000662692735 431164085 /nfs/dbraw/zinc/16/40/85/431164085.db2.gz GGYRPPMOSSPYEH-KRWDZBQOSA-N 2 0 315.461 2.652 20 0 DFADRP CC(C)[NH2+]CCC(=O)NC[C@@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000646071464 431168581 /nfs/dbraw/zinc/16/85/81/431168581.db2.gz NWRIEGGBHWNMQJ-WMLDXEAASA-N 2 0 323.506 2.635 20 0 DFADRP C[NH+](C)[C@H]1C[C@@H](C[NH2+]Cc2sccc2Br)C1 ZINC000655827000 431170899 /nfs/dbraw/zinc/17/08/99/431170899.db2.gz LZRAHCYNIAYBSG-AOOOYVTPSA-N 2 0 303.269 2.940 20 0 DFADRP Cc1nn(-c2cccc(F)c2)cc1C[NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000655824290 431172243 /nfs/dbraw/zinc/17/22/43/431172243.db2.gz HTRQCYMRFLBWOV-UJKQEGAGSA-N 2 0 316.424 2.750 20 0 DFADRP COc1ccc(C[NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)cc1OC(F)F ZINC000655825838 431172461 /nfs/dbraw/zinc/17/24/61/431172461.db2.gz NDEAEDYRFQNHTR-BETUJISGSA-N 2 0 314.376 2.726 20 0 DFADRP CCc1ncc(C[NH2+][C@@H](Cc2nccn2C)c2ccccc2)cn1 ZINC000666281782 431177942 /nfs/dbraw/zinc/17/79/42/431177942.db2.gz LTUXJHBWVNHTPM-KRWDZBQOSA-N 2 0 321.428 2.846 20 0 DFADRP CC[N@@H+]1CC[C@H](N(C)C(=O)C[C@H]2[NH2+]Cc3ccccc32)C[C@H]1C ZINC000662743833 431184321 /nfs/dbraw/zinc/18/43/21/431184321.db2.gz VMBYEZPQHHFKEV-UWWQBHOKSA-N 2 0 315.461 2.552 20 0 DFADRP Cc1ccccc1CCC[N@@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000646104802 431188387 /nfs/dbraw/zinc/18/83/87/431188387.db2.gz NTSHIDZEHJDEGW-UHFFFAOYSA-N 2 0 302.462 2.724 20 0 DFADRP C[C@@H]1CCN(C[C@@H]2CCC[N@@H+]2C)CC[NH+]1Cc1ccccc1 ZINC000649545750 431151852 /nfs/dbraw/zinc/15/18/52/431151852.db2.gz QPADWRSTWFARMZ-MJGOQNOKSA-N 2 0 301.478 2.677 20 0 DFADRP Cc1cccc(NC(=O)C[C@H](C)[NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)c1 ZINC000655805088 431154466 /nfs/dbraw/zinc/15/44/66/431154466.db2.gz BKBCDBFOUFDTLJ-YQQAZPJKSA-N 2 0 303.450 2.642 20 0 DFADRP C[C@@H]([NH3+])c1ccc(C(=O)N[C@@H]2CC[N@@H+](C3CCCCC3)C2)cc1 ZINC000662668486 431155867 /nfs/dbraw/zinc/15/58/67/431155867.db2.gz NIEDKFLMMOKDLA-RHSMWYFYSA-N 2 0 315.461 2.843 20 0 DFADRP C[C@H](CCc1ccc2c(c1)OCO2)[NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000655807690 431156175 /nfs/dbraw/zinc/15/61/75/431156175.db2.gz RCNGRLCXFUCKRC-BMFZPTHFSA-N 2 0 304.434 2.666 20 0 DFADRP [NH3+][C@@H]1CCCCCC[C@H]1C(=O)N[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000662667449 431157247 /nfs/dbraw/zinc/15/72/47/431157247.db2.gz AVKBSQAZZXSEJL-KBAYOESNSA-N 2 0 321.509 2.807 20 0 DFADRP CC1CC[NH+](C[C@@H]2CCC[N@H+](C[C@@H]3CCC[C@@H](O)C3)C2)CC1 ZINC000659865815 431157768 /nfs/dbraw/zinc/15/77/68/431157768.db2.gz QJQSEFVMZWIRLL-CEXWTWQISA-N 2 0 308.510 2.981 20 0 DFADRP COc1ccc2c(c1)[C@@H]([NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1)CCCO2 ZINC000655805740 431158540 /nfs/dbraw/zinc/15/85/40/431158540.db2.gz RVNMUKQQBKQXSF-VBQJREDUSA-N 2 0 304.434 2.839 20 0 DFADRP C[C@H](CC(=O)Nc1cccc(Cl)c1)[NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000655806875 431158978 /nfs/dbraw/zinc/15/89/78/431158978.db2.gz CQEYQEMKHGXXRO-IOASZLSFSA-N 2 0 323.868 2.987 20 0 DFADRP C[NH+](C)Cc1cccc(NC(=O)C[C@H]2[NH2+]Cc3ccccc32)c1 ZINC000662682134 431160092 /nfs/dbraw/zinc/16/00/92/431160092.db2.gz GAPSUNXTRVXQLT-GOSISDBHSA-N 2 0 309.413 2.921 20 0 DFADRP C[C@H]1CCC[N@H+](Cc2ccc(NC(=O)[C@H]3C[C@H]([NH3+])C3)cc2)C1 ZINC000662675076 431160408 /nfs/dbraw/zinc/16/04/08/431160408.db2.gz IZTORSVTYXIMIN-BPUTZDHNSA-N 2 0 301.434 2.594 20 0 DFADRP Cc1cccc(NC[C@H]2CC[N@H+](CCO[C@@H]3CC3(F)F)C2)[nH+]1 ZINC000659944033 431201052 /nfs/dbraw/zinc/20/10/52/431201052.db2.gz PLYUACHRXMAZDA-ZIAGYGMSSA-N 2 0 311.376 2.548 20 0 DFADRP CC[N@H+](CCCNC(=O)[C@@H]1[NH2+]CCC1(C)C)C1CCCCC1 ZINC000662829866 431208615 /nfs/dbraw/zinc/20/86/15/431208615.db2.gz XIAVYXGTUADNFL-INIZCTEOSA-N 2 0 309.498 2.535 20 0 DFADRP CCC(C)(C)[NH+]1CCN(C(=O)Nc2ccc(C[NH2+]C)cc2)CC1 ZINC000655910301 431212541 /nfs/dbraw/zinc/21/25/41/431212541.db2.gz XEQDCFOMMHFGCZ-UHFFFAOYSA-N 2 0 318.465 2.744 20 0 DFADRP C[NH2+]Cc1ccc(NC(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@H]23)cc1 ZINC000655909410 431214836 /nfs/dbraw/zinc/21/48/36/431214836.db2.gz JBRYBDPKSKOIML-IAGOWNOFSA-N 2 0 316.449 2.544 20 0 DFADRP CO[C@@H](C[NH+]1CCC(OCC[NH+]2CCCC2)CC1)C1CCCC1 ZINC000659974415 431217466 /nfs/dbraw/zinc/21/74/66/431217466.db2.gz MAPQKMXIAFJRHQ-IBGZPJMESA-N 2 0 324.509 2.768 20 0 DFADRP CC[NH+](CC)CCO[C@@H]1CC[N@H+](C[C@H](OC)C2CCCC2)C1 ZINC000659979499 431220287 /nfs/dbraw/zinc/22/02/87/431220287.db2.gz MJWYYNFIWVRMGR-MSOLQXFVSA-N 2 0 312.498 2.624 20 0 DFADRP C[C@@H]1C[C@@H](C)C[NH+](CCN2CC[C@H](C[N@H+](C)CC3CC3)C2)C1 ZINC000659978047 431221277 /nfs/dbraw/zinc/22/12/77/431221277.db2.gz KPNYWIPBDKZFRB-ZHALLVOQSA-N 2 0 307.526 2.628 20 0 DFADRP CC[C@@H]1C[N@@H+]2CCCC[C@@H]2CN1C(=O)c1ccc([C@@H](C)[NH3+])cc1 ZINC000646193914 431223281 /nfs/dbraw/zinc/22/32/81/431223281.db2.gz GWDDJNNQMXROLL-ZTFGCOKTSA-N 2 0 315.461 2.795 20 0 DFADRP CCc1csc(CC2CC[NH+](C[C@H]3CCC[NH2+]C3)CC2)n1 ZINC000655945948 431225114 /nfs/dbraw/zinc/22/51/14/431225114.db2.gz IGDPMVBUVIVNQI-HNNXBMFYSA-N 2 0 307.507 2.960 20 0 DFADRP c1cnc2nc(C3CC[NH+](C[C@@H]4CCC[NH2+]C4)CC3)ccc2c1 ZINC000655947397 431225464 /nfs/dbraw/zinc/22/54/64/431225464.db2.gz SEEXPZCWWOJGQJ-OAHLLOKOSA-N 2 0 310.445 2.809 20 0 DFADRP COc1ccc([C@H](C[NH3+])C[N@@H+]2CCC[C@H](OC3CCC3)C2)cc1 ZINC000655948031 431225898 /nfs/dbraw/zinc/22/58/98/431225898.db2.gz WHTFFUMQAMQNLL-APWZRJJASA-N 2 0 318.461 2.771 20 0 DFADRP COC1([C@@H](C)[NH2+]Cc2ccc(OCC[NH+](C)C)cc2)CCC1 ZINC000666454010 431237244 /nfs/dbraw/zinc/23/72/44/431237244.db2.gz LOSQSRYXCPFMDZ-OAHLLOKOSA-N 2 0 306.450 2.674 20 0 DFADRP [NH3+][C@H](CC1CCCCC1)C(=O)NCC1CC[NH+](CC2CC2)CC1 ZINC000662971688 431244116 /nfs/dbraw/zinc/24/41/16/431244116.db2.gz JOGOCXSORAXUMI-GOSISDBHSA-N 2 0 321.509 2.522 20 0 DFADRP [NH3+][C@H](CC1CCCCC1)C(=O)NC[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000663002305 431253508 /nfs/dbraw/zinc/25/35/08/431253508.db2.gz CYFQHXMGGAGLEA-QZTJIDSGSA-N 2 0 321.509 2.522 20 0 DFADRP O=C(Nc1cccc(CC[NH+]2CCCC2)c1)[C@@H]1CCC[NH2+]CC1 ZINC000653150978 431282654 /nfs/dbraw/zinc/28/26/54/431282654.db2.gz SKKMNDHCFQJMHM-QGZVFWFLSA-N 2 0 315.461 2.653 20 0 DFADRP C[NH+](C)CC[C@H](N)C(=O)N1CCc2c1cccc2-c1ccccc1 ZINC000653159790 431287577 /nfs/dbraw/zinc/28/75/77/431287577.db2.gz NKWKTBPUIOKMIS-SFHVURJKSA-N 2 0 323.440 2.522 20 0 DFADRP [NH3+][C@H]1CCC[C@@H]([NH2+]Cc2cccc(NC(=O)c3ccncc3)c2)C1 ZINC000656193217 431302282 /nfs/dbraw/zinc/30/22/82/431302282.db2.gz ZIOAIWAUXUNQSA-DLBZAZTESA-N 2 0 324.428 2.693 20 0 DFADRP CC[N@H+](CCCNC(=O)[C@H]1CCC[NH2+]CC1)C1CCCCC1 ZINC000653199556 431303968 /nfs/dbraw/zinc/30/39/68/431303968.db2.gz JMGPUPWBAPBUQL-INIZCTEOSA-N 2 0 309.498 2.537 20 0 DFADRP CCC(C)(C)[NH+]1CCN([C@@H](C)c2ccc(C[NH3+])nc2C)CC1 ZINC000656200769 431305542 /nfs/dbraw/zinc/30/55/42/431305542.db2.gz QEDCBYQOLDONPT-HNNXBMFYSA-N 2 0 304.482 2.716 20 0 DFADRP CC(C)[NH+]1CCN(c2cccc(N[C@@H]3CCC[C@H]([NH3+])C3)c2)CC1 ZINC000656197911 431306103 /nfs/dbraw/zinc/30/61/03/431306103.db2.gz DMUIXBZSOLSNIN-DLBZAZTESA-N 2 0 316.493 2.899 20 0 DFADRP CC(C)[C@H](CN[C@H]1CCC[C@H]([NH3+])C1)[N@@H+]1CCc2ccccc2C1 ZINC000656198224 431306637 /nfs/dbraw/zinc/30/66/37/431306637.db2.gz YMJALGGRGORENW-UFYCRDLUSA-N 2 0 315.505 2.929 20 0 DFADRP C[C@@H]1C[C@H](C[N@@H+]2CC[C@@H](N(C)Cc3ccccc3)C2)CC[NH2+]1 ZINC000666645437 431311644 /nfs/dbraw/zinc/31/16/44/431311644.db2.gz SRCQPNQEQBNZNH-BHIYHBOVSA-N 2 0 301.478 2.581 20 0 DFADRP C[NH+](C)[C@@H](CNC(=O)C[C@@H]1CCC[C@H]1[NH3+])c1ccc(Cl)cc1 ZINC000653122775 431273519 /nfs/dbraw/zinc/27/35/19/431273519.db2.gz DJFGANATTWZINI-IMJJTQAJSA-N 2 0 323.868 2.576 20 0 DFADRP CC[NH+](CC)Cc1ccc(C(=O)NC[C@H]([NH3+])c2ccccc2)o1 ZINC000646697484 431369762 /nfs/dbraw/zinc/36/97/62/431369762.db2.gz NFJCEDPCEWGWEH-INIZCTEOSA-N 2 0 315.417 2.551 20 0 DFADRP CCOCCC[N@@H+]1CC[C@@H](NCc2cc(C3CC3)no2)[C@@H](C)C1 ZINC000660304035 431369825 /nfs/dbraw/zinc/36/98/25/431369825.db2.gz BSACWCVVHPVIRE-WMLDXEAASA-N 2 0 321.465 2.779 20 0 DFADRP COc1ccc(C[C@H](C)C[NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)cc1F ZINC000656268906 431346866 /nfs/dbraw/zinc/34/68/66/431346866.db2.gz IYMBKDFKKLKMEY-CWRNSKLLSA-N 2 0 308.441 2.943 20 0 DFADRP Cn1cc(C[NH2+]C[C@H]2CCC[NH2+]C2)c(-c2cc3ccccc3o2)n1 ZINC000666763682 431348984 /nfs/dbraw/zinc/34/89/84/431348984.db2.gz QACKJXYLPBUWET-AWEZNQCLSA-N 2 0 324.428 2.923 20 0 DFADRP Cc1cccc(NC(=O)C[C@H](C)NC[C@H]2CCCC[NH2+]2)c1C ZINC000666770396 431351606 /nfs/dbraw/zinc/35/16/06/431351606.db2.gz YLGNIQONHQTSFG-GOEBONIOSA-N 2 0 303.450 2.752 20 0 DFADRP Cn1cc(CNC[C@@H]2CCC[NH2+]2)c(-c2cc3ccccc3o2)n1 ZINC000666783277 431355742 /nfs/dbraw/zinc/35/57/42/431355742.db2.gz WBOKRJRROMLDBM-HNNXBMFYSA-N 2 0 310.401 2.675 20 0 DFADRP CCC[N@H+](CC)Cc1ccc(C(=O)NC[C@@H]2CCCC[NH2+]2)cc1 ZINC000646651061 431359098 /nfs/dbraw/zinc/35/90/98/431359098.db2.gz QHILJBCJADEIAJ-SFHVURJKSA-N 2 0 317.477 2.790 20 0 DFADRP C[NH+](C)CCOc1ccc(CNCC2([NH3+])CCCCCC2)cc1 ZINC000666808167 431365549 /nfs/dbraw/zinc/36/55/49/431365549.db2.gz JHFLWZYKTSAXCR-UHFFFAOYSA-N 2 0 319.493 2.768 20 0 DFADRP Brc1csc(C[NH2+][C@H]2CC23CC[NH2+]CC3)c1 ZINC000666950947 431419375 /nfs/dbraw/zinc/41/93/75/431419375.db2.gz SDROMSVZPALGGI-NSHDSACASA-N 2 0 301.253 2.742 20 0 DFADRP COc1cc(C[NH2+][C@@H]2CC23CC[NH2+]CC3)ccc1OC(F)F ZINC000666950708 431420477 /nfs/dbraw/zinc/42/04/77/431420477.db2.gz BSKZNRSYHFSLRT-CQSZACIVSA-N 2 0 312.360 2.528 20 0 DFADRP c1ccc(COc2ccccc2C[NH2+][C@@H]2CC23CC[NH2+]CC3)nc1 ZINC000666952219 431423066 /nfs/dbraw/zinc/42/30/66/431423066.db2.gz KSFVWRWPEAWZKJ-LJQANCHMSA-N 2 0 323.440 2.892 20 0 DFADRP C[N@H+](Cc1ccccc1)CC(C)(C)C[NH2+][C@H]1CC12CC[NH2+]CC2 ZINC000666952133 431423409 /nfs/dbraw/zinc/42/34/09/431423409.db2.gz HHFOTQGOCHDXJH-SFHVURJKSA-N 3 0 315.505 2.876 20 0 DFADRP CC(C)=CCC[N@@H+](C)C[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000660334546 431385926 /nfs/dbraw/zinc/38/59/26/431385926.db2.gz NMEXJZWEAAXXOB-LJQANCHMSA-N 2 0 302.462 2.912 20 0 DFADRP c1ccc(COc2cccc(C[NH2+][C@@H]3CCC[NH2+]CC3)c2)nc1 ZINC000666855207 431386279 /nfs/dbraw/zinc/38/62/79/431386279.db2.gz FRQXPCFJCRSLKK-QGZVFWFLSA-N 2 0 311.429 2.892 20 0 DFADRP Cc1cccc(NC(=O)C[C@@H](C)[NH2+][C@H]2CCC[NH2+]CC2)c1C ZINC000666857761 431386391 /nfs/dbraw/zinc/38/63/91/431386391.db2.gz HYPANMJJEHZVKX-ZBFHGGJFSA-N 2 0 303.450 2.752 20 0 DFADRP Clc1ccc([C@H](C2CCOCC2)[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000653501799 431406053 /nfs/dbraw/zinc/40/60/53/431406053.db2.gz IPBQGXFTQGTWSQ-SOLBZPMBSA-N 2 0 320.864 2.959 20 0 DFADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+]Cc1c[nH]nc1-c1ccc(F)cc1 ZINC000666916900 431407588 /nfs/dbraw/zinc/40/75/88/431407588.db2.gz IZWINCGVMZAWLT-ZPVISIIKSA-N 2 0 314.408 2.821 20 0 DFADRP Cc1ccccc1NC(=O)C[C@H](C)[NH2+][C@@H]1CC[NH2+]C2(CCC2)C1 ZINC000666995189 431437255 /nfs/dbraw/zinc/43/72/55/431437255.db2.gz FOWWSQSXLSZTLH-JKSUJKDBSA-N 2 0 315.461 2.976 20 0 DFADRP COc1ccc(C[C@@H](C)[NH2+][C@H]2CC[NH2+]C3(CCC3)C2)cc1OC ZINC000666995243 431437689 /nfs/dbraw/zinc/43/76/89/431437689.db2.gz HMHWJCLTWGJOLF-ZBFHGGJFSA-N 2 0 318.461 2.899 20 0 DFADRP C[C@@H](CC(=O)Nc1ccc(F)cc1)[NH2+][C@@H]1CC[NH2+]C2(CCC2)C1 ZINC000666995292 431438846 /nfs/dbraw/zinc/43/88/46/431438846.db2.gz JSNNAZPBOIPUSG-XJKSGUPXSA-N 2 0 319.424 2.807 20 0 DFADRP CCOc1cc(C[NH2+][C@H]2CC[NH2+]C3(CCC3)C2)ccc1OC ZINC000666999486 431440436 /nfs/dbraw/zinc/44/04/36/431440436.db2.gz NKPPCQIOBBEZKJ-HNNXBMFYSA-N 2 0 304.434 2.858 20 0 DFADRP CC[N@H+](C)C[C@@H](O)C[NH+]1CCC[C@H](c2cc3ccccc3[nH]2)C1 ZINC000653573731 431440429 /nfs/dbraw/zinc/44/04/29/431440429.db2.gz LGSMODJNISIBBL-DLBZAZTESA-N 2 0 315.461 2.660 20 0 DFADRP Clc1ccc(C[NH+]2CCC(NCC34CC(C3)C[NH2+]4)CC2)cc1 ZINC000663497304 431443472 /nfs/dbraw/zinc/44/34/72/431443472.db2.gz DJRPNRWEDXBOIW-UHFFFAOYSA-N 2 0 319.880 2.646 20 0 DFADRP C[NH2+]CCCC(=O)N1CCC([NH2+][C@H]2CCC[C@H](C3CC3)C2)CC1 ZINC000663506121 431449027 /nfs/dbraw/zinc/44/90/27/431449027.db2.gz QCGCADBTNHDMOS-WMZOPIPTSA-N 2 0 321.509 2.535 20 0 DFADRP COc1cccc(-c2n[nH]cc2C[N@@H+]2CC[C@H](C)[C@H](C[NH3+])C2)c1 ZINC000667039016 431454303 /nfs/dbraw/zinc/45/43/03/431454303.db2.gz GDZXQOQYFNFLOR-DZGCQCFKSA-N 2 0 314.433 2.502 20 0 DFADRP Cn1cncc1CCC[N@@H+]1CC[C@H](Oc2cccc(F)c2)C1 ZINC000653613414 431459310 /nfs/dbraw/zinc/45/93/10/431459310.db2.gz JMQZAQMDELRNLM-KRWDZBQOSA-N 2 0 303.381 2.645 20 0 DFADRP CC(C)(C[N@@H+]1CC2(CC[NH2+]CC2)[C@@H]2COC[C@@H]21)c1ccccc1 ZINC000667059383 431461329 /nfs/dbraw/zinc/46/13/29/431461329.db2.gz UXVKJQAUEKVJSY-MSOLQXFVSA-N 2 0 314.473 2.665 20 0 DFADRP C[N@@H+]1CC[C@H]2OCCN(C[C@@H]3CC[C@@H](c4ccccc4)C3)[C@H]2C1 ZINC000660509127 431466628 /nfs/dbraw/zinc/46/66/28/431466628.db2.gz WWVONDOXOGZWTF-RSPOEFSDSA-N 2 0 314.473 2.975 20 0 DFADRP C[N@@H+]1CC[C@H](NC[C@@H]2CCC[NH+](CC3CC3)C2)[C@H]2CCC[C@@H]21 ZINC000663466067 431430604 /nfs/dbraw/zinc/43/06/04/431430604.db2.gz NTMRVZFCPILBCM-RDGPPVDQSA-N 2 0 305.510 2.571 20 0 DFADRP CC(C)(C)[C@H](C[NH3+])NCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000666981169 431431710 /nfs/dbraw/zinc/43/17/10/431431710.db2.gz SMFXWXMMOVIHQR-SFHVURJKSA-N 2 0 319.493 2.624 20 0 DFADRP COC[C@H](CC1CCOCC1)[NH2+]C[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000663466042 431433138 /nfs/dbraw/zinc/43/31/38/431433138.db2.gz NIYAZKXSRCSADB-MOPGFXCFSA-N 2 0 324.509 2.530 20 0 DFADRP c1cc2c(c(C[N@@H+]3CCC[C@H](C4CC[NH2+]CC4)C3)c1)OCO2 ZINC000656785138 431522757 /nfs/dbraw/zinc/52/27/57/431522757.db2.gz JJYHWBMQUDGMJB-HNNXBMFYSA-N 2 0 302.418 2.627 20 0 DFADRP C[C@]1(C[NH2+]C[C@@H]2CCN(c3ccccc3Cl)C2)CC[NH2+]C1 ZINC000656787345 431522987 /nfs/dbraw/zinc/52/29/87/431522987.db2.gz HURXSIZGRJVBAF-YOEHRIQHSA-N 2 0 307.869 2.756 20 0 DFADRP Cc1cccc2ncc(C[N@@H+]3CCC[C@@H](C4CC[NH2+]CC4)C3)n21 ZINC000656785935 431523729 /nfs/dbraw/zinc/52/37/29/431523729.db2.gz NNDZLQZECPSWJD-QGZVFWFLSA-N 2 0 312.461 2.854 20 0 DFADRP c1cc([C@H]2C[NH2+]CCO2)ccc1NC1CC[NH+](CC2CC2)CC1 ZINC000656792595 431524422 /nfs/dbraw/zinc/52/44/22/431524422.db2.gz MBKFOBOXCLLXIE-LJQANCHMSA-N 2 0 315.461 2.634 20 0 DFADRP c1cc2c(cc1CNc1ccc([C@H]3C[NH2+]CCO3)cc1)C[NH2+]CC2 ZINC000656790960 431524857 /nfs/dbraw/zinc/52/48/57/431524857.db2.gz BTXLTWNBQRFVJB-HXUWFJFHSA-N 2 0 323.440 2.605 20 0 DFADRP CCOc1ccc([C@@H]2CC[NH2+]C[C@@H]2NCC[NH2+]C(C)(C)C)cc1 ZINC000656790076 431525515 /nfs/dbraw/zinc/52/55/15/431525515.db2.gz ISJRLARTSKTQKG-ROUUACIJSA-N 2 0 319.493 2.509 20 0 DFADRP CCO[C@H](CC[NH+](C)C)C[NH2+]Cc1ccc2nc(C)ccc2c1 ZINC000189376687 279898530 /nfs/dbraw/zinc/89/85/30/279898530.db2.gz AYGIYUPHQJRQJA-GOSISDBHSA-N 2 0 315.461 2.990 20 0 DFADRP CC(C)(C[NH2+]C1CC[NH+](C2CCCCC2)CC1)[C@@]1(O)CCOC1 ZINC000647247590 431529573 /nfs/dbraw/zinc/52/95/73/431529573.db2.gz SYHOQRUPNWQOCZ-LJQANCHMSA-N 2 0 324.509 2.551 20 0 DFADRP CCC[N@@H+]1CC[C@H](C[NH2+]Cc2cn(C)nc2-c2ccc(C)o2)C1 ZINC000647174994 431495019 /nfs/dbraw/zinc/49/50/19/431495019.db2.gz TYYLJEIPKXZHPH-OAHLLOKOSA-N 2 0 316.449 2.810 20 0 DFADRP c1cc2c(cc[nH+]c2N2CCC(OCC[NH+]3CCCC3)CC2)[nH]1 ZINC000663679307 431497854 /nfs/dbraw/zinc/49/78/54/431497854.db2.gz ZKWJYLAXOYKDBR-UHFFFAOYSA-N 2 0 314.433 2.644 20 0 DFADRP c1ncn2c1CN(Cc1ccc(C[NH+]3CCCCC3)cc1)CC2 ZINC000660583867 431504534 /nfs/dbraw/zinc/50/45/34/431504534.db2.gz NGQUQFOEBVBLKW-UHFFFAOYSA-N 2 0 310.445 2.885 20 0 DFADRP c1cc(C[NH2+]CCCCC[NH+]2CCCC2)n(-c2ccccn2)n1 ZINC000647213115 431512662 /nfs/dbraw/zinc/51/26/62/431512662.db2.gz OKPJLEBMKQMHJN-UHFFFAOYSA-N 2 0 313.449 2.623 20 0 DFADRP Cc1ccc(-c2nn(C)cc2C[NH2+]CCCC[N@H+](C)C2CC2)o1 ZINC000647216534 431514253 /nfs/dbraw/zinc/51/42/53/431514253.db2.gz PGIYDMYRLOQILR-UHFFFAOYSA-N 2 0 316.449 2.953 20 0 DFADRP CC(C)[NH+]1CCC([NH2+][C@@H]2CCO[C@@H](c3cccnc3)C2)CC1 ZINC000647339695 431556458 /nfs/dbraw/zinc/55/64/58/431556458.db2.gz YYROJPSVBQFFCO-QZTJIDSGSA-N 2 0 303.450 2.764 20 0 DFADRP C[C@@H]([NH2+]C[C@@H]1C[N@H+](C)C[C@H]1c1ccccc1)C1CC[NH+](C)CC1 ZINC000647344070 431558658 /nfs/dbraw/zinc/55/86/58/431558658.db2.gz INIVPYLNZLJHGW-AHRSYUTCSA-N 3 0 315.505 2.652 20 0 DFADRP CC[NH+]1CCN(CCC[NH2+][C@H](CC(C)C)c2ccncc2)CC1 ZINC000647282544 431536857 /nfs/dbraw/zinc/53/68/57/431536857.db2.gz CTWVPZRXIBWUMK-LJQANCHMSA-N 2 0 318.509 2.786 20 0 DFADRP COc1cncc(/C=C/CC[N@@H+]2CCC[C@@]3(CC[NH+](C)C3)C2)c1 ZINC000660662413 431539844 /nfs/dbraw/zinc/53/98/44/431539844.db2.gz KAIKANAVIDGEKM-NAASZUNDSA-N 2 0 315.461 2.911 20 0 DFADRP C[N@@H+]1CC[C@@]2(C1)CCCN([C@H]1CC[NH+](Cc3ccccc3)C1)C2 ZINC000660664170 431540492 /nfs/dbraw/zinc/54/04/92/431540492.db2.gz QIGDAGXZVINDMJ-VQTJNVASSA-N 2 0 313.489 2.679 20 0 DFADRP O[C@@H]1CCC[C@@H](C[NH+]2CCC([NH2+]Cc3ccccc3)CC2)C1 ZINC000660675259 431544658 /nfs/dbraw/zinc/54/46/58/431544658.db2.gz HAXWWUYPYMKGDH-IEBWSBKVSA-N 2 0 302.462 2.792 20 0 DFADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@H]2CSc3ccccc3O2)[C@H](C)C1 ZINC000647314134 431546091 /nfs/dbraw/zinc/54/60/91/431546091.db2.gz YZAFPDATLCXJOG-ILXRZTDVSA-N 2 0 306.475 2.860 20 0 DFADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]C[C@@H]1CSc2ccccc2O1 ZINC000647314071 431547772 /nfs/dbraw/zinc/54/77/72/431547772.db2.gz MIPRQUQGLSCNGW-KBUPBQIOSA-N 2 0 306.475 2.858 20 0 DFADRP CC(C)[C@H](C(=O)NCC1(C[NH+](C)C)CCCC1)[NH+]1CCCCC1 ZINC000354083121 280169488 /nfs/dbraw/zinc/16/94/88/280169488.db2.gz MKFBSKJJORJHRV-QGZVFWFLSA-N 2 0 323.525 2.735 20 0 DFADRP C[C@]1(c2ccccc2)CC[C@H]([NH2+]C[C@H](O)C[NH+]2CCCC2)C1 ZINC000275903164 280174566 /nfs/dbraw/zinc/17/45/66/280174566.db2.gz SSGMSUKVBYCYPQ-FHWLQOOXSA-N 2 0 302.462 2.543 20 0 DFADRP CC[C@@H]1CCCCN1C(=O)C[N@@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000366885248 280240580 /nfs/dbraw/zinc/24/05/80/280240580.db2.gz PPDHOSWGICBHCX-QGZVFWFLSA-N 2 0 321.509 2.585 20 0 DFADRP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCC[N@H+](Cc3scnc3C3CC3)C2)C1 ZINC000650707743 431653369 /nfs/dbraw/zinc/65/33/69/431653369.db2.gz MGLRRVKRLOKGBG-KFWWJZLASA-N 2 0 321.490 2.739 20 0 DFADRP [NH3+][C@@H]1CCO[C@H]([C@H]2CCC[N@H+](Cc3csc(C4CC4)n3)C2)C1 ZINC000650707008 431653842 /nfs/dbraw/zinc/65/38/42/431653842.db2.gz WUFNUKZMHGNEMZ-LZWOXQAQSA-N 2 0 321.490 2.739 20 0 DFADRP Cc1cc(C[N@@H+]2CCC[C@H]([C@H]3C[C@H]([NH3+])CCO3)C2)ccc1F ZINC000650707082 431653948 /nfs/dbraw/zinc/65/39/48/431653948.db2.gz YDBQHQPLNPAWRU-LZLYRXPVSA-N 2 0 306.425 2.852 20 0 DFADRP COCc1cccc(C[N@@H+]2CCC[C@H]([C@@H]3C[C@@H]([NH3+])CCO3)C2)c1 ZINC000650707014 431654249 /nfs/dbraw/zinc/65/42/49/431654249.db2.gz WYNVZDMPJBHJBE-FHWLQOOXSA-N 2 0 318.461 2.551 20 0 DFADRP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCC[N@H+](Cc3ccc(F)c(F)c3)C2)C1 ZINC000650705868 431654596 /nfs/dbraw/zinc/65/45/96/431654596.db2.gz ZFTOOUFLHNBGAE-JJRVBVJISA-N 2 0 310.388 2.683 20 0 DFADRP Cc1cc(C[N@H+]2CCC[C@H](C)[C@@H]2CC[NH3+])ccc1-n1cncn1 ZINC000650711013 431656028 /nfs/dbraw/zinc/65/60/28/431656028.db2.gz GHVJVOWTMWXUQG-YOEHRIQHSA-N 2 0 313.449 2.525 20 0 DFADRP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+]1CCC[C@H](C)[C@H]1CC[NH3+] ZINC000650711200 431656148 /nfs/dbraw/zinc/65/61/48/431656148.db2.gz LJRNXCNGGVPNNS-KBXCAEBGSA-N 3 0 313.449 2.525 20 0 DFADRP Cc1ccc(-c2nn(C)cc2C[N@@H+]2C[C@@H]3CCC[C@]3(C[NH3+])C2)o1 ZINC000650709858 431656674 /nfs/dbraw/zinc/65/66/74/431656674.db2.gz UBLCPXAZLYDRDE-YJBOKZPZSA-N 2 0 314.433 2.549 20 0 DFADRP C[C@H]1CCC[N@H+](Cc2cnn(-c3ccc(F)cc3)c2)[C@H]1CC[NH3+] ZINC000650711153 431656876 /nfs/dbraw/zinc/65/68/76/431656876.db2.gz KASFSVDZVASFQO-KSSFIOAISA-N 2 0 316.424 2.961 20 0 DFADRP C[C@@H](CC(=O)Nc1cccc(Cl)c1)[NH2+]CCC1(C[NH3+])CC1 ZINC000650713155 431659036 /nfs/dbraw/zinc/65/90/36/431659036.db2.gz HMWLIHYCPPEJEN-LBPRGKRZSA-N 2 0 309.841 2.776 20 0 DFADRP [NH3+]CC1(CC[NH2+]Cc2ccc(OCC(F)(F)F)c(F)c2)CC1 ZINC000650713030 431659081 /nfs/dbraw/zinc/65/90/81/431659081.db2.gz CBUOVBBROZVTKR-UHFFFAOYSA-N 2 0 320.330 2.985 20 0 DFADRP C[C@H]1CCC[N@H+](Cc2ccc(N3CCCC3)nc2)[C@@H]1CC[NH3+] ZINC000650711466 431659476 /nfs/dbraw/zinc/65/94/76/431659476.db2.gz UOGZIGLBNOWPOG-DOTOQJQBSA-N 2 0 302.466 2.631 20 0 DFADRP COc1cccc(-c2n[nH]cc2C[NH+]2CCC([C@H](C)[NH3+])CC2)c1 ZINC000647492121 431605713 /nfs/dbraw/zinc/60/57/13/431605713.db2.gz GDDVJELQBFRLJK-ZDUSSCGKSA-N 2 0 314.433 2.645 20 0 DFADRP Cc1ccc(-c2nn(C)cc2C[N@H+]2CCC[C@@H]([C@H](C)[NH3+])C2)o1 ZINC000647496493 431607471 /nfs/dbraw/zinc/60/74/71/431607471.db2.gz LFVDFNOTKWRRAL-UONOGXRCSA-N 2 0 302.422 2.548 20 0 DFADRP COc1cccc(-c2n[nH]cc2C[N@H+](C)CC(C)(C)C[NH3+])c1 ZINC000647505949 431608672 /nfs/dbraw/zinc/60/86/72/431608672.db2.gz SIFMQUFKOUXLME-UHFFFAOYSA-N 2 0 302.422 2.502 20 0 DFADRP CC[C@@H]1C[N@H+](Cc2cccc(OCCCOC)c2)CC[C@@H]1[NH3+] ZINC000647498848 431610348 /nfs/dbraw/zinc/61/03/48/431610348.db2.gz RYFLDMXXMMFVHP-AEFFLSMTSA-N 2 0 306.450 2.661 20 0 DFADRP Cc1ccccc1C[N@@H+]1CCCN(C[C@]2(C)CC[NH2+]C2)CC1 ZINC000647513775 431611604 /nfs/dbraw/zinc/61/16/04/431611604.db2.gz CAUHPTSUPBCQDE-LJQANCHMSA-N 2 0 301.478 2.502 20 0 DFADRP [NH3+]CC1(CC[NH2+]Cc2ccc(Br)cc2F)CC1 ZINC000650712216 431660590 /nfs/dbraw/zinc/66/05/90/431660590.db2.gz WTONHWQFOJVOAM-UHFFFAOYSA-N 2 0 301.203 2.807 20 0 DFADRP C[C@H]1C[C@@H](C[NH3+])C[N@@H+]1Cc1cnn(Cc2ccccc2Cl)c1 ZINC000647509237 431612905 /nfs/dbraw/zinc/61/29/05/431612905.db2.gz XAWUUMOMMWHIBK-KBPBESRZSA-N 2 0 318.852 2.754 20 0 DFADRP c1cc(C[NH+]2CCC([C@H]3CC[NH2+]C3)CC2)c2c(c1)OCCCO2 ZINC000357091734 280466721 /nfs/dbraw/zinc/46/67/21/280466721.db2.gz WQYXDXQKMGWQJB-INIZCTEOSA-N 2 0 316.445 2.669 20 0 DFADRP CC[N@H+](CCC1CC[NH+](Cc2ccc(N)nc2)CC1)CC1CC1 ZINC000647538056 431622130 /nfs/dbraw/zinc/62/21/30/431622130.db2.gz DWWRRDANSFZGPV-UHFFFAOYSA-N 2 0 316.493 2.828 20 0 DFADRP CC(C)(C)n1cc(C[N@@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)cn1 ZINC000647542763 431622987 /nfs/dbraw/zinc/62/29/87/431622987.db2.gz BNWGGKISVOBOTC-IRXDYDNUSA-N 2 0 304.482 2.850 20 0 DFADRP Cc1ccc(-c2nn(C)cc2C[NH+]2CCC3(CC[NH2+]C3)CC2)o1 ZINC000647542425 431623100 /nfs/dbraw/zinc/62/31/00/431623100.db2.gz FZQLORMFRYIUPU-UHFFFAOYSA-N 2 0 314.433 2.564 20 0 DFADRP COc1cc(C)c(C[N@@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)c(C)n1 ZINC000647544198 431623788 /nfs/dbraw/zinc/62/37/88/431623788.db2.gz YBBFBJBZNIDAQR-SJORKVTESA-N 2 0 317.477 2.919 20 0 DFADRP Cc1nc2ccccn2c1C[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647543195 431623993 /nfs/dbraw/zinc/62/39/93/431623993.db2.gz JATUUPYLVSZQMW-IRXDYDNUSA-N 2 0 312.461 2.854 20 0 DFADRP COCc1cnc(C[N@@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)s1 ZINC000647544233 431624413 /nfs/dbraw/zinc/62/44/13/431624413.db2.gz YKKGMRYTXAMPEC-ZIAGYGMSSA-N 2 0 309.479 2.501 20 0 DFADRP c1cc(C[N@@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)cc2c1OCC2 ZINC000647544094 431624766 /nfs/dbraw/zinc/62/47/66/431624766.db2.gz WRCHNEYOCHDKNX-QZTJIDSGSA-N 2 0 300.446 2.833 20 0 DFADRP c1cc2c(cc1C[N@@H+]1CCC[C@@H]([C@@H]3CCC[NH2+]C3)C1)OCCO2 ZINC000647543498 431625156 /nfs/dbraw/zinc/62/51/56/431625156.db2.gz OKLIQTOAZYFURT-IAGOWNOFSA-N 2 0 316.445 2.669 20 0 DFADRP CCn1nc(C)c(C[N@@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)c1C ZINC000647542986 431625318 /nfs/dbraw/zinc/62/53/18/431625318.db2.gz FWAQWLFMEYJMTG-IAGOWNOFSA-N 2 0 304.482 2.731 20 0 DFADRP CC1(C)C[C@H]([NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)c2cc(N)ccc2O1 ZINC000647548216 431627076 /nfs/dbraw/zinc/62/70/76/431627076.db2.gz ZLHVUSCTLRZCGT-SMKXDYDZSA-N 2 0 315.461 2.849 20 0 DFADRP NC[C@H]([NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1)c1ccc2ccccc2c1 ZINC000647547007 431627446 /nfs/dbraw/zinc/62/74/46/431627446.db2.gz KMHCSFTXONTOEG-NMLBUPMWSA-N 2 0 309.457 2.817 20 0 DFADRP CC1(C)C[C@H]([NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)c2cc(N)ccc2O1 ZINC000647548213 431627956 /nfs/dbraw/zinc/62/79/56/431627956.db2.gz ZLHVUSCTLRZCGT-CXUGXGMPSA-N 2 0 315.461 2.849 20 0 DFADRP Cc1ccc(-c2nn(C)cc2C[NH2+]C[C@H]2CC[C@H](C[NH3+])CC2)o1 ZINC000647548064 431628723 /nfs/dbraw/zinc/62/87/23/431628723.db2.gz UDZBIFONJJFOAN-SHTZXODSSA-N 2 0 316.449 2.843 20 0 DFADRP [NH3+]Cc1ccc(C[NH2+]C[C@@H]2CCOc3ccccc32)c(F)c1 ZINC000650717779 431661293 /nfs/dbraw/zinc/66/12/93/431661293.db2.gz MBCVXQKEPGUMBV-AWEZNQCLSA-N 2 0 300.377 2.940 20 0 DFADRP CC(C)(C)CC(C)(C)[NH+]1CCC([NH2+]C[C@@H]2CCCNC2=O)CC1 ZINC000657276599 431646636 /nfs/dbraw/zinc/64/66/36/431646636.db2.gz LLHZIOUMSKSTTI-HNNXBMFYSA-N 2 0 323.525 2.781 20 0 DFADRP CN(C)[C@H](C[NH2+]Cc1ccnn1-c1cc[nH+]cc1)c1ccccc1 ZINC000657288214 431648756 /nfs/dbraw/zinc/64/87/56/431648756.db2.gz BWMDRLWFWHEYBE-LJQANCHMSA-N 2 0 321.428 2.660 20 0 DFADRP COC[C@H](C)Oc1ccc(C[NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000657308469 431664299 /nfs/dbraw/zinc/66/42/99/431664299.db2.gz ZRQSEFGLEIGFNT-RDJZCZTQSA-N 2 0 318.461 2.674 20 0 DFADRP C[NH2+]Cc1ccccc1C[NH2+][C@@H]1CCN[C@H](c2ccccc2)C1 ZINC000650720053 431664975 /nfs/dbraw/zinc/66/49/75/431664975.db2.gz DABHGECPOXZWPR-UXHICEINSA-N 2 0 309.457 2.989 20 0 DFADRP C[C@H]1CCCC[N@@H+]1CCCC[NH2+]Cc1cn(C2CCC2)nn1 ZINC000657311485 431665270 /nfs/dbraw/zinc/66/52/70/431665270.db2.gz LFGPRJHTUKEOHL-HNNXBMFYSA-N 2 0 305.470 2.747 20 0 DFADRP C[C@H]1C[C@H](C)C[NH+](CCCC[NH2+]Cc2cc3n(n2)CCC3)C1 ZINC000657313833 431669312 /nfs/dbraw/zinc/66/93/12/431669312.db2.gz VGCWZUWAXBXOOI-HOTGVXAUSA-N 2 0 304.482 2.677 20 0 DFADRP COCc1cccc(C[N@@H+]2CCCC[C@@H]2[C@H]2C[C@@H]([NH3+])CCO2)c1 ZINC000650724137 431669595 /nfs/dbraw/zinc/66/95/95/431669595.db2.gz YQOOQCVMCPSADF-IPMKNSEASA-N 2 0 318.461 2.694 20 0 DFADRP COC[C@H](C)Oc1ccc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000657313042 431669757 /nfs/dbraw/zinc/66/97/57/431669757.db2.gz GKYKRWAUULMTGY-SZMVWBNQSA-N 2 0 318.461 2.817 20 0 DFADRP COC[C@H](C)Oc1ccc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000657313040 431671054 /nfs/dbraw/zinc/67/10/54/431671054.db2.gz GKYKRWAUULMTGY-JQHSSLGASA-N 2 0 318.461 2.817 20 0 DFADRP CCC[N@@H+]1CC[C@@H](C[NH2+]Cc2ccc(O[C@H]3CCOC3)cc2)C1 ZINC000657325630 431676347 /nfs/dbraw/zinc/67/63/47/431676347.db2.gz ODZRIIRJHSCSNH-HKUYNNGSSA-N 2 0 318.461 2.676 20 0 DFADRP C[C@@H](C[NH2+]Cc1cccc(OC2CC2)c1F)Cn1ccnc1 ZINC000657334296 431681498 /nfs/dbraw/zinc/68/14/98/431681498.db2.gz UTNPOWSYILQZDV-ZDUSSCGKSA-N 2 0 303.381 2.989 20 0 DFADRP C[NH2+]Cc1ccccc1C[NH2+][C@H](C)CC(=O)Nc1ccccc1 ZINC000650759060 431682726 /nfs/dbraw/zinc/68/27/26/431682726.db2.gz CDGBOGGAAAVVPS-OAHLLOKOSA-N 2 0 311.429 2.913 20 0 DFADRP COC[C@@H](C)Oc1ccc(C[NH2+]C[C@@H]2CC[N@@H+](C(C)C)C2)cc1 ZINC000657336133 431682873 /nfs/dbraw/zinc/68/28/73/431682873.db2.gz XJIRINLTWWDHCZ-AEFFLSMTSA-N 2 0 320.477 2.920 20 0 DFADRP C[C@H](COCC1CC1)[NH2+][C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000650760823 431683316 /nfs/dbraw/zinc/68/33/16/431683316.db2.gz NBXAFXZIWLUUNT-BJZITVGISA-N 2 0 316.445 2.647 20 0 DFADRP C[C@H]([NH2+]CCc1ccc2c(c1)OC(F)(F)O2)[C@@H]1CCC[NH2+]C1 ZINC000650760897 431683881 /nfs/dbraw/zinc/68/38/81/431683881.db2.gz OIWPVCVACKIKKH-WCQYABFASA-N 2 0 312.360 2.528 20 0 DFADRP c1ccc([C@H]([NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)[C@H]2CCCO2)cc1 ZINC000647786519 431684107 /nfs/dbraw/zinc/68/41/07/431684107.db2.gz QZHOCCVOHKSIJN-NNIGNNQHSA-N 2 0 300.446 2.884 20 0 DFADRP Fc1cccc(N2CCC[C@H]([NH2+][C@@H]3CC[C@H]4C[NH2+]C[C@@H]4C3)C2)c1 ZINC000647786577 431684388 /nfs/dbraw/zinc/68/43/88/431684388.db2.gz SFUQBOSTGZKOBG-ONIAQPFYSA-N 2 0 317.452 2.772 20 0 DFADRP COc1ccc2[nH]cc(CC[NH2+][C@@H]3CC[C@@H]4C[NH2+]C[C@H]4C3)c2c1 ZINC000647785605 431684456 /nfs/dbraw/zinc/68/44/56/431684456.db2.gz CAYKPBFQQZTARK-FVQBIDKESA-N 2 0 313.445 2.697 20 0 DFADRP CCO[C@@H]1C[C@@H]([NH2+]CCC2CC[NH2+]CC2)[C@H]1Oc1ccccc1 ZINC000650762865 431685001 /nfs/dbraw/zinc/68/50/01/431685001.db2.gz MPJRKJUHNHQFCC-GUDVDZBRSA-N 2 0 318.461 2.591 20 0 DFADRP CC(C)(C)c1csc(CC[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)n1 ZINC000647786435 431685147 /nfs/dbraw/zinc/68/51/47/431685147.db2.gz PADVXBKRHMYAJZ-HZSPNIEDSA-N 2 0 307.507 2.961 20 0 DFADRP COc1cccc(C[C@@H]([NH2+]CCC2CC[NH2+]CC2)C2CC2)c1 ZINC000650763266 431685200 /nfs/dbraw/zinc/68/52/00/431685200.db2.gz WFPFDWOQQAAJCG-LJQANCHMSA-N 2 0 302.462 2.996 20 0 DFADRP CCO[C@@H]1C[C@@H]([NH2+]CCC2CC[NH2+]CC2)[C@@H]1Oc1ccccc1 ZINC000650762868 431685308 /nfs/dbraw/zinc/68/53/08/431685308.db2.gz MPJRKJUHNHQFCC-QRVBRYPASA-N 2 0 318.461 2.591 20 0 DFADRP Brc1ccccc1CC[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000647788840 431686632 /nfs/dbraw/zinc/68/66/32/431686632.db2.gz SJJLSMCXGULWOR-RRFJBIMHSA-N 2 0 323.278 2.969 20 0 DFADRP CC(C)C(=O)Nc1ccc(C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000647788946 431687782 /nfs/dbraw/zinc/68/77/82/431687782.db2.gz VTVQWGXGVBUCMX-JFIYKMOQSA-N 2 0 315.461 2.759 20 0 DFADRP c1cc(C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)cc(C[NH+]2CCCC2)c1 ZINC000647788910 431688347 /nfs/dbraw/zinc/68/83/47/431688347.db2.gz VGHRDNOXFFUXQU-HSALFYBXSA-N 3 0 313.489 2.760 20 0 DFADRP Cn1cc(CC[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)c2ccc(F)cc21 ZINC000647795830 431689259 /nfs/dbraw/zinc/68/92/59/431689259.db2.gz XSOGXZDPWWOGDQ-JLJPHGGASA-N 2 0 315.436 2.838 20 0 DFADRP COc1c2ccccc2oc1C[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000647795892 431689469 /nfs/dbraw/zinc/68/94/69/431689469.db2.gz YWCWJYQTEAQNQY-MGPQQGTHSA-N 2 0 300.402 2.919 20 0 DFADRP COc1cccc(C(C)(C)C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000647793883 431689821 /nfs/dbraw/zinc/68/98/21/431689821.db2.gz KUURDHREWOFYFZ-YQQAZPJKSA-N 2 0 302.462 2.951 20 0 DFADRP OCC[C@H]([NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)c1ccc(Cl)cc1 ZINC000647796737 431691063 /nfs/dbraw/zinc/69/10/63/431691063.db2.gz LPGSVSOEGDTNTB-WTTBNOFXSA-N 2 0 308.853 2.741 20 0 DFADRP c1ccc2c(c1)O[C@H](CC[NH2+][C@@H]1CC[C@@H]3C[NH2+]C[C@H]3C1)CS2 ZINC000647801115 431691564 /nfs/dbraw/zinc/69/15/64/431691564.db2.gz OGGYKVISFJMPMF-KLHDSHLOSA-N 2 0 318.486 2.908 20 0 DFADRP COc1cccc(C2(C[NH2+][C@@H]3CC[C@H]4C[NH2+]C[C@H]4C3)CC2)c1 ZINC000647797801 431691978 /nfs/dbraw/zinc/69/19/78/431691978.db2.gz CLILGHCCXHMTNB-ZMSDIMECSA-N 2 0 300.446 2.705 20 0 DFADRP Fc1ccc(OCC[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)cc1Cl ZINC000647797817 431692562 /nfs/dbraw/zinc/69/25/62/431692562.db2.gz CTKCTQBGXXFSND-YNEHKIRRSA-N 2 0 312.816 2.836 20 0 DFADRP C[C@@H]1SCC[C@@H]1[NH2+][C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000647804658 431694765 /nfs/dbraw/zinc/69/47/65/431694765.db2.gz WWFUDAHUWLUJIP-NZUILWFCSA-N 2 0 304.459 2.726 20 0 DFADRP OCCN1CCC[C@H]([NH2+]Cc2cccc(C3CCCC3)c2)C1 ZINC000657352489 431696333 /nfs/dbraw/zinc/69/63/33/431696333.db2.gz WAXJXYCGWRYNMP-IBGZPJMESA-N 2 0 302.462 2.891 20 0 DFADRP CC[C@@H]1CCC[C@H]([NH2+]C2CCN(CCC(=O)N(C)C)CC2)CC1 ZINC000657359717 431700884 /nfs/dbraw/zinc/70/08/84/431700884.db2.gz XOQCGUSYIIUVNB-SJORKVTESA-N 2 0 323.525 2.878 20 0 DFADRP CC[C@@H]1C[C@@H]([NH2+]CC2(N3CCSCC3)CCCCC2)CO1 ZINC000657369439 431707024 /nfs/dbraw/zinc/70/70/24/431707024.db2.gz GDIYLHVKRPUNAV-HZPDHXFCSA-N 2 0 312.523 2.895 20 0 DFADRP C[C@H]([NH3+])[C@@H]1CN(CCCOc2ccc(C(C)(C)C)cc2)CCO1 ZINC000647861893 431712082 /nfs/dbraw/zinc/71/20/82/431712082.db2.gz JGFCNZIJDNIFFK-YJBOKZPZSA-N 2 0 320.477 2.801 20 0 DFADRP C[C@@H]([NH3+])[C@@H]1CN(CCCSc2ccccc2Cl)CCO1 ZINC000647863586 431712462 /nfs/dbraw/zinc/71/24/62/431712462.db2.gz FNYVPKGOLLBNBE-OCCSQVGLSA-N 2 0 314.882 2.870 20 0 DFADRP [NH3+]Cc1ccc(C[NH2+]Cc2ccc(N3CCCC3)nc2)c(F)c1 ZINC000650717887 431663403 /nfs/dbraw/zinc/66/34/03/431663403.db2.gz PUUGIJCQGTVDQV-UHFFFAOYSA-N 2 0 314.408 2.569 20 0 DFADRP CCO[C@@H]1C[N@H+](Cc2cccc(-c3cccnc3)c2)C[C@H]1C[NH3+] ZINC000650715053 431663430 /nfs/dbraw/zinc/66/34/30/431663430.db2.gz NEFCYULJRVUCFY-RTBURBONSA-N 2 0 311.429 2.544 20 0 DFADRP C[NH+](C)C1(CNC(=O)[C@@H]([NH3+])c2cccc(Cl)c2)CCCCC1 ZINC000647905951 431724096 /nfs/dbraw/zinc/72/40/96/431724096.db2.gz DIIRQCFXRWNYDY-HNNXBMFYSA-N 2 0 323.868 2.721 20 0 DFADRP COc1ccc(OCCC[N@@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)cc1 ZINC000647901736 431724378 /nfs/dbraw/zinc/72/43/78/431724378.db2.gz UOUBRQMOKABDBB-APWZRJJASA-N 2 0 318.461 2.928 20 0 DFADRP Cc1cc(C[NH+]2CCC(OCC[NH+]3CCCC3)CC2)sn1 ZINC000647911099 431725462 /nfs/dbraw/zinc/72/54/62/431725462.db2.gz QREBMRNIUSJYKJ-UHFFFAOYSA-N 2 0 309.479 2.528 20 0 DFADRP CC(C)(O)C[NH+]1CCC([NH2+][C@@H]2CCOC3(CCCCC3)C2)CC1 ZINC000647909523 431727036 /nfs/dbraw/zinc/72/70/36/431727036.db2.gz UUKXJEKCCHKNAM-QGZVFWFLSA-N 2 0 324.509 2.693 20 0 DFADRP Cn1ncc(C2CCC2)c1C[NH2+]C1CCC(C[NH+](C)C)CC1 ZINC000657413383 431734296 /nfs/dbraw/zinc/73/42/96/431734296.db2.gz AITPCCXODKBCIJ-UHFFFAOYSA-N 2 0 304.482 2.898 20 0 DFADRP CC1CC[NH+](C2CCC([NH2+]Cc3cnc4n3CCC4)CC2)CC1 ZINC000657416097 431734572 /nfs/dbraw/zinc/73/45/72/431734572.db2.gz QJFRWVPFCGRRCX-UHFFFAOYSA-N 2 0 316.493 2.962 20 0 DFADRP CC[C@H]1C[N@H+](CCC(=O)Nc2ccccc2SC)CC[C@H]1[NH3+] ZINC000647938302 431739911 /nfs/dbraw/zinc/73/99/11/431739911.db2.gz JHRVZKJKPXMLSW-UONOGXRCSA-N 2 0 321.490 2.796 20 0 DFADRP CCN(C(=O)Nc1cccc(C[NH+](C)C)c1)[C@@H]1CC[N@H+](CC)C1 ZINC000664340422 431740289 /nfs/dbraw/zinc/74/02/89/431740289.db2.gz IODSBDHWKGSLHH-QGZVFWFLSA-N 2 0 318.465 2.696 20 0 DFADRP CC(C)C[C@@H]1C[C@@H]([NH2+]Cc2ccnn2-c2cc[nH+]cc2)CCO1 ZINC000657427855 431743115 /nfs/dbraw/zinc/74/31/15/431743115.db2.gz GREPLPKJGLCGDP-MAUKXSAKSA-N 2 0 314.433 2.951 20 0 DFADRP CC[N@H+](C)C[C@@H](O)C[NH+]1CCC(CCc2ccc(C)cc2)CC1 ZINC000647956510 431745997 /nfs/dbraw/zinc/74/59/97/431745997.db2.gz WJQHFROYCWYHKW-HXUWFJFHSA-N 2 0 318.505 2.952 20 0 DFADRP Cc1cccc(C)c1[C@H]1CCC[N@H+]1C[C@@H](O)CN(C)C1CC1 ZINC000661137533 431746598 /nfs/dbraw/zinc/74/65/98/431746598.db2.gz QEQDEKHEBJACFS-ZWKOTPCHSA-N 2 0 302.462 2.895 20 0 DFADRP C[C@H]([NH2+]Cc1cnn2c1CCC2)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000657429192 431747378 /nfs/dbraw/zinc/74/73/78/431747378.db2.gz DSOJNRWBWHSJPJ-WMZOPIPTSA-N 2 0 324.472 2.830 20 0 DFADRP Cc1ncc(C[NH2+][C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)n1C ZINC000657433654 431750100 /nfs/dbraw/zinc/75/01/00/431750100.db2.gz YDAPEQSHEBEXJB-DFQSSKMNSA-N 2 0 324.472 2.729 20 0 DFADRP Cc1cccc2[nH]c(C[NH2+][C@H](C)CCN3CC[NH+](C)CC3)cc21 ZINC000657439178 431753802 /nfs/dbraw/zinc/75/38/02/431753802.db2.gz WEVCVBUEQOZFLS-MRXNPFEDSA-N 2 0 314.477 2.592 20 0 DFADRP COCc1csc(C[NH2+][C@H]2CCO[C@@H](c3cncn3C)C2)c1 ZINC000657444184 431757114 /nfs/dbraw/zinc/75/71/14/431757114.db2.gz UCSXHUCFDRPMMO-XJKSGUPXSA-N 2 0 321.446 2.638 20 0 DFADRP Cc1ccccc1NC(=O)C[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647975187 431760875 /nfs/dbraw/zinc/76/08/75/431760875.db2.gz PCHPANYCNQDHKK-IAGOWNOFSA-N 2 0 315.461 2.645 20 0 DFADRP Cc1ccccc1NC(=O)C[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647975186 431761079 /nfs/dbraw/zinc/76/10/79/431761079.db2.gz PCHPANYCNQDHKK-DLBZAZTESA-N 2 0 315.461 2.645 20 0 DFADRP C[C@H](C(=O)NC1CCCCC1)[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647976908 431762717 /nfs/dbraw/zinc/76/27/17/431762717.db2.gz VYDFFCFDQHXQQX-IXDOHACOSA-N 2 0 321.509 2.535 20 0 DFADRP CCC[C@@H](C)NC(=O)[C@@H]1CCC[N@H+](CCCC2CC[NH2+]CC2)C1 ZINC000647883383 431715844 /nfs/dbraw/zinc/71/58/44/431715844.db2.gz MUFCMGWAATWTLY-SJLPKXTDSA-N 2 0 323.525 2.783 20 0 DFADRP CCO[C@@H](CC[NH2+]Cc1ccnn1-c1cc[nH+]cc1)C(C)C ZINC000657384919 431717493 /nfs/dbraw/zinc/71/74/93/431717493.db2.gz VWFMTIVAGANRLT-KRWDZBQOSA-N 2 0 302.422 2.808 20 0 DFADRP CCO[C@H](CC[NH+](C)C)C[NH2+]Cc1ccc(F)c(F)c1F ZINC000657388804 431720347 /nfs/dbraw/zinc/72/03/47/431720347.db2.gz GKTZUBBGMAOJKZ-GFCCVEGCSA-N 2 0 304.356 2.550 20 0 DFADRP c1ccc(OCCOCC[N@@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)cc1 ZINC000647901493 431723058 /nfs/dbraw/zinc/72/30/58/431723058.db2.gz PTBLMONZFCHGPW-MJGOQNOKSA-N 2 0 318.461 2.546 20 0 DFADRP Fc1cccc(C[NH2+]CC2CC[NH+](C3CCOCC3)CC2)c1F ZINC000657534671 431800549 /nfs/dbraw/zinc/80/05/49/431800549.db2.gz CFZWJINWJSBKAR-UHFFFAOYSA-N 2 0 324.415 2.945 20 0 DFADRP Fc1ccccc1C[NH2+]CC1CC[NH+](C2CCOCC2)CC1 ZINC000657536000 431800861 /nfs/dbraw/zinc/80/08/61/431800861.db2.gz DRIDVPHHJNOQHI-UHFFFAOYSA-N 2 0 306.425 2.806 20 0 DFADRP C[C@@H](CCc1cccc(F)c1)[N@@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000648072119 431807425 /nfs/dbraw/zinc/80/74/25/431807425.db2.gz MKDYXQXWUJXWCZ-INIZCTEOSA-N 2 0 320.452 2.943 20 0 DFADRP CCc1nc2ccccc2n1C1CC[NH+](C[C@@H]2CC[NH2+]C2)CC1 ZINC000647989927 431766864 /nfs/dbraw/zinc/76/68/64/431766864.db2.gz FIQJXZBYEYVWMZ-OAHLLOKOSA-N 2 0 312.461 2.845 20 0 DFADRP c1cc(C[NH2+]CCCCC[NH+]2CCCC2)n(-c2cc[nH+]cc2)n1 ZINC000657474475 431770954 /nfs/dbraw/zinc/77/09/54/431770954.db2.gz KOZVWROLFYFZGL-UHFFFAOYSA-N 3 0 313.449 2.623 20 0 DFADRP c1cc(C[NH2+]C[C@@H]2CCOC3(CCC3)C2)n(-c2cc[nH+]cc2)n1 ZINC000657479761 431774117 /nfs/dbraw/zinc/77/41/17/431774117.db2.gz NNXOMFATBCPYCG-OAHLLOKOSA-N 2 0 312.417 2.706 20 0 DFADRP COC[C@@H](C)Oc1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc1 ZINC000657483240 431778141 /nfs/dbraw/zinc/77/81/41/431778141.db2.gz NHUBAYRAMJSJGG-CCNLRDMRSA-N 2 0 318.461 2.815 20 0 DFADRP c1cc(C[NH2+]CCOCC2CCCC2)n(-c2cc[nH+]cc2)n1 ZINC000657486440 431779019 /nfs/dbraw/zinc/77/90/19/431779019.db2.gz AKARMXXAZOVSQV-UHFFFAOYSA-N 2 0 300.406 2.564 20 0 DFADRP c1nc(C[NH2+]CC2CC[NH+](Cc3ccncc3)CC2)cs1 ZINC000657612777 431824719 /nfs/dbraw/zinc/82/47/19/431824719.db2.gz ROYONISAGNDOMF-UHFFFAOYSA-N 2 0 302.447 2.540 20 0 DFADRP Oc1cccc(C[NH2+]CC2CC[NH+](Cc3ccncc3)CC2)c1 ZINC000657612692 431825242 /nfs/dbraw/zinc/82/52/42/431825242.db2.gz PFESJCZWFNMZNL-UHFFFAOYSA-N 2 0 311.429 2.789 20 0 DFADRP CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)C1CCC([NH3+])CC1 ZINC000648152337 431827088 /nfs/dbraw/zinc/82/70/88/431827088.db2.gz ORYLORGHQSPNFJ-UHFFFAOYSA-N 2 0 317.477 2.614 20 0 DFADRP c1ccc([C@@H]2CO[C@H](C[NH2+][C@H]3CC[N@@H+]4CCC[C@@H]4C3)C2)cc1 ZINC000657657130 431834225 /nfs/dbraw/zinc/83/42/25/431834225.db2.gz WBMDWUHOMFLKGH-OKYOBFRVSA-N 2 0 300.446 2.776 20 0 DFADRP C[C@H]1CCC[C@H](C[NH2+]Cc2ccc(OCC[NH+](C)C)cc2)O1 ZINC000657662622 431834531 /nfs/dbraw/zinc/83/45/31/431834531.db2.gz DKHBPRKISPJWCG-MAUKXSAKSA-N 2 0 306.450 2.674 20 0 DFADRP Cc1ccc2c(c1)[C@@H]([NH2+]CCCN1CCC[N@H+](C)CC1)[C@H](C)C2 ZINC000180468008 281091911 /nfs/dbraw/zinc/09/19/11/281091911.db2.gz DXVBDXTYJKCFDY-XLIONFOSSA-N 2 0 315.505 2.846 20 0 DFADRP Cc1cccc2c1[nH+]cc(C)c2N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000375880271 281308120 /nfs/dbraw/zinc/30/81/20/281308120.db2.gz MCUWJIQFCZORKA-MRXNPFEDSA-N 2 0 311.429 2.763 20 0 DFADRP Cc1ccnc([C@H](C)[NH2+]CCCC[NH+]2C[C@@H](C)O[C@H](C)C2)c1 ZINC000286207855 281476422 /nfs/dbraw/zinc/47/64/22/281476422.db2.gz RXLIYWKRAWNWJN-ZACQAIPSSA-N 2 0 305.466 2.930 20 0 DFADRP CCC(C)(C)[NH2+][C@@H](C)C(=O)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000356821713 282006373 /nfs/dbraw/zinc/00/63/73/282006373.db2.gz KVQUIMNDJYMCJA-JKSUJKDBSA-N 2 0 309.498 2.630 20 0 DFADRP C[NH+](C)C[C@](C)(O)C[NH2+][C@@H]1CCC[C@H]1c1ccc(Cl)cc1 ZINC000378399069 289222814 /nfs/dbraw/zinc/22/28/14/289222814.db2.gz GXLLRUATYCRMAV-GVDBMIGSSA-N 2 0 310.869 2.878 20 0 DFADRP C[C@H](C(=O)N1CCC[C@@H]([NH+]2CCCC2)CC1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000247451393 289272663 /nfs/dbraw/zinc/27/26/63/289272663.db2.gz ZDVVPEJALHRUHY-XMTFNYHQSA-N 2 0 321.509 2.725 20 0 DFADRP C[C@H](C(=O)NC1CC1)[NH+]1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000357015201 289344272 /nfs/dbraw/zinc/34/42/72/289344272.db2.gz OVFURNXWNKZGNE-JKSUJKDBSA-N 2 0 321.509 2.630 20 0 DFADRP C[C@H](C(=O)N[C@@H](C)C[NH+]1CCCCCC1)[NH+]1CCCCCC1 ZINC000359322117 289358884 /nfs/dbraw/zinc/35/88/84/289358884.db2.gz NCCPRPCLPVDCMR-DLBZAZTESA-N 2 0 309.498 2.632 20 0 DFADRP C[C@H](C[NH2+][C@@H]1CCSc2ccccc21)CN1CC[NH+](C)CC1 ZINC000120859056 289694185 /nfs/dbraw/zinc/69/41/85/289694185.db2.gz MOHCJAAWXQKTOB-NVXWUHKLSA-N 2 0 319.518 2.697 20 0 DFADRP C[C@H]([NH2+][C@@H]1CCN(C2CC[NH+](C)CC2)C1)c1cc(F)cc(F)c1 ZINC000370636665 290017666 /nfs/dbraw/zinc/01/76/66/290017666.db2.gz SBIOSZOEDJSYPW-SUMWQHHRSA-N 2 0 323.431 2.784 20 0 DFADRP C[C@H]([NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccc([S@@](C)=O)cc1 ZINC000268766997 290019114 /nfs/dbraw/zinc/01/91/14/290019114.db2.gz JTFYFMRKPLXUGH-WRUKREGBSA-N 2 0 306.475 2.701 20 0 DFADRP C[N@@H+]1CC[C@H]([NH2+][C@@H]2CCOC3(CCSCC3)C2)[C@@H]2CCC[C@H]21 ZINC000353635274 290224546 /nfs/dbraw/zinc/22/45/46/290224546.db2.gz ZJMLAYUHIPFFIA-LTIDMASMSA-N 2 0 324.534 2.894 20 0 DFADRP CCOc1ncccc1C[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000436469058 297004376 /nfs/dbraw/zinc/00/43/76/297004376.db2.gz UBYRSBFOILDRAL-UHFFFAOYSA-N 2 0 312.417 2.634 20 0 DFADRP CO[C@@H]1[C@H](C)[C@@H]([NH2+]CC2(SC)CC[NH+](C)CC2)C12CCC2 ZINC000353627563 294004498 /nfs/dbraw/zinc/00/44/98/294004498.db2.gz LELCFFWLJAMJOY-RBSFLKMASA-N 2 0 312.523 2.607 20 0 DFADRP C[C@@H]1C[N@@H+]([C@@H]2C[C@@H]2c2ccccc2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000361348301 297072440 /nfs/dbraw/zinc/07/24/40/297072440.db2.gz JIDJWBGVDUFDBL-RSPOEFSDSA-N 2 0 313.489 2.500 20 0 DFADRP C[N@H+](CC[C@@H]1CCOC1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000438112029 297080776 /nfs/dbraw/zinc/08/07/76/297080776.db2.gz YCFXZFIMGGMXDU-MOPGFXCFSA-N 2 0 302.462 2.867 20 0 DFADRP C[C@@H]1C[NH+](CCC2CC[NH+](CC[C@H]3CCOC3)CC2)C[C@@H](C)O1 ZINC000438114856 297080981 /nfs/dbraw/zinc/08/09/81/297080981.db2.gz PIWMBTMGLSAVLN-LMMKCTJWSA-N 2 0 324.509 2.624 20 0 DFADRP CC[NH+](CC)C[C@@H]1CCCC[C@H]1NC(=O)CC[C@H]1CCC[NH2+]1 ZINC000494671198 299878789 /nfs/dbraw/zinc/87/87/89/299878789.db2.gz BZLYYFIOFPELMF-GVDBMIGSSA-N 2 0 309.498 2.535 20 0 DFADRP C(=C\c1ccncc1)\C[NH+]1CCC(OCC[NH+]2CCCC2)CC1 ZINC000494970068 299894034 /nfs/dbraw/zinc/89/40/34/299894034.db2.gz BWCXWPGPKFIQJB-ARJAWSKDSA-N 2 0 315.461 2.672 20 0 DFADRP COc1ccc(CC[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)cc1OC ZINC000261842237 295121548 /nfs/dbraw/zinc/12/15/48/295121548.db2.gz YUSUUZGJBOSKCQ-ZACQAIPSSA-N 2 0 318.461 2.757 20 0 DFADRP [NH3+]C1(C(=O)NCc2ccc(C[NH+]3CCCCCC3)cc2)CCC1 ZINC000295952150 295203576 /nfs/dbraw/zinc/20/35/76/295203576.db2.gz HDWRQWCFLXVFKV-UHFFFAOYSA-N 2 0 315.461 2.560 20 0 DFADRP CCO[C@@H](CC[NH+](C)C)C[NH2+][C@H](C)c1ccc(F)c(OC)c1 ZINC000154184774 295294017 /nfs/dbraw/zinc/29/40/17/295294017.db2.gz YRASRIMEWMMLSY-HIFRSBDPSA-N 2 0 312.429 2.842 20 0 DFADRP CC(C)[C@H](CCc1ccccc1)[NH2+][C@H](C)CN1CC[NH+](C)CC1 ZINC000155081442 295312528 /nfs/dbraw/zinc/31/25/28/295312528.db2.gz KQXYPDKIAYAIBQ-QUCCMNQESA-N 2 0 317.521 2.869 20 0 DFADRP CCc1ccc([C@H](C)[NH2+]C[C@@H](C)N2CC[NH+](CC)CC2)cc1 ZINC000155581796 295321181 /nfs/dbraw/zinc/32/11/81/295321181.db2.gz VIFHUWSBKHQAIG-SJORKVTESA-N 2 0 303.494 2.926 20 0 DFADRP C[C@@H]1C[C@@H](NC2CC[NH+](C3CCCCC3)CC2)C[N@@H+]1C1CC1 ZINC000157547673 295349835 /nfs/dbraw/zinc/34/98/35/295349835.db2.gz YOVJSIVZEPOSLO-NVXWUHKLSA-N 2 0 305.510 2.998 20 0 DFADRP CCC[C@@H]([NH2+]C[C@H](C(C)C)N1CC[NH+](C)CC1)c1ccccn1 ZINC000158589924 295364900 /nfs/dbraw/zinc/36/49/00/295364900.db2.gz ZQXAAMZOXYPKCO-IEBWSBKVSA-N 2 0 318.509 2.784 20 0 DFADRP CC(C)CC[C@@H]([NH2+][C@H]1CCN(C2CC[NH+](C)CC2)C1)C1CC1 ZINC000374701991 295474428 /nfs/dbraw/zinc/47/44/28/295474428.db2.gz MWGBLJRRLBNSKX-PKOBYXMFSA-N 2 0 307.526 2.959 20 0 DFADRP CC[NH+](CC)Cc1ccccc1CNC(=O)[C@H]1CCC[NH2+][C@@H]1C ZINC000395298300 295483204 /nfs/dbraw/zinc/48/32/04/295483204.db2.gz OGWUXEYKXBIATB-QAPCUYQASA-N 2 0 317.477 2.533 20 0 DFADRP C[C@@H]1CCC[C@@H]1[NH2+]CC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000397499181 295487826 /nfs/dbraw/zinc/48/78/26/295487826.db2.gz UISMOQIGSUQZJA-AEFFLSMTSA-N 2 0 302.462 2.792 20 0 DFADRP [NH3+]C[C@@H]1CCC[C@H]1[NH2+]CC1CC[NH+](Cc2ccccc2)CC1 ZINC000397636185 295488186 /nfs/dbraw/zinc/48/81/86/295488186.db2.gz PZKPHRXUWIHJQB-RBUKOAKNSA-N 3 0 301.478 2.616 20 0 DFADRP CC[NH+](CC)Cc1ccccc1CNC(=O)[C@@H](C(C)C)[C@@H](C)[NH3+] ZINC000399399750 295495790 /nfs/dbraw/zinc/49/57/90/295495790.db2.gz WAOCEKWPQMTYHE-QAPCUYQASA-N 2 0 319.493 2.764 20 0 DFADRP CC(C)[C@H](C(=O)NCC1([NH+]2CCCCC2)CCCCC1)[C@@H](C)[NH3+] ZINC000399391458 295495880 /nfs/dbraw/zinc/49/58/80/295495880.db2.gz SNCPFTMSNGQZNB-SJORKVTESA-N 2 0 323.525 2.911 20 0 DFADRP CC(C)[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH+]2C2CCCC2)C1 ZINC000438567816 297099074 /nfs/dbraw/zinc/09/90/74/297099074.db2.gz OIZVTBVDGZKFIB-WMZOPIPTSA-N 2 0 321.509 2.630 20 0 DFADRP CC[N@H+](Cc1ccc(C(=O)NCC[NH2+]C(C)(C)C)cc1)C1CC1 ZINC000439503841 297129514 /nfs/dbraw/zinc/12/95/14/297129514.db2.gz ZWMQFWWMMOERII-UHFFFAOYSA-N 2 0 317.477 2.789 20 0 DFADRP CC[NH+]1CCC(CCNC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC000439963702 297141326 /nfs/dbraw/zinc/14/13/26/297141326.db2.gz VFFPPWLNIXSLFP-SFHVURJKSA-N 2 0 321.509 2.632 20 0 DFADRP CC[NH+](CC)C[C@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC000440256782 297148901 /nfs/dbraw/zinc/14/89/01/297148901.db2.gz CXQBIKJQWSCHBY-AEFFLSMTSA-N 2 0 321.509 2.584 20 0 DFADRP CC[C@H](F)C[NH+]1CCC(CC[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000440777285 297164409 /nfs/dbraw/zinc/16/44/09/297164409.db2.gz UHVKKNKWCTUAQN-ZOBUZTSGSA-N 2 0 300.462 2.946 20 0 DFADRP CC[NH+]1CCC(CC[NH2+]Cc2cc(C(F)(F)F)n[nH]2)CC1 ZINC000440814182 297165982 /nfs/dbraw/zinc/16/59/82/297165982.db2.gz CNFFYWBUJWJCIK-UHFFFAOYSA-N 2 0 304.360 2.640 20 0 DFADRP C[N@@H+]1CCN(CC[NH2+]Cc2coc3ccccc23)CC1(C)C ZINC000441332507 297180090 /nfs/dbraw/zinc/18/00/90/297180090.db2.gz QLBBWSNGJHGSGV-UHFFFAOYSA-N 2 0 301.434 2.548 20 0 DFADRP CC(C)[C@H](C(=O)NC1CCC(C[NH+](C)C)CC1)[NH+]1CCCCC1 ZINC000442194447 297192705 /nfs/dbraw/zinc/19/27/05/297192705.db2.gz CQJFCJHLQVTISU-DAWZGUTISA-N 2 0 323.525 2.734 20 0 DFADRP CC(C)[C@H](C[NH2+]C1CCC(C(F)F)CC1)N1CC[NH+](C)CC1 ZINC000442710409 297202246 /nfs/dbraw/zinc/20/22/46/297202246.db2.gz CNCONMACCAKJML-GPANFISMSA-N 2 0 317.468 2.672 20 0 DFADRP C[C@@H](CCCC(F)(F)F)[NH2+]CCN1CC[N@H+](C)C(C)(C)C1 ZINC000442877486 297209242 /nfs/dbraw/zinc/20/92/42/297209242.db2.gz URLQZPSBLREVIE-ZDUSSCGKSA-N 2 0 309.420 2.723 20 0 DFADRP CC[C@H]([NH2+]CCN1CC[N@H+](C)C(C)(C)C1)c1ccccc1OC ZINC000442875240 297209344 /nfs/dbraw/zinc/20/93/44/297209344.db2.gz NOMASVLBNQXQDZ-KRWDZBQOSA-N 2 0 319.493 2.762 20 0 DFADRP [NH3+]CC[C@@H]1CCC[N@H+](Cc2nn(-c3ccccc3)c3c2CCC3)C1 ZINC000443055732 297213559 /nfs/dbraw/zinc/21/35/59/297213559.db2.gz BMOYRRYDZMLSNZ-INIZCTEOSA-N 2 0 324.472 2.922 20 0 DFADRP CSc1ccccc1NC(=O)[C@H](C)[N@@H+]1CCC[C@H](CC[NH3+])C1 ZINC000443058077 297213795 /nfs/dbraw/zinc/21/37/95/297213795.db2.gz JAEDOUACMNGOEK-UONOGXRCSA-N 2 0 321.490 2.796 20 0 DFADRP [NH3+]CC[C@H]1CCC[N@H+](CC(=O)NCCCC2CCCCC2)C1 ZINC000443060631 297214422 /nfs/dbraw/zinc/21/44/22/297214422.db2.gz PKDPOWOUQQEGSB-QGZVFWFLSA-N 2 0 309.498 2.524 20 0 DFADRP Cc1ccc(NC(=O)[C@H](C)[N@@H+]2CCC[C@@H](CC[NH3+])C2)cc1C ZINC000443061952 297214506 /nfs/dbraw/zinc/21/45/06/297214506.db2.gz SOWLMBTWVLSRKO-HOTGVXAUSA-N 2 0 303.450 2.691 20 0 DFADRP [NH3+]CC[C@H]1CCC[N@@H+]([C@@H]2CCN(c3cccc(Cl)c3)C2=O)C1 ZINC000443075146 297215382 /nfs/dbraw/zinc/21/53/82/297215382.db2.gz QYPCDGYSZJWZHV-CZUORRHYSA-N 2 0 321.852 2.506 20 0 DFADRP Cc1ccccc1-c1nc(CN2CCC[C@@H](CC[NH3+])C2)no1 ZINC000443079357 297215738 /nfs/dbraw/zinc/21/57/38/297215738.db2.gz ZGFNMKMIFLMZEH-AWEZNQCLSA-N 2 0 300.406 2.606 20 0 DFADRP CC[N@H+](CC(=O)NC1CC[NH+](C2CC2)CC1)[C@@H]1CCCC[C@H]1C ZINC000444670161 297244124 /nfs/dbraw/zinc/24/41/24/297244124.db2.gz FIIUEDKABDVIHX-CRAIPNDOSA-N 2 0 321.509 2.630 20 0 DFADRP CCOC1CC(O)(C[NH2+]C2CC[NH+]([C@H]3CCC[C@H](C)C3)CC2)C1 ZINC000446850380 297288741 /nfs/dbraw/zinc/28/87/41/297288741.db2.gz YPKOBHMBAXJYNL-FLODPWGTSA-N 2 0 324.509 2.549 20 0 DFADRP CCC[C@@]1(CO)CCC[N@@H+]1Cc1cn(-c2cc[nH+]cc2)nc1C ZINC000446906807 297290040 /nfs/dbraw/zinc/29/00/40/297290040.db2.gz RQTYXVRKVQTECZ-SFHVURJKSA-N 2 0 314.433 2.703 20 0 DFADRP C[NH+](C)CCOCC[NH2+][C@@H]1CCCOc2cc(Cl)ccc21 ZINC000447597653 297310041 /nfs/dbraw/zinc/31/00/41/297310041.db2.gz SYXRIIVFYXUIAC-OAHLLOKOSA-N 2 0 312.841 2.722 20 0 DFADRP C[C@H](O)C[C@H](C)[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000447603794 297310773 /nfs/dbraw/zinc/31/07/73/297310773.db2.gz XSRTWAQJFREQBA-JAQSECSASA-N 2 0 302.462 2.931 20 0 DFADRP C[NH+](C)Cc1ccc(-c2noc(C[C@@H]3CCCC[C@@H]3[NH3+])n2)cc1 ZINC000448546875 297341792 /nfs/dbraw/zinc/34/17/92/297341792.db2.gz OUAMUIOYPLDKLS-HOTGVXAUSA-N 2 0 314.433 2.858 20 0 DFADRP CCCC[N@H+](C)CC1CC[NH+](Cc2c(C)nnn2CC)CC1 ZINC000449007720 297389986 /nfs/dbraw/zinc/38/99/86/297389986.db2.gz AZPWNDZNXGOPRY-UHFFFAOYSA-N 2 0 307.486 2.550 20 0 DFADRP Cc1cccc(CC[NH+]2CCC(C[NH+]3CCOCC3)CC2)c1 ZINC000449009864 297390343 /nfs/dbraw/zinc/39/03/43/297390343.db2.gz JNFAAFLPZBKBBI-UHFFFAOYSA-N 2 0 302.462 2.582 20 0 DFADRP C[C@@H](CCCO)[NH2+]C1CC[NH+]([C@@H](C)Cc2ccccc2)CC1 ZINC000449184001 297419190 /nfs/dbraw/zinc/41/91/90/297419190.db2.gz FDFIRECTZPLFIQ-IRXDYDNUSA-N 2 0 304.478 2.833 20 0 DFADRP C[C@H]1NC(=O)CC[C@H]1[NH2+]C1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC000449300741 297440554 /nfs/dbraw/zinc/44/05/54/297440554.db2.gz FKLBNTYXGBYRCN-GDBMZVCRSA-N 2 0 323.525 2.922 20 0 DFADRP CC[C@@H](C)[C@@H](C[NH2+]Cc1cn(-c2cc[nH+]cc2)nc1C)OC ZINC000449403097 297459494 /nfs/dbraw/zinc/45/94/94/297459494.db2.gz OHOGNURWQROTGP-CXAGYDPISA-N 2 0 302.422 2.726 20 0 DFADRP C[C@H](c1ccccc1)[C@@H](O)C[NH+]1CCC(CC[NH+](C)C)CC1 ZINC000450290328 297607817 /nfs/dbraw/zinc/60/78/17/297607817.db2.gz UCXFFNDZVJOXCT-APWZRJJASA-N 2 0 304.478 2.815 20 0 DFADRP CC[NH+]1CCN(CC(C)(C)[NH2+]CCCCOC(C)(C)C)CC1 ZINC000451975882 297907910 /nfs/dbraw/zinc/90/79/10/297907910.db2.gz AIHXSDWNPUBBRG-UHFFFAOYSA-N 2 0 313.530 2.587 20 0 DFADRP CCC[C@@H]([NH2+]Cc1ccnc(N2CC[NH+](C)CC2)c1)C1CCC1 ZINC000453058018 298058094 /nfs/dbraw/zinc/05/80/94/298058094.db2.gz GLGOVAZDHHMFLS-GOSISDBHSA-N 2 0 316.493 2.892 20 0 DFADRP C[C@H](CCO)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H]2CCC[C@@H]21 ZINC000453108212 298062037 /nfs/dbraw/zinc/06/20/37/298062037.db2.gz JNKAHABANTXODC-OWYHZJEWSA-N 2 0 302.462 2.790 20 0 DFADRP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@H](C)c2csc(C)c2)CC1 ZINC000453111992 298062781 /nfs/dbraw/zinc/06/27/81/298062781.db2.gz SFSWPNVSAFFZAL-GDBMZVCRSA-N 2 0 309.523 2.981 20 0 DFADRP C[C@H](CN[C@@H]1CC[N@H+](Cc2ccccc2)[C@H]2CCC[C@@H]21)[NH+](C)C ZINC000453117706 298063806 /nfs/dbraw/zinc/06/38/06/298063806.db2.gz ZNQQIKQNXSKDQL-AFYVEPGGSA-N 2 0 315.505 2.969 20 0 DFADRP C[C@H](CN[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H]2CCC[C@H]21)[NH+](C)C ZINC000453117710 298064015 /nfs/dbraw/zinc/06/40/15/298064015.db2.gz ZNQQIKQNXSKDQL-GSEOLPGOSA-N 2 0 315.505 2.969 20 0 DFADRP C[C@H](O)CC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H]2CCC[C@@H]21 ZINC000453124710 298065110 /nfs/dbraw/zinc/06/51/10/298065110.db2.gz OWTZUMMTUIKCBY-AITUJVMLSA-N 2 0 302.462 2.790 20 0 DFADRP c1ccc(C[N@H+]2CC[C@H]([NH2+]CCN3CCC3)[C@@H]3CCC[C@@H]32)cc1 ZINC000453174786 298068681 /nfs/dbraw/zinc/06/86/81/298068681.db2.gz PAGMJJVZKLPERZ-UFYCRDLUSA-N 2 0 313.489 2.725 20 0 DFADRP COc1ccc2c(c1)C[C@@H]([NH2+]CC[C@H](C)[NH+]1CCCCC1)CO2 ZINC000453195956 298071034 /nfs/dbraw/zinc/07/10/34/298071034.db2.gz QJRXGGHCYBIYKR-DOTOQJQBSA-N 2 0 318.461 2.853 20 0 DFADRP C[C@H]1C[N@H+](C)CC[C@@H]1[NH2+]CCOc1ccc(F)c(Cl)c1 ZINC000453260200 298077619 /nfs/dbraw/zinc/07/76/19/298077619.db2.gz CSYKJZATJNSNNU-NHYWBVRUSA-N 2 0 300.805 2.788 20 0 DFADRP C[C@H]([NH2+]CC1=CCOCC1)c1cccc(OCC[NH+](C)C)c1 ZINC000453299982 298081179 /nfs/dbraw/zinc/08/11/79/298081179.db2.gz WNJQNMKFBONZJG-HNNXBMFYSA-N 2 0 304.434 2.624 20 0 DFADRP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]CCOc1ccc(Cl)c(F)c1 ZINC000453304181 298081606 /nfs/dbraw/zinc/08/16/06/298081606.db2.gz FHRBBKQJMNVVGZ-IAQYHMDHSA-N 2 0 300.805 2.788 20 0 DFADRP C[C@H]1C[N@H+](C)CC[C@@H]1[NH2+]CCOc1ccc(Cl)c(F)c1 ZINC000453304182 298081806 /nfs/dbraw/zinc/08/18/06/298081806.db2.gz FHRBBKQJMNVVGZ-NHYWBVRUSA-N 2 0 300.805 2.788 20 0 DFADRP C[N@H+](CCCC[NH2+]C1CCN(Cc2ccccn2)CC1)C1CC1 ZINC000453397823 298090022 /nfs/dbraw/zinc/09/00/22/298090022.db2.gz KAYGXUHBSABNLG-UHFFFAOYSA-N 2 0 316.493 2.510 20 0 DFADRP C[C@H]([NH2+]C[C@H]1CC[C@@H](C)O1)c1ccc(OCC[NH+](C)C)cc1 ZINC000453401793 298090656 /nfs/dbraw/zinc/09/06/56/298090656.db2.gz FCYKCPWVOBUVSK-RVKKMQEKSA-N 2 0 306.450 2.845 20 0 DFADRP CCOC(=O)C1(C)CCC([NH2+]CCCC[N@H+](C)C2CC2)CC1 ZINC000453406962 298090925 /nfs/dbraw/zinc/09/09/25/298090925.db2.gz RPTBUPNPUSWUHS-UHFFFAOYSA-N 2 0 310.482 2.962 20 0 DFADRP Cc1ccc(C[C@H](CO)[NH2+][C@@H]2CC[N@@H+](C)[C@H]3CCC[C@@H]32)cc1C ZINC000453455225 298097353 /nfs/dbraw/zinc/09/73/53/298097353.db2.gz UNANXVPYBQBFOW-WTGUMLROSA-N 2 0 316.489 2.669 20 0 DFADRP C[C@@H](c1cccc(N2CCOC2=O)c1)[N@H+](C)C[C@@H]1CCC[NH2+]C1 ZINC000496165180 300024627 /nfs/dbraw/zinc/02/46/27/300024627.db2.gz GXXZJMCJWSNJOE-LSDHHAIUSA-N 2 0 317.433 2.636 20 0 DFADRP C[C@H]([NH2+]CC[C@@H]1CCC[NH2+]C1)c1cccc(N2CCOC2=O)c1 ZINC000496220284 300031782 /nfs/dbraw/zinc/03/17/82/300031782.db2.gz WTXVNOPIBHQLNR-GJZGRUSLSA-N 2 0 317.433 2.684 20 0 DFADRP CC(C)(C)OC(=O)NC1CC([NH2+]C2CC[NH+](C3CCC3)CC2)C1 ZINC000496242209 300034817 /nfs/dbraw/zinc/03/48/17/300034817.db2.gz DCVARJUDHZNLHS-UHFFFAOYSA-N 2 0 323.481 2.649 20 0 DFADRP C[C@@H]([NH2+]C[C@H](C)C[NH+](C)C)[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000496419519 300060942 /nfs/dbraw/zinc/06/09/42/300060942.db2.gz QNCQAYULRLBABF-ZNMIVQPWSA-N 2 0 313.486 2.562 20 0 DFADRP COC(=O)Nc1cccc(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)c1 ZINC000496557436 300080024 /nfs/dbraw/zinc/08/00/24/300080024.db2.gz CEDNLEFVJRPFJF-IXDOHACOSA-N 2 0 317.433 2.875 20 0 DFADRP COC(=O)N1CCC([NH2+]C[C@@H]2CCC[N@@H+]2C2CCCCC2)CC1 ZINC000496955018 300137781 /nfs/dbraw/zinc/13/77/81/300137781.db2.gz KPKZHDWNASFFBA-KRWDZBQOSA-N 2 0 323.481 2.604 20 0 DFADRP CCn1nccc1CC[NH2+][C@H]1CCCC[C@H]1C[NH+](CC)CC ZINC000503220775 300219945 /nfs/dbraw/zinc/21/99/45/300219945.db2.gz IPSYPVFFQPMLEB-WMZOPIPTSA-N 2 0 306.498 2.936 20 0 DFADRP C[NH+](C)CC[C@@H]([NH2+]CCC(=O)Nc1ccccc1)C(C)(C)C ZINC000514669116 300265361 /nfs/dbraw/zinc/26/53/61/300265361.db2.gz TZZOKMOPNZABJK-MRXNPFEDSA-N 2 0 305.466 2.971 20 0 DFADRP CC1CC[NH+](Cc2ccc(NC(=O)[C@H]3C[C@@H]([NH3+])C3)cc2)CC1 ZINC000514674760 300265969 /nfs/dbraw/zinc/26/59/69/300265969.db2.gz HLHRHTQYDWHIKH-IYBDPMFKSA-N 2 0 301.434 2.594 20 0 DFADRP Cn1nccc1[C@H]1CCCC[N@@H+]1Cc1ccc2c(c1)C[NH2+]CC2 ZINC000514730200 300268811 /nfs/dbraw/zinc/26/88/11/300268811.db2.gz QJJIWXSMXQTGFC-LJQANCHMSA-N 2 0 310.445 2.793 20 0 DFADRP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@@H+]2CC1Cc2ccccc2C1 ZINC000515099666 300289828 /nfs/dbraw/zinc/28/98/28/300289828.db2.gz NROVFFAMHAFDPP-VAMGGRTRSA-N 2 0 314.473 2.585 20 0 DFADRP CCCN(Cc1nc(C(C)(C)[NH3+])no1)Cc1ccc(C)cc1 ZINC000515846449 300322828 /nfs/dbraw/zinc/32/28/28/300322828.db2.gz YOFMIJDWVDBFAV-UHFFFAOYSA-N 2 0 302.422 2.984 20 0 DFADRP Cc1cc(F)ccc1N1CCC[C@H]([NH2+][C@H]2CCC[C@@H]([NH3+])C2)C1 ZINC000516492000 300345541 /nfs/dbraw/zinc/34/55/41/300345541.db2.gz QCIHVKWOIVLBDX-IKGGRYGDSA-N 2 0 305.441 2.962 20 0 DFADRP CC[N@@H+]1CC[C@@H](N[C@@H]2CC[NH+](Cc3ccccc3)C3(CC3)C2)C1 ZINC000516769169 300359463 /nfs/dbraw/zinc/35/94/63/300359463.db2.gz SPQSPVBMUOUCCZ-RTBURBONSA-N 2 0 313.489 2.867 20 0 DFADRP C[C@H](C[NH2+][C@H](C)[C@@H]1CCC[NH2+]C1)c1nc(-c2ccccc2)no1 ZINC000516861495 300364091 /nfs/dbraw/zinc/36/40/91/300364091.db2.gz QHWKOUNODQQUCN-IIAWOOMASA-N 2 0 314.433 2.818 20 0 DFADRP CCC[C@@H](C)[C@@H]1CCC[N@@H+]1C[C@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC000516932078 300370372 /nfs/dbraw/zinc/37/03/72/300370372.db2.gz AIYODCVBARFQPD-BVBHFADKSA-N 2 0 304.478 2.818 20 0 DFADRP OC1(C[NH2+][C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)CCCCC1 ZINC000517553753 300399193 /nfs/dbraw/zinc/39/91/93/300399193.db2.gz RLCSSWNNMVAFNW-QFBILLFUSA-N 2 0 316.445 2.527 20 0 DFADRP [NH3+][C@H]1CCC[C@@H]([NH2+]CCOc2ccccc2C(F)(F)F)C1 ZINC000519833201 300481737 /nfs/dbraw/zinc/48/17/37/300481737.db2.gz BPPHHLUWBKDQPK-NWDGAFQWSA-N 2 0 302.340 2.944 20 0 DFADRP CC[C@@H]1Oc2cc([C@@H](C)[NH2+][C@H]3CCC[NH2+]CC3)ccc2NC1=O ZINC000521859015 300538447 /nfs/dbraw/zinc/53/84/47/300538447.db2.gz OFIDVWYMTZCVQG-INWMFGNUSA-N 2 0 317.433 2.589 20 0 DFADRP CC(=O)N1CC[C@@H]([NH2+]Cc2ccc(C[NH3+])cc2)c2ccccc2C1 ZINC000521876319 300539619 /nfs/dbraw/zinc/53/96/19/300539619.db2.gz XQXZCKGBXINRHQ-HXUWFJFHSA-N 2 0 323.440 2.728 20 0 DFADRP C[C@H]([NH2+]Cc1ccncc1OCCC[NH+](C)C)[C@@H]1C[C@H]1C1CC1 ZINC000527710158 300677095 /nfs/dbraw/zinc/67/70/95/300677095.db2.gz OKXRDCMBNAZIMF-WBAXXEDZSA-N 2 0 317.477 2.936 20 0 DFADRP C[C@]1([NH3+])CCCC[C@H]1C(=O)NC1CC[NH+](CC2CCCC2)CC1 ZINC000263176579 300820439 /nfs/dbraw/zinc/82/04/39/300820439.db2.gz GGYCRAYYHGNZBH-HKUYNNGSSA-N 2 0 321.509 2.665 20 0 DFADRP c1ccc(CC[NH+]2CCC(N[C@H]3CC[NH2+]C34CCC4)CC2)cc1 ZINC000530177162 301025866 /nfs/dbraw/zinc/02/58/66/301025866.db2.gz ICDCXYWZRVGDKV-IBGZPJMESA-N 2 0 313.489 2.568 20 0 DFADRP C[C@]1(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)COc2ccccc2O1 ZINC000530214260 301029322 /nfs/dbraw/zinc/02/93/22/301029322.db2.gz WLPDGJKZFVEREC-NNFUDEMPSA-N 2 0 316.445 2.727 20 0 DFADRP CC[N@H+](C[C@@H](Cc1ccc(F)cc1)OC)[C@H]1CCC[NH2+]CC1 ZINC000530219449 301031006 /nfs/dbraw/zinc/03/10/06/301031006.db2.gz PPILBSZHYLSLSV-ZWKOTPCHSA-N 2 0 308.441 2.847 20 0 DFADRP COc1ccc(CC[NH2+][C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)cn1 ZINC000530223299 301031787 /nfs/dbraw/zinc/03/17/87/301031787.db2.gz SYRWQBAKNJXXLR-GVDBMIGSSA-N 2 0 303.450 2.533 20 0 DFADRP O[C@H](C[NH2+]C[C@H]1CCN1C1CCCCC1)c1ccccc1F ZINC000530234929 301032676 /nfs/dbraw/zinc/03/26/76/301032676.db2.gz AWLZPQMCKQOXSL-CRAIPNDOSA-N 2 0 306.425 2.856 20 0 DFADRP c1ccc2c(N[C@@H]3CCCC[C@@H]3[NH+]3CCOCC3)cc[nH+]c2c1 ZINC000531656902 301102820 /nfs/dbraw/zinc/10/28/20/301102820.db2.gz WFSMYZYLIVKTTK-MOPGFXCFSA-N 2 0 311.429 2.712 20 0 DFADRP CN1CC[NH+](CCCC[NH2+][C@@H]2CCc3c2cccc3Cl)CC1 ZINC000531686105 301104289 /nfs/dbraw/zinc/10/42/89/301104289.db2.gz DVLGTFNUDPGPPN-GOSISDBHSA-N 2 0 321.896 2.945 20 0 DFADRP CC[C@@H]([NH2+][C@H](CN1CC[NH+](C)CC1)c1ccccc1)C1CC1 ZINC000531710387 301105172 /nfs/dbraw/zinc/10/51/72/301105172.db2.gz BIDVLSRMCSLEFY-RTBURBONSA-N 2 0 301.478 2.753 20 0 DFADRP C[C@@H]1CC[N@H+](CCN[C@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC000531728252 301106762 /nfs/dbraw/zinc/10/67/62/301106762.db2.gz KMOOMZDTRPFIOR-HBFSDRIKSA-N 2 0 315.505 2.971 20 0 DFADRP COc1cccc(CC[NH2+][C@@H]2C[C@@H](C)[N@H+](C)C[C@H]2C)c1OC ZINC000531955354 301121050 /nfs/dbraw/zinc/12/10/50/301121050.db2.gz OWIWSCRLZBNJNZ-IIAWOOMASA-N 2 0 306.450 2.565 20 0 DFADRP CCN(CC)C(=O)C[C@@H](C)[NH2+]CCC[N@H+](C)C1CCCCC1 ZINC000532197347 301135928 /nfs/dbraw/zinc/13/59/28/301135928.db2.gz HEHRLEAGXOGMCP-MRXNPFEDSA-N 2 0 311.514 2.878 20 0 DFADRP CC[C@@H]1CCC[C@@H]1[NH2+]Cc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000532451983 301153664 /nfs/dbraw/zinc/15/36/64/301153664.db2.gz NBDUSDFEBZXWKQ-SJORKVTESA-N 2 0 302.466 2.502 20 0 DFADRP C[C@H]([NH2+]C[C@H]1CCC[N@H+](C)C1)c1ccc2c(c1)CCC(=O)N2 ZINC000532505384 301156771 /nfs/dbraw/zinc/15/67/71/301156771.db2.gz DFFGKRUMMWLPIW-UONOGXRCSA-N 2 0 301.434 2.564 20 0 DFADRP C[C@@H]([NH2+]C[C@H]1CCC[N@H+](C)C1)c1cccc(N2CCOCC2)c1 ZINC000532506872 301157150 /nfs/dbraw/zinc/15/71/50/301157150.db2.gz XPILRHKBRGNMRD-IAGOWNOFSA-N 2 0 317.477 2.516 20 0 DFADRP Cc1ccccc1NC(=O)C[C@H](C)[NH2+][C@H]1CCN(C)[C@@H](C)C1 ZINC000532525264 301158414 /nfs/dbraw/zinc/15/84/14/301158414.db2.gz ITXQEDKHYWRWLT-JYJNAYRXSA-N 2 0 303.450 2.784 20 0 DFADRP CCC(CC)[N@H+](CC(=O)NC1CC[NH+](C(C)C)CC1)C1CC1 ZINC000533267525 301193976 /nfs/dbraw/zinc/19/39/76/301193976.db2.gz VVAIBMLHXGEUGT-UHFFFAOYSA-N 2 0 309.498 2.628 20 0 DFADRP CN1CC[NH+](CCCC[NH2+][C@H]2CCc3c2c(F)ccc3F)CC1 ZINC000533581888 301209240 /nfs/dbraw/zinc/20/92/40/301209240.db2.gz FLGKDYYXPLBLQO-KRWDZBQOSA-N 2 0 323.431 2.569 20 0 DFADRP C[C@@H]([NH2+][C@@H](C)CN1CC[NH+](C)CC1)c1ccc(Cl)c(F)c1 ZINC000535777336 301260487 /nfs/dbraw/zinc/26/04/87/301260487.db2.gz AYNGOPUOIYVMCG-QWHCGFSZSA-N 2 0 313.848 2.766 20 0 DFADRP COc1ccc(C[NH+]2CCC(C[N@H+](C)C(C)C)CC2)cc1O ZINC000536652456 301285468 /nfs/dbraw/zinc/28/54/68/301285468.db2.gz ODBARBSVTXKVJD-UHFFFAOYSA-N 2 0 306.450 2.953 20 0 DFADRP Cc1ccc(F)c(C[N@H+]2CC[C@H](N3CC[NH+](C(C)C)CC3)C2)c1 ZINC000538762949 301331296 /nfs/dbraw/zinc/33/12/96/301331296.db2.gz UVIDMEXHROTWTG-SFHVURJKSA-N 2 0 319.468 2.734 20 0 DFADRP C[C@@H]1C[C@H](CC[NH2+]C2CCN(C)CC2)C[N@@H+]1Cc1ccccc1 ZINC000540141402 301358446 /nfs/dbraw/zinc/35/84/46/301358446.db2.gz LLFDNOSKTCNKDL-MJGOQNOKSA-N 2 0 315.505 2.971 20 0 DFADRP [NH3+]CCCN(c1cccc(F)c1)C1CC[NH+](CC2CC2)CC1 ZINC000541555044 301389323 /nfs/dbraw/zinc/38/93/23/301389323.db2.gz IWZSUCSXJQUCQY-UHFFFAOYSA-N 2 0 305.441 2.855 20 0 DFADRP CC[N@@H+]1CC[C@@H]([NH2+]CCc2ccc(F)c(F)c2F)[C@H](C)C1 ZINC000541571818 301389925 /nfs/dbraw/zinc/38/99/25/301389925.db2.gz UKIBQHSGEBQXCU-BXUZGUMPSA-N 2 0 300.368 2.966 20 0 DFADRP CN(CCC(=O)Nc1cccc(C[NH+](C)C)c1)c1cc[nH+]cc1 ZINC000541857929 301399411 /nfs/dbraw/zinc/39/94/11/301399411.db2.gz LTGYBQQHOOFLCS-UHFFFAOYSA-N 2 0 312.417 2.608 20 0 DFADRP C[C@@H]1CC[C@@H](C)[NH+]1[C@H]1CCCN(C(=O)CCCC[NH+](C)C)C1 ZINC000552554779 301694773 /nfs/dbraw/zinc/69/47/73/301694773.db2.gz VDGOHWWMKZSGFY-ZACQAIPSSA-N 2 0 309.498 2.582 20 0 DFADRP C[NH+](C)CCCCC(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000556946912 301821532 /nfs/dbraw/zinc/82/15/32/301821532.db2.gz QZTVJIWYNQMPNH-UHFFFAOYSA-N 2 0 317.477 2.631 20 0 DFADRP C[NH+](C)CCCCC(=O)N[C@@H](C[NH+]1CCCC1)c1ccccc1 ZINC000560696582 301911107 /nfs/dbraw/zinc/91/11/07/301911107.db2.gz LMYQUZIKUMHRAL-SFHVURJKSA-N 2 0 317.477 2.672 20 0 DFADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+][C@H]1CCCC[C@H]1N1CCOCC1 ZINC000562958975 302017967 /nfs/dbraw/zinc/01/79/67/302017967.db2.gz ZSFIWHHIEYJBBY-YDZRNGNQSA-N 2 0 323.525 2.530 20 0 DFADRP COC1CC[NH+](C2(CN[C@@H]3CCCC[C@@H]3C[NH3+])CCCC2)CC1 ZINC000562959221 302018011 /nfs/dbraw/zinc/01/80/11/302018011.db2.gz IQQBPPBWRAOEBV-SJLPKXTDSA-N 3 0 323.525 2.517 20 0 DFADRP C[C@H](CC(=O)Nc1ccc(F)cc1)[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000562962366 302018654 /nfs/dbraw/zinc/01/86/54/302018654.db2.gz KQJAQUYLQGMWPV-VWPFQQQWSA-N 2 0 319.424 2.521 20 0 DFADRP Cc1cnccc1CCN1CCn2c(nnc2C2CCCC2)C1 ZINC000563045953 302030853 /nfs/dbraw/zinc/03/08/53/302030853.db2.gz TXOUIAMNZVKXBY-UHFFFAOYSA-N 2 0 311.433 2.697 20 0 DFADRP CCCN(CC[NH+](C)C)C(=O)C(C)(C)[C@@H]([NH3+])c1ccccc1 ZINC000563205466 302049310 /nfs/dbraw/zinc/04/93/10/302049310.db2.gz GJTMNNIEDBAPIG-INIZCTEOSA-N 2 0 305.466 2.513 20 0 DFADRP C[C@@H](O)C[N@H+](Cc1ccccc1)Cc1ccc2c(c1)C[NH2+]CC2 ZINC000563271557 302056483 /nfs/dbraw/zinc/05/64/83/302056483.db2.gz WUZINRGTJRFOOU-MRXNPFEDSA-N 2 0 310.441 2.715 20 0 DFADRP CCC[N@H+](CC)Cc1ccc(C(=O)N2CC[C@H]([NH3+])C[C@@H]2C)cc1 ZINC000563349378 302064840 /nfs/dbraw/zinc/06/48/40/302064840.db2.gz HQFCSDJEKDSRML-YJBOKZPZSA-N 2 0 317.477 2.870 20 0 DFADRP CC[NH2+]Cc1cccc(NC(=O)NCC2CC[NH+](CC)CC2)c1 ZINC000563503987 302077918 /nfs/dbraw/zinc/07/79/18/302077918.db2.gz LSZZTMNQCPNHLP-UHFFFAOYSA-N 2 0 318.465 2.650 20 0 DFADRP O[C@H](C[NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1)Cc1ccc2ccccc2c1 ZINC000563528792 302080128 /nfs/dbraw/zinc/08/01/28/302080128.db2.gz GOZHUDNBCLYIEU-UWJYYQICSA-N 2 0 324.468 2.817 20 0 DFADRP C[C@H](C[NH2+][C@H]1CCC[NH2+]CC1)c1nc(-c2ccccc2)no1 ZINC000563804426 302099236 /nfs/dbraw/zinc/09/92/36/302099236.db2.gz FWSJJKLFJQJIFZ-HIFRSBDPSA-N 2 0 300.406 2.572 20 0 DFADRP Cc1cccc2c1OC[C@H]([NH2+]C1CC[NH+](CC3CC3)CC1)C2 ZINC000564007872 302113934 /nfs/dbraw/zinc/11/39/34/302113934.db2.gz PEFIIDVRQODLON-GOSISDBHSA-N 2 0 300.446 2.763 20 0 DFADRP Cc1ccc(OC[C@H](O)C[NH2+]CC[C@H](C)[NH+]2CCCCC2)cc1 ZINC000564077815 302117462 /nfs/dbraw/zinc/11/74/62/302117462.db2.gz WEWSYXODXGAVCB-ZWKOTPCHSA-N 2 0 320.477 2.589 20 0 DFADRP CC[NH2+]Cc1ccccc1NC(=O)C[C@@H]([NH3+])Cc1ccccc1 ZINC000564308893 302127517 /nfs/dbraw/zinc/12/75/17/302127517.db2.gz PZSOHYIALHQLIN-KRWDZBQOSA-N 2 0 311.429 2.695 20 0 DFADRP Cc1nn2c(C[NH2+]CC3(C)CC[NH2+]CC3)c(C(C)C)nc2s1 ZINC000564305050 302127627 /nfs/dbraw/zinc/12/76/27/302127627.db2.gz OSTGYGAUPLGZOB-UHFFFAOYSA-N 2 0 321.494 2.702 20 0 DFADRP CC[N@H+](C)C[C@H](O)CN1CCC(c2cccc(Cl)c2)CC1 ZINC000564344372 302130470 /nfs/dbraw/zinc/13/04/70/302130470.db2.gz QAGGACSIMRTPBG-KRWDZBQOSA-N 2 0 310.869 2.832 20 0 DFADRP CC[C@H]([NH2+]CC1(SC)CC[NH+](C)CC1)C1CCOCC1 ZINC000564438380 302134905 /nfs/dbraw/zinc/13/49/05/302134905.db2.gz ISLXMTAWYCKALJ-HNNXBMFYSA-N 2 0 300.512 2.609 20 0 DFADRP COc1ccc([C@@H](C)[C@H](C)[NH2+]CC2CC[NH2+]CC2)cc1OC ZINC000564791897 302158722 /nfs/dbraw/zinc/15/87/22/302158722.db2.gz YSPZBRKVROFOKL-KBPBESRZSA-N 2 0 306.450 2.785 20 0 DFADRP C[C@@H]1CCC[N@H+](CCCC[NH2+]C[C@H](O)COc2ccccc2)C1 ZINC000564843761 302163191 /nfs/dbraw/zinc/16/31/91/302163191.db2.gz FRYWLDGOMMVLTO-MSOLQXFVSA-N 2 0 320.477 2.528 20 0 DFADRP Cc1ccc(NC(=O)CC[NH2+]CCC[NH+](C(C)C)C(C)C)nc1 ZINC000564849133 302164051 /nfs/dbraw/zinc/16/40/51/302164051.db2.gz JLFWLGVEOIUBID-UHFFFAOYSA-N 2 0 320.481 2.817 20 0 DFADRP CC(C)C[N@@H+]1CCC[C@@H](C[NH2+]CCC(=O)Nc2ccccc2)C1 ZINC000564851698 302164676 /nfs/dbraw/zinc/16/46/76/302164676.db2.gz FJFSMKPQTRVTIF-KRWDZBQOSA-N 2 0 317.477 2.973 20 0 DFADRP COc1ccc([C@H](C[NH3+])C[N@@H+]2CC[C@H](c3cccnc3)C2)cc1 ZINC000564989680 302179856 /nfs/dbraw/zinc/17/98/56/302179856.db2.gz WXADCXZFBUJJFX-ZWKOTPCHSA-N 2 0 311.429 2.622 20 0 DFADRP CC[N@H+](C)C[C@@H](O)C[NH+]1CC[C@](C)(CCc2ccccc2)C1 ZINC000565155531 302198617 /nfs/dbraw/zinc/19/86/17/302198617.db2.gz GHJWTQMSFBNBAY-MOPGFXCFSA-N 2 0 304.478 2.644 20 0 DFADRP CC(C)(C[NH2+][C@@H]1CCC[C@@H]([NH3+])C1)N1CCc2ccccc2C1 ZINC000565224877 302209878 /nfs/dbraw/zinc/20/98/78/302209878.db2.gz AHJSBTAYKUZDTR-QZTJIDSGSA-N 2 0 301.478 2.683 20 0 DFADRP [NH3+][C@H]1CCC[C@H]([NH2+]CCc2nc(-c3cccc(Cl)c3)no2)C1 ZINC000565225616 302210175 /nfs/dbraw/zinc/21/01/75/302210175.db2.gz GHZFJYGLACTDMF-KBPBESRZSA-N 2 0 320.824 2.792 20 0 DFADRP C[C@H](CCc1n[nH]c2ccccc21)[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000565827700 302243663 /nfs/dbraw/zinc/24/36/63/302243663.db2.gz AXZDECRSFSKJEW-KLHDSHLOSA-N 2 0 312.461 2.862 20 0 DFADRP C[C@H](NC[C@@H](C1CC1)[N@H+](C)Cc1ccccc1)[C@H]1CCC[NH2+]C1 ZINC000566090700 302258414 /nfs/dbraw/zinc/25/84/14/302258414.db2.gz JACWNTDFMMIARW-VDGAXYAQSA-N 2 0 315.505 2.875 20 0 DFADRP Cn1ccnc1[C@@H]([NH2+]CC1CC[NH2+]CC1)c1ccc(Cl)cc1 ZINC000566088870 302258696 /nfs/dbraw/zinc/25/86/96/302258696.db2.gz DSVZHCDSFVKYKC-INIZCTEOSA-N 2 0 318.852 2.752 20 0 DFADRP CCC[N@H+](CC)Cc1ccc(C(=O)N[C@@H](C)C[C@H](C)[NH3+])cc1 ZINC000566294961 302275856 /nfs/dbraw/zinc/27/58/56/302275856.db2.gz HMFUQVDHESECDK-GJZGRUSLSA-N 2 0 305.466 2.774 20 0 DFADRP CCN(CC[NH+]1CCCCCC1)C(=O)C[C@H](C)n1ccnc1 ZINC000566308659 302278574 /nfs/dbraw/zinc/27/85/74/302278574.db2.gz JVCLLUZFZQMLSZ-INIZCTEOSA-N 2 0 306.454 2.559 20 0 DFADRP CCc1cccc(OC[C@H](O)C[NH2+][C@@H](C)C(C)(C)C[NH+](C)C)c1 ZINC000566673635 302302863 /nfs/dbraw/zinc/30/28/63/302302863.db2.gz UVYOIYGHKIIBHS-DOTOQJQBSA-N 2 0 322.493 2.555 20 0 DFADRP Cc1ccc([C@@H](C[NH2+]C[C@@H](O)COC(C)C)N2CCCC2)cc1 ZINC000566733518 302307682 /nfs/dbraw/zinc/30/76/82/302307682.db2.gz VIYJMOWRIOGQBB-RTBURBONSA-N 2 0 320.477 2.507 20 0 DFADRP C[C@@H](NC(=O)C[N@@H+]1CCC(C)(C)C1)[C@@H](c1ccccc1)[NH+](C)C ZINC000566866400 302318453 /nfs/dbraw/zinc/31/84/53/302318453.db2.gz SHXSHVDUDIRSMX-QAPCUYQASA-N 2 0 317.477 2.526 20 0 DFADRP CN1CC[C@H]([NH2+]Cc2ccc3c(c2)C[NH2+]CC3)[C@H]1c1ccccc1 ZINC000567478292 302362354 /nfs/dbraw/zinc/36/23/54/302362354.db2.gz NSCXZNXNEDQTND-LEWJYISDSA-N 2 0 321.468 2.867 20 0 DFADRP C[C@@H]1C[N@@H+](Cc2cccc(N[C@@H]3CCC[C@@H]3[NH3+])c2)C[C@H](C)O1 ZINC000567645852 302375790 /nfs/dbraw/zinc/37/57/90/302375790.db2.gz FDFWJQBCCKNUSO-IHETXDGRSA-N 2 0 303.450 2.588 20 0 DFADRP CC(C)NC(=O)[C@@H]1CCC[C@H]([NH2+][C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)C1 ZINC000567641483 302375959 /nfs/dbraw/zinc/37/59/59/302375959.db2.gz BKHNWDRXGZTCGL-RSJGLCBASA-N 2 0 321.509 2.580 20 0 DFADRP CC(C)[NH2+]CCCN[C@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000567723918 302384132 /nfs/dbraw/zinc/38/41/32/302384132.db2.gz BHFYQLBGNXNHNO-MJGOQNOKSA-N 3 0 303.494 2.875 20 0 DFADRP Cc1c[nH+]ccc1N(C)C[C@@H]1CCC[N@H+](C)[C@H]1c1cnn(C)c1 ZINC000369101657 302386782 /nfs/dbraw/zinc/38/67/82/302386782.db2.gz RJBHRLYCTZGUJD-MAUKXSAKSA-N 2 0 313.449 2.643 20 0 DFADRP CC1(C[NH2+]Cc2ccc(Oc3cnccn3)cc2)CC[NH2+]CC1 ZINC000567864975 302394668 /nfs/dbraw/zinc/39/46/68/302394668.db2.gz JCNWOMBHXTWJPH-UHFFFAOYSA-N 2 0 312.417 2.748 20 0 DFADRP C[NH+](C)CCOc1ccc(C[NH2+]C[C@@H](O)CC2CCCC2)cc1 ZINC000567891348 302396729 /nfs/dbraw/zinc/39/67/29/302396729.db2.gz BFTFETUVWARIID-SFHVURJKSA-N 2 0 320.477 2.658 20 0 DFADRP [NH3+][C@H]1CCC[C@@H]([NH2+]Cc2cccc(COC3CCOCC3)c2)C1 ZINC000567915078 302398450 /nfs/dbraw/zinc/39/84/50/302398450.db2.gz GFZZWIQCDQGYKB-ZWKOTPCHSA-N 2 0 318.461 2.742 20 0 DFADRP C[C@@H]([NH2+]C(C)(C)CNC(=O)[C@@H]1CCCCC[NH2+]1)c1ccccc1 ZINC000567974130 302404916 /nfs/dbraw/zinc/40/49/16/302404916.db2.gz QKTFXDVINGKMEY-WBVHZDCISA-N 2 0 317.477 2.764 20 0 DFADRP CC[C@H]1[NH2+]CC[C@@H]1C(=O)Nc1ccc(C[NH+]2CCCC2)cc1 ZINC000568507923 302455491 /nfs/dbraw/zinc/45/54/91/302455491.db2.gz PCQWUSNYZJPCKL-DLBZAZTESA-N 2 0 301.434 2.609 20 0 DFADRP C[C@@H](C(=O)Nc1cccc2c1CC[NH2+]C2)[NH+]1CCCCCC1 ZINC000568508830 302455633 /nfs/dbraw/zinc/45/56/33/302455633.db2.gz SXQWUZGYGHNYCC-AWEZNQCLSA-N 2 0 301.434 2.535 20 0 DFADRP [NH3+][C@H]1CCCCC[C@@H]1NC[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC000569110881 302499872 /nfs/dbraw/zinc/49/98/72/302499872.db2.gz SKCXHIGVDHRHIW-NQYYFHDYSA-N 2 0 319.468 2.768 20 0 DFADRP CC[C@@H]([NH3+])C(=O)NC[C@H](CC(C)C)[NH2+][C@H](C)c1ccccc1 ZINC000569217276 302505841 /nfs/dbraw/zinc/50/58/41/302505841.db2.gz BOGJPXNQIMTYES-HYVNUMGLSA-N 2 0 305.466 2.605 20 0 DFADRP C[NH+](C)C1CCC([NH2+]C2CCC(O)(C(F)(F)F)CC2)CC1 ZINC000569346694 302513147 /nfs/dbraw/zinc/51/31/47/302513147.db2.gz ROKBDBNJMMDXNJ-UHFFFAOYSA-N 2 0 308.388 2.685 20 0 DFADRP [NH3+][C@@H]1CCC[C@@H]([NH2+]CCc2nc(-c3ccccn3)cs2)C1 ZINC000569355414 302514294 /nfs/dbraw/zinc/51/42/94/302514294.db2.gz LBBIYLFXZBXBDP-CHWSQXEVSA-N 2 0 302.447 2.607 20 0 DFADRP C[C@@H]([NH2+]C(C)(C)CNC(=O)C[C@@H]1CCC[NH2+]C1)c1ccccc1 ZINC000570738802 302590313 /nfs/dbraw/zinc/59/03/13/302590313.db2.gz FBVHDIXNMIVYKY-CVEARBPZSA-N 2 0 317.477 2.622 20 0 DFADRP Cc1nn2c(C[NH2+][C@@H]3CCCC[C@H]3C[NH3+])c(C(C)C)nc2s1 ZINC000572970152 302687015 /nfs/dbraw/zinc/68/70/15/302687015.db2.gz XXBDYBMKMXJKJD-QWHCGFSZSA-N 2 0 321.494 2.830 20 0 DFADRP [NH3+]CCC1CC[NH+](Cc2cc(O)ccc2Br)CC1 ZINC000573854497 302727263 /nfs/dbraw/zinc/72/72/63/302727263.db2.gz UCRHKKNKFMJGHF-UHFFFAOYSA-N 2 0 313.239 2.716 20 0 DFADRP CCn1nc(C)c(C[NH2+]C2CCN(c3cc[nH+]cc3)CC2)c1C ZINC000573899357 302729308 /nfs/dbraw/zinc/72/93/08/302729308.db2.gz RSUGJGPASDXNMW-UHFFFAOYSA-N 2 0 313.449 2.673 20 0 DFADRP C[C@H]([NH2+]C[C@@]1(C)CCC[NH2+]C1)c1ccc2c(c1)CCC(=O)N2 ZINC000573953184 302732461 /nfs/dbraw/zinc/73/24/61/302732461.db2.gz OEZJIEZNUYZWBR-UGSOOPFHSA-N 2 0 301.434 2.612 20 0 DFADRP COCC1(C[NH2+][C@H](C)c2ccc(C)cc2OC)CC[NH2+]CC1 ZINC000574442230 302759321 /nfs/dbraw/zinc/75/93/21/302759321.db2.gz YAIULGKTNVDCKA-OAHLLOKOSA-N 2 0 306.450 2.670 20 0 DFADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]CCOC(C)(C)C)[C@H](C)C1 ZINC000180339998 316031575 /nfs/dbraw/zinc/03/15/75/316031575.db2.gz UQNNPUMKFLZIGY-CVEARBPZSA-N 2 0 300.487 2.528 20 0 DFADRP CC[NH+]1CCN([C@@H](C)C[NH2+][C@H]2CCCc3cc(F)ccc32)CC1 ZINC000182428457 316102115 /nfs/dbraw/zinc/10/21/15/316102115.db2.gz IYOSBBIHOQXPCE-KXBFYZLASA-N 2 0 319.468 2.819 20 0 DFADRP CC[C@@H]1CCC[C@@H](C[NH+]2CCC(C(=O)NCC[NH+](C)C)CC2)C1 ZINC000183021888 316126768 /nfs/dbraw/zinc/12/67/68/316126768.db2.gz XLDBMEDLNSYSQZ-IAGOWNOFSA-N 2 0 323.525 2.593 20 0 DFADRP C[C@@H]([NH2+][C@@H](C)CN1CC[NH+](C)CC1)C12CC3CC(CC(C3)C1)C2 ZINC000185393248 316186322 /nfs/dbraw/zinc/18/63/22/316186322.db2.gz AHIGLOBHALZLQA-HZCWPMTASA-N 2 0 319.537 2.817 20 0 DFADRP COc1ccc(C[C@@H](C)C[NH2+]C[C@H]2CCC[N@H+](C)C2)cc1F ZINC000187351471 316208898 /nfs/dbraw/zinc/20/88/98/316208898.db2.gz WREQTUHKMZALIN-GDBMZVCRSA-N 2 0 308.441 2.944 20 0 DFADRP O=C(Nc1ccc(C[NH+]2CCCC2)cc1)[C@@H]1CC12CC[NH2+]CC2 ZINC000320532442 316254124 /nfs/dbraw/zinc/25/41/24/316254124.db2.gz CGWAHCXTNOVTRJ-KRWDZBQOSA-N 2 0 313.445 2.611 20 0 DFADRP CC[NH+](CC)[C@H](CNC(=O)[C@@H]1CCCCC[NH2+]1)c1ccccc1 ZINC000321941634 316257504 /nfs/dbraw/zinc/25/75/04/316257504.db2.gz BJAMSVMEHQHPEW-ZWKOTPCHSA-N 2 0 317.477 2.718 20 0 DFADRP C[C@@H]1C[N@@H+]2CCCC[C@H]2CN1C(=O)CC[C@@H]([NH3+])c1ccccc1 ZINC000322156147 316258625 /nfs/dbraw/zinc/25/86/25/316258625.db2.gz ALABXJCUVCIYGG-BPQIPLTHSA-N 2 0 315.461 2.552 20 0 DFADRP C[N@H+](C[C@@H]1CC[NH+](Cc2ccccc2)C1)C[C@H]1CCCC[C@@H]1O ZINC000328366775 316263085 /nfs/dbraw/zinc/26/30/85/316263085.db2.gz RFYSSUYOQHNNIB-ZCNNSNEGSA-N 2 0 316.489 2.991 20 0 DFADRP C[C@H]1C[C@H](N[C@H]2CC[NH+](C)C[C@H]2C)C[N@@H+]1Cc1ccccc1 ZINC000336716895 316299754 /nfs/dbraw/zinc/29/97/54/316299754.db2.gz QATZONVTLWUPIX-NEPXVJNWSA-N 2 0 301.478 2.579 20 0 DFADRP COc1ccc(C[NH+]2CCC(OCC[NH+](C)C)CC2)cc1C ZINC000353536445 316536220 /nfs/dbraw/zinc/53/62/20/316536220.db2.gz XOSSUTDWTMPVLS-UHFFFAOYSA-N 2 0 306.450 2.546 20 0 DFADRP Cn1cc(C[NH2+]CC2(C)CC[NH+](C)CC2)c(-c2cccs2)n1 ZINC000359996267 316572144 /nfs/dbraw/zinc/57/21/44/316572144.db2.gz GDZAVYLOXKBGMF-UHFFFAOYSA-N 2 0 318.490 2.970 20 0 DFADRP C[C@H]1C[NH+](CCC2CC[NH+](CCC3(O)CCC3)CC2)C[C@H](C)O1 ZINC000411313160 316587907 /nfs/dbraw/zinc/58/79/07/316587907.db2.gz XCJBUFZWZQFAMN-IRXDYDNUSA-N 2 0 324.509 2.503 20 0 DFADRP CO[C@](C)([C@@H](C)[NH2+]C1CCN(c2cc[nH+]cc2)CC1)C1CC1 ZINC000414498668 316611399 /nfs/dbraw/zinc/61/13/99/316611399.db2.gz INBARJHBXKTIHM-RDTXWAMCSA-N 2 0 303.450 2.844 20 0 DFADRP C[C@@H]1C[C@H](C[NH+]2CCC(N(C)c3ccccc3)CC2)CC[NH2+]1 ZINC000414712652 316637043 /nfs/dbraw/zinc/63/70/43/316637043.db2.gz SVXUFTZGMBIHFV-IAGOWNOFSA-N 2 0 301.478 2.975 20 0 DFADRP COc1ccccc1/C=C\C[NH+]1CCC([C@@H]2OCC[C@H]2[NH3+])CC1 ZINC000414789784 316657800 /nfs/dbraw/zinc/65/78/00/316657800.db2.gz OOORBTLEBVLSFK-VSNBLRCJSA-N 2 0 316.445 2.537 20 0 DFADRP COc1ccc(C[NH2+][C@H]2CCCC[C@H]2C[NH3+])cc1OC(F)F ZINC000414792356 316659097 /nfs/dbraw/zinc/65/90/97/316659097.db2.gz CDLFNHXXYJXLEO-STQMWFEESA-N 2 0 314.376 2.904 20 0 DFADRP [NH3+]C[C@H]1CCC[C@@H]1[NH2+]Cc1ccc(OCc2ccccn2)cc1 ZINC000414792566 316659245 /nfs/dbraw/zinc/65/92/45/316659245.db2.gz CJHRXBVRLDMIEV-APWZRJJASA-N 2 0 311.429 2.878 20 0 DFADRP COc1ccc(CC[C@H](C)[NH2+][C@@H]2CCCC[C@H]2C[NH3+])cc1O ZINC000414806439 316663631 /nfs/dbraw/zinc/66/36/31/316663631.db2.gz QHQGDRKHSCXGNS-CWRNSKLLSA-N 2 0 306.450 2.829 20 0 DFADRP COc1ccc([C@@H]([NH2+]CC2(O)CC[NH+](C)CC2)C(C)C)c(F)c1 ZINC000421831012 316771420 /nfs/dbraw/zinc/77/14/20/316771420.db2.gz KTZDGFYYONHEIM-KRWDZBQOSA-N 2 0 324.440 2.578 20 0 DFADRP C[C@H](NC(=O)CCC[NH+]1CCC([NH3+])CC1)[C@@H](C)C1CCCCC1 ZINC000433126668 316878584 /nfs/dbraw/zinc/87/85/84/316878584.db2.gz DKLHWWBMLWUCEY-CVEARBPZSA-N 2 0 323.525 2.911 20 0 DFADRP CC(C)[C@@H](C[NH3+])C(=O)NCc1ccccc1C[NH+]1CCCCC1 ZINC000433155939 316883211 /nfs/dbraw/zinc/88/32/11/316883211.db2.gz GSSUDQCKSWWWGJ-GOSISDBHSA-N 2 0 317.477 2.520 20 0 DFADRP [NH3+]C1CCC([NH2+]Cc2ccccc2OCC(F)(F)F)CC1 ZINC000437758171 316934326 /nfs/dbraw/zinc/93/43/26/316934326.db2.gz LRZBCQIIRFNYBV-UHFFFAOYSA-N 2 0 302.340 2.987 20 0 DFADRP CCC[C@H](C[NH2+]Cc1ccccc1N1CC[NH+](CC)CC1)OC ZINC000449375829 317032826 /nfs/dbraw/zinc/03/28/26/317032826.db2.gz JMQLVPZBJWZDOM-GOSISDBHSA-N 2 0 319.493 2.733 20 0 DFADRP CCc1cc(N2CCC(C[NH+]3C[C@H](C)O[C@@H](C)C3)CC2)cc[nH+]1 ZINC000450300445 317080887 /nfs/dbraw/zinc/08/08/87/317080887.db2.gz CXPHWTSNWAHJEU-HOTGVXAUSA-N 2 0 317.477 2.970 20 0 DFADRP CCCc1ccc2[nH+]ccc(N3CCO[C@H](C[NH+](C)C)C3)c2c1 ZINC000450322679 317082987 /nfs/dbraw/zinc/08/29/87/317082987.db2.gz ZWUFZPJNYCXMLP-MRXNPFEDSA-N 2 0 313.445 2.954 20 0 DFADRP CC[NH+]1CCN([C@@H]2CC[N@H+](C[C@@H]3CCCCC3(F)F)C2)CC1 ZINC000450392948 317088125 /nfs/dbraw/zinc/08/81/25/317088125.db2.gz PGWFRSBWCMJTGI-JKSUJKDBSA-N 2 0 315.452 2.524 20 0 DFADRP COCCN1CCC[C@@H]1C[NH2+]C1CCc2ccccc2CC1 ZINC000453094571 317161357 /nfs/dbraw/zinc/16/13/57/317161357.db2.gz QFILOWDVXHCKAB-LJQANCHMSA-N 2 0 302.462 2.634 20 0 DFADRP C[C@H]1CC[C@@H]([NH2+]CCCN2CC[NH+](C)CC2)c2sccc21 ZINC000453102112 317162873 /nfs/dbraw/zinc/16/28/73/317162873.db2.gz ZCHJWGGXLCXIFT-GOEBONIOSA-N 2 0 307.507 2.914 20 0 DFADRP C[C@H](CC[NH2+][C@@H](C)Cc1cnccn1)[N@H+](C)Cc1ccccc1 ZINC000453146606 317164787 /nfs/dbraw/zinc/16/47/87/317164787.db2.gz XIIUPJZVMXUQFX-DLBZAZTESA-N 2 0 312.461 2.908 20 0 DFADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]CCC[C@@H]2CCOC2)[C@H](C)C1 ZINC000453368074 317180810 /nfs/dbraw/zinc/18/08/10/317180810.db2.gz MSUAPAAZHSBBHM-KURKYZTESA-N 2 0 312.498 2.530 20 0 DFADRP Cc1cnc(CC[NH2+]C2CC[NH+]([C@H]3CCCC[C@@H]3C)CC2)cn1 ZINC000453395871 317183032 /nfs/dbraw/zinc/18/30/32/317183032.db2.gz HZEBYUJYOLIVFB-KXBFYZLASA-N 2 0 316.493 2.960 20 0 DFADRP CN1CCCC(C)(C)[C@H]1C[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000459512913 317328469 /nfs/dbraw/zinc/32/84/69/317328469.db2.gz ZJXVAMCRBNRIFT-GOSISDBHSA-N 2 0 316.493 2.760 20 0 DFADRP C[C@@H]1C[C@@H]1C[N@H+](C)CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000488357986 317386894 /nfs/dbraw/zinc/38/68/94/317386894.db2.gz QTABLNZPZQVYAP-SJLPKXTDSA-N 2 0 307.526 2.771 20 0 DFADRP CC[NH+]1CCN(Cc2ccc(C[NH2+]C[C@@H]3C[C@H]3C)cc2)CC1 ZINC000488412031 317390780 /nfs/dbraw/zinc/39/07/80/317390780.db2.gz KXXGCFKPCFYZJT-APWZRJJASA-N 2 0 301.478 2.570 20 0 DFADRP COCCC[NH+]1CCC([NH2+][C@@H]2CS[C@H](C(C)C)C2)CC1 ZINC000488435036 317392440 /nfs/dbraw/zinc/39/24/40/317392440.db2.gz QZHNPSBGYAZOGM-HOTGVXAUSA-N 2 0 300.512 2.607 20 0 DFADRP c1cc2c(cccc2N2CC[NH+](CC[C@H]3CCC[NH2+]C3)CC2)[nH]1 ZINC000530230645 317777679 /nfs/dbraw/zinc/77/76/79/317777679.db2.gz BWGMQCPWBIOXQW-MRXNPFEDSA-N 2 0 312.461 2.680 20 0 DFADRP Cc1cc(C)cc(C[NH+]2CCC(CO[C@@H]3CC[NH2+]C3)CC2)c1 ZINC000530242458 317778274 /nfs/dbraw/zinc/77/82/74/317778274.db2.gz SQCKCCSGGUPZKM-LJQANCHMSA-N 2 0 302.462 2.894 20 0 DFADRP CC[NH+]1CCN(c2cccc(N[C@@H]3CCC[C@H]([NH3+])C3)c2)CC1 ZINC000566481247 317951759 /nfs/dbraw/zinc/95/17/59/317951759.db2.gz GJLOJPJSHUTHRF-JKSUJKDBSA-N 2 0 302.466 2.510 20 0 DFADRP Fc1ccc([C@H]([NH2+]CC[C@H]2CCC[NH2+]C2)c2ncc[nH]2)cc1 ZINC000573555736 318021500 /nfs/dbraw/zinc/02/15/00/318021500.db2.gz YLQODQNCWXQVSX-CJNGLKHVSA-N 2 0 302.397 2.618 20 0 DFADRP C[C@@H]([NH2+]CC[C@@H]1CC[NH2+]C1)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000574683299 318032986 /nfs/dbraw/zinc/03/29/86/318032986.db2.gz BXARVNTVQCBPPX-OLZOCXBDSA-N 2 0 301.434 2.567 20 0 DFADRP C[C@@H]1CCCC[N@@H+]1CCC(=O)N1CCC[NH+](CC2CCC2)CC1 ZINC000574703474 318034968 /nfs/dbraw/zinc/03/49/68/318034968.db2.gz NLFSZMXZXKWIBY-QGZVFWFLSA-N 2 0 321.509 2.585 20 0 DFADRP CCC[C@@](C)([NH3+])C(=O)NC[C@@H](c1ccc(Cl)cc1)[NH+](C)C ZINC000574808320 318041632 /nfs/dbraw/zinc/04/16/32/318041632.db2.gz AFDNHQZCSRUDJH-GOEBONIOSA-N 2 0 311.857 2.576 20 0 DFADRP C[C@@H]1CCCC[N@@H+]1CCCC[NH2+]C[C@H](O)Cc1ccc(F)cc1 ZINC000574868943 318045877 /nfs/dbraw/zinc/04/58/77/318045877.db2.gz FNJUUIMHLQAJML-VQIMIIECSA-N 2 0 322.468 2.973 20 0 DFADRP C[C@]1(C(=O)Nc2ccc(CC[NH+]3CCCCC3)cc2)CCC[NH2+]1 ZINC000575925051 318092165 /nfs/dbraw/zinc/09/21/65/318092165.db2.gz AACHEUVANAQGKS-LJQANCHMSA-N 2 0 315.461 2.796 20 0 DFADRP [NH3+]C[C@@H]1CCC[C@H]1[NH2+]CCc1nc(-c2ccc(Cl)cc2)no1 ZINC000576338012 318119326 /nfs/dbraw/zinc/11/93/26/318119326.db2.gz APPANHCVPIJCPL-GXTWGEPZSA-N 2 0 320.824 2.650 20 0 DFADRP [NH3+][C@@H]1CCC[C@@H]([NH2+][C@@H](CO)c2ccc(C(F)(F)F)cc2)C1 ZINC000576480610 318129871 /nfs/dbraw/zinc/12/98/71/318129871.db2.gz ZAIIQAAXQKBGLQ-MCIONIFRSA-N 2 0 302.340 2.598 20 0 DFADRP CN1CC[NH+](CCCC[NH2+]Cc2cc(Cl)cs2)CC1 ZINC000576684088 318142391 /nfs/dbraw/zinc/14/23/91/318142391.db2.gz ZGHYGIWAYNYQBT-UHFFFAOYSA-N 2 0 301.887 2.519 20 0 DFADRP CCOc1cc(CCC[NH2+][C@H]2CCC[C@@H]([NH3+])C2)ccc1OC ZINC000576718014 318146147 /nfs/dbraw/zinc/14/61/47/318146147.db2.gz NVMHTECSZNLVGL-CVEARBPZSA-N 2 0 306.450 2.886 20 0 DFADRP CC[N@H+](C)C[C@H](O)CN1CCC[C@@H]1c1nc2ccccc2s1 ZINC000577343314 318185672 /nfs/dbraw/zinc/18/56/72/318185672.db2.gz LVXVYEAQEMDQTK-DZGCQCFKSA-N 2 0 319.474 2.746 20 0 DFADRP CCc1ccc([C@H](CN[C@@H](C)[C@H]2CCC[NH2+]C2)[NH+](C)C)cc1 ZINC000577363134 318187920 /nfs/dbraw/zinc/18/79/20/318187920.db2.gz YJHOKZXJVGGLBJ-SNRMKQJTSA-N 2 0 303.494 2.829 20 0 DFADRP C[N@@H+]1CC[C@H]([NH2+][C@@H]2COc3cc(F)ccc3C2)[C@H]2CCC[C@H]21 ZINC000577530546 318200139 /nfs/dbraw/zinc/20/01/39/318200139.db2.gz KCGHGYAVLQRCMF-VVLHAWIVSA-N 2 0 304.409 2.592 20 0 DFADRP C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)Nc1ccc2c(c1)C[NH2+]C2 ZINC000577710648 318211566 /nfs/dbraw/zinc/21/15/66/318211566.db2.gz CASVZCXQBUNBBY-ZIAGYGMSSA-N 2 0 316.449 2.532 20 0 DFADRP C[C@H](NCc1nnc(C2CC[NH2+]CC2)[nH]1)c1ccccc1Cl ZINC000577741036 318214186 /nfs/dbraw/zinc/21/41/86/318214186.db2.gz TUBNBNJUKLCWNQ-NSHDSACASA-N 2 0 319.840 2.776 20 0 DFADRP C[C@H]1[C@@H]([NH2+]CC2CC[NH2+]CC2)CCCN1Cc1ccccc1 ZINC000578230977 318246766 /nfs/dbraw/zinc/24/67/66/318246766.db2.gz JRKXJBUMVHJGTM-LPHOPBHVSA-N 2 0 301.478 2.629 20 0 DFADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+][C@@H]1CCN(c2ncccc2F)C1 ZINC000578518476 318266482 /nfs/dbraw/zinc/26/64/82/318266482.db2.gz HAISIOOTMOKIAG-OWCLPIDISA-N 2 0 320.456 2.700 20 0 DFADRP C[NH+]1CCC(Oc2ccc(C[NH2+][C@@H]3CCC[C@H]([NH3+])C3)cc2)CC1 ZINC000578522819 318267357 /nfs/dbraw/zinc/26/73/57/318267357.db2.gz YBBYQRIZUHQKRO-DLBZAZTESA-N 3 0 317.477 2.519 20 0 DFADRP c1ccc(-c2ncc(C[N@H+]3CC[C@H]4C[NH2+]C[C@H]4CC3)cn2)cc1 ZINC000578626195 318273947 /nfs/dbraw/zinc/27/39/47/318273947.db2.gz DKRVZSOZDNKNED-HDICACEKSA-N 2 0 308.429 2.575 20 0 DFADRP CN(CC[N@H+](C)C1CCCCC1)C(=O)c1ccccc1CC[NH3+] ZINC000578638129 318274667 /nfs/dbraw/zinc/27/46/67/318274667.db2.gz WJSAIKPRGHMSRY-UHFFFAOYSA-N 2 0 317.477 2.524 20 0 DFADRP CCCOc1ccc(C[NH+]2CCC([C@@H]3OCC[C@H]3[NH3+])CC2)cc1 ZINC000578891705 318293572 /nfs/dbraw/zinc/29/35/72/318293572.db2.gz FGSRTONKKFUUJI-MOPGFXCFSA-N 2 0 318.461 2.804 20 0 DFADRP C[C@H](C[NH+]1CCC(N2CCOC[C@@H]2C)CC1)c1ccccc1 ZINC000578905029 318294514 /nfs/dbraw/zinc/29/45/14/318294514.db2.gz YHGVVBGQWANQPG-SJORKVTESA-N 2 0 302.462 2.975 20 0 DFADRP CCS(=O)(=O)c1ccc([C@H](C)[NH2+][C@@H](C)[C@H]2CCC[NH2+]C2)cc1 ZINC000578978793 318298924 /nfs/dbraw/zinc/29/89/24/318298924.db2.gz GXBSFXNHZRFXHI-DZKIICNBSA-N 2 0 324.490 2.519 20 0 DFADRP COc1c(C)nc(C2CC2)nc1N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000579005229 318301564 /nfs/dbraw/zinc/30/15/64/318301564.db2.gz TUVXDZRTNJOKKG-OAHLLOKOSA-N 2 0 316.449 2.736 20 0 DFADRP C[NH2+]CCC[NH2+][C@@H](C)CC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000579087333 318305786 /nfs/dbraw/zinc/30/57/86/318305786.db2.gz PNYNHFMDHBKSIF-NSHDSACASA-N 2 0 317.355 2.622 20 0 DFADRP [NH3+][C@H](CCC(=O)N1CC[C@]2(C1)CCC[NH2+]C2)CC1CCCCC1 ZINC000579101297 318306998 /nfs/dbraw/zinc/30/69/98/318306998.db2.gz CVMHJXBHRCBSPV-IEBWSBKVSA-N 2 0 321.509 2.666 20 0 DFADRP Cc1nn(-c2ccccc2)c(C)c1C[NH2+][C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000579225089 318315539 /nfs/dbraw/zinc/31/55/39/318315539.db2.gz BIBJMIJRIMSJOR-WMLDXEAASA-N 2 0 312.461 2.967 20 0 DFADRP COc1cncc(/C=C/CC[N@@H+]2CC[C@@H](c3nccn3C)C2)c1 ZINC000579254450 318318362 /nfs/dbraw/zinc/31/83/62/318318362.db2.gz JTCBDAKCPOREIQ-LLCTXKFZSA-N 2 0 312.417 2.717 20 0 DFADRP C[N@@H+]1CCC[C@H](CNCc2cnccn2)[C@H]1c1cccs1 ZINC000579325006 318322326 /nfs/dbraw/zinc/32/23/26/318322326.db2.gz GHAQDGDHMNIOSX-CJNGLKHVSA-N 2 0 302.447 2.711 20 0 DFADRP [NH3+][C@H]1CCC[C@@H]1[NH2+]C1CCN(c2nc3ccccc3s2)CC1 ZINC000579462122 318331877 /nfs/dbraw/zinc/33/18/77/318331877.db2.gz HSBXAZZZPJONAI-KBPBESRZSA-N 2 0 316.474 2.735 20 0 DFADRP CN(CC[NH2+]C(C)(C)C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000382721945 323301140 /nfs/dbraw/zinc/30/11/40/323301140.db2.gz NSJARHFGDNPEDY-GOSISDBHSA-N 2 0 303.494 2.828 20 0 DFADRP C[C@@H](NCCC[NH2+]C1CC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000382605856 323301756 /nfs/dbraw/zinc/30/17/56/323301756.db2.gz WUETYESUQZQOEB-SJLPKXTDSA-N 2 0 301.478 2.629 20 0 DFADRP CC[NH+](CC)Cc1ccc(CNC(=O)[C@H]2CCC[NH2+][C@H]2C)cc1 ZINC000384261279 323306121 /nfs/dbraw/zinc/30/61/21/323306121.db2.gz OMCUXBYGXOYRCK-YJBOKZPZSA-N 2 0 317.477 2.533 20 0 DFADRP C[C@H]1[NH2+]CCC[C@H]1C(=O)Nc1ccc(C[NH+]2CCCC2)cc1 ZINC000384238720 323306232 /nfs/dbraw/zinc/30/62/32/323306232.db2.gz ILHFJIVWOWJWQH-RHSMWYFYSA-N 2 0 301.434 2.609 20 0 DFADRP C[C@H](NC1CC[NH+](Cc2ccccc2)CC1)[C@H]1CCCC[NH2+]1 ZINC000386534705 323318962 /nfs/dbraw/zinc/31/89/62/323318962.db2.gz BLCOHHLRFVAFPG-QFBILLFUSA-N 2 0 301.478 2.771 20 0 DFADRP C[C@H](N[C@@H]1CCC[N@H+](Cc2ccccc2)C1)[C@H]1CCCC[NH2+]1 ZINC000386573007 323319509 /nfs/dbraw/zinc/31/95/09/323319509.db2.gz MHHPGCXAJBCADQ-QXAKKESOSA-N 2 0 301.478 2.771 20 0 DFADRP C[C@H](NC[C@H](c1ccccc1)[NH+]1CCCC1)[C@H]1CCCC[NH2+]1 ZINC000386629945 323319899 /nfs/dbraw/zinc/31/98/99/323319899.db2.gz ZXKTZIGTATWQIH-QXAKKESOSA-N 2 0 301.478 2.944 20 0 DFADRP Cc1cc(C)cc(OC[C@H](O)C[NH2+]C2CC[NH+](C(C)C)CC2)c1 ZINC000387470831 323324657 /nfs/dbraw/zinc/32/46/57/323324657.db2.gz YUKZTPUUAVIRRX-GOSISDBHSA-N 2 0 320.477 2.506 20 0 DFADRP O=C(C[C@H]1CCC[NH2+]C1)Nc1ccc(C[NH+]2CCCC2)cc1 ZINC000387573134 323326401 /nfs/dbraw/zinc/32/64/01/323326401.db2.gz XKPMUEQDBQYNIM-MRXNPFEDSA-N 2 0 301.434 2.611 20 0 DFADRP CC[NH+](CC)CCC[C@@H](C)NC(=O)[C@@H]1C[NH2+]Cc2ccccc21 ZINC000390913340 323343246 /nfs/dbraw/zinc/34/32/46/323343246.db2.gz ZSWMDLXHXAROBY-CRAIPNDOSA-N 2 0 317.477 2.500 20 0 DFADRP [NH3+][C@H](Cc1ccccc1)C(=O)Nc1ccc(C[NH+]2CCCC2)cc1 ZINC000392014221 323347060 /nfs/dbraw/zinc/34/70/60/323347060.db2.gz TYJGIMYNMZYCJS-LJQANCHMSA-N 2 0 323.440 2.791 20 0 DFADRP CC(C)[C@@H](CO)C[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000394078192 323349483 /nfs/dbraw/zinc/34/94/83/323349483.db2.gz WSSMPTFSKGEWAM-GOSISDBHSA-N 2 0 304.478 2.548 20 0 DFADRP CC(C)C[C@@H](C[NH2+]C1CCC(O)(C(F)(F)F)CC1)N(C)C ZINC000396323774 323352735 /nfs/dbraw/zinc/35/27/35/323352735.db2.gz NYXZXIAVCDYVPH-MOKVOYLWSA-N 2 0 310.404 2.788 20 0 DFADRP CCC[NH+]1CCN(c2ccccc2C[NH2+][C@H](CC)COC)CC1 ZINC000581441020 323524409 /nfs/dbraw/zinc/52/44/09/323524409.db2.gz ZGFLEICCAMVONV-GOSISDBHSA-N 2 0 319.493 2.733 20 0 DFADRP CC(C)[NH+](CCCNC(=O)C[C@H](C)[C@H]1CCC[NH2+]C1)C(C)C ZINC000583201844 323812818 /nfs/dbraw/zinc/81/28/18/323812818.db2.gz OLQOMNRTQLOEQL-IRXDYDNUSA-N 2 0 311.514 2.637 20 0 DFADRP C[NH+](C)Cc1ccc(NC(=O)c2ccc3c(c2)CC[NH2+]CC3)cc1 ZINC000583378929 323844310 /nfs/dbraw/zinc/84/43/10/323844310.db2.gz VRGWGVJWGKONEA-UHFFFAOYSA-N 2 0 323.440 2.689 20 0 DFADRP C[C@@H]([NH2+]CC1CC[NH+](C)CC1)c1cncc(Br)c1 ZINC000583824045 323920417 /nfs/dbraw/zinc/92/04/17/323920417.db2.gz QJEGNZMSZCRKIC-LLVKDONJSA-N 2 0 312.255 2.837 20 0 DFADRP OCc1ccccc1C[NH2+][C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000584166800 331849826 /nfs/dbraw/zinc/84/98/26/331849826.db2.gz CLJSURJRJXSQLT-UYAOXDASSA-N 2 0 324.424 2.524 20 0 DFADRP [NH3+][C@@H]1CCC[C@@H]([NH2+]CCc2nc3ccccc3n2C(F)F)C1 ZINC000584301865 332231353 /nfs/dbraw/zinc/23/13/53/332231353.db2.gz ITXKKPVKBSWZCQ-VXGBXAGGSA-N 2 0 308.376 2.833 20 0 DFADRP C[C@H](Cc1ccoc1)[NH2+]CC1(N2CCCCC2)CC[NH+](C)CC1 ZINC000449169854 500922808 /nfs/dbraw/zinc/92/28/08/500922808.db2.gz PRHBNGAGUORYJN-QGZVFWFLSA-N 2 0 319.493 2.751 20 0 DFADRP C[C@H](CC(C)(C)C)[NH2+]Cc1ccc(C(=O)NCC[NH+](C)C)cc1 ZINC000294947300 533722197 /nfs/dbraw/zinc/72/21/97/533722197.db2.gz DBXOUWZKQYOVHM-OAHLLOKOSA-N 2 0 319.493 2.892 20 0 DFADRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+]C1CC(C)(c2ccccc2)C1 ZINC000297562379 533918322 /nfs/dbraw/zinc/91/83/22/533918322.db2.gz HGOGJDDYBACSLY-QHGAOEGBSA-N 2 0 315.505 2.722 20 0 DFADRP C[C@@H](C[NH2+]C[C@@H](O)C[NH+]1CCCCC1)c1cc(F)cc(F)c1 ZINC000295342959 534058527 /nfs/dbraw/zinc/05/85/27/534058527.db2.gz BJJDMDQPAFYXSD-SUMWQHHRSA-N 2 0 312.404 2.505 20 0 DFADRP CC(C)[N@H+](C)CC(=O)N1CCC(CC[NH+]2CCCC[C@H]2C)CC1 ZINC000157670974 519606838 /nfs/dbraw/zinc/60/68/38/519606838.db2.gz LIOVXKQGYUQPKF-QGZVFWFLSA-N 2 0 323.525 2.830 20 0 DFADRP CC(C)[N@H+](C)CC(=O)N1CCC(CC[NH+]2CCCC[C@@H]2C)CC1 ZINC000157671109 519606932 /nfs/dbraw/zinc/60/69/32/519606932.db2.gz LIOVXKQGYUQPKF-KRWDZBQOSA-N 2 0 323.525 2.830 20 0 DFADRP CC(C)n1ncnc1C[NH+]1CCC2(C[C@H]2C[N@H+](C)C2CC2)CC1 ZINC000365032050 520128307 /nfs/dbraw/zinc/12/83/07/520128307.db2.gz DVAYUXMJDCMVSH-HNNXBMFYSA-N 2 0 317.481 2.555 20 0 DFADRP Cc1ccc2[nH+]ccc(N[C@@H](C)CC[NH+]3CCN(C)CC3)c2c1 ZINC000302274990 534522670 /nfs/dbraw/zinc/52/26/70/534522670.db2.gz SRPDIZWUYDHPJF-INIZCTEOSA-N 2 0 312.461 2.981 20 0 DFADRP CC(C)(C)C1CCC(C[NH+]2CCN([C@H]3CC[NH2+]C3)CC2)CC1 ZINC000262443404 534554626 /nfs/dbraw/zinc/55/46/26/534554626.db2.gz GZOSFBLRPSHFRG-ABHNRTSZSA-N 2 0 307.526 2.818 20 0 DFADRP CCOc1ccccc1[C@@H](C)[NH2+]CCCN1CC[NH+](CC)CC1 ZINC000154314426 521570807 /nfs/dbraw/zinc/57/08/07/521570807.db2.gz FYUZUZGGMPUANW-QGZVFWFLSA-N 2 0 319.493 2.764 20 0 DFADRP CCC[NH+](CCC)CCCC(=O)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000365302991 521643780 /nfs/dbraw/zinc/64/37/80/521643780.db2.gz RPBYNQFIPLZVKE-GOSISDBHSA-N 2 0 323.525 2.833 20 0 DFADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]CC2CCSCC2)[C@@H](C)C1 ZINC000361396095 521707827 /nfs/dbraw/zinc/70/78/27/521707827.db2.gz DIBRLSSMBIYSIE-RDJZCZTQSA-N 2 0 314.539 2.856 20 0 DFADRP [NH3+]CC1(CC(=O)Nc2ccc3c(c2)C[NH2+]CC3)CCCCC1 ZINC000294992887 534591394 /nfs/dbraw/zinc/59/13/94/534591394.db2.gz HRWQQOSMLUGKKJ-UHFFFAOYSA-N 2 0 301.434 2.570 20 0 DFADRP Cc1[nH+]c2ccccc2c(NC[C@H](C)[NH+]2CCN(C)CC2)c1C ZINC000302101705 534671502 /nfs/dbraw/zinc/67/15/02/534671502.db2.gz VILNZHRBEWPWOY-AWEZNQCLSA-N 2 0 312.461 2.899 20 0 DFADRP COC(=O)C[C@@H]1CC[C@@H]([NH2+]CCCCC[NH+]2CCCC2)[C@H]1C ZINC000339499019 523287282 /nfs/dbraw/zinc/28/72/82/523287282.db2.gz XNJIIDDMZXJYCK-YESZJQIVSA-N 2 0 310.482 2.820 20 0 DFADRP CCc1ccc([C@@H](C)[NH2+]CCCCN2CC[NH+](CC)CC2)o1 ZINC000154549764 524023623 /nfs/dbraw/zinc/02/36/23/524023623.db2.gz YVKLBDRRPSZWTH-MRXNPFEDSA-N 2 0 307.482 2.910 20 0 DFADRP COc1cccc([C@@H](CNC2C[C@H]3CC[C@@H](C2)[N@H+]3C)[NH+](C)C)c1 ZINC000249067443 524098555 /nfs/dbraw/zinc/09/85/55/524098555.db2.gz VTSXCIAFNAXJHJ-RGPMPMONSA-N 2 0 317.477 2.513 20 0 DFADRP Cc1ccc(C[NH+]2CCC(C[NH+]3C[C@H](C)O[C@@H](C)C3)CC2)nc1 ZINC000158104717 524437959 /nfs/dbraw/zinc/43/79/59/524437959.db2.gz LYOGUQYJZXEMDU-IRXDYDNUSA-N 2 0 317.477 2.711 20 0 DFADRP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCN(c3ccc(F)c(F)c3)C2)CC[N@@H+]1C ZINC000157942688 525440349 /nfs/dbraw/zinc/44/03/49/525440349.db2.gz UJOVAEMLZLABQY-QLFBSQMISA-N 2 0 323.431 2.863 20 0 DFADRP Cc1cccn2c(C[NH2+]CCCCC[NH+]3CCCC3)cnc12 ZINC000339499874 525467857 /nfs/dbraw/zinc/46/78/57/525467857.db2.gz JRJXDRWVGCUYAG-UHFFFAOYSA-N 2 0 300.450 2.998 20 0 DFADRP Cc1csc(N2CCC([NH2+]CCC[N@@H+](C)C(C)C)CC2)n1 ZINC000361344188 526376107 /nfs/dbraw/zinc/37/61/07/526376107.db2.gz PWCFOGBGBDQNQN-UHFFFAOYSA-N 2 0 310.511 2.740 20 0 DFADRP CCOC(=O)[C@@H]1CC[C@@H]([NH2+]Cc2ccc3c[nH+]cn3c2)C[C@@H]1C ZINC000297525715 527859176 /nfs/dbraw/zinc/85/91/76/527859176.db2.gz NPILPBTYIGRHKQ-YSVLISHTSA-N 2 0 315.417 2.792 20 0 DFADRP CC1(C)[C@H]([NH2+]C[C@@H]2CC[N@H+](Cc3ccccc3)C2)[C@@H]2CCO[C@@H]21 ZINC000309654290 527870230 /nfs/dbraw/zinc/87/02/30/527870230.db2.gz BBKUNBMCHOLJCA-OKYOBFRVSA-N 2 0 314.473 2.912 20 0 DFADRP CCN(CCC[NH+](CC)CC)C(=O)[C@@H](C)[C@@H]([NH3+])c1ccccc1 ZINC000322978598 528102169 /nfs/dbraw/zinc/10/21/69/528102169.db2.gz YRCJOQDZRVUOBN-FUHWJXTLSA-N 2 0 319.493 2.903 20 0 DFADRP CCN(CCC[NH+](CC)CC)C(=O)[C@H](C)[C@H]([NH3+])c1ccccc1 ZINC000322978597 528102934 /nfs/dbraw/zinc/10/29/34/528102934.db2.gz YRCJOQDZRVUOBN-AEFFLSMTSA-N 2 0 319.493 2.903 20 0 DFADRP CCC[NH+]1CCC([N@H+](C)C[C@@H](O)Cc2ccc(F)cc2)CC1 ZINC000292875974 528195636 /nfs/dbraw/zinc/19/56/36/528195636.db2.gz SXYUEWGPARQCKD-SFHVURJKSA-N 2 0 308.441 2.535 20 0 DFADRP CCCC[N@H+](C)CC1CCN(C(=O)C[C@H]2CCCC[C@H]2[NH3+])CC1 ZINC000324289398 528336281 /nfs/dbraw/zinc/33/62/81/528336281.db2.gz IWHSZQWBLGRFSU-QZTJIDSGSA-N 2 0 323.525 2.865 20 0 DFADRP CCCC[N@H+](C)CC1CC[NH+](C[C@H](O)c2cccnc2)CC1 ZINC000295573801 528338318 /nfs/dbraw/zinc/33/83/18/528338318.db2.gz RJRHLIUQYXNSNE-SFHVURJKSA-N 2 0 305.466 2.559 20 0 DFADRP CC1(C)CC[C@H]([NH2+]Cc2ccccc2C[N@@H+]2CC[C@@H](O)C2)C1 ZINC000294920984 529048412 /nfs/dbraw/zinc/04/84/12/529048412.db2.gz BLQVRXMZPXZMRJ-ZWKOTPCHSA-N 2 0 302.462 2.922 20 0 DFADRP CCC[N@@H+]1CC[C@H](C[NH2+][C@H]2CCC(=O)Nc3ccc(F)cc32)C1 ZINC000361033287 534958578 /nfs/dbraw/zinc/95/85/78/534958578.db2.gz JGTQGFPNZASQIL-CJNGLKHVSA-N 2 0 319.424 2.921 20 0 DFADRP CC(C)N(C)c1ccc(C[N@@H+]2CCC3(C2)CC[NH2+]CC3)cn1 ZINC000261990637 535026141 /nfs/dbraw/zinc/02/61/41/535026141.db2.gz KGQGDDFICYBJTE-UHFFFAOYSA-N 2 0 302.466 2.502 20 0 DFADRP CC(C)[NH+]1CCC(O)(C[NH2+][C@@H]2Cc3ccc(Cl)cc3C2)CC1 ZINC000360245238 535166077 /nfs/dbraw/zinc/16/60/77/535166077.db2.gz MDTUSTURCSNCBR-QGZVFWFLSA-N 2 0 322.880 2.632 20 0 DFADRP CC[NH+](CC)CC1CC[NH+](Cc2cccc(C(=O)NC)c2)CC1 ZINC000356579776 535496895 /nfs/dbraw/zinc/49/68/95/535496895.db2.gz QBMNIGRRJGHTIV-UHFFFAOYSA-N 2 0 317.477 2.600 20 0 DFADRP CC[NH+](CC)C[C@@H](C)NC(=O)[C@H](c1ccccc1)[NH+](CC)CC ZINC000355594282 535575854 /nfs/dbraw/zinc/57/58/54/535575854.db2.gz KPEDUMAMNKRFMO-AEFFLSMTSA-N 2 0 319.493 2.916 20 0 DFADRP CCOC(=O)C1CCC([NH2+]CC(C)(C)C[NH+]2CCCC2)CC1 ZINC000361646538 535594549 /nfs/dbraw/zinc/59/45/49/535594549.db2.gz HMHALQFUTLZCSA-UHFFFAOYSA-N 2 0 310.482 2.820 20 0 DFADRP CC[NH+](CC)Cc1ccc(-c2nc(C[C@H](C)[NH2+]C)no2)cc1 ZINC000261877086 535599822 /nfs/dbraw/zinc/59/98/22/535599822.db2.gz VXISQESCSLVBPU-ZDUSSCGKSA-N 2 0 302.422 2.729 20 0 DFADRP CC[NH+](CC)Cc1ccccc1CNC(=O)[C@@H]1C[C@@H](C)CC[NH2+]1 ZINC000261927227 535610570 /nfs/dbraw/zinc/61/05/70/535610570.db2.gz SJHGKIYMYCSAQZ-YJBOKZPZSA-N 2 0 317.477 2.533 20 0 DFADRP CC[NH+](CC)Cc1ccccc1CNC(=O)[C@H]1C[C@@H](C)CC[NH2+]1 ZINC000261927223 535611075 /nfs/dbraw/zinc/61/10/75/535611075.db2.gz SJHGKIYMYCSAQZ-MAUKXSAKSA-N 2 0 317.477 2.533 20 0 DFADRP CCC[C@H]([NH2+]C(C)C)C(=O)NCC[N@H+](C)Cc1ccc(F)cc1 ZINC000354511024 535698483 /nfs/dbraw/zinc/69/84/83/535698483.db2.gz LUWKOQXYTDHHAC-KRWDZBQOSA-N 2 0 323.456 2.540 20 0 DFADRP C[NH+](C)Cc1ccc(-c2noc([C@]3(C)CCCC[NH2+]3)n2)cc1 ZINC000261669074 535994569 /nfs/dbraw/zinc/99/45/69/535994569.db2.gz GBLDFGWJXSMZJH-KRWDZBQOSA-N 2 0 300.406 2.787 20 0 DFADRP COc1ccc(CC[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)cc1OC ZINC000261842235 536840370 /nfs/dbraw/zinc/84/03/70/536840370.db2.gz YUSUUZGJBOSKCQ-GVDBMIGSSA-N 2 0 318.461 2.757 20 0 DFADRP COc1ccc(CC[NH2+][C@H]2C[C@@H]([NH3+])c3ccccc32)cc1OC ZINC000261959520 536842437 /nfs/dbraw/zinc/84/24/37/536842437.db2.gz XKRDLBKRHSHSIS-SJORKVTESA-N 2 0 312.413 2.981 20 0 DFADRP Cc1ccc2[nH+]ccc(N3CC[NH+](C[C@@H]4CCCO4)CC3)c2c1 ZINC000680620161 545519646 /nfs/dbraw/zinc/51/96/46/545519646.db2.gz MXZACCNIWCJKSC-INIZCTEOSA-N 2 0 311.429 2.844 20 0 DFADRP CC[C@@H]1CN(C(=O)C(C)C)CC[C@H]1[NH2+]CC[C@@H]1CCCC[N@@H+]1C ZINC000681451749 545642437 /nfs/dbraw/zinc/64/24/37/545642437.db2.gz ZXDZJOHAGMYCEX-FGTMMUONSA-N 2 0 323.525 2.734 20 0 DFADRP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)[C@H]2CCc3ccccc32)CC1 ZINC000682073647 545788760 /nfs/dbraw/zinc/78/87/60/545788760.db2.gz VRAHBIDAEGEJBS-BEFAXECRSA-N 2 0 302.462 2.699 20 0 DFADRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H]2CCS[C@H]2C)[C@@H](C)C1 ZINC000682159067 545808604 /nfs/dbraw/zinc/80/86/04/545808604.db2.gz KZJRFKOKQUJUQV-YHUYYLMFSA-N 2 0 300.512 2.607 20 0 DFADRP FC(F)COCC[NH+]1CCC(C[NH+]2CCCCCC2)CC1 ZINC000682518774 545866525 /nfs/dbraw/zinc/86/65/25/545866525.db2.gz SPXWILSZFIWERU-UHFFFAOYSA-N 2 0 304.425 2.856 20 0 DFADRP C[C@@H](O)[C@@](C)(C[NH2+][C@@H](C)C1CC[NH+](C)CC1)Cc1ccccc1 ZINC000682914394 545940333 /nfs/dbraw/zinc/94/03/33/545940333.db2.gz NGODDPKPLPZARR-SQGPQFPESA-N 2 0 318.505 2.936 20 0 DFADRP CC[NH+](CC)CCC[N@H+]1C[C@H]2CN(c3ccccc3)C[C@H]2C1 ZINC000683141658 545978349 /nfs/dbraw/zinc/97/83/49/545978349.db2.gz PXVKRIBWXKHRJT-HDICACEKSA-N 2 0 301.478 2.787 20 0 DFADRP C[NH+](C)CCOc1ccc(CN2CCC[C@H]([NH+](C)C)CC2)cc1 ZINC000683357835 546018628 /nfs/dbraw/zinc/01/86/28/546018628.db2.gz ABTCMXSMSDOIHP-SFHVURJKSA-N 2 0 319.493 2.543 20 0 DFADRP Cc1ccc(CN2CCN([C@H]3CCC[N@@H+](C)C3)CC2)cc1Cl ZINC000683698997 546078413 /nfs/dbraw/zinc/07/84/13/546078413.db2.gz ZKRWBGIKCLHLBB-KRWDZBQOSA-N 2 0 321.896 2.860 20 0 DFADRP Oc1ccc2c(c1)CC[C@@H]([NH2+]C1CC[NH+](CC3CC3)CC1)C2 ZINC000683722296 546081810 /nfs/dbraw/zinc/08/18/10/546081810.db2.gz DBGKOIUQYDXQIN-GOSISDBHSA-N 2 0 300.446 2.714 20 0 DFADRP Cc1ccncc1C[N@@H+](C)Cc1ccc(OCC[NH+](C)C)cc1 ZINC000684425285 546215798 /nfs/dbraw/zinc/21/57/98/546215798.db2.gz KEWBEFIPONXQGM-UHFFFAOYSA-N 2 0 313.445 2.962 20 0 DFADRP Clc1ccc(OCC2CC2)c(CN2C[C@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000684616169 546253506 /nfs/dbraw/zinc/25/35/06/546253506.db2.gz FNGWUJYNJAGDEH-HUUCEWRRSA-N 2 0 306.837 2.780 20 0 DFADRP C[NH+](C)CCOc1ccc(C[N@H+](C)Cc2ccc(O)cc2)cc1 ZINC000685462418 546355112 /nfs/dbraw/zinc/35/51/12/546355112.db2.gz FYHRWJKDFGEYGB-UHFFFAOYSA-N 2 0 314.429 2.965 20 0 DFADRP CSc1ccc(C[NH2+]CC(C)(C)N2CC[NH+](C)CC2)s1 ZINC000685612770 546375264 /nfs/dbraw/zinc/37/52/64/546375264.db2.gz UVEIFZOVGYMMJD-UHFFFAOYSA-N 2 0 313.536 2.586 20 0 DFADRP COCC[C@@H](COC)[NH2+][C@H]1CN(Cc2ccccc2)C(C)(C)C1 ZINC000685664056 546383060 /nfs/dbraw/zinc/38/30/60/546383060.db2.gz AXHGWVLWCBDUOB-ZWKOTPCHSA-N 2 0 320.477 2.681 20 0 DFADRP Cc1cc(C[NH2+][C@H](C)C2CC[NH+](C)CC2)cc(N2CCCC2)n1 ZINC000685661189 546383414 /nfs/dbraw/zinc/38/34/14/546383414.db2.gz CQWGYENJTAJVDV-MRXNPFEDSA-N 2 0 316.493 2.810 20 0 DFADRP C[NH+](C)CCOc1ccc(C[NH2+][C@@H](C2CC2)C(C)(C)CO)cc1 ZINC000685850935 546399967 /nfs/dbraw/zinc/39/99/67/546399967.db2.gz OSXICIKCDRWLJY-SFHVURJKSA-N 2 0 320.477 2.514 20 0 DFADRP C[NH+](C)CCOc1ccc(C[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C2(C)C)cc1 ZINC000278249351 214047807 /nfs/dbraw/zinc/04/78/07/214047807.db2.gz MLCNQKCELKWPHD-KSZLIROESA-N 2 0 318.461 2.530 20 0 DFADRP C[NH+](C)CCOc1cccc(C[NH2+][C@H]2[C@@H]3CCO[C@@H]3C2(C)C)c1 ZINC000278259914 214053726 /nfs/dbraw/zinc/05/37/26/214053726.db2.gz NRWSITSIVMQYIA-BZSNNMDCSA-N 2 0 318.461 2.530 20 0 DFADRP C[NH+](C)C[C@@H]1CCCCN1C(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000365782537 282118862 /nfs/dbraw/zinc/11/88/62/282118862.db2.gz DJGCLECLOXWVNY-WMZOPIPTSA-N 2 0 321.509 2.584 20 0 DFADRP COc1ccc([C@@H](C)[NH2+]CCC[N@@H+]2CCCO[C@H](C)C2)cc1F ZINC000278459495 214167470 /nfs/dbraw/zinc/16/74/70/214167470.db2.gz JAIMOMLZXPOBJS-HUUCEWRRSA-N 2 0 324.440 2.986 20 0 DFADRP C[NH+](C)CCOc1ccc(CC[NH2+]C[C@H]2CCSC2)cc1 ZINC000278531789 214216783 /nfs/dbraw/zinc/21/67/83/214216783.db2.gz RTRSNZDYGQWEJA-MRXNPFEDSA-N 2 0 308.491 2.512 20 0 DFADRP COC(=O)c1coc([C@@H](C)[NH2+]CC2CC[NH+](C3CC3)CC2)c1 ZINC000278536940 214220530 /nfs/dbraw/zinc/22/05/30/214220530.db2.gz URBKIFHACYXLOF-GFCCVEGCSA-N 2 0 306.406 2.591 20 0 DFADRP CCCC[C@H](C[NH3+])NC(=O)[C@H](c1ccccc1)[NH+](CC)CC ZINC000236904459 282953337 /nfs/dbraw/zinc/95/33/37/282953337.db2.gz WAFKDWIRGGVKQL-SJORKVTESA-N 2 0 305.466 2.703 20 0 DFADRP C[N@H+](CCCNC(=O)[C@H]1C[C@@H]2CCCC[NH+]2C1)C1CCCCC1 ZINC000081524732 398356252 /nfs/dbraw/zinc/35/62/52/398356252.db2.gz YTDMWCLNWHDHPW-WMZOPIPTSA-N 2 0 321.509 2.632 20 0 DFADRP C[NH+]1CCC(C[NH2+]Cc2cc(Cl)c3c(c2)OCCCO3)CC1 ZINC000065996776 398354065 /nfs/dbraw/zinc/35/40/65/398354065.db2.gz LQFYLFNNKZMIOV-UHFFFAOYSA-N 2 0 324.852 2.933 20 0 DFADRP Cc1[nH+]ccc(N2CCN(C3CC[NH+](C)CC3)[C@@H](C)C2)c1Cl ZINC000355096382 282187037 /nfs/dbraw/zinc/18/70/37/282187037.db2.gz OEQKHPOJWPPJBJ-ZDUSSCGKSA-N 2 0 322.884 2.648 20 0 DFADRP C[NH+](C)CC[C@H](NC(=O)CC[C@H]([NH3+])c1ccccc1)C(C)(C)C ZINC000236986169 398365239 /nfs/dbraw/zinc/36/52/39/398365239.db2.gz RCUIVISDRALSDA-IRXDYDNUSA-N 2 0 319.493 2.949 20 0 DFADRP C[NH+](C)CC[C@@H](NC(=O)CC[C@H]([NH3+])c1ccccc1)C(C)(C)C ZINC000236982490 398365618 /nfs/dbraw/zinc/36/56/18/398365618.db2.gz RCUIVISDRALSDA-DLBZAZTESA-N 2 0 319.493 2.949 20 0 DFADRP C[C@H](CNC(=O)CC[C@@H]([NH3+])c1ccccc1)C[NH+]1CCCCC1 ZINC000237396958 398369685 /nfs/dbraw/zinc/36/96/85/398369685.db2.gz SWUJEHHAVSHYPB-SJLPKXTDSA-N 2 0 317.477 2.705 20 0 DFADRP CC(C)[C@@H]([NH3+])C(=O)NC[C@H](c1ccccc1)[NH+]1CCC(C)CC1 ZINC000165724602 197681319 /nfs/dbraw/zinc/68/13/19/197681319.db2.gz YOHCNEMMNDGCQN-QZTJIDSGSA-N 2 0 317.477 2.559 20 0 DFADRP C[NH+](C)CCNC(=O)c1ccc(C[NH2+][C@H]2CCCC2(C)C)cc1 ZINC000090038864 185279154 /nfs/dbraw/zinc/27/91/54/185279154.db2.gz LKXFOZMOXRBIHH-KRWDZBQOSA-N 2 0 317.477 2.646 20 0 DFADRP COCCOc1ccccc1C[NH+]1CCC(CC[NH+](C)C)CC1 ZINC000092381267 185314840 /nfs/dbraw/zinc/31/48/40/185314840.db2.gz KGLHIGVXIIKOFG-UHFFFAOYSA-N 2 0 320.477 2.876 20 0 DFADRP CC[C@H](O)C[NH+]1CCN(c2c(C)c(C)[nH+]c3ccccc32)CC1 ZINC000302101124 529702386 /nfs/dbraw/zinc/70/23/86/529702386.db2.gz VBLNNRCWPGJDHN-INIZCTEOSA-N 2 0 313.445 2.745 20 0 DFADRP CCO[C@@H]1C[C@H]([NH2+]C[C@H](C)C[NH+]2CCCCC2)[C@H]1SC ZINC000459387725 299093423 /nfs/dbraw/zinc/09/34/23/299093423.db2.gz JWVUMFRUWRDQNS-CAOSSQGBSA-N 2 0 300.512 2.607 20 0 DFADRP Cc1ncccc1C[NH+]1CCC(C[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000092587501 185327666 /nfs/dbraw/zinc/32/76/66/185327666.db2.gz IMFVKMCAJCJATN-HOTGVXAUSA-N 2 0 317.477 2.711 20 0 DFADRP CN(C)[C@H](C[NH2+][C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1)c1ccccc1 ZINC000262364159 282248582 /nfs/dbraw/zinc/24/85/82/282248582.db2.gz WRUDCBOIKNMEMT-WJFTUGDTSA-N 2 0 301.478 2.800 20 0 DFADRP C[C@@H]1C[NH+](CCCC[NH2+]Cc2cccc3c[nH]nc32)C[C@@H](C)O1 ZINC000084018227 398392288 /nfs/dbraw/zinc/39/22/88/398392288.db2.gz DOKDOSSPWWDSFO-HUUCEWRRSA-N 2 0 316.449 2.542 20 0 DFADRP OC[C@H]1CCC[N@@H+]1CCCC[NH2+]Cc1ccc(C2CC2)cc1 ZINC000459421790 299102412 /nfs/dbraw/zinc/10/24/12/299102412.db2.gz ZSXYCLRQPXLYRA-LJQANCHMSA-N 2 0 302.462 2.891 20 0 DFADRP C[C@@H]([NH2+]CC[C@H]1CC[NH2+]C1)c1ccc(-n2cncn2)cc1Cl ZINC000584834073 398418069 /nfs/dbraw/zinc/41/80/69/398418069.db2.gz SKDBWRYOEALMCJ-CHWSQXEVSA-N 2 0 319.840 2.571 20 0 DFADRP C[C@@H]1C[C@H]([NH2+][C@@H](CN2CC[NH+](C)CC2)c2ccccc2)[C@H]1C ZINC000584875337 398424477 /nfs/dbraw/zinc/42/44/77/398424477.db2.gz VFFMRDCKYQEJLP-NEPXVJNWSA-N 2 0 301.478 2.609 20 0 DFADRP COC(=O)c1cccc(C[N@@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)c1 ZINC000592433660 398425552 /nfs/dbraw/zinc/42/55/52/398425552.db2.gz OBQCAKCFLCEMDL-ZWKOTPCHSA-N 2 0 316.445 2.685 20 0 DFADRP c1sc(N2CCCC2)nc1CC[NH2+]C1CCN(C2CC2)CC1 ZINC000459430638 299104798 /nfs/dbraw/zinc/10/47/98/299104798.db2.gz LFRDQWGBPCMWFP-UHFFFAOYSA-N 2 0 320.506 2.502 20 0 DFADRP COC(=O)c1ccc(C[N@@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)s1 ZINC000592492159 398433675 /nfs/dbraw/zinc/43/36/75/398433675.db2.gz SOOLSKXXNNXAAK-KGLIPLIRSA-N 2 0 322.474 2.746 20 0 DFADRP COC(=O)c1ccc(C[N@@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)s1 ZINC000592492158 398433747 /nfs/dbraw/zinc/43/37/47/398433747.db2.gz SOOLSKXXNNXAAK-KBPBESRZSA-N 2 0 322.474 2.746 20 0 DFADRP CCCC[N@@H+]1CCCC[C@H]1CNC(=O)C[C@H](C)C1CC[NH2+]CC1 ZINC000263240713 398434109 /nfs/dbraw/zinc/43/41/09/398434109.db2.gz GGBIDKKKHIYRAD-WMZOPIPTSA-N 2 0 323.525 2.783 20 0 DFADRP C[C@H](CC(=O)NCC(C)(C)[N@@H+]1CCC[C@H](C)C1)C1CC[NH2+]CC1 ZINC000263288370 398434581 /nfs/dbraw/zinc/43/45/81/398434581.db2.gz VMSIGJUOQSVPOC-JKSUJKDBSA-N 2 0 323.525 2.639 20 0 DFADRP Cn1cccc1C(=O)CN1CCC(C[NH+]2CCCCCC2)CC1 ZINC000585748490 398444571 /nfs/dbraw/zinc/44/45/71/398444571.db2.gz OQJNOVKXSZAILO-UHFFFAOYSA-N 2 0 317.477 2.796 20 0 DFADRP CC1(C)[C@H]([NH2+]C2CCN(c3cc[nH+]cc3)CC2)[C@H]2CCCO[C@@H]21 ZINC000459435279 299106542 /nfs/dbraw/zinc/10/65/42/299106542.db2.gz XJTJGMFJPKJQMI-KURKYZTESA-N 2 0 315.461 2.844 20 0 DFADRP CC[N@H+](Cc1ccc(C(=O)N[C@H]2CCC[NH+](C)C2)cc1)C(C)C ZINC000586754171 398453156 /nfs/dbraw/zinc/45/31/56/398453156.db2.gz UIYUZHUQODGTNC-SFHVURJKSA-N 2 0 317.477 2.741 20 0 DFADRP C[N@@H+]1CCC[C@@H]1C(=O)Nc1cccc(C[NH+]2CCCCC2)c1 ZINC000299598072 530056697 /nfs/dbraw/zinc/05/66/97/530056697.db2.gz XHLVRFOVKNNLEL-QGZVFWFLSA-N 2 0 301.434 2.705 20 0 DFADRP C(Cc1nc2c(s1)CCCC2)[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000089667015 398463006 /nfs/dbraw/zinc/46/30/06/398463006.db2.gz BZUQSCBQZIAZOJ-UONOGXRCSA-N 2 0 305.491 2.781 20 0 DFADRP c1nc2c(n1[C@@H]1CC[N@@H+](Cc3cnc(C4CC4)nc3)C1)CCCC2 ZINC000459486215 299118046 /nfs/dbraw/zinc/11/80/46/299118046.db2.gz FYTAUAZMATWMSS-MRXNPFEDSA-N 2 0 323.444 2.876 20 0 DFADRP COC(=O)c1cc([C@@H](C)N2CC[C@H](C[NH+]3CCCC3)C2)oc1C ZINC000292625995 398485727 /nfs/dbraw/zinc/48/57/27/398485727.db2.gz NFYKBHRHWHQDSD-UKRRQHHQSA-N 2 0 320.433 2.853 20 0 DFADRP C[C@@H](CC[NH2+]C1CC[NH+](C2CCCCC2)CC1)[S@](C)=O ZINC000090516809 398488436 /nfs/dbraw/zinc/48/84/36/398488436.db2.gz JDZPIRQODXPLQT-VBKZILBWSA-N 2 0 300.512 2.530 20 0 DFADRP C[C@@H](C(=O)Nc1ccccc1)[NH+]1CCC(CC[NH+](C)C)CC1 ZINC000056522407 282425819 /nfs/dbraw/zinc/42/58/19/282425819.db2.gz PCLQKQWPBZEQEJ-HNNXBMFYSA-N 2 0 303.450 2.677 20 0 DFADRP COC[C@H]([NH2+]C[C@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1)C1CC1 ZINC000090708536 398491807 /nfs/dbraw/zinc/49/18/07/398491807.db2.gz FKQPKQGGHFYYDU-SUMDDJOVSA-N 2 0 302.462 2.912 20 0 DFADRP CC(C)[N@@H+]1CC[C@@H](C[NH2+][C@H]2CCCN(Cc3ccccc3)C2)C1 ZINC000302907808 398496320 /nfs/dbraw/zinc/49/63/20/398496320.db2.gz YAPGZLFIAGRORG-PMACEKPBSA-N 2 0 315.505 2.971 20 0 DFADRP C[C@H](CCO)C[NH2+][C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000272691508 210097921 /nfs/dbraw/zinc/09/79/21/210097921.db2.gz POABDWRNGIPBCB-BTHPGYMESA-N 2 0 316.489 2.895 20 0 DFADRP Cn1ccnc1[C@@H]([NH2+]C1CCN(c2cc[nH+]cc2)CC1)C1CC1 ZINC000459547723 299130495 /nfs/dbraw/zinc/13/04/95/299130495.db2.gz WNXHXCUDWNMOKX-KRWDZBQOSA-N 2 0 311.433 2.525 20 0 DFADRP CCN1CC[NH+](CCCC[NH2+][C@H](c2cccnc2)C(C)C)CC1 ZINC000091285200 398525238 /nfs/dbraw/zinc/52/52/38/398525238.db2.gz AGHGGFDXQRVXNR-IBGZPJMESA-N 2 0 318.509 2.786 20 0 DFADRP COc1ccc([C@@H](C)[NH2+]C[C@@H](C)CN2CC[NH+](C)CC2)c(C)c1 ZINC000414062749 295762573 /nfs/dbraw/zinc/76/25/73/295762573.db2.gz CBPCCSIIAWPMBA-NVXWUHKLSA-N 2 0 319.493 2.538 20 0 DFADRP COc1ccc([C@@H](C)[NH2+]C[C@H](C)CN2CC[NH+](C)CC2)c(C)c1 ZINC000414062748 295762725 /nfs/dbraw/zinc/76/27/25/295762725.db2.gz CBPCCSIIAWPMBA-DOTOQJQBSA-N 2 0 319.493 2.538 20 0 DFADRP COc1cc2c(cc1C[NH+]1CCC(CC[NH3+])CC1)O[C@H](C)C2 ZINC000316967922 398533241 /nfs/dbraw/zinc/53/32/41/398533241.db2.gz HLFZWFOZOHNMEV-CYBMUJFWSA-N 2 0 304.434 2.579 20 0 DFADRP CCC(CC)(C[NH3+])C(=O)N1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000236642237 201946130 /nfs/dbraw/zinc/94/61/30/201946130.db2.gz CTMGHQSMBSGNFV-KRWDZBQOSA-N 2 0 323.525 2.722 20 0 DFADRP CCn1cc(C[NH2+][C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]23)cn1 ZINC000272613670 210014491 /nfs/dbraw/zinc/01/44/91/210014491.db2.gz WVXUBUPGNUDSHS-VAMGGRTRSA-N 2 0 324.472 2.903 20 0 DFADRP C[C@@H]([NH2+]CC1(C)CC[NH+](C)CC1)c1ccc([S@](C)=O)cc1 ZINC000272610209 210008974 /nfs/dbraw/zinc/00/89/74/210008974.db2.gz VZUGKALSURUGJH-SZNDQCEHSA-N 2 0 308.491 2.807 20 0 DFADRP COC(=O)c1ccc(CNC2CC[NH+](C3CC3)CC2)cc1Cl ZINC000597042968 398553484 /nfs/dbraw/zinc/55/34/84/398553484.db2.gz IFUHMDUUJVBQSB-UHFFFAOYSA-N 2 0 322.836 2.843 20 0 DFADRP CC[NH+](CC)CCC[NH2+][C@@H](C)c1cccc(-n2ccnn2)c1 ZINC000286973260 219251682 /nfs/dbraw/zinc/25/16/82/219251682.db2.gz NWNJIJBCUASVFX-HNNXBMFYSA-N 2 0 301.438 2.650 20 0 DFADRP C[NH+](C)CCOc1ccc(C[NH2+][C@@H](CCO)C(C)(C)C)cc1 ZINC000589510499 398558804 /nfs/dbraw/zinc/55/88/04/398558804.db2.gz VDOVOEBQXGHONW-KRWDZBQOSA-N 2 0 308.466 2.514 20 0 DFADRP C[C@@H](C(=O)N[C@@H](C[NH+](C)C)c1ccccc1)[NH+]1CCCCCC1 ZINC000114227381 295783650 /nfs/dbraw/zinc/78/36/50/295783650.db2.gz LEOBCSVKPRILAK-WMZOPIPTSA-N 2 0 317.477 2.670 20 0 DFADRP COC(=O)c1ccc(C[NH2+]CC[C@@H]2CCC[N@H+](C)C2)cc1Cl ZINC000597151984 398577048 /nfs/dbraw/zinc/57/70/48/398577048.db2.gz UGWLEKVQBSZQAQ-ZDUSSCGKSA-N 2 0 324.852 2.948 20 0 DFADRP Cc1ncc(C[N@H+]2CC[C@@H](C)[C@@H](C(=O)OC(C)(C)C)C2)n1C ZINC000597156137 398577883 /nfs/dbraw/zinc/57/78/83/398577883.db2.gz WYMDOKJJHHTUHB-DOMZBBRYSA-N 2 0 307.438 2.528 20 0 DFADRP C[NH+](C/C=C/C[N@@H+](C)C[C@H]1CCCCO1)C[C@@H]1CCCCO1 ZINC000340171848 398578806 /nfs/dbraw/zinc/57/88/06/398578806.db2.gz MUANJHOPPBUWCP-FBLDJFESSA-N 2 0 310.482 2.544 20 0 DFADRP CN1CC(C[N@H+](C)Cc2cccc(C(=O)OC(C)(C)C)c2)C1 ZINC000597206291 398589917 /nfs/dbraw/zinc/58/99/17/398589917.db2.gz OOCHTMZDWZYZIB-UHFFFAOYSA-N 2 0 304.434 2.635 20 0 DFADRP CC(=O)NCCc1ccc([C@@H](C)[NH2+]CC(C)(C)C[NH+](C)C)cc1 ZINC000092719520 398596263 /nfs/dbraw/zinc/59/62/63/398596263.db2.gz QWBYZIWFWCVCTE-OAHLLOKOSA-N 2 0 319.493 2.604 20 0 DFADRP CCn1c2ccccc2nc1C[N@H+](C)CC1CC[NH+](C)CC1 ZINC000093089365 398618652 /nfs/dbraw/zinc/61/86/52/398618652.db2.gz LKOWDYADULFTOA-UHFFFAOYSA-N 2 0 300.450 2.830 20 0 DFADRP CCc1cccc(C)c1NC(=O)CN(C)C[C@@H]1CCC[N@H+](C)C1 ZINC000152429537 186071879 /nfs/dbraw/zinc/07/18/79/186071879.db2.gz WQLDOTUZKRUEIR-MRXNPFEDSA-N 2 0 317.477 2.770 20 0 DFADRP C[NH+](C)C[C@H](N[C@@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccc(F)cc1 ZINC000287149295 219344191 /nfs/dbraw/zinc/34/41/91/219344191.db2.gz SRHRVTAQEBAUFN-SQNIBIBYSA-N 2 0 305.441 2.645 20 0 DFADRP C[C@H]([NH2+]C1CCN(CC[NH+](C)C)CC1)c1ccc(F)c(F)c1 ZINC000173313444 186175552 /nfs/dbraw/zinc/17/55/52/186175552.db2.gz JJELSNJKPAPJEP-ZDUSSCGKSA-N 2 0 311.420 2.641 20 0 DFADRP CCc1ncc(C[NH+]2CCC(OCC[NH+]3CCCC3)CC2)s1 ZINC000093734910 398643583 /nfs/dbraw/zinc/64/35/83/398643583.db2.gz GZSPBHVCQXJWRH-UHFFFAOYSA-N 2 0 323.506 2.782 20 0 DFADRP C[C@@H]1CCC[N@H+](Cc2ccc(NC(=O)[C@@]3(C)CC[NH2+]C3)cc2)C1 ZINC000237479245 186295862 /nfs/dbraw/zinc/29/58/62/186295862.db2.gz FGKBMJVVZRGPLT-BEFAXECRSA-N 2 0 315.461 2.857 20 0 DFADRP C[C@@H](CC(=O)Nc1ccccc1)[NH2+]CC[C@H]1CCC[N@H+](C)C1 ZINC000459721000 299172571 /nfs/dbraw/zinc/17/25/71/299172571.db2.gz AAWHISVXWCDNMJ-JKSUJKDBSA-N 2 0 303.450 2.725 20 0 DFADRP Cc1ccnc(OC2CC[NH+](C[C@@H]3CC[NH2+][C@@H](C)C3)CC2)c1 ZINC000414704925 295817672 /nfs/dbraw/zinc/81/76/72/295817672.db2.gz DTCRDPVNQWFLCP-JKSUJKDBSA-N 2 0 303.450 2.621 20 0 DFADRP Cc1ccc(-c2n[nH]cc2C[NH2+]CC[C@@H]2CCC[N@@H+](C)C2)o1 ZINC000459729270 299175004 /nfs/dbraw/zinc/17/50/04/299175004.db2.gz IWOWOCDXTVNMNA-AWEZNQCLSA-N 2 0 302.422 2.800 20 0 DFADRP CC(C)(C)CC(=O)N1CCC([NH2+][C@H]2CCCC[C@H]2C[NH3+])CC1 ZINC000414804642 295820955 /nfs/dbraw/zinc/82/09/55/295820955.db2.gz OSIIFGZTRYAKLJ-HOCLYGCPSA-N 2 0 309.498 2.521 20 0 DFADRP COc1ccc(C[C@H](C)[NH2+][C@@H]2CCCC[C@H]2C[NH3+])cc1OC ZINC000414805953 295821083 /nfs/dbraw/zinc/82/10/83/295821083.db2.gz PZXKBVKRMHGPMF-CWRNSKLLSA-N 2 0 306.450 2.742 20 0 DFADRP COc1cc(C[NH2+][C@H]2CCCC[C@H]2C[NH3+])ccc1OC(F)F ZINC000414814175 295821394 /nfs/dbraw/zinc/82/13/94/295821394.db2.gz ZBKWFCXIZVTWKV-STQMWFEESA-N 2 0 314.376 2.904 20 0 DFADRP C[C@H]([NH3+])CC[NH2+]Cc1cn(C2CCCC2)nc1-c1ccccn1 ZINC000414822602 295822235 /nfs/dbraw/zinc/82/22/35/295822235.db2.gz NEWYSZFKTJCMBE-AWEZNQCLSA-N 2 0 313.449 2.887 20 0 DFADRP COc1cc(C[NH2+]CC[C@H]2CCC[NH2+]C2)ccc1OC(F)F ZINC000414826997 295822889 /nfs/dbraw/zinc/82/28/89/295822889.db2.gz ANUZVNZFAVHXTK-GFCCVEGCSA-N 2 0 314.376 2.776 20 0 DFADRP CC[C@@H](Cc1ccc(OC)c(OC)c1)[NH2+]C[C@H]1CCC[NH2+]C1 ZINC000414837027 295824201 /nfs/dbraw/zinc/82/42/01/295824201.db2.gz VJFQMBFDMAVLAU-HOTGVXAUSA-N 2 0 306.450 2.614 20 0 DFADRP Cc1ccc(NC(=O)C[C@H](C)[NH2+]CC[C@@H]2CC[NH2+]C2)c(Cl)c1 ZINC000414842967 295825245 /nfs/dbraw/zinc/82/52/45/295825245.db2.gz ZWRMXJHIZQWLBN-KBPBESRZSA-N 2 0 323.868 2.955 20 0 DFADRP C[NH2+]C[C@H](C)C[NH2+][C@@H](C)CC(=O)Nc1ccc(C)cc1Cl ZINC000414844441 295825283 /nfs/dbraw/zinc/82/52/83/295825283.db2.gz RJDXRSUSSAOSSO-STQMWFEESA-N 2 0 311.857 2.811 20 0 DFADRP COc1cccc2c1C[C@H]([NH2+]C1CCN(c3cc[nH+]cc3)CC1)C2 ZINC000459741385 299178857 /nfs/dbraw/zinc/17/88/57/299178857.db2.gz ZWPUTUYGTASUKE-QGZVFWFLSA-N 2 0 323.440 2.816 20 0 DFADRP COc1ccc(C[C@@H](C)[NH2+]CC[C@H]2CCC[NH2+]C2)cc1OC ZINC000414850090 295825792 /nfs/dbraw/zinc/82/57/92/295825792.db2.gz YRKWTFODBIWPKW-HUUCEWRRSA-N 2 0 306.450 2.614 20 0 DFADRP Cc1nn(-c2cccc(F)c2)cc1C[NH2+]CC[C@@H]1CCC[NH2+]C1 ZINC000414848415 295825810 /nfs/dbraw/zinc/82/58/10/295825810.db2.gz WYIGSWVGQCBROT-HNNXBMFYSA-N 2 0 316.424 2.799 20 0 DFADRP Cc1cc(CN[C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)on1 ZINC000381769918 398659872 /nfs/dbraw/zinc/65/98/72/398659872.db2.gz QWGYFBLCIFVVDL-YTQUADARSA-N 2 0 311.429 2.983 20 0 DFADRP c1cnc(Oc2ccc(C[NH2+]CC[C@@H]3CCC[NH2+]C3)cc2)cn1 ZINC000414846442 295825522 /nfs/dbraw/zinc/82/55/22/295825522.db2.gz HLQFDYFHRASDJC-HNNXBMFYSA-N 2 0 312.417 2.748 20 0 DFADRP CCc1ccccc1NC(=O)C[C@H](C)[NH2+][C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000414862419 295827826 /nfs/dbraw/zinc/82/78/26/295827826.db2.gz XOUPBYYPYSWFAA-ZOBUZTSGSA-N 2 0 317.477 2.944 20 0 DFADRP C[C@@H](CC[NH3+])[NH2+]Cc1cn(-c2ccccc2)nc1C(C)(C)C ZINC000414892414 295831084 /nfs/dbraw/zinc/83/10/84/295831084.db2.gz JCSGPZDHEMSWCM-AWEZNQCLSA-N 2 0 300.450 2.997 20 0 DFADRP C[C@H](Cc1ccc(Br)c(F)c1)[NH2+]C[C@@H]1CC[NH2+]C1 ZINC000414897971 295832038 /nfs/dbraw/zinc/83/20/38/295832038.db2.gz ALIJGQPAWMBGJG-ZYHUDNBSSA-N 2 0 315.230 2.718 20 0 DFADRP CCOC(=O)[C@@H]1CC[C@H]([NH2+]CCC[N@H+](C)CC(C)C)C[C@H]1C ZINC000593647344 398664641 /nfs/dbraw/zinc/66/46/41/398664641.db2.gz XPECNBJOPFZKAI-IXDOHACOSA-N 2 0 312.498 2.922 20 0 DFADRP COc1cc(Br)ccc1C[NH2+][C@H]1CCC[C@@H]([NH3+])C1 ZINC000414908557 295833321 /nfs/dbraw/zinc/83/33/21/295833321.db2.gz BOHOCIDXJCXBAI-OLZOCXBDSA-N 2 0 313.239 2.817 20 0 DFADRP COc1ccc(OCc2nc(C[NH2+]CCCC[NH3+])cs2)cc1 ZINC000414908697 295833324 /nfs/dbraw/zinc/83/33/24/295833324.db2.gz QSIHWRARCACAED-UHFFFAOYSA-N 2 0 321.446 2.559 20 0 DFADRP CSc1cc2c(cc1C[NH2+]CC1(C)CC[NH2+]CC1)OCCO2 ZINC000414911548 295833816 /nfs/dbraw/zinc/83/38/16/295833816.db2.gz UMJRZHRZWWYSGP-UHFFFAOYSA-N 2 0 322.474 2.659 20 0 DFADRP C[C@H](Cc1ccc(Br)cc1F)[NH2+]C[C@@H]1CC[NH2+]C1 ZINC000414918401 295834795 /nfs/dbraw/zinc/83/47/95/295834795.db2.gz UDENQJNBCWEXBJ-GHMZBOCLSA-N 2 0 315.230 2.718 20 0 DFADRP [NH3+][C@@H]1CCC[C@H]([NH2+]Cc2ccccc2OCC(F)(F)F)C1 ZINC000414929802 295836378 /nfs/dbraw/zinc/83/63/78/295836378.db2.gz SCQLTHNRTUEINI-OLZOCXBDSA-N 2 0 302.340 2.987 20 0 DFADRP COc1cc(C[NH2+][C@H]2CCC[C@@H]([NH3+])C2)ccc1OC(F)F ZINC000414936245 295837454 /nfs/dbraw/zinc/83/74/54/295837454.db2.gz ZDXQGRBDNLEDND-NEPJUHHUSA-N 2 0 300.349 2.656 20 0 DFADRP C[C@@H]1C[C@H]([NH2+]Cc2ccc(OCC(F)(F)F)cc2)CC[NH2+]1 ZINC000414944050 295838589 /nfs/dbraw/zinc/83/85/89/295838589.db2.gz GFNYWKROKJIZOY-DGCLKSJQSA-N 2 0 302.340 2.858 20 0 DFADRP CC[NH+](CC)[C@@H](CNC(=O)C1CCC([NH3+])CC1)c1ccccc1 ZINC000390308251 398671172 /nfs/dbraw/zinc/67/11/72/398671172.db2.gz FJBHKAOJAINTPM-ABHNRTSZSA-N 2 0 317.477 2.703 20 0 DFADRP C[C@@H]1C[NH2+]CC[C@H]1[NH2+]Cc1cccc(OCC(F)(F)F)c1 ZINC000414957801 295840528 /nfs/dbraw/zinc/84/05/28/295840528.db2.gz OSXXZALRCWTJKJ-BXUZGUMPSA-N 2 0 302.340 2.715 20 0 DFADRP Fc1cccc(F)c1-c1n[nH]cc1C[NH2+]CCC[C@@H]1CCC[NH2+]1 ZINC000414961621 295841108 /nfs/dbraw/zinc/84/11/08/295841108.db2.gz BINMQZBGIGOVQZ-CYBMUJFWSA-N 2 0 320.387 2.977 20 0 DFADRP Cc1cc(C[NH2+][C@H]2CC[NH2+]C[C@@H]2C)sc1Br ZINC000414953815 295840387 /nfs/dbraw/zinc/84/03/87/295840387.db2.gz KDRHQTWTMIEIEK-ONGXEEELSA-N 2 0 303.269 2.907 20 0 DFADRP COCC1(C[NH2+][C@@H](C)CCc2ccc(F)cc2)CC[NH2+]CC1 ZINC000414967007 295842090 /nfs/dbraw/zinc/84/20/90/295842090.db2.gz CMTKPTNZUHVVTI-HNNXBMFYSA-N 2 0 308.441 2.753 20 0 DFADRP C[C@@H]1C[NH2+]CC[C@@H]1[NH2+]Cc1c[nH]nc1-c1cccc(Cl)c1 ZINC000414963643 295841644 /nfs/dbraw/zinc/84/16/44/295841644.db2.gz UJSZVIJGPUMDHM-ABAIWWIYSA-N 2 0 304.825 2.818 20 0 DFADRP COCC1(C[NH2+]Cc2c(F)cc(C)cc2Cl)CC[NH2+]CC1 ZINC000414966456 295842279 /nfs/dbraw/zinc/84/22/79/295842279.db2.gz CAYFVDXNSGNSMO-UHFFFAOYSA-N 2 0 314.832 2.893 20 0 DFADRP COCC1(C[NH2+]CCc2ccc(C(C)C)cc2)CC[NH2+]CC1 ZINC000414981913 295843811 /nfs/dbraw/zinc/84/38/11/295843811.db2.gz XSZNPNMAMOZBIM-UHFFFAOYSA-N 2 0 304.478 2.958 20 0 DFADRP CCn1nc(C[NH2+]CC[C@H]2CCC[N@H+](C)C2)c2ccccc21 ZINC000459778592 299189436 /nfs/dbraw/zinc/18/94/36/299189436.db2.gz LCPPRESZSKZVEW-OAHLLOKOSA-N 2 0 300.450 2.878 20 0 DFADRP CC(C)[N@H+](C)CC1CC[NH+]([C@H](C)C(=O)N2CCC(C)CC2)CC1 ZINC000590787121 398675465 /nfs/dbraw/zinc/67/54/65/398675465.db2.gz XJDZVMFPNFXWKY-QGZVFWFLSA-N 2 0 323.525 2.686 20 0 DFADRP COc1cc2c(c(C[NH2+]CCC[C@@H]3CCC[NH2+]3)c1)O[C@H](C)C2 ZINC000414976363 295843501 /nfs/dbraw/zinc/84/35/01/295843501.db2.gz PRCYMJQPRUOOTJ-CZUORRHYSA-N 2 0 304.434 2.640 20 0 DFADRP Cc1ccccc1NC(=O)CC[N@@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000072637732 191207994 /nfs/dbraw/zinc/20/79/94/191207994.db2.gz QBEZKSQWUZZIGE-MRXNPFEDSA-N 2 0 303.450 2.597 20 0 DFADRP Cc1ccccc1NC(=O)CC[NH+]1CCC(CC[NH+](C)C)CC1 ZINC000072665531 191212218 /nfs/dbraw/zinc/21/22/18/191212218.db2.gz RPSFVPNPWZVMOI-UHFFFAOYSA-N 2 0 317.477 2.987 20 0 DFADRP CCc1noc(C2CCC([NH2+]C[C@@H]3CCC[C@H]([NH3+])C3)CC2)n1 ZINC000415001269 295845976 /nfs/dbraw/zinc/84/59/76/295845976.db2.gz KTSXMTZCLBGWSK-JLVJUDLZSA-N 2 0 306.454 2.765 20 0 DFADRP Fc1ccc([C@@H]2CC[NH2+]C[C@@H]2C[NH2+]CC[C@H]2CCOC2)cc1 ZINC000415001742 295846176 /nfs/dbraw/zinc/84/61/76/295846176.db2.gz LJLVSFMDPKDKEU-ZVZYQTTQSA-N 2 0 306.425 2.535 20 0 DFADRP CC[N@H+](C)C[C@H]1CC[NH+](CCC(=O)Nc2ccccc2C)C1 ZINC000072858034 191238785 /nfs/dbraw/zinc/23/87/85/191238785.db2.gz MOYXVDGQXGVJKH-MRXNPFEDSA-N 2 0 303.450 2.597 20 0 DFADRP C[C@H](CC(=O)Nc1ccc(F)cc1)[NH2+]C[C@@H]1CCC[C@H]([NH3+])C1 ZINC000415013966 295847313 /nfs/dbraw/zinc/84/73/13/295847313.db2.gz ZBNMIDSERUEZBO-NFAWXSAZSA-N 2 0 307.413 2.650 20 0 DFADRP C[N@@H+]1CCC[C@@H](CC[NH2+]Cc2cncc(Br)c2)C1 ZINC000459785735 299192560 /nfs/dbraw/zinc/19/25/60/299192560.db2.gz PCSACMLIODTIRS-LBPRGKRZSA-N 2 0 312.255 2.666 20 0 DFADRP [NH3+]C[C@@H]1CC[C@H]([NH2+]Cc2cc(Br)ccc2F)C1 ZINC000415029139 295848527 /nfs/dbraw/zinc/84/85/27/295848527.db2.gz DIPFABGEGAUDMH-SKDRFNHKSA-N 2 0 301.203 2.805 20 0 DFADRP [NH3+]C[C@@H]1CC[C@@H]([NH2+]Cc2ccc(F)c(Br)c2)C1 ZINC000415028077 295848618 /nfs/dbraw/zinc/84/86/18/295848618.db2.gz CDSWMUSUTOVECT-MWLCHTKSSA-N 2 0 301.203 2.805 20 0 DFADRP c1ccc(CC[C@@H]2CCC[C@H]2[NH2+]C[C@@H]2C[NH2+]CCCO2)cc1 ZINC000415030445 295848770 /nfs/dbraw/zinc/84/87/70/295848770.db2.gz CKRCIVDUSSMTOX-GBESFXJTSA-N 2 0 302.462 2.756 20 0 DFADRP COc1ccc(C[NH2+][C@@H]2CC[C@H](C[NH3+])C2)cc1OCC(C)C ZINC000415031512 295849174 /nfs/dbraw/zinc/84/91/74/295849174.db2.gz GXYCXTFQFHIGGD-GOEBONIOSA-N 2 0 306.450 2.947 20 0 DFADRP Cn1cc(C[NH2+][C@H]2CC[C@H](C[NH3+])C2)c(-c2ccccc2Cl)n1 ZINC000415035555 295849380 /nfs/dbraw/zinc/84/93/80/295849380.db2.gz KUIBYOHEHKPJTH-JSGCOSHPSA-N 2 0 318.852 2.958 20 0 DFADRP COc1ccc(C[NH2+][C@@H]2CC[C@@H](C[NH3+])C2)cc1Br ZINC000415043412 295850586 /nfs/dbraw/zinc/85/05/86/295850586.db2.gz RWEVLOYEOAVEEK-ZYHUDNBSSA-N 2 0 313.239 2.675 20 0 DFADRP COc1ccc(C[NH2+][C@@H]2CC[C@@H](C[NH3+])C2)c(OC(F)F)c1 ZINC000415045804 295850787 /nfs/dbraw/zinc/85/07/87/295850787.db2.gz UJFYKFFRVOZENM-ZYHUDNBSSA-N 2 0 300.349 2.514 20 0 DFADRP [NH3+]CCCC[NH2+][C@H]1CCCOc2cc(Br)ccc21 ZINC000037715537 303375722 /nfs/dbraw/zinc/37/57/22/303375722.db2.gz ICTKADGBLLJYJY-ZDUSSCGKSA-N 2 0 313.239 2.991 20 0 DFADRP Cc1cccc(NC(=O)C[C@H](C)[NH2+][C@@H]2CC[C@H](C[NH3+])C2)c1C ZINC000415050804 295851492 /nfs/dbraw/zinc/85/14/92/295851492.db2.gz YUWIVFVCUTTYKI-CWRNSKLLSA-N 2 0 303.450 2.738 20 0 DFADRP CO[C@H]1C[C@@H]([NH2+]C2CCN(c3cc[nH+]cc3)CC2)C12CCC2 ZINC000459794942 299195098 /nfs/dbraw/zinc/19/50/98/299195098.db2.gz VBTOSAVNYWQTJG-SJORKVTESA-N 2 0 301.434 2.598 20 0 DFADRP CSc1ccc([C@@H](C)[NH2+]C[C@@H](C)CN2CC[NH+](C)CC2)cc1 ZINC000173384573 198208848 /nfs/dbraw/zinc/20/88/48/198208848.db2.gz FFNJUKISRSUWQV-HZPDHXFCSA-N 2 0 321.534 2.943 20 0 DFADRP CSc1ccc([C@H](C)[NH2+]C[C@@H](C)CN2CC[NH+](C)CC2)cc1 ZINC000173384544 198209099 /nfs/dbraw/zinc/20/90/99/198209099.db2.gz FFNJUKISRSUWQV-CVEARBPZSA-N 2 0 321.534 2.943 20 0 DFADRP CSc1ccc([C@@H](C)[NH2+]C[C@@H](C)N2CC[NH+](C)CC2)cc1 ZINC000173390451 198209416 /nfs/dbraw/zinc/20/94/16/198209416.db2.gz AKOSTTWEAIIEND-HUUCEWRRSA-N 2 0 307.507 2.695 20 0 DFADRP CC(C)[C@H]([NH2+][C@@H]1CCC[NH2+]CC1)c1ccc2c(c1)OCCO2 ZINC000415079424 295855309 /nfs/dbraw/zinc/85/53/09/295855309.db2.gz KCOZCWLHVDJNMQ-QAPCUYQASA-N 2 0 304.434 2.887 20 0 DFADRP Brc1cccc(OCC[NH2+][C@@H]2CCC[NH2+]CC2)c1 ZINC000415085483 295856217 /nfs/dbraw/zinc/85/62/17/295856217.db2.gz SNGQPYKRTRGXDK-CYBMUJFWSA-N 2 0 313.239 2.560 20 0 DFADRP CC[N@H+](C)C[C@@H]1CC[NH+](CCC(=O)Nc2cccc(Cl)c2)C1 ZINC000173911295 198266898 /nfs/dbraw/zinc/26/68/98/198266898.db2.gz PMWYRFBNUTXHGW-AWEZNQCLSA-N 2 0 323.868 2.942 20 0 DFADRP COc1ccccc1N1CCC([NH2+]C2CCC([NH3+])CC2)CC1 ZINC000415090588 295856718 /nfs/dbraw/zinc/85/67/18/295856718.db2.gz YCIBDYDCSKTFBG-UHFFFAOYSA-N 2 0 303.450 2.524 20 0 DFADRP [NH3+]CC1CCC([NH2+]Cc2ccc(-n3ccnc3)c(F)c2)CC1 ZINC000415084778 295856101 /nfs/dbraw/zinc/85/61/01/295856101.db2.gz PTCJYOQUCFEUGJ-UHFFFAOYSA-N 2 0 302.397 2.619 20 0 DFADRP COc1cc(F)c([C@H](C)[NH2+]C[C@@H]2CC[NH2+][C@H](C)C2)cc1OC ZINC000415093268 295857015 /nfs/dbraw/zinc/85/70/15/295857015.db2.gz UYZCGKCRIVATJZ-FRRDWIJNSA-N 2 0 310.413 2.882 20 0 DFADRP C[C@H](CC[NH+](C)C)NC(=O)c1oc2ccccc2c1C[NH+](C)C ZINC000073643756 398692606 /nfs/dbraw/zinc/69/26/06/398692606.db2.gz YAAYBRJDONJGTP-CYBMUJFWSA-N 2 0 317.433 2.564 20 0 DFADRP OCC1([C@H]([NH2+]C[C@H]2CCC[NH2+]C2)c2ccccc2)CCCC1 ZINC000415093067 295857165 /nfs/dbraw/zinc/85/71/65/295857165.db2.gz BORKOEQJCFFVSO-FUHWJXTLSA-N 2 0 302.462 2.870 20 0 DFADRP COc1ccc(OCC[NH2+][C@@H](C)C[C@@H]2CCCCC[NH2+]2)cc1 ZINC000415090518 295856849 /nfs/dbraw/zinc/85/68/49/295856849.db2.gz PCPWUCKSJMCKSJ-HOTGVXAUSA-N 2 0 306.450 2.974 20 0 DFADRP [NH3+]C1CCC([NH2+]C[C@@H]2C[C@H](F)CN2Cc2cccs2)CC1 ZINC000415100017 295857820 /nfs/dbraw/zinc/85/78/20/295857820.db2.gz GHLGJXBIMNANHE-PPWQZUPISA-N 2 0 311.470 2.520 20 0 DFADRP C[C@@H](C[C@H]1CCC[NH2+]1)[NH2+]CCc1nc(-c2ccccn2)cs1 ZINC000415109500 295859201 /nfs/dbraw/zinc/85/92/01/295859201.db2.gz PPSCDWLJSHUWLX-UONOGXRCSA-N 2 0 316.474 2.868 20 0 DFADRP c1ccc(CC[NH+]2CCC(OCC[NH+]3CCCC3)CC2)cc1 ZINC000174241906 198309943 /nfs/dbraw/zinc/30/99/43/198309943.db2.gz NSFFDQOBRAGGBN-UHFFFAOYSA-N 2 0 302.462 2.806 20 0 DFADRP CC[NH+]1CCN(c2ccc(NC[C@H]3CCC[NH2+]C3)c(C)c2)CC1 ZINC000415118839 295860570 /nfs/dbraw/zinc/86/05/70/295860570.db2.gz JZTLHHMASQHTEN-KRWDZBQOSA-N 2 0 316.493 2.548 20 0 DFADRP [NH3+][C@@H]1CCCO[C@H]1C1CC[NH+](Cc2cc(F)ccc2F)CC1 ZINC000415121430 295860821 /nfs/dbraw/zinc/86/08/21/295860821.db2.gz HGZNIAGXUMAVHK-SJORKVTESA-N 2 0 310.388 2.683 20 0 DFADRP CCOc1ccc(C[NH+]2CCC([C@H]3C[C@H]([NH3+])CCO3)CC2)cc1 ZINC000415121253 295860973 /nfs/dbraw/zinc/86/09/73/295860973.db2.gz HWDZWBSNPBZWLL-IEBWSBKVSA-N 2 0 318.461 2.804 20 0 DFADRP CC[NH+]1CCN(c2ccc(NC[C@]3(C)CC[NH2+]C3)c(C)c2)CC1 ZINC000415124840 295861517 /nfs/dbraw/zinc/86/15/17/295861517.db2.gz RRCPJCAZCMDDAJ-LJQANCHMSA-N 2 0 316.493 2.548 20 0 DFADRP CC[N@@H+]1CC[C@H](N(C)Cc2cccc3c2OCCO3)[C@H](C)C1 ZINC000174774972 198383267 /nfs/dbraw/zinc/38/32/67/198383267.db2.gz OIJRXPIGKVQXEN-ZBFHGGJFSA-N 2 0 304.434 2.620 20 0 DFADRP C[C@H](CCNC(=O)c1ccc(C[NH+](C)C)cc1)[NH+]1CCCCC1 ZINC000182249046 199410563 /nfs/dbraw/zinc/41/05/63/199410563.db2.gz GSWLFBSMEUGYCU-MRXNPFEDSA-N 2 0 317.477 2.743 20 0 DFADRP C[C@H]([NH3+])[C@H](C)C(=O)NCc1ccc(C[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000277063000 213269640 /nfs/dbraw/zinc/26/96/40/213269640.db2.gz NNCQHWGDLKABTA-JYJNAYRXSA-N 2 0 317.477 2.661 20 0 DFADRP CCC[NH+]1CCC(CNC(=O)[C@H](C)[C@@H]([NH3+])c2ccccc2)CC1 ZINC000236771126 202001923 /nfs/dbraw/zinc/00/19/23/202001923.db2.gz RELXAYCVJYRICI-CRAIPNDOSA-N 2 0 317.477 2.561 20 0 DFADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]CCCN(C)c1ccccc1F ZINC000129099712 283002012 /nfs/dbraw/zinc/00/20/12/283002012.db2.gz FWQSPXCJQLFGCE-INMHGKMJSA-N 2 0 307.457 2.970 20 0 DFADRP CC[N@@H+]1CC[C@@H]([NH2+]CCCN(C)c2ccccc2F)[C@H](C)C1 ZINC000129093784 283002167 /nfs/dbraw/zinc/00/21/67/283002167.db2.gz RDRDMIHIZAHOAB-NVXWUHKLSA-N 2 0 307.457 2.972 20 0 DFADRP C[N@@H+]1CC[C@@H](C(=O)Nc2cccc(C[NH+]3CCCCC3)c2)C1 ZINC000591097635 398726804 /nfs/dbraw/zinc/72/68/04/398726804.db2.gz YATGEZUTOAXELL-MRXNPFEDSA-N 2 0 301.434 2.563 20 0 DFADRP CC[C@@H]1CCCCN1C(=O)[C@@H](C)[N@H+](C)CCCn1ccnc1C ZINC000130742435 283059293 /nfs/dbraw/zinc/05/92/93/283059293.db2.gz XIQQLRSCOXTOTP-NVXWUHKLSA-N 2 0 320.481 2.693 20 0 DFADRP CC[N@H+](Cc1ccc(C(=O)NC2CCC([NH3+])CC2)cc1)C1CC1 ZINC000131876420 283102512 /nfs/dbraw/zinc/10/25/12/283102512.db2.gz VETLTCDUJRGVBQ-UHFFFAOYSA-N 2 0 315.461 2.671 20 0 DFADRP CC(C)[NH+](CCCNC(=O)Nc1ccc(C[NH3+])cc1)C(C)C ZINC000415973681 295907610 /nfs/dbraw/zinc/90/76/10/295907610.db2.gz JVMHBYIKTIVZPW-UHFFFAOYSA-N 2 0 306.454 2.776 20 0 DFADRP Cc1ccc2c(c1)[C@@H]([NH2+]C[C@@H](C(C)C)N1CC[NH+](C)CC1)CC2 ZINC000132518214 283121730 /nfs/dbraw/zinc/12/17/30/283121730.db2.gz XOZLATMZEATSAX-PMACEKPBSA-N 2 0 315.505 2.844 20 0 DFADRP C[NH+](C)CCN(C(=O)Nc1ccc2c(c1)C[NH2+]C2)C1CCCC1 ZINC000416000329 295910593 /nfs/dbraw/zinc/91/05/93/295910593.db2.gz XCDWJNSWPFYZMS-UHFFFAOYSA-N 2 0 316.449 2.628 20 0 DFADRP CCCN(CCC[NH+](C)C)C(=O)Nc1ccc(C[NH2+]C)cc1 ZINC000416011627 295911593 /nfs/dbraw/zinc/91/15/93/295911593.db2.gz PTYSLZSKWGXUDM-UHFFFAOYSA-N 2 0 306.454 2.602 20 0 DFADRP [NH3+]CC1(CC(=O)N2CC[C@H](C[NH+]3CCCCC3)C2)CCCCC1 ZINC000184241524 199692226 /nfs/dbraw/zinc/69/22/26/199692226.db2.gz NKUXIRGRRDQJRI-QGZVFWFLSA-N 2 0 321.509 2.620 20 0 DFADRP Cc1ccc(C[NH+]2CCC(C[NH+]3CCOCC3)CC2)cc1C ZINC000134115392 283173562 /nfs/dbraw/zinc/17/35/62/283173562.db2.gz IOGWKTWQZYHZMS-UHFFFAOYSA-N 2 0 302.462 2.848 20 0 DFADRP CCCC[C@@H](C[NH3+])NC(=O)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000236843303 202033727 /nfs/dbraw/zinc/03/37/27/202033727.db2.gz TYJYYWUXKPIYHU-MSOLQXFVSA-N 2 0 317.477 2.532 20 0 DFADRP CC[NH+](CC)CCCCNC(=O)[C@@H](C)[C@@H]([NH3+])c1ccccc1 ZINC000236844436 202035400 /nfs/dbraw/zinc/03/54/00/202035400.db2.gz HRFXJQUKZVFOQJ-DOTOQJQBSA-N 2 0 305.466 2.561 20 0 DFADRP CC[NH+](CC)CCCCNC(=O)[C@@H](C)[C@H]([NH3+])c1ccccc1 ZINC000236844459 202035641 /nfs/dbraw/zinc/03/56/41/202035641.db2.gz HRFXJQUKZVFOQJ-RDJZCZTQSA-N 2 0 305.466 2.561 20 0 DFADRP C[C@H](NC(=O)C[C@@H](c1ccccc1)[NH+](C)C)C(C)(C)C[NH+](C)C ZINC000416155759 295925292 /nfs/dbraw/zinc/92/52/92/295925292.db2.gz NEQDETWHYCWCMW-RDJZCZTQSA-N 2 0 319.493 2.772 20 0 DFADRP CC[NH+](CC)[C@H](CNC(=O)C(CC)(CC)C[NH3+])c1ccccc1 ZINC000236873260 202045669 /nfs/dbraw/zinc/04/56/69/202045669.db2.gz KNZUQRVSLBRJOO-QGZVFWFLSA-N 2 0 319.493 2.951 20 0 DFADRP CC[N@H+](C)[C@H](C(=O)N[C@@H](C[NH3+])C1CCCCC1)c1ccccc1 ZINC000236888232 202054595 /nfs/dbraw/zinc/05/45/95/202054595.db2.gz XTOFWKCEMZTOOX-ROUUACIJSA-N 2 0 317.477 2.703 20 0 DFADRP CC[NH+]1CCN(CCC[NH2+]Cc2ccc([C@@H]3C[C@H]3C)o2)CC1 ZINC000236944514 202085372 /nfs/dbraw/zinc/08/53/72/202085372.db2.gz JPJASPTVQGNLQN-NVXWUHKLSA-N 2 0 305.466 2.520 20 0 DFADRP CC[NH+](CC)Cc1ccc(CNC(=O)[C@H]2CCC[C@@H]([NH3+])C2)cc1 ZINC000236918709 202070637 /nfs/dbraw/zinc/07/06/37/202070637.db2.gz ZWFQTGHFFAZJOY-ZWKOTPCHSA-N 2 0 317.477 2.662 20 0 DFADRP C[NH+](C)CC[C@@H](NC(=O)C[C@@H]([NH3+])c1ccccc1)C(C)(C)C ZINC000236982750 202106699 /nfs/dbraw/zinc/10/66/99/202106699.db2.gz JHJBNPPVROCHHF-HZPDHXFCSA-N 2 0 305.466 2.559 20 0 DFADRP CC[C@@H](C)[C@H]([NH3+])C(=O)Nc1cccc(C[NH+]2CCCCC2)c1 ZINC000236988089 202110188 /nfs/dbraw/zinc/11/01/88/202110188.db2.gz XURGSELJDOVYJV-PBHICJAKSA-N 2 0 303.450 2.984 20 0 DFADRP CC[NH2+]Cc1ccccc1NC(=O)C[C@@H](C)C1CC[NH2+]CC1 ZINC000237052724 202136376 /nfs/dbraw/zinc/13/63/76/202136376.db2.gz RHYRERONHPVCSU-CQSZACIVSA-N 2 0 303.450 2.760 20 0 DFADRP C[NH+](C)[C@@H](CNC(=O)CC1C[C@H]2CC[C@@H](C1)[NH2+]2)C1CCCCC1 ZINC000237134564 202162059 /nfs/dbraw/zinc/16/20/59/202162059.db2.gz LXUNHYYQGUIGQH-ONQFOCNCSA-N 2 0 321.509 2.534 20 0 DFADRP CCC[C@H](C(=O)NCCCC[N@H+]1C[C@H](C)C[C@H](C)C1)[NH+](C)C ZINC000136206418 283237156 /nfs/dbraw/zinc/23/71/56/283237156.db2.gz RVPPUXIXCQCLBP-IXDOHACOSA-N 2 0 311.514 2.591 20 0 DFADRP C[C@H]([NH2+]CC1CCOCC1)c1ccc(OCC[NH+](C)C)cc1 ZINC000178278427 198841401 /nfs/dbraw/zinc/84/14/01/198841401.db2.gz MCLVSGDYDROFAI-HNNXBMFYSA-N 2 0 306.450 2.704 20 0 DFADRP CC(C)c1ccc(CC[NH2+]C2CCN(CC[NH+](C)C)CC2)cc1 ZINC000138048449 283255582 /nfs/dbraw/zinc/25/55/82/283255582.db2.gz LQXYYMUPNUDZBH-UHFFFAOYSA-N 2 0 317.521 2.968 20 0 DFADRP COC(=O)c1cc(C[NH+]2CCC(C[NH+]3CCCC3)CC2)c(C)o1 ZINC000050031172 398803389 /nfs/dbraw/zinc/80/33/89/398803389.db2.gz OIGLKAVVFGXNFS-UHFFFAOYSA-N 2 0 320.433 2.682 20 0 DFADRP C[C@H]1C[C@@H]([NH3+])CC[N@@H+]1CCOc1ccc(Br)cc1 ZINC000124531498 398803796 /nfs/dbraw/zinc/80/37/96/398803796.db2.gz URRMDVRGWFCZEP-AAEUAGOBSA-N 2 0 313.239 2.640 20 0 DFADRP CCCC[C@H](C(=O)OC)[N@@H+]1CC[C@H](CNc2cccc(C)[nH+]2)C1 ZINC000151111059 283276348 /nfs/dbraw/zinc/27/63/48/283276348.db2.gz VYIXLFCFBHWIPW-HZPDHXFCSA-N 2 0 319.449 2.856 20 0 DFADRP CCC[C@@H](C(=O)OCC)[N@@H+]1CC[C@H](CNc2cccc(C)[nH+]2)C1 ZINC000151115326 283276682 /nfs/dbraw/zinc/27/66/82/283276682.db2.gz REIONPZZMFZYTG-CVEARBPZSA-N 2 0 319.449 2.856 20 0 DFADRP CC[N@@H+]1CC[C@H](C[NH2+][C@@H]2CCCc3ccc(C(=O)OC)cc32)C1 ZINC000594493390 398808722 /nfs/dbraw/zinc/80/87/22/398808722.db2.gz HLUNJUORJDLXLX-RDTXWAMCSA-N 2 0 316.445 2.782 20 0 DFADRP COC(=O)CCC[C@H]1CCC[C@H]([NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)C1 ZINC000594512972 398813373 /nfs/dbraw/zinc/81/33/73/398813373.db2.gz ZCNVGUCKOREKHF-NCOADZHNSA-N 2 0 310.482 2.818 20 0 DFADRP Cc1nn(C)cc1[C@@H](C)[NH2+]CC1CCN(c2cc[nH+]cc2)CC1 ZINC000179470280 199041763 /nfs/dbraw/zinc/04/17/63/199041763.db2.gz FTSMNJGHGZOZMM-CQSZACIVSA-N 2 0 313.449 2.691 20 0 DFADRP CC(C)[N@H+](C)CC(=O)N[C@H](C[NH+]1CCCCC1)c1ccccc1 ZINC000075630623 398814237 /nfs/dbraw/zinc/81/42/37/398814237.db2.gz JRMBNVXNYLPCJA-GOSISDBHSA-N 2 0 317.477 2.670 20 0 DFADRP COC(=O)c1ccc(Cl)c(C[NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)c1 ZINC000594615134 398833820 /nfs/dbraw/zinc/83/38/20/398833820.db2.gz PLFFYPPQLKGSPX-VDISTLRHSA-N 2 0 310.825 2.556 20 0 DFADRP C[NH+](C)CCCNC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000180104439 199117174 /nfs/dbraw/zinc/11/71/74/199117174.db2.gz SESOHOMVQCOFPK-YQQQUEKLSA-N 3 0 301.478 2.723 20 0 DFADRP Cn1nccc1CNC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000180107266 199117517 /nfs/dbraw/zinc/11/75/17/199117517.db2.gz KGUDZLKTFDTSHE-AYHJJNSGSA-N 2 0 310.445 2.705 20 0 DFADRP CC[NH+]1CCN(CCC[NH2+][C@H]2c3cc(C)ccc3C[C@@H]2C)CC1 ZINC000180109522 199118747 /nfs/dbraw/zinc/11/87/47/199118747.db2.gz NVWVXTZITRVWEF-FXAWDEMLSA-N 2 0 315.505 2.846 20 0 DFADRP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1ccc([S@](C)=O)cc1 ZINC000278797412 299273251 /nfs/dbraw/zinc/27/32/51/299273251.db2.gz QWCGQDYKNCMQRG-YGQVMDMGSA-N 2 0 306.475 2.700 20 0 DFADRP C[C@H]1C[C@@H]([NH2+]CCCOCCOCc2ccccc2)CC[N@@H+]1C ZINC000180231710 199133889 /nfs/dbraw/zinc/13/38/89/199133889.db2.gz DKPMOLWIJGSOEV-HKUYNNGSSA-N 2 0 320.477 2.682 20 0 DFADRP c1c(C[NH2+]CC2CCN(c3cc[nH+]cc3)CC2)nc2ccccn12 ZINC000180276278 199140725 /nfs/dbraw/zinc/14/07/25/199140725.db2.gz ARJZWBFUWSPWLX-UHFFFAOYSA-N 2 0 321.428 2.736 20 0 DFADRP COC(=O)[C@@H]1C[C@@H]1[C@H](C)[NH2+]Cc1cccc(C[N@H+](C)C(C)C)c1 ZINC000594917024 398870373 /nfs/dbraw/zinc/87/03/73/398870373.db2.gz FXVOWDWNZDFFLR-BMGDILEWSA-N 2 0 318.461 2.814 20 0 DFADRP COC(=O)[C@@H]1C[C@@H]1[C@H](C)[NH2+]Cc1ccccc1C[N@H+](C)C(C)C ZINC000594920936 398871851 /nfs/dbraw/zinc/87/18/51/398871851.db2.gz CGXSKFLZRGFMFF-BMGDILEWSA-N 2 0 318.461 2.814 20 0 DFADRP COC(=O)[C@@H]1C[C@@H]1[C@@H](C)[NH2+]Cc1ccccc1C[N@H+](C)C(C)C ZINC000594922917 398872192 /nfs/dbraw/zinc/87/21/92/398872192.db2.gz CGXSKFLZRGFMFF-ZTFGCOKTSA-N 2 0 318.461 2.814 20 0 DFADRP COC(=O)[C@@H]1C[C@@H]1[C@H](C)[NH2+]CC[C@H](C)[N@H+](C)Cc1ccccc1 ZINC000594941769 398877421 /nfs/dbraw/zinc/87/74/21/398877421.db2.gz UQRIEILHUQOBDJ-CWLKWCNXSA-N 2 0 318.461 2.684 20 0 DFADRP COC(=O)[C@@H]1C[C@@H]1[C@@H](C)[NH2+]CC[C@@H](C)[N@H+](C)Cc1ccccc1 ZINC000594941773 398877635 /nfs/dbraw/zinc/87/76/35/398877635.db2.gz UQRIEILHUQOBDJ-JOCBIADPSA-N 2 0 318.461 2.684 20 0 DFADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@@H](c2ccccc2OC)N(C)C)[C@H](C)C1 ZINC000153290735 283361332 /nfs/dbraw/zinc/36/13/32/283361332.db2.gz KDYHZYBPYHDWBQ-NJAFHUGGSA-N 2 0 319.493 2.618 20 0 DFADRP c1ccc(C([NH2+]CCCN2CC[NH2+]CC2)c2ccccc2)cc1 ZINC000137654151 398876246 /nfs/dbraw/zinc/87/62/46/398876246.db2.gz LDYMBKBOFHPDEG-UHFFFAOYSA-N 2 0 309.457 2.661 20 0 DFADRP O[C@H]1CC[N@H+](Cc2ccccc2C[NH2+]C[C@@H]2C[C@@H]3C=C[C@H]2C3)C1 ZINC000180998707 199238612 /nfs/dbraw/zinc/23/86/12/199238612.db2.gz UIIBQTIFNBAXCB-LPWQTFTOSA-N 2 0 312.457 2.555 20 0 DFADRP CC(C)[N@H+](C)CCNC(=O)c1oc2ccccc2c1C[NH+](C)C ZINC000172810675 283386280 /nfs/dbraw/zinc/38/62/80/283386280.db2.gz VHWGHLSAGHTAQZ-UHFFFAOYSA-N 2 0 317.433 2.564 20 0 DFADRP CCO[C@H](CC[NH+](C)C)C[NH2+]CCSCc1ccccc1 ZINC000280744299 215836589 /nfs/dbraw/zinc/83/65/89/215836589.db2.gz BAMLCGZPSKTOTG-QGZVFWFLSA-N 2 0 310.507 2.866 20 0 DFADRP C[C@H]1C[NH+](CCCC[NH2+]Cc2cc(O)cc(F)c2)C[C@H](C)O1 ZINC000185496323 199859929 /nfs/dbraw/zinc/85/99/29/199859929.db2.gz HJHGTCNQWJZSBB-KBPBESRZSA-N 2 0 310.413 2.510 20 0 DFADRP C(C[NH+]1CCCO[C@H]2CCC[C@@H]21)C[N@@H+]1CCCO[C@@H]2CCC[C@@H]21 ZINC000077316980 398897673 /nfs/dbraw/zinc/89/76/73/398897673.db2.gz ROQKJHVQXMACGJ-CADBVGFASA-N 2 0 322.493 2.663 20 0 DFADRP CC(C)[C@H](C[NH2+][C@@H](C)Cc1ccccc1F)N1CC[NH+](C)CC1 ZINC000186740323 200001655 /nfs/dbraw/zinc/00/16/55/200001655.db2.gz YEDCPUILDPCOTK-LPHOPBHVSA-N 2 0 321.484 2.618 20 0 DFADRP O[C@@H]1CCCC[C@H]1[NH2+][C@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000186789292 200011320 /nfs/dbraw/zinc/01/13/20/200011320.db2.gz WOBKMHWOVIVDIS-PXTPFGJHSA-N 2 0 314.473 2.790 20 0 DFADRP CCOC(=O)c1[nH]c(C)c(C[NH2+]C[C@H]2CCCC[N@H+](C)C2)c1C ZINC000598995207 398905109 /nfs/dbraw/zinc/90/51/09/398905109.db2.gz VXVKLHYBMNATRL-OAHLLOKOSA-N 2 0 321.465 2.630 20 0 DFADRP CC[NH+]1CCN(CCC[NH2+][C@@H](Cc2ccccc2)C(C)C)CC1 ZINC000186999224 200044911 /nfs/dbraw/zinc/04/49/11/200044911.db2.gz QLXRHIVJJWOCDP-FQEVSTJZSA-N 2 0 317.521 2.871 20 0 DFADRP CC(C)[C@H](Cc1ccccc1)[NH2+]C[C@@H](C)CN1CC[NH+](C)CC1 ZINC000187159174 200069796 /nfs/dbraw/zinc/06/97/96/200069796.db2.gz KPGFFOIZRFGZOD-QUCCMNQESA-N 2 0 317.521 2.727 20 0 DFADRP CCCc1cccc(C[NH2+]C[C@@H](C)CN2CC[NH+](C)CC2)c1 ZINC000187204335 200076999 /nfs/dbraw/zinc/07/69/99/200076999.db2.gz KFAYPVHSVAIDBQ-QGZVFWFLSA-N 2 0 303.494 2.612 20 0 DFADRP CCC[C@@H](C(=O)N1CCC[C@@H]([NH+]2CCCCCC2)C1)[NH+](C)C ZINC000153691459 283465390 /nfs/dbraw/zinc/46/53/90/283465390.db2.gz MTSPQRJRUJTNJC-SJORKVTESA-N 2 0 309.498 2.584 20 0 DFADRP COC(=O)CC1CCC([NH2+]CC(C)(C)C[NH+]2CCCC2)CC1 ZINC000599044236 398912315 /nfs/dbraw/zinc/91/23/15/398912315.db2.gz NPQVMEMATYFFLO-UHFFFAOYSA-N 2 0 310.482 2.820 20 0 DFADRP C[C@H](C[NH2+][C@@H]1CC[C@@](C)(c2ccccc2)C1)N1CC[NH+](C)CC1 ZINC000187966953 200183605 /nfs/dbraw/zinc/18/36/05/200183605.db2.gz OFOSMDITRBSNIR-MISYRCLQSA-N 2 0 315.505 2.722 20 0 DFADRP C[C@H](CC(=O)N1CC[NH+](CCC(C)(C)C)CC1)C1CC[NH2+]CC1 ZINC000237536586 202274275 /nfs/dbraw/zinc/27/42/75/202274275.db2.gz PGJAFFGNVNBLFF-MRXNPFEDSA-N 2 0 323.525 2.593 20 0 DFADRP C[C@H]1C[C@H](C)C[NH+](C(C)(C)CNC(=O)CCC2CC[NH2+]CC2)C1 ZINC000237548326 202278711 /nfs/dbraw/zinc/27/87/11/202278711.db2.gz OWPLOWZTAXZHRM-HOTGVXAUSA-N 2 0 323.525 2.639 20 0 DFADRP C[C@H]1C[C@H](C)C[NH+](C(C)(C)CNC(=O)CCCCCC[NH3+])C1 ZINC000237581519 202292262 /nfs/dbraw/zinc/29/22/62/202292262.db2.gz WGHIVEQYODSPRW-HOTGVXAUSA-N 2 0 311.514 2.768 20 0 DFADRP C[C@@]1(C(=O)Nc2cccc(C[NH+]3CCCCC3)c2)CC[NH2+]C1 ZINC000237631349 202311311 /nfs/dbraw/zinc/31/13/11/202311311.db2.gz OKGPZHNKIVVKQW-GOSISDBHSA-N 2 0 301.434 2.611 20 0 DFADRP CC[C@@H](CC(F)F)C[N@@H+]1CC[C@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000595337061 398924175 /nfs/dbraw/zinc/92/41/75/398924175.db2.gz JJPBNPJXCHQADX-HOTGVXAUSA-N 2 0 317.468 2.768 20 0 DFADRP O=C(CC1C[C@H]2CC[C@@H](C1)[NH2+]2)NCCCCC[NH+]1CCCCC1 ZINC000237883338 202379171 /nfs/dbraw/zinc/37/91/71/202379171.db2.gz DUEBCAFSQNUZBQ-AYHJJNSGSA-N 2 0 321.509 2.680 20 0 DFADRP C[C@@H](C[NH2+][C@H]1CC[C@H](Cc2ccccc2)C1)N1CC[NH+](C)CC1 ZINC000189152551 200356951 /nfs/dbraw/zinc/35/69/51/200356951.db2.gz LCJHVEAZCJLOKE-SXLOBPIMSA-N 2 0 315.505 2.623 20 0 DFADRP COC(=O)[C@@H](C)C[N@H+](CC[C@H]1CCC[NH+]1C)Cc1ccccc1 ZINC000247120289 291217830 /nfs/dbraw/zinc/21/78/30/291217830.db2.gz MLHDBDCHMWWXNJ-FUHWJXTLSA-N 2 0 318.461 2.782 20 0 DFADRP FC(F)CN1CC[C@@H]([NH2+]C2CC[NH+](C3CCCCC3)CC2)C1 ZINC000417383315 296015509 /nfs/dbraw/zinc/01/55/09/296015509.db2.gz KGYFOXGJVQTXFA-OAHLLOKOSA-N 2 0 315.452 2.713 20 0 DFADRP CC[NH+](CC)[C@@H](CNC(=O)[C@@H]1CCCC[N@@H+]1C)c1ccccc1 ZINC000599291140 398948269 /nfs/dbraw/zinc/94/82/69/398948269.db2.gz GWLRUPNQOAWCEJ-ROUUACIJSA-N 2 0 317.477 2.670 20 0 DFADRP Cc1cccc(NC(=O)C[C@@H](C)[NH2+]CC2=CC[N@H+](C)CC2)c1C ZINC000271894446 209302779 /nfs/dbraw/zinc/30/27/79/209302779.db2.gz SYEOCRXCWLYNKP-OAHLLOKOSA-N 2 0 315.461 2.872 20 0 DFADRP c1cc(CCC[NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)cc2c1OCC2 ZINC000193269884 201017154 /nfs/dbraw/zinc/01/71/54/201017154.db2.gz PXWRADIYWVZNSR-MRXNPFEDSA-N 2 0 300.446 2.628 20 0 DFADRP Cc1ccccc1C[NH+]1CCN(CCC[NH+]2CCCCC2)CC1 ZINC000193458809 201054795 /nfs/dbraw/zinc/05/47/95/201054795.db2.gz IQFKGWHNYSJUFX-UHFFFAOYSA-N 2 0 315.505 2.989 20 0 DFADRP C[C@@H]1CCC[C@@H](NC(=O)C[NH+]2CCC(CC[NH+](C)C)CC2)[C@@H]1C ZINC000056525091 398977691 /nfs/dbraw/zinc/97/76/91/398977691.db2.gz UXEQAVHGJHDMIN-JFIYKMOQSA-N 2 0 323.525 2.591 20 0 DFADRP CC(C)C[C@@H](C(=O)OC(C)(C)C)N1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000599425647 398977876 /nfs/dbraw/zinc/97/78/76/398977876.db2.gz LBFCBGFSXUIBPB-YJBOKZPZSA-N 2 0 310.482 2.770 20 0 DFADRP CC(C)C[C@@H](C(=O)OC(C)(C)C)N1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000599425520 398978341 /nfs/dbraw/zinc/97/83/41/398978341.db2.gz LBFCBGFSXUIBPB-MAUKXSAKSA-N 2 0 310.482 2.770 20 0 DFADRP CCC(CC)(CNC(=O)NCCC[NH3+])[NH2+][C@H](C)c1ccccc1 ZINC000417706512 296042422 /nfs/dbraw/zinc/04/24/22/296042422.db2.gz PCPMVZHZNSHFCX-OAHLLOKOSA-N 2 0 320.481 2.544 20 0 DFADRP Clc1csc(C[NH+]2CCC(C[NH+]3CCOCC3)CC2)c1 ZINC000194329947 201203802 /nfs/dbraw/zinc/20/38/02/201203802.db2.gz OKUAYIRJQMHOMQ-UHFFFAOYSA-N 2 0 314.882 2.946 20 0 DFADRP C[C@@H](C[NH2+]CC[C@H](C)c1ccccc1)CN1CC[NH+](C)CC1 ZINC000194415095 201222605 /nfs/dbraw/zinc/22/26/05/201222605.db2.gz PVWSGINSTCEAHC-ROUUACIJSA-N 2 0 303.494 2.653 20 0 DFADRP C[C@H](C[NH2+]Cc1ccnc(OCC[NH+](C)C)c1)c1ccccc1 ZINC000194576835 201254046 /nfs/dbraw/zinc/25/40/46/201254046.db2.gz JEAPPPWUFWELRB-MRXNPFEDSA-N 2 0 313.445 2.915 20 0 DFADRP CCCC[C@H](C[NH3+])NC(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000417817130 296054394 /nfs/dbraw/zinc/05/43/94/296054394.db2.gz VLANMZARKRGJSP-MRXNPFEDSA-N 2 0 324.513 2.600 20 0 DFADRP C[C@H]([NH2+]CCCC[NH+]1C[C@@H](C)O[C@H](C)C1)c1cccc(CO)c1 ZINC000271838406 209258594 /nfs/dbraw/zinc/25/85/94/209258594.db2.gz BFUAEZSEBBSPTK-ZACQAIPSSA-N 2 0 320.477 2.719 20 0 DFADRP CC[NH+](CC)[C@H](CNC(=O)CC[C@H]1CCC[NH2+]C1)CC(C)C ZINC000621641867 399006171 /nfs/dbraw/zinc/00/61/71/399006171.db2.gz YXCBEVBJTIPHBE-SJORKVTESA-N 2 0 311.514 2.639 20 0 DFADRP C[C@H]1[C@H]([NH+]2CCCC2)CCN1CC[N@H+](C)Cc1ccccc1 ZINC000296114122 291306443 /nfs/dbraw/zinc/30/64/43/291306443.db2.gz XYVLHWWYUGGJSO-PKOBYXMFSA-N 2 0 301.478 2.677 20 0 DFADRP O=C(CC[C@@H]1CCC[NH2+]C1)NCCCCC[NH+]1CCCCC1 ZINC000621648112 399007618 /nfs/dbraw/zinc/00/76/18/399007618.db2.gz RMAPNXAGMRFIEN-KRWDZBQOSA-N 2 0 309.498 2.539 20 0 DFADRP CC(C)CC[NH+]1CCC(CNC(=O)CC[C@@H]2CCC[NH2+]C2)CC1 ZINC000621651072 399009001 /nfs/dbraw/zinc/00/90/01/399009001.db2.gz GWUWPWWXPKNRSB-KRWDZBQOSA-N 2 0 323.525 2.641 20 0 DFADRP Cn1c2ccccc2nc1CC[N@@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000292939207 223318358 /nfs/dbraw/zinc/31/83/58/223318358.db2.gz JTYPPUITNLOUDZ-LJQANCHMSA-N 2 0 312.461 2.534 20 0 DFADRP COCc1cc([C@@H](C)[NH2+]CC2=CC[N@H+](C)CC2)ccc1OC ZINC000271813903 209236503 /nfs/dbraw/zinc/23/65/03/209236503.db2.gz BDBVCJZXPUAFFP-CQSZACIVSA-N 2 0 304.434 2.754 20 0 DFADRP CCn1cncc1C[NH2+][C@H](C)[C@@H](c1ccccc1C)N(C)C ZINC000418006121 296070796 /nfs/dbraw/zinc/07/07/96/296070796.db2.gz BPXQDKCDPBRJFP-QAPCUYQASA-N 2 0 300.450 2.992 20 0 DFADRP C[NH+]1CCC(Oc2ccc(C[NH2+][C@H]3COC(C)(C)C3)cc2)CC1 ZINC000418041674 296073989 /nfs/dbraw/zinc/07/39/89/296073989.db2.gz KXMLMSFEAOSEJA-MRXNPFEDSA-N 2 0 318.461 2.817 20 0 DFADRP C[NH+](C)C1CCN(CC[NH2+][C@H](c2ccccc2)C2CC2)CC1 ZINC000091367532 193047484 /nfs/dbraw/zinc/04/74/84/193047484.db2.gz HBRJZPTUPFSMRB-LJQANCHMSA-N 2 0 301.478 2.753 20 0 DFADRP COC(=O)[C@@H]1CC[N@H+](CCC[NH+]2CCCCC2)[C@H]2CCC[C@@H]21 ZINC000599653099 399047076 /nfs/dbraw/zinc/04/70/76/399047076.db2.gz IUSGPXOWSRMGPH-ZACQAIPSSA-N 2 0 308.466 2.526 20 0 DFADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]CC[C@@H]2CC2(F)F)[C@@H](C)C1 ZINC000621768375 399073061 /nfs/dbraw/zinc/07/30/61/399073061.db2.gz OBHKAPYVHCIIDN-ZNMIVQPWSA-N 2 0 304.425 2.758 20 0 DFADRP CC(C)C[C@@H](CNC1=[NH+]CCCN1)[NH2+][C@@H](C)c1ccccc1 ZINC000479290767 299375050 /nfs/dbraw/zinc/37/50/50/299375050.db2.gz SYACNSQYTVFHNH-RDJZCZTQSA-N 2 0 302.466 2.691 20 0 DFADRP C[C@@H]([NH2+]CC1(O)CC[NH+](C)CC1)C1(c2ccccc2)CCCC1 ZINC000289361067 296119414 /nfs/dbraw/zinc/11/94/14/296119414.db2.gz ZGKRTXCCGYVPEC-QGZVFWFLSA-N 2 0 316.489 2.933 20 0 DFADRP C[C@@H]([NH2+]CCCC[NH+]1C[C@@H](C)O[C@H](C)C1)c1cncc(F)c1 ZINC000247119817 296122306 /nfs/dbraw/zinc/12/23/06/296122306.db2.gz UOVULTHNAVFXGU-RBSFLKMASA-N 2 0 309.429 2.761 20 0 DFADRP C[C@@H]([NH2+]CCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1)c1cncc(F)c1 ZINC000247119798 296122085 /nfs/dbraw/zinc/12/20/85/296122085.db2.gz UOVULTHNAVFXGU-QLFBSQMISA-N 2 0 309.429 2.761 20 0 DFADRP C[C@H]([NH2+][C@H]1CCCC[C@@H]1O)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000275140531 212146346 /nfs/dbraw/zinc/14/63/46/212146346.db2.gz RLMUSIKGXREWJD-WNHJNPCNSA-N 2 0 302.462 2.790 20 0 DFADRP Cc1cc(N2C[C@H](C)[N@@H+](CCO)C[C@@H]2C)c2cc(F)ccc2[nH+]1 ZINC000419005390 296123792 /nfs/dbraw/zinc/12/37/92/296123792.db2.gz PIKNTTXPRXGBKJ-KBPBESRZSA-N 2 0 317.408 2.574 20 0 DFADRP CC[NH+](CC)Cc1ccc(C(=O)N[C@H]2CCC[N@H+](CC)C2)cc1 ZINC000338147404 284090970 /nfs/dbraw/zinc/09/09/70/284090970.db2.gz FOJHMDQOGNHKSZ-SFHVURJKSA-N 2 0 317.477 2.743 20 0 DFADRP CC[N@@H+]1CC[C@H](C[NH2+][C@H](C)CCc2ccc3c(c2)OCO3)C1 ZINC000261648138 203087586 /nfs/dbraw/zinc/08/75/86/203087586.db2.gz JIHVUPYMPKDRIW-GDBMZVCRSA-N 2 0 304.434 2.668 20 0 DFADRP Cc1ccc(C[NH2+]CCCC[NH+](C)C)c(-c2ccnn2C)c1 ZINC000338419185 284110340 /nfs/dbraw/zinc/11/03/40/284110340.db2.gz KISNHWQMGKIDJL-UHFFFAOYSA-N 2 0 300.450 2.827 20 0 DFADRP C[C@H]([NH2+]C(C)(C)CNC(=O)[C@@H]1CCC[C@@H]1C[NH3+])c1ccccc1 ZINC000261679389 203092454 /nfs/dbraw/zinc/09/24/54/203092454.db2.gz GRFZGQZYYOCLSK-USXIJHARSA-N 2 0 317.477 2.607 20 0 DFADRP C[N@H+](CCN1CC[NH+](C2CCCC2)CC1)Cc1ccccc1 ZINC000093105031 193204613 /nfs/dbraw/zinc/20/46/13/193204613.db2.gz MMVPYGQSKOMREE-UHFFFAOYSA-N 2 0 301.478 2.679 20 0 DFADRP C[C@@H](CSc1nnc(SC[C@H](C)[NH+](C)C)s1)[NH+](C)C ZINC000060202136 399118970 /nfs/dbraw/zinc/11/89/70/399118970.db2.gz LRMVAUQUAOINLV-UWVGGRQHSA-N 2 0 320.553 2.623 20 0 DFADRP CCC[C@@](C)([NH3+])C(=O)Nc1cccc(CC[NH+]2CCCC2)c1 ZINC000262587179 203340972 /nfs/dbraw/zinc/34/09/72/203340972.db2.gz SXMZQQLRBWCXIY-GOSISDBHSA-N 2 0 303.450 2.781 20 0 DFADRP CC[N@H+](Cc1ccc(C(=O)N(C)CC(C)(C)C[NH3+])cc1)C(C)C ZINC000262597730 203344751 /nfs/dbraw/zinc/34/47/51/203344751.db2.gz ZKBFLESTYVVADV-UHFFFAOYSA-N 2 0 319.493 2.974 20 0 DFADRP C[NH+](C)C1CCN(CC[NH2+]Cc2cc(F)cc(Cl)c2)CC1 ZINC000275013055 212074042 /nfs/dbraw/zinc/07/40/42/212074042.db2.gz QXFQUCWFNVQNAO-UHFFFAOYSA-N 2 0 313.848 2.595 20 0 DFADRP CCC(CC)(CNC(=O)CCC[NH3+])[NH2+][C@@H](C)c1ccccc1 ZINC000262655658 203366425 /nfs/dbraw/zinc/36/64/25/203366425.db2.gz COLPBRVUJKVADO-HNNXBMFYSA-N 2 0 305.466 2.751 20 0 DFADRP CCC[C@@](C)([NH3+])C(=O)NC[C@@H](c1ccc(C)cc1)[NH+]1CCCC1 ZINC000262717037 203391804 /nfs/dbraw/zinc/39/18/04/203391804.db2.gz VZBLHMPUNXJVHF-PKOBYXMFSA-N 2 0 317.477 2.766 20 0 DFADRP C[C@@H]([NH2+][C@@H](C)CN1CC[NH+](C)CC1)c1csc(Cl)c1 ZINC000191274591 296146877 /nfs/dbraw/zinc/14/68/77/296146877.db2.gz WLFFFZDACIRTAX-NWDGAFQWSA-N 2 0 301.887 2.688 20 0 DFADRP COc1ccccc1C[NH+]1CCC(OCC[NH+]2CCCC2)CC1 ZINC000093735145 193298231 /nfs/dbraw/zinc/29/82/31/193298231.db2.gz QMQDKFXTXRFWFV-UHFFFAOYSA-N 2 0 318.461 2.772 20 0 DFADRP COC[C@H](NCc1cnc(N(C)C)n1C)c1cccc(Cl)c1 ZINC000419703306 296147333 /nfs/dbraw/zinc/14/73/33/296147333.db2.gz DEVMYYSZBLUFKS-HNNXBMFYSA-N 2 0 322.840 2.617 20 0 DFADRP CC[C@@H](Cn1cncn1)[NH2+]Cc1cccc(C[N@H+](C)C(C)C)c1 ZINC000340520659 284186347 /nfs/dbraw/zinc/18/63/47/284186347.db2.gz SVVTYWHIOXBHHQ-SFHVURJKSA-N 2 0 315.465 2.687 20 0 DFADRP COc1cc2c(cc1F)[nH+]ccc2N1CCC[C@H](C)[C@@H]1C[NH3+] ZINC000420178310 296160684 /nfs/dbraw/zinc/16/06/84/296160684.db2.gz AUAQJNNBUUGYIE-ZBEGNZNMSA-N 2 0 303.381 2.946 20 0 DFADRP CCc1cc(N2CCC[C@@H](CC[NH3+])C2)nc(-c2ccncc2)n1 ZINC000420240167 296164906 /nfs/dbraw/zinc/16/49/06/296164906.db2.gz KFIXOOJWBDDSFV-AWEZNQCLSA-N 2 0 311.433 2.666 20 0 DFADRP c1ccc(CC[NH+]2CCN(c3cc[nH+]c4ccccc43)CC2)nc1 ZINC000264668024 204065119 /nfs/dbraw/zinc/06/51/19/204065119.db2.gz SWTFPEVJAHDAIO-UHFFFAOYSA-N 2 0 318.424 2.995 20 0 DFADRP CCOC(=O)c1cnc2ccc(C)cc2c1N1C[C@@H](C)[C@H]([NH3+])C1 ZINC000420278770 296168653 /nfs/dbraw/zinc/16/86/53/296168653.db2.gz OJMVDQPQEGTTQK-IUODEOHRSA-N 2 0 313.401 2.503 20 0 DFADRP C[C@H]1CN(c2ccnc3ccc(Br)cc32)C[C@H]1[NH3+] ZINC000420285916 296169366 /nfs/dbraw/zinc/16/93/66/296169366.db2.gz VWPDXYUNXHVBAU-JOYOIKCWSA-N 2 0 306.207 2.781 20 0 DFADRP CC[NH2+]CC1CC[NH+](Cc2ccc(C(F)(F)F)cn2)CC1 ZINC000420283551 296169026 /nfs/dbraw/zinc/16/90/26/296169026.db2.gz CBFZPYGBHUBSPP-UHFFFAOYSA-N 2 0 301.356 2.922 20 0 DFADRP CCc1ccccc1NC(=O)[C@@H](C)[NH+]1CCC([C@@H](C)[NH3+])CC1 ZINC000420286322 296169611 /nfs/dbraw/zinc/16/96/11/296169611.db2.gz FHLMMERKRPIIOE-ZIAGYGMSSA-N 2 0 303.450 2.635 20 0 DFADRP CCC[N@H+](C)CC(=O)N[C@@H](C[NH+]1CCCCC1)c1ccccc1 ZINC000607338937 399157714 /nfs/dbraw/zinc/15/77/14/399157714.db2.gz WWHFKADCAIYTET-SFHVURJKSA-N 2 0 317.477 2.672 20 0 DFADRP CC[NH2+]CC1CC[NH+](Cc2cc(C(=O)OC)sc2C)CC1 ZINC000420293488 296170102 /nfs/dbraw/zinc/17/01/02/296170102.db2.gz RBAUWYPGVYAKDD-UHFFFAOYSA-N 2 0 310.463 2.665 20 0 DFADRP OCCC[N@H+](CC[C@H]1CCC[NH2+]C1)[C@H]1CCc2ccccc21 ZINC000420295333 296170679 /nfs/dbraw/zinc/17/06/79/296170679.db2.gz CFJAKNYHLNVXDA-APWZRJJASA-N 2 0 302.462 2.748 20 0 DFADRP CCC[C@@H]1[C@@H](C)CCC[N@@H+]1C[C@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC000420295322 296170447 /nfs/dbraw/zinc/17/04/47/296170447.db2.gz CFACGTMCSADBRK-KANFNMMFSA-N 2 0 304.478 2.818 20 0 DFADRP CCC[C@H]1[C@@H](C)CCC[N@@H+]1C[C@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC000420295327 296170578 /nfs/dbraw/zinc/17/05/78/296170578.db2.gz CFACGTMCSADBRK-WNHJNPCNSA-N 2 0 304.478 2.818 20 0 DFADRP CC[N@H+](CC[C@@H]1CCC[NH2+]C1)C[C@@H]1COc2ccccc2O1 ZINC000420299025 296171255 /nfs/dbraw/zinc/17/12/55/296171255.db2.gz GBWKCWUKLNRBPB-JKSUJKDBSA-N 2 0 304.434 2.538 20 0 DFADRP C[C@@H]1C[N@H+](CC[C@H]2CCC[NH2+]C2)C[C@H](c2ccc(F)cc2)O1 ZINC000420297179 296170885 /nfs/dbraw/zinc/17/08/85/296170885.db2.gz FRUPGCDTFINWRE-IIDMSEBBSA-N 2 0 306.425 2.977 20 0 DFADRP Cc1cccc(C)c1NC(=O)C[N@H+](C)CC[C@H]1CCC[NH2+]C1 ZINC000420297829 296171079 /nfs/dbraw/zinc/17/10/79/296171079.db2.gz DPVNMALWLDZHHH-MRXNPFEDSA-N 2 0 303.450 2.563 20 0 DFADRP COc1ccc(CC2CC[NH+](CC[C@H]3CC[NH2+]C3)CC2)cc1 ZINC000420302091 296171717 /nfs/dbraw/zinc/17/17/17/296171717.db2.gz MAQIMSNGWCWICL-GOSISDBHSA-N 2 0 302.462 2.949 20 0 DFADRP Fc1cc(OCC[N@@H+]2CCC3(C2)CC[NH2+]CC3)ccc1Cl ZINC000420300031 296171290 /nfs/dbraw/zinc/17/12/90/296171290.db2.gz CBVXXIKISSZIGP-UHFFFAOYSA-N 2 0 312.816 2.933 20 0 DFADRP CCc1ccccc1NC(=O)[C@@H](C)[N@@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000420302412 296171770 /nfs/dbraw/zinc/17/17/70/296171770.db2.gz FYVSJXFMQHIKBU-OAHLLOKOSA-N 2 0 315.461 2.652 20 0 DFADRP Cc1cc(C)cc(NC(=O)[C@H](C)[N@@H+]2CCC[C@@H](CC[NH3+])C2)c1 ZINC000420302168 296171874 /nfs/dbraw/zinc/17/18/74/296171874.db2.gz BGSZKCBPFQYYNM-HOTGVXAUSA-N 2 0 303.450 2.691 20 0 DFADRP c1cc([C@@H]2CCC[N@H+]2CC[C@@H]2CCC[NH2+]C2)cc2c1OCO2 ZINC000420304869 296172025 /nfs/dbraw/zinc/17/20/25/296172025.db2.gz OUNVOGUGWVDGCM-HOCLYGCPSA-N 2 0 302.418 2.942 20 0 DFADRP c1ccc(CCCO[C@@H]2CC[N@H+](CC[C@H]3CC[NH2+]C3)C2)cc1 ZINC000420309034 296172912 /nfs/dbraw/zinc/17/29/12/296172912.db2.gz STXNYZSYOOHPIM-RTBURBONSA-N 2 0 302.462 2.710 20 0 DFADRP c1ccc(CCCO[C@H]2CC[N@H+](CC[C@H]3CC[NH2+]C3)C2)cc1 ZINC000420309028 296172922 /nfs/dbraw/zinc/17/29/22/296172922.db2.gz STXNYZSYOOHPIM-MOPGFXCFSA-N 2 0 302.462 2.710 20 0 DFADRP COc1ccc([C@H]2CCC[N@@H+]2CC[C@H]2CC[NH2+]C2)cc1OC ZINC000420303435 296172338 /nfs/dbraw/zinc/17/23/38/296172338.db2.gz KIFOPNQBYTTWIY-GDBMZVCRSA-N 2 0 304.434 2.840 20 0 DFADRP CC[NH+](CC)Cc1cccc(NC(=O)[C@@H]2C[N@H+](C)C[C@@H]2C)c1 ZINC000341696533 284276591 /nfs/dbraw/zinc/27/65/91/284276591.db2.gz RSDOOSKGOBXPNK-WMLDXEAASA-N 2 0 303.450 2.665 20 0 DFADRP COc1ccc([C@@H](C[NH3+])CN(C)CC[C@@H]2CCCC[N@@H+]2C)cc1 ZINC000420307224 296172698 /nfs/dbraw/zinc/17/26/98/296172698.db2.gz BHHCDVFYJSABIR-ROUUACIJSA-N 2 0 319.493 2.544 20 0 DFADRP Cc1ncsc1CN(CCOCC(C)C)C[C@@H]1CC[NH2+]C1 ZINC000420311553 296173224 /nfs/dbraw/zinc/17/32/24/296173224.db2.gz NNOWWRGAJJGEAS-OAHLLOKOSA-N 2 0 311.495 2.536 20 0 DFADRP Cc1cccc(NC(=O)[C@H](C)[N@@H+]2CCC3(C2)CC[NH2+]CC3)c1C ZINC000420312540 296173368 /nfs/dbraw/zinc/17/33/68/296173368.db2.gz SIKDNVQHEQLWEQ-INIZCTEOSA-N 2 0 315.461 2.706 20 0 DFADRP CC(C)(C)C[C@@H]1CCC[N@@H+]1C[C@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC000420312785 296173593 /nfs/dbraw/zinc/17/35/93/296173593.db2.gz XGSFTAZRTFHVLI-BZSNNMDCSA-N 2 0 304.478 2.818 20 0 DFADRP CCOC(=O)CC[N@@H+]1CCCC[C@@H]1[C@@H](C[NH3+])Cc1ccccc1 ZINC000420314808 296173691 /nfs/dbraw/zinc/17/36/91/296173691.db2.gz QVTVSEBKBOHBMK-QZTJIDSGSA-N 2 0 318.461 2.612 20 0 DFADRP COc1ccc([C@@H](C[NH3+])C[N@@H+]2CCCC[C@H]2c2cn[nH]c2)cc1 ZINC000420307619 296172984 /nfs/dbraw/zinc/17/29/84/296172984.db2.gz BVVYNXCESDMPCH-YJBOKZPZSA-N 2 0 314.433 2.688 20 0 DFADRP COc1ccc(CC[NH2+][C@@H]2C[C@H](C)[N@H+](C)C[C@H]2C)c(OC)c1 ZINC000341886725 284283201 /nfs/dbraw/zinc/28/32/01/284283201.db2.gz CCTSYEHGTZYFQA-JKIFEVAISA-N 2 0 306.450 2.565 20 0 DFADRP FC(F)(F)c1ccc(C[NH+]2CCC([C@H]3CC[NH2+]C3)CC2)nc1 ZINC000420320096 296174491 /nfs/dbraw/zinc/17/44/91/296174491.db2.gz STKTYJDSFFQPDU-ZDUSSCGKSA-N 2 0 313.367 2.922 20 0 DFADRP C[N@H+](CC[C@H]1CCC[NH2+]C1)[C@@H]1CCCN(c2ccccc2)C1 ZINC000420321642 296174716 /nfs/dbraw/zinc/17/47/16/296174716.db2.gz RIVOTIJXCRCCEI-IEBWSBKVSA-N 2 0 301.478 2.977 20 0 DFADRP [NH3+]C[C@H]1C[N@@H+]([C@H]2CCc3ccc(F)cc32)CC12CCOCC2 ZINC000420321274 296174799 /nfs/dbraw/zinc/17/47/99/296174799.db2.gz COZYGRMVVREVNG-YOEHRIQHSA-N 2 0 304.409 2.500 20 0 DFADRP Cc1ccc(CCC2CC[NH+](CCN3CC[NH2+]CC3)CC2)cc1 ZINC000420315985 296174094 /nfs/dbraw/zinc/17/40/94/296174094.db2.gz MBKOBBWDRYMVDQ-UHFFFAOYSA-N 2 0 315.505 2.545 20 0 DFADRP C[C@H](c1c(F)cccc1F)[NH+]1CCC([C@@H]2OCC[C@H]2[NH3+])CC1 ZINC000420323302 296175235 /nfs/dbraw/zinc/17/52/35/296175235.db2.gz BHKRIFBSEILQQL-JGFGOQIWSA-N 2 0 310.388 2.854 20 0 DFADRP [NH3+]C[C@@H]1C[N@@H+]([C@@H]2CCCc3ccc(F)cc32)CC12CCOCC2 ZINC000420325545 296175593 /nfs/dbraw/zinc/17/55/93/296175593.db2.gz IUMXWAMXGCLNCQ-CRAIPNDOSA-N 2 0 318.436 2.890 20 0 DFADRP Cc1ccccc1NC(=O)[C@H](C)[NH+]1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000420332552 296176550 /nfs/dbraw/zinc/17/65/50/296176550.db2.gz DDVIPKFBPOUDNS-MAUKXSAKSA-N 2 0 315.461 2.786 20 0 DFADRP C[C@@H](c1ccc(-n2cncn2)cc1)[N@H+](C)CC[C@H]1CCC[NH2+]C1 ZINC000420326849 296175798 /nfs/dbraw/zinc/17/57/98/296175798.db2.gz XXJIOFYMEUVELM-JKSUJKDBSA-N 2 0 313.449 2.650 20 0 DFADRP CC[NH+](CC)CCOC1CC[NH+]([C@H](C)c2cccnc2)CC1 ZINC000080645757 399165843 /nfs/dbraw/zinc/16/58/43/399165843.db2.gz NUFAVFLUSGXHAW-MRXNPFEDSA-N 2 0 305.466 2.965 20 0 DFADRP Fc1ccc(OCC[N@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)c(Cl)c1 ZINC000420336446 296177212 /nfs/dbraw/zinc/17/72/12/296177212.db2.gz MPQUTRCDHDWBGJ-BETUJISGSA-N 2 0 312.816 2.789 20 0 DFADRP C(c1nc(C2CCCC2)no1)[N@@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420336022 296177239 /nfs/dbraw/zinc/17/72/39/296177239.db2.gz VINOQOWBVHAXTB-HUUCEWRRSA-N 2 0 304.438 2.549 20 0 DFADRP CC(=O)c1ccccc1OCC[N@@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000420339452 296177409 /nfs/dbraw/zinc/17/74/09/296177409.db2.gz LSKSMVVRMDVRBK-DLBZAZTESA-N 2 0 316.445 2.590 20 0 DFADRP COc1ccccc1CCC[N@@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420338261 296177461 /nfs/dbraw/zinc/17/74/61/296177461.db2.gz XPYALCLKRDCOIF-MSOLQXFVSA-N 2 0 302.462 2.949 20 0 DFADRP c1ccc(CCOCCC[N@@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)cc1 ZINC000420338283 296177463 /nfs/dbraw/zinc/17/74/63/296177463.db2.gz XQTDUXZGDCIYFO-WOJBJXKFSA-N 2 0 316.489 2.957 20 0 DFADRP COC(=O)c1cc(C[N@@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)c(C)s1 ZINC000420338909 296177532 /nfs/dbraw/zinc/17/75/32/296177532.db2.gz YGYGHTWLWNTGHF-ZIAGYGMSSA-N 2 0 322.474 2.665 20 0 DFADRP c1cnc2sc(C[N@@H+]3CCC[C@H]([C@@H]4CC[NH2+]C4)C3)nc2c1 ZINC000420337756 296177002 /nfs/dbraw/zinc/17/70/02/296177002.db2.gz XAGJPXULADCIMI-OLZOCXBDSA-N 2 0 302.447 2.513 20 0 DFADRP c1ccc(CCOCCC[N@@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)cc1 ZINC000420338278 296177572 /nfs/dbraw/zinc/17/75/72/296177572.db2.gz XQTDUXZGDCIYFO-UXHICEINSA-N 2 0 316.489 2.957 20 0 DFADRP C[C@H](c1cccc(F)c1)N1CC[NH+](CCC2CC[NH2+]CC2)CC1 ZINC000420353013 296178848 /nfs/dbraw/zinc/17/88/48/296178848.db2.gz BDVHPBYCKCUASB-MRXNPFEDSA-N 2 0 319.468 2.894 20 0 DFADRP CC[C@@H](Cc1ccccc1)[NH2+]CCN1CC[N@H+](C)C(C)(C)C1 ZINC000282502222 217044304 /nfs/dbraw/zinc/04/43/04/217044304.db2.gz YHDHGOSRGBTZEG-SFHVURJKSA-N 2 0 303.494 2.623 20 0 DFADRP C[C@H](c1ccc(F)cc1F)[NH+]1CCC([C@@H]2OCC[C@H]2[NH3+])CC1 ZINC000420344384 296178261 /nfs/dbraw/zinc/17/82/61/296178261.db2.gz YAVDHDHSPAZZLB-LQAWEQHXSA-N 2 0 310.388 2.854 20 0 DFADRP CC1(C)C[NH2+]CC[C@H]1[NH2+]CCCc1nc(-c2ccccc2)no1 ZINC000420354432 296178797 /nfs/dbraw/zinc/17/87/97/296178797.db2.gz CZKZTJIUQTVQBK-OAHLLOKOSA-N 2 0 314.433 2.647 20 0 DFADRP [NH3+]CCOCC[NH+]1CCC(Sc2ccc(Cl)cc2)CC1 ZINC000420365129 296180709 /nfs/dbraw/zinc/18/07/09/296180709.db2.gz DQCPNQKIXWQTHR-UHFFFAOYSA-N 2 0 314.882 2.872 20 0 DFADRP COc1ccc([C@H](C[NH3+])C[N@H+](C)CCc2ncc(C)s2)cc1 ZINC000420368399 296181283 /nfs/dbraw/zinc/18/12/83/296181283.db2.gz WUPNUMIWIWKTLI-OAHLLOKOSA-N 2 0 319.474 2.677 20 0 DFADRP COC(=O)[C@@H](C)C[N@H+](CC[C@@H]1CCC[NH2+]C1)Cc1ccccc1 ZINC000420367886 296181197 /nfs/dbraw/zinc/18/11/97/296181197.db2.gz WKGGAYZYCGCXFA-IRXDYDNUSA-N 2 0 318.461 2.687 20 0 DFADRP Cc1ccc([C@H](C)[NH2+]C[C@H](O)[C@@H]([NH3+])Cc2ccccc2)cc1C ZINC000420373586 296182292 /nfs/dbraw/zinc/18/22/92/296182292.db2.gz MOHRCPQDYHQRAY-VDGAXYAQSA-N 2 0 312.457 2.885 20 0 DFADRP c1nc2ccccc2n1C[C@H]1CCC[N@H+]1CCC1CC[NH2+]CC1 ZINC000420376624 296182649 /nfs/dbraw/zinc/18/26/49/296182649.db2.gz QVLGULJBFFNUMT-QGZVFWFLSA-N 2 0 312.461 2.890 20 0 DFADRP Cc1c(F)cccc1NC(=O)CC[N@@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000420375904 296182832 /nfs/dbraw/zinc/18/28/32/296182832.db2.gz ONHRKMSNVYBAJD-SFHVURJKSA-N 2 0 319.424 2.538 20 0 DFADRP COc1ccc(CNCCC[NH+]2CCCCC2)c(C)c1OC ZINC000342063376 284319318 /nfs/dbraw/zinc/31/93/18/284319318.db2.gz POUJOFIIPGEJPI-UHFFFAOYSA-N 2 0 306.450 2.978 20 0 DFADRP FC(F)c1cccc(C[N@@H+]2CC3(CC[NH2+]CC3)[C@@H]3COC[C@@H]32)c1 ZINC000420386802 296184270 /nfs/dbraw/zinc/18/42/70/296184270.db2.gz IVRYMCJVRKLSHR-CVEARBPZSA-N 2 0 322.399 2.825 20 0 DFADRP [NH3+][C@H]1CCO[C@@H](C2CC[NH+](CCCc3ccccc3)CC2)C1 ZINC000420387580 296184381 /nfs/dbraw/zinc/18/43/81/296184381.db2.gz KLRLEFYFQBILER-RBUKOAKNSA-N 2 0 302.462 2.838 20 0 DFADRP Cc1ccc(CC[NH+]2CCC([C@H]3OCCC[C@H]3[NH3+])CC2)cc1 ZINC000420387453 296184432 /nfs/dbraw/zinc/18/44/32/296184432.db2.gz VVKFKGOBIRVFAS-RTBURBONSA-N 2 0 302.462 2.756 20 0 DFADRP [NH3+][C@H]1CCO[C@H](C2CC[NH+](CCCc3cccc(F)c3)CC2)C1 ZINC000420386615 296184456 /nfs/dbraw/zinc/18/44/56/296184456.db2.gz IWKKYHGWQHJSAJ-OALUTQOASA-N 2 0 320.452 2.977 20 0 DFADRP C[C@@H]1CCC[C@H](CC[N@@H+]2CC3(CC[NH2+]CC3)[C@@H]3COC[C@@H]32)C1 ZINC000420388301 296184978 /nfs/dbraw/zinc/18/49/78/296184978.db2.gz MBAMFWBVMUMRDY-TVFCKZIOSA-N 2 0 306.494 2.903 20 0 DFADRP Cc1ccsc1[C@@H](Cc1ccccc1)[NH2+]CCOCC[NH3+] ZINC000420398332 296185952 /nfs/dbraw/zinc/18/59/52/296185952.db2.gz GXAHEMUKGVXIIZ-MRXNPFEDSA-N 2 0 304.459 2.905 20 0 DFADRP CC(C)[C@H]1CCCC[C@H]1[NH2+]C[C@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC000420399474 296186217 /nfs/dbraw/zinc/18/62/17/296186217.db2.gz IAERWWGBGVBRGZ-HCXYKTFWSA-N 2 0 304.478 2.722 20 0 DFADRP COc1cccc(OCC[N@@H+]2CCCC[C@H]2[C@@H]2CC[NH2+]C2)c1 ZINC000420406896 296187302 /nfs/dbraw/zinc/18/73/02/296187302.db2.gz UTGDCPTVXAUJIP-QAPCUYQASA-N 2 0 304.434 2.538 20 0 DFADRP c1cc2c(cc1[C@H]([NH2+]CCC1CC[NH2+]CC1)C1CC1)OCCO2 ZINC000420404943 296186993 /nfs/dbraw/zinc/18/69/93/296186993.db2.gz MMJBMNFHISWKPG-LJQANCHMSA-N 2 0 316.445 2.888 20 0 DFADRP Cc1cc(C)n(-c2ccc(C[N@H+]3CC[C@H](C)[C@H](C[NH3+])C3)cc2)n1 ZINC000420417295 296188032 /nfs/dbraw/zinc/18/80/32/296188032.db2.gz WHZCLHABHWWSJO-KBXCAEBGSA-N 2 0 312.461 2.906 20 0 DFADRP CC[N@H+](C)[C@@H](C(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)c1ccccc1 ZINC000081731701 284366818 /nfs/dbraw/zinc/36/68/18/284366818.db2.gz GSGQNJZYLMUIHT-DOTOQJQBSA-N 2 0 319.493 2.772 20 0 DFADRP CC[C@@H](C(=O)N[C@H]1CC[N@@H+](C2CCCCC2)C1)[NH+](CC)CC ZINC000618661077 399200709 /nfs/dbraw/zinc/20/07/09/399200709.db2.gz NQHDJLGIFSBUKK-RDJZCZTQSA-N 2 0 309.498 2.630 20 0 DFADRP Cc1cc(CNC(=O)NC[C@H](C)[N@@H+]2CCCC[C@@H]2C)cc(C)n1 ZINC000420789129 296202127 /nfs/dbraw/zinc/20/21/27/296202127.db2.gz DLCDEPDANZMBCB-HOTGVXAUSA-N 2 0 318.465 2.761 20 0 DFADRP O[C@H]1C[C@@H](C[NH+]2CCC3(CC[N@H+](Cc4ccccc4)C3)CC2)C1 ZINC000420913138 296211188 /nfs/dbraw/zinc/21/11/88/296211188.db2.gz AIBQDMNWWATZBL-KDURUIRLSA-N 2 0 314.473 2.745 20 0 DFADRP O[C@@]1(Cc2ccc(F)cc2)CC[N@H+](CCC[NH+]2CCCCC2)C1 ZINC000421026275 296227995 /nfs/dbraw/zinc/22/79/95/296227995.db2.gz UCQVYCULIXACFB-LJQANCHMSA-N 2 0 320.452 2.681 20 0 DFADRP C[C@H]1C[C@@H]([NH2+]Cc2ccc(Oc3cnccn3)cc2)CC[N@@H+]1C ZINC000608385125 399258462 /nfs/dbraw/zinc/25/84/62/399258462.db2.gz IANAZUDJINLFFI-HOCLYGCPSA-N 2 0 312.417 2.841 20 0 DFADRP C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC000618987822 399271673 /nfs/dbraw/zinc/27/16/73/399271673.db2.gz UZFPOYNPSAPZFH-WMZOPIPTSA-N 2 0 321.509 2.630 20 0 DFADRP CC[NH+]1CCN([C@@H]2CC[N@H+](Cc3cccc(C4CC4)c3)C2)CC1 ZINC000421318799 296244279 /nfs/dbraw/zinc/24/42/79/296244279.db2.gz IEENBSPSSUBCBT-HXUWFJFHSA-N 2 0 313.489 2.776 20 0 DFADRP C[NH+](C)C1CCC([NH2+]Cc2ccc(Br)cn2)CC1 ZINC000421373334 296250048 /nfs/dbraw/zinc/25/00/48/296250048.db2.gz NPMYMGQIMBYPHO-UHFFFAOYSA-N 2 0 312.255 2.807 20 0 DFADRP OC[C@H]1CCC[N@@H+]1CCCC[NH2+]Cc1cccc(C2CC2)c1 ZINC000421370205 296249830 /nfs/dbraw/zinc/24/98/30/296249830.db2.gz WRMFODBHBCFVLD-LJQANCHMSA-N 2 0 302.462 2.891 20 0 DFADRP CCN(CC)c1ncc(C[NH2+]C2CCC([NH+](C)C)CC2)s1 ZINC000421377966 296250284 /nfs/dbraw/zinc/25/02/84/296250284.db2.gz UTEDBTFRMWLQJS-UHFFFAOYSA-N 2 0 310.511 2.952 20 0 DFADRP CON1CCC([NH2+]C2CC[NH+]([C@H]3CCCC[C@@H]3C)CC2)CC1 ZINC000421402384 296253076 /nfs/dbraw/zinc/25/30/76/296253076.db2.gz VSKPWIDEEOPPMG-YJBOKZPZSA-N 2 0 309.498 2.645 20 0 DFADRP CC(C)[C@H](C[NH2+]Cc1cccc(Cl)c1)N1CC[NH+](C)CC1 ZINC000040435524 183066469 /nfs/dbraw/zinc/06/64/69/183066469.db2.gz HQMIXWNZYDNMGN-KRWDZBQOSA-N 2 0 309.885 2.702 20 0 DFADRP C[N@@H+](Cc1csc(Br)c1)CC1CC[NH2+]CC1 ZINC000042365811 183260114 /nfs/dbraw/zinc/26/01/14/183260114.db2.gz GSTUKJRSLZCAFC-UHFFFAOYSA-N 2 0 303.269 2.942 20 0 DFADRP CC(C)[C@H]([NH3+])CCN(C)C(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000623067070 399321993 /nfs/dbraw/zinc/32/19/93/399321993.db2.gz YIGYOQKIHVYHMQ-MRXNPFEDSA-N 2 0 306.454 2.585 20 0 DFADRP COCC[N@H+](C)CCC[NH2+][C@@H](C)Cc1ccc(F)cc1Cl ZINC000421818380 296276730 /nfs/dbraw/zinc/27/67/30/296276730.db2.gz AOPAZPDRFCRBBR-ZDUSSCGKSA-N 2 0 316.848 2.968 20 0 DFADRP CC(C)[C@H](C(=O)N1CCC2(CCC([NH+](C)C)CC2)CC1)[NH+](C)C ZINC000615445020 399337316 /nfs/dbraw/zinc/33/73/16/399337316.db2.gz HFPJCRUWYDSOTE-QGZVFWFLSA-N 2 0 323.525 2.686 20 0 DFADRP Cc1cccc(C[N@H+]2CC[C@@H](N3CC[NH+](C(C)C)CC3)C2)c1 ZINC000610250334 399350915 /nfs/dbraw/zinc/35/09/15/399350915.db2.gz TVYGKXNRICPROS-LJQANCHMSA-N 2 0 301.478 2.595 20 0 DFADRP CC[NH+]1CCN(C[C@H](C)C[NH2+]Cc2cccc3[nH]ccc32)CC1 ZINC000105441094 194104380 /nfs/dbraw/zinc/10/43/80/194104380.db2.gz BYGQJUBZRIEYSC-MRXNPFEDSA-N 2 0 314.477 2.531 20 0 DFADRP C/C(=C\c1ccccc1)C[NH2+]C[C@H](C)CN1CC[NH+](C)CC1 ZINC000105439306 194104677 /nfs/dbraw/zinc/10/46/77/194104677.db2.gz QEGHKJYWXOOHON-KJCUYJGMSA-N 2 0 301.478 2.563 20 0 DFADRP COc1cc(C[NH2+]CCN2CCCC2)cc(C(F)(F)F)c1 ZINC000623340089 399366611 /nfs/dbraw/zinc/36/66/11/399366611.db2.gz XNCYGNYWMCYKMT-UHFFFAOYSA-N 2 0 302.340 2.899 20 0 DFADRP COc1ccc(C[NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)cc1OC1CC1 ZINC000623356475 399370870 /nfs/dbraw/zinc/37/08/70/399370870.db2.gz SELGQVUGPCYMLT-OAHLLOKOSA-N 2 0 316.445 2.810 20 0 DFADRP COc1ccc(C[NH2+]CC2CC[NH+](C)CC2)c(Cl)c1OC ZINC000106367142 194202094 /nfs/dbraw/zinc/20/20/94/194202094.db2.gz LTJHZVNFFQNMRN-UHFFFAOYSA-N 2 0 312.841 2.789 20 0 DFADRP COc1ccc(C[NH2+]C[C@@H]2CCC[N@H+](C)C2)cc1OC1CC1 ZINC000623410874 399382408 /nfs/dbraw/zinc/38/24/08/399382408.db2.gz JMWGDMOQEWJTMD-HNNXBMFYSA-N 2 0 304.434 2.668 20 0 DFADRP Cc1ccc(C[NH+](C)C)cc1NC(=O)[C@@H](C1CC1)[NH+]1CCCC1 ZINC000273750558 211027585 /nfs/dbraw/zinc/02/75/85/211027585.db2.gz TWRLZCCZPRZGIK-GOSISDBHSA-N 2 0 315.461 2.870 20 0 DFADRP COC(=O)c1csc([C@@H](C)[NH2+][C@H]2CC[NH2+]CC(C)(C)C2)c1 ZINC000602020557 399385818 /nfs/dbraw/zinc/38/58/18/399385818.db2.gz MHCYDIQXAFIECE-YPMHNXCESA-N 2 0 310.463 2.964 20 0 DFADRP COC(=O)C[C@@H]1CC[C@H]([NH2+]CC[C@H]([NH3+])Cc2ccccc2)[C@@H]1C ZINC000602024062 399386673 /nfs/dbraw/zinc/38/66/73/399386673.db2.gz ZOXRSODMAORCMU-UBDQQSCGSA-N 2 0 318.461 2.514 20 0 DFADRP CN(CC[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1)Cc1ccc(F)cc1 ZINC000623440269 399390073 /nfs/dbraw/zinc/39/00/73/399390073.db2.gz PRXNJBUOUHGCJS-KRWDZBQOSA-N 2 0 307.457 2.720 20 0 DFADRP Cc1noc(C2CCC([NH2+][C@@H]3CC[N@@H+](C)C(C)(C)C3)CC2)n1 ZINC000623442379 399391215 /nfs/dbraw/zinc/39/12/15/399391215.db2.gz MPLNLDMJCYUTAL-YMAMQOFZSA-N 2 0 306.454 2.867 20 0 DFADRP C[N@@H+]1CC[C@H]([NH2+][C@H]2CCN(c3ncccc3Cl)C2)CC1(C)C ZINC000623445943 399391840 /nfs/dbraw/zinc/39/18/40/399391840.db2.gz LADOBIVKJOTLOG-KBPBESRZSA-N 2 0 322.884 2.776 20 0 DFADRP C[C@@H]1C[C@@H](C)[N@H+](Cc2ccc(-c3cnn(C)c3)s2)C[C@@H]1C[NH3+] ZINC000422559485 296312441 /nfs/dbraw/zinc/31/24/41/296312441.db2.gz DFSGHGFRVRBCBV-MCIONIFRSA-N 2 0 318.490 2.954 20 0 DFADRP C[C@@H]1C[C@@H](C)[N@H+](Cc2ccc(-c3cnn(C)c3)s2)C[C@H]1C[NH3+] ZINC000422559486 296312265 /nfs/dbraw/zinc/31/22/65/296312265.db2.gz DFSGHGFRVRBCBV-MGPQQGTHSA-N 2 0 318.490 2.954 20 0 DFADRP C[NH+](C)C1CCC([NH2+][C@@H]2CCN[C@@H](c3ccccc3)C2)CC1 ZINC000422558830 296312286 /nfs/dbraw/zinc/31/22/86/296312286.db2.gz ZUDZIMOILJBJFB-JWHDQAAXSA-N 2 0 301.478 2.942 20 0 DFADRP CCOc1c(Cl)cc(C[NH2+]C(C)(C)CC[NH3+])cc1OC ZINC000422559613 296312359 /nfs/dbraw/zinc/31/23/59/296312359.db2.gz DLHKKZDQEQGWMP-UHFFFAOYSA-N 2 0 300.830 2.964 20 0 DFADRP COc1ccc(C[C@H](C)C[NH+]2CCC3(CC[NH2+]3)CC2)cc1F ZINC000422560939 296312691 /nfs/dbraw/zinc/31/26/91/296312691.db2.gz IHIZZHXSGQYGTI-AWEZNQCLSA-N 2 0 306.425 2.841 20 0 DFADRP COCCOc1cccc(C[N@@H+]2C[C@H](C[NH3+])[C@@H](C)C[C@@H]2C)c1 ZINC000422560477 296312705 /nfs/dbraw/zinc/31/27/05/296312705.db2.gz GWSBQAVZTIRJTN-ZOBUZTSGSA-N 2 0 306.450 2.517 20 0 DFADRP CC(=O)N1CC[C@@H]([NH2+][C@H]2CC[N@@H+](C)C(C)(C)C2)c2ccccc21 ZINC000623474923 399397570 /nfs/dbraw/zinc/39/75/70/399397570.db2.gz VNXKPGXFQYQQBG-DOTOQJQBSA-N 2 0 315.461 2.947 20 0 DFADRP COc1ccc([C@H](CCO)[NH2+][C@H]2CC[N@H+](C)C(C)(C)C2)cc1 ZINC000623476853 399397617 /nfs/dbraw/zinc/39/76/17/399397617.db2.gz RHXNACRXLSQCCZ-RDJZCZTQSA-N 2 0 306.450 2.581 20 0 DFADRP C[C@H]([NH3+])C1CC[NH+](CCC(=O)Nc2cccc(Cl)c2)CC1 ZINC000110649325 194345873 /nfs/dbraw/zinc/34/58/73/194345873.db2.gz VXNIYRADVYYYMN-LBPRGKRZSA-N 2 0 309.841 2.728 20 0 DFADRP CC(=O)N1CC[C@H]([NH2+][C@@H]2CC[N@@H+](C)C(C)(C)C2)c2ccccc21 ZINC000623474926 399397326 /nfs/dbraw/zinc/39/73/26/399397326.db2.gz VNXKPGXFQYQQBG-WBVHZDCISA-N 2 0 315.461 2.947 20 0 DFADRP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1[NH2+]Cc1ccccc1OC1CCCC1 ZINC000422697654 296318108 /nfs/dbraw/zinc/31/81/08/296318108.db2.gz VMKDETCGOPHJMH-WBAXXEDZSA-N 2 0 318.461 2.850 20 0 DFADRP CC[C@H](C)[C@H](O)C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000268922000 207089850 /nfs/dbraw/zinc/08/98/50/207089850.db2.gz XBJSOXOPGOYOCB-PBWTXFEYSA-N 2 0 304.478 2.894 20 0 DFADRP C[C@H]([NH3+])[C@H]1COCC[C@@H]1[NH2+]CC1(c2ccc(Cl)cc2)CC1 ZINC000422705984 296319069 /nfs/dbraw/zinc/31/90/69/296319069.db2.gz SLWNOVZPKCOMIC-MAZHCROVSA-N 2 0 308.853 2.714 20 0 DFADRP COc1cccc2c1CC[C@@H]2[NH2+]CCCC[N@@H+]1CCC[C@H]1CO ZINC000268925745 207092277 /nfs/dbraw/zinc/09/22/77/207092277.db2.gz PTWLLOLPVNDUOR-YJBOKZPZSA-N 2 0 318.461 2.509 20 0 DFADRP C[C@H]1CC[NH2+]CC[C@@H]1[NH2+]C1CCN(Cc2ccc(F)cc2)CC1 ZINC000422700495 296318632 /nfs/dbraw/zinc/31/86/32/296318632.db2.gz CAVIFFBWVHRCNF-KXBFYZLASA-N 2 0 319.468 2.768 20 0 DFADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]CC(C)(C)N1CCc2ccccc2C1 ZINC000422704174 296318842 /nfs/dbraw/zinc/31/88/42/296318842.db2.gz OTGDEBSMJCJVLF-APWZRJJASA-N 2 0 315.505 2.801 20 0 DFADRP C[C@@H](NC[C@H](C)[N@@H+]1CCc2ccccc2C1)[C@@H]1CCCC[NH2+]1 ZINC000422708631 296319209 /nfs/dbraw/zinc/31/92/09/296319209.db2.gz CCMGJKVZFVYIRI-FCEWJHQRSA-N 2 0 301.478 2.553 20 0 DFADRP C[C@@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]CCCCNc1ccccn1 ZINC000422706358 296319232 /nfs/dbraw/zinc/31/92/32/296319232.db2.gz UFJCMYOGOAICHP-SJLPKXTDSA-N 2 0 312.461 2.822 20 0 DFADRP C[C@@H](NC[C@H](C)[N@@H+]1CCc2ccccc2C1)[C@H]1CCCC[NH2+]1 ZINC000422708632 296319373 /nfs/dbraw/zinc/31/93/73/296319373.db2.gz CCMGJKVZFVYIRI-FRQCXROJSA-N 2 0 301.478 2.553 20 0 DFADRP C[C@@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]CCCCNc1ccccn1 ZINC000422706355 296319383 /nfs/dbraw/zinc/31/93/83/296319383.db2.gz UFJCMYOGOAICHP-AEFFLSMTSA-N 2 0 312.461 2.822 20 0 DFADRP CCOC(=O)C1([C@H](C)[NH2+]C[C@@H]2CCCC[C@H]2C)CC[NH2+]CC1 ZINC000422706979 296319469 /nfs/dbraw/zinc/31/94/69/296319469.db2.gz VNDBVLPVBXLHJU-PMPSAXMXSA-N 2 0 310.482 2.724 20 0 DFADRP C[N@@H+]1CCC[C@@H]2C[NH+](CCc3ccc4c(c3)CCO4)CC[C@@H]21 ZINC000268940852 207106404 /nfs/dbraw/zinc/10/64/04/207106404.db2.gz AGRSXTSRTLDIFH-MSOLQXFVSA-N 2 0 300.446 2.580 20 0 DFADRP COc1ccc(CCC[NH2+][C@@H]2CCCCC[C@@H]2[NH3+])cc1OC ZINC000422719012 296321089 /nfs/dbraw/zinc/32/10/89/296321089.db2.gz LSTWNAWIHPDQFQ-JKSUJKDBSA-N 2 0 306.450 2.886 20 0 DFADRP C[N@@H+]1CC[C@@H]([NH2+][C@@H]2CCN(c3ccccc3F)C2)CC1(C)C ZINC000623531164 399409780 /nfs/dbraw/zinc/40/97/80/399409780.db2.gz KXGFPCXENGNOIL-HUUCEWRRSA-N 2 0 305.441 2.867 20 0 DFADRP CSc1ccc([C@@H](C)[NH2+]CC2(O)CC[NH+](C)CC2)cc1F ZINC000268964932 207128774 /nfs/dbraw/zinc/12/87/74/207128774.db2.gz GSWSJYVBNJOSCQ-GFCCVEGCSA-N 2 0 312.454 2.655 20 0 DFADRP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]C1CCN(Cc2ccc(F)c(F)c2)CC1 ZINC000422721053 296321250 /nfs/dbraw/zinc/32/12/50/296321250.db2.gz NHQUZFJFZSQZDH-KSSFIOAISA-N 2 0 323.431 2.646 20 0 DFADRP C[C@H]([NH2+]Cc1ccc(NC(=O)c2ccco2)cc1)[C@H]1CC[NH2+]C1 ZINC000422720069 296321364 /nfs/dbraw/zinc/32/13/64/296321364.db2.gz RZGRYAOBLRDMOT-ZFWWWQNUSA-N 2 0 313.401 2.620 20 0 DFADRP C[C@H]([NH2+]Cc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1)[C@@H]1C[C@H]1C1CC1 ZINC000623563632 399416964 /nfs/dbraw/zinc/41/69/64/399416964.db2.gz FFKFCFCJEDZTPX-DSYPUSFNSA-N 2 0 314.473 2.777 20 0 DFADRP C[C@H]([NH2+]CC1CC[NH+](C2CCOCC2)CC1)[C@@H]1C[C@H]1C1CC1 ZINC000623562611 399417191 /nfs/dbraw/zinc/41/71/91/399417191.db2.gz WUKXSZGTMSSNPF-JVPBZIDWSA-N 2 0 306.494 2.902 20 0 DFADRP C[C@@H]([NH3+])C[C@H](C)[NH2+]C1CCN(Cc2ccc(F)c(F)c2)CC1 ZINC000422725314 296321996 /nfs/dbraw/zinc/32/19/96/296321996.db2.gz XWWYRGQZPGCXKS-OLZOCXBDSA-N 2 0 311.420 2.645 20 0 DFADRP CC(C)CC(=O)Nc1cccc(C[NH2+][C@@H](C)[C@@H]2CC[NH2+]C2)c1 ZINC000422726068 296322272 /nfs/dbraw/zinc/32/22/72/296322272.db2.gz ZEURZLCMUKYGCF-GOEBONIOSA-N 2 0 303.450 2.759 20 0 DFADRP CCc1ccc([C@H](C[NH2+][C@H]2CCCC[C@H]2C[NH3+])N(C)C)cc1 ZINC000422729468 296322903 /nfs/dbraw/zinc/32/29/03/296322903.db2.gz IDWGLGIKUQBFEL-FHWLQOOXSA-N 2 0 303.494 2.959 20 0 DFADRP CC[NH+](CC)CCCN[C@H](c1ccc(OC)cc1)[C@H]1CCC[NH2+]1 ZINC000422728258 296322529 /nfs/dbraw/zinc/32/25/29/296322529.db2.gz IXWOMOTWQYSQAE-RTBURBONSA-N 2 0 319.493 2.810 20 0 DFADRP COc1cccc([C@@H](C[NH2+][C@@H]2CC[N@H+](C)C(C)(C)C2)OC)c1 ZINC000623587416 399422835 /nfs/dbraw/zinc/42/28/35/399422835.db2.gz PZVCPENPSMDNPJ-NVXWUHKLSA-N 2 0 306.450 2.845 20 0 DFADRP C[C@@H](CCC[NH3+])[NH2+]Cc1cccc(NC(=O)c2ccncc2)c1 ZINC000422726953 296322641 /nfs/dbraw/zinc/32/26/41/296322641.db2.gz AYQSPTNIHHGATD-AWEZNQCLSA-N 2 0 312.417 2.551 20 0 DFADRP C[N@@H+]1CC[C@@H]([NH2+]C[C@@]2(C)COc3ccccc3O2)CC1(C)C ZINC000623594742 399423829 /nfs/dbraw/zinc/42/38/29/399423829.db2.gz HIEFQZQQTYJQIT-KDOFPFPSSA-N 2 0 304.434 2.679 20 0 DFADRP C[N@@H+]1CC[C@@H]([NH2+]C[C@]2(C)COc3ccccc3O2)CC1(C)C ZINC000623594744 399423853 /nfs/dbraw/zinc/42/38/53/399423853.db2.gz HIEFQZQQTYJQIT-RDTXWAMCSA-N 2 0 304.434 2.679 20 0 DFADRP C[C@H](C[C@H](C)[NH3+])[NH2+]Cc1cccc(NC(=O)c2ccncc2)c1 ZINC000422729696 296322779 /nfs/dbraw/zinc/32/27/79/296322779.db2.gz IJYUWZYYXFCGMT-UONOGXRCSA-N 2 0 312.417 2.549 20 0 DFADRP C[C@@H]([NH2+]CCCC[NH+](C)C)c1ccc(N2CCOC2=O)cc1 ZINC000268997237 207154663 /nfs/dbraw/zinc/15/46/63/207154663.db2.gz KXCQVFRYIXEMCG-CQSZACIVSA-N 2 0 305.422 2.636 20 0 DFADRP CCCC1CCC(C[NH2+]CCCN2CCC[C@H]2C(N)=O)CC1 ZINC000623618948 399428596 /nfs/dbraw/zinc/42/85/96/399428596.db2.gz LMXMLXQNKJZVAZ-JCYILVPMSA-N 2 0 309.498 2.522 20 0 DFADRP CC[NH+](CC)CCCN[C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422732425 296323455 /nfs/dbraw/zinc/32/34/55/296323455.db2.gz PULIBTGBJWZEKA-PKOBYXMFSA-N 2 0 317.477 2.564 20 0 DFADRP C[C@@H](C[NH2+]CCCN1CCC[C@H]1C(N)=O)CC1CCCCC1 ZINC000623619093 399428658 /nfs/dbraw/zinc/42/86/58/399428658.db2.gz RMKVOPGAWLICGE-WBVHZDCISA-N 2 0 309.498 2.522 20 0 DFADRP C[NH+]1CCC(C[NH2+][C@@H](c2ccc(F)cc2)c2cnccn2)CC1 ZINC000346554609 284891149 /nfs/dbraw/zinc/89/11/49/284891149.db2.gz IVIDFNCVVZSYSM-SFHVURJKSA-N 2 0 314.408 2.637 20 0 DFADRP CCO[C@@H](CC[NH+](C)C)C[NH2+][C@H](C)c1ccc2c(c1)COC2 ZINC000269042857 207190627 /nfs/dbraw/zinc/19/06/27/207190627.db2.gz GZIOHKLHSKEHEJ-KDOFPFPSSA-N 2 0 306.450 2.724 20 0 DFADRP COc1ccc2c(c1)C[C@@H]([NH2+]C[C@H]1CCCC[N@H+](C)C1)CC2 ZINC000623657688 399438183 /nfs/dbraw/zinc/43/81/83/399438183.db2.gz WPCHTLDFWBTIOH-QAPCUYQASA-N 2 0 302.462 2.874 20 0 DFADRP CC[NH+](CC)CC1CC[NH+](Cc2cc(C)c(C(=O)OC)[nH]2)CC1 ZINC000602439825 399445361 /nfs/dbraw/zinc/44/53/61/399445361.db2.gz LHYZBZADQFBKHS-UHFFFAOYSA-N 2 0 321.465 2.664 20 0 DFADRP CCC[N@H+](CC)Cc1ccc(C(=O)N[C@@H]2CCCC[C@H]2[NH3+])cc1 ZINC000269137033 207269068 /nfs/dbraw/zinc/26/90/68/207269068.db2.gz UCQONDQPQIWQQF-QZTJIDSGSA-N 2 0 317.477 2.918 20 0 DFADRP C[N@@H+]1CCC[C@@H]1CC[NH+]1CCC([C@@H](O)c2ccccc2)CC1 ZINC000269138757 207270760 /nfs/dbraw/zinc/27/07/60/207270760.db2.gz YQOYSQAYSABZDX-MOPGFXCFSA-N 2 0 302.462 2.916 20 0 DFADRP CCOC(=O)c1ccc(C[NH2+]CCCC[NH+]2CCC(C)CC2)[nH]1 ZINC000602514425 399465881 /nfs/dbraw/zinc/46/58/81/399465881.db2.gz MSTONRBRHHRTDP-UHFFFAOYSA-N 2 0 321.465 2.793 20 0 DFADRP C[NH+](C)Cc1ccsc1C(=O)NCC[NH2+]C1CCCCCC1 ZINC000269190430 207311145 /nfs/dbraw/zinc/31/11/45/207311145.db2.gz HTRQSOVOXLHUON-UHFFFAOYSA-N 2 0 323.506 2.852 20 0 DFADRP CO[C@H]1C[C@H]([NH2+][C@@H]2CCN(Cc3ccccc3)C3(CC3)C2)C1 ZINC000623809249 399470153 /nfs/dbraw/zinc/47/01/53/399470153.db2.gz XULWGRWSFFEPGY-KZNAEPCWSA-N 2 0 300.446 2.951 20 0 DFADRP C[NH+](C)Cc1ccccc1C(=O)NCC1([NH3+])CCCCCC1 ZINC000422741608 296324409 /nfs/dbraw/zinc/32/44/09/296324409.db2.gz PYJQMLQDGRGCCW-UHFFFAOYSA-N 2 0 303.450 2.530 20 0 DFADRP COC[C@@H](CCC[NH3+])[NH2+]Cc1cc(C)cc2c(C)c(C)[nH]c21 ZINC000422735508 296323625 /nfs/dbraw/zinc/32/36/25/296323625.db2.gz DZVNZVUAEZSTLQ-MRXNPFEDSA-N 2 0 303.450 2.937 20 0 DFADRP [NH3+]C[C@@H]1CCCC[C@@H]1NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000422735329 296323855 /nfs/dbraw/zinc/32/38/55/296323855.db2.gz VZCJEZSZMRZQDM-HRCADAONSA-N 2 0 307.507 2.992 20 0 DFADRP C[C@H]([NH3+])[C@H]1COCC[C@H]1[NH2+]CCc1c(Cl)cccc1Cl ZINC000422738499 296324124 /nfs/dbraw/zinc/32/41/24/296324124.db2.gz JMJJPTRFXHNUOD-JVLSTEMRSA-N 2 0 317.260 2.878 20 0 DFADRP Cc1ncsc1C[NH2+][C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422742088 296324339 /nfs/dbraw/zinc/32/43/39/296324339.db2.gz PJFVMNUHBRZYNT-WMLDXEAASA-N 2 0 315.442 2.797 20 0 DFADRP c1cn(-c2cccc(C[NH2+][C@@H]3CCC[C@@H]3[C@@H]3CCC[NH2+]3)c2)cn1 ZINC000422742393 296324530 /nfs/dbraw/zinc/32/45/30/296324530.db2.gz GFSCSTADGDJRTN-CEXWTWQISA-N 2 0 310.445 2.883 20 0 DFADRP CN(C)[C@H](C[NH2+][C@H]1CCCC[C@@H]1C[NH3+])c1c(F)cccc1F ZINC000422742403 296324801 /nfs/dbraw/zinc/32/48/01/296324801.db2.gz GGGNDRYZWCULLK-UHOFOFEASA-N 2 0 311.420 2.675 20 0 DFADRP [NH3+][C@@H]1CCC[C@@H]1[NH2+]CC1(c2cccc(Br)c2)CC1 ZINC000422743752 296324831 /nfs/dbraw/zinc/32/48/31/296324831.db2.gz JGSDDLDABFTFNL-KGLIPLIRSA-N 2 0 309.251 2.950 20 0 DFADRP CCC[NH+]1CCC(C[NH2+][C@@H](Cc2ccccc2)[C@@H](C)[NH3+])CC1 ZINC000422746721 296325626 /nfs/dbraw/zinc/32/56/26/296325626.db2.gz XBAWSEZKNDABCD-APWZRJJASA-N 3 0 303.494 2.657 20 0 DFADRP CC[C@H](N[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1)[C@@H]1CCC[NH2+]1 ZINC000422745659 296325299 /nfs/dbraw/zinc/32/52/99/296325299.db2.gz VKMFMCAWJTWHQW-BVBHFADKSA-N 2 0 301.478 2.942 20 0 DFADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]C[C@@H]1CCCN1Cc1ccccc1 ZINC000422744903 296325304 /nfs/dbraw/zinc/32/53/04/296325304.db2.gz UIUABUGEFUMQGR-NEWSRXKRSA-N 2 0 301.478 2.629 20 0 DFADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+][C@@H]1CCCN(c2cccc(F)c2)C1 ZINC000422750579 296326211 /nfs/dbraw/zinc/32/62/11/296326211.db2.gz AAYXPSMRCALANW-QGPMSJSTSA-N 2 0 305.441 2.772 20 0 DFADRP C[C@H]1CC[NH2+]CC[C@H]1[NH2+]CC1(c2ccc(F)cc2)CCOCC1 ZINC000422751974 296326519 /nfs/dbraw/zinc/32/65/19/296326519.db2.gz DJUYKKUMJZPZRA-MAUKXSAKSA-N 2 0 320.452 2.852 20 0 DFADRP COc1cccc(N2CCC[C@@H]([NH2+]C3CCC(C[NH3+])CC3)C2)c1 ZINC000422750998 296326528 /nfs/dbraw/zinc/32/65/28/296326528.db2.gz ATSKKCLBUSAWLJ-OFLPRAFFSA-N 2 0 317.477 2.771 20 0 DFADRP C[C@H]([NH3+])[C@H](Cc1ccccc1)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000422751892 296326640 /nfs/dbraw/zinc/32/66/40/296326640.db2.gz DEPQUAGYJBMVEF-YYWHXJBOSA-N 2 0 323.484 2.809 20 0 DFADRP C[C@H]([NH3+])[C@H](Cc1ccccc1)NC[C@H](c1ccccc1)[NH+](C)C ZINC000422753591 296327027 /nfs/dbraw/zinc/32/70/27/296327027.db2.gz IRSUIOXNDIKSJZ-FFZOFVMBSA-N 2 0 311.473 2.837 20 0 DFADRP COc1cccc([C@@H](CN[C@@H]2CCC[NH2+]CC2)[NH+]2CCCC2)c1 ZINC000422752742 296327043 /nfs/dbraw/zinc/32/70/43/296327043.db2.gz FIEFGXWSQPXJOE-IEBWSBKVSA-N 2 0 317.477 2.564 20 0 DFADRP C[C@H](CCCC[NH3+])[NH2+]CC1CCN(C(=O)c2ccccc2)CC1 ZINC000422758402 296328111 /nfs/dbraw/zinc/32/81/11/296328111.db2.gz IYWZKOCLHWDMPS-MRXNPFEDSA-N 2 0 317.477 2.646 20 0 DFADRP c1ccc2c(c1)O[C@]1(CC[NH2+]C1)C[C@@H]2[NH2+]CCOC1CCCC1 ZINC000422759843 296328215 /nfs/dbraw/zinc/32/82/15/296328215.db2.gz KGAYYQYPACQDLS-PKOBYXMFSA-N 2 0 316.445 2.791 20 0 DFADRP CC[C@@H]([NH2+]CCCn1c(C)nc2ccccc21)[C@@H]1CCC[NH2+]1 ZINC000422761655 296328311 /nfs/dbraw/zinc/32/83/11/296328311.db2.gz RKIJGXHADIMCAV-CVEARBPZSA-N 2 0 300.450 2.855 20 0 DFADRP Clc1cccc(CC[NH2+][C@@H]2CCOC[C@@H]2[C@H]2CCC[NH2+]2)c1 ZINC000422763297 296328949 /nfs/dbraw/zinc/32/89/49/296328949.db2.gz NDWGGLYIIGNCLX-BRWVUGGUSA-N 2 0 308.853 2.629 20 0 DFADRP C[C@H]([NH3+])C[C@H](C)[NH2+][C@@H]1CCOc2ccc(Br)cc21 ZINC000422761075 296328591 /nfs/dbraw/zinc/32/85/91/296328591.db2.gz MIXMVSOKZBZXKY-OUJBWJOFSA-N 2 0 313.239 2.988 20 0 DFADRP CC[C@@H]([NH2+]CCCN1CC[NH+](C)CC1)c1cc(C)ccc1C ZINC000623853726 399479916 /nfs/dbraw/zinc/47/99/16/399479916.db2.gz FPNGWBFRKIEWBA-LJQANCHMSA-N 2 0 303.494 2.982 20 0 DFADRP CC[NH+]1CCN(CCCC[NH2+][C@H](C)c2nc(C)cs2)CC1 ZINC000623861885 399482066 /nfs/dbraw/zinc/48/20/66/399482066.db2.gz FSCUPIXPOVRJDK-OAHLLOKOSA-N 2 0 310.511 2.520 20 0 DFADRP Fc1cccc(N2CCC[C@@H]([NH2+]C3C[C@H]4CC[C@@H](C3)[NH2+]4)C2)c1 ZINC000422767076 296329772 /nfs/dbraw/zinc/32/97/72/296329772.db2.gz SGUMHBRQDRDIDZ-LVYZTWJOSA-N 2 0 303.425 2.667 20 0 DFADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]C[C@@H](c1ccccc1Cl)N(C)C ZINC000422769154 296330085 /nfs/dbraw/zinc/33/00/85/296330085.db2.gz UQSJKTYIOYMQAH-XYPHTWIQSA-N 2 0 309.885 2.920 20 0 DFADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]C[C@H](CCO)c1ccccc1 ZINC000422775244 296331017 /nfs/dbraw/zinc/33/10/17/296331017.db2.gz AURSVGJZBCBZHC-YOEHRIQHSA-N 2 0 313.445 2.666 20 0 DFADRP C[C@@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]CCn1cnc2ccccc21 ZINC000422772840 296330732 /nfs/dbraw/zinc/33/07/32/296330732.db2.gz ZQMRWHUBDQWGHJ-QAPCUYQASA-N 2 0 308.429 2.584 20 0 DFADRP C[C@H]([NH2+]Cc1ccccc1OCC[NH+](C)C)[C@H]1CCCCO1 ZINC000623879534 399485846 /nfs/dbraw/zinc/48/58/46/399485846.db2.gz JLKBQFOAEBMZNN-DOTOQJQBSA-N 2 0 306.450 2.674 20 0 DFADRP [NH3+][C@H]1CCC[C@@H]1[NH2+]CC1(c2ccccc2Br)CC1 ZINC000422781421 296331950 /nfs/dbraw/zinc/33/19/50/296331950.db2.gz KMSQFAOSTHNBSV-KBPBESRZSA-N 2 0 309.251 2.950 20 0 DFADRP CN(C)C(=O)c1cccc(CC[NH2+][C@H]2C[C@H]([NH3+])c3ccccc32)c1 ZINC000422779484 296331351 /nfs/dbraw/zinc/33/13/51/296331351.db2.gz JASVOHCKLVSCKR-OALUTQOASA-N 2 0 323.440 2.665 20 0 DFADRP CS[C@H](C[NH2+]C1CC[NH+](CC(C)(C)O)CC1)C(C)(C)C ZINC000602612105 399489970 /nfs/dbraw/zinc/48/99/70/399489970.db2.gz ZFYFJMCLLOGDPE-CQSZACIVSA-N 2 0 302.528 2.589 20 0 DFADRP C[C@@H](CCC[NH3+])[NH2+][C@H]1CCCN(c2ccccc2Cl)C1=O ZINC000422783607 296332147 /nfs/dbraw/zinc/33/21/47/296332147.db2.gz OMGGGBIAKYAYLS-JSGCOSHPSA-N 2 0 309.841 2.552 20 0 DFADRP C[C@@H]([NH2+]CC1CCN(c2cc[nH+]cc2)CC1)[C@@H]1CCCCO1 ZINC000623907700 399491318 /nfs/dbraw/zinc/49/13/18/399491318.db2.gz BDLNJRNRLYNRPB-QAPCUYQASA-N 2 0 303.450 2.845 20 0 DFADRP CC[NH+]1CCC(CC[NH2+][C@H](Cc2ccccc2)[C@H](C)[NH3+])CC1 ZINC000422786031 296332627 /nfs/dbraw/zinc/33/26/27/296332627.db2.gz NZVZSIFBEQAMIF-QFBILLFUSA-N 3 0 303.494 2.657 20 0 DFADRP C[C@H](CCCC[NH3+])[NH2+]C[C@@H](CO)Cc1c(F)cccc1Cl ZINC000422789155 296332844 /nfs/dbraw/zinc/33/28/44/296332844.db2.gz BBVUYOYXXWNSAO-OLZOCXBDSA-N 2 0 316.848 2.737 20 0 DFADRP [NH3+]C[C@H]1CCCC[C@H]1[NH2+]CCNc1ncc(Cl)cc1Cl ZINC000422789596 296333283 /nfs/dbraw/zinc/33/32/83/296333283.db2.gz UKCVWBVERNZZCE-ZWNOBZJWSA-N 2 0 317.264 2.907 20 0 DFADRP CCOC(=O)C1([C@@H](C)[NH2+]Cc2ccc(F)c(C)c2)CC[NH2+]CC1 ZINC000422792319 296333641 /nfs/dbraw/zinc/33/36/41/296333641.db2.gz DIRAIBAGOSVMRF-CQSZACIVSA-N 2 0 322.424 2.545 20 0 DFADRP CCC[C@H](C(=O)NC[C@H]([NH3+])c1ccc(C(C)C)cc1)[NH+](C)C ZINC000422791832 296333747 /nfs/dbraw/zinc/33/37/47/296333747.db2.gz DIHREUNQBMQPDK-DLBZAZTESA-N 2 0 305.466 2.656 20 0 DFADRP C[C@H]([NH3+])[C@@H](Cc1ccccc1)NCCC[NH+]1CCC(C)CC1 ZINC000422791582 296333822 /nfs/dbraw/zinc/33/38/22/296333822.db2.gz WFRBSPKTTDKTCS-PKOBYXMFSA-N 2 0 303.494 2.657 20 0 DFADRP CCc1ccc([C@@H](CNC(=O)CCCCCC[NH3+])[NH+](C)C)cc1 ZINC000269245467 207379061 /nfs/dbraw/zinc/37/90/61/207379061.db2.gz UDSVZPQZJBMFDZ-GOSISDBHSA-N 2 0 319.493 2.877 20 0 DFADRP Cc1ccc(O[C@H](C)C[NH2+][C@@H]2CCOC[C@H]2[C@@H]2CCC[NH2+]2)cc1 ZINC000422795503 296334518 /nfs/dbraw/zinc/33/45/18/296334518.db2.gz VTUXXPDUBPMUSN-XGXHKWSGSA-N 2 0 318.461 2.509 20 0 DFADRP C[C@H]([NH3+])[C@H](Cc1ccccc1)N[C@@H]1CC[N@H+](CC2CCCC2)C1 ZINC000422796154 296334604 /nfs/dbraw/zinc/33/46/04/296334604.db2.gz IXGZIYLOQREHOL-DBVUQKKJSA-N 2 0 315.505 2.799 20 0 DFADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]C[C@@H](C)N1CCC(C)CC1 ZINC000422794682 296334113 /nfs/dbraw/zinc/33/41/13/296334113.db2.gz ZDUWXHUURMDRJD-HUUCEWRRSA-N 2 0 304.482 2.620 20 0 DFADRP Cc1nc(-c2ccc(CC[NH2+][C@H](C)C3C[NH2+]C3)s2)cs1 ZINC000422794866 296334217 /nfs/dbraw/zinc/33/42/17/296334217.db2.gz HCEYLYXMKLIMFU-SNVBAGLBSA-N 2 0 307.488 2.920 20 0 DFADRP C[C@H]([NH3+])[C@H]1COCC[C@H]1[NH2+]CC1CCC(C(F)(F)F)CC1 ZINC000422802450 296335533 /nfs/dbraw/zinc/33/55/33/296335533.db2.gz BMMASVNHRUGLEM-YOMYCBHVSA-N 2 0 308.388 2.697 20 0 DFADRP CC[C@@H]1Oc2cc([C@H](C)[NH2+][C@H](C)CCC[NH3+])ccc2NC1=O ZINC000422801695 296335582 /nfs/dbraw/zinc/33/55/82/296335582.db2.gz ADERHSMXDWTRNC-XUJVJEKNSA-N 2 0 305.422 2.574 20 0 DFADRP CC[NH+](CC)[C@H](CN[C@H]1CCC[C@@H]1[NH3+])c1cccc(OC)c1 ZINC000422797594 296334933 /nfs/dbraw/zinc/33/49/33/296334933.db2.gz NNJCARYBBNTVES-OKZBNKHCSA-N 2 0 305.466 2.548 20 0 DFADRP CC[NH+](CC)[C@H](CN[C@@H]1CCC[C@H]1[NH3+])c1cccc(OC)c1 ZINC000422797593 296334965 /nfs/dbraw/zinc/33/49/65/296334965.db2.gz NNJCARYBBNTVES-KZNAEPCWSA-N 2 0 305.466 2.548 20 0 DFADRP CCOC(=O)C1([C@H](C)[NH2+]Cc2ccc(C)c(F)c2)CC[NH2+]CC1 ZINC000422800145 296335334 /nfs/dbraw/zinc/33/53/34/296335334.db2.gz ZGGYRXTVEBUVKX-AWEZNQCLSA-N 2 0 322.424 2.545 20 0 DFADRP c1ccc2c(c1)CCN(CC[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1)C2 ZINC000422802913 296335882 /nfs/dbraw/zinc/33/58/82/296335882.db2.gz HWWYUDYHIITIGX-XUVXKRRUSA-N 2 0 313.489 2.555 20 0 DFADRP c1ccc2c(c1)CCC[C@@H]2C[NH2+][C@@H]1CCOC[C@H]1[C@H]1CCC[NH2+]1 ZINC000422805325 296336144 /nfs/dbraw/zinc/33/61/44/296336144.db2.gz LXFWBFZBUQAWRI-GSEOLPGOSA-N 2 0 314.473 2.853 20 0 DFADRP C[C@@H]([NH3+])[C@@H](Cc1ccccc1)NCc1cccc(C[NH+](C)C)c1 ZINC000422809198 296336904 /nfs/dbraw/zinc/33/69/04/296336904.db2.gz POXRMLIKEYNQHW-OXQOHEQNSA-N 2 0 311.473 2.796 20 0 DFADRP C[C@H]([NH3+])[C@@H](Cc1ccccc1)NCc1cccc(C[NH+](C)C)c1 ZINC000422809197 296337053 /nfs/dbraw/zinc/33/70/53/296337053.db2.gz POXRMLIKEYNQHW-OXJNMPFZSA-N 2 0 311.473 2.796 20 0 DFADRP COC[C@@H](CCC[NH3+])[NH2+]CCOc1ccc2ccccc2c1 ZINC000422811205 296337143 /nfs/dbraw/zinc/33/71/43/296337143.db2.gz OSKZNKBCFCJCOE-QGZVFWFLSA-N 2 0 302.418 2.562 20 0 DFADRP c1ccc(C2(C[NH2+][C@@H]3CCOC[C@@H]3[C@H]3CCC[NH2+]3)CCC2)cc1 ZINC000422810834 296337343 /nfs/dbraw/zinc/33/73/43/296337343.db2.gz NYUBISKKGAKSIC-GUDVDZBRSA-N 2 0 314.473 2.855 20 0 DFADRP CO[C@H](C[NH2+][C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)C(C)C ZINC000422806736 296336592 /nfs/dbraw/zinc/33/65/92/296336592.db2.gz LDPJBVDHLZKCDX-JQHSSLGASA-N 2 0 304.434 2.503 20 0 DFADRP c1ccc2c(c1)O[C@]1(CC[NH2+]C1)C[C@H]2[NH2+][C@@H]1CCCSC1 ZINC000422815240 296338271 /nfs/dbraw/zinc/33/82/71/296338271.db2.gz BAZJVRSEWRAAMI-FRFSOERESA-N 2 0 304.459 2.728 20 0 DFADRP CC1CC[NH+](Cc2ccc(CN[C@H]3CCC[C@H]3[NH3+])cc2)CC1 ZINC000422810942 296337396 /nfs/dbraw/zinc/33/73/96/296337396.db2.gz VAAXREKSGHJIHR-MOPGFXCFSA-N 2 0 301.478 2.888 20 0 DFADRP CC[C@H](C[NH2+][C@@H]1CC[NH2+]CC[C@@H]1C)N1CCc2ccccc2C1 ZINC000422812574 296337489 /nfs/dbraw/zinc/33/74/89/296337489.db2.gz WOQPNNCTRBVUJF-PWIZWCRZSA-N 2 0 315.505 2.801 20 0 DFADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]C[C@@H](c1ccsc1)N(C)C ZINC000422812081 296337548 /nfs/dbraw/zinc/33/75/48/296337548.db2.gz XEKPAFDKASUGDL-PXAZEXFGSA-N 2 0 318.490 2.864 20 0 DFADRP C[C@H]1C[N@H+](CCC(=O)Nc2cccc3ccccc32)C[C@@H]1C[NH3+] ZINC000631841743 399506485 /nfs/dbraw/zinc/50/64/85/399506485.db2.gz PDSLJOBFWFVELB-HOCLYGCPSA-N 2 0 311.429 2.695 20 0 DFADRP C[C@H]([NH3+])[C@H]1COCC[C@H]1[NH2+]CC(C)(C)c1cccc(Cl)c1 ZINC000422818665 296339090 /nfs/dbraw/zinc/33/90/90/296339090.db2.gz GVPIVWOXBLPBOQ-APHBMKBZSA-N 2 0 310.869 2.960 20 0 DFADRP c1ccc2c(c1)O[C@]1(CC[NH2+]C1)C[C@@H]2[NH2+][C@H]1CCCSC1 ZINC000422815241 296338398 /nfs/dbraw/zinc/33/83/98/296338398.db2.gz BAZJVRSEWRAAMI-JLJPHGGASA-N 2 0 304.459 2.728 20 0 DFADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+][C@@H](C)c1ccc2c(c1)OCO2 ZINC000422815329 296338551 /nfs/dbraw/zinc/33/85/51/296338551.db2.gz XKHWFGFUYTWQID-RYUDHWBXSA-N 2 0 313.401 2.989 20 0 DFADRP c1nn(-c2ccccc2)cc1C[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000422818113 296338761 /nfs/dbraw/zinc/33/87/61/296338761.db2.gz FQWATCUDFSFFKW-GUDVDZBRSA-N 2 0 310.445 2.883 20 0 DFADRP COC[C@H](Cc1ccccc1)[NH2+][C@@H](C)c1ccc(C[NH3+])nc1C ZINC000422826009 296339981 /nfs/dbraw/zinc/33/99/81/296339981.db2.gz QLOCWLDVSUBHBG-YJBOKZPZSA-N 2 0 313.445 2.757 20 0 DFADRP CC[NH+](CC)[C@@H](CN[C@H](C)[C@H]1CCC[NH2+]1)Cc1ccccc1 ZINC000422828725 296340864 /nfs/dbraw/zinc/34/08/64/296340864.db2.gz GPKJUCMUMGBEJP-BHIYHBOVSA-N 2 0 303.494 2.670 20 0 DFADRP C[C@@H]1C[N@H+](Cc2ccccc2)CCCN1C[C@@H]1CCC[NH2+]C1 ZINC000347000708 285000783 /nfs/dbraw/zinc/00/07/83/285000783.db2.gz ZUWWIKSEKGRWBL-IEBWSBKVSA-N 2 0 301.478 2.582 20 0 DFADRP CC(C)CC[NH+]1CCC(C[NH2+][C@H](C)c2cnccc2N)CC1 ZINC000422830842 296341257 /nfs/dbraw/zinc/34/12/57/296341257.db2.gz DEFJOLYONUZQPR-OAHLLOKOSA-N 2 0 304.482 2.903 20 0 DFADRP CCCOc1ccc(C[NH2+][C@H]2CC[NH2+]CC[C@H]2C)cc1OC ZINC000422827020 296340445 /nfs/dbraw/zinc/34/04/45/296340445.db2.gz MLDHEMOUVJPITK-ZBFHGGJFSA-N 2 0 306.450 2.962 20 0 DFADRP c1csc(CN2CCC[C@@H](C[NH2+][C@@H]3CCC[NH2+]CC3)C2)c1 ZINC000422829926 296340694 /nfs/dbraw/zinc/34/06/94/296340694.db2.gz CHLFDGWEEMZUNL-JKSUJKDBSA-N 2 0 307.507 2.692 20 0 DFADRP C[C@@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]CCc1cn2c(n1)CCCC2 ZINC000422839064 296342302 /nfs/dbraw/zinc/34/23/02/296342302.db2.gz YZABZBGKEXZFMQ-HOTGVXAUSA-N 2 0 304.482 2.662 20 0 DFADRP C[C@@H](C[C@H]1CCCCC[NH2+]1)[NH2+]CCc1cn2c(n1)CCCC2 ZINC000422839066 296342316 /nfs/dbraw/zinc/34/23/16/296342316.db2.gz YZABZBGKEXZFMQ-JKSUJKDBSA-N 2 0 304.482 2.662 20 0 DFADRP Cc1cc(C)c([C@H](C)[N@@H+]2CC[C@H](n3cc(C[NH3+])nn3)C2)c(C)c1 ZINC000631846369 399508475 /nfs/dbraw/zinc/50/84/75/399508475.db2.gz XYULIFWSZZVCJM-RDJZCZTQSA-N 2 0 313.449 2.670 20 0 DFADRP [NH3+][C@H](CC1CCCCC1)C(=O)Nc1ccc2c(c1)C[NH2+]CC2 ZINC000422832338 296341519 /nfs/dbraw/zinc/34/15/19/296341519.db2.gz FTHJYGKKRCPXSP-QGZVFWFLSA-N 2 0 301.434 2.569 20 0 DFADRP c1csc(CC[NH2+][C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)n1 ZINC000422839589 296342482 /nfs/dbraw/zinc/34/24/82/296342482.db2.gz QTQKGDKNZSGTHX-YOEHRIQHSA-N 2 0 315.442 2.531 20 0 DFADRP Cc1ccc([C@H](CN[C@H]2C[NH2+]CC[C@@H]2C)[NH+]2CCCC2)cc1 ZINC000422835894 296341970 /nfs/dbraw/zinc/34/19/70/296341970.db2.gz ZFBUJFPQEJLEIL-WDSOQIARSA-N 2 0 301.478 2.720 20 0 DFADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000422836150 296342012 /nfs/dbraw/zinc/34/20/12/296342012.db2.gz JIZALDYEKZKJLM-QBAGFEOCSA-N 2 0 313.489 2.770 20 0 DFADRP CCO[C@@H]1C[C@H]([NH2+][C@@H]2CCOC[C@H]2[C@H]2CCC[NH2+]2)C1(CC)CC ZINC000422837788 296342135 /nfs/dbraw/zinc/34/21/35/296342135.db2.gz MUAUERGWBZCUCO-OBVSXPTNSA-N 2 0 324.509 2.717 20 0 DFADRP CN(C)c1ccc(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)cn1 ZINC000422836457 296342157 /nfs/dbraw/zinc/34/21/57/296342157.db2.gz REKLAPZQPHJBNN-YESZJQIVSA-N 2 0 302.466 2.548 20 0 DFADRP C[NH+](C)[C@@H]1CCC[C@H](N[C@@H]2CC[NH2+][C@@H](c3ccccc3)C2)C1 ZINC000422836442 296342195 /nfs/dbraw/zinc/34/21/95/296342195.db2.gz KFOKWAHVIZHHTN-WJFTUGDTSA-N 2 0 301.478 2.942 20 0 DFADRP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]Cc1ccc(NC(=O)c2cccnc2)cc1 ZINC000422843452 296343341 /nfs/dbraw/zinc/34/33/41/296343341.db2.gz IILUZTJZTHBGEZ-YJBOKZPZSA-N 2 0 324.428 2.551 20 0 DFADRP [NH3+][C@@H]1CCCCC[C@H]1NC1CC[NH+](CCc2ccccc2)CC1 ZINC000422844133 296343409 /nfs/dbraw/zinc/34/34/09/296343409.db2.gz KXKNIORKAKQINU-WOJBJXKFSA-N 2 0 315.505 2.943 20 0 DFADRP C[C@H]1CCOCC[NH+]1CCCCCC[N@H+]1CCOCC[C@@H]1C ZINC000374992367 300007364 /nfs/dbraw/zinc/00/73/64/300007364.db2.gz XKFPFCWVUXIULL-ROUUACIJSA-N 2 0 312.498 2.768 20 0 DFADRP CC[NH2+]CC1CC[NH+](Cc2cccc(OCCCOC)c2)CC1 ZINC000347021780 285008175 /nfs/dbraw/zinc/00/81/75/285008175.db2.gz NOFFRWUJJCLKJX-UHFFFAOYSA-N 2 0 320.477 2.923 20 0 DFADRP C1CCC([NH+]2CCC(N[C@H]3CCC[C@H]3[C@@H]3CCC[NH2+]3)CC2)C1 ZINC000422840901 296342608 /nfs/dbraw/zinc/34/26/08/296342608.db2.gz USXREOQUSAYDHU-FHWLQOOXSA-N 2 0 305.510 2.904 20 0 DFADRP C1CCC([NH+]2CCC(N[C@@H]3CCC[C@H]3[C@@H]3CCC[NH2+]3)CC2)C1 ZINC000422840903 296342612 /nfs/dbraw/zinc/34/26/12/296342612.db2.gz USXREOQUSAYDHU-GBESFXJTSA-N 2 0 305.510 2.904 20 0 DFADRP COc1cc2[nH]c(CCC[NH2+][C@H]3CCC[C@@H]3[NH3+])cc2c(OC)c1 ZINC000422849774 296344603 /nfs/dbraw/zinc/34/46/03/296344603.db2.gz COGZFNOQVFBINM-HOTGVXAUSA-N 2 0 317.433 2.587 20 0 DFADRP CO[C@@H]1C[C@H]([NH2+][C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)C1(C)C ZINC000422849343 296344647 /nfs/dbraw/zinc/34/46/47/296344647.db2.gz LPKWRZNKFVYHCU-NOCIGQNYSA-N 2 0 316.445 2.645 20 0 DFADRP CC(C)(C[NH2+][C@@H]1CCOC[C@@H]1[C@H]1CCC[NH2+]1)c1ccccc1F ZINC000422846393 296344029 /nfs/dbraw/zinc/34/40/29/296344029.db2.gz FJKDSWVNEAXUCH-ZTFGCOKTSA-N 2 0 320.452 2.850 20 0 DFADRP Cc1ccc(C[NH2+][C@@H]2CCOC[C@H]2[C@H](C)[NH3+])c(OCC2CC2)c1 ZINC000422866187 296346997 /nfs/dbraw/zinc/34/69/97/296346997.db2.gz QAJXJPPVIHCUCM-JCGIZDLHSA-N 2 0 318.461 2.626 20 0 DFADRP CCCCOc1ccc(C[NH2+][C@@H](C)[C@@H]2CC[NH2+]C2)cc1OC ZINC000422858109 296345850 /nfs/dbraw/zinc/34/58/50/296345850.db2.gz ILGJISVYJHYCGM-GOEBONIOSA-N 2 0 306.450 2.962 20 0 DFADRP Cc1ccc(C[NH2+][C@@H]2CCOC[C@H]2[C@@H](C)[NH3+])c(OCC2CC2)c1 ZINC000422866186 296347115 /nfs/dbraw/zinc/34/71/15/296347115.db2.gz QAJXJPPVIHCUCM-FHLIZLRMSA-N 2 0 318.461 2.626 20 0 DFADRP CC[C@H](C(=O)N[C@H]1CCCC[C@H]1C[NH3+])[N@H+](C)Cc1ccccc1 ZINC000422866064 296347172 /nfs/dbraw/zinc/34/71/72/296347172.db2.gz PPHRYZBXYHOQOG-OKZBNKHCSA-N 2 0 317.477 2.531 20 0 DFADRP CCOCCOc1cc(C)ccc1C[NH2+][C@@H]1CC[NH2+]CC[C@@H]1C ZINC000422867516 296347502 /nfs/dbraw/zinc/34/75/02/296347502.db2.gz SQHQYYJTJTUASY-FUHWJXTLSA-N 2 0 320.477 2.888 20 0 DFADRP Cc1ccc(C[NH2+][C@@H](C)CCC[NH3+])c(OC[C@H]2CCOC2)c1 ZINC000422870297 296347735 /nfs/dbraw/zinc/34/77/35/296347735.db2.gz XOUVCCIMIRYVPA-HOTGVXAUSA-N 2 0 306.450 2.627 20 0 DFADRP COc1ccc(CC[NH2+][C@H](C)CCC[NH3+])cc1OC(F)F ZINC000422878505 296349181 /nfs/dbraw/zinc/34/91/81/296349181.db2.gz KBCGFIOJMMPFEE-LLVKDONJSA-N 2 0 302.365 2.556 20 0 DFADRP CCCC(=O)Nc1ccc(C[NH2+][C@@H]2CC[NH2+]CC[C@H]2C)cc1 ZINC000422879467 296349359 /nfs/dbraw/zinc/34/93/59/296349359.db2.gz KOITUKGYGKUOCI-RHSMWYFYSA-N 2 0 303.450 2.903 20 0 DFADRP [NH3+]C[C@H]1CCCC[C@@H]1[NH2+]Cc1ccc(N2CCCCC2)nc1 ZINC000422878960 296349362 /nfs/dbraw/zinc/34/93/62/296349362.db2.gz LNKKQWBNFHYSHD-SJORKVTESA-N 2 0 302.466 2.679 20 0 DFADRP C[C@H]1C[C@H]([NH2+][C@H]2CC[NH2+]CC[C@H]2C)CN1Cc1ccccc1 ZINC000422875574 296348833 /nfs/dbraw/zinc/34/88/33/296348833.db2.gz PFRLDJJEACABJC-NEPXVJNWSA-N 2 0 301.478 2.627 20 0 DFADRP COC[C@H](CCC[NH3+])[NH2+]CC1(c2cccc(OC)c2)CCCC1 ZINC000422882860 296350125 /nfs/dbraw/zinc/35/01/25/296350125.db2.gz BFGZIHIFHZZLMM-KRWDZBQOSA-N 2 0 320.477 2.851 20 0 DFADRP Cc1ccc(Cl)cc1N1CC[C@@H](C[NH2+]C2CC[NH2+]CC2)C1 ZINC000422883887 296350177 /nfs/dbraw/zinc/35/01/77/296350177.db2.gz VWMMYVSLCQJOFB-AWEZNQCLSA-N 2 0 307.869 2.816 20 0 DFADRP Cc1ccc([C@H](CN[C@@H]2CCCCC[C@@H]2[NH3+])[NH+]2CCCC2)o1 ZINC000422885383 296350463 /nfs/dbraw/zinc/35/04/63/296350463.db2.gz YLRDWUNRFZGZJB-BBWFWOEESA-N 2 0 305.466 2.975 20 0 DFADRP Cc1ccccc1C1(C[NH2+][C@H](C)[C@H]2CCC[NH2+]2)CCOCC1 ZINC000422881165 296349656 /nfs/dbraw/zinc/34/96/56/296349656.db2.gz PREPSSXNEPEKTI-SJLPKXTDSA-N 2 0 302.462 2.773 20 0 DFADRP c1ccc2c(c1)O[C@]1(CC[NH2+]C1)C[C@@H]2[NH2+]C[C@H]1CCCS1 ZINC000422881800 296349824 /nfs/dbraw/zinc/34/98/24/296349824.db2.gz ZBRFKPZPECTCML-UKPHBRMFSA-N 2 0 304.459 2.728 20 0 DFADRP COc1ccc(OC(F)F)c(C[NH2+]C2CCC(C[NH3+])CC2)c1 ZINC000422881565 296349883 /nfs/dbraw/zinc/34/98/83/296349883.db2.gz YYCUEWJTELVZQM-UHFFFAOYSA-N 2 0 314.376 2.904 20 0 DFADRP COc1cc(OC)c(CC[NH2+][C@@H]2CCCCC[C@H]2[NH3+])c(OC)c1 ZINC000422886826 296350986 /nfs/dbraw/zinc/35/09/86/296350986.db2.gz JSRPFHXQGXGBPM-HZPDHXFCSA-N 2 0 322.449 2.505 20 0 DFADRP C[C@H](C[N@@H+](CC[C@@H]1CCC[NH+]1C)[C@@H](C)CO)c1ccccc1 ZINC000347410317 285039227 /nfs/dbraw/zinc/03/92/27/285039227.db2.gz AKHRWUIXMYXYRM-AOIWGVFYSA-N 2 0 304.478 2.957 20 0 DFADRP CC[NH+](CC)CCOc1ccccc1CN[C@@H](C)[C@@H]1CCC[NH2+]1 ZINC000422888874 296351270 /nfs/dbraw/zinc/35/12/70/296351270.db2.gz DUUUZQNQDVPSBQ-WMZOPIPTSA-N 2 0 319.493 2.637 20 0 DFADRP Cc1nc(C)c(CC[NH2+][C@@H](C)c2ccc(C[NH3+])nc2C)s1 ZINC000422889432 296351298 /nfs/dbraw/zinc/35/12/98/296351298.db2.gz PNHPCECHSOEJRE-JTQLQIEISA-N 2 0 304.463 2.815 20 0 DFADRP COC1CC[NH+](C(C)(C)CN[C@H]2C[C@@H]([NH3+])c3ccccc32)CC1 ZINC000422891290 296351516 /nfs/dbraw/zinc/35/15/16/296351516.db2.gz VBYRXTPMEFXNIG-MSOLQXFVSA-N 2 0 317.477 2.610 20 0 DFADRP C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2CN[C@@H]2CC[NH2+]C2)C1 ZINC000422892168 296351519 /nfs/dbraw/zinc/35/15/19/296351519.db2.gz MKLFGQAIBSCAEW-JTDSTZFVSA-N 2 0 301.478 2.616 20 0 DFADRP Cc1noc(C)c1CC[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000119669461 195013810 /nfs/dbraw/zinc/01/38/10/195013810.db2.gz DIPYBOFJMTWNGY-QAPCUYQASA-N 2 0 303.450 2.783 20 0 DFADRP CC[C@H](C)NC(=O)c1cccc(C[NH2+][C@@H]2CC[NH2+]CC[C@@H]2C)c1 ZINC000422887607 296350855 /nfs/dbraw/zinc/35/08/55/296350855.db2.gz BKVWKGQWMQMANN-RLFYNMQTSA-N 2 0 317.477 2.693 20 0 DFADRP Cc1nccn1-c1ccc(C[NH2+][C@@H]2CCC[C@H]2C[NH3+])cc1F ZINC000422899836 296352657 /nfs/dbraw/zinc/35/26/57/296352657.db2.gz IHECPJKQUJLGSC-GOEBONIOSA-N 2 0 302.397 2.537 20 0 DFADRP [NH3+]C[C@H]1CCCC[C@H]1[NH2+]Cc1ccnc(N2CCCCC2)c1 ZINC000422900193 296352872 /nfs/dbraw/zinc/35/28/72/296352872.db2.gz QBONPZYGMNYKEW-IAGOWNOFSA-N 2 0 302.466 2.679 20 0 DFADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]C[C@@H]1CCN(c2ccc(F)cc2)C1 ZINC000422901252 296352988 /nfs/dbraw/zinc/35/29/88/296352988.db2.gz RSSPATGPTFGVPQ-MPGHIAIKSA-N 2 0 305.441 2.759 20 0 DFADRP C[C@H]1CC[NH2+]CC[C@H]1[NH2+]CC1CC[NH+](Cc2ccccc2)CC1 ZINC000422900920 296352995 /nfs/dbraw/zinc/35/29/95/296352995.db2.gz KIKKDOIAZAAFJI-FXAWDEMLSA-N 3 0 315.505 2.876 20 0 DFADRP C[C@@H]([NH3+])C[C@H](C)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000422907233 296354161 /nfs/dbraw/zinc/35/41/61/296354161.db2.gz LDWZEEDNRYDQNW-NFWHEIDTSA-N 2 0 301.478 2.897 20 0 DFADRP CC[C@@H](NCc1cccc(OCC[NH+](C)C)c1)[C@@H]1CCCC[NH2+]1 ZINC000422905810 296354171 /nfs/dbraw/zinc/35/41/71/296354171.db2.gz ZLRAXDMVISKDNG-MOPGFXCFSA-N 2 0 319.493 2.637 20 0 DFADRP COc1ccc(Cl)cc1N1CC[C@H]([NH2+][C@H](C)C[C@H](C)[NH3+])C1 ZINC000422906548 296354344 /nfs/dbraw/zinc/35/43/44/296354344.db2.gz KFEIXVUJDROQTH-SCRDCRAPSA-N 2 0 311.857 2.643 20 0 DFADRP CC[C@@H](Nc1cccc(OCC[NH+](C)C)c1)[C@H]1CCCC[NH2+]1 ZINC000422909609 296354497 /nfs/dbraw/zinc/35/44/97/296354497.db2.gz GLPNAFCRMBEYKY-QZTJIDSGSA-N 2 0 305.466 2.960 20 0 DFADRP c1c2ccccc2oc1CC[NH2+][C@@H]1CCOC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000422919950 296355801 /nfs/dbraw/zinc/35/58/01/296355801.db2.gz LEBFMWRYAZLYSG-KZNAEPCWSA-N 2 0 314.429 2.722 20 0 DFADRP CSC1(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)CCOCC1 ZINC000422923648 296355934 /nfs/dbraw/zinc/35/59/34/296355934.db2.gz SHOUVUMRQWAFHU-BZUAXINKSA-N 2 0 312.523 2.799 20 0 DFADRP C[C@@H]1C[C@H](N(C)c2nc3ccccc3n3cncc23)CC[N@@H+]1C ZINC000623992008 399516420 /nfs/dbraw/zinc/51/64/20/399516420.db2.gz ZCGHJNQHJDBLPB-ZIAGYGMSSA-N 2 0 309.417 2.801 20 0 DFADRP Cc1csc(CCCC[NH2+][C@@H]2CCOC[C@@H]2[C@@H]2CCC[NH2+]2)n1 ZINC000422911683 296354928 /nfs/dbraw/zinc/35/49/28/296354928.db2.gz UFBKIJOQYYICHE-OWCLPIDISA-N 2 0 323.506 2.521 20 0 DFADRP C[C@H](CCCC[NH3+])[NH2+][C@H]1CCN(c2ccc(Cl)cc2)C1=O ZINC000422927432 296356615 /nfs/dbraw/zinc/35/66/15/296356615.db2.gz YUPUXVWKTTUXNU-DOMZBBRYSA-N 2 0 309.841 2.552 20 0 DFADRP Clc1ccc(OCC[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)nc1 ZINC000422927988 296356322 /nfs/dbraw/zinc/35/63/22/296356322.db2.gz IESVCUCZBVGQRC-KFWWJZLASA-N 2 0 309.841 2.624 20 0 DFADRP C[C@H]([NH2+]CCOc1cccc(C(F)(F)F)c1)[C@@H]1CC[NH2+]C1 ZINC000422939231 296358298 /nfs/dbraw/zinc/35/82/98/296358298.db2.gz IABBKMYIIPZWKZ-NWDGAFQWSA-N 2 0 302.340 2.672 20 0 DFADRP C[C@H](C[C@H](C)[NH3+])[NH2+]C1CCN(c2nc3ccccc3s2)CC1 ZINC000422934297 296357566 /nfs/dbraw/zinc/35/75/66/296357566.db2.gz CIRTVVRIVWKJDF-QWHCGFSZSA-N 2 0 318.490 2.981 20 0 DFADRP C[C@H](CCCC[NH3+])[NH2+]Cc1ccc(Cn2ccccc2=O)cc1 ZINC000422936715 296357838 /nfs/dbraw/zinc/35/78/38/296357838.db2.gz FVDWDWPCCGJSPI-MRXNPFEDSA-N 2 0 313.445 2.504 20 0 DFADRP C[C@H]([NH3+])[C@H]1COCC[C@@H]1[NH2+]CCc1cccc(Cl)c1Cl ZINC000422950113 296359781 /nfs/dbraw/zinc/35/97/81/296359781.db2.gz VHSOEYXOAFAEKK-SUHUHFCYSA-N 2 0 317.260 2.878 20 0 DFADRP C[C@@H]([NH3+])C[C@@H](C)[NH2+]CCCc1nc(-c2ccncc2)cs1 ZINC000422956963 296360634 /nfs/dbraw/zinc/36/06/34/296360634.db2.gz RSPWDLZVGUGDSA-CHWSQXEVSA-N 2 0 304.463 2.853 20 0 DFADRP C[C@H](CCCC[NH3+])Nc1ccc(N2CCC([NH+](C)C)CC2)cn1 ZINC000422955264 296360712 /nfs/dbraw/zinc/36/07/12/296360712.db2.gz LJHUZUAKAWCRQD-OAHLLOKOSA-N 2 0 319.497 2.541 20 0 DFADRP C[C@H]1CC[NH2+]CC[C@@H]1[NH2+]CCCOc1cccc2cccnc21 ZINC000422956240 296360795 /nfs/dbraw/zinc/36/07/95/296360795.db2.gz OVHVXRLDYBLMSP-RDJZCZTQSA-N 2 0 313.445 2.981 20 0 DFADRP C[C@@H](Nc1cccc(C[NH+]2CCSCC2)c1)[C@@H]1CC[NH2+]C1 ZINC000422957652 296360950 /nfs/dbraw/zinc/36/09/50/296360950.db2.gz USUJLBKAXLEJLN-GDBMZVCRSA-N 2 0 305.491 2.645 20 0 DFADRP CC[N@H+](C)C[C@@H]1CCN(c2nc3ccccc3n3cncc23)C1 ZINC000624005947 399520929 /nfs/dbraw/zinc/52/09/29/399520929.db2.gz HCARVZADRJOOIS-AWEZNQCLSA-N 2 0 309.417 2.661 20 0 DFADRP CC[C@H](C)C(=O)Nc1cccc(C[NH2+][C@@H]2CCC[C@H]2C[NH3+])c1 ZINC000422951595 296360085 /nfs/dbraw/zinc/36/00/85/296360085.db2.gz ZFMNTCDOHQPPSN-JLJPHGGASA-N 2 0 303.450 2.888 20 0 DFADRP CC[C@H](C)C(=O)Nc1cccc(C[NH2+][C@H]2CCC[C@H]2C[NH3+])c1 ZINC000422951597 296360136 /nfs/dbraw/zinc/36/01/36/296360136.db2.gz ZFMNTCDOHQPPSN-QRTARXTBSA-N 2 0 303.450 2.888 20 0 DFADRP C[C@@H]([NH3+])C[C@H](C)[NH2+]Cc1ccc(COC2CCOCC2)cc1 ZINC000422960075 296361244 /nfs/dbraw/zinc/36/12/44/296361244.db2.gz AQCARWWQMARYFI-CABCVRRESA-N 2 0 306.450 2.598 20 0 DFADRP CCOC(=O)[C@H](CC(C)C)[N@@H+]1CCC[C@@H](n2ccnc2C)C1 ZINC000611782765 399525499 /nfs/dbraw/zinc/52/54/99/399525499.db2.gz AVMBUCJYVZCYLS-CVEARBPZSA-N 2 0 307.438 2.806 20 0 DFADRP OCc1ccc(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)cc1F ZINC000422962901 296361708 /nfs/dbraw/zinc/36/17/08/296361708.db2.gz GZRFQMXGVUTVTG-KBAYOESNSA-N 2 0 306.425 2.718 20 0 DFADRP CCOC(=O)C1([C@@H](C)[NH2+]CCC2=CCCCC2)CC[NH2+]CC1 ZINC000422964458 296361916 /nfs/dbraw/zinc/36/19/16/296361916.db2.gz LSIBCGKIQMECCT-OAHLLOKOSA-N 2 0 308.466 2.788 20 0 DFADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]Cc1ccccc1-n1ccnc1 ZINC000422965976 296361940 /nfs/dbraw/zinc/36/19/40/296361940.db2.gz MLCFQIHLQLSHDN-AWEZNQCLSA-N 2 0 321.428 2.885 20 0 DFADRP Cc1nn(-c2ccccc2)cc1CCC[NH2+]C1CCC([NH3+])CC1 ZINC000422964444 296362061 /nfs/dbraw/zinc/36/20/61/296362061.db2.gz LQUDUNMHQOYLBY-UHFFFAOYSA-N 2 0 312.461 2.973 20 0 DFADRP c1cc(OCC2CC2)ncc1C[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000422970702 296362909 /nfs/dbraw/zinc/36/29/09/296362909.db2.gz GXWCHEIHIMXASF-OKZBNKHCSA-N 2 0 315.461 2.881 20 0 DFADRP CC(C)Oc1ccc(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)cn1 ZINC000422969879 296362940 /nfs/dbraw/zinc/36/29/40/296362940.db2.gz DUJFYABUNABPPI-IXDOHACOSA-N 2 0 303.450 2.879 20 0 DFADRP Oc1ccccc1CC[NH2+][C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422975737 296363268 /nfs/dbraw/zinc/36/32/68/296363268.db2.gz UAOMGIKCRWGBME-YLJYHZDGSA-N 2 0 324.424 2.780 20 0 DFADRP C[C@@H](CCCC[NH3+])Nc1cccc(C[NH+]2CCC(CO)CC2)c1 ZINC000422980324 296363654 /nfs/dbraw/zinc/36/36/54/296363654.db2.gz LMXMKXXHMJRVTB-INIZCTEOSA-N 2 0 319.493 2.820 20 0 DFADRP CC(C)[NH+]1CCC(O)(C[NH2+]Cc2ccc(F)c(Cl)c2)CC1 ZINC000270151288 208213553 /nfs/dbraw/zinc/21/35/53/208213553.db2.gz SEKNPLCAYAZKGS-UHFFFAOYSA-N 2 0 314.832 2.804 20 0 DFADRP C[C@@H](C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)c1ccccc1 ZINC000273136218 210513627 /nfs/dbraw/zinc/51/36/27/210513627.db2.gz RHHFHHHTQWNFJG-QGZVFWFLSA-N 2 0 319.493 2.522 20 0 DFADRP C[C@H](CCC[NH3+])[NH2+]C[C@H](CO)Cc1ccc(C(F)(F)F)cc1 ZINC000422989415 296364566 /nfs/dbraw/zinc/36/45/66/296364566.db2.gz LMXDHKAYIXOWMS-TZMCWYRMSA-N 2 0 318.383 2.573 20 0 DFADRP C([NH2+][C@H]1CCOC[C@H]1[C@@H]1CCC[NH2+]1)C1C2CC3CC(C2)CC1C3 ZINC000422990208 296364737 /nfs/dbraw/zinc/36/47/37/296364737.db2.gz NGNBTGKXMFZPJC-IHNBMIFXSA-N 2 0 318.505 2.805 20 0 DFADRP c1ccc(CC2(C[NH2+][C@@H]3CCOC[C@@H]3[C@H]3CCC[NH2+]3)CC2)cc1 ZINC000422993823 296364981 /nfs/dbraw/zinc/36/49/81/296364981.db2.gz GKGOXIBGHIPXEJ-GUDVDZBRSA-N 2 0 314.473 2.756 20 0 DFADRP [NH3+][C@H]1CCCCC[C@@H]1[NH2+]CCOc1ccc(C(F)(F)F)cn1 ZINC000422992922 296365009 /nfs/dbraw/zinc/36/50/09/296365009.db2.gz SBUKHIDXVAEYCQ-STQMWFEESA-N 2 0 317.355 2.729 20 0 DFADRP COCCCOc1cccc(C[NH2+][C@H]2CC[NH2+]CC[C@@H]2C)c1 ZINC000423002091 296365818 /nfs/dbraw/zinc/36/58/18/296365818.db2.gz IUDGBPWUDANFSP-YJBOKZPZSA-N 2 0 306.450 2.580 20 0 DFADRP C[C@@H](CCCC[NH3+])[NH2+]CCOc1ncccc1C(F)(F)F ZINC000423001445 296365988 /nfs/dbraw/zinc/36/59/88/296365988.db2.gz XDUWAMXAYPAKDF-NSHDSACASA-N 2 0 305.344 2.586 20 0 DFADRP CC[NH+](CC)[C@@H](C(=O)N[C@H](C)c1nccn1C)c1ccccc1 ZINC000620594572 399532898 /nfs/dbraw/zinc/53/28/98/399532898.db2.gz GBSOSLXJSSNQBL-GDBMZVCRSA-N 2 0 314.433 2.680 20 0 DFADRP CCOc1cc(Cl)ccc1C[NH2+][C@@H]1CCOC[C@@H]1[C@@H](C)[NH3+] ZINC000422997165 296365343 /nfs/dbraw/zinc/36/53/43/296365343.db2.gz ARQPCUNACIYVMI-KCPJHIHWSA-N 2 0 312.841 2.581 20 0 DFADRP c1nc(C2CC2)ncc1CC[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1 ZINC000423008461 296367052 /nfs/dbraw/zinc/36/70/52/296367052.db2.gz AJIVELHKDFROLH-FGTMMUONSA-N 2 0 314.477 2.797 20 0 DFADRP Cc1nc(C[NH3+])ccc1[C@@H](C)NC[C@H]1CCC[N@H+]1CC(C)C ZINC000423006613 296366667 /nfs/dbraw/zinc/36/66/67/296366667.db2.gz WBBVGHIGZOXXDN-RHSMWYFYSA-N 2 0 304.482 2.620 20 0 DFADRP C[C@@H]1C[C@H](CC[NH2+][C@@H]2CCC[C@H]2[NH3+])C[N@@H+]1Cc1ccccc1 ZINC000423006184 296366723 /nfs/dbraw/zinc/36/67/23/296366723.db2.gz UKOKCNONOARTNY-QXCFHYIPSA-N 3 0 301.478 2.757 20 0 DFADRP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]CCOc1cccc(C(F)(F)F)n1 ZINC000423014874 296367657 /nfs/dbraw/zinc/36/76/57/296367657.db2.gz PZEIKWGGXFHQRD-NWDGAFQWSA-N 2 0 317.355 2.586 20 0 DFADRP CC[C@@H]([NH2+]CCCc1cc(OC)ccc1OC)[C@@H]1CCC[NH2+]1 ZINC000423014627 296367901 /nfs/dbraw/zinc/36/79/01/296367901.db2.gz PJDJXSKGGGZNHH-SJORKVTESA-N 2 0 306.450 2.757 20 0 DFADRP CN1CC[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)[C@@H]1c1ccc(F)c(F)c1 ZINC000423015931 296368027 /nfs/dbraw/zinc/36/80/27/296368027.db2.gz ANPVXJRQCMGQKP-OLDQVJMISA-N 2 0 321.415 2.583 20 0 DFADRP CCOC(=O)C1([C@H](C)[NH2+]CCc2sccc2C)CC[NH2+]CC1 ZINC000423017270 296368229 /nfs/dbraw/zinc/36/82/29/296368229.db2.gz OFHNGOPHHZGMST-AWEZNQCLSA-N 2 0 324.490 2.510 20 0 DFADRP C[C@@H]([NH2+][C@@H](C)c1cnn(Cc2ccccc2)c1)[C@H]1CCC[NH2+]C1 ZINC000423015738 296368262 /nfs/dbraw/zinc/36/82/62/296368262.db2.gz RKFKKURBDUWASD-RYRKJORJSA-N 2 0 312.461 2.970 20 0 DFADRP COC[C@H](CCC[NH3+])[NH2+][C@H]1CCCOc2c(Cl)cccc21 ZINC000423026022 296369089 /nfs/dbraw/zinc/36/90/89/296369089.db2.gz MTDUUXZMODDLET-WFASDCNBSA-N 2 0 312.841 2.897 20 0 DFADRP C[C@H]([NH2+]CCCC[NH+](C)C)c1ncc(Br)s1 ZINC000270285868 208359608 /nfs/dbraw/zinc/35/96/08/208359608.db2.gz YXNYEXJEKUVLFP-VIFPVBQESA-N 2 0 306.273 2.898 20 0 DFADRP COC[C@@H](CCC[NH3+])[NH2+][C@@H]1CCCOc2c(Cl)cccc21 ZINC000423026020 296369222 /nfs/dbraw/zinc/36/92/22/296369222.db2.gz MTDUUXZMODDLET-IUODEOHRSA-N 2 0 312.841 2.897 20 0 DFADRP COc1ccccc1OC[C@@H](C)C[NH2+][C@@H](C)[C@H]1CCCC[NH2+]1 ZINC000423024332 296369390 /nfs/dbraw/zinc/36/93/90/296369390.db2.gz LMTGGNNTEBAURV-HRCADAONSA-N 2 0 306.450 2.830 20 0 DFADRP CC(C)[NH+]1CCN(c2cccc(N[C@H](C)[C@@H]3CC[NH2+]C3)c2)CC1 ZINC000423033511 296370235 /nfs/dbraw/zinc/37/02/35/296370235.db2.gz WZBYTXNAZQUTLR-IAGOWNOFSA-N 2 0 316.493 2.627 20 0 DFADRP COc1ccc(C[C@H](C)C[NH2+][C@@H](C)[C@@H]2CCC[NH2+]2)cc1OC ZINC000423033966 296370250 /nfs/dbraw/zinc/37/02/50/296370250.db2.gz ZZAJLVHHMQCWAU-DZKIICNBSA-N 2 0 306.450 2.613 20 0 DFADRP CS[C@H](C[NH2+][C@@H]1CCOC[C@@H]1[C@H]1CCC[NH2+]1)C(C)(C)C ZINC000423031987 296369963 /nfs/dbraw/zinc/36/99/63/296369963.db2.gz LYWUFUDZGWWWMY-KBUPBQIOSA-N 2 0 300.512 2.511 20 0 DFADRP CC(C)(C)[C@H](CCO)[NH2+][C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423039800 296370571 /nfs/dbraw/zinc/37/05/71/296370571.db2.gz RTDQEZLRWXGGBT-HHXXYDBFSA-N 2 0 318.461 2.629 20 0 DFADRP O[C@H](CCc1ccccc1)C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1 ZINC000423038251 296370671 /nfs/dbraw/zinc/37/06/71/296370671.db2.gz YAJHOVZZUSSMSP-YSTOQKLRSA-N 2 0 316.489 2.881 20 0 DFADRP Cc1nc(C[NH3+])ccc1[C@H](C)N[C@@H](C)C[NH+]1CCCCCC1 ZINC000423045044 296371245 /nfs/dbraw/zinc/37/12/45/296371245.db2.gz BGBZAZSMRBSQAT-GJZGRUSLSA-N 2 0 304.482 2.764 20 0 DFADRP c1ccc2c(c1)O[C@]1(CC[NH2+]C1)C[C@H]2[NH2+]CC[C@H]1CCCCO1 ZINC000423043254 296371273 /nfs/dbraw/zinc/37/12/73/296371273.db2.gz OAGIEZHHPIUPKQ-SZVBFZGTSA-N 2 0 316.445 2.791 20 0 DFADRP COc1ccccc1[C@H](C[NH2+][C@@H](C)[C@H]1CC[NH2+]C1)OC(C)C ZINC000423046894 296371609 /nfs/dbraw/zinc/37/16/09/296371609.db2.gz FHMXNHFZXYOPFH-MPGHIAIKSA-N 2 0 306.450 2.749 20 0 DFADRP C[C@H]([NH3+])[C@H]1COCC[C@H]1[NH2+]CCCCc1ccc(F)c(F)c1 ZINC000423047836 296371701 /nfs/dbraw/zinc/37/17/01/296371701.db2.gz HGJWQSDRVYSADN-DXCKQFNASA-N 2 0 312.404 2.629 20 0 DFADRP CC(C)N1CC[C@@H]([NH2+]C2CC[NH2+]CC2)[C@@H]1c1ccc(F)c(F)c1 ZINC000423049860 296372020 /nfs/dbraw/zinc/37/20/20/296372020.db2.gz YFDFWSXOJNKOMJ-MSOLQXFVSA-N 2 0 323.431 2.830 20 0 DFADRP COc1ccc([C@@H](NCC2([NH+](C)C)CCC2)[C@H]2CCC[NH2+]2)cc1 ZINC000423053868 296372341 /nfs/dbraw/zinc/37/23/41/296372341.db2.gz BEALIVQJIDJTHN-QZTJIDSGSA-N 2 0 317.477 2.562 20 0 DFADRP [NH3+]CC1CCC([NH2+]C[C@]2(O)CCC[C@H](C(F)(F)F)C2)CC1 ZINC000423060227 296373416 /nfs/dbraw/zinc/37/34/16/296373416.db2.gz HSUXZBTZZQONHM-YIOUJQMASA-N 2 0 308.388 2.577 20 0 DFADRP CCOC(=O)C(CC)(CC)C[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000602736433 399549128 /nfs/dbraw/zinc/54/91/28/399549128.db2.gz XFQBOUHBLIQEFB-UHFFFAOYSA-N 2 0 310.482 2.820 20 0 DFADRP C[C@H](CCCC[NH3+])[NH2+][C@@H](c1cnn(C)c1)c1ccc(F)cc1 ZINC000423057723 296373086 /nfs/dbraw/zinc/37/30/86/296373086.db2.gz ZUIGLKSOBGDCEP-CXAGYDPISA-N 2 0 304.413 2.756 20 0 DFADRP CCOC(=O)C1([C@@H](C)[NH2+][C@H]2CCC23CCCC3)CC[NH2+]CC1 ZINC000423072680 296375196 /nfs/dbraw/zinc/37/51/96/296375196.db2.gz HNIJHUBOXKOEDY-CABCVRRESA-N 2 0 308.466 2.620 20 0 DFADRP C([NH2+][C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1)[C@@H]1CCCCN1C1CC1 ZINC000423075252 296375400 /nfs/dbraw/zinc/37/54/00/296375400.db2.gz OCNHKTWDAPMVQM-INDMIFKZSA-N 2 0 305.510 2.904 20 0 DFADRP C[C@H]([NH3+])[C@H](Cc1ccccc1)NC[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000423080607 296376123 /nfs/dbraw/zinc/37/61/23/296376123.db2.gz ZOUQEFWXPLGXJM-SNRMKQJTSA-N 2 0 301.478 2.551 20 0 DFADRP CCOC(=O)C1([C@H](C)[NH2+]C2CCC3(CC3)CC2)CC[NH2+]CC1 ZINC000423079992 296376139 /nfs/dbraw/zinc/37/61/39/296376139.db2.gz ZBTKTFLTHTUSMH-AWEZNQCLSA-N 2 0 308.466 2.620 20 0 DFADRP C[C@@H]([NH2+][C@H]1CCN(c2ccc(Cl)cc2Cl)C1)C1C[NH2+]C1 ZINC000423075478 296375424 /nfs/dbraw/zinc/37/54/24/296375424.db2.gz WYOSFNXMMSFCOZ-MFKMUULPSA-N 2 0 314.260 2.770 20 0 DFADRP CC[C@@H](O)C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000159010971 197318831 /nfs/dbraw/zinc/31/88/31/197318831.db2.gz GGAICTPKPXLIFT-GUDVDZBRSA-N 2 0 302.462 2.744 20 0 DFADRP c1ccc([C@@H]2C[C@H]([NH2+]CC3CC[NH+](C4CC4)CC3)CCN2)cc1 ZINC000423083756 296376325 /nfs/dbraw/zinc/37/63/25/296376325.db2.gz GTGIWSHEFGPNGI-QUCCMNQESA-N 2 0 313.489 2.944 20 0 DFADRP Cc1cccc(CC[NH2+][C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)n1 ZINC000423087016 296376630 /nfs/dbraw/zinc/37/66/30/296376630.db2.gz OPJOTUMFVYVVPS-ICSRJNTNSA-N 2 0 323.440 2.778 20 0 DFADRP CC[NH+](CC)[C@H](C)CN[C@H](c1ccc(OC)cc1)[C@H]1CCC[NH2+]1 ZINC000423087795 296376645 /nfs/dbraw/zinc/37/66/45/296376645.db2.gz QKHXWQCKFVMVFH-ATZDWAIDSA-N 2 0 319.493 2.808 20 0 DFADRP CCO[C@H](C[NH2+][C@@H]1CCOC[C@H]1[C@H]1CCC[NH2+]1)c1ccccc1 ZINC000423088267 296376780 /nfs/dbraw/zinc/37/67/80/296376780.db2.gz PQHCDUFMCKFPMT-WJFTUGDTSA-N 2 0 318.461 2.511 20 0 DFADRP CC[C@@H]1CCC[C@@H]1C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C ZINC000448972705 297385070 /nfs/dbraw/zinc/38/50/70/297385070.db2.gz UZXDVGGHBJGOJE-SJORKVTESA-N 2 0 311.514 2.545 20 0 DFADRP C([NH2+][C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1)C1CC[NH+](C2CC2)CC1 ZINC000423089711 296377070 /nfs/dbraw/zinc/37/70/70/296377070.db2.gz SXLFKMPOCKZMSU-GUDVDZBRSA-N 3 0 305.510 2.761 20 0 DFADRP c1ccc([C@H]2C[C@H]([NH2+]CC3CC[NH+](C4CC4)CC3)CCN2)cc1 ZINC000423083757 296376374 /nfs/dbraw/zinc/37/63/74/296376374.db2.gz GTGIWSHEFGPNGI-UYAOXDASSA-N 2 0 313.489 2.944 20 0 DFADRP C[NH+](C)CCCOc1cnccc1C[NH2+]C[C@@H]1CC=CCC1 ZINC000288654357 220326301 /nfs/dbraw/zinc/32/63/01/220326301.db2.gz VLEKVVMLTYBLTA-MRXNPFEDSA-N 2 0 303.450 2.858 20 0 DFADRP C1C(N[C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)CC1[NH+]1CCCCC1 ZINC000423092945 296377679 /nfs/dbraw/zinc/37/76/79/296377679.db2.gz DYVOQAZKZHPDHS-QCRHNUIXSA-N 2 0 305.510 2.904 20 0 DFADRP C[C@H]([NH3+])[C@H]1COCC[C@@H]1[NH2+][C@H]1C[C@H](c2cc(F)cc(F)c2)C1 ZINC000423100292 296378114 /nfs/dbraw/zinc/37/81/14/296378114.db2.gz VBAUKSBFAGKZEZ-SDLYDOBQSA-N 2 0 310.388 2.553 20 0 DFADRP CC(C)c1ccc(O[C@H](C)C[NH2+][C@@H]2CCOC[C@H]2[C@H](C)[NH3+])cc1 ZINC000423102259 296378606 /nfs/dbraw/zinc/37/86/06/296378606.db2.gz DSRZYEILKMSELQ-LVFSCSRESA-N 2 0 320.477 2.919 20 0 DFADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]C[C@](C)(CO)c1ccccc1 ZINC000423108714 296379182 /nfs/dbraw/zinc/37/91/82/296379182.db2.gz MNUVKIIQNVRYBY-NZSAHSFTSA-N 2 0 304.478 2.837 20 0 DFADRP C[C@H](CC(=O)N(C)c1ccccc1)[NH2+]C[C@H]1CCCC[N@H+](C)C1 ZINC000624121624 399560786 /nfs/dbraw/zinc/56/07/86/399560786.db2.gz ZCCQZLYNLLSNEA-IAGOWNOFSA-N 2 0 317.477 2.750 20 0 DFADRP C[C@H](CCCC[NH3+])[NH2+]Cc1ccc(OC2CC[NH+](C)CC2)cc1 ZINC000423111792 296379730 /nfs/dbraw/zinc/37/97/30/296379730.db2.gz WQTOTVJTIJMNAI-MRXNPFEDSA-N 3 0 319.493 2.767 20 0 DFADRP Cn1nccc1[C@@H]1CCC[C@H]([NH2+]C[C@H]2CCCC[N@H+](C)C2)C1 ZINC000624123954 399562409 /nfs/dbraw/zinc/56/24/09/399562409.db2.gz UPSNWPZTDSPNIF-ZACQAIPSSA-N 2 0 304.482 2.768 20 0 DFADRP CSC1(C[NH2+][C@H]2C[C@@H]([NH3+])c3ccccc32)CC[NH+](C)CC1 ZINC000423118817 296380582 /nfs/dbraw/zinc/38/05/82/296380582.db2.gz AHBZCGHGYULSID-CVEARBPZSA-N 2 0 305.491 2.548 20 0 DFADRP CCOCC(C)(C)C[NH2+][C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423120697 296380592 /nfs/dbraw/zinc/38/05/92/296380592.db2.gz HIUZVFIJGCOKFJ-APWZRJJASA-N 2 0 318.461 2.895 20 0 DFADRP CC(C)Oc1ccc([C@@H](C[NH2+][C@@H]2CCC[NH2+]CC2)N(C)C)cc1 ZINC000423121513 296381005 /nfs/dbraw/zinc/38/10/05/296381005.db2.gz IPNLHDZSFLOSDZ-IEBWSBKVSA-N 2 0 319.493 2.808 20 0 DFADRP COCC(C)(C)C[NH2+][C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423128115 296382033 /nfs/dbraw/zinc/38/20/33/296382033.db2.gz KEHXSSGENOOFMW-CRAIPNDOSA-N 2 0 304.434 2.505 20 0 DFADRP Cc1ccc(C(C)(C)C[NH2+][C@@H]2CCOC[C@H]2[C@H](C)[NH3+])c(C)c1 ZINC000423124365 296381607 /nfs/dbraw/zinc/38/16/07/296381607.db2.gz GIHZXVVHHXWHAZ-XYJFISCASA-N 2 0 304.478 2.923 20 0 DFADRP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]C[C@H](CO)C1CCCCC1 ZINC000423129540 296381983 /nfs/dbraw/zinc/38/19/83/296381983.db2.gz FFMCFMZQKXDJQX-IPELMVKDSA-N 2 0 304.478 2.723 20 0 DFADRP C[C@H]([NH2+]C[C@H](Cc1ccccc1)C(F)(F)F)[C@@H]1CC[NH2+]C1 ZINC000423127758 296382017 /nfs/dbraw/zinc/38/20/17/296382017.db2.gz UPRGXMAFUWOYSX-CFVMTHIKSA-N 2 0 300.368 2.995 20 0 DFADRP OC[C@H](C[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1)c1ccccc1Cl ZINC000423126740 296382019 /nfs/dbraw/zinc/38/20/19/296382019.db2.gz ORHURUGWZCQTPC-PAYONLEZSA-N 2 0 322.880 2.926 20 0 DFADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]Cc1ccc(OC(F)F)c(F)c1 ZINC000423133009 296382483 /nfs/dbraw/zinc/38/24/83/296382483.db2.gz JVOTXRXRXNXBSA-MFKMUULPSA-N 2 0 302.340 2.905 20 0 DFADRP COc1ncccc1CC[NH2+][C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1 ZINC000423141807 296383952 /nfs/dbraw/zinc/38/39/52/296383952.db2.gz RWEZYPVAMYOUPQ-GVDBMIGSSA-N 2 0 303.450 2.533 20 0 DFADRP Clc1cccc(-n2ccnc2)c1CN[C@@H]1CCC[NH2+]CC1 ZINC000423144533 296384064 /nfs/dbraw/zinc/38/40/64/296384064.db2.gz HJKLZNKIRHUAKN-CYBMUJFWSA-N 3 0 304.825 2.757 20 0 DFADRP CCN1C[C@H](C)[C@H]([NH2+]Cc2cccc(C[NH+]3CCCC3)c2)C1 ZINC000347728299 285148208 /nfs/dbraw/zinc/14/82/08/285148208.db2.gz VFOYZVCZKOPSKL-QFBILLFUSA-N 2 0 301.478 2.712 20 0 DFADRP CC(C)(C)CC(C)(C)[NH+]1CCC([NH2+][C@H]2C[C@H](C(N)=O)C2)CC1 ZINC000624133266 399566192 /nfs/dbraw/zinc/56/61/92/399566192.db2.gz KDMMTHRJXCCDFX-CTYIDZIISA-N 2 0 309.498 2.519 20 0 DFADRP CCOC(=O)C1([C@@H](C)[NH2+]C2CC(C(C)(C)C)C2)CC[NH2+]CC1 ZINC000423138093 296383424 /nfs/dbraw/zinc/38/34/24/296383424.db2.gz SAUZUTJEPYGBAP-WLYUNCDWSA-N 2 0 310.482 2.722 20 0 DFADRP C[C@@H]([NH2+][C@H]1CCC[NH2+]CC1)c1ccc(-n2cccn2)c(F)c1 ZINC000423138127 296383532 /nfs/dbraw/zinc/38/35/32/296383532.db2.gz SEXCLECARWKOEK-HIFRSBDPSA-N 2 0 302.397 2.804 20 0 DFADRP CCC[C@H](C[NH2+][C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)OC ZINC000423148322 296385107 /nfs/dbraw/zinc/38/51/07/296385107.db2.gz VAIIKPIKPFHTJM-KYJSFNMBSA-N 2 0 304.434 2.647 20 0 DFADRP O[C@H](C[NH2+][C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1)Cc1cccc(F)c1 ZINC000423149100 296385382 /nfs/dbraw/zinc/38/53/82/296385382.db2.gz WZMXXDFMVGMENS-INDMIFKZSA-N 2 0 320.452 2.630 20 0 DFADRP Cc1ccc(CC[NH2+][C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)nc1 ZINC000423160980 296386507 /nfs/dbraw/zinc/38/65/07/296386507.db2.gz IGBWUOKJOUIKDR-AZUAARDMSA-N 2 0 323.440 2.778 20 0 DFADRP C[C@@H]1CCC[N@H+](CC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)[C@@H]1C ZINC000184586939 296387579 /nfs/dbraw/zinc/38/75/79/296387579.db2.gz DMEQJDDXWOIUEM-NUJGCVRESA-N 2 0 317.477 2.526 20 0 DFADRP C[C@H]([NH3+])[C@@H]1COCC[C@H]1[NH2+]C[C@@H]1[C@@H](c2ccccc2)C1(C)C ZINC000423172355 296387942 /nfs/dbraw/zinc/38/79/42/296387942.db2.gz SLOKGHGKPPHIHF-PFPDTZPXSA-N 2 0 302.462 2.768 20 0 DFADRP CC(C)(C)c1ccncc1C[NH2+][C@@H]1CCOC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000423173075 296388108 /nfs/dbraw/zinc/38/81/08/296388108.db2.gz WURCEBHZQZJBJC-RYQLBKOJSA-N 2 0 317.477 2.626 20 0 DFADRP COC1CCC([NH2+][C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)CC1 ZINC000423165580 296387383 /nfs/dbraw/zinc/38/73/83/296387383.db2.gz BDPOIFCROHRHSY-IUSFWMAGSA-N 2 0 316.445 2.790 20 0 DFADRP C[C@H](NCC1([NH3+])CCCCC1)c1cccc(OCC[NH+](C)C)c1 ZINC000423180057 296389031 /nfs/dbraw/zinc/38/90/31/296389031.db2.gz NIYXOBFZCCRBNU-INIZCTEOSA-N 2 0 319.493 2.939 20 0 DFADRP C[C@H]([NH2+]CCC[NH3+])c1cccc(OCc2cn3ccccc3n2)c1 ZINC000423176652 296388546 /nfs/dbraw/zinc/38/85/46/296388546.db2.gz HQJLABBGUSMEBU-HNNXBMFYSA-N 2 0 324.428 2.913 20 0 DFADRP Fc1ccc([C@@H]([NH2+]CCCN2CC[NH2+]CC2)C2CCCC2)cc1 ZINC000423182418 296389230 /nfs/dbraw/zinc/38/92/30/296389230.db2.gz KHCJOQGLWMSDMA-IBGZPJMESA-N 2 0 319.468 2.942 20 0 DFADRP C[C@@H]([NH2+]CCCN1CC[NH2+]CC1)C1CCC(C(F)(F)F)CC1 ZINC000423181909 296389355 /nfs/dbraw/zinc/38/93/55/296389355.db2.gz JVIIKUJMBQLSFW-WLYUNCDWSA-N 2 0 321.431 2.629 20 0 DFADRP CC(C)[C@H](CSc1ccccc1)[NH2+]CCCN1CC[NH2+]CC1 ZINC000423184254 296389639 /nfs/dbraw/zinc/38/96/39/296389639.db2.gz LYZZAFYYYPZPTR-SFHVURJKSA-N 2 0 321.534 2.688 20 0 DFADRP C[C@@H]1C[C@@H](NCC2([NH3+])CCCCC2)C[N@@H+]1Cc1ccccc1 ZINC000423183449 296389767 /nfs/dbraw/zinc/38/97/67/296389767.db2.gz RXXXJHTXHWOAGO-SJLPKXTDSA-N 2 0 301.478 2.901 20 0 DFADRP FC(F)(F)Oc1ccc2c(c1)[C@H]([NH2+]C1CC[NH2+]CC1)CC2 ZINC000423187760 296390186 /nfs/dbraw/zinc/39/01/86/296390186.db2.gz PMEOIRFXESAGPB-CQSZACIVSA-N 2 0 300.324 2.914 20 0 DFADRP C[C@@H](C[NH2+][C@@H](C)c1ccc(OCC[NH+](C)C)cc1)C[C@H](C)O ZINC000157591289 197199856 /nfs/dbraw/zinc/19/98/56/197199856.db2.gz QEABYMIPAOKDKQ-PMPSAXMXSA-N 2 0 308.466 2.685 20 0 DFADRP CC[C@@H](NCCC[NH2+]Cc1cccnc1)c1ccc(F)cn1 ZINC000423193347 296390786 /nfs/dbraw/zinc/39/07/86/296390786.db2.gz XEZOAFDZYVMEBF-MRXNPFEDSA-N 2 0 302.397 2.836 20 0 DFADRP CC(C)NC(=O)Nc1ccc([C@H](C)[NH2+]C2CC[NH2+]CC2)cc1 ZINC000423186900 296390056 /nfs/dbraw/zinc/39/00/56/296390056.db2.gz OOJZIHUTZMPWHZ-ZDUSSCGKSA-N 2 0 304.438 2.619 20 0 DFADRP Fc1ccc([C@H]([NH2+]CCN2CC[NH2+]CC2)C2CCCC2)cc1 ZINC000423205872 296392245 /nfs/dbraw/zinc/39/22/45/296392245.db2.gz PXDHYFIORRAAIU-GOSISDBHSA-N 2 0 305.441 2.552 20 0 DFADRP CC(C)c1ccc2c(c1)[C@H]([NH2+]CCN1CC[NH2+]CC1)CCC2 ZINC000423206324 296392495 /nfs/dbraw/zinc/39/24/95/296392495.db2.gz QKAAKLFYNWSTSC-LJQANCHMSA-N 2 0 301.478 2.682 20 0 DFADRP C[C@H]([NH2+]C[C@H]1CCC[NH2+]C1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000423211001 296392715 /nfs/dbraw/zinc/39/27/15/296392715.db2.gz KLONVGBYJXMJCF-KBPBESRZSA-N 2 0 316.449 2.621 20 0 DFADRP CC(C)Sc1ccc([C@@H](C)[NH2+]CCN2CC[NH2+]CC2)cc1 ZINC000423211108 296392855 /nfs/dbraw/zinc/39/28/55/296392855.db2.gz XYNSBHODAYZYMO-OAHLLOKOSA-N 2 0 307.507 2.743 20 0 DFADRP C[C@@H]1[C@H](NC2C[C@H]3CC[C@@H](C2)[NH2+]3)CCC[N@@H+]1Cc1ccccc1 ZINC000423209506 296392878 /nfs/dbraw/zinc/39/28/78/296392878.db2.gz GHYGYJQJNQIVPN-QBAGFEOCSA-N 2 0 313.489 2.912 20 0 DFADRP COCCOc1ccc([C@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000423219652 296393573 /nfs/dbraw/zinc/39/35/73/296393573.db2.gz WOIFYGJAPBKJEK-JTUUTPGSSA-N 2 0 304.434 2.645 20 0 DFADRP CC(C)NC(=O)Nc1ccc([C@H](C)[NH2+]C[C@@H]2CCC[NH2+]C2)cc1 ZINC000423218465 296393621 /nfs/dbraw/zinc/39/36/21/296393621.db2.gz VPBLXGHWYXAGQX-LSDHHAIUSA-N 2 0 318.465 2.867 20 0 DFADRP CCN(CC)C(=O)Nc1ccc([C@@H](C)[NH2+]CC[C@@H](C)[NH3+])cc1 ZINC000423226124 296394333 /nfs/dbraw/zinc/39/43/33/296394333.db2.gz PMSCPBOFSGMRHL-ZIAGYGMSSA-N 2 0 306.454 2.948 20 0 DFADRP CC[NH2+]CCN[C@@H]1CCCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000423235934 296395639 /nfs/dbraw/zinc/39/56/39/296395639.db2.gz NSCPEGJAEPHOGG-VAMGGRTRSA-N 2 0 315.505 2.876 20 0 DFADRP Brc1ccc2c(c1)CC[C@H]([NH2+]C[C@@H]1CCC[NH2+]1)C2 ZINC000423237215 296395689 /nfs/dbraw/zinc/39/56/89/296395689.db2.gz PQYKENWRDMIVDN-GJZGRUSLSA-N 2 0 309.251 2.648 20 0 DFADRP CC(C)[C@H]([NH2+]CC[C@@H]1CC[NH2+]C1)c1ccc2[nH]c(=O)oc2c1 ZINC000423238366 296396114 /nfs/dbraw/zinc/39/61/14/296396114.db2.gz ABZSARLSGRQJNO-LRDDRELGSA-N 2 0 303.406 2.820 20 0 DFADRP c1ccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@@H]([NH2+]CC[C@H]2CC[NH2+]C2)C3)cc1 ZINC000423240289 296396075 /nfs/dbraw/zinc/39/60/75/296396075.db2.gz CAVIZLPWONNQCG-RSPOEFSDSA-N 3 0 313.489 2.771 20 0 DFADRP CC[NH2+]CCN[C@@H]1CC[N@H+](Cc2ccccc2)[C@H]2CCC[C@@H]21 ZINC000423244033 296396211 /nfs/dbraw/zinc/39/62/11/296396211.db2.gz XCAOAFYLXNLVKG-QRVBRYPASA-N 2 0 301.478 2.629 20 0 DFADRP c1c2c(nn1-c1ccccc1)CCC[C@H]2[NH2+]CC[C@@H]1CC[NH2+]C1 ZINC000423247263 296396676 /nfs/dbraw/zinc/39/66/76/296396676.db2.gz KXXIDAHHHABTJW-MAUKXSAKSA-N 2 0 310.445 2.839 20 0 DFADRP CCOC(=O)[C@@H]1CC[C@H]([NH2+]CC[C@@H]2CC[NH2+]C2)c2ccccc21 ZINC000423251397 296397029 /nfs/dbraw/zinc/39/70/29/296397029.db2.gz SAOJGTQRNULJJO-QGTPRVQTSA-N 2 0 316.445 2.757 20 0 DFADRP CCOC(=O)c1oc2c(c1C)[C@@H]([NH2+]CC[C@@H]1CC[NH2+]C1)CCC2 ZINC000423253173 296397041 /nfs/dbraw/zinc/39/70/41/296397041.db2.gz VMRDBKBSTMDBHH-KBPBESRZSA-N 2 0 320.433 2.731 20 0 DFADRP C[C@@H]1CN(Cc2ccccc2)CC[C@H]1[NH2+]CC[C@@H]1CCC[NH2+]C1 ZINC000423261368 296397895 /nfs/dbraw/zinc/39/78/95/296397895.db2.gz RZBPXHOWXHEVAQ-WSTZPKSXSA-N 3 0 315.505 2.876 20 0 DFADRP CCO[C@@H]1C[C@H](N[C@H](C[NH3+])CC(C)C)[C@@H]1Oc1ccccc1 ZINC000423262170 296397928 /nfs/dbraw/zinc/39/79/28/296397928.db2.gz LWFUJDMMSXACHJ-OWLYRPNTSA-N 2 0 306.450 2.574 20 0 DFADRP COCCOc1ccc([C@@H](C)[NH2+]CC[C@@H]2CCC[NH2+]C2)cc1 ZINC000423260464 296398010 /nfs/dbraw/zinc/39/80/10/296398010.db2.gz QDADLFCKZCDDIN-CVEARBPZSA-N 2 0 306.450 2.752 20 0 DFADRP CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@@H]2CCC[C@H]2C[NH3+])c2ccccc21 ZINC000423271790 296399278 /nfs/dbraw/zinc/39/92/78/296399278.db2.gz JJIPLMOOCODLDG-LIRZEXBASA-N 2 0 316.445 2.885 20 0 DFADRP C[NH2+]C[C@H](C)C[NH2+][C@@H](C)Cc1ccc(F)cc1Br ZINC000423270711 296399290 /nfs/dbraw/zinc/39/92/90/296399290.db2.gz IDKDIQMYZSDRKP-QWRGUYRKSA-N 2 0 317.246 2.964 20 0 DFADRP C[NH2+]CCOCC[NH2+][C@H]1CCC[C@@H]1c1ccc(OC(C)C)cc1 ZINC000629404154 399595466 /nfs/dbraw/zinc/59/54/66/399595466.db2.gz LAMIQLQUPPABDE-MOPGFXCFSA-N 2 0 320.477 2.936 20 0 DFADRP C[C@H](C[NH2+]CCOCCC[NH3+])c1cccc(Br)c1 ZINC000629400468 399594053 /nfs/dbraw/zinc/59/40/53/399594053.db2.gz YQGRYERHXLWCCS-GFCCVEGCSA-N 2 0 315.255 2.508 20 0 DFADRP CC(C)NC(=O)Nc1ccc([C@H](C)[NH2+][C@H]2CCC[C@H]2C[NH3+])cc1 ZINC000423278027 296399777 /nfs/dbraw/zinc/39/97/77/296399777.db2.gz QJMDCBGVNJPYHZ-QRTARXTBSA-N 2 0 318.465 2.995 20 0 DFADRP CN1CC[C@H]([NH2+]CC[C@@H]2CCC[NH2+]C2)C[C@@H]1c1ccccc1 ZINC000423277901 296399842 /nfs/dbraw/zinc/39/98/42/296399842.db2.gz QKGFBAQTHZPWJO-YTQUADARSA-N 2 0 301.478 2.801 20 0 DFADRP CC[NH+](CC)CCC[C@@H](C)NC(=O)c1ccc([C@H](C)[NH3+])cc1 ZINC000423297960 296401985 /nfs/dbraw/zinc/40/19/85/296401985.db2.gz MODDDOPHBNJNJE-CABCVRRESA-N 2 0 305.466 2.947 20 0 DFADRP C[C@H](C[NH3+])C[NH2+][C@@H](Cc1ccccc1Br)C1CC1 ZINC000423299306 296401907 /nfs/dbraw/zinc/40/19/07/296401907.db2.gz BRNKLDYFDQJSPM-ABAIWWIYSA-N 2 0 311.267 2.955 20 0 DFADRP CC1(C[NH2+][C@H](c2ncc[nH]2)c2ccc(F)cc2)CC[NH2+]CC1 ZINC000423316396 296403387 /nfs/dbraw/zinc/40/33/87/296403387.db2.gz APERCTYNVZMKHU-HNNXBMFYSA-N 2 0 302.397 2.618 20 0 DFADRP C[N@H+](CC1CC1)CC1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000156185665 197093790 /nfs/dbraw/zinc/09/37/90/197093790.db2.gz QXMPRCKKXNGTCD-IBGZPJMESA-N 2 0 302.462 2.774 20 0 DFADRP C[C@@H]([NH2+]CC1(C)CC[NH2+]CC1)c1ncc(Br)s1 ZINC000423316332 296403193 /nfs/dbraw/zinc/40/31/93/296403193.db2.gz AMDZDVQMGGGQCI-SECBINFHSA-N 2 0 318.284 2.946 20 0 DFADRP CC1CC[NH+](Cc2ccc(NC(=O)[C@H]([NH3+])C3CCC3)cc2)CC1 ZINC000423326635 296404829 /nfs/dbraw/zinc/40/48/29/296404829.db2.gz JKYNTZRQYLRNJQ-GOSISDBHSA-N 2 0 315.461 2.984 20 0 DFADRP CC[NH+](CC)CCCCNC(=O)C(C)(C)[C@H]([NH3+])c1ccccc1 ZINC000423330362 296405123 /nfs/dbraw/zinc/40/51/23/296405123.db2.gz NPRWYCIQNBFSHT-QGZVFWFLSA-N 2 0 319.493 2.951 20 0 DFADRP C[C@@H]([NH2+]C[C@@H]1CC[NH2+]C1)c1ccc(OCC(F)(F)F)cc1 ZINC000423331556 296405338 /nfs/dbraw/zinc/40/53/38/296405338.db2.gz GSKUNOWIJOVZBO-VXGBXAGGSA-N 2 0 302.340 2.888 20 0 DFADRP CC[C@H]([NH2+]CC[C@H]1CCC[N@@H+]1C)c1ccc2c(c1)OCCO2 ZINC000271652714 209096856 /nfs/dbraw/zinc/09/68/56/209096856.db2.gz IMTLVHGBLIRRND-CVEARBPZSA-N 2 0 304.434 2.983 20 0 DFADRP COC(=O)CCC[C@@H]1CCC[C@H]([NH2+]C[C@@]2(C)CCC[NH2+]C2)C1 ZINC000423347506 296407179 /nfs/dbraw/zinc/40/71/79/296407179.db2.gz RLPZTYRQRQJSOX-BQFCYCMXSA-N 2 0 310.482 2.868 20 0 DFADRP C[C@H]([NH3+])c1ccc(C(=O)NC[C@@]2([NH+](C)C)CCC[C@@H](C)C2)cc1 ZINC000423356623 296408169 /nfs/dbraw/zinc/40/81/69/296408169.db2.gz QYHLHZCTKJEZSY-ZRGWGRIASA-N 2 0 317.477 2.947 20 0 DFADRP CC(C)[C@@H]1CCC[C@H]([NH2+]C[C@@H](N2CC[NH2+]CC2)C(F)(F)F)C1 ZINC000423371572 296409935 /nfs/dbraw/zinc/40/99/35/296409935.db2.gz AKQBVTCMOYJLFG-QLFBSQMISA-N 2 0 321.431 2.627 20 0 DFADRP C[C@H](Cc1cnccn1)[NH2+][C@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000347900295 285232739 /nfs/dbraw/zinc/23/27/39/285232739.db2.gz JMLQZCYXZDJIBR-ZHALLVOQSA-N 2 0 324.472 2.908 20 0 DFADRP COc1cc([C@H](C)[NH2+][C@@H]2CCC[C@@H]([NH3+])C2)cc(OC)c1OC ZINC000423388335 296411542 /nfs/dbraw/zinc/41/15/42/296411542.db2.gz NJUSUNLJNCQDRS-IACUBPJLSA-N 2 0 308.422 2.633 20 0 DFADRP C[C@H](CCC(C)(C)C)[NH2+]C[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000423396589 296412213 /nfs/dbraw/zinc/41/22/13/296412213.db2.gz RUIOTHBTZAAYFP-CHWSQXEVSA-N 2 0 309.420 2.627 20 0 DFADRP COCC1(C[NH2+][C@H](C)c2nccc3ccccc32)CC[NH2+]CC1 ZINC000423397951 296412489 /nfs/dbraw/zinc/41/24/89/296412489.db2.gz CKSPBNCZGJBMCZ-OAHLLOKOSA-N 2 0 313.445 2.902 20 0 DFADRP CC(C)[C@H]([NH2+]C[C@H]1C[NH2+]C[C@@H]1O)c1cccc(C(F)(F)F)c1 ZINC000423397852 296412569 /nfs/dbraw/zinc/41/25/69/296412569.db2.gz CIHJOSSQWKYHKN-SNPRPXQTSA-N 2 0 316.367 2.572 20 0 DFADRP COCC1(C[NH2+][C@H](C)c2ccc(F)cc2N(C)C)CC[NH2+]CC1 ZINC000423397884 296412574 /nfs/dbraw/zinc/41/25/74/296412574.db2.gz CIXGCTLHDIDLSF-CQSZACIVSA-N 2 0 323.456 2.559 20 0 DFADRP COc1ccc(C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)c(C)c1OC ZINC000347911100 285239915 /nfs/dbraw/zinc/23/99/15/285239915.db2.gz KQFAFOHJEUMNFF-DLBZAZTESA-N 2 0 318.461 2.928 20 0 DFADRP COC(=O)c1csc([C@H](C)[NH2+]C[C@H]2CC[C@H](C[NH3+])CC2)c1 ZINC000423421890 296415147 /nfs/dbraw/zinc/41/51/47/296415147.db2.gz KSFMXPYRLRVOJU-AVGNSLFASA-N 2 0 310.463 2.950 20 0 DFADRP CCCC[C@@H]([NH2+]CC(=O)NC1CC[NH+](C2CC2)CC1)C1CCC1 ZINC000347918892 285244874 /nfs/dbraw/zinc/24/48/74/285244874.db2.gz JELCHIIPOFARGF-GOSISDBHSA-N 2 0 321.509 2.678 20 0 DFADRP C[NH+]1CCN(C(C)(C)C[NH2+][C@@H]2CCCc3sccc32)CC1 ZINC000061325434 542454830 /nfs/dbraw/zinc/45/48/30/542454830.db2.gz ALCCFXIOSLEPHW-OAHLLOKOSA-N 2 0 307.507 2.741 20 0 DFADRP CC1CCC([NH+]2CCC([N@H+](C)CC[C@@H]3CCOC3=O)CC2)CC1 ZINC000120381601 195156167 /nfs/dbraw/zinc/15/61/67/195156167.db2.gz LIJZPSJPSNPMNH-UPTPFMHGSA-N 2 0 322.493 2.915 20 0 DFADRP COc1ncc([C@H](C)[NH2+][C@@H]2C[C@H]2C2CC[NH2+]CC2)cc1Cl ZINC000423447791 296417746 /nfs/dbraw/zinc/41/77/46/296417746.db2.gz UJAVNVYHDGUFNZ-VZJVUDMVSA-N 2 0 309.841 2.782 20 0 DFADRP CCOC(=O)[C@@H]1CC[C@@H]([NH2+][C@H](C)CCC[NH3+])c2ccccc21 ZINC000423456900 296418061 /nfs/dbraw/zinc/41/80/61/296418061.db2.gz OICGKQFJQITLJN-KBRIMQKVSA-N 2 0 304.434 2.885 20 0 DFADRP COc1cc2c(cc1OC)[C@@H]([NH2+]CCC[C@H]1CCC[NH2+]1)CC2 ZINC000423481358 296420767 /nfs/dbraw/zinc/42/07/67/296420767.db2.gz OFNVROBZDRWXFD-ZBFHGGJFSA-N 2 0 304.434 2.813 20 0 DFADRP COCCc1nc(C)c([C@H](C)[NH2+]CCC[C@H]2CCC[NH2+]2)s1 ZINC000423484874 296420840 /nfs/dbraw/zinc/42/08/40/296420840.db2.gz REXUMZSKOQECDI-JSGCOSHPSA-N 2 0 311.495 2.823 20 0 DFADRP CC(=O)N1CC[C@H]([NH2+]CCC[C@H]2CCC[NH2+]2)c2ccccc2C1 ZINC000423491295 296421658 /nfs/dbraw/zinc/42/16/58/296421658.db2.gz YXSUWIIJVDJPOL-MJGOQNOKSA-N 2 0 315.461 2.602 20 0 DFADRP CCO[C@@H]1C[C@@H]([NH2+]CCC2=CC[NH2+]CC2)[C@H]1Oc1ccccc1 ZINC000423536910 296427804 /nfs/dbraw/zinc/42/78/04/296427804.db2.gz IOZBVTUJDTYFDG-GUDVDZBRSA-N 2 0 316.445 2.511 20 0 DFADRP CC[C@H]([NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1)c1ccc2c(c1)OCCO2 ZINC000423539999 296427832 /nfs/dbraw/zinc/42/78/32/296427832.db2.gz JDGIZUCAHCGJSH-NXOAAHMSSA-N 2 0 316.445 2.887 20 0 DFADRP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1ccc[nH]c1=O ZINC000624257722 399617365 /nfs/dbraw/zinc/61/73/65/399617365.db2.gz NXWCKUXPJAKCBR-MAUKXSAKSA-N 2 0 311.429 2.787 20 0 DFADRP Cn1cc([C@@H]([NH2+]CCC2=CC[NH2+]CC2)c2cccc(F)c2)cn1 ZINC000423543198 296428507 /nfs/dbraw/zinc/42/85/07/296428507.db2.gz UQRIRYZSBSNTBD-SFHVURJKSA-N 2 0 314.408 2.548 20 0 DFADRP COc1ccc2c(c1)C[C@H]([NH2+][C@@H]1CC[C@@H]3C[NH2+]C[C@@H]3C1)CC2 ZINC000423548336 296428827 /nfs/dbraw/zinc/42/88/27/296428827.db2.gz QSZBLWKWBSYDLO-BZZMCLGOSA-N 2 0 300.446 2.530 20 0 DFADRP CC[C@H]([NH2+]C[C@H](C)CN1CC[NH+](C)CC1)c1ccc(C)cc1 ZINC000120824039 195245192 /nfs/dbraw/zinc/24/51/92/195245192.db2.gz HCHIDMSMNNLZLT-HKUYNNGSSA-N 2 0 303.494 2.919 20 0 DFADRP Cc1cc(C)cc([C@@H](C)[NH2+]C[C@@H](C)CN2CC[NH+](C)CC2)c1 ZINC000120789091 195238214 /nfs/dbraw/zinc/23/82/14/195238214.db2.gz NPGQMAWTYSSKPS-QZTJIDSGSA-N 2 0 303.494 2.838 20 0 DFADRP C[C@H]([NH2+]Cc1ccc[nH]c1=O)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000624259649 399619200 /nfs/dbraw/zinc/61/92/00/399619200.db2.gz SDAXIEUHMNEYIQ-YJBOKZPZSA-N 2 0 311.429 2.787 20 0 DFADRP C[C@H]([NH2+]C[C@@]1(C)CCOC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000347991089 285287072 /nfs/dbraw/zinc/28/70/72/285287072.db2.gz BNVGWIOZVCZUGX-QXAKKESOSA-N 2 0 302.462 2.913 20 0 DFADRP C[C@@H]([NH2+][C@H](C)c1cccc(OCC[NH+](C)C)c1)c1cn[nH]c1 ZINC000271601933 209050099 /nfs/dbraw/zinc/05/00/99/209050099.db2.gz ZQAQKQRIEHQHKQ-ZIAGYGMSSA-N 2 0 302.422 2.762 20 0 DFADRP CCC[C@H](C(=O)N[C@H](C[NH3+])c1ccc2ccccc2c1)[NH+](C)C ZINC000423612802 296433754 /nfs/dbraw/zinc/43/37/54/296433754.db2.gz OQXUKCFTGFVGAG-QZTJIDSGSA-N 2 0 313.445 2.686 20 0 DFADRP CC(C)[C@H]1C[N@H+](Cc2ccccc2)CCN1C[C@H]1CCC[NH+]1C ZINC000625728543 399626138 /nfs/dbraw/zinc/62/61/38/399626138.db2.gz XHMLWBVAOGPNBL-WOJBJXKFSA-N 2 0 315.505 2.923 20 0 DFADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]C[C@@H]1Cc2ccccc2CO1 ZINC000629513626 399630455 /nfs/dbraw/zinc/63/04/55/399630455.db2.gz MGENIVSFXVIGAT-ACJLOTCBSA-N 2 0 311.429 2.641 20 0 DFADRP C[C@H]([NH3+])[C@H]1COCC[C@H]1[N@@H+]1CC[C@@H](Oc2cccc(Cl)c2)C1 ZINC000629512929 399630515 /nfs/dbraw/zinc/63/05/15/399630515.db2.gz CZOGNTZJCADSGI-WBQNTZJQSA-N 2 0 324.852 2.545 20 0 DFADRP c1ccc2c(c1)CO[C@H](C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1)C2 ZINC000629513050 399630852 /nfs/dbraw/zinc/63/08/52/399630852.db2.gz JZLGXKBHTACRGO-ZSYWTGECSA-N 2 0 300.446 2.638 20 0 DFADRP CCC(CC)(CNC(=O)[C@H](C)[NH+](C)C)[NH2+][C@@H](C)c1ccccc1 ZINC000078742006 542483917 /nfs/dbraw/zinc/48/39/17/542483917.db2.gz KZZWFAPSUBYPJP-HOTGVXAUSA-N 2 0 319.493 2.962 20 0 DFADRP CCC(CC)(CNC(=O)[C@H](C)[NH+](C)C)[NH2+][C@H](C)c1ccccc1 ZINC000078742012 542484052 /nfs/dbraw/zinc/48/40/52/542484052.db2.gz KZZWFAPSUBYPJP-CVEARBPZSA-N 2 0 319.493 2.962 20 0 DFADRP CO[C@H]1C[C@@H](C[NH2+][C@@H](C)c2cccc(OCC[NH+](C)C)c2)C1 ZINC000624309007 399633782 /nfs/dbraw/zinc/63/37/82/399633782.db2.gz BIIUAEAWMBIQSA-RLFYNMQTSA-N 2 0 306.450 2.703 20 0 DFADRP CC[C@H]1[NH2+]CC[C@H]1C(=O)NCc1cccc(C[N@H+](C)C(C)C)c1 ZINC000289864227 221277598 /nfs/dbraw/zinc/27/75/98/221277598.db2.gz GRACLFODBRHARE-QZTJIDSGSA-N 2 0 317.477 2.531 20 0 DFADRP CC[N@@H+]1CC[C@H]([NH2+]Cc2ccc(COCCOC)cc2)[C@@H](C)C1 ZINC000289876958 221286560 /nfs/dbraw/zinc/28/65/60/221286560.db2.gz WYWCZQVJIJAHHW-LPHOPBHVSA-N 2 0 320.477 2.670 20 0 DFADRP CC[NH+](CC)[C@@H](CNC(=O)[C@@H]1CCC[NH2+][C@@H]1C)c1ccsc1 ZINC000289902469 221304346 /nfs/dbraw/zinc/30/43/46/221304346.db2.gz MZJUZIVBWAAVRA-BMFZPTHFSA-N 2 0 323.506 2.635 20 0 DFADRP C[NH2+]CCOCC[NH2+][C@H]1CCSc2ccc(Cl)cc21 ZINC000629528889 399636561 /nfs/dbraw/zinc/63/65/61/399636561.db2.gz MJQIYKDFDGKHKA-ZDUSSCGKSA-N 2 0 300.855 2.703 20 0 DFADRP COCCOCc1ccc(C[NH2+]C[C@H](C)C[NH+]2CCCC2)cc1 ZINC000289921128 221318243 /nfs/dbraw/zinc/31/82/43/221318243.db2.gz ZNJPSXCZHHEIDU-KRWDZBQOSA-N 2 0 320.477 2.671 20 0 DFADRP C[NH2+]CCOCC[NH2+][C@@H]1CCc2cc(Cl)cc(Cl)c21 ZINC000629529911 399637273 /nfs/dbraw/zinc/63/72/73/399637273.db2.gz QGWGBWUCNRFNTD-CYBMUJFWSA-N 2 0 303.233 2.806 20 0 DFADRP C[C@@H]([NH2+]CCOCCC[NH3+])c1ccccc1OC(F)(F)F ZINC000629534461 399639295 /nfs/dbraw/zinc/63/92/95/399639295.db2.gz AIZOQSRFXFOPFW-LLVKDONJSA-N 2 0 306.328 2.601 20 0 DFADRP CC(C)c1ccc2c(c1)[C@H]([NH2+]CCOCCC[NH3+])CCCO2 ZINC000629537632 399640090 /nfs/dbraw/zinc/64/00/90/399640090.db2.gz KIDRUBZKXNEKER-QGZVFWFLSA-N 2 0 306.450 2.979 20 0 DFADRP COc1ccc2cc([C@H](C)[NH2+]CCOCCC[NH3+])ccc2c1 ZINC000629537404 399640094 /nfs/dbraw/zinc/64/00/94/399640094.db2.gz HSLYEJYWKZGPQI-AWEZNQCLSA-N 2 0 302.418 2.864 20 0 DFADRP C[C@@H](C[C@@H]1CCCCC[NH2+]1)[NH2+][C@@H]1CCO[C@H]1c1ccc(=O)[nH]c1 ZINC000629538684 399640322 /nfs/dbraw/zinc/64/03/22/399640322.db2.gz OEXYMQFKENNPBN-SCNOPHJPSA-N 2 0 319.449 2.518 20 0 DFADRP C[C@H]([NH2+]CCOCCC[NH3+])c1ccc(Br)s1 ZINC000629540233 399639916 /nfs/dbraw/zinc/63/99/16/399639916.db2.gz ODHGZPLBIZGTBR-VIFPVBQESA-N 2 0 307.257 2.527 20 0 DFADRP [NH3+]C1CCC([NH2+][C@@H]2CCN(c3ccc(Cl)cc3F)C2)CC1 ZINC000629543823 399641118 /nfs/dbraw/zinc/64/11/18/399641118.db2.gz FLQVXCXPCHPCFV-JXQTWKCFSA-N 2 0 311.832 2.917 20 0 DFADRP C[C@H](Cc1ccccc1)[NH+]1CCC(N[C@@H]2CC[C@@H](C)[NH2+]C2)CC1 ZINC000629541981 399641960 /nfs/dbraw/zinc/64/19/60/399641960.db2.gz VYRYERALYGXELE-MBOZVWFJSA-N 2 0 315.505 2.812 20 0 DFADRP [NH3+]CCCOCC[NH2+][C@H]1CCc2ccc(OC(F)(F)F)cc21 ZINC000629541905 399641524 /nfs/dbraw/zinc/64/15/24/399641524.db2.gz SZXLEWORBVVCTQ-AWEZNQCLSA-N 2 0 318.339 2.528 20 0 DFADRP C(C[NH+]1CCC(Cc2nc(C3CCC3)no2)CC1)[C@@H]1CC[NH2+]C1 ZINC000629581317 399655245 /nfs/dbraw/zinc/65/52/45/399655245.db2.gz WBAIGROZTYGMIE-HNNXBMFYSA-N 2 0 318.465 2.591 20 0 DFADRP C[C@]12C[NH2+]C[C@@]1(C)C[N@H+](CCC(=O)Nc1ccccc1Cl)C2 ZINC000629592864 399658033 /nfs/dbraw/zinc/65/80/33/399658033.db2.gz FKFPCNUXWZREEW-CALCHBBNSA-N 2 0 321.852 2.600 20 0 DFADRP C[C@@H]1C[C@H]1C[NH+]1CCC(c2cc(C3CC[NH2+]CC3)[nH]n2)CC1 ZINC000629547324 399644140 /nfs/dbraw/zinc/64/41/40/399644140.db2.gz MJARIHGHPOVKNA-CJNGLKHVSA-N 2 0 302.466 2.712 20 0 DFADRP Fc1cc(Cl)ccc1N1CC[C@@H]([NH2+][C@@H]2CCC[NH2+]CC2)C1 ZINC000629547480 399644162 /nfs/dbraw/zinc/64/41/62/399644162.db2.gz TUSFMGWAWQIPLU-ZIAGYGMSSA-N 2 0 311.832 2.790 20 0 DFADRP C(c1nc(C2CCCC2)no1)C1CC[NH+](C[C@H]2CC[NH2+]C2)CC1 ZINC000629552320 399645075 /nfs/dbraw/zinc/64/50/75/399645075.db2.gz HNHOFCLAHSGNPT-HNNXBMFYSA-N 2 0 318.465 2.591 20 0 DFADRP C[C@@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]Cc1ccc2oc(=O)n(C)c2c1 ZINC000629550018 399645570 /nfs/dbraw/zinc/64/55/70/399645570.db2.gz WDWCFSRKRRHVDF-ZFWWWQNUSA-N 2 0 317.433 2.532 20 0 DFADRP CC(C)CC[C@@H]1CC[C@@H]([NH2+]Cc2cn([C@@H]3CC[NH2+]C3)nn2)C1 ZINC000629549739 399645673 /nfs/dbraw/zinc/64/56/73/399645673.db2.gz LHAQFLOMLWURJR-BFYDXBDKSA-N 2 0 305.470 2.507 20 0 DFADRP Fc1ccc(COC2CC[NH+](CC[C@@H]3CC[NH2+]C3)CC2)cc1 ZINC000629552550 399646910 /nfs/dbraw/zinc/64/69/10/399646910.db2.gz MAEGVJDMARILON-HNNXBMFYSA-N 2 0 306.425 2.806 20 0 DFADRP CO[C@H](C[N@@H+]1CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C1)C1CCCC1 ZINC000629563769 399650284 /nfs/dbraw/zinc/65/02/84/399650284.db2.gz RALGISYYBWJDQB-MELADBBJSA-N 2 0 308.388 2.651 20 0 DFADRP COCc1cccc(CN2CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)c1 ZINC000629564655 399651247 /nfs/dbraw/zinc/65/12/47/399651247.db2.gz TYBOZFMXYCCCRO-GJZGRUSLSA-N 2 0 316.367 2.792 20 0 DFADRP C[N@H+](CCOCC[NH3+])Cc1ccc(Br)c(Cl)c1 ZINC000629661456 399680190 /nfs/dbraw/zinc/68/01/90/399680190.db2.gz BPVZSDUFYKEERP-UHFFFAOYSA-N 2 0 321.646 2.510 20 0 DFADRP COC(=O)c1cccc(C[N@H+](C)CCCC[NH+]2CCCCC2)n1 ZINC000603117321 399685709 /nfs/dbraw/zinc/68/57/09/399685709.db2.gz GNWJMSUYEISYDW-UHFFFAOYSA-N 2 0 319.449 2.566 20 0 DFADRP Cc1ccc(C[C@@H](C[NH3+])CO)cc1-c1cccc(C[NH+](C)C)c1 ZINC000629706234 399696222 /nfs/dbraw/zinc/69/62/22/399696222.db2.gz GWFCUAODXYTASD-SFHVURJKSA-N 2 0 312.457 2.833 20 0 DFADRP C[NH2+]CCn1cc(-c2cc(C[NH+]3CCCC3)ccc2F)cn1 ZINC000629702868 399695288 /nfs/dbraw/zinc/69/52/88/399695288.db2.gz VJGBTLUTSHKIOA-UHFFFAOYSA-N 2 0 302.397 2.504 20 0 DFADRP C[NH2+]CCOCC[N@H+](C)Cc1ccc(-c2ccccc2F)o1 ZINC000629652532 399675771 /nfs/dbraw/zinc/67/57/71/399675771.db2.gz GKBISNPYUUARIC-UHFFFAOYSA-N 2 0 306.381 2.754 20 0 DFADRP C[NH2+]CCOCC[N@H+](C)Cc1ccc(OC)c2ccccc12 ZINC000629652627 399676141 /nfs/dbraw/zinc/67/61/41/399676141.db2.gz KEIVYRBXDDWYGZ-UHFFFAOYSA-N 2 0 302.418 2.516 20 0 DFADRP C[NH2+]CCOCC[N@H+](C)Cc1ccc(C(F)(F)F)cc1C ZINC000629653726 399676472 /nfs/dbraw/zinc/67/64/72/399676472.db2.gz MMJJICHOSNXTOA-UHFFFAOYSA-N 2 0 304.356 2.682 20 0 DFADRP C[C@H](C[NH2+]CC1([NH3+])CCOCC1)c1ccc(C(F)(F)F)cc1 ZINC000629653470 399676524 /nfs/dbraw/zinc/67/65/24/399676524.db2.gz ICRMMSOWICTAHB-GFCCVEGCSA-N 2 0 316.367 2.906 20 0 DFADRP C[C@H]([NH3+])Cc1ccc(-c2ccccc2C[NH+]2CCN(C)CC2)cc1 ZINC000629734918 399707962 /nfs/dbraw/zinc/70/79/62/399707962.db2.gz AJFVTRUETVXYTP-KRWDZBQOSA-N 2 0 323.484 2.991 20 0 DFADRP C[NH+](C)Cc1cc(-c2ccc(C[C@@H](C[NH3+])CO)cc2)ccc1F ZINC000629739249 399709634 /nfs/dbraw/zinc/70/96/34/399709634.db2.gz ZBOBYSBHSITYSZ-HNNXBMFYSA-N 2 0 316.420 2.664 20 0 DFADRP [NH3+]C1CC[NH+](Cc2ccc(-c3ccc(F)cc3CO)cc2)CC1 ZINC000629738810 399709927 /nfs/dbraw/zinc/70/99/27/399709927.db2.gz QUOXKTRGZMBHIH-UHFFFAOYSA-N 2 0 314.404 2.908 20 0 DFADRP Cc1ccccc1[C@@H]([NH3+])C(=O)NCCC[NH+](C(C)C)C(C)C ZINC000294966355 224344089 /nfs/dbraw/zinc/34/40/89/224344089.db2.gz GBWQOJNNDXGVBD-QGZVFWFLSA-N 2 0 305.466 2.620 20 0 DFADRP C[C@@H]([NH2+]Cc1cccc2c1OCCCO2)C1CC[NH+](C)CC1 ZINC000090546879 542536416 /nfs/dbraw/zinc/53/64/16/542536416.db2.gz BYXVGIZBHMVMKX-CQSZACIVSA-N 2 0 304.434 2.668 20 0 DFADRP COc1ccc(COCC[NH2+][C@@H](C)C2CC[NH+](C)CC2)cc1 ZINC000091740761 542542142 /nfs/dbraw/zinc/54/21/42/542542142.db2.gz ZZLZVRBVTLZIGQ-HNNXBMFYSA-N 2 0 306.450 2.532 20 0 DFADRP C[C@H]1C[C@@H]([N@H+](C)Cc2ccc(OCC[NH+](C)C)cc2)CCN1C ZINC000093643824 542553136 /nfs/dbraw/zinc/55/31/36/542553136.db2.gz RMTPEBFDIUYJTP-WMZOPIPTSA-N 2 0 319.493 2.542 20 0 DFADRP CC[C@@H]1CC[C@H]1[NH2+]CCN1CC[NH+](Cc2ccccc2)CC1 ZINC000348089272 285339430 /nfs/dbraw/zinc/33/94/30/285339430.db2.gz SRUMWBCUBRMMAM-RTBURBONSA-N 2 0 301.478 2.582 20 0 DFADRP C[NH+](C)Cc1ccc(-c2noc(CC[C@H]3CCC[NH2+]C3)n2)cc1 ZINC000621246211 399732163 /nfs/dbraw/zinc/73/21/63/399732163.db2.gz QZPODXHYYFNKEW-CQSZACIVSA-N 2 0 314.433 2.730 20 0 DFADRP C[NH+]1CCN(c2cc(C[NH2+][C@@H]3CC[C@H]3C(C)(C)C)ccn2)CC1 ZINC000348098807 285347317 /nfs/dbraw/zinc/34/73/17/285347317.db2.gz BTNKOELGEGROBC-IAGOWNOFSA-N 2 0 316.493 2.748 20 0 DFADRP CC[C@@H]1CC[C@H]1[NH2+]Cc1ccc(CN2CC[NH+](C)CC2)cc1 ZINC000348104015 285351752 /nfs/dbraw/zinc/35/17/52/285351752.db2.gz NHYRUNKAVAAACL-RTBURBONSA-N 2 0 301.478 2.712 20 0 DFADRP C[N@@H+](Cc1ccc(C[NH+]2CCCCC2)cc1)C[C@H]1C[C@@H](O)C1 ZINC000626047441 399733968 /nfs/dbraw/zinc/73/39/68/399733968.db2.gz MHNOFKQOQLCLEY-KDURUIRLSA-N 2 0 302.462 2.875 20 0 DFADRP CC(C)[C@H](C(=O)Nc1cccc(CC[NH+]2CCCC2)c1)[C@@H](C)[NH3+] ZINC000423773561 296446048 /nfs/dbraw/zinc/44/60/48/296446048.db2.gz MXLZWKLBJHUKFX-QAPCUYQASA-N 2 0 317.477 2.883 20 0 DFADRP CC(C)CN(C(=O)C[NH+]1CCC(CC[NH+](C)C)CC1)C(C)C ZINC000121641424 195322352 /nfs/dbraw/zinc/32/23/52/195322352.db2.gz RSKPPJQXDSNYMQ-UHFFFAOYSA-N 2 0 311.514 2.543 20 0 DFADRP CC[NH+]1CCC(CC[NH2+]C2CCN(CC(F)(F)F)CC2)CC1 ZINC000121668500 195327010 /nfs/dbraw/zinc/32/70/10/195327010.db2.gz KTNPJNNXSPUMNF-UHFFFAOYSA-N 2 0 321.431 2.725 20 0 DFADRP Cc1cc(C[NH+](C)C)cc(NC(=O)C[C@H]2CCCC[C@@H]2[NH3+])c1 ZINC000423778318 296446832 /nfs/dbraw/zinc/44/68/32/296446832.db2.gz CRNPVEBUSMHQTQ-WBVHZDCISA-N 2 0 303.450 2.903 20 0 DFADRP CC[C@H]1CC[C@@H]1[NH2+]Cc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC000348124685 285365942 /nfs/dbraw/zinc/36/59/42/285365942.db2.gz NLFJVMWZJXTCDZ-HKUYNNGSSA-N 2 0 302.462 2.922 20 0 DFADRP CC(C)[C@@H](C(=O)N1CCC(CCC[NH+]2CCCC2)CC1)[C@H](C)[NH3+] ZINC000423792577 296448645 /nfs/dbraw/zinc/44/86/45/296448645.db2.gz HZWUSPVQIMRNGA-FUHWJXTLSA-N 2 0 323.525 2.720 20 0 DFADRP CC(C)[C@@H](C(=O)N1CCC(CCC[NH+]2CCCC2)CC1)[C@@H](C)[NH3+] ZINC000423792580 296448742 /nfs/dbraw/zinc/44/87/42/296448742.db2.gz HZWUSPVQIMRNGA-SJLPKXTDSA-N 2 0 323.525 2.720 20 0 DFADRP CC(C)[C@H](C(=O)N1CCC(CCC[NH+]2CCCC2)CC1)[C@@H](C)[NH3+] ZINC000423792574 296448816 /nfs/dbraw/zinc/44/88/16/296448816.db2.gz HZWUSPVQIMRNGA-AEFFLSMTSA-N 2 0 323.525 2.720 20 0 DFADRP CCCc1ccc([C@@H](C)[NH2+]C[C@@H](C)N2CC[NH+](C)CC2)cc1 ZINC000127510976 195884105 /nfs/dbraw/zinc/88/41/05/195884105.db2.gz IHRAQLJADOWRCR-IAGOWNOFSA-N 2 0 303.494 2.926 20 0 DFADRP CC[N@H+](CCn1ccnc1C)Cc1ccc(C[NH+](C)C)cc1 ZINC000626063107 399741308 /nfs/dbraw/zinc/74/13/08/399741308.db2.gz REAYFUPELCOSJZ-UHFFFAOYSA-N 2 0 300.450 2.775 20 0 DFADRP CC[N@H+](Cc1ccc(C[NH+](C)C)cc1)[C@H]1CCN(C(C)C)C1=O ZINC000626062158 399741177 /nfs/dbraw/zinc/74/11/77/399741177.db2.gz JTCGRHOMVKVHFS-SFHVURJKSA-N 2 0 317.477 2.579 20 0 DFADRP CC[N@H+](C)[C@@H](C(=O)N[C@H](C)C1CC[NH+](C)CC1)c1ccccc1 ZINC000603320420 399743742 /nfs/dbraw/zinc/74/37/42/399743742.db2.gz IMJMEHPFHLGGGC-CRAIPNDOSA-N 2 0 317.477 2.526 20 0 DFADRP CO[C@@H](Cc1ccccc1)C[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000295037628 533376023 /nfs/dbraw/zinc/37/60/23/533376023.db2.gz NQHNBKRBLATAGM-MOPGFXCFSA-N 2 0 302.462 2.662 20 0 DFADRP CN(Cc1ccccc1)C[C@@H](O)C[N@@H+]1C[C@@H]2CCCC[C@@]21C ZINC000626105066 399754853 /nfs/dbraw/zinc/75/48/53/399754853.db2.gz QVWGCJPLVNOFAB-OTWHNJEPSA-N 2 0 302.462 2.744 20 0 DFADRP CCC[NH+]1CCC([NH2+]CCN2CCc3ccccc3C2)CC1 ZINC000121725496 542586256 /nfs/dbraw/zinc/58/62/56/542586256.db2.gz JYMQMTWHNHJQRB-UHFFFAOYSA-N 2 0 301.478 2.509 20 0 DFADRP C[C@H](CCNC(=O)CCC[NH+]1CCC([NH3+])CC1)CC(C)(C)C ZINC000423920551 296466987 /nfs/dbraw/zinc/46/69/87/296466987.db2.gz GSBYMHPEXVJJGJ-OAHLLOKOSA-N 2 0 311.514 2.768 20 0 DFADRP CCC[NH+]1CCC(N[C@H](Cc2ccccc2)C[NH+](C)C)CC1 ZINC000128820547 542620910 /nfs/dbraw/zinc/62/09/10/542620910.db2.gz JEPIWDODQAKPLL-LJQANCHMSA-N 2 0 303.494 2.623 20 0 DFADRP CC(C)[C@@H](C[NH2+][C@H]1CCc2ccc(F)cc21)N1CC[NH+](C)CC1 ZINC000132495422 542642111 /nfs/dbraw/zinc/64/21/11/542642111.db2.gz DPFBGDJMKSCZHY-RBUKOAKNSA-N 2 0 319.468 2.675 20 0 DFADRP C[C@H]([NH2+]C[C@H](c1cccc(F)c1)N(C)C)C1CC[NH+](C)CC1 ZINC000133591336 542646541 /nfs/dbraw/zinc/64/65/41/542646541.db2.gz FXCVAIYZDKMCNF-KBXCAEBGSA-N 2 0 307.457 2.748 20 0 DFADRP CCc1ccccc1[C@H]([NH3+])CNC(=O)[C@H]1CCCCCC[C@H]1[NH3+] ZINC000423990353 296472454 /nfs/dbraw/zinc/47/24/54/296472454.db2.gz ZEAJIPWDVIMLGE-RCCFBDPRSA-N 2 0 317.477 2.663 20 0 DFADRP COc1ccc(OCCC[NH2+][C@H](C)C2CC[NH+](C)CC2)cc1 ZINC000152504227 542677371 /nfs/dbraw/zinc/67/73/71/542677371.db2.gz IEFHFMXVSUYEQK-OAHLLOKOSA-N 2 0 306.450 2.784 20 0 DFADRP COCCOc1ccc(C[NH2+][C@H](C)C2CC[NH+](C)CC2)cc1 ZINC000154101747 542687161 /nfs/dbraw/zinc/68/71/61/542687161.db2.gz PFTFQJMTYPVANN-OAHLLOKOSA-N 2 0 306.450 2.532 20 0 DFADRP C[C@H]([NH2+]CC1CC[NH+](CCO)CC1)c1cccc(C2CC2)c1 ZINC000340232459 131240088 /nfs/dbraw/zinc/24/00/88/131240088.db2.gz FGZYNJGGOSWWOJ-HNNXBMFYSA-N 2 0 302.462 2.919 20 0 DFADRP CCC[N@H+](C)C[C@H]1CC[NH+](C[C@@H](O)Cc2cccc(Cl)c2)C1 ZINC000287966125 131308364 /nfs/dbraw/zinc/30/83/64/131308364.db2.gz ZANBMHKFIZKPRK-AEFFLSMTSA-N 2 0 324.896 2.907 20 0 DFADRP CC1(C)C[NH2+][C@@H]1C1CCN(C(=O)CC2(C[NH3+])CCCCC2)CC1 ZINC000424038825 296478985 /nfs/dbraw/zinc/47/89/85/296478985.db2.gz IZLAVCMKHSNYCP-QGZVFWFLSA-N 2 0 321.509 2.522 20 0 DFADRP CC[C@H]([NH2+]CCN1CCC(OC)CC1)c1ccc(OC)cc1 ZINC000163676909 542743428 /nfs/dbraw/zinc/74/34/28/542743428.db2.gz FFJNCESUOOWVQH-SFHVURJKSA-N 2 0 306.450 2.847 20 0 DFADRP CC(C)C[C@@H]([NH3+])C(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000166691740 542751161 /nfs/dbraw/zinc/75/11/61/542751161.db2.gz NLWPDVFEEPMSNJ-MRXNPFEDSA-N 2 0 321.490 2.547 20 0 DFADRP C[C@H]1CCC[N@H+](Cc2ccc(NC(=O)[C@@H]3CCC[C@@H]3[NH3+])cc2)C1 ZINC000164571877 542746561 /nfs/dbraw/zinc/74/65/61/542746561.db2.gz OKWLNDKASOGZQO-QGTPRVQTSA-N 2 0 315.461 2.984 20 0 DFADRP CCc1cccc(NC(=O)CN(C)[C@H]2CC[N@@H+](CC)C[C@@H]2C)c1 ZINC000174769693 542762287 /nfs/dbraw/zinc/76/22/87/542762287.db2.gz UVVRRHLLGOIVCW-YJBOKZPZSA-N 2 0 317.477 2.850 20 0 DFADRP C[NH+](C)CC1CCC([NH2+][C@H]2CCO[C@H](C(F)(F)F)C2)CC1 ZINC000348372024 285514821 /nfs/dbraw/zinc/51/48/21/285514821.db2.gz HOUJAMWEFPTZHS-HOAMVYINSA-N 2 0 308.388 2.806 20 0 DFADRP [NH3+][C@H](CCC(=O)N1CCC2(C1)CC[NH2+]CC2)CC1CCCCC1 ZINC000424155049 296488699 /nfs/dbraw/zinc/48/86/99/296488699.db2.gz NDDSOXYEXZPQDR-QGZVFWFLSA-N 2 0 321.509 2.666 20 0 DFADRP CC1(CNC(=O)CC[C@@H]([NH3+])CC2CCCCC2)CC[NH2+]CC1 ZINC000424158898 296489263 /nfs/dbraw/zinc/48/92/63/296489263.db2.gz UOABYWWOFQTDEB-MRXNPFEDSA-N 2 0 309.498 2.570 20 0 DFADRP Cc1c[nH+]ccc1N1CCN(Cc2cnn(C(C)(C)C)c2)CC1 ZINC000192570355 542852043 /nfs/dbraw/zinc/85/20/43/542852043.db2.gz NVEGHDIIKJEHAX-UHFFFAOYSA-N 2 0 313.449 2.664 20 0 DFADRP C[NH+]1CCN(CCC[NH2+][C@H]2CCSc3c(F)cccc32)CC1 ZINC000192940277 542855476 /nfs/dbraw/zinc/85/54/76/542855476.db2.gz ZGQVZCIPNNWESP-INIZCTEOSA-N 2 0 323.481 2.590 20 0 DFADRP Cc1c[nH+]ccc1NCc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC000191980561 542848678 /nfs/dbraw/zinc/84/86/78/542848678.db2.gz CJVLDPJRBFCVNR-UHFFFAOYSA-N 2 0 311.429 2.959 20 0 DFADRP [NH3+]Cc1ccc(C(=O)Nc2ccc(CC[NH+]3CCCC3)cc2)o1 ZINC000237998303 542908901 /nfs/dbraw/zinc/90/89/01/542908901.db2.gz CLFXMPTYHFRGBF-UHFFFAOYSA-N 2 0 313.401 2.629 20 0 DFADRP CC[NH+](CC)[C@H](CN[C@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccco1 ZINC000252801781 542948284 /nfs/dbraw/zinc/94/82/84/542948284.db2.gz MQDGEYLZLXUSOH-YESZJQIVSA-N 2 0 305.466 2.879 20 0 DFADRP CN(CC[N@@H+]1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1)c1ccccc1 ZINC000261633990 542952502 /nfs/dbraw/zinc/95/25/02/542952502.db2.gz FCAUNZMTXFBYAE-QUCCMNQESA-N 2 0 309.457 2.797 20 0 DFADRP O[C@@H]1CCC[C@@H]1[NH+]1CCC([NH2+][C@H]2CCc3ccc(F)cc32)CC1 ZINC000271438572 542965625 /nfs/dbraw/zinc/96/56/25/542965625.db2.gz CCBMOTUOMAPMBH-GBESFXJTSA-N 2 0 318.436 2.780 20 0 DFADRP CCC[N@H+](CC)Cc1ccc(C(=O)N[C@H]2CCC[C@@H]([NH3+])C2)cc1 ZINC000275805637 542976206 /nfs/dbraw/zinc/97/62/06/542976206.db2.gz UHFOFOPVIREHFW-MSOLQXFVSA-N 2 0 317.477 2.918 20 0 DFADRP COc1cc2c(cc1OC)[C@@H]([NH2+]C[C@@H]1CC[N@@H+](C3CC3)C1)CC2 ZINC000280003420 542985934 /nfs/dbraw/zinc/98/59/34/542985934.db2.gz GDVIAYOTLCBMKV-GUYCJALGSA-N 2 0 316.445 2.765 20 0 DFADRP CC[N@@H+]1CC[C@H](C[NH2+][C@H]2CCc3cc(OC)c(OC)cc32)C1 ZINC000280146969 542987183 /nfs/dbraw/zinc/98/71/83/542987183.db2.gz PZRDBPIOYLCVKJ-CJNGLKHVSA-N 2 0 304.434 2.623 20 0 DFADRP CCC1(CC)[C@@H]([NH2+]Cc2cc(C3CC[NH2+]CC3)no2)C[C@@H]1OC ZINC000424379877 296505696 /nfs/dbraw/zinc/50/56/96/296505696.db2.gz PKFHDJJJWQCMFM-IRXDYDNUSA-N 2 0 321.465 2.825 20 0 DFADRP Cc1cc(C[NH3+])cc(NC(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)c1 ZINC000424426479 296508954 /nfs/dbraw/zinc/50/89/54/296508954.db2.gz ACNCHYHTOLQKNC-ZDUSSCGKSA-N 2 0 306.454 2.552 20 0 DFADRP Cc1cc(C[NH3+])cc(NC(=O)N(CC[NH+](C)C)CC(C)C)c1 ZINC000424430428 296509481 /nfs/dbraw/zinc/50/94/81/296509481.db2.gz BYJKYRKOOROSJM-UHFFFAOYSA-N 2 0 306.454 2.505 20 0 DFADRP Cc1cc(C[NH3+])cc(NC(=O)NCCC[NH+]2CCCCCC2)c1 ZINC000424446609 296510053 /nfs/dbraw/zinc/51/00/53/296510053.db2.gz RSIXBQGRTVACKE-UHFFFAOYSA-N 2 0 318.465 2.841 20 0 DFADRP C[C@H](NC(=O)CCC(C)(C)[NH3+])[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000309770561 543066180 /nfs/dbraw/zinc/06/61/80/543066180.db2.gz HIUSAAUTANFWEY-RDJZCZTQSA-N 2 0 317.477 2.531 20 0 DFADRP C[C@H]([NH2+]CC(C)(C)N1CC[NH+](C)CC1)c1ccc(F)c(F)c1 ZINC000314281566 543069299 /nfs/dbraw/zinc/06/92/99/543069299.db2.gz BKZMLJHQECSTOP-ZDUSSCGKSA-N 2 0 311.420 2.641 20 0 DFADRP [NH3+]C[C@]12CCC[C@H]1C[N@H+](CCC(=O)Nc1cccc(Cl)c1)C2 ZINC000319602896 543079839 /nfs/dbraw/zinc/07/98/39/543079839.db2.gz KPQKYWRDBXCXDQ-GUYCJALGSA-N 2 0 321.852 2.729 20 0 DFADRP CC(C)[NH+]1CCC(N(C)C(=O)CC[C@H]([NH3+])c2ccccc2)CC1 ZINC000320536408 543082441 /nfs/dbraw/zinc/08/24/41/543082441.db2.gz JTHROAGSAGQDQZ-SFHVURJKSA-N 2 0 317.477 2.798 20 0 DFADRP CCC[N@@H+]1CC[C@H](N[C@H](C)[C@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC000328264098 543095729 /nfs/dbraw/zinc/09/57/29/543095729.db2.gz NUVIVHHSGYSDOX-HOJAQTOUSA-N 2 0 315.505 2.971 20 0 DFADRP C[C@H](NC(=O)Nc1cccc(C[NH+](C)C)c1)C1CC[NH+](C)CC1 ZINC000604420443 399845383 /nfs/dbraw/zinc/84/53/83/399845383.db2.gz JPZISJYEUCABQE-AWEZNQCLSA-N 2 0 318.465 2.600 20 0 DFADRP CC[NH+]1CCC(CCNC(=O)C2(C[NH+](C)C)CCCCC2)CC1 ZINC000348906285 285718255 /nfs/dbraw/zinc/71/82/55/285718255.db2.gz AHUSCTPVEQMYJI-UHFFFAOYSA-N 2 0 323.525 2.737 20 0 DFADRP C[C@H]1CCCC[N@@H+]1CCC(=O)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000339278975 543143514 /nfs/dbraw/zinc/14/35/14/543143514.db2.gz NNXQBEONPVUICP-ZWKOTPCHSA-N 2 0 321.509 2.585 20 0 DFADRP COc1cc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)c2ccccc2n1 ZINC000339068355 543139494 /nfs/dbraw/zinc/13/94/94/543139494.db2.gz FXNLFNMLBSALNP-CVEARBPZSA-N 2 0 311.429 2.960 20 0 DFADRP c1cc(C[NH+]2CCCC2)ccc1C[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000339068002 543139814 /nfs/dbraw/zinc/13/98/14/543139814.db2.gz IYLJLOUOCIRATF-PMACEKPBSA-N 3 0 313.489 2.999 20 0 DFADRP c1cc(C[NH+]2CCCC2)ccc1C[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000339068014 543140196 /nfs/dbraw/zinc/14/01/96/543140196.db2.gz IYLJLOUOCIRATF-UXHICEINSA-N 3 0 313.489 2.999 20 0 DFADRP c1ccc2c(c1)CC[NH+](CCCN[C@H]1CC[N@@H+]3CCC[C@H]3C1)C2 ZINC000339076132 543140630 /nfs/dbraw/zinc/14/06/30/543140630.db2.gz TUWZMEWIARHIFS-PMACEKPBSA-N 2 0 313.489 2.651 20 0 DFADRP Clc1cccnc1N1CC[C@H]([NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)C1 ZINC000339073689 543140665 /nfs/dbraw/zinc/14/06/65/543140665.db2.gz DDULYRXTHFMGQC-KKUMJFAQSA-N 2 0 320.868 2.530 20 0 DFADRP C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)CC[NH+]1CCCC[C@@H]1C ZINC000339251296 543142023 /nfs/dbraw/zinc/14/20/23/543142023.db2.gz CQENFCLBQXNLIX-XDNAFOTISA-N 2 0 323.525 2.734 20 0 DFADRP CC[NH+]1CCN(c2ccc(C[NH2+][C@H]3CC[C@H]3C3CC3)cn2)CC1 ZINC000348077785 543183079 /nfs/dbraw/zinc/18/30/79/543183079.db2.gz FFOWLXIYIXVPQE-ROUUACIJSA-N 2 0 314.477 2.502 20 0 DFADRP COC1(C[N@@H+]2CCC[C@H](C[NH+]3CCCC[C@H]3C)C2)CCOCC1 ZINC000368440034 292111125 /nfs/dbraw/zinc/11/11/25/292111125.db2.gz ZVMJIFBETSILFI-MSOLQXFVSA-N 2 0 324.509 2.768 20 0 DFADRP CC(C)n1ncc2c1C[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@@H]3CCC[C@@H]31)CC2 ZINC000353687560 543238992 /nfs/dbraw/zinc/23/89/92/543238992.db2.gz MCTJIKMSXXBSAX-BRSBDYLESA-N 2 0 316.493 2.784 20 0 DFADRP C[C@H]([NH2+]C[C@H](O)C[NH+]1CCCC1)C1CCC(C(F)(F)F)CC1 ZINC000354205337 543242592 /nfs/dbraw/zinc/24/25/92/543242592.db2.gz AOKIRGGMGQBINU-PPWQZUPISA-N 2 0 322.415 2.790 20 0 DFADRP C[C@H]([NH2+]CC1(O)CC[NH+](C)CC1)C1CCC(C(F)(F)F)CC1 ZINC000354408100 543243727 /nfs/dbraw/zinc/24/37/27/543243727.db2.gz LHNIEBSMFPNMDZ-HSBZDZAISA-N 2 0 322.415 2.790 20 0 DFADRP CC(C)[NH+]1CCC([NH2+]C[C@@](C)(CO)Cc2ccccc2)CC1 ZINC000358054655 543265551 /nfs/dbraw/zinc/26/55/51/543265551.db2.gz LQCZMONEOAJLLS-IBGZPJMESA-N 2 0 304.478 2.690 20 0 DFADRP C[C@@H]1C[C@H](NC[C@H]2CCCC[NH2+]2)CC[N@@H+]1Cc1ccccc1 ZINC000379659407 543297204 /nfs/dbraw/zinc/29/72/04/543297204.db2.gz ZVQFQEOSGLUAPX-BHIYHBOVSA-N 2 0 301.478 2.771 20 0 DFADRP C[C@H]([NH2+]C[C@H]1CC[N@H+](Cc2ccccc2)C1)C1CC[NH+](C)CC1 ZINC000380953240 543297556 /nfs/dbraw/zinc/29/75/56/543297556.db2.gz SGQYRABOAVXFTM-PKOBYXMFSA-N 3 0 315.505 2.828 20 0 DFADRP C[C@H]([NH2+][C@@H]1CCCN(C)C1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000381802331 543298080 /nfs/dbraw/zinc/29/80/80/543298080.db2.gz UOGITISPMPBAHK-YTQUADARSA-N 2 0 301.478 2.581 20 0 DFADRP C[NH+]1CCN(C(C)(C)C[NH2+][C@H]2CCc3cc(Cl)ccc32)CC1 ZINC000388488429 543303183 /nfs/dbraw/zinc/30/31/83/543303183.db2.gz LSOYAOSAPVTVQX-KRWDZBQOSA-N 2 0 321.896 2.943 20 0 DFADRP [NH3+][C@H]1CCC[C@@H]([NH2+]CC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000397640639 543310620 /nfs/dbraw/zinc/31/06/20/543310620.db2.gz SAOLKSULRRYAMI-RBUKOAKNSA-N 3 0 301.478 2.758 20 0 DFADRP OC1(C[NH2+][C@H]2CCC[C@@H]3C[C@@H]32)CC[NH+](Cc2ccccc2)CC1 ZINC000397519579 543310970 /nfs/dbraw/zinc/31/09/70/543310970.db2.gz UHZJGBACSLESOX-QYZOEREBSA-N 2 0 314.473 2.792 20 0 DFADRP [NH3+][C@H](C(=O)NCc1cccc(C[NH+]2CCCC2)c1)c1ccccc1 ZINC000164723128 145226207 /nfs/dbraw/zinc/22/62/07/145226207.db2.gz AUJNCJYCKADNSN-IBGZPJMESA-N 2 0 323.440 2.599 20 0 DFADRP CCC[C@@H]([NH3+])C(=O)NC[C@H](c1ccccc1)[NH+]1CCC(C)CC1 ZINC000165725837 145232088 /nfs/dbraw/zinc/23/20/88/145232088.db2.gz KLBLKSHJSDOZAL-QZTJIDSGSA-N 2 0 317.477 2.703 20 0 DFADRP C[C@H]([NH2+]C[C@H](C1CC1)N(C)C)c1cccc(OCC[NH+](C)C)c1 ZINC000166237899 145234060 /nfs/dbraw/zinc/23/40/60/145234060.db2.gz YPQCOXGKVRZONJ-HNAYVOBHSA-N 2 0 319.493 2.618 20 0 DFADRP C[C@H]([NH2+]C[C@@H](C1CC1)N(C)C)c1cccc(OCC[NH+](C)C)c1 ZINC000166237676 145234553 /nfs/dbraw/zinc/23/45/53/145234553.db2.gz YPQCOXGKVRZONJ-KXBFYZLASA-N 2 0 319.493 2.618 20 0 DFADRP C[C@@H]([NH2+]C[C@H](C1CC1)N(C)C)c1cccc(OCC[NH+](C)C)c1 ZINC000166238020 145234776 /nfs/dbraw/zinc/23/47/76/145234776.db2.gz YPQCOXGKVRZONJ-DNVCBOLYSA-N 2 0 319.493 2.618 20 0 DFADRP C[C@@H]([NH3+])[C@H]1CCN(Cc2nc(-c3cccc(Cl)c3)no2)C1 ZINC000168612629 145244532 /nfs/dbraw/zinc/24/45/32/145244532.db2.gz PQHYUHNJCNPGNJ-PWSUYJOCSA-N 2 0 306.797 2.559 20 0 DFADRP COc1ccc(C2(C[NH2+]CCC[NH3+])CCCCC2)cc1OC ZINC000415094704 543328739 /nfs/dbraw/zinc/32/87/39/543328739.db2.gz XUCPDURHPWZIMQ-UHFFFAOYSA-N 2 0 306.450 2.844 20 0 DFADRP CC(C)C[NH+]1CCC(NC(=O)c2cccc(C[NH+](C)C)c2)CC1 ZINC000172614129 145309872 /nfs/dbraw/zinc/30/98/72/145309872.db2.gz MLDOHLCVJRBNIT-UHFFFAOYSA-N 2 0 317.477 2.598 20 0 DFADRP FC(F)(F)c1ccc2c(NC[C@@H]3COCC[NH2+]3)cc[nH+]c2c1 ZINC000630532911 399899400 /nfs/dbraw/zinc/89/94/00/399899400.db2.gz OCWVTBBGMIYCOR-LLVKDONJSA-N 2 0 311.307 2.654 20 0 DFADRP C[NH+]1CCN(c2cc[nH+]c(NCc3c(F)cccc3F)c2)CC1 ZINC000630962142 399954324 /nfs/dbraw/zinc/95/43/24/399954324.db2.gz WSCNFWITCMEEIU-UHFFFAOYSA-N 2 0 318.371 2.724 20 0 DFADRP Cn1nc2c(c1C[NH2+]Cc1cccc(C[NH+](C)C)c1)CCCC2 ZINC000631038073 399966869 /nfs/dbraw/zinc/96/68/69/399966869.db2.gz SBCDTJWCMUWEEQ-UHFFFAOYSA-N 2 0 312.461 2.650 20 0 DFADRP COc1cc(Cl)c(C[NH2+]CC2CC[NH+](C)CC2)cc1OC ZINC000631065407 399972954 /nfs/dbraw/zinc/97/29/54/399972954.db2.gz RNAZJNFFLMOJIQ-UHFFFAOYSA-N 2 0 312.841 2.789 20 0 DFADRP Cc1cc(C)c(/C=C\C[NH2+]CC2(O)CC[NH+](C)CC2)cc1C ZINC000631078738 399976197 /nfs/dbraw/zinc/97/61/97/399976197.db2.gz XGDFVUDESNCRHH-WAYWQWQTSA-N 2 0 302.462 2.671 20 0 DFADRP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1ccc(=O)[nH]c1 ZINC000631082864 399977194 /nfs/dbraw/zinc/97/71/94/399977194.db2.gz IQGYBSMQQZBVRL-YJBOKZPZSA-N 2 0 311.429 2.787 20 0 DFADRP CCC(O)(CC)C[N@H+](C)Cc1ccc(OCC[NH+](C)C)cc1 ZINC000628479719 400035813 /nfs/dbraw/zinc/03/58/13/400035813.db2.gz YHGGPELPGHSKER-UHFFFAOYSA-N 2 0 308.466 2.610 20 0 DFADRP c1nc(C2CC2)oc1C[NH+]1CCC(OCC[NH+]2CCCC2)CC1 ZINC000628185069 399998145 /nfs/dbraw/zinc/99/81/45/399998145.db2.gz KNEYWAWSZQHPKM-UHFFFAOYSA-N 2 0 319.449 2.629 20 0 DFADRP CC[NH+](CC)CCO[C@H]1CC[N@H+](C[C@]2(C)CCCS2)C1 ZINC000628186671 399998245 /nfs/dbraw/zinc/99/82/45/399998245.db2.gz SMHWMOGVUHPNMU-HOTGVXAUSA-N 2 0 300.512 2.705 20 0 DFADRP CC[C@@H]1C[C@H]([NH2+]C[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)CO1 ZINC000631194536 400000335 /nfs/dbraw/zinc/00/03/35/400000335.db2.gz LYTDIDYFRLNLGD-DSLXNQLJSA-N 2 0 302.462 2.912 20 0 DFADRP Cc1n[nH]c(C)c1C[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000631195835 400001266 /nfs/dbraw/zinc/00/12/66/400001266.db2.gz KNTHPZZGIUXPFM-KDOFPFPSSA-N 2 0 312.461 2.884 20 0 DFADRP Cc1ccc([C@@H](C)C[NH2+]CCN2CCC([NH+](C)C)CC2)cc1 ZINC000628233693 400005099 /nfs/dbraw/zinc/00/50/99/400005099.db2.gz QHFVFSIAUKPBSH-KRWDZBQOSA-N 2 0 303.494 2.714 20 0 DFADRP CC(C)OCC[NH2+]Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000631262580 400014954 /nfs/dbraw/zinc/01/49/54/400014954.db2.gz HZJKOFASRLGFCS-UHFFFAOYSA-N 2 0 306.450 2.676 20 0 DFADRP c1ccc2c(c1)CO[C@H](C[NH2+]C1CCN(c3cc[nH+]cc3)CC1)C2 ZINC000628383018 400028333 /nfs/dbraw/zinc/02/83/33/400028333.db2.gz RLSBLUVYXSPRQM-FQEVSTJZSA-N 2 0 323.440 2.782 20 0 DFADRP Cc1cccc2c1C[C@@H]([NH2+]C1CCN(c3cc[nH+]cc3)CC1)CO2 ZINC000628403719 400030490 /nfs/dbraw/zinc/03/04/90/400030490.db2.gz LUIMZHZKLGYDBR-QGZVFWFLSA-N 2 0 323.440 2.952 20 0 DFADRP COc1cccc2c1OCCC[C@H]2[NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000631566136 400052220 /nfs/dbraw/zinc/05/22/20/400052220.db2.gz LQYCFQYJOHRDAV-WMLDXEAASA-N 2 0 316.445 2.983 20 0 DFADRP COc1cccc2c1OCCC[C@@H]2[NH2+]C[C@@H]1CCC[N@H+](C)C1 ZINC000631578816 400054121 /nfs/dbraw/zinc/05/41/21/400054121.db2.gz ATUDOZYCWCSRIC-HOCLYGCPSA-N 2 0 304.434 2.840 20 0 DFADRP C([NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCCC2)[C@@H]1CCN1C1CCCC1 ZINC000631651917 400062126 /nfs/dbraw/zinc/06/21/26/400062126.db2.gz XXIJHJNJAWICQI-FJIDUMEYSA-N 2 0 304.478 2.941 20 0 DFADRP C[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+]CC[C@H](O)C(F)F)CC1 ZINC000631696891 400067868 /nfs/dbraw/zinc/06/78/68/400067868.db2.gz ILRRNUIPJRJVHW-YUELXQCFSA-N 2 0 304.425 2.635 20 0 DFADRP Cc1ccc(C[NH+]2CC[C@H](N[C@H]3CC[N@H+](C)[C@H](C)C3)C2)cc1 ZINC000631749937 400072241 /nfs/dbraw/zinc/07/22/41/400072241.db2.gz YBQKFDARVRYHOF-NEWSRXKRSA-N 2 0 301.478 2.642 20 0 DFADRP CC(C)[C@H]1CN([C@H]2C[NH+](Cc3ccccc3)C[C@H]2C)CC[N@@H+]1C ZINC000631794098 400075766 /nfs/dbraw/zinc/07/57/66/400075766.db2.gz RMGGTNJQOOVMQP-RLLQIKCJSA-N 2 0 315.505 2.779 20 0 DFADRP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCC[N@H+](C[C@H]3CCC(F)(F)C3)C2)C1 ZINC000631828890 400078151 /nfs/dbraw/zinc/07/81/51/400078151.db2.gz AVZNEYGAVFXZES-YJNKXOJESA-N 2 0 302.409 2.640 20 0 DFADRP Cc1cc(C)c(C[NH+]2CCC([C@@H]3C[C@H]([NH3+])CCO3)CC2)c(C)n1 ZINC000631828350 400078191 /nfs/dbraw/zinc/07/81/91/400078191.db2.gz MKUWGEFUPBMBDV-MJGOQNOKSA-N 2 0 317.477 2.725 20 0 DFADRP CC[NH+](CC)CCOCC[NH2+][C@@H]1CCc2c1cccc2OC ZINC000349660930 285909797 /nfs/dbraw/zinc/90/97/97/285909797.db2.gz DFKWUESFXYCGJO-QGZVFWFLSA-N 2 0 306.450 2.631 20 0 DFADRP C[NH+]1CCC(C)(C[NH2+]Cc2c[nH]nc2-c2cccs2)CC1 ZINC000227329459 146005611 /nfs/dbraw/zinc/00/56/11/146005611.db2.gz KARFRORQIPVKAG-UHFFFAOYSA-N 2 0 304.463 2.960 20 0 DFADRP COC[C@@H](CCC[NH3+])[NH2+][C@@H](C)c1cccc(OC(F)F)c1 ZINC000234741522 146018016 /nfs/dbraw/zinc/01/80/16/146018016.db2.gz BFVDGIHAESBAJN-WCQYABFASA-N 2 0 302.365 2.693 20 0 DFADRP CCCC[C@@H]([NH3+])C(=O)NC[C@@H](c1ccc(C)cc1)[NH+]1CCCC1 ZINC000236764947 146025451 /nfs/dbraw/zinc/02/54/51/146025451.db2.gz DQLGMQDFAZSRRB-MSOLQXFVSA-N 2 0 317.477 2.766 20 0 DFADRP CCN(CCCNC(=O)C(CC)(CC)C[NH3+])c1ccccc1 ZINC000236845419 146030577 /nfs/dbraw/zinc/03/05/77/146030577.db2.gz AVQQPDRCAWKCRL-UHFFFAOYSA-N 2 0 305.466 2.784 20 0 DFADRP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@@H+]2CCOC1CCCCCC1 ZINC000441259431 543355001 /nfs/dbraw/zinc/35/50/01/543355001.db2.gz DOWYRFGEMXNVHD-BHIYHBOVSA-N 2 0 324.509 2.909 20 0 DFADRP C[C@H](C[NH2+][C@@H]1CCCN(Cc2ccccc2)C1)C[NH+]1CCCC1 ZINC000237606494 146047761 /nfs/dbraw/zinc/04/77/61/146047761.db2.gz AFCQBEKSEJWGIV-UYAOXDASSA-N 2 0 315.505 2.973 20 0 DFADRP c1ccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@@H]([NH2+]C[C@@H]2CCCO2)C3)cc1 ZINC000245784378 146102943 /nfs/dbraw/zinc/10/29/43/146102943.db2.gz ZIVJNZVFJWCHRS-RDGPPVDQSA-N 2 0 300.446 2.951 20 0 DFADRP C[C@@H](C(=O)NCCCC[N@@H+]1CCC[C@H](C)C1)[NH+]1CCCCCC1 ZINC000246097261 146119860 /nfs/dbraw/zinc/11/98/60/146119860.db2.gz AWPIJLDLTXAIJP-ROUUACIJSA-N 2 0 323.525 2.879 20 0 DFADRP C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000246289648 146136508 /nfs/dbraw/zinc/13/65/08/146136508.db2.gz KSRXYVPEWIMOJJ-RHSMWYFYSA-N 2 0 318.465 2.552 20 0 DFADRP COc1cccc(N2CC[C@H](C[NH2+][C@@H]3CC[N@H+](C)[C@H](C)C3)C2)c1 ZINC000247075490 146160591 /nfs/dbraw/zinc/16/05/91/146160591.db2.gz QLHMAVREELRQGM-BRWVUGGUSA-N 2 0 317.477 2.594 20 0 DFADRP C[C@@H]1C[N@@H+](CC2CC[NH+](C[C@H]3CCC=CO3)CC2)C[C@H](C)O1 ZINC000248995518 146181020 /nfs/dbraw/zinc/18/10/20/146181020.db2.gz OURSFYVGURDQDD-SOLBZPMBSA-N 2 0 308.466 2.500 20 0 DFADRP FC(F)COCC[NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]12 ZINC000249032359 146182664 /nfs/dbraw/zinc/18/26/64/146182664.db2.gz LTLXIWDBRLAGHY-BRWVUGGUSA-N 2 0 324.415 2.768 20 0 DFADRP CCO[C@@H]1C[C@H]([NH2+]C[C@H]2CCC[N@@H+](C(C)C)C2)C12CCOCC2 ZINC000249034908 146183650 /nfs/dbraw/zinc/18/36/50/146183650.db2.gz TXBQMSOKKWMWIX-FGTMMUONSA-N 2 0 324.509 2.671 20 0 DFADRP C[C@@H]1CN(Cc2ccccc2)C[C@H]1[NH2+][C@H](CO)Cc1ccccc1 ZINC000249399887 146196841 /nfs/dbraw/zinc/19/68/41/146196841.db2.gz UTOYLVAFHCISCS-JRGCBEDISA-N 2 0 324.468 2.700 20 0 DFADRP C[C@@H](C(=O)N1[C@H](C)CCC[C@@H]1C)[NH+]1CCC(CC[NH+](C)C)CC1 ZINC000249687584 146203704 /nfs/dbraw/zinc/20/37/04/146203704.db2.gz LEMKIBDDNSSTKE-BBWFWOEESA-N 2 0 323.525 2.828 20 0 DFADRP C[C@@H](C(=O)NCCCC[N@@H+]1CCC[C@@H](C)C1)[NH+]1[C@@H](C)CC[C@@H]1C ZINC000249763431 146205268 /nfs/dbraw/zinc/20/52/68/146205268.db2.gz XZZLFZOWMGYSLY-OWSLCNJRSA-N 2 0 323.525 2.876 20 0 DFADRP C[C@H]1C[NH+](CC2CC[NH+](Cc3cccc(N)c3)CC2)C[C@H](C)O1 ZINC000261616955 146246946 /nfs/dbraw/zinc/24/69/46/146246946.db2.gz BHKHSKZTASBMPU-HOTGVXAUSA-N 2 0 317.477 2.590 20 0 DFADRP [NH3+][C@H]1C[C@H]([NH2+]C2CCN(c3ccccn3)CC2)c2ccccc21 ZINC000261613508 146247364 /nfs/dbraw/zinc/24/73/64/146247364.db2.gz BIZKJAFGXMJRRE-ROUUACIJSA-N 2 0 308.429 2.785 20 0 DFADRP C[C@@]1(C[NH3+])CC[N@H+](CCOc2ccc(OC(F)(F)F)cc2)C1 ZINC000261622741 146248311 /nfs/dbraw/zinc/24/83/11/146248311.db2.gz DMORHIBLNBXPHT-AWEZNQCLSA-N 2 0 318.339 2.635 20 0 DFADRP CCOc1ccccc1OCC[NH+]1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000261650600 146253957 /nfs/dbraw/zinc/25/39/57/146253957.db2.gz FCTRTCVKSXNRIC-KRWDZBQOSA-N 2 0 318.461 2.928 20 0 DFADRP C[NH2+]CCC1CC[NH+](Cc2ccc(OC)c(OC)c2OC)CC1 ZINC000261671555 146258733 /nfs/dbraw/zinc/25/87/33/146258733.db2.gz HGZGQGQAQIACOX-UHFFFAOYSA-N 2 0 322.449 2.534 20 0 DFADRP CCN(CC(=O)Nc1c(C)cccc1C)C[C@@]1(C)CC[NH2+]C1 ZINC000261695425 146260652 /nfs/dbraw/zinc/26/06/52/146260652.db2.gz BFGNLRBPUHJGJP-SFHVURJKSA-N 2 0 303.450 2.563 20 0 DFADRP C[C@@]1(C[NH3+])CCN(CC(=O)Nc2ccc(Cl)c(Cl)c2)C1 ZINC000261694140 146261189 /nfs/dbraw/zinc/26/11/89/146261189.db2.gz HTWNXAOMVJUUQE-AWEZNQCLSA-N 2 0 316.232 2.603 20 0 DFADRP [NH3+][C@@H]1CCCCCC[C@@H]1C(=O)Nc1ccc2c(c1F)CC[NH2+]C2 ZINC000261738295 146268122 /nfs/dbraw/zinc/26/81/22/146268122.db2.gz NQSAUFXYDKTMIZ-LSDHHAIUSA-N 2 0 319.424 2.708 20 0 DFADRP C[NH2+]CCC1CC[NH+](Cc2cc(=O)oc3cc(C)ccc23)CC1 ZINC000261740125 146268998 /nfs/dbraw/zinc/26/89/98/146268998.db2.gz NVKCQXHVYPBIOD-UHFFFAOYSA-N 2 0 314.429 2.923 20 0 DFADRP c1csc(C[N@@H+](C[C@H]2CCSC2)[C@@H]2CC23CC[NH2+]CC3)n1 ZINC000261762740 146272051 /nfs/dbraw/zinc/27/20/51/146272051.db2.gz DDRZKTHZZWYJLQ-ZIAGYGMSSA-N 2 0 323.531 2.840 20 0 DFADRP CC[C@H](c1ccc(Cl)cc1)[N@@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000261772103 146273513 /nfs/dbraw/zinc/27/35/13/146273513.db2.gz WEQJVOCDZYSSLM-DLBZAZTESA-N 2 0 307.869 2.771 20 0 DFADRP Cc1ncsc1C[N@H+](C[C@@H]1CC[NH2+]C1)C[C@H]1CCSC1 ZINC000261773889 146274862 /nfs/dbraw/zinc/27/48/62/146274862.db2.gz DWMPHOOYHGCILN-ZIAGYGMSSA-N 2 0 311.520 2.616 20 0 DFADRP [NH3+][C@@H]1CC[C@H]2C[N@H+](Cc3cccc(OC(F)(F)F)c3)C[C@H]12 ZINC000261773619 146275198 /nfs/dbraw/zinc/27/51/98/146275198.db2.gz WFDPWWWRSOESFJ-FPMFFAJLSA-N 2 0 300.324 2.754 20 0 DFADRP Cc1nc(C)c(C[N@@H+]2C[C@@H](C[NH3+])[C@H](c3ccccc3)C2)s1 ZINC000261816867 146281875 /nfs/dbraw/zinc/28/18/75/146281875.db2.gz RXFOKGOCBBEGAU-CVEARBPZSA-N 2 0 301.459 2.934 20 0 DFADRP CC(C)c1cccc(NC(=O)CN2CCC[C@@H]([C@@H](C)[NH3+])C2)c1 ZINC000261821858 146283091 /nfs/dbraw/zinc/28/30/91/146283091.db2.gz ASRIMTYLNZGTCO-GDBMZVCRSA-N 2 0 303.450 2.808 20 0 DFADRP CC[C@H]1C[N@H+](CC2CC[NH2+]CC2)CCN1Cc1ccccc1 ZINC000261831446 146284942 /nfs/dbraw/zinc/28/49/42/146284942.db2.gz JBBKULZBZYVLPK-IBGZPJMESA-N 2 0 301.478 2.582 20 0 DFADRP C[C@@H]([NH3+])C1CC[NH+](CC(=O)N[C@@H](C)c2ccccc2Cl)CC1 ZINC000261927457 146304683 /nfs/dbraw/zinc/30/46/83/146304683.db2.gz IZEBJHPJOPOHFG-OLZOCXBDSA-N 2 0 323.868 2.576 20 0 DFADRP CC[C@H]1CN(C[C@H]2CCC[NH2+]C2)CC[N@@H+]1Cc1ccccc1 ZINC000261954899 146308438 /nfs/dbraw/zinc/30/84/38/146308438.db2.gz OLOLVOMQUFAIRX-OALUTQOASA-N 2 0 301.478 2.582 20 0 DFADRP C[C@H](C[NH2+][C@@H]1CCC[C@H]1[C@H]1COCCN1)c1ccc(F)cc1 ZINC000261952233 146309121 /nfs/dbraw/zinc/30/91/21/146309121.db2.gz OMGRSSCKCSJROX-BNEJOLLZSA-N 2 0 306.425 2.676 20 0 DFADRP COc1ccc(C[N@H+](CC2CC2)C[C@H]2CCC[NH2+]C2)c(OC)c1 ZINC000261959795 146310060 /nfs/dbraw/zinc/31/00/60/146310060.db2.gz PCKAPSNUCZHCCB-INIZCTEOSA-N 2 0 318.461 2.915 20 0 DFADRP C[NH2+]CC1CC[NH+](Cc2nc3ccc(OC)cc3s2)CC1 ZINC000261968458 146311779 /nfs/dbraw/zinc/31/17/79/146311779.db2.gz QBSHYILZKSCISF-UHFFFAOYSA-N 2 0 305.447 2.736 20 0 DFADRP Cc1nc2ccccc2n1C1CC[NH+](C[C@@]2(C)CC[NH2+]C2)CC1 ZINC000261981745 146315983 /nfs/dbraw/zinc/31/59/83/146315983.db2.gz JGEXIUKVCDQVLA-IBGZPJMESA-N 2 0 312.461 2.981 20 0 DFADRP COc1ccc(OCC[NH+]2CCC([C@@H]3CCC[NH2+]3)CC2)cc1 ZINC000262031496 146324715 /nfs/dbraw/zinc/32/47/15/146324715.db2.gz YVCCPAZSEHSNCC-SFHVURJKSA-N 2 0 304.434 2.538 20 0 DFADRP C[N@H+](Cc1ccc(OC[C@@H]2CCCO2)cc1)[C@@H]1CCC[NH2+]CC1 ZINC000262073030 146330850 /nfs/dbraw/zinc/33/08/50/146330850.db2.gz CUNPOXCDTVVTIU-MJGOQNOKSA-N 2 0 318.461 2.818 20 0 DFADRP C[C@H]([NH3+])[C@@H]1CCC[N@H+](Cc2ccc(OC[C@H]3CCCO3)cc2)C1 ZINC000262120512 146335343 /nfs/dbraw/zinc/33/53/43/146335343.db2.gz MBDQVWCGKYLDHO-KVSKMBFKSA-N 2 0 318.461 2.804 20 0 DFADRP c1cc(-c2n[nH]cc2C[N@@H+]2CCC3(C2)CC[NH2+]CC3)cs1 ZINC000262115732 146336141 /nfs/dbraw/zinc/33/61/41/146336141.db2.gz WWJZXXOCACMPBO-UHFFFAOYSA-N 2 0 302.447 2.714 20 0 DFADRP [NH3+]CC[C@@H]1CCC[N@H+](Cc2ccc(OC[C@@H]3CCCO3)cc2)C1 ZINC000262170090 146339844 /nfs/dbraw/zinc/33/98/44/146339844.db2.gz VAFNBIWCDCLYRQ-LPHOPBHVSA-N 2 0 318.461 2.805 20 0 DFADRP C[C@H]([NH3+])C1CC[NH+](CCOc2ccc(F)cc2Cl)CC1 ZINC000262184252 146341208 /nfs/dbraw/zinc/34/12/08/146341208.db2.gz XHIUJAXMRMQSCN-NSHDSACASA-N 2 0 300.805 2.917 20 0 DFADRP c1cc(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)cc2c1OCO2 ZINC000262322427 146351128 /nfs/dbraw/zinc/35/11/28/146351128.db2.gz RHJLICVKGGYPIB-OWCLPIDISA-N 2 0 302.418 2.816 20 0 DFADRP c1cc(CC[NH+]2CCC([C@@H]3CCC[NH2+]3)CC2)cc2c1OCC2 ZINC000262385273 146355551 /nfs/dbraw/zinc/35/55/51/146355551.db2.gz ZDSLQMUSYPVRKH-SFHVURJKSA-N 2 0 300.446 2.628 20 0 DFADRP Cc1cccc(N2CC[NH+](C[C@@H]3CC[NH2+][C@@H](C)C3)CC2)c1C ZINC000262413986 146357918 /nfs/dbraw/zinc/35/79/18/146357918.db2.gz DJSTZOXHLJFFBD-FUHWJXTLSA-N 2 0 301.478 2.814 20 0 DFADRP [NH3+][C@@H]1CC[C@H]2CN(Cc3nc(-c4ccc(Cl)cc4)no3)C[C@H]12 ZINC000262519812 146366688 /nfs/dbraw/zinc/36/66/88/146366688.db2.gz NYAACSBVAMDZMC-FPMFFAJLSA-N 2 0 318.808 2.559 20 0 DFADRP C[C@H](C[NH2+]Cc1ccc(C2CC2)cc1)CN1CC[NH+](C)CC1 ZINC000459401554 543393099 /nfs/dbraw/zinc/39/30/99/543393099.db2.gz DGRIUINGYNBAID-MRXNPFEDSA-N 2 0 301.478 2.537 20 0 DFADRP CCCOc1ccc(OCC[N@@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)cc1 ZINC000262560879 146371445 /nfs/dbraw/zinc/37/14/45/146371445.db2.gz VLLFYPTWBQUWIB-JCGIZDLHSA-N 2 0 304.434 2.523 20 0 DFADRP CC(C)c1cccc(NC(=O)CN(C)[C@H]2CCC[NH2+]CC2)c1 ZINC000262578598 146374150 /nfs/dbraw/zinc/37/41/50/146374150.db2.gz YPUFRUBDOBKAOM-KRWDZBQOSA-N 2 0 303.450 2.822 20 0 DFADRP CCC[C@](C)([NH3+])C(=O)NC[C@@H](c1ccsc1)[NH+](CC)CC ZINC000262703673 146382808 /nfs/dbraw/zinc/38/28/08/146382808.db2.gz KOSNFTUGWHRSKD-HOCLYGCPSA-N 2 0 311.495 2.765 20 0 DFADRP Cc1ccc(C[NH+](C)C)cc1NC(=O)[C@@H]1CCCC[C@]1(C)[NH3+] ZINC000262692975 146382902 /nfs/dbraw/zinc/38/29/02/146382902.db2.gz ARIJIOGJNXNOGU-YJBOKZPZSA-N 2 0 303.450 2.903 20 0 DFADRP C[C@@H]([NH2+]C(C)(C)CNC(=O)c1coc(C[NH3+])c1)c1ccccc1 ZINC000262793387 146388787 /nfs/dbraw/zinc/38/87/87/146388787.db2.gz OZYSYNCAEBUYDI-CYBMUJFWSA-N 2 0 315.417 2.598 20 0 DFADRP CC[NH+]1CCC(CC[NH2+][C@@H]2CC[C@@H](CC(=O)OC)[C@H]2C)CC1 ZINC000354462472 147049418 /nfs/dbraw/zinc/04/94/18/147049418.db2.gz NNNSGTUJEUDANY-HYVNUMGLSA-N 2 0 310.482 2.676 20 0 DFADRP CC[N@@H+]1CC[C@H]([NH+](C)C[C@H](O)COc2cccc(C)c2)C[C@@H]1C ZINC000354533408 147070627 /nfs/dbraw/zinc/07/06/27/147070627.db2.gz COOBCLWNUYLOEB-BZSNNMDCSA-N 2 0 320.477 2.539 20 0 DFADRP CC(C)n1nccc1C[NH2+]Cc1ccc(C[NH+](C)C)c(F)c1 ZINC000354554581 147077185 /nfs/dbraw/zinc/07/71/85/147077185.db2.gz YZUFLKGJEWUUOM-UHFFFAOYSA-N 2 0 304.413 2.955 20 0 DFADRP CCC[NH+]1CCC(CNC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)CC1 ZINC000354763383 147141605 /nfs/dbraw/zinc/14/16/05/147141605.db2.gz QACHARQOSCUYFV-GOSISDBHSA-N 2 0 323.525 2.735 20 0 DFADRP CCC(C)(C)[NH2+][C@H](C)C(=O)NC[C@@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC000355646154 147395133 /nfs/dbraw/zinc/39/51/33/147395133.db2.gz FCDZEIYFRZINAH-IIDMSEBBSA-N 2 0 311.514 2.780 20 0 DFADRP CC[NH+](CC)CCO[C@@H]1CC[N@H+](CCOc2ccc(F)cc2)C1 ZINC000350200924 286018664 /nfs/dbraw/zinc/01/86/64/286018664.db2.gz CVTHLWYGFZSSSZ-GOSISDBHSA-N 2 0 324.440 2.637 20 0 DFADRP CCCCNC(=O)c1ccc(C[NH2+][C@H]2CC[N@H+](C)C[C@H]2C)cc1 ZINC000358000078 148205553 /nfs/dbraw/zinc/20/55/53/148205553.db2.gz BISRTLHJTKARRB-QAPCUYQASA-N 2 0 317.477 2.646 20 0 DFADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CCOC2CCCC2)[C@@H](C)C1 ZINC000358016754 148214393 /nfs/dbraw/zinc/21/43/93/148214393.db2.gz HLDHBOYJRWONFG-FUHWJXTLSA-N 2 0 312.498 2.672 20 0 DFADRP COc1cc2c(cc1OC)[C@@H]([NH+]1CCC(C[NH+](C)C)CC1)CC2 ZINC000637907948 543494392 /nfs/dbraw/zinc/49/43/92/543494392.db2.gz VUOWZOKJSGOMKC-KRWDZBQOSA-N 2 0 318.461 2.965 20 0 DFADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@H](C)[C@@H]1CCC[NH+](C2CCC2)C1 ZINC000358103364 148244398 /nfs/dbraw/zinc/24/43/98/148244398.db2.gz KJWOVWUXCKOLKC-JFIYKMOQSA-N 2 0 321.509 2.630 20 0 DFADRP C[C@@H]1C[C@H]([NH2+]Cc2ccc(OC[C@@H]3CCCO3)cc2)CC[N@@H+]1C ZINC000358104808 148246345 /nfs/dbraw/zinc/24/63/45/148246345.db2.gz YYIKXNQIFMTOQE-SUMDDJOVSA-N 2 0 318.461 2.817 20 0 DFADRP [NH3+]Cc1ccc(C(=O)NC2CC[NH+](CC3CCCC3)CC2)cc1 ZINC000358115428 148249246 /nfs/dbraw/zinc/24/92/46/148249246.db2.gz CBNPHHYEBDIQSB-UHFFFAOYSA-N 2 0 315.461 2.530 20 0 DFADRP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]CCCOc1cccc2cccnc21 ZINC000358140369 148257734 /nfs/dbraw/zinc/25/77/34/148257734.db2.gz MWBVWRVUDYHBHM-NVXWUHKLSA-N 2 0 313.445 2.934 20 0 DFADRP C[C@@H](NC[C@]1(O)CC[N@H+](C)C1)c1cc(F)c(Cl)cc1Cl ZINC000358265312 148311069 /nfs/dbraw/zinc/31/10/69/148311069.db2.gz ZNNFWIAYOVJXLC-YMTOWFKASA-N 2 0 321.223 2.850 20 0 DFADRP COc1ccc(OC)c(CCC[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000358366945 148343122 /nfs/dbraw/zinc/34/31/22/148343122.db2.gz LJNCNAURCIFYFW-SJORKVTESA-N 2 0 318.461 2.853 20 0 DFADRP Cc1c(Cl)cccc1NC(=O)C[N@@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000358502484 148380469 /nfs/dbraw/zinc/38/04/69/148380469.db2.gz BZBTYDBMPGGOMK-UHFFFAOYSA-N 2 0 321.852 2.662 20 0 DFADRP Cc1ccc(NC(=O)C[N@@H+]2CCC3(C2)CC[NH2+]CC3)cc1Cl ZINC000358521858 148381869 /nfs/dbraw/zinc/38/18/69/148381869.db2.gz YUYMWBHDTXMRBA-UHFFFAOYSA-N 2 0 321.852 2.662 20 0 DFADRP CCC[N@H+](C)CC(=O)NC[C@H](c1ccccc1)[NH+](CC)CC ZINC000358569318 148388242 /nfs/dbraw/zinc/38/82/42/148388242.db2.gz VPGZMJBGSUNYDA-QGZVFWFLSA-N 2 0 305.466 2.528 20 0 DFADRP C[C@H]([NH2+]CCc1ccc(OCC[NH+](C)C)cc1)c1ccncc1 ZINC000350513133 286053858 /nfs/dbraw/zinc/05/38/58/286053858.db2.gz KDCVATZDGNYXDI-INIZCTEOSA-N 2 0 313.445 2.915 20 0 DFADRP C[C@@H]1CCCC[N@@H+]1CCC1CC[NH+](C[C@]2(O)CCCOC2)CC1 ZINC000660006764 543524414 /nfs/dbraw/zinc/52/44/14/543524414.db2.gz UGGKCUXQUBJNSC-IEBWSBKVSA-N 2 0 324.509 2.504 20 0 DFADRP CCO[C@@H]1C[C@H]([NH2+]C2CC[NH+]([C@@H]3CCCC[C@H]3C)CC2)[C@H]1OC ZINC000361170258 149045543 /nfs/dbraw/zinc/04/55/43/149045543.db2.gz YCUADSVLDPLHBY-RSRPTUBKSA-N 2 0 324.509 2.812 20 0 DFADRP Cc1ccc(C[NH+](C)C)cc1NC(=O)C[N@H+]1[C@H](C)CC[C@@H]1C ZINC000361205543 149054200 /nfs/dbraw/zinc/05/42/00/149054200.db2.gz ITWYWCXGVOTBCC-GASCZTMLSA-N 2 0 303.450 2.868 20 0 DFADRP CSC(C)(C)C[NH2+][C@@H]1CC[N@H+](C[C@@H]2CCCO2)C[C@H]1C ZINC000361240717 149063250 /nfs/dbraw/zinc/06/32/50/149063250.db2.gz QNRWSIHZMYYKSZ-QLFBSQMISA-N 2 0 300.512 2.607 20 0 DFADRP C[C@@H]1C[N@H+](C)C[C@@H]1c1nc(-c2ccc(F)c(C[NH+](C)C)c2)no1 ZINC000361259984 149069416 /nfs/dbraw/zinc/06/94/16/149069416.db2.gz FFFXGPIHMJWJTH-RISCZKNCSA-N 2 0 318.396 2.602 20 0 DFADRP C[C@H]1C[N@H+](C)C[C@@H]1c1nc(-c2ccc(F)c(C[NH+](C)C)c2)no1 ZINC000361259982 149069492 /nfs/dbraw/zinc/06/94/92/149069492.db2.gz FFFXGPIHMJWJTH-FZMZJTMJSA-N 2 0 318.396 2.602 20 0 DFADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@@]1(C)CCOC1 ZINC000361398393 149105029 /nfs/dbraw/zinc/10/50/29/149105029.db2.gz SZSGDEUAGUIOEZ-BHIYHBOVSA-N 2 0 302.462 2.913 20 0 DFADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]CCC2CCOCC2)[C@H](C)C1 ZINC000361482886 149127402 /nfs/dbraw/zinc/12/74/02/149127402.db2.gz BOGIFNMWQSUXGW-AEFFLSMTSA-N 2 0 312.498 2.530 20 0 DFADRP CCC[C@@](C)([NH3+])C(=O)NC1CC[NH+](CC2CCCCC2)CC1 ZINC000361729369 149203551 /nfs/dbraw/zinc/20/35/51/149203551.db2.gz RPRWRULRAZQHDG-GOSISDBHSA-N 2 0 309.498 2.665 20 0 DFADRP C[C@H]([NH2+][C@@H]1CCN(C)[C@H](C)C1)c1cccc(OCC[NH+](C)C)c1 ZINC000361765720 149212517 /nfs/dbraw/zinc/21/25/17/149212517.db2.gz PYLNDERVCZWBNA-SOLBZPMBSA-N 2 0 319.493 2.760 20 0 DFADRP C[C@H]([NH2+][C@H]1CCN(C)[C@H](C)C1)c1ccc(OCC[NH+](C)C)cc1 ZINC000361770600 149215629 /nfs/dbraw/zinc/21/56/29/149215629.db2.gz VWNUDRUDCJZUNU-RYRKJORJSA-N 2 0 319.493 2.760 20 0 DFADRP CC(C)Oc1ccc([C@@H](C)[NH2+]CC2(O)CC[NH+](C)CC2)cc1 ZINC000361884784 149245972 /nfs/dbraw/zinc/24/59/72/149245972.db2.gz FVCZQEWIHKJDOJ-OAHLLOKOSA-N 2 0 306.450 2.581 20 0 DFADRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H]2C[C@@H](OC)C2(C)C)[C@H](C)C1 ZINC000361928919 149257954 /nfs/dbraw/zinc/25/79/54/149257954.db2.gz XRKCPFWHNOAWFM-YYIAUSFCSA-N 2 0 312.498 2.527 20 0 DFADRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H]2CC[C@H]2SC)[C@H](C)C1 ZINC000361937497 149259963 /nfs/dbraw/zinc/25/99/63/149259963.db2.gz IUBDHZNIFPFROL-QKPAOTATSA-N 2 0 300.512 2.607 20 0 DFADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]C[C@@]2(C)CCCS2)[C@H](C)C1 ZINC000361973462 149268895 /nfs/dbraw/zinc/26/88/95/149268895.db2.gz XPDSCGZYJTZASW-IXDOHACOSA-N 2 0 314.539 2.999 20 0 DFADRP C[NH+](C)CCCN(CCC[NH+](C)C)c1nc2c(cccc2F)o1 ZINC000362647171 149333925 /nfs/dbraw/zinc/33/39/25/149333925.db2.gz ABTOJVQKQCIJLC-UHFFFAOYSA-N 2 0 322.428 2.677 20 0 DFADRP CCc1ccccc1NC(=O)[C@@H](C)[NH+]1CCC(C[NH+](C)C)CC1 ZINC000350950486 286101574 /nfs/dbraw/zinc/10/15/74/286101574.db2.gz NBFMBATVCYWISL-OAHLLOKOSA-N 2 0 317.477 2.850 20 0 DFADRP CCc1ccccc1NC(=O)[C@H](C)[NH+]1CCC(C[NH+](C)C)CC1 ZINC000350950485 286101633 /nfs/dbraw/zinc/10/16/33/286101633.db2.gz NBFMBATVCYWISL-HNNXBMFYSA-N 2 0 317.477 2.850 20 0 DFADRP CC[NH+](CC)CCOCC[NH2+]Cc1cc2ccc(F)cc2[nH]1 ZINC000362914978 149395930 /nfs/dbraw/zinc/39/59/30/149395930.db2.gz XKKUWTIMSOVORC-UHFFFAOYSA-N 2 0 307.413 2.755 20 0 DFADRP CC[NH+](CC)CCOC1CC[NH+]([C@@H](C)c2ccccn2)CC1 ZINC000493131247 299721625 /nfs/dbraw/zinc/72/16/25/299721625.db2.gz JDBITGUHIANCJS-INIZCTEOSA-N 2 0 305.466 2.965 20 0 DFADRP [NH3+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccc(OCc4ccccn4)cc3)C[C@H]12 ZINC000351472615 286129026 /nfs/dbraw/zinc/12/90/26/286129026.db2.gz BERNSEDTYUPQIG-LSTHTHJFSA-N 2 0 323.440 2.830 20 0 DFADRP [NH3+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3OCC(F)(F)F)C[C@@H]12 ZINC000351475504 286129395 /nfs/dbraw/zinc/12/93/95/286129395.db2.gz IMTRRZKGHNROAB-MRVWCRGKSA-N 2 0 314.351 2.797 20 0 DFADRP Cc1ccc(CC[N@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@@H]32)cc1 ZINC000371295589 150017918 /nfs/dbraw/zinc/01/79/18/150017918.db2.gz SRRJBLBZCWWKMD-GBESFXJTSA-N 2 0 302.462 2.721 20 0 DFADRP c1[nH]c(-c2ccccc2)nc1CN1C[C@@H]2C[N@@H+]3CCCC[C@@H]3[C@@H]2C1 ZINC000371402791 150040928 /nfs/dbraw/zinc/04/09/28/150040928.db2.gz BQMWAMKGOBUAKB-BHIYHBOVSA-N 2 0 322.456 2.993 20 0 DFADRP C[C@@H](c1cccc(F)c1)[N@H+](C)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000371425904 150045196 /nfs/dbraw/zinc/04/51/96/150045196.db2.gz VHWDRUTVIQPGJK-KXBFYZLASA-N 2 0 319.468 2.987 20 0 DFADRP CN1CC[NH+](CC2(C)CC[NH+](C[C@@H]3CC=CCC3)CC2)CC1 ZINC000371869237 150105768 /nfs/dbraw/zinc/10/57/68/150105768.db2.gz FKLLJJQHLRWUHE-GOSISDBHSA-N 2 0 305.510 2.692 20 0 DFADRP Cc1ccc(C[NH+](C)C)cc1NC(=O)[C@@H]1C[C@H]2CCCC[N@@H+]2C1 ZINC000371879689 150109103 /nfs/dbraw/zinc/10/91/03/150109103.db2.gz JYQFKQQGLIZVAK-IAGOWNOFSA-N 2 0 315.461 2.870 20 0 DFADRP C[N@@H+]1CC[C@@H](CNC(=O)C2([NH3+])CCCCC2)[C@@H]1c1cccs1 ZINC000372097819 150137053 /nfs/dbraw/zinc/13/70/53/150137053.db2.gz CYEBOEJKDQHZOK-DZGCQCFKSA-N 2 0 321.490 2.519 20 0 DFADRP Cc1cnn(CC2CC[NH+](CC[C@H]3CCCC[N@H+]3C)CC2)c1 ZINC000351598059 286164666 /nfs/dbraw/zinc/16/46/66/286164666.db2.gz MZGGHCTZCTUOMA-GOSISDBHSA-N 2 0 304.482 2.778 20 0 DFADRP C[N@@H+]1CCCC[C@@H]1CC[NH+]1CCC[C@H](CNC(=O)C(C)(C)C)C1 ZINC000351599263 286165060 /nfs/dbraw/zinc/16/50/60/286165060.db2.gz WISHUMDULWFQOW-IAGOWNOFSA-N 2 0 323.525 2.735 20 0 DFADRP CC1(C)Cc2cc(C[NH2+]C[C@H]3CCn4ccnc4C3)ccc2O1 ZINC000373063863 150225019 /nfs/dbraw/zinc/22/50/19/150225019.db2.gz QWYNCZCVENBZEQ-HNNXBMFYSA-N 2 0 311.429 2.949 20 0 DFADRP CCOC(=O)[C@]1(C(C)C)CC[N@H+](CC[C@@H]2CCCC[NH+]2C)C1 ZINC000373183214 150243092 /nfs/dbraw/zinc/24/30/92/150243092.db2.gz OUKGZSFBHZQROD-FUHWJXTLSA-N 2 0 310.482 2.772 20 0 DFADRP COc1ccc(C[N@@H+]2CC[C@@H](CNc3cc(C)cc[nH+]3)C2)nc1 ZINC000373224305 150251270 /nfs/dbraw/zinc/25/12/70/150251270.db2.gz SAALTLQIIWGVLD-HNNXBMFYSA-N 2 0 312.417 2.728 20 0 DFADRP CC[C@H](C)NC(=[NH2+])NC[C@@]1(C)CC[N@H+](Cc2ccccc2)C1 ZINC000374006041 150290992 /nfs/dbraw/zinc/29/09/92/150290992.db2.gz ODZCXUIKYYGASA-MAUKXSAKSA-N 2 0 302.466 2.811 20 0 DFADRP O=C(CN1CCC(c2c[nH]cn2)CC1)Nc1cccc(Cl)c1 ZINC000374209377 150323549 /nfs/dbraw/zinc/32/35/49/150323549.db2.gz PYDHZMANTPQTNI-UHFFFAOYSA-N 2 0 318.808 2.881 20 0 DFADRP c1cncc([C@@H]2CCC[C@@H]([NH2+]CCCC[NH+]3CCOCC3)C2)c1 ZINC000374304377 150341390 /nfs/dbraw/zinc/34/13/90/150341390.db2.gz YKMROYQMOGLSLH-IEBWSBKVSA-N 2 0 317.477 2.810 20 0 DFADRP C[N@H+](CCNC(=O)CC[C@@H]1CCCC[NH+]1C)C1CCCCC1 ZINC000351636591 286177313 /nfs/dbraw/zinc/17/73/13/286177313.db2.gz PMRLEIVSHNWONP-KRWDZBQOSA-N 2 0 309.498 2.632 20 0 DFADRP CC(C)[C@@H](C)NC(=O)C1CC[NH+](CC[C@H]2CCCC[N@@H+]2C)CC1 ZINC000351641082 286178808 /nfs/dbraw/zinc/17/88/08/286178808.db2.gz YPCSEVJEQPYZMX-SJLPKXTDSA-N 2 0 323.525 2.734 20 0 DFADRP CC[NH+](CC)C[C@H]1CCN(C(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC000426797678 296640954 /nfs/dbraw/zinc/64/09/54/296640954.db2.gz GDGCQYBJDOQFAA-QGZVFWFLSA-N 2 0 323.525 2.689 20 0 DFADRP Cc1csc(N2CCC([NH2+]CC3(C)CC[NH+](C)CC3)CC2)n1 ZINC000378544025 150826293 /nfs/dbraw/zinc/82/62/93/150826293.db2.gz LDEBRYJEAAZZGF-UHFFFAOYSA-N 2 0 322.522 2.742 20 0 DFADRP CCOC(=O)C1(C[NH2+]C2CC[NH+]([C@@H]3CCC[C@H](C)C3)CC2)CC1 ZINC000351914767 286243220 /nfs/dbraw/zinc/24/32/20/286243220.db2.gz DRENRJIZLAOZMJ-DOTOQJQBSA-N 2 0 322.493 2.962 20 0 DFADRP C[N@@H+]1CC[C@H](NCC[C@H]2CCCC[NH+]2C)[C@H]1c1ccccc1 ZINC000352099172 286291299 /nfs/dbraw/zinc/29/12/99/286291299.db2.gz FFPKZYGSSVJAKK-CEXWTWQISA-N 2 0 301.478 2.896 20 0 DFADRP CCC[C@H]([NH2+]C(C)C)C(=O)NC[C@@H](c1ccc(F)cc1)[NH+](C)C ZINC000352157081 286307693 /nfs/dbraw/zinc/30/76/93/286307693.db2.gz RIJMRMFEAUQHTP-IRXDYDNUSA-N 2 0 323.456 2.711 20 0 DFADRP C[C@@H](C[NH2+]Cc1ccccc1-c1ccnn1C)C[NH+]1CCCC1 ZINC000352158547 286307992 /nfs/dbraw/zinc/30/79/92/286307992.db2.gz KRHLMQIMTZHXMY-INIZCTEOSA-N 2 0 312.461 2.909 20 0 DFADRP CCC[C@H]([NH2+]C(C)C)C(=O)NCCCC[N@@H+]1CCC[C@H](C)C1 ZINC000352173314 286311980 /nfs/dbraw/zinc/31/19/80/286311980.db2.gz ZVXCNPPWVUXLIG-IRXDYDNUSA-N 2 0 311.514 2.781 20 0 DFADRP [NH3+]CC[C@@H]1CCCC[N@@H+]1Cc1ccc(OC[C@H]2CCCO2)cc1 ZINC000352495174 286388139 /nfs/dbraw/zinc/38/81/39/286388139.db2.gz JERZOFYDIZGIHN-PKOBYXMFSA-N 2 0 318.461 2.948 20 0 DFADRP CCOCc1cc(C[N@@H+]2CCCC[C@H]2CC[NH3+])ccc1OC ZINC000352526037 286398299 /nfs/dbraw/zinc/39/82/99/286398299.db2.gz JPEZRZMHIYLXCX-KRWDZBQOSA-N 2 0 306.450 2.935 20 0 DFADRP CC[NH+]1CCN(CCC[NH2+]C/C=C\c2ccc(F)c(F)c2)CC1 ZINC000352766536 286461365 /nfs/dbraw/zinc/46/13/65/286461365.db2.gz XRSYQTQDVMGOLM-HYXAFXHYSA-N 2 0 323.431 2.595 20 0 DFADRP CCOC[C@H]([NH2+]Cc1cn(-c2cc[nH+]cc2)nc1C)C(C)C ZINC000353218107 286581855 /nfs/dbraw/zinc/58/18/55/286581855.db2.gz AZJFCCAJLMGYSU-KRWDZBQOSA-N 2 0 302.422 2.726 20 0 DFADRP CSC1(C[NH2+]Cc2csc(C3CC3)n2)CC[NH+](C)CC1 ZINC000353217647 286581935 /nfs/dbraw/zinc/58/19/35/286581935.db2.gz ISGZTZYRZQVPPR-UHFFFAOYSA-N 2 0 311.520 2.938 20 0 DFADRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+][C@H](C)C1CCC(F)(F)CC1 ZINC000353276004 286598546 /nfs/dbraw/zinc/59/85/46/286598546.db2.gz UUMQNRHOACBDMM-HUUCEWRRSA-N 2 0 317.468 2.816 20 0 DFADRP C[C@@H]([NH2+]C1CCC([NH+](C)C)CC1)c1ccc2c(c1)OCCO2 ZINC000353407137 286637018 /nfs/dbraw/zinc/63/70/18/286637018.db2.gz WEVCOXDZHIXTOK-IUDNXUCKSA-N 2 0 304.434 2.981 20 0 DFADRP CC[NH+]1CCN([C@H]2CC[N@@H+]([C@H](C)c3ccc(F)cc3)C2)CC1 ZINC000245951703 158082300 /nfs/dbraw/zinc/08/23/00/158082300.db2.gz ZBWFAKHPTVXPRM-QAPCUYQASA-N 2 0 305.441 2.599 20 0 DFADRP CCCNC(=O)[C@H](C)[NH+]1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000245951502 158082492 /nfs/dbraw/zinc/08/24/92/158082492.db2.gz BDNWULBNMGSZNC-SJORKVTESA-N 2 0 323.525 2.878 20 0 DFADRP COCCCOc1cccc(C[NH2+][C@@H]2C[C@H](C)[N@H+](C)C[C@@H]2C)c1 ZINC000246436612 158091578 /nfs/dbraw/zinc/09/15/78/158091578.db2.gz OFWMLPAHEWCJLQ-TXPKVOOTSA-N 2 0 320.477 2.920 20 0 DFADRP CC[N@@H+]1CC[C@@H]([NH2+]CCc2nc3c(s2)CCCC3)[C@@H](C)C1 ZINC000246463503 158092962 /nfs/dbraw/zinc/09/29/62/158092962.db2.gz QBCKWRQHVAFOMT-UONOGXRCSA-N 2 0 307.507 2.884 20 0 DFADRP CC[N@@H+]1CC[C@@H](C[NH2+][C@H](C)c2cccc(OCC[NH+](C)C)c2)C1 ZINC000246801406 158099307 /nfs/dbraw/zinc/09/93/07/158099307.db2.gz ABXBKXZKZANJHK-SJORKVTESA-N 3 0 319.493 2.619 20 0 DFADRP C[C@](O)(C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1)c1ccccc1 ZINC000246880616 158103172 /nfs/dbraw/zinc/10/31/72/158103172.db2.gz QLKMOZRRWDZCJN-DBVUQKKJSA-N 2 0 314.473 2.843 20 0 DFADRP CC[NH+](CC)[C@H](CN[C@H]1CC[N@H+](CC)C[C@@H]1C)c1ccco1 ZINC000246936847 158107207 /nfs/dbraw/zinc/10/72/07/158107207.db2.gz HKJAGIGKZUXYTG-YESZJQIVSA-N 2 0 307.482 2.982 20 0 DFADRP C[C@H](c1nc(C2CC2)no1)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000246981950 158111678 /nfs/dbraw/zinc/11/16/78/158111678.db2.gz VXAUIUIFEPBAAR-XPKDYRNWSA-N 2 0 316.449 2.957 20 0 DFADRP C[C@@H](C[NH2+][C@@H]1c2cccc(F)c2CC[C@H]1C)N1CC[NH+](C)CC1 ZINC000246997038 158112280 /nfs/dbraw/zinc/11/22/80/158112280.db2.gz LGQMDDPQLJBXPB-VCBZYWHSSA-N 2 0 319.468 2.675 20 0 DFADRP Cc1ccc([C@H](O)C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)cc1 ZINC000246994126 158113026 /nfs/dbraw/zinc/11/30/26/158113026.db2.gz WOQIXICFMISRIV-YSIASYRMSA-N 2 0 314.473 2.977 20 0 DFADRP C[C@@H]1C[C@@H](NC[C@H]2CC[NH+](CCc3ccccc3)C2)CC[N@@H+]1C ZINC000247044994 158116907 /nfs/dbraw/zinc/11/69/07/158116907.db2.gz OMKJHVPGSQIKQY-RLLQIKCJSA-N 2 0 315.505 2.623 20 0 DFADRP C[C@H](c1cccc(F)c1)[N@@H+](C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000247054170 158117005 /nfs/dbraw/zinc/11/70/05/158117005.db2.gz FMJBQZMTUNBRIB-LSDHHAIUSA-N 2 0 308.441 2.911 20 0 DFADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@H](c2ccc(F)cc2)N(C)C)[C@@H](C)C1 ZINC000247067996 158117731 /nfs/dbraw/zinc/11/77/31/158117731.db2.gz ODWDRIZPRKSFIX-JCGIZDLHSA-N 2 0 307.457 2.748 20 0 DFADRP C[C@H]([NH2+][C@@H](C)[C@H]1CCCO1)c1cccc(OCC[NH+](C)C)c1 ZINC000247068093 158117887 /nfs/dbraw/zinc/11/78/87/158117887.db2.gz ODWZVIGGCGQRSF-RLFYNMQTSA-N 2 0 306.450 2.845 20 0 DFADRP C[C@@H](C[NH2+][C@H](C)c1cccc(OCC[NH+](C)C)c1)C[C@H](C)O ZINC000247923569 158151638 /nfs/dbraw/zinc/15/16/38/158151638.db2.gz BLAKIKWWALVVLR-OWCLPIDISA-N 2 0 308.466 2.685 20 0 DFADRP CCN(C(=O)CN1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1)C1CCCCC1 ZINC000247991345 158156573 /nfs/dbraw/zinc/15/65/73/158156573.db2.gz JLDUILXEPLZZJI-FUHWJXTLSA-N 2 0 321.509 2.584 20 0 DFADRP Cc1cnn(CCCCC[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)c1 ZINC000248133653 158161390 /nfs/dbraw/zinc/16/13/90/158161390.db2.gz OUPWMACZPLCEOV-ROUUACIJSA-N 2 0 304.482 2.778 20 0 DFADRP CC[C@H]1CCC[N@H+](CC(=O)NC[C@H](c2ccccc2)[NH+](C)C)C1 ZINC000248402449 158172331 /nfs/dbraw/zinc/17/23/31/158172331.db2.gz VFBKRZQERDOOLA-FUHWJXTLSA-N 2 0 317.477 2.528 20 0 DFADRP c1cnn(CC[NH2+][C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)c1 ZINC000248396485 158172477 /nfs/dbraw/zinc/17/24/77/158172477.db2.gz HCZLPAZYDSNBDM-SLFFLAALSA-N 2 0 324.472 2.773 20 0 DFADRP COC(=O)c1ccc(F)c(CN2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)c1 ZINC000248406575 158173551 /nfs/dbraw/zinc/17/35/51/158173551.db2.gz SOCMOOVJXHHOAI-RHSMWYFYSA-N 2 0 320.408 2.528 20 0 DFADRP COCC[C@H](C)[NH2+][C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000248418652 158174643 /nfs/dbraw/zinc/17/46/43/158174643.db2.gz TWIBGGAABZRWFV-GDAAHCPNSA-N 2 0 302.462 2.912 20 0 DFADRP C[C@H](C[C@H](O)c1ccc(F)cc1)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000248742919 158199367 /nfs/dbraw/zinc/19/93/67/158199367.db2.gz ALQSMHUSKAKZTP-BVXMROAISA-N 2 0 306.425 2.853 20 0 DFADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1NC[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000248826366 158203087 /nfs/dbraw/zinc/20/30/87/158203087.db2.gz CZNOMDNXQHVUSZ-HNBVOPMISA-N 2 0 315.505 2.827 20 0 DFADRP CCN(CCC[NH+](CC)CC)C(=O)c1ccc2c[nH+]cn2c1 ZINC000355156739 158287681 /nfs/dbraw/zinc/28/76/81/158287681.db2.gz DCOYTBIQHQQJSF-UHFFFAOYSA-N 2 0 302.422 2.528 20 0 DFADRP CCCN(CC[NH+]1CCCCCC1)C(=O)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000356641583 158304678 /nfs/dbraw/zinc/30/46/78/158304678.db2.gz ITAXFRNFZWZFER-MSOLQXFVSA-N 2 0 323.525 2.831 20 0 DFADRP C[C@@H](C(=O)NCCC[N@H+]1C[C@H](C)C[C@H](C)C1)[NH+]1[C@H](C)CC[C@H]1C ZINC000357040783 158354738 /nfs/dbraw/zinc/35/47/38/158354738.db2.gz OVNAZHATKHMDJL-ILOCAZANSA-N 2 0 323.525 2.732 20 0 DFADRP CCOc1ccc(C[NH+]2CCC([C@@H]3CC[NH2+]C3)CC2)cc1OC ZINC000357044885 158355429 /nfs/dbraw/zinc/35/54/29/158355429.db2.gz HJZXSXRSSOIGNV-QGZVFWFLSA-N 2 0 318.461 2.915 20 0 DFADRP COCCOc1ccccc1C[NH+]1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000357061043 158359054 /nfs/dbraw/zinc/35/90/54/158359054.db2.gz ZBKJZABAMSYIAQ-KRWDZBQOSA-N 2 0 318.461 2.533 20 0 DFADRP CC(C)N(C)c1ccc(C[NH+]2CCC([C@@H]3CC[NH2+]C3)CC2)cn1 ZINC000357068218 158360061 /nfs/dbraw/zinc/36/00/61/158360061.db2.gz DMDVAUMIEUOCOQ-GOSISDBHSA-N 2 0 316.493 2.748 20 0 DFADRP CCOc1ccccc1OCC[NH+]1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000357068285 158360680 /nfs/dbraw/zinc/36/06/80/158360680.db2.gz DSKCEZWZCFWSAS-QGZVFWFLSA-N 2 0 318.461 2.786 20 0 DFADRP Cc1c(F)cccc1NC(=O)CC[N@@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000358515597 158385228 /nfs/dbraw/zinc/38/52/28/158385228.db2.gz ZOBJCDMEUNZMCT-UHFFFAOYSA-N 2 0 319.424 2.538 20 0 DFADRP C[NH+](C)CC1(C(=O)N2CCC([NH+]3CCCC3)CC2)CCCCC1 ZINC000358717243 158403922 /nfs/dbraw/zinc/40/39/22/158403922.db2.gz BZYGDESGNKBGDW-UHFFFAOYSA-N 2 0 321.509 2.585 20 0 DFADRP C[C@@H](CCN1CC[NH+](C)CC1)[NH2+][C@@H](C)c1ccc(F)cc1F ZINC000186580841 286809640 /nfs/dbraw/zinc/80/96/40/286809640.db2.gz MSQQXOUTZNNLAZ-KBPBESRZSA-N 2 0 311.420 2.641 20 0 DFADRP Cc1ccc(-c2noc([C@H](C)[NH+]3CCC(C[NH3+])CC3)n2)cc1F ZINC000430645094 296802349 /nfs/dbraw/zinc/80/23/49/296802349.db2.gz NPYDDTVDJCREQI-LBPRGKRZSA-N 2 0 318.396 2.916 20 0 DFADRP [NH3+][C@H]1CCCCCC[C@@H]1C(=O)NCCC[NH+]1CCCCCC1 ZINC000430828703 296808783 /nfs/dbraw/zinc/80/87/83/296808783.db2.gz VFLHVBKWTTVOQE-IRXDYDNUSA-N 2 0 309.498 2.666 20 0 DFADRP Fc1ccc(-n2cc(C[NH+]3CCC4(CC[NH2+]C4)CC3)cn2)cc1 ZINC000430913538 296811567 /nfs/dbraw/zinc/81/15/67/296811567.db2.gz WBCGCVOYUCKFML-UHFFFAOYSA-N 2 0 314.408 2.587 20 0 DFADRP CSc1cccc(NC(=O)[C@H](C)[NH+]2CCC([C@@H](C)[NH3+])CC2)c1 ZINC000430948356 296814251 /nfs/dbraw/zinc/81/42/51/296814251.db2.gz IPYRHNCISYKZRP-OLZOCXBDSA-N 2 0 321.490 2.795 20 0 DFADRP C[C@H]([NH3+])C1CC[NH+]([C@@H]2CCN(c3cccc(Cl)c3)C2=O)CC1 ZINC000430959105 296815254 /nfs/dbraw/zinc/81/52/54/296815254.db2.gz WJDKFUNRFGOLIC-BLLLJJGKSA-N 2 0 321.852 2.505 20 0 DFADRP CC(C)c1ccccc1NC(=O)C[NH+]1CCC2(CC[NH2+]C2)CC1 ZINC000431018910 296818189 /nfs/dbraw/zinc/81/81/89/296818189.db2.gz YXWFDAMQZWKYQN-UHFFFAOYSA-N 2 0 315.461 2.824 20 0 DFADRP CO[C@@H]1CC[NH+](C/C=C\C[N@H+]2CC[C@H](OC)C[C@@H]2C)[C@@H](C)C1 ZINC000441341968 297180175 /nfs/dbraw/zinc/18/01/75/297180175.db2.gz QJOGINBCJSRJSX-VAMVTKTBSA-N 2 0 310.482 2.541 20 0 DFADRP C[C@@H]([NH2+][C@@H]1CCCCC[C@H]1O)c1ccc(OCC[NH+](C)C)cc1 ZINC000287087248 287056835 /nfs/dbraw/zinc/05/68/35/287056835.db2.gz PDHPZPWCAZKGKT-ATZDWAIDSA-N 2 0 320.477 2.971 20 0 DFADRP COc1cccc(C[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@H+]3C)c1OC ZINC000131821570 196201745 /nfs/dbraw/zinc/20/17/45/196201745.db2.gz FMGUKPVQHRSVMX-MQVJKMGUSA-N 2 0 304.434 2.809 20 0 DFADRP CC[N@@H+]1CC[C@H]([NH2+]C2CCN(c3ccccc3)CC2)[C@H](C)C1 ZINC000132746594 196279772 /nfs/dbraw/zinc/27/97/72/196279772.db2.gz QLGZXKRCFKXCJD-APWZRJJASA-N 2 0 301.478 2.975 20 0 DFADRP C[NH+](C)[C@H](CC(=O)N[C@H]1CCC[C@@H]([NH+](C)C)C1)c1ccccc1 ZINC000433360440 296909158 /nfs/dbraw/zinc/90/91/58/296909158.db2.gz FZHWRKWGMDLPJN-RCCFBDPRSA-N 2 0 317.477 2.668 20 0 DFADRP C[NH+](C)CCOC1CCN(Cc2ccc(F)c(F)c2F)CC1 ZINC000667617493 543642578 /nfs/dbraw/zinc/64/25/78/543642578.db2.gz SWKVNGMMKHLZSE-UHFFFAOYSA-N 2 0 316.367 2.647 20 0 DFADRP COC[C@@H](C)Oc1ccc(C[NH+]2CCC(C[NH+](C)C)CC2)cc1 ZINC000667502044 543619360 /nfs/dbraw/zinc/61/93/60/543619360.db2.gz ROCPLVUVMJCNBT-MRXNPFEDSA-N 2 0 320.477 2.874 20 0 DFADRP Cc1cc(N2CCC[C@@H]([NH2+][C@@H]3CCC[C@@H]4C[C@@H]43)C2)nc(C)n1 ZINC000667839758 543689871 /nfs/dbraw/zinc/68/98/71/543689871.db2.gz BMJXSZSRJRXBBS-WCXIOVBPSA-N 2 0 300.450 2.840 20 0 DFADRP CC[N@@H+]1CC[C@@H](N(C)Cc2ccnn2-c2cc[nH+]cc2)C[C@@H]1C ZINC000667664097 543654322 /nfs/dbraw/zinc/65/43/22/543654322.db2.gz CITXGEUWXOQMAR-DOTOQJQBSA-N 2 0 313.449 2.572 20 0 DFADRP [NH3+]Cc1cccc(NC(=O)NC2CC[NH+](C3CCCC3)CC2)c1 ZINC000667726007 543667058 /nfs/dbraw/zinc/66/70/58/543667058.db2.gz HWZPIROGOLVOTC-UHFFFAOYSA-N 2 0 316.449 2.674 20 0 DFADRP C[NH+]1CCN(C[C@@H]([NH2+][C@@H]2CCC[C@@H]3C[C@@H]32)c2ccccc2)CC1 ZINC000667755733 543673376 /nfs/dbraw/zinc/67/33/76/543673376.db2.gz BMCVYSNGYPTYGC-IYWMVGAKSA-N 2 0 313.489 2.753 20 0 DFADRP CC[NH2+]Cc1cccc(NC(=O)N[C@H](C)C2CC[NH+](C)CC2)c1 ZINC000667768074 543675599 /nfs/dbraw/zinc/67/55/99/543675599.db2.gz ZBHMUKCEMVDBLK-CQSZACIVSA-N 2 0 318.465 2.648 20 0 DFADRP c1cc(C[NH2+][C@@H]2CO[C@@H](C3CC3)C2)cc(C[NH+]2CCCC2)c1 ZINC000667927822 543705066 /nfs/dbraw/zinc/70/50/66/543705066.db2.gz GTQXPRLANQJVCG-RBUKOAKNSA-N 2 0 300.446 2.940 20 0 DFADRP CC1=CC[C@@H]([NH2+]Cc2ccc(C[N@@H+]3CC[C@H](O)C3)cc2)CC1 ZINC000668488602 543814219 /nfs/dbraw/zinc/81/42/19/543814219.db2.gz CWEAMHVBNSTGGX-MOPGFXCFSA-N 2 0 300.446 2.842 20 0 DFADRP CN1CC(C[N@H+](C)Cc2c[nH]nc2-c2cccc(Cl)c2)C1 ZINC000668539653 543820965 /nfs/dbraw/zinc/82/09/65/543820965.db2.gz GSIIWXMSSKIMII-UHFFFAOYSA-N 2 0 304.825 2.724 20 0 DFADRP Cc1nn(-c2cc[nH+]cc2)cc1C[NH+]1CCC(c2ccon2)CC1 ZINC000668713916 543851608 /nfs/dbraw/zinc/85/16/08/543851608.db2.gz DKCHLMVXMRXNRG-UHFFFAOYSA-N 2 0 323.400 2.943 20 0 DFADRP C[NH+](C)CCC[C@H]1C[N@H+](C[C@@H]2CCOc3ccccc32)CCO1 ZINC000668785458 543867605 /nfs/dbraw/zinc/86/76/05/543867605.db2.gz QMSDEICAMASAMX-IRXDYDNUSA-N 2 0 318.461 2.595 20 0 DFADRP C[NH+](C)CCC[C@@H]1C[N@H+](C[C@H]2CCOc3ccccc32)CCO1 ZINC000668785457 543867726 /nfs/dbraw/zinc/86/77/26/543867726.db2.gz QMSDEICAMASAMX-IAGOWNOFSA-N 2 0 318.461 2.595 20 0 DFADRP C[NH+](C)CCOc1ccc(C[N@@H+]2CC[C@@]3(C2)CCCOC3)cc1 ZINC000671312882 544067007 /nfs/dbraw/zinc/06/70/07/544067007.db2.gz XZJFHMYJNLLKAW-LJQANCHMSA-N 2 0 318.461 2.630 20 0 DFADRP Cc1cc(N(C)C[C@@H]2CCC[N@H+](C)[C@H]2c2cncn2C)cc[nH+]1 ZINC000671472417 544077871 /nfs/dbraw/zinc/07/78/71/544077871.db2.gz RUVJTJMXYVKAPS-MAUKXSAKSA-N 2 0 313.449 2.643 20 0 DFADRP Cc1ccnc(N[C@@H]2CCc3nccn3C2)c1Br ZINC000672194257 544128244 /nfs/dbraw/zinc/12/82/44/544128244.db2.gz JSCVIEXNIMDUNY-SNVBAGLBSA-N 2 0 307.195 2.776 20 0 DFADRP OC[C@H](C[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccc(Cl)cc1 ZINC000672619022 544143705 /nfs/dbraw/zinc/14/37/05/544143705.db2.gz HYJFQXGLFMEZMG-XIRDDKMYSA-N 2 0 308.853 2.632 20 0 DFADRP OCC[C@@H]([NH2+]C1CCN(c2cc[nH+]cc2)CC1)C1CCCCC1 ZINC000297343474 227036669 /nfs/dbraw/zinc/03/66/69/227036669.db2.gz DUBDUWOOEJMVQL-LJQANCHMSA-N 2 0 317.477 2.971 20 0 DFADRP C[C@@H]([NH2+]Cc1c[nH]c2nccnc12)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000290971425 222039060 /nfs/dbraw/zinc/03/90/60/222039060.db2.gz XKSMJWWKMWFWAS-ZIAGYGMSSA-N 2 0 313.449 2.701 20 0 DFADRP CC1CC[NH+](CCC[C@@H]([NH2+]CCO)c2ccc(F)cc2)CC1 ZINC000291070506 222114440 /nfs/dbraw/zinc/11/44/40/222114440.db2.gz BATUNONCQJVYDY-GOSISDBHSA-N 2 0 308.441 2.961 20 0 DFADRP CN(CC[N@H+](C)[C@H]1C[C@@H]1c1ccccc1)C1CC[NH+](C)CC1 ZINC000291103445 222138538 /nfs/dbraw/zinc/13/85/38/222138538.db2.gz JPLQNVSGBBOWPD-MOPGFXCFSA-N 2 0 301.478 2.500 20 0 DFADRP OC[C@@H]1CCC[N@@H+]1CCCC[NH2+][C@H]1CCCc2ccc(O)cc21 ZINC000291279781 222281737 /nfs/dbraw/zinc/28/17/37/222281737.db2.gz RBXQLILWJZSCBD-LPHOPBHVSA-N 2 0 318.461 2.596 20 0 DFADRP OCCCC[N@@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000291480011 222416988 /nfs/dbraw/zinc/41/69/88/222416988.db2.gz QRGHIYDRJSEPGK-UHFFFAOYSA-N 2 0 302.462 2.747 20 0 DFADRP CC(C)N(C)C(=O)[C@@H](C)[NH+]1CCC(C[NH+]2CCCCCC2)CC1 ZINC000673855347 544203181 /nfs/dbraw/zinc/20/31/81/544203181.db2.gz NPNSQLPVWBARJE-QGZVFWFLSA-N 2 0 323.525 2.830 20 0 DFADRP CC[NH+](CC)Cc1ccc(C(=O)N[C@H]2C[N@H+](CC)C[C@H]2C)cc1 ZINC000674824594 544263935 /nfs/dbraw/zinc/26/39/35/544263935.db2.gz AJSWOOQQHZPZGY-QAPCUYQASA-N 2 0 317.477 2.598 20 0 DFADRP Cc1ccccc1OCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000674698834 544252373 /nfs/dbraw/zinc/25/23/73/544252373.db2.gz CVKIYTPRKOQAMM-UHFFFAOYSA-N 2 0 311.429 2.981 20 0 DFADRP C[C@H]([NH2+][C@@H]1CCC[C@H](O)C1)c1cccc(OCC[NH+](C)C)c1 ZINC000675766216 544334622 /nfs/dbraw/zinc/33/46/22/544334622.db2.gz FFNIHHJTETZGJJ-UAGQMJEPSA-N 2 0 306.450 2.581 20 0 DFADRP C[C@@H](C[NH2+][C@@H](C)C1CC[NH+](C)CC1)N1CCc2ccccc21 ZINC000675775970 544335446 /nfs/dbraw/zinc/33/54/46/544335446.db2.gz DEEOGDUYNUQLCZ-HOTGVXAUSA-N 2 0 301.478 2.758 20 0 DFADRP Cc1ccsc1[C@H](C)[NH2+][C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000675876215 544341212 /nfs/dbraw/zinc/34/12/12/544341212.db2.gz WLVPZJTYAGUGOK-LSDHHAIUSA-N 2 0 307.507 2.876 20 0 DFADRP Cc1ccsc1[C@@H](C)[NH2+][C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000675876214 544341332 /nfs/dbraw/zinc/34/13/32/544341332.db2.gz WLVPZJTYAGUGOK-HUUCEWRRSA-N 2 0 307.507 2.876 20 0 DFADRP CC[C@@H](Cc1cccs1)[NH2+]CC1(O)CC[NH+](C(C)C)CC1 ZINC000675935096 544345388 /nfs/dbraw/zinc/34/53/88/544345388.db2.gz GVYDRJGVQARUCG-HNNXBMFYSA-N 2 0 310.507 2.894 20 0 DFADRP Cc1cc(C[NH2+][C@H](C)c2cccc(OCC[NH+](C)C)c2)[nH]n1 ZINC000675891841 544342438 /nfs/dbraw/zinc/34/24/38/544342438.db2.gz BTVOYLLLEDZHSB-CQSZACIVSA-N 2 0 302.422 2.509 20 0 DFADRP Cn1nc(C[NH2+]C2CCC(C[NH+](C)C)CC2)c2ccccc21 ZINC000676723921 544397276 /nfs/dbraw/zinc/39/72/76/544397276.db2.gz DMBPBXGUJSNKBY-UHFFFAOYSA-N 2 0 300.450 2.783 20 0 DFADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+][C@@H](C)c2nc(C)sc2C)CC1 ZINC000676490206 544379610 /nfs/dbraw/zinc/37/96/10/544379610.db2.gz OGDVZPNUWOVZRL-KBPBESRZSA-N 2 0 324.538 2.684 20 0 DFADRP CCn1nccc1CNC1CC[NH+](CCc2ccccc2)CC1 ZINC000677127949 544437499 /nfs/dbraw/zinc/43/74/99/544437499.db2.gz UOCJXXLNYOFPLX-UHFFFAOYSA-N 2 0 312.461 2.700 20 0 DFADRP COc1ccc2[nH]cc(CC[NH2+][C@H]3CC[N@@H+]4CCC[C@H]4C3)c2c1 ZINC000677240792 544457315 /nfs/dbraw/zinc/45/73/15/544457315.db2.gz KXWINPCEGKKETG-HOTGVXAUSA-N 2 0 313.445 2.935 20 0 DFADRP CC(=O)Nc1cccc(C[N@H+]2CC[C@H](C3CC[NH+](C)CC3)C2)c1 ZINC000677475036 544494673 /nfs/dbraw/zinc/49/46/73/544494673.db2.gz LCYHPVPHAVEEEW-SFHVURJKSA-N 2 0 315.461 2.809 20 0 DFADRP C[NH+](C)CCCC[NH2+][C@@H]1CN(Cc2ccccc2)C(C)(C)C1 ZINC000677749200 544536492 /nfs/dbraw/zinc/53/64/92/544536492.db2.gz IYYOOWNICNZHEQ-SFHVURJKSA-N 2 0 303.494 2.971 20 0 DFADRP C[C@H](CO)C[N@@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000678044677 544586743 /nfs/dbraw/zinc/58/67/43/544586743.db2.gz RPGTVDFFGUSCBK-PKOBYXMFSA-N 2 0 302.462 2.603 20 0 DFADRP CC(C)[NH+]1CCC([N@H+](C)Cc2ccccc2-n2cncn2)CC1 ZINC000678131875 544606738 /nfs/dbraw/zinc/60/67/38/544606738.db2.gz QJZGCTLKUXOPGD-UHFFFAOYSA-N 2 0 313.449 2.572 20 0 DFADRP CCN1CCC([N@H+](C)Cc2ccc(OCC[NH+](C)C)cc2)CC1 ZINC000678131636 544606753 /nfs/dbraw/zinc/60/67/53/544606753.db2.gz KCESXUIWABEWPD-UHFFFAOYSA-N 2 0 319.493 2.543 20 0 DFADRP Cc1cccc(C[N@@H+](C)Cc2ccc(OCC[NH+](C)C)cc2)n1 ZINC000678315219 544650021 /nfs/dbraw/zinc/65/00/21/544650021.db2.gz YXRDJKXHQGFTEX-UHFFFAOYSA-N 2 0 313.445 2.962 20 0 DFADRP c1cn(-c2ccc(C[NH2+]C3CC[NH+](C4CCC4)CC3)cc2)cn1 ZINC000299323792 229050752 /nfs/dbraw/zinc/05/07/52/229050752.db2.gz JFIXKDVGLIJHQT-UHFFFAOYSA-N 2 0 310.445 2.979 20 0 DFADRP CN(CC[C@H]1CCCC[N@@H+]1C)Cc1ccccc1-n1cncn1 ZINC000678279192 544643069 /nfs/dbraw/zinc/64/30/69/544643069.db2.gz KZZOTQVCZGCCRO-QGZVFWFLSA-N 2 0 313.449 2.574 20 0 DFADRP C[C@H]1C[C@H]([NH2+]CCCc2nc3ccccc3n2C)CC[N@@H+]1C ZINC000678592361 544698724 /nfs/dbraw/zinc/69/87/24/544698724.db2.gz QNGMZLYEGQGVMB-LSDHHAIUSA-N 2 0 300.450 2.578 20 0 DFADRP C[C@H]([NH2+][C@@H]1CCN(C)[C@@H]1c1ccccc1)C1CC[NH+](C)CC1 ZINC000678608467 544702018 /nfs/dbraw/zinc/70/20/18/544702018.db2.gz OWZRMZZSTKXVRZ-KFKAGJAMSA-N 2 0 301.478 2.752 20 0 DFADRP C[C@H](C[NH2+][C@H]1c2ccccc2CC[C@@H]1C)CN1CC[NH+](C)CC1 ZINC000678769255 544718196 /nfs/dbraw/zinc/71/81/96/544718196.db2.gz QMUMTZJGCKNLBF-FUHIMQAGSA-N 2 0 315.505 2.783 20 0 DFADRP CCC[NH+]1CCC([NH2+]CCCOc2cccc(OC)c2)CC1 ZINC000678772812 544719177 /nfs/dbraw/zinc/71/91/77/544719177.db2.gz FSDPCUACWQVUFQ-UHFFFAOYSA-N 2 0 306.450 2.928 20 0 DFADRP CC[C@H]([NH2+]CC(=O)NC1CC[NH+](C2CC2)CC1)C1CCCCC1 ZINC000678895043 544745033 /nfs/dbraw/zinc/74/50/33/544745033.db2.gz KNRIGIPWDSHFSA-SFHVURJKSA-N 2 0 321.509 2.678 20 0 DFADRP CC[N@@H+]1C[C@H](C)[C@H](NC2CC[NH+]([C@H]3CCC[C@@H](C)C3)CC2)C1 ZINC000679076091 544779635 /nfs/dbraw/zinc/77/96/35/544779635.db2.gz QNOUFIPPVSCPKY-KCITZHQASA-N 2 0 307.526 2.959 20 0 DFADRP CC(C)[C@@H]([NH2+]CC(C)(C)N1CC[NH+](C)CC1)c1ccc(F)cn1 ZINC000679386445 544846835 /nfs/dbraw/zinc/84/68/35/544846835.db2.gz NBTKQLWGETXNHW-QGZVFWFLSA-N 2 0 322.472 2.533 20 0 DFADRP C[NH+](C)CCC1CC[NH+](Cc2nnc(-c3ccccc3)o2)CC1 ZINC000056522531 425895593 /nfs/dbraw/zinc/89/55/93/425895593.db2.gz AZQAOXVGISADHS-UHFFFAOYSA-N 2 0 314.433 2.900 20 0 DFADRP C[NH+](C)CCC1CC[NH+](CCC(=O)NCC2CCCCC2)CC1 ZINC000066951158 425907853 /nfs/dbraw/zinc/90/78/53/425907853.db2.gz CBYHDXNJIXEVQQ-UHFFFAOYSA-N 2 0 323.525 2.737 20 0 DFADRP CCCC[N@H+](C)CC1CC[NH+](CCC(=O)N2CCCCC2)CC1 ZINC000067457347 425910709 /nfs/dbraw/zinc/91/07/09/425910709.db2.gz BYTIBYBMXXASGG-UHFFFAOYSA-N 2 0 323.525 2.833 20 0 DFADRP CC[NH+]1CCN([C@H](C)C[NH2+][C@@H](C)c2cccc(C)c2C)CC1 ZINC000155593322 425921562 /nfs/dbraw/zinc/92/15/62/425921562.db2.gz YLJQTPNOGOPDOY-AEFFLSMTSA-N 2 0 303.494 2.980 20 0 DFADRP CC[NH+]1CCN([C@@H](C)C[NH2+][C@H](C)c2ccc(F)cc2F)CC1 ZINC000155609320 425922723 /nfs/dbraw/zinc/92/27/23/425922723.db2.gz FDCYVPQANKLEAT-UONOGXRCSA-N 2 0 311.420 2.641 20 0 DFADRP C[C@H]([NH2+]CC1CC[NH+](CCN(C)C)CC1)c1ccc(F)cc1 ZINC000124506123 425923336 /nfs/dbraw/zinc/92/33/36/425923336.db2.gz MZXMXIGBLGTSEN-HNNXBMFYSA-N 2 0 307.457 2.750 20 0 DFADRP CC[NH+]1CCN([C@@H](C)C[NH2+][C@H](C)c2ccc(OC)c(F)c2)CC1 ZINC000155612634 425923244 /nfs/dbraw/zinc/92/32/44/425923244.db2.gz NHJOKAKHKZDMOP-LSDHHAIUSA-N 2 0 323.456 2.511 20 0 DFADRP CC[NH+]1CCN([C@@H](C)C[NH2+][C@@H](C)c2ccc3c(c2)CCC3)CC1 ZINC000155611467 425923327 /nfs/dbraw/zinc/92/33/27/425923327.db2.gz XQJCCHLAAYCSQO-IRXDYDNUSA-N 2 0 315.505 2.852 20 0 DFADRP Cc1ccc([C@@H](C)[NH2+]CC2CC[NH+](CCN(C)C)CC2)cc1 ZINC000124524546 425924061 /nfs/dbraw/zinc/92/40/61/425924061.db2.gz UKHHGGMHBWRZKR-QGZVFWFLSA-N 2 0 303.494 2.919 20 0 DFADRP CC(C)[C@@H](C(=O)NCC[C@@H](C)[N@H+](C)Cc1ccccc1)[NH+](C)C ZINC000155777450 425926088 /nfs/dbraw/zinc/92/60/88/425926088.db2.gz UFNXXUIIVLTWDU-AEFFLSMTSA-N 2 0 319.493 2.599 20 0 DFADRP C[C@@H](CNC(=O)c1cccc(C[NH+](C)C)c1)C[NH+]1CCCCC1 ZINC000155870140 425929450 /nfs/dbraw/zinc/92/94/50/425929450.db2.gz OAVJRXSXDOWBIL-INIZCTEOSA-N 2 0 317.477 2.600 20 0 DFADRP CC[C@@H](C(=O)Nc1cccc(C[NH+]2CCCCC2)c1)[NH+](C)C ZINC000124774382 425937762 /nfs/dbraw/zinc/93/77/62/425937762.db2.gz FRJZGGGDHIFSIY-KRWDZBQOSA-N 2 0 303.450 2.951 20 0 DFADRP Cc1ccccc1C[C@@H](CO)[NH2+]C1CC[NH+](C(C)(C)C)CC1 ZINC000191566239 268004719 /nfs/dbraw/zinc/00/47/19/268004719.db2.gz FDSOYBXVMDFZIV-SFHVURJKSA-N 2 0 304.478 2.751 20 0 DFADRP CC[NH+](CC)Cc1ccc(C(=O)NCC[NH+]2CCC(C)CC2)o1 ZINC000046957540 425867327 /nfs/dbraw/zinc/86/73/27/425867327.db2.gz HWOUMHXFGTZLLX-UHFFFAOYSA-N 2 0 321.465 2.583 20 0 DFADRP C[C@@H]1C[C@H](N(C)Cc2ccc3c(c2)sc(=O)n3C)CC[N@@H+]1C ZINC000192625159 268043666 /nfs/dbraw/zinc/04/36/66/268043666.db2.gz BVESLBMCRIOTHN-TZMCWYRMSA-N 2 0 319.474 2.515 20 0 DFADRP OCCCCC[NH2+][C@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000192926172 268054284 /nfs/dbraw/zinc/05/42/84/268054284.db2.gz OMBFXQFRLQQCBP-QRVBRYPASA-N 2 0 302.462 2.649 20 0 DFADRP CC[C@@H]([NH2+]CCCN1CC[NH+](C(C)C)CC1)c1c(C)noc1C ZINC000193007287 268057082 /nfs/dbraw/zinc/05/70/82/268057082.db2.gz KSJVJLIJCDEVCO-QGZVFWFLSA-N 2 0 322.497 2.748 20 0 DFADRP CC[NH+]1CCC([NH2+]C[C@@H](NC(=O)OC(C)(C)C)C(C)C)CC1 ZINC000223641195 268141804 /nfs/dbraw/zinc/14/18/04/268141804.db2.gz XVCYIQIVMKWOPT-OAHLLOKOSA-N 2 0 313.486 2.610 20 0 DFADRP CC1CC[NH+]([C@H](CNC(=O)C(C)(C)C[NH3+])c2ccccc2)CC1 ZINC000236726122 268149167 /nfs/dbraw/zinc/14/91/67/268149167.db2.gz IXXZZTNOIXIUMY-QGZVFWFLSA-N 2 0 317.477 2.561 20 0 DFADRP CC[NH+](CC)[C@@H](CNC(=O)[C@H](C[NH3+])c1ccccc1)CC(C)C ZINC000236832917 268152084 /nfs/dbraw/zinc/15/20/84/268152084.db2.gz WAXLIQDENLVJOH-QZTJIDSGSA-N 2 0 319.493 2.602 20 0 DFADRP [NH3+][C@@H]1CCCCCC[C@H]1C(=O)NCCC[NH+]1CCCCCC1 ZINC000237890897 268161654 /nfs/dbraw/zinc/16/16/54/268161654.db2.gz VFLHVBKWTTVOQE-IAGOWNOFSA-N 2 0 309.498 2.666 20 0 DFADRP O=C(NC1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccc(Nc2cc[nH+]cc2)cc1 ZINC000237968697 268162551 /nfs/dbraw/zinc/16/25/51/268162551.db2.gz QALHEXCYIZWMFC-JWTNVVGKSA-N 2 0 322.412 2.838 20 0 DFADRP C[C@H]([NH2+][C@@H]1CCC[C@H]1CCO)c1cccc(OCC[NH+](C)C)c1 ZINC000250087297 268167783 /nfs/dbraw/zinc/16/77/83/268167783.db2.gz PVHOVTORFXHQLN-TXPKVOOTSA-N 2 0 320.477 2.829 20 0 DFADRP C[C@@H]1C[N@@H+](CCC2CC[NH+](Cc3ccccn3)CC2)C[C@H](C)O1 ZINC000267422000 268181035 /nfs/dbraw/zinc/18/10/35/268181035.db2.gz WPQIXNVNDKKBJT-CALCHBBNSA-N 2 0 317.477 2.793 20 0 DFADRP CC[N@H+](Cc1ccc(C(=O)N[C@H](C)CCC[NH3+])cc1)C(C)C ZINC000295145224 268291097 /nfs/dbraw/zinc/29/10/97/268291097.db2.gz CBBVFDZAAZVNAK-OAHLLOKOSA-N 2 0 305.466 2.774 20 0 DFADRP C[C@@H](C[NH2+]CC(C)(C)NC(=O)OC(C)(C)C)C[NH+]1CCCC1 ZINC000309854208 268335692 /nfs/dbraw/zinc/33/56/92/268335692.db2.gz KMWUBVSRFKPTDY-AWEZNQCLSA-N 2 0 313.486 2.611 20 0 DFADRP C[C@H](CCCNC(=O)OC(C)(C)C)[NH2+]CC1CC[NH+](C)CC1 ZINC000310001995 268336624 /nfs/dbraw/zinc/33/66/24/268336624.db2.gz FLTMZPWOJAXNHU-CQSZACIVSA-N 2 0 313.486 2.611 20 0 DFADRP Cn1cnc(CC[NH2+]Cc2cc(Br)ccc2F)c1 ZINC000313304728 268339434 /nfs/dbraw/zinc/33/94/34/268339434.db2.gz RRBZJRKBPCXFKD-UHFFFAOYSA-N 2 0 312.186 2.654 20 0 DFADRP CC(C)CCC[C@@H](C)NC(=O)C[NH+]1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000321585245 268349092 /nfs/dbraw/zinc/34/90/92/268349092.db2.gz IOQDGFLLDZXNTO-SJLPKXTDSA-N 2 0 323.525 2.781 20 0 DFADRP C[C@@H]1C[C@H](C[N@@H+]2CCC[C@H](c3noc(C4CC4)n3)C2)CC[NH2+]1 ZINC000333187871 268380841 /nfs/dbraw/zinc/38/08/41/268380841.db2.gz UECNHGZSKCIIBF-NFAWXSAZSA-N 2 0 304.438 2.515 20 0 DFADRP CC(C)c1nnc2n1C[C@@H]([NH2+][C@H](C)C[C@H]1CCCCC[NH2+]1)CC2 ZINC000333231025 268384709 /nfs/dbraw/zinc/38/47/09/268384709.db2.gz BZJMITBGEDXERI-OAGGEKHMSA-N 2 0 319.497 2.617 20 0 DFADRP [NH3+]C1CCC([NH2+]C2CCC3(CC2)c2ccccc2NC3=O)CC1 ZINC000333295441 268389944 /nfs/dbraw/zinc/38/99/44/268389944.db2.gz PHRSDEQWVGIDSY-UHFFFAOYSA-N 2 0 313.445 2.679 20 0 DFADRP C[C@@H]([NH2+]Cc1nnc(C2CC[NH2+]CC2)[nH]1)[C@@H]1CCCC[C@H]1C ZINC000333576716 268404891 /nfs/dbraw/zinc/40/48/91/268404891.db2.gz NFIHSRMNLPDRNZ-UMVBOHGHSA-N 2 0 305.470 2.576 20 0 DFADRP C[C@H](c1ccc([S@@](C)=O)cc1)N(C)CC[C@@H]1CCC[N@@H+]1C ZINC000124909045 425944489 /nfs/dbraw/zinc/94/44/89/425944489.db2.gz VCGHUGUDXLZQGY-ZJTDPSCFSA-N 2 0 308.491 2.901 20 0 DFADRP CCCCNC(=O)[C@H]1CC[C@@H](C)[N@H+](CCC[NH+]2CCCCC2)C1 ZINC000125006026 425949592 /nfs/dbraw/zinc/94/95/92/425949592.db2.gz UGLVYIRWNYVDOH-MSOLQXFVSA-N 2 0 323.525 2.879 20 0 DFADRP COc1cccc(O[C@H](C)C[NH2+][C@H]2C[C@@H](C)[N@H+](C)C[C@H]2C)c1 ZINC000125095342 425952920 /nfs/dbraw/zinc/95/29/20/425952920.db2.gz QSQMYZLTHZCUTA-ADAWSYLGSA-N 2 0 306.450 2.781 20 0 DFADRP Cc1c(CN2CCC[C@H](C[NH+]3CCC(C)CC3)C2)cnn1C ZINC000125140429 425954914 /nfs/dbraw/zinc/95/49/14/425954914.db2.gz LXAOBDSUOXMJER-QGZVFWFLSA-N 2 0 304.482 2.672 20 0 DFADRP c1nc2ccccn2c1C[N@H+]1CC[C@H](CNc2ccccn2)C1 ZINC000159236938 425956911 /nfs/dbraw/zinc/95/69/11/425956911.db2.gz DFRZQOJAYIEHCH-OAHLLOKOSA-N 2 0 307.401 2.663 20 0 DFADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1[NH2+]CCCOCCc1ccccc1 ZINC000125306714 425964523 /nfs/dbraw/zinc/96/45/23/425964523.db2.gz UKFZDGOKTFZOEC-ZIFCJYIRSA-N 2 0 304.478 2.954 20 0 DFADRP C[NH2+]CCC1CC[NH+](Cc2cn3cc(Cl)ccc3n2)CC1 ZINC000070189781 425970042 /nfs/dbraw/zinc/97/00/42/425970042.db2.gz YVCJZMLNEDGWHV-UHFFFAOYSA-N 2 0 306.841 2.809 20 0 DFADRP Brc1csc(C[NH2+]CC[C@H]2CCC[NH2+]C2)c1 ZINC000070600575 425973603 /nfs/dbraw/zinc/97/36/03/425973603.db2.gz KKORXOUXHHHKJV-SNVBAGLBSA-N 2 0 303.269 2.990 20 0 DFADRP CC(C)[N@@H+]1CCC[C@H](CNC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC000161542761 426028220 /nfs/dbraw/zinc/02/82/20/426028220.db2.gz DKUHRXLMQFWSGK-QGZVFWFLSA-N 2 0 317.477 2.598 20 0 DFADRP C[C@H]([NH2+]Cc1ccc(CN2CC[NH+](C)CC2)cc1)C1(C)CC1 ZINC000126729528 426034239 /nfs/dbraw/zinc/03/42/39/426034239.db2.gz KRNPERXWSZYXSM-INIZCTEOSA-N 2 0 301.478 2.712 20 0 DFADRP Cc1nccn1CCCCN1CCC[C@H]([NH+]2CCCCC2)C1 ZINC000161733716 426036293 /nfs/dbraw/zinc/03/62/93/426036293.db2.gz XPNCWOIHRPZEIN-SFHVURJKSA-N 2 0 304.482 2.922 20 0 DFADRP CCC[C@@H](C(=O)N1CCC[C@H](C[NH+]2CCC(C)CC2)C1)[NH+](C)C ZINC000161860136 426042244 /nfs/dbraw/zinc/04/22/44/426042244.db2.gz DXLQQXRKLDDLCT-MSOLQXFVSA-N 2 0 323.525 2.687 20 0 DFADRP C[C@H]([NH2+]CCCn1cccn1)c1ccc(OCC[NH+](C)C)cc1 ZINC000126977601 426045562 /nfs/dbraw/zinc/04/55/62/426045562.db2.gz RUMZFWRIPNAHMV-INIZCTEOSA-N 2 0 316.449 2.564 20 0 DFADRP C[C@H]([NH2+]CCCn1cccn1)c1cccc(OCC[NH+](C)C)c1 ZINC000127027238 426047813 /nfs/dbraw/zinc/04/78/13/426047813.db2.gz GUXAUVWGQZSZMR-INIZCTEOSA-N 2 0 316.449 2.564 20 0 DFADRP CC(C)[C@@H](Cc1ccc(F)cc1)[NH2+]CCCN1CC[NH+](C)CC1 ZINC000162530772 426068460 /nfs/dbraw/zinc/06/84/60/426068460.db2.gz ONCQBZCDHRLXPM-LJQANCHMSA-N 2 0 321.484 2.620 20 0 DFADRP C[C@H]([NH2+]CC1CC[NH+](C)CC1)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000126212155 426010206 /nfs/dbraw/zinc/01/02/06/426010206.db2.gz MPACTPFQRUORHA-ZDUSSCGKSA-N 2 0 315.461 2.909 20 0 DFADRP COc1ccc([C@@H](C)[NH2+]CC2CC[NH+](C)CC2)cc1NC(C)=O ZINC000126343164 426015168 /nfs/dbraw/zinc/01/51/68/426015168.db2.gz NZORBKUTOYLKQT-CYBMUJFWSA-N 2 0 319.449 2.646 20 0 DFADRP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]CCNc1ncc(Cl)cc1Cl ZINC000163114883 426090137 /nfs/dbraw/zinc/09/01/37/426090137.db2.gz FSGVGMCQEUXAHH-MFKMUULPSA-N 2 0 317.264 2.730 20 0 DFADRP CC[NH+]1CCN(C[C@H](C)C[NH2+]C[C@@H](C)c2ccc(F)cc2)CC1 ZINC000127872970 426090938 /nfs/dbraw/zinc/09/09/38/426090938.db2.gz ILFRLTRMXUXMQQ-IAGOWNOFSA-N 2 0 321.484 2.792 20 0 DFADRP CC[N@@H+]1CC[C@H](C[NH2+][C@@H](C)c2ccc(OCC[NH+](C)C)cc2)C1 ZINC000163217788 426093798 /nfs/dbraw/zinc/09/37/98/426093798.db2.gz HUBJROOUUKEGPK-DLBZAZTESA-N 3 0 319.493 2.619 20 0 DFADRP Cc1cccc(NC[C@H]2CC[N@H+](CCC[NH+]3CCCC3)C2)n1 ZINC000163462597 426100887 /nfs/dbraw/zinc/10/08/87/426100887.db2.gz RKJVGAWDHWTAIZ-QGZVFWFLSA-N 3 0 302.466 2.610 20 0 DFADRP CC(C)(C)[C@@H]1CCCC[C@@H]1[NH2+]CCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000128116190 426102844 /nfs/dbraw/zinc/10/28/44/426102844.db2.gz YRONTCHUSUWNBH-BBWFWOEESA-N 2 0 323.525 2.768 20 0 DFADRP C[C@H]([NH2+]CCN1CCCCC1)c1ccc(OCC[NH+](C)C)cc1 ZINC000128215609 426106844 /nfs/dbraw/zinc/10/68/44/426106844.db2.gz PTXNDFNCIRIQBY-KRWDZBQOSA-N 2 0 319.493 2.764 20 0 DFADRP C[C@@H]1CCC[N@H+](Cc2ccc(NC(=O)[C@@H]3CCC[NH2+]C3)cc2)C1 ZINC000164570939 426115046 /nfs/dbraw/zinc/11/50/46/426115046.db2.gz IWPKRASTKNEBTJ-NVXWUHKLSA-N 2 0 315.461 2.857 20 0 DFADRP CC[C@H]([NH3+])C(=O)NCc1ccc(C[NH+]2C[C@@H](C)C[C@H](C)C2)cc1 ZINC000164840581 426118691 /nfs/dbraw/zinc/11/86/91/426118691.db2.gz RRKSAPWGIXHVFE-MPGHIAIKSA-N 2 0 317.477 2.518 20 0 DFADRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@H]1CCCOc2ccc(F)cc21 ZINC000165956820 426124180 /nfs/dbraw/zinc/12/41/80/426124180.db2.gz GWVNBKLDYUIPRV-WBVHZDCISA-N 2 0 324.440 2.986 20 0 DFADRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@H](C)c1ccc(F)c(F)c1 ZINC000166057115 426125958 /nfs/dbraw/zinc/12/59/58/426125958.db2.gz HMEXEPINKGMRRU-TZMCWYRMSA-N 2 0 300.393 2.972 20 0 DFADRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@@H](C)c1cc(F)cc(F)c1 ZINC000166004433 426126462 /nfs/dbraw/zinc/12/64/62/426126462.db2.gz BAXICSDNZRGBQE-BLLLJJGKSA-N 2 0 300.393 2.972 20 0 DFADRP C[C@H]1C[C@@H](N[C@H]2CC[NH+](C)[C@@H](C)C2)C[N@@H+]1Cc1ccccc1 ZINC000166337594 426127532 /nfs/dbraw/zinc/12/75/32/426127532.db2.gz AZPRWTRAZHBWOO-PBWTXFEYSA-N 2 0 301.478 2.722 20 0 DFADRP Cc1ccc2c(c1)[C@@H]([NH2+][C@H](C)CN1CC[NH+](C)CC1)CCC2 ZINC000166532095 426128944 /nfs/dbraw/zinc/12/89/44/426128944.db2.gz YNDDDWVBWBWQPG-APWZRJJASA-N 2 0 301.478 2.598 20 0 DFADRP Cc1ccc2c(c1)[C@H]([NH2+][C@H](C)CN1CC[NH+](C)CC1)CCC2 ZINC000166531977 426129137 /nfs/dbraw/zinc/12/91/37/426129137.db2.gz YNDDDWVBWBWQPG-VQIMIIECSA-N 2 0 301.478 2.598 20 0 DFADRP C[C@@H]([NH2+]C[C@@]1(C)CCCO1)c1cccc(OCC[NH+](C)C)c1 ZINC000167045195 426131382 /nfs/dbraw/zinc/13/13/82/426131382.db2.gz DLXBMUOTCOJBCE-CRAIPNDOSA-N 2 0 306.450 2.847 20 0 DFADRP CC(C)[C@H](C[NH2+]C[C@@H](C)c1ccc(F)cc1)N1CC[NH+](C)CC1 ZINC000127578461 426073431 /nfs/dbraw/zinc/07/34/31/426073431.db2.gz JTQQMFVZCLNPFF-APWZRJJASA-N 2 0 321.484 2.791 20 0 DFADRP CC[C@H]([NH2+]Cc1ccccc1C[N@H+]1C[C@H](C)C[C@H](C)C1)C(N)=O ZINC000112529668 426081598 /nfs/dbraw/zinc/08/15/98/426081598.db2.gz ACRHLVCGMBMTRS-DAYGRLMNSA-N 2 0 317.477 2.518 20 0 DFADRP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CC[NH+](CCc2ccccc2)CC1 ZINC000112648793 426086008 /nfs/dbraw/zinc/08/60/08/426086008.db2.gz KHJDLXJVMLWREF-RTBURBONSA-N 2 0 315.505 2.720 20 0 DFADRP CN(C(=O)CC[N@H+](C)CC[C@@H]1CCCC[NH+]1C)c1ccccc1 ZINC000135103051 426204950 /nfs/dbraw/zinc/20/49/50/426204950.db2.gz FDDHTZIIZWLHMU-KRWDZBQOSA-N 2 0 317.477 2.846 20 0 DFADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@@H](c2cccc(F)c2)N(C)C)[C@H](C)C1 ZINC000133446064 426177774 /nfs/dbraw/zinc/17/77/74/426177774.db2.gz IGRSHESXTVRDGE-JLSDUUJJSA-N 2 0 307.457 2.748 20 0 DFADRP CC(C)C[N@@H+]1CCC[C@@H](CN2CCN(c3ccccn3)CC2)C1 ZINC000133454060 426178633 /nfs/dbraw/zinc/17/86/33/426178633.db2.gz ZKEAHYFPYJTHBQ-SFHVURJKSA-N 2 0 316.493 2.572 20 0 DFADRP C[C@H]1C[NH+](CC2CC[NH+](CCOC(C)(C)C)CC2)C[C@H](C)O1 ZINC000171304233 426182462 /nfs/dbraw/zinc/18/24/62/426182462.db2.gz MVTFOOFEHCOGBT-HOTGVXAUSA-N 2 0 312.498 2.623 20 0 DFADRP CC[N@@H+]1CC[C@@H]([NH+](C)CCC(=O)Nc2ccccc2C)[C@H](C)C1 ZINC000079461608 426193232 /nfs/dbraw/zinc/19/32/32/426193232.db2.gz PNUUTWFEFICJLL-SJLPKXTDSA-N 2 0 317.477 2.986 20 0 DFADRP CCC[N@H+](C)C[C@@H]1CC[NH+](CCC(=O)NCC2CCCCC2)C1 ZINC000081572262 426224271 /nfs/dbraw/zinc/22/42/71/426224271.db2.gz RAWCUXQFOXNSTH-SFHVURJKSA-N 2 0 323.525 2.737 20 0 DFADRP C[NH+](CCCC[N@@H+](C)C[C@@H]1CCCCO1)C[C@@H]1CCCCO1 ZINC000118401414 426235153 /nfs/dbraw/zinc/23/51/53/426235153.db2.gz RLJCRMRGOGKSRB-ROUUACIJSA-N 2 0 312.498 2.768 20 0 DFADRP CC[NH+]1CCN([C@H](C)CNc2cc[nH+]c3cc(F)ccc23)CC1 ZINC000084789281 426245785 /nfs/dbraw/zinc/24/57/85/426245785.db2.gz NYNLFDRXTPUEGS-CQSZACIVSA-N 2 0 316.424 2.812 20 0 DFADRP CC[N@H+](C)C[C@@H]1CC[NH+](CCC(=O)Nc2ccc(Cl)cc2)C1 ZINC000173890168 426250601 /nfs/dbraw/zinc/25/06/01/426250601.db2.gz IYQFBJQNZQLMCB-AWEZNQCLSA-N 2 0 323.868 2.942 20 0 DFADRP CCCC[N@H+](C)CC1CCN(C(=O)C[NH+]2CCC(C)CC2)CC1 ZINC000137289162 426252862 /nfs/dbraw/zinc/25/28/62/426252862.db2.gz LYRJAWUNHQMYOJ-UHFFFAOYSA-N 2 0 323.525 2.689 20 0 DFADRP CC[N@@H+]1CC[C@@H](NC[C@@H]2CCC[NH+]2Cc2ccccc2)[C@H](C)C1 ZINC000119110629 426262635 /nfs/dbraw/zinc/26/26/35/426262635.db2.gz IZTBVOJDZCALAA-YZGWKJHDSA-N 2 0 315.505 2.971 20 0 DFADRP C[C@@H]([NH2+]C1CCN(CC[NH+](C)C)CC1)c1ccc2c(c1)CCC2 ZINC000150961690 426269418 /nfs/dbraw/zinc/26/94/18/426269418.db2.gz XSVIMAITLUZYND-MRXNPFEDSA-N 2 0 315.505 2.852 20 0 DFADRP CCC[N@H+](C)C[C@@H]1CCN(Cc2cccc(C(=O)N(C)C)c2)C1 ZINC000174953359 426270547 /nfs/dbraw/zinc/27/05/47/426270547.db2.gz MTTXZMZNBOQHNP-KRWDZBQOSA-N 2 0 317.477 2.552 20 0 DFADRP C[C@H]1Cc2ccc(F)cc2[C@@H]1[NH2+]C1CCN(CC[NH+](C)C)CC1 ZINC000151004860 426272047 /nfs/dbraw/zinc/27/20/47/426272047.db2.gz FLSVHGNAZRDDGG-IFXJQAMLSA-N 2 0 319.468 2.675 20 0 DFADRP CC1CC[NH+](CCNC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)CC1 ZINC000339263738 268785253 /nfs/dbraw/zinc/78/52/53/268785253.db2.gz JZMHEJLXTUGHRT-SFHVURJKSA-N 2 0 321.509 2.632 20 0 DFADRP CCC[C@@H](C)[C@@H]1CCC[N@@H+]1CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000135331364 426214169 /nfs/dbraw/zinc/21/41/69/426214169.db2.gz UDFFDYXWFBKARI-QAPCUYQASA-N 2 0 321.509 2.630 20 0 DFADRP CC(C)[C@@H](Cc1ccc(F)cc1)[NH2+]C[C@@H](O)C[NH+]1CCCCC1 ZINC000151298168 426288749 /nfs/dbraw/zinc/28/87/49/426288749.db2.gz ASWJDCVXSMCOPN-RTBURBONSA-N 2 0 322.468 2.829 20 0 DFADRP OCC[NH+]1CCC(C[NH2+][C@@H]2CCSc3ccc(F)cc32)CC1 ZINC000151786208 426312394 /nfs/dbraw/zinc/31/23/94/426312394.db2.gz LQAWBIKXUFZKPT-MRXNPFEDSA-N 2 0 324.465 2.657 20 0 DFADRP CCc1ccc([C@@H](C)[NH2+]C[C@H](C)CN2CC[NH+](C)CC2)cc1 ZINC000120822614 426315895 /nfs/dbraw/zinc/31/58/95/426315895.db2.gz XILVBVDDVNMEMY-DLBZAZTESA-N 2 0 303.494 2.783 20 0 DFADRP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@H](C)c2cccnc2Cl)CC1 ZINC000121196981 426322872 /nfs/dbraw/zinc/32/28/72/426322872.db2.gz SJSIOOWYMJUKKZ-HUUCEWRRSA-N 2 0 324.900 2.659 20 0 DFADRP C[C@H]([NH2+]C[C@@H]1CCC[N@H+](C)C1)c1ccc2c(c1)OCCCO2 ZINC000121222300 426325753 /nfs/dbraw/zinc/32/57/53/426325753.db2.gz CNWFTWAZQVBCBM-GJZGRUSLSA-N 2 0 304.434 2.840 20 0 DFADRP CC[N@H+](C)C[C@H]1CC[NH+](CCN2CCCc3ccccc32)C1 ZINC000090551758 426327248 /nfs/dbraw/zinc/32/72/48/426327248.db2.gz HIHPPMCPCPNZPA-QGZVFWFLSA-N 2 0 301.478 2.713 20 0 DFADRP C[N@H+](CCCCCCO)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000175776853 426327628 /nfs/dbraw/zinc/32/76/28/426327628.db2.gz YGIKYJBLHYMACF-IBGZPJMESA-N 2 0 304.478 2.993 20 0 DFADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1[NH2+]CCc1nnc(-c2ccccc2)o1 ZINC000090659840 426329723 /nfs/dbraw/zinc/32/97/23/426329723.db2.gz QEIIEVODAHKLJJ-YCPHGPKFSA-N 2 0 314.433 2.597 20 0 DFADRP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@@H](C)c2ccc(OC)cc2)CC1 ZINC000121348232 426336861 /nfs/dbraw/zinc/33/68/61/426336861.db2.gz PDJRBLMIYYQRPT-SJORKVTESA-N 2 0 319.493 2.619 20 0 DFADRP Cn1nccc1C[N@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000091085045 426338853 /nfs/dbraw/zinc/33/88/53/426338853.db2.gz QDOAAVBLLNEAAF-UHFFFAOYSA-N 2 0 313.449 2.554 20 0 DFADRP CCC[N@@H+]1CC[C@H](C[NH2+]C2CCN(c3nc(C)cs3)CC2)C1 ZINC000151103500 426277730 /nfs/dbraw/zinc/27/77/30/426277730.db2.gz VZXFOQJSJUTBDO-OAHLLOKOSA-N 2 0 322.522 2.742 20 0 DFADRP CCC[N@@H+]1CC[C@H](C[NH2+]C2CCN(c3ccccc3)CC2)C1 ZINC000151121081 426279949 /nfs/dbraw/zinc/27/99/49/426279949.db2.gz FICLRTWBLXEOGW-QGZVFWFLSA-N 2 0 301.478 2.977 20 0 DFADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1[NH2+]CC1CCN(c2cc[nH+]cc2)CC1 ZINC000089214967 426282223 /nfs/dbraw/zinc/28/22/23/426282223.db2.gz JQQZQVHHAQELDL-JTDSTZFVSA-N 3 0 316.493 2.616 20 0 DFADRP Cc1nccn1-c1ccc([C@@H](C)[NH2+]C[C@H](O)C(F)(F)F)cc1 ZINC000151223488 426285080 /nfs/dbraw/zinc/28/50/80/426285080.db2.gz PQPMRHQZSSXPQC-YGRLFVJLSA-N 2 0 313.323 2.755 20 0 DFADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+][C@@H](C)c2cccc(C)c2)CC1 ZINC000121381515 426339228 /nfs/dbraw/zinc/33/92/28/426339228.db2.gz WMVNWUHDNCKSIP-ROUUACIJSA-N 2 0 303.494 2.919 20 0 DFADRP CCc1nc(C)c([C@@H](C)NC[C@@H](O)C[NH+]2CCCCC2)s1 ZINC000151251051 426285787 /nfs/dbraw/zinc/28/57/87/426285787.db2.gz QSVFSTVOHVXOQJ-TZMCWYRMSA-N 2 0 311.495 2.511 20 0 DFADRP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]CC(C)(C)c1ccc2c(c1)OCO2 ZINC000122821587 426396585 /nfs/dbraw/zinc/39/65/85/426396585.db2.gz KUKMADBRKDTMDX-HIFRSBDPSA-N 2 0 304.434 2.623 20 0 DFADRP CC(=O)Nc1cccc([C@@H](C)[NH2+]C2CCN(C3CC3)CC2)c1 ZINC000122841799 426397259 /nfs/dbraw/zinc/39/72/59/426397259.db2.gz HYOQLNSBYMOWKP-CYBMUJFWSA-N 2 0 301.434 2.922 20 0 DFADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]Cc1ccc(-n2ccnc2)c(F)c1 ZINC000153652580 426397993 /nfs/dbraw/zinc/39/79/93/426397993.db2.gz WHQOIFBNODZXPS-CKEIUWERSA-N 2 0 316.424 2.830 20 0 DFADRP CCCCNC(=O)CC[NH+]1CCC(CCC[NH+]2CCCC2)CC1 ZINC000121940427 426356988 /nfs/dbraw/zinc/35/69/88/426356988.db2.gz RVFJQSIVJIWHQO-UHFFFAOYSA-N 2 0 323.525 2.881 20 0 DFADRP C[C@H]([NH3+])[C@H]1CCCCN1C(=O)c1cccc(C[NH+]2CCCC2)c1 ZINC000122159847 426362214 /nfs/dbraw/zinc/36/22/14/426362214.db2.gz OANSUNDQWSSHDC-MAUKXSAKSA-N 2 0 315.461 2.624 20 0 DFADRP CC[NH+](CC)[C@H](CNC(=O)c1ccc(C[NH3+])o1)c1ccccc1 ZINC000176443947 426382458 /nfs/dbraw/zinc/38/24/58/426382458.db2.gz LTUBEVCSTDOKHS-MRXNPFEDSA-N 2 0 315.417 2.551 20 0 DFADRP C[C@H](c1ccc(F)c(F)c1)[N@H+](C)CCCN1CC[NH+](C)CC1 ZINC000122662998 426387307 /nfs/dbraw/zinc/38/73/07/426387307.db2.gz JOYMNSFCLFBXFN-CQSZACIVSA-N 2 0 311.420 2.595 20 0 DFADRP CC[C@H]([NH2+]CCCN1CCc2ccccc2C1)c1cnn(C)c1 ZINC000122758159 426392146 /nfs/dbraw/zinc/39/21/46/426392146.db2.gz ZQQYTIDSMGQEJP-IBGZPJMESA-N 2 0 312.461 2.909 20 0 DFADRP CC[C@H]([NH2+]CC1CC[NH+](C)CC1)c1ccc(C(=O)OC)cc1 ZINC000340229286 268952786 /nfs/dbraw/zinc/95/27/86/268952786.db2.gz UBDNJZDJWGJUML-KRWDZBQOSA-N 2 0 304.434 2.856 20 0 DFADRP C[NH+](C)CCCC1CC[NH+](CC(=O)NCCC(C)(C)C)CC1 ZINC000123151783 426415652 /nfs/dbraw/zinc/41/56/52/426415652.db2.gz FELDATJNOXRNGH-UHFFFAOYSA-N 2 0 311.514 2.593 20 0 DFADRP COc1ccc2oc(C[NH2+]CCCC[NH+]3CCOCC3)cc2c1 ZINC000123310933 426426419 /nfs/dbraw/zinc/42/64/19/426426419.db2.gz SJSSEFNKYFZIJA-UHFFFAOYSA-N 2 0 318.417 2.643 20 0 DFADRP C[C@@H]1C[C@@H]1c1ccc(C[NH2+]CCN2CCC([NH+](C)C)CC2)o1 ZINC000176990040 426430410 /nfs/dbraw/zinc/43/04/10/426430410.db2.gz DHHAFMKHJYSXIM-PBHICJAKSA-N 2 0 305.466 2.519 20 0 DFADRP CCCC[C@@H]([NH3+])C(=O)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000154559565 426446532 /nfs/dbraw/zinc/44/65/32/426446532.db2.gz WDFJOKQCQRVAPO-DLBZAZTESA-N 2 0 309.498 2.619 20 0 DFADRP C[N@H+](Cc1ccccc1)CC(C)(C)C[NH2+]CCc1cnccn1 ZINC000341313110 269066852 /nfs/dbraw/zinc/06/68/52/269066852.db2.gz JKVWUNLOTCDNED-UHFFFAOYSA-N 2 0 312.461 2.767 20 0 DFADRP C[C@H](C(=O)NCC[NH+]1[C@H](C)CCC[C@@H]1C)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000341430845 269076165 /nfs/dbraw/zinc/07/61/65/269076165.db2.gz QFEJPNSUUIQMOL-BPKGMFCQSA-N 2 0 309.498 2.627 20 0 DFADRP C[C@H]1CCCC[N@@H+]1CCCNC(=O)c1cccc(C[NH+](C)C)c1 ZINC000155526883 426473348 /nfs/dbraw/zinc/47/33/48/426473348.db2.gz QGSSAEQFXZZQPR-INIZCTEOSA-N 2 0 317.477 2.743 20 0 DFADRP CC[N@@H+]1CC[C@H](CNCc2cccc(OC)c2OC(F)F)C1 ZINC000124173183 426474037 /nfs/dbraw/zinc/47/40/37/426474037.db2.gz RDNDCSDOPUGSAI-GFCCVEGCSA-N 2 0 314.376 2.728 20 0 DFADRP C[C@H]([NH2+]CC1CC[NH+](CCN(C)C)CC1)c1ccccc1F ZINC000124315679 426479975 /nfs/dbraw/zinc/47/99/75/426479975.db2.gz BKAVPYNXNXUVDI-HNNXBMFYSA-N 2 0 307.457 2.750 20 0 DFADRP C[C@H](CCc1ccc2c(c1)OCO2)[NH2+]C[C@H]1CC[N@@H+](C2CC2)C1 ZINC000124382522 426482766 /nfs/dbraw/zinc/48/27/66/426482766.db2.gz FLLUTKAHYQCTBE-GDBMZVCRSA-N 2 0 316.445 2.810 20 0 DFADRP CC[C@H]([NH2+][C@@H](C)CCN1CC[NH+](C)CC1)c1ccccc1OC ZINC000186581299 426554655 /nfs/dbraw/zinc/55/46/55/426554655.db2.gz NDUBQXKZEBQIIR-WMZOPIPTSA-N 2 0 319.493 2.762 20 0 DFADRP C[C@H](C[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1)N1CCc2sccc2C1 ZINC000177864198 426530539 /nfs/dbraw/zinc/53/05/39/426530539.db2.gz LNBXDCRPFTYRJH-IIAWOOMASA-N 2 0 307.507 2.567 20 0 DFADRP OCc1ccc(C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)cc1 ZINC000272498607 426541305 /nfs/dbraw/zinc/54/13/05/426541305.db2.gz NQXOYQPRFCTPEZ-PKOBYXMFSA-N 2 0 300.446 2.628 20 0 DFADRP C[C@@H]([NH2+]CC1(C)CC[NH+](C)CC1)c1ccc(-n2cncn2)cc1 ZINC000272505766 426542297 /nfs/dbraw/zinc/54/22/97/426542297.db2.gz FILSBQLBGIMAIP-OAHLLOKOSA-N 2 0 313.449 2.650 20 0 DFADRP C/C=C/C[C@H](CO)[NH2+][C@@H](C)c1ccc(OCC[NH+](C)C)cc1 ZINC000186520515 426542661 /nfs/dbraw/zinc/54/26/61/426542661.db2.gz SYRNESPKDRJTMQ-QRBHQTINSA-N 2 0 306.450 2.605 20 0 DFADRP C[C@@H](CCN1CC[NH+](C)CC1)[NH2+][C@@H](C)c1cc(F)cc(F)c1 ZINC000186569590 426553041 /nfs/dbraw/zinc/55/30/41/426553041.db2.gz WUVBZPSXGLOSLY-KBPBESRZSA-N 2 0 311.420 2.641 20 0 DFADRP CSCCC[NH+]1CCC(CC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000177510439 426490468 /nfs/dbraw/zinc/49/04/68/426490468.db2.gz SMZWURPQUHOZJA-HZPDHXFCSA-N 2 0 314.539 2.951 20 0 DFADRP CC[C@@H]([NH2+]C[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1cnn(C)c1 ZINC000195136299 426501873 /nfs/dbraw/zinc/50/18/73/426501873.db2.gz HCRMZRALENMXEA-PKOBYXMFSA-N 2 0 312.461 2.983 20 0 DFADRP C[C@H]([NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]12)c1cn[nH]c1 ZINC000272602689 426568931 /nfs/dbraw/zinc/56/89/31/426568931.db2.gz URUICGMQZVVDJR-QNDJGXFYSA-N 2 0 310.445 2.971 20 0 DFADRP COc1ccccc1C[N@H+](CCO)CCCc1cnccc1C ZINC000289031879 426572158 /nfs/dbraw/zinc/57/21/58/426572158.db2.gz HCICPKQMIUUUQC-UHFFFAOYSA-N 2 0 314.429 2.826 20 0 DFADRP CCO[C@H](CC[NH+](C)C)C[NH2+]CCCc1ccc2c(c1)CCO2 ZINC000280447733 426577642 /nfs/dbraw/zinc/57/76/42/426577642.db2.gz DEFFJWYUUUGXMR-GOSISDBHSA-N 2 0 320.477 2.501 20 0 DFADRP CC[NH+]1CCN(CCC[NH2+][C@@H]2C[C@@H](C)c3ccccc32)CC1 ZINC000289153783 426592160 /nfs/dbraw/zinc/59/21/60/426592160.db2.gz GOFVIPLCVRJKTF-VQIMIIECSA-N 2 0 301.478 2.852 20 0 DFADRP Cc1n[nH]cc1C[NH2+][C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000273120710 426597477 /nfs/dbraw/zinc/59/74/77/426597477.db2.gz ZHLOSVDMEGDLCU-YTQUADARSA-N 2 0 310.445 2.718 20 0 DFADRP C[C@H]([NH2+]CCNc1ccccn1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272564269 426561633 /nfs/dbraw/zinc/56/16/33/426561633.db2.gz HANSSEMDMWMTBB-PKOBYXMFSA-N 2 0 324.472 2.994 20 0 DFADRP C[N@H+](C[C@H](O)Cc1ccc2ccccc2c1)C[C@H]1CC[NH+](C)C1 ZINC000280391455 426563299 /nfs/dbraw/zinc/56/32/99/426563299.db2.gz WWNDNULQZZOKMX-FXAWDEMLSA-N 2 0 312.457 2.627 20 0 DFADRP CC(C)[C@@H](CO)[NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]12 ZINC000272574350 426563823 /nfs/dbraw/zinc/56/38/23/426563823.db2.gz PNAPAPPLOAJKHT-FCGDIQPGSA-N 2 0 302.462 2.504 20 0 DFADRP [NH3+][C@@H]1CCC[C@H]2CN(Cc3cc(-c4cccs4)on3)C[C@H]21 ZINC000228474679 426632344 /nfs/dbraw/zinc/63/23/44/426632344.db2.gz JKBFBIHOYAKJKK-IACUBPJLSA-N 2 0 303.431 2.962 20 0 DFADRP CCCc1cccc(C[NH2+]CCCC[N@@H+]2CCC[C@H]2CO)c1 ZINC000187229382 426640136 /nfs/dbraw/zinc/64/01/36/426640136.db2.gz SVHHRHNEHBJXMT-IBGZPJMESA-N 2 0 304.478 2.966 20 0 DFADRP C[C@@H](C[NH+]1CCC(C[NH+]2CCN(C)CC2)CC1)c1ccccc1 ZINC000289397956 426646957 /nfs/dbraw/zinc/64/69/57/426646957.db2.gz GBQRGWVNIXOCBA-SFHVURJKSA-N 2 0 315.505 2.750 20 0 DFADRP CN(C)[C@@]1(C[NH2+]CCCc2ccc3c(c2)CCO3)CCSC1 ZINC000280761059 426650755 /nfs/dbraw/zinc/65/07/55/426650755.db2.gz FKLDAIJJBOGGPZ-GOSISDBHSA-N 2 0 320.502 2.581 20 0 DFADRP Cc1ccc(NC(=O)CN(C)[C@H]2CCC[NH2+]CC2)cc1Cl ZINC000231669402 426651044 /nfs/dbraw/zinc/65/10/44/426651044.db2.gz FMASKMRJNOWXQL-AWEZNQCLSA-N 2 0 309.841 2.661 20 0 DFADRP C[C@@H](c1nc2ccccc2c(=O)[nH]1)N1CCC(c2ncc[nH]2)CC1 ZINC000265548882 426652741 /nfs/dbraw/zinc/65/27/41/426652741.db2.gz YIBJYRWNBNYRPS-LBPRGKRZSA-N 2 0 323.400 2.999 20 0 DFADRP O=C(Nc1ccc(C[NH+]2CCCCCC2)cc1)[C@@]1(F)CC[NH2+]C1 ZINC000178742511 426687014 /nfs/dbraw/zinc/68/70/14/426687014.db2.gz AXRJQXMAHQWQFF-GOSISDBHSA-N 2 0 319.424 2.703 20 0 DFADRP c1cc2cccc(C[NH2+]C3CC[NH+](C[C@H]4CCOC4)CC3)c2[nH]1 ZINC000236591927 426664870 /nfs/dbraw/zinc/66/48/70/426664870.db2.gz SHARZBFZCSHORY-OAHLLOKOSA-N 2 0 313.445 2.758 20 0 DFADRP CCC(CC)(C[NH3+])C(=O)N1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000236643157 426668312 /nfs/dbraw/zinc/66/83/12/426668312.db2.gz CTMGHQSMBSGNFV-QGZVFWFLSA-N 2 0 323.525 2.722 20 0 DFADRP CCC(CC)(C[NH3+])C(=O)NCCCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000236661446 426670631 /nfs/dbraw/zinc/67/06/31/426670631.db2.gz RJLQSWHTPJWXDK-HZPDHXFCSA-N 2 0 311.514 2.626 20 0 DFADRP CC(C)[NH2+]Cc1cccc(OCC[N@H+](C)C2CCOCC2)c1 ZINC000236712503 426679134 /nfs/dbraw/zinc/67/91/34/426679134.db2.gz PNCMFQGASIWWLG-UHFFFAOYSA-N 2 0 306.450 2.674 20 0 DFADRP CC(C)C[C@](C)(C[NH3+])NC(=O)c1cccc(C[NH+]2CCCC2)c1 ZINC000236713408 426679377 /nfs/dbraw/zinc/67/93/77/426679377.db2.gz OSXYMZCYFGZOHV-LJQANCHMSA-N 2 0 317.477 2.776 20 0 DFADRP FC(F)(F)SCC[NH2+]C1CCN(Cc2ccccn2)CC1 ZINC000178417369 426626298 /nfs/dbraw/zinc/62/62/98/426626298.db2.gz XKINDPHCGJMKRQ-UHFFFAOYSA-N 2 0 319.396 2.889 20 0 DFADRP CC[NH+](CC)Cc1cccc(NC(=O)[C@@H]2CC23CC[NH2+]CC3)c1 ZINC000236939163 426687767 /nfs/dbraw/zinc/68/77/67/426687767.db2.gz RJDJPQQWVMBWIG-KRWDZBQOSA-N 2 0 315.461 2.857 20 0 DFADRP [NH3+][C@@H]1CCCCCC[C@@H]1C(=O)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000178752167 426687882 /nfs/dbraw/zinc/68/78/82/426687882.db2.gz JQTCGJKSPRDWKG-ZWKOTPCHSA-N 2 0 321.509 2.761 20 0 DFADRP O[C@H]1CCCC[C@@H]1[NH2+]C1CCN(CCc2ccc(F)cc2)CC1 ZINC000187884979 426703812 /nfs/dbraw/zinc/70/38/12/426703812.db2.gz LFQQNXCCWACPSN-OALUTQOASA-N 2 0 320.452 2.726 20 0 DFADRP C[N@H+](C[C@@H](O)C(C)(C)C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000290192389 426714675 /nfs/dbraw/zinc/71/46/75/426714675.db2.gz GASRYCWVAYZLMQ-QZTJIDSGSA-N 2 0 304.478 2.847 20 0 DFADRP CC[C@@H](C)NC(=O)[C@@H](C)[NH+]1CCC(CCC[NH+]2CCCC2)CC1 ZINC000178915435 426719404 /nfs/dbraw/zinc/71/94/04/426719404.db2.gz DMAFYHUSACFDIT-IAGOWNOFSA-N 2 0 323.525 2.878 20 0 DFADRP CC[C@@H](C)NC(=O)[C@H](C)[NH+]1CCC(CCC[NH+]2CCCC2)CC1 ZINC000178915460 426720108 /nfs/dbraw/zinc/72/01/08/426720108.db2.gz DMAFYHUSACFDIT-SJORKVTESA-N 2 0 323.525 2.878 20 0 DFADRP Cc1ccc(C[NH+](C)C)cc1NC(=O)[C@H]1CC[NH2+][C@@H]1C(C)C ZINC000290134141 426701007 /nfs/dbraw/zinc/70/10/07/426701007.db2.gz MAMFKOSCDSVLNW-DOTOQJQBSA-N 2 0 303.450 2.629 20 0 DFADRP C[C@H]([NH2+]CCCC[N@@H+]1CCC[C@@H]1CO)c1ccc(F)c(F)c1 ZINC000266743429 426771739 /nfs/dbraw/zinc/77/17/39/426771739.db2.gz ABHSSVKRULZEMU-DZGCQCFKSA-N 2 0 312.404 2.852 20 0 DFADRP C[C@@H]1C[C@H]([NH2+]CCN2CC[N@H+](C)C(C)(C)C2)c2ccccc21 ZINC000290478850 426773879 /nfs/dbraw/zinc/77/38/79/426773879.db2.gz XHZOJTKNXGSNGP-QAPCUYQASA-N 2 0 301.478 2.851 20 0 DFADRP C[C@H]1CCC[N@H+](Cc2ccc(NC(=O)[C@H]3C[C@H](F)C[NH2+]3)cc2)C1 ZINC000188712806 426780955 /nfs/dbraw/zinc/78/09/55/426780955.db2.gz YMKALYRHDKKFFV-JLJPHGGASA-N 2 0 319.424 2.557 20 0 DFADRP CCCn1ccnc1CCC[N@H+](C)Cc1cnc([C@H](C)O)s1 ZINC000290521828 426783252 /nfs/dbraw/zinc/78/32/52/426783252.db2.gz QBEYGUSSEAREGW-ZDUSSCGKSA-N 2 0 322.478 2.868 20 0 DFADRP Cc1cnc(CN2CCC[C@H](c3ncc4n3CCCC4)C2)o1 ZINC000281878943 426784130 /nfs/dbraw/zinc/78/41/30/426784130.db2.gz AGBAHVQACHOXMY-AWEZNQCLSA-N 2 0 300.406 2.895 20 0 DFADRP Fc1ccc([C@@H]2CN(CC3CC[NH2+]CC3)CCO2)cc1Cl ZINC000178971689 426727232 /nfs/dbraw/zinc/72/72/32/426727232.db2.gz NMKFNMRRJKXJQS-INIZCTEOSA-N 2 0 312.816 2.852 20 0 DFADRP C[N@H+](CCc1ccc(Br)cc1)CC1CC[NH2+]CC1 ZINC000178971960 426727857 /nfs/dbraw/zinc/72/78/57/426727857.db2.gz JLOPDGNKTYYDDJ-UHFFFAOYSA-N 2 0 311.267 2.923 20 0 DFADRP CC[N@@H+]1CC[C@H](N(C)CC(=O)N(C)[C@H](C)CC(C)C)[C@@H](C)C1 ZINC000245436160 426739042 /nfs/dbraw/zinc/73/90/42/426739042.db2.gz QTZHSXOIGQQNNQ-BBWFWOEESA-N 2 0 311.514 2.542 20 0 DFADRP C[N@@H+]1CC[C@H]2[C@H](CCCN2Cc2cnn(Cc3ccccc3)c2)C1 ZINC000290343638 426745659 /nfs/dbraw/zinc/74/56/59/426745659.db2.gz FPIMDPQJBBLTEF-UXHICEINSA-N 2 0 324.472 2.848 20 0 DFADRP COc1ccc(C[N@@H+]2CC[C@H](C3CC[NH+](C)CC3)C2)cc1OC ZINC000290348740 426747529 /nfs/dbraw/zinc/74/75/29/426747529.db2.gz FYLYNTHGLIOGPJ-KRWDZBQOSA-N 2 0 318.461 2.868 20 0 DFADRP CCN1CC[NH+](CCCC[NH2+][C@H](C)c2ccc(Cl)nc2)CC1 ZINC000179104507 426751642 /nfs/dbraw/zinc/75/16/42/426751642.db2.gz JHBVOKFXGLXLLS-OAHLLOKOSA-N 2 0 324.900 2.803 20 0 DFADRP COc1ccc(C[C@H](C)C[NH2+]CC2=CC[N@H+](C)CC2)cc1F ZINC000274411389 426763360 /nfs/dbraw/zinc/76/33/60/426763360.db2.gz JBJLBHDJXOMWRH-AWEZNQCLSA-N 2 0 306.425 2.864 20 0 DFADRP C[C@@H](C(=O)Nc1ccc(C[NH+](C)C)cc1)[NH+]1[C@H](C)CC[C@H]1C ZINC000266933943 426798488 /nfs/dbraw/zinc/79/84/88/426798488.db2.gz NNPVIROSGFIBLZ-KFWWJZLASA-N 2 0 303.450 2.948 20 0 DFADRP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)C2(C[NH3+])CCCC2)C1 ZINC000246163242 426805275 /nfs/dbraw/zinc/80/52/75/426805275.db2.gz ALPUOOVQRQKOPC-IAGOWNOFSA-N 2 0 321.509 2.619 20 0 DFADRP CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)[C@H]2CCC[C@H]([NH3+])C2)C1 ZINC000246197654 426809725 /nfs/dbraw/zinc/80/97/25/426809725.db2.gz DPPHCHQNGJFPQO-PMPSAXMXSA-N 2 0 309.498 2.521 20 0 DFADRP COCC[C@H]1CCC[C@H]1[NH2+]Cc1ccccc1OCC[NH+](C)C ZINC000282036171 426817819 /nfs/dbraw/zinc/81/78/19/426817819.db2.gz FTHHKLMGOPJDMP-SJLPKXTDSA-N 2 0 320.477 2.922 20 0 DFADRP Cc1cc([C@@H](C)[NH2+]CC2CCN(c3cc[nH+]cc3)CC2)no1 ZINC000290733299 426827674 /nfs/dbraw/zinc/82/76/74/426827674.db2.gz PNCYTAQFZDSQOI-CQSZACIVSA-N 2 0 300.406 2.945 20 0 DFADRP CC[C@H](CCO)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000180147787 426837445 /nfs/dbraw/zinc/83/74/45/426837445.db2.gz MZDPGYLUUBRRIW-MVCQKVDPSA-N 2 0 302.462 2.933 20 0 DFADRP CC[C@H]([NH2+]C[C@H](C)N1CC[NH+](CC)CC1)c1ccccc1F ZINC000180119572 426838617 /nfs/dbraw/zinc/83/86/17/426838617.db2.gz IJSNIESCQVMPMZ-YJBOKZPZSA-N 2 0 307.457 2.892 20 0 DFADRP COCC[C@@H](C)[NH2+][C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000180162841 426841374 /nfs/dbraw/zinc/84/13/74/426841374.db2.gz TWIBGGAABZRWFV-XGXHKWSGSA-N 2 0 302.462 2.912 20 0 DFADRP CC[C@](C)(O)C[N@@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000310024966 426919116 /nfs/dbraw/zinc/91/91/16/426919116.db2.gz UFRHMTBWXGVTOG-FHWLQOOXSA-N 2 0 302.462 2.601 20 0 DFADRP C[C@H]1[C@@H]([NH2+]Cc2ccc(CO)cc2)CCN1Cc1ccccc1 ZINC000309882109 426919608 /nfs/dbraw/zinc/91/96/08/426919608.db2.gz JWDPIGZETOWHPA-JXFKEZNVSA-N 2 0 310.441 2.932 20 0 DFADRP CC[N@@H+]1CCC[C@H](CNC(=O)Nc2cccc(C[NH+](C)C)c2)C1 ZINC000337682905 426919735 /nfs/dbraw/zinc/91/97/35/426919735.db2.gz OBPOORWVAZSAPP-MRXNPFEDSA-N 2 0 318.465 2.602 20 0 DFADRP COc1cccc([C@@H](C)[N@H+](C)CC2CC[NH+](C[C@H](C)O)CC2)c1 ZINC000247273408 426920548 /nfs/dbraw/zinc/92/05/48/426920548.db2.gz WPLDZAHKFZKMHL-JKSUJKDBSA-N 2 0 320.477 2.781 20 0 DFADRP C[N@@H+]1CCN(CC[NH2+][C@H](Cc2ccccc2)C2CC2)CC1(C)C ZINC000282232371 426860218 /nfs/dbraw/zinc/86/02/18/426860218.db2.gz IOPAEEQYUPQDBN-LJQANCHMSA-N 2 0 315.505 2.623 20 0 DFADRP CC(C)[C@@H](Cc1ccccc1)[NH2+]CCN1CC[N@H+](C)C(C)(C)C1 ZINC000282232575 426861484 /nfs/dbraw/zinc/86/14/84/426861484.db2.gz IPERDXPNHRLMOK-LJQANCHMSA-N 2 0 317.521 2.869 20 0 DFADRP C[C@@H](CC(N)=O)[NH2+]CC1(N[C@@H](C)c2ccccc2)CCCC1 ZINC000267294998 426865899 /nfs/dbraw/zinc/86/58/99/426865899.db2.gz YZXQLSBMHVMRSO-GJZGRUSLSA-N 2 0 303.450 2.504 20 0 DFADRP C[C@@H](C[NH2+]Cc1ccc(-c2cnn(C)c2)s1)C[NH+]1CCCC1 ZINC000282266714 426866644 /nfs/dbraw/zinc/86/66/44/426866644.db2.gz OIGAROBTSKKXNY-AWEZNQCLSA-N 2 0 318.490 2.970 20 0 DFADRP CC[N@@H+]1CC[C@H]([NH2+]CC(C)(C)NC(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000246827552 426871003 /nfs/dbraw/zinc/87/10/03/426871003.db2.gz AYHHDINUKGWZQJ-KBPBESRZSA-N 2 0 313.486 2.610 20 0 DFADRP C[C@H]([NH2+]CCN1CC[N@H+](C)C(C)(C)C1)c1ccc(F)c(F)c1 ZINC000282286900 426871592 /nfs/dbraw/zinc/87/15/92/426871592.db2.gz LJOTYLUDPCROFQ-ZDUSSCGKSA-N 2 0 311.420 2.641 20 0 DFADRP CC[C@H](C(=O)Nc1ccccc1CC[NH+](C)C)[NH+](CC)CC ZINC000275643854 426885562 /nfs/dbraw/zinc/88/55/62/426885562.db2.gz MAJQGKOHWHOPAN-QGZVFWFLSA-N 2 0 305.466 2.850 20 0 DFADRP C[C@@H](C(=O)Nc1ccccc1CC[NH+](C)C)[NH+]1CCCCCC1 ZINC000275693471 426898608 /nfs/dbraw/zinc/89/86/08/426898608.db2.gz WLZHAHZJFWXCEW-INIZCTEOSA-N 2 0 317.477 2.994 20 0 DFADRP C[C@H]1Cc2ccccc2N1CC[NH2+][C@H]1C[C@@H](C)[N@H+](C)C[C@H]1C ZINC000247112536 426903550 /nfs/dbraw/zinc/90/35/50/426903550.db2.gz TYOPSGNJAWNZRL-CBZIJGRNSA-N 2 0 301.478 2.756 20 0 DFADRP CC[N@@H+]1CC[C@@H]([NH2+]CCCN(C)C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000247148865 426908572 /nfs/dbraw/zinc/90/85/72/426908572.db2.gz WVQHQBKHTXNDMW-LSDHHAIUSA-N 2 0 313.486 2.563 20 0 DFADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@@H](C)N2CCc3ccccc3C2)[C@@H](C)C1 ZINC000247164725 426909360 /nfs/dbraw/zinc/90/93/60/426909360.db2.gz XZNSYDBVDMKYOI-QKLQHJQFSA-N 2 0 315.505 2.753 20 0 DFADRP C[NH+](C)[C@]1(CN[C@H](c2ncc[nH]2)c2ccccc2)CCSC1 ZINC000275926775 426949502 /nfs/dbraw/zinc/94/95/02/426949502.db2.gz WVQDBLLYWQRXHB-RDJZCZTQSA-N 2 0 316.474 2.526 20 0 DFADRP CC(C)C[C@H](C[NH3+])CC(=O)NC[C@@]1([NH+](C)C)CCC[C@H](C)C1 ZINC000316745270 426949638 /nfs/dbraw/zinc/94/96/38/426949638.db2.gz LKBFZCIBEJHRLL-XYJFISCASA-N 2 0 311.514 2.624 20 0 DFADRP CC[C@H]1CN(Cc2nc(-c3ccc(C)cc3)no2)CC[C@@H]1[NH3+] ZINC000317121960 426956096 /nfs/dbraw/zinc/95/60/96/426956096.db2.gz HKFGKQGEIWLWGM-ZFWWWQNUSA-N 2 0 300.406 2.604 20 0 DFADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@H](c2cccc(F)c2)N(C)C)[C@H](C)C1 ZINC000247967175 426971494 /nfs/dbraw/zinc/97/14/94/426971494.db2.gz IGRSHESXTVRDGE-FHLIZLRMSA-N 2 0 307.457 2.748 20 0 DFADRP C[NH+](CC(O)C[N@@H+](C)C(C1CC1)C1CC1)C(C1CC1)C1CC1 ZINC000181792319 426983555 /nfs/dbraw/zinc/98/35/55/426983555.db2.gz IXRUTQMLAKLABT-UHFFFAOYSA-N 2 0 306.494 2.588 20 0 DFADRP C[C@H](C(=O)Nc1ccccc1CC[NH+](C)C)[NH+]1[C@H](C)CC[C@H]1C ZINC000275844499 426930003 /nfs/dbraw/zinc/93/00/03/426930003.db2.gz KBACNBULUWMOJQ-BZUAXINKSA-N 2 0 317.477 2.991 20 0 DFADRP C[C@H](NC(=O)CC1CC[NH+](C)CC1)[C@H](c1ccccc1)[NH+](C)C ZINC000291623102 426932627 /nfs/dbraw/zinc/93/26/27/426932627.db2.gz HBFCNFCVKXARMC-HNAYVOBHSA-N 2 0 317.477 2.526 20 0 DFADRP Cc1ccc(-c2noc(C[N@@H+]3CCC[C@H](CC[NH3+])C3)n2)cc1 ZINC000315506934 426937962 /nfs/dbraw/zinc/93/79/62/426937962.db2.gz YXKFOYNOSVBGKE-CQSZACIVSA-N 2 0 300.406 2.606 20 0 DFADRP CCC[C@H](C(=O)NC[C@H](c1ccc(CC)cc1)[NH+](C)C)[NH+](C)C ZINC000337953388 427056545 /nfs/dbraw/zinc/05/65/45/427056545.db2.gz YTFGUOFMDAHUMP-QZTJIDSGSA-N 2 0 319.493 2.698 20 0 DFADRP Cc1nccn1C[C@@H]1CCC[N@@H+]1CC1CCC2(CC1)OCCO2 ZINC000190266753 427058143 /nfs/dbraw/zinc/05/81/43/427058143.db2.gz KULKRIUDHVOBSM-KRWDZBQOSA-N 2 0 319.449 2.589 20 0 DFADRP CCN(CC)C(=O)C[C@H](C)[NH2+][C@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000248402544 426996217 /nfs/dbraw/zinc/99/62/17/426996217.db2.gz NHPLMEHOGVAICF-BBWFWOEESA-N 2 0 323.525 2.876 20 0 DFADRP C[C@@H]1CC[NH+](CC2(C[N@H+]3CC[C@H](C)[C@H](C)C3)COC2)C[C@H]1C ZINC000248420090 426999416 /nfs/dbraw/zinc/99/94/16/426999416.db2.gz LMOSDEHIBGPUCS-XMTFNYHQSA-N 2 0 308.510 2.959 20 0 DFADRP CC(C)[NH+]1CCC(O)(C[NH2+]Cc2cccc(Cl)c2F)CC1 ZINC000268400486 427009113 /nfs/dbraw/zinc/00/91/13/427009113.db2.gz BVBAZNLGOFUFED-UHFFFAOYSA-N 2 0 314.832 2.804 20 0 DFADRP C[C@H](CNC(=O)CC1(C[NH3+])CCCCC1)[N@@H+]1CCC[C@@H](C)C1 ZINC000248634221 427024983 /nfs/dbraw/zinc/02/49/83/427024983.db2.gz JKLHUIVAYKHNLO-HZPDHXFCSA-N 2 0 309.498 2.522 20 0 DFADRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+][C@H](C)[C@@H]1C[C@H]1c1ccccc1 ZINC000283506313 427026573 /nfs/dbraw/zinc/02/65/73/427026573.db2.gz ZDYXUIQTVIIMCP-JYBIWHBTSA-N 2 0 315.505 2.794 20 0 DFADRP Cc1cc(F)ccc1C[N@H+]1CCCC[C@@H](N2CCN(C)CC2)C1 ZINC000182210673 427028221 /nfs/dbraw/zinc/02/82/21/427028221.db2.gz UDBFQMYLWMBVPZ-LJQANCHMSA-N 2 0 319.468 2.736 20 0 DFADRP C[C@@H]([NH2+]C1(CNC(=O)C2([NH3+])CCC2)CCCC1)c1ccccc1 ZINC000295985398 427034283 /nfs/dbraw/zinc/03/42/83/427034283.db2.gz JVNQQRGWOHDBNE-OAHLLOKOSA-N 2 0 315.461 2.648 20 0 DFADRP OC[C@H]1CCC[N@@H+]1Cc1ccccc1C[NH2+]C(C1CC1)C1CC1 ZINC000182246022 427038215 /nfs/dbraw/zinc/03/82/15/427038215.db2.gz WEASBDXMLQFBPW-LJQANCHMSA-N 2 0 314.473 2.922 20 0 DFADRP CC[NH+](CC)CCN(Cc1cccs1)C(=O)/C=C/C[NH+](C)C ZINC000268556379 427050552 /nfs/dbraw/zinc/05/05/52/427050552.db2.gz VITYVFNYVRMAPV-JXMROGBWSA-N 2 0 323.506 2.536 20 0 DFADRP CCC[C@H](C(=O)NCC(C)(C)[NH+]1C[C@@H](C)C[C@H](C)C1)[NH+](C)C ZINC000337948138 427054521 /nfs/dbraw/zinc/05/45/21/427054521.db2.gz KVUJEGXKRSHIJL-HRCADAONSA-N 2 0 311.514 2.589 20 0 DFADRP CC[NH+](CC)[C@H](C(=O)N[C@@H](C)CCCC[NH3+])c1ccccc1 ZINC000292030558 427064382 /nfs/dbraw/zinc/06/43/82/427064382.db2.gz GSBXFPJPSWDJPV-RDJZCZTQSA-N 2 0 305.466 2.703 20 0 DFADRP CCC[NH2+][C@@H](C)C(=O)Nc1ccccc1NC1CC[NH+](C)CC1 ZINC000296093218 427072983 /nfs/dbraw/zinc/07/29/83/427072983.db2.gz RHWMCITXQIWXEB-AWEZNQCLSA-N 2 0 318.465 2.519 20 0 DFADRP O[C@@H]1CCC[C@@H]1[NH+]1CCC([NH2+][C@H]2CCC[C@@H]2CCCF)CC1 ZINC000337986907 427076182 /nfs/dbraw/zinc/07/61/82/427076182.db2.gz CTKILOLUNAOOAP-LAVFITLUSA-N 2 0 312.473 2.872 20 0 DFADRP C[C@H](CNC(=O)C[C@@H]1CCCC[C@H]1[NH3+])[N@H+](C)Cc1ccccc1 ZINC000296108947 427078031 /nfs/dbraw/zinc/07/80/31/427078031.db2.gz SGCAPMGFBOHWGA-BPQIPLTHSA-N 2 0 317.477 2.531 20 0 DFADRP C[C@@H](C(=O)Nc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1)[C@H](C)[NH3+] ZINC000249107569 427088871 /nfs/dbraw/zinc/08/88/71/427088871.db2.gz VPJFXNZMYINOOU-KFWWJZLASA-N 2 0 303.450 2.840 20 0 DFADRP C[C@H]1C[C@@H](NCC(C)(C)[NH+](C)C)CC[N@@H+]1Cc1ccccc1 ZINC000268701105 427092537 /nfs/dbraw/zinc/09/25/37/427092537.db2.gz FPSVIKRINAQEDY-WMZOPIPTSA-N 3 0 303.494 2.969 20 0 DFADRP C[C@@H]1C[C@H]([NH2+]C[C@]2(O)CCC[C@@H](C(F)(F)F)C2)CC[N@@H+]1C ZINC000249185141 427095171 /nfs/dbraw/zinc/09/51/71/427095171.db2.gz KDMHZRUCDWJARW-SYQHCUMBSA-N 2 0 308.388 2.542 20 0 DFADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@]2(O)CCC[C@H](C(F)(F)F)C2)[C@@H](C)C1 ZINC000249173287 427095627 /nfs/dbraw/zinc/09/56/27/427095627.db2.gz CUHUBMIIIGKSTI-AJNGGQMLSA-N 2 0 322.415 2.790 20 0 DFADRP CCO[C@@H](CC[NH+](C)C)C[NH2+][C@H]1CCCc2ccc(O)cc21 ZINC000283916465 427099026 /nfs/dbraw/zinc/09/90/26/427099026.db2.gz DODSDIPLUAQZNJ-WMZOPIPTSA-N 2 0 306.450 2.716 20 0 DFADRP CCc1ccc([C@@H](CNC(=O)CC[C@H]2CCC[NH2+]2)[NH+](C)C)cc1 ZINC000292127447 427101603 /nfs/dbraw/zinc/10/16/03/427101603.db2.gz RCZDAVCWFWBAPS-QZTJIDSGSA-N 2 0 317.477 2.500 20 0 DFADRP CC[N@@H+]1CC[C@H](N[C@H]2CC[NH+](Cc3ccccc3)C2)[C@@H](C)C1 ZINC000268719829 427104326 /nfs/dbraw/zinc/10/43/26/427104326.db2.gz NYKITJOEFAYQHA-WDSOQIARSA-N 2 0 301.478 2.581 20 0 DFADRP CC(C)[N@H+](C)CCC[NH2+][C@H](C)c1cccc(N2CCOCC2)c1 ZINC000268764491 427107999 /nfs/dbraw/zinc/10/79/99/427107999.db2.gz NGQBDYHGUSVJNH-QGZVFWFLSA-N 2 0 319.493 2.904 20 0 DFADRP CC[NH+](CC)CCOc1ccccc1C[NH2+][C@@H](C)[C@H](C)OC ZINC000268789659 427114531 /nfs/dbraw/zinc/11/45/31/427114531.db2.gz UIALZYJAXCYZGP-HOTGVXAUSA-N 2 0 308.466 2.920 20 0 DFADRP C[NH+]1CCN(c2cc(C[NH2+][C@H]3CCC(C)(C)C3)ccn2)CC1 ZINC000296234165 427120910 /nfs/dbraw/zinc/12/09/10/427120910.db2.gz CIEIFFIWPUSJSC-INIZCTEOSA-N 2 0 302.466 2.502 20 0 DFADRP CC[NH+](CC)[C@@H](CNC(=O)CC[C@H]1CCC[NH2+]1)c1ccsc1 ZINC000292186215 427124112 /nfs/dbraw/zinc/12/41/12/427124112.db2.gz XDCITQQLLJWIDH-CVEARBPZSA-N 2 0 323.506 2.779 20 0 DFADRP C[N@@H+]1CC[C@]2(CCN(CC(=O)Nc3cccc4ccccc43)C2)C1 ZINC000292208548 427131005 /nfs/dbraw/zinc/13/10/05/427131005.db2.gz SYXUXLLYNFPNLF-FQEVSTJZSA-N 2 0 323.440 2.806 20 0 DFADRP C[NH+]1CCC(O)(C[NH2+][C@@H]2CCC[C@@H]2c2ccc(F)cc2)CC1 ZINC000268969076 427142831 /nfs/dbraw/zinc/14/28/31/427142831.db2.gz HVCNEEMRZKBMDN-IAGOWNOFSA-N 2 0 306.425 2.508 20 0 DFADRP C[C@H](c1ccc([S@](C)=O)cc1)[N@H+](C)CCCn1ccnc1 ZINC000182812458 427150960 /nfs/dbraw/zinc/15/09/60/427150960.db2.gz FSSIMIGJXHNJRY-SZNDQCEHSA-N 2 0 305.447 2.704 20 0 DFADRP C[C@H]([NH2+][C@@H]1CCC[C@H]1CCO)c1ccc(OCC[NH+](C)C)cc1 ZINC000249881471 427150995 /nfs/dbraw/zinc/15/09/95/427150995.db2.gz HTACPYMTRKDKFY-VDZJLULYSA-N 2 0 320.477 2.829 20 0 DFADRP CC(C)[C@@H]([NH3+])C(=O)NCc1ccccc1C[N@@H+]1CCCC[C@H]1C ZINC000269237013 427152324 /nfs/dbraw/zinc/15/23/24/427152324.db2.gz NKZGIWHXJWDMQS-CRAIPNDOSA-N 2 0 317.477 2.661 20 0 DFADRP CCC[N@H+](CC)Cc1ccc(C(=O)NC[C@@H]([NH3+])C(C)C)cc1 ZINC000269276855 427156974 /nfs/dbraw/zinc/15/69/74/427156974.db2.gz OYIDVKWSWGSJEJ-QGZVFWFLSA-N 2 0 305.466 2.632 20 0 DFADRP CC[N@H+](Cc1ccc(C(=O)N[C@H]2CCC[C@@H]2C[NH3+])cc1)C1CC1 ZINC000157953400 271072140 /nfs/dbraw/zinc/07/21/40/271072140.db2.gz LJMJGPWXVYJTMX-AEFFLSMTSA-N 2 0 315.461 2.528 20 0 DFADRP C[C@H]1CCC[C@@H](CC[NH+]2CCC(C(=O)NCC[NH+](C)C)CC2)C1 ZINC000177050764 271173060 /nfs/dbraw/zinc/17/30/60/271173060.db2.gz RJEQSJUTUBAJIS-IRXDYDNUSA-N 2 0 323.525 2.593 20 0 DFADRP CC[NH+](CC)Cc1ccc(C(=O)N[C@H]2CC[N@H+](C)[C@H](C)C2)cc1 ZINC000338170971 427169369 /nfs/dbraw/zinc/16/93/69/427169369.db2.gz BKRJRGXPWBVTSX-QAPCUYQASA-N 2 0 317.477 2.741 20 0 DFADRP [NH3+]CCCCCCC(=O)N[C@@H](C[NH+]1CCCC1)c1ccccc1 ZINC000237993549 271254789 /nfs/dbraw/zinc/25/47/89/271254789.db2.gz JUPARBWHIXFFJK-SFHVURJKSA-N 2 0 317.477 2.849 20 0 DFADRP C[N@H+](CCO)C1CC[NH+](CCCSCc2ccccc2)CC1 ZINC000270570713 271310927 /nfs/dbraw/zinc/31/09/27/271310927.db2.gz NJRXHBIERLOJQE-UHFFFAOYSA-N 2 0 322.518 2.698 20 0 DFADRP CC[C@@](NCCCn1ccnc1C)(C(=O)OC)c1ccccc1 ZINC000270583112 271313323 /nfs/dbraw/zinc/31/33/23/271313323.db2.gz CZNVRPCVVXVUMI-SFHVURJKSA-N 2 0 315.417 2.650 20 0 DFADRP C[NH+](C)CCOc1ccccc1C[NH2+][C@H]1CCOC2(CCC2)C1 ZINC000296397947 427169992 /nfs/dbraw/zinc/16/99/92/427169992.db2.gz LJKKIHBSTZEIJJ-KRWDZBQOSA-N 2 0 318.461 2.818 20 0 DFADRP CC(C)c1nc([C@H]2CCC[N@H+](CC[C@@H]3CCC[NH2+]C3)C2)no1 ZINC000333639030 271382049 /nfs/dbraw/zinc/38/20/49/271382049.db2.gz HVWBWCNWFZXPLD-GJZGRUSLSA-N 2 0 306.454 2.762 20 0 DFADRP CC(C)c1nc([C@H]2CCC[N@H+](CC[C@H]3CCC[NH2+]C3)C2)no1 ZINC000333639028 271382210 /nfs/dbraw/zinc/38/22/10/271382210.db2.gz HVWBWCNWFZXPLD-CABCVRRESA-N 2 0 306.454 2.762 20 0 DFADRP C([NH2+][C@H]1CCCCC12CCCC2)c1nnc(C2CC[NH2+]CC2)[nH]1 ZINC000333643933 271383270 /nfs/dbraw/zinc/38/32/70/271383270.db2.gz XSOOMRZUBZJWDB-HNNXBMFYSA-N 2 0 317.481 2.864 20 0 DFADRP C[C@H]([NH2+]CCC(C)(C)CO)c1cccc(OCC[NH+](C)C)c1 ZINC000296415904 427174775 /nfs/dbraw/zinc/17/47/75/427174775.db2.gz LEAZZVBEADVUGI-HNNXBMFYSA-N 2 0 308.466 2.686 20 0 DFADRP COC[C@H]([NH2+]Cc1ccc(OC2CC[NH+](C)CC2)cc1)C(C)C ZINC000284311320 427176467 /nfs/dbraw/zinc/17/64/67/427176467.db2.gz JMFSHWVQQWBKFT-IBGZPJMESA-N 2 0 320.477 2.920 20 0 DFADRP Cc1ccccc1C[C@H]([NH2+]CCCN1CC[NH+](C)CC1)C1CC1 ZINC000284315032 427181227 /nfs/dbraw/zinc/18/12/27/427181227.db2.gz LNSPSBVIQRDRKE-FQEVSTJZSA-N 2 0 315.505 2.543 20 0 DFADRP C[C@@H]1C[C@@H](CC[NH2+]Cc2cnn(C)c2)C[N@@H+]1Cc1ccccc1 ZINC000338201055 427188718 /nfs/dbraw/zinc/18/87/18/427188718.db2.gz YFASCWTWAFDBIR-SJLPKXTDSA-N 2 0 312.461 2.810 20 0 DFADRP CCN(CCC[NH+](C)C)C(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000190890990 427195164 /nfs/dbraw/zinc/19/51/64/427195164.db2.gz CVQPJUFCIOYNIX-UHFFFAOYSA-N 2 0 306.454 2.554 20 0 DFADRP Cc1nnc(CN[C@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)[nH]1 ZINC000292767129 427197977 /nfs/dbraw/zinc/19/79/77/427197977.db2.gz IOXMERVKJWWWRP-INIZCTEOSA-N 2 0 313.449 2.503 20 0 DFADRP C[NH+]1CCC(C[NH2+][C@H](Cc2ccccn2)c2cccnc2)CC1 ZINC000338218607 427198339 /nfs/dbraw/zinc/19/83/39/427198339.db2.gz PVMVOXNDSLGGRV-LJQANCHMSA-N 2 0 310.445 2.692 20 0 DFADRP CC[N@H+](C)CCN[C@@H]1CCC[C@H]2C[NH+](Cc3ccccc3)C[C@@H]21 ZINC000183132807 427208762 /nfs/dbraw/zinc/20/87/62/427208762.db2.gz OQFRAWLUWKYBLO-SLFFLAALSA-N 2 0 315.505 2.828 20 0 DFADRP C[C@@H]1C[C@@H]([NH2+]CCc2cccc(C(F)(F)F)n2)CN1C1CC1 ZINC000293131637 427220017 /nfs/dbraw/zinc/22/00/17/427220017.db2.gz ZTYGEAAYJFOVPJ-DGCLKSJQSA-N 2 0 313.367 2.858 20 0 DFADRP C[C@H]([NH3+])CCC(=O)NCc1ccc(C[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000277496772 427220911 /nfs/dbraw/zinc/22/09/11/427220911.db2.gz OMRZTFKVJGZVQT-HOTGVXAUSA-N 2 0 317.477 2.805 20 0 DFADRP CCc1oc(C(=O)OC)cc1CN(C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000285426160 427227066 /nfs/dbraw/zinc/22/70/66/427227066.db2.gz GZPZERTYCRLDHV-YIONKMFJSA-N 2 0 320.433 2.686 20 0 DFADRP C[N@H+](CCN1CC[C@@]2(C1)CCC[NH+](C)C2)Cc1ccccc1 ZINC000296709457 427229455 /nfs/dbraw/zinc/22/94/55/427229455.db2.gz LUFNRHRSIMNKDJ-IBGZPJMESA-N 2 0 301.478 2.536 20 0 DFADRP CO[C@H](Cc1ccccc1)C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000296727912 427231002 /nfs/dbraw/zinc/23/10/02/427231002.db2.gz IGEQMCRGTOPPCK-GUDVDZBRSA-N 2 0 302.462 2.660 20 0 DFADRP C[C@H]([NH2+]CCCN1CCC[N@H+](C)CC1)c1cccc(F)c1F ZINC000183259161 427234751 /nfs/dbraw/zinc/23/47/51/427234751.db2.gz ODJMHEGSFXQQQC-AWEZNQCLSA-N 2 0 311.420 2.643 20 0 DFADRP Cn1cncc1[C@@H]1C[C@@H]([NH2+]Cc2cccc(O)c2Cl)CCO1 ZINC000293200344 427243628 /nfs/dbraw/zinc/24/36/28/427243628.db2.gz IQHNXWNHABHSQH-WFASDCNBSA-N 2 0 321.808 2.789 20 0 DFADRP CC(C)[NH+]1CCN(CCC[N@@H+]2CCc3ccsc3C2)CC1 ZINC000337298558 271491047 /nfs/dbraw/zinc/49/10/47/271491047.db2.gz LMJMEPTXTQUJQZ-UHFFFAOYSA-N 2 0 307.507 2.522 20 0 DFADRP CCCc1cc(NC[C@H]2C[N@H+](C)CCN2C)c2ccccc2[nH+]1 ZINC000269719490 427261676 /nfs/dbraw/zinc/26/16/76/427261676.db2.gz BKYPSCIIYVYDRV-INIZCTEOSA-N 2 0 312.461 2.845 20 0 DFADRP C[C@@H]([NH2+]CCCN1CC[NH+](C)CC1)c1csc(Cl)c1 ZINC000191132426 427265335 /nfs/dbraw/zinc/26/53/35/427265335.db2.gz JSGHFHYSLVASED-GFCCVEGCSA-N 2 0 301.887 2.690 20 0 DFADRP CSc1ccc([C@@H](CNC2CC[NH+](C)CC2)[NH+](C)C)cc1 ZINC000293292399 427275326 /nfs/dbraw/zinc/27/53/26/427275326.db2.gz DICHGYWYNUHSBQ-QGZVFWFLSA-N 2 0 307.507 2.695 20 0 DFADRP OC[C@@H]1CN(Cc2ccccc2)CC[C@H]1[NH2+]C[C@@H]1CC=CCC1 ZINC000269804013 427282218 /nfs/dbraw/zinc/28/22/18/427282218.db2.gz KKRZORKODQVVHY-YZGWKJHDSA-N 2 0 314.473 2.815 20 0 DFADRP C[C@@H](Cc1cccc(Cl)c1)[NH2+]C[C@@H](O)C[NH+]1CCC(C)CC1 ZINC000338429137 427315265 /nfs/dbraw/zinc/31/52/65/427315265.db2.gz DHXVMERSEAEWAI-MAUKXSAKSA-N 2 0 324.896 2.953 20 0 DFADRP CC(C)N(C)c1ccc(C[N@H+](C)CC2CC[NH+](C)CC2)cn1 ZINC000191323465 427320612 /nfs/dbraw/zinc/32/06/12/427320612.db2.gz ZPFYACAMXSXMLT-UHFFFAOYSA-N 2 0 304.482 2.700 20 0 DFADRP Cc1ccc(C[NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)c(-c2ccnn2C)c1 ZINC000338444060 427323678 /nfs/dbraw/zinc/32/36/78/427323678.db2.gz LSAWSJRSWIEAAU-WBVHZDCISA-N 2 0 312.461 2.968 20 0 DFADRP c1cn(CCC[N@@H+]2CC[C@]3(CC[NH+](Cc4ccccc4)C3)C2)cn1 ZINC000285747181 427325831 /nfs/dbraw/zinc/32/58/31/427325831.db2.gz YMZQJBCYDZEOIY-FQEVSTJZSA-N 2 0 324.472 2.871 20 0 DFADRP C[C@H]([NH2+]C[C@H](O)C[NH+]1CCCCC1)[C@H]1C[C@H]1c1ccccc1 ZINC000338687904 271575310 /nfs/dbraw/zinc/57/53/10/271575310.db2.gz QPCOVHZSKJNPBB-KANFNMMFSA-N 2 0 302.462 2.615 20 0 DFADRP CC(C)CCC[NH2+]Cc1ccc(C(=O)NCC[NH+](C)C)cc1 ZINC000338447774 427328628 /nfs/dbraw/zinc/32/86/28/427328628.db2.gz RIEVNPRBOIGBHL-UHFFFAOYSA-N 2 0 305.466 2.504 20 0 DFADRP C[C@@H]1C[N@H+](CCC[NH2+]Cc2ccc3ncccc3c2)CCCO1 ZINC000277828924 427332576 /nfs/dbraw/zinc/33/25/76/427332576.db2.gz LKHVASDKENFDPN-MRXNPFEDSA-N 2 0 313.445 2.825 20 0 DFADRP Cc1ccc([C@@H]([NH3+])C(=O)NCCC[N@@H+](C)C2CCCCC2)cc1 ZINC000261810769 427341990 /nfs/dbraw/zinc/34/19/90/427341990.db2.gz GMQXGKHLYRLHDG-GOSISDBHSA-N 2 0 317.477 2.766 20 0 DFADRP COc1ccccc1COC1CC[NH+](C[C@@H]2CCC[NH2+]C2)CC1 ZINC000261914635 427343860 /nfs/dbraw/zinc/34/38/60/427343860.db2.gz JQWXBFKLEKNTED-MRXNPFEDSA-N 2 0 318.461 2.676 20 0 DFADRP COCC(C)(C)C[NH2+][C@H](C)c1cccc(OCC[NH+](C)C)c1 ZINC000293333388 427289899 /nfs/dbraw/zinc/28/98/99/427289899.db2.gz GEPRXQOEWOKGJT-OAHLLOKOSA-N 2 0 308.466 2.950 20 0 DFADRP CC[N@H+](Cc1ccc(C(=O)N2CC[NH2+][C@@H](C)[C@@H]2C)cc1)C(C)C ZINC000262790940 427373513 /nfs/dbraw/zinc/37/35/13/427373513.db2.gz NELMYZKDARICBG-HOTGVXAUSA-N 2 0 317.477 2.739 20 0 DFADRP Cc1csc(C(C)(C)[NH2+]CCCN2CC[NH+](C(C)C)CC2)n1 ZINC000191574693 427382182 /nfs/dbraw/zinc/38/21/82/427382182.db2.gz IROSIVWTVQEDNG-UHFFFAOYSA-N 2 0 324.538 2.692 20 0 DFADRP COC(=O)c1cc(C[NH2+]CCCCC[NH+]2CCCC2)oc1C ZINC000293641177 427390117 /nfs/dbraw/zinc/39/01/17/427390117.db2.gz MDALQRMNYZHYPA-UHFFFAOYSA-N 2 0 308.422 2.730 20 0 DFADRP C[C@@H](CCN1CC[NH+](C)CC1)[NH2+]Cc1ccc2occc2c1 ZINC000285997886 427399263 /nfs/dbraw/zinc/39/92/63/427399263.db2.gz OSDAQIGHIMFYIH-HNNXBMFYSA-N 2 0 301.434 2.548 20 0 DFADRP c1cc(N2CCC([NH2+][C@H]3CCOC4(CCC4)C3)CC2)cc[nH+]1 ZINC000297369437 427403220 /nfs/dbraw/zinc/40/32/20/427403220.db2.gz GKRLWKXPDREDJE-INIZCTEOSA-N 2 0 301.434 2.742 20 0 DFADRP CC[N@H+](CCNC(=O)c1ccc(C[NH+]2CCCC2)cc1)C(C)C ZINC000338536608 427364842 /nfs/dbraw/zinc/36/48/42/427364842.db2.gz OPSTWQKIXKBKCV-UHFFFAOYSA-N 2 0 317.477 2.743 20 0 DFADRP CCCN(CC[NH+](C)C)C(=O)c1ccc(C[NH+]2CCCC2)cc1 ZINC000338534003 427364919 /nfs/dbraw/zinc/36/49/19/427364919.db2.gz CMJPIANKENPTTC-UHFFFAOYSA-N 2 0 317.477 2.696 20 0 DFADRP C[C@@H](CCO)CC[NH2+][C@H](C)c1cccc(OCC[NH+](C)C)c1 ZINC000297225243 427365205 /nfs/dbraw/zinc/36/52/05/427365205.db2.gz HMWHRQCIVOPABJ-HZPDHXFCSA-N 2 0 308.466 2.686 20 0 DFADRP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)[C@H](C)[C@H]([NH3+])c1ccccc1 ZINC000262681459 427368263 /nfs/dbraw/zinc/36/82/63/427368263.db2.gz XMZQTLRIQHYXSU-NXHRZFHOSA-N 2 0 317.477 2.703 20 0 DFADRP O[C@@H]1CC[N@H+](Cc2ccccc2C[NH2+][C@H]2CCC[C@H]2CCF)C1 ZINC000285903141 427368733 /nfs/dbraw/zinc/36/87/33/427368733.db2.gz BKIPTAKWOGOBON-IPELMVKDSA-N 2 0 320.452 2.871 20 0 DFADRP COc1ccc(C[C@H](C)[NH2+]C[C@H]2CCCN2C)c(C)c1OC ZINC000286212495 427454506 /nfs/dbraw/zinc/45/45/06/427454506.db2.gz SBNCZTSIBSLUKM-XJKSGUPXSA-N 2 0 306.450 2.627 20 0 DFADRP Cc1ccnc([C@H](C)[NH2+]CCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000286207833 427454791 /nfs/dbraw/zinc/45/47/91/427454791.db2.gz RXLIYWKRAWNWJN-BBWFWOEESA-N 2 0 305.466 2.930 20 0 DFADRP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1ccc([S@@](C)=O)cc1 ZINC000278797407 427455646 /nfs/dbraw/zinc/45/56/46/427455646.db2.gz QWCGQDYKNCMQRG-NPUDJZIFSA-N 2 0 306.475 2.700 20 0 DFADRP CO[C@@H](C[NH2+][C@@H](C)c1cccc(OCC[NH+](C)C)c1)C1CC1 ZINC000293840133 427455873 /nfs/dbraw/zinc/45/58/73/427455873.db2.gz XRWPMZFZKINHSA-KSSFIOAISA-N 2 0 306.450 2.703 20 0 DFADRP COc1ccc(C[C@@H](C)[NH2+]C[C@@H]2CCCN2C)c(C)c1OC ZINC000286212484 427456259 /nfs/dbraw/zinc/45/62/59/427456259.db2.gz SBNCZTSIBSLUKM-CJNGLKHVSA-N 2 0 306.450 2.627 20 0 DFADRP C[NH+](C)CCc1ccc(NC(=O)[C@@H]2CCCC[C@]2(C)[NH3+])cc1 ZINC000263315499 427462665 /nfs/dbraw/zinc/46/26/65/427462665.db2.gz ZJYGFHOORANICC-WMZOPIPTSA-N 2 0 303.450 2.637 20 0 DFADRP C[C@@H]([NH3+])[C@@H](C)C(=O)NC[C@@H](c1cccs1)[NH+]1CCC(C)CC1 ZINC000192088037 427476901 /nfs/dbraw/zinc/47/69/01/427476901.db2.gz GTKIMNUQJQSVSP-KFWWJZLASA-N 2 0 323.506 2.621 20 0 DFADRP C[C@@H]1CCC[C@H]([NH+]2CCC([NH2+][C@@H]3CCC(=O)NC3(C)C)CC2)C1 ZINC000338774906 427480234 /nfs/dbraw/zinc/48/02/34/427480234.db2.gz LQGZNRBLUHFJLB-HYVNUMGLSA-N 2 0 321.509 2.676 20 0 DFADRP C[NH+](C)Cc1ccsc1C(=O)NCCCCC[NH+]1CCCC1 ZINC000293909488 427484775 /nfs/dbraw/zinc/48/47/75/427484775.db2.gz KYAKWKZVNORPID-UHFFFAOYSA-N 2 0 323.506 2.806 20 0 DFADRP C[C@@H](CNC(=O)CC1(C[NH3+])CCCCC1)[N@@H+]1CCC[C@@H](C)C1 ZINC000184224313 427420277 /nfs/dbraw/zinc/42/02/77/427420277.db2.gz JKLHUIVAYKHNLO-CVEARBPZSA-N 2 0 309.498 2.522 20 0 DFADRP C[N@H+](CCO)C1CCN(Cc2c(Cl)oc3ccccc32)CC1 ZINC000271153896 427421568 /nfs/dbraw/zinc/42/15/68/427421568.db2.gz GTFIPJOTLJEIQU-UHFFFAOYSA-N 2 0 322.836 2.975 20 0 DFADRP CC1CC[NH+](CCCCNC(=O)CC2(C[NH3+])CCCCC2)CC1 ZINC000184224556 427421540 /nfs/dbraw/zinc/42/15/40/427421540.db2.gz DAZAAUQNETVJPF-UHFFFAOYSA-N 2 0 323.525 2.914 20 0 DFADRP Cc1nc2scc(C3CC3)n2c1C[NH2+]CC1=CC[N@H+](C)CC1 ZINC000297681567 427426182 /nfs/dbraw/zinc/42/61/82/427426182.db2.gz PIBPJUZZBXWACI-UHFFFAOYSA-N 2 0 316.474 2.933 20 0 DFADRP CC1CC([NH2+]CCCC[NH+]2CCN(Cc3ccccc3)CC2)C1 ZINC000184285923 427430410 /nfs/dbraw/zinc/43/04/10/427430410.db2.gz XLPBPWZCMISGFF-UHFFFAOYSA-N 2 0 315.505 2.973 20 0 DFADRP Cc1ccc([C@H](CNC(=O)[C@H]2CCCC[C@]2(C)[NH3+])[NH+](C)C)cc1 ZINC000263217898 427440242 /nfs/dbraw/zinc/44/02/42/427440242.db2.gz LGCPIEXLSYZIFV-AOIWGVFYSA-N 2 0 317.477 2.622 20 0 DFADRP C[C@@H]1CC[N@H+](C[C@H](O)c2ccccc2F)C[C@@H]1n1ccnc1 ZINC000271196475 427442591 /nfs/dbraw/zinc/44/25/91/427442591.db2.gz DPJPOIYMZQVVLA-COXVUDFISA-N 2 0 303.381 2.639 20 0 DFADRP C[C@H](C[S@](C)=O)[NH2+]C1CCC([N@H+](C)Cc2ccccc2)CC1 ZINC000286327682 427494744 /nfs/dbraw/zinc/49/47/44/427494744.db2.gz YHBXTONRHIULAN-HQLUKAMCSA-N 2 0 322.518 2.786 20 0 DFADRP C[C@H]1CC(C[NH2+]C2CCN(c3cc[nH+]cc3)CC2)C[C@H](C)O1 ZINC000298029963 427506773 /nfs/dbraw/zinc/50/67/73/427506773.db2.gz FTPPAVCOHCSLRH-GJZGRUSLSA-N 2 0 303.450 2.844 20 0 DFADRP C[C@@H](C(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)[NH+]1CCCCCC1 ZINC000341342988 271808248 /nfs/dbraw/zinc/80/82/48/271808248.db2.gz GSFKGDIGSJVHSP-JKSUJKDBSA-N 2 0 311.514 2.734 20 0 DFADRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@@H]1CCC[C@H]([C@@H]2CCOC2)C1 ZINC000341401001 271822740 /nfs/dbraw/zinc/82/27/40/271822740.db2.gz KPJOZPLTZZVFHP-BSDSXHPESA-N 2 0 312.498 2.528 20 0 DFADRP C[C@H](CO)[NH2+][C@@H]1CCCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000278980519 427521060 /nfs/dbraw/zinc/52/10/60/427521060.db2.gz PJPBJRBHFDTRAX-QXCFHYIPSA-N 2 0 302.462 2.648 20 0 DFADRP CC1(C)C[C@H]([NH2+][C@H]2CCCC[C@@H]2C[NH3+])c2cc(N)ccc2O1 ZINC000332190381 427541012 /nfs/dbraw/zinc/54/10/12/427541012.db2.gz CIWFSRHFFLBLTJ-KCXAZCMYSA-N 2 0 303.450 2.978 20 0 DFADRP CC[N@@H+]1CC[C@H]([NH2+]CCc2ccc(NC(=O)OC)cc2)[C@H](C)C1 ZINC000271458442 427547564 /nfs/dbraw/zinc/54/75/64/427547564.db2.gz HIENDGYYRMKMBG-PBHICJAKSA-N 2 0 319.449 2.727 20 0 DFADRP C[C@H]([NH2+][C@@H]1CCO[C@@H](c2cncn2C)C1)c1cncc(F)c1 ZINC000279065579 427548700 /nfs/dbraw/zinc/54/87/00/427548700.db2.gz ZQJBBQORFXIPGE-SGIREYDYSA-N 2 0 304.369 2.525 20 0 DFADRP Cc1ccc([C@@H](CNC2C[C@H]3CC[C@@H](C2)[N@H+]3C)[NH+]2CCCC2)o1 ZINC000192799063 427612815 /nfs/dbraw/zinc/61/28/15/427612815.db2.gz QNEUBGXYDJZUEN-HQSKLWIPSA-N 2 0 317.477 2.940 20 0 DFADRP C[C@H](COCC(F)(F)F)[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000298295519 427562203 /nfs/dbraw/zinc/56/22/03/427562203.db2.gz HIZYEDSOIHZEJF-GFCCVEGCSA-N 2 0 317.355 2.607 20 0 DFADRP Cc1c[nH+]ccc1N1CCN(CC[N@@H+](C)Cc2ccccc2)CC1 ZINC000192565950 427565831 /nfs/dbraw/zinc/56/58/31/427565831.db2.gz WTSIEWXAOYMEJK-UHFFFAOYSA-N 2 0 324.472 2.644 20 0 DFADRP COC(=O)c1cc(CN(C)C2CC[NH+](C(C)C)CC2)oc1C ZINC000263778462 427567712 /nfs/dbraw/zinc/56/77/12/427567712.db2.gz YBPHCGRPBOSXSD-UHFFFAOYSA-N 2 0 308.422 2.679 20 0 DFADRP C[C@H](O)CCC[NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]12 ZINC000279152026 427576312 /nfs/dbraw/zinc/57/63/12/427576312.db2.gz SUDBMAKMYOLBOF-WZGPROSRSA-N 2 0 302.462 2.648 20 0 DFADRP CCC[C@@H]([NH2+]CCCC[NH+]1CCN(CC)CC1)c1cccnc1 ZINC000185014361 427577357 /nfs/dbraw/zinc/57/73/57/427577357.db2.gz WRNLIEDKJCDJGF-LJQANCHMSA-N 2 0 318.509 2.930 20 0 DFADRP C[NH+](C)CCC1CC[NH+](C[C@H](O)Cc2cccc(Cl)c2)CC1 ZINC000287411336 427601483 /nfs/dbraw/zinc/60/14/83/427601483.db2.gz SHHPNNGAOWAANU-GOSISDBHSA-N 2 0 324.896 2.907 20 0 DFADRP CN(C)CC[NH+]1CCC(C[NH2+]CCc2cccc(Cl)c2)CC1 ZINC000298494892 427630537 /nfs/dbraw/zinc/63/05/37/427630537.db2.gz QEYNAAFKQPPVOR-UHFFFAOYSA-N 2 0 323.912 2.746 20 0 DFADRP CN(C)[C@@H](CNC1CC[NH+](C2CC2)CC1)c1c(F)cccc1F ZINC000298510739 427635124 /nfs/dbraw/zinc/63/51/24/427635124.db2.gz QYSJZDOLHDGFFV-KRWDZBQOSA-N 2 0 323.431 2.784 20 0 DFADRP Fc1cc(CN[C@H]2CC[N@@H+]3CCC[C@H]3C2)ccc1-n1ccnc1 ZINC000339065002 427658037 /nfs/dbraw/zinc/65/80/37/427658037.db2.gz BDDIECKROPYMTG-HOTGVXAUSA-N 2 0 314.408 2.728 20 0 DFADRP Cc1nccn1CC[N@@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000342602691 272029261 /nfs/dbraw/zinc/02/92/61/272029261.db2.gz ARCRPXXGZOSJGZ-SFHVURJKSA-N 2 0 304.482 2.780 20 0 DFADRP CCC1CC([NH2+]Cc2ccc(CN3CC[NH+](C)CC3)cc2)C1 ZINC000342696969 272043000 /nfs/dbraw/zinc/04/30/00/272043000.db2.gz DXSUCEISUDDHOZ-UHFFFAOYSA-N 2 0 301.478 2.712 20 0 DFADRP C[C@H]1CC(C)(C)C[C@@H]1[NH2+]C1CCN(C2CC[NH+](C)CC2)CC1 ZINC000193128137 427668960 /nfs/dbraw/zinc/66/89/60/427668960.db2.gz KMGIPUJUUVDUKY-YJBOKZPZSA-N 2 0 307.526 2.959 20 0 DFADRP C[C@@H]1CC(C)(C)C[C@@H]1[NH2+]Cc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000193122304 427669055 /nfs/dbraw/zinc/66/90/55/427669055.db2.gz IYAPGDAWQQLFKH-WBVHZDCISA-N 2 0 316.493 2.748 20 0 DFADRP CCCN(CC[NH+]1CCCCC1)C(=O)[C@H]1CCC[N@@H+]1CCC ZINC000342787924 272053678 /nfs/dbraw/zinc/05/36/78/272053678.db2.gz OEDXRMQZDCTKKR-QGZVFWFLSA-N 2 0 309.498 2.585 20 0 DFADRP CC[NH+](CC)C[C@@H]1CCN(CC[N@H+](C)Cc2ccccc2)C1 ZINC000295027969 427669429 /nfs/dbraw/zinc/66/94/29/427669429.db2.gz MSXHYZPCKFXPGT-IBGZPJMESA-N 2 0 303.494 2.782 20 0 DFADRP CCCCNC(=O)[C@H]1CC[C@@H](C)[N@H+](CCCn2ccnc2C)C1 ZINC000342862767 272063732 /nfs/dbraw/zinc/06/37/32/272063732.db2.gz CSMSJKIYMNWRMT-WBVHZDCISA-N 2 0 320.481 2.598 20 0 DFADRP C[C@@H](CCc1ccccc1)C[NH+]1CCC([N@H+](C)CCO)CC1 ZINC000342952572 272070924 /nfs/dbraw/zinc/07/09/24/272070924.db2.gz PSDVZOQOCWGIDD-KRWDZBQOSA-N 2 0 304.478 2.644 20 0 DFADRP C[C@@H](C[NH2+][C@H]1CCc2ccc(Cl)cc21)N1CC[NH+](C)CC1 ZINC000343104989 272087439 /nfs/dbraw/zinc/08/74/39/272087439.db2.gz SQKPWNSLSVSTAI-GUYCJALGSA-N 2 0 307.869 2.553 20 0 DFADRP CCN1C[C@@H](C)[C@H]([NH2+]CCCCOCCc2ccccc2)C1 ZINC000343372881 272129590 /nfs/dbraw/zinc/12/95/90/272129590.db2.gz ZJZQQXFWCQJABX-IEBWSBKVSA-N 2 0 304.478 2.956 20 0 DFADRP C[C@H](CCO)CC[NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]12 ZINC000295054596 427673356 /nfs/dbraw/zinc/67/33/56/427673356.db2.gz GBMBAYCBNPAGLZ-MTFMMBMASA-N 2 0 316.489 2.895 20 0 DFADRP CC[C@H](C(=O)N[C@H](C)C[N@H+](C)Cc1ccccc1)[NH+](CC)CC ZINC000343532284 272165556 /nfs/dbraw/zinc/16/55/56/272165556.db2.gz VRWJIHRRXQOWFN-SJLPKXTDSA-N 2 0 319.493 2.744 20 0 DFADRP C[C@H](c1ccccc1)[N@@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000343916098 272236924 /nfs/dbraw/zinc/23/69/24/272236924.db2.gz AKLHSURFHORKCS-LMMKCTJWSA-N 2 0 301.478 2.705 20 0 DFADRP CCC[NH+]1CCN(c2ccccc2C[NH2+]CC[C@@H](C)OC)CC1 ZINC000343984404 272247617 /nfs/dbraw/zinc/24/76/17/272247617.db2.gz ZVUBDEIQTCVICW-QGZVFWFLSA-N 2 0 319.493 2.733 20 0 DFADRP CCC[N@H+](CCN1CC[NH+](CC)CC1)Cc1ccc(F)cc1C ZINC000344147676 272274257 /nfs/dbraw/zinc/27/42/57/272274257.db2.gz QFOFEXLMTOBQIV-UHFFFAOYSA-N 2 0 321.484 2.984 20 0 DFADRP C[C@@H](C[NH2+][C@H]1CCCc2ccc(F)cc21)CN1CC[NH+](C)CC1 ZINC000344172907 272279690 /nfs/dbraw/zinc/27/96/90/272279690.db2.gz PDSJDJGOEOUWDP-KXBFYZLASA-N 2 0 319.468 2.676 20 0 DFADRP CO[C@H](c1ccccc1F)[C@H](C)[NH2+][C@H]1CN(C2CC2)C[C@@H]1C ZINC000344292089 272306557 /nfs/dbraw/zinc/30/65/57/272306557.db2.gz OLSCSZMBFMMENQ-LUVWLHFXSA-N 2 0 306.425 2.974 20 0 DFADRP C[C@H](c1ccccc1)[NH+]1CCC(N[C@@H]2C[N@H+](C)C[C@H]2C)CC1 ZINC000344374053 272323822 /nfs/dbraw/zinc/32/38/22/272323822.db2.gz SXVSXBSKAOWXLJ-GPMSIDNRSA-N 2 0 301.478 2.752 20 0 DFADRP CCN1C[C@H](C)[C@H]([NH2+][C@@H]2CCCN(c3cccc(F)c3)C2)C1 ZINC000344387164 272324931 /nfs/dbraw/zinc/32/49/31/272324931.db2.gz RHDDATANMACVEG-YXJHDRRASA-N 2 0 305.441 2.724 20 0 DFADRP CC[NH+]1CCN(c2ccccc2C[NH2+]C[C@H]2CC2(C)C)CC1 ZINC000344414107 272327832 /nfs/dbraw/zinc/32/78/32/272327832.db2.gz ZQCFUIGSFNHTHG-QGZVFWFLSA-N 2 0 301.478 2.964 20 0 DFADRP CC[N@@H+]1CC[C@H]([NH2+]Cc2cccc(OCCOC)c2)[C@H](C)C1 ZINC000344537254 272335337 /nfs/dbraw/zinc/33/53/37/272335337.db2.gz KAEMYLOFCOCMMU-QAPCUYQASA-N 2 0 306.450 2.532 20 0 DFADRP O[C@@]1(CNCc2ccc(F)cc2)CC[N@H+](Cc2ccccc2)C1 ZINC000344549814 272336235 /nfs/dbraw/zinc/33/62/35/272336235.db2.gz PEVAFMIGXFZIDQ-LJQANCHMSA-N 2 0 314.404 2.552 20 0 DFADRP C[C@H](C(=O)N1CC[N@@H+](C2CCC2)C[C@H](C)C1)[NH+]1CCCCCC1 ZINC000344740257 272364670 /nfs/dbraw/zinc/36/46/70/272364670.db2.gz LCSPAAIDYCLGOZ-DLBZAZTESA-N 2 0 321.509 2.584 20 0 DFADRP CCCOc1cccc(C[NH2+][C@@H](C)CCN2CC[NH+](C)CC2)c1 ZINC000185866431 427721289 /nfs/dbraw/zinc/72/12/89/427721289.db2.gz BXSTTXKNPSQMGF-KRWDZBQOSA-N 2 0 319.493 2.591 20 0 DFADRP CCCN(CC[NH+](C)C)C(=O)[C@@H](c1ccccc1)[NH+](CC)CC ZINC000344822258 272374556 /nfs/dbraw/zinc/37/45/56/272374556.db2.gz GXWAARPKDPNVMS-GOSISDBHSA-N 2 0 319.493 2.870 20 0 DFADRP C[C@H]([NH2+][C@H]1C[C@@H](C)N(C2CC2)C1)c1cccc(-n2ccnn2)c1 ZINC000287781766 427690685 /nfs/dbraw/zinc/69/06/85/427690685.db2.gz SDXVXBKQAZPTEI-YCPHGPKFSA-N 2 0 311.433 2.543 20 0 DFADRP C[N@H+]1C[C@H]2CN(Cc3cc4ccccc4nc3Cl)C[C@H]2C1 ZINC000193636525 427701944 /nfs/dbraw/zinc/70/19/44/427701944.db2.gz VHBTVBVUOXMVTC-GASCZTMLSA-N 2 0 301.821 2.882 20 0 DFADRP CC(C)[C@H]([NH3+])C(=O)Nc1cccc(CC[NH+]2CCC(C)CC2)c1 ZINC000272309640 427704643 /nfs/dbraw/zinc/70/46/43/427704643.db2.gz ADCQSMPZOIYLCL-SFHVURJKSA-N 2 0 317.477 2.883 20 0 DFADRP C[C@H](NC(=O)C[NH+]1CCC(CC[NH+](C)C)CC1)c1ccccc1 ZINC000298833419 427715326 /nfs/dbraw/zinc/71/53/26/427715326.db2.gz AACHAOYLPCPXQF-INIZCTEOSA-N 2 0 317.477 2.528 20 0 DFADRP COC(=O)CCC[C@@H]1CCC[C@@H]([NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)C1 ZINC000339180677 427719979 /nfs/dbraw/zinc/71/99/79/427719979.db2.gz DDTCBMOHXLXLNH-GVDBMIGSSA-N 2 0 322.493 2.962 20 0 DFADRP COc1ccc(F)c(C[NH2+][C@H]2CCO[C@H](c3cncn3C)C2)c1 ZINC000339357113 427759380 /nfs/dbraw/zinc/75/93/80/427759380.db2.gz DXPOALQPHZYQOZ-GUYCJALGSA-N 2 0 319.380 2.578 20 0 DFADRP Cc1nc(C)c(C[NH+]2CCC(CC[NH+]3CCOCC3)CC2)s1 ZINC000336857719 427762499 /nfs/dbraw/zinc/76/24/99/427762499.db2.gz ULUSPUVQKBBPBM-UHFFFAOYSA-N 2 0 323.506 2.694 20 0 DFADRP COCc1ccccc1C[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000336862919 427765428 /nfs/dbraw/zinc/76/54/28/427765428.db2.gz BBZOXZQZPWFQRX-UHFFFAOYSA-N 2 0 311.429 2.987 20 0 DFADRP c1ccc(CCCO[C@H]2CC[N@H+](C[C@H]3CCC[NH2+]C3)C2)cc1 ZINC000339427849 427772304 /nfs/dbraw/zinc/77/23/04/427772304.db2.gz DZNIPFUCSRVSBP-OALUTQOASA-N 2 0 302.462 2.710 20 0 DFADRP COC(=O)c1oc([C@H](C)N2CC[C@]3(C2)CCC[N@H+](C)C3)cc1C ZINC000339433054 427773877 /nfs/dbraw/zinc/77/38/77/427773877.db2.gz IYDWVELPQLQBJO-KBXCAEBGSA-N 2 0 320.433 2.853 20 0 DFADRP CC[C@H](C(=O)NC[C@H](C)[NH+](CC)CC)[N@H+](C)Cc1ccccc1 ZINC000339439043 427775930 /nfs/dbraw/zinc/77/59/30/427775930.db2.gz RFIVRVZKAAWZDZ-FUHWJXTLSA-N 2 0 319.493 2.744 20 0 DFADRP c1csc(N2CCC([NH2+]CCCCC[NH+]3CCCC3)CC2)n1 ZINC000339500673 427783811 /nfs/dbraw/zinc/78/38/11/427783811.db2.gz SBVZTMHJRWBUTR-UHFFFAOYSA-N 2 0 322.522 2.968 20 0 DFADRP Cc1cc(C)c(C[NH2+][C@H](C)CCN2CC[NH+](C)CC2)cc1C ZINC000185881720 427724307 /nfs/dbraw/zinc/72/43/07/427724307.db2.gz OYIZWOCCXVCOAF-GOSISDBHSA-N 2 0 303.494 2.727 20 0 DFADRP CSc1ccc(C[NH2+][C@@H](C)CCN2CC[NH+](C)CC2)cc1 ZINC000185880649 427725071 /nfs/dbraw/zinc/72/50/71/427725071.db2.gz MZGHHVZXYLIFJW-HNNXBMFYSA-N 2 0 307.507 2.524 20 0 DFADRP COC(=O)CCC[C@@H]1CCC[C@H]([NH2+]CC2CC[NH+](C)CC2)C1 ZINC000339240344 427739390 /nfs/dbraw/zinc/73/93/90/427739390.db2.gz SCYUVIMKURPVIK-RDJZCZTQSA-N 2 0 310.482 2.820 20 0 DFADRP c1ccc(C[NH+]2CC[C@H]3C[N@@H+](CC4CCOCC4)C[C@@H]3C2)cc1 ZINC000336696224 427749032 /nfs/dbraw/zinc/74/90/32/427749032.db2.gz ARVVFCCILZWWEH-PMACEKPBSA-N 2 0 314.473 2.867 20 0 DFADRP [NH3+][C@H](CC(F)F)C(=O)Nc1cccc(C[NH+]2CCCCC2)c1 ZINC000345759566 272535014 /nfs/dbraw/zinc/53/50/14/272535014.db2.gz GPJBWBHLOZHHIX-CQSZACIVSA-N 2 0 311.376 2.594 20 0 DFADRP CC[NH+]1CCN([C@@H]2CCN(c3cc[nH+]c4c(C)cccc34)C2)CC1 ZINC000301652222 427812925 /nfs/dbraw/zinc/81/29/25/427812925.db2.gz GOKBMNUDAVNWSG-QGZVFWFLSA-N 2 0 324.472 2.759 20 0 DFADRP C[C@@H](C(=O)N1[C@H](C)CCC[C@@H]1C)N(C)CCC[NH+]1CCCC1 ZINC000337279869 427830405 /nfs/dbraw/zinc/83/04/05/427830405.db2.gz UTHKLBAMEKAJBO-BBWFWOEESA-N 2 0 309.498 2.582 20 0 DFADRP C[C@@H]([NH2+]Cc1ccc(OCC[NH+]2CCCC2)cc1)c1cn[nH]c1 ZINC000339795828 427830586 /nfs/dbraw/zinc/83/05/86/427830586.db2.gz RYMFSECFRZJBOV-OAHLLOKOSA-N 2 0 314.433 2.735 20 0 DFADRP COc1ccc([C@H](C)[NH2+]CCCN2CC[NH+](C(C)C)CC2)cc1 ZINC000337312984 427838814 /nfs/dbraw/zinc/83/88/14/427838814.db2.gz GEANXUKVDDGIKU-KRWDZBQOSA-N 2 0 319.493 2.762 20 0 DFADRP CC[NH+](CC)CCOCC[NH2+][C@@H](C)c1cc(F)ccc1F ZINC000349722289 427850270 /nfs/dbraw/zinc/85/02/70/427850270.db2.gz NVIVHCIZPYEYNU-ZDUSSCGKSA-N 2 0 300.393 2.974 20 0 DFADRP CC[C@@H](Cn1cncn1)[NH2+]Cc1ccc(C[NH+](CC)CC)cc1 ZINC000340467453 427854888 /nfs/dbraw/zinc/85/48/88/427854888.db2.gz PHCXDPCSIXCVDU-SFHVURJKSA-N 2 0 315.465 2.688 20 0 DFADRP C[C@H]1CN(C2CC2)C[C@@H]1[NH2+]Cc1ccc(OC(F)F)c(F)c1 ZINC000340504510 427866183 /nfs/dbraw/zinc/86/61/83/427866183.db2.gz KQZIMHPXZKVOHQ-HZMBPMFUSA-N 2 0 314.351 2.999 20 0 DFADRP CC[C@@H](C)[NH2+][C@@H](CNC(=O)C[NH+]1CCC(C)CC1)c1ccco1 ZINC000359549377 427905082 /nfs/dbraw/zinc/90/50/82/427905082.db2.gz VTMODBJTZYQVGA-CVEARBPZSA-N 2 0 321.465 2.557 20 0 DFADRP C[C@H](O)C[N@H+](C)C1CC[NH+](C[C@@H]2CCc3ccccc3C2)CC1 ZINC000359587543 427923638 /nfs/dbraw/zinc/92/36/38/427923638.db2.gz FCILMUGATARLKM-DLBZAZTESA-N 2 0 316.489 2.569 20 0 DFADRP C[C@@H](CCCC(F)(F)F)[NH2+]CCCN1CCC[N@H+](C)CC1 ZINC000359659230 427959882 /nfs/dbraw/zinc/95/98/82/427959882.db2.gz GOEBMCRDBSZKGZ-AWEZNQCLSA-N 2 0 309.420 2.725 20 0 DFADRP CN(C)C(=O)CCN1CCC([NH2+][C@H]2CCCC23CCCC3)CC1 ZINC000340235032 427960138 /nfs/dbraw/zinc/96/01/38/427960138.db2.gz GXBSSUIDAAGKIF-KRWDZBQOSA-N 2 0 321.509 2.632 20 0 DFADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+][C@@H](C)CCCC(F)(F)F)CC1 ZINC000359659771 427960227 /nfs/dbraw/zinc/96/02/27/427960227.db2.gz AQIORGSSABAHOW-GJZGRUSLSA-N 2 0 323.447 2.971 20 0 DFADRP Cc1nc(CN(C)[C@@H]2CCCN(c3cccc(C)n3)CC2)no1 ZINC000359663741 427963446 /nfs/dbraw/zinc/96/34/46/427963446.db2.gz NECLFKNSGKPJGI-OAHLLOKOSA-N 2 0 315.421 2.572 20 0 DFADRP C[C@@H]1CN(CC(C)(C)C[N@H+](C)Cc2ccccc2)C[C@@H](C)[NH2+]1 ZINC000347007612 272711090 /nfs/dbraw/zinc/71/10/90/272711090.db2.gz RAUUPIQMHRKKNL-IAGOWNOFSA-N 2 0 303.494 2.827 20 0 DFADRP C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)c1ccc(C[NH+](C)C)cc1 ZINC000341034949 427974420 /nfs/dbraw/zinc/97/44/20/427974420.db2.gz HPBICYZXQWEQMS-IYBDPMFKSA-N 2 0 317.477 2.741 20 0 DFADRP COC1(C[NH2+]C2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)CCCCC1 ZINC000359700168 427979256 /nfs/dbraw/zinc/97/92/56/427979256.db2.gz MJVNCSVRGPGDGY-QZTJIDSGSA-N 2 0 324.509 2.693 20 0 DFADRP CC(C)[C@H](C(=O)NCC[NH+]1[C@H](C)CCC[C@H]1C)[NH+]1CCCCC1 ZINC000341047748 427979956 /nfs/dbraw/zinc/97/99/56/427979956.db2.gz BSQAQDFDUVNETL-KZNAEPCWSA-N 2 0 323.525 2.876 20 0 DFADRP COCC[N@H+](C)CCC[NH2+][C@@H]1CCC[C@@H](c2cccnc2)C1 ZINC000376738195 427991187 /nfs/dbraw/zinc/99/11/87/427991187.db2.gz SEYAKTYCUXYNTJ-SJLPKXTDSA-N 2 0 305.466 2.666 20 0 DFADRP C[C@@H]1C[N@@H+](CCCC[NH2+]Cc2ccccc2N(C)C)C[C@H](C)O1 ZINC000340175808 427944472 /nfs/dbraw/zinc/94/44/72/427944472.db2.gz QADANHWUCAXMEC-CALCHBBNSA-N 2 0 319.493 2.732 20 0 DFADRP CCO[C@@H]1C[C@H]([NH2+]CCCC[NH+](C)C)[C@@H]1Oc1ccccc1 ZINC000359645423 427952827 /nfs/dbraw/zinc/95/28/27/427952827.db2.gz XDWBFNFMWUWMME-KSZLIROESA-N 2 0 306.450 2.543 20 0 DFADRP C[C@H]([NH2+]CCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccncc1F ZINC000340207861 427953387 /nfs/dbraw/zinc/95/33/87/427953387.db2.gz YODADNWTHZCKSE-ZNMIVQPWSA-N 2 0 309.429 2.761 20 0 DFADRP CC[C@@H](C(=O)NC[C@@H](c1ccccc1)[NH+](C)C)[NH+](CC)CC ZINC000345925565 427954068 /nfs/dbraw/zinc/95/40/68/427954068.db2.gz DCUSRHKZIQFCSO-IRXDYDNUSA-N 2 0 305.466 2.526 20 0 DFADRP CCC[N@H+](CC)C[C@H](C)NC(=O)[C@@H]1CCC[NH+]1C1CCCC1 ZINC000359806281 428024302 /nfs/dbraw/zinc/02/43/02/428024302.db2.gz LWIKWUCXEIXFHC-RDJZCZTQSA-N 2 0 309.498 2.630 20 0 DFADRP CC(C)[C@@H]1C[C@H]([NH2+]CCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CCO1 ZINC000346127540 428027918 /nfs/dbraw/zinc/02/79/18/428027918.db2.gz IFXQXEAYEJORHU-XDNAFOTISA-N 2 0 312.498 2.669 20 0 DFADRP CCCC[N@H+](C)CC1CCN(C(=O)C[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC000346132518 428030422 /nfs/dbraw/zinc/03/04/22/428030422.db2.gz BXNSPULQCFKTBP-IAGOWNOFSA-N 2 0 323.525 2.830 20 0 DFADRP C[NH+]1CCC(C(=O)NCC2([NH+]3CCCCC3)CCCCC2)CC1 ZINC000369688570 428036850 /nfs/dbraw/zinc/03/68/50/428036850.db2.gz AEWWZLIYNGWQRN-UHFFFAOYSA-N 2 0 321.509 2.633 20 0 DFADRP C[NH+](C)CC1CC[NH+](CC2CCN(C(=O)C(C)(C)C)CC2)CC1 ZINC000359837036 428039137 /nfs/dbraw/zinc/03/91/37/428039137.db2.gz ZJWAQENYJIBDKK-UHFFFAOYSA-N 2 0 323.525 2.545 20 0 DFADRP CO[C@@H](C)C[N@H+](Cc1cn(-c2cc[nH+]cc2)nc1C)C(C)C ZINC000346195300 428062511 /nfs/dbraw/zinc/06/25/11/428062511.db2.gz HWVQGIOITKQMHD-AWEZNQCLSA-N 2 0 302.422 2.821 20 0 DFADRP CCC(C)(C)[NH2+][C@@H](C)C(=O)N1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000356171402 428053533 /nfs/dbraw/zinc/05/35/33/428053533.db2.gz RLMCONIOLBINAD-JKSUJKDBSA-N 2 0 309.498 2.630 20 0 DFADRP CC[N@@H+]1CC[C@H](N(C)C(=O)[C@H](C)[NH+]2[C@H](C)CC[C@@H]2C)C[C@@H]1C ZINC000413498451 428062782 /nfs/dbraw/zinc/06/27/82/428062782.db2.gz MQSHEVLJXJAPET-QEOTZNIISA-N 2 0 309.498 2.579 20 0 DFADRP C[C@@H]1C[N@H+](CCCCC(F)(F)F)CCN1C1CC[NH+](C)CC1 ZINC000369908301 428087527 /nfs/dbraw/zinc/08/75/27/428087527.db2.gz LFCAIERTUJCFEM-CQSZACIVSA-N 2 0 321.431 2.819 20 0 DFADRP CSC1(C[NH2+]Cc2nc3c(s2)CN(C(C)C)CC3)CC1 ZINC000377321892 428107044 /nfs/dbraw/zinc/10/70/44/428107044.db2.gz MEABDHBRAOFXNL-UHFFFAOYSA-N 2 0 311.520 2.895 20 0 DFADRP [NH3+][C@@H]1CCC[C@@H](C(=O)Nc2cccc(CC[NH+]3CCCC3)c2)C1 ZINC000346280713 428107375 /nfs/dbraw/zinc/10/73/75/428107375.db2.gz JZDFKJWEJRWZFJ-IAGOWNOFSA-N 2 0 315.461 2.781 20 0 DFADRP Cc1cnc(CN2C[C@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)o1 ZINC000377337835 428107897 /nfs/dbraw/zinc/10/78/97/428107897.db2.gz QLTUFSBPLDFDCV-QZTJIDSGSA-N 2 0 311.429 2.937 20 0 DFADRP C[C@H]([NH3+])[C@@H]1CC[N@H+](Cc2ccc(OCC(F)(F)F)cc2)C1 ZINC000351853929 428112040 /nfs/dbraw/zinc/11/20/40/428112040.db2.gz PRKPBSFVDZVJOD-WCQYABFASA-N 2 0 302.340 2.797 20 0 DFADRP CC1=C[C@H](C)C[C@H](C[N@H+](C)CCN(C)C2CC[NH+](C)CC2)C1 ZINC000356321554 428124407 /nfs/dbraw/zinc/12/44/07/428124407.db2.gz QJASRKWRORFTIO-WMZOPIPTSA-N 2 0 307.526 2.937 20 0 DFADRP C[C@@H]([NH3+])c1ccc(NC(=O)c2cccn2C2CC[NH2+]CC2)cc1 ZINC000377130376 428066166 /nfs/dbraw/zinc/06/61/66/428066166.db2.gz SATWKOVFYNKLSN-CYBMUJFWSA-N 2 0 312.417 2.685 20 0 DFADRP CSC1(C[NH2+]Cc2cc(C)c(O)c(C)c2)CC[NH+](C)CC1 ZINC000356363187 428142771 /nfs/dbraw/zinc/14/27/71/428142771.db2.gz KXWWJUBRNVNUGH-UHFFFAOYSA-N 2 0 308.491 2.926 20 0 DFADRP Fc1ccc(-n2nccc2CN2CCC[C@]3(CC[NH2+]C3)C2)cc1 ZINC000352546696 428143738 /nfs/dbraw/zinc/14/37/38/428143738.db2.gz ZENAADSOSGIQHB-GOSISDBHSA-N 2 0 314.408 2.587 20 0 DFADRP CCC[NH+](CCC)CCCC(=O)N(C)C[C@@H]1CCC[N@H+](C)C1 ZINC000360077138 428149065 /nfs/dbraw/zinc/14/90/65/428149065.db2.gz XVILTEOMQWFNFJ-QGZVFWFLSA-N 2 0 311.514 2.689 20 0 DFADRP CC[NH+](CC)CCOC1CC[NH+](CCC(C)(C)OC)CC1 ZINC000346421415 428165601 /nfs/dbraw/zinc/16/56/01/428165601.db2.gz ANCWKGROWNJIQB-UHFFFAOYSA-N 2 0 300.487 2.624 20 0 DFADRP CC[N@@H+]1C[C@@H](C)N(CC[NH+](C)Cc2ccc(F)cc2)C[C@@H]1C ZINC000360114632 428169025 /nfs/dbraw/zinc/16/90/25/428169025.db2.gz HZLXISVFZOWYGK-JKSUJKDBSA-N 2 0 307.457 2.672 20 0 DFADRP COc1ccc(C[C@@H](C)[NH2+]C[C@H]2CCC[N@@H+](C(C)C)C2)cn1 ZINC000414124204 428210974 /nfs/dbraw/zinc/21/09/74/428210974.db2.gz PFNULSHGRKVQOZ-NVXWUHKLSA-N 2 0 305.466 2.731 20 0 DFADRP C[C@H]([NH2+]Cc1ccc(C[NH+]2CCC(O)CC2)cc1)[C@H]1C[C@H]1C ZINC000414114626 428212691 /nfs/dbraw/zinc/21/26/91/428212691.db2.gz LXCNNRRBKQUQGC-VCBZYWHSSA-N 2 0 302.462 2.777 20 0 DFADRP COc1ccc([C@@H](C)[NH2+]CCCN2CCC[N@H+](C)CC2)c(C)c1 ZINC000414123114 428212875 /nfs/dbraw/zinc/21/28/75/428212875.db2.gz OFUAEYOAMVAWQG-QGZVFWFLSA-N 2 0 319.493 2.682 20 0 DFADRP Cn1cnc(CC[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)c1 ZINC000414131298 428214187 /nfs/dbraw/zinc/21/41/87/428214187.db2.gz YYHPHFFDQSSRGT-ACDBMABISA-N 2 0 324.472 2.748 20 0 DFADRP C[C@H](O)C[N@@H+]1CC(C)(C)[C@@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000414140133 428217510 /nfs/dbraw/zinc/21/75/10/428217510.db2.gz IUPLBFFCHPWLNZ-LPHOPBHVSA-N 2 0 316.489 2.990 20 0 DFADRP CCN1CC[NH+](CCCC[NH2+]Cc2ccc3occc3c2)CC1 ZINC000352768485 428241064 /nfs/dbraw/zinc/24/10/64/428241064.db2.gz GAHSRQSTQVOSCU-UHFFFAOYSA-N 2 0 315.461 2.940 20 0 DFADRP C[C@@H]1C[NH+](C(C)(C)CNc2cc[nH+]c3ccccc23)C[C@@H](C)O1 ZINC000346588648 428228908 /nfs/dbraw/zinc/22/89/08/428228908.db2.gz AXBRSZMSNGWRLG-HUUCEWRRSA-N 2 0 313.445 2.956 20 0 DFADRP CC(C)[NH+]1CCC(O)(C[NH2+]C/C=C\c2ccc(F)c(F)c2)CC1 ZINC000352760889 428235240 /nfs/dbraw/zinc/23/52/40/428235240.db2.gz BFIJJCSCDDOWQV-ARJAWSKDSA-N 2 0 324.415 2.803 20 0 DFADRP [NH3+]CC1CC[NH+](Cc2ccccc2OCc2ccccn2)CC1 ZINC000346606444 428237219 /nfs/dbraw/zinc/23/72/19/428237219.db2.gz ANLJIWKMEOOQFY-UHFFFAOYSA-N 2 0 311.429 2.831 20 0 DFADRP CC[C@@H]([NH2+]Cc1cccnc1N1CC[NH+](C)CC1)[C@H]1CC1(C)C ZINC000414071892 428196375 /nfs/dbraw/zinc/19/63/75/428196375.db2.gz MCPHKMVFTGTWFT-IAGOWNOFSA-N 2 0 316.493 2.748 20 0 DFADRP COCC[N@H+](C)CCC[NH2+][C@H]1C[C@H](OC(C)(C)C)C1(C)C ZINC000414077031 428198093 /nfs/dbraw/zinc/19/80/93/428198093.db2.gz YRYWKYTZNYRLNA-GJZGRUSLSA-N 2 0 300.487 2.527 20 0 DFADRP COc1ccc(C[C@H](C)[NH2+][C@H](CC[NH+](C)C)C(C)(C)C)cn1 ZINC000414082326 428201038 /nfs/dbraw/zinc/20/10/38/428201038.db2.gz FMWDMBNMXPHPOW-GOEBONIOSA-N 2 0 307.482 2.977 20 0 DFADRP CC[C@@H]([NH2+]C[C@@H](C)CN1CC[NH+](CC)CC1)c1ccc(F)cn1 ZINC000352685268 428204516 /nfs/dbraw/zinc/20/45/16/428204516.db2.gz SWAHRUPSNMKVCE-NVXWUHKLSA-N 2 0 322.472 2.535 20 0 DFADRP [NH3+]C1CC[NH+](Cc2ccc(-n3cnc4ccccc43)cc2)CC1 ZINC000346684019 428274502 /nfs/dbraw/zinc/27/45/02/428274502.db2.gz GMYBNTOYMNESTG-UHFFFAOYSA-N 2 0 306.413 2.949 20 0 DFADRP Cc1ccc(C[N@@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@H](C)C2)cc1C ZINC000370695412 428275338 /nfs/dbraw/zinc/27/53/38/428275338.db2.gz AFFIDKZXOIEKPC-UYAOXDASSA-N 2 0 315.505 2.761 20 0 DFADRP C[C@@H]1C[C@H](C[NH3+])C[N@@H+]1Cc1cnn(-c2ccc(Cl)cc2)c1 ZINC000346693727 428276048 /nfs/dbraw/zinc/27/60/48/428276048.db2.gz PFAIVMRYZCGNGE-CHWSQXEVSA-N 2 0 304.825 2.695 20 0 DFADRP C[C@@H]([NH3+])[C@@H]1CC[N@H+](Cc2c[nH]nc2-c2ccc(Cl)cc2)C1 ZINC000346695075 428276812 /nfs/dbraw/zinc/27/68/12/428276812.db2.gz YDBLGJJMWMTTHG-DGCLKSJQSA-N 2 0 304.825 2.899 20 0 DFADRP C[C@@H]([NH3+])[C@H]1CC[N@H+](Cc2ccccc2OCc2ccccn2)C1 ZINC000346692535 428277936 /nfs/dbraw/zinc/27/79/36/428277936.db2.gz ZSVNDWAVDNDHCU-CVEARBPZSA-N 2 0 311.429 2.830 20 0 DFADRP CSc1ccc(C[NH2+]CCCC[N@@H+]2CCC[C@@H]2CO)s1 ZINC000352856445 428281252 /nfs/dbraw/zinc/28/12/52/428281252.db2.gz WUTPNJTWSFDDBZ-CYBMUJFWSA-N 2 0 314.520 2.797 20 0 DFADRP OC[C@@H]1CCC[N@@H+]1C[C@H]1CCCN1c1cc[nH+]c2ccccc21 ZINC000370723185 428284396 /nfs/dbraw/zinc/28/43/96/428284396.db2.gz SOYVSQARKFCKMP-CVEARBPZSA-N 2 0 311.429 2.660 20 0 DFADRP [NH3+][C@@H]1CCC[C@H]2C[N@H+](CCCOCCc3ccccc3)C[C@@H]21 ZINC000342076567 428292544 /nfs/dbraw/zinc/29/25/44/428292544.db2.gz AKEJWFZNOVEKIK-GBESFXJTSA-N 2 0 302.462 2.695 20 0 DFADRP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](CCCOCCc3ccccc3)C[C@H]21 ZINC000342076568 428293636 /nfs/dbraw/zinc/29/36/36/428293636.db2.gz AKEJWFZNOVEKIK-GUDVDZBRSA-N 2 0 302.462 2.695 20 0 DFADRP C[C@H](F)CC[NH+]1CCN([C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000352882258 428293916 /nfs/dbraw/zinc/29/39/16/428293916.db2.gz GWOUHNWTVIJJIL-HKUYNNGSSA-N 2 0 319.468 2.627 20 0 DFADRP CCC[NH+]1CCC([NH2+]CC[C@@H]2COc3ccccc3O2)CC1 ZINC000414434305 428295584 /nfs/dbraw/zinc/29/55/84/428295584.db2.gz QJFAWBBJLUXGRE-MRXNPFEDSA-N 2 0 304.434 2.681 20 0 DFADRP C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2ccc(-c3cc[nH]n3)o2)C1 ZINC000377840950 428243476 /nfs/dbraw/zinc/24/34/76/428243476.db2.gz XGZADXOOJIMOGX-CZUORRHYSA-N 2 0 300.406 2.586 20 0 DFADRP Cc1nn(-c2ccc(F)cc2)c(C)c1C[N@H+]1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000346631807 428248514 /nfs/dbraw/zinc/24/85/14/428248514.db2.gz CLJRWHUBONXJOX-SWLSCSKDSA-N 2 0 316.424 2.797 20 0 DFADRP CCc1ncc(C[NH2+]CCCC[NH+]2C[C@H](C)C[C@@H](C)C2)cn1 ZINC000414280761 428250827 /nfs/dbraw/zinc/25/08/27/428250827.db2.gz DTGHCWAZRUFHFW-HZPDHXFCSA-N 2 0 304.482 2.887 20 0 DFADRP C[C@H]([NH3+])[C@@H]1CC[N@H+](Cc2cccc(OCc3ccccn3)c2)C1 ZINC000346640204 428251222 /nfs/dbraw/zinc/25/12/22/428251222.db2.gz KWMVVWODHIRGSK-DOTOQJQBSA-N 2 0 311.429 2.830 20 0 DFADRP C[C@@H]([NH3+])[C@@H]1CC[N@H+](Cc2cccc(OCc3ccccn3)c2)C1 ZINC000346640205 428251882 /nfs/dbraw/zinc/25/18/82/428251882.db2.gz KWMVVWODHIRGSK-NVXWUHKLSA-N 2 0 311.429 2.830 20 0 DFADRP COc1ccc([C@@H](C)[NH2+][C@@H]2CCN(C3CC[NH+](C)CC3)C2)cc1 ZINC000370635746 428258697 /nfs/dbraw/zinc/25/86/97/428258697.db2.gz PTKDVXHJHUBLRX-NVXWUHKLSA-N 2 0 317.477 2.514 20 0 DFADRP C[C@H]([NH2+][C@@H]1CCN(C2CC[NH+](C)CC2)C1)c1ccc(F)cc1 ZINC000370637273 428259700 /nfs/dbraw/zinc/25/97/00/428259700.db2.gz UIVILDKNYXUMEA-WMLDXEAASA-N 2 0 305.441 2.645 20 0 DFADRP CC1(C[N@@H+]2CC[C@@]3(CC[NH+](Cc4ccccc4)C3)C2)COC1 ZINC000352815934 428260307 /nfs/dbraw/zinc/26/03/07/428260307.db2.gz MBOLMDXCIHZCJE-LJQANCHMSA-N 2 0 300.446 2.621 20 0 DFADRP CC[N@@H+]1CC[C@H]([NH2+][C@@H]2CCN(c3ccc(F)cc3)C2)[C@H](C)C1 ZINC000414344231 428262293 /nfs/dbraw/zinc/26/22/93/428262293.db2.gz KIVZSCKUVKEFLM-KYJSFNMBSA-N 2 0 305.441 2.724 20 0 DFADRP CC[NH+](CC)[C@@H](CNC(=O)[C@@]1(CC)CC[NH2+]C1)c1ccsc1 ZINC000370847312 428307262 /nfs/dbraw/zinc/30/72/62/428307262.db2.gz RAGNYQMEQVZSOW-RDJZCZTQSA-N 2 0 323.506 2.637 20 0 DFADRP CC1=C[C@H](C)C[C@@H](C[N@@H+]2CCC[C@H](CN3CC[NH+](C)CC3)C2)C1 ZINC000378126014 428314501 /nfs/dbraw/zinc/31/45/01/428314501.db2.gz AARGBPUSSBRYQQ-DFQSSKMNSA-N 2 0 319.537 2.938 20 0 DFADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CCCCS2)[C@@H](C)C1 ZINC000346786498 428318407 /nfs/dbraw/zinc/31/84/07/428318407.db2.gz CXNIQYROECFKAW-ULQDDVLXSA-N 2 0 314.539 2.999 20 0 DFADRP Cc1nc(C)c(C)c(NC[C@@H]2CC[N@@H+](C)[C@@H]2c2cccs2)n1 ZINC000378157845 428321491 /nfs/dbraw/zinc/32/14/91/428321491.db2.gz IUEHXLBNXGZNKL-HOCLYGCPSA-N 2 0 316.474 3.568 20 0 DFADRP CCC(C)(C)[NH2+][C@H](C)C(=O)N1CC[N@H+](C)CC12CCCCC2 ZINC000356822246 428323691 /nfs/dbraw/zinc/32/36/91/428323691.db2.gz SXIFFCICYHCBAK-OAHLLOKOSA-N 2 0 309.498 2.630 20 0 DFADRP CCOC[C@H](C)[NH2+][C@H]1CCN(Cc2cnc(C)s2)C[C@H]1C ZINC000378183361 428328030 /nfs/dbraw/zinc/32/80/30/428328030.db2.gz IXQSVAUCBSEPGY-WWGRRREGSA-N 2 0 311.495 2.677 20 0 DFADRP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](Cc3c[nH]nc3-c3ccc(F)cc3)C[C@H]21 ZINC000346823066 428332454 /nfs/dbraw/zinc/33/24/54/428332454.db2.gz KEERQLXTSXHVIZ-KBRIMQKVSA-N 2 0 314.408 2.775 20 0 DFADRP FC(F)(F)CC[NH+]1CCC(N[C@H]2CC[N@@H+]3CCCC[C@@H]23)CC1 ZINC000356844005 428335239 /nfs/dbraw/zinc/33/52/39/428335239.db2.gz LYIPOGOZOBEQEA-GJZGRUSLSA-N 2 0 319.415 2.620 20 0 DFADRP CCC1([NH2+]C2CCN(CCC(F)(F)F)CC2)CCOCC1 ZINC000356851157 428336729 /nfs/dbraw/zinc/33/67/29/428336729.db2.gz QXDFDUIOJAARRB-UHFFFAOYSA-N 2 0 308.388 2.952 20 0 DFADRP COc1cc(C[N@@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)c(SC)cc1OC ZINC000346840527 428342456 /nfs/dbraw/zinc/34/24/56/428342456.db2.gz FVHRBOBRPGNVFL-IACUBPJLSA-N 2 0 322.474 2.595 20 0 DFADRP CC(C)[NH+]1CCC([NH2+]C2(CO)C3CC4CC(C3)CC2C4)CC1 ZINC000414564235 428342898 /nfs/dbraw/zinc/34/28/98/428342898.db2.gz VJQBHKXLKKJMCG-UHFFFAOYSA-N 2 0 306.494 2.636 20 0 DFADRP CCc1cccnc1[C@@H](C)[NH2+]CC1CC[NH+](CCN(C)C)CC1 ZINC000356868903 428343430 /nfs/dbraw/zinc/34/34/30/428343430.db2.gz NNQYUIHUJNYPAR-MRXNPFEDSA-N 2 0 318.509 2.568 20 0 DFADRP CCOc1ccc(C[N@@H+]2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)cc1OCC ZINC000346851091 428345246 /nfs/dbraw/zinc/34/52/46/428345246.db2.gz QEGJQCABTNCIPE-XHSDSOJGSA-N 2 0 304.434 2.653 20 0 DFADRP Clc1ccc(CN2CCC[N@H+](C[C@@H]3CCC[NH2+]C3)CC2)cc1 ZINC000346852762 428348109 /nfs/dbraw/zinc/34/81/09/428348109.db2.gz XJFQVDBOGBQSMR-QGZVFWFLSA-N 2 0 321.896 2.847 20 0 DFADRP Cn1cc(C[N@@H+]2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)c(C2CCCCC2)n1 ZINC000346858798 428350057 /nfs/dbraw/zinc/35/00/57/428350057.db2.gz RXYNDGSZDWGMRE-UAGQMJEPSA-N 2 0 302.466 2.637 20 0 DFADRP CC1(C[NH+]2CCOCC2)CC[NH+](Cc2cccc(F)c2)CC1 ZINC000378274701 428352899 /nfs/dbraw/zinc/35/28/99/428352899.db2.gz SQANERLKXIIAMP-UHFFFAOYSA-N 2 0 306.425 2.760 20 0 DFADRP C[C@H]1C[N@H+](C)CC[C@H]1[NH2+]CC1CC[NH+](Cc2ccccc2)CC1 ZINC000360575541 428354905 /nfs/dbraw/zinc/35/49/05/428354905.db2.gz YXCCFJMIOXEAAF-FXAWDEMLSA-N 2 0 315.505 2.828 20 0 DFADRP [NH3+][C@@H]1CCC[C@H]2CN(CC(=O)Nc3cccc4ccccc43)C[C@@H]21 ZINC000342102446 428300349 /nfs/dbraw/zinc/30/03/49/428300349.db2.gz MCNULSSWEAUYTI-RYQLBKOJSA-N 2 0 323.440 2.838 20 0 DFADRP CSc1ccc(OCC[N@@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)cc1 ZINC000342101409 428300910 /nfs/dbraw/zinc/30/09/10/428300910.db2.gz KQMCOAXYHPJTPZ-XKQJLSEDSA-N 2 0 306.475 2.847 20 0 DFADRP CSc1ccc(OCC[N@@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)cc1 ZINC000342101407 428301880 /nfs/dbraw/zinc/30/18/80/428301880.db2.gz KQMCOAXYHPJTPZ-JQFCIGGWSA-N 2 0 306.475 2.847 20 0 DFADRP CC(C)C[C@@H]([NH3+])CN1CCC[C@H](c2cc(C(F)(F)F)n[nH]2)C1 ZINC000414740039 428391623 /nfs/dbraw/zinc/39/16/23/428391623.db2.gz CXIFZTSEDYPJEV-NWDGAFQWSA-N 2 0 318.387 2.981 20 0 DFADRP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)NCCCCC[NH+]1CCCCC1 ZINC000346978377 428392052 /nfs/dbraw/zinc/39/20/52/428392052.db2.gz LELHSZJDCORZIT-CALCHBBNSA-N 2 0 309.498 2.632 20 0 DFADRP COc1cc(CCC2CC[NH+](CCC[NH3+])CC2)cc(OC)c1 ZINC000414745460 428392674 /nfs/dbraw/zinc/39/26/74/428392674.db2.gz XZAUHPIFVHORHC-UHFFFAOYSA-N 2 0 306.450 2.697 20 0 DFADRP COC(=O)CCC[N@@H+](Cc1ccccc1)C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000414751333 428393453 /nfs/dbraw/zinc/39/34/53/428393453.db2.gz INMTYYYXZNMPIB-SJLPKXTDSA-N 2 0 318.461 2.830 20 0 DFADRP Cc1cc(C[N@@H+](C)[C@H]2CCN(C3CC[NH+](C)CC3)C2)c(C)s1 ZINC000378424007 428393579 /nfs/dbraw/zinc/39/35/79/428393579.db2.gz CZVAHUWVOIZFSY-SFHVURJKSA-N 2 0 321.534 2.965 20 0 DFADRP CC1(C)[C@H]([NH2+]CCc2cn3c(n2)CCCC3)[C@@H]2CCCO[C@H]21 ZINC000371506569 428393965 /nfs/dbraw/zinc/39/39/65/428393965.db2.gz SNXKKMOVNGKJLI-USXIJHARSA-N 2 0 303.450 2.555 20 0 DFADRP FC1(F)Oc2cccc(C[N@@H+]3CCC4(C3)CC[NH2+]CC4)c2O1 ZINC000414760147 428394127 /nfs/dbraw/zinc/39/41/27/428394127.db2.gz GIZHJPOEUZRAIN-UHFFFAOYSA-N 2 0 310.344 2.584 20 0 DFADRP C[C@H](c1cccc(F)c1)[N@@H+]1CCC[C@@H](CN2CC[NH+](C)CC2)C1 ZINC000378430045 428395663 /nfs/dbraw/zinc/39/56/63/428395663.db2.gz BMDGUKFQFKRVPR-SJORKVTESA-N 2 0 319.468 2.846 20 0 DFADRP Cn1c2cc(Cl)ccc2nc1C[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000414764410 428396984 /nfs/dbraw/zinc/39/69/84/428396984.db2.gz DJKWEGSKZHIGIJ-BETUJISGSA-N 2 0 318.852 2.658 20 0 DFADRP c1nc([C@@H]2CCCO2)sc1C[N@@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000414773076 428400201 /nfs/dbraw/zinc/40/02/01/428400201.db2.gz CTYDDMYRJAPCLL-FMKPAKJESA-N 2 0 321.490 2.816 20 0 DFADRP [NH3+]C[C@@H]1C[N@H+](Cc2cnc(C3CCC3)s2)CC12CCOCC2 ZINC000414774122 428401556 /nfs/dbraw/zinc/40/15/56/428401556.db2.gz FHXYUQDHCFFEDD-CQSZACIVSA-N 2 0 321.490 2.598 20 0 DFADRP c1nn(-c2ccccc2)cc1C[N@@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000414774039 428401663 /nfs/dbraw/zinc/40/16/63/428401663.db2.gz FCWZPWGANTXAHT-MSOLQXFVSA-N 2 0 310.445 2.694 20 0 DFADRP CC[N@@H+]1CC[C@H](C[NH2+][C@@H]2CCC(=O)Nc3ccc(F)cc32)C1 ZINC000371727769 428401995 /nfs/dbraw/zinc/40/19/95/428401995.db2.gz LSZQNDAYFOPQKH-IUODEOHRSA-N 2 0 305.397 2.531 20 0 DFADRP C[C@H]([NH2+]C[C@@H]1CCCN(C)[C@H]1c1cnn(C)c1)c1ccccn1 ZINC000378470552 428402679 /nfs/dbraw/zinc/40/26/79/428402679.db2.gz BXXGJKHUUFFWDP-RLFYNMQTSA-N 2 0 313.449 2.549 20 0 DFADRP Clc1ccc2nc(C[N@@H+]3CCC[C@@H]([C@@H]4CC[NH2+]C4)C3)cn2c1 ZINC000414780374 428403933 /nfs/dbraw/zinc/40/39/33/428403933.db2.gz LKLNUTKXLQLKGE-ZIAGYGMSSA-N 2 0 318.852 2.809 20 0 DFADRP C[NH2+]CC1CC[NH+](Cc2c[nH]nc2-c2c(F)cccc2F)CC1 ZINC000347004337 428404686 /nfs/dbraw/zinc/40/46/86/428404686.db2.gz AVBRAXHMZARTPS-UHFFFAOYSA-N 2 0 320.387 2.786 20 0 DFADRP Cc1cc(Cl)ccc1C[N@@H+]1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000414781940 428406578 /nfs/dbraw/zinc/40/65/78/428406578.db2.gz NUHPXEQTHHJBAT-HNNXBMFYSA-N 2 0 308.853 2.836 20 0 DFADRP C[C@H](CC(=O)Nc1cccc(F)c1)[NH2+][C@H]1CCCC[C@H]1C[NH3+] ZINC000414790846 428414400 /nfs/dbraw/zinc/41/44/00/428414400.db2.gz ALJZCJOGHUNDBC-WWGRRREGSA-N 2 0 307.413 2.650 20 0 DFADRP C[C@@H](Cc1ccc(Br)c(F)c1)[NH2+]C1CC[NH2+]CC1 ZINC000414786555 428408695 /nfs/dbraw/zinc/40/86/95/428408695.db2.gz XDMPUDJQFLWXAZ-JTQLQIEISA-N 2 0 315.230 2.861 20 0 DFADRP CC[C@H](C[N@@H+]1C[C@@H](C[NH3+])C2(C1)CCOCC2)c1ccccc1 ZINC000414786290 428410002 /nfs/dbraw/zinc/41/00/02/428410002.db2.gz UMRZBGBLBPWKOV-SJLPKXTDSA-N 2 0 302.462 2.868 20 0 DFADRP c1cn2c(n1)CC[C@@H]([NH2+][C@H](c1ccccc1)c1ccccn1)C2 ZINC000378492908 428410501 /nfs/dbraw/zinc/41/05/01/428410501.db2.gz HPOYRFAXFIRUGB-VQIMIIECSA-N 2 0 304.397 2.972 20 0 DFADRP c1c(C[N@@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)[nH]nc1-c1ccccc1 ZINC000414789963 428410531 /nfs/dbraw/zinc/41/05/31/428410531.db2.gz ZCTUKYDKRXJXPW-IRXDYDNUSA-N 2 0 310.445 2.898 20 0 DFADRP COc1ccc(OC)c(C[N@@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)c1 ZINC000414786693 428410962 /nfs/dbraw/zinc/41/09/62/428410962.db2.gz UTBATBKSSCSWEW-GJZGRUSLSA-N 2 0 304.434 2.525 20 0 DFADRP CC[NH+]1CCN(c2ccccc2C[NH2+][C@H]2C[C@H]2C(F)F)CC1 ZINC000342224660 428357769 /nfs/dbraw/zinc/35/77/69/428357769.db2.gz JBHBXWYJZNPRRC-CABCVRRESA-N 2 0 309.404 2.572 20 0 DFADRP COC(=O)CC[N@@H+]1CCC[C@@H]([NH+](C)Cc2ccccc2)CC1 ZINC000371099173 428360261 /nfs/dbraw/zinc/36/02/61/428360261.db2.gz LTPKFGPRGJZKRH-QGZVFWFLSA-N 2 0 304.434 2.536 20 0 DFADRP CCO[C@@H](CC[NH+](C)C)C[NH2+][C@H]1CSCCc2ccccc21 ZINC000166034990 273703148 /nfs/dbraw/zinc/70/31/48/273703148.db2.gz BGUXCACYTURKPE-WMZOPIPTSA-N 2 0 322.518 2.963 20 0 DFADRP Cc1nn(-c2cccc(F)c2)cc1C[N@H+]1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000414660390 428368249 /nfs/dbraw/zinc/36/82/49/428368249.db2.gz NZJYNIVJLKYDQI-HIFRSBDPSA-N 2 0 316.424 2.879 20 0 DFADRP C[NH2+]CC1CC[NH+](Cc2cn(-c3cccc(F)c3)nc2C)CC1 ZINC000414664299 428368313 /nfs/dbraw/zinc/36/83/13/428368313.db2.gz CBBQFDJJGLACRG-UHFFFAOYSA-N 2 0 316.424 2.751 20 0 DFADRP COc1cc(C)c(C[N@H+](C)C[C@H]2CC[NH2+][C@H](C)C2)cc1OC ZINC000414675261 428370215 /nfs/dbraw/zinc/37/02/15/428370215.db2.gz FNRRKTCYPFLKAB-CABCVRRESA-N 2 0 306.450 2.832 20 0 DFADRP CCOc1ccccc1N1CC[NH+](C[C@@H]2CC[NH2+][C@@H](C)C2)CC1 ZINC000414681812 428373642 /nfs/dbraw/zinc/37/36/42/428373642.db2.gz WRSKUIHVSQLGMC-DLBZAZTESA-N 2 0 317.477 2.595 20 0 DFADRP C[C@H]1C[C@@H](C[NH+]2CCC(C(=O)Nc3ccccc3)CC2)CC[NH2+]1 ZINC000414675657 428374044 /nfs/dbraw/zinc/37/40/44/428374044.db2.gz GJKZFQLLCAKUQC-HOTGVXAUSA-N 2 0 315.461 2.725 20 0 DFADRP CC[N@@H+](Cc1ccc(OC)c(OC)c1)C[C@H]1CC[NH2+][C@@H](C)C1 ZINC000414685148 428375600 /nfs/dbraw/zinc/37/56/00/428375600.db2.gz YEFHZCFRYKHPRR-HOCLYGCPSA-N 2 0 306.450 2.914 20 0 DFADRP C[C@@H]1C[C@H](C[N@@H+]2CCCC[C@@H]2c2nnc3n2CCCC3)CC[NH2+]1 ZINC000414690480 428377094 /nfs/dbraw/zinc/37/70/94/428377094.db2.gz IDXSDSILHSAVJW-BZUAXINKSA-N 2 0 317.481 2.530 20 0 DFADRP C[C@@H]1C[C@H](C[N@H+](C)[C@@H]2CCCN(c3ccccc3)C2)CC[NH2+]1 ZINC000414698142 428378400 /nfs/dbraw/zinc/37/84/00/428378400.db2.gz IPPRKZCMOFBPDF-ZHALLVOQSA-N 2 0 301.478 2.975 20 0 DFADRP CC1CC[NH+](C[C@@H]2CCC[N@H+](C[C@@H]3CC[NH2+][C@H](C)C3)C2)CC1 ZINC000414700881 428381660 /nfs/dbraw/zinc/38/16/60/428381660.db2.gz ZWRSXPRXBWMCGB-QRVBRYPASA-N 3 0 307.526 2.818 20 0 DFADRP CC(=O)c1ccccc1OCC[NH+]1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000357079654 428383038 /nfs/dbraw/zinc/38/30/38/428383038.db2.gz MNKQODJYBGGXDJ-QGZVFWFLSA-N 2 0 316.445 2.590 20 0 DFADRP Cc1ccc(C[N@H+]2CC[C@@H](N3CC[NH+](C(C)C)CC3)C2)s1 ZINC000371338144 428383937 /nfs/dbraw/zinc/38/39/37/428383937.db2.gz YWLDIYUBVYQEKH-MRXNPFEDSA-N 2 0 307.507 2.657 20 0 DFADRP OC[C@@H](Cc1ccc(F)cc1)[NH2+]C1CC[NH+](C2CCCC2)CC1 ZINC000378403576 428387600 /nfs/dbraw/zinc/38/76/00/428387600.db2.gz NMMYQKIMQQXNTO-GOSISDBHSA-N 2 0 320.452 2.726 20 0 DFADRP CC(C)n1c2ccccc2nc1[C@H]1CCC[N@@H+]1CCOCC[NH3+] ZINC000357101248 428387687 /nfs/dbraw/zinc/38/76/87/428387687.db2.gz GZDNCHQPLVSVFN-QGZVFWFLSA-N 2 0 316.449 2.729 20 0 DFADRP CSc1cc2c(cc1C[NH2+][C@H](C)[C@H]1CCC[NH2+]C1)OCCO2 ZINC000414854955 428435080 /nfs/dbraw/zinc/43/50/80/428435080.db2.gz MJJGEJMCRVGNRT-OLZOCXBDSA-N 2 0 322.474 2.657 20 0 DFADRP C[NH2+]CCC[NH2+][C@H](C)CC(=O)Nc1ccccc1C(F)(F)F ZINC000414859305 428436107 /nfs/dbraw/zinc/43/61/07/428436107.db2.gz MEQUHGYBHZYVBO-LLVKDONJSA-N 2 0 317.355 2.622 20 0 DFADRP CC[NH2+]CC1CC[NH+](Cc2cccc(OCCOC)c2)CC1 ZINC000347084470 428437267 /nfs/dbraw/zinc/43/72/67/428437267.db2.gz ALZVNMFZTJSHNL-UHFFFAOYSA-N 2 0 306.450 2.533 20 0 DFADRP CC[N@@H+]1CC[C@@H](N(C)Cc2cc(-c3cccnc3)n[nH]2)[C@H](C)C1 ZINC000372403464 428439762 /nfs/dbraw/zinc/43/97/62/428439762.db2.gz DCUSKCCOIUBAHG-RDTXWAMCSA-N 2 0 313.449 2.634 20 0 DFADRP C[C@H](NC1CC[NH+](Cc2cccs2)CC1)c1nccn1C ZINC000360791077 428439827 /nfs/dbraw/zinc/43/98/27/428439827.db2.gz DKZXPPHYTZUQTI-ZDUSSCGKSA-N 2 0 304.463 2.797 20 0 DFADRP CCOc1cc(CN[C@@H]2CCC[NH2+]C2)ccc1OC(F)F ZINC000414873230 428441895 /nfs/dbraw/zinc/44/18/95/428441895.db2.gz XKLIXMXSKAMVKU-GFCCVEGCSA-N 2 0 300.349 2.528 20 0 DFADRP CS[C@H](CO)[C@H](C)[NH2+][C@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000357228213 428442633 /nfs/dbraw/zinc/44/26/33/428442633.db2.gz FPRLUPWSEOYUQV-MXSMSXNCSA-N 2 0 322.518 2.599 20 0 DFADRP C[C@@H](Cc1ccc(Br)c(F)c1)[NH2+]CC1([NH3+])CCC1 ZINC000414879982 428444274 /nfs/dbraw/zinc/44/42/74/428444274.db2.gz QEEVVUKOJBZAHV-JTQLQIEISA-N 2 0 315.230 2.990 20 0 DFADRP C[C@@H]([NH2+][C@@H](C)CCN1CCOCC1)C1CCC(F)(F)CC1 ZINC000353237134 428444596 /nfs/dbraw/zinc/44/45/96/428444596.db2.gz RVDHHNQLKGQNOY-UONOGXRCSA-N 2 0 304.425 2.901 20 0 DFADRP COc1c[nH+]ccc1N1CC[NH+](C[C@H]2Cc3ccccc32)CC1 ZINC000347100497 428445477 /nfs/dbraw/zinc/44/54/77/428445477.db2.gz WBEZLXUERXMVKL-MRXNPFEDSA-N 2 0 309.413 2.552 20 0 DFADRP CSC[C@H](CCO)[NH2+][C@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000357232342 428445680 /nfs/dbraw/zinc/44/56/80/428445680.db2.gz NTBKFALWPOROAK-NJAFHUGGSA-N 2 0 322.518 2.601 20 0 DFADRP Fc1cncc(CN2C[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)c1 ZINC000347104823 428446741 /nfs/dbraw/zinc/44/67/41/428446741.db2.gz TYHPPJDFUFVKPU-HDICACEKSA-N 2 0 311.404 2.785 20 0 DFADRP C[C@H](C[NH3+])C[NH2+][C@@H](C)CC(=O)Nc1ccccc1C(F)(F)F ZINC000414885874 428447569 /nfs/dbraw/zinc/44/75/69/428447569.db2.gz XPOOEIXDCPWUEN-MNOVXSKESA-N 2 0 317.355 2.607 20 0 DFADRP C[C@@H]([NH3+])C1CC[NH+](Cc2cnc(-c3ccncc3)s2)CC1 ZINC000347117743 428454259 /nfs/dbraw/zinc/45/42/59/428454259.db2.gz UWCJUMNCGDHKKD-GFCCVEGCSA-N 2 0 302.447 2.764 20 0 DFADRP Cc1ccc(NC(=O)C[C@H](C)N[C@@H]2C[NH2+]CC[C@@H]2C)cc1Cl ZINC000414910851 428455468 /nfs/dbraw/zinc/45/54/68/428455468.db2.gz CVWLYIDDRCFKDO-HEHGZKQESA-N 2 0 323.868 2.953 20 0 DFADRP [NH3+][C@H]1CCC[C@H](NC2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000414910473 428455799 /nfs/dbraw/zinc/45/57/99/428455799.db2.gz CWVVMCQWEUXFCP-HKUYNNGSSA-N 3 0 301.478 2.553 20 0 DFADRP C[C@H]1CC[NH2+]C[C@H]1NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000414928175 428459374 /nfs/dbraw/zinc/45/93/74/428459374.db2.gz MPIAIXSJBFSYEG-QFMLELGNSA-N 2 0 313.489 2.770 20 0 DFADRP C[C@@H]1CC[NH2+]C[C@@H]1N[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000414925375 428460722 /nfs/dbraw/zinc/46/07/22/428460722.db2.gz JMYCNDSUAAGHTJ-RWQQGDIJSA-N 2 0 301.478 2.627 20 0 DFADRP C[C@H]1C[C@H]([NH2+]Cc2c[nH]nc2-c2cccc(Cl)c2)CC[NH2+]1 ZINC000414942432 428466492 /nfs/dbraw/zinc/46/64/92/428466492.db2.gz DKHTUDKWMSOPJF-XHDPSFHLSA-N 2 0 304.825 2.960 20 0 DFADRP Cc1cccc(NC(=O)C[C@H](C)[NH2+][C@H]2CC[NH2+][C@@H](C)C2)c1C ZINC000414950937 428468100 /nfs/dbraw/zinc/46/81/00/428468100.db2.gz PFNORRVOPSDFQZ-DZKIICNBSA-N 2 0 303.450 2.751 20 0 DFADRP C[C@H](CC(=O)Nc1cccc(Cl)c1)[NH2+][C@H]1CC[NH2+]C[C@H]1C ZINC000414948166 428468342 /nfs/dbraw/zinc/46/83/42/428468342.db2.gz XWLAGHSOEUHHKC-JMSVASOKSA-N 2 0 309.841 2.645 20 0 DFADRP Cc1cccc(NC(=O)C[C@H](C)[NH2+][C@@H]2CC[NH2+][C@H](C)C2)c1C ZINC000414950939 428468450 /nfs/dbraw/zinc/46/84/50/428468450.db2.gz PFNORRVOPSDFQZ-IJEWVQPXSA-N 2 0 303.450 2.751 20 0 DFADRP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+]1CCC[C@@H]1[C@@H]1CCCO1 ZINC000342845832 428469478 /nfs/dbraw/zinc/46/94/78/428469478.db2.gz XUQMOTSOFTZQJF-MSOLQXFVSA-N 2 0 312.417 2.719 20 0 DFADRP CCC(C)(C)[NH2+][C@@H](C)C(=O)NCC(C)(C)[N@@H+]1CCC[C@H](C)C1 ZINC000347031510 428414931 /nfs/dbraw/zinc/41/49/31/428414931.db2.gz CCYXPOSHNMYLGL-GJZGRUSLSA-N 2 0 311.514 2.780 20 0 DFADRP CC[NH+](CC)CCO[C@@H]1CC[N@H+](C[C@@H]2Cc3ccccc32)C1 ZINC000347034918 428415404 /nfs/dbraw/zinc/41/54/04/428415404.db2.gz PBUXQJFXISPRJW-ZWKOTPCHSA-N 2 0 302.462 2.759 20 0 DFADRP C[NH2+]CC1CC[NH+](Cc2cc(Cl)c(OC)c(OC)c2)CC1 ZINC000347034878 428416730 /nfs/dbraw/zinc/41/67/30/428416730.db2.gz DHOKCWUETYIHJM-UHFFFAOYSA-N 2 0 312.841 2.789 20 0 DFADRP COc1cc(C[NH2+][C@H]2CCC[C@H]2C[NH3+])ccc1OC(F)F ZINC000414801058 428417115 /nfs/dbraw/zinc/41/71/15/428417115.db2.gz SYYLXJBIPDIDMZ-RYUDHWBXSA-N 2 0 300.349 2.514 20 0 DFADRP COc1ccc(C[NH2+][C@H]2CCC[C@@H]2C[NH3+])cc1OC(F)F ZINC000414797783 428417303 /nfs/dbraw/zinc/41/73/03/428417303.db2.gz PNXNTRYXSRIDCH-NEPJUHHUSA-N 2 0 300.349 2.514 20 0 DFADRP C[NH2+]CC1CC[NH+](Cc2cc(OC)ccc2OC(F)F)CC1 ZINC000347038769 428417619 /nfs/dbraw/zinc/41/76/19/428417619.db2.gz ISIRXKZDGKLOLF-UHFFFAOYSA-N 2 0 314.376 2.728 20 0 DFADRP [NH3+]C[C@H]1CCCC[C@H]1[NH2+]Cc1cnc(-c2ccccn2)s1 ZINC000414812167 428419114 /nfs/dbraw/zinc/41/91/14/428419114.db2.gz WZGNFQHRVANNKO-TZMCWYRMSA-N 2 0 302.447 2.812 20 0 DFADRP C[C@H](CC(=O)N1CCCCCC1)[NH2+]Cc1ccc([C@H](C)[NH3+])cc1 ZINC000414809938 428419873 /nfs/dbraw/zinc/41/98/73/428419873.db2.gz HITZJAKHSILKIW-CVEARBPZSA-N 2 0 317.477 2.977 20 0 DFADRP OC1(C[N@@H+]2CC[C@@]3(C2)CCC[NH+](Cc2ccccc2)C3)CCC1 ZINC000342373874 428423467 /nfs/dbraw/zinc/42/34/67/428423467.db2.gz KXIKOGPXFMOEAZ-IBGZPJMESA-N 2 0 314.473 2.890 20 0 DFADRP Cc1ccc(NC(=O)C[C@H](C)[NH2+]C[C@@H]2CCC[NH2+]C2)c(C)c1 ZINC000414821645 428424592 /nfs/dbraw/zinc/42/45/92/428424592.db2.gz BGVXIVLVACMYAY-JKSUJKDBSA-N 2 0 303.450 2.610 20 0 DFADRP CCCOc1ccc(C[NH2+]CC[C@@H]2CC[NH2+]C2)cc1OCC ZINC000414825988 428425014 /nfs/dbraw/zinc/42/50/14/428425014.db2.gz DMFZTFOCTJEUDQ-HNNXBMFYSA-N 2 0 306.450 2.963 20 0 DFADRP Cc1ccc(NC(=O)C[C@H](C)[NH2+]C[C@H]2CCC[NH2+]C2)c(C)c1 ZINC000414821643 428425590 /nfs/dbraw/zinc/42/55/90/428425590.db2.gz BGVXIVLVACMYAY-HOTGVXAUSA-N 2 0 303.450 2.610 20 0 DFADRP CCOCc1cc(C[N@@H+]2CCC[C@@H]([C@@H](C)[NH3+])C2)ccc1OC ZINC000347053547 428427075 /nfs/dbraw/zinc/42/70/75/428427075.db2.gz SNMMOPQDOHPRLF-GDBMZVCRSA-N 2 0 306.450 2.791 20 0 DFADRP C[C@H](CC(=O)Nc1ccc(F)cc1)[NH2+]CC[C@@H]1CCC[NH2+]C1 ZINC000414831389 428427635 /nfs/dbraw/zinc/42/76/35/428427635.db2.gz DCAJIXVHRGSEGU-KGLIPLIRSA-N 2 0 307.413 2.522 20 0 DFADRP C[C@@H]1CCCC[C@@H]1[NH+]1CCC(NC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000414841135 428430289 /nfs/dbraw/zinc/43/02/89/428430289.db2.gz YWWIPCPKJWPOHR-NYJIRUKSSA-N 2 0 305.510 2.902 20 0 DFADRP CSC1(C[NH2+]Cc2cn(C)nc2C(C)(C)C)CC[NH+](C)CC1 ZINC000353208233 428430749 /nfs/dbraw/zinc/43/07/49/428430749.db2.gz JAAVYFHEIRUDMM-UHFFFAOYSA-N 2 0 324.538 2.635 20 0 DFADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1NCC1([NH3+])CCCCC1 ZINC000414837890 428431126 /nfs/dbraw/zinc/43/11/26/428431126.db2.gz HHNLLOBCATXBNO-SJLPKXTDSA-N 2 0 301.478 2.758 20 0 DFADRP CCOc1cc(C[NH2+]C[C@@H](C)C[NH2+]C)cc(Cl)c1OC ZINC000414845763 428433108 /nfs/dbraw/zinc/43/31/08/428433108.db2.gz SQIBEGSEBBZBDD-NSHDSACASA-N 2 0 300.830 2.692 20 0 DFADRP C[NH2+]C[C@@H](C)C[NH2+]C1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000414847631 428433184 /nfs/dbraw/zinc/43/31/84/428433184.db2.gz WCOWXYGYOIXWNI-CQSZACIVSA-N 2 0 309.885 2.750 20 0 DFADRP COc1cc(C[NH2+]C[C@H]2CCC[C@H]([NH3+])C2)cc(Cl)c1OC ZINC000414986941 428480589 /nfs/dbraw/zinc/48/05/89/428480589.db2.gz CXRMMTJWRCQXFT-AAEUAGOBSA-N 2 0 312.841 2.964 20 0 DFADRP CCC[NH+](CCC)CCCC(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000342893359 428481949 /nfs/dbraw/zinc/48/19/49/428481949.db2.gz QWLBHHYRVQHYKQ-IAGOWNOFSA-N 2 0 309.498 2.632 20 0 DFADRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@@H]1CCCC[C@@H]1[C@@H]1CCOC1 ZINC000353316895 428482337 /nfs/dbraw/zinc/48/23/37/428482337.db2.gz VMIPIURJTNAISP-BRSBDYLESA-N 2 0 312.498 2.528 20 0 DFADRP COCC[N@H+](C)CCC[NH2+][C@H]1CC(C)(C)c2cc(OC)ccc21 ZINC000353317942 428482748 /nfs/dbraw/zinc/48/27/48/428482748.db2.gz ZBNKTSFHCGUXAT-SFHVURJKSA-N 2 0 320.477 2.976 20 0 DFADRP [NH3+][C@H]1CCC[C@@H](C[NH2+]Cc2c[nH]nc2-c2ccc(F)cc2)C1 ZINC000414989531 428483606 /nfs/dbraw/zinc/48/36/06/428483606.db2.gz HJSHOQYMWSCPEZ-WBMJQRKESA-N 2 0 302.397 2.823 20 0 DFADRP COc1ccc(C[NH2+]C[C@@H]2CCC[C@@H]([NH3+])C2)cc1OC(F)F ZINC000414995755 428483720 /nfs/dbraw/zinc/48/37/20/428483720.db2.gz NVZNXRPPLNOISO-DGCLKSJQSA-N 2 0 314.376 2.904 20 0 DFADRP CC(C)[NH+]1CCC([NH2+]C[C@H]2Cc3ccccc3N(C)C2)CC1 ZINC000372679613 428487208 /nfs/dbraw/zinc/48/72/08/428487208.db2.gz FXKXFPOOKBHCGI-MRXNPFEDSA-N 2 0 301.478 2.758 20 0 DFADRP C[C@@H](CCCC[NH3+])[NH2+]C1CCN(CCc2ccc(F)cc2)CC1 ZINC000415009191 428488382 /nfs/dbraw/zinc/48/83/82/428488382.db2.gz DXSWCMHLIMOMLM-INIZCTEOSA-N 2 0 321.484 2.940 20 0 DFADRP CC(C)N1CCc2nc(C[NH2+][C@H](C)CCCC[NH3+])sc2C1 ZINC000415006839 428488393 /nfs/dbraw/zinc/48/83/93/428488393.db2.gz AMYYZPZFMNVFLE-CYBMUJFWSA-N 2 0 310.511 2.517 20 0 DFADRP C[C@@H]1C[C@H](N[C@@H]2C[NH2+]CCC2(F)F)CC[N@@H+]1Cc1ccccc1 ZINC000415008009 428488429 /nfs/dbraw/zinc/48/84/29/428488429.db2.gz VLJKWJHOFMYBPG-DJIMGWMZSA-N 2 0 323.431 2.626 20 0 DFADRP C[C@@H]1C[NH+](CCC2CC[NH+](C[C@H]3CCCOC3)CC2)C[C@@H](C)O1 ZINC000342922424 428490398 /nfs/dbraw/zinc/49/03/98/428490398.db2.gz WHDFEYCMHUOQJQ-ZHALLVOQSA-N 2 0 324.509 2.624 20 0 DFADRP C[NH+](C)CC1CC[NH+](CCCc2ccc3c(c2)CCO3)CC1 ZINC000360921951 428490797 /nfs/dbraw/zinc/49/07/97/428490797.db2.gz YQZJHAIWQSOCAE-UHFFFAOYSA-N 2 0 302.462 2.828 20 0 DFADRP COc1ccc(C[NH2+][C@@H]2C[C@H]2C2CC[NH2+]CC2)c(Cl)c1OC ZINC000415015307 428491793 /nfs/dbraw/zinc/49/17/93/428491793.db2.gz YFHGODUMKRWRRM-UONOGXRCSA-N 2 0 324.852 2.835 20 0 DFADRP COc1ccc(C[NH2+][C@H]2CC[C@H](C[NH3+])C2)cc1OCC(C)C ZINC000415031514 428492519 /nfs/dbraw/zinc/49/25/19/428492519.db2.gz GXYCXTFQFHIGGD-HOCLYGCPSA-N 2 0 306.450 2.947 20 0 DFADRP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[C@@H](C[NH3+])C2)CCN1Cc1ccccc1 ZINC000415027733 428493301 /nfs/dbraw/zinc/49/33/01/428493301.db2.gz BKTHBBPWOZADAF-NXWXRZEISA-N 2 0 301.478 2.757 20 0 DFADRP c1ccc(CC[C@@H]2CCC[C@H]2[NH2+]C[C@H]2C[NH2+]CCCO2)cc1 ZINC000415030447 428493416 /nfs/dbraw/zinc/49/34/16/428493416.db2.gz CKRCIVDUSSMTOX-IPMKNSEASA-N 2 0 302.462 2.756 20 0 DFADRP [NH3+]C[C@H]1CC[C@@H]([NH2+]Cc2ccc(OCC(F)(F)F)c(F)c2)C1 ZINC000415029590 428493722 /nfs/dbraw/zinc/49/37/22/428493722.db2.gz DYRQPUWXWIYFAK-CMPLNLGQSA-N 2 0 320.330 2.984 20 0 DFADRP [NH3+]C[C@@H]1CC[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC000415028128 428493986 /nfs/dbraw/zinc/49/39/86/428493986.db2.gz CGQGNQZLJCDPNL-MJIXASBWSA-N 3 0 313.489 2.899 20 0 DFADRP c1cn(-c2ccc(C[N@@H+]3CCCC[C@@H]3[C@H]3CC[NH2+]C3)cc2)cn1 ZINC000415035642 428494895 /nfs/dbraw/zinc/49/48/95/428494895.db2.gz DXYSCHHNODEASE-PKOBYXMFSA-N 2 0 310.445 2.836 20 0 DFADRP Cc1cccc([C@@H](C)[NH2+][C@H](CC(C)C)C(=O)NCC[NH+](C)C)c1 ZINC000347215047 428495894 /nfs/dbraw/zinc/49/58/94/428495894.db2.gz XZGSVVSNUNCRET-SJLPKXTDSA-N 2 0 319.493 2.738 20 0 DFADRP COc1cc(Br)ccc1C[NH2+][C@@H]1CC[C@H](C[NH3+])C1 ZINC000415036013 428496290 /nfs/dbraw/zinc/49/62/90/428496290.db2.gz KZXQWPKITMYUMF-GXFFZTMASA-N 2 0 313.239 2.675 20 0 DFADRP COc1cccc(C[NH2+][C@@H]2CC[C@@H](C[NH3+])C2)c1OC(F)F ZINC000415037926 428496460 /nfs/dbraw/zinc/49/64/60/428496460.db2.gz MVZVOMYKEUHYAG-ZYHUDNBSSA-N 2 0 300.349 2.514 20 0 DFADRP [NH3+]C[C@@H]1CC[C@@H]([NH2+]Cc2cccc(OCC(F)(F)F)c2)C1 ZINC000415046851 428497529 /nfs/dbraw/zinc/49/75/29/428497529.db2.gz VKLRTNGSIIEZRY-DGCLKSJQSA-N 2 0 302.340 2.845 20 0 DFADRP Cc1nn(-c2cccc(F)c2)cc1C[NH2+][C@H]1CC[C@H](C[NH3+])C1 ZINC000415046846 428497888 /nfs/dbraw/zinc/49/78/88/428497888.db2.gz VKKNYMHMHPCTPJ-BBRMVZONSA-N 2 0 302.397 2.537 20 0 DFADRP [NH3+]C[C@@H]1CC[C@H]([NH2+]Cc2cnn(-c3ccc(Cl)cc3)c2)C1 ZINC000415041873 428497908 /nfs/dbraw/zinc/49/79/08/428497908.db2.gz QGAYSLQNDWYPHP-DOMZBBRYSA-N 2 0 304.825 2.743 20 0 DFADRP CCc1cccc(C[N@H+](C)[C@H]2CCN(C3CC[NH+](C)CC3)C2)c1 ZINC000372740266 428498274 /nfs/dbraw/zinc/49/82/74/428498274.db2.gz MFMDKIINDAHUKY-FQEVSTJZSA-N 2 0 315.505 2.849 20 0 DFADRP COc1ccc(C2CCC([NH2+]C[C@H]3C[NH2+]CCCO3)CC2)cc1 ZINC000415042637 428498710 /nfs/dbraw/zinc/49/87/10/428498710.db2.gz QTXHVCKQAIIOOY-GXOAENINSA-N 2 0 318.461 2.690 20 0 DFADRP Cc1ccc(C[N@H+]2C[C@@H](C)[C@](C)(C[NH3+])C2)c(-c2cnn(C)c2)c1 ZINC000415049612 428500633 /nfs/dbraw/zinc/50/06/33/428500633.db2.gz DRQLBFOKOQFHQY-DNVCBOLYSA-N 2 0 312.461 2.812 20 0 DFADRP C[C@@H]1[NH2+]CCC[C@@H]1N[C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]12 ZINC000396573875 428501894 /nfs/dbraw/zinc/50/18/94/428501894.db2.gz BOENFCLBRXKJDU-FAJAVTLNSA-N 2 0 313.489 2.627 20 0 DFADRP COc1ccc(CC[C@@H](C)[N@@H+]2C[C@@H](C)[C@](C)(C[NH3+])C2)cc1O ZINC000415058441 428504270 /nfs/dbraw/zinc/50/42/70/428504270.db2.gz RRBUBWVACBYJEM-HBUWYVDXSA-N 2 0 306.450 2.639 20 0 DFADRP COc1ccc(C[C@H](C)C[N@@H+]2C[C@@H](C)[C@](C)(C[NH3+])C2)cc1F ZINC000415058944 428504696 /nfs/dbraw/zinc/50/46/96/428504696.db2.gz SMIXBRHIUGBSEP-PMUMKWKESA-N 2 0 308.441 2.930 20 0 DFADRP C[C@H](CCc1ccccc1)[NH2+]C1CCC([NH+]2CCNCC2)CC1 ZINC000415058500 428504873 /nfs/dbraw/zinc/50/48/73/428504873.db2.gz SZYPWQLMIHSQSN-QHGAOEGBSA-N 2 0 315.505 2.814 20 0 DFADRP C[C@H](c1ccc(C(F)(F)F)cc1)[NH+]1CCC(O)(C[NH3+])CC1 ZINC000396961392 428507117 /nfs/dbraw/zinc/50/71/17/428507117.db2.gz BYYILYFAABRHSB-LLVKDONJSA-N 2 0 302.340 2.552 20 0 DFADRP CC(C)C[NH+]1CCC(NCc2cn(C)nc2C(F)F)CC1 ZINC000360956835 428507970 /nfs/dbraw/zinc/50/79/70/428507970.db2.gz WPLMPFCRZFLSBT-UHFFFAOYSA-N 2 0 300.397 2.568 20 0 DFADRP C[C@@H]1C[C@@H](C)[N@H+](CCC(=O)Nc2ccccc2Cl)C[C@H]1C[NH3+] ZINC000397338209 428508630 /nfs/dbraw/zinc/50/86/30/428508630.db2.gz CLDUSZJNSPYPAX-MGPQQGTHSA-N 2 0 323.868 2.974 20 0 DFADRP CC[NH+](CC)C[C@@H]1CCCC[C@H]1NCC(=O)Nc1nccs1 ZINC000360955089 428508841 /nfs/dbraw/zinc/50/88/41/428508841.db2.gz AZNHYDDVZFGARG-UONOGXRCSA-N 2 0 324.494 2.572 20 0 DFADRP COc1ccc(OCC[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)cc1 ZINC000415075759 428509845 /nfs/dbraw/zinc/50/98/45/428509845.db2.gz ACBJQKPFHNCIRD-KURKYZTESA-N 2 0 304.434 2.584 20 0 DFADRP C[C@@H]([NH2+]CC1(c2ccccc2Cl)CCOCC1)[C@H]1CC[NH2+]C1 ZINC000415074946 428510663 /nfs/dbraw/zinc/51/06/63/428510663.db2.gz DCRMSGHTCIEMAA-CABCVRRESA-N 2 0 322.880 2.976 20 0 DFADRP CC1CC[NH+]([C@H](CN[C@H]2CCC[NH2+]C2)c2cccs2)CC1 ZINC000415074905 428510696 /nfs/dbraw/zinc/51/06/96/428510696.db2.gz AYWBFNBJAYSYEH-JKSUJKDBSA-N 2 0 307.507 2.863 20 0 DFADRP COc1ccc(CCC[NH2+][C@@H](C)C[C@@H]2CCC[NH2+]2)cc1OC ZINC000415077025 428512994 /nfs/dbraw/zinc/51/29/94/428512994.db2.gz DORXXSNKSRLMEJ-HOCLYGCPSA-N 2 0 306.450 2.757 20 0 DFADRP CC[N@@H+]1CC[C@H](N[C@H]2CC[NH+](Cc3ccccc3)C[C@H]2C)C1 ZINC000398011184 428514650 /nfs/dbraw/zinc/51/46/50/428514650.db2.gz DBFLUAPPVXKBDN-NEWSRXKRSA-N 2 0 301.478 2.581 20 0 DFADRP [NH3+]C1CCC([NH2+]CCOc2cccc(Br)c2)CC1 ZINC000415085584 428515025 /nfs/dbraw/zinc/51/50/25/428515025.db2.gz SUYUHQKFEDMNLN-UHFFFAOYSA-N 2 0 313.239 2.687 20 0 DFADRP C[C@@]1(C[NH2+]C2CCC([NH3+])CC2)CCCN1Cc1ccccc1 ZINC000398010987 428515871 /nfs/dbraw/zinc/51/58/71/428515871.db2.gz MJERVVLKVVZIQY-ACBHZAAOSA-N 2 0 301.478 2.901 20 0 DFADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1N[C@H]1CCC[C@H]([NH3+])C1 ZINC000398004322 428516426 /nfs/dbraw/zinc/51/64/26/428516426.db2.gz AJFYXBDPCZNKDT-BVBHFADKSA-N 2 0 301.478 2.757 20 0 DFADRP C[C@H](C(=O)N1CCC([NH+]2CCCCC2)CC1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000343085279 428518003 /nfs/dbraw/zinc/51/80/03/428518003.db2.gz NLLCAPGEWWZCIS-IXDOHACOSA-N 2 0 321.509 2.725 20 0 DFADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)CCC(C)(C)[NH3+] ZINC000398084367 428518446 /nfs/dbraw/zinc/51/84/46/428518446.db2.gz SXNMURRJYRLERS-NVXWUHKLSA-N 2 0 317.477 2.531 20 0 DFADRP [NH3+][C@@H]1CCO[C@@H](C2CC[NH+](C/C=C/c3ccccc3)CC2)C1 ZINC000415131062 428532175 /nfs/dbraw/zinc/53/21/75/428532175.db2.gz YKNBJHIZQQLEEF-LVLPYEQSSA-N 2 0 300.446 2.918 20 0 DFADRP COCc1cccc(C[NH+]2CCC([C@H]3OCCC[C@H]3[NH3+])CC2)c1 ZINC000415106362 428521166 /nfs/dbraw/zinc/52/11/66/428521166.db2.gz JHNYPJZFNPJOGT-RTBURBONSA-N 2 0 318.461 2.551 20 0 DFADRP CC[NH+]1CCN(c2cccc(NC[C@@H]([NH3+])CC(C)C)c2)CC1 ZINC000415107479 428521649 /nfs/dbraw/zinc/52/16/49/428521649.db2.gz OXRBYVFPMYXRHF-INIZCTEOSA-N 2 0 304.482 2.614 20 0 DFADRP COc1cc(OC)c(OC)cc1C[NH2+]C1CCC([NH+](C)C)CC1 ZINC000353403883 428522960 /nfs/dbraw/zinc/52/29/60/428522960.db2.gz MYGKUTQVMCBQIQ-UHFFFAOYSA-N 2 0 322.449 2.675 20 0 DFADRP CC[NH+]1CCN(c2cccc(NC[C@H]3CC[NH2+][C@H](C)C3)c2)CC1 ZINC000415116176 428526064 /nfs/dbraw/zinc/52/60/64/428526064.db2.gz ZFEWNCKDTGKJBB-SJORKVTESA-N 2 0 316.493 2.629 20 0 DFADRP CN(C)c1ccccc1CN1C[C@@H](c2cccc(F)c2)[C@H]([NH3+])C1 ZINC000415118550 428527515 /nfs/dbraw/zinc/52/75/15/428527515.db2.gz DMSWUOFUUIUMRK-ZWKOTPCHSA-N 2 0 313.420 2.818 20 0 DFADRP C[C@@H](C[NH2+][C@@H](C)C1CCC(F)(F)CC1)CN1CC[NH+](C)CC1 ZINC000353294695 428472447 /nfs/dbraw/zinc/47/24/47/428472447.db2.gz VPGHLSGIWVMFQO-GJZGRUSLSA-N 2 0 317.468 2.674 20 0 DFADRP C[C@@H](CCC[NH3+])[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000390566593 428473752 /nfs/dbraw/zinc/47/37/52/428473752.db2.gz AUMIQRYOOMUIGY-UXDRXVOSSA-N 3 0 301.478 2.899 20 0 DFADRP COc1ccccc1-n1nccc1C[NH2+]CCC[C@@H]1CCC[NH2+]1 ZINC000414965811 428474510 /nfs/dbraw/zinc/47/45/10/428474510.db2.gz NTVYUIODOKFLJC-OAHLLOKOSA-N 2 0 314.433 2.503 20 0 DFADRP COC[C@]1(C[NH2+][C@@H]2CCC[C@@H]2c2ccc(C)cc2)CCC[NH2+]1 ZINC000414962085 428474556 /nfs/dbraw/zinc/47/45/56/428474556.db2.gz VWWYPNKSVYKGMZ-GUDVDZBRSA-N 2 0 302.462 2.989 20 0 DFADRP Oc1cccc(C[NH2+]CCC[C@@H]2CCC[NH2+]2)c1Br ZINC000414967223 428475019 /nfs/dbraw/zinc/47/50/19/428475019.db2.gz PTVAEKXMLAUSTD-GFCCVEGCSA-N 2 0 313.239 2.777 20 0 DFADRP COC[C@]1(C[NH2+][C@H]2CCC[C@@H]2c2ccc(C)cc2)CCC[NH2+]1 ZINC000414962079 428475426 /nfs/dbraw/zinc/47/54/26/428475426.db2.gz VWWYPNKSVYKGMZ-CEXWTWQISA-N 2 0 302.462 2.989 20 0 DFADRP COCC1(C[NH2+][C@H](C)CCc2cccc(C)c2)CC[NH2+]CC1 ZINC000414978049 428476876 /nfs/dbraw/zinc/47/68/76/428476876.db2.gz SEIPAWADUZXERW-QGZVFWFLSA-N 2 0 304.478 2.922 20 0 DFADRP c1sc(-c2ccccn2)nc1C[NH2+]CCC[C@H]1CCC[NH2+]1 ZINC000414976019 428478200 /nfs/dbraw/zinc/47/82/00/428478200.db2.gz PJVMZLYFQZDSFE-ZDUSSCGKSA-N 2 0 302.447 2.827 20 0 DFADRP Cc1ccccc1NC(=O)C[C@@H](C)[NH2+]CCC[C@@H]1CCC[NH2+]1 ZINC000414977737 428478810 /nfs/dbraw/zinc/47/88/10/428478810.db2.gz RQIWETAEILOAOJ-HZPDHXFCSA-N 2 0 303.450 2.834 20 0 DFADRP Brc1cnc(C[NH2+]CCC[C@H]2CCC[NH2+]2)s1 ZINC000414976915 428478896 /nfs/dbraw/zinc/47/88/96/428478896.db2.gz QRNSCHKLBFRZAX-VIFPVBQESA-N 2 0 304.257 2.527 20 0 DFADRP C[C@@H]([NH3+])CCNC(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC000414972792 428478943 /nfs/dbraw/zinc/47/89/43/428478943.db2.gz YJENMYSUAKTMDE-OAHLLOKOSA-N 2 0 318.465 2.574 20 0 DFADRP O=C(Nc1ccc(C[NH+]2CCCC2)cc1)[C@@H]1CC[C@@H](C2CC2)[NH2+]1 ZINC000407304148 428580272 /nfs/dbraw/zinc/58/02/72/428580272.db2.gz DGMXNKSIRQMEKL-ROUUACIJSA-N 2 0 313.445 2.752 20 0 DFADRP C[NH+](C)CCOC1CC[NH+](Cc2ccc3ncccc3c2)CC1 ZINC000353546912 428587671 /nfs/dbraw/zinc/58/76/71/428587671.db2.gz XSIQTNINNGREEE-UHFFFAOYSA-N 2 0 313.445 2.777 20 0 DFADRP C[C@H]1CC[N@H+](Cc2cn(C)nc2-c2cccs2)C[C@H]1C[NH3+] ZINC000415136605 428535535 /nfs/dbraw/zinc/53/55/35/428535535.db2.gz XKDUNGMIFHTSJA-QWHCGFSZSA-N 2 0 304.463 2.565 20 0 DFADRP Cc1ccc(C[N@@H+]2CC3(CC[NH2+]CC3)[C@@H]3COC[C@@H]32)cc1Cl ZINC000415140452 428536845 /nfs/dbraw/zinc/53/68/45/428536845.db2.gz NLDGIHYPZIFJOV-WBVHZDCISA-N 2 0 320.864 2.849 20 0 DFADRP CC(C)[C@@H](C(=O)NCC1([NH+]2CCCCC2)CCCCC1)[C@H](C)[NH3+] ZINC000399391446 428540462 /nfs/dbraw/zinc/54/04/62/428540462.db2.gz SNCPFTMSNGQZNB-DLBZAZTESA-N 2 0 323.525 2.911 20 0 DFADRP C[C@H](N[C@@H]1CC[N@H+](Cc2ccccc2)CC1(C)C)[C@@H]1CC[NH2+]C1 ZINC000400331267 428543419 /nfs/dbraw/zinc/54/34/19/428543419.db2.gz DQPVUKJYFKVDCN-QXAKKESOSA-N 2 0 315.505 2.875 20 0 DFADRP CC(C)[C@H](CN(C)Cc1ccccc1)[NH2+][C@@H](C)[C@@H]1CC[NH2+]C1 ZINC000400337548 428543541 /nfs/dbraw/zinc/54/35/41/428543541.db2.gz DRTCNDVXWIBTMX-UHOSZYNNSA-N 2 0 303.494 2.731 20 0 DFADRP CO[C@@H](C[NH2+]CC1CC[NH+](Cc2ccccc2)CC1)C1CC1 ZINC000400116989 428543857 /nfs/dbraw/zinc/54/38/57/428543857.db2.gz JBPSDMVNUMCXLB-IBGZPJMESA-N 2 0 302.462 2.913 20 0 DFADRP C[C@@H]([NH2+]CCc1ccc(Br)s1)[C@@H]1CC[NH2+]C1 ZINC000400360519 428544239 /nfs/dbraw/zinc/54/42/39/428544239.db2.gz NLNRRQUURLLENQ-NXEZZACHSA-N 2 0 303.269 2.641 20 0 DFADRP C[C@H](Cc1ccc(Br)cc1)[NH2+][C@H](C)[C@H]1CC[NH2+]C1 ZINC000400502404 428545410 /nfs/dbraw/zinc/54/54/10/428545410.db2.gz IXGXWBJMQPWEBR-BZPMIXESSA-N 2 0 311.267 2.968 20 0 DFADRP C[C@@H]1CCC[N@H+](CCCC[NH2+][C@@H]2CC[NH+](C)[C@H]3CCC[C@H]32)C1 ZINC000353462311 428549147 /nfs/dbraw/zinc/54/91/47/428549147.db2.gz IOHVOMNCUNASCQ-HCXYKTFWSA-N 2 0 307.526 2.961 20 0 DFADRP Brc1cc(C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)cs1 ZINC000401061347 428550618 /nfs/dbraw/zinc/55/06/18/428550618.db2.gz XHEKDTCUQDPLPX-SDDRHHMPSA-N 2 0 315.280 2.988 20 0 DFADRP CC(C)[N@H+](C)CCN[C@@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000361328774 428557989 /nfs/dbraw/zinc/55/79/89/428557989.db2.gz QYKBXJYYPFGGOB-IEBWSBKVSA-N 2 0 303.494 2.969 20 0 DFADRP C[C@H]([NH3+])CCC(=O)N1C[C@H](C)[N@H+](Cc2ccccc2)[C@H](C)[C@@H]1C ZINC000404326094 428566107 /nfs/dbraw/zinc/56/61/07/428566107.db2.gz VHVBCTWYEUJTLL-NXOAAHMSSA-N 2 0 317.477 2.624 20 0 DFADRP CC[C@@H](C[NH+]1CCC([N@H+](C)CCCO)CC1)c1ccccc1 ZINC000353503319 428567755 /nfs/dbraw/zinc/56/77/55/428567755.db2.gz IGOWALFMUMIGJV-KRWDZBQOSA-N 2 0 304.478 2.959 20 0 DFADRP C[N@@H+]1CC[C@H]([NH2+]CCc2ccn(-c3ccccc3)n2)[C@@H]2CCC[C@@H]21 ZINC000353498750 428567928 /nfs/dbraw/zinc/56/79/28/428567928.db2.gz BLVMAXFSZVHFNQ-UFYCRDLUSA-N 2 0 324.472 2.877 20 0 DFADRP C[N@@H+]1CC[C@H]([NH2+]CCN2CCc3sccc3C2)[C@@H]2CCC[C@H]21 ZINC000353501042 428568316 /nfs/dbraw/zinc/56/83/16/428568316.db2.gz HQHBDYYSQVWNPJ-YESZJQIVSA-N 2 0 319.518 2.569 20 0 DFADRP C[C@@H]1C[C@H]([NH2+][C@@H]2CCn3ccnc3C2)CCN1Cc1ccccc1 ZINC000361455794 428571238 /nfs/dbraw/zinc/57/12/38/428571238.db2.gz FYRXCOFQWULQPP-BHIYHBOVSA-N 2 0 324.472 2.841 20 0 DFADRP CCC[NH+]1CCC(NC(=O)[C@H](c2ccccc2)[N@H+](C)CC)CC1 ZINC000343825842 428575227 /nfs/dbraw/zinc/57/52/27/428575227.db2.gz JOHJVESUPFSZDF-SFHVURJKSA-N 2 0 317.477 2.670 20 0 DFADRP Cc1ncc([C@H](C)[NH2+]CCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)c(C)n1 ZINC000358032951 428577654 /nfs/dbraw/zinc/57/76/54/428577654.db2.gz DSGBYCPFGMZWMV-ZNMIVQPWSA-N 2 0 320.481 2.633 20 0 DFADRP COC1(C[NH+]2CCC(OCC[NH+]3CCCC3)CC2)CCCCC1 ZINC000361570559 428578281 /nfs/dbraw/zinc/57/82/81/428578281.db2.gz DCJLPAONGZDBSO-UHFFFAOYSA-N 2 0 324.509 2.913 20 0 DFADRP CC[NH+](CC)CCO[C@H]1CC[N@H+](CC2(OC)CCCCC2)C1 ZINC000361571893 428580081 /nfs/dbraw/zinc/58/00/81/428580081.db2.gz ORKYSLBGUDUBDE-KRWDZBQOSA-N 2 0 312.498 2.768 20 0 DFADRP CC[NH+](CC)Cc1cccc(NC(=O)[C@H]2CC[C@@H](C3CC3)[NH2+]2)c1 ZINC000407300414 428580145 /nfs/dbraw/zinc/58/01/45/428580145.db2.gz BTGKNTZZKINBBW-ZWKOTPCHSA-N 2 0 315.461 2.998 20 0 DFADRP CCO[C@@H]1C[C@H]([NH2+]CC2(SC)CC[NH+](C)CC2)C1(C)C ZINC000353639689 428634118 /nfs/dbraw/zinc/63/41/18/428634118.db2.gz DQMNAPIUQJLQHP-UONOGXRCSA-N 2 0 300.512 2.607 20 0 DFADRP CC(C)[N@@H+](C)C[C@H](C)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000353574145 428602956 /nfs/dbraw/zinc/60/29/56/428602956.db2.gz WNKWJMKDIRVBKM-KRWDZBQOSA-N 2 0 303.494 2.969 20 0 DFADRP CC(C)C[N@@H+]1CCC[C@H]1CNC(=O)C1(C[NH+](C)C)CCCCC1 ZINC000358561712 428607697 /nfs/dbraw/zinc/60/76/97/428607697.db2.gz WKDUYRXEIHSHLL-KRWDZBQOSA-N 2 0 323.525 2.735 20 0 DFADRP O[C@@H](C[NH2+][C@@H](CC1CCC1)c1ccccc1)C[NH+]1CCCC1 ZINC000344020990 428608389 /nfs/dbraw/zinc/60/83/89/428608389.db2.gz NATWYJGHEJCVHP-OALUTQOASA-N 2 0 302.462 2.964 20 0 DFADRP C[C@@H]1CN(C)C[C@@H]1[NH2+]C1[C@@H](C)C[NH+](Cc2ccccc2)C[C@@H]1C ZINC000361970010 428608576 /nfs/dbraw/zinc/60/85/76/428608576.db2.gz FEASUMZQBDYZOG-DFEOGRTESA-N 2 0 315.505 2.683 20 0 DFADRP O[C@H](C[NH2+][C@H](CC1CCC1)c1ccccc1)C[NH+]1CCCC1 ZINC000344020994 428608952 /nfs/dbraw/zinc/60/89/52/428608952.db2.gz NATWYJGHEJCVHP-RTBURBONSA-N 2 0 302.462 2.964 20 0 DFADRP C[NH+](C)CC1(C(=O)N2CCC[C@@H]([NH+]3CCCC3)C2)CCCCC1 ZINC000358622183 428610511 /nfs/dbraw/zinc/61/05/11/428610511.db2.gz AHOSLMQHQOZZBO-QGZVFWFLSA-N 2 0 321.509 2.585 20 0 DFADRP C[N@@H+]1CC[C@H]([NH2+]Cc2ccnc(OC3CCC3)c2)[C@@H]2CCC[C@@H]21 ZINC000353611810 428620543 /nfs/dbraw/zinc/62/05/43/428620543.db2.gz FRLWAEZYGCOJMD-BZSNNMDCSA-N 2 0 315.461 2.975 20 0 DFADRP CCC1(CC)[C@H]([NH2+]CC2(SC)CC[NH+](C)CC2)C[C@@H]1OC ZINC000353609837 428621196 /nfs/dbraw/zinc/62/11/96/428621196.db2.gz KRODFLVRIWIVND-CABCVRRESA-N 2 0 314.539 2.997 20 0 DFADRP CC(C)c1nc(CN2CCC3(C[C@H]3C[N@H+](C)C3CC3)CC2)no1 ZINC000362105401 428621788 /nfs/dbraw/zinc/62/17/88/428621788.db2.gz HJQZJZHFOCLUFQ-AWEZNQCLSA-N 2 0 318.465 2.889 20 0 DFADRP CC[NH2+]Cc1cccc(NC(=O)N(C)C[C@H]2CCC[N@@H+]2CC)c1 ZINC000415910387 428625281 /nfs/dbraw/zinc/62/52/81/428625281.db2.gz VSWOHJSLCLVSJG-QGZVFWFLSA-N 2 0 318.465 2.744 20 0 DFADRP C[N@@H+]1CC[C@H]([NH2+]Cc2ccccc2-n2cccn2)[C@@H]2CCC[C@H]21 ZINC000353622605 428625965 /nfs/dbraw/zinc/62/59/65/428625965.db2.gz OLUSSWDDFOWAGK-JENIJYKNSA-N 2 0 310.445 2.835 20 0 DFADRP CCC(CC)[C@H](CNC(=O)Nc1cccc(C[NH2+]C)c1)[NH+](C)C ZINC000415918383 428627166 /nfs/dbraw/zinc/62/71/66/428627166.db2.gz LGWJYWISSNAAHL-KRWDZBQOSA-N 2 0 320.481 2.894 20 0 DFADRP COC[C@H](Cc1ccccc1)[NH2+]CC1(SC)CC[NH+](C)CC1 ZINC000353623261 428628536 /nfs/dbraw/zinc/62/85/36/428628536.db2.gz BAVDFWMSPLRSCD-KRWDZBQOSA-N 2 0 322.518 2.661 20 0 DFADRP C[NH2+]Cc1cccc(NC(=O)NC[C@H](C)[N@@H+]2CCC[C@H](C)C2)c1 ZINC000415928403 428628724 /nfs/dbraw/zinc/62/87/24/428628724.db2.gz HKVHFENYGTZZJG-GJZGRUSLSA-N 2 0 318.465 2.648 20 0 DFADRP CCC[NH+]1CCC(NC(=O)Nc2ccccc2C[NH2+]CC)CC1 ZINC000415960271 428634808 /nfs/dbraw/zinc/63/48/08/428634808.db2.gz UVKKVBDVZCRYJA-UHFFFAOYSA-N 2 0 318.465 2.792 20 0 DFADRP CSC1(C[NH2+][C@@H]2[C@@H]3CCCO[C@H]3C2(C)C)CC[NH+](C)CC1 ZINC000353633947 428630074 /nfs/dbraw/zinc/63/00/74/428630074.db2.gz YFYABMSWGVRTOM-RRFJBIMHSA-N 2 0 312.523 2.607 20 0 DFADRP CC[NH2+]Cc1cccc(NC(=O)N[C@@H](C)c2nccn2CC)c1 ZINC000415933845 428631681 /nfs/dbraw/zinc/63/16/81/428631681.db2.gz OVRBWWLXXSQHGD-ZDUSSCGKSA-N 2 0 315.421 2.895 20 0 DFADRP COCCC[NH+]1CCC([NH2+][C@H]2CCc3c2cccc3OC)CC1 ZINC000360821945 274019848 /nfs/dbraw/zinc/01/98/48/274019848.db2.gz NTKDSGBMZVLEDB-SFHVURJKSA-N 2 0 318.461 2.773 20 0 DFADRP COCC[C@H](COC)[NH2+]C1CC[NH+]([C@@H]2CCC[C@H](C)C2)CC1 ZINC000353649778 428639189 /nfs/dbraw/zinc/63/91/89/428639189.db2.gz ORFOPARTUMYOND-CGTJXYLNSA-N 2 0 312.498 2.671 20 0 DFADRP CCCC[N@H+](C)C[C@H](C)NC(=O)Nc1ccc(C[NH2+]C)cc1 ZINC000415978751 428640547 /nfs/dbraw/zinc/64/05/47/428640547.db2.gz CKVHGISUBHMLKC-AWEZNQCLSA-N 2 0 306.454 2.648 20 0 DFADRP CCC[N@H+](CC)C[C@H](C)NC(=O)Nc1ccc(C[NH2+]C)cc1 ZINC000415987031 428642334 /nfs/dbraw/zinc/64/23/34/428642334.db2.gz WDCIKDQWDFXRBJ-AWEZNQCLSA-N 2 0 306.454 2.648 20 0 DFADRP CC[NH2+]Cc1ccccc1NC(=O)N[C@@H]1C[N@@H+](C(C)C)C[C@H]1C ZINC000415952856 428635006 /nfs/dbraw/zinc/63/50/06/428635006.db2.gz KNGKBODDJGARQY-RHSMWYFYSA-N 2 0 318.465 2.646 20 0 DFADRP C[C@H]([NH2+][C@H]1CCn2ccnc2C1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000348184471 428646326 /nfs/dbraw/zinc/64/63/26/428646326.db2.gz GSGRSMYEERAZHC-WDSOQIARSA-N 2 0 324.472 2.698 20 0 DFADRP C[NH2+]Cc1ccc(NC(=O)NCC[N@H+](C)C2CCCCC2)cc1 ZINC000416006339 428646258 /nfs/dbraw/zinc/64/62/58/428646258.db2.gz JQJUZIBORGIMFJ-UHFFFAOYSA-N 2 0 318.465 2.792 20 0 DFADRP CC(C)[N@@H+]1CCCN(C(=O)C[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC000416146929 428676478 /nfs/dbraw/zinc/67/64/78/428676478.db2.gz QJCXGZSPQLEFBJ-GOSISDBHSA-N 2 0 317.477 2.622 20 0 DFADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]C[C@@H]1CCN(c2ccccc2)C1 ZINC000152527721 274339836 /nfs/dbraw/zinc/33/98/36/274339836.db2.gz AOGDSUXIGWAICU-VXNCWWDNSA-N 2 0 301.478 2.831 20 0 DFADRP C[C@@H]1CN(c2cccc3cnccc32)CC[N@@H+]1CC1CC[NH2+]CC1 ZINC000261831596 274365268 /nfs/dbraw/zinc/36/52/68/274365268.db2.gz JCTHXFYZYLGJTN-MRXNPFEDSA-N 2 0 324.472 2.745 20 0 DFADRP COCCC[NH+]1CCC([NH2+]C[C@@H]2C[C@@H]2c2ccccc2)CC1 ZINC000348239509 428675484 /nfs/dbraw/zinc/67/54/84/428675484.db2.gz GLCHDZVARFCFNX-PKOBYXMFSA-N 2 0 302.462 2.881 20 0 DFADRP CCO[C@@H]1C[C@H]([NH2+]C2CC[NH+](CC(C)C)CC2)[C@H]1SC ZINC000362307348 428696633 /nfs/dbraw/zinc/69/66/33/428696633.db2.gz YUEXNAZHVJKPHS-ARFHVFGLSA-N 2 0 300.512 2.605 20 0 DFADRP CC[NH+](CC)C[C@H]1CCN(C(=O)[C@H](C(C)C)[NH+]2CCCCC2)C1 ZINC000362312197 428698133 /nfs/dbraw/zinc/69/81/33/428698133.db2.gz HZRDIXVNUPZHKD-MSOLQXFVSA-N 2 0 323.525 2.687 20 0 DFADRP Cc1cc(F)ccc1[C@H](O)C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000374564668 428698080 /nfs/dbraw/zinc/69/80/80/428698080.db2.gz WFJYNUNHNFBENB-BMGDILEWSA-N 2 0 306.425 2.584 20 0 DFADRP CC[C@@H]1C[N@H+](CC)CCN1C(=O)C[C@H](c1ccccc1)[NH+](C)C ZINC000416242213 428698258 /nfs/dbraw/zinc/69/82/58/428698258.db2.gz FHXIWBNUZWEZKP-QZTJIDSGSA-N 2 0 317.477 2.622 20 0 DFADRP CC(C)[C@@H](CN(C)Cc1ccccc1)[NH2+]CCc1cnn(C)c1 ZINC000348301029 428700914 /nfs/dbraw/zinc/70/09/14/428700914.db2.gz FXTYGNJGXGAGJE-LJQANCHMSA-N 2 0 314.477 2.709 20 0 DFADRP C[NH+](C)[C@@H](CC(=O)NCC[C@@H]1CCC[N@H+](C)C1)c1ccccc1 ZINC000416253136 428702339 /nfs/dbraw/zinc/70/23/39/428702339.db2.gz QNPAYKVNJTYJBB-WMZOPIPTSA-N 2 0 317.477 2.528 20 0 DFADRP Cn1cc(-c2ccc(C[NH2+][C@@H]3CC[N@@H+]4CCC[C@H]4C3)s2)cn1 ZINC000374587194 428705845 /nfs/dbraw/zinc/70/58/45/428705845.db2.gz RTPWOCRCBOVYKD-CABCVRRESA-N 2 0 316.474 2.865 20 0 DFADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]CCC2(F)CCC2)[C@@H](C)C1 ZINC000348326287 428707514 /nfs/dbraw/zinc/70/75/14/428707514.db2.gz MMQFGGQWEZKCEJ-HOTGVXAUSA-N 2 0 300.462 2.995 20 0 DFADRP Cc1cccc(CN2C[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)n1 ZINC000348331740 428709782 /nfs/dbraw/zinc/70/97/82/428709782.db2.gz RWEYZLZQBLAYMW-KDURUIRLSA-N 2 0 307.441 2.954 20 0 DFADRP COCCc1nc(C)c([C@H](C)N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)s1 ZINC000362343962 428713143 /nfs/dbraw/zinc/71/31/43/428713143.db2.gz XFCXPTFHPUJMNS-NWANDNLSSA-N 2 0 323.506 2.918 20 0 DFADRP Cc1cc(N2CCC([NH2+][C@@H]3CCC[C@H]4C[C@H]43)CC2)nc(C)n1 ZINC000374618007 428714773 /nfs/dbraw/zinc/71/47/73/428714773.db2.gz KBLMICQQFMZPTI-USXIJHARSA-N 2 0 300.450 2.840 20 0 DFADRP C[C@H]1CCCC[N@@H+]1CCCNC(=O)C1C[C@H]2CCC[C@@H](C1)C2[NH3+] ZINC000353795452 428720286 /nfs/dbraw/zinc/72/02/86/428720286.db2.gz MCUAIRWDRHKWHS-HYLCPLCXSA-N 2 0 321.509 2.521 20 0 DFADRP C[C@@H]1CCC[N@H+](CCCC[NH2+][C@@H]2CCCc3nn(C)cc32)C1 ZINC000358913647 428729260 /nfs/dbraw/zinc/72/92/60/428729260.db2.gz ITHXXKCDUWAVNH-NVXWUHKLSA-N 2 0 304.482 2.899 20 0 DFADRP C[C@H]1C[C@H]([NH2+]Cc2c[nH]nc2-c2ccc(F)cc2)CC[N@@H+]1C ZINC000344636685 428686114 /nfs/dbraw/zinc/68/61/14/428686114.db2.gz VKRRWTHBCBXSEN-BLLLJJGKSA-N 2 0 302.397 2.788 20 0 DFADRP CSCC[C@H](CO)[NH2+][C@@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000358826718 428694115 /nfs/dbraw/zinc/69/41/15/428694115.db2.gz MMGJWJBILBYTJG-KBAYOESNSA-N 2 0 322.518 2.743 20 0 DFADRP CC(C)[N@@H+](C)C[C@H](C)NC(=O)C[C@@H](c1ccccc1)[NH+](C)C ZINC000416232391 428694639 /nfs/dbraw/zinc/69/46/39/428694639.db2.gz FOAJIJHLEJJFCX-RDJZCZTQSA-N 2 0 305.466 2.524 20 0 DFADRP C[C@H]1CCC[C@@H]([NH+]2CCC([NH2+]CCC3(O)CCOCC3)CC2)C1 ZINC000353866530 428753254 /nfs/dbraw/zinc/75/32/54/428753254.db2.gz MWCZHRARMQOSHP-FUHWJXTLSA-N 2 0 324.509 2.551 20 0 DFADRP C[C@@H]1CCC[C@@H]([NH+]2CCC([NH2+]CCC3(O)CCOCC3)CC2)C1 ZINC000353866535 428754655 /nfs/dbraw/zinc/75/46/55/428754655.db2.gz MWCZHRARMQOSHP-SJLPKXTDSA-N 2 0 324.509 2.551 20 0 DFADRP CSC1(C[N@H+](C)C[C@H]2CCCN(C)[C@H]2c2ccnn2C)CC1 ZINC000348489870 428759175 /nfs/dbraw/zinc/75/91/75/428759175.db2.gz HFLRKUHGBMXYSH-GDBMZVCRSA-N 2 0 322.522 2.630 20 0 DFADRP CO[C@@H]1CCC[NH+](CC[C@@H](C)CC[N@H+]2CCC[C@H](OC)C2)C1 ZINC000411232863 428765598 /nfs/dbraw/zinc/76/55/98/428765598.db2.gz UGAAYBXZWGARPA-NNZMDNLPSA-N 2 0 312.498 2.624 20 0 DFADRP C[N@H+]1CC=C(C[NH2+]Cc2ccc(OC[C@H]3CCCO3)cc2)CC1 ZINC000345145056 428771463 /nfs/dbraw/zinc/77/14/63/428771463.db2.gz RTOOZVOUKRXDCF-LJQANCHMSA-N 2 0 316.445 2.596 20 0 DFADRP COC(=O)C(C)(C)CC[NH2+]C[C@H](C(C)C)[NH+]1CCC(C)CC1 ZINC000353911917 428774217 /nfs/dbraw/zinc/77/42/17/428774217.db2.gz HGNDPGDLLJEQLL-MRXNPFEDSA-N 2 0 312.498 2.922 20 0 DFADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]CCc2cccc(C)n2)[C@@H](C)C1 ZINC000359018766 428775614 /nfs/dbraw/zinc/77/56/14/428775614.db2.gz YZPOWTDHMRXMJV-LPHOPBHVSA-N 2 0 319.493 2.659 20 0 DFADRP CCc1cccc(F)c1C[NH2+]C[C@@H](C)N1CC[NH+](CC)CC1 ZINC000353918874 428777307 /nfs/dbraw/zinc/77/73/07/428777307.db2.gz UVASWSFAYCLEJP-OAHLLOKOSA-N 2 0 307.457 2.504 20 0 DFADRP CC(C)[C@H](C[NH2+][C@H](C)C1C(C)(C)C1(C)C)N1CC[NH+](C)CC1 ZINC000353946823 428789592 /nfs/dbraw/zinc/78/95/92/428789592.db2.gz VTNODXGODUNCFY-CVEARBPZSA-N 2 0 309.542 2.919 20 0 DFADRP Cc1cc(CC[NH2+]C2CC[NH+](CCc3ccccc3)CC2)on1 ZINC000353947050 428789936 /nfs/dbraw/zinc/78/99/36/428789936.db2.gz KWOJHVQMYFRUMP-UHFFFAOYSA-N 2 0 313.445 2.822 20 0 DFADRP C[C@H]([NH2+][C@H](CO)CC(F)F)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000348443525 428745260 /nfs/dbraw/zinc/74/52/60/428745260.db2.gz XNUXENYAVZGKSU-IMJJTQAJSA-N 2 0 312.404 2.503 20 0 DFADRP CC(C)OC(=O)CC[N@H+](C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000374785276 428750004 /nfs/dbraw/zinc/75/00/04/428750004.db2.gz UUDLJRXVKOFHEH-UHFFFAOYSA-N 2 0 319.449 2.572 20 0 DFADRP COCCOCC[N@H+](C)Cc1cccc(C[NH+]2CCCCC2)c1 ZINC000411738364 428849382 /nfs/dbraw/zinc/84/93/82/428849382.db2.gz TVGBACYUJHBKCO-UHFFFAOYSA-N 2 0 320.477 2.767 20 0 DFADRP CC[C@@H]1CCCC[C@H]1[NH2+]CC(=O)NC1CC[NH+](C(C)C)CC1 ZINC000411553760 428815509 /nfs/dbraw/zinc/81/55/09/428815509.db2.gz SAHGVXOHHBFSNB-NVXWUHKLSA-N 2 0 309.498 2.534 20 0 DFADRP CC[NH+](CC)[C@@H](C)CNC1CC[NH+](CCC(F)(F)F)CC1 ZINC000359115236 428821816 /nfs/dbraw/zinc/82/18/16/428821816.db2.gz MBXVUTZWVKRMKV-ZDUSSCGKSA-N 2 0 309.420 2.723 20 0 DFADRP CC(=O)N1CCC([NH2+]C2CC[NH+]([C@@H]3CCCC[C@H]3C)CC2)CC1 ZINC000359116729 428824892 /nfs/dbraw/zinc/82/48/92/428824892.db2.gz QRWDKFSYUNGOOF-DNVCBOLYSA-N 2 0 321.509 2.630 20 0 DFADRP CC[NH+]1CCC(NC(=O)C[NH2+][C@@H]2CCC[C@H]2CCC(C)C)CC1 ZINC000411607768 428825375 /nfs/dbraw/zinc/82/53/75/428825375.db2.gz KERZYBBYOCNQPA-FUHWJXTLSA-N 2 0 323.525 2.781 20 0 DFADRP c1cc(C[N@@H+]2CC[C@@H](Oc3ccncc3)C2)c2c(c1)OCCO2 ZINC000354034079 428834080 /nfs/dbraw/zinc/83/40/80/428834080.db2.gz OYTDAMQQMLXTNL-MRXNPFEDSA-N 2 0 312.369 2.506 20 0 DFADRP Fc1ccc([C@H]2CN(CCC3CC[NH2+]CC3)CCO2)cc1F ZINC000359199512 428861912 /nfs/dbraw/zinc/86/19/12/428861912.db2.gz XGYBGWOIPADXDV-QGZVFWFLSA-N 2 0 310.388 2.728 20 0 DFADRP CC[NH+](CC)CCO[C@@H]1CC[N@H+](Cc2ccc3c(c2)CCO3)C1 ZINC000354101900 428862369 /nfs/dbraw/zinc/86/23/69/428862369.db2.gz XCYBLABIVZTBBG-GOSISDBHSA-N 2 0 318.461 2.554 20 0 DFADRP C(C[NH+]1CCC[C@@H]1[C@H]1CCCO1)C[N@@H+]1CCC[C@H]1[C@@H]1CCCO1 ZINC000375373618 428866723 /nfs/dbraw/zinc/86/67/23/428866723.db2.gz NZJVEPPWUPURMZ-QGFMHUBQSA-N 2 0 322.493 2.663 20 0 DFADRP c1ccc(COC[C@@H]2CC[N@@H+](CCC3CC[NH2+]CC3)C2)cc1 ZINC000359222941 428871465 /nfs/dbraw/zinc/87/14/65/428871465.db2.gz RFEYACHQHHSYSY-LJQANCHMSA-N 2 0 302.462 2.915 20 0 DFADRP Cc1cc(C[N@@H+]2CCC[C@H](c3ncc4n3CCCC4)C2)n(C)n1 ZINC000418153136 428890197 /nfs/dbraw/zinc/89/01/97/428890197.db2.gz UUMWGXKVXCNEHX-HNNXBMFYSA-N 2 0 313.449 2.641 20 0 DFADRP Cc1cc(C[N@@H+]2CCC[C@@H](c3ncc4n3CCCC4)C2)n(C)n1 ZINC000418153140 428891060 /nfs/dbraw/zinc/89/10/60/428891060.db2.gz UUMWGXKVXCNEHX-OAHLLOKOSA-N 2 0 313.449 2.641 20 0 DFADRP C[C@H]1OCC[C@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000354174346 428899607 /nfs/dbraw/zinc/89/96/07/428899607.db2.gz XCNQNKFNMJDUGX-JUFRUHRKSA-N 2 0 300.446 2.949 20 0 DFADRP Cc1ccccc1NC(=O)C[C@@H](C)[NH2+]CCC1=CC[NH2+]CC1 ZINC000423551765 428971253 /nfs/dbraw/zinc/97/12/53/428971253.db2.gz JMNOHOYGEMHHME-OAHLLOKOSA-N 2 0 301.434 2.612 20 0 DFADRP CC(C)c1nccn1C[C@H]1CCC[N@@H+]1CCC[NH+]1CCCC1 ZINC000363478684 428926137 /nfs/dbraw/zinc/92/61/37/428926137.db2.gz NAKKQDGGAQKYST-QGZVFWFLSA-N 2 0 304.482 2.957 20 0 DFADRP CCn1nc(C)c(C[N@@H+]2CC[C@H](C3CC[NH+](C)CC3)C2)c1C ZINC000349132140 428927503 /nfs/dbraw/zinc/92/75/03/428927503.db2.gz QVSYNGBFTCXZPU-KRWDZBQOSA-N 2 0 304.482 2.684 20 0 DFADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H](c1ccco1)[NH+](CC)CC ZINC000349142042 428927784 /nfs/dbraw/zinc/92/77/84/428927784.db2.gz HBOJKJYFAWNAJN-CVEARBPZSA-N 2 0 321.465 2.653 20 0 DFADRP COc1ccc(O[C@H](C)C[NH2+][C@@H]2CC[N@H+](C)[C@@H]3CCC[C@H]32)cc1 ZINC000375782952 428971458 /nfs/dbraw/zinc/97/14/58/428971458.db2.gz PEJUYUXLBGTHPB-ZWQIFLOQSA-N 2 0 318.461 2.925 20 0 DFADRP C[C@@H]1C[N@H+](C[C@H]2CCCO2)CC[C@H]1[NH2+]CCCC(F)(F)F ZINC000363521079 428934720 /nfs/dbraw/zinc/93/47/20/428934720.db2.gz AHVWNDPNYZYWIL-MGPQQGTHSA-N 2 0 308.388 2.808 20 0 DFADRP CC(C)COCCC[NH2+][C@@H]1CC[N@H+](C[C@@H]2CCCO2)C[C@H]1C ZINC000363567345 428944353 /nfs/dbraw/zinc/94/43/53/428944353.db2.gz YSISQPZJADWCQE-FGTMMUONSA-N 2 0 312.498 2.528 20 0 DFADRP CC(C)[C@H]([NH2+]C[C@@H]1CCCN1C)c1ccc2[nH]c(=O)oc2c1 ZINC000359375187 428944592 /nfs/dbraw/zinc/94/45/92/428944592.db2.gz SDFYJQPJNPJRKE-BBRMVZONSA-N 2 0 303.406 2.914 20 0 DFADRP Cc1cc(C)nc(C2CC[NH+](CC[C@H]3CCC[N@H+]3C)CC2)n1 ZINC000375700431 428944981 /nfs/dbraw/zinc/94/49/81/428944981.db2.gz FULBTNDPKHMCJU-QGZVFWFLSA-N 2 0 302.466 2.757 20 0 DFADRP FCCC[C@@H]1CCC[C@@H]1[NH2+]C[C@H]1CCC[C@H]1N1CCOCC1 ZINC000375703526 428949036 /nfs/dbraw/zinc/94/90/36/428949036.db2.gz HOJLPNXXIRHPHR-XWTMOSNGSA-N 2 0 312.473 2.995 20 0 DFADRP C[C@@H]1C[N@@H+](CCC2CC[NH+](CCCCF)CC2)C[C@H](C)O1 ZINC000375715083 428950232 /nfs/dbraw/zinc/95/02/32/428950232.db2.gz AOWIUBVPIIBYNI-IYBDPMFKSA-N 2 0 300.462 2.947 20 0 DFADRP C[C@H](C[NH2+][C@@H]1CCN(C2CC[NH+](C)CC2)C1)c1ccccc1 ZINC000375717146 428950890 /nfs/dbraw/zinc/95/08/90/428950890.db2.gz FLCYQZXWTZMUFL-SJLPKXTDSA-N 2 0 301.478 2.548 20 0 DFADRP C[C@@H]1CCC[C@@H](CC[NH+]2CCN([C@@H]3CCC[N@H+](C)C3)CC2)C1 ZINC000363615487 428954996 /nfs/dbraw/zinc/95/49/96/428954996.db2.gz JLBILFIDQWDEKV-CEXWTWQISA-N 2 0 307.526 2.915 20 0 DFADRP CC(C)C(C[NH2+]C1C[C@H]2CC[C@@H](C1)N2CC(=O)N(C)C)C(C)C ZINC000375747307 428961140 /nfs/dbraw/zinc/96/11/40/428961140.db2.gz UPAJASYXJNENOW-ALOPSCKCSA-N 2 0 323.525 2.588 20 0 DFADRP Cc1cnn(C)c1C[NH2+][C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000375752908 428961425 /nfs/dbraw/zinc/96/14/25/428961425.db2.gz HBJMWROPXOPLME-IPMKNSEASA-N 2 0 324.472 2.729 20 0 DFADRP Cc1ccc(C[N@@H+]2CCN(C3CC[NH+](C)CC3)[C@H](C)C2)cc1C ZINC000349321417 428962831 /nfs/dbraw/zinc/96/28/31/428962831.db2.gz XPFBDXKDOLXMBD-GOSISDBHSA-N 2 0 315.505 2.904 20 0 DFADRP C[C@@H]([NH2+][C@@H](C)CCN1CC[NH+](C)CC1)c1cc2c(s1)CCC2 ZINC000349344357 428965803 /nfs/dbraw/zinc/96/58/03/428965803.db2.gz SHISTPXAPCNWGH-LSDHHAIUSA-N 2 0 321.534 2.913 20 0 DFADRP C[N@@H+]1CCC[C@H]1CCN1CCCC[C@H]1COC(=O)N1CCCC1 ZINC000375767883 428965821 /nfs/dbraw/zinc/96/58/21/428965821.db2.gz KGFDCCRHBYXEJK-IRXDYDNUSA-N 2 0 323.481 2.558 20 0 DFADRP COCC[C@H](Cc1cccc(F)c1)[NH2+]CCC1=CC[NH2+]CC1 ZINC000423546667 428968354 /nfs/dbraw/zinc/96/83/54/428968354.db2.gz ZFMPBUIBOSTUJV-GOSISDBHSA-N 2 0 306.425 2.673 20 0 DFADRP C[C@H](Cc1ccccc1)[NH+]1CCC(N[C@@H]2CCCC[NH2+]C2)CC1 ZINC000423544344 428968838 /nfs/dbraw/zinc/96/88/38/428968838.db2.gz CNZACXKUBKZDQY-YLJYHZDGSA-N 2 0 315.505 2.814 20 0 DFADRP CC[N@@H+]1CC[C@@H](N(C)C(=O)NCC2([NH3+])CCCCCC2)C[C@H]1C ZINC000418287863 428912046 /nfs/dbraw/zinc/91/20/46/428912046.db2.gz VFXDZHVTSPRXNZ-HZPDHXFCSA-N 2 0 324.513 2.552 20 0 DFADRP Cc1cc(C[NH+](C)C)cc(NC(=O)[C@@H]2CCCC[C@]2(C)[NH3+])c1 ZINC000423779665 429015871 /nfs/dbraw/zinc/01/58/71/429015871.db2.gz FMLSJBWHMWBAEL-WMZOPIPTSA-N 2 0 303.450 2.903 20 0 DFADRP CCO[C@@H]1COCC[C@@H]1[NH2+]C1CC[NH+]([C@@H]2CCC[C@@H](C)C2)CC1 ZINC000354984683 429023108 /nfs/dbraw/zinc/02/31/08/429023108.db2.gz QCOOACCCTZHYQD-OQIJWPOYSA-N 2 0 324.509 2.813 20 0 DFADRP CC(C)CC[N@@H+]1Cc2cccc(NC(=O)[C@@H](C)C3C[NH2+]C3)c2C1 ZINC000375963786 429027358 /nfs/dbraw/zinc/02/73/58/429027358.db2.gz LHLHIYFQXPDSAR-AWEZNQCLSA-N 2 0 315.461 2.842 20 0 DFADRP C/C=C\C[C@H](CO)[NH2+][C@@H](C)c1cccc(OCC[NH+](C)C)c1 ZINC000349384255 428979528 /nfs/dbraw/zinc/97/95/28/428979528.db2.gz WGVLVCPONYWKJS-HXHJPBPVSA-N 2 0 306.450 2.605 20 0 DFADRP C[C@@H]1C[C@@H]([NH2+]CC2(CO)CC(c3ccccc3)C2)CC[N@@H+]1C ZINC000433086004 428992096 /nfs/dbraw/zinc/99/20/96/428992096.db2.gz YGLACKUWKDMPPC-IZIZEDOESA-N 2 0 302.462 2.615 20 0 DFADRP COc1ccc(OCCC[NH2+][C@@H]2CC[N@H+](C)[C@H]3CCC[C@@H]32)cc1 ZINC000375849863 428997303 /nfs/dbraw/zinc/99/73/03/428997303.db2.gz IHBMPLOKAPNBRP-QRVBRYPASA-N 2 0 318.461 2.927 20 0 DFADRP C[C@@H]1CC(C)(C)CC[C@@H]1NC(=O)CCC[NH+]1CCC([NH3+])CC1 ZINC000433174609 429003610 /nfs/dbraw/zinc/00/36/10/429003610.db2.gz NLLIXAZESXGHDY-ZBFHGGJFSA-N 2 0 309.498 2.521 20 0 DFADRP C[C@@H]1CC[C@H](C)[N@H+]1[C@H]1CCCN(C(=O)c2ccc(C[NH3+])cc2)C1 ZINC000423722920 429004255 /nfs/dbraw/zinc/00/42/55/429004255.db2.gz DXACQLLVYOHTDI-DAYGRLMNSA-N 2 0 315.461 2.623 20 0 DFADRP CC1CC[NH+](CCCC[NH2+][C@@H]2CC[N@H+](C)[C@H]3CCC[C@@H]32)CC1 ZINC000375892132 429008462 /nfs/dbraw/zinc/00/84/62/429008462.db2.gz XVIGEDBYFQCOAD-QRVBRYPASA-N 3 0 307.526 2.961 20 0 DFADRP C[NH+](C)CC1CCC(NC(=O)[C@H]([NH3+])CC2CCCCC2)CC1 ZINC000423752276 429010015 /nfs/dbraw/zinc/01/00/15/429010015.db2.gz VXYKFTYJHAACIJ-OFLPRAFFSA-N 2 0 309.498 2.521 20 0 DFADRP CCc1ccc([C@H](O)C[NH2+][C@@H]2CC[N@H+](C)[C@H]3CCC[C@H]32)cc1 ZINC000375897131 429010553 /nfs/dbraw/zinc/01/05/53/429010553.db2.gz DJEKRPFJFNDABN-ZSYWTGECSA-N 2 0 302.462 2.745 20 0 DFADRP C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)[C@@H](C)[C@@H]([NH3+])c1ccccc1 ZINC000423761367 429011173 /nfs/dbraw/zinc/01/11/73/429011173.db2.gz OLUPTXUQRQLIKL-HDMKZQKVSA-N 2 0 317.477 2.511 20 0 DFADRP C[NH+](C)CCN(CC1CCCCC1)C(=O)C[C@@H]1CCC[NH2+]CC1 ZINC000423762450 429011900 /nfs/dbraw/zinc/01/19/00/429011900.db2.gz QHZMYRRVCQEIEB-QGZVFWFLSA-N 2 0 323.525 2.737 20 0 DFADRP CC(C)[NH+]1CCN([C@H]2CC[N@@H+]([C@@H](C)c3ccc(F)cc3)C2)CC1 ZINC000375903959 429013317 /nfs/dbraw/zinc/01/33/17/429013317.db2.gz IVUAGVPDSFWFIT-LPHOPBHVSA-N 2 0 319.468 2.987 20 0 DFADRP CN(CCC[NH+]1CCCC1)C(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC000412312759 429014279 /nfs/dbraw/zinc/01/42/79/429014279.db2.gz ICFAVHCYZFYTDC-GOSISDBHSA-N 2 0 321.509 2.728 20 0 DFADRP Cc1c([C@H](C)[NH2+]C[C@H]2CCC[C@@H]([NH3+])C2)nnn1-c1ccccc1 ZINC000423456807 429090968 /nfs/dbraw/zinc/09/09/68/429090968.db2.gz HGLNSQQGTZQWQU-CWRNSKLLSA-N 2 0 313.449 2.744 20 0 DFADRP CC[C@H]([NH3+])CN[C@@H]1CC[N@H+](Cc2ccccc2)[C@H]2CCC[C@H]21 ZINC000423466284 429092272 /nfs/dbraw/zinc/09/22/72/429092272.db2.gz NHZWTDWIAGHJHK-OKYOBFRVSA-N 2 0 301.478 2.757 20 0 DFADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2cc(C)cc(N)c2)[C@H](C)C1 ZINC000423473374 429092555 /nfs/dbraw/zinc/09/25/55/429092555.db2.gz HCDCIPPECLXVBS-APWZRJJASA-N 2 0 319.493 2.804 20 0 DFADRP C[C@@H]([NH2+]C[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1)c1cnn(C)c1 ZINC000423480857 429093812 /nfs/dbraw/zinc/09/38/12/429093812.db2.gz WDNSDTRQVMKUFD-QIIPPGSGSA-N 2 0 316.424 2.603 20 0 DFADRP COCCc1nc(C)c([C@H](C)[NH2+]C[C@@H]2CCC[C@H]([NH3+])C2)s1 ZINC000423477998 429094918 /nfs/dbraw/zinc/09/49/18/429094918.db2.gz SUUMXGIFCQDZKB-YUTCNCBUSA-N 2 0 311.495 2.809 20 0 DFADRP Cc1cc(N)cc(C[NH2+][C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)c1 ZINC000423481250 429096272 /nfs/dbraw/zinc/09/62/72/429096272.db2.gz PZTXFLIEUHWGMK-AZUAARDMSA-N 2 0 323.440 2.923 20 0 DFADRP COc1ccc([C@H]([NH2+]CC2(O)CC[NH+](C)CC2)C(C)C)c(F)c1 ZINC000421831013 429036407 /nfs/dbraw/zinc/03/64/07/429036407.db2.gz KTZDGFYYONHEIM-QGZVFWFLSA-N 2 0 324.440 2.578 20 0 DFADRP COC1([C@@H](C)[NH2+]C2CC[NH+](C[C@H]3CCOC3)CC2)CCCCC1 ZINC000421829837 429036752 /nfs/dbraw/zinc/03/67/52/429036752.db2.gz JADDEDBZXHWRGM-IAGOWNOFSA-N 2 0 324.509 2.815 20 0 DFADRP CCO[C@@H](CC[NH+](C)C)C[NH2+][C@@H](C)C1(OC)CCCCC1 ZINC000421828236 429037411 /nfs/dbraw/zinc/03/74/11/429037411.db2.gz BSYKVGOJBBJLEN-HOTGVXAUSA-N 2 0 300.487 2.671 20 0 DFADRP Cn1ccnc1[C@H]([NH2+]CCC[C@H]1CCC[NH2+]1)c1cccc(F)c1 ZINC000423481275 429096632 /nfs/dbraw/zinc/09/66/32/429096632.db2.gz NYRFBEPOHHDXRA-IAGOWNOFSA-N 2 0 316.424 2.770 20 0 DFADRP CO[C@@H]1CCCC[C@H]1[NH2+][C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422969991 429052446 /nfs/dbraw/zinc/05/24/46/429052446.db2.gz VOILQYITEMMRJQ-UKBAYJJMSA-N 2 0 316.445 2.790 20 0 DFADRP c1ccc2nc(NCC[NH2+][C@@H]3CCC[C@@H]3[C@@H]3CCC[NH2+]3)ccc2c1 ZINC000422923504 429052831 /nfs/dbraw/zinc/05/28/31/429052831.db2.gz WJMGHMKHKZPIGZ-UHOSZYNNSA-N 2 0 324.472 3.157 20 0 DFADRP CC[C@@H]([NH3+])CN[C@@H](C)c1ccc(OC)c(Br)c1 ZINC000423482206 429096813 /nfs/dbraw/zinc/09/68/13/429096813.db2.gz XHVACXGLADYJKB-GXSJLCMTSA-N 2 0 301.228 2.846 20 0 DFADRP C[NH2+]C[C@H](C)CN[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000423281623 429055310 /nfs/dbraw/zinc/05/53/10/429055310.db2.gz VVUIAZLDVQOQFQ-DSLXNQLJSA-N 2 0 301.478 2.627 20 0 DFADRP C[N@@H+]1CC[C@H](N[C@@H]2CCCC[C@H]2C[NH3+])C[C@H]1c1ccccc1 ZINC000423276845 429056545 /nfs/dbraw/zinc/05/65/45/429056545.db2.gz NKAKYCXZVMLDLW-OKYOBFRVSA-N 2 0 301.478 2.929 20 0 DFADRP CC(=O)NCCc1ccc([C@H](C)[NH2+]CCC[C@@H]2CCC[NH2+]2)cc1 ZINC000423483463 429096911 /nfs/dbraw/zinc/09/69/11/429096911.db2.gz QAMWCSIAHZQEKA-HNAYVOBHSA-N 2 0 317.477 2.548 20 0 DFADRP CC(C)([NH3+])CN[C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000423289194 429058834 /nfs/dbraw/zinc/05/88/34/429058834.db2.gz WLCGUOYDNOWAME-KZNAEPCWSA-N 3 0 301.478 2.614 20 0 DFADRP CCC([NH3+])(CC)CN[C@@H](c1ccc(OC)cc1)[C@@H]1CCC[NH2+]1 ZINC000423289258 429058928 /nfs/dbraw/zinc/05/89/28/429058928.db2.gz ARXRJIXSJWHYMD-IRXDYDNUSA-N 2 0 305.466 2.595 20 0 DFADRP C[C@@H](C[NH3+])C[NH2+][C@@H]1CCCOc2ccc(Br)cc21 ZINC000423299372 429059594 /nfs/dbraw/zinc/05/95/94/429059594.db2.gz PYWQVTKBPMMPBY-GXFFZTMASA-N 2 0 313.239 2.847 20 0 DFADRP C[N@H+](CCOCC(F)F)C1CCN(CCC(F)(F)F)CC1 ZINC000452117184 429060029 /nfs/dbraw/zinc/06/00/29/429060029.db2.gz NCNILUNZMSITJA-UHFFFAOYSA-N 2 0 318.330 2.617 20 0 DFADRP C[C@H](C[NH3+])C[NH2+][C@H]1CCCOc2cc(Br)ccc21 ZINC000423301211 429060684 /nfs/dbraw/zinc/06/06/84/429060684.db2.gz SUCNHBMOJLSOAX-MFKMUULPSA-N 2 0 313.239 2.847 20 0 DFADRP CCCC[C@@H](C[NH3+])N[C@H](C)c1cc(OC)c(OC)c(OC)c1 ZINC000423301222 429060781 /nfs/dbraw/zinc/06/07/81/429060781.db2.gz SWEVGWDZMLMQMK-OCCSQVGLSA-N 2 0 310.438 2.881 20 0 DFADRP CC(C)(C)[NH+]1CCC(NC(=O)C2C[C@H]3CCC[C@@H](C2)C3[NH3+])CC1 ZINC000376122261 429062585 /nfs/dbraw/zinc/06/25/85/429062585.db2.gz GPHRBTLMOTZVLV-KWOWKCNFSA-N 2 0 321.509 2.519 20 0 DFADRP C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)[C@@H]2[NH2+]CCCC2(C)C)C1 ZINC000423318639 429063077 /nfs/dbraw/zinc/06/30/77/429063077.db2.gz CRKKXADVAJOQEW-ZACQAIPSSA-N 2 0 323.525 2.639 20 0 DFADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)[C@@H]2[NH2+]CCCC2(C)C)C1 ZINC000423318634 429063652 /nfs/dbraw/zinc/06/36/52/429063652.db2.gz CRKKXADVAJOQEW-BBWFWOEESA-N 2 0 323.525 2.639 20 0 DFADRP C[C@H](Cc1ccccc1)[NH+]1CCC(NCC2([NH3+])CCC2)CC1 ZINC000423324321 429064610 /nfs/dbraw/zinc/06/46/10/429064610.db2.gz ITKCIDXOXPBNNW-MRXNPFEDSA-N 2 0 301.478 2.553 20 0 DFADRP CC(C)[N@H+](C)Cc1ccccc1CNC(=O)[C@@H]1C[C@H](C)CC[NH2+]1 ZINC000423325506 429065558 /nfs/dbraw/zinc/06/55/58/429065558.db2.gz IVCUVIVIZPUKQS-QAPCUYQASA-N 2 0 317.477 2.531 20 0 DFADRP C[C@@H]([NH2+]CC1=CC[NH2+]CC1)c1ccc(F)cc1OC(F)F ZINC000423331095 429065577 /nfs/dbraw/zinc/06/55/77/429065577.db2.gz CGOQJZYAUMTHSZ-SNVBAGLBSA-N 2 0 300.324 2.997 20 0 DFADRP CC[NH+](CC)CCCCNC(=O)C(C)(C)[C@@H]([NH3+])c1ccccc1 ZINC000423330358 429065673 /nfs/dbraw/zinc/06/56/73/429065673.db2.gz NPRWYCIQNBFSHT-KRWDZBQOSA-N 2 0 319.493 2.951 20 0 DFADRP C[C@@H]([NH3+])c1ccc(C(=O)NC[C@@H](C)[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000423329577 429066413 /nfs/dbraw/zinc/06/64/13/429066413.db2.gz MVTSHFJSKMCJKC-RBSFLKMASA-N 2 0 303.450 2.557 20 0 DFADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC[C@]1(C)CCC[NH2+]C1 ZINC000423338712 429067137 /nfs/dbraw/zinc/06/71/37/429067137.db2.gz UUVLQRLHCXSKPM-MISYRCLQSA-N 2 0 315.505 2.876 20 0 DFADRP CCO[C@@H]1C[C@H]([NH2+]C[C@@]2(C)CCC[NH2+]C2)[C@@H]1Oc1ccccc1 ZINC000423337508 429067428 /nfs/dbraw/zinc/06/74/28/429067428.db2.gz KFMHSIIBKMFSNI-RDGPPVDQSA-N 2 0 318.461 2.591 20 0 DFADRP [NH3+][C@H](C[NH2+][C@H]1CCc2cccc(Br)c2C1)C1CC1 ZINC000423334591 429067741 /nfs/dbraw/zinc/06/77/41/429067741.db2.gz WTKQOIDDWUBVAF-SWLSCSKDSA-N 2 0 309.251 2.633 20 0 DFADRP C[C@H](C[NH3+])N[C@@H]1CCCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000423331992 429068443 /nfs/dbraw/zinc/06/84/43/429068443.db2.gz QPVIQIMSMBVGLR-OQIJWPOYSA-N 2 0 301.478 2.614 20 0 DFADRP CCOC(=O)[C@H]1CC[C@H]([NH2+]CC2=CC[NH2+]CC2)c2ccccc21 ZINC000423345236 429070419 /nfs/dbraw/zinc/07/04/19/429070419.db2.gz FUXKMIFCEADAML-ROUUACIJSA-N 2 0 314.429 2.678 20 0 DFADRP CC(C)[C@H](C(=O)N1CCC[N@H+](CC2CCCCC2)CC1)[C@H](C)[NH3+] ZINC000423341377 429070527 /nfs/dbraw/zinc/07/05/27/429070527.db2.gz CKHWZVZRWHKDDN-WMZOPIPTSA-N 2 0 323.525 2.720 20 0 DFADRP COc1ccc([C@@H](Cc2ccncc2)[NH2+]CC2=CC[NH2+]CC2)cc1 ZINC000423357025 429071704 /nfs/dbraw/zinc/07/17/04/429071704.db2.gz RRJAFWSTYZHFPJ-HXUWFJFHSA-N 2 0 323.440 2.883 20 0 DFADRP C[C@@H]([NH3+])c1ccc(C(=O)N2CCC[N@@H+](C3CCCC3)CC2)cc1 ZINC000423362494 429072714 /nfs/dbraw/zinc/07/27/14/429072714.db2.gz IDHPOCGGVSDXRC-OAHLLOKOSA-N 2 0 315.461 2.797 20 0 DFADRP c1c2c(nn1-c1ccccc1)CCC[C@@H]2[NH2+]CC1=CC[NH2+]CC1 ZINC000423360185 429072776 /nfs/dbraw/zinc/07/27/76/429072776.db2.gz VXBFSQKFIQEHKI-SFHVURJKSA-N 2 0 308.429 2.759 20 0 DFADRP CC(C)[C@@H](C(=O)NCc1cccc(C[N@H+](C)C(C)C)c1)[C@H](C)[NH3+] ZINC000423356371 429072822 /nfs/dbraw/zinc/07/28/22/429072822.db2.gz GPVDULMDGMCADP-MAUKXSAKSA-N 2 0 319.493 2.762 20 0 DFADRP COc1ccc(C[C@H](C)[NH2+][C@H]2CCC[C@@H]([NH3+])C2)c(C)c1OC ZINC000423371348 429073789 /nfs/dbraw/zinc/07/37/89/429073789.db2.gz QEZGCAWUPCKLNA-MAZHCROVSA-N 2 0 306.450 2.803 20 0 DFADRP CC(C)[N@H+](C)Cc1cccc(CNC(=O)[C@H]2C[C@@H](C)CC[NH2+]2)c1 ZINC000423370826 429074487 /nfs/dbraw/zinc/07/44/87/429074487.db2.gz UQIATCZPQCPPMU-MAUKXSAKSA-N 2 0 317.477 2.531 20 0 DFADRP c1ccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@@H](NCC[C@H]2CCC[NH2+]2)C3)cc1 ZINC000423368576 429074559 /nfs/dbraw/zinc/07/45/59/429074559.db2.gz SBFAVDBMTBZXLR-YSTOQKLRSA-N 2 0 313.489 2.914 20 0 DFADRP C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)[C@@H]([NH3+])CC1CCCCC1 ZINC000423369101 429074986 /nfs/dbraw/zinc/07/49/86/429074986.db2.gz SIVRURZWTJKHOL-INMHGKMJSA-N 2 0 309.498 2.521 20 0 DFADRP C[N@H+](CCNC(=O)C(C)(C)[C@H]([NH3+])c1ccccc1)C1CCCC1 ZINC000423383933 429079226 /nfs/dbraw/zinc/07/92/26/429079226.db2.gz PMATYTSTRGNGAS-QGZVFWFLSA-N 2 0 317.477 2.703 20 0 DFADRP CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@H]2CC[NH2+]C[C@@H]2C)c2ccccc21 ZINC000423389320 429079463 /nfs/dbraw/zinc/07/94/63/429079463.db2.gz JICJAWDFCRBSLR-NBMRYCAZSA-N 2 0 316.445 2.756 20 0 DFADRP CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@H]2CC[NH2+]C[C@H]2C)c2ccccc21 ZINC000423389322 429080226 /nfs/dbraw/zinc/08/02/26/429080226.db2.gz JICJAWDFCRBSLR-ZSGPHXLJSA-N 2 0 316.445 2.756 20 0 DFADRP C[C@@H]([NH2+]C[C@@H]1CCNCC1(F)F)c1cc(F)c(F)c(F)c1 ZINC000423482372 429097421 /nfs/dbraw/zinc/09/74/21/429097421.db2.gz QUBPPWDTXMAOPL-SCZZXKLOSA-N 2 0 308.294 2.999 20 0 DFADRP COCC1(C[NH2+][C@@H](c2ccc(OC)cc2)C(C)C)CC[NH2+]CC1 ZINC000423397953 429080981 /nfs/dbraw/zinc/08/09/81/429080981.db2.gz CLIAZFZYIXPPCL-GOSISDBHSA-N 2 0 320.477 2.998 20 0 DFADRP C[C@@H](C[NH3+])N[C@@H]1CCCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000423400989 429081466 /nfs/dbraw/zinc/08/14/66/429081466.db2.gz QPVIQIMSMBVGLR-JCHJZTRSSA-N 2 0 301.478 2.614 20 0 DFADRP CC(C)[C@H](N[C@@H]1CCC[NH2+][C@@H]1C)c1ccc2[nH]c(=O)oc2c1 ZINC000423402966 429081823 /nfs/dbraw/zinc/08/18/23/429081823.db2.gz XWVFSDFXQUDNHW-KFNAQCHYSA-N 2 0 303.406 2.961 20 0 DFADRP CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)[C@@H](C(C)C)[C@H](C)[NH3+])C1 ZINC000423409950 429083226 /nfs/dbraw/zinc/08/32/26/429083226.db2.gz RCJAXISKTFOGNM-XHSDSOJGSA-N 2 0 311.514 2.623 20 0 DFADRP CCC[C@H]([NH2+]C[C@H]1C[NH2+]C[C@H]1O)c1cccc(C(F)(F)F)c1 ZINC000423408538 429084031 /nfs/dbraw/zinc/08/40/31/429084031.db2.gz OUVNLGXFYAVUFO-VHDGCEQUSA-N 2 0 316.367 2.717 20 0 DFADRP CC[N@H+](C)C[C@@H]1CCN(C(=O)C(C)(C)[C@H]([NH3+])c2ccccc2)C1 ZINC000423427157 429084865 /nfs/dbraw/zinc/08/48/65/429084865.db2.gz IICXTVQAGOCLFC-DOTOQJQBSA-N 2 0 317.477 2.513 20 0 DFADRP CN1CC[C@H]([NH2+][C@@H]2C[C@H]2C2CC[NH2+]CC2)C[C@H]1c1ccccc1 ZINC000423424085 429085208 /nfs/dbraw/zinc/08/52/08/429085208.db2.gz CLJWLFNMPLHZAK-HAGHYFMRSA-N 2 0 313.489 2.800 20 0 DFADRP C[C@H]([NH2+]C[C@@H]1C[NH2+]C[C@H]1O)c1ccc(-c2ccccc2)s1 ZINC000423437352 429087004 /nfs/dbraw/zinc/08/70/04/429087004.db2.gz UJYVRZYRLWKYFK-AEGPPILISA-N 2 0 302.443 2.646 20 0 DFADRP CCC(C)(C)[NH2+][C@H](C)C(=O)N[C@@H](CC(C)C)C[NH+]1CCCC1 ZINC000452343916 429098164 /nfs/dbraw/zinc/09/81/64/429098164.db2.gz MJKUQYIUDZQHBK-CVEARBPZSA-N 2 0 311.514 2.780 20 0 DFADRP [NH3+][C@H](CCC(=O)N1CC[NH+](C2CCC2)CC1)CC1CCCCC1 ZINC000424145731 429098377 /nfs/dbraw/zinc/09/83/77/429098377.db2.gz OINUKLKVNFRPNE-QGZVFWFLSA-N 2 0 321.509 2.761 20 0 DFADRP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)CC[C@@H]([NH3+])CC1CCCCC1 ZINC000424138616 429098984 /nfs/dbraw/zinc/09/89/84/429098984.db2.gz CSYFDPBMADCZEQ-KYJSFNMBSA-N 2 0 321.509 2.663 20 0 DFADRP C[C@H]([NH2+]CCC[C@H]1CCC[NH2+]1)c1cccc(N2CCOCC2)c1 ZINC000423490963 429098999 /nfs/dbraw/zinc/09/89/99/429098999.db2.gz YFDFWRNSNUKYJB-WMZOPIPTSA-N 2 0 317.477 2.706 20 0 DFADRP CC(C)C[C@@H](C[NH+]1CCCC1)NC(=O)CC[C@H]1CCCC[N@@H+]1C ZINC000452346436 429099179 /nfs/dbraw/zinc/09/91/79/429099179.db2.gz VQXYGIDTSVZTDS-ZWKOTPCHSA-N 2 0 323.525 2.878 20 0 DFADRP CC(C)OCCCC[NH2+][C@@H]1CC[N@H+](C[C@H]2CCCO2)C[C@H]1C ZINC000376361138 429099835 /nfs/dbraw/zinc/09/98/35/429099835.db2.gz RODMNRBDSBPCGU-KZNAEPCWSA-N 2 0 312.498 2.671 20 0 DFADRP CC(C)[C@@H](CSc1ccccc1)[NH2+]C[C@@H]1C[NH2+]CCCO1 ZINC000423493251 429099829 /nfs/dbraw/zinc/09/98/29/429099829.db2.gz PTPIWYLFFGILPZ-DOTOQJQBSA-N 2 0 308.491 2.771 20 0 DFADRP C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)CC[C@H]([NH3+])CC1CCCCC1 ZINC000424148319 429100408 /nfs/dbraw/zinc/10/04/08/429100408.db2.gz UGEDLTWALKWSHA-BPQIPLTHSA-N 2 0 321.509 2.759 20 0 DFADRP C1CCC2(C1)CCC[C@@H]2[NH2+]C1CCC([NH+]2CCNCC2)CC1 ZINC000423513708 429103668 /nfs/dbraw/zinc/10/36/68/429103668.db2.gz RUPSTKCBHGNOSL-ABHNRTSZSA-N 2 0 305.510 2.905 20 0 DFADRP C[C@@H]1CCN(C(=O)CC[C@H]([NH3+])CC2CCCCC2)[C@@H](C[NH3+])C1 ZINC000424178077 429106786 /nfs/dbraw/zinc/10/67/86/429106786.db2.gz QSZFRDGZKDUIIP-HYVNUMGLSA-N 2 0 309.498 2.650 20 0 DFADRP COC(=O)CCC[C@@H]1CCC[C@@H]([N@@H+]2C[C@@H](C)[C@](C)(C[NH3+])C2)C1 ZINC000423517342 429107134 /nfs/dbraw/zinc/10/71/34/429107134.db2.gz XZIUOFBEKGCUGO-KYHPRHEASA-N 2 0 310.482 2.805 20 0 DFADRP C[C@@H]([NH2+]CCC1=CC[NH2+]CC1)c1ccc(OCC[NH+](C)C)cc1 ZINC000423534781 429111024 /nfs/dbraw/zinc/11/10/24/429111024.db2.gz AXIAMGDALUZEIF-MRXNPFEDSA-N 3 0 317.477 2.587 20 0 DFADRP CCC[NH+](CCC)CCCC(=O)N1CC[C@@H]([NH+]2CCCC2)[C@@H]1C ZINC000376419701 429111579 /nfs/dbraw/zinc/11/15/79/429111579.db2.gz GKMHUDLCIIRANN-ZWKOTPCHSA-N 2 0 323.525 2.974 20 0 DFADRP COC(=O)CC1CC([NH2+][C@@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)C1 ZINC000424277587 429118376 /nfs/dbraw/zinc/11/83/76/429118376.db2.gz HATDXZAHLKMOSY-UIDBIOKJSA-N 2 0 308.466 2.571 20 0 DFADRP COc1ccc(OCCC[N@@H+]2CC3(C[C@H]2C)CC[NH2+]CC3)cc1 ZINC000424284233 429119633 /nfs/dbraw/zinc/11/96/33/429119633.db2.gz DDAYVTDQKUNGRP-MRXNPFEDSA-N 2 0 318.461 2.928 20 0 DFADRP C[C@@H]1CC2(C[N@@H+]1CC(=O)Nc1ccc(Cl)cc1)CC[NH2+]CC2 ZINC000424300580 429122342 /nfs/dbraw/zinc/12/23/42/429122342.db2.gz WURBULGSQKKGPK-CYBMUJFWSA-N 2 0 321.852 2.743 20 0 DFADRP Cc1cccc(C)c1NC(=O)C[N@H+]1CC2(C[C@H]1C)CC[NH2+]CC2 ZINC000424300572 429122441 /nfs/dbraw/zinc/12/24/41/429122441.db2.gz WUBJYEGXZGHULV-MRXNPFEDSA-N 2 0 315.461 2.706 20 0 DFADRP CCC[N@H+](C)C[C@H]1CCN(C[C@@H](C[NH3+])c2ccc(F)cc2)C1 ZINC000424303229 429123292 /nfs/dbraw/zinc/12/32/92/429123292.db2.gz NPSAVKFNLLXFKW-NVXWUHKLSA-N 2 0 307.457 2.532 20 0 DFADRP [NH3+]C[C@H](CN1CCC[C@H]([NH+]2CCCC2)CC1)c1ccc(F)cc1 ZINC000424302913 429123670 /nfs/dbraw/zinc/12/36/70/429123670.db2.gz MZCXACHOKVLGCJ-MJGOQNOKSA-N 2 0 319.468 2.818 20 0 DFADRP COc1ccc(C[N@@H+]2CC3(C[C@H]2C)CC[NH2+]CC3)c(OC)c1 ZINC000424372092 429130770 /nfs/dbraw/zinc/13/07/70/429130770.db2.gz FLPCIXBRSIBMPS-CQSZACIVSA-N 2 0 304.434 2.668 20 0 DFADRP CC(=O)Nc1ccccc1C[N@H+]1CC2(C[C@H]1C)CC[NH2+]CC2 ZINC000424368973 429130888 /nfs/dbraw/zinc/13/08/88/429130888.db2.gz AZIMQBQJACVUMG-CQSZACIVSA-N 2 0 301.434 2.609 20 0 DFADRP Cc1ccc(NC(=O)C[C@@H](C)[NH2+][C@@H]2CCCC[C@H]2[NH3+])c(C)c1 ZINC000424373075 429131241 /nfs/dbraw/zinc/13/12/41/429131241.db2.gz XJUMJIHAXBPZJB-BFYDXBDKSA-N 2 0 303.450 2.880 20 0 DFADRP Cc1cccc(NC(=O)C[C@H](C)[NH2+][C@@H]2CCCC[C@H]2[NH3+])c1C ZINC000424368402 429132372 /nfs/dbraw/zinc/13/23/72/429132372.db2.gz PVLRYBYEMBELJE-YSVLISHTSA-N 2 0 303.450 2.880 20 0 DFADRP C[C@H](CC(=O)Nc1cccc(Cl)c1)[NH2+][C@@H]1CCCC[C@H]1[NH3+] ZINC000424366739 429132482 /nfs/dbraw/zinc/13/24/82/429132482.db2.gz JJITWXGQVCDKGN-KCPJHIHWSA-N 2 0 309.841 2.917 20 0 DFADRP O=C(CC[C@@H]1CCC[NH2+]1)N1CCC[N@H+](CC2CCCCC2)CC1 ZINC000494640577 429134896 /nfs/dbraw/zinc/13/48/96/429134896.db2.gz BIJCNTOPVILJSF-SFHVURJKSA-N 2 0 321.509 2.633 20 0 DFADRP Cc1cc(C[NH3+])cc(NC(=O)NC(C)(C)CCC[NH+](C)C)c1 ZINC000424414517 429137240 /nfs/dbraw/zinc/13/72/40/429137240.db2.gz HHJAUZZIAVRMGX-UHFFFAOYSA-N 2 0 306.454 2.696 20 0 DFADRP COc1ccc2oc(C[NH+]3CCC(OCCC[NH3+])CC3)cc2c1 ZINC000435387655 429137550 /nfs/dbraw/zinc/13/75/50/429137550.db2.gz BPQDUZCVUAQENX-UHFFFAOYSA-N 2 0 318.417 2.771 20 0 DFADRP CCCN(CCC[NH+](C)C)C(=O)Nc1cc(C)cc(C[NH3+])c1 ZINC000424423984 429139890 /nfs/dbraw/zinc/13/98/90/429139890.db2.gz HHGWLIJTFIRQOG-UHFFFAOYSA-N 2 0 306.454 2.649 20 0 DFADRP Cn1ccnc1C[N@H+](CC1CCCC1)[C@@H]1CC12CC[NH2+]CC2 ZINC000435432364 429141825 /nfs/dbraw/zinc/14/18/25/429141825.db2.gz IOVZZMUWFRCTJQ-MRXNPFEDSA-N 2 0 302.466 2.554 20 0 DFADRP CC(C)[N@H+](C)Cc1ccccc1C[NH2+][C@@H]1CCC(=O)NC1(C)C ZINC000494885036 429161732 /nfs/dbraw/zinc/16/17/32/429161732.db2.gz DDGBSZBJUVPVTR-QGZVFWFLSA-N 2 0 317.477 2.674 20 0 DFADRP c1ccc2c(c1)[nH+]ccc2N1CC[NH+](CC[C@@H]2CCCO2)CC1 ZINC000289467498 275071577 /nfs/dbraw/zinc/07/15/77/275071577.db2.gz YTSZNPDMXRBOPR-INIZCTEOSA-N 2 0 311.429 2.926 20 0 DFADRP COCC[N@H+](C)CCOc1cccc(C[NH2+][C@@H]2C[C@@H](C)[C@@H]2C)c1 ZINC000495060138 429176245 /nfs/dbraw/zinc/17/62/45/429176245.db2.gz QCMKNQNZNVCZOR-JTDSTZFVSA-N 2 0 320.477 2.778 20 0 DFADRP CCO[C@@H]1C[C@H]([NH2+]CC2CC[NH+](C)CC2)[C@@H]1Oc1ccccc1 ZINC000364321549 429180894 /nfs/dbraw/zinc/18/08/94/429180894.db2.gz CJJQHCBMYLJQHR-OTWHNJEPSA-N 2 0 318.461 2.543 20 0 DFADRP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC[C@@H]1CCC[NH+]1C1CCCCC1 ZINC000436297772 429195956 /nfs/dbraw/zinc/19/59/56/429195956.db2.gz NXPUSLGUIHFJMD-AYOQOUSVSA-N 2 0 305.510 2.856 20 0 DFADRP C[C@H](C[NH2+][C@H]1CC[C@@H](c2ccccc2)C1)CN1CC[NH+](C)CC1 ZINC000436244770 429191374 /nfs/dbraw/zinc/19/13/74/429191374.db2.gz DKBWBZLSMXGKNJ-RLLQIKCJSA-N 2 0 315.505 2.796 20 0 DFADRP CC[N@@H+]1CCC[C@H](C[NH2+]Cc2c[nH]nc2-c2ccsc2)C1 ZINC000436278291 429194100 /nfs/dbraw/zinc/19/41/00/429194100.db2.gz CHVPPMOFKAKPJD-CYBMUJFWSA-N 2 0 304.463 2.960 20 0 DFADRP CC(C)c1ccc([C@@H]([NH3+])CNC(=O)C[C@H]2CCC[NH2+]CC2)cc1 ZINC000364469221 429209367 /nfs/dbraw/zinc/20/93/67/429209367.db2.gz TVCNMKMRMOTNJG-YJBOKZPZSA-N 2 0 317.477 2.706 20 0 DFADRP CCC(=O)N1CCC[C@H]1[C@H]1CCC[N@@H+]1CCC[NH+]1CCCCC1 ZINC000364591019 429231486 /nfs/dbraw/zinc/23/14/86/429231486.db2.gz LGNVWQGVVKQOBK-MSOLQXFVSA-N 2 0 321.509 2.728 20 0 DFADRP C[C@H](C(=O)N1CC[NH+](C2CCCCC2)CC1)[NH+]1[C@H](C)CC[C@H]1C ZINC000488774016 429199476 /nfs/dbraw/zinc/19/94/76/429199476.db2.gz XIKDQABELYDNOV-BRWVUGGUSA-N 2 0 321.509 2.725 20 0 DFADRP C[C@H]1C[C@H](C[NH3+])C[N@@H+]1CCOc1ccccc1C(F)(F)F ZINC000442767300 429235001 /nfs/dbraw/zinc/23/50/01/429235001.db2.gz YFVWBYJEJGOKSX-NWDGAFQWSA-N 2 0 302.340 2.753 20 0 DFADRP C[C@@H]1C[C@H](CNC(=[NH2+])N(C)C2CC2)C[N@@H+]1Cc1ccccc1 ZINC000364637553 429239215 /nfs/dbraw/zinc/23/92/15/429239215.db2.gz ZBPOVZGKROYQDJ-GDBMZVCRSA-N 2 0 300.450 2.516 20 0 DFADRP C[N@@H+]1CCCC[C@H]1CCN1CCCN(c2ncccc2F)CC1 ZINC000364747321 429262049 /nfs/dbraw/zinc/26/20/49/429262049.db2.gz AHRNGDPYGAQHHZ-INIZCTEOSA-N 2 0 320.456 2.607 20 0 DFADRP C[NH+](C)[C@H](CNC(=O)C[N@H+](C)C1(C)CCCC1)c1ccccc1 ZINC000489886494 429266812 /nfs/dbraw/zinc/26/68/12/429266812.db2.gz MTXGZOSUJMGNJB-QGZVFWFLSA-N 2 0 317.477 2.670 20 0 DFADRP CC[N@H+](CC(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C)C1CC1 ZINC000456279858 429270631 /nfs/dbraw/zinc/27/06/31/429270631.db2.gz PSNDYTPWUTUUGV-KRWDZBQOSA-N 2 0 301.434 2.658 20 0 DFADRP CCC[C@@H]([NH3+])C(=O)N1CCC[C@H]([N@H+](C)Cc2ccccc2)CC1 ZINC000364983617 429271029 /nfs/dbraw/zinc/27/10/29/429271029.db2.gz RRRLOWGTTIBLFE-ZWKOTPCHSA-N 2 0 317.477 2.627 20 0 DFADRP CC[N@H+](CN1C[C@]2(C[NH+]3CCC2CC3)OC1=O)C1CCCCC1 ZINC000495858985 429281919 /nfs/dbraw/zinc/28/19/19/429281919.db2.gz NEQKFVXMGXTRIW-SFHVURJKSA-N 2 0 321.465 2.515 20 0 DFADRP CC[NH+]1CCN(c2ccc(C[NH2+][C@@H]3CCC(C)(C)C3)cn2)CC1 ZINC000449081796 429326940 /nfs/dbraw/zinc/32/69/40/429326940.db2.gz HYMFSNFJUSPIKM-QGZVFWFLSA-N 2 0 316.493 2.892 20 0 DFADRP C[NH2+][C@H](CC(C)(C)C)C(=O)NCCCC[N@@H+]1CCCC[C@@H]1C ZINC000449087871 429328417 /nfs/dbraw/zinc/32/84/17/429328417.db2.gz XFZHDOFUFAWOEY-JKSUJKDBSA-N 2 0 311.514 2.781 20 0 DFADRP C[C@H]([NH2+]C1CC1)C(=O)Nc1ccc(C[NH+]2CCC(C)CC2)cc1 ZINC000449094993 429331252 /nfs/dbraw/zinc/33/12/52/429331252.db2.gz VKXBMHHCIPQAEP-HNNXBMFYSA-N 2 0 315.461 2.998 20 0 DFADRP COCC1CCC([NH2+]CCCC[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000449103350 429332468 /nfs/dbraw/zinc/33/24/68/429332468.db2.gz PSJIJNJVFODDIH-VYMRPNJYSA-N 2 0 312.498 2.671 20 0 DFADRP C[NH+]1CCC(N2CCC([NH2+][C@@H]3CCCC34CCC4)CC2)CC1 ZINC000449108078 429334884 /nfs/dbraw/zinc/33/48/84/429334884.db2.gz PMISXMQLDDQGOG-GOSISDBHSA-N 2 0 305.510 2.857 20 0 DFADRP FC(F)Oc1ccc(C[NH2+]C[C@H]2CCn3ccnc3C2)cc1 ZINC000365554412 429339707 /nfs/dbraw/zinc/33/97/07/429339707.db2.gz KWIAXECISMWDAU-ZDUSSCGKSA-N 2 0 307.344 2.837 20 0 DFADRP CCC[NH+]1CCC(C[NH2+]Cc2cc(C(=O)OCC)c(C)[nH]2)CC1 ZINC000449130519 429340340 /nfs/dbraw/zinc/34/03/40/429340340.db2.gz GWONVWURMIOZBW-UHFFFAOYSA-N 2 0 321.465 2.711 20 0 DFADRP CN(Cc1ccc(-c2ccccn2)nc1)C[C@@H]1CCC[N@H+](C)C1 ZINC000425416823 429291393 /nfs/dbraw/zinc/29/13/93/429291393.db2.gz IXUNUVMSSAGMSK-QGZVFWFLSA-N 2 0 310.445 2.917 20 0 DFADRP CO[C@H](C[N@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1)C1CC1 ZINC000425425295 429293390 /nfs/dbraw/zinc/29/33/90/429293390.db2.gz YBOLOJINPACHBG-IEBWSBKVSA-N 2 0 302.462 2.865 20 0 DFADRP CO[C@@H](C[N@H+](C)CC1CCN(c2cc[nH+]cc2)CC1)C1CC1 ZINC000425425447 429293691 /nfs/dbraw/zinc/29/36/91/429293691.db2.gz UGZGEDAMRLAYDC-SFHVURJKSA-N 2 0 303.450 2.655 20 0 DFADRP C[C@H](C[N@@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@@H](C)C1)c1ccccc1 ZINC000490632811 429298747 /nfs/dbraw/zinc/29/87/47/429298747.db2.gz UWMKUJYZYMFOGV-WSTZPKSXSA-N 2 0 315.505 2.748 20 0 DFADRP C[C@H]1C[C@H](NC(=O)C2(C[NH+](C)C)CCCCC2)c2nccn21 ZINC000456436143 429305849 /nfs/dbraw/zinc/30/58/49/429305849.db2.gz VWJUSKPKUNREPZ-KBPBESRZSA-N 2 0 304.438 2.517 20 0 DFADRP COC(=O)[C@@H](CC[N@@H+]1CCC[C@@H]([NH+](C)C)CC1)c1ccccc1 ZINC000425484869 429306715 /nfs/dbraw/zinc/30/67/15/429306715.db2.gz SWCBWSLUMGDOJO-MSOLQXFVSA-N 2 0 318.461 2.749 20 0 DFADRP C[NH+](C)[C@H]1CCC[N@H+](CC2CCN(C(=O)C(C)(C)C)CC2)CC1 ZINC000365407763 429313712 /nfs/dbraw/zinc/31/37/12/429313712.db2.gz SOKIQIQGKVANFH-KRWDZBQOSA-N 2 0 323.525 2.687 20 0 DFADRP C[C@H]1CCC[N@H+](Cc2ccc(NC(=O)/C=C/C[NH+](C)C)cc2)C1 ZINC000491686423 429391085 /nfs/dbraw/zinc/39/10/85/429391085.db2.gz QPCQBONVAATHHG-YERXGYGTSA-N 2 0 315.461 2.975 20 0 DFADRP C[C@@H]1C[C@@H]([NH2+]Cc2cn(C)nc2-c2ccc(F)cc2)CC[N@@H+]1C ZINC000449170907 429349453 /nfs/dbraw/zinc/34/94/53/429349453.db2.gz JIKSZHDESGZZLN-DYVFJYSZSA-N 2 0 316.424 2.799 20 0 DFADRP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+]C[C@H]2CCC[C@@H]2O)CC1 ZINC000449179164 429350393 /nfs/dbraw/zinc/35/03/93/429350393.db2.gz ZBZQLDKSUBXOMT-POAQFYNOSA-N 2 0 316.489 2.833 20 0 DFADRP C[C@@H]1CCCC[C@@H]1OCC[NH2+]Cc1cc(C2CC[NH2+]CC2)no1 ZINC000425901541 429350507 /nfs/dbraw/zinc/35/05/07/429350507.db2.gz PZKWHWUOUZIJAA-KDOFPFPSSA-N 2 0 321.465 2.827 20 0 DFADRP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+]CCc1ncccc1C ZINC000518080699 429409697 /nfs/dbraw/zinc/40/96/97/429409697.db2.gz ZGVCLIKQTVXGMI-UHFFFAOYSA-N 2 0 307.401 2.611 20 0 DFADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]CC2CC(F)(F)C2)[C@H](C)C1 ZINC000425952307 429353920 /nfs/dbraw/zinc/35/39/20/429353920.db2.gz PAVNAMBISXEIFH-HIFRSBDPSA-N 2 0 304.425 2.758 20 0 DFADRP C[C@@H](Cc1ccccc1)[NH+]1CCC([NH2+]CCc2cnccn2)CC1 ZINC000449208710 429358675 /nfs/dbraw/zinc/35/86/75/429358675.db2.gz SWBGRHLTGZWIGY-KRWDZBQOSA-N 2 0 324.472 2.704 20 0 DFADRP C[C@@H](Cc1ccccc1)[NH+]1CCC([NH2+][C@@H]2C=C[C@H](CO)C2)CC1 ZINC000449226218 429361295 /nfs/dbraw/zinc/36/12/95/429361295.db2.gz WVCREMMTAZHUSS-XKGZKEIXSA-N 2 0 314.473 2.609 20 0 DFADRP C[C@H](C[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@H]21)N1CCc2ccccc21 ZINC000513689414 429363059 /nfs/dbraw/zinc/36/30/59/429363059.db2.gz BVIZAKQYGVEEDM-MJKGWSOKSA-N 2 0 313.489 2.900 20 0 DFADRP C[C@H]([NH2+][C@H]1CN(C2CC2)C[C@H]1C)[C@@H]1OCCc2sccc21 ZINC000426307998 429381291 /nfs/dbraw/zinc/38/12/91/429381291.db2.gz UOKAFGAHCJXOLO-LMMLAZSQSA-N 2 0 306.475 2.823 20 0 DFADRP C[NH+](C)Cc1cccc(NC(=O)[C@@]2(c3ccccc3)CC[NH2+]C2)c1 ZINC000449323929 429388892 /nfs/dbraw/zinc/38/88/92/429388892.db2.gz BTUMEGLNEYXHAV-FQEVSTJZSA-N 2 0 323.440 2.618 20 0 DFADRP C[C@@H]1CC[C@H](C)[C@H]([NH2+]Cc2ccncc2OCC[NH+](C)C)C1 ZINC000449330061 429390080 /nfs/dbraw/zinc/39/00/80/429390080.db2.gz RLDYZLWWDRKEHN-HLLBOEOZSA-N 2 0 305.466 2.936 20 0 DFADRP C[C@H]([NH2+]CCc1ccc(Br)cc1)[C@H]1CCC[NH2+]C1 ZINC000519138330 429448730 /nfs/dbraw/zinc/44/87/30/429448730.db2.gz WJOMMJIMABZRFL-JSGCOSHPSA-N 2 0 311.267 2.969 20 0 DFADRP Cc1ccc([C@H]([NH2+]C[C@@H](O)C[NH+]2CCCC2)C2CCC2)cc1 ZINC000427617647 429459549 /nfs/dbraw/zinc/45/95/49/429459549.db2.gz JEHYEHYOBOJZKD-RTBURBONSA-N 2 0 302.462 2.883 20 0 DFADRP C[C@H]([NH2+]CCc1cncn1C)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000519607425 429469429 /nfs/dbraw/zinc/46/94/29/429469429.db2.gz PDLSOLXGYJPMNR-LBPRGKRZSA-N 2 0 312.417 2.543 20 0 DFADRP C[C@H](C[NH2+][C@@H]1CCC[C@@H](c2ccnn2C)C1)C[NH+]1CCCC1 ZINC000366075711 429411797 /nfs/dbraw/zinc/41/17/97/429411797.db2.gz XBIFWCKGSUPACB-BRWVUGGUSA-N 2 0 304.482 2.768 20 0 DFADRP C[C@H]1C[N@@H+]2CCCC[C@H]2CN1C(=O)C1(C[NH+](C)C)CCCCC1 ZINC000426887319 429423099 /nfs/dbraw/zinc/42/30/99/429423099.db2.gz VCJQUVRHNGDXGH-IRXDYDNUSA-N 2 0 321.509 2.584 20 0 DFADRP C[N@H+](Cc1ccccc1)CC(C)(C)CN1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000427119879 429433953 /nfs/dbraw/zinc/43/39/53/429433953.db2.gz NNCWDPKVUJYDOZ-RBUKOAKNSA-N 2 0 315.505 2.828 20 0 DFADRP C[N@H+](Cc1ccccc1)CC(C)(C)C[NH2+][C@@H]1CCC[C@@H]1CO ZINC000449711256 429486417 /nfs/dbraw/zinc/48/64/17/429486417.db2.gz OGTAHUGSLRKLLC-QZTJIDSGSA-N 2 0 304.478 2.895 20 0 DFADRP CC[N@H+](Cc1ccc(C(=O)N[C@H]2CC[C@@H](C[NH3+])C2)cc1)C1CC1 ZINC000449722339 429488239 /nfs/dbraw/zinc/48/82/39/429488239.db2.gz KPJZHPOGGLTHHZ-WBVHZDCISA-N 2 0 315.461 2.528 20 0 DFADRP Cc1noc(C2CCC([NH2+]CCC3CC[NH+](C)CC3)CC2)n1 ZINC000366679196 429492224 /nfs/dbraw/zinc/49/22/24/429492224.db2.gz MQBVXIGGKOTSSJ-UHFFFAOYSA-N 2 0 306.454 2.726 20 0 DFADRP Cc1nc(C(C)C)oc1C[N@@H+](C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000428207066 429499113 /nfs/dbraw/zinc/49/91/13/429499113.db2.gz OMIWRLCBBZVSET-AWEZNQCLSA-N 2 0 323.481 2.631 20 0 DFADRP CC[N@H+](Cc1ccc(C(=O)N[C@@H]2CC[NH2+]C2(C)C)cc1)C1CC1 ZINC000449755499 429500351 /nfs/dbraw/zinc/50/03/51/429500351.db2.gz UFHPXVBJTWHOEF-QGZVFWFLSA-N 2 0 315.461 2.541 20 0 DFADRP c1cn2c(n1)C[C@@H](C[NH2+]C1CC[NH+](C3CCCCC3)CC1)CC2 ZINC000366744779 429505354 /nfs/dbraw/zinc/50/53/54/429505354.db2.gz KDGBMTLUSMMPEZ-INIZCTEOSA-N 2 0 316.493 2.832 20 0 DFADRP CC(C)[NH+]1CCC([N@H+](C)CCN2CCc3ccccc32)CC1 ZINC000428253006 429506367 /nfs/dbraw/zinc/50/63/67/429506367.db2.gz NSOXUZXXWRQRPZ-UHFFFAOYSA-N 2 0 301.478 2.854 20 0 DFADRP c1ccc2c(c1)CCN2CC[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000428254036 429506522 /nfs/dbraw/zinc/50/65/22/429506522.db2.gz FMYZTGSERKSINC-SFHVURJKSA-N 2 0 313.489 2.857 20 0 DFADRP COc1cc(F)cc(C[C@H](C)[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000449783045 429511317 /nfs/dbraw/zinc/51/13/17/429511317.db2.gz MVZCPRYGSWYFGY-JQFCIGGWSA-N 2 0 306.425 2.982 20 0 DFADRP C[N@@H+]1CCCC[C@@H]1CCC(=O)N(CCC[NH3+])CC1CCCC1 ZINC000520579417 429522292 /nfs/dbraw/zinc/52/22/92/429522292.db2.gz UQBINQXFQMXJTR-QGZVFWFLSA-N 2 0 309.498 2.619 20 0 DFADRP C(CN1CCOCC12CCCC2)C[N@@H+]1CCOCC12CCCC2 ZINC000367044955 429566400 /nfs/dbraw/zinc/56/64/00/429566400.db2.gz IVXVVTCSIXVWLG-UHFFFAOYSA-N 2 0 322.493 2.667 20 0 DFADRP C[N@@H+]1CC[C@]2(CCN(Cc3ccc4c(c3)OC(F)(F)O4)C2)C1 ZINC000429016925 429571849 /nfs/dbraw/zinc/57/18/49/429571849.db2.gz DLSQMIUWNKUIBS-HNNXBMFYSA-N 2 0 310.344 2.536 20 0 DFADRP CC1(C)Cc2occc2[C@H]([NH2+]CC2CC[NH+](CCO)CC2)C1 ZINC000151822474 275875552 /nfs/dbraw/zinc/87/55/52/275875552.db2.gz PTNHYNZNNMJSDQ-MRXNPFEDSA-N 2 0 306.450 2.587 20 0 DFADRP CC[NH+]1CCC(N(CC(=O)NC2CCC(C)CC2)C2CC2)CC1 ZINC000367111389 429580361 /nfs/dbraw/zinc/58/03/61/429580361.db2.gz WYMUWQSNGQOARD-UHFFFAOYSA-N 2 0 321.509 2.630 20 0 DFADRP CCn1nccc1CC[NH+]1CCC2(C[C@H]2C[N@H+](C)C2CC2)CC1 ZINC000367122183 429583124 /nfs/dbraw/zinc/58/31/24/429583124.db2.gz XVXFUOJGMAXSHL-INIZCTEOSA-N 2 0 316.493 2.642 20 0 DFADRP C(C[NH+]1CCCO[C@@H]2CCC[C@H]21)C[N@@H+]1CCCO[C@@H]2CCC[C@H]21 ZINC000366930281 429541277 /nfs/dbraw/zinc/54/12/77/429541277.db2.gz ROQKJHVQXMACGJ-NCXUSEDFSA-N 2 0 322.493 2.663 20 0 DFADRP Cc1cnn(C)c1C[NH+]1CCC(C[NH+]2CCC(C)CC2)CC1 ZINC000367303142 429617687 /nfs/dbraw/zinc/61/76/87/429617687.db2.gz WOUSFYBHHOUWFO-UHFFFAOYSA-N 2 0 304.482 2.672 20 0 DFADRP C[C@H](c1ccccc1)[C@H](O)C[N@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000450438096 429625557 /nfs/dbraw/zinc/62/55/57/429625557.db2.gz JWYDSTRZYDWBSN-BHIYHBOVSA-N 2 0 304.478 2.957 20 0 DFADRP C[C@H](c1ccccc1)[C@H](O)C[N@@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000450454370 429628950 /nfs/dbraw/zinc/62/89/50/429628950.db2.gz OHHYSLUWVRRBSK-IMFGXOCKSA-N 2 0 316.489 2.815 20 0 DFADRP CC[NH+](CC)CCO[C@@H]1CC[N@H+](Cc2ccc(C(C)=O)cc2)C1 ZINC000450456809 429632132 /nfs/dbraw/zinc/63/21/32/429632132.db2.gz ULXANWLROLLOBC-LJQANCHMSA-N 2 0 318.461 2.822 20 0 DFADRP CC[N@@H+]1CC[C@H]([NH+](C)C[C@H](O)[C@H](C)c2ccccc2)C[C@@H]1C ZINC000450466243 429633507 /nfs/dbraw/zinc/63/35/07/429633507.db2.gz IJLUKKSEUOCIBF-NBMJBFSESA-N 2 0 304.478 2.956 20 0 DFADRP CCN1CC[C@H]2CC[C@@H](C1)[N@@H+]2C[C@H](O)[C@@H](C)c1ccccc1 ZINC000450478493 429637952 /nfs/dbraw/zinc/63/79/52/429637952.db2.gz GUVUXTWSGHRVEG-NQYYFHDYSA-N 2 0 302.462 2.710 20 0 DFADRP CCc1ccc2[nH+]ccc(N3CC[N@H+](C[C@H](C)O)[C@@H](C)C3)c2c1 ZINC000450314178 429597205 /nfs/dbraw/zinc/59/72/05/429597205.db2.gz TYBADJJRNUJTIP-GJZGRUSLSA-N 2 0 313.445 2.689 20 0 DFADRP CN(CC[N@H+](C)Cc1ccc(F)cc1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000367213408 429598211 /nfs/dbraw/zinc/59/82/11/429598211.db2.gz WJHKYYVYEMNGLI-DFNIBXOVSA-N 2 0 319.468 2.815 20 0 DFADRP C[C@@H](C(=O)N[C@@H](C[NH3+])C1CCCCC1)[N@H+](C)Cc1ccccc1 ZINC000429352054 429601951 /nfs/dbraw/zinc/60/19/51/429601951.db2.gz HIDBKIVRAOWQAK-YJBOKZPZSA-N 2 0 317.477 2.531 20 0 DFADRP C[C@H](O)C[NH+]1CCC(C[N@H+](C)CCc2ccc(Cl)cc2)CC1 ZINC000450365653 429610222 /nfs/dbraw/zinc/61/02/22/429610222.db2.gz PGVOYECMGKTRGE-HNNXBMFYSA-N 2 0 324.896 2.907 20 0 DFADRP Cc1cc(NC(=O)C23CCC[NH+]2CCC3)ccc1C[NH+](C)C ZINC000458274554 429611536 /nfs/dbraw/zinc/61/15/36/429611536.db2.gz XRLDXMXMQRIOLD-UHFFFAOYSA-N 2 0 301.434 2.624 20 0 DFADRP C[N@@H+]1CCCC[C@H]1CN1CC[NH+](CC23CCC(CC2)C3)CC1 ZINC000450386771 429613506 /nfs/dbraw/zinc/61/35/06/429613506.db2.gz GBVBZRGCPMERCC-XBMUEBEBSA-N 2 0 305.510 2.669 20 0 DFADRP Cc1c(F)cccc1NC(=O)CC[N@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000429537417 429614648 /nfs/dbraw/zinc/61/46/48/429614648.db2.gz FHAWFVMVFBLVAQ-HNNXBMFYSA-N 2 0 321.440 2.879 20 0 DFADRP CC(C)[C@H](CCc1ccccc1)[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000360252292 276015912 /nfs/dbraw/zinc/01/59/12/276015912.db2.gz VWXIQCHCRSJOMR-OALUTQOASA-N 2 0 304.478 2.690 20 0 DFADRP C[C@H]1C[N@H+](CCC2=CCCCC2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000450646465 429668811 /nfs/dbraw/zinc/66/88/11/429668811.db2.gz MVNPGORROPUJTM-PKOBYXMFSA-N 2 0 305.510 2.835 20 0 DFADRP CC[N@H+](C)C[C@@H]1CCN([C@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC000271257885 276073608 /nfs/dbraw/zinc/07/36/08/276073608.db2.gz HNKQEPZMTJAWNK-OALUTQOASA-N 2 0 301.478 2.535 20 0 DFADRP CC[NH+](CC)Cc1ccccc1C[NH2+][C@H](C)C(=O)N(C)C(C)C ZINC000177415721 276110841 /nfs/dbraw/zinc/11/08/41/276110841.db2.gz ZCJQUJILYHTXJR-MRXNPFEDSA-N 2 0 319.493 2.873 20 0 DFADRP CC[N@H+](CCC1CC[NH+](CC2(C(=O)OC)CC2)CC1)CC1CC1 ZINC000450657491 429671829 /nfs/dbraw/zinc/67/18/29/429671829.db2.gz ZVCWTTDRGKIVKR-UHFFFAOYSA-N 2 0 322.493 2.774 20 0 DFADRP CC[NH+](CC)[C@H](C(=O)N(C)[C@@H]1CCC[N@H+](C)C1)c1ccccc1 ZINC000357401502 276115176 /nfs/dbraw/zinc/11/51/76/276115176.db2.gz PTIOYLIDUXGGJZ-MSOLQXFVSA-N 2 0 317.477 2.622 20 0 DFADRP CC1CCC2(CC1)OC[C@H](C[NH2+][C@@H]1C[C@H](C)[N@H+](C)C[C@@H]1C)O2 ZINC000180004260 276193227 /nfs/dbraw/zinc/19/32/27/276193227.db2.gz PPKNLAVFZBJNNY-RXBBHQPVSA-N 2 0 310.482 2.627 20 0 DFADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+][C@@H]2CCCc3sccc32)CC1 ZINC000121308516 276195931 /nfs/dbraw/zinc/19/59/31/276195931.db2.gz IGJRCLPBBQTWAQ-DOTOQJQBSA-N 2 0 321.534 2.989 20 0 DFADRP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@@H]2CCCc3sccc32)CC1 ZINC000121308670 276196299 /nfs/dbraw/zinc/19/62/99/276196299.db2.gz IGJRCLPBBQTWAQ-NVXWUHKLSA-N 2 0 321.534 2.989 20 0 DFADRP CN(CC[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@@H]21)Cc1ccccc1 ZINC000367599900 429682956 /nfs/dbraw/zinc/68/29/56/429682956.db2.gz IMXYIPUWYUGUAZ-QRVBRYPASA-N 2 0 301.478 2.581 20 0 DFADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@H](C)N2CCc3ccccc3C2)[C@@H](C)C1 ZINC000247164743 276229426 /nfs/dbraw/zinc/22/94/26/276229426.db2.gz XZNSYDBVDMKYOI-ZWOKBUDYSA-N 2 0 315.505 2.753 20 0 DFADRP CCc1ccc(NC(=O)[C@H](C)N2CCC[C@H]([C@H](C)[NH3+])C2)cc1 ZINC000430548534 429690107 /nfs/dbraw/zinc/69/01/07/429690107.db2.gz LXNIUOYXSPJLCZ-DZKIICNBSA-N 2 0 303.450 2.635 20 0 DFADRP CC[NH2+]CC1CC[NH+](CC(=O)NCCCC2CCCCC2)CC1 ZINC000430552028 429690238 /nfs/dbraw/zinc/69/02/38/429690238.db2.gz AQLXFLGEBJLXQQ-UHFFFAOYSA-N 2 0 323.525 2.785 20 0 DFADRP C[N@@H+]1CC[C@H]([NH2+]Cc2ccc(-n3cccn3)cc2)[C@H]2CCC[C@@H]21 ZINC000367638985 429691326 /nfs/dbraw/zinc/69/13/26/429691326.db2.gz SLIVCHSJKIQJJL-QYZOEREBSA-N 2 0 310.445 2.835 20 0 DFADRP Cc1nc2ccccc2n1CC[NH2+][C@@H]1CC[N@@H+](C)[C@H]2CCC[C@@H]21 ZINC000367613176 429684345 /nfs/dbraw/zinc/68/43/45/429684345.db2.gz BRUNJJWXJUIQGG-NUJGCVRESA-N 3 0 312.461 2.807 20 0 DFADRP C[N@@H+]1CC[C@H]([NH2+]Cc2cnn(Cc3ccccc3)c2)[C@@H]2CCC[C@@H]21 ZINC000367624632 429687044 /nfs/dbraw/zinc/68/70/44/429687044.db2.gz WJDHYFBHFCSLAU-UFYCRDLUSA-N 2 0 324.472 2.894 20 0 DFADRP C[N@@H+]1CC[C@H]([NH2+]Cc2cnn(Cc3ccccc3)c2)[C@@H]2CCC[C@H]21 ZINC000367624631 429687208 /nfs/dbraw/zinc/68/72/08/429687208.db2.gz WJDHYFBHFCSLAU-SLFFLAALSA-N 2 0 324.472 2.894 20 0 DFADRP CC(=O)Nc1cccc(C[NH2+][C@@H]2CC[N@@H+](C)[C@H]3CCC[C@H]32)c1 ZINC000367621286 429688003 /nfs/dbraw/zinc/68/80/03/429688003.db2.gz ZVOCVNKCODMVOI-KSZLIROESA-N 2 0 301.434 2.607 20 0 DFADRP Cc1cccc2ncc(C[N@H+]3CC[C@H](C4CC[NH+](C)CC4)C3)n21 ZINC000367685814 429699497 /nfs/dbraw/zinc/69/94/97/429699497.db2.gz LBYDTMIXKZNBQB-KRWDZBQOSA-N 2 0 312.461 2.806 20 0 DFADRP CC[NH2+]CC1CC[NH+]([C@@H](C)C(=O)Nc2c(C)cccc2C)CC1 ZINC000430596440 429699638 /nfs/dbraw/zinc/69/96/38/429699638.db2.gz OCVOPWRYLQIQFX-INIZCTEOSA-N 2 0 317.477 2.952 20 0 DFADRP CSc1ccc(OCC[NH+]2CCC(OCCC[NH3+])CC2)cc1 ZINC000430568093 429694694 /nfs/dbraw/zinc/69/46/94/429694694.db2.gz HAWBFWSIZMWLSC-UHFFFAOYSA-N 2 0 324.490 2.617 20 0 DFADRP CCO[C@H](CC[NH+](C)C)C[NH2+]Cc1cnc(-c2ccco2)s1 ZINC000193142723 276357676 /nfs/dbraw/zinc/35/76/76/276357676.db2.gz HIYUQCMYPVOHCI-CYBMUJFWSA-N 2 0 323.462 2.850 20 0 DFADRP C[C@@H]([NH3+])[C@@H]1CCC[N@H+](CCC(=O)Nc2ccc(Cl)cc2)C1 ZINC000430578333 429697354 /nfs/dbraw/zinc/69/73/54/429697354.db2.gz YLUXZRDCLJAKBE-CHWSQXEVSA-N 2 0 309.841 2.728 20 0 DFADRP C[C@@H]1CCC[C@@H](C[N@H+](C)[C@H]2CCN(C3CC[NH+](C)CC3)C2)C1 ZINC000367673250 429697879 /nfs/dbraw/zinc/69/78/79/429697879.db2.gz RCZJALWQPSWVSF-LMMKCTJWSA-N 2 0 307.526 2.913 20 0 DFADRP [NH3+]C[C@@H]1CCC[N@H+](CCOc2ccccc2C(F)(F)F)C1 ZINC000430602948 429700607 /nfs/dbraw/zinc/70/06/07/429700607.db2.gz IGHVHZWCBIJSQM-LBPRGKRZSA-N 2 0 302.340 2.755 20 0 DFADRP [NH3+]C[C@H]1CCC[N@H+](CCC(=O)Nc2cccc3ccccc32)C1 ZINC000430632066 429702808 /nfs/dbraw/zinc/70/28/08/429702808.db2.gz WMEQLESYRJQHGT-OAHLLOKOSA-N 2 0 311.429 2.839 20 0 DFADRP [NH3+]CC1CC[NH+](CCOc2ccc(OC(F)(F)F)cc2)CC1 ZINC000430619947 429703515 /nfs/dbraw/zinc/70/35/15/429703515.db2.gz GXSFWVZRXYKMCP-UHFFFAOYSA-N 2 0 318.339 2.635 20 0 DFADRP CC(C)C[C@H](C)[N@H+](C)C[C@@H]1C[C@H](F)CN1Cc1nccn1C ZINC000450812531 429704840 /nfs/dbraw/zinc/70/48/40/429704840.db2.gz NLVQSCBQQAUVME-JYJNAYRXSA-N 2 0 310.461 2.699 20 0 DFADRP CC[NH+](CC)CC1CCN(C(=O)C[C@@H](C)C2CC[NH2+]CC2)CC1 ZINC000430688246 429709193 /nfs/dbraw/zinc/70/91/93/429709193.db2.gz VZZTZKKZQSFYRG-MRXNPFEDSA-N 2 0 323.525 2.593 20 0 DFADRP C[C@H](CNC(=O)[C@H]1CCCCCC[C@H]1[NH3+])C[NH+]1CCCCC1 ZINC000430683874 429709556 /nfs/dbraw/zinc/70/95/56/429709556.db2.gz LCSHLWQYLFNHBB-IXDOHACOSA-N 2 0 309.498 2.522 20 0 DFADRP C[C@@H]1CCN(C(=O)OC(C)(C)C)CC[C@@H]1[NH2+]CCC[NH+](C)C ZINC000367765542 429713907 /nfs/dbraw/zinc/71/39/07/429713907.db2.gz OGDYWJHEHFSZQI-CABCVRRESA-N 2 0 313.486 2.563 20 0 DFADRP COc1ccc(-c2nc(C[NH+]3CCC([C@@H](C)[NH3+])CC3)co2)cc1 ZINC000430919019 429722648 /nfs/dbraw/zinc/72/26/48/429722648.db2.gz OQMXJOQZILLSPG-CYBMUJFWSA-N 2 0 315.417 2.909 20 0 DFADRP C[C@@H]1C[N@H+](CCc2nc(-c3cccc(Cl)c3)no2)CC[C@H]1[NH3+] ZINC000430917744 429723443 /nfs/dbraw/zinc/72/34/43/429723443.db2.gz FGCBEKRVDCIBAV-BXUZGUMPSA-N 2 0 320.824 2.602 20 0 DFADRP COc1ccc(-c2nc(C[NH+]3CCC([C@H](C)[NH3+])CC3)co2)cc1 ZINC000430919020 429723854 /nfs/dbraw/zinc/72/38/54/429723854.db2.gz OQMXJOQZILLSPG-ZDUSSCGKSA-N 2 0 315.417 2.909 20 0 DFADRP CN(C)CC[NH+]1CCC(C[NH2+]C2C3CC4CC(C3)CC2C4)CC1 ZINC000482348014 429724241 /nfs/dbraw/zinc/72/42/41/429724241.db2.gz FQAXYPAGIHGFER-UHFFFAOYSA-N 2 0 319.537 2.674 20 0 DFADRP C[NH2+]CC1CC[NH+](Cc2ccc(-n3nc(C)cc3C)cc2)CC1 ZINC000430933447 429724196 /nfs/dbraw/zinc/72/41/96/429724196.db2.gz KUHVSWHARVZPSH-UHFFFAOYSA-N 2 0 312.461 2.921 20 0 DFADRP C[NH2+]C[C@H]1CC[N@H+](CCC(=O)Nc2cccc3ccccc32)C1 ZINC000430931438 429725073 /nfs/dbraw/zinc/72/50/73/429725073.db2.gz CYHZUNDRTPVHPH-OAHLLOKOSA-N 2 0 311.429 2.710 20 0 DFADRP CC1(C)Cc2cc(C[NH+]3CCC4(CC[NH2+]C4)CC3)ccc2O1 ZINC000430925875 429725849 /nfs/dbraw/zinc/72/58/49/429725849.db2.gz FGCUQZGXDRJAGK-UHFFFAOYSA-N 2 0 300.446 2.976 20 0 DFADRP CSc1ccccc1NC(=O)CC[NH+]1CCC([C@H](C)[NH3+])CC1 ZINC000430935382 429726634 /nfs/dbraw/zinc/72/66/34/429726634.db2.gz PZVPKVWACWRCMV-ZDUSSCGKSA-N 2 0 321.490 2.796 20 0 DFADRP C[C@@H]1C[N@H+](CCOc2ccc(OC(F)(F)F)cc2)CC[C@H]1[NH3+] ZINC000430947989 429726859 /nfs/dbraw/zinc/72/68/59/429726859.db2.gz GRFWCUVEUAPMIL-BXUZGUMPSA-N 2 0 318.339 2.633 20 0 DFADRP CSc1cccc(NC(=O)[C@@H](C)[NH+]2CCC([C@@H](C)[NH3+])CC2)c1 ZINC000430948355 429727192 /nfs/dbraw/zinc/72/71/92/429727192.db2.gz IPYRHNCISYKZRP-CHWSQXEVSA-N 2 0 321.490 2.795 20 0 DFADRP [NH3+]C[C@H]1CC[N@H+](Cc2ccc(C(=O)Nc3ccccc3)cc2)C1 ZINC000430938355 429727622 /nfs/dbraw/zinc/72/76/22/429727622.db2.gz BMDMPFBMDKZTLZ-MRXNPFEDSA-N 2 0 309.413 2.720 20 0 DFADRP CC(C)[C@H](NC(=O)C[NH+]1CCC([C@@H](C)[NH3+])CC1)c1ccccc1 ZINC000430962737 429732057 /nfs/dbraw/zinc/73/20/57/429732057.db2.gz RCXVFINVLWXCCG-BEFAXECRSA-N 2 0 317.477 2.559 20 0 DFADRP CC(C)[N@@H+]1CCC[C@H](CNC(=O)[C@H]2CCCCCC[C@@H]2[NH3+])C1 ZINC000431045775 429736917 /nfs/dbraw/zinc/73/69/17/429736917.db2.gz AIMQHSBZRILMAU-IKGGRYGDSA-N 2 0 309.498 2.521 20 0 DFADRP CC(C)[N@@H+]1CCC[C@H](CNC(=O)[C@H]2CCCCCC[C@H]2[NH3+])C1 ZINC000431045776 429737511 /nfs/dbraw/zinc/73/75/11/429737511.db2.gz AIMQHSBZRILMAU-IXDOHACOSA-N 2 0 309.498 2.521 20 0 DFADRP C[N@H+](CCC(=O)NC1CC([NH+]2CCCCC2)C1)C1CCCCC1 ZINC000527267851 429738230 /nfs/dbraw/zinc/73/82/30/429738230.db2.gz SZCZBQICFXSWSI-UHFFFAOYSA-N 2 0 321.509 2.774 20 0 DFADRP CCC[N@H+](CCc1nc2ccccc2n1C)C1CC[NH2+]CC1 ZINC000431103147 429744337 /nfs/dbraw/zinc/74/43/37/429744337.db2.gz WCFNGPUZBQOCRQ-UHFFFAOYSA-N 2 0 300.450 2.580 20 0 DFADRP C[C@@H]1C[C@H]1[N@@H+]1CCN(CC[NH+](C)Cc2ccccc2)C[C@@H](C)C1 ZINC000451057266 429757806 /nfs/dbraw/zinc/75/78/06/429757806.db2.gz CQVBNHWJIBYGDM-QWFCFKBJSA-N 2 0 315.505 2.781 20 0 DFADRP C[C@@H]1C[C@H]([NH2+][C@H]2CCN(C3CC[NH+](C)CC3)C2)c2ccccc21 ZINC000368005422 429764388 /nfs/dbraw/zinc/76/43/88/429764388.db2.gz IPEMOPGYQGWVNO-GUXCAODWSA-N 2 0 313.489 2.993 20 0 DFADRP C[C@@H]1C[C@@H]([NH2+][C@H]2CCN(C3CC[NH+](C)CC3)C2)c2ccccc21 ZINC000368005421 429765196 /nfs/dbraw/zinc/76/51/96/429765196.db2.gz IPEMOPGYQGWVNO-GQIGUUNPSA-N 2 0 313.489 2.993 20 0 DFADRP Cc1cc(C[N@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@H]32)cc(C)c1O ZINC000368018202 429768869 /nfs/dbraw/zinc/76/88/69/429768869.db2.gz IZPSMOCEQCFEID-KZNAEPCWSA-N 2 0 318.461 2.693 20 0 DFADRP C[C@@H](Nc1c[nH+]ccc1N1CC[NH+](C)CC1)[C@@H]1C[C@H]1C1CC1 ZINC000527688269 429779779 /nfs/dbraw/zinc/77/97/79/429779779.db2.gz UJLCMPXHFCDYBM-KBMXLJTQSA-N 2 0 300.450 2.680 20 0 DFADRP CC[NH+]1CCN(CC(C)(C)[NH2+]Cc2ccc3cc[nH]c3c2)CC1 ZINC000527715527 429784712 /nfs/dbraw/zinc/78/47/12/429784712.db2.gz DFVPIZNFGONNPZ-UHFFFAOYSA-N 2 0 314.477 2.674 20 0 DFADRP FC1(F)Oc2cccc(CC[NH2+][C@H]3CC[N@@H+]4CCC[C@H]4C3)c2O1 ZINC000527754327 429791596 /nfs/dbraw/zinc/79/15/96/429791596.db2.gz JRKVOLGVQIWTDO-KBPBESRZSA-N 2 0 324.371 2.767 20 0 DFADRP C[C@H]([NH2+]Cc1ccccc1C[N@@H+]1CC[C@H](O)C1)[C@@H]1CC12CC2 ZINC000527886539 429815432 /nfs/dbraw/zinc/81/54/32/429815432.db2.gz KYJLESPCABVMNC-WBAXXEDZSA-N 2 0 300.446 2.531 20 0 DFADRP C[C@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)C=Cc1c[nH]cn1 ZINC000493729757 429818339 /nfs/dbraw/zinc/81/83/39/429818339.db2.gz UXAFBGXTFIJFOO-QWGSZXSUSA-N 2 0 324.428 2.546 20 0 DFADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]C[C@]1(C)COc2ccccc2O1 ZINC000527930048 429822509 /nfs/dbraw/zinc/82/25/09/429822509.db2.gz HDKZRAHYTNKBRZ-ZXFNITATSA-N 2 0 304.434 2.535 20 0 DFADRP C[N@@H+]1CC[C@H]([NH2+]C[C@]2(C)COc3ccccc3O2)[C@H]2CCC[C@H]21 ZINC000527935541 429823329 /nfs/dbraw/zinc/82/33/29/429823329.db2.gz ZWIMAWLIZAPSOV-YYAJDYIMSA-N 2 0 316.445 2.679 20 0 DFADRP Cc1c([C@H](C)NCCC[N@@H+]2CCCO[C@H](C)C2)cnn1C(C)C ZINC000432431236 429823461 /nfs/dbraw/zinc/82/34/61/429823461.db2.gz VTMXWFWEQAKQMR-CVEARBPZSA-N 2 0 322.497 2.924 20 0 DFADRP C[C@@H]1C[C@@H]([NH2+]CCc2cccc3c2OC(F)(F)O3)CC[N@@H+]1C ZINC000527943698 429824762 /nfs/dbraw/zinc/82/47/62/429824762.db2.gz BHWPUQUYEHZGEC-YPMHNXCESA-N 2 0 312.360 2.623 20 0 DFADRP C[C@@H]1C[C@H]([NH2+]CCc2cccc3c2OC(F)(F)O3)CC[N@@H+]1C ZINC000527943694 429825238 /nfs/dbraw/zinc/82/52/38/429825238.db2.gz BHWPUQUYEHZGEC-DGCLKSJQSA-N 2 0 312.360 2.623 20 0 DFADRP C[C@H]([NH3+])[C@H](C)C(=O)Nc1ccc(C[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000493991739 429852157 /nfs/dbraw/zinc/85/21/57/429852157.db2.gz IZBLLQXZLVNIBV-KKUMJFAQSA-N 2 0 303.450 2.983 20 0 DFADRP Cc1cccc(CC[C@H](C)[NH2+]C[C@@H]2CN3CCC[C@@H]3CO2)c1 ZINC000368539233 429863971 /nfs/dbraw/zinc/86/39/71/429863971.db2.gz SBGZGTQGKVTFIZ-QXAKKESOSA-N 2 0 302.462 2.769 20 0 DFADRP C[C@@H]([NH2+]Cc1ccccc1C[NH+]1CCC(O)CC1)[C@H]1CC12CC2 ZINC000527868556 429811669 /nfs/dbraw/zinc/81/16/69/429811669.db2.gz KTWSNRMJAOISQB-DNVCBOLYSA-N 2 0 314.473 2.922 20 0 DFADRP C[C@@H]1C[N@H+](CCCn2ccnc2)[C@@H](C)CN1C(=O)OC(C)(C)C ZINC000494502867 429877626 /nfs/dbraw/zinc/87/76/26/429877626.db2.gz HFTSOYXSXJAZIW-LSDHHAIUSA-N 2 0 322.453 2.603 20 0 DFADRP C[NH+](C)CCOc1ccccc1C[NH2+][C@H]1CCCc2n[nH]cc21 ZINC000368608547 429878104 /nfs/dbraw/zinc/87/81/04/429878104.db2.gz PSNNXUHSSSOVDO-INIZCTEOSA-N 2 0 314.433 2.517 20 0 DFADRP CO[C@H](Cc1ccc(F)cc1)C[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000528390350 429884636 /nfs/dbraw/zinc/88/46/36/429884636.db2.gz WXJBDKCYZAMHBH-PKOBYXMFSA-N 2 0 320.452 2.801 20 0 DFADRP OCc1ccc(F)c(CN2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000528421785 429886575 /nfs/dbraw/zinc/88/65/75/429886575.db2.gz BFPJLUUVKZVLAJ-KXBFYZLASA-N 2 0 318.436 2.767 20 0 DFADRP CC(C)[NH+]1CCC(N2CC[NH+](CC3CC(C)(C)C3)CC2)CC1 ZINC000528422469 429887039 /nfs/dbraw/zinc/88/70/39/429887039.db2.gz DKXUZOGLZKTEFF-UHFFFAOYSA-N 2 0 307.526 2.913 20 0 DFADRP CC[N@H+](Cc1ccc(C(=O)N[C@@H]2CCC[NH2+]CC2)cc1)C(C)C ZINC000368718246 429890150 /nfs/dbraw/zinc/89/01/50/429890150.db2.gz GEFWZACGRLRBOA-GOSISDBHSA-N 2 0 317.477 2.789 20 0 DFADRP CO[C@@H](CN1CC[C@@]2(C1)CCC[N@H+](C)C2)c1ccc(F)cc1 ZINC000528511718 429895589 /nfs/dbraw/zinc/89/55/89/429895589.db2.gz HCZNKUYZSHENIG-ROUUACIJSA-N 2 0 306.425 2.931 20 0 DFADRP CC(C)[C@H](C(=O)N1CCC([NH+]2CCCC2)CC1)[NH+]1CCCCC1 ZINC000369015090 429907638 /nfs/dbraw/zinc/90/76/38/429907638.db2.gz HRZLCEQFZYGYEL-GOSISDBHSA-N 2 0 321.509 2.584 20 0 DFADRP CC[N@H+](C)C[C@H](O)C[NH+]1CC[C@@H](c2ccc(F)cc2)C1(C)C ZINC000528746554 429912115 /nfs/dbraw/zinc/91/21/15/429912115.db2.gz WKDPZGDXSQDVGJ-IRXDYDNUSA-N 2 0 308.441 2.706 20 0 DFADRP c1ccc(CC[N@@H+]2CC[C@H](C[NH2+]C[C@@H]3CCSC3)C2)cc1 ZINC000369328464 429924328 /nfs/dbraw/zinc/92/43/28/429924328.db2.gz BDZYTGYKENZEAW-MSOLQXFVSA-N 2 0 304.503 2.894 20 0 DFADRP C[NH2+]Cc1ccc(NC(=O)NC2CC[NH+](C3CCC3)CC2)cc1 ZINC000557052220 429927210 /nfs/dbraw/zinc/92/72/10/429927210.db2.gz SNCOYDGAGOOJED-UHFFFAOYSA-N 2 0 316.449 2.544 20 0 DFADRP Cn1ccnc1[C@@H]1CC[N@H+](Cc2ccc(-n3cccn3)cc2)C1 ZINC000368581743 429871569 /nfs/dbraw/zinc/87/15/69/429871569.db2.gz SIIIUVWEGCPCQK-MRXNPFEDSA-N 2 0 307.401 2.595 20 0 DFADRP C[C@H](C[C@H](C)NC(=O)OC(C)(C)C)[NH2+]C[C@H]1CCC[N@H+](C)C1 ZINC000494467954 429875748 /nfs/dbraw/zinc/87/57/48/429875748.db2.gz GYHQOSIUILRGTA-QLFBSQMISA-N 2 0 313.486 2.610 20 0 DFADRP c1ccc(CN2CC[C@H]([NH2+][C@H]3CCCOC3)CC23CC3)cc1 ZINC000573563579 429961304 /nfs/dbraw/zinc/96/13/04/429961304.db2.gz FBVRVPDKQDJTCB-ROUUACIJSA-N 2 0 300.446 2.952 20 0 DFADRP Cc1ccc(NC(=O)C[N@H+]2CCC3(C2)CC[NH+](C)CC3)cc1C ZINC000639757067 429970065 /nfs/dbraw/zinc/97/00/65/429970065.db2.gz CYFWRONNAFBBIL-UHFFFAOYSA-N 2 0 315.461 2.660 20 0 DFADRP C[C@@H](c1ccccc1)[C@@H](O)C[N@@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC000639754695 429970385 /nfs/dbraw/zinc/97/03/85/429970385.db2.gz DMOVFRBBDKWXAM-WMZOPIPTSA-N 2 0 302.462 2.569 20 0 DFADRP C[NH+]1CCC2(CC[N@H+](Cc3cnn(Cc4ccccc4)c3)C2)CC1 ZINC000639757418 429970480 /nfs/dbraw/zinc/97/04/80/429970480.db2.gz LQQLXLULPGDUDV-UHFFFAOYSA-N 2 0 324.472 2.849 20 0 DFADRP CC(C)CCC[C@@H](C)NC(=O)C[N@@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC000639762071 429973637 /nfs/dbraw/zinc/97/36/37/429973637.db2.gz JYZSWTGHAAXIJC-QGZVFWFLSA-N 2 0 323.525 2.735 20 0 DFADRP C[C@@H]1C[C@@H]([NH2+]C[C@H]2CCCN(c3ccccc3)C2)CC[N@@H+]1C ZINC000369461949 429948593 /nfs/dbraw/zinc/94/85/93/429948593.db2.gz GZGDUMKWJOVZGD-KURKYZTESA-N 2 0 301.478 2.975 20 0 DFADRP Cc1ccc(OC[C@H](O)C[NH2+][C@H]2CCC[C@@H]([NH+](C)C)C2)c(C)c1 ZINC000573437434 429950162 /nfs/dbraw/zinc/95/01/62/429950162.db2.gz AIVPBPAJXYTRKQ-RCCFBDPRSA-N 2 0 320.477 2.506 20 0 DFADRP C[C@H](C(=O)N1CCC([NH2+]C2CCCC2)CC1)[NH+]1[C@H](C)CC[C@H]1C ZINC000369479244 429953459 /nfs/dbraw/zinc/95/34/59/429953459.db2.gz UCNOTZWNIBKUGT-BZUAXINKSA-N 2 0 321.509 2.771 20 0 DFADRP C[NH+](C)CCN1CCC([NH2+][C@H]2CCc3cc(Cl)ccc32)CC1 ZINC000150994002 276789210 /nfs/dbraw/zinc/78/92/10/276789210.db2.gz CBVHTITWDKYAAL-SFHVURJKSA-N 2 0 321.896 2.943 20 0 DFADRP COCC[N@H+](C)CC[C@H](N[C@@H]1CCC[C@@H]([NH3+])C1)c1ccccc1 ZINC000574415138 430040777 /nfs/dbraw/zinc/04/07/77/430040777.db2.gz SYQLFIOYRAXBRH-QRVBRYPASA-N 2 0 319.493 2.556 20 0 DFADRP C[C@@H]1C[C@@H](C)C[NH+](CCN2CCC(C)([NH+]3CCCC3)CC2)C1 ZINC000639983843 430044127 /nfs/dbraw/zinc/04/41/27/430044127.db2.gz MOTKOUMFIQVJRA-QZTJIDSGSA-N 2 0 307.526 2.915 20 0 DFADRP CCC1([NH+]2CCCC2)CCN(CCOC2CCOCC2)CC1 ZINC000639986986 430046184 /nfs/dbraw/zinc/04/61/84/430046184.db2.gz CXXUCMYIBPZPDK-UHFFFAOYSA-N 2 0 310.482 2.522 20 0 DFADRP CCC1([NH+]2CCCC2)CCN(Cc2ccnc(OC)c2)CC1 ZINC000639986588 430046402 /nfs/dbraw/zinc/04/64/02/430046402.db2.gz OYQYWESEJBOEFH-UHFFFAOYSA-N 2 0 303.450 2.931 20 0 DFADRP CC[C@@H](C)NC(=O)[C@H](C)N1CCC(CC)([NH+]2CCCC2)CC1 ZINC000639988022 430046989 /nfs/dbraw/zinc/04/69/89/430046989.db2.gz MHSDRNITXQOWBP-CVEARBPZSA-N 2 0 309.498 2.630 20 0 DFADRP CC1(C)CCC[C@@H]([NH2+]CCC[N@@H+]2CCC[C@H](C(N)=O)C2)CC1 ZINC000573935422 429995300 /nfs/dbraw/zinc/99/53/00/429995300.db2.gz FNIUHEKYKTULRO-JKSUJKDBSA-N 2 0 309.498 2.522 20 0 DFADRP Cc1cccc(OC[C@@H](O)C[NH2+]C2CC(C)(C)[NH2+]C(C)(C)C2)c1 ZINC000559582371 430010732 /nfs/dbraw/zinc/01/07/32/430010732.db2.gz VSVIGNGGOKQQAY-INIZCTEOSA-N 2 0 320.477 2.634 20 0 DFADRP COc1cc([C@@H](C)[NH2+]CCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)ccn1 ZINC000559917489 430016431 /nfs/dbraw/zinc/01/64/31/430016431.db2.gz PUKYXZBMLWDNFG-OWCLPIDISA-N 2 0 321.465 2.630 20 0 DFADRP CCN(CC)c1ncc(C[NH2+][C@@H]2CC[NH2+]CC(C)(C)C2)s1 ZINC000634733054 430093376 /nfs/dbraw/zinc/09/33/76/430093376.db2.gz WFXSWECBJQLGJJ-CYBMUJFWSA-N 2 0 310.511 2.857 20 0 DFADRP Cn1cc(C[NH2+][C@H]2CC[NH2+]CC(C)(C)C2)c(-c2ccccc2)n1 ZINC000634732381 430093980 /nfs/dbraw/zinc/09/39/80/430093980.db2.gz FDFQUXAPGFSTBS-KRWDZBQOSA-N 2 0 312.461 2.955 20 0 DFADRP C[C@@H](NCc1ccncc1OCCC[NH+](C)C)c1ccoc1 ZINC000561785860 430099769 /nfs/dbraw/zinc/09/97/69/430099769.db2.gz RDQPONUIAGWNDE-CQSZACIVSA-N 2 0 303.406 2.856 20 0 DFADRP C[C@H](N[C@H](C[NH+](C)C)c1ccc(Cl)c(Cl)c1)C1C[NH2+]C1 ZINC000530226919 430105766 /nfs/dbraw/zinc/10/57/66/430105766.db2.gz UXFROWYXWGDMFM-ZUZCIYMTSA-N 2 0 316.276 2.794 20 0 DFADRP C[NH2+]CCC1CC[NH+](C[C@H](Cc2ccc(F)cc2)OC)CC1 ZINC000530220465 430106303 /nfs/dbraw/zinc/10/63/03/430106303.db2.gz OFUNDQZZXDSRNQ-SFHVURJKSA-N 2 0 308.441 2.705 20 0 DFADRP CC(C)(C(=O)N[C@H]1CC[NH2+]CC(C)(C)C1)[C@H]([NH3+])c1ccccc1 ZINC000634763478 430106636 /nfs/dbraw/zinc/10/66/36/430106636.db2.gz XMCAVFNFFOPGQH-JKSUJKDBSA-N 2 0 317.477 2.607 20 0 DFADRP Fc1cc(F)cc(C[NH+]2CCC(CO[C@H]3CC[NH2+]C3)CC2)c1 ZINC000530243283 430107017 /nfs/dbraw/zinc/10/70/17/430107017.db2.gz WOJREFHTXXBZRH-KRWDZBQOSA-N 2 0 310.388 2.555 20 0 DFADRP CC(C)[C@H]1CN(C[C@@]2(C)CC[NH2+]C2)CC[N@@H+]1Cc1ccccc1 ZINC000530245156 430107976 /nfs/dbraw/zinc/10/79/76/430107976.db2.gz UZLNOKQLQNXLPK-UXHICEINSA-N 2 0 315.505 2.828 20 0 DFADRP COCC1([NH2+]C2CC[NH+]([C@H]3CCCC[C@@H]3C)CC2)CCOCC1 ZINC000560557745 430055082 /nfs/dbraw/zinc/05/50/82/430055082.db2.gz YFFLGDKIIGLFSK-WMZOPIPTSA-N 2 0 324.509 2.815 20 0 DFADRP CO[C@H]1C[C@H]([NH2+]Cc2cn(-c3cc[nH+]cc3)nc2C)C12CCC2 ZINC000560596946 430056686 /nfs/dbraw/zinc/05/66/86/430056686.db2.gz BEOVEKVSXNMXAT-IRXDYDNUSA-N 2 0 312.417 2.623 20 0 DFADRP C[NH+]1CCN(CCC[NH2+][C@H]2CC(C)(C)c3ccccc32)CC1 ZINC000178416142 276926571 /nfs/dbraw/zinc/92/65/71/276926571.db2.gz RYUAORFSMWQOMZ-SFHVURJKSA-N 2 0 301.478 2.636 20 0 DFADRP CC(C)[N@@H+]1CC[C@H](CNC(=O)[C@@H]2CCCC[NH+]2C2CCCC2)C1 ZINC000562657781 430161559 /nfs/dbraw/zinc/16/15/59/430161559.db2.gz GZDCSTXFOKTTQP-AEFFLSMTSA-N 2 0 321.509 2.630 20 0 DFADRP CCC[C@H](C)NC(=O)[C@@H](C)[NH+]1CCC(Nc2ccccn2)CC1 ZINC000535572730 430162996 /nfs/dbraw/zinc/16/29/96/430162996.db2.gz BBMGDEPWAUJEPA-LSDHHAIUSA-N 2 0 318.465 2.651 20 0 DFADRP C[NH+](C)Cc1ccc(C[NH2+]C[C@@H](O)CC2CCCC2)cc1F ZINC000580947573 430164883 /nfs/dbraw/zinc/16/48/83/430164883.db2.gz WPFRKVIALDFWRD-KRWDZBQOSA-N 2 0 308.441 2.918 20 0 DFADRP Cc1scc(C[NH+]2CCC(C[NH+]3CCOCC3)CC2)c1C ZINC000637905298 430167310 /nfs/dbraw/zinc/16/73/10/430167310.db2.gz KUBJZHPNZAFTKI-UHFFFAOYSA-N 2 0 308.491 2.909 20 0 DFADRP CCn1c2ccccc2nc1CN1CCC[C@H]([NH+](C)C)CC1 ZINC000562411109 430129084 /nfs/dbraw/zinc/12/90/84/430129084.db2.gz GHNHSJAUUJRBOJ-HNNXBMFYSA-N 2 0 300.450 2.972 20 0 DFADRP CC(C)[N@H+](C)CC1CC[NH+](CCCO[C@@H]2CCCCO2)CC1 ZINC000581142739 430183252 /nfs/dbraw/zinc/18/32/52/430183252.db2.gz COVHMTBBGSJQPX-GOSISDBHSA-N 2 0 312.498 2.972 20 0 DFADRP C[N@@H+]1CCCN(CCC[NH2+][C@H]2CCCc3sccc32)CC1 ZINC000361184623 277051494 /nfs/dbraw/zinc/05/14/94/277051494.db2.gz UMIPXGSQKJVJCG-INIZCTEOSA-N 2 0 307.507 2.743 20 0 DFADRP Nc1ccc(-c2cccc(C[N@@H+]3CCC[C@H](CC[NH3+])C3)n2)cc1 ZINC000634994130 430186700 /nfs/dbraw/zinc/18/67/00/430186700.db2.gz RNQPDPJRTVIRME-OAHLLOKOSA-N 2 0 310.445 2.892 20 0 DFADRP Nc1ccc(-c2cccc(C[NH2+][C@@H]3CC34CC[NH2+]CC4)n2)cc1 ZINC000634995969 430187064 /nfs/dbraw/zinc/18/70/64/430187064.db2.gz VENYAIZIEOZIBJ-GOSISDBHSA-N 2 0 308.429 2.563 20 0 DFADRP COC(=O)C[C@@H]1CC[C@@H]([NH2+]C2CC[NH+](C3CCC3)CC2)[C@@H]1C ZINC000354146605 277065229 /nfs/dbraw/zinc/06/52/29/277065229.db2.gz OUFVYLWCQGHZQZ-JKIFEVAISA-N 2 0 308.466 2.571 20 0 DFADRP C[N@@H+]1CCC[C@@H]2C[NH+](C[C@@H](O)c3ccc(Cl)cc3)CC[C@@H]21 ZINC000247971077 277069047 /nfs/dbraw/zinc/06/90/47/277069047.db2.gz JKORVIJPGZBFLN-HYVNUMGLSA-N 2 0 308.853 2.790 20 0 DFADRP CCO[C@@H]1C[C@H]([NH2+]Cc2cccc3c2CC[NH2+]C3)C12CCC2 ZINC000635007281 430194818 /nfs/dbraw/zinc/19/48/18/430194818.db2.gz CRVHIGQMRJCEAQ-ZWKOTPCHSA-N 2 0 300.446 2.770 20 0 DFADRP Brc1cccc2c1C[C@@H]1[C@@H]([NH2+]CC3CC[NH2+]CC3)[C@H]21 ZINC000634997245 430187990 /nfs/dbraw/zinc/18/79/90/430187990.db2.gz HEOXWOMYIAOXPQ-NUEKZKHPSA-N 2 0 321.262 2.676 20 0 DFADRP [NH3+]CC1CCC([NH2+][C@@H](CO)c2cccc(C(F)(F)F)c2)CC1 ZINC000634997959 430188519 /nfs/dbraw/zinc/18/85/19/430188519.db2.gz XFAJPIXSCXOQBR-KWCHVYNWSA-N 2 0 316.367 2.846 20 0 DFADRP CCCCOc1ccc(C[N@@H+]2C[C@H](C)[C@@H](C[NH3+])C2)cc1OC ZINC000635000237 430188977 /nfs/dbraw/zinc/18/89/77/430188977.db2.gz JYAGHONMXHIHEG-HOCLYGCPSA-N 2 0 306.450 2.901 20 0 DFADRP Cc1nn(-c2ccc(Cl)cc2)cc1C[N@H+]1C[C@@H](C)[C@@H](C[NH3+])C1 ZINC000634999003 430189059 /nfs/dbraw/zinc/18/90/59/430189059.db2.gz OLHLFSMCYSJXIS-OCCSQVGLSA-N 2 0 318.852 2.861 20 0 DFADRP Cc1nn(Cc2ccccc2)c(C)c1C[N@H+]1C[C@@H](C)[C@@H](C[NH3+])C1 ZINC000634999242 430189089 /nfs/dbraw/zinc/18/90/89/430189089.db2.gz RLGFVUYDXYYXRY-KDOFPFPSSA-N 2 0 312.461 2.575 20 0 DFADRP Cc1nn(-c2ccc(F)cc2)c(C)c1C[N@@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000634998310 430190145 /nfs/dbraw/zinc/19/01/45/430190145.db2.gz DBLPUJCUPODLMY-IUODEOHRSA-N 2 0 316.424 2.655 20 0 DFADRP COc1ccc(C[N@@H+]2C[C@@H](C)[C@@H](C[NH3+])C2)cc1OCC(C)C ZINC000634999537 430190301 /nfs/dbraw/zinc/19/03/01/430190301.db2.gz VWSJSQZXIYVQBA-ZBFHGGJFSA-N 2 0 306.450 2.757 20 0 DFADRP Cc1nn(Cc2ccccc2)c(C)c1C[N@@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000634999244 430190385 /nfs/dbraw/zinc/19/03/85/430190385.db2.gz RLGFVUYDXYYXRY-RDTXWAMCSA-N 2 0 312.461 2.575 20 0 DFADRP CCCOc1ccc(C[N@@H+]2C[C@H](C)[C@H](C[NH3+])C2)cc1OCC ZINC000635000640 430191017 /nfs/dbraw/zinc/19/10/17/430191017.db2.gz SCKFXEOOYJLEQO-GOEBONIOSA-N 2 0 306.450 2.901 20 0 DFADRP C[C@]1(c2ccccc2)CC[C@H]([NH+]2CCC([NH2+]CCO)CC2)C1 ZINC000635002479 430191468 /nfs/dbraw/zinc/19/14/68/430191468.db2.gz SAONTERJWWAISE-OALUTQOASA-N 2 0 302.462 2.543 20 0 DFADRP CCCOc1ccc(C[N@H+]2C[C@@H](C[NH3+])[C@H](C)C2)cc1OCC ZINC000635000639 430192020 /nfs/dbraw/zinc/19/20/20/430192020.db2.gz SCKFXEOOYJLEQO-GDBMZVCRSA-N 2 0 306.450 2.901 20 0 DFADRP C[C@@H](N[C@H](C[NH+](C)C)c1cccc(C(F)(F)F)c1)C1C[NH2+]C1 ZINC000635002979 430192228 /nfs/dbraw/zinc/19/22/28/430192228.db2.gz CVHMHLLSOFJXNY-IAQYHMDHSA-N 2 0 315.383 2.506 20 0 DFADRP C[C@@H](CC(=O)N(C)c1ccccc1)[NH2+][C@H]1CC[C@H](C[NH3+])CC1 ZINC000635004302 430193074 /nfs/dbraw/zinc/19/30/74/430193074.db2.gz CVYRPBXEQVUXEX-JYJNAYRXSA-N 2 0 303.450 2.535 20 0 DFADRP C[C@@H](Nc1cc(N2CC[NH2+]CC2)cc[nH+]1)c1cc(F)cc(F)c1 ZINC000635007970 430193404 /nfs/dbraw/zinc/19/34/04/430193404.db2.gz HRDVDUUKEUOXJN-GFCCVEGCSA-N 2 0 318.371 2.943 20 0 DFADRP CCc1cccnc1[C@@H](C)Nc1cc(N2CC[NH2+]CC2)cc[nH+]1 ZINC000635007667 430193882 /nfs/dbraw/zinc/19/38/82/430193882.db2.gz FYCOPPWIOQHRFV-CQSZACIVSA-N 2 0 311.433 2.622 20 0 DFADRP C[C@H](C[C@H](C)[NH3+])[NH2+][C@@H]1[C@H]2Cc3cc(Br)ccc3[C@@H]12 ZINC000635005070 430194271 /nfs/dbraw/zinc/19/42/71/430194271.db2.gz LQMCFOYVHNOHIV-TYWRASTISA-N 2 0 309.251 2.803 20 0 DFADRP C[N@@H+]1CC[C@H]([NH2+]C2CCN(c3nccs3)CC2)[C@H]2CCC[C@@H]21 ZINC000353587548 277169965 /nfs/dbraw/zinc/16/99/65/277169965.db2.gz ZXAZXTNHGSQZQL-PMPSAXMXSA-N 2 0 320.506 2.574 20 0 DFADRP COc1cccc(NC(=O)C[C@H](C)[NH2+][C@H]2CC[C@H](C[NH3+])CC2)c1 ZINC000635008318 430195199 /nfs/dbraw/zinc/19/51/99/430195199.db2.gz SQQUMWHMKWGWQW-KKUMJFAQSA-N 2 0 319.449 2.519 20 0 DFADRP CO[C@@H]1[C@H](C)[C@@H]([NH2+]Cc2cccc3c2CC[NH2+]C3)C12CCC2 ZINC000635008640 430195479 /nfs/dbraw/zinc/19/54/79/430195479.db2.gz FYCOSDUIWPVWQI-FSPWUOQZSA-N 2 0 300.446 2.626 20 0 DFADRP c1ccc([C@@H]2OCC[C@H]2C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000635012685 430195544 /nfs/dbraw/zinc/19/55/44/430195544.db2.gz NKVXGVIYXWYDBF-QTMHVTGLSA-N 2 0 300.446 2.742 20 0 DFADRP C[C@@H](Nc1cc(N2CC[NH2+]CC2)cc[nH+]1)c1ccc(F)cc1F ZINC000635008292 430195967 /nfs/dbraw/zinc/19/59/67/430195967.db2.gz IQEMSVTXILFQDX-GFCCVEGCSA-N 2 0 318.371 2.943 20 0 DFADRP C[C@@H]([NH2+][C@@H]1CC[NH2+]CC(C)(C)C1)c1ccc2c(c1)OCCO2 ZINC000635010171 430196006 /nfs/dbraw/zinc/19/60/06/430196006.db2.gz JBFUMIFJYNFJBS-UKRRQHHQSA-N 2 0 304.434 2.887 20 0 DFADRP Oc1ccc2c(c1)[C@H](Nc1cc(N3CC[NH2+]CC3)cc[nH+]1)CCC2 ZINC000635011294 430196078 /nfs/dbraw/zinc/19/60/78/430196078.db2.gz YWMCLKAEYXZMAY-GOSISDBHSA-N 2 0 324.428 2.686 20 0 DFADRP C[C@@H](Cc1cccs1)Nc1cc(N2CC[NH2+]CC2)cc[nH+]1 ZINC000635011297 430196177 /nfs/dbraw/zinc/19/61/77/430196177.db2.gz ZBSGZGSDXTUKJQ-ZDUSSCGKSA-N 2 0 302.447 2.596 20 0 DFADRP C[C@H]1CC[NH2+]CC[C@H]1[NH2+]C[C@@H]1CCO[C@H]1c1ccc(F)cc1 ZINC000635010741 430196301 /nfs/dbraw/zinc/19/63/01/430196301.db2.gz AWCDHULGJSWZMX-PLYYQAHHSA-N 2 0 306.425 2.881 20 0 DFADRP COc1ccc2c(c1)C[C@@H]([NH2+]Cc1cccc3c1CC[NH2+]C3)CC2 ZINC000635012014 430196413 /nfs/dbraw/zinc/19/64/13/430196413.db2.gz SKZYPLQCHCVAGP-IBGZPJMESA-N 2 0 322.452 2.988 20 0 DFADRP c1cc(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)c2c(c1)COCC2 ZINC000635011697 430196628 /nfs/dbraw/zinc/19/66/28/430196628.db2.gz GKQJXLMVJMWPQT-GUDVDZBRSA-N 2 0 300.446 2.770 20 0 DFADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]C[C@@H]1CCO[C@H]1c1ccc(F)cc1 ZINC000635010740 430196647 /nfs/dbraw/zinc/19/66/47/430196647.db2.gz AWCDHULGJSWZMX-KCMWZYNZSA-N 2 0 306.425 2.881 20 0 DFADRP C[C@@H]([NH2+][C@H]1CC[NH2+]CC(C)(C)C1)c1ccc(S(C)(=O)=O)cc1 ZINC000635010030 430196655 /nfs/dbraw/zinc/19/66/55/430196655.db2.gz IUSSLOZRWPSDRP-HIFRSBDPSA-N 2 0 324.490 2.519 20 0 DFADRP Cc1cc(N2CCC([NH2+][C@H](C)C[C@H]3CCCCC[NH2+]3)CC2)n[nH]1 ZINC000581304620 430197742 /nfs/dbraw/zinc/19/77/42/430197742.db2.gz RYSCIZXVMVPJKH-RHSMWYFYSA-N 2 0 319.497 2.587 20 0 DFADRP CC(C)(C)[C@H]([NH3+])C(=O)N1CCc2c1cccc2C[NH+]1CCCC1 ZINC000361711823 277248711 /nfs/dbraw/zinc/24/87/11/277248711.db2.gz WDBYEDZOQSSCPD-QGZVFWFLSA-N 2 0 315.461 2.545 20 0 DFADRP C[NH+](C)CC1(CNC(=O)Nc2ccc3c(c2)C[NH2+]C3)CCCC1 ZINC000581477159 430211848 /nfs/dbraw/zinc/21/18/48/430211848.db2.gz XYGZNQCDLBHXBJ-UHFFFAOYSA-N 2 0 316.449 2.533 20 0 DFADRP CCC[C@H](C[N@@H+]1CCCN(Cc2nccn2C(C)C)CC1)OC ZINC000638047050 430219657 /nfs/dbraw/zinc/21/96/57/430219657.db2.gz XBYYTFXMQKETOS-QGZVFWFLSA-N 2 0 322.497 2.787 20 0 DFADRP CC[NH2+][C@H](C)C(=O)NC[C@H](c1cccs1)[NH+]1CCC(C)CC1 ZINC000638049405 430219912 /nfs/dbraw/zinc/21/99/12/430219912.db2.gz DZDVSOYKGBCUTG-HUUCEWRRSA-N 2 0 323.506 2.635 20 0 DFADRP CC[NH2+][C@@H](C)C(=O)NCc1ccccc1C[NH+]1CCC(C)CC1 ZINC000638063336 430224252 /nfs/dbraw/zinc/22/42/52/430224252.db2.gz LRIIIIZEDGMGGN-INIZCTEOSA-N 2 0 317.477 2.533 20 0 DFADRP CC[NH2+][C@@H](C)C(=O)NCc1ccc(C[NH+]2CCC(C)CC2)cc1 ZINC000638063783 430224440 /nfs/dbraw/zinc/22/44/40/430224440.db2.gz PRFHCCMOKXGMLY-INIZCTEOSA-N 2 0 317.477 2.533 20 0 DFADRP CC(C)CC[C@H]([NH3+])C(=O)NCc1ccccc1C[N@H+](C)C(C)C ZINC000638062829 430224686 /nfs/dbraw/zinc/22/46/86/430224686.db2.gz IOMCGKDXOYOMST-SFHVURJKSA-N 2 0 319.493 2.907 20 0 DFADRP COc1cncc(/C=C/CC[N@@H+]2CC[C@]3(C2)CCC[NH+](C)C3)c1 ZINC000581486159 430214043 /nfs/dbraw/zinc/21/40/43/430214043.db2.gz YLERDUHIVVWRNX-MTGFJVSHSA-N 2 0 315.461 2.911 20 0 DFADRP C[NH+](C)Cc1cccc(NC(=O)[C@H]2CC[N@@H+]2C2CCCC2)c1 ZINC000635263846 430241849 /nfs/dbraw/zinc/24/18/49/430241849.db2.gz BWBAEPSOIGUGIW-QGZVFWFLSA-N 2 0 301.434 2.704 20 0 DFADRP CC[NH+](CC)CCO[C@@H]1CC[N@H+](CC2CCSCC2)C1 ZINC000638134684 430249292 /nfs/dbraw/zinc/24/92/92/430249292.db2.gz QADOUQLFTSFCHA-MRXNPFEDSA-N 2 0 300.512 2.562 20 0 DFADRP [NH3+]Cc1ccc(C[NH2+]Cc2cnc([C@@H]3CCCO3)s2)cc1 ZINC000566230105 430250041 /nfs/dbraw/zinc/25/00/41/430250041.db2.gz HYLZKTLQPDEYLJ-HNNXBMFYSA-N 2 0 303.431 2.743 20 0 DFADRP CO[C@]1(C[NH+]2CCC(CC[N@@H+]3CCCC[C@H]3C)CC2)CCOC1 ZINC000638154790 430253830 /nfs/dbraw/zinc/25/38/30/430253830.db2.gz UWHYVIUUBGKBKP-MJGOQNOKSA-N 2 0 324.509 2.768 20 0 DFADRP C[C@H](C(=O)Nc1ccc(C[N@@H+]2CCCC[C@@H]2C)cc1)[NH+](C)C ZINC000635345035 430256608 /nfs/dbraw/zinc/25/66/08/430256608.db2.gz JXIYHXJQAOHZIX-LSDHHAIUSA-N 2 0 303.450 2.950 20 0 DFADRP C[C@H](c1ccc([S@@](C)=O)cc1)[N@H+](C)CCCc1cncn1C ZINC000566414675 430257389 /nfs/dbraw/zinc/25/73/89/430257389.db2.gz SJWFODYNTVZTHU-JLCFBVMHSA-N 2 0 319.474 2.783 20 0 DFADRP CCN(C(=O)[C@@H](C)[NH+](C)C)[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000635404885 430269300 /nfs/dbraw/zinc/26/93/00/430269300.db2.gz JZYINQZVQYJOLG-LZLYRXPVSA-N 2 0 317.477 2.621 20 0 DFADRP CC(C)[NH+]1CCN([C@@H]2CC[N@@H+]([C@H](C)Cc3ccsc3)C2)CC1 ZINC000544023980 430269717 /nfs/dbraw/zinc/26/97/17/430269717.db2.gz QBVLYEGWSGDOIN-SJLPKXTDSA-N 2 0 321.534 2.779 20 0 DFADRP O=C(CCC1C[NH2+]C1)Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC000638080031 430229461 /nfs/dbraw/zinc/22/94/61/430229461.db2.gz XZSXDWAMSJXDKS-UHFFFAOYSA-N 2 0 315.461 2.653 20 0 DFADRP Cc1cc(C[NH3+])oc1C(=O)NCC(C)(C)[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000638084650 430230953 /nfs/dbraw/zinc/23/09/53/430230953.db2.gz UHWPGSZVXZHYOU-CHWSQXEVSA-N 2 0 321.465 2.533 20 0 DFADRP CC[NH2+][C@@H](C)C(=O)NCc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000638083631 430231303 /nfs/dbraw/zinc/23/13/03/430231303.db2.gz AUMSMVLQJALTOP-INIZCTEOSA-N 2 0 317.477 2.677 20 0 DFADRP CC[NH2+][C@@H](C)C(=O)Nc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000638087027 430232076 /nfs/dbraw/zinc/23/20/76/430232076.db2.gz MFNPJXWCLJJAMZ-HNNXBMFYSA-N 2 0 303.450 2.999 20 0 DFADRP [NH3+][C@H]1CCC[C@H]([NH2+]CCc2coc(-c3ccc(F)cc3)n2)C1 ZINC000565903515 430232247 /nfs/dbraw/zinc/23/22/47/430232247.db2.gz JDQAFYISWJJPDS-GJZGRUSLSA-N 2 0 303.381 2.883 20 0 DFADRP c1cn(CCCC2CCN(Cc3nnc(C4CC4)o3)CC2)cn1 ZINC000543061374 430234609 /nfs/dbraw/zinc/23/46/09/430234609.db2.gz KVIUXLDJULUWOQ-UHFFFAOYSA-N 2 0 315.421 2.836 20 0 DFADRP CC(C)CC[C@@H]([NH3+])C(=O)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000638102398 430237014 /nfs/dbraw/zinc/23/70/14/430237014.db2.gz USILEIWAAZRBHM-QZTJIDSGSA-N 2 0 323.525 2.865 20 0 DFADRP CC(C)CC[C@H]([NH3+])C(=O)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000638102393 430237679 /nfs/dbraw/zinc/23/76/79/430237679.db2.gz USILEIWAAZRBHM-MSOLQXFVSA-N 2 0 323.525 2.865 20 0 DFADRP CC[NH2+][C@@H](C)C(=O)NCC1([NH2+][C@H](C)c2ccccc2)CCCC1 ZINC000638110214 430238450 /nfs/dbraw/zinc/23/84/50/430238450.db2.gz CFYYJWDZEQWJGQ-CVEARBPZSA-N 2 0 317.477 2.764 20 0 DFADRP CN(CC[C@H]1CCCC[N@@H+]1C)Cc1ccnn1CC1CCC1 ZINC000638118873 430240658 /nfs/dbraw/zinc/24/06/58/430240658.db2.gz YZLOEQMSHGJGIL-QGZVFWFLSA-N 2 0 304.482 2.989 20 0 DFADRP CC(C)[N@@H+]1CCCC[C@H]1Cn1cc([C@@H]([NH3+])c2ccccc2)nn1 ZINC000641169112 430350010 /nfs/dbraw/zinc/35/00/10/430350010.db2.gz KCGORHLDXLUZJG-WMZOPIPTSA-N 2 0 313.449 2.589 20 0 DFADRP C[C@@H]([NH2+]C(C)(C)CNC(=O)C[C@H]1CC[N@H+](C)C1)c1ccccc1 ZINC000635493978 430291381 /nfs/dbraw/zinc/29/13/81/430291381.db2.gz GAAFZKDAEOQPIM-HZPDHXFCSA-N 2 0 317.477 2.574 20 0 DFADRP CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)[C@@H]([NH3+])CCC(C)C ZINC000638273972 430292343 /nfs/dbraw/zinc/29/23/43/430292343.db2.gz DZPCZBFVYZWUHT-SFHVURJKSA-N 2 0 319.493 2.860 20 0 DFADRP CC[NH+](CC)Cc1ccc(C[NH2+]CCCc2cnn(C)c2)cc1 ZINC000638308913 430300771 /nfs/dbraw/zinc/30/07/71/430300771.db2.gz XBVVWWMBWCIPFM-UHFFFAOYSA-N 2 0 314.477 2.984 20 0 DFADRP O=C(NCCCCC[NH+]1CCCCC1)[C@H]1CC[N@@H+]1C1CCCC1 ZINC000635546519 430305201 /nfs/dbraw/zinc/30/52/01/430305201.db2.gz APAAYMWYKFAOCI-GOSISDBHSA-N 2 0 321.509 2.776 20 0 DFADRP CCC1([NH+](C)C)CCN(C(=O)CC[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000641036906 430309045 /nfs/dbraw/zinc/30/90/45/430309045.db2.gz NQPXKYHHGGROFP-INIZCTEOSA-N 2 0 309.498 2.584 20 0 DFADRP CC(C)(O)C[NH+]1CCC([NH2+][C@H]2CCC[C@@H](C(F)(F)F)C2)CC1 ZINC000638346955 430311133 /nfs/dbraw/zinc/31/11/33/430311133.db2.gz IPLQGAPESSMQOV-OCCSQVGLSA-N 2 0 322.415 2.932 20 0 DFADRP C[NH+](C)C[C@@H]1CCCCN1C(=O)CC[N@H+](C)C1CCCCC1 ZINC000545310116 430314433 /nfs/dbraw/zinc/31/44/33/430314433.db2.gz OREZHOILTBMEPP-KRWDZBQOSA-N 2 0 309.498 2.584 20 0 DFADRP CC(C)[C@@H](C[NH2+][C@@H](C)C[C@@H]1CCCC(=O)N1)[NH+]1CCC(C)CC1 ZINC000638361712 430316945 /nfs/dbraw/zinc/31/69/45/430316945.db2.gz RKVJUSBKIUHIKT-OKZBNKHCSA-N 2 0 323.525 2.780 20 0 DFADRP C[C@H](C[C@H]1CCCC(=O)N1)[NH2+]CCCC[N@@H+]1CCCC[C@@H]1C ZINC000638365083 430318797 /nfs/dbraw/zinc/31/87/97/430318797.db2.gz APRWZTBGFJVUPK-IXDOHACOSA-N 2 0 309.498 2.678 20 0 DFADRP C[C@@]1(C[NH2+]CCCC[NH+]2CCOCC2)C[C@H]1c1ccccc1 ZINC000638371425 430320366 /nfs/dbraw/zinc/32/03/66/430320366.db2.gz RPMBKNONRSQYFJ-OALUTQOASA-N 2 0 302.462 2.882 20 0 DFADRP CC[N@H+](C)C[C@H](O)CN[C@@H](c1ccccc1)c1ccc(F)cc1 ZINC000568164481 430322018 /nfs/dbraw/zinc/32/20/18/430322018.db2.gz RCTOWSDTNKUVFD-MOPGFXCFSA-N 2 0 316.420 2.817 20 0 DFADRP C[C@@H]1CCCC[N@@H+]1CCC1CCN(C(=O)C2=CC[C@@H]([NH3+])C2)CC1 ZINC000638378952 430323538 /nfs/dbraw/zinc/32/35/38/430323538.db2.gz UJFWXXRYEBYMJU-CRAIPNDOSA-N 2 0 319.493 2.537 20 0 DFADRP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+]1CCCC[C@H]1C[C@@H](C)O ZINC000568177758 430324760 /nfs/dbraw/zinc/32/47/60/430324760.db2.gz NZNHRAISFGFYEQ-KDOFPFPSSA-N 2 0 314.433 2.701 20 0 DFADRP CC[NH2+][C@@H](C)C(=O)Nc1ccc(SCC[NH+]2CCCC2)cc1 ZINC000638389318 430327174 /nfs/dbraw/zinc/32/71/74/430327174.db2.gz FHBFVVGETVHSMB-AWEZNQCLSA-N 2 0 321.490 2.811 20 0 DFADRP C[C@H](Cc1ccccc1F)[NH2+]C1CC[NH+](CC(C)(C)O)CC1 ZINC000638405457 430332441 /nfs/dbraw/zinc/33/24/41/430332441.db2.gz ZVKUHZSSRWNKQO-CQSZACIVSA-N 2 0 308.441 2.582 20 0 DFADRP C[NH+](C)C1CC(N[C@@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)C1 ZINC000568240093 430337855 /nfs/dbraw/zinc/33/78/55/430337855.db2.gz XNFRCBGUBZGWBW-LMDPOFIKSA-N 2 0 313.489 2.866 20 0 DFADRP CCC[N@H+](CC)Cc1ccc(C(=O)NCC2CC[NH2+]CC2)cc1 ZINC000582963467 430351442 /nfs/dbraw/zinc/35/14/42/430351442.db2.gz RWHLWDUSBKPYEN-UHFFFAOYSA-N 2 0 317.477 2.648 20 0 DFADRP Cc1ccc(CC[NH2+]C2CC[NH+](CC(C)(C)O)CC2)c(C)c1 ZINC000638440049 430343494 /nfs/dbraw/zinc/34/34/94/430343494.db2.gz KKBBHFMWRUFWIF-UHFFFAOYSA-N 2 0 304.478 2.671 20 0 DFADRP C[C@@H](CCN1CC[NH+](C)CC1)[NH2+][C@H]1CCCc2cc(F)ccc21 ZINC000186586153 277564230 /nfs/dbraw/zinc/56/42/30/277564230.db2.gz BBHBNBKWPJWJNR-KXBFYZLASA-N 2 0 319.468 2.819 20 0 DFADRP C[C@H](C[C@H]1CCCC(=O)N1)[NH2+]C1CC[NH+](CC2CCCC2)CC1 ZINC000638454715 430348030 /nfs/dbraw/zinc/34/80/30/430348030.db2.gz NIYKXZBXTYSOMG-CRAIPNDOSA-N 2 0 321.509 2.678 20 0 DFADRP CO[C@H](C[NH2+]CC1CC[NH+](Cc2cccs2)CC1)C1CC1 ZINC000638456508 430348470 /nfs/dbraw/zinc/34/84/70/430348470.db2.gz MGTGBGBOLNNYRW-QGZVFWFLSA-N 2 0 308.491 2.975 20 0 DFADRP C[N@H+](CCC(=O)NCC[NH+]1CCCC(C)(C)C1)C1CCCCC1 ZINC000547735719 430416992 /nfs/dbraw/zinc/41/69/92/430416992.db2.gz KFVAUSUZZLXKFF-UHFFFAOYSA-N 2 0 323.525 2.879 20 0 DFADRP CO[C@H](C[NH2+]C[C@@H]1CC[N@H+](CCc2ccccc2)C1)C1CC1 ZINC000638521656 430366479 /nfs/dbraw/zinc/36/64/79/430366479.db2.gz NPEYHMQIANXLJW-PKOBYXMFSA-N 2 0 302.462 2.566 20 0 DFADRP Cn1cc(CCC[NH2+]C[C@H]2CCC[N@@H+]2CC2CCCCC2)cn1 ZINC000638522590 430367076 /nfs/dbraw/zinc/36/70/76/430367076.db2.gz TZMKLYPGSGWTKU-LJQANCHMSA-N 2 0 318.509 2.987 20 0 DFADRP C[C@H](C[C@@H]1CCCC(=O)N1)[NH2+]CCCCC[NH+]1CCCCC1 ZINC000638527942 430368800 /nfs/dbraw/zinc/36/88/00/430368800.db2.gz PCIRUCLJNMEYSF-SJORKVTESA-N 2 0 309.498 2.680 20 0 DFADRP CC1=C(C)C[C@H]([C@H](C)[NH2+]C[C@@H](C)CN2CC[NH+](C)CC2)CC1 ZINC000638555900 430375486 /nfs/dbraw/zinc/37/54/86/430375486.db2.gz ZROBTVUWRQMRBK-AYOQOUSVSA-N 2 0 307.526 2.985 20 0 DFADRP CC[N@H+](C)Cc1cccc(C[NH2+]C[C@H](OC)C2CCOCC2)c1 ZINC000638563177 430376976 /nfs/dbraw/zinc/37/69/76/430376976.db2.gz IXNPHUTYFGWONM-IBGZPJMESA-N 2 0 320.477 2.670 20 0 DFADRP C[C@H]([NH2+][C@@H]1CCN(C2CC[NH+](C)CC2)C1)[C@@H]1CC2CCC1CC2 ZINC000638587428 430382035 /nfs/dbraw/zinc/38/20/35/430382035.db2.gz CMIUJHUIXROJNK-CEHXIPJPSA-N 2 0 319.537 2.959 20 0 DFADRP C[C@@H](C[NH2+][C@@H]1CCN(C2CC[NH+](C)CC2)C1)C1CCCCC1 ZINC000638588790 430383875 /nfs/dbraw/zinc/38/38/75/430383875.db2.gz NRANZITZUDZQIQ-FUHWJXTLSA-N 2 0 307.526 2.961 20 0 DFADRP C[NH+](C)Cc1ccc(C[NH2+]C[C@H](O)Cc2ccccc2)cc1F ZINC000568741390 430388158 /nfs/dbraw/zinc/38/81/58/430388158.db2.gz SPOKICQPJSUESD-GOSISDBHSA-N 2 0 316.420 2.581 20 0 DFADRP CC(C)[NH+]1CCC(NC(=O)CC[N@H+](C)C2CCCCC2)CC1 ZINC000547430773 430392072 /nfs/dbraw/zinc/39/20/72/430392072.db2.gz KKRXITUCMZAYOH-UHFFFAOYSA-N 2 0 309.498 2.630 20 0 DFADRP Cc1ccccc1[C@H]([C@@H](C)NC(=O)[C@@H]1CCCC[N@@H+]1C)[NH+](C)C ZINC000635851138 430393537 /nfs/dbraw/zinc/39/35/37/430393537.db2.gz RDTZYOUKQVMHLQ-NJAFHUGGSA-N 2 0 317.477 2.587 20 0 DFADRP CCC(C)(C)[NH2+][C@@H](C)C(=O)N1CCC(C[N@H+](C)C(C)C)CC1 ZINC000547469656 430396744 /nfs/dbraw/zinc/39/67/44/430396744.db2.gz WRIJJBKREYDVNC-HNNXBMFYSA-N 2 0 311.514 2.732 20 0 DFADRP CCC[N@H+](CC)Cc1ccc(C(=O)N[C@@H]2CC[C@@H](C)[NH2+]C2)cc1 ZINC000638644029 430399198 /nfs/dbraw/zinc/39/91/98/430399198.db2.gz NXQIGDKUVXFBTH-CRAIPNDOSA-N 2 0 317.477 2.789 20 0 DFADRP Cc1ccc(C[C@H](C)[NH2+]C2CC[NH+](CC(C)(C)O)CC2)s1 ZINC000638660719 430403083 /nfs/dbraw/zinc/40/30/83/430403083.db2.gz ULTLDQIGGBOWAV-ZDUSSCGKSA-N 2 0 310.507 2.812 20 0 DFADRP C[C@@H]1C[N@@H+](CCCC[NH2+]Cc2nc3ccccc3o2)C[C@H](C)O1 ZINC000638682444 430407609 /nfs/dbraw/zinc/40/76/09/430407609.db2.gz WUJLJFIAHMGFHV-GASCZTMLSA-N 2 0 317.433 2.807 20 0 DFADRP CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)CC[C@H]([NH3+])c1ccccc1 ZINC000569249187 430436630 /nfs/dbraw/zinc/43/66/30/430436630.db2.gz WZSOJBSTCOCHFK-ROUUACIJSA-N 2 0 317.477 2.799 20 0 DFADRP CC(C)(O)C[NH+]1CCC([NH2+]CC2(C)Cc3ccccc3C2)CC1 ZINC000638799698 430436884 /nfs/dbraw/zinc/43/68/84/430436884.db2.gz FPTJGQRIEJKASO-UHFFFAOYSA-N 2 0 316.489 2.616 20 0 DFADRP C[C@H](CNC(=O)CC[N@H+](C)C1CCCCC1)[NH+]1CCC[C@@H](C)C1 ZINC000548061032 430443330 /nfs/dbraw/zinc/44/33/30/430443330.db2.gz PFVSOGDKBFHUOX-IAGOWNOFSA-N 2 0 323.525 2.878 20 0 DFADRP C[C@@H]1CC(C)(C)C[C@@H]1[NH2+]Cc1cccnc1N1CC[NH+](C)CC1 ZINC000193127141 277664733 /nfs/dbraw/zinc/66/47/33/277664733.db2.gz PWHHXEMAEZAFHZ-WBVHZDCISA-N 2 0 316.493 2.748 20 0 DFADRP C[C@H]([NH3+])[C@H]1COCC[C@@H]1[NH2+]Cc1ccc(-c2ccncc2)cc1 ZINC000569330363 430444710 /nfs/dbraw/zinc/44/47/10/430444710.db2.gz SKLVECSFUZQBQR-KYNGSXCRSA-N 2 0 311.429 2.591 20 0 DFADRP C[C@@H]([N@H+](C)CC(=O)NC[C@H](c1ccccc1)[NH+](C)C)C(C)(C)C ZINC000548113908 430447629 /nfs/dbraw/zinc/44/76/29/430447629.db2.gz OJPJQCYENZDPIN-NVXWUHKLSA-N 2 0 319.493 2.772 20 0 DFADRP Nc1cnccc1C[NH2+]Cc1ccccc1C[NH+]1CCCCC1 ZINC000641707186 430447770 /nfs/dbraw/zinc/44/77/70/430447770.db2.gz IBRWQMRTWGBSFG-UHFFFAOYSA-N 2 0 310.445 2.940 20 0 DFADRP CCc1ccccc1[C@@H]([NH3+])CNC(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC000569360886 430448441 /nfs/dbraw/zinc/44/84/41/430448441.db2.gz YROWNSLJVVMWJN-ZWKOTPCHSA-N 2 0 317.477 2.628 20 0 DFADRP C[NH+](C)Cc1ccc(NC(=O)[C@H]2CCCCCC[C@H]2[NH3+])cc1 ZINC000583992026 430448521 /nfs/dbraw/zinc/44/85/21/430448521.db2.gz KSARFHZCLFOZNI-DLBZAZTESA-N 2 0 303.450 2.984 20 0 DFADRP C[N@@H+]1CCN(CC[NH2+]Cc2ccc(C(F)F)cc2)CC1(C)C ZINC000569422451 430452182 /nfs/dbraw/zinc/45/21/82/430452182.db2.gz AVLNRBXRZWHQMV-UHFFFAOYSA-N 2 0 311.420 2.740 20 0 DFADRP CN(C(=O)CC[C@@H]([NH3+])CC1CCCCC1)[C@@H]1C[NH+]2CCC1CC2 ZINC000638853442 430456682 /nfs/dbraw/zinc/45/66/82/430456682.db2.gz GSPJSOAENQANCW-QZTJIDSGSA-N 2 0 321.509 2.617 20 0 DFADRP CCC1([NH+]2CCCC2)CCN(C(=O)[C@H]2CCCC[C@@]2(C)[NH3+])CC1 ZINC000638862375 430459223 /nfs/dbraw/zinc/45/92/23/430459223.db2.gz UIKMYVHLXBSRRN-SJLPKXTDSA-N 2 0 321.509 2.761 20 0 DFADRP CCC1([NH+]2CCCC2)CCN(C(=O)[C@H]([NH3+])c2ccccc2)CC1 ZINC000638862215 430459767 /nfs/dbraw/zinc/45/97/67/430459767.db2.gz OCGDBBJYKXVONF-QGZVFWFLSA-N 2 0 315.461 2.553 20 0 DFADRP c1cc2cc(C[NH2+]C3CC[NH+](C[C@H]4CCOC4)CC3)ccc2[nH]1 ZINC000584207544 430468983 /nfs/dbraw/zinc/46/89/83/430468983.db2.gz KOHIPQYCZYHXLW-MRXNPFEDSA-N 2 0 313.445 2.758 20 0 DFADRP CC[N@@H+]1CC[C@@H](N(C)C(=O)CC[NH+](C)C2CCCCC2)C[C@@H]1C ZINC000548389173 430469139 /nfs/dbraw/zinc/46/91/39/430469139.db2.gz BYNNPKWZUSCJAS-FUHWJXTLSA-N 2 0 323.525 2.972 20 0 DFADRP C[N@H+](CCC(=O)N1CCC[C@@H]2C[NH+](C)CC[C@@H]21)C1CCCCC1 ZINC000548393079 430469232 /nfs/dbraw/zinc/46/92/32/430469232.db2.gz KNXUMFBEIWQEPX-AEFFLSMTSA-N 2 0 321.509 2.584 20 0 DFADRP CC[N@@H+]1CC[C@H](N(C)C(=O)CC[NH+](C)C2CCCCC2)C[C@@H]1C ZINC000548389175 430469930 /nfs/dbraw/zinc/46/99/30/430469930.db2.gz BYNNPKWZUSCJAS-WMZOPIPTSA-N 2 0 323.525 2.972 20 0 DFADRP CC1(C)[C@H]([NH3+])C[C@H]1[NH2+]CCOc1ccccc1C(F)(F)F ZINC000641802808 430476763 /nfs/dbraw/zinc/47/67/63/430476763.db2.gz PHAXOYOGFYKWHE-CHWSQXEVSA-N 2 0 302.340 2.800 20 0 DFADRP CC1(C)[C@H]([NH3+])C[C@H]1[NH2+]Cc1cccc(OCC(F)(F)F)c1 ZINC000641806416 430478226 /nfs/dbraw/zinc/47/82/26/430478226.db2.gz PIEFITASHPEKFP-CHWSQXEVSA-N 2 0 302.340 2.843 20 0 DFADRP C[C@@H]([NH3+])c1ccc(CNC(=O)c2ccc(C[NH+](C)C)cc2)cc1 ZINC000569691783 430479358 /nfs/dbraw/zinc/47/93/58/430479358.db2.gz RAGBIGSNCPKJSN-CQSZACIVSA-N 2 0 311.429 2.698 20 0 DFADRP O[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]C[C@@H]2CC[C@H]3C[C@H]3C2)CC1 ZINC000638747135 430422794 /nfs/dbraw/zinc/42/27/94/430422794.db2.gz AXYJMNFDYXHOJH-NZKYLMMGSA-N 2 0 306.494 2.780 20 0 DFADRP Cc1ccc(CC[NH2+]C2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)cc1 ZINC000638751730 430423695 /nfs/dbraw/zinc/42/36/95/430423695.db2.gz SKMNPFMGZRPNGU-UXHICEINSA-N 2 0 316.489 2.895 20 0 DFADRP C[C@@H](CN1CCC(C)CC1)[NH2+]C1CCN(c2ccccn2)CC1 ZINC000569123799 430426876 /nfs/dbraw/zinc/42/68/76/430426876.db2.gz XQQCIIPNWRKKAD-KRWDZBQOSA-N 2 0 316.493 2.760 20 0 DFADRP CC1(C)[C@H]([NH2+]CCC(=O)Nc2cccc3ccccc32)C[C@@H]1[NH3+] ZINC000641808933 430480489 /nfs/dbraw/zinc/48/04/89/430480489.db2.gz VCLPGSPQPBLOFO-DLBZAZTESA-N 2 0 311.429 2.884 20 0 DFADRP CC[C@@](C)(C[NH+]1CCC(CCC[NH+]2CCOCC2)CC1)OC ZINC000638961350 430482914 /nfs/dbraw/zinc/48/29/14/430482914.db2.gz TVUFBUWUWMRIHS-SFHVURJKSA-N 2 0 312.498 2.626 20 0 DFADRP Cc1cccc([C@@H](C)C(=O)Nc2cc(N3CC[NH2+]CC3)cc[nH+]2)c1 ZINC000638986563 430487855 /nfs/dbraw/zinc/48/78/55/430487855.db2.gz UCLPVSCGPPMIKW-OAHLLOKOSA-N 2 0 324.428 2.542 20 0 DFADRP CCC(CC)[C@H](C)C(=O)Nc1cc(N2CC[NH2+]CC2)cc[nH+]1 ZINC000638983597 430488910 /nfs/dbraw/zinc/48/89/10/430488910.db2.gz CNFJSTPXPXSQMZ-ZDUSSCGKSA-N 2 0 304.438 2.502 20 0 DFADRP [NH3+]CC1(NC(=O)c2ccc(Nc3cc[nH+]cc3)cc2)CCCCC1 ZINC000638996942 430490760 /nfs/dbraw/zinc/49/07/60/430490760.db2.gz RCUVBFFELTUYBE-UHFFFAOYSA-N 2 0 324.428 2.639 20 0 DFADRP CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)CC[NH+](C)C1CCCCC1 ZINC000548716641 430494863 /nfs/dbraw/zinc/49/48/63/430494863.db2.gz QMOPNOZQSLINMU-WMZOPIPTSA-N 2 0 321.509 2.726 20 0 DFADRP O=C(NC[C@H]1CC[N@@H+]1C1CCCCC1)[C@H]1CC[NH+]1C1CCCC1 ZINC000636253716 430497021 /nfs/dbraw/zinc/49/70/21/430497021.db2.gz ONBSACBVHRDOCY-QZTJIDSGSA-N 2 0 319.493 2.527 20 0 DFADRP CCC[N@H+](CC)Cc1ccc(C(=O)N[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC000639040351 430498844 /nfs/dbraw/zinc/49/88/44/430498844.db2.gz ADIMLWYUGDIIRR-IYARVYRRSA-N 2 0 317.477 2.918 20 0 DFADRP CC(C)[NH+]1CCC(C(=O)N2CC[C@@H](C[NH3+])c3ccccc32)CC1 ZINC000639064067 430509659 /nfs/dbraw/zinc/50/96/59/430509659.db2.gz BYBHOPPEPBNIMW-INIZCTEOSA-N 2 0 315.461 2.586 20 0 DFADRP CO[C@H](C[NH2+]C(C)(C)CC[NH+]1CCCCCC1)[C@H]1CCOC1 ZINC000639067447 430511302 /nfs/dbraw/zinc/51/13/02/430511302.db2.gz XRNVTXACBAVMSZ-DLBZAZTESA-N 2 0 312.498 2.672 20 0 DFADRP COc1cc2c(cc1OC)[C@@H]([N@H+](C)C[C@H]1CC[NH+](C)C1)CC2 ZINC000639082383 430517893 /nfs/dbraw/zinc/51/78/93/430517893.db2.gz ZMTLFODOOWULBK-BBRMVZONSA-N 2 0 304.434 2.575 20 0 DFADRP CC[NH+](CC)Cc1ccc(C(=O)N[C@H](CC(C)C)C[NH+](C)C)o1 ZINC000642676411 430525649 /nfs/dbraw/zinc/52/56/49/430525649.db2.gz WWADCUGMKYVYKJ-OAHLLOKOSA-N 2 0 323.481 2.828 20 0 DFADRP C[NH+](C)[C@@H]1CCC[N@H+](C[C@@H]2CCN(c3ccccc3)C2)CC1 ZINC000639106188 430526949 /nfs/dbraw/zinc/52/69/49/430526949.db2.gz WXDHGZMETXSQEI-ZWKOTPCHSA-N 2 0 301.478 2.929 20 0 DFADRP C[N@@H+]1CCCC[C@H]1CN1CC[NH+]([C@H]2C=CCCCCC2)CC1 ZINC000549822691 430532247 /nfs/dbraw/zinc/53/22/47/430532247.db2.gz WNGNOAIPVXJVEY-OALUTQOASA-N 2 0 305.510 2.977 20 0 DFADRP COc1cncc(C[N@@H+]2CC[C@@H](C3CC[NH+](C)CC3)C2)c1C ZINC000639177330 430554805 /nfs/dbraw/zinc/55/48/05/430554805.db2.gz RUQLJRALFJVWJM-MRXNPFEDSA-N 2 0 303.450 2.562 20 0 DFADRP Cn1ccnc1[C@H](C1CC1)[N@@H+]1CC[C@@H](C2CC[NH+](C)CC2)C1 ZINC000639176583 430554917 /nfs/dbraw/zinc/55/49/17/430554917.db2.gz HVCGXSNCFMCGBT-SJORKVTESA-N 2 0 302.466 2.535 20 0 DFADRP CC(C)Cc1noc(CN2CCC(C[N@H+](C)C(C)C)CC2)n1 ZINC000570588746 430555918 /nfs/dbraw/zinc/55/59/18/430555918.db2.gz DVZCXZDEZRKIQT-UHFFFAOYSA-N 2 0 308.470 2.820 20 0 DFADRP Cc1ncc([C@H](C)[N@@H+]2CC[C@@H](C3CC[NH+](C)CC3)C2)c(C)n1 ZINC000639177354 430556108 /nfs/dbraw/zinc/55/61/08/430556108.db2.gz SHGPUKJZZBTCEM-WMLDXEAASA-N 2 0 302.466 2.818 20 0 DFADRP C[NH+]1CCC([C@@H]2CC[N@H+](Cc3ccc4nccnc4c3)C2)CC1 ZINC000639177625 430557544 /nfs/dbraw/zinc/55/75/44/430557544.db2.gz WLHULHQRQWJIKQ-QGZVFWFLSA-N 2 0 310.445 2.794 20 0 DFADRP C[NH+]1CCC([C@H]2CC[N@H+](Cc3ccc4nccnc4c3)C2)CC1 ZINC000639177623 430558814 /nfs/dbraw/zinc/55/88/14/430558814.db2.gz WLHULHQRQWJIKQ-KRWDZBQOSA-N 2 0 310.445 2.794 20 0 DFADRP C[NH+](C)CCCOc1cnccc1C[NH2+]C[C@@H]1C[C@H]2C[C@H]2C1 ZINC000639186222 430562128 /nfs/dbraw/zinc/56/21/28/430562128.db2.gz ZAJGOZDYDFVENS-ACHSLPGTSA-N 2 0 303.450 2.548 20 0 DFADRP C[C@H]([NH2+]C(C)(C)CNC(=O)C[C@H]1CCC[NH2+]C1)c1ccccc1 ZINC000570738808 430572822 /nfs/dbraw/zinc/57/28/22/430572822.db2.gz FBVHDIXNMIVYKY-JKSUJKDBSA-N 2 0 317.477 2.622 20 0 DFADRP [NH3+]C[C@@H]1CCC[C@H]1[NH2+]C[C@@H]1CCN(c2ccc(F)c(F)c2)C1 ZINC000643453174 430602591 /nfs/dbraw/zinc/60/25/91/430602591.db2.gz LTZXPIMNOOHGKV-GDZNZVCISA-N 2 0 309.404 2.508 20 0 DFADRP Cc1cc(C[NH2+]Cc2ccc(OCC[NH+](C)C)cc2)cc(C)n1 ZINC000643293883 430574527 /nfs/dbraw/zinc/57/45/27/430574527.db2.gz QZUZIRWABLDGNP-UHFFFAOYSA-N 2 0 313.445 2.929 20 0 DFADRP C[C@@H]1CCC[N@@H+](C(C)(C)CN[C@@H]2CC[NH+](C)[C@@H]3CCC[C@@H]32)C1 ZINC000552047817 430580558 /nfs/dbraw/zinc/58/05/58/430580558.db2.gz ZTFANYIMHBFQTJ-BRSBDYLESA-N 2 0 307.526 2.959 20 0 DFADRP C[C@@H](CN[C@@H]1CC[N@H+](C2CC2)[C@H](c2ccccc2)C1)[NH+](C)C ZINC000639233941 430581669 /nfs/dbraw/zinc/58/16/69/430581669.db2.gz YZRAWBIDCTYJJM-WDYCEAGBSA-N 2 0 301.478 2.894 20 0 DFADRP C[C@@H]1CCC[N@@H+](C(C)(C)CN[C@@H]2CC[NH+](C)[C@@H]3CCC[C@H]32)C1 ZINC000552047820 430581675 /nfs/dbraw/zinc/58/16/75/430581675.db2.gz ZTFANYIMHBFQTJ-XMTFNYHQSA-N 2 0 307.526 2.959 20 0 DFADRP COc1ccc2[nH]cc(CC[NH2+][C@H]3CC[NH2+]CC[C@@H]3C)c2c1 ZINC000643453906 430601909 /nfs/dbraw/zinc/60/19/09/430601909.db2.gz HACJMPCPGGYYFE-GUYCJALGSA-N 2 0 301.434 2.697 20 0 DFADRP COc1ccc2[nH]cc(CC[NH2+][C@@H]3CC[NH2+]CC[C@H]3C)c2c1 ZINC000643453904 430601971 /nfs/dbraw/zinc/60/19/71/430601971.db2.gz HACJMPCPGGYYFE-CXAGYDPISA-N 2 0 301.434 2.697 20 0 DFADRP OC1(C[NH2+]C[C@@H]2C[C@H]3C[C@H]3C2)CC[NH+](Cc2ccccc2)CC1 ZINC000639264401 430591139 /nfs/dbraw/zinc/59/11/39/430591139.db2.gz CPOPXXGDVHAOQE-REPLKXPHSA-N 2 0 314.473 2.649 20 0 DFADRP CN1CC[C@@H](C[NH2+]CC(C)(C)O)[C@H]1c1ccc(Cl)c(F)c1 ZINC000570956090 430592813 /nfs/dbraw/zinc/59/28/13/430592813.db2.gz RZNBGTCHXMZDII-SWLSCSKDSA-N 2 0 314.832 2.832 20 0 DFADRP CC1=CCC[C@H](C)[C@@H]1C[NH2+]CC(=O)NCC[NH+]1CCCCCC1 ZINC000552279558 430592945 /nfs/dbraw/zinc/59/29/45/430592945.db2.gz RYNLGUWEHINCET-ZWKOTPCHSA-N 2 0 321.509 2.561 20 0 DFADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)c1cccc(C(C)(C)C)c1 ZINC000570983602 430594369 /nfs/dbraw/zinc/59/43/69/430594369.db2.gz NUNMDXXSMQITDY-UHFFFAOYSA-N 2 0 319.493 2.550 20 0 DFADRP C[NH+](C)CC1(C(=O)NCC(C)(C)[NH+]2CCCCC2)CCCCC1 ZINC000570985429 430594423 /nfs/dbraw/zinc/59/44/23/430594423.db2.gz GCMHRRIWGVWNEP-UHFFFAOYSA-N 2 0 323.525 2.879 20 0 DFADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]C[C@@H]1CCN(c2ccc(F)c(F)c2)C1 ZINC000643453212 430602307 /nfs/dbraw/zinc/60/23/07/430602307.db2.gz OXZKIMLVGRIBLE-QWQRMKEZSA-N 2 0 323.431 2.769 20 0 DFADRP CC[C@@H](C)[C@H](C[NH2+]CC1CC[NH+](C2CCOCC2)CC1)OC ZINC000639303958 430602447 /nfs/dbraw/zinc/60/24/47/430602447.db2.gz PRKIMDZLXHCXAG-QAPCUYQASA-N 2 0 312.498 2.528 20 0 DFADRP Fc1ccc(N2CC[C@@H](C[NH2+]C3C[C@H]4CC[C@@H](C3)[NH2+]4)C2)cc1F ZINC000643453065 430602436 /nfs/dbraw/zinc/60/24/36/430602436.db2.gz FLORCAKHEXWREI-RDGKXADDSA-N 2 0 321.415 2.664 20 0 DFADRP C[C@@H](N[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C)[C@H]1CCC[NH2+]C1 ZINC000570440272 430542590 /nfs/dbraw/zinc/54/25/90/430542590.db2.gz ASPMXINCMRUWDB-JYBIWHBTSA-N 2 0 315.505 2.875 20 0 DFADRP [NH3+]C1CCC([NH2+]C[C@H]2CCN(c3ccc(F)c(F)c3)C2)CC1 ZINC000643453295 430602519 /nfs/dbraw/zinc/60/25/19/430602519.db2.gz ZDUINEFOIFYYBN-IYXRBSQSSA-N 2 0 309.404 2.651 20 0 DFADRP CO[C@H](C[NH2+]Cc1ccc(OC2CC[NH+](C)CC2)cc1)C1CC1 ZINC000639149479 430544063 /nfs/dbraw/zinc/54/40/63/430544063.db2.gz PWQIVHVSLXOTKQ-LJQANCHMSA-N 2 0 318.461 2.674 20 0 DFADRP Cc1ccccc1OC[C@H](O)C[NH2+]C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000550721924 430544769 /nfs/dbraw/zinc/54/47/69/430544769.db2.gz SDFXSLLUBBHBTF-MRXNPFEDSA-N 2 0 320.477 2.634 20 0 DFADRP Cc1cc(C[NH+](C)C)cc(NC(=O)[C@@H]2[NH2+]CCc3ccccc32)c1 ZINC000571763573 430651017 /nfs/dbraw/zinc/65/10/17/430651017.db2.gz JKFVCXHMNWMWGY-LJQANCHMSA-N 2 0 323.440 2.882 20 0 DFADRP c1cc(C[N@H+]2CC[C@H](C[NH+]3CCCC3)C2)c2c(c1)COCC2 ZINC000639494882 430654735 /nfs/dbraw/zinc/65/47/35/430654735.db2.gz KYMSOLPYNFVLTJ-MRXNPFEDSA-N 2 0 300.446 2.677 20 0 DFADRP CCCC[C@@H](C)[N@H+](C)CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000554958916 430656746 /nfs/dbraw/zinc/65/67/46/430656746.db2.gz ZNENDXNTUZOPTI-AEFFLSMTSA-N 2 0 319.493 2.916 20 0 DFADRP C[N@H+](CC1CC1)C[C@@H]1CC[NH+](Cc2cccc3c2CCOC3)C1 ZINC000639507592 430657519 /nfs/dbraw/zinc/65/75/19/430657519.db2.gz IKSMMSWDGIOOQK-KRWDZBQOSA-N 2 0 314.473 2.923 20 0 DFADRP CC(C)[C@H](Cc1ccccc1)[NH2+]C1CCN(CC[NH+](C)C)CC1 ZINC000186985787 277901300 /nfs/dbraw/zinc/90/13/00/277901300.db2.gz KGLKGQCHHMUXLI-FQEVSTJZSA-N 2 0 317.521 2.869 20 0 DFADRP [NH3+]C[C@@H]1CCC[C@H]1[NH2+]C[C@H]1CCN(c2ccc(Cl)cc2)C1 ZINC000643452980 430602764 /nfs/dbraw/zinc/60/27/64/430602764.db2.gz BBYCYZRBJKEAGN-JKIFEVAISA-N 2 0 307.869 2.883 20 0 DFADRP CC[C@H](C)[C@H](C[NH2+]CC1CC[NH+](C2CCOCC2)CC1)OC ZINC000639303960 430603131 /nfs/dbraw/zinc/60/31/31/430603131.db2.gz PRKIMDZLXHCXAG-YJBOKZPZSA-N 2 0 312.498 2.528 20 0 DFADRP C[C@@H]([NH2+]C[C@H]1CCN(c2ccc(F)c(F)c2)C1)[C@H]1CCCC[NH2+]1 ZINC000643453179 430603136 /nfs/dbraw/zinc/60/31/36/430603136.db2.gz MOHWEZFMSFBOHO-HBUWYVDXSA-N 2 0 323.431 2.911 20 0 DFADRP C[C@H](NC[C@@H](c1ccccc1)[NH+]1CCCC1)[C@@H]1CCC[NH2+]C1 ZINC000643454232 430603241 /nfs/dbraw/zinc/60/32/41/430603241.db2.gz OEQNMJLBAWHCNZ-UHOSZYNNSA-N 2 0 301.478 2.801 20 0 DFADRP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+][C@@H]1CCN(c2ncccc2Cl)C1 ZINC000643461918 430603933 /nfs/dbraw/zinc/60/39/33/430603933.db2.gz PGIQORZKNWAXDR-YUELXQCFSA-N 2 0 308.857 2.563 20 0 DFADRP C[C@@H]([NH2+]CCc1ccn(-c2ccc(F)cc2)n1)[C@H]1CCC[NH2+]C1 ZINC000643458045 430604200 /nfs/dbraw/zinc/60/42/00/430604200.db2.gz ABMVQIFDEVZGOW-CABCVRRESA-N 2 0 316.424 2.532 20 0 DFADRP CCN(CC)C(=O)c1ccc(C[NH2+][C@H](C)[C@H]2CCC[NH2+]C2)cc1 ZINC000643459043 430604233 /nfs/dbraw/zinc/60/42/33/430604233.db2.gz VXAIHVZBABPCQF-QAPCUYQASA-N 2 0 317.477 2.646 20 0 DFADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+][C@@H]1CCN(C(=O)C2CCCC2)C1 ZINC000643463196 430604623 /nfs/dbraw/zinc/60/46/23/430604623.db2.gz KWUOUVZVCLWBAC-BPQIPLTHSA-N 2 0 321.509 2.678 20 0 DFADRP CC(C)[C@H]([NH2+][C@H](C)C[C@@H]1CCCCC[NH2+]1)C(=O)N1CCCC1 ZINC000643470370 430605726 /nfs/dbraw/zinc/60/57/26/430605726.db2.gz JQWWWUGEEVUGKB-IKGGRYGDSA-N 2 0 309.498 2.534 20 0 DFADRP C[C@@H]([NH2+]CCCc1nc2c(s1)CCCC2)[C@H]1CCC[NH2+]C1 ZINC000643464288 430605778 /nfs/dbraw/zinc/60/57/78/430605778.db2.gz GARJUACZOKCKCC-KGLIPLIRSA-N 2 0 307.507 2.932 20 0 DFADRP CCOc1ccc2c(c1)[C@H]([NH2+][C@H]1CC[NH2+]CC[C@@H]1C)CCO2 ZINC000643482487 430607346 /nfs/dbraw/zinc/60/73/46/430607346.db2.gz RGPJBDSLGSFHQA-RRQGHBQHSA-N 2 0 304.434 2.887 20 0 DFADRP c1ccc2c(c1)O[C@]1(CC[NH2+]C1)C[C@@H]2[NH2+]CCOCC1CCC1 ZINC000643481270 430607360 /nfs/dbraw/zinc/60/73/60/430607360.db2.gz BPCZQYODVTYYLY-PKOBYXMFSA-N 2 0 316.445 2.649 20 0 DFADRP c1ccc2c(c1)CC[C@H](C[NH2+][C@@H]1CCOC[C@H]1[C@H]1CCC[NH2+]1)C2 ZINC000643478089 430607398 /nfs/dbraw/zinc/60/73/98/430607398.db2.gz XZVMFARSVGMFDT-KCUHQSDYSA-N 2 0 314.473 2.538 20 0 DFADRP COc1ccc2c(c1)OC[C@H]([NH2+][C@H]1C[C@H]([NH3+])c3ccccc31)C2 ZINC000643477729 430607467 /nfs/dbraw/zinc/60/74/67/430607467.db2.gz IAMWLYVXGLXWTD-BVGQSLNGSA-N 2 0 310.397 2.733 20 0 DFADRP C[C@H]([NH2+]CCc1cc(C(F)(F)F)ccn1)[C@H]1CCC[NH2+]C1 ZINC000643491029 430609111 /nfs/dbraw/zinc/60/91/11/430609111.db2.gz ROFWGQNYKDXJGS-RYUDHWBXSA-N 2 0 301.356 2.621 20 0 DFADRP c1ccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@H](NC[C@H]2CCCC[NH2+]2)C3)cc1 ZINC000643501547 430609619 /nfs/dbraw/zinc/60/96/19/430609619.db2.gz KEPMNBFZRASDOG-WTGUMLROSA-N 2 0 313.489 2.914 20 0 DFADRP Cc1cccc(NC(=O)C[C@@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC000643500418 430609786 /nfs/dbraw/zinc/60/97/86/430609786.db2.gz SNHJMPFRYWYEEG-KTFSGNIMSA-N 2 0 301.434 2.585 20 0 DFADRP CC[NH+](CC)[C@@H](CNC(=O)C[N@@H+]1CC[C@@H](C)C1)c1ccccc1 ZINC000553177849 430609893 /nfs/dbraw/zinc/60/98/93/430609893.db2.gz SODROYCBFTWMAN-AEFFLSMTSA-N 2 0 317.477 2.528 20 0 DFADRP [NH3+]C[C@@H]1CCC[C@H]1[NH2+]C1CCC2(CC1)c1ccccc1NC2=O ZINC000643512226 430612145 /nfs/dbraw/zinc/61/21/45/430612145.db2.gz CSJWEXVGIZSOGP-VWHBUJHXSA-N 2 0 313.445 2.536 20 0 DFADRP C[C@H]([NH2+]C1CC[NH+](CC(C)(C)O)CC1)C1CCC(F)CC1 ZINC000639330485 430612431 /nfs/dbraw/zinc/61/24/31/430612431.db2.gz OQKFMJPYQZTSEF-NFOMZHRRSA-N 2 0 300.462 2.728 20 0 DFADRP Cc1nsc(C)c1C[NH+]1CCC(CC[NH+]2CCOCC2)CC1 ZINC000571222266 430612663 /nfs/dbraw/zinc/61/26/63/430612663.db2.gz HXIIHMXRBSSCGM-UHFFFAOYSA-N 2 0 323.506 2.694 20 0 DFADRP C[C@@H]([NH2+][C@H]1CCC[NH2+]CC1)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000643522387 430612679 /nfs/dbraw/zinc/61/26/79/430612679.db2.gz MJHRRBRFRAXTIR-OCCSQVGLSA-N 2 0 301.434 2.709 20 0 DFADRP C[C@@H]([NH2+][C@H]1CC12CC[NH2+]CC2)c1ncc(Br)s1 ZINC000643534747 430612725 /nfs/dbraw/zinc/61/27/25/430612725.db2.gz BQQJCXIKIGPWQO-BDAKNGLRSA-N 2 0 316.268 2.698 20 0 DFADRP C[NH+](C)CCC[C@H]1C[N@H+](CC(C)(C)Oc2ccccc2)CCO1 ZINC000639335073 430612885 /nfs/dbraw/zinc/61/28/85/430612885.db2.gz MDWFHKARKPWSQJ-SFHVURJKSA-N 2 0 320.477 2.887 20 0 DFADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+][C@@H]1CC(C)(C)Oc2ccc(N)cc21 ZINC000643533016 430613431 /nfs/dbraw/zinc/61/34/31/430613431.db2.gz MTPHKYHBKOXPCM-DAXOMENPSA-N 2 0 303.450 2.849 20 0 DFADRP CC(C)[C@@H]([NH2+][C@@H]1CCC[NH2+]CC1)c1ccc2[nH]c(=O)oc2c1 ZINC000643521831 430613437 /nfs/dbraw/zinc/61/34/37/430613437.db2.gz CPSCPVWCMDUGFW-CZUORRHYSA-N 2 0 303.406 2.962 20 0 DFADRP c1c2c(nn1-c1ccccc1)CCC[C@H]2[NH2+][C@H]1CCC[NH2+]CC1 ZINC000643522971 430613665 /nfs/dbraw/zinc/61/36/65/430613665.db2.gz VGMHRDHOTRUXGC-MAUKXSAKSA-N 2 0 310.445 2.981 20 0 DFADRP CC1(C)[C@H]([NH2+][C@@H]2CC23CC[NH2+]CC3)C[C@@H]1Oc1ccccc1 ZINC000643535566 430614195 /nfs/dbraw/zinc/61/41/95/430614195.db2.gz GWHJBOVIBURBQL-ZACQAIPSSA-N 2 0 300.446 2.964 20 0 DFADRP C[C@@H]1[C@H]([NH2+][C@@H]2CC23CC[NH2+]CC3)CCCN1Cc1ccccc1 ZINC000643536447 430614885 /nfs/dbraw/zinc/61/48/85/430614885.db2.gz QYNCZRAAJPDMFE-BHIYHBOVSA-N 2 0 313.489 2.771 20 0 DFADRP COc1ccc2c(c1)[C@@H]([NH2+][C@@H]1CC13CC[NH2+]CC3)CCS2 ZINC000643535207 430614917 /nfs/dbraw/zinc/61/49/17/430614917.db2.gz KMOMWXUMGXDCLW-GOEBONIOSA-N 2 0 304.459 2.964 20 0 DFADRP C[C@@H]1C[C@@H](N[C@H]2CC[NH2+]C3(CCC3)C2)C[N@@H+]1Cc1ccccc1 ZINC000643545950 430615481 /nfs/dbraw/zinc/61/54/81/430615481.db2.gz FYEGNDVXLXDMDK-NZSAHSFTSA-N 2 0 313.489 2.914 20 0 DFADRP C[C@H]([NH2+][C@@H]1CC[NH2+]C2(CCC2)C1)c1ccc2[nH]c(=O)oc2c1 ZINC000643547394 430615639 /nfs/dbraw/zinc/61/56/39/430615639.db2.gz DSYJTHYMKMLMNC-WCQYABFASA-N 2 0 301.390 2.859 20 0 DFADRP CC[C@H](Cc1cccs1)[NH2+]C1CCC([NH+]2CCNCC2)CC1 ZINC000643543866 430615810 /nfs/dbraw/zinc/61/58/10/430615810.db2.gz IVJKPSKYZSURNW-KLAILNCOSA-N 2 0 321.534 2.875 20 0 DFADRP Cc1cc2c(c(C)c1)[C@@H]([NH2+][C@@H]1CCC[C@@H]1N1CC[C@H](O)C1)CC2 ZINC000639370924 430623685 /nfs/dbraw/zinc/62/36/85/430623685.db2.gz FFGOSMJIMRDWSH-RDGPPVDQSA-N 2 0 314.473 2.868 20 0 DFADRP O[C@@H]1CCN([C@@H]2CCC[C@@H]2[NH2+]Cc2ccc(C3CC3)cc2)C1 ZINC000639371313 430623761 /nfs/dbraw/zinc/62/37/61/430623761.db2.gz GKZBPWJQENPYPE-CEXWTWQISA-N 2 0 300.446 2.641 20 0 DFADRP O[C@@H]1CCN([C@@H]2CCC[C@@H]2[NH2+]Cc2cccc(C3CC3)c2)C1 ZINC000639374447 430625373 /nfs/dbraw/zinc/62/53/73/430625373.db2.gz ZVSFAQVTQWZEMD-CEXWTWQISA-N 2 0 300.446 2.641 20 0 DFADRP CCC1([NH+]2CCCC2)CC[NH+](C[C@H](OC)C2CCOCC2)CC1 ZINC000639375752 430626499 /nfs/dbraw/zinc/62/64/99/430626499.db2.gz CWUPNHBUARRJNH-SFHVURJKSA-N 2 0 324.509 2.768 20 0 DFADRP CC[NH+]1CCC(NC(=O)C[N@@H+]2CC[C@@H](C(C)(C)C)C[C@H]2C)CC1 ZINC000554310931 430632831 /nfs/dbraw/zinc/63/28/31/430632831.db2.gz UPRIWKPFNPLSHP-HZPDHXFCSA-N 2 0 323.525 2.734 20 0 DFADRP CN(C(=O)CCCC[NH+](C)C)[C@H](c1ncc[nH]1)c1ccccc1 ZINC000554479149 430636785 /nfs/dbraw/zinc/63/67/85/430636785.db2.gz HRZCXJJLJDYVOJ-KRWDZBQOSA-N 2 0 314.433 2.689 20 0 DFADRP CN(C(=O)CCCC[NH+](C)C)[C@@H](c1ncc[nH]1)c1ccccc1 ZINC000554479150 430637235 /nfs/dbraw/zinc/63/72/35/430637235.db2.gz HRZCXJJLJDYVOJ-QGZVFWFLSA-N 2 0 314.433 2.689 20 0 DFADRP COc1ccc(COCC[N@@H+]2CC3(C[C@H]2C)CC[NH2+]CC3)cc1 ZINC000643895274 430640820 /nfs/dbraw/zinc/64/08/20/430640820.db2.gz BTBZBQGBANWOBF-MRXNPFEDSA-N 2 0 318.461 2.676 20 0 DFADRP CC(C)[N@@H+]1CC[C@H](C[NH2+]C2CCN(C(=O)CC(C)(C)C)CC2)C1 ZINC000571722140 430647586 /nfs/dbraw/zinc/64/75/86/430647586.db2.gz ZSSAXCDVYAXFSH-MRXNPFEDSA-N 2 0 323.525 2.734 20 0 DFADRP Cc1cccc(NC(=O)C[C@H](C)[NH2+]C[C@@H]2CCC[C@@H]([NH3+])C2)c1 ZINC000572112054 430672159 /nfs/dbraw/zinc/67/21/59/430672159.db2.gz BTAURBFAFVSLGB-ARFHVFGLSA-N 2 0 303.450 2.819 20 0 DFADRP C[C@H]([NH2+][C@H]1CCCN(Cc2ccccc2)C1)[C@@H]1CCC[NH2+]C1 ZINC000572257767 430678832 /nfs/dbraw/zinc/67/88/32/430678832.db2.gz QIFDNGALBSHFFO-UHOSZYNNSA-N 2 0 301.478 2.629 20 0 DFADRP Cc1cccc(NC(=O)C[C@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)c1 ZINC000556161872 430679900 /nfs/dbraw/zinc/67/99/00/430679900.db2.gz XTGCBXJQANNKHO-MIGBEJBISA-N 2 0 315.461 2.927 20 0 DFADRP COc1ccccc1CC1CC[NH+](C[C@H]2CCC[NH2+]C2)CC1 ZINC000261936978 278048248 /nfs/dbraw/zinc/04/82/48/278048248.db2.gz MELKINFWLSSNKQ-KRWDZBQOSA-N 2 0 302.462 2.949 20 0 DFADRP OCCCN1CCC[C@H]([NH2+][C@H](CC2CC2)c2ccccc2)C1 ZINC000556435492 430685931 /nfs/dbraw/zinc/68/59/31/430685931.db2.gz GLCLMQJPXSJRQM-RBUKOAKNSA-N 2 0 302.462 2.964 20 0 DFADRP CCC[C@H]1CCCC[C@H]1[NH2+]CC(=O)NC1CC[NH+](CC)CC1 ZINC000572488976 430688359 /nfs/dbraw/zinc/68/83/59/430688359.db2.gz ODKGMIVAKQXWHK-DOTOQJQBSA-N 2 0 309.498 2.535 20 0 DFADRP C[C@@](O)(C[NH+]1CCC(C[NH+]2CCCC2)CC1)c1ccccc1 ZINC000171138580 278116363 /nfs/dbraw/zinc/11/63/63/278116363.db2.gz MEJWTNXQHBTPEL-LJQANCHMSA-N 2 0 302.462 2.702 20 0 DFADRP c1c(C[NH2+][C@@H]2CCOC[C@H]2[C@@H]2CCC[NH2+]2)sc2c1CCCC2 ZINC000572593265 430691198 /nfs/dbraw/zinc/69/11/98/430691198.db2.gz AATAHTVVQHXHRQ-YESZJQIVSA-N 2 0 320.502 2.874 20 0 DFADRP C[C@H](C[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1)N1CCc2sccc2C1 ZINC000177864218 278210968 /nfs/dbraw/zinc/21/09/68/278210968.db2.gz LNBXDCRPFTYRJH-FMKPAKJESA-N 2 0 307.507 2.567 20 0 DFADRP CC(C)[C@@H]1CC[C@H]1[NH2+][C@H](CN1CC[NH+](C)CC1)c1ccccc1 ZINC000556873652 430695275 /nfs/dbraw/zinc/69/52/75/430695275.db2.gz ZZFPXGMAHDSVOQ-XUVXKRRUSA-N 2 0 315.505 2.999 20 0 DFADRP C[C@H]([NH3+])CCC(=O)NC[C@H](c1ccccc1)[NH+]1CCC(C)CC1 ZINC000193302906 278225344 /nfs/dbraw/zinc/22/53/44/278225344.db2.gz LKEUCXBUTCSDFD-FUHWJXTLSA-N 2 0 317.477 2.703 20 0 DFADRP C[C@@H](CCN[C@H]1CC[N@H+](C)C[C@H]1C)[NH+](C)Cc1ccccc1 ZINC000361755944 278233716 /nfs/dbraw/zinc/23/37/16/278233716.db2.gz SKGLPIVQOKXOMS-AOIWGVFYSA-N 2 0 303.494 2.827 20 0 DFADRP C[C@@H](CN1CC[NH+](C)CC1)[NH2+][C@@H]1CC[C@@H](C)c2ccccc21 ZINC000155062333 278261060 /nfs/dbraw/zinc/26/10/60/278261060.db2.gz HMHQSZVHFHFYHA-JTDSTZFVSA-N 2 0 301.478 2.851 20 0 DFADRP C[C@H]([NH2+]Cc1cccnc1N1CC[NH+](C)CC1)C1CCCCC1 ZINC000177260145 278266715 /nfs/dbraw/zinc/26/67/15/278266715.db2.gz HPQFMXDQCJVVRT-INIZCTEOSA-N 2 0 316.493 2.892 20 0 DFADRP C[C@H]([NH2+]Cc1ccc(OCC(F)(F)F)nc1)[C@H]1CCC[NH2+]C1 ZINC000572970068 430698760 /nfs/dbraw/zinc/69/87/60/430698760.db2.gz IFXQKCMMUNIOOH-AAEUAGOBSA-N 2 0 317.355 2.500 20 0 DFADRP CC(C)(C)OC(=O)CC[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000246545844 278374115 /nfs/dbraw/zinc/37/41/15/278374115.db2.gz KCYDMNDMBOWMHP-GOEBONIOSA-N 2 0 308.466 2.667 20 0 DFADRP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)[C@H](C)c2cccc(F)c2)CC1 ZINC000247054164 278395749 /nfs/dbraw/zinc/39/57/49/278395749.db2.gz FMJBQZMTUNBRIB-HUUCEWRRSA-N 2 0 308.441 2.911 20 0 DFADRP c1cc2c(c(C[NH2+]C3CCN([C@@H]4CCOC4)CC3)c1)CCC2 ZINC000657753152 430726507 /nfs/dbraw/zinc/72/65/07/430726507.db2.gz UPXWOHAAMVEHHT-GOSISDBHSA-N 2 0 300.446 2.518 20 0 DFADRP CCC[N@H+](C)CC(C)(C)NC(=O)CC[C@@H]([NH3+])c1ccccc1 ZINC000664719670 430729953 /nfs/dbraw/zinc/72/99/53/430729953.db2.gz VPXZFJWNFIQQAG-MRXNPFEDSA-N 2 0 305.466 2.703 20 0 DFADRP Cn1cc(C[NH2+]C[C@H]2C[N@H+](Cc3ccccc3)CC23CCC3)cn1 ZINC000657771225 430731445 /nfs/dbraw/zinc/73/14/45/430731445.db2.gz FVVWRKLOTAFCDD-IBGZPJMESA-N 2 0 324.472 2.812 20 0 DFADRP Cc1cccc2ncc(C[NH2+]CC3CC[NH+](CC4CC4)CC3)n21 ZINC000657813599 430743089 /nfs/dbraw/zinc/74/30/89/430743089.db2.gz TXXFRWXNSDYPNL-UHFFFAOYSA-N 2 0 312.461 2.854 20 0 DFADRP O[C@H](C[NH2+]Cc1ccc(Cn2ccnc2)cc1)Cc1ccccc1 ZINC000644523386 430743279 /nfs/dbraw/zinc/74/32/79/430743279.db2.gz VWVVLAYDISLFLP-FQEVSTJZSA-N 2 0 321.424 2.625 20 0 DFADRP CCN(C)c1ccc(C[NH2+]CC2CC[NH+](CC3CC3)CC2)cn1 ZINC000657813607 430743643 /nfs/dbraw/zinc/74/36/43/430743643.db2.gz UEQRWPWBDJNEBL-UHFFFAOYSA-N 2 0 316.493 2.749 20 0 DFADRP Cc1cc([C@H](C)[NH2+][C@@H]2CCN(C3CC[NH+](C)CC3)C2)cs1 ZINC000651228229 430743971 /nfs/dbraw/zinc/74/39/71/430743971.db2.gz AVVYJOJQABRPKW-GOEBONIOSA-N 2 0 307.507 2.876 20 0 DFADRP COC[C@@H](CC1CCOCC1)[NH2+]CCC[N@@H+]1CCCC[C@@H]1C ZINC000657823837 430745375 /nfs/dbraw/zinc/74/53/75/430745375.db2.gz OTSASIZEZCIVNA-FUHWJXTLSA-N 2 0 312.498 2.672 20 0 DFADRP COC[C@@H](CC1CCOCC1)[NH2+]CCC[N@@H+]1CCCC[C@H]1C ZINC000657823838 430746344 /nfs/dbraw/zinc/74/63/44/430746344.db2.gz OTSASIZEZCIVNA-SJLPKXTDSA-N 2 0 312.498 2.672 20 0 DFADRP C[C@H]([NH2+]CC(C)(C)N1CC[NH+](C)CC1)c1cc2cnccc2o1 ZINC000657832006 430747957 /nfs/dbraw/zinc/74/79/57/430747957.db2.gz HWGXCGSQRVHALB-AWEZNQCLSA-N 2 0 316.449 2.504 20 0 DFADRP CCOC1CCC([NH2+]CC2(N3CCCC3)CCOCC2)CC1 ZINC000657873424 430758499 /nfs/dbraw/zinc/75/84/99/430758499.db2.gz MLGNUVSXHUWQSR-UHFFFAOYSA-N 2 0 310.482 2.569 20 0 DFADRP CC[C@@H](Cc1ccc(Cl)cc1)[NH2+][C@@H](C)CN1CC[NH+](C)CC1 ZINC000657877050 430759084 /nfs/dbraw/zinc/75/90/84/430759084.db2.gz BGXOBURTXMYWBR-YJBOKZPZSA-N 2 0 323.912 2.887 20 0 DFADRP CC(C)[C@@H]([NH2+]C[C@@H](O)CN(C)C)c1ccc2c(c1)CCCC2 ZINC000657876639 430759550 /nfs/dbraw/zinc/75/95/50/430759550.db2.gz YRKNEUDWUJGECA-RTBURBONSA-N 2 0 304.478 2.775 20 0 DFADRP CC1(C)[C@H]2CCC[C@H]2[C@@H]1[NH2+]C1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000657890657 430760723 /nfs/dbraw/zinc/76/07/23/430760723.db2.gz LUXLLMAVXIXRRB-BGTYHANMSA-N 2 0 306.494 2.902 20 0 DFADRP CC[NH+]1CCC(CC[NH2+][C@H](COC)CC2CCOCC2)CC1 ZINC000657892049 430760748 /nfs/dbraw/zinc/76/07/48/430760748.db2.gz USZBUTVCCSVHEB-SFHVURJKSA-N 2 0 312.498 2.530 20 0 DFADRP C[C@H]([NH2+]CCCC[N@@H+]1CCC[C@@H]1CO)c1cc2cnccc2o1 ZINC000657882124 430761141 /nfs/dbraw/zinc/76/11/41/430761141.db2.gz XUJQKOANILJVSH-GOEBONIOSA-N 2 0 317.433 2.715 20 0 DFADRP CCO[C@@H](CC[NH+](C)C)C[NH2+][C@@H](C)c1cc2cnccc2o1 ZINC000657901294 430763715 /nfs/dbraw/zinc/76/37/15/430763715.db2.gz BHTHXBGMBSMLSW-ZFWWWQNUSA-N 2 0 305.422 2.835 20 0 DFADRP CC1(C)[C@H]([NH2+]C2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)[C@@H]2CCC[C@@H]21 ZINC000657925011 430768885 /nfs/dbraw/zinc/76/88/85/430768885.db2.gz LLGIBNBENQDUKY-RSJGLCBASA-N 2 0 306.494 2.779 20 0 DFADRP C[N@@H+](Cc1ccc(C[NH+]2CCCCC2)cc1)C[C@@H]1COCCO1 ZINC000661615337 430775166 /nfs/dbraw/zinc/77/51/66/430775166.db2.gz ZXOZDCKWNOGZAD-LJQANCHMSA-N 2 0 318.461 2.520 20 0 DFADRP CC[C@@H]1C[C@@H]([NH2+]Cc2ccc(CN3CCOCC3)cc2)CCO1 ZINC000648406033 430775955 /nfs/dbraw/zinc/77/59/55/430775955.db2.gz AFHXDYLFHODQHB-RBUKOAKNSA-N 2 0 318.461 2.566 20 0 DFADRP O=C(CC[NH2+]C1CC([NH+]2CCCCC2)C1)Nc1ccccc1F ZINC000644636817 430777134 /nfs/dbraw/zinc/77/71/34/430777134.db2.gz YACREHXQTDEDJH-UHFFFAOYSA-N 2 0 319.424 2.761 20 0 DFADRP Cc1cc2ncn(C[C@@H](O)CN[C@H]3CCCC3(F)F)c2cc1C ZINC000644647518 430778726 /nfs/dbraw/zinc/77/87/26/430778726.db2.gz BEJDBEZLMDQXNR-BBRMVZONSA-N 2 0 323.387 2.791 20 0 DFADRP C[C@@H](Cc1ccccc1F)[NH2+][C@@H](C)CN(C)CCC[NH+](C)C ZINC000658105662 430813478 /nfs/dbraw/zinc/81/34/78/430813478.db2.gz CFUISBNINKHCMA-HOTGVXAUSA-N 2 0 309.473 2.618 20 0 DFADRP COc1cc(C)ccc1[C@@H](C)[NH2+][C@@H](C)CN(C)CCC[NH+](C)C ZINC000658110289 430815186 /nfs/dbraw/zinc/81/51/86/430815186.db2.gz XCDCBKHEIMPBMX-DLBZAZTESA-N 2 0 321.509 2.926 20 0 DFADRP Cc1c([C@H](C)[NH2+][C@@H](C)CN(C)CCC[NH+](C)C)cnn1C(C)C ZINC000658108674 430815405 /nfs/dbraw/zinc/81/54/05/430815405.db2.gz QVOJOKAVAPEVMD-HOTGVXAUSA-N 2 0 323.529 2.695 20 0 DFADRP O[C@@H]1CC[N@H+](Cc2ccc(C[NH2+][C@@H]3CCC34CCC4)cc2)C1 ZINC000658136525 430821634 /nfs/dbraw/zinc/82/16/34/430821634.db2.gz HKEPRKREIOWQED-QZTJIDSGSA-N 2 0 300.446 2.676 20 0 DFADRP O[C@H]1CC[N@H+](Cc2ccc(C[NH2+][C@@H](C3CC3)C3CCC3)cc2)C1 ZINC000658139847 430823875 /nfs/dbraw/zinc/82/38/75/430823875.db2.gz TTWZTYNXAZIKJQ-VQTJNVASSA-N 2 0 314.473 2.922 20 0 DFADRP C[C@@H]([NH2+]Cc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1)C1CCCC1 ZINC000658139887 430824225 /nfs/dbraw/zinc/82/42/25/430824225.db2.gz NOCGHPKSMMSGQE-BEFAXECRSA-N 2 0 302.462 2.922 20 0 DFADRP CC(C)C1CC([NH2+]Cc2ccc(C[N@@H+]3CC[C@H](O)C3)cc2)C1 ZINC000658141950 430824282 /nfs/dbraw/zinc/82/42/82/430824282.db2.gz YCPNTGKDFBGPJC-ACBHZAAOSA-N 2 0 302.462 2.777 20 0 DFADRP C[C@@H]([NH2+][C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1)C1(CO)CC1 ZINC000658155322 430826238 /nfs/dbraw/zinc/82/62/38/430826238.db2.gz OZVSITDBYQUKQQ-LZLYRXPVSA-N 2 0 302.462 2.648 20 0 DFADRP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+][C@@H](C)C2(CO)CC2)CC1 ZINC000658156557 430827052 /nfs/dbraw/zinc/82/70/52/430827052.db2.gz VOUQDXPTCUFCIY-SJORKVTESA-N 2 0 316.489 2.833 20 0 DFADRP COC[C@H]([NH2+][C@@H](C)C1CC[NH+](C)CC1)c1cccc(OC)c1 ZINC000658162675 430830139 /nfs/dbraw/zinc/83/01/39/430830139.db2.gz FIZBRWPZYBMHPX-KSSFIOAISA-N 2 0 306.450 2.703 20 0 DFADRP COC[C@@H]([NH2+]CC1CC[NH+](Cc2ccncc2)CC1)C(C)C ZINC000658168449 430832416 /nfs/dbraw/zinc/83/24/16/430832416.db2.gz XGTFDPIIRIXAGN-GOSISDBHSA-N 2 0 305.466 2.554 20 0 DFADRP CC[C@H]([NH2+]CC1CC[NH+](Cc2ccncc2)CC1)[C@H]1CCOC1 ZINC000658166787 430833245 /nfs/dbraw/zinc/83/32/45/430833245.db2.gz OVIDCAHKMWPPRP-OALUTQOASA-N 2 0 317.477 2.698 20 0 DFADRP CO[C@@H](C)C[NH2+][C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000658170736 430833753 /nfs/dbraw/zinc/83/37/53/430833753.db2.gz NMUYFVYVFBWATI-GDAAHCPNSA-N 2 0 302.462 2.912 20 0 DFADRP C[C@H](Cc1ccccc1)[NH+]1CCC(N[C@@H]2CCC[N@H+](C)C2)CC1 ZINC000648432554 430785774 /nfs/dbraw/zinc/78/57/74/430785774.db2.gz XDAWZWKJCQOMCQ-YLJYHZDGSA-N 2 0 315.505 2.766 20 0 DFADRP C[N@H+](CCc1ccccc1)[C@@H]1CCN(CC[C@H]2CCC[NH+]2C)C1 ZINC000661649926 430791056 /nfs/dbraw/zinc/79/10/56/430791056.db2.gz QVUFWLQMYWLHPD-WOJBJXKFSA-N 2 0 315.505 2.720 20 0 DFADRP Cc1nc([C@@H](C)[NH2+]CC2CC[NH+](C3CCOCC3)CC2)cs1 ZINC000658066578 430797743 /nfs/dbraw/zinc/79/77/43/430797743.db2.gz BZSISVOHRSHTNA-CYBMUJFWSA-N 2 0 323.506 2.993 20 0 DFADRP CC[NH+](CC)CCC[N@@H+]1CC[C@H](c2ccccc2)[C@H](CO)C1 ZINC000661666208 430798215 /nfs/dbraw/zinc/79/82/15/430798215.db2.gz UKRIIAWWGXQXRK-RBUKOAKNSA-N 2 0 304.478 2.816 20 0 DFADRP COC[C@H]([NH2+]CC1CC[NH+](C2CCOCC2)CC1)C1CCCC1 ZINC000658071751 430800676 /nfs/dbraw/zinc/80/06/76/430800676.db2.gz YFCIKOZCDCKJGI-IBGZPJMESA-N 2 0 324.509 2.672 20 0 DFADRP C[C@@H](Cc1ccccc1)[NH+]1CCC([NH2+][C@@H](CO)CC2CC2)CC1 ZINC000648485962 430804071 /nfs/dbraw/zinc/80/40/71/430804071.db2.gz QGWUEZSUXPBSER-OXJNMPFZSA-N 2 0 316.489 2.833 20 0 DFADRP CC[C@H]1C[C@@H]([NH2+]CC2CCN(c3cc[nH+]cc3)CC2)CCO1 ZINC000648494063 430806538 /nfs/dbraw/zinc/80/65/38/430806538.db2.gz PEJMXLCGXCBXFH-WMZOPIPTSA-N 2 0 303.450 2.845 20 0 DFADRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@@H]1CCCc2ccccc2C1 ZINC000648500768 430809400 /nfs/dbraw/zinc/80/94/00/430809400.db2.gz GNVMDIFKVSYOOV-RTBURBONSA-N 2 0 304.478 2.880 20 0 DFADRP C[N@@H+]1CC[C@H](N[C@@H]2CC[NH+](C3CCCCC3)C2)[C@@H]2CCC[C@H]21 ZINC000658230495 430844885 /nfs/dbraw/zinc/84/48/85/430844885.db2.gz ZEJLJSIFPJYKBF-XGXHKWSGSA-N 2 0 305.510 2.856 20 0 DFADRP c1cc(OCC[NH+]2CCCC2)ccc1C[NH2+]CC1=CCOCC1 ZINC000648662310 430848808 /nfs/dbraw/zinc/84/88/08/430848808.db2.gz IXZUEQQDGLUJRB-UHFFFAOYSA-N 2 0 316.445 2.598 20 0 DFADRP Cc1nn(-c2cccc(C)c2)cc1C[NH2+]CC1CC[NH+](C)CC1 ZINC000651705974 430853089 /nfs/dbraw/zinc/85/30/89/430853089.db2.gz NZILYSYHJMPKKC-UHFFFAOYSA-N 2 0 312.461 2.921 20 0 DFADRP C[C@H]([NH2+][C@@H]1C[C@@H](O)C12CCC2)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000658253139 430853783 /nfs/dbraw/zinc/85/37/83/430853783.db2.gz STKULDUGXHKSTQ-JCHJZTRSSA-N 2 0 314.473 2.790 20 0 DFADRP Cn1ncc(C2CCC2)c1C[NH2+][C@H]1CC[N@H+](C)[C@@H]2CCC[C@@H]21 ZINC000658266230 430857220 /nfs/dbraw/zinc/85/72/20/430857220.db2.gz GMSYVRJHVSRYRK-HYVNUMGLSA-N 2 0 302.466 2.650 20 0 DFADRP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]C[C@H]1CCN(c2ccccc2Cl)C1 ZINC000665234737 430863614 /nfs/dbraw/zinc/86/36/14/430863614.db2.gz JMQWBBDCERURAQ-YCPHGPKFSA-N 2 0 307.869 2.883 20 0 DFADRP C[C@H]([NH2+]C[C@H]1CCN(c2ccccc2Cl)C1)[C@@H]1CCC[NH2+]1 ZINC000665233269 430863628 /nfs/dbraw/zinc/86/36/28/430863628.db2.gz CTCZWXVLBZWPOU-LZWOXQAQSA-N 2 0 307.869 2.896 20 0 DFADRP O[C@H]1CCC[C@@H]1[NH+]1CCC([NH2+]Cc2cccc3c2CCC3)CC1 ZINC000651733398 430863642 /nfs/dbraw/zinc/86/36/42/430863642.db2.gz GNAGPPYWSQSWJY-PMACEKPBSA-N 2 0 314.473 2.643 20 0 DFADRP CC(=O)NCc1ccc(C[NH2+][C@@H](C)C[C@@H]2CCCCC[NH2+]2)cc1 ZINC000665235260 430863681 /nfs/dbraw/zinc/86/36/81/430863681.db2.gz STOYNHXQNPZDCQ-KXBFYZLASA-N 2 0 317.477 2.723 20 0 DFADRP [NH3+]CC1CCC([NH2+]C[C@@H](OC2CCCC2)C(F)(F)F)CC1 ZINC000665238345 430864329 /nfs/dbraw/zinc/86/43/29/430864329.db2.gz WNXLUEMXCQCFOV-ORHYLEIMSA-N 2 0 308.388 2.984 20 0 DFADRP C[NH+]1CCN(c2cc[nH+]cc2NCc2cc3cnccc3o2)CC1 ZINC000651744855 430864858 /nfs/dbraw/zinc/86/48/58/430864858.db2.gz QWSAUOPRNBXJKY-UHFFFAOYSA-N 2 0 323.400 2.587 20 0 DFADRP [NH3+][C@H]1C[C@H](N[C@@H]2C[NH2+]CC[C@@H]2c2ccccc2)c2ccccc21 ZINC000665252099 430870141 /nfs/dbraw/zinc/87/01/41/430870141.db2.gz GWNZNXLLAYWUPQ-XFWGSAIBSA-N 2 0 307.441 2.867 20 0 DFADRP CCOc1ccc([C@@H]2CCNC[C@@H]2[NH2+][C@H](C)CCCC[NH3+])cc1 ZINC000665255027 430870342 /nfs/dbraw/zinc/87/03/42/430870342.db2.gz GVZROQHOKREGJT-MNEFBYGVSA-N 2 0 319.493 2.638 20 0 DFADRP CNC(=O)CC1(C[NH2+][C@@H]2CC[N@H+](C)[C@H]3CCC[C@@H]32)CCCCC1 ZINC000658307571 430872275 /nfs/dbraw/zinc/87/22/75/430872275.db2.gz LLSHMSCKATWIJA-ZACQAIPSSA-N 2 0 321.509 2.535 20 0 DFADRP CCC[NH+]1CCC(N[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)CC1 ZINC000665256970 430873609 /nfs/dbraw/zinc/87/36/09/430873609.db2.gz UHUCNEDKKFGMAO-RTBURBONSA-N 2 0 319.468 2.735 20 0 DFADRP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+][C@@H]1COc2cc(F)ccc2C1 ZINC000665267012 430876527 /nfs/dbraw/zinc/87/65/27/430876527.db2.gz NVEQMNXVQHHDIM-DOPJRALCSA-N 2 0 314.404 2.677 20 0 DFADRP Cc1nc(C[NH3+])ccc1[C@H](C)N[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000665267237 430876935 /nfs/dbraw/zinc/87/69/35/430876935.db2.gz SJLJMBSYQCZCQI-DOTOQJQBSA-N 2 0 316.493 2.906 20 0 DFADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+][C@@H](C)CN1CCC(C)CC1 ZINC000665273287 430879537 /nfs/dbraw/zinc/87/95/37/430879537.db2.gz SYNSVRUQVCAXNS-LSDHHAIUSA-N 2 0 304.482 2.620 20 0 DFADRP CNC(=O)CC1(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)CCCCC1 ZINC000665275380 430879663 /nfs/dbraw/zinc/87/96/63/430879663.db2.gz JKMABRFZQGZYJZ-IXDOHACOSA-N 2 0 321.509 2.583 20 0 DFADRP C[NH+](C)CCOc1ccc(C[N@@H+]2CCSC[C@H]2C2CC2)cc1 ZINC000648752519 430880983 /nfs/dbraw/zinc/88/09/83/430880983.db2.gz JXLPOXSILVAICE-SFHVURJKSA-N 2 0 320.502 2.954 20 0 DFADRP CC[C@@H](Cc1ccc(Br)cc1)[NH2+][C@H](C)C1C[NH2+]C1 ZINC000665283047 430882910 /nfs/dbraw/zinc/88/29/10/430882910.db2.gz GNBJGKIQKQHIBL-ABAIWWIYSA-N 2 0 311.267 2.968 20 0 DFADRP c1ccc(CN2CC[C@@H]2C[NH2+]C2CC[NH+](CC3CC3)CC2)cc1 ZINC000658347049 430883164 /nfs/dbraw/zinc/88/31/64/430883164.db2.gz GKEZKLCJVZLKFW-HXUWFJFHSA-N 2 0 313.489 2.725 20 0 DFADRP Cn1ccnc1[C@H]([NH2+]CC1CC[NH+](CC2CC2)CC1)C1CC1 ZINC000658358075 430885464 /nfs/dbraw/zinc/88/54/64/430885464.db2.gz YIMMHCAGMSLBCN-QGZVFWFLSA-N 2 0 302.466 2.583 20 0 DFADRP Cn1cc(C[C@@H]2CCC[C@@H]2[NH2+]CC[C@H]2CCCC[N@@H+]2C)cn1 ZINC000661779903 430838468 /nfs/dbraw/zinc/83/84/68/430838468.db2.gz OLEREKMMSKBHFD-KSZLIROESA-N 2 0 304.482 2.595 20 0 DFADRP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@@H+]2Cc1cccc2c1CCC2 ZINC000651651113 430839048 /nfs/dbraw/zinc/83/90/48/430839048.db2.gz LZPVPMJQLHHVON-HOJAQTOUSA-N 2 0 314.473 2.859 20 0 DFADRP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@@H+]2Cc1cccc2c1CCC2 ZINC000651651114 430839872 /nfs/dbraw/zinc/83/98/72/430839872.db2.gz LZPVPMJQLHHVON-MISYRCLQSA-N 2 0 314.473 2.859 20 0 DFADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CCC[C@@H](C)O2)[C@@H](C)C1 ZINC000658217507 430842655 /nfs/dbraw/zinc/84/26/55/430842655.db2.gz FIGWAXIOERXLAK-MHORFTMASA-N 2 0 312.498 2.671 20 0 DFADRP CC(C)[N@H+](C)C[C@H](O)CN(Cc1ccccc1F)CC1CC1 ZINC000661793657 430843561 /nfs/dbraw/zinc/84/35/61/430843561.db2.gz QNGNWBCAEPQGGA-KRWDZBQOSA-N 2 0 308.441 2.739 20 0 DFADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CCc2ccccc2-n2ccnc21 ZINC000665299702 430890850 /nfs/dbraw/zinc/89/08/50/430890850.db2.gz ROMGMGMZZHBZIM-ULQDDVLXSA-N 2 0 310.445 2.967 20 0 DFADRP CC(C)(C[NH2+][C@@H]1CCOC[C@@H]1[C@@H]1CCC[NH2+]1)CC(F)(F)F ZINC000665301494 430890953 /nfs/dbraw/zinc/89/09/53/430890953.db2.gz YVEVRJCERSJQKZ-FRRDWIJNSA-N 2 0 308.388 2.712 20 0 DFADRP CC(C)C[N@H+](C)CCC[NH2+][C@@H](C)CC(=O)N1CCCCCC1 ZINC000651866091 430898397 /nfs/dbraw/zinc/89/83/97/430898397.db2.gz UNJHZKLETPTVAP-KRWDZBQOSA-N 2 0 311.514 2.735 20 0 DFADRP C[C@H](CC(=O)Nc1ccccc1)[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000319385460 533691075 /nfs/dbraw/zinc/69/10/75/533691075.db2.gz KJETXUPSDCGFDR-OIISXLGYSA-N 2 0 301.434 2.620 20 0 DFADRP CC(C)C[N@H+](C)CCC[NH2+][C@H](C)CC(=O)Nc1ccccc1 ZINC000651866053 430898925 /nfs/dbraw/zinc/89/89/25/430898925.db2.gz RYZOPEPHGPYIFM-MRXNPFEDSA-N 2 0 305.466 2.971 20 0 DFADRP C[C@@H](C[NH+]1CCN([C@H]2CCC[N@H+](C)C2)CC1)C1CCCCC1 ZINC000645095047 430900582 /nfs/dbraw/zinc/90/05/82/430900582.db2.gz QXJPJULBVBQHHU-HKUYNNGSSA-N 2 0 307.526 2.915 20 0 DFADRP Cc1cc(C)c(C[NH2+]Cc2ccc(OCC[NH+](C)C)cc2)cn1 ZINC000648840632 430910969 /nfs/dbraw/zinc/91/09/69/430910969.db2.gz XPOORKPSVJZKCQ-UHFFFAOYSA-N 2 0 313.445 2.929 20 0 DFADRP COC[C@H]1CCCC[N@@H+]1Cc1ccc(OCC[NH+](C)C)cc1 ZINC000648856764 430914689 /nfs/dbraw/zinc/91/46/89/430914689.db2.gz AMOKSHLSLFSDAW-QGZVFWFLSA-N 2 0 306.450 2.628 20 0 DFADRP C[C@@H](C(=O)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1)[C@H](C)[NH3+] ZINC000645157955 430917692 /nfs/dbraw/zinc/91/76/92/430917692.db2.gz YWLOMKODKCVCIE-DVOMOZLQSA-N 2 0 323.868 2.576 20 0 DFADRP C[NH+](C)CCOc1ccc(CNc2cc3c(c[nH+]2)CCC3)cc1 ZINC000645212565 430936867 /nfs/dbraw/zinc/93/68/67/430936867.db2.gz VNZLYHCHXZIKPK-UHFFFAOYSA-N 2 0 311.429 3.123 20 0 DFADRP CC(C)(C)CC(C)(C)[NH+]1CCC([NH2+][C@H](CO)CCF)CC1 ZINC000652018272 430938384 /nfs/dbraw/zinc/93/83/84/430938384.db2.gz OPFWBOANDWZMDM-HNNXBMFYSA-N 2 0 302.478 2.976 20 0 DFADRP C[C@@H]1CCC[C@@H]([NH+]2CCC([NH2+]CC[C@@]3(O)CCCOC3)CC2)C1 ZINC000652045556 430944264 /nfs/dbraw/zinc/94/42/64/430944264.db2.gz BDBLQBIUEYGERS-QRQLOZEOSA-N 2 0 324.509 2.551 20 0 DFADRP C[NH+](C)CC1(C(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@@H]23)CCCCC1 ZINC000655351183 430974577 /nfs/dbraw/zinc/97/45/77/430974577.db2.gz PGRHTBQBMJBMQJ-SJORKVTESA-N 2 0 321.509 2.632 20 0 DFADRP C[C@H](CN1CCC([N@@H+]2CC[C@@H](O)C2)CC1)c1cccc(Cl)c1 ZINC000662151259 430981165 /nfs/dbraw/zinc/98/11/65/430981165.db2.gz HBXBQQUQBIAEIB-RDTXWAMCSA-N 2 0 322.880 2.975 20 0 DFADRP O[C@H]1CC[N@@H+](C2CC[NH+]([C@H]3CCCc4ccccc43)CC2)C1 ZINC000662155999 430984958 /nfs/dbraw/zinc/98/49/58/430984958.db2.gz KCYAKKIFZATSAX-HKUYNNGSSA-N 2 0 300.446 2.595 20 0 DFADRP CCC(C)(C)[NH+]1CCN(C(=O)CC[C@H]2CCCC[N@@H+]2C)CC1 ZINC000655409888 430996141 /nfs/dbraw/zinc/99/61/41/430996141.db2.gz KTLAVFZVXWPTQD-MRXNPFEDSA-N 2 0 309.498 2.584 20 0 DFADRP CN(CC[C@@H]1CCCC[N@@H+]1C)Cc1cccc2c1CC[NH2+]C2 ZINC000662262333 431023089 /nfs/dbraw/zinc/02/30/89/431023089.db2.gz FTUSUUUKMFNNNW-SFHVURJKSA-N 2 0 301.478 2.639 20 0 DFADRP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](CCc3nsc4ccccc43)C[C@@H]21 ZINC000662266204 431024353 /nfs/dbraw/zinc/02/43/53/431024353.db2.gz KMNREYPYPVGZMG-VHDGCEQUSA-N 2 0 301.459 2.898 20 0 DFADRP C[NH2+]C[C@](C)(O)C[NH2+][C@@H](c1cccc(C(F)(F)F)c1)C1CC1 ZINC000652341535 431024625 /nfs/dbraw/zinc/02/46/25/431024625.db2.gz XFFANAOSSSRMQZ-CABCVRRESA-N 2 0 316.367 2.717 20 0 DFADRP CC[N@H+](CCCNC(=O)[C@H]1C[C@]12CCC[NH2+]C2)C1CCCCC1 ZINC000655484871 431025020 /nfs/dbraw/zinc/02/50/20/431025020.db2.gz ZIVSXZNUNCYLCD-MJGOQNOKSA-N 2 0 321.509 2.537 20 0 DFADRP Cc1ncsc1C[N@H+](C[C@H]1CC[NH2+]C1)C[C@@H]1C[C@H]2C[C@H]2C1 ZINC000662267150 431025133 /nfs/dbraw/zinc/02/51/33/431025133.db2.gz BXURWICPMOBSNM-JONQDZQNSA-N 2 0 305.491 2.909 20 0 DFADRP Cc1cccc(OCC[N@@H+]2CCC[C@H]([C@H]3C[C@H]([NH3+])CCO3)C2)c1 ZINC000652345484 431026104 /nfs/dbraw/zinc/02/61/04/431026104.db2.gz CLIYEDXFFOQLRO-YQVWRLOYSA-N 2 0 318.461 2.592 20 0 DFADRP c1cc2c(cc1C[N@@H+]1CCC[C@@H]([C@@H]3CCC[NH2+]C3)C1)C[NH2+]CC2 ZINC000652340861 431026312 /nfs/dbraw/zinc/02/63/12/431026312.db2.gz JRSYSIYUVVZUIX-RTBURBONSA-N 3 0 313.489 2.544 20 0 DFADRP [NH3+]C[C@H]1C[N@H+](CCSc2ccc(F)cc2)CC12CCOCC2 ZINC000662272047 431026463 /nfs/dbraw/zinc/02/64/63/431026463.db2.gz CACFJGAWJYEWFS-AWEZNQCLSA-N 2 0 324.465 2.605 20 0 DFADRP CCc1cccc(C[N@@H+]2CCC[C@H]([C@@H]3C[C@@H]([NH3+])CCO3)C2)c1 ZINC000652349389 431026975 /nfs/dbraw/zinc/02/69/75/431026975.db2.gz MZYFXARXSRULRK-FHWLQOOXSA-N 2 0 302.462 2.967 20 0 DFADRP c1ccc([C@@H]2CC[C@@H](C[NH+]3CCN([C@H]4CC[NH2+]C4)CC3)C2)cc1 ZINC000662272361 431026994 /nfs/dbraw/zinc/02/69/94/431026994.db2.gz FGUPEFQMCRUJKM-RLLQIKCJSA-N 2 0 313.489 2.550 20 0 DFADRP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCC[N@H+](CCCCC3CCOCC3)C2)C1 ZINC000652350080 431027895 /nfs/dbraw/zinc/02/78/95/431027895.db2.gz FHGRUKWRBASKNI-IPMKNSEASA-N 2 0 324.509 2.802 20 0 DFADRP [NH3+][C@@H]1CCO[C@H]1C1CC[NH+](CC[C@H]2CCc3ccccc32)CC1 ZINC000662272707 431028677 /nfs/dbraw/zinc/02/86/77/431028677.db2.gz GZLCWBLUVGQHLX-AHRSYUTCSA-N 2 0 314.473 2.935 20 0 DFADRP C[C@@H]1CCC[N@H+](CCc2nc(-c3ccccc3)no2)[C@@H]1CC[NH3+] ZINC000652355196 431030055 /nfs/dbraw/zinc/03/00/55/431030055.db2.gz QUCIVOOZCCGHCZ-GDBMZVCRSA-N 2 0 314.433 2.728 20 0 DFADRP c1cc(C[N@@H+]2CC[C@H](C3CCOCC3)C2)c2c(c1)C[NH2+]CC2 ZINC000662278295 431030263 /nfs/dbraw/zinc/03/02/63/431030263.db2.gz DVWHRKHXAPQTIX-KRWDZBQOSA-N 2 0 300.446 2.581 20 0 DFADRP [NH3+][C@@H]1CCO[C@H]1C1CC[NH+](C[C@@H]2CCCCC2(F)F)CC1 ZINC000662273342 431030971 /nfs/dbraw/zinc/03/09/71/431030971.db2.gz MGGSOPWZMCRGHU-ZNMIVQPWSA-N 2 0 302.409 2.640 20 0 DFADRP CCC[C@H]([NH2+]C[C@@H]1CCC2(C[NH2+]C2)O1)c1ccc(F)cc1F ZINC000662283521 431032357 /nfs/dbraw/zinc/03/23/57/431032357.db2.gz USQRFXJWALFDDA-BBRMVZONSA-N 2 0 310.388 2.917 20 0 DFADRP c1ccc(CCC[C@@H]2CCC[N@@H+]2C[C@H]2CCC3(C[NH2+]C3)O2)cc1 ZINC000662283568 431033023 /nfs/dbraw/zinc/03/30/23/431033023.db2.gz AONOQTKDXBDXPW-RTBURBONSA-N 2 0 314.473 2.995 20 0 DFADRP c1ccc(C[C@@H]2CCCC[C@H]2[NH2+]C[C@@H]2CCC3(C[NH2+]C3)O2)cc1 ZINC000662283496 431033488 /nfs/dbraw/zinc/03/34/88/431033488.db2.gz UEESQYOLKSTSSU-GBESFXJTSA-N 2 0 314.473 2.899 20 0 DFADRP COc1cccc(OCC[N@@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)c1 ZINC000662294569 431034382 /nfs/dbraw/zinc/03/43/82/431034382.db2.gz QXOARHAPKDTJBM-QGZVFWFLSA-N 2 0 318.461 2.786 20 0 DFADRP C[C@H](c1nc(C2CC2)no1)[N@@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662294664 431034437 /nfs/dbraw/zinc/03/44/37/431034437.db2.gz DNYGORYKYSUBGO-IUODEOHRSA-N 2 0 304.438 2.720 20 0 DFADRP CC[C@H](CC(F)F)C[N@@H+]1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000662286906 431034478 /nfs/dbraw/zinc/03/44/78/431034478.db2.gz TVMSKJIYAQEHNK-CBBWQLFWSA-N 2 0 304.425 2.886 20 0 DFADRP CC(C)N(C(=O)[C@@H](C)[NH+]1CCC([C@@H]2CCC[NH2+]C2)CC1)C(C)C ZINC000662291100 431035039 /nfs/dbraw/zinc/03/50/39/431035039.db2.gz PFCMPMQCQUTCCK-SJLPKXTDSA-N 2 0 323.525 2.732 20 0 DFADRP CC(=O)Nc1cccc(C[N@@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)c1 ZINC000662299026 431038536 /nfs/dbraw/zinc/03/85/36/431038536.db2.gz ZHULQVIMRDDHQP-SFHVURJKSA-N 2 0 315.461 2.857 20 0 DFADRP CCCCc1noc(C[N@@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)n1 ZINC000662295959 431038570 /nfs/dbraw/zinc/03/85/70/431038570.db2.gz JGLQIHCWYKWKJZ-OAHLLOKOSA-N 2 0 306.454 2.624 20 0 DFADRP CN(CCc1ccccc1)[C@H]1CC[N@H+](CCC2CC[NH2+]CC2)C1 ZINC000662306237 431040349 /nfs/dbraw/zinc/04/03/49/431040349.db2.gz PKAGVUCMLCMEFK-FQEVSTJZSA-N 2 0 315.505 2.625 20 0 DFADRP Cn1cc(C[C@@H]2CCC[C@@H]2[NH2+]Cc2ccc3c(c2)C[NH2+]CC3)cn1 ZINC000662311553 431042305 /nfs/dbraw/zinc/04/23/05/431042305.db2.gz UKHNTQREGGDIQO-ICSRJNTNSA-N 2 0 324.472 2.567 20 0 DFADRP [NH3+][C@@H](Cc1ccccc1)[C@@H](O)C[N@@H+]1CCCC[C@@H]1CC1CCC1 ZINC000662318747 431044229 /nfs/dbraw/zinc/04/42/29/431044229.db2.gz FVWIGQHFXRZGEH-AABGKKOBSA-N 2 0 316.489 2.962 20 0 DFADRP C[N@H+](C[C@H](O)[C@@H]([NH3+])Cc1ccccc1)C[C@@H]1CCc2ccccc21 ZINC000662320991 431046025 /nfs/dbraw/zinc/04/60/25/431046025.db2.gz GDDJGOOXRWVESV-JBACZVJFSA-N 2 0 324.468 2.579 20 0 DFADRP C[NH+](C)CCC[C@@H]1C[N@H+](C[C@@H]2CCCCC2(F)F)CCO1 ZINC000662325752 431047131 /nfs/dbraw/zinc/04/71/31/431047131.db2.gz JKIXERGVCCFAEB-LSDHHAIUSA-N 2 0 304.425 2.855 20 0 DFADRP CC(C)[NH2+]CC(=O)NCc1ccc(C[N@@H+]2CCCC[C@H]2C)cc1 ZINC000662387208 431069926 /nfs/dbraw/zinc/06/99/26/431069926.db2.gz JHKNJILIQBDKEE-MRXNPFEDSA-N 2 0 317.477 2.675 20 0 DFADRP CCc1nccn1[C@H](C)CC(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000665857643 431051312 /nfs/dbraw/zinc/05/13/12/431051312.db2.gz BDRPWUVJOJPKAP-CYBMUJFWSA-N 2 0 320.481 2.822 20 0 DFADRP CC(C)([NH3+])CCC(=O)NCC1CC[NH+](Cc2cccs2)CC1 ZINC000649309027 431062777 /nfs/dbraw/zinc/06/27/77/431062777.db2.gz PLEMHVPXHFFOPP-UHFFFAOYSA-N 2 0 323.506 2.594 20 0 DFADRP C[C@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)C2CCC([NH3+])CC2)C1 ZINC000649311540 431063632 /nfs/dbraw/zinc/06/36/32/431063632.db2.gz YIXZUVHFLQXOIZ-KNXWPPODSA-N 2 0 321.509 2.617 20 0 DFADRP [NH3+][C@@H]1CCCCCC[C@H]1C(=O)Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000649319256 431064290 /nfs/dbraw/zinc/06/42/90/431064290.db2.gz SMFKOOUVPYQFEJ-HZPDHXFCSA-N 2 0 313.405 2.504 20 0 DFADRP [NH3+][C@H]1CCCCCC[C@H]1C(=O)Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000649319254 431065479 /nfs/dbraw/zinc/06/54/79/431065479.db2.gz SMFKOOUVPYQFEJ-CVEARBPZSA-N 2 0 313.405 2.504 20 0 DFADRP C[C@H](NC(=O)C(C)(C)[C@@H]([NH3+])c1ccccc1)C1CC[NH+](C)CC1 ZINC000649314635 431065576 /nfs/dbraw/zinc/06/55/76/431065576.db2.gz HPHVXTRRLMWYIP-YOEHRIQHSA-N 2 0 317.477 2.559 20 0 DFADRP CC[C@H]([NH2+]C)C(=O)NC[C@@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC000662382381 431066186 /nfs/dbraw/zinc/06/61/86/431066186.db2.gz JBRJJVDUFNNHGH-HOTGVXAUSA-N 2 0 323.868 2.591 20 0 DFADRP CC(C)[NH2+]CC(=O)Nc1ccc(C[NH+]2CCC(C)CC2)cc1 ZINC000662388649 431068455 /nfs/dbraw/zinc/06/84/55/431068455.db2.gz RPQSCMCHKXQCMA-UHFFFAOYSA-N 2 0 303.450 2.855 20 0 DFADRP CC(C)[NH2+]CC(=O)NCc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000662386701 431068568 /nfs/dbraw/zinc/06/85/68/431068568.db2.gz FDZNSVKJMDWDBP-MRXNPFEDSA-N 2 0 317.477 2.533 20 0 DFADRP C[N@@H+](Cc1ccc(C(F)(F)F)cc1)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662248689 431013047 /nfs/dbraw/zinc/01/30/47/431013047.db2.gz ASMRLFMRGNKRCI-CQSZACIVSA-N 2 0 314.351 2.658 20 0 DFADRP CCN(C(=O)c1ccc(C[NH+](CC)CC)o1)[C@@H]1CCC[NH2+]CC1 ZINC000655455227 431014207 /nfs/dbraw/zinc/01/42/07/431014207.db2.gz HOOFTTHPEMWHSA-OAHLLOKOSA-N 2 0 321.465 2.726 20 0 DFADRP c1ccc(CC[N@H+](C[C@H]2CCC3(C[NH2+]C3)O2)C2CCCC2)cc1 ZINC000662255701 431014803 /nfs/dbraw/zinc/01/48/03/431014803.db2.gz CLWUUVCKSOQCEO-LJQANCHMSA-N 2 0 314.473 2.995 20 0 DFADRP CC(C)C[C@@](C)(C[NH3+])NC(=O)c1ccc2c(c1)[C@@H](C[NH3+])CCC2 ZINC000659289006 431015000 /nfs/dbraw/zinc/01/50/00/431015000.db2.gz BAUUBUUERQIROI-APWZRJJASA-N 2 0 317.477 2.559 20 0 DFADRP C[C@H]([NH2+]CCc1cc(C(F)(F)F)ccn1)C1CC[NH+](C)CC1 ZINC000645491267 431015941 /nfs/dbraw/zinc/01/59/41/431015941.db2.gz RZHDCWUWHWKRNT-LBPRGKRZSA-N 2 0 315.383 2.963 20 0 DFADRP Cc1ccc(C[C@H]2CCC[N@H+](C[C@H]3CCC4(C[NH2+]C4)O3)C2)cc1 ZINC000662256150 431016451 /nfs/dbraw/zinc/01/64/51/431016451.db2.gz HDZAXVIJGNBRJS-RTBURBONSA-N 2 0 314.473 2.771 20 0 DFADRP Clc1ccccc1C[C@H]1CCC[N@@H+]1C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662253019 431016785 /nfs/dbraw/zinc/01/67/85/431016785.db2.gz GLHHJFKKGKDQEZ-CVEARBPZSA-N 2 0 320.864 2.868 20 0 DFADRP C[C@@H]([NH2+]CCc1cc(C(F)(F)F)ccn1)C1CC[NH+](C)CC1 ZINC000645491264 431016928 /nfs/dbraw/zinc/01/69/28/431016928.db2.gz RZHDCWUWHWKRNT-GFCCVEGCSA-N 2 0 315.383 2.963 20 0 DFADRP C[C@@H]1C[N@H+](C[C@@H]2CCC3(C[NH2+]C3)O2)CC[C@@H]1c1ccccc1 ZINC000662257541 431017868 /nfs/dbraw/zinc/01/78/68/431017868.db2.gz POTRFTZIJIJPKU-NJAFHUGGSA-N 2 0 300.446 2.633 20 0 DFADRP CC(C)(C)[N@@H+]1CC[C@H](CNC(=O)CC2(C[NH3+])CCCCC2)C1 ZINC000662592326 431125004 /nfs/dbraw/zinc/12/50/04/431125004.db2.gz IXOPMAYMTUEEJZ-OAHLLOKOSA-N 2 0 309.498 2.522 20 0 DFADRP CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)[C@H]1CCCCCC[C@@H]1[NH3+] ZINC000649341723 431070768 /nfs/dbraw/zinc/07/07/68/431070768.db2.gz SRDIMVANPHASCA-ULQDDVLXSA-N 2 0 309.498 2.617 20 0 DFADRP C[N@H+](CCNC(=O)C[C@@H]1[NH2+]Cc2ccccc21)C1CCCCC1 ZINC000662414504 431076255 /nfs/dbraw/zinc/07/62/55/431076255.db2.gz AEPMHEAYDHJPOA-SFHVURJKSA-N 2 0 315.461 2.602 20 0 DFADRP Cc1ccc([C@@H](CNC(=O)C[C@@H]([NH3+])C(C)C)[NH+]2CCCC2)cc1 ZINC000645801974 431078202 /nfs/dbraw/zinc/07/82/02/431078202.db2.gz YLINIFGZDRSEEH-QZTJIDSGSA-N 2 0 317.477 2.622 20 0 DFADRP CCC[NH+](CCC)CCCC(=O)N[C@H]1CC[NH2+]C12CCCC2 ZINC000649373352 431080128 /nfs/dbraw/zinc/08/01/28/431080128.db2.gz WYNVHXPYXJKQOC-INIZCTEOSA-N 2 0 309.498 2.680 20 0 DFADRP CC[C@H](C)[N@H+](C)CCNC(=O)c1ccc2c(c1)[C@@H](C[NH3+])CCC2 ZINC000662438733 431082248 /nfs/dbraw/zinc/08/22/48/431082248.db2.gz ASMBYTGDYGFNQT-WMLDXEAASA-N 2 0 317.477 2.525 20 0 DFADRP CC[C@H]([NH2+]C)C(=O)NCC1([NH2+][C@@H](C)c2ccccc2)CCCC1 ZINC000662452018 431085013 /nfs/dbraw/zinc/08/50/13/431085013.db2.gz OKKOCMDSUYSIKR-RDJZCZTQSA-N 2 0 317.477 2.764 20 0 DFADRP COc1ccc(F)cc1[C@H](C)[NH2+]C1CCN([C@H]2CCOC2)CC1 ZINC000655694639 431085242 /nfs/dbraw/zinc/08/52/42/431085242.db2.gz IUBDBPXBSIBFTE-BBRMVZONSA-N 2 0 322.424 2.738 20 0 DFADRP C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)C[C@@H]1[NH2+]Cc2ccccc21 ZINC000662450617 431085465 /nfs/dbraw/zinc/08/54/65/431085465.db2.gz UBQPXBPCWUJGNL-RKVPGOIHSA-N 2 0 315.461 2.600 20 0 DFADRP C[C@@H]1C[C@@H](N(C)C[C@H]2CC[NH2+]C2)CC[N@@H+]1Cc1ccccc1 ZINC000649413519 431092638 /nfs/dbraw/zinc/09/26/38/431092638.db2.gz CIBAFYHYFJLNCP-NEWSRXKRSA-N 2 0 301.478 2.581 20 0 DFADRP Cc1ccccc1CN1CCC[N@H+](CC[C@H]2CC[NH2+]C2)CC1 ZINC000649411568 431092818 /nfs/dbraw/zinc/09/28/18/431092818.db2.gz HFFJEQIIZSHCQR-GOSISDBHSA-N 2 0 301.478 2.502 20 0 DFADRP CC[C@@H](NC1CC[NH+]([C@@H]2CCOC2)CC1)c1nc(C)cs1 ZINC000655712440 431093382 /nfs/dbraw/zinc/09/33/82/431093382.db2.gz NOKMRWIBCCATRB-HUUCEWRRSA-N 2 0 309.479 2.746 20 0 DFADRP c1ccc2c(c1)cccc2C[NH+]1CCN(C[C@@H]2CC[NH2+]C2)CC1 ZINC000649411022 431093668 /nfs/dbraw/zinc/09/36/68/431093668.db2.gz DDXGTJKYKRAQDE-QGZVFWFLSA-N 2 0 309.457 2.567 20 0 DFADRP COc1cc(Cl)ccc1C[NH2+]C1CCN([C@@H]2CCOC2)CC1 ZINC000655711449 431094060 /nfs/dbraw/zinc/09/40/60/431094060.db2.gz JSEBJFKEDQIKLT-MRXNPFEDSA-N 2 0 324.852 2.692 20 0 DFADRP Oc1cccc2c1CC[C@H]2[NH2+]C1CCN(C[C@H]2CCCO2)CC1 ZINC000655714340 431094923 /nfs/dbraw/zinc/09/49/23/431094923.db2.gz AYMXDUHYPPWPLB-CRAIPNDOSA-N 2 0 316.445 2.613 20 0 DFADRP Cc1ccnc(NC[C@@H]2CC[N@H+](CC[C@@H]3CCC[NH2+]C3)C2)c1 ZINC000649414741 431095183 /nfs/dbraw/zinc/09/51/83/431095183.db2.gz UVWYGVZYAWUCKN-IRXDYDNUSA-N 2 0 302.466 2.514 20 0 DFADRP CN(Cc1ccccc1)[C@H]1CC[N@H+](CC[C@H]2CCC[NH2+]C2)C1 ZINC000649413971 431095437 /nfs/dbraw/zinc/09/54/37/431095437.db2.gz ZVJGCIAQIKQHAT-MJGOQNOKSA-N 2 0 301.478 2.582 20 0 DFADRP CN(CC[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1)c1ccccc1 ZINC000649418219 431096082 /nfs/dbraw/zinc/09/60/82/431096082.db2.gz JRUMOBICHUEVHQ-QZTJIDSGSA-N 2 0 301.478 2.834 20 0 DFADRP Cc1ccnc(NC[C@@H]2CC[N@H+](CC[C@H]3CCC[NH2+]C3)C2)c1 ZINC000649414742 431096909 /nfs/dbraw/zinc/09/69/09/431096909.db2.gz UVWYGVZYAWUCKN-SJORKVTESA-N 2 0 302.466 2.514 20 0 DFADRP Cc1ccnc(NC[C@H]2CC[N@H+](CC[C@H]3CCC[NH2+]C3)C2)c1 ZINC000649414740 431096980 /nfs/dbraw/zinc/09/69/80/431096980.db2.gz UVWYGVZYAWUCKN-IAGOWNOFSA-N 2 0 302.466 2.514 20 0 DFADRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H]2CC[C@@H](C)SC2)[C@@H](C)C1 ZINC000655714859 431097178 /nfs/dbraw/zinc/09/71/78/431097178.db2.gz FNVSYYKMVVRRHD-HZMVEIRTSA-N 2 0 314.539 2.997 20 0 DFADRP C[C@@H]1CC[C@H]([NH2+]C2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)CS1 ZINC000655733168 431105330 /nfs/dbraw/zinc/10/53/30/431105330.db2.gz JUBXUPWGKXYJQK-XBVQOTNRSA-N 2 0 312.523 2.628 20 0 DFADRP C[NH+](C)Cc1cccc(CNC(=O)C[C@H]2[NH2+]Cc3ccccc32)c1 ZINC000662526161 431107035 /nfs/dbraw/zinc/10/70/35/431107035.db2.gz SYQDVUJKMBQRLO-LJQANCHMSA-N 2 0 323.440 2.599 20 0 DFADRP CC[N@H+](C)Cc1cccc(CNC(=O)CCC2CC[NH2+]CC2)c1 ZINC000236876125 279040723 /nfs/dbraw/zinc/04/07/23/279040723.db2.gz DVRNWYAWPPYROD-UHFFFAOYSA-N 2 0 317.477 2.534 20 0 DFADRP CC[N@H+](C)[C@@H](C(=O)N1CCC[C@@H]([NH+](C)C)CC1)c1ccccc1 ZINC000277157653 279042487 /nfs/dbraw/zinc/04/24/87/279042487.db2.gz IZDBBMHKQHMCGI-QZTJIDSGSA-N 2 0 317.477 2.622 20 0 DFADRP C[C@@H]1CC[C@@H]([NH2+]Cc2ccncc2OCCC[NH+](C)C)CS1 ZINC000655767906 431128119 /nfs/dbraw/zinc/12/81/19/431128119.db2.gz MXIGLMSWJSECQM-GDBMZVCRSA-N 2 0 323.506 2.786 20 0 DFADRP CC[NH+](CC)CCC[C@@H](C)NC(=O)c1ccc2c(c1)C[NH2+]C2 ZINC000316945032 279100690 /nfs/dbraw/zinc/10/06/90/279100690.db2.gz BTJHUZLGCIPERY-CQSZACIVSA-N 2 0 303.450 2.530 20 0 DFADRP CC[NH+](CC)[C@H](C(=O)N(C)CC[NH+]1CCCC1)c1ccccc1 ZINC000355624636 279152621 /nfs/dbraw/zinc/15/26/21/279152621.db2.gz XKSQMSLNCZCDKX-SFHVURJKSA-N 2 0 317.477 2.624 20 0 DFADRP CC[NH+](CC)[C@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC000361498186 279168147 /nfs/dbraw/zinc/16/81/47/279168147.db2.gz SAMWBBARMWBKDK-AEFFLSMTSA-N 2 0 321.509 2.584 20 0 DFADRP C[C@H](CC(=O)N1CCCCCC1)[NH2+]C1CC([NH+]2CCCCC2)C1 ZINC000376022037 279244861 /nfs/dbraw/zinc/24/48/61/279244861.db2.gz QXDXJNJOFQKYDK-WWDZGPRUSA-N 2 0 321.509 2.774 20 0 DFADRP CC(C)(C)[N@@H+]1CC[C@H](NC(=O)C(C)(C)[C@@H]([NH3+])c2ccccc2)C1 ZINC000662622166 431138091 /nfs/dbraw/zinc/13/80/91/431138091.db2.gz PULMNXGDRJAWLY-HOTGVXAUSA-N 2 0 317.477 2.702 20 0 DFADRP C[C@H](CCN[C@H]1CC[N@H+](C)C[C@@H]1C)[NH+](C)Cc1ccccc1 ZINC000156209860 279268186 /nfs/dbraw/zinc/26/81/86/279268186.db2.gz SKGLPIVQOKXOMS-SCTDSRPQSA-N 2 0 303.494 2.827 20 0 DFADRP CO[C@H](C[NH+]1CCC(C[NH+]2CCCCCC2)CC1)[C@H]1CCOC1 ZINC000659839891 431139387 /nfs/dbraw/zinc/13/93/87/431139387.db2.gz ZPKBQBHWRBSGKU-RBUKOAKNSA-N 2 0 324.509 2.626 20 0 DFADRP CN(C[C@H]1CCC[N@@H+]1C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000649560404 431161946 /nfs/dbraw/zinc/16/19/46/431161946.db2.gz LCXIELPJUMEFDY-LJQANCHMSA-N 2 0 301.478 2.677 20 0 DFADRP CCC[NH+]1CCC(N(C)C(=O)C[C@H]2[NH2+]Cc3ccccc32)CC1 ZINC000662691515 431162391 /nfs/dbraw/zinc/16/23/91/431162391.db2.gz SNUBGMLLUNATLN-GOSISDBHSA-N 2 0 315.461 2.554 20 0 DFADRP C[C@H](C[NH+]1CCC(C)CC1)NC(=O)CC[C@H]([NH3+])c1ccccc1 ZINC000662691802 431164718 /nfs/dbraw/zinc/16/47/18/431164718.db2.gz AUUYOFHUHWOXHI-AEFFLSMTSA-N 2 0 317.477 2.703 20 0 DFADRP C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)CC1(C[NH3+])CCCCC1 ZINC000662693666 431165332 /nfs/dbraw/zinc/16/53/32/431165332.db2.gz KRVLLDUNVUICJN-INIZCTEOSA-N 2 0 309.498 2.522 20 0 DFADRP C[C@@H]1C[C@H](C)C[N@@H+](CCN2CCC[C@@H]([NH+]3CCCC3)CC2)C1 ZINC000659943800 431201168 /nfs/dbraw/zinc/20/11/68/431201168.db2.gz FILAEADIWJVWMU-CEXWTWQISA-N 2 0 307.526 2.915 20 0 DFADRP C[N@@H+]1CCC[C@@H]1CC[NH+]1CCC[C@@H](O)[C@H]1CCc1ccccc1 ZINC000646073978 431173921 /nfs/dbraw/zinc/17/39/21/431173921.db2.gz MRAXYWYEUISECR-VAMGGRTRSA-N 2 0 316.489 2.929 20 0 DFADRP CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)C2([NH2+]C3CC3)CCC2)C1 ZINC000662729040 431175948 /nfs/dbraw/zinc/17/59/48/431175948.db2.gz GAXWALAFINKMPP-OAHLLOKOSA-N 2 0 321.509 2.678 20 0 DFADRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H](C)Cc2ccccn2)[C@@H](C)C1 ZINC000655836210 431177611 /nfs/dbraw/zinc/17/76/11/431177611.db2.gz FXCQXLABKXCEGH-LNLFQRSKSA-N 2 0 319.493 2.739 20 0 DFADRP CC[C@@H](CC(F)F)C[N@H+](C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000659892133 431177879 /nfs/dbraw/zinc/17/78/79/431177879.db2.gz RWZBIDSDCBJWKE-KBPBESRZSA-N 2 0 306.441 2.692 20 0 DFADRP O=C(NC1CC[NH+](C2CCCCC2)CC1)C1([NH2+]C2CC2)CCC1 ZINC000662746027 431185398 /nfs/dbraw/zinc/18/53/98/431185398.db2.gz INZOUTNJXOGIRR-UHFFFAOYSA-N 2 0 319.493 2.574 20 0 DFADRP CC[C@@H](CC(F)F)C[NH+]1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000659908401 431185934 /nfs/dbraw/zinc/18/59/34/431185934.db2.gz FGMXIVFEQAISKR-HOTGVXAUSA-N 2 0 317.468 2.770 20 0 DFADRP C[NH+]1CCC2(CC1)C[N@@H+]([C@@H]1CCCc3ccccc31)CCO2 ZINC000646104380 431187236 /nfs/dbraw/zinc/18/72/36/431187236.db2.gz LPQMDOBDNCBNBN-GOSISDBHSA-N 2 0 300.446 2.861 20 0 DFADRP Cc1ccc(C[NH+]2CC[C@H](C[N@@H+](C)CC3(C)COC3)C2)s1 ZINC000649604009 431190407 /nfs/dbraw/zinc/19/04/07/431190407.db2.gz NILXSFGUXBWEKK-OAHLLOKOSA-N 2 0 308.491 2.847 20 0 DFADRP C[C@@H]1CC[C@@H](C)[NH+]1[C@H]1CCCN(C(=O)C2([NH2+]C3CC3)CCC2)C1 ZINC000662787755 431196105 /nfs/dbraw/zinc/19/61/05/431196105.db2.gz FEDUDCWHWWKHCM-INMHGKMJSA-N 2 0 319.493 2.525 20 0 DFADRP COc1ccc(C[C@@H](C)[NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)c(C)c1OC ZINC000655804017 431154821 /nfs/dbraw/zinc/15/48/21/431154821.db2.gz LWWAPEDTUFVFGC-UNEWFSDZSA-N 2 0 320.477 2.873 20 0 DFADRP CO[C@](C)(CO)C[NH2+]C1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC000655802818 431155509 /nfs/dbraw/zinc/15/55/09/431155509.db2.gz YCWXSVOPFLTACT-SFHVURJKSA-N 2 0 314.514 2.653 20 0 DFADRP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CC[NH+](C[C@@H]2C[C@H]3C[C@H]3C2)CC1 ZINC000659864455 431156811 /nfs/dbraw/zinc/15/68/11/431156811.db2.gz LGWXHDIYHXOSGF-IEWDOMPSSA-N 2 0 305.510 2.523 20 0 DFADRP COc1ccc([C@@H](C)[NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)cc1NC(C)=O ZINC000655805917 431157055 /nfs/dbraw/zinc/15/70/55/431157055.db2.gz NFKOZIDMXXVROW-XPKDYRNWSA-N 2 0 319.449 2.644 20 0 DFADRP C[C@@H]1C[C@@H]([NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)CCN1Cc1ccccc1 ZINC000655806710 431157780 /nfs/dbraw/zinc/15/77/80/431157780.db2.gz ZPUNRVBIVRZPCK-LMCOJAPRSA-N 2 0 315.505 2.969 20 0 DFADRP COc1ccc2c(c1)[C@H]([NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1)CCCO2 ZINC000655805735 431158018 /nfs/dbraw/zinc/15/80/18/431158018.db2.gz RVNMUKQQBKQXSF-JKIFEVAISA-N 2 0 304.434 2.839 20 0 DFADRP C[C@@H]1C[C@@H]([NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)CN1Cc1ccccc1 ZINC000655805319 431158044 /nfs/dbraw/zinc/15/80/44/431158044.db2.gz FWDZOCQEYAHQSV-OWYHZJEWSA-N 2 0 301.478 2.579 20 0 DFADRP C[C@@H](CCc1ccc2c(c1)OCO2)[NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000655807691 431158168 /nfs/dbraw/zinc/15/81/68/431158168.db2.gz RCNGRLCXFUCKRC-CWRNSKLLSA-N 2 0 304.434 2.666 20 0 DFADRP CC[NH+](CC)[C@@H](CNC(=O)[C@H]1[NH2+]CCC1(C)C)c1ccsc1 ZINC000662678850 431158642 /nfs/dbraw/zinc/15/86/42/431158642.db2.gz JYTQJFPHIIFIDA-LSDHHAIUSA-N 2 0 323.506 2.635 20 0 DFADRP C[C@@H]1C[C@H]([NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)CN1Cc1ccccc1 ZINC000655805321 431158666 /nfs/dbraw/zinc/15/86/66/431158666.db2.gz FWDZOCQEYAHQSV-YSHGAJCASA-N 2 0 301.478 2.579 20 0 DFADRP C[NH+](C)[C@H]1C[C@@H](C[NH2+][C@H](c2ncc[nH]2)c2ccc(F)cc2)C1 ZINC000655805407 431158701 /nfs/dbraw/zinc/15/87/01/431158701.db2.gz NEPATOYOOAWUSH-MAZHCROVSA-N 2 0 302.397 2.568 20 0 DFADRP C[C@H]1CCCC[N@@H+]1Cc1ccc(NC(=O)CC2([NH3+])CC2)cc1 ZINC000662674995 431158721 /nfs/dbraw/zinc/15/87/21/431158721.db2.gz IIPSIYZMIJEZOT-AWEZNQCLSA-N 2 0 301.434 2.881 20 0 DFADRP C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)C2([NH3+])CC3(CCC3)C2)C1 ZINC000662681717 431159628 /nfs/dbraw/zinc/15/96/28/431159628.db2.gz CCRBKSPUBGIYQN-HZPDHXFCSA-N 2 0 321.509 2.522 20 0 DFADRP CC(C)[C@@H](CNC(=O)C1([NH2+]C2CC2)CCC1)[NH+]1CCC(C)CC1 ZINC000662679926 431160220 /nfs/dbraw/zinc/16/02/20/431160220.db2.gz RSPONPJISJFFNB-QGZVFWFLSA-N 2 0 321.509 2.534 20 0 DFADRP C[NH2+]Cc1ccccc1NC(=O)N[C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000655907885 431214137 /nfs/dbraw/zinc/21/41/37/431214137.db2.gz PIEQXQZOWFSIAT-DLBZAZTESA-N 2 0 316.449 2.544 20 0 DFADRP CCC(C)(C)[NH+]1CCN(C(=O)Nc2cc(C)cc(C[NH3+])c2)CC1 ZINC000655910347 431214879 /nfs/dbraw/zinc/21/48/79/431214879.db2.gz YSNNCSRYOYFHNH-UHFFFAOYSA-N 2 0 318.465 2.792 20 0 DFADRP C[N@@H+](Cc1ccc(C[NH+]2CCCCC2)cc1)C[C@H](O)C1CC1 ZINC000663076511 431280274 /nfs/dbraw/zinc/28/02/74/431280274.db2.gz BFJDBNAQQMOLTC-IBGZPJMESA-N 2 0 302.462 2.875 20 0 DFADRP C[C@H]1C[N@@H+]([C@@H]2C[C@@H]2c2ccccc2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000660154158 431294648 /nfs/dbraw/zinc/29/46/48/431294648.db2.gz JIDJWBGVDUFDBL-MTFMMBMASA-N 2 0 313.489 2.500 20 0 DFADRP CC(C)C[N@H+](C)CCCNC(=O)CC[C@@H]([NH3+])c1ccccc1 ZINC000653176227 431295260 /nfs/dbraw/zinc/29/52/60/431295260.db2.gz NKYNMLMDLNUYBL-QGZVFWFLSA-N 2 0 305.466 2.561 20 0 DFADRP CC(C)[C@@H]([NH3+])CC(=O)N[C@H](C[NH+]1CCCCC1)c1ccccc1 ZINC000646409858 431300893 /nfs/dbraw/zinc/30/08/93/431300893.db2.gz BIYDOPULDBPAQA-ZWKOTPCHSA-N 2 0 317.477 2.703 20 0 DFADRP Cn1cnc(C[N@H+](C)CCC2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000660166673 431301030 /nfs/dbraw/zinc/30/10/30/431301030.db2.gz SFPGQSCFASYRKD-UHFFFAOYSA-N 2 0 313.449 2.554 20 0 DFADRP Cc1ccccc1C[N@@H+]1CCCN(CC[NH2+]C(C)(C)C)CC1 ZINC000666619040 431301291 /nfs/dbraw/zinc/30/12/91/431301291.db2.gz JOLOINHPLBYLTN-UHFFFAOYSA-N 2 0 303.494 2.891 20 0 DFADRP [NH3+][C@@H]1CCC[C@H]([NH2+]C[C@@H]2CCN(c3ccc(F)c(F)c3)C2)C1 ZINC000656196032 431303118 /nfs/dbraw/zinc/30/31/18/431303118.db2.gz UHTKTSFOUAEFSB-MJBXVCDLSA-N 2 0 309.404 2.651 20 0 DFADRP CC[N@H+](CCCNC(=O)[C@]1(C)CCCC[NH2+]1)C1CCCCC1 ZINC000653200941 431305312 /nfs/dbraw/zinc/30/53/12/431305312.db2.gz VDTONTQULWZJAX-SFHVURJKSA-N 2 0 309.498 2.680 20 0 DFADRP CC[N@H+](CCCNC(=O)[C@H](C(C)C)[C@@H](C)[NH3+])C1CCCCC1 ZINC000653200634 431305685 /nfs/dbraw/zinc/30/56/85/431305685.db2.gz KZAJUVBXPNHEGX-NVXWUHKLSA-N 2 0 311.514 2.767 20 0 DFADRP CC[C@@H]([NH2+]Cc1cc(C2CC[NH2+]CC2)no1)[C@@H]1CCCCO1 ZINC000656201264 431306437 /nfs/dbraw/zinc/30/64/37/431306437.db2.gz MQXPRQRGMKXYKR-WBVHZDCISA-N 2 0 307.438 2.579 20 0 DFADRP [NH3+][C@@H]1CCC[C@H]([NH2+]C[C@H]2CCCN(Cc3cccs3)C2)C1 ZINC000656197091 431306549 /nfs/dbraw/zinc/30/65/49/431306549.db2.gz BURGSFNYCUIYBF-OAGGEKHMSA-N 2 0 307.507 2.820 20 0 DFADRP C[C@@H]1C[C@@H](C[N@@H+]2CC[C@@H](N(C)Cc3ccccc3)C2)CC[NH2+]1 ZINC000666645444 431312188 /nfs/dbraw/zinc/31/21/88/431312188.db2.gz SRCQPNQEQBNZNH-NZSAHSFTSA-N 2 0 301.478 2.581 20 0 DFADRP CC(C)[C@H]1CN(C(=O)CC[C@@H]([NH3+])CC2CCCCC2)CC[NH2+]1 ZINC000646329644 431270883 /nfs/dbraw/zinc/27/08/83/431270883.db2.gz RFVFREGFNNWNMK-IAGOWNOFSA-N 2 0 309.498 2.521 20 0 DFADRP CC(C)[N@H+](C)Cc1ccccc1CNC(=O)[C@H]1CCC[NH2+]CC1 ZINC000653108894 431270977 /nfs/dbraw/zinc/27/09/77/431270977.db2.gz LXIOBARGGCPIRD-INIZCTEOSA-N 2 0 317.477 2.533 20 0 DFADRP C[C@H]([NH2+]C(C)(C)CNC(=O)[C@@H]1CCC[NH2+]CC1)c1ccccc1 ZINC000653117914 431271208 /nfs/dbraw/zinc/27/12/08/431271208.db2.gz ZHDVZBHLIVDAFU-DOTOQJQBSA-N 2 0 317.477 2.622 20 0 DFADRP O[C@H](C[NH2+][C@H]1CCCC[C@H]1CC(F)(F)F)C[NH+]1CCCC1 ZINC000649837025 431324066 /nfs/dbraw/zinc/32/40/66/431324066.db2.gz YXQLYYUJSSDZSV-MJBXVCDLSA-N 2 0 308.388 2.544 20 0 DFADRP [NH3+]CCCC(=O)Nc1ccc(SCC[NH+]2CCCC2)cc1 ZINC000653252971 431337054 /nfs/dbraw/zinc/33/70/54/431337054.db2.gz BEGNHWSFCACTKU-UHFFFAOYSA-N 2 0 307.463 2.552 20 0 DFADRP C[C@@H]1C[NH+](CC2CC[NH+](CCOC(C)(C)C)CC2)C[C@@H](C)O1 ZINC000171304240 288153437 /nfs/dbraw/zinc/15/34/37/288153437.db2.gz MVTFOOFEHCOGBT-HZPDHXFCSA-N 2 0 312.498 2.623 20 0 DFADRP C[C@@H]([NH3+])c1ccc(C[NH2+]Cc2ccc(C(=O)NC3CC3)cc2)cc1 ZINC000666755376 431347192 /nfs/dbraw/zinc/34/71/92/431347192.db2.gz UJPQDLUHYJTMMM-CQSZACIVSA-N 2 0 323.440 2.888 20 0 DFADRP CC[C@@H](C)Oc1cc(C[NH2+]C[C@@H]2CCC[NH2+]C2)ccc1OC ZINC000666763674 431347807 /nfs/dbraw/zinc/34/78/07/431347807.db2.gz PGCXEVRFMZXEFY-GDBMZVCRSA-N 2 0 306.450 2.962 20 0 DFADRP CCc1ccccc1NC(=O)C[C@H](C)NC[C@H]1CCCC[NH2+]1 ZINC000666770243 431349918 /nfs/dbraw/zinc/34/99/18/431349918.db2.gz QBHYPFJRRZUIQU-GOEBONIOSA-N 2 0 303.450 2.698 20 0 DFADRP C[C@H]([NH2+]Cc1ccc(Oc2cnccn2)cc1)[C@@H]1CCC[NH2+]C1 ZINC000666774246 431353394 /nfs/dbraw/zinc/35/33/94/431353394.db2.gz WCENIAGJUWOQHQ-GOEBONIOSA-N 2 0 312.417 2.747 20 0 DFADRP Cn1cc(C[NH2+]CC[C@H]2CC[NH2+]C2)c(-c2cc3ccccc3o2)n1 ZINC000666787303 431359691 /nfs/dbraw/zinc/35/96/91/431359691.db2.gz CSVRRXBDECBBAE-CQSZACIVSA-N 2 0 324.428 2.923 20 0 DFADRP C[N@H+](C[C@@H]1CCn2ccnc2C1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000656504267 431413107 /nfs/dbraw/zinc/41/31/07/431413107.db2.gz RRYQCVKNIYEAMU-MOPGFXCFSA-N 2 0 324.472 2.652 20 0 DFADRP Brc1cc(C[NH2+][C@H]2CC23CC[NH2+]CC3)cs1 ZINC000666950779 431419093 /nfs/dbraw/zinc/41/90/93/431419093.db2.gz GUFAKLHQYOJLPN-JTQLQIEISA-N 2 0 301.253 2.742 20 0 DFADRP FC(F)(F)COc1ccccc1C[NH2+][C@@H]1CC12CC[NH2+]CC2 ZINC000666951963 431419548 /nfs/dbraw/zinc/41/95/48/431419548.db2.gz ADIAPXROZUTXJQ-CQSZACIVSA-N 2 0 314.351 2.859 20 0 DFADRP Cn1nc(C[NH2+]C2CCN(c3cc[nH+]cc3)CC2)c2ccccc21 ZINC000656541921 431420041 /nfs/dbraw/zinc/42/00/41/431420041.db2.gz QOCYTFKBORDHBM-UHFFFAOYSA-N 2 0 321.428 2.727 20 0 DFADRP FC(F)(F)Oc1ccc(C[NH2+][C@@H]2CC23CC[NH2+]CC3)cc1 ZINC000666950673 431420600 /nfs/dbraw/zinc/42/06/00/431420600.db2.gz AEGPHSJQVULSMC-CYBMUJFWSA-N 2 0 300.324 2.817 20 0 DFADRP Fc1ccc(C[NH2+][C@@H]2CC23CC[NH2+]CC3)cc1Br ZINC000666950962 431420754 /nfs/dbraw/zinc/42/07/54/431420754.db2.gz UCWWJRWCCGLEPH-CYBMUJFWSA-N 2 0 313.214 2.820 20 0 DFADRP Cc1nn(Cc2ccccc2)c(C)c1C[NH2+][C@H]1CC12CC[NH2+]CC2 ZINC000666950877 431421129 /nfs/dbraw/zinc/42/11/29/431421129.db2.gz ONRDEVWYNKUXJH-IBGZPJMESA-N 2 0 324.472 2.780 20 0 DFADRP C[C@@H]1C[C@H]([NH2+][C@@H]2CC23CC[NH2+]CC3)CCN1Cc1ccccc1 ZINC000666953932 431421907 /nfs/dbraw/zinc/42/19/07/431421907.db2.gz LJKQHHVOFVBPNC-BHIYHBOVSA-N 3 0 313.489 2.771 20 0 DFADRP Brc1ccsc1C[NH2+][C@H]1CC12CC[NH2+]CC2 ZINC000666953668 431422036 /nfs/dbraw/zinc/42/20/36/431422036.db2.gz DQTKVOHUPXYYFV-NSHDSACASA-N 2 0 301.253 2.742 20 0 DFADRP COc1ccc2nc(C[NH2+][C@H]3CC34CC[NH2+]CC4)sc2c1 ZINC000666953605 431422091 /nfs/dbraw/zinc/42/20/91/431422091.db2.gz BWUDFVRHXFISFZ-AWEZNQCLSA-N 2 0 303.431 2.537 20 0 DFADRP Fc1cccc(F)c1-c1n[nH]cc1C[NH2+][C@H]1CC12CC[NH2+]CC2 ZINC000666952212 431423295 /nfs/dbraw/zinc/42/32/95/431423295.db2.gz KNZPJCCZEQCELY-AWEZNQCLSA-N 2 0 318.371 2.587 20 0 DFADRP C[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+][C@H]2CC23CC[NH2+]CC3)CC1 ZINC000666953921 431423458 /nfs/dbraw/zinc/42/34/58/431423458.db2.gz LBSKBWVQBJHSTQ-NXHRZFHOSA-N 2 0 305.510 2.761 20 0 DFADRP c1ccc(N2CC[C@H]([NH2+]C[C@@H]3CCC[N@H+](CC4CC4)C3)C2)cc1 ZINC000663347153 431375493 /nfs/dbraw/zinc/37/54/93/431375493.db2.gz ZWHHUWFBZKZTHO-OALUTQOASA-N 2 0 313.489 2.977 20 0 DFADRP COc1cccc(-c2n[nH]cc2C[NH2+]C[C@@]2(C)CCC[NH2+]C2)c1 ZINC000666842271 431379875 /nfs/dbraw/zinc/37/98/75/431379875.db2.gz IPTPQPULOWUVGP-SFHVURJKSA-N 2 0 314.433 2.565 20 0 DFADRP CCC[NH+]1CCC(C[NH2+]CCC(=O)N(C)c2ccccc2)CC1 ZINC000663361014 431384513 /nfs/dbraw/zinc/38/45/13/431384513.db2.gz UPTMASMJDGMDGB-UHFFFAOYSA-N 2 0 317.477 2.751 20 0 DFADRP Cc1cccc(NC(=O)C[C@H](C)[NH2+][C@H]2CCC[NH2+]CC2)c1C ZINC000666857760 431387590 /nfs/dbraw/zinc/38/75/90/431387590.db2.gz HYPANMJJEHZVKX-HOCLYGCPSA-N 2 0 303.450 2.752 20 0 DFADRP C[N@@H+]1CCC[C@@H](N2CC[NH+](CC3CCC(F)(F)CC3)CC2)C1 ZINC000656469275 431397089 /nfs/dbraw/zinc/39/70/89/431397089.db2.gz RTKSPRIVSFPNOZ-MRXNPFEDSA-N 2 0 315.452 2.524 20 0 DFADRP Cc1[nH+]c2ccccc2c(NCCC[NH+]2CCC(O)CC2)c1C ZINC000663403677 431408779 /nfs/dbraw/zinc/40/87/79/431408779.db2.gz YNPZISQLEOFPDV-UHFFFAOYSA-N 2 0 313.445 2.532 20 0 DFADRP CCOc1ccc(C[NH2+][C@@H]2CC[NH2+]C3(CCC3)C2)cc1OC ZINC000666999465 431441177 /nfs/dbraw/zinc/44/11/77/431441177.db2.gz KORVNJTZCVULSO-OAHLLOKOSA-N 2 0 304.434 2.858 20 0 DFADRP COc1sc(C[NH2+]CC[C@@H]([NH3+])C(C)C)cc1Br ZINC000663499412 431446156 /nfs/dbraw/zinc/44/61/56/431446156.db2.gz JSKBAUHOBLOWFN-LLVKDONJSA-N 2 0 321.284 2.982 20 0 DFADRP Cc1ccc(C[NH2+]CC[C@@H]([NH3+])C(C)C)c(-c2cnn(C)c2)c1 ZINC000663503242 431448733 /nfs/dbraw/zinc/44/87/33/431448733.db2.gz LYBWIDANXFVRRM-GOSISDBHSA-N 2 0 300.450 2.859 20 0 DFADRP c1cc2c(cc[nH+]c2NCC2([NH+]3CCCC3)CCOCC2)[nH]1 ZINC000663546141 431462123 /nfs/dbraw/zinc/46/21/23/431462123.db2.gz LDMMEUWWHIQENT-UHFFFAOYSA-N 2 0 300.406 2.620 20 0 DFADRP C[C@H]([NH2+]CC1CC[NH+](C2CCOCC2)CC1)c1ccncc1 ZINC000656679493 431473057 /nfs/dbraw/zinc/47/30/57/431473057.db2.gz XOSOBPCZQKHERH-HNNXBMFYSA-N 2 0 303.450 2.623 20 0 DFADRP CO[C@@H](C[N@@H+]1CC[C@@H](CN(C)Cc2cccnc2)C1)C1CCC1 ZINC000660435779 431429307 /nfs/dbraw/zinc/42/93/07/431429307.db2.gz QNJOJIJXLOMQED-HKUYNNGSSA-N 2 0 317.477 2.650 20 0 DFADRP C[C@@H]([NH2+]C[C@@H]1CCC[N@H+](CC2CC2)C1)c1cccc(CO)c1 ZINC000663471819 431436218 /nfs/dbraw/zinc/43/62/18/431436218.db2.gz YMWJHGYVRQEWOX-QAPCUYQASA-N 2 0 302.462 2.952 20 0 DFADRP Cn1cnc2cc(C[N@@H+]3CCC[C@@H](C4CC[NH2+]CC4)C3)ccc21 ZINC000656783928 431519676 /nfs/dbraw/zinc/51/96/76/431519676.db2.gz WJJXVGMMVFSOJK-QGZVFWFLSA-N 2 0 312.461 2.785 20 0 DFADRP Fc1cccn2cc(C[N@@H+]3CCC[C@@H](C4CC[NH2+]CC4)C3)nc12 ZINC000656784343 431520192 /nfs/dbraw/zinc/52/01/92/431520192.db2.gz COMOAXYXSVUDEG-OAHLLOKOSA-N 2 0 316.424 2.685 20 0 DFADRP COc1cc(C)nc(C[N@@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)c1 ZINC000656782000 431521045 /nfs/dbraw/zinc/52/10/45/431521045.db2.gz CBMKUXKKEFBADC-MRXNPFEDSA-N 2 0 303.450 2.610 20 0 DFADRP CCOc1cccc(C[NH+]2CCC([C@H]3CCC[NH2+]C3)CC2)n1 ZINC000656785686 431522212 /nfs/dbraw/zinc/52/22/12/431522212.db2.gz IFVNEUMNCMVFPT-INIZCTEOSA-N 2 0 303.450 2.692 20 0 DFADRP Cc1cccc2c1C[NH2+]CCN2Cc1ccc2c(c1)C[NH2+]CC2 ZINC000656787083 431522316 /nfs/dbraw/zinc/52/23/16/431522316.db2.gz SRZHYBCJLROBOJ-UHFFFAOYSA-N 2 0 307.441 2.751 20 0 DFADRP c1cc2c(c(C[NH+]3CCC([C@@H]4CCC[NH2+]C4)CC3)c1)OCO2 ZINC000656786960 431522916 /nfs/dbraw/zinc/52/29/16/431522916.db2.gz YGUSXKKQXNZOEY-OAHLLOKOSA-N 2 0 302.418 2.627 20 0 DFADRP c1cc2c(c(C[N@@H+]3CCC[C@@H](C4CC[NH2+]CC4)C3)c1)OCO2 ZINC000656785139 431523141 /nfs/dbraw/zinc/52/31/41/431523141.db2.gz JJYHWBMQUDGMJB-OAHLLOKOSA-N 2 0 302.418 2.627 20 0 DFADRP c1cc([C@@H]2C[NH2+]CCO2)ccc1N[C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000656793234 431524253 /nfs/dbraw/zinc/52/42/53/431524253.db2.gz RKPLZODTQYPELF-MANSERQUSA-N 2 0 315.461 2.680 20 0 DFADRP CC[N@H+](C)C[C@@H](O)CN(C)Cc1oc2c(cccc2C)c1C ZINC000653778856 431524745 /nfs/dbraw/zinc/52/47/45/431524745.db2.gz GVECEUVUYPKXGG-OAHLLOKOSA-N 2 0 304.434 2.794 20 0 DFADRP c1cc2c(cc1CNc1ccc([C@@H]3C[NH2+]CCO3)cc1)C[NH2+]CC2 ZINC000656790959 431525613 /nfs/dbraw/zinc/52/56/13/431525613.db2.gz BTXLTWNBQRFVJB-FQEVSTJZSA-N 2 0 323.440 2.605 20 0 DFADRP C[N@@H+]1C[C@@H](CN[C@H]2CC[NH+]3CCC[C@H]3C2)[C@H](c2ccccc2)C1 ZINC000647249219 431528775 /nfs/dbraw/zinc/52/87/75/431528775.db2.gz KMXNSCREUASMHC-FYQPLNBISA-N 2 0 313.489 2.548 20 0 DFADRP C[C@H](C(=O)N1[C@H](C)CCC[C@H]1C)N1CCC[C@@]2(CC[N@H+](C)C2)C1 ZINC000660651488 431529002 /nfs/dbraw/zinc/52/90/02/431529002.db2.gz AMMNRYRRJTUBAA-MTNOOBJLSA-N 2 0 321.509 2.582 20 0 DFADRP CC(C)[N@H+](C)C[C@@H](O)C[NH+]1CCC[C@H]1CCc1ccccc1 ZINC000656701537 431486330 /nfs/dbraw/zinc/48/63/30/431486330.db2.gz XCWPJXFHTGEXJX-RBUKOAKNSA-N 2 0 304.478 2.785 20 0 DFADRP CN1CCC([NH2+][C@@H]2CCN(Cc3ccccc3)C3(CC3)C2)CC1 ZINC000647168962 431489627 /nfs/dbraw/zinc/48/96/27/431489627.db2.gz TUCTWRCZEWWAEC-LJQANCHMSA-N 2 0 313.489 2.867 20 0 DFADRP CCN1CCC[C@@H]1C[NH2+]Cc1cn(C)nc1-c1ccc(C)o1 ZINC000647167748 431489920 /nfs/dbraw/zinc/48/99/20/431489920.db2.gz RENPFBFVZGWOCZ-OAHLLOKOSA-N 2 0 302.422 2.562 20 0 DFADRP CC[C@H]([NH2+]CC(=O)NC1CC[NH+](C(C)C)CC1)C1CCCCC1 ZINC000663667506 431491519 /nfs/dbraw/zinc/49/15/19/431491519.db2.gz PDEMSFGTGJZHRF-SFHVURJKSA-N 2 0 323.525 2.924 20 0 DFADRP C[NH+](C)Cc1cccc(C[NH2+]Cc2ccnn2-c2ccccn2)c1 ZINC000647170179 431491936 /nfs/dbraw/zinc/49/19/36/431491936.db2.gz OPHNMAWEEQWUSD-UHFFFAOYSA-N 2 0 321.428 2.619 20 0 DFADRP CC[NH+](CC)CCOc1ccc(C[NH2+][C@H]2CO[C@@H](C)C2)cc1 ZINC000647171928 431492581 /nfs/dbraw/zinc/49/25/81/431492581.db2.gz AWDOPETXZNNTCC-DOTOQJQBSA-N 2 0 306.450 2.674 20 0 DFADRP CC[NH+](CC)CCOc1ccc(C[NH2+][C@@H]2CO[C@@H](C)C2)cc1 ZINC000647171930 431492700 /nfs/dbraw/zinc/49/27/00/431492700.db2.gz AWDOPETXZNNTCC-RDJZCZTQSA-N 2 0 306.450 2.674 20 0 DFADRP CC(C)Cn1nccc1C[NH2+]CCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000647184926 431499580 /nfs/dbraw/zinc/49/95/80/431499580.db2.gz IILOHCKARFVUOC-CALCHBBNSA-N 2 0 322.497 2.518 20 0 DFADRP O[C@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]C2CCC(F)(F)CC2)CC1 ZINC000647192882 431504099 /nfs/dbraw/zinc/50/40/99/431504099.db2.gz BJNKQCHWTDMXRG-HOTGVXAUSA-N 2 0 316.436 2.922 20 0 DFADRP CO[C@@H]1[C@H](C)[C@@H]([NH2+]C[C@@H]2C[N@H+](C)C[C@H]2c2ccccc2)C1(C)C ZINC000647344146 431557815 /nfs/dbraw/zinc/55/78/15/431557815.db2.gz KBJLKYWZOLXXGE-IQZDNPOKSA-N 2 0 316.489 2.981 20 0 DFADRP C[N@@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccc(-n3ccnc3)cc1)C2 ZINC000660657674 431535534 /nfs/dbraw/zinc/53/55/34/431535534.db2.gz RYKWXPNOWHTDIM-LJQANCHMSA-N 2 0 310.445 2.790 20 0 DFADRP c1ccc(C[NH2+]C2CCN(CC[NH+]3CCCCC3)CC2)cc1 ZINC000660679642 431548201 /nfs/dbraw/zinc/54/82/01/431548201.db2.gz QXDOTLMGOJTMEB-UHFFFAOYSA-N 2 0 301.478 2.727 20 0 DFADRP C[N@@H+]1CC[C@H]([NH2+][C@@H]2CCO[C@@H](c3cccnc3)C2)[C@@H]2CCC[C@@H]21 ZINC000647338377 431553272 /nfs/dbraw/zinc/55/32/72/431553272.db2.gz LWYQMTUDPTYEGO-HVMFNXBNSA-N 2 0 315.461 2.764 20 0 DFADRP CC[N@@H+]1CC[C@@H]([NH2+]CCc2cn3c(cccc3C)n2)[C@H](C)C1 ZINC000647364999 431564976 /nfs/dbraw/zinc/56/49/76/431564976.db2.gz VVORENISMLHGEZ-RHSMWYFYSA-N 2 0 300.450 2.505 20 0 DFADRP Cc1cccc2nc(CC[NH2+][C@@H]3CC[N@@H+](C)[C@@H]4CCC[C@@H]43)cn21 ZINC000647364102 431565078 /nfs/dbraw/zinc/56/50/78/431565078.db2.gz RUQXJRKVKXCYRC-KZNAEPCWSA-N 2 0 312.461 2.648 20 0 DFADRP C[C@](O)(C[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1)c1ccccc1 ZINC000157216730 280142839 /nfs/dbraw/zinc/14/28/39/280142839.db2.gz AJDVLMPWAIUREP-OALUTQOASA-N 2 0 302.462 2.844 20 0 DFADRP CC[C@@H]([NH2+]CCCN1CCC[N@H+](C)CC1)c1ccccc1F ZINC000180467623 280186952 /nfs/dbraw/zinc/18/69/52/280186952.db2.gz QVXHUCCZGMQANV-GOSISDBHSA-N 2 0 307.457 2.894 20 0 DFADRP CC[C@@H]1CC[C@H](C)C[C@H]1[NH2+][C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000366821289 280329887 /nfs/dbraw/zinc/32/98/87/280329887.db2.gz IBSPYXAPSAEVRR-DODZYUBVSA-N 2 0 307.526 2.959 20 0 DFADRP COCCOc1cccc(C[N@@H+]2CCC[C@H]([C@H]3CCC[NH2+]3)C2)c1 ZINC000647480698 431601138 /nfs/dbraw/zinc/60/11/38/431601138.db2.gz XLBUACWQWKSIAM-PKOBYXMFSA-N 2 0 318.461 2.676 20 0 DFADRP c1cnn(-c2cccc(C[N@@H+]3CCC[C@@H]([C@H]4CCC[NH2+]4)C3)c2)c1 ZINC000647480232 431603699 /nfs/dbraw/zinc/60/36/99/431603699.db2.gz HICRTRFWDQYILF-IEBWSBKVSA-N 2 0 310.445 2.836 20 0 DFADRP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCC[N@H+](Cc3cc(F)ccc3F)C2)C1 ZINC000650706630 431653627 /nfs/dbraw/zinc/65/36/27/431653627.db2.gz OSCJVWXTBRYCTR-VMGRFDJRSA-N 2 0 310.388 2.683 20 0 DFADRP COC[C@@H](C)Oc1ccc(C[NH2+]CCC[NH+]2CCCC2)cc1 ZINC000657295830 431654429 /nfs/dbraw/zinc/65/44/29/431654429.db2.gz JZCMFPDNZBHJKQ-MRXNPFEDSA-N 2 0 306.450 2.676 20 0 DFADRP [NH3+][C@@H]1CCO[C@H]([C@H]2CCC[N@H+](Cc3scnc3C3CC3)C2)C1 ZINC000650707746 431654644 /nfs/dbraw/zinc/65/46/44/431654644.db2.gz MGLRRVKRLOKGBG-ZNMIVQPWSA-N 2 0 321.490 2.739 20 0 DFADRP COc1ccc(C)cc1CC[NH2+]Cc1ccnn1-c1cc[nH+]cc1 ZINC000657296124 431655178 /nfs/dbraw/zinc/65/51/78/431655178.db2.gz SIOSREUMOQDIKG-UHFFFAOYSA-N 2 0 322.412 2.917 20 0 DFADRP COc1ccc(C[N@@H+]2CCC[C@H]([C@H]3C[C@H]([NH3+])CCO3)C2)c(F)c1 ZINC000650708982 431657551 /nfs/dbraw/zinc/65/75/51/431657551.db2.gz XSPOLHAEFUENRB-HDMKZQKVSA-N 2 0 322.424 2.553 20 0 DFADRP COc1ccc(C[N@@H+]2CCC[C@H]([C@@H]3C[C@H]([NH3+])CCO3)C2)c(F)c1 ZINC000650708981 431657797 /nfs/dbraw/zinc/65/77/97/431657797.db2.gz XSPOLHAEFUENRB-DAYGRLMNSA-N 2 0 322.424 2.553 20 0 DFADRP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCC[N@H+](Cc3cccc4c3CCC4)C2)C1 ZINC000650708920 431658101 /nfs/dbraw/zinc/65/81/01/431658101.db2.gz VNBRNDVDSILXMW-GGPKGHCWSA-N 2 0 314.473 2.894 20 0 DFADRP CCCCOc1ccccc1CN1C[C@@H](C[NH3+])[C@H](OCC)C1 ZINC000650714640 431658843 /nfs/dbraw/zinc/65/88/43/431658843.db2.gz VNUAIAJQYKMBHU-SJLPKXTDSA-N 2 0 306.450 2.661 20 0 DFADRP CCN(CC)[C@@H](C)C[NH2+]C[C@@H]1CCCO[C@H]1c1cnn(CC)c1 ZINC000657301401 431659928 /nfs/dbraw/zinc/65/99/28/431659928.db2.gz CWNVNVUVEIXKLN-XYJFISCASA-N 2 0 322.497 2.691 20 0 DFADRP CC(C)N(C)c1ccc(C[N@@H+]2CCC[C@H](C)[C@H]2CC[NH3+])cn1 ZINC000650712055 431660002 /nfs/dbraw/zinc/66/00/02/431660002.db2.gz PCGWHCSVJRFKPU-DOTOQJQBSA-N 2 0 304.482 2.876 20 0 DFADRP CC(C)[N@H+](C)C[C@H](O)C[NH+]1C[C@@H](c2ccccc2)C2(CCC2)C1 ZINC000660805246 431605157 /nfs/dbraw/zinc/60/51/57/431605157.db2.gz YWOGBLFFRKHGAF-OALUTQOASA-N 2 0 316.489 2.957 20 0 DFADRP CC[C@@H]1C[N@H+](Cc2ccc(OC[C@H]3CCCO3)cc2)CC[C@@H]1[NH3+] ZINC000647499019 431608805 /nfs/dbraw/zinc/60/88/05/431608805.db2.gz WYZRSBNXSMQRJW-QRQLOZEOSA-N 2 0 318.461 2.804 20 0 DFADRP CC[C@@H]1C[N@H+](Cc2ccc(Oc3cnccn3)cc2)CC[C@@H]1[NH3+] ZINC000647499088 431609402 /nfs/dbraw/zinc/60/94/02/431609402.db2.gz ZGEJTZRKULLNMX-WBVHZDCISA-N 2 0 312.417 2.828 20 0 DFADRP Cc1ccc(CCC[N@@H+](Cc2cccnc2)C[C@H]2CC[NH2+]C2)cn1 ZINC000647520351 431614071 /nfs/dbraw/zinc/61/40/71/431614071.db2.gz INBJCEMNWUIANJ-FQEVSTJZSA-N 2 0 324.472 2.829 20 0 DFADRP C[C@]1(C[NH+]2CCC(OCc3ccc(F)cc3)CC2)CC[NH2+]C1 ZINC000647518444 431614682 /nfs/dbraw/zinc/61/46/82/431614682.db2.gz KHOOTVVDZZMLLA-SFHVURJKSA-N 2 0 306.425 2.806 20 0 DFADRP CC[N@H+](Cc1ccc(C(=O)NC2CC2)cc1)[C@H]1CCC[NH2+]CC1 ZINC000647521660 431615618 /nfs/dbraw/zinc/61/56/18/431615618.db2.gz UFWCVPCHFCFPJR-SFHVURJKSA-N 2 0 315.461 2.543 20 0 DFADRP CCO[C@@H]1C[N@H+](Cc2cc3cc(C)c(C)cc3o2)C[C@H]1C[NH3+] ZINC000650715040 431661000 /nfs/dbraw/zinc/66/10/00/431661000.db2.gz MKAYFMCXZFFSBD-CRAIPNDOSA-N 2 0 302.418 2.845 20 0 DFADRP CCOc1cccc(C[N@@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)n1 ZINC000647543959 431623603 /nfs/dbraw/zinc/62/36/03/431623603.db2.gz UVRMOJLXIYCFTA-HZPDHXFCSA-N 2 0 303.450 2.692 20 0 DFADRP Cn1cc(C[N@@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)c(C(C)(C)C)n1 ZINC000647543883 431624833 /nfs/dbraw/zinc/62/48/33/431624833.db2.gz TWCGXRYDJPFAPQ-HZPDHXFCSA-N 2 0 318.509 2.929 20 0 DFADRP Cn1cc(C[N@@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)c(C(C)(C)C)n1 ZINC000647543881 431625029 /nfs/dbraw/zinc/62/50/29/431625029.db2.gz TWCGXRYDJPFAPQ-CVEARBPZSA-N 2 0 318.509 2.929 20 0 DFADRP [NH3+][C@@H]1CCO[C@H]1C1CC[NH+](Cc2cccc3cnccc32)CC1 ZINC000647544952 431625044 /nfs/dbraw/zinc/62/50/44/431625044.db2.gz KFBRZHCDGBJBDI-MOPGFXCFSA-N 2 0 311.429 2.563 20 0 DFADRP COCc1nc(C[N@@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)cs1 ZINC000647543065 431625225 /nfs/dbraw/zinc/62/52/25/431625225.db2.gz HAYJPWSSDFXXOD-KBPBESRZSA-N 2 0 309.479 2.501 20 0 DFADRP CC(C)c1ccc([C@H](N)C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000647546681 431625296 /nfs/dbraw/zinc/62/52/96/431625296.db2.gz VRBGUYVIXSKTSA-NCXUSEDFSA-N 2 0 301.478 2.788 20 0 DFADRP Cc1ccc2ncc(C[N@@H+]3CCC[C@H]([C@H]4CCC[NH2+]C4)C3)n2c1 ZINC000647543327 431626244 /nfs/dbraw/zinc/62/62/44/431626244.db2.gz LALCVKDDOLLADN-IRXDYDNUSA-N 2 0 312.461 2.854 20 0 DFADRP Cc1ccc(-c2nn(C)cc2C[NH2+]CCC[C@@H]2CCC[NH2+]2)o1 ZINC000647546874 431626423 /nfs/dbraw/zinc/62/64/23/431626423.db2.gz FPWMHYYJBLDYCT-OAHLLOKOSA-N 2 0 302.422 2.610 20 0 DFADRP c1coc(-c2nc(C[NH2+][C@@H]3CC[C@H]4C[NH2+]C[C@H]4C3)cs2)c1 ZINC000647549913 431627886 /nfs/dbraw/zinc/62/78/86/431627886.db2.gz XLTXMHMXSMBQBX-YNEHKIRRSA-N 2 0 303.431 2.881 20 0 DFADRP Cc1ccc(-c2nn(C)cc2C[NH2+][C@@H]2CC[NH2+]C3(CCC3)C2)o1 ZINC000647547786 431627989 /nfs/dbraw/zinc/62/79/89/431627989.db2.gz DQFMMFHRMVXBRD-OAHLLOKOSA-N 2 0 314.433 2.753 20 0 DFADRP Cc1c(Br)cncc1C[NH2+]C[C@H]1CC[N@@H+](C2CC2)C1 ZINC000657306884 431661712 /nfs/dbraw/zinc/66/17/12/431661712.db2.gz AXAHBLPIIYDEOY-GFCCVEGCSA-N 2 0 324.266 2.726 20 0 DFADRP C[NH2+]Cc1ccccc1C[NH2+]Cc1cncc(Br)c1 ZINC000650720177 431665306 /nfs/dbraw/zinc/66/53/06/431665306.db2.gz HDQOQHPVPUTHQU-UHFFFAOYSA-N 2 0 320.234 2.853 20 0 DFADRP CC[NH+]1CCN(CCC[NH2+]Cc2cc3c(cccc3C)[nH]2)CC1 ZINC000657308117 431666866 /nfs/dbraw/zinc/66/68/66/431666866.db2.gz NOBJTOOQPCOAAX-UHFFFAOYSA-N 2 0 314.477 2.594 20 0 DFADRP CC[N@@H+]1CC[C@@H](C[NH2+]Cc2ccc(O[C@H](C)COC)cc2)C1 ZINC000657314825 431669785 /nfs/dbraw/zinc/66/97/85/431669785.db2.gz AZDRKGREBIHNID-WBVHZDCISA-N 2 0 306.450 2.532 20 0 DFADRP COC[C@H](C)Oc1ccc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000657313039 431671798 /nfs/dbraw/zinc/67/17/98/431671798.db2.gz GKYKRWAUULMTGY-CGTJXYLNSA-N 2 0 318.461 2.817 20 0 DFADRP C[C@@H]1CCCC[C@H]1OCC[NH2+]Cc1ccnn1-c1cc[nH+]cc1 ZINC000657317321 431674018 /nfs/dbraw/zinc/67/40/18/431674018.db2.gz CLQAWZJLTCFABY-CRAIPNDOSA-N 2 0 314.433 2.952 20 0 DFADRP CCC[N@@H+]1CC[C@@H](C[NH2+]Cc2ccc(O[C@@H]3CCOC3)cc2)C1 ZINC000657325633 431677424 /nfs/dbraw/zinc/67/74/24/431677424.db2.gz ODZRIIRJHSCSNH-PKOBYXMFSA-N 2 0 318.461 2.676 20 0 DFADRP CC[N@@H+]1CCC[C@@H](C[NH2+]Cc2ccc(O[C@@H]3CCOC3)cc2)C1 ZINC000657337373 431682344 /nfs/dbraw/zinc/68/23/44/431682344.db2.gz SFIULJGGZPJSAC-PKOBYXMFSA-N 2 0 318.461 2.676 20 0 DFADRP C[NH2+]Cc1ccccc1C[NH2+][C@@H](C)c1ccccc1-n1ccnn1 ZINC000650756188 431683162 /nfs/dbraw/zinc/68/31/62/431683162.db2.gz WGPMGXPYLNPQNH-HNNXBMFYSA-N 2 0 321.428 2.838 20 0 DFADRP COc1ccc2[nH]cc(CC[NH2+][C@@H]3CC[C@H]4C[NH2+]C[C@H]4C3)c2c1 ZINC000647785606 431684105 /nfs/dbraw/zinc/68/41/05/431684105.db2.gz CAYKPBFQQZTARK-NUEKZKHPSA-N 2 0 313.445 2.697 20 0 DFADRP COc1ccc(C[C@@H](C)[NH2+]CCC2CC[NH2+]CC2)c(C)c1OC ZINC000650761965 431684996 /nfs/dbraw/zinc/68/49/96/431684996.db2.gz OLPDIKLYGDZHGL-CQSZACIVSA-N 2 0 320.477 2.923 20 0 DFADRP C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)C1 ZINC000647785828 431685211 /nfs/dbraw/zinc/68/52/11/431685211.db2.gz FOLVOBORKSCCOO-CWQOZTLDSA-N 3 0 307.526 2.721 20 0 DFADRP Cc1nn(-c2ccccc2)c(C)c1C[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000647786128 431685356 /nfs/dbraw/zinc/68/53/56/431685356.db2.gz IQHIPVUEHROIPP-OKZBNKHCSA-N 2 0 324.472 2.967 20 0 DFADRP C(C[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1)Cc1nc2c(s1)CCCC2 ZINC000647789684 431686307 /nfs/dbraw/zinc/68/63/07/431686307.db2.gz JHZLSQMTYGBXLY-RBSFLKMASA-N 2 0 319.518 2.932 20 0 DFADRP COc1ccc(COCCC[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC000647789396 431686416 /nfs/dbraw/zinc/68/64/16/431686416.db2.gz DBAGBZNBFNZZTL-FGTMMUONSA-N 2 0 318.461 2.580 20 0 DFADRP Fc1ccc(OCCCC[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000647788706 431687001 /nfs/dbraw/zinc/68/70/01/431687001.db2.gz PAMNKLIKUCRRBG-BFYDXBDKSA-N 2 0 306.425 2.962 20 0 DFADRP COc1ccc(COCCC[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC000647789398 431687623 /nfs/dbraw/zinc/68/76/23/431687623.db2.gz DBAGBZNBFNZZTL-OKZBNKHCSA-N 2 0 318.461 2.580 20 0 DFADRP COc1ccc(CC[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)c(Cl)c1 ZINC000647789859 431687658 /nfs/dbraw/zinc/68/76/58/431687658.db2.gz MWOKMNLQHAFSNG-QLFBSQMISA-N 2 0 308.853 2.869 20 0 DFADRP CCCOc1ccc(C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)cc1OC ZINC000647788650 431687994 /nfs/dbraw/zinc/68/79/94/431687994.db2.gz NSPBKCXHDDQNEY-IXDOHACOSA-N 2 0 318.461 2.962 20 0 DFADRP c1ccc([C@@H]2C[C@H]([NH2+][C@@H]3CC[C@@H]4C[NH2+]C[C@@H]4C3)CCO2)cc1 ZINC000647795722 431688930 /nfs/dbraw/zinc/68/89/30/431688930.db2.gz USNUIXIPLBGLBC-ZRSRNVLSSA-N 2 0 300.446 2.884 20 0 DFADRP COc1cc([C@@H](C)[NH2+]CCC2CC[NH2+]CC2)cc(OC)c1OC ZINC000650764447 431688920 /nfs/dbraw/zinc/68/89/20/431688920.db2.gz YYJOYQSRVOHKSR-CYBMUJFWSA-N 2 0 322.449 2.753 20 0 DFADRP COc1ccccc1OC[C@H](C)C[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000647793570 431689171 /nfs/dbraw/zinc/68/91/71/431689171.db2.gz APCVNULAHUQUEK-WCXIOVBPSA-N 2 0 318.461 2.688 20 0 DFADRP COCCCOc1cccc(C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)c1 ZINC000647794217 431689445 /nfs/dbraw/zinc/68/94/45/431689445.db2.gz URFWQAGLQBJBRM-RCCFBDPRSA-N 2 0 318.461 2.580 20 0 DFADRP C[C@H]([NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1)c1ccc(Br)cn1 ZINC000647796662 431692306 /nfs/dbraw/zinc/69/23/06/431692306.db2.gz INNRIWIMVWUAQU-CIQGVGRVSA-N 2 0 324.266 2.883 20 0 DFADRP C[NH+]1CCC(CC[NH2+]Cc2ccc(O[C@@H]3CCOC3)cc2)CC1 ZINC000657348544 431693900 /nfs/dbraw/zinc/69/39/00/431693900.db2.gz ZMFHYUIEJDGBMX-LJQANCHMSA-N 2 0 318.461 2.676 20 0 DFADRP CC[C@@H]1CCC[C@H]([NH2+]CCC[N@@H+]2CCC[C@@H](C(N)=O)C2)CC1 ZINC000657350360 431694254 /nfs/dbraw/zinc/69/42/54/431694254.db2.gz VOGJJWALKSQXRW-ZACQAIPSSA-N 2 0 309.498 2.522 20 0 DFADRP C[N@H+](CCCc1cccc2ccccc21)CCN1CC[NH2+]CC1 ZINC000647835541 431703845 /nfs/dbraw/zinc/70/38/45/431703845.db2.gz APUGVVDFDLHGFT-UHFFFAOYSA-N 2 0 311.473 2.609 20 0 DFADRP Cc1cccc2[nH]c(C[NH2+]C[C@H](C)CN3CCOCC3)cc21 ZINC000657369842 431706666 /nfs/dbraw/zinc/70/66/66/431706666.db2.gz HBTNNAQHBSUAQQ-AWEZNQCLSA-N 2 0 301.434 2.534 20 0 DFADRP CCO[C@H]1C[C@H]([NH2+]Cc2ccnn2-c2cc[nH+]cc2)C12CCC2 ZINC000657375064 431707607 /nfs/dbraw/zinc/70/76/07/431707607.db2.gz CJHPHFVYKRHVRQ-IRXDYDNUSA-N 2 0 312.417 2.705 20 0 DFADRP C[C@H]([NH3+])[C@@H]1CN(CCCc2ccc(C(F)(F)F)cc2)CCO1 ZINC000647864452 431711244 /nfs/dbraw/zinc/71/12/44/431711244.db2.gz WMUYYFHMHPNEBE-WFASDCNBSA-N 2 0 316.367 2.686 20 0 DFADRP C[NH2+]Cc1ccccc1C[NH2+]Cc1cccc2c1OCCCO2 ZINC000650718581 431662204 /nfs/dbraw/zinc/66/22/04/431662204.db2.gz RIHOGFNVWCMCKH-UHFFFAOYSA-N 2 0 312.413 2.857 20 0 DFADRP CN1CC[NH+](CCCC[NH2+]C2CCC(C3CCC3)CC2)CC1 ZINC000657308349 431663818 /nfs/dbraw/zinc/66/38/18/431663818.db2.gz QSZSNXGQEJNUBZ-UHFFFAOYSA-N 2 0 307.526 2.963 20 0 DFADRP CCO[C@H]1C[C@@H]([NH2+]C2CC[NH+](CC(C)(C)O)CC2)C12CCCC2 ZINC000647909443 431725857 /nfs/dbraw/zinc/72/58/57/431725857.db2.gz NVNIRHPOBPSEFK-SJORKVTESA-N 2 0 324.509 2.549 20 0 DFADRP CC(C)[NH+]1CCC(O)(C[NH2+]Cc2cc3ccncc3s2)CC1 ZINC000657397277 431727323 /nfs/dbraw/zinc/72/73/23/431727323.db2.gz ROBHKGGPGZOWNT-UHFFFAOYSA-N 2 0 319.474 2.621 20 0 DFADRP CC[C@@H]1C[N@H+](CCCc2nc(-c3ccccc3)no2)CC[C@H]1[NH3+] ZINC000647939034 431739769 /nfs/dbraw/zinc/73/97/69/431739769.db2.gz ZNBPCISDJRXONX-GDBMZVCRSA-N 2 0 314.433 2.728 20 0 DFADRP CC(C)[C@@H]1C[C@H]([NH2+]Cc2ccnn2-c2cc[nH+]cc2)CCO1 ZINC000657425816 431745421 /nfs/dbraw/zinc/74/54/21/431745421.db2.gz QLMZLACFXVLCGR-PBHICJAKSA-N 2 0 300.406 2.561 20 0 DFADRP C[C@@H]1CN(CCC[NH2+]Cc2cc3ccncc3s2)CCCO1 ZINC000657448538 431755726 /nfs/dbraw/zinc/75/57/26/431755726.db2.gz LBCIMKNYNSNNPT-CQSZACIVSA-N 2 0 319.474 2.887 20 0 DFADRP Cc1ccc(NC(=O)C[N@@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)cc1 ZINC000647975373 431761957 /nfs/dbraw/zinc/76/19/57/431761957.db2.gz YRNTUJQZEZVTPP-IRXDYDNUSA-N 2 0 315.461 2.645 20 0 DFADRP C[C@H](c1nc(C2CC2)no1)[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647975502 431762052 /nfs/dbraw/zinc/76/20/52/431762052.db2.gz BEEIFODCEWNYPY-BPLDGKMQSA-N 2 0 304.438 2.720 20 0 DFADRP C[N@H+](CCCc1cc(-c2ccc(F)cc2)n[nH]1)C[C@@H]1CC[NH2+]C1 ZINC000647881025 431716236 /nfs/dbraw/zinc/71/62/36/431716236.db2.gz VYGAGMQYIAFWNB-CQSZACIVSA-N 2 0 316.424 2.690 20 0 DFADRP CCN(CC)C(=O)C1([NH2+]CCCC2CC[NH2+]CC2)CCCCC1 ZINC000647892218 431721239 /nfs/dbraw/zinc/72/12/39/431721239.db2.gz DRSPZAIEZZFBMH-UHFFFAOYSA-N 2 0 323.525 2.927 20 0 DFADRP CCc1cc(NCC2CC[NH+](Cc3ccncc3)CC2)cc[nH+]1 ZINC000664283001 431723362 /nfs/dbraw/zinc/72/33/62/431723362.db2.gz GVXLKCMSNFZIDU-UHFFFAOYSA-N 2 0 310.445 2.785 20 0 DFADRP Fc1ccc(C[NH2+]CC2CC[NH+](C3CCOCC3)CC2)cc1F ZINC000657535747 431800208 /nfs/dbraw/zinc/80/02/08/431800208.db2.gz BHSZTEHEXQTPCH-UHFFFAOYSA-N 2 0 324.415 2.945 20 0 DFADRP C[C@@H](Cc1ccccc1)C[N@@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000648072162 431808881 /nfs/dbraw/zinc/80/88/81/431808881.db2.gz PIGZQIUXGBRYSD-KRWDZBQOSA-N 2 0 302.462 2.662 20 0 DFADRP C[C@H](Cc1ccccc1)C[N@@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000648072163 431809636 /nfs/dbraw/zinc/80/96/36/431809636.db2.gz PIGZQIUXGBRYSD-QGZVFWFLSA-N 2 0 302.462 2.662 20 0 DFADRP C[C@@H](CN(C)CCC[NH+](C)C)[NH2+]Cc1ccc([C@H]2C[C@@H]2C)o1 ZINC000657573681 431815254 /nfs/dbraw/zinc/81/52/54/431815254.db2.gz OMAYQHDSEDUCGJ-ZOBUZTSGSA-N 2 0 307.482 2.765 20 0 DFADRP Cc1nc2sccn2c1C[N@H+](C)CCCC1CC[NH2+]CC1 ZINC000647988531 431766907 /nfs/dbraw/zinc/76/69/07/431766907.db2.gz YENUYYPXLZHSON-UHFFFAOYSA-N 2 0 306.479 2.916 20 0 DFADRP Cc1nc(N2CC[NH+](CCCC3CC[NH2+]CC3)CC2)sc1C ZINC000647989112 431767346 /nfs/dbraw/zinc/76/73/46/431767346.db2.gz JVMJWDMWNGNOIW-UHFFFAOYSA-N 2 0 322.522 2.662 20 0 DFADRP C([C@H]1CC[NH2+]C1)[NH+]1CCC(c2nc3c(s2)CCCC3)CC1 ZINC000647995170 431769443 /nfs/dbraw/zinc/76/94/43/431769443.db2.gz BTINUODTOZKOTP-ZDUSSCGKSA-N 2 0 305.491 2.811 20 0 DFADRP C[N@@H+]1CCC[C@H](CC[NH2+]Cc2ccc(O[C@@H]3CCOC3)cc2)C1 ZINC000657491856 431782825 /nfs/dbraw/zinc/78/28/25/431782825.db2.gz LJZRKXSMMDZQHX-IEBWSBKVSA-N 2 0 318.461 2.676 20 0 DFADRP C[NH+](C)C1CCC([NH2+]Cc2ccc(O[C@@H]3CCOC3)cc2)CC1 ZINC000657493310 431783215 /nfs/dbraw/zinc/78/32/15/431783215.db2.gz BQXLBRWRPZTSCJ-FAFZWHIHSA-N 2 0 318.461 2.817 20 0 DFADRP c1[nH+]cn2cc(C[NH2+]Cc3ccc(O[C@@H]4CCOC4)cc3)ccc12 ZINC000657488920 431783530 /nfs/dbraw/zinc/78/35/30/431783530.db2.gz XPFRCDKNTDKYNU-LJQANCHMSA-N 2 0 323.396 2.792 20 0 DFADRP CC(C)C[N@H+](C)CCCNCc1cc(C(F)(F)F)nn1C ZINC000657499487 431786835 /nfs/dbraw/zinc/78/68/35/431786835.db2.gz ABVCLOKWKZIEGC-UHFFFAOYSA-N 2 0 306.376 2.506 20 0 DFADRP O[C@@H]1CC[N@H+](Cc2ccc(C[NH2+]Cc3ccc(F)cc3)cc2)C1 ZINC000657593496 431821403 /nfs/dbraw/zinc/82/14/03/431821403.db2.gz HZFABLDHNZCYPS-LJQANCHMSA-N 2 0 314.404 2.682 20 0 DFADRP C[N@H+]1C[C@H]2[C@@H](CCN2Cc2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC000664570516 431822308 /nfs/dbraw/zinc/82/23/08/431822308.db2.gz WQNXFAUGHNFYKY-PMACEKPBSA-N 2 0 313.489 2.808 20 0 DFADRP C[C@H](COc1c(F)cccc1F)[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000657629087 431829294 /nfs/dbraw/zinc/82/92/94/431829294.db2.gz ZTOHCZUSFCHDIV-MCIONIFRSA-N 2 0 310.388 2.949 20 0 DFADRP Cc1ccc2c(c1)[C@@H]([NH2+][C@@H]1CCN(C3CC[NH+](C)CC3)C1)CC2 ZINC000370634078 281095773 /nfs/dbraw/zinc/09/57/73/281095773.db2.gz JRNBGWOSVKQNFU-XLIONFOSSA-N 2 0 313.489 2.740 20 0 DFADRP Cc1ccc2c(c1)[C@H]([NH2+]C1CC[NH+]([C@H]3CCC[C@@H]3O)CC1)CC2 ZINC000271485082 281116753 /nfs/dbraw/zinc/11/67/53/281116753.db2.gz JORIRVZXUZRQRW-AABGKKOBSA-N 2 0 314.473 2.950 20 0 DFADRP CC[C@]1(C(=O)NCc2ccccc2C[N@H+](C)C(C)C)CCC[NH2+]1 ZINC000134564150 281302680 /nfs/dbraw/zinc/30/26/80/281302680.db2.gz DRQPIJGEBPFVDR-LJQANCHMSA-N 2 0 317.477 2.675 20 0 DFADRP Cc1cccc2c1[nH+]cc(C)c2N1CC[C@@H]2OCC[N@@H+](C)[C@H]2C1 ZINC000285090750 281308580 /nfs/dbraw/zinc/30/85/80/281308580.db2.gz QEJPNXUBRYKJGC-IRXDYDNUSA-N 2 0 311.429 2.761 20 0 DFADRP CCC(C)(C)[NH2+][C@H](C)C(=O)N[C@@H](C)[C@@H](c1ccccc1)[NH+](C)C ZINC000274805360 282024905 /nfs/dbraw/zinc/02/49/05/282024905.db2.gz UCEJVTKBWKIALE-UXLLHSPISA-N 2 0 319.493 2.961 20 0 DFADRP CCC[N@H+](CC)Cc1ccc(C(=O)N[C@@H]2CC[NH+](CC)C2)cc1 ZINC000412841981 289100197 /nfs/dbraw/zinc/10/01/97/289100197.db2.gz NRKJIQVTYPFYCQ-GOSISDBHSA-N 2 0 317.477 2.743 20 0 DFADRP CCCC[C@H](C[NH3+])NC(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C ZINC000415783464 289136909 /nfs/dbraw/zinc/13/69/09/289136909.db2.gz GDOLCHOJOHXKLW-WBVHZDCISA-N 2 0 318.465 2.875 20 0 DFADRP CCCN(CC[NH+]1CCCCCC1)C(=O)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000418577515 289153032 /nfs/dbraw/zinc/15/30/32/289153032.db2.gz IHURBCVUNNDSAN-IAGOWNOFSA-N 2 0 324.513 2.554 20 0 DFADRP C[C@H](C(=O)N1CC[C@H](C[NH+]2CCCCC2)C1)[NH+]1CCCCCC1 ZINC000174383204 289301298 /nfs/dbraw/zinc/30/12/98/289301298.db2.gz NLXXTLFCTMOGKY-QZTJIDSGSA-N 2 0 321.509 2.585 20 0 DFADRP C[C@H](N[C@@H]1CC[N@@H+]2CCC[C@H]2C1)[C@H]1CCC[NH+](C2CCC2)C1 ZINC000358476720 290019579 /nfs/dbraw/zinc/01/95/79/290019579.db2.gz YCFZICIRGCMSCO-BMFAXAFESA-N 2 0 305.510 2.856 20 0 DFADRP Cc1ccnc([C@H](C)[NH2+]CCCC[NH+]2C[C@H](C)O[C@@H](C)C2)c1 ZINC000286207847 292794075 /nfs/dbraw/zinc/79/40/75/292794075.db2.gz RXLIYWKRAWNWJN-ULQDDVLXSA-N 2 0 305.466 2.930 20 0 DFADRP [NH3+]C1(C(=O)NC[C@H](c2cccs2)[NH+]2CCCC2)CCCCC1 ZINC000237920973 295203503 /nfs/dbraw/zinc/20/35/03/295203503.db2.gz FIFYUPTZFOEVHY-CQSZACIVSA-N 2 0 321.490 2.663 20 0 DFADRP CCc1nc(C)c([C@H](C)[NH2+]CCCC[NH+]2CCN(C)CC2)s1 ZINC000154342494 295297492 /nfs/dbraw/zinc/29/74/92/295297492.db2.gz BRBBMCBVTITAKN-AWEZNQCLSA-N 2 0 324.538 2.692 20 0 DFADRP Cc1ccc([C@@H](C)[NH2+]CCCC[NH+]2CCN(C)CC2)cc1C ZINC000154375626 295298554 /nfs/dbraw/zinc/29/85/54/295298554.db2.gz KDAVJLYIUGJEGL-GOSISDBHSA-N 2 0 303.494 2.982 20 0 DFADRP CC(C)=CCC[C@H](C)[NH2+]CCCN1CCC[C@@H]1C(=O)N(C)C ZINC000155302756 295316316 /nfs/dbraw/zinc/31/63/16/295316316.db2.gz NQXSTUHVGCXLFX-DLBZAZTESA-N 2 0 309.498 2.654 20 0 DFADRP COCCOc1ccc([C@@H](C)[NH2+]C[C@@H]2CCC[N@H+](C)C2)cc1 ZINC000158144431 295358576 /nfs/dbraw/zinc/35/85/76/295358576.db2.gz PLHULKAATNACGL-CVEARBPZSA-N 2 0 306.450 2.704 20 0 DFADRP COc1ccccc1C[N@H+](C[C@@H]1CCCO1)CC1CC[NH2+]CC1 ZINC000178958647 295361219 /nfs/dbraw/zinc/36/12/19/295361219.db2.gz SPSDWUPVZRKLIT-SFHVURJKSA-N 2 0 318.461 2.676 20 0 DFADRP CC1CCC([NH+]2CCC(NC(=O)[C@H]3CCC[C@@H]([NH3+])C3)CC2)CC1 ZINC000370763789 295462541 /nfs/dbraw/zinc/46/25/41/295462541.db2.gz OWKCYMBXMAOREW-BNQMIIOLSA-N 2 0 321.509 2.663 20 0 DFADRP CC1CCC([NH+]2CCC(NC(=O)[C@@H]([NH3+])C(C)(C)C)CC2)CC1 ZINC000370763225 295462789 /nfs/dbraw/zinc/46/27/89/295462789.db2.gz HFLZXJALLKTRSO-AVVWSFFYSA-N 2 0 309.498 2.519 20 0 DFADRP C[C@@H](c1ccc(C(F)(F)F)cc1)[NH+]1CCC(O)(C[NH3+])CC1 ZINC000396961393 295486388 /nfs/dbraw/zinc/48/63/88/295486388.db2.gz BYYILYFAABRHSB-NSHDSACASA-N 2 0 302.340 2.552 20 0 DFADRP C[C@H]1C[NH+](CC2CC[NH+](CCc3cncs3)CC2)C[C@H](C)O1 ZINC000411223118 295532441 /nfs/dbraw/zinc/53/24/41/295532441.db2.gz XPBKDXRLSRDAMH-GJZGRUSLSA-N 2 0 323.506 2.507 20 0 DFADRP CC[NH+]1CCC(NC(=O)C[NH2+][C@@H]2CCCC[C@@H]2C(C)(C)C)CC1 ZINC000411365047 295535885 /nfs/dbraw/zinc/53/58/85/295535885.db2.gz MTKOKKUZBPOVJM-DLBZAZTESA-N 2 0 323.525 2.781 20 0 DFADRP CCCC[C@H]1CCC[C@@H]1[NH2+]CC(=O)NC1CC[NH+](C(C)C)CC1 ZINC000411524045 295544408 /nfs/dbraw/zinc/54/44/08/295544408.db2.gz ZKDDWFMDMQFSKP-WMZOPIPTSA-N 2 0 323.525 2.924 20 0 DFADRP CC[NH+]1CCC(NC(=O)C[NH2+][C@H]2CCC[C@H]2CCC(C)C)CC1 ZINC000411607770 295548601 /nfs/dbraw/zinc/54/86/01/295548601.db2.gz KERZYBBYOCNQPA-WMZOPIPTSA-N 2 0 323.525 2.781 20 0 DFADRP CO[C@@H]1C[NH+](Cc2cccc(C[NH+]3CCCCC3)c2)C[C@H]1OC ZINC000411628518 295549915 /nfs/dbraw/zinc/54/99/15/295549915.db2.gz VKAFJGFNOLYLSQ-RTBURBONSA-N 2 0 318.461 2.518 20 0 DFADRP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)Nc1ccccc1CC[NH+](C)C ZINC000438569154 297099327 /nfs/dbraw/zinc/09/93/27/297099327.db2.gz LUPRXWFQGJMBLC-GASCZTMLSA-N 2 0 303.450 2.602 20 0 DFADRP CC[C@H](C(=O)NC[C@H]1CCCC[N@@H+]1CC(C)C)[NH+](CC)CC ZINC000439701295 297135662 /nfs/dbraw/zinc/13/56/62/297135662.db2.gz JKOQOQRBADGZOZ-IAGOWNOFSA-N 2 0 311.514 2.734 20 0 DFADRP CCC[N@H+](C)C[C@H]1CCN(C(=O)[C@H]2CCC[NH+]2C2CCCC2)C1 ZINC000440268890 297149269 /nfs/dbraw/zinc/14/92/69/297149269.db2.gz NXIGJTJBUIZNRE-SJLPKXTDSA-N 2 0 321.509 2.584 20 0 DFADRP C[N@@H+]1CCN(CC[NH2+]Cc2ccc(F)cc2Cl)CC1(C)C ZINC000441342816 297180210 /nfs/dbraw/zinc/18/02/10/297180210.db2.gz UQGUNPJCQWPKHD-UHFFFAOYSA-N 2 0 313.848 2.595 20 0 DFADRP CCOC(=O)[C@H](CC)N1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000441538359 297185664 /nfs/dbraw/zinc/18/56/64/297185664.db2.gz ZJSQXZFSTVECMU-SJORKVTESA-N 2 0 310.482 2.772 20 0 DFADRP [NH3+]CC[C@@H]1CCC[N@H+](Cc2c(C3CC3)nc3sccn23)C1 ZINC000442921772 297211086 /nfs/dbraw/zinc/21/10/86/297211086.db2.gz JRZMMWCJHMKTSA-LBPRGKRZSA-N 2 0 304.463 2.834 20 0 DFADRP COc1ccc(-c2nc(C[N@@H+]3CCC[C@@H](CC[NH3+])C3)co2)cc1 ZINC000443054867 297213426 /nfs/dbraw/zinc/21/34/26/297213426.db2.gz AQCVVDNQCHIDRM-AWEZNQCLSA-N 2 0 315.417 2.911 20 0 DFADRP Cc1cccc(-c2noc(C[N@@H+]3CCC[C@H](CC[NH3+])C3)n2)c1 ZINC000443064118 297214335 /nfs/dbraw/zinc/21/43/35/297214335.db2.gz BSCHYGTYXYXXOV-CQSZACIVSA-N 2 0 300.406 2.606 20 0 DFADRP Cc1cc(C)c(NC(=O)[C@H](C)[N@@H+]2CCC[C@@H](CC[NH3+])C2)c(C)c1 ZINC000443062690 297214446 /nfs/dbraw/zinc/21/44/46/297214446.db2.gz UZXKYCUBZUIFBG-IRXDYDNUSA-N 2 0 317.477 3.000 20 0 DFADRP Cc1ccc([C@H](C)NC(=O)C[N@@H+]2CCC[C@H](CC[NH3+])C2)cc1C ZINC000443068426 297214764 /nfs/dbraw/zinc/21/47/64/297214764.db2.gz ICOBGTUZEJCNLE-DLBZAZTESA-N 2 0 317.477 2.541 20 0 DFADRP C[C@H](c1nc(Cc2ccccc2)no1)[N@@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000443064936 297214769 /nfs/dbraw/zinc/21/47/69/297214769.db2.gz ZCBJPWBGJPETGH-ZBFHGGJFSA-N 2 0 314.433 2.782 20 0 DFADRP CC(C)CSCCC[NH+]1CCC([N@H+](C)C[C@H](C)O)CC1 ZINC000443625698 297223344 /nfs/dbraw/zinc/22/33/44/297223344.db2.gz HKAUCGFVLVJUOJ-HNNXBMFYSA-N 2 0 302.528 2.543 20 0 DFADRP COC[C@H]([NH2+]C1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)C1CCCC1 ZINC000446939183 297290818 /nfs/dbraw/zinc/29/08/18/297290818.db2.gz ZTXSKWJXSDJWKE-OTWHNJEPSA-N 2 0 324.509 2.549 20 0 DFADRP C[C@H]([NH2+]CCOCC[NH+](C)C)c1ccc(-c2ccncc2)cc1 ZINC000447597032 297309970 /nfs/dbraw/zinc/30/99/70/297309970.db2.gz DCPKJIUNLAZBAF-INIZCTEOSA-N 2 0 313.445 2.977 20 0 DFADRP C[C@@H](CC[NH2+]C[C@@H](O)C[NH+]1CCC(C)CC1)c1ccccc1 ZINC000447822094 297318884 /nfs/dbraw/zinc/31/88/84/297318884.db2.gz PAOAXNRWQDXVQR-PKOBYXMFSA-N 2 0 304.478 2.863 20 0 DFADRP Cc1cccc(CC[NH+]2CCN(C[C@@H]3CCCC[N@H+]3C)CC2)c1 ZINC000449022916 297392550 /nfs/dbraw/zinc/39/25/50/297392550.db2.gz LRIVDNKLQKBILA-FQEVSTJZSA-N 2 0 315.505 2.639 20 0 DFADRP COc1cc(F)cc(C[NH2+]CCCC[NH+]2C[C@@H](C)O[C@H](C)C2)c1 ZINC000449103656 297405842 /nfs/dbraw/zinc/40/58/42/297405842.db2.gz RLEGTFOLWHBVNX-HUUCEWRRSA-N 2 0 324.440 2.813 20 0 DFADRP C[NH+](C)CCCN(CCC[NH+](C)C)Cc1cc2cccnc2o1 ZINC000449316929 297444316 /nfs/dbraw/zinc/44/43/16/297444316.db2.gz AIADRCLZLXYHMN-UHFFFAOYSA-N 2 0 318.465 2.533 20 0 DFADRP CC(C)[C@@H](Cn1cccn1)[NH2+]Cc1ccc(C[NH+](C)C)cc1 ZINC000453073584 298059673 /nfs/dbraw/zinc/05/96/73/298059673.db2.gz FMDKDUGCNWMIDK-GOSISDBHSA-N 2 0 300.450 2.759 20 0 DFADRP CC[C@H]([NH2+]C1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)c1ccncc1 ZINC000453157528 298067621 /nfs/dbraw/zinc/06/76/21/298067621.db2.gz GOIHOFFJEWUILP-OTWHNJEPSA-N 2 0 317.477 2.890 20 0 DFADRP COc1ccc2c(c1)C[C@@H]([NH2+]CC[C@@H](C)[NH+]1CCCCC1)CO2 ZINC000453195958 298070892 /nfs/dbraw/zinc/07/08/92/298070892.db2.gz QJRXGGHCYBIYKR-NVXWUHKLSA-N 2 0 318.461 2.853 20 0 DFADRP OCCCC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H]2CCC[C@H]21 ZINC000453212326 298071392 /nfs/dbraw/zinc/07/13/92/298071392.db2.gz HVQXQWXZMNPDKU-OTWHNJEPSA-N 2 0 302.462 2.792 20 0 DFADRP C[C@H](Cc1cnccn1)[NH2+]C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000453217530 298072672 /nfs/dbraw/zinc/07/26/72/298072672.db2.gz LWROHUVSMFCMQZ-AEFFLSMTSA-N 2 0 310.445 2.519 20 0 DFADRP COC[C@H](C[NH2+][C@@H]1CC[N@H+](C)C[C@@H]1C)c1ccc(Cl)cc1 ZINC000453313947 298082735 /nfs/dbraw/zinc/08/27/35/298082735.db2.gz DZGFTEDHBSZOOF-JLJPHGGASA-N 2 0 310.869 3.000 20 0 DFADRP C[N@H+](CCCC[NH2+]C1CCN(CCC(F)(F)F)CC1)C1CC1 ZINC000453401724 298090401 /nfs/dbraw/zinc/09/04/01/298090401.db2.gz NAJKYTPNOFRPDV-UHFFFAOYSA-N 2 0 321.431 2.867 20 0 DFADRP Cc1cnc(CC[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)cn1 ZINC000453418524 298092732 /nfs/dbraw/zinc/09/27/32/298092732.db2.gz YHJYMQGJNALVNE-JXFKEZNVSA-N 2 0 324.472 2.828 20 0 DFADRP Cc1ccc(C[C@H](CO)[NH2+][C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@H]32)cc1C ZINC000453455218 298097300 /nfs/dbraw/zinc/09/73/00/298097300.db2.gz UNANXVPYBQBFOW-IYWMVGAKSA-N 2 0 316.489 2.669 20 0 DFADRP CC[NH2+][C@H](C)C[NH2+][C@H]1CCCN(C(=O)Oc2ccccc2)CC1 ZINC000496216448 300031382 /nfs/dbraw/zinc/03/13/82/300031382.db2.gz GKWRMZCRBCOLQC-CVEARBPZSA-N 2 0 319.449 2.628 20 0 DFADRP C[NH+](C)C1CCC([NH2+]C2CC(NC(=O)OC(C)(C)C)C2)CC1 ZINC000496512816 300073895 /nfs/dbraw/zinc/07/38/95/300073895.db2.gz MPSSUHZSKJHKLA-UHFFFAOYSA-N 2 0 311.470 2.505 20 0 DFADRP C[C@H](c1cccc(N2CCOC2=O)c1)[N@H+](C)CC1CC[NH2+]CC1 ZINC000496882672 300127849 /nfs/dbraw/zinc/12/78/49/300127849.db2.gz JXUQYWDGSGYWAK-CQSZACIVSA-N 2 0 317.433 2.636 20 0 DFADRP C[C@H]1C[C@@H](C[N@H+](C)CCCN(C)C(=O)OC(C)(C)C)CC[NH2+]1 ZINC000497123573 300165174 /nfs/dbraw/zinc/16/51/74/300165174.db2.gz CLFADHXBOSVXCM-GJZGRUSLSA-N 2 0 313.486 2.563 20 0 DFADRP CC[C@H](C[NH2+][C@H]1CC[N@H+](CC)C[C@@H]1C)NC(=O)OC(C)(C)C ZINC000497157763 300170442 /nfs/dbraw/zinc/17/04/42/300170442.db2.gz DNXRTLZBULUUBK-ZNMIVQPWSA-N 2 0 313.486 2.610 20 0 DFADRP O[C@H]1CC[C@H]([NH2+][C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]23)CC1 ZINC000507461400 300235662 /nfs/dbraw/zinc/23/56/62/300235662.db2.gz LUHLBRUZSLPQSK-LTFPLMDUSA-N 2 0 314.473 2.790 20 0 DFADRP C[C@H]1C[C@@H](CC[NH2+]CC2(C)COC2)C[N@@H+]1Cc1ccccc1 ZINC000512044624 300252180 /nfs/dbraw/zinc/25/21/80/300252180.db2.gz GYVMOZYXUAAMGE-FUHWJXTLSA-N 2 0 302.462 2.913 20 0 DFADRP CC(C)C1CCC(C[NH2+]C[C@@H](C)CN2CC[NH+](C)CC2)CC1 ZINC000512137926 300252762 /nfs/dbraw/zinc/25/27/62/300252762.db2.gz XBPXUIGBWDHZAX-LMDPOFIKSA-N 2 0 309.542 2.922 20 0 DFADRP CC(C)[C@@H](CO)C[NH2+]CC(C)(C)C[N@H+](C)Cc1ccccc1 ZINC000514628264 300263257 /nfs/dbraw/zinc/26/32/57/300263257.db2.gz MBNCBDHLOYICGO-GOSISDBHSA-N 2 0 306.494 2.999 20 0 DFADRP COc1cc(F)c(C[NH2+]CCC2CC[NH+](C)CC2)cc1OC ZINC000514865223 300276614 /nfs/dbraw/zinc/27/66/14/300276614.db2.gz FHWRYVBRVRLVMR-UHFFFAOYSA-N 2 0 310.413 2.664 20 0 DFADRP CCCC[N@H+](CC)Cc1cccc(CNC(=O)[C@H]2C[C@@H]([NH3+])C2)c1 ZINC000514938140 300280780 /nfs/dbraw/zinc/28/07/80/300280780.db2.gz BUAKNGMWLNMHAI-HDICACEKSA-N 2 0 317.477 2.662 20 0 DFADRP CCc1cccc(F)c1C[N@H+](C)CCCN(C)CC[NH+](C)C ZINC000515018821 300284806 /nfs/dbraw/zinc/28/48/06/300284806.db2.gz KEXSOWVHDUTUOW-UHFFFAOYSA-N 2 0 309.473 2.703 20 0 DFADRP C[C@@H]1CC[N@H+](CCNC(=O)CC[C@H]([NH3+])CC2CCCCC2)C1 ZINC000515062655 300288285 /nfs/dbraw/zinc/28/82/85/300288285.db2.gz KGEPKMCCISGBSM-WBVHZDCISA-N 2 0 309.498 2.522 20 0 DFADRP C[C@H]([NH2+]C[C@H]1CCC[NH2+]C1)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000515483338 300309473 /nfs/dbraw/zinc/30/94/73/300309473.db2.gz OHIUYURNFYAKOF-STQMWFEESA-N 2 0 301.434 2.567 20 0 DFADRP C[NH+](C)CCN(CC[NH+](C)C)Cc1csc(Cl)c1Cl ZINC000515555816 300313243 /nfs/dbraw/zinc/31/32/43/300313243.db2.gz BJPABYRPFRRROQ-UHFFFAOYSA-N 2 0 324.321 2.980 20 0 DFADRP COc1cc(C[N@H+](C)CC[C@@H]2CC[NH2+]C2)ccc1OC(F)F ZINC000516751736 300358442 /nfs/dbraw/zinc/35/84/42/300358442.db2.gz XSPUOXZWIUCODG-LBPRGKRZSA-N 2 0 314.376 2.728 20 0 DFADRP CN(CCC[N@H+](C)Cc1cc(F)cc(Cl)c1)CC[NH+](C)C ZINC000516817003 300361919 /nfs/dbraw/zinc/36/19/19/300361919.db2.gz YAXGQIZRWOFWAR-UHFFFAOYSA-N 2 0 315.864 2.794 20 0 DFADRP CC[NH2+]CCCNc1cc(N[C@@H]2CCCO[C@@H]2C(C)C)ncn1 ZINC000517020332 300377563 /nfs/dbraw/zinc/37/75/63/300377563.db2.gz ZDOHVYHSVAGTLO-RHSMWYFYSA-N 2 0 321.469 2.504 20 0 DFADRP CCOC(=O)[C@@H]1CC[C@@H]([NH2+]Cc2ccc(C[NH3+])cc2)C[C@@H]1C ZINC000517030032 300379061 /nfs/dbraw/zinc/37/90/61/300379061.db2.gz HKERJQCRSMLALK-IAOVAPTHSA-N 2 0 304.434 2.603 20 0 DFADRP CC[NH+]1CCN([C@@H]2CC[N@H+](C[C@H](C)C3CCCCC3)C2)CC1 ZINC000517223809 300387808 /nfs/dbraw/zinc/38/78/08/300387808.db2.gz QXDICNBKBUECGO-PKOBYXMFSA-N 2 0 307.526 2.915 20 0 DFADRP C[C@H](N[C@H](C[NH+](C)C)c1ccc(Cl)cc1)[C@H]1CCC[NH2+]C1 ZINC000520564866 300501851 /nfs/dbraw/zinc/50/18/51/300501851.db2.gz GNHPWJQWFGCDGJ-JLJPHGGASA-N 2 0 309.885 2.920 20 0 DFADRP C[C@H](N[C@@H]1CC[NH2+]C12CCC2)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000530215204 301029788 /nfs/dbraw/zinc/02/97/88/301029788.db2.gz FCMQZSZNMZSVSD-YTQUADARSA-N 2 0 313.489 2.771 20 0 DFADRP Cc1ncccc1C[NH2+][C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000530219914 301031157 /nfs/dbraw/zinc/03/11/57/301031157.db2.gz KYJSBWLYWVYAGS-IEBWSBKVSA-N 2 0 309.413 2.736 20 0 DFADRP C[C@@H](C[C@H]1CCCCC[NH2+]1)Nc1ccc2c(c1)OCC[NH2+]C2 ZINC000530247484 301033644 /nfs/dbraw/zinc/03/36/44/301033644.db2.gz UVVZXITZJFBTAQ-GOEBONIOSA-N 2 0 303.450 2.891 20 0 DFADRP CCN(CC)C(=O)C[C@H](C)[NH2+]CCCC[NH+]1CCC(C)CC1 ZINC000531682799 301103771 /nfs/dbraw/zinc/10/37/71/301103771.db2.gz PDSIYYTWHOKDHK-KRWDZBQOSA-N 2 0 311.514 2.735 20 0 DFADRP C[C@H](C[NH2+][C@@H](CC1CC1)c1ccccc1)N1CC[NH+](C)CC1 ZINC000531959445 301120941 /nfs/dbraw/zinc/12/09/41/301120941.db2.gz WVHPVEKYDXADCV-APWZRJJASA-N 2 0 301.478 2.753 20 0 DFADRP COc1cccc(CC[NH2+][C@@H]2C[C@@H](C)[N@H+](C)C[C@@H]2C)c1OC ZINC000531955357 301121228 /nfs/dbraw/zinc/12/12/28/301121228.db2.gz OWIWSCRLZBNJNZ-SQWLQELKSA-N 2 0 306.450 2.565 20 0 DFADRP CC[C@H]1CCC[C@@H]1[NH2+]Cc1cccnc1N1CC[NH+](C)CC1 ZINC000532210387 301136983 /nfs/dbraw/zinc/13/69/83/301136983.db2.gz DCWWEEQDDWUKCO-RDJZCZTQSA-N 2 0 302.466 2.502 20 0 DFADRP C[N@H+](C[C@@H]1CCCOC1)[C@@H]1CCC[NH+](C[C@@H]2CCCOC2)CC1 ZINC000533606411 301210090 /nfs/dbraw/zinc/21/00/90/301210090.db2.gz GTBOEDOMYNCUTA-GBESFXJTSA-N 2 0 324.509 2.626 20 0 DFADRP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@H]1CCCc2ccc(Cl)cc21 ZINC000534234247 301221314 /nfs/dbraw/zinc/22/13/14/301221314.db2.gz CWTKIFFHDNFMPO-KDOFPFPSSA-N 2 0 321.896 2.943 20 0 DFADRP C[NH+]1CCC(O)(C[NH2+][C@@H]2CCCc3ccc(Cl)cc32)CC1 ZINC000534977642 301240825 /nfs/dbraw/zinc/24/08/25/301240825.db2.gz XDDXBILNTRJZNF-MRXNPFEDSA-N 2 0 308.853 2.764 20 0 DFADRP CCc1ccc(C[N@@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@@H](C)C2)s1 ZINC000536664474 301286726 /nfs/dbraw/zinc/28/67/26/301286726.db2.gz DLTACTDNTQXYPX-YJBOKZPZSA-N 2 0 321.534 2.768 20 0 DFADRP C[C@@H]([NH2+]CCCC[NH+]1CCN(C)CC1)c1cccc(F)c1F ZINC000538454535 301321697 /nfs/dbraw/zinc/32/16/97/301321697.db2.gz XIFAMFAMWROEIM-CQSZACIVSA-N 2 0 311.420 2.643 20 0 DFADRP CCc1ccc(C[N@@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@H]32)s1 ZINC000539898597 301353218 /nfs/dbraw/zinc/35/32/18/301353218.db2.gz YBZSPUWJVJZRIC-IAOVAPTHSA-N 2 0 308.491 2.994 20 0 DFADRP CC[N@@H+]1CC[C@H](Nc2cccc(OCC[NH+](C)C)c2)[C@H](C)C1 ZINC000540839561 301370390 /nfs/dbraw/zinc/37/03/90/301370390.db2.gz WEIWJICMRSHRMX-QAPCUYQASA-N 2 0 305.466 2.769 20 0 DFADRP C[N@@H+]1CC[C@@H]2CCN(Cc3cnc(-c4ccccc4)nc3)[C@H]2C1 ZINC000540918966 301374805 /nfs/dbraw/zinc/37/48/05/301374805.db2.gz XPDNQAZPORXVRB-AEFFLSMTSA-N 2 0 308.429 2.670 20 0 DFADRP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+][C@]1(C)CCO[C@H]1C1CC1 ZINC000541384537 301385722 /nfs/dbraw/zinc/38/57/22/301385722.db2.gz VEPBQARATMWDDX-ZWKOTPCHSA-N 2 0 312.417 2.623 20 0 DFADRP C[C@@H]([NH2+]CC1(C)CC[NH+](C)CC1)c1ccc2c(c1)CCC(=O)N2 ZINC000541881529 301401736 /nfs/dbraw/zinc/40/17/36/301401736.db2.gz BTTVYZRIDOFKIJ-CQSZACIVSA-N 2 0 315.461 2.954 20 0 DFADRP CCC(C)(C)[NH2+][C@@H](C)C(=O)NCC1([NH+](C)C)CCCCCC1 ZINC000543444330 301430589 /nfs/dbraw/zinc/43/05/89/301430589.db2.gz WEPNVBVAUNLSRJ-HNNXBMFYSA-N 2 0 311.514 2.924 20 0 DFADRP Cc1cc2c(cc1C)[C@@H]([NH2+]CC1(O)CC[NH+](C)CC1)CCCO2 ZINC000361881828 301443372 /nfs/dbraw/zinc/44/33/72/301443372.db2.gz WYYKWTSJSHSLJQ-KRWDZBQOSA-N 2 0 318.461 2.563 20 0 DFADRP CCCOc1ccc(C[NH2+][C@@H](C)CCN2CC[NH+](C)CC2)cc1 ZINC000547433475 301532612 /nfs/dbraw/zinc/53/26/12/301532612.db2.gz CWLPTBYHCJNPLU-KRWDZBQOSA-N 2 0 319.493 2.591 20 0 DFADRP C[NH+](C)CCCCC(=O)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000552548243 301694860 /nfs/dbraw/zinc/69/48/60/301694860.db2.gz NGQQYGOKOFVFNN-UHFFFAOYSA-N 2 0 317.477 2.631 20 0 DFADRP CC1(C[NH2+]CCCN2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000558963242 301863531 /nfs/dbraw/zinc/86/35/31/301863531.db2.gz SLZCEGRHLYREBC-UHFFFAOYSA-N 2 0 301.478 2.584 20 0 DFADRP CC[C@H]([NH2+][C@H](CN1CC[NH+](C)CC1)c1ccccc1)[C@H]1C[C@H]1C ZINC000560880534 301917433 /nfs/dbraw/zinc/91/74/33/301917433.db2.gz YOUHKEUWBPXBCC-BTHPGYMESA-N 2 0 315.505 2.999 20 0 DFADRP CCc1ccccc1NC(=O)C[C@@H](C)[NH2+]CC1CC[NH2+]CC1 ZINC000562956155 302017507 /nfs/dbraw/zinc/01/75/07/302017507.db2.gz GPLSTVNBWQCMGL-CQSZACIVSA-N 2 0 303.450 2.555 20 0 DFADRP C[C@H]1CC[NH2+]CC[C@@H]1[NH2+]Cc1ccc(OCC(F)(F)F)nc1 ZINC000562958429 302017871 /nfs/dbraw/zinc/01/78/71/302017871.db2.gz HXSHBURRVULXON-AAEUAGOBSA-N 2 0 317.355 2.500 20 0 DFADRP C[C@H]([NH2+]CCc1nc(C(F)(F)F)cs1)[C@H]1CCC[NH2+]C1 ZINC000562958959 302018251 /nfs/dbraw/zinc/01/82/51/302018251.db2.gz GDISFHLASRJWQC-UWVGGRQHSA-N 2 0 307.385 2.682 20 0 DFADRP C[C@H](CC(=O)Nc1ccc(F)cc1)[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000562962365 302018671 /nfs/dbraw/zinc/01/86/71/302018671.db2.gz KQJAQUYLQGMWPV-VMUDFCTBSA-N 2 0 319.424 2.521 20 0 DFADRP CC1CCC(O)(C[NH2+]Cc2cccc(OCC[NH+](C)C)c2)CC1 ZINC000562984945 302021576 /nfs/dbraw/zinc/02/15/76/302021576.db2.gz NDULAXWNIMPXGR-UHFFFAOYSA-N 2 0 320.477 2.658 20 0 DFADRP CCn1c2ccccc2nc1C[NH+]1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000563136088 302040464 /nfs/dbraw/zinc/04/04/64/302040464.db2.gz RGXJNDOUJYJSEZ-INIZCTEOSA-N 2 0 312.461 2.878 20 0 DFADRP CCC[C@@H]1CCCC[C@@H]1[NH2+]CC(=O)NC1CC[NH+](C(C)C)CC1 ZINC000563223768 302052194 /nfs/dbraw/zinc/05/21/94/302052194.db2.gz GJFVJBSKGQBMOX-AEFFLSMTSA-N 2 0 323.525 2.924 20 0 DFADRP C[C@H]1C[C@@H]([NH3+])CC[N@@H+]1Cc1cccc(OCc2ccccn2)c1 ZINC000563351410 302064703 /nfs/dbraw/zinc/06/47/03/302064703.db2.gz YZQYRBPCIIFDJV-RDJZCZTQSA-N 2 0 311.429 2.972 20 0 DFADRP [NH3+][C@@H]1CCC[C@H]([NH2+]CCCOc2ccc(C(F)(F)F)cn2)C1 ZINC000563422711 302070994 /nfs/dbraw/zinc/07/09/94/302070994.db2.gz ASOLRJLXDCYMST-OLZOCXBDSA-N 2 0 317.355 2.729 20 0 DFADRP Cc1ncc(C[NH2+][C@H]2CCN(C)[C@@H]2c2ccc(Cl)cc2)n1C ZINC000563438698 302073080 /nfs/dbraw/zinc/07/30/80/302073080.db2.gz HQOCACJHIACATD-DLBZAZTESA-N 2 0 318.852 2.917 20 0 DFADRP Cc1ncc(C[NH2+][C@H]2CCN(C)[C@H]2c2ccc(Cl)cc2)n1C ZINC000563438700 302073193 /nfs/dbraw/zinc/07/31/93/302073193.db2.gz HQOCACJHIACATD-IRXDYDNUSA-N 2 0 318.852 2.917 20 0 DFADRP Cn1nccc1[C@H]1[C@H](C[NH2+][C@@H]2CCC[C@H]2CCF)CCCN1C ZINC000563465650 302075701 /nfs/dbraw/zinc/07/57/01/302075701.db2.gz XJQUHHGDJAHVKO-LISAXSMJSA-N 2 0 322.472 2.921 20 0 DFADRP CCN(C[C@@H]1CCC[N@@H+]1CC)C(=O)[C@H](C)[NH+]1[C@H](C)CC[C@@H]1C ZINC000563492005 302076824 /nfs/dbraw/zinc/07/68/24/302076824.db2.gz CJOWTQBCWDYXPB-YVSFHVDLSA-N 2 0 309.498 2.581 20 0 DFADRP c1ccc(-c2nnc([C@H]3CCC[N@H+]3CC[C@H]3CC[NH2+]C3)[nH]2)cc1 ZINC000563670163 302091756 /nfs/dbraw/zinc/09/17/56/302091756.db2.gz LXRUMGCBGOGBCI-GDBMZVCRSA-N 2 0 311.433 2.608 20 0 DFADRP [NH3+][C@H]1CCC[C@@H]([NH2+]C[C@@H]2C[C@H](F)CN2Cc2cccs2)C1 ZINC000564099392 302119346 /nfs/dbraw/zinc/11/93/46/302119346.db2.gz JXDGKRPFXBTBNP-XQLPTFJDSA-N 2 0 311.470 2.520 20 0 DFADRP CC1CC[NH+](CCCNC(=O)CC[N@H+](C)C2CCCCC2)CC1 ZINC000564268044 302125589 /nfs/dbraw/zinc/12/55/89/302125589.db2.gz BJKVPKRCDMZUCI-UHFFFAOYSA-N 2 0 323.525 2.879 20 0 DFADRP OCCCN1CCC[C@H]1C[NH2+][C@@H](CC1CC1)c1ccccc1 ZINC000564292489 302126349 /nfs/dbraw/zinc/12/63/49/302126349.db2.gz FKHRPQAYZQUWFM-OALUTQOASA-N 2 0 302.462 2.964 20 0 DFADRP C[C@H]([NH2+]C1CCN([C@@H](C)c2ccncc2)CC1)[C@@H]1CCC[NH2+]C1 ZINC000564714028 302152712 /nfs/dbraw/zinc/15/27/12/302152712.db2.gz RRXRVYBJXYNWJB-XYJFISCASA-N 2 0 316.493 2.585 20 0 DFADRP CC(=O)Nc1ccc(CC[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)cc1 ZINC000564823844 302161113 /nfs/dbraw/zinc/16/11/13/302161113.db2.gz NDGHXDFDQATXJC-IPMKNSEASA-N 2 0 315.461 2.698 20 0 DFADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]C[C@@]1(C)CCO[C@@H]1C1CC1 ZINC000564826619 302161551 /nfs/dbraw/zinc/16/15/51/302161551.db2.gz YZWCOCCVLNMAQC-JBBXEZCESA-N 2 0 303.450 2.705 20 0 DFADRP [NH3+][C@@H]1CCC[C@@H](C[NH2+][C@@H](Cc2ccccn2)c2cccnc2)C1 ZINC000564828036 302161744 /nfs/dbraw/zinc/16/17/44/302161744.db2.gz ORIFAZPYVYKBOX-SUMDDJOVSA-N 2 0 310.445 2.868 20 0 DFADRP [NH3+][C@@H]1CCC[C@H](C[NH2+][C@@H](Cc2ccccn2)c2cccnc2)C1 ZINC000564828038 302161799 /nfs/dbraw/zinc/16/17/99/302161799.db2.gz ORIFAZPYVYKBOX-WDYCEAGBSA-N 2 0 310.445 2.868 20 0 DFADRP CCCC[NH+]1CCC([NH2+]C[C@@H](O)COc2ccccc2C)CC1 ZINC000564857496 302165431 /nfs/dbraw/zinc/16/54/31/302165431.db2.gz URDWVBYKBWWFKA-GOSISDBHSA-N 2 0 320.477 2.589 20 0 DFADRP CCCC[NH+]1CCC([NH2+]C[C@H](O)COc2ccccc2C)CC1 ZINC000564857497 302165596 /nfs/dbraw/zinc/16/55/96/302165596.db2.gz URDWVBYKBWWFKA-SFHVURJKSA-N 2 0 320.477 2.589 20 0 DFADRP C[NH+](C)[C@H](CNC(=O)[C@@]1(C)CCCC[NH2+]1)c1ccc(Cl)cc1 ZINC000564925917 302174691 /nfs/dbraw/zinc/17/46/91/302174691.db2.gz CYPTTWIFTQGWOK-NVXWUHKLSA-N 2 0 323.868 2.591 20 0 DFADRP CC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H]([NH3+])c1ccc(C(C)C)cc1 ZINC000564941154 302175887 /nfs/dbraw/zinc/17/58/87/302175887.db2.gz ALTGAYDKZANBQW-ZWKOTPCHSA-N 2 0 317.477 2.800 20 0 DFADRP CC[NH+](CC)CCCC1CCN(C(=O)C[N@@H+]2CC[C@H](C)C2)CC1 ZINC000565192962 302205339 /nfs/dbraw/zinc/20/53/39/302205339.db2.gz SBOHYJHGWRWURO-KRWDZBQOSA-N 2 0 323.525 2.689 20 0 DFADRP CC[C@H](C[NH2+][C@H]1CCC[C@@H]([NH3+])C1)N1CCc2ccccc2C1 ZINC000565491831 302227774 /nfs/dbraw/zinc/22/77/74/302227774.db2.gz RVHUEYMUXSVCFU-CEXWTWQISA-N 2 0 301.478 2.683 20 0 DFADRP CC[C@H](C[NH2+][C@@H]1CCC[C@@H]([NH3+])C1)N1CCc2ccccc2C1 ZINC000565491837 302227797 /nfs/dbraw/zinc/22/77/97/302227797.db2.gz RVHUEYMUXSVCFU-GUDVDZBRSA-N 2 0 301.478 2.683 20 0 DFADRP CC(C)(C)c1cccc(OCC[N@@H+]2CC[C@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000565540393 302229348 /nfs/dbraw/zinc/22/93/48/302229348.db2.gz TVWADZVJOAWDBT-JKSUJKDBSA-N 2 0 302.462 2.904 20 0 DFADRP C[C@@H]1CCCC[N@@H+]1CCCNC(=O)c1ccccc1C[NH+](C)C ZINC000565809698 302243476 /nfs/dbraw/zinc/24/34/76/302243476.db2.gz DXEHRDRWDFRSQQ-MRXNPFEDSA-N 2 0 317.477 2.743 20 0 DFADRP c1cc2c(cc1C[NH2+][C@H]1CCCC13CCOCC3)C[NH2+]CC2 ZINC000565838856 302244252 /nfs/dbraw/zinc/24/42/52/302244252.db2.gz UFRQBSBWPFBAPD-SFHVURJKSA-N 2 0 300.446 2.771 20 0 DFADRP CSC1(C[NH2+]C2CCC3(CCCO3)CC2)CC[NH+](C)CC1 ZINC000565921584 302248753 /nfs/dbraw/zinc/24/87/53/302248753.db2.gz GBFQUGMOELZDJR-UHFFFAOYSA-N 2 0 312.523 2.895 20 0 DFADRP C[N@@H+]1CCCC[C@@H]1CCC(=O)Nc1cccc2c1CC[NH2+]C2 ZINC000565949557 302250097 /nfs/dbraw/zinc/25/00/97/302250097.db2.gz ZBWJKQGKSIZONY-OAHLLOKOSA-N 2 0 301.434 2.535 20 0 DFADRP [NH3+][C@@H]1C[C@H](NC2CC[NH+](Cc3ccncc3)CC2)c2ccccc21 ZINC000566089238 302258591 /nfs/dbraw/zinc/25/85/91/302258591.db2.gz JDKWKPQNLBPMQL-UXHICEINSA-N 2 0 322.456 2.780 20 0 DFADRP C[C@H](C[NH2+]C[C@H](O)CCc1ccccc1)C[NH+]1CCCCC1 ZINC000566106370 302260272 /nfs/dbraw/zinc/26/02/72/302260272.db2.gz NSZAWUCLZNBWQE-IEBWSBKVSA-N 2 0 304.478 2.692 20 0 DFADRP CC(C)CCC[C@H](C)NC(=O)C[NH+]1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000566243390 302269284 /nfs/dbraw/zinc/26/92/84/302269284.db2.gz UNXWGMIAJQBJHB-FUHWJXTLSA-N 2 0 323.525 2.639 20 0 DFADRP Cc1nc2c(n1[C@@H]1CC[N@H+](C[C@@H]3CCCC[C@H]3O)C1)CCCC2 ZINC000566300325 302276665 /nfs/dbraw/zinc/27/66/65/302276665.db2.gz KEDRGWPWJWIASQ-FRQCXROJSA-N 2 0 317.477 2.868 20 0 DFADRP COCC[NH2+]C1CCN(Cc2ccccc2C(F)(F)F)CC1 ZINC000566317701 302278929 /nfs/dbraw/zinc/27/89/29/302278929.db2.gz ZUDDASCAYHRTKA-UHFFFAOYSA-N 2 0 316.367 2.906 20 0 DFADRP COCC[NH2+]C1CCN(Cc2ccccc2OC(C)C)CC1 ZINC000566317380 302278981 /nfs/dbraw/zinc/27/89/81/302278981.db2.gz MSCUZVNKVJMXBE-UHFFFAOYSA-N 2 0 306.450 2.674 20 0 DFADRP C[C@H]1CCC[N@H+](CCCC[NH2+]C[C@@H](O)Cc2ccccc2)C1 ZINC000566614936 302299189 /nfs/dbraw/zinc/29/91/89/302299189.db2.gz AYZTWFHIKAARQT-HKUYNNGSSA-N 2 0 304.478 2.692 20 0 DFADRP CSC[C@H](O)C[NH2+]CC[C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000566733107 302307845 /nfs/dbraw/zinc/30/78/45/302307845.db2.gz MMSCTPQHBJCQJQ-CGTJXYLNSA-N 2 0 322.518 2.601 20 0 DFADRP CC[C@@H](C)C[C@H](NC1CCN(c2ccccn2)CC1)C(=O)OC ZINC000566858850 302317490 /nfs/dbraw/zinc/31/74/90/302317490.db2.gz BGXFTRWWPCGPGD-ZBFHGGJFSA-N 2 0 319.449 2.618 20 0 DFADRP CO[C@@H]1CC[NH+](CCCC[N@H+]2CC[C@H](OC)C[C@H]2C)[C@H](C)C1 ZINC000567064079 302333128 /nfs/dbraw/zinc/33/31/28/302333128.db2.gz TWUBXXWEDDIMMR-TVFCKZIOSA-N 2 0 312.498 2.765 20 0 DFADRP Cc1ccc(OC[C@H](O)C[NH2+][C@@H](C)C(C)(C)C[NH+](C)C)c(C)c1 ZINC000567104579 302335946 /nfs/dbraw/zinc/33/59/46/302335946.db2.gz VKOHIFXVRQUTFN-DLBZAZTESA-N 2 0 322.493 2.609 20 0 DFADRP CC[NH2+]Cc1cccc(NC(=O)NCCCCn2ccnc2)c1 ZINC000567144993 302339652 /nfs/dbraw/zinc/33/96/52/302339652.db2.gz XOSZBIWEPMOGOJ-UHFFFAOYSA-N 2 0 315.421 2.595 20 0 DFADRP OCC1([NH2+]CC2CC2)CC[NH+]([C@@H]2CCCc3ccccc32)CC1 ZINC000567170801 302341588 /nfs/dbraw/zinc/34/15/88/302341588.db2.gz LWKRIWZWPOSLHM-LJQANCHMSA-N 2 0 314.473 2.891 20 0 DFADRP C[C@@H](C[C@H]1CCCCC[NH2+]1)[NH2+]CCn1c2ccccc2[nH]c1=O ZINC000567333286 302350522 /nfs/dbraw/zinc/35/05/22/302350522.db2.gz AYCYQQZAIHWMJO-LSDHHAIUSA-N 2 0 316.449 2.642 20 0 DFADRP C[C@@H](CCc1cccc(F)c1)N(CC[NH+](C)C)CC[NH+](C)C ZINC000567399565 302356475 /nfs/dbraw/zinc/35/64/75/302356475.db2.gz JIDNCLAKMNXEKC-INIZCTEOSA-N 2 0 309.473 2.572 20 0 DFADRP COc1cc(C[NH2+][C@@H]2CC[NH2+]CC[C@H]2C)ccc1OC(F)F ZINC000567490029 302363244 /nfs/dbraw/zinc/36/32/44/302363244.db2.gz DRKXQMBCFYMMGP-DGCLKSJQSA-N 2 0 314.376 2.774 20 0 DFADRP C[N@@H+]1CC[C@@]2(CCN(Cc3cnc(-c4ccccc4)nc3)C2)C1 ZINC000567561248 302368069 /nfs/dbraw/zinc/36/80/69/302368069.db2.gz ZIRSUDLRGDJZBN-LJQANCHMSA-N 2 0 308.429 2.671 20 0 DFADRP Cc1ncc2c(n1)CC[C@H]([NH2+][C@@H](C)C[C@@H]1CCCCC[NH2+]1)C2 ZINC000567641216 302375768 /nfs/dbraw/zinc/37/57/68/302375768.db2.gz OQILYIHYFRBRIX-JQFCIGGWSA-N 2 0 302.466 2.543 20 0 DFADRP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]Cc1cccc(NC(=O)c2ccncc2)c1 ZINC000567642380 302375991 /nfs/dbraw/zinc/37/59/91/302375991.db2.gz RELFOFGVAIHTKU-WMZOPIPTSA-N 2 0 324.428 2.551 20 0 DFADRP COC[C@H](CCC[NH3+])[NH2+]CCOc1cccc(Cl)c1Cl ZINC000567648410 302376537 /nfs/dbraw/zinc/37/65/37/302376537.db2.gz MLUIMFUAADIPHO-NSHDSACASA-N 2 0 321.248 2.716 20 0 DFADRP C[C@@H]([NH2+]Cc1ccnc(OC2CCCC2)c1)[C@@H]1CCC[NH2+]C1 ZINC000567648401 302376580 /nfs/dbraw/zinc/37/65/80/302376580.db2.gz LNPCDCPZEMDCOJ-GDBMZVCRSA-N 2 0 303.450 2.881 20 0 DFADRP CN1CC[NH+](CCCC[NH2+]C2CC(C)(c3ccccc3)C2)CC1 ZINC000569433266 302517595 /nfs/dbraw/zinc/51/75/95/302517595.db2.gz QQWDTMKAGUFPBT-UHFFFAOYSA-N 2 0 315.505 2.724 20 0 DFADRP C[NH+](C)Cc1ccc(C(=O)Nc2ccc3c(c2)C[NH2+]CC3)cc1 ZINC000570395396 302571656 /nfs/dbraw/zinc/57/16/56/302571656.db2.gz MQKBWKXRGPJLIT-UHFFFAOYSA-N 2 0 309.413 2.646 20 0 DFADRP CCc1ccc(C[NH+]2CCC(C[NH+]3CCN(C)CC3)CC2)s1 ZINC000570761668 302590799 /nfs/dbraw/zinc/59/07/99/302590799.db2.gz DAJMLYYBZGFIFY-UHFFFAOYSA-N 2 0 321.534 2.770 20 0 DFADRP CCc1ccccc1NC(=O)C[C@H](C)[NH2+]CCC[NH2+]C(C)C ZINC000571632505 302626047 /nfs/dbraw/zinc/62/60/47/302626047.db2.gz MLLJTYXRZDXQQS-HNNXBMFYSA-N 2 0 305.466 2.944 20 0 DFADRP CCOc1cc2c(cc1C[NH2+][C@@H]1CCC[C@H]([NH3+])C1)O[C@H](C)C2 ZINC000573071975 302689529 /nfs/dbraw/zinc/68/95/29/302689529.db2.gz YJOSRMPVSDOLEA-UHOFOFEASA-N 2 0 304.434 2.768 20 0 DFADRP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]CC1(CO)CC(c2ccccc2)C1 ZINC000574268969 302749601 /nfs/dbraw/zinc/74/96/01/302749601.db2.gz OZWVHLIOUISVGZ-BKVYNOPKSA-N 2 0 302.462 2.650 20 0 DFADRP C[C@H](Cc1ccccc1)C[NH+]1CCC(C[NH+]2CCOCC2)CC1 ZINC000182031654 316083265 /nfs/dbraw/zinc/08/32/65/316083265.db2.gz DHJXZUWHLJSPCR-GOSISDBHSA-N 2 0 316.489 2.909 20 0 DFADRP C[C@H](CCNC(=O)c1cccc(C[NH+](C)C)c1)[NH+]1CCCCC1 ZINC000182249835 316092752 /nfs/dbraw/zinc/09/27/52/316092752.db2.gz OBIMILXBJBVJQE-MRXNPFEDSA-N 2 0 317.477 2.743 20 0 DFADRP C[C@@H](C[NH2+][C@H]1CCCc2cc(F)ccc21)CN1CCOCC1 ZINC000182999922 316125931 /nfs/dbraw/zinc/12/59/31/316125931.db2.gz ZJXAKMCYOSRYRO-KSSFIOAISA-N 2 0 306.425 2.761 20 0 DFADRP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@@H](C)C12CC3CC(CC(C3)C1)C2 ZINC000185393228 316185496 /nfs/dbraw/zinc/18/54/96/316185496.db2.gz AHIGLOBHALZLQA-LSURXJPSSA-N 2 0 319.537 2.817 20 0 DFADRP COc1ccc(C[C@@H](C)C[N@@H+]2CC[C@H](C[NH+](C)C)C2)cc1F ZINC000185321980 316186026 /nfs/dbraw/zinc/18/60/26/316186026.db2.gz XAMPAJWHTRDVGC-GDBMZVCRSA-N 2 0 308.441 2.896 20 0 DFADRP C[C@@H]([NH2+]C[C@H](C)N1CC[NH+](C)CC1)C12CC3CC(CC(C3)C1)C2 ZINC000185366124 316186299 /nfs/dbraw/zinc/18/62/99/316186299.db2.gz SIBLDXFHQNBJDF-HZCWPMTASA-N 2 0 319.537 2.817 20 0 DFADRP C[C@@H](NCC[NH+]1CCC(C)CC1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185686687 316189892 /nfs/dbraw/zinc/18/98/92/316189892.db2.gz WUECUVXKHWAMCQ-MSOLQXFVSA-N 2 0 307.526 2.961 20 0 DFADRP CC(=O)Nc1ccc(CN2CCCC[C@H]2[C@@H]2CCC[NH2+]2)cc1 ZINC000316328690 316245437 /nfs/dbraw/zinc/24/54/37/316245437.db2.gz BSHXBJDCWMSBAJ-ROUUACIJSA-N 2 0 301.434 2.752 20 0 DFADRP CC[NH+](CC)Cc1ccc(CNC(=O)C[C@H]2CCC[NH2+]C2)cc1 ZINC000320434580 316254201 /nfs/dbraw/zinc/25/42/01/316254201.db2.gz HNVHWHSIKARGKM-GOSISDBHSA-N 2 0 317.477 2.534 20 0 DFADRP COc1ccccc1[C@H](C[NH2+][C@@H]1C[C@@H](C)[N@H+](C)C[C@@H]1C)N(C)C ZINC000341884905 316310844 /nfs/dbraw/zinc/31/08/44/316310844.db2.gz ILFJPMSITMIPFP-IDCNUPLLSA-N 2 0 319.493 2.616 20 0 DFADRP Cc1cc([C@@H](C)[NH2+]CCC[N@@H+]2CCC[C@@H](C(N)=O)C2)c(C)s1 ZINC000346095986 316318118 /nfs/dbraw/zinc/31/81/18/316318118.db2.gz JSNPLJOLLQEARK-UKRRQHHQSA-N 2 0 323.506 2.603 20 0 DFADRP C[C@H]1C[C@@H](C[NH+]2CCC(NC(=O)C3CCCCC3)CC2)CC[NH2+]1 ZINC000414737727 316644489 /nfs/dbraw/zinc/64/44/89/316644489.db2.gz DLNSBSZKQXNSOR-HOTGVXAUSA-N 2 0 321.509 2.535 20 0 DFADRP CCCn1nccc1C1CC[NH+](C[C@@H]2CC[NH2+][C@H](C)C2)CC1 ZINC000414751068 316645625 /nfs/dbraw/zinc/64/56/25/316645625.db2.gz ZNNVYDVHVFCCNL-HZPDHXFCSA-N 2 0 304.482 2.861 20 0 DFADRP [NH3+][C@@H]1CCO[C@H]1C1CC[NH+](Cc2ccc(C(F)F)cc2)CC1 ZINC000414781701 316653240 /nfs/dbraw/zinc/65/32/40/316653240.db2.gz WEWQDUPFJBVBAB-CVEARBPZSA-N 2 0 310.388 2.952 20 0 DFADRP C[C@@H](C[NH+]1CCC([C@@H]2OCC[C@H]2[NH3+])CC1)c1ccc(F)cc1 ZINC000414782596 316654045 /nfs/dbraw/zinc/65/40/45/316654045.db2.gz XUWWXQKSYAWKBZ-VHSSKADRSA-N 2 0 306.425 2.757 20 0 DFADRP Cc1nn(-c2cccc(F)c2)cc1C[NH2+][C@@H]1CCC[C@@H]1C[NH3+] ZINC000414791980 316658981 /nfs/dbraw/zinc/65/89/81/316658981.db2.gz BSNARGDLEDXAGH-CXAGYDPISA-N 2 0 302.397 2.537 20 0 DFADRP COc1cc2c(cc1C[NH2+][C@@H]1CCCC[C@H]1C[NH3+])O[C@H](C)C2 ZINC000414808760 316664223 /nfs/dbraw/zinc/66/42/23/316664223.db2.gz SSTKKZCTNKBJJD-DVOMOZLQSA-N 2 0 304.434 2.626 20 0 DFADRP Cc1csc(N2CCC([NH2+][C@@H]3CCCC[C@H]3C[NH3+])CC2)n1 ZINC000414811897 316664854 /nfs/dbraw/zinc/66/48/54/316664854.db2.gz WWRYVRNKVJPXRL-DZGCQCFKSA-N 2 0 308.495 2.527 20 0 DFADRP COc1cc(Cl)ccc1[C@H](C)[NH2+]CCOCC[NH+](C)C ZINC000421844747 316773610 /nfs/dbraw/zinc/77/36/10/316773610.db2.gz UNRFNHPHVGEKDZ-LBPRGKRZSA-N 2 0 300.830 2.577 20 0 DFADRP CCc1ccccc1[C@@H]([NH3+])CNC(=O)c1ccc([C@H](C)[NH3+])cc1 ZINC000423935828 316782649 /nfs/dbraw/zinc/78/26/49/316782649.db2.gz BLXRTXDKWSJMRU-UGSOOPFHSA-N 2 0 311.429 2.699 20 0 DFADRP C[C@H]([NH3+])c1ccc(C(=O)N[C@H](CCC[NH3+])c2ccccc2)cc1 ZINC000423962617 316787028 /nfs/dbraw/zinc/78/70/28/316787028.db2.gz FHGSTRHYRCXLET-KBXCAEBGSA-N 2 0 311.429 2.916 20 0 DFADRP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1NC(=O)[C@@H]1CCC[C@H]([NH3+])C1 ZINC000430774163 316855340 /nfs/dbraw/zinc/85/53/40/316855340.db2.gz ZFWVUPMBMCPTCF-QZWWFDLISA-N 2 0 309.498 2.521 20 0 DFADRP C[C@@H](NC(=O)CCC[NH+]1CCC([NH3+])CC1)[C@H](C)C1CCCCC1 ZINC000433126671 316878414 /nfs/dbraw/zinc/87/84/14/316878414.db2.gz DKLHWWBMLWUCEY-JKSUJKDBSA-N 2 0 323.525 2.911 20 0 DFADRP CC[C@@H](C)[C@@H]1CCCCN1C(=O)CCC[NH+]1CCC([NH3+])CC1 ZINC000433133051 316879250 /nfs/dbraw/zinc/87/92/50/316879250.db2.gz HGLWYKRXJRBVAK-WBVHZDCISA-N 2 0 309.498 2.617 20 0 DFADRP CCN(C(=O)CCC[NH+]1CCC([NH3+])CC1)c1cccc(C)c1C ZINC000433141096 316880596 /nfs/dbraw/zinc/88/05/96/316880596.db2.gz LZWIVJHGNAAVCB-UHFFFAOYSA-N 2 0 317.477 2.860 20 0 DFADRP Cc1cccc([C@@H](C)NC(=O)CCC[NH+]2CCC([NH3+])CC2)c1C ZINC000433170710 316884663 /nfs/dbraw/zinc/88/46/63/316884663.db2.gz YWYWRMNNGOFLSR-MRXNPFEDSA-N 2 0 317.477 2.684 20 0 DFADRP CCOC(=O)[C@@H]1CC[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)C[C@@H]1C ZINC000449559525 317044851 /nfs/dbraw/zinc/04/48/51/317044851.db2.gz BWVAMNZSKYVHCC-JVVAOCTPSA-N 2 0 308.466 2.569 20 0 DFADRP Cc1ccnc(N2CCN(C[C@@H]3CCCC[N@H+]3C(C)C)CC2)c1 ZINC000450503159 317100811 /nfs/dbraw/zinc/10/08/11/317100811.db2.gz RGBNOWXAJFGGND-SFHVURJKSA-N 2 0 316.493 2.775 20 0 DFADRP C[NH+](C)CCC[NH2+][C@@H](Cc1ccccc1Cl)[C@H]1CCCO1 ZINC000453067337 317158961 /nfs/dbraw/zinc/15/89/61/317158961.db2.gz ZEQWEHJZJDGMDF-DLBZAZTESA-N 2 0 310.869 2.971 20 0 DFADRP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@@H]1CC[C@H](C)c2ccsc21 ZINC000453100662 317161708 /nfs/dbraw/zinc/16/17/08/317161708.db2.gz MPHLGWUMNHGYQW-SQWLQELKSA-N 2 0 307.507 2.912 20 0 DFADRP C[C@H]1CC[C@@H]([NH2+]CC2CC[NH+](CCO)CC2)c2sccc21 ZINC000453102195 317162796 /nfs/dbraw/zinc/16/27/96/317162796.db2.gz OXWITVFASOQPDQ-XJKSGUPXSA-N 2 0 308.491 2.980 20 0 DFADRP COc1ccc2c(c1)C[C@H]([NH2+]CC(C)(C)C[NH+]1CCCC1)CO2 ZINC000453206073 317169616 /nfs/dbraw/zinc/16/96/16/317169616.db2.gz HNVHJTSHNKXAEZ-INIZCTEOSA-N 2 0 318.461 2.710 20 0 DFADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]C[C@@](C)(CC)OC)[C@@H](C)C1 ZINC000453290005 317176479 /nfs/dbraw/zinc/17/64/79/317176479.db2.gz ABUCZYRDZOCVHL-YESZJQIVSA-N 2 0 300.487 2.528 20 0 DFADRP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1cccc(-n2ccnn2)c1 ZINC000453351945 317178899 /nfs/dbraw/zinc/17/88/99/317178899.db2.gz MVONPOOWLHIBQV-HZTRTUMWSA-N 2 0 311.433 2.543 20 0 DFADRP CCC[NH+]1CCC([NH+]2CCC(OCCOC(C)C)CC2)CC1 ZINC000453353482 317179654 /nfs/dbraw/zinc/17/96/54/317179654.db2.gz JFFJXJGZAKKYNW-UHFFFAOYSA-N 2 0 312.498 2.767 20 0 DFADRP Cc1cnc(CC[NH2+]C2CC[NH+]([C@H]3CCCC[C@H]3C)CC2)cn1 ZINC000453395868 317182792 /nfs/dbraw/zinc/18/27/92/317182792.db2.gz HZEBYUJYOLIVFB-BEFAXECRSA-N 2 0 316.493 2.960 20 0 DFADRP COc1cc2c(c(C[NH2+]CCCC[N@H+](C)C3CC3)c1)O[C@H](C)C2 ZINC000453591570 317191911 /nfs/dbraw/zinc/19/19/11/317191911.db2.gz CSBSUJPKYZVFRC-CQSZACIVSA-N 2 0 318.461 2.983 20 0 DFADRP COc1cc(C)c(C[NH2+]CCCC[N@H+](C)C2CC2)cc1OC ZINC000453594958 317193068 /nfs/dbraw/zinc/19/30/68/317193068.db2.gz IVACPFKHYXKREY-UHFFFAOYSA-N 2 0 306.450 2.976 20 0 DFADRP CC[NH+](CC)CC1CC[NH+](Cc2cc(=O)[nH]c(C3CC3)n2)CC1 ZINC000459312929 317318351 /nfs/dbraw/zinc/31/83/51/317318351.db2.gz ZEFQDXFGTUHRNL-UHFFFAOYSA-N 2 0 318.465 2.613 20 0 DFADRP C[C@@H]1C[C@H]1C[N@H+](C)CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000488357984 317387086 /nfs/dbraw/zinc/38/70/86/317387086.db2.gz QTABLNZPZQVYAP-AEFFLSMTSA-N 2 0 307.526 2.771 20 0 DFADRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@@H]1CS[C@@H](C(C)(C)C)C1 ZINC000488520952 317399762 /nfs/dbraw/zinc/39/97/62/317399762.db2.gz RPRBBJSLRUPNGP-RRFJBIMHSA-N 2 0 302.528 2.853 20 0 DFADRP CCc1ccc(CC[NH+]2CCC(CO[C@H]3CC[NH2+]C3)CC2)cc1 ZINC000530243719 317778800 /nfs/dbraw/zinc/77/88/00/317778800.db2.gz ZOPYKBLRPWZJGI-FQEVSTJZSA-N 2 0 316.489 2.882 20 0 DFADRP Cc1ccccc1NC(=O)C[C@H](C)[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000570954362 317972948 /nfs/dbraw/zinc/97/29/48/317972948.db2.gz YCXQNBVCTYLYKY-MWDXBVQZSA-N 2 0 315.461 2.690 20 0 DFADRP CCN(CC)C(=O)[C@H](c1ccccc1)[NH+]1CCC(CC[NH3+])CC1 ZINC000571452554 317984396 /nfs/dbraw/zinc/98/43/96/317984396.db2.gz JDWIFOTXZFKOFX-SFHVURJKSA-N 2 0 317.477 2.657 20 0 DFADRP CC(C)C[C@H](CNC(=O)C1([NH3+])CCC1)[NH2+][C@@H](C)c1ccccc1 ZINC000572758516 318002686 /nfs/dbraw/zinc/00/26/86/318002686.db2.gz NEBHXNMVRYXVRU-DOTOQJQBSA-N 2 0 317.477 2.750 20 0 DFADRP C[C@H](CNC(=O)c1ccccc1C[NH+](C)C)[N@@H+]1CCC[C@@H](C)C1 ZINC000572787440 318003893 /nfs/dbraw/zinc/00/38/93/318003893.db2.gz UHJRHLNEQCHJPS-HZPDHXFCSA-N 2 0 317.477 2.598 20 0 DFADRP C[C@@H]1CCCC[N@@H+]1CCC(=O)Nc1ccccc1C[NH+](C)C ZINC000572973746 318009697 /nfs/dbraw/zinc/00/96/97/318009697.db2.gz AMHFMXJUYUJJFA-OAHLLOKOSA-N 2 0 303.450 2.951 20 0 DFADRP CC[NH+](CC)CCOc1ccc(C[NH2+][C@@H]2CCC[C@@H]([NH3+])C2)cc1 ZINC000574530684 318022859 /nfs/dbraw/zinc/02/28/59/318022859.db2.gz DCXYLOYDDSHBOS-QZTJIDSGSA-N 3 0 319.493 2.767 20 0 DFADRP CCc1noc(-c2ccc(CC[NH2+][C@H]3CCC[NH2+]CC3)cc2)n1 ZINC000574972517 318053995 /nfs/dbraw/zinc/05/39/95/318053995.db2.gz QZDPSXNZLJPMBD-INIZCTEOSA-N 2 0 314.433 2.573 20 0 DFADRP C[C@@H]([NH3+])c1ccc(CNC(=O)CC[C@@H]2CCCC[N@@H+]2C)cc1 ZINC000575121836 318064866 /nfs/dbraw/zinc/06/48/66/318064866.db2.gz JFEHKLCIMHTQPQ-PBHICJAKSA-N 2 0 303.450 2.587 20 0 DFADRP C[C@@H](O)C[N@H+](Cc1ccc2c(c1)C[NH2+]CC2)C1CCCCC1 ZINC000576114164 318104571 /nfs/dbraw/zinc/10/45/71/318104571.db2.gz OJSCSOMOAGRLQX-OAHLLOKOSA-N 2 0 302.462 2.848 20 0 DFADRP COc1ccc(C[NH+]2CCC([C@@H]3C[C@H]([NH3+])CCO3)CC2)c(F)c1 ZINC000576708740 318144650 /nfs/dbraw/zinc/14/46/50/318144650.db2.gz IVTNWCUCRVWNGP-QAPCUYQASA-N 2 0 322.424 2.553 20 0 DFADRP [NH3+][C@@H]1CCC[C@@H]([NH2+]CCNc2cccc(Br)c2)C1 ZINC000576767687 318149178 /nfs/dbraw/zinc/14/91/78/318149178.db2.gz OYSGSIVWGXFZQP-TZMCWYRMSA-N 2 0 312.255 2.721 20 0 DFADRP COc1cc2c(c(C[NH+]3CCC(CC[NH3+])CC3)c1)O[C@@H](C)C2 ZINC000576948333 318161504 /nfs/dbraw/zinc/16/15/04/318161504.db2.gz UDLFBEKPHHZIAY-ZDUSSCGKSA-N 2 0 304.434 2.579 20 0 DFADRP OCC1(CC[NH2+][C@@H]2CCN(Cc3ccccc3)C3(CC3)C2)CC1 ZINC000577492042 318196482 /nfs/dbraw/zinc/19/64/82/318196482.db2.gz CCLIDXWQLHZXQW-GOSISDBHSA-N 2 0 314.473 2.936 20 0 DFADRP CCc1ccc(C[NH+]2CCC(n3ncc4c3C[NH2+]C4)CC2)s1 ZINC000577501724 318197212 /nfs/dbraw/zinc/19/72/12/318197212.db2.gz FGQGXHFFRXQREN-UHFFFAOYSA-N 2 0 316.474 2.947 20 0 DFADRP C[N@@H+]1CC[C@H]([NH2+][C@@H]2COc3cc(F)ccc3C2)[C@@H]2CCC[C@@H]21 ZINC000577530545 318200223 /nfs/dbraw/zinc/20/02/23/318200223.db2.gz KCGHGYAVLQRCMF-QAETUUGQSA-N 2 0 304.409 2.592 20 0 DFADRP CC(=O)Nc1cccc(CN2CCCC[C@@H]2[C@H]2CCC[NH2+]2)c1 ZINC000577594953 318203833 /nfs/dbraw/zinc/20/38/33/318203833.db2.gz QWEUVMIZXNGSCW-QZTJIDSGSA-N 2 0 301.434 2.752 20 0 DFADRP CC(C)(C[NH2+]Cc1cc(C2CC[NH2+]CC2)no1)C(F)(F)F ZINC000577862235 318222814 /nfs/dbraw/zinc/22/28/14/318222814.db2.gz FEZYLUGVWXWPQF-UHFFFAOYSA-N 2 0 305.344 2.820 20 0 DFADRP CN(C(=O)CCCC[NH+](C)C)C(C)(C)C[NH+]1CCCCCC1 ZINC000577929405 318226278 /nfs/dbraw/zinc/22/62/78/318226278.db2.gz VXFBWPIADJELIX-UHFFFAOYSA-N 2 0 311.514 2.831 20 0 DFADRP Cc1ccc(C)c(OC[C@H](O)C[NH2+][C@@H]2CCC[C@H]([NH+](C)C)C2)c1 ZINC000578127170 318239370 /nfs/dbraw/zinc/23/93/70/318239370.db2.gz GGKYFOBNEQLAOF-FGTMMUONSA-N 2 0 320.477 2.506 20 0 DFADRP C[C@@H]1C[C@@H]([NH3+])CC[N@@H+]1CCC(=O)Nc1ccc(Cl)cc1F ZINC000578140002 318240719 /nfs/dbraw/zinc/24/07/19/318240719.db2.gz VQARRQABNHVJFY-PWSUYJOCSA-N 2 0 313.804 2.619 20 0 DFADRP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+][C@H]1CCCO[C@@H]1c1cnn(C)c1 ZINC000578422955 318259455 /nfs/dbraw/zinc/25/94/55/318259455.db2.gz PZVUXDGWUSVRSW-NRSFXHEJSA-N 2 0 320.481 2.541 20 0 DFADRP [NH3+]CCC1CC[NH+](Cc2ccc(Oc3cnccn3)cc2)CC1 ZINC000578537935 318268416 /nfs/dbraw/zinc/26/84/16/318268416.db2.gz LYWLBZPYZFXVOP-UHFFFAOYSA-N 2 0 312.417 2.830 20 0 DFADRP C[C@H](CNC(=O)Nc1ccc2c(c1)C[NH2+]C2)[N@@H+]1CCCC[C@@H]1C ZINC000578728038 318280937 /nfs/dbraw/zinc/28/09/37/318280937.db2.gz WSTVETUAIOCIJS-UONOGXRCSA-N 2 0 316.449 2.674 20 0 DFADRP CC(C)C[C@H](CNC(=O)CC[C@H](C)[NH3+])[NH2+][C@@H](C)c1ccccc1 ZINC000578745192 318282531 /nfs/dbraw/zinc/28/25/31/318282531.db2.gz JPLONJOWJNEDBL-XYJFISCASA-N 2 0 319.493 2.996 20 0 DFADRP C[C@@H](C[NH+]1CCC(N2CCOC[C@H]2C)CC1)c1ccccc1 ZINC000578905026 318294496 /nfs/dbraw/zinc/29/44/96/318294496.db2.gz YHGVVBGQWANQPG-DLBZAZTESA-N 2 0 302.462 2.975 20 0 DFADRP Cc1ccccc1NC(=O)C[C@@H](C)[NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000578977106 318298814 /nfs/dbraw/zinc/29/88/14/318298814.db2.gz PMHCWGAUANNEPK-UWWQBHOKSA-N 2 0 315.461 2.690 20 0 DFADRP C[C@H]([NH2+]CC1(c2ccccc2)CCOCC1)[C@@H]1CCC[NH2+]C1 ZINC000579341982 318323431 /nfs/dbraw/zinc/32/34/31/318323431.db2.gz IKMRMUKRLQQZCG-DLBZAZTESA-N 2 0 302.462 2.713 20 0 DFADRP Cc1c(F)cccc1NC(=O)CC[NH2+]CCC1CC[NH+](C)CC1 ZINC000579343907 318324025 /nfs/dbraw/zinc/32/40/25/318324025.db2.gz OEPDKEBYMANXIK-UHFFFAOYSA-N 2 0 321.440 2.784 20 0 DFADRP CCN(C[C@@H]1CCC[N@@H+]1CC)C(=O)c1ccc(C[NH+](C)C)cc1 ZINC000579392132 318327903 /nfs/dbraw/zinc/32/79/03/318327903.db2.gz XLAWLYKQEXSGJT-SFHVURJKSA-N 2 0 317.477 2.695 20 0 DFADRP [NH3+][C@@H]1CCC[C@@H]([NH2+]CCCc2nc(-c3ccc(F)cc3)no2)C1 ZINC000579733948 318351777 /nfs/dbraw/zinc/35/17/77/318351777.db2.gz PYWFGUXDHBISFV-HUUCEWRRSA-N 2 0 318.396 2.668 20 0 DFADRP C[C@H](NC[C@H]1CC[N@H+](CCc2ccccc2)C1)[C@@H]1CCC[NH2+]C1 ZINC000579822499 318356382 /nfs/dbraw/zinc/35/63/82/318356382.db2.gz WOHPTWIYGBCDEL-DFQSSKMNSA-N 2 0 315.505 2.529 20 0 DFADRP C[C@@H]1C[C@@H](C)[N@H+](Cc2cnc(-c3ccccc3)nc2)C[C@@H]1C[NH3+] ZINC000579944622 318364803 /nfs/dbraw/zinc/36/48/03/318364803.db2.gz IBDQJGWVWDZGMS-RKVPGOIHSA-N 2 0 310.445 2.949 20 0 DFADRP CCC1CC([NH2+][C@@H](CN2CC[NH+](C)CC2)c2ccccc2)C1 ZINC000579987344 318368376 /nfs/dbraw/zinc/36/83/76/318368376.db2.gz UBDNATAOTRWKSW-KVZIAJEVSA-N 2 0 301.478 2.753 20 0 DFADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+][C@H]1CCN(CC(F)(F)F)C1 ZINC000580062373 318372200 /nfs/dbraw/zinc/37/22/00/318372200.db2.gz NYZKKSSKRUDYGB-RDBSUJKOSA-N 2 0 307.404 2.523 20 0 DFADRP COCC1(CC[NH2+][C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)CC1 ZINC000580193314 318382316 /nfs/dbraw/zinc/38/23/16/318382316.db2.gz WENJRVQYXBERJD-LPHOPBHVSA-N 2 0 316.445 2.649 20 0 DFADRP CC[N@H+](C)C[C@H](O)C[NH+]1CCC[C@](C)(c2ccccc2)CC1 ZINC000580211829 318384452 /nfs/dbraw/zinc/38/44/52/318384452.db2.gz LUSUROLNNAFCEF-OALUTQOASA-N 2 0 304.478 2.743 20 0 DFADRP CC[N@H+](C)C[C@@H](O)C[NH+]1CCC[C@@](C)(c2ccccc2)CC1 ZINC000580211831 318384581 /nfs/dbraw/zinc/38/45/81/318384581.db2.gz LUSUROLNNAFCEF-RTBURBONSA-N 2 0 304.478 2.743 20 0 DFADRP CCc1ccccc1C[NH+]1CCN(C[C@H]2CCCC[N@@H+]2C)CC1 ZINC000188990577 323221270 /nfs/dbraw/zinc/22/12/70/323221270.db2.gz BNIKNNUWCVZNJA-HXUWFJFHSA-N 2 0 315.505 2.851 20 0 DFADRP C[C@H](CCNC(=O)[C@@H]1CCCCC[NH2+]1)[N@H+](C)Cc1ccccc1 ZINC000379681796 323290825 /nfs/dbraw/zinc/29/08/25/323290825.db2.gz TVHXUZOBLGGXAD-AEFFLSMTSA-N 2 0 317.477 2.545 20 0 DFADRP CN(CC[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1)Cc1ccccc1 ZINC000386870333 323320816 /nfs/dbraw/zinc/32/08/16/323320816.db2.gz KSICQLZDDBXMDB-OTWHNJEPSA-N 2 0 301.478 2.629 20 0 DFADRP COc1cc(OC)c(OC)cc1C[NH2+]C(C)(C)CCC[NH+](C)C ZINC000387324638 323323444 /nfs/dbraw/zinc/32/34/44/323323444.db2.gz NJXZGCFTANBMSC-UHFFFAOYSA-N 2 0 324.465 2.922 20 0 DFADRP Cc1cc(C)cc(OC[C@@H](O)C[NH2+]C2CC[NH+](C(C)C)CC2)c1 ZINC000387470833 323324678 /nfs/dbraw/zinc/32/46/78/323324678.db2.gz YUKZTPUUAVIRRX-SFHVURJKSA-N 2 0 320.477 2.506 20 0 DFADRP COc1cc2c(cc1C[N@@H+]1C[C@@H]3CCC[C@H]([NH3+])[C@H]3C1)O[C@@H](C)C2 ZINC000391512678 323346469 /nfs/dbraw/zinc/34/64/69/323346469.db2.gz QOQPXIRWSWIBPZ-PYTWLRIVSA-N 2 0 316.445 2.578 20 0 DFADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC[C@H]1CCC[NH+](C)C1 ZINC000398200966 323356481 /nfs/dbraw/zinc/35/64/81/323356481.db2.gz PMVXEASPAIHDRF-MISYRCLQSA-N 2 0 315.505 2.828 20 0 DFADRP C[C@]1(CN[C@H]2CCC[C@H]([NH3+])C2)CCC[N@@H+]1Cc1ccccc1 ZINC000398024896 323356602 /nfs/dbraw/zinc/35/66/02/323356602.db2.gz XRBPPDIDYCPPES-GBESFXJTSA-N 2 0 301.478 2.901 20 0 DFADRP [NH3+]C1C[C@H]2CCC[C@@H](C1)C2Nc1cc(NCC2CC2)ncn1 ZINC000580302159 323367260 /nfs/dbraw/zinc/36/72/60/323367260.db2.gz QJPXCGYPQCZSOJ-HFZWIWRYSA-N 2 0 301.438 2.616 20 0 DFADRP CCC1(C[NH2+]Cc2cn(-c3cc[nH+]cc3)nc2C)CCOCC1 ZINC000581452742 323525195 /nfs/dbraw/zinc/52/51/95/323525195.db2.gz IBCXKEJAUGFBLX-UHFFFAOYSA-N 2 0 314.433 2.872 20 0 DFADRP [NH3+]CC12CCC(CC1)CN2C(=O)CC[C@@H]([NH3+])CC1CCCCC1 ZINC000583270424 323825693 /nfs/dbraw/zinc/82/56/93/323825693.db2.gz DGSPKQFOJNFFJU-TVRKMHQQSA-N 2 0 321.509 2.794 20 0 DFADRP C[NH+](C)Cc1ccc(NC(=O)[C@H]2CCCCCC[C@@H]2[NH3+])cc1 ZINC000583992028 323945745 /nfs/dbraw/zinc/94/57/45/323945745.db2.gz KSARFHZCLFOZNI-IRXDYDNUSA-N 2 0 303.450 2.984 20 0 DFADRP C[C@H]([NH2+]Cc1ccc(N2CCC(C)CC2)nc1)[C@@H]1CCC[NH2+]C1 ZINC000584279225 332204670 /nfs/dbraw/zinc/20/46/70/332204670.db2.gz BWCQFTNAPAONDT-FUHWJXTLSA-N 2 0 316.493 2.796 20 0 DFADRP C[C@H]([NH2+]CC1=CC[N@H+](C)CC1)c1cncc(Br)c1 ZINC000584480655 337348854 /nfs/dbraw/zinc/34/88/54/337348854.db2.gz JIULAXFXIHCXPH-NSHDSACASA-N 2 0 310.239 2.757 20 0 DFADRP c1cc2c(cc1CN1CC[C@@H](C[NH+]3CCCCC3)C1)C[NH2+]CC2 ZINC000584634180 337377613 /nfs/dbraw/zinc/37/76/13/337377613.db2.gz BMPWWNHWUHDDQP-SFHVURJKSA-N 3 0 313.489 2.640 20 0 DFADRP c1nn(-c2cc[nH+]cc2)cc1N[C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1 ZINC000643469441 501088053 /nfs/dbraw/zinc/08/80/53/501088053.db2.gz VTGFLZBTGHOIMX-KZNAEPCWSA-N 2 0 311.433 2.990 20 0 DFADRP C[C@H]([NH2+]C1CC1)C(=O)Nc1cccc(C[NH+]2CCCCC2)c1 ZINC000294684921 533802682 /nfs/dbraw/zinc/80/26/82/533802682.db2.gz AFCWDNDCMGHODJ-AWEZNQCLSA-N 2 0 301.434 2.752 20 0 DFADRP C[C@H]([NH2+]C1CCN(c2cc[nH+]cc2)CC1)[C@@H](O)c1ccccc1 ZINC000297369859 533811793 /nfs/dbraw/zinc/81/17/93/533811793.db2.gz HNUYKUPLDHCYGL-HNAYVOBHSA-N 2 0 311.429 2.762 20 0 DFADRP C[C@H]([NH2+]CCC(C)(C)CO)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000294736410 533840367 /nfs/dbraw/zinc/84/03/67/533840367.db2.gz GTAZPDPNQLCMIB-FUHWJXTLSA-N 2 0 304.478 2.895 20 0 DFADRP C[C@H](CCO)C1(C[NH2+]C2CCN(c3cc[nH+]cc3)CC2)CCC1 ZINC000297676591 533948924 /nfs/dbraw/zinc/94/89/24/533948924.db2.gz OXUUCPKURKQUMQ-MRXNPFEDSA-N 2 0 317.477 2.829 20 0 DFADRP Clc1ccccc1CN1CCC([NH2+]CC[C@@H]2CC[NH2+]C2)CC1 ZINC000414835387 518194640 /nfs/dbraw/zinc/19/46/40/518194640.db2.gz RRLRWOMCZDTPIG-HNNXBMFYSA-N 2 0 321.896 2.894 20 0 DFADRP CC(C)Oc1ccc(C[NH2+][C@@H]2CC[N@H+](C)[C@@H]3CCC[C@H]32)cn1 ZINC000367603352 519779828 /nfs/dbraw/zinc/77/98/28/519779828.db2.gz ZEYXIWGAJYRQAC-GVDBMIGSSA-N 2 0 303.450 2.831 20 0 DFADRP CC(C)Oc1ccc(C[NH2+][C@@H]2CC[N@H+](C)[C@H]3CCC[C@@H]32)cn1 ZINC000367603353 519779933 /nfs/dbraw/zinc/77/99/33/519779933.db2.gz ZEYXIWGAJYRQAC-ZACQAIPSSA-N 2 0 303.450 2.831 20 0 DFADRP CCOC(=O)CC(C)(C)CC[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000367738736 520608609 /nfs/dbraw/zinc/60/86/09/520608609.db2.gz UOZGAPKLPUJTBU-HOTGVXAUSA-N 2 0 310.482 2.772 20 0 DFADRP CC1(C[NH+]2CCOCC2)CC[NH+](C[C@H]2Cc3ccccc32)CC1 ZINC000367753408 520705679 /nfs/dbraw/zinc/70/56/79/520705679.db2.gz KIMZEGOCIFKGCD-GOSISDBHSA-N 2 0 314.473 2.761 20 0 DFADRP Cc1ccc2[nH+]ccc(NCCN3CCC([NH+](C)C)CC3)c2c1 ZINC000302147516 534522722 /nfs/dbraw/zinc/52/27/22/534522722.db2.gz IQPGFXGCLCDQIE-UHFFFAOYSA-N 2 0 312.461 2.981 20 0 DFADRP c1nc2ccccc2n1CCC[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000321472025 534536703 /nfs/dbraw/zinc/53/67/03/534536703.db2.gz WDHHLMLYEDJDKN-ZACQAIPSSA-N 2 0 312.461 2.937 20 0 DFADRP CC[N@H+](CCN[C@@H]1CC[NH+](Cc2ccccn2)C[C@@H]1C)C(C)C ZINC000156643856 521080636 /nfs/dbraw/zinc/08/06/36/521080636.db2.gz LMDZJKXCJFTFBP-PKOBYXMFSA-N 2 0 318.509 2.612 20 0 DFADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+][C@@H](C)C[C@@H]2CCCO2)[C@H](C)C1 ZINC000156721947 521706774 /nfs/dbraw/zinc/70/67/74/521706774.db2.gz YOSUTUSVOIKUKG-VSZNYVQBSA-N 2 0 312.498 2.671 20 0 DFADRP C[N@@H+]1CC[C@H]([NH2+]Cc2ccc(N3CCCC3)nc2)[C@H]2CCC[C@H]21 ZINC000367614687 523989424 /nfs/dbraw/zinc/98/94/24/523989424.db2.gz IUQWOHRZBXVVSU-FGTMMUONSA-N 2 0 314.477 2.644 20 0 DFADRP CCc1ccc([C@H](C)[NH2+]CCCCN2CC[NH+](CC)CC2)o1 ZINC000154549866 524045766 /nfs/dbraw/zinc/04/57/66/524045766.db2.gz YVKLBDRRPSZWTH-INIZCTEOSA-N 2 0 307.482 2.910 20 0 DFADRP C[C@H](C(=O)Nc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1)C1C[NH2+]C1 ZINC000262029855 526134861 /nfs/dbraw/zinc/13/48/61/526134861.db2.gz BJORTWMFGHTXNC-CABCVRRESA-N 2 0 315.461 2.713 20 0 DFADRP O=C(NC[C@H]1CCC[N@H+](CCCC2CCCC2)C1)[C@@H]1CCC[NH2+]1 ZINC000338149470 526595448 /nfs/dbraw/zinc/59/54/48/526595448.db2.gz FVNNIWMGOIDHHS-MSOLQXFVSA-N 2 0 321.509 2.537 20 0 DFADRP CC[NH+](CC)CCC[C@H](C)NC(=O)[C@@H]([NH3+])c1ccccc1C ZINC000296802119 528116932 /nfs/dbraw/zinc/11/69/32/528116932.db2.gz MRAGKKMSNFYTNC-RDJZCZTQSA-N 2 0 305.466 2.622 20 0 DFADRP CCCC[NH+]1CCC([NH2+][C@@H]2CCO[C@@H](C(F)(F)F)C2)CC1 ZINC000314557667 528461925 /nfs/dbraw/zinc/46/19/25/528461925.db2.gz AFAQQHOALNUDCZ-ZIAGYGMSSA-N 2 0 308.388 2.950 20 0 DFADRP CC(C)[C@@](C)(O)C[NH2+][C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000309695806 528879305 /nfs/dbraw/zinc/87/93/05/528879305.db2.gz DJRABZYLXKOMDW-WDSOQIARSA-N 2 0 304.478 2.894 20 0 DFADRP CCC(CC)(C[NH3+])C(=O)NC1CC[NH+](CC2CCCC2)CC1 ZINC000261618705 534931064 /nfs/dbraw/zinc/93/10/64/534931064.db2.gz BRKVJDWYIZTIRV-UHFFFAOYSA-N 2 0 309.498 2.522 20 0 DFADRP CC(C)n1cc(C[NH2+]CC2CCN(c3cc[nH+]cc3)CC2)cn1 ZINC000361108340 535061350 /nfs/dbraw/zinc/06/13/50/535061350.db2.gz XTBKKIALNFFIFS-UHFFFAOYSA-N 2 0 313.449 2.865 20 0 DFADRP CC(C)[C@H]1CN(C(=O)Nc2cccc(C[NH+](C)C)c2)CC[N@@H+]1C ZINC000362762727 535220567 /nfs/dbraw/zinc/22/05/67/535220567.db2.gz LUWZFRFWPYMKSH-QGZVFWFLSA-N 2 0 318.465 2.552 20 0 DFADRP CC[NH+](CC)CC1CC[NH+](Cc2nccc(OC)c2OC)CC1 ZINC000354871616 535496588 /nfs/dbraw/zinc/49/65/88/535496588.db2.gz NIQWIBHRZDAWGU-UHFFFAOYSA-N 2 0 321.465 2.653 20 0 DFADRP CCO[C@@H]1C[C@H]([NH2+]CC[C@H](C)[NH+]2CCCCC2)C12CCOCC2 ZINC000249010353 535500904 /nfs/dbraw/zinc/50/09/04/535500904.db2.gz OOTRVGDMMUUDFR-OKZBNKHCSA-N 2 0 324.509 2.815 20 0 DFADRP CC[NH+](CC)Cc1ccc(CNC(=O)[C@@H]2C[C@H](C)CC[NH2+]2)cc1 ZINC000261834832 535606182 /nfs/dbraw/zinc/60/61/82/535606182.db2.gz IHIYHHSULXZCGM-QAPCUYQASA-N 2 0 317.477 2.533 20 0 DFADRP CC[NH+](CC)[C@@H](CNC(=O)CC[C@@H]1CCC[NH2+]1)c1ccccc1 ZINC000261898724 535652226 /nfs/dbraw/zinc/65/22/26/535652226.db2.gz OQHVQAKPBXOURO-ROUUACIJSA-N 2 0 317.477 2.718 20 0 DFADRP CC[NH+]1CCN([C@H](C)C[NH2+][C@H](C)c2cc(F)cc(F)c2)CC1 ZINC000155667447 535741339 /nfs/dbraw/zinc/74/13/39/535741339.db2.gz XTYVPEIAWKBUQU-ZIAGYGMSSA-N 2 0 311.420 2.641 20 0 DFADRP CC[C@H]([NH2+]CCc1ccc(OCC[NH+](C)C)cc1)[C@H]1CCOC1 ZINC000361176100 535906723 /nfs/dbraw/zinc/90/67/23/535906723.db2.gz UEZVKZYWOPJMPA-HKUYNNGSSA-N 2 0 320.477 2.574 20 0 DFADRP CC[C@H](c1ccccc1)[N@@H+]1CC[C@@H](N2CC[NH+](CC)CC2)C1 ZINC000245917287 536063539 /nfs/dbraw/zinc/06/35/39/536063539.db2.gz LKHAWDIIBVZRGN-RTBURBONSA-N 2 0 301.478 2.850 20 0 DFADRP C[NH+]1CCC(N[C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)CC1 ZINC000245714882 536345263 /nfs/dbraw/zinc/34/52/63/536345263.db2.gz NVBLADOBARAGBM-OWZKRDHZSA-N 2 0 313.489 2.866 20 0 DFADRP CN(CC[NH2+]C1CC[NH+](C2CCCCC2)CC1)CC(F)(F)F ZINC000361344584 536387493 /nfs/dbraw/zinc/38/74/93/536387493.db2.gz DZEROPACVPWCLM-UHFFFAOYSA-N 2 0 321.431 2.867 20 0 DFADRP C[NH+]1CCN(c2ccc(C[NH2+]CCC3CCCCC3)cn2)CC1 ZINC000361543742 536421122 /nfs/dbraw/zinc/42/11/22/536421122.db2.gz PQEZJNYXLOVAOP-UHFFFAOYSA-N 2 0 316.493 2.893 20 0 DFADRP C[NH+](C)CCOc1ccc(C[N@H+](C)CCc2ccccn2)cc1 ZINC000680477922 545500263 /nfs/dbraw/zinc/50/02/63/545500263.db2.gz GQIGTWQUQPCMGN-UHFFFAOYSA-N 2 0 313.445 2.697 20 0 DFADRP CC[NH+](CC)CCOCC[NH2+]C[C@@H]1CCOc2ccccc21 ZINC000680484102 545501086 /nfs/dbraw/zinc/50/10/86/545501086.db2.gz UKKFLIYGRDDSBF-INIZCTEOSA-N 2 0 306.450 2.501 20 0 DFADRP Cc1ccc2[nH+]ccc(N3CC[NH+]([C@H]4CCC[C@@H]4O)CC3)c2c1 ZINC000680620470 545519631 /nfs/dbraw/zinc/51/96/31/545519631.db2.gz HQBBJGMWQYIYFN-OALUTQOASA-N 2 0 311.429 2.579 20 0 DFADRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+][C@H]1CCc2c1cc(F)cc2F ZINC000681140738 545602597 /nfs/dbraw/zinc/60/25/97/545602597.db2.gz BYXXMFLZEYGLJU-ACJLOTCBSA-N 2 0 323.431 2.568 20 0 DFADRP C[N@@H+]1CCCN(CCC[NH2+]Cc2cc(F)cc(Cl)c2)CC1 ZINC000681594862 545675770 /nfs/dbraw/zinc/67/57/70/545675770.db2.gz ZRMNDMHILBBTDT-UHFFFAOYSA-N 2 0 313.848 2.596 20 0 DFADRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H]2CCS[C@H]2C)[C@H](C)C1 ZINC000682159052 545808455 /nfs/dbraw/zinc/80/84/55/545808455.db2.gz KZJRFKOKQUJUQV-FXUDXRNXSA-N 2 0 300.512 2.607 20 0 DFADRP CC(C)[C@H](C[NH2+]C1CC[NH+](CC2CC2)CC1)c1ccnn1C ZINC000682648028 545891445 /nfs/dbraw/zinc/89/14/45/545891445.db2.gz WAYYEGBERUVCKD-KRWDZBQOSA-N 2 0 304.482 2.624 20 0 DFADRP CCC[NH+]1CCC([NH2+]Cc2ccc(Cn3cccn3)cc2)CC1 ZINC000683141222 545978659 /nfs/dbraw/zinc/97/86/59/545978659.db2.gz QQIXYAIYNOOPTH-UHFFFAOYSA-N 2 0 312.461 2.895 20 0 DFADRP Cc1ccc([C@@H](C)[NH2+]CCC[N@@H+]2CCCO[C@H](C)C2)c(C)n1 ZINC000683346142 546015733 /nfs/dbraw/zinc/01/57/33/546015733.db2.gz SEFJJUJALQUQML-HZPDHXFCSA-N 2 0 305.466 2.850 20 0 DFADRP C[NH+]1CCN(C(C)(C)C[NH2+][C@H]2CCCNc3ccccc32)CC1 ZINC000683690192 546076104 /nfs/dbraw/zinc/07/61/04/546076104.db2.gz YRVMDICMWUMPSD-SFHVURJKSA-N 2 0 316.493 2.549 20 0 DFADRP C[NH+]1CCN(C(C)(C)C[NH2+][C@@H]2CCCNc3ccccc32)CC1 ZINC000683690191 546076590 /nfs/dbraw/zinc/07/65/90/546076590.db2.gz YRVMDICMWUMPSD-GOSISDBHSA-N 2 0 316.493 2.549 20 0 DFADRP Cc1ccc(CN2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)cc1Cl ZINC000683698998 546078457 /nfs/dbraw/zinc/07/84/57/546078457.db2.gz ZKRWBGIKCLHLBB-QGZVFWFLSA-N 2 0 321.896 2.860 20 0 DFADRP Cn1nccc1[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)C1 ZINC000684112695 546153781 /nfs/dbraw/zinc/15/37/81/546153781.db2.gz XQIYPHKOZVVPLW-TWMKSMIVSA-N 2 0 302.466 2.663 20 0 DFADRP CO[C@@H]1CCC[C@@H]([NH2+]CCc2ccc(OCC[NH+](C)C)cc2)C1 ZINC000684375710 546203938 /nfs/dbraw/zinc/20/39/38/546203938.db2.gz AEBVRJODSGRCAZ-IEBWSBKVSA-N 2 0 320.477 2.717 20 0 DFADRP CC1=CCC[C@@H](C)[C@@H]1C[N@H+](C)CCN(C)C1CC[NH+](C)CC1 ZINC000685454793 546352805 /nfs/dbraw/zinc/35/28/05/546352805.db2.gz RMALOMYOTVWISF-IEBWSBKVSA-N 2 0 307.526 2.937 20 0 DFADRP C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C[C@H]2CCOc3ccccc32)C1 ZINC000685471116 546358464 /nfs/dbraw/zinc/35/84/64/546358464.db2.gz NCIFZMROXMLMNM-JFIYKMOQSA-N 2 0 300.446 2.969 20 0 DFADRP CC[C@H](C[NH2+]Cc1ccc(OCC[NH+]2CCCC2)cc1)OC ZINC000685631962 546378302 /nfs/dbraw/zinc/37/83/02/546378302.db2.gz SVYUDJYLEOFLBD-QGZVFWFLSA-N 2 0 306.450 2.676 20 0 DFADRP CC(C)[C@](C)(CO)[NH2+]Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000685629947 546378353 /nfs/dbraw/zinc/37/83/53/546378353.db2.gz XDWNVWGSOQJRLS-IBGZPJMESA-N 2 0 320.477 2.658 20 0 DFADRP C[C@@H](C(=O)N1CCCC[C@@H]([NH+]2CCCC2)C1)[NH+]1CCCCCC1 ZINC000074590441 185000205 /nfs/dbraw/zinc/00/02/05/185000205.db2.gz OYQLBGVFTPSTNL-ZWKOTPCHSA-N 2 0 321.509 2.728 20 0 DFADRP CC[NH+]1CCC(CC[NH2+]Cc2c(OC)cccc2OC)CC1 ZINC000286534267 219041342 /nfs/dbraw/zinc/04/13/42/219041342.db2.gz NWARDWWQGIRTOX-UHFFFAOYSA-N 2 0 306.450 2.915 20 0 DFADRP COc1ccc([C@@H](C)[NH2+]CCN2CCC([NH+](C)C)CC2)cc1C ZINC000272860528 210255116 /nfs/dbraw/zinc/25/51/16/210255116.db2.gz IXSTVYIJPWISQX-MRXNPFEDSA-N 2 0 319.493 2.680 20 0 DFADRP C[C@@H](CN[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)[NH+](C)C ZINC000278624037 214282419 /nfs/dbraw/zinc/28/24/19/214282419.db2.gz GLBOTTQYLKHEDJ-KANFNMMFSA-N 2 0 301.478 2.722 20 0 DFADRP CC[C@@H](C)[N@H+](C)CCNC(=O)c1cccc(C[NH+]2CCCC2)c1 ZINC000066124832 398358206 /nfs/dbraw/zinc/35/82/06/398358206.db2.gz NOSBEWQGSRXLIS-MRXNPFEDSA-N 2 0 317.477 2.743 20 0 DFADRP CC(C)[NH+](CCNC(=O)CC[C@@H]([NH3+])c1ccccc1)C(C)C ZINC000236782315 398364096 /nfs/dbraw/zinc/36/40/96/398364096.db2.gz LEXBSUXZVYQFLD-QGZVFWFLSA-N 2 0 305.466 2.702 20 0 DFADRP C[NH+](C)CC[C@H](NC(=O)CC[C@@H]([NH3+])c1ccccc1)C(C)(C)C ZINC000236986142 398365403 /nfs/dbraw/zinc/36/54/03/398365403.db2.gz RCUIVISDRALSDA-SJORKVTESA-N 2 0 319.493 2.949 20 0 DFADRP CCOc1cc(C[NH2+]C[C@@H]2CCCN2C)cc(Cl)c1OC ZINC000236945096 398365602 /nfs/dbraw/zinc/36/56/02/398365602.db2.gz YTDJHEAFEVWRMA-ZDUSSCGKSA-N 2 0 312.841 2.931 20 0 DFADRP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)CC[C@@H]([NH3+])c1ccccc1 ZINC000236910301 398365770 /nfs/dbraw/zinc/36/57/70/398365770.db2.gz APZMSZLZHSIRBW-QZTJIDSGSA-N 2 0 317.477 2.847 20 0 DFADRP Cc1ccc(NC(=O)C[C@H](C)[NH2+]C[C@H]2CCCN2C)c(C)c1 ZINC000237582066 398371412 /nfs/dbraw/zinc/37/14/12/398371412.db2.gz SBCOSBLPYRYSNP-JKSUJKDBSA-N 2 0 303.450 2.704 20 0 DFADRP c1cn(-c2cccc(C[NH2+]Cc3cnc(C4CC4)nc3)c2)cn1 ZINC000459352354 299086010 /nfs/dbraw/zinc/08/60/10/299086010.db2.gz DXBGGCIIRBJJSQ-UHFFFAOYSA-N 2 0 305.385 2.830 20 0 DFADRP CCC[N@H+](CC)Cc1ccc(C(=O)N[C@@H]2CC[NH2+][C@@H](C)C2)cc1 ZINC000278209128 214025084 /nfs/dbraw/zinc/02/50/84/214025084.db2.gz HLBQLOWEOZLCJH-MAUKXSAKSA-N 2 0 317.477 2.789 20 0 DFADRP C[C@H]1CCC[N@H+](CCCC[NH2+]Cc2cnc(C3CC3)nc2)C1 ZINC000459378852 299091470 /nfs/dbraw/zinc/09/14/70/299091470.db2.gz ROKGKQAJAZYRAR-HNNXBMFYSA-N 2 0 302.466 2.956 20 0 DFADRP CCOC(=O)c1ccc(C[NH+]2CCC(CC[NH+](C)C)CC2)o1 ZINC000092381324 185314632 /nfs/dbraw/zinc/31/46/32/185314632.db2.gz UUMDVJSYMUAQQQ-UHFFFAOYSA-N 2 0 308.422 2.620 20 0 DFADRP CC(C)[C@H](CNC1CC[NH+](C2CC2)CC1)[NH+]1CCC(C)CC1 ZINC000459375345 299090938 /nfs/dbraw/zinc/09/09/38/299090938.db2.gz ZCXUIHGJUORVEP-IBGZPJMESA-N 2 0 307.526 2.959 20 0 DFADRP CCO[C@@H]1C[C@H]([NH2+]CCCC[N@@H+]2CCC[C@@H](C)C2)[C@@H]1SC ZINC000459374784 299090944 /nfs/dbraw/zinc/09/09/44/299090944.db2.gz MFSCVUUAZBHWEM-TWMKSMIVSA-N 2 0 314.539 2.997 20 0 DFADRP O[C@@H]1CCC[C@H]1[NH+]1CCC([NH2+]Cc2ccc3occc3c2)CC1 ZINC000286608675 219079810 /nfs/dbraw/zinc/07/98/10/219079810.db2.gz RLRQXQXQNOGEJX-QZTJIDSGSA-N 2 0 314.429 2.900 20 0 DFADRP CCO[C@@H]1C[C@H]([NH2+]C2CC[NH+](C(C)(C)C)CC2)[C@H]1SC ZINC000459387065 299093163 /nfs/dbraw/zinc/09/31/63/299093163.db2.gz JBUGVZNRPGKEQZ-RRFJBIMHSA-N 2 0 300.512 2.748 20 0 DFADRP C[C@@H]1CCC[C@H](C[NH2+]C2CCN(C3CC[NH+](C)CC3)CC2)C1 ZINC000092564479 185326288 /nfs/dbraw/zinc/32/62/88/185326288.db2.gz VYUAFTVUVMYTEV-SJORKVTESA-N 2 0 307.526 2.961 20 0 DFADRP CC[N@@H+]1CC[C@H](C[NH2+][C@@H](C)c2sc(CCOC)nc2C)C1 ZINC000092739766 185337885 /nfs/dbraw/zinc/33/78/85/185337885.db2.gz RQYJVYBRSQEGGZ-GXTWGEPZSA-N 2 0 311.495 2.633 20 0 DFADRP CCOC(=O)CC[N@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000092820953 185343980 /nfs/dbraw/zinc/34/39/80/185343980.db2.gz MFGINHDZFPQMOV-UHFFFAOYSA-N 2 0 319.449 2.573 20 0 DFADRP CCOc1ccc([C@@H](C)[NH2+]CCc2cncn2C)cc1OC ZINC000459400685 299096913 /nfs/dbraw/zinc/09/69/13/299096913.db2.gz WKJWNFMHOPDMTM-CYBMUJFWSA-N 2 0 303.406 2.721 20 0 DFADRP CCc1ccc2[nH+]ccc(NC[C@H](C)N3CC[NH+](C)CC3)c2c1 ZINC000295629324 529731954 /nfs/dbraw/zinc/73/19/54/529731954.db2.gz XHPNWZIUIQIQGK-HNNXBMFYSA-N 2 0 312.461 2.845 20 0 DFADRP C[C@H](CC(=O)OC(C)(C)C)[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000459407940 299099438 /nfs/dbraw/zinc/09/94/38/299099438.db2.gz WFQFWIBEPQHOJN-CQSZACIVSA-N 2 0 319.449 2.760 20 0 DFADRP COCC(C)(C)[NH2+]Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000066995993 398412539 /nfs/dbraw/zinc/41/25/39/398412539.db2.gz NNFQMCFOBKBALT-UHFFFAOYSA-N 2 0 306.450 2.676 20 0 DFADRP COC(=O)CC[C@H]([NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)c1ccccc1 ZINC000592469471 398430484 /nfs/dbraw/zinc/43/04/84/398430484.db2.gz QZZALPWBBZHWMN-XDNAFOTISA-N 2 0 316.445 2.659 20 0 DFADRP C[C@H](CC(=O)NCCCC[N@@H+]1CCCC[C@@H]1C)[C@H]1CCC[NH2+]C1 ZINC000262602332 398431784 /nfs/dbraw/zinc/43/17/84/398431784.db2.gz ACZUPOUKTQVOAE-SQNIBIBYSA-N 2 0 323.525 2.783 20 0 DFADRP C[C@H]1CCC[C@H](C)N1CC[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000459435464 299106262 /nfs/dbraw/zinc/10/62/62/299106262.db2.gz VRNYNQDITHKOIP-IRXDYDNUSA-N 2 0 316.493 2.903 20 0 DFADRP CC1(C)[C@H]([NH2+]C2CCN(c3cc[nH+]cc3)CC2)[C@H]2CCCO[C@H]21 ZINC000459435280 299106548 /nfs/dbraw/zinc/10/65/48/299106548.db2.gz XJTJGMFJPKJQMI-KZNAEPCWSA-N 2 0 315.461 2.844 20 0 DFADRP CCO[C@@H]1C[C@H]([NH2+]C[C@@H]2CCC[N@H+](CC(C)C)C2)[C@H]1SC ZINC000459453752 299110663 /nfs/dbraw/zinc/11/06/63/299110663.db2.gz SZUNEJAOPDICQT-MWDXBVQZSA-N 2 0 314.539 2.853 20 0 DFADRP O[C@H]1CCC[C@H]1[NH+]1CCC([NH2+]C[C@@H]2C[C@H]2c2ccccc2)CC1 ZINC000459456264 299111336 /nfs/dbraw/zinc/11/13/36/299111336.db2.gz ZKSZVQVETJNPBW-FFGOWVMKSA-N 2 0 314.473 2.758 20 0 DFADRP C[NH+]1CCC(O)(C[NH2+][C@@H](Cc2ccccc2Cl)C2CC2)CC1 ZINC000294708895 530050965 /nfs/dbraw/zinc/05/09/65/530050965.db2.gz JKHXWXPOIGXBJF-KRWDZBQOSA-N 2 0 322.880 2.707 20 0 DFADRP CC[N@H+](CCC1CC[NH+](CCc2cn[nH]c2)CC1)CC1CC1 ZINC000459466450 299113762 /nfs/dbraw/zinc/11/37/62/299113762.db2.gz JPFJDHLGPSYBAN-UHFFFAOYSA-N 2 0 304.482 2.786 20 0 DFADRP CCc1ccc(C[NH2+]C[C@H](C(C)C)N2CC[NH+](C)CC2)s1 ZINC000051718665 282398318 /nfs/dbraw/zinc/39/83/18/282398318.db2.gz PJVIRSUTTXYWTA-QGZVFWFLSA-N 2 0 309.523 2.672 20 0 DFADRP COc1ccnc(C[N@@H+]2CC[C@H](CNc3cc(C)cc[nH+]3)C2)c1 ZINC000592806962 398487322 /nfs/dbraw/zinc/48/73/22/398487322.db2.gz QEXRHEBZTOVSAA-OAHLLOKOSA-N 2 0 312.417 2.728 20 0 DFADRP C[C@H]([NH2+]C[C@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1)c1cnn(C)c1 ZINC000090708594 398492080 /nfs/dbraw/zinc/49/20/80/398492080.db2.gz RTISBOQCHCKHSX-SOLBZPMBSA-N 2 0 312.461 2.981 20 0 DFADRP C[NH+](C)CC1CCC([NH2+]C2CCN(c3nccs3)CC2)CC1 ZINC000090707543 398492203 /nfs/dbraw/zinc/49/22/03/398492203.db2.gz PGZQQBRUDBDSGZ-UHFFFAOYSA-N 2 0 322.522 2.822 20 0 DFADRP C[C@@H]([NH2+]C1CCC(O)CC1)c1ccc(OCC[NH+](C)C)cc1 ZINC000090800259 398492633 /nfs/dbraw/zinc/49/26/33/398492633.db2.gz HCSHMDQYWWBFFJ-ODIFPOPNSA-N 2 0 306.450 2.581 20 0 DFADRP COc1cccc(COCC[NH2+][C@@H]2C[C@@H](C)[N@H+](C)C[C@H]2C)c1 ZINC000090806935 398492838 /nfs/dbraw/zinc/49/28/38/398492838.db2.gz GYKHDYOKWPZLTJ-IIDMSEBBSA-N 2 0 306.450 2.530 20 0 DFADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]Cc1cccc(-c2cnn(C)c2)c1 ZINC000090920330 398496567 /nfs/dbraw/zinc/49/65/67/398496567.db2.gz YPFZWLHXZBSCED-SPYBWZPUSA-N 2 0 312.461 2.905 20 0 DFADRP COc1ccccc1OC[C@H](C)C[NH2+][C@H]1CC[N@H+](C)C[C@@H]1C ZINC000090937594 398497250 /nfs/dbraw/zinc/49/72/50/398497250.db2.gz NADKFIYIGNFGCH-PMPSAXMXSA-N 2 0 306.450 2.640 20 0 DFADRP COc1ccccc1OC[C@H](C)C[NH2+][C@H]1CC[N@H+](C)C[C@H]1C ZINC000090937593 398497415 /nfs/dbraw/zinc/49/74/15/398497415.db2.gz NADKFIYIGNFGCH-OAGGEKHMSA-N 2 0 306.450 2.640 20 0 DFADRP C[C@H](CCO)C[NH2+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000272691511 210097556 /nfs/dbraw/zinc/09/75/56/210097556.db2.gz POABDWRNGIPBCB-VBSBHUPXSA-N 2 0 316.489 2.895 20 0 DFADRP CC(C)[NH2+][C@@H]1CCCN(C(=O)Nc2cccc(C[NH+](C)C)c2)C1 ZINC000588773418 398506968 /nfs/dbraw/zinc/50/69/68/398506968.db2.gz MWWJPROXHHGVKX-QGZVFWFLSA-N 2 0 318.465 2.743 20 0 DFADRP CCO[C@@H]1CCCC[C@H]1[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000459556651 299133032 /nfs/dbraw/zinc/13/30/32/299133032.db2.gz BAZOTBYBMCGCIQ-QZTJIDSGSA-N 2 0 303.450 2.988 20 0 DFADRP COc1cc(C[NH2+]C[C@@H]2CCC[N@H+](C)C2)ccc1OC(C)C ZINC000068722622 398522741 /nfs/dbraw/zinc/52/27/41/398522741.db2.gz IEKIMXIQIQCUIA-INIZCTEOSA-N 2 0 306.450 2.914 20 0 DFADRP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@@H]2c3ccccc3C[C@@H]2C)CC1 ZINC000121208041 185764801 /nfs/dbraw/zinc/76/48/01/185764801.db2.gz TVZFXQGEEAYVIW-UWVAXJGDSA-N 2 0 315.505 2.783 20 0 DFADRP CC[C@H]([NH2+]CCCN1CCN(c2cc[nH+]cc2)CC1)[C@@H]1C[C@H]1C ZINC000414065832 295762892 /nfs/dbraw/zinc/76/28/92/295762892.db2.gz GMIIHMGEIKJIEN-QRQLOZEOSA-N 2 0 316.493 2.618 20 0 DFADRP COC[C@@]1(CN[C@H](C)c2ccc(Cl)c(F)c2)CCC[NH2+]1 ZINC000567580240 302369833 /nfs/dbraw/zinc/36/98/33/302369833.db2.gz JRNGGWOCSMWUCW-ABAIWWIYSA-N 2 0 300.805 2.898 20 0 DFADRP CC[NH+](CC)CCCN1CC[C@@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000279720665 215091026 /nfs/dbraw/zinc/09/10/26/215091026.db2.gz LQQRUTXNWYEETE-IBGZPJMESA-N 2 0 318.509 2.567 20 0 DFADRP CC[NH+]1CCC(CC[NH2+][C@H](C)Cc2ccc(OC)nc2)CC1 ZINC000414115192 295768992 /nfs/dbraw/zinc/76/89/92/295768992.db2.gz PECWLMNUQYWEEX-OAHLLOKOSA-N 2 0 305.466 2.733 20 0 DFADRP CCCC[N@H+](C)CC1CCN(C(=O)CC[C@H]2CCC[NH2+]C2)CC1 ZINC000320859275 398549420 /nfs/dbraw/zinc/54/94/20/398549420.db2.gz QAUGHBGQKKKOGO-QGZVFWFLSA-N 2 0 323.525 2.737 20 0 DFADRP C[C@@H](C(=O)NC[C@@H](c1cccc(Cl)c1)[NH+]1CCCC1)[C@H](C)[NH3+] ZINC000192095655 295779597 /nfs/dbraw/zinc/77/95/97/295779597.db2.gz HVIGMXSQVWWJDP-WWGRRREGSA-N 2 0 323.868 2.576 20 0 DFADRP CC[NH+](CC)Cc1ccccc1CNC(=O)[C@@H]1CCCCC[NH2+]1 ZINC000321637793 398553708 /nfs/dbraw/zinc/55/37/08/398553708.db2.gz QARDNLVCIJZHDX-SFHVURJKSA-N 2 0 317.477 2.677 20 0 DFADRP Cc1ccc(C[NH2+]CC2CC[NH+](Cc3ccccc3)CC2)nn1 ZINC000414295675 295785247 /nfs/dbraw/zinc/78/52/47/295785247.db2.gz DLNYCNMCXYCNBC-UHFFFAOYSA-N 2 0 310.445 2.787 20 0 DFADRP CCn1cc[nH+]c1NCc1ccccc1N1CC[NH+](CC)CC1 ZINC000414303476 295785985 /nfs/dbraw/zinc/78/59/85/295785985.db2.gz PLAJZHOIRKULRJ-UHFFFAOYSA-N 2 0 313.449 2.657 20 0 DFADRP COC(=O)c1ccc(CN2CCC[C@@H]3C[N@H+](C)CC[C@H]32)cc1F ZINC000597133380 398573357 /nfs/dbraw/zinc/57/33/57/398573357.db2.gz SSWZJALHRJOLJA-RHSMWYFYSA-N 2 0 320.408 2.528 20 0 DFADRP Cc1cc(C[NH2+]C2CCC([NH+]3CCC(C)CC3)CC2)nn1C ZINC000414370019 295793864 /nfs/dbraw/zinc/79/38/64/295793864.db2.gz VWSJOTZBPXLVDL-UHFFFAOYSA-N 2 0 304.482 2.861 20 0 DFADRP CCc1ncc(C[NH2+]Cc2ccc(F)c(C[NH+](C)C)c2)cn1 ZINC000414392523 295796418 /nfs/dbraw/zinc/79/64/18/295796418.db2.gz MRIPQXKODYZUPC-UHFFFAOYSA-N 2 0 302.397 2.530 20 0 DFADRP CCOC(=O)[C@@H]1CC[C@@H]([NH2+]Cc2ccc(C[NH3+])cc2F)C[C@H]1C ZINC000593317164 398596751 /nfs/dbraw/zinc/59/67/51/398596751.db2.gz RFJOWMGDRJTCDM-DAXOMENPSA-N 2 0 322.424 2.742 20 0 DFADRP CC[NH+]1CCN([C@@H]2CC[N@H+](C[C@@H]3C[C@@H]3c3ccccc3)C2)CC1 ZINC000093132994 398620911 /nfs/dbraw/zinc/62/09/11/398620911.db2.gz WECITSAFIPSRJY-XUVXKRRUSA-N 2 0 313.489 2.502 20 0 DFADRP O=C(CC[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1)Nc1ccccc1F ZINC000150751896 186063752 /nfs/dbraw/zinc/06/37/52/186063752.db2.gz KJCJLRZEVHDFDA-HNNXBMFYSA-N 2 0 319.424 2.572 20 0 DFADRP C[C@@H](Cc1ccccc1)C[NH+]1CCN(CC[NH+]2CCCC2)CC1 ZINC000182028532 199376190 /nfs/dbraw/zinc/37/61/90/199376190.db2.gz BFJIZMDMYYMROY-IBGZPJMESA-N 2 0 315.505 2.579 20 0 DFADRP C[C@@H]([NH2+]CC(C)(C)N(C)C)c1ccc(OCC[NH+](C)C)cc1 ZINC000152589278 186088244 /nfs/dbraw/zinc/08/82/44/186088244.db2.gz XWFGZLNIMCENOI-OAHLLOKOSA-N 2 0 307.482 2.618 20 0 DFADRP C[C@H](C[NH2+]C1CC[NH+](C[C@@H]2CCOC2)CC1)Cc1ccccc1 ZINC000152653795 186094615 /nfs/dbraw/zinc/09/46/15/186094615.db2.gz KKHXAJZAJKEBCZ-HKUYNNGSSA-N 2 0 316.489 2.956 20 0 DFADRP CC[C@H](C)[C@H](O)C[NH2+][C@@H](C)c1cccc(OCC[NH+](C)C)c1 ZINC000163936923 186142552 /nfs/dbraw/zinc/14/25/52/186142552.db2.gz DKPBXZSLYSOBQP-RLFYNMQTSA-N 2 0 308.466 2.685 20 0 DFADRP CC(C)[NH+]1CCC(C(=O)NC[C@@H](c2ccsc2)[NH+](C)C)CC1 ZINC000072883641 398645118 /nfs/dbraw/zinc/64/51/18/398645118.db2.gz RRBCXTGENLPIOG-INIZCTEOSA-N 2 0 323.506 2.587 20 0 DFADRP C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)CCCCCC[NH3+])C1 ZINC000237463413 186293727 /nfs/dbraw/zinc/29/37/27/186293727.db2.gz WGHIVEQYODSPRW-HZPDHXFCSA-N 2 0 311.514 2.768 20 0 DFADRP C[C@@H]1CCC[N@H+](Cc2ccc(NC(=O)[C@@H]3CCC[NH2+]3)cc2)C1 ZINC000237478891 186295796 /nfs/dbraw/zinc/29/57/96/186295796.db2.gz ZEABPLVSIGIZLD-PBHICJAKSA-N 2 0 301.434 2.609 20 0 DFADRP C[N@@H+]1CCC[C@@H](CC[NH2+]Cc2cn3cc(Cl)ccc3n2)C1 ZINC000459722803 299172630 /nfs/dbraw/zinc/17/26/30/299172630.db2.gz BZXGBAUXYRTTGO-ZDUSSCGKSA-N 2 0 306.841 2.809 20 0 DFADRP C[N@@H+]1CCC[C@H](CC[NH2+]C2CCN(c3ccccc3)CC2)C1 ZINC000459725957 299174149 /nfs/dbraw/zinc/17/41/49/299174149.db2.gz FSSVTXWNSIPOKB-QGZVFWFLSA-N 2 0 301.478 2.977 20 0 DFADRP [NH3+][C@@H]1CCO[C@H]1C1CC[NH+](Cc2cc(Cl)cs2)CC1 ZINC000414765791 295819933 /nfs/dbraw/zinc/81/99/33/295819933.db2.gz CLVRASTWBWQBES-KGLIPLIRSA-N 2 0 300.855 2.730 20 0 DFADRP CCOc1cc(C[NH2+]CC[C@H]2CCC[N@H+](C)C2)ccc1OC ZINC000459731219 299175197 /nfs/dbraw/zinc/17/51/97/299175197.db2.gz KYDRXYAAOXZZKZ-OAHLLOKOSA-N 2 0 306.450 2.915 20 0 DFADRP C[N@@H+]1CCC[C@H](CC[NH2+]Cc2ccc(N3CCCC3)nc2)C1 ZINC000459731973 299175679 /nfs/dbraw/zinc/17/56/79/299175679.db2.gz LPGHZJAVELFHSM-MRXNPFEDSA-N 2 0 302.466 2.503 20 0 DFADRP [NH3+]C[C@H]1CCCC[C@@H]1[NH2+]Cc1ccc(-n2ccnc2)c(F)c1 ZINC000414804237 295821007 /nfs/dbraw/zinc/82/10/07/295821007.db2.gz OKZCLFURZAXTBG-ZBFHGGJFSA-N 2 0 302.397 2.619 20 0 DFADRP COc1ccc(CC[C@H](C)[NH2+][C@H](C)[C@@H]2CCC[NH2+]C2)cc1O ZINC000414819127 295821564 /nfs/dbraw/zinc/82/15/64/295821564.db2.gz GSNUXLGHHAAOLP-SQWLQELKSA-N 2 0 306.450 2.700 20 0 DFADRP C[C@@H](CC(=O)Nc1ccc(F)cc1)[NH2+]CC[C@H]1CCC[NH2+]C1 ZINC000414831390 295823702 /nfs/dbraw/zinc/82/37/02/295823702.db2.gz DCAJIXVHRGSEGU-UONOGXRCSA-N 2 0 307.413 2.522 20 0 DFADRP COc1ccc(C[C@@H](C)C[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1F ZINC000414827430 295822970 /nfs/dbraw/zinc/82/29/70/295822970.db2.gz KSOZRLAHCKHRFH-SLHHOWHOSA-N 2 0 306.425 2.886 20 0 DFADRP Cn1cc(C[NH2+]C[C@@H]2CCC[NH2+]C2)c(-c2ccccc2Cl)n1 ZINC000414833941 295823986 /nfs/dbraw/zinc/82/39/86/295823986.db2.gz RWOQNHIPPVMOBD-CYBMUJFWSA-N 2 0 318.852 2.830 20 0 DFADRP C[NH2+]C[C@@H](C)C[NH2+][C@@H](C)CC(=O)Nc1ccc(C)c(Cl)c1 ZINC000414842619 295825188 /nfs/dbraw/zinc/82/51/88/295825188.db2.gz PFMQSNAMIWMEON-YPMHNXCESA-N 2 0 311.857 2.811 20 0 DFADRP c1sc(-c2ccccn2)nc1C[NH2+]CC[C@@H]1CCC[NH2+]C1 ZINC000414854004 295826335 /nfs/dbraw/zinc/82/63/35/295826335.db2.gz SULGRPOHMYMCAM-ZDUSSCGKSA-N 2 0 302.447 2.684 20 0 DFADRP C[C@H](CC(=O)Nc1cccc(F)c1)[NH2+][C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000414857138 295826999 /nfs/dbraw/zinc/82/69/99/295826999.db2.gz OYFITJZTHZDWGO-RDBSUJKOSA-N 2 0 307.413 2.521 20 0 DFADRP Cc1cc(CN[C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]23)on1 ZINC000381769916 398660130 /nfs/dbraw/zinc/66/01/30/398660130.db2.gz QWGYFBLCIFVVDL-NZSAHSFTSA-N 2 0 311.429 2.983 20 0 DFADRP CCOC(=O)C(C)(C)CCC[C@@H](C)[NH2+]CC1=CC[N@H+](C)CC1 ZINC000593610974 398661669 /nfs/dbraw/zinc/66/16/69/398661669.db2.gz GLUGBXPPUVAFLJ-OAHLLOKOSA-N 2 0 310.482 2.986 20 0 DFADRP FC(F)(F)c1ccc(-c2n[nH]cc2C[NH2+]C[C@H]2CC[NH2+]C2)cc1 ZINC000414899516 295832320 /nfs/dbraw/zinc/83/23/20/295832320.db2.gz CLJYCHXEDCIRPG-NSHDSACASA-N 2 0 324.350 2.795 20 0 DFADRP CCOc1c(OC)cc(C[NH2+]C[C@]2(C)CCC[NH2+]C2)cc1OC ZINC000414904729 295832849 /nfs/dbraw/zinc/83/28/49/295832849.db2.gz NXAMIKBDKLDVRI-GOSISDBHSA-N 2 0 322.449 2.582 20 0 DFADRP COc1ccc(OC(F)F)c(C[NH2+][C@H]2CCC[C@@H]([NH3+])C2)c1 ZINC000414911247 295833912 /nfs/dbraw/zinc/83/39/12/295833912.db2.gz DQCBMFPKCPBJDG-NEPJUHHUSA-N 2 0 300.349 2.656 20 0 DFADRP [NH3+][C@H]1CCC[C@@H]([NH2+]Cc2ccc(OCC(F)(F)F)cc2)C1 ZINC000414925807 295836126 /nfs/dbraw/zinc/83/61/26/295836126.db2.gz MICHQUJYEBAMEH-QWHCGFSZSA-N 2 0 302.340 2.987 20 0 DFADRP CC[NH+](CC)[C@H](CNC(=O)C1CCC([NH3+])CC1)c1ccccc1 ZINC000390308252 398671740 /nfs/dbraw/zinc/67/17/40/398671740.db2.gz FJBHKAOJAINTPM-DAWZGUTISA-N 2 0 317.477 2.703 20 0 DFADRP Oc1ccc(Br)c(C[NH2+]CCC[C@@H]2CCC[NH2+]2)c1 ZINC000414960293 295841241 /nfs/dbraw/zinc/84/12/41/295841241.db2.gz AMPPVKZKSSZOQH-GFCCVEGCSA-N 2 0 313.239 2.777 20 0 DFADRP COc1ccc(C[NH2+][C@@H]2CC[NH2+]C[C@H]2C)cc1OCC(C)C ZINC000414962189 295841510 /nfs/dbraw/zinc/84/15/10/295841510.db2.gz SEAUEPSKAHSONO-GDBMZVCRSA-N 2 0 306.450 2.818 20 0 DFADRP C[C@H](CC(=O)Nc1cccc(F)c1)[NH2+]CCC[C@H]1CCC[NH2+]1 ZINC000414962297 295841647 /nfs/dbraw/zinc/84/16/47/295841647.db2.gz CERFRDUOQVLCMN-HIFRSBDPSA-N 2 0 307.413 2.665 20 0 DFADRP COc1ccc(C[NH2+][C@H]2CC[NH2+]C[C@H]2C)cc1OCC(C)C ZINC000414962192 295841649 /nfs/dbraw/zinc/84/16/49/295841649.db2.gz SEAUEPSKAHSONO-ZBFHGGJFSA-N 2 0 306.450 2.818 20 0 DFADRP COc1ccc(C[NH2+]CC[C@@H]2CCC[N@H+](C)C2)c(C)c1OC ZINC000459777240 299189345 /nfs/dbraw/zinc/18/93/45/299189345.db2.gz KJCXRINAPSIYFB-HNNXBMFYSA-N 2 0 306.450 2.834 20 0 DFADRP CC1(C)C[NH2+]CC[C@@H]1[NH2+]Cc1ccc(OC[C@@H]2CCCO2)cc1 ZINC000414982094 295843806 /nfs/dbraw/zinc/84/38/06/295843806.db2.gz YIUMUTQCNZZSIO-ROUUACIJSA-N 2 0 318.461 2.722 20 0 DFADRP COCC1(C[NH2+]Cc2ccc(CC(C)C)cc2)CC[NH2+]CC1 ZINC000414975080 295843233 /nfs/dbraw/zinc/84/32/33/295843233.db2.gz NKSJSXYTBVVUIT-UHFFFAOYSA-N 2 0 304.478 2.991 20 0 DFADRP [NH3+][C@H]1CCC[C@@H](C[NH2+]C2CCN(Cc3ccccc3)CC2)C1 ZINC000414992528 295844658 /nfs/dbraw/zinc/84/46/58/295844658.db2.gz BUHUQYTZBBLNJS-MSOLQXFVSA-N 2 0 301.478 2.758 20 0 DFADRP [NH3+][C@H]1CCC[C@H](C[NH2+]C2CCN(Cc3ccccc3)CC2)C1 ZINC000414992539 295844765 /nfs/dbraw/zinc/84/47/65/295844765.db2.gz BUHUQYTZBBLNJS-ROUUACIJSA-N 2 0 301.478 2.758 20 0 DFADRP [NH3+][C@@H]1CCC[C@@H](C[NH2+]Cc2cnc(-c3ccccn3)s2)C1 ZINC000414985945 295844077 /nfs/dbraw/zinc/84/40/77/295844077.db2.gz BWQPTUWBGGGJBI-CHWSQXEVSA-N 2 0 302.447 2.812 20 0 DFADRP CC(C)n1ncc2cc(C[NH2+]C[C@H]3CCC[C@@H]([NH3+])C3)cnc21 ZINC000414988296 295844307 /nfs/dbraw/zinc/84/43/07/295844307.db2.gz FMTVPPSKWLBEQJ-XJKSGUPXSA-N 2 0 301.438 2.619 20 0 DFADRP CCOC[C@H](C)[NH2+]Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000681698348 545701245 /nfs/dbraw/zinc/70/12/45/545701245.db2.gz WSTQELFNZUVJKH-INIZCTEOSA-N 2 0 306.450 2.676 20 0 DFADRP C[C@@H]1CCc2nc(C[NH2+][C@@H]3C[C@H]3C3CC[NH2+]CC3)sc2C1 ZINC000415007086 295846790 /nfs/dbraw/zinc/84/67/90/295846790.db2.gz LDYNEHDLPJZXHH-OSAQELSMSA-N 2 0 305.491 2.746 20 0 DFADRP CCC[NH+]1CCC(NCCC[N@H+](C)Cc2ccccc2)CC1 ZINC000102548584 398678720 /nfs/dbraw/zinc/67/87/20/398678720.db2.gz PVXJJTBPFFQXPM-UHFFFAOYSA-N 2 0 303.494 2.973 20 0 DFADRP CSc1cc2c(cc1C[NH2+][C@H](C)CCCC[NH3+])OCCO2 ZINC000415020821 295847949 /nfs/dbraw/zinc/84/79/49/295847949.db2.gz XRLRBYUKPHMZGI-GFCCVEGCSA-N 2 0 310.463 2.787 20 0 DFADRP Cc1ccccc1NC(=O)C[C@H](C)[NH2+]C[C@H]1CCC[C@@H]([NH3+])C1 ZINC000415012471 295847354 /nfs/dbraw/zinc/84/73/54/295847354.db2.gz XIEOAGQFSPGSFK-HRCADAONSA-N 2 0 303.450 2.819 20 0 DFADRP C[C@H](CCC[NH3+])[NH2+]Cc1csc(COc2ccccc2)n1 ZINC000415025933 295848292 /nfs/dbraw/zinc/84/82/92/295848292.db2.gz SBJSNYUPKDSZBC-CYBMUJFWSA-N 2 0 305.447 2.939 20 0 DFADRP COc1sc(C[NH2+][C@@H]2CC[C@@H](C[NH3+])C2)cc1Br ZINC000415027732 295848588 /nfs/dbraw/zinc/84/85/88/295848588.db2.gz BKNIFKDSEUZYEO-RKDXNWHRSA-N 2 0 319.268 2.736 20 0 DFADRP [NH3+]C[C@@H]1CC[C@H]([NH2+]Cc2c[nH]nc2-c2ccc(Cl)cc2)C1 ZINC000415037011 295849738 /nfs/dbraw/zinc/84/97/38/295849738.db2.gz LVLDJXUEPCTLEK-ABAIWWIYSA-N 2 0 304.825 2.947 20 0 DFADRP [NH3+]C[C@@H]1CC[C@@H]([NH2+]Cc2c(F)ccc(Br)c2F)C1 ZINC000415038886 295849836 /nfs/dbraw/zinc/84/98/36/295849836.db2.gz NUDXPQLTXHBWRE-RKDXNWHRSA-N 2 0 319.193 2.944 20 0 DFADRP CO[C@@H]1C[C@@H]([NH2+]C2CCN(c3cc[nH+]cc3)CC2)C12CCC2 ZINC000459794940 299194998 /nfs/dbraw/zinc/19/49/98/299194998.db2.gz VBTOSAVNYWQTJG-IAGOWNOFSA-N 2 0 301.434 2.598 20 0 DFADRP [NH3+]CC1CCC([NH2+]Cc2ccnc(OCC(F)(F)F)c2)CC1 ZINC000415074971 295854679 /nfs/dbraw/zinc/85/46/79/295854679.db2.gz DHFJGTYXNKFABG-UHFFFAOYSA-N 2 0 317.355 2.630 20 0 DFADRP Cn1ccc([C@H]([NH2+]C2CCC(C[NH3+])CC2)c2ccc(F)cc2)n1 ZINC000415076853 295855092 /nfs/dbraw/zinc/85/50/92/295855092.db2.gz GSXOHNNPCIIOEB-PVCYVWKFSA-N 2 0 316.424 2.756 20 0 DFADRP FC(F)(F)Oc1ccccc1CC[NH2+]C[C@@H]1CCC[NH2+]C1 ZINC000415079997 295855686 /nfs/dbraw/zinc/85/56/86/295855686.db2.gz IOWUTGAAXNWNRI-GFCCVEGCSA-N 2 0 302.340 2.717 20 0 DFADRP COc1cccc(C[NH+]2CCC(OCC[NH+]3CCCC3)CC2)c1 ZINC000173960209 198272991 /nfs/dbraw/zinc/27/29/91/198272991.db2.gz DRJVFIZJQOOSTE-UHFFFAOYSA-N 2 0 318.461 2.772 20 0 DFADRP c1ccc(C[NH+]2CCCCCC2)c(C[NH2+]C2CC[NH2+]CC2)c1 ZINC000415094739 295857376 /nfs/dbraw/zinc/85/73/76/295857376.db2.gz YARNFBHTYZMZHD-UHFFFAOYSA-N 3 0 301.478 2.904 20 0 DFADRP C[N@@H+]1CCCN(CCC[NH2+]Cc2ccc(Cl)c(F)c2)CC1 ZINC000105476429 398693765 /nfs/dbraw/zinc/69/37/65/398693765.db2.gz IVMWEBYWNCPOGW-UHFFFAOYSA-N 2 0 313.848 2.596 20 0 DFADRP Cc1ccc(CCC[NH+]2CCC([C@H]3OCCC[C@@H]3[NH3+])CC2)cn1 ZINC000415106851 295858925 /nfs/dbraw/zinc/85/89/25/295858925.db2.gz JZBPJSIOBIBCLB-RBUKOAKNSA-N 2 0 317.477 2.541 20 0 DFADRP Fc1ccc(CN2CCC([NH2+][C@H]3CCC[NH2+]CC3)CC2)cc1F ZINC000415103524 295858451 /nfs/dbraw/zinc/85/84/51/295858451.db2.gz KMNJMIJQCZQMJB-HNNXBMFYSA-N 2 0 323.431 2.661 20 0 DFADRP C[C@H]1C[C@H](C[NH2+]Cc2cccc(NC(=O)C3CCC3)c2)CC[NH2+]1 ZINC000415104900 295858675 /nfs/dbraw/zinc/85/86/75/295858675.db2.gz LSUYXKUBMCYDQO-GOEBONIOSA-N 2 0 315.461 2.903 20 0 DFADRP Cc1ccc(CCC[NH+]2CCC([C@@H]3C[C@@H]([NH3+])CCO3)CC2)cn1 ZINC000415130010 295862351 /nfs/dbraw/zinc/86/23/51/295862351.db2.gz WEXJEZPRZOHVLE-OALUTQOASA-N 2 0 317.477 2.541 20 0 DFADRP CC[N@@H+]1CC[C@@H](N(C)C(=O)c2cccc(C[NH+](C)C)c2)[C@H](C)C1 ZINC000073949164 398711986 /nfs/dbraw/zinc/71/19/86/398711986.db2.gz GOFTUMCIJPOCHD-CRAIPNDOSA-N 2 0 317.477 2.551 20 0 DFADRP CC(C)c1nc([C@H](C)[NH2+]CC(C)(C)N2CC[NH+](C)CC2)cs1 ZINC000681107648 545597548 /nfs/dbraw/zinc/59/75/48/545597548.db2.gz XSHSJHMSEZZNQH-AWEZNQCLSA-N 2 0 324.538 2.943 20 0 DFADRP CCC[NH+]1CCC(N(C)C(=O)[C@H](C)[C@H]([NH3+])c2ccccc2)CC1 ZINC000236774795 202002531 /nfs/dbraw/zinc/00/25/31/202002531.db2.gz JZVLRGCIBLVUTB-QAPCUYQASA-N 2 0 317.477 2.655 20 0 DFADRP COC1(C[NH2+]Cc2ccccc2C[N@H+](C)C(C)C)CCOCC1 ZINC000277040659 213256818 /nfs/dbraw/zinc/25/68/18/213256818.db2.gz PCZHQIMNFSUIDJ-UHFFFAOYSA-N 2 0 320.477 2.812 20 0 DFADRP CC[NH+]1CCN(CCC[NH2+][C@@H]2CCC[C@@H](C(F)(F)F)C2)CC1 ZINC000129277112 283009056 /nfs/dbraw/zinc/00/90/56/283009056.db2.gz HLSUTNSRUDRCHA-HUUCEWRRSA-N 2 0 321.431 2.725 20 0 DFADRP CC[NH+]1CCN([C@H](C)C[NH2+][C@H]2CC[C@H](c3ccccc3)C2)CC1 ZINC000130495495 283050748 /nfs/dbraw/zinc/05/07/48/283050748.db2.gz JKEXUKSCNGBDNZ-HOJAQTOUSA-N 2 0 315.505 2.938 20 0 DFADRP C[C@@H]([NH3+])[C@@H]1CCCCN1C(=O)Nc1ccccc1CC[NH+](C)C ZINC000415569863 295891511 /nfs/dbraw/zinc/89/15/11/295891511.db2.gz LLHQKVSWAVNDSO-PBHICJAKSA-N 2 0 318.465 2.524 20 0 DFADRP C[C@@H](C(=O)NCCCC[NH+]1CCC(C)CC1)[NH+]1CCCCCC1 ZINC000074220605 398731873 /nfs/dbraw/zinc/73/18/73/398731873.db2.gz QEJAFBSQOIMSEF-SFHVURJKSA-N 2 0 323.525 2.879 20 0 DFADRP CC[NH+](CC)[C@@H](CNC(=O)C(CC)(CC)C[NH3+])c1ccccc1 ZINC000236818032 202024251 /nfs/dbraw/zinc/02/42/51/202024251.db2.gz KNZUQRVSLBRJOO-KRWDZBQOSA-N 2 0 319.493 2.951 20 0 DFADRP CCCN(CCC[NH+](C)C)C(=O)Nc1cccc(C[NH2+]CC)c1 ZINC000415911555 295900952 /nfs/dbraw/zinc/90/09/52/295900952.db2.gz DOQKQTXZJCUXBI-UHFFFAOYSA-N 2 0 320.481 2.992 20 0 DFADRP CC[NH2+]Cc1cccc(NC(=O)N2CC[C@@H]([NH+](CC)CC)C2)c1 ZINC000415903372 295900189 /nfs/dbraw/zinc/90/01/89/295900189.db2.gz DUWJCIKZOKSJRL-QGZVFWFLSA-N 2 0 318.465 2.744 20 0 DFADRP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](CCCc2cnn(C)c2)C1 ZINC000113934393 398742086 /nfs/dbraw/zinc/74/20/86/398742086.db2.gz SNKXFNKLYGGWDK-IEBWSBKVSA-N 2 0 318.509 2.939 20 0 DFADRP CCCN(CCC[NH+](C)C)C(=O)Nc1ccccc1C[NH2+]C ZINC000415921668 295902385 /nfs/dbraw/zinc/90/23/85/295902385.db2.gz MNIIWZGPBPNDRR-UHFFFAOYSA-N 2 0 306.454 2.602 20 0 DFADRP CC[NH2+]Cc1cccc(NC(=O)NC2CC[NH+](C(C)C)CC2)c1 ZINC000415934693 295903974 /nfs/dbraw/zinc/90/39/74/295903974.db2.gz QJNJNDIVSLXQHT-UHFFFAOYSA-N 2 0 318.465 2.790 20 0 DFADRP C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CCC[N@H+](CCn2ccnc2)C1 ZINC000132066451 283109151 /nfs/dbraw/zinc/10/91/51/283109151.db2.gz TVPFOVOQMBNWCQ-HUUCEWRRSA-N 2 0 322.453 2.508 20 0 DFADRP CC1CC[NH+](C[C@H](O)C[NH2+]CCCCOc2ccccc2)CC1 ZINC000438200351 297084343 /nfs/dbraw/zinc/08/43/43/297084343.db2.gz JPFMFJATGRBJBB-GOSISDBHSA-N 2 0 320.477 2.528 20 0 DFADRP CC[NH+]1CCC(NC(=O)C[N@H+](CC(C)C)CC(C)(C)C)CC1 ZINC000134448359 283186951 /nfs/dbraw/zinc/18/69/51/283186951.db2.gz UGDPOVPUNWVGIQ-UHFFFAOYSA-N 2 0 311.514 2.591 20 0 DFADRP CC[C@H](C)[C@@H]([NH3+])C(=O)Nc1cccc(CC[NH+]2CCCC2)c1 ZINC000236914718 202069396 /nfs/dbraw/zinc/06/93/96/202069396.db2.gz UCWPVIZREFLWJN-WMLDXEAASA-N 2 0 303.450 2.637 20 0 DFADRP CC[NH+]1CCC(NC2CC[NH+](CCc3ccccc3)CC2)CC1 ZINC000236917613 202069693 /nfs/dbraw/zinc/06/96/93/202069693.db2.gz SIYONFXMFHDMBB-UHFFFAOYSA-N 2 0 315.505 2.767 20 0 DFADRP CC[C@H](C)[C@H]([NH3+])C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000236917707 202071251 /nfs/dbraw/zinc/07/12/51/202071251.db2.gz WIUQGLOXSRNGRW-LAQRGFTBSA-N 2 0 317.477 2.529 20 0 DFADRP CC[C@@H](C)[C@@H]([NH3+])C(=O)Nc1ccc(OCC[NH+](CC)CC)cc1 ZINC000237007323 202118079 /nfs/dbraw/zinc/11/80/79/202118079.db2.gz FJQIGXUFUHENTL-RHSMWYFYSA-N 2 0 321.465 2.719 20 0 DFADRP CC[C@H](C)[C@H]([NH3+])C(=O)NC[C@H](c1ccc(C)cc1)[NH+]1CCCC1 ZINC000237037710 202130267 /nfs/dbraw/zinc/13/02/67/202130267.db2.gz SKDHOPPFXJTJKW-JQHSSLGASA-N 2 0 317.477 2.622 20 0 DFADRP CC[C@H](C)[C@H]([NH3+])C(=O)NC[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000237045322 202134520 /nfs/dbraw/zinc/13/45/20/202134520.db2.gz KGINKHUPNQRKQA-JQHSSLGASA-N 2 0 317.477 2.531 20 0 DFADRP CCC[NH+](CCC)CCCC(=O)N(C)[C@@H]1CC[N@H+](C)C[C@@H]1C ZINC000126082699 283208189 /nfs/dbraw/zinc/20/81/89/283208189.db2.gz YZJAWRLVFUQBHU-DLBZAZTESA-N 2 0 311.514 2.687 20 0 DFADRP C/C(=C\c1ccccc1)C[NH2+]C1CCN(CC[NH+](C)C)CC1 ZINC000237158333 202169615 /nfs/dbraw/zinc/16/96/15/202169615.db2.gz ZNUPVBBTIQNZCP-BMRADRMJSA-N 2 0 301.478 2.706 20 0 DFADRP C[NH2+]CCCC(=O)NCC1([NH2+][C@H](C)c2ccccc2)CCCC1 ZINC000237156926 202170550 /nfs/dbraw/zinc/17/05/50/202170550.db2.gz OVIIYCSSMXPOQT-MRXNPFEDSA-N 2 0 317.477 2.766 20 0 DFADRP C[NH+](C)Cc1ccc(C(=O)NCC(C)(C)C[NH+]2CCCC2)cc1 ZINC000276873860 213146851 /nfs/dbraw/zinc/14/68/51/213146851.db2.gz OESKBAMYILNDTL-UHFFFAOYSA-N 2 0 317.477 2.600 20 0 DFADRP CCCN(CC[NH+]1CCCC1)C(=O)c1ccc(C[NH+](C)C)cc1 ZINC000287597598 219614853 /nfs/dbraw/zinc/61/48/53/219614853.db2.gz YEJCNNHHEPVFOI-UHFFFAOYSA-N 2 0 317.477 2.696 20 0 DFADRP COC(=O)c1ccc2c(c1)[C@H]([NH2+]C[C@H]1CCC[N@H+](C)C1)CCC2 ZINC000594494470 398809040 /nfs/dbraw/zinc/80/90/40/398809040.db2.gz GOAUKYYGCARXBA-RDTXWAMCSA-N 2 0 316.445 2.782 20 0 DFADRP CC(C)[C@@H](CCc1ccccc1)[NH2+]CC1CC[NH+](CCO)CC1 ZINC000151865501 283299304 /nfs/dbraw/zinc/29/93/04/283299304.db2.gz FVKWABKLZHLVJY-HXUWFJFHSA-N 2 0 318.505 2.938 20 0 DFADRP C[C@@H](CN1CCCCC1)[NH2+]Cc1ccc(OCC[NH+](C)C)cc1 ZINC000075802295 398822226 /nfs/dbraw/zinc/82/22/26/398822226.db2.gz LSACZZDGDAZXGD-KRWDZBQOSA-N 2 0 319.493 2.591 20 0 DFADRP C[C@H](CN1CCCCC1)[NH2+]Cc1ccc(OCC[NH+](C)C)cc1 ZINC000075802296 398822499 /nfs/dbraw/zinc/82/24/99/398822499.db2.gz LSACZZDGDAZXGD-QGZVFWFLSA-N 2 0 319.493 2.591 20 0 DFADRP Cc1ccc(F)cc1C[NH+]1CCC(C[NH+]2CCOCC2)CC1 ZINC000179931914 199096152 /nfs/dbraw/zinc/09/61/52/199096152.db2.gz OOUWCLNDKPWOME-UHFFFAOYSA-N 2 0 306.425 2.678 20 0 DFADRP CCCC[N@H+](C)CC1CC[NH+](CC(=O)NC(C)(C)CC)CC1 ZINC000052208925 398835903 /nfs/dbraw/zinc/83/59/03/398835903.db2.gz LDZCGNHGYWBNNA-UHFFFAOYSA-N 2 0 311.514 2.735 20 0 DFADRP C[C@H]([NH2+]CCOCC(F)F)c1cccc(OCC[NH+](C)C)c1 ZINC000276681742 213043540 /nfs/dbraw/zinc/04/35/40/213043540.db2.gz QRHUFKAQTXDYKR-ZDUSSCGKSA-N 2 0 316.392 2.559 20 0 DFADRP C[C@H](C(=O)N(C)CC[C@@H]1CCCC[N@@H+]1C)[C@@H]([NH3+])c1ccccc1 ZINC000237395967 202253106 /nfs/dbraw/zinc/25/31/06/202253106.db2.gz XKMGCYIECDJXHE-RYQLBKOJSA-N 2 0 317.477 2.655 20 0 DFADRP CC[NH+](CC)Cc1ccc(C[NH2+][C@H](C)[C@@H]2C[C@H]2C(=O)OC)cc1 ZINC000594921836 398871476 /nfs/dbraw/zinc/87/14/76/398871476.db2.gz UPLPRVGJMBBYPO-FHLIZLRMSA-N 2 0 318.461 2.816 20 0 DFADRP CC[NH+](CC)Cc1ccccc1C[NH2+][C@H](C)[C@H]1C[C@@H]1C(=O)OC ZINC000594920161 398871662 /nfs/dbraw/zinc/87/16/62/398871662.db2.gz SIOZMPYAMMSMRV-OLMNPRSZSA-N 2 0 318.461 2.816 20 0 DFADRP COC(=O)[C@@H]1C[C@@H]1[C@H](C)[NH2+]C1CCC([NH+]2CCC(C)CC2)CC1 ZINC000594934698 398875451 /nfs/dbraw/zinc/87/54/51/398875451.db2.gz FGZVWZTWAPRIFM-VVLHZNOGSA-N 2 0 322.493 2.817 20 0 DFADRP CC1(C)CC(NC(=O)N[C@H](C[NH3+])C2CCCCC2)CC(C)(C)[NH2+]1 ZINC000416792912 295972490 /nfs/dbraw/zinc/97/24/90/295972490.db2.gz MQGHTDXEEAEBPT-OAHLLOKOSA-N 2 0 324.513 2.502 20 0 DFADRP C[C@@H](c1cccc(F)c1)[N@H+](C)CCN(C)C1CC[NH+](C)CC1 ZINC000180945269 199232325 /nfs/dbraw/zinc/23/23/25/199232325.db2.gz KHAPVDDTXKETCK-HNNXBMFYSA-N 2 0 307.457 2.845 20 0 DFADRP C[C@H]([NH2+]CC1(O)CC[NH+](C)CC1)c1ccc(OC(C)(C)C)cc1 ZINC000274327794 299283876 /nfs/dbraw/zinc/28/38/76/299283876.db2.gz YZOFYWODVWKXEZ-HNNXBMFYSA-N 2 0 320.477 2.971 20 0 DFADRP C[C@H]([NH2+]CCCC[NH+]1C[C@@H](C)O[C@H](C)C1)c1cncc(F)c1 ZINC000178039392 299290115 /nfs/dbraw/zinc/29/01/15/299290115.db2.gz UOVULTHNAVFXGU-KFWWJZLASA-N 2 0 309.429 2.761 20 0 DFADRP C[C@H]([NH2+]CCCC[NH+]1C[C@@H](C)O[C@H](C)C1)C1CCSCC1 ZINC000187101138 299289790 /nfs/dbraw/zinc/28/97/90/299289790.db2.gz FYKVXWGFWMCCDS-OAGGEKHMSA-N 2 0 314.539 2.997 20 0 DFADRP C[C@H]([NH2+]CCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1)C1CCSCC1 ZINC000187101102 299290303 /nfs/dbraw/zinc/29/03/03/299290303.db2.gz FYKVXWGFWMCCDS-XHSDSOJGSA-N 2 0 314.539 2.997 20 0 DFADRP COC(=O)CC(C)(C)C[C@@H](C)[NH2+]Cc1ccc2c[nH+]cn2c1 ZINC000595050703 398898305 /nfs/dbraw/zinc/89/83/05/398898305.db2.gz JDQZSMUGWWLMEK-CYBMUJFWSA-N 2 0 303.406 2.792 20 0 DFADRP CC[N@@H+]1CC[C@H]([NH+](C)CCc2ccccc2C(=O)OC)[C@H](C)C1 ZINC000187268934 200085594 /nfs/dbraw/zinc/08/55/94/200085594.db2.gz YJTHXAXCOWRMDH-QAPCUYQASA-N 2 0 318.461 2.678 20 0 DFADRP C[C@H](C(=O)NCC[NH2+]C1CCCCCC1)[C@@H]([NH3+])c1ccccc1 ZINC000237436279 202265968 /nfs/dbraw/zinc/26/59/68/202265968.db2.gz YWOSDECRYGDDSU-MAUKXSAKSA-N 2 0 317.477 2.751 20 0 DFADRP CN(CC1([NH+](C)C)CCC1)C(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000187552810 200127529 /nfs/dbraw/zinc/12/75/29/200127529.db2.gz IQYULDMCXKJKEQ-UHFFFAOYSA-N 2 0 318.465 2.696 20 0 DFADRP C[NH+]1CCC(CC[NH2+]Cc2ccc(Br)o2)CC1 ZINC000187572766 200129433 /nfs/dbraw/zinc/12/94/33/200129433.db2.gz QWNNWFIBPKZWME-UHFFFAOYSA-N 2 0 301.228 2.864 20 0 DFADRP COC(=O)CC1CCC([NH2+]CC2(C[NH+](C)C)CCCC2)CC1 ZINC000599045250 398912093 /nfs/dbraw/zinc/91/20/93/398912093.db2.gz YQFFDOCDUFQCOI-UHFFFAOYSA-N 2 0 310.482 2.820 20 0 DFADRP CSC[C@H](O)C[NH+]1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC000187808994 200159935 /nfs/dbraw/zinc/15/99/35/200159935.db2.gz HWFLDISAGBYWOK-GOSISDBHSA-N 2 0 322.518 2.554 20 0 DFADRP C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)CCC2CC[NH2+]CC2)C1 ZINC000237545214 202278356 /nfs/dbraw/zinc/27/83/56/202278356.db2.gz OWPLOWZTAXZHRM-HZPDHXFCSA-N 2 0 323.525 2.639 20 0 DFADRP C[C@H](CC(=O)NCCCC[N@@H+]1CCCC[C@@H]1C)[C@@H]1CCC[NH2+]C1 ZINC000237618944 202307475 /nfs/dbraw/zinc/30/74/75/202307475.db2.gz ACZUPOUKTQVOAE-FGTMMUONSA-N 2 0 323.525 2.783 20 0 DFADRP C[C@H]1C[C@H]1c1ccc(C[NH2+]C2CCN(CC[NH+](C)C)CC2)o1 ZINC000237658385 202320171 /nfs/dbraw/zinc/32/01/71/202320171.db2.gz HOMQMWMYTDNSHW-WMLDXEAASA-N 2 0 305.466 2.519 20 0 DFADRP [NH3+][C@@H]1CCC[C@H](C(=O)Nc2ccc(CC[NH+]3CCCC3)cc2)C1 ZINC000237905112 202386186 /nfs/dbraw/zinc/38/61/86/202386186.db2.gz OCGSVNZGCJBWPB-DLBZAZTESA-N 2 0 315.461 2.781 20 0 DFADRP [NH3+][C@H]1CCC[C@@H](C(=O)Nc2ccc(CC[NH+]3CCCC3)cc2)C1 ZINC000238024344 202420674 /nfs/dbraw/zinc/42/06/74/202420674.db2.gz OCGSVNZGCJBWPB-SJORKVTESA-N 2 0 315.461 2.781 20 0 DFADRP C[C@H](C[NH2+][C@H](C)[C@@H]1C[C@H]1c1cccs1)CN1CC[NH+](C)CC1 ZINC000417318640 296009497 /nfs/dbraw/zinc/00/94/97/296009497.db2.gz ZJJWEKNSIGRXAD-WCXIOVBPSA-N 2 0 321.534 2.713 20 0 DFADRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+][C@H](C)[C@@H]1C[C@H]1c1cccs1 ZINC000417347772 296012444 /nfs/dbraw/zinc/01/24/44/296012444.db2.gz WSXDRGIXXSPUEK-WCXIOVBPSA-N 2 0 321.534 2.856 20 0 DFADRP Cn1cc(C[N@@H+]2CCCC[C@@H]2[C@@H](C[NH3+])Cc2ccccc2)cn1 ZINC000471837067 299309235 /nfs/dbraw/zinc/30/92/35/299309235.db2.gz YTISLVYDBJCKFS-RTBURBONSA-N 2 0 312.461 2.592 20 0 DFADRP COCC[N@H+](C)CCC[NH2+][C@H](C)c1ccc(OC)c(Cl)c1 ZINC000153748498 398936971 /nfs/dbraw/zinc/93/69/71/398936971.db2.gz CQVDYDXGMVUVRK-CYBMUJFWSA-N 2 0 314.857 2.968 20 0 DFADRP COc1cc2c(cc1F)CC[C@H]2[NH2+]C[C@H]1CC[N@@H+](C2CC2)C1 ZINC000281239592 216176247 /nfs/dbraw/zinc/17/62/47/216176247.db2.gz NDIJJWLCFQTZOB-SJKOYZFVSA-N 2 0 304.409 2.896 20 0 DFADRP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NCC1([NH+](C)C)CC1 ZINC000417387002 296015662 /nfs/dbraw/zinc/01/56/62/296015662.db2.gz TVZQSUJLTYIXTM-WMZOPIPTSA-N 2 0 301.478 2.581 20 0 DFADRP [NH3+]C[C@H](Cc1ccccc1)[C@H]1CCCC[N@@H+]1C[C@@H]1CCOC1 ZINC000471872719 299311659 /nfs/dbraw/zinc/31/16/59/299311659.db2.gz RALMXKHWTURQFE-GBESFXJTSA-N 2 0 302.462 2.695 20 0 DFADRP C[C@@H]([NH3+])[C@@H](C)C(=O)NC[C@@H](c1ccccc1)[NH+]1CCC(C)CC1 ZINC000192100613 296021748 /nfs/dbraw/zinc/02/17/48/296021748.db2.gz DIRNCPWXEYFZOT-NUJGCVRESA-N 2 0 317.477 2.559 20 0 DFADRP C[C@@H]([NH3+])CCC(=O)Nc1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000193295552 201023477 /nfs/dbraw/zinc/02/34/77/201023477.db2.gz ZQZULLMBFGRZCN-LSDHHAIUSA-N 2 0 303.450 2.984 20 0 DFADRP C[C@@H](CCC[NH3+])NC(=O)NCC(C)(C)[NH2+][C@@H](C)c1ccccc1 ZINC000417621238 296036121 /nfs/dbraw/zinc/03/61/21/296036121.db2.gz HBKKEPQTQSIEAF-GJZGRUSLSA-N 2 0 320.481 2.542 20 0 DFADRP O[C@H]1CC[C@H](C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC000193349141 201036146 /nfs/dbraw/zinc/03/61/46/201036146.db2.gz UVUYSVDQSNTNHD-BGVWBIDGSA-N 2 0 314.473 2.933 20 0 DFADRP Cc1cccn2cc(C[NH+]3CCC(CC[NH+](C)C)CC3)nc12 ZINC000056522989 398976255 /nfs/dbraw/zinc/97/62/55/398976255.db2.gz JFCJKAJLMVEHBX-UHFFFAOYSA-N 2 0 300.450 2.806 20 0 DFADRP CC[C@H]1CCCCN1C(=O)[C@@H](C)[NH+]1CCC(CC[NH+](C)C)CC1 ZINC000056524629 398977769 /nfs/dbraw/zinc/97/77/69/398977769.db2.gz XDUDSNGNMCMXMS-AEFFLSMTSA-N 2 0 323.525 2.830 20 0 DFADRP CC[C@@H]1CCCCN1C(=O)[C@H](C)[NH+]1CCC(CC[NH+](C)C)CC1 ZINC000056524631 398978138 /nfs/dbraw/zinc/97/81/38/398978138.db2.gz XDUDSNGNMCMXMS-FUHWJXTLSA-N 2 0 323.525 2.830 20 0 DFADRP c1ccc(NCCCC[NH2+][C@H]2[C@H]3CCO[C@H]3C23CCC3)nc1 ZINC000194020120 201164195 /nfs/dbraw/zinc/16/41/95/201164195.db2.gz ULDFSWNDECDEAS-HYVNUMGLSA-N 2 0 301.434 2.821 20 0 DFADRP C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)NCCCCC[NH+]1CCCCC1 ZINC000417720219 296043876 /nfs/dbraw/zinc/04/38/76/296043876.db2.gz XKSVSCZQDRKCHH-IRXDYDNUSA-N 2 0 324.513 2.554 20 0 DFADRP Cc1ccc(C)c(NC(=O)CN2CC[C@@]3(C2)CCC[N@@H+](C)C3)c1 ZINC000292881415 223290208 /nfs/dbraw/zinc/29/02/08/223290208.db2.gz FACFNJZCZQRYBJ-IBGZPJMESA-N 2 0 315.461 2.660 20 0 DFADRP Cc1nn2c(C[NH2+]CCCCC[NH+]3CCCC3)c(C)nc2s1 ZINC000292889356 223294353 /nfs/dbraw/zinc/29/43/53/223294353.db2.gz CVAWULBAMLTVAH-UHFFFAOYSA-N 2 0 321.494 2.763 20 0 DFADRP CCc1cccc(F)c1C[NH2+]C[C@H](C(C)C)N1CC[NH+](C)CC1 ZINC000474474806 299337341 /nfs/dbraw/zinc/33/73/41/299337341.db2.gz UPGYVKQQTISHBD-LJQANCHMSA-N 2 0 321.484 2.750 20 0 DFADRP CC(C)[C@@H]([NH3+])CCN(C)C(=O)NCCC[NH+](C(C)C)C(C)C ZINC000417805217 296052917 /nfs/dbraw/zinc/05/29/17/296052917.db2.gz YHZWXCZQMSBFMU-INIZCTEOSA-N 2 0 314.518 2.510 20 0 DFADRP Cc1ccc(NC(=O)C[C@@H](C)[NH2+]CC2=CC[N@H+](C)CC2)c(C)c1 ZINC000271842312 209260151 /nfs/dbraw/zinc/26/01/51/209260151.db2.gz GXKCYGIVTOLKJN-MRXNPFEDSA-N 2 0 315.461 2.872 20 0 DFADRP CC(C)(C(=O)NCC1([NH3+])CCCCCC1)[C@H]([NH3+])c1ccccc1 ZINC000417815103 296054065 /nfs/dbraw/zinc/05/40/65/296054065.db2.gz RCNLHNKVJAKIFY-MRXNPFEDSA-N 2 0 317.477 2.881 20 0 DFADRP CC(C)(CCC[NH3+])NC(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000417815239 296054165 /nfs/dbraw/zinc/05/41/65/296054165.db2.gz SSXSRIMEIDIDAG-UHFFFAOYSA-N 2 0 324.513 2.600 20 0 DFADRP C[NH+](C)CCc1ccc(NC(=O)CC[C@H]2CCC[NH2+]C2)cc1 ZINC000621644328 399007400 /nfs/dbraw/zinc/00/74/00/399007400.db2.gz UPVZWSYNRFBGRQ-MRXNPFEDSA-N 2 0 303.450 2.509 20 0 DFADRP CCn1cncc1C[NH2+]CC1CC[NH+](Cc2cccs2)CC1 ZINC000417884376 296060778 /nfs/dbraw/zinc/06/07/78/296060778.db2.gz GABTVZITRNOVCX-UHFFFAOYSA-N 2 0 318.490 2.966 20 0 DFADRP CC(C)CC[NH+]1CCC(CNC(=O)CC[C@H]2CCC[NH2+]C2)CC1 ZINC000621651073 399009118 /nfs/dbraw/zinc/00/91/18/399009118.db2.gz GWUWPWWXPKNRSB-QGZVFWFLSA-N 2 0 323.525 2.641 20 0 DFADRP CC(C)[C@H]1CCCC[C@H]1[NH2+]CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000475154700 299344698 /nfs/dbraw/zinc/34/46/98/299344698.db2.gz FEIGDCRUICGJPD-QZTJIDSGSA-N 2 0 321.509 2.534 20 0 DFADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)CC1CCCCC1 ZINC000057157415 399020327 /nfs/dbraw/zinc/02/03/27/399020327.db2.gz GCDKLEHPOYESBG-UHFFFAOYSA-N 2 0 311.514 2.689 20 0 DFADRP C[C@](O)(C[NH+]1CCC(C[NH+]2CCCC2)CC1)c1ccccc1 ZINC000171138588 291340796 /nfs/dbraw/zinc/34/07/96/291340796.db2.gz MEJWTNXQHBTPEL-IBGZPJMESA-N 2 0 302.462 2.702 20 0 DFADRP CC[C@@H](C[NH+]1CCCC1)NC(=O)c1ccc(C[NH+](CC)CC)o1 ZINC000605520453 399029187 /nfs/dbraw/zinc/02/91/87/399029187.db2.gz YQFUOQGCBAEBJT-HNNXBMFYSA-N 2 0 321.465 2.726 20 0 DFADRP CC(C)[C@H]([NH2+]C[C@@H](C)CN1CC[NH+](C)CC1)c1ccccc1 ZINC000091320533 193039811 /nfs/dbraw/zinc/03/98/11/193039811.db2.gz PKWOFWXHUJRBIH-MJGOQNOKSA-N 2 0 303.494 2.857 20 0 DFADRP COC(=O)C[C@@H]1CC[C@H]([NH2+]C2CC[NH+](C3CCCC3)CC2)[C@H]1C ZINC000373391404 283856736 /nfs/dbraw/zinc/85/67/36/283856736.db2.gz VSJMTVFLLOTACO-MPGHIAIKSA-N 2 0 322.493 2.961 20 0 DFADRP CC(C)(CCC[NH3+])NC(=O)NC[C@@H]1CCC[N@@H+]1C1CCCCC1 ZINC000418129910 296080119 /nfs/dbraw/zinc/08/01/19/296080119.db2.gz FDMBOVLBUGRQLA-INIZCTEOSA-N 2 0 324.513 2.600 20 0 DFADRP COCCOc1cccc(C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)c1 ZINC000092043169 193145751 /nfs/dbraw/zinc/14/57/51/193145751.db2.gz ATOXQKVUDXBLKQ-MJGOQNOKSA-N 2 0 318.461 2.628 20 0 DFADRP CCCC[C@@H](C[NH3+])NC(=O)NC[C@@H]([NH3+])c1ccc(C(C)C)cc1 ZINC000418359734 296088317 /nfs/dbraw/zinc/08/83/17/296088317.db2.gz SHBMJFPKMLNVCQ-DLBZAZTESA-N 2 0 320.481 2.627 20 0 DFADRP C[C@@H]([NH3+])[C@@H](C)C(=O)Nc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000249107571 202788178 /nfs/dbraw/zinc/78/81/78/202788178.db2.gz VPJFXNZMYINOOU-RBSFLKMASA-N 2 0 303.450 2.840 20 0 DFADRP CC[C@@H](COC)[NH2+]CCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000271783237 209211168 /nfs/dbraw/zinc/21/11/68/209211168.db2.gz LWPQMRGEPKKZKE-SFHVURJKSA-N 2 0 320.477 2.718 20 0 DFADRP C[C@@H](NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)[C@H](c1ccccc1)[NH+](C)C ZINC000290679898 296101544 /nfs/dbraw/zinc/10/15/44/296101544.db2.gz HRXFRWYECGELJL-CIRFHOKZSA-N 2 0 317.477 2.524 20 0 DFADRP C[C@@H]([NH2+][C@H]1CC[C@@H](CO)C1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000295083767 284019835 /nfs/dbraw/zinc/01/98/35/284019835.db2.gz QRGHAAJNVVGIAL-YSHGAJCASA-N 2 0 302.462 2.648 20 0 DFADRP C[C@@H]([NH2+]CC1(C)CC[NH+](C)CC1)c1ccc(C(=O)N(C)C)cc1 ZINC000291995665 296117358 /nfs/dbraw/zinc/11/73/58/296117358.db2.gz AJTKPKYKLUAPFX-OAHLLOKOSA-N 2 0 317.477 2.771 20 0 DFADRP C[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@H]21)c1ccc([S@@](C)=O)cc1 ZINC000353648229 299385884 /nfs/dbraw/zinc/38/58/84/299385884.db2.gz UMBFEPGPJGQDNA-AZHKLSAYSA-N 2 0 320.502 2.947 20 0 DFADRP C[C@@H]([NH2+]CC1(N2CCCCC2)CC[NH+](C)CC1)c1cccnc1 ZINC000174252982 296118684 /nfs/dbraw/zinc/11/86/84/296118684.db2.gz QXULAZZSFWNBBP-QGZVFWFLSA-N 2 0 316.493 2.683 20 0 DFADRP CCC[C@H]([NH2+]C(C)C)C(=O)NCCC[N@H+](C)C1CCCCC1 ZINC000480349432 299387749 /nfs/dbraw/zinc/38/77/49/299387749.db2.gz QUEGXKWBQLYIEQ-KRWDZBQOSA-N 2 0 311.514 2.924 20 0 DFADRP CC[NH+](CC)[C@H](CN[C@H]1CC[N@H+](C)C[C@H]1C)Cc1ccccc1 ZINC000480826546 299390002 /nfs/dbraw/zinc/39/00/02/299390002.db2.gz KOPGFZBUEQWKOH-HOJAQTOUSA-N 2 0 317.521 2.869 20 0 DFADRP C[C@H](C(=O)NCC1([NH+](C)C)CCCCC1)[C@H]([NH3+])c1ccccc1 ZINC000261648434 203087665 /nfs/dbraw/zinc/08/76/65/203087665.db2.gz FBTFPIIGFFUSEY-RDJZCZTQSA-N 2 0 317.477 2.703 20 0 DFADRP CC[NH+]1CCN(CCC[NH2+][C@H](C)Cc2cccc(Cl)c2)CC1 ZINC000338420761 284110831 /nfs/dbraw/zinc/11/08/31/284110831.db2.gz BAECLWFOYJWYMU-MRXNPFEDSA-N 2 0 323.912 2.888 20 0 DFADRP [NH3+][C@@H]1CCC[C@H]1CC(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000261815032 203122913 /nfs/dbraw/zinc/12/29/13/203122913.db2.gz SBRBUTMBZYXGBE-ZNMIVQPWSA-N 2 0 321.490 2.519 20 0 DFADRP CCC[C@](C)([NH3+])C(=O)NCC[C@@H](C)[N@H+](C)Cc1ccccc1 ZINC000262095439 203197460 /nfs/dbraw/zinc/19/74/60/203197460.db2.gz BNVRURBJTHKWQY-QAPCUYQASA-N 2 0 305.466 2.531 20 0 DFADRP COC(=O)c1ccc(Cl)c(C[NH2+]CCC2CC[NH+](C)CC2)c1 ZINC000482243321 299401960 /nfs/dbraw/zinc/40/19/60/299401960.db2.gz GRDPKLGTQKSKIL-UHFFFAOYSA-N 2 0 324.852 2.948 20 0 DFADRP CCc1nocc1C[NH2+]CCc1ccc(OCC[NH+](C)C)cc1 ZINC000339232105 284139301 /nfs/dbraw/zinc/13/93/01/284139301.db2.gz OGYYUPHILCIQPN-UHFFFAOYSA-N 2 0 317.433 2.510 20 0 DFADRP C[N@@H+]1CC[C@H](NCC[NH+]2CCCCC2)C[C@H]1c1ccccc1 ZINC000340174239 284155134 /nfs/dbraw/zinc/15/51/34/284155134.db2.gz NNKZLGCYNPMEAA-OALUTQOASA-N 2 0 301.478 2.897 20 0 DFADRP CC[NH+](CC)[C@H](C(=O)N1CCC[C@@H]([C@H](C)[NH3+])C1)c1ccccc1 ZINC000262586358 203340707 /nfs/dbraw/zinc/34/07/07/203340707.db2.gz OVTKYSQZWWITEE-JQHSSLGASA-N 2 0 317.477 2.655 20 0 DFADRP [NH3+][C@@H]1CCC[C@@H]([NH2+]Cc2cc(Br)ccc2F)C1 ZINC000093215441 193216966 /nfs/dbraw/zinc/21/69/66/193216966.db2.gz XRXGRAXSSNCBOI-VXGBXAGGSA-N 2 0 301.203 2.948 20 0 DFADRP CCC[NH+](CCC)CCCNC(=O)[C@H]([NH3+])c1ccc(C)cc1 ZINC000262627674 203356897 /nfs/dbraw/zinc/35/68/97/203356897.db2.gz GIVVCPGBKSWLTA-QGZVFWFLSA-N 2 0 305.466 2.623 20 0 DFADRP CC1CCN(C(=[NH2+])NCCC[N@H+](C)Cc2ccccc2)CC1 ZINC000060344339 399123489 /nfs/dbraw/zinc/12/34/89/399123489.db2.gz QPHPIANUBVRIPO-UHFFFAOYSA-N 2 0 302.466 2.765 20 0 DFADRP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cccc(OCCOC)c2)[C@H](C)C1 ZINC000093638798 193279467 /nfs/dbraw/zinc/27/94/67/193279467.db2.gz SUNYHVCGZXGDOM-VQIMIIECSA-N 2 0 320.477 2.874 20 0 DFADRP CCN(C(=O)[C@@H](C)[N@@H+]1CCC2(C1)CC[NH2+]CC2)c1ccccc1 ZINC000358506404 284196083 /nfs/dbraw/zinc/19/60/83/284196083.db2.gz JYFLCXGVBXVYRK-MRXNPFEDSA-N 2 0 315.461 2.504 20 0 DFADRP CC(C)CSCCC[N@@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000595907795 399130900 /nfs/dbraw/zinc/13/09/00/399130900.db2.gz YLYBSKKVKIXPHI-INIZCTEOSA-N 2 0 302.528 2.808 20 0 DFADRP CCC(C)(C)[NH2+][C@H](C)C(=O)Nc1ccc(CC[NH+](C)C)cc1 ZINC000274915747 212032186 /nfs/dbraw/zinc/03/21/86/212032186.db2.gz YTOFVNQYOOEUGP-CQSZACIVSA-N 2 0 305.466 2.896 20 0 DFADRP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@@H](C)c2ccc(Cl)cn2)CC1 ZINC000274914485 212030293 /nfs/dbraw/zinc/03/02/93/212030293.db2.gz NYTRVFCUDYDCRU-CABCVRRESA-N 2 0 324.900 2.659 20 0 DFADRP CCOc1cc2[nH+]ccc(N3CC[C@H]([NH2+]C)C3)c2cc1OCC ZINC000420171757 296160342 /nfs/dbraw/zinc/16/03/42/296160342.db2.gz SISUJIJKDUAQDO-ZDUSSCGKSA-N 2 0 315.417 2.830 20 0 DFADRP Cc1cc(N2CC[NH2+]C[C@H]2C)c2cc(OC(F)F)ccc2[nH+]1 ZINC000420180097 296160584 /nfs/dbraw/zinc/16/05/84/296160584.db2.gz WNTKTFLANQQNKT-LLVKDONJSA-N 2 0 307.344 2.943 20 0 DFADRP CC[C@@H]1CCCC[C@@H]1C[N@@H+]1CC[C@H](N2CC[NH+](CC)CC2)C1 ZINC000600117660 399141891 /nfs/dbraw/zinc/14/18/91/399141891.db2.gz MIYAEQHXBQLHRS-QRVBRYPASA-N 2 0 307.526 2.915 20 0 DFADRP COc1cc2c(cc1F)[nH+]ccc2N1CCC2(C1)CC[NH2+]CC2 ZINC000420227344 296163902 /nfs/dbraw/zinc/16/39/02/296163902.db2.gz OAJZWGDTBJTAKH-UHFFFAOYSA-N 2 0 315.392 2.962 20 0 DFADRP Cc1cc(NCC2([NH3+])CCC2)c2cc(OC(F)F)ccc2[nH+]1 ZINC000420224516 296163720 /nfs/dbraw/zinc/16/37/20/296163720.db2.gz BEWLDEHGPYXQEY-UHFFFAOYSA-N 2 0 307.344 2.860 20 0 DFADRP C[NH+](C)CC1CC[NH+](Cc2cc(Cl)c3c(c2)OCCO3)CC1 ZINC000341182956 284244912 /nfs/dbraw/zinc/24/49/12/284244912.db2.gz HNOKJCCKWHOEKD-UHFFFAOYSA-N 2 0 324.852 2.885 20 0 DFADRP Brc1cnccc1N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000420268861 296167601 /nfs/dbraw/zinc/16/76/01/296167601.db2.gz XUXZLPPATIJYHD-LBPRGKRZSA-N 2 0 310.239 2.670 20 0 DFADRP COCc1cc(N2CC[C@@H](C)[C@H](C[NH3+])C2)c2cc(F)ccc2n1 ZINC000420285371 296169340 /nfs/dbraw/zinc/16/93/40/296169340.db2.gz OWDFWBQIWIWJCM-CHWSQXEVSA-N 2 0 317.408 2.941 20 0 DFADRP C[C@@](C[NH3+])(NCc1cncc(OCc2ccccc2)c1)C1CC1 ZINC000420284654 296169375 /nfs/dbraw/zinc/16/93/75/296169375.db2.gz DCNVPUHRNWTKAU-IBGZPJMESA-N 2 0 311.429 2.878 20 0 DFADRP Cc1cc(C)cc(NC(=O)[C@H](C)N(C)CC[C@@H]([NH3+])C(C)C)c1 ZINC000420284755 296169432 /nfs/dbraw/zinc/16/94/32/296169432.db2.gz DKQGEVBXHYHOTB-DOTOQJQBSA-N 2 0 305.466 2.936 20 0 DFADRP CCC[N@H+](C)CC(=O)N[C@H](C[NH+]1CCCCC1)c1ccccc1 ZINC000607338936 399157966 /nfs/dbraw/zinc/15/79/66/399157966.db2.gz WWHFKADCAIYTET-GOSISDBHSA-N 2 0 317.477 2.672 20 0 DFADRP C[C@@H]([NH3+])[C@H]1CCC[N@H+](CCOc2ccc(Cl)c(F)c2)C1 ZINC000420295689 296170456 /nfs/dbraw/zinc/17/04/56/296170456.db2.gz VYPUHQJVYIMODJ-NEPJUHHUSA-N 2 0 300.805 2.917 20 0 DFADRP c1ccc(C[N@H+](CC[C@@H]2CC[NH2+]C2)CC2CCOCC2)cc1 ZINC000420294122 296170507 /nfs/dbraw/zinc/17/05/07/296170507.db2.gz APPTYHUELWSEKH-KRWDZBQOSA-N 2 0 302.462 2.915 20 0 DFADRP Clc1ccc(CN2CC[NH+](CC[C@H]3CCC[NH2+]C3)CC2)cc1 ZINC000420298786 296171484 /nfs/dbraw/zinc/17/14/84/296171484.db2.gz HSGJZSFZMMDMTH-MRXNPFEDSA-N 2 0 321.896 2.847 20 0 DFADRP COc1ccc([C@H](C[NH3+])C[N@H+](C[C@H](C)O)C2CCCCC2)cc1 ZINC000420300731 296171607 /nfs/dbraw/zinc/17/16/07/296171607.db2.gz KKXVACQTOCZCCO-DOTOQJQBSA-N 2 0 320.477 2.753 20 0 DFADRP Fc1cccc(C[N@H+](CC[C@@H]2CC[NH2+]C2)C[C@@H]2CCCO2)c1 ZINC000420303927 296172117 /nfs/dbraw/zinc/17/21/17/296172117.db2.gz NYKQSEBBAYMMMA-YJBOKZPZSA-N 2 0 306.425 2.806 20 0 DFADRP COc1ccc([C@H](C[NH3+])C[N@@H+]2CCCC3(CCOCC3)C2)cc1 ZINC000420302459 296171791 /nfs/dbraw/zinc/17/17/91/296171791.db2.gz MGRAHFHOYWYZLN-QGZVFWFLSA-N 2 0 318.461 2.630 20 0 DFADRP c1csc(C[N@@H+](CC[C@@H]2CCCO2)[C@H]2CC23CC[NH2+]CC3)n1 ZINC000420309460 296172866 /nfs/dbraw/zinc/17/28/66/296172866.db2.gz LLXDKCISHAWKOY-GJZGRUSLSA-N 2 0 321.490 2.656 20 0 DFADRP [NH3+]C[C@H](Cc1ccccc1)[C@H]1CCCC[N@@H+]1CC[C@H]1CC[NH2+]C1 ZINC000420307897 296172934 /nfs/dbraw/zinc/17/29/34/296172934.db2.gz JCUHMGYBUGKNKU-HSALFYBXSA-N 3 0 315.505 2.658 20 0 DFADRP c1ccc(C[N@@H+](CC[C@@H]2CCCO2)[C@H]2CCC[NH2+]CC2)nc1 ZINC000420305537 296172595 /nfs/dbraw/zinc/17/25/95/296172595.db2.gz GPHWCQYSSNYWEF-ROUUACIJSA-N 2 0 303.450 2.595 20 0 DFADRP CC[N@H+](CC[C@H]1CC[NH2+]C1)CC(=O)Nc1c(C)cccc1C ZINC000420306593 296172652 /nfs/dbraw/zinc/17/26/52/296172652.db2.gz QLZJTZWHRNCJFZ-MRXNPFEDSA-N 2 0 303.450 2.563 20 0 DFADRP CCCCNC(=O)C1([NH2+]CC[C@H]2CCC[NH2+]C2)CCCCC1 ZINC000420308070 296172766 /nfs/dbraw/zinc/17/27/66/296172766.db2.gz RXZMBJQXKHEUCG-MRXNPFEDSA-N 2 0 309.498 2.585 20 0 DFADRP COC(=O)[C@@H](c1cccc(Cl)c1)N1CCC[C@@H](CC[NH3+])C1 ZINC000420309542 296173071 /nfs/dbraw/zinc/17/30/71/296173071.db2.gz LOAVNWSYXHGLKR-SWLSCSKDSA-N 2 0 310.825 2.615 20 0 DFADRP [NH3+][C@@H]1CCC[C@H]2C[N@H+](CCOc3ccc(F)cc3Cl)C[C@@H]21 ZINC000420310760 296173526 /nfs/dbraw/zinc/17/35/26/296173526.db2.gz QBTROGJMJIEBSS-CORIIIEPSA-N 2 0 312.816 2.917 20 0 DFADRP C[C@H]([NH3+])CN1CCC[N@H+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000420314142 296173748 /nfs/dbraw/zinc/17/37/48/296173748.db2.gz YWOBAORTRVNZCK-ZDUSSCGKSA-N 2 0 315.383 2.560 20 0 DFADRP c1cc(C[N@@H+](CC[C@H]2CC[NH2+]C2)[C@H]2CC23CC[NH2+]CC3)cs1 ZINC000420309522 296172981 /nfs/dbraw/zinc/17/29/81/296172981.db2.gz LNNUSNOQNHAVGX-WBVHZDCISA-N 3 0 319.518 2.692 20 0 DFADRP COc1ccc([C@H](C[NH3+])C[N@@H+]2CCC[C@H]2c2cc(C)no2)cc1 ZINC000420319343 296174391 /nfs/dbraw/zinc/17/43/91/296174391.db2.gz PFZLKDKGPZZVNH-WBVHZDCISA-N 2 0 315.417 2.871 20 0 DFADRP CCOC(=O)CC[N@H+](Cc1ccsc1)[C@@H]1CC12CC[NH2+]CC2 ZINC000420316444 296174019 /nfs/dbraw/zinc/17/40/19/296174019.db2.gz SSARTGVVZBKBNS-OAHLLOKOSA-N 2 0 322.474 2.645 20 0 DFADRP CC[N@H+](CC[C@@H]1CCC[NH2+]C1)Cc1ccc(OC)c(OC)c1 ZINC000420317688 296174262 /nfs/dbraw/zinc/17/42/62/296174262.db2.gz NSYILEOIBSVZIW-HNNXBMFYSA-N 2 0 306.450 2.915 20 0 DFADRP CCc1ccccc1NC(=O)[C@H](C)[N@@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000420321399 296174969 /nfs/dbraw/zinc/17/49/69/296174969.db2.gz ZZYSQGJVXIISEQ-GJZGRUSLSA-N 2 0 303.450 2.637 20 0 DFADRP CCCCc1noc([C@H](C)[N@@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)n1 ZINC000420325109 296175178 /nfs/dbraw/zinc/17/51/78/296175178.db2.gz IBNWHUWUTVFWJZ-KKUMJFAQSA-N 2 0 306.454 2.795 20 0 DFADRP C[C@H](c1nc(C(C)(C)C)no1)[N@@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420323241 296175189 /nfs/dbraw/zinc/17/51/89/296175189.db2.gz FWZJEXQDYJSGED-MCIONIFRSA-N 2 0 306.454 2.750 20 0 DFADRP Clc1cccc([C@H]2C[NH2+]CCN2CC[C@@H]2CCC[NH2+]C2)c1 ZINC000420322564 296174845 /nfs/dbraw/zinc/17/48/45/296174845.db2.gz WSKYJUJFCADDLK-WMLDXEAASA-N 2 0 307.869 2.676 20 0 DFADRP [NH3+]C[C@@H]1C[N@H+](Cc2cccc(C(F)F)c2)CC12CCOCC2 ZINC000420328751 296176140 /nfs/dbraw/zinc/17/61/40/296176140.db2.gz MYCFGKLWHOFCRD-OAHLLOKOSA-N 2 0 310.388 2.812 20 0 DFADRP Cn1c2ccccc2nc1CC[NH+]1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000420331633 296176350 /nfs/dbraw/zinc/17/63/50/296176350.db2.gz FKQHTJQBMZZXCU-MRXNPFEDSA-N 2 0 312.461 2.580 20 0 DFADRP Cc1ccccc1NC(=O)[C@H](C)[N@@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420331188 296176489 /nfs/dbraw/zinc/17/64/89/296176489.db2.gz BSXLTWQZAAZNQR-GVDBMIGSSA-N 2 0 315.461 2.644 20 0 DFADRP Cc1ccccc1NC(=O)[C@@H](C)[NH+]1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000420332547 296176544 /nfs/dbraw/zinc/17/65/44/296176544.db2.gz DDVIPKFBPOUDNS-CRAIPNDOSA-N 2 0 315.461 2.786 20 0 DFADRP C[C@@H]1C[N@@H+](CCCC[NH2+]Cc2ccc(Cl)o2)C[C@H](C)O1 ZINC000062252991 399168689 /nfs/dbraw/zinc/16/86/89/399168689.db2.gz SLEGUOJVZJYOKF-BETUJISGSA-N 2 0 300.830 2.912 20 0 DFADRP c1csc(-c2noc(C[N@@H+]3CCC[C@@H]([C@H]4CC[NH2+]C4)C3)n2)c1 ZINC000420346038 296178143 /nfs/dbraw/zinc/17/81/43/296178143.db2.gz XGMVXJLNJJNMRG-QWHCGFSZSA-N 2 0 318.446 2.620 20 0 DFADRP CC1(C)C[NH2+]CC[C@@H]1[NH2+]CCCc1nc(-c2cccs2)no1 ZINC000420358461 296179493 /nfs/dbraw/zinc/17/94/93/296179493.db2.gz ITYTUBKWWYFYFD-ZDUSSCGKSA-N 2 0 320.462 2.708 20 0 DFADRP CC[C@@H]1Cc2ccccc2C[N@@H+]1C[C@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC000420365421 296180825 /nfs/dbraw/zinc/18/08/25/296180825.db2.gz SDEUDSYYKHQNJY-HKBOAZHASA-N 2 0 324.468 2.754 20 0 DFADRP COc1ccc([C@@H](C[NH3+])C[N@@H+]2CCC[C@H]2c2cccnc2)cc1 ZINC000420364967 296180879 /nfs/dbraw/zinc/18/08/79/296180879.db2.gz RQMZKTJBNWKWKA-HKUYNNGSSA-N 2 0 311.429 2.970 20 0 DFADRP COC(=O)C1(C[N@@H+]2CCC[C@@H](C[NH+]3CCCCCC3)C2)CC1 ZINC000448525453 297340980 /nfs/dbraw/zinc/34/09/80/297340980.db2.gz QUKHSZAZIKXLPZ-INIZCTEOSA-N 2 0 308.466 2.528 20 0 DFADRP Cc1cccc(OCC[NH+]2CCC([C@@H]3OCCC[C@H]3[NH3+])CC2)c1 ZINC000420372864 296181738 /nfs/dbraw/zinc/18/17/38/296181738.db2.gz FUYKIWYFBFXJPU-MOPGFXCFSA-N 2 0 318.461 2.592 20 0 DFADRP COCC[C@@H]1CCCC[N@H+](C[C@H](C[NH3+])c2ccc(OC)cc2)C1 ZINC000420375026 296182337 /nfs/dbraw/zinc/18/23/37/296182337.db2.gz ORIPYUIKLRKZKT-WMZOPIPTSA-N 2 0 320.477 2.876 20 0 DFADRP CCc1cccc(C[NH+]2CCC([C@H]3OCCC[C@H]3[NH3+])CC2)c1 ZINC000420374636 296182401 /nfs/dbraw/zinc/18/24/01/296182401.db2.gz HQKQIPCPGTZUCT-RTBURBONSA-N 2 0 302.462 2.967 20 0 DFADRP COCC[C@H]1CCCC[N@H+](C[C@@H](C[NH3+])c2ccc(OC)cc2)C1 ZINC000420375025 296182479 /nfs/dbraw/zinc/18/24/79/296182479.db2.gz ORIPYUIKLRKZKT-SJLPKXTDSA-N 2 0 320.477 2.876 20 0 DFADRP Brc1ccc2c(c1)CC[N@@H+](CC[C@H]1CC[NH2+]C1)C2 ZINC000420375452 296182628 /nfs/dbraw/zinc/18/26/28/296182628.db2.gz PJNMWDKJEIWNQW-GFCCVEGCSA-N 2 0 309.251 2.807 20 0 DFADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+][C@H]2CCCc3occc32)CC1 ZINC000192823825 399175393 /nfs/dbraw/zinc/17/53/93/399175393.db2.gz MFQQAHJCXPDEON-RDJZCZTQSA-N 2 0 305.466 2.520 20 0 DFADRP [NH3+][C@H]1CCCO[C@@H]1C1CC[NH+](CCCc2cccc(F)c2)CC1 ZINC000420384712 296183933 /nfs/dbraw/zinc/18/39/33/296183933.db2.gz RWJFJEINXJXFPI-RBUKOAKNSA-N 2 0 320.452 2.977 20 0 DFADRP C[C@@H](c1ccsc1)N1CC[NH+](CCC2CC[NH2+]CC2)CC1 ZINC000420383341 296183995 /nfs/dbraw/zinc/18/39/95/296183995.db2.gz ZILLVSPHWOSYHN-HNNXBMFYSA-N 2 0 307.507 2.816 20 0 DFADRP C[C@H](c1cccc(Cl)c1)[N@@H+]1CCC[C@H](n2cc(C[NH3+])nn2)C1 ZINC000420385700 296184359 /nfs/dbraw/zinc/18/43/59/296184359.db2.gz UEKKACCJSIYDRJ-WBMJQRKESA-N 2 0 319.840 2.788 20 0 DFADRP COc1ccc(C[NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)c(C)c1OC ZINC000342090608 284324664 /nfs/dbraw/zinc/32/46/64/284324664.db2.gz VZSKQEOTKZTXDR-AWEZNQCLSA-N 2 0 304.434 2.586 20 0 DFADRP COc1cccc([C@H](C)[NH+]2CCC([C@H]3C[C@@H]([NH3+])CCO3)CC2)c1 ZINC000420385725 296184483 /nfs/dbraw/zinc/18/44/83/296184483.db2.gz HWPBFAIMNZYPHK-UCLAIMLFSA-N 2 0 318.461 2.975 20 0 DFADRP [NH3+][C@@H]1CCO[C@@H](C2CC[NH+](CCCc3ccsc3)CC2)C1 ZINC000420394966 296185752 /nfs/dbraw/zinc/18/57/52/296185752.db2.gz SNBSOBRJALCFFG-IAGOWNOFSA-N 2 0 308.491 2.899 20 0 DFADRP CCc1ccccc1C[NH+]1CCC([C@H]2C[C@@H]([NH3+])CCO2)CC1 ZINC000420396018 296185788 /nfs/dbraw/zinc/18/57/88/296185788.db2.gz VAWSHTIIZBLKNP-RBUKOAKNSA-N 2 0 302.462 2.967 20 0 DFADRP Cc1cc(-c2noc(CN3CC[C@@H](C)[C@H](C[NH3+])C3)n2)ccc1F ZINC000420414628 296188024 /nfs/dbraw/zinc/18/80/24/296188024.db2.gz UOBWLWWKQFAAAI-BXUZGUMPSA-N 2 0 318.396 2.601 20 0 DFADRP CC(C)([NH3+])c1noc(C[NH2+][C@@H]2CCC[C@@H]2Cc2ccccc2)n1 ZINC000420422274 296188209 /nfs/dbraw/zinc/18/82/09/296188209.db2.gz ZDKMQNZKVVQRIQ-HUUCEWRRSA-N 2 0 314.433 2.764 20 0 DFADRP CC(C)[NH+]1CCC(O)(C[NH2+][C@H]2CCC[C@H](C(F)(F)F)C2)CC1 ZINC000438195177 297084444 /nfs/dbraw/zinc/08/44/44/297084444.db2.gz ZXPSRODMWAMLID-KBPBESRZSA-N 2 0 322.415 2.932 20 0 DFADRP CC[N@H+](C)[C@@H](C(=O)N[C@H](C)C(C)(C)C[NH+](C)C)c1ccccc1 ZINC000246144929 284368179 /nfs/dbraw/zinc/36/81/79/284368179.db2.gz GSGQNJZYLMUIHT-NVXWUHKLSA-N 2 0 319.493 2.772 20 0 DFADRP C[NH+]1CCN(CCC[NH2+]Cc2ccc(Cl)cc2Cl)CC1 ZINC000021510639 182276750 /nfs/dbraw/zinc/27/67/50/182276750.db2.gz WSJLIMJDHAPZDT-UHFFFAOYSA-N 2 0 316.276 2.721 20 0 DFADRP C[C@H]([NH2+]CC1(N2CCCCC2)CC[NH+](C)CC1)[C@H]1CC1(C)C ZINC000487290624 299455899 /nfs/dbraw/zinc/45/58/99/299455899.db2.gz CNEPYADFFNWKCA-DLBZAZTESA-N 2 0 307.526 2.961 20 0 DFADRP O[C@H]1C[C@@H](C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3Cc3ccccc3)C2)C1 ZINC000420945214 296215987 /nfs/dbraw/zinc/21/59/87/296215987.db2.gz YQKNZYMJJLGZTK-VNTMZGSJSA-N 2 0 314.473 2.744 20 0 DFADRP CC(C)[C@H](CNC(=O)C[NH+]1CCC(C)CC1)[NH+]1CCC(C)CC1 ZINC000622306852 399245792 /nfs/dbraw/zinc/24/57/92/399245792.db2.gz LNSPCYMSMVTQIL-SFHVURJKSA-N 2 0 323.525 2.591 20 0 DFADRP C[N@H+](Cc1cccc(CN2CCOCC2)c1)Cc1ccccn1 ZINC000420976538 296219734 /nfs/dbraw/zinc/21/97/34/296219734.db2.gz QWBWLWSGNNGQBI-UHFFFAOYSA-N 2 0 311.429 2.546 20 0 DFADRP O[C@H]1C[C@@H](C[N@@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)C1 ZINC000420980362 296220105 /nfs/dbraw/zinc/22/01/05/296220105.db2.gz WPGGOSIZCUMXQW-KDURUIRLSA-N 2 0 314.473 2.745 20 0 DFADRP CC[N@@H+]1CCC[C@H]1CN(C)C(=O)[C@@H]1CCCC[NH+]1C1CCCC1 ZINC000622408571 399252112 /nfs/dbraw/zinc/25/21/12/399252112.db2.gz CPNQDGUCZMRFCF-ROUUACIJSA-N 2 0 321.509 2.726 20 0 DFADRP CC[C@H](C)[NH+]1CCN(C(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)CC1 ZINC000622658082 399265681 /nfs/dbraw/zinc/26/56/81/399265681.db2.gz PJAXGBOJILYHGE-FUHWJXTLSA-N 2 0 321.509 2.726 20 0 DFADRP C[C@H](C[NH+]1CCC(C)CC1)NC(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC000618987821 399271963 /nfs/dbraw/zinc/27/19/63/399271963.db2.gz UZFPOYNPSAPZFH-SJLPKXTDSA-N 2 0 321.509 2.630 20 0 DFADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+]Cc2cccc(C3CC3)c2)CC1 ZINC000421326346 296244996 /nfs/dbraw/zinc/24/49/96/296244996.db2.gz NQJJHGCSQAINAW-KRWDZBQOSA-N 2 0 315.505 2.927 20 0 DFADRP CC[NH+](CC)CCCCNC(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC000353829966 284584336 /nfs/dbraw/zinc/58/43/36/284584336.db2.gz UENUQZZRLBSDCJ-KRWDZBQOSA-N 2 0 311.514 2.735 20 0 DFADRP CO[C@@H]1[C@@H](C)[C@@H]([NH2+]C2CCN(c3cc[nH+]cc3)CC2)C1(C)C ZINC000421346479 296246340 /nfs/dbraw/zinc/24/63/40/296246340.db2.gz YXRFCNWNAMPKMC-IAOVAPTHSA-N 2 0 303.450 2.700 20 0 DFADRP Cc1cc(C[NH2+]C2CCC([NH+](C)C)CC2)ccc1-n1cncn1 ZINC000421380649 296250606 /nfs/dbraw/zinc/25/06/06/296250606.db2.gz YURWPCUDMPDGTP-UHFFFAOYSA-N 2 0 313.449 2.538 20 0 DFADRP COC(=O)c1cc(C[NH+]2CCC(C[N@H+](C)C(C)C)CC2)c(C)o1 ZINC000609133422 399304515 /nfs/dbraw/zinc/30/45/15/399304515.db2.gz BIOGDRCWVVUPEM-UHFFFAOYSA-N 2 0 322.449 2.927 20 0 DFADRP CCCC[C@H](C(=O)OC)[N@@H+]1CC[C@@H](CNc2cc(C)cc[nH+]2)C1 ZINC000609317326 399313504 /nfs/dbraw/zinc/31/35/04/399313504.db2.gz UPXNHOKGPUYGHD-JKSUJKDBSA-N 2 0 319.449 2.856 20 0 DFADRP CC(C)C[C@@](C)(C[NH3+])NC(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000623058562 399320821 /nfs/dbraw/zinc/32/08/21/399320821.db2.gz FSISMTKDQYXRHP-KRWDZBQOSA-N 2 0 306.454 2.633 20 0 DFADRP Clc1ccccc1N1CC[NH+](CC[C@H]2CCC[NH2+]C2)CC1 ZINC000051919422 425883331 /nfs/dbraw/zinc/88/33/31/425883331.db2.gz KXJRUKAPBZLDPU-OAHLLOKOSA-N 2 0 307.869 2.852 20 0 DFADRP COc1ccc([C@H]([NH2+]CCOCC[NH+](C)C)C(C)C)c(F)c1 ZINC000421842677 296277340 /nfs/dbraw/zinc/27/73/40/296277340.db2.gz OKFFDBBANWDJNV-QGZVFWFLSA-N 2 0 312.429 2.699 20 0 DFADRP C[C@@H]([NH2+]CCCC1(O)CCC1)c1ccc(OCC[NH+](C)C)cc1 ZINC000421848299 296277442 /nfs/dbraw/zinc/27/74/42/296277442.db2.gz AGETUVFPPWOQHG-MRXNPFEDSA-N 2 0 320.477 2.973 20 0 DFADRP CC1(C)CC[C@H]1[NH2+]Cc1ccccc1C[N@@H+]1CCC[C@H]1CO ZINC000284411295 218016806 /nfs/dbraw/zinc/01/68/06/218016806.db2.gz QHMWUZNDQHBKDK-ZWKOTPCHSA-N 2 0 302.462 2.922 20 0 DFADRP C[C@@H]1CC(C)(C)C[C@@H]1[NH2+]C1CCN(C2CC[NH+](C)CC2)CC1 ZINC000193128126 296284870 /nfs/dbraw/zinc/28/48/70/296284870.db2.gz KMGIPUJUUVDUKY-QAPCUYQASA-N 2 0 307.526 2.959 20 0 DFADRP C[NH+](C)CCCC1CCN(C(=O)c2ccc3c[nH+]cn3c2)CC1 ZINC000284681532 218132021 /nfs/dbraw/zinc/13/20/21/218132021.db2.gz BEHIJMRBJKOVIM-UHFFFAOYSA-N 2 0 314.433 2.528 20 0 DFADRP Cc1ccc(-c2n[nH]cc2C[NH2+]CCC2CC[NH+](C)CC2)o1 ZINC000105454571 194103907 /nfs/dbraw/zinc/10/39/07/194103907.db2.gz LGOZWBCWXTXFMZ-UHFFFAOYSA-N 2 0 302.422 2.800 20 0 DFADRP CN(C)[C@@H](C[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1)c1cccc(F)c1 ZINC000623336032 399365644 /nfs/dbraw/zinc/36/56/44/399365644.db2.gz RGROPLDXIMPBSH-SJORKVTESA-N 2 0 307.457 2.891 20 0 DFADRP C[N@@H+]1CC[C@H]([NH2+]Cc2ccccc2Cn2cccn2)CC1(C)C ZINC000623344514 399367344 /nfs/dbraw/zinc/36/73/44/399367344.db2.gz PUFCLRFIEAOPLE-SFHVURJKSA-N 2 0 312.461 2.894 20 0 DFADRP C[C@H]([NH2+]CCCC[NH+](C)C)c1cc(Br)ncc1F ZINC000273813789 211082384 /nfs/dbraw/zinc/08/23/84/211082384.db2.gz BLHUPYWPRQPYDS-JTQLQIEISA-N 2 0 318.234 2.976 20 0 DFADRP CCc1cc(N2CC[C@@H]3OCC[N@H+](C)[C@@H]3C2)c2ccccc2[nH+]1 ZINC000285031112 218263684 /nfs/dbraw/zinc/26/36/84/218263684.db2.gz NJSCYSDMMWWTOA-MOPGFXCFSA-N 2 0 311.429 2.707 20 0 DFADRP C[N@@H+]1CC[C@@H]([NH2+]CCN2CCc3sccc3C2)CC1(C)C ZINC000623372424 399374355 /nfs/dbraw/zinc/37/43/55/399374355.db2.gz ULTZVWCFTAZYJI-OAHLLOKOSA-N 2 0 307.507 2.569 20 0 DFADRP COC(=O)c1ccc(C[NH2+]CCCC[N@@H+]2CCCC[C@H]2C)n1C ZINC000602004041 399380381 /nfs/dbraw/zinc/38/03/81/399380381.db2.gz JQEIHMKLHFPWCM-OAHLLOKOSA-N 2 0 321.465 2.556 20 0 DFADRP O=C1C[C@@H]([NH2+]C2CC[NH+](C3CCCCC3)CC2)[C@H]2CCCCN12 ZINC000374516704 284834246 /nfs/dbraw/zinc/83/42/46/284834246.db2.gz ZLLZVOWTUOCFHP-QZTJIDSGSA-N 2 0 319.493 2.527 20 0 DFADRP COc1cc(Br)ccc1C[NH2+]C(C)(C)CC[NH3+] ZINC000422558117 296312214 /nfs/dbraw/zinc/31/22/14/296312214.db2.gz ADNVSAXTQQXNCL-UHFFFAOYSA-N 2 0 301.228 2.675 20 0 DFADRP C[NH+](C)C1CCC([NH2+][C@H]2CCN[C@H](c3ccccc3)C2)CC1 ZINC000422558829 296312253 /nfs/dbraw/zinc/31/22/53/296312253.db2.gz ZUDZIMOILJBJFB-JEVOJNTISA-N 2 0 301.478 2.942 20 0 DFADRP COCCOc1cccc(C[N@@H+]2C[C@H](C[NH3+])[C@@H](C)C[C@H]2C)c1 ZINC000422560475 296312788 /nfs/dbraw/zinc/31/27/88/296312788.db2.gz GWSBQAVZTIRJTN-UXLLHSPISA-N 2 0 306.450 2.517 20 0 DFADRP COCCOc1ccc(C[N@@H+]2C[C@H](C[NH3+])[C@@H](C)C[C@H]2C)cc1 ZINC000422561262 296312776 /nfs/dbraw/zinc/31/27/76/296312776.db2.gz KFVHNBNJYOOCHX-UXLLHSPISA-N 2 0 306.450 2.517 20 0 DFADRP Cc1nn(-c2ccccc2)cc1C[N@@H+]1C[C@H](C[NH3+])[C@@H](C)C[C@@H]1C ZINC000422565716 296313399 /nfs/dbraw/zinc/31/33/99/296313399.db2.gz ZUAUNAFIRRWTAU-ZOBUZTSGSA-N 2 0 312.461 2.986 20 0 DFADRP C[C@H]([NH3+])C1CC[NH+](Cc2csc(-c3ccccn3)n2)CC1 ZINC000110649154 194345469 /nfs/dbraw/zinc/34/54/69/194345469.db2.gz AGMRNBHILPTUKK-LBPRGKRZSA-N 2 0 302.447 2.764 20 0 DFADRP C[C@H]([NH2+]CCCC[N@@H+]1CCC[C@H]1CO)c1cc(F)cc(F)c1 ZINC000268863411 207032055 /nfs/dbraw/zinc/03/20/55/207032055.db2.gz FBVKUIJGKWZVQN-GUYCJALGSA-N 2 0 312.404 2.852 20 0 DFADRP C[C@@H](CC[NH+](C)C)[NH2+][C@@H](C)c1ccc(N2CCOC2=O)cc1 ZINC000268868403 207037024 /nfs/dbraw/zinc/03/70/24/207037024.db2.gz CPVJVPNWADUSPV-KBPBESRZSA-N 2 0 305.422 2.634 20 0 DFADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1[NH2+]CCc1ccn(-c2ccccc2)n1 ZINC000268887913 207056842 /nfs/dbraw/zinc/05/68/42/207056842.db2.gz XOEAYZZJSPTGQH-JTDSTZFVSA-N 2 0 312.461 2.733 20 0 DFADRP CC[N@@H+]1CC[C@H]([NH2+][C@@H]2CCN(c3cccc(OC)c3)C2)[C@@H](C)C1 ZINC000268880701 207050260 /nfs/dbraw/zinc/05/02/60/207050260.db2.gz WOTKATQJYDLQDX-FCEWJHQRSA-N 2 0 317.477 2.594 20 0 DFADRP CC[N@@H+]1CC[C@H]([NH2+]CCc2nc3c(cccc3C)o2)[C@H](C)C1 ZINC000268880108 207051932 /nfs/dbraw/zinc/05/19/32/207051932.db2.gz AVTXGMAJRMSZNU-CABCVRRESA-N 2 0 301.434 2.999 20 0 DFADRP CC[N@@H+]1CC[C@H]([NH2+][C@@H]2CCN(c3cccc(OC)c3)C2)[C@H](C)C1 ZINC000268880703 207052166 /nfs/dbraw/zinc/05/21/66/207052166.db2.gz WOTKATQJYDLQDX-MDZRGWNJSA-N 2 0 317.477 2.594 20 0 DFADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1N[C@H]1CC[NH+](C)C(C)(C)C1 ZINC000623493627 399400930 /nfs/dbraw/zinc/40/09/30/399400930.db2.gz LWLRJFCVDHNIGW-NZSAHSFTSA-N 2 0 315.505 2.969 20 0 DFADRP OC[C@@H]1CCC[N@@H+]1CCCC[NH2+][C@@H]1CCCc2ccccc21 ZINC000268904046 207073723 /nfs/dbraw/zinc/07/37/23/207073723.db2.gz LPLVAARMRVVVSL-PKOBYXMFSA-N 2 0 302.462 2.891 20 0 DFADRP Fc1ccc(Br)cc1CC[NH2+][C@H]1CCC[NH2+]CC1 ZINC000422700982 296318408 /nfs/dbraw/zinc/31/84/08/296318408.db2.gz HSNUMKUVCYCRQM-ZDUSSCGKSA-N 2 0 315.230 2.862 20 0 DFADRP C[N@@H+]1CC[C@@H]([NH2+]CC2CCN(CC(F)(F)F)CC2)CC1(C)C ZINC000623501771 399403480 /nfs/dbraw/zinc/40/34/80/399403480.db2.gz IRASCYGQMPTOQG-CQSZACIVSA-N 2 0 321.431 2.723 20 0 DFADRP CCC[N@@H+]1CC[C@H](NC(=O)[C@@H](c2ccccc2)[NH+](CC)CC)C1 ZINC000619900370 399402929 /nfs/dbraw/zinc/40/29/29/399402929.db2.gz ZSZOQRYSBRKCDI-ZWKOTPCHSA-N 2 0 317.477 2.670 20 0 DFADRP COc1ccccc1[C@@H](C[NH2+][C@@H](C)CCC[NH3+])N1CCCCC1 ZINC000422706277 296319014 /nfs/dbraw/zinc/31/90/14/296319014.db2.gz DTZRZAUDISLDNN-FUHWJXTLSA-N 2 0 319.493 2.939 20 0 DFADRP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@@H]2CCc3c2cccc3F)CC1 ZINC000268925029 207090579 /nfs/dbraw/zinc/09/05/79/207090579.db2.gz RFJXZWNWISLLTF-DNVCBOLYSA-N 2 0 319.468 2.676 20 0 DFADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+][C@H]2CCc3c2cccc3F)CC1 ZINC000268925034 207091240 /nfs/dbraw/zinc/09/12/40/207091240.db2.gz RFJXZWNWISLLTF-KXBFYZLASA-N 2 0 319.468 2.676 20 0 DFADRP CC(=O)Nc1ccc(CC[NH2+][C@H]2C[C@@H]([NH3+])c3ccccc32)cc1 ZINC000422708691 296319501 /nfs/dbraw/zinc/31/95/01/296319501.db2.gz CGPFMUFUPKHYOW-MOPGFXCFSA-N 2 0 309.413 2.922 20 0 DFADRP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]C[C@H](C)N1CCc2ccccc21 ZINC000422709731 296319642 /nfs/dbraw/zinc/31/96/42/296319642.db2.gz DVHOPVQZCUIBLY-ZWOKBUDYSA-N 2 0 323.484 2.986 20 0 DFADRP COc1ccccc1[C@H](C[NH2+][C@H](C)C[C@@H](C)[NH3+])N1CCCCC1 ZINC000422709301 296319655 /nfs/dbraw/zinc/31/96/55/296319655.db2.gz KIBXIXCPUVAJQN-NUJGCVRESA-N 2 0 319.493 2.938 20 0 DFADRP CCOC(=O)C1([C@H](C)[NH2+]C[C@H]2CCCC[C@@H]2C)CC[NH2+]CC1 ZINC000422706976 296319436 /nfs/dbraw/zinc/31/94/36/296319436.db2.gz VNDBVLPVBXLHJU-HRCADAONSA-N 2 0 310.482 2.724 20 0 DFADRP COc1ccc(CC[NH2+][C@@H](Cc2ccccc2)[C@H](C)[NH3+])cc1F ZINC000422714606 296320389 /nfs/dbraw/zinc/32/03/89/296320389.db2.gz RDVJSSWZNNMOKF-KSSFIOAISA-N 2 0 316.420 2.925 20 0 DFADRP C[C@H](CN[C@@H]1CC[NH2+][C@H](c2ccccc2)C1)C[NH+]1CCCC1 ZINC000422710034 296319951 /nfs/dbraw/zinc/31/99/51/296319951.db2.gz DSNSPDSXRKRWQH-QRQLOZEOSA-N 2 0 301.478 2.801 20 0 DFADRP C[C@H](C[NH2+][C@@H]1CCCC[C@@H]1C[NH3+])N1CCc2ccccc2C1 ZINC000422711889 296319987 /nfs/dbraw/zinc/31/99/87/296319987.db2.gz HQFAORKSQWIOKK-SZVBFZGTSA-N 2 0 301.478 2.540 20 0 DFADRP [NH3+]CC1CCC([NH2+]C[C@H]2CC[N@H+](CCc3ccccc3)C2)CC1 ZINC000422712637 296320053 /nfs/dbraw/zinc/32/00/53/296320053.db2.gz IQKVINXHMFYPCW-IOJLRTSASA-N 3 0 315.505 2.658 20 0 DFADRP COc1ccc(CCC[NH2+][C@H]2CC[NH2+]CC[C@H]2C)cc1OC ZINC000422717867 296320995 /nfs/dbraw/zinc/32/09/95/296320995.db2.gz KSVXMNHYQDGOEZ-ZBFHGGJFSA-N 2 0 306.450 2.614 20 0 DFADRP Cc1nc(CN2CCC(C[NH2+][C@H](C)CCCC[NH3+])CC2)oc1C ZINC000422715588 296320653 /nfs/dbraw/zinc/32/06/53/296320653.db2.gz SIDXUUFNXABTCV-CQSZACIVSA-N 2 0 322.497 2.611 20 0 DFADRP C[N@@H+]1CC[C@@H]([NH2+][C@H]2CCN(c3ccccc3F)C2)CC1(C)C ZINC000623531162 399409998 /nfs/dbraw/zinc/40/99/98/399409998.db2.gz KXGFPCXENGNOIL-CABCVRRESA-N 2 0 305.441 2.867 20 0 DFADRP CCOc1c(Cl)cc(C[NH2+][C@@H](C)C[C@@H](C)[NH3+])cc1OC ZINC000422724120 296321667 /nfs/dbraw/zinc/32/16/67/296321667.db2.gz UORYHFZCZDOYKY-MNOVXSKESA-N 2 0 300.830 2.963 20 0 DFADRP CC[C@@H](NC[C@@H]1CC[N@H+](CCc2ccccc2)C1)[C@@H]1CCC[NH2+]1 ZINC000422722926 296321769 /nfs/dbraw/zinc/32/17/69/296321769.db2.gz ZCVNHHPOACEFNN-ZCNNSNEGSA-N 2 0 315.505 2.671 20 0 DFADRP CC[C@@H](NC1CC[NH+](Cc2ccc(F)cc2)CC1)[C@@H]1CCC[NH2+]1 ZINC000422724321 296321851 /nfs/dbraw/zinc/32/18/51/296321851.db2.gz VIHOXBZMMABANP-MOPGFXCFSA-N 2 0 319.468 2.910 20 0 DFADRP Cc1ccc(C[C@H](CO)[NH2+][C@@H]2CC[N@@H+](C)C(C)(C)C2)cc1C ZINC000623545044 399413198 /nfs/dbraw/zinc/41/31/98/399413198.db2.gz YMHCTCPEYZTJDK-QZTJIDSGSA-N 2 0 304.478 2.669 20 0 DFADRP OCCCC[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000268959271 207123137 /nfs/dbraw/zinc/12/31/37/207123137.db2.gz FGBNSKYQCUISOZ-OALUTQOASA-N 2 0 302.462 2.745 20 0 DFADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]C1CCN(Cc2ccccc2)CC1 ZINC000422726810 296322355 /nfs/dbraw/zinc/32/23/55/296322355.db2.gz GACFKIJJESCHMC-APWZRJJASA-N 2 0 301.478 2.629 20 0 DFADRP C[C@H]1CC[NH2+]CC[C@@H]1[NH2+]C1CCN(Cc2ccccc2)CC1 ZINC000422726811 296322408 /nfs/dbraw/zinc/32/24/08/296322408.db2.gz GACFKIJJESCHMC-LPHOPBHVSA-N 2 0 301.478 2.629 20 0 DFADRP CC[C@@H]1CCCC[N@@H+]1CCN[C@@H](Cc1ccccc1)[C@@H](C)[NH3+] ZINC000422730992 296323202 /nfs/dbraw/zinc/32/32/02/296323202.db2.gz MXXBNXJJFNQNRV-QRQLOZEOSA-N 2 0 303.494 2.799 20 0 DFADRP CO[C@H](C[NH2+][C@H](C)c1ccc(OCC[NH+](C)C)cc1)C(C)C ZINC000268998662 207155592 /nfs/dbraw/zinc/15/55/92/207155592.db2.gz UFZJTXFLIDEEFR-CRAIPNDOSA-N 2 0 308.466 2.949 20 0 DFADRP CCOC(=O)CC[C@@H]1CCC[N@H+](CC[C@H]2CCCC[NH+]2C)C1 ZINC000611036221 399430205 /nfs/dbraw/zinc/43/02/05/399430205.db2.gz FIFILSUULAGNGS-DLBZAZTESA-N 2 0 310.482 2.916 20 0 DFADRP CO[C@@H](C[NH2+][C@H](C)c1cccc(OCC[NH+](C)C)c1)C(C)C ZINC000269011558 207163246 /nfs/dbraw/zinc/16/32/46/207163246.db2.gz XNQLOJZECYAILT-QAPCUYQASA-N 2 0 308.466 2.949 20 0 DFADRP COCCCOc1cccc(C[NH2+]C[C@H]2CCCC[N@H+](C)C2)c1 ZINC000623656171 399436368 /nfs/dbraw/zinc/43/63/68/399436368.db2.gz OOCGMNQGXQDIAZ-GOSISDBHSA-N 2 0 320.477 2.923 20 0 DFADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC[C@H]1CCCC[NH+](C)C1 ZINC000623656542 399437411 /nfs/dbraw/zinc/43/74/11/399437411.db2.gz WNKPQWDWXVMHEJ-MISYRCLQSA-N 2 0 315.505 2.828 20 0 DFADRP COCCOc1cccc(C[NH2+]C[C@H]2CCCC[N@H+](C)C2)c1 ZINC000623656322 399437432 /nfs/dbraw/zinc/43/74/32/399437432.db2.gz RZDHWLJQLZUQII-QGZVFWFLSA-N 2 0 306.450 2.533 20 0 DFADRP Cn1cc(C[NH2+]C[C@H]2CCCC[N@H+](C)C2)c(-c2ccccc2)n1 ZINC000623657693 399438060 /nfs/dbraw/zinc/43/80/60/399438060.db2.gz WRIJIQIPLITXFU-MRXNPFEDSA-N 2 0 312.461 2.909 20 0 DFADRP C[C@@H]([NH2+]CC1(O)CC[NH+](C)CC1)c1ccccc1C(F)(F)F ZINC000269052745 207203607 /nfs/dbraw/zinc/20/36/07/207203607.db2.gz RJDQVQCDKKCNBH-GFCCVEGCSA-N 2 0 316.367 2.813 20 0 DFADRP CCO[C@@]1(C)C[C@H]1[NH2+]Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000623677849 399442500 /nfs/dbraw/zinc/44/25/00/399442500.db2.gz DAGXZZLSCYCKFW-MOPGFXCFSA-N 2 0 318.461 2.818 20 0 DFADRP COC(=O)c1csc(C[NH+]2CCC(CC[NH+](C)C)CC2)c1 ZINC000602451237 399447725 /nfs/dbraw/zinc/44/77/25/399447725.db2.gz VXZLIUYWXXKUPX-UHFFFAOYSA-N 2 0 310.463 2.698 20 0 DFADRP CC[NH+]1CCN([C@H]2CC[N@H+](Cc3ccccc3C3CC3)C2)CC1 ZINC000611269135 399454094 /nfs/dbraw/zinc/45/40/94/399454094.db2.gz YKLSTQHIBWYCRN-IBGZPJMESA-N 2 0 313.489 2.776 20 0 DFADRP O[C@@H]1CCN(CC[NH2+]Cc2ccc(-c3cccs3)cc2)C1 ZINC000623759316 399461360 /nfs/dbraw/zinc/46/13/60/399461360.db2.gz HUMDINSECCJUPG-MRXNPFEDSA-N 2 0 302.443 2.571 20 0 DFADRP C[C@@H]([NH2+][C@@H](C)c1ccc([S@@](C)=O)cc1)C1CC[NH+](C)CC1 ZINC000611337476 399463056 /nfs/dbraw/zinc/46/30/56/399463056.db2.gz OYHCTXQNVIVSDV-PXIJXODZSA-N 2 0 308.491 2.805 20 0 DFADRP CCCC[C@H](C[NH3+])NC(=O)C1CC[NH+](Cc2ccccc2)CC1 ZINC000269186072 207305315 /nfs/dbraw/zinc/30/53/15/207305315.db2.gz HUBNUBPTPQPCLW-GOSISDBHSA-N 2 0 317.477 2.532 20 0 DFADRP CCOC(=O)C1([C@H](C)[NH2+][C@@H](C)c2ccccc2C)CC[NH2+]CC1 ZINC000422741254 296324380 /nfs/dbraw/zinc/32/43/80/296324380.db2.gz DBNKXQJYNGMOIA-HOTGVXAUSA-N 2 0 318.461 2.967 20 0 DFADRP COc1cccc(C[NH2+]CC2CC[NH+](C)CC2)c1OC(F)F ZINC000065996775 184384254 /nfs/dbraw/zinc/38/42/54/184384254.db2.gz ZZBIVVZNFTUZIL-UHFFFAOYSA-N 2 0 314.376 2.728 20 0 DFADRP CC[C@H](NC[C@@H](c1ccccc1)[NH+]1CCCC1)[C@@H]1CCC[NH2+]1 ZINC000422735799 296323652 /nfs/dbraw/zinc/32/36/52/296323652.db2.gz WRXKMUUJWYAJBE-FHWLQOOXSA-N 2 0 301.478 2.944 20 0 DFADRP CCC[C@H]([NH2+]C1CCC(C[NH3+])CC1)c1nnc2ccccn21 ZINC000422735561 296323772 /nfs/dbraw/zinc/32/37/72/296323772.db2.gz FFVGCNGUZJWODK-NRXISQOPSA-N 2 0 301.438 2.678 20 0 DFADRP c1ccc2c(c1)CCC[C@@H]2[NH2+][C@@H]1CCOC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000422736458 296323812 /nfs/dbraw/zinc/32/38/12/296323812.db2.gz YBRKXKLAAHMXRA-CADBVGFASA-N 2 0 300.446 2.811 20 0 DFADRP C[C@@H]([NH2+]Cc1cccc(C[NH+]2CCC(C)CC2)c1)C1C[NH2+]C1 ZINC000422737871 296323983 /nfs/dbraw/zinc/32/39/83/296323983.db2.gz IRVRHALBNNGKGC-MRXNPFEDSA-N 3 0 301.478 2.616 20 0 DFADRP C[NH+]1CCC(CC[NH2+][C@@H]2CCN[C@H](c3ccccc3)C2)CC1 ZINC000422742243 296324348 /nfs/dbraw/zinc/32/43/48/296324348.db2.gz PUEDPSQZTYWLHA-MOPGFXCFSA-N 2 0 301.478 2.801 20 0 DFADRP COc1ccccc1[C@H](C[NH2+][C@@H](C)CCCC[NH3+])N1CCCC1 ZINC000422744008 296324851 /nfs/dbraw/zinc/32/48/51/296324851.db2.gz JMWAFLSEWXNDKF-WMZOPIPTSA-N 2 0 319.493 2.939 20 0 DFADRP COc1ccccc1[C@@H](CN[C@@H]1CCC[NH2+]CC1)[NH+]1CCCC1 ZINC000422748639 296325600 /nfs/dbraw/zinc/32/56/00/296325600.db2.gz VMAIWVSRSYHCTR-SJLPKXTDSA-N 2 0 317.477 2.564 20 0 DFADRP CCC[NH+]1CCC(C[NH2+][C@H](Cc2ccccc2)[C@H](C)[NH3+])CC1 ZINC000422746723 296325790 /nfs/dbraw/zinc/32/57/90/296325790.db2.gz XBAWSEZKNDABCD-QFBILLFUSA-N 3 0 303.494 2.657 20 0 DFADRP CCC[NH+]1CCC(C[NH2+][C@@H](C)c2ccc(C[NH3+])nc2C)CC1 ZINC000422746989 296325809 /nfs/dbraw/zinc/32/58/09/296325809.db2.gz XUZNQCOKSCDCBE-AWEZNQCLSA-N 3 0 304.482 2.621 20 0 DFADRP C[C@H](c1ccccc1)[NH+]1CCC(N[C@@H]2CCC[C@H]2C[NH3+])CC1 ZINC000422745764 296325244 /nfs/dbraw/zinc/32/52/44/296325244.db2.gz MUXNZJWGTGYJRS-HHXXYDBFSA-N 2 0 301.478 2.929 20 0 DFADRP CC[C@H](N[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1)[C@@H]1CCC[NH2+]1 ZINC000422745661 296325377 /nfs/dbraw/zinc/32/53/77/296325377.db2.gz VKMFMCAWJTWHQW-WNHJNPCNSA-N 2 0 301.478 2.942 20 0 DFADRP c1ccc(SCCC[NH2+][C@@H]2CCOC[C@@H]2[C@@H]2CCC[NH2+]2)cc1 ZINC000422750393 296326197 /nfs/dbraw/zinc/32/61/97/296326197.db2.gz DATQBZOXVYZIES-FGTMMUONSA-N 2 0 320.502 2.916 20 0 DFADRP C[C@H](Cc1cccc(Br)c1)[NH2+][C@@H](C)[C@H]1CC[NH2+]C1 ZINC000422751274 296326482 /nfs/dbraw/zinc/32/64/82/296326482.db2.gz BCTKDWITYRVULW-DYEKYZERSA-N 2 0 311.267 2.968 20 0 DFADRP Cc1cc(F)ccc1N1CCC[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000422750996 296326549 /nfs/dbraw/zinc/32/65/49/296326549.db2.gz ATRZVMYFDLBLLB-SOABOVLPSA-N 2 0 317.452 2.976 20 0 DFADRP COc1ccc([C@H](CN[C@H]2CCC[C@@H]2[NH3+])[NH+]2CCCCC2)cc1 ZINC000422755439 296327340 /nfs/dbraw/zinc/32/73/40/296327340.db2.gz HSRVYHJGYIUCDT-FHWLQOOXSA-N 2 0 317.477 2.692 20 0 DFADRP O=C1CCCCCN1CCC[NH2+][C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1 ZINC000422758713 296328097 /nfs/dbraw/zinc/32/80/97/296328097.db2.gz OFGMXSOYUHYSRT-RCCFBDPRSA-N 2 0 321.509 2.680 20 0 DFADRP C[C@H]([NH2+]CC1(c2ccc(F)cc2)CCOCC1)[C@H]1CCCC[NH2+]1 ZINC000422756775 296327752 /nfs/dbraw/zinc/32/77/52/296327752.db2.gz IADQEGQTAXTFDE-MAUKXSAKSA-N 2 0 320.452 2.994 20 0 DFADRP Cc1nc(C[NH3+])ccc1[C@@H](C)NCCC[N@@H+]1CCCC[C@H]1C ZINC000422756841 296327853 /nfs/dbraw/zinc/32/78/53/296327853.db2.gz CMGAEQGCBIRUQN-HUUCEWRRSA-N 2 0 304.482 2.764 20 0 DFADRP CC(C)CSCCC[NH2+]C1CC[NH+](CC(C)(C)O)CC1 ZINC000602577049 399480835 /nfs/dbraw/zinc/48/08/35/399480835.db2.gz NCZDBQZAPPMWJH-UHFFFAOYSA-N 2 0 302.528 2.591 20 0 DFADRP COc1ccc([C@H](CN[C@@H]2CCC[NH2+]CC2)[NH+]2CCCC2)cc1 ZINC000422760595 296328397 /nfs/dbraw/zinc/32/83/97/296328397.db2.gz QILPCFNZKBMEMK-MJGOQNOKSA-N 2 0 317.477 2.564 20 0 DFADRP C[C@H](C[C@H](C)[NH3+])NCC1([NH2+][C@H](C)c2ccccc2)CCOCC1 ZINC000422761742 296328408 /nfs/dbraw/zinc/32/84/08/296328408.db2.gz METNSPOGJHGCKR-GVDBMIGSSA-N 2 0 319.493 2.602 20 0 DFADRP COc1cccc([C@@H](C[NH2+][C@H](C)CCCC[NH3+])N2CCCC2)c1 ZINC000422761931 296328749 /nfs/dbraw/zinc/32/87/49/296328749.db2.gz NCQNDFOLQALQPR-VQIMIIECSA-N 2 0 319.493 2.939 20 0 DFADRP COc1cccc(N2CCC[C@H]([NH2+]C3CCC([NH3+])CC3)C2)c1 ZINC000422765295 296329113 /nfs/dbraw/zinc/32/91/13/296329113.db2.gz QSXMHYBLDQZBEX-GPANFISMSA-N 2 0 303.450 2.524 20 0 DFADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+][C@@H](CC[NH+](C)C)C(C)(C)C ZINC000422765785 296329776 /nfs/dbraw/zinc/32/97/76/296329776.db2.gz RGBIFAOROLELIR-PBHICJAKSA-N 3 0 306.498 2.866 20 0 DFADRP C[C@@H](CCC[NH3+])[NH2+][C@@H]1CCOc2ccc(Br)cc21 ZINC000422769234 296329926 /nfs/dbraw/zinc/32/99/26/296329926.db2.gz VIYBSSKKJLSXCE-GXFFZTMASA-N 2 0 313.239 2.990 20 0 DFADRP C[C@H](CCC[NH3+])[NH2+][C@@H]1CCOc2ccc(Br)cc21 ZINC000422769236 296329928 /nfs/dbraw/zinc/32/99/28/296329928.db2.gz VIYBSSKKJLSXCE-ZWNOBZJWSA-N 2 0 313.239 2.990 20 0 DFADRP Cc1nn(-c2ccccc2)c(C)c1C[NH2+][C@@H]1CC[NH2+]CC[C@@H]1C ZINC000422768028 296329932 /nfs/dbraw/zinc/32/99/32/296329932.db2.gz NMYNKXDLPLVHFN-IFXJQAMLSA-N 2 0 312.461 2.967 20 0 DFADRP C[C@@H](NC1(C[NH2+][C@@H](C)CCC[NH3+])CCOCC1)c1ccccc1 ZINC000422771543 296330192 /nfs/dbraw/zinc/33/01/92/296330192.db2.gz VWOQLDDGEYSBKS-DLBZAZTESA-N 2 0 319.493 2.603 20 0 DFADRP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]C[C@@H](CCO)c1ccccc1 ZINC000422775588 296331011 /nfs/dbraw/zinc/33/10/11/296331011.db2.gz BYRTZMDBTFJQCF-DBVUQKKJSA-N 2 0 312.457 2.701 20 0 DFADRP C[C@@H](CCCC[NH3+])[NH2+]CCNc1ncc(Cl)cc1Cl ZINC000422775185 296331050 /nfs/dbraw/zinc/33/10/50/296331050.db2.gz AMMOKXAIOZAUNG-JTQLQIEISA-N 2 0 305.253 2.907 20 0 DFADRP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]CCn1cnc2ccccc21 ZINC000422772839 296330617 /nfs/dbraw/zinc/33/06/17/296330617.db2.gz ZQMRWHUBDQWGHJ-MAUKXSAKSA-N 2 0 308.429 2.584 20 0 DFADRP Clc1ccccc1CC[NH2+][C@@H]1CCOC[C@H]1[C@H]1CCC[NH2+]1 ZINC000422775680 296331129 /nfs/dbraw/zinc/33/11/29/296331129.db2.gz BCWCBAUWOMVAAT-USXIJHARSA-N 2 0 308.853 2.629 20 0 DFADRP COc1ccccc1O[C@H](C)C[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000422778204 296331636 /nfs/dbraw/zinc/33/16/36/296331636.db2.gz ALHYJSJXGOJKHG-QBPKDAKJSA-N 2 0 318.461 2.973 20 0 DFADRP CC[C@H]([NH2+]C[C@@H](C)N1CC[NH+](C)CC1)c1cc(C)ccc1C ZINC000623888475 399487698 /nfs/dbraw/zinc/48/76/98/399487698.db2.gz IFTZMCQPJNNGRE-MJGOQNOKSA-N 2 0 303.494 2.980 20 0 DFADRP C[C@@H]([NH2+]CCc1ccc(OCC[NH+](C)C)cc1)[C@H]1CCCCO1 ZINC000623888956 399487880 /nfs/dbraw/zinc/48/78/80/399487880.db2.gz ZTCOTPZPAIJXNB-VQIMIIECSA-N 2 0 320.477 2.717 20 0 DFADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+][C@@H]1[C@@H]2CCCO[C@@H]2C1(C)C ZINC000422780855 296332040 /nfs/dbraw/zinc/33/20/40/296332040.db2.gz KUOBNWSEHQNLQD-SJWGOKEGSA-N 2 0 303.450 2.703 20 0 DFADRP C[C@H]([NH2+]Cc1ccc(C[NH+]2CCCC2)cc1)c1cnccc1N ZINC000422786491 296332582 /nfs/dbraw/zinc/33/25/82/296332582.db2.gz OZYIXYYPDKFSCF-HNNXBMFYSA-N 2 0 310.445 2.941 20 0 DFADRP c1ccc([C@H]2C[C@H](NCCC[NH+]3CCCCC3)CC[NH2+]2)cc1 ZINC000422790349 296333128 /nfs/dbraw/zinc/33/31/28/296333128.db2.gz TVNFJQJHTYPSGB-RTBURBONSA-N 2 0 301.478 2.945 20 0 DFADRP c1ccc(C[N@H+]2CCCC[C@H]2CNC2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000422790327 296333161 /nfs/dbraw/zinc/33/31/61/296333161.db2.gz XPSKNDNMVOSPCD-XNMUZJSGSA-N 2 0 313.489 2.914 20 0 DFADRP c1ccc([C@@H]2C[C@H](NCCC[NH+]3CCCCC3)CC[NH2+]2)cc1 ZINC000422790346 296333405 /nfs/dbraw/zinc/33/34/05/296333405.db2.gz TVNFJQJHTYPSGB-MOPGFXCFSA-N 2 0 301.478 2.945 20 0 DFADRP c1cc(C[NH+]2CCCCC2)ccc1C[NH2+][C@H]1CCC[NH2+]CC1 ZINC000422792695 296333526 /nfs/dbraw/zinc/33/35/26/296333526.db2.gz RMPVHJZJIYHVFB-IBGZPJMESA-N 3 0 301.478 2.904 20 0 DFADRP CC[C@H]([NH2+]CCCn1cnc2ccccc21)[C@H]1CCCC[NH2+]1 ZINC000422793339 296333722 /nfs/dbraw/zinc/33/37/22/296333722.db2.gz XZRQHEYZNMDIES-JKSUJKDBSA-N 2 0 300.450 2.937 20 0 DFADRP COC[C@H](CCC[NH3+])[NH2+]CCc1csc(-c2ccccc2)n1 ZINC000422794215 296334047 /nfs/dbraw/zinc/33/40/47/296334047.db2.gz YMEGZMQXZSEZIM-HNNXBMFYSA-N 2 0 319.474 2.696 20 0 DFADRP CC[NH+](CC)[C@H](CN[C@H]1C[NH2+]CC[C@@H]1C)c1cccc(OC)c1 ZINC000422795639 296334430 /nfs/dbraw/zinc/33/44/30/296334430.db2.gz IALZLNQZHXYBBP-ZYSHUDEJSA-N 2 0 319.493 2.666 20 0 DFADRP CC[NH+](CC)[C@H](CN[C@H]1CCC[NH2+]CC1)c1cccc(OC)c1 ZINC000422794835 296334068 /nfs/dbraw/zinc/33/40/68/296334068.db2.gz GYVQVPZKBZWIDT-PKOBYXMFSA-N 2 0 319.493 2.810 20 0 DFADRP C[C@H](CCC[NH3+])[NH2+]C[C@H](C)Oc1ccc(Br)cc1 ZINC000422795308 296334186 /nfs/dbraw/zinc/33/41/86/296334186.db2.gz HILGHHQNDWVVJU-NEPJUHHUSA-N 2 0 315.255 2.933 20 0 DFADRP CC[NH+](CC)[C@H](CN[C@H]1CCC[C@@H]1C[NH3+])c1cccc(OC)c1 ZINC000422797257 296334815 /nfs/dbraw/zinc/33/48/15/296334815.db2.gz LSAJRYRQZCPWON-NZSAHSFTSA-N 2 0 319.493 2.795 20 0 DFADRP Cc1nc(C[NH3+])ccc1[C@H](C)N[C@H]1CC[N@H+](CC2CCCC2)C1 ZINC000422798339 296334836 /nfs/dbraw/zinc/33/48/36/296334836.db2.gz QRRXJENDEAEOTP-YJBOKZPZSA-N 2 0 316.493 2.764 20 0 DFADRP C[C@@H]([NH3+])C[C@H](C)[NH2+]CC1(c2ccc3c(c2)OCCO3)CCCC1 ZINC000422798359 296334987 /nfs/dbraw/zinc/33/49/87/296334987.db2.gz QTWHDEWJXFJYLQ-CABCVRRESA-N 2 0 318.461 2.985 20 0 DFADRP C[C@H](NCc1ccc(C[NH+]2CCCCC2)cc1)[C@@H]1CCC[NH2+]1 ZINC000422797125 296334998 /nfs/dbraw/zinc/33/49/98/296334998.db2.gz ZWMWAMHJPWMGGY-LPHOPBHVSA-N 2 0 301.478 2.903 20 0 DFADRP C[C@H](C[NH2+][C@@H]1CCC[C@@H]1[NH3+])Oc1cccc(Br)c1 ZINC000422798816 296335204 /nfs/dbraw/zinc/33/52/04/296335204.db2.gz SXUFBHAFESTNTK-DDTOSNHZSA-N 2 0 313.239 2.686 20 0 DFADRP CC[C@@H]1Oc2cc([C@@H](C)[NH2+]C3CCC([NH3+])CC3)ccc2NC1=O ZINC000422802156 296335684 /nfs/dbraw/zinc/33/56/84/296335684.db2.gz BAGWBYKGVLUGSL-QCTRAFQOSA-N 2 0 317.433 2.717 20 0 DFADRP COc1ccc(C[NH2+][C@H]2CC[NH2+]CC[C@@H]2C)cc1OC(F)F ZINC000422803607 296335776 /nfs/dbraw/zinc/33/57/76/296335776.db2.gz CZRQANBHQIVUAY-AAEUAGOBSA-N 2 0 314.376 2.774 20 0 DFADRP C[C@@H]([NH2+]C1CCC([NH3+])CC1)c1ccc(NC(=O)C2CC2)cc1 ZINC000422810469 296337349 /nfs/dbraw/zinc/33/73/49/296337349.db2.gz UHIHAZFGKOWZFJ-UWTIGNOOSA-N 2 0 301.434 2.956 20 0 DFADRP C[C@H]([NH3+])[C@H]1COCC[C@@H]1[NH2+]CCOc1ccc2ccccc2c1 ZINC000422809960 296336900 /nfs/dbraw/zinc/33/69/00/296336900.db2.gz MVBFYVGZTVDHGC-KYNGSXCRSA-N 2 0 314.429 2.561 20 0 DFADRP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1[NH2+]CCOc1ccc2ccccc2c1 ZINC000422809959 296336989 /nfs/dbraw/zinc/33/69/89/296336989.db2.gz MVBFYVGZTVDHGC-JVPBZIDWSA-N 2 0 314.429 2.561 20 0 DFADRP COc1ccc(OC)c(C[NH2+][C@@H](C)c2ccc(C[NH3+])nc2C)c1 ZINC000422806201 296336620 /nfs/dbraw/zinc/33/66/20/296336620.db2.gz MZBWYWDVRIUPQZ-LBPRGKRZSA-N 2 0 315.417 2.717 20 0 DFADRP CCOC(=O)C1([C@H](C)[NH2+][C@H](C)Cc2cccs2)CC[NH2+]CC1 ZINC000422813647 296337801 /nfs/dbraw/zinc/33/78/01/296337801.db2.gz YJFCVFDETHREHR-KGLIPLIRSA-N 2 0 324.490 2.590 20 0 DFADRP C[NH+](C)Cc1cccc(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)c1 ZINC000422811093 296337404 /nfs/dbraw/zinc/33/74/04/296337404.db2.gz TZLNCYDFXTYYJU-CEXWTWQISA-N 3 0 301.478 2.759 20 0 DFADRP CC(C)(C[NH2+][C@H]1CCCCC[C@@H]1[NH3+])c1ccc2c(c1)OCCO2 ZINC000422819821 296338920 /nfs/dbraw/zinc/33/89/20/296338920.db2.gz IYTPTQNYVMTXKK-HOTGVXAUSA-N 2 0 318.461 2.985 20 0 DFADRP CN(CC[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1)Cc1ccc(F)cc1 ZINC000422820162 296339083 /nfs/dbraw/zinc/33/90/83/296339083.db2.gz PFMMJFHKKDCCBV-IPMKNSEASA-N 2 0 319.468 2.768 20 0 DFADRP C[C@@H]1C[N@H+](Cc2ccc(C(=O)Nc3ccccc3)cc2)C[C@@H]1C[NH3+] ZINC000631841421 399506576 /nfs/dbraw/zinc/50/65/76/399506576.db2.gz KKGPDCTYYSEGHU-QAPCUYQASA-N 2 0 323.440 2.966 20 0 DFADRP CCN(CC)C(=O)c1ccc(C[NH2+][C@@H]2CC[NH2+]CC[C@@H]2C)cc1 ZINC000422816528 296338590 /nfs/dbraw/zinc/33/85/90/296338590.db2.gz ZZVRBGKKUCRKTD-MAUKXSAKSA-N 2 0 317.477 2.646 20 0 DFADRP CCS[C@@H]1CCC[C@H]([NH2+][C@@H]2CCOC[C@H]2[C@@H]2CCC[NH2+]2)C1 ZINC000422818196 296338676 /nfs/dbraw/zinc/33/86/76/296338676.db2.gz JSLHHWMPXIDAFT-BQJWPVKWSA-N 2 0 312.523 2.797 20 0 DFADRP C[NH+](C)[C@]1(CN[C@H]2CC[NH2+][C@H](c3ccccc3)C2)CCSC1 ZINC000422817831 296338707 /nfs/dbraw/zinc/33/87/07/296338707.db2.gz DXDIPCFKYYKWSU-BZSNNMDCSA-N 2 0 319.518 2.507 20 0 DFADRP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]Cc1cccnc1OCC(F)(F)F ZINC000422823681 296339583 /nfs/dbraw/zinc/33/95/83/296339583.db2.gz DWCDHTHWCGLBHZ-WCQYABFASA-N 2 0 317.355 2.630 20 0 DFADRP CC[C@H](NCc1ccccc1OCC[NH+](C)C)[C@@H]1CCCC[NH2+]1 ZINC000422824845 296339683 /nfs/dbraw/zinc/33/96/83/296339683.db2.gz OQSDYOQIAHEZFJ-ROUUACIJSA-N 2 0 319.493 2.637 20 0 DFADRP CC(C)(C[NH2+][C@H]1CCCCC[C@@H]1[NH3+])c1ccc2c(c1)OCO2 ZINC000422823647 296339768 /nfs/dbraw/zinc/33/97/68/296339768.db2.gz MBKJONUQPSACKY-GJZGRUSLSA-N 2 0 304.434 2.943 20 0 DFADRP C[C@H]1CC[NH2+]CC[C@H]1[NH2+]CCc1ccccc1Br ZINC000422825350 296339992 /nfs/dbraw/zinc/33/99/92/296339992.db2.gz JOQOUPSCFMTRKS-SWLSCSKDSA-N 2 0 311.267 2.969 20 0 DFADRP c1c(CC[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)nc2n1CCCC2 ZINC000422830088 296341014 /nfs/dbraw/zinc/34/10/14/296341014.db2.gz HYVOJRSGMIEDDD-OKZBNKHCSA-N 2 0 316.493 2.662 20 0 DFADRP [NH3+]C1CCC([NH2+]C[C@@H]2CCCN(Cc3cccs3)C2)CC1 ZINC000422831309 296341034 /nfs/dbraw/zinc/34/10/34/296341034.db2.gz DPQSEFFYCBIONG-FHERZECASA-N 2 0 307.507 2.820 20 0 DFADRP CC[C@H]([NH2+]CC(C)(C)c1ccc2c(c1)OCO2)[C@@H]1CCC[NH2+]1 ZINC000422830612 296341123 /nfs/dbraw/zinc/34/11/23/296341123.db2.gz VXJHFIQDPWDIGG-GJZGRUSLSA-N 2 0 304.434 2.813 20 0 DFADRP Cc1ccc([C@@H](CN[C@@H](C)[C@@H]2CCC[NH2+]2)[NH+]2CCCC2)cc1 ZINC000422826730 296340336 /nfs/dbraw/zinc/34/03/36/296340336.db2.gz LYLIHVUDRVMDNV-YTQUADARSA-N 2 0 301.478 2.862 20 0 DFADRP C[C@H](Cc1ccncc1)[NH2+][C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422839592 296342253 /nfs/dbraw/zinc/34/22/53/296342253.db2.gz QTYQDZQJWMZXIH-XFQXTVEOSA-N 2 0 323.440 2.858 20 0 DFADRP C[C@@H]([NH2+]Cc1ccc(-c2ccc3c(c2)CCO3)cc1)C1C[NH2+]C1 ZINC000422832853 296341499 /nfs/dbraw/zinc/34/14/99/296341499.db2.gz GHQDDAJXKIXLRB-CQSZACIVSA-N 2 0 308.425 2.986 20 0 DFADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]CC(C)(C)c1ccc2c(c1)OCCO2 ZINC000422834613 296341754 /nfs/dbraw/zinc/34/17/54/296341754.db2.gz ZVUJSDLXXACFJK-GDBMZVCRSA-N 2 0 318.461 2.713 20 0 DFADRP C[C@H]1CC[NH2+]CC[C@@H]1[NH2+]CC(C)(C)c1ccc2c(c1)OCCO2 ZINC000422834615 296341806 /nfs/dbraw/zinc/34/18/06/296341806.db2.gz ZVUJSDLXXACFJK-HOCLYGCPSA-N 2 0 318.461 2.713 20 0 DFADRP C[C@H](NC[C@H]1CCC[N@H+](Cc2cccs2)C1)[C@@H]1CCC[NH2+]1 ZINC000422834948 296341871 /nfs/dbraw/zinc/34/18/71/296341871.db2.gz HZWQVDBPUJQBGD-UXLLHSPISA-N 2 0 307.507 2.690 20 0 DFADRP CC[NH+](CC)[C@@H](CN[C@H]1CCC[NH2+]CC1)Cc1ccccc1 ZINC000422836739 296342169 /nfs/dbraw/zinc/34/21/69/296342169.db2.gz RWUXJWSUVWFGCF-RBUKOAKNSA-N 2 0 303.494 2.671 20 0 DFADRP C[C@H]([NH2+]C[C@@H]1CCCN(Cc2cccs2)C1)[C@H]1CC[NH2+]C1 ZINC000422841265 296342562 /nfs/dbraw/zinc/34/25/62/296342562.db2.gz VLGDPXXIHVDXCT-JYJNAYRXSA-N 2 0 307.507 2.548 20 0 DFADRP C[C@H]([NH3+])[C@@H]1COCC[C@H]1[NH2+]CC1(c2ccc(F)cc2)CCC1 ZINC000422841418 296342742 /nfs/dbraw/zinc/34/27/42/296342742.db2.gz CYNDZILFAMIEIM-RRQGHBQHSA-N 2 0 306.425 2.589 20 0 DFADRP C[C@H](N[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1)[C@H]1CCC[NH2+]1 ZINC000422841320 296342799 /nfs/dbraw/zinc/34/27/99/296342799.db2.gz VSEHOTSKVPOMNP-PBWTXFEYSA-N 2 0 301.478 2.770 20 0 DFADRP COc1cc(C)c([C@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1OC ZINC000422855778 296345565 /nfs/dbraw/zinc/34/55/65/296345565.db2.gz FDXQXCBKEINUAC-RDGKXADDSA-N 2 0 304.434 2.946 20 0 DFADRP Cc1cc(C)n(-c2ccc(CC[NH2+]C3CCC([NH3+])CC3)cc2)n1 ZINC000422856188 296345569 /nfs/dbraw/zinc/34/55/69/296345569.db2.gz FSKCHVITZRBEKH-UHFFFAOYSA-N 2 0 312.461 2.891 20 0 DFADRP C[C@H](C[C@H](C)[NH3+])[NH2+]Cc1ccc(NC(=O)c2cccnc2)cc1 ZINC000422850957 296344721 /nfs/dbraw/zinc/34/47/21/296344721.db2.gz WKOUBRIOEMJRLE-UONOGXRCSA-N 2 0 312.417 2.549 20 0 DFADRP C[C@@H]1CCCC[N@@H+]1CCN[C@H]1CC[NH2+][C@H](c2ccccc2)C1 ZINC000422862932 296346838 /nfs/dbraw/zinc/34/68/38/296346838.db2.gz OFQDEEGBKVUJSI-NEWSRXKRSA-N 2 0 301.478 2.944 20 0 DFADRP C[C@@H]1CCCC[N@@H+]1CCN[C@@H]1CC[NH2+][C@H](c2ccccc2)C1 ZINC000422862934 296346872 /nfs/dbraw/zinc/34/68/72/296346872.db2.gz OFQDEEGBKVUJSI-QRQLOZEOSA-N 2 0 301.478 2.944 20 0 DFADRP CC[C@H](C(=O)N[C@](C)(C[NH3+])CC(C)C)[N@H+](C)Cc1ccccc1 ZINC000422866365 296346967 /nfs/dbraw/zinc/34/69/67/296346967.db2.gz QIGGHFLFHNFGSV-MJGOQNOKSA-N 2 0 319.493 2.777 20 0 DFADRP CCCCOc1ccc(C[NH2+][C@H](C)[C@H]2CC[NH2+]C2)cc1OC ZINC000422858111 296345937 /nfs/dbraw/zinc/34/59/37/296345937.db2.gz ILGJISVYJHYCGM-ZBFHGGJFSA-N 2 0 306.450 2.962 20 0 DFADRP COc1ccc(C(C)(C)C[NH2+][C@@H]2CCC[C@H]2C[NH3+])cc1OC ZINC000422858215 296345947 /nfs/dbraw/zinc/34/59/47/296345947.db2.gz ICEDWYFXVLHCAT-DZGCQCFKSA-N 2 0 306.450 2.698 20 0 DFADRP [NH3+][C@H]1C[C@H]([NH2+]C2CCN(CC(F)(F)F)CC2)c2ccccc21 ZINC000422859153 296346214 /nfs/dbraw/zinc/34/62/14/296346214.db2.gz JQPSCCFVLSEZQC-GJZGRUSLSA-N 2 0 313.367 2.748 20 0 DFADRP C[C@H](N[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1)[C@H]1CCC[NH2+]C1 ZINC000422872820 296348159 /nfs/dbraw/zinc/34/81/59/296348159.db2.gz ITQQVDPBRSXMMU-KCITZHQASA-N 2 0 301.478 2.627 20 0 DFADRP Cc1ccc(C[NH2+][C@@H]2CCOC[C@@H]2[C@H](C)[NH3+])c(OCC2CC2)c1 ZINC000422866185 296347237 /nfs/dbraw/zinc/34/72/37/296347237.db2.gz QAJXJPPVIHCUCM-BMGDILEWSA-N 2 0 318.461 2.626 20 0 DFADRP CN(CCC[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1)CC(F)(F)F ZINC000422867696 296347517 /nfs/dbraw/zinc/34/75/17/296347517.db2.gz SZACFWNZVFVLAU-SOUVJXGZSA-N 2 0 321.431 2.771 20 0 DFADRP Cc1ccc([C@H](C[NH2+][C@@H]2CCCC[C@@H]2C[NH3+])N2CCCC2)o1 ZINC000422876988 296349069 /nfs/dbraw/zinc/34/90/69/296349069.db2.gz HCUIVISAZFEWIJ-ZACQAIPSSA-N 2 0 305.466 2.832 20 0 DFADRP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1[NH2+]CC1(c2ccc(F)cc2)CCCC1 ZINC000422880396 296349269 /nfs/dbraw/zinc/34/92/69/296349269.db2.gz OAHAKSDVKYKBOX-WBAXXEDZSA-N 2 0 320.452 2.979 20 0 DFADRP C[C@H]([NH2+]C1CCC([NH3+])CC1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000422874062 296348287 /nfs/dbraw/zinc/34/82/87/296348287.db2.gz CAVDKCKPXMKQFL-GRTSSRMGSA-N 2 0 316.449 2.891 20 0 DFADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]Cc1ccc(N2CCCCC2)nc1 ZINC000422875205 296348746 /nfs/dbraw/zinc/34/87/46/296348746.db2.gz CFTBYEGPYLFTPJ-WBVHZDCISA-N 2 0 302.466 2.550 20 0 DFADRP COC1CC[NH+](C2(CN[C@H](C)[C@H]3CCCC[NH2+]3)CCCC2)CC1 ZINC000422882404 296349899 /nfs/dbraw/zinc/34/98/99/296349899.db2.gz AQFMRQIUBBYJKQ-SJLPKXTDSA-N 2 0 323.525 2.530 20 0 DFADRP COc1cc([C@H](C)[NH2+][C@H](C)[C@H]2CCC[NH2+]C2)cc(OC)c1OC ZINC000422883773 296350106 /nfs/dbraw/zinc/35/01/06/296350106.db2.gz RBPRXDBRECHFRC-RDBSUJKOSA-N 2 0 322.449 2.751 20 0 DFADRP CC[C@@H](C(=O)NCC([NH3+])(CC)CC)[N@H+](C)Cc1ccccc1 ZINC000422883798 296350235 /nfs/dbraw/zinc/35/02/35/296350235.db2.gz VOEMUGXGRDSETC-INIZCTEOSA-N 2 0 305.466 2.531 20 0 DFADRP Cc1ccc([C@H](C[NH2+][C@H]2CC[NH2+]CC[C@H]2C)N2CCCC2)o1 ZINC000422881156 296349729 /nfs/dbraw/zinc/34/97/29/296349729.db2.gz PQAPLZVNNJJCHR-PVAVHDDUSA-N 2 0 305.466 2.703 20 0 DFADRP Cc1ccccc1C1(C[NH2+][C@@H](C)[C@H]2CCC[NH2+]2)CCOCC1 ZINC000422881164 296349755 /nfs/dbraw/zinc/34/97/55/296349755.db2.gz PREPSSXNEPEKTI-FUHWJXTLSA-N 2 0 302.462 2.773 20 0 DFADRP Cc1ccc(C[NH2+][C@H](C)C[C@H](C)[NH3+])c(OC[C@@H]2CCCO2)c1 ZINC000422881872 296349796 /nfs/dbraw/zinc/34/97/96/296349796.db2.gz ZKUBJVWPNQISNL-UXLLHSPISA-N 2 0 306.450 2.768 20 0 DFADRP COC1CCN(C2(C[NH2+][C@H](C)CCCC[NH3+])CCCC2)CC1 ZINC000422891939 296351578 /nfs/dbraw/zinc/35/15/78/296351578.db2.gz WXXHPBFDOFXVJT-MRXNPFEDSA-N 2 0 311.514 2.517 20 0 DFADRP COc1ccc(C)cc1C1(C[NH2+][C@H](C)CCC[NH3+])CCOCC1 ZINC000422899916 296352791 /nfs/dbraw/zinc/35/27/91/296352791.db2.gz PMOYRMSJFGLQNW-MRXNPFEDSA-N 2 0 320.477 2.769 20 0 DFADRP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+]C[C@H]1CCN(c2ccc(F)cc2)C1 ZINC000422898683 296352862 /nfs/dbraw/zinc/35/28/62/296352862.db2.gz MQZVJTFETHQVCH-OLMNPRSZSA-N 2 0 305.441 2.902 20 0 DFADRP CC[C@H](C)[N@H+](C)CCN[C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422901409 296353179 /nfs/dbraw/zinc/35/31/79/296353179.db2.gz BZYFBDBVQGFCDI-IEZWGBDMSA-N 2 0 317.477 2.562 20 0 DFADRP [NH3+]CC1CCC([NH2+]Cc2ccnc(N3CCCCC3)c2)CC1 ZINC000422900541 296353212 /nfs/dbraw/zinc/35/32/12/296353212.db2.gz QQEYESTYEXRWDF-UHFFFAOYSA-N 2 0 302.466 2.679 20 0 DFADRP C[C@H]([NH3+])[C@@H]1COCC[C@H]1[NH2+]CC1(Sc2ccccc2)CC1 ZINC000422902492 296353313 /nfs/dbraw/zinc/35/33/13/296353313.db2.gz DKFFYECFEMCGMP-CWRNSKLLSA-N 2 0 306.475 2.653 20 0 DFADRP COc1ccc(COCCC[NH2+][C@H]2CCCC[C@H]2C[NH3+])cc1 ZINC000422902925 296353345 /nfs/dbraw/zinc/35/33/45/296353345.db2.gz FBJJHJSCNQDVEV-WMZOPIPTSA-N 2 0 306.450 2.709 20 0 DFADRP Cc1ccccc1C[NH+]1CCC(N[C@H](C)[C@@H]2CC[NH2+]C2)CC1 ZINC000422902125 296353402 /nfs/dbraw/zinc/35/34/02/296353402.db2.gz TUBHYUJKQBRBQN-IAGOWNOFSA-N 2 0 301.478 2.547 20 0 DFADRP CC(C)COc1cccc(C[NH2+][C@@H]2CCOC[C@H]2[C@H](C)[NH3+])c1 ZINC000422902662 296353478 /nfs/dbraw/zinc/35/34/78/296353478.db2.gz UXNJQYQYXAFUHT-JCGIZDLHSA-N 2 0 306.450 2.563 20 0 DFADRP CCCOc1ccc(C[NH2+][C@@H]2CCOC[C@@H]2[C@H]2CCC[NH2+]2)cc1 ZINC000422902212 296353514 /nfs/dbraw/zinc/35/35/14/296353514.db2.gz UDNIENMQCCWIIE-GUDVDZBRSA-N 2 0 318.461 2.722 20 0 DFADRP Cc1ccccc1CN1CCC([NH2+]C2CCC([NH3+])CC2)CC1 ZINC000422894260 296351835 /nfs/dbraw/zinc/35/18/35/296351835.db2.gz BWGZWPUUFCQRKN-UHFFFAOYSA-N 2 0 301.478 2.819 20 0 DFADRP C[C@H]([NH2+]Cc1ccccc1C[N@H+]1C[C@H](C)C[C@H](C)C1)C1C[NH2+]C1 ZINC000422893985 296351837 /nfs/dbraw/zinc/35/18/37/296351837.db2.gz RXEYBXZEKKSSCO-BBWFWOEESA-N 3 0 315.505 2.862 20 0 DFADRP C[C@@H]([NH2+]Cc1ccccc1C[NH+]1C[C@H](C)C[C@@H](C)C1)C1C[NH2+]C1 ZINC000422893986 296351855 /nfs/dbraw/zinc/35/18/55/296351855.db2.gz RXEYBXZEKKSSCO-BRWVUGGUSA-N 3 0 315.505 2.862 20 0 DFADRP CC[NH+](CC)CCOc1ccc(CN[C@H](C)[C@H]2CCC[NH2+]2)cc1 ZINC000422896315 296352202 /nfs/dbraw/zinc/35/22/02/296352202.db2.gz XQNAUXNEEWDMQZ-VQIMIIECSA-N 2 0 319.493 2.637 20 0 DFADRP Cc1ccccc1C1(C[NH2+][C@@H]2CCOC[C@H]2[C@@H]2CCC[NH2+]2)CC1 ZINC000422898596 296352481 /nfs/dbraw/zinc/35/24/81/296352481.db2.gz FPXGGJDOGXKWIA-YTQUADARSA-N 2 0 314.473 2.773 20 0 DFADRP Cc1nccn1-c1ccc(C[NH2+][C@@H]2CCCC[C@H]2C[NH3+])cc1F ZINC000422904431 296353699 /nfs/dbraw/zinc/35/36/99/296353699.db2.gz PYCPUPZVOZJRON-DOTOQJQBSA-N 2 0 316.424 2.927 20 0 DFADRP COc1ccc(Cl)cc1N1CC[C@@H]([NH2+][C@@H]2CCC[NH2+]CC2)C1 ZINC000422907246 296354270 /nfs/dbraw/zinc/35/42/70/296354270.db2.gz LFCFABODVKURDI-HUUCEWRRSA-N 2 0 323.868 2.659 20 0 DFADRP COc1ccc(Cl)cc1N1CC[C@@H]([NH2+]C2CCC([NH3+])CC2)C1 ZINC000422909351 296354540 /nfs/dbraw/zinc/35/45/40/296354540.db2.gz NVDGFXBJRKSPBO-YMAMQOFZSA-N 2 0 323.868 2.787 20 0 DFADRP CCC[C@@H]([NH2+][C@@H](C)CCC[NH3+])C(=O)N1CCc2sccc2C1 ZINC000422908162 296354594 /nfs/dbraw/zinc/35/45/94/296354594.db2.gz LZFVAHAERMKMIK-DZGCQCFKSA-N 2 0 323.506 2.519 20 0 DFADRP C(NC1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@H]1CCC[N@@H+]1CC1CCCCC1 ZINC000422909710 296354694 /nfs/dbraw/zinc/35/46/94/296354694.db2.gz OVFAXEUEYOGZOK-ZZJWQFMZSA-N 2 0 305.510 2.904 20 0 DFADRP CCOC(=O)C1([C@@H](C)[NH2+]CC(C)(C)CC(C)C)CC[NH2+]CC1 ZINC000422919572 296355836 /nfs/dbraw/zinc/35/58/36/296355836.db2.gz KARIHJYHCDZKDA-OAHLLOKOSA-N 2 0 312.498 2.970 20 0 DFADRP C[C@H]1C[C@H](N(C)c2nc3ccccc3n3cncc23)CC[N@@H+]1C ZINC000623992007 399516092 /nfs/dbraw/zinc/51/60/92/399516092.db2.gz ZCGHJNQHJDBLPB-UONOGXRCSA-N 2 0 309.417 2.801 20 0 DFADRP [NH3+]C[C@@H]1CCC[C@H]1[NH2+]CCOc1cccc(C(F)(F)F)c1 ZINC000422929938 296356752 /nfs/dbraw/zinc/35/67/52/296356752.db2.gz ALFGFFMZQKVFGF-SMDDNHRTSA-N 2 0 302.340 2.801 20 0 DFADRP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1[NH2+]CCOc1ccc(C(C)(C)C)cc1 ZINC000422929772 296356944 /nfs/dbraw/zinc/35/69/44/296356944.db2.gz RMKUMOOUCFHVTB-WBAXXEDZSA-N 2 0 320.477 2.705 20 0 DFADRP Cc1cccc(C)c1CC[NH2+][C@@H]1CCOC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000422933777 296357318 /nfs/dbraw/zinc/35/73/18/296357318.db2.gz DTMRYGITYKBUMG-CEXWTWQISA-N 2 0 302.462 2.593 20 0 DFADRP CC[C@@H]([NH2+]CCCOc1cccc(OC)c1)[C@H]1CCCC[NH2+]1 ZINC000422926881 296356331 /nfs/dbraw/zinc/35/63/31/296356331.db2.gz XTEDSRZYYSBKMD-QZTJIDSGSA-N 2 0 306.450 2.974 20 0 DFADRP c1ccc2c(c1)SCC[C@@H]2[NH2+][C@@H]1CCOC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000422928753 296356373 /nfs/dbraw/zinc/35/63/73/296356373.db2.gz MKOISKOVLSJSOA-VQHPVUNQSA-N 2 0 318.486 2.970 20 0 DFADRP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+]CCCc1ccc2c(c1)OCCO2 ZINC000422928509 296356399 /nfs/dbraw/zinc/35/63/99/296356399.db2.gz KVZUEEXFSPOZGE-CVEARBPZSA-N 2 0 304.434 2.640 20 0 DFADRP C[C@@H]([NH2+]CCOc1cccc(C(F)(F)F)c1)[C@@H]1CC[NH2+]C1 ZINC000422939233 296358198 /nfs/dbraw/zinc/35/81/98/296358198.db2.gz IABBKMYIIPZWKZ-VXGBXAGGSA-N 2 0 302.340 2.672 20 0 DFADRP [NH3+]C1CCC([NH2+]CCc2ccc(F)c(Br)c2)CC1 ZINC000422939828 296358215 /nfs/dbraw/zinc/35/82/15/296358215.db2.gz RYEFOIYDYHTFHV-UHFFFAOYSA-N 2 0 315.230 2.990 20 0 DFADRP C[C@H](CCC[NH3+])[NH2+]CCc1ccc(F)c(Br)c1 ZINC000422936011 296357578 /nfs/dbraw/zinc/35/75/78/296357578.db2.gz LSDSQTCHNQWUDN-SNVBAGLBSA-N 2 0 303.219 2.848 20 0 DFADRP CC(C)[C@H](CN[C@@H](C)[C@H]1CC[NH2+]C1)[N@@H+]1CCc2ccccc2C1 ZINC000422935691 296357649 /nfs/dbraw/zinc/35/76/49/296357649.db2.gz HKQKJQLOFFYEKG-QRFRQXIXSA-N 2 0 315.505 2.657 20 0 DFADRP C[C@H]([NH3+])[C@@H]1COCC[C@H]1[NH2+]CCOc1cccc2ccccc21 ZINC000422936599 296357839 /nfs/dbraw/zinc/35/78/39/296357839.db2.gz FJJJMIALOOKZKK-JCGIZDLHSA-N 2 0 314.429 2.561 20 0 DFADRP C[C@H]([NH2+][C@@H](C)[C@H]1CCC[NH2+]C1)c1ccc2c(c1)OCCCO2 ZINC000422944376 296358993 /nfs/dbraw/zinc/35/89/93/296358993.db2.gz RWRWJCPPQHNYQK-DZKIICNBSA-N 2 0 304.434 2.887 20 0 DFADRP CC[C@H]([NH2+][C@H]1CC[NH2+]CC[C@@H]1C)c1ccc2c(c1)OCCO2 ZINC000422947107 296359206 /nfs/dbraw/zinc/35/92/06/296359206.db2.gz PXKFEGHKOVBHHM-BPUTZDHNSA-N 2 0 304.434 2.887 20 0 DFADRP Clc1ccc(CC[NH2+][C@@H]2CCOC[C@@H]2[C@H]2CCC[NH2+]2)s1 ZINC000422946999 296359374 /nfs/dbraw/zinc/35/93/74/296359374.db2.gz XPFSDGNKQKDPNB-MGPQQGTHSA-N 2 0 314.882 2.691 20 0 DFADRP C[C@@H]([NH3+])C[C@@H](C)[NH2+]CCOc1ccc(Br)cc1 ZINC000422948226 296359613 /nfs/dbraw/zinc/35/96/13/296359613.db2.gz RNNSVSKBMAPJOD-GHMZBOCLSA-N 2 0 301.228 2.543 20 0 DFADRP C[C@H](C[C@H](C)[NH3+])[NH2+]CCOc1ccc(Br)cc1 ZINC000422948231 296359687 /nfs/dbraw/zinc/35/96/87/296359687.db2.gz RNNSVSKBMAPJOD-WDEREUQCSA-N 2 0 301.228 2.543 20 0 DFADRP C[C@@H]([NH3+])C[C@H](C)[NH2+]CCOc1cccc(Br)c1 ZINC000422949351 296359766 /nfs/dbraw/zinc/35/97/66/296359766.db2.gz TUCVISYVZTZCBE-MNOVXSKESA-N 2 0 301.228 2.543 20 0 DFADRP C[C@@H]([NH2+]CCc1coc(-c2ccc(F)cc2)n1)[C@H]1CC[NH2+]C1 ZINC000422945806 296358827 /nfs/dbraw/zinc/35/88/27/296358827.db2.gz NYBGNJBRNFOZBM-OCCSQVGLSA-N 2 0 303.381 2.611 20 0 DFADRP C[NH+](C)CCCN(CCC[NH+](C)C)c1nc2cccc(F)c2o1 ZINC000624016676 399523855 /nfs/dbraw/zinc/52/38/55/399523855.db2.gz AOKLVNJDLOTKAV-UHFFFAOYSA-N 2 0 322.428 2.677 20 0 DFADRP [NH3+][C@H]1CCC[C@H]1[NH2+]CCCc1nc(-c2ccncc2)cs1 ZINC000422958222 296360892 /nfs/dbraw/zinc/36/08/92/296360892.db2.gz XCXXCTOGWWUGHT-UONOGXRCSA-N 2 0 302.447 2.607 20 0 DFADRP [NH3+]C1CCC([NH2+]CCc2coc(-c3ccc(F)cc3)n2)CC1 ZINC000422951463 296360003 /nfs/dbraw/zinc/36/00/03/296360003.db2.gz YQEYEQVFJRFQON-UHFFFAOYSA-N 2 0 303.381 2.883 20 0 DFADRP CCOC(=O)C1([C@H](C)[NH2+][C@@H](C)c2ccc(C)o2)CC[NH2+]CC1 ZINC000422961911 296361240 /nfs/dbraw/zinc/36/12/40/296361240.db2.gz DFWFRTXWTPHKMR-KBPBESRZSA-N 2 0 308.422 2.560 20 0 DFADRP CC(C)(CO)[C@H](C[NH2+][C@@H]1CCCC[C@H]1C[NH3+])c1ccccc1 ZINC000422962236 296361247 /nfs/dbraw/zinc/36/12/47/296361247.db2.gz CFHYALHOBLTUMJ-RCCFBDPRSA-N 2 0 304.478 2.896 20 0 DFADRP CCOC(=O)[C@H](CC(C)C)[N@@H+]1CCC[C@H](n2ccnc2C)C1 ZINC000611782766 399525454 /nfs/dbraw/zinc/52/54/54/399525454.db2.gz AVMBUCJYVZCYLS-HOTGVXAUSA-N 2 0 307.438 2.806 20 0 DFADRP CC[C@H](CN[C@H]1CC[NH2+][C@@H](c2ccccc2)C1)[NH+]1CCCC1 ZINC000422961368 296361444 /nfs/dbraw/zinc/36/14/44/296361444.db2.gz BLUNGACYFYDSOG-IPMKNSEASA-N 2 0 301.478 2.944 20 0 DFADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]C[C@H](c1ccccc1)C(C)(C)CO ZINC000422962626 296361613 /nfs/dbraw/zinc/36/16/13/296361613.db2.gz CXNLHWFNPGAYPP-NXHRZFHOSA-N 2 0 304.478 2.766 20 0 DFADRP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]C[C@@H](c1ccco1)N1CCCCC1 ZINC000422963135 296361668 /nfs/dbraw/zinc/36/16/68/296361668.db2.gz HQAVAGGODPSRMF-BBWFWOEESA-N 2 0 305.466 2.914 20 0 DFADRP C[C@@H](NC[C@@H](c1ccco1)[NH+]1CCCCC1)[C@H]1CCCC[NH2+]1 ZINC000422967925 296362730 /nfs/dbraw/zinc/36/27/30/296362730.db2.gz UZJBNXFMYNYWBK-ZACQAIPSSA-N 2 0 305.466 2.927 20 0 DFADRP CC(C)Oc1ccc(C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)cn1 ZINC000422969877 296363040 /nfs/dbraw/zinc/36/30/40/296363040.db2.gz DUJFYABUNABPPI-GVDBMIGSSA-N 2 0 303.450 2.879 20 0 DFADRP CCC[N@@H+]1CC[C@H](CN[C@H]2CC[NH2+][C@@H](c3ccccc3)C2)C1 ZINC000422976097 296363279 /nfs/dbraw/zinc/36/32/79/296363279.db2.gz UQFVVDQSCBCTMO-NZSAHSFTSA-N 3 0 301.478 2.801 20 0 DFADRP O=C(NCCCCC[NH+]1CCCCC1)c1ccc2c(c1)C[NH2+]C2 ZINC000347543695 285075759 /nfs/dbraw/zinc/07/57/59/285075759.db2.gz YQTKMZJNHNKNKL-UHFFFAOYSA-N 2 0 315.461 2.676 20 0 DFADRP Cc1nc(C[NH3+])ccc1[C@@H](C)NC[C@H](C(C)C)[NH+]1CCCC1 ZINC000422969004 296362397 /nfs/dbraw/zinc/36/23/97/296362397.db2.gz YKLYIYCBPLHJAZ-RDTXWAMCSA-N 2 0 304.482 2.620 20 0 DFADRP C[C@H](CCCC[NH3+])[NH2+]CCNc1cccc(Br)c1 ZINC000422969271 296362493 /nfs/dbraw/zinc/36/24/93/296362493.db2.gz ZKVMXWOQQZLOHD-GFCCVEGCSA-N 2 0 314.271 2.968 20 0 DFADRP CCC(CC)[C@H](CN[C@@H](C)c1ccc(C[NH3+])nc1C)[NH+](C)C ZINC000422968601 296362509 /nfs/dbraw/zinc/36/25/09/296362509.db2.gz XGSFSLLCJDHNTE-UGSOOPFHSA-N 2 0 306.498 2.866 20 0 DFADRP C[C@H](CCC[NH3+])[NH2+]C[C@@H](CO)Cc1ccccc1C(F)(F)F ZINC000422986657 296364220 /nfs/dbraw/zinc/36/42/20/296364220.db2.gz DBTRQPWOPADDDS-OLZOCXBDSA-N 2 0 318.383 2.573 20 0 DFADRP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]Cc1ccnc(OCc2ccccc2)c1 ZINC000422977701 296363626 /nfs/dbraw/zinc/36/36/26/296363626.db2.gz XILVMMLLSSIYCY-ROUUACIJSA-N 2 0 311.429 2.878 20 0 DFADRP OC[C@@H]([NH2+][C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)c1ccccc1 ZINC000422982899 296363879 /nfs/dbraw/zinc/36/38/79/296363879.db2.gz YATUESMTNUXLBW-NSHGMRRFSA-N 2 0 324.424 2.566 20 0 DFADRP Cc1cc(C)c(CC[NH2+][C@@H]2CCOC[C@@H]2[C@H]2CCC[NH2+]2)c(C)c1 ZINC000422997144 296365150 /nfs/dbraw/zinc/36/51/50/296365150.db2.gz AOVIRLLQXWNPBE-VAMGGRTRSA-N 2 0 316.489 2.901 20 0 DFADRP Cc1cc(C[C@H](C)[NH2+][C@@H](C)[C@H]2CC[NH2+]C2)n(-c2ccccc2)n1 ZINC000422995581 296365264 /nfs/dbraw/zinc/36/52/64/296365264.db2.gz KKSCRQFUYFINFC-XIRDDKMYSA-N 2 0 312.461 2.699 20 0 DFADRP C[C@@H]([NH2+]C[C@@]1(C)COc2ccccc2O1)C1CC[NH+](C)CC1 ZINC000624041170 399533323 /nfs/dbraw/zinc/53/33/23/399533323.db2.gz LDBLAIJXVDVKRV-KDOFPFPSSA-N 2 0 304.434 2.536 20 0 DFADRP [NH3+]C[C@H]1CCCC[C@@H]1[NH2+]CCOc1ncccc1C(F)(F)F ZINC000422999209 296365632 /nfs/dbraw/zinc/36/56/32/296365632.db2.gz SCERGADLNOYYRE-YPMHNXCESA-N 2 0 317.355 2.586 20 0 DFADRP CC(C)C[N@@H+]1CCC[C@@H]1CN[C@@H](Cc1ccccc1)[C@@H](C)[NH3+] ZINC000423005332 296366284 /nfs/dbraw/zinc/36/62/84/296366284.db2.gz RMPFAMLAMJEQSC-QRQLOZEOSA-N 2 0 303.494 2.655 20 0 DFADRP Cc1cn2c(n1)[C@H](C[NH2+][C@H](Cc1ccccc1)[C@@H](C)[NH3+])CCC2 ZINC000423005528 296366432 /nfs/dbraw/zinc/36/64/32/296366432.db2.gz MLMICPHZGXITIJ-BPQIPLTHSA-N 2 0 312.461 2.617 20 0 DFADRP C[C@H]([NH2+]CC[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1)[C@H]1CC[NH2+]C1 ZINC000423006773 296366613 /nfs/dbraw/zinc/36/66/13/296366613.db2.gz WIDPQDBNBPTAFX-BWPNAZKDSA-N 3 0 315.505 2.875 20 0 DFADRP C[C@@H]([NH2+][C@@H](C)Cc1cc(Br)ccc1F)C1C[NH2+]C1 ZINC000423013484 296367676 /nfs/dbraw/zinc/36/76/76/296367676.db2.gz MXCVVZBPAGGSCT-VHSXEESVSA-N 2 0 315.230 2.717 20 0 DFADRP C[C@H](Cc1cc(Br)ccc1F)[NH2+][C@@H](C)C1C[NH2+]C1 ZINC000423013485 296367905 /nfs/dbraw/zinc/36/79/05/296367905.db2.gz MXCVVZBPAGGSCT-ZJUUUORDSA-N 2 0 315.230 2.717 20 0 DFADRP c1ccc2c(c1)CO[C@H](C[NH2+]C1CC[NH+](CC3CC3)CC1)C2 ZINC000624055043 399536674 /nfs/dbraw/zinc/53/66/74/399536674.db2.gz VLFOSBZQHOPWTH-IBGZPJMESA-N 2 0 300.446 2.592 20 0 DFADRP CN1CC[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)[C@H]1c1ccc(F)c(F)c1 ZINC000423015928 296368088 /nfs/dbraw/zinc/36/80/88/296368088.db2.gz ANPVXJRQCMGQKP-FFBKIPCZSA-N 2 0 321.415 2.583 20 0 DFADRP CC(C)CSCCC[NH2+][C@@H]1CCOC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000423013240 296367352 /nfs/dbraw/zinc/36/73/52/296367352.db2.gz MIKAUFPOYWNZCP-HRCADAONSA-N 2 0 300.512 2.512 20 0 DFADRP COc1ccccc1OC[C@H](C)C[NH2+][C@@H]1CCCC[C@H]1C[NH3+] ZINC000423025899 296369176 /nfs/dbraw/zinc/36/91/76/296369176.db2.gz PKWKVYHLLRJMAS-OWCLPIDISA-N 2 0 306.450 2.817 20 0 DFADRP c1ccc(COCCC2([NH2+]C3C[C@H]4CC[C@@H](C3)[NH2+]4)CC2)cc1 ZINC000423026338 296369268 /nfs/dbraw/zinc/36/92/68/296369268.db2.gz NGICSJKLPRNJFV-JWTNVVGKSA-N 2 0 300.446 2.999 20 0 DFADRP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]CCCc1nc(-c2ccc(F)cc2)no1 ZINC000423027007 296369280 /nfs/dbraw/zinc/36/92/80/296369280.db2.gz CQJUTWAXLACEKY-ZFWWWQNUSA-N 2 0 318.396 2.525 20 0 DFADRP c1ccc(C[N@@H+]2C[C@@H]3CCC[C@@H](NC4CC[NH2+]CC4)[C@H]3C2)cc1 ZINC000423026690 296369370 /nfs/dbraw/zinc/36/93/70/296369370.db2.gz BYCLZISVVRXXPP-YSIASYRMSA-N 2 0 313.489 2.629 20 0 DFADRP CC(C)[NH+]1CCN(c2cccc(N[C@H]3CCC[C@H]3C[NH3+])c2)CC1 ZINC000423021585 296368954 /nfs/dbraw/zinc/36/89/54/296368954.db2.gz CKEFAQWUELGMOM-LPHOPBHVSA-N 2 0 316.493 2.756 20 0 DFADRP CC(C)[NH+]1CCN(c2cccc(N[C@@H]3C[NH2+]CC[C@@H]3C)c2)CC1 ZINC000423022397 296368973 /nfs/dbraw/zinc/36/89/73/296368973.db2.gz FDRUWERELOPLFF-QFBILLFUSA-N 2 0 316.493 2.627 20 0 DFADRP Cc1cccc2c1C[C@@H]([NH2+]C1CC[NH+](CC3CC3)CC1)CO2 ZINC000624071956 399544232 /nfs/dbraw/zinc/54/42/32/399544232.db2.gz PQAXXZNNCXLMRH-QGZVFWFLSA-N 2 0 300.446 2.763 20 0 DFADRP CCC(CC)(C[NH2+][C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1)C(=O)OC ZINC000423039322 296370457 /nfs/dbraw/zinc/37/04/57/296370457.db2.gz QIHZVGKHOUCPEY-ARFHVFGLSA-N 2 0 310.482 2.866 20 0 DFADRP CCOC(=O)C1([C@H](C)[NH2+][C@H](CC)CC(F)(F)F)CC[NH2+]CC1 ZINC000423040949 296370956 /nfs/dbraw/zinc/37/09/56/296370956.db2.gz VQKMTCSDXSDPSN-NWDGAFQWSA-N 2 0 324.387 2.628 20 0 DFADRP C[C@H]([NH2+]CC1(CCOCc2ccccc2)CC1)[C@H]1CC[NH2+]C1 ZINC000423044744 296371439 /nfs/dbraw/zinc/37/14/39/296371439.db2.gz AVCVPJGOPLLZFT-WMZOPIPTSA-N 2 0 302.462 2.961 20 0 DFADRP CC(C)N1CC[C@H]([NH2+]C2CC[NH2+]CC2)[C@H]1c1ccc(F)c(F)c1 ZINC000423049863 296372043 /nfs/dbraw/zinc/37/20/43/296372043.db2.gz YFDFWSXOJNKOMJ-ZWKOTPCHSA-N 2 0 323.431 2.830 20 0 DFADRP C[C@H]([NH3+])C[C@H](C)[NH2+]Cc1cc(Br)cc2c1OCC2 ZINC000423048056 296371694 /nfs/dbraw/zinc/37/16/94/296371694.db2.gz ICNJHKGTEYLENV-UWVGGRQHSA-N 2 0 313.239 2.599 20 0 DFADRP C[C@@H]([NH2+]CCc1cn(C)c2cc(F)ccc12)[C@@H]1CCCC[NH2+]1 ZINC000423050929 296371868 /nfs/dbraw/zinc/37/18/68/296371868.db2.gz MKMHJXZXHAWMPL-DYVFJYSZSA-N 2 0 303.425 2.980 20 0 DFADRP C[C@H](N[C@@H](C)[C@@H]1CCC[NH2+]1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000423049470 296371956 /nfs/dbraw/zinc/37/19/56/296371956.db2.gz XRYILYJTMLCWTA-DKKFBQAASA-N 2 0 301.478 2.627 20 0 DFADRP Cn1nc(CC[NH2+][C@H]2C[C@H]([NH3+])c3ccccc32)c2ccccc21 ZINC000423048764 296371973 /nfs/dbraw/zinc/37/19/73/296371973.db2.gz IRXXZZTZAVGMFN-WMZOPIPTSA-N 2 0 306.413 2.850 20 0 DFADRP C[C@H]([NH2+]CCc1cn(C)c2cc(F)ccc12)[C@@H]1CCCC[NH2+]1 ZINC000423050930 296372142 /nfs/dbraw/zinc/37/21/42/296372142.db2.gz MKMHJXZXHAWMPL-GUYCJALGSA-N 2 0 303.425 2.980 20 0 DFADRP Brc1ccc2[nH]c(C[NH2+]C3CC[NH2+]CC3)cc2c1 ZINC000423052198 296372290 /nfs/dbraw/zinc/37/22/90/296372290.db2.gz QBRYKGGBEVMKPI-UHFFFAOYSA-N 2 0 308.223 2.772 20 0 DFADRP C[C@@H](NC[C@]1(C)CCC[N@@H+]1Cc1ccccc1)[C@@H]1CCC[NH2+]1 ZINC000423067125 296374398 /nfs/dbraw/zinc/37/43/98/296374398.db2.gz YNKPJQDKDIJFAV-NEWSRXKRSA-N 2 0 301.478 2.771 20 0 DFADRP CC(C)[C@H](C[NH2+][C@@H]1CCOC[C@H]1[C@H](C)[NH3+])Cc1ccccc1 ZINC000423067450 296374584 /nfs/dbraw/zinc/37/45/84/296374584.db2.gz HCXLBZZGDJMHCP-DSLXNQLJSA-N 2 0 304.478 2.843 20 0 DFADRP COC[C@@H](CCC[NH3+])[NH2+][C@H](C)c1ccc(Br)s1 ZINC000423062706 296373726 /nfs/dbraw/zinc/37/37/26/296373726.db2.gz UTBMWCILFBRROI-NXEZZACHSA-N 2 0 321.284 2.915 20 0 DFADRP C[C@H](O)[C@](C)(C[NH2+]C1CCC(C[NH3+])CC1)Cc1ccccc1 ZINC000423072470 296374953 /nfs/dbraw/zinc/37/49/53/296374953.db2.gz JKDWKMVAIXKOQV-RXQRSOPUSA-N 2 0 304.478 2.723 20 0 DFADRP CO[C@H](CC[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1)C(F)(F)F ZINC000423073657 296375206 /nfs/dbraw/zinc/37/52/06/296375206.db2.gz ROZYIHWYBUWCLL-IGQOVBAYSA-N 2 0 308.388 2.854 20 0 DFADRP C[C@H]([NH3+])[C@H]1COCC[C@H]1[NH2+]Cc1ccc(-c2ccco2)cc1F ZINC000423084303 296376287 /nfs/dbraw/zinc/37/62/87/296376287.db2.gz HPUUTXXUKKJYLO-XGWLTEMNSA-N 2 0 318.392 2.928 20 0 DFADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]C[C@H]1N(C)CCCC1(C)C ZINC000423082557 296376314 /nfs/dbraw/zinc/37/63/14/296376314.db2.gz DLBKSICJMHZKHB-CXAGYDPISA-N 2 0 304.482 2.620 20 0 DFADRP C[C@H]([NH2+][C@H]1CCN(c2ccc(Cl)cc2Cl)C1)C1C[NH2+]C1 ZINC000423075476 296375421 /nfs/dbraw/zinc/37/54/21/296375421.db2.gz WYOSFNXMMSFCOZ-GWCFXTLKSA-N 2 0 314.260 2.770 20 0 DFADRP CCCOc1ccc(C[NH2+][C@@H]2CCOC[C@@H]2[C@H](C)[NH3+])c(C)c1 ZINC000423076153 296375641 /nfs/dbraw/zinc/37/56/41/296375641.db2.gz YGSUWTJQRGZRSL-BMGDILEWSA-N 2 0 306.450 2.626 20 0 DFADRP C[C@H]([NH3+])[C@@H](Cc1ccccc1)NC[C@H]1CCCC[N@@H+]1C1CC1 ZINC000423080606 296375957 /nfs/dbraw/zinc/37/59/57/296375957.db2.gz ZOUQEFWXPLGXJM-KFKAGJAMSA-N 2 0 301.478 2.551 20 0 DFADRP C[C@H](NC[C@H]1CC[N@H+](Cc2ccccc2)C1)c1c[nH+]ccc1N ZINC000423086750 296376881 /nfs/dbraw/zinc/37/68/81/296376881.db2.gz NYGKZMXBLKMSQB-DOTOQJQBSA-N 3 0 310.445 2.667 20 0 DFADRP C[C@@H](NC[C@H]1CC[N@H+](Cc2ccccc2)C1)[C@@H]1CCCC[NH2+]1 ZINC000423089824 296376986 /nfs/dbraw/zinc/37/69/86/296376986.db2.gz WCWHXBCZNOWNRV-QRQLOZEOSA-N 2 0 301.478 2.629 20 0 DFADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]CC1CCN(c2ccccc2)CC1 ZINC000423091317 296377231 /nfs/dbraw/zinc/37/72/31/296377231.db2.gz ZWHQEIFKDRZZSH-VQIMIIECSA-N 2 0 301.478 2.881 20 0 DFADRP C[C@@H]([NH3+])C[C@@H](C)[NH2+]CCc1cccc(OCC(F)(F)F)c1 ZINC000423092105 296377429 /nfs/dbraw/zinc/37/74/29/296377429.db2.gz AOMROMNAWGZKJS-VXGBXAGGSA-N 2 0 304.356 2.886 20 0 DFADRP C[C@H]([NH3+])[C@@H]1COCC[C@H]1[NH2+]CCn1ccc2cc(Cl)ccc21 ZINC000423098658 296378284 /nfs/dbraw/zinc/37/82/84/296378284.db2.gz DDOFYAGFVLCRLL-VBNZEHGJSA-N 2 0 321.852 2.637 20 0 DFADRP Cc1cccc(C[NH+]2CCC(C[NH+]3CCOCC3)CC2)c1F ZINC000294591224 224106264 /nfs/dbraw/zinc/10/62/64/224106264.db2.gz RWJUOHZZCGSPJV-UHFFFAOYSA-N 2 0 306.425 2.678 20 0 DFADRP C[NH+](C)C[C@@H](NC1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccc(Cl)cc1 ZINC000423101126 296378303 /nfs/dbraw/zinc/37/83/03/296378303.db2.gz IBRMDAPQLZMEEU-FCLJQHQZSA-N 2 0 307.869 2.815 20 0 DFADRP COc1ccc(C[C@H](C)[NH2+]C[C@@H]2CCCC[N@H+](C)C2)cc1OC ZINC000624119544 399559067 /nfs/dbraw/zinc/55/90/67/399559067.db2.gz DSWHZQHYTZPDTI-RDJZCZTQSA-N 2 0 320.477 2.956 20 0 DFADRP C[C@H](CC(=O)Nc1cccc(F)c1)[NH2+]C[C@H]1CCCC[N@H+](C)C1 ZINC000624121454 399560336 /nfs/dbraw/zinc/56/03/36/399560336.db2.gz WUUGTLMBKWRPKT-HUUCEWRRSA-N 2 0 321.440 2.864 20 0 DFADRP C[C@@H]([NH2+]C[C@H]1CCCC[N@H+](C)C1)c1ccc(-n2cncn2)cc1 ZINC000624120367 399560417 /nfs/dbraw/zinc/56/04/17/399560417.db2.gz XJSQJNSLRLFLSY-HZPDHXFCSA-N 2 0 313.449 2.650 20 0 DFADRP C[N@@H+]1CCC[C@@H]1CC[NH+]1CCC(Cc2ccccc2CO)CC1 ZINC000347692520 285133382 /nfs/dbraw/zinc/13/33/82/285133382.db2.gz XFAZKOVHTUHWBI-HXUWFJFHSA-N 2 0 316.489 2.918 20 0 DFADRP C[N@@H+]1CCCC[C@@H](C[NH2+]C2CCC(O)(C(F)(F)F)CC2)C1 ZINC000624121347 399561256 /nfs/dbraw/zinc/56/12/56/399561256.db2.gz UGLFJLPRNGRVLT-HSBZDZAISA-N 2 0 308.388 2.544 20 0 DFADRP COc1cccc(OC(F)(F)F)c1C[NH2+][C@H](C)CCC[NH3+] ZINC000423113518 296379954 /nfs/dbraw/zinc/37/99/54/296379954.db2.gz UKXJLCFIGVXFRD-SNVBAGLBSA-N 2 0 306.328 2.811 20 0 DFADRP CC[C@H](NC[C@@H](CO)c1ccccc1Cl)[C@@H]1CCCC[NH2+]1 ZINC000423119927 296380774 /nfs/dbraw/zinc/38/07/74/296380774.db2.gz FXJQWXYYDQDQRU-JQFCIGGWSA-N 2 0 310.869 2.926 20 0 DFADRP C[C@H]([NH2+][C@H]1c2ccccc2CC12CCOCC2)[C@H]1CC[NH2+]C1 ZINC000423124791 296381460 /nfs/dbraw/zinc/38/14/60/296381460.db2.gz PCYHPKJOTNBJJK-ZVZYQTTQSA-N 2 0 300.446 2.668 20 0 DFADRP CC(C)Oc1ccc([C@@H](C[NH2+][C@@H](C)C[C@H](C)[NH3+])N(C)C)cc1 ZINC000423122542 296381163 /nfs/dbraw/zinc/38/11/63/296381163.db2.gz JUFGUJYIRLHEBJ-RLFYNMQTSA-N 2 0 307.482 2.792 20 0 DFADRP Fc1ccc([C@H]2C[C@H]([NH2+][C@@H]3CCOC[C@H]3[C@@H]3CCC[NH2+]3)C2)cc1 ZINC000423128573 296381785 /nfs/dbraw/zinc/38/17/85/296381785.db2.gz LCFRSDXXZCVPDS-XFUTXVRSSA-N 2 0 318.436 2.818 20 0 DFADRP CCN1C[C@@H](C)[C@H]([NH2+]Cc2ccccc2C[N@H+](C)C(C)C)C1 ZINC000347715803 285142934 /nfs/dbraw/zinc/14/29/34/285142934.db2.gz GWPUFAGAHZKALX-VQIMIIECSA-N 2 0 303.494 2.957 20 0 DFADRP C=Cc1ccc(CC[NH2+][C@@H]2CCOC[C@H]2[C@H]2CCC[NH2+]2)cc1 ZINC000423131567 296382405 /nfs/dbraw/zinc/38/24/05/296382405.db2.gz APJYTXHXXFHCIV-IPMKNSEASA-N 2 0 300.446 2.619 20 0 DFADRP Cc1cc(CC[NH2+][C@@H]2CCOC[C@H]2[C@@H]2CCC[NH2+]2)ccc1Cl ZINC000423141102 296383901 /nfs/dbraw/zinc/38/39/01/296383901.db2.gz NXYSYCIRQYILRT-RYQLBKOJSA-N 2 0 322.880 2.938 20 0 DFADRP C[C@@H]1CC[NH2+]C[C@H]1NCCc1cnc(SC2CCCC2)nc1 ZINC000423137823 296383508 /nfs/dbraw/zinc/38/35/08/296383508.db2.gz RTTJLKXHFSRBKI-CZUORRHYSA-N 2 0 320.506 2.641 20 0 DFADRP Cc1cccc2c1OC[C@H]([NH2+][C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1)C2 ZINC000423141391 296383744 /nfs/dbraw/zinc/38/37/44/296383744.db2.gz PQPZPZFLKUVYCQ-BRSBDYLESA-N 2 0 300.446 2.809 20 0 DFADRP CSc1ccc([C@H](C[NH2+][C@@H]2CCC[C@@H]2C[NH3+])N(C)C)cc1 ZINC000423144011 296384440 /nfs/dbraw/zinc/38/44/40/296384440.db2.gz FXCGRYHEYWIXPB-OIISXLGYSA-N 2 0 307.507 2.728 20 0 DFADRP c1ccc2c(c1)SC[C@@H]2C[NH2+][C@@H]1CCOC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000423147130 296385007 /nfs/dbraw/zinc/38/50/07/296385007.db2.gz RCLBCNPGGMIPEP-PQEBFOHHSA-N 2 0 318.486 2.623 20 0 DFADRP FC1(F)CCCC[C@@H]1C[NH2+][C@@H]1CCOC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000423147827 296385124 /nfs/dbraw/zinc/38/51/24/296385124.db2.gz SWACNIJVSGHFQN-APIJFGDWSA-N 2 0 302.409 2.559 20 0 DFADRP CCOC(=O)C1([C@H](C)[NH2+][C@@H]2C[C@@]2(CC)C(C)C)CC[NH2+]CC1 ZINC000423157052 296386123 /nfs/dbraw/zinc/38/61/23/296386123.db2.gz AAJJYGUJDLEINM-UXLLHSPISA-N 2 0 310.482 2.722 20 0 DFADRP Cc1nc(C[NH2+]C2CCC(C[NH3+])CC2)sc1Br ZINC000423157663 296386195 /nfs/dbraw/zinc/38/61/95/296386195.db2.gz MWDYMHQSIAWHKW-UHFFFAOYSA-N 2 0 318.284 2.821 20 0 DFADRP CSCC1CCC([NH2+][C@@H]2CCOC[C@H]2[C@H]2CCC[NH2+]2)CC1 ZINC000423156209 296386229 /nfs/dbraw/zinc/38/62/29/296386229.db2.gz KNGAHEYSHRQDQT-IRKLFDGPSA-N 2 0 312.523 2.655 20 0 DFADRP CSCC1CCC([NH2+][C@@H]2CCOC[C@@H]2[C@@H]2CCC[NH2+]2)CC1 ZINC000423156208 296386084 /nfs/dbraw/zinc/38/60/84/296386084.db2.gz KNGAHEYSHRQDQT-GADNRMJZSA-N 2 0 312.523 2.655 20 0 DFADRP COC1CCC([NH2+][C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)CC1 ZINC000423165583 296387304 /nfs/dbraw/zinc/38/73/04/296387304.db2.gz BDPOIFCROHRHSY-YXGQEBDGSA-N 2 0 316.445 2.790 20 0 DFADRP CCO[C@@H]1CCC[C@H]1[NH2+][C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423160789 296386487 /nfs/dbraw/zinc/38/64/87/296386487.db2.gz HWDOYYQUDRIXJD-JFRXWTBNSA-N 2 0 316.445 2.790 20 0 DFADRP COC[C@H](CCC[NH3+])[NH2+][C@@H]1C[C@H]1c1c(F)cccc1Cl ZINC000423168672 296387786 /nfs/dbraw/zinc/38/77/86/296387786.db2.gz HQVZWIYIVGHBMA-MISXGVKJSA-N 2 0 300.805 2.679 20 0 DFADRP C[N@@H+]1CCC[C@H](CC[NH2+][C@H]2CCN[C@H](c3ccccc3)C2)C1 ZINC000423172993 296387879 /nfs/dbraw/zinc/38/78/79/296387879.db2.gz WJPRCESGBPCOSD-NEWSRXKRSA-N 2 0 301.478 2.801 20 0 DFADRP CC(C)COc1ccc([C@@H](C)[NH2+]CCCN2CC[NH2+]CC2)cc1 ZINC000423174789 296388197 /nfs/dbraw/zinc/38/81/97/296388197.db2.gz BWONHVZFPOLGOK-QGZVFWFLSA-N 2 0 319.493 2.667 20 0 DFADRP CC[NH+](CC)C[C@@H]1CCN([C@H](C(=O)OC(C)(C)C)C2CC2)C1 ZINC000602788388 399573163 /nfs/dbraw/zinc/57/31/63/399573163.db2.gz WJCLVGAPGIVUET-HOCLYGCPSA-N 2 0 310.482 2.770 20 0 DFADRP CC[NH+](CC)C[C@H]1CCN([C@@H](C(=O)OC(C)(C)C)C2CC2)C1 ZINC000602788384 399573232 /nfs/dbraw/zinc/57/32/32/399573232.db2.gz WJCLVGAPGIVUET-GDBMZVCRSA-N 2 0 310.482 2.770 20 0 DFADRP C[C@@H]([NH2+]CCCN1CC[NH2+]CC1)c1ccc(-c2ccncc2)cc1 ZINC000423185712 296389753 /nfs/dbraw/zinc/38/97/53/296389753.db2.gz VWTDJLYJFNRPRM-QGZVFWFLSA-N 2 0 324.472 2.695 20 0 DFADRP C[C@@H](O)C[C@H](C)C[NH2+][C@@H](C)c1ccc(OCC[NH+](C)C)cc1 ZINC000157590872 197199519 /nfs/dbraw/zinc/19/95/19/197199519.db2.gz QEABYMIPAOKDKQ-XHSDSOJGSA-N 2 0 308.466 2.685 20 0 DFADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]C[C@](C)(O)c1ccccc1Cl ZINC000157559403 197198000 /nfs/dbraw/zinc/19/80/00/197198000.db2.gz LRWJQFVKDUXVDY-KFZJALRRSA-N 2 0 310.869 2.866 20 0 DFADRP c1ccc(C[N@@H+]2C[C@@H]3CCC[C@H](N[C@@H]4CCC[NH2+]C4)[C@@H]3C2)cc1 ZINC000423195146 296390736 /nfs/dbraw/zinc/39/07/36/296390736.db2.gz SHPWNHIPHGWURQ-NMLBUPMWSA-N 3 0 313.489 2.629 20 0 DFADRP Clc1ccc([C@H]2CCC[C@@H]([NH2+]CCN3CC[NH2+]CC3)C2)cc1 ZINC000423209503 296392752 /nfs/dbraw/zinc/39/27/52/296392752.db2.gz UXPHGNLIRDZWDG-FUHWJXTLSA-N 2 0 321.896 2.861 20 0 DFADRP C[NH2+]CCCN[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H]2CCC[C@H]21 ZINC000423200589 296392064 /nfs/dbraw/zinc/39/20/64/296392064.db2.gz MTHAORBOFZVGED-IPMKNSEASA-N 3 0 301.478 2.629 20 0 DFADRP Cc1ccc([C@@H]([NH2+]CCN2CC[NH2+]CC2)C2CCCC2)cc1 ZINC000423200892 296392083 /nfs/dbraw/zinc/39/20/83/296392083.db2.gz GVOSAYGERZNJCG-IBGZPJMESA-N 2 0 301.478 2.721 20 0 DFADRP Brc1cccc2c1C[C@@H]([NH2+]C[C@@H]1CCC[NH2+]C1)CC2 ZINC000423215044 296393362 /nfs/dbraw/zinc/39/33/62/296393362.db2.gz QBECDALQNMFRRL-OCCSQVGLSA-N 2 0 323.278 2.896 20 0 DFADRP COc1cc(C)c(C[C@H](C)[NH2+]C[C@@H]2CCC[NH2+]C2)cc1OC ZINC000423215308 296393458 /nfs/dbraw/zinc/39/34/58/296393458.db2.gz QIFNAGJHMKWECH-LSDHHAIUSA-N 2 0 306.450 2.532 20 0 DFADRP C[C@H]([NH3+])CCN[C@@H]1CC[N@H+](Cc2ccccc2)[C@H]2CCC[C@H]21 ZINC000423227137 296394765 /nfs/dbraw/zinc/39/47/65/296394765.db2.gz UPCDLASCNCQYSY-KANFNMMFSA-N 2 0 301.478 2.757 20 0 DFADRP C[C@H]([NH3+])CCN[C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000423228359 296394820 /nfs/dbraw/zinc/39/48/20/296394820.db2.gz ZGPODXPLBZQUMT-GDAAHCPNSA-N 2 0 301.478 2.614 20 0 DFADRP O[C@@H](Cc1ccccc1)C[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000157228024 197171814 /nfs/dbraw/zinc/17/18/14/197171814.db2.gz GQCVCSUSTNDUSR-OALUTQOASA-N 2 0 302.462 2.540 20 0 DFADRP C[C@H](Cc1ccc(F)cc1Br)[NH2+]CC[C@H](C)[NH3+] ZINC000423227145 296394667 /nfs/dbraw/zinc/39/46/67/296394667.db2.gz UPUBYHAZWUMZDK-VHSXEESVSA-N 2 0 303.219 2.846 20 0 DFADRP COc1ccc(C[C@H](C)[NH2+]CC[C@H]2CC[NH2+]C2)c(C)c1OC ZINC000423238434 296395884 /nfs/dbraw/zinc/39/58/84/296395884.db2.gz AIBIENNHRJDTOM-DZGCQCFKSA-N 2 0 306.450 2.532 20 0 DFADRP Cc1c([C@H](C)[NH2+]CC[C@@H]2CC[NH2+]C2)cnn1-c1ccc(F)cc1 ZINC000423240326 296396087 /nfs/dbraw/zinc/39/60/87/296396087.db2.gz CFHZHIKODMBZOP-ZFWWWQNUSA-N 2 0 316.424 2.970 20 0 DFADRP CC1(C)[C@H]([NH2+]CC[C@@H]2CC[NH2+]C2)C[C@@H]1OCc1ccccc1 ZINC000423254624 296396990 /nfs/dbraw/zinc/39/69/90/296396990.db2.gz YUXUMWVAMQEFNB-JQHSSLGASA-N 2 0 302.462 2.960 20 0 DFADRP CC(C)C[C@H](C[NH3+])N[C@H](C)c1ccc(OCC[NH+](C)C)cc1 ZINC000423263466 296398171 /nfs/dbraw/zinc/39/81/71/296398171.db2.gz OKSFIMDZFIVOLT-NVXWUHKLSA-N 3 0 307.482 2.651 20 0 DFADRP CC[N@@H+]1CC[C@H]([NH2+][C@@H]2CCCN(c3ccccc3)C2)[C@H](C)C1 ZINC000120333478 195145127 /nfs/dbraw/zinc/14/51/27/195145127.db2.gz YFNVEPIXJAMATC-LMMKCTJWSA-N 2 0 301.478 2.975 20 0 DFADRP COc1cc(NC(C)=O)ccc1[C@@H](C)[NH2+]CC[C@@H]1CCC[NH2+]C1 ZINC000423256046 296397396 /nfs/dbraw/zinc/39/73/96/296397396.db2.gz DGHBHOIJXDMSOI-HIFRSBDPSA-N 2 0 319.449 2.694 20 0 DFADRP Fc1ccc([C@H]([NH2+]CC[C@@H]2CCC[NH2+]C2)c2cnccn2)cc1 ZINC000423260325 296397755 /nfs/dbraw/zinc/39/77/55/296397755.db2.gz PYZVOQATJWPLSF-KSSFIOAISA-N 2 0 314.408 2.684 20 0 DFADRP C[C@@H]([NH2+]CC[C@@H]1CCC[NH2+]C1)c1ncc(Br)s1 ZINC000423260960 296397925 /nfs/dbraw/zinc/39/79/25/296397925.db2.gz QYUXHJPWRQRGGL-ZJUUUORDSA-N 2 0 318.284 2.946 20 0 DFADRP CC(C)C[C@H](C[NH3+])N[C@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000423271566 296399147 /nfs/dbraw/zinc/39/91/47/296399147.db2.gz YACNVWXVPXISIF-NZSAHSFTSA-N 2 0 303.494 2.860 20 0 DFADRP CC(C)(C)[C@@H]1CCC[C@H]([NH2+]Cc2cn([C@@H]3CC[NH2+]C3)nn2)CC1 ZINC000629405747 399594914 /nfs/dbraw/zinc/59/49/14/399594914.db2.gz MJFZFROSVPOWET-HLLBOEOZSA-N 2 0 319.497 2.897 20 0 DFADRP C[NH2+]C[C@H](C)C[NH2+][C@@H](C)c1ccc(OC(F)F)c(OC)c1 ZINC000423267914 296398543 /nfs/dbraw/zinc/39/85/43/296398543.db2.gz FNKUXGBLDVHUHG-QWRGUYRKSA-N 2 0 302.365 2.803 20 0 DFADRP c1ccc(C[C@@H]([NH2+]CC[C@H]2CCC[NH2+]C2)c2cccnc2)nc1 ZINC000423265571 296398654 /nfs/dbraw/zinc/39/86/54/296398654.db2.gz ZYGVECZSVMBBES-VQIMIIECSA-N 2 0 310.445 2.740 20 0 DFADRP C[NH2+]C[C@H](C)C[NH2+][C@H](C)c1ccc(NC(=O)NC(C)C)cc1 ZINC000423282670 296400690 /nfs/dbraw/zinc/40/06/90/296400690.db2.gz WQQHRVDTTOSUAP-UONOGXRCSA-N 2 0 306.454 2.723 20 0 DFADRP COC(=O)C[C@@H]1CC[C@@H]([NH2+]CC[NH2+]C2CCCCCC2)[C@@H]1C ZINC000423276914 296399889 /nfs/dbraw/zinc/39/98/89/296399889.db2.gz NMNRFVZAGQBICJ-HLLBOEOZSA-N 2 0 310.482 2.866 20 0 DFADRP CCO[C@@H]1C[C@H]([NH2+]Cc2ccc([C@H](C)[NH3+])cc2)C12CCOCC2 ZINC000423291614 296401718 /nfs/dbraw/zinc/40/17/18/296401718.db2.gz IYMSXOBQQAYQSX-JCGIZDLHSA-N 2 0 318.461 2.770 20 0 DFADRP C[C@H]([NH2+]CCN1CC[NH+](Cc2ccccc2)CC1)c1ccncc1 ZINC000156407810 197111093 /nfs/dbraw/zinc/11/10/93/197111093.db2.gz MCULTCLSEGINCV-SFHVURJKSA-N 2 0 324.472 2.550 20 0 DFADRP CCCC[C@H](C[NH3+])N[C@H](c1ccc(OC)cc1)[C@H]1CCC[NH2+]1 ZINC000423303765 296402490 /nfs/dbraw/zinc/40/24/90/296402490.db2.gz XLQZADLRAKGVKO-KBAYOESNSA-N 2 0 305.466 2.595 20 0 DFADRP C[C@H]([NH2+]CC1(C)CC[NH2+]CC1)c1ncc(Br)s1 ZINC000423316335 296403377 /nfs/dbraw/zinc/40/33/77/296403377.db2.gz AMDZDVQMGGGQCI-VIFPVBQESA-N 2 0 318.284 2.946 20 0 DFADRP Fc1cc(Br)cc2c1CC[C@H]2[NH2+]C[C@H]1CC[NH2+]C1 ZINC000423326544 296404960 /nfs/dbraw/zinc/40/49/60/296404960.db2.gz CJYUHHSDURRJQQ-LKFCYVNXSA-N 2 0 313.214 2.775 20 0 DFADRP Brc1ccccc1C[C@@H]([NH2+]C[C@@H]1CC[NH2+]C1)C1CC1 ZINC000423330773 296405150 /nfs/dbraw/zinc/40/51/50/296405150.db2.gz GGUPFVQOKODLRY-MLGOLLRUSA-N 2 0 323.278 2.969 20 0 DFADRP C[C@@H]([NH2+]CC1(C)CC[NH2+]CC1)c1cccc(OCC[NH+](C)C)c1 ZINC000423331403 296405203 /nfs/dbraw/zinc/40/52/03/296405203.db2.gz OEPRIZJVBJHQHW-MRXNPFEDSA-N 3 0 319.493 2.667 20 0 DFADRP C[C@H]([NH2+]C[C@H]1CC[NH2+]C1)c1ccc(Br)c(F)c1 ZINC000423350270 296407357 /nfs/dbraw/zinc/40/73/57/296407357.db2.gz XDNYUCQXQUKGMP-UWVGGRQHSA-N 2 0 301.203 2.848 20 0 DFADRP FC(F)(F)Oc1ccc2c(c1)[C@@H]([NH2+]C[C@@H]1CC[NH2+]C1)CC2 ZINC000423351420 296407361 /nfs/dbraw/zinc/40/73/61/296407361.db2.gz ZCZROJRAXAZCER-YGRLFVJLSA-N 2 0 300.324 2.772 20 0 DFADRP CCOC(=O)[C@H]1CC[C@@H]([NH2+]CC2=CC[NH2+]CC2)c2ccccc21 ZINC000423345237 296406789 /nfs/dbraw/zinc/40/67/89/296406789.db2.gz FUXKMIFCEADAML-ZWKOTPCHSA-N 2 0 314.429 2.678 20 0 DFADRP Cc1cccc(C[C@H]([NH2+][C@H](C)CN2CC[NH+](C)CC2)C2CC2)c1 ZINC000155114842 197023486 /nfs/dbraw/zinc/02/34/86/197023486.db2.gz XMXXMQKYDDMUEU-XLIONFOSSA-N 2 0 315.505 2.542 20 0 DFADRP C[C@H](Cc1ccccc1)[NH+]1CCC(N[C@@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000423371990 296409878 /nfs/dbraw/zinc/40/98/78/296409878.db2.gz QSKCRWPSQRZINR-IMFGXOCKSA-N 2 0 315.505 2.942 20 0 DFADRP Fc1ccc(N2CCC([NH2+]CC[C@H]3CCC[NH2+]3)CC2)c(F)c1 ZINC000423371194 296409917 /nfs/dbraw/zinc/40/99/17/296409917.db2.gz UUIMHNOTHZBEHN-CQSZACIVSA-N 2 0 309.404 2.665 20 0 DFADRP COc1cc2[nH+]ccc(N3CC[C@@H](C[NH+](C)C)C3)c2cc1OC ZINC000298856607 533178963 /nfs/dbraw/zinc/17/89/63/533178963.db2.gz JGCCBLOJMXXDDZ-ZDUSSCGKSA-N 2 0 315.417 2.640 20 0 DFADRP CC[C@@H]([NH2+]C[C@H](N1CC[NH2+]CC1)C(F)(F)F)c1ccccc1 ZINC000423395403 296411972 /nfs/dbraw/zinc/41/19/72/296411972.db2.gz SNQWKDLQKOKECW-CABCVRRESA-N 2 0 315.383 2.563 20 0 DFADRP CC(C)[NH+]1CCN(CCC[NH+]2C[C@@H](C)C(F)(F)[C@H](C)C2)CC1 ZINC000625653468 399606919 /nfs/dbraw/zinc/60/69/19/399606919.db2.gz KPBLGWFJEKMRES-HZPDHXFCSA-N 2 0 317.468 2.626 20 0 DFADRP COCC1(C[NH2+][C@@H](C)c2cnn(C3CCCC3)c2)CC[NH2+]CC1 ZINC000423408019 296413494 /nfs/dbraw/zinc/41/34/94/296413494.db2.gz NWWADHSCZMWKIZ-HNNXBMFYSA-N 2 0 320.481 2.665 20 0 DFADRP Cc1ccsc1[C@@H](C)[NH2+]C[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000423400738 296412711 /nfs/dbraw/zinc/41/27/11/296412711.db2.gz XCQRYNASQZIVOT-NEPJUHHUSA-N 2 0 321.412 2.543 20 0 DFADRP COCC1(C[NH2+][C@@H]2CCC[C@@H](c3cccnc3)C2)CC[NH2+]CC1 ZINC000423403496 296413112 /nfs/dbraw/zinc/41/31/12/296413112.db2.gz HXACFRBNFVAGDV-SJLPKXTDSA-N 2 0 317.477 2.714 20 0 DFADRP COCC1(C[NH2+][C@@H](Cc2ccccc2)C2CC2)CC[NH2+]CC1 ZINC000423406279 296413160 /nfs/dbraw/zinc/41/31/60/296413160.db2.gz KJGCHSWNYADKQJ-SFHVURJKSA-N 2 0 302.462 2.614 20 0 DFADRP COC(=O)c1csc([C@H](C)[NH2+][C@@H]2C[C@H]2C2CC[NH2+]CC2)c1 ZINC000423445350 296417343 /nfs/dbraw/zinc/41/73/43/296417343.db2.gz RUSYICCBSVFTEA-LEWSCRJBSA-N 2 0 308.447 2.573 20 0 DFADRP Cc1c([C@@H](C)[NH2+][C@@H](C)CCCC[NH3+])nnn1-c1ccc(F)cc1 ZINC000423439445 296416737 /nfs/dbraw/zinc/41/67/37/296416737.db2.gz SHDPFASPYJTQDO-QWHCGFSZSA-N 2 0 319.428 2.883 20 0 DFADRP CC1(C)CCC[NH2+][C@@H]1C(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000423438810 296416827 /nfs/dbraw/zinc/41/68/27/296416827.db2.gz NLFMAYJTXQQLQN-QGZVFWFLSA-N 2 0 321.509 2.678 20 0 DFADRP Cc1nccn1CCC[NH2+][C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000347931210 285252837 /nfs/dbraw/zinc/25/28/37/285252837.db2.gz KUTANTXPSWQTRB-NVXWUHKLSA-N 2 0 304.482 2.824 20 0 DFADRP COCCOc1ccc([C@H](C)[NH2+]C[C@@H]2CCC[C@H]([NH3+])C2)cc1 ZINC000423462361 296418516 /nfs/dbraw/zinc/41/85/16/296418516.db2.gz OYZWXUNTFFPCOA-UXLLHSPISA-N 2 0 306.450 2.880 20 0 DFADRP C[C@@H]([NH2+]CCC(=O)N1CCCCC1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000347940095 285258651 /nfs/dbraw/zinc/25/86/51/285258651.db2.gz XENLFRSMQURWND-IAGOWNOFSA-N 2 0 321.509 2.632 20 0 DFADRP COc1cc(NC(C)=O)ccc1[C@H](C)[NH2+]C[C@@H]1CCC[C@H]([NH3+])C1 ZINC000423477298 296420083 /nfs/dbraw/zinc/42/00/83/296420083.db2.gz SIGHHSMQICDMCO-CFVMTHIKSA-N 2 0 319.449 2.822 20 0 DFADRP Cc1c([C@H](C)[NH2+][C@@H]2CC[C@H](C[NH3+])C2)nnn1-c1ccc(C)cc1 ZINC000423486323 296420833 /nfs/dbraw/zinc/42/08/33/296420833.db2.gz BUGDYNOZKUSXRU-CWRNSKLLSA-N 2 0 313.449 2.662 20 0 DFADRP [NH3+]C[C@@H]1CC[C@H]([NH2+]C2CCN(c3ccc(F)cc3F)CC2)C1 ZINC000423496059 296422094 /nfs/dbraw/zinc/42/20/94/296422094.db2.gz VZNOMZNIFMLOSJ-DOMZBBRYSA-N 2 0 309.404 2.651 20 0 DFADRP Cc1nn(C)c2sc([C@H](C)[NH2+]CCC3=CC[NH2+]CC3)cc12 ZINC000423534664 296427625 /nfs/dbraw/zinc/42/76/25/296427625.db2.gz AOCNJJPPJAZDMD-LBPRGKRZSA-N 2 0 304.463 2.904 20 0 DFADRP COC(=O)CCC[C@@H]1CCC[C@@H]([NH2+]CCC2=CC[NH2+]CC2)C1 ZINC000423539872 296427816 /nfs/dbraw/zinc/42/78/16/296427816.db2.gz PMZIIZZPCBMQDM-DLBZAZTESA-N 2 0 308.466 2.788 20 0 DFADRP COc1cc2c(cc1OC)[C@H]([NH2+][C@@H]1CC[C@@H]3C[NH2+]C[C@@H]3C1)CC2 ZINC000423538136 296427851 /nfs/dbraw/zinc/42/78/51/296427851.db2.gz FPDVMPFBMAMJPT-JYYAWHABSA-N 2 0 316.445 2.669 20 0 DFADRP Fc1ccc([C@H]([NH2+]CCC2=CC[NH2+]CC2)c2cnccn2)cc1 ZINC000423539771 296427881 /nfs/dbraw/zinc/42/78/81/296427881.db2.gz PGVKVHLBXJJHEK-SFHVURJKSA-N 2 0 312.392 2.605 20 0 DFADRP Fc1ccc(N2CCC([NH2+]CCC[NH2+]C3CC3)CC2)c(F)c1 ZINC000423531667 296426997 /nfs/dbraw/zinc/42/69/97/296426997.db2.gz TUEUEVWYXFYZAA-UHFFFAOYSA-N 2 0 309.404 2.665 20 0 DFADRP Cc1nn(C)c2sc([C@H](C)[NH2+][C@@H]3CC[C@@H]4C[NH2+]C[C@H]4C3)cc12 ZINC000423541011 296428031 /nfs/dbraw/zinc/42/80/31/296428031.db2.gz KKTFDPZYUNNKPI-REWJHTLYSA-N 2 0 318.490 2.982 20 0 DFADRP CC[C@H]([NH2+]CCC1=CC[NH2+]CC1)c1ccc(C(=O)OC)cc1 ZINC000423541155 296428143 /nfs/dbraw/zinc/42/81/43/296428143.db2.gz RJIHMFANOCZDJU-KRWDZBQOSA-N 2 0 302.418 2.824 20 0 DFADRP Cc1cccc(NC(=O)C[C@@H](C)[NH2+]CCC2=CC[NH2+]CC2)c1C ZINC000423549099 296428887 /nfs/dbraw/zinc/42/88/87/296428887.db2.gz HIHHIUKVYKURBZ-OAHLLOKOSA-N 2 0 315.461 2.920 20 0 DFADRP Cc1cc(C)cc([C@@H](C)[NH2+]C[C@H](C)CN2CC[NH+](C)CC2)c1 ZINC000120789356 195239066 /nfs/dbraw/zinc/23/90/66/195239066.db2.gz NPGQMAWTYSSKPS-ZWKOTPCHSA-N 2 0 303.494 2.838 20 0 DFADRP C[C@@H]1C[C@@H](N[C@@H](C[NH+]2CCCC2)c2ccccc2)CC[N@@H+]1C ZINC000120801082 195240792 /nfs/dbraw/zinc/24/07/92/195240792.db2.gz UIOLLRAPUQZPBS-NEWSRXKRSA-N 2 0 301.478 2.896 20 0 DFADRP Cc1cccc([C@@H](C)[NH2+]C[C@H](C)CN2CC[NH+](C)CC2)c1C ZINC000120839627 195248241 /nfs/dbraw/zinc/24/82/41/195248241.db2.gz XDGZYFYXWPBUDG-MAUKXSAKSA-N 2 0 303.494 2.838 20 0 DFADRP C[C@H]([NH2+]CCC1=CC[NH2+]CC1)c1ccc2c(c1)OCCCO2 ZINC000423572021 296430048 /nfs/dbraw/zinc/43/00/48/296430048.db2.gz YBZCMXBCEVPTJM-AWEZNQCLSA-N 2 0 302.418 2.808 20 0 DFADRP Cc1ccc([C@@H](C)[NH2+]C[C@H](C)CN2CC[NH+](C)CC2)cc1C ZINC000120895814 195258871 /nfs/dbraw/zinc/25/88/71/195258871.db2.gz SNORXYHJKKOFPS-MAUKXSAKSA-N 2 0 303.494 2.838 20 0 DFADRP CC[C@@H]([NH2+]C[C@H](C)CN1CC[NH+](C)CC1)c1cccc(OC)c1 ZINC000120840974 195249306 /nfs/dbraw/zinc/24/93/06/195249306.db2.gz KVHCJXPAWMUYQY-QFBILLFUSA-N 2 0 319.493 2.619 20 0 DFADRP C[C@H](C[NH2+][C@@H](C)c1ccc(Cl)s1)CN1CC[NH+](C)CC1 ZINC000120852237 195251078 /nfs/dbraw/zinc/25/10/78/195251078.db2.gz YLMMPXLQUGBVIE-OLZOCXBDSA-N 2 0 315.914 2.936 20 0 DFADRP C[C@H](C[NH2+][C@H]1CCSc2ccccc21)CN1CC[NH+](C)CC1 ZINC000120859423 195252382 /nfs/dbraw/zinc/25/23/82/195252382.db2.gz MOHCJAAWXQKTOB-WBVHZDCISA-N 2 0 319.518 2.697 20 0 DFADRP C[C@H]([NH2+]C[C@]1(C)CCOC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000347991098 285287095 /nfs/dbraw/zinc/28/70/95/285287095.db2.gz BNVGWIOZVCZUGX-WDSOQIARSA-N 2 0 302.462 2.913 20 0 DFADRP C[C@H](C[NH2+][C@H](c1ccc(F)cc1)C1CC1)N1CC[NH+](C)CC1 ZINC000271642413 209087357 /nfs/dbraw/zinc/08/73/57/209087357.db2.gz DXXSQMUSLKIWLC-KDOFPFPSSA-N 2 0 305.441 2.502 20 0 DFADRP CN1CC[C@@H]([NH2+]CC[C@H]2CCC[N@@H+]2C)[C@@H]1c1ccc(F)c(F)c1 ZINC000289486882 221012612 /nfs/dbraw/zinc/01/26/12/221012612.db2.gz YOHSEAMOXSNWAF-OLMNPRSZSA-N 2 0 323.431 2.784 20 0 DFADRP CC(C)[NH+]1CCC(NC(=O)C[N@@H+]2CC(C)(C)CCC2(C)C)CC1 ZINC000625723454 399623230 /nfs/dbraw/zinc/62/32/30/399623230.db2.gz OZKXTUFOIRIRMF-UHFFFAOYSA-N 2 0 323.525 2.876 20 0 DFADRP Cc1cc(C)cc(C[NH+]2CCC(C[NH+]3CCN(C)CC3)CC2)c1 ZINC000289523899 221038493 /nfs/dbraw/zinc/03/84/93/221038493.db2.gz VQHPUEBZJIJKTA-UHFFFAOYSA-N 2 0 315.505 2.763 20 0 DFADRP CC[C@@H]1CN(C(=O)c2ccc(C[NH+](CC)CC)cc2)C[C@H](C)[NH2+]1 ZINC000620898188 399625823 /nfs/dbraw/zinc/62/58/23/399625823.db2.gz REHQAPBBKFXTMH-MAUKXSAKSA-N 2 0 317.477 2.741 20 0 DFADRP C[N@H+](Cc1cc2ccccc2[nH]c1=O)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000289602839 221097210 /nfs/dbraw/zinc/09/72/10/221097210.db2.gz KXSHVIMYEHBHLY-SJPCQFCGSA-N 2 0 311.429 2.997 20 0 DFADRP CSC1(C[NH2+]Cc2ccccc2C[NH+]2CCC(O)CC2)CC1 ZINC000348035291 285308612 /nfs/dbraw/zinc/30/86/12/285308612.db2.gz DRGITKCAIUWULF-UHFFFAOYSA-N 2 0 320.502 2.629 20 0 DFADRP C[C@@H](CCCC[NH3+])[NH2+]CCc1cccc2c1OC(F)(F)O2 ZINC000629512612 399629971 /nfs/dbraw/zinc/62/99/71/399629971.db2.gz DDKZFCXHGVOWPC-NSHDSACASA-N 2 0 300.349 2.658 20 0 DFADRP [NH3+][C@@H]1CCC[C@H]([NH2+][C@@H]2Cc3ccccc3O[C@H]2C(F)(F)F)C1 ZINC000629513084 399630469 /nfs/dbraw/zinc/63/04/69/399630469.db2.gz HOXXJRHWICVEIR-QVHKTLOISA-N 2 0 314.351 2.781 20 0 DFADRP CC[N@@H+]1CC[C@@H]([NH2+]Cc2ccc(COCCOC)cc2)[C@H](C)C1 ZINC000289876964 221287655 /nfs/dbraw/zinc/28/76/55/221287655.db2.gz WYWCZQVJIJAHHW-VQIMIIECSA-N 2 0 320.477 2.670 20 0 DFADRP CC(C)[C@@H](CSc1ccccc1)[NH2+]CC1([NH3+])CCOCC1 ZINC000629523700 399635536 /nfs/dbraw/zinc/63/55/36/399635536.db2.gz IDHUXEIKNJTBAJ-MRXNPFEDSA-N 2 0 308.491 2.901 20 0 DFADRP CC[C@@H]1[NH2+]CC[C@H]1N[C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000629527409 399636854 /nfs/dbraw/zinc/63/68/54/399636854.db2.gz VCSDLLAHXSHYGU-WZGPROSRSA-N 2 0 301.478 2.627 20 0 DFADRP CC[C@@H]1[NH2+]CC[C@H]1N[C@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000629527408 399636914 /nfs/dbraw/zinc/63/69/14/399636914.db2.gz VCSDLLAHXSHYGU-OQIJWPOYSA-N 2 0 301.478 2.627 20 0 DFADRP CC[C@@H]1[NH2+]CC[C@H]1N[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000629527540 399636923 /nfs/dbraw/zinc/63/69/23/399636923.db2.gz YDAGVOPUHIEAKP-LJDSDSDDSA-N 2 0 313.489 2.912 20 0 DFADRP C[NH2+]CCOCC[NH2+][C@@H](C)c1ccc(Oc2ccccc2)cn1 ZINC000629530792 399637664 /nfs/dbraw/zinc/63/76/64/399637664.db2.gz RLOXSPWNMLPKPR-HNNXBMFYSA-N 2 0 315.417 2.761 20 0 DFADRP C[NH2+]CCOCC[NH2+][C@@H](C)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000629530704 399637262 /nfs/dbraw/zinc/63/72/62/399637262.db2.gz NWIAKZOYIZHQNY-SDDRHHMPSA-N 2 0 302.871 2.719 20 0 DFADRP C[C@H]([NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1)c1ccc(Br)nc1 ZINC000289974210 221354159 /nfs/dbraw/zinc/35/41/59/221354159.db2.gz XNHLZRBUVQGASI-RYUDHWBXSA-N 2 0 324.266 2.979 20 0 DFADRP CC(C)c1cccc2c1OCCC[C@H]2[NH2+]CCOCCC[NH3+] ZINC000629535013 399639185 /nfs/dbraw/zinc/63/91/85/399639185.db2.gz CDZPKQRYIJCSCV-QGZVFWFLSA-N 2 0 306.450 2.979 20 0 DFADRP CC[C@@H]([NH2+]CCOCCC[NH3+])c1cccc(Br)c1 ZINC000629535110 399639210 /nfs/dbraw/zinc/63/92/10/399639210.db2.gz CQZYSCSTJKNDET-CQSZACIVSA-N 2 0 315.255 2.855 20 0 DFADRP Cc1cc(Cl)cc2c1OCCC[C@H]2[NH2+]CCOCCC[NH3+] ZINC000629539157 399640585 /nfs/dbraw/zinc/64/05/85/399640585.db2.gz OLSDKFNKWJMQCR-OAHLLOKOSA-N 2 0 312.841 2.817 20 0 DFADRP [NH3+]CCCOCC[NH2+][C@H]1CCc2c1ccc(Cl)c2Cl ZINC000629541964 399641971 /nfs/dbraw/zinc/64/19/71/399641971.db2.gz VDDNWQONUSZRST-ZDUSSCGKSA-N 2 0 303.233 2.936 20 0 DFADRP C[C@H](Cc1ccccc1)[NH+]1CCC(N[C@H]2CC[C@@H](C)[NH2+]C2)CC1 ZINC000629541980 399641500 /nfs/dbraw/zinc/64/15/00/399641500.db2.gz VYRYERALYGXELE-HLIPFELVSA-N 2 0 315.505 2.812 20 0 DFADRP CC(C)Oc1ccc(C[N@H+](C)CCOCC[NH3+])cc1Cl ZINC000629581136 399653482 /nfs/dbraw/zinc/65/34/82/399653482.db2.gz OFYBCEVFMZFZEE-UHFFFAOYSA-N 2 0 300.830 2.534 20 0 DFADRP CCc1ccc(C2CC[NH+](C[C@H]3CCC4(C[NH2+]C4)O3)CC2)cc1 ZINC000629584092 399656045 /nfs/dbraw/zinc/65/60/45/399656045.db2.gz NWVRQSUGMQAEIY-LJQANCHMSA-N 2 0 314.473 2.949 20 0 DFADRP CO[C@@H](C[NH+]1CCC(CO[C@@H]2CC[NH2+]C2)CC1)C1CCCCC1 ZINC000629591359 399658084 /nfs/dbraw/zinc/65/80/84/399658084.db2.gz GBKLFBDXMCOLCQ-MOPGFXCFSA-N 2 0 324.509 2.672 20 0 DFADRP C/C=C/C[C@@H]1CCC[N@H+](C[C@H](O)[C@@H]([NH3+])Cc2ccccc2)C1 ZINC000629595239 399659068 /nfs/dbraw/zinc/65/90/68/399659068.db2.gz LLHQKNCPLQVKMA-OUCJIUAGSA-N 2 0 302.462 2.596 20 0 DFADRP C[N@H+](CCC(=O)N[C@H]1CC[NH+](C(C)(C)C)C1)C1CCCCC1 ZINC000617344213 399669789 /nfs/dbraw/zinc/66/97/89/399669789.db2.gz DDDGDVFUSQHURI-HNNXBMFYSA-N 2 0 309.498 2.630 20 0 DFADRP C[C@@H]1[NH2+]CC[C@H]1N[C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000629544940 399642575 /nfs/dbraw/zinc/64/25/75/399642575.db2.gz OEWJXLRZLGUCJI-LFAQGZIKSA-N 2 0 313.489 2.627 20 0 DFADRP CC(C)(C)c1ncc2c(n1)CC[N@@H+](CCCC1CC[NH2+]CC1)C2 ZINC000629545489 399643089 /nfs/dbraw/zinc/64/30/89/399643089.db2.gz BUKOUSJYWJYYDK-UHFFFAOYSA-N 2 0 316.493 2.912 20 0 DFADRP [NH3+]CCC[N@@H+]1CC[C@@H](Sc2ccc(Br)cc2)C1 ZINC000629549648 399645104 /nfs/dbraw/zinc/64/51/04/399645104.db2.gz KVMOECIIUYIXAU-CYBMUJFWSA-N 2 0 315.280 2.964 20 0 DFADRP CC(C)C[C@@H]1CCC[C@H]([NH2+]Cc2cn([C@@H]3CC[NH2+]C3)nn2)C1 ZINC000629551870 399645200 /nfs/dbraw/zinc/64/52/00/399645200.db2.gz YCYHWABAVBTBDA-YQQAZPJKSA-N 2 0 305.470 2.507 20 0 DFADRP C[C@H]([NH2+]Cc1cn([C@H]2CC[NH2+]C2)nn1)[C@@H](C)C1CCCCC1 ZINC000629554039 399646575 /nfs/dbraw/zinc/64/65/75/399646575.db2.gz YSIVNTICZZDXGL-KEYYUXOJSA-N 2 0 305.470 2.507 20 0 DFADRP C[N@H+](CCCc1c(Cl)cccc1Cl)CCOCC[NH3+] ZINC000629663242 399681381 /nfs/dbraw/zinc/68/13/81/399681381.db2.gz HXHAADFHPJEZJB-UHFFFAOYSA-N 2 0 305.249 2.833 20 0 DFADRP COc1cc(-c2ccccc2)ccc1C[NH2+]CCOCCC[NH3+] ZINC000629677916 399686814 /nfs/dbraw/zinc/68/68/14/399686814.db2.gz ITOOPOAELNURCD-UHFFFAOYSA-N 2 0 314.429 2.817 20 0 DFADRP C[NH+](C)CCOc1cccc(-c2ccc(OCC[NH3+])cc2)c1 ZINC000629700602 399693951 /nfs/dbraw/zinc/69/39/51/399693951.db2.gz MEJYXSHFMBHNAL-UHFFFAOYSA-N 2 0 300.402 2.632 20 0 DFADRP C[NH2+]CCOCC[N@H+](C)Cc1cc(F)cc(C(F)(F)F)c1 ZINC000629652763 399676492 /nfs/dbraw/zinc/67/64/92/399676492.db2.gz DVBRUJVHLADGCG-UHFFFAOYSA-N 2 0 308.319 2.512 20 0 DFADRP Cn1ccnc1C[N@H+](CCc1ccccc1)[C@@H]1CC12CC[NH2+]CC2 ZINC000262156553 257257439 /nfs/dbraw/zinc/25/74/39/257257439.db2.gz RYNUWPMGZGANTP-GOSISDBHSA-N 2 0 324.472 2.607 20 0 DFADRP C[C@@H](C[NH2+][C@@H](c1ccc(F)cc1)C1CC1)N1CC[NH+](C)CC1 ZINC000271642410 209087028 /nfs/dbraw/zinc/08/70/28/209087028.db2.gz DXXSQMUSLKIWLC-KBXCAEBGSA-N 2 0 305.441 2.502 20 0 DFADRP [NH3+]C1CC[NH+](Cc2ccc(-c3cc(F)ccc3CO)cc2)CC1 ZINC000629732528 399706662 /nfs/dbraw/zinc/70/66/62/399706662.db2.gz PGJGDWLPORLVDQ-UHFFFAOYSA-N 2 0 314.404 2.908 20 0 DFADRP C[NH+](C)Cc1ccc(F)c(-c2nc3c(s2)C[C@@H]([NH3+])CC3)c1 ZINC000629736116 399707446 /nfs/dbraw/zinc/70/74/46/399707446.db2.gz CGDKZBFNDJZRJF-NSHDSACASA-N 2 0 305.422 2.827 20 0 DFADRP CCC[NH+]1CCC(N[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)CC1 ZINC000088670594 542528818 /nfs/dbraw/zinc/52/88/18/542528818.db2.gz SOIDRABGOANWHZ-PXNSSMCTSA-N 2 0 315.505 2.971 20 0 DFADRP CC(C)C[C@H]1COCC[N@@H+]1Cc1ccc(OCC[NH+](C)C)cc1 ZINC000093340043 542553112 /nfs/dbraw/zinc/55/31/12/542553112.db2.gz SIZJAGCZDHBCJN-SFHVURJKSA-N 2 0 320.477 2.874 20 0 DFADRP CC(C)C[NH+]1CCC([NH2+][C@H]2CCO[C@@H](C(F)(F)F)C2)CC1 ZINC000348082855 285335535 /nfs/dbraw/zinc/33/55/35/285335535.db2.gz LZFWFSUNFJDMCG-UONOGXRCSA-N 2 0 308.388 2.806 20 0 DFADRP C[NH+](C)CC1CCC(NC(=O)[C@@H]2CCCCCC[C@@H]2[NH3+])CC1 ZINC000423745735 296443127 /nfs/dbraw/zinc/44/31/27/296443127.db2.gz MTJQLQJMLADJOM-BACDZXNISA-N 2 0 309.498 2.521 20 0 DFADRP CC[C@H]1CC[C@@H]1[NH2+]CCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000348099689 285348219 /nfs/dbraw/zinc/34/82/19/285348219.db2.gz DUKNUILQQOZKER-PMACEKPBSA-N 2 0 315.505 2.973 20 0 DFADRP C[C@@H](C[NH2+][C@@H]1CCCCc2ccccc21)CN1CC[NH+](C)CC1 ZINC000121018129 195280777 /nfs/dbraw/zinc/28/07/77/195280777.db2.gz LFVSFZMOFARDSD-FXAWDEMLSA-N 2 0 315.505 2.927 20 0 DFADRP CCOc1cccc(C[N@H+](C)CC2CC[NH+](C[C@@H](C)O)CC2)c1 ZINC000121078585 195290829 /nfs/dbraw/zinc/29/08/29/195290829.db2.gz HPWMXWROWCGRBQ-MRXNPFEDSA-N 2 0 320.477 2.610 20 0 DFADRP C[C@H](C[NH2+][C@H]1c2cc(F)ccc2C[C@H]1C)CN1CC[NH+](C)CC1 ZINC000121098166 195293546 /nfs/dbraw/zinc/29/35/46/195293546.db2.gz DJGXKDSUNHBSDI-SPYBWZPUSA-N 2 0 319.468 2.532 20 0 DFADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+][C@H]2CCc3ccccc32)CC1 ZINC000121168032 195302190 /nfs/dbraw/zinc/30/21/90/195302190.db2.gz XLWQJTJKZSTMOB-LPHOPBHVSA-N 2 0 301.478 2.537 20 0 DFADRP Cc1cc(C[NH+](C)C)cc(NC(=O)[C@H]2[NH2+]CCCC2(C)C)c1 ZINC000423792845 296448955 /nfs/dbraw/zinc/44/89/55/296448955.db2.gz WFQRUOSRZBVMCT-MRXNPFEDSA-N 2 0 303.450 2.773 20 0 DFADRP C[C@H]([NH2+][C@@H]1CCN(c2ncccc2Cl)C1)C1CC[NH+](C)CC1 ZINC000120032271 542576717 /nfs/dbraw/zinc/57/67/17/542576717.db2.gz NWJYYALQUBGYGN-DZGCQCFKSA-N 2 0 322.884 2.634 20 0 DFADRP C[C@H]([NH2+]CC1CC[NH+](C)CC1)c1cnn(Cc2ccccc2)c1 ZINC000126352751 195831829 /nfs/dbraw/zinc/83/18/29/195831829.db2.gz UMXDRQGFDXIVMF-INIZCTEOSA-N 2 0 312.461 2.924 20 0 DFADRP c1cnn(-c2cccc(C[NH+]3CCN(c4cc[nH+]cc4)CC3)c2)c1 ZINC000120829744 542581131 /nfs/dbraw/zinc/58/11/31/542581131.db2.gz IOBNOUDKQIAEEC-UHFFFAOYSA-N 2 0 319.412 2.590 20 0 DFADRP CCO[C@@H](CC[NH+](C)C)C[NH2+][C@@H]1CCc2c1cc(F)cc2F ZINC000121528715 542585392 /nfs/dbraw/zinc/58/53/92/542585392.db2.gz DLHFASCDZJPJHB-SUMWQHHRSA-N 2 0 312.404 2.899 20 0 DFADRP C[N@H+](CC(=O)N1CCC[NH+](CC2CCCCC2)CC1)C1CCC1 ZINC000629951520 399765363 /nfs/dbraw/zinc/76/53/63/399765363.db2.gz WTJGWCZLDJMAIS-UHFFFAOYSA-N 2 0 321.509 2.585 20 0 DFADRP CC[NH+]1CCN(C[C@H](C)C[NH2+]C[C@H]2C[C@H]2c2ccccc2)CC1 ZINC000348246331 285447465 /nfs/dbraw/zinc/44/74/65/285447465.db2.gz PQFHRYMPIXXRRN-RLLQIKCJSA-N 2 0 315.505 2.653 20 0 DFADRP C[N@H+](CC(=O)N1CCC(C[NH+]2CCCCCC2)CC1)C1CCC1 ZINC000629949205 399764177 /nfs/dbraw/zinc/76/41/77/399764177.db2.gz XECPWVPDZDNQDZ-UHFFFAOYSA-N 2 0 321.509 2.585 20 0 DFADRP C[NH+](C)[C@H](CNC(=O)CC1(C[NH3+])CCCCC1)c1ccsc1 ZINC000274224437 130220442 /nfs/dbraw/zinc/22/04/42/130220442.db2.gz OPTJDOCNJZPIDB-OAHLLOKOSA-N 2 0 323.506 2.766 20 0 DFADRP C[N@H+](CC(=O)N1CCC[C@@H](C[NH+]2CCCCCC2)C1)C1CCC1 ZINC000629958931 399768596 /nfs/dbraw/zinc/76/85/96/399768596.db2.gz XSHCILDECUCPAO-KRWDZBQOSA-N 2 0 321.509 2.585 20 0 DFADRP CCC[NH+]1CCC([NH2+]C[C@H](C)Oc2ccc(OC)cc2)CC1 ZINC000128975471 542621588 /nfs/dbraw/zinc/62/15/88/542621588.db2.gz ZBGJWSBIJYCMHB-HNNXBMFYSA-N 2 0 306.450 2.927 20 0 DFADRP CCc1ccccc1[C@H]([NH3+])CNC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC000423937190 296468100 /nfs/dbraw/zinc/46/81/00/296468100.db2.gz GAXVUFKMKORGDN-MAUKXSAKSA-N 2 0 317.477 2.630 20 0 DFADRP C[N@@H+](Cc1ccccc1)CC1CC[NH+](Cc2cncnc2)CC1 ZINC000130904743 542634001 /nfs/dbraw/zinc/63/40/01/542634001.db2.gz MLUBPKDHDMUIIZ-UHFFFAOYSA-N 2 0 310.445 2.821 20 0 DFADRP CSc1ccc(C[NH2+]CC2(SC)CC[NH+](C)CC2)o1 ZINC000603430265 399774469 /nfs/dbraw/zinc/77/44/69/399774469.db2.gz ZBKVFXNHATWFTH-UHFFFAOYSA-N 2 0 300.493 2.919 20 0 DFADRP C[C@@H](C[NH+]1CCC(CC[NH+](C)C)CC1)NC(=O)OC(C)(C)C ZINC000492611360 299624495 /nfs/dbraw/zinc/62/44/95/299624495.db2.gz VOWAXPUSXASRKD-AWEZNQCLSA-N 2 0 313.486 2.563 20 0 DFADRP CC(C)(C[NH2+][C@H]1CCO[C@H](C(F)(F)F)C1)C[NH+]1CCCC1 ZINC000348273676 285465831 /nfs/dbraw/zinc/46/58/31/285465831.db2.gz AUANRQANXAMCNA-STQMWFEESA-N 2 0 308.388 2.808 20 0 DFADRP Cc1ccccc1[C@H]([C@@H](C)NC(=O)C[N@H+](C)C1CCC1)[NH+](C)C ZINC000629990564 399784603 /nfs/dbraw/zinc/78/46/03/399784603.db2.gz CTGCDPNDJIQARQ-BEFAXECRSA-N 2 0 317.477 2.587 20 0 DFADRP C[C@]1(C[NH2+]Cc2ccc(OCC[NH+]3CCCC3)cc2)CCCO1 ZINC000152942281 542679654 /nfs/dbraw/zinc/67/96/54/542679654.db2.gz ZPZGOFMXYPEYOO-LJQANCHMSA-N 2 0 318.461 2.820 20 0 DFADRP COCCC[NH+]1CCC([NH2+][C@@H]2CCc3ccc(F)cc32)CC1 ZINC000159146583 542716036 /nfs/dbraw/zinc/71/60/36/542716036.db2.gz NUESAJXNSOYAOX-GOSISDBHSA-N 2 0 306.425 2.904 20 0 DFADRP C[C@H]([NH3+])[C@@H]1CCCN(C(=O)CC[C@H]([NH3+])CC2CCCCC2)C1 ZINC000424076421 296483182 /nfs/dbraw/zinc/48/31/82/296483182.db2.gz LSUANITVFQNOKD-UAGQMJEPSA-N 2 0 309.498 2.650 20 0 DFADRP CCOC[C@H]1CCC[C@H]1[NH2+]CC1(SC)CC[NH+](C)CC1 ZINC000353627354 132137423 /nfs/dbraw/zinc/13/74/23/132137423.db2.gz VNSIRPFLRHBDSR-HUUCEWRRSA-N 2 0 300.512 2.609 20 0 DFADRP COC[C@H]([NH2+]Cc1ccc(OCC[NH+]2CCCC2)cc1)C1CC1 ZINC000161942206 542734898 /nfs/dbraw/zinc/73/48/98/542734898.db2.gz NTXGCBGKRSKMFI-IBGZPJMESA-N 2 0 318.461 2.676 20 0 DFADRP c1ccc(C2(C[NH2+][C@H]3CC[N@@H+]4CCC[C@@H]4C3)CCOCC2)cc1 ZINC000166141095 542750641 /nfs/dbraw/zinc/75/06/41/542750641.db2.gz OLPATJPZOGZTAC-RBUKOAKNSA-N 2 0 314.473 2.951 20 0 DFADRP [NH3+]C1(CC(=O)Nc2cccc(C[NH+]3CCCCC3)c2)CCC1 ZINC000165137710 542748885 /nfs/dbraw/zinc/74/88/85/542748885.db2.gz KRJVEOAFQSAUHA-UHFFFAOYSA-N 2 0 301.434 2.883 20 0 DFADRP C[NH+](C)[C@H](CNC(=O)CC[C@@H]([NH3+])CC1CCCCC1)C1CC1 ZINC000424136106 296487114 /nfs/dbraw/zinc/48/71/14/296487114.db2.gz QJKYIOJYUPEDOD-IAGOWNOFSA-N 2 0 309.498 2.521 20 0 DFADRP [NH3+][C@H](CCC(=O)NCC[NH+]1CCCCC1)CC1CCCCC1 ZINC000424135470 296486778 /nfs/dbraw/zinc/48/67/78/296486778.db2.gz MKTGAFKWQRQEJH-QGZVFWFLSA-N 2 0 309.498 2.666 20 0 DFADRP [NH3+][C@H](CCC(=O)NC[C@H]1CCC[C@@H]([NH3+])C1)CC1CCCCC1 ZINC000424174584 296490568 /nfs/dbraw/zinc/49/05/68/296490568.db2.gz MQHSMALZYAMMGL-GVDBMIGSSA-N 2 0 309.498 2.698 20 0 DFADRP CCC[NH+]1CCC([NH2+]CCCc2nc3ccccc3n2C)CC1 ZINC000183292804 542799374 /nfs/dbraw/zinc/79/93/74/542799374.db2.gz JEFOROYRHSMPHB-UHFFFAOYSA-N 2 0 314.477 2.970 20 0 DFADRP CC1CC[NH+](Cc2ccccc2CNC(=O)CC(C)(C)[NH3+])CC1 ZINC000236714133 542895932 /nfs/dbraw/zinc/89/59/32/542895932.db2.gz YHVIUKKWNUMHSM-UHFFFAOYSA-N 2 0 317.477 2.662 20 0 DFADRP CC1CC[NH+](Cc2ccc(NC(=O)CC(C)(C)[NH3+])cc2)CC1 ZINC000236713247 542896273 /nfs/dbraw/zinc/89/62/73/542896273.db2.gz LFKBPUCIECLSAM-UHFFFAOYSA-N 2 0 303.450 2.984 20 0 DFADRP C[N@H+](CCC1CCN(c2cc[nH+]cc2)CC1)[C@@H]1CCCC[C@H]1O ZINC000271288540 542965400 /nfs/dbraw/zinc/96/54/00/542965400.db2.gz BPCHJFNVCBMWFT-RTBURBONSA-N 2 0 317.477 2.923 20 0 DFADRP C[C@H]([NH2+][C@@H]1C[C@H]2CC[C@@H]1O2)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000274937624 542974919 /nfs/dbraw/zinc/97/49/19/542974919.db2.gz SFHCTXWUQAZYNR-NLNMYJFZSA-N 2 0 300.446 2.807 20 0 DFADRP C[C@@H](C[NH2+]Cc1ccc(C2CCC2)cc1)N1CC[NH+](C)CC1 ZINC000293472240 543020307 /nfs/dbraw/zinc/02/03/07/543020307.db2.gz FBTJNRKVXQPUKB-INIZCTEOSA-N 2 0 301.478 2.680 20 0 DFADRP C[C@@H]1C[C@@H]([NH2+]CCc2cccc(C(F)(F)F)n2)CC[N@@H+]1C ZINC000293768087 543020451 /nfs/dbraw/zinc/02/04/51/543020451.db2.gz RWKKAVCTVJFTMK-YPMHNXCESA-N 2 0 301.356 2.715 20 0 DFADRP Cc1cc(C[NH3+])cc(NC(=O)N2CCC[C@@H]([NH+]3CCCC3)C2)c1 ZINC000424448893 296510349 /nfs/dbraw/zinc/51/03/49/296510349.db2.gz YWTCXHMKSJAPOK-QGZVFWFLSA-N 2 0 316.449 2.546 20 0 DFADRP Cc1cc(C[NH3+])cc(NC(=O)N2CCC[C@H]([NH+]3CCCC3)C2)c1 ZINC000424448892 296510367 /nfs/dbraw/zinc/51/03/67/296510367.db2.gz YWTCXHMKSJAPOK-KRWDZBQOSA-N 2 0 316.449 2.546 20 0 DFADRP C[C@@H]1CSC[C@H]1[NH2+]Cc1ccc(OCCC[NH+](C)C)cc1 ZINC000353014547 146658509 /nfs/dbraw/zinc/65/85/09/146658509.db2.gz DRLVDMIKTCPGLD-RHSMWYFYSA-N 2 0 308.491 2.858 20 0 DFADRP Cc1cc(NC[C@H](c2cnn(C)c2)[NH+](C)C)c2ccccc2[nH+]1 ZINC000301293336 543045324 /nfs/dbraw/zinc/04/53/24/543045324.db2.gz QIWUJHDGDPOGLK-GOSISDBHSA-N 2 0 309.417 2.992 20 0 DFADRP CCN(C(=O)c1ccc(C[NH+](CC)CC)o1)[C@@H]1CC[N@H+](CC)C1 ZINC000617929290 399839179 /nfs/dbraw/zinc/83/91/79/399839179.db2.gz FWKBVYSQXMPFEF-OAHLLOKOSA-N 2 0 321.465 2.678 20 0 DFADRP CC(C)[NH+]1CCC(N(C)C(=O)CC[C@@H]([NH3+])c2ccccc2)CC1 ZINC000320536405 543082650 /nfs/dbraw/zinc/08/26/50/543082650.db2.gz JTHROAGSAGQDQZ-GOSISDBHSA-N 2 0 317.477 2.798 20 0 DFADRP CCC[N@@H+]1CC[C@H](N[C@@H](C)[C@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC000328264100 543095820 /nfs/dbraw/zinc/09/58/20/543095820.db2.gz NUVIVHHSGYSDOX-IHPCNDPISA-N 2 0 315.505 2.971 20 0 DFADRP C[C@H]1C[C@@H](CC[NH2+]Cc2cncnc2)C[N@@H+]1Cc1ccccc1 ZINC000338195238 543135135 /nfs/dbraw/zinc/13/51/35/543135135.db2.gz MFKCAAFZUMESKZ-FUHWJXTLSA-N 2 0 310.445 2.867 20 0 DFADRP c1cn(Cc2cccc(C[NH2+][C@H]3CC[N@@H+]4CCC[C@H]4C3)c2)cn1 ZINC000339066655 543139600 /nfs/dbraw/zinc/13/96/00/543139600.db2.gz CPDLACUFRUNJRR-OALUTQOASA-N 2 0 310.445 2.648 20 0 DFADRP Fc1ccc(N2CC[C@H](C[NH2+][C@@H]3CC[N@@H+]4CCC[C@H]4C3)C2)cc1 ZINC000339073802 543139669 /nfs/dbraw/zinc/13/96/69/543139669.db2.gz FHLCNCKSJPJQCC-SUMDDJOVSA-N 2 0 317.452 2.868 20 0 DFADRP C[C@H]1CCCC[N@@H+]1CCC(=O)NC[C@H](c1cccs1)[NH+](C)C ZINC000339234696 543142061 /nfs/dbraw/zinc/14/20/61/543142061.db2.gz UVHGBRURJWXRIV-LSDHHAIUSA-N 2 0 323.506 2.732 20 0 DFADRP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+]1CCCCC[C@H]1CCO ZINC000342826656 543164723 /nfs/dbraw/zinc/16/47/23/543164723.db2.gz TYVVJZVBHGHAPT-KRWDZBQOSA-N 2 0 314.433 2.703 20 0 DFADRP OC1CC[NH+](Cc2ccccc2C[NH2+][C@@H]2CC[C@@H]2C2CC2)CC1 ZINC000348103440 543183361 /nfs/dbraw/zinc/18/33/61/543183361.db2.gz BUPZXPQDHVYTHO-WOJBJXKFSA-N 2 0 314.473 2.922 20 0 DFADRP Cn1ccnc1[C@H]1CC[N@H+](Cc2ccncc2Br)C1 ZINC000625270057 399871029 /nfs/dbraw/zinc/87/10/29/399871029.db2.gz WMEYQJMTCIBNKX-LBPRGKRZSA-N 2 0 321.222 2.567 20 0 DFADRP CCC[C@H]([NH2+]C(C)C)C(=O)N1CC[NH+](C2CCC(C)CC2)CC1 ZINC000353817913 146774373 /nfs/dbraw/zinc/77/43/73/146774373.db2.gz UFJQHRBXOYFQCK-ABHNRTSZSA-N 2 0 323.525 2.876 20 0 DFADRP CC(C)[C@H]1CC[C@H]1[NH2+]Cc1cccc(C(=O)NCC[NH+](C)C)c1 ZINC000353497490 543235978 /nfs/dbraw/zinc/23/59/78/543235978.db2.gz OTRHKQMCGIYENJ-QZTJIDSGSA-N 2 0 317.477 2.502 20 0 DFADRP C[N@@H+]1CC[C@H]([NH2+]C[C@](C)(CO)Cc2ccccc2)[C@H]2CCC[C@H]21 ZINC000353681114 543237616 /nfs/dbraw/zinc/23/76/16/543237616.db2.gz ADVFDIHXRAXFLE-IYWMVGAKSA-N 2 0 316.489 2.690 20 0 DFADRP C[C@@H]([NH2+]C[C@H](O)C[NH+]1CCCC1)C1CCC(C(F)(F)F)CC1 ZINC000354205339 543242784 /nfs/dbraw/zinc/24/27/84/543242784.db2.gz AOKIRGGMGQBINU-URGYJCLVSA-N 2 0 322.415 2.790 20 0 DFADRP CC[NH+]1CCN(c2ccc(C[NH2+][C@@H](C)C3CCC3)cn2)CC1 ZINC000353930682 146834916 /nfs/dbraw/zinc/83/49/16/146834916.db2.gz HLPOXVUVGRCAJL-HNNXBMFYSA-N 2 0 302.466 2.502 20 0 DFADRP CCn1cncc1C[NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]12 ZINC000383737201 543299014 /nfs/dbraw/zinc/29/90/14/543299014.db2.gz XKYPJBSXJPJKFT-MISYRCLQSA-N 2 0 324.472 2.903 20 0 DFADRP C[C@H]([NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccc2[nH]c(=O)[nH]c2c1 ZINC000378903937 543296919 /nfs/dbraw/zinc/29/69/19/543296919.db2.gz YDHJRXOGGUEBHV-YUTCNCBUSA-N 2 0 300.406 2.546 20 0 DFADRP C[NH+]1CCN(C(C)(C)C[NH2+]Cc2ccc(C(F)F)cc2)CC1 ZINC000388183383 543303387 /nfs/dbraw/zinc/30/33/87/543303387.db2.gz NJXWWQSIQXKAAW-UHFFFAOYSA-N 2 0 311.420 2.740 20 0 DFADRP C[N@H+](C[C@H]1CC[NH+](Cc2ccccc2)C1)C[C@@H]1CCC[C@H](O)C1 ZINC000390821448 543306925 /nfs/dbraw/zinc/30/69/25/543306925.db2.gz YTJPFTXGZHGPKD-AQNXPRMDSA-N 2 0 316.489 2.991 20 0 DFADRP C[C@H]1CCCC[N@@H+]1CCCCNC(=O)c1ccc(C[NH3+])cc1 ZINC000165112166 145229107 /nfs/dbraw/zinc/22/91/07/145229107.db2.gz VUWBBPCRUQOHCL-HNNXBMFYSA-N 2 0 303.450 2.530 20 0 DFADRP C[C@H]1C[C@H](C)C[NH+](CCCCNC(=O)C2([NH3+])CCCCC2)C1 ZINC000165126918 145229883 /nfs/dbraw/zinc/22/98/83/145229883.db2.gz PEYQFFBSZBATLK-HOTGVXAUSA-N 2 0 309.498 2.522 20 0 DFADRP CC(C)[C@H](O)CC[NH2+][C@H](C)c1cccc(OCC[NH+](C)C)c1 ZINC000165399835 145231128 /nfs/dbraw/zinc/23/11/28/145231128.db2.gz VSMLWOOKLWWWGN-CRAIPNDOSA-N 2 0 308.466 2.685 20 0 DFADRP CC[C@H](C)[C@@H]([NH3+])C(=O)NC1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000167795047 145241911 /nfs/dbraw/zinc/24/19/11/145241911.db2.gz NMGHJRZHYMYACZ-RLFYNMQTSA-N 2 0 317.477 2.702 20 0 DFADRP C[C@H](CC(=O)NCCCCC[NH+]1CCCCC1)C1CC[NH2+]CC1 ZINC000168744077 145243858 /nfs/dbraw/zinc/24/38/58/145243858.db2.gz NWOVDWQEMQOGDB-QGZVFWFLSA-N 2 0 323.525 2.785 20 0 DFADRP CC[C@H](C)[N@H+](C)CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000170915559 145256088 /nfs/dbraw/zinc/25/60/88/145256088.db2.gz PMPULUNCFLUGQH-INIZCTEOSA-N 2 0 317.477 2.629 20 0 DFADRP Cc1nc(C)c([C@@H](C)[NH2+]C[C@@H](C(C)C)N2CC[NH+](C)CC2)s1 ZINC000170973035 145256511 /nfs/dbraw/zinc/25/65/11/145256511.db2.gz NOQWLOZOFMDGBJ-CJNGLKHVSA-N 2 0 324.538 2.683 20 0 DFADRP CCC[NH+](CCC)CCCC(=O)N1CCC[N@@H+](C2CC2)CC1 ZINC000170968113 145256704 /nfs/dbraw/zinc/25/67/04/145256704.db2.gz KTFNXCPCQHGLPR-UHFFFAOYSA-N 2 0 309.498 2.585 20 0 DFADRP Cc1cc(C[N@@H+](C)CC2CC[NH+](C[C@H](C)O)CC2)c(C)s1 ZINC000171589243 145272004 /nfs/dbraw/zinc/27/20/04/145272004.db2.gz AXYASNYQGMAXNI-ZDUSSCGKSA-N 2 0 310.507 2.890 20 0 DFADRP Brc1ccc(C[NH2+]C[C@@H]2CC[NH2+]C2)c2ncccc12 ZINC000414915904 543327783 /nfs/dbraw/zinc/32/77/83/543327783.db2.gz OUKQJAWTOYSAEL-LLVKDONJSA-N 2 0 320.234 2.696 20 0 DFADRP COc1c(Br)cccc1C[NH2+][C@@H]1CCC[C@H]([NH3+])C1 ZINC000414928140 543327788 /nfs/dbraw/zinc/32/77/88/543327788.db2.gz PWIXLYBGCLTWDA-NWDGAFQWSA-N 2 0 313.239 2.817 20 0 DFADRP C[C@H](C[NH3+])C[NH2+]Cc1ccc(Br)c2cccnc12 ZINC000414880867 543327966 /nfs/dbraw/zinc/32/79/66/543327966.db2.gz RFZONETTXRMPAA-SNVBAGLBSA-N 2 0 308.223 2.682 20 0 DFADRP Cc1cccc(NC(=O)C[C@H](C)[NH2+][C@H]2CCC[C@H]([NH3+])C2)c1C ZINC000414930176 543328128 /nfs/dbraw/zinc/32/81/28/543328128.db2.gz SPAHTBMKCOAOAT-BPUTZDHNSA-N 2 0 303.450 2.880 20 0 DFADRP C[C@@H](C(=O)N1CCC(C[NH+]2CCCC2)CC1)[NH+]1CCCCCC1 ZINC000175166348 145401171 /nfs/dbraw/zinc/40/11/71/145401171.db2.gz BNLUGOQQKDJCGY-KRWDZBQOSA-N 2 0 321.509 2.585 20 0 DFADRP CC[C@H](C(=O)Nc1ccc(C[NH+](C)C)cc1OC)[NH+](CC)CC ZINC000633373379 399894196 /nfs/dbraw/zinc/89/41/96/399894196.db2.gz JLASCTZXIUQBMJ-MRXNPFEDSA-N 2 0 321.465 2.816 20 0 DFADRP [NH3+][C@H]1CCC[C@@H](Nc2nccc(N3Cc4ccccc4C3)n2)C1 ZINC000630513543 399897129 /nfs/dbraw/zinc/89/71/29/399897129.db2.gz ODQRIVXOKDFMLV-JKSUJKDBSA-N 2 0 309.417 2.679 20 0 DFADRP c1ccc2c(c1)[nH+]ccc2N1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000630545818 399901295 /nfs/dbraw/zinc/90/12/95/399901295.db2.gz NMSZXDSRDUNMID-INIZCTEOSA-N 2 0 311.429 2.830 20 0 DFADRP C[NH+]1CCN(c2cc[nH+]c(NCc3cc(F)ccc3F)c2)CC1 ZINC000630961209 399954002 /nfs/dbraw/zinc/95/40/02/399954002.db2.gz MZPYJSUJFGMDKZ-UHFFFAOYSA-N 2 0 318.371 2.724 20 0 DFADRP C[C@@H](C(=O)N1CCC(C)([NH+]2CCCC2)CC1)[NH+]1[C@H](C)CC[C@H]1C ZINC000633943135 399963262 /nfs/dbraw/zinc/96/32/62/399963262.db2.gz CPHZAKVURRZEAO-ZACQAIPSSA-N 2 0 321.509 2.725 20 0 DFADRP CCC1([NH+]2CCCC2)CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC000633955031 399965235 /nfs/dbraw/zinc/96/52/35/399965235.db2.gz LYCPYGKMWPWVKK-IRXDYDNUSA-N 2 0 321.509 2.584 20 0 DFADRP Cc1cc(C)c(/C=C/C[NH2+]CCCN2CC[NH+](C)CC2)cc1C ZINC000631035247 399966138 /nfs/dbraw/zinc/96/61/38/399966138.db2.gz DKSAQIQVLUBKGS-FNORWQNLSA-N 2 0 315.505 2.852 20 0 DFADRP Cc1scc(C[NH2+]C[C@H](C(C)C)N2CC[NH+](C)CC2)c1C ZINC000631039155 399967245 /nfs/dbraw/zinc/96/72/45/399967245.db2.gz SBNFWKIUXKTUMA-QGZVFWFLSA-N 2 0 309.523 2.727 20 0 DFADRP COc1ccccc1N1CCC([NH2+]C[C@@H]2CCC[N@H+](C)C2)CC1 ZINC000631069282 399973992 /nfs/dbraw/zinc/97/39/92/399973992.db2.gz SDUYCGUDSADJSC-INIZCTEOSA-N 2 0 317.477 2.595 20 0 DFADRP CC[NH+]1CCC(CC[NH2+]Cc2c3c(nn2C)CCCC3)CC1 ZINC000631079117 399976289 /nfs/dbraw/zinc/97/62/89/399976289.db2.gz MDGSXNMBMTVMKM-UHFFFAOYSA-N 2 0 304.482 2.511 20 0 DFADRP CC[C@@H]1[C@@H](C(=O)N2CCC[C@H]([NH+]3[C@H](C)CC[C@H]3C)C2)CC[N@@H+]1C ZINC000630853201 399939400 /nfs/dbraw/zinc/93/94/00/399939400.db2.gz SBECENJVEVTEHT-DFBDCSAJSA-N 2 0 321.509 2.581 20 0 DFADRP COc1cc(F)cc(OC)c1C[NH2+]CC[C@H]1CCC[N@H+](C)C1 ZINC000631157695 399992265 /nfs/dbraw/zinc/99/22/65/399992265.db2.gz FJNXZCVWMJHPAY-CYBMUJFWSA-N 2 0 310.413 2.664 20 0 DFADRP C[C@@H]1C[C@@H](N(C)Cc2ccc(F)c(F)c2N(C)C)CC[N@@H+]1C ZINC000628183777 399997421 /nfs/dbraw/zinc/99/74/21/399997421.db2.gz MXZJNYXREVRBIR-OCCSQVGLSA-N 2 0 311.420 2.945 20 0 DFADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C[NH2+]Cc1cnn2c1CCC2 ZINC000631195253 400000691 /nfs/dbraw/zinc/00/06/91/400000691.db2.gz VGQKDFWGFARKEI-APWZRJJASA-N 2 0 324.472 2.687 20 0 DFADRP C[C@@H]1C[C@H]([NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)[C@H](C)O1 ZINC000631195705 400000830 /nfs/dbraw/zinc/00/08/30/400000830.db2.gz ZXMPXWDZNOOJRZ-CTRAYCPCSA-N 2 0 302.462 2.910 20 0 DFADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C[NH2+]CC1=CCCOC1 ZINC000631196062 400001320 /nfs/dbraw/zinc/00/13/20/400001320.db2.gz NKDSKDLNRNAYNV-VQIMIIECSA-N 2 0 300.446 2.691 20 0 DFADRP Cc1n[nH]c(C)c1C[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000631195834 400001569 /nfs/dbraw/zinc/00/15/69/400001569.db2.gz KNTHPZZGIUXPFM-KBXCAEBGSA-N 2 0 312.461 2.884 20 0 DFADRP Cc1ccc([C@H](C)C[NH2+]CCCC[N@@H+]2CCC[C@H]2CO)cc1 ZINC000628217296 400003420 /nfs/dbraw/zinc/00/34/20/400003420.db2.gz ROTHRRWALQOLBN-MJGOQNOKSA-N 2 0 304.478 2.925 20 0 DFADRP C[NH+](C)CCCN(CCC[NH+](C)C)Cc1ccc2cc[nH]c2c1 ZINC000628277108 400012356 /nfs/dbraw/zinc/01/23/56/400012356.db2.gz CQFUCMQVYRVCCD-UHFFFAOYSA-N 2 0 316.493 2.873 20 0 DFADRP Cc1ccc(C[N@@H+]2CC[C@H](N[C@H]3CC[NH+]4CCC[C@@H]4C3)C2)cc1 ZINC000631258872 400013941 /nfs/dbraw/zinc/01/39/41/400013941.db2.gz DIHJJAYGNWGICZ-SLFFLAALSA-N 2 0 313.489 2.786 20 0 DFADRP COCCC[NH+]1CCC([NH2+][C@H]2CCCc3ncccc32)CC1 ZINC000631575318 400053535 /nfs/dbraw/zinc/05/35/35/400053535.db2.gz RADHUJNVMIHKND-SFHVURJKSA-N 2 0 303.450 2.550 20 0 DFADRP CC[N@H+](C)[C@@H](C(=O)NC[C@H]1CCCC[NH+](C)C1)c1ccccc1 ZINC000628757221 400054023 /nfs/dbraw/zinc/05/40/23/400054023.db2.gz ZZNVCVDGINIBJR-SJLPKXTDSA-N 2 0 317.477 2.528 20 0 DFADRP C[C@H]([NH2+][C@H]1C[C@@H](C)O[C@H]1C)c1ccc(OCC[NH+](C)C)cc1 ZINC000631698886 400068070 /nfs/dbraw/zinc/06/80/70/400068070.db2.gz BOMYWLKALCBCPT-LLDVTBCESA-N 2 0 306.450 2.844 20 0 DFADRP Cc1ccc(C[NH+]2CC[C@H](N[C@H]3CC[N@H+](C)[C@@H](C)C3)C2)cc1 ZINC000631750040 400072319 /nfs/dbraw/zinc/07/23/19/400072319.db2.gz YBQKFDARVRYHOF-WDSOQIARSA-N 2 0 301.478 2.642 20 0 DFADRP C[C@@H](C1CC[NH+](C)CC1)[NH+]1CCN(c2cccc(F)c2)CC1 ZINC000631790165 400075143 /nfs/dbraw/zinc/07/51/43/400075143.db2.gz HVHOEWCSVRUJQT-HNNXBMFYSA-N 2 0 305.441 2.678 20 0 DFADRP Cc1ccc2[nH]c(C[NH2+]CC3CC[NH+](CCO)CC3)cc2c1C ZINC000349602921 285896622 /nfs/dbraw/zinc/89/66/22/285896622.db2.gz VZXMBYWPESQOBU-UHFFFAOYSA-N 2 0 315.461 2.579 20 0 DFADRP C[C@@H]([NH2+]CCOCC[NH+](C)C)C1CCC(C(F)(F)F)CC1 ZINC000433085887 543348393 /nfs/dbraw/zinc/34/83/93/543348393.db2.gz YDIMNAWCMFXDNV-IYXRBSQSSA-N 2 0 310.404 2.911 20 0 DFADRP Cc1nc(C(C)(C)C)sc1[C@@H](C)[NH2+]CCOCC[NH+](C)C ZINC000219304177 146000168 /nfs/dbraw/zinc/00/01/68/146000168.db2.gz LUEMTEAQIKRIDC-GFCCVEGCSA-N 2 0 313.511 2.978 20 0 DFADRP C[NH+](C)CCOCC[NH2+]Cc1ccc(Cl)c2cccnc12 ZINC000230004501 146012126 /nfs/dbraw/zinc/01/21/26/146012126.db2.gz SXXUPCHAYJBQID-UHFFFAOYSA-N 2 0 307.825 2.556 20 0 DFADRP CC(C)CC[NH+]1CCC(CNC(=O)[C@H]([NH3+])c2ccccc2)CC1 ZINC000236714056 146024175 /nfs/dbraw/zinc/02/41/75/146024175.db2.gz NXONJUOZHAJJQL-GOSISDBHSA-N 2 0 317.477 2.561 20 0 DFADRP CCCC[C@@H]([NH3+])C(=O)NCc1ccccc1C[NH+](CC)CC ZINC000236774304 146027612 /nfs/dbraw/zinc/02/76/12/146027612.db2.gz RAPVNJDYMDGRHP-QGZVFWFLSA-N 2 0 305.466 2.662 20 0 DFADRP CCCC[C@H]([NH3+])C(=O)NCC[C@@H](C)[N@H+](C)Cc1ccccc1 ZINC000236799031 146027640 /nfs/dbraw/zinc/02/76/40/146027640.db2.gz RRXKFJYCNRIYSC-WBVHZDCISA-N 2 0 305.466 2.531 20 0 DFADRP CC[NH+](CC)CCCN[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000236854264 146030505 /nfs/dbraw/zinc/03/05/05/146030505.db2.gz YUMWHAHCRHZPJT-LJQANCHMSA-N 2 0 303.494 2.973 20 0 DFADRP CSCC[C@@H]([NH3+])C(=O)Nc1cccc(C[NH+]2CCCCC2)c1 ZINC000237281119 146040612 /nfs/dbraw/zinc/04/06/12/146040612.db2.gz MCRSCOKHWNAMID-MRXNPFEDSA-N 2 0 321.490 2.691 20 0 DFADRP CC[N@@H+]1CC[C@@H](N(C)Cc2ccc(C(=O)OC)cc2)[C@@H](C)C1 ZINC000245421072 146068631 /nfs/dbraw/zinc/06/86/31/146068631.db2.gz HUIDGLBZSZIEHC-WMLDXEAASA-N 2 0 304.434 2.635 20 0 DFADRP CC[N@@H+]1CC[C@H](N(C)CC(=O)Nc2cccc(Cl)c2)[C@@H](C)C1 ZINC000245421225 146069288 /nfs/dbraw/zinc/06/92/88/146069288.db2.gz HVGBMRVTLLPNBE-BBRMVZONSA-N 2 0 323.868 2.941 20 0 DFADRP Cc1cccc2c1[C@H](C)C[C@@H]2[NH2+]C[C@H](C)N1CC[NH+](C)CC1 ZINC000245509719 146078577 /nfs/dbraw/zinc/07/85/77/146078577.db2.gz UZLQLJNYXVHKTI-RYRKJORJSA-N 2 0 301.478 2.769 20 0 DFADRP C[C@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](CCCn2ccnc2)C1 ZINC000245854924 146105362 /nfs/dbraw/zinc/10/53/62/146105362.db2.gz HDJXZCYHHVSADQ-ROUUACIJSA-N 2 0 304.482 2.860 20 0 DFADRP Cc1nccn1C[C@@H]1CCCN1c1nc2cccc(F)c2n1C ZINC000443509339 543357618 /nfs/dbraw/zinc/35/76/18/543357618.db2.gz MRESEHNMNCOCSV-ZDUSSCGKSA-N 2 0 313.380 2.886 20 0 DFADRP C[N@@H+]1CCCN(CCC[NH2+][C@H](c2ccccc2)C2CC2)CC1 ZINC000245970091 146112435 /nfs/dbraw/zinc/11/24/35/146112435.db2.gz FNAWGUXOMAYRKV-LJQANCHMSA-N 2 0 301.478 2.755 20 0 DFADRP OC[C@@H]1CCC[N@@H+]1CCCC[NH2+][C@H](c1ccccc1)C1CC1 ZINC000246089113 146118943 /nfs/dbraw/zinc/11/89/43/146118943.db2.gz NNPYUYOJYWUYGZ-RBUKOAKNSA-N 2 0 302.462 2.964 20 0 DFADRP C[C@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000246289656 146136346 /nfs/dbraw/zinc/13/63/46/146136346.db2.gz KSRXYVPEWIMOJJ-WMLDXEAASA-N 2 0 318.465 2.552 20 0 DFADRP CC[N@@H+]1CC[C@@H]([NH2+]Cc2cccc(OCCCOC)c2)[C@@H](C)C1 ZINC000246596540 146144524 /nfs/dbraw/zinc/14/45/24/146144524.db2.gz ZUWLJUTXGMWZHV-QFBILLFUSA-N 2 0 320.477 2.922 20 0 DFADRP CC[N@@H+]1CC[C@@H](C[NH2+][C@H](C)c2cccc(N3CCCC3=O)c2)C1 ZINC000247144086 146163494 /nfs/dbraw/zinc/16/34/94/146163494.db2.gz SNZDXKJLJICYNC-CVEARBPZSA-N 2 0 315.461 2.806 20 0 DFADRP CC1(C)[C@H](O)C[C@@H]1[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000248886129 146174346 /nfs/dbraw/zinc/17/43/46/146174346.db2.gz MCBIZNMAKSZKKG-XCDZQEORSA-N 2 0 314.473 2.931 20 0 DFADRP C[C@H](CCC1CC1)[NH2+]Cc1ccccc1C[N@@H+]1CC[C@@H](O)C1 ZINC000249003957 146183230 /nfs/dbraw/zinc/18/32/30/146183230.db2.gz NNLAYFFXDGKXME-DNVCBOLYSA-N 2 0 302.462 2.922 20 0 DFADRP OCCC1(C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)CC1 ZINC000249045936 146184260 /nfs/dbraw/zinc/18/42/60/146184260.db2.gz VYIUQPGNHWPOJQ-LDLYASANSA-N 2 0 314.473 2.934 20 0 DFADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCC[NH2+]C2C[C@H]3CC[C@@H](C2)[NH+]3C)C1 ZINC000249059354 146185985 /nfs/dbraw/zinc/18/59/85/146185985.db2.gz ZOIBFLBFJRAZJC-ZCHBJMIBSA-N 3 0 307.526 2.959 20 0 DFADRP C(CN1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1)C[NH+]1CCCCC1 ZINC000249348523 146194040 /nfs/dbraw/zinc/19/40/40/146194040.db2.gz KBXLNPIXIHCMAY-HKUYNNGSSA-N 2 0 305.510 2.811 20 0 DFADRP C[C@@H](C(=O)NCCC[NH+]1CCCC[C@H]1C)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000249749638 146205736 /nfs/dbraw/zinc/20/57/36/146205736.db2.gz QBPHECZQDSFGSZ-NCOADZHNSA-N 2 0 309.498 2.628 20 0 DFADRP Cc1[nH]nc2ncc(C[NH+]3CCC(CCC[NH+](C)C)CC3)cc12 ZINC000354116603 146910317 /nfs/dbraw/zinc/91/03/17/146910317.db2.gz NNCMFNVBEGUVOB-UHFFFAOYSA-N 2 0 315.465 2.820 20 0 DFADRP [NH3+][C@@H]1C[C@H](N[C@@H]2CC[N@H+](Cc3ccccc3)C2)c2ccccc21 ZINC000261555150 146239758 /nfs/dbraw/zinc/23/97/58/146239758.db2.gz UUDHVEJSSMBFKT-AHRSYUTCSA-N 2 0 307.441 2.995 20 0 DFADRP CCN(C[C@@H]1CCC[NH2+]C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000261556875 146240481 /nfs/dbraw/zinc/24/04/81/146240481.db2.gz WKXSYEJVGDTXQD-RTBURBONSA-N 2 0 301.478 2.582 20 0 DFADRP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+][C@@H]1CCCN(Cc2ccccc2)C1 ZINC000261557893 146240882 /nfs/dbraw/zinc/24/08/82/146240882.db2.gz XUNGPLRXHAOUDC-IPMKNSEASA-N 2 0 301.478 2.758 20 0 DFADRP C[C@H](C[C@H]1CCC[NH2+]1)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000261556791 146241014 /nfs/dbraw/zinc/24/10/14/146241014.db2.gz WIJCUNJWJCMWFT-VQIMIIECSA-N 2 0 301.478 2.771 20 0 DFADRP C[C@H](c1ccc(F)c(Cl)c1)[N@@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000261641495 146252442 /nfs/dbraw/zinc/25/24/42/146252442.db2.gz IQFQZJLRZGBPPL-TZMCWYRMSA-N 2 0 311.832 2.520 20 0 DFADRP C[C@@]1(C[NH3+])CC[N@H+](Cc2ccc(OCC(F)(F)F)cc2)C1 ZINC000261707145 146263827 /nfs/dbraw/zinc/26/38/27/146263827.db2.gz MCIWCHHQZAASJM-AWEZNQCLSA-N 2 0 302.340 2.798 20 0 DFADRP [NH3+]C[C@@H]1C[N@H+](Cc2cccc3c2OCO3)C[C@H]1c1ccccc1 ZINC000261796374 146277185 /nfs/dbraw/zinc/27/71/85/146277185.db2.gz VMGNVCNGETUBTR-SJORKVTESA-N 2 0 310.397 2.590 20 0 DFADRP Cc1cccc2ncc(C[N@@H+]3C[C@@H](C[NH3+])[C@H](c4ccccc4)C3)n21 ZINC000261802508 146278822 /nfs/dbraw/zinc/27/88/22/146278822.db2.gz VYOWQVQLJTXEJE-MJGOQNOKSA-N 2 0 320.440 2.817 20 0 DFADRP CN1CCN(C(=O)C[C@H]([NH3+])c2ccccc2)[C@@H](c2ccccc2)C1 ZINC000261808389 146279875 /nfs/dbraw/zinc/27/98/75/146279875.db2.gz GDKSBAVCXHACKN-RBUKOAKNSA-N 2 0 323.440 2.592 20 0 DFADRP O=C(CC[C@@H]1CC[NH2+]C1)Nc1ccc(CC[NH+]2CCCC2)cc1 ZINC000261858313 146290298 /nfs/dbraw/zinc/29/02/98/146290298.db2.gz PKKWJFFPQCSQQN-QGZVFWFLSA-N 2 0 315.461 2.653 20 0 DFADRP CCN(C[C@]1(C)CC[NH2+]C1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000261909160 146300497 /nfs/dbraw/zinc/30/04/97/146300497.db2.gz XTBROZYCHWGAMW-RBUKOAKNSA-N 2 0 301.478 2.582 20 0 DFADRP Cc1ccc(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)c(-c2cnn(C)c2)c1 ZINC000261925859 146302552 /nfs/dbraw/zinc/30/25/52/146302552.db2.gz LAQLLHGVMCTSBT-CWFSZBLJSA-N 2 0 324.472 2.955 20 0 DFADRP Cc1ccc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)c(-c2cnn(C)c2)c1 ZINC000261925869 146302611 /nfs/dbraw/zinc/30/26/11/146302611.db2.gz LAQLLHGVMCTSBT-YSSFQJQWSA-N 2 0 324.472 2.955 20 0 DFADRP C[C@@]1(C[NH+]2CCC(N3CCc4cc(F)ccc43)CC2)CC[NH2+]C1 ZINC000261925711 146303098 /nfs/dbraw/zinc/30/30/98/146303098.db2.gz CDECTLHFKDNJRG-LJQANCHMSA-N 2 0 317.452 2.652 20 0 DFADRP Cc1nc2ccccc2n1C[C@@H]1CCC[N@@H+]1C[C@@H]1CCC[NH2+]C1 ZINC000261929637 146303984 /nfs/dbraw/zinc/30/39/84/146303984.db2.gz LKJRHZVGGIBABO-SJORKVTESA-N 3 0 312.461 2.809 20 0 DFADRP C[NH2+]C[C@@H]1CCCN(Cc2ccc(OC)c(OC(F)F)c2)C1 ZINC000261950938 146309268 /nfs/dbraw/zinc/30/92/68/146309268.db2.gz MXNSKWPDECOPQK-ZDUSSCGKSA-N 2 0 314.376 2.728 20 0 DFADRP C[NH2+]CCC1CC[NH+](CCC(=O)Nc2cccc(Cl)c2)CC1 ZINC000261959510 146309970 /nfs/dbraw/zinc/30/99/70/146309970.db2.gz OLTKLCJSARCSSB-UHFFFAOYSA-N 2 0 323.868 2.990 20 0 DFADRP C[C@H](NC(=O)C[N@@H+]1CCC[C@H](CC[NH3+])C1)c1ccccc1Cl ZINC000261980821 146316012 /nfs/dbraw/zinc/31/60/12/146316012.db2.gz RHFQXEITOGOAOB-UONOGXRCSA-N 2 0 323.868 2.578 20 0 DFADRP Fc1ccc(OC2CC[NH+](C[C@H]3CCC[NH2+]C3)CC2)c(F)c1 ZINC000261989850 146316681 /nfs/dbraw/zinc/31/66/81/146316681.db2.gz SFGFYHPUVGCAPG-ZDUSSCGKSA-N 2 0 310.388 2.808 20 0 DFADRP C[NH2+]CCC1CC[NH+]([C@H](C)C(=O)Nc2ccc(Cl)cc2)CC1 ZINC000262000365 146318781 /nfs/dbraw/zinc/31/87/81/146318781.db2.gz PHUSVLKAQLLWIV-CYBMUJFWSA-N 2 0 323.868 2.989 20 0 DFADRP Cc1ccc(NC(=O)NC[C@H]2CCCN(CC(C)(C)[NH3+])C2)cc1 ZINC000262039446 146326045 /nfs/dbraw/zinc/32/60/45/146326045.db2.gz YEVPOURSWVTEIQ-OAHLLOKOSA-N 2 0 318.465 2.566 20 0 DFADRP CCOc1cc(C[N@@H+]2CC[C@H]([C@H](C)[NH3+])C2)ccc1OC(F)F ZINC000262355325 146353317 /nfs/dbraw/zinc/35/33/17/146353317.db2.gz VRXJFBDHJJIOTQ-AAEUAGOBSA-N 2 0 314.376 2.856 20 0 DFADRP CCOc1cc(C[N@@H+]2CC[C@@H]([C@@H](C)[NH3+])C2)ccc1OC(F)F ZINC000262355327 146353416 /nfs/dbraw/zinc/35/34/16/146353416.db2.gz VRXJFBDHJJIOTQ-DGCLKSJQSA-N 2 0 314.376 2.856 20 0 DFADRP C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000262635835 146379795 /nfs/dbraw/zinc/37/97/95/146379795.db2.gz HYDYWGQWIDUIJP-CSNJMZFVSA-N 2 0 321.509 2.678 20 0 DFADRP Cc1ccc(C[NH+](C)C)cc1NC(=O)[C@@H]1CCCC[C@@]1(C)[NH3+] ZINC000262692967 146383045 /nfs/dbraw/zinc/38/30/45/146383045.db2.gz ARIJIOGJNXNOGU-MAUKXSAKSA-N 2 0 303.450 2.903 20 0 DFADRP CCC[C@](C)([NH3+])C(=O)NC[C@H](c1ccsc1)[NH+](CC)CC ZINC000262703674 146383341 /nfs/dbraw/zinc/38/33/41/146383341.db2.gz KOSNFTUGWHRSKD-ZBFHGGJFSA-N 2 0 311.495 2.765 20 0 DFADRP CCC[C@](C)([NH3+])C(=O)NC1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC000262707268 146383968 /nfs/dbraw/zinc/38/39/68/146383968.db2.gz NGTBLBNNKVYGAA-BEFAXECRSA-N 2 0 317.477 2.846 20 0 DFADRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+]Cc1cnc(C2CCC2)s1 ZINC000349827856 285949922 /nfs/dbraw/zinc/94/99/22/285949922.db2.gz KJCUIPVQGDPHMZ-CQSZACIVSA-N 2 0 322.522 2.526 20 0 DFADRP C[C@](CO)(C[NH2+]C1CC[NH+](CC2CC2)CC1)Cc1ccccc1 ZINC000514982084 543422331 /nfs/dbraw/zinc/42/23/31/543422331.db2.gz HTKBVGGZLSVGCG-HXUWFJFHSA-N 2 0 316.489 2.692 20 0 DFADRP CC(C)CC[NH+]1CCC(CNC(=O)[C@H]2CC[N@H+](C)[C@H](C)C2)CC1 ZINC000354833991 147169709 /nfs/dbraw/zinc/16/97/09/147169709.db2.gz RRRZHLFZHQZTMR-AEFFLSMTSA-N 2 0 323.525 2.591 20 0 DFADRP CCC[C@H]([NH2+]C(C)C)C(=O)N1CC[NH+](C2CCCCC2)CC1 ZINC000354925651 147196933 /nfs/dbraw/zinc/19/69/33/147196933.db2.gz ZNUWXIVRWOWJFD-KRWDZBQOSA-N 2 0 309.498 2.630 20 0 DFADRP Cc1cc(NC(=O)CC[N@H+]2CCCC[C@@H]2C)cn2ccnc12 ZINC000355407333 147303369 /nfs/dbraw/zinc/30/33/69/147303369.db2.gz ZOXAACBBAOUKRH-AWEZNQCLSA-N 2 0 300.406 2.846 20 0 DFADRP CC[NH+](CC)C[C@@H](C)NC(=O)[C@@H](c1ccccc1)[NH+](CC)CC ZINC000355594285 147377103 /nfs/dbraw/zinc/37/71/03/147377103.db2.gz KPEDUMAMNKRFMO-SJLPKXTDSA-N 2 0 319.493 2.916 20 0 DFADRP CC[NH+]1CCC(NC(=O)C[NH2+][C@@H](C)c2cccc(Cl)c2)CC1 ZINC000357633721 148064925 /nfs/dbraw/zinc/06/49/25/148064925.db2.gz DVXTULUSTOSZGS-ZDUSSCGKSA-N 2 0 323.868 2.591 20 0 DFADRP COC1CC[NH+](C2(CNc3cc[nH+]c(C)c3)CCCC2)CC1 ZINC000357691103 148086256 /nfs/dbraw/zinc/08/62/56/148086256.db2.gz QBBGHYBFSBDITN-UHFFFAOYSA-N 2 0 303.450 2.647 20 0 DFADRP CCC(C)(C)[NH2+][C@H](C)C(=O)N[C@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000357718205 148095330 /nfs/dbraw/zinc/09/53/30/148095330.db2.gz WKBWTFXNBSPLNC-OAGGEKHMSA-N 2 0 323.525 2.922 20 0 DFADRP COC[C@@H](Cc1ccccc1)[NH2+]CC(C)(C)C[NH+]1CCCC1 ZINC000357856708 148152554 /nfs/dbraw/zinc/15/25/54/148152554.db2.gz SXXJVCLMWGVPDP-GOSISDBHSA-N 2 0 304.478 2.956 20 0 DFADRP CO[C@H](C)[C@H](C)[NH2+]Cc1ccccc1C[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000358026026 148217618 /nfs/dbraw/zinc/21/76/18/148217618.db2.gz UHUAPWIECQQMSI-LUKYLMHMSA-N 2 0 320.477 2.809 20 0 DFADRP C(Cc1nc2c(s1)CCCC2)[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000358151091 148261398 /nfs/dbraw/zinc/26/13/98/148261398.db2.gz BZUQSCBQZIAZOJ-KGLIPLIRSA-N 2 0 305.491 2.781 20 0 DFADRP CC[NH+](CC)CCOCC[NH2+]Cc1cc(F)cc2cccnc21 ZINC000350269214 286023399 /nfs/dbraw/zinc/02/33/99/286023399.db2.gz RFVXVDLOVOLXKL-UHFFFAOYSA-N 2 0 319.424 2.822 20 0 DFADRP CC[NH+](CC)CCO[C@H]1CC[N@H+](CCOc2cccc(F)c2)C1 ZINC000350285459 286024374 /nfs/dbraw/zinc/02/43/74/286024374.db2.gz IBANQAKANGBPDE-SFHVURJKSA-N 2 0 324.440 2.637 20 0 DFADRP Cc1noc(C)c1[C@@H](C)C[NH2+]Cc1cc(C2CC[NH2+]CC2)no1 ZINC000425895406 296603385 /nfs/dbraw/zinc/60/33/85/296603385.db2.gz IJEQJJOZPWAQMU-NSHDSACASA-N 2 0 318.421 2.640 20 0 DFADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]CCc2ccncc2C)[C@@H](C)C1 ZINC000358253393 148306594 /nfs/dbraw/zinc/30/65/94/148306594.db2.gz OZNJBOKZOKVNSD-HKUYNNGSSA-N 2 0 319.493 2.659 20 0 DFADRP CC[NH+](CC)CCOCC[NH2+]Cc1cc(F)c(F)c(F)c1 ZINC000350316775 286028077 /nfs/dbraw/zinc/02/80/77/286028077.db2.gz LTMJKOTWQYFHOU-UHFFFAOYSA-N 2 0 304.356 2.552 20 0 DFADRP C[C@@H](C(=O)Nc1cccc(Cl)c1)[N@@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000358503807 148380438 /nfs/dbraw/zinc/38/04/38/148380438.db2.gz FQHOLWUPPYTVJH-ZDUSSCGKSA-N 2 0 321.852 2.743 20 0 DFADRP C[C@H](c1nc(-c2ccccc2)no1)[N@@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000358516026 148382160 /nfs/dbraw/zinc/38/21/60/148382160.db2.gz NUURFBWOJGPFQL-CQSZACIVSA-N 2 0 312.417 2.873 20 0 DFADRP C[C@H](CN[C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21)[NH+](C)C ZINC000358560544 148386611 /nfs/dbraw/zinc/38/66/11/148386611.db2.gz FCVBSTKSTZQPRH-GSEOLPGOSA-N 2 0 315.505 2.827 20 0 DFADRP Cc1ccsc1C[NH+]1CCC(C)(C[NH+]2CCN(C)CC2)CC1 ZINC000350451837 286043727 /nfs/dbraw/zinc/04/37/27/286043727.db2.gz CTVYSGFBSMEPBU-UHFFFAOYSA-N 2 0 321.534 2.906 20 0 DFADRP CC[C@@H](C(=O)NC1CC[NH+](C2CCCC2)CC1)[NH+](CC)CC ZINC000361195001 149051686 /nfs/dbraw/zinc/05/16/86/149051686.db2.gz FJXXLIDAGQYILB-KRWDZBQOSA-N 2 0 309.498 2.630 20 0 DFADRP C[C@H](CCc1ccsc1)[NH2+]CCCN1CCC[N@H+](C)CC1 ZINC000361239701 149063294 /nfs/dbraw/zinc/06/32/94/149063294.db2.gz XGDNTTDKQPUJEN-MRXNPFEDSA-N 2 0 309.523 2.686 20 0 DFADRP C[C@@H](CCc1ccsc1)[NH2+]CCCN1CCC[N@H+](C)CC1 ZINC000361239700 149063523 /nfs/dbraw/zinc/06/35/23/149063523.db2.gz XGDNTTDKQPUJEN-INIZCTEOSA-N 2 0 309.523 2.686 20 0 DFADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@](C)(O)C1CC1 ZINC000361347213 149092204 /nfs/dbraw/zinc/09/22/04/149092204.db2.gz TXMIINUZHVVKBE-LZQZEXGQSA-N 2 0 302.462 2.648 20 0 DFADRP COc1c[nH+]ccc1N1CC[NH+](CCCCOC(C)(C)C)CC1 ZINC000361530777 149140461 /nfs/dbraw/zinc/14/04/61/149140461.db2.gz LIRWQGNONWRFAH-UHFFFAOYSA-N 2 0 321.465 2.808 20 0 DFADRP C[N@@H+]1CCC[C@H]1CC[NH+]1CCC[C@@](CO)(Cc2ccccc2)C1 ZINC000361596586 149163123 /nfs/dbraw/zinc/16/31/23/149163123.db2.gz UCLPKOITFKYKCG-VQTJNVASSA-N 2 0 316.489 2.788 20 0 DFADRP C[C@H]1C[N@H+](C)CC[C@H]1[NH2+]Cc1cc(N(C)C)nc2ccccc12 ZINC000361806475 149225919 /nfs/dbraw/zinc/22/59/19/149225919.db2.gz IROBPROVBZZVTM-WMLDXEAASA-N 2 0 312.461 2.731 20 0 DFADRP C[C@H]1CCC[C@@H](C[NH2+]Cc2ccnc(OCC[NH+](C)C)c2)C1 ZINC000350834636 286094219 /nfs/dbraw/zinc/09/42/19/286094219.db2.gz RLIIAHRJXQPLMD-JKSUJKDBSA-N 2 0 305.466 2.938 20 0 DFADRP Cc1nn(C(C)C)cc1C[NH2+]CCCC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000361887201 149246942 /nfs/dbraw/zinc/24/69/42/149246942.db2.gz CUKNFTYJIMMOEH-HOTGVXAUSA-N 2 0 322.497 2.751 20 0 DFADRP C[C@H](C(=O)NCCC1=CCCCC1)[NH+]1CCC(C[NH+](C)C)CC1 ZINC000350948937 286101550 /nfs/dbraw/zinc/10/15/50/286101550.db2.gz JJKWAACHUBCYCY-MRXNPFEDSA-N 2 0 321.509 2.655 20 0 DFADRP C[C@@H](C(=O)NCCC1=CCCCC1)[NH+]1CCC(C[NH+](C)C)CC1 ZINC000350948934 286101570 /nfs/dbraw/zinc/10/15/70/286101570.db2.gz JJKWAACHUBCYCY-INIZCTEOSA-N 2 0 321.509 2.655 20 0 DFADRP Cc1ccc(CN[C@@H]2CC[N@@H+](C)C[C@H]2C)c(O[C@H]2CCOC2)c1 ZINC000361983838 149270368 /nfs/dbraw/zinc/27/03/68/149270368.db2.gz QIKZKCBZAISHBG-BPQIPLTHSA-N 2 0 318.461 2.593 20 0 DFADRP Cc1ccc(C)c(C[N@@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@H](C)C2)c1 ZINC000362079447 149290009 /nfs/dbraw/zinc/29/00/09/149290009.db2.gz PDXFASHWBVMHOF-UYAOXDASSA-N 2 0 315.505 2.761 20 0 DFADRP COc1cc(F)c([C@@H](C)[NH2+]CC2CC[NH+](C)CC2)cc1OC ZINC000351328184 286121490 /nfs/dbraw/zinc/12/14/90/286121490.db2.gz MTMJTPXEAKJGFV-GFCCVEGCSA-N 2 0 310.413 2.835 20 0 DFADRP CSc1ccc([C@H](C)[NH2+]CCOCC[NH+](C)C)cc1F ZINC000351501100 286137060 /nfs/dbraw/zinc/13/70/60/286137060.db2.gz IHHBIKOOFHUOHD-LBPRGKRZSA-N 2 0 300.443 2.776 20 0 DFADRP C[N@H+](Cc1ccccc1)[C@@H]1CCN(CC[C@H]2CCC[NH+]2C)C1 ZINC000371205299 150001793 /nfs/dbraw/zinc/00/17/93/150001793.db2.gz QHXHPCFFQBORCS-RTBURBONSA-N 2 0 301.478 2.677 20 0 DFADRP C[N@H+](Cc1ccccc1)[C@H]1CCN(CC[C@@H]2CCC[NH+]2C)C1 ZINC000371205297 150003014 /nfs/dbraw/zinc/00/30/14/150003014.db2.gz QHXHPCFFQBORCS-OALUTQOASA-N 2 0 301.478 2.677 20 0 DFADRP C[C@@H]([NH2+]CCN1CC[N@H+](C)C[C@@H]1c1ccccc1)c1ccncc1 ZINC000371391934 150037188 /nfs/dbraw/zinc/03/71/88/150037188.db2.gz IEFRLZBDIULYLE-YLJYHZDGSA-N 2 0 324.472 2.721 20 0 DFADRP Cc1cccc2ncc(CN3C[C@@H]4C[N@@H+]5CCCC[C@H]5[C@H]4C3)n21 ZINC000371403593 150040818 /nfs/dbraw/zinc/04/08/18/150040818.db2.gz VCHSEMCEHFEZCN-NJAFHUGGSA-N 2 0 310.445 2.559 20 0 DFADRP Cc1noc(C2CCC([NH2+][C@H]3CC[N@@H+]4CCC[C@@H]4C3)CC2)n1 ZINC000371449761 150049512 /nfs/dbraw/zinc/04/95/12/150049512.db2.gz XAUJUIISCPFAMS-SSHXOBKSSA-N 2 0 304.438 2.621 20 0 DFADRP Cc1ncc(CN2CC[C@@H]3CC[N@@H+](C)[C@@H]3C2)n1-c1ccccc1 ZINC000371541304 150063163 /nfs/dbraw/zinc/06/31/63/150063163.db2.gz AEBYPQWFVCGVEL-QFBILLFUSA-N 2 0 310.445 2.707 20 0 DFADRP Cc1cc(F)ccc1C[N@@H+](C)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000371693450 150083044 /nfs/dbraw/zinc/08/30/44/150083044.db2.gz PZJTVIXEFJBFKZ-IBGZPJMESA-N 2 0 319.468 2.734 20 0 DFADRP Cc1ccc(C[NH+](C)C)cc1NC(=O)[C@@H]1C[C@@H]2CCCC[N@@H+]2C1 ZINC000371879691 150108246 /nfs/dbraw/zinc/10/82/46/150108246.db2.gz JYQFKQQGLIZVAK-SJORKVTESA-N 2 0 315.461 2.870 20 0 DFADRP C[C@@H]1C[C@H](NC[C@@H]2CCC[NH+]2CCc2ccccc2)CC[N@@H+]1C ZINC000372060087 150130443 /nfs/dbraw/zinc/13/04/43/150130443.db2.gz OUIVEBJLMIKVFL-RLLQIKCJSA-N 2 0 315.505 2.766 20 0 DFADRP Cc1cc[nH+]c(NC[C@H]2CC[N@H+](Cc3ccc(F)nc3)C2)c1 ZINC000372423317 150170751 /nfs/dbraw/zinc/17/07/51/150170751.db2.gz XAFDJROUBLKYRB-OAHLLOKOSA-N 2 0 300.381 2.858 20 0 DFADRP CCCC[N@H+](C)CC1CC[NH+](CCc2cnn(CC)c2)CC1 ZINC000351608131 286167633 /nfs/dbraw/zinc/16/76/33/286167633.db2.gz LWYZDGVRWZVJFK-UHFFFAOYSA-N 2 0 306.498 2.889 20 0 DFADRP C[N@H+]1Cc2ccccc2[C@@H](Nc2cc(N3CCCC3)ncn2)C1 ZINC000372982547 150211364 /nfs/dbraw/zinc/21/13/64/150211364.db2.gz PLAKPLLCLMVHGV-INIZCTEOSA-N 2 0 309.417 2.675 20 0 DFADRP C[NH+](C)[C@H]1CCCN(CC(=O)NC2CCCCCCC2)CC1 ZINC000372992853 150213118 /nfs/dbraw/zinc/21/31/18/150213118.db2.gz ZUSVJDULUFRENZ-KRWDZBQOSA-N 2 0 309.498 2.632 20 0 DFADRP Cc1ccc(C[N@H+]2CCC[C@@H](CN3CC[NH+](C)CC3)C2)cc1C ZINC000373001932 150214939 /nfs/dbraw/zinc/21/49/39/150214939.db2.gz YXKCZLPZXPSWHY-FQEVSTJZSA-N 2 0 315.505 2.763 20 0 DFADRP Cn1ccnc1[C@H]1CCC[N@H+](Cc2cnn(C(C)(C)C)c2)C1 ZINC000373228543 150251304 /nfs/dbraw/zinc/25/13/04/150251304.db2.gz MIHGAODYWNDYEO-HNNXBMFYSA-N 2 0 301.438 2.751 20 0 DFADRP COc1cccc(CN2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@H]32)c1F ZINC000373858532 150268347 /nfs/dbraw/zinc/26/83/47/150268347.db2.gz HKTGCOMDMHYEOS-ZMSDIMECSA-N 2 0 322.424 2.518 20 0 DFADRP C(N[C@H]1CC[N@@H+]2CCC[C@H]2C1)[C@H]1CCC[NH+]1C1CCCCC1 ZINC000373904154 150276532 /nfs/dbraw/zinc/27/65/32/150276532.db2.gz NNGQFUGPOITXJC-YTQUADARSA-N 2 0 305.510 3.000 20 0 DFADRP C[N@@H+]1CCCC[C@H]1CCN1CC[NH+](CCc2cccs2)CC1 ZINC000351618377 286171264 /nfs/dbraw/zinc/17/12/64/286171264.db2.gz IVBSJNIEFIUUKT-KRWDZBQOSA-N 2 0 321.534 2.783 20 0 DFADRP CN1CCC([NH+]2CCC(CC[N@H+](C)Cc3cc[nH]c3)CC2)CC1 ZINC000374282165 150335445 /nfs/dbraw/zinc/33/54/45/150335445.db2.gz CRBRAUGJYOJEMN-UHFFFAOYSA-N 2 0 318.509 2.643 20 0 DFADRP CC(C)OC(=O)CC[NH+]1CCC2(C[C@@H]2C[N@H+](C)C2CC2)CC1 ZINC000374298360 150340080 /nfs/dbraw/zinc/34/00/80/150340080.db2.gz WCNNNDHYBTYSJX-OAHLLOKOSA-N 2 0 308.466 2.524 20 0 DFADRP CC(C)[C@H](C)NC(=O)C1CC[NH+](CC[C@H]2CCCC[N@@H+]2C)CC1 ZINC000351641080 286178830 /nfs/dbraw/zinc/17/88/30/286178830.db2.gz YPCSEVJEQPYZMX-FUHWJXTLSA-N 2 0 323.525 2.734 20 0 DFADRP CCN(CCC[NH+](CC)CC)C(=O)[C@@H](C)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000351803680 286222445 /nfs/dbraw/zinc/22/24/45/286222445.db2.gz GAOAWUILJCBCOA-IXDOHACOSA-N 2 0 311.514 2.828 20 0 DFADRP CC[NH+](CC)CCC[C@H](C)NC(=O)CC[C@@H]1CCCC[N@@H+]1C ZINC000351886386 286237418 /nfs/dbraw/zinc/23/74/18/286237418.db2.gz JMTNQCWCLDRHRE-IRXDYDNUSA-N 2 0 311.514 2.878 20 0 DFADRP CC[NH+](CC)CCC[N@@H+]1CCCN2c3ccccc3C[C@H]2C1 ZINC000352018791 286271301 /nfs/dbraw/zinc/27/13/01/286271301.db2.gz SGHTZDCUESVEFD-SFHVURJKSA-N 2 0 301.478 2.855 20 0 DFADRP Cn1nccc1-c1ccccc1C[NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000352114298 286295753 /nfs/dbraw/zinc/29/57/53/286295753.db2.gz WKZQFGGJVAYDEW-HNNXBMFYSA-N 2 0 310.445 2.661 20 0 DFADRP CCC[C@H]([NH2+]C(C)C)C(=O)NCCCC[N@@H+]1CCCC[C@H]1C ZINC000352155183 286307077 /nfs/dbraw/zinc/30/70/77/286307077.db2.gz CTOOJBAQAHXNJE-SJORKVTESA-N 2 0 311.514 2.924 20 0 DFADRP CCC[C@H]([NH2+]C(C)C)C(=O)NCCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000352156325 286307188 /nfs/dbraw/zinc/30/71/88/286307188.db2.gz IYQNENCSXFIAQP-ULQDDVLXSA-N 2 0 311.514 2.637 20 0 DFADRP CCC[C@@H]([NH2+]C(C)C)C(=O)NC[C@@H](c1cccs1)[NH+](C)C ZINC000352143411 286303488 /nfs/dbraw/zinc/30/34/88/286303488.db2.gz ZECBHOCENBHYNQ-KGLIPLIRSA-N 2 0 311.495 2.634 20 0 DFADRP CCC[C@@H]([NH2+]C(C)C)C(=O)NC[C@H](c1ccc(F)cc1)[NH+](C)C ZINC000352157080 286307748 /nfs/dbraw/zinc/30/77/48/286307748.db2.gz RIJMRMFEAUQHTP-IAGOWNOFSA-N 2 0 323.456 2.711 20 0 DFADRP CCC[C@H]([NH2+]C(C)C)C(=O)NC[C@@]1([NH+](C)C)CCC[C@H](C)C1 ZINC000352219705 286320992 /nfs/dbraw/zinc/32/09/92/286320992.db2.gz RPFXLVBYIUEHEI-XYJFISCASA-N 2 0 311.514 2.780 20 0 DFADRP [NH3+]CC[C@H]1CCCC[N@@H+]1Cc1ccc(OC[C@@H]2CCCO2)cc1 ZINC000352495173 286388102 /nfs/dbraw/zinc/38/81/02/286388102.db2.gz JERZOFYDIZGIHN-MJGOQNOKSA-N 2 0 318.461 2.948 20 0 DFADRP CCO[C@@H]1C[C@H]([NH2+]CCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)C12CCC2 ZINC000181616533 286385466 /nfs/dbraw/zinc/38/54/66/286385466.db2.gz BDUDBXYGHWVGAU-XWTMOSNGSA-N 2 0 324.509 2.813 20 0 DFADRP CC[C@@H]1CCCCN1C(=O)C[N@H+](CCC[NH3+])CC1CCCC1 ZINC000352519217 286395974 /nfs/dbraw/zinc/39/59/74/286395974.db2.gz MUQLHZAYSGXLPT-QGZVFWFLSA-N 2 0 309.498 2.619 20 0 DFADRP Cc1nc2ccccn2c1C[N@H+](CCC[NH3+])CC1CCCC1 ZINC000352526773 286398343 /nfs/dbraw/zinc/39/83/43/286398343.db2.gz ROEJEWMYNGBQDZ-UHFFFAOYSA-N 2 0 300.450 2.984 20 0 DFADRP C[NH+](C)C1(CNC(=O)[C@@H](C2CC2)[NH+]2CCCC2)CCCCCC1 ZINC000352737363 286454723 /nfs/dbraw/zinc/45/47/23/286454723.db2.gz UJTXDKXNNLZEDE-QGZVFWFLSA-N 2 0 321.509 2.632 20 0 DFADRP C[C@@H](C[NH2+]C1CCC2(CCCC2)CC1)CN1CC[NH+](C)CC1 ZINC000352831859 286479415 /nfs/dbraw/zinc/47/94/15/286479415.db2.gz CZBYOYUKSNHBKH-KRWDZBQOSA-N 2 0 307.526 2.963 20 0 DFADRP CC[NH+]1CCN(CCC[NH2+]Cc2ccc(SC)s2)CC1 ZINC000352842335 286482194 /nfs/dbraw/zinc/48/21/94/286482194.db2.gz VXVTXVLBTMMLQP-UHFFFAOYSA-N 2 0 313.536 2.587 20 0 DFADRP CCO[C@H]1C[C@@H]([NH2+]C2CC[NH+](CC(C)C)CC2)C12CCOCC2 ZINC000186233368 286488619 /nfs/dbraw/zinc/48/86/19/286488619.db2.gz PWEGHSWCIKMBMV-MSOLQXFVSA-N 2 0 324.509 2.671 20 0 DFADRP COc1cccc(OC)c1C[NH2+]CC1(SC)CC[NH+](C)CC1 ZINC000353196941 286576942 /nfs/dbraw/zinc/57/69/42/286576942.db2.gz VMVRJGUTRYVFQA-UHFFFAOYSA-N 2 0 324.490 2.621 20 0 DFADRP COc1cc(C[NH2+]CC2(SC)CC[NH+](C)CC2)cc(OC)c1 ZINC000353224180 286583550 /nfs/dbraw/zinc/58/35/50/286583550.db2.gz JVPHQQBVCKHCAX-UHFFFAOYSA-N 2 0 324.490 2.621 20 0 DFADRP C[C@@H]([NH2+]C1CCC([NH+](C)C)CC1)c1ccc(-n2cncn2)cc1 ZINC000353389266 286632651 /nfs/dbraw/zinc/63/26/51/286632651.db2.gz URDWJKUDSMPEQT-ODIFPOPNSA-N 2 0 313.449 2.791 20 0 DFADRP CC[NH+]1CCN([C@H]2CC[N@@H+]([C@H](C)c3ccccc3F)C2)CC1 ZINC000245950346 158082284 /nfs/dbraw/zinc/08/22/84/158082284.db2.gz YQEPQWDLGJFESP-CVEARBPZSA-N 2 0 305.441 2.599 20 0 DFADRP C[C@H]([NH2+]CCCC[N@@H+]1CCC[C@H]1CO)c1ccccc1N(C)C ZINC000246427447 158091484 /nfs/dbraw/zinc/09/14/84/158091484.db2.gz MUNJWBAFYNROGS-IRXDYDNUSA-N 2 0 319.493 2.640 20 0 DFADRP O=C(CN1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1)Nc1ccccc1 ZINC000246831432 158102429 /nfs/dbraw/zinc/10/24/29/158102429.db2.gz ODGOYUTXUHUYAH-YJBOKZPZSA-N 2 0 313.445 2.574 20 0 DFADRP CCC[N@H+](CC)CCN[C@@H]1CC[NH+](Cc2ccccn2)C[C@H]1C ZINC000246917030 158105612 /nfs/dbraw/zinc/10/56/12/158105612.db2.gz FXZZJWYPZKKAJI-IEBWSBKVSA-N 2 0 318.509 2.614 20 0 DFADRP CCC[N@@H+]1CC[C@H](C[NH2+][C@H](C)c2ccc([S@](C)=O)cc2)C1 ZINC000246947304 158106457 /nfs/dbraw/zinc/10/64/57/158106457.db2.gz HXBYOIBAEXOJHZ-PZPWOCDFSA-N 2 0 308.491 2.807 20 0 DFADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@H](C)Oc2ccc(OC)cc2)[C@@H](C)C1 ZINC000246939790 158107017 /nfs/dbraw/zinc/10/70/17/158107017.db2.gz GUVLYRJWRXDJIL-MPGHIAIKSA-N 2 0 306.450 2.782 20 0 DFADRP CC(=O)Nc1ccc(CC[NH2+][C@@H]2C[C@H](C)[N@@H+](C)C[C@@H]2C)cc1 ZINC000246966933 158109762 /nfs/dbraw/zinc/10/97/62/158109762.db2.gz JCWOKPLSMXLYPS-SUNYJGFJSA-N 2 0 303.450 2.506 20 0 DFADRP Cc1ccc([C@H](CN[C@@H]2C[C@@H](C)[N@@H+](C)C[C@@H]2C)[NH+](C)C)cc1 ZINC000247172382 158120923 /nfs/dbraw/zinc/12/09/23/158120923.db2.gz YRAGCCDGMCXHQU-ISARSNTHSA-N 2 0 303.494 2.916 20 0 DFADRP CCC[N@@H+]1CC[C@@H](C[NH2+][C@H](C)c2ccc3c(c2)OCCO3)C1 ZINC000247225198 158123523 /nfs/dbraw/zinc/12/35/23/158123523.db2.gz XYJUZHAIFYSHKT-CABCVRRESA-N 2 0 304.434 2.840 20 0 DFADRP CC[N@@H+]1CC[C@H]([NH2+]CCN(C)Cc2ccc(F)cc2)[C@@H](C)C1 ZINC000247253675 158124598 /nfs/dbraw/zinc/12/45/98/158124598.db2.gz YMSTYUPICRGILS-YJBOKZPZSA-N 2 0 307.457 2.577 20 0 DFADRP C[N@@H+]1CCC[C@H]2CN(CC(=O)Nc3ccc(Cl)cc3)CC[C@H]21 ZINC000248186213 158165083 /nfs/dbraw/zinc/16/50/83/158165083.db2.gz XJXIOUAMCOOWSS-XJKSGUPXSA-N 2 0 321.852 2.695 20 0 DFADRP CC(=O)Nc1cccc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)c1 ZINC000248215884 158166248 /nfs/dbraw/zinc/16/62/48/158166248.db2.gz ZQUMUMLHOSNDEM-FUHWJXTLSA-N 2 0 301.434 2.561 20 0 DFADRP C[C@H](CCn1cccn1)[NH2+][C@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000248401656 158171724 /nfs/dbraw/zinc/17/17/24/158171724.db2.gz MELWRVODBQREHZ-ZACQAIPSSA-N 2 0 304.482 2.904 20 0 DFADRP C[NH+](C)CCCN[C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000248404524 158172043 /nfs/dbraw/zinc/17/20/43/158172043.db2.gz QHIWHKFTZVHMAI-XUVXKRRUSA-N 2 0 315.505 2.828 20 0 DFADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@H](C)[C@H]1CCC[NH+](C2CCC2)C1 ZINC000248409901 158173489 /nfs/dbraw/zinc/17/34/89/158173489.db2.gz XGZBCLCFBUMGGL-SOLBZPMBSA-N 2 0 321.509 2.630 20 0 DFADRP OCC1(C[NH2+][C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)CCC1 ZINC000248446493 158177483 /nfs/dbraw/zinc/17/74/83/158177483.db2.gz COZZQGNWKIMAEB-GBESFXJTSA-N 2 0 314.473 2.649 20 0 DFADRP C/C=C/C[C@H](CO)[NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]12 ZINC000248652813 158194153 /nfs/dbraw/zinc/19/41/53/158194153.db2.gz YKPORBWMBCVVTD-YEOLBDKBSA-N 2 0 314.473 2.814 20 0 DFADRP CC(C)C[N@@H+]1CCCC[C@H]1CNC(=O)CC[C@@H]1CCCC[NH+]1C ZINC000355101946 158274903 /nfs/dbraw/zinc/27/49/03/158274903.db2.gz IJTSPRIWGRHPLT-ROUUACIJSA-N 2 0 323.525 2.878 20 0 DFADRP CCOC(=O)C1(C)CCC([NH2+]CC2CC[NH+](C3CC3)CC2)CC1 ZINC000355140746 158283073 /nfs/dbraw/zinc/28/30/73/158283073.db2.gz YWWXYPZHCIZSAF-UHFFFAOYSA-N 2 0 322.493 2.962 20 0 DFADRP CC(C)C[N@@H+]1CCC[C@H](CNC(=O)CC[C@@H]2CCCC[NH+]2C)C1 ZINC000355152306 158286654 /nfs/dbraw/zinc/28/66/54/158286654.db2.gz RLZQDLKDTASJCJ-MSOLQXFVSA-N 2 0 323.525 2.735 20 0 DFADRP COC(=O)C(C)(C)CC[NH2+]C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000355157520 158287030 /nfs/dbraw/zinc/28/70/30/158287030.db2.gz FNTXANQANAMKMG-KRWDZBQOSA-N 2 0 318.461 2.687 20 0 DFADRP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@@H+]2Cc1cccc2cc[nH]c21 ZINC000355209128 158298563 /nfs/dbraw/zinc/29/85/63/158298563.db2.gz QYXDZCZIMVFRNJ-KZNAEPCWSA-N 2 0 313.445 2.851 20 0 DFADRP COc1cc(C)c(C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)cc1OC ZINC000355212701 158300209 /nfs/dbraw/zinc/30/02/09/158300209.db2.gz PBOWNSDKSYBVBV-RDJZCZTQSA-N 2 0 318.461 2.928 20 0 DFADRP CCC[N@H+](C)CC(=O)NC[C@@H](c1ccc(C)cc1)[NH+]1CCCC1 ZINC000358590919 158392223 /nfs/dbraw/zinc/39/22/23/158392223.db2.gz MPDYHYMVCFXIBV-SFHVURJKSA-N 2 0 317.477 2.590 20 0 DFADRP C[C@@H]1C[C@H](c2nc(-c3ccc(C[NH+](C)C)cc3)no2)CC[N@@H+]1C ZINC000362310424 158517347 /nfs/dbraw/zinc/51/73/47/158517347.db2.gz YTSLBONEVKZABJ-CZUORRHYSA-N 2 0 314.433 2.996 20 0 DFADRP CC[C@H](F)C[NH+]1CCC(CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000440777284 297164574 /nfs/dbraw/zinc/16/45/74/297164574.db2.gz UHVKKNKWCTUAQN-UXLLHSPISA-N 2 0 300.462 2.946 20 0 DFADRP CC[NH2+]CC1CC[NH+]([C@H](C)C(=O)N(CC)c2ccccc2)CC1 ZINC000430564534 296795163 /nfs/dbraw/zinc/79/51/63/296795163.db2.gz LSTYNQXJUNSSQQ-MRXNPFEDSA-N 2 0 317.477 2.750 20 0 DFADRP CC[C@H](NC(=O)C[NH+]1CCC(C[NH3+])CC1)c1ccc(Cl)cc1 ZINC000430606757 296800135 /nfs/dbraw/zinc/80/01/35/296800135.db2.gz WIRHYIMCXYQIQT-INIZCTEOSA-N 2 0 323.868 2.578 20 0 DFADRP [NH3+][C@@H]1CCCCCC[C@@H]1C(=O)N1CCC([NH+]2CCCCC2)CC1 ZINC000430768266 296807729 /nfs/dbraw/zinc/80/77/29/296807729.db2.gz YKOLDGDQPCBSQG-ZWKOTPCHSA-N 2 0 321.509 2.761 20 0 DFADRP [NH3+][C@H]1CCCCCC[C@H]1C(=O)N1CCC(C[NH+]2CCCC2)CC1 ZINC000430764291 296807917 /nfs/dbraw/zinc/80/79/17/296807917.db2.gz PIBACYKCWSAUTP-MSOLQXFVSA-N 2 0 321.509 2.619 20 0 DFADRP C[C@H](C(=O)Nc1ccc(Cl)cc1)[NH+]1CCC([C@H](C)[NH3+])CC1 ZINC000430938359 296813523 /nfs/dbraw/zinc/81/35/23/296813523.db2.gz BMGOPVYFOQGCNK-NWDGAFQWSA-N 2 0 309.841 2.726 20 0 DFADRP C[NH2+]CC1CC[NH+]([C@@H](C)C(=O)Nc2cccc(Cl)c2)CC1 ZINC000430965928 296816064 /nfs/dbraw/zinc/81/60/64/296816064.db2.gz LYNCWWCOWONZMT-LBPRGKRZSA-N 2 0 309.841 2.598 20 0 DFADRP c1csc(-c2cnc(C[NH+]3CCC4(CC[NH2+]C4)CC3)o2)c1 ZINC000431034060 296818728 /nfs/dbraw/zinc/81/87/28/296818728.db2.gz SVYDMPRKDNZVCI-UHFFFAOYSA-N 2 0 303.431 2.979 20 0 DFADRP C[C@@H]([NH2+][C@H]1CCOC[C@H]1C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000278818659 287070119 /nfs/dbraw/zinc/07/01/19/287070119.db2.gz ZYVWLVUCQMXLJJ-FPAYPSAMSA-N 2 0 302.462 2.912 20 0 DFADRP C[C@@H](O)C[N@H+](CC1CC[NH2+]CC1)[C@@H](C)Cc1ccc(Cl)cc1 ZINC000261871746 287083591 /nfs/dbraw/zinc/08/35/91/287083591.db2.gz VIRLDDKQLVEXHC-LSDHHAIUSA-N 2 0 324.896 2.953 20 0 DFADRP C[C@@H](O)[C@](C)(C[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1)Cc1ccccc1 ZINC000188921816 287115862 /nfs/dbraw/zinc/11/58/62/287115862.db2.gz IYRIMFFUHZMMKF-AFYVEPGGSA-N 2 0 316.489 2.833 20 0 DFADRP CCOC(=O)[C@@H](CC)N1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000441538357 297185651 /nfs/dbraw/zinc/18/56/51/297185651.db2.gz ZJSQXZFSTVECMU-IAGOWNOFSA-N 2 0 310.482 2.772 20 0 DFADRP CC[NH+](CC)Cc1ccc(CNC(=O)[C@@]2(CC)CCC[NH2+]2)cc1 ZINC000128995122 196010933 /nfs/dbraw/zinc/01/09/33/196010933.db2.gz XCMQTEBNIXFRRH-LJQANCHMSA-N 2 0 317.477 2.677 20 0 DFADRP CC[NH+](CC)CC(=O)NC[C@@H](c1ccc(C)cc1)[NH+]1CCCC1 ZINC000129244279 196032301 /nfs/dbraw/zinc/03/23/01/196032301.db2.gz TWRVJISSUAJLKR-SFHVURJKSA-N 2 0 317.477 2.590 20 0 DFADRP C[C@H](Cc1ccc(Br)cc1)[NH2+]C[C@H]1CCC[NH2+]C1 ZINC000132094419 196225949 /nfs/dbraw/zinc/22/59/49/196225949.db2.gz CFQPNFVOIAFCOI-OCCSQVGLSA-N 2 0 311.267 2.969 20 0 DFADRP C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)[C@@H]1C[C@H]2CCCC[NH+]2C1 ZINC000363585681 287266507 /nfs/dbraw/zinc/26/65/07/287266507.db2.gz CQMXIHWODMWKFM-KZNAEPCWSA-N 2 0 321.509 2.632 20 0 DFADRP CC(C)[C@@H](C[NH2+][C@@H](C)c1cccc(F)c1)N1CC[NH+](C)CC1 ZINC000132342031 196247635 /nfs/dbraw/zinc/24/76/35/196247635.db2.gz NGJBSTCOZRVQPP-MAUKXSAKSA-N 2 0 307.457 2.748 20 0 DFADRP CC(C)[C@@H](C[NH2+][C@@H]1CCCc2ccccc21)N1CC[NH+](C)CC1 ZINC000132346531 196248321 /nfs/dbraw/zinc/24/83/21/196248321.db2.gz VLWICMHZODOEDK-WOJBJXKFSA-N 2 0 315.505 2.926 20 0 DFADRP CC(C)[C@@H](C[NH2+][C@H]1CCCc2ccccc21)N1CC[NH+](C)CC1 ZINC000132346922 196248502 /nfs/dbraw/zinc/24/85/02/196248502.db2.gz VLWICMHZODOEDK-VQTJNVASSA-N 2 0 315.505 2.926 20 0 DFADRP CC(C)[C@@H](C[NH2+][C@H](C)c1ccc(F)cc1)N1CC[NH+](C)CC1 ZINC000132325871 196246178 /nfs/dbraw/zinc/24/61/78/196246178.db2.gz XVVUEYCMWSLPIT-CRAIPNDOSA-N 2 0 307.457 2.748 20 0 DFADRP CCOCCC[NH2+]Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000132672839 196274805 /nfs/dbraw/zinc/27/48/05/196274805.db2.gz SJLOXALEYACOCU-UHFFFAOYSA-N 2 0 319.493 2.733 20 0 DFADRP CCN1CCC[C@H]([NH2+][C@@H](C)c2cccc(OCC[NH+](C)C)c2)C1 ZINC000133016425 196304978 /nfs/dbraw/zinc/30/49/78/196304978.db2.gz UXOCBZLTVJUFIE-WMZOPIPTSA-N 2 0 319.493 2.762 20 0 DFADRP C[C@@H]([NH2+]C1CCN(CC[NH+](C)C)CC1)c1ccc(F)cc1F ZINC000150960779 196609050 /nfs/dbraw/zinc/60/90/50/196609050.db2.gz XRRKMGHKRZKWJW-CYBMUJFWSA-N 2 0 311.420 2.641 20 0 DFADRP Cc1ncc(CN2CCC[C@@H](c3noc(C(C)C)n3)C2)n1C ZINC000667571842 543633976 /nfs/dbraw/zinc/63/39/76/543633976.db2.gz DTQBQBGPFAWWGD-CYBMUJFWSA-N 2 0 303.410 2.615 20 0 DFADRP Cn1ncc(C2CC2)c1C[N@@H+]1CC[C@H](CNc2ccccn2)C1 ZINC000667576913 543634936 /nfs/dbraw/zinc/63/49/36/543634936.db2.gz YYCOHPBWSOJLEZ-CQSZACIVSA-N 2 0 311.433 2.627 20 0 DFADRP c1cc(C[NH+]2CCc3ccccc3CC2)n(-c2cc[nH+]cc2)n1 ZINC000667632948 543645976 /nfs/dbraw/zinc/64/59/76/543645976.db2.gz LYWAUGZFFSNSML-UHFFFAOYSA-N 2 0 304.397 2.868 20 0 DFADRP c1ccc(CC[N@@H+]2CC[C@H](C[NH2+][C@H]3CO[C@@H](C4CC4)C3)C2)cc1 ZINC000667835057 543688915 /nfs/dbraw/zinc/68/89/15/543688915.db2.gz HKRMOLYWKIMIKW-MISYRCLQSA-N 2 0 314.473 2.708 20 0 DFADRP CC[N@@H+]1CC[C@H](N(C)Cc2c(C3CCC3)cnn2C)[C@@H](C)C1 ZINC000667666246 543655704 /nfs/dbraw/zinc/65/57/04/543655704.db2.gz GWWCTGABSYJPTK-YOEHRIQHSA-N 2 0 304.482 2.850 20 0 DFADRP CN(CC[C@@H]1CCCC[N@@H+]1C)Cc1ccnn1-c1cc[nH+]cc1 ZINC000667668467 543656024 /nfs/dbraw/zinc/65/60/24/543656024.db2.gz OGDZXXVOKAYNGU-INIZCTEOSA-N 2 0 313.449 2.574 20 0 DFADRP Cn1ncc(C2CC2)c1C[NH+]1CCC(CCC[NH+](C)C)CC1 ZINC000667671957 543656814 /nfs/dbraw/zinc/65/68/14/543656814.db2.gz GAHREPYUYAMHQM-UHFFFAOYSA-N 2 0 304.482 2.851 20 0 DFADRP CC(C)C[N@@H+]1CCC[C@H](CNC(=O)Nc2cccc(C[NH3+])c2)C1 ZINC000667724023 543667421 /nfs/dbraw/zinc/66/74/21/543667421.db2.gz SHCIUOKGKTWGKH-MRXNPFEDSA-N 2 0 318.465 2.635 20 0 DFADRP CCCN(CC[NH+]1CCCCC1)C(=O)Nc1cccc(C[NH3+])c1 ZINC000667733966 543669852 /nfs/dbraw/zinc/66/98/52/543669852.db2.gz OQHKSKYCWGLFAK-UHFFFAOYSA-N 2 0 318.465 2.875 20 0 DFADRP CC[NH2+]Cc1cccc(NC(=O)N2CCC[C@@H]([NH2+]C(C)C)C2)c1 ZINC000667768038 543675589 /nfs/dbraw/zinc/67/55/89/543675589.db2.gz CQWGMRMJAQZRKZ-QGZVFWFLSA-N 2 0 318.465 2.790 20 0 DFADRP c1cc(C[NH+]2CCCC2)ccc1C[NH2+][C@@H]1CO[C@@H](C2CC2)C1 ZINC000667769850 543675886 /nfs/dbraw/zinc/67/58/86/543675886.db2.gz HVJUQXGWOXIKGY-RBUKOAKNSA-N 2 0 300.446 2.940 20 0 DFADRP c1cc(C[NH+]2CCCC2)ccc1C[NH2+][C@H]1CO[C@H](C2CC2)C1 ZINC000667769848 543675894 /nfs/dbraw/zinc/67/58/94/543675894.db2.gz HVJUQXGWOXIKGY-MOPGFXCFSA-N 2 0 300.446 2.940 20 0 DFADRP c1cc(C[NH+]2CCC3(CCOCC3)CC2)n(-c2cc[nH+]cc2)n1 ZINC000668115025 543743831 /nfs/dbraw/zinc/74/38/31/543743831.db2.gz NFMBHTZTZQDQCX-UHFFFAOYSA-N 2 0 312.417 2.660 20 0 DFADRP FC1(F)CC12CC[NH+](Cc1ccnn1-c1cc[nH+]cc1)CC2 ZINC000668285810 543785047 /nfs/dbraw/zinc/78/50/47/543785047.db2.gz QWOLUVNPJIASSG-UHFFFAOYSA-N 2 0 304.344 2.889 20 0 DFADRP CC[N@@H+]1C[C@@H](C)N(C(=O)Nc2ccn3cc(C)nc3c2)C[C@H]1C ZINC000668158629 543753875 /nfs/dbraw/zinc/75/38/75/543753875.db2.gz ZBOVVWKOEQOOCX-ZIAGYGMSSA-N 2 0 315.421 2.589 20 0 DFADRP CCC[N@H+](CC)C[C@@H](C)NC(=O)Nc1ccn2cc(C)nc2c1 ZINC000668164654 543755491 /nfs/dbraw/zinc/75/54/91/543755491.db2.gz ALLMPUNBOVWMJL-CYBMUJFWSA-N 2 0 317.437 2.885 20 0 DFADRP CCC[N@H+](CCC[NH+](C)C)C[C@@H]1CCCO[C@H]1c1nccn1C ZINC000668167983 543756759 /nfs/dbraw/zinc/75/67/59/543756759.db2.gz JTTBBTKMROZIPQ-DLBZAZTESA-N 2 0 322.497 2.552 20 0 DFADRP Cc1ncc(CN(CCc2ccccn2)Cc2ccncc2)n1C ZINC000668170208 543757470 /nfs/dbraw/zinc/75/74/70/543757470.db2.gz HMKIKSVIEQRXPV-UHFFFAOYSA-N 2 0 321.428 2.763 20 0 DFADRP CCCn1ccnc1CCC[N@H+](C)Cc1ccnn1CC1CC1 ZINC000668169056 543757862 /nfs/dbraw/zinc/75/78/62/543757862.db2.gz HTQAAIVTIKSRRQ-UHFFFAOYSA-N 2 0 315.465 2.964 20 0 DFADRP COC[C@H](C)Oc1ccc(C[N@H+](C)[C@@H]2CCN(C)C[C@@H]2C)cc1 ZINC000668172109 543758577 /nfs/dbraw/zinc/75/85/77/543758577.db2.gz DNLKCTSHRZAKFI-TXPKVOOTSA-N 2 0 320.477 2.872 20 0 DFADRP C[C@@H]1CSC[C@@H]1[NH2+]CC1CC[NH+](Cc2ccncc2)CC1 ZINC000668512826 543816622 /nfs/dbraw/zinc/81/66/22/543816622.db2.gz QHXYQVAKZFYNAR-PBHICJAKSA-N 2 0 305.491 2.635 20 0 DFADRP C[C@H](CCc1cccc(F)c1)[NH+]1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000668740858 543859328 /nfs/dbraw/zinc/85/93/28/543859328.db2.gz XVUUQNWZQBTCSF-DNVCBOLYSA-N 2 0 320.452 2.678 20 0 DFADRP C[NH+](C)CCC[C@H]1C[N@H+](Cc2cccc3cc[nH]c32)CCO1 ZINC000668785740 543867401 /nfs/dbraw/zinc/86/74/01/543867401.db2.gz WIVZDQXXNUKFDO-KRWDZBQOSA-N 2 0 301.434 2.711 20 0 DFADRP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(OC3CC[NH+](C)CC3)cc2)[C@H](C)O1 ZINC000296736604 226178962 /nfs/dbraw/zinc/17/89/62/226178962.db2.gz JTRUAEJKHZNXTF-ZRGWGRIASA-N 2 0 318.461 2.815 20 0 DFADRP C[C@@H]([NH2+]CC(C)(C)N1CC[NH+](C)CC1)[C@@H]1C[C@H]1c1ccccc1 ZINC000670153790 544025242 /nfs/dbraw/zinc/02/52/42/544025242.db2.gz MUSFXMQDVGIAKZ-NEWSRXKRSA-N 2 0 315.505 2.794 20 0 DFADRP C[C@@H](C[NH2+]Cc1ccc(C(=O)NCC[NH+](C)C)cc1)C(C)(C)C ZINC000670268467 544031396 /nfs/dbraw/zinc/03/13/96/544031396.db2.gz ISSLYBSTGDNJIY-HNNXBMFYSA-N 2 0 319.493 2.750 20 0 DFADRP CCN1CC[NH+](CCCC[NH2+]C2CCC(C(F)F)CC2)CC1 ZINC000442713482 297202526 /nfs/dbraw/zinc/20/25/26/297202526.db2.gz IFSHHBUWIMCWOX-UHFFFAOYSA-N 2 0 317.468 2.818 20 0 DFADRP CC[C@@H]1C[N@@H+]2CCCC[C@@H]2CN1C(=O)CC[C@@H]1CCCC[NH+]1C ZINC000672987678 544163484 /nfs/dbraw/zinc/16/34/84/544163484.db2.gz GZUIGWWYIRJQPV-FGTMMUONSA-N 2 0 321.509 2.726 20 0 DFADRP CC[NH+](CC)Cc1ccc(C(=O)NC[C@@H]2CC[C@H](C)[N@@H+]2C)cc1 ZINC000673433202 544179740 /nfs/dbraw/zinc/17/97/40/544179740.db2.gz MMYLTMFXKFBDHK-YJBOKZPZSA-N 2 0 317.477 2.741 20 0 DFADRP CC[C@H](O)C[N@@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000291415432 222374964 /nfs/dbraw/zinc/37/49/64/222374964.db2.gz HCBOPLOSEAVGCB-SFHVURJKSA-N 2 0 302.462 2.745 20 0 DFADRP C[C@H](C[NH2+]Cc1ccc(OCC[NH+](C)C)cc1)c1ccncc1 ZINC000674070066 544217409 /nfs/dbraw/zinc/21/74/09/544217409.db2.gz LXUYKNTYRPYZJN-MRXNPFEDSA-N 2 0 313.445 2.915 20 0 DFADRP Cc1cccc2c1OC[C@@H]([NH2+]C1CCN(c3cc[nH+]cc3)CC1)C2 ZINC000297444332 227173802 /nfs/dbraw/zinc/17/38/02/227173802.db2.gz OOALEQUXYBGIHN-SFHVURJKSA-N 2 0 323.440 2.952 20 0 DFADRP CCC[NH+]1CCC([NH2+]C[C@@H](C)N2CCc3ccccc32)CC1 ZINC000675776671 544335770 /nfs/dbraw/zinc/33/57/70/544335770.db2.gz VMTMKFCPFRWKNX-MRXNPFEDSA-N 2 0 301.478 2.902 20 0 DFADRP Cc1cc(N2CC[NH+](C(C)(C)CO)CC2)c2cc(F)ccc2[nH+]1 ZINC000675792916 544336856 /nfs/dbraw/zinc/33/68/56/544336856.db2.gz WGGSYQUSSZXULP-UHFFFAOYSA-N 2 0 317.408 2.575 20 0 DFADRP CC[N@@H+]1CC[C@@H]([NH2+]CCCOc2ccccc2OC)[C@@H](C)C1 ZINC000675813758 544338492 /nfs/dbraw/zinc/33/84/92/544338492.db2.gz LCNSCCMHGNONDI-JKSUJKDBSA-N 2 0 306.450 2.784 20 0 DFADRP CC(C)[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000675875083 544341216 /nfs/dbraw/zinc/34/12/16/544341216.db2.gz RGBXPLIWDMCSBQ-NEWSRXKRSA-N 2 0 307.526 2.959 20 0 DFADRP Cc1cc(C[NH2+][C@@H](C)c2cccc(OCC[NH+](C)C)c2)[nH]n1 ZINC000675891840 544342276 /nfs/dbraw/zinc/34/22/76/544342276.db2.gz BTVOYLLLEDZHSB-AWEZNQCLSA-N 2 0 302.422 2.509 20 0 DFADRP CCC[NH+]1CCC(NCC2([NH+](C)C)Cc3ccccc3C2)CC1 ZINC000675901664 544343103 /nfs/dbraw/zinc/34/31/03/544343103.db2.gz QFULBRIXMVAQLU-UHFFFAOYSA-N 2 0 315.505 2.550 20 0 DFADRP C[C@@H]1CC[N@H+](C[C@@H](O)CN(C)Cc2ccccc2)C[C@@H](C)C1 ZINC000676904985 544413696 /nfs/dbraw/zinc/41/36/96/544413696.db2.gz OKWJHKMNHNHXFK-AOIWGVFYSA-N 2 0 304.478 2.847 20 0 DFADRP C[NH+](C)CCOc1ccc(C[NH2+][C@@H]2CCOC(C)(C)C2)cc1 ZINC000677154059 544442917 /nfs/dbraw/zinc/44/29/17/544442917.db2.gz ZCOZZEPHQBEEGL-MRXNPFEDSA-N 2 0 306.450 2.674 20 0 DFADRP CCC(CC)[C@@H](C)C(=O)N(C)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000677766810 544538942 /nfs/dbraw/zinc/53/89/42/544538942.db2.gz PEPZIDDEMIKNKO-QAPCUYQASA-N 2 0 323.525 2.686 20 0 DFADRP CCC(CC)[C@H](C)C(=O)N(C)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000677766809 544539134 /nfs/dbraw/zinc/53/91/34/544539134.db2.gz PEPZIDDEMIKNKO-MAUKXSAKSA-N 2 0 323.525 2.686 20 0 DFADRP C[N@@H+]1CCC[C@H]1CC[NH+]1CCC(CC(=O)NC2CCCC2)CC1 ZINC000678072983 544594299 /nfs/dbraw/zinc/59/42/99/544594299.db2.gz HFHUKJQLIOKHSE-SFHVURJKSA-N 2 0 321.509 2.632 20 0 DFADRP CCn1nccc1C[NH+]1CCC(C[NH+]2CCCCCC2)CC1 ZINC000678139142 544609180 /nfs/dbraw/zinc/60/91/80/544609180.db2.gz LGRQNYUMZHOKCB-UHFFFAOYSA-N 2 0 304.482 2.991 20 0 DFADRP CCn1cc(C[NH+]2CCC(C[NH+]3CCCCCC3)CC2)cn1 ZINC000678138929 544609373 /nfs/dbraw/zinc/60/93/73/544609373.db2.gz CEGDPJHNUDZHGA-UHFFFAOYSA-N 2 0 304.482 2.991 20 0 DFADRP C[NH+](C)CCOc1ccc(C[N@@H+]2CCC3(C2)CCOCC3)cc1 ZINC000678295568 544646869 /nfs/dbraw/zinc/64/68/69/544646869.db2.gz IXPGRZGGMCDCKS-UHFFFAOYSA-N 2 0 318.461 2.630 20 0 DFADRP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@@H](C)c2ccc(C)nc2C)CC1 ZINC000678422529 544670517 /nfs/dbraw/zinc/67/05/17/544670517.db2.gz GUDSNDRNKHQFMQ-WBVHZDCISA-N 2 0 318.509 2.623 20 0 DFADRP Cc1ccc([C@@H](C)[NH2+][C@@H]2CCN(C3CC[NH+](C)CC3)C2)c(C)n1 ZINC000678428290 544671769 /nfs/dbraw/zinc/67/17/69/544671769.db2.gz PHZQJYCDSKKVJI-IAGOWNOFSA-N 2 0 316.493 2.518 20 0 DFADRP C[NH+](C)CCOc1ccc(C[N@H+](C)CCOC(C)(C)C)cc1 ZINC000678283798 544643918 /nfs/dbraw/zinc/64/39/18/544643918.db2.gz JMPKUAMEELPEKU-UHFFFAOYSA-N 2 0 308.466 2.874 20 0 DFADRP COc1cccc2c1OCC[C@@H]2[NH2+][C@@H](C)C1CC[NH+](C)CC1 ZINC000678590107 544697387 /nfs/dbraw/zinc/69/73/87/544697387.db2.gz UAPAKEDSPSWLQK-BBRMVZONSA-N 2 0 304.434 2.839 20 0 DFADRP C[C@@H]([NH2+]Cc1ccccc1-c1cnn(C)c1)C1CC[NH+](C)CC1 ZINC000678608098 544701949 /nfs/dbraw/zinc/70/19/49/544701949.db2.gz HMJWJKIHIOLSKM-OAHLLOKOSA-N 2 0 312.461 2.907 20 0 DFADRP CC[NH+]1CCN(CCC[NH2+][C@@H]2c3ccccc3CC[C@H]2C)CC1 ZINC000678766118 544716657 /nfs/dbraw/zinc/71/66/57/544716657.db2.gz MBSSGEXYHYQVOR-XLIONFOSSA-N 2 0 315.505 2.927 20 0 DFADRP C[C@H]1CCc2ccccc2[C@@H]1[NH2+]CCN1CCC([NH+](C)C)CC1 ZINC000678771360 544718678 /nfs/dbraw/zinc/71/86/78/544718678.db2.gz RJWZLSQZFJISIF-OXJNMPFZSA-N 2 0 315.505 2.926 20 0 DFADRP CCC[NH+]1CCC([NH2+]CCOc2cc(OC)cc(OC)c2)CC1 ZINC000678772067 544719066 /nfs/dbraw/zinc/71/90/66/544719066.db2.gz DIEYHIFKAJBJBZ-UHFFFAOYSA-N 2 0 322.449 2.547 20 0 DFADRP C[C@@H](C[NH2+][C@@H]1CCN(C2CC[NH+](C)CC2)C1)c1ccc(F)cc1 ZINC000678957123 544756331 /nfs/dbraw/zinc/75/63/31/544756331.db2.gz SAAQDPVDHKAKOJ-MAUKXSAKSA-N 2 0 319.468 2.687 20 0 DFADRP CCc1nc2ccccc2n1CC[NH2+][C@@H]1CC[N@@H+](CC)C[C@H]1C ZINC000679022446 544769564 /nfs/dbraw/zinc/76/95/64/544769564.db2.gz MVTKRBWESHRQPT-HZPDHXFCSA-N 2 0 314.477 2.919 20 0 DFADRP CCc1nc2ccccc2n1CC[NH2+][C@H]1CC[N@@H+](CC)C[C@@H]1C ZINC000679022445 544770124 /nfs/dbraw/zinc/77/01/24/544770124.db2.gz MVTKRBWESHRQPT-HOTGVXAUSA-N 2 0 314.477 2.919 20 0 DFADRP CC[N@@H+]1C[C@H](C)[C@H](NC2CC[NH+]([C@@H]3CCC[C@@H](C)C3)CC2)C1 ZINC000679076094 544779709 /nfs/dbraw/zinc/77/97/09/544779709.db2.gz QNOUFIPPVSCPKY-UKBAYJJMSA-N 2 0 307.526 2.959 20 0 DFADRP C[C@@H]1C[C@@H](Nc2cccc(OCCC[NH+](C)C)c2)CC[N@@H+]1C ZINC000679147974 544792535 /nfs/dbraw/zinc/79/25/35/544792535.db2.gz MMZVPHDLNSDIGL-WBVHZDCISA-N 2 0 305.466 2.912 20 0 DFADRP C[C@@H](CCCCO)[NH2+]CC(C)(C)N1CCc2ccccc2C1 ZINC000679334611 544836446 /nfs/dbraw/zinc/83/64/46/544836446.db2.gz AHNNFGYZCDAOLB-INIZCTEOSA-N 2 0 304.478 2.964 20 0 DFADRP C[C@H]([NH2+][C@@H]1CCC[C@H](O)C1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000679625001 544884771 /nfs/dbraw/zinc/88/47/71/544884771.db2.gz NYKGMYNQNRDXGD-KANFNMMFSA-N 2 0 302.462 2.790 20 0 DFADRP CC[NH+](CC)CCCC1CCN(C(=O)[C@H]2CCCC[N@@H+]2C)CC1 ZINC000679915965 544924375 /nfs/dbraw/zinc/92/43/75/544924375.db2.gz YQOWTHXOLBFXAE-GOSISDBHSA-N 2 0 323.525 2.831 20 0 DFADRP CO[C@H]1CCC[NH+](CC(C)C[N@H+]2CCC[C@H](OC)CC2)CC1 ZINC000679953868 544932658 /nfs/dbraw/zinc/93/26/58/544932658.db2.gz XOIAXMAUOABMJR-ROUUACIJSA-N 2 0 312.498 2.624 20 0 DFADRP CO[C@@H]1CCC[N@H+](Cc2cn(-c3cc[nH+]cc3)nc2C)CC1 ZINC000680333730 544992784 /nfs/dbraw/zinc/99/27/84/544992784.db2.gz APNNTAAMDSXAHQ-QGZVFWFLSA-N 2 0 300.406 2.577 20 0 DFADRP C[NH+](C)CCOc1ccc(C[NH2+][C@@]2(C)CCO[C@H]2C2CC2)cc1 ZINC000680148596 544963754 /nfs/dbraw/zinc/96/37/54/544963754.db2.gz FFXSDCGEOJXPLE-OALUTQOASA-N 2 0 318.461 2.674 20 0 DFADRP C[C@H]1OCC[C@@]1(C)[NH2+]Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000680145905 544964036 /nfs/dbraw/zinc/96/40/36/544964036.db2.gz VMEAESYVSDBHRH-VQIMIIECSA-N 2 0 318.461 2.818 20 0 DFADRP Cc1cccc2nc(C[NH+]3CCC(CC[NH+](C)C)CC3)cn21 ZINC000056522019 425895483 /nfs/dbraw/zinc/89/54/83/425895483.db2.gz AXCGMDIAFFPSFR-UHFFFAOYSA-N 2 0 300.450 2.806 20 0 DFADRP C[C@H]1C[NH+](CCCC[NH2+]Cc2ccc(F)c(F)c2)C[C@H](C)O1 ZINC000062253103 425900086 /nfs/dbraw/zinc/90/00/86/425900086.db2.gz AOPOLVNEQGYMJH-KBPBESRZSA-N 2 0 312.404 2.944 20 0 DFADRP C[C@@H]1C[NH+](CCCC[NH2+]Cc2ccc(F)c(F)c2)C[C@@H](C)O1 ZINC000067453054 425910799 /nfs/dbraw/zinc/91/07/99/425910799.db2.gz AOPOLVNEQGYMJH-ZIAGYGMSSA-N 2 0 312.404 2.944 20 0 DFADRP CC[NH+]1CCN([C@H](C)C[NH2+][C@H](C)c2cc(F)ccc2F)CC1 ZINC000155583863 425921564 /nfs/dbraw/zinc/92/15/64/425921564.db2.gz KTMGFRCQZUAKFO-ZIAGYGMSSA-N 2 0 311.420 2.641 20 0 DFADRP C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@@H]1[NH2+]CCc1cccs1 ZINC000155601192 425921711 /nfs/dbraw/zinc/92/17/11/425921711.db2.gz GFJAXHQAUSWJJV-VYDXJSESSA-N 2 0 308.491 2.770 20 0 DFADRP CC[C@@H]([NH2+]C[C@H](C)N1CC[NH+](CC)CC1)c1cccc(OC)c1 ZINC000155594457 425922074 /nfs/dbraw/zinc/92/20/74/425922074.db2.gz JJGOPLUYGGKMIP-QFBILLFUSA-N 2 0 319.493 2.762 20 0 DFADRP CCC[NH+]1CCC(N2CCN(Cc3ccsc3)CC2)CC1 ZINC000124492773 425922139 /nfs/dbraw/zinc/92/21/39/425922139.db2.gz VXBNGSOFKBVQET-UHFFFAOYSA-N 2 0 307.507 2.740 20 0 DFADRP Cc1ccc2c(c1)[C@H]([NH2+]CC1CC[NH+](CCN(C)C)CC1)CC2 ZINC000124488763 425922503 /nfs/dbraw/zinc/92/25/03/425922503.db2.gz XLVCZLMVHDSCIC-HXUWFJFHSA-N 2 0 315.505 2.846 20 0 DFADRP CC[NH+]1CCN([C@H](C)C[NH2+][C@H]2c3ccccc3C[C@@H]2C)CC1 ZINC000155627463 425922958 /nfs/dbraw/zinc/92/29/58/425922958.db2.gz LNPOBKKYFILTNB-FRQCXROJSA-N 2 0 301.478 2.536 20 0 DFADRP CC[C@H](C(=O)NC[C@H](c1ccccc1)[NH+](CC)CC)[NH+](C)C ZINC000124673568 425932135 /nfs/dbraw/zinc/93/21/35/425932135.db2.gz RYSQQWZDVDBHSP-IAGOWNOFSA-N 2 0 305.466 2.526 20 0 DFADRP C[C@H](CCN[C@H]1CC[N@H+](C)[C@@H](C)C1)[NH+](C)Cc1ccccc1 ZINC000156196411 425933976 /nfs/dbraw/zinc/93/39/76/425933976.db2.gz JCHQXSFIESPDGQ-AOIWGVFYSA-N 2 0 303.494 2.969 20 0 DFADRP Cc1ccc(CC[NH+]2CCN(C[C@H]3CCCC[N@H+]3C)CC2)cc1 ZINC000124700159 425933015 /nfs/dbraw/zinc/93/30/15/425933015.db2.gz WQCRUGPJLDGHAZ-HXUWFJFHSA-N 2 0 315.505 2.639 20 0 DFADRP CCc1cc(N2CC[N@H+](C[C@@H](C)O)[C@H](C)C2)c2ccccc2[nH+]1 ZINC000124715427 425934843 /nfs/dbraw/zinc/93/48/43/425934843.db2.gz UAKOTIYPPOLMQP-HUUCEWRRSA-N 2 0 313.445 2.689 20 0 DFADRP C[C@H](C[NH2+]C[C@@H](O)C[NH+]1CCCCC1)c1cccc(Cl)c1 ZINC000187708642 267871279 /nfs/dbraw/zinc/87/12/79/267871279.db2.gz JTDGSJBXZSKANX-RHSMWYFYSA-N 2 0 310.869 2.880 20 0 DFADRP CC[NH+](CC)[C@H](C)CNC(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000044277036 425855829 /nfs/dbraw/zinc/85/58/29/425855829.db2.gz QHWZBDKFOVZDJO-CQSZACIVSA-N 2 0 306.454 2.600 20 0 DFADRP COC(=O)C1CCC([NH2+]C[C@H]2CCC[N@H+](CC(C)C)C2)CC1 ZINC000192445916 268036332 /nfs/dbraw/zinc/03/63/32/268036332.db2.gz XBVQPMXPKWXJOI-KLAILNCOSA-N 2 0 310.482 2.676 20 0 DFADRP C[C@@H]([NH2+]CCCN1CC[NH+](C)CC1)C12CC3CC(CC(C3)C1)C2 ZINC000192924142 268053845 /nfs/dbraw/zinc/05/38/45/268053845.db2.gz MGERDCOWMLIUOR-PISSXIKFSA-N 2 0 319.537 2.818 20 0 DFADRP CC[NH+]1CCN([C@@H](C)C[NH2+]CCSCc2ccccc2)CC1 ZINC000193901871 268083606 /nfs/dbraw/zinc/08/36/06/268083606.db2.gz IBHGYHOVOGEARW-KRWDZBQOSA-N 2 0 321.534 2.535 20 0 DFADRP C[NH+](C)CCCC[NH2+][C@H]1CCC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000222995285 268141313 /nfs/dbraw/zinc/14/13/13/268141313.db2.gz SGSZASOMRNYPML-GJZGRUSLSA-N 2 0 313.486 2.754 20 0 DFADRP CCN(CCC[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1)C(=O)OC(C)(C)C ZINC000223170217 268142496 /nfs/dbraw/zinc/14/24/96/268142496.db2.gz PESMTACBVNMYJK-LSDHHAIUSA-N 2 0 313.486 2.706 20 0 DFADRP CC1CC[NH+](Cc2ccc(NC(=O)C(C)(C)C[NH3+])cc2)CC1 ZINC000236713158 268149482 /nfs/dbraw/zinc/14/94/82/268149482.db2.gz APWNZNWMXNHXNY-UHFFFAOYSA-N 2 0 303.450 2.842 20 0 DFADRP CC(C)[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CCCCCC[C@@H]2[NH3+])C1 ZINC000236825891 268151822 /nfs/dbraw/zinc/15/18/22/268151822.db2.gz AIMQHSBZRILMAU-ZACQAIPSSA-N 2 0 309.498 2.521 20 0 DFADRP CCC[C@](C)([NH3+])C(=O)N(C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000261552519 268168642 /nfs/dbraw/zinc/16/86/42/268168642.db2.gz RPCVOVHJQCHJDO-IBGZPJMESA-N 2 0 317.477 2.627 20 0 DFADRP CC(C)[NH+]1CCC([N@H+](C)CCC(=O)Nc2ccc(F)cc2)CC1 ZINC000263700037 268170710 /nfs/dbraw/zinc/17/07/10/268170710.db2.gz LIWONUKFHBCXIO-UHFFFAOYSA-N 2 0 321.440 2.959 20 0 DFADRP COc1cccc(N2CC[C@H]([NH2+][C@@H]3C[C@H](C)[N@H+](C)C[C@H]3C)C2)c1 ZINC000268867562 268186406 /nfs/dbraw/zinc/18/64/06/268186406.db2.gz TUYLKPJCRZLQJU-PASDCYSWSA-N 2 0 317.477 2.592 20 0 DFADRP Cc1cnn(CC[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)c1 ZINC000270650349 268195886 /nfs/dbraw/zinc/19/58/86/268195886.db2.gz QIBWKKKWDRJBCY-IEBWSBKVSA-N 2 0 312.461 2.692 20 0 DFADRP CC(C)[NH+]1CCN(C2CC[NH+](CCc3ccccc3)CC2)CC1 ZINC000270896973 268232224 /nfs/dbraw/zinc/23/22/24/268232224.db2.gz MBXZAPQKPISIHV-UHFFFAOYSA-N 2 0 315.505 2.720 20 0 DFADRP COC(=O)c1oc(C[NH+]2CCC(C[NH+]3CCCC3)CC2)cc1C ZINC000047972138 425872418 /nfs/dbraw/zinc/87/24/18/425872418.db2.gz ITRQESQBMJYTSA-UHFFFAOYSA-N 2 0 320.433 2.682 20 0 DFADRP COC(=O)c1ccc(C[NH+]2CCC(C[NH+]3CCCC3)CC2)cc1 ZINC000047969924 425872556 /nfs/dbraw/zinc/87/25/56/425872556.db2.gz VVUVCHGHPACMQO-UHFFFAOYSA-N 2 0 316.445 2.781 20 0 DFADRP COc1ccc([C@H](C)[NH2+]C2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)cc1 ZINC000271452630 268249554 /nfs/dbraw/zinc/24/95/54/268249554.db2.gz FAKSFLLQZJARQT-JVPBZIDWSA-N 2 0 318.461 2.724 20 0 DFADRP CC1(C)COC[C@@H]1[NH2+][C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000313123474 268338885 /nfs/dbraw/zinc/33/88/85/268338885.db2.gz STKYGTLNMPQHDT-OKYOBFRVSA-N 2 0 314.473 2.912 20 0 DFADRP C[C@@H](c1ccccc1Br)N1CCCO[C@H](C[NH3+])C1 ZINC000313350234 268339484 /nfs/dbraw/zinc/33/94/84/268339484.db2.gz MBZQKVQFLDIUQY-NWDGAFQWSA-N 2 0 313.239 2.560 20 0 DFADRP Cn1cnc(CC[NH2+]Cc2ccc(F)cc2Br)c1 ZINC000313290030 268339647 /nfs/dbraw/zinc/33/96/47/268339647.db2.gz DXHLSQPNLMLZTA-UHFFFAOYSA-N 2 0 312.186 2.654 20 0 DFADRP C[C@H](CCc1ccc2c(c1)OCO2)[N@@H+]1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000319597594 268346927 /nfs/dbraw/zinc/34/69/27/268346927.db2.gz XMPBXMNTIYBSPF-HBUWYVDXSA-N 2 0 304.434 2.653 20 0 DFADRP CON1CCC([NH2+][C@@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000323476840 268349868 /nfs/dbraw/zinc/34/98/68/268349868.db2.gz KZSOUEYSDCWUHY-FUHWJXTLSA-N 2 0 317.477 2.512 20 0 DFADRP Cc1nn2c(CN3CC[C@@H](C)[C@H](C[NH3+])C3)c(C(C)C)nc2s1 ZINC000333112627 268375341 /nfs/dbraw/zinc/37/53/41/268375341.db2.gz GTSTZWDIUBWJGQ-DGCLKSJQSA-N 2 0 321.494 2.639 20 0 DFADRP CCc1noc(C2CCC([NH2+]C[C@@]3(C)CCC[NH2+]C3)CC2)n1 ZINC000333183240 268380773 /nfs/dbraw/zinc/38/07/73/268380773.db2.gz QDWMSVZEOMDHMB-KVULBXGLSA-N 2 0 306.454 2.638 20 0 DFADRP CC(C)c1nnc2n1C[C@H]([NH2+][C@H](C)C[C@H]1CCCCC[NH2+]1)CC2 ZINC000333231024 268384648 /nfs/dbraw/zinc/38/46/48/268384648.db2.gz BZJMITBGEDXERI-BZUAXINKSA-N 2 0 319.497 2.617 20 0 DFADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@@H](c2ccc(F)cc2)N(C)C)[C@H](C)C1 ZINC000124789607 425938890 /nfs/dbraw/zinc/93/88/90/425938890.db2.gz ODWDRIZPRKSFIX-JLSDUUJJSA-N 2 0 307.457 2.748 20 0 DFADRP CN(c1nc(CN2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)cs1)C1CC1 ZINC000158754476 425947044 /nfs/dbraw/zinc/94/70/44/425947044.db2.gz CXAKIKUUZKKCOI-CJNGLKHVSA-N 2 0 320.506 2.658 20 0 DFADRP COC(=O)CCC[NH+]1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000158844017 425948540 /nfs/dbraw/zinc/94/85/40/425948540.db2.gz HJIPAXNXWIRLRU-MRXNPFEDSA-N 2 0 310.482 2.916 20 0 DFADRP C[C@@H]1CCC[C@@H](C)C1[NH2+]Cc1ccnc(N2CC[NH+](C)CC2)c1 ZINC000159178022 425956053 /nfs/dbraw/zinc/95/60/53/425956053.db2.gz WANKKLHFHIUMKJ-HZPDHXFCSA-N 2 0 316.493 2.748 20 0 DFADRP CC(C)[N@H+](CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C)C1CCC1 ZINC000159204747 425956927 /nfs/dbraw/zinc/95/69/27/425956927.db2.gz OYSGKSCGAOYRJY-SFHVURJKSA-N 2 0 317.477 2.668 20 0 DFADRP COC[C@H](C)[NH2+]CCCC[NH+]1CCN(c2cccc(C)c2)CC1 ZINC000125339826 425966507 /nfs/dbraw/zinc/96/65/07/425966507.db2.gz RDENGTMQKRYZSO-SFHVURJKSA-N 2 0 319.493 2.522 20 0 DFADRP [NH3+]CC[C@H]1CCC[N@H+](CCC(=O)Nc2ccccc2Cl)C1 ZINC000070170990 425968451 /nfs/dbraw/zinc/96/84/51/425968451.db2.gz NJEWOXQQSCEDIX-CYBMUJFWSA-N 2 0 309.841 2.729 20 0 DFADRP C[C@H]1C[N@H+](C)CC[C@@H]1[NH2+]CC1CC[NH+](Cc2cccs2)CC1 ZINC000125478797 425974398 /nfs/dbraw/zinc/97/43/98/425974398.db2.gz MVWRECGOQNZWQC-YJBOKZPZSA-N 3 0 321.534 2.890 20 0 DFADRP CCC[NH+]1CCC([N@H+](C)Cc2cc3ccccc3[nH]c2=O)CC1 ZINC000111240444 426040849 /nfs/dbraw/zinc/04/08/49/426040849.db2.gz KVCCCKQSCRQNSZ-UHFFFAOYSA-N 2 0 313.445 2.834 20 0 DFADRP C[C@H]1CCc2c(F)cccc2[C@H]1[NH2+]CCCN1CC[NH+](C)CC1 ZINC000162489282 426066307 /nfs/dbraw/zinc/06/63/07/426066307.db2.gz OPTGTXKBVQSXRJ-KXBFYZLASA-N 2 0 319.468 2.676 20 0 DFADRP COC(=O)[C@H](C)[C@@H]([NH2+]CCCn1ccnc1C)c1ccccc1 ZINC000127450299 426066838 /nfs/dbraw/zinc/06/68/38/426066838.db2.gz OCGISOAHFRCTSX-RHSMWYFYSA-N 2 0 315.417 2.722 20 0 DFADRP CCn1cc([C@@H](C)[NH2+]Cc2cccc(OCC[NH+](C)C)c2)cn1 ZINC000162532963 426068257 /nfs/dbraw/zinc/06/82/57/426068257.db2.gz YEHQDMFZLPBSMW-OAHLLOKOSA-N 2 0 316.449 2.694 20 0 DFADRP C[C@@H]1CC[C@H]([NH2+]CCCN2CC[NH+](C)CC2)c2ccccc21 ZINC000162544425 426068598 /nfs/dbraw/zinc/06/85/98/426068598.db2.gz PRZFPYWJDVPWOO-APWZRJJASA-N 2 0 301.478 2.852 20 0 DFADRP C[C@@H]([NH2+]CCCN1CC[NH+](C)CC1)c1cnc2ccsc2c1 ZINC000126455245 426020439 /nfs/dbraw/zinc/02/04/39/426020439.db2.gz AAGGCMLVKAZBDG-CQSZACIVSA-N 2 0 318.490 2.584 20 0 DFADRP C[C@H]([NH2+]CCCN1CC[NH+](C)CC1)c1cnc2ccsc2c1 ZINC000126455016 426020951 /nfs/dbraw/zinc/02/09/51/426020951.db2.gz AAGGCMLVKAZBDG-AWEZNQCLSA-N 2 0 318.490 2.584 20 0 DFADRP C[N@H+](Cc1ccccc1)CC(C)(C)CN1CC[NH+](C2CC2)CC1 ZINC000127928629 426093057 /nfs/dbraw/zinc/09/30/57/426093057.db2.gz UUSPWOMYDZQHJU-UHFFFAOYSA-N 2 0 315.505 2.925 20 0 DFADRP CC[C@@H]([NH2+]C[C@@H]1CC[N@H+](CC)C1)c1ccc2c(c1)OCCO2 ZINC000163243256 426093212 /nfs/dbraw/zinc/09/32/12/426093212.db2.gz PBPFUOKIIRJQIC-GOEBONIOSA-N 2 0 304.434 2.840 20 0 DFADRP CC[C@H]([NH2+]C[C@H]1CC[N@H+](CC)C1)c1ccc2c(c1)OCCO2 ZINC000163243376 426093604 /nfs/dbraw/zinc/09/36/04/426093604.db2.gz PBPFUOKIIRJQIC-ZBFHGGJFSA-N 2 0 304.434 2.840 20 0 DFADRP Cc1csc(CNc2ncnc3c2cnn3-c2ccncc2)n1 ZINC000163465234 426100282 /nfs/dbraw/zinc/10/02/82/426100282.db2.gz ABQUQPGSDZSOFY-UHFFFAOYSA-N 2 0 323.385 2.588 20 0 DFADRP CCOC(=O)CCC[N@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000076109789 426100928 /nfs/dbraw/zinc/10/09/28/426100928.db2.gz BMSZGLKTDIWQEY-SFHVURJKSA-N 2 0 318.461 2.784 20 0 DFADRP CC(C)(C)[C@@H]1CCCC[C@H]1[NH2+]CCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000128116646 426102614 /nfs/dbraw/zinc/10/26/14/426102614.db2.gz YRONTCHUSUWNBH-GVDBMIGSSA-N 2 0 323.525 2.768 20 0 DFADRP CC(C)[C@H]1CC[C@@H](C)C[C@H]1[NH2+]CCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000128224726 426107525 /nfs/dbraw/zinc/10/75/25/426107525.db2.gz DRQSRPTWVWCOEI-XMTFNYHQSA-N 2 0 323.525 2.624 20 0 DFADRP CC(C)C[C@@H]([NH2+]CCCN1CCC[N@H+](C)CC1)c1ccccn1 ZINC000128253239 426109038 /nfs/dbraw/zinc/10/90/38/426109038.db2.gz GGSCGCRTUKJSPA-LJQANCHMSA-N 2 0 318.509 2.786 20 0 DFADRP CC(C)N(CC[C@@H]1CCC[N@@H+]1C)CC(=O)Nc1ccc(F)cc1 ZINC000128273871 426109911 /nfs/dbraw/zinc/10/99/11/426109911.db2.gz UAQKXNJQXNYTQU-KRWDZBQOSA-N 2 0 321.440 2.959 20 0 DFADRP CC(C)Oc1cccc([C@@H](O)C[NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)c1 ZINC000128266378 426110504 /nfs/dbraw/zinc/11/05/04/426110504.db2.gz SFKIFWLRPPXFCT-LESCRADOSA-N 2 0 306.450 2.580 20 0 DFADRP COc1ccc(C)cc1[C@@H](C)[NH2+]CCCN1CCC[N@H+](C)CC1 ZINC000128372713 426113969 /nfs/dbraw/zinc/11/39/69/426113969.db2.gz CTSVPZZPGLMBKB-QGZVFWFLSA-N 2 0 319.493 2.682 20 0 DFADRP C[C@@H]([NH2+]CCCN1CCC[N@H+](C)CC1)c1cc(F)cc(F)c1 ZINC000128442958 426117504 /nfs/dbraw/zinc/11/75/04/426117504.db2.gz WMQFSNBLRANIOX-CQSZACIVSA-N 2 0 311.420 2.643 20 0 DFADRP [NH3+][C@H]1CC[C@@H](C(=O)Nc2cccc(C[NH+]3CCCCC3)c2)C1 ZINC000165134863 426120710 /nfs/dbraw/zinc/12/07/10/426120710.db2.gz HLJWOFGOUQKOBG-CVEARBPZSA-N 2 0 301.434 2.738 20 0 DFADRP COC[C@@H]([NH2+][C@H](C)c1ccc(OCC[NH+](C)C)cc1)C(C)C ZINC000165877945 426125018 /nfs/dbraw/zinc/12/50/18/426125018.db2.gz XCAGOESIPSABGJ-CRAIPNDOSA-N 2 0 308.466 2.949 20 0 DFADRP CC(C)[N@H+](CC(=O)NC1CC[NH+](C(C)C)CC1)C1CCCC1 ZINC000114456323 426136150 /nfs/dbraw/zinc/13/61/50/426136150.db2.gz HACWVDIKWFKTRU-UHFFFAOYSA-N 2 0 309.498 2.628 20 0 DFADRP CC[N@@H+]1CC[C@H]([NH2+]CCN2c3ccccc3C[C@@H]2C)[C@H](C)C1 ZINC000162727069 426073831 /nfs/dbraw/zinc/07/38/31/426073831.db2.gz KWGNQSMKHMVUNA-RYRKJORJSA-N 2 0 301.478 2.758 20 0 DFADRP CC[C@H]([NH2+]C[C@@H](C)N1CC[NH+](C)CC1)c1ccc(F)cc1F ZINC000127590431 426075824 /nfs/dbraw/zinc/07/58/24/426075824.db2.gz VJMYPYHWSLOCNF-DYVFJYSZSA-N 2 0 311.420 2.641 20 0 DFADRP Cc1cc(C)n(-c2ccc(C[N@H+]3CC[C@@H](C[NH+](C)C)C3)cc2)n1 ZINC000114479581 426137634 /nfs/dbraw/zinc/13/76/34/426137634.db2.gz GTHLOKPVCVHSIJ-SFHVURJKSA-N 2 0 312.461 2.873 20 0 DFADRP CCCC[C@@H](C[NH3+])NC(=O)c1cccc(C[NH+]2CCCC2)c1 ZINC000162902478 426082414 /nfs/dbraw/zinc/08/24/14/426082414.db2.gz CUQDQDXIWCYHII-KRWDZBQOSA-N 2 0 303.450 2.530 20 0 DFADRP C[C@H]1C[N@H+](C)CC[C@H]1N[C@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000129609650 426140196 /nfs/dbraw/zinc/14/01/96/426140196.db2.gz LKWZEJBIGSLATK-QGZVKYPTSA-N 2 0 315.505 2.969 20 0 DFADRP C[NH+](C)CCCC1CC[NH+](CCCO[C@H]2CCCCO2)CC1 ZINC000338287776 268652047 /nfs/dbraw/zinc/65/20/47/268652047.db2.gz VXUMBXAZHGKJDD-SFHVURJKSA-N 2 0 312.498 2.974 20 0 DFADRP C[NH+]1CCN(CCC[NH2+][C@H]2CC[C@H](c3ccccc3)C2)CC1 ZINC000130318233 426155034 /nfs/dbraw/zinc/15/50/34/426155034.db2.gz KDYXZXYMPPIJFG-OALUTQOASA-N 2 0 301.478 2.550 20 0 DFADRP CC[N@@H+]1CC[C@@H]([NH2+]CCc2cnn(-c3ccccc3)c2)[C@H](C)C1 ZINC000130381463 426156409 /nfs/dbraw/zinc/15/64/09/426156409.db2.gz VOVHQKGUSZNGMC-VQIMIIECSA-N 2 0 312.461 2.735 20 0 DFADRP CC[NH+](CC)CC(=O)NC1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC000116215813 426183792 /nfs/dbraw/zinc/18/37/92/426183792.db2.gz QIFYVZNJOHTIOK-MRXNPFEDSA-N 2 0 317.477 2.670 20 0 DFADRP CCCCNC(=O)CC[N@@H+]1CCC[C@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000116281091 426186097 /nfs/dbraw/zinc/18/60/97/426186097.db2.gz YATPUHLHCDPHJX-ROUUACIJSA-N 2 0 323.525 2.879 20 0 DFADRP CC(C)C[C@H](C[NH+](C)C)NC(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000079498040 426194546 /nfs/dbraw/zinc/19/45/46/426194546.db2.gz PTLVAUBVQFEDTJ-QGZVFWFLSA-N 2 0 320.481 2.846 20 0 DFADRP O[C@@H](Cc1ccccc1)C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000134911124 426199467 /nfs/dbraw/zinc/19/94/67/426199467.db2.gz FVYGLUJEYNXFLD-YZGWKJHDSA-N 2 0 314.473 2.539 20 0 DFADRP CSc1ccc([C@@H](C)[NH2+]CC2CC[NH+](CCO)CC2)cc1 ZINC000173396384 426239511 /nfs/dbraw/zinc/23/95/11/426239511.db2.gz YFFUOUACZGWTOH-CQSZACIVSA-N 2 0 308.491 2.763 20 0 DFADRP COC(=O)c1ccc(C[NH+]2CCC(CC[NH+](C)C)CC2)s1 ZINC000119271705 426274426 /nfs/dbraw/zinc/27/44/26/426274426.db2.gz FFMSGQHTDFCCHX-UHFFFAOYSA-N 2 0 310.463 2.698 20 0 DFADRP c1cnn(-c2ccc(C[N@H+]3CC[C@H](C[NH+]4CCCC4)C3)cc2)c1 ZINC000150764760 426260645 /nfs/dbraw/zinc/26/06/45/426260645.db2.gz UKOFTQNMZVVZOW-GOSISDBHSA-N 2 0 310.445 2.790 20 0 DFADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1NC[C@@H]1CCC[NH+]1Cc1ccccc1 ZINC000119113249 426263632 /nfs/dbraw/zinc/26/36/32/426263632.db2.gz JVPHIVISLZFTGN-JYBIWHBTSA-N 2 0 315.505 2.969 20 0 DFADRP C[C@@H](c1ccc(F)cc1F)[N@H+](C)CCCN1CC[NH+](C)CC1 ZINC000174712814 426264125 /nfs/dbraw/zinc/26/41/25/426264125.db2.gz YZEPXXYHCSXRRV-AWEZNQCLSA-N 2 0 311.420 2.595 20 0 DFADRP Cc1ccc([C@@H](C)[NH2+]C2CCN(CC[NH+](C)C)CC2)c(C)c1 ZINC000150984975 426271064 /nfs/dbraw/zinc/27/10/64/426271064.db2.gz KXNBSYMZMQLNCE-QGZVFWFLSA-N 2 0 303.494 2.980 20 0 DFADRP CC(C)C[C@@H]1CCC[N@H+](CC(=O)NC2CC[NH+](C(C)C)CC2)C1 ZINC000119256175 426272820 /nfs/dbraw/zinc/27/28/20/426272820.db2.gz GGIBHRFTWKDYPH-KRWDZBQOSA-N 2 0 323.525 2.734 20 0 DFADRP COc1ccc([C@@H](C)[C@@H](C)[NH2+]C[C@H](O)C[NH+]2CCCCC2)cc1 ZINC000151308299 426289522 /nfs/dbraw/zinc/28/95/22/426289522.db2.gz ZGFUVJPGZSBLNA-JZXOWHBKSA-N 2 0 320.477 2.624 20 0 DFADRP CC(C)[C@H](Cc1ccc(F)cc1)[NH2+]CC1CC[NH+](CCO)CC1 ZINC000151842643 426314862 /nfs/dbraw/zinc/31/48/62/426314862.db2.gz XWMPQZOXHSECJP-IBGZPJMESA-N 2 0 322.468 2.687 20 0 DFADRP C[NH+](C)CCC[NH2+]C1CCN(Cc2ccccc2Cl)CC1 ZINC000151922962 426319192 /nfs/dbraw/zinc/31/91/92/426319192.db2.gz GOHBBJPRLUIKKP-UHFFFAOYSA-N 2 0 309.885 2.846 20 0 DFADRP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)Cc2cnc(C3CC3)s2)CC1 ZINC000121150940 426321593 /nfs/dbraw/zinc/32/15/93/426321593.db2.gz BZXJZUJJTRAZIG-CYBMUJFWSA-N 2 0 323.506 2.545 20 0 DFADRP C[NH+]1CCC(C[NH2+]C2CCN(Cc3ccccc3)CC2)CC1 ZINC000121190125 426323755 /nfs/dbraw/zinc/32/37/55/426323755.db2.gz XTGJLAAXDSTYCH-UHFFFAOYSA-N 3 0 301.478 2.582 20 0 DFADRP C[C@H]1C[N@H+](C)CC[C@@H]1[NH2+]CC1(c2ccc(F)cc2)CCOCC1 ZINC000152054452 426324013 /nfs/dbraw/zinc/32/40/13/426324013.db2.gz HQPHASQCOHVLMF-YJBOKZPZSA-N 2 0 320.452 2.804 20 0 DFADRP C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1N[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000152285845 426336669 /nfs/dbraw/zinc/33/66/69/426336669.db2.gz YVZJAPUXWUBQST-QFHJOOASSA-N 2 0 301.478 2.579 20 0 DFADRP CCSc1ccc([C@@H](C)[NH2+]CC2(O)CC[NH+](C)CC2)cc1 ZINC000339678108 268863622 /nfs/dbraw/zinc/86/36/22/268863622.db2.gz RKGNKDQICUVSEG-CQSZACIVSA-N 2 0 308.491 2.906 20 0 DFADRP CCC[NH+]1CCN(c2ccccc2C[NH2+]Cc2cccnc2)CC1 ZINC000088668594 426279152 /nfs/dbraw/zinc/27/91/52/426279152.db2.gz ALVOUMLQTJOYQQ-UHFFFAOYSA-N 2 0 324.472 2.903 20 0 DFADRP C[C@@H]1CCc2c(F)cccc2[C@H]1NC[C@H](O)C[NH+]1CCCCC1 ZINC000151253317 426286031 /nfs/dbraw/zinc/28/60/31/426286031.db2.gz BPPPVZQABJMZJL-VCBZYWHSSA-N 2 0 320.452 2.886 20 0 DFADRP COC(=O)c1ccc(CN2CC[C@H](C[NH+]3CCCCC3)C2)s1 ZINC000119427851 426287491 /nfs/dbraw/zinc/28/74/91/426287491.db2.gz OZBDMWWIWAQQRU-CQSZACIVSA-N 2 0 322.474 2.843 20 0 DFADRP CC(C)[C@H](Cc1ccc(F)cc1)[NH2+]C[C@@H](O)C[NH+]1CCCCC1 ZINC000151298221 426287953 /nfs/dbraw/zinc/28/79/53/426287953.db2.gz ASWJDCVXSMCOPN-MOPGFXCFSA-N 2 0 322.468 2.829 20 0 DFADRP C[N@H+](CCCN1CC[NH+](C)CC1)Cc1cccc2ccccc21 ZINC000122833474 426397562 /nfs/dbraw/zinc/39/75/62/426397562.db2.gz NFQZNJXDZDEBFE-UHFFFAOYSA-N 2 0 311.473 2.909 20 0 DFADRP C[C@@H](c1cccc(Cl)c1)[N@H+](C)CCCN1CC[NH+](C)CC1 ZINC000122854213 426399179 /nfs/dbraw/zinc/39/91/79/426399179.db2.gz GHEVZTBVFOPLCI-HNNXBMFYSA-N 2 0 309.885 2.970 20 0 DFADRP CN(Cc1cc(Cl)c2c(c1)OCCO2)C[C@@H]1CCC[N@H+](C)C1 ZINC000152378690 426341791 /nfs/dbraw/zinc/34/17/91/426341791.db2.gz PBCQJWULQIKSLQ-CYBMUJFWSA-N 2 0 324.852 2.885 20 0 DFADRP CC[C@@H]([NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1)c1ccc2c(c1)OCCO2 ZINC000152408905 426342315 /nfs/dbraw/zinc/34/23/15/426342315.db2.gz RQEUDFLSYXFNCZ-WMLDXEAASA-N 2 0 316.445 2.983 20 0 DFADRP CCN(CC)C(=O)[C@H](C)[NH+]1CCC(CCC[NH+]2CCCC2)CC1 ZINC000121629269 426351413 /nfs/dbraw/zinc/35/14/13/426351413.db2.gz HYQJWKNLOAXHMU-KRWDZBQOSA-N 2 0 323.525 2.831 20 0 DFADRP Cc1nn(C)cc1C[NH2+]C[C@@]1(C)CCCN1Cc1ccccc1 ZINC000121817326 426353518 /nfs/dbraw/zinc/35/35/18/426353518.db2.gz MTUUEQDQIVAPLI-LJQANCHMSA-N 2 0 312.461 2.873 20 0 DFADRP C[NH+](C/C=C/C[N@H+](C)CCc1ccccn1)CCc1ccccn1 ZINC000153017082 426366370 /nfs/dbraw/zinc/36/63/70/426366370.db2.gz ULLMJRKOLXRJIU-BQYQJAHWSA-N 2 0 324.472 2.682 20 0 DFADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1NCCC[NH+]1CCc2ccccc2C1 ZINC000122780406 426393288 /nfs/dbraw/zinc/39/32/88/426393288.db2.gz WJGGCZDBAYFLFF-FUHIMQAGSA-N 2 0 315.505 2.753 20 0 DFADRP CC[N@@H+]1CC[C@H](NCCC[NH+]2CCc3ccccc3C2)[C@H](C)C1 ZINC000122770990 426393977 /nfs/dbraw/zinc/39/39/77/426393977.db2.gz VQVPEPVIDAPFJZ-XLIONFOSSA-N 2 0 315.505 2.755 20 0 DFADRP C[C@@H]1C[C@H]([NH2+]Cc2cccc(C[NH+]3CCCC3)c2)CC[N@@H+]1C ZINC000122999326 426407459 /nfs/dbraw/zinc/40/74/59/426407459.db2.gz QQBZDICQHKOHSG-VQIMIIECSA-N 2 0 301.478 2.855 20 0 DFADRP CCOc1ccc(CN[C@H]2C[C@H](C)[N@H+](C)C[C@@H]2C)cc1OC ZINC000153840319 426409211 /nfs/dbraw/zinc/40/92/11/426409211.db2.gz YUKJBQGHIYBMKJ-DZKIICNBSA-N 2 0 306.450 2.912 20 0 DFADRP CC[C@@H](C[NH2+][C@H](COC)C1CC1)N1CCc2ccccc2C1 ZINC000123139629 426416302 /nfs/dbraw/zinc/41/63/02/426416302.db2.gz UBRXXFCQYAFAGS-RBUKOAKNSA-N 2 0 302.462 2.838 20 0 DFADRP Cc1ccccc1C[NH+]1CCN(CC[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC000154012728 426418091 /nfs/dbraw/zinc/41/80/91/426418091.db2.gz PBENOJDRGDTMBL-OALUTQOASA-N 2 0 315.505 2.985 20 0 DFADRP C[C@H](C[NH2+][C@@H]1CCN([C@@H](C)c2ccccc2)C1)Cn1ccnc1 ZINC000176836079 426418186 /nfs/dbraw/zinc/41/81/86/426418186.db2.gz NWNKPACZZLVITA-ZIFCJYIRSA-N 3 0 312.461 2.944 20 0 DFADRP C(CC[NH+]1CCOC2(CCC2)C1)CC[N@@H+]1CCOC2(CCC2)C1 ZINC000154109398 426425194 /nfs/dbraw/zinc/42/51/94/426425194.db2.gz HTOHLKQYSLCUQQ-UHFFFAOYSA-N 2 0 322.493 2.667 20 0 DFADRP C[C@H]1C[N@H+](C)CC[C@@H]1[NH2+]CCc1cc(C(F)(F)F)ccn1 ZINC000340466772 268978504 /nfs/dbraw/zinc/97/85/04/268978504.db2.gz RJXBNJCNBFJVLJ-FZMZJTMJSA-N 2 0 301.356 2.573 20 0 DFADRP CC[NH+]1CCN(CCC[NH2+][C@H](C)c2cc(C)ccc2C)CC1 ZINC000154249606 426432715 /nfs/dbraw/zinc/43/27/15/426432715.db2.gz UBNCPCBUHOBOEA-GOSISDBHSA-N 2 0 303.494 2.982 20 0 DFADRP CC[NH+]1CCN(CCC[NH2+][C@H](C)c2ccc3c(c2)CCC3)CC1 ZINC000154250966 426432944 /nfs/dbraw/zinc/43/29/44/426432944.db2.gz HWLDFSIBQGYYGI-QGZVFWFLSA-N 2 0 315.505 2.854 20 0 DFADRP CC(C)[NH+]1CCC(O)(C[NH2+]C2CC(c3ccccc3F)C2)CC1 ZINC000341295789 269063264 /nfs/dbraw/zinc/06/32/64/269063264.db2.gz YQGGSWZYXKLLJJ-UHFFFAOYSA-N 2 0 320.452 2.897 20 0 DFADRP C[C@H](O)C[C@H](C)[NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]12 ZINC000341332200 269071022 /nfs/dbraw/zinc/07/10/22/269071022.db2.gz SOUXREDPZMDGRQ-BHEBFOIGSA-N 2 0 302.462 2.646 20 0 DFADRP COc1cccc([C@H](C)[NH2+]CCCN2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000177194070 426452973 /nfs/dbraw/zinc/45/29/73/426452973.db2.gz HTYXRJPJFOGCOC-XHSDSOJGSA-N 2 0 306.450 2.845 20 0 DFADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]C[C@H](OC)C(C)(C)C)[C@H](C)C1 ZINC000154928364 426459501 /nfs/dbraw/zinc/45/95/01/426459501.db2.gz MJWCZJPURHPCHF-IKGGRYGDSA-N 2 0 314.514 2.774 20 0 DFADRP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@@H]1CCc2cc(Cl)ccc21 ZINC000155098379 426463828 /nfs/dbraw/zinc/46/38/28/426463828.db2.gz RNBRRSIYGVZXKD-CXAGYDPISA-N 2 0 307.869 2.553 20 0 DFADRP COc1ccc(CCC[NH2+][C@H]2CC[N@H+](C)C[C@@H]2C)cc1OC ZINC000155202572 426466181 /nfs/dbraw/zinc/46/61/81/426466181.db2.gz STIASULHHRFELC-HOCLYGCPSA-N 2 0 306.450 2.566 20 0 DFADRP C[C@@H]1C[C@H]([NH2+]C2CCC(C(=O)OC(C)(C)C)CC2)CCN1C ZINC000124265073 426477261 /nfs/dbraw/zinc/47/72/61/426477261.db2.gz CPJWZOFVTKKBQC-PRLABOORSA-N 2 0 310.482 2.959 20 0 DFADRP CC(C)[NH+]1CCC(C(=O)NC2CC[NH+](C3CCCC3)CC2)CC1 ZINC000177422167 426477444 /nfs/dbraw/zinc/47/74/44/426477444.db2.gz HEWNQIXDDLBOCT-UHFFFAOYSA-N 2 0 321.509 2.630 20 0 DFADRP CC[NH+](CC)Cc1ccccc1C[NH2+][C@@H]1CCN(C(C)C)C1=O ZINC000177415630 426477887 /nfs/dbraw/zinc/47/78/87/426477887.db2.gz JQEITVFBRHHLGZ-GOSISDBHSA-N 2 0 317.477 2.627 20 0 DFADRP C[C@@H]1C[N@@H+](CCC2CC[NH+](Cc3cccnc3)CC2)C[C@H](C)O1 ZINC000177479292 426482887 /nfs/dbraw/zinc/48/28/87/426482887.db2.gz BWVXNVMLEPOCPN-CALCHBBNSA-N 2 0 317.477 2.793 20 0 DFADRP C[C@@H]1Cc2ccccc2[C@@H]1[NH2+]CC1CC[NH+](CCN(C)C)CC1 ZINC000124395678 426483083 /nfs/dbraw/zinc/48/30/83/426483083.db2.gz INGKVZHSGNOSNI-OXQOHEQNSA-N 2 0 315.505 2.783 20 0 DFADRP C[C@H](C(=O)NCCC1=CCCCC1)[N@H+](C)CCCn1ccnc1 ZINC000124400502 426483509 /nfs/dbraw/zinc/48/35/09/426483509.db2.gz ZYMKJFYYXZDZKS-MRXNPFEDSA-N 2 0 318.465 2.600 20 0 DFADRP COc1cc(C[NH2+]CC2(C)CC[NH+](C)CC2)cc(OC)c1OC ZINC000272404692 426516766 /nfs/dbraw/zinc/51/67/66/426516766.db2.gz BIICHJHUOOFZJR-UHFFFAOYSA-N 2 0 322.449 2.534 20 0 DFADRP C[C@H]1CCC[C@H](C)C1[NH2+]Cc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000177827162 426525975 /nfs/dbraw/zinc/52/59/75/426525975.db2.gz ZWYMQVMUNDDUMO-HOTGVXAUSA-N 2 0 316.493 2.748 20 0 DFADRP C[C@H](C[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1)N1CCc2sccc2C1 ZINC000177864226 426529788 /nfs/dbraw/zinc/52/97/88/426529788.db2.gz LNBXDCRPFTYRJH-LZWOXQAQSA-N 2 0 307.507 2.567 20 0 DFADRP C[C@@H](NCC[NH+]1CCCC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272457483 426530083 /nfs/dbraw/zinc/53/00/83/426530083.db2.gz KARUTJLZOPQVBJ-IEBWSBKVSA-N 2 0 301.478 2.582 20 0 DFADRP C/C=C/C[C@@H](CO)[NH2+][C@@H](C)c1ccc(OCC[NH+](C)C)cc1 ZINC000186520494 426542555 /nfs/dbraw/zinc/54/25/55/426542555.db2.gz SYRNESPKDRJTMQ-KAWBWNIXSA-N 2 0 306.450 2.605 20 0 DFADRP CC(C)[C@@H](C[NH+]1CCC([N@H+](C)CCO)CC1)c1ccccc1 ZINC000280303878 426545822 /nfs/dbraw/zinc/54/58/22/426545822.db2.gz PTCXTCYGXMUXLI-LJQANCHMSA-N 2 0 304.478 2.815 20 0 DFADRP C[C@@H]1CN(Cc2ccccc2)C[C@@H]1[NH2+]CC1(C)CC[NH+](C)CC1 ZINC000272525431 426549737 /nfs/dbraw/zinc/54/97/37/426549737.db2.gz JMAJDHTUXIIRPR-MJGOQNOKSA-N 2 0 315.505 2.828 20 0 DFADRP C[C@@H]([NH2+][C@@H](C)CCN1CC[NH+](C)CC1)c1cc(F)cc(F)c1 ZINC000186569623 426552209 /nfs/dbraw/zinc/55/22/09/426552209.db2.gz WUVBZPSXGLOSLY-UONOGXRCSA-N 2 0 311.420 2.641 20 0 DFADRP O=c1[nH]c2ccccc2cc1C[N@@H+]1CCC[C@H]1Cn1ccnc1 ZINC000177993489 426552500 /nfs/dbraw/zinc/55/25/00/426552500.db2.gz NUVJFCUCIKMRPR-INIZCTEOSA-N 2 0 308.385 2.802 20 0 DFADRP Cc1cccc(CC[C@H](C)[NH2+][C@H](C)CCN2CC[NH+](C)CC2)c1 ZINC000186570419 426553567 /nfs/dbraw/zinc/55/35/67/426553567.db2.gz WDSKBZVLVRWVEG-RBUKOAKNSA-N 2 0 317.521 2.932 20 0 DFADRP CCSCC[NH+]1CCC(CC[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000177508123 426490331 /nfs/dbraw/zinc/49/03/31/426490331.db2.gz NXLWLYRZXAIVMR-HOTGVXAUSA-N 2 0 314.539 2.951 20 0 DFADRP CCO[C@@H]1C[C@H]([NH2+]CCC[NH+]2CCC(C)CC2)C12CCOCC2 ZINC000186214459 426494068 /nfs/dbraw/zinc/49/40/68/426494068.db2.gz ZLGWKTCMXSJZTN-ZWKOTPCHSA-N 2 0 324.509 2.672 20 0 DFADRP C[C@H]([NH2+]CCCC[N@@H+]1CCC[C@@H]1CO)c1ccc2c(c1)CCO2 ZINC000178070312 426567406 /nfs/dbraw/zinc/56/74/06/426567406.db2.gz WBZMPQIVXSNIQP-MAUKXSAKSA-N 2 0 318.461 2.509 20 0 DFADRP C[C@@H]([NH2+]CC(C)(C)CCO)c1cccc(OCC[NH+](C)C)c1 ZINC000178163445 426580046 /nfs/dbraw/zinc/58/00/46/426580046.db2.gz DISCZYRYMUIRBS-OAHLLOKOSA-N 2 0 308.466 2.686 20 0 DFADRP COCCOCc1ccc(C[N@H+](C)C[C@@H]2CCC[NH+](C)C2)cc1 ZINC000289113788 426585777 /nfs/dbraw/zinc/58/57/77/426585777.db2.gz NEAJJLHAEGVFIV-LJQANCHMSA-N 2 0 320.477 2.623 20 0 DFADRP CC[NH+](CC)CCSCC(=O)Nc1ccc([C@H](C)[NH3+])cc1 ZINC000178208801 426587008 /nfs/dbraw/zinc/58/70/08/426587008.db2.gz FNXSOCSVIZSGLY-ZDUSSCGKSA-N 2 0 309.479 2.720 20 0 DFADRP CCC[C@H](C)[NH+]1CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC1 ZINC000186905512 426607949 /nfs/dbraw/zinc/60/79/49/426607949.db2.gz QNQILORSBOESST-HNNXBMFYSA-N 2 0 311.514 2.591 20 0 DFADRP C[C@H](C[NH2+][C@@H]1C[C@@H](C)c2ccccc21)CN1CC[NH+](C)CC1 ZINC000289223021 426609795 /nfs/dbraw/zinc/60/97/95/426609795.db2.gz LKCRHXWLFZGXLT-GPMSIDNRSA-N 2 0 301.478 2.708 20 0 DFADRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+][C@@H]1CCSc2ccccc21 ZINC000186602033 426560775 /nfs/dbraw/zinc/56/07/75/426560775.db2.gz IEXFYSLNGZAGOI-NVXWUHKLSA-N 2 0 319.518 2.839 20 0 DFADRP C[C@@H]1C[C@@H]([NH2+]CCN2CCC([NH+](C)C)CC2)c2ccccc21 ZINC000289343376 426631570 /nfs/dbraw/zinc/63/15/70/426631570.db2.gz XDJVZDQOZOGMST-DNVCBOLYSA-N 2 0 301.478 2.851 20 0 DFADRP Cc1nc(C)c([C@H](C)[NH2+]CCCN2C[C@@H](C)O[C@@H](C)C2)s1 ZINC000178482334 426637588 /nfs/dbraw/zinc/63/75/88/426637588.db2.gz DXNRZVJCCZRKCP-XQQFMLRXSA-N 2 0 311.495 2.910 20 0 DFADRP C[C@H]1C[C@@H](N[C@@H]2CC[NH+](C3CC3)C2)CC[N@@H+]1Cc1ccccc1 ZINC000178741396 426686459 /nfs/dbraw/zinc/68/64/59/426686459.db2.gz NTVQOUAGZQGSPI-YTQUADARSA-N 2 0 313.489 2.866 20 0 DFADRP C[N@@H+](C/C=C/c1ccc(F)c(F)c1)CCCN1CC[NH+](C)CC1 ZINC000289434993 426657280 /nfs/dbraw/zinc/65/72/80/426657280.db2.gz LHEHUFZBYQBDED-HWKANZROSA-N 2 0 323.431 2.547 20 0 DFADRP Cc1ccc(C[N@H+](C)CCCN2CC[NH+](C)CC2)cc1Cl ZINC000289444593 426658993 /nfs/dbraw/zinc/65/89/93/426658993.db2.gz MIRCWFUFUNXHSS-UHFFFAOYSA-N 2 0 309.885 2.718 20 0 DFADRP COc1cc2c(cc1F)[nH+]ccc2N1C[C@@H](C)[C@H]([NH+](C)C)C1 ZINC000280820199 426664025 /nfs/dbraw/zinc/66/40/25/426664025.db2.gz XXLWJWKVNPQSDK-BDJLRTHQSA-N 2 0 303.381 2.769 20 0 DFADRP CC[C@H]1[NH2+]CC[C@@H]1C(=O)NCc1ccccc1C[N@H+](C)C(C)C ZINC000289474656 426666054 /nfs/dbraw/zinc/66/60/54/426666054.db2.gz BEQRPMLHLARHRN-ZWKOTPCHSA-N 2 0 317.477 2.531 20 0 DFADRP C[C@H](CC(=O)NCCCC[NH+]1CCC(C)CC1)[C@@H]1CCC[NH2+]C1 ZINC000236696431 426677163 /nfs/dbraw/zinc/67/71/63/426677163.db2.gz GMHAPICGHNQQPS-QZTJIDSGSA-N 2 0 323.525 2.641 20 0 DFADRP CC(C)CC[N@@H+]1Cc2cccc(NC(=O)C3CC[NH2+]CC3)c2C1 ZINC000236720465 426679886 /nfs/dbraw/zinc/67/98/86/426679886.db2.gz XHMSYIJSPFIMLV-UHFFFAOYSA-N 2 0 315.461 2.986 20 0 DFADRP C[C@@H]1C[C@H](N[C@@H]2CC[NH+](C3CC3)C2)CC[N@@H+]1Cc1ccccc1 ZINC000178741369 426685938 /nfs/dbraw/zinc/68/59/38/426685938.db2.gz NTVQOUAGZQGSPI-BHIYHBOVSA-N 2 0 313.489 2.866 20 0 DFADRP Cc1c(Cl)cccc1NC(=O)CN1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000227189807 426626927 /nfs/dbraw/zinc/62/69/27/426626927.db2.gz HJAHDSUYVFBSNC-STQMWFEESA-N 2 0 309.841 2.646 20 0 DFADRP c1cn(CCC[NH+]2CCN(c3cc[nH+]c4ccccc43)CC2)cn1 ZINC000289325364 426630045 /nfs/dbraw/zinc/63/00/45/426630045.db2.gz KJUZNGKSCPTYAH-UHFFFAOYSA-N 2 0 321.428 2.644 20 0 DFADRP C[C@@H]([NH2+][C@H](CO)CC1CCC1)c1ccc(OCC[NH+](C)C)cc1 ZINC000280939831 426689529 /nfs/dbraw/zinc/68/95/29/426689529.db2.gz ISJYUGDBFLQYQW-QAPCUYQASA-N 2 0 320.477 2.829 20 0 DFADRP CC[NH+](CC)[C@H](C(=O)N1CCC([C@@H](C)[NH3+])CC1)c1ccccc1 ZINC000178824691 426703816 /nfs/dbraw/zinc/70/38/16/426703816.db2.gz RXMNCZXFVKWHQY-QAPCUYQASA-N 2 0 317.477 2.655 20 0 DFADRP CC[C@@H](C[NH2+]C1CCN(CCc2ccc(F)cc2)CC1)OC ZINC000290108401 426696112 /nfs/dbraw/zinc/69/61/12/426696112.db2.gz ILJMNLRDHJACSB-SFHVURJKSA-N 2 0 308.441 2.847 20 0 DFADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]C[C@]1(O)CCC[C@H](C(F)(F)F)C1 ZINC000188616854 426768262 /nfs/dbraw/zinc/76/82/62/426768262.db2.gz OOJJULGTVKSZSY-MRLBHPIUSA-N 2 0 322.415 2.788 20 0 DFADRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@H]1CCc2cc(F)c(OC)cc21 ZINC000281815789 426770115 /nfs/dbraw/zinc/77/01/15/426770115.db2.gz ZFZYSMBZQBCTAN-PBHICJAKSA-N 2 0 324.440 2.768 20 0 DFADRP CCO[C@@H](CC[NH+](C)C)C[NH2+][C@@H](c1cncc(F)c1)C1CC1 ZINC000281817806 426770566 /nfs/dbraw/zinc/77/05/66/426770566.db2.gz ZKFSVHSXBFUUBW-DLBZAZTESA-N 2 0 309.429 2.618 20 0 DFADRP C[C@@H]1CCCC[N@@H+]1CCC1CC[NH+]([C@H]2CCCCNC2=O)CC1 ZINC000245854427 426776018 /nfs/dbraw/zinc/77/60/18/426776018.db2.gz JTFUWGZYRICGLO-AEFFLSMTSA-N 2 0 321.509 2.632 20 0 DFADRP CCO[C@@H](CC[NH+](C)C)C[NH2+]Cc1nn(CC)c2ccccc12 ZINC000274477742 426776103 /nfs/dbraw/zinc/77/61/03/426776103.db2.gz XBNXWEQCJDYLEU-HNNXBMFYSA-N 2 0 318.465 2.503 20 0 DFADRP C[C@@H]1OCC[C@@H]1[NH2+][C@H]1[C@H](C)C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000245952534 426786797 /nfs/dbraw/zinc/78/67/97/426786797.db2.gz PRLRLUXOSZMLPW-JZFYCYHFSA-N 2 0 302.462 2.910 20 0 DFADRP c1cc2c(c([C@H]3CCC[N@H+]3CC3CC[NH2+]CC3)c1)OCCO2 ZINC000178971634 426727410 /nfs/dbraw/zinc/72/74/10/426727410.db2.gz HIAPTLLWZGAIOP-MRXNPFEDSA-N 2 0 302.418 2.594 20 0 DFADRP CC[N@H+](CC1CC[NH2+]CC1)CC1CCN(c2ccccn2)CC1 ZINC000178981644 426729749 /nfs/dbraw/zinc/72/97/49/426729749.db2.gz VIHUGHDURADKEN-UHFFFAOYSA-N 2 0 316.493 2.620 20 0 DFADRP C[C@@H](C(=O)NC[C@H](c1ccccc1)[NH+](C)C)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000245204086 426731418 /nfs/dbraw/zinc/73/14/18/426731418.db2.gz YODAJMXZMTXYQS-UIBIWLFHSA-N 2 0 317.477 2.667 20 0 DFADRP COc1c(O)cccc1C[N@@H+]1CC[C@H](C2CC[NH+](C)CC2)C1 ZINC000290297704 426734595 /nfs/dbraw/zinc/73/45/95/426734595.db2.gz AXXDVNWLTJBGFK-HNNXBMFYSA-N 2 0 304.434 2.565 20 0 DFADRP CCC[N@H+](CCC[NH+](C)C)Cc1ccc2c(c1)CCC(=O)N2C ZINC000290301388 426735867 /nfs/dbraw/zinc/73/58/67/426735867.db2.gz BHPXETSZNCDYOZ-UHFFFAOYSA-N 2 0 317.477 2.759 20 0 DFADRP CC[N@@H+]1CC[C@@H]([NH+](C)CCOc2ccccc2OC)[C@@H](C)C1 ZINC000245423359 426737411 /nfs/dbraw/zinc/73/74/11/426737411.db2.gz JJFLKQGPKYZPDT-JKSUJKDBSA-N 2 0 306.450 2.736 20 0 DFADRP CC[N@@H+]1CC[C@H](N(C)CC(=O)N(C)[C@@H](C)CC(C)C)[C@@H](C)C1 ZINC000245436161 426739014 /nfs/dbraw/zinc/73/90/14/426739014.db2.gz QTZHSXOIGQQNNQ-ULQDDVLXSA-N 2 0 311.514 2.542 20 0 DFADRP CC[NH+](CC)[C@@H](CNC(=O)[C@@H]1CCC[NH2+][C@@H]1C)c1ccccc1 ZINC000290334428 426743842 /nfs/dbraw/zinc/74/38/42/426743842.db2.gz PCWRJMWYWHFBIG-NXHRZFHOSA-N 2 0 317.477 2.574 20 0 DFADRP C([NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1)[C@H]1COC2(CCCCCC2)O1 ZINC000245556311 426751047 /nfs/dbraw/zinc/75/10/47/426751047.db2.gz DFOVEILDPBBDKX-IKGGRYGDSA-N 2 0 308.466 2.669 20 0 DFADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]C[C@H]1COC2(CCCCCC2)O1 ZINC000245563465 426752727 /nfs/dbraw/zinc/75/27/27/426752727.db2.gz NAYABOAAYANNEZ-NCOADZHNSA-N 2 0 310.482 2.771 20 0 DFADRP CC(C)[NH+]1CCC([NH2+]CC2CCN(CC(F)(F)F)CC2)CC1 ZINC000188519448 426759328 /nfs/dbraw/zinc/75/93/28/426759328.db2.gz KMMDAMANCLESQD-UHFFFAOYSA-N 2 0 321.431 2.723 20 0 DFADRP Cn1cncc1C[NH2+][C@H]1c2ccccc2CC[C@H]1n1ccnc1 ZINC000290419934 426760659 /nfs/dbraw/zinc/76/06/59/426760659.db2.gz KQCFEOARTKRSOL-MSOLQXFVSA-N 2 0 307.401 2.635 20 0 DFADRP Cn1cc(-c2ccc(C[NH2+]CC3(C)CC[NH+](C)CC3)s2)cn1 ZINC000282228288 426857260 /nfs/dbraw/zinc/85/72/60/426857260.db2.gz KXJZVIATJAQODI-UHFFFAOYSA-N 2 0 318.490 2.970 20 0 DFADRP CCC(C)(C)[NH2+][C@H](C)C(=O)NC[C@H](c1ccsc1)[NH+](C)C ZINC000274649734 426811051 /nfs/dbraw/zinc/81/10/51/426811051.db2.gz GELYTESNYXUDND-TZMCWYRMSA-N 2 0 311.495 2.634 20 0 DFADRP CCC(C)(C)[NH2+][C@@H](C)C(=O)NCC[N@H+](C)Cc1ccc(F)cc1 ZINC000274682594 426816637 /nfs/dbraw/zinc/81/66/37/426816637.db2.gz JXHYBTWDPFPAEZ-AWEZNQCLSA-N 2 0 323.456 2.540 20 0 DFADRP CC[C@H](C)[C@@H]([NH3+])C(=O)NC1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC000246294282 426819712 /nfs/dbraw/zinc/81/97/12/426819712.db2.gz NMGHJRZHYMYACZ-HDMKZQKVSA-N 2 0 317.477 2.702 20 0 DFADRP CC[N@@H+]1CC[C@H]([NH2+]CCCc2cc(OC)ccc2OC)[C@@H](C)C1 ZINC000246358838 426822595 /nfs/dbraw/zinc/82/25/95/426822595.db2.gz IHGZHAGVMNETSQ-YJBOKZPZSA-N 2 0 320.477 2.956 20 0 DFADRP CCC[N@H+](C)C[C@H]1CC[NH+](CCc2nc3ccccc3n2C)C1 ZINC000267112698 426824839 /nfs/dbraw/zinc/82/48/39/426824839.db2.gz XWIVJQIBCYJMQU-MRXNPFEDSA-N 2 0 314.477 2.780 20 0 DFADRP c1cc(N2CCN(CCC[NH2+][C@@H]3CCC34CCC4)CC2)cc[nH+]1 ZINC000282086963 426826553 /nfs/dbraw/zinc/82/65/53/426826553.db2.gz HYPXQPPETFWTTL-GOSISDBHSA-N 2 0 314.477 2.516 20 0 DFADRP C[C@H]([NH2+]CC1=CC[N@H+](C)CC1)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000274750867 426830538 /nfs/dbraw/zinc/83/05/38/426830538.db2.gz HKHWQZYUMGCHFP-PXNSSMCTSA-N 3 0 313.489 2.749 20 0 DFADRP CC[C@H]([NH2+]C[C@@H](C)N1CC[NH+](CC)CC1)c1ccccc1F ZINC000180119536 426837704 /nfs/dbraw/zinc/83/77/04/426837704.db2.gz IJSNIESCQVMPMZ-QAPCUYQASA-N 2 0 307.457 2.892 20 0 DFADRP C[C@@H]1CCCC[N@@H+]1Cc1ccc(NC(=O)[C@H]2CC[NH2+]C2)cc1 ZINC000246501913 426837884 /nfs/dbraw/zinc/83/78/84/426837884.db2.gz QAYNOXULCGSAAW-ZBFHGGJFSA-N 2 0 301.434 2.609 20 0 DFADRP CC[NH+]1CCN([C@H]2CC[N@H+](Cc3ccc(Cl)c(C)c3)C2)CC1 ZINC000180430103 426858076 /nfs/dbraw/zinc/85/80/76/426858076.db2.gz JWDWGQQEYJTBLB-KRWDZBQOSA-N 2 0 321.896 2.860 20 0 DFADRP CCC(C)(C)[NH2+][C@H](C)C(=O)N[C@@H](C)[C@H](c1ccccc1)[NH+](C)C ZINC000274805362 426839147 /nfs/dbraw/zinc/83/91/47/426839147.db2.gz UCEJVTKBWKIALE-ZMSDIMECSA-N 2 0 319.493 2.961 20 0 DFADRP CCC[C@@H]([NH2+]CCN1CC[N@H+](C)C(C)(C)C1)c1cccnc1 ZINC000282156115 426842044 /nfs/dbraw/zinc/84/20/44/426842044.db2.gz DBHUOQZIDWVGHJ-QGZVFWFLSA-N 2 0 304.482 2.538 20 0 DFADRP Cn1cc(-c2ccc(C[NH2+]CC3=CC[N@H+](C)CC3)s2)cn1 ZINC000282156087 426842616 /nfs/dbraw/zinc/84/26/16/426842616.db2.gz CJBJGTUQLDRNAS-UHFFFAOYSA-N 2 0 302.447 2.500 20 0 DFADRP C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC000246543906 426842866 /nfs/dbraw/zinc/84/28/66/426842866.db2.gz YDZVERHYMSJHFF-LZLYRXPVSA-N 2 0 321.509 2.630 20 0 DFADRP C[N@H+](CCC[NH2+]Cc1c[nH]c2nccnc12)Cc1ccccc1 ZINC000290825304 426848224 /nfs/dbraw/zinc/84/82/24/426848224.db2.gz HJHWFCQSFKXSGZ-UHFFFAOYSA-N 2 0 309.417 2.570 20 0 DFADRP COCC[C@H]1CCC[C@@H]1[NH2+]C1CCN(Cc2ccncc2)CC1 ZINC000282189651 426848440 /nfs/dbraw/zinc/84/84/40/426848440.db2.gz NFNOXKGCNUFJNL-MJGOQNOKSA-N 2 0 317.477 2.841 20 0 DFADRP C[N@@H+]1CCN(CC[NH2+]Cc2ccc(Cl)cc2F)CC1(C)C ZINC000282190321 426848510 /nfs/dbraw/zinc/84/85/10/426848510.db2.gz BXPYWYFFDGFGAI-UHFFFAOYSA-N 2 0 313.848 2.595 20 0 DFADRP CCCC[N@H+](C)C[C@H](C)NC(=O)c1ccc(-n2ccnc2)cc1 ZINC000290837587 426851286 /nfs/dbraw/zinc/85/12/86/426851286.db2.gz HAELGQYNUREIDA-HNNXBMFYSA-N 2 0 314.433 2.723 20 0 DFADRP Cc1cc([C@H](C)NCCC[N@@H+]2CCc3ccccc3C2)nn1C ZINC000282210287 426853194 /nfs/dbraw/zinc/85/31/94/426853194.db2.gz OKGMTBZGNXAEHV-INIZCTEOSA-N 2 0 312.461 2.828 20 0 DFADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NCC[C@@H]1CCC[NH+]1C ZINC000274872215 426855938 /nfs/dbraw/zinc/85/59/38/426855938.db2.gz XOURHFOZQOASSY-YZGWKJHDSA-N 2 0 315.505 2.971 20 0 DFADRP O[C@H](C[NH+]1CCC[C@H]2CCC[C@H]21)C[N@@H+]1CCC[C@@H]2CCC[C@@H]21 ZINC000246016535 426790620 /nfs/dbraw/zinc/79/06/20/426790620.db2.gz UKVPWJUNWRTQRK-BSHDOZJQSA-N 2 0 306.494 2.876 20 0 DFADRP C[C@H](C[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1)c1nc(-c2ccccc2)no1 ZINC000179478779 426792891 /nfs/dbraw/zinc/79/28/91/426792891.db2.gz ODYGXZAEVYLAML-YCPHGPKFSA-N 2 0 314.433 2.912 20 0 DFADRP CCC[N@H+](CCC[NH+](C)C)Cc1ccccc1N1CCOCC1 ZINC000290559578 426793065 /nfs/dbraw/zinc/79/30/65/426793065.db2.gz SHULLNSFVDCNGL-UHFFFAOYSA-N 2 0 319.493 2.687 20 0 DFADRP C[C@@H](CCN1CC[NH+](C)CC1)[NH2+]C1CC(c2cccc(F)c2)C1 ZINC000274583078 426795141 /nfs/dbraw/zinc/79/51/41/426795141.db2.gz CTBFKTUFVGOUJX-DMKPSLHHSA-N 2 0 319.468 2.687 20 0 DFADRP CC[C@](C)(O)C[N@H+]1C[C@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1 ZINC000310024968 426919081 /nfs/dbraw/zinc/91/90/81/426919081.db2.gz UFRHMTBWXGVTOG-QRVBRYPASA-N 2 0 302.462 2.601 20 0 DFADRP CN1CCC([N@H+](CCO)[C@@H]2CC[C@](C)(c3ccccc3)C2)CC1 ZINC000189502514 426870170 /nfs/dbraw/zinc/87/01/70/426870170.db2.gz HHAJNPGACOIQND-UXHICEINSA-N 2 0 316.489 2.885 20 0 DFADRP C[C@@H]([NH2+]CCN1CC[N@H+](C)C(C)(C)C1)c1cc(F)ccc1F ZINC000282333742 426885103 /nfs/dbraw/zinc/88/51/03/426885103.db2.gz OHQUFAJLPPSBSW-CYBMUJFWSA-N 2 0 311.420 2.641 20 0 DFADRP CC[C@H](Cc1ccc(C)cc1)[NH2+]CCN1CC[N@H+](C)C(C)(C)C1 ZINC000282345321 426887140 /nfs/dbraw/zinc/88/71/40/426887140.db2.gz PAFAQLGWXYHTAN-LJQANCHMSA-N 2 0 317.521 2.932 20 0 DFADRP CC[N@@H+]1CC[C@@H](C[NH2+][C@H](C)c2cccc(N3CCOC3=O)c2)C1 ZINC000247000332 426888547 /nfs/dbraw/zinc/88/85/47/426888547.db2.gz KRDWPMVUCBTEFO-CABCVRRESA-N 2 0 317.433 2.636 20 0 DFADRP C[C@@H](C[NH2+][C@H]1c2cccc(F)c2CC[C@H]1C)N1CC[NH+](C)CC1 ZINC000246997068 426889905 /nfs/dbraw/zinc/88/99/05/426889905.db2.gz LGQMDDPQLJBXPB-ZRGWGRIASA-N 2 0 319.468 2.675 20 0 DFADRP Clc1cccc(CC[NH2+]C2CC[NH+](C[C@@H]3CCOC3)CC2)c1 ZINC000291480811 426893162 /nfs/dbraw/zinc/89/31/62/426893162.db2.gz QWVKWJKDVBCTGU-INIZCTEOSA-N 2 0 322.880 2.973 20 0 DFADRP C[C@@H](CC(C)(C)C)[NH2+]Cc1cccnc1N1CC[NH+](C)CC1 ZINC000295297277 426896947 /nfs/dbraw/zinc/89/69/47/426896947.db2.gz XIZJCFXAOHUISB-HNNXBMFYSA-N 2 0 304.482 2.748 20 0 DFADRP C[C@H]([NH2+][C@H]1CC[C@H](CO)CC1)c1ccc(OCC[NH+](C)C)cc1 ZINC000247059505 426897175 /nfs/dbraw/zinc/89/71/75/426897175.db2.gz MMHPGVMYPWWOBN-BQFCYCMXSA-N 2 0 320.477 2.829 20 0 DFADRP C[C@@H]1C[NH+](Cc2ccccc2C[NH2+][C@H]2CCSC2)C[C@@H](C)O1 ZINC000247111990 426904112 /nfs/dbraw/zinc/90/41/12/426904112.db2.gz TVYVRQXPUMGAGP-RKVPGOIHSA-N 2 0 320.502 2.891 20 0 DFADRP Cc1cccc(CCC[NH+]2CCC(C[NH+]3CCOCC3)CC2)c1 ZINC000180972060 426904355 /nfs/dbraw/zinc/90/43/55/426904355.db2.gz GRPCPSKRBWAZIN-UHFFFAOYSA-N 2 0 316.489 2.972 20 0 DFADRP C[C@@H](c1cccnc1)N1CCN(CC[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000268071359 426906757 /nfs/dbraw/zinc/90/67/57/426906757.db2.gz CKZXMHDDMYXICD-HKUYNNGSSA-N 2 0 316.493 2.635 20 0 DFADRP C[C@@H]1C[C@@H]([NH2+]C[C@@H](c2ccccc2)C(C)(C)CO)CC[N@@H+]1C ZINC000181555538 426963595 /nfs/dbraw/zinc/96/35/95/426963595.db2.gz AFKIHRLDPSCWNF-NJAFHUGGSA-N 2 0 304.478 2.861 20 0 DFADRP CC[C@H]([NH2+]CCCC[N@@H+]1CCC[C@H]1CO)c1ccc(OC)cc1 ZINC000247932071 426967303 /nfs/dbraw/zinc/96/73/03/426967303.db2.gz CCLLFEFSDDULEJ-HKUYNNGSSA-N 2 0 320.477 2.973 20 0 DFADRP C[C@@H](C[C@H]1CCCCC[NH2+]1)[NH2+]C1CCN(C(=O)C(C)(C)C)CC1 ZINC000321967265 426969356 /nfs/dbraw/zinc/96/93/56/426969356.db2.gz NPYVBLHXVGVOEL-DOTOQJQBSA-N 2 0 323.525 2.924 20 0 DFADRP C[N@@H+]1CCC[C@@H]2C[NH+](C[C@@H](O)c3ccc(Cl)cc3)CC[C@H]21 ZINC000247971073 426971634 /nfs/dbraw/zinc/97/16/34/426971634.db2.gz JKORVIJPGZBFLN-DJIMGWMZSA-N 2 0 308.853 2.790 20 0 DFADRP COC(=O)c1ccc(CN(C)C2CC[NH+](C(C)C)CC2)s1 ZINC000268182972 426938453 /nfs/dbraw/zinc/93/84/53/426938453.db2.gz TZNDGIHWGXHLBB-UHFFFAOYSA-N 2 0 310.463 2.839 20 0 DFADRP CC[NH+](CC)[C@H](CNC(=O)CCC(C)(C)[NH3+])c1ccccc1 ZINC000315936519 426941029 /nfs/dbraw/zinc/94/10/29/426941029.db2.gz IHYHLTKNGOZAMM-MRXNPFEDSA-N 2 0 305.466 2.703 20 0 DFADRP C[NH2+]CC1CC[NH+](Cc2ncc(-c3ccc(F)cc3)o2)CC1 ZINC000316201160 426945351 /nfs/dbraw/zinc/94/53/51/426945351.db2.gz XBBANDCVJWKEEX-UHFFFAOYSA-N 2 0 303.381 2.912 20 0 DFADRP [NH3+]C1(C(=O)Nc2ccc(C[NH+]3CCCCCC3)cc2)CCC1 ZINC000296047829 427057571 /nfs/dbraw/zinc/05/75/71/427057571.db2.gz OJBLFEADMHXQPH-UHFFFAOYSA-N 2 0 301.434 2.883 20 0 DFADRP CCC[NH+](CCC)CCCNC(=O)c1ccc2c[nH+]cn2c1 ZINC000283321907 426995674 /nfs/dbraw/zinc/99/56/74/426995674.db2.gz FPRQUPRVLCSJOI-UHFFFAOYSA-N 2 0 302.422 2.576 20 0 DFADRP COc1ccc(C[C@@H](C)C[N@@H+]2CC[C@@H](C[NH+](C)C)C2)cc1F ZINC000248901364 427061830 /nfs/dbraw/zinc/06/18/30/427061830.db2.gz XAMPAJWHTRDVGC-ZBFHGGJFSA-N 2 0 308.441 2.896 20 0 DFADRP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)CC1(C[NH3+])CCCCC1 ZINC000248654753 427029476 /nfs/dbraw/zinc/02/94/76/427029476.db2.gz VLJAMUWNCALMPD-CVEARBPZSA-N 2 0 309.498 2.522 20 0 DFADRP Cc1cc(N2CC[N@@H+](C[C@@H](C)O)C[C@H]2C)c2cc(F)ccc2[nH+]1 ZINC000248661480 427030433 /nfs/dbraw/zinc/03/04/33/427030433.db2.gz FOCMSYFSWDEGML-ZIAGYGMSSA-N 2 0 317.408 2.574 20 0 DFADRP CC[C@H]1CN(c2cc[nH+]c3ccc(C)cc32)CC[N@@H+]1C[C@H](C)O ZINC000248708250 427035058 /nfs/dbraw/zinc/03/50/58/427035058.db2.gz BCQILKNKXMDCTI-HOTGVXAUSA-N 2 0 313.445 2.825 20 0 DFADRP C[C@@H]([NH2+]Cc1ccccc1C[N@@H+]1CCC[C@@H]1CO)C1(C)CC1 ZINC000182239227 427035940 /nfs/dbraw/zinc/03/59/40/427035940.db2.gz TUMPCOGKVYRKCF-CRAIPNDOSA-N 2 0 302.462 2.922 20 0 DFADRP C[C@@H](NCc1ccccc1C[N@@H+]1CC[C@H](O)C1)c1nccs1 ZINC000182260166 427042613 /nfs/dbraw/zinc/04/26/13/427042613.db2.gz MITNZNRXARGAIL-CJNGLKHVSA-N 2 0 317.458 2.561 20 0 DFADRP CC[NH+]1CCN(CCC[NH2+]Cc2ccc3c(c2)CCCC3)CC1 ZINC000292041978 427065494 /nfs/dbraw/zinc/06/54/94/427065494.db2.gz ZLUUFAVISUJAQY-UHFFFAOYSA-N 2 0 315.505 2.683 20 0 DFADRP CC(C)[C@@H](CO)[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000248993881 427074189 /nfs/dbraw/zinc/07/41/89/427074189.db2.gz OICBIZRBJWTKMW-AKHDSKFASA-N 2 0 302.462 2.789 20 0 DFADRP C[NH+]1CCC(Oc2ccc(C[NH2+]Cc3ccncc3)cc2)CC1 ZINC000283829536 427084818 /nfs/dbraw/zinc/08/48/18/427084818.db2.gz FCGUZECKKFKVLX-UHFFFAOYSA-N 2 0 311.429 2.844 20 0 DFADRP CCCC[N@H+](CC)Cc1cccc(CNC(=O)[C@@H](C)[C@H](C)[NH3+])c1 ZINC000249094781 427086324 /nfs/dbraw/zinc/08/63/24/427086324.db2.gz TXVWVDRALUEXFB-HOTGVXAUSA-N 2 0 319.493 2.908 20 0 DFADRP CC1=CC[C@@H]([NH2+]CCCN2CCN(c3cc[nH+]cc3)CC2)CC1 ZINC000283863706 427088986 /nfs/dbraw/zinc/08/89/86/427088986.db2.gz BQQDQQGPOSHJHE-GOSISDBHSA-N 2 0 314.477 2.682 20 0 DFADRP C[C@@H]([NH3+])[C@@H](C)C(=O)NCc1ccccc1C[N@@H+]1CCC[C@@H](C)C1 ZINC000249137509 427092784 /nfs/dbraw/zinc/09/27/84/427092784.db2.gz YYEWCFHKQHCRAP-BZUAXINKSA-N 2 0 317.477 2.518 20 0 DFADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+][C@H]1CCN(Cc2ccccc2)C1 ZINC000268701081 427092871 /nfs/dbraw/zinc/09/28/71/427092871.db2.gz FPJVMZIHNPHZHE-FPAYPSAMSA-N 2 0 301.478 2.579 20 0 DFADRP COC[C@@H]([NH2+]CCCC[N@@H+]1CCCC[C@@H]1C)C1CCOCC1 ZINC000249206359 427099276 /nfs/dbraw/zinc/09/92/76/427099276.db2.gz VYUOEOFGDPPIPU-FUHWJXTLSA-N 2 0 312.498 2.672 20 0 DFADRP C[C@@H]1C[NH+](CCC2CC[NH+](CC[C@H]3CCCO3)CC2)C[C@@H](C)O1 ZINC000249274609 427102379 /nfs/dbraw/zinc/10/23/79/427102379.db2.gz JTFUIEIKABOBRH-ZHALLVOQSA-N 2 0 324.509 2.767 20 0 DFADRP CC(C)[NH+]1CCN(CCC[N@@H+]2C[C@@H](C)[C@@H]3CCCC[C@H]32)CC1 ZINC000249297987 427103160 /nfs/dbraw/zinc/10/31/60/427103160.db2.gz RMSOVXWODOKRKQ-CEXWTWQISA-N 2 0 307.526 2.913 20 0 DFADRP C[C@H](C(=O)N1CC[NH+](CCC(C)(C)C)CC1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000338046935 427112252 /nfs/dbraw/zinc/11/22/52/427112252.db2.gz MTRHFACYQPKOSO-IXDOHACOSA-N 2 0 323.525 2.828 20 0 DFADRP CC(=O)Nc1ccc(C[NH2+]CC(C)(C)C[NH+]2CCCC2)cc1 ZINC000276611529 427115832 /nfs/dbraw/zinc/11/58/32/427115832.db2.gz FSBWMXRJGCIZIC-UHFFFAOYSA-N 2 0 303.450 2.857 20 0 DFADRP COc1ccc([C@H](C[NH+](C)C)NCc2cn3ccccc3n2)cc1 ZINC000284022171 427116636 /nfs/dbraw/zinc/11/66/36/427116636.db2.gz NTCJOVVXLPGBGH-SFHVURJKSA-N 2 0 324.428 2.735 20 0 DFADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@](C)(Cc2ccccc2)[C@@H](C)O)[C@H](C)C1 ZINC000249711710 427138395 /nfs/dbraw/zinc/13/83/95/427138395.db2.gz YORGDJFQHGSRJE-JYBIWHBTSA-N 2 0 318.505 2.936 20 0 DFADRP C[C@@H](c1ccc([S@](C)=O)cc1)[N@H+](C)CCCn1ccnc1 ZINC000182812439 427149121 /nfs/dbraw/zinc/14/91/21/427149121.db2.gz FSSIMIGJXHNJRY-QKKBWIMNSA-N 2 0 305.447 2.704 20 0 DFADRP C[C@H](C[NH2+][C@H]1CCCc2cc(F)ccc21)CN1CC[NH+](C)CC1 ZINC000182823111 427153399 /nfs/dbraw/zinc/15/33/99/427153399.db2.gz QLSRIZZIZBHOTF-BEFAXECRSA-N 2 0 319.468 2.676 20 0 DFADRP C[C@@H]([NH2+]CC1(C)OCCCO1)c1ccc(-n2ccnc2)cc1 ZINC000190652822 427153699 /nfs/dbraw/zinc/15/36/99/427153699.db2.gz NWENOQJECNDNSF-CQSZACIVSA-N 2 0 301.390 2.676 20 0 DFADRP CCC[NH+]1CCC(N(C)CC(=O)Nc2ccc(CC)cc2)CC1 ZINC000109787283 271010131 /nfs/dbraw/zinc/01/01/31/271010131.db2.gz CASDETWMCVQYEU-UHFFFAOYSA-N 2 0 317.477 2.994 20 0 DFADRP C[C@H](C[NH2+][C@H](C)c1cc2ccccc2o1)CN1CC[NH+](C)CC1 ZINC000121065596 271016986 /nfs/dbraw/zinc/01/69/86/271016986.db2.gz JDZPFRMNJBAFHE-HZPDHXFCSA-N 2 0 315.461 2.967 20 0 DFADRP CC1CC[NH+](CCN2CC[NH+](CCc3ccccc3)CC2)CC1 ZINC000152488069 271044883 /nfs/dbraw/zinc/04/48/83/271044883.db2.gz STPGWOZJOKUNJL-UHFFFAOYSA-N 2 0 315.505 2.579 20 0 DFADRP COc1ccc2c(c1)C[C@H]([NH2+]C[C@H](C)C[NH+]1CCCC1)CC2 ZINC000162602143 271085122 /nfs/dbraw/zinc/08/51/22/271085122.db2.gz CIEQWQVUBWLBIU-MAUKXSAKSA-N 2 0 302.462 2.874 20 0 DFADRP CC1CC[NH+]([C@H](CNC(=O)C(C)(C)C[NH3+])c2cccs2)CC1 ZINC000163575814 271091234 /nfs/dbraw/zinc/09/12/34/271091234.db2.gz DQYNWGWTZAUOPB-CQSZACIVSA-N 2 0 323.506 2.622 20 0 DFADRP CCC[N@H+](CC)Cc1ccc(C(=O)N[C@@H]2CCC[C@@H]2C[NH3+])cc1 ZINC000269296412 427162629 /nfs/dbraw/zinc/16/26/29/427162629.db2.gz WBVRIMHTEXSSFX-QZTJIDSGSA-N 2 0 317.477 2.776 20 0 DFADRP CC(C)[NH+](CCCNC(=O)[C@H](C)[N@H+]1[C@H](C)CC[C@@H]1C)C(C)C ZINC000174097672 271127308 /nfs/dbraw/zinc/12/73/08/271127308.db2.gz CUXOCBVJEXLEFE-BBWFWOEESA-N 2 0 311.514 2.873 20 0 DFADRP CC[N@H+](C)Cc1cccc(C[NH2+][C@H](C)C(C)(C)n2cncn2)c1 ZINC000284252825 427166767 /nfs/dbraw/zinc/16/67/67/427166767.db2.gz VTSVDFPIYZVNKD-OAHLLOKOSA-N 2 0 315.465 2.643 20 0 DFADRP C[C@H]1CCCC[N@@H+]1CCC[NH2+]CCCNC(=O)OC(C)(C)C ZINC000227403589 271236014 /nfs/dbraw/zinc/23/60/14/271236014.db2.gz PVFOVDNZHLCHGH-HNNXBMFYSA-N 2 0 313.486 2.755 20 0 DFADRP C[C@H]1CCCC[N@@H+]1Cc1ccc(NC(=O)C(C)(C)C[NH3+])cc1 ZINC000237518891 271249401 /nfs/dbraw/zinc/24/94/01/271249401.db2.gz DKZYHZVTMVQUDT-AWEZNQCLSA-N 2 0 303.450 2.984 20 0 DFADRP CCC[C@](C)([NH3+])C(=O)NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000262314847 271271125 /nfs/dbraw/zinc/27/11/25/271271125.db2.gz PACFBRGSHPANPV-CJNGLKHVSA-N 2 0 309.479 2.519 20 0 DFADRP CCC[NH+](CCC)CCCC(=O)NCc1cn2ccccc2n1 ZINC000264386035 271273603 /nfs/dbraw/zinc/27/36/03/271273603.db2.gz KOTGSDIBSVTMRI-UHFFFAOYSA-N 2 0 316.449 2.853 20 0 DFADRP C[C@@H](CCSc1ccccc1)[NH+]1CCC([N@H+](C)CCO)CC1 ZINC000269319919 427167627 /nfs/dbraw/zinc/16/76/27/427167627.db2.gz LZIXVWVFOFNKFB-INIZCTEOSA-N 2 0 322.518 2.946 20 0 DFADRP CCC[NH+](CCC)CCCC(=O)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000303313423 271365464 /nfs/dbraw/zinc/36/54/64/271365464.db2.gz PNTHVLJPSJPGHG-QGZVFWFLSA-N 2 0 309.498 2.585 20 0 DFADRP [NH3+][C@@H]1CCC[C@H]([NH2+]C2CCC3(CC2)c2ccccc2NC3=O)C1 ZINC000333343543 271371452 /nfs/dbraw/zinc/37/14/52/271371452.db2.gz YQBKPTMPUQULAC-XNDRKVBMSA-N 2 0 313.445 2.679 20 0 DFADRP [NH3+]C1(c2noc([C@@H]3CCC[N@@H+]3C3CCOCC3)n2)CCCCC1 ZINC000333642674 271383170 /nfs/dbraw/zinc/38/31/70/271383170.db2.gz XOZAPGCWBNQAOA-AWEZNQCLSA-N 2 0 320.437 2.504 20 0 DFADRP C[C@H]1C[C@H](CC[NH2+]Cc2cnn(C)c2)C[N@@H+]1Cc1ccccc1 ZINC000338201056 427189030 /nfs/dbraw/zinc/18/90/30/427189030.db2.gz YFASCWTWAFDBIR-WMZOPIPTSA-N 2 0 312.461 2.810 20 0 DFADRP O[C@H](Cc1ccc(F)cc1)C[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000292767223 427199845 /nfs/dbraw/zinc/19/98/45/427199845.db2.gz JIYOLOLUJZRZOI-PKOBYXMFSA-N 2 0 320.452 2.537 20 0 DFADRP C[N@H+](Cc1ccccc1)C1CCC([NH2+][C@@H]2C=C[C@H](CO)C2)CC1 ZINC000285176080 427208457 /nfs/dbraw/zinc/20/84/57/427208457.db2.gz NCCMLPAYPXOARK-LHQJTOJGSA-N 2 0 314.473 2.956 20 0 DFADRP C[C@H](CC(C)(C)C)[NH2+]Cc1ccnc(N2CC[NH+](C)CC2)c1 ZINC000296529813 427213697 /nfs/dbraw/zinc/21/36/97/427213697.db2.gz SMSOOSJMHMGVKP-OAHLLOKOSA-N 2 0 304.482 2.748 20 0 DFADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]CCCCNC(=O)OC(C)(C)C ZINC000183174594 427215530 /nfs/dbraw/zinc/21/55/30/427215530.db2.gz YWORHWFGJMLSMF-KFWWJZLASA-N 2 0 313.486 2.610 20 0 DFADRP CC[NH+](CC)CC1CC[NH+](CCCO[C@H]2CCCCO2)CC1 ZINC000338261035 427221478 /nfs/dbraw/zinc/22/14/78/427221478.db2.gz HRDFEJAMPSDOFN-SFHVURJKSA-N 2 0 312.498 2.974 20 0 DFADRP Nc1cc(CN2CC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2)ccn1 ZINC000285415547 427227795 /nfs/dbraw/zinc/22/77/95/427227795.db2.gz DHJLDHSCXPDSIY-HXUWFJFHSA-N 2 0 322.456 2.762 20 0 DFADRP CCC[N@H+](CC)Cc1ccc(C(=O)N[C@@H]2CCC[NH2+][C@H]2C)cc1 ZINC000277517510 427227838 /nfs/dbraw/zinc/22/78/38/427227838.db2.gz RZJWGFYHRQZCBF-MAUKXSAKSA-N 2 0 317.477 2.789 20 0 DFADRP Cc1ccncc1C[NH+]1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000269602683 427230387 /nfs/dbraw/zinc/23/03/87/427230387.db2.gz WLCSJDZLZVTROQ-CALCHBBNSA-N 2 0 317.477 2.711 20 0 DFADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]CCSC(C)C)[C@H](C)C1 ZINC000338287226 427235200 /nfs/dbraw/zinc/23/52/00/427235200.db2.gz HLOUWIYDPPZCRY-CVEARBPZSA-N 2 0 302.528 2.855 20 0 DFADRP COCC[N@H+](C)CCCC1CC[NH+](C[C@H]2CC[C@H](C)O2)CC1 ZINC000191028986 427236596 /nfs/dbraw/zinc/23/65/96/427236596.db2.gz OBFSGRNSAAKTIS-FUHWJXTLSA-N 2 0 312.498 2.624 20 0 DFADRP C[N@@H+](Cc1ccc(-n2ccnc2)cc1)C[C@H](O)Cc1ccccc1 ZINC000293183106 427238077 /nfs/dbraw/zinc/23/80/77/427238077.db2.gz DRFXUCUIZXMJLW-HXUWFJFHSA-N 2 0 321.424 2.908 20 0 DFADRP COc1ccc(C[NH+]2CCC(C[NH2+]CC3(C)COC3)CC2)cc1 ZINC000285465440 427240882 /nfs/dbraw/zinc/24/08/82/427240882.db2.gz NHMAWZRNUGVVQS-UHFFFAOYSA-N 2 0 318.461 2.533 20 0 DFADRP FC(F)COCCN1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000285478107 427243358 /nfs/dbraw/zinc/24/33/58/427243358.db2.gz HXMZTIVMVGSJLM-SFHVURJKSA-N 2 0 324.415 2.866 20 0 DFADRP C(CO[C@@H]1CCCCO1)C[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000338314198 427255028 /nfs/dbraw/zinc/25/50/28/427255028.db2.gz IKUZNTIVMNGUTF-ZWKOTPCHSA-N 2 0 310.482 2.728 20 0 DFADRP CCC[N@H+](CC)Cc1ccc(C(=O)N[C@H]2CC[NH2+]C[C@H]2C)cc1 ZINC000277597402 427255649 /nfs/dbraw/zinc/25/56/49/427255649.db2.gz POMGZDYFDWBSIM-QAPCUYQASA-N 2 0 317.477 2.646 20 0 DFADRP CC(C)[NH2+]CCN1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000293248161 427258135 /nfs/dbraw/zinc/25/81/35/427258135.db2.gz IBCLAYKGTDGSRP-UHFFFAOYSA-N 2 0 315.505 2.973 20 0 DFADRP CC[NH+](CC)Cc1ccc(C(=O)N[C@@H](C)C[NH+](CC)CC)cc1 ZINC000338171692 271524837 /nfs/dbraw/zinc/52/48/37/271524837.db2.gz NPQZUGBMMRCEBY-INIZCTEOSA-N 2 0 319.493 2.989 20 0 DFADRP c1cc(N2CCN(CCC[NH2+]C[C@H]3CC=CCC3)CC2)cc[nH+]1 ZINC000269766749 427272854 /nfs/dbraw/zinc/27/28/54/427272854.db2.gz MYLKCXLSJVSAID-SFHVURJKSA-N 2 0 314.477 2.540 20 0 DFADRP C[C@@H](C1CCCCC1)[N@H+](C)CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000338357190 427275682 /nfs/dbraw/zinc/27/56/82/427275682.db2.gz NREIUZZHWFBWEZ-HNNXBMFYSA-N 2 0 321.509 2.630 20 0 DFADRP COC(=O)CCC[NH2+][C@@H](C)c1ccc(-n2ccnc2C)cc1 ZINC000183678091 427314909 /nfs/dbraw/zinc/31/49/09/427314909.db2.gz NFTMEKXAQVRQJS-ZDUSSCGKSA-N 2 0 301.390 2.785 20 0 DFADRP C[C@@H](CCCC[NH3+])NC(=O)c1cccc(C[NH+]2CCCC2)c1 ZINC000293413774 427317826 /nfs/dbraw/zinc/31/78/26/427317826.db2.gz NGVRIIVCTYNRNX-HNNXBMFYSA-N 2 0 303.450 2.530 20 0 DFADRP CC[C@H](N[C@H](C)c1ccc(-n2ccnc2C)cc1)C(=O)OC ZINC000183684587 427319428 /nfs/dbraw/zinc/31/94/28/427319428.db2.gz DAVKHCXWWSHCSM-WBMJQRKESA-N 2 0 301.390 2.783 20 0 DFADRP CCO[C@@H](CC[NH+](C)C)C[NH2+][C@@H](C)c1cnn(C(C)C)c1C ZINC000191333948 427322941 /nfs/dbraw/zinc/32/29/41/427322941.db2.gz OJZOMVLAVPGYQB-HOCLYGCPSA-N 2 0 310.486 2.780 20 0 DFADRP C[C@H](CN[C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C)C[NH+](C)C ZINC000293351969 427293808 /nfs/dbraw/zinc/29/38/08/427293808.db2.gz HACBNOZELXMTAF-ZIFCJYIRSA-N 2 0 303.494 2.684 20 0 DFADRP Cc1cnn(C)c1CNCC(C)(C)[NH2+][C@H](C)c1ccccc1 ZINC000285634742 427294689 /nfs/dbraw/zinc/29/46/89/427294689.db2.gz AKQMZHKMSBCWCZ-OAHLLOKOSA-N 2 0 300.450 2.948 20 0 DFADRP C[C@@H]([NH3+])CCC(=O)NCC1([NH2+][C@H](C)c2ccccc2)CCCC1 ZINC000262827296 427374513 /nfs/dbraw/zinc/37/45/13/427374513.db2.gz PZLLKQGWIFBKST-HZPDHXFCSA-N 2 0 317.477 2.894 20 0 DFADRP CC[NH+](CC)CCO[C@H]1CC[N@H+](C[C@@H](OC)c2ccccc2)C1 ZINC000338549512 427374851 /nfs/dbraw/zinc/37/48/51/427374851.db2.gz RRQOQEFNCRZPPN-RBUKOAKNSA-N 2 0 320.477 2.807 20 0 DFADRP Cc1nccn1CCC[N@@H+](C)Cc1cncc(Br)c1 ZINC000271026069 427374976 /nfs/dbraw/zinc/37/49/76/427374976.db2.gz PALUGPREXDKWNQ-UHFFFAOYSA-N 2 0 323.238 2.871 20 0 DFADRP CC[N@H+](Cc1ccc(C(=O)N[C@@H]2CC[NH2+]C[C@H]2C)cc1)C(C)C ZINC000262918385 427380096 /nfs/dbraw/zinc/38/00/96/427380096.db2.gz ZDPXCCJEOVJRGT-CRAIPNDOSA-N 2 0 317.477 2.645 20 0 DFADRP CC[C@](C)([NH2+]CCCN1CC[NH+](C(C)C)CC1)c1nccs1 ZINC000191576498 427380616 /nfs/dbraw/zinc/38/06/16/427380616.db2.gz MVYNTUFVHQXQRN-KRWDZBQOSA-N 2 0 324.538 2.774 20 0 DFADRP CCC[NH+]1CCC([NH2+]C[C@](C)(C(=O)OC)c2ccccc2)CC1 ZINC000191591178 427383697 /nfs/dbraw/zinc/38/36/97/427383697.db2.gz MWFOCYNGVLSFSG-IBGZPJMESA-N 2 0 318.461 2.581 20 0 DFADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]CCc1cc(C(F)(F)F)ccn1 ZINC000293626489 427385320 /nfs/dbraw/zinc/38/53/20/427385320.db2.gz GEKVDGLHCHSTAK-JMSVASOKSA-N 2 0 315.383 2.961 20 0 DFADRP CCn1nccc1CC[NH2+][C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000338573266 427389576 /nfs/dbraw/zinc/38/95/76/427389576.db2.gz UFBILZKXCUUKSI-JKSUJKDBSA-N 2 0 304.482 2.688 20 0 DFADRP C[N@@H+]1CCCC[C@@H]1CCN1CCC(Oc2ncccc2F)CC1 ZINC000278041340 427390684 /nfs/dbraw/zinc/39/06/84/427390684.db2.gz CLQQYCICTZGXKY-OAHLLOKOSA-N 2 0 321.440 2.938 20 0 DFADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]CCc1cccc(C(F)(F)F)n1 ZINC000293635035 427391876 /nfs/dbraw/zinc/39/18/76/427391876.db2.gz GUTIYFXLAXKEBD-YRGRVCCFSA-N 2 0 315.383 2.961 20 0 DFADRP C[N@@H+]1CCC[C@@]2(CCN(Cc3ccnn3-c3ccccc3)C2)C1 ZINC000293692121 427409116 /nfs/dbraw/zinc/40/91/16/427409116.db2.gz QSUBZJABFAAWKI-LJQANCHMSA-N 2 0 310.445 2.790 20 0 DFADRP COc1ccc(F)c(C[NH2+]CCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000293728263 427415726 /nfs/dbraw/zinc/41/57/26/427415726.db2.gz ZBGIVVNJDFQNSJ-GASCZTMLSA-N 2 0 324.440 2.813 20 0 DFADRP CC(C)[C@H]1C[C@H]([NH2+]CC2(O)CC[NH+](C)CC2)c2ccccc21 ZINC000278793785 427456286 /nfs/dbraw/zinc/45/62/86/427456286.db2.gz QOQSUKPLRXHMAH-MSOLQXFVSA-N 2 0 302.462 2.917 20 0 DFADRP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1ccc([S@@](C)=O)cc1 ZINC000278797408 427456470 /nfs/dbraw/zinc/45/64/70/427456470.db2.gz QWCGQDYKNCMQRG-VRLALDKJSA-N 2 0 306.475 2.700 20 0 DFADRP O=C(CCC1CC[NH2+]CC1)NC1CC[NH+](CC2CCCC2)CC1 ZINC000263297462 427456799 /nfs/dbraw/zinc/45/67/99/427456799.db2.gz WORXLILKRXXRAF-UHFFFAOYSA-N 2 0 321.509 2.537 20 0 DFADRP CC[C@@H](C(=O)OC(C)(C)C)[N@@H+]1CC[C@H](CNc2ccccn2)C1 ZINC000192034315 427466555 /nfs/dbraw/zinc/46/65/55/427466555.db2.gz MVFKGXFQKCJWOI-CABCVRRESA-N 2 0 319.449 2.936 20 0 DFADRP CC1(C)[C@H](O)C[C@@H]1[NH2+][C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000184465401 427467127 /nfs/dbraw/zinc/46/71/27/427467127.db2.gz HSHYUOHEACEXJJ-QXCZDIPSSA-N 2 0 314.473 2.646 20 0 DFADRP C[C@H]1OCC[C@H]1[NH2+][C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000293872102 427472189 /nfs/dbraw/zinc/47/21/89/427472189.db2.gz YGCPONLMJIQDKU-RSRPTUBKSA-N 2 0 300.446 2.664 20 0 DFADRP C[C@@H](C(=O)Nc1ccc(-c2cn3c(n2)CCCC3)cc1)[C@H](C)[NH3+] ZINC000192100965 427480176 /nfs/dbraw/zinc/48/01/76/427480176.db2.gz DJJCLWQDNDZVBO-OLZOCXBDSA-N 2 0 312.417 2.808 20 0 DFADRP C[C@@H]([NH3+])[C@@H](C)C(=O)NCc1ccc(C[NH+]2CCC(C)CC2)cc1 ZINC000192094012 427480324 /nfs/dbraw/zinc/48/03/24/427480324.db2.gz RFMIJXPEPRKSPH-HZPDHXFCSA-N 2 0 317.477 2.518 20 0 DFADRP [NH3+]CC1(CC(=O)NC2CC[NH+](C3CCCC3)CC2)CCCCC1 ZINC000184223050 427420767 /nfs/dbraw/zinc/42/07/67/427420767.db2.gz DMWQSNSOJBTBSI-UHFFFAOYSA-N 2 0 321.509 2.809 20 0 DFADRP [NH3+]CC1(CC(=O)N2CC[C@@H](C[NH+]3CCCCC3)C2)CCCCC1 ZINC000184241546 427424407 /nfs/dbraw/zinc/42/44/07/427424407.db2.gz NKUXIRGRRDQJRI-KRWDZBQOSA-N 2 0 321.509 2.620 20 0 DFADRP CO[C@H](C[NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]12)C1CC1 ZINC000293754004 427426760 /nfs/dbraw/zinc/42/67/60/427426760.db2.gz QPFYLSAVAXFFFF-IYWMVGAKSA-N 2 0 314.473 2.912 20 0 DFADRP Cc1cncc([C@H](C)[NH2+]CCCC[NH+]2C[C@@H](C)O[C@H](C)C2)c1 ZINC000184325364 427436722 /nfs/dbraw/zinc/43/67/22/427436722.db2.gz JYERLNJRTNSYEV-ZACQAIPSSA-N 2 0 305.466 2.930 20 0 DFADRP C[C@@H]1CCC[C@](CNC(=O)[C@H]2CCCC[C@]2(C)[NH3+])([NH+](C)C)C1 ZINC000263222603 427440028 /nfs/dbraw/zinc/44/00/28/427440028.db2.gz MERHOHBUIKLJSL-LMSBXDPUSA-N 2 0 309.498 2.521 20 0 DFADRP C[C@@H](CN[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)C[NH+](C)C ZINC000293805723 427442341 /nfs/dbraw/zinc/44/23/41/427442341.db2.gz VHXJBYPSSQKAJB-FRYIKTPZSA-N 3 0 315.505 2.969 20 0 DFADRP CCC[N@H+](C)C[C@@H]1CCN(CC[NH+](C)Cc2ccccc2)C1 ZINC000278686002 427445444 /nfs/dbraw/zinc/44/54/44/427445444.db2.gz RZTIVAKDRKXVDE-IBGZPJMESA-N 2 0 303.494 2.782 20 0 DFADRP C[C@H](C[NH2+][C@H](C)[C@@H]1C[C@@H]1c1ccccc1)CN1CC[NH+](C)CC1 ZINC000338795528 427493856 /nfs/dbraw/zinc/49/38/56/427493856.db2.gz SCRLBOJZNFQLKF-IZBJGVDFSA-N 2 0 315.505 2.652 20 0 DFADRP C[C@@H]([NH2+]CC1(C)CC[NH+](C)CC1)c1ccccc1-n1ccnn1 ZINC000286332259 427497030 /nfs/dbraw/zinc/49/70/30/427497030.db2.gz YLRYXDPLDIFAOS-OAHLLOKOSA-N 2 0 313.449 2.650 20 0 DFADRP C[C@@H]1CC[N@H+](C[C@@H](O)c2c(F)cccc2F)C[C@@H]1n1ccnc1 ZINC000271353472 427506784 /nfs/dbraw/zinc/50/67/84/427506784.db2.gz YUJXBLMCKFXOAG-UHOFOFEASA-N 2 0 321.371 2.778 20 0 DFADRP c1cc(N2CCC([NH2+][C@@H]3CCCC34CCOCC4)CC2)cc[nH+]1 ZINC000298162220 427525789 /nfs/dbraw/zinc/52/57/89/427525789.db2.gz SQVJTYSHSYPYAN-GOSISDBHSA-N 2 0 315.461 2.989 20 0 DFADRP COCc1cc(C[NH2+]C2CCC([NH+]3CCC(C)CC3)CC2)no1 ZINC000332153904 427525656 /nfs/dbraw/zinc/52/56/56/427525656.db2.gz QWRQAIRZZIQDHR-UHFFFAOYSA-N 2 0 321.465 2.954 20 0 DFADRP O[C@H](CC[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1)c1ccccc1 ZINC000286433539 427528263 /nfs/dbraw/zinc/52/82/63/427528263.db2.gz NADPJOALKYYBRG-PKOBYXMFSA-N 2 0 302.462 2.918 20 0 DFADRP C[C@@H](CN1CCC[C@H](C)C1)[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000298233399 427543114 /nfs/dbraw/zinc/54/31/14/427543114.db2.gz BMVBLQNSDKCBEP-IRXDYDNUSA-N 2 0 316.493 2.760 20 0 DFADRP CC[N@@H+]1CC[C@@H]([NH2+]CCc2ccc(NC(=O)OC)cc2)[C@H](C)C1 ZINC000271458444 427546528 /nfs/dbraw/zinc/54/65/28/427546528.db2.gz HIENDGYYRMKMBG-RHSMWYFYSA-N 2 0 319.449 2.727 20 0 DFADRP C[N@H+](CCN1CCC[C@@H]1C[NH+]1CCCC1)Cc1ccccc1 ZINC000279080395 427553644 /nfs/dbraw/zinc/55/36/44/427553644.db2.gz ACGIGNADPKJFEN-LJQANCHMSA-N 2 0 301.478 2.679 20 0 DFADRP c1cc(C[N@@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)n[nH]1 ZINC000293916502 427489402 /nfs/dbraw/zinc/48/94/02/427489402.db2.gz MGEGOFPBSRHIJA-UHFFFAOYSA-N 2 0 310.445 2.898 20 0 DFADRP C[C@H]1COCC[C@H]1[NH2+]CC1CC[NH+](Cc2cccs2)CC1 ZINC000192520745 427557922 /nfs/dbraw/zinc/55/79/22/427557922.db2.gz LQNJHXHICZXZCA-WMLDXEAASA-N 2 0 308.491 2.975 20 0 DFADRP Cc1nc(CN2CCC(C[NH2+][C@@H]3CCOC[C@@H]3C)CC2)oc1C ZINC000192538368 427559404 /nfs/dbraw/zinc/55/94/04/427559404.db2.gz AFLDDIWLICGPCF-SUMWQHHRSA-N 2 0 321.465 2.518 20 0 DFADRP CCc1oc(CN(C)[C@H]2CC[N@@H+](CC)C[C@@H]2C)cc1C(=O)OC ZINC000338944958 427577387 /nfs/dbraw/zinc/57/73/87/427577387.db2.gz PFOBWQSGGMGVFK-BBRMVZONSA-N 2 0 322.449 2.791 20 0 DFADRP C[C@@H](NC1CC[NH+](CCc2ccccc2)CC1)c1ccnn1C ZINC000192660578 427582898 /nfs/dbraw/zinc/58/28/98/427582898.db2.gz VBRMHQQRGNKXMF-MRXNPFEDSA-N 2 0 312.461 2.778 20 0 DFADRP C[C@@H](O)c1ccc(C[NH2+]C2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC000298369558 427584885 /nfs/dbraw/zinc/58/48/85/427584885.db2.gz KRINMYYVJGMBFV-OAHLLOKOSA-N 2 0 311.429 2.894 20 0 DFADRP CC[C@H](C(=O)NC1CC[NH+]([C@@H](C)c2ccccc2)CC1)[NH+](C)C ZINC000338966053 427596395 /nfs/dbraw/zinc/59/63/95/427596395.db2.gz KXNNSFYPALSPFW-MAUKXSAKSA-N 2 0 317.477 2.668 20 0 DFADRP OC[C@H]1CCC[N@@H+]1CCCC[NH2+]CCc1cccc(Cl)c1 ZINC000298481605 427623740 /nfs/dbraw/zinc/62/37/40/427623740.db2.gz PLUBDKLYMUAHEB-QGZVFWFLSA-N 2 0 310.869 2.709 20 0 DFADRP COCC[N@H+](C)CCCC1CCN(c2cc[nH+]cc2C)CC1 ZINC000192734333 427598894 /nfs/dbraw/zinc/59/88/94/427598894.db2.gz KVQIGWYTIXHVJI-UHFFFAOYSA-N 2 0 305.466 2.965 20 0 DFADRP C[C@H](C[NH2+]C1CCN(c2cc[nH+]cc2)CC1)N1CCC[C@@H](C)C1 ZINC000298434685 427606996 /nfs/dbraw/zinc/60/69/96/427606996.db2.gz NEVXBUDGECUHQU-IAGOWNOFSA-N 2 0 316.493 2.760 20 0 DFADRP Cc1cccc2c(N[C@@H](C)CN3CC[NH+](C)CC3)c(C)c[nH+]c12 ZINC000185302217 427628794 /nfs/dbraw/zinc/62/87/94/427628794.db2.gz FQGGWADVICERJI-INIZCTEOSA-N 2 0 312.461 2.899 20 0 DFADRP Cc1cccc2c1[nH+]cc(C)c2N1CC[N@@H+](C[C@@H](C)O)[C@H](C)C1 ZINC000185297811 427629995 /nfs/dbraw/zinc/62/99/95/427629995.db2.gz VYZHWFRKYCBKCV-HZPDHXFCSA-N 2 0 313.445 2.743 20 0 DFADRP COC(=O)Nc1cccc(C[NH2+][C@@H]2C[C@@H](C)[N@H+](C)C[C@H]2C)c1 ZINC000287545085 427636060 /nfs/dbraw/zinc/63/60/60/427636060.db2.gz PLTGLAQKEAVMAE-XJKCOSOUSA-N 2 0 305.422 2.683 20 0 DFADRP C[C@@H](C[NH2+]CCCC[N@@H+]1CCC[C@H]1CO)c1ccc(F)cc1 ZINC000272112138 427637921 /nfs/dbraw/zinc/63/79/21/427637921.db2.gz RKOHIHPUWOVCED-YJBOKZPZSA-N 2 0 308.441 2.756 20 0 DFADRP C[NH+](C)[C@H](CNC(=O)CC1(C[NH3+])CCCCC1)c1ccccc1 ZINC000185352218 427639797 /nfs/dbraw/zinc/63/97/97/427639797.db2.gz OSHUFPLKOHPQRZ-QGZVFWFLSA-N 2 0 317.477 2.705 20 0 DFADRP COCc1ccc(C[N@@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@@H]32)cc1 ZINC000339042874 427644247 /nfs/dbraw/zinc/64/42/47/427644247.db2.gz CEPPVBZOWPIELR-GBESFXJTSA-N 2 0 318.461 2.517 20 0 DFADRP C[C@@H]1C[C@@H]([NH2+]Cc2nnc(C3CC[NH2+]CC3)[nH]2)CC(C)(C)C1 ZINC000333554744 427647221 /nfs/dbraw/zinc/64/72/21/427647221.db2.gz JZHWLSUMCLBIPY-TZMCWYRMSA-N 2 0 305.470 2.576 20 0 DFADRP C[C@H](COc1ccc(F)cc1F)[NH2+]C1CCN(C2CC2)CC1 ZINC000298564683 427651633 /nfs/dbraw/zinc/65/16/33/427651633.db2.gz WKLMUCIREYXEIG-GFCCVEGCSA-N 2 0 310.388 2.949 20 0 DFADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+]Cc2cc(Cl)cs2)CC1 ZINC000193085493 427663082 /nfs/dbraw/zinc/66/30/82/427663082.db2.gz GHMCFYQNFFWIII-ZDUSSCGKSA-N 2 0 315.914 2.765 20 0 DFADRP CC(C)[N@@H+]1[C@@H]2CC[C@H]1CN(C(=O)[C@H](C)[NH+]1CCCCCC1)CC2 ZINC000342561504 272024724 /nfs/dbraw/zinc/02/47/24/272024724.db2.gz BEFWRSKVXIAZCR-KSZLIROESA-N 2 0 321.509 2.725 20 0 DFADRP C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)C1(C[NH+](C)C)CCCCC1 ZINC000342763365 272051928 /nfs/dbraw/zinc/05/19/28/272051928.db2.gz ZJJNQEZPRIHCHJ-SJORKVTESA-N 2 0 321.509 2.584 20 0 DFADRP CC[N@@H+]1CC[C@@H](N(C)Cc2cn3cc(C)ccc3n2)C[C@@H]1C ZINC000342787320 272054039 /nfs/dbraw/zinc/05/40/39/272054039.db2.gz IXTCQRXFZOWYPV-DOTOQJQBSA-N 2 0 300.450 2.947 20 0 DFADRP C[C@@H]1C[N@H+](C)C[C@@H]1Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000342902702 272065717 /nfs/dbraw/zinc/06/57/17/272065717.db2.gz PFDIXGWKALXHFR-PBHICJAKSA-N 2 0 305.491 2.597 20 0 DFADRP Cc1cccc(C)c1C[N@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@H]21 ZINC000342928047 272067266 /nfs/dbraw/zinc/06/72/66/272067266.db2.gz PMNWLHRIMBMBTJ-BHIYHBOVSA-N 2 0 302.462 2.987 20 0 DFADRP COCCCOc1ccc(C[NH2+][C@@H]2C[C@H](C)[N@H+](C)C[C@H]2C)cc1 ZINC000287690510 427670422 /nfs/dbraw/zinc/67/04/22/427670422.db2.gz WROCHZLDQYJYMA-JTDSTZFVSA-N 2 0 320.477 2.920 20 0 DFADRP CCCC[N@H+](C)CC1CC[NH+]([C@@H](C)C(=O)N[C@H](C)CC)CC1 ZINC000343045773 272078785 /nfs/dbraw/zinc/07/87/85/272078785.db2.gz OFJVFKXFINQVBJ-CVEARBPZSA-N 2 0 311.514 2.734 20 0 DFADRP CCCC[N@H+](C)CC1CC[NH+]([C@H](C)C(=O)N2CCCCC2)CC1 ZINC000343046136 272079147 /nfs/dbraw/zinc/07/91/47/272079147.db2.gz QIBKMSKWBRFPAX-QGZVFWFLSA-N 2 0 323.525 2.831 20 0 DFADRP CCSc1cccc(C[NH2+]C[C@H](C)CN2CC[NH+](C)CC2)c1 ZINC000185516232 427666772 /nfs/dbraw/zinc/66/67/72/427666772.db2.gz WSGGZTARDKVUFM-INIZCTEOSA-N 2 0 321.534 2.772 20 0 DFADRP CCc1cc(N(C)C[C@@H]2C[C@H](OC)C[N@@H+]2C)c2ccccc2[nH+]1 ZINC000343299285 272115062 /nfs/dbraw/zinc/11/50/62/272115062.db2.gz BDZGILDLYMDDOK-HOTGVXAUSA-N 2 0 313.445 2.953 20 0 DFADRP C[C@H]1CN(C)C[C@@H]1[NH2+]Cc1cccc(NC(=O)C2CCCC2)c1 ZINC000343484547 272157597 /nfs/dbraw/zinc/15/75/97/272157597.db2.gz WCCYCJDLPJVCRW-KSSFIOAISA-N 2 0 315.461 2.855 20 0 DFADRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H]2C[C@@H](C)O[C@@H](C)C2)[C@@H](C)C1 ZINC000339097655 427674312 /nfs/dbraw/zinc/67/43/12/427674312.db2.gz ZRIXDDYWZLHRQG-JCECYMMASA-N 2 0 312.498 2.669 20 0 DFADRP CN(CCC[N@H+](C)Cc1ccc(Cl)s1)CC[NH+](C)C ZINC000344028322 272251537 /nfs/dbraw/zinc/25/15/37/272251537.db2.gz MYWXABMTRMSQJK-UHFFFAOYSA-N 2 0 303.903 2.717 20 0 DFADRP CN(CCC[N@H+](C)Cc1ccc(C(F)F)cc1)CC[NH+](C)C ZINC000344029945 272251843 /nfs/dbraw/zinc/25/18/43/272251843.db2.gz BDZWHROHEAAJRS-UHFFFAOYSA-N 2 0 313.436 2.940 20 0 DFADRP CCC[N@H+](CCN1CC[NH+](CC)CC1)Cc1cccc(F)c1 ZINC000344118426 272267864 /nfs/dbraw/zinc/26/78/64/272267864.db2.gz BVUHFJUYZYSGDR-UHFFFAOYSA-N 2 0 307.457 2.675 20 0 DFADRP C[C@@H]1CN(C2CC2)C[C@@H]1[NH2+][C@H]1CCO[C@@H]1c1ccc(F)c(F)c1 ZINC000344297546 272307390 /nfs/dbraw/zinc/30/73/90/272307390.db2.gz BCYOQXFUTZHIMG-HBUMBIOYSA-N 2 0 322.399 2.867 20 0 DFADRP CC1(C)[C@@H](O)C[C@@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000193313628 427683300 /nfs/dbraw/zinc/68/33/00/427683300.db2.gz MCBIZNMAKSZKKG-JEQQUTEPSA-N 2 0 314.473 2.931 20 0 DFADRP CCN1C[C@H]([NH2+][C@H]2CCCN(c3cccc(OC)c3)C2)[C@@H](C)C1 ZINC000344368457 272321919 /nfs/dbraw/zinc/32/19/19/272321919.db2.gz CBJUJGXXNMNGIP-BXWFABGCSA-N 2 0 317.477 2.594 20 0 DFADRP CC[C@@H](C(=O)NCCCC[N@@H+]1CCC[C@H](C)C1)[NH+](CC)CC ZINC000344518770 272333387 /nfs/dbraw/zinc/33/33/87/272333387.db2.gz BXWXQXKBGMESPW-IRXDYDNUSA-N 2 0 311.514 2.735 20 0 DFADRP CC[N@@H+]1CC[C@@H]([NH2+]Cc2cccc(OCCOC)c2)[C@@H](C)C1 ZINC000344537251 272335445 /nfs/dbraw/zinc/33/54/45/272335445.db2.gz KAEMYLOFCOCMMU-MAUKXSAKSA-N 2 0 306.450 2.532 20 0 DFADRP CC[N@@H+]1CC[C@H]([NH2+]Cc2cccc(OCCOC)c2)[C@@H](C)C1 ZINC000344537256 272335830 /nfs/dbraw/zinc/33/58/30/272335830.db2.gz KAEMYLOFCOCMMU-YJBOKZPZSA-N 2 0 306.450 2.532 20 0 DFADRP CC[C@H](C(=O)Nc1cc(C[NH+]2CCCC2)ccc1C)[NH+](C)C ZINC000298715666 427684517 /nfs/dbraw/zinc/68/45/17/427684517.db2.gz WLABBBUMEIKNQR-QGZVFWFLSA-N 2 0 303.450 2.870 20 0 DFADRP CC[C@@H]([NH2+]Cc1ccc(OCCC[NH+](C)C)cc1)[C@H]1CCOC1 ZINC000344607537 272347351 /nfs/dbraw/zinc/34/73/51/272347351.db2.gz OGEODYAZLFIAJI-PKOBYXMFSA-N 2 0 320.477 2.922 20 0 DFADRP C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](N[C@@H]2CC[NH+](C)[C@H](C)C2)C1 ZINC000344676996 272354901 /nfs/dbraw/zinc/35/49/01/272354901.db2.gz JUURBIOCVPEELI-UKBAYJJMSA-N 2 0 301.478 2.894 20 0 DFADRP C[C@H](C(=O)N1CC[NH+](C2CCC2)C[C@H](C)C1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000344719705 272360341 /nfs/dbraw/zinc/36/03/41/272360341.db2.gz GAFDADRLVPMXEQ-MWDXBVQZSA-N 2 0 321.509 2.581 20 0 DFADRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+]Cc1ccc(F)c(Cl)c1 ZINC000185878445 427722404 /nfs/dbraw/zinc/72/24/04/427722404.db2.gz QDHCFFAOQJMJTD-CYBMUJFWSA-N 2 0 313.848 2.595 20 0 DFADRP CCC[C@H]([NH2+]CCN1CCC([NH+](C)C)CC1)c1cccnc1 ZINC000185647683 427685440 /nfs/dbraw/zinc/68/54/40/427685440.db2.gz NOWSSWVXTSBHBZ-SFHVURJKSA-N 2 0 304.482 2.538 20 0 DFADRP CC[C@@H]1CN(c2cc[nH+]c3ccc(C)cc32)CC[N@@H+]1C[C@@H](C)O ZINC000185640775 427685616 /nfs/dbraw/zinc/68/56/16/427685616.db2.gz BCQILKNKXMDCTI-HZPDHXFCSA-N 2 0 313.445 2.825 20 0 DFADRP COCCCOc1ccc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000287759570 427687364 /nfs/dbraw/zinc/68/73/64/427687364.db2.gz ZRUQDNBOLIUETI-MSOLQXFVSA-N 2 0 318.461 2.818 20 0 DFADRP C[NH+](C)[C@@H]1CCC[N@H+](C[C@@H](O)Cc2cccc(Cl)c2)CC1 ZINC000287779731 427690946 /nfs/dbraw/zinc/69/09/46/427690946.db2.gz NIQXZEUZFQEABD-SJORKVTESA-N 2 0 310.869 2.660 20 0 DFADRP C[C@@H](C[NH2+]Cc1ccnn1-c1ccc(F)cc1)Cn1ccnc1 ZINC000279536946 427696941 /nfs/dbraw/zinc/69/69/41/427696941.db2.gz ABSUJKKIFIDIEX-AWEZNQCLSA-N 2 0 313.380 2.634 20 0 DFADRP [NH3+]C1(CN[C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)C2CC3CC(C2)CC1C3 ZINC000333886214 427702974 /nfs/dbraw/zinc/70/29/74/427702974.db2.gz XHIZWLSCMGPWGC-IPRTVARMSA-N 2 0 317.521 2.650 20 0 DFADRP C[C@H]([NH2+]CC[C@@H]1CCC[N@@H+]1C)C1CCN(CC(F)(F)F)CC1 ZINC000339162417 427710663 /nfs/dbraw/zinc/71/06/63/427710663.db2.gz BSBIKBXMLIKPKZ-ZFWWWQNUSA-N 2 0 321.431 2.723 20 0 DFADRP COC(=O)CCC[C@@H]1CCC[C@H]([NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)C1 ZINC000339180676 427720159 /nfs/dbraw/zinc/72/01/59/427720159.db2.gz DDTCBMOHXLXLNH-BBWFWOEESA-N 2 0 322.493 2.962 20 0 DFADRP CCc1nocc1C[NH2+]CC1CCN(c2cc[nH+]cc2)CC1 ZINC000339339388 427757333 /nfs/dbraw/zinc/75/73/33/427757333.db2.gz UPLKBPKGZASRMH-UHFFFAOYSA-N 2 0 300.406 2.638 20 0 DFADRP CC(C)SCC[NH+]1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000336846806 427757421 /nfs/dbraw/zinc/75/74/21/427757421.db2.gz RAUAFZCLAVBVJZ-CALCHBBNSA-N 2 0 313.555 2.618 20 0 DFADRP [NH3+]C[C@@H](Cc1ccccc1)[C@H]1CCCC[N@@H+]1CC1CC[NH2+]CC1 ZINC000337033756 427790877 /nfs/dbraw/zinc/79/08/77/427790877.db2.gz HGWJYBKADCARLZ-WOJBJXKFSA-N 2 0 315.505 2.658 20 0 DFADRP C[N@@H+]1CCC[C@H]1CC[NH+](CCO)[C@@H]1CCCc2ccccc21 ZINC000336858182 427762868 /nfs/dbraw/zinc/76/28/68/427762868.db2.gz XLQRXABGSQMXMT-PKOBYXMFSA-N 2 0 302.462 2.843 20 0 DFADRP CC(C)[C@@H](C[NH2+][C@H](C)CCCC(F)(F)F)N1CC[NH+](C)CC1 ZINC000336860893 427764114 /nfs/dbraw/zinc/76/41/14/427764114.db2.gz VWQMWTDKYITGEK-HUUCEWRRSA-N 2 0 323.447 2.969 20 0 DFADRP CC(C)C[C@@H]([NH3+])c1noc(-c2ccccc2OCC[NH+](C)C)n1 ZINC000339398407 427768306 /nfs/dbraw/zinc/76/83/06/427768306.db2.gz WEWCNALNJGWYLQ-CQSZACIVSA-N 2 0 318.421 2.723 20 0 DFADRP CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000300201767 427772091 /nfs/dbraw/zinc/77/20/91/427772091.db2.gz AMTPKTXKWARXFK-FXUDXRNXSA-N 2 0 323.481 2.649 20 0 DFADRP C[N@@H+]1CCC[C@]2(CC[NH+](CCCCC(=O)OC(C)(C)C)C2)C1 ZINC000339428588 427773024 /nfs/dbraw/zinc/77/30/24/427773024.db2.gz PMYPMMUITBJSHF-SFHVURJKSA-N 2 0 310.482 2.916 20 0 DFADRP c1ccc(CCCO[C@H]2CC[N@H+](C[C@@H]3CCC[NH2+]C3)C2)cc1 ZINC000339427847 427773073 /nfs/dbraw/zinc/77/30/73/427773073.db2.gz DZNIPFUCSRVSBP-MOPGFXCFSA-N 2 0 302.462 2.710 20 0 DFADRP C[C@@H](F)CC[NH2+]Cc1c(Cl)cccc1N1CC[NH+](C)CC1 ZINC000339489672 427783021 /nfs/dbraw/zinc/78/30/21/427783021.db2.gz SFWYLBJLMUELCW-CYBMUJFWSA-N 2 0 313.848 2.930 20 0 DFADRP Cc1nccnc1CC[NH2+][C@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000339527533 427789387 /nfs/dbraw/zinc/78/93/87/427789387.db2.gz DSWPAIUXYOUESI-WMZOPIPTSA-N 2 0 310.445 2.753 20 0 DFADRP COC(=O)CCC[C@H]1CCC[C@@H]([NH2+]CC2CC[NH+](C)CC2)C1 ZINC000339240343 427738453 /nfs/dbraw/zinc/73/84/53/427738453.db2.gz SCYUVIMKURPVIK-NVXWUHKLSA-N 2 0 310.482 2.820 20 0 DFADRP CN(CC[C@H]1CCC[N@@H+]1C)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000336704734 427748118 /nfs/dbraw/zinc/74/81/18/427748118.db2.gz GVLCLJCBBJUPLP-MOPGFXCFSA-N 2 0 301.478 2.677 20 0 DFADRP C[C@]1([NH3+])CCCC[C@@H]1C(=O)NCCCCC[NH+]1CCCCC1 ZINC000345701735 272521983 /nfs/dbraw/zinc/52/19/83/272521983.db2.gz AYUZSDLTMLKAAY-AEFFLSMTSA-N 2 0 309.498 2.666 20 0 DFADRP C[N@H+](C[C@@H]1CC[NH+](Cc2ccccc2)C1)C[C@@H]1CCCOC1 ZINC000336723944 427751483 /nfs/dbraw/zinc/75/14/83/427751483.db2.gz WVMZMTGZHNFQNN-OALUTQOASA-N 2 0 302.462 2.867 20 0 DFADRP [NH3+]C[C@@H](Cc1ccccc1)[C@@H]1CCCC[N@@H+]1CC1CC[NH2+]CC1 ZINC000337033751 427790641 /nfs/dbraw/zinc/79/06/41/427790641.db2.gz HGWJYBKADCARLZ-UXHICEINSA-N 2 0 315.505 2.658 20 0 DFADRP Cc1cc(N2CCCC[C@H]2CN2CCOCC2)nc(C(C)C)n1 ZINC000301648438 427812616 /nfs/dbraw/zinc/81/26/16/427812616.db2.gz ISYFAXAKDAYRJO-INIZCTEOSA-N 2 0 318.465 2.600 20 0 DFADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NCC(C)(C)[NH+]1C[C@H](C)C[C@H](C)C1 ZINC000339694440 427813014 /nfs/dbraw/zinc/81/30/14/427813014.db2.gz KGBBLDNREVAESQ-IXDOHACOSA-N 2 0 323.525 2.734 20 0 DFADRP Cc1nc2ccccc2n1CCCNc1nccc(N(C)C)n1 ZINC000301680042 427815211 /nfs/dbraw/zinc/81/52/11/427815211.db2.gz JGQQRSFJNDZVCA-UHFFFAOYSA-N 2 0 310.405 2.703 20 0 DFADRP C[C@@H]1CN(c2ccc(CNc3nc4ccccc4[nH]3)cn2)CCO1 ZINC000301882417 427832392 /nfs/dbraw/zinc/83/23/92/427832392.db2.gz MRGFKNLYRAZJER-CYBMUJFWSA-N 2 0 323.400 2.795 20 0 DFADRP Cc1cc([C@H]([NH2+]CCCN2CC[NH+](C)CC2)C2CC2)ccc1F ZINC000337311456 427839596 /nfs/dbraw/zinc/83/95/96/427839596.db2.gz CMUWYPMOUBEOQU-LJQANCHMSA-N 2 0 319.468 2.812 20 0 DFADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@H]([NH+]2[C@H](C)CC[C@H]2C)C1 ZINC000340500311 427864797 /nfs/dbraw/zinc/86/47/97/427864797.db2.gz RIAMAXVVJPZEGB-ZJPYXAASSA-N 2 0 321.509 2.725 20 0 DFADRP CCSCC[NH2+]CCCN1CC[N@H+](C)C[C@H]1c1ccccc1 ZINC000355733600 427866234 /nfs/dbraw/zinc/86/62/34/427866234.db2.gz MAIPWWCAKHGFFV-SFHVURJKSA-N 2 0 321.534 2.708 20 0 DFADRP C[NH+]1CCN(CCC(C)(C)[NH2+]C[C@@H]2C[C@@H]2c2ccccc2)CC1 ZINC000349821477 427873318 /nfs/dbraw/zinc/87/33/18/427873318.db2.gz LHGINHADMWDEAL-RBUKOAKNSA-N 2 0 315.505 2.796 20 0 DFADRP COC(C)(C)[C@@H](C)[NH2+]Cc1ccccc1C[NH+]1CCC(O)CC1 ZINC000340537557 427874104 /nfs/dbraw/zinc/87/41/04/427874104.db2.gz UYGJRNYBNVYESE-OAHLLOKOSA-N 2 0 320.477 2.546 20 0 DFADRP C/C(=C/c1ccccc1)C[N@H+](C)CCCN1CC[NH+](C)CC1 ZINC000337476421 427925658 /nfs/dbraw/zinc/92/56/58/427925658.db2.gz SIFXQJIJXQTDRT-VLGSPTGOSA-N 2 0 301.478 2.659 20 0 DFADRP C[NH+]1CCC(C)(C[NH2+]Cc2cnc([C@@H]3CCCO3)s2)CC1 ZINC000355775235 427885671 /nfs/dbraw/zinc/88/56/71/427885671.db2.gz PMKBWMNZGYEUFQ-AWEZNQCLSA-N 2 0 309.479 2.816 20 0 DFADRP C[C@H]([NH2+]CCN1CC[NH+](Cc2ccccc2)CC1)C(C)(C)C ZINC000359528246 427892760 /nfs/dbraw/zinc/89/27/60/427892760.db2.gz UJHKYUBIGONLSS-KRWDZBQOSA-N 2 0 303.494 2.828 20 0 DFADRP C[C@@H](CNC(=O)c1cccc(C[NH+](C)C)c1)[N@@H+]1CCCC[C@H]1C ZINC000355823687 427909221 /nfs/dbraw/zinc/90/92/21/427909221.db2.gz YXUZNICJNUBNEP-CVEARBPZSA-N 2 0 317.477 2.741 20 0 DFADRP CC[N@H+](CCC1CC[NH+](C[C@@H](O)C(F)(F)F)CC1)CC1CC1 ZINC000359570625 427917305 /nfs/dbraw/zinc/91/73/05/427917305.db2.gz IXWRFUTYDZXEIS-OAHLLOKOSA-N 2 0 322.415 2.744 20 0 DFADRP Cc1cc([C@@H](C)[NH2+][C@@H](CC(C)C)C(=O)NCC[NH+](C)C)oc1C ZINC000337463568 427918180 /nfs/dbraw/zinc/91/81/80/427918180.db2.gz LBOQPZDGKXIUJE-ZBFHGGJFSA-N 2 0 323.481 2.640 20 0 DFADRP CC(C)[NH+]1CCN(CCC[N@@H+]2CC[C@H](C(F)(F)F)[C@@H]2C)CC1 ZINC000337469175 427920994 /nfs/dbraw/zinc/92/09/94/427920994.db2.gz OPIRZWUTSFKONL-GJZGRUSLSA-N 2 0 321.431 2.675 20 0 DFADRP Cc1nn(C)c(C)c1C[NH2+][C@H]1CCN(C)[C@@H](c2ccccc2)C1 ZINC000340216886 427956796 /nfs/dbraw/zinc/95/67/96/427956796.db2.gz FEZVJQXTKADEAE-PKOBYXMFSA-N 2 0 312.461 2.962 20 0 DFADRP C[C@@H](CN1CC[NH+](C)CC1)[NH2+][C@@H](C)c1cccc(C2CC2)c1 ZINC000340236288 427962646 /nfs/dbraw/zinc/96/26/46/427962646.db2.gz KENFZQSKTGGYNH-HOTGVXAUSA-N 2 0 301.478 2.851 20 0 DFADRP C[N@H+](Cc1ccc(OCc2ccncc2)cc1)C1CC[NH2+]CC1 ZINC000347189451 272744062 /nfs/dbraw/zinc/74/40/62/272744062.db2.gz DNKBCANYPPGIKS-UHFFFAOYSA-N 2 0 311.429 2.844 20 0 DFADRP C[N@@H+]1CC[C@@H](NCCC[NH+]2CCCC2)C[C@H]1c1ccccc1 ZINC000340183131 427948475 /nfs/dbraw/zinc/94/84/75/427948475.db2.gz VFULALGSNKKQKB-MOPGFXCFSA-N 2 0 301.478 2.897 20 0 DFADRP Cc1cc(N(C)C[C@H]2C[C@H](F)CN2Cc2cccs2)ncn1 ZINC000359644511 427952577 /nfs/dbraw/zinc/95/25/77/427952577.db2.gz WIGSKUJYWLAAGE-UONOGXRCSA-N 2 0 320.437 2.895 20 0 DFADRP Cn1ccnc1C[C@@H]1CCC[N@H+](CC[C@H]2CCCC[NH+]2C)C1 ZINC000340919340 427952619 /nfs/dbraw/zinc/95/26/19/427952619.db2.gz YFAWJYLKQZRYMD-DLBZAZTESA-N 2 0 304.482 2.549 20 0 DFADRP Cn1ccnc1C[C@@H]1CCC[N@H+](CC[C@@H]2CCCC[NH+]2C)C1 ZINC000340919353 427954245 /nfs/dbraw/zinc/95/42/45/427954245.db2.gz YFAWJYLKQZRYMD-IRXDYDNUSA-N 2 0 304.482 2.549 20 0 DFADRP C[C@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)C1(C[NH+](C)C)CCCCC1 ZINC000346127598 428028691 /nfs/dbraw/zinc/02/86/91/428028691.db2.gz ISJSCRWHSDVELT-DLBZAZTESA-N 2 0 321.509 2.584 20 0 DFADRP Cc1cc(N(C)C[C@@H]2CCC[N@H+](C)[C@H]2c2cnn(C)c2)cc[nH+]1 ZINC000369733514 428046597 /nfs/dbraw/zinc/04/65/97/428046597.db2.gz ZDDHMQQEZNMLIY-MAUKXSAKSA-N 2 0 313.449 2.643 20 0 DFADRP C[N@@H+]1CCC[C@H]2C[NH+](Cc3cc(-n4ccnc4)cs3)CC[C@H]21 ZINC000346170993 428050537 /nfs/dbraw/zinc/05/05/37/428050537.db2.gz NOAMEHLEBHYNIK-WMLDXEAASA-N 2 0 316.474 2.850 20 0 DFADRP CCC[N@H+](CC)C[C@H](C)NC(=O)[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC000359741038 427998427 /nfs/dbraw/zinc/99/84/27/427998427.db2.gz BWNNHURVPWFWGC-DLBZAZTESA-N 2 0 323.525 2.878 20 0 DFADRP Cn1nccc1[C@H]1CCC[C@@H]([NH2+][C@H]2CCC[C@@H]([NH+](C)C)C2)C1 ZINC000369558282 427998973 /nfs/dbraw/zinc/99/89/73/427998973.db2.gz CIQABAYFCHOXII-VVLHAWIVSA-N 2 0 304.482 2.909 20 0 DFADRP C[NH+](C)CCOCC[NH2+][C@@H](Cc1ccccc1Cl)C1CC1 ZINC000340367103 428001344 /nfs/dbraw/zinc/00/13/44/428001344.db2.gz STTHTIFTCXPFMX-KRWDZBQOSA-N 2 0 310.869 2.829 20 0 DFADRP CCOCCC1(C[NH2+][C@@H]2CC[N@H+](C[C@H]3CCCO3)C[C@H]2C)CC1 ZINC000376804764 428001672 /nfs/dbraw/zinc/00/16/72/428001672.db2.gz QXTDKKVAXDPDHB-KZNAEPCWSA-N 2 0 324.509 2.672 20 0 DFADRP CC1=C[C@H](C)C[C@H](C[NH+]2CCN(CC[NH+]3CCCC3)CC2)C1 ZINC000356054963 428003524 /nfs/dbraw/zinc/00/35/24/428003524.db2.gz BZAYUGHXSUKZOK-HKUYNNGSSA-N 2 0 305.510 2.692 20 0 DFADRP C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@H]1[NH2+]C[C@H]1CCCSC1 ZINC000376826077 428006395 /nfs/dbraw/zinc/00/63/95/428006395.db2.gz NPEOFPYNWGFZSX-WCXIOVBPSA-N 2 0 312.523 2.609 20 0 DFADRP C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@@H]1[NH2+]C[C@H]1CCCSC1 ZINC000376826075 428007445 /nfs/dbraw/zinc/00/74/45/428007445.db2.gz NPEOFPYNWGFZSX-NCOADZHNSA-N 2 0 312.523 2.609 20 0 DFADRP CCC[NH+](CCC)CCCC(=O)N1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000356233446 428080301 /nfs/dbraw/zinc/08/03/01/428080301.db2.gz OMSKCXQJQRGZPR-LJQANCHMSA-N 2 0 323.525 2.833 20 0 DFADRP CC[NH+]1CCC(NC[C@@H](c2ccc(C)o2)[NH+]2CCCC2)CC1 ZINC000359968448 428098834 /nfs/dbraw/zinc/09/88/34/428098834.db2.gz PXMCXOCXRDHFTA-KRWDZBQOSA-N 2 0 305.466 2.799 20 0 DFADRP C[C@H]([NH3+])[C@H]1CC[N@H+](Cc2ccccc2OCC(F)(F)F)C1 ZINC000351861451 428112796 /nfs/dbraw/zinc/11/27/96/428112796.db2.gz LKXWPFNOORETEK-RYUDHWBXSA-N 2 0 302.340 2.797 20 0 DFADRP C[C@H]([NH3+])[C@H]1CC[N@H+](CCOc2ccccc2C(F)(F)F)C1 ZINC000351859197 428113800 /nfs/dbraw/zinc/11/38/00/428113800.db2.gz FVLVIMAFKJOAPW-RYUDHWBXSA-N 2 0 302.340 2.753 20 0 DFADRP C[NH+]1[C@@H]2CC[C@H]1CC(NC[C@H]1CC[N@@H+](C)[C@H]1c1ccccc1)C2 ZINC000377358323 428113991 /nfs/dbraw/zinc/11/39/91/428113991.db2.gz NCVYLYLYVCSZKI-NWJVMNJYSA-N 2 0 313.489 2.894 20 0 DFADRP C[C@H]([NH3+])[C@@H]1CC[N@H+](CCc2nc(-c3cccc(Cl)c3)no2)C1 ZINC000351860494 428114248 /nfs/dbraw/zinc/11/42/48/428114248.db2.gz ISVCTVPWCGDRJJ-WCQYABFASA-N 2 0 320.824 2.602 20 0 DFADRP C[C@@H]([NH2+]C[C@H]1CCC[N@@H+]1C1CCCCC1)C(C)(C)n1cncn1 ZINC000377394061 428119926 /nfs/dbraw/zinc/11/99/26/428119926.db2.gz SRVCSUKEHKLKLK-NVXWUHKLSA-N 2 0 319.497 2.788 20 0 DFADRP CC[NH+](CC)C[C@@H]1CCCC[C@H]1[NH2+]Cc1c[nH]c2nccnc12 ZINC000356197956 428063826 /nfs/dbraw/zinc/06/38/26/428063826.db2.gz WYTGHAIUOGGDSS-GOEBONIOSA-N 2 0 315.465 2.900 20 0 DFADRP CC(C)[N@H+](C)Cc1ccccc1C[NH2+][C@@H]1CC[NH+](C)C[C@H]1C ZINC000360051714 428134677 /nfs/dbraw/zinc/13/46/77/428134677.db2.gz GDIWWINELGFRIG-VQIMIIECSA-N 2 0 303.494 2.957 20 0 DFADRP CC(C)[C@H](CNC(=[NH2+])N1CCC(C)CC1)[NH+]1CCC(C)CC1 ZINC000341635889 428134661 /nfs/dbraw/zinc/13/46/61/428134661.db2.gz QFYRXYZDLWELJN-KRWDZBQOSA-N 2 0 308.514 2.999 20 0 DFADRP CC(C)n1ncc2cc(C[N@@H+]3CCCC[C@H]3CC[NH3+])cnc21 ZINC000352534338 428139890 /nfs/dbraw/zinc/13/98/90/428139890.db2.gz FOBSCUQUPLTCHD-INIZCTEOSA-N 2 0 301.438 2.716 20 0 DFADRP c1ccc(C[N@H+]2C[C@@H]3CC[C@H]([NH2+]CC[C@@H]4CCOC4)[C@@H]3C2)cc1 ZINC000346360635 428140453 /nfs/dbraw/zinc/14/04/53/428140453.db2.gz JGLAFRRCRFZMPF-WCIQWLHISA-N 2 0 314.473 2.913 20 0 DFADRP [NH3+]CCC[N@@H+](Cc1ccc2c(c1)OCCO2)CC1CCCC1 ZINC000352539761 428141491 /nfs/dbraw/zinc/14/14/91/428141491.db2.gz CMCFWIIGTHLQEL-UHFFFAOYSA-N 2 0 304.434 2.799 20 0 DFADRP CC1CCN(C(=[NH2+])NCC(C)(C)[NH+]2C[C@H](C)C[C@@H](C)C2)CC1 ZINC000341609067 428129083 /nfs/dbraw/zinc/12/90/83/428129083.db2.gz CROMOLONTFTRBK-HZPDHXFCSA-N 2 0 308.514 2.999 20 0 DFADRP CC(C)SCC[N@H+](C)C1CC[NH+](C2CCOCC2)CC1 ZINC000370186681 428152746 /nfs/dbraw/zinc/15/27/46/428152746.db2.gz UNYNSHUUFAZXPN-UHFFFAOYSA-N 2 0 300.512 2.703 20 0 DFADRP CC[C@@H]([NH2+]CCCCN1CC[NH+](CC)CC1)c1ccc(F)cn1 ZINC000352553687 428146959 /nfs/dbraw/zinc/14/69/59/428146959.db2.gz DBVAODIUWHJSOA-QGZVFWFLSA-N 2 0 322.472 2.679 20 0 DFADRP Cc1ccc(C[NH+](C)C)cc1NC(=O)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000346374797 428147219 /nfs/dbraw/zinc/14/72/19/428147219.db2.gz BMJCPZGBDREXHA-GDBMZVCRSA-N 2 0 303.450 2.725 20 0 DFADRP COCC[N@H+](C)CCC[NH2+]C1CC(c2cc(F)cc(F)c2)C1 ZINC000377550020 428154517 /nfs/dbraw/zinc/15/45/17/428154517.db2.gz NRDMJDUCYPRPGZ-UHFFFAOYSA-N 2 0 312.404 2.769 20 0 DFADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)C[C@H]1CCC[C@@H]1C ZINC000346424614 428167699 /nfs/dbraw/zinc/16/76/99/428167699.db2.gz DLQHUPQAPSZNEY-RCCFBDPRSA-N 2 0 323.525 2.687 20 0 DFADRP Cc1ccc(C[N@@H+](C)[C@@H]2CCN(C3CC[NH+](C)CC3)C2)cc1 ZINC000377622486 428173749 /nfs/dbraw/zinc/17/37/49/428173749.db2.gz GRRUUWWTUQBPGQ-LJQANCHMSA-N 2 0 301.478 2.595 20 0 DFADRP CC[C@H]([NH2+]CC1CC[NH+](CC(=O)NC(C)(C)C)CC1)[C@H]1C[C@H]1C ZINC000414116172 428212670 /nfs/dbraw/zinc/21/26/70/428212670.db2.gz QHZSGTBZZZSKEV-PVAVHDDUSA-N 2 0 323.525 2.637 20 0 DFADRP C[N@@H+]1CCC[C@@H]1CC[NH+]1C[C@@H](CO)[C@@H](c2ccc(Cl)cc2)C1 ZINC000352770614 428240837 /nfs/dbraw/zinc/24/08/37/428240837.db2.gz NEUZNUPYPRCJBV-CGTJXYLNSA-N 2 0 322.880 2.832 20 0 DFADRP C[C@@H](O)C[N@@H+]1CC(C)(C)[C@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000414140138 428218425 /nfs/dbraw/zinc/21/84/25/428218425.db2.gz IUPLBFFCHPWLNZ-VQIMIIECSA-N 2 0 316.489 2.990 20 0 DFADRP CC[C@@H]([NH2+]CC1CC[NH+](CCN(C)C)CC1)c1ccc(F)cn1 ZINC000352722047 428220840 /nfs/dbraw/zinc/22/08/40/428220840.db2.gz NLUWVCRJCFORHO-QGZVFWFLSA-N 2 0 322.472 2.535 20 0 DFADRP CCCC[N@H+](C)CC1CCN(C(=O)[C@H]2CC[NH2+][C@H]2C(C)C)CC1 ZINC000377763273 428223101 /nfs/dbraw/zinc/22/31/01/428223101.db2.gz VMEPTZNSTAILQH-ROUUACIJSA-N 2 0 323.525 2.591 20 0 DFADRP C[C@@H](CCN1CC[NH+](C)CC1)[NH2+]C/C=C/c1ccc(F)c(F)c1 ZINC000352740842 428228296 /nfs/dbraw/zinc/22/82/96/428228296.db2.gz ASMRNVUAOTUZKD-BWPKMQGJSA-N 2 0 323.431 2.594 20 0 DFADRP CCC[NH+](CCC)CCCNC(=O)[C@H](C)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000341863266 428232939 /nfs/dbraw/zinc/23/29/39/428232939.db2.gz NGVNSWDRLRJIGB-BBWFWOEESA-N 2 0 311.514 2.876 20 0 DFADRP C[N@@H+]1CCC[C@@H](CC[NH2+][C@H]2CCC(=O)Nc3ccc(F)cc32)C1 ZINC000414203562 428233927 /nfs/dbraw/zinc/23/39/27/428233927.db2.gz ZMAHWBZBQSELPU-BBRMVZONSA-N 2 0 319.424 2.921 20 0 DFADRP Cc1ccncc1CCC[N@@H+]1CCC[C@@H]1[C@@H]1COCC[C@]1(C)O ZINC000377698020 428199987 /nfs/dbraw/zinc/19/99/87/428199987.db2.gz PGBDSWBDSGBNEP-OTWHNJEPSA-N 2 0 318.461 2.575 20 0 DFADRP CC[C@H]([NH2+]C[C@H](C)CN1CC[NH+](CC)CC1)c1ccc(F)cn1 ZINC000352685269 428204272 /nfs/dbraw/zinc/20/42/72/428204272.db2.gz SWAHRUPSNMKVCE-RDJZCZTQSA-N 2 0 322.472 2.535 20 0 DFADRP c1[nH]nc2c1CC[C@@H]([NH2+]C1CC[NH+](C3CCCCC3)CC1)C2 ZINC000370660739 428266898 /nfs/dbraw/zinc/26/68/98/428266898.db2.gz CQWMORROZRDLCZ-MRXNPFEDSA-N 2 0 302.466 2.654 20 0 DFADRP CC[N@@H+]1CC[C@H](N[C@H]2C[C@H]3CC[C@@H](C2)[NH+]3Cc2ccccc2)C1 ZINC000414347446 428267757 /nfs/dbraw/zinc/26/77/57/428267757.db2.gz QZUUIDOFWBHLMA-HAGHYFMRSA-N 2 0 313.489 2.866 20 0 DFADRP Fc1ccc(N2CC[C@H]([NH2+][C@H]3CC[N@@H+]4CCC[C@@H]4C3)C2)cc1 ZINC000414356008 428271205 /nfs/dbraw/zinc/27/12/05/428271205.db2.gz ZOVXTDGQNKJEJJ-XYJFISCASA-N 2 0 303.425 2.621 20 0 DFADRP Cc1nn(-c2ccc(F)cc2)c(C)c1C[N@H+]1C[C@@H](C[NH3+])C[C@@H]1C ZINC000346689741 428272557 /nfs/dbraw/zinc/27/25/57/428272557.db2.gz SOJZKRHCEXLHAY-SWLSCSKDSA-N 2 0 316.424 2.797 20 0 DFADRP [NH3+]CC1CC[NH+](Cc2c[nH]nc2-c2c(F)cccc2F)CC1 ZINC000346685637 428272935 /nfs/dbraw/zinc/27/29/35/428272935.db2.gz IROGVICVJSUYLC-UHFFFAOYSA-N 2 0 306.360 2.526 20 0 DFADRP C[C@H]1C[C@@H](C(=O)N[C@H]2CCC[NH+](C3CCCCC3)C2)CC[N@@H+]1C ZINC000377969624 428273153 /nfs/dbraw/zinc/27/31/53/428273153.db2.gz ZFEJEPSCNNCIQY-ULQDDVLXSA-N 2 0 321.509 2.630 20 0 DFADRP [NH3+]CC1CC[NH+](Cc2cnn(-c3ccc(Cl)cc3)c2)CC1 ZINC000346685604 428273678 /nfs/dbraw/zinc/27/36/78/428273678.db2.gz ILOFEQTULQBZRW-UHFFFAOYSA-N 2 0 304.825 2.696 20 0 DFADRP C[C@H]([NH3+])[C@H]1CC[N@H+](Cc2ccccc2OCc2ccccn2)C1 ZINC000346692536 428276018 /nfs/dbraw/zinc/27/60/18/428276018.db2.gz ZSVNDWAVDNDHCU-HOTGVXAUSA-N 2 0 311.429 2.830 20 0 DFADRP Cc1nn(Cc2ccccc2)c(C)c1C[N@H+]1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000346694764 428276662 /nfs/dbraw/zinc/27/66/62/428276662.db2.gz WBLPBCKIKDYQKR-KDOFPFPSSA-N 2 0 312.461 2.717 20 0 DFADRP CCN1CC[NH+](CCCC[NH2+]C[C@@H]2CC(C)=C[C@@H](C)C2)CC1 ZINC000352855615 428280893 /nfs/dbraw/zinc/28/08/93/428280893.db2.gz TVYBCNJZKCPXFF-MJGOQNOKSA-N 2 0 307.526 2.986 20 0 DFADRP CC(C)[N@@H+](C)C[C@H](C)NC(=O)c1ccc(C[NH+]2CCCC2)cc1 ZINC000356764066 428296509 /nfs/dbraw/zinc/29/65/09/428296509.db2.gz GUUUNBWTFLAKBT-INIZCTEOSA-N 2 0 317.477 2.741 20 0 DFADRP CCCC[N@H+](C)C[C@H](C)NC(=O)[C@@H](C)[NH+](C)Cc1ccccc1 ZINC000356596777 428248709 /nfs/dbraw/zinc/24/87/09/428248709.db2.gz LFBWEUQHRUXRFB-DLBZAZTESA-N 2 0 319.493 2.744 20 0 DFADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CCC[C@@H]2OC)[C@H](C)C1 ZINC000341911453 428248898 /nfs/dbraw/zinc/24/88/98/428248898.db2.gz UTUYVZPBIXSJLX-OWSLCNJRSA-N 2 0 312.498 2.528 20 0 DFADRP C[N@@H+](CC1=Cc2ccccc2OC1)C[C@H]1CCn2ccnc2C1 ZINC000377869855 428250820 /nfs/dbraw/zinc/25/08/20/428250820.db2.gz RDKYMSYWXZSUEU-HNNXBMFYSA-N 2 0 309.413 2.853 20 0 DFADRP CC[NH+]1CCN([C@@H](C)C[NH2+]C/C=C/c2ccc(F)c(F)c2)CC1 ZINC000352809467 428256511 /nfs/dbraw/zinc/25/65/11/428256511.db2.gz CANIVIBPTSAVFJ-RGDDUWESSA-N 2 0 323.431 2.594 20 0 DFADRP CCc1ccc([C@H](C)[NH2+][C@@H]2CCN(C3CC[NH+](C)CC3)C2)o1 ZINC000370635420 428259367 /nfs/dbraw/zinc/25/93/67/428259367.db2.gz PBOSQLXZYJWHGL-LSDHHAIUSA-N 2 0 305.466 2.661 20 0 DFADRP C[C@H]([NH2+][C@H]1CCN(C2CC[NH+](C)CC2)C1)c1cc(F)cc(F)c1 ZINC000370636664 428260053 /nfs/dbraw/zinc/26/00/53/428260053.db2.gz SBIOSZOEDJSYPW-GUYCJALGSA-N 2 0 323.431 2.784 20 0 DFADRP CC[N@@H+]1CC[C@@H](NC2CC[NH+]([C@H](C)Cc3ccccc3)CC2)C1 ZINC000414330930 428261120 /nfs/dbraw/zinc/26/11/20/428261120.db2.gz CKUQEFACDPWXJH-YLJYHZDGSA-N 2 0 315.505 2.766 20 0 DFADRP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)N(CC[NH+](C)C)CC1CCCCC1 ZINC000355416525 287680039 /nfs/dbraw/zinc/68/00/39/287680039.db2.gz XLDOFBGKYGJURQ-IAGOWNOFSA-N 2 0 323.525 2.830 20 0 DFADRP CCc1noc(C)c1CN(C)C1CC[NH+](C2CCOCC2)CC1 ZINC000378104632 428310425 /nfs/dbraw/zinc/31/04/25/428310425.db2.gz SWUMCCRWEKHSTG-UHFFFAOYSA-N 2 0 321.465 2.621 20 0 DFADRP C[C@H]([NH2+][C@@H]1CCCN(C)[C@@H]1C)c1ccc(OCC[NH+](C)C)cc1 ZINC000346804834 428323605 /nfs/dbraw/zinc/32/36/05/428323605.db2.gz YFFWIWOAPVDYML-FRQCXROJSA-N 2 0 319.493 2.760 20 0 DFADRP [NH3+][C@@H]1CCC[C@H]2C[N@H+](Cc3cnc(-c4ccncc4)s3)C[C@H]21 ZINC000346813360 428326146 /nfs/dbraw/zinc/32/61/46/428326146.db2.gz AVWYNGGVYYWVPB-NUEKZKHPSA-N 2 0 314.458 2.764 20 0 DFADRP CCOC[C@H](C)[NH2+][C@H]1CCN(Cc2cnc(C)s2)C[C@@H]1C ZINC000378183362 428328321 /nfs/dbraw/zinc/32/83/21/428328321.db2.gz IXQSVAUCBSEPGY-XEZPLFJOSA-N 2 0 311.495 2.677 20 0 DFADRP C[C@](O)(C[NH2+][C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21)C1CC1 ZINC000356838372 428331000 /nfs/dbraw/zinc/33/10/00/428331000.db2.gz ILTDXSOJMQTPKJ-NBYUQASBSA-N 2 0 314.473 2.648 20 0 DFADRP C[C@@H]1C[C@@H](N(C)C[C@@H]2CCC[NH2+]C2)CC[N@@H+]1Cc1ccccc1 ZINC000346824933 428331046 /nfs/dbraw/zinc/33/10/46/428331046.db2.gz DCAYDZGUOJWYBK-RLLQIKCJSA-N 2 0 315.505 2.971 20 0 DFADRP C[C@]1(C[NH2+][C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]23)CCOC1 ZINC000356840450 428335300 /nfs/dbraw/zinc/33/53/00/428335300.db2.gz FLTZJFRJZSOUGP-IYWMVGAKSA-N 2 0 314.473 2.913 20 0 DFADRP CCCN(CC[NH+]1CCCC1)C(=O)C1(C[NH+](C)C)CCCCC1 ZINC000342180068 428338412 /nfs/dbraw/zinc/33/84/12/428338412.db2.gz APZNYALTUMAUBH-UHFFFAOYSA-N 2 0 323.525 2.833 20 0 DFADRP C[C@H]([NH2+]CC1(N2CCSCC2)CCCC1)[C@@H]1CCCOC1 ZINC000356858428 428339948 /nfs/dbraw/zinc/33/99/48/428339948.db2.gz XQPBAFOKYWSELS-JKSUJKDBSA-N 2 0 312.523 2.753 20 0 DFADRP C[N@H+](CCCc1cc(-c2ccc(F)cc2)n[nH]1)CC(C)(C)[NH3+] ZINC000346841732 428341236 /nfs/dbraw/zinc/34/12/36/428341236.db2.gz HANKOWRXFYKFIM-UHFFFAOYSA-N 2 0 304.413 2.818 20 0 DFADRP CCOc1cc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)ccc1OC ZINC000346841269 428341357 /nfs/dbraw/zinc/34/13/57/428341357.db2.gz GYXDZZWTTKLMLP-JYJNAYRXSA-N 2 0 304.434 2.653 20 0 DFADRP c1cc2c(cc1[C@@H]1CCC[N@H+]1C[C@@H]1CCC[NH2+]C1)OCCO2 ZINC000346852477 428344788 /nfs/dbraw/zinc/34/47/88/428344788.db2.gz RREIUBRDAFQSSR-ZBFHGGJFSA-N 2 0 302.418 2.594 20 0 DFADRP CC[N@H+](CCC1CCN(C(=O)C[NH+](C)C(C)C)CC1)CC1CC1 ZINC000356889413 428352257 /nfs/dbraw/zinc/35/22/57/428352257.db2.gz FBAGUMXZZPGEAQ-UHFFFAOYSA-N 2 0 323.525 2.687 20 0 DFADRP [NH3+]C[C@H]1CCC[C@@H]1[NH2+]Cc1cccc(OCC(F)(F)F)c1 ZINC000414794832 428413972 /nfs/dbraw/zinc/41/39/72/428413972.db2.gz MGIREYYDDMCENS-OCCSQVGLSA-N 2 0 302.340 2.845 20 0 DFADRP CC(C)C[C@H]([NH3+])CN(CCc1ccccn1)Cc1cccnc1 ZINC000414740564 428390820 /nfs/dbraw/zinc/39/08/20/428390820.db2.gz DAIBHOBSCPYFEH-SFHVURJKSA-N 2 0 312.461 2.895 20 0 DFADRP C[C@@H]1C[C@@H](C[NH+]2CCC(NC(=O)CC3CCCC3)CC2)CC[NH2+]1 ZINC000414743198 428391240 /nfs/dbraw/zinc/39/12/40/428391240.db2.gz OICDEIFMYDXEMN-WBVHZDCISA-N 2 0 321.509 2.535 20 0 DFADRP CCOC(=O)C1CCC([N@H+](CC)C[C@@H]2CC[NH2+][C@H](C)C2)CC1 ZINC000414747751 428393511 /nfs/dbraw/zinc/39/35/11/428393511.db2.gz SRJVEXROVMGFDK-NUWOQIAWSA-N 2 0 310.482 2.818 20 0 DFADRP C[C@@H]1CCCC[N@@H+]1CCC1CC[NH+](C[C@H]2CCC[NH2+]C2)CC1 ZINC000346983821 428395002 /nfs/dbraw/zinc/39/50/02/428395002.db2.gz NSZVNWTZPNOWDB-MJGOQNOKSA-N 3 0 307.526 2.963 20 0 DFADRP CC[N@H+](CC1CCN(c2ccccn2)CC1)C[C@@H]1CCC[NH2+]C1 ZINC000346987350 428396398 /nfs/dbraw/zinc/39/63/98/428396398.db2.gz SJJKPNMDFUJLLR-GOSISDBHSA-N 2 0 316.493 2.620 20 0 DFADRP C[C@H]([NH3+])[C@@H]1CCC[N@H+](Cc2c[nH]nc2-c2ccc(F)cc2)C1 ZINC000346995612 428399812 /nfs/dbraw/zinc/39/98/12/428399812.db2.gz BOJXOBFIRPJSKT-GXTWGEPZSA-N 2 0 302.397 2.775 20 0 DFADRP CC(C)Oc1cccc(C[N@@H+]2C[C@@H](C[NH3+])C3(C2)CCOCC3)c1 ZINC000414774692 428400357 /nfs/dbraw/zinc/40/03/57/428400357.db2.gz FTFUWGXSXVFXGX-QGZVFWFLSA-N 2 0 318.461 2.661 20 0 DFADRP CCCn1nc(C)c(C[N@@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)c1C ZINC000414773299 428401446 /nfs/dbraw/zinc/40/14/46/428401446.db2.gz DJFAHNYJJAPXLZ-IAGOWNOFSA-N 2 0 304.482 2.731 20 0 DFADRP c1cc(-c2n[nH]cc2C[N@@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)cs1 ZINC000414774626 428401857 /nfs/dbraw/zinc/40/18/57/428401857.db2.gz FMZVKKUSAIMANY-ZIAGYGMSSA-N 2 0 316.474 2.960 20 0 DFADRP [NH3+]C[C@H]1C[N@H+](C/C=C\c2ccc(F)cc2F)CC12CCOCC2 ZINC000414780920 428404206 /nfs/dbraw/zinc/40/42/06/428404206.db2.gz MDKNMEKRCFFISA-OYADATRGSA-N 2 0 322.399 2.665 20 0 DFADRP Cc1ccc(C[N@@H+]2C[C@@H](C[NH3+])C3(C2)CCOCC3)cc1Cl ZINC000414777815 428404607 /nfs/dbraw/zinc/40/46/07/428404607.db2.gz IKKQVKTYRKDCFW-OAHLLOKOSA-N 2 0 308.853 2.836 20 0 DFADRP C[C@H](Cc1ccccc1)C[N@@H+]1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000414785431 428407512 /nfs/dbraw/zinc/40/75/12/428407512.db2.gz SRCYOHSVIBSTEQ-SJLPKXTDSA-N 2 0 302.462 2.553 20 0 DFADRP Cc1cc(C)c(C[N@@H+]2C[C@@H](C[NH3+])C3(C2)CCOCC3)cc1C ZINC000414783969 428407747 /nfs/dbraw/zinc/40/77/47/428407747.db2.gz ICPCCXQIWSQVEC-GOSISDBHSA-N 2 0 302.462 2.799 20 0 DFADRP CCOc1ccc(C[N@@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)cc1OC ZINC000414789693 428408819 /nfs/dbraw/zinc/40/88/19/428408819.db2.gz YLXLOYLZSJRCFH-IRXDYDNUSA-N 2 0 318.461 2.915 20 0 DFADRP c1nc(-c2ccccc2)[nH]c1C[N@@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000414789268 428409737 /nfs/dbraw/zinc/40/97/37/428409737.db2.gz YHKNACVJYJHUHW-DLBZAZTESA-N 2 0 310.445 2.898 20 0 DFADRP COc1cc(C)c(C[N@@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)c(C)n1 ZINC000414789673 428410822 /nfs/dbraw/zinc/41/08/22/428410822.db2.gz YKSSZUSSGNTWQL-HZPDHXFCSA-N 2 0 303.450 2.529 20 0 DFADRP [NH3+][C@@H]1CCO[C@H]1C1CC[NH+](C/C=C\c2ccc(F)cc2)CC1 ZINC000414788820 428410943 /nfs/dbraw/zinc/41/09/43/428410943.db2.gz NJQBHKZALDKAND-ZSCXUVNLSA-N 2 0 304.409 2.667 20 0 DFADRP CCC(C)(C)[NH2+][C@@H](C)C(=O)N1CCC([NH+]2CCCCC2)CC1 ZINC000347030164 428412803 /nfs/dbraw/zinc/41/28/03/428412803.db2.gz AWYGUUBURBUCIY-HNNXBMFYSA-N 2 0 309.498 2.630 20 0 DFADRP C[C@H]([NH2+][C@@H]1CCN(C2CC[NH+](C)CC2)C1)c1ccc(Cl)nc1 ZINC000378297360 428356579 /nfs/dbraw/zinc/35/65/79/428356579.db2.gz XLVFLFALBCZTAQ-DZGCQCFKSA-N 2 0 322.884 2.554 20 0 DFADRP Cn1c2cc(Cl)ccc2nc1C[NH2+][C@H]1CCCC[C@@H]1C[NH3+] ZINC000414795664 428413173 /nfs/dbraw/zinc/41/31/73/428413173.db2.gz GTZDCAHTYCTYCH-YPMHNXCESA-N 2 0 306.841 2.834 20 0 DFADRP C[N@H+](Cc1ccccc1)[C@@H]1CCCN(CCn2cccn2)CC1 ZINC000371107445 428362126 /nfs/dbraw/zinc/36/21/26/428362126.db2.gz OCQVFEDFLNDUKF-LJQANCHMSA-N 2 0 312.461 2.870 20 0 DFADRP CC[C@@H]([NH2+]CC[C@H](C)[NH+]1CCCCC1)C1(C(=O)OC)CCC1 ZINC000346894717 428362948 /nfs/dbraw/zinc/36/29/48/428362948.db2.gz YTIOJEHBNHWTAT-JKSUJKDBSA-N 2 0 310.482 2.962 20 0 DFADRP CC[C@H]1CCC[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)N3CC(=O)N(C)C)C1 ZINC000353051597 428369019 /nfs/dbraw/zinc/36/90/19/428369019.db2.gz ZIJAKRCHORWFKZ-DUQJVZAFSA-N 2 0 321.509 2.628 20 0 DFADRP Cc1nn(-c2cccc(F)c2)cc1C[NH+]1CCC([C@H](C)[NH3+])CC1 ZINC000414680602 428373661 /nfs/dbraw/zinc/37/36/61/428373661.db2.gz ZAAWOIIXIXJILU-ZDUSSCGKSA-N 2 0 316.424 2.879 20 0 DFADRP Cc1cccc(NC(=O)C[N@@H+](C)C[C@@H]2CC[NH2+][C@@H](C)C2)c1C ZINC000414677033 428373935 /nfs/dbraw/zinc/37/39/35/428373935.db2.gz ODPSSLKIAYICIM-GOEBONIOSA-N 2 0 303.450 2.562 20 0 DFADRP C[C@@H]1C[C@@H](C[NH+]2CCC(C(=O)Nc3ccccc3)CC2)CC[NH2+]1 ZINC000414675654 428373986 /nfs/dbraw/zinc/37/39/86/428373986.db2.gz GJKZFQLLCAKUQC-CVEARBPZSA-N 2 0 315.461 2.725 20 0 DFADRP Cc1cc(C)c(NC(=O)C[N@@H+](C)C[C@@H]2CC[NH2+][C@H](C)C2)c(C)c1 ZINC000414675777 428374071 /nfs/dbraw/zinc/37/40/71/428374071.db2.gz MMZAUESVNINGBE-IAGOWNOFSA-N 2 0 317.477 2.870 20 0 DFADRP CCC[NH+]1CCN(c2ccccc2C[NH2+]C[C@H](CC)OC)CC1 ZINC000353070303 428374222 /nfs/dbraw/zinc/37/42/22/428374222.db2.gz HHVKJGAMLVUQDI-SFHVURJKSA-N 2 0 319.493 2.733 20 0 DFADRP COc1ccc(OCCC[NH+]2CCC([C@H]3CC[NH2+]C3)CC2)cc1 ZINC000357069034 428377425 /nfs/dbraw/zinc/37/74/25/428377425.db2.gz FFDDQVZRBWDWSY-KRWDZBQOSA-N 2 0 318.461 2.786 20 0 DFADRP C[C@H]1C[C@@H](C[N@H+](CCCO)Cc2cccc(Cl)c2)CC[NH2+]1 ZINC000414698365 428379397 /nfs/dbraw/zinc/37/93/97/428379397.db2.gz DCHUPUNHLANWJE-HOCLYGCPSA-N 2 0 310.869 2.913 20 0 DFADRP c1cn(-c2ccc(C[NH+]3CCC([C@H]4CC[NH2+]C4)CC3)cc2)cn1 ZINC000357089398 428381478 /nfs/dbraw/zinc/38/14/78/428381478.db2.gz UBUZDXZTFVPYLV-SFHVURJKSA-N 2 0 310.445 2.694 20 0 DFADRP CCC[C@@](C)([NH3+])C(=O)NCc1ccccc1C[NH+]1CCCCC1 ZINC000353090104 428382848 /nfs/dbraw/zinc/38/28/48/428382848.db2.gz RYFZSGPUYGCPDX-LJQANCHMSA-N 2 0 317.477 2.806 20 0 DFADRP C[C@H]1C[C@@H](C[NH+]2CCC(CCC[NH+]3CCCC3)CC2)CC[NH2+]1 ZINC000414714592 428383876 /nfs/dbraw/zinc/38/38/76/428383876.db2.gz XOCLXOONIAVVMK-HKUYNNGSSA-N 3 0 307.526 2.963 20 0 DFADRP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]Cc1cnn(-c2ccc(F)cc2)c1 ZINC000414793452 428413766 /nfs/dbraw/zinc/41/37/66/428413766.db2.gz DLYVLOYCUCAZOC-WMLDXEAASA-N 2 0 302.397 2.619 20 0 DFADRP C[C@@H]1C[C@H](C[NH2+]C2(c3cccc(F)c3)CCOCC2)CC[NH2+]1 ZINC000414710688 428384415 /nfs/dbraw/zinc/38/44/15/428384415.db2.gz QGUDIDBDNOENAI-HUUCEWRRSA-N 2 0 306.425 2.809 20 0 DFADRP CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)CC2CC[NH+](C)CC2)C1 ZINC000346957806 428384785 /nfs/dbraw/zinc/38/47/85/428384785.db2.gz DQTLDROAAPQHHG-INIZCTEOSA-N 2 0 323.525 2.735 20 0 DFADRP Cc1ccc(NC(=O)C[NH+]2CCC([C@H]3CC[NH2+]C3)CC2)c(C)c1 ZINC000357092706 428384894 /nfs/dbraw/zinc/38/48/94/428384894.db2.gz XIDSAZIKNFZAQR-KRWDZBQOSA-N 2 0 315.461 2.563 20 0 DFADRP CCCOc1ccc(C[NH2+]CC[C@@H]2CCC[NH2+]C2)cc1OC ZINC000414846405 428433690 /nfs/dbraw/zinc/43/36/90/428433690.db2.gz HCTLIVLSUISPMY-HNNXBMFYSA-N 2 0 306.450 2.963 20 0 DFADRP C[C@@H]([NH3+])[C@@H]1CCCN(Cc2cnn(-c3ccc(F)cc3)c2)C1 ZINC000347078588 428434847 /nfs/dbraw/zinc/43/48/47/428434847.db2.gz WCIZIFZAIXTWNR-UKRRQHHQSA-N 2 0 302.397 2.571 20 0 DFADRP C[NH2+]CCC[NH2+]Cc1cn(-c2ccccc2)nc1-c1cccnc1 ZINC000414857723 428435487 /nfs/dbraw/zinc/43/54/87/428435487.db2.gz FLGGJUGPCIRFIQ-UHFFFAOYSA-N 2 0 321.428 2.633 20 0 DFADRP CSc1cc2c(cc1C[NH2+][C@@H](C)[C@@H]1CCC[NH2+]C1)OCCO2 ZINC000414854956 428435808 /nfs/dbraw/zinc/43/58/08/428435808.db2.gz MJJGEJMCRVGNRT-QWHCGFSZSA-N 2 0 322.474 2.657 20 0 DFADRP Clc1cc(C[NH2+]CC[C@H]2CCC[NH2+]C2)cc2c1OCCO2 ZINC000414857133 428437009 /nfs/dbraw/zinc/43/70/09/428437009.db2.gz ZXAVVLZSPQIGOX-GFCCVEGCSA-N 2 0 310.825 2.591 20 0 DFADRP CSC1(C[NH2+]Cc2cc(F)ccc2F)CC[NH+](C)CC1 ZINC000353225957 428438014 /nfs/dbraw/zinc/43/80/14/428438014.db2.gz YHRUQAJXKHQYND-UHFFFAOYSA-N 2 0 300.418 2.882 20 0 DFADRP C[C@@H]1CN(Cc2ccccc2)C[C@@H]1[NH2+]CCOC(F)(F)F ZINC000353237811 428445025 /nfs/dbraw/zinc/44/50/25/428445025.db2.gz OCSGOIRLDAOJAE-OCCSQVGLSA-N 2 0 302.340 2.633 20 0 DFADRP Cc1ccc(NC(=O)C[C@@H](C)[NH2+]C[C@@H]([NH3+])C2CC2)cc1Cl ZINC000414881541 428445430 /nfs/dbraw/zinc/44/54/30/428445430.db2.gz AOXFTWWRYDPAHP-IAQYHMDHSA-N 2 0 309.841 2.692 20 0 DFADRP Cc1ccc(NC(=O)C[C@@H](C)[NH2+]CC2([NH3+])CCC2)c(Cl)c1 ZINC000414887726 428446158 /nfs/dbraw/zinc/44/61/58/428446158.db2.gz ZHKPPNZIKFQKPS-GFCCVEGCSA-N 2 0 309.841 2.837 20 0 DFADRP C[C@H]([NH3+])[C@@H]1CCCN(Cc2cnc(-c3ccccn3)s2)C1 ZINC000347104043 428446982 /nfs/dbraw/zinc/44/69/82/428446982.db2.gz KWKIOLLQLDONJM-QWHCGFSZSA-N 2 0 302.447 2.764 20 0 DFADRP CCc1ccccc1C[N@@H+]1CC[C@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000372468519 428449095 /nfs/dbraw/zinc/44/90/95/428449095.db2.gz IFJJIZIKFPYGTA-FQEVSTJZSA-N 2 0 315.505 2.849 20 0 DFADRP C[C@H](CC[NH3+])[NH2+]Cc1cn(-c2ccccc2)nc1-c1cccnc1 ZINC000414894399 428449947 /nfs/dbraw/zinc/44/99/47/428449947.db2.gz LHGKWEXUPYNDDY-OAHLLOKOSA-N 2 0 321.428 2.761 20 0 DFADRP O=C(NCCCCC[NH+]1CCCCC1)[C@@]12C[NH2+]C[C@H]1CCCC2 ZINC000357242447 428450220 /nfs/dbraw/zinc/45/02/20/428450220.db2.gz OPCLBKSRJVWCIL-MJGOQNOKSA-N 2 0 321.509 2.539 20 0 DFADRP COc1ccc(C[C@H](C)C[NH2+]C[C@@]2(C)CCC[NH2+]C2)cc1F ZINC000414899623 428450398 /nfs/dbraw/zinc/45/03/98/428450398.db2.gz CPRIFKMMYVGLJQ-KSSFIOAISA-N 2 0 308.441 2.992 20 0 DFADRP C[C@H]([NH2+][C@@H]1CCc2n[nH]cc2C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000357240509 428450494 /nfs/dbraw/zinc/45/04/94/428450494.db2.gz VHPRAQLQXCBYOH-KVSKMBFKSA-N 2 0 324.472 2.767 20 0 DFADRP C[C@H]([NH2+]CCOC(F)(F)F)c1ccc(OCC[NH+](C)C)cc1 ZINC000353251929 428450703 /nfs/dbraw/zinc/45/07/03/428450703.db2.gz RMWALUQLODOQCK-LBPRGKRZSA-N 2 0 320.355 2.814 20 0 DFADRP COc1ccc(CC[C@H](C)[NH2+]C[C@]2(C)CCC[NH2+]C2)cc1O ZINC000414899239 428450868 /nfs/dbraw/zinc/45/08/68/428450868.db2.gz CIUIDACSYLBBMW-KBXCAEBGSA-N 2 0 306.450 2.701 20 0 DFADRP CC(C)[C@H]([NH3+])CC(=O)NC[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000379655313 428451158 /nfs/dbraw/zinc/45/11/58/428451158.db2.gz LLCUFQLWCSCUJD-QZTJIDSGSA-N 2 0 317.477 2.531 20 0 DFADRP C[C@]1(C[NH2+]Cc2ccc(OC(F)F)c(F)c2)CCC[NH2+]C1 ZINC000414912024 428454452 /nfs/dbraw/zinc/45/44/52/428454452.db2.gz UPFFDHRDVZBZFK-HNNXBMFYSA-N 2 0 302.340 2.906 20 0 DFADRP C[C@@H]([NH2+]CC(C)(C)N1CC[NH+](C)CC1)[C@@H]1CC2CCC1CC2 ZINC000381721941 428454660 /nfs/dbraw/zinc/45/46/60/428454660.db2.gz RRBODBCIFQVVRA-CPFNUKBASA-N 2 0 307.526 2.817 20 0 DFADRP Cc1ccc(NC(=O)C[C@H](C)N[C@@H]2C[NH2+]CC[C@H]2C)c(C)c1 ZINC000414910714 428455710 /nfs/dbraw/zinc/45/57/10/428455710.db2.gz CQHQXUMDFAPNKQ-UKPHBRMFSA-N 2 0 303.450 2.608 20 0 DFADRP COc1ccc(C[C@H](C)[NH2+]C[C@@]2(C)CCC[NH2+]C2)cc1OC ZINC000414918993 428457324 /nfs/dbraw/zinc/45/73/24/428457324.db2.gz VQYMIGZOORWDPV-KSSFIOAISA-N 2 0 306.450 2.614 20 0 DFADRP C[C@@H](CC(=O)Nc1cccc(F)c1)[NH2+]C[C@@]1(C)CCC[NH2+]C1 ZINC000414920374 428457508 /nfs/dbraw/zinc/45/75/08/428457508.db2.gz ZEWUPMRDWNIBSZ-GUYCJALGSA-N 2 0 307.413 2.522 20 0 DFADRP Cc1ccc([C@@H]([NH2+]C[C@H]2CN(C)CCN2C)C2CCCC2)o1 ZINC000342791101 428458266 /nfs/dbraw/zinc/45/82/66/428458266.db2.gz DZOIUSCICDHLKL-WMZOPIPTSA-N 2 0 305.466 2.655 20 0 DFADRP COc1cccc(C[NH2+][C@H]2CCC[C@H]([NH3+])C2)c1OC(F)F ZINC000414922148 428460160 /nfs/dbraw/zinc/46/01/60/428460160.db2.gz GMIXKMUMSZJZLC-RYUDHWBXSA-N 2 0 300.349 2.656 20 0 DFADRP [NH3+][C@@H]1CCC[C@H]([NH2+]Cc2ccc(Br)cc2F)C1 ZINC000414927979 428460423 /nfs/dbraw/zinc/46/04/23/428460423.db2.gz PSNGIMFBGVZFAW-NEPJUHHUSA-N 2 0 301.203 2.948 20 0 DFADRP C[C@@H]1CC[NH2+]C[C@@H]1NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000414928172 428461215 /nfs/dbraw/zinc/46/12/15/428461215.db2.gz MPIAIXSJBFSYEG-PANBIXPWSA-N 2 0 313.489 2.770 20 0 DFADRP C[C@@H]([NH3+])[C@H]1CCCN(Cc2nc3cc(Cl)ccc3n2C)C1 ZINC000347133015 428461341 /nfs/dbraw/zinc/46/13/41/428461341.db2.gz RVEDODXFQGGCPH-NEPJUHHUSA-N 2 0 306.841 2.786 20 0 DFADRP CC[NH+](CC)Cc1ccc(CNC(=O)C[C@H]([NH3+])C(C)C)cc1 ZINC000388674898 428465057 /nfs/dbraw/zinc/46/50/57/428465057.db2.gz SKFPMHHSBBOLJV-KRWDZBQOSA-N 2 0 305.466 2.518 20 0 DFADRP COc1ccc(C[NH2+][C@H]2CCC[C@H]2C[NH3+])cc1OC(F)F ZINC000414797791 428415581 /nfs/dbraw/zinc/41/55/81/428415581.db2.gz PNXNTRYXSRIDCH-RYUDHWBXSA-N 2 0 300.349 2.514 20 0 DFADRP [NH3+]C[C@H]1CCC[C@H]1[NH2+]C1CCN(CCc2ccc(F)cc2)CC1 ZINC000414799095 428416014 /nfs/dbraw/zinc/41/60/14/428416014.db2.gz JKUVDTASYLXOCW-VQIMIIECSA-N 2 0 319.468 2.550 20 0 DFADRP Cc1nn(-c2cccc(F)c2)cc1C[NH2+][C@@H]1CCCC[C@H]1C[NH3+] ZINC000414801545 428416144 /nfs/dbraw/zinc/41/61/44/428416144.db2.gz LYLAXTHQBPWEBG-KBXCAEBGSA-N 2 0 316.424 2.927 20 0 DFADRP CCC(C)(C)[NH2+][C@H](C)C(=O)NCCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000347033684 428416378 /nfs/dbraw/zinc/41/63/78/428416378.db2.gz FFOYULVZJPJCHS-BZUAXINKSA-N 2 0 311.514 2.637 20 0 DFADRP Cc1nn(-c2ccc(F)cc2)cc1C[NH2+][C@H]1CCCC[C@H]1C[NH3+] ZINC000414803239 428416526 /nfs/dbraw/zinc/41/65/26/428416526.db2.gz NJLQXIBZUYYOGH-KSSFIOAISA-N 2 0 316.424 2.927 20 0 DFADRP [NH3+]C[C@H]1CCC[C@H]1[NH2+]Cc1cc(Cl)c2c(c1)OCCCO2 ZINC000414800143 428416808 /nfs/dbraw/zinc/41/68/08/428416808.db2.gz RVAHKBRZLIRYGM-TZMCWYRMSA-N 2 0 310.825 2.718 20 0 DFADRP C[C@H](CC(=O)Nc1ccccc1C(F)(F)F)[NH2+]CC(C)(C)[NH3+] ZINC000414803187 428417024 /nfs/dbraw/zinc/41/70/24/428417024.db2.gz LWHOGXOFSZUGJK-SNVBAGLBSA-N 2 0 317.355 2.749 20 0 DFADRP [NH3+]C[C@H]1CCC[C@@H]1[NH2+]C1CCN(CCc2ccc(F)cc2)CC1 ZINC000414798534 428417152 /nfs/dbraw/zinc/41/71/52/428417152.db2.gz JKUVDTASYLXOCW-APWZRJJASA-N 2 0 319.468 2.550 20 0 DFADRP COCCCOc1cccc(C[N@@H+]2CCC[C@H]([C@@H](C)[NH3+])C2)c1 ZINC000347036027 428417840 /nfs/dbraw/zinc/41/78/40/428417840.db2.gz DZHXDEULGUTGIH-WBVHZDCISA-N 2 0 306.450 2.661 20 0 DFADRP C[C@H](CCc1ccc2c(c1)OCO2)[NH2+][C@H]1CCCC[C@H]1C[NH3+] ZINC000414811046 428417930 /nfs/dbraw/zinc/41/79/30/428417930.db2.gz VZFUKIZCTARTSI-KBMXLJTQSA-N 2 0 304.434 2.844 20 0 DFADRP CC(C)n1ncc2cc(C[NH2+][C@H]3CCCC[C@H]3C[NH3+])cnc21 ZINC000414809819 428418892 /nfs/dbraw/zinc/41/88/92/428418892.db2.gz UOFRIAYZJUIPKP-HOCLYGCPSA-N 2 0 301.438 2.619 20 0 DFADRP CCc1noc(C2CCC([NH2+]CC3=CC[N@H+](C)CC3)CC2)n1 ZINC000378518061 428419550 /nfs/dbraw/zinc/41/95/50/428419550.db2.gz GVDZMBKMJCMLEM-UHFFFAOYSA-N 2 0 304.438 2.510 20 0 DFADRP Cc1nn(Cc2ccc(C)cc2)c(C)c1C[NH2+]CC[C@H](C)[NH3+] ZINC000414818228 428421016 /nfs/dbraw/zinc/42/10/16/428421016.db2.gz DHHQNXHSGFHHLA-AWEZNQCLSA-N 2 0 300.450 2.684 20 0 DFADRP C[C@@H]([NH3+])CC[NH2+]Cc1cccc(Br)c1OC(F)F ZINC000414820442 428421517 /nfs/dbraw/zinc/42/15/17/428421517.db2.gz JJFHFJZZPLJBQN-MRVPVSSYSA-N 2 0 323.181 2.877 20 0 DFADRP C[C@@H]([NH3+])CC[NH2+]Cc1cn(-c2ccccc2)nc1-c1ccncc1 ZINC000414826680 428423389 /nfs/dbraw/zinc/42/33/89/428423389.db2.gz WIBYHPMRIOPSTJ-OAHLLOKOSA-N 2 0 321.428 2.761 20 0 DFADRP C[C@H]([NH3+])CC[NH2+][C@@H](C)Cc1ccc(Br)cc1F ZINC000414825185 428424136 /nfs/dbraw/zinc/42/41/36/428424136.db2.gz SBWZKOILDDPERT-UWVGGRQHSA-N 2 0 303.219 2.846 20 0 DFADRP FC(F)(F)Oc1cccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC000414827379 428425354 /nfs/dbraw/zinc/42/53/54/428425354.db2.gz KNPZKPQWCPKUAD-FUNVUKJBSA-N 2 0 300.324 2.958 20 0 DFADRP CCc1ccccc1NC(=O)C[C@@H](C)[NH2+]C[C@H]1CCC[NH2+]C1 ZINC000414826896 428425548 /nfs/dbraw/zinc/42/55/48/428425548.db2.gz JXYREXZNOCAZNN-CABCVRRESA-N 2 0 303.450 2.555 20 0 DFADRP COc1ccc(OC)c(C[NH2+]CC2(SC)CC[NH+](C)CC2)c1 ZINC000353191951 428426015 /nfs/dbraw/zinc/42/60/15/428426015.db2.gz LLSXEBXDSJDDHC-UHFFFAOYSA-N 2 0 324.490 2.621 20 0 DFADRP C[N@H+](Cc1ccccc1)CC(C)(C)C[NH2+]CC[C@H]1CC[NH2+]C1 ZINC000414835916 428426576 /nfs/dbraw/zinc/42/65/76/428426576.db2.gz SCQVGLLFDRURJU-QGZVFWFLSA-N 2 0 303.494 2.734 20 0 DFADRP Fc1cc(Br)ccc1C[NH2+]CC[C@@H]1CC[NH2+]C1 ZINC000414829947 428427828 /nfs/dbraw/zinc/42/78/28/428427828.db2.gz LKAAUXDLSPOPPM-JTQLQIEISA-N 2 0 301.203 2.677 20 0 DFADRP Cc1ccc(NC(=O)C[C@@H](C)[NH2+]CC[C@H]2CC[NH2+]C2)c(Cl)c1 ZINC000414842970 428431177 /nfs/dbraw/zinc/43/11/77/428431177.db2.gz ZWRMXJHIZQWLBN-ZIAGYGMSSA-N 2 0 323.868 2.955 20 0 DFADRP COCc1cccc(C[NH2+]CC2(SC)CC[NH+](C)CC2)c1 ZINC000353203167 428431878 /nfs/dbraw/zinc/43/18/78/428431878.db2.gz BNDVGIFPIDSRME-UHFFFAOYSA-N 2 0 308.491 2.750 20 0 DFADRP C[C@H]([NH2+]Cc1ccc(OC[C@@H]2CCCO2)cc1)[C@@H]1CCC[NH2+]C1 ZINC000414850926 428432093 /nfs/dbraw/zinc/43/20/93/428432093.db2.gz ITUHXLAFDJLIRR-WDYCEAGBSA-N 2 0 318.461 2.722 20 0 DFADRP [NH3+][C@@H]1CCC[C@H](C[NH2+]Cc2cc(Cl)c3c(c2)OCCO3)C1 ZINC000414990681 428481471 /nfs/dbraw/zinc/48/14/71/428481471.db2.gz IXTSZRIAXAZKOU-WCQYABFASA-N 2 0 310.825 2.718 20 0 DFADRP CCC[NH+](CCC)CCCC(=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000342893360 428482570 /nfs/dbraw/zinc/48/25/70/428482570.db2.gz QWLBHHYRVQHYKQ-IRXDYDNUSA-N 2 0 309.498 2.632 20 0 DFADRP C[C@@H]1CCC[C@H]([NH+]2CCC(N[C@@H]3C[NH2+]CCC3(F)F)CC2)C1 ZINC000414991135 428482596 /nfs/dbraw/zinc/48/25/96/428482596.db2.gz AJUAGSUUMYUDCJ-VNQPRFMTSA-N 2 0 315.452 2.616 20 0 DFADRP COc1ccc(OC(F)F)c(C[NH2+]C[C@@H]2CCC[C@@H]([NH3+])C2)c1 ZINC000414989458 428483518 /nfs/dbraw/zinc/48/35/18/428483518.db2.gz GYAVJWYWCIYSJO-DGCLKSJQSA-N 2 0 314.376 2.904 20 0 DFADRP CCOc1c(C[NH2+]C[C@H]2CCC[C@H]([NH3+])C2)c(C)nn1CC(C)C ZINC000414999746 428485162 /nfs/dbraw/zinc/48/51/62/428485162.db2.gz SGOZFLXFENSKRF-HOTGVXAUSA-N 2 0 322.497 2.853 20 0 DFADRP C[C@H]([NH3+])[C@H]1CCC[N@H+](Cc2ccc(Oc3cnccn3)cc2)C1 ZINC000347186597 428487015 /nfs/dbraw/zinc/48/70/15/428487015.db2.gz BZKARRGQAMMGHG-HOCLYGCPSA-N 2 0 312.417 2.828 20 0 DFADRP CCC[C@H]([NH2+]C[C@H](O)CN1C[C@H](C)O[C@@H](C)C1)c1ccccc1 ZINC000353329573 428487387 /nfs/dbraw/zinc/48/73/87/428487387.db2.gz JBEQHKRFWBCTOO-CAMMJAKZSA-N 2 0 320.477 2.588 20 0 DFADRP Cc1nn2c(C[NH2+][C@H](C)CCCC[NH3+])c(C(C)C)nc2s1 ZINC000415012551 428488212 /nfs/dbraw/zinc/48/82/12/428488212.db2.gz JJHZIYOOFUZISE-LLVKDONJSA-N 2 0 309.483 2.830 20 0 DFADRP CC(C)C[C@@H]([NH2+][C@@H](C)c1cccc(F)c1)C(=O)NCC[NH+](C)C ZINC000347193879 428488693 /nfs/dbraw/zinc/48/86/93/428488693.db2.gz JKUIMPXYDLZRNW-WMLDXEAASA-N 2 0 323.456 2.569 20 0 DFADRP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1[NH2+]C[C@@H]1CCOC1 ZINC000357338872 428488791 /nfs/dbraw/zinc/48/87/91/428488791.db2.gz BBFPAYWAJSLYSJ-NUJGCVRESA-N 2 0 302.462 2.769 20 0 DFADRP C[C@@H]1C[C@@H](N[C@H]2C[NH2+]CCC2(F)F)CC[N@@H+]1Cc1ccccc1 ZINC000415008012 428489125 /nfs/dbraw/zinc/48/91/25/428489125.db2.gz VLJKWJHOFMYBPG-PVAVHDDUSA-N 2 0 323.431 2.626 20 0 DFADRP CCCOc1ccc(C[N@@H+]2CC[C@H](C)[C@H](C[NH3+])C2)cc1OC ZINC000415129408 428531021 /nfs/dbraw/zinc/53/10/21/428531021.db2.gz PJMJXERAFRBDFU-GOEBONIOSA-N 2 0 306.450 2.901 20 0 DFADRP CC[NH2+]CC1CC[NH+](Cc2cccc3c2OCCCO3)CC1 ZINC000347195829 428490026 /nfs/dbraw/zinc/49/00/26/428490026.db2.gz HGIWYICXNBIMHB-UHFFFAOYSA-N 2 0 304.434 2.669 20 0 DFADRP CCOc1cc(C[NH2+]C[C@H]2CC[C@H](C[NH3+])CC2)ccc1OC ZINC000415020056 428490227 /nfs/dbraw/zinc/49/02/27/428490227.db2.gz GBAUJDWSUBBRPP-SHTZXODSSA-N 2 0 306.450 2.949 20 0 DFADRP C[C@H](CCCC[NH3+])[NH2+]Cc1cc(O)ccc1Br ZINC000415017486 428490832 /nfs/dbraw/zinc/49/08/32/428490832.db2.gz RZDWHRLWJUGLFZ-SNVBAGLBSA-N 2 0 301.228 2.762 20 0 DFADRP C[C@H](CCC[NH3+])[NH2+]Cc1c(F)ccc(Br)c1F ZINC000415019329 428490969 /nfs/dbraw/zinc/49/09/69/428490969.db2.gz IAAZQIWKWHJUBB-MRVPVSSYSA-N 2 0 307.182 2.944 20 0 DFADRP C[C@@H](CCc1ccc(Cl)s1)[NH2+]C[C@@H]1C[NH2+]CCCO1 ZINC000415030433 428492727 /nfs/dbraw/zinc/49/27/27/428492727.db2.gz CKFNMTPUIXVOGC-RYUDHWBXSA-N 2 0 302.871 2.691 20 0 DFADRP [NH3+]C[C@@H]1CC[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC000415028126 428493043 /nfs/dbraw/zinc/49/30/43/428493043.db2.gz CGQGNQZLJCDPNL-KGEPEWOVSA-N 3 0 313.489 2.899 20 0 DFADRP Fc1ccc(/C=C/C[N@@H+]2CC3(CC[NH2+]CC3)[C@@H]3COC[C@@H]32)cc1 ZINC000415132999 428531247 /nfs/dbraw/zinc/53/12/47/428531247.db2.gz BOWJLWXPAVYHRM-MNSDHWDNSA-N 2 0 316.420 2.539 20 0 DFADRP c1cnn(-c2cccc(C[N@@H+]3CCCC[C@@H]3[C@@H]3CC[NH2+]C3)c2)c1 ZINC000415037690 428496767 /nfs/dbraw/zinc/49/67/67/428496767.db2.gz HDBHADHTINBRJS-IEBWSBKVSA-N 2 0 310.445 2.836 20 0 DFADRP CC(C)[N@H+](C)CCN[C@H]1CC[NH+](Cc2ccccc2)C[C@@H]1C ZINC000360933046 428496825 /nfs/dbraw/zinc/49/68/25/428496825.db2.gz IDNJGWJLJCIGHD-HKUYNNGSSA-N 2 0 303.494 2.827 20 0 DFADRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H](C)C[C@@H]2CCCO2)[C@@H](C)C1 ZINC000360932122 428497362 /nfs/dbraw/zinc/49/73/62/428497362.db2.gz YOSUTUSVOIKUKG-MHORFTMASA-N 2 0 312.498 2.671 20 0 DFADRP C[C@H]1C[C@@H](c2ccccc2)C[C@@H]([NH2+]C[C@H]2C[NH2+]CCCO2)C1 ZINC000415041589 428497553 /nfs/dbraw/zinc/49/75/53/428497553.db2.gz PMVGKYFICYGNNJ-WZGPROSRSA-N 2 0 302.462 2.927 20 0 DFADRP Cc1cc(C)c(C[NH2+]C2CCC([NH+]3CCNCC3)CC2)cc1C ZINC000415048150 428501104 /nfs/dbraw/zinc/50/11/04/428501104.db2.gz FSHAPYBBQQFHSJ-UHFFFAOYSA-N 2 0 315.505 2.918 20 0 DFADRP O=c1[nH]c2ccccc2cc1C[N@@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000415053655 428501676 /nfs/dbraw/zinc/50/16/76/428501676.db2.gz OZCYIRZPEAMJJY-CRAIPNDOSA-N 2 0 311.429 2.904 20 0 DFADRP Cc1ccc(C[NH2+]C2CCC([NH+]3CCNCC3)CC2)cc1C ZINC000415055892 428502801 /nfs/dbraw/zinc/50/28/01/428502801.db2.gz PGTKOKVOJZDQLW-UHFFFAOYSA-N 2 0 301.478 2.609 20 0 DFADRP C[C@@H]1C[N@H+](Cc2c[nH]nc2-c2ccc(F)cc2)C[C@@]1(C)C[NH3+] ZINC000415057321 428503017 /nfs/dbraw/zinc/50/30/17/428503017.db2.gz RZNHXHWRPXOQOK-SJKOYZFVSA-N 2 0 302.397 2.633 20 0 DFADRP C[C@@H]1C[N@H+](Cc2cn(C)nc2C2CCCCC2)C[C@@]1(C)C[NH3+] ZINC000415056494 428503053 /nfs/dbraw/zinc/50/30/53/428503053.db2.gz QSGSDASIYMXRJG-RDTXWAMCSA-N 2 0 304.482 2.885 20 0 DFADRP C[C@@H]([NH2+]C1CCC([NH+]2CCNCC2)CC1)[C@H](C)c1ccccc1 ZINC000415055806 428504118 /nfs/dbraw/zinc/50/41/18/428504118.db2.gz OUZQSLARCOYEKK-QREPNTDJSA-N 2 0 315.505 2.985 20 0 DFADRP Cc1ccc([C@@H](C)[NH2+][C@@H](CC(C)C)C(=O)NCC[NH+](C)C)cc1 ZINC000347234441 428504527 /nfs/dbraw/zinc/50/45/27/428504527.db2.gz RPYBFWNTHAOVGW-AEFFLSMTSA-N 2 0 319.493 2.738 20 0 DFADRP CCc1cccc(F)c1C[NH2+]C1CCC(N2CC[NH2+]CC2)CC1 ZINC000415060685 428506135 /nfs/dbraw/zinc/50/61/35/428506135.db2.gz XHNFIQZWXNPWAF-UHFFFAOYSA-N 2 0 319.468 2.694 20 0 DFADRP [NH3+]CC1(O)CC[NH+](Cc2cccc(Oc3ccccc3)c2)CC1 ZINC000397004741 428507132 /nfs/dbraw/zinc/50/71/32/428507132.db2.gz JYDGLHUWEJLFDP-UHFFFAOYSA-N 2 0 312.413 2.765 20 0 DFADRP COc1ccc(C[NH2+]C[C@@H]2CCC[NH2+]C2)c(C(F)(F)F)c1 ZINC000415075064 428510707 /nfs/dbraw/zinc/51/07/07/428510707.db2.gz AXYBJMHWNZYQLO-LLVKDONJSA-N 2 0 302.340 2.803 20 0 DFADRP C[C@@H]1C[C@H](C)[N@H+](Cc2cnn(Cc3ccccc3)c2)C[C@H]1C[NH3+] ZINC000397442234 428510797 /nfs/dbraw/zinc/51/07/97/428510797.db2.gz GFIRWRHMHIDQHP-JTDSTZFVSA-N 2 0 312.461 2.737 20 0 DFADRP CC[C@H](C[N@H+]1C[C@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1)OC ZINC000397498224 428512374 /nfs/dbraw/zinc/51/23/74/428512374.db2.gz DDZXDJOECFOJPN-GUDVDZBRSA-N 2 0 302.462 2.865 20 0 DFADRP C[C@H](C[C@H]1CCC[NH2+]1)[NH2+]Cc1ccc(N2CCC(C)CC2)nc1 ZINC000415081263 428513570 /nfs/dbraw/zinc/51/35/70/428513570.db2.gz KENWPTYXMGUFLQ-SJLPKXTDSA-N 2 0 316.493 2.938 20 0 DFADRP COCc1cc(C[NH2+][C@@H]2CC[N@H+](C)[C@H]3CCC[C@H]32)ccc1F ZINC000353386188 428514234 /nfs/dbraw/zinc/51/42/34/428514234.db2.gz LPVFAOHKCFETMI-JQHSSLGASA-N 2 0 306.425 2.935 20 0 DFADRP C[C@H]([NH2+]C[C@H]1CC[NH2+][C@H](C)C1)c1noc(-c2ccccc2)n1 ZINC000415090857 428514922 /nfs/dbraw/zinc/51/49/22/428514922.db2.gz PKROYCUWDSRHSF-RDBSUJKOSA-N 2 0 300.406 2.775 20 0 DFADRP CC(C)([NH3+])C[NH2+][C@@H]1CCCN(Cc2ccc(F)cc2Cl)C1 ZINC000415087506 428515043 /nfs/dbraw/zinc/51/50/43/428515043.db2.gz UUIGSJQMOBKMQU-CQSZACIVSA-N 2 0 313.848 2.770 20 0 DFADRP C[C@@]1(CN[C@@H]2CCC[NH2+]CC2)CCC[N@@H+]1Cc1ccccc1 ZINC000398016714 428515256 /nfs/dbraw/zinc/51/52/56/428515256.db2.gz RCOSFLOMLNYRFS-MOPGFXCFSA-N 2 0 301.478 2.773 20 0 DFADRP COCCOc1ccccc1C[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000415088104 428515483 /nfs/dbraw/zinc/51/54/83/428515483.db2.gz XAFKFRMBUXUZDX-KZNAEPCWSA-N 2 0 318.461 2.722 20 0 DFADRP C[C@@H]([NH2+]Cc1cc(F)cc(Br)c1)[C@H]1CC[NH2+]C1 ZINC000415090290 428515604 /nfs/dbraw/zinc/51/56/04/428515604.db2.gz YWUIJYLGPTYXQL-KOLCDFICSA-N 2 0 301.203 2.676 20 0 DFADRP CC(C)CC(=O)N1CCC([NH2+][C@@H](C)C[C@H]2CCCCC[NH2+]2)CC1 ZINC000415085769 428515618 /nfs/dbraw/zinc/51/56/18/428515618.db2.gz QUZBRVMGWQKPEV-FUHWJXTLSA-N 2 0 323.525 2.924 20 0 DFADRP C[C@H]([NH2+][C@H]1CCCN(c2ccccc2Cl)C1)[C@@H]1CC[NH2+]C1 ZINC000415090813 428515891 /nfs/dbraw/zinc/51/58/91/428515891.db2.gz ZQIJZSGEBUBFDR-ZNMIVQPWSA-N 2 0 307.869 2.896 20 0 DFADRP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)CCC(C)(C)[NH3+] ZINC000398084365 428518227 /nfs/dbraw/zinc/51/82/27/428518227.db2.gz SXNMURRJYRLERS-DOTOQJQBSA-N 2 0 317.477 2.531 20 0 DFADRP C[C@@H]1C[N@H+](C)CC[C@H]1NC[C@@]1(C)CCC[NH+]1Cc1ccccc1 ZINC000398052115 428518390 /nfs/dbraw/zinc/51/83/90/428518390.db2.gz GHSNASDCFISWEH-MISYRCLQSA-N 2 0 315.505 2.971 20 0 DFADRP COc1ccc(-c2n[nH]cc2C[N@@H+]2CC[C@@H](C)[C@H](C[NH3+])C2)cc1 ZINC000415100917 428518455 /nfs/dbraw/zinc/51/84/55/428518455.db2.gz AUJOYUJRZUCUGT-UKRRQHHQSA-N 2 0 314.433 2.502 20 0 DFADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NCCC[NH2+]C1CC1 ZINC000398063653 428518743 /nfs/dbraw/zinc/51/87/43/428518743.db2.gz XCMANEWGDKNIED-APWZRJJASA-N 2 0 301.478 2.629 20 0 DFADRP C[N@@H+]1CC[C@H]([NH2+]Cc2ccc(Cn3ccnc3)cc2)[C@H]2CCC[C@H]21 ZINC000353402449 428520084 /nfs/dbraw/zinc/52/00/84/428520084.db2.gz JACXNCVHVAXUKE-HSALFYBXSA-N 3 0 324.472 2.894 20 0 DFADRP C[C@H](Cc1ccccc1Br)[NH2+][C@H](C)[C@H]1CC[NH2+]C1 ZINC000415115307 428523988 /nfs/dbraw/zinc/52/39/88/428523988.db2.gz GXZPAHXQPDVPHB-BZPMIXESSA-N 2 0 311.267 2.968 20 0 DFADRP C[N@@H+](Cc1cnc2ccc(Cl)cn12)CC1CC[NH+](C)CC1 ZINC000353423695 428532006 /nfs/dbraw/zinc/53/20/06/428532006.db2.gz RFWIMFMSOQTGBA-UHFFFAOYSA-N 2 0 306.841 2.761 20 0 DFADRP CCOc1ccc(C[NH+]2CCC([C@H]3OCCC[C@@H]3[NH3+])CC2)cc1 ZINC000415118704 428526088 /nfs/dbraw/zinc/52/60/88/428526088.db2.gz DVXGFLBJGQIEFV-RBUKOAKNSA-N 2 0 318.461 2.804 20 0 DFADRP CC[NH+]1CCN(c2ccc(NC[C@H]([NH3+])CC(C)C)c(C)c2)CC1 ZINC000415122990 428528800 /nfs/dbraw/zinc/52/88/00/428528800.db2.gz OWQYZIJSNFNTEQ-QGZVFWFLSA-N 2 0 318.509 2.922 20 0 DFADRP CCOc1ccccc1C[NH+]1CCC([C@H]2C[C@H]([NH3+])CCO2)CC1 ZINC000415121999 428529763 /nfs/dbraw/zinc/52/97/63/428529763.db2.gz JBGCYUSNIRUXAT-IEBWSBKVSA-N 2 0 318.461 2.804 20 0 DFADRP CC[C@H](C[N@@H+]1CCC[C@H](n2cc(C[NH3+])nn2)C1)c1ccccc1 ZINC000415126442 428530177 /nfs/dbraw/zinc/53/01/77/428530177.db2.gz MDKHXFYVQCZCJE-QAPCUYQASA-N 2 0 313.449 2.568 20 0 DFADRP COCC1(C[NH2+]Cc2cc3cc(F)ccc3o2)CC[NH2+]CC1 ZINC000414967050 428474415 /nfs/dbraw/zinc/47/44/15/428474415.db2.gz CTKQGFIHAMMTNH-UHFFFAOYSA-N 2 0 306.381 2.678 20 0 DFADRP Clc1ccc(C[NH2+]CCC[C@@H]2CCC[NH2+]2)c(-n2cncn2)c1 ZINC000414970337 428477084 /nfs/dbraw/zinc/47/70/84/428477084.db2.gz URTVUWWFULLQRY-OAHLLOKOSA-N 2 0 319.840 2.543 20 0 DFADRP O=C(CC[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1)Nc1ccccc1F ZINC000391141997 428477132 /nfs/dbraw/zinc/47/71/32/428477132.db2.gz SIPOOOZTSWAMGL-GDBMZVCRSA-N 2 0 319.424 2.618 20 0 DFADRP CC[C@@H](Cc1ccc(C)cc1)[NH2+]CC1(COC)CC[NH2+]CC1 ZINC000414974114 428477398 /nfs/dbraw/zinc/47/73/98/428477398.db2.gz LWEXMERSDYWIAL-SFHVURJKSA-N 2 0 304.478 2.922 20 0 DFADRP COC1(C[NH+]2CCC(CCC[NH+]3CCOCC3)CC2)CCCC1 ZINC000361590401 428580251 /nfs/dbraw/zinc/58/02/51/428580251.db2.gz YUFRHJAAVJPMFG-UHFFFAOYSA-N 2 0 324.509 2.770 20 0 DFADRP CC[N@@H+]1CC[C@H]([NH+](C)C[C@@H](O)CCc2ccccc2)C[C@H]1C ZINC000347441577 428580285 /nfs/dbraw/zinc/58/02/85/428580285.db2.gz PCPAZOPTUVCFJF-NEWSRXKRSA-N 2 0 304.478 2.785 20 0 DFADRP CC[C@H]([NH2+]C[C@H](C)N1CCCC[C@H]1C)C1(C(=O)OC)CCC1 ZINC000353547056 428586932 /nfs/dbraw/zinc/58/69/32/428586932.db2.gz YCIOFVVFLUSBBB-PMPSAXMXSA-N 2 0 310.482 2.961 20 0 DFADRP C[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]([NH3+])C(C)(C)C)[C@H]1c1cccs1 ZINC000361718244 428590369 /nfs/dbraw/zinc/59/03/69/428590369.db2.gz MEFNSMFZCGSMIG-AEGPPILISA-N 2 0 323.506 2.621 20 0 DFADRP [NH3+][C@H]1CCO[C@@H](C2CC[NH+](Cc3cccc(F)c3F)CC2)C1 ZINC000415128940 428532868 /nfs/dbraw/zinc/53/28/68/428532868.db2.gz SWBPUYPGQJOVEI-GOEBONIOSA-N 2 0 310.388 2.683 20 0 DFADRP C[C@H]1CC[N@H+](Cc2c[nH]nc2-c2ccc(F)cc2)C[C@@H]1C[NH3+] ZINC000415129310 428533193 /nfs/dbraw/zinc/53/31/93/428533193.db2.gz PEKSFAKZPRKCJT-JSGCOSHPSA-N 2 0 302.397 2.633 20 0 DFADRP CC[C@@H]1CCC[C@@H](C[N@@H+]2CC3(CC[NH2+]CC3)[C@@H]3COC[C@@H]32)C1 ZINC000415136395 428534171 /nfs/dbraw/zinc/53/41/71/428534171.db2.gz HIGIRUIPYTXUKO-TVFCKZIOSA-N 2 0 306.494 2.903 20 0 DFADRP C[N@@H+]1CC[C@H]([NH2+]Cc2cccc(Cn3ccnc3)c2)[C@@H]2CCC[C@H]21 ZINC000353439350 428536103 /nfs/dbraw/zinc/53/61/03/428536103.db2.gz WRSLWCZLDRNOTQ-SLFFLAALSA-N 2 0 324.472 2.894 20 0 DFADRP COc1ncccc1C[NH+]1CCC2(C[C@@H]2C[N@H+](C)C2CC2)CC1 ZINC000373286110 428539357 /nfs/dbraw/zinc/53/93/57/428539357.db2.gz QRUKCWUFGDJLQA-MRXNPFEDSA-N 2 0 315.461 2.787 20 0 DFADRP COc1ncccc1C[NH+]1CCC2(C[C@H]2C[N@H+](C)C2CC2)CC1 ZINC000373286109 428540299 /nfs/dbraw/zinc/54/02/99/428540299.db2.gz QRUKCWUFGDJLQA-INIZCTEOSA-N 2 0 315.461 2.787 20 0 DFADRP CO[C@H](C[NH2+]C[C@H]1CCC[N@H+](Cc2ccccc2)C1)C1CC1 ZINC000400169988 428542546 /nfs/dbraw/zinc/54/25/46/428542546.db2.gz KDHZROAOKIKLHH-IEBWSBKVSA-N 2 0 302.462 2.913 20 0 DFADRP CN(C)[C@H](C[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@@H]21)c1ccc(F)cc1 ZINC000353454989 428544275 /nfs/dbraw/zinc/54/42/75/428544275.db2.gz NBWYLIVALMNSSD-NCXUSEDFSA-N 2 0 319.468 2.891 20 0 DFADRP C[N@H+](CCCN[C@@H]1CC[NH+](C)[C@H]2CCC[C@@H]21)Cc1ccccc1 ZINC000353456684 428544335 /nfs/dbraw/zinc/54/43/35/428544335.db2.gz WFTAPSKLBFCPSO-AQNXPRMDSA-N 3 0 315.505 2.971 20 0 DFADRP CN(C)[C@H](C[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@H]21)c1ccc(F)cc1 ZINC000353454991 428545938 /nfs/dbraw/zinc/54/59/38/428545938.db2.gz NBWYLIVALMNSSD-ZSYWTGECSA-N 2 0 319.468 2.891 20 0 DFADRP COCCOc1cccc(C[NH2+]C2CCC([NH+](C)C)CC2)c1 ZINC000353455446 428546426 /nfs/dbraw/zinc/54/64/26/428546426.db2.gz QSGFPKKZFBTZQS-UHFFFAOYSA-N 2 0 306.450 2.674 20 0 DFADRP CN(C)[C@H](C[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@@H]21)c1cccc(F)c1 ZINC000353460270 428548653 /nfs/dbraw/zinc/54/86/53/428548653.db2.gz KQDPKXVKBSSYCX-NCXUSEDFSA-N 2 0 319.468 2.891 20 0 DFADRP Brc1ccccc1C[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000400979148 428550408 /nfs/dbraw/zinc/55/04/08/428550408.db2.gz HTDCQMVOJHAYEY-FPMFFAJLSA-N 2 0 309.251 2.927 20 0 DFADRP Brc1ccc(C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)s1 ZINC000401017401 428551627 /nfs/dbraw/zinc/55/16/27/428551627.db2.gz OWBQFLSLILCFMK-GMTAPVOTSA-N 2 0 315.280 2.988 20 0 DFADRP C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)[C@@H](N)c2ccccc2)C1 ZINC000353475958 428552969 /nfs/dbraw/zinc/55/29/69/428552969.db2.gz YECJUSSOFNBDHU-MNEFBYGVSA-N 2 0 323.440 2.638 20 0 DFADRP C[C@@H](c1cnccn1)[NH+]1CCC2(C[C@@H]2C[N@H+](C)C2CC2)CC1 ZINC000373352347 428553767 /nfs/dbraw/zinc/55/37/67/428553767.db2.gz DVHHIXIMXIPERB-LSDHHAIUSA-N 2 0 300.450 2.734 20 0 DFADRP C[N@@H+]1CCCC[C@H]1CC[NH+]1CCC(OC[C@H]2CCCO2)CC1 ZINC000361330984 428559569 /nfs/dbraw/zinc/55/95/69/428559569.db2.gz LMUYKBUJIDIVDA-FUHWJXTLSA-N 2 0 310.482 2.521 20 0 DFADRP Cc1cncc(CC[NH2+][C@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)n1 ZINC000402708800 428561169 /nfs/dbraw/zinc/56/11/69/428561169.db2.gz RJMJHNKAOUZYTJ-MJGOQNOKSA-N 2 0 324.472 2.828 20 0 DFADRP CC(C)[NH+](C/C=C\C[N@@H+](C(C)C)[C@@H]1CCOC1)[C@@H]1CCOC1 ZINC000361409249 428566070 /nfs/dbraw/zinc/56/60/70/428566070.db2.gz UIQMLPWCKRSOLS-OSFIAYCASA-N 2 0 310.482 2.541 20 0 DFADRP CC(C)[NH+](C/C=C/C[N@@H+](C(C)C)[C@@H]1CCOC1)[C@@H]1CCOC1 ZINC000361409250 428566344 /nfs/dbraw/zinc/56/63/44/428566344.db2.gz UIQMLPWCKRSOLS-PJHKVULZSA-N 2 0 310.482 2.541 20 0 DFADRP C[C@@H]1CN(C(=O)CC(C)(C)[NH3+])[C@H](C)[C@@H](C)[N@@H+]1Cc1ccccc1 ZINC000404312082 428566807 /nfs/dbraw/zinc/56/68/07/428566807.db2.gz LYDMWZRGPKOCJW-BZUAXINKSA-N 2 0 317.477 2.624 20 0 DFADRP C[C@H]1CCC[N@H+](CCC(=O)Nc2cccc(F)c2)[C@@H]1CC[NH3+] ZINC000404311290 428567269 /nfs/dbraw/zinc/56/72/69/428567269.db2.gz WPLXBCUCUYVLEB-XJKSGUPXSA-N 2 0 307.413 2.604 20 0 DFADRP C[N@@H+]1CC[C@H]([NH2+]CCc2ccn(-c3ccccc3)n2)[C@H]2CCC[C@@H]21 ZINC000353498746 428568646 /nfs/dbraw/zinc/56/86/46/428568646.db2.gz BLVMAXFSZVHFNQ-AABGKKOBSA-N 2 0 324.472 2.877 20 0 DFADRP CC[N@H+](CC(=O)N[C@@H](C)[C@H](c1ccccc1C)[NH+](C)C)C1CC1 ZINC000357876104 428570748 /nfs/dbraw/zinc/57/07/48/428570748.db2.gz SKJGTSLHCIGHME-HNAYVOBHSA-N 2 0 317.477 2.587 20 0 DFADRP COc1cc(C[N@@H+]2CCC[C@H](C)[C@H]2CC[NH3+])cc(OC)c1OC ZINC000404453833 428571290 /nfs/dbraw/zinc/57/12/90/428571290.db2.gz ZZHFAHSFIPWKDR-DZGCQCFKSA-N 2 0 322.449 2.662 20 0 DFADRP C[N@@H+]1CC[C@H](N[C@@H]2CC[NH+](CC3CCCC3)C2)[C@H]2CCC[C@@H]21 ZINC000353515268 428571799 /nfs/dbraw/zinc/57/17/99/428571799.db2.gz DGNLMMDKTKEXMB-YRXWBPOGSA-N 2 0 305.510 2.713 20 0 DFADRP COCCNc1ccc(C[NH2+][C@@H]2CC[N@H+](C)[C@H]3CCC[C@H]32)cc1 ZINC000353513128 428572674 /nfs/dbraw/zinc/57/26/74/428572674.db2.gz FBEQMRSVUYKSTK-OTWHNJEPSA-N 2 0 317.477 2.707 20 0 DFADRP Cc1cn2c(n1)[C@H](C[NH2+][C@@H]1CC[N@@H+](C)[C@H]3CCC[C@@H]31)CCC2 ZINC000353522071 428575484 /nfs/dbraw/zinc/57/54/84/428575484.db2.gz UAWHLLGVVQKFTC-HZMVEIRTSA-N 2 0 302.466 2.531 20 0 DFADRP CCN1C[C@H]([NH2+]CC(C)(C)N2CCc3ccccc3C2)[C@@H](C)C1 ZINC000358022727 428576747 /nfs/dbraw/zinc/57/67/47/428576747.db2.gz XLNULBMTJQDNHT-LPHOPBHVSA-N 2 0 315.505 2.753 20 0 DFADRP CSc1ccccc1C[N@@H+]1CC[C@@H](CN2CCOCC2)C1 ZINC000358041010 428576926 /nfs/dbraw/zinc/57/69/26/428576926.db2.gz WTJLWXCPPUXSNI-HNNXBMFYSA-N 2 0 306.475 2.563 20 0 DFADRP C[C@@H]1C[C@H]1c1ccc(C[NH+]2CCC(OCC[NH+](C)C)CC2)o1 ZINC000353564525 428596361 /nfs/dbraw/zinc/59/63/61/428596361.db2.gz CSAQEACUONPNGE-RHSMWYFYSA-N 2 0 306.450 2.946 20 0 DFADRP C[C@@H](CNC(=O)C1(C[NH+](C)C)CCCCC1)[NH+]1CCC(C)CC1 ZINC000358628536 428613889 /nfs/dbraw/zinc/61/38/89/428613889.db2.gz KXPOMUWDTFMWAV-KRWDZBQOSA-N 2 0 323.525 2.735 20 0 DFADRP COC(=O)C[C@@H]1CC[C@@H]([NH2+]CC2(C[NH+](C)C)CCCC2)[C@@H]1C ZINC000354621688 273980480 /nfs/dbraw/zinc/98/04/80/273980480.db2.gz ASORJDUIYTUKIN-OWCLPIDISA-N 2 0 310.482 2.676 20 0 DFADRP [NH3+]Cc1ccc(NC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000415958979 428634546 /nfs/dbraw/zinc/63/45/46/428634546.db2.gz OPIQVNXYCKFDBU-GOSISDBHSA-N 2 0 324.428 2.541 20 0 DFADRP O[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+][C@H]2CCC[C@H]2CCF)CC1 ZINC000353611722 428619475 /nfs/dbraw/zinc/61/94/75/428619475.db2.gz FAKRDBCUZVVCKR-LEUOFYLZSA-N 2 0 312.473 2.872 20 0 DFADRP CC[NH2+]Cc1cccc(NC(=O)N(C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)c1 ZINC000415907125 428621924 /nfs/dbraw/zinc/62/19/24/428621924.db2.gz MODOEPYQSURERY-WMLDXEAASA-N 2 0 318.465 2.743 20 0 DFADRP CC[NH2+]Cc1cccc(NC(=O)N(C)[C@H]2CC[N@H+](C)[C@@H](C)C2)c1 ZINC000415907362 428622035 /nfs/dbraw/zinc/62/20/35/428622035.db2.gz MODOEPYQSURERY-YOEHRIQHSA-N 2 0 318.465 2.743 20 0 DFADRP CC[NH2+]Cc1ccccc1NC(=O)NCC1(C)CC[NH+](C)CC1 ZINC000415912327 428625248 /nfs/dbraw/zinc/62/52/48/428625248.db2.gz GIPUOVXINNXESD-UHFFFAOYSA-N 2 0 318.465 2.650 20 0 DFADRP C[NH2+]Cc1ccccc1NC(=O)NC[C@H]1[N@H+](C)CCCC1(C)C ZINC000415917228 428626709 /nfs/dbraw/zinc/62/67/09/428626709.db2.gz CJOCKFREMNBATP-MRXNPFEDSA-N 2 0 318.465 2.648 20 0 DFADRP CC[NH2+]Cc1cccc(NC(=O)N2CC[NH+]([C@@H](C)CC)CC2)c1 ZINC000415930334 428627878 /nfs/dbraw/zinc/62/78/78/428627878.db2.gz INVPFVYBUDPIFB-HNNXBMFYSA-N 2 0 318.465 2.744 20 0 DFADRP CC[NH2+]Cc1cccc(NC(=O)N2CC[N@H+](C)[C@@H](C(C)C)C2)c1 ZINC000415924370 428627920 /nfs/dbraw/zinc/62/79/20/428627920.db2.gz WISYBMRZJAHSNO-QGZVFWFLSA-N 2 0 318.465 2.600 20 0 DFADRP C[C@@H]([NH2+]Cc1ccncc1OCC[NH+](C)C)C1CCSCC1 ZINC000343934104 428596018 /nfs/dbraw/zinc/59/60/18/428596018.db2.gz NQIDFMGEMPYGOI-CQSZACIVSA-N 2 0 323.506 2.643 20 0 DFADRP C[C@H]1C[C@@H]([NH2+]CC2CC[NH+](C)CC2)CCN1Cc1ccccc1 ZINC000358711936 428636736 /nfs/dbraw/zinc/63/67/36/428636736.db2.gz DSFYQRWAVMORPY-PXNSSMCTSA-N 2 0 315.505 2.971 20 0 DFADRP CC1(C)CN(C2(C[NH2+]C[C@H]3CCCOC3)CCCCC2)CCO1 ZINC000344410609 428638941 /nfs/dbraw/zinc/63/89/41/428638941.db2.gz QVSGPEBZXYFAQZ-QGZVFWFLSA-N 2 0 324.509 2.816 20 0 DFADRP CC[N@@H+]1CC[C@H](N(C)C(=O)Nc2ccc(C[NH2+]C)cc2)[C@@H](C)C1 ZINC000415980131 428639100 /nfs/dbraw/zinc/63/91/00/428639100.db2.gz FWJJWEQBCMMOAS-YOEHRIQHSA-N 2 0 318.465 2.600 20 0 DFADRP COCC[C@H](COC)[NH2+]C1CC[NH+]([C@@H]2CCC[C@@H](C)C2)CC1 ZINC000353649780 428639215 /nfs/dbraw/zinc/63/92/15/428639215.db2.gz ORFOPARTUMYOND-KBAYOESNSA-N 2 0 312.498 2.671 20 0 DFADRP C[NH2+]Cc1ccc(NC(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)cc1 ZINC000415973857 428640095 /nfs/dbraw/zinc/64/00/95/428640095.db2.gz PIBQFTMEIYLGRS-ZDUSSCGKSA-N 2 0 306.454 2.504 20 0 DFADRP CC(C)(C)CC[NH+]1CCN(C(=O)Nc2ccc(C[NH3+])cc2)CC1 ZINC000415983030 428641332 /nfs/dbraw/zinc/64/13/32/428641332.db2.gz YNFPIFMVYASEID-UHFFFAOYSA-N 2 0 318.465 2.731 20 0 DFADRP CC[NH2+]Cc1ccccc1NC(=O)NC1CC[NH+](C(C)C)CC1 ZINC000415948858 428635087 /nfs/dbraw/zinc/63/50/87/428635087.db2.gz YVVOWDBDQWGAGG-UHFFFAOYSA-N 2 0 318.465 2.790 20 0 DFADRP CC[N@H+](CCC1CC[NH+](CCn2cccn2)CC1)CC(C)C ZINC000358739955 428650564 /nfs/dbraw/zinc/65/05/64/428650564.db2.gz VBHYNRDABJGXNH-UHFFFAOYSA-N 2 0 306.498 2.963 20 0 DFADRP CC[N@H+](CCC1CC[NH+]([C@@H](C)C(=O)N(C)C)CC1)CC(C)C ZINC000358742470 428651477 /nfs/dbraw/zinc/65/14/77/428651477.db2.gz FFZXFQZODLPBTJ-INIZCTEOSA-N 2 0 311.514 2.543 20 0 DFADRP C[C@H]([NH2+][C@@H]1CCn2ccnc2C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000348184469 428646458 /nfs/dbraw/zinc/64/64/58/428646458.db2.gz GSGRSMYEERAZHC-QXAKKESOSA-N 2 0 324.472 2.698 20 0 DFADRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N1CCC([NH+]2CCC[C@@H]2C)CC1 ZINC000362217160 428664681 /nfs/dbraw/zinc/66/46/81/428664681.db2.gz FQAPGUSJBBXVRF-FUHWJXTLSA-N 2 0 321.509 2.725 20 0 DFADRP c1cc(COc2ccc(CN3C[C@@H]4[NH2+]CCC[C@H]4C3)cc2)ccn1 ZINC000353690898 428659501 /nfs/dbraw/zinc/65/95/01/428659501.db2.gz SIHNUSWSXOAGNU-ICSRJNTNSA-N 2 0 323.440 2.844 20 0 DFADRP CC[C@H](C(=O)OC(C)(C)C)[N@@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000374073903 428661798 /nfs/dbraw/zinc/66/17/98/428661798.db2.gz FYUVQCVRXKCTKT-OAHLLOKOSA-N 2 0 310.482 2.915 20 0 DFADRP COc1ccc2c(c1)CC[N@@H+](CC[C@H]1CCCC[NH+]1C)CC2 ZINC000374387752 428676445 /nfs/dbraw/zinc/67/64/45/428676445.db2.gz QTDWBTQRBDDRJS-GOSISDBHSA-N 2 0 302.462 2.970 20 0 DFADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1[NH2+]C1CCN(c2ccccc2)CC1 ZINC000132759371 274339580 /nfs/dbraw/zinc/33/95/80/274339580.db2.gz VKSMLXDIROHMOO-JTDSTZFVSA-N 2 0 301.478 2.974 20 0 DFADRP CC[C@H]1C[N@H+](CC)CCN1C(=O)C[C@@H](c1ccccc1)[NH+](C)C ZINC000416242214 428697722 /nfs/dbraw/zinc/69/77/22/428697722.db2.gz FHXIWBNUZWEZKP-ROUUACIJSA-N 2 0 317.477 2.622 20 0 DFADRP Cc1cc(F)ccc1[C@H](O)C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000374564669 428697936 /nfs/dbraw/zinc/69/79/36/428697936.db2.gz WFJYNUNHNFBENB-FHLIZLRMSA-N 2 0 306.425 2.584 20 0 DFADRP C[C@@H]1C[C@H](N(C)Cc2cnc([C@H]3CCCO3)s2)CC[N@@H+]1C ZINC000353756580 428698407 /nfs/dbraw/zinc/69/84/07/428698407.db2.gz WDZXKVSIAGZQRH-UMVBOHGHSA-N 2 0 309.479 2.909 20 0 DFADRP C[NH+](C)[C@H](CC(=O)NCC[C@@H]1CCC[N@H+](C)C1)c1ccccc1 ZINC000416253134 428703228 /nfs/dbraw/zinc/70/32/28/428703228.db2.gz QNPAYKVNJTYJBB-FUHWJXTLSA-N 2 0 317.477 2.528 20 0 DFADRP Cn1cc(-c2ccc(C[NH2+][C@H]3CC[N@@H+]4CCC[C@@H]4C3)s2)cn1 ZINC000374587197 428704549 /nfs/dbraw/zinc/70/45/49/428704549.db2.gz RTPWOCRCBOVYKD-LSDHHAIUSA-N 2 0 316.474 2.865 20 0 DFADRP Cn1cc(-c2ccc(C[NH2+][C@@H]3CC[N@@H+]4CCC[C@@H]4C3)s2)cn1 ZINC000374587196 428705271 /nfs/dbraw/zinc/70/52/71/428705271.db2.gz RTPWOCRCBOVYKD-HUUCEWRRSA-N 2 0 316.474 2.865 20 0 DFADRP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NCCC[N@H+](C)C1CCCCC1 ZINC000344805171 428707921 /nfs/dbraw/zinc/70/79/21/428707921.db2.gz DKQSDAIRQBOWSJ-HZPDHXFCSA-N 2 0 309.498 2.630 20 0 DFADRP C[C@@H](C(=O)N(CC[NH+](C)C)C1CCCC1)[NH+]1CCCCCC1 ZINC000353781447 428711397 /nfs/dbraw/zinc/71/13/97/428711397.db2.gz WTNZNZKIUXXCFM-INIZCTEOSA-N 2 0 309.498 2.584 20 0 DFADRP OC[C@H](C[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccccc1Cl ZINC000348374811 428723399 /nfs/dbraw/zinc/72/33/99/428723399.db2.gz ACQFYUFBGSHKMM-ZNMIVQPWSA-N 2 0 308.853 2.632 20 0 DFADRP C[N@@H+]1CC[C@H]([NH2+]Cc2ccc(C[S@](C)=O)cc2)[C@@H]2CCC[C@@H]21 ZINC000353806047 428726649 /nfs/dbraw/zinc/72/66/49/428726649.db2.gz PFYZJBQVVJLGED-ORGXJRBJSA-N 2 0 320.502 2.528 20 0 DFADRP C[NH+](C)Cc1ccc(C(=O)NC[C@H]2[N@H+](C)CCCC2(C)C)cc1 ZINC000344643690 428688905 /nfs/dbraw/zinc/68/89/05/428688905.db2.gz NBAOJGVWLPEKEM-QGZVFWFLSA-N 2 0 317.477 2.598 20 0 DFADRP CC[N@@H+]1CC[C@H](N(C)Cc2ccc(C(=O)OC)cc2)C[C@H]1C ZINC000353749783 428692672 /nfs/dbraw/zinc/69/26/72/428692672.db2.gz MLQRGCZECRRLGM-PBHICJAKSA-N 2 0 304.434 2.778 20 0 DFADRP CC[NH+](CC)C[C@H](C)NC(=O)c1cccc(C[NH+]2CCCC2)c1 ZINC000344685293 428693983 /nfs/dbraw/zinc/69/39/83/428693983.db2.gz QNACRPOODYSCOU-INIZCTEOSA-N 2 0 317.477 2.743 20 0 DFADRP CC(C)[NH+]1CCN([C@H]2CC[N@H+](C[C@H]3CCCC[C@H]3C)C2)CC1 ZINC000374964194 428792607 /nfs/dbraw/zinc/79/26/07/428792607.db2.gz PIKOGIWCKXBGFI-QRVBRYPASA-N 2 0 307.526 2.913 20 0 DFADRP C[N@@H+]1CCC[C@@H]2C[NH+](CCN3CCCc4ccccc43)CC[C@H]21 ZINC000362471412 428759593 /nfs/dbraw/zinc/75/95/93/428759593.db2.gz RTFPNCSXUYPFJV-RTBURBONSA-N 2 0 313.489 2.855 20 0 DFADRP CCCc1cccc(C[NH2+][C@@H](C)CCN2CC[NH+](C)CC2)c1 ZINC000358980346 428759839 /nfs/dbraw/zinc/75/98/39/428759839.db2.gz HSFSMNIYUWWKPH-KRWDZBQOSA-N 2 0 303.494 2.755 20 0 DFADRP CCCNC(=O)CCC[N@@H+]1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000411227589 428761509 /nfs/dbraw/zinc/76/15/09/428761509.db2.gz VGMRUDDIBKXKSP-GOSISDBHSA-N 2 0 323.525 2.737 20 0 DFADRP CC[C@H]1COCC[NH+]1CCC(C)CC[N@H+]1CCOC[C@@H]1CC ZINC000411277183 428768652 /nfs/dbraw/zinc/76/86/52/428768652.db2.gz VQRMBMFNEANQMG-ROUUACIJSA-N 2 0 312.498 2.624 20 0 DFADRP C[NH+](C)CCN1CCC([NH2+]Cc2cc(F)cc(Cl)c2)CC1 ZINC000362504601 428775033 /nfs/dbraw/zinc/77/50/33/428775033.db2.gz JIDBMBVVCAPYOS-UHFFFAOYSA-N 2 0 313.848 2.595 20 0 DFADRP CC[NH+]1CCN([C@H](C)C[NH2+]Cc2cc(F)cc(Cl)c2)CC1 ZINC000362517122 428781607 /nfs/dbraw/zinc/78/16/07/428781607.db2.gz WJYGBFHCILWEOX-CYBMUJFWSA-N 2 0 313.848 2.595 20 0 DFADRP CCOC[C@@H]1CCC[C@H]1[NH2+]Cc1ccc(OCC[NH+](C)C)cc1 ZINC000353941255 428786240 /nfs/dbraw/zinc/78/62/40/428786240.db2.gz FTNNBRLSJNTRGQ-PKOBYXMFSA-N 2 0 320.477 2.922 20 0 DFADRP C[C@H]([NH2+]CCC1CC(O)C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000348417457 428738862 /nfs/dbraw/zinc/73/88/62/428738862.db2.gz UNHDCQZJXOOJBQ-WEOZKBJRSA-N 2 0 302.462 2.648 20 0 DFADRP CC(C)[NH+]1CCN([C@@H]2CC[N@H+](C[C@@H]3CCCC[C@H]3C)C2)CC1 ZINC000374964192 428792456 /nfs/dbraw/zinc/79/24/56/428792456.db2.gz PIKOGIWCKXBGFI-CEXWTWQISA-N 2 0 307.526 2.913 20 0 DFADRP C[C@@H](CC[NH+](C)C[C@@H]1CCCO1)CC[N@H+](C)C[C@H]1CCCO1 ZINC000411172777 428751582 /nfs/dbraw/zinc/75/15/82/428751582.db2.gz NAIGNAFJLKHERV-NNZMDNLPSA-N 2 0 312.498 2.624 20 0 DFADRP CC(C)[C@@](C)([NH2+]Cc1ccc(C[NH+]2CCCCC2)cc1)C(N)=O ZINC000411726512 428849141 /nfs/dbraw/zinc/84/91/41/428849141.db2.gz KWKJUTGDMGEOLO-LJQANCHMSA-N 2 0 317.477 2.662 20 0 DFADRP CC(C)[N@H+](C)CC(=O)NC1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000363061078 428851380 /nfs/dbraw/zinc/85/13/80/428851380.db2.gz HRICDOQTOJZHSJ-INIZCTEOSA-N 2 0 317.477 2.668 20 0 DFADRP CC[NH+]1CCC(NC(=O)C[NH2+][C@@H](C)c2ccc(C)c(C)c2)CC1 ZINC000411445479 428800980 /nfs/dbraw/zinc/80/09/80/428800980.db2.gz NALNVIZNWFAWQQ-INIZCTEOSA-N 2 0 317.477 2.555 20 0 DFADRP CCCC[C@H]1CCC[C@H]1[NH2+]CC(=O)NC1CC[NH+](CC)CC1 ZINC000411522184 428812141 /nfs/dbraw/zinc/81/21/41/428812141.db2.gz VRWYCAOGRMZWHO-DOTOQJQBSA-N 2 0 309.498 2.535 20 0 DFADRP O[C@@H]1C[N@H+](Cc2ccc(C[NH+]3CCCCC3)cc2)CC12CC2 ZINC000411573619 428819265 /nfs/dbraw/zinc/81/92/65/428819265.db2.gz SLDQIXUQCYFYQW-GOSISDBHSA-N 2 0 300.446 2.629 20 0 DFADRP CC[NH+](CC)C[C@H]1CCCC[C@@H]1NC(=O)CC1CC[NH+](C)CC1 ZINC000362952298 428820621 /nfs/dbraw/zinc/82/06/21/428820621.db2.gz QQGURKIKZLAWQC-MSOLQXFVSA-N 2 0 323.525 2.735 20 0 DFADRP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1NC(=O)CC1CC[NH+](C)CC1 ZINC000362952300 428821018 /nfs/dbraw/zinc/82/10/18/428821018.db2.gz QQGURKIKZLAWQC-ROUUACIJSA-N 2 0 323.525 2.735 20 0 DFADRP CCC[NH+](CCC)CCCC(=O)N1CCCC2(CC[NH2+]CC2)C1 ZINC000375253109 428835180 /nfs/dbraw/zinc/83/51/80/428835180.db2.gz QPYKNKMZDUJDEB-UHFFFAOYSA-N 2 0 323.525 2.881 20 0 DFADRP C[C@@H]1CC[C@@H](CC(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)C1 ZINC000345300499 428836718 /nfs/dbraw/zinc/83/67/18/428836718.db2.gz XKTGGCMXPXIOSR-IAGOWNOFSA-N 2 0 311.514 2.545 20 0 DFADRP CCCn1cc(C[NH+]2CCC(OCC[NH+](CC)CC)CC2)cn1 ZINC000354045116 428839129 /nfs/dbraw/zinc/83/91/29/428839129.db2.gz QGDWLZYNEQWCIE-UHFFFAOYSA-N 2 0 322.497 2.616 20 0 DFADRP C[C@H]([NH3+])[C@H]1CCCCN1C(=O)NCCCC[N@@H+]1CCCC[C@@H]1C ZINC000417047397 428844765 /nfs/dbraw/zinc/84/47/65/428844765.db2.gz QKIWQBCAOPDKAY-YESZJQIVSA-N 2 0 324.513 2.552 20 0 DFADRP C[NH+](C)CCOCC[NH2+]Cc1ccc(-c2ccccc2F)o1 ZINC000354197390 428910054 /nfs/dbraw/zinc/91/00/54/428910054.db2.gz ZPDCWABXJSMIIV-UHFFFAOYSA-N 2 0 306.381 2.754 20 0 DFADRP CC[NH+](CC)CCO[C@H]1CC[N@H+](Cc2ccc(OC)c(C)c2)C1 ZINC000354095948 428860446 /nfs/dbraw/zinc/86/04/46/428860446.db2.gz GDTHFNYNMQXKNP-SFHVURJKSA-N 2 0 320.477 2.936 20 0 DFADRP CC(C)[C@H]([NH2+]CCCC[N@@H+]1CCC[C@@H]1CO)c1ccc(F)cn1 ZINC000354095189 428860502 /nfs/dbraw/zinc/86/05/02/428860502.db2.gz YXNLJOSJYZRIAX-AEFFLSMTSA-N 2 0 323.456 2.744 20 0 DFADRP Cc1cccc2nc(CN3C[C@@H]4C[N@@H+]5CCCC[C@@H]5[C@@H]4C3)cn21 ZINC000363118062 428862264 /nfs/dbraw/zinc/86/22/64/428862264.db2.gz QYXWVYWDNIDXSR-KBAYOESNSA-N 2 0 310.445 2.559 20 0 DFADRP CCc1ccc(CN2CC[NH+](CCC3CC[NH2+]CC3)CC2)s1 ZINC000359207188 428865300 /nfs/dbraw/zinc/86/53/00/428865300.db2.gz AHMKSXBOMMJCSS-UHFFFAOYSA-N 2 0 321.534 2.818 20 0 DFADRP C(C[N@@H+]1CCCC[C@@H]1c1nnc2n1CCCC2)C1CC[NH2+]CC1 ZINC000359212088 428867732 /nfs/dbraw/zinc/86/77/32/428867732.db2.gz FUWFVVGETWVWME-MRXNPFEDSA-N 2 0 317.481 2.531 20 0 DFADRP C[C@H]1CC[N@H+](CCC2CC[NH2+]CC2)CCN1Cc1ccccc1 ZINC000359210609 428867823 /nfs/dbraw/zinc/86/78/23/428867823.db2.gz LNCBTMIYMHPODI-SFHVURJKSA-N 2 0 315.505 2.973 20 0 DFADRP Fc1ccc(CN2CCC[N@H+](CCC3CC[NH2+]CC3)CC2)cc1 ZINC000359210328 428868269 /nfs/dbraw/zinc/86/82/69/428868269.db2.gz BPHQZHAFLPOJLD-UHFFFAOYSA-N 2 0 319.468 2.723 20 0 DFADRP CN(C)Cc1cnc(CN2CCC[C@H]2c2ccncc2)s1 ZINC000348919354 428874360 /nfs/dbraw/zinc/87/43/60/428874360.db2.gz GKFVEIHSHPLJRV-HNNXBMFYSA-N 2 0 302.447 2.937 20 0 DFADRP CC(C)[N@H+](C)CCNC(=O)c1cccc(C[NH+]2CCCCC2)c1 ZINC000411872841 428874701 /nfs/dbraw/zinc/87/47/01/428874701.db2.gz WLNBASCKUDRDHJ-UHFFFAOYSA-N 2 0 317.477 2.743 20 0 DFADRP COC(=O)C[C@@H]1CC[C@@H]([NH2+]C2CC[NH+](C3CCC3)CC2)[C@H]1C ZINC000354146604 428885959 /nfs/dbraw/zinc/88/59/59/428885959.db2.gz OUFVYLWCQGHZQZ-GRDNDAEWSA-N 2 0 308.466 2.571 20 0 DFADRP Cc1[nH+]ccc(NCCCC[NH+]2C[C@@H](C)O[C@H](C)C2)c1Cl ZINC000354154488 428889283 /nfs/dbraw/zinc/88/92/83/428889283.db2.gz CHQRHJMCLQCATJ-CHWSQXEVSA-N 2 0 311.857 2.767 20 0 DFADRP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccc(C(=O)OC)[nH]1 ZINC000359304117 428911522 /nfs/dbraw/zinc/91/15/22/428911522.db2.gz VMRHERMWOCNKQW-HOCLYGCPSA-N 2 0 321.465 2.792 20 0 DFADRP CCCC[N@H+](C)C[C@@H](C)NC(=O)NCc1ccc([C@@H](C)[NH3+])cc1 ZINC000418192654 428896938 /nfs/dbraw/zinc/89/69/38/428896938.db2.gz ARQWAAHKXRWJIN-HUUCEWRRSA-N 2 0 320.481 2.626 20 0 DFADRP CC(C)c1cc(N2CCC[N@@H+]([C@@H](C)CO)CC2)nc(C(C)C)n1 ZINC000375512533 428902184 /nfs/dbraw/zinc/90/21/84/428902184.db2.gz SAVYGHNBLWUQEW-HNNXBMFYSA-N 2 0 320.481 2.616 20 0 DFADRP OCC1([NH2+]CCC[NH+]2CCCCC2)C2CC3CC(C2)CC1C3 ZINC000412003004 428904194 /nfs/dbraw/zinc/90/41/94/428904194.db2.gz NXWWGIMPHZMLAH-UHFFFAOYSA-N 2 0 306.494 2.639 20 0 DFADRP CCCC[N@@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CCC[NH+]1CCC ZINC000349040483 428904322 /nfs/dbraw/zinc/90/43/22/428904322.db2.gz ASCNIEVQWVRNLQ-IRXDYDNUSA-N 2 0 309.498 2.632 20 0 DFADRP CC[N@@H+]1CC[C@@H](N(C)C(=O)NCC2([NH3+])CCCCCC2)C[C@@H]1C ZINC000418287864 428912687 /nfs/dbraw/zinc/91/26/87/428912687.db2.gz VFXDZHVTSPRXNZ-JKSUJKDBSA-N 2 0 324.513 2.552 20 0 DFADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NCC1([NH+](C)C)CCCCCC1 ZINC000349082334 428917333 /nfs/dbraw/zinc/91/73/33/428917333.db2.gz QSRYJKGHQGOWTK-MRXNPFEDSA-N 2 0 309.498 2.632 20 0 DFADRP Cc1nc2ccccn2c1C[N@H+]1CC[C@H](C2CC[NH+](C)CC2)C1 ZINC000349125668 428923775 /nfs/dbraw/zinc/92/37/75/428923775.db2.gz FNPLWFKJHGJIQH-KRWDZBQOSA-N 2 0 312.461 2.806 20 0 DFADRP CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](C(C)C)[NH+]1CCC(C)CC1 ZINC000349119616 428924096 /nfs/dbraw/zinc/92/40/96/428924096.db2.gz QUTTXGZZOWMZOA-ZWKOTPCHSA-N 2 0 323.525 2.734 20 0 DFADRP CC(C)CNC(=[NH2+])NCC1CC[NH+](CCc2ccccc2)CC1 ZINC000363484076 428925735 /nfs/dbraw/zinc/92/57/35/428925735.db2.gz QTDDPCLAFHGONI-UHFFFAOYSA-N 2 0 316.493 2.711 20 0 DFADRP Cc1cc(N2CC[NH+]([C@H]3CCC[C@H]3O)CC2)c2ccccc2[nH+]1 ZINC000375907162 274707913 /nfs/dbraw/zinc/70/79/13/274707913.db2.gz RNEINNVNGJEQOZ-PKOBYXMFSA-N 2 0 311.429 2.579 20 0 DFADRP CCC[N@@H+]1CCC[C@H]1C(=O)NC1CC[NH+](CC2CCCC2)CC1 ZINC000349141975 428926194 /nfs/dbraw/zinc/92/61/94/428926194.db2.gz GOCJXSKXYWGOQH-SFHVURJKSA-N 2 0 321.509 2.632 20 0 DFADRP CCOC(=O)[C@@H]1CC[C@@H]([NH2+]CCC[NH2+]C2CC2)c2ccccc21 ZINC000423557703 428971419 /nfs/dbraw/zinc/97/14/19/428971419.db2.gz NNXJCDNCQNVVJX-QZTJIDSGSA-N 2 0 316.445 2.900 20 0 DFADRP C[C@H]([NH2+]CCc1ccc(OCC[NH+](C)C)cc1)C1CCOCC1 ZINC000354331578 428971396 /nfs/dbraw/zinc/97/13/96/428971396.db2.gz DTMICWLYORKNJP-INIZCTEOSA-N 2 0 320.477 2.574 20 0 DFADRP C[C@@H]1C[N@H+](C[C@H]2CCCO2)CC[C@@H]1[NH2+]CCCC(F)(F)F ZINC000363521078 428934887 /nfs/dbraw/zinc/93/48/87/428934887.db2.gz AHVWNDPNYZYWIL-MCIONIFRSA-N 2 0 308.388 2.808 20 0 DFADRP CCOC(=O)c1coc(C[N@@H+]2CC[C@H](C3CC[NH+](C)CC3)C2)c1 ZINC000349195592 428936617 /nfs/dbraw/zinc/93/66/17/428936617.db2.gz SUDVMZUIJJZLSO-HNNXBMFYSA-N 2 0 320.433 2.620 20 0 DFADRP C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)c1cccc(C[NH+](C)C)c1 ZINC000345583369 428946024 /nfs/dbraw/zinc/94/60/24/428946024.db2.gz IBPVZPCKVKHODN-OAHLLOKOSA-N 2 0 317.477 2.551 20 0 DFADRP CC1CC[NH+](C[C@@H](O)CN[C@@H](c2ccc(F)cc2)C2CC2)CC1 ZINC000359379135 428946305 /nfs/dbraw/zinc/94/63/05/428946305.db2.gz DFBBTGSTFSNENB-RBUKOAKNSA-N 2 0 320.452 2.959 20 0 DFADRP CC1CC[NH+](C[C@@H](O)CN[C@H](c2ccc(F)cc2)C2CC2)CC1 ZINC000359379132 428946825 /nfs/dbraw/zinc/94/68/25/428946825.db2.gz DFBBTGSTFSNENB-OALUTQOASA-N 2 0 320.452 2.959 20 0 DFADRP [NH3+]C[C@H]1CC[C@H](Nc2nccc3cc(Br)ccc32)C1 ZINC000420280034 428955920 /nfs/dbraw/zinc/95/59/20/428955920.db2.gz UCVASWJWKNONBO-GWCFXTLKSA-N 2 0 320.234 3.537 20 0 DFADRP CC[C@H](C(=O)Nc1ccc(C[NH3+])cc1)[N@H+](C)Cc1ccccc1 ZINC000423548446 428967357 /nfs/dbraw/zinc/96/73/57/428967357.db2.gz RFSQUEHWVAIMDZ-GOSISDBHSA-N 2 0 311.429 2.994 20 0 DFADRP C[C@H]([NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)c1ccc(F)cc1N(C)C ZINC000423537423 428967468 /nfs/dbraw/zinc/96/74/68/428967468.db2.gz CYCBEIPVMQIQME-KNCOVGOOSA-N 2 0 305.441 2.930 20 0 DFADRP C[C@@H]([NH2+]CCC1=CC[NH2+]CC1)c1cccc(OCC[NH+](C)C)c1 ZINC000423539886 428969777 /nfs/dbraw/zinc/96/97/77/428969777.db2.gz POBBHAGRFHJFHA-MRXNPFEDSA-N 3 0 317.477 2.587 20 0 DFADRP CC[C@@H]1C[C@H]([NH2+][C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)CCO1 ZINC000423553971 428970575 /nfs/dbraw/zinc/97/05/75/428970575.db2.gz RBTYTJKTYGIGDY-IIHSZXCVSA-N 2 0 316.445 2.790 20 0 DFADRP C[C@H]1[C@H](NCCC[NH2+]C2CC2)CCC[N@@H+]1Cc1ccccc1 ZINC000423552407 428970691 /nfs/dbraw/zinc/97/06/91/428970691.db2.gz JWONZBNFKLSAGN-QFBILLFUSA-N 2 0 301.478 2.771 20 0 DFADRP C[C@H]1CN(Cc2ccccc2)CC[C@@H]1[NH2+]CCC1=CC[NH2+]CC1 ZINC000423549124 428970725 /nfs/dbraw/zinc/97/07/25/428970725.db2.gz HJPXQJXZVUXWQX-PXNSSMCTSA-N 2 0 313.489 2.796 20 0 DFADRP Cc1cc(C[NH+](C)C)cc(NC(=O)C[C@@H]2CCC[NH2+]CC2)c1 ZINC000423779699 429016776 /nfs/dbraw/zinc/01/67/76/429016776.db2.gz FSFDRIAOSFHWHZ-OAHLLOKOSA-N 2 0 303.450 2.775 20 0 DFADRP C[C@@H]1CC[NH2+][C@H](C(=O)Nc2cccc(CC[NH+]3CCCC3)c2)C1 ZINC000423782579 429019575 /nfs/dbraw/zinc/01/95/75/429019575.db2.gz ZIQBWACLHFSHGZ-QAPCUYQASA-N 2 0 315.461 2.652 20 0 DFADRP CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCCCCC[C@H]1[NH3+] ZINC000423792297 429020962 /nfs/dbraw/zinc/02/09/62/429020962.db2.gz DFLHPLMFESOYRS-BRWVUGGUSA-N 2 0 309.498 2.521 20 0 DFADRP C[N@H+](CCNC(=O)[C@@H]1CCCC[NH+]1C1CCCC1)C1CCCC1 ZINC000433343971 429025136 /nfs/dbraw/zinc/02/51/36/429025136.db2.gz PTXQJDSQTOIDIP-SFHVURJKSA-N 2 0 321.509 2.774 20 0 DFADRP CCC(C)(C)[C@H]1CCCN1C(=O)CCC[NH+]1CCC([NH3+])CC1 ZINC000423806273 429026795 /nfs/dbraw/zinc/02/67/95/429026795.db2.gz FCUHDUWCYHNPFG-MRXNPFEDSA-N 2 0 309.498 2.617 20 0 DFADRP CC[NH+](CC)[C@@H]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC000433376657 429030207 /nfs/dbraw/zinc/03/02/07/429030207.db2.gz JXSRCANCDIHOFD-MSOLQXFVSA-N 2 0 321.509 2.726 20 0 DFADRP CC[C@H](C(=O)NC[C@H]1CCC[C@@H]([NH3+])C1)[N@H+](C)Cc1ccccc1 ZINC000423673716 428992354 /nfs/dbraw/zinc/99/23/54/428992354.db2.gz AFZBMKXEGICFSL-RCCFBDPRSA-N 2 0 317.477 2.531 20 0 DFADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1[NH2+]CC1(CO)CC(c2ccccc2)C1 ZINC000433085245 428994540 /nfs/dbraw/zinc/99/45/40/428994540.db2.gz UDMCLXLHUQFCRH-NAODFFGXSA-N 2 0 316.489 2.861 20 0 DFADRP CON1CCC([NH2+]C2CC[NH+]([C@@H]3CCC[C@@H](C)C3)CC2)CC1 ZINC000421399051 428994608 /nfs/dbraw/zinc/99/46/08/428994608.db2.gz PJGFOIDWYGGSMB-CRAIPNDOSA-N 2 0 309.498 2.645 20 0 DFADRP [NH3+]C1CC[NH+](CCCC(=O)N[C@@H]2CC[C@H]3CCCC[C@H]3C2)CC1 ZINC000433119186 428995457 /nfs/dbraw/zinc/99/54/57/428995457.db2.gz FHKAQCSTGUHSIW-SOLBZPMBSA-N 2 0 321.509 2.665 20 0 DFADRP CC[C@H](C)[C@@H]1CCCCN1C(=O)CCC[NH+]1CCC([NH3+])CC1 ZINC000433133050 428999151 /nfs/dbraw/zinc/99/91/51/428999151.db2.gz HGLWYKRXJRBVAK-RDJZCZTQSA-N 2 0 309.498 2.617 20 0 DFADRP Cc1ccc([C@H](C)NC(=O)CCC[NH+]2CCC([NH3+])CC2)cc1F ZINC000433136140 428999640 /nfs/dbraw/zinc/99/96/40/428999640.db2.gz KUDJPQBPYIAPGS-AWEZNQCLSA-N 2 0 321.440 2.515 20 0 DFADRP Cc1cc([C@H](C)NC(=O)CCC[NH+]2CCC([NH3+])CC2)c(C)s1 ZINC000433132120 428999665 /nfs/dbraw/zinc/99/96/65/428999665.db2.gz LUVIAHWYSIPUPR-ZDUSSCGKSA-N 2 0 323.506 2.745 20 0 DFADRP C[C@@H]1CC[C@H](C)[N@H+]1[C@H]1CCCN(C(=O)CCC2CC[NH2+]CC2)C1 ZINC000423725904 429005575 /nfs/dbraw/zinc/00/55/75/429005575.db2.gz IXBGWEGPKNFLKD-JZXOWHBKSA-N 2 0 321.509 2.630 20 0 DFADRP C[C@@H]1C[N@@H+](CCCC[NH2+]Cc2ncc(Cl)s2)C[C@H](C)O1 ZINC000349567511 429006837 /nfs/dbraw/zinc/00/68/37/429006837.db2.gz XUJGANMVBDDZPG-TXEJJXNPSA-N 2 0 317.886 2.776 20 0 DFADRP CN(CC[N@H+](C)C1CCCCC1)C(=O)C[C@@H]1CCCC[C@H]1[NH3+] ZINC000423760921 429011476 /nfs/dbraw/zinc/01/14/76/429011476.db2.gz OCGWOXCZHIETDQ-DOTOQJQBSA-N 2 0 309.498 2.617 20 0 DFADRP CC(C)[C@@H](C(=O)Nc1cccc(CC[NH+]2CCCC2)c1)[C@@H](C)[NH3+] ZINC000423773558 429012808 /nfs/dbraw/zinc/01/28/08/429012808.db2.gz MXLZWKLBJHUKFX-CRAIPNDOSA-N 2 0 317.477 2.883 20 0 DFADRP CC[C@H]1[NH2+]CC[C@@H]1C(=O)Nc1cccc(CC[NH+]2CCCC2)c1 ZINC000423773432 429013491 /nfs/dbraw/zinc/01/34/91/429013491.db2.gz MOQYTCREVUNIPG-ZWKOTPCHSA-N 2 0 315.461 2.652 20 0 DFADRP CN(CC[N@H+](C)C1CCCCC1)C(=O)C[C@@H]([NH3+])c1ccccc1 ZINC000423767720 429014278 /nfs/dbraw/zinc/01/42/78/429014278.db2.gz WQEAFKJMISSPMG-GOSISDBHSA-N 2 0 317.477 2.799 20 0 DFADRP C[C@H]([NH2+]C[C@@H]1CCC[C@@H]([NH3+])C1)c1ccc(OCC[NH+](C)C)cc1 ZINC000423453226 429090488 /nfs/dbraw/zinc/09/04/88/429090488.db2.gz AKAOSQIQWTZKMK-LZLYRXPVSA-N 2 0 319.493 2.795 20 0 DFADRP Cc1c([C@@H](C)[NH2+][C@H](C)CCC[NH3+])nnn1-c1ccc(C)cc1 ZINC000423454849 429090829 /nfs/dbraw/zinc/09/08/29/429090829.db2.gz MBORBHNJVJVKLZ-ZIAGYGMSSA-N 2 0 301.438 2.662 20 0 DFADRP CN1CC[C@H]([NH2+]C[C@@H]2CCC[C@@H]([NH3+])C2)C[C@@H]1c1ccccc1 ZINC000423465303 429093269 /nfs/dbraw/zinc/09/32/69/429093269.db2.gz HPJNPIXTFIQRDO-OQIJWPOYSA-N 2 0 301.478 2.929 20 0 DFADRP C[C@H]([NH3+])[C@H](C)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@H]2CCC[C@@H]21 ZINC000423479998 429093877 /nfs/dbraw/zinc/09/38/77/429093877.db2.gz VWKOKZNMOKMRSY-OBQKDBCYSA-N 2 0 301.478 2.755 20 0 DFADRP CC(=O)NCCc1ccc([C@H](C)[NH2+]C[C@H]2CCC[C@@H]([NH3+])C2)cc1 ZINC000423481015 429095016 /nfs/dbraw/zinc/09/50/16/429095016.db2.gz WMUKPRGHBFBPDK-UCLAIMLFSA-N 2 0 317.477 2.533 20 0 DFADRP COc1ccccc1NC(=O)C[C@H](C)[NH2+]CCC[C@@H]1CCC[NH2+]1 ZINC000423488336 429095922 /nfs/dbraw/zinc/09/59/22/429095922.db2.gz VHPVYRJEROIYRQ-LSDHHAIUSA-N 2 0 319.449 2.534 20 0 DFADRP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@@H](C)c2ccncc2Cl)CC1 ZINC000421826666 429036785 /nfs/dbraw/zinc/03/67/85/429036785.db2.gz UGBDUGKFJSGXEG-CABCVRRESA-N 2 0 324.900 2.659 20 0 DFADRP COC1([C@@H](C)[NH2+]CCC[N@@H+]2CCCO[C@@H](C)C2)CCCCC1 ZINC000421859316 429040480 /nfs/dbraw/zinc/04/04/80/429040480.db2.gz SKAXTVVTWXWYEK-DLBZAZTESA-N 2 0 312.498 2.815 20 0 DFADRP CN1CC[C@H]([NH2+]CCC[C@H]2CCC[NH2+]2)C[C@@H]1c1ccccc1 ZINC000423485867 429096577 /nfs/dbraw/zinc/09/65/77/429096577.db2.gz RZBWLGRFPVWTLJ-CEXWTWQISA-N 3 0 301.478 2.944 20 0 DFADRP CO[C@@H]1CCC[NH+](C/C=C/C[N@H+]2CCC[C@@H](OC)CC2)CC1 ZINC000376066572 429051326 /nfs/dbraw/zinc/05/13/26/429051326.db2.gz ICLZLBCFOLQHQY-GVKUHWBJSA-N 2 0 310.482 2.544 20 0 DFADRP CC(C)[C@H]([NH3+])CN[C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000423282369 429055630 /nfs/dbraw/zinc/05/56/30/429055630.db2.gz VVZNPTSRBAMQOV-VNTMZGSJSA-N 2 0 315.505 2.860 20 0 DFADRP CC(C)[C@@H]([NH3+])CN[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000423279491 429055717 /nfs/dbraw/zinc/05/57/17/429055717.db2.gz SBDDLSZTWMPSIV-OKYOBFRVSA-N 2 0 301.478 2.755 20 0 DFADRP CC(C)[N@H+](CC(=O)NC1CC[NH+](C(C)C)CC1)C1CC(C)(C)C1 ZINC000452100785 429056145 /nfs/dbraw/zinc/05/61/45/429056145.db2.gz FGRIVVBCZTXGET-UHFFFAOYSA-N 2 0 323.525 2.874 20 0 DFADRP CCO[C@@H]1C[C@@H]([NH2+]Cc2ccc([C@H](C)[NH3+])cc2)C12CCOCC2 ZINC000423291612 429059037 /nfs/dbraw/zinc/05/90/37/429059037.db2.gz IYMSXOBQQAYQSX-BMGDILEWSA-N 2 0 318.461 2.770 20 0 DFADRP CC(C)(C)[C@@H]1NC(=O)CC[C@H]1[NH2+]C1CC[NH+](C2CCCC2)CC1 ZINC000376116751 429059746 /nfs/dbraw/zinc/05/97/46/429059746.db2.gz OGIRZPWHEYNGCO-SJLPKXTDSA-N 2 0 321.509 2.676 20 0 DFADRP CC(C)C[NH+]1CCC(NC(=O)[C@H]([NH3+])CC2CCCCC2)CC1 ZINC000423299485 429059747 /nfs/dbraw/zinc/05/97/47/429059747.db2.gz BVMPALPTVWYNHI-QGZVFWFLSA-N 2 0 309.498 2.521 20 0 DFADRP C[C@H](C[NH3+])C[NH2+][C@@H]1CCc2c1cc(Br)cc2F ZINC000423297094 429061374 /nfs/dbraw/zinc/06/13/74/429061374.db2.gz IRUGJELZYGUYPE-AMIZOPFISA-N 2 0 301.203 2.760 20 0 DFADRP CCOC(=O)[C@@H]1CC[C@H]([NH2+]CC2([NH3+])CCC2)c2ccccc21 ZINC000423316631 429062830 /nfs/dbraw/zinc/06/28/30/429062830.db2.gz BXTAVKBMEYRMRH-CVEARBPZSA-N 2 0 302.418 2.639 20 0 DFADRP C[C@H](C[NH+]1CCCCC1)NC(=O)C(C)(C)[C@@H]([NH3+])c1ccccc1 ZINC000423319515 429063419 /nfs/dbraw/zinc/06/34/19/429063419.db2.gz DJIUVUGEXCJOSJ-WBVHZDCISA-N 2 0 317.477 2.703 20 0 DFADRP C[C@H]([NH3+])c1ccc(C(=O)NC[C@H](c2ccsc2)[NH+](C)C)cc1 ZINC000423321577 429063740 /nfs/dbraw/zinc/06/37/40/429063740.db2.gz GMPJUVUHHHABDA-BLLLJJGKSA-N 2 0 317.458 2.801 20 0 DFADRP C[C@@H]1CCC[N@H+](CCNC(=O)C(C)(C)[C@@H]([NH3+])c2ccccc2)C1 ZINC000423328279 429064991 /nfs/dbraw/zinc/06/49/91/429064991.db2.gz LXWVVJSWZSQQQB-WBVHZDCISA-N 2 0 317.477 2.561 20 0 DFADRP C[C@H]([NH2+]C[C@@]1(C)CCC[NH2+]C1)c1cccc(OCC[NH+](C)C)c1 ZINC000423323023 429065255 /nfs/dbraw/zinc/06/52/55/429065255.db2.gz HXMPDYWSISQFGB-LPHOPBHVSA-N 3 0 319.493 2.667 20 0 DFADRP COc1ccc([C@H](C)[NH2+]C[C@@H]2CC[NH2+]C2)cc1Br ZINC000423330823 429065948 /nfs/dbraw/zinc/06/59/48/429065948.db2.gz GJERMGIDLJUULL-WDEREUQCSA-N 2 0 313.239 2.718 20 0 DFADRP [NH3+]C1(CN[C@@H]2CC[N@H+](Cc3ccccc3)[C@H]3CCC[C@H]32)CCC1 ZINC000423324110 429066385 /nfs/dbraw/zinc/06/63/85/429066385.db2.gz IIOJJDVUXIVVLZ-OTWHNJEPSA-N 2 0 313.489 2.901 20 0 DFADRP C[C@H]1CCC[N@H+](Cc2ccc(NC(=O)[C@]34C[C@H]3CC[NH2+]4)cc2)C1 ZINC000423336099 429067557 /nfs/dbraw/zinc/06/75/57/429067557.db2.gz QIAPZWLRCZUVBG-GMBSWORKSA-N 2 0 313.445 2.609 20 0 DFADRP CCN(CC)C(=O)Nc1ccc([C@@H](C)[NH2+]CCCC[NH3+])cc1 ZINC000423335880 429068066 /nfs/dbraw/zinc/06/80/66/429068066.db2.gz PZDKDWSQPUYMJA-CQSZACIVSA-N 2 0 306.454 2.950 20 0 DFADRP CCC[NH+]1CCC(N(C)C(=O)c2ccc([C@@H](C)[NH3+])cc2)CC1 ZINC000423334212 429068397 /nfs/dbraw/zinc/06/83/97/429068397.db2.gz FRJSMYFDVUJHOP-CQSZACIVSA-N 2 0 303.450 2.653 20 0 DFADRP [NH3+][C@@H](C[NH2+][C@@H]1CCc2cccc(Br)c2C1)C1CC1 ZINC000423334589 429068650 /nfs/dbraw/zinc/06/86/50/429068650.db2.gz WTKQOIDDWUBVAF-DOMZBBRYSA-N 2 0 309.251 2.633 20 0 DFADRP Cc1c([C@H](C)[NH2+]CCCC[NH3+])nnn1-c1cccc(Cl)c1 ZINC000423343346 429070368 /nfs/dbraw/zinc/07/03/68/429070368.db2.gz VYSSISBTZSYUQY-NSHDSACASA-N 2 0 307.829 2.619 20 0 DFADRP CCc1ccccc1[C@H]([NH3+])CNC(=O)[C@H]1CCCCCC[C@@H]1[NH3+] ZINC000423990352 429071163 /nfs/dbraw/zinc/07/11/63/429071163.db2.gz ZEAJIPWDVIMLGE-OKZBNKHCSA-N 2 0 317.477 2.663 20 0 DFADRP CCOC(=O)[C@H]1CC[C@H]([NH2+]CC[C@H]2CCC[NH2+]2)c2ccccc21 ZINC000423353870 429072329 /nfs/dbraw/zinc/07/23/29/429072329.db2.gz FBSIQGHJJCOJPK-JLSDUUJJSA-N 2 0 316.445 2.900 20 0 DFADRP C[C@@H]1[C@H](NCC[C@H]2CCC[NH2+]2)CCC[N@@H+]1Cc1ccccc1 ZINC000423355329 429072339 /nfs/dbraw/zinc/07/23/39/429072339.db2.gz IAZLEAXBXYLEQV-BHIYHBOVSA-N 2 0 301.478 2.771 20 0 DFADRP CC(C)[C@H](C(=O)N[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1)[C@H](C)[NH3+] ZINC000423357511 429072419 /nfs/dbraw/zinc/07/24/19/429072419.db2.gz IEOKXZRUSDOPHO-ONIAQPFYSA-N 2 0 317.477 2.558 20 0 DFADRP COc1cc(C)c(C[C@@H](C)[NH2+]CC[C@H]2CCC[NH2+]2)cc1OC ZINC000423354323 429072814 /nfs/dbraw/zinc/07/28/14/429072814.db2.gz CRQCJJOWGGYDNN-GDBMZVCRSA-N 2 0 306.450 2.675 20 0 DFADRP C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)[C@H]([NH3+])CC1CCCCC1 ZINC000423369099 429073678 /nfs/dbraw/zinc/07/36/78/429073678.db2.gz SIVRURZWTJKHOL-BFYDXBDKSA-N 2 0 309.498 2.521 20 0 DFADRP [NH3+][C@@H]1CCC[C@H]([NH2+]C2CCN(c3ccc(F)cc3F)CC2)C1 ZINC000423365993 429074408 /nfs/dbraw/zinc/07/44/08/429074408.db2.gz BIXWRAJJDZPFHQ-HIFRSBDPSA-N 2 0 309.404 2.793 20 0 DFADRP C[C@@H]1[C@H]([NH2+][C@@H]2CCC[C@@H]([NH3+])C2)CCCN1Cc1ccccc1 ZINC000423368536 429074511 /nfs/dbraw/zinc/07/45/11/429074511.db2.gz NIBWHGUEKWVCNU-NXWXRZEISA-N 2 0 301.478 2.899 20 0 DFADRP C[C@@H]1[C@H]([NH2+][C@@H]2CCC[C@H]([NH3+])C2)CCCN1Cc1ccccc1 ZINC000423368540 429074898 /nfs/dbraw/zinc/07/48/98/429074898.db2.gz NIBWHGUEKWVCNU-QXCFHYIPSA-N 2 0 301.478 2.899 20 0 DFADRP C[C@@H]1C[C@@H](N[C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)CC[NH2+]1 ZINC000423370678 429075470 /nfs/dbraw/zinc/07/54/70/429075470.db2.gz DUCKBAVCGUYBNY-MTEHYEEQSA-N 2 0 313.489 2.912 20 0 DFADRP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)[C@@H]([NH3+])CC1CCCCC1 ZINC000423369102 429075618 /nfs/dbraw/zinc/07/56/18/429075618.db2.gz SIVRURZWTJKHOL-VYDXJSESSA-N 2 0 309.498 2.521 20 0 DFADRP C[C@H](Cc1ccccc1)[NH+]1CCC(N[C@H]2CC[NH2+][C@H](C)C2)CC1 ZINC000423381143 429076001 /nfs/dbraw/zinc/07/60/01/429076001.db2.gz NLQGCFRGEJWOAW-HLIPFELVSA-N 2 0 315.505 2.812 20 0 DFADRP COc1ccc(C[C@H](C)[NH2+][C@@H]2CC[NH2+][C@@H](C)C2)c(C)c1OC ZINC000423374122 429077690 /nfs/dbraw/zinc/07/76/90/429077690.db2.gz HUHFQYBSPQATMD-HEHGZKQESA-N 2 0 306.450 2.673 20 0 DFADRP CCOc1ccc([C@@H](C)[NH2+]CC2(COC)CC[NH2+]CC2)cc1 ZINC000423385450 429078388 /nfs/dbraw/zinc/07/83/88/429078388.db2.gz IPNBIBBIILBUGK-OAHLLOKOSA-N 2 0 306.450 2.752 20 0 DFADRP COc1ccc([C@H](C)[C@H](C)[NH2+][C@@H]2CC[NH2+][C@H](C)C2)cc1OC ZINC000423389978 429078954 /nfs/dbraw/zinc/07/89/54/429078954.db2.gz VLVPFXBSBDRZNA-HGTKMLMNSA-N 2 0 306.450 2.926 20 0 DFADRP COc1ccc([C@H](C)[C@H](C)[NH2+][C@@H]2CC[NH2+][C@@H](C)C2)cc1OC ZINC000423389980 429079380 /nfs/dbraw/zinc/07/93/80/429079380.db2.gz VLVPFXBSBDRZNA-KNCOVGOOSA-N 2 0 306.450 2.926 20 0 DFADRP CC(C)[C@H](C(=O)N1CCC[C@@H](C[NH+]2CCCCCC2)C1)[C@H](C)[NH3+] ZINC000423385491 429080126 /nfs/dbraw/zinc/08/01/26/429080126.db2.gz QUOZSICCQINWLF-BZSNNMDCSA-N 2 0 323.525 2.720 20 0 DFADRP COc1ccc(C[C@H](C)[NH2+][C@H]2CC[NH2+]C[C@H]2C)c(C)c1OC ZINC000423394648 429080306 /nfs/dbraw/zinc/08/03/06/429080306.db2.gz MVUMARRJPWMWEJ-WWGRRREGSA-N 2 0 306.450 2.531 20 0 DFADRP C[C@@H]1[NH2+]CCC[C@@H]1N[C@H]1CCC[N@H+](Cc2ccccc2)[C@H]1C ZINC000423398730 429081732 /nfs/dbraw/zinc/08/17/32/429081732.db2.gz VIKHUJOUVGAQKS-CAMMJAKZSA-N 2 0 301.478 2.770 20 0 DFADRP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1N[C@@H](C[NH3+])c1ccc2ccccc2c1 ZINC000423408379 429081806 /nfs/dbraw/zinc/08/18/06/429081806.db2.gz XJZXBPNWRIMWCO-UAOJZALGSA-N 2 0 309.457 2.912 20 0 DFADRP C[C@@H]1[NH2+]CCC[C@H]1N[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000423398738 429082170 /nfs/dbraw/zinc/08/21/70/429082170.db2.gz VJZJOCVVAYUGNQ-AEEMCCEDSA-N 2 0 313.489 2.912 20 0 DFADRP C[C@H]([NH2+][C@@H]1CCC[C@H]([NH3+])C1)c1ccc(OCC[NH+](C)C)cc1 ZINC000423398137 429082430 /nfs/dbraw/zinc/08/24/30/429082430.db2.gz TZRQYYJQCOPHRN-BHYGNILZSA-N 3 0 305.466 2.548 20 0 DFADRP COCC1(C[NH2+][C@H](C)c2cc(F)c(F)c(F)c2)CC[NH2+]CC1 ZINC000423411000 429083307 /nfs/dbraw/zinc/08/33/07/429083307.db2.gz SVYVELDUIUWDNO-LLVKDONJSA-N 2 0 316.367 2.771 20 0 DFADRP C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)C(C)(C)[C@H]([NH3+])c2ccccc2)C1 ZINC000423410920 429083394 /nfs/dbraw/zinc/08/33/94/429083394.db2.gz DVYKARLIGZAJPP-BRWVUGGUSA-N 2 0 317.477 2.702 20 0 DFADRP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)c1ccc([C@H](C)[NH3+])cc1 ZINC000423415004 429083539 /nfs/dbraw/zinc/08/35/39/429083539.db2.gz CZHKRDBRMGZBFV-WMLDXEAASA-N 2 0 303.450 2.701 20 0 DFADRP COCC1(C[NH2+][C@@H]2c3cc(F)ccc3C[C@@H]2C)CC[NH2+]CC1 ZINC000423409898 429083882 /nfs/dbraw/zinc/08/38/82/429083882.db2.gz QYGYVEHXTCAACE-GUYCJALGSA-N 2 0 306.425 2.665 20 0 DFADRP Cc1c([C@@H](C)[NH2+][C@H](C)CCCC[NH3+])nnn1-c1ccccc1 ZINC000423425845 429084698 /nfs/dbraw/zinc/08/46/98/429084698.db2.gz HGWPUSNQJZWGJG-ZIAGYGMSSA-N 2 0 301.438 2.744 20 0 DFADRP COC[C@@]1(C[NH2+][C@@H](Cc2ccccc2C)C2CC2)CCC[NH2+]1 ZINC000423415829 429084761 /nfs/dbraw/zinc/08/47/61/429084761.db2.gz PNJQSSLTYPMCAL-OALUTQOASA-N 2 0 302.462 2.674 20 0 DFADRP COC[C@]1(C[NH2+][C@H](Cc2ccc(C)cc2)C(C)C)CCC[NH2+]1 ZINC000423419329 429084787 /nfs/dbraw/zinc/08/47/87/429084787.db2.gz VTWVMQFAZZARQZ-RTBURBONSA-N 2 0 304.478 2.920 20 0 DFADRP COC[C@]1(C[NH2+][C@H](Cc2cccc(C)c2)C2CC2)CCC[NH2+]1 ZINC000423421197 429085278 /nfs/dbraw/zinc/08/52/78/429085278.db2.gz JXGFNPUCICKESJ-RTBURBONSA-N 2 0 302.462 2.674 20 0 DFADRP COC[C@@]1(C[NH2+][C@@H](Cc2cccc(C)c2)C2CC2)CCC[NH2+]1 ZINC000423421194 429085325 /nfs/dbraw/zinc/08/53/25/429085325.db2.gz JXGFNPUCICKESJ-OALUTQOASA-N 2 0 302.462 2.674 20 0 DFADRP C[C@H](CCCC[NH3+])[NH2+][C@@H](c1ccc(F)cc1)c1cnccn1 ZINC000423425746 429085973 /nfs/dbraw/zinc/08/59/73/429085973.db2.gz HBIGOWXFVJMOOG-DYVFJYSZSA-N 2 0 302.397 2.812 20 0 DFADRP c1ccc2c(c1)CC[NH2+][C@@H]2CN[C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1 ZINC000423421144 429086171 /nfs/dbraw/zinc/08/61/71/429086171.db2.gz JVBYOTVKHHWWJE-VNTMZGSJSA-N 2 0 313.489 2.774 20 0 DFADRP CCC[N@H+](C)C[C@H]1CCN(C(=O)c2ccc([C@@H](C)[NH3+])cc2)C1 ZINC000423446156 429088382 /nfs/dbraw/zinc/08/83/82/429088382.db2.gz SNSXDXSYYWFNBX-HUUCEWRRSA-N 2 0 303.450 2.510 20 0 DFADRP c1cc(C[N@@H+](C[C@@H]2CCC[NH2+]C2)[C@@H]2CC23CC[NH2+]CC3)cs1 ZINC000435432391 429142813 /nfs/dbraw/zinc/14/28/13/429142813.db2.gz MYKHVPXKLQCWAM-NVXWUHKLSA-N 3 0 319.518 2.692 20 0 DFADRP Cc1cc(C[NH3+])cc(NC(=O)NC[C@@H](C)[N@@H+]2CCC[C@H](C)C2)c1 ZINC000424446936 429143109 /nfs/dbraw/zinc/14/31/09/429143109.db2.gz SZSHJASRFOCSFT-DZGCQCFKSA-N 2 0 318.465 2.696 20 0 DFADRP Cc1cc(C[NH3+])cc(NC(=O)NC[C@@H](C)[NH+]2CCC(C)CC2)c1 ZINC000424430369 429143124 /nfs/dbraw/zinc/14/31/24/429143124.db2.gz BOVIIQQZZPXAAN-OAHLLOKOSA-N 2 0 318.465 2.696 20 0 DFADRP C[C@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1[NH2+]CCCC[NH+](C)C ZINC000494743116 429149238 /nfs/dbraw/zinc/14/92/38/429149238.db2.gz VVMNALFQGNKZQY-GJZGRUSLSA-N 2 0 313.486 2.563 20 0 DFADRP CCN(CC(=O)Nc1ccc(C)cc1C)[C@H]1CCC[NH2+]CC1 ZINC000435613741 429151972 /nfs/dbraw/zinc/15/19/72/429151972.db2.gz KQHIXMTXTAJWHR-INIZCTEOSA-N 2 0 303.450 2.706 20 0 DFADRP CCN(CC(=O)N1CCC[C@@H]2CCCC[C@H]21)[C@@H]1CCC[NH2+]CC1 ZINC000435611927 429153098 /nfs/dbraw/zinc/15/30/98/429153098.db2.gz DDDGXNAPAAUNTB-RCCFBDPRSA-N 2 0 321.509 2.632 20 0 DFADRP C[NH+](C)Cc1ccccc1C(=O)NCC[N@@H+]1CCCC(C)(C)C1 ZINC000487516388 429157834 /nfs/dbraw/zinc/15/78/34/429157834.db2.gz QFYJPWDZNYNMTL-UHFFFAOYSA-N 2 0 317.477 2.600 20 0 DFADRP [NH3+][C@@H](CCC(=O)N1CC[NH+](C2CCC2)CC1)CC1CCCCC1 ZINC000424145730 429098712 /nfs/dbraw/zinc/09/87/12/429098712.db2.gz OINUKLKVNFRPNE-KRWDZBQOSA-N 2 0 321.509 2.761 20 0 DFADRP C[C@H](Cc1ccccc1C(F)(F)F)[NH2+]C[C@H]1C[NH2+]CCCO1 ZINC000423494671 429098748 /nfs/dbraw/zinc/09/87/48/429098748.db2.gz SOHIRFLAMVHJCB-TZMCWYRMSA-N 2 0 316.367 2.605 20 0 DFADRP C[C@@H]([NH2+]C[C@@H]1C[NH2+]CCCO1)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000423493960 429099905 /nfs/dbraw/zinc/09/99/05/429099905.db2.gz RLMUTWHGUOZGFX-MROQNXINSA-N 2 0 314.882 2.862 20 0 DFADRP CC[N@H+](C)C[C@H]1CCN(C(=O)CC[C@H]([NH3+])CC2CCCCC2)C1 ZINC000424147819 429100225 /nfs/dbraw/zinc/10/02/25/429100225.db2.gz SITLIJFUVJLROY-MSOLQXFVSA-N 2 0 323.525 2.865 20 0 DFADRP C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)CC[C@H]([NH3+])CC1CCCCC1 ZINC000424148323 429100738 /nfs/dbraw/zinc/10/07/38/429100738.db2.gz UGEDLTWALKWSHA-NJAFHUGGSA-N 2 0 321.509 2.759 20 0 DFADRP C[C@@H]1CN([C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)C[C@@]1(C)C[NH3+] ZINC000423505563 429101238 /nfs/dbraw/zinc/10/12/38/429101238.db2.gz HEENHOVCFVAKTQ-HNBVOPMISA-N 2 0 315.505 2.814 20 0 DFADRP CCOC(=O)c1oc2c(c1C)[C@H]([NH2+][C@H]1CC[C@H](C[NH3+])C1)CCC2 ZINC000423500093 429102032 /nfs/dbraw/zinc/10/20/32/429102032.db2.gz IGDXQOKIIQHWLG-MELADBBJSA-N 2 0 320.433 2.859 20 0 DFADRP Fc1ccc2c(c1)[C@H]([NH2+]C1CCC([NH+]3CCNCC3)CC1)CC2 ZINC000423506986 429102855 /nfs/dbraw/zinc/10/28/55/429102855.db2.gz JFJZCKSLHXQYBB-FAFZWHIHSA-N 2 0 317.452 2.619 20 0 DFADRP CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@H]2CC[C@H](C[NH3+])C2)c2ccccc21 ZINC000423511374 429103874 /nfs/dbraw/zinc/10/38/74/429103874.db2.gz QCVVUVFIPUKCCS-ZZCKCESHSA-N 2 0 316.445 2.885 20 0 DFADRP C[C@@H]([NH2+]C1CCC(N2CC[NH2+]CC2)CC1)c1ccc(Cl)cn1 ZINC000423511014 429103892 /nfs/dbraw/zinc/10/38/92/429103892.db2.gz NAYRIHOCRRXOOA-IUDNXUCKSA-N 2 0 322.884 2.602 20 0 DFADRP C[C@@H]1CN([C@H]2CC[N@H+](C)[C@H](c3ccccc3)C2)C[C@@]1(C)C[NH3+] ZINC000423515337 429105837 /nfs/dbraw/zinc/10/58/37/429105837.db2.gz VEZRBWUDNWMPGL-XGXHKWSGSA-N 3 0 301.478 2.739 20 0 DFADRP C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)CC[C@@H]([NH3+])CC1CCCCC1 ZINC000424181394 429107038 /nfs/dbraw/zinc/10/70/38/429107038.db2.gz RBXUDRPQBXXANG-KBAYOESNSA-N 2 0 323.525 2.863 20 0 DFADRP C[C@@H]([NH2+]C1CCC(N2CC[NH2+]CC2)CC1)c1cc(F)ccc1F ZINC000423525675 429108303 /nfs/dbraw/zinc/10/83/03/429108303.db2.gz YKNBEDHTBOVANY-IUDNXUCKSA-N 2 0 323.431 2.832 20 0 DFADRP CC[N@H+](Cc1ccc(C(=O)N[C@H]2CC[NH+](CC)C2)cc1)C(C)C ZINC000412829708 429108828 /nfs/dbraw/zinc/10/88/28/429108828.db2.gz ABHUXFCMPHOBIE-SFHVURJKSA-N 2 0 317.477 2.741 20 0 DFADRP COC(=O)CC1CC([NH2+]C2CC[NH+](CC3CCCC3)CC2)C1 ZINC000424275267 429117355 /nfs/dbraw/zinc/11/73/55/429117355.db2.gz WXOYBTNSGXRXAK-UHFFFAOYSA-N 2 0 308.466 2.572 20 0 DFADRP C[N@H+](CC1CC1)C[C@@H]1CCN(C[C@@H](C[NH3+])c2ccc(F)cc2)C1 ZINC000424277129 429118234 /nfs/dbraw/zinc/11/82/34/429118234.db2.gz BLZVVAKIUKDVAW-FUHWJXTLSA-N 2 0 319.468 2.532 20 0 DFADRP COc1cccc(OCC[N@@H+]2CC3(C[C@@H]2C)CC[NH2+]CC3)c1 ZINC000424287082 429119143 /nfs/dbraw/zinc/11/91/43/429119143.db2.gz IKHGTRZQSXUORE-HNNXBMFYSA-N 2 0 304.434 2.538 20 0 DFADRP Cc1ccc(CC[NH+]2CCC(n3ncc4c3C[NH2+]C4)CC2)cc1 ZINC000424284113 429119744 /nfs/dbraw/zinc/11/97/44/429119744.db2.gz CLSAUJCZQZZTNM-UHFFFAOYSA-N 2 0 310.445 2.674 20 0 DFADRP CCC[NH+]1CCC(N(C)C[C@H](C[NH3+])c2ccc(F)cc2)CC1 ZINC000424278690 429120165 /nfs/dbraw/zinc/12/01/65/429120165.db2.gz DWLDPZXYOAACHX-INIZCTEOSA-N 2 0 307.457 2.674 20 0 DFADRP C[C@@H]1CC2(C[N@@H+]1Cc1cc(-c3ccco3)on1)CC[NH2+]CC2 ZINC000424292013 429121031 /nfs/dbraw/zinc/12/10/31/429121031.db2.gz NXHPFSDWFAKLEI-CYBMUJFWSA-N 2 0 301.390 2.899 20 0 DFADRP C[C@H]1CC2(C[N@@H+]1CCc1ccc3c(c1)CCO3)CC[NH2+]CC2 ZINC000424291226 429121582 /nfs/dbraw/zinc/12/15/82/429121582.db2.gz NGUOKKUWUCOCQE-HNNXBMFYSA-N 2 0 300.446 2.628 20 0 DFADRP C[C@@H](N[C@@H]1CCc2nccn2C1)c1nc(Cc2ccccc2)no1 ZINC000376493267 429121842 /nfs/dbraw/zinc/12/18/42/429121842.db2.gz VLDAODDREHBZQY-UKRRQHHQSA-N 2 0 323.400 2.523 20 0 DFADRP CC(C)n1ccnc1CN1CCC[N@H+](CCOC2CCC2)CC1 ZINC000376502588 429123505 /nfs/dbraw/zinc/12/35/05/429123505.db2.gz QCJYFIKITCCIQW-UHFFFAOYSA-N 2 0 320.481 2.541 20 0 DFADRP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@@H](C1CCC1)C1CCCCC1 ZINC000424327123 429126439 /nfs/dbraw/zinc/12/64/39/429126439.db2.gz YPMODJOGGSBSCT-VQIMIIECSA-N 2 0 307.526 2.961 20 0 DFADRP CC(C)C[C@H](C[NH2+][C@H]1CC[N@H+](C)C[C@@H]1C)C(=O)OC(C)(C)C ZINC000424332849 429127940 /nfs/dbraw/zinc/12/79/40/429127940.db2.gz VPKNQXMLQXBMRJ-XHSDSOJGSA-N 2 0 312.498 2.920 20 0 DFADRP C[C@@H]1CCC[C@H](C[NH+]2CCC(n3ncc4c3C[NH2+]C4)CC2)C1 ZINC000424378373 429131744 /nfs/dbraw/zinc/13/17/44/429131744.db2.gz NALKVWIIIRFPBC-CABCVRRESA-N 2 0 302.466 2.950 20 0 DFADRP [NH3+][C@@H]1CCCC[C@H]1[NH2+]C1CCN(c2ccc(F)cc2F)CC1 ZINC000424376548 429132104 /nfs/dbraw/zinc/13/21/04/429132104.db2.gz POJZKGLOJRALPQ-HZPDHXFCSA-N 2 0 309.404 2.793 20 0 DFADRP COc1ccc(-c2ccncc2)cc1C[N@@H+]1C[C@H](C[NH3+])C[C@@H]1C ZINC000435373660 429133671 /nfs/dbraw/zinc/13/36/71/429133671.db2.gz NWTLVTMBFNOKJE-GJZGRUSLSA-N 2 0 311.429 2.926 20 0 DFADRP C[C@@H]1C[C@@H](C[NH3+])C[N@@H+]1Cc1ccccc1OCc1cccnc1 ZINC000435370804 429134197 /nfs/dbraw/zinc/13/41/97/429134197.db2.gz KDHBKBBRBNGLRI-WBVHZDCISA-N 2 0 311.429 2.830 20 0 DFADRP CCC1(CC)CN(C[N@@H+]2CC[C@@H](C3CC[NH+](C)CC3)C2)C(=O)O1 ZINC000494642713 429135116 /nfs/dbraw/zinc/13/51/16/429135116.db2.gz YXABBAJGCPNGPW-MRXNPFEDSA-N 2 0 323.481 2.619 20 0 DFADRP C[C@H]1C[C@H](C[NH3+])C[N@@H+]1Cc1ccc(OCc2cccnc2)cc1 ZINC000435376562 429136217 /nfs/dbraw/zinc/13/62/17/429136217.db2.gz RQKKVSFMKWVPAM-MAUKXSAKSA-N 2 0 311.429 2.830 20 0 DFADRP CCCC[NH+]1CCC(NC(=O)Nc2cc(C)cc(C[NH3+])c2)CC1 ZINC000424439846 429141491 /nfs/dbraw/zinc/14/14/91/429141491.db2.gz SOCLMMPERBQQTC-UHFFFAOYSA-N 2 0 318.465 2.840 20 0 DFADRP C[C@@H]1C[C@@H](NC[C@@H]2CCC[NH+]2C2CCCCC2)C[N@@H+]1C1CC1 ZINC000435749092 429161787 /nfs/dbraw/zinc/16/17/87/429161787.db2.gz RDDLEQULLCYBKM-MDZRGWNJSA-N 2 0 305.510 2.998 20 0 DFADRP CC1CC[NH+](CC2CCN(CCC[NH+]3CCCC3)CC2)CC1 ZINC000364053382 429163981 /nfs/dbraw/zinc/16/39/81/429163981.db2.gz FFUBORYGXNNKKS-UHFFFAOYSA-N 2 0 307.526 2.916 20 0 DFADRP c1ccc2c(c1)-c1ccccc1C2[N@@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000261690616 275068949 /nfs/dbraw/zinc/06/89/49/275068949.db2.gz NQAFXMGODVESCY-MRXNPFEDSA-N 2 0 319.452 2.736 20 0 DFADRP CC(C)[N@H+](C)CC1CC[NH+](CCNC(=O)OC(C)(C)C)CC1 ZINC000495043647 429173873 /nfs/dbraw/zinc/17/38/73/429173873.db2.gz BTFXGKWBLAXYMS-UHFFFAOYSA-N 2 0 313.486 2.563 20 0 DFADRP C[C@@H](CC[NH2+][C@H]1CCC(=O)NC1(C)C)[N@H+](C)Cc1ccccc1 ZINC000495077925 429177782 /nfs/dbraw/zinc/17/77/82/429177782.db2.gz GVAZFJYKPRBZKR-RDJZCZTQSA-N 2 0 317.477 2.544 20 0 DFADRP C[NH+](C)C1CCN(CC[NH2+][C@@H]2CS[C@H](C(C)(C)C)C2)CC1 ZINC000488586247 429185036 /nfs/dbraw/zinc/18/50/36/429185036.db2.gz VJMBEQDBONGGLO-HOCLYGCPSA-N 2 0 313.555 2.522 20 0 DFADRP CC[NH+](CC)CC1CCN(C(=O)[C@@H](C)[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000436244188 429192619 /nfs/dbraw/zinc/19/26/19/429192619.db2.gz CEWOIUFTRSNSAL-IXDOHACOSA-N 2 0 323.525 2.828 20 0 DFADRP CC[N@@H+]1CC[C@@H]([NH2+]C2CC(O)(Cc3cccc(F)c3)C2)[C@H](C)C1 ZINC000364482662 429211909 /nfs/dbraw/zinc/21/19/09/429211909.db2.gz JHLDAPCFUJEMBI-ZIPRAHGXSA-N 2 0 320.452 2.582 20 0 DFADRP CC[N@@H+]1CC[C@H]([NH2+]C2CC(O)(Cc3cccc(F)c3)C2)[C@H](C)C1 ZINC000364482660 429212454 /nfs/dbraw/zinc/21/24/54/429212454.db2.gz JHLDAPCFUJEMBI-SIBREGTBSA-N 2 0 320.452 2.582 20 0 DFADRP C[N@@H+]1CCC[C@H](N2CCN(Cc3ccc(Cl)cc3)CC2)C1 ZINC000364542309 429221995 /nfs/dbraw/zinc/22/19/95/429221995.db2.gz GUDNHBVRWZNMLB-KRWDZBQOSA-N 2 0 307.869 2.552 20 0 DFADRP CC[C@H](F)C[N@H+](C)CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000440792135 429228441 /nfs/dbraw/zinc/22/84/41/429228441.db2.gz QQDAPLLLSVDBEQ-KRWDZBQOSA-N 2 0 313.505 2.863 20 0 DFADRP CCC(=O)N1CCC[C@@H]1[C@H]1CCC[N@@H+]1CCC[NH+]1CCCCC1 ZINC000364591020 429231265 /nfs/dbraw/zinc/23/12/65/429231265.db2.gz LGNVWQGVVKQOBK-QZTJIDSGSA-N 2 0 321.509 2.728 20 0 DFADRP COc1cccc2c1CC[C@H]([NH2+][C@@H]1CC[N@@H+]3CCC[C@@H]3C1)C2 ZINC000365251486 429287163 /nfs/dbraw/zinc/28/71/63/429287163.db2.gz XFUWTTLTOAOCMO-GVDBMIGSSA-N 2 0 300.446 2.769 20 0 DFADRP CCOCc1cc(C[N@@H+]2CCC[C@H](CC[NH3+])C2)ccc1OC ZINC000442925137 429241054 /nfs/dbraw/zinc/24/10/54/429241054.db2.gz UMXMWZLIOAGCSA-OAHLLOKOSA-N 2 0 306.450 2.793 20 0 DFADRP C[NH+]1CCC(C)(C[NH2+][C@H]2CCC(=O)Nc3ccc(F)cc32)CC1 ZINC000364689967 429249889 /nfs/dbraw/zinc/24/98/89/429249889.db2.gz HOXFNCBKYOYMLT-HNNXBMFYSA-N 2 0 319.424 2.921 20 0 DFADRP Cc1c(F)cccc1NC(=O)CC[N@@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000444148062 429265243 /nfs/dbraw/zinc/26/52/43/429265243.db2.gz AKIBOOCLCWNPAN-OAHLLOKOSA-N 2 0 321.440 2.736 20 0 DFADRP C[NH+](C)[C@H]1CCc2cc(NC(=O)CC3CC[NH+](C)CC3)ccc21 ZINC000456272915 429268468 /nfs/dbraw/zinc/26/84/68/429268468.db2.gz LSXCNYUWNZRQAU-SFHVURJKSA-N 2 0 315.461 2.906 20 0 DFADRP CC(C)[C@@H](C(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C)[NH+](C)C ZINC000456275905 429268710 /nfs/dbraw/zinc/26/87/10/429268710.db2.gz NHAQMRAEWULOTP-SJORKVTESA-N 2 0 303.450 2.760 20 0 DFADRP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+][C@H](C)[C@H](C)CO)CC1 ZINC000449165489 429347390 /nfs/dbraw/zinc/34/73/90/429347390.db2.gz WLBNVGRQZSCUIJ-BRWVUGGUSA-N 2 0 304.478 2.689 20 0 DFADRP CC(C)(C)CC(C)(C)[NH+]1CCC([NH2+]C[C@@H]2COCCO2)CC1 ZINC000449089484 429329256 /nfs/dbraw/zinc/32/92/56/429329256.db2.gz KOXWEIIJYKJYRY-MRXNPFEDSA-N 2 0 312.498 2.671 20 0 DFADRP CC[N@@H+]1CC[C@@H](C[NH2+]Cc2ccc3c(c2)OCCCCO3)C1 ZINC000449091948 429329477 /nfs/dbraw/zinc/32/94/77/429329477.db2.gz RXOZSVVOZUJDBR-INIZCTEOSA-N 2 0 304.434 2.669 20 0 DFADRP C[NH+](C)CCOc1cccc(C[NH2+][C@H]2CCOC3(CCC3)C2)c1 ZINC000449092234 429329766 /nfs/dbraw/zinc/32/97/66/429329766.db2.gz SQLAYZSIHFVQMP-KRWDZBQOSA-N 2 0 318.461 2.818 20 0 DFADRP COCCN1CCC[C@@H]1C[NH2+]C1CCC(CSC)CC1 ZINC000449119004 429336750 /nfs/dbraw/zinc/33/67/50/429336750.db2.gz VRRNIOWUAWLRSC-UYSNPLJNSA-N 2 0 300.512 2.609 20 0 DFADRP CC(C)C[C@@H](C[N@@H+]1CC[C@H](N2CC[NH2+]CC2)C1)c1ccccc1 ZINC000504438641 429337140 /nfs/dbraw/zinc/33/71/40/429337140.db2.gz NGIJFWYANWGQJS-PMACEKPBSA-N 2 0 315.505 2.796 20 0 DFADRP NC(=O)[C@@H]1CCC[N@H+](CCC[NH2+][C@H]2CCCC23CCCCC3)C1 ZINC000449137611 429341344 /nfs/dbraw/zinc/34/13/44/429341344.db2.gz YOMPFISXATWKQJ-SJORKVTESA-N 2 0 321.509 2.666 20 0 DFADRP CO[C@@H](C[N@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1)C1CC1 ZINC000425425293 429292468 /nfs/dbraw/zinc/29/24/68/429292468.db2.gz YBOLOJINPACHBG-HKUYNNGSSA-N 2 0 302.462 2.865 20 0 DFADRP CO[C@@H](C[N@@H+]1CC[C@@H](n2c(C)nc3c2CCCC3)C1)C1CC1 ZINC000425432741 429295128 /nfs/dbraw/zinc/29/51/28/429295128.db2.gz JFBSHVGRMZUEGP-QAPCUYQASA-N 2 0 303.450 2.742 20 0 DFADRP CO[C@H](C[N@@H+]1CC[C@@H](n2c(C)nc3c2CCCC3)C1)C1CC1 ZINC000425432739 429295491 /nfs/dbraw/zinc/29/54/91/429295491.db2.gz JFBSHVGRMZUEGP-CRAIPNDOSA-N 2 0 303.450 2.742 20 0 DFADRP C[N@@H+]1CC[C@@]2(CCN(Cc3ccc4c(c3)OCCCCO4)C2)C1 ZINC000449339135 429391676 /nfs/dbraw/zinc/39/16/76/429391676.db2.gz JKVABXAIDBEGIF-LJQANCHMSA-N 2 0 316.445 2.766 20 0 DFADRP C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)C[C@@H]2CCCC[C@H]2[NH3+])C1 ZINC000449337662 429393294 /nfs/dbraw/zinc/39/32/94/429393294.db2.gz QQRXFOGSTLLTFS-VVLHAWIVSA-N 2 0 323.525 2.767 20 0 DFADRP CC(C)[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2CCCC[NH+]2C2CCCC2)C1 ZINC000457084830 429396387 /nfs/dbraw/zinc/39/63/87/429396387.db2.gz GWFOMZCMFNLKFK-ROUUACIJSA-N 2 0 321.509 2.725 20 0 DFADRP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C1(C[NH+](C)C)CCCCC1 ZINC000426622114 429404517 /nfs/dbraw/zinc/40/45/17/429404517.db2.gz BSTHGRQTOGXRQF-SJORKVTESA-N 2 0 321.509 2.584 20 0 DFADRP C[C@@H]1C[C@@H](CC[NH2+]Cc2cc(C3CC[NH2+]CC3)no2)C[C@H](C)O1 ZINC000425895354 429349308 /nfs/dbraw/zinc/34/93/08/429349308.db2.gz IXDUIXRCUXRARS-QDMKHBRRSA-N 2 0 321.465 2.825 20 0 DFADRP c1c(C[NH2+]CCOC2CCCCC2)onc1C1CC[NH2+]CC1 ZINC000425894965 429349382 /nfs/dbraw/zinc/34/93/82/429349382.db2.gz HVSGDOMPMLSCSQ-UHFFFAOYSA-N 2 0 307.438 2.581 20 0 DFADRP C[C@@H](CCO)C[NH2+]C1CC[NH+]([C@@H](C)Cc2ccccc2)CC1 ZINC000449169695 429349522 /nfs/dbraw/zinc/34/95/22/429349522.db2.gz DPKHTKFOTYPMCW-IRXDYDNUSA-N 2 0 304.478 2.690 20 0 DFADRP FC(F)(F)C1(C[NH2+]Cc2cc(C3CC[NH2+]CC3)no2)CC1 ZINC000425896772 429350049 /nfs/dbraw/zinc/35/00/49/429350049.db2.gz QRYBJIGJIZZHDQ-UHFFFAOYSA-N 2 0 303.328 2.574 20 0 DFADRP COc1cc(C)c(C[C@@H](C)[NH2+]C[C@@H](C)C[NH+](C)C)cc1OC ZINC000425914064 429350089 /nfs/dbraw/zinc/35/00/89/429350089.db2.gz AUCMELHWWIKMMM-UKRRQHHQSA-N 2 0 308.466 2.731 20 0 DFADRP C[C@@H]1CCCC[C@H]1OCC[NH2+]Cc1cc(C2CC[NH2+]CC2)no1 ZINC000425901543 429351426 /nfs/dbraw/zinc/35/14/26/429351426.db2.gz PZKWHWUOUZIJAA-RDTXWAMCSA-N 2 0 321.465 2.827 20 0 DFADRP C[C@@H]1[C@@H](CO)CC[N@@H+]1CC(C)(C)C[NH+](C)Cc1ccccc1 ZINC000425977484 429357361 /nfs/dbraw/zinc/35/73/61/429357361.db2.gz VITZGDRHLBVUHJ-SJLPKXTDSA-N 2 0 304.478 2.847 20 0 DFADRP CC[NH+](CC)CCOCC[NH2+][C@@H]1CCc2c(cccc2OC)C1 ZINC000426026356 429360359 /nfs/dbraw/zinc/36/03/59/429360359.db2.gz ZAYXGTGZDAHKFU-QGZVFWFLSA-N 2 0 320.477 2.501 20 0 DFADRP CC[C@H]([NH2+]Cc1ccccc1C[N@@H+]1CC[C@H](O)C1)C1CCC1 ZINC000449236042 429362900 /nfs/dbraw/zinc/36/29/00/429362900.db2.gz WMAYLBRQAHZXBT-OALUTQOASA-N 2 0 302.462 2.922 20 0 DFADRP C[N@@H+]1CC[C@H]([NH2+]CCCN2CCc3ccccc32)[C@H]2CCC[C@@H]21 ZINC000513755177 429362933 /nfs/dbraw/zinc/36/29/33/429362933.db2.gz QKBFGXNVIWPZGV-HBFSDRIKSA-N 2 0 313.489 2.902 20 0 DFADRP Cc1cccc(CC[NH2+]Cc2ccccc2C[N@@H+]2CC[C@H](O)C2)c1 ZINC000449231890 429363893 /nfs/dbraw/zinc/36/38/93/429363893.db2.gz GESXJOJHKYUQNI-NRFANRHFSA-N 2 0 324.468 2.894 20 0 DFADRP CCN(CC[NH2+][C@@H]1CC[N@H+](CC)C[C@H]1C)CCC(F)(F)F ZINC000426079369 429365327 /nfs/dbraw/zinc/36/53/27/429365327.db2.gz PEWKBNCQEIEDPA-ZIAGYGMSSA-N 2 0 309.420 2.581 20 0 DFADRP C/C=C/C[C@H](CO)[NH2+]C1CC[NH+]([C@H](C)Cc2ccccc2)CC1 ZINC000449252735 429367783 /nfs/dbraw/zinc/36/77/83/429367783.db2.gz WEFDHURWKIRQGG-OQRUQETBSA-N 2 0 316.489 2.999 20 0 DFADRP O=C(NCCC[NH+]1CCCCC1)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000365784431 429371831 /nfs/dbraw/zinc/37/18/31/429371831.db2.gz FYOWTSGZIICNSL-QGZVFWFLSA-N 2 0 321.509 2.633 20 0 DFADRP CCOC1CC(O)(C[NH2+]C2CC[NH+](CC3CCCCC3)CC2)C1 ZINC000365811191 429378247 /nfs/dbraw/zinc/37/82/47/429378247.db2.gz CQLQRLUDKMRWCJ-UHFFFAOYSA-N 2 0 324.509 2.551 20 0 DFADRP C[N@@H+]1CC[C@H]([NH2+][C@@H]2CCN(c3ccccc3F)C2)[C@@H]2CCC[C@H]21 ZINC000426296009 429380071 /nfs/dbraw/zinc/38/00/71/429380071.db2.gz PBXAPZNLIQUUDP-MXSMSXNCSA-N 2 0 317.452 2.867 20 0 DFADRP CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)[C@@H]2CCC[NH+]2C2CC2)C1 ZINC000426294279 429380442 /nfs/dbraw/zinc/38/04/42/429380442.db2.gz SWUSWCOQIYRRKQ-WBVHZDCISA-N 2 0 321.509 2.630 20 0 DFADRP C[NH+](C)CC1(C(=O)N2CC[C@H]([NH+]3CCCCC3)C2)CCCCC1 ZINC000426377520 429385617 /nfs/dbraw/zinc/38/56/17/429385617.db2.gz IJAPDSDAMJMBQN-KRWDZBQOSA-N 2 0 321.509 2.585 20 0 DFADRP CC1CC[NH+](CCCCNC(=O)C[C@@H]2CCCC[C@@H]2[NH3+])CC1 ZINC000449324368 429387480 /nfs/dbraw/zinc/38/74/80/429387480.db2.gz DVFRWOBTPUKWLN-IRXDYDNUSA-N 2 0 309.498 2.522 20 0 DFADRP C[N@H+](CCCN1CC[NH+](C)CC1)Cc1cccc2ccoc21 ZINC000449325774 429388195 /nfs/dbraw/zinc/38/81/95/429388195.db2.gz PNAJCHISKAOEDI-UHFFFAOYSA-N 2 0 301.434 2.502 20 0 DFADRP CCC[N@@H+](CCc1cccc(C)c1)CCN1CC[NH+](CC)CC1 ZINC000449327241 429389156 /nfs/dbraw/zinc/38/91/56/429389156.db2.gz CBEYIJDAPPLCPM-UHFFFAOYSA-N 2 0 317.521 2.887 20 0 DFADRP CCC[N@H+](CCN1CC[NH+](CC)CC1)Cc1csc(C)c1 ZINC000449330546 429389472 /nfs/dbraw/zinc/38/94/72/429389472.db2.gz UQHWUPZKNHHBGR-UHFFFAOYSA-N 2 0 309.523 2.906 20 0 DFADRP CCc1oc2ccccc2c1CN(CC[NH+](C)C)CC[NH+](C)C ZINC000518952150 429439615 /nfs/dbraw/zinc/43/96/15/429439615.db2.gz IOACXBCALLXOOP-UHFFFAOYSA-N 2 0 317.477 2.920 20 0 DFADRP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1NC(=O)C[C@H]1CCC[NH2+]CC1 ZINC000427269066 429442080 /nfs/dbraw/zinc/44/20/80/429442080.db2.gz GHQUMTSURTUWME-BZSNNMDCSA-N 2 0 323.525 2.783 20 0 DFADRP CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)C[C@@H]2CCC[NH2+]CC2)C1 ZINC000427294462 429444250 /nfs/dbraw/zinc/44/42/50/429444250.db2.gz ITZXTSSOFKVFIX-DLBZAZTESA-N 2 0 323.525 2.783 20 0 DFADRP FC(F)(F)CN1CCC([NH2+]C2CC([NH+]3CCCCC3)C2)CC1 ZINC000366267664 429444890 /nfs/dbraw/zinc/44/48/90/429444890.db2.gz JSDDPAVSXGWLAV-UHFFFAOYSA-N 2 0 319.415 2.620 20 0 DFADRP CC[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)[C@@H](C)O ZINC000449541116 429448611 /nfs/dbraw/zinc/44/86/11/429448611.db2.gz JVQXCXCFCAMZFR-JUFRUHRKSA-N 2 0 302.462 2.931 20 0 DFADRP C[C@@H]([NH2+]CCc1ccc(Br)cc1)[C@H]1CCC[NH2+]C1 ZINC000519138331 429449028 /nfs/dbraw/zinc/44/90/28/429449028.db2.gz WJOMMJIMABZRFL-OCCSQVGLSA-N 2 0 311.267 2.969 20 0 DFADRP CC[C@H](NC(=O)CN1CC[C@H]([NH3+])C[C@@H]1C)c1ccc(Cl)cc1 ZINC000519540852 429462512 /nfs/dbraw/zinc/46/25/12/429462512.db2.gz CSGDVQFRYYSACW-RCBQFDQVSA-N 2 0 323.868 2.719 20 0 DFADRP c1ccc(-c2ncc(C[NH+]3CCC([C@@H]4CC[NH2+]C4)CC3)cn2)cc1 ZINC000519547843 429464671 /nfs/dbraw/zinc/46/46/71/429464671.db2.gz WMGUMGQQTFIAJH-LJQANCHMSA-N 2 0 322.456 2.965 20 0 DFADRP CC[C@H](C)NC(=O)c1cccc(C[NH2+][C@H](C)[C@H]2CCC[NH2+]C2)c1 ZINC000519596456 429469054 /nfs/dbraw/zinc/46/90/54/429469054.db2.gz QQUBTSGUSSOIKZ-DAYGRLMNSA-N 2 0 317.477 2.693 20 0 DFADRP CC(C)c1ccc(CC[NH2+]CCC[NH+]2CCC(O)CC2)cc1 ZINC000122265606 275737856 /nfs/dbraw/zinc/73/78/56/275737856.db2.gz LEESSUPMLBDPGI-UHFFFAOYSA-N 2 0 304.478 2.789 20 0 DFADRP CC[N@H+](Cc1ccc(C(=O)NC(C)(C)C[NH+](C)C)cc1)C1CC1 ZINC000457214754 429426691 /nfs/dbraw/zinc/42/66/91/429426691.db2.gz XTPQJGOLDOKVFW-UHFFFAOYSA-N 2 0 317.477 2.741 20 0 DFADRP CCC[NH+](CCC)CCCC(=O)N1CCCC[C@@H]1C[NH+](C)C ZINC000518689951 429430843 /nfs/dbraw/zinc/43/08/43/429430843.db2.gz XCZBTINSUDWFIA-QGZVFWFLSA-N 2 0 311.514 2.831 20 0 DFADRP COc1ccc(CN2CC[C@H]3[NH2+]CC[C@@H]3C2)cc1OCC(C)C ZINC000427101208 429431289 /nfs/dbraw/zinc/43/12/89/429431289.db2.gz QDESDMVWWSTMLY-IAGOWNOFSA-N 2 0 318.461 2.914 20 0 DFADRP C[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+][C@@H]2CCn3ccnc3C2)CC1 ZINC000427873370 429476230 /nfs/dbraw/zinc/47/62/30/429476230.db2.gz KVVWIVGNZGQTKK-NXHRZFHOSA-N 2 0 316.493 2.831 20 0 DFADRP CC(C)[C@H](O)C[NH2+][C@H]1CCN(Cc2ccccc2)CC1(C)C ZINC000366604130 429486537 /nfs/dbraw/zinc/48/65/37/429486537.db2.gz RXEARFGBGSPKRM-MSOLQXFVSA-N 2 0 304.478 2.894 20 0 DFADRP C[C@H](c1ccccc1)[C@@H](O)C[NH2+]CC(C)(C)C[NH+]1CCCC1 ZINC000519817654 429492395 /nfs/dbraw/zinc/49/23/95/429492395.db2.gz GXLGGIHKTPDAAQ-AEFFLSMTSA-N 2 0 304.478 2.863 20 0 DFADRP CC[NH+]1CCN(CC(C)(C)[NH2+]C/C=C\c2ccccc2)CC1 ZINC000449747196 429495768 /nfs/dbraw/zinc/49/57/68/429495768.db2.gz VXEWFMLCUMAOEW-FLIBITNWSA-N 2 0 301.478 2.706 20 0 DFADRP CC[NH+]1CCN(CC(C)(C)[NH2+]Cc2sccc2Cl)CC1 ZINC000449744464 429495847 /nfs/dbraw/zinc/49/58/47/429495847.db2.gz HIJPXQPBXNEQJB-UHFFFAOYSA-N 2 0 315.914 2.907 20 0 DFADRP Cc1nnc(CN2CCC(CC[N@H+]3CCCC[C@@H]3C)CC2)[nH]1 ZINC000428362409 429514246 /nfs/dbraw/zinc/51/42/46/429514246.db2.gz HZBDYZAOOBJUBY-AWEZNQCLSA-N 2 0 305.470 2.590 20 0 DFADRP C[C@H]1C[C@H](NCCC[NH+]2CCC2)CC[N@@H+]1Cc1ccccc1 ZINC000520428178 429515257 /nfs/dbraw/zinc/51/52/57/429515257.db2.gz MYVCSRDKUCBEDB-PKOBYXMFSA-N 3 0 301.478 2.725 20 0 DFADRP CC(C)[N@@H+]1CCCN(C(=O)[C@H]2CCCC[NH+]2C2CCCC2)CC1 ZINC000449844640 429523166 /nfs/dbraw/zinc/52/31/66/429523166.db2.gz XBUPYLZQIWPHSW-GOSISDBHSA-N 2 0 321.509 2.726 20 0 DFADRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H]2CCC23CCOCC3)[C@H](C)C1 ZINC000367050964 429565502 /nfs/dbraw/zinc/56/55/02/429565502.db2.gz URNFIMQMWYGVFI-SQNIBIBYSA-N 2 0 324.509 2.672 20 0 DFADRP C[C@@H](c1ccccc1F)[N@@H+]1CCC[C@H](CN2CC[NH+](C)CC2)C1 ZINC000367108140 429579270 /nfs/dbraw/zinc/57/92/70/429579270.db2.gz CIRZHWMVYMXUSN-DLBZAZTESA-N 2 0 319.468 2.846 20 0 DFADRP CCn1nccc1CC[NH+]1CCC2(C[C@@H]2C[N@H+](C)C2CC2)CC1 ZINC000367122184 429583419 /nfs/dbraw/zinc/58/34/19/429583419.db2.gz XVXFUOJGMAXSHL-MRXNPFEDSA-N 2 0 316.493 2.642 20 0 DFADRP C[C@@H](C(=O)NCC1([NH3+])CCCCCC1)[N@H+](C)Cc1ccccc1 ZINC000428587354 429534775 /nfs/dbraw/zinc/53/47/75/429534775.db2.gz XOYXDORRLCYAMI-INIZCTEOSA-N 2 0 317.477 2.675 20 0 DFADRP Cc1cc(NC[C@H]2CSCC[N@@H+]2Cc2ccccc2)cc[nH+]1 ZINC000428665641 429542737 /nfs/dbraw/zinc/54/27/37/429542737.db2.gz FCXUSBWJYSWGRC-SFHVURJKSA-N 2 0 313.470 2.841 20 0 DFADRP CN1CC[NH+]=C1NC[C@@H]1CCC[N@H+](C)[C@H]1c1cccc(Cl)c1 ZINC000366932235 429544031 /nfs/dbraw/zinc/54/40/31/429544031.db2.gz JXLIYHYETJSBHK-HOCLYGCPSA-N 2 0 320.868 2.614 20 0 DFADRP C[N@H+](C[C@@H]1CC12CC[NH+](Cc1nccn1C(F)F)CC2)C1CC1 ZINC000367307973 429617119 /nfs/dbraw/zinc/61/71/19/429617119.db2.gz AMVYLRQNPWOZJB-ZDUSSCGKSA-N 2 0 324.419 2.975 20 0 DFADRP C[C@H](c1ccccc1)[C@H](O)C[N@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000450438098 429625215 /nfs/dbraw/zinc/62/52/15/429625215.db2.gz JWYDSTRZYDWBSN-NZSAHSFTSA-N 2 0 304.478 2.957 20 0 DFADRP CCCCC[C@@H](C)NC(=O)C[N@@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000367199187 429596491 /nfs/dbraw/zinc/59/64/91/429596491.db2.gz INGQDDDIFJUGPX-QGZVFWFLSA-N 2 0 323.525 2.879 20 0 DFADRP CN(CC(=O)NCCC1CCCCC1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000367210652 429596958 /nfs/dbraw/zinc/59/69/58/429596958.db2.gz GUOXEDVNYZQRHS-JWTNVVGKSA-N 2 0 321.509 2.630 20 0 DFADRP C[C@H](C(=O)N[C@H](C[NH3+])C1CCCCC1)[N@H+](C)Cc1ccccc1 ZINC000429352041 429601881 /nfs/dbraw/zinc/60/18/81/429601881.db2.gz HIDBKIVRAOWQAK-CRAIPNDOSA-N 2 0 317.477 2.531 20 0 DFADRP OC[C@H]1C[N@H+](CCC[NH+]2CCCC2)CC[C@H]1c1ccccc1 ZINC000367243236 429602611 /nfs/dbraw/zinc/60/26/11/429602611.db2.gz IOSMIPXUQWIHPV-MOPGFXCFSA-N 2 0 302.462 2.570 20 0 DFADRP COC1(C[C@H](C)[NH2+]CCCC[NH+]2C[C@@H](C)O[C@H](C)C2)CCC1 ZINC000429402008 429607721 /nfs/dbraw/zinc/60/77/21/429607721.db2.gz HWGROQISZXWJJE-GVDBMIGSSA-N 2 0 312.498 2.813 20 0 DFADRP COC1(C[C@@H](C)[NH2+]CCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CCC1 ZINC000429402013 429607772 /nfs/dbraw/zinc/60/77/72/429607772.db2.gz HWGROQISZXWJJE-ZACQAIPSSA-N 2 0 312.498 2.813 20 0 DFADRP CCc1cc(N2CCC(OCC[NH+](CC)CC)CC2)cc[nH+]1 ZINC000450361592 429608842 /nfs/dbraw/zinc/60/88/42/429608842.db2.gz FVZKQUUIJSBXBB-UHFFFAOYSA-N 2 0 305.466 2.971 20 0 DFADRP C[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+][C@H](CO)CC(F)F)CC1 ZINC000429470202 429611689 /nfs/dbraw/zinc/61/16/89/429611689.db2.gz MMPKRFPEYMQAKC-VHDGCEQUSA-N 2 0 304.425 2.635 20 0 DFADRP C[N@@H+]1CC[C@H]([NH2+]Cc2cnn(-c3ccccc3)c2)[C@H]2CCC[C@@H]21 ZINC000367517922 429664716 /nfs/dbraw/zinc/66/47/16/429664716.db2.gz FILBQPNWYKPMAG-QYZOEREBSA-N 2 0 310.445 2.835 20 0 DFADRP C[C@@H]1C[N@H+](CC23CCC(CC2)C3)CC[C@H]1N1CC[NH+](C)CC1 ZINC000450640751 429668344 /nfs/dbraw/zinc/66/83/44/429668344.db2.gz GWNDGZJZCGJRLT-TXQGORRRSA-N 2 0 305.510 2.525 20 0 DFADRP CC(C)c1ccc([C@H]([NH3+])CNC(=O)C2([NH3+])CCCCC2)cc1 ZINC000262464116 276057787 /nfs/dbraw/zinc/05/77/87/276057787.db2.gz WXFMZDOCHQZHOL-MRXNPFEDSA-N 2 0 303.450 2.588 20 0 DFADRP CCN(C(=O)CCC[NH2+]C)[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000368453899 276060431 /nfs/dbraw/zinc/06/04/31/276060431.db2.gz NCBYYDWSATZBEX-SJLPKXTDSA-N 2 0 317.477 2.670 20 0 DFADRP CC[NH+](CC)CCOCC[NH2+][C@@H]1CCCc2ccc(O)cc21 ZINC000361002533 276100124 /nfs/dbraw/zinc/10/01/24/276100124.db2.gz KGUGEFQASKHVMZ-GOSISDBHSA-N 2 0 306.450 2.718 20 0 DFADRP CC[NH+](CC)C[C@@H]1CC[N@H+](C[C@H](O)CCc2ccccc2)C1 ZINC000182424032 276106418 /nfs/dbraw/zinc/10/64/18/276106418.db2.gz UEKCUZNVJXIUKL-RBUKOAKNSA-N 2 0 304.478 2.644 20 0 DFADRP CC[NH+](CC)C[C@H]1CC[N@H+](C[C@@H](O)CCc2ccccc2)C1 ZINC000248597809 276109609 /nfs/dbraw/zinc/10/96/09/276109609.db2.gz UEKCUZNVJXIUKL-MOPGFXCFSA-N 2 0 304.478 2.644 20 0 DFADRP CC[N@@H+]1CCCC[C@H]1C(=O)NCCCCC[NH+]1CCCCC1 ZINC000111039368 276158963 /nfs/dbraw/zinc/15/89/63/276158963.db2.gz QJPJQZVDPCKGCZ-KRWDZBQOSA-N 2 0 309.498 2.633 20 0 DFADRP CC[NH+]1CCN([C@@H]2CC[N@@H+]([C@@H]3CCc4ccc(F)cc43)C2)CC1 ZINC000177026184 276198629 /nfs/dbraw/zinc/19/86/29/276198629.db2.gz XJNNYXLWTGPBCF-IEBWSBKVSA-N 2 0 317.452 2.525 20 0 DFADRP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+]C[C@H](C)OC)CC1 ZINC000182432696 276203175 /nfs/dbraw/zinc/20/31/75/276203175.db2.gz MRHLTOCJTYZJKF-GJZGRUSLSA-N 2 0 323.456 2.653 20 0 DFADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@@H]2COC3(CCC(C)CC3)O2)[C@@H](C)C1 ZINC000245558919 276229183 /nfs/dbraw/zinc/22/91/83/276229183.db2.gz HIYPJTFJUOXKLO-RGUZKJPTSA-N 2 0 310.482 2.628 20 0 DFADRP CC[N@@H+]1CC[C@H]([NH2+][C@H]2CCOC3(CCSCC3)C2)[C@@H](C)C1 ZINC000358311918 276231515 /nfs/dbraw/zinc/23/15/15/276231515.db2.gz ABEVENBTTSHEOB-JYJNAYRXSA-N 2 0 312.523 2.751 20 0 DFADRP C[C@@H](O)CCC[NH2+][C@H]1[C@H](C)C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000450740318 429690080 /nfs/dbraw/zinc/69/00/80/429690080.db2.gz UTHOJYXSBIZTFK-NTDBWNAOSA-N 2 0 304.478 2.894 20 0 DFADRP CCC[NH+]1CCC(N[C@H](C[NH+](C)C)c2ccc(F)cc2)CC1 ZINC000286918799 276258116 /nfs/dbraw/zinc/25/81/16/276258116.db2.gz FLVBXWQAKAESEU-GOSISDBHSA-N 2 0 307.457 2.892 20 0 DFADRP Cc1c(F)cccc1NC(=O)CC[N@@H+](C)CC[C@@H]([NH3+])C(C)C ZINC000430579272 429695348 /nfs/dbraw/zinc/69/53/48/429695348.db2.gz YJPYPELGLQXHNX-OAHLLOKOSA-N 2 0 309.429 2.768 20 0 DFADRP C[C@@H]([NH3+])[C@@H]1CCC[N@H+](CCCc2nc(-c3ccccc3)no2)C1 ZINC000430583780 429696111 /nfs/dbraw/zinc/69/61/11/429696111.db2.gz TUJBPACJEXHYON-GDBMZVCRSA-N 2 0 314.433 2.728 20 0 DFADRP Cc1ccccc1-c1noc([C@H](C)[NH+]2CCC(C[NH3+])CC2)n1 ZINC000430622411 429702717 /nfs/dbraw/zinc/70/27/17/429702717.db2.gz FVNVZPDDWVAKOR-ZDUSSCGKSA-N 2 0 300.406 2.777 20 0 DFADRP C[NH2+]C[C@@H]1CCCN([C@@H](C)C(=O)Nc2cccc(SC)c2)C1 ZINC000430633898 429703995 /nfs/dbraw/zinc/70/39/95/429703995.db2.gz CJOFJVDGRRAEOH-KBPBESRZSA-N 2 0 321.490 2.667 20 0 DFADRP Cc1cc(C[N@H+]2CCC[C@@H](CN3CC[NH+](C)CC3)C2)ccc1F ZINC000367724144 429707164 /nfs/dbraw/zinc/70/71/64/429707164.db2.gz WBIMGPFAPPJPQD-SFHVURJKSA-N 2 0 319.468 2.594 20 0 DFADRP C[N@H+](CCNC(=O)[C@H]1CCCCCC[C@H]1[NH3+])C1CCCCC1 ZINC000430683184 429709492 /nfs/dbraw/zinc/70/94/92/429709492.db2.gz JNGIZTZAVJQEGV-DLBZAZTESA-N 2 0 309.498 2.665 20 0 DFADRP C([NH+]1CCC[C@@H]1C1CC1)C1(C[N@@H+]2CCC[C@@H]2C2CC2)COC1 ZINC000367794167 429719296 /nfs/dbraw/zinc/71/92/96/429719296.db2.gz KYPPRJKTQGFDON-QZTJIDSGSA-N 2 0 304.478 2.752 20 0 DFADRP C[C@@H](CC(=O)NCC1([NH+](C)C)CCCCCC1)[C@H]1CCC[NH2+]C1 ZINC000430840591 429719528 /nfs/dbraw/zinc/71/95/28/429719528.db2.gz YEDNACYSITXFMO-IRXDYDNUSA-N 2 0 323.525 2.783 20 0 DFADRP c1cnc(Oc2ccc(C[NH+]3CCC4(CC[NH2+]C4)CC3)cc2)cn1 ZINC000430914535 429723537 /nfs/dbraw/zinc/72/35/37/429723537.db2.gz LKBFIMFXNXRARU-UHFFFAOYSA-N 2 0 324.428 2.844 20 0 DFADRP FC(F)COc1ccc(C[NH+]2CCC3(CC[NH2+]C3)CC2)cc1 ZINC000430946846 429727270 /nfs/dbraw/zinc/72/72/70/429727270.db2.gz BTPYUYAZHMAEHL-UHFFFAOYSA-N 2 0 310.388 2.906 20 0 DFADRP C[C@@H]1C[N@H+](C)CC[C@H]1NC[C@@H]1CCC[NH+]1CC1CCCCC1 ZINC000482892841 429727661 /nfs/dbraw/zinc/72/76/61/429727661.db2.gz YSKGOBHORPZWPJ-NZSAHSFTSA-N 2 0 307.526 2.961 20 0 DFADRP C[NH2+]CC1CC[NH+]([C@@H](C)C(=O)Nc2c(C)cc(C)cc2C)CC1 ZINC000430951085 429727926 /nfs/dbraw/zinc/72/79/26/429727926.db2.gz KJQVHSCMECBKLR-INIZCTEOSA-N 2 0 317.477 2.870 20 0 DFADRP C[C@H](c1nc(-c2ccccc2)no1)[NH+]1CCC([C@H](C)[NH3+])CC1 ZINC000430962789 429732571 /nfs/dbraw/zinc/73/25/71/429732571.db2.gz HUXYYCOYZZVITQ-QWHCGFSZSA-N 2 0 300.406 2.857 20 0 DFADRP C[C@H](C(=O)Nc1cccc(Cl)c1)[NH+]1CCC2(CC[NH2+]C2)CC1 ZINC000431024053 429735098 /nfs/dbraw/zinc/73/50/98/429735098.db2.gz ULMWLVOCHBCVJP-CYBMUJFWSA-N 2 0 321.852 2.743 20 0 DFADRP Cc1ccc(C[C@@H]2CCC[N@@H+]2Cc2nc(C(C)(C)[NH3+])no2)cc1 ZINC000431073882 429739964 /nfs/dbraw/zinc/73/99/64/429739964.db2.gz NIVKASKKKUPGHX-HNNXBMFYSA-N 2 0 314.433 2.779 20 0 DFADRP O=C(C[C@@H]1CCC[NH2+]1)Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC000431067341 429740560 /nfs/dbraw/zinc/74/05/60/429740560.db2.gz VZPGPQHOUZDWNT-SFHVURJKSA-N 2 0 315.461 2.796 20 0 DFADRP c1cnn(CCC[NH2+][C@@H]2C[C@H](C3CC3)N(Cc3ccccc3)C2)c1 ZINC000367908890 429741437 /nfs/dbraw/zinc/74/14/37/429741437.db2.gz DIGPRYAQVVYUKD-WOJBJXKFSA-N 2 0 324.472 2.916 20 0 DFADRP C[C@H]1C[C@@H]([NH+]2CCCC2)CN1CC[N@H+](C)Cc1ccccc1 ZINC000450980928 429744854 /nfs/dbraw/zinc/74/48/54/429744854.db2.gz HCRCSOWOXNMIBM-PKOBYXMFSA-N 2 0 301.478 2.677 20 0 DFADRP Cn1cc(C[N@@H+]2CC[C@H](C3CC[NH+](C)CC3)C2)c(C(C)(C)C)n1 ZINC000368136404 429796310 /nfs/dbraw/zinc/79/63/10/429796310.db2.gz UTIIJTATPCMKMT-INIZCTEOSA-N 2 0 318.509 2.881 20 0 DFADRP Cc1nc2c(n1[C@@H]1CC[N@H+](C[C@@H]3CCCOC3)C1)CCCC2 ZINC000432081751 429798384 /nfs/dbraw/zinc/79/83/84/429798384.db2.gz RUOOZVSBIAYYQX-JKSUJKDBSA-N 2 0 303.450 2.744 20 0 DFADRP C[N@@H+]1CCCC[C@H]1CC[NH+]1CC[C@@H](n2cnc3c2CCCC3)C1 ZINC000432093045 429799973 /nfs/dbraw/zinc/79/99/73/429799973.db2.gz ZYHGJNSRHMPBLJ-DLBZAZTESA-N 2 0 316.493 2.883 20 0 DFADRP Cc1cnn(C)c1CN1C[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000367955265 429752575 /nfs/dbraw/zinc/75/25/75/429752575.db2.gz BBIWMINIIHEBMT-RTBURBONSA-N 2 0 324.472 2.682 20 0 DFADRP COC(=O)CCC1CC[NH+](CCCc2ccc(C)nc2)CC1 ZINC000527511553 429753856 /nfs/dbraw/zinc/75/38/56/429753856.db2.gz FKSJJZJLUVVYIJ-UHFFFAOYSA-N 2 0 304.434 2.988 20 0 DFADRP C[C@H]([NH2+]Cc1cccc(C(=O)NCC[NH+](C)C)c1)[C@H]1CC1(C)C ZINC000486943355 429754715 /nfs/dbraw/zinc/75/47/15/429754715.db2.gz WKOXDQUVPANDTE-WMLDXEAASA-N 2 0 317.477 2.502 20 0 DFADRP C[C@H]1C[C@H]1[N@@H+]1CCN(CC[NH+](C)Cc2ccccc2)C[C@@H](C)C1 ZINC000451057267 429756939 /nfs/dbraw/zinc/75/69/39/429756939.db2.gz CQVBNHWJIBYGDM-WSTZPKSXSA-N 2 0 315.505 2.781 20 0 DFADRP C[C@@H]1C[C@@H]1[N@@H+]1CCN(CC[NH+](C)Cc2ccccc2)C[C@@H](C)C1 ZINC000451057264 429757409 /nfs/dbraw/zinc/75/74/09/429757409.db2.gz CQVBNHWJIBYGDM-GGPKGHCWSA-N 2 0 315.505 2.781 20 0 DFADRP Cn1c2cc(F)ccc2nc1N1CCC[C@@H]2C[N@H+](C)CC[C@@H]21 ZINC000431407124 429758342 /nfs/dbraw/zinc/75/83/42/429758342.db2.gz XMVJPPGFHXTCRP-DOMZBBRYSA-N 2 0 302.397 2.633 20 0 DFADRP c1cc2ccc(C[NH2+]C3CC[NH+](C[C@@H]4CCOC4)CC3)cc2[nH]1 ZINC000527662944 429775147 /nfs/dbraw/zinc/77/51/47/429775147.db2.gz UVKRTHLKAMJHNP-INIZCTEOSA-N 2 0 313.445 2.758 20 0 DFADRP COc1cccc2c(C[NH2+]CCOCC[NH+](C)C)cccc12 ZINC000451158550 429778368 /nfs/dbraw/zinc/77/83/68/429778368.db2.gz ZTPDYFSVCWYELW-UHFFFAOYSA-N 2 0 302.418 2.516 20 0 DFADRP C[C@@H]([NH2+]Cc1ccnc(OCC[NH+](C)C)c1)[C@@H]1C[C@H]1C1CC1 ZINC000527687892 429780282 /nfs/dbraw/zinc/78/02/82/429780282.db2.gz NVVDHWKHKMFUAO-COXVUDFISA-N 2 0 303.450 2.546 20 0 DFADRP C[C@H]1CCC[N@H+](CCNC(=O)[C@@H]2CCCC[NH+]2C2CCCC2)C1 ZINC000431749390 429781492 /nfs/dbraw/zinc/78/14/92/429781492.db2.gz KVAHYJPDPSOMTO-WMZOPIPTSA-N 2 0 321.509 2.632 20 0 DFADRP C[C@@H]([NH2+]Cc1ccncc1OCCC[NH+](C)C)[C@@H]1C[C@H]1C1CC1 ZINC000527710155 429783484 /nfs/dbraw/zinc/78/34/84/429783484.db2.gz OKXRDCMBNAZIMF-JLSDUUJJSA-N 2 0 317.477 2.936 20 0 DFADRP CCCC[NH+]1CCC(NC(=O)CC[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000431795845 429784514 /nfs/dbraw/zinc/78/45/14/429784514.db2.gz QXRVDBKTZHRSBE-KRWDZBQOSA-N 2 0 309.498 2.632 20 0 DFADRP c1cn(CCC[N@@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@@H]3C2)cn1 ZINC000368130989 429793171 /nfs/dbraw/zinc/79/31/71/429793171.db2.gz IEXDMDBXHOALSG-PMACEKPBSA-N 3 0 324.472 2.727 20 0 DFADRP Cc1cn[nH]c1C[NH2+]CC1CC[NH+](Cc2ccccc2F)CC1 ZINC000368259147 429818456 /nfs/dbraw/zinc/81/84/56/429818456.db2.gz ORIVZRAYCYAYDI-UHFFFAOYSA-N 2 0 316.424 2.859 20 0 DFADRP COc1cccc([C@H](C[NH2+][C@@H]2C[C@H](C)[N@H+](C)C[C@H]2C)OC)c1 ZINC000527919719 429819821 /nfs/dbraw/zinc/81/98/21/429819821.db2.gz JQVYFAOVYUTYKV-NONVJHHQSA-N 2 0 306.450 2.701 20 0 DFADRP CC[C@]1(C(=O)Nc2ccc(CC[NH+]3CCCC3)cc2)CC[NH2+]C1 ZINC000368566479 429868538 /nfs/dbraw/zinc/86/85/38/429868538.db2.gz KYFRUZWRIRBVTR-IBGZPJMESA-N 2 0 315.461 2.653 20 0 DFADRP C[C@H]([NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1)c1ccccc1N(C)C ZINC000432410525 429822682 /nfs/dbraw/zinc/82/26/82/429822682.db2.gz PRFFSKBXGLUMPJ-IRXDYDNUSA-N 2 0 319.493 2.904 20 0 DFADRP CCC[NH+]1CCC([NH2+]C[C@]2(C)COc3ccccc3O2)CC1 ZINC000527937114 429822725 /nfs/dbraw/zinc/82/27/25/429822725.db2.gz UGODBODFPZGXLX-GOSISDBHSA-N 2 0 304.434 2.681 20 0 DFADRP Cc1c([C@@H](C)NCCC[N@@H+]2CCCO[C@@H](C)C2)cnn1C(C)C ZINC000432431239 429823155 /nfs/dbraw/zinc/82/31/55/429823155.db2.gz VTMXWFWEQAKQMR-JKSUJKDBSA-N 2 0 322.497 2.924 20 0 DFADRP C[C@@H](C[NH2+][C@H]1CCN(C2CC[NH+](C)CC2)C1)Cc1ccccc1 ZINC000368375100 429839432 /nfs/dbraw/zinc/83/94/32/429839432.db2.gz RMAIKEZGNLYQHB-MJGOQNOKSA-N 2 0 315.505 2.623 20 0 DFADRP Cc1ncc(C[N@@H+]2CC[C@H](Nc3cc[nH+]c(C)c3)[C@@H](C)C2)s1 ZINC000368410506 429845096 /nfs/dbraw/zinc/84/50/96/429845096.db2.gz LLRZNCGUDBKVKF-SJCJKPOMSA-N 2 0 316.474 2.899 20 0 DFADRP Cc1nc(CNc2ccncc2Br)c2n1CCCC2 ZINC000368422745 429845818 /nfs/dbraw/zinc/84/58/18/429845818.db2.gz RUNVVUFONFHVOC-UHFFFAOYSA-N 2 0 321.222 2.719 20 0 DFADRP Cc1ccc2[nH+]ccc(NCCC[N@@H+]3CCCO[C@H](C)C3)c2c1 ZINC000432877928 429847923 /nfs/dbraw/zinc/84/79/23/429847923.db2.gz OKTXDBVBPRUIJW-MRXNPFEDSA-N 2 0 313.445 2.878 20 0 DFADRP CC[NH+](CC)Cc1cccc(NC(=O)[C@]2(CC)CC[NH2+]C2)c1 ZINC000368510287 429859024 /nfs/dbraw/zinc/85/90/24/429859024.db2.gz NNISZDDWJQYCPZ-GOSISDBHSA-N 2 0 303.450 2.857 20 0 DFADRP FC(F)(F)[C@H]1C[C@@H]([NH2+]C2CC([NH+]3CCCCC3)C2)CCO1 ZINC000368574132 429869741 /nfs/dbraw/zinc/86/97/41/429869741.db2.gz JJDVGGNKVKELHP-GFJIZPEISA-N 2 0 306.372 2.703 20 0 DFADRP C[C@H]([NH2+]CCN1CC[NH+](Cc2ccccc2)CC1)[C@@H]1CC12CC2 ZINC000527849418 429809544 /nfs/dbraw/zinc/80/95/44/429809544.db2.gz SZZJCIAAZMNSCI-HKUYNNGSSA-N 2 0 313.489 2.582 20 0 DFADRP C[C@@H]([NH2+]CCN1CC[NH+](Cc2ccccc2)CC1)[C@@H]1CC12CC2 ZINC000527849426 429809612 /nfs/dbraw/zinc/80/96/12/429809612.db2.gz SZZJCIAAZMNSCI-MJGOQNOKSA-N 2 0 313.489 2.582 20 0 DFADRP C[C@@H]([NH2+]CCN1CC[NH+](Cc2ccccc2)CC1)[C@H]1CC12CC2 ZINC000527849421 429810741 /nfs/dbraw/zinc/81/07/41/429810741.db2.gz SZZJCIAAZMNSCI-IEBWSBKVSA-N 2 0 313.489 2.582 20 0 DFADRP C[C@H]([NH2+][C@H](CN1CC[NH+](C)CC1)c1ccccc1)[C@@H]1CC12CC2 ZINC000527860398 429812122 /nfs/dbraw/zinc/81/21/22/429812122.db2.gz VIUAHTKRURAWCL-YTQUADARSA-N 2 0 313.489 2.753 20 0 DFADRP CC[C@H](C(=O)N(C)C1CC[NH+](C2CCC(C)CC2)CC1)[NH+](C)C ZINC000368564936 429868273 /nfs/dbraw/zinc/86/82/73/429868273.db2.gz XYEYQQUHGQLWEV-VMWRSERWSA-N 2 0 323.525 2.828 20 0 DFADRP C[NH+](C)CCOc1ccccc1C[NH2+][C@@H]1CCCc2n[nH]cc21 ZINC000368608548 429878234 /nfs/dbraw/zinc/87/82/34/429878234.db2.gz PSNNXUHSSSOVDO-MRXNPFEDSA-N 2 0 314.433 2.517 20 0 DFADRP C[C@@H](c1ccncc1)N1CCC([NH2+]Cc2cncc(F)c2)CC1 ZINC000494580482 429881851 /nfs/dbraw/zinc/88/18/51/429881851.db2.gz TXAPLNAZHYNAOB-AWEZNQCLSA-N 2 0 314.408 2.931 20 0 DFADRP Cn1ccnc1[C@@H]1CC[N@H+](Cc2cccnc2C(F)(F)F)C1 ZINC000528430900 429888022 /nfs/dbraw/zinc/88/80/22/429888022.db2.gz YBIHLLLIAVYZDG-GFCCVEGCSA-N 2 0 310.323 2.823 20 0 DFADRP CC(C)[C@@H]1CN(Cc2cn(C)cn2)CC[N@@H+]1Cc1ccccc1 ZINC000528642641 429904296 /nfs/dbraw/zinc/90/42/96/429904296.db2.gz XIJSLLHRSOFGKN-IBGZPJMESA-N 2 0 312.461 2.763 20 0 DFADRP C[C@@H]([NH2+]C[C@H]1CC[N@H+](Cc2ccccc2)C1)C1CCOCC1 ZINC000369140650 429915363 /nfs/dbraw/zinc/91/53/63/429915363.db2.gz UNTRUKVRQDGYGJ-SJLPKXTDSA-N 2 0 302.462 2.913 20 0 DFADRP C[N@@H+]1CCC[C@H](N2CC[NH+]([C@@H]3CCCc4ccccc43)CC2)C1 ZINC000369353290 429927208 /nfs/dbraw/zinc/92/72/08/429927208.db2.gz BXGYTPRHJFDRHS-AZUAARDMSA-N 2 0 313.489 2.776 20 0 DFADRP CCOCC(C)(C)C[NH2+][C@@H]1CC[N@H+](C[C@@H]2CCCO2)C[C@H]1C ZINC000368578435 429871812 /nfs/dbraw/zinc/87/18/12/429871812.db2.gz NAKJDTGBMUCHLP-IXDOHACOSA-N 2 0 312.498 2.528 20 0 DFADRP CN(c1nc(C[N@@H+]2CCC3(C2)CC[NH+](C)CC3)cs1)C1CC1 ZINC000639759001 429971927 /nfs/dbraw/zinc/97/19/27/429971927.db2.gz ZMDVHMUZKSCYCO-UHFFFAOYSA-N 2 0 320.506 2.659 20 0 DFADRP C[NH+]1CCC2(CCN(Cc3noc(-c4ccccc4)n3)C2)CC1 ZINC000639760069 429972034 /nfs/dbraw/zinc/97/20/34/429972034.db2.gz QPBHXCSIRXUSDY-UHFFFAOYSA-N 2 0 312.417 2.654 20 0 DFADRP C[NH+]1CCC2(CC[N@H+](Cc3cccc(-n4cccn4)c3)C2)CC1 ZINC000639758813 429972957 /nfs/dbraw/zinc/97/29/57/429972957.db2.gz WTODNIDQBKWQPD-UHFFFAOYSA-N 2 0 310.445 2.790 20 0 DFADRP CC[C@]1(C[NH2+][C@@H]2CC[N@H+](C)C[C@@H]2C)OCCc2ccccc21 ZINC000558500703 429975531 /nfs/dbraw/zinc/97/55/31/429975531.db2.gz JTUSYJUWPVWSFE-KFKAGJAMSA-N 2 0 302.462 2.794 20 0 DFADRP C[C@H](c1ccc(F)cc1)N1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000369360927 429930957 /nfs/dbraw/zinc/93/09/57/429930957.db2.gz ZGZLOPWXXXWZGO-QAPCUYQASA-N 2 0 305.441 2.599 20 0 DFADRP C[N@@H+]1CC[C@]2(C1)CCC[NH+](Cc1cccc3c1CCOC3)C2 ZINC000639659837 429937722 /nfs/dbraw/zinc/93/77/22/429937722.db2.gz PRYSUUDHCAJSGC-IBGZPJMESA-N 2 0 300.446 2.677 20 0 DFADRP [NH3+]C[C@H]1CC[C@H](C[NH2+][C@@H]2CCN[C@H](c3ccccc3)C2)CC1 ZINC000573305630 429943747 /nfs/dbraw/zinc/94/37/47/429943747.db2.gz FGEHQTRSAWNHHF-RWQQGDIJSA-N 3 0 301.478 2.834 20 0 DFADRP O[C@@H](CC1CCCC1)C[N@@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC000639684188 429946911 /nfs/dbraw/zinc/94/69/11/429946911.db2.gz SWAKTKJQVGJLOS-SFHVURJKSA-N 2 0 303.450 2.535 20 0 DFADRP COc1ccc(OC(F)F)c(C[NH+]2CCC(CC[NH3+])CC2)c1 ZINC000573377891 429948409 /nfs/dbraw/zinc/94/84/09/429948409.db2.gz YEKRPGFVAXBOGS-UHFFFAOYSA-N 2 0 314.376 2.857 20 0 DFADRP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCCN(c3ccccc3)C2)CC[N@@H+]1C ZINC000369461951 429949433 /nfs/dbraw/zinc/94/94/33/429949433.db2.gz GZGDUMKWJOVZGD-SQNIBIBYSA-N 2 0 301.478 2.975 20 0 DFADRP C[C@H]([NH2+]C[C@@H]1CCN(c2ccccc2F)C1)[C@H]1CCC[NH2+]C1 ZINC000574307561 430030749 /nfs/dbraw/zinc/03/07/49/430030749.db2.gz ISQNBPNVJHMJMG-JYJNAYRXSA-N 2 0 305.441 2.630 20 0 DFADRP Cc1ccc(CN2CC[C@@H]([NH2+][C@H](C)C3CC[NH+](C)CC3)C2)cc1 ZINC000631748718 429989509 /nfs/dbraw/zinc/98/95/09/429989509.db2.gz JSWZNVAJFMOOEC-YLJYHZDGSA-N 2 0 315.505 2.889 20 0 DFADRP CC[C@@H](C)C[C@@H](CC)[NH2+]CC(=O)NCC[NH+]1CCCCCC1 ZINC000574215041 430022623 /nfs/dbraw/zinc/02/26/23/430022623.db2.gz VTUYJSWKSCABDL-IAGOWNOFSA-N 2 0 311.514 2.783 20 0 DFADRP COCCOc1cccc(C[NH2+][C@@H]2CC[NH2+]CC(C)(C)C2)c1 ZINC000634732938 430092665 /nfs/dbraw/zinc/09/26/65/430092665.db2.gz SBEQEQRSOBPLMT-MRXNPFEDSA-N 2 0 306.450 2.580 20 0 DFADRP CC(C)n1ncc2cc(C[NH2+][C@@H]3CC[NH2+]CC(C)(C)C3)cnc21 ZINC000634732822 430092816 /nfs/dbraw/zinc/09/28/16/430092816.db2.gz PRVWIDIHPRFFEX-MRXNPFEDSA-N 2 0 315.465 2.880 20 0 DFADRP CO[C@H](Cc1ccc(F)cc1)C[N@@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000530220932 430105898 /nfs/dbraw/zinc/10/58/98/430105898.db2.gz KQQYHZKVSOUBDV-QXAKKESOSA-N 2 0 320.452 2.847 20 0 DFADRP FC(F)(F)c1ncccc1C[NH+]1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000530222504 430105922 /nfs/dbraw/zinc/10/59/22/430105922.db2.gz QYWMPWQFTNCPPD-ZDUSSCGKSA-N 2 0 313.367 2.922 20 0 DFADRP Cc1cccc(C)c1C[NH+]1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000530239601 430107545 /nfs/dbraw/zinc/10/75/45/430107545.db2.gz GTZURJOIEKQLJT-SFHVURJKSA-N 2 0 302.462 2.894 20 0 DFADRP Cc1ccc(C[NH+]2CCC(CO[C@@H]3CC[NH2+]C3)CC2)cc1F ZINC000530241144 430108175 /nfs/dbraw/zinc/10/81/75/430108175.db2.gz IINYCJFOFNQKSG-QGZVFWFLSA-N 2 0 306.425 2.725 20 0 DFADRP CO[C@H]1C[C@@H]([NH2+]Cc2cn(-c3cc[nH+]cc3)nc2C)C12CCC2 ZINC000560596947 430056800 /nfs/dbraw/zinc/05/68/00/430056800.db2.gz BEOVEKVSXNMXAT-SJORKVTESA-N 2 0 312.417 2.623 20 0 DFADRP C[NH+](C)CCCCC(=O)NC[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000560608569 430059290 /nfs/dbraw/zinc/05/92/90/430059290.db2.gz SAOSCFONJFIVKX-GOSISDBHSA-N 2 0 317.477 2.672 20 0 DFADRP C[NH+](C)CCCCC(=O)NC[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000560608570 430059452 /nfs/dbraw/zinc/05/94/52/430059452.db2.gz SAOSCFONJFIVKX-SFHVURJKSA-N 2 0 317.477 2.672 20 0 DFADRP C[NH+](C)CCOc1cccc(C[NH2+][C@@H]2CCOC(C)(C)C2)c1 ZINC000634679386 430073621 /nfs/dbraw/zinc/07/36/21/430073621.db2.gz STMDGPQKPIXRSE-MRXNPFEDSA-N 2 0 306.450 2.674 20 0 DFADRP CC(C)[N@@H+]1CC[C@H](CNC(=O)C[C@H](c2ccccc2)[NH+](C)C)C1 ZINC000561074578 430074272 /nfs/dbraw/zinc/07/42/72/430074272.db2.gz UVEATJRAGJRSNM-SJLPKXTDSA-N 2 0 317.477 2.526 20 0 DFADRP CCOc1c(C[NH+]2CCC(CC[NH3+])CC2)c(C)nn1CC(C)C ZINC000580896005 430161500 /nfs/dbraw/zinc/16/15/00/430161500.db2.gz GSLDAORKDVRATB-UHFFFAOYSA-N 2 0 322.497 2.807 20 0 DFADRP COCCc1ncc(C[NH+]2CCC(C[NH+]3CCCC3)CC2)s1 ZINC000637905188 430168005 /nfs/dbraw/zinc/16/80/05/430168005.db2.gz IWHWSZNHNSPBIH-UHFFFAOYSA-N 2 0 323.506 2.640 20 0 DFADRP c1ccc([C@H]2OCC[C@@H]2[NH2+]Cc2ccc3c(c2)C[NH2+]CC3)cc1 ZINC000581078207 430176252 /nfs/dbraw/zinc/17/62/52/430176252.db2.gz ZFWRAYNOUQVYBW-VQTJNVASSA-N 2 0 308.425 2.952 20 0 DFADRP CC[C@@H](CC(=O)N(CC[NH+](C)C)CC[NH+](C)C)c1ccccc1 ZINC000530641361 430120722 /nfs/dbraw/zinc/12/07/22/430120722.db2.gz LZWWLELJVIVFDV-KRWDZBQOSA-N 2 0 319.493 2.522 20 0 DFADRP C[NH+]1CCC(N2CC[C@H]([NH2+][C@H]3CCc4cc(F)ccc43)C2)CC1 ZINC000370625182 277028979 /nfs/dbraw/zinc/02/89/79/277028979.db2.gz VYWRFVYTIRCLFI-LPHOPBHVSA-N 2 0 317.452 2.571 20 0 DFADRP C[NH+]1CCC(O)(C[NH2+][C@@H]2C[C@H](c3ccccc3)C2(C)C)CC1 ZINC000274256838 277032103 /nfs/dbraw/zinc/03/21/03/277032103.db2.gz JGFHFELEDRWTMB-IAGOWNOFSA-N 2 0 302.462 2.615 20 0 DFADRP C[NH+]1CCC([C@H]2CC[N@H+](Cc3c[nH]nc3C(C)(C)C)C2)CC1 ZINC000377883568 277034692 /nfs/dbraw/zinc/03/46/92/277034692.db2.gz KHXFDWDDQVBABE-HNNXBMFYSA-N 2 0 304.482 2.871 20 0 DFADRP C[NH+]1CCC2(CCC[N@@H+]2Cc2cnn(-c3ccccc3)c2)CC1 ZINC000375474689 277038376 /nfs/dbraw/zinc/03/83/76/277038376.db2.gz RRJHXTAZYYSBIJ-UHFFFAOYSA-N 2 0 310.445 2.933 20 0 DFADRP Nc1ccc(-c2cccc(C[N@@H+]3C[C@@H]4CCC[C@]4(C[NH3+])C3)n2)cc1 ZINC000634996706 430186708 /nfs/dbraw/zinc/18/67/08/430186708.db2.gz RFZMLABHMVWUBH-JXFKEZNVSA-N 2 0 322.456 2.892 20 0 DFADRP CC[N@H+](C)C[C@H](O)C[NH+]1CCC[C@@]1(C)Cc1ccc(F)cc1 ZINC000581200394 430188509 /nfs/dbraw/zinc/18/85/09/430188509.db2.gz GNOZKCFEXFEFPG-ROUUACIJSA-N 2 0 308.441 2.535 20 0 DFADRP [NH3+][C@@H]1CCC[C@@H]([NH2+][C@@H](CO)c2cccc(C(F)(F)F)c2)C1 ZINC000634997529 430188822 /nfs/dbraw/zinc/18/88/22/430188822.db2.gz NLJNFFXTUUJMCC-MCIONIFRSA-N 2 0 302.340 2.598 20 0 DFADRP C[C@H]1CCC[C@H](C)N1C(=O)C[N@H+](C)CCCC[NH+]1CCCCC1 ZINC000640532628 430191040 /nfs/dbraw/zinc/19/10/40/430191040.db2.gz UNXNFMGMLJTVAF-ROUUACIJSA-N 2 0 323.525 2.974 20 0 DFADRP C[N@H+](CCCC[NH+]1CCCCC1)CC(=O)NCc1cccs1 ZINC000640530617 430192217 /nfs/dbraw/zinc/19/22/17/430192217.db2.gz AAFZVHQNFXIEFC-UHFFFAOYSA-N 2 0 323.506 2.562 20 0 DFADRP C[C@@H](C(=O)NC1CCCC1)[N@H+](C)CCCC[NH+]1CCCCC1 ZINC000640531191 430192347 /nfs/dbraw/zinc/19/23/47/430192347.db2.gz LFFVCDSDBWBCHN-INIZCTEOSA-N 2 0 309.498 2.632 20 0 DFADRP C[C@H](C[C@H]1CCCCC[NH2+]1)NCC[C@@H]([NH3+])Cc1ccccc1 ZINC000635004501 430192940 /nfs/dbraw/zinc/19/29/40/430192940.db2.gz FFCVXDRXSFIGSB-BHIYHBOVSA-N 2 0 303.494 2.847 20 0 DFADRP C[C@@H]([NH2+][C@@H]1CCO[C@H]1c1ccc(Cl)c(F)c1)[C@@H]1CC[NH2+]C1 ZINC000635005615 430193094 /nfs/dbraw/zinc/19/30/94/430193094.db2.gz VRBLYJBDJOGLFZ-NODPJGRNSA-N 2 0 312.816 2.897 20 0 DFADRP CCC[C@@H](Nc1cc(N2CC[NH2+]CC2)cc[nH+]1)c1ccccn1 ZINC000635007898 430193120 /nfs/dbraw/zinc/19/31/20/430193120.db2.gz GZGDDRBPKBMVEP-QGZVFWFLSA-N 2 0 311.433 2.840 20 0 DFADRP C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1CNC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000635004994 430193345 /nfs/dbraw/zinc/19/33/45/430193345.db2.gz RTWMPFIFTCPDMP-KWVUDZMESA-N 2 0 313.489 2.627 20 0 DFADRP C[C@H](CC(=O)N(C)c1ccccc1)[NH2+][C@H]1CC[C@H](C[NH3+])CC1 ZINC000635004294 430193390 /nfs/dbraw/zinc/19/33/90/430193390.db2.gz CVYRPBXEQVUXEX-BZUAXINKSA-N 2 0 303.450 2.535 20 0 DFADRP CC(C)n1ccc(C[C@@H](C)[NH2+]CC[C@H]([NH3+])Cc2ccccc2)n1 ZINC000635008152 430193991 /nfs/dbraw/zinc/19/39/91/430193991.db2.gz QVRGJGXOIZCUAJ-AEFFLSMTSA-N 2 0 314.477 2.945 20 0 DFADRP C[C@H](CC(=O)Nc1cccc(F)c1)[NH2+][C@H]1CC[C@H](C[NH3+])CC1 ZINC000635004198 430194062 /nfs/dbraw/zinc/19/40/62/430194062.db2.gz CRMYSEWBVYQRBN-UMVBOHGHSA-N 2 0 307.413 2.650 20 0 DFADRP COc1ccc(C[C@H](C)[NH2+][C@H]2CC[C@H](C[NH3+])CC2)cc1OC ZINC000635007514 430194170 /nfs/dbraw/zinc/19/41/70/430194170.db2.gz QPZHAUHZJFKKOV-DZKIICNBSA-N 2 0 306.450 2.742 20 0 DFADRP C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C[NH2+]C1CCC([NH3+])CC1 ZINC000635005178 430194207 /nfs/dbraw/zinc/19/42/07/430194207.db2.gz SANNPNCOGWCJQY-FLODPWGTSA-N 3 0 301.478 2.614 20 0 DFADRP CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]1[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000300201768 277201877 /nfs/dbraw/zinc/20/18/77/277201877.db2.gz AMTPKTXKWARXFK-XUWVNRHRSA-N 2 0 323.481 2.649 20 0 DFADRP COc1ccccc1[C@H](C)Nc1cc(N2CC[NH2+]CC2)cc[nH+]1 ZINC000635010626 430195748 /nfs/dbraw/zinc/19/57/48/430195748.db2.gz UEEXTKFHRASAKZ-AWEZNQCLSA-N 2 0 312.417 2.673 20 0 DFADRP [NH3+][C@H](CCN[C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1)Cc1ccccc1 ZINC000635008161 430196308 /nfs/dbraw/zinc/19/63/08/430196308.db2.gz QWBZARKLTQDMCX-YSTOQKLRSA-N 2 0 315.505 2.847 20 0 DFADRP COc1cccc([C@@H](C)Nc2cc(N3CC[NH2+]CC3)cc[nH+]2)c1 ZINC000635009240 430196529 /nfs/dbraw/zinc/19/65/29/430196529.db2.gz MLSAWFUJJKQMRJ-CQSZACIVSA-N 2 0 312.417 2.673 20 0 DFADRP FC(F)(F)[C@@H]1C[C@H]1[NH2+][C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000635012031 430196779 /nfs/dbraw/zinc/19/67/79/430196779.db2.gz ISBYUPFMERFRCI-RGCMKSIDSA-N 2 0 312.335 2.783 20 0 DFADRP C[C@H]([NH2+][C@H]1CC[C@H](C[NH3+])CC1)c1cccc(N2CCOCC2)c1 ZINC000635009644 430196848 /nfs/dbraw/zinc/19/68/48/430196848.db2.gz YQZYUBDSOWIBPU-BQFCYCMXSA-N 2 0 317.477 2.691 20 0 DFADRP Cc1cc(N2CCC([NH2+][C@@H](C)C[C@@H]3CCCCC[NH2+]3)CC2)n[nH]1 ZINC000581304622 430198191 /nfs/dbraw/zinc/19/81/91/430198191.db2.gz RYSCIZXVMVPJKH-YOEHRIQHSA-N 2 0 319.497 2.587 20 0 DFADRP Cc1ccc(CN2CC[C@H]([NH2+][C@@H]3CC[C@H]4C[NH2+]C[C@H]4C3)C2)cc1 ZINC000635014166 430198537 /nfs/dbraw/zinc/19/85/37/430198537.db2.gz YOBSOUJBVWYDBU-NMLBUPMWSA-N 2 0 313.489 2.547 20 0 DFADRP COC(=O)C[C@@H]1CC[C@H]([NH2+]C2CC[NH+](C(C)(C)C)CC2)[C@H]1C ZINC000354124448 277326188 /nfs/dbraw/zinc/32/61/88/277326188.db2.gz KSUQYGLBRNQZPO-DZKIICNBSA-N 2 0 310.482 2.817 20 0 DFADRP Cc1scc(C[N@@H+](C)CC2CC[NH+](C[C@@H](C)O)CC2)c1C ZINC000638047164 430218551 /nfs/dbraw/zinc/21/85/51/430218551.db2.gz ZAKPNOAUQVLOMJ-CYBMUJFWSA-N 2 0 310.507 2.890 20 0 DFADRP CC(C)CCNC(=[NH2+])NC[C@H]1CC[N@H+](C)[C@@H]1c1cccs1 ZINC000370160093 277354953 /nfs/dbraw/zinc/35/49/53/277354953.db2.gz FODIYWQVMLDTER-HIFRSBDPSA-N 2 0 308.495 2.901 20 0 DFADRP CC[NH2+][C@@H](C)C(=O)NCc1ccccc1C[N@@H+]1CCCC[C@H]1C ZINC000638062981 430222783 /nfs/dbraw/zinc/22/27/83/430222783.db2.gz KVRVPGQFEFBJCZ-CVEARBPZSA-N 2 0 317.477 2.675 20 0 DFADRP CC[NH+](CC)[C@@H](CNC(=O)c1oc(C[NH3+])cc1C)CC(C)C ZINC000638060578 430223425 /nfs/dbraw/zinc/22/34/25/430223425.db2.gz XTUQUNKDYPJVIC-CQSZACIVSA-N 2 0 309.454 2.533 20 0 DFADRP CC(C)CN(CC(C)C)C(=O)C[NH+]1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000261818115 277376658 /nfs/dbraw/zinc/37/66/58/277376658.db2.gz WLOYPIYDDSSJON-GOSISDBHSA-N 2 0 323.525 2.591 20 0 DFADRP CC[NH2+][C@@H](C)C(=O)NCc1ccccc1C[N@@H+]1CCCC[C@@H]1C ZINC000638062984 430224376 /nfs/dbraw/zinc/22/43/76/430224376.db2.gz KVRVPGQFEFBJCZ-HOTGVXAUSA-N 2 0 317.477 2.675 20 0 DFADRP Cc1cc2ncc([C@@H](C)[NH2+]Cc3ccc4c[nH+]cn4c3)c(C)n2n1 ZINC000581535894 430217980 /nfs/dbraw/zinc/21/79/80/430217980.db2.gz PSMUUSHNOMPZIA-CYBMUJFWSA-N 2 0 320.400 2.845 20 0 DFADRP Cc1ccccc1NC(=O)C[C@@H](C)[NH2+]Cc1ccc(C[NH3+])cc1 ZINC000566230054 430249645 /nfs/dbraw/zinc/24/96/45/430249645.db2.gz CBLQQKLRPKKDFP-OAHLLOKOSA-N 2 0 311.429 2.961 20 0 DFADRP C[C@H](C(=O)NCc1ccccc1C[N@@H+]1CCCC[C@@H]1C)[NH+](C)C ZINC000635324767 430254546 /nfs/dbraw/zinc/25/45/46/430254546.db2.gz JQAMLDNEZBQDHF-JKSUJKDBSA-N 2 0 317.477 2.627 20 0 DFADRP C[C@H](C(=O)Nc1ccc(C[N@@H+]2CCCC[C@H]2C)cc1)[NH+](C)C ZINC000635345034 430256627 /nfs/dbraw/zinc/25/66/27/430256627.db2.gz JXIYHXJQAOHZIX-HUUCEWRRSA-N 2 0 303.450 2.950 20 0 DFADRP Cn1cncc1CCC[N@@H+]1CC[C@H](n2ncc3ccccc32)C1 ZINC000566417732 430257243 /nfs/dbraw/zinc/25/72/43/430257243.db2.gz XOYDGNNFWIWVQC-KRWDZBQOSA-N 2 0 309.417 2.649 20 0 DFADRP CCCOc1ccc(C[N@@H+]2C[C@@H](C[NH3+])C3(C2)CCOCC3)cc1 ZINC000582002696 430258003 /nfs/dbraw/zinc/25/80/03/430258003.db2.gz ASBNBONCOCTBRN-QGZVFWFLSA-N 2 0 318.461 2.663 20 0 DFADRP COc1cncc(C[N@@H+]2CC[C@H](C)[C@@H](n3ccnc3)C2)c1C ZINC000638173280 430260212 /nfs/dbraw/zinc/26/02/12/430260212.db2.gz VFJPKOAUELXITG-BBRMVZONSA-N 2 0 300.406 2.678 20 0 DFADRP [NH3+][C@H]1CCC[C@@H]([NH2+]CCOc2ccc(C(F)(F)F)cc2)C1 ZINC000566483875 430265445 /nfs/dbraw/zinc/26/54/45/430265445.db2.gz XNZWPWXBKUJKAA-QWHCGFSZSA-N 2 0 302.340 2.944 20 0 DFADRP c1ccc2c(c1)[nH+]ccc2N1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000567179512 430279066 /nfs/dbraw/zinc/27/90/66/430279066.db2.gz ILFHPHNPHYFQPW-MRXNPFEDSA-N 2 0 311.429 2.926 20 0 DFADRP C[N@H+](CC(=O)NC1CC[NH+](CC2CCCC2)CC1)CC(C)(C)C ZINC000635447662 430282077 /nfs/dbraw/zinc/28/20/77/430282077.db2.gz SDOCBQGKRYTYAQ-UHFFFAOYSA-N 2 0 323.525 2.735 20 0 DFADRP CC(C)CC[C@@H]([NH3+])C(=O)NCCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000638068311 430227142 /nfs/dbraw/zinc/22/71/42/430227142.db2.gz WTXDLLKQQVDAHA-IXDOHACOSA-N 2 0 311.514 2.624 20 0 DFADRP CC[NH2+][C@H](C)C(=O)N(CC)[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000638079626 430227901 /nfs/dbraw/zinc/22/79/01/430227901.db2.gz PASJAOLPKUOSCI-SOLBZPMBSA-N 2 0 317.477 2.668 20 0 DFADRP CC(C)CC[C@H]([NH3+])C(=O)NC1CC[NH+](CC2CCCC2)CC1 ZINC000638086868 430229703 /nfs/dbraw/zinc/22/97/03/430229703.db2.gz KXDKBOBYSLBZFS-KRWDZBQOSA-N 2 0 309.498 2.521 20 0 DFADRP C[C@H]1C[C@H]([NH3+])CC[N@@H+]1CCOc1ccc(OC(F)(F)F)cc1 ZINC000567748553 430288406 /nfs/dbraw/zinc/28/84/06/430288406.db2.gz XZMONDAWIPCEQF-NWDGAFQWSA-N 2 0 318.339 2.776 20 0 DFADRP C[C@@H]1C[C@H]([NH3+])CCN1Cc1cnn(-c2ccc(Cl)cc2)c1 ZINC000582308868 430288867 /nfs/dbraw/zinc/28/88/67/430288867.db2.gz AQCXHUUDBPZQPO-IUODEOHRSA-N 2 0 304.825 2.837 20 0 DFADRP CC(C)CC[C@H]([NH3+])C(=O)N1CCC[C@H]([NH+]2[C@H](C)CC[C@H]2C)C1 ZINC000638273031 430289920 /nfs/dbraw/zinc/28/99/20/430289920.db2.gz GOZLBLUCXQBECY-NCOADZHNSA-N 2 0 309.498 2.614 20 0 DFADRP C[NH+]1CCN(C[C@H]([NH2+]C[C@@H]2C[C@H]3C[C@H]3C2)c2ccccc2)CC1 ZINC000638273860 430292710 /nfs/dbraw/zinc/29/27/10/430292710.db2.gz LLMLPBUDZMSVBW-RNQOJCNYSA-N 2 0 313.489 2.611 20 0 DFADRP C[C@@H]([NH2+]C(C)(C)CNC(=O)C1(C[NH+](C)C)CC1)c1ccccc1 ZINC000635494346 430293303 /nfs/dbraw/zinc/29/33/03/430293303.db2.gz HXPVOOZUYSOLLQ-OAHLLOKOSA-N 2 0 317.477 2.574 20 0 DFADRP CC(C)CC[C@H]([NH3+])C(=O)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000638289703 430296022 /nfs/dbraw/zinc/29/60/22/430296022.db2.gz APFOTRFKMJEVER-SFHVURJKSA-N 2 0 323.525 2.865 20 0 DFADRP CCO[C@@H]1C[C@@H]([NH2+]CCC[N@@H+]2CCCC[C@@H]2C)[C@]12CCCO2 ZINC000638302679 430298770 /nfs/dbraw/zinc/29/87/70/430298770.db2.gz KWOYSOWWCRLULH-BSDSXHPESA-N 2 0 310.482 2.567 20 0 DFADRP C[C@H](C[C@@H]1CCCC(=O)N1)[NH2+]CCC[N@H+](C)Cc1ccccc1 ZINC000638308540 430300317 /nfs/dbraw/zinc/30/03/17/430300317.db2.gz KBSHUOJMLZVAAS-AEFFLSMTSA-N 2 0 317.477 2.545 20 0 DFADRP C[C@H](C[C@H]1CCCC(=O)N1)[NH2+]CCC[N@H+](C)Cc1ccccc1 ZINC000638308542 430301012 /nfs/dbraw/zinc/30/10/12/430301012.db2.gz KBSHUOJMLZVAAS-SJLPKXTDSA-N 2 0 317.477 2.545 20 0 DFADRP CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)[C@H]2CCCCC[NH2+]2)C1 ZINC000567985720 430302003 /nfs/dbraw/zinc/30/20/03/430302003.db2.gz NZAGQLHWUKOTGC-HZPDHXFCSA-N 2 0 309.498 2.535 20 0 DFADRP CC[NH+](CC)Cc1ccccc1C[NH2+]C[C@H](OC)[C@@H]1CCOC1 ZINC000638313365 430302313 /nfs/dbraw/zinc/30/23/13/430302313.db2.gz UUEPYIIFTBHKHK-MOPGFXCFSA-N 2 0 320.477 2.670 20 0 DFADRP CC(C)(O)C[NH+]1CCC([NH2+]CCCCc2ccccc2)CC1 ZINC000638315015 430302656 /nfs/dbraw/zinc/30/26/56/430302656.db2.gz ASKVOGIYOLABLW-UHFFFAOYSA-N 2 0 304.478 2.834 20 0 DFADRP C[N@@H+]1CC[C@](O)(CNCc2ccc(-c3ccc(Cl)cc3)o2)C1 ZINC000545150103 430302938 /nfs/dbraw/zinc/30/29/38/430302938.db2.gz HQOAKIMJTQMCKT-KRWDZBQOSA-N 2 0 320.820 2.756 20 0 DFADRP Cc1ccc(C[NH+]2CC[C@@H](C[N@@H+](C)C[C@H]3CCCO3)C2)s1 ZINC000567994178 430304441 /nfs/dbraw/zinc/30/44/41/430304441.db2.gz FKNMJVLBEJQBTA-JKSUJKDBSA-N 2 0 308.491 2.989 20 0 DFADRP COCC[N@H+](C)CCCNCc1[nH+]c(C(C)C)n2ccccc12 ZINC000568030000 430306670 /nfs/dbraw/zinc/30/66/70/430306670.db2.gz DYIZHRYWGGDKGQ-UHFFFAOYSA-N 2 0 318.465 2.516 20 0 DFADRP CC(C)[N@@H+]1CCCC[C@@H]1Cn1cc([C@@H]([NH3+])c2ccccc2)nn1 ZINC000641169109 430350680 /nfs/dbraw/zinc/35/06/80/430350680.db2.gz KCGORHLDXLUZJG-AEFFLSMTSA-N 2 0 313.449 2.589 20 0 DFADRP CCC(CC)[C@H](C[NH2+][C@@H](C)C[C@H]1CCCC(=O)N1)[NH+]1CCCC1 ZINC000638349965 430312216 /nfs/dbraw/zinc/31/22/16/430312216.db2.gz XPERVCOPUGEIBC-JQHSSLGASA-N 2 0 323.525 2.924 20 0 DFADRP CC[NH+]1CCN([C@@H](C)C[NH2+]C[C@@]2(C)C[C@@H]2c2ccccc2)CC1 ZINC000638363310 430317731 /nfs/dbraw/zinc/31/77/31/430317731.db2.gz LMLCYQGUSFGASK-DFQSSKMNSA-N 2 0 315.505 2.796 20 0 DFADRP Cn1cncc1CCC[N@@H+]1CCC[C@H]1Cn1cnc2ccccc21 ZINC000568166755 430321981 /nfs/dbraw/zinc/32/19/81/430321981.db2.gz RYVVAURDWQHDKY-KRWDZBQOSA-N 2 0 323.444 2.867 20 0 DFADRP COc1ccccc1C[C@H](C)[N@H+](C)CCCc1cncn1C ZINC000568165796 430322880 /nfs/dbraw/zinc/32/28/80/430322880.db2.gz XSUPAAHLAYCMDU-HNNXBMFYSA-N 2 0 301.434 2.924 20 0 DFADRP C[NH+](C)CCOc1cccc(C[NH2+]CCC2CCOCC2)c1 ZINC000638381779 430325223 /nfs/dbraw/zinc/32/52/23/430325223.db2.gz PINUTZDDMOLXPY-UHFFFAOYSA-N 2 0 306.450 2.533 20 0 DFADRP C[C@@]1(C[NH2+]CCC[NH+]2CCC(O)CC2)C[C@H]1c1ccccc1 ZINC000638411367 430334167 /nfs/dbraw/zinc/33/41/67/430334167.db2.gz HVSWRZIYQAYZMF-OALUTQOASA-N 2 0 302.462 2.617 20 0 DFADRP COc1cc(C)ccc1[C@H](C)[NH2+][C@H](C)CCN1CC[NH+](C)CC1 ZINC000546017031 430342447 /nfs/dbraw/zinc/34/24/47/430342447.db2.gz DGHPEHCYTXTBCM-SJORKVTESA-N 2 0 319.493 2.680 20 0 DFADRP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+]Cc1cccnc1-n1cccn1 ZINC000582898925 430344476 /nfs/dbraw/zinc/34/44/76/430344476.db2.gz CZECXVHMCNJTLZ-NVXWUHKLSA-N 2 0 313.449 2.668 20 0 DFADRP C[C@@H](O)C[N@@H+](Cc1ccccc1)C[C@H](C[NH3+])c1ccc(F)cc1 ZINC000582899479 430344653 /nfs/dbraw/zinc/34/46/53/430344653.db2.gz PHQXMHCGVAWRHN-QAPCUYQASA-N 2 0 316.420 2.751 20 0 DFADRP Cc1ccc(CC[C@@H](C)[NH2+]C2CC[NH+](CC(C)(C)O)CC2)o1 ZINC000638698644 430412928 /nfs/dbraw/zinc/41/29/28/430412928.db2.gz LRQYXPFFFWYILY-CQSZACIVSA-N 2 0 308.466 2.734 20 0 DFADRP COCCC[NH+]1CCC([NH2+]C[C@H](OC)C2CCCCC2)CC1 ZINC000638484304 430356075 /nfs/dbraw/zinc/35/60/75/430356075.db2.gz WPWNXNVHGZLHBB-SFHVURJKSA-N 2 0 312.498 2.672 20 0 DFADRP [NH3+]C1CCC([NH2+][C@@H](CO)c2ccc(C(F)(F)F)cc2)CC1 ZINC000583019008 430356722 /nfs/dbraw/zinc/35/67/22/430356722.db2.gz WFULWBQDMWQILQ-RUXDESIVSA-N 2 0 302.340 2.598 20 0 DFADRP C[N@H+](CCC(=O)N[C@@H]1CC[NH+](C2CCCC2)C1)C1CCCCC1 ZINC000547732942 430417218 /nfs/dbraw/zinc/41/72/18/430417218.db2.gz UMOMEEPMBSYTBI-MRXNPFEDSA-N 2 0 321.509 2.774 20 0 DFADRP CC[C@](C)(C[NH2+]C[C@@H]1CC[N@H+](CCc2ccccc2)C1)OC ZINC000638521995 430366276 /nfs/dbraw/zinc/36/62/76/430366276.db2.gz TXZRSUVRBHRUSQ-RBUKOAKNSA-N 2 0 304.478 2.956 20 0 DFADRP CC(C)(O)C[NH+]1CCC([NH2+]CCCc2cccc(F)c2)CC1 ZINC000638524316 430366528 /nfs/dbraw/zinc/36/65/28/430366528.db2.gz OGIMKFHTHCTPRT-UHFFFAOYSA-N 2 0 308.441 2.583 20 0 DFADRP CC(C)[C@@H]1C[C@@H]([NH2+]Cc2ccncc2OCC[NH+](C)C)CS1 ZINC000568566753 430371194 /nfs/dbraw/zinc/37/11/94/430371194.db2.gz XGWQSGPASNJBDE-WBVHZDCISA-N 2 0 323.506 2.642 20 0 DFADRP CC(C)[C@H]1C[C@H]([NH2+]Cc2ccncc2OCC[NH+](C)C)CS1 ZINC000568566737 430371391 /nfs/dbraw/zinc/37/13/91/430371391.db2.gz XGWQSGPASNJBDE-DOTOQJQBSA-N 2 0 323.506 2.642 20 0 DFADRP C[C@@H](C[C@@H]1CCCC(=O)N1)[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000638722470 430417406 /nfs/dbraw/zinc/41/74/06/430417406.db2.gz YEQRHYPKHWTCHS-RDJZCZTQSA-N 2 0 321.509 2.820 20 0 DFADRP CCC[N@H+](C)C[C@@H]1CCN(C(=O)CC[C@H]([NH3+])c2ccccc2)C1 ZINC000568625982 430375915 /nfs/dbraw/zinc/37/59/15/430375915.db2.gz KBRCNLNNMJXXKG-WMZOPIPTSA-N 2 0 317.477 2.657 20 0 DFADRP CO[C@@H](C[NH2+]C[C@@H]1CCC[N@@H+](C(C)C)C1)Cc1ccccc1 ZINC000638566786 430377838 /nfs/dbraw/zinc/37/78/38/430377838.db2.gz QNBPYVYDEKYWEH-RBUKOAKNSA-N 2 0 304.478 2.954 20 0 DFADRP CCN(C(=O)[C@@H](C)N1CC[C@]2(C1)CCC[NH2+]C2)c1ccccc1 ZINC000583263690 430378795 /nfs/dbraw/zinc/37/87/95/430378795.db2.gz NNKGLEKQWYGEEN-VQIMIIECSA-N 2 0 315.461 2.504 20 0 DFADRP C[C@@H]([NH2+]CC[C@H]1CCC[NH2+]C1)c1ccc2c(c1)CCC(=O)N2 ZINC000568748966 430388290 /nfs/dbraw/zinc/38/82/90/430388290.db2.gz PVHLGYVOWIAXQV-ZIAGYGMSSA-N 2 0 301.434 2.612 20 0 DFADRP C[C@@H](CNC(=O)CC[C@@H]([NH3+])c1ccccc1)[N@@H+]1CCC[C@@H](C)C1 ZINC000568756389 430389650 /nfs/dbraw/zinc/38/96/50/430389650.db2.gz GMLJFRIBGDRPLY-SOLBZPMBSA-N 2 0 317.477 2.703 20 0 DFADRP C[C@H](C[C@H]1CCCC(=O)N1)[NH2+]C[C@H](C)N(C)Cc1ccccc1 ZINC000638618030 430390331 /nfs/dbraw/zinc/39/03/31/430390331.db2.gz LCBYFEBJOGBBRN-SOLBZPMBSA-N 2 0 317.477 2.544 20 0 DFADRP CN(C)[C@H](CNC(=O)CC[N@H+](C)C1CCCCC1)c1ccco1 ZINC000547429961 430392639 /nfs/dbraw/zinc/39/26/39/430392639.db2.gz PPTDJPIGXOMPSO-MRXNPFEDSA-N 2 0 321.465 2.653 20 0 DFADRP CC[N@H+](Cc1ccc(C(=O)N[C@@H]2CC[C@@H](C)[NH2+]C2)cc1)C(C)C ZINC000638644961 430398751 /nfs/dbraw/zinc/39/87/51/430398751.db2.gz TXQYJSHABOIAJQ-CRAIPNDOSA-N 2 0 317.477 2.787 20 0 DFADRP CCSc1cccc(CN(CC[NH+](C)C)CC[NH+](C)C)c1 ZINC000583532786 430403567 /nfs/dbraw/zinc/40/35/67/430403567.db2.gz RUHHYFYZZPMDQK-UHFFFAOYSA-N 2 0 309.523 2.724 20 0 DFADRP CN(CCCC[NH+]1CCCCC1)C(=O)[C@@H](C1CC1)[NH+]1CCCC1 ZINC000641673484 430440575 /nfs/dbraw/zinc/44/05/75/430440575.db2.gz RBBCHQKDDSTWKJ-GOSISDBHSA-N 2 0 321.509 2.585 20 0 DFADRP [NH3+][C@H](CCC(=O)N1CCCCC[C@@H]([NH3+])C1)CC1CCCCC1 ZINC000638815445 430442255 /nfs/dbraw/zinc/44/22/55/430442255.db2.gz HDQUQOCXWNIQTJ-IAGOWNOFSA-N 2 0 309.498 2.794 20 0 DFADRP C[C@@H]1CCC[N@H+](CCCC[NH2+]Cc2ccc3[nH]c(=O)[nH]c3c2)C1 ZINC000641707678 430447623 /nfs/dbraw/zinc/44/76/23/430447623.db2.gz OWXVKAKOFGSENX-CQSZACIVSA-N 2 0 316.449 2.870 20 0 DFADRP Nc1c(F)cccc1C[NH2+]CC1CCN(c2cc[nH+]cc2)CC1 ZINC000638837067 430449696 /nfs/dbraw/zinc/44/96/96/430449696.db2.gz OCPXMPWZLBFDAD-UHFFFAOYSA-N 2 0 314.408 2.809 20 0 DFADRP CC1(C)CCC[C@@H](C[N@@H+]2CC3(CC[NH2+]CC3)[C@@H]3COC[C@@H]32)C1 ZINC000569437769 430454005 /nfs/dbraw/zinc/45/40/05/430454005.db2.gz SZRAWHZOTFCDPZ-ZACQAIPSSA-N 2 0 306.494 2.903 20 0 DFADRP C[NH+](C)CC[C@H]([NH2+]Cc1ccc2[nH]c(=O)[nH]c2c1)C(C)(C)C ZINC000641728400 430454200 /nfs/dbraw/zinc/45/42/00/430454200.db2.gz RTOBHZKECKSQOS-HNNXBMFYSA-N 2 0 304.438 2.725 20 0 DFADRP C[C@@H](C(=O)N[C@@H]1CCCCC[N@H+](Cc2ccccc2)C1)[C@H](C)[NH3+] ZINC000638850710 430455194 /nfs/dbraw/zinc/45/51/94/430455194.db2.gz GTEAKSLSFPBNSL-SOLBZPMBSA-N 2 0 317.477 2.531 20 0 DFADRP Cc1ccccc1C[NH+]1CCC(N[C@@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000584063986 430456811 /nfs/dbraw/zinc/45/68/11/430456811.db2.gz KKMHNGBKZGONMB-IEBWSBKVSA-N 2 0 301.478 2.819 20 0 DFADRP C[C@@H]1C[N@@H+](Cc2cccc(N[C@@H]3CCC[C@@H]([NH3+])C3)c2)C[C@H](C)O1 ZINC000569473331 430457601 /nfs/dbraw/zinc/45/76/01/430457601.db2.gz XEPWMIXWINWVNR-LORHWOILSA-N 2 0 317.477 2.978 20 0 DFADRP CC[NH+](CC)Cc1ccc(C(=O)N[C@H]2C[C@H]([NH+](C)C)C2(C)C)o1 ZINC000636086770 430458058 /nfs/dbraw/zinc/45/80/58/430458058.db2.gz AOEGIAZZAXVQGY-HOTGVXAUSA-N 2 0 321.465 2.580 20 0 DFADRP C[C@@H]([NH3+])c1ccc(C(=O)N2CCC(C)([NH+]3CCCC3)CC2)cc1 ZINC000638861019 430458521 /nfs/dbraw/zinc/45/85/21/430458521.db2.gz LJUQADSADYVMEW-OAHLLOKOSA-N 2 0 315.461 2.797 20 0 DFADRP CCC(CC)(C[NH3+])C(=O)N1CCC(CC)([NH+]2CCCC2)CC1 ZINC000638862007 430459888 /nfs/dbraw/zinc/45/98/88/430459888.db2.gz JLNLRIPHHKJYTL-UHFFFAOYSA-N 2 0 309.498 2.619 20 0 DFADRP C[C@H](CN[C@H]1CC[N@H+](C2CC2)[C@@H](c2ccccc2)C1)[NH+](C)C ZINC000638867172 430460995 /nfs/dbraw/zinc/46/09/95/430460995.db2.gz YZRAWBIDCTYJJM-HHXXYDBFSA-N 2 0 301.478 2.894 20 0 DFADRP CC[C@@H]([NH2+][C@@H](CN1CC[NH+](C)CC1)c1ccccc1)C(C)C ZINC000569541964 430463246 /nfs/dbraw/zinc/46/32/46/430463246.db2.gz SFOLTAMAMXKYKS-MOPGFXCFSA-N 2 0 303.494 2.999 20 0 DFADRP CN(Cc1ccccc1)CC(C)(C)C[NH2+][C@@H](CO)CC(F)F ZINC000641760537 430463731 /nfs/dbraw/zinc/46/37/31/430463731.db2.gz GBGXLDOOZGBPLY-OAHLLOKOSA-N 2 0 314.420 2.750 20 0 DFADRP CCO[C@H](CC[NH+](C)C)C[NH2+]Cc1cc2ccccc2n1C ZINC000638880625 430465158 /nfs/dbraw/zinc/46/51/58/430465158.db2.gz NXICJSWLMWFGTK-QGZVFWFLSA-N 2 0 303.450 2.625 20 0 DFADRP CC(C)[N@H+](C)Cc1ccccc1CNC(=O)[C@@H]1CCCCC[NH2+]1 ZINC000569579451 430467130 /nfs/dbraw/zinc/46/71/30/430467130.db2.gz MVPQKQXTIVYWCM-SFHVURJKSA-N 2 0 317.477 2.675 20 0 DFADRP C[N@H+](CCC(=O)N1CCC[C@@H]2C[NH+](C)CC[C@H]21)C1CCCCC1 ZINC000548393081 430468487 /nfs/dbraw/zinc/46/84/87/430468487.db2.gz KNXUMFBEIWQEPX-SJLPKXTDSA-N 2 0 321.509 2.584 20 0 DFADRP C[C@H](C(=O)Nc1ccc(SCC[NH+]2CCCC2)cc1)[NH+](C)C ZINC000636122114 430470331 /nfs/dbraw/zinc/47/03/31/430470331.db2.gz BWNDCBCHXLHIKC-CQSZACIVSA-N 2 0 321.490 2.763 20 0 DFADRP c1csc(-c2n[nH]cc2C[NH2+]C[C@H]2CCc3nccn3C2)c1 ZINC000548424028 430474282 /nfs/dbraw/zinc/47/42/82/430474282.db2.gz GKZZDOJVPYTUKW-GFCCVEGCSA-N 2 0 313.430 2.687 20 0 DFADRP CC1(C)[C@H]([NH3+])C[C@@H]1[NH2+]Cc1ccc(OCC(F)(F)F)cc1 ZINC000641803533 430475667 /nfs/dbraw/zinc/47/56/67/430475667.db2.gz SPUZCKGDCAHSBZ-OLZOCXBDSA-N 2 0 302.340 2.843 20 0 DFADRP CC1(C)[C@H]([NH3+])C[C@@H]1[NH2+]Cc1ccc(OCc2ccccn2)cc1 ZINC000641802744 430476594 /nfs/dbraw/zinc/47/65/94/430476594.db2.gz OJCNNQSUZUSSJA-MSOLQXFVSA-N 2 0 311.429 2.876 20 0 DFADRP CC1(C)[C@H]([NH3+])C[C@@H]1[NH2+]Cc1cccc(OCc2ccccn2)c1 ZINC000641801252 430476661 /nfs/dbraw/zinc/47/66/61/430476661.db2.gz OOTIXOMFUCOFBH-MSOLQXFVSA-N 2 0 311.429 2.876 20 0 DFADRP CC(C)[C@@H](C(=O)N1CC[NH+](C2CCCC2)CC1)[NH+]1CCCCC1 ZINC000354770941 277715828 /nfs/dbraw/zinc/71/58/28/277715828.db2.gz NVKKXWGCUKQATE-SFHVURJKSA-N 2 0 321.509 2.584 20 0 DFADRP CC(C)C[C@@H](CNC(=O)C(C)(C)C[NH3+])[NH2+][C@@H](C)c1ccccc1 ZINC000583750771 430426477 /nfs/dbraw/zinc/42/64/77/430426477.db2.gz MHKUCXDDDGJXHQ-RDJZCZTQSA-N 2 0 319.493 2.853 20 0 DFADRP CO[C@](C)(C[NH+]1CCC(CCC[NH+]2CCOCC2)CC1)C1CC1 ZINC000638953929 430482303 /nfs/dbraw/zinc/48/23/03/430482303.db2.gz BCWSVSXZPRLVFA-LJQANCHMSA-N 2 0 324.509 2.626 20 0 DFADRP OC[C@@H]1CCC[N@@H+]1Cc1ccccc1C[NH2+]C[C@@H]1C[C@H]2C[C@H]2C1 ZINC000638970318 430483505 /nfs/dbraw/zinc/48/35/05/430483505.db2.gz LTKNMZHIPPKXEU-LDTOTXGLSA-N 2 0 314.473 2.779 20 0 DFADRP CC[NH+](CC)[C@@H](C(=O)N[C@H]1CC[C@H](C[NH3+])CC1)c1ccccc1 ZINC000638969204 430483656 /nfs/dbraw/zinc/48/36/56/430483656.db2.gz RZQMZAVVKYRKFT-KBAYOESNSA-N 2 0 317.477 2.703 20 0 DFADRP CCC1([NH+](C)C)CCN(C(=O)[C@@H](C)[C@@H]([NH3+])c2ccccc2)CC1 ZINC000638975291 430486629 /nfs/dbraw/zinc/48/66/29/430486629.db2.gz JESNXUXTTLZLIC-DOTOQJQBSA-N 2 0 317.477 2.655 20 0 DFADRP CCC1([NH+](C)C)CCN(C(=O)[C@@H]2CCCCCC[C@H]2[NH3+])CC1 ZINC000638976047 430487466 /nfs/dbraw/zinc/48/74/66/430487466.db2.gz TWMHUDBDNDGINL-HZPDHXFCSA-N 2 0 309.498 2.617 20 0 DFADRP CC(C)(C)C[C@@H]1C[C@H]1C(=O)Nc1cc(N2CC[NH2+]CC2)cc[nH+]1 ZINC000638986040 430488806 /nfs/dbraw/zinc/48/88/06/430488806.db2.gz SLIBOMYCXZKFSO-DZGCQCFKSA-N 2 0 316.449 2.502 20 0 DFADRP CCC[C@@H](C(=O)Nc1cc(N2CC[NH2+]CC2)cc[nH+]1)C(C)C ZINC000638984155 430488866 /nfs/dbraw/zinc/48/88/66/430488866.db2.gz IHZHUQNGDZQINT-OAHLLOKOSA-N 2 0 304.438 2.502 20 0 DFADRP C[NH+]1CCN(c2cc[nH+]cc2N[C@H]2CC[C@H]2C2CCC2)CC1 ZINC000548885000 430508933 /nfs/dbraw/zinc/50/89/33/430508933.db2.gz RVPGORACYOQRLO-HOTGVXAUSA-N 2 0 300.450 2.824 20 0 DFADRP [NH3+]C[C@H]1CCN(C(=O)CC[C@@H]([NH3+])c2ccccc2)c2ccccc21 ZINC000639068750 430510925 /nfs/dbraw/zinc/51/09/25/430510925.db2.gz IWJUAOJIYLGKGW-SJLPKXTDSA-N 2 0 323.440 2.946 20 0 DFADRP C[C@@H](C(=O)N1CC[C@H](C[NH3+])c2ccccc21)[NH+]1CCCCCC1 ZINC000639067677 430511123 /nfs/dbraw/zinc/51/11/23/430511123.db2.gz KTWBXLGTFBLFKO-JKSUJKDBSA-N 2 0 315.461 2.730 20 0 DFADRP Cc1cc(CNC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)cc(C)n1 ZINC000570074290 430511286 /nfs/dbraw/zinc/51/12/86/430511286.db2.gz KBEFUWMKLQVRQM-ALOPSCKCSA-N 2 0 316.449 2.513 20 0 DFADRP Cn1cncc1CCCN1CCO[C@@H](c2ccccc2F)C1 ZINC000570105213 430513534 /nfs/dbraw/zinc/51/35/34/430513534.db2.gz YBZRHHZLTUCUQN-QGZVFWFLSA-N 2 0 303.381 2.565 20 0 DFADRP CCCN(C[C@H](O)C[N@H+](C)CC)[C@@H](C)c1ccccc1OC ZINC000570408133 430541351 /nfs/dbraw/zinc/54/13/51/430541351.db2.gz WXOHHYLJAPKTEQ-JKSUJKDBSA-N 2 0 308.466 2.781 20 0 DFADRP CO[C@H](Cc1ccccc1)C[N@@H+]1CCCC12CC[NH+](C)CC2 ZINC000639082826 430518012 /nfs/dbraw/zinc/51/80/12/430518012.db2.gz YAIUWLVSQDKHQS-GOSISDBHSA-N 2 0 302.462 2.804 20 0 DFADRP C[C@H]([NH2+]CC1CC[NH+](Cc2cccs2)CC1)[C@@H]1CCC[NH2+]C1 ZINC000570199924 430521881 /nfs/dbraw/zinc/52/18/81/430521881.db2.gz FXQPSZUOTZSLFH-DOTOQJQBSA-N 3 0 321.534 2.938 20 0 DFADRP CSC[C@H](O)C[NH2+]C[C@@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000570202542 430523531 /nfs/dbraw/zinc/52/35/31/430523531.db2.gz MZVLHTRZYSIQGQ-ZWKOTPCHSA-N 2 0 322.518 2.602 20 0 DFADRP C[NH+](C)[C@H]1CCCN([C@@H](c2nc[nH]n2)C2CCCCC2)CC1 ZINC000639103200 430525180 /nfs/dbraw/zinc/52/51/80/430525180.db2.gz HXHNGONJJOMBKE-JKSUJKDBSA-N 2 0 305.470 2.842 20 0 DFADRP C[NH+](C)[C@H]1CCC[N@H+](C[C@H]2CCN(c3ccccc3)C2)CC1 ZINC000639106185 430525538 /nfs/dbraw/zinc/52/55/38/430525538.db2.gz WXDHGZMETXSQEI-MSOLQXFVSA-N 2 0 301.478 2.929 20 0 DFADRP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+]C[C@@]1(O)CCCC1(C)C ZINC000549854331 430532299 /nfs/dbraw/zinc/53/22/99/430532299.db2.gz JCQCCYOWSFUGFG-SFHVURJKSA-N 2 0 314.433 2.607 20 0 DFADRP C[N@H+](CCC[NH+]1CCCC1)C[C@H]1CCN(c2ccccc2)C1 ZINC000639131972 430537377 /nfs/dbraw/zinc/53/73/77/430537377.db2.gz CINOTZTVOGPDIM-GOSISDBHSA-N 2 0 301.478 2.931 20 0 DFADRP COc1ccc([C@H](NC[C@@H]2CCC[C@H]([NH3+])C2)[C@@H]2CCC[NH2+]2)cc1 ZINC000570389249 430539782 /nfs/dbraw/zinc/53/97/82/430539782.db2.gz ZXBKADVNBMAUOI-XIVBQZFQSA-N 2 0 317.477 2.595 20 0 DFADRP c1ccc2c(c1)C[C@H]([NH2+]C1CC[NH+](C3CCCC3)CC1)CO2 ZINC000551063675 430548259 /nfs/dbraw/zinc/54/82/59/430548259.db2.gz YHTSBZFBODLZAJ-KRWDZBQOSA-N 2 0 300.446 2.987 20 0 DFADRP C[C@@H]1CCN(CC[NH2+][C@H]2CCCN(Cc3ccccc3)[C@H]2C)C1 ZINC000551034901 430548666 /nfs/dbraw/zinc/54/86/66/430548666.db2.gz UZHXWEGUFIGNBB-HBFSDRIKSA-N 2 0 315.505 2.971 20 0 DFADRP COC(C)(C)C[N@H+](C)C[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC000551386971 430555003 /nfs/dbraw/zinc/55/50/03/430555003.db2.gz IMMVEFKLNXZFLK-GOSISDBHSA-N 2 0 320.477 2.634 20 0 DFADRP C[NH+](C)CCCOc1cnccc1C[NH2+]C[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000639186155 430562081 /nfs/dbraw/zinc/56/20/81/430562081.db2.gz YRVKGOMBTGTQMA-NUJGCVRESA-N 2 0 317.477 2.938 20 0 DFADRP Nc1c(Cl)cc(Cl)cc1C[NH2+][C@@H]1CCc2nc[nH]c2C1 ZINC000639191111 430563182 /nfs/dbraw/zinc/56/31/82/430563182.db2.gz GAHPCZFFXZRGLQ-SNVBAGLBSA-N 2 0 311.216 2.946 20 0 DFADRP CC(C)(C)O[C@@H]1C[C@@H]([NH2+][C@H]2CCc3nc[nH]c3C2)C12CCC2 ZINC000639192026 430563549 /nfs/dbraw/zinc/56/35/49/430563549.db2.gz OEDANHCKSZBFOM-APHBMKBZSA-N 2 0 303.450 2.983 20 0 DFADRP O=c1c(C[NH2+]CCCCC[NH+]2CCCC2)cccn1C(F)F ZINC000639210415 430573620 /nfs/dbraw/zinc/57/36/20/430573620.db2.gz KLGQHNNOLNRHKC-UHFFFAOYSA-N 2 0 313.392 2.599 20 0 DFADRP CC[C@H]1CCC[C@@H]([NH2+]CC(=O)NCC[NH+]2CCCCCC2)C1 ZINC000552065324 430582885 /nfs/dbraw/zinc/58/28/85/430582885.db2.gz QXUACSYDKDWIEE-DLBZAZTESA-N 2 0 309.498 2.537 20 0 DFADRP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]C[C@H]1CCN(c2ccc(Cl)cc2)C1 ZINC000643452981 430602045 /nfs/dbraw/zinc/60/20/45/430602045.db2.gz BBYCYZRBJKEAGN-KEYYUXOJSA-N 2 0 307.869 2.883 20 0 DFADRP [NH3+][C@@H]1CCC[C@H]1[NH2+][C@@H]1CCN(c2ccc(C(F)(F)F)cc2)C1 ZINC000643455568 430602090 /nfs/dbraw/zinc/60/20/90/430602090.db2.gz XIHUPNOTTKFBKT-BPLDGKMQSA-N 2 0 313.367 2.754 20 0 DFADRP C[N@@H+]1CCC[C@H](CC[NH2+]Cc2ccccc2OCCCCO)C1 ZINC000639257924 430589693 /nfs/dbraw/zinc/58/96/93/430589693.db2.gz ULPOIKVPPKFLBE-QGZVFWFLSA-N 2 0 320.477 2.659 20 0 DFADRP CCC[NH+]1CCC(Nc2cccc(C[N@@H+]3CC[C@@H](O)C3)c2)CC1 ZINC000643349122 430590003 /nfs/dbraw/zinc/59/00/03/430590003.db2.gz LGVKLVVMKXYLQS-LJQANCHMSA-N 2 0 317.477 2.540 20 0 DFADRP C[N@@H+]1CCC[C@@H](CC[NH2+]Cc2ccccc2OCCCCO)C1 ZINC000639257923 430590183 /nfs/dbraw/zinc/59/01/83/430590183.db2.gz ULPOIKVPPKFLBE-KRWDZBQOSA-N 2 0 320.477 2.659 20 0 DFADRP C[C@H]([NH2+]C[C@H]1CCN(c2ccc(F)c(F)c2)C1)[C@@H]1CCC[NH2+]C1 ZINC000643453222 430602214 /nfs/dbraw/zinc/60/22/14/430602214.db2.gz POERXORAFSWRDQ-RRFJBIMHSA-N 2 0 323.431 2.769 20 0 DFADRP COc1cccc(CC[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)c1OC ZINC000570953597 430593107 /nfs/dbraw/zinc/59/31/07/430593107.db2.gz RVKGAYXXINOMLT-ZACQAIPSSA-N 2 0 318.461 2.757 20 0 DFADRP Cc1nc2ccccc2n1CCCCC[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000643366956 430593390 /nfs/dbraw/zinc/59/33/90/430593390.db2.gz LTDBSSPPWIRZIV-CALCHBBNSA-N 2 0 312.461 2.666 20 0 DFADRP Cc1cc(C)n(-c2ccc(CC[NH2+][C@@H]3CCC[C@H]([NH3+])C3)cc2)n1 ZINC000570984964 430593597 /nfs/dbraw/zinc/59/35/97/430593597.db2.gz ADDMSNYRQJAIID-ZWKOTPCHSA-N 2 0 312.461 2.891 20 0 DFADRP CO[C@H](C[NH2+][C@H]1CCCN2CCCC[C@@H]12)Cc1ccccc1 ZINC000639303868 430602341 /nfs/dbraw/zinc/60/23/41/430602341.db2.gz WDGGQEISDFEFMV-FHWLQOOXSA-N 2 0 302.462 2.851 20 0 DFADRP COc1cccc(OCCN2CCCC[C@H]2[C@H]2CCC[NH2+]2)c1 ZINC000643061698 430545696 /nfs/dbraw/zinc/54/56/96/430545696.db2.gz JGKWMSWGUAOZEB-MSOLQXFVSA-N 2 0 304.434 2.681 20 0 DFADRP COCC[N@H+](C[C@H](C[NH3+])c1ccc(OC)cc1)C1CCCC1 ZINC000643057601 430545795 /nfs/dbraw/zinc/54/57/95/430545795.db2.gz ZZTNFCRGFLORMG-INIZCTEOSA-N 2 0 306.450 2.629 20 0 DFADRP CC(C)(O)C[NH+]1CCC([NH2+][C@H]2C[C@H](c3cccc(F)c3)C2)CC1 ZINC000639148987 430545910 /nfs/dbraw/zinc/54/59/10/430545910.db2.gz UROOASVLWIRYQW-RZDIXWSQSA-N 2 0 320.452 2.897 20 0 DFADRP COc1cccc(OCCN2CCCC[C@@H]2[C@@H]2CCC[NH2+]2)c1 ZINC000643061701 430546262 /nfs/dbraw/zinc/54/62/62/430546262.db2.gz JGKWMSWGUAOZEB-ZWKOTPCHSA-N 2 0 304.434 2.681 20 0 DFADRP CC[C@H]1CCC[C@H]1[NH2+]C[C@@H](O)CN1CCc2ccccc2C1 ZINC000550897620 430546472 /nfs/dbraw/zinc/54/64/72/430546472.db2.gz GRQGKUMYLZZVRS-KFKAGJAMSA-N 2 0 302.462 2.574 20 0 DFADRP Cc1nccn1[C@@H]1CCCN(Cc2nc(C3CCC3)no2)C1 ZINC000639481014 430650653 /nfs/dbraw/zinc/65/06/53/430650653.db2.gz LAMLTKLXTACCIK-CQSZACIVSA-N 2 0 301.394 2.679 20 0 DFADRP Cc1ccc(C[NH2+]C[C@@H]2CCC[N@H+](C)C2)c(-c2ccnn2C)c1 ZINC000554919313 430656220 /nfs/dbraw/zinc/65/62/20/430656220.db2.gz UKPTWVZJLOPAMD-INIZCTEOSA-N 2 0 312.461 2.827 20 0 DFADRP CCCC[C@H](C)[N@H+](C)CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000554958919 430657249 /nfs/dbraw/zinc/65/72/49/430657249.db2.gz ZNENDXNTUZOPTI-WMZOPIPTSA-N 2 0 319.493 2.916 20 0 DFADRP CC[NH+](CC)C[C@H]1CC[N@H+](Cc2cccc3c2CCOC3)C1 ZINC000639505679 430658128 /nfs/dbraw/zinc/65/81/28/430658128.db2.gz RJFRQSCLEPZKMM-MRXNPFEDSA-N 2 0 302.462 2.923 20 0 DFADRP C[C@H]([NH2+]C[C@@H]1CCN(c2ccc(F)c(F)c2)C1)[C@@H]1CCC[NH2+]C1 ZINC000643453223 430603022 /nfs/dbraw/zinc/60/30/22/430603022.db2.gz POERXORAFSWRDQ-SOUVJXGZSA-N 2 0 323.431 2.769 20 0 DFADRP C[C@@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]C1CCN(CC(F)F)CC1 ZINC000643460036 430603659 /nfs/dbraw/zinc/60/36/59/430603659.db2.gz NCLWLPATTUMFFX-ZFWWWQNUSA-N 2 0 303.441 2.616 20 0 DFADRP O=c1ccc2c([nH]1)CCC[C@H]2[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000552922574 430603816 /nfs/dbraw/zinc/60/38/16/430603816.db2.gz JWODPEFAUQSTHW-MRXNPFEDSA-N 2 0 301.434 2.629 20 0 DFADRP CC[N@H+](Cc1ccc(C(=O)N2CC[C@H]([NH3+])C[C@H]2C)cc1)C1CC1 ZINC000571101777 430603983 /nfs/dbraw/zinc/60/39/83/430603983.db2.gz CSLSMLYPMLIFHI-PBHICJAKSA-N 2 0 315.461 2.623 20 0 DFADRP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1[NH2+]CCc1c[nH]c2cc(Cl)ccc12 ZINC000643457546 430604119 /nfs/dbraw/zinc/60/41/19/430604119.db2.gz KXABGFSRFZEBLP-UVBJJODRSA-N 2 0 321.852 2.706 20 0 DFADRP [NH3+][C@H]1CCCCC[C@@H]1[NH2+]CCc1nccn1Cc1ccccc1 ZINC000643459660 430604187 /nfs/dbraw/zinc/60/41/87/430604187.db2.gz LOAYRXGBDBNZHY-ROUUACIJSA-N 2 0 312.461 2.724 20 0 DFADRP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+][C@H]1CCN(c2ncccc2Cl)C1 ZINC000643461916 430604668 /nfs/dbraw/zinc/60/46/68/430604668.db2.gz PGIQORZKNWAXDR-CFVMTHIKSA-N 2 0 308.857 2.563 20 0 DFADRP CC(C)[C@H]([NH2+][C@@H](C)C[C@@H]1CCCCC[NH2+]1)C(=O)N1CCCC1 ZINC000643470371 430606124 /nfs/dbraw/zinc/60/61/24/430606124.db2.gz JQWWWUGEEVUGKB-ULQDDVLXSA-N 2 0 309.498 2.534 20 0 DFADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]C[C@@H](c1ccnn1C)C(C)C ZINC000643484328 430606799 /nfs/dbraw/zinc/60/67/99/430606799.db2.gz WFMOSJCWKSOADM-CXAGYDPISA-N 2 0 315.465 2.673 20 0 DFADRP C[C@H](N[C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21)[C@@H]1CCC[NH2+]1 ZINC000643480443 430607534 /nfs/dbraw/zinc/60/75/34/430607534.db2.gz TWBWYKUCOLDXRF-ONSCTEFMSA-N 2 0 313.489 2.627 20 0 DFADRP C[C@H]([NH3+])[C@H]1COCC[C@@H]1[NH2+][C@H]1C[C@@H](Oc2ccccc2)C1(C)C ZINC000571156507 430607568 /nfs/dbraw/zinc/60/75/68/430607568.db2.gz LNPSQRWIRHVDAX-SRVCANOKSA-N 2 0 318.461 2.574 20 0 DFADRP C[C@H]([NH3+])[C@H]1COCC[C@H]1[NH2+][C@H]1C[C@@H](Oc2ccccc2)C1(C)C ZINC000571156505 430608255 /nfs/dbraw/zinc/60/82/55/430608255.db2.gz LNPSQRWIRHVDAX-IREHDKGXSA-N 2 0 318.461 2.574 20 0 DFADRP [NH3+]CCC[NH2+][C@H](c1ccc(Br)cc1)[C@H]1CCCO1 ZINC000643496709 430609243 /nfs/dbraw/zinc/60/92/43/430609243.db2.gz MQABGKQVCBBBGU-ZIAGYGMSSA-N 2 0 313.239 2.608 20 0 DFADRP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+][C@H]1CCCc2nn(-c3ccccc3)cc21 ZINC000643512484 430611602 /nfs/dbraw/zinc/61/16/02/430611602.db2.gz MQCFTSFVBVDSEN-WBAXXEDZSA-N 2 0 310.445 2.967 20 0 DFADRP CO[C@H](C[NH2+]CC1CC[NH+](CC2CC2)CC1)Cc1ccccc1 ZINC000639334714 430612541 /nfs/dbraw/zinc/61/25/41/430612541.db2.gz JDLYWJWSIYWJOA-FQEVSTJZSA-N 2 0 316.489 2.956 20 0 DFADRP C[C@@H](Cc1ccccc1)[NH+]1CCC(N[C@@H]2CCC[NH2+]CC2)CC1 ZINC000643522978 430612687 /nfs/dbraw/zinc/61/26/87/430612687.db2.gz RBOSNZDEGOCNQD-PKOBYXMFSA-N 2 0 315.505 2.814 20 0 DFADRP CC(=O)Nc1cccc([C@H](C)[NH2+][C@@H]2C[C@H]2C2CC[NH2+]CC2)c1 ZINC000643532937 430612754 /nfs/dbraw/zinc/61/27/54/430612754.db2.gz BEFBVBUDZLBFLV-UYHISHBKSA-N 2 0 301.434 2.684 20 0 DFADRP C[C@@H]([NH2+]C[C@H]1CC[C@H](C[NH3+])CC1)c1ccc2[nH]c(=O)oc2c1 ZINC000643532498 430613063 /nfs/dbraw/zinc/61/30/63/430613063.db2.gz LOFYYDWFQXUMKE-JHJVBQTASA-N 2 0 303.406 2.949 20 0 DFADRP CC(C)[C@H](COCc1ccccc1)[NH2+][C@H]1CC12CC[NH2+]CC2 ZINC000643536314 430614579 /nfs/dbraw/zinc/61/45/79/430614579.db2.gz STZATZKYGMFTEU-ROUUACIJSA-N 2 0 302.462 2.960 20 0 DFADRP C[C@H]([NH2+][C@H]1CC[NH2+]C2(CCC2)C1)c1ccccc1-n1ccnn1 ZINC000643547629 430615506 /nfs/dbraw/zinc/61/55/06/430615506.db2.gz IOHBHTRXLOKOBG-GJZGRUSLSA-N 2 0 311.433 2.593 20 0 DFADRP C[C@H]([NH2+][C@H]1CC[NH2+]C2(CCC2)C1)c1ccc2[nH]c(=O)oc2c1 ZINC000643547392 430615672 /nfs/dbraw/zinc/61/56/72/430615672.db2.gz DSYJTHYMKMLMNC-AAEUAGOBSA-N 2 0 301.390 2.859 20 0 DFADRP C[C@H]([NH2+][C@@H]1CC[NH2+]C2(CCC2)C1)c1ccc(C(=O)N(C)C)cc1 ZINC000643547546 430616327 /nfs/dbraw/zinc/61/63/27/430616327.db2.gz GSUMRHZQDSJCBT-WMLDXEAASA-N 2 0 315.461 2.714 20 0 DFADRP CCC(F)(F)C(C)(C)C[NH2+]C1CC[NH+](CC(C)(C)O)CC1 ZINC000639350911 430616943 /nfs/dbraw/zinc/61/69/43/430616943.db2.gz SYXFXFSWKPRUTQ-UHFFFAOYSA-N 2 0 306.441 2.883 20 0 DFADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C[NH2+]CCC[C@@H]1CCO1 ZINC000639359630 430619633 /nfs/dbraw/zinc/61/96/33/430619633.db2.gz OLSHRRJRQOJZBL-NZSAHSFTSA-N 2 0 302.462 2.913 20 0 DFADRP CO[C@H](C[NH2+]C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C)C1CC1 ZINC000639359408 430620160 /nfs/dbraw/zinc/62/01/60/430620160.db2.gz MGFABKKLWUWVGO-ZYSHUDEJSA-N 2 0 302.462 2.769 20 0 DFADRP Cc1ccc(C2CC([NH2+][C@@H]3CCC[C@@H]3N3CC[C@H](O)C3)C2)cc1 ZINC000639373731 430625555 /nfs/dbraw/zinc/62/55/55/430625555.db2.gz UEJHXEMZARQMNO-VWAQSERHSA-N 2 0 314.473 2.818 20 0 DFADRP O[C@@H]1CCN([C@@H]2CCC[C@@H]2[NH2+]C2CC(c3ccccc3)C2)C1 ZINC000639373820 430625702 /nfs/dbraw/zinc/62/57/02/430625702.db2.gz VXVUSYUYYVLVDD-QCRHNUIXSA-N 2 0 300.446 2.510 20 0 DFADRP CC(C)[C@H](CO)C[NH2+][C@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000554085283 430628229 /nfs/dbraw/zinc/62/82/29/430628229.db2.gz FUTXDZJHISTAFF-NEWSRXKRSA-N 2 0 304.478 2.751 20 0 DFADRP C[C@H]1CCCC[N@@H+]1CCCNC(=O)CC[C@@H]1CCCC[NH+]1C ZINC000554213598 430630478 /nfs/dbraw/zinc/63/04/78/430630478.db2.gz DRXZLOFZBHJQFG-IRXDYDNUSA-N 2 0 309.498 2.632 20 0 DFADRP C[C@H]1CCCN(c2cc(NC[C@@H]3CC[N@@H+](C4CC4)C3)ncn2)C1 ZINC000554211563 430630923 /nfs/dbraw/zinc/63/09/23/430630923.db2.gz ZVFRIHYPJNIJKW-GJZGRUSLSA-N 2 0 315.465 2.609 20 0 DFADRP c1cnc2c(c1)cccc2C[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000643895299 430640634 /nfs/dbraw/zinc/64/06/34/430640634.db2.gz SAEYSPCCZPYLIJ-UHFFFAOYSA-N 2 0 304.397 2.952 20 0 DFADRP C[NH+]1CCN(Cc2ccc(C[NH2+][C@@H]3CCCC34CC4)cc2)CC1 ZINC000571658473 430644702 /nfs/dbraw/zinc/64/47/02/430644702.db2.gz IXXNQNXKDOUUDF-LJQANCHMSA-N 2 0 313.489 2.856 20 0 DFADRP CCn1c2ccccc2nc1CN(C)[C@@H]1CC[N@H+](C)C[C@H]1C ZINC000571689921 430646249 /nfs/dbraw/zinc/64/62/49/430646249.db2.gz XSHRAFWQVHQSJI-GDBMZVCRSA-N 2 0 300.450 2.828 20 0 DFADRP COc1c(Br)cccc1C[NH2+][C@H](C)C[C@@H](C)[NH3+] ZINC000571991890 430665634 /nfs/dbraw/zinc/66/56/34/430665634.db2.gz AWRJVBSFYAXFGP-NXEZZACHSA-N 2 0 301.228 2.673 20 0 DFADRP COc1c(Br)cccc1C[NH2+][C@@H](C)C[C@H](C)[NH3+] ZINC000571991891 430666012 /nfs/dbraw/zinc/66/60/12/430666012.db2.gz AWRJVBSFYAXFGP-UWVGGRQHSA-N 2 0 301.228 2.673 20 0 DFADRP C[C@@H](c1ccccc1)[C@H](O)C[NH2+]C1CC[NH+](C2CCC2)CC1 ZINC000572028540 430667604 /nfs/dbraw/zinc/66/76/04/430667604.db2.gz BYFUNOUUMYEXDM-HNAYVOBHSA-N 2 0 302.462 2.758 20 0 DFADRP CSc1ccccc1NC(=O)CC[N@@H+]1CC[C@H]([NH3+])C[C@@H]1C ZINC000572055679 430669748 /nfs/dbraw/zinc/66/97/48/430669748.db2.gz MFUAMECMFUYMQQ-STQMWFEESA-N 2 0 307.463 2.549 20 0 DFADRP COc1cccc(N2CC[C@H](C[NH2+][C@@H]3CCCCC[C@H]3[NH3+])C2)c1 ZINC000572111622 430672415 /nfs/dbraw/zinc/67/24/15/430672415.db2.gz MSDDEFMLQWJCDE-ATZDWAIDSA-N 2 0 317.477 2.771 20 0 DFADRP COC1(C[C@H](C)Nc2c[nH+]ccc2N2CC[NH+](C)CC2)CCC1 ZINC000555665799 430672551 /nfs/dbraw/zinc/67/25/51/430672551.db2.gz WVNNVDCMFGMRBW-HNNXBMFYSA-N 2 0 318.465 2.593 20 0 DFADRP COc1nc2ccccc2cc1C[NH2+][C@H]1CCc2nc[nH]c2C1 ZINC000572170716 430675043 /nfs/dbraw/zinc/67/50/43/430675043.db2.gz FKDNIBYOELDCDG-AWEZNQCLSA-N 2 0 308.385 2.614 20 0 DFADRP C[C@H]([NH2+][C@@H]1CCCN(Cc2ccccc2)C1)[C@H]1CCC[NH2+]C1 ZINC000572257769 430678241 /nfs/dbraw/zinc/67/82/41/430678241.db2.gz QIFDNGALBSHFFO-YTQUADARSA-N 2 0 301.478 2.629 20 0 DFADRP CSC1(C[NH2+]CC2Cc3ccccc3C2)CC[NH+](C)CC1 ZINC000571966382 430662808 /nfs/dbraw/zinc/66/28/08/430662808.db2.gz KZFHSLDHEBSVIW-UHFFFAOYSA-N 2 0 304.503 2.818 20 0 DFADRP C[C@H](C(=O)N1CCC([NH2+]C2CCCC2)CC1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000369479245 278136620 /nfs/dbraw/zinc/13/66/20/278136620.db2.gz UCNOTZWNIBKUGT-OWCLPIDISA-N 2 0 321.509 2.771 20 0 DFADRP C[C@H](C(=O)N[C@@H](C[NH+](C)C)c1ccccc1)[NH+]1CCCCCC1 ZINC000114227384 278152759 /nfs/dbraw/zinc/15/27/59/278152759.db2.gz LEOBCSVKPRILAK-AEFFLSMTSA-N 2 0 317.477 2.670 20 0 DFADRP C[C@@H]1CN(Cc2ccccn2)CC[C@H]1[NH2+]CCOCC1CCC1 ZINC000572571974 430690624 /nfs/dbraw/zinc/69/06/24/430690624.db2.gz GSYVCFQWPJOLOS-VQIMIIECSA-N 2 0 317.477 2.698 20 0 DFADRP C[C@H](CCN[C@H]1CC[N@H+](C)[C@H](C)C1)[NH+](C)Cc1ccccc1 ZINC000156196299 278174101 /nfs/dbraw/zinc/17/41/01/278174101.db2.gz JCHQXSFIESPDGQ-LMMKCTJWSA-N 2 0 303.494 2.969 20 0 DFADRP C[C@@H](CN1CC[NH+](C)CC1)[NH2+][C@@H]1C[C@H](c2ccccc2)C1(C)C ZINC000123204531 278261077 /nfs/dbraw/zinc/26/10/77/278261077.db2.gz MYQUALXTNWOYHQ-QXAKKESOSA-N 2 0 315.505 2.794 20 0 DFADRP O=C(C[NH2+][C@@H]1CCCC12CCCC2)NCC[NH+]1CCCCCC1 ZINC000572668742 430694267 /nfs/dbraw/zinc/69/42/67/430694267.db2.gz VYWDGDVLXCTLEC-QGZVFWFLSA-N 2 0 321.509 2.681 20 0 DFADRP C[N@@H+]1CC[C@@H](Nc2cc(NC3CC3)ncn2)[C@@H]1c1ccccc1 ZINC000556839871 430694410 /nfs/dbraw/zinc/69/44/10/430694410.db2.gz ZBQLWVXOZKPKOA-QAPCUYQASA-N 2 0 309.417 2.908 20 0 DFADRP C[C@H](O)[C@](C)(C[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1)Cc1ccccc1 ZINC000249615391 278300866 /nfs/dbraw/zinc/30/08/66/278300866.db2.gz OXGFUDFMGQIQAQ-JFRXWTBNSA-N 2 0 304.478 2.689 20 0 DFADRP C[C@H](O)[C@](C)(C[NH2+][C@H]1CC[N@H+](C)C[C@H]1C)Cc1ccccc1 ZINC000357794092 278301336 /nfs/dbraw/zinc/30/13/36/278301336.db2.gz DXGBIANAXMKHFW-NEPXVJNWSA-N 2 0 304.478 2.546 20 0 DFADRP C[C@@H]([NH2+]CC1CC[NH+](C[C@H](O)c2ccccc2)CC1)C1CC1 ZINC000237426117 278341586 /nfs/dbraw/zinc/34/15/86/278341586.db2.gz UNMFSEYXPUIFER-BEFAXECRSA-N 2 0 302.462 2.820 20 0 DFADRP C[C@@H]([NH2+]CCCC[N@@H+]1CCC[C@@H]1CO)c1cc(F)cc(F)c1 ZINC000268863405 278343642 /nfs/dbraw/zinc/34/36/42/278343642.db2.gz FBVKUIJGKWZVQN-CXAGYDPISA-N 2 0 312.404 2.852 20 0 DFADRP CC(C)[C@@H]1CC[C@H]1[NH2+][C@@H](CN1CC[NH+](C)CC1)c1ccccc1 ZINC000556873653 430695469 /nfs/dbraw/zinc/69/54/69/430695469.db2.gz ZZFPXGMAHDSVOQ-ZCNNSNEGSA-N 2 0 315.505 2.999 20 0 DFADRP CC(C)(C(=O)N[C@@H]1CC[NH2+]C2(CCC2)C1)[C@H]([NH3+])c1ccccc1 ZINC000648187451 430703051 /nfs/dbraw/zinc/70/30/51/430703051.db2.gz QJDVIOGTIUFJDZ-HZPDHXFCSA-N 2 0 315.461 2.504 20 0 DFADRP Cc1cc(Cl)ccc1C[NH2+]C1CCN([C@H]2CCOC2)CC1 ZINC000657752211 430725310 /nfs/dbraw/zinc/72/53/10/430725310.db2.gz NLEZJFXURVAKOL-KRWDZBQOSA-N 2 0 308.853 2.991 20 0 DFADRP Cc1cccc2[nH]c(C[NH2+]C3CCN([C@@H]4CCOC4)CC3)cc21 ZINC000657752188 430725535 /nfs/dbraw/zinc/72/55/35/430725535.db2.gz NBQKLDDDVONZMG-QGZVFWFLSA-N 2 0 313.445 2.819 20 0 DFADRP CC[C@H]1C[C@H]([NH2+]Cc2cccc(OCC[NH+](C)C)c2)CCO1 ZINC000648427721 430782189 /nfs/dbraw/zinc/78/21/89/430782189.db2.gz TUDYAEPSMOMTLW-SJORKVTESA-N 2 0 306.450 2.674 20 0 DFADRP CO[C@H](C[NH2+]Cc1ccnn1-c1cc[nH+]cc1)C1CCCC1 ZINC000657768484 430729923 /nfs/dbraw/zinc/72/99/23/430729923.db2.gz NNDVPRWHGWTJTJ-QGZVFWFLSA-N 2 0 300.406 2.562 20 0 DFADRP CO[C@@H](C[NH2+]Cc1ccnn1-c1cc[nH+]cc1)C1CCCCC1 ZINC000657781102 430732061 /nfs/dbraw/zinc/73/20/61/430732061.db2.gz BEBPEFZYMATMMV-SFHVURJKSA-N 2 0 314.433 2.952 20 0 DFADRP CC1(C[NH2+]C[C@H]2C[N@H+](Cc3ccccc3)CC23CCC3)COC1 ZINC000657772365 430733131 /nfs/dbraw/zinc/73/31/31/430733131.db2.gz MENNGRQDNCNEQY-SFHVURJKSA-N 2 0 314.473 2.915 20 0 DFADRP C[C@@H]([NH2+]CCN1CC[N@H+](C)C(C)(C)C1)c1cc2cnccc2o1 ZINC000658003577 430784205 /nfs/dbraw/zinc/78/42/05/430784205.db2.gz SPZQXYRYATUARB-CQSZACIVSA-N 2 0 316.449 2.504 20 0 DFADRP c1cc2c(c(C[NH2+]CC3CC[NH+](CC4CC4)CC3)c1)OCO2 ZINC000657813114 430744982 /nfs/dbraw/zinc/74/49/82/430744982.db2.gz ZNGZUVCMIIOCOY-UHFFFAOYSA-N 2 0 302.418 2.627 20 0 DFADRP OCC1(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]3CCC[C@H]32)CC1 ZINC000651241625 430747659 /nfs/dbraw/zinc/74/76/59/430747659.db2.gz XCDWFQNZQDLFOA-IPMKNSEASA-N 2 0 314.473 2.792 20 0 DFADRP CCN1CC[NH+](CCCC[NH2+][C@@H](C)C(C)(C)C(F)F)CC1 ZINC000657833694 430748565 /nfs/dbraw/zinc/74/85/65/430748565.db2.gz BRWOHAXWZFDIJD-AWEZNQCLSA-N 2 0 305.457 2.674 20 0 DFADRP C[C@H]([NH2+]CCC(=O)Nc1ccccc1F)C(C)(C)C[NH+](C)C ZINC000644574179 430756558 /nfs/dbraw/zinc/75/65/58/430756558.db2.gz LLGPFZCNGVUNKP-ZDUSSCGKSA-N 2 0 309.429 2.720 20 0 DFADRP CC[C@@H]([NH2+]C[C@H](O)CN(C)Cc1ccccc1)c1ccncc1 ZINC000644573594 430756800 /nfs/dbraw/zinc/75/68/00/430756800.db2.gz QQAOOTPOVXKFQI-RBUKOAKNSA-N 2 0 313.445 2.615 20 0 DFADRP CC[C@@H](Cc1ccc(C(F)(F)F)cc1)[NH2+]C[C@H](O)CN(C)C ZINC000657876035 430758464 /nfs/dbraw/zinc/75/84/64/430758464.db2.gz SZFPNBSCELNGKD-GJZGRUSLSA-N 2 0 318.383 2.539 20 0 DFADRP CC[NH+]1CCC(CC[NH2+]C[C@@H](O)Cc2cccc(Cl)c2)CC1 ZINC000644576668 430758574 /nfs/dbraw/zinc/75/85/74/430758574.db2.gz SSWUHIVMDCSSII-SFHVURJKSA-N 2 0 324.896 2.955 20 0 DFADRP CC(C)Cc1ccc([C@H](C)[C@H](C)[NH2+]C[C@@H](O)CN(C)C)cc1 ZINC000657875473 430758888 /nfs/dbraw/zinc/75/88/88/430758888.db2.gz KQBSNWRZXHQLCX-JTDSTZFVSA-N 2 0 306.494 2.889 20 0 DFADRP CC[NH+]1CCC(CC[NH2+]C[C@H](O)[C@@H](C)c2ccccc2)CC1 ZINC000644576579 430759066 /nfs/dbraw/zinc/75/90/66/430759066.db2.gz AZRNORQHJPHZIC-LPHOPBHVSA-N 2 0 304.478 2.863 20 0 DFADRP CC1(C)[C@H]2CCC[C@H]2[C@@H]1[NH2+]C1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000657890661 430761429 /nfs/dbraw/zinc/76/14/29/430761429.db2.gz LUXLLMAVXIXRRB-RANZSIQMSA-N 2 0 306.494 2.902 20 0 DFADRP CC[C@H]([NH2+]C[C@H]1CCC[N@@H+](C(C)C)C1)C1(C(=O)OC)CCC1 ZINC000353542946 288048928 /nfs/dbraw/zinc/04/89/28/288048928.db2.gz NXLZRJDDIVEDEA-CVEARBPZSA-N 2 0 310.482 2.818 20 0 DFADRP CN(Cc1ccccc1)C[C@@H](O)C[NH2+][C@H]1CCCC(F)(F)C1 ZINC000644602134 430766341 /nfs/dbraw/zinc/76/63/41/430766341.db2.gz KBNWCCFTRGWOMC-HOTGVXAUSA-N 2 0 312.404 2.647 20 0 DFADRP CCOC1CCC([NH2+]CCCC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000657918429 430767424 /nfs/dbraw/zinc/76/74/24/430767424.db2.gz CIELTDSVSYGMJP-MRLCAUJQSA-N 2 0 312.498 2.813 20 0 DFADRP C[C@H]([NH2+]C1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)C(C)(C)C(F)F ZINC000657925981 430769291 /nfs/dbraw/zinc/76/92/91/430769291.db2.gz QJEWDHFMJFURKG-YUTCNCBUSA-N 2 0 304.425 2.634 20 0 DFADRP Cc1cc2ncn(C[C@@H](O)CN[C@@H]3CCCC3(F)F)c2cc1C ZINC000644647521 430778403 /nfs/dbraw/zinc/77/84/03/430778403.db2.gz BEJDBEZLMDQXNR-XJKSGUPXSA-N 2 0 323.387 2.791 20 0 DFADRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+]C1CCC(C2CCC2)CC1 ZINC000657976526 430778928 /nfs/dbraw/zinc/77/89/28/430778928.db2.gz OYQLEEBAHBJOQB-IPJUCJBFSA-N 2 0 307.526 2.961 20 0 DFADRP CCc1cccnc1[C@@H](C)[NH2+][C@@H](C)CN(C)CCC[NH+](C)C ZINC000658106622 430812543 /nfs/dbraw/zinc/81/25/43/430812543.db2.gz JKNZIFQKJGIAIQ-JKSUJKDBSA-N 2 0 306.498 2.567 20 0 DFADRP Cc1nc2c(s1)[C@@H]([NH2+][C@@H](C)CN(C)CCC[NH+](C)C)CCC2 ZINC000658106295 430813264 /nfs/dbraw/zinc/81/32/64/430813264.db2.gz ATQFTQZIXHNRRJ-ZFWWWQNUSA-N 2 0 324.538 2.691 20 0 DFADRP C[N@@H+]1CC[C@H]([NH2+]Cc2cccnc2N2CCCC2)[C@H]2CCC[C@@H]21 ZINC000658105368 430813390 /nfs/dbraw/zinc/81/33/90/430813390.db2.gz IFDIOBKBXBHTFJ-SQNIBIBYSA-N 2 0 314.477 2.644 20 0 DFADRP Cc1nc([C@@H](C)[NH2+][C@@H](C)CN(C)CCC[NH+](C)C)c(C)s1 ZINC000658106176 430813483 /nfs/dbraw/zinc/81/34/83/430813483.db2.gz GJCIROIITGOLLK-QWHCGFSZSA-N 2 0 312.527 2.683 20 0 DFADRP COc1ccc(C)cc1[C@@H](C)[NH2+][C@@H](C)CN(C)CCC[NH+](C)C ZINC000658108333 430814735 /nfs/dbraw/zinc/81/47/35/430814735.db2.gz NCGNNFVQCGJYNE-DLBZAZTESA-N 2 0 321.509 2.926 20 0 DFADRP OC/C=C/C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H]2CCC[C@H]21 ZINC000658141963 430822403 /nfs/dbraw/zinc/82/24/03/430822403.db2.gz XVYAXMCPHATPTN-HVLDZDKDSA-N 2 0 300.446 2.568 20 0 DFADRP C[C@@H]([NH2+]Cc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1)C1CCCC1 ZINC000658139888 430823369 /nfs/dbraw/zinc/82/33/69/430823369.db2.gz NOCGHPKSMMSGQE-DNVCBOLYSA-N 2 0 302.462 2.922 20 0 DFADRP C[C@H]([NH2+][C@@H](C)C1(CO)CC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000658155323 430825973 /nfs/dbraw/zinc/82/59/73/430825973.db2.gz OZVSITDBYQUKQQ-XYJFISCASA-N 2 0 302.462 2.648 20 0 DFADRP CCO[C@H]1C[C@H]([NH2+][C@H](C)c2cccc(OCC[NH+](C)C)c2)C1 ZINC000658165018 430829755 /nfs/dbraw/zinc/82/97/55/430829755.db2.gz ZCMNXHXZULOESQ-QGPMSJSTSA-N 2 0 306.450 2.845 20 0 DFADRP COC[C@H]([NH2+][C@H](C)C1CC[NH+](C)CC1)c1cccc(OC)c1 ZINC000658162546 430829934 /nfs/dbraw/zinc/82/99/34/430829934.db2.gz FIZBRWPZYBMHPX-KDOFPFPSSA-N 2 0 306.450 2.703 20 0 DFADRP COCCN1CCC([NH2+]Cc2cc3cc(Cl)cnc3o2)CC1 ZINC000648437673 430787706 /nfs/dbraw/zinc/78/77/06/430787706.db2.gz MYDCDUFHNLKFKW-UHFFFAOYSA-N 2 0 323.824 2.682 20 0 DFADRP CCCC[C@@H](COC)[NH2+]CC1CC[NH+](C2CCOCC2)CC1 ZINC000658067911 430797823 /nfs/dbraw/zinc/79/78/23/430797823.db2.gz RYDBDWSKYQKZLE-KRWDZBQOSA-N 2 0 312.498 2.672 20 0 DFADRP C[C@H]([NH2+]CC1CC[NH+](C2CCOCC2)CC1)c1cscn1 ZINC000658067372 430797886 /nfs/dbraw/zinc/79/78/86/430797886.db2.gz MXNNSGXIIVATPK-ZDUSSCGKSA-N 2 0 309.479 2.685 20 0 DFADRP CC(C)[NH+]1CCC(O)(C[NH2+][C@H]2CCCc3ccccc3C2)CC1 ZINC000648472247 430798042 /nfs/dbraw/zinc/79/80/42/430798042.db2.gz DARVDAFYBIQGOK-IBGZPJMESA-N 2 0 316.489 2.759 20 0 DFADRP C[N@@H+]1CCCC[C@H]1CC[NH+]1CC[C@H](c2ccccc2)[C@H](CO)C1 ZINC000661665241 430798418 /nfs/dbraw/zinc/79/84/18/430798418.db2.gz RCXQZJYRMFVOMJ-SLFFLAALSA-N 2 0 316.489 2.959 20 0 DFADRP COC[C@H](CC[NH2+][C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1)OC ZINC000658086028 430805905 /nfs/dbraw/zinc/80/59/05/430805905.db2.gz SYGQOBDXAMKLJV-WDSOQIARSA-N 2 0 320.477 2.538 20 0 DFADRP C[C@H]([NH2+][C@H](CO)C1CCC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000658088562 430806088 /nfs/dbraw/zinc/80/60/88/430806088.db2.gz UXWLWLOPJKEQMG-KFKAGJAMSA-N 2 0 302.462 2.648 20 0 DFADRP COC[C@H](CC[NH2+]C1CC[NH+]([C@@H]2CCC[C@@H](C)C2)CC1)OC ZINC000658085430 430806357 /nfs/dbraw/zinc/80/63/57/430806357.db2.gz XFBPAFRTGVWVJE-NXHRZFHOSA-N 2 0 312.498 2.671 20 0 DFADRP OC[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)C1CCC1 ZINC000658089040 430806989 /nfs/dbraw/zinc/80/69/89/430806989.db2.gz WTZHGCXTLDHBIO-NXEWRWPSSA-N 2 0 314.473 2.933 20 0 DFADRP C[C@H]([NH2+]Cc1cccnc1N1CCCC1)C1CC[NH+](C)CC1 ZINC000658100109 430810021 /nfs/dbraw/zinc/81/00/21/430810021.db2.gz GDSGWURORJXSQO-HNNXBMFYSA-N 2 0 302.466 2.502 20 0 DFADRP C[C@H]1CCCCC[C@H]1[NH2+]Cc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000651673336 430845698 /nfs/dbraw/zinc/84/56/98/430845698.db2.gz FLNQUYFGXGXSGP-FUHWJXTLSA-N 2 0 316.493 2.892 20 0 DFADRP C[C@@H]1CCCCC[C@@H]1[NH2+]Cc1ccnc(N2CC[NH+](C)CC2)c1 ZINC000651679284 430847870 /nfs/dbraw/zinc/84/78/70/430847870.db2.gz VYAWPDXUADHOBY-AEFFLSMTSA-N 2 0 316.493 2.892 20 0 DFADRP CCC[NH+]1CCC([NH2+][C@@H]2CCC[C@@H]2Cc2cnn(C)c2)CC1 ZINC000658236033 430848122 /nfs/dbraw/zinc/84/81/22/430848122.db2.gz RECOKWKZPKCDJP-SJLPKXTDSA-N 2 0 304.482 2.595 20 0 DFADRP CN1C[C@H](C[NH2+]C2CC[NH+](C(C)(C)CC(C)(C)C)CC2)CC1=O ZINC000658242772 430851224 /nfs/dbraw/zinc/85/12/24/430851224.db2.gz VNCHLLFQIVYABT-HNNXBMFYSA-N 2 0 323.525 2.734 20 0 DFADRP C[C@H]1CCCCC[C@@H]1[NH2+]Cc1cccnc1N1CC[NH+](C)CC1 ZINC000651692769 430851296 /nfs/dbraw/zinc/85/12/96/430851296.db2.gz QUNYSXYXRHEPNV-WMZOPIPTSA-N 2 0 316.493 2.892 20 0 DFADRP C[C@H]1c2ccccc2C[C@H]1[NH2+]Cc1cc(C2CC[NH2+]CC2)no1 ZINC000665244719 430866567 /nfs/dbraw/zinc/86/65/67/430866567.db2.gz UQRQUNWKDFPFHY-SCLBCKFNSA-N 2 0 311.429 2.960 20 0 DFADRP C[C@H](NCC1([NH3+])CCCC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000665247896 430868362 /nfs/dbraw/zinc/86/83/62/430868362.db2.gz LKFGEAISUVVXQD-WMZOPIPTSA-N 2 0 301.478 2.758 20 0 DFADRP C[C@@H]([NH2+][C@@H]1CNCC[C@@H]1c1ccc(F)cc1)C1CC[NH+](C)CC1 ZINC000665257897 430872596 /nfs/dbraw/zinc/87/25/96/430872596.db2.gz XVHQTUFCXIXSOT-NIKGAXFTSA-N 2 0 319.468 2.591 20 0 DFADRP C[C@@H]1CCC[C@H](C[NH2+][C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)O1 ZINC000665264849 430875739 /nfs/dbraw/zinc/87/57/39/430875739.db2.gz JLEWLQKAIMSIJD-FXRXJOCMSA-N 2 0 316.445 2.790 20 0 DFADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]C[C@H]2CCOC2(C)C)[C@@H](C)C1 ZINC000658331174 430877400 /nfs/dbraw/zinc/87/74/00/430877400.db2.gz MBBQJLZVHZQYDE-BBWFWOEESA-N 2 0 312.498 2.528 20 0 DFADRP Cn1ncc(C2CCC2)c1C[NH2+][C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000665274401 430879460 /nfs/dbraw/zinc/87/94/60/430879460.db2.gz PJNKRIKNAUTJSK-USXIJHARSA-N 2 0 302.466 2.698 20 0 DFADRP COc1cc([C@@H](C)[NH2+]CC[C@@H]([NH3+])C(C)C)cc(OC)c1OC ZINC000665280047 430880512 /nfs/dbraw/zinc/88/05/12/430880512.db2.gz RNSGKCHXDGFWEH-TZMCWYRMSA-N 2 0 310.438 2.736 20 0 DFADRP CCC[C@H](C)[C@H](CC)[NH2+]C1CCN(C(=O)CCC[NH2+]C)CC1 ZINC000665287226 430883199 /nfs/dbraw/zinc/88/31/99/430883199.db2.gz FSPGUVMFPSDPFH-RDJZCZTQSA-N 2 0 311.514 2.781 20 0 DFADRP C[N@@H+]1CC[C@H]([NH2+]CC2CC[NH+](CC3CC3)CC2)[C@@H]2CCC[C@H]21 ZINC000658351958 430883784 /nfs/dbraw/zinc/88/37/84/430883784.db2.gz BQXPIETYQHEYHX-GBESFXJTSA-N 3 0 305.510 2.571 20 0 DFADRP CO[C@H](C[NH2+]Cc1cc(C2CC[NH2+]CC2)no1)C1CCCCC1 ZINC000665283992 430884184 /nfs/dbraw/zinc/88/41/84/430884184.db2.gz YLYOIKYLQBPIIR-GOSISDBHSA-N 2 0 321.465 2.827 20 0 DFADRP CO[C@@H]1[C@@H](C)[C@@H]([NH2+]CC2CC[NH+](CC3CC3)CC2)C12CCC2 ZINC000658356935 430884515 /nfs/dbraw/zinc/88/45/15/430884515.db2.gz QJDQJDOXXQZHTH-BMGDILEWSA-N 2 0 306.494 2.902 20 0 DFADRP CC1(C)[C@H]([NH2+]CC2CC[NH+](CC3CC3)CC2)[C@H]2CCCO[C@@H]21 ZINC000658355505 430884864 /nfs/dbraw/zinc/88/48/64/430884864.db2.gz JEHVVZASRWUCFT-KURKYZTESA-N 2 0 306.494 2.902 20 0 DFADRP CC[C@@H]1C[C@H](C)CC[C@H]1[NH2+]C1CCN(C(=O)CCC[NH2+]C)CC1 ZINC000665287947 430885358 /nfs/dbraw/zinc/88/53/58/430885358.db2.gz ZEVUXIUDOSITKZ-JFIYKMOQSA-N 2 0 323.525 2.781 20 0 DFADRP CO[C@@H]1[C@H](C)[C@@H]([NH2+]CC2CC[NH+](CC3CC3)CC2)C12CCC2 ZINC000658356939 430885746 /nfs/dbraw/zinc/88/57/46/430885746.db2.gz QJDQJDOXXQZHTH-ZTFGCOKTSA-N 2 0 306.494 2.902 20 0 DFADRP CCC[C@@H]([NH2+]C1CCN(C(=O)CCC[NH2+]C)CC1)C1CCCC1 ZINC000665289829 430885768 /nfs/dbraw/zinc/88/57/68/430885768.db2.gz YFLLPOGWVRTAOT-GOSISDBHSA-N 2 0 323.525 2.926 20 0 DFADRP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]Cc1cccc(COC[C@@H]2CCCO2)c1 ZINC000665294425 430889675 /nfs/dbraw/zinc/88/96/75/430889675.db2.gz OQEIVUMCMKHTIG-FHWLQOOXSA-N 2 0 318.461 2.599 20 0 DFADRP CCCC[C@H](C)[C@@H](C)[NH2+]C1CCN(C(=O)CCC[NH2+]C)CC1 ZINC000665289682 430886979 /nfs/dbraw/zinc/88/69/79/430886979.db2.gz USFHQQKCSTUAFC-JKSUJKDBSA-N 2 0 311.514 2.781 20 0 DFADRP C[NH2+]CCCC(=O)N1CCC([NH2+][C@H](C)CCC(C)(C)C)CC1 ZINC000665289533 430887644 /nfs/dbraw/zinc/88/76/44/430887644.db2.gz QOZJHAYNRWYHJE-OAHLLOKOSA-N 2 0 311.514 2.781 20 0 DFADRP C[C@H]1CN(C2CC2)C[C@H]1[NH2+]C[C@@H]1C[C@H](c2ccccc2)CO1 ZINC000658209271 430842389 /nfs/dbraw/zinc/84/23/89/430842389.db2.gz ZOKXOEJOJKIYKV-OYSPMZIOSA-N 2 0 300.446 2.631 20 0 DFADRP CC(C)OC1CCC([NH2+]Cc2cc(C3CC[NH2+]CC3)no2)CC1 ZINC000645076637 430896836 /nfs/dbraw/zinc/89/68/36/430896836.db2.gz AXGINVKTNGFDGU-UHFFFAOYSA-N 2 0 321.465 2.967 20 0 DFADRP CC(C)C[N@H+](C)CCC[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000651864748 430897538 /nfs/dbraw/zinc/89/75/38/430897538.db2.gz CIVSBHCIFVDSTM-UHFFFAOYSA-N 3 0 304.482 2.618 20 0 DFADRP Cc1ccc(C[NH2+]CCCN2CCC[N@@H+](C)CC2)c(Cl)c1 ZINC000651953113 430924004 /nfs/dbraw/zinc/92/40/04/430924004.db2.gz RNNSRFWMQZSPJY-UHFFFAOYSA-N 2 0 309.885 2.766 20 0 DFADRP CCC[NH+]1CCC([NH2+][C@@H]2CCO[C@H](c3ccncc3)C2)CC1 ZINC000651966071 430927855 /nfs/dbraw/zinc/92/78/55/430927855.db2.gz NMTSQRQIWLXVIG-MSOLQXFVSA-N 2 0 303.450 2.766 20 0 DFADRP C[C@@H]1C[N@H+](Cc2ccc(OCC[NH+](C)C)cc2)C2(CCC2)CO1 ZINC000651975731 430929709 /nfs/dbraw/zinc/92/97/09/430929709.db2.gz LWGAIRPVDUTBOK-MRXNPFEDSA-N 2 0 318.461 2.770 20 0 DFADRP C[NH2+]Cc1ccccc1NC(=O)NC[C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000659019814 430941680 /nfs/dbraw/zinc/94/16/80/430941680.db2.gz RIUGMVCQPXNRIV-AWEZNQCLSA-N 2 0 318.465 2.648 20 0 DFADRP C[NH+](C)CC1(C(=O)N[C@H]2CCC[N@@H+]3CCCC[C@H]23)CCCCC1 ZINC000655351180 430973490 /nfs/dbraw/zinc/97/34/90/430973490.db2.gz PGRHTBQBMJBMQJ-DLBZAZTESA-N 2 0 321.509 2.632 20 0 DFADRP Cc1cccc(Cl)c1CN1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000662152708 430980112 /nfs/dbraw/zinc/98/01/12/430980112.db2.gz YBRGZDARIRTXFQ-HNNXBMFYSA-N 2 0 308.853 2.679 20 0 DFADRP O[C@@H]1CC[N@@H+](C2CCN(Cc3cc4ccccc4s3)CC2)C1 ZINC000662152223 430980653 /nfs/dbraw/zinc/98/06/53/430980653.db2.gz AFTGXQFCPNMTQR-MRXNPFEDSA-N 2 0 316.470 2.932 20 0 DFADRP Cc1ccc2[nH+]ccc(N3CCOC4(CC[NH+](C)CC4)C3)c2c1 ZINC000645385613 430988117 /nfs/dbraw/zinc/98/81/17/430988117.db2.gz LVOYOYAZHCMJNS-UHFFFAOYSA-N 2 0 311.429 2.844 20 0 DFADRP Cc1ccccc1C[C@@H]1CCC[N@@H+]1C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662258115 431019505 /nfs/dbraw/zinc/01/95/05/431019505.db2.gz SCGYBKRWJNMUNQ-ROUUACIJSA-N 2 0 300.446 2.523 20 0 DFADRP CCO[C@@H]1C[C@H]([N@H+](C)Cc2cccc3c2CC[NH2+]C3)C1(C)C ZINC000662258342 431020342 /nfs/dbraw/zinc/02/03/42/431020342.db2.gz ZPKUFACNUJDSOD-ZWKOTPCHSA-N 2 0 302.462 2.968 20 0 DFADRP [NH3+]C[C@H]1CCCc2ccc(C(=O)Nc3ccc4c(c3)C[NH2+]C4)cc21 ZINC000659313068 431021354 /nfs/dbraw/zinc/02/13/54/431021354.db2.gz LUWGLWYBTCBMRA-OAHLLOKOSA-N 2 0 321.424 2.921 20 0 DFADRP C[NH+](C)CCN(C(=O)C[C@@H]1[NH2+]Cc2ccccc21)C1CCCC1 ZINC000659316675 431021793 /nfs/dbraw/zinc/02/17/93/431021793.db2.gz QJGUBVLWBXUTDG-SFHVURJKSA-N 2 0 315.461 2.554 20 0 DFADRP CCc1nc(C)c([C@@H](C)[N@H+](C)C[C@@H]2CCC3(C[NH2+]C3)O2)s1 ZINC000662262043 431022526 /nfs/dbraw/zinc/02/25/26/431022526.db2.gz DATFCFLYKRJOHE-OLZOCXBDSA-N 2 0 309.479 2.528 20 0 DFADRP Cc1nn(C)cc1[C@H]1CCC[N@@H+]1Cc1cccc2c1CC[NH2+]C2 ZINC000662261908 431022938 /nfs/dbraw/zinc/02/29/38/431022938.db2.gz CGDTUXGMRXMXIX-LJQANCHMSA-N 2 0 310.445 2.711 20 0 DFADRP [NH3+]CCC[C@@H](NC(=O)C[C@@H]1[NH2+]Cc2ccccc21)c1ccccc1 ZINC000659322994 431026411 /nfs/dbraw/zinc/02/64/11/431026411.db2.gz UKEYYVXEHWVEPD-MOPGFXCFSA-N 2 0 323.440 2.817 20 0 DFADRP c1ccc(COCC[N@@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)cc1 ZINC000662271989 431026536 /nfs/dbraw/zinc/02/65/36/431026536.db2.gz ASVAIIFLUFFOSG-MOPGFXCFSA-N 2 0 302.462 2.915 20 0 DFADRP C[C@@H]1CCCC[C@@H]1OCC[N@@H+]1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1 ZINC000652348224 431027312 /nfs/dbraw/zinc/02/73/12/431027312.db2.gz YEKLOFKKVIJVHR-LFDJNIOPSA-N 2 0 324.509 2.800 20 0 DFADRP [NH3+][C@@H]1CCO[C@H]([C@H]2CCC[N@H+](CCSc3ccccc3)C2)C1 ZINC000652347976 431027645 /nfs/dbraw/zinc/02/76/45/431027645.db2.gz QOTXLPNNRAXFMI-JZXOWHBKSA-N 2 0 320.502 2.997 20 0 DFADRP Cc1ccc(NC(=O)[C@@H](C)N2C[C@@H]3CCC[C@]3(C[NH3+])C2)cc1C ZINC000652351517 431027802 /nfs/dbraw/zinc/02/78/02/431027802.db2.gz BZYLVDLXHDKTEB-GJYPPUQNSA-N 2 0 315.461 2.691 20 0 DFADRP c1cc(C[N@@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)c2c(c1)C[NH2+]CC2 ZINC000662273010 431028008 /nfs/dbraw/zinc/02/80/08/431028008.db2.gz JIXQEHZJPAIESW-WMZOPIPTSA-N 3 0 313.489 2.544 20 0 DFADRP CCc1ccccc1C[N@@H+]1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000652349215 431028649 /nfs/dbraw/zinc/02/86/49/431028649.db2.gz FYOLGGDLUDQBJI-GBESFXJTSA-N 2 0 302.462 2.967 20 0 DFADRP CN(c1nc(C[N@@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)cs1)C1CC1 ZINC000662274453 431029131 /nfs/dbraw/zinc/02/91/31/431029131.db2.gz UIKZJXBYHFTNRZ-UONOGXRCSA-N 2 0 320.506 2.563 20 0 DFADRP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCC[N@@H+]2CCCOc2ccccc2)C1 ZINC000652361753 431031865 /nfs/dbraw/zinc/03/18/65/431031865.db2.gz OOINDMQIWOSVHY-BHIYHBOVSA-N 2 0 318.461 2.816 20 0 DFADRP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCC[N@@H+]2Cc2c(F)cccc2F)C1 ZINC000652363717 431031905 /nfs/dbraw/zinc/03/19/05/431031905.db2.gz LVLSRJXQEKDJQB-DQYPLSBCSA-N 2 0 310.388 2.826 20 0 DFADRP CO[C@H](C[NH+]1CCC([C@@H]2C[C@H]([NH3+])CCO2)CC1)C1CCCCC1 ZINC000662280416 431032921 /nfs/dbraw/zinc/03/29/21/431032921.db2.gz DMEYTAGRAPHGQJ-CEXWTWQISA-N 2 0 324.509 2.800 20 0 DFADRP Fc1ccc(C2([NH2+]C[C@H]3CCC4(C[NH2+]C4)O3)CCCC2)c(F)c1 ZINC000662281745 431032943 /nfs/dbraw/zinc/03/29/43/431032943.db2.gz LPCOCMIPEORTCI-CQSZACIVSA-N 2 0 322.399 2.845 20 0 DFADRP CC[C@H](CC(F)F)C[NH+]1CCC([C@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000662281903 431033216 /nfs/dbraw/zinc/03/32/16/431033216.db2.gz MJSHDRIPLFCAJH-IVMMDQJWSA-N 2 0 304.425 2.886 20 0 DFADRP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCC[N@@H+]2CCCCC2CCOCC2)C1 ZINC000652363537 431033204 /nfs/dbraw/zinc/03/32/04/431033204.db2.gz HEWXYDHXTYJBSZ-QRVBRYPASA-N 2 0 324.509 2.944 20 0 DFADRP CO[C@H](C[N@@H+]1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1)c1ccccc1 ZINC000662286205 431034312 /nfs/dbraw/zinc/03/43/12/431034312.db2.gz POYUNBFUUTWTOR-CADBVGFASA-N 2 0 318.461 2.592 20 0 DFADRP Cc1cccc(C)c1[C@H]1CCC[N@@H+]1C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662294887 431034878 /nfs/dbraw/zinc/03/48/78/431034878.db2.gz GJZVCWAKAODJHR-IAGOWNOFSA-N 2 0 300.446 2.961 20 0 DFADRP COc1c(C)cnc(C[N@@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)c1C ZINC000662293789 431036006 /nfs/dbraw/zinc/03/60/06/431036006.db2.gz NVCUPOYPMNIZHD-KRWDZBQOSA-N 2 0 317.477 2.919 20 0 DFADRP Fc1ccccc1C[C@@H]1CCCC[N@@H+]1C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662286959 431036079 /nfs/dbraw/zinc/03/60/79/431036079.db2.gz VFQGQVMPMJZWAH-DLBZAZTESA-N 2 0 318.436 2.744 20 0 DFADRP CO[C@H](C[N@@H+]1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1)C1CCCCC1 ZINC000662286184 431036551 /nfs/dbraw/zinc/03/65/51/431036551.db2.gz PJQHGVBJIUVONS-WJFTUGDTSA-N 2 0 324.509 2.800 20 0 DFADRP FC(F)(F)COCCC[N@@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662297777 431037070 /nfs/dbraw/zinc/03/70/70/431037070.db2.gz RQODBPAQCPGQTQ-CQSZACIVSA-N 2 0 308.388 2.667 20 0 DFADRP c1cc(-c2noc(C[N@@H+]3CCC[C@H](C4CC[NH2+]CC4)C3)n2)co1 ZINC000662298649 431037195 /nfs/dbraw/zinc/03/71/95/431037195.db2.gz WNJQOZIFYNYKEF-AWEZNQCLSA-N 2 0 316.405 2.541 20 0 DFADRP CC(C)C[C@@H](C)N(C)C(=O)C[N@@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662297797 431039145 /nfs/dbraw/zinc/03/91/45/431039145.db2.gz RYJBCORMPWHXJW-AEFFLSMTSA-N 2 0 323.525 2.591 20 0 DFADRP C[C@@H]1CCCN(C(=O)C2C[C@H]3CCC[C@@H](C2)C3[NH3+])[C@@H]1CCC[NH3+] ZINC000659376838 431042673 /nfs/dbraw/zinc/04/26/73/431042673.db2.gz OVZSKFUXLXFTJA-IUTNDFCKSA-N 2 0 321.509 2.506 20 0 DFADRP C[C@@H]1CCC[N@H+](CC(=O)N(C)[C@@H]2CCCC[C@H]2C)[C@@H]1CCC[NH3+] ZINC000662313584 431043125 /nfs/dbraw/zinc/04/31/25/431043125.db2.gz IZZSBBIRSBHGKF-BRSBDYLESA-N 2 0 323.525 2.863 20 0 DFADRP C[C@@H]([NH3+])c1ccc(C(=O)N2CCC[C@@H](C)[C@H]2CCC[NH3+])cc1 ZINC000659375138 431043436 /nfs/dbraw/zinc/04/34/36/431043436.db2.gz GBWGAZIMOZRLQH-CKEIUWERSA-N 2 0 303.450 2.686 20 0 DFADRP C[C@@H]1CCC[N@H+](CC(=O)N(C)Cc2cccs2)[C@@H]1CCC[NH3+] ZINC000662316265 431044218 /nfs/dbraw/zinc/04/42/18/431044218.db2.gz VKHWCEYLVSIMOL-GDBMZVCRSA-N 2 0 323.506 2.546 20 0 DFADRP C[C@@H]1CCC[N@H+](CC(=O)Nc2ccc(Cl)cn2)[C@@H]1CCC[NH3+] ZINC000662313840 431044542 /nfs/dbraw/zinc/04/45/42/431044542.db2.gz NXJPEMBGANMOKH-TZMCWYRMSA-N 2 0 324.856 2.513 20 0 DFADRP C[C@@H]1CCC[N@H+](CC(=O)NCCC2CCCCC2)[C@@H]1CCC[NH3+] ZINC000662316590 431044818 /nfs/dbraw/zinc/04/48/18/431044818.db2.gz XENPQAYVXNUGDA-SJLPKXTDSA-N 2 0 323.525 2.912 20 0 DFADRP COc1ccc([C@@H](C[NH3+])C[NH+]2CCC(c3ccon3)CC2)cc1 ZINC000662314667 431045164 /nfs/dbraw/zinc/04/51/64/431045164.db2.gz AKGJHXDTFGINSH-INIZCTEOSA-N 2 0 315.417 2.605 20 0 DFADRP C[NH+](C)CCC[C@H]1C[N@H+](C[C@@H]2C[C@H]2c2ccccc2)CCO1 ZINC000662324856 431047985 /nfs/dbraw/zinc/04/79/85/431047985.db2.gz ZIGLXGSDYJAWQA-FHWLQOOXSA-N 2 0 302.462 2.833 20 0 DFADRP C[NH+](C)CCC[C@@H]1C[N@H+](C[C@H]2CCc3ccccc3C2)CCO1 ZINC000662325875 431048016 /nfs/dbraw/zinc/04/80/16/431048016.db2.gz RWYBDMRUTFLBCU-FXAWDEMLSA-N 2 0 316.489 2.834 20 0 DFADRP CC[NH+](CC)[C@H](CNC(=O)CCC(C)(C)[NH3+])c1ccsc1 ZINC000649292478 431057540 /nfs/dbraw/zinc/05/75/40/431057540.db2.gz JGIHPMMSLCSXAE-CQSZACIVSA-N 2 0 311.495 2.765 20 0 DFADRP CC(C)C[NH+]1CCC(NC(=O)[C@H]([NH3+])c2cccc(Cl)c2)CC1 ZINC000649284473 431057672 /nfs/dbraw/zinc/05/76/72/431057672.db2.gz AJJZKTAVKXNVKO-MRXNPFEDSA-N 2 0 323.868 2.576 20 0 DFADRP CC(C)[N@H+](C)Cc1ccccc1CNC(=O)[C@H]1CCC[C@@H]1C[NH3+] ZINC000649288740 431058309 /nfs/dbraw/zinc/05/83/09/431058309.db2.gz DCEUJDZYRDWUEZ-QAPCUYQASA-N 2 0 317.477 2.518 20 0 DFADRP C[C@@H]([NH2+]C1(CNC(=O)[C@H]2C[C@@H]([NH3+])C2)CCCC1)c1ccccc1 ZINC000649331774 431067697 /nfs/dbraw/zinc/06/76/97/431067697.db2.gz WADDCKDNAOCFSC-OIISXLGYSA-N 2 0 315.461 2.504 20 0 DFADRP CC[C@@H]([NH2+]C)C(=O)NCc1ccc(C[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000662389514 431068630 /nfs/dbraw/zinc/06/86/30/431068630.db2.gz YGLGJKUAPAISBB-MAUKXSAKSA-N 2 0 317.477 2.675 20 0 DFADRP C[NH2+]CC1CC[NH+](Cc2cc(-c3ccc(OC)cc3)no2)CC1 ZINC000662244684 431013092 /nfs/dbraw/zinc/01/30/92/431013092.db2.gz FKPJXHYMZLOIGP-UHFFFAOYSA-N 2 0 315.417 2.782 20 0 DFADRP CC[NH+](CC)Cc1cccc(NC(=O)[C@H]2C[C@]23CCC[NH2+]C3)c1 ZINC000655444646 431013174 /nfs/dbraw/zinc/01/31/74/431013174.db2.gz LTSVFRKICXAZMC-MJGOQNOKSA-N 2 0 315.461 2.857 20 0 DFADRP c1ccc(C[N@H+](CC2CCC2)C[C@@H]2CCC3(C[NH2+]C3)O2)cc1 ZINC000662254914 431015111 /nfs/dbraw/zinc/01/51/11/431015111.db2.gz UXKWJMBMEBJWQQ-SFHVURJKSA-N 2 0 300.446 2.810 20 0 DFADRP CCC[N@H+](C[C@@H]1CCC2(C[NH2+]C2)O1)[C@@H]1CCc2ccccc2C1 ZINC000662255107 431015838 /nfs/dbraw/zinc/01/58/38/431015838.db2.gz WPIHGTXSUADCFR-MOPGFXCFSA-N 2 0 314.473 2.777 20 0 DFADRP C[C@]1(c2ccccc2)CCC[N@H+](C[C@@H]2CCC3(C[NH2+]C3)O2)C1 ZINC000662254791 431016193 /nfs/dbraw/zinc/01/61/93/431016193.db2.gz MBKOSIXPNLELHV-ROUUACIJSA-N 2 0 300.446 2.561 20 0 DFADRP O=C(C[C@H]1[NH2+]Cc2ccccc21)Nc1cccc2c1CC[NH2+]C2 ZINC000659297026 431016393 /nfs/dbraw/zinc/01/63/93/431016393.db2.gz RKCQRSUXXODNRK-GOSISDBHSA-N 2 0 307.397 2.505 20 0 DFADRP CC(C)C[N@H+](CCc1ccccc1)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662251492 431016968 /nfs/dbraw/zinc/01/69/68/431016968.db2.gz FRAXMPMMXZUYTK-GOSISDBHSA-N 2 0 302.462 2.708 20 0 DFADRP C[C@@H]1CCC[N@H+](Cc2ccc(NC(=O)[C@@H]3[NH2+]CC3(C)C)cc2)C1 ZINC000645502744 431018168 /nfs/dbraw/zinc/01/81/68/431018168.db2.gz MJOJCHHPMYZOOJ-PBHICJAKSA-N 2 0 315.461 2.855 20 0 DFADRP c1cc(CN2CCC[N@@H+](C3CCCC3)CC2)c2c(c1)C[NH2+]CC2 ZINC000662259994 431018481 /nfs/dbraw/zinc/01/84/81/431018481.db2.gz FUGIRESTUZQCKX-UHFFFAOYSA-N 2 0 313.489 2.783 20 0 DFADRP CC(C)[NH+]1CCC(N(C)Cc2cccc3c2CC[NH2+]C3)CC1 ZINC000662260625 431018910 /nfs/dbraw/zinc/01/89/10/431018910.db2.gz NUOOEFVHPUGXOY-UHFFFAOYSA-N 2 0 301.478 2.637 20 0 DFADRP c1ccc(C[C@@H]2CCCC[N@H+]2C[C@H]2CCC3(C[NH2+]C3)O2)cc1 ZINC000662256158 431019477 /nfs/dbraw/zinc/01/94/77/431019477.db2.gz HJUHFLUKPSLOMF-ZWKOTPCHSA-N 2 0 300.446 2.605 20 0 DFADRP [NH3+]CCCN(CC1CCCC1)C(=O)C[C@H]1[NH2+]Cc2ccccc21 ZINC000662562187 431114889 /nfs/dbraw/zinc/11/48/89/431114889.db2.gz HCGFRUTWUKWESH-GOSISDBHSA-N 2 0 315.461 2.589 20 0 DFADRP C[C@H]([NH2+]C(C)(C)CNC(=O)c1ccc(C[NH3+])o1)c1ccccc1 ZINC000645927484 431115252 /nfs/dbraw/zinc/11/52/52/431115252.db2.gz OIIJMDDROWSCMF-ZDUSSCGKSA-N 2 0 315.417 2.598 20 0 DFADRP [NH3+]Cc1cccc(NC(=O)c2ccc3c(c2)[C@H](C[NH3+])CCC3)c1 ZINC000662393896 431071266 /nfs/dbraw/zinc/07/12/66/431071266.db2.gz YZXWGYUYEBDVTH-INIZCTEOSA-N 2 0 309.413 2.776 20 0 DFADRP C[C@H]([NH3+])c1ccc(NC(=O)c2cc3c(s2)CC[NH2+]C3)cc1 ZINC000662422950 431078134 /nfs/dbraw/zinc/07/81/34/431078134.db2.gz SFUKSHJBWVEFGG-JTQLQIEISA-N 2 0 301.415 2.666 20 0 DFADRP CC(C)N1CCCC[C@H]1C[N@H+](C)C[C@@H]1CCn2ccnc2C1 ZINC000649501359 431125366 /nfs/dbraw/zinc/12/53/66/431125366.db2.gz HHBQOTZUBCEEFS-SJORKVTESA-N 2 0 304.482 2.640 20 0 DFADRP CCC[NH+](CCC)CCCC(=O)N[C@@H]1CC[NH2+]C12CCCC2 ZINC000649373353 431080448 /nfs/dbraw/zinc/08/04/48/431080448.db2.gz WYNVHXPYXJKQOC-MRXNPFEDSA-N 2 0 309.498 2.680 20 0 DFADRP Cc1cncc(-c2nc(CN3CCC[C@@H](c4ncc[nH]4)C3)no2)c1 ZINC000649383019 431083699 /nfs/dbraw/zinc/08/36/99/431083699.db2.gz NVNBNIPDJITYNP-CYBMUJFWSA-N 2 0 324.388 2.543 20 0 DFADRP CC[C@H]1CCCC[N@@H+]1CCNC(=O)C[C@@H]1[NH2+]Cc2ccccc21 ZINC000662458462 431086585 /nfs/dbraw/zinc/08/65/85/431086585.db2.gz MKWZTHVWMWORHJ-WMZOPIPTSA-N 2 0 315.461 2.602 20 0 DFADRP CCN(C[C@@H]1CC[NH2+]C1)[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000649411856 431092600 /nfs/dbraw/zinc/09/26/00/431092600.db2.gz JYBXDDNGRYZOPN-YQVWRLOYSA-N 2 0 301.478 2.753 20 0 DFADRP Cc1cc(C)n(C[C@H]2CCCC[N@@H+]2CC[C@@H]2CCC[NH2+]C2)n1 ZINC000649413114 431093993 /nfs/dbraw/zinc/09/39/93/431093993.db2.gz LYEHHGLPXMTLMM-ZWKOTPCHSA-N 2 0 304.482 2.744 20 0 DFADRP c1ccc2c(c1)cccc2C[NH+]1CCN(C[C@H]2CC[NH2+]C2)CC1 ZINC000649411021 431094344 /nfs/dbraw/zinc/09/43/44/431094344.db2.gz DDXGTJKYKRAQDE-KRWDZBQOSA-N 2 0 309.457 2.567 20 0 DFADRP Cc1csc(N2CC[N@@H+](CCCC3CC[NH2+]CC3)C[C@@H]2C)n1 ZINC000649412590 431094461 /nfs/dbraw/zinc/09/44/61/431094461.db2.gz VAIPGFVXPJDJRP-HNNXBMFYSA-N 2 0 322.522 2.742 20 0 DFADRP C[NH+](C)[C@H](CNC(=O)C[C@H]1[NH2+]Cc2ccccc21)c1ccccc1 ZINC000662523166 431104872 /nfs/dbraw/zinc/10/48/72/431104872.db2.gz JKLILGIQWSNAFP-RTBURBONSA-N 2 0 323.440 2.640 20 0 DFADRP CC[NH+](CC)CCC[C@@H](C)NC(=O)c1cc2c(s1)CC[NH2+]C2 ZINC000662524715 431105504 /nfs/dbraw/zinc/10/55/04/431105504.db2.gz ZDNZBXAVGNEHJK-CYBMUJFWSA-N 2 0 323.506 2.634 20 0 DFADRP CC(C)N1CCCC[C@@H]1C[N@H+](C)C[C@H]1CCc2nccn2C1 ZINC000649460669 431108384 /nfs/dbraw/zinc/10/83/84/431108384.db2.gz KBLODHVTGIUNID-IAGOWNOFSA-N 2 0 304.482 2.640 20 0 DFADRP CC[N@H+](CCCNC(=O)[C@@H]1CCC[NH+]1C1CC1)C1CCCCC1 ZINC000652756867 431127334 /nfs/dbraw/zinc/12/73/34/431127334.db2.gz WXNWFQPMIOQXHQ-SFHVURJKSA-N 2 0 321.509 2.774 20 0 DFADRP CC[N@H+](C)C[C@H]1CCN(C(=O)[C@H]2CCCC[NH+]2C2CCCC2)C1 ZINC000373013127 279039471 /nfs/dbraw/zinc/03/94/71/279039471.db2.gz HQSVBMCDQKYUMT-SJLPKXTDSA-N 2 0 321.509 2.584 20 0 DFADRP CC[N@H+](C)[C@H](C(=O)NC[C@H](C)C[NH+]1CCCC1)c1ccccc1 ZINC000264027641 279045606 /nfs/dbraw/zinc/04/56/06/279045606.db2.gz LSHCNVCMXIFJGM-WMZOPIPTSA-N 2 0 317.477 2.528 20 0 DFADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1[NH2+]C[C@@H](c1ccc(F)cc1)N(C)C ZINC000124807651 288103091 /nfs/dbraw/zinc/10/30/91/288103091.db2.gz VAOZAMPYGWQFCR-NONVJHHQSA-N 2 0 307.457 2.747 20 0 DFADRP CC(C)C[C@H](CNC(=O)C[C@@H](C)[NH3+])[NH2+][C@@H](C)c1ccccc1 ZINC000645964431 431131584 /nfs/dbraw/zinc/13/15/84/431131584.db2.gz QPPKMPKWGBKFSV-HLLBOEOZSA-N 2 0 305.466 2.605 20 0 DFADRP CC[NH+](CC)[C@@H](C(=O)N1CC[N@H+](C)CC[C@@H]1C)c1ccccc1 ZINC000354010708 279140532 /nfs/dbraw/zinc/14/05/32/279140532.db2.gz YAPLNFIWGBTRAU-FUHWJXTLSA-N 2 0 317.477 2.622 20 0 DFADRP CC[NH+](CC)[C@@H](C(=O)N1CCC[C@@H]([NH+](C)C)C1)c1ccccc1 ZINC000358557593 279140633 /nfs/dbraw/zinc/14/06/33/279140633.db2.gz FFZJREOURMLOJH-QZTJIDSGSA-N 2 0 317.477 2.622 20 0 DFADRP CC[NH+](CC)[C@H](CNC(=O)C1([NH3+])CCCCC1)c1ccsc1 ZINC000236874007 279161806 /nfs/dbraw/zinc/16/18/06/279161806.db2.gz NMBMUFLIAPSXEW-OAHLLOKOSA-N 2 0 323.506 2.909 20 0 DFADRP CC(C)(C)[N@@H+]1CC[C@@H](NC(=O)C(C)(C)[C@@H]([NH3+])c2ccccc2)C1 ZINC000662622165 431137522 /nfs/dbraw/zinc/13/75/22/431137522.db2.gz PULMNXGDRJAWLY-CVEARBPZSA-N 2 0 317.477 2.702 20 0 DFADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N1CCC[C@@H]([NH+]2[C@H](C)CC[C@@H]2C)C1 ZINC000354812198 279263785 /nfs/dbraw/zinc/26/37/85/279263785.db2.gz NNIMLGNGQPYZGJ-XMTFNYHQSA-N 2 0 321.509 2.725 20 0 DFADRP CC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@@H](c1ccc(C)cc1)[NH+](C)C ZINC000354266420 279266903 /nfs/dbraw/zinc/26/69/03/279266903.db2.gz NMDURNVAMONPIO-MSOLQXFVSA-N 2 0 317.477 2.588 20 0 DFADRP CC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CC[NH+](C2CCCCC2)C1 ZINC000361527787 279274242 /nfs/dbraw/zinc/27/42/42/279274242.db2.gz SXNDEHUGSYKCEX-FUHWJXTLSA-N 2 0 321.509 2.632 20 0 DFADRP C[C@H](C[NH+]1CCCCCC1)NC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC000359332253 279305259 /nfs/dbraw/zinc/30/52/59/279305259.db2.gz REDHRYVQIQTCDT-AEFFLSMTSA-N 2 0 321.509 2.774 20 0 DFADRP C[C@H](C[NH2+][C@H]1CC[C@@H](C)c2ccccc21)N1CC[NH+](C)CC1 ZINC000127674762 279353266 /nfs/dbraw/zinc/35/32/66/279353266.db2.gz BQTCSMNLZTUJQW-MDZRGWNJSA-N 2 0 301.478 2.851 20 0 DFADRP CC(C)[N@H+](C)Cc1ccccc1CNC(=O)[C@]1(C)CCC[NH2+]C1 ZINC000236656515 279384746 /nfs/dbraw/zinc/38/47/46/279384746.db2.gz CGIOLFUFIFMQAR-LJQANCHMSA-N 2 0 317.477 2.533 20 0 DFADRP C[C@@H]1C[C@@H](C)C[NH+](CCN2CCC([NH+]3CCCCC3)CC2)C1 ZINC000659845821 431141583 /nfs/dbraw/zinc/14/15/83/431141583.db2.gz LTJNGJNCDPYGLN-QZTJIDSGSA-N 2 0 307.526 2.915 20 0 DFADRP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CC[NH+](C[C@@H]2CC[C@H]3C[C@H]3C2)CC1 ZINC000659867216 431162491 /nfs/dbraw/zinc/16/24/91/431162491.db2.gz VJZMUILVMRFFNR-UJMXGEILSA-N 2 0 319.537 2.913 20 0 DFADRP [NH3+]C1(CC(=O)NCc2ccc(C[NH+]3CCCCCC3)cc2)CC1 ZINC000662697992 431163807 /nfs/dbraw/zinc/16/38/07/431163807.db2.gz GCUVEZJLFYHRKK-UHFFFAOYSA-N 2 0 315.461 2.560 20 0 DFADRP C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)C2([NH3+])CC3(CCC3)C2)C1 ZINC000662695969 431163873 /nfs/dbraw/zinc/16/38/73/431163873.db2.gz RNXCZRBZORDBMX-GASCZTMLSA-N 2 0 321.509 2.521 20 0 DFADRP C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)CC[C@H]([NH3+])c1ccccc1 ZINC000662691810 431164554 /nfs/dbraw/zinc/16/45/54/431164554.db2.gz AUUYOFHUHWOXHI-WMZOPIPTSA-N 2 0 317.477 2.703 20 0 DFADRP C[C@H](C[NH+]1CCC(C)CC1)NC(=O)CC[C@@H]([NH3+])c1ccccc1 ZINC000662691807 431165150 /nfs/dbraw/zinc/16/51/50/431165150.db2.gz AUUYOFHUHWOXHI-SJLPKXTDSA-N 2 0 317.477 2.703 20 0 DFADRP CC1(C)CC[NH2+][C@@H]1C(=O)Nc1ccc(CC[NH+]2CCCC2)cc1 ZINC000662692736 431165918 /nfs/dbraw/zinc/16/59/18/431165918.db2.gz GGYRPPMOSSPYEH-QGZVFWFLSA-N 2 0 315.461 2.652 20 0 DFADRP C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)C2([NH2+]C3CC3)CCC2)C1 ZINC000662695307 431166143 /nfs/dbraw/zinc/16/61/43/431166143.db2.gz JMQWDJOTMJHOBS-GASCZTMLSA-N 2 0 321.509 2.534 20 0 DFADRP CC(C)CNC(=O)CCC[NH+]1CCC(C[N@H+](C)C(C)C)CC1 ZINC000659878378 431170375 /nfs/dbraw/zinc/17/03/75/431170375.db2.gz ZFZPGGIJNPATDY-UHFFFAOYSA-N 2 0 311.514 2.591 20 0 DFADRP CC(C)[C@H]([NH3+])CC(=O)NC[C@@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000646071433 431170624 /nfs/dbraw/zinc/17/06/24/431170624.db2.gz HQBHNMSNWYXUNT-JJRVBVJISA-N 2 0 323.506 2.621 20 0 DFADRP CO[C@H](C[N@@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1)[C@H]1CCOC1 ZINC000659878779 431171038 /nfs/dbraw/zinc/17/10/38/431171038.db2.gz QPDWLUBDTLOHJI-CEXWTWQISA-N 2 0 324.509 2.626 20 0 DFADRP Cc1ccc(C[NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)c(-c2ccnn2C)c1 ZINC000655824145 431171812 /nfs/dbraw/zinc/17/18/12/431171812.db2.gz GLHAYGLZTOJGDE-WOVMCDHWSA-N 2 0 312.461 2.825 20 0 DFADRP Cc1cc[nH+]c(NC[C@@H]2CC[N@H+](CCO[C@H]3CC3(F)F)C2)c1 ZINC000659906750 431183794 /nfs/dbraw/zinc/18/37/94/431183794.db2.gz PGJIEYTVKVZAIJ-KBPBESRZSA-N 2 0 311.376 2.548 20 0 DFADRP C[NH+]1CCC2(CC1)C[N@@H+]([C@H]1CCCc3ccccc31)CCO2 ZINC000646104383 431187995 /nfs/dbraw/zinc/18/79/95/431187995.db2.gz LPQMDOBDNCBNBN-SFHVURJKSA-N 2 0 300.446 2.861 20 0 DFADRP C[NH+]1CCC2(CC1)C[N@H+](CCc1ccc(Cl)cc1)CCO2 ZINC000646106949 431193301 /nfs/dbraw/zinc/19/33/01/431193301.db2.gz ZHLNVJKPJXWMJQ-UHFFFAOYSA-N 2 0 308.853 2.679 20 0 DFADRP C[C@@H]1CC[C@H](C)[N@H+]1[C@H]1CCCN(C(=O)C2([NH3+])CC3(CCC3)C2)C1 ZINC000662788616 431195334 /nfs/dbraw/zinc/19/53/34/431195334.db2.gz PDBBXZINXNPYAW-XHSDSOJGSA-N 2 0 319.493 2.512 20 0 DFADRP Cn1cc([C@@H]([NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)c2cccc(F)c2)cn1 ZINC000655804788 431155573 /nfs/dbraw/zinc/15/55/73/431155573.db2.gz BMKBSHDCVZISPF-VHSSKADRSA-N 2 0 316.424 2.578 20 0 DFADRP CC(C)C[C@H](C[NH3+])CC(=O)N[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000662667458 431155618 /nfs/dbraw/zinc/15/56/18/431155618.db2.gz BCUVXVHRKFJIJA-HOTGVXAUSA-N 2 0 309.498 2.521 20 0 DFADRP CC[NH+](CC)Cc1ccccc1CNC(=O)[C@H]1[NH2+]CCC1(C)C ZINC000662669029 431155930 /nfs/dbraw/zinc/15/59/30/431155930.db2.gz NASFUNQOKSBNMH-QGZVFWFLSA-N 2 0 317.477 2.533 20 0 DFADRP C[C@@H]1CCC[C@@H]([NH+]2CCC([NH2+]C[C@H]3C[C@@H]([NH+](C)C)C3)CC2)C1 ZINC000655806299 431157564 /nfs/dbraw/zinc/15/75/64/431157564.db2.gz UPERZCQLRZHOPF-RWQQGDIJSA-N 3 0 307.526 2.959 20 0 DFADRP C[C@@H]([NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1)c1ccc2c(c1)OCCCO2 ZINC000655806539 431157865 /nfs/dbraw/zinc/15/78/65/431157865.db2.gz YCOQMDRCJXLVMK-FMKPAKJESA-N 2 0 304.434 2.839 20 0 DFADRP CC[NH+](CC)[C@H](CNC(=O)C1([NH2+]C2CC2)CCC1)CC(C)C ZINC000662674152 431159217 /nfs/dbraw/zinc/15/92/17/431159217.db2.gz WQFRPFJHQCTDMU-INIZCTEOSA-N 2 0 309.498 2.534 20 0 DFADRP CC(C)[N@H+](C)Cc1ccccc1CNC(=O)[C@@H]1[NH2+]CCC1(C)C ZINC000662676178 431159529 /nfs/dbraw/zinc/15/95/29/431159529.db2.gz SRSVBHGPRGGEEE-KRWDZBQOSA-N 2 0 317.477 2.531 20 0 DFADRP [NH3+][C@H]1C[C@H](C(=O)Nc2ccc(SCC[NH+]3CCCC3)cc2)C1 ZINC000662831500 431207905 /nfs/dbraw/zinc/20/79/05/431207905.db2.gz RJCAIGVQJAYGLZ-HDJSIYSDSA-N 2 0 319.474 2.550 20 0 DFADRP CC(C)[N@H+](C)C[C@H](O)C[NH+]1CC[C@H](Cc2ccccc2)[C@@H]1C ZINC000659980829 431220883 /nfs/dbraw/zinc/22/08/83/431220883.db2.gz ZQYAZEDRTCLRCY-UHOSZYNNSA-N 2 0 304.478 2.641 20 0 DFADRP C[C@@H]1C[C@@H](C)C[NH+](CCN2CC[C@@H](C[N@H+](C)CC3CC3)C2)C1 ZINC000659978045 431221367 /nfs/dbraw/zinc/22/13/67/431221367.db2.gz KPNYWIPBDKZFRB-LMMKCTJWSA-N 2 0 307.526 2.628 20 0 DFADRP CCC(C)(C)[NH+]1CCN(C[C@H](C[NH3+])c2ccc(OC)cc2)CC1 ZINC000655945945 431225728 /nfs/dbraw/zinc/22/57/28/431225728.db2.gz IEUWMEYGCFEJLC-KRWDZBQOSA-N 2 0 319.493 2.544 20 0 DFADRP Cc1ccc(C[N@@H+]2C[C@H](C[NH3+])C3(C2)CCOCC3)c(Cl)c1 ZINC000655940590 431226277 /nfs/dbraw/zinc/22/62/77/431226277.db2.gz CZZMCXBNPIGORL-HNNXBMFYSA-N 2 0 308.853 2.836 20 0 DFADRP CCC[NH+]1CCC([NH2+]C2(CO)C3CC4CC(C3)CC2C4)CC1 ZINC000666441862 431232398 /nfs/dbraw/zinc/23/23/98/431232398.db2.gz KDJFMEDAALXCGA-UHFFFAOYSA-N 2 0 306.494 2.638 20 0 DFADRP C[NH+](C)CCOc1ccc(C[N@@H+]2CC[C@H](O)C23CCCC3)cc1 ZINC000646229206 431234058 /nfs/dbraw/zinc/23/40/58/431234058.db2.gz LOSHEYWJKFTHIP-SFHVURJKSA-N 2 0 318.461 2.506 20 0 DFADRP C[N@@H+]1CCC[C@]2(CC[NH+](C[C@H]3CCOc4ccccc43)C2)C1 ZINC000646243263 431236320 /nfs/dbraw/zinc/23/63/20/431236320.db2.gz SDEBCTFGYNIXIW-APWZRJJASA-N 2 0 300.446 2.970 20 0 DFADRP C[C@H]([NH3+])c1ccc(C(=O)NCC2CC[NH+](CC3CC3)CC2)cc1 ZINC000662972349 431246397 /nfs/dbraw/zinc/24/63/97/431246397.db2.gz OPZITURLEIXLEP-AWEZNQCLSA-N 2 0 315.461 2.558 20 0 DFADRP C[NH+](C)CC[C@H](N)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000653057042 431247100 /nfs/dbraw/zinc/24/71/00/431247100.db2.gz LGRMGZYHEOBJSH-NSHDSACASA-N 2 0 323.746 2.576 20 0 DFADRP CC(C)[C@H](C(=O)Nc1ccc(OCCC[NH+](C)C)cc1)[C@H](C)[NH3+] ZINC000646279073 431249904 /nfs/dbraw/zinc/24/99/04/431249904.db2.gz WHAYRZCKLQXISS-YOEHRIQHSA-N 2 0 321.465 2.575 20 0 DFADRP C[C@@H]([NH3+])c1ccc(C(=O)NC[C@@H]2CCC[N@H+](CC3CC3)C2)cc1 ZINC000663005855 431253977 /nfs/dbraw/zinc/25/39/77/431253977.db2.gz YPEOAVWGOQCDEC-ZBFHGGJFSA-N 2 0 315.461 2.558 20 0 DFADRP CO[C@H](C[NH+]1CCC(CCC[NH+]2CCCC2)CC1)[C@H]1CCOC1 ZINC000660122337 431281461 /nfs/dbraw/zinc/28/14/61/431281461.db2.gz USLFRZNUCLYCSQ-RBUKOAKNSA-N 2 0 324.509 2.626 20 0 DFADRP CO[C@@H](C[NH+]1CCC(CCC[NH+]2CCCC2)CC1)[C@@H]1CCOC1 ZINC000660122335 431281931 /nfs/dbraw/zinc/28/19/31/431281931.db2.gz USLFRZNUCLYCSQ-MOPGFXCFSA-N 2 0 324.509 2.626 20 0 DFADRP C[N@H+](C[C@@H](O)CN1CCCC[C@H]1Cc1ccccc1F)C1CC1 ZINC000649794134 431295318 /nfs/dbraw/zinc/29/53/18/431295318.db2.gz AVFFGQMPVDRMKW-ZWKOTPCHSA-N 2 0 320.452 2.678 20 0 DFADRP Cc1ccccc1CN1CCC[N@@H+](C[C@H]2CC[NH2+][C@H](C)C2)CC1 ZINC000666619069 431299480 /nfs/dbraw/zinc/29/94/80/431299480.db2.gz UMVGHZXBOPZPNO-MOPGFXCFSA-N 2 0 315.505 2.891 20 0 DFADRP CC(C)[C@@H]([NH3+])CC(=O)N[C@@H](C[NH+]1CCCCC1)c1ccccc1 ZINC000646409857 431299976 /nfs/dbraw/zinc/29/99/76/431299976.db2.gz BIYDOPULDBPAQA-ROUUACIJSA-N 2 0 317.477 2.703 20 0 DFADRP [NH3+][C@@H]1CCC[C@H]([NH2+]Cc2cccc(NC(=O)c3ccncc3)c2)C1 ZINC000656193220 431302799 /nfs/dbraw/zinc/30/27/99/431302799.db2.gz ZIOAIWAUXUNQSA-SJORKVTESA-N 2 0 324.428 2.693 20 0 DFADRP CC[N@H+](CCCNC(=O)[C@]1(CC)CCC[NH2+]1)C1CCCCC1 ZINC000653200871 431306470 /nfs/dbraw/zinc/30/64/70/431306470.db2.gz SFTRZPCEVBVSSM-SFHVURJKSA-N 2 0 309.498 2.680 20 0 DFADRP CC[N@H+](CCCNC(=O)[C@@H]1CCC[NH2+][C@H]1C)C1CCCCC1 ZINC000653200760 431306929 /nfs/dbraw/zinc/30/69/29/431306929.db2.gz PBJUMCMHBWQJLH-DOTOQJQBSA-N 2 0 309.498 2.535 20 0 DFADRP CC[NH+](CC)Cc1ccc(C(=O)N2CC[C@H]([NH+](C)C)[C@H]2C)cc1 ZINC000646486032 431325298 /nfs/dbraw/zinc/32/52/98/431325298.db2.gz ZWSZPRKWORRHJE-QAPCUYQASA-N 2 0 317.477 2.693 20 0 DFADRP Cc1cc(NC2CC[NH+]([C@@H]3CCOC3)CC2)ccc1C[NH+](C)C ZINC000656263680 431341654 /nfs/dbraw/zinc/34/16/54/431341654.db2.gz MEGRFNPFTWYZIO-LJQANCHMSA-N 2 0 317.477 2.722 20 0 DFADRP [NH3+][C@H](CCC(=O)NCCC1CC[NH2+]CC1)CC1CCCCC1 ZINC000653273094 431343853 /nfs/dbraw/zinc/34/38/53/431343853.db2.gz OKELABOWTROKKB-QGZVFWFLSA-N 2 0 309.498 2.570 20 0 DFADRP Cc1cccc(NC(=O)C[C@H](C)NC[C@@H]2CCCC[NH2+]2)c1C ZINC000666770397 431349961 /nfs/dbraw/zinc/34/99/61/431349961.db2.gz YLGNIQONHQTSFG-HOCLYGCPSA-N 2 0 303.450 2.752 20 0 DFADRP C[C@H]1C[C@@H]([NH3+])CCN1Cc1cnn(Cc2ccccc2Cl)c1 ZINC000653279479 431350003 /nfs/dbraw/zinc/35/00/03/431350003.db2.gz HAWUBHVPHRRRDA-BBRMVZONSA-N 2 0 318.852 2.896 20 0 DFADRP c1c2ccccc2[nH]c1C[N@@H+]1CCC[C@@H](N2CCOCC2)CC1 ZINC000656281432 431356275 /nfs/dbraw/zinc/35/62/75/431356275.db2.gz XVVFWRVIEYUOIK-GOSISDBHSA-N 2 0 313.445 2.855 20 0 DFADRP Clc1ccc(-c2n[nH]cc2C[NH2+]CC[C@H]2CC[NH2+]C2)cc1 ZINC000666787388 431358577 /nfs/dbraw/zinc/35/85/77/431358577.db2.gz SWCBVXRRNAGZCE-GFCCVEGCSA-N 2 0 304.825 2.819 20 0 DFADRP FC1(F)C[C@@]12CC[NH+](CCC[N@H+]1CC[C@]3(CC3(F)F)C1)C2 ZINC000649907175 431361183 /nfs/dbraw/zinc/36/11/83/431361183.db2.gz KQOSQEDPMICMGC-BETUJISGSA-N 2 0 306.347 2.839 20 0 DFADRP CC[NH+](CC)Cc1cccc(NC(=O)C[N@@H+]2CC[C@@H](C)C2)c1 ZINC000646653341 431362428 /nfs/dbraw/zinc/36/24/28/431362428.db2.gz AGVDYVLLNSDPAL-OAHLLOKOSA-N 2 0 303.450 2.809 20 0 DFADRP C[NH+](C)CCOc1ccc(CN[C@@H](C[NH3+])C2CCCCC2)cc1 ZINC000666801074 431364220 /nfs/dbraw/zinc/36/42/20/431364220.db2.gz AOAJYBPQOARUIN-IBGZPJMESA-N 2 0 319.493 2.624 20 0 DFADRP COc1cccc(-c2n[nH]cc2C[NH2+][C@@H](C)CCCC[NH3+])c1 ZINC000666938005 431414693 /nfs/dbraw/zinc/41/46/93/431414693.db2.gz NLZDYNZWTGCBKZ-ZDUSSCGKSA-N 2 0 302.422 2.692 20 0 DFADRP Fc1ccc(Br)cc1C[NH2+][C@@H]1CC12CC[NH2+]CC2 ZINC000666950892 431418772 /nfs/dbraw/zinc/41/87/72/431418772.db2.gz PDHQFPICGOCUPW-CYBMUJFWSA-N 2 0 313.214 2.820 20 0 DFADRP CCOc1cc(C[NH2+][C@@H]2CC23CC[NH2+]CC3)cc(Cl)c1OC ZINC000666950899 431419486 /nfs/dbraw/zinc/41/94/86/431419486.db2.gz PRWOVYBVKJOIJL-OAHLLOKOSA-N 2 0 324.852 2.979 20 0 DFADRP COc1cc(C[NH2+][C@H]2CC23CC[NH2+]CC3)ccc1OC(F)F ZINC000666950707 431419709 /nfs/dbraw/zinc/41/97/09/431419709.db2.gz BSKZNRSYHFSLRT-AWEZNQCLSA-N 2 0 312.360 2.528 20 0 DFADRP FC(F)(F)COc1ccccc1C[NH2+][C@H]1CC12CC[NH2+]CC2 ZINC000666951962 431420218 /nfs/dbraw/zinc/42/02/18/431420218.db2.gz ADIAPXROZUTXJQ-AWEZNQCLSA-N 2 0 314.351 2.859 20 0 DFADRP C[N@H+](Cc1ccccc1)CC(C)(C)C[NH2+][C@@H]1CC12CC[NH2+]CC2 ZINC000666952132 431422397 /nfs/dbraw/zinc/42/23/97/431422397.db2.gz HHFOTQGOCHDXJH-GOSISDBHSA-N 3 0 315.505 2.876 20 0 DFADRP COc1ccc(C[NH2+][C@H]2CC23CC[NH2+]CC3)c(OC(F)F)c1 ZINC000666952480 431422723 /nfs/dbraw/zinc/42/27/23/431422723.db2.gz YIPYWPAUBZNSPY-AWEZNQCLSA-N 2 0 312.360 2.528 20 0 DFADRP C[C@@H]1C[NH+](CCCC[NH2+][C@@H]2[C@@H]3CCCO[C@H]3C2(C)C)C[C@@H](C)O1 ZINC000245902529 288161132 /nfs/dbraw/zinc/16/11/32/288161132.db2.gz OBAZCYPDKLYCOL-UYTYNIKBSA-N 2 0 324.509 2.669 20 0 DFADRP Fc1cccc(F)c1-c1n[nH]cc1C[NH2+][C@H]1CCC[NH2+]CC1 ZINC000666856610 431385995 /nfs/dbraw/zinc/38/59/95/431385995.db2.gz UBRRPPGEEGPVCA-LBPRGKRZSA-N 2 0 306.360 2.587 20 0 DFADRP Fc1cccc(F)c1-c1n[nH]cc1C[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000666856609 431386211 /nfs/dbraw/zinc/38/62/11/431386211.db2.gz UBRRPPGEEGPVCA-GFCCVEGCSA-N 2 0 306.360 2.587 20 0 DFADRP CC[NH+](CC)Cc1ccc(C(=O)N(C)CC[C@@H]([NH3+])C(C)C)o1 ZINC000646824714 431400939 /nfs/dbraw/zinc/40/09/39/431400939.db2.gz QCBBRRVJFRQQOU-OAHLLOKOSA-N 2 0 309.454 2.567 20 0 DFADRP C[NH+]1CCC(N2CC[C@@H]([NH2+]C[C@@H]3C[C@H]3c3ccccc3)C2)CC1 ZINC000656499147 431411413 /nfs/dbraw/zinc/41/14/13/431411413.db2.gz UAJVCSAMOWHPOQ-NSHGMRRFSA-N 2 0 313.489 2.548 20 0 DFADRP C[NH+](C)CCc1ccc(-c2cncc([C@@H]3OCC[C@H]3[NH3+])c2)cc1 ZINC000653510697 431411515 /nfs/dbraw/zinc/41/15/15/431411515.db2.gz JKKJIKQXEHDURK-MOPGFXCFSA-N 2 0 311.429 2.641 20 0 DFADRP CC[N@H+](C)C[C@H](O)C[NH+]1CCC[C@@H](c2cc3ccccc3[nH]2)C1 ZINC000653573734 431440854 /nfs/dbraw/zinc/44/08/54/431440854.db2.gz LGSMODJNISIBBL-SJORKVTESA-N 2 0 315.461 2.660 20 0 DFADRP C[C@@H]1C[NH2+]CC[C@H]1CN1CC[NH2+]C[C@@H]1c1cccc(Cl)c1 ZINC000663493819 431442963 /nfs/dbraw/zinc/44/29/63/431442963.db2.gz KKPXUWQKYQVNFI-UKPHBRMFSA-N 2 0 307.869 2.532 20 0 DFADRP CC[C@@H]1CN(C(=O)CC[C@H]([NH3+])CC2CCCCC2)CC[C@H]1[NH3+] ZINC000647005865 431443937 /nfs/dbraw/zinc/44/39/37/431443937.db2.gz HIDZJCPSIVLBGM-IXDOHACOSA-N 2 0 309.498 2.650 20 0 DFADRP C[NH2+]CCCC(=O)N1CCC([NH2+][C@H]2C[C@@H](C)CC(C)(C)C2)CC1 ZINC000663505826 431447917 /nfs/dbraw/zinc/44/79/17/431447917.db2.gz MYIZHPNUDRUBED-WBVHZDCISA-N 2 0 323.525 2.781 20 0 DFADRP C[C@H]([NH2+]CCCc1cncn1C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000653614041 431458862 /nfs/dbraw/zinc/45/88/62/431458862.db2.gz LKKGGVJGPKWZSL-HOTGVXAUSA-N 3 0 304.482 2.595 20 0 DFADRP CC(C)[C@@H](C[NH3+])C(=O)NCC1([NH+]2CCCCC2)CCCCC1 ZINC000236675466 279835505 /nfs/dbraw/zinc/83/55/05/279835505.db2.gz JKARUVSLTCTGMC-MRXNPFEDSA-N 2 0 309.498 2.522 20 0 DFADRP CCc1cnccc1NC(=O)[C@H](c1ccc(Cl)cc1)N(C)C ZINC000653640652 431471246 /nfs/dbraw/zinc/47/12/46/431471246.db2.gz XDWDXLOYBUVIKA-INIZCTEOSA-N 2 0 317.820 2.961 20 0 DFADRP c1ccc(-c2nc([C@H]3CCC[NH2+]3)no2)c(CC2CC[NH2+]CC2)c1 ZINC000647147883 431479734 /nfs/dbraw/zinc/47/97/34/431479734.db2.gz AOJWIOMSHPKIAS-MRXNPFEDSA-N 2 0 312.417 2.703 20 0 DFADRP CCO[C@@H]1C[C@H]([NH2+]C2CC[NH+]([C@@H]3CCCC[C@H]3C)CC2)[C@@H]1OC ZINC000361170255 279865836 /nfs/dbraw/zinc/86/58/36/279865836.db2.gz YCUADSVLDPLHBY-QTUASDBPSA-N 2 0 324.509 2.812 20 0 DFADRP Clc1cscc1C[NH2+]C1CCC(N2CC[NH2+]CC2)CC1 ZINC000666978515 431430657 /nfs/dbraw/zinc/43/06/57/431430657.db2.gz KHQIOJUFVHPFLK-UHFFFAOYSA-N 2 0 313.898 2.708 20 0 DFADRP [NH3+]C[C@@H]1CCCc2ccc(-c3nc(C4([NH3+])CCCC4)no3)cc21 ZINC000656561423 431430804 /nfs/dbraw/zinc/43/08/04/431430804.db2.gz VFIFTNNYOXMGIJ-AWEZNQCLSA-N 2 0 312.417 2.843 20 0 DFADRP CC(=O)Nc1ccc(C[NH+]2CCC([C@@H]3CCC[NH2+]C3)CC2)cc1 ZINC000656783809 431519792 /nfs/dbraw/zinc/51/97/92/431519792.db2.gz ACNQNPLDCVRQLR-GOSISDBHSA-N 2 0 315.461 2.857 20 0 DFADRP C[C@@]1(C[NH2+]C[C@@H]2CCN(c3ccccc3Cl)C2)CC[NH2+]C1 ZINC000656787344 431522396 /nfs/dbraw/zinc/52/23/96/431522396.db2.gz HURXSIZGRJVBAF-WMLDXEAASA-N 2 0 307.869 2.756 20 0 DFADRP C[C@]1(C[NH2+]C[C@H]2CCN(c3ccccc3Cl)C2)CC[NH2+]C1 ZINC000656787342 431522642 /nfs/dbraw/zinc/52/26/42/431522642.db2.gz HURXSIZGRJVBAF-PBHICJAKSA-N 2 0 307.869 2.756 20 0 DFADRP C[C@H]([NH2+]C[C@@H]1CCN(c2ccccc2Cl)C1)[C@@H]1CC[NH2+]C1 ZINC000656787595 431523202 /nfs/dbraw/zinc/52/32/02/431523202.db2.gz OJZZRGBSALXRME-SOUVJXGZSA-N 2 0 307.869 2.754 20 0 DFADRP CCn1nc(C)c(C[N@@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)c1C ZINC000656785976 431523914 /nfs/dbraw/zinc/52/39/14/431523914.db2.gz ORSIQAFNNJGNBA-KRWDZBQOSA-N 2 0 304.482 2.731 20 0 DFADRP c1cc([C@@H]2C[NH2+]CCO2)ccc1N[C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000656793233 431524692 /nfs/dbraw/zinc/52/46/92/431524692.db2.gz RKPLZODTQYPELF-HCXYKTFWSA-N 2 0 315.461 2.680 20 0 DFADRP Cc1cccc(NC(=O)C[C@H](C)[NH2+]CC2([NH3+])CCCC2)c1C ZINC000656789792 431525002 /nfs/dbraw/zinc/52/50/02/431525002.db2.gz YSIXMLCHFZQYJW-AWEZNQCLSA-N 2 0 303.450 2.882 20 0 DFADRP Cc1ccc(NC(=O)C[C@H](C)[NH2+]CC2([NH3+])CCCC2)c(C)c1 ZINC000656789678 431526268 /nfs/dbraw/zinc/52/62/68/431526268.db2.gz VEWTYNCHVLTIHU-HNNXBMFYSA-N 2 0 303.450 2.882 20 0 DFADRP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2C[N@H+](C)C[C@H]2c2ccccc2)C[C@H](C)O1 ZINC000647249388 431527478 /nfs/dbraw/zinc/52/74/78/431527478.db2.gz WXIGCEOQLPSQOB-CGHHPOIWSA-N 2 0 302.462 2.877 20 0 DFADRP C[N@@H+]1C[C@@H](CN[C@@H]2CC[NH+]3CCC[C@H]3C2)[C@H](c2ccccc2)C1 ZINC000647249222 431527825 /nfs/dbraw/zinc/52/78/25/431527825.db2.gz KMXNSCREUASMHC-ZRNYENFQSA-N 2 0 313.489 2.548 20 0 DFADRP C[N@@H+]1C[C@@H](C[NH2+]Cc2ccc3[nH]cnc3c2)[C@H](c2ccccc2)C1 ZINC000647248917 431529597 /nfs/dbraw/zinc/52/95/97/431529597.db2.gz OXMXJGJJLYEADV-MSOLQXFVSA-N 2 0 320.440 2.998 20 0 DFADRP CC[NH+](CC)CCOc1ccccc1C[NH2+][C@@H]1CO[C@@H](C)C1 ZINC000647171913 431491957 /nfs/dbraw/zinc/49/19/57/431491957.db2.gz AEFXEXMWNSBCTM-RDJZCZTQSA-N 2 0 306.450 2.674 20 0 DFADRP CSc1cccc(C[N@H+](C)CCCN(C)CC[NH+](C)C)c1 ZINC000660561155 431493077 /nfs/dbraw/zinc/49/30/77/431493077.db2.gz QGRSJGYMQQSHST-UHFFFAOYSA-N 2 0 309.523 2.724 20 0 DFADRP C[C@@H]1C[C@H]([NH2+]C2[C@H](C)C[NH+](Cc3ccccc3)C[C@H]2C)CO1 ZINC000647192732 431504991 /nfs/dbraw/zinc/50/49/91/431504991.db2.gz VSUGRVXDYQJPIM-KONPQCLYSA-N 2 0 302.462 2.910 20 0 DFADRP C[C@@H]([NH2+][C@@H]1CCO[C@@H](c2cccnc2)C1)C1CC[NH+](C)CC1 ZINC000647339393 431556639 /nfs/dbraw/zinc/55/66/39/431556639.db2.gz QWTXAJZXBIKGBA-ZTFGCOKTSA-N 2 0 303.450 2.622 20 0 DFADRP C[C@H]([NH2+]C[C@@H]1C[N@H+](C)C[C@H]1c1ccccc1)C1CC[NH+](C)CC1 ZINC000647344071 431559800 /nfs/dbraw/zinc/55/98/00/431559800.db2.gz INIVPYLNZLJHGW-DBVUQKKJSA-N 3 0 315.505 2.652 20 0 DFADRP C[C@H](c1ccccc1)[C@@H](O)C[N@@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC000660661311 431535795 /nfs/dbraw/zinc/53/57/95/431535795.db2.gz CFKZDEFYOGGNJG-NZSAHSFTSA-N 2 0 302.462 2.569 20 0 DFADRP CC(C)C[C@@H]([NH2+]CCCC[N@@H+]1CCC[C@H]1CO)c1ccncc1 ZINC000647288454 431538589 /nfs/dbraw/zinc/53/85/89/431538589.db2.gz DYWGLIDTXBVWNP-RBUKOAKNSA-N 2 0 319.493 2.995 20 0 DFADRP C[N@H+](CCN1CCC[C@]2(CC[NH+](C)C2)C1)Cc1ccccc1 ZINC000660664180 431538633 /nfs/dbraw/zinc/53/86/33/431538633.db2.gz QLPYQPXIDKHIHI-LJQANCHMSA-N 2 0 301.478 2.536 20 0 DFADRP C[C@@H]([NH2+]CC1CC[NH+](C2CC2)CC1)c1cc2n(n1)CCCC2 ZINC000647301735 431544844 /nfs/dbraw/zinc/54/48/44/431544844.db2.gz ZBGRPEKNTKVVLT-CQSZACIVSA-N 2 0 302.466 2.744 20 0 DFADRP CC(C)[C@H](CNC(=O)C1([NH3+])CCCCC1)[NH+]1CCC(C)CC1 ZINC000236654876 280240603 /nfs/dbraw/zinc/24/06/03/280240603.db2.gz VUJDSGMKVMYDMU-INIZCTEOSA-N 2 0 309.498 2.521 20 0 DFADRP O=c1[nH]c2ccccc2cc1C[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000647480622 431602283 /nfs/dbraw/zinc/60/22/83/431602283.db2.gz VHMZCPHSIBOVSG-RDJZCZTQSA-N 2 0 311.429 2.904 20 0 DFADRP CCOCc1cc(C[N@H+](C2CC2)C2CC[NH2+]CC2)ccc1OC ZINC000647483058 431602579 /nfs/dbraw/zinc/60/25/79/431602579.db2.gz VYFXKQAIKRHTFQ-UHFFFAOYSA-N 2 0 318.461 2.948 20 0 DFADRP COc1cccc(C[N@@H+]2CCC[C@H]([C@H]3C[C@@H]([NH3+])CCO3)C2)c1F ZINC000650707846 431652558 /nfs/dbraw/zinc/65/25/58/431652558.db2.gz ODOJOJIOAXBQSN-JLJPHGGASA-N 2 0 322.424 2.553 20 0 DFADRP COc1ccc(C)cc1C[N@@H+]1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1 ZINC000650706473 431654103 /nfs/dbraw/zinc/65/41/03/431654103.db2.gz LQHKEOLCBNBRAF-KVSKMBFKSA-N 2 0 318.461 2.722 20 0 DFADRP COc1cc2c(c(C[N@@H+]3C[C@@H]4CCC[C@]4(C[NH3+])C3)c1)O[C@@H](C)C2 ZINC000650709389 431655500 /nfs/dbraw/zinc/65/55/00/431655500.db2.gz XQJXEDJKLNLJGE-AXHNFQJDSA-N 2 0 316.445 2.579 20 0 DFADRP C[C@H]1CCC[N@H+](Cc2cccc3c2OCCCO3)[C@H]1CC[NH3+] ZINC000650711028 431656621 /nfs/dbraw/zinc/65/66/21/431656621.db2.gz GOYKEANZEWAESZ-HOCLYGCPSA-N 2 0 304.434 2.797 20 0 DFADRP CC(C)n1ncc2cc(C[N@@H+]3CCC[C@@H](C)[C@@H]3CC[NH3+])cnc21 ZINC000650710976 431656737 /nfs/dbraw/zinc/65/67/37/431656737.db2.gz DWOPDHQEHVIEHM-PBHICJAKSA-N 2 0 315.465 2.962 20 0 DFADRP Cc1cccc(-c2n[nH]cc2C[N@@H+]2C[C@@H]3CCC[C@]3(C[NH3+])C2)c1 ZINC000650709338 431656973 /nfs/dbraw/zinc/65/69/73/431656973.db2.gz SOLCUSWMMQVLRE-HKUYNNGSSA-N 2 0 310.445 2.946 20 0 DFADRP COCCOc1ccc(C[N@@H+]2CCC[C@H](C)[C@H]2CC[NH3+])cc1 ZINC000650711239 431657211 /nfs/dbraw/zinc/65/72/11/431657211.db2.gz MRVXWKVRPFPEKF-MAUKXSAKSA-N 2 0 306.450 2.661 20 0 DFADRP COc1cccc(C[NH2+]CCC2(C[NH3+])CC2)c1OC(F)F ZINC000650711830 431659302 /nfs/dbraw/zinc/65/93/02/431659302.db2.gz FWAIXXCWGZXXGX-UHFFFAOYSA-N 2 0 300.349 2.515 20 0 DFADRP COc1c(Br)cccc1C[NH2+]CCC1(C[NH3+])CC1 ZINC000650714204 431659748 /nfs/dbraw/zinc/65/97/48/431659748.db2.gz VXSNNCFBJDQJEC-UHFFFAOYSA-N 2 0 313.239 2.676 20 0 DFADRP C[C@@H]1C[C@@H]([NH2+]CCC2(C[NH3+])CC2)CCN1Cc1ccccc1 ZINC000650713434 431659987 /nfs/dbraw/zinc/65/99/87/431659987.db2.gz SLGJSAPPQBMTKF-AEFFLSMTSA-N 2 0 301.478 2.758 20 0 DFADRP C[C@H]1CCC[N@H+](Cc2ccc3c(c2)sc(=O)n3C)[C@@H]1CC[NH3+] ZINC000650711839 431660367 /nfs/dbraw/zinc/66/03/67/431660367.db2.gz FZHOYABNYJEUIH-GXTWGEPZSA-N 2 0 319.474 2.549 20 0 DFADRP [NH3+]CC1(CC[NH2+]C2CCN(CCc3ccc(F)cc3)CC2)CC1 ZINC000650713683 431660411 /nfs/dbraw/zinc/66/04/11/431660411.db2.gz ZRMQITJTYRMBLP-UHFFFAOYSA-N 2 0 319.468 2.551 20 0 DFADRP CC(C)[N@H+](C)C[C@@H](O)C[NH+]1C[C@H](c2ccccc2)C2(CCC2)C1 ZINC000660805249 431606868 /nfs/dbraw/zinc/60/68/68/431606868.db2.gz YWOGBLFFRKHGAF-RTBURBONSA-N 2 0 316.489 2.957 20 0 DFADRP CCOCc1cc(C[N@@H+]2CC[C@@H]([NH3+])[C@H](CC)C2)ccc1OC ZINC000647498881 431609843 /nfs/dbraw/zinc/60/98/43/431609843.db2.gz SNKWQRPYBVYXOF-NVXWUHKLSA-N 2 0 306.450 2.791 20 0 DFADRP C[N@H+](Cc1ccc(OCC[NH+]2CCCC2)cc1)CC(C)(C)C[NH3+] ZINC000647505972 431610148 /nfs/dbraw/zinc/61/01/48/431610148.db2.gz VYEVJLMWYQBKRW-UHFFFAOYSA-N 3 0 319.493 2.578 20 0 DFADRP C[C@@H]1CC[N@H+](Cc2ccccc2)CCN1C[C@@H]1CCC[NH2+]C1 ZINC000647515487 431612239 /nfs/dbraw/zinc/61/22/39/431612239.db2.gz HRPOLKDJJOLTGM-IEBWSBKVSA-N 2 0 301.478 2.582 20 0 DFADRP Cc1ccc(-c2nn(C)cc2C[N@@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)o1 ZINC000647511820 431612918 /nfs/dbraw/zinc/61/29/18/431612918.db2.gz ILBQRVANDJHMKZ-CWRNSKLLSA-N 2 0 314.433 2.548 20 0 DFADRP Nc1ccc(C[N@@H+]2CCCC[C@H]2[C@H](C[NH3+])Cc2ccccc2)cn1 ZINC000647532610 431616424 /nfs/dbraw/zinc/61/64/24/431616424.db2.gz UCZVXDHKRMUURE-OALUTQOASA-N 2 0 324.472 2.666 20 0 DFADRP CC(C)[N@H+](C)C[C@@H](O)C[NH+]1CCC[C@]1(C)Cc1ccc(F)cc1 ZINC000660829747 431617498 /nfs/dbraw/zinc/61/74/98/431617498.db2.gz GKZWZDMKXWBJGU-RTBURBONSA-N 2 0 322.468 2.924 20 0 DFADRP Cn1cnc2cc(C[N@@H+]3CCC[C@@H]([C@@H]4CCC[NH2+]C4)C3)ccc21 ZINC000647542718 431621903 /nfs/dbraw/zinc/62/19/03/431621903.db2.gz ANVBJMAMMXNFQR-IAGOWNOFSA-N 2 0 312.461 2.785 20 0 DFADRP COc1ccc(C[N@@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)cc1OC ZINC000647543909 431624028 /nfs/dbraw/zinc/62/40/28/431624028.db2.gz UJGUOSIYLMFBOP-DLBZAZTESA-N 2 0 318.461 2.915 20 0 DFADRP Cc1ccc2ncc(C[N@@H+]3CCC[C@H]([C@@H]4CCC[NH2+]C4)C3)n2c1 ZINC000647543328 431625728 /nfs/dbraw/zinc/62/57/28/431625728.db2.gz LALCVKDDOLLADN-SJORKVTESA-N 2 0 312.461 2.854 20 0 DFADRP COc1ccc(OC)c(C[N@@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)c1 ZINC000647543305 431626303 /nfs/dbraw/zinc/62/63/03/431626303.db2.gz KXFWDWZRHBMNQK-CVEARBPZSA-N 2 0 318.461 2.915 20 0 DFADRP NC[C@H]([NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1)c1ccc2ccccc2c1 ZINC000647547006 431627664 /nfs/dbraw/zinc/62/76/64/431627664.db2.gz KMHCSFTXONTOEG-HAGHYFMRSA-N 2 0 309.457 2.817 20 0 DFADRP Clc1cc(C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)cc2c1OCCO2 ZINC000647550394 431628695 /nfs/dbraw/zinc/62/86/95/431628695.db2.gz ONPDKALADVTHPG-MGPQQGTHSA-N 2 0 322.836 2.589 20 0 DFADRP CC[NH+]1CCN([C@H](C)C[NH2+]Cc2cc3c(cccc3C)[nH]2)CC1 ZINC000657309497 431664163 /nfs/dbraw/zinc/66/41/63/431664163.db2.gz DXUDXCKJPCXNEY-MRXNPFEDSA-N 2 0 314.477 2.592 20 0 DFADRP C[C@H]1CCC[N@H+](CCCC[NH2+]Cc2c(C3CC3)cnn2C)C1 ZINC000657311433 431666394 /nfs/dbraw/zinc/66/63/94/431666394.db2.gz KHPWYYKBZQEQSG-HNNXBMFYSA-N 2 0 304.482 2.899 20 0 DFADRP COc1ccc(C[N@@H+]2CCCC[C@@H]2[C@H]2C[C@H]([NH3+])CCO2)c(F)c1 ZINC000650724345 431668874 /nfs/dbraw/zinc/66/88/74/431668874.db2.gz DESWPMPNYCEKAU-ZTFGCOKTSA-N 2 0 322.424 2.695 20 0 DFADRP Cc1ccc(CCC[N@@H+]2CCCC[C@@H]2[C@@H]2C[C@@H]([NH3+])CCO2)cn1 ZINC000650724507 431669297 /nfs/dbraw/zinc/66/92/97/431669297.db2.gz HWQDBTARPOJIMT-OTWHNJEPSA-N 2 0 317.477 2.683 20 0 DFADRP C[C@@H]([NH2+]CCC1(C[NH3+])CC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000650746097 431677514 /nfs/dbraw/zinc/67/75/14/431677514.db2.gz VZVKYJPWFXFRJX-SJLPKXTDSA-N 3 0 301.478 2.616 20 0 DFADRP [NH3+]Cc1ccc(C[NH2+]C2CCC(O)(C(F)(F)F)CC2)c(F)c1 ZINC000650753501 431680903 /nfs/dbraw/zinc/68/09/03/431680903.db2.gz OSXAKSMDINCNFJ-UHFFFAOYSA-N 2 0 320.330 2.610 20 0 DFADRP [NH3+]Cc1ccc(CN[C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)c(F)c1 ZINC000650755938 431683067 /nfs/dbraw/zinc/68/30/67/431683067.db2.gz PUAIBKWKMJLFHD-RYQLBKOJSA-N 2 0 305.441 2.685 20 0 DFADRP CN(C)[C@H](C[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)c1ccc(Cl)cc1 ZINC000647788001 431684090 /nfs/dbraw/zinc/68/40/90/431684090.db2.gz BLOSJHDCRBDJCZ-CYGHRXIMSA-N 2 0 321.896 2.920 20 0 DFADRP c1cnn(C[C@H]([NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)c2ccccc2)c1 ZINC000647786090 431684421 /nfs/dbraw/zinc/68/44/21/431684421.db2.gz HWLPNLFBOIWRJV-HCXYKTFWSA-N 2 0 310.445 2.602 20 0 DFADRP c1nn2c(c1CNC1CC[NH+](CC3CCCC3)CC1)CCC2 ZINC000657335881 431684364 /nfs/dbraw/zinc/68/43/64/431684364.db2.gz KXCSSFGGLACCLF-UHFFFAOYSA-N 2 0 302.466 2.574 20 0 DFADRP CN(CCCC[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1)c1ccccc1 ZINC000647786328 431684468 /nfs/dbraw/zinc/68/44/68/431684468.db2.gz MXIAIZQHFHRVHW-OKZBNKHCSA-N 2 0 301.478 2.881 20 0 DFADRP C[C@@H]([NH2+]CCC1CC[NH2+]CC1)c1cccc(N2CCOCC2)c1 ZINC000650763644 431684615 /nfs/dbraw/zinc/68/46/15/431684615.db2.gz GHBCPEAKVZTDLQ-MRXNPFEDSA-N 2 0 317.477 2.564 20 0 DFADRP COc1ccc2[nH]cc(CC[NH2+][C@@H]3CC[C@H]4C[NH2+]C[C@@H]4C3)c2c1 ZINC000647785604 431684972 /nfs/dbraw/zinc/68/49/72/431684972.db2.gz CAYKPBFQQZTARK-CWRNSKLLSA-N 2 0 313.445 2.697 20 0 DFADRP C[C@@H]([NH2+]CCC1CC[NH2+]CC1)c1cccc(OCC[NH+](C)C)c1 ZINC000650763726 431685232 /nfs/dbraw/zinc/68/52/32/431685232.db2.gz HZFYBTSDFWUHHO-MRXNPFEDSA-N 3 0 319.493 2.667 20 0 DFADRP C[C@H]([NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1)c1cccc(-n2ccnc2)c1 ZINC000647788272 431685570 /nfs/dbraw/zinc/68/55/70/431685570.db2.gz GWOAVZQRTRCKIG-DZJNRPSUSA-N 2 0 310.445 2.911 20 0 DFADRP FC1(F)Oc2ccc(CC[NH2+][C@@H]3CC[C@H]4C[NH2+]C[C@H]4C3)cc2O1 ZINC000650761242 431685777 /nfs/dbraw/zinc/68/57/77/431685777.db2.gz VSWXDMPSRJHTAR-BFHYXJOUSA-N 2 0 324.371 2.528 20 0 DFADRP C[C@@H](c1ccccc1)N1CC[C@@H]([NH2+]CCC2CC[NH2+]CC2)C1 ZINC000650764220 431686037 /nfs/dbraw/zinc/68/60/37/431686037.db2.gz TYEDNANAFNPLCZ-QFBILLFUSA-N 2 0 301.478 2.801 20 0 DFADRP CCCOc1ccc(C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)cc1OC ZINC000647788651 431686491 /nfs/dbraw/zinc/68/64/91/431686491.db2.gz NSPBKCXHDDQNEY-YESZJQIVSA-N 2 0 318.461 2.962 20 0 DFADRP CC[C@H](C[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1)Oc1cccc(F)c1 ZINC000647788290 431686652 /nfs/dbraw/zinc/68/66/52/431686652.db2.gz HBIPPUFBHLQHHN-XOSAIJSUSA-N 2 0 306.425 2.961 20 0 DFADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCC[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)C1 ZINC000647790095 431687472 /nfs/dbraw/zinc/68/74/72/431687472.db2.gz RIGYDTJIAFMZOF-MTHXSQLBSA-N 3 0 307.526 2.722 20 0 DFADRP CCCC(=O)Nc1ccc(C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC000647790352 431687521 /nfs/dbraw/zinc/68/75/21/431687521.db2.gz WQTQJZCFMSCOHI-XYJFISCASA-N 2 0 315.461 2.903 20 0 DFADRP C1[NH2+]C[C@@H]2C[C@H]([NH2+]C3CC[NH+](C4CCCCC4)CC3)CC[C@@H]12 ZINC000647788741 431687532 /nfs/dbraw/zinc/68/75/32/431687532.db2.gz POWAZNGQODISBX-XYJFISCASA-N 3 0 305.510 2.761 20 0 DFADRP c1cn(CCc2ccccc2)c(C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)n1 ZINC000647788712 431688005 /nfs/dbraw/zinc/68/80/05/431688005.db2.gz PDHARZNCYMYXAT-GUDVDZBRSA-N 2 0 324.472 2.604 20 0 DFADRP Cn1c(C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)nc2cc(Cl)ccc21 ZINC000647795826 431689412 /nfs/dbraw/zinc/68/94/12/431689412.db2.gz XGGYIAWFWBNQEH-OUCADQQQSA-N 2 0 318.852 2.704 20 0 DFADRP Cc1ccn(-c2ccccc2C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)n1 ZINC000647793169 431689569 /nfs/dbraw/zinc/68/95/69/431689569.db2.gz ODZLDPHOAJTWPE-CGTJXYLNSA-N 2 0 310.445 2.658 20 0 DFADRP c1cnc(OC2CCCC2)c(C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)c1 ZINC000647793322 431689677 /nfs/dbraw/zinc/68/96/77/431689677.db2.gz TXZDXZBDBJAVMP-USXIJHARSA-N 2 0 315.461 2.881 20 0 DFADRP Cn1cc(C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)c(-c2ccccc2)n1 ZINC000647794100 431689744 /nfs/dbraw/zinc/68/97/44/431689744.db2.gz RDLMQYATIGJJBD-SOLBZPMBSA-N 2 0 310.445 2.565 20 0 DFADRP CCCCOc1ncccc1C[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000647793164 431689871 /nfs/dbraw/zinc/68/98/71/431689871.db2.gz NEWIRZOAVAXQGW-BHYGNILZSA-N 2 0 303.450 2.738 20 0 DFADRP CCc1cccc2cc(C[NH2+]C[C@H](C)N3CC[NH+](C)CC3)oc21 ZINC000657348684 431691590 /nfs/dbraw/zinc/69/15/90/431691590.db2.gz DPXNRYNQUUZMGZ-HNNXBMFYSA-N 2 0 315.461 2.721 20 0 DFADRP COc1cc(F)cc(C[C@H](C)[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000647799448 431691640 /nfs/dbraw/zinc/69/16/40/431691640.db2.gz HCSKIHZMJPBIJF-NZUILWFCSA-N 2 0 306.425 2.743 20 0 DFADRP C[C@H]([NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1)c1nccn1-c1ccccc1 ZINC000647796784 431692196 /nfs/dbraw/zinc/69/21/96/431692196.db2.gz NSMIJWSJWGUZAX-YLFCFFPRSA-N 2 0 310.445 2.911 20 0 DFADRP Fc1ccccc1N1CC[C@H](C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)C1 ZINC000647798808 431692358 /nfs/dbraw/zinc/69/23/58/431692358.db2.gz XQTGOYRMJVSKOK-QBPKDAKJSA-N 2 0 317.452 2.630 20 0 DFADRP C[C@@H]1CCC[C@H](C)[N@H+]1CCNCc1ccnn1-c1cc[nH+]cc1 ZINC000657352534 431695376 /nfs/dbraw/zinc/69/53/76/431695376.db2.gz AIFMIQUTNJTYBR-IYBDPMFKSA-N 2 0 313.449 2.620 20 0 DFADRP C[C@H]1C[NH+](C(C)(C)CNc2[nH+]ccc3[nH]ccc32)C[C@H](C)O1 ZINC000647852962 431708267 /nfs/dbraw/zinc/70/82/67/431708267.db2.gz YRHQSOICMSCBTB-STQMWFEESA-N 2 0 302.422 2.863 20 0 DFADRP C[NH2+]Cc1ccccc1C[NH2+]C1CCN(c2nccs2)CC1 ZINC000650719234 431662950 /nfs/dbraw/zinc/66/29/50/431662950.db2.gz ITBHOOZQYSIZLT-UHFFFAOYSA-N 2 0 316.474 2.621 20 0 DFADRP COc1cccc2c1CC[C@H]2[NH2+]C1CC[NH+](CC(C)(C)O)CC1 ZINC000647909367 431723785 /nfs/dbraw/zinc/72/37/85/431723785.db2.gz IDYVZTUEXMATCM-QGZVFWFLSA-N 2 0 318.461 2.507 20 0 DFADRP CO[C@@](C)(C[N@@H+]1CC[C@@H](CN(C)Cc2cccnc2)C1)C1CC1 ZINC000647912754 431726036 /nfs/dbraw/zinc/72/60/36/431726036.db2.gz YWKZBMPTBZNJDJ-HKUYNNGSSA-N 2 0 317.477 2.650 20 0 DFADRP CSc1ccccc1NC(=O)CC[NH+]1CCC(C)([NH3+])CC1 ZINC000647925778 431730469 /nfs/dbraw/zinc/73/04/69/431730469.db2.gz XAKMYXUILYWPPU-UHFFFAOYSA-N 2 0 307.463 2.550 20 0 DFADRP CC[C@@H]1C[N@H+](CCC(=O)Nc2cccc(F)c2C)CC[C@@H]1[NH3+] ZINC000647936284 431735974 /nfs/dbraw/zinc/73/59/74/431735974.db2.gz AUWAIHCCACIWGY-HIFRSBDPSA-N 2 0 307.413 2.522 20 0 DFADRP CC(C)[N@H+](C)C[C@@H](O)C[NH+]1CCCC[C@H]1Cc1ccccc1 ZINC000647962294 431751510 /nfs/dbraw/zinc/75/15/10/431751510.db2.gz XROWLURYSNAWBJ-RBUKOAKNSA-N 2 0 304.478 2.785 20 0 DFADRP CCC[N@H+](C[C@H](O)C[NH+](C)C(C)C)[C@H]1C[C@@H](OCC)C1(C)C ZINC000647965030 431753938 /nfs/dbraw/zinc/75/39/38/431753938.db2.gz COTMOYJGBUNMNB-IXDOHACOSA-N 2 0 314.514 2.603 20 0 DFADRP CCOc1ccc(C[NH2+][C@@H](C)CCN2CC[NH+](C)CC2)c(C)c1 ZINC000657438852 431754465 /nfs/dbraw/zinc/75/44/65/431754465.db2.gz PVHBCFPCWLEOHY-KRWDZBQOSA-N 2 0 319.493 2.509 20 0 DFADRP CC[N@H+](C)C[C@H]1CC[NH+](C[C@H]2CCCN(C(=O)C(C)(C)C)C2)C1 ZINC000647966568 431754469 /nfs/dbraw/zinc/75/44/69/431754469.db2.gz ZJKBHSOPIRPCLN-IAGOWNOFSA-N 2 0 323.525 2.545 20 0 DFADRP FC(F)Oc1ccccc1CC[NH2+]Cc1cnc2n1CCC2 ZINC000657444804 431758063 /nfs/dbraw/zinc/75/80/63/431758063.db2.gz OGBUIVMFYDXXBB-UHFFFAOYSA-N 2 0 307.344 2.763 20 0 DFADRP COCC[N@H+](CCCC1CC[NH2+]CC1)CCc1ccccc1 ZINC000647879519 431715880 /nfs/dbraw/zinc/71/58/80/431715880.db2.gz GPLGYUXKFCWZRB-UHFFFAOYSA-N 2 0 304.478 2.957 20 0 DFADRP CC(C)(C)C(=O)NC[C@H]1CCC[N@H+](CCCC2CC[NH2+]CC2)C1 ZINC000647884645 431717984 /nfs/dbraw/zinc/71/79/84/431717984.db2.gz TWBPHOVHFQBGAA-QGZVFWFLSA-N 2 0 323.525 2.641 20 0 DFADRP c1cc(C[N@@H+](C[C@@H]2CC[NH2+]C2)C2CCCC2)cc2c1OCC2 ZINC000647884415 431718149 /nfs/dbraw/zinc/71/81/49/431718149.db2.gz MNSITIOCDKWRAK-MRXNPFEDSA-N 2 0 300.446 2.976 20 0 DFADRP OCC[N@H+](CCCC1CC[NH2+]CC1)[C@H]1CCc2ccccc21 ZINC000647884942 431718928 /nfs/dbraw/zinc/71/89/28/431718928.db2.gz OJBSJXJQBJFVDM-IBGZPJMESA-N 2 0 302.462 2.748 20 0 DFADRP CCCCNC(=O)C1([NH2+]CCCC2CC[NH2+]CC2)CCCCC1 ZINC000647892259 431721511 /nfs/dbraw/zinc/72/15/11/431721511.db2.gz JQPKGFRVVDZPSV-UHFFFAOYSA-N 2 0 323.525 2.975 20 0 DFADRP CC(C)[C@@H]1OCCC[C@@H]1C[NH2+]Cc1ccnn1-c1cc[nH+]cc1 ZINC000657389325 431721813 /nfs/dbraw/zinc/72/18/13/431721813.db2.gz KEGJUINVVTWMOY-QAPCUYQASA-N 2 0 314.433 2.808 20 0 DFADRP CC(C)Cn1nccc1C[N@@H+]1CC[C@H](C2CC[NH+](C)CC2)C1 ZINC000648035746 431792774 /nfs/dbraw/zinc/79/27/74/431792774.db2.gz OIPOVLFGNZZMHH-KRWDZBQOSA-N 2 0 304.482 2.703 20 0 DFADRP COC1CC(CC[NH2+]Cc2ccc(OCC[NH+](C)C)cc2)C1 ZINC000657526765 431797199 /nfs/dbraw/zinc/79/71/99/431797199.db2.gz KSZXNQJNYAJWPX-UHFFFAOYSA-N 2 0 306.450 2.532 20 0 DFADRP C[C@@H]1CN(C)C[C@H]1[NH2+]C[C@@H]1CCN(c2ccccc2Cl)C1 ZINC000657537467 431800845 /nfs/dbraw/zinc/80/08/45/431800845.db2.gz LZUSOBZFUBPERH-IJEWVQPXSA-N 2 0 307.869 2.706 20 0 DFADRP COC1(C[NH2+]CC2CC[NH+](C3CCOCC3)CC2)CCCCC1 ZINC000657537575 431801165 /nfs/dbraw/zinc/80/11/65/431801165.db2.gz PISJQZPZBLAFES-UHFFFAOYSA-N 2 0 324.509 2.816 20 0 DFADRP CC(C)(C)O[C@H]1C[C@@H]([NH2+]C2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000648067955 431806547 /nfs/dbraw/zinc/80/65/47/431806547.db2.gz NPFUTYVOLXGMIY-WOVMCDHWSA-N 2 0 303.450 2.986 20 0 DFADRP CC[C@@H](COCC1CC1)[NH2+]Cc1ccnn1-c1cc[nH+]cc1 ZINC000657563850 431809564 /nfs/dbraw/zinc/80/95/64/431809564.db2.gz XEWNOGPNLWLUFY-HNNXBMFYSA-N 2 0 300.406 2.562 20 0 DFADRP C[NH+]1CCC2(CC1)C[N@H+](Cc1ccc3cnccc3c1)CCO2 ZINC000648071972 431809669 /nfs/dbraw/zinc/80/96/69/431809669.db2.gz DTBQXUSHRRGMRH-UHFFFAOYSA-N 2 0 311.429 2.531 20 0 DFADRP C[C@@H](C[NH2+][C@@H](C)CN(C)CCC[NH+](C)C)c1ccc(F)cc1 ZINC000657574072 431814660 /nfs/dbraw/zinc/81/46/60/431814660.db2.gz YHJUGPCMLMCVPV-HOTGVXAUSA-N 2 0 309.473 2.791 20 0 DFADRP CCc1nc2ccccc2n1C1CC[NH+](C[C@H]2CC[NH2+]C2)CC1 ZINC000647989926 431766718 /nfs/dbraw/zinc/76/67/18/431766718.db2.gz FIQJXZBYEYVWMZ-HNNXBMFYSA-N 2 0 312.461 2.845 20 0 DFADRP Cn1ncc(C(F)(F)F)c1C[NH2+]CCCCC[NH+]1CCCC1 ZINC000657475066 431774753 /nfs/dbraw/zinc/77/47/53/431774753.db2.gz ZEGVIDQCNAKBOB-UHFFFAOYSA-N 2 0 318.387 2.795 20 0 DFADRP CC(C)[N@H+](C)C[C@@H](O)C[NH+]1CCc2ccccc2C(C)(C)C1 ZINC000661214462 431781992 /nfs/dbraw/zinc/78/19/92/431781992.db2.gz ABURGSTZOPJWPF-QGZVFWFLSA-N 2 0 304.478 2.523 20 0 DFADRP C[N@@H+]1CCC[C@@H](CC[NH2+]Cc2ccc(O[C@@H]3CCOC3)cc2)C1 ZINC000657491858 431782057 /nfs/dbraw/zinc/78/20/57/431782057.db2.gz LJZRKXSMMDZQHX-PKOBYXMFSA-N 2 0 318.461 2.676 20 0 DFADRP Cc1ccsc1C[NH2+]Cc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1 ZINC000657595293 431820237 /nfs/dbraw/zinc/82/02/37/431820237.db2.gz OJXSVEFQFREJNR-KRWDZBQOSA-N 2 0 316.470 2.913 20 0 DFADRP C[N@@H+]1C[C@@H]2CCN(Cc3cccc(C[NH+]4CCCCC4)c3)[C@@H]2C1 ZINC000664570343 431821907 /nfs/dbraw/zinc/82/19/07/431821907.db2.gz FLMDMUWPACBUJI-VQTJNVASSA-N 2 0 313.489 2.808 20 0 DFADRP CO[C@@H]1CCC[C@@H]([NH2+]CC2CC[NH+](Cc3ccncc3)CC2)C1 ZINC000657613266 431826119 /nfs/dbraw/zinc/82/61/19/431826119.db2.gz JZIWNHWSNZGBSX-RTBURBONSA-N 2 0 317.477 2.841 20 0 DFADRP CC[C@H]1CN(C(=O)CCC(C)(C)[NH3+])CC[N@@H+]1Cc1ccccc1 ZINC000648163189 431829969 /nfs/dbraw/zinc/82/99/69/431829969.db2.gz GMOWEHPNQDKEKJ-KRWDZBQOSA-N 2 0 317.477 2.627 20 0 DFADRP c1ccc([C@@H]2CO[C@H](C[NH2+][C@@H]3CC[N@@H+]4CCC[C@H]4C3)C2)cc1 ZINC000657657132 431833604 /nfs/dbraw/zinc/83/36/04/431833604.db2.gz WBMDWUHOMFLKGH-RDGPPVDQSA-N 2 0 300.446 2.776 20 0 DFADRP Cc1ccc2c(c1)[C@H]([NH2+][C@@H](C)CN1CC[NH+](C)CC1)CCC2 ZINC000166531766 281121724 /nfs/dbraw/zinc/12/17/24/281121724.db2.gz YNDDDWVBWBWQPG-QFBILLFUSA-N 2 0 301.478 2.598 20 0 DFADRP Cc1[nH+]c2ccccc2c(N2CC[C@@H]3OCC[N@@H+](C)[C@H]3C2)c1C ZINC000284936696 282073771 /nfs/dbraw/zinc/07/37/71/282073771.db2.gz JEWQZKXKTKAPFU-ROUUACIJSA-N 2 0 311.429 2.761 20 0 DFADRP COc1cc([C@H](C)[NH2+]CCCC[N@@H+]2CCC[C@@H]2CO)ccc1F ZINC000153718909 289057027 /nfs/dbraw/zinc/05/70/27/289057027.db2.gz DFYJFXVQWOAKRZ-GOEBONIOSA-N 2 0 324.440 2.722 20 0 DFADRP C[NH+](C)[C@H]1CCc2cc(NC(=O)NC3(C[NH3+])CCCC3)ccc21 ZINC000415793215 289139039 /nfs/dbraw/zinc/13/90/39/289139039.db2.gz UBHNJJZEBKTVGB-INIZCTEOSA-N 2 0 316.449 2.629 20 0 DFADRP C[NH+](C)[C@H](CNC(=O)CC1(C[NH3+])CCCCC1)c1cccs1 ZINC000185352743 289351835 /nfs/dbraw/zinc/35/18/35/289351835.db2.gz XFHBNNJEINURFX-CQSZACIVSA-N 2 0 323.506 2.766 20 0 DFADRP C[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@@H]21)c1ccc([S@@](C)=O)cc1 ZINC000353648231 290016305 /nfs/dbraw/zinc/01/63/05/290016305.db2.gz UMBFEPGPJGQDNA-RUDSMXOYSA-N 2 0 320.502 2.947 20 0 DFADRP C[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@@H]21)c1ccc([S@](C)=O)cc1 ZINC000353648232 290016477 /nfs/dbraw/zinc/01/64/77/290016477.db2.gz UMBFEPGPJGQDNA-URYOQXOESA-N 2 0 320.502 2.947 20 0 DFADRP C[C@H]1CC(C)(C)C[C@@H]1[NH2+]Cc1cccnc1N1CC[NH+](C)CC1 ZINC000193127154 290339508 /nfs/dbraw/zinc/33/95/08/290339508.db2.gz PWHHXEMAEZAFHZ-RDJZCZTQSA-N 2 0 316.493 2.748 20 0 DFADRP C[C@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)C[C@@H]2CCC[C@H]2[NH3+])C1 ZINC000261765160 290391536 /nfs/dbraw/zinc/39/15/36/290391536.db2.gz NXHJFKRXDKXPBR-XWTMOSNGSA-N 2 0 321.509 2.617 20 0 DFADRP C[C@H](C[NH2+]Cc1c[nH]nc1-c1ccsc1)C[NH+]1CCCC1 ZINC000436276103 296995801 /nfs/dbraw/zinc/99/58/01/296995801.db2.gz RDXUPAREMLIYTQ-CYBMUJFWSA-N 2 0 304.463 2.960 20 0 DFADRP CC[N@H+](C)C[C@@H]1CCN(C(=O)Nc2c(C)cc(C)nc2C)C1 ZINC000436499940 297007027 /nfs/dbraw/zinc/00/70/27/297007027.db2.gz YFICQGFZIDHFNS-HNNXBMFYSA-N 2 0 304.438 2.812 20 0 DFADRP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NC[C@@H]1CCC[N@@H+]1C1CCCCC1 ZINC000437870767 297073030 /nfs/dbraw/zinc/07/30/30/297073030.db2.gz SSLAZBQQFCQNKG-NUJGCVRESA-N 2 0 321.509 2.773 20 0 DFADRP Cc1ccc(NC(=O)C[C@H](C)[NH2+]C2CCC([NH3+])CC2)c(C)c1 ZINC000437797811 297069983 /nfs/dbraw/zinc/06/99/83/297069983.db2.gz JIDIHLZSXMTLHQ-FHERZECASA-N 2 0 303.450 2.880 20 0 DFADRP CO[C@H](C)[C@H](C)[NH2+][C@H](C)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000268848386 294338297 /nfs/dbraw/zinc/33/82/97/294338297.db2.gz FFVOZPHSMBVHPP-RRFJBIMHSA-N 2 0 323.456 2.652 20 0 DFADRP C[N@H+](CC[C@H]1CCOC1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000438112030 297081010 /nfs/dbraw/zinc/08/10/10/297081010.db2.gz YCFXZFIMGGMXDU-OALUTQOASA-N 2 0 302.462 2.867 20 0 DFADRP FC(F)(F)[C@H]1C[C@H]([NH2+]CCCCC[NH+]2CCCC2)CCO1 ZINC000339499668 294680670 /nfs/dbraw/zinc/68/06/70/294680670.db2.gz HBLUZXKTASRASG-ZIAGYGMSSA-N 2 0 308.388 2.952 20 0 DFADRP CC[NH+](CC)Cc1ccc(C[NH2+][C@H]2CCC(=O)NC2(C)C)cc1 ZINC000494878697 299886721 /nfs/dbraw/zinc/88/67/21/299886721.db2.gz PNMXZKZEXYMERM-KRWDZBQOSA-N 2 0 317.477 2.675 20 0 DFADRP COc1ccc([C@@H](C)[NH2+]CCN2CC[N@H+](C)C(C)(C)C2)cc1F ZINC000282347949 295207431 /nfs/dbraw/zinc/20/74/31/295207431.db2.gz PEALERNJXDWSQA-CQSZACIVSA-N 2 0 323.456 2.511 20 0 DFADRP [NH3+]C1CCC([NH2+]C[C@@H]2CCCCN2Cc2ccccc2)CC1 ZINC000261548686 295212474 /nfs/dbraw/zinc/21/24/74/295212474.db2.gz NVUUQCFLFGEZEA-ACBHZAAOSA-N 2 0 301.478 2.901 20 0 DFADRP C[C@H]1Cc2ccccc2[C@H]1[NH2+]CCCC[NH+]1CCN(C)CC1 ZINC000154372104 295298534 /nfs/dbraw/zinc/29/85/34/295298534.db2.gz NEKMRTYIQDZXMS-LPHOPBHVSA-N 2 0 301.478 2.537 20 0 DFADRP [NH3+][C@@H]1CCC[C@@H](C(=O)N2CCC[C@@H](C[NH+]3CCCCCC3)C2)C1 ZINC000237860725 295303254 /nfs/dbraw/zinc/30/32/54/295303254.db2.gz VPVFCAHRMMNCDN-RCCFBDPRSA-N 2 0 321.509 2.619 20 0 DFADRP Cc1nc(C(C)C)sc1[C@@H](C)[NH2+][C@@H](C)CN1CC[NH+](C)CC1 ZINC000154930805 295309486 /nfs/dbraw/zinc/30/94/86/295309486.db2.gz BLNGOFCZRALDTH-UONOGXRCSA-N 2 0 324.538 2.861 20 0 DFADRP [NH3+][C@@H]1CCC[C@H](C(=O)N2CCC[C@@H](C[NH+]3CCCCCC3)C2)C1 ZINC000237890945 295310211 /nfs/dbraw/zinc/31/02/11/295310211.db2.gz VPVFCAHRMMNCDN-OKZBNKHCSA-N 2 0 321.509 2.619 20 0 DFADRP [NH3+][C@@H]1CCC[C@H]1CC(=O)N1CCC[N@H+](CC2CCCCC2)CC1 ZINC000261731418 295314617 /nfs/dbraw/zinc/31/46/17/295314617.db2.gz KYYZFGFZXQUKIU-ZWKOTPCHSA-N 2 0 321.509 2.619 20 0 DFADRP CCc1ccc([C@@H](C)[NH2+]C[C@H](C)N2CC[NH+](CC)CC2)cc1 ZINC000155581903 295321343 /nfs/dbraw/zinc/32/13/43/295321343.db2.gz VIFHUWSBKHQAIG-DLBZAZTESA-N 2 0 303.494 2.926 20 0 DFADRP C[C@H]1C[C@@H](NC2CC[NH+](C3CCCCC3)CC2)C[N@@H+]1C1CC1 ZINC000157547830 295349906 /nfs/dbraw/zinc/34/99/06/295349906.db2.gz YOVJSIVZEPOSLO-DOTOQJQBSA-N 2 0 305.510 2.998 20 0 DFADRP COCCOc1ccc([C@H](C)[NH2+]C[C@@H]2CCC[N@H+](C)C2)cc1 ZINC000158144275 295358848 /nfs/dbraw/zinc/35/88/48/295358848.db2.gz PLHULKAATNACGL-HOTGVXAUSA-N 2 0 306.450 2.704 20 0 DFADRP CCN(CC)C(=O)C[C@@H](C)[NH2+]CCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000158679601 295366144 /nfs/dbraw/zinc/36/61/44/295366144.db2.gz YTJKOPXHIRFGGH-IXDOHACOSA-N 2 0 311.514 2.591 20 0 DFADRP CCC[C@@H]([NH2+]CCN1CCC([NH+](C)C)CC1)c1ccccn1 ZINC000159308246 295375245 /nfs/dbraw/zinc/37/52/45/295375245.db2.gz YXYLPOZZVDZZPF-QGZVFWFLSA-N 2 0 304.482 2.538 20 0 DFADRP CCC[C@H](C(=O)NCC1CC[NH+](CCC(C)C)CC1)[NH+](C)C ZINC000162435213 295413665 /nfs/dbraw/zinc/41/36/65/295413665.db2.gz YUWWEFPHEFEEHO-QGZVFWFLSA-N 2 0 311.514 2.591 20 0 DFADRP CCC[C@@H]([NH3+])C(=O)N(C)C1CC[NH+](C2CCC(C)CC2)CC1 ZINC000370765018 295463167 /nfs/dbraw/zinc/46/31/67/295463167.db2.gz AXIGDJQKXUMERZ-BDVYOWHSSA-N 2 0 309.498 2.615 20 0 DFADRP CCC1(C[NH2+]C2CC[NH+](CCc3ccccc3)CC2)COC1 ZINC000393968725 295481444 /nfs/dbraw/zinc/48/14/44/295481444.db2.gz VXMVGVQEDBFBNB-UHFFFAOYSA-N 2 0 302.462 2.710 20 0 DFADRP Cc1cc(C(C)(C)C)cc(C)c1C[NH+]1CCC(O)(C[NH3+])CC1 ZINC000397061663 295486611 /nfs/dbraw/zinc/48/66/11/295486611.db2.gz XTISRUWYSIJAQJ-UHFFFAOYSA-N 2 0 304.478 2.887 20 0 DFADRP C[C@@H]([NH2+]CCCC[NH+](C)C)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000400748228 295498688 /nfs/dbraw/zinc/49/86/88/295498688.db2.gz UWLXTCQJHLDEMW-HUUCEWRRSA-N 2 0 313.486 2.563 20 0 DFADRP CC(C)[NH+]1CCC(NC(=O)C[NH2+][C@H](C)C2CCCCC2)CC1 ZINC000411449494 295540420 /nfs/dbraw/zinc/54/04/20/295540420.db2.gz CYPZUXPKCGWCKI-OAHLLOKOSA-N 2 0 309.498 2.534 20 0 DFADRP CC[NH+]1CCC(NC(=O)C[NH2+][C@@H](C)c2cc(C)cc(C)c2)CC1 ZINC000411458993 295540959 /nfs/dbraw/zinc/54/09/59/295540959.db2.gz FUXYENFWZNZQOU-INIZCTEOSA-N 2 0 317.477 2.555 20 0 DFADRP CC[NH+](CC)[C@H](C(=O)NCC1([NH+](C)C)CCC1)c1ccccc1 ZINC000438529652 297097104 /nfs/dbraw/zinc/09/71/04/297097104.db2.gz QHBUTIODVXSGEA-KRWDZBQOSA-N 2 0 317.477 2.670 20 0 DFADRP CC[C@@H]1C[NH+](C/C=C\C[N@@H+]2CCCO[C@H](CC)C2)CCCO1 ZINC000439470874 297127210 /nfs/dbraw/zinc/12/72/10/297127210.db2.gz FEFBBCSJGLFIGL-OSFIAYCASA-N 2 0 310.482 2.544 20 0 DFADRP CC[C@@H]1C[NH+](C[C@@H](C)C[N@@H+]2CCCO[C@@H](CC)C2)CCCO1 ZINC000439486706 297128451 /nfs/dbraw/zinc/12/84/51/297128451.db2.gz MZOHQGJHPARPMA-NNZMDNLPSA-N 2 0 312.498 2.624 20 0 DFADRP CCC[N@H+](C)C[C@@H]1CCN(C(=O)[C@H]2CCC[NH+]2C2CCCC2)C1 ZINC000440268889 297149208 /nfs/dbraw/zinc/14/92/08/297149208.db2.gz NXIGJTJBUIZNRE-FUHWJXTLSA-N 2 0 321.509 2.584 20 0 DFADRP CCC[N@H+](C)C[C@H]1CCN(C(=O)[C@@H]2CCC[NH+]2C2CCCC2)C1 ZINC000440268887 297149414 /nfs/dbraw/zinc/14/94/14/297149414.db2.gz NXIGJTJBUIZNRE-AEFFLSMTSA-N 2 0 321.509 2.584 20 0 DFADRP C[N@@H+]1CCN(CC[NH2+][C@H]2CCC[C@H](C(F)(F)F)C2)CC1(C)C ZINC000441349993 297180441 /nfs/dbraw/zinc/18/04/41/297180441.db2.gz HCULDVDWCIYKKO-KBPBESRZSA-N 2 0 321.431 2.723 20 0 DFADRP CC[C@@H](C[NH2+]CCN1CC[N@H+](C)C(C)(C)C1)c1ccccc1 ZINC000441347279 297180583 /nfs/dbraw/zinc/18/05/83/297180583.db2.gz AANWXSXUECQIFR-KRWDZBQOSA-N 2 0 303.494 2.796 20 0 DFADRP C[C@H]1C[C@H](C[NH3+])C[N@@H+]1CCC(=O)Nc1cccc2ccccc21 ZINC000442750991 297204218 /nfs/dbraw/zinc/20/42/18/297204218.db2.gz BKMYLKATYPWJCE-LSDHHAIUSA-N 2 0 311.429 2.838 20 0 DFADRP C[C@H]([NH2+]CCN1CC[N@H+](C)C(C)(C)C1)C1CCC(F)(F)CC1 ZINC000442869975 297208691 /nfs/dbraw/zinc/20/86/91/297208691.db2.gz CDAMLYLNYKUQCS-AWEZNQCLSA-N 2 0 317.468 2.816 20 0 DFADRP COc1ccc(OC(F)F)c(C[N@@H+]2CCC[C@H](CC[NH3+])C2)c1 ZINC000442919363 297211120 /nfs/dbraw/zinc/21/11/20/297211120.db2.gz IQOQPELWSFPASR-GFCCVEGCSA-N 2 0 314.376 2.857 20 0 DFADRP Cc1cc(C(F)(F)F)ccc1C[NH2+]CC1(O)CC[NH+](C)CC1 ZINC000442998852 297212854 /nfs/dbraw/zinc/21/28/54/297212854.db2.gz JQEPSBMLHYJFDP-UHFFFAOYSA-N 2 0 316.367 2.560 20 0 DFADRP C[C@H](c1nc(-c2cccs2)no1)[N@@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000443056084 297213654 /nfs/dbraw/zinc/21/36/54/297213654.db2.gz CABZRZQBGXDROK-NEPJUHHUSA-N 2 0 306.435 2.920 20 0 DFADRP Cc1c(F)cccc1NC(=O)CC[N@@H+]1CCC[C@H](CC[NH3+])C1 ZINC000443057147 297213897 /nfs/dbraw/zinc/21/38/97/297213897.db2.gz FREILSFAPHXXFU-CQSZACIVSA-N 2 0 307.413 2.524 20 0 DFADRP CSc1ccccc1NC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000443058076 297213931 /nfs/dbraw/zinc/21/39/31/297213931.db2.gz JAEDOUACMNGOEK-KGLIPLIRSA-N 2 0 321.490 2.796 20 0 DFADRP CSc1ccccc1NC(=O)CC[N@@H+]1CCC[C@H](CC[NH3+])C1 ZINC000443061997 297214264 /nfs/dbraw/zinc/21/42/64/297214264.db2.gz SYKOHNDAGDOHMH-CQSZACIVSA-N 2 0 321.490 2.798 20 0 DFADRP Cc1ccc(F)cc1NC(=O)[C@@H](C)[N@@H+]1CCC[C@H](CC[NH3+])C1 ZINC000443062278 297214363 /nfs/dbraw/zinc/21/43/63/297214363.db2.gz UFVVHZMNKUIIQD-ZIAGYGMSSA-N 2 0 307.413 2.522 20 0 DFADRP [NH3+]CC[C@@H]1CCC[N@H+](CC(=O)NCCCC2CCCCC2)C1 ZINC000443060630 297214434 /nfs/dbraw/zinc/21/44/34/297214434.db2.gz PKDPOWOUQQEGSB-KRWDZBQOSA-N 2 0 309.498 2.524 20 0 DFADRP [NH3+]CC[C@@H]1CCC[N@H+](Cc2ccn(-c3ccc(F)cc3)n2)C1 ZINC000443068360 297214656 /nfs/dbraw/zinc/21/46/56/297214656.db2.gz HVYZPMKAFYXBSV-AWEZNQCLSA-N 2 0 302.397 2.572 20 0 DFADRP C[C@H](C(=O)Nc1ccc(Cl)cc1)[N@@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000443065974 297214743 /nfs/dbraw/zinc/21/47/43/297214743.db2.gz DCBSJTXFBOGJPP-OLZOCXBDSA-N 2 0 309.841 2.728 20 0 DFADRP [NH3+]CC[C@H]1CCC[N@@H+]([C@H]2CCN(c3ccc(Cl)cc3)C2=O)C1 ZINC000443065991 297214773 /nfs/dbraw/zinc/21/47/73/297214773.db2.gz DDAJYNJWHISNPI-CJNGLKHVSA-N 2 0 321.852 2.506 20 0 DFADRP CCc1ccccc1CC[NH+]1CCC(C[NH+]2CCOCC2)CC1 ZINC000444595463 297240716 /nfs/dbraw/zinc/24/07/16/297240716.db2.gz UWZUBJSFEXJQSY-UHFFFAOYSA-N 2 0 316.489 2.836 20 0 DFADRP CCc1c(C)[nH+]c2ccccc2c1NCC[N@@H+]1CCCOCC1 ZINC000445661413 297264511 /nfs/dbraw/zinc/26/45/11/297264511.db2.gz GDEWLHQRXPBBBZ-UHFFFAOYSA-N 2 0 313.445 2.662 20 0 DFADRP C[C@@H]1C[C@@H]([NH2+]CC2(c3ccccc3)CCOCC2)CC[N@@H+]1C ZINC000153582579 297283543 /nfs/dbraw/zinc/28/35/43/297283543.db2.gz RQWLUOJBGANLOK-AEFFLSMTSA-N 2 0 302.462 2.807 20 0 DFADRP Cc1ccc(NC(=O)CC[N@H+](C)CC[C@@H]2CCCC[NH+]2C)nc1 ZINC000447314375 297300820 /nfs/dbraw/zinc/30/08/20/297300820.db2.gz UYWBJRQARIPJMH-INIZCTEOSA-N 2 0 318.465 2.525 20 0 DFADRP CCC[NH+]1CCC(CNC(=O)c2sccc2C[NH+](C)C)CC1 ZINC000447430208 297303915 /nfs/dbraw/zinc/30/39/15/297303915.db2.gz FCUGIOLXQMZNOF-UHFFFAOYSA-N 2 0 323.506 2.662 20 0 DFADRP CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@](C)([NH3+])c1ccccc1 ZINC000447454403 297304404 /nfs/dbraw/zinc/30/44/04/297304404.db2.gz XTJHWAQRVMTHHH-MJGOQNOKSA-N 2 0 317.477 2.631 20 0 DFADRP COc1ccc2oc([C@H](C)[NH2+]CCOCC[NH+](C)C)c(C)c2c1 ZINC000447596819 297309895 /nfs/dbraw/zinc/30/98/95/297309895.db2.gz DOFFCMZVACHOLV-AWEZNQCLSA-N 2 0 320.433 2.979 20 0 DFADRP COc1ccc2oc([C@@H](C)[NH2+]CCOCC[NH+](C)C)c(C)c2c1 ZINC000447596822 297310028 /nfs/dbraw/zinc/31/00/28/297310028.db2.gz DOFFCMZVACHOLV-CQSZACIVSA-N 2 0 320.433 2.979 20 0 DFADRP C[NH+](C)CCOCC[NH2+][C@@H]1CC2(CCC2)Oc2ccccc21 ZINC000447597806 297310263 /nfs/dbraw/zinc/31/02/63/297310263.db2.gz HABKULYYYVLGGS-MRXNPFEDSA-N 2 0 304.434 2.601 20 0 DFADRP C[NH+](C)CCOCC[NH2+][C@H]1CCC[C@H]1CCc1ccccc1 ZINC000447603958 297310535 /nfs/dbraw/zinc/31/05/35/297310535.db2.gz XZQOOQPRAICZRL-OALUTQOASA-N 2 0 304.478 2.956 20 0 DFADRP CC[NH+](CC)CC1CC[NH+]([C@H](C)c2nc(C)cc(=O)[nH]2)CC1 ZINC000447853729 297321137 /nfs/dbraw/zinc/32/11/37/297321137.db2.gz IFVROGXHYJSKIQ-CQSZACIVSA-N 2 0 306.454 2.605 20 0 DFADRP C[NH+](C)Cc1ccc(-c2noc(C[C@@H]3CCCC[C@H]3[NH3+])n2)cc1 ZINC000448546877 297341802 /nfs/dbraw/zinc/34/18/02/297341802.db2.gz OUAMUIOYPLDKLS-JKSUJKDBSA-N 2 0 314.433 2.858 20 0 DFADRP COc1cc(C)ccc1C[N@H+](C)CC1CC[NH+](C[C@@H](C)O)CC1 ZINC000449027228 297393538 /nfs/dbraw/zinc/39/35/38/297393538.db2.gz LDHKOZXZMOAYRU-MRXNPFEDSA-N 2 0 320.477 2.528 20 0 DFADRP CCn1nnc(C)c1C[NH2+]Cc1ccc(C[NH+](CC)CC)cc1 ZINC000449066951 297399620 /nfs/dbraw/zinc/39/96/20/297399620.db2.gz GZKYKABFYZNETL-UHFFFAOYSA-N 2 0 315.465 2.738 20 0 DFADRP CCC[NH2+][C@H](C)C(=O)NCc1ccccc1C[NH+]1CCCCC1 ZINC000449072498 297400614 /nfs/dbraw/zinc/40/06/14/297400614.db2.gz PULYAKALTPEFKP-MRXNPFEDSA-N 2 0 317.477 2.677 20 0 DFADRP C[C@@H](Cc1ccoc1)[NH2+]Cc1cccc(OCC[NH+](C)C)c1 ZINC000449091362 297403831 /nfs/dbraw/zinc/40/38/31/297403831.db2.gz QBIWNVAEIMMNHI-HNNXBMFYSA-N 2 0 302.418 2.941 20 0 DFADRP O[C@@H](C[NH2+]C1CCC(OC2CCCC2)CC1)C[NH+]1CCCCC1 ZINC000449094941 297404623 /nfs/dbraw/zinc/40/46/23/297404623.db2.gz VCTBTVLYIFODKO-HFCFLWKCSA-N 2 0 324.509 2.693 20 0 DFADRP C[C@@H](Cc1ccoc1)[NH2+]Cc1ccccc1OCC[NH+](C)C ZINC000449103475 297405945 /nfs/dbraw/zinc/40/59/45/297405945.db2.gz BCQVVWCKXVZMNF-HNNXBMFYSA-N 2 0 302.418 2.941 20 0 DFADRP CC[NH+](CC)CCCC1CC[NH+](Cc2ccnc(OC)n2)CC1 ZINC000449234546 297426641 /nfs/dbraw/zinc/42/66/41/297426641.db2.gz QLYJPPDPWWGHAB-UHFFFAOYSA-N 2 0 320.481 2.819 20 0 DFADRP Cc1ccc([C@H](CNC(=O)C[C@H]2CCCC[C@H]2[NH3+])[NH+](C)C)cc1 ZINC000449331264 297447720 /nfs/dbraw/zinc/44/77/20/297447720.db2.gz XWAOUGHCBREUGE-KURKYZTESA-N 2 0 317.477 2.622 20 0 DFADRP C[NH2+][C@H](CC(C)(C)C)C(=O)N(CC[NH+](C)C)c1ccccc1 ZINC000449338621 297449082 /nfs/dbraw/zinc/44/90/82/297449082.db2.gz VYFOYDADHMAMML-MRXNPFEDSA-N 2 0 305.466 2.605 20 0 DFADRP CC1CCC([NH+]2CCN(C(=O)C[C@@H]3CCCC[C@@H]3[NH3+])CC2)CC1 ZINC000449350782 297451869 /nfs/dbraw/zinc/45/18/69/297451869.db2.gz NIUHWJZTCNLOAD-IKJBURDNSA-N 2 0 321.509 2.617 20 0 DFADRP C[NH+](C)CCCC(C)(C)[NH2+]Cc1cnnn1Cc1ccccc1 ZINC000449527763 297487262 /nfs/dbraw/zinc/48/72/62/297487262.db2.gz KUKVPMVTMHTCFZ-UHFFFAOYSA-N 2 0 315.465 2.536 20 0 DFADRP CC[NH+]1CCN(CC(C)(C)[NH2+]CCc2cccc(C)c2)CC1 ZINC000449743729 297524452 /nfs/dbraw/zinc/52/44/52/297524452.db2.gz ASAUFJAHEHBSOO-UHFFFAOYSA-N 2 0 303.494 2.543 20 0 DFADRP CC[NH+]1CCN(CC(C)(C)[NH2+]Cc2ccsc2Cl)CC1 ZINC000449744832 297524718 /nfs/dbraw/zinc/52/47/18/297524718.db2.gz KAWPUWYNDHEWDR-UHFFFAOYSA-N 2 0 315.914 2.907 20 0 DFADRP CCC(=O)CCC[NH+]1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000450708585 297672464 /nfs/dbraw/zinc/67/24/64/297672464.db2.gz NLVXKVDARJJGFU-UHFFFAOYSA-N 2 0 310.482 2.570 20 0 DFADRP c1nc(CC[NH+]2CCC(CCC[NH+]3CCOCC3)CC2)cs1 ZINC000450706996 297672724 /nfs/dbraw/zinc/67/27/24/297672724.db2.gz KMXWHXKIYVRUSP-UHFFFAOYSA-N 2 0 323.506 2.510 20 0 DFADRP COC1([C@H](C)[NH2+]CCC[NH+]2C[C@H](C)C[C@@H](C)C2)CCOCC1 ZINC000453055104 298057544 /nfs/dbraw/zinc/05/75/44/298057544.db2.gz DCPQYKFYNSPWCH-ZACQAIPSSA-N 2 0 312.498 2.528 20 0 DFADRP C[NH+](C)CCCN[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000453053757 298057672 /nfs/dbraw/zinc/05/76/72/298057672.db2.gz GRAQDHYUEMCKSR-VAMGGRTRSA-N 2 0 315.505 2.971 20 0 DFADRP C[C@H](Cc1cnccn1)[NH2+]CCCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000453069892 298059009 /nfs/dbraw/zinc/05/90/09/298059009.db2.gz ZJFJZZHRZNWTIN-BRWVUGGUSA-N 2 0 304.482 2.755 20 0 DFADRP CC[NH+]1CCN(CCC[NH2+]C2CCc3ccccc3CC2)CC1 ZINC000453073453 298059598 /nfs/dbraw/zinc/05/95/98/298059598.db2.gz GIWAXAFAKGRRTC-UHFFFAOYSA-N 2 0 315.505 2.551 20 0 DFADRP C[C@H](CO)C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H]2CCC[C@@H]21 ZINC000453087895 298060770 /nfs/dbraw/zinc/06/07/70/298060770.db2.gz JRGDJVVIACUYCE-AITUJVMLSA-N 2 0 302.462 2.648 20 0 DFADRP C[C@H](CCO)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000453108211 298062238 /nfs/dbraw/zinc/06/22/38/298062238.db2.gz JNKAHABANTXODC-NXWXRZEISA-N 2 0 302.462 2.790 20 0 DFADRP C[C@H](CN[C@@H]1CC[N@H+](Cc2ccccc2)[C@H]2CCC[C@H]21)[NH+](C)C ZINC000453117712 298064039 /nfs/dbraw/zinc/06/40/39/298064039.db2.gz ZNQQIKQNXSKDQL-MDNKFWRPSA-N 2 0 315.505 2.969 20 0 DFADRP CO[C@H](C[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@H]21)Cc1ccccc1 ZINC000453268236 298078722 /nfs/dbraw/zinc/07/87/22/298078722.db2.gz NTTYWVTYVNWTJK-INDMIFKZSA-N 2 0 302.462 2.707 20 0 DFADRP O[C@H]1C[C@@H]([NH2+][C@@H]2CCCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)C1 ZINC000453350768 298086102 /nfs/dbraw/zinc/08/61/02/298086102.db2.gz FDGIVFKIWFECLX-SWBPCFCJSA-N 2 0 314.473 2.790 20 0 DFADRP CCC1(C[NH2+][C@H](C)c2cccc(OCC[NH+](C)C)c2)COC1 ZINC000453390510 298089218 /nfs/dbraw/zinc/08/92/18/298089218.db2.gz YCYFSMNSTOWZMD-OAHLLOKOSA-N 2 0 306.450 2.704 20 0 DFADRP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+][C@@H]2CCC[C@H]2O)CC1 ZINC000453408296 298091067 /nfs/dbraw/zinc/09/10/67/298091067.db2.gz NEBDKQQTZJDCJQ-ATZDWAIDSA-N 2 0 302.462 2.585 20 0 DFADRP Cc1noc(C2CCC([NH2+]CCCC[N@@H+](C)C3CC3)CC2)n1 ZINC000453413881 298091673 /nfs/dbraw/zinc/09/16/73/298091673.db2.gz WQAVHSVMEOYGAC-UHFFFAOYSA-N 2 0 306.454 2.868 20 0 DFADRP CC[N@@H+]1CC[C@H]([NH2+][C@H](CO)Cc2ccc(C)c(C)c2)[C@@H](C)C1 ZINC000453411339 298091735 /nfs/dbraw/zinc/09/17/35/298091735.db2.gz AKEGPDLRVWXVPZ-WDSOQIARSA-N 2 0 304.478 2.527 20 0 DFADRP CC(C)(C)CC(C)(C)[NH+]1CCC([NH2+]C[C@]2(C)CCC(=O)N2)CC1 ZINC000453448181 298096901 /nfs/dbraw/zinc/09/69/01/298096901.db2.gz ZFKLHFSWKNYTDV-IBGZPJMESA-N 2 0 323.525 2.924 20 0 DFADRP Cc1ccc(C[C@H](CO)[NH2+][C@@H]2CC[N@@H+](C)[C@H]3CCC[C@H]32)cc1C ZINC000453455222 298097286 /nfs/dbraw/zinc/09/72/86/298097286.db2.gz UNANXVPYBQBFOW-WCIQWLHISA-N 2 0 316.489 2.669 20 0 DFADRP C[N@H+](CCCC[NH2+]Cc1cccc2c1OCCCO2)C1CC1 ZINC000453600232 298103642 /nfs/dbraw/zinc/10/36/42/298103642.db2.gz SACOIDOXSZWXSL-UHFFFAOYSA-N 2 0 304.434 2.812 20 0 DFADRP C[C@H](C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000245203772 298140167 /nfs/dbraw/zinc/14/01/67/298140167.db2.gz WARZNWOGQJTGIJ-HZSPNIEDSA-N 2 0 309.498 2.673 20 0 DFADRP Cc1cc(NC(=O)NCCCC[N@@H+](C)C2CC2)cn2ccnc12 ZINC000455610961 298389586 /nfs/dbraw/zinc/38/95/86/298389586.db2.gz FGAXRQXVQIRRTH-UHFFFAOYSA-N 2 0 315.421 2.639 20 0 DFADRP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)N(CC[NH+](C)C)Cc1ccsc1 ZINC000458195729 298881280 /nfs/dbraw/zinc/88/12/80/298881280.db2.gz CXXUMXFLXUCPMT-HUUCEWRRSA-N 2 0 323.506 2.511 20 0 DFADRP C[NH+](C)CCC[NH2+]C1CCC(CNC(=O)OC(C)(C)C)CC1 ZINC000495813578 299976679 /nfs/dbraw/zinc/97/66/79/299976679.db2.gz IKBPTBWTKVNKAK-UHFFFAOYSA-N 2 0 313.486 2.611 20 0 DFADRP C[C@@H]([NH2+]CC[C@@H]1CCC[NH2+]C1)c1cccc(N2CCOC2=O)c1 ZINC000496220283 300031857 /nfs/dbraw/zinc/03/18/57/300031857.db2.gz WTXVNOPIBHQLNR-CABCVRRESA-N 2 0 317.433 2.684 20 0 DFADRP C[C@H]([NH2+]CCC1=CC[NH2+]CC1)c1cccc(N2CCOC2=O)c1 ZINC000496528758 300076030 /nfs/dbraw/zinc/07/60/30/300076030.db2.gz RMJGJRGXMGHFMS-AWEZNQCLSA-N 2 0 315.417 2.604 20 0 DFADRP COC(=O)Nc1cccc(C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)c1 ZINC000496557435 300079910 /nfs/dbraw/zinc/07/99/10/300079910.db2.gz CEDNLEFVJRPFJF-GVDBMIGSSA-N 2 0 317.433 2.875 20 0 DFADRP C[C@H](CCCNC(=O)OC(C)(C)C)[NH2+]CCN1CC[C@@H](C)C1 ZINC000496582333 300083579 /nfs/dbraw/zinc/08/35/79/300083579.db2.gz JVDRLVSEGAGZOB-HUUCEWRRSA-N 2 0 313.486 2.611 20 0 DFADRP CC[NH2+]CCC[NH2+][C@H]1CCCN(C(=O)Oc2ccccc2)CC1 ZINC000497202011 300177550 /nfs/dbraw/zinc/17/75/50/300177550.db2.gz IPSRIKOWVZVBKU-INIZCTEOSA-N 2 0 319.449 2.629 20 0 DFADRP C[NH+](C)CCC[N@H+](C)C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000497304378 300188751 /nfs/dbraw/zinc/18/87/51/300188751.db2.gz LQYDDCPKBIMHTG-HNNXBMFYSA-N 2 0 313.486 2.517 20 0 DFADRP COCC[NH2+][C@@H]1CCCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000514092362 300259087 /nfs/dbraw/zinc/25/90/87/300259087.db2.gz FAVHWXNCUDXGAS-GUDVDZBRSA-N 2 0 302.462 2.913 20 0 DFADRP [NH3+][C@H](CCC(=O)N1CC[C@@H]([NH+]2CCCC2)C1)CC1CCCCC1 ZINC000515057244 300287757 /nfs/dbraw/zinc/28/77/57/300287757.db2.gz WOEFIRUGHSXBJY-QZTJIDSGSA-N 2 0 321.509 2.761 20 0 DFADRP C[C@H](C[C@H](C)[NH3+])[NH2+]Cc1ccc(OCC(F)(F)F)c(F)c1 ZINC000515061116 300287885 /nfs/dbraw/zinc/28/78/85/300287885.db2.gz SMNMGCWHJXGLSA-VHSXEESVSA-N 2 0 308.319 2.982 20 0 DFADRP CCc1[nH+]c2ccccc2c(N2C[C@@H]3[C@H](C2)OCC[N@@H+]3C)c1C ZINC000515082142 300289260 /nfs/dbraw/zinc/28/92/60/300289260.db2.gz OUCHEIIRMFOUQT-MSOLQXFVSA-N 2 0 311.429 2.625 20 0 DFADRP O=C(Nc1cccc(C[NH2+][C@@H]2CCC[NH2+]CC2)c1)c1ccncc1 ZINC000515139706 300292288 /nfs/dbraw/zinc/29/22/88/300292288.db2.gz VQEDRECYQIALGU-QGZVFWFLSA-N 2 0 324.428 2.566 20 0 DFADRP CC[NH2+]CCCNC(=O)c1ccc(C[N@H+](CC)C(C)C)cc1 ZINC000515299972 300298902 /nfs/dbraw/zinc/29/89/02/300298902.db2.gz WSCJBSBEGYJPHE-UHFFFAOYSA-N 2 0 305.466 2.646 20 0 DFADRP C[N@@H+]1CCC[C@@H](CNC(=O)CC[C@H]([NH3+])CC2CCCCC2)C1 ZINC000515654471 300316620 /nfs/dbraw/zinc/31/66/20/300316620.db2.gz SUGSTEDGBWPAJG-IRXDYDNUSA-N 2 0 309.498 2.522 20 0 DFADRP C[C@H]([NH3+])[C@H]1COCC[C@@H]1[NH2+]Cc1cccc(-c2cccnc2)c1 ZINC000516173918 300332575 /nfs/dbraw/zinc/33/25/75/300332575.db2.gz MUSKRZDQPKWMMW-KYNGSXCRSA-N 2 0 311.429 2.591 20 0 DFADRP c1cnc(Oc2ccc(C[NH2+][C@@H]3C[C@H]3C3CC[NH2+]CC3)cc2)cn1 ZINC000516423706 300342460 /nfs/dbraw/zinc/34/24/60/300342460.db2.gz SWFJEPXZVISRMD-ZWKOTPCHSA-N 2 0 324.428 2.747 20 0 DFADRP CCC[C@@H](C)[C@H]1CCC[N@@H+]1C[C@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC000516932080 300370473 /nfs/dbraw/zinc/37/04/73/300370473.db2.gz AIYODCVBARFQPD-LULLPPNCSA-N 2 0 304.478 2.818 20 0 DFADRP Cc1ccc(C[NH2+][C@@H]2CCC[C@H]([NH3+])C2)c(OC[C@@H]2CCOC2)c1 ZINC000517041741 300380729 /nfs/dbraw/zinc/38/07/29/300380729.db2.gz YSSIKYOIEHPZEY-BPQIPLTHSA-N 2 0 318.461 2.770 20 0 DFADRP Cc1ncc(C[NH2+]CCNc2ncc(Cl)cc2Cl)n1C ZINC000517395892 300395499 /nfs/dbraw/zinc/39/54/99/300395499.db2.gz UIEDVRGUEMDIBF-UHFFFAOYSA-N 2 0 314.220 2.632 20 0 DFADRP CCOC(=O)C1([C@H](C)[NH2+]C[C@H]2CC3CCC2CC3)CC[NH2+]CC1 ZINC000519156871 300445208 /nfs/dbraw/zinc/44/52/08/300445208.db2.gz WAVIPLMAGIONJO-ZGRYLRDCSA-N 2 0 322.493 2.724 20 0 DFADRP [NH3+][C@@H]1CCC[C@@H]([NH2+]CCOc2ccccc2C(F)(F)F)C1 ZINC000519833203 300481929 /nfs/dbraw/zinc/48/19/29/300481929.db2.gz BPPHHLUWBKDQPK-VXGBXAGGSA-N 2 0 302.340 2.944 20 0 DFADRP CCC[NH+]1CCC([NH2+][C@H]2CCC[C@H](c3ccnn3C)C2)CC1 ZINC000520720938 300506776 /nfs/dbraw/zinc/50/67/76/300506776.db2.gz DHHSRSNLNIQVFW-RDJZCZTQSA-N 2 0 304.482 2.910 20 0 DFADRP CC[NH+]1CCN([C@H](C)C[NH2+]Cc2ccc(C(F)F)cc2)CC1 ZINC000525980926 300615812 /nfs/dbraw/zinc/61/58/12/300615812.db2.gz RIKNFDXYQCOEMB-CQSZACIVSA-N 2 0 311.420 2.740 20 0 DFADRP C[C@H]([NH2+]Cc1ccncc1OCCC[NH+](C)C)[C@H]1CC12CC2 ZINC000527901673 300709233 /nfs/dbraw/zinc/70/92/33/300709233.db2.gz RVEVMNPOJJZPNQ-GOEBONIOSA-N 2 0 303.450 2.690 20 0 DFADRP CCO[C@@]1(C)C[C@H]1[NH2+][C@@H](C)c1ccc(OCC[NH+](C)C)cc1 ZINC000527974724 300720593 /nfs/dbraw/zinc/72/05/93/300720593.db2.gz OQCLATFSHWMSTD-QGTPRVQTSA-N 2 0 306.450 2.845 20 0 DFADRP C[C@H]([NH2+]C1CC[NH+](C[C@H]2CCOC2)CC1)C1CC(F)(F)C1 ZINC000529548243 300948818 /nfs/dbraw/zinc/94/88/18/300948818.db2.gz JLVJYEZFUFLCOW-QWHCGFSZSA-N 2 0 302.409 2.511 20 0 DFADRP C[C@@H]1[C@H](N[C@H]2CC[NH2+]C23CCC3)CCC[N@@H+]1Cc1ccccc1 ZINC000530216017 301029906 /nfs/dbraw/zinc/02/99/06/301029906.db2.gz LSFJFBSFSYNOBF-QRQLOZEOSA-N 2 0 313.489 2.914 20 0 DFADRP FC(F)(F)c1ncccc1C[N@@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000530219693 301030964 /nfs/dbraw/zinc/03/09/64/301030964.db2.gz HXFIKFUHGUZQFZ-STQMWFEESA-N 2 0 313.367 2.922 20 0 DFADRP Cc1ncccc1C[NH2+][C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000530219913 301031229 /nfs/dbraw/zinc/03/12/29/301031229.db2.gz KYJSBWLYWVYAGS-HKUYNNGSSA-N 2 0 309.413 2.736 20 0 DFADRP Fc1ccc(F)c(C[NH+]2CCC(CO[C@H]3CC[NH2+]C3)CC2)c1 ZINC000530238824 301033463 /nfs/dbraw/zinc/03/34/63/301033463.db2.gz CTCZRTBSMJIBGK-INIZCTEOSA-N 2 0 310.388 2.555 20 0 DFADRP CCc1ccc(C[NH+]2CCC(CO[C@H]3CC[NH2+]C3)CC2)cc1 ZINC000530238838 301033480 /nfs/dbraw/zinc/03/34/80/301033480.db2.gz DAPMSPZBGGFCHO-IBGZPJMESA-N 2 0 302.462 2.840 20 0 DFADRP C[C@@H](C[NH+]1CCC(CO[C@H]2CC[NH2+]C2)CC1)c1ccccc1 ZINC000530249792 301034205 /nfs/dbraw/zinc/03/42/05/301034205.db2.gz YVZOHXQANBZJLD-LPHOPBHVSA-N 2 0 302.462 2.881 20 0 DFADRP C[C@@H]1C[N@@H+](CCCC[NH2+]Cc2ccc3[nH]cnc3c2)C[C@H](C)O1 ZINC000530722859 301065009 /nfs/dbraw/zinc/06/50/09/301065009.db2.gz DAPMPMAEHLFJSY-GASCZTMLSA-N 2 0 316.449 2.542 20 0 DFADRP C[C@H]([NH2+]CCN1CC[C@H](C)C1)c1cccc(OCC[NH+](C)C)c1 ZINC000531728472 301106889 /nfs/dbraw/zinc/10/68/89/301106889.db2.gz XPIDXWPYACBTJL-IRXDYDNUSA-N 2 0 319.493 2.619 20 0 DFADRP C[C@H]([NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1)c1ccc2c(c1)CCC(=O)N2 ZINC000531940373 301119893 /nfs/dbraw/zinc/11/98/93/301119893.db2.gz USLIVLMAXLFWGD-KBPBESRZSA-N 2 0 313.445 2.706 20 0 DFADRP COc1cc(C[NH2+][C@@H]2CC[N@H+](C)C[C@@H]2C)ccc1OC(F)F ZINC000531945246 301120677 /nfs/dbraw/zinc/12/06/77/301120677.db2.gz PBAUKEZNBSNDPY-WCQYABFASA-N 2 0 314.376 2.726 20 0 DFADRP COc1cc(C)ccc1[C@@H](C)[NH2+]CCCC[N@@H+]1CCC[C@H]1CO ZINC000531970035 301122145 /nfs/dbraw/zinc/12/21/45/301122145.db2.gz BAVNPBLWZPZBAM-SJORKVTESA-N 2 0 320.477 2.891 20 0 DFADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CCc2ccc(C)o2)[C@@H](C)C1 ZINC000532195813 301135792 /nfs/dbraw/zinc/13/57/92/301135792.db2.gz JCZNFLLDPLOLFZ-MAUKXSAKSA-N 2 0 308.466 2.857 20 0 DFADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]CCc2ccc(C)o2)[C@@H](C)C1 ZINC000532195815 301135800 /nfs/dbraw/zinc/13/58/00/301135800.db2.gz JCZNFLLDPLOLFZ-YJBOKZPZSA-N 2 0 308.466 2.857 20 0 DFADRP Cc1ccccc1NC(=O)C[C@H](C)[NH2+][C@@H]1CCN(C)[C@@H](C)C1 ZINC000532525263 301158290 /nfs/dbraw/zinc/15/82/90/301158290.db2.gz ITXQEDKHYWRWLT-HRCADAONSA-N 2 0 303.450 2.784 20 0 DFADRP C[N@H+](C[C@@H]1CCCOC1)[C@@H]1CCC[NH+](C[C@H]2CCCOC2)CC1 ZINC000533606412 301210032 /nfs/dbraw/zinc/21/00/32/301210032.db2.gz GTBOEDOMYNCUTA-IPMKNSEASA-N 2 0 324.509 2.626 20 0 DFADRP CCC(CC)NC(=O)[C@@H](C)[NH+]1CCC(Nc2ccccn2)CC1 ZINC000534862775 301238903 /nfs/dbraw/zinc/23/89/03/301238903.db2.gz PTYATGQKKURUNJ-CQSZACIVSA-N 2 0 318.465 2.651 20 0 DFADRP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+][C@@]1(C)CCO[C@@H]1C1CC1 ZINC000541384531 301385637 /nfs/dbraw/zinc/38/56/37/301385637.db2.gz VEPBQARATMWDDX-MSOLQXFVSA-N 2 0 312.417 2.623 20 0 DFADRP COc1cc(C)ccc1[C@H](C)[NH2+][C@@H](C)CCN1CC[NH+](C)CC1 ZINC000546017030 301489176 /nfs/dbraw/zinc/48/91/76/301489176.db2.gz DGHPEHCYTXTBCM-IRXDYDNUSA-N 2 0 319.493 2.680 20 0 DFADRP C[NH+]1CCN(C[C@@H]([NH2+][C@H]2CCC23CCC3)c2ccccc2)CC1 ZINC000548861164 301619601 /nfs/dbraw/zinc/61/96/01/301619601.db2.gz MZVDVFDKTSKVLU-MOPGFXCFSA-N 2 0 313.489 2.897 20 0 DFADRP O=C(C[NH2+][C@@H]1CCCC[C@@H]1C1CC1)NCC[NH+]1CCCCCC1 ZINC000552279471 301688561 /nfs/dbraw/zinc/68/85/61/301688561.db2.gz MBAZCMCOUHRDNQ-QZTJIDSGSA-N 2 0 321.509 2.537 20 0 DFADRP Cc1oc2ccccc2c1CN(CC[NH+](C)C)CC[NH+](C)C ZINC000554875427 301755654 /nfs/dbraw/zinc/75/56/54/301755654.db2.gz CKSHSXVFUYUULI-UHFFFAOYSA-N 2 0 303.450 2.666 20 0 DFADRP CC(C)OCCOC1CC[NH+](C2CC[NH+](CC3CC3)CC2)CC1 ZINC000562784217 302002018 /nfs/dbraw/zinc/00/20/18/302002018.db2.gz LLBIAYXGNSSHCJ-UHFFFAOYSA-N 2 0 324.509 2.767 20 0 DFADRP CCOC(=O)c1oc2c(c1C)[C@@H]([NH2+]CC1CC[NH2+]CC1)CCC2 ZINC000562956071 302017368 /nfs/dbraw/zinc/01/73/68/302017368.db2.gz CLXGRHMHGJZOJX-AWEZNQCLSA-N 2 0 320.433 2.731 20 0 DFADRP C[C@@H]([NH2+]CCc1nc(C(F)(F)F)cs1)[C@H]1CCC[NH2+]C1 ZINC000562958961 302017912 /nfs/dbraw/zinc/01/79/12/302017912.db2.gz GDISFHLASRJWQC-ZJUUUORDSA-N 2 0 307.385 2.682 20 0 DFADRP Cc1noc(C[C@H]([NH2+]C2CCC(C[NH3+])CC2)c2ccccc2)n1 ZINC000562957117 302018139 /nfs/dbraw/zinc/01/81/39/302018139.db2.gz ZGZFIAJDAUPVLY-PREGVCBESA-N 2 0 314.433 2.769 20 0 DFADRP CC1CC[NH+](C2CCC([NH2+]C[C@](C)(O)C(F)(F)F)CC2)CC1 ZINC000562997245 302023504 /nfs/dbraw/zinc/02/35/04/302023504.db2.gz RBWWQRNLKFXTGR-NRXISQOPSA-N 2 0 322.415 2.932 20 0 DFADRP [NH3+][C@@H]1CCC[C@@H]([NH2+][C@H]2CCCN(c3ccccc3Cl)C2=O)C1 ZINC000563423730 302071270 /nfs/dbraw/zinc/07/12/70/302071270.db2.gz IWTIPSSLBFVCJP-NFAWXSAZSA-N 2 0 321.852 2.695 20 0 DFADRP [NH3+][C@H]1CCC[C@@H]([NH2+]Cc2cc(F)cc(Br)c2)C1 ZINC000563427383 302071806 /nfs/dbraw/zinc/07/18/06/302071806.db2.gz YGDDFZPYCXIURD-QWHCGFSZSA-N 2 0 301.203 2.948 20 0 DFADRP C[C@H](c1ccccc1)[C@H](O)C[NH2+]CCN(C)Cc1ccccc1 ZINC000563861118 302103941 /nfs/dbraw/zinc/10/39/41/302103941.db2.gz KCWXVNLPFANXNH-YLJYHZDGSA-N 2 0 312.457 2.873 20 0 DFADRP CC[NH2+]Cc1ccccc1NC(=O)C[C@H]([NH3+])Cc1ccccc1 ZINC000564308894 302127582 /nfs/dbraw/zinc/12/75/82/302127582.db2.gz PZSOHYIALHQLIN-QGZVFWFLSA-N 2 0 311.429 2.695 20 0 DFADRP Cn1ccc(CC[NH2+][C@H]2CCN(Cc3ccccc3)C3(CC3)C2)n1 ZINC000564655964 302148143 /nfs/dbraw/zinc/14/81/43/302148143.db2.gz PLGHJCZWYWMQPQ-IBGZPJMESA-N 2 0 324.472 2.749 20 0 DFADRP COc1ccc([C@H](C)[C@H](C)[NH2+]CC2CC[NH2+]CC2)cc1OC ZINC000564791898 302159302 /nfs/dbraw/zinc/15/93/02/302159302.db2.gz YSPZBRKVROFOKL-KGLIPLIRSA-N 2 0 306.450 2.785 20 0 DFADRP CC(C)OCC[C@@H](O)C[NH2+]Cc1ccccc1C[NH+]1CCCC1 ZINC000564846349 302163816 /nfs/dbraw/zinc/16/38/16/302163816.db2.gz LZOMYDMPVZZHKI-LJQANCHMSA-N 2 0 320.477 2.548 20 0 DFADRP CC(C)C[N@@H+]1CC[C@@H](C[NH2+]C[C@H](O)CCc2ccccc2)C1 ZINC000564850278 302164331 /nfs/dbraw/zinc/16/43/31/302164331.db2.gz RUSAMNFJPDSPCM-RBUKOAKNSA-N 2 0 304.478 2.548 20 0 DFADRP Cc1nn(-c2ccc(F)cc2)c(C)c1C[NH2+][C@H](C)C[C@@H](C)[NH3+] ZINC000564973746 302178355 /nfs/dbraw/zinc/17/83/55/302178355.db2.gz QRFLTVVCYHXPTR-VXGBXAGGSA-N 2 0 304.413 2.844 20 0 DFADRP COc1ccc([C@@H](C[NH3+])C[N@@H+]2CC[C@H](c3cccnc3)C2)cc1 ZINC000564989679 302179463 /nfs/dbraw/zinc/17/94/63/302179463.db2.gz WXADCXZFBUJJFX-ROUUACIJSA-N 2 0 311.429 2.622 20 0 DFADRP C[C@H]1CCCC[N@@H+]1Cc1ccc(NC(=O)[C@H]2C[C@@H]([NH3+])C2)cc1 ZINC000565031088 302186037 /nfs/dbraw/zinc/18/60/37/302186037.db2.gz ZTIFVFGGLVTENQ-CWRNSKLLSA-N 2 0 301.434 2.737 20 0 DFADRP C[C@@H]1CCCC[N@@H+]1Cc1ccc(NC(=O)[C@H]2C[C@@H]([NH3+])C2)cc1 ZINC000565031086 302186048 /nfs/dbraw/zinc/18/60/48/302186048.db2.gz ZTIFVFGGLVTENQ-BMFZPTHFSA-N 2 0 301.434 2.737 20 0 DFADRP Cc1ccc(C[N@H+]2CC[C@@H](CN(C)Cc3cc[nH]n3)C2)s1 ZINC000565046727 302188495 /nfs/dbraw/zinc/18/84/95/302188495.db2.gz BECWILUXGUIVBK-AWEZNQCLSA-N 2 0 304.463 2.734 20 0 DFADRP CC(C)COC1CC[NH+](Cc2ccc3c(c2)C[NH2+]CC3)CC1 ZINC000565093075 302193358 /nfs/dbraw/zinc/19/33/58/302193358.db2.gz JFOVTXHCRAYQDH-UHFFFAOYSA-N 2 0 302.462 2.969 20 0 DFADRP COc1ccc([C@H](CN[C@H]2CCC[C@H]([NH3+])C2)[NH+]2CCCC2)cc1 ZINC000565225298 302209863 /nfs/dbraw/zinc/20/98/63/302209863.db2.gz CGPZHGHBGNUYID-LNLFQRSKSA-N 2 0 317.477 2.692 20 0 DFADRP CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)CC[C@H]([NH3+])c1ccccc1 ZINC000565299497 302216367 /nfs/dbraw/zinc/21/63/67/302216367.db2.gz VKEMDBLJUWAKMD-MSOLQXFVSA-N 2 0 317.477 2.703 20 0 DFADRP c1ccc(CN2CC[C@@H]([NH2+]C[C@@H]3CCCO3)CC23CC3)cc1 ZINC000565304460 302216707 /nfs/dbraw/zinc/21/67/07/302216707.db2.gz ZBYFCQLLEBUACA-MSOLQXFVSA-N 2 0 300.446 2.952 20 0 DFADRP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1[NH2+]CCCc1cncn1C ZINC000566017424 302253844 /nfs/dbraw/zinc/25/38/44/302253844.db2.gz VVJDSJHGYQDOBJ-WMZOPIPTSA-N 2 0 306.498 2.843 20 0 DFADRP C[C@H](c1ccncc1)[NH+]1CCC(N[C@H]2CCCCC[C@@H]2[NH3+])CC1 ZINC000566090770 302258464 /nfs/dbraw/zinc/25/84/64/302258464.db2.gz LTRCTXKMMPLNLO-MNEFBYGVSA-N 2 0 316.493 2.857 20 0 DFADRP Cc1ccncc1[C@H](C)[NH2+]CCCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000271352362 302295242 /nfs/dbraw/zinc/29/52/42/302295242.db2.gz DLLVJNGZWBOHHS-ZACQAIPSSA-N 2 0 305.466 2.930 20 0 DFADRP C[C@@H]1CCC[N@H+](CCCC[NH2+]C[C@H](O)Cc2ccccc2)C1 ZINC000566614937 302298941 /nfs/dbraw/zinc/29/89/41/302298941.db2.gz AYZTWFHIKAARQT-IEBWSBKVSA-N 2 0 304.478 2.692 20 0 DFADRP CC[C@H](c1ccccc1)[C@@H]1CCC[N@@H+]1C[C@@H](O)C[NH+](C)CC ZINC000566686173 302304444 /nfs/dbraw/zinc/30/44/44/302304444.db2.gz BYTSJAYJMCEJBX-OTWHNJEPSA-N 2 0 304.478 2.957 20 0 DFADRP CSC[C@H](O)C[NH2+]CC[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000566733109 302307665 /nfs/dbraw/zinc/30/76/65/302307665.db2.gz MMSCTPQHBJCQJQ-KBAYOESNSA-N 2 0 322.518 2.601 20 0 DFADRP CSC[C@H](O)C[NH2+]CC[C@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000566733099 302307950 /nfs/dbraw/zinc/30/79/50/302307950.db2.gz MMSCTPQHBJCQJQ-BPQIPLTHSA-N 2 0 322.518 2.601 20 0 DFADRP CC[NH+]1CCC(C[NH2+][C@H]2CCC(=O)Nc3ccccc32)CC1 ZINC000566939658 302323156 /nfs/dbraw/zinc/32/31/56/302323156.db2.gz ASMJVHJEGOJIDT-INIZCTEOSA-N 2 0 301.434 2.782 20 0 DFADRP CO[C@@H]1CC[NH+](CCCC[N@H+]2CC[C@H](OC)C[C@@H]2C)[C@H](C)C1 ZINC000567064080 302333077 /nfs/dbraw/zinc/33/30/77/302333077.db2.gz TWUBXXWEDDIMMR-USTZCAOPSA-N 2 0 312.498 2.765 20 0 DFADRP CC[NH2+]CCC[NH2+]C1CCN(Cc2ccccc2Cl)CC1 ZINC000567259630 302345519 /nfs/dbraw/zinc/34/55/19/302345519.db2.gz GIDABBMJFVRIIH-UHFFFAOYSA-N 2 0 309.885 2.894 20 0 DFADRP C[NH+](C)Cc1ccc(C[NH2+]C[C@@H](O)Cc2ccc(F)cc2)cc1 ZINC000567324592 302349705 /nfs/dbraw/zinc/34/97/05/302349705.db2.gz FXKUZXVSMKTYMJ-IBGZPJMESA-N 2 0 316.420 2.581 20 0 DFADRP C[C@H]([NH2+]CCc1cccc(C(F)(F)F)n1)[C@@H]1CCC[NH2+]C1 ZINC000567490146 302363938 /nfs/dbraw/zinc/36/39/38/302363938.db2.gz VVCTVFRSGZHEJQ-NWDGAFQWSA-N 2 0 301.356 2.621 20 0 DFADRP Cc1ccc(NC(=O)C[C@H](C)[NH2+]CC2CC[NH2+]CC2)c(C)c1 ZINC000567638511 302375521 /nfs/dbraw/zinc/37/55/21/302375521.db2.gz ODFIDUPFQSDRKC-HNNXBMFYSA-N 2 0 303.450 2.610 20 0 DFADRP COc1ccccc1OC[C@H](C)C[NH2+][C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000567646077 302376017 /nfs/dbraw/zinc/37/60/17/302376017.db2.gz SDGWKRRZBVZIQB-PMPSAXMXSA-N 2 0 306.450 2.688 20 0 DFADRP C[C@H]([NH2+][C@H]1CCN(c2cccc(Cl)c2)C1)[C@@H]1CCC[NH2+]C1 ZINC000567641188 302376067 /nfs/dbraw/zinc/37/60/67/302376067.db2.gz KHMJRKMZEIJEMZ-LZWOXQAQSA-N 2 0 307.869 2.896 20 0 DFADRP Cc1ccc(NC(=O)C[C@H](C)[NH2+]CC2=CC[NH2+]CC2)cc1Cl ZINC000567654257 302376482 /nfs/dbraw/zinc/37/64/82/302376482.db2.gz IDWISWYJAWTPHJ-ZDUSSCGKSA-N 2 0 321.852 2.875 20 0 DFADRP C[C@@H](C[NH2+]CCC(=O)Nc1ccccc1)C[NH+]1CCCCC1 ZINC000567678289 302378366 /nfs/dbraw/zinc/37/83/66/302378366.db2.gz OZXWAZDJBBEMQG-INIZCTEOSA-N 2 0 303.450 2.727 20 0 DFADRP C[C@@H]1CCCC[C@H]1C(=O)Nc1c[nH+]ccc1N1CCN(C)CC1 ZINC000567687345 302379912 /nfs/dbraw/zinc/37/99/12/302379912.db2.gz AVKRDVYYAKKTIL-HUUCEWRRSA-N 2 0 316.449 2.598 20 0 DFADRP C[C@@H]([NH2+]CC1CC[NH+](Cc2cccs2)CC1)[C@H]1CCC[NH2+]C1 ZINC000570199927 302561181 /nfs/dbraw/zinc/56/11/81/302561181.db2.gz FXQPSZUOTZSLFH-WBVHZDCISA-N 3 0 321.534 2.938 20 0 DFADRP COc1cc2c(cc1F)[nH+]ccc2N1CCC(CC[NH3+])CC1 ZINC000570688291 302587420 /nfs/dbraw/zinc/58/74/20/302587420.db2.gz YPEALZLDUCNADH-UHFFFAOYSA-N 2 0 303.381 2.948 20 0 DFADRP CC[NH+]1CCC(C[NH2+][C@H]2CCC[C@@H](c3ccnn3C)C2)CC1 ZINC000571508507 302620480 /nfs/dbraw/zinc/62/04/80/302620480.db2.gz CNAQZVVNIWWNEO-SJORKVTESA-N 2 0 304.482 2.768 20 0 DFADRP CC[NH+]1CCC(C[NH2+][C@@H]2CCC[C@H](c3ccnn3C)C2)CC1 ZINC000571508504 302620552 /nfs/dbraw/zinc/62/05/52/302620552.db2.gz CNAQZVVNIWWNEO-DLBZAZTESA-N 2 0 304.482 2.768 20 0 DFADRP CC[NH2+]CCC[NH2+][C@H](C)c1ccc(NC(=O)NC(C)C)cc1 ZINC000572026504 302640736 /nfs/dbraw/zinc/64/07/36/302640736.db2.gz NYXJIZXQZBFINK-CQSZACIVSA-N 2 0 306.454 2.867 20 0 DFADRP Cc1ncc([C@H](C)[NH2+]CCCC[NH+]2C[C@H](C)O[C@@H](C)C2)c(C)n1 ZINC000358032946 302703526 /nfs/dbraw/zinc/70/35/26/302703526.db2.gz DSGBYCPFGMZWMV-KKUMJFAQSA-N 2 0 320.481 2.633 20 0 DFADRP Cc1ccc(NC(=O)C[C@@H](C)[NH2+]CC2CC[NH2+]CC2)cc1Cl ZINC000573830960 302726169 /nfs/dbraw/zinc/72/61/69/302726169.db2.gz VJACPYFLDIEGNI-CYBMUJFWSA-N 2 0 323.868 2.955 20 0 DFADRP COc1ccc(C[NH+]2CCC([C@H]3OCCC[C@@H]3[NH3+])CC2)c(F)c1 ZINC000574044627 302737771 /nfs/dbraw/zinc/73/77/71/302737771.db2.gz JIRVFLHOMBPMAK-ZWKOTPCHSA-N 2 0 322.424 2.553 20 0 DFADRP [NH3+][C@H]1CCC[C@H](C(=O)NCC2([NH+]3CCCCC3)CCCCC2)C1 ZINC000238039464 303485527 /nfs/dbraw/zinc/48/55/27/303485527.db2.gz FVBVXEHDUGUHLC-IRXDYDNUSA-N 2 0 321.509 2.809 20 0 DFADRP C[C@@H](CCc1ccccc1)[N@H+](C)CCN(C)C1CC[NH+](C)CC1 ZINC000180940639 316047290 /nfs/dbraw/zinc/04/72/90/316047290.db2.gz MVSMOLIJGGLBJX-SFHVURJKSA-N 2 0 317.521 2.966 20 0 DFADRP CC(C)[N@@H+]1CCCC[C@H]1C(=O)NCC[C@@H](C)[NH+]1CCCCC1 ZINC000182234120 316092081 /nfs/dbraw/zinc/09/20/81/316092081.db2.gz SSSOOKCXDAVXFA-SJORKVTESA-N 2 0 309.498 2.630 20 0 DFADRP C[C@@H]([NH2+]CCC(=O)NC1CCCC1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185749734 316191219 /nfs/dbraw/zinc/19/12/19/316191219.db2.gz HEKGKQKZRAETCX-HZPDHXFCSA-N 2 0 321.509 2.678 20 0 DFADRP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@@H]1CC[C@@H](c2ccccc2)C1 ZINC000275466157 316232511 /nfs/dbraw/zinc/23/25/11/316232511.db2.gz IILIHDBVYOFJGK-BHIYHBOVSA-N 2 0 301.478 2.548 20 0 DFADRP C[C@H](CC[NH+](C)C)[NH2+][C@H]1CCC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000299988604 316235916 /nfs/dbraw/zinc/23/59/16/316235916.db2.gz RTLFSPLVAGXDDX-ILXRZTDVSA-N 2 0 313.486 2.752 20 0 DFADRP CC[NH+]1CCC(C[NH2+][C@@H](C)c2ccc3c(c2)OCCO3)CC1 ZINC000314951574 316241300 /nfs/dbraw/zinc/24/13/00/316241300.db2.gz NFVAWPKAIWHIEA-AWEZNQCLSA-N 2 0 304.434 2.840 20 0 DFADRP COc1cc2c(cc1C[NH+]1CCC([C@@H](C)[NH3+])CC1)O[C@H](C)C2 ZINC000317053797 316247430 /nfs/dbraw/zinc/24/74/30/316247430.db2.gz XGHOBTRNSCQBHB-CHWSQXEVSA-N 2 0 304.434 2.578 20 0 DFADRP c1ccc(N2CC[NH+](Cc3ccc4c(c3)C[NH2+]CC4)CC2)cc1 ZINC000321894617 316257838 /nfs/dbraw/zinc/25/78/38/316257838.db2.gz MCGCBIZANRKABD-UHFFFAOYSA-N 2 0 307.441 2.655 20 0 DFADRP Cc1ccc([C@H](C)[NH2+]CCC[N@@H+]2CCC[C@@H](C(N)=O)C2)cc1C ZINC000346086995 316318090 /nfs/dbraw/zinc/31/80/90/316318090.db2.gz UANYKXCDKRKXKS-FUHWJXTLSA-N 2 0 317.477 2.541 20 0 DFADRP C[C@@H](CCN1CC[NH+](C)CC1)[NH2+][C@H]1CCc2ccc(Cl)cc21 ZINC000349406924 316357201 /nfs/dbraw/zinc/35/72/01/316357201.db2.gz IJMZNFSAKOZJMR-KSSFIOAISA-N 2 0 321.896 2.943 20 0 DFADRP C[NH+]1CCN(CCC(C)(C)[NH2+]C/C=C\c2ccccc2)CC1 ZINC000349849506 316369616 /nfs/dbraw/zinc/36/96/16/316369616.db2.gz JGQISMIKTNHJMQ-YFHOEESVSA-N 2 0 301.478 2.706 20 0 DFADRP CC(C)CC[C@@H]([NH2+][C@H](C)CN1CC[NH+](C)CC1)c1ccoc1 ZINC000353498682 316522771 /nfs/dbraw/zinc/52/27/71/316522771.db2.gz AXTLZRYUUJLILS-SJLPKXTDSA-N 2 0 307.482 2.982 20 0 DFADRP Cc1sccc1C[NH+]1CCC(C[NH+]2CCN(C)CC2)CC1 ZINC000353506109 316524811 /nfs/dbraw/zinc/52/48/11/316524811.db2.gz WTFHBOBTKFIGGI-UHFFFAOYSA-N 2 0 307.507 2.516 20 0 DFADRP CC[C@H]([NH2+]C1CC[NH+](CC(C)C)CC1)C1(C(=O)OC)CCC1 ZINC000353509111 316526178 /nfs/dbraw/zinc/52/61/78/316526178.db2.gz YXXVTNKAFXMLHZ-INIZCTEOSA-N 2 0 310.482 2.818 20 0 DFADRP CC(C)c1nc(C2([NH2+]C[C@H]3CC[NH2+][C@@H](C)C3)CCCC2)no1 ZINC000414703429 316637087 /nfs/dbraw/zinc/63/70/87/316637087.db2.gz JAFYTTNOPFFHMH-KBPBESRZSA-N 2 0 306.454 2.940 20 0 DFADRP Cc1nc(COc2ccc(C[NH2+]C3CC[NH2+]CC3)cc2)cs1 ZINC000414783095 316653652 /nfs/dbraw/zinc/65/36/52/316653652.db2.gz GCMPDOKHMYUJJG-UHFFFAOYSA-N 2 0 317.458 2.872 20 0 DFADRP [NH3+]C[C@H]1CCC[C@H]1[NH2+]Cc1ccc(OCC(F)(F)F)cc1 ZINC000414786021 316655387 /nfs/dbraw/zinc/65/53/87/316655387.db2.gz APWIMKWASHMULO-TZMCWYRMSA-N 2 0 302.340 2.845 20 0 DFADRP CCOc1cc(C[NH2+][C@H]2CCC[C@@H]2C[NH3+])ccc1OC(F)F ZINC000414788637 316657258 /nfs/dbraw/zinc/65/72/58/316657258.db2.gz DROLWSMRUBNGGO-OLZOCXBDSA-N 2 0 314.376 2.904 20 0 DFADRP COc1cc(C[NH2+][C@H]2CCC[C@@H]2C[NH3+])c(SC)cc1OC ZINC000414792479 316658886 /nfs/dbraw/zinc/65/88/86/316658886.db2.gz IYRHNSHGVNZDKZ-YPMHNXCESA-N 2 0 310.463 2.643 20 0 DFADRP [NH3+][C@@H]1CCO[C@H]1C1CC[NH+](Cc2ccc(F)cc2Cl)CC1 ZINC000414796169 316660872 /nfs/dbraw/zinc/66/08/72/316660872.db2.gz XJXMSVRSUNJHCX-CVEARBPZSA-N 2 0 312.816 2.807 20 0 DFADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccc(OC[C@@H]2CCCO2)cc1 ZINC000414800863 316662288 /nfs/dbraw/zinc/66/22/88/316662288.db2.gz LMWSVINIJDFEPM-WDSOQIARSA-N 2 0 318.461 2.852 20 0 DFADRP [NH3+]C[C@H]1CCC[C@@H]1[NH2+]Cc1cc(Cl)c2c(c1)OCCCO2 ZINC000414800140 316662379 /nfs/dbraw/zinc/66/23/79/316662379.db2.gz RVAHKBRZLIRYGM-OCCSQVGLSA-N 2 0 310.825 2.718 20 0 DFADRP COc1c(Br)cccc1C[NH2+][C@@H]1CCC[C@@H]1C[NH3+] ZINC000414801318 316662587 /nfs/dbraw/zinc/66/25/87/316662587.db2.gz LTZOJJFLEDDLOG-ZWNOBZJWSA-N 2 0 313.239 2.675 20 0 DFADRP COc1ccc2nc(C[NH2+][C@@H]3CCCC[C@@H]3C[NH3+])sc2c1 ZINC000414801495 316662842 /nfs/dbraw/zinc/66/28/42/316662842.db2.gz LXEARESCVALOEK-DGCLKSJQSA-N 2 0 305.447 2.912 20 0 DFADRP Cc1csc(N2CCC([NH2+][C@H]3CCCC[C@@H]3C[NH3+])CC2)n1 ZINC000414811898 316665326 /nfs/dbraw/zinc/66/53/26/316665326.db2.gz WWRYVRNKVJPXRL-HIFRSBDPSA-N 2 0 308.495 2.527 20 0 DFADRP CCOc1c(OC)cc(C[NH2+][C@@H]2CCCC[C@@H]2C[NH3+])cc1OC ZINC000414813498 316666114 /nfs/dbraw/zinc/66/61/14/316666114.db2.gz YKHUSXFBSCDWJR-HUUCEWRRSA-N 2 0 322.449 2.710 20 0 DFADRP C[C@H]([NH3+])c1ccc(C(=O)N[C@@H](CCC[NH3+])c2ccccc2)cc1 ZINC000423962621 316786927 /nfs/dbraw/zinc/78/69/27/316786927.db2.gz FHGSTRHYRCXLET-KSSFIOAISA-N 2 0 311.429 2.916 20 0 DFADRP CC[C@H](NC(=O)CCC[NH+]1CCC([NH3+])CC1)c1cccs1 ZINC000433145313 316880757 /nfs/dbraw/zinc/88/07/57/316880757.db2.gz PQBAKGKVJDFMSA-AWEZNQCLSA-N 2 0 309.479 2.519 20 0 DFADRP [NH3+]C1CC[NH+](CCCC(=O)N2CCCC3(CCCCC3)C2)CC1 ZINC000433154742 316882908 /nfs/dbraw/zinc/88/29/08/316882908.db2.gz UTTLWWDQXNRCTP-UHFFFAOYSA-N 2 0 321.509 2.763 20 0 DFADRP CC[NH+](CC)[C@H](C(=O)NC[C@H]1CCC[C@H]([NH3+])C1)c1ccccc1 ZINC000449643195 317046717 /nfs/dbraw/zinc/04/67/17/317046717.db2.gz HROZYSQAHCMUBY-SZMVWBNQSA-N 2 0 317.477 2.703 20 0 DFADRP CC(C)[C@@H](C(=O)Nc1ccc2c(c1)C[NH2+]C2)[NH+]1CCCCC1 ZINC000449667383 317049777 /nfs/dbraw/zinc/04/97/77/317049777.db2.gz FRMRHFPOJJMQDZ-KRWDZBQOSA-N 2 0 301.434 2.739 20 0 DFADRP CCC[NH+]1CCC(C[NH2+][C@H]2COc3ccc(OC)cc3C2)CC1 ZINC000453101856 317162683 /nfs/dbraw/zinc/16/26/83/317162683.db2.gz AELQMDWBTXJRRX-QGZVFWFLSA-N 2 0 318.461 2.710 20 0 DFADRP CCC[NH+]1CCC(C[NH2+][C@@H]2COc3ccc(OC)cc3C2)CC1 ZINC000453101855 317162704 /nfs/dbraw/zinc/16/27/04/317162704.db2.gz AELQMDWBTXJRRX-KRWDZBQOSA-N 2 0 318.461 2.710 20 0 DFADRP CN(C)CC[NH+]1CCC(C[NH2+][C@H](C2CC2)C2CCCC2)CC1 ZINC000453105492 317163449 /nfs/dbraw/zinc/16/34/49/317163449.db2.gz HOCWRRFQTZSJHJ-IBGZPJMESA-N 2 0 307.526 2.818 20 0 DFADRP CC[C@H]([NH2+]C1CC[NH+](C[C@@H]2CCOC2)CC1)c1ccncc1 ZINC000453106441 317163600 /nfs/dbraw/zinc/16/36/00/317163600.db2.gz DKMPIQNVPFEWIV-YJBOKZPZSA-N 2 0 303.450 2.623 20 0 DFADRP CC(C)CC[NH+]1CCC(C[NH2+][C@@H](C)Cc2cnccn2)CC1 ZINC000453127709 317164238 /nfs/dbraw/zinc/16/42/38/317164238.db2.gz LUFFUPRAWGXFAA-INIZCTEOSA-N 2 0 304.482 2.755 20 0 DFADRP O[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+][C@@H](C2CC2)C2CCC2)CC1 ZINC000453161523 317166760 /nfs/dbraw/zinc/16/67/60/317166760.db2.gz ONPKNLRDMDADNI-IPMKNSEASA-N 2 0 306.494 2.923 20 0 DFADRP Cc1cnc(CC[NH2+]C2CC[NH+]([C@@H]3CCCC[C@@H]3C)CC2)cn1 ZINC000453395870 317183094 /nfs/dbraw/zinc/18/30/94/317183094.db2.gz HZEBYUJYOLIVFB-HNAYVOBHSA-N 2 0 316.493 2.960 20 0 DFADRP C[NH+]1CCC([C@@H]2CC[N@H+](Cc3cnc(C4CC4)nc3)C2)CC1 ZINC000459549654 317328612 /nfs/dbraw/zinc/32/86/12/317328612.db2.gz FWUWZXKUFOJORU-QGZVFWFLSA-N 2 0 300.450 2.518 20 0 DFADRP CCC[C@H](C(=O)NC[C@@H]1CCC[N@@H+]1CC1CCCCC1)[NH+](C)C ZINC000488240231 317378561 /nfs/dbraw/zinc/37/85/61/317378561.db2.gz SCFBMPVNFPJMAC-ZWKOTPCHSA-N 2 0 323.525 2.878 20 0 DFADRP CC[NH+]1CCN(Cc2ccc(C[NH2+]C[C@@H]3C[C@@H]3C)cc2)CC1 ZINC000488412032 317390771 /nfs/dbraw/zinc/39/07/71/317390771.db2.gz KXXGCFKPCFYZJT-LPHOPBHVSA-N 2 0 301.478 2.570 20 0 DFADRP C[NH+](C)CCN1CCC([NH2+]Cc2ccc3c(c2)CCCC3)CC1 ZINC000490585683 317525363 /nfs/dbraw/zinc/52/53/63/317525363.db2.gz YQPJLGJGWOBOMS-UHFFFAOYSA-N 2 0 315.505 2.681 20 0 DFADRP C[NH+](C)C[C@H](N[C@@H]1CC[NH2+]C1)c1ccc(Cl)c(Cl)c1 ZINC000530221436 317776613 /nfs/dbraw/zinc/77/66/13/317776613.db2.gz FMWOQQIJZCLZCZ-RISCZKNCSA-N 2 0 302.249 2.548 20 0 DFADRP Cc1ccc(F)cc1C[NH+]1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000530240471 317777974 /nfs/dbraw/zinc/77/79/74/317777974.db2.gz LTWRJFCTZLDMLT-GOSISDBHSA-N 2 0 306.425 2.725 20 0 DFADRP C[C@H](c1ccccc1F)[NH+]1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000530240954 317777982 /nfs/dbraw/zinc/77/79/82/317777982.db2.gz OGOHVFNXZRJIOL-ZBFHGGJFSA-N 2 0 306.425 2.977 20 0 DFADRP c1cc(CCC[NH+]2CCC(CO[C@H]3CC[NH2+]C3)CC2)cs1 ZINC000530241821 317778445 /nfs/dbraw/zinc/77/84/45/317778445.db2.gz SAWKZWGYWRMRLY-KRWDZBQOSA-N 2 0 308.491 2.771 20 0 DFADRP CC[NH2+]CCC[NH2+][C@H](C)CC(=O)Nc1ccc(C)c(Cl)c1 ZINC000571431209 317984219 /nfs/dbraw/zinc/98/42/19/317984219.db2.gz CVVMHLSXWZCLDD-CYBMUJFWSA-N 2 0 311.857 2.955 20 0 DFADRP CCc1[nH+]c2ccccc2c(N2CC[NH+](CCOC)CC2)c1C ZINC000572747842 318002129 /nfs/dbraw/zinc/00/21/29/318002129.db2.gz JIKTZPWHUSGDGG-UHFFFAOYSA-N 2 0 313.445 2.874 20 0 DFADRP CC(C)C[C@H](CNC(=O)C1([NH3+])CCC1)[NH2+][C@H](C)c1ccccc1 ZINC000572758517 318002589 /nfs/dbraw/zinc/00/25/89/318002589.db2.gz NEBHXNMVRYXVRU-NVXWUHKLSA-N 2 0 317.477 2.750 20 0 DFADRP CCC[NH+]1CCC(C[NH2+]C[C@H](O)Cc2cccc(Cl)c2)CC1 ZINC000573236495 318014690 /nfs/dbraw/zinc/01/46/90/318014690.db2.gz BOKKFCVXCZNNIC-GOSISDBHSA-N 2 0 324.896 2.955 20 0 DFADRP Cc1ccc(C[NH+]2CC[C@@H](C[N@H+](C)CCC3(O)CC3)C2)s1 ZINC000574576308 318025682 /nfs/dbraw/zinc/02/56/82/318025682.db2.gz KYFBYTWVLPHAPY-HNNXBMFYSA-N 2 0 308.491 2.725 20 0 DFADRP C[C@H](CCc1n[nH]c2ccccc21)[NH2+]C[C@H]1CCC[C@H]([NH3+])C1 ZINC000574739340 318037250 /nfs/dbraw/zinc/03/72/50/318037250.db2.gz MOKMWPLKPSFUGJ-ILXRZTDVSA-N 2 0 300.450 2.991 20 0 DFADRP C[C@H](NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1)C1C[NH2+]C1 ZINC000574748890 318037883 /nfs/dbraw/zinc/03/78/83/318037883.db2.gz PWVSMDRKWYIDAA-GUYCJALGSA-N 2 0 307.869 2.674 20 0 DFADRP CCc1noc(-c2ccc(CC[NH2+][C@@H]3CCC[NH2+]CC3)cc2)n1 ZINC000574972518 318053951 /nfs/dbraw/zinc/05/39/51/318053951.db2.gz QZDPSXNZLJPMBD-MRXNPFEDSA-N 2 0 314.433 2.573 20 0 DFADRP Cc1cccc(C)c1OC[C@H](O)C[NH2+][C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000575861593 318087807 /nfs/dbraw/zinc/08/78/07/318087807.db2.gz BYAJYVMIEGDXAY-FGTMMUONSA-N 2 0 320.477 2.506 20 0 DFADRP C[C@H]([NH3+])c1ccc(CNC(=O)CC[C@H]([NH3+])c2ccccc2)cc1 ZINC000576211894 318111129 /nfs/dbraw/zinc/11/11/29/318111129.db2.gz LOLAHILDANIYTR-KSSFIOAISA-N 2 0 311.429 2.803 20 0 DFADRP Cc1ccc(NC(=O)C[C@@H](C)[NH2+]CC2CC[NH2+]CC2)c(Cl)c1 ZINC000576338054 318119386 /nfs/dbraw/zinc/11/93/86/318119386.db2.gz HKQKPIYLMSGAKQ-CYBMUJFWSA-N 2 0 323.868 2.955 20 0 DFADRP CC[N@H+](C)C[C@@H](O)C[NH+]1CCC(c2c[nH]c3ccccc32)CC1 ZINC000576456121 318127621 /nfs/dbraw/zinc/12/76/21/318127621.db2.gz WYOABEXNCVXGHK-MRXNPFEDSA-N 2 0 315.461 2.660 20 0 DFADRP CCOc1cc(CCC[NH2+][C@H]2CCC[C@H]([NH3+])C2)ccc1OC ZINC000576718015 318145956 /nfs/dbraw/zinc/14/59/56/318145956.db2.gz NVMHTECSZNLVGL-HOTGVXAUSA-N 2 0 306.450 2.886 20 0 DFADRP Cc1ccc(C[NH+]2CCC(CC[NH3+])CC2)c(-c2ccnn2C)c1 ZINC000577183099 318176754 /nfs/dbraw/zinc/17/67/54/318176754.db2.gz PINAHYIZLQDYIB-UHFFFAOYSA-N 2 0 312.461 2.956 20 0 DFADRP C[C@H](C(=O)N[C@@H](C)c1ccc(Cl)cc1)N1CCC[C@H](C[NH3+])C1 ZINC000577280757 318182802 /nfs/dbraw/zinc/18/28/02/318182802.db2.gz MPIQHISIULJPQR-BFHYXJOUSA-N 2 0 323.868 2.576 20 0 DFADRP COCC[C@@H]1CCCC[N@H+](Cc2ccc3c(c2)C[NH2+]CC3)C1 ZINC000577499210 318197527 /nfs/dbraw/zinc/19/75/27/318197527.db2.gz PQKQEPKYBODUFQ-INIZCTEOSA-N 2 0 302.462 2.971 20 0 DFADRP Cc1ccc(C)c(OC[C@H](O)C[NH2+][C@H]2CCC[C@H]([NH+](C)C)C2)c1 ZINC000578127172 318239699 /nfs/dbraw/zinc/23/96/99/318239699.db2.gz GGKYFOBNEQLAOF-OKZBNKHCSA-N 2 0 320.477 2.506 20 0 DFADRP Cn1ccc([C@H]([NH2+]C[C@@H]2CCC[C@@H]([NH3+])C2)c2ccc(F)cc2)n1 ZINC000578231460 318247075 /nfs/dbraw/zinc/24/70/75/318247075.db2.gz ZJCXRPQWAZEUJC-MZMPZRCHSA-N 2 0 316.424 2.756 20 0 DFADRP C[C@@H]([NH2+]CC1(c2ccc(F)cc2)CCOCC1)[C@H]1CCC[NH2+]C1 ZINC000578314058 318252048 /nfs/dbraw/zinc/25/20/48/318252048.db2.gz WZNFWCGAIRTHJS-CVEARBPZSA-N 2 0 320.452 2.852 20 0 DFADRP CC(C)=CCC[C@H](C)CC(=O)NCCN1CCC([NH+](C)C)CC1 ZINC000578362037 318255850 /nfs/dbraw/zinc/25/58/50/318255850.db2.gz SXGBSYXWAJOAQB-KRWDZBQOSA-N 2 0 323.525 2.901 20 0 DFADRP C[C@@H]([NH2+]CCC1CCN(CC(F)(F)F)CC1)[C@@H]1CCC[NH2+]C1 ZINC000578433961 318260478 /nfs/dbraw/zinc/26/04/78/318260478.db2.gz RPSCRDDDPNMZFA-UKRRQHHQSA-N 2 0 321.431 2.629 20 0 DFADRP CCOC(=O)CC[N@H+](C)C[C@H]1CC[NH+](Cc2ccc(C)s2)C1 ZINC000578511847 318265893 /nfs/dbraw/zinc/26/58/93/318265893.db2.gz IBYQRBKQGDCALV-OAHLLOKOSA-N 2 0 324.490 2.763 20 0 DFADRP CC(C)[N@@H+]1CCC[C@H](C[NH2+]C[C@@H](O)[C@H](C)c2ccccc2)C1 ZINC000578618585 318273291 /nfs/dbraw/zinc/27/32/91/318273291.db2.gz HXGUAVGJIYASFX-ZHALLVOQSA-N 2 0 304.478 2.861 20 0 DFADRP C[C@@H](CC(=O)Nc1ccc(C[NH+](C)C)cc1)C1CC[NH2+]CC1 ZINC000578765228 318284050 /nfs/dbraw/zinc/28/40/50/318284050.db2.gz OADJBYVBUJZPAC-AWEZNQCLSA-N 2 0 303.450 2.713 20 0 DFADRP COC(=O)c1sc2ccccc2c1CN1CC[C@H]([NH3+])C[C@@H]1C ZINC000578879173 318292272 /nfs/dbraw/zinc/29/22/72/318292272.db2.gz OLVUAMZSNABWKF-RYUDHWBXSA-N 2 0 318.442 3.000 20 0 DFADRP Cc1ccc(C[NH+]2CC[C@@H](C[N@H+](C)CCc3cn[nH]c3)C2)s1 ZINC000579014930 318302564 /nfs/dbraw/zinc/30/25/64/318302564.db2.gz YCLFSHIWEKFWDO-INIZCTEOSA-N 2 0 318.490 2.776 20 0 DFADRP [NH3+]C[C@H]1CCCC[C@@H]1[NH2+]Cc1ccc(OCC(F)(F)F)nc1 ZINC000579225113 318315476 /nfs/dbraw/zinc/31/54/76/318315476.db2.gz DWTKZNGDHFFCHI-OLZOCXBDSA-N 2 0 317.355 2.630 20 0 DFADRP C[C@H]([NH2+]CCOc1ccc(F)c(Cl)c1)[C@@H]1CCC[NH2+]C1 ZINC000579342063 318323440 /nfs/dbraw/zinc/32/34/40/318323440.db2.gz TTZRJIGCLQFYMH-NWDGAFQWSA-N 2 0 300.805 2.836 20 0 DFADRP CCc1ccc(CCN2CCC(CO)([NH2+]CC3CC3)CC2)cc1 ZINC000579361450 318325497 /nfs/dbraw/zinc/32/54/97/318325497.db2.gz ZMYQSXYNVODDLB-UHFFFAOYSA-N 2 0 316.489 2.618 20 0 DFADRP [NH3+][C@H]1CCC[C@@H]([NH2+]Cc2ccc(NC(=O)c3ccco3)cc2)C1 ZINC000579495325 318335645 /nfs/dbraw/zinc/33/56/45/318335645.db2.gz WUVDITORCCXUQB-GOEBONIOSA-N 2 0 313.401 2.891 20 0 DFADRP CC1CC[NH+](CCCC[NH2+]C[C@H](O)COc2ccccc2)CC1 ZINC000579943290 318364908 /nfs/dbraw/zinc/36/49/08/318364908.db2.gz ITUUNDPZNPZTMZ-SFHVURJKSA-N 2 0 320.477 2.528 20 0 DFADRP CCC1CC([NH2+][C@H](CN2CC[NH+](C)CC2)c2ccccc2)C1 ZINC000579987348 318368485 /nfs/dbraw/zinc/36/84/85/318368485.db2.gz UBDNATAOTRWKSW-NKELODKYSA-N 2 0 301.478 2.753 20 0 DFADRP CC[NH+]1CCN([C@@H](C)C[NH2+][C@H]2CCCNc3ccccc32)CC1 ZINC000192670421 323245962 /nfs/dbraw/zinc/24/59/62/323245962.db2.gz KYHLFIXXCDAVOT-LPHOPBHVSA-N 2 0 316.493 2.549 20 0 DFADRP Cc1cc(=O)[nH]c([C@H](C)[NH+]2CCC(CCC[NH+](C)C)CC2)n1 ZINC000192714572 323246309 /nfs/dbraw/zinc/24/63/09/323246309.db2.gz YKROREHJFKQKJE-AWEZNQCLSA-N 2 0 306.454 2.605 20 0 DFADRP COCC[N@H+](C)CCC[NH2+][C@H]1CCCc2c(OC)cccc21 ZINC000194848643 323273439 /nfs/dbraw/zinc/27/34/39/323273439.db2.gz OAYJHXQDUXANMO-KRWDZBQOSA-N 2 0 306.450 2.631 20 0 DFADRP C[C@@H]1C[C@H](N[C@H]2CCC[C@@H]([NH3+])C2)CC[N@@H+]1Cc1ccccc1 ZINC000379616891 323289576 /nfs/dbraw/zinc/28/95/76/323289576.db2.gz DFFIXQBPQJBNDN-OQIJWPOYSA-N 2 0 301.478 2.899 20 0 DFADRP c1ccc(CN2CCCC[C@@H]2C[NH2+][C@@H]2CCC[NH2+]CC2)cc1 ZINC000379630364 323289596 /nfs/dbraw/zinc/28/95/96/323289596.db2.gz PTRXMHGKVGAWRJ-RTBURBONSA-N 2 0 301.478 2.773 20 0 DFADRP C[C@@H]1C[C@H](NC[C@H]2CCC[NH+](C)C2)CC[N@@H+]1Cc1ccccc1 ZINC000379631638 323289756 /nfs/dbraw/zinc/28/97/56/323289756.db2.gz RQDASHMIJYBOOV-MISYRCLQSA-N 2 0 315.505 2.971 20 0 DFADRP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]C[C@H]1CCCCN1Cc1ccccc1 ZINC000379632371 323290586 /nfs/dbraw/zinc/29/05/86/323290586.db2.gz SKWDZEMGDLOFSK-OTWHNJEPSA-N 2 0 301.478 2.758 20 0 DFADRP C[C@H]1C[C@H](NCCC[NH2+]C2CC2)CC[N@@H+]1Cc1ccccc1 ZINC000382548088 323300104 /nfs/dbraw/zinc/30/01/04/323300104.db2.gz QMYRYCAJSFLADX-QFBILLFUSA-N 2 0 301.478 2.771 20 0 DFADRP C[C@H]1C[N@H+](C)CC[C@H]1[NH2+]CCc1ccc(Br)s1 ZINC000382840925 323302448 /nfs/dbraw/zinc/30/24/48/323302448.db2.gz UNCCBWVUBLPJNY-CMPLNLGQSA-N 2 0 317.296 2.983 20 0 DFADRP C[N@H+](CCOCc1ccccc1)Cc1ccc2c(c1)C[NH2+]CC2 ZINC000384104462 323305491 /nfs/dbraw/zinc/30/54/91/323305491.db2.gz YIYFPBKSIHLGMP-UHFFFAOYSA-N 2 0 310.441 2.981 20 0 DFADRP C[C@H](NC[C@@H](c1ccccc1)[NH+]1CCCC1)[C@H]1CCCC[NH2+]1 ZINC000386629946 323320136 /nfs/dbraw/zinc/32/01/36/323320136.db2.gz ZXKTZIGTATWQIH-UHOSZYNNSA-N 2 0 301.478 2.944 20 0 DFADRP C[NH2+][C@H](CC(C)(C)C)C(=O)Nc1cc(C[NH+](C)C)ccc1OC ZINC000387579312 323326372 /nfs/dbraw/zinc/32/63/72/323326372.db2.gz PIJVTDIEJNCWDC-OAHLLOKOSA-N 2 0 321.465 2.720 20 0 DFADRP C[N@H+](CC[C@H]1CC[NH2+]C1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000388747043 323332259 /nfs/dbraw/zinc/33/22/59/323332259.db2.gz DGGIJYKREKUWSB-MJGOQNOKSA-N 2 0 301.478 2.582 20 0 DFADRP c1ccc(C[NH+]2CCN(CC[NH2+][C@@H]3CCC[C@H]4C[C@H]43)CC2)cc1 ZINC000390897797 323343782 /nfs/dbraw/zinc/34/37/82/323343782.db2.gz FJTBJSBOCCNCOP-XUVXKRRUSA-N 2 0 313.489 2.582 20 0 DFADRP C[C@@H]1CCCC[N@@H+]1CCC1CCN(C(=O)CCCC[NH3+])CC1 ZINC000580332302 323372920 /nfs/dbraw/zinc/37/29/20/323372920.db2.gz NYZRVPJZVOUCTA-MRXNPFEDSA-N 2 0 309.498 2.619 20 0 DFADRP Cc1ccc(C[NH2+]C[C@H](C)CN2CC[NH+](C)CC2)c(Cl)c1 ZINC000581433874 323522402 /nfs/dbraw/zinc/52/24/02/323522402.db2.gz ZVJHBRXWCJVTCP-HNNXBMFYSA-N 2 0 309.885 2.622 20 0 DFADRP Cn1cc(-c2ccc(C[NH2+][C@@H]3CCCC[C@@H]3C[NH3+])s2)cn1 ZINC000581595442 323545397 /nfs/dbraw/zinc/54/53/97/323545397.db2.gz AZUYDKQQLJHSJO-IUODEOHRSA-N 2 0 304.463 2.756 20 0 DFADRP CC[NH+]1CCC(C[NH2+]Cc2ccnn2-c2ccc(F)cc2)CC1 ZINC000581760648 323569226 /nfs/dbraw/zinc/56/92/26/323569226.db2.gz ZMYRLVHBABUMJT-UHFFFAOYSA-N 2 0 316.424 2.833 20 0 DFADRP C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)CC[C@H]([NH3+])c1ccccc1 ZINC000582481327 323679565 /nfs/dbraw/zinc/67/95/65/323679565.db2.gz ROOGETIIULKGEM-YJBOKZPZSA-N 2 0 317.477 2.655 20 0 DFADRP C[C@@H]1C[NH+](Cc2cccc(N[C@@H]3CCC[C@@H]3C[NH3+])c2)C[C@@H](C)O1 ZINC000582899177 323757767 /nfs/dbraw/zinc/75/77/67/323757767.db2.gz BCHGIJJYKGBMQZ-FXRXJOCMSA-N 2 0 317.477 2.835 20 0 DFADRP OCc1ccccc1C[NH2+][C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000584166797 331849833 /nfs/dbraw/zinc/84/98/33/331849833.db2.gz CLJSURJRJXSQLT-AZUAARDMSA-N 2 0 324.424 2.524 20 0 DFADRP C[C@@H](Cc1ccc(C(F)(F)F)cc1)[NH2+]CCOCC[NH+](C)C ZINC000584449938 337339442 /nfs/dbraw/zinc/33/94/42/337339442.db2.gz VDQJYOGXHYYDQY-ZDUSSCGKSA-N 2 0 318.383 2.804 20 0 DFADRP C[C@@H]1C[N@@H+]([C@@H](Cc2ccccn2)c2cccnc2)C[C@@]1(C)C[NH3+] ZINC000584464016 337343428 /nfs/dbraw/zinc/34/34/28/337343428.db2.gz IOJVIXKLJHOHAS-AYOQOUSVSA-N 2 0 310.445 2.677 20 0 DFADRP c1ccc(O[C@H]2CC[N@@H+](Cc3ccc4c(c3)C[NH2+]CC4)C2)cc1 ZINC000584634215 337377669 /nfs/dbraw/zinc/37/76/69/337377669.db2.gz CRHBLRHVLXUAQS-FQEVSTJZSA-N 2 0 308.425 2.986 20 0 DFADRP CCN(C(=O)CC(C)(C)[NH3+])[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000368453508 519902005 /nfs/dbraw/zinc/90/20/05/519902005.db2.gz KNYCDUDGIJDPEU-WBVHZDCISA-N 2 0 317.477 2.798 20 0 DFADRP CC[NH2+]Cc1cccc(NC(=O)[C@H]2C[C@H]3CCCC[N@@H+]3C2)c1 ZINC000366353575 520003568 /nfs/dbraw/zinc/00/35/68/520003568.db2.gz JZXGXGCRTPQGAN-DOTOQJQBSA-N 2 0 301.434 2.609 20 0 DFADRP CC[NH+](CC)Cc1cccc(C[NH2+][C@@H]2CC[N@H+](C)C[C@@H]2C)c1 ZINC000163552136 520754241 /nfs/dbraw/zinc/75/42/41/520754241.db2.gz PSWPVQLRLHCTIF-QFBILLFUSA-N 3 0 303.494 2.958 20 0 DFADRP Cc1ccc2[nH+]ccc(NC[C@H](c3cnn(C)c3)[NH+](C)C)c2c1 ZINC000302167914 534523213 /nfs/dbraw/zinc/52/32/13/534523213.db2.gz SJGITAUPPBEKJI-GOSISDBHSA-N 2 0 309.417 2.992 20 0 DFADRP CCC[C@](C)([NH3+])C(=O)NC[C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000365006409 521275523 /nfs/dbraw/zinc/27/55/23/521275523.db2.gz FJKZHVISKSMAPC-IEZWGBDMSA-N 2 0 317.477 2.531 20 0 DFADRP CCC[N@H+](CC)CCN[C@@H]1CC[NH+](Cc2ccccn2)C[C@@H]1C ZINC000156819190 521610919 /nfs/dbraw/zinc/61/09/19/521610919.db2.gz FXZZJWYPZKKAJI-PKOBYXMFSA-N 2 0 318.509 2.614 20 0 DFADRP CC[NH+]1CCN(CCC[NH2+][C@H]2c3cc(F)ccc3C[C@H]2C)CC1 ZINC000154334366 521682316 /nfs/dbraw/zinc/68/23/16/521682316.db2.gz MVXIYDCZQWMUOT-DNVCBOLYSA-N 2 0 319.468 2.676 20 0 DFADRP COC1(C[N@@H+]2CCC[C@@H](C[NH+]3CCCC[C@H]3C)C2)CCOCC1 ZINC000368440035 522604538 /nfs/dbraw/zinc/60/45/38/522604538.db2.gz ZVMJIFBETSILFI-QZTJIDSGSA-N 2 0 324.509 2.768 20 0 DFADRP Cc1[nH+]c2ccccc2c(N[C@@H](C)C[NH+]2CCN(C)CC2)c1C ZINC000302104671 534670823 /nfs/dbraw/zinc/67/08/23/534670823.db2.gz WXOZDQXGFNCCFN-AWEZNQCLSA-N 2 0 312.461 2.899 20 0 DFADRP C[N@H+](CCSCC[NH+]1C[C@H]2CC[C@@H](C1)O2)Cc1ccccc1 ZINC000366012470 522924998 /nfs/dbraw/zinc/92/49/98/522924998.db2.gz UUITXSREFKSJJQ-HDICACEKSA-N 2 0 320.502 2.715 20 0 DFADRP COc1cc2c(cc1C[NH2+]CCCCC[NH+]1CCCC1)OCO2 ZINC000339496430 523002194 /nfs/dbraw/zinc/00/21/94/523002194.db2.gz CDTIBEJFIYTATB-UHFFFAOYSA-N 2 0 320.433 2.780 20 0 DFADRP C[N@@H+]1CC[C@H]([NH2+]CCCn2cnc3ccccc32)[C@H]2CCC[C@@H]21 ZINC000367614790 523987699 /nfs/dbraw/zinc/98/76/99/523987699.db2.gz IULYMKJUEXNOCS-RYRKJORJSA-N 2 0 312.461 2.889 20 0 DFADRP COc1ccc(C[NH2+][C@@H]2CC[N@H+](C)[C@H]3CCC[C@H]32)cc1OC ZINC000367617322 524086079 /nfs/dbraw/zinc/08/60/79/524086079.db2.gz QIKALVPLUXDERH-XHSDSOJGSA-N 2 0 304.434 2.666 20 0 DFADRP C[C@H]1CCCC[N@@H+]1CCC1CCN(C(=O)[C@@H]2CCC[NH+]2C)CC1 ZINC000157591351 526245278 /nfs/dbraw/zinc/24/52/78/526245278.db2.gz YLYZLFMNWUXMJX-WMZOPIPTSA-N 2 0 321.509 2.584 20 0 DFADRP O=C1CC[C@@H]([NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)c2cc(F)ccc2N1 ZINC000364941898 526990704 /nfs/dbraw/zinc/99/07/04/526990704.db2.gz QCCFHYCHCXCFNN-MLGOLLRUSA-N 2 0 317.408 2.673 20 0 DFADRP CC(C)[C@H](O)C[NH2+][C@H]1[C@H](C)C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000292873573 527743179 /nfs/dbraw/zinc/74/31/79/527743179.db2.gz HVRIRYUBDXQWGB-JFRXWTBNSA-N 2 0 304.478 2.750 20 0 DFADRP CCOC(=O)[C@@H]1CC[C@H]([NH2+]Cc2ccc3c[nH+]cn3c2)C[C@@H]1C ZINC000297525705 527873084 /nfs/dbraw/zinc/87/30/84/527873084.db2.gz NPILPBTYIGRHKQ-JLJPHGGASA-N 2 0 315.417 2.792 20 0 DFADRP CC(C)OCC[N@@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000310017777 527963059 /nfs/dbraw/zinc/96/30/59/527963059.db2.gz PFBYBKTZSYKSQF-RBUKOAKNSA-N 2 0 302.462 2.865 20 0 DFADRP CC[NH+](CC)CCC[C@@H](C)NC(=O)[C@H]([NH3+])c1ccccc1C ZINC000296802117 528115736 /nfs/dbraw/zinc/11/57/36/528115736.db2.gz MRAGKKMSNFYTNC-NVXWUHKLSA-N 2 0 305.466 2.622 20 0 DFADRP CC(C)Oc1cccc(C[NH+]2CCC(OCCC[NH3+])CC2)c1 ZINC000316490579 528223541 /nfs/dbraw/zinc/22/35/41/528223541.db2.gz UAKIYRNJTQIOSG-UHFFFAOYSA-N 2 0 306.450 2.804 20 0 DFADRP CCCC[NH+]1CCC([NH2+][C@H]2CCO[C@H](C(F)(F)F)C2)CC1 ZINC000314557637 528462562 /nfs/dbraw/zinc/46/25/62/528462562.db2.gz AFAQQHOALNUDCZ-KBPBESRZSA-N 2 0 308.388 2.950 20 0 DFADRP CCC[NH2+][C@H](C)C(=O)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000294880460 528554850 /nfs/dbraw/zinc/55/48/50/528554850.db2.gz XNETVKLPRKKDKN-MRXNPFEDSA-N 2 0 317.477 2.677 20 0 DFADRP CCOCCC[N@@H+]1C[C@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000309976968 528670944 /nfs/dbraw/zinc/67/09/44/528670944.db2.gz RSWDUODKDQZZRE-MOPGFXCFSA-N 2 0 302.462 2.867 20 0 DFADRP CC[NH2+]CC1CC[NH+](Cc2ccc(-c3cnn(C)c3)s2)CC1 ZINC000261955033 535460297 /nfs/dbraw/zinc/46/02/97/535460297.db2.gz ONVDWCAXMMZTAD-UHFFFAOYSA-N 2 0 318.490 2.970 20 0 DFADRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H](CC)[C@H]2CCOC2)[C@H](C)C1 ZINC000361491933 535527196 /nfs/dbraw/zinc/52/71/96/535527196.db2.gz BPOCPCLNRJUHNP-XDNAFOTISA-N 2 0 312.498 2.528 20 0 DFADRP CC[NH+](CC)Cc1ccc(CNC(=O)[C@@H]2C[C@@H](C)CC[NH2+]2)cc1 ZINC000261834835 535605990 /nfs/dbraw/zinc/60/59/90/535605990.db2.gz IHIYHHSULXZCGM-YJBOKZPZSA-N 2 0 317.477 2.533 20 0 DFADRP CC[NH+](CC)[C@H](C(=O)NCC[N@H+](C)C(C)C)c1ccccc1 ZINC000355642386 535664620 /nfs/dbraw/zinc/66/46/20/535664620.db2.gz KLSWEWCJWSDBTP-KRWDZBQOSA-N 2 0 305.466 2.526 20 0 DFADRP CC[NH+](CC)[C@H](CNC(=O)[C@H]1CCCC[N@@H+]1CC)c1ccco1 ZINC000245908876 535676021 /nfs/dbraw/zinc/67/60/21/535676021.db2.gz OFRUUQQGPUFCAG-HZPDHXFCSA-N 2 0 321.465 2.653 20 0 DFADRP C[NH+](C)Cc1c2ccccc2oc1-c1nc(C2([NH3+])CCC2)no1 ZINC000261642555 535975405 /nfs/dbraw/zinc/97/54/05/535975405.db2.gz DJGZFBSTZHSSJT-UHFFFAOYSA-N 2 0 312.373 2.882 20 0 DFADRP C[N@@H+]1CCCC[C@H]1CC[NH+]1CCC(OC[C@@H]2CCCO2)CC1 ZINC000361331086 536356533 /nfs/dbraw/zinc/35/65/33/536356533.db2.gz LMUYKBUJIDIVDA-WMZOPIPTSA-N 2 0 310.482 2.521 20 0 DFADRP C[NH+]1CCN(c2ccc(C[NH2+]C3CCC4(CC4)CC3)cn2)CC1 ZINC000362919677 536421682 /nfs/dbraw/zinc/42/16/82/536421682.db2.gz XNLGAUFBILWCDJ-UHFFFAOYSA-N 2 0 314.477 2.646 20 0 DFADRP COc1cc(C)c(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)cc1OC ZINC000262065371 536572226 /nfs/dbraw/zinc/57/22/26/536572226.db2.gz FLHYNFFXVFSACV-NUEKZKHPSA-N 2 0 304.434 2.571 20 0 DFADRP CO[C@@]1(C[NH2+]Cc2ccccc2C[NH+]2CCCCC2)CCOC1 ZINC000680853946 545552614 /nfs/dbraw/zinc/55/26/14/545552614.db2.gz UKPYOZFQHIIBLD-LJQANCHMSA-N 2 0 318.461 2.568 20 0 DFADRP C[C@@H]([NH2+][C@H]1CCN(C2CC[NH+](C)CC2)C1)c1ccc(Cl)cn1 ZINC000681388794 545636479 /nfs/dbraw/zinc/63/64/79/545636479.db2.gz ANJMZOUBOCLNAX-HIFRSBDPSA-N 2 0 322.884 2.554 20 0 DFADRP OCC[C@H]1CCC[N@@H+]1Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000681753567 545716679 /nfs/dbraw/zinc/71/66/79/545716679.db2.gz HQFKTRPGXPOESP-GOSISDBHSA-N 2 0 318.461 2.508 20 0 DFADRP C[NH+](C)CCOc1ccc(C[NH2+]C[C@@H]2CC23CCOCC3)cc1 ZINC000681824092 545732576 /nfs/dbraw/zinc/73/25/76/545732576.db2.gz KTECJBDTZUVLRE-KRWDZBQOSA-N 2 0 318.461 2.533 20 0 DFADRP Cn1ccnc1N1CCC(Nc2ccnc(C(C)(C)C)n2)CC1 ZINC000683196303 545987415 /nfs/dbraw/zinc/98/74/15/545987415.db2.gz BBNZPGGWIZXOEQ-UHFFFAOYSA-N 2 0 314.437 2.589 20 0 DFADRP Cc1ccc([C@@H](C)[NH2+]CCC[N@@H+]2CCCO[C@@H](C)C2)c(C)n1 ZINC000683346144 546016056 /nfs/dbraw/zinc/01/60/56/546016056.db2.gz SEFJJUJALQUQML-JKSUJKDBSA-N 2 0 305.466 2.850 20 0 DFADRP C[C@@H]1C[N@H+](CCC[NH2+]Cc2ccc3cnccc3c2)CCCO1 ZINC000683775546 546093287 /nfs/dbraw/zinc/09/32/87/546093287.db2.gz BJTVXPINBBXMOI-MRXNPFEDSA-N 2 0 313.445 2.825 20 0 DFADRP CN(C)c1cc[nH+]c(NC(=O)CC[N@H+](C)C2CCCCC2)c1 ZINC000684166163 546161857 /nfs/dbraw/zinc/16/18/57/546161857.db2.gz MTLYCGXIAFFUDT-UHFFFAOYSA-N 2 0 304.438 2.741 20 0 DFADRP CN(CCC[N@H+](C)Cc1cc(Cl)cs1)CC[NH+](C)C ZINC000685475844 546358876 /nfs/dbraw/zinc/35/88/76/546358876.db2.gz OZCDYXOEZCEZAU-UHFFFAOYSA-N 2 0 303.903 2.717 20 0 DFADRP C[NH+](C)CCN1CCC([NH2+][C@@H]2CCCOc3ccccc32)CC1 ZINC000150983103 282099680 /nfs/dbraw/zinc/09/96/80/282099680.db2.gz BKSQTVBNRXRBTI-GOSISDBHSA-N 2 0 317.477 2.516 20 0 DFADRP C[NH+](C)CCc1ccc(NC(=O)[C@@H]2C[C@H]3CCCC[C@H]3[NH2+]2)cc1 ZINC000269226817 282114824 /nfs/dbraw/zinc/11/48/24/282114824.db2.gz APPZILCURVXPAO-NXHRZFHOSA-N 2 0 315.461 2.650 20 0 DFADRP C[NH+](C)C[C@@H](NC1CC[NH+](C2CC2)CC1)c1ccc(F)cc1 ZINC000297345485 282117521 /nfs/dbraw/zinc/11/75/21/282117521.db2.gz FNAVSNBTTGOSNQ-GOSISDBHSA-N 2 0 305.441 2.645 20 0 DFADRP COCCOc1ccc(C[NH2+]CC2CC[NH+](C3CC3)CC2)cc1 ZINC000278501798 214195117 /nfs/dbraw/zinc/19/51/17/214195117.db2.gz OBOASHDAKPOWCG-UHFFFAOYSA-N 2 0 318.461 2.676 20 0 DFADRP Clc1ccc2ncc(C[NH2+]CC3CC[NH+](C4CC4)CC3)n2c1 ZINC000278533473 214219142 /nfs/dbraw/zinc/21/91/42/214219142.db2.gz VPJKLWDSOUOOBQ-UHFFFAOYSA-N 2 0 318.852 2.952 20 0 DFADRP C[C@@H]([NH2+]CC[C@@H]1CCC[N@@H+]1C)c1ccc(N2CCOC2=O)cc1 ZINC000181296623 199277954 /nfs/dbraw/zinc/27/79/54/199277954.db2.gz FVJIYMIMZZVPIQ-ZBFHGGJFSA-N 2 0 317.433 2.778 20 0 DFADRP OC1CCC([NH2+][C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)CC1 ZINC000305861044 231076693 /nfs/dbraw/zinc/07/66/93/231076693.db2.gz LUHLBRUZSLPQSK-AABGDIPYSA-N 2 0 314.473 2.790 20 0 DFADRP C[C@H]([NH2+]C[C@]1(C)CC[N@H+](Cc2ccccc2)C1)[C@@H]1CCOC1 ZINC000309697577 231101634 /nfs/dbraw/zinc/10/16/34/231101634.db2.gz FLABFVJRIGUMIV-UHOSZYNNSA-N 2 0 302.462 2.913 20 0 DFADRP C[C@H]([NH2+]CCC[N@@H+]1CCCO[C@H](C)C1)c1ccc2c(c1)OCO2 ZINC000278715477 214348370 /nfs/dbraw/zinc/34/83/70/214348370.db2.gz VTKIMFSKTZGTNG-CABCVRRESA-N 2 0 320.433 2.567 20 0 DFADRP COc1ccc2ccccc2c1C[NH2+]CCOCC[NH+](C)C ZINC000318819234 231174490 /nfs/dbraw/zinc/17/44/90/231174490.db2.gz JUODBGIPHHYNLM-UHFFFAOYSA-N 2 0 302.418 2.516 20 0 DFADRP CCC(CC)NC(=O)[C@@H](C)[N@@H+]1CCC[C@H](n2ccnc2C)C1 ZINC000591905645 398348721 /nfs/dbraw/zinc/34/87/21/398348721.db2.gz FENKTGSUIOHQHH-CJNGLKHVSA-N 2 0 306.454 2.522 20 0 DFADRP CCC[C@H](C)NC(=O)[C@@H](C)[N@@H+]1CCC[C@H](n2ccnc2C)C1 ZINC000591907204 398349352 /nfs/dbraw/zinc/34/93/52/398349352.db2.gz YYGMCJKNPGCXKJ-LZWOXQAQSA-N 2 0 306.454 2.522 20 0 DFADRP [NH3+][C@H]1CCC[C@H]([NH2+]CCc2ccc(Br)s2)C1 ZINC000226359700 398350582 /nfs/dbraw/zinc/35/05/82/398350582.db2.gz WITBCGYVHNMSDH-UWVGGRQHSA-N 2 0 303.269 2.913 20 0 DFADRP [NH3+][C@@H]1CCC[C@H]([NH2+]CCc2ccc(Br)s2)C1 ZINC000226359698 398350591 /nfs/dbraw/zinc/35/05/91/398350591.db2.gz WITBCGYVHNMSDH-ZJUUUORDSA-N 2 0 303.269 2.913 20 0 DFADRP CC(C)C[N@@H+]1CC[C@@H](CNC(=O)CC[C@@H]([NH3+])c2ccccc2)C1 ZINC000236786359 398364172 /nfs/dbraw/zinc/36/41/72/398364172.db2.gz CGRDVPMXHNRPRI-FUHWJXTLSA-N 2 0 317.477 2.561 20 0 DFADRP CC[NH+](CC)CCC[C@H](C)[NH2+]Cc1cnc2c(c1)c(C)nn2C ZINC000236860419 398364693 /nfs/dbraw/zinc/36/46/93/398364693.db2.gz PMKBSGRYYLJUTD-AWEZNQCLSA-N 2 0 317.481 2.877 20 0 DFADRP CC(C)C[C@@H]([NH3+])C(=O)NCc1ccccc1C[N@H+](C)C(C)C ZINC000236725823 398363318 /nfs/dbraw/zinc/36/33/18/398363318.db2.gz XIHRXNXZYGUXNY-QGZVFWFLSA-N 2 0 305.466 2.516 20 0 DFADRP CC[NH+](CC)Cc1ccc(CNC(=O)[C@H]([NH3+])CC(C)C)cc1 ZINC000236905017 398365745 /nfs/dbraw/zinc/36/57/45/398365745.db2.gz NGALBAXMEQCYAB-QGZVFWFLSA-N 2 0 305.466 2.518 20 0 DFADRP Cc1ccc(NC(=O)C[C@@H](C)[NH2+]C[C@H]2CCCN2C)c(C)c1 ZINC000237450352 398370374 /nfs/dbraw/zinc/37/03/74/398370374.db2.gz SBCOSBLPYRYSNP-HZPDHXFCSA-N 2 0 303.450 2.704 20 0 DFADRP C[C@H]1C[C@H]([NH3+])CCN1C(=O)c1ccc(Nc2cc[nH+]cc2)cc1 ZINC000237621870 398373364 /nfs/dbraw/zinc/37/33/64/398373364.db2.gz MCZINYQZXDNYMU-DZGCQCFKSA-N 2 0 310.401 2.777 20 0 DFADRP CC[C@H]([NH2+][C@@H](C)c1ccc(OCC[NH+](C)C)cc1)C(C)(C)O ZINC000294859708 529652525 /nfs/dbraw/zinc/65/25/25/529652525.db2.gz BWTVXMYVFJFYOZ-YOEHRIQHSA-N 2 0 308.466 2.827 20 0 DFADRP CCO[C@@H]1C[C@@H]([NH2+]CCC[NH+](C)C)[C@H]1Sc1ccccc1 ZINC000459361173 299088560 /nfs/dbraw/zinc/08/85/60/299088560.db2.gz FZRMHHWMKQUFFG-BRWVUGGUSA-N 2 0 308.491 2.866 20 0 DFADRP c1cnn(-c2ccc(CC[NH2+]C3CCN(C4CC4)CC3)cc2)c1 ZINC000459374775 299090628 /nfs/dbraw/zinc/09/06/28/299090628.db2.gz YFGVSJKAWVVYMV-UHFFFAOYSA-N 2 0 310.445 2.631 20 0 DFADRP CC(C)[C@@H](CNC1CC[NH+](C2CC2)CC1)[NH+]1CCC(C)CC1 ZINC000459375346 299090650 /nfs/dbraw/zinc/09/06/50/299090650.db2.gz ZCXUIHGJUORVEP-LJQANCHMSA-N 2 0 307.526 2.959 20 0 DFADRP COC[C@@H](Cc1ccccc1)[NH2+]C1CCC(C[NH+](C)C)CC1 ZINC000090707227 185311087 /nfs/dbraw/zinc/31/10/87/185311087.db2.gz ICGGKVBENYBMHA-CTWPCTMYSA-N 2 0 304.478 2.954 20 0 DFADRP CC(=O)Nc1ccc(C[NH+]2CCC(CC[NH+](C)C)CC2)cc1 ZINC000092381093 185314726 /nfs/dbraw/zinc/31/47/26/185314726.db2.gz GTNPGIOVYWYLQM-UHFFFAOYSA-N 2 0 303.450 2.809 20 0 DFADRP C[NH+](C)[C@H](CNC(=O)[C@H]([NH3+])CC1CCCCC1)c1ccccc1 ZINC000261617347 282245262 /nfs/dbraw/zinc/24/52/62/282245262.db2.gz BSROILBJZYLUCC-QZTJIDSGSA-N 2 0 317.477 2.703 20 0 DFADRP CCO[C@@H]1C[C@@H]([NH2+]C2CC[NH+](C(C)(C)C)CC2)[C@@H]1SC ZINC000459387063 299093668 /nfs/dbraw/zinc/09/36/68/299093668.db2.gz JBUGVZNRPGKEQZ-KFWWJZLASA-N 2 0 300.512 2.748 20 0 DFADRP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+]1C[C@H](C(N)=O)CC[C@H]1C ZINC000329764346 282251557 /nfs/dbraw/zinc/25/15/57/282251557.db2.gz VPOZVZYUTQXCSM-TZMCWYRMSA-N 2 0 313.405 2.711 20 0 DFADRP CCOC(=O)[C@@H](C)[N@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000092821019 185343815 /nfs/dbraw/zinc/34/38/15/185343815.db2.gz CHCTUJWJCMCMPV-OAHLLOKOSA-N 2 0 319.449 2.572 20 0 DFADRP CCOc1ccc([C@H](C)[NH2+]CCc2cncn2C)cc1OC ZINC000459400687 299096626 /nfs/dbraw/zinc/09/66/26/299096626.db2.gz WKJWNFMHOPDMTM-ZDUSSCGKSA-N 2 0 303.406 2.721 20 0 DFADRP C[NH+](C)CCCCNC(=O)c1cccc(C[NH+]2CCCCC2)c1 ZINC000413436524 295708189 /nfs/dbraw/zinc/70/81/89/295708189.db2.gz IQFOEOOORXBTSO-UHFFFAOYSA-N 2 0 317.477 2.744 20 0 DFADRP CCO[C@@H]1C[C@H]([NH2+]CCN2[C@H](C)CCC[C@@H]2C)[C@@H]1SC ZINC000459425445 299102654 /nfs/dbraw/zinc/10/26/54/299102654.db2.gz KHQSOWKWTQGZJB-NPJQDHAYSA-N 2 0 300.512 2.748 20 0 DFADRP CC(C)(C)OC(=O)CCC[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000459422955 299102406 /nfs/dbraw/zinc/10/24/06/299102406.db2.gz JJMCTYGTWNEXQN-UHFFFAOYSA-N 2 0 319.449 2.762 20 0 DFADRP CCO[C@@H]1C[C@@H]([NH2+]CCC2CC[NH+](CC)CC2)[C@H]1SC ZINC000459423489 299102867 /nfs/dbraw/zinc/10/28/67/299102867.db2.gz PHRYXEWIIZBYRQ-BZUAXINKSA-N 2 0 300.512 2.607 20 0 DFADRP C[C@H]([NH2+]CC[C@H]1CC[NH2+]C1)c1ccc(-n2cncn2)cc1Cl ZINC000584834075 398418122 /nfs/dbraw/zinc/41/81/22/398418122.db2.gz SKDBWRYOEALMCJ-QWHCGFSZSA-N 2 0 319.840 2.571 20 0 DFADRP C[C@H]([NH2+]CC[C@@H]1CC[NH2+]C1)c1ccc(-n2cncn2)cc1Cl ZINC000584834076 398418373 /nfs/dbraw/zinc/41/83/73/398418373.db2.gz SKDBWRYOEALMCJ-STQMWFEESA-N 2 0 319.840 2.571 20 0 DFADRP CCO[C@@H]1C[C@H]([NH2+]C[C@H]2CCC[N@@H+](C(C)C)C2)[C@H]1SC ZINC000459427345 299103738 /nfs/dbraw/zinc/10/37/38/299103738.db2.gz NCJRTEJTLVRNEQ-QKPAOTATSA-N 2 0 300.512 2.605 20 0 DFADRP COc1cc(C[NH2+]CC2CC[NH+](C3CC3)CC2)cc(OC)c1 ZINC000278112501 213967483 /nfs/dbraw/zinc/96/74/83/213967483.db2.gz BTADHIFGHUEZKX-UHFFFAOYSA-N 2 0 304.434 2.668 20 0 DFADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@H]([NH3+])c1ccc(C(C)C)cc1 ZINC000262547111 398431650 /nfs/dbraw/zinc/43/16/50/398431650.db2.gz MRDFOSOAYWUGIT-ZWKOTPCHSA-N 2 0 317.477 2.800 20 0 DFADRP C[C@H](CC(=O)NCCCC[N@@H+]1CCCC[C@H]1C)[C@@H]1CCC[NH2+]C1 ZINC000262602330 398431781 /nfs/dbraw/zinc/43/17/81/398431781.db2.gz ACZUPOUKTQVOAE-KZNAEPCWSA-N 2 0 323.525 2.783 20 0 DFADRP C[N@H+](CC[C@@H]1CCCC[NH+]1C)C[C@@H](O)Cc1ccc(F)cc1 ZINC000292852391 529929951 /nfs/dbraw/zinc/92/99/51/529929951.db2.gz QSGUXISTZOETBJ-ROUUACIJSA-N 2 0 308.441 2.535 20 0 DFADRP COc1ccc(C)cc1C[NH2+]CCCC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000067452860 398435674 /nfs/dbraw/zinc/43/56/74/398435674.db2.gz LZSURZYEZWKVQT-IRXDYDNUSA-N 2 0 320.477 2.983 20 0 DFADRP CC[NH+](CC)[C@H](C(=O)N1CCC[N@H+](CC)CC1)c1ccccc1 ZINC000067483443 398437357 /nfs/dbraw/zinc/43/73/57/398437357.db2.gz TYBKUNGSZINCCV-SFHVURJKSA-N 2 0 317.477 2.624 20 0 DFADRP COC(=O)C(C)(C)CC[NH2+]C[C@@H]1C[N@H+](C)C[C@H]1c1ccccc1 ZINC000592525295 398441735 /nfs/dbraw/zinc/44/17/35/398441735.db2.gz NWLJNSFFAAKSTL-SJORKVTESA-N 2 0 318.461 2.511 20 0 DFADRP c1ccc2c(c1)[nH+]ccc2N1CC[NH+](CCOCC2CC2)CC1 ZINC000459483993 299118196 /nfs/dbraw/zinc/11/81/96/299118196.db2.gz QCMQIINAVAOKJY-UHFFFAOYSA-N 2 0 311.429 2.783 20 0 DFADRP C[C@H](CC[NH2+]C1CC[NH+](C2CCCCC2)CC1)[S@](C)=O ZINC000090516810 398487924 /nfs/dbraw/zinc/48/79/24/398487924.db2.gz JDZPIRQODXPLQT-JLTOFOAXSA-N 2 0 300.512 2.530 20 0 DFADRP C[C@H]([NH2+]CC[C@H]1CCCC[N@@H+]1C)c1ccc(-n2cncn2)cc1 ZINC000272703388 210109225 /nfs/dbraw/zinc/10/92/25/210109225.db2.gz ZLZCPKRPRKBBNH-DOTOQJQBSA-N 2 0 313.449 2.792 20 0 DFADRP C[C@H](CCO)C[NH2+][C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000272691509 210097530 /nfs/dbraw/zinc/09/75/30/210097530.db2.gz POABDWRNGIPBCB-GSEOLPGOSA-N 2 0 316.489 2.895 20 0 DFADRP CC[NH+](CC)Cc1ccc(C(=O)N2CCC[C@@H]([NH+](C)C)C2)cc1 ZINC000068487036 398507985 /nfs/dbraw/zinc/50/79/85/398507985.db2.gz WBLRVZKNWCVLAR-GOSISDBHSA-N 2 0 317.477 2.695 20 0 DFADRP C[C@H](Cn1cccn1)[NH2+][C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272653327 210059169 /nfs/dbraw/zinc/05/91/69/210059169.db2.gz KWRQUQXATOTYNT-ZIFCJYIRSA-N 2 0 312.461 2.772 20 0 DFADRP COc1ccc(C[C@H](C)[NH2+]Cc2ccc(C[NH+](C)C)cc2)cn1 ZINC000414053117 295761822 /nfs/dbraw/zinc/76/18/22/295761822.db2.gz AKFWSHRHTBUTKX-HNNXBMFYSA-N 2 0 313.445 2.873 20 0 DFADRP c1cc(N2CCC([NH2+]C[C@H]3CCOC4(CCC4)C3)CC2)cc[nH+]1 ZINC000459573271 299137491 /nfs/dbraw/zinc/13/74/91/299137491.db2.gz IMFAEJYUZBBIAI-INIZCTEOSA-N 2 0 315.461 2.989 20 0 DFADRP CC(C)c1cccc(NC(=O)C[NH+]2CCC(CC[NH3+])CC2)c1 ZINC000315601741 398527186 /nfs/dbraw/zinc/52/71/86/398527186.db2.gz NDJXNTPVQORIAU-UHFFFAOYSA-N 2 0 303.450 2.809 20 0 DFADRP CC[C@H]([NH2+]Cc1ccc(N2CC[NH+](C)CC2)nc1)[C@H]1CC1(C)C ZINC000414059096 295762151 /nfs/dbraw/zinc/76/21/51/295762151.db2.gz IDQSDNSTPHIURR-SJORKVTESA-N 2 0 316.493 2.748 20 0 DFADRP CC[NH+](CC)Cc1ccccc1C[NH2+]Cc1ccc(CO)o1 ZINC000077897758 282585251 /nfs/dbraw/zinc/58/52/51/282585251.db2.gz KYXDYHHMAWUUQI-UHFFFAOYSA-N 2 0 302.418 2.904 20 0 DFADRP C[NH+](C)C[C@@H]1CC[N@H+](C[C@H](O)Cc2ccc3ccccc3c2)C1 ZINC000279818749 215172809 /nfs/dbraw/zinc/17/28/09/215172809.db2.gz YAXQGVRYVLYOOP-FXAWDEMLSA-N 2 0 312.457 2.627 20 0 DFADRP COC(=O)c1ccc(C[N@@H+]2CCCC23CC[NH+](C)CC3)cc1F ZINC000597111851 398568304 /nfs/dbraw/zinc/56/83/04/398568304.db2.gz VBWOPQPVEPCAEK-UHFFFAOYSA-N 2 0 320.408 2.673 20 0 DFADRP C[C@H]([NH2+][C@H]1CCC[C@@H](CO)C1)c1ccc(OCC[NH+](C)C)cc1 ZINC000414342557 295790065 /nfs/dbraw/zinc/79/00/65/295790065.db2.gz PZLHYAKWEQOLIJ-JZXOWHBKSA-N 2 0 320.477 2.829 20 0 DFADRP Cn1cnc(CC[NH2+]CC(C)(C)C[N@H+](C)Cc2ccccc2)c1 ZINC000459652491 299156270 /nfs/dbraw/zinc/15/62/70/299156270.db2.gz BXWUHZLSZCKOEC-UHFFFAOYSA-N 2 0 314.477 2.710 20 0 DFADRP C[C@@H]1CCC[C@H]([NH+]2CCC([NH2+]CCc3cn(C)cn3)CC2)C1 ZINC000459662796 299158821 /nfs/dbraw/zinc/15/88/21/299158821.db2.gz ODIWQGSVASGSSN-QAPCUYQASA-N 2 0 304.482 2.595 20 0 DFADRP C[NH+](C)CCN1CCC([NH2+][C@@H]2CC[C@@H](c3ccccc3)C2)CC1 ZINC000130447156 185968821 /nfs/dbraw/zinc/96/88/21/185968821.db2.gz DLMOLWGICKBKIF-UYAOXDASSA-N 2 0 315.505 2.938 20 0 DFADRP CCOC(=O)[C@@]1(C)CCC[C@@H]1[NH2+]C1CC[NH+](C(C)(C)C)CC1 ZINC000597240511 398602501 /nfs/dbraw/zinc/60/25/01/398602501.db2.gz OOOFSWURMSDAGV-YJBOKZPZSA-N 2 0 310.482 2.961 20 0 DFADRP CSCc1cnc(CN(C)C[C@@H]2CCc3nccn3C2)s1 ZINC000590363333 398616962 /nfs/dbraw/zinc/61/69/62/398616962.db2.gz AATVIOBVPACFJH-LBPRGKRZSA-N 2 0 322.503 2.897 20 0 DFADRP C[C@H](c1ccc(Cl)cc1)[C@H](C)[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000280021302 215316865 /nfs/dbraw/zinc/31/68/65/215316865.db2.gz UAXABOPJFGBDLJ-ZQIUZPCESA-N 2 0 310.869 2.878 20 0 DFADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+][C@@H](C)c2ccncc2)[C@H](C)C1 ZINC000152496872 186079329 /nfs/dbraw/zinc/07/93/29/186079329.db2.gz LDSKFGRHVBWLDF-SOLBZPMBSA-N 2 0 305.466 2.869 20 0 DFADRP C[C@@H]1C[C@@H]([NH2+]CC(C)(C)N2CCc3ccccc3C2)CC[N@@H+]1C ZINC000155663964 186100786 /nfs/dbraw/zinc/10/07/86/186100786.db2.gz CCBQFJKZWRUCTL-APWZRJJASA-N 2 0 315.505 2.896 20 0 DFADRP [NH3+]Cc1ccc(C(=O)NCc2ccc(C[NH+]3CCCC3)cc2)cc1 ZINC000163853000 186140683 /nfs/dbraw/zinc/14/06/83/186140683.db2.gz BHFXQZYYGUIVHO-UHFFFAOYSA-N 2 0 323.440 2.671 20 0 DFADRP CC[N@H+](C)[C@@H](C(=O)NC1CC[NH+](C(C)C)CC1)c1ccccc1 ZINC000171475649 186165940 /nfs/dbraw/zinc/16/59/40/186165940.db2.gz HOTOXLOADBRXEC-GOSISDBHSA-N 2 0 317.477 2.668 20 0 DFADRP C[N@@H+]1CCC[C@@H]1CC[NH2+][C@@H](c1ccc2c(c1)OCCO2)C1CC1 ZINC000179725334 186210647 /nfs/dbraw/zinc/21/06/47/186210647.db2.gz ZGHJGTSVOKWNAU-VQIMIIECSA-N 2 0 316.445 2.983 20 0 DFADRP COCC[N@H+](C)CCCC1CC[NH+](Cc2ccn(C)c2)CC1 ZINC000093769426 398645014 /nfs/dbraw/zinc/64/50/14/398645014.db2.gz UPHSGSLRROECOG-UHFFFAOYSA-N 2 0 307.482 2.596 20 0 DFADRP C[C@H]1C[NH+](CCC2CC[NH+](Cc3ccn(C)c3)CC2)C[C@H](C)O1 ZINC000093844290 398647188 /nfs/dbraw/zinc/64/71/88/398647188.db2.gz ANXSGWLRUZIRLS-IRXDYDNUSA-N 2 0 319.493 2.736 20 0 DFADRP COC(=O)[C@@H]1CCC[C@@H]1[NH2+]C1CC[NH+]([C@@H]2CCC[C@@H](C)C2)CC1 ZINC000590658599 398647537 /nfs/dbraw/zinc/64/75/37/398647537.db2.gz UOOGCOMDGBYESH-DDBAPUKQSA-N 2 0 322.493 2.961 20 0 DFADRP C[C@H]([NH3+])C1CC[NH+](Cc2cccc(O)c2Br)CC1 ZINC000414675059 295814602 /nfs/dbraw/zinc/81/46/02/295814602.db2.gz QUIQEVPMKHAMBU-JTQLQIEISA-N 2 0 313.239 2.714 20 0 DFADRP C[NH+](C)C1(CNc2cc[nH+]c3cc(F)ccc23)CCOCC1 ZINC000072947376 398650435 /nfs/dbraw/zinc/65/04/35/398650435.db2.gz OYWFPMXSQVNFJB-UHFFFAOYSA-N 2 0 303.381 2.897 20 0 DFADRP C[C@@H]1C[C@@H](C[NH+]2CCC(C(=O)c3ccccc3)CC2)CC[NH2+]1 ZINC000414683495 295815791 /nfs/dbraw/zinc/81/57/91/295815791.db2.gz TZSZDOUTXYKEQT-CVEARBPZSA-N 2 0 300.446 2.969 20 0 DFADRP Cn1cc(C[NH2+]CC[C@H]2CCC[N@H+](C)C2)c(-c2ccccc2)n1 ZINC000459721012 299172325 /nfs/dbraw/zinc/17/23/25/299172325.db2.gz ACOFCOWRLOSQRZ-MRXNPFEDSA-N 2 0 312.461 2.909 20 0 DFADRP C[C@@H](CC(=O)Nc1ccc(F)cc1)[NH2+]CC[C@H]1CCC[N@H+](C)C1 ZINC000459726057 299174174 /nfs/dbraw/zinc/17/41/74/299174174.db2.gz GBLFDDMFNAQAEL-LSDHHAIUSA-N 2 0 321.440 2.864 20 0 DFADRP COc1cccc2c1CC[C@H]([NH2+]CC[C@@H]1CCC[N@H+](C)C1)C2 ZINC000459733027 299175756 /nfs/dbraw/zinc/17/57/56/299175756.db2.gz GFEIBQOZKPDAGD-RDJZCZTQSA-N 2 0 302.462 2.874 20 0 DFADRP C[N@@H+]1CC[C@H](CNC(=O)c2ccc(Nc3cc[nH+]cc3)cc2)C1 ZINC000073013036 398655416 /nfs/dbraw/zinc/65/54/16/398655416.db2.gz ZFGAEQROXHHWEJ-CQSZACIVSA-N 2 0 310.401 2.507 20 0 DFADRP COc1ccc(CC[C@H](C)[NH2+][C@H](C)[C@H]2CCC[NH2+]C2)cc1O ZINC000414819120 295821733 /nfs/dbraw/zinc/82/17/33/295821733.db2.gz GSNUXLGHHAAOLP-LZWOXQAQSA-N 2 0 306.450 2.700 20 0 DFADRP CCC[NH2+][C@H](C)C(=O)NCc1ccccc1C[NH+](CC)CC ZINC000294763158 186673059 /nfs/dbraw/zinc/67/30/59/186673059.db2.gz LWQYAZMYPGHDAW-OAHLLOKOSA-N 2 0 305.466 2.533 20 0 DFADRP CCc1ccccc1NC(=O)C[C@@H](C)[NH2+]CC[C@H]1CC[NH2+]C1 ZINC000414825006 295822587 /nfs/dbraw/zinc/82/25/87/295822587.db2.gz BPBRQQKZWZAJHO-HUUCEWRRSA-N 2 0 303.450 2.555 20 0 DFADRP COCC[C@@H](Cc1cccc(F)c1)[NH2+]CC[C@H]1CCC[NH2+]C1 ZINC000414831766 295823617 /nfs/dbraw/zinc/82/36/17/295823617.db2.gz DPZVTJHLTYKHGS-QAPCUYQASA-N 2 0 308.441 2.753 20 0 DFADRP COc1ccc2nc(C[NH2+]CC[C@@H]3CCC[NH2+]C3)sc2c1 ZINC000414830816 295823637 /nfs/dbraw/zinc/82/36/37/295823637.db2.gz CLYCETJMOFSWCD-LBPRGKRZSA-N 2 0 305.447 2.784 20 0 DFADRP CCCOc1c(C[NH2+]CC[C@@H]2CC[NH2+]C2)cccc1OCC ZINC000414826634 295822892 /nfs/dbraw/zinc/82/28/92/295822892.db2.gz FWUJUQXEOBTMQQ-HNNXBMFYSA-N 2 0 306.450 2.963 20 0 DFADRP C[N@@H+]1CCC[C@H](CC[NH2+]C2CCN(Cc3ccccc3)CC2)C1 ZINC000459738498 299177644 /nfs/dbraw/zinc/17/76/44/299177644.db2.gz RVSVAHFRPKFNCA-LJQANCHMSA-N 2 0 315.505 2.973 20 0 DFADRP C[C@H]([NH2+]Cc1cnc(-c2ccccn2)s1)[C@@H]1CCC[NH2+]C1 ZINC000414843958 295825100 /nfs/dbraw/zinc/82/51/00/295825100.db2.gz CEYBNFLRXBVSKE-QWHCGFSZSA-N 2 0 302.447 2.683 20 0 DFADRP CC(C)[NH+](CCNC(=O)c1cccc(C[NH+](C)C)c1)C(C)C ZINC000128539128 282983046 /nfs/dbraw/zinc/98/30/46/282983046.db2.gz VKIBNXYVNDPMQP-UHFFFAOYSA-N 2 0 305.466 2.597 20 0 DFADRP Cc1ccc(NC(=O)C[C@@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)c(C)c1 ZINC000414837842 295824643 /nfs/dbraw/zinc/82/46/43/295824643.db2.gz VZOMYQIKMIGDAZ-VPSFDDGASA-N 2 0 315.461 2.893 20 0 DFADRP C[C@@H]([NH2+]Cc1cc(Br)cs1)[C@H]1CCC[NH2+]C1 ZINC000414854009 295826389 /nfs/dbraw/zinc/82/63/89/295826389.db2.gz LSSDMYOLFBPLAQ-ZJUUUORDSA-N 2 0 303.269 2.988 20 0 DFADRP CC(C)C[C@@H](C[NH3+])NC1CC[NH+](CCc2ccccc2)CC1 ZINC000414853157 295826443 /nfs/dbraw/zinc/82/64/43/295826443.db2.gz RZMVMURUIOVMBT-IBGZPJMESA-N 2 0 303.494 2.657 20 0 DFADRP C[N@@H+]1CCC[C@H](CC[NH2+]Cc2cnc([C@@H]3CCCO3)s2)C1 ZINC000459744038 299179668 /nfs/dbraw/zinc/17/96/68/299179668.db2.gz XPFQQAPOKPFJJC-HIFRSBDPSA-N 2 0 309.479 2.816 20 0 DFADRP C[N@@H+]1CCC[C@H](CC[NH2+]C2CCN(C(=O)CC(C)(C)C)CC2)C1 ZINC000459745834 299180601 /nfs/dbraw/zinc/18/06/01/299180601.db2.gz YMIQJOGPCORDCB-MRXNPFEDSA-N 2 0 323.525 2.735 20 0 DFADRP C[C@@H](CC[NH3+])[NH2+]Cc1ccc(OC(F)F)c(Br)c1 ZINC000414893120 295831370 /nfs/dbraw/zinc/83/13/70/295831370.db2.gz XRLIPODJYXDKCC-QMMMGPOBSA-N 2 0 323.181 2.877 20 0 DFADRP [NH3+]CCCC[NH2+]Cc1nc(-c2ccc(Br)cc2)c[nH]1 ZINC000414905160 295833074 /nfs/dbraw/zinc/83/30/74/295833074.db2.gz NOZPMXBHPQDSEK-UHFFFAOYSA-N 2 0 323.238 2.668 20 0 DFADRP CCc1ccccc1NC(=O)C[C@H](C)[NH2+]CC[C@H]1CCC[NH2+]1 ZINC000414904038 295832746 /nfs/dbraw/zinc/83/27/46/295832746.db2.gz KSZBZVBKXKSXFF-GOEBONIOSA-N 2 0 303.450 2.698 20 0 DFADRP Cc1nn(-c2ccc(Cl)cc2)c(C)c1C[NH2+]CCCC[NH3+] ZINC000414912933 295834085 /nfs/dbraw/zinc/83/40/85/295834085.db2.gz VIXASZQKDHPPDT-UHFFFAOYSA-N 2 0 306.841 2.971 20 0 DFADRP CC(C)[C@H]1CC[C@@H](C)C[C@H]1[NH2+]C[C@@H](C)CN1CC[NH+](C)CC1 ZINC000121095493 282801842 /nfs/dbraw/zinc/80/18/42/282801842.db2.gz CUAVTHDTBPMTMP-NCXUSEDFSA-N 2 0 309.542 2.920 20 0 DFADRP [NH3+][C@H]1CCC[C@@H]([NH2+]Cc2cccc(OCC(F)(F)F)c2)C1 ZINC000414929504 295836455 /nfs/dbraw/zinc/83/64/55/295836455.db2.gz RPIHFTIEPPURFN-QWHCGFSZSA-N 2 0 302.340 2.987 20 0 DFADRP C[C@@H]1C[NH2+]CC[C@@H]1[NH2+]C1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000414946121 295838848 /nfs/dbraw/zinc/83/88/48/295838848.db2.gz SPZUXTLLFBJBGR-KDOFPFPSSA-N 2 0 321.896 2.892 20 0 DFADRP CCCCOc1ccc(C[NH2+][C@H]2CC[NH2+]C[C@H]2C)cc1OC ZINC000414960476 295841195 /nfs/dbraw/zinc/84/11/95/295841195.db2.gz QVIDXHIGKODUEA-ZBFHGGJFSA-N 2 0 306.450 2.962 20 0 DFADRP COc1ccc(C[C@@H](C)[NH2+]CCC[C@H]2CCC[NH2+]2)cc1OC ZINC000414961606 295841248 /nfs/dbraw/zinc/84/12/48/295841248.db2.gz IVSDEQDLPTVBBC-ZBFHGGJFSA-N 2 0 306.450 2.757 20 0 DFADRP Clc1cc(C[NH2+]CCC[C@H]2CCC[NH2+]2)cc2c1OCCO2 ZINC000414980403 295843763 /nfs/dbraw/zinc/84/37/63/295843763.db2.gz WOQWDAJMRMBUJZ-ZDUSSCGKSA-N 2 0 310.825 2.733 20 0 DFADRP COc1ccc(C[NH2+]C[C@H]2CCC[C@H]([NH3+])C2)c(Cl)c1OC ZINC000414999795 295845802 /nfs/dbraw/zinc/84/58/02/295845802.db2.gz SMQFCXBZPDIOFN-AAEUAGOBSA-N 2 0 312.841 2.964 20 0 DFADRP CC[N@H+](C)[C@H](C(=O)N1CCC[C@H]([NH2+]C(C)C)C1)c1ccccc1 ZINC000590810153 398679272 /nfs/dbraw/zinc/67/92/72/398679272.db2.gz FFJHMJJIGPMYPV-ROUUACIJSA-N 2 0 317.477 2.668 20 0 DFADRP c1cn2c(C[NH2+][C@@H]3C[C@H]3C3CC[NH2+]CC3)c(C3CC3)nc2s1 ZINC000415007552 295846584 /nfs/dbraw/zinc/84/65/84/295846584.db2.gz LKCWVXBWFNFXTO-UONOGXRCSA-N 2 0 316.474 2.751 20 0 DFADRP CCCn1c(C[NH2+][C@@H]2C[C@H]2C2CC[NH2+]CC2)nc2ccccc21 ZINC000415015382 295847559 /nfs/dbraw/zinc/84/75/59/295847559.db2.gz YNTAZVSQHAPHMD-DOTOQJQBSA-N 2 0 312.461 2.924 20 0 DFADRP C[C@H](CC(=O)Nc1cccc(F)c1)[NH2+]C[C@@H]1CCC[C@H]([NH3+])C1 ZINC000415013247 295847273 /nfs/dbraw/zinc/84/72/73/295847273.db2.gz YHCXHXBOWRPLJW-NFAWXSAZSA-N 2 0 307.413 2.650 20 0 DFADRP COc1ccc2c(c1)C[C@@H]([NH2+]C[C@H]1CC[C@H](C[NH3+])CC1)CC2 ZINC000415023686 295848105 /nfs/dbraw/zinc/84/81/05/295848105.db2.gz LQZIQLFKHSRNEE-MPGHIAIKSA-N 2 0 302.462 2.907 20 0 DFADRP C[C@H](CC(=O)N(C)c1ccccc1)[NH2+]CC[C@@H]1CCC[N@H+](C)C1 ZINC000459789187 299193161 /nfs/dbraw/zinc/19/31/61/299193161.db2.gz QHESURUDEJSWOA-SJORKVTESA-N 2 0 317.477 2.750 20 0 DFADRP COc1ccc2c(c1)C[C@H]([NH2+]CC[C@@H]1CCC[N@H+](C)C1)CC2 ZINC000459791025 299194113 /nfs/dbraw/zinc/19/41/13/299194113.db2.gz ROWJZDNXQVWOAT-MAUKXSAKSA-N 2 0 302.462 2.874 20 0 DFADRP COc1ccc(C[NH2+][C@@H]2CC[C@H](C[NH3+])C2)c(OC(F)F)c1 ZINC000415045799 295850912 /nfs/dbraw/zinc/85/09/12/295850912.db2.gz UJFYKFFRVOZENM-CMPLNLGQSA-N 2 0 300.349 2.514 20 0 DFADRP CNC(=O)c1ccc(C[NH2+][C@@H](CCC[NH3+])c2ccccc2)cc1 ZINC000415051949 295851530 /nfs/dbraw/zinc/85/15/30/295851530.db2.gz KEMRLADMIIHROS-SFHVURJKSA-N 2 0 311.429 2.616 20 0 DFADRP CSc1ccc([C@H](C)[NH2+]C[C@@H](C)N2CC[NH+](C)CC2)cc1 ZINC000173390422 198208881 /nfs/dbraw/zinc/20/88/81/198208881.db2.gz AKOSTTWEAIIEND-CABCVRRESA-N 2 0 307.507 2.695 20 0 DFADRP CC(C)N(C)c1ccc(C[NH2+]CC[C@@H]2CCC[N@H+](C)C2)cn1 ZINC000459795478 299195703 /nfs/dbraw/zinc/19/57/03/299195703.db2.gz VKJRTLZXIFMDMD-INIZCTEOSA-N 2 0 304.482 2.748 20 0 DFADRP CC(=O)Nc1cccc(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)c1 ZINC000415084979 295856159 /nfs/dbraw/zinc/85/61/59/295856159.db2.gz PJRAWODWGCBETD-OKZBNKHCSA-N 2 0 301.434 2.655 20 0 DFADRP c1cnn(Cc2cccc(C[NH2+][C@@H]3CCC[C@H]3[C@H]3CCC[NH2+]3)c2)c1 ZINC000415089864 295856879 /nfs/dbraw/zinc/85/68/79/295856879.db2.gz YHXUIQRGLCJFFC-XUVXKRRUSA-N 2 0 324.472 2.942 20 0 DFADRP CC[NH+](CC)C[C@H]1CC[N@H+](CCC(=O)Nc2ccccc2)C1 ZINC000174220068 198307341 /nfs/dbraw/zinc/30/73/41/198307341.db2.gz CQHJRLMTSYMIMK-MRXNPFEDSA-N 2 0 303.450 2.679 20 0 DFADRP CC[NH+](CC)C[C@@H]1CC[N@H+](CCC(=O)Nc2ccccc2)C1 ZINC000174220057 198307606 /nfs/dbraw/zinc/30/76/06/198307606.db2.gz CQHJRLMTSYMIMK-INIZCTEOSA-N 2 0 303.450 2.679 20 0 DFADRP Cc1ccc(F)c(C[NH+]2CCC([C@@H]3OCCC[C@H]3[NH3+])CC2)c1 ZINC000415114540 295860080 /nfs/dbraw/zinc/86/00/80/295860080.db2.gz VLJBFFMFAFGJLA-MSOLQXFVSA-N 2 0 306.425 2.852 20 0 DFADRP C[C@H](CC1CCOCC1)C[NH+]1CCC([C@H]2C[C@@H]([NH3+])CCO2)CC1 ZINC000415123058 295861256 /nfs/dbraw/zinc/86/12/56/295861256.db2.gz KRZCXFHTUKZMSI-AYOQOUSVSA-N 2 0 324.509 2.658 20 0 DFADRP c1cnn(Cc2ccc(C[NH2+][C@@H]3CCC[C@H]3[C@H]3CCC[NH2+]3)cc2)c1 ZINC000415124681 295861374 /nfs/dbraw/zinc/86/13/74/295861374.db2.gz RFHFJUIQUBXUAJ-XUVXKRRUSA-N 2 0 324.472 2.942 20 0 DFADRP CC[NH+](CC)[C@@H](CNC(=O)C1CC[NH+](C)CC1)c1ccccc1 ZINC000174520150 198345830 /nfs/dbraw/zinc/34/58/30/198345830.db2.gz LNIWMWYABVOBAC-SFHVURJKSA-N 2 0 317.477 2.528 20 0 DFADRP [NH3+][C@H]1CCO[C@H](C2CC[NH+](Cc3cc(F)cc(F)c3)CC2)C1 ZINC000415129935 295862391 /nfs/dbraw/zinc/86/23/91/295862391.db2.gz VQNHRTZSHANJRO-IRXDYDNUSA-N 2 0 310.388 2.683 20 0 DFADRP CC[NH+](CC)[C@H]1CCN(C(=O)Nc2cccc(C[NH+](C)C)c2)C1 ZINC000174869915 198395249 /nfs/dbraw/zinc/39/52/49/198395249.db2.gz SVHUXWJNUAGXCY-KRWDZBQOSA-N 2 0 318.465 2.696 20 0 DFADRP CN1CC[NH+](CCCC[NH2+][C@H]2CCC[C@@H](C(F)(F)F)C2)CC1 ZINC000129279253 283009181 /nfs/dbraw/zinc/00/91/81/283009181.db2.gz WVUKVMGNLSSCPN-CABCVRRESA-N 2 0 321.431 2.725 20 0 DFADRP CC1CC[NH+](C[C@H](O)C[NH2+][C@H]2CCC[C@H](C(F)(F)F)C2)CC1 ZINC000129816578 283029256 /nfs/dbraw/zinc/02/92/56/283029256.db2.gz XOGBFKLXMSQVJP-SOUVJXGZSA-N 2 0 322.415 2.790 20 0 DFADRP C[N@@H+]1CC[C@H](C(=O)Nc2cccc(C[NH+]3CCCCC3)c2)C1 ZINC000591097632 398726951 /nfs/dbraw/zinc/72/69/51/398726951.db2.gz YATGEZUTOAXELL-INIZCTEOSA-N 2 0 301.434 2.563 20 0 DFADRP CC(C)N(C)CC[NH2+]C[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000130061340 283038610 /nfs/dbraw/zinc/03/86/10/283038610.db2.gz RLQSSDNYZBJSCX-OAHLLOKOSA-N 2 0 313.486 2.563 20 0 DFADRP C[NH+](C)C1CCN(CC[NH2+][C@H]2CCC[C@H](C(F)(F)F)C2)CC1 ZINC000130136785 283040560 /nfs/dbraw/zinc/04/05/60/283040560.db2.gz YFZQQYUBUUGYJI-KBPBESRZSA-N 2 0 321.431 2.723 20 0 DFADRP CCC[C@@H]1C[NH+](CCCC[N@@H+]2CCO[C@@H](CCC)C2)CCO1 ZINC000131325078 283080348 /nfs/dbraw/zinc/08/03/48/283080348.db2.gz CGNLXVLGRNSYIP-HDICACEKSA-N 2 0 312.498 2.768 20 0 DFADRP C[NH2+]Cc1cccc(NC(=O)N(C)[C@H](C)C2CC[NH+](C)CC2)c1 ZINC000415936970 295904443 /nfs/dbraw/zinc/90/44/43/295904443.db2.gz WOEZXXIAULWKLO-CQSZACIVSA-N 2 0 318.465 2.600 20 0 DFADRP CCCN(CCC[NH+](C)C)C(=O)Nc1cccc(C[NH2+]C)c1 ZINC000415958377 295905980 /nfs/dbraw/zinc/90/59/80/295905980.db2.gz LFWBQGLDWMWIRC-UHFFFAOYSA-N 2 0 306.454 2.602 20 0 DFADRP [NH3+]Cc1ccc(NC(=O)NCCC[NH2+]C2CCCCC2)cc1 ZINC000415968538 295907311 /nfs/dbraw/zinc/90/73/11/295907311.db2.gz CGARNFUJPNPQGY-UHFFFAOYSA-N 2 0 304.438 2.579 20 0 DFADRP C[NH2+]Cc1ccc(NC(=O)NC[C@@H](C)C[NH+]2CCCCC2)cc1 ZINC000415968507 295907350 /nfs/dbraw/zinc/90/73/50/295907350.db2.gz DITMSKNOFLRQLO-OAHLLOKOSA-N 2 0 318.465 2.650 20 0 DFADRP CCC(CC)[C@H](CNC(=O)Nc1ccc(C[NH2+]C)cc1)[NH+](C)C ZINC000415973954 295907624 /nfs/dbraw/zinc/90/76/24/295907624.db2.gz PVPWOBXPJSJVOJ-KRWDZBQOSA-N 2 0 320.481 2.894 20 0 DFADRP CC[NH+](CC)CC1CC[NH+](CC(=O)N2C[C@H](C)C[C@H](C)C2)CC1 ZINC000047977831 398766993 /nfs/dbraw/zinc/76/69/93/398766993.db2.gz GVHHRZABLJNWTK-CALCHBBNSA-N 2 0 323.525 2.545 20 0 DFADRP CC[NH+]1CCN(C[C@H](C)C[NH2+]C[C@@H]2C(C)=CCC[C@H]2C)CC1 ZINC000134154177 283174941 /nfs/dbraw/zinc/17/49/41/283174941.db2.gz RCILTENSLFGVAB-BHIYHBOVSA-N 2 0 307.526 2.842 20 0 DFADRP CCC[N@H+](C)C[C@H]1CC[NH+](CCC(=O)Nc2ccccc2)C1 ZINC000081571016 192293804 /nfs/dbraw/zinc/29/38/04/192293804.db2.gz LUQZKRYOPJBGKO-MRXNPFEDSA-N 2 0 303.450 2.679 20 0 DFADRP CC[NH+](CC)CCCCNC(=O)[C@H](C)[C@H]([NH3+])c1ccccc1 ZINC000236845195 202036100 /nfs/dbraw/zinc/03/61/00/202036100.db2.gz HRFXJQUKZVFOQJ-WBVHZDCISA-N 2 0 305.466 2.561 20 0 DFADRP CCC[C@H]([NH3+])C(=O)NC[C@@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC000236874796 202047081 /nfs/dbraw/zinc/04/70/81/202047081.db2.gz ZWHPUSZBAKBHCB-HOTGVXAUSA-N 2 0 323.868 2.721 20 0 DFADRP CCC[C@H]([NH3+])C(=O)NCc1ccc(C[NH+]2CCC(C)CC2)cc1 ZINC000236886773 202053121 /nfs/dbraw/zinc/05/31/21/202053121.db2.gz AQKMQOLACSENAA-SFHVURJKSA-N 2 0 317.477 2.662 20 0 DFADRP CC[NH+](CC)[C@H](CNC(=O)[C@@H]([NH3+])C(C)(C)C)c1ccccc1 ZINC000236879013 202048958 /nfs/dbraw/zinc/04/89/58/202048958.db2.gz PDLLXUWMDJPZBU-HZPDHXFCSA-N 2 0 305.466 2.559 20 0 DFADRP C[NH+](C)[C@H](CC(=O)N1CCC[C@H]([NH+](C)C)CC1)c1ccccc1 ZINC000416225789 295932116 /nfs/dbraw/zinc/93/21/16/295932116.db2.gz TXXROCRBBMSLJL-ZWKOTPCHSA-N 2 0 317.477 2.622 20 0 DFADRP c1ccc(C[NH+]2CCC(C[NH2+]CC3=CCCOC3)CC2)cc1 ZINC000178161732 198825247 /nfs/dbraw/zinc/82/52/47/198825247.db2.gz QODUYSYRHOFDTJ-UHFFFAOYSA-N 2 0 300.446 2.835 20 0 DFADRP CCC[C@@H](C(=O)NCCCC[N@H+]1C[C@H](C)C[C@H](C)C1)[NH+](C)C ZINC000136206382 283237205 /nfs/dbraw/zinc/23/72/05/283237205.db2.gz RVPPUXIXCQCLBP-BBWFWOEESA-N 2 0 311.514 2.591 20 0 DFADRP CC[NH+](CC)Cc1cccc(C[NH2+][C@H](C)Cn2cccn2)c1 ZINC000138120042 283255997 /nfs/dbraw/zinc/25/59/97/283255997.db2.gz QNFLMPMDALFEAH-MRXNPFEDSA-N 2 0 300.450 2.903 20 0 DFADRP C[N@@H+]1CCC[C@@H]1CC[NH2+]C1(c2ccc(F)cc2)CCOCC1 ZINC000179469846 199041807 /nfs/dbraw/zinc/04/18/07/199041807.db2.gz JLXODDYBRYHDKL-QGZVFWFLSA-N 2 0 306.425 2.905 20 0 DFADRP CC[NH+]1CCN(c2ccccc2N[C@H]2CC[N@H+](C)[C@H](C)C2)CC1 ZINC000179776710 199078772 /nfs/dbraw/zinc/07/87/72/199078772.db2.gz MQAYSUHLVBBMDU-SJORKVTESA-N 2 0 316.493 2.723 20 0 DFADRP CC[C@H](COC)[NH2+][C@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000180166648 199125899 /nfs/dbraw/zinc/12/58/99/199125899.db2.gz XCVPNHCBSZQBKS-RDGPPVDQSA-N 2 0 302.462 2.912 20 0 DFADRP COC(=O)c1cc(C[N@@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)oc1C ZINC000594734590 398851433 /nfs/dbraw/zinc/85/14/33/398851433.db2.gz BZOGQEPESOMPLM-HNNXBMFYSA-N 2 0 320.433 2.586 20 0 DFADRP CC[NH+]1CCN([C@@H](C)C[NH2+][C@@H](C)c2ccc(F)c(OC)c2)CC1 ZINC000152909951 283344536 /nfs/dbraw/zinc/34/45/36/283344536.db2.gz IXGYCONGNPNUTG-GJZGRUSLSA-N 2 0 323.456 2.511 20 0 DFADRP C[C@H]([NH2+]CCOCC(F)F)c1ccc(OCC[NH+](C)C)cc1 ZINC000276646466 213020364 /nfs/dbraw/zinc/02/03/64/213020364.db2.gz LRWFMYMIWZSKFY-ZDUSSCGKSA-N 2 0 316.392 2.559 20 0 DFADRP C[C@@H](CC(=O)NC1CC[NH+](C2CCCC2)CC1)[C@@H]1CCC[NH2+]C1 ZINC000237399669 202255310 /nfs/dbraw/zinc/25/53/10/202255310.db2.gz AASIOWYTJFXZJJ-JKSUJKDBSA-N 2 0 321.509 2.535 20 0 DFADRP C[C@H]([NH2+]C[C@@H]1CC[C@@H](O)C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000276626478 213008908 /nfs/dbraw/zinc/00/89/08/213008908.db2.gz NBDHSZRDRBQWPE-JCHJZTRSSA-N 2 0 302.462 2.648 20 0 DFADRP C[C@@H](CC(=O)NCCC[N@H+](C)C1CCCCC1)[C@@H]1CCC[NH2+]C1 ZINC000237423876 202261015 /nfs/dbraw/zinc/26/10/15/202261015.db2.gz DMZNENQRTIXGLJ-DLBZAZTESA-N 2 0 323.525 2.783 20 0 DFADRP C[C@H](CCC1CC1)[NH2+]Cc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000186232685 199932538 /nfs/dbraw/zinc/93/25/38/199932538.db2.gz XHCFPQXCCZRVFG-OAHLLOKOSA-N 2 0 302.466 2.502 20 0 DFADRP C(C[NH+]1CCCO[C@@H]2CCC[C@H]21)C[N@@H+]1CCCO[C@H]2CCC[C@@H]21 ZINC000077316979 398897714 /nfs/dbraw/zinc/89/77/14/398897714.db2.gz ROQKJHVQXMACGJ-QGFMHUBQSA-N 2 0 322.493 2.663 20 0 DFADRP CC(C)[C@H](C[NH2+]C[C@H](C)N1CC[NH+](C)CC1)c1ccccc1 ZINC000280916553 215962449 /nfs/dbraw/zinc/96/24/49/215962449.db2.gz PKNLBYNYRRVZHQ-HKUYNNGSSA-N 2 0 303.494 2.652 20 0 DFADRP CSCC1CCC([NH2+][C@@H](C)CN(C)CCC[NH+](C)C)CC1 ZINC000595058800 398899845 /nfs/dbraw/zinc/89/98/45/398899845.db2.gz CSSVYXDXIPKKHS-GTPINHCMSA-N 2 0 315.571 2.770 20 0 DFADRP C[N@@H+]1CC[C@@H]([NH2+][C@@H]2CC[C@H](C(=O)OC(C)(C)C)C2)CC1(C)C ZINC000598981094 398902266 /nfs/dbraw/zinc/90/22/66/398902266.db2.gz MCGUWPHBALLGPL-RRFJBIMHSA-N 2 0 310.482 2.959 20 0 DFADRP C[N@@H+]1CC[C@H]([NH2+]CC2(C(=O)OC(C)(C)C)CCC2)[C@@H]2CCC[C@H]21 ZINC000595098121 398904473 /nfs/dbraw/zinc/90/44/73/398904473.db2.gz AUCJZVWRIQIZAG-HRCADAONSA-N 2 0 322.493 2.961 20 0 DFADRP CC(C)[NH+]1CCC([NH2+]CC2(C(=O)OC(C)(C)C)CCC2)CC1 ZINC000595100185 398905581 /nfs/dbraw/zinc/90/55/81/398905581.db2.gz RMRNKNQAEKMFAT-UHFFFAOYSA-N 2 0 310.482 2.961 20 0 DFADRP C[C@@H](CC(=O)OC(C)(C)C)[NH2+]CC1CC[NH+](CC2CC2)CC1 ZINC000595103982 398906105 /nfs/dbraw/zinc/90/61/05/398906105.db2.gz PWXNSCVZMHIEAH-AWEZNQCLSA-N 2 0 310.482 2.818 20 0 DFADRP CCCc1cccc(C[NH2+]C2CCN(CC[NH+](C)C)CC2)c1 ZINC000187117267 200064046 /nfs/dbraw/zinc/06/40/46/200064046.db2.gz YXZDBECOICRACR-UHFFFAOYSA-N 2 0 303.494 2.755 20 0 DFADRP CC[N@@H+]1CC[C@H](C[NH2+]Cc2ccc3c(c2)COC(C)(C)O3)C1 ZINC000187115359 200064410 /nfs/dbraw/zinc/06/44/10/200064410.db2.gz LKLKBMFRCLTYBL-OAHLLOKOSA-N 2 0 304.434 2.763 20 0 DFADRP CCCc1cccc(C[NH2+]CCCN2CC[NH+](CC)CC2)c1 ZINC000187121798 200064881 /nfs/dbraw/zinc/06/48/81/200064881.db2.gz NGURWMMZUALHBV-UHFFFAOYSA-N 2 0 303.494 2.756 20 0 DFADRP C[C@@H](C[NH2+]CCC[NH+]1CCC(O)CC1)c1cccc(Cl)c1 ZINC000187708822 200147538 /nfs/dbraw/zinc/14/75/38/200147538.db2.gz PIUQNLJHAVVJEE-AWEZNQCLSA-N 2 0 310.869 2.880 20 0 DFADRP CC(C)[N@H+](C)Cc1cccc(CNC(=O)c2coc(C[NH3+])c2)c1 ZINC000188123921 200198013 /nfs/dbraw/zinc/19/80/13/200198013.db2.gz DBACJEWWDUJHQU-UHFFFAOYSA-N 2 0 315.417 2.509 20 0 DFADRP C[C@H](C(=O)NCCC[NH+]1CCCCCC1)[C@H]([NH3+])c1ccccc1 ZINC000237568592 202286550 /nfs/dbraw/zinc/28/65/50/202286550.db2.gz ZKEMTOPJHTYLHY-WMZOPIPTSA-N 2 0 317.477 2.705 20 0 DFADRP Cc1nccnc1[C@H](C)[NH2+]CC1CCN(c2cc[nH+]cc2)CC1 ZINC000188167070 200203443 /nfs/dbraw/zinc/20/34/43/200203443.db2.gz ZILLLEBGHYHKNO-HNNXBMFYSA-N 2 0 311.433 2.747 20 0 DFADRP COCC[N@H+](C)CCC[NH2+][C@@H]1CCC[C@@H](c2ncccc2C)C1 ZINC000281136156 216102704 /nfs/dbraw/zinc/10/27/04/216102704.db2.gz FLQFNNJOAWROKJ-QZTJIDSGSA-N 2 0 319.493 2.974 20 0 DFADRP [NH3+]C1CCN(CC(=O)N(Cc2ccccc2)c2ccccc2)CC1 ZINC000237856149 202370530 /nfs/dbraw/zinc/37/05/30/202370530.db2.gz VQLQWJBKZJRTIW-UHFFFAOYSA-N 2 0 323.440 2.643 20 0 DFADRP C[C@@H](CN1CC[NH+](C)CC1)[NH2+][C@H]1CC[C@H](Cc2ccccc2)C1 ZINC000189174502 200359815 /nfs/dbraw/zinc/35/98/15/200359815.db2.gz OWNBAJJWVYWJSV-SXLOBPIMSA-N 2 0 315.505 2.623 20 0 DFADRP Cn1cc(C[N@@H+]2CCCC[C@H]2[C@H](C[NH3+])Cc2ccccc2)cn1 ZINC000471837063 299309001 /nfs/dbraw/zinc/30/90/01/299309001.db2.gz YTISLVYDBJCKFS-OALUTQOASA-N 2 0 312.461 2.592 20 0 DFADRP COC(=O)CCCC[N@@H+]1CCC[C@@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000599296326 398949557 /nfs/dbraw/zinc/94/95/57/398949557.db2.gz UYUYCRZKUMRSCP-DLBZAZTESA-N 2 0 310.482 2.916 20 0 DFADRP CCC[NH+]1CCC(N[C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000078420917 398955585 /nfs/dbraw/zinc/95/55/85/398955585.db2.gz NVUJLODUABRIDG-IBGZPJMESA-N 2 0 301.478 2.725 20 0 DFADRP C[C@@H]1[C@H]([N@H+](C)CCO)CCN1c1ccnc2c(Cl)cccc12 ZINC000292455160 223092766 /nfs/dbraw/zinc/09/27/66/223092766.db2.gz ZOXKIZMSIHSLTO-IUODEOHRSA-N 2 0 319.836 2.780 20 0 DFADRP Cc1ccccc1NC(=O)C[C@@H](C)[NH2+]CC1=CC[N@H+](C)CC1 ZINC000271885115 209296125 /nfs/dbraw/zinc/29/61/25/209296125.db2.gz QJXFRSJXWUIGTA-OAHLLOKOSA-N 2 0 301.434 2.564 20 0 DFADRP CC[C@H](C(=O)OC)[NH+]1CCC(Cc2nc3ccccc3[nH]2)CC1 ZINC000595552523 398967916 /nfs/dbraw/zinc/96/79/16/398967916.db2.gz XWYSGJSDACJRGE-MRXNPFEDSA-N 2 0 315.417 2.769 20 0 DFADRP C[C@H]([NH2+]CCCCCCO)c1ccc(OCC[NH+](C)C)cc1 ZINC000271886327 209295380 /nfs/dbraw/zinc/29/53/80/209295380.db2.gz QSFCDIZYWCZCQB-INIZCTEOSA-N 2 0 308.466 2.830 20 0 DFADRP c1cc(CCC[N@@H+]2CC[C@H](C[NH+]3CCCC3)C2)cc2c1OCC2 ZINC000193253626 201014775 /nfs/dbraw/zinc/01/47/75/201014775.db2.gz JBQPVWOSLVUZCO-GOSISDBHSA-N 2 0 314.473 2.972 20 0 DFADRP C[N@H+](CCSCCC[NH+]1CCOCC1)Cc1ccccc1 ZINC000193620003 201087383 /nfs/dbraw/zinc/08/73/83/201087383.db2.gz PGJNYTPFJDVMDK-UHFFFAOYSA-N 2 0 308.491 2.574 20 0 DFADRP COc1ccc(CC[N@@H+]2CC[C@H](C[NH+](C)CC3CC3)C2)cc1 ZINC000472485869 299326328 /nfs/dbraw/zinc/32/63/28/299326328.db2.gz ZIYAZMCZZDTATA-GOSISDBHSA-N 2 0 302.462 2.901 20 0 DFADRP CC[NH+](CC)Cc1ccc(C(=O)NC[C@@H]2CCC[N@@H+]2CC)cc1 ZINC000078670205 398978757 /nfs/dbraw/zinc/97/87/57/398978757.db2.gz ORTXJSSXCFUMMU-SFHVURJKSA-N 2 0 317.477 2.743 20 0 DFADRP COc1cc(C[N@H+](C)CC2CC[NH+](C[C@H](C)O)CC2)ccc1C ZINC000193903440 201141852 /nfs/dbraw/zinc/14/18/52/201141852.db2.gz ZVOZMGKMFLVMEN-INIZCTEOSA-N 2 0 320.477 2.528 20 0 DFADRP CC[C@H](C[NH2+][C@@H](C)CCN1CC[NH+](C)CC1)c1ccccc1 ZINC000473072576 299328660 /nfs/dbraw/zinc/32/86/60/299328660.db2.gz QOEVTFDRBJDSAP-ZWKOTPCHSA-N 2 0 303.494 2.796 20 0 DFADRP CSC1(C[NH2+]Cc2cnc3ccccc3n2)CC[NH+](C)CC1 ZINC000600163152 398980610 /nfs/dbraw/zinc/98/06/10/398980610.db2.gz AHQBKPLDAMNREC-UHFFFAOYSA-N 2 0 316.474 2.547 20 0 DFADRP C[NH+](C)Cc1cc(C[NH2+][C@H]2[C@H]3CCO[C@H]3C23CCC3)ccc1F ZINC000194043002 201169345 /nfs/dbraw/zinc/16/93/45/201169345.db2.gz DECFCUROCLCDSE-BPQIPLTHSA-N 2 0 318.436 2.935 20 0 DFADRP Cc1cc(NCCN2CC[N@@H+](C)C(C)(C)C2)c2ccccc2[nH+]1 ZINC000281553217 216380076 /nfs/dbraw/zinc/38/00/76/216380076.db2.gz CGLCPPOTAXUYOZ-UHFFFAOYSA-N 2 0 312.461 2.981 20 0 DFADRP C[NH2+]CCC1CCN(C(=O)C(C)(C)[C@H]([NH3+])c2ccccc2)CC1 ZINC000417808896 296053417 /nfs/dbraw/zinc/05/34/17/296053417.db2.gz LZXXEIUWMMSDFE-QGZVFWFLSA-N 2 0 317.477 2.561 20 0 DFADRP COc1cc(C[NH2+]CC2=CC[N@H+](C)CC2)ccc1OC(C)C ZINC000271840778 209259415 /nfs/dbraw/zinc/25/94/15/209259415.db2.gz QRZHVUSXPZMAHP-UHFFFAOYSA-N 2 0 304.434 2.834 20 0 DFADRP CC[N@H+](C)Cc1cccc(CNC(=O)CC[C@H]2CCC[NH2+]C2)c1 ZINC000621642829 399007207 /nfs/dbraw/zinc/00/72/07/399007207.db2.gz WVNNNXAVASCMCU-MRXNPFEDSA-N 2 0 317.477 2.534 20 0 DFADRP C[N@H+]1CC=C(C[NH2+]Cc2c[nH]nc2-c2ccc(F)cc2)CC1 ZINC000271803086 209229586 /nfs/dbraw/zinc/22/95/86/209229586.db2.gz JIMWOJXSJWOIKA-UHFFFAOYSA-N 2 0 300.381 2.567 20 0 DFADRP c1nn(-c2ccccc2)nc1C[NH2+]CCCCC[NH+]1CCCC1 ZINC000292993675 223342263 /nfs/dbraw/zinc/34/22/63/223342263.db2.gz MLAQTFZEJSBJDV-UHFFFAOYSA-N 2 0 313.449 2.623 20 0 DFADRP C[C@H](C[NH2+][C@@H](c1ccccc1)C1CC1)CN1CC[NH+](C)CC1 ZINC000091320548 193040228 /nfs/dbraw/zinc/04/02/28/193040228.db2.gz ONJOPNWAOCBWQF-APWZRJJASA-N 2 0 301.478 2.611 20 0 DFADRP CCCC[C@@H](C[NH3+])NC(=O)NC[C@H]1CCC[N@@H+]1C1CCCCC1 ZINC000418143977 296080650 /nfs/dbraw/zinc/08/06/50/296080650.db2.gz RQZWHSGIRBBWIY-DOTOQJQBSA-N 2 0 324.513 2.600 20 0 DFADRP CCC[N@H+](CC)Cc1ccc(C(=O)N(C)CC2C[NH+](C)C2)cc1 ZINC000618194143 399039465 /nfs/dbraw/zinc/03/94/65/399039465.db2.gz RPIHSFWOVIMWDQ-UHFFFAOYSA-N 2 0 317.477 2.552 20 0 DFADRP CCCN(CC[NH+]1CCCCCC1)C(=O)NC1CCC([NH3+])CC1 ZINC000418393241 296092481 /nfs/dbraw/zinc/09/24/81/296092481.db2.gz DZKFQVOXXLSEOJ-UHFFFAOYSA-N 2 0 324.513 2.554 20 0 DFADRP CC[C@@H](C)[NH2+][C@H](CNC(=O)Nc1ccnc(C)c1)c1ccco1 ZINC000479075017 299371565 /nfs/dbraw/zinc/37/15/65/299371565.db2.gz ADDSQWKBTLTAPV-IUODEOHRSA-N 2 0 316.405 2.656 20 0 DFADRP COC(=O)[C@@H]1CC[N@H+](CC[C@@H]2CCC[NH+]2C)[C@@H]2CCCC[C@@H]12 ZINC000595734608 399061958 /nfs/dbraw/zinc/06/19/58/399061958.db2.gz UJJJNDBLVFFCPO-MWDXBVQZSA-N 2 0 308.466 2.524 20 0 DFADRP CC(=O)N1CC[C@H]([NH2+]C[C@H](C)C[NH+]2CCCC2)c2ccccc21 ZINC000621750400 399065487 /nfs/dbraw/zinc/06/54/87/399065487.db2.gz OMYAODAXMCLCGV-YJBOKZPZSA-N 2 0 315.461 2.806 20 0 DFADRP Cc1cccc(C)c1C[NH+]1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000606433749 399068502 /nfs/dbraw/zinc/06/85/02/399068502.db2.gz JBUOXGYFGVRYCK-SFHVURJKSA-N 2 0 301.478 2.515 20 0 DFADRP CCO[C@@H]1CCC[NH+](C/C=C\C[N@H+]2CCC[C@H](OCC)C2)C1 ZINC000606439223 399069788 /nfs/dbraw/zinc/06/97/88/399069788.db2.gz LHFHNXKMGWIFEJ-SPCWZHTESA-N 2 0 310.482 2.544 20 0 DFADRP CC[N@H+](C)[C@@H](C(=O)NCC[NH+](C(C)C)C(C)C)c1ccccc1 ZINC000057893088 399070205 /nfs/dbraw/zinc/07/02/05/399070205.db2.gz RMLLRJKEEJUWKE-GOSISDBHSA-N 2 0 319.493 2.914 20 0 DFADRP C[C@H]([NH2+][C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1)c1ccc(NC(N)=O)cc1 ZINC000261800662 299379334 /nfs/dbraw/zinc/37/93/34/299379334.db2.gz URMXKBHTWBCDQF-WBQNTZJQSA-N 2 0 316.449 2.749 20 0 DFADRP CCC[C@@H]([NH2+]C(C)C)C(=O)NCCC[N@H+](C)C1CCCCC1 ZINC000480349433 299387521 /nfs/dbraw/zinc/38/75/21/299387521.db2.gz QUEGXKWBQLYIEQ-QGZVFWFLSA-N 2 0 311.514 2.924 20 0 DFADRP CCc1cc(N2CC[C@@](C)(NCC(=O)OC(C)(C)C)C2)cc[nH+]1 ZINC000418950340 296121617 /nfs/dbraw/zinc/12/16/17/296121617.db2.gz QNPXYFKAAFROQM-GOSISDBHSA-N 2 0 319.449 2.544 20 0 DFADRP C[C@@H]([NH2+]CCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccc(F)cn1 ZINC000271287885 296121980 /nfs/dbraw/zinc/12/19/80/296121980.db2.gz DLOLXAWMSMEJRA-QLFBSQMISA-N 2 0 309.429 2.761 20 0 DFADRP CCc1cc(N2CC[C@](C)(NCC(=O)OC(C)(C)C)C2)cc[nH+]1 ZINC000418950341 296121518 /nfs/dbraw/zinc/12/15/18/296121518.db2.gz QNPXYFKAAFROQM-SFHVURJKSA-N 2 0 319.449 2.544 20 0 DFADRP C(CC1CC[NH+](CCOCC2CCC2)CC1)C[NH+]1CCOCC1 ZINC000419236555 296129314 /nfs/dbraw/zinc/12/93/14/296129314.db2.gz BFPAJJSRVXEXKT-UHFFFAOYSA-N 2 0 324.509 2.628 20 0 DFADRP CC[NH+](CC)[C@H](CNC(=O)[C@H]1CCC[C@H]([NH3+])C1)c1ccccc1 ZINC000261640782 203085330 /nfs/dbraw/zinc/08/53/30/203085330.db2.gz DBQTYNSWFNEIHO-OKZBNKHCSA-N 2 0 317.477 2.703 20 0 DFADRP C[C@@H](C(=O)NCC1([NH+](C)C)CCCCC1)[C@H]([NH3+])c1ccccc1 ZINC000261648436 203087780 /nfs/dbraw/zinc/08/77/80/203087780.db2.gz FBTFPIIGFFUSEY-WBVHZDCISA-N 2 0 317.477 2.703 20 0 DFADRP CC[NH+]1CCN(CCC[NH2+][C@@H](C)Cc2cccc(Cl)c2)CC1 ZINC000338420646 284110842 /nfs/dbraw/zinc/11/08/42/284110842.db2.gz BAECLWFOYJWYMU-INIZCTEOSA-N 2 0 323.912 2.888 20 0 DFADRP CC[NH+](CC)[C@@H](CNC(=O)CC[C@@H]1CC[NH2+]C1)c1ccccc1 ZINC000261713344 203099243 /nfs/dbraw/zinc/09/92/43/203099243.db2.gz LGSKEMJQGFQKIH-AEFFLSMTSA-N 2 0 317.477 2.575 20 0 DFADRP CC[NH+](CC)Cc1ccccc1CNC(=O)[C@@H]1CCC[C@@H]1C[NH3+] ZINC000261812563 203122893 /nfs/dbraw/zinc/12/28/93/203122893.db2.gz SBCNAGDLMFHVOB-CRAIPNDOSA-N 2 0 317.477 2.520 20 0 DFADRP CC[NH+](CC)[C@@H](CNC(=O)CC[C@H]1CC[NH2+]C1)c1ccsc1 ZINC000261884778 203144041 /nfs/dbraw/zinc/14/40/41/203144041.db2.gz UXKVMCYWEQHEIV-HOCLYGCPSA-N 2 0 323.506 2.637 20 0 DFADRP CC[NH2+]Cc1cccc(NC(=O)C2C[C@H]3CCC[C@@H](C2)C3[NH3+])c1 ZINC000262207600 203229927 /nfs/dbraw/zinc/22/99/27/203229927.db2.gz NSVRKYKTTLINDO-SFYZZRBRSA-N 2 0 315.461 2.888 20 0 DFADRP CCN1C[C@H](C)[C@H]([NH2+]CCCc2cc(OC)ccc2OC)C1 ZINC000340108640 284152185 /nfs/dbraw/zinc/15/21/85/284152185.db2.gz JSOQDLROKAJDSR-WMLDXEAASA-N 2 0 306.450 2.566 20 0 DFADRP COC(=O)c1ccc(C[N@@H+]2CCC[C@H](c3ncc[nH]3)C2)c(F)c1 ZINC000340172817 284154884 /nfs/dbraw/zinc/15/48/84/284154884.db2.gz BSAUARDNWFCOON-AWEZNQCLSA-N 2 0 317.364 2.715 20 0 DFADRP CCC[C@H]([NH3+])C(=O)N(CC[NH+](CC)CC)Cc1cccs1 ZINC000262623418 203355484 /nfs/dbraw/zinc/35/54/84/203355484.db2.gz ACSOXMDMPPCYFV-HNNXBMFYSA-N 2 0 311.495 2.546 20 0 DFADRP Cc1ccc([C@H]([NH3+])C(=O)NCCCC[N@H+]2CCC[C@H](C)C2)cc1 ZINC000262631273 203359117 /nfs/dbraw/zinc/35/91/17/203359117.db2.gz HEMJCHOYSNNTFG-WMZOPIPTSA-N 2 0 317.477 2.623 20 0 DFADRP Cc1cc(C[NH+](C)C)cc(NC(=O)C[NH+]2CCC(C)CC2)c1 ZINC000340333504 284177595 /nfs/dbraw/zinc/17/75/95/284177595.db2.gz BCAXHUYLTWIALB-UHFFFAOYSA-N 2 0 303.450 2.727 20 0 DFADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+][C@@H](C)c2ccc(Cl)cn2)CC1 ZINC000274914489 212030424 /nfs/dbraw/zinc/03/04/24/212030424.db2.gz NYTRVFCUDYDCRU-GJZGRUSLSA-N 2 0 324.900 2.659 20 0 DFADRP C[NH2+][C@@H]1CCN(c2cc(C)[nH+]c3ccc(OC(F)F)cc32)C1 ZINC000420175772 296160672 /nfs/dbraw/zinc/16/06/72/296160672.db2.gz YRYNPANZODHIMZ-LLVKDONJSA-N 2 0 307.344 2.943 20 0 DFADRP [NH3+]CCCOC1CCN(c2cc[nH+]c3cc(F)ccc32)CC1 ZINC000420204460 296162252 /nfs/dbraw/zinc/16/22/52/296162252.db2.gz MDYXSGYFWHHNFZ-UHFFFAOYSA-N 2 0 303.381 2.708 20 0 DFADRP CCOc1cc2[nH+]ccc(NC[C@H]([NH3+])C3CC3)c2cc1OCC ZINC000420217546 296163094 /nfs/dbraw/zinc/16/30/94/296163094.db2.gz JOFGPIIIGGELIP-AWEZNQCLSA-N 2 0 315.417 2.603 20 0 DFADRP Cc1cc(N2CCO[C@@H](C[NH3+])C2)c2cc(Cl)cc(C)c2[nH+]1 ZINC000420230830 296164137 /nfs/dbraw/zinc/16/41/37/296164137.db2.gz AVEIBERUBITYDC-ZDUSSCGKSA-N 2 0 305.809 2.669 20 0 DFADRP CCCc1ccc2[nH+]ccc(N3CC[C@H](N4CC[NH2+]CC4)C3)c2c1 ZINC000420248360 296165627 /nfs/dbraw/zinc/16/56/27/296165627.db2.gz IBXQBGQEVZZRLW-KRWDZBQOSA-N 2 0 324.472 2.671 20 0 DFADRP CCCc1ccc(C[NH2+]CCCC[N@@H+]2CCC[C@@H]2CO)cc1 ZINC000600801889 399151565 /nfs/dbraw/zinc/15/15/65/399151565.db2.gz VOHQULGHPNHYNG-LJQANCHMSA-N 2 0 304.478 2.966 20 0 DFADRP CCOc1cc2[nH+]ccc(N[C@@H](C)[C@@H](C)[NH3+])c2cc1OCC ZINC000420274135 296168228 /nfs/dbraw/zinc/16/82/28/296168228.db2.gz YERSRILXEJKMTM-NEPJUHHUSA-N 2 0 303.406 2.602 20 0 DFADRP [NH3+]C[C@@H]1CN(c2cc[nH+]c3cc(F)ccc32)CC12CCOCC2 ZINC000420280941 296168864 /nfs/dbraw/zinc/16/88/64/296168864.db2.gz VICBKYJHNFOQEA-CYBMUJFWSA-N 2 0 315.392 2.566 20 0 DFADRP Cc1cc(C)cc(NC(=O)[C@@H](C)N(C)CC[C@@H]([NH3+])C(C)C)c1 ZINC000420284760 296169303 /nfs/dbraw/zinc/16/93/03/296169303.db2.gz DKQGEVBXHYHOTB-NVXWUHKLSA-N 2 0 305.466 2.936 20 0 DFADRP Cc1cc(C)cc(NC(=O)[C@H](C)N(C)CC[C@H]([NH3+])C(C)C)c1 ZINC000420284761 296169310 /nfs/dbraw/zinc/16/93/10/296169310.db2.gz DKQGEVBXHYHOTB-RDJZCZTQSA-N 2 0 305.466 2.936 20 0 DFADRP CC[NH2+]CC1CC[NH+]([C@H](C)C(=O)Nc2cccc(C)c2C)CC1 ZINC000420293784 296170633 /nfs/dbraw/zinc/17/06/33/296170633.db2.gz RUZBCMMFQZDNTI-MRXNPFEDSA-N 2 0 317.477 2.952 20 0 DFADRP COc1ccc(OC)c([C@H]2CCC[N@@H+]2CC[C@@H]2CC[NH2+]C2)c1 ZINC000420296438 296170904 /nfs/dbraw/zinc/17/09/04/296170904.db2.gz BZLWCKKQZVPURA-WMLDXEAASA-N 2 0 304.434 2.840 20 0 DFADRP Clc1ccc(CN2CCC[N@H+](CC[C@H]3CC[NH2+]C3)CC2)cc1 ZINC000420296055 296171051 /nfs/dbraw/zinc/17/10/51/296171051.db2.gz CYCMYLHNUZKLMH-MRXNPFEDSA-N 2 0 321.896 2.847 20 0 DFADRP C(C[NH+]1CCC(C[NH+]2CCCCCC2)CC1)OC[C@H]1CCCO1 ZINC000607356833 399160824 /nfs/dbraw/zinc/16/08/24/399160824.db2.gz AFPQBFZYTWMKSI-LJQANCHMSA-N 2 0 324.509 2.770 20 0 DFADRP CCc1ccccc1NC(=O)C[N@H+](C)CC[C@@H]1CCC[NH2+]C1 ZINC000420301732 296171589 /nfs/dbraw/zinc/17/15/89/296171589.db2.gz IYWCQAFGKGCDCD-HNNXBMFYSA-N 2 0 303.450 2.509 20 0 DFADRP c1cc([C@H]2CCC[N@H+]2CC[C@H]2CCC[NH2+]C2)cc2c1OCO2 ZINC000420304865 296172062 /nfs/dbraw/zinc/17/20/62/296172062.db2.gz OUNVOGUGWVDGCM-GDBMZVCRSA-N 2 0 302.418 2.942 20 0 DFADRP Cc1cc(C)cc(NC(=O)[C@H](C)[N@@H+]2CCC3(C2)CC[NH2+]CC3)c1 ZINC000420304313 296172074 /nfs/dbraw/zinc/17/20/74/296172074.db2.gz IOSJNSKZYYLGNG-INIZCTEOSA-N 2 0 315.461 2.706 20 0 DFADRP C[N@H+](CCC(=O)Nc1ccc(Cl)cc1)[C@@H]1CCC[NH2+]CC1 ZINC000420308528 296172823 /nfs/dbraw/zinc/17/28/23/296172823.db2.gz KIPKRMSGJQWNBE-OAHLLOKOSA-N 2 0 309.841 2.743 20 0 DFADRP C[NH2+]CCC1CCN([C@@H](C)c2nnnn2C2CCCCC2)CC1 ZINC000420309905 296172864 /nfs/dbraw/zinc/17/28/64/296172864.db2.gz PCFCBVPOVMRRJW-AWEZNQCLSA-N 2 0 320.485 2.561 20 0 DFADRP COC(=O)[C@@H](c1cccc(Cl)c1)N1CCC[C@H](CC[NH3+])C1 ZINC000420309540 296173088 /nfs/dbraw/zinc/17/30/88/296173088.db2.gz LOAVNWSYXHGLKR-IUODEOHRSA-N 2 0 310.825 2.615 20 0 DFADRP Clc1ccc(C2([NH2+]CC[C@@H]3CC[NH2+]C3)CCOCC2)cc1 ZINC000420311841 296173178 /nfs/dbraw/zinc/17/31/78/296173178.db2.gz WDPLPIIXDBQVGD-AWEZNQCLSA-N 2 0 308.853 2.935 20 0 DFADRP [NH3+]CC[C@@H]1CCC[N@H+](Cc2nc(-c3ccc(F)c(F)c3)no2)C1 ZINC000420312172 296173257 /nfs/dbraw/zinc/17/32/57/296173257.db2.gz OKDDTBXNPBJREU-NSHDSACASA-N 2 0 322.359 2.576 20 0 DFADRP C[C@@H]1C[C@@H]2CCCC[C@H]2[N@@H+]1C[C@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC000420312351 296173432 /nfs/dbraw/zinc/17/34/32/296173432.db2.gz WTXZGOBBXWMMEE-WRNCNIFXSA-N 2 0 302.462 2.570 20 0 DFADRP CCOC(=O)CC[N@@H+]1CCCC[C@@H]1[C@H](C[NH3+])Cc1ccccc1 ZINC000420314820 296173616 /nfs/dbraw/zinc/17/36/16/296173616.db2.gz QVTVSEBKBOHBMK-ZWKOTPCHSA-N 2 0 318.461 2.612 20 0 DFADRP CO[C@H](C)c1nc(C[N@@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)cs1 ZINC000420321553 296174730 /nfs/dbraw/zinc/17/47/30/296174730.db2.gz CTKCKCWRINFASE-MGPQQGTHSA-N 2 0 309.479 2.672 20 0 DFADRP c1ccc(COCCC[N@@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)cc1 ZINC000420321611 296174949 /nfs/dbraw/zinc/17/49/49/296174949.db2.gz DATHCDJWEDKJBK-MOPGFXCFSA-N 2 0 302.462 2.915 20 0 DFADRP C[N@H+](C[C@H](O)[C@@H]([NH3+])Cc1ccccc1)[C@@H]1CCc2ccccc21 ZINC000420322121 296175000 /nfs/dbraw/zinc/17/50/00/296175000.db2.gz RZXZVPJUMKMTJS-ZCNNSNEGSA-N 2 0 310.441 2.537 20 0 DFADRP C[C@H](c1nc(C(C)(C)C)no1)[N@@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420323243 296175111 /nfs/dbraw/zinc/17/51/11/296175111.db2.gz FWZJEXQDYJSGED-MGPQQGTHSA-N 2 0 306.454 2.750 20 0 DFADRP COc1ccc([C@H](C[NH3+])C[N@H+](C)CCOc2ccccc2)cc1 ZINC000420323984 296175440 /nfs/dbraw/zinc/17/54/40/296175440.db2.gz UUPAZUMYFYZYQP-QGZVFWFLSA-N 2 0 314.429 2.748 20 0 DFADRP COC(=O)[C@H](c1ccccc1C)[N@@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000420326722 296175582 /nfs/dbraw/zinc/17/55/82/296175582.db2.gz KOGLQVVGABCJAP-JZXOWHBKSA-N 2 0 316.445 2.531 20 0 DFADRP CC(C)C1CCC([NH+]2CCN(CC[C@@H]3CC[NH2+]C3)CC2)CC1 ZINC000420321640 296174866 /nfs/dbraw/zinc/17/48/66/296174866.db2.gz RIFSVIATPRULOI-VIQWUECVSA-N 2 0 307.526 2.818 20 0 DFADRP C[C@@H](c1ccc(F)c(F)c1)[NH+]1CCC([C@@H]2OCC[C@H]2[NH3+])CC1 ZINC000420336883 296177137 /nfs/dbraw/zinc/17/71/37/296177137.db2.gz QJBRCXRYSDPUKO-JECHBYEQSA-N 2 0 310.388 2.854 20 0 DFADRP Cc1cccc(NC(=O)[C@@H](C)[NH+]2CCC([C@@H]3CCC[NH2+]3)CC2)c1 ZINC000420340636 296177359 /nfs/dbraw/zinc/17/73/59/296177359.db2.gz MYDHFDXUDUHUQT-QAPCUYQASA-N 2 0 315.461 2.786 20 0 DFADRP C[C@@H](C(=O)N(C)C1CCCCC1)[NH+]1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000420335086 296176850 /nfs/dbraw/zinc/17/68/50/296176850.db2.gz JWMRVHWRVWRSPD-YJBOKZPZSA-N 2 0 321.509 2.630 20 0 DFADRP COc1cccc([C@H](C)[NH+]2CCC([C@@H]3OCC[C@H]3[NH3+])CC2)c1 ZINC000420342351 296177833 /nfs/dbraw/zinc/17/78/33/296177833.db2.gz VWAYOYQWHXJTLC-VHSSKADRSA-N 2 0 304.434 2.584 20 0 DFADRP C[C@@H](NCC(C)(C)[NH+](C)C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000274888847 212012318 /nfs/dbraw/zinc/01/23/18/212012318.db2.gz JAMFBFSMAYBCDZ-SJLPKXTDSA-N 2 0 303.494 2.827 20 0 DFADRP Cc1cccc(C)c1NC(=O)C[N@@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420345390 296178007 /nfs/dbraw/zinc/17/80/07/296178007.db2.gz WCFIHRKKEYPJPS-IAGOWNOFSA-N 2 0 315.461 2.563 20 0 DFADRP C[C@H]1CCCC[N@@H+]1CCCCNC(=O)[C@](C)([NH3+])c1ccccc1 ZINC000278238322 214041146 /nfs/dbraw/zinc/04/11/46/214041146.db2.gz LDESJLLAIWPVDI-QFBILLFUSA-N 2 0 317.477 2.631 20 0 DFADRP CC(=O)c1ccccc1OCC[N@@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000420339455 296177567 /nfs/dbraw/zinc/17/75/67/296177567.db2.gz LSKSMVVRMDVRBK-IRXDYDNUSA-N 2 0 316.445 2.590 20 0 DFADRP COCCOc1cccc(C[NH2+]C[C@@H]2CC[N@@H+](C(C)C)C2)c1 ZINC000062426891 399169454 /nfs/dbraw/zinc/16/94/54/399169454.db2.gz OMWMYRYELYCDOR-KRWDZBQOSA-N 2 0 306.450 2.532 20 0 DFADRP c1cn(CCCC2CC[NH+](CC[C@@H]3CCC[NH2+]C3)CC2)cn1 ZINC000420358483 296179556 /nfs/dbraw/zinc/17/95/56/296179556.db2.gz JBYQMXCGFAXVEI-SFHVURJKSA-N 2 0 304.482 2.765 20 0 DFADRP CSc1ccccc1NC(=O)CC[NH2+][C@@H]1CC[NH2+]CC1(C)C ZINC000420364599 296180443 /nfs/dbraw/zinc/18/04/43/296180443.db2.gz PIBMGYXPFAGUHX-OAHLLOKOSA-N 2 0 321.490 2.715 20 0 DFADRP CC[NH+](CC)Cc1ccc(C(=O)N(C)[C@@H]2CC[N@H+](C)C[C@@H]2C)o1 ZINC000607516254 399172160 /nfs/dbraw/zinc/17/21/60/399172160.db2.gz FXOURLIUTUXNRL-GOEBONIOSA-N 2 0 321.465 2.534 20 0 DFADRP C[C@@H](c1cccc(F)c1)N1CC[NH+](CC[C@@H]2CCC[NH2+]C2)CC1 ZINC000420369041 296181418 /nfs/dbraw/zinc/18/14/18/296181418.db2.gz XJQYNAFYKFXMTB-IRXDYDNUSA-N 2 0 319.468 2.894 20 0 DFADRP CC[N@H+](CCc1nccs1)C[C@H](C[NH3+])c1ccc(OC)cc1 ZINC000420365931 296180780 /nfs/dbraw/zinc/18/07/80/296180780.db2.gz TVIBSRLNUYSHJG-HNNXBMFYSA-N 2 0 319.474 2.759 20 0 DFADRP CC[N@H+](CCc1nccs1)C[C@@H](C[NH3+])c1ccc(OC)cc1 ZINC000420365935 296180789 /nfs/dbraw/zinc/18/07/89/296180789.db2.gz TVIBSRLNUYSHJG-OAHLLOKOSA-N 2 0 319.474 2.759 20 0 DFADRP COc1cccc([C@H](C)[NH+]2CCC([C@H]3OCCC[C@H]3[NH3+])CC2)c1 ZINC000420374992 296182175 /nfs/dbraw/zinc/18/21/75/296182175.db2.gz IFMCCRJPGYYYFE-GDIGMMSISA-N 2 0 318.461 2.975 20 0 DFADRP C[C@@H]1CCC[C@H](CC[N@@H+]2CCC[C@@H](n3cc(C[NH3+])nn3)C2)C1 ZINC000420376663 296182886 /nfs/dbraw/zinc/18/28/86/296182886.db2.gz KAWVPNANADTREG-BFYDXBDKSA-N 2 0 305.470 2.590 20 0 DFADRP Fc1ccccc1CO[C@H]1CCC[N@H+](CC[C@@H]2CC[NH2+]C2)C1 ZINC000420379319 296183074 /nfs/dbraw/zinc/18/30/74/296183074.db2.gz VDDDTUQZWWBIFB-RDJZCZTQSA-N 2 0 306.425 2.806 20 0 DFADRP Cc1ccc(C[NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)c(-c2cnn(C)c2)c1 ZINC000282645011 217148253 /nfs/dbraw/zinc/14/82/53/217148253.db2.gz LKNSEJWIGUNCEF-MRXNPFEDSA-N 2 0 324.472 2.969 20 0 DFADRP [NH3+][C@@H]1CCCO[C@H]1C1CC[NH+](CCCc2cccc(F)c2)CC1 ZINC000420384710 296184023 /nfs/dbraw/zinc/18/40/23/296184023.db2.gz RWJFJEINXJXFPI-MOPGFXCFSA-N 2 0 320.452 2.977 20 0 DFADRP Cc1ccccc1CCC[N@@H+]1CC2(CC[NH2+]CC2)[C@@H]2COC[C@@H]21 ZINC000420382640 296184028 /nfs/dbraw/zinc/18/40/28/296184028.db2.gz AVDSEOOYPFVTFG-MOPGFXCFSA-N 2 0 314.473 2.628 20 0 DFADRP [NH3+][C@H]1CCO[C@H](C2CC[NH+](CCCCC(F)(F)F)CC2)C1 ZINC000420384791 296184179 /nfs/dbraw/zinc/18/41/79/296184179.db2.gz GULUYSGUCJOJEH-KBPBESRZSA-N 2 0 308.388 2.937 20 0 DFADRP [NH3+][C@H]1CCO[C@H](C2CC[NH+](CCCc3ccccc3)CC2)C1 ZINC000420387579 296184245 /nfs/dbraw/zinc/18/42/45/296184245.db2.gz KLRLEFYFQBILER-OALUTQOASA-N 2 0 302.462 2.838 20 0 DFADRP FC1(F)CCC[C@@H](C[N@@H+]2CC3(CC[NH2+]CC3)[C@@H]3COC[C@@H]32)C1 ZINC000420387262 296184278 /nfs/dbraw/zinc/18/42/78/296184278.db2.gz JXLVUZYYIIHFSO-KFWWJZLASA-N 2 0 314.420 2.512 20 0 DFADRP [NH3+][C@@H]1CCC[C@H]2C[N@H+](CC(=O)NCCCC3CCCCC3)C[C@@H]21 ZINC000342088562 284323734 /nfs/dbraw/zinc/32/37/34/284323734.db2.gz RFISHTQDZNOXTJ-OKZBNKHCSA-N 2 0 321.509 2.522 20 0 DFADRP C[C@H](c1ccc(Cl)cc1)[N@@H+]1CCC[C@@H](n2cc(C[NH3+])nn2)C1 ZINC000420388643 296184888 /nfs/dbraw/zinc/18/48/88/296184888.db2.gz XEVLPSPLCLUOKA-MLGOLLRUSA-N 2 0 319.840 2.788 20 0 DFADRP Cc1ccc(CC[NH+]2CCC([C@@H]3C[C@@H]([NH3+])CCO3)CC2)cc1 ZINC000420395738 296185638 /nfs/dbraw/zinc/18/56/38/296185638.db2.gz UPTYVTNLEMNGKS-OALUTQOASA-N 2 0 302.462 2.756 20 0 DFADRP CSc1ccccc1NC(=O)CC[N@@H+]1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000420395606 296185677 /nfs/dbraw/zinc/18/56/77/296185677.db2.gz DODIFRURUGGBAR-KBPBESRZSA-N 2 0 321.490 2.654 20 0 DFADRP [NH3+][C@H]1CCO[C@H](C2CC[NH+](CCSc3ccccc3)CC2)C1 ZINC000420396853 296185806 /nfs/dbraw/zinc/18/58/06/296185806.db2.gz WMYSSPUEHBQLBR-WMZOPIPTSA-N 2 0 320.502 2.997 20 0 DFADRP Cc1cccc([C@@H](C)[NH2+]C[C@H](O)[C@@H]([NH3+])Cc2ccccc2)c1C ZINC000420395213 296185600 /nfs/dbraw/zinc/18/56/00/296185600.db2.gz DDPMTQVQWSSFKA-UXPWSPDFSA-N 2 0 312.457 2.885 20 0 DFADRP C[C@@H]1CCN(Cc2nn(-c3ccccc3)c3c2CCC3)C[C@@H]1C[NH3+] ZINC000420415220 296187999 /nfs/dbraw/zinc/18/79/99/296187999.db2.gz UWXAYQIMCYYCCL-CVEARBPZSA-N 2 0 324.472 2.778 20 0 DFADRP COC(=O)c1cc2cc(C[N@@H+]3CC[C@H](C)[C@H](C[NH3+])C3)ccc2o1 ZINC000420422753 296188109 /nfs/dbraw/zinc/18/81/09/296188109.db2.gz ZNMVRQCPMJDQPX-SWLSCSKDSA-N 2 0 316.401 2.636 20 0 DFADRP C[C@@H]1[C@@H]([NH2+]Cc2ccc(C(N)=O)cc2)CCN1Cc1ccccc1 ZINC000288387617 220124688 /nfs/dbraw/zinc/12/46/88/220124688.db2.gz GPWRPKLMNJCWJC-BEFAXECRSA-N 2 0 323.440 2.538 20 0 DFADRP C[N@@H+]1CCCC[C@@H]1C(=O)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000600996891 399198956 /nfs/dbraw/zinc/19/89/56/399198956.db2.gz LZQPHEFACQVGIN-ZWKOTPCHSA-N 2 0 321.509 2.585 20 0 DFADRP CC[N@H+](CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C)[C@H](C)C(C)C ZINC000249357248 284398403 /nfs/dbraw/zinc/39/84/03/284398403.db2.gz RJYKGRBRXNDAJI-AEFFLSMTSA-N 2 0 319.493 2.772 20 0 DFADRP C[N@@H+]1CCCN(CCC[NH2+]Cc2cc3cc(F)ccc3o2)CC1 ZINC000608056008 399228458 /nfs/dbraw/zinc/22/84/58/399228458.db2.gz PAHSHDOSFPWEEN-UHFFFAOYSA-N 2 0 319.424 2.689 20 0 DFADRP O[C@H]1C[C@@H](C[N@@H+]2CC[C@@]3(C2)CCC[NH+](Cc2ccccc2)C3)C1 ZINC000420915786 296211570 /nfs/dbraw/zinc/21/15/70/296211570.db2.gz MWADZHHAMQOWSA-ZCNNSNEGSA-N 2 0 314.473 2.745 20 0 DFADRP O[C@H]1C[C@@H](C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3Cc3ccccc3)C2)C1 ZINC000420945215 296216222 /nfs/dbraw/zinc/21/62/22/296216222.db2.gz YQKNZYMJJLGZTK-YSTOQKLRSA-N 2 0 314.473 2.744 20 0 DFADRP CC[C@H]1C[N@H+](Cc2cccc(CN3CCOCC3)c2)CCCO1 ZINC000420966726 296219084 /nfs/dbraw/zinc/21/90/84/296219084.db2.gz RKEFKCZYJLIIDZ-IBGZPJMESA-N 2 0 318.461 2.520 20 0 DFADRP CC[NH+]1CCC(N2CCC[N@@H+]([C@H](C)c3ccccn3)CC2)CC1 ZINC000420977389 296220125 /nfs/dbraw/zinc/22/01/25/296220125.db2.gz HYBHSGYAGJVZIV-QGZVFWFLSA-N 2 0 316.493 2.635 20 0 DFADRP CC[C@@H](C(=O)N1CC[NH+](C(C)(C)CC(C)(C)C)CC1)[NH+](C)C ZINC000622663456 399266001 /nfs/dbraw/zinc/26/60/01/399266001.db2.gz JXCIELKZCSJKAU-HNNXBMFYSA-N 2 0 311.514 2.686 20 0 DFADRP C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC000618987820 399271866 /nfs/dbraw/zinc/27/18/66/399271866.db2.gz UZFPOYNPSAPZFH-FUHWJXTLSA-N 2 0 321.509 2.630 20 0 DFADRP C[C@H](C[NH2+]Cc1cccc(C2CC2)c1)CN1CC[NH+](C)CC1 ZINC000421326357 296244980 /nfs/dbraw/zinc/24/49/80/296244980.db2.gz NRXCWSMPBRMREQ-MRXNPFEDSA-N 2 0 301.478 2.537 20 0 DFADRP C[C@@H](CCN1CC[NH+](C)CC1)[NH2+]Cc1cccc(C2CC2)c1 ZINC000421349970 296246482 /nfs/dbraw/zinc/24/64/82/296246482.db2.gz YDFFCHGUOGSBDS-INIZCTEOSA-N 2 0 301.478 2.680 20 0 DFADRP C[NH+](C)C1CCC([NH2+]Cc2cnn(-c3ccc(F)cc3)c2)CC1 ZINC000421369229 296249401 /nfs/dbraw/zinc/24/94/01/296249401.db2.gz HRRCUXLJWJDJMA-UHFFFAOYSA-N 2 0 316.424 2.974 20 0 DFADRP CC[NH+]1CCC(N2CCC[N@H+](Cc3ccsc3)CC2)CC1 ZINC000421379261 296250532 /nfs/dbraw/zinc/25/05/32/296250532.db2.gz UETFXOZDZOTWHP-UHFFFAOYSA-N 2 0 307.507 2.740 20 0 DFADRP C[NH2+]C[C@@H]1CCC[N@H+](CCC(=O)Nc2cccc(Cl)c2)C1 ZINC000040600300 183108155 /nfs/dbraw/zinc/10/81/55/183108155.db2.gz FSTAYDOYWUNVPG-ZDUSSCGKSA-N 2 0 309.841 2.600 20 0 DFADRP CCCC[C@@H](C(=O)OC)[N@@H+]1CC[C@@H](CNc2cc(C)cc[nH+]2)C1 ZINC000609317324 399313555 /nfs/dbraw/zinc/31/35/55/399313555.db2.gz UPXNHOKGPUYGHD-HOTGVXAUSA-N 2 0 319.449 2.856 20 0 DFADRP C[NH+](C)Cc1cccc(NC(=O)N[C@H](C[NH3+])C2CCCCC2)c1 ZINC000623057868 399320782 /nfs/dbraw/zinc/32/07/82/399320782.db2.gz JJRUTEHDSYOVII-QGZVFWFLSA-N 2 0 318.465 2.777 20 0 DFADRP C[NH2+]CCC1CCN(C(=O)Nc2cccc(C[NH+](C)C)c2)CC1 ZINC000623059274 399320897 /nfs/dbraw/zinc/32/08/97/399320897.db2.gz VCIMZSCWWFWWEM-UHFFFAOYSA-N 2 0 318.465 2.602 20 0 DFADRP CN(CCC[NH2+][C@@H]1CCC[C@@H](c2cccnc2)C1)CC[NH+](C)C ZINC000623088050 399324932 /nfs/dbraw/zinc/32/49/32/399324932.db2.gz UEJPFFNVYZPJGG-IEBWSBKVSA-N 2 0 318.509 2.581 20 0 DFADRP c1cncc([C@@H]2OCC[C@H]2[NH2+]C2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000623165416 399331820 /nfs/dbraw/zinc/33/18/20/399331820.db2.gz GSGAREPIJHGHCS-MOPGFXCFSA-N 2 0 324.428 2.565 20 0 DFADRP COC1([C@H](C)[NH2+]C2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)CCCCC1 ZINC000421843065 296277280 /nfs/dbraw/zinc/27/72/80/296277280.db2.gz MDXCUVASGRPVFJ-SZMVWBNQSA-N 2 0 324.509 2.692 20 0 DFADRP C[C@H]([NH2+]CCCC1(O)CCC1)c1ccc(OCC[NH+](C)C)cc1 ZINC000421848281 296277599 /nfs/dbraw/zinc/27/75/99/296277599.db2.gz AGETUVFPPWOQHG-INIZCTEOSA-N 2 0 320.477 2.973 20 0 DFADRP CCC[NH+]1CCC(N[C@H](C[NH+](C)C)c2ccc(OC)cc2)CC1 ZINC000284500806 218054699 /nfs/dbraw/zinc/05/46/99/218054699.db2.gz XPUPWSCSFBCPBV-LJQANCHMSA-N 2 0 319.493 2.762 20 0 DFADRP COC(=O)CC[N@H+](C)CC1(C)CC[NH+](Cc2ccccc2)CC1 ZINC000104726247 194030881 /nfs/dbraw/zinc/03/08/81/194030881.db2.gz WSPDCWLXMXTORU-UHFFFAOYSA-N 2 0 318.461 2.784 20 0 DFADRP CC[NH+](CC)[C@H](C(=O)NC[C@H](C1CC1)[NH+](C)C)c1ccccc1 ZINC000104856603 194047100 /nfs/dbraw/zinc/04/71/00/194047100.db2.gz BLAWEMSUNXLKAY-MSOLQXFVSA-N 2 0 317.477 2.526 20 0 DFADRP C[C@@H]([NH2+]C[C@@H]1CCCN(C)[C@H]1c1ccnn1C)c1ccccn1 ZINC000284810290 218187497 /nfs/dbraw/zinc/18/74/97/218187497.db2.gz KRYMFSMTIOEDNM-RVKKMQEKSA-N 2 0 313.449 2.549 20 0 DFADRP C[C@H]1C[C@@H]1c1ccc(C[NH2+]CC2CC[NH+](CCN(C)C)CC2)o1 ZINC000105451327 194104761 /nfs/dbraw/zinc/10/47/61/194104761.db2.gz JDFLZFJJVCHFCK-YJBOKZPZSA-N 2 0 319.493 2.766 20 0 DFADRP C[NH+](C)[C@H](CC(=O)NC1CCC([NH+](C)C)CC1)c1ccccc1 ZINC000422008850 296290126 /nfs/dbraw/zinc/29/01/26/296290126.db2.gz QAWCJNHZQBFLAE-DAWZGUTISA-N 2 0 317.477 2.668 20 0 DFADRP COC(=O)c1ccc(Cl)c(CN[C@H]2CC[NH2+]CC(C)(C)C2)c1 ZINC000601974787 399371935 /nfs/dbraw/zinc/37/19/35/399371935.db2.gz VEPIBPVLCZITCD-AWEZNQCLSA-N 2 0 324.852 2.994 20 0 DFADRP CC[NH+](CC)[C@H](C(=O)N(C)CC(C)(C)C[NH3+])c1ccccc1 ZINC000262586060 284784810 /nfs/dbraw/zinc/78/48/10/284784810.db2.gz OWLLLPUFTXVSQE-INIZCTEOSA-N 2 0 305.466 2.513 20 0 DFADRP C[N@@H+]1CC[C@@H]([NH2+]CCNC(=O)c2ccccc2Cl)CC1(C)C ZINC000623418270 399385089 /nfs/dbraw/zinc/38/50/89/399385089.db2.gz JJSPYMWAABPOOT-CYBMUJFWSA-N 2 0 323.868 2.532 20 0 DFADRP C[NH+](C)CCc1ccc(NC(=O)[C@H](C2CC2)[NH+]2CCCC2)cc1 ZINC000273564000 210873485 /nfs/dbraw/zinc/87/34/85/210873485.db2.gz DUHXLIFRUWHELM-SFHVURJKSA-N 2 0 315.461 2.604 20 0 DFADRP C[N@@H+]1CCCC[C@@H]1CN1CC[NH+](CCCc2ccccc2)CC1 ZINC000109755260 194282489 /nfs/dbraw/zinc/28/24/89/194282489.db2.gz VUWXVXHILLUOSJ-HXUWFJFHSA-N 2 0 315.505 2.721 20 0 DFADRP C[C@@H](Cn1ccnc1)[NH2+][C@@H](C)c1cccc(OCC[NH+](C)C)c1 ZINC000268850007 207017984 /nfs/dbraw/zinc/01/79/84/207017984.db2.gz WKJTXWCBTSPRKM-HOTGVXAUSA-N 2 0 316.449 2.563 20 0 DFADRP COCCOc1cccc(C[N@@H+]2C[C@H](C[NH3+])[C@H](C)C[C@@H]2C)c1 ZINC000422560476 296312781 /nfs/dbraw/zinc/31/27/81/296312781.db2.gz GWSBQAVZTIRJTN-VYDXJSESSA-N 2 0 306.450 2.517 20 0 DFADRP C[C@H]([NH3+])C1CC[NH+](CCC(=O)Nc2ccccc2Cl)CC1 ZINC000110649319 194346008 /nfs/dbraw/zinc/34/60/08/194346008.db2.gz HDRNCDZEGJSWGI-LBPRGKRZSA-N 2 0 309.841 2.728 20 0 DFADRP Cc1ccc(NC(=O)C[NH+]2CCC([C@@H](C)[NH3+])CC2)cc1Cl ZINC000110649426 194346293 /nfs/dbraw/zinc/34/62/93/194346293.db2.gz VFCRPVSHOZDCFY-GFCCVEGCSA-N 2 0 309.841 2.646 20 0 DFADRP C[N@@H+]1CCN(CC[NH2+]Cc2ccc(Cl)s2)CC1(C)C ZINC000110758107 194357217 /nfs/dbraw/zinc/35/72/17/194357217.db2.gz BMQGKPYAOOUUPW-UHFFFAOYSA-N 2 0 301.887 2.517 20 0 DFADRP CC[C@H](CCO)C[NH2+][C@@H](C)c1cccc(OCC[NH+](C)C)c1 ZINC000268898178 207067226 /nfs/dbraw/zinc/06/72/26/207067226.db2.gz BBYQWMDZCYEUFM-JKSUJKDBSA-N 2 0 308.466 2.686 20 0 DFADRP C[C@@H]1C[C@H](C)[N@H+](CCC(=O)Nc2ccc(Cl)cc2)C[C@H]1C[NH3+] ZINC000422625041 296316420 /nfs/dbraw/zinc/31/64/20/296316420.db2.gz AKGJGJGMTNNTLF-HZSPNIEDSA-N 2 0 323.868 2.974 20 0 DFADRP CCN(CC)C(=O)C[C@H](C)[NH2+]Cc1cccc(C[N@H+](C)CC)c1 ZINC000268899740 207069314 /nfs/dbraw/zinc/06/93/14/207069314.db2.gz MCPUUCSZIMEXTP-INIZCTEOSA-N 2 0 319.493 2.875 20 0 DFADRP CCOc1cc(C[NH2+][C@H](C)C[C@H](C)[NH3+])ccc1OC(F)F ZINC000422695938 296318039 /nfs/dbraw/zinc/31/80/39/296318039.db2.gz QPRCBJVVILHYJC-WDEREUQCSA-N 2 0 302.365 2.902 20 0 DFADRP CCC[N@@H+]1CC[C@@H](NC(=O)[C@@H](c2ccccc2)[NH+](CC)CC)C1 ZINC000619900368 399402995 /nfs/dbraw/zinc/40/29/95/399402995.db2.gz ZSZOQRYSBRKCDI-QZTJIDSGSA-N 2 0 317.477 2.670 20 0 DFADRP CCC[C@](C)(O)C[NH2+][C@@H](C)c1ccc(OCC[NH+](C)C)cc1 ZINC000268921910 207089388 /nfs/dbraw/zinc/08/93/88/207089388.db2.gz WVSYAZHJONBJFY-YJBOKZPZSA-N 2 0 308.466 2.829 20 0 DFADRP C[C@H](CN[C@@H](C)[C@@H]1CCCC[NH2+]1)[N@@H+]1CCc2ccccc2C1 ZINC000422708633 296319317 /nfs/dbraw/zinc/31/93/17/296319317.db2.gz CCMGJKVZFVYIRI-GJYPPUQNSA-N 2 0 301.478 2.553 20 0 DFADRP [NH3+]C[C@H]1CCC[C@H]1[NH2+]CCc1cc(Br)ccc1F ZINC000422706943 296319396 /nfs/dbraw/zinc/31/93/96/296319396.db2.gz VHWIGAOGXURHNZ-BXUZGUMPSA-N 2 0 315.230 2.848 20 0 DFADRP [NH3+]C[C@H]1CCC[C@@H]1[NH2+]CCc1cc(Br)ccc1F ZINC000422706945 296319494 /nfs/dbraw/zinc/31/94/94/296319494.db2.gz VHWIGAOGXURHNZ-RISCZKNCSA-N 2 0 315.230 2.848 20 0 DFADRP COc1ccc([C@@H](C[NH+](C)C)N[C@H]2CC[N@H+](C)C(C)(C)C2)cc1 ZINC000623517884 399407182 /nfs/dbraw/zinc/40/71/82/399407182.db2.gz XBQYWYGUZMLQCB-FUHWJXTLSA-N 2 0 319.493 2.760 20 0 DFADRP C[C@@H](CCCC[NH3+])[NH2+]Cc1cccc(COC2CCOCC2)c1 ZINC000422713905 296320208 /nfs/dbraw/zinc/32/02/08/296320208.db2.gz QCYVGHDCFNGMHA-INIZCTEOSA-N 2 0 320.477 2.989 20 0 DFADRP Cc1ccccc1NC(=O)[C@H](C)[NH+]1CCC(CC[NH+](C)C)CC1 ZINC000056523405 184014929 /nfs/dbraw/zinc/01/49/29/184014929.db2.gz YOMMZIJBNLVMNZ-INIZCTEOSA-N 2 0 317.477 2.986 20 0 DFADRP C[NH+](C)CCCOc1ccc(C[NH2+][C@H]2CCCC[C@@H]2C[NH3+])cc1 ZINC000422714132 296320481 /nfs/dbraw/zinc/32/04/81/296320481.db2.gz KQWACNFDXJCZRU-MJGOQNOKSA-N 3 0 319.493 2.624 20 0 DFADRP COc1ccc(CC[NH2+][C@@H]2CCCCC[C@H]2[NH3+])c(OC)c1OC ZINC000422709360 296319932 /nfs/dbraw/zinc/31/99/32/296319932.db2.gz YZLIYWKJUWDLLS-HUUCEWRRSA-N 2 0 322.449 2.505 20 0 DFADRP C[C@H](C[NH2+][C@H]1CCCC[C@H]1C[NH3+])N1CCc2sccc2C1 ZINC000422709121 296319942 /nfs/dbraw/zinc/31/99/42/296319942.db2.gz CUGLOVJQAQAQHI-YCPHGPKFSA-N 2 0 307.507 2.602 20 0 DFADRP CCC(CC)C(=O)N1CCC([NH2+][C@@H]2CCCCC[C@@H]2[NH3+])CC1 ZINC000422718040 296320971 /nfs/dbraw/zinc/32/09/71/296320971.db2.gz KZXFKQXPDCXWBI-DLBZAZTESA-N 2 0 309.498 2.663 20 0 DFADRP CC[C@H](NC[C@H](c1ccc(F)cc1)[NH+](C)C)[C@@H]1CCCC[NH2+]1 ZINC000422716296 296321075 /nfs/dbraw/zinc/32/10/75/296321075.db2.gz UFFZFURMGWRBSO-OKZBNKHCSA-N 2 0 307.457 2.939 20 0 DFADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]CCC(=O)NC1CCCCC1 ZINC000422715496 296320655 /nfs/dbraw/zinc/32/06/55/296320655.db2.gz MIWFVOHQUGJBLV-WBVHZDCISA-N 2 0 309.498 2.726 20 0 DFADRP COc1ccc(CCC[NH2+][C@H]2CCCCC[C@@H]2[NH3+])cc1OC ZINC000422719010 296320839 /nfs/dbraw/zinc/32/08/39/296320839.db2.gz LSTWNAWIHPDQFQ-HOTGVXAUSA-N 2 0 306.450 2.886 20 0 DFADRP Cc1nc(C[NH3+])ccc1[C@@H](C)NC[C@H](C)C[NH+]1CCCCC1 ZINC000422717094 296320856 /nfs/dbraw/zinc/32/08/56/296320856.db2.gz VJOIERZLHZWAFG-LSDHHAIUSA-N 2 0 304.482 2.621 20 0 DFADRP CCC(CC)C(=O)N1CCC([NH2+][C@@H]2CCCCC[C@H]2[NH3+])CC1 ZINC000422718046 296320904 /nfs/dbraw/zinc/32/09/04/296320904.db2.gz KZXFKQXPDCXWBI-IAGOWNOFSA-N 2 0 309.498 2.663 20 0 DFADRP CC[C@H](NC[C@@H]1CC[N@H+](CCc2ccccc2)C1)[C@@H]1CCC[NH2+]1 ZINC000422722925 296321860 /nfs/dbraw/zinc/32/18/60/296321860.db2.gz ZCVNHHPOACEFNN-UFYCRDLUSA-N 2 0 315.505 2.671 20 0 DFADRP CSc1ccc([C@H](C)[NH2+]CC2(O)CC[NH+](C)CC2)cc1F ZINC000268964933 207129382 /nfs/dbraw/zinc/12/93/82/207129382.db2.gz GSWSJYVBNJOSCQ-LBPRGKRZSA-N 2 0 312.454 2.655 20 0 DFADRP Cc1ccc(C[C@@H](CO)[NH2+][C@@H]2CC[N@@H+](C)C(C)(C)C2)cc1C ZINC000623545043 399413083 /nfs/dbraw/zinc/41/30/83/399413083.db2.gz YMHCTCPEYZTJDK-MSOLQXFVSA-N 2 0 304.478 2.669 20 0 DFADRP C[C@H]([NH3+])C[C@H](C)[NH2+]Cc1ccc(NC(=O)c2ccco2)cc1 ZINC000422721411 296321428 /nfs/dbraw/zinc/32/14/28/296321428.db2.gz VILGKSSGNZKBED-STQMWFEESA-N 2 0 301.390 2.747 20 0 DFADRP COCCN(C)CC[C@H]([NH2+]C1CCC([NH3+])CC1)c1ccccc1 ZINC000422720078 296321468 /nfs/dbraw/zinc/32/14/68/296321468.db2.gz SBKJOMFADNBDAV-ACBHZAAOSA-N 2 0 319.493 2.556 20 0 DFADRP CC[C@@H]([NH2+]CCc1ccc(OC)c(OC)c1)[C@H]1CCCC[NH2+]1 ZINC000422728045 296322385 /nfs/dbraw/zinc/32/23/85/296322385.db2.gz ISLASODABFTPFF-HZPDHXFCSA-N 2 0 306.450 2.757 20 0 DFADRP C[C@H](CCC[NH3+])[NH2+]C1CCN(Cc2ccc(F)c(F)c2)CC1 ZINC000422725246 296322229 /nfs/dbraw/zinc/32/22/29/296322229.db2.gz XSRBVXZODOHTMT-CYBMUJFWSA-N 2 0 311.420 2.646 20 0 DFADRP CC[NH2+]Cc1cccc(NC(=O)C2CC[NH+](C3CC3)CC2)c1 ZINC000422729148 296322851 /nfs/dbraw/zinc/32/28/51/296322851.db2.gz BJSIJKWIRQWRJL-UHFFFAOYSA-N 2 0 301.434 2.609 20 0 DFADRP CN(C)C(=O)C1(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)CCCC1 ZINC000422728003 296322551 /nfs/dbraw/zinc/32/25/51/296322551.db2.gz INXFHZSIWIUFQS-YESZJQIVSA-N 2 0 321.509 2.535 20 0 DFADRP CCc1ccc([C@H](C[NH2+][C@H]2CC[NH2+]CC[C@H]2C)N(C)C)cc1 ZINC000422732795 296323329 /nfs/dbraw/zinc/32/33/29/296323329.db2.gz PIOJTJBBZBTAIF-MNEFBYGVSA-N 2 0 303.494 2.829 20 0 DFADRP CCOC(=O)C1([C@@H](C)[NH2+]Cc2cccc(Cl)c2)CC[NH2+]CC1 ZINC000422734574 296323354 /nfs/dbraw/zinc/32/33/54/296323354.db2.gz SSBSWTAHUOWDCP-CYBMUJFWSA-N 2 0 324.852 2.751 20 0 DFADRP COc1cccc([C@H](C[NH2+][C@@H]2CCCCC[C@@H]2[NH3+])N(C)C)c1 ZINC000422733761 296323384 /nfs/dbraw/zinc/32/33/84/296323384.db2.gz ROQHDBSFUISVQL-KSZLIROESA-N 2 0 305.466 2.548 20 0 DFADRP CC(C)(C)C1CCC([NH2+]CCCN2CCC[C@H]2C(N)=O)CC1 ZINC000623617842 399428841 /nfs/dbraw/zinc/42/88/41/399428841.db2.gz RPENUOKBDVGZDC-GPANFISMSA-N 2 0 309.498 2.521 20 0 DFADRP C[C@@H](CC[NH+](C)C)[NH2+][C@@H](C)c1ccc(NC(=O)NC2CC2)cc1 ZINC000269012531 207165608 /nfs/dbraw/zinc/16/56/08/207165608.db2.gz NUPZSRDYVCZUDR-KBPBESRZSA-N 2 0 318.465 2.961 20 0 DFADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@H](C[C@H](C)O)c2ccccc2)[C@H](C)C1 ZINC000269021728 207172804 /nfs/dbraw/zinc/17/28/04/207172804.db2.gz QDBOIBFUTJFNKQ-NEPXVJNWSA-N 2 0 304.478 2.861 20 0 DFADRP COC[C@@H](C)Oc1ccc(C[NH2+]C[C@@H]2CCCC[N@H+](C)C2)cc1 ZINC000623656807 399436499 /nfs/dbraw/zinc/43/64/99/399436499.db2.gz CGCQNHDIFSNSQV-AEFFLSMTSA-N 2 0 320.477 2.922 20 0 DFADRP C[C@H](CC(=O)Nc1ccccc1)[NH2+]C[C@@H]1CCCC[N@H+](C)C1 ZINC000623655641 399437137 /nfs/dbraw/zinc/43/71/37/399437137.db2.gz AZOAMXRMCGLOAM-CVEARBPZSA-N 2 0 303.450 2.725 20 0 DFADRP CCO[C@@H](CC[NH+](C)C)C[NH2+][C@@H](C)c1ccc2c(c1)COC2 ZINC000269042858 207190534 /nfs/dbraw/zinc/19/05/34/207190534.db2.gz GZIOHKLHSKEHEJ-KSSFIOAISA-N 2 0 306.450 2.724 20 0 DFADRP Cn1cc(C[NH2+]C[C@@H]2CCCC[N@H+](C)C2)c(-c2ccccc2)n1 ZINC000623657692 399437948 /nfs/dbraw/zinc/43/79/48/399437948.db2.gz WRIJIQIPLITXFU-INIZCTEOSA-N 2 0 312.461 2.909 20 0 DFADRP COC(=O)c1[nH]c(C[NH+]2CCC(C[N@H+](C)C(C)C)CC2)cc1C ZINC000602449318 399448029 /nfs/dbraw/zinc/44/80/29/399448029.db2.gz QTXVIRKWAWJYOK-UHFFFAOYSA-N 2 0 321.465 2.662 20 0 DFADRP CCO[C@@H](CC[NH+](C)C)C[NH2+][C@@H](C)c1cc(OC)ccc1OC ZINC000269097090 207237844 /nfs/dbraw/zinc/23/78/44/207237844.db2.gz SDQJBESLWCDXDD-HOCLYGCPSA-N 2 0 324.465 2.711 20 0 DFADRP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](N[C@@H](C)c2c[nH+]ccc2N)C1 ZINC000422741143 296324437 /nfs/dbraw/zinc/32/44/37/296324437.db2.gz OFTQZHCPXNWHIN-ZMSDIMECSA-N 2 0 310.445 2.980 20 0 DFADRP C[C@H](c1ccccc1)[N@@H+]1CC[C@H](N[C@@H](C)[C@H]2CCCC[NH2+]2)C1 ZINC000422740769 296324467 /nfs/dbraw/zinc/32/44/67/296324467.db2.gz NEAVPSSHOBPAGI-OGWHTMIXSA-N 2 0 301.478 2.942 20 0 DFADRP c1ccc2c(c1)O[C@@]1(CC[NH2+]C1)C[C@@H]2[NH2+]CCC1CCOCC1 ZINC000422739101 296324031 /nfs/dbraw/zinc/32/40/31/296324031.db2.gz ZWDDUSGDTJXOKR-HKUYNNGSSA-N 2 0 316.445 2.649 20 0 DFADRP C[C@@H]([NH2+]C(C)(C)CNC1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccccc1 ZINC000422738050 296324072 /nfs/dbraw/zinc/32/40/72/296324072.db2.gz YIQQYDVEAOENGA-NAZJXLNTSA-N 2 0 301.478 2.988 20 0 DFADRP C[C@@H](C[C@@H]1CCCCC[NH2+]1)NCC1([NH+]2CCCC2)CCOCC1 ZINC000422743253 296324929 /nfs/dbraw/zinc/32/49/29/296324929.db2.gz REWKESPEYZNSMH-ROUUACIJSA-N 2 0 323.525 2.532 20 0 DFADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]Cc1cccc(-n2ccnc2)c1 ZINC000422743216 296325038 /nfs/dbraw/zinc/32/50/38/296325038.db2.gz IGDJOOKIYMPWLB-CQSZACIVSA-N 2 0 321.428 2.885 20 0 DFADRP C[C@H](c1ccccc1)N1CC[C@@H]([NH2+]C2CCC(C[NH3+])CC2)C1 ZINC000422745842 296325164 /nfs/dbraw/zinc/32/51/64/296325164.db2.gz VVDSZFWQLPCIQK-JVGQSUMCSA-N 2 0 301.478 2.929 20 0 DFADRP c1cc2c(s1)CCN(CC[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1)C2 ZINC000422744869 296325213 /nfs/dbraw/zinc/32/52/13/296325213.db2.gz WRYKPXXAZVSNRH-ZACQAIPSSA-N 2 0 319.518 2.617 20 0 DFADRP CC1CC[NH+](Cc2cccc(C[NH2+]C3CC[NH2+]CC3)c2)CC1 ZINC000422739838 296324541 /nfs/dbraw/zinc/32/45/41/296324541.db2.gz MAIDJVAPCNMKIP-UHFFFAOYSA-N 3 0 301.478 2.760 20 0 DFADRP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](N[C@@H](C)[C@@H]2CCCC[NH2+]2)C1 ZINC000422740766 296324605 /nfs/dbraw/zinc/32/46/05/296324605.db2.gz NEAVPSSHOBPAGI-ISARSNTHSA-N 2 0 301.478 2.942 20 0 DFADRP c1cn(-c2cccc(C[NH2+][C@@H]3CCC[C@H]3[C@@H]3CCC[NH2+]3)c2)cn1 ZINC000422742394 296324612 /nfs/dbraw/zinc/32/46/12/296324612.db2.gz GFSCSTADGDJRTN-GBESFXJTSA-N 2 0 310.445 2.883 20 0 DFADRP [NH3+][C@H]1CCC[C@H]1[NH2+]CC1(c2cccc(Br)c2)CC1 ZINC000422743753 296324856 /nfs/dbraw/zinc/32/48/56/296324856.db2.gz JGSDDLDABFTFNL-UONOGXRCSA-N 2 0 309.251 2.950 20 0 DFADRP C[C@@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]Cc1cccc(-n2ccnc2)c1 ZINC000422747322 296325575 /nfs/dbraw/zinc/32/55/75/296325575.db2.gz PURSBJQIYBYLNM-OXQOHEQNSA-N 2 0 320.440 2.920 20 0 DFADRP [NH3+]CC1CCC([NH2+]C[C@H]2CCCN2Cc2ccccc2)CC1 ZINC000422747494 296325612 /nfs/dbraw/zinc/32/56/12/296325612.db2.gz YXJIVSRZODPPPL-NKELODKYSA-N 2 0 301.478 2.758 20 0 DFADRP CCC[NH+](CCC)CCCNC(=O)[C@H](C)[C@@H]([NH3+])c1ccccc1 ZINC000269234194 207359337 /nfs/dbraw/zinc/35/93/37/207359337.db2.gz FKWKGESJOJXXEX-SJLPKXTDSA-N 2 0 319.493 2.951 20 0 DFADRP C[C@H](c1ccccc1)[NH+]1CCC(N[C@H]2CCC[C@@H]2C[NH3+])CC1 ZINC000422745765 296325339 /nfs/dbraw/zinc/32/53/39/296325339.db2.gz MUXNZJWGTGYJRS-SUMDDJOVSA-N 2 0 301.478 2.929 20 0 DFADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]C[C@H]1CCCN1Cc1ccccc1 ZINC000422744905 296325343 /nfs/dbraw/zinc/32/53/43/296325343.db2.gz UIUABUGEFUMQGR-QRQLOZEOSA-N 2 0 301.478 2.629 20 0 DFADRP c1ccc(OCC[NH2+][C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)cc1 ZINC000422756094 296327237 /nfs/dbraw/zinc/32/72/37/296327237.db2.gz LGIQTJZULBFODE-UYAOXDASSA-N 2 0 324.424 2.911 20 0 DFADRP C[C@H]([NH2+][C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)c1cccnc1 ZINC000422754040 296326992 /nfs/dbraw/zinc/32/69/92/296326992.db2.gz DJUSVIPXPAZHIT-UCLAIMLFSA-N 2 0 309.413 2.988 20 0 DFADRP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]CCN1c2ccccc2C[C@@H]1C ZINC000422760365 296327928 /nfs/dbraw/zinc/32/79/28/296327928.db2.gz KYTIDIXFAVNLKM-ABSDTBQOSA-N 2 0 323.484 2.986 20 0 DFADRP O=C1CCCCCN1CCC[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1 ZINC000422758692 296328143 /nfs/dbraw/zinc/32/81/43/296328143.db2.gz OFGMXSOYUHYSRT-FGTMMUONSA-N 2 0 321.509 2.680 20 0 DFADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]C[C@H](c1ccccc1)N(C)C ZINC000422758714 296328157 /nfs/dbraw/zinc/32/81/57/296328157.db2.gz OFMBHUBWGKWIEW-AUUYWEPGSA-N 2 0 312.461 2.802 20 0 DFADRP COc1ccc([C@@H](CN[C@H](C)[C@H]2CCC[NH2+]2)[NH+]2CCCC2)cc1 ZINC000422760926 296328558 /nfs/dbraw/zinc/32/85/58/296328558.db2.gz QPVOQDTUGKYOIJ-ATZDWAIDSA-N 2 0 317.477 2.562 20 0 DFADRP Cc1ccc([C@H](C)C[NH2+][C@@H]2CCOC[C@H]2[C@@H]2CCC[NH2+]2)cc1 ZINC000422762259 296328766 /nfs/dbraw/zinc/32/87/66/296328766.db2.gz MKJOJEYAQNAWLJ-XGXHKWSGSA-N 2 0 302.462 2.845 20 0 DFADRP C[C@@H]([NH2+]C1(CN[C@H](C)C2C[NH2+]C2)CCCC1)c1ccccc1 ZINC000422762823 296328819 /nfs/dbraw/zinc/32/88/19/296328819.db2.gz MVHQRJROULZZNW-HZPDHXFCSA-N 2 0 301.478 2.848 20 0 DFADRP C[C@@H]([NH2+]Cc1ccc(OCC[NH+](C)C)cc1)[C@@H]1CCCCO1 ZINC000623866363 399482968 /nfs/dbraw/zinc/48/29/68/399482968.db2.gz SKQORIDIGRNRCS-QAPCUYQASA-N 2 0 306.450 2.674 20 0 DFADRP Cc1cccc(N2CCC([NH2+][C@H]3CCCCC[C@@H]3[NH3+])CC2)n1 ZINC000422765712 296329820 /nfs/dbraw/zinc/32/98/20/296329820.db2.gz RCGGGWAVXRJVHQ-IRXDYDNUSA-N 2 0 302.466 2.608 20 0 DFADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]C[C@@H](c1ccccc1Cl)N(C)C ZINC000422769151 296330012 /nfs/dbraw/zinc/33/00/12/296330012.db2.gz UQSJKTYIOYMQAH-COXVUDFISA-N 2 0 309.885 2.920 20 0 DFADRP COc1ccc(OC)c(CC[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)c1 ZINC000422768886 296330102 /nfs/dbraw/zinc/33/01/02/296330102.db2.gz VBDHPQOKTOWRMK-KURKYZTESA-N 2 0 318.461 2.757 20 0 DFADRP COc1cccc(N2CCC[C@H]([NH2+][C@@H]3CC[NH2+]CC[C@@H]3C)C2)c1 ZINC000422770062 296330281 /nfs/dbraw/zinc/33/02/81/296330281.db2.gz WHVAJLFCZIWDRY-TXPKVOOTSA-N 2 0 317.477 2.642 20 0 DFADRP CC[C@@H]([NH2+]CCn1c(C)nc2ccccc21)[C@@H]1CCCC[NH2+]1 ZINC000422776686 296330998 /nfs/dbraw/zinc/33/09/98/296330998.db2.gz BAEMUDLQFIQLQK-CVEARBPZSA-N 2 0 300.450 2.855 20 0 DFADRP CC[C@H]([NH2+]CCn1c(C)nc2ccccc21)[C@H]1CCCC[NH2+]1 ZINC000422776689 296331046 /nfs/dbraw/zinc/33/10/46/296331046.db2.gz BAEMUDLQFIQLQK-JKSUJKDBSA-N 2 0 300.450 2.855 20 0 DFADRP C[C@H]([NH3+])[C@H](Cc1ccccc1)NCCC[N@@H+]1CCCC[C@H]1C ZINC000422772675 296330580 /nfs/dbraw/zinc/33/05/80/296330580.db2.gz SRWDMIGSGCRTIV-AOIWGVFYSA-N 2 0 303.494 2.799 20 0 DFADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+][C@@H]1CCN(Cc2ccccc2)C1 ZINC000422772420 296330610 /nfs/dbraw/zinc/33/06/10/296330610.db2.gz YIMYQWVJBGLGSC-VQIMIIECSA-N 2 0 324.472 2.774 20 0 DFADRP C[C@@H]1Cc2ccccc2N1CC[NH2+][C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000422773604 296330721 /nfs/dbraw/zinc/33/07/21/296330721.db2.gz YYACKFUIQQOUPE-NXWXRZEISA-N 2 0 313.489 2.948 20 0 DFADRP C[C@H]([NH2+]Cc1ccccc1OCC[NH+](C)C)[C@@H]1CCCCO1 ZINC000623879536 399485893 /nfs/dbraw/zinc/48/58/93/399485893.db2.gz JLKBQFOAEBMZNN-RDJZCZTQSA-N 2 0 306.450 2.674 20 0 DFADRP Clc1ccccc1CC[NH2+][C@@H]1CCOC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000422775677 296331203 /nfs/dbraw/zinc/33/12/03/296331203.db2.gz BCWCBAUWOMVAAT-BHYGNILZSA-N 2 0 308.853 2.629 20 0 DFADRP CN(C)C(=O)c1cccc(CC[NH2+][C@@H]2C[C@@H]([NH3+])c3ccccc32)c1 ZINC000422779486 296331412 /nfs/dbraw/zinc/33/14/12/296331412.db2.gz JASVOHCKLVSCKR-RTBURBONSA-N 2 0 323.440 2.665 20 0 DFADRP COc1ccccc1O[C@H](C)C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000422778205 296331628 /nfs/dbraw/zinc/33/16/28/296331628.db2.gz ALHYJSJXGOJKHG-WCXIOVBPSA-N 2 0 318.461 2.973 20 0 DFADRP Cc1cc(C)c(C[NH2+][C@@H]2CCOC[C@@H]2[C@@H]2CCC[NH2+]2)c(C)c1 ZINC000422777389 296331643 /nfs/dbraw/zinc/33/16/43/296331643.db2.gz FMTMAHRCVLHBTB-CEXWTWQISA-N 2 0 302.462 2.859 20 0 DFADRP CC[C@H](CCc1ccccc1)[NH2+]C[C@@H](C)N1CC[NH+](C)CC1 ZINC000623888733 399487903 /nfs/dbraw/zinc/48/79/03/399487903.db2.gz ROHKPZZUMMLWFI-IEBWSBKVSA-N 2 0 303.494 2.623 20 0 DFADRP [NH3+][C@H]1CCC[C@H]1[NH2+]CC1(c2ccccc2Br)CC1 ZINC000422781423 296332021 /nfs/dbraw/zinc/33/20/21/296332021.db2.gz KMSQFAOSTHNBSV-UONOGXRCSA-N 2 0 309.251 2.950 20 0 DFADRP CCO[C@@H]1C[C@H]([NH2+][C@H](Cc2ccccc2)[C@@H](C)[NH3+])C12CCC2 ZINC000422787270 296332615 /nfs/dbraw/zinc/33/26/15/296332615.db2.gz UKZQGDFIXIEXPT-NRSFXHEJSA-N 2 0 302.462 2.882 20 0 DFADRP CC[C@H](NCC1([NH+](C)C)Cc2ccccc2C1)[C@@H]1CCCC[NH2+]1 ZINC000422786368 296332680 /nfs/dbraw/zinc/33/26/80/296332680.db2.gz QHDPXVYCJGZAOY-OALUTQOASA-N 2 0 315.505 2.596 20 0 DFADRP CC(C)COCCC[NH2+][C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422792301 296333496 /nfs/dbraw/zinc/33/34/96/296333496.db2.gz WCZVUWJOWWNHPW-HKUYNNGSSA-N 2 0 318.461 2.895 20 0 DFADRP C[C@H]([NH3+])[C@H](Cc1ccccc1)NCCC[NH+]1CCC(C)CC1 ZINC000422791576 296333498 /nfs/dbraw/zinc/33/34/98/296333498.db2.gz WFRBSPKTTDKTCS-HKUYNNGSSA-N 2 0 303.494 2.657 20 0 DFADRP Cc1nn(Cc2ccccc2)c(C)c1C[NH2+][C@@H]1CCC[C@@H]1C[NH3+] ZINC000422791656 296333605 /nfs/dbraw/zinc/33/36/05/296333605.db2.gz QLUKWGUTNHZGSX-IEBWSBKVSA-N 2 0 312.461 2.765 20 0 DFADRP COc1ccc(OCC[NH2+][C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)cc1 ZINC000422791514 296333650 /nfs/dbraw/zinc/33/36/50/296333650.db2.gz QGJGMLLCQZHODT-IPMKNSEASA-N 2 0 318.461 2.974 20 0 DFADRP Cc1nn(Cc2ccccc2)c(C)c1C[NH2+][C@H](C)[C@H]1CC[NH2+]C1 ZINC000422793444 296333794 /nfs/dbraw/zinc/33/37/94/296333794.db2.gz SDPKLHYSEPANJR-KDOFPFPSSA-N 2 0 312.461 2.636 20 0 DFADRP CC[NH+](CC)[C@H](CN[C@@H](C)C[C@H](C)[NH3+])c1cccc(OC)c1 ZINC000422793499 296334029 /nfs/dbraw/zinc/33/40/29/296334029.db2.gz FPROJBNYBBIKQR-RLFYNMQTSA-N 2 0 307.482 2.794 20 0 DFADRP CC[NH+](CC)[C@H](CN[C@@H]1C[NH2+]CC[C@@H]1C)c1cccc(OC)c1 ZINC000422795638 296334597 /nfs/dbraw/zinc/33/45/97/296334597.db2.gz IALZLNQZHXYBBP-KFKAGJAMSA-N 2 0 319.493 2.666 20 0 DFADRP [NH3+][C@H]1CCC[C@@H]1NC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000422794210 296334106 /nfs/dbraw/zinc/33/41/06/296334106.db2.gz YLHLCEMWNWWYOH-IRXDYDNUSA-N 2 0 307.869 2.774 20 0 DFADRP CC(C)C(=O)Nc1ccc(C[NH2+][C@@H]2CCCC[C@H]2C[NH3+])cc1 ZINC000422798418 296334993 /nfs/dbraw/zinc/33/49/93/296334993.db2.gz QZXGIAZIIGYQPF-DOTOQJQBSA-N 2 0 303.450 2.888 20 0 DFADRP CC(C)[C@@H]([NH3+])C(=O)NCc1cccc(C[NH+]2CCC(C)CC2)c1 ZINC000269257614 207397528 /nfs/dbraw/zinc/39/75/28/207397528.db2.gz TUXFLJLMHBHLHQ-GOSISDBHSA-N 2 0 317.477 2.518 20 0 DFADRP C(C1CCCC1)[N@@H+]1CC[C@H](N[C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)C1 ZINC000422798941 296335155 /nfs/dbraw/zinc/33/51/55/296335155.db2.gz UIXDGXVCTWYQLP-CADBVGFASA-N 2 0 305.510 2.761 20 0 DFADRP COC[C@H](CCC[NH3+])[NH2+][C@@H]1CCCO[C@@H]1c1ccc(C)cc1 ZINC000422803058 296335912 /nfs/dbraw/zinc/33/59/12/296335912.db2.gz CIEWWGLBFGWAMP-RCCFBDPRSA-N 2 0 306.450 2.559 20 0 DFADRP C[C@H]([NH3+])[C@@H]1COCC[C@H]1[NH2+]CC1(c2ccccc2)CCCC1 ZINC000422803031 296335991 /nfs/dbraw/zinc/33/59/91/296335991.db2.gz CHKGXAIMZKEERF-RYQLBKOJSA-N 2 0 302.462 2.840 20 0 DFADRP CO[C@H](C[NH2+][C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)C(C)C ZINC000422806738 296336607 /nfs/dbraw/zinc/33/66/07/296336607.db2.gz LDPJBVDHLZKCDX-NXHRZFHOSA-N 2 0 304.434 2.503 20 0 DFADRP [NH3+][C@@H]1CCCCC[C@H]1NCCC[N@@H+]1CCc2ccccc2C1 ZINC000422813194 296337858 /nfs/dbraw/zinc/33/78/58/296337858.db2.gz XRUJQFHZDJZWEV-RTBURBONSA-N 2 0 301.478 2.684 20 0 DFADRP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1[NH2+]C[C@H]1CCCC[C@H]1C(F)(F)F ZINC000422818841 296338939 /nfs/dbraw/zinc/33/89/39/296338939.db2.gz LQROWGMJTVSDAJ-VJTDZRGJSA-N 2 0 308.388 2.697 20 0 DFADRP COCCCCC[NH2+][C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422819450 296339109 /nfs/dbraw/zinc/33/91/09/296339109.db2.gz IHHHFGYVFFHYND-SJLPKXTDSA-N 2 0 304.434 2.649 20 0 DFADRP C[C@@H](Nc1cc(N2CCC[C@H](C)C2)ncn1)C1CC[NH+](C)CC1 ZINC000623969046 399507446 /nfs/dbraw/zinc/50/74/46/399507446.db2.gz UWJCYKCPMQPOAP-LSDHHAIUSA-N 2 0 317.481 2.855 20 0 DFADRP CC(C)C[NH+]1CCC(N[C@@H](Cc2ccccc2)[C@@H](C)[NH3+])CC1 ZINC000422821167 296339444 /nfs/dbraw/zinc/33/94/44/296339444.db2.gz USASMBVFGFPMEN-APWZRJJASA-N 2 0 303.494 2.655 20 0 DFADRP c1cn(Cc2cccc(C[NH2+][C@@H]3CCC[C@@H]3[C@H]3CCC[NH2+]3)c2)cn1 ZINC000422824731 296339670 /nfs/dbraw/zinc/33/96/70/296339670.db2.gz HYVSVFVWKMAPHU-VAMGGRTRSA-N 2 0 324.472 2.942 20 0 DFADRP C[C@H]([NH2+]Cc1ccc(COCC(F)(F)F)cc1)[C@H]1CC[NH2+]C1 ZINC000422824536 296339674 /nfs/dbraw/zinc/33/96/74/296339674.db2.gz OBCLGUNTIPSGIT-WFASDCNBSA-N 2 0 316.367 2.853 20 0 DFADRP CC[C@H]([NH2+]CC(C)(C)c1ccc2c(c1)OCCO2)[C@@H]1CCC[NH2+]1 ZINC000422823384 296339755 /nfs/dbraw/zinc/33/97/55/296339755.db2.gz LKNDPRGCPOTKRB-HOTGVXAUSA-N 2 0 318.461 2.856 20 0 DFADRP CC[NH+](CC)[C@@H](CN[C@@H](C)[C@@H]1CCC[NH2+]1)Cc1ccccc1 ZINC000422828730 296340578 /nfs/dbraw/zinc/34/05/78/296340578.db2.gz GPKJUCMUMGBEJP-UHOSZYNNSA-N 2 0 303.494 2.670 20 0 DFADRP CC(C)Oc1ccc(C[NH2+][C@@H]2CCOC[C@H]2[C@H]2CCC[NH2+]2)cc1 ZINC000422829587 296340584 /nfs/dbraw/zinc/34/05/84/296340584.db2.gz PXPAMFUHHHFALN-IPMKNSEASA-N 2 0 318.461 2.721 20 0 DFADRP CC[C@H]([NH2+]CCc1ccc(-n2cccn2)cc1)[C@H]1CCCC[NH2+]1 ZINC000422829798 296340592 /nfs/dbraw/zinc/34/05/92/296340592.db2.gz UWXXQCMQLPHYAP-RBUKOAKNSA-N 2 0 312.461 2.925 20 0 DFADRP CCOc1c(OC)cc(C[NH2+]C2CCC(C[NH3+])CC2)cc1OC ZINC000422839550 296342390 /nfs/dbraw/zinc/34/23/90/296342390.db2.gz QMWBAMHGUVRLHO-UHFFFAOYSA-N 2 0 322.449 2.710 20 0 DFADRP C[C@H]1CC[NH2+]CC[C@H]1[NH2+]CC1CC[NH+](Cc2cccs2)CC1 ZINC000422835555 296341709 /nfs/dbraw/zinc/34/17/09/296341709.db2.gz YSDYXGCIQRBPDO-MAUKXSAKSA-N 3 0 321.534 2.938 20 0 DFADRP Cc1ccc([C@H](CN[C@@H]2CCC[C@@H]2C[NH3+])[NH+]2CCCC2)cc1 ZINC000422833771 296341715 /nfs/dbraw/zinc/34/17/15/296341715.db2.gz WNZQQVZVJJYQJG-QRVBRYPASA-N 2 0 301.478 2.849 20 0 DFADRP C[C@@H]([NH3+])C[C@H](C)[NH2+]Cc1ccc(NC(=O)c2ccncc2)cc1 ZINC000422844560 296343362 /nfs/dbraw/zinc/34/33/62/296343362.db2.gz MEZLTBWFJXTNST-KGLIPLIRSA-N 2 0 312.417 2.549 20 0 DFADRP COc1ccccc1N1CC[C@H](C[NH2+][C@H]2CCCC[C@@H]2C[NH3+])C1 ZINC000422845263 296343633 /nfs/dbraw/zinc/34/36/33/296343633.db2.gz BINCSMNCIKANCY-ZACQAIPSSA-N 2 0 317.477 2.629 20 0 DFADRP C[C@H](N[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)[C@@H]1CCC[NH2+]1 ZINC000422841319 296342772 /nfs/dbraw/zinc/34/27/72/296342772.db2.gz VSEHOTSKVPOMNP-NEPXVJNWSA-N 2 0 301.478 2.770 20 0 DFADRP COc1ccc(-c2n[nH]cc2C[NH+]2CCC([C@@H](C)[NH3+])CC2)cc1 ZINC000347018951 285006446 /nfs/dbraw/zinc/00/64/46/285006446.db2.gz LMWNMKCJVZSRFG-CYBMUJFWSA-N 2 0 314.433 2.645 20 0 DFADRP O=C(CC[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1)N1CCCCCC1 ZINC000422844083 296343287 /nfs/dbraw/zinc/34/32/87/296343287.db2.gz KTSCAZVWUWIDCB-OKZBNKHCSA-N 2 0 321.509 2.680 20 0 DFADRP [NH3+]C[C@H]1CCCC[C@H]1[NH2+]Cc1ccnc(OCC(F)(F)F)c1 ZINC000422854020 296345300 /nfs/dbraw/zinc/34/53/00/296345300.db2.gz CITRNHJRNBHXJV-CHWSQXEVSA-N 2 0 317.355 2.630 20 0 DFADRP Cc1cc(C)n(-c2ccc(CC[NH2+][C@@H]3CCC[NH2+]CC3)cc2)n1 ZINC000422856545 296345548 /nfs/dbraw/zinc/34/55/48/296345548.db2.gz GGVSXUWXZOFMDH-GOSISDBHSA-N 2 0 312.461 2.763 20 0 DFADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]CC1(c2ccccc2)CCOCC1 ZINC000422852221 296345023 /nfs/dbraw/zinc/34/50/23/296345023.db2.gz XRXBBPOAQBTKIR-AEFFLSMTSA-N 2 0 302.462 2.713 20 0 DFADRP C[C@H](CCCC[NH3+])[NH2+]Cc1ccnc(OCC(F)(F)F)c1 ZINC000422860600 296346394 /nfs/dbraw/zinc/34/63/94/296346394.db2.gz LSUUAMQOBJLIKD-LLVKDONJSA-N 2 0 305.344 2.630 20 0 DFADRP COc1ccc(C(C)(C)C[NH2+][C@H]2CC[NH2+]CC[C@@H]2C)cc1OC ZINC000422864774 296346892 /nfs/dbraw/zinc/34/68/92/296346892.db2.gz VZHCHQHSXUYIBN-HOCLYGCPSA-N 2 0 320.477 2.959 20 0 DFADRP CCOCCOCc1cccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC000422858547 296346011 /nfs/dbraw/zinc/34/60/11/296346011.db2.gz IYYOBHOYMCSQCU-DFNIBXOVSA-N 2 0 318.461 2.612 20 0 DFADRP Cc1ccc(C[NH2+][C@@H](C)CCC[NH3+])c(OC[C@@H]2CCOC2)c1 ZINC000422870299 296347599 /nfs/dbraw/zinc/34/75/99/296347599.db2.gz XOUVCCIMIRYVPA-JKSUJKDBSA-N 2 0 306.450 2.627 20 0 DFADRP OCC[NH2+]C1CC[NH+](C[C@@H]2CC[C@@H](c3ccccc3)C2)CC1 ZINC000631863201 399511530 /nfs/dbraw/zinc/51/15/30/399511530.db2.gz XYOXBLYUIIBUBV-SJLPKXTDSA-N 2 0 302.462 2.617 20 0 DFADRP CCCOc1cc(C)ccc1C[NH2+][C@@H]1CCOC[C@H]1[C@H](C)[NH3+] ZINC000422869503 296347784 /nfs/dbraw/zinc/34/77/84/296347784.db2.gz AKJHCZOXMKFICG-BHYGNILZSA-N 2 0 306.450 2.626 20 0 DFADRP C[C@H](CN[C@@H](Cc1ccccc1)[C@H](C)[NH3+])[N@@H+]1CCC[C@@H](C)C1 ZINC000422870837 296347787 /nfs/dbraw/zinc/34/77/87/296347787.db2.gz ZHUYIRWASDKCLQ-VXNCWWDNSA-N 2 0 303.494 2.655 20 0 DFADRP C[C@H](CCC[NH3+])[NH2+][C@@H](C)c1ccc(NC(=O)NC2CC2)cc1 ZINC000422877364 296349203 /nfs/dbraw/zinc/34/92/03/296349203.db2.gz HWDWPNAUBHQQCQ-OLZOCXBDSA-N 2 0 304.438 2.749 20 0 DFADRP Cc1ccc([C@@H](CN[C@@H](C)[C@H]2CCCC[NH2+]2)[NH+]2CCCC2)o1 ZINC000422877963 296348969 /nfs/dbraw/zinc/34/89/69/296348969.db2.gz JEWJHBZRGATIRE-GVDBMIGSSA-N 2 0 305.466 2.845 20 0 DFADRP Cc1ccc(Cl)cc1N1CC[C@H](C[NH2+]C2CC[NH2+]CC2)C1 ZINC000422883889 296350040 /nfs/dbraw/zinc/35/00/40/296350040.db2.gz VWMMYVSLCQJOFB-CQSZACIVSA-N 2 0 307.869 2.816 20 0 DFADRP C[C@@H]([NH2+]CCCC[N@H+]1C[C@H](C)C[C@H](C)C1)c1cnccc1N ZINC000422887714 296350979 /nfs/dbraw/zinc/35/09/79/296350979.db2.gz YZVXWQDCEBHGHZ-OWCLPIDISA-N 2 0 304.482 2.903 20 0 DFADRP COCCOc1ccc([C@@H](C)[NH2+][C@@H]2CCC[NH2+]CC2)cc1OC ZINC000422892316 296351458 /nfs/dbraw/zinc/35/14/58/296351458.db2.gz MRORQVOLYJNOPV-GDBMZVCRSA-N 2 0 322.449 2.513 20 0 DFADRP Cc1nc(C)c(CC[NH2+][C@@H](Cc2ccccc2)[C@H](C)[NH3+])s1 ZINC000422885594 296350657 /nfs/dbraw/zinc/35/06/57/296350657.db2.gz HCTOTYNRRIBMEI-LRDDRELGSA-N 2 0 303.475 2.851 20 0 DFADRP C[C@@H](N[C@H]1[C@H](C)C[N@@H+](Cc2ccccc2)C[C@@H]1C)[C@@H]1CCC[NH2+]1 ZINC000422887062 296350829 /nfs/dbraw/zinc/35/08/29/296350829.db2.gz JXTSWTJYQZGEDB-YSDSKTICSA-N 2 0 315.505 2.873 20 0 DFADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]Cc1ccnc(N2CCCCC2)c1 ZINC000422899713 296352677 /nfs/dbraw/zinc/35/26/77/296352677.db2.gz OYKSXHVSIOSCCM-WBVHZDCISA-N 2 0 302.466 2.550 20 0 DFADRP COC[C@@H](CCC[NH3+])[NH2+]Cc1nc2cc(Cl)ccc2s1 ZINC000422900588 296353196 /nfs/dbraw/zinc/35/31/96/296353196.db2.gz JRZOEGWLSGCRSW-LLVKDONJSA-N 2 0 313.854 2.793 20 0 DFADRP CC1CCN(c2ccc(C[NH2+][C@H]3CCCC[C@@H]3C[NH3+])cn2)CC1 ZINC000422892559 296351823 /nfs/dbraw/zinc/35/18/23/296351823.db2.gz NIHPDACBXHLGSF-MSOLQXFVSA-N 2 0 316.493 2.925 20 0 DFADRP Cc1ccccc1CN1CCC([NH2+][C@H]2CC[NH2+]CC[C@@H]2C)CC1 ZINC000422897831 296352525 /nfs/dbraw/zinc/35/25/25/296352525.db2.gz KHGZVVDOSZTQCD-PXNSSMCTSA-N 2 0 315.505 2.937 20 0 DFADRP CC[C@H](C)[N@H+](C)CCN[C@@H](c1ccc(OC)cc1)[C@@H]1CCC[NH2+]1 ZINC000422904232 296353819 /nfs/dbraw/zinc/35/38/19/296353819.db2.gz GKZYDLCNZREVFJ-SNRMKQJTSA-N 2 0 319.493 2.808 20 0 DFADRP COc1ccc(Cl)cc1N1CC[C@H]([NH2+][C@H](C)C[C@@H](C)[NH3+])C1 ZINC000422906545 296354134 /nfs/dbraw/zinc/35/41/34/296354134.db2.gz KFEIXVUJDROQTH-BZPMIXESSA-N 2 0 311.857 2.643 20 0 DFADRP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+][C@H]1CCCN(Cc2c(F)cccc2F)C1 ZINC000422903265 296353689 /nfs/dbraw/zinc/35/36/89/296353689.db2.gz FHHWGINRXFXTSJ-DEYYWGMASA-N 2 0 323.431 2.646 20 0 DFADRP FC(F)(F)CC[NH2+][C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422917441 296355345 /nfs/dbraw/zinc/35/53/45/296355345.db2.gz DWVAUHTYWMOYPF-GXTWGEPZSA-N 2 0 300.324 2.784 20 0 DFADRP Clc1ccc(OCC[NH2+][C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)nc1 ZINC000422927989 296356547 /nfs/dbraw/zinc/35/65/47/296356547.db2.gz IESVCUCZBVGQRC-RBSFLKMASA-N 2 0 309.841 2.624 20 0 DFADRP Clc1ccc(OCC[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)nc1 ZINC000422927991 296356558 /nfs/dbraw/zinc/35/65/58/296356558.db2.gz IESVCUCZBVGQRC-ZNMIVQPWSA-N 2 0 309.841 2.624 20 0 DFADRP CC(C)[C@H](CN[C@@H](C)[C@@H]1CC[NH2+]C1)[N@@H+]1CCc2ccccc2C1 ZINC000422935688 296357424 /nfs/dbraw/zinc/35/74/24/296357424.db2.gz HKQKJQLOFFYEKG-HQRMLTQVSA-N 2 0 315.505 2.657 20 0 DFADRP [NH3+]C[C@H]1CCC[C@H]1[NH2+]CCOc1cccc(C(F)(F)F)c1 ZINC000422929935 296356745 /nfs/dbraw/zinc/35/67/45/296356745.db2.gz ALFGFFMZQKVFGF-BXUZGUMPSA-N 2 0 302.340 2.801 20 0 DFADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]CCOc1ncccc1Cl ZINC000422931074 296356891 /nfs/dbraw/zinc/35/68/91/296356891.db2.gz WWYFAIFEYCOLQX-NSHDSACASA-N 2 0 320.824 2.627 20 0 DFADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]Cc1ccc(Br)s1 ZINC000422925271 296356248 /nfs/dbraw/zinc/35/62/48/296356248.db2.gz ATUIZYQVGGDUMT-MWLCHTKSSA-N 2 0 303.269 2.988 20 0 DFADRP CCOC(=O)C1([C@H](C)[NH2+]CC2(C)CCCCC2)CC[NH2+]CC1 ZINC000422927930 296356311 /nfs/dbraw/zinc/35/63/11/296356311.db2.gz HWDLGOCJLSMASS-HNNXBMFYSA-N 2 0 310.482 2.868 20 0 DFADRP COC[C@H](CCC[NH3+])[NH2+][C@@H](C)Cc1ccc(C(F)(F)F)cc1 ZINC000422943578 296358528 /nfs/dbraw/zinc/35/85/28/296358528.db2.gz YGGUPKZEEPSCQP-WFASDCNBSA-N 2 0 318.383 2.980 20 0 DFADRP Brc1ccc(OCC[NH2+][C@@H]2CCC[NH2+]CC2)cc1 ZINC000422942203 296358658 /nfs/dbraw/zinc/35/86/58/296358658.db2.gz JAXXVTCWMHMBQM-CYBMUJFWSA-N 2 0 313.239 2.560 20 0 DFADRP C[C@H](CCC[NH3+])[NH2+]CCOc1ccc(Br)cc1 ZINC000422936750 296357822 /nfs/dbraw/zinc/35/78/22/296357822.db2.gz BRSGCUDOCCQXLN-LLVKDONJSA-N 2 0 301.228 2.545 20 0 DFADRP CC(C)[C@@H](CN[C@@H]1CCC[NH2+]CC1)[N@@H+]1CCc2ccccc2C1 ZINC000422947595 296359343 /nfs/dbraw/zinc/35/93/43/296359343.db2.gz YNKRXJZCPKWHMA-WOJBJXKFSA-N 2 0 315.505 2.801 20 0 DFADRP CC(C)[C@@H](CN[C@H]1CCC[NH2+]CC1)[N@@H+]1CCc2ccccc2C1 ZINC000422947594 296359363 /nfs/dbraw/zinc/35/93/63/296359363.db2.gz YNKRXJZCPKWHMA-VQTJNVASSA-N 2 0 315.505 2.801 20 0 DFADRP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]CCCC(=O)Nc1ccc(Cl)cc1 ZINC000422947904 296359463 /nfs/dbraw/zinc/35/94/63/296359463.db2.gz QTMFQWVWEVTSMI-WFASDCNBSA-N 2 0 309.841 2.776 20 0 DFADRP [NH3+]C[C@H]1CCC[C@H]1[NH2+]CCOc1ccc(C(F)(F)F)cc1 ZINC000422948444 296359717 /nfs/dbraw/zinc/35/97/17/296359717.db2.gz RIFXUAKHZNIHPB-BXUZGUMPSA-N 2 0 302.340 2.801 20 0 DFADRP CC(C)c1ccc([C@H]([NH3+])CNC(=O)c2ccc3c(c2)C[NH2+]C3)cc1 ZINC000347503769 285061958 /nfs/dbraw/zinc/06/19/58/285061958.db2.gz XEIMWYBEPIKTRB-LJQANCHMSA-N 2 0 323.440 2.843 20 0 DFADRP C[C@H]([NH2+]CCCC(=O)Nc1ccc(Cl)cc1)[C@@H]1CC[NH2+]C1 ZINC000422951300 296360049 /nfs/dbraw/zinc/36/00/49/296360049.db2.gz XXUUGFBYQFXFQX-QWHCGFSZSA-N 2 0 309.841 2.646 20 0 DFADRP FC(F)(F)c1cccc(OCC[NH2+][C@H]2CCC[NH2+]CC2)c1 ZINC000422951550 296360100 /nfs/dbraw/zinc/36/01/00/296360100.db2.gz YZJITXYAZYXPLL-ZDUSSCGKSA-N 2 0 302.340 2.816 20 0 DFADRP C[C@H]([NH3+])C[C@H](C)Nc1cccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000422952574 296360403 /nfs/dbraw/zinc/36/04/03/296360403.db2.gz BIDLROIKGNYDCO-YHUYYLMFSA-N 2 0 305.466 2.834 20 0 DFADRP [NH3+][C@@H]1C[C@H]([NH2+]CCCNC(=O)c2cccs2)c2ccccc21 ZINC000422957027 296360594 /nfs/dbraw/zinc/36/05/94/296360594.db2.gz SAUFEADSKJNVRV-CABCVRRESA-N 2 0 315.442 2.602 20 0 DFADRP COc1cc2c(cc1C[NH2+]C1CCC(C[NH3+])CC1)O[C@H](C)C2 ZINC000422960074 296361358 /nfs/dbraw/zinc/36/13/58/296361358.db2.gz APZHNGVDNOGFMK-VEAWUBTESA-N 2 0 304.434 2.626 20 0 DFADRP C[C@H](c1ccncc1)N1CCC([NH2+][C@H]2CCCC[C@@H]2C[NH3+])CC1 ZINC000422963711 296361651 /nfs/dbraw/zinc/36/16/51/296361651.db2.gz GOLZBFHCEDNJQD-SUMDDJOVSA-N 2 0 316.493 2.714 20 0 DFADRP C[C@H]1C[N@H+](C)CC[C@H]1N(C)c1nc2ccccc2n2cncc12 ZINC000624024460 399527557 /nfs/dbraw/zinc/52/75/57/399527557.db2.gz LAUGGZZUUIRHAC-DZGCQCFKSA-N 2 0 309.417 2.659 20 0 DFADRP c1ccc(N2CC[C@H]([NH2+][C@@H]3CCC[C@@H]3[C@H]3CCCC[NH2+]3)C2)nc1 ZINC000422968858 296362714 /nfs/dbraw/zinc/36/27/14/296362714.db2.gz SHBWPQRHYUGLEM-BSDSXHPESA-N 2 0 314.477 2.561 20 0 DFADRP CC1CC[NH+](Cc2ccccc2CN[C@@H]2CCC[C@@H]2[NH3+])CC1 ZINC000422968219 296362728 /nfs/dbraw/zinc/36/27/28/296362728.db2.gz QRXKZYQLMJPMOJ-RBUKOAKNSA-N 2 0 301.478 2.888 20 0 DFADRP CCOC(=O)C1([C@H](C)[NH2+][C@H](C)CCc2ccco2)CC[NH2+]CC1 ZINC000422969283 296362737 /nfs/dbraw/zinc/36/27/37/296362737.db2.gz ZMSCADSPPHALLJ-CABCVRRESA-N 2 0 322.449 2.512 20 0 DFADRP C[C@H]([NH2+]Cc1ccnc(OC2CCCCC2)c1)[C@@H]1CC[NH2+]C1 ZINC000422969673 296362962 /nfs/dbraw/zinc/36/29/62/296362962.db2.gz DDLWKARGSNILFD-GOEBONIOSA-N 2 0 303.450 2.881 20 0 DFADRP CC(C)(CO)[C@@H](C[NH2+]C1CCC(C[NH3+])CC1)c1ccccc1 ZINC000422969937 296363153 /nfs/dbraw/zinc/36/31/53/296363153.db2.gz VIANJDDINAFFHC-VJFUWPCTSA-N 2 0 304.478 2.896 20 0 DFADRP CC1CCC(C[N@@H+]2CCN(C3CC[NH+](C)CC3)[C@@H](C)C2)CC1 ZINC000347542525 285075093 /nfs/dbraw/zinc/07/50/93/285075093.db2.gz PHOZFODUDONVFL-ADKAHSJRSA-N 2 0 307.526 2.913 20 0 DFADRP CC(C)[N@H+](C)CCCN[C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422969292 296362541 /nfs/dbraw/zinc/36/25/41/296362541.db2.gz ZOLSICKVHBKRRQ-HKUYNNGSSA-N 2 0 317.477 2.562 20 0 DFADRP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+]CCOc1ncccc1C(F)(F)F ZINC000422991306 296364460 /nfs/dbraw/zinc/36/44/60/296364460.db2.gz AVLLKGBUYTUFIE-OLZOCXBDSA-N 2 0 317.355 2.729 20 0 DFADRP CC(C)(C)C[C@H](CO)[NH2+][C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422997383 296365127 /nfs/dbraw/zinc/36/51/27/296365127.db2.gz OAHBSATXWPLFHF-ALKREAHSSA-N 2 0 318.461 2.629 20 0 DFADRP COCCCOc1cccc(C[NH2+][C@@H]2CCCC[C@H]2C[NH3+])c1 ZINC000423001031 296366062 /nfs/dbraw/zinc/36/60/62/296366062.db2.gz HJZDRPMDUTVRJR-FUHWJXTLSA-N 2 0 306.450 2.709 20 0 DFADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]CCC[C@H]1CCCC[C@@H]1O ZINC000422995215 296365320 /nfs/dbraw/zinc/36/53/20/296365320.db2.gz XJEYXESMBGSHIK-JOQOYGCGSA-N 2 0 305.466 2.831 20 0 DFADRP CCc1ccc([C@@H](CO)[NH2+][C@@H](C)c2ccc(C[NH3+])nc2C)cc1 ZINC000422997748 296365570 /nfs/dbraw/zinc/36/55/70/296365570.db2.gz BTSHBFKTGNDDTQ-IFXJQAMLSA-N 2 0 313.445 2.795 20 0 DFADRP CC[NH+](CC)[C@H](C(=O)N[C@H](C)c1nccn1C)c1ccccc1 ZINC000620594575 399533507 /nfs/dbraw/zinc/53/35/07/399533507.db2.gz GBSOSLXJSSNQBL-ZBFHGGJFSA-N 2 0 314.433 2.680 20 0 DFADRP COc1cccc(CC[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)n1 ZINC000423009628 296367060 /nfs/dbraw/zinc/36/70/60/296367060.db2.gz WBDNGVMRJNAWQS-BRWVUGGUSA-N 2 0 303.450 2.533 20 0 DFADRP COc1ccc(OC)c(CCC[NH2+][C@@H](C)[C@H]2CCCC[NH2+]2)c1 ZINC000423009167 296367092 /nfs/dbraw/zinc/36/70/92/296367092.db2.gz CIVMFGACXBXWPC-WMLDXEAASA-N 2 0 306.450 2.757 20 0 DFADRP CC(C)(CO)CCC[NH2+][C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423004593 296366394 /nfs/dbraw/zinc/36/63/94/296366394.db2.gz KCQDIKWMJHYFHO-LPHOPBHVSA-N 2 0 318.461 2.631 20 0 DFADRP Cc1cn2c(n1)[C@H](C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1)CCC2 ZINC000423005736 296366518 /nfs/dbraw/zinc/36/65/18/296366518.db2.gz NDCBBALCTHGEJZ-VVLHAWIVSA-N 2 0 302.466 2.579 20 0 DFADRP Cc1nc(C[NH3+])ccc1[C@H](C)NC[C@H]1CCC[N@H+]1CC(C)C ZINC000423006614 296366799 /nfs/dbraw/zinc/36/67/99/296366799.db2.gz WBBVGHIGZOXXDN-WMLDXEAASA-N 2 0 304.482 2.620 20 0 DFADRP C[C@@H]1C[C@H](CC[NH2+][C@H]2CCC[C@@H]2[NH3+])C[N@@H+]1Cc1ccccc1 ZINC000423006182 296366821 /nfs/dbraw/zinc/36/68/21/296366821.db2.gz UKOKCNONOARTNY-BVBHFADKSA-N 3 0 301.478 2.757 20 0 DFADRP CCO[C@@H](C[N@@H+]1CC[C@@H](CN(C)Cc2cccnc2)C1)C1CC1 ZINC000625378475 399538397 /nfs/dbraw/zinc/53/83/97/399538397.db2.gz ICEHWEJMMSUGCF-HKUYNNGSSA-N 2 0 317.477 2.650 20 0 DFADRP CC1(C[NH2+][C@@H]2CCOC[C@@H]2[C@@H]2CCC[NH2+]2)Cc2ccccc2C1 ZINC000423017868 296368114 /nfs/dbraw/zinc/36/81/14/296368114.db2.gz PRJMLAFKRYUCHX-CEXWTWQISA-N 2 0 314.473 2.538 20 0 DFADRP C[C@H](CCO)C1(C[NH2+][C@@H](Cc2ccccc2)[C@H](C)[NH3+])CCC1 ZINC000423019622 296368337 /nfs/dbraw/zinc/36/83/37/296368337.db2.gz WMUBPIXZUJPWAR-RYRKJORJSA-N 2 0 304.478 2.723 20 0 DFADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+][C@@H]1CCN(C)[C@H]1c1ccccc1 ZINC000423012818 296367521 /nfs/dbraw/zinc/36/75/21/296367521.db2.gz LNWHJWRAQAXNCZ-BEVDRBHNSA-N 2 0 324.472 2.945 20 0 DFADRP COc1ccc(C[C@H](C)C[NH2+][C@@H]2CCC[C@H]2C[NH3+])cc1OC ZINC000423020923 296369018 /nfs/dbraw/zinc/36/90/18/296369018.db2.gz DEPBQCMJKDGRPK-CWRNSKLLSA-N 2 0 306.450 2.599 20 0 DFADRP COc1ccc(C[C@H](C)C[NH2+][C@H]2CCC[C@H]2C[NH3+])cc1OC ZINC000423020922 296368664 /nfs/dbraw/zinc/36/86/64/296368664.db2.gz DEPBQCMJKDGRPK-BPUTZDHNSA-N 2 0 306.450 2.599 20 0 DFADRP Fc1cc(N2CC[C@H]([NH2+]C3C[C@H]4CC[C@@H](C3)[NH2+]4)C2)ccc1Cl ZINC000423022678 296368776 /nfs/dbraw/zinc/36/87/76/296368776.db2.gz IDQMMQPFYJIXSB-WJLOJVBCSA-N 2 0 323.843 2.930 20 0 DFADRP CN1CC[C@@H]([NH2+]C2CCC([NH3+])CC2)[C@H]1c1ccc(F)c(F)c1 ZINC000423022252 296368790 /nfs/dbraw/zinc/36/87/90/296368790.db2.gz HGZNVPKINNQZNS-DNDXXGFKSA-N 2 0 309.404 2.570 20 0 DFADRP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CCN(c2ccc(Cl)c(F)c2)C1 ZINC000423021463 296368935 /nfs/dbraw/zinc/36/89/35/296368935.db2.gz FEONPFSPEKYNBM-OZVIIMIRSA-N 2 0 311.832 2.775 20 0 DFADRP COC[C@@H](CCC[NH3+])[NH2+][C@H](c1cccc(F)c1)c1ccccn1 ZINC000423032212 296369852 /nfs/dbraw/zinc/36/98/52/296369852.db2.gz XWDVXEYRMUWDCV-SJLPKXTDSA-N 2 0 317.408 2.654 20 0 DFADRP COC[C@@H](CCC[NH3+])[NH2+][C@H](C)Cc1ccccc1C(F)(F)F ZINC000423038110 296370452 /nfs/dbraw/zinc/37/04/52/296370452.db2.gz CQAXZGOHFNAOMR-TZMCWYRMSA-N 2 0 318.383 2.980 20 0 DFADRP CCC(CC)(C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1)C(=O)OC ZINC000423039325 296370647 /nfs/dbraw/zinc/37/06/47/296370647.db2.gz QIHZVGKHOUCPEY-OWCLPIDISA-N 2 0 310.482 2.866 20 0 DFADRP Cc1nn(CC(F)(F)F)c(C)c1[C@@H](C)[NH2+][C@H]1CCC[NH2+]CC1 ZINC000423041743 296370776 /nfs/dbraw/zinc/37/07/76/296370776.db2.gz JQALCHXDDYZTLI-MFKMUULPSA-N 2 0 318.387 2.855 20 0 DFADRP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1[NH2+]Cc1ccccc1N1CCCCC1 ZINC000423041996 296371046 /nfs/dbraw/zinc/37/10/46/296371046.db2.gz KCLKCYKIIULZMP-SZMVWBNQSA-N 2 0 317.477 2.519 20 0 DFADRP C[C@H]1CN(Cc2ccccc2)C[C@H]1[NH2+]C1CCC(C[NH3+])CC1 ZINC000423045403 296371296 /nfs/dbraw/zinc/37/12/96/296371296.db2.gz CWZRVORGTPQTSZ-NHFHULPWSA-N 2 0 301.478 2.614 20 0 DFADRP c1ccc2c(c1)O[C@]1(CC[NH2+]C1)C[C@@H]2[NH2+]CC[C@H]1CCCCO1 ZINC000423043252 296371387 /nfs/dbraw/zinc/37/13/87/296371387.db2.gz OAGIEZHHPIUPKQ-HHXXYDBFSA-N 2 0 316.445 2.791 20 0 DFADRP COc1ccccc1[C@H](C[NH2+][C@H](C)[C@@H]1CC[NH2+]C1)OC(C)C ZINC000423046896 296371768 /nfs/dbraw/zinc/37/17/68/296371768.db2.gz FHMXNHFZXYOPFH-RKVPGOIHSA-N 2 0 306.450 2.749 20 0 DFADRP Cn1cc([C@@H]([NH2+]C2CCC(C[NH3+])CC2)c2ccc(F)cc2)cn1 ZINC000423054531 296372786 /nfs/dbraw/zinc/37/27/86/296372786.db2.gz USCXEFMAKVMPRT-SYGMWZTRSA-N 2 0 316.424 2.756 20 0 DFADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]C[C@@]1(O)CCC[C@@H](C(F)(F)F)C1 ZINC000423058763 296373332 /nfs/dbraw/zinc/37/33/32/296373332.db2.gz DALKEBVMNTXRKV-RFQIPJPRSA-N 2 0 308.388 2.577 20 0 DFADRP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1[NH2+][C@H]1CC[C@@H](Cc2ccccc2)C1 ZINC000423061127 296373490 /nfs/dbraw/zinc/37/34/90/296373490.db2.gz QFMXPGYROXZLHY-GBBGEASQSA-N 2 0 302.462 2.740 20 0 DFADRP Cc1ccccc1C[C@H](CO)[NH2+][C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1 ZINC000423058459 296372999 /nfs/dbraw/zinc/37/29/99/296372999.db2.gz JNDYMDYURJRFJI-IYWMVGAKSA-N 2 0 316.489 2.799 20 0 DFADRP CCN(CC[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1)CCC(F)(F)F ZINC000423067879 296374413 /nfs/dbraw/zinc/37/44/13/296374413.db2.gz ALTMGCQLVLYVLP-KFWWJZLASA-N 2 0 321.431 2.771 20 0 DFADRP Cc1ccc(C[NH2+][C@@H](C)CCCC[NH3+])c(-n2cc(Cl)cn2)n1 ZINC000423069824 296374466 /nfs/dbraw/zinc/37/44/66/296374466.db2.gz MILQPRBIKJZPLQ-LBPRGKRZSA-N 2 0 321.856 2.836 20 0 DFADRP CCOC(=O)C1([C@H](C)[NH2+]CC(C(C)C)C(C)C)CC[NH2+]CC1 ZINC000423068544 296374570 /nfs/dbraw/zinc/37/45/70/296374570.db2.gz KHYNECNKCXXLND-HNNXBMFYSA-N 2 0 312.498 2.826 20 0 DFADRP COc1ccc(F)cc1C[NH2+][C@@H](C)c1ccc(C[NH3+])nc1C ZINC000423064356 296373904 /nfs/dbraw/zinc/37/39/04/296373904.db2.gz RGAOQZMXNPAPKT-NSHDSACASA-N 2 0 303.381 2.847 20 0 DFADRP [NH3+][C@H]1CCCCC[C@@H]1[NH2+]CC1CCN(CC(F)(F)F)CC1 ZINC000423065457 296374057 /nfs/dbraw/zinc/37/40/57/296374057.db2.gz UMNQNRCQMSRHKA-KBPBESRZSA-N 2 0 307.404 2.510 20 0 DFADRP C[C@@]1(CNC2C[C@H]3CC[C@@H](C2)[NH2+]3)CCC[N@@H+]1Cc1ccccc1 ZINC000423066407 296374149 /nfs/dbraw/zinc/37/41/49/296374149.db2.gz WVTQWZIAIDECQV-XNMUZJSGSA-N 2 0 313.489 2.914 20 0 DFADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]CCN1CCc2c(Cl)cccc2C1 ZINC000423064764 296374167 /nfs/dbraw/zinc/37/41/67/296374167.db2.gz ZRVHTCSXYHDUIQ-KDOFPFPSSA-N 2 0 321.896 2.676 20 0 DFADRP [NH3+]C1CCC([NH2+]C[C@]2(Cc3ccc(F)cc3)CCC[C@H]2O)CC1 ZINC000423071947 296375022 /nfs/dbraw/zinc/37/50/22/296375022.db2.gz GNRVFIZYRJOGLD-CSODTCANSA-N 2 0 320.452 2.759 20 0 DFADRP CCOC(=O)C1([C@@H](C)[NH2+]C2CCC3(CC3)CC2)CC[NH2+]CC1 ZINC000423079993 296376070 /nfs/dbraw/zinc/37/60/70/296376070.db2.gz ZBTKTFLTHTUSMH-CQSZACIVSA-N 2 0 308.466 2.620 20 0 DFADRP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]C[C@@]1(Cc2ccc(F)cc2)CCC[C@@H]1O ZINC000423080020 296375799 /nfs/dbraw/zinc/37/57/99/296375799.db2.gz ZDOFTFQUQLJUJT-WNHJNPCNSA-N 2 0 320.452 2.616 20 0 DFADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]C[C@@H]1N(C)CCCC1(C)C ZINC000423082558 296376516 /nfs/dbraw/zinc/37/65/16/296376516.db2.gz DLBKSICJMHZKHB-DYVFJYSZSA-N 2 0 304.482 2.620 20 0 DFADRP C([NH2+][C@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1)C1CC[NH+](C2CC2)CC1 ZINC000423089714 296377099 /nfs/dbraw/zinc/37/70/99/296377099.db2.gz SXLFKMPOCKZMSU-QRVBRYPASA-N 3 0 305.510 2.761 20 0 DFADRP Fc1ccccc1CCC[NH2+][C@@H]1CCOC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000423097343 296377754 /nfs/dbraw/zinc/37/77/54/296377754.db2.gz QTIQLSIUTCEIHF-BPQIPLTHSA-N 2 0 306.425 2.505 20 0 DFADRP [NH3+][C@@H]1CCC[C@H]1[NH2+]CCc1cccc(OCC(F)(F)F)c1 ZINC000423096609 296377790 /nfs/dbraw/zinc/37/77/90/296377790.db2.gz PPGFRSNWFSCMTL-ZIAGYGMSSA-N 2 0 302.340 2.640 20 0 DFADRP COCCCOc1ccc(C[NH2+]C2CCC(C[NH3+])CC2)cc1 ZINC000423109935 296379354 /nfs/dbraw/zinc/37/93/54/296379354.db2.gz UEMWTCMEZDCOJP-UHFFFAOYSA-N 2 0 306.450 2.709 20 0 DFADRP C[C@H]([NH3+])C[C@H](C)[NH2+][C@H]1CCOc2c(Br)cccc21 ZINC000423105853 296378875 /nfs/dbraw/zinc/37/88/75/296378875.db2.gz CODDWSYIWUQACD-KWBADKCTSA-N 2 0 313.239 2.988 20 0 DFADRP C[C@@H](CC(=O)Nc1cccc(F)c1)[NH2+]C[C@@H]1CCCC[N@H+](C)C1 ZINC000624121453 399560761 /nfs/dbraw/zinc/56/07/61/399560761.db2.gz WUUGTLMBKWRPKT-GJZGRUSLSA-N 2 0 321.440 2.864 20 0 DFADRP CSCc1ccc(C[NH2+][C@@H]2CCOC[C@H]2[C@H]2CCC[NH2+]2)cc1 ZINC000423112601 296379968 /nfs/dbraw/zinc/37/99/68/296379968.db2.gz SEVQPTWKGSCIRM-RCCFBDPRSA-N 2 0 320.502 2.796 20 0 DFADRP CCOc1ccc([C@H](COC)[NH2+]C2CCC(C[NH3+])CC2)cc1 ZINC000423113969 296380134 /nfs/dbraw/zinc/38/01/34/296380134.db2.gz ZMRVZEKGEDSVBJ-PVARCSIZSA-N 2 0 306.450 2.880 20 0 DFADRP OC[C@H]1CCC[N@@H+]1CCCC[NH2+]C/C=C/c1ccc(F)c(F)c1 ZINC000286504067 219024440 /nfs/dbraw/zinc/02/44/40/219024440.db2.gz MNRLROVXKRZGLZ-LLCTXKFZSA-N 2 0 324.415 2.805 20 0 DFADRP Cc1noc(C2CCC([NH2+]C[C@@H]3CCCC[N@@H+](C)C3)CC2)n1 ZINC000624124092 399562335 /nfs/dbraw/zinc/56/23/35/399562335.db2.gz XEBVNVKHSUNUSV-FHERZECASA-N 2 0 306.454 2.726 20 0 DFADRP CO[C@H]1CCCC[C@@H]1[NH2+][C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423117449 296380494 /nfs/dbraw/zinc/38/04/94/296380494.db2.gz VOILQYITEMMRJQ-NBMJBFSESA-N 2 0 316.445 2.790 20 0 DFADRP C[C@H](C[C@@H]1COCCN1)[NH2+][C@@H]1CCc2sc(Cl)cc21 ZINC000423119214 296380602 /nfs/dbraw/zinc/38/06/02/296380602.db2.gz BTHWHUCXMAFZRT-CKYFFXLPSA-N 2 0 300.855 2.745 20 0 DFADRP CC[C@H](NC[C@]1(CO)C[C@@H]1c1ccccc1)[C@H]1CCCC[NH2+]1 ZINC000423119853 296380734 /nfs/dbraw/zinc/38/07/34/296380734.db2.gz DWRXOQKYZMLQFO-HCXYKTFWSA-N 2 0 302.462 2.663 20 0 DFADRP CC[C@H](NC[C@H](CO)c1ccccc1Cl)[C@@H]1CCCC[NH2+]1 ZINC000423119926 296380778 /nfs/dbraw/zinc/38/07/78/296380778.db2.gz FXJQWXYYDQDQRU-COXVUDFISA-N 2 0 310.869 2.926 20 0 DFADRP C[C@@H]1CC[NH2+]C[C@H]1NC[C@@H](Cc1ccccc1)C(F)(F)F ZINC000423121142 296380792 /nfs/dbraw/zinc/38/07/92/296380792.db2.gz HYWUFHSYMDTXAT-BPLDGKMQSA-N 2 0 300.368 2.995 20 0 DFADRP [NH3+][C@H]1CCCCC[C@@H]1[NH2+]CCc1cccc(C(F)(F)F)n1 ZINC000423122475 296380925 /nfs/dbraw/zinc/38/09/25/296380925.db2.gz CJWIZNOIGDWJBE-STQMWFEESA-N 2 0 301.356 2.893 20 0 DFADRP CC(C)Oc1ccc([C@@H](C[NH2+][C@H](C)C[C@H](C)[NH3+])N(C)C)cc1 ZINC000423122540 296380947 /nfs/dbraw/zinc/38/09/47/296380947.db2.gz JUFGUJYIRLHEBJ-HDMKZQKVSA-N 2 0 307.482 2.792 20 0 DFADRP Cc1cc(C[NH2+]C2CCC(C[NH3+])CC2)cc(N2CCCC2)n1 ZINC000423121569 296380982 /nfs/dbraw/zinc/38/09/82/296380982.db2.gz IZQLUIMYNRCHBY-UHFFFAOYSA-N 2 0 302.466 2.597 20 0 DFADRP CC(C)Oc1ccc([C@@H](CN[C@@H](C)[C@H]2CCC[NH2+]2)[NH+](C)C)cc1 ZINC000423124915 296381684 /nfs/dbraw/zinc/38/16/84/296381684.db2.gz MYWDVLKQUQLJKJ-KFKAGJAMSA-N 2 0 319.493 2.807 20 0 DFADRP C=Cc1ccc(CC[NH2+][C@@H]2CCOC[C@@H]2[C@@H]2CCC[NH2+]2)cc1 ZINC000423125631 296381703 /nfs/dbraw/zinc/38/17/03/296381703.db2.gz APJYTXHXXFHCIV-CEXWTWQISA-N 2 0 300.446 2.619 20 0 DFADRP CCN1C[C@@H](C)[C@@H]([NH2+]Cc2ccccc2C[N@H+](C)C(C)C)C1 ZINC000347715800 285143095 /nfs/dbraw/zinc/14/30/95/285143095.db2.gz GWPUFAGAHZKALX-APWZRJJASA-N 2 0 303.494 2.957 20 0 DFADRP Cc1cccc2c1OC[C@@H]([NH2+][C@@H](C)c1ccc(C[NH3+])nc1C)C2 ZINC000423133768 296382566 /nfs/dbraw/zinc/38/25/66/296382566.db2.gz CWBZVNYWKRNTLB-YOEHRIQHSA-N 2 0 311.429 2.811 20 0 DFADRP Fc1ccccc1N1CC[C@H](C[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000423132716 296382836 /nfs/dbraw/zinc/38/28/36/296382836.db2.gz CAEBKAPJNIGGHJ-JZWPEALZSA-N 2 0 303.425 2.525 20 0 DFADRP C[C@@H]([NH2+][C@@H](C)[C@H]1CC[NH2+]C1)c1ccc(-n2cccn2)c(F)c1 ZINC000423140520 296383915 /nfs/dbraw/zinc/38/39/15/296383915.db2.gz YVLQQTOLNQRHKS-IPYPFGDCSA-N 2 0 302.397 2.660 20 0 DFADRP CSc1ccc([C@@H](C[NH2+][C@@H]2CCC[NH2+]CC2)N(C)C)cc1 ZINC000423143152 296384077 /nfs/dbraw/zinc/38/40/77/296384077.db2.gz CLZRXAPKQXKWGO-NVXWUHKLSA-N 2 0 307.507 2.743 20 0 DFADRP Fc1cccc2c1CCC[C@@H]2[NH2+][C@@H]1CCOC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000423144432 296384083 /nfs/dbraw/zinc/38/40/83/296384083.db2.gz GVOOZGJFAINFMZ-DSLXNQLJSA-N 2 0 318.436 2.950 20 0 DFADRP C[C@@]1(C[NH2+][C@@H]2CCOC[C@H]2[C@@H]2CCC[NH2+]2)C[C@H]1c1ccccc1 ZINC000423139004 296383505 /nfs/dbraw/zinc/38/35/05/296383505.db2.gz UUSFCPAMEGEEDC-FSGKZVOOSA-N 2 0 314.473 2.927 20 0 DFADRP Cn1nc2c(c1CN[C@H]1CC[NH2+][C@H](c3ccccc3)C1)CCCC2 ZINC000423139053 296383541 /nfs/dbraw/zinc/38/35/41/296383541.db2.gz KCAGIDOMTURXOD-LPHOPBHVSA-N 2 0 324.472 2.882 20 0 DFADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]C[C@@H]1CCN(c2ccccc2F)C1 ZINC000423142115 296383653 /nfs/dbraw/zinc/38/36/53/296383653.db2.gz UASNZPOQWPLOPB-VYDXJSESSA-N 2 0 305.441 2.630 20 0 DFADRP C[C@@H]([NH2+]C[C@@H]1CCN(c2ccccc2F)C1)[C@@H]1CCCC[NH2+]1 ZINC000423141532 296383688 /nfs/dbraw/zinc/38/36/88/296383688.db2.gz QNDWSPFOMCIQQP-VYDXJSESSA-N 2 0 305.441 2.772 20 0 DFADRP CSc1ccc([C@H](CN[C@@H]2C[NH2+]CC[C@H]2C)[NH+](C)C)cc1 ZINC000423143384 296384398 /nfs/dbraw/zinc/38/43/98/296384398.db2.gz CVNPGPWBTBXSIS-XYPHTWIQSA-N 2 0 307.507 2.599 20 0 DFADRP CSc1ccc([C@H](C[NH2+][C@@H](C)[C@H]2CC[NH2+]C2)N(C)C)cc1 ZINC000423147638 296385131 /nfs/dbraw/zinc/38/51/31/296385131.db2.gz SLWGFOFHFIALKI-QRTARXTBSA-N 2 0 307.507 2.599 20 0 DFADRP COC[C@@H](CCC[NH3+])[NH2+]CCOc1ccc(Cl)c(Cl)c1 ZINC000423158039 296386237 /nfs/dbraw/zinc/38/62/37/296386237.db2.gz NQRUDXAGEMXAQC-LLVKDONJSA-N 2 0 321.248 2.716 20 0 DFADRP C[N@H+](CCCC[NH2+][C@H]1CCN[C@@H](c2ccccc2)C1)C1CC1 ZINC000423161889 296386931 /nfs/dbraw/zinc/38/69/31/296386931.db2.gz JXEGSQCZSBURJI-PKOBYXMFSA-N 2 0 301.478 2.944 20 0 DFADRP Cc1ccc(C[C@H](CO)[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)cc1C ZINC000423163574 296386997 /nfs/dbraw/zinc/38/69/97/296386997.db2.gz MVGKBPCCPHOYAH-YSTOQKLRSA-N 2 0 316.489 2.717 20 0 DFADRP C[C@H]([NH2+][C@@H](CCO)c1cccc(C(F)(F)F)c1)[C@@H]1CC[NH2+]C1 ZINC000423159381 296386424 /nfs/dbraw/zinc/38/64/24/296386424.db2.gz OYTCRNMITJGNHE-LNSITVRQSA-N 2 0 316.367 2.717 20 0 DFADRP Cc1ccc(CC[NH2+][C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)nc1 ZINC000423160981 296386449 /nfs/dbraw/zinc/38/64/49/296386449.db2.gz IGBWUOKJOUIKDR-ICSRJNTNSA-N 2 0 323.440 2.778 20 0 DFADRP C[C@@H]([NH2+][C@@H]1CCc2c1ccc(F)c2Br)C1C[NH2+]C1 ZINC000423159867 296386524 /nfs/dbraw/zinc/38/65/24/296386524.db2.gz YOZGOHQLNNZPEN-AMIZOPFISA-N 2 0 313.214 2.773 20 0 DFADRP CC1(C)CCC[N@@H+]1CCN[C@@H]1CC[NH2+][C@H](c2ccccc2)C1 ZINC000423169240 296387698 /nfs/dbraw/zinc/38/76/98/296387698.db2.gz VVIUBXAQFPMPKR-MSOLQXFVSA-N 2 0 301.478 2.944 20 0 DFADRP COCC[C@H](C)C[NH2+][C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423172860 296387783 /nfs/dbraw/zinc/38/77/83/296387783.db2.gz VSFCNHIBZLVTPU-LESCRADOSA-N 2 0 304.434 2.505 20 0 DFADRP C[C@H]([NH3+])[C@H]1COCC[C@@H]1[NH2+]C[C@@H]1[C@@H](c2ccccc2)C1(C)C ZINC000423172354 296387807 /nfs/dbraw/zinc/38/78/07/296387807.db2.gz SLOKGHGKPPHIHF-IREHDKGXSA-N 2 0 302.462 2.768 20 0 DFADRP CC(C)[C@H]([NH2+]CCCN1CC[NH2+]CC1)c1cc(F)ccc1F ZINC000423180131 296389050 /nfs/dbraw/zinc/38/90/50/296389050.db2.gz IEGHFAJRGWOOHW-KRWDZBQOSA-N 2 0 311.420 2.547 20 0 DFADRP COCCC[C@@H]([NH2+]CCC[NH3+])c1ccc(Br)cc1 ZINC000423178292 296388536 /nfs/dbraw/zinc/38/85/36/296388536.db2.gz BQOFYPOIWVYELG-CQSZACIVSA-N 2 0 315.255 2.855 20 0 DFADRP C[C@H]([NH2+]CCCN1CC[NH2+]CC1)c1ccc(F)c2ccccc21 ZINC000423178737 296388687 /nfs/dbraw/zinc/38/86/87/296388687.db2.gz GMPQBGFNDUHITP-HNNXBMFYSA-N 2 0 315.436 2.925 20 0 DFADRP CC(C)(C)[N@@H+]1CC[C@H]1CNC(=O)[C@H]1CC[NH+](C2CCCCC2)C1 ZINC000617011491 399572593 /nfs/dbraw/zinc/57/25/93/399572593.db2.gz GDZFNAVRBMOYQZ-RDJZCZTQSA-N 2 0 321.509 2.630 20 0 DFADRP C[C@@H]1C[C@H](C[NH2+][C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)[C@@H](C)O1 ZINC000423185541 296389585 /nfs/dbraw/zinc/38/95/85/296389585.db2.gz NXSFCBUVGYTJNU-SDAMIPCISA-N 2 0 316.445 2.645 20 0 DFADRP COC[C@H](CCC[NH3+])[NH2+]Cc1cc(C)ccc1Br ZINC000423186369 296389654 /nfs/dbraw/zinc/38/96/54/296389654.db2.gz ONHVXRDIRDVMAK-ZDUSSCGKSA-N 2 0 315.255 2.601 20 0 DFADRP C[C@H]1C[C@H](NCC2([NH3+])CCCCC2)C[N@@H+]1Cc1ccccc1 ZINC000423183450 296389684 /nfs/dbraw/zinc/38/96/84/296389684.db2.gz RXXXJHTXHWOAGO-WMZOPIPTSA-N 2 0 301.478 2.901 20 0 DFADRP C[N@H+](Cc1ccccc1)C1CCC([NH2+]C2CC[NH2+]CC2)CC1 ZINC000423184666 296389704 /nfs/dbraw/zinc/38/97/04/296389704.db2.gz MQIXECPMQBNLAE-UHFFFAOYSA-N 3 0 301.478 2.771 20 0 DFADRP C[C@@H](CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)NCC[NH3+] ZINC000423188812 296390205 /nfs/dbraw/zinc/39/02/05/296390205.db2.gz QLTQPEDVVMLSKL-QMMMGPOBSA-N 2 0 323.746 2.624 20 0 DFADRP C[C@H]([NH2+]CCCN1CC[NH2+]CC1)c1ccc(-c2ccccc2)o1 ZINC000423187515 296390223 /nfs/dbraw/zinc/39/02/23/296390223.db2.gz YBEDSMAIFDXLQD-INIZCTEOSA-N 2 0 313.445 2.893 20 0 DFADRP CCOC(=O)[C@@H]1CC[C@@H]([NH2+]C2CC[NH2+]CC2)c2ccccc21 ZINC000423191057 296390334 /nfs/dbraw/zinc/39/03/34/296390334.db2.gz UCUUPSGZWQZQDR-IAGOWNOFSA-N 2 0 302.418 2.510 20 0 DFADRP C[C@@H](O)C[C@@H](C)C[NH2+][C@@H](C)c1ccc(OCC[NH+](C)C)cc1 ZINC000157591011 197199380 /nfs/dbraw/zinc/19/93/80/197199380.db2.gz QEABYMIPAOKDKQ-OAGGEKHMSA-N 2 0 308.466 2.685 20 0 DFADRP Fc1ccccc1[C@@H]([NH2+]CCCN1CC[NH2+]CC1)C1CCCC1 ZINC000423193556 296390761 /nfs/dbraw/zinc/39/07/61/296390761.db2.gz WYAFROVQDWKBHW-IBGZPJMESA-N 2 0 319.468 2.942 20 0 DFADRP Cc1c([C@H](C)NCCC[NH2+]Cc2cccnc2)cnn1C(C)C ZINC000423194537 296390859 /nfs/dbraw/zinc/39/08/59/296390859.db2.gz YYSOGCDNDINCEG-HNNXBMFYSA-N 2 0 315.465 2.998 20 0 DFADRP Clc1ccc([C@H](CC2CC2)[NH2+]CCN2CC[NH2+]CC2)cc1 ZINC000423199202 296391717 /nfs/dbraw/zinc/39/17/17/296391717.db2.gz ASAMXDPCVQARDQ-KRWDZBQOSA-N 2 0 307.869 2.676 20 0 DFADRP C[C@H]([NH3+])[C@@H]1COCC[C@H]1[NH2+]CC1(c2c(F)cccc2F)CCC1 ZINC000423195686 296391162 /nfs/dbraw/zinc/39/11/62/296391162.db2.gz YBYSBDLPSKWRKN-HEHGZKQESA-N 2 0 324.415 2.728 20 0 DFADRP C[C@@H]([NH2+]CCN1CC[NH2+]CC1)c1ccc(-c2ccccc2)cc1 ZINC000423203436 296392241 /nfs/dbraw/zinc/39/22/41/296392241.db2.gz MRNHSJAPZPAWCQ-QGZVFWFLSA-N 2 0 309.457 2.909 20 0 DFADRP Cn1cc([C@H]([NH2+]C2CCC([NH3+])CC2)c2cccc(F)c2)cn1 ZINC000423205771 296392258 /nfs/dbraw/zinc/39/22/58/296392258.db2.gz BKGXUYIBFAMCAL-OFLPRAFFSA-N 2 0 302.397 2.508 20 0 DFADRP COc1cc(C)c(C[C@H](C)[NH2+][C@@H](C)[C@H]2CCC[NH2+]C2)cc1OC ZINC000423205193 296392275 /nfs/dbraw/zinc/39/22/75/296392275.db2.gz BCUDXUILJVBNGU-JYJNAYRXSA-N 2 0 320.477 2.921 20 0 DFADRP c1ccc(CC[C@@H]([NH2+]CCN2CC[NH2+]CC2)c2ccccc2)cc1 ZINC000423208622 296392458 /nfs/dbraw/zinc/39/24/58/296392458.db2.gz TYTBNMKEDOYAGV-OAQYLSRUSA-N 2 0 323.484 2.855 20 0 DFADRP C[C@@H]([NH2+][C@@H](C)c1ccc(OCC[NH+](C)C)cc1)[C@H]1CCC[NH2+]C1 ZINC000423211307 296392823 /nfs/dbraw/zinc/39/28/23/296392823.db2.gz GUZKFLSAMLOSKM-JZXOWHBKSA-N 3 0 319.493 2.666 20 0 DFADRP CCOC(=O)[C@@H]1CC[C@H]([NH2+]C[C@@H]2CCC[NH2+]C2)c2ccccc21 ZINC000423216966 296393378 /nfs/dbraw/zinc/39/33/78/296393378.db2.gz STGHYHAUNOLJAD-OLMNPRSZSA-N 2 0 316.445 2.757 20 0 DFADRP Brc1ccc2c(c1)CC[C@H]([NH2+]C[C@H]1CCC[NH2+]C1)C2 ZINC000423217122 296393469 /nfs/dbraw/zinc/39/34/69/296393469.db2.gz SXYADIUNRLGPPD-LRDDRELGSA-N 2 0 323.278 2.896 20 0 DFADRP CC(C)[C@@H]([NH2+]C[C@H]1CCC[NH2+]C1)c1ccc2[nH]c(=O)oc2c1 ZINC000423219771 296393591 /nfs/dbraw/zinc/39/35/91/296393591.db2.gz XMHSQIAWALOSCL-BLLLJJGKSA-N 2 0 303.406 2.820 20 0 DFADRP C[C@@H](Cc1ccccc1)[NH+]1CCC(NC[C@H]2CCC[NH2+]C2)CC1 ZINC000423218154 296393686 /nfs/dbraw/zinc/39/36/86/296393686.db2.gz VDRVFPICLOCKJL-HKUYNNGSSA-N 2 0 315.505 2.671 20 0 DFADRP [NH3+]C1CCC([NH2+]C2CCN(c3ccc(F)cc3F)CC2)CC1 ZINC000423220192 296393736 /nfs/dbraw/zinc/39/37/36/296393736.db2.gz UYIMWCHWKFXEPA-UHFFFAOYSA-N 2 0 309.404 2.793 20 0 DFADRP c1c2c(cc3c1OCCC[C@H]3[NH2+]C[C@@H]1CCC[NH2+]C1)CCC2 ZINC000423221492 296393975 /nfs/dbraw/zinc/39/39/75/296393975.db2.gz ZYZZIHDAIAJDJM-RDTXWAMCSA-N 2 0 300.446 2.978 20 0 DFADRP COc1ccc(C[C@@H](C)[NH2+]C2CCC([NH3+])CC2)c(C)c1OC ZINC000423228977 296394779 /nfs/dbraw/zinc/39/47/79/296394779.db2.gz GEHFICHEJABHOC-UWTIGNOOSA-N 2 0 306.450 2.803 20 0 DFADRP C[C@H]([NH2+]C1CCC([NH3+])CC1)c1ncc(Br)s1 ZINC000423220841 296394094 /nfs/dbraw/zinc/39/40/94/296394094.db2.gz VZINIZHDCIYGOR-UEJVZZJDSA-N 2 0 304.257 2.826 20 0 DFADRP C[C@@H]([NH3+])CC[NH2+][C@H]1CCCOc2ccc(Br)cc21 ZINC000423225191 296394426 /nfs/dbraw/zinc/39/44/26/296394426.db2.gz LQYWTUWYIFPABU-MFKMUULPSA-N 2 0 313.239 2.990 20 0 DFADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NCC(C)(C)[NH+]1CCC[C@H](CC)C1 ZINC000347812905 285186163 /nfs/dbraw/zinc/18/61/63/285186163.db2.gz JQADAMDLRDFTSA-DLBZAZTESA-N 2 0 323.525 2.878 20 0 DFADRP C[NH2+]C[C@H](C)C[NH2+][C@@H]1CCc2sc(Br)cc21 ZINC000423256594 296397261 /nfs/dbraw/zinc/39/72/61/296397261.db2.gz CCQDKOFEEFZUFS-WCBMZHEXSA-N 2 0 303.269 2.943 20 0 DFADRP C[C@H](Cn1cccn1)[NH2+][C@H](C)c1ccc(OCC[NH+](C)C)cc1 ZINC000271430168 208908920 /nfs/dbraw/zinc/90/89/20/208908920.db2.gz DJJZIPFJGSNUJK-HZPDHXFCSA-N 2 0 316.449 2.563 20 0 DFADRP C[C@@H]([NH2+]CC[C@H](C)[NH3+])c1ccc(I)cc1 ZINC000423242115 296396336 /nfs/dbraw/zinc/39/63/36/296396336.db2.gz YNGQULXAINSEAI-VHSXEESVSA-N 2 0 318.202 2.679 20 0 DFADRP C[C@@H]1[C@H]([NH2+]CC[C@@H]2CC[NH2+]C2)CCCN1Cc1ccccc1 ZINC000423247710 296396731 /nfs/dbraw/zinc/39/67/31/296396731.db2.gz LPGUOHASASGWID-ZIFCJYIRSA-N 2 0 301.478 2.629 20 0 DFADRP CC[C@@H]([NH2+]CC[C@H]1CCC[NH2+]C1)c1ccc2c(c1)OCCO2 ZINC000423255638 296397511 /nfs/dbraw/zinc/39/75/11/296397511.db2.gz COUKGRKIOGIZFW-GDBMZVCRSA-N 2 0 304.434 2.888 20 0 DFADRP C[C@H]([NH2+]CC[C@H]1CCC[NH2+]C1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000423261228 296397863 /nfs/dbraw/zinc/39/78/63/296397863.db2.gz RUXCKKGAEVMOAW-NSHGMRRFSA-N 2 0 315.505 2.876 20 0 DFADRP [NH3+]CCCOCC[NH2+]Cc1cc(Cl)ccc1Br ZINC000629398427 399593406 /nfs/dbraw/zinc/59/34/06/399593406.db2.gz CRAPSBBBOSOJQB-UHFFFAOYSA-N 2 0 321.646 2.558 20 0 DFADRP COc1cc([C@@H](C)[NH2+]CC[C@@H]2CCC[NH2+]C2)cc(OC)c1OC ZINC000423261362 296398059 /nfs/dbraw/zinc/39/80/59/296398059.db2.gz RYZDBUHUFKWWGP-KGLIPLIRSA-N 2 0 322.449 2.753 20 0 DFADRP CC(C)C[C@H](C[NH3+])N[C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000423269682 296399003 /nfs/dbraw/zinc/39/90/03/296399003.db2.gz WDZWZPLBOAOYBV-ZGXWSNOMSA-N 2 0 315.505 2.860 20 0 DFADRP C[NH2+]C[C@@H](C)C[NH2+][C@@H]1CCc2cc(Br)ccc2C1 ZINC000423270706 296399139 /nfs/dbraw/zinc/39/91/39/296399139.db2.gz IDHYYVFDQPDMEE-IAQYHMDHSA-N 2 0 311.267 2.752 20 0 DFADRP C[C@H]([NH2+][C@@H]1CCC[C@@H]1C[NH3+])c1ccc(NC(=O)NC2CC2)cc1 ZINC000423273959 296399603 /nfs/dbraw/zinc/39/96/03/296399603.db2.gz LGGHNNOFDIOFGK-DXCKQFNASA-N 2 0 316.449 2.749 20 0 DFADRP Cc1nn(C)c2sc([C@@H](C)[NH2+]CC[C@H]3CCC[NH2+]C3)cc12 ZINC000423267482 296398478 /nfs/dbraw/zinc/39/84/78/296398478.db2.gz FFSWUBQBQGAQBW-CHWSQXEVSA-N 2 0 306.479 2.984 20 0 DFADRP Cc1nn(C)c2sc([C@@H](C)[NH2+]CC[C@@H]3CCC[NH2+]C3)cc12 ZINC000423267483 296398517 /nfs/dbraw/zinc/39/85/17/296398517.db2.gz FFSWUBQBQGAQBW-OLZOCXBDSA-N 2 0 306.479 2.984 20 0 DFADRP CC(=O)NCCc1ccc([C@H](C)[NH2+][C@@H]2CCCC[C@H]2C[NH3+])cc1 ZINC000423265143 296398616 /nfs/dbraw/zinc/39/86/16/296398616.db2.gz AUNVJQSTGNFMAV-ZOCIIQOWSA-N 2 0 317.477 2.533 20 0 DFADRP C[NH2+]C[C@H](C)C[NH2+][C@H](C)c1ccc(OC)c(Br)c1 ZINC000423265653 296398699 /nfs/dbraw/zinc/39/86/99/296398699.db2.gz CNYRVUDPLIWUPV-WDEREUQCSA-N 2 0 315.255 2.964 20 0 DFADRP CC[NH+](CC)CCN(Cc1cccs1)C(=O)[C@H]1CCC[N@@H+]1C ZINC000347845910 285203401 /nfs/dbraw/zinc/20/34/01/285203401.db2.gz KXXYQQRVQSVGLP-MRXNPFEDSA-N 2 0 323.506 2.513 20 0 DFADRP CCN(CC)C(=O)Nc1ccc([C@@H](C)[NH2+]C[C@@H](C)C[NH3+])cc1 ZINC000423296110 296402084 /nfs/dbraw/zinc/40/20/84/296402084.db2.gz GDNRVFHEWSMVPI-UONOGXRCSA-N 2 0 306.454 2.806 20 0 DFADRP COC(=O)C[C@@H]1CC[C@H]([NH2+]Cc2ccc([C@@H](C)[NH3+])cc2)[C@H]1C ZINC000423292692 296401765 /nfs/dbraw/zinc/40/17/65/296401765.db2.gz NYZVPUCGCVHULS-RMHZUWNSSA-N 2 0 304.434 2.774 20 0 DFADRP CC[NH+](CC)CC1CCN(C(=O)c2ccc([C@@H](C)[NH3+])cc2)CC1 ZINC000423322916 296404058 /nfs/dbraw/zinc/40/40/58/296404058.db2.gz HLYPWIHIDSHSHB-OAHLLOKOSA-N 2 0 317.477 2.900 20 0 DFADRP C[C@@H]([NH3+])c1ccc(C(=O)NC[C@H](c2ccsc2)[NH+](C)C)cc1 ZINC000423321579 296404074 /nfs/dbraw/zinc/40/40/74/296404074.db2.gz GMPJUVUHHHABDA-MLGOLLRUSA-N 2 0 317.458 2.801 20 0 DFADRP CC[NH+](CC)Cc1cccc(CNC(=O)[C@H]2CCC[NH2+][C@@H]2C)c1 ZINC000423329933 296405195 /nfs/dbraw/zinc/40/51/95/296405195.db2.gz OZIORMUDCDLCNB-QAPCUYQASA-N 2 0 317.477 2.533 20 0 DFADRP CC1CC[NH+](CCNC(=O)C(C)(C)[C@H]([NH3+])c2ccccc2)CC1 ZINC000423339456 296406422 /nfs/dbraw/zinc/40/64/22/296406422.db2.gz VCQSKMBPLDBFON-QGZVFWFLSA-N 2 0 317.477 2.561 20 0 DFADRP CC1(C)[C@H](OCc2ccccc2)C[C@@H]1[NH2+]CC1=CC[NH2+]CC1 ZINC000423349024 296407376 /nfs/dbraw/zinc/40/73/76/296407376.db2.gz VRCPRLDIEQIOKT-ZWKOTPCHSA-N 2 0 300.446 2.880 20 0 DFADRP Brc1ccc2c(c1)CC[C@@H]2[NH2+]CC1=CC[NH2+]CC1 ZINC000423350204 296407395 /nfs/dbraw/zinc/40/73/95/296407395.db2.gz YVJQHSGLOYIXQB-HNNXBMFYSA-N 2 0 307.235 2.946 20 0 DFADRP FC(F)(F)Oc1ccc2c(c1)[C@H]([NH2+]C[C@@H]1CC[NH2+]C1)CC2 ZINC000423351419 296407489 /nfs/dbraw/zinc/40/74/89/296407489.db2.gz ZCZROJRAXAZCER-QMTHXVAHSA-N 2 0 300.324 2.772 20 0 DFADRP CC(C)[C@H](C(=O)Nc1ccc(CC[NH+]2CCCC2)cc1)[C@H](C)[NH3+] ZINC000423352376 296407713 /nfs/dbraw/zinc/40/77/13/296407713.db2.gz KIWRKIAEMYCHFX-YJBOKZPZSA-N 2 0 317.477 2.883 20 0 DFADRP CCN1CCC[C@H]([NH2+][C@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000347882879 285223375 /nfs/dbraw/zinc/22/33/75/285223375.db2.gz VGPMJNZYIZOSMM-HOJAQTOUSA-N 2 0 315.505 2.971 20 0 DFADRP CC[NH+](CC)C[C@@H](C)NC(=O)C(C)(C)[C@@H]([NH3+])c1ccccc1 ZINC000423357312 296408313 /nfs/dbraw/zinc/40/83/13/296408313.db2.gz SEKHDEAXWBDMJU-ZBFHGGJFSA-N 2 0 305.466 2.559 20 0 DFADRP CC[N@@H+]1CC[C@@H]([NH2+]CCCc2ccc(OC)c(OC)c2)[C@H](C)C1 ZINC000155198778 197031231 /nfs/dbraw/zinc/03/12/31/197031231.db2.gz UUAIYGPWSZESNC-NVXWUHKLSA-N 2 0 320.477 2.956 20 0 DFADRP c1cc(C[NH2+][C@@H]2CCC[C@@H]([C@@H]3CCOC3)C2)cc2c1C[NH2+]C2 ZINC000423368973 296409507 /nfs/dbraw/zinc/40/95/07/296409507.db2.gz DPCKFTGVGOUUPG-SZVBFZGTSA-N 2 0 300.446 2.975 20 0 DFADRP CCC[C@H](C)[C@H](CC)[NH2+]C[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000423376472 296410076 /nfs/dbraw/zinc/41/00/76/296410076.db2.gz DRQIMHSSXXKPFB-MELADBBJSA-N 2 0 309.420 2.627 20 0 DFADRP COCC1(C[NH2+][C@H](C)c2ccc(OC)cc2F)CC[NH2+]CC1 ZINC000423380509 296410450 /nfs/dbraw/zinc/41/04/50/296410450.db2.gz DTFLJVZZQLLTIB-CYBMUJFWSA-N 2 0 310.413 2.501 20 0 DFADRP OC(C[NH+]1CCC[C@@H]2CCC[C@@H]21)C[N@@H+]1CCC[C@@H]2CCC[C@@H]21 ZINC000246016539 285231465 /nfs/dbraw/zinc/23/14/65/285231465.db2.gz UKVPWJUNWRTQRK-CAMMJAKZSA-N 2 0 306.494 2.876 20 0 DFADRP CCO[C@H]1C[C@H]([NH2+]CC2(COC)CC[NH2+]CC2)C1(CC)CC ZINC000423396342 296412111 /nfs/dbraw/zinc/41/21/11/296412111.db2.gz BIUBVLVPTAPAAC-HOTGVXAUSA-N 2 0 312.498 2.576 20 0 DFADRP CC[C@H]([NH2+]CC1(COC)CC[NH2+]CC1)c1ccccc1OC ZINC000423398618 296412409 /nfs/dbraw/zinc/41/24/09/296412409.db2.gz DEEUKDSUMCQHKW-INIZCTEOSA-N 2 0 306.450 2.752 20 0 DFADRP CC(C)[C@@H]1CCCC[C@H]1[NH2+]C[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000423398428 296412486 /nfs/dbraw/zinc/41/24/86/296412486.db2.gz VJSBLCCCBIORCZ-RRFJBIMHSA-N 2 0 321.431 2.627 20 0 DFADRP C[C@@H]([NH2+]CCN1CC[C@@H](O)C1)c1ccc(F)c2ccccc21 ZINC000624231238 399606953 /nfs/dbraw/zinc/60/69/53/399606953.db2.gz UCMBPACAYBXBHC-ZIAGYGMSSA-N 2 0 302.393 2.696 20 0 DFADRP COC(=O)c1cc(C[NH2+]CCCC[N@@H+]2CCCC[C@@H]2C)cn1C ZINC000347916886 285243974 /nfs/dbraw/zinc/24/39/74/285243974.db2.gz KXKPBHZOQZLLBY-HNNXBMFYSA-N 2 0 321.465 2.556 20 0 DFADRP COc1cc(F)c([C@@H](C)[NH2+][C@@H]2C[C@H]2C2CC[NH2+]CC2)cc1OC ZINC000423421780 296415127 /nfs/dbraw/zinc/41/51/27/296415127.db2.gz BACILEMVXAWIQF-DIOULYMOSA-N 2 0 322.424 2.882 20 0 DFADRP COc1ccc(OC)c([C@H](C)[NH2+][C@@H]2C[C@H]2C2CC[NH2+]CC2)c1 ZINC000423435548 296416446 /nfs/dbraw/zinc/41/64/46/296416446.db2.gz LCXHPHUREFNYOJ-AFAVFJNCSA-N 2 0 304.434 2.743 20 0 DFADRP CCO[C@@H]1C[C@H]([NH2+][C@@H](C)CCCC[NH3+])[C@H]1Oc1ccccc1 ZINC000423444066 296416937 /nfs/dbraw/zinc/41/69/37/296416937.db2.gz WHNPAWBUURYHQX-DZJNRPSUSA-N 2 0 306.450 2.719 20 0 DFADRP COCCOc1ccc([C@H](C)[NH2+]CCC[C@@H]2CCC[NH2+]2)cc1 ZINC000423478261 296419958 /nfs/dbraw/zinc/41/99/58/296419958.db2.gz KXFXVQNDOVISEM-DOTOQJQBSA-N 2 0 306.450 2.895 20 0 DFADRP COc1ccc([C@H](NCCC[C@@H]2CCC[NH2+]2)[C@H]2CCC[NH2+]2)cc1 ZINC000423473047 296419359 /nfs/dbraw/zinc/41/93/59/296419359.db2.gz GKISXCLPQDBXBN-UHOSZYNNSA-N 2 0 317.477 2.610 20 0 DFADRP CCn1cc(C[NH2+][C@H](C)c2ccc(OCC[NH+](C)C)cc2)cn1 ZINC000271552611 209006522 /nfs/dbraw/zinc/00/65/22/209006522.db2.gz WCBURBNQIQLVQZ-OAHLLOKOSA-N 2 0 316.449 2.694 20 0 DFADRP C[C@@H](C[C@H]1CCCCC[NH2+]1)N[C@@H]1C[NH2+]C[C@H]1c1ccccc1 ZINC000423498962 296422446 /nfs/dbraw/zinc/42/24/46/296422446.db2.gz BOPNPKRYZBITSC-WZGPROSRSA-N 2 0 301.478 2.642 20 0 DFADRP C[C@H]([NH2+][C@@H]1CC[C@H](C[NH3+])C1)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000423489984 296421684 /nfs/dbraw/zinc/42/16/84/296421684.db2.gz HCBUNJFLUXGLMI-SGMGOOAPSA-N 2 0 301.434 2.694 20 0 DFADRP CC(C)[C@H]1C[C@@H]([NH2+]CC2([NH3+])C3CC4CC(C3)CC2C4)CCO1 ZINC000423524229 296426102 /nfs/dbraw/zinc/42/61/02/296426102.db2.gz JBNPJGMMNICJQE-XCWFVBJVSA-N 2 0 306.494 2.933 20 0 DFADRP COc1cc(F)c([C@H](C)[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)cc1OC ZINC000423536969 296427848 /nfs/dbraw/zinc/42/78/48/296427848.db2.gz BJZOSTTUSRZJMV-IGQOVBAYSA-N 2 0 322.424 2.882 20 0 DFADRP C[C@H]([NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1)c1cnn(Cc2ccccc2)c1 ZINC000423552599 296429071 /nfs/dbraw/zinc/42/90/71/296429071.db2.gz VKIBFUJMLBPLHD-WOGUSJMUSA-N 2 0 324.472 2.970 20 0 DFADRP c1ccc(CCN2CCC([NH2+]CCC3=CC[NH2+]CC3)CC2)cc1 ZINC000423542030 296428144 /nfs/dbraw/zinc/42/81/44/296428144.db2.gz AMNFAYWQFXIQJU-UHFFFAOYSA-N 2 0 313.489 2.593 20 0 DFADRP COc1cccc(C[C@H]([NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)C2CC2)c1 ZINC000423556304 296429417 /nfs/dbraw/zinc/42/94/17/296429417.db2.gz YXCFCKLTKZHLKD-RMJJICAUSA-N 2 0 314.473 2.994 20 0 DFADRP CCc1nc(C)c([C@@H](C)[NH2+]C[C@H](C)CN2CC[NH+](C)CC2)s1 ZINC000120804325 195240999 /nfs/dbraw/zinc/24/09/99/195240999.db2.gz AFKOCXMPOLVAOP-UONOGXRCSA-N 2 0 324.538 2.548 20 0 DFADRP CCc1nc(C)c([C@H](C)[NH2+]C[C@H](C)CN2CC[NH+](C)CC2)s1 ZINC000120804482 195241185 /nfs/dbraw/zinc/24/11/85/195241185.db2.gz AFKOCXMPOLVAOP-KBPBESRZSA-N 2 0 324.538 2.548 20 0 DFADRP CCCNC(=O)[C@@H](C)[NH2+]Cc1ccccc1C[NH+]1CCCCC1 ZINC000120840147 195247407 /nfs/dbraw/zinc/24/74/07/195247407.db2.gz DTOLJPPSECOURR-MRXNPFEDSA-N 2 0 317.477 2.677 20 0 DFADRP Cc1ccc([C@@H](C)[NH2+]C[C@@H](C)CN2CC[NH+](C)CC2)cc1C ZINC000120895470 195258758 /nfs/dbraw/zinc/25/87/58/195258758.db2.gz SNORXYHJKKOFPS-CRAIPNDOSA-N 2 0 303.494 2.838 20 0 DFADRP CCCNC(=O)[C@H](C)[NH2+]Cc1ccccc1C[NH+](CC)CC ZINC000120901175 195260831 /nfs/dbraw/zinc/26/08/31/195260831.db2.gz ADMCUBVQALDUHU-HNNXBMFYSA-N 2 0 305.466 2.533 20 0 DFADRP CCCNC(=O)[C@@H](C)[NH2+]Cc1ccccc1C[NH+](CC)CC ZINC000120901008 195261121 /nfs/dbraw/zinc/26/11/21/195261121.db2.gz ADMCUBVQALDUHU-OAHLLOKOSA-N 2 0 305.466 2.533 20 0 DFADRP NC(=O)[C@H]1CCC[N@H+](CCC[NH2+]CCCC2CCCCC2)C1 ZINC000348006858 285295153 /nfs/dbraw/zinc/29/51/53/285295153.db2.gz HSHXBEXQORAOHA-KRWDZBQOSA-N 2 0 309.498 2.524 20 0 DFADRP CCC[C@@H](C(=O)N[C@H](C[NH3+])c1ccc2ccccc2c1)[NH+](C)C ZINC000423612801 296433634 /nfs/dbraw/zinc/43/36/34/296433634.db2.gz OQXUKCFTGFVGAG-MSOLQXFVSA-N 2 0 313.445 2.686 20 0 DFADRP Cc1cnccc1OC1CC[NH+](CC[C@H]2CCC[N@H+]2C)CC1 ZINC000289475543 221001084 /nfs/dbraw/zinc/00/10/84/221001084.db2.gz XKTRDQYEGAQKST-MRXNPFEDSA-N 2 0 303.450 2.718 20 0 DFADRP Cc1cc(C[NH2+]CCC[N@@H+]2CCCO[C@H](C)C2)cc(C)c1O ZINC000289686608 221155180 /nfs/dbraw/zinc/15/51/80/221155180.db2.gz MXRWOKXZCNWPSA-MRXNPFEDSA-N 2 0 306.450 2.600 20 0 DFADRP C[C@H]([NH3+])c1ccc(C(=O)Nc2ccc3c(c2F)CC[NH2+]C3)cc1 ZINC000423651952 296436572 /nfs/dbraw/zinc/43/65/72/296436572.db2.gz MUPIWPBCEKOXIN-NSHDSACASA-N 2 0 313.376 2.743 20 0 DFADRP Cc1cccc(C[NH2+]Cc2ccnc(OCC[NH+](C)C)c2)c1F ZINC000294911158 224304947 /nfs/dbraw/zinc/30/49/47/224304947.db2.gz AZTFZFOVOOLEQF-UHFFFAOYSA-N 2 0 317.408 2.759 20 0 DFADRP O[C@@H]1CCC[C@H]1[NH+]1CCC([NH2+][C@H]2CCc3ccccc32)CC1 ZINC000271497489 285319389 /nfs/dbraw/zinc/31/93/89/285319389.db2.gz LMHJWIRYTZQUKS-IPMKNSEASA-N 2 0 300.446 2.641 20 0 DFADRP FC(F)CN1CCC[C@@H]1C[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1 ZINC000629520740 399633502 /nfs/dbraw/zinc/63/35/02/399633502.db2.gz XXPUZAGFXYLPDY-FXUDXRNXSA-N 2 0 315.452 2.616 20 0 DFADRP FC(F)CN1CCC[C@@H]1C[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1 ZINC000629520759 399633556 /nfs/dbraw/zinc/63/35/56/399633556.db2.gz XXPUZAGFXYLPDY-KLHDSHLOSA-N 2 0 315.452 2.616 20 0 DFADRP Cc1cccnc1[C@@H]1CCC[C@H]([NH2+]CC2([NH3+])CCOCC2)C1 ZINC000629519305 399634139 /nfs/dbraw/zinc/63/41/39/399634139.db2.gz FPVXLOORJIMTHD-CVEARBPZSA-N 2 0 303.450 2.514 20 0 DFADRP C[NH+]1CCC(NC[C@H]2CCCC[N@H+](Cc3ccccc3)C2)CC1 ZINC000289830434 221254849 /nfs/dbraw/zinc/25/48/49/221254849.db2.gz OFLQPQYJZXICTD-LJQANCHMSA-N 2 0 315.505 2.973 20 0 DFADRP C[NH+](C)Cc1ccc(NC(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)cc1 ZINC000289873038 221282925 /nfs/dbraw/zinc/28/29/25/221282925.db2.gz QXNZUOHSLOMVDH-GOSISDBHSA-N 2 0 321.440 2.899 20 0 DFADRP Cc1ccncc1CCCN(CCC[NH+](C)C)CCC[NH+](C)C ZINC000289899114 221301556 /nfs/dbraw/zinc/30/15/56/221301556.db2.gz UHASVZCQHJQOFG-UHFFFAOYSA-N 2 0 320.525 2.528 20 0 DFADRP C[NH2+]CCOCC[NH2+][C@H]1CCc2c1ccc(Cl)c2Cl ZINC000629529009 399636928 /nfs/dbraw/zinc/63/69/28/399636928.db2.gz PCPQKMSSDCOYAA-ZDUSSCGKSA-N 2 0 303.233 2.806 20 0 DFADRP C[NH2+]CCOCC[NH2+][C@H](C)c1oc2ccc(OC)cc2c1C ZINC000629528879 399636949 /nfs/dbraw/zinc/63/69/49/399636949.db2.gz LZIBSYDXVPMLAL-CYBMUJFWSA-N 2 0 306.406 2.636 20 0 DFADRP CCOc1cccc2cc([C@H](C)[NH2+]CCOCC[NH2+]C)oc21 ZINC000629529978 399637367 /nfs/dbraw/zinc/63/73/67/399637367.db2.gz RXARAKOAYMZQKH-ZDUSSCGKSA-N 2 0 306.406 2.718 20 0 DFADRP CC[NH+](CC)Cc1cccc(NC(=O)[C@@H]2CCC[NH2+][C@@H]2C)c1 ZINC000290021341 221384293 /nfs/dbraw/zinc/38/42/93/221384293.db2.gz SVJHSAIYYWNUNX-RHSMWYFYSA-N 2 0 303.450 2.855 20 0 DFADRP Cc1cc(Cl)c2c(c1)[C@@H]([NH2+]CCOCCC[NH3+])CCCO2 ZINC000629534870 399638870 /nfs/dbraw/zinc/63/88/70/399638870.db2.gz BXIGCNRNHWQANB-HNNXBMFYSA-N 2 0 312.841 2.817 20 0 DFADRP C[C@@H]([NH2+]CCOCCC[NH3+])[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000629539267 399640221 /nfs/dbraw/zinc/64/02/21/399640221.db2.gz PCORVWVDTBNHIY-GRYCIOLGSA-N 2 0 302.871 2.849 20 0 DFADRP COc1ccc2c(c1)[C@H]([NH2+]CCOCCC[NH3+])CCCS2 ZINC000629539069 399640226 /nfs/dbraw/zinc/64/02/26/399640226.db2.gz PENLVUSIIIEJAN-OAHLLOKOSA-N 2 0 310.463 2.577 20 0 DFADRP C[C@H]([NH2+]CCOCCC[NH3+])c1ccc(Br)c(F)c1 ZINC000629541913 399641242 /nfs/dbraw/zinc/64/12/42/399641242.db2.gz TZENFIXVHZJNNY-JTQLQIEISA-N 2 0 319.218 2.604 20 0 DFADRP Cc1ccc(C(C)(C)C[NH2+]C[C@@H](O)C[NH+]2CCCC2)c(C)c1 ZINC000629579509 399653449 /nfs/dbraw/zinc/65/34/49/399653449.db2.gz FFDALBGDYGALAF-QGZVFWFLSA-N 2 0 304.478 2.627 20 0 DFADRP C(c1nc(C2CCC2)no1)C1CC[NH+](C[C@@H]2CCC[NH2+]C2)CC1 ZINC000629580970 399653814 /nfs/dbraw/zinc/65/38/14/399653814.db2.gz HRPMZVHYEQQBDG-OAHLLOKOSA-N 2 0 318.465 2.591 20 0 DFADRP CC(C)c1ccc(O[C@H](C)C[NH2+]C[C@H](O)C[NH+]2CCCC2)cc1 ZINC000629581111 399654125 /nfs/dbraw/zinc/65/41/25/399654125.db2.gz NMHSBGBXUCKOGE-AEFFLSMTSA-N 2 0 320.477 2.624 20 0 DFADRP C[C@@H]1CCCc2ccccc2[C@H]1[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000629576267 399654164 /nfs/dbraw/zinc/65/41/64/399654164.db2.gz WYAQJZUVFZDUGP-SUMDDJOVSA-N 2 0 302.462 2.746 20 0 DFADRP O[C@H](C[NH2+]C[C@@H]1CCC[C@@H]1c1ccccc1)C[NH+]1CCCC1 ZINC000629579511 399654200 /nfs/dbraw/zinc/65/42/00/399654200.db2.gz FGMQPELFBMTYKY-IPMKNSEASA-N 2 0 302.462 2.617 20 0 DFADRP CSc1ccc(C[NH+]2CCC(CO[C@@H]3CC[NH2+]C3)CC2)cc1 ZINC000629590109 399657114 /nfs/dbraw/zinc/65/71/14/399657114.db2.gz LYNGWFCMNPEBOA-QGZVFWFLSA-N 2 0 320.502 2.999 20 0 DFADRP C/C=C\C[C@@H]1CCC[N@H+](C[C@H](O)[C@@H]([NH3+])Cc2ccccc2)C1 ZINC000629595240 399658990 /nfs/dbraw/zinc/65/89/90/399658990.db2.gz LLHQKNCPLQVKMA-UPKMYINZSA-N 2 0 302.462 2.596 20 0 DFADRP C[NH+](C)[C@@H](CC(=O)N[C@@H]1CC[N@@H+](C(C)(C)C)C1)c1ccccc1 ZINC000617345074 399670866 /nfs/dbraw/zinc/67/08/66/399670866.db2.gz WSLIHRLBGWISEM-SJORKVTESA-N 2 0 317.477 2.668 20 0 DFADRP Fc1ccc(COC2CC[NH+](CC[C@H]3CC[NH2+]C3)CC2)cc1 ZINC000629552551 399646426 /nfs/dbraw/zinc/64/64/26/399646426.db2.gz MAEGVJDMARILON-OAHLLOKOSA-N 2 0 306.425 2.806 20 0 DFADRP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1[NH2+]Cc1ccccc1CC(F)(F)F ZINC000629555288 399646687 /nfs/dbraw/zinc/64/66/87/399646687.db2.gz UKICLNMAPVUUPR-CQDKDKBSSA-N 2 0 316.367 2.633 20 0 DFADRP CO[C@H](C[N@@H+]1CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C1)C1CCCC1 ZINC000629563760 399650598 /nfs/dbraw/zinc/65/05/98/399650598.db2.gz RALGISYYBWJDQB-BFHYXJOUSA-N 2 0 308.388 2.651 20 0 DFADRP CC(C)(C)n1cc(CN2CC[C@H](C(F)(F)F)[C@H](C[NH3+])C2)cn1 ZINC000629566439 399651688 /nfs/dbraw/zinc/65/16/88/399651688.db2.gz ZAUBUCYRKQHMEL-OLZOCXBDSA-N 2 0 318.387 2.597 20 0 DFADRP C[NH2+]CCOCCN(C)[C@@H](C)c1ncc(-c2ccccc2)o1 ZINC000629569413 399652303 /nfs/dbraw/zinc/65/23/03/399652303.db2.gz CARCZOYPTNAXHR-AWEZNQCLSA-N 2 0 303.406 2.570 20 0 DFADRP C[NH2+]CCOCC[N@H+](C)Cc1ccc(F)cc1C(F)(F)F ZINC000629654768 399677455 /nfs/dbraw/zinc/67/74/55/399677455.db2.gz RNOSAGUMBOPIHO-UHFFFAOYSA-N 2 0 308.319 2.512 20 0 DFADRP C[NH2+]Cc1cn(-c2cccc(-c3cccc(C[NH+](C)C)c3)c2)nn1 ZINC000629706281 399695985 /nfs/dbraw/zinc/69/59/85/399695985.db2.gz INGRDKIXQYFIGG-UHFFFAOYSA-N 2 0 321.428 2.715 20 0 DFADRP C[NH2+][C@H](CO)c1cccc(-c2cccc(OCC[NH+](C)C)c2)c1 ZINC000629699951 399693575 /nfs/dbraw/zinc/69/35/75/399693575.db2.gz FBUMNEVBAPRPKB-LJQANCHMSA-N 2 0 314.429 2.547 20 0 DFADRP C[NH2+]CCOCC[N@H+](C)Cc1ccccc1OC1CCCC1 ZINC000629652590 399675824 /nfs/dbraw/zinc/67/58/24/399675824.db2.gz ISKOKFVHHXCAMI-UHFFFAOYSA-N 2 0 306.450 2.676 20 0 DFADRP C[NH2+]CCOCC[N@H+](C)C[C@H](C)c1ccc(C(F)(F)F)cc1 ZINC000629654232 399676443 /nfs/dbraw/zinc/67/64/43/399676443.db2.gz OEIMTMUAJQALHR-ZDUSSCGKSA-N 2 0 318.383 2.977 20 0 DFADRP FC(F)(F)[C@H]1C[C@H]([NH2+]C2CC[NH+](CC3CC3)CC2)CCO1 ZINC000348072292 285330387 /nfs/dbraw/zinc/33/03/87/285330387.db2.gz AFRTWMBVUFZDIZ-ZIAGYGMSSA-N 2 0 306.372 2.560 20 0 DFADRP CN1CC[NH+](Cc2ccccc2-c2cccc(CCC[NH3+])c2)CC1 ZINC000629735475 399707689 /nfs/dbraw/zinc/70/76/89/399707689.db2.gz YLPQUURZXSMQHB-UHFFFAOYSA-N 2 0 323.484 2.992 20 0 DFADRP C[NH+](C)Cc1ccc(F)c(-c2cccc(C[C@H](C[NH3+])CO)c2)c1 ZINC000629736407 399708656 /nfs/dbraw/zinc/70/86/56/399708656.db2.gz GBAWTHIEVLFAMV-MRXNPFEDSA-N 2 0 316.420 2.664 20 0 DFADRP C[C@H]([NH3+])c1ccc(-c2ccc(CN3CC[NH2+]CC3)cc2)cc1F ZINC000629738437 399709676 /nfs/dbraw/zinc/70/96/76/399709676.db2.gz VZJFHNYBYBAOTN-AWEZNQCLSA-N 2 0 313.420 2.918 20 0 DFADRP Cc1ccccc1[C@H]([NH3+])C(=O)NCCC[NH+](C(C)C)C(C)C ZINC000294966351 224343273 /nfs/dbraw/zinc/34/32/73/224343273.db2.gz GBWQOJNNDXGVBD-KRWDZBQOSA-N 2 0 305.466 2.620 20 0 DFADRP C[C@@H]([NH2+]CC1CCN(c2cc[nH+]cc2)CC1)C1CC[NH+](C)CC1 ZINC000089214836 542528311 /nfs/dbraw/zinc/52/83/11/542528311.db2.gz ZAKASQXIEQFZNM-MRXNPFEDSA-N 3 0 316.493 2.618 20 0 DFADRP C[C@@H]([NH2+]CCc1nnc(-c2ccccc2)o1)C1CC[NH+](C)CC1 ZINC000090659889 542538775 /nfs/dbraw/zinc/53/87/75/542538775.db2.gz DCZZHRJURLIKKQ-CQSZACIVSA-N 2 0 314.433 2.599 20 0 DFADRP CC[C@@H]1C[N@H+](Cc2ccc(OCC[NH+](C)C)cc2)CCS1 ZINC000093502012 542553549 /nfs/dbraw/zinc/55/35/49/542553549.db2.gz MYWYVZLXLHVNBY-QGZVFWFLSA-N 2 0 308.491 2.954 20 0 DFADRP CCCCCC(=O)NC1CC[NH+](CC[C@@H]2CCC[N@@H+]2C)CC1 ZINC000348082273 285335256 /nfs/dbraw/zinc/33/52/56/285335256.db2.gz YFVJHPSBROHZPK-KRWDZBQOSA-N 2 0 309.498 2.632 20 0 DFADRP O[C@H](C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1)C1CCCCC1 ZINC000249128964 285353337 /nfs/dbraw/zinc/35/33/37/285353337.db2.gz UQRPKKHJUQYTDG-YTQUADARSA-N 2 0 306.494 2.876 20 0 DFADRP C[C@H]([NH2+][C@@H]1CCc2c[nH]nc2C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000348099291 285347638 /nfs/dbraw/zinc/34/76/38/285347638.db2.gz WQIIVEKMDFJVJP-KFKAGJAMSA-N 2 0 324.472 2.767 20 0 DFADRP COC[C@H](C)[NH2+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000368235192 285354532 /nfs/dbraw/zinc/35/45/32/285354532.db2.gz NSRQHBXVQZPWFA-JCHJZTRSSA-N 2 0 302.462 2.912 20 0 DFADRP CO[C@@H]1CCN([C@@H]2CCC[C@@H]2[NH2+]Cc2ccc(C)c(F)c2)C1 ZINC000626050844 399735182 /nfs/dbraw/zinc/73/51/82/399735182.db2.gz BMMVICFTSFNQRU-BPQIPLTHSA-N 2 0 306.425 2.866 20 0 DFADRP CC[C@@H]1CC[C@@H]1[NH2+][C@H]1CCN(Cc2ccccc2)C[C@@H]1CO ZINC000348110503 285355655 /nfs/dbraw/zinc/35/56/55/285355655.db2.gz MYFMDAVFEAGKLB-YRXWBPOGSA-N 2 0 302.462 2.648 20 0 DFADRP CC(C)[N@@H+]1CCC[C@H](C[NH2+][C@@H]2CCO[C@H](C(F)(F)F)C2)C1 ZINC000348115502 285359226 /nfs/dbraw/zinc/35/92/26/285359226.db2.gz HVPPBCLFNLSXPJ-MCIONIFRSA-N 2 0 308.388 2.806 20 0 DFADRP CC[C@@H]([NH2+]C[C@@H](C)CN1CC[NH+](C)CC1)c1ccc(F)cc1 ZINC000121031245 195282598 /nfs/dbraw/zinc/28/25/98/195282598.db2.gz WRBNRIRINVBCNP-CRAIPNDOSA-N 2 0 307.457 2.750 20 0 DFADRP CC[C@H]([NH2+]C[C@@H](C)CN1CC[NH+](C)CC1)c1ccc(F)cc1 ZINC000121031118 195283179 /nfs/dbraw/zinc/28/31/79/195283179.db2.gz WRBNRIRINVBCNP-QAPCUYQASA-N 2 0 307.457 2.750 20 0 DFADRP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@@H](C)c2ccccc2F)CC1 ZINC000121101232 195293728 /nfs/dbraw/zinc/29/37/28/195293728.db2.gz NCRIQRJXMTXPAZ-CVEARBPZSA-N 2 0 307.457 2.750 20 0 DFADRP Cc1cccc(C[N@@H+](C)CC2CC[NH+](C[C@H](C)O)CC2)c1C ZINC000121110156 195295055 /nfs/dbraw/zinc/29/50/55/195295055.db2.gz BTOKLHBFDWFPGI-INIZCTEOSA-N 2 0 304.478 2.828 20 0 DFADRP C[C@H]1CCCC[C@@H]1N(C)C(=O)C[NH+]1CCC(CC[NH+](C)C)CC1 ZINC000121618592 195318615 /nfs/dbraw/zinc/31/86/15/195318615.db2.gz KHVILFJJHAHEPP-WMZOPIPTSA-N 2 0 323.525 2.687 20 0 DFADRP CC[N@H+](CC(=O)N1CCCCC1)Cc1ccc(C[NH+](C)C)cc1 ZINC000626062347 399741249 /nfs/dbraw/zinc/74/12/49/399741249.db2.gz PGVQXNAFVWMTIE-UHFFFAOYSA-N 2 0 317.477 2.583 20 0 DFADRP C[C@@H]([NH2+][C@H]1CCN(c2ncccc2Cl)C1)C1CC[NH+](C)CC1 ZINC000120032757 542577009 /nfs/dbraw/zinc/57/70/09/542577009.db2.gz NWJYYALQUBGYGN-HIFRSBDPSA-N 2 0 322.884 2.634 20 0 DFADRP C[C@@H](C(=O)Nc1ccc2c(c1)C[NH2+]CC2)[C@H]([NH3+])c1ccccc1 ZINC000295235415 533329595 /nfs/dbraw/zinc/32/95/95/533329595.db2.gz SHDJGQPGHKDPID-ACJLOTCBSA-N 2 0 309.413 2.607 20 0 DFADRP COC(=O)Nc1ccc(CC[NH2+][C@H]2CCCCC[C@@H]2[NH3+])cc1 ZINC000496135397 300019961 /nfs/dbraw/zinc/01/99/61/300019961.db2.gz VVVZYKXEUHHVFY-HOTGVXAUSA-N 2 0 305.422 2.657 20 0 DFADRP CCN(CC)c1ccc(C[NH2+][C@H](C)C2CC[NH+](C)CC2)cn1 ZINC000126897304 542608982 /nfs/dbraw/zinc/60/89/82/542608982.db2.gz FWTZKSJJLFTXQG-OAHLLOKOSA-N 2 0 304.482 2.748 20 0 DFADRP CC[NH+]1CCN(C[C@H](C)C[NH2+]C[C@@H]2C[C@@H]2c2ccccc2)CC1 ZINC000348246333 285447358 /nfs/dbraw/zinc/44/73/58/285447358.db2.gz PQFHRYMPIXXRRN-YZGWKJHDSA-N 2 0 315.505 2.653 20 0 DFADRP Cc1[nH+]c2c(Cl)cccc2c(NCC[N@@H+]2CC[C@H](O)C2)c1C ZINC000624777436 399772734 /nfs/dbraw/zinc/77/27/34/399772734.db2.gz RLAJBPWZWHZVRF-ZDUSSCGKSA-N 2 0 319.836 2.984 20 0 DFADRP CC1(C)[C@H]([NH3+])C[C@H]1[NH2+]CCOc1ccc(OC(F)(F)F)cc1 ZINC000603432613 399775213 /nfs/dbraw/zinc/77/52/13/399775213.db2.gz JKGLJXASADUORW-CHWSQXEVSA-N 2 0 318.339 2.679 20 0 DFADRP CCC[NH+]1CCC([NH2+]CCc2cnn(-c3ccccc3)c2)CC1 ZINC000130352211 542630717 /nfs/dbraw/zinc/63/07/17/542630717.db2.gz QOWIGIGOTWNUPU-UHFFFAOYSA-N 2 0 312.461 2.879 20 0 DFADRP Cc1nn(C)c(N(C)C)c1C[NH2+]CCCCC[NH+]1CCCCC1 ZINC000603516059 399785797 /nfs/dbraw/zinc/78/57/97/399785797.db2.gz DEQBMNWRLNTEJP-UHFFFAOYSA-N 2 0 321.513 2.540 20 0 DFADRP C[C@@H]([NH2+][C@H]1CCN(c2ccc(F)cc2F)C1)C1CC[NH+](C)CC1 ZINC000155489358 542696730 /nfs/dbraw/zinc/69/67/30/542696730.db2.gz XRBQCVVRZTYWIE-CJNGLKHVSA-N 2 0 323.431 2.863 20 0 DFADRP CC[N@@H+]1CC[C@@H]([NH2+]CCc2cn3cccc(C)c3n2)[C@H](C)C1 ZINC000156305040 542701022 /nfs/dbraw/zinc/70/10/22/542701022.db2.gz JUYKEHDKWOTFMP-NVXWUHKLSA-N 2 0 300.450 2.505 20 0 DFADRP Cc1cccn2cc(CC[NH2+][C@@H](C)C3CC[NH+](C)CC3)nc12 ZINC000156351142 542701053 /nfs/dbraw/zinc/70/10/53/542701053.db2.gz HMTSGUSWJQKQJV-HNNXBMFYSA-N 2 0 300.450 2.505 20 0 DFADRP CC[NH+](CC)CCN(Cc1cccs1)C(=O)C[C@@H]1CCC[NH2+]1 ZINC000163802806 132122679 /nfs/dbraw/zinc/12/26/79/132122679.db2.gz YQMDDPQTRCLQDT-HNNXBMFYSA-N 2 0 323.506 2.561 20 0 DFADRP C[C@H](CC[NH2+][C@@H]1CCO[C@H](C(F)(F)F)C1)[NH+]1CCCCC1 ZINC000348362443 285511106 /nfs/dbraw/zinc/51/11/06/285511106.db2.gz AFADGZYMDYXKIV-MCIONIFRSA-N 2 0 308.388 2.950 20 0 DFADRP COCCOc1cccc(C[NH2+][C@H](C)C2CC[NH+](C)CC2)c1 ZINC000163029713 542740898 /nfs/dbraw/zinc/74/08/98/542740898.db2.gz VRUDIHFPHBUDPM-OAHLLOKOSA-N 2 0 306.450 2.532 20 0 DFADRP COC1CCN(CC[NH2+][C@H]2CCCOc3ccc(C)cc32)CC1 ZINC000163689202 542743490 /nfs/dbraw/zinc/74/34/90/542743490.db2.gz MFEIMNSIEZZVMD-SFHVURJKSA-N 2 0 318.461 2.909 20 0 DFADRP COc1ccc2c(c1)C[C@@H]([NH2+]C[C@@H]1CC[N@@H+](C3CC3)C1)CC2 ZINC000162593921 542737826 /nfs/dbraw/zinc/73/78/26/542737826.db2.gz GKRKXYHUKKAFKC-YOEHRIQHSA-N 2 0 300.446 2.626 20 0 DFADRP CC(C)(C[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccc2c(c1)OCO2 ZINC000166395741 542751180 /nfs/dbraw/zinc/75/11/80/542751180.db2.gz ZTGIMOSBJNEWRT-HZPDHXFCSA-N 2 0 316.445 2.909 20 0 DFADRP C[C@@H]1CCCC[N@@H+]1CCCNC(=O)[C@H]([NH3+])c1cccc(Cl)c1 ZINC000163813259 542744149 /nfs/dbraw/zinc/74/41/49/542744149.db2.gz UBCPNODBSYBIHL-CZUORRHYSA-N 2 0 323.868 2.721 20 0 DFADRP C[NH2+]C[C@@H](C)C(=O)NCC1([NH2+][C@@H](C)c2ccccc2)CCCC1 ZINC000168664457 542754289 /nfs/dbraw/zinc/75/42/89/542754289.db2.gz GGGNOIMKYATRHE-CVEARBPZSA-N 2 0 317.477 2.622 20 0 DFADRP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC000603735449 399800379 /nfs/dbraw/zinc/80/03/79/399800379.db2.gz ATDLAGVCEZRAIT-KURKYZTESA-N 2 0 321.509 2.584 20 0 DFADRP CC(C)[NH+]1CCN(C(=O)CC[C@H]([NH3+])CC2CCCCC2)CC1 ZINC000424134380 296486751 /nfs/dbraw/zinc/48/67/51/296486751.db2.gz NMOCYAHTYPYBDC-KRWDZBQOSA-N 2 0 309.498 2.617 20 0 DFADRP C[NH+](C)[C@H]1CCCN(C(=O)CC[C@@H]([NH3+])CC2CCCCC2)C1 ZINC000424139291 296486959 /nfs/dbraw/zinc/48/69/59/296486959.db2.gz ACUBYPMWQSUIKH-SJORKVTESA-N 2 0 309.498 2.617 20 0 DFADRP C[NH2+]CCC1CCN(C(=O)CC[C@H]([NH3+])CC2CCCCC2)CC1 ZINC000424139779 296487644 /nfs/dbraw/zinc/48/76/44/296487644.db2.gz DZUTYBUBWDKFBU-SFHVURJKSA-N 2 0 323.525 2.912 20 0 DFADRP CN(C(=O)CC[C@@H]([NH3+])CC1CCCCC1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000424154029 296488574 /nfs/dbraw/zinc/48/85/74/296488574.db2.gz MAOFFCSSTPOIJN-HRBLRVMOSA-N 2 0 321.509 2.806 20 0 DFADRP C[C@H](C[NH2+][C@@H]1CCSc2c(F)cccc21)N1CC[NH+](C)CC1 ZINC000178773779 542778120 /nfs/dbraw/zinc/77/81/20/542778120.db2.gz JPPCQAVEGSYECV-CZUORRHYSA-N 2 0 323.481 2.588 20 0 DFADRP C[C@@H]1C[C@@H]([NH2+]CCc2nc(-c3ccccn3)cs2)CC[N@@H+]1C ZINC000181009942 542787393 /nfs/dbraw/zinc/78/73/93/542787393.db2.gz NGMXWDDMOXEJFW-KGLIPLIRSA-N 2 0 316.474 2.820 20 0 DFADRP CCC[N@H+](C)C[C@H]1CCN(CC[NH+](C)Cc2ccc(F)cc2)C1 ZINC000181730836 542791671 /nfs/dbraw/zinc/79/16/71/542791671.db2.gz KDCOPXVRMGHOJQ-GOSISDBHSA-N 2 0 321.484 2.921 20 0 DFADRP C[C@@H]1C[C@@H](Nc2ccccc2C[NH+]2CCC(O)CC2)CC[N@@H+]1C ZINC000182249550 542794103 /nfs/dbraw/zinc/79/41/03/542794103.db2.gz MKYYUHNWEZNMTI-WBVHZDCISA-N 2 0 317.477 2.538 20 0 DFADRP CCCc1cccc(C[NH2+]CCCN2CCC[N@H+](C)CC2)c1 ZINC000187211033 542819177 /nfs/dbraw/zinc/81/91/77/542819177.db2.gz NJJKHPFNVVYBQB-UHFFFAOYSA-N 2 0 303.494 2.756 20 0 DFADRP CCC[NH+](CCC)CCCC(=O)N1CC2(C[C@H]1C)CC[NH2+]CC2 ZINC000424245724 296495198 /nfs/dbraw/zinc/49/51/98/296495198.db2.gz UXLOGVIZTXPCPQ-QGZVFWFLSA-N 2 0 323.525 2.879 20 0 DFADRP CC(C)(C)CC[NH+]1CCN(C[C@H](C[NH3+])c2ccc(F)cc2)CC1 ZINC000424275330 296497821 /nfs/dbraw/zinc/49/78/21/296497821.db2.gz ATCDVKXYNJPIPA-KRWDZBQOSA-N 2 0 321.484 2.922 20 0 DFADRP CC(C)C[C@H]([NH3+])C(=O)NC[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000236699940 542895939 /nfs/dbraw/zinc/89/59/39/542895939.db2.gz FLEVQMCMKULAAS-MSOLQXFVSA-N 2 0 317.477 2.531 20 0 DFADRP CC[NH+](CC)C[C@@H]1CCN(C(=O)CC[C@H]([NH3+])c2ccccc2)C1 ZINC000236900236 542898780 /nfs/dbraw/zinc/89/87/80/542898780.db2.gz KSGBVYSQAWGCSC-WMZOPIPTSA-N 2 0 317.477 2.657 20 0 DFADRP Cc1ccc(C[NH+]2CCSCC2)cc1NC(=O)CC(C)(C)[NH3+] ZINC000237717045 542905658 /nfs/dbraw/zinc/90/56/58/542905658.db2.gz KHJJDSPLUWBZIS-UHFFFAOYSA-N 2 0 321.490 2.610 20 0 DFADRP CN1CCC[C@@H]([NH2+]Cc2ccc(C(=O)OC(C)(C)C)cc2)C1 ZINC000613235031 399827252 /nfs/dbraw/zinc/82/72/52/399827252.db2.gz PAPHERJTJQJUIN-MRXNPFEDSA-N 2 0 304.434 2.826 20 0 DFADRP CN(CC[NH2+]C(C)(C)C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000261559420 542952115 /nfs/dbraw/zinc/95/21/15/542952115.db2.gz ZBSVCAJDONJNCD-UHFFFAOYSA-N 2 0 303.494 2.971 20 0 DFADRP CCN(C(=O)CC[NH+](C)C1CCCCC1)[C@H]1CC[N@H+](CC)C1 ZINC000617925486 399834718 /nfs/dbraw/zinc/83/47/18/399834718.db2.gz MOTMQADZLFTKCM-KRWDZBQOSA-N 2 0 309.498 2.584 20 0 DFADRP c1nn(C2CC[NH+](CCCc3ccccc3)CC2)c2c1C[NH2+]C2 ZINC000424295893 296499613 /nfs/dbraw/zinc/49/96/13/296499613.db2.gz ROHAPAJORHWHEJ-UHFFFAOYSA-N 2 0 310.445 2.756 20 0 DFADRP CC[C@H](Cc1ccc(OC)c(OC)c1)[NH2+][C@@H]1CCCC[C@H]1[NH3+] ZINC000424366800 296504966 /nfs/dbraw/zinc/50/49/66/296504966.db2.gz JREBEYLZGNCBKN-BZUAXINKSA-N 2 0 306.450 2.884 20 0 DFADRP CCOC(=O)C1([C@@H](C)[NH2+][C@@H]2CCC[C@H](C3CC3)C2)CC[NH2+]CC1 ZINC000424385976 296506328 /nfs/dbraw/zinc/50/63/28/296506328.db2.gz XBLBIOSFXNUAMH-HYVNUMGLSA-N 2 0 322.493 2.866 20 0 DFADRP COc1cc2[nH+]ccc(NCC[C@@H](C)[NH3+])c2cc1Br ZINC000424410540 296507449 /nfs/dbraw/zinc/50/74/49/296507449.db2.gz IRFZTYULHHATGB-SECBINFHSA-N 2 0 324.222 2.577 20 0 DFADRP Cc1cc(C[NH3+])cc(NC(=O)NCC(C)(C)[NH+]2CCCCC2)c1 ZINC000424446292 296510124 /nfs/dbraw/zinc/51/01/24/296510124.db2.gz RHXGOPFQWBHLST-UHFFFAOYSA-N 2 0 318.465 2.840 20 0 DFADRP [NH3+]C[C@@H]1C[N@H+](CCOCc2ccccc2)C[C@H]1c1ccccc1 ZINC000304623158 543050203 /nfs/dbraw/zinc/05/02/03/543050203.db2.gz PMYNQMQYMSTPHI-UXHICEINSA-N 2 0 310.441 2.878 20 0 DFADRP C[C@H]([NH2+]CCCn1cnc2ccccc21)C1CC[NH+](C)CC1 ZINC000314171061 543068653 /nfs/dbraw/zinc/06/86/53/543068653.db2.gz BVXCMQKAOBFONT-HNNXBMFYSA-N 2 0 300.450 2.746 20 0 DFADRP C[C@H]([NH2+]CCC[N@H+](C)Cc1ccccc1)C1CC[NH+](C)CC1 ZINC000309547252 543064932 /nfs/dbraw/zinc/06/49/32/543064932.db2.gz QWCWOIYWYWFVMG-KRWDZBQOSA-N 3 0 303.494 2.828 20 0 DFADRP COc1ccc(C)cc1[C@@H](C)[NH2+]CC(C)(C)N1CC[NH+](C)CC1 ZINC000319906034 543080637 /nfs/dbraw/zinc/08/06/37/543080637.db2.gz CPSMZUNJYSVNET-MRXNPFEDSA-N 2 0 319.493 2.680 20 0 DFADRP CCCC[NH+]1CCC(NC(=O)CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000339272084 543142911 /nfs/dbraw/zinc/14/29/11/543142911.db2.gz CCTINJJNDBDPNL-MRXNPFEDSA-N 2 0 309.498 2.632 20 0 DFADRP C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CN[C@H]2CC[NH+]3CCC[C@@H]3C2)C1 ZINC000339066082 543139991 /nfs/dbraw/zinc/13/99/91/543139991.db2.gz ATKHWVGTAWTYKW-XWTMOSNGSA-N 2 0 307.526 2.959 20 0 DFADRP c1cnn(Cc2ccccc2C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000339066133 543140242 /nfs/dbraw/zinc/14/02/42/543140242.db2.gz CFCKARABVQUEQN-MOPGFXCFSA-N 2 0 310.445 2.648 20 0 DFADRP COc1ccc(COCCC[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000339067216 543140461 /nfs/dbraw/zinc/14/04/61/543140461.db2.gz FKYCVDLFRFYYNG-MSOLQXFVSA-N 2 0 318.461 2.818 20 0 DFADRP C[C@H]1CCCC[N@@H+]1CCC(=O)NCc1cccc(C[NH+](C)C)c1 ZINC000339245206 543141929 /nfs/dbraw/zinc/14/19/29/543141929.db2.gz GYHWIOAJVPZBCO-INIZCTEOSA-N 2 0 317.477 2.629 20 0 DFADRP CCCN(CC[NH+]1CCCC1)C(=O)CC[N@@H+]1CCCC[C@@H]1C ZINC000342204634 543161857 /nfs/dbraw/zinc/16/18/57/543161857.db2.gz HHBLBGTURWFMIY-KRWDZBQOSA-N 2 0 309.498 2.585 20 0 DFADRP C[N@H+](CCCn1ccnc1)CC(=O)Nc1ccc(Cl)c(F)c1 ZINC000625271879 399871526 /nfs/dbraw/zinc/87/15/26/399871526.db2.gz AACRMGAQRVLIDS-UHFFFAOYSA-N 2 0 324.787 2.636 20 0 DFADRP Cc1cc(C)c(C[NH+]2CCN(CC[NH+]3CCCC3)CC2)c(C)c1 ZINC000052585124 425885101 /nfs/dbraw/zinc/88/51/01/425885101.db2.gz NFPBLVXRIBBUGB-UHFFFAOYSA-N 2 0 315.505 2.825 20 0 DFADRP COC1(C[N@@H+]2CCC[C@H](C[NH+]3CCCCCC3)C2)CCOCC1 ZINC000365462935 292111309 /nfs/dbraw/zinc/11/13/09/292111309.db2.gz QMLXKYKUNVHYCX-GOSISDBHSA-N 2 0 324.509 2.770 20 0 DFADRP CC(C)n1cncc1C[NH+]1CCC(OCC[NH+]2CCCC2)CC1 ZINC000425338896 296568868 /nfs/dbraw/zinc/56/88/68/296568868.db2.gz QMIOUSVYWYMANP-UHFFFAOYSA-N 2 0 320.481 2.541 20 0 DFADRP CCc1nc(CN(C)Cc2cccc3c2CC[NH2+]C3)cs1 ZINC000393262253 543309337 /nfs/dbraw/zinc/30/93/37/543309337.db2.gz DEWCZMQSBUPTSL-UHFFFAOYSA-N 2 0 301.459 2.983 20 0 DFADRP CCC[N@@H+]1CC[C@H](N[C@@H]2CC[NH+](Cc3ccccc3)C[C@H]2C)C1 ZINC000398181550 543310847 /nfs/dbraw/zinc/31/08/47/543310847.db2.gz KDLPNSNNWOBUAT-YZGWKJHDSA-N 2 0 315.505 2.971 20 0 DFADRP C[C@@H](CC(=O)N1CC[NH+](CCC(C)(C)C)CC1)[C@@H]1CCC[NH2+]C1 ZINC000165701116 145230829 /nfs/dbraw/zinc/23/08/29/145230829.db2.gz GITDDJPZMNKAGJ-DLBZAZTESA-N 2 0 323.525 2.593 20 0 DFADRP C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)[C@@H]2C[C@@H]3CCCC[C@@H]3[NH2+]2)C1 ZINC000166065932 145233515 /nfs/dbraw/zinc/23/35/15/145233515.db2.gz MPJJFOHGHCTSPS-QZWWFDLISA-N 2 0 321.509 2.534 20 0 DFADRP CCOc1cc(CN[C@@H]2C[C@H](C)[N@H+](C)C[C@@H]2C)ccc1OC ZINC000168811684 145243749 /nfs/dbraw/zinc/24/37/49/145243749.db2.gz FGICBCFJOOMQPK-OFQRWUPVSA-N 2 0 306.450 2.912 20 0 DFADRP C[C@@H]1CCCC[N@@H+]1CCC(=O)N(C)C(C)(C)C[NH+]1CCCC1 ZINC000416335440 543332208 /nfs/dbraw/zinc/33/22/08/543332208.db2.gz UYCGUMHDOSRJLE-MRXNPFEDSA-N 2 0 309.498 2.584 20 0 DFADRP C[C@H](CC(=O)Nc1cccc(Cl)c1)[NH2+][C@@H]1CCC[C@@H]([NH3+])C1 ZINC000414925500 543328138 /nfs/dbraw/zinc/32/81/38/543328138.db2.gz LWAQDAPDQHQXOD-UXIGCNINSA-N 2 0 309.841 2.917 20 0 DFADRP COc1cc(C[NH+](C)C)ccc1NC(=O)C[NH+]1[C@H](C)CC[C@H]1C ZINC000633373073 399894247 /nfs/dbraw/zinc/89/42/47/399894247.db2.gz HZMMDTWADITOAN-ZIAGYGMSSA-N 2 0 319.449 2.568 20 0 DFADRP Cc1cc(N2C[C@@H]3C[C@H]2C[NH2+]3)c2cc(OC(F)F)ccc2[nH+]1 ZINC000630553055 399902414 /nfs/dbraw/zinc/90/24/14/399902414.db2.gz CRXXRYFDVZBTTG-QWRGUYRKSA-N 2 0 305.328 2.695 20 0 DFADRP CCC1([NH+]2CCCC2)CCN(C(=O)CCCC[NH+](C)C)CC1 ZINC000633953265 399964809 /nfs/dbraw/zinc/96/48/09/399964809.db2.gz BMQGSTLJYAGCIV-UHFFFAOYSA-N 2 0 309.498 2.585 20 0 DFADRP CC(C)n1ncnc1C[NH2+]CCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000631042050 399968011 /nfs/dbraw/zinc/96/80/11/399968011.db2.gz FWNORJLYVHAJRE-IYBDPMFKSA-N 2 0 307.486 2.707 20 0 DFADRP Cc1cc(C)c(/C=C/C[NH2+]C[C@H](C)N2CC[NH+](C)CC2)cc1C ZINC000631065366 399972825 /nfs/dbraw/zinc/97/28/25/399972825.db2.gz QWCKUYPDKAEXSQ-GHOSXJJBSA-N 2 0 315.505 2.851 20 0 DFADRP Cc1cc(C)c(/C=C/C[NH2+]C[C@@H](C)N2CC[NH+](C)CC2)c(C)c1 ZINC000631065418 399973150 /nfs/dbraw/zinc/97/31/50/399973150.db2.gz RPRLZWWRXREOCD-OVKVCFKUSA-N 2 0 315.505 2.851 20 0 DFADRP Cc1cc(C)c(/C=C/C[NH2+][C@H](C)CN2CC[NH+](C)CC2)c(C)c1 ZINC000631067492 399973641 /nfs/dbraw/zinc/97/36/41/399973641.db2.gz NELBHNJUHCGIQF-OVKVCFKUSA-N 2 0 315.505 2.851 20 0 DFADRP Cc1cc(C)c(/C=C\C[NH2+]CC2(O)CC[NH+](C)CC2)c(C)c1 ZINC000631077527 399975876 /nfs/dbraw/zinc/97/58/76/399975876.db2.gz GYVVCDOYOWVRAX-WAYWQWQTSA-N 2 0 302.462 2.671 20 0 DFADRP Cc1scc(C[NH2+]Cc2ccnc(OCC[NH+](C)C)c2)c1C ZINC000631101820 399980751 /nfs/dbraw/zinc/98/07/51/399980751.db2.gz NAUPUDVZVCBDFV-UHFFFAOYSA-N 2 0 319.474 2.990 20 0 DFADRP CCC1([NH+](C)C)CCN(C(=O)[C@H](C)[NH+]2CCCCCC2)CC1 ZINC000634122290 399985243 /nfs/dbraw/zinc/98/52/43/399985243.db2.gz VKMRSQUOOVYMGA-INIZCTEOSA-N 2 0 309.498 2.584 20 0 DFADRP Cn1nc2c(c1C[NH2+]CC1CC[NH+](CC3CC3)CC1)CCCC2 ZINC000631179286 399997419 /nfs/dbraw/zinc/99/74/19/399997419.db2.gz SOWGQSXZXCMFGQ-UHFFFAOYSA-N 2 0 316.493 2.511 20 0 DFADRP Cc1ccc([C@@H](C)C[NH2+]CC2(O)CC[NH+](C(C)C)CC2)cc1 ZINC000628228598 400004409 /nfs/dbraw/zinc/00/44/09/400004409.db2.gz UCIWIRANSQRLTI-KRWDZBQOSA-N 2 0 304.478 2.923 20 0 DFADRP Cc1ccc([C@@H](C)C[NH2+]CCN2CC[N@H+](C)C(C)(C)C2)cc1 ZINC000628261454 400010242 /nfs/dbraw/zinc/01/02/42/400010242.db2.gz WZSCQUVRZHRHCU-KRWDZBQOSA-N 2 0 303.494 2.714 20 0 DFADRP Cc1ccc(C[N@@H+]2CC[C@H](N[C@@H]3CC[NH+]4CCC[C@H]4C3)C2)cc1 ZINC000631258870 400014080 /nfs/dbraw/zinc/01/40/80/400014080.db2.gz DIHJJAYGNWGICZ-AABGKKOBSA-N 2 0 313.489 2.786 20 0 DFADRP C[NH+](C)CCOc1ccc(C[NH2+][C@@H]2C[C@H]2C(F)(F)F)cc1 ZINC000631264063 400014948 /nfs/dbraw/zinc/01/49/48/400014948.db2.gz XTPNIWSEDAAFHA-ZIAGYGMSSA-N 2 0 302.340 2.667 20 0 DFADRP Cc1nc(C)c(C[NH2+]CC2CC[NH+](Cc3ccncc3)CC2)o1 ZINC000628338115 400022189 /nfs/dbraw/zinc/02/21/89/400022189.db2.gz ZYNNLLPATYVIHG-UHFFFAOYSA-N 2 0 314.433 2.688 20 0 DFADRP C[NH+](C)[C@H](CC(=O)NC[C@H]1CCCC[N@H+](C)C1)c1ccccc1 ZINC000628747381 400051870 /nfs/dbraw/zinc/05/18/70/400051870.db2.gz PEHKHJCQYTVNJE-SJLPKXTDSA-N 2 0 317.477 2.528 20 0 DFADRP CCC[C@H]([NH2+]C[C@H](C)CN1CC[NH+](C)CC1)c1cc(C)ccn1 ZINC000631574823 400053377 /nfs/dbraw/zinc/05/33/77/400053377.db2.gz GKSNPHRULZTJSJ-ROUUACIJSA-N 2 0 318.509 2.704 20 0 DFADRP C[C@@H](CCc1c[nH]c2ccccc12)[NH2+]CCOCC[NH+](C)C ZINC000631621633 400059077 /nfs/dbraw/zinc/05/90/77/400059077.db2.gz QCJXNCMHUDYEEY-HNNXBMFYSA-N 2 0 303.450 2.657 20 0 DFADRP CCOC1CC([NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)C1 ZINC000631661645 400063542 /nfs/dbraw/zinc/06/35/42/400063542.db2.gz ARHBNIBJUYBVCI-XMZVIZOASA-N 2 0 302.462 2.912 20 0 DFADRP C[C@@H]([NH2+]C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1C)[C@@H]1CCOC1 ZINC000631665305 400063960 /nfs/dbraw/zinc/06/39/60/400063960.db2.gz VEUUIGDUXBZNHE-RWQQGDIJSA-N 2 0 302.462 2.769 20 0 DFADRP COC[C@H]([NH2+]C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1C)C1CC1 ZINC000631665666 400064057 /nfs/dbraw/zinc/06/40/57/400064057.db2.gz XCSZGLROFBFRRJ-MNEFBYGVSA-N 2 0 302.462 2.769 20 0 DFADRP COC[C@H]([NH2+]C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C)C1CC1 ZINC000631665672 400064158 /nfs/dbraw/zinc/06/41/58/400064158.db2.gz XCSZGLROFBFRRJ-SNRMKQJTSA-N 2 0 302.462 2.769 20 0 DFADRP C[N@H+](Cc1ccccc1)C1CCC([NH2+][C@H]2C[C@@H](CO)C2)CC1 ZINC000631673452 400064936 /nfs/dbraw/zinc/06/49/36/400064936.db2.gz SKZGARVQHWMBNP-CRIGQSRLSA-N 2 0 302.462 2.790 20 0 DFADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC[C@H](O)C(F)F ZINC000631696254 400067332 /nfs/dbraw/zinc/06/73/32/400067332.db2.gz FKOZVGTVQQLNNG-KBMXLJTQSA-N 2 0 312.404 2.503 20 0 DFADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC[C@@H](O)C(F)F ZINC000631696253 400067431 /nfs/dbraw/zinc/06/74/31/400067431.db2.gz FKOZVGTVQQLNNG-FVQBIDKESA-N 2 0 312.404 2.503 20 0 DFADRP C[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]CC[C@H](O)C(F)F)CC1 ZINC000631696889 400067715 /nfs/dbraw/zinc/06/77/15/400067715.db2.gz ILRRNUIPJRJVHW-SNPRPXQTSA-N 2 0 304.425 2.635 20 0 DFADRP C[C@@H]1CCC[C@@H]([NH+]2CCC([NH2+]CC[C@@H](O)C(F)F)CC2)C1 ZINC000631699499 400068136 /nfs/dbraw/zinc/06/81/36/400068136.db2.gz ZXSQDGFLSGJUEI-BPLDGKMQSA-N 2 0 304.425 2.635 20 0 DFADRP FC1(F)CC[C@@H](C[NH+]2CCC(CO[C@H]3CC[NH2+]C3)CC2)C1 ZINC000631830373 400078269 /nfs/dbraw/zinc/07/82/69/400078269.db2.gz QKRSGXMDQLHCGY-CABCVRRESA-N 2 0 302.409 2.512 20 0 DFADRP C[C@H]1C[N@H+](Cc2cccc(OCc3ccccn3)c2)C[C@@H]1C[NH3+] ZINC000631837002 400078792 /nfs/dbraw/zinc/07/87/92/400078792.db2.gz LJJUBDRVXBBWDO-RDJZCZTQSA-N 2 0 311.429 2.687 20 0 DFADRP C[C@@H]1C[N@H+](Cc2ccc(OCc3ccccn3)cc2)C[C@H]1C[NH3+] ZINC000631839627 400078831 /nfs/dbraw/zinc/07/88/31/400078831.db2.gz IQJIPHINFOBDGT-NVXWUHKLSA-N 2 0 311.429 2.687 20 0 DFADRP C[C@@H]([NH2+]CCOCC[NH+](C)C)c1cccc(C(F)(F)F)c1 ZINC000219323845 146001010 /nfs/dbraw/zinc/00/10/10/146001010.db2.gz LNOXSQBMDZOVNY-GFCCVEGCSA-N 2 0 304.356 2.934 20 0 DFADRP C[C@@H]([NH2+]CCOCC[NH+](C)C)c1cc(Br)cs1 ZINC000226401797 146004790 /nfs/dbraw/zinc/00/47/90/146004790.db2.gz BYKKIERBECQKNA-SNVBAGLBSA-N 2 0 321.284 2.739 20 0 DFADRP C[C@H]([NH2+]CCOCC[NH+](C)C)c1ccccc1C(F)(F)F ZINC000231786823 146017201 /nfs/dbraw/zinc/01/72/01/146017201.db2.gz CUHXLYQTPRVGHS-LBPRGKRZSA-N 2 0 304.356 2.934 20 0 DFADRP COC[C@H](CCC[NH3+])[NH2+][C@@H](C)c1cccc(Br)c1 ZINC000234802834 146017964 /nfs/dbraw/zinc/01/79/64/146017964.db2.gz MQOMVAZXWNBEKQ-FZMZJTMJSA-N 2 0 315.255 2.854 20 0 DFADRP CCCC[C@@H]([NH3+])C(=O)N1CC[C@@H](C)[N@H+](Cc2ccccc2)CC1 ZINC000236722323 146024718 /nfs/dbraw/zinc/02/47/18/146024718.db2.gz BMHZTFKKIYAVGL-SJLPKXTDSA-N 2 0 317.477 2.627 20 0 DFADRP C[C@]1(C(=O)N2CCC[C@@H](C[NH+]3CCCCCC3)C2)CCCC[NH2+]1 ZINC000237793280 146052512 /nfs/dbraw/zinc/05/25/12/146052512.db2.gz DBBYWGGAODXDAH-PKOBYXMFSA-N 2 0 321.509 2.633 20 0 DFADRP [NH3+]C1(C(=O)NCc2ccccc2C[NH+]2CCCCC2)CCCC1 ZINC000237927263 146054978 /nfs/dbraw/zinc/05/49/78/146054978.db2.gz ZWMIMVQTZBUPID-UHFFFAOYSA-N 2 0 315.461 2.560 20 0 DFADRP CC[N@@H+]1CC[C@@H](N(C)CC(=O)Nc2cccc(Cl)c2)[C@@H](C)C1 ZINC000245421226 146068991 /nfs/dbraw/zinc/06/89/91/146068991.db2.gz HVGBMRVTLLPNBE-XJKSGUPXSA-N 2 0 323.868 2.941 20 0 DFADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@H]2COC3(CCC(C)CC3)O2)[C@@H](C)C1 ZINC000245558921 146084108 /nfs/dbraw/zinc/08/41/08/146084108.db2.gz HIYPJTFJUOXKLO-WHRQZHCMSA-N 2 0 310.482 2.628 20 0 DFADRP CC[C@H](O)CC[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000245663210 146091439 /nfs/dbraw/zinc/09/14/39/146091439.db2.gz GEZZYKZWBUGRKO-OKYOBFRVSA-N 2 0 302.462 2.933 20 0 DFADRP CCC[C@H](O)C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000245710391 146096639 /nfs/dbraw/zinc/09/66/39/146096639.db2.gz NDHVIYILBLJWHH-RDGPPVDQSA-N 2 0 302.462 2.933 20 0 DFADRP CC[N@H+](C)C[C@H]1CCN([C@H](C)c2cc(C)c(C(=O)OC)o2)C1 ZINC000246215508 146130783 /nfs/dbraw/zinc/13/07/83/146130783.db2.gz ZARKWQLVDVUYFN-ZIAGYGMSSA-N 2 0 308.422 2.709 20 0 DFADRP CC[C@](C)(O)C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000248883705 146174196 /nfs/dbraw/zinc/17/41/96/146174196.db2.gz LLWNBZCXWRGDKF-RDGPPVDQSA-N 2 0 302.462 2.933 20 0 DFADRP C[NH+]1CCC(C)(C[NH2+][C@@H](c2ccccc2)c2cncnc2)CC1 ZINC000349716750 285922131 /nfs/dbraw/zinc/92/21/31/285922131.db2.gz AJLCXGQXTPELAC-SFHVURJKSA-N 2 0 310.445 2.888 20 0 DFADRP O[C@H](CC1CCCC1)C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000249153827 146189869 /nfs/dbraw/zinc/18/98/69/146189869.db2.gz YFYOXKMJNLLNLJ-QXAKKESOSA-N 2 0 306.494 2.876 20 0 DFADRP CC[NH+](CC)CCOCC[NH2+][C@H](C)c1cc(F)cc(F)c1 ZINC000349720339 285922703 /nfs/dbraw/zinc/92/27/03/285922703.db2.gz KPQSXCREUZSULK-CYBMUJFWSA-N 2 0 300.393 2.974 20 0 DFADRP CSC[C@H](O)C[NH+]1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000249454606 146198355 /nfs/dbraw/zinc/19/83/55/146198355.db2.gz NFOCMYOIIGUPGG-DOTOQJQBSA-N 2 0 314.539 2.687 20 0 DFADRP CC[NH+](CC)CCOCC[NH2+][C@H]1CCc2ccc(OC)cc21 ZINC000349724663 285924084 /nfs/dbraw/zinc/92/40/84/285924084.db2.gz UQWKYZUVJDJXTB-SFHVURJKSA-N 2 0 306.450 2.631 20 0 DFADRP CN(C[C@@H]1CCC[NH2+]C1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000261539653 146238119 /nfs/dbraw/zinc/23/81/19/146238119.db2.gz CXLNSPIIDSMLBU-RTBURBONSA-N 2 0 301.478 2.582 20 0 DFADRP [NH3+][C@@H]1C[C@@H](N[C@H]2CC[N@H+](Cc3ccccc3)C2)c2ccccc21 ZINC000261555153 146239099 /nfs/dbraw/zinc/23/90/99/146239099.db2.gz UUDHVEJSSMBFKT-PWIZWCRZSA-N 2 0 307.441 2.995 20 0 DFADRP CCN(C[C@H]1CCC[NH2+]C1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000261556873 146241127 /nfs/dbraw/zinc/24/11/27/146241127.db2.gz WKXSYEJVGDTXQD-OALUTQOASA-N 2 0 301.478 2.582 20 0 DFADRP CCN(C[C@@H]1CCC[NH2+]C1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000261556872 146241183 /nfs/dbraw/zinc/24/11/83/146241183.db2.gz WKXSYEJVGDTXQD-MOPGFXCFSA-N 2 0 301.478 2.582 20 0 DFADRP FC(F)(F)Oc1cccc(CN2CC[C@@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000261600624 146244287 /nfs/dbraw/zinc/24/42/87/146244287.db2.gz BPGCRKSCAYEQCA-CHWSQXEVSA-N 2 0 300.324 2.627 20 0 DFADRP c1ccc(C[N@@H+](C[C@H]2CCSC2)[C@H]2CCC[NH2+]CC2)nc1 ZINC000261650385 146253618 /nfs/dbraw/zinc/25/36/18/146253618.db2.gz BAPWCTISTPUYDP-WBVHZDCISA-N 2 0 305.491 2.779 20 0 DFADRP Cc1ccc([C@H]([NH3+])C(=O)NC[C@]2([NH+](C)C)CCC[C@@H](C)C2)cc1 ZINC000261649091 146253961 /nfs/dbraw/zinc/25/39/61/146253961.db2.gz FOOARTVUKPFHSC-AYBZRNKSSA-N 2 0 317.477 2.622 20 0 DFADRP CC(C)(C)[C@@H](NC(=O)CN1CC[C@](C)(C[NH3+])C1)c1cccs1 ZINC000261698931 146262312 /nfs/dbraw/zinc/26/23/12/146262312.db2.gz HZMKVRQWMXOXNU-DOTOQJQBSA-N 2 0 323.506 2.622 20 0 DFADRP COc1ccc(C[N@@H+]2C[C@@H](C[NH3+])[C@H](c3ccccc3)C2)cc1O ZINC000261715554 146265001 /nfs/dbraw/zinc/26/50/01/146265001.db2.gz MVHTXSDAPHQECG-SJORKVTESA-N 2 0 312.413 2.575 20 0 DFADRP c1cn(-c2ccc(C[NH+]3CCC([C@@H]4CCC[NH2+]4)CC3)cc2)cn1 ZINC000261752586 146270413 /nfs/dbraw/zinc/27/04/13/146270413.db2.gz PDOHTAYRAGJQBY-IBGZPJMESA-N 2 0 310.445 2.836 20 0 DFADRP CC(C)([NH3+])CN1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000261764491 146272097 /nfs/dbraw/zinc/27/20/97/146272097.db2.gz DGYRCZCGLNZFLI-IBGZPJMESA-N 2 0 301.478 2.712 20 0 DFADRP C[NH2+][C@H](C)Cc1noc([C@@H]2CCC[N@H+](Cc3ccccc3)C2)n1 ZINC000261773187 146274220 /nfs/dbraw/zinc/27/42/20/146274220.db2.gz NINLKSZHESULEN-GDBMZVCRSA-N 2 0 314.433 2.600 20 0 DFADRP [NH3+]CC[C@@H]1CCC[N@H+](Cc2ccnn2-c2ccc(F)cc2)C1 ZINC000261784070 146275779 /nfs/dbraw/zinc/27/57/79/146275779.db2.gz FRZZOVVSGUJZQV-AWEZNQCLSA-N 2 0 302.397 2.572 20 0 DFADRP CCOc1cccc(C[N@@H+]2C[C@@H](C[NH3+])[C@H](c3ccccc3)C2)n1 ZINC000261839609 146287809 /nfs/dbraw/zinc/28/78/09/146287809.db2.gz ZQJIYNRAJDLFBA-AEFFLSMTSA-N 2 0 311.429 2.655 20 0 DFADRP CC(=O)Nc1cccc(C[N@@H+]2C[C@@H](C[NH3+])[C@H](c3ccccc3)C2)c1 ZINC000261880255 146293164 /nfs/dbraw/zinc/29/31/64/146293164.db2.gz YKXIFZILUDUKJA-QUCCMNQESA-N 2 0 323.440 2.819 20 0 DFADRP CCOc1ccc(C[N@@H+]2CCC3(C2)CC[NH2+]CC3)cc1OC ZINC000261920078 146301647 /nfs/dbraw/zinc/30/16/47/146301647.db2.gz BNJCYAWHEOLHBR-UHFFFAOYSA-N 2 0 304.434 2.669 20 0 DFADRP CC[NH+](CC)CC1CCN(C(=O)CC2(C[NH3+])CCCCC2)CC1 ZINC000261919509 146301680 /nfs/dbraw/zinc/30/16/80/146301680.db2.gz RIVMHGOSPKNNBZ-UHFFFAOYSA-N 2 0 323.525 2.866 20 0 DFADRP CC[C@@H](c1ccc(Cl)cc1)[N@@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000261946209 146306847 /nfs/dbraw/zinc/30/68/47/146306847.db2.gz MFQWVIPFPBEPIM-ZBFHGGJFSA-N 2 0 323.868 2.578 20 0 DFADRP O=C(NC[C@@H]1CCC[N@H+](CCC2CCCCC2)C1)[C@@H]1CCC[NH2+]1 ZINC000261944547 146307360 /nfs/dbraw/zinc/30/73/60/146307360.db2.gz VJCRODQKEYZXTE-ROUUACIJSA-N 2 0 321.509 2.537 20 0 DFADRP CC[C@H](c1ccc(Cl)cc1)[N@@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000261946198 146307436 /nfs/dbraw/zinc/30/74/36/146307436.db2.gz MFQWVIPFPBEPIM-GDBMZVCRSA-N 2 0 323.868 2.578 20 0 DFADRP Cc1ccc(C[N@@H+]2CC[C@@]3(CC[NH2+]C3)C2)c(-c2ccnn2C)c1 ZINC000261954815 146308503 /nfs/dbraw/zinc/30/85/03/146308503.db2.gz GMXASKIBZVGQPE-LJQANCHMSA-N 2 0 310.445 2.581 20 0 DFADRP [NH3+][C@@H]1CCC[C@@H]2CN(Cc3nc4ccc(F)cc4s3)C[C@H]21 ZINC000261952955 146309324 /nfs/dbraw/zinc/30/93/24/146309324.db2.gz OEJHMGSSAFOABE-RAIGVLPGSA-N 2 0 305.422 2.995 20 0 DFADRP Clc1ccccc1CC[NH2+][C@@H]1CCC[C@@H]1[C@H]1COCCN1 ZINC000261975753 146313833 /nfs/dbraw/zinc/31/38/33/146313833.db2.gz RCCINRIIXBPGHG-USXIJHARSA-N 2 0 308.853 2.629 20 0 DFADRP Fc1ccc(OC2CC[NH+](C[C@@H]3CCC[NH2+]C3)CC2)c(F)c1 ZINC000261989848 146317650 /nfs/dbraw/zinc/31/76/50/146317650.db2.gz SFGFYHPUVGCAPG-CYBMUJFWSA-N 2 0 310.388 2.808 20 0 DFADRP C[N@H+](Cc1ccc(OC[C@H]2CCCO2)cc1)[C@@H]1CCC[NH2+]CC1 ZINC000262073028 146330997 /nfs/dbraw/zinc/33/09/97/146330997.db2.gz CUNPOXCDTVVTIU-IEBWSBKVSA-N 2 0 318.461 2.818 20 0 DFADRP CCOc1ccc(OCC[N@@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)cc1 ZINC000262111166 146334206 /nfs/dbraw/zinc/33/42/06/146334206.db2.gz JUOYKGRNPJGUPN-WBAXXEDZSA-N 2 0 304.434 2.523 20 0 DFADRP [NH3+]Cc1ccc(-c2noc([C@@H]3CCCCCC[C@@H]3[NH3+])n2)cc1 ZINC000262130438 146337151 /nfs/dbraw/zinc/33/71/51/146337151.db2.gz YCMBSHCIZKVHNN-CABCVRRESA-N 2 0 300.406 2.960 20 0 DFADRP CCc1ccc([C@@H]2C[NH2+]CCN2CCC2CC[NH2+]CC2)cc1 ZINC000262184880 146341252 /nfs/dbraw/zinc/34/12/52/146341252.db2.gz JBZDFQZFJYQKDY-IBGZPJMESA-N 2 0 301.478 2.585 20 0 DFADRP C[C@@H](C(=O)Nc1ccc(C[NH+]2CCCCCC2)cc1)C1C[NH2+]C1 ZINC000262337364 146352357 /nfs/dbraw/zinc/35/23/57/146352357.db2.gz HKVRAJANKHFVMX-OAHLLOKOSA-N 2 0 315.461 2.857 20 0 DFADRP CN(C)[C@H](C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1)c1ccco1 ZINC000262344845 146352601 /nfs/dbraw/zinc/35/26/01/146352601.db2.gz UUMNQIRABAZFKH-YYIAUSFCSA-N 2 0 305.466 2.783 20 0 DFADRP C[NH2+]CCC1CC[NH+](CC(=O)Nc2ccc(C)c(C)c2)CC1 ZINC000262343320 146352731 /nfs/dbraw/zinc/35/27/31/146352731.db2.gz UOEGXMAHDUGYJA-UHFFFAOYSA-N 2 0 303.450 2.563 20 0 DFADRP COc1cc(C[N@@H+]2CC[C@@H](C)[C@H](C[NH3+])C2)ccc1OC(F)F ZINC000262555825 146371190 /nfs/dbraw/zinc/37/11/90/146371190.db2.gz UDWDQKLENBPQBW-DGCLKSJQSA-N 2 0 314.376 2.713 20 0 DFADRP CCC[C@](C)([NH3+])C(=O)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000262703058 146383018 /nfs/dbraw/zinc/38/30/18/146383018.db2.gz KAMRAWQFXWLZSZ-YOEHRIQHSA-N 2 0 323.506 2.594 20 0 DFADRP COc1ccc(C)cc1C[NH2+]C(C)(C)CCN1CC[NH+](C)CC1 ZINC000349819695 285947117 /nfs/dbraw/zinc/94/71/17/285947117.db2.gz CQKRQXDVMOXKOR-UHFFFAOYSA-N 2 0 319.493 2.509 20 0 DFADRP CC[NH+]1CCC(CC[NH2+][C@@H]2CC[C@H](CC(=O)OC)[C@@H]2C)CC1 ZINC000354462474 147048293 /nfs/dbraw/zinc/04/82/93/147048293.db2.gz NNNSGTUJEUDANY-USXIJHARSA-N 2 0 310.482 2.676 20 0 DFADRP Clc1ccc2nc(CNC3CC[NH+](C4CC4)CC3)cn2c1 ZINC000354569239 147081676 /nfs/dbraw/zinc/08/16/76/147081676.db2.gz KFNPECLTUMNULJ-UHFFFAOYSA-N 2 0 304.825 2.704 20 0 DFADRP CCN(CCC[NH+]1CCC(CC[NH+](C)C)CC1)CC(F)(F)F ZINC000354783126 147149637 /nfs/dbraw/zinc/14/96/37/147149637.db2.gz CGHUBAHDPVDKJX-UHFFFAOYSA-N 2 0 323.447 2.924 20 0 DFADRP C[C@@H](O)CCC[N@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000355318663 147262972 /nfs/dbraw/zinc/26/29/72/147262972.db2.gz QMNUARZCBJHISG-MRXNPFEDSA-N 2 0 305.466 2.781 20 0 DFADRP CC(C)[NH+]1CCC(O)(C[NH2+]C/C=C\c2ccc(F)cc2F)CC1 ZINC000350071941 285999075 /nfs/dbraw/zinc/99/90/75/285999075.db2.gz ALUXRSDFBBBAEM-ARJAWSKDSA-N 2 0 324.415 2.803 20 0 DFADRP C[C@H](O)C[N@H+](C)C1CC[NH+]([C@@H]2CCCc3ccccc32)CC1 ZINC000357635820 148064971 /nfs/dbraw/zinc/06/49/71/148064971.db2.gz KCSSPJLOYWXYSE-HNAYVOBHSA-N 2 0 302.462 2.841 20 0 DFADRP CC(C)[NH+](CCCNC(=O)N[C@@H](C)C[N@@H+](C)C(C)C)C(C)C ZINC000357881772 148162384 /nfs/dbraw/zinc/16/23/84/148162384.db2.gz LRIMYZZPHYWNJX-INIZCTEOSA-N 2 0 314.518 2.523 20 0 DFADRP C[C@H]1C[N@H+](C)CC[C@@H]1[NH2+]CCc1nc(-c2ccncc2)cs1 ZINC000358061536 148230104 /nfs/dbraw/zinc/23/01/04/148230104.db2.gz LZOWZWDPWWELNX-ZFWWWQNUSA-N 2 0 316.474 2.677 20 0 DFADRP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(OC[C@H]3CCCO3)cc2)CC[N@@H+]1C ZINC000358104806 148245441 /nfs/dbraw/zinc/24/54/41/148245441.db2.gz YYIKXNQIFMTOQE-HHXXYDBFSA-N 2 0 318.461 2.817 20 0 DFADRP CC[NH+](CC)CCO[C@@H]1CC[N@H+](CCOc2cccc(F)c2)C1 ZINC000350285458 286024379 /nfs/dbraw/zinc/02/43/79/286024379.db2.gz IBANQAKANGBPDE-GOSISDBHSA-N 2 0 324.440 2.637 20 0 DFADRP CC(C)C[C@H]1C[C@@H]([NH2+]Cc2cc(C3CC[NH2+]CC3)no2)CCO1 ZINC000425894414 296603344 /nfs/dbraw/zinc/60/33/44/296603344.db2.gz GLIKTEVPGNMMGX-HOTGVXAUSA-N 2 0 321.465 2.825 20 0 DFADRP C[C@H]([NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccc(-n2ccnn2)cc1 ZINC000358256480 148307392 /nfs/dbraw/zinc/30/73/92/148307392.db2.gz TVEHACTXJUJLBT-LESCRADOSA-N 2 0 311.433 2.545 20 0 DFADRP Cc1cc2cc([C@@H](C)NC[C@@]3(O)CC[N@H+](C)C3)oc2cc1C ZINC000358257032 148308207 /nfs/dbraw/zinc/30/82/07/148308207.db2.gz SVNXPLHGUWWVPE-KDOFPFPSSA-N 2 0 302.418 2.767 20 0 DFADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]CC[C@H]1COc2ccccc2O1 ZINC000358304113 148321748 /nfs/dbraw/zinc/32/17/48/148321748.db2.gz SERJPHQNIHGPEH-WCVJEAGWSA-N 2 0 304.434 2.535 20 0 DFADRP Cc1cnc(CC[NH2+][C@H]2CCCN(Cc3ccccc3)C2)nc1 ZINC000358360398 148342201 /nfs/dbraw/zinc/34/22/01/148342201.db2.gz CKMOUSYMTNTKEY-SFHVURJKSA-N 2 0 310.445 2.582 20 0 DFADRP COc1ccc(OC)c(CCC[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000358366944 148342971 /nfs/dbraw/zinc/34/29/71/148342971.db2.gz LJNCNAURCIFYFW-IRXDYDNUSA-N 2 0 318.461 2.853 20 0 DFADRP C[C@@H]1C[N@H+](C)C[C@@H]1N[C@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000358407087 148349340 /nfs/dbraw/zinc/34/93/40/148349340.db2.gz QZESPTRKSMUWHH-NEPXVJNWSA-N 2 0 301.478 2.579 20 0 DFADRP C[C@@H](C(=O)Nc1ccc(Cl)cc1)[N@@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000358503824 148380557 /nfs/dbraw/zinc/38/05/57/148380557.db2.gz GUMOALKFGUAGBY-ZDUSSCGKSA-N 2 0 321.852 2.743 20 0 DFADRP Cc1cc(C)cc([C@H](C)[NH2+]CCC[N@@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000361173124 149046042 /nfs/dbraw/zinc/04/60/42/149046042.db2.gz AVSNHEQSLUZTDZ-DLBZAZTESA-N 2 0 317.477 2.541 20 0 DFADRP C[C@H]([NH2+]CCC[N@@H+]1CCC[C@@H](C(N)=O)C1)c1cccc(Cl)c1 ZINC000361183159 149049532 /nfs/dbraw/zinc/04/95/32/149049532.db2.gz OZHCAHPXFRGHRW-DZGCQCFKSA-N 2 0 323.868 2.578 20 0 DFADRP CC(C)C[C@@H]([NH2+]C[C@@H](C)N1CC[NH+](C)CC1)c1ccccc1 ZINC000361184872 149050402 /nfs/dbraw/zinc/05/04/02/149050402.db2.gz YXRJKZJYWQNTDE-IEBWSBKVSA-N 2 0 303.494 2.999 20 0 DFADRP C[C@H]1C[N@H+](C)C[C@H]1c1nc(-c2ccc(F)c(C[NH+](C)C)c2)no1 ZINC000361259986 149069031 /nfs/dbraw/zinc/06/90/31/149069031.db2.gz FFFXGPIHMJWJTH-SMDDNHRTSA-N 2 0 318.396 2.602 20 0 DFADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]C[C@](C)(O)[C@H](C)CC)[C@@H](C)C1 ZINC000361398622 149105944 /nfs/dbraw/zinc/10/59/44/149105944.db2.gz ABJBKYGPCFBIJD-MHORFTMASA-N 2 0 314.514 2.510 20 0 DFADRP C[C@@H]1C[N@H+](C)CC[C@H]1NC[C@H]1CCC[NH+]1Cc1ccccc1 ZINC000361482700 149126426 /nfs/dbraw/zinc/12/64/26/149126426.db2.gz YNMRYZJUIQADCK-BHIYHBOVSA-N 2 0 301.478 2.581 20 0 DFADRP C[N@@H+]1CCC[C@@H]1CC[NH+]1CCC[C@](CO)(Cc2ccccc2)C1 ZINC000361596585 149162839 /nfs/dbraw/zinc/16/28/39/149162839.db2.gz UCLPKOITFKYKCG-UXHICEINSA-N 2 0 316.489 2.788 20 0 DFADRP C[C@H]1C[N@H+](C)CC[C@H]1[NH2+]CCNc1ncc(Cl)cc1Cl ZINC000361876596 149243599 /nfs/dbraw/zinc/24/35/99/149243599.db2.gz FSGVGMCQEUXAHH-GXFFZTMASA-N 2 0 317.264 2.730 20 0 DFADRP C[C@H]([NH2+]CC1(O)CC[NH+](C)CC1)c1cc2c(s1)CCCC2 ZINC000361877301 149243747 /nfs/dbraw/zinc/24/37/47/149243747.db2.gz LXHXCTSYYSRUGY-ZDUSSCGKSA-N 2 0 308.491 2.734 20 0 DFADRP C[C@H]([NH2+]CC1(O)CC[NH+](C)CC1)c1ccc(F)c(Cl)c1 ZINC000361881793 149244837 /nfs/dbraw/zinc/24/48/37/149244837.db2.gz WSXRSSVCBAYFIF-NSHDSACASA-N 2 0 300.805 2.586 20 0 DFADRP [NH3+]Cc1cc(NC(=O)C2(C[NH3+])CCCC2)cc(C(F)(F)F)c1 ZINC000362574961 149312691 /nfs/dbraw/zinc/31/26/91/149312691.db2.gz IIKJVSIQWNIGNQ-UHFFFAOYSA-N 2 0 315.339 2.622 20 0 DFADRP C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)c1ccccc1C[NH+](C)C ZINC000362759738 149359743 /nfs/dbraw/zinc/35/97/43/149359743.db2.gz MWDLWXJEOJGGJI-IYBDPMFKSA-N 2 0 317.477 2.741 20 0 DFADRP Cc1cccc2ncc(CNc3ccncc3Br)n21 ZINC000362803200 149367575 /nfs/dbraw/zinc/36/75/75/149367575.db2.gz XUNZBPVYOYASNY-UHFFFAOYSA-N 2 0 317.190 2.834 20 0 DFADRP O=C(CC[C@H]1CC[NH2+]C1)NC1CC[NH+](CC2CCCCC2)CC1 ZINC000366932994 149516631 /nfs/dbraw/zinc/51/66/31/149516631.db2.gz PISNIDDXEDUUTD-INIZCTEOSA-N 2 0 321.509 2.537 20 0 DFADRP COc1ccc(-c2cnc(CN3C[C@@H]4CC[C@H]([NH3+])[C@@H]4C3)o2)cc1 ZINC000351494132 286135121 /nfs/dbraw/zinc/13/51/21/286135121.db2.gz NLQSHABKRDFJLR-IMJJTQAJSA-N 2 0 313.401 2.519 20 0 DFADRP Cc1ccnc(NC[C@H]2CC[NH+](CC[C@@H]3CCC[N@H+]3C)C2)c1 ZINC000371204548 150002110 /nfs/dbraw/zinc/00/21/10/150002110.db2.gz IFSJFZKVKJONMK-SJORKVTESA-N 2 0 302.466 2.608 20 0 DFADRP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@@H+]2CCSc1ccccc1 ZINC000371292455 150016964 /nfs/dbraw/zinc/01/69/64/150016964.db2.gz CAWJPZGEXNDNQI-NXHRZFHOSA-N 2 0 320.502 2.962 20 0 DFADRP COc1cc(C[N@@H+]2CC[C@@H](CNc3cc(C)cc[nH+]3)C2)ccn1 ZINC000371363035 150030431 /nfs/dbraw/zinc/03/04/31/150030431.db2.gz ZAGJIILZDLOVJZ-INIZCTEOSA-N 2 0 312.417 2.728 20 0 DFADRP C[C@H]([NH2+]CCN1CC[N@H+](C)C[C@@H]1c1ccccc1)c1ccncc1 ZINC000371391931 150037763 /nfs/dbraw/zinc/03/77/63/150037763.db2.gz IEFRLZBDIULYLE-FXAWDEMLSA-N 2 0 324.472 2.721 20 0 DFADRP C[NH+]1CCC(N2CC[C@@H]([NH2+][C@@H](c3ccccc3)C3CC3)C2)CC1 ZINC000371401522 150038522 /nfs/dbraw/zinc/03/85/22/150038522.db2.gz POIQXRPODXCEIG-QUCCMNQESA-N 2 0 313.489 2.896 20 0 DFADRP C[C@H](c1cccc(F)c1)[N@H+](C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000371425897 150044879 /nfs/dbraw/zinc/04/48/79/150044879.db2.gz VHWDRUTVIQPGJK-DNVCBOLYSA-N 2 0 319.468 2.987 20 0 DFADRP Cn1c2ccccc2nc1CCN1CCC2(CCC[N@@H+]2C)CC1 ZINC000371689821 150081090 /nfs/dbraw/zinc/08/10/90/150081090.db2.gz SKOKQJHDTKIWOX-UHFFFAOYSA-N 2 0 312.461 2.676 20 0 DFADRP CC[N@@H+]1CC[C@@H](C[NH2+][C@@H]2CCC(=O)Nc3ccc(F)cc32)C1 ZINC000371727770 150088008 /nfs/dbraw/zinc/08/80/08/150088008.db2.gz LSZQNDAYFOPQKH-SWLSCSKDSA-N 2 0 305.397 2.531 20 0 DFADRP CC[C@@H]1CCC[C@H](C[NH+]2CCN([C@@H]3CCC[N@H+](C)C3)CC2)C1 ZINC000371836338 150102771 /nfs/dbraw/zinc/10/27/71/150102771.db2.gz YNVUMHILKBXXGI-CEXWTWQISA-N 2 0 307.526 2.915 20 0 DFADRP CCCCNC(=[NH2+])NCC1CC[NH+](Cc2ccccc2F)CC1 ZINC000371878350 150107188 /nfs/dbraw/zinc/10/71/88/150107188.db2.gz LWUPUAISGTUURL-UHFFFAOYSA-N 2 0 320.456 2.952 20 0 DFADRP C[C@@H]1C[N@H+](C[C@H]2CCCO2)CC[C@@H]1[NH2+]CCCOC1CCCC1 ZINC000371978088 150120586 /nfs/dbraw/zinc/12/05/86/150120586.db2.gz IOJJPDGKTPSECY-QRQLOZEOSA-N 2 0 324.509 2.815 20 0 DFADRP CSC[C@H](O)C[N@H+](C)[C@H]1CCN(Cc2ccccc2)C[C@@H]1C ZINC000372303471 150160497 /nfs/dbraw/zinc/16/04/97/150160497.db2.gz XVEATERSRSGBRB-JQHSSLGASA-N 2 0 322.518 2.553 20 0 DFADRP CC[N@@H+]1CC[C@H]([NH2+][C@@H]2CCN(c3ccc(C)cc3)C2)[C@@H](C)C1 ZINC000372781930 150184462 /nfs/dbraw/zinc/18/44/62/150184462.db2.gz PMFCNRKJFFFFID-SCTDSRPQSA-N 2 0 301.478 2.894 20 0 DFADRP CSC[C@H](O)C[N@@H+]1CCC[C@H]([NH+](C)Cc2ccccc2)CC1 ZINC000372922631 150202742 /nfs/dbraw/zinc/20/27/42/150202742.db2.gz IZPBODNYYUMFEB-ZWKOTPCHSA-N 2 0 322.518 2.697 20 0 DFADRP CC[C@]1(C(=O)NCc2cccc(C[N@H+](C)C(C)C)c2)CC[NH2+]C1 ZINC000372981170 150211148 /nfs/dbraw/zinc/21/11/48/150211148.db2.gz WWYLZFBUMPPMFT-IBGZPJMESA-N 2 0 317.477 2.533 20 0 DFADRP CC(C)[C@H]1OCC[C@@H]1C[NH2+][C@@H]1CC[N@H+](C[C@@H]2CCCO2)C[C@H]1C ZINC000373206570 150246589 /nfs/dbraw/zinc/24/65/89/150246589.db2.gz NZCTULLHXOHXOO-UJWQCDCRSA-N 2 0 324.509 2.527 20 0 DFADRP C[NH+]1CCC2(CCC[N@H+](CCC(=O)Nc3ccccc3)C2)CC1 ZINC000374175996 150317755 /nfs/dbraw/zinc/31/77/55/150317755.db2.gz LPFCLPHOIYALDB-UHFFFAOYSA-N 2 0 315.461 2.823 20 0 DFADRP Cc1nccc(C[NH+]2CCC(CCC[NH+]3CCCC3)CC2)n1 ZINC000351684066 286192509 /nfs/dbraw/zinc/19/25/09/286192509.db2.gz DNZPHIKMNSEIKW-UHFFFAOYSA-N 2 0 302.466 2.873 20 0 DFADRP [NH3+]Cc1ccc2c(c1)CCCN2C(=O)C[C@@H]([NH3+])c1ccccc1 ZINC000378202028 150769410 /nfs/dbraw/zinc/76/94/10/150769410.db2.gz PKHWJJFFJHZXJD-QGZVFWFLSA-N 2 0 309.413 2.515 20 0 DFADRP C[C@H](F)CC[NH+]1CCC(CC[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000351886214 286237411 /nfs/dbraw/zinc/23/74/11/286237411.db2.gz CESJXVHHOGPYCI-JYJNAYRXSA-N 2 0 300.462 2.946 20 0 DFADRP C[C@@H](CCNC(=O)C1(C[NH+](C)C)CCCCC1)[NH+]1CCCCC1 ZINC000427472270 296658151 /nfs/dbraw/zinc/65/81/51/296658151.db2.gz PKOIHVWSADNBGH-KRWDZBQOSA-N 2 0 323.525 2.879 20 0 DFADRP CCC[C@H]([NH2+]C(C)C)C(=O)NCC(C)(C)[N@@H+]1CCC[C@H](C)C1 ZINC000352156353 286307316 /nfs/dbraw/zinc/30/73/16/286307316.db2.gz JIZGCWPWYQQXQQ-HOTGVXAUSA-N 2 0 311.514 2.780 20 0 DFADRP Cn1nccc1-c1ccccc1C[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000352142241 286302907 /nfs/dbraw/zinc/30/29/07/286302907.db2.gz IMQMBXWKRSPDCV-DLBZAZTESA-N 2 0 310.445 2.804 20 0 DFADRP CCC[C@H]([NH2+]C(C)C)C(=O)NCCCC[NH+]1CCC(C)CC1 ZINC000352157093 286307788 /nfs/dbraw/zinc/30/77/88/286307788.db2.gz RMDJHVSKFODWDL-KRWDZBQOSA-N 2 0 311.514 2.781 20 0 DFADRP CCC[C@@H]([NH2+]C(C)C)C(=O)NC[C@@H](c1ccc(C)cc1)[NH+](C)C ZINC000352172848 286311670 /nfs/dbraw/zinc/31/16/70/286311670.db2.gz XJXCLTSOODJVJO-MSOLQXFVSA-N 2 0 319.493 2.881 20 0 DFADRP COCc1cccc(C[NH+]2CCN(c3cc(C)ccn3)CC2)c1 ZINC000352319255 286343278 /nfs/dbraw/zinc/34/32/78/286343278.db2.gz HSMSXYJXVFEVHW-UHFFFAOYSA-N 2 0 311.429 2.859 20 0 DFADRP [NH3+]CCC[N@H+](CCC(=O)Nc1cccc(F)c1)CC1CCCC1 ZINC000352519276 286395914 /nfs/dbraw/zinc/39/59/14/286395914.db2.gz NETXUCPKGNCCEN-UHFFFAOYSA-N 2 0 321.440 2.995 20 0 DFADRP Cn1c2ccc(C[NH2+][C@H](CC[NH+](C)C)C(C)(C)C)cc2oc1=O ZINC000352528187 286398805 /nfs/dbraw/zinc/39/88/05/286398805.db2.gz KOJNDZSJEIWQLE-MRXNPFEDSA-N 2 0 319.449 2.588 20 0 DFADRP Cn1cc([C@H]([NH2+]CCCC[NH+](C)C)c2cccc(F)c2)cn1 ZINC000352557090 286406758 /nfs/dbraw/zinc/40/67/58/286406758.db2.gz JHTZSBQKWGMETH-QGZVFWFLSA-N 2 0 304.413 2.580 20 0 DFADRP CCO[C@H]1C[C@@H]([NH2+]CCC2CC[NH+](CC)CC2)C12CCOCC2 ZINC000186360548 286491540 /nfs/dbraw/zinc/49/15/40/286491540.db2.gz RQIBPYYAQNEYMD-MSOLQXFVSA-N 2 0 324.509 2.672 20 0 DFADRP Cn1nccc1-c1ccccc1C[NH2+]CC1(C)CC[NH+](C)CC1 ZINC000352861469 286487263 /nfs/dbraw/zinc/48/72/63/286487263.db2.gz KDIFBSLTGFISIM-UHFFFAOYSA-N 2 0 312.461 2.909 20 0 DFADRP COc1ccsc1C[NH+]1CCC(CC[NH+]2CCOCC2)CC1 ZINC000352886536 286493904 /nfs/dbraw/zinc/49/39/04/286493904.db2.gz QCPYNPIJKVDQLV-UHFFFAOYSA-N 2 0 324.490 2.691 20 0 DFADRP CCOC1CC(CC[NH2+]Cc2cn(-c3cc[nH+]cc3)nc2C)C1 ZINC000353180355 286572257 /nfs/dbraw/zinc/57/22/57/286572257.db2.gz HLKBUFDTXVOVAI-UHFFFAOYSA-N 2 0 314.433 2.871 20 0 DFADRP C[C@H]([NH3+])c1ccc(CNC(=O)[C@@H](C)[C@H]([NH3+])c2ccccc2)cc1 ZINC000429512568 296747489 /nfs/dbraw/zinc/74/74/89/296747489.db2.gz ZGNNNIHJZQEBDC-DEYYWGMASA-N 2 0 311.429 2.659 20 0 DFADRP CC[C@H]1[NH2+]CC[C@@H]1C(=O)NCc1ccc(C[NH+](CC)CC)cc1 ZINC000353462068 286653268 /nfs/dbraw/zinc/65/32/68/286653268.db2.gz BUTDHUIABIOXBU-ZWKOTPCHSA-N 2 0 317.477 2.533 20 0 DFADRP CCOC(=O)[C@H](CC(C)C)[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000182063109 158000782 /nfs/dbraw/zinc/00/07/82/158000782.db2.gz QNRKLPBYLZIRLI-KRWDZBQOSA-N 2 0 310.482 2.772 20 0 DFADRP COCCC[NH+]1CCC([NH2+][C@H]2C[C@@H](OC(C)C)C2(C)C)CC1 ZINC000185214199 158048764 /nfs/dbraw/zinc/04/87/64/158048764.db2.gz BCCJDMYXTWJFAS-DLBZAZTESA-N 2 0 312.498 2.669 20 0 DFADRP COCCCOc1cccc(C[NH2+][C@@H]2C[C@@H](C)[N@H+](C)C[C@@H]2C)c1 ZINC000246436597 158091429 /nfs/dbraw/zinc/09/14/29/158091429.db2.gz OFWMLPAHEWCJLQ-FRQCXROJSA-N 2 0 320.477 2.920 20 0 DFADRP C[C@@H](c1ccc(-n2cncn2)cc1)[N@H+](C)CC[C@H]1CCC[NH+]1C ZINC000246566112 158095015 /nfs/dbraw/zinc/09/50/15/158095015.db2.gz AXWUEFVYPVULAQ-DOTOQJQBSA-N 2 0 313.449 2.744 20 0 DFADRP CC[N@@H+]1CC[C@H]([NH2+][C@H]2CCCN(Cc3ccccc3)C2)[C@@H](C)C1 ZINC000246970006 158110082 /nfs/dbraw/zinc/11/00/82/158110082.db2.gz JAVDBZNPWXAVIW-IHPCNDPISA-N 2 0 315.505 2.971 20 0 DFADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@@H](C)Oc2ccccc2OC)[C@@H](C)C1 ZINC000247037593 158115360 /nfs/dbraw/zinc/11/53/60/158115360.db2.gz LPHKUJVRBUQDGI-XHSDSOJGSA-N 2 0 306.450 2.782 20 0 DFADRP CC[N@@H+]1CC[C@@H](C[NH2+][C@H](C)c2ccc(OCCOC)cc2)C1 ZINC000247060545 158117241 /nfs/dbraw/zinc/11/72/41/158117241.db2.gz NTSFWCVSBZYTRF-CVEARBPZSA-N 2 0 306.450 2.704 20 0 DFADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CCN(c3ccc(F)cc3)C2)[C@@H](C)C1 ZINC000247180234 158122094 /nfs/dbraw/zinc/12/20/94/158122094.db2.gz VCEKSQYOAKTGFP-BXWFABGCSA-N 2 0 319.468 2.972 20 0 DFADRP CCCCc1noc([C@H](C)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)n1 ZINC000247944563 158153745 /nfs/dbraw/zinc/15/37/45/158153745.db2.gz DKOPZVMUKWPUNI-SOUVJXGZSA-N 2 0 306.454 2.889 20 0 DFADRP CC1(C[NH2+][C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)COC1 ZINC000248391067 158170102 /nfs/dbraw/zinc/17/01/02/158170102.db2.gz BXRDSAIHPOVZNF-IPMKNSEASA-N 2 0 314.473 2.913 20 0 DFADRP C[C@H](Cc1ccccc1)C[N@@H+](C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000248601436 158188398 /nfs/dbraw/zinc/18/83/98/158188398.db2.gz VFQKRSMJBQNYQY-MSOLQXFVSA-N 2 0 318.505 2.890 20 0 DFADRP CCOc1cccc(CN2CC[C@H]([NH3+])[C@H](C)C2)c1OC(F)F ZINC000347138795 158226310 /nfs/dbraw/zinc/22/63/10/158226310.db2.gz VAYJGJZXGLQJNG-YPMHNXCESA-N 2 0 314.376 2.856 20 0 DFADRP Cc1ccc(C)c(C[N@@H+]2CCN(C3CC[NH+](C)CC3)[C@@H](C)C2)c1 ZINC000355061712 158264318 /nfs/dbraw/zinc/26/43/18/158264318.db2.gz GOCKKVZUYVTKBY-SFHVURJKSA-N 2 0 315.505 2.904 20 0 DFADRP C[C@@H](c1ccc(F)cc1)[N@@H+]1CCN(C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000355072343 158267594 /nfs/dbraw/zinc/26/75/94/158267594.db2.gz RLUUREFUDQDOTB-HOTGVXAUSA-N 2 0 319.468 2.987 20 0 DFADRP [NH3+]CCOCC[NH+]1CCC(c2nc3cc(Cl)ccc3o2)CC1 ZINC000357082965 158362810 /nfs/dbraw/zinc/36/28/10/158362810.db2.gz IANMADLYWAUSTF-UHFFFAOYSA-N 2 0 323.824 2.636 20 0 DFADRP c1csc(-c2nc(C[N@@H+]3CCC4(C3)CC[NH2+]CC4)co2)c1 ZINC000358505534 158383336 /nfs/dbraw/zinc/38/33/36/158383336.db2.gz JFHOUHZQOVICIR-UHFFFAOYSA-N 2 0 303.431 2.979 20 0 DFADRP CC[NH+](CC)[C@@H](C(=O)N1CCC[C@H]([NH+](C)C)C1)c1ccccc1 ZINC000358557598 158389456 /nfs/dbraw/zinc/38/94/56/158389456.db2.gz FFZJREOURMLOJH-ZWKOTPCHSA-N 2 0 317.477 2.622 20 0 DFADRP CC[NH+](CC)CC1CCN(C(=O)[C@H]2CCCCCC[C@H]2[NH3+])CC1 ZINC000430673667 296804128 /nfs/dbraw/zinc/80/41/28/296804128.db2.gz FHTHNNQJNQCRIG-ZWKOTPCHSA-N 2 0 323.525 2.865 20 0 DFADRP C[C@@H]([NH3+])C1CC[NH+](CC(=O)Nc2ccccc2C(C)(C)C)CC1 ZINC000430925816 296812396 /nfs/dbraw/zinc/81/23/96/296812396.db2.gz MPOAMFQIFZDNAA-CQSZACIVSA-N 2 0 317.477 2.982 20 0 DFADRP C[C@H]([NH3+])C1CC[NH+](Cc2nn(-c3ccccc3)c3c2CCC3)CC1 ZINC000430921066 296812171 /nfs/dbraw/zinc/81/21/71/296812171.db2.gz RMYADJIZSLMETJ-HNNXBMFYSA-N 2 0 324.472 2.920 20 0 DFADRP C[C@@H]([NH3+])C1CC[NH+]([C@@H](C)c2nc(-c3ccccc3)no2)CC1 ZINC000430962788 296815871 /nfs/dbraw/zinc/81/58/71/296815871.db2.gz HUXYYCOYZZVITQ-OLZOCXBDSA-N 2 0 300.406 2.857 20 0 DFADRP Cn1cc(C[NH+]2CCC3(CC[NH2+]C3)CC2)c(-c2cccs2)n1 ZINC000430958906 296815332 /nfs/dbraw/zinc/81/53/32/296815332.db2.gz ZVQWHAJTMXXYPO-UHFFFAOYSA-N 2 0 316.474 2.724 20 0 DFADRP Fc1ccc(OCC[NH+]2CCC3(CC[NH2+]C3)CC2)c(Cl)c1 ZINC000431028358 296818323 /nfs/dbraw/zinc/81/83/23/296818323.db2.gz PMZSBBKUSYCELX-UHFFFAOYSA-N 2 0 312.816 2.933 20 0 DFADRP Cc1ccc(NC(=O)[C@@H](C)[NH+]2CCC3(CC[NH2+]C3)CC2)cc1F ZINC000431017107 296818161 /nfs/dbraw/zinc/81/81/61/296818161.db2.gz MRRIEWVIGJJFJH-CQSZACIVSA-N 2 0 319.424 2.537 20 0 DFADRP Cc1ccc(NC(=O)[C@H](C)[NH+]2CCC3(CC[NH2+]C3)CC2)c(C)c1 ZINC000431037255 296819157 /nfs/dbraw/zinc/81/91/57/296819157.db2.gz JAGHGUSGZYGKJA-INIZCTEOSA-N 2 0 315.461 2.706 20 0 DFADRP C[N@H+](Cc1ccccc1)CC(C)(C)C[NH+]1CCC[C@@](C)(O)C1 ZINC000129518961 196054428 /nfs/dbraw/zinc/05/44/28/196054428.db2.gz HHHRPXIJLDNUBG-LJQANCHMSA-N 2 0 304.478 2.991 20 0 DFADRP COc1ccccc1O[C@H](C)C[NH2+][C@H]1C[C@H](C)[N@H+](C)C[C@H]1C ZINC000129584197 196059969 /nfs/dbraw/zinc/05/99/69/196059969.db2.gz FYIPUUHHMYPZEL-QXSJWSMHSA-N 2 0 306.450 2.781 20 0 DFADRP C[NH+]1CCN(c2ccc(C[NH2+][C@@H]3CCc4ccccc43)cn2)CC1 ZINC000130464182 196085316 /nfs/dbraw/zinc/08/53/16/196085316.db2.gz RYABVGFJDUYABR-LJQANCHMSA-N 2 0 322.456 2.611 20 0 DFADRP C[C@H](C[NH2+][C@H](C)c1cccc(OCC[NH+](C)C)c1)N(C)C1CC1 ZINC000130875855 196118901 /nfs/dbraw/zinc/11/89/01/196118901.db2.gz ZFTVOFNEDCBLPB-HZPDHXFCSA-N 2 0 319.493 2.760 20 0 DFADRP CC[NH+](CC)Cc1cccc(CNC(=O)C[N@H+](CC)C2CC2)c1 ZINC000131231296 196152288 /nfs/dbraw/zinc/15/22/88/196152288.db2.gz PCROAGXMPJFZOX-UHFFFAOYSA-N 2 0 317.477 2.629 20 0 DFADRP [NH3+]Cc1ccc(NC(=O)[C@@H]2CCC[N@@H+]2Cc2ccccc2)cc1 ZINC000131437271 196168687 /nfs/dbraw/zinc/16/86/87/196168687.db2.gz PMIUIFBBMLPLRW-SFHVURJKSA-N 2 0 309.413 2.748 20 0 DFADRP CCC[C@@H](C(=O)N(CC)Cc1ccc(C[NH+](C)C)cc1)[NH+](C)C ZINC000131589851 196182344 /nfs/dbraw/zinc/18/23/44/196182344.db2.gz RJAKIHGMIFZCBV-SFHVURJKSA-N 2 0 319.493 2.827 20 0 DFADRP CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)[C@H](C(C)C)[NH+](C)C ZINC000131596719 196182427 /nfs/dbraw/zinc/18/24/27/196182427.db2.gz KIHQZDAXGCJRCU-SFHVURJKSA-N 2 0 319.493 2.683 20 0 DFADRP C[NH+](C)C1CCN(CC[NH2+][C@@H]2CC[C@H](c3ccccc3)C2)CC1 ZINC000131987792 196216009 /nfs/dbraw/zinc/21/60/09/196216009.db2.gz LXKXJOHYKFFYIR-RBUKOAKNSA-N 2 0 315.505 2.938 20 0 DFADRP Cc1csc(N2CCC([NH2+]CC(C)(C)C[NH+](C)C)CC2)n1 ZINC000132116968 196227600 /nfs/dbraw/zinc/22/76/00/196227600.db2.gz UBGXTJGINKUHTR-UHFFFAOYSA-N 2 0 310.511 2.598 20 0 DFADRP Cc1ccc([C@@H](C)[NH2+]C[C@H](C(C)C)N2CC[NH+](C)CC2)cc1 ZINC000132321038 196245409 /nfs/dbraw/zinc/24/54/09/196245409.db2.gz RGNBBTUSZHZZEA-IEBWSBKVSA-N 2 0 303.494 2.918 20 0 DFADRP COc1cccc([C@@H](C)[NH2+]C[C@H](C(C)C)N2CC[NH+](C)CC2)c1 ZINC000132331019 196245922 /nfs/dbraw/zinc/24/59/22/196245922.db2.gz OBIIVYYNRRLVKT-VQIMIIECSA-N 2 0 319.493 2.618 20 0 DFADRP CC[NH+]1CCN(C[C@H](C)C[NH2+]C[C@@H](C)Cc2ccccc2)CC1 ZINC000133886737 196342534 /nfs/dbraw/zinc/34/25/34/196342534.db2.gz QDMBELLPEDPEQT-RBUKOAKNSA-N 2 0 317.521 2.728 20 0 DFADRP C[C@@H]1C[C@@H]1c1ccc(C[NH+]2CCC(C[NH+]3CCOCC3)CC2)o1 ZINC000134106683 196361859 /nfs/dbraw/zinc/36/18/59/196361859.db2.gz NHSZBFKXMUOJKX-QAPCUYQASA-N 2 0 318.461 2.947 20 0 DFADRP CCCC[N@H+](C)CC1CC[NH+](Cc2cnc3cnccn23)CC1 ZINC000134154205 196366352 /nfs/dbraw/zinc/36/63/52/196366352.db2.gz PNHNHUNRWQAUER-UHFFFAOYSA-N 2 0 315.465 2.673 20 0 DFADRP CCCOc1ccc(CN2CCC([N@H+](C)CCO)CC2)c(C)c1 ZINC000667611429 543641002 /nfs/dbraw/zinc/64/10/02/543641002.db2.gz OASWDJWJHFQMJQ-UHFFFAOYSA-N 2 0 320.477 2.672 20 0 DFADRP C[N@H+](CCCO)C1CCN(Cc2cc3ccncc3s2)CC1 ZINC000667637102 543646999 /nfs/dbraw/zinc/64/69/99/543646999.db2.gz IBSPYWGYMKTXHV-UHFFFAOYSA-N 2 0 319.474 2.575 20 0 DFADRP CC(C)[NH+](CCC[NH2+]C[C@@H]1CCO[C@H]1c1nccn1C)C(C)C ZINC000667896084 543698833 /nfs/dbraw/zinc/69/88/33/543698833.db2.gz JFCPVOIYBIGIPS-DLBZAZTESA-N 2 0 322.497 2.596 20 0 DFADRP C[NH+](C)CCCC1CCN(C(=O)Nc2cccc(C[NH3+])c2)CC1 ZINC000667723912 543666809 /nfs/dbraw/zinc/66/68/09/543666809.db2.gz NMMRYEJOMNNYDV-UHFFFAOYSA-N 2 0 318.465 2.731 20 0 DFADRP [NH3+]Cc1cccc(NC(=O)NCCCCC[NH+]2CCCCC2)c1 ZINC000667727591 543668014 /nfs/dbraw/zinc/66/80/14/543668014.db2.gz CDHMXXPGOKUYNF-UHFFFAOYSA-N 2 0 318.465 2.923 20 0 DFADRP C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)Nc1cccc(C[NH3+])c1 ZINC000667731601 543668684 /nfs/dbraw/zinc/66/86/84/543668684.db2.gz YDGYTXMDERZRHF-QLFBSQMISA-N 2 0 318.465 2.633 20 0 DFADRP [NH3+]Cc1cccc(NC(=O)NCCC[NH+]2CCCCCC2)c1 ZINC000667732530 543669064 /nfs/dbraw/zinc/66/90/64/543669064.db2.gz LVRWHRWQNZYRTF-UHFFFAOYSA-N 2 0 304.438 2.533 20 0 DFADRP C[NH+](C)C[C@H](NC(=O)Nc1cccc(C[NH3+])c1)c1ccccc1 ZINC000667732850 543669078 /nfs/dbraw/zinc/66/90/78/543669078.db2.gz UPTPUKJFZBYBOR-KRWDZBQOSA-N 2 0 312.417 2.570 20 0 DFADRP CN(Cc1cc(F)ccc1OC(F)F)C[C@@H]1CC[N@H+](C)C1 ZINC000668020491 543725040 /nfs/dbraw/zinc/72/50/40/543725040.db2.gz MWKTTYFVPIWPNK-LLVKDONJSA-N 2 0 302.340 2.811 20 0 DFADRP c1nc2n(c1C[N@@H+]1CC3(CCC3)[C@@H]1C1CCOCC1)CCC2 ZINC000668251809 543777904 /nfs/dbraw/zinc/77/79/04/543777904.db2.gz KUYHXADHTXNDIN-KRWDZBQOSA-N 2 0 301.434 2.610 20 0 DFADRP O=c1ccc2c([nH]1)CCC[C@H]2[NH2+]Cc1ccnn1-c1cc[nH+]cc1 ZINC000668155197 543751992 /nfs/dbraw/zinc/75/19/92/543751992.db2.gz HJHHBRIKBXLMED-MRXNPFEDSA-N 2 0 321.384 2.535 20 0 DFADRP Cc1ccc2cc(C[N@H+](C)CCCN3CC[NH+](C)CC3)[nH]c2c1 ZINC000668162827 543755081 /nfs/dbraw/zinc/75/50/81/543755081.db2.gz JOYYPIUAXXHONX-UHFFFAOYSA-N 2 0 314.477 2.546 20 0 DFADRP CC1=CC[C@@H]([NH2+]Cc2ccc(C[N@@H+]3CC[C@@H](O)C3)cc2)CC1 ZINC000668488605 543814026 /nfs/dbraw/zinc/81/40/26/543814026.db2.gz CWEAMHVBNSTGGX-RTBURBONSA-N 2 0 300.446 2.842 20 0 DFADRP C[C@@H](CN(C)CCC[NH+](C)C)[NH2+][C@H]1CS[C@@H](C(C)(C)C)C1 ZINC000668474648 543812320 /nfs/dbraw/zinc/81/23/20/543812320.db2.gz DLGKLKHLWGHLHV-ARFHVFGLSA-N 2 0 315.571 2.768 20 0 DFADRP C[NH+](C)CCC[C@@H]1C[N@H+](C[C@@H]2C[C@@H]2c2ccccc2)CCO1 ZINC000668785856 543867541 /nfs/dbraw/zinc/86/75/41/543867541.db2.gz ZIGLXGSDYJAWQA-IPMKNSEASA-N 2 0 302.462 2.833 20 0 DFADRP C[C@H]1C[C@@H]([NH2+]CC2CCN(c3cc[nH+]cc3)CC2)c2nccn21 ZINC000296670292 226107287 /nfs/dbraw/zinc/10/72/87/226107287.db2.gz FVKVQRBMPCWJLP-WMLDXEAASA-N 2 0 311.433 2.790 20 0 DFADRP [NH3+][C@H](C(=O)NCC1([NH3+])CCCCCC1)c1cccc(Cl)c1 ZINC000669509067 543958398 /nfs/dbraw/zinc/95/83/98/543958398.db2.gz JUSHUPNZZBAJCG-AWEZNQCLSA-N 2 0 309.841 2.508 20 0 DFADRP Cc1ccc(C[N@@H+](CCCN2CC[NH+](C(C)C)CC2)C2CC2)o1 ZINC000669688443 543983831 /nfs/dbraw/zinc/98/38/31/543983831.db2.gz QQMQDGJAFUDKQN-UHFFFAOYSA-N 2 0 319.493 2.969 20 0 DFADRP C[C@@H](C[NH2+]CCCN1CCN(c2cc[nH+]cc2)CC1)C(C)(C)C ZINC000670266955 544031452 /nfs/dbraw/zinc/03/14/52/544031452.db2.gz JNQBPVLRCBNFLY-KRWDZBQOSA-N 2 0 318.509 2.866 20 0 DFADRP C[N@@H+]1CCCN(CCC[NH2+]Cc2ccc3occc3c2)CC1 ZINC000671708295 544099890 /nfs/dbraw/zinc/09/98/90/544099890.db2.gz CWZDIWIKPNCWHJ-UHFFFAOYSA-N 2 0 301.434 2.550 20 0 DFADRP CCCN1CCC[C@H]1C[NH2+]Cc1ccc(OCC[NH+](C)C)cc1 ZINC000671730463 544103750 /nfs/dbraw/zinc/10/37/50/544103750.db2.gz VNIDUTFBYORABV-SFHVURJKSA-N 2 0 319.493 2.591 20 0 DFADRP COc1ccccc1OCCC[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@H]21 ZINC000671746244 544106000 /nfs/dbraw/zinc/10/60/00/544106000.db2.gz ZFLKIUKIOBVMLJ-BBWFWOEESA-N 2 0 318.461 2.927 20 0 DFADRP CC(=O)N1CC[C@@H]([NH2+]C2CCC([NH+](C)C)CC2)c2ccccc21 ZINC000671754249 544107278 /nfs/dbraw/zinc/10/72/78/544107278.db2.gz MMKIJPCAHRWAPD-LEOMRAHMSA-N 2 0 315.461 2.947 20 0 DFADRP C[C@@H]([NH2+][C@H](CN(C)C)c1ccc(F)cc1)C1CC[NH+](C)CC1 ZINC000672616763 544143477 /nfs/dbraw/zinc/14/34/77/544143477.db2.gz QKZYNQKFJFKKQO-RDTXWAMCSA-N 2 0 307.457 2.748 20 0 DFADRP c1ccc2c(c1)[nH+]ccc2N1CC[NH+](CCc2ccncc2)CC1 ZINC000297357006 227059207 /nfs/dbraw/zinc/05/92/07/227059207.db2.gz FNSOBPOYRTZRNE-UHFFFAOYSA-N 2 0 318.424 2.995 20 0 DFADRP CC[NH+](CC)CCC[C@@H](C)[NH2+]Cc1cc(C(=O)OC)c(C)n1C ZINC000291174991 222194893 /nfs/dbraw/zinc/19/48/93/222194893.db2.gz KDNOGUMMEYHEOT-CQSZACIVSA-N 2 0 323.481 2.720 20 0 DFADRP CC[N@@H+]1CC[C@@H](N(C)Cc2cn3cccc(C)c3n2)[C@H](C)C1 ZINC000674306013 544230649 /nfs/dbraw/zinc/23/06/49/544230649.db2.gz YOBRNSAWMKUYRS-NVXWUHKLSA-N 2 0 300.450 2.805 20 0 DFADRP CC[C@H]1C[N@@H+]2CCCC[C@@H]2CN1C(=O)C1CC[NH+](C(C)C)CC1 ZINC000674365114 544235731 /nfs/dbraw/zinc/23/57/31/544235731.db2.gz HQAHSRMEFAALOT-ZWKOTPCHSA-N 2 0 321.509 2.582 20 0 DFADRP CCOc1cc(C[N@@H+]2CCC[C@@H]3C[NH+](C)CC[C@@H]32)ccc1O ZINC000297471609 227211149 /nfs/dbraw/zinc/21/11/49/227211149.db2.gz RFRXRIOKIWDQHY-CVEARBPZSA-N 2 0 304.434 2.707 20 0 DFADRP CCOc1ccc(C[NH+]2CCC(C[NH+]3CCCC3)CC2)nc1 ZINC000674864005 544271320 /nfs/dbraw/zinc/27/13/20/544271320.db2.gz WMFYGGDJRJONHR-UHFFFAOYSA-N 2 0 303.450 2.788 20 0 DFADRP CC(C)(C)OCCC[NH+]1CCC(CC[NH+]2CCOCC2)CC1 ZINC000674907243 544275747 /nfs/dbraw/zinc/27/57/47/544275747.db2.gz SQYBHYNSNMKQQU-UHFFFAOYSA-N 2 0 312.498 2.626 20 0 DFADRP C[C@@H]([NH2+][C@H](c1nccn1C)c1ccccc1)C1CC[NH+](C)CC1 ZINC000675739259 544332415 /nfs/dbraw/zinc/33/24/15/544332415.db2.gz SEXJJORJUPHBIB-QAPCUYQASA-N 2 0 312.461 2.829 20 0 DFADRP C[NH+]1CCN(C(C)(C)C[NH2+][C@@H]2CCCOc3ccccc32)CC1 ZINC000675742566 544332775 /nfs/dbraw/zinc/33/27/75/544332775.db2.gz SLGHFTMVGQJHPX-QGZVFWFLSA-N 2 0 317.477 2.516 20 0 DFADRP C[C@H]([NH2+]CC(C)(C)N1CC[NH+](C)CC1)C(C)(C)c1ccccc1 ZINC000675742240 544333086 /nfs/dbraw/zinc/33/30/86/544333086.db2.gz MHPXBRKUDOPTEJ-KRWDZBQOSA-N 2 0 317.521 2.968 20 0 DFADRP Cc1cc(C[NH2+][C@@H](C)c2ccc(OCC[NH+](C)C)cc2)[nH]n1 ZINC000675891833 544342450 /nfs/dbraw/zinc/34/24/50/544342450.db2.gz BKGDONZDHCRUMN-AWEZNQCLSA-N 2 0 302.422 2.509 20 0 DFADRP CC(=O)N1CC[C@H]([NH2+]C2CC[NH+](C3CCCCC3)CC2)[C@@H](C)C1 ZINC000675916226 544344287 /nfs/dbraw/zinc/34/42/87/544344287.db2.gz YOYALDMTSBPXIP-KXBFYZLASA-N 2 0 321.509 2.630 20 0 DFADRP CCO[C@@H]1CCC[N@H+](CC[C@H](C)[NH+]2CCC[C@H](OCC)C2)C1 ZINC000676252547 544366037 /nfs/dbraw/zinc/36/60/37/544366037.db2.gz QYFFKKKUKVTHQI-KSZLIROESA-N 2 0 312.498 2.767 20 0 DFADRP C[NH+](C)CCOc1ccc(C[N@H+](C)Cc2cccc(O)c2)cc1 ZINC000676414051 544375622 /nfs/dbraw/zinc/37/56/22/544375622.db2.gz KTRUAJREMISLKK-UHFFFAOYSA-N 2 0 314.429 2.965 20 0 DFADRP Cc1nc([C@@H](C)[NH2+][C@@H]2CCN(C3CC[NH+](C)CC3)C2)c(C)s1 ZINC000676489001 544379614 /nfs/dbraw/zinc/37/96/14/544379614.db2.gz GUSVFLPHEAMKQT-IUODEOHRSA-N 2 0 322.522 2.579 20 0 DFADRP Cn1ccnc1C[C@H]([NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccccc1 ZINC000677242022 544458240 /nfs/dbraw/zinc/45/82/40/544458240.db2.gz WGJLENHPYLXBTL-FHWLQOOXSA-N 2 0 324.472 2.920 20 0 DFADRP OC[C@@H]1CCC[N@@H+]1CCCC[NH2+]CCc1cccc(Cl)c1 ZINC000298481598 228571517 /nfs/dbraw/zinc/57/15/17/228571517.db2.gz PLUBDKLYMUAHEB-KRWDZBQOSA-N 2 0 310.869 2.709 20 0 DFADRP CC1CC[NH+](CCN2CC[NH+](CCc3cccs3)CC2)CC1 ZINC000493892845 299847248 /nfs/dbraw/zinc/84/72/48/299847248.db2.gz ZVYMOPZPAOUGQP-UHFFFAOYSA-N 2 0 321.534 2.640 20 0 DFADRP C[N@@H+]1CCC[C@@H]2C[NH+](C[C@H]3CCOc4ccccc43)CC[C@H]21 ZINC000678340892 544654529 /nfs/dbraw/zinc/65/45/29/544654529.db2.gz SDHFYAYQJXKSGW-JFIYKMOQSA-N 2 0 300.446 2.969 20 0 DFADRP C[C@@H]1C[C@@H]([NH2+]CCCc2nc3ccccc3n2C)CC[N@@H+]1C ZINC000678592352 544698636 /nfs/dbraw/zinc/69/86/36/544698636.db2.gz QNGMZLYEGQGVMB-CABCVRRESA-N 2 0 300.450 2.578 20 0 DFADRP C[C@@H]1CCc2ccccc2[C@@H]1[NH2+]CCN1CCC([NH+](C)C)CC1 ZINC000678771361 544718929 /nfs/dbraw/zinc/71/89/29/544718929.db2.gz RJWZLSQZFJISIF-OXQOHEQNSA-N 2 0 315.505 2.926 20 0 DFADRP CC[C@@H]([NH2+]CC(=O)NC1CC[NH+](C2CC2)CC1)C1CCCCC1 ZINC000678895042 544745628 /nfs/dbraw/zinc/74/56/28/544745628.db2.gz KNRIGIPWDSHFSA-GOSISDBHSA-N 2 0 321.509 2.678 20 0 DFADRP CCc1nc2ccccc2n1CC[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000679023748 544770229 /nfs/dbraw/zinc/77/02/29/544770229.db2.gz WLEIWOCENKTBFT-LSDHHAIUSA-N 2 0 300.450 2.671 20 0 DFADRP CCN1C[C@H]([NH2+][C@@H](C)c2cccc(OCC[NH+](C)C)c2)[C@@H](C)C1 ZINC000679074964 544779351 /nfs/dbraw/zinc/77/93/51/544779351.db2.gz FVYJFJJNGFSMLA-BXWFABGCSA-N 2 0 319.493 2.618 20 0 DFADRP CC[N@@H+]1C[C@H](C)[C@H](NC2CC[NH+]([C@H]3CCCC[C@@H]3C)CC2)C1 ZINC000679074232 544779614 /nfs/dbraw/zinc/77/96/14/544779614.db2.gz AFMSBZCFQZDTLH-DKKFBQAASA-N 2 0 307.526 2.959 20 0 DFADRP CC(C)(CO)C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000679398127 544849588 /nfs/dbraw/zinc/84/95/88/544849588.db2.gz HTUUGROONGHJSX-BCDXTJNWSA-N 2 0 302.462 2.790 20 0 DFADRP CC1(C)[C@H](O)C[C@H]1[NH2+]Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000679375397 544844658 /nfs/dbraw/zinc/84/46/58/544844658.db2.gz ZOOILHVOWDOXPF-QZTJIDSGSA-N 2 0 302.462 2.922 20 0 DFADRP C[NH+]1CCN(CCC[NH2+][C@@H](c2ccccc2)C2CCC2)CC1 ZINC000679420467 544852334 /nfs/dbraw/zinc/85/23/34/544852334.db2.gz LEVZGLFTQQOJLL-IBGZPJMESA-N 2 0 301.478 2.755 20 0 DFADRP Cc1cc(C)cc(OCC[NH+]2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000679435959 544852986 /nfs/dbraw/zinc/85/29/86/544852986.db2.gz RIGPRVRLNRGBQC-UHFFFAOYSA-N 2 0 311.429 2.899 20 0 DFADRP CC[NH+](CC)Cc1ccc(C(=O)NCC2(C)CC[NH+](C)CC2)o1 ZINC000679577596 544880046 /nfs/dbraw/zinc/88/00/46/544880046.db2.gz RQCCQSBHOACVNV-UHFFFAOYSA-N 2 0 321.465 2.583 20 0 DFADRP CC[NH+](CC)CCOc1ccc(C[NH2+]C2CSC2)cc1OC ZINC000679624523 544883925 /nfs/dbraw/zinc/88/39/25/544883925.db2.gz BJNDCSXRYPDLOX-UHFFFAOYSA-N 2 0 324.490 2.621 20 0 DFADRP C[C@H]([NH2+][C@@H]1CCC[C@@H](O)C1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000679624999 544884294 /nfs/dbraw/zinc/88/42/94/544884294.db2.gz NYKGMYNQNRDXGD-GDAAHCPNSA-N 2 0 302.462 2.790 20 0 DFADRP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)[NH2+]C2CSC2)CC1 ZINC000679625273 544884926 /nfs/dbraw/zinc/88/49/26/544884926.db2.gz FIJYVMDMLDOFPZ-CYBMUJFWSA-N 2 0 323.481 2.734 20 0 DFADRP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+]1CCCOC(C)(C)C1 ZINC000680328197 544990708 /nfs/dbraw/zinc/99/07/08/544990708.db2.gz AYCWFLOUHXHWGZ-UHFFFAOYSA-N 2 0 300.406 2.577 20 0 DFADRP Cc1nn(-c2cc[nH+]cc2)cc1CN1CC(C)(C)OCC1(C)C ZINC000680329307 544991263 /nfs/dbraw/zinc/99/12/63/544991263.db2.gz ORMDNOZCASGCHK-UHFFFAOYSA-N 2 0 314.433 2.965 20 0 DFADRP COc1c(C)cnc(C[NH+]2CCC(CC[NH+](C)C)CC2)c1C ZINC000067227165 425909067 /nfs/dbraw/zinc/90/90/67/425909067.db2.gz ZPPHPQHFKFTTBU-UHFFFAOYSA-N 2 0 305.466 2.871 20 0 DFADRP CC[NH+]1CCN([C@H](C)C[NH2+][C@@H]2CCc3c2cccc3C)CC1 ZINC000155586774 425921232 /nfs/dbraw/zinc/92/12/32/425921232.db2.gz PYFRMUCQJBCHBF-VQIMIIECSA-N 2 0 301.478 2.598 20 0 DFADRP CC[NH+]1CCN([C@@H](C)C[NH2+][C@H](C)c2cc(F)ccc2F)CC1 ZINC000155583750 425921521 /nfs/dbraw/zinc/92/15/21/425921521.db2.gz KTMGFRCQZUAKFO-UONOGXRCSA-N 2 0 311.420 2.641 20 0 DFADRP CC(C)C[N@@H+]1CCC[C@H](CNC(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC000124487010 425921669 /nfs/dbraw/zinc/92/16/69/425921669.db2.gz ARRADPMDIJOXLM-QZTJIDSGSA-N 2 0 323.525 2.735 20 0 DFADRP CC[NH+]1CCN([C@@H](C)C[NH2+][C@H](C)c2ccc(OC)cc2F)CC1 ZINC000155578674 425922102 /nfs/dbraw/zinc/92/21/02/425922102.db2.gz HHOCTJWDZYZDKL-LSDHHAIUSA-N 2 0 323.456 2.511 20 0 DFADRP CC[C@H]([NH2+]C[C@@H](C)N1CC[NH+](CC)CC1)c1ccc(OC)cc1 ZINC000155636664 425922529 /nfs/dbraw/zinc/92/25/29/425922529.db2.gz ARHHFJLIBMJQJF-APWZRJJASA-N 2 0 319.493 2.762 20 0 DFADRP C[C@H]([NH2+]CC1CC[NH+](CCN(C)C)CC1)c1cccc(F)c1 ZINC000124505409 425923543 /nfs/dbraw/zinc/92/35/43/425923543.db2.gz SQBFDOKYDMRMEM-HNNXBMFYSA-N 2 0 307.457 2.750 20 0 DFADRP CC1CC[NH+](CC(=O)Nc2ccc(C[NH+]3CCCC3)cc2)CC1 ZINC000102669027 425924835 /nfs/dbraw/zinc/92/48/35/425924835.db2.gz XVACETLTDMTHGU-UHFFFAOYSA-N 2 0 315.461 2.953 20 0 DFADRP CCc1cc(NCC2CC[NH+](CCO)CC2)c2ccccc2[nH+]1 ZINC000124734778 425935064 /nfs/dbraw/zinc/93/50/64/425935064.db2.gz FPFJKDFVOKFEBZ-UHFFFAOYSA-N 2 0 313.445 2.913 20 0 DFADRP C[C@@H](CCN1CC[NH+](C)CC1)[NH2+]Cc1csc(C(C)(C)C)n1 ZINC000185863320 267803069 /nfs/dbraw/zinc/80/30/69/267803069.db2.gz DMAWYXKLVDHYFT-AWEZNQCLSA-N 2 0 324.538 2.556 20 0 DFADRP CCC[NH+]1CCC([NH2+]C[C@]2(O)CCC[C@@H](C(F)(F)F)C2)CC1 ZINC000188633761 267907009 /nfs/dbraw/zinc/90/70/09/267907009.db2.gz HGIFGOBLFTYWHV-HIFRSBDPSA-N 2 0 322.415 2.934 20 0 DFADRP C[C@@H]1CC(C)(C)C[C@H]1[NH2+]Cc1ccnc(OCC[NH+](C)C)c1 ZINC000193144967 268060075 /nfs/dbraw/zinc/06/00/75/268060075.db2.gz IVGMUVXZTGDSNF-GDBMZVCRSA-N 2 0 305.466 2.936 20 0 DFADRP C[NH+](C)Cc1ccc(C[NH2+][C@H]2[C@H]3CCO[C@H]3C23CCC3)cc1 ZINC000193950139 268084813 /nfs/dbraw/zinc/08/48/13/268084813.db2.gz FZEAMWRSKSGLEX-FGTMMUONSA-N 2 0 300.446 2.795 20 0 DFADRP CC[NH+]1CCN([C@@H](C)C[NH2+]CC[C@@H](C)c2ccccc2)CC1 ZINC000194210607 268095589 /nfs/dbraw/zinc/09/55/89/268095589.db2.gz YIVCFOPOEXZMHJ-MSOLQXFVSA-N 2 0 303.494 2.796 20 0 DFADRP Cc1cc(CN2C[C@@H]3C[N@H+](C)C[C@@H]3C2)cc(C)c1OC(F)F ZINC000194541321 268106622 /nfs/dbraw/zinc/10/66/22/268106622.db2.gz BQSVUVPEEFBVGH-GASCZTMLSA-N 2 0 310.388 2.898 20 0 DFADRP C[C@H](CC[NH+](C)C)[NH2+]CC1CCN(C(=O)OC(C)(C)C)CC1 ZINC000226366361 268143628 /nfs/dbraw/zinc/14/36/28/268143628.db2.gz UDETVRDGJHSSLH-CQSZACIVSA-N 2 0 313.486 2.563 20 0 DFADRP CCCC[C@@H]([NH3+])C(=O)NCc1cccc(C[N@H+](C)C(C)C)c1 ZINC000236773238 268150149 /nfs/dbraw/zinc/15/01/49/268150149.db2.gz BIXIKNGONNDTPJ-QGZVFWFLSA-N 2 0 305.466 2.661 20 0 DFADRP CCCC[NH+]1CCC(NC(=O)[C@H]2CCCCCC[C@@H]2[NH3+])CC1 ZINC000236758399 268150280 /nfs/dbraw/zinc/15/02/80/268150280.db2.gz UITVZAULTHPFFV-IRXDYDNUSA-N 2 0 309.498 2.665 20 0 DFADRP CC(C)C[NH+]1CCC(NC(=O)[C@@H]2CCCCCC[C@H]2[NH3+])CC1 ZINC000236771668 268150334 /nfs/dbraw/zinc/15/03/34/268150334.db2.gz BPGNPUBLSDEHJK-IAGOWNOFSA-N 2 0 309.498 2.521 20 0 DFADRP C[NH2+]C[C@@H]1CCCN(C(=O)c2ccc(Nc3cc[nH+]cc3)cc2)C1 ZINC000237256444 268156087 /nfs/dbraw/zinc/15/60/87/268156087.db2.gz HHALELGCVXRVPP-HNNXBMFYSA-N 2 0 324.428 2.897 20 0 DFADRP [NH3+][C@@H]1CCC[C@H]1[NH2+]CCc1cc(Br)ccc1F ZINC000259189562 268168341 /nfs/dbraw/zinc/16/83/41/268168341.db2.gz WOBXNCKFZFOQPB-CHWSQXEVSA-N 2 0 301.203 2.600 20 0 DFADRP COc1ccc(Br)cc1C[NH2+]CC[C@H]1CC[NH2+]C1 ZINC000259042506 268168544 /nfs/dbraw/zinc/16/85/44/268168544.db2.gz PTSOATARUPXZPE-LLVKDONJSA-N 2 0 313.239 2.547 20 0 DFADRP Cc1nccn1CC[N@@H+]1CCCN(Cc2ccc(F)cc2)CC1 ZINC000270645166 268195540 /nfs/dbraw/zinc/19/55/40/268195540.db2.gz KIVBLZCHYLOOJC-UHFFFAOYSA-N 2 0 316.424 2.539 20 0 DFADRP C[C@@H]([NH2+]CCc1ccc(OCC[NH+](C)C)cc1)c1ccccn1 ZINC000270954916 268239812 /nfs/dbraw/zinc/23/98/12/268239812.db2.gz WDWNPKITHSOOHU-MRXNPFEDSA-N 2 0 313.445 2.915 20 0 DFADRP C[N@@H+]1CCC[C@@H]1CCN1C[C@@H](O)C[C@@H]1c1cc(F)ccc1F ZINC000270992255 268245227 /nfs/dbraw/zinc/24/52/27/268245227.db2.gz IKXMRFRDRKWFRP-JKIFEVAISA-N 2 0 310.388 2.557 20 0 DFADRP Cc1cccc(C[NH+]2CCC(C[NH+]3CCN(C)CC3)CC2)c1F ZINC000295919452 268297246 /nfs/dbraw/zinc/29/72/46/268297246.db2.gz DXGMNZBTWLCDEF-UHFFFAOYSA-N 2 0 319.468 2.594 20 0 DFADRP C[NH+]1CCC(C)(C[NH2+]CC(C)(C)NC(=O)OC(C)(C)C)CC1 ZINC000309852478 268335988 /nfs/dbraw/zinc/33/59/88/268335988.db2.gz JYKLODFFAAZHAO-UHFFFAOYSA-N 2 0 313.486 2.611 20 0 DFADRP CCC[NH+]1CCC([NH2+][C@H](C)[C@H](C)NC(=O)OC(C)(C)C)CC1 ZINC000309834703 268336193 /nfs/dbraw/zinc/33/61/93/268336193.db2.gz UDHWQCYTFAPAMZ-KGLIPLIRSA-N 2 0 313.486 2.752 20 0 DFADRP Cc1cc(OCCN2CCCO[C@H](C[NH3+])C2)ccc1C(C)C ZINC000313348281 268339762 /nfs/dbraw/zinc/33/97/62/268339762.db2.gz INLQINBBGZWJSU-QGZVFWFLSA-N 2 0 306.450 2.547 20 0 DFADRP C[NH+](C)CCCC[NH2+]Cc1cccc(O)c1Br ZINC000315783887 268343809 /nfs/dbraw/zinc/34/38/09/268343809.db2.gz XMWNOIDMJHCWQG-UHFFFAOYSA-N 2 0 301.228 2.586 20 0 DFADRP CC[C@H](C(=O)NC[C@@H](c1ccsc1)[NH+](CC)CC)[NH+](C)C ZINC000124790466 425938915 /nfs/dbraw/zinc/93/89/15/425938915.db2.gz MNWOXFUCLJDKOC-CABCVRRESA-N 2 0 311.495 2.587 20 0 DFADRP CC[NH+](CC)Cc1ccccc1C[NH2+][C@H](C)C(=O)NCC(C)C ZINC000071124197 425981511 /nfs/dbraw/zinc/98/15/11/425981511.db2.gz QOMQDHHPYZSBTM-MRXNPFEDSA-N 2 0 319.493 2.779 20 0 DFADRP CCC[NH+](CCC)CCCC(=O)NC1CC[NH+](C(C)C)CC1 ZINC000107342731 425990247 /nfs/dbraw/zinc/99/02/47/425990247.db2.gz PTNAWEGWTYETJT-UHFFFAOYSA-N 2 0 311.514 2.878 20 0 DFADRP CCc1noc(C2CCC([NH2+][C@@H]3CC[C@H]4C[NH2+]C[C@H]4C3)CC2)n1 ZINC000333849534 268420289 /nfs/dbraw/zinc/42/02/89/268420289.db2.gz PTQJHLLOBXNORP-JXLIZBIESA-N 2 0 318.465 2.636 20 0 DFADRP Cc1cnn(CCCCC[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C)C2)c1 ZINC000158832509 425948045 /nfs/dbraw/zinc/94/80/45/425948045.db2.gz OUPWMACZPLCEOV-MSOLQXFVSA-N 2 0 304.482 2.778 20 0 DFADRP c1cc(C[NH+]2CCSCC2)cc(C[NH+]2CCSCC2)c1 ZINC000103467379 425948527 /nfs/dbraw/zinc/94/85/27/425948527.db2.gz LPLBAANNIRKGLJ-UHFFFAOYSA-N 2 0 308.516 2.784 20 0 DFADRP CCCCNC(=O)[C@@H]1CC[C@H](C)[N@H+](CCC[NH+]2CCCCC2)C1 ZINC000125005338 425949809 /nfs/dbraw/zinc/94/98/09/425949809.db2.gz UGLVYIRWNYVDOH-ZWKOTPCHSA-N 2 0 323.525 2.879 20 0 DFADRP C[C@H]([N@H+](C)CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C)C1(C)CC1 ZINC000158867770 425950015 /nfs/dbraw/zinc/95/00/15/425950015.db2.gz LJYXDJTVCNMPSB-RDJZCZTQSA-N 2 0 317.477 2.526 20 0 DFADRP COc1cccc(O[C@H](C)C[NH2+][C@H]2C[C@H](C)[N@H+](C)C[C@H]2C)c1 ZINC000125095517 425953034 /nfs/dbraw/zinc/95/30/34/425953034.db2.gz QSQMYZLTHZCUTA-FSZRXZPDSA-N 2 0 306.450 2.781 20 0 DFADRP CCCNC(=O)[C@H](C)[NH+]1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000159048608 425953601 /nfs/dbraw/zinc/95/36/01/425953601.db2.gz BDNWULBNMGSZNC-IRXDYDNUSA-N 2 0 323.525 2.878 20 0 DFADRP C[C@@H]1CCC[C@H](C)C1[NH2+]Cc1ccnc(N2CC[NH+](C)CC2)c1 ZINC000159177742 425956821 /nfs/dbraw/zinc/95/68/21/425956821.db2.gz WANKKLHFHIUMKJ-MCPYQZEQSA-N 2 0 316.493 2.748 20 0 DFADRP COC[C@@H](C)[NH2+]CCCC[NH+]1CCN(c2cccc(C)c2)CC1 ZINC000125340040 425966246 /nfs/dbraw/zinc/96/62/46/425966246.db2.gz RDENGTMQKRYZSO-GOSISDBHSA-N 2 0 319.493 2.522 20 0 DFADRP C[C@@H]([NH3+])[C@@H]1CCC[N@H+](CCC(=O)Nc2ccccc2Cl)C1 ZINC000070174122 425969417 /nfs/dbraw/zinc/96/94/17/425969417.db2.gz GMBUBVOVNHVZNV-CHWSQXEVSA-N 2 0 309.841 2.728 20 0 DFADRP C[C@H]([NH2+]CC1CC[NH+](Cc2cccs2)CC1)[C@@H]1CCOC1 ZINC000125457304 425973160 /nfs/dbraw/zinc/97/31/60/425973160.db2.gz NXUSYHPXGNKQCF-GOEBONIOSA-N 2 0 308.491 2.975 20 0 DFADRP C[C@H]1C[C@@H]([NH2+][C@@H]2CCCN(c3cccc(F)c3)C2)CCN1C ZINC000125588132 425980198 /nfs/dbraw/zinc/98/01/98/425980198.db2.gz YCWQHKXCWDZYQX-BHYGNILZSA-N 2 0 305.441 2.867 20 0 DFADRP C[C@@H](CC(=O)OC(C)(C)C)[NH2+]Cc1ccc(C[NH+](C)C)cc1 ZINC000109075850 426027538 /nfs/dbraw/zinc/02/75/38/426027538.db2.gz RURGWFWJMGFQNX-AWEZNQCLSA-N 2 0 306.450 2.958 20 0 DFADRP CC[N@@H+]1CC[C@@H]([NH2+]CCCn2cnc3ccccc32)[C@H](C)C1 ZINC000161544690 426029106 /nfs/dbraw/zinc/02/91/06/426029106.db2.gz CVWASGWDYBWCLM-HZPDHXFCSA-N 2 0 300.450 2.746 20 0 DFADRP C[NH+](C)Cc1cccc(C[NH2+]C2CCC3(CC2)OCCO3)c1 ZINC000161775429 426038544 /nfs/dbraw/zinc/03/85/44/426038544.db2.gz ALXANXTUBHMJOL-UHFFFAOYSA-N 2 0 304.434 2.524 20 0 DFADRP Cc1cccc(C[NH2+][C@H]2CCN(Cc3ccccn3)C[C@@H]2C)n1 ZINC000127317835 426060090 /nfs/dbraw/zinc/06/00/90/426060090.db2.gz QZZCFFRNYWWITH-KXBFYZLASA-N 2 0 310.445 2.785 20 0 DFADRP CCN(CC)C(=O)c1ccc(C[NH2+][C@H]2CC[N@H+](C)C[C@@H]2C)cc1 ZINC000127395497 426065204 /nfs/dbraw/zinc/06/52/04/426065204.db2.gz VYGDGXPDULDDHS-YJBOKZPZSA-N 2 0 317.477 2.598 20 0 DFADRP C[C@H](C[NH2+][C@@H](C)c1cc2c(s1)CCCC2)N1CC[NH+](C)CC1 ZINC000127490453 426069514 /nfs/dbraw/zinc/06/95/14/426069514.db2.gz KNXQXZCLPXDSON-CABCVRRESA-N 2 0 321.534 2.913 20 0 DFADRP CC[C@@H]([NH2+]Cc1cccc(OCC[NH+](C)C)c1)[C@H]1CCOC1 ZINC000162581445 426069627 /nfs/dbraw/zinc/06/96/27/426069627.db2.gz RDUROMDMZXOFEO-FUHWJXTLSA-N 2 0 306.450 2.532 20 0 DFADRP CC[NH+](CC)C[C@H]1CC[N@H+](CCC(=O)Nc2ccccc2F)C1 ZINC000076001754 426093527 /nfs/dbraw/zinc/09/35/27/426093527.db2.gz VVLBLZQIXGCRGG-OAHLLOKOSA-N 2 0 321.440 2.818 20 0 DFADRP C[N@H+](CCOCC1CC1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000076110084 426099934 /nfs/dbraw/zinc/09/99/34/426099934.db2.gz ISCGRSFEXRQRDB-IBGZPJMESA-N 2 0 302.462 2.867 20 0 DFADRP CCc1ccc([C@H](C)[NH2+]CCC[N@@H+]2CCC[C@H](C(N)=O)C2)s1 ZINC000128207863 426106773 /nfs/dbraw/zinc/10/67/73/426106773.db2.gz IACURVPHXYZXBY-KBPBESRZSA-N 2 0 323.506 2.549 20 0 DFADRP CCOc1cccc(C[N@@H+]2CC[C@H](CNc3ccccn3)C2)n1 ZINC000128252569 426108499 /nfs/dbraw/zinc/10/84/99/426108499.db2.gz IAYFMXFZQJQFJL-OAHLLOKOSA-N 2 0 312.417 2.809 20 0 DFADRP CC(C)Oc1cccc([C@@H](O)C[NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)c1 ZINC000128266167 426110227 /nfs/dbraw/zinc/11/02/27/426110227.db2.gz SFKIFWLRPPXFCT-KYJSFNMBSA-N 2 0 306.450 2.580 20 0 DFADRP CC(C)(C)[C@H]([NH3+])C(=O)NC[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000164350229 426113407 /nfs/dbraw/zinc/11/34/07/426113407.db2.gz HFSHFXHYJVBMGF-DLBZAZTESA-N 2 0 317.477 2.531 20 0 DFADRP C[NH2+]C[C@H](C)C(=O)Nc1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000164575587 426115616 /nfs/dbraw/zinc/11/56/16/426115616.db2.gz AAWHNEWITDXDRP-GJZGRUSLSA-N 2 0 303.450 2.713 20 0 DFADRP C[N@H+](CCCF)CC1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000128529223 426121557 /nfs/dbraw/zinc/12/15/57/426121557.db2.gz ILBYYNYIPJNSAF-GOSISDBHSA-N 2 0 308.441 2.723 20 0 DFADRP CC[NH+]1CCN(CCC[NH2+][C@H]2CCCc3ccc(C)cc32)CC1 ZINC000166145656 426125656 /nfs/dbraw/zinc/12/56/56/426125656.db2.gz JJCJBXZNLSXWEG-FQEVSTJZSA-N 2 0 315.505 2.990 20 0 DFADRP Cc1ccc2c(c1)[C@H]([NH2+]C[C@H](C)CN1CC[NH+](C)CC1)CCC2 ZINC000166492547 426128780 /nfs/dbraw/zinc/12/87/80/426128780.db2.gz FUICLKAIMUCRDI-FXAWDEMLSA-N 2 0 315.505 2.846 20 0 DFADRP C[C@@H](C[NH2+][C@@H](C)c1cc2c(s1)CCC2)N1CC[NH+](C)CC1 ZINC000127575920 426073755 /nfs/dbraw/zinc/07/37/55/426073755.db2.gz FOFXBBXZVGSQNX-KBPBESRZSA-N 2 0 307.507 2.523 20 0 DFADRP FC(F)(F)COCCC[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000075835787 426086633 /nfs/dbraw/zinc/08/66/33/426086633.db2.gz TXRRVNVLSQOJMU-CQSZACIVSA-N 2 0 308.388 2.763 20 0 DFADRP CCC[N@H+](C)C[C@H]1CC[NH+](CCC(=O)N(C)c2ccccc2)C1 ZINC000135120385 426206790 /nfs/dbraw/zinc/20/67/90/426206790.db2.gz GIGWQZZOKYNPRQ-QGZVFWFLSA-N 2 0 317.477 2.703 20 0 DFADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1[NH2+]CCc1cnn(-c2ccccc2)c1 ZINC000130390543 426158246 /nfs/dbraw/zinc/15/82/46/426158246.db2.gz NCNNQFPUIAGKBY-JTDSTZFVSA-N 2 0 312.461 2.733 20 0 DFADRP Cn1cc(C[N@@H+]2CCCN(c3cc[nH+]c4ccccc43)CC2)cn1 ZINC000115517528 426166160 /nfs/dbraw/zinc/16/61/60/426166160.db2.gz FRWUWIYXWDXCGC-UHFFFAOYSA-N 2 0 321.428 2.681 20 0 DFADRP Cc1cccc(NC[C@@H]2CCN(Cc3nnc(C(C)C)o3)C2)[nH+]1 ZINC000171138987 426172157 /nfs/dbraw/zinc/17/21/57/426172157.db2.gz ANDOOAVXIXDUDH-AWEZNQCLSA-N 2 0 315.421 2.830 20 0 DFADRP C[C@@H]([NH2+]CCc1cccnc1)c1cccc(OCC[NH+](C)C)c1 ZINC000133482310 426179837 /nfs/dbraw/zinc/17/98/37/426179837.db2.gz JSNROONMVUKKAD-MRXNPFEDSA-N 2 0 313.445 2.915 20 0 DFADRP COC(=O)c1occc1CN1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000134890875 426197863 /nfs/dbraw/zinc/19/78/63/426197863.db2.gz RMVITOPZMMRGHS-CZUORRHYSA-N 2 0 318.417 2.515 20 0 DFADRP CCOC(=O)CCCC[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000134902177 426199973 /nfs/dbraw/zinc/19/99/73/426199973.db2.gz NBVRKNDZOYINQE-WBVHZDCISA-N 2 0 308.466 2.669 20 0 DFADRP C[NH+](C)CCC[NH2+][C@@H]1CCCC[C@H]1CNC(=O)OC(C)(C)C ZINC000173337892 426238976 /nfs/dbraw/zinc/23/89/76/426238976.db2.gz NRNWFAPWPWHKMQ-LSDHHAIUSA-N 2 0 313.486 2.611 20 0 DFADRP CSC[C@@](C)(O)C[NH2+][C@H]1C[C@H](C)CN(Cc2ccccc2)C1 ZINC000136450617 426241169 /nfs/dbraw/zinc/24/11/69/426241169.db2.gz MDRUIEIPIURSQI-SZMVWBNQSA-N 2 0 322.518 2.601 20 0 DFADRP CSC[C@@](C)(O)C[NH2+][C@H]1C[C@@H](C)CN(Cc2ccccc2)C1 ZINC000136450565 426241246 /nfs/dbraw/zinc/24/12/46/426241246.db2.gz MDRUIEIPIURSQI-NJAFHUGGSA-N 2 0 322.518 2.601 20 0 DFADRP COc1ccc([C@H](C)[NH2+]C2CCN(CC[NH+](C)C)CC2)cc1F ZINC000150961887 426268739 /nfs/dbraw/zinc/26/87/39/426268739.db2.gz QXVMRSCSTPKGAU-AWEZNQCLSA-N 2 0 323.456 2.511 20 0 DFADRP CCc1ccc([C@H](C)[NH2+]C2CCN(CC[NH+](C)C)CC2)s1 ZINC000150999836 426272230 /nfs/dbraw/zinc/27/22/30/426272230.db2.gz OTDZLCJOIOFHJP-AWEZNQCLSA-N 2 0 309.523 2.987 20 0 DFADRP CC(C)CC[C@H]1CCC[N@@H+]1CC(=O)NC1CC[NH+](C(C)C)CC1 ZINC000135318060 426213143 /nfs/dbraw/zinc/21/31/43/426213143.db2.gz RCFWOVIGJOJHOU-GOSISDBHSA-N 2 0 323.525 2.876 20 0 DFADRP C[C@@H]([NH2+]CCc1ccccn1)c1cccc(OCC[NH+](C)C)c1 ZINC000151405852 426294980 /nfs/dbraw/zinc/29/49/80/426294980.db2.gz OJRFNCVEFPHQJI-MRXNPFEDSA-N 2 0 313.445 2.915 20 0 DFADRP [NH3+][C@H](CC(=O)N1CCC[C@@H]1C[NH+]1CCCCC1)c1ccccc1 ZINC000119544087 426296012 /nfs/dbraw/zinc/29/60/12/426296012.db2.gz UDUFXGAKWDJMLP-QZTJIDSGSA-N 2 0 315.461 2.553 20 0 DFADRP CCc1ccc([C@H](CC)[NH2+]CC2CC[NH+](CCO)CC2)cc1 ZINC000151834478 426314957 /nfs/dbraw/zinc/31/49/57/426314957.db2.gz JRGJXKOPPPVBHW-IBGZPJMESA-N 2 0 304.478 2.994 20 0 DFADRP C[C@@H]([NH2+]CC1CC[NH+](C)CC1)c1ccc2c(c1)OCCCO2 ZINC000121191189 426323742 /nfs/dbraw/zinc/32/37/42/426323742.db2.gz ZTBDAEIRPNBCPO-CQSZACIVSA-N 2 0 304.434 2.840 20 0 DFADRP COc1cc([C@H](C)[NH2+]C[C@@H]2CCC[N@H+](C)C2)cc(OC)c1OC ZINC000121214851 426325852 /nfs/dbraw/zinc/32/58/52/426325852.db2.gz BGCLXYIUVUFBNK-KBPBESRZSA-N 2 0 322.449 2.705 20 0 DFADRP C[C@H](CCc1ccc2c(c1)OCO2)[NH2+]C[C@H]1CCC[N@H+](C)C1 ZINC000121226073 426325913 /nfs/dbraw/zinc/32/59/13/426325913.db2.gz WFEMVBUJNIRZNP-GDBMZVCRSA-N 2 0 304.434 2.668 20 0 DFADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1NC1CC[NH+](Cc2ccccc2)CC1 ZINC000121233961 426327512 /nfs/dbraw/zinc/32/75/12/426327512.db2.gz WOVZUGXDNJEFTM-HLIPFELVSA-N 2 0 315.505 2.969 20 0 DFADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]CCCn1cnc2ccccc21 ZINC000121238397 426328072 /nfs/dbraw/zinc/32/80/72/426328072.db2.gz BGMOXBHYTJEGEV-INMHGKMJSA-N 2 0 300.450 2.745 20 0 DFADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+][C@H](C)c2cccc(C)c2)CC1 ZINC000121381718 426338532 /nfs/dbraw/zinc/33/85/32/426338532.db2.gz WMVNWUHDNCKSIP-ZWKOTPCHSA-N 2 0 303.494 2.919 20 0 DFADRP CCn1nccc1CN(C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000119319545 426278244 /nfs/dbraw/zinc/27/82/44/426278244.db2.gz WXHHDQJHIPLQNL-UHFFFAOYSA-N 2 0 312.461 2.999 20 0 DFADRP CC(C)C[C@H](CO)[NH2+][C@H](C)c1ccc(OCC[NH+](C)C)cc1 ZINC000151184076 426283469 /nfs/dbraw/zinc/28/34/69/426283469.db2.gz PQZVCUXJTARPDQ-NVXWUHKLSA-N 2 0 308.466 2.685 20 0 DFADRP CC(C)[C@H](C[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1)NC(=O)OC(C)(C)C ZINC000122829986 426397113 /nfs/dbraw/zinc/39/71/13/426397113.db2.gz VZPLBBDPJQJQSF-ILXRZTDVSA-N 2 0 313.486 2.608 20 0 DFADRP Cc1cc2ncn(C[C@H](O)C[N@@H+]3CCC4(CCC4)C3)c2cc1C ZINC000122862868 426399005 /nfs/dbraw/zinc/39/90/05/426399005.db2.gz MJXLQGUZFAMTMU-MRXNPFEDSA-N 2 0 313.445 2.890 20 0 DFADRP CC[C@H]([NH2+]CCC[N@H+](C)CCOC)c1ccc2c(c1)CCO2 ZINC000153755844 426403840 /nfs/dbraw/zinc/40/38/40/426403840.db2.gz RWFUFXUGUQRKFS-KRWDZBQOSA-N 2 0 306.450 2.631 20 0 DFADRP Cc1cccn2c(C[NH+]3CCC(C[NH+]4CCCC4)CC3)cnc12 ZINC000152677162 426349346 /nfs/dbraw/zinc/34/93/46/426349346.db2.gz PBTGQXOPKRAHPG-UHFFFAOYSA-N 2 0 312.461 2.951 20 0 DFADRP CC(C)OC(=O)CC[NH+]1CCC(CCC[NH+]2CCCC2)CC1 ZINC000122040072 426357229 /nfs/dbraw/zinc/35/72/29/426357229.db2.gz PCECNQFGVIMBNA-UHFFFAOYSA-N 2 0 310.482 2.916 20 0 DFADRP C[C@@H]1C[N@@H+](CCC2CC[NH+](CC3=CCCOC3)CC2)C[C@H](C)O1 ZINC000093844412 426358600 /nfs/dbraw/zinc/35/86/00/426358600.db2.gz FXQQLFLPSUCJBG-CALCHBBNSA-N 2 0 322.493 2.544 20 0 DFADRP CC(C)N1CC[C@H]([NH+]2CCC(CCC[NH+]3CCCC3)CC2)C1=O ZINC000122158281 426361455 /nfs/dbraw/zinc/36/14/55/426361455.db2.gz HCBSQSNMKCPUSC-SFHVURJKSA-N 2 0 321.509 2.584 20 0 DFADRP COCC[C@H](C)[NH2+]Cc1ccccc1C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000176219726 426362313 /nfs/dbraw/zinc/36/23/13/426362313.db2.gz JWFVCQNQTMOCGQ-GVDBMIGSSA-N 2 0 320.477 2.810 20 0 DFADRP CC[N@H+](C)[C@H](C(=O)NCC1([NH3+])CCCCCC1)c1ccccc1 ZINC000122472576 426377442 /nfs/dbraw/zinc/37/74/42/426377442.db2.gz JBTWSGIHGRFHEB-KRWDZBQOSA-N 2 0 317.477 2.847 20 0 DFADRP CC[C@@H]1C[N@H+](CCC(=O)Nc2ccccc2Cl)CC[C@@H]1[NH3+] ZINC000122747427 426392719 /nfs/dbraw/zinc/39/27/19/426392719.db2.gz VVZJIJSEHUDKRY-OCCSQVGLSA-N 2 0 309.841 2.728 20 0 DFADRP CCOc1ccc(CN[C@@H]2C[C@@H](C)[N@H+](C)C[C@@H]2C)cc1OC ZINC000153840432 426408678 /nfs/dbraw/zinc/40/86/78/426408678.db2.gz YUKJBQGHIYBMKJ-SQWLQELKSA-N 2 0 306.450 2.912 20 0 DFADRP C[C@@H]1CCCC[C@@H]1NC(=O)C[NH+]1CCC(CCC[NH+](C)C)CC1 ZINC000123106762 426414369 /nfs/dbraw/zinc/41/43/69/426414369.db2.gz NXWIGUYOYLWCLL-AEFFLSMTSA-N 2 0 323.525 2.735 20 0 DFADRP CC[NH+]1CCN(CCC[NH2+][C@@H](Cc2ccccc2)C2CC2)CC1 ZINC000154225412 426431926 /nfs/dbraw/zinc/43/19/26/426431926.db2.gz WDVIKRFAEWIPTG-FQEVSTJZSA-N 2 0 315.505 2.625 20 0 DFADRP CC(C)CN(C(=O)C[NH+]1CCC(CCC[NH+](C)C)CC1)C1CC1 ZINC000123501020 426436945 /nfs/dbraw/zinc/43/69/45/426436945.db2.gz UDDYQTMLUBVQIS-UHFFFAOYSA-N 2 0 323.525 2.687 20 0 DFADRP CCN1CC[NH+](CCCC[NH2+][C@@H]2CCc3cc(F)ccc32)CC1 ZINC000154449435 426441923 /nfs/dbraw/zinc/44/19/23/426441923.db2.gz FWOJTNVCBGNZNO-LJQANCHMSA-N 2 0 319.468 2.820 20 0 DFADRP CC(C)n1cc2c(n1)C[C@@H]([NH2+]C1CC[NH+](C(C)C)CC1)CC2 ZINC000341280184 269059109 /nfs/dbraw/zinc/05/91/09/269059109.db2.gz MYQQAAOJJNIFMD-KRWDZBQOSA-N 2 0 304.482 2.784 20 0 DFADRP FC(F)CN1CCC([NH2+]C2CC[NH+](C3CCCC3)CC2)CC1 ZINC000341315833 269067633 /nfs/dbraw/zinc/06/76/33/269067633.db2.gz RYUVJDBGPAKCBU-UHFFFAOYSA-N 2 0 315.452 2.713 20 0 DFADRP COc1cccc([C@H](C[NH2+][C@@H](C)[C@H]2CCOC2)N2CCCC2)c1 ZINC000154835865 426457275 /nfs/dbraw/zinc/45/72/75/426457275.db2.gz ASFXCLPZVJAFKQ-IEZWGBDMSA-N 2 0 318.461 2.847 20 0 DFADRP C[C@@H]([NH2+]CCCC[NH+]1CCN(c2ccccc2)CC1)C1CC1 ZINC000177229530 426457318 /nfs/dbraw/zinc/45/73/18/426457318.db2.gz GAGZILGEYVEMHI-QGZVFWFLSA-N 2 0 301.478 2.977 20 0 DFADRP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@@H](C)c1cnc2ccsc2c1 ZINC000155074507 426463459 /nfs/dbraw/zinc/46/34/59/426463459.db2.gz DUCSSGLSHSDIKI-KGLIPLIRSA-N 2 0 318.490 2.583 20 0 DFADRP C[C@@H]1C[N@@H+](Cc2ccccc2NCc2nccn2C)C[C@H](C)O1 ZINC000124108967 426470547 /nfs/dbraw/zinc/47/05/47/426470547.db2.gz XUZSMRFNGJCVTB-GASCZTMLSA-N 2 0 314.433 2.641 20 0 DFADRP CC(C)[NH+]1CCC([NH2+][C@H](CO)Cc2c[nH]c3ccccc23)CC1 ZINC000124132860 426471118 /nfs/dbraw/zinc/47/11/18/426471118.db2.gz VNWKTYFTHQFPCK-KRWDZBQOSA-N 2 0 315.461 2.534 20 0 DFADRP CC[N@@H+]1CC[C@H](C[NH2+]Cc2ccc(OC)c(OC(F)F)c2)C1 ZINC000124145919 426472103 /nfs/dbraw/zinc/47/21/03/426472103.db2.gz LTFOBMCUAGHJIT-CYBMUJFWSA-N 2 0 314.376 2.728 20 0 DFADRP COC(=O)c1cc(C[NH+]2CCC(CC[NH+](C)C)CC2)oc1C ZINC000124148784 426472802 /nfs/dbraw/zinc/47/28/02/426472802.db2.gz ZXUWRMQOHKTYAJ-UHFFFAOYSA-N 2 0 308.422 2.538 20 0 DFADRP C[C@H]1C[N@H+](Cc2ccccc2)CCN1CC[C@@H]1CCC[NH+]1C ZINC000124212567 426475001 /nfs/dbraw/zinc/47/50/01/426475001.db2.gz YSPSOPZFQDKLMQ-HKUYNNGSSA-N 2 0 301.478 2.677 20 0 DFADRP Cc1ccc(NC(=O)C[N@H+](C)CCCn2ccnc2)cc1Cl ZINC000124239915 426476681 /nfs/dbraw/zinc/47/66/81/426476681.db2.gz CNEDUXLLVBJRSV-UHFFFAOYSA-N 2 0 320.824 2.806 20 0 DFADRP CN(C)CC[NH+]1CCC(C[NH2+][C@H]2CCc3cc(F)ccc32)CC1 ZINC000124321267 426479996 /nfs/dbraw/zinc/47/99/96/426479996.db2.gz ILBXOMSLUZCUCO-IBGZPJMESA-N 2 0 319.468 2.676 20 0 DFADRP COCC[C@H](C)[NH2+]CC1CC[NH+](Cc2ccc(OC)cc2)CC1 ZINC000124378551 426482479 /nfs/dbraw/zinc/48/24/79/426482479.db2.gz ZQALHCJSQFREDS-INIZCTEOSA-N 2 0 320.477 2.922 20 0 DFADRP Cc1ccc(C)c2c1CCC[C@H]2[NH2+]C[C@@H](C)N1CC[NH+](C)CC1 ZINC000186154549 426488833 /nfs/dbraw/zinc/48/88/33/426488833.db2.gz VLUBOBVXRAZQHN-IEBWSBKVSA-N 2 0 315.505 2.906 20 0 DFADRP C[C@H]([NH2+]CCCn1ccnc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272378395 426511283 /nfs/dbraw/zinc/51/12/83/426511283.db2.gz BLYZKIICOGYAQU-PKOBYXMFSA-N 2 0 312.461 2.773 20 0 DFADRP C[C@@H]([NH2+][C@@H](C)c1cnn(C)c1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272392642 426514907 /nfs/dbraw/zinc/51/49/07/426514907.db2.gz YCOUZKAIWSPOPQ-RYRKJORJSA-N 2 0 312.461 2.981 20 0 DFADRP COCCCOc1cccc(C[NH2+]CC2(C)CC[NH+](C)CC2)c1 ZINC000272415674 426519640 /nfs/dbraw/zinc/51/96/40/426519640.db2.gz CQPHKAIITGIFGN-UHFFFAOYSA-N 2 0 320.477 2.923 20 0 DFADRP C[C@H]([NH2+]Cc1ccc(N2CC[NH+](C)CC2)nc1)c1cccs1 ZINC000177826551 426525992 /nfs/dbraw/zinc/52/59/92/426525992.db2.gz BEWUKJRFHMDOKF-AWEZNQCLSA-N 2 0 316.474 2.746 20 0 DFADRP C/C=C/C[C@H](CO)[NH2+][C@@H](C)c1cccc(OCC[NH+](C)C)c1 ZINC000186491770 426537195 /nfs/dbraw/zinc/53/71/95/426537195.db2.gz WGVLVCPONYWKJS-QRBHQTINSA-N 2 0 306.450 2.605 20 0 DFADRP CC[NH+]1CCN([C@@H]2CC[N@H+](Cc3cc4ccccc4o3)C2)CC1 ZINC000177930978 426541119 /nfs/dbraw/zinc/54/11/19/426541119.db2.gz BVNGPXQHBSAGCP-QGZVFWFLSA-N 2 0 313.445 2.645 20 0 DFADRP O[C@@H](C[NH2+][C@@H]1CC=C(c2ccc(F)cc2)CC1)C[NH+]1CCCC1 ZINC000272526061 426548288 /nfs/dbraw/zinc/54/82/88/426548288.db2.gz OFWIFMROPWQJSJ-MOPGFXCFSA-N 2 0 318.436 2.808 20 0 DFADRP Cc1ccncc1CNc1ccc(N2CC[C@H]([NH+](C)C)C2)cn1 ZINC000280326769 426549688 /nfs/dbraw/zinc/54/96/88/426549688.db2.gz PSQVBQDZULXEEZ-KRWDZBQOSA-N 2 0 311.433 2.537 20 0 DFADRP Cc1cccc(CC[C@@H](C)[NH2+][C@H](C)CCN2CC[NH+](C)CC2)c1 ZINC000186570398 426552990 /nfs/dbraw/zinc/55/29/90/426552990.db2.gz WDSKBZVLVRWVEG-RTBURBONSA-N 2 0 317.521 2.932 20 0 DFADRP CC[C@H]([NH2+][C@@H](C)CCN1CC[NH+](C)CC1)c1ccc(OC)cc1 ZINC000186567947 426553108 /nfs/dbraw/zinc/55/31/08/426553108.db2.gz JUMJRUQGQXXFHM-LPHOPBHVSA-N 2 0 319.493 2.762 20 0 DFADRP C[C@H]1C[NH+](CCC2CC[NH+](CCOCC3CC3)CC2)C[C@H](C)O1 ZINC000177484582 426489055 /nfs/dbraw/zinc/48/90/55/426489055.db2.gz WJPKVXVRIMSXML-IRXDYDNUSA-N 2 0 324.509 2.624 20 0 DFADRP C[C@@H]1C[N@@H+](CCC2CC[NH+](CC3CCOCC3)CC2)C[C@H](C)O1 ZINC000177484359 426489087 /nfs/dbraw/zinc/48/90/87/426489087.db2.gz RMTKSUACZDHMGQ-CALCHBBNSA-N 2 0 324.509 2.624 20 0 DFADRP CCO[C@H]1C[C@@H]([NH2+]C2CC(C)(C)[NH2+]C(C)(C)C2)C12CCOCC2 ZINC000186211998 426493928 /nfs/dbraw/zinc/49/39/28/426493928.db2.gz FWLYRCDMLBQOOU-CVEARBPZSA-N 2 0 324.509 2.859 20 0 DFADRP CCOc1ccc([C@@H](C)[NH2+][C@@H](C)CCN2CC[NH+](C)CC2)cc1 ZINC000186574343 426554071 /nfs/dbraw/zinc/55/40/71/426554071.db2.gz DFWRJLJWUBVQRQ-DLBZAZTESA-N 2 0 319.493 2.762 20 0 DFADRP CCO[C@@H]1C[C@H]([NH2+]C2CC[NH+](CC(C)C)CC2)C12CCOCC2 ZINC000186233313 426496095 /nfs/dbraw/zinc/49/60/95/426496095.db2.gz PWEGHSWCIKMBMV-ZWKOTPCHSA-N 2 0 324.509 2.671 20 0 DFADRP C[C@@H](CCC1CC1)[NH2+]Cc1cccc(C(=O)NCC[NH+](C)C)c1 ZINC000186312361 426501862 /nfs/dbraw/zinc/50/18/62/426501862.db2.gz GUODAPUBDFGRJF-HNNXBMFYSA-N 2 0 317.477 2.646 20 0 DFADRP Cn1ncc2c1CCC[C@H]2[NH2+]C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000195138570 426502082 /nfs/dbraw/zinc/50/20/82/426502082.db2.gz HVCBCXRSRLBUMO-PKOBYXMFSA-N 2 0 324.472 2.909 20 0 DFADRP C[C@@H](N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)[C@@H](c1ccccc1)[NH+](C)C ZINC000186321364 426505102 /nfs/dbraw/zinc/50/51/02/426505102.db2.gz FSNRUUGKPDLDJO-OWYHZJEWSA-N 2 0 301.478 2.894 20 0 DFADRP C[C@@H]([NH2+]Cc1ccnc(N2CC[NH+](C)CC2)c1)c1ccsc1 ZINC000178120296 426574700 /nfs/dbraw/zinc/57/47/00/426574700.db2.gz ODFZFZRTKTUAOZ-CQSZACIVSA-N 2 0 316.474 2.746 20 0 DFADRP COc1ccc([C@@H](C)[NH2+]CCCN2CCC[N@H+](C)CC2)cc1C ZINC000273053647 426583158 /nfs/dbraw/zinc/58/31/58/426583158.db2.gz KFAYQOOPNXKOJA-QGZVFWFLSA-N 2 0 319.493 2.682 20 0 DFADRP Cn1cncc1C[NH2+][C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000273052994 426583183 /nfs/dbraw/zinc/58/31/83/426583183.db2.gz KUXYJBBUTKCWIJ-YSIASYRMSA-N 2 0 324.472 2.810 20 0 DFADRP Cn1cncc1C[NH2+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000273052997 426584393 /nfs/dbraw/zinc/58/43/93/426584393.db2.gz KUXYJBBUTKCWIJ-YZGWKJHDSA-N 2 0 324.472 2.810 20 0 DFADRP CCN(CCC[NH+](C)C)Cc1ccnn1-c1ccccc1OC ZINC000289181469 426597906 /nfs/dbraw/zinc/59/79/06/426597906.db2.gz AMKISPZZJGUHRY-UHFFFAOYSA-N 2 0 316.449 2.655 20 0 DFADRP CCC[N@H+](CC)Cc1ccc(C(=O)NCCC[NH+](C)C)cc1 ZINC000265257966 426606418 /nfs/dbraw/zinc/60/64/18/426606418.db2.gz KMONYMLUUWKRQG-UHFFFAOYSA-N 2 0 305.466 2.600 20 0 DFADRP Cc1cccc(CC2(O)CC[NH+](CC[C@@H]3CCC[N@H+]3C)CC2)c1 ZINC000280592208 426609292 /nfs/dbraw/zinc/60/92/92/426609292.db2.gz UIYYEVYKDQCKKF-IBGZPJMESA-N 2 0 316.489 2.849 20 0 DFADRP CC[NH+](CC)[C@H](CNC(=O)[C@H](C)[NH2+]C(C)(C)CC)c1ccco1 ZINC000273196317 426613700 /nfs/dbraw/zinc/61/37/00/426613700.db2.gz IYTYMSZIUSWMEY-LSDHHAIUSA-N 2 0 323.481 2.945 20 0 DFADRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@@H]1CCc2c1ccc(OC)c2F ZINC000289272085 426617826 /nfs/dbraw/zinc/61/78/26/426617826.db2.gz PIMYAAXIKFPEPL-CZUORRHYSA-N 2 0 324.440 2.768 20 0 DFADRP Brc1ccc(CC[NH2+][C@@H]2CCC[NH2+]CC2)s1 ZINC000226359623 426619501 /nfs/dbraw/zinc/61/95/01/426619501.db2.gz MCUHHDGWYVWJOW-SNVBAGLBSA-N 2 0 303.269 2.785 20 0 DFADRP c1ccc(C[NH+]2C[C@@H]3C[N@@H+](C[C@@H]4CCCCO4)C[C@@H]3C2)cc1 ZINC000280627122 426619721 /nfs/dbraw/zinc/61/97/21/426619721.db2.gz YPMXPTSHTGKRQX-OTWHNJEPSA-N 2 0 300.446 2.619 20 0 DFADRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+][C@H]1CC(C)(C)Cc2occc21 ZINC000186586781 426555744 /nfs/dbraw/zinc/55/57/44/426555744.db2.gz NWAPUFFRYYQNPD-WBVHZDCISA-N 2 0 319.493 2.909 20 0 DFADRP C[C@@H](CCN1CC[NH+](C)CC1)[NH2+]C1CC(c2ccc(F)cc2)C1 ZINC000186588040 426556096 /nfs/dbraw/zinc/55/60/96/426556096.db2.gz ZDAQTPRAKPIBTR-DMKPSLHHSA-N 2 0 319.468 2.687 20 0 DFADRP COCCCCC[N@H+]1C[C@@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000280362729 426558462 /nfs/dbraw/zinc/55/84/62/426558462.db2.gz JAADIRSNJOIYIR-KDURUIRLSA-N 2 0 302.462 2.867 20 0 DFADRP C[C@H]([NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]12)c1cnn(C)c1 ZINC000272562499 426559010 /nfs/dbraw/zinc/55/90/10/426559010.db2.gz NXDIRDIXOXFNFD-MFHCWRBVSA-N 2 0 324.472 2.981 20 0 DFADRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+][C@@H](C)c1cccc(F)c1F ZINC000186600042 426561879 /nfs/dbraw/zinc/56/18/79/426561879.db2.gz NJZAJKPZNZRPNY-KGLIPLIRSA-N 2 0 311.420 2.641 20 0 DFADRP CCC(C)(C)[NH2+][C@H](C)C(=O)NCc1cccc(C[NH+](C)C)c1 ZINC000273284881 426636399 /nfs/dbraw/zinc/63/63/99/426636399.db2.gz XEOWUMZUCNGZQQ-CQSZACIVSA-N 2 0 305.466 2.531 20 0 DFADRP [NH3+][C@@H]1CCC[C@H]2C[N@H+](Cc3cc(Cl)cc4c3OCC4)C[C@@H]21 ZINC000230131206 426643022 /nfs/dbraw/zinc/64/30/22/426643022.db2.gz GIOJVVAMZRFQMB-VBNZEHGJSA-N 2 0 306.837 2.834 20 0 DFADRP CCc1nc2c(s1)[C@@H]([NH2+]CCCN1CCC(O)CC1)CCC2 ZINC000178521401 426646531 /nfs/dbraw/zinc/64/65/31/426646531.db2.gz SRPNBHLYJMOCKH-AWEZNQCLSA-N 2 0 323.506 2.519 20 0 DFADRP CN(Cc1csc(-c2ccccn2)n1)[C@H]1CCC[NH2+]CC1 ZINC000231457791 426652116 /nfs/dbraw/zinc/65/21/16/426652116.db2.gz BZSHIIMQFBCTHH-AWEZNQCLSA-N 2 0 302.447 2.779 20 0 DFADRP C[NH2+]C[C@@H](C)C(=O)Nc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000178742188 426686663 /nfs/dbraw/zinc/68/66/63/426686663.db2.gz OQMZBWFURGGWNP-OAHLLOKOSA-N 2 0 303.450 2.857 20 0 DFADRP CCCC[C@H](C[NH3+])NC(=O)[C@@H](c1ccccc1)[NH+](CC)CC ZINC000236915113 426686802 /nfs/dbraw/zinc/68/68/02/426686802.db2.gz WAFKDWIRGGVKQL-IAGOWNOFSA-N 2 0 305.466 2.703 20 0 DFADRP C[C@H](C[NH2+]C1CCN(c2cc[nH+]cc2)CC1)c1nccs1 ZINC000235480500 426661150 /nfs/dbraw/zinc/66/11/50/426661150.db2.gz CJLQCQGEIDUKFL-CYBMUJFWSA-N 2 0 302.447 2.900 20 0 DFADRP Cc1nccn1CCN[C@@H](C)c1nc(-c2cccc(F)c2)no1 ZINC000273425558 426661752 /nfs/dbraw/zinc/66/17/52/426661752.db2.gz WFTHUKZIAWYUCK-NSHDSACASA-N 2 0 315.352 2.731 20 0 DFADRP COc1cc2c(cc1F)[nH+]ccc2N1C[C@H]([NH+](C)C)[C@@H](C)C1 ZINC000280820206 426664134 /nfs/dbraw/zinc/66/41/34/426664134.db2.gz XXLWJWKVNPQSDK-ZBEGNZNMSA-N 2 0 303.381 2.769 20 0 DFADRP CCC(CC)(C[NH3+])C(=O)NCCCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000236661422 426670839 /nfs/dbraw/zinc/67/08/39/426670839.db2.gz RJLQSWHTPJWXDK-HOTGVXAUSA-N 2 0 311.514 2.626 20 0 DFADRP CCC(CC)(C[NH3+])C(=O)NCCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000236661401 426671339 /nfs/dbraw/zinc/67/13/39/426671339.db2.gz RJLQSWHTPJWXDK-IYBDPMFKSA-N 2 0 311.514 2.626 20 0 DFADRP CCCC[N@H+](CC)Cc1cccc(CNC(=O)[C@@H]2CC[NH2+]C2)c1 ZINC000236727361 426680497 /nfs/dbraw/zinc/68/04/97/426680497.db2.gz WETAQYUEPWVGAY-GOSISDBHSA-N 2 0 317.477 2.534 20 0 DFADRP C[C@@H](C[NH2+]C[C@H](O)C[NH+]1CCCCC1)c1cccc(Cl)c1 ZINC000187708589 426687560 /nfs/dbraw/zinc/68/75/60/426687560.db2.gz JTDGSJBXZSKANX-YOEHRIQHSA-N 2 0 310.869 2.880 20 0 DFADRP Cc1nc(C)c([C@@H](C)[NH2+]CC2CC[NH+](CCN(C)C)CC2)s1 ZINC000178738917 426684342 /nfs/dbraw/zinc/68/43/42/426684342.db2.gz XOSJTKJBCBAQCO-CYBMUJFWSA-N 2 0 324.538 2.684 20 0 DFADRP CC(C)[C@H]([NH3+])C(=O)Nc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000178742083 426685641 /nfs/dbraw/zinc/68/56/41/426685641.db2.gz OUXLWWSWBWSTOL-KRWDZBQOSA-N 2 0 303.450 2.984 20 0 DFADRP C[C@H]([NH2+]CCC[NH+]1CCCC1)c1cccc(OCC[NH+](C)C)c1 ZINC000178412627 426624264 /nfs/dbraw/zinc/62/42/64/426624264.db2.gz INYGLHUVOJKVJN-KRWDZBQOSA-N 3 0 319.493 2.764 20 0 DFADRP CO[C@H](C)[C@@H](C)[NH2+][C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000290145211 426703017 /nfs/dbraw/zinc/70/30/17/426703017.db2.gz KYBJVUJHGOXVDX-QWXYKEQDSA-N 2 0 302.462 2.910 20 0 DFADRP C[C@H]1C[C@@H](N(C)Cc2ccc(Br)o2)CC[N@@H+]1C ZINC000188075980 426720070 /nfs/dbraw/zinc/72/00/70/426720070.db2.gz PXKFYOXUDHEHDQ-QWRGUYRKSA-N 2 0 301.228 2.957 20 0 DFADRP CC[NH+]1CCN([C@H]2CC[N@H+](Cc3c(C)cccc3C)C2)CC1 ZINC000265804354 426694216 /nfs/dbraw/zinc/69/42/16/426694216.db2.gz OEMBHSYVHQLKQB-SFHVURJKSA-N 2 0 301.478 2.515 20 0 DFADRP Cn1cc(CC[N@H+](C)C2CCN(Cc3ccccc3)CC2)cn1 ZINC000265823439 426697419 /nfs/dbraw/zinc/69/74/19/426697419.db2.gz IVVYNVIFWSJAQL-UHFFFAOYSA-N 2 0 312.461 2.559 20 0 DFADRP [NH3+][C@@H]1CCCCCC[C@@H]1C(=O)N[C@@H]1CC[N@H+](CC2CCCC2)C1 ZINC000237874797 426697574 /nfs/dbraw/zinc/69/75/74/426697574.db2.gz OSKVMNBUCYTFKT-FGTMMUONSA-N 2 0 321.509 2.665 20 0 DFADRP [NH3+][C@@H](CC(=O)N1CCC[C@H]([NH+]2CCCC2)CC1)c1ccccc1 ZINC000237874305 426697619 /nfs/dbraw/zinc/69/76/19/426697619.db2.gz MNERGXUIQCEPTI-ROUUACIJSA-N 2 0 315.461 2.553 20 0 DFADRP O[C@@H]1c2ccccc2C[C@H]1[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000245855583 426776519 /nfs/dbraw/zinc/77/65/19/426776519.db2.gz NLFRKBZUGZCLMC-BHIYHBOVSA-N 2 0 300.446 2.595 20 0 DFADRP Cc1nccn1CCCC[N@@H+](C)CC(=O)Nc1ccccc1 ZINC000179399198 426783944 /nfs/dbraw/zinc/78/39/44/426783944.db2.gz HUADNGQROPENCJ-UHFFFAOYSA-N 2 0 300.406 2.542 20 0 DFADRP CCO[C@@H]1C[C@H]([NH2+]CCCC[NH+]2C[C@H](C)O[C@@H](C)C2)C1(C)C ZINC000245949661 426786971 /nfs/dbraw/zinc/78/69/71/426786971.db2.gz WHIHQPXGKCRYKE-LUKYLMHMSA-N 2 0 312.498 2.669 20 0 DFADRP COc1ccc(OC)c([C@H]2CCC[N@@H+]2CC2CC[NH2+]CC2)c1 ZINC000178956117 426724697 /nfs/dbraw/zinc/72/46/97/426724697.db2.gz ZSFPQERLRMKYFR-QGZVFWFLSA-N 2 0 304.434 2.840 20 0 DFADRP COc1ccc(C(=O)C2CC[NH+](CC3CC[NH2+]CC3)CC2)cc1 ZINC000178956734 426725326 /nfs/dbraw/zinc/72/53/26/426725326.db2.gz RCHQCRGNEDQLSX-UHFFFAOYSA-N 2 0 316.445 2.590 20 0 DFADRP CC(C)(C)c1csc([C@@H]2CN(CC3CC[NH2+]CC3)CCO2)n1 ZINC000178971430 426727737 /nfs/dbraw/zinc/72/77/37/426727737.db2.gz KOKGKPCPGUCHCT-AWEZNQCLSA-N 2 0 323.506 2.814 20 0 DFADRP Fc1cccc(C[N@H+](C[C@H]2CCCO2)CC2CC[NH2+]CC2)c1 ZINC000178968706 426727974 /nfs/dbraw/zinc/72/79/74/426727974.db2.gz OBTWPSGEVBMLRQ-GOSISDBHSA-N 2 0 306.425 2.806 20 0 DFADRP COc1ccccc1CC1CC[NH+](CC2CC[NH2+]CC2)CC1 ZINC000178971679 426728000 /nfs/dbraw/zinc/72/80/00/426728000.db2.gz VNWJHSPRFFTFNF-UHFFFAOYSA-N 2 0 302.462 2.949 20 0 DFADRP COCC[N@@H+]1CC[C@@H](Nc2ccc(Cl)c(C[NH+](C)C)c2)C1 ZINC000281614511 426730853 /nfs/dbraw/zinc/73/08/53/426730853.db2.gz NHUDXRCFRKDBMD-OAHLLOKOSA-N 2 0 311.857 2.534 20 0 DFADRP CCC[N@H+](CC)C[C@@H](C)NC1CC[NH+](Cc2ccccn2)CC1 ZINC000290312820 426739237 /nfs/dbraw/zinc/73/92/37/426739237.db2.gz ZXQOELPHBYFGRB-QGZVFWFLSA-N 2 0 318.509 2.756 20 0 DFADRP CN(CC[C@@H]1CCCC[N@@H+]1C)C[C@@H](O)c1c(F)cccc1F ZINC000266602306 426746834 /nfs/dbraw/zinc/74/68/34/426746834.db2.gz RHPSTAXUYRIILT-XJKSGUPXSA-N 2 0 312.404 2.804 20 0 DFADRP Cc1nccn1CCC[N@@H+](C)[C@H](C)C(=O)N1[C@H](C)CCC[C@H]1C ZINC000245582140 426754816 /nfs/dbraw/zinc/75/48/16/426754816.db2.gz JBMCAVWAPPRPIA-BZUAXINKSA-N 2 0 320.481 2.691 20 0 DFADRP CCn1nc(CN(C)[C@H]2CC[N@H+](C)C[C@@H]2C)c2ccccc21 ZINC000290405992 426758182 /nfs/dbraw/zinc/75/81/82/426758182.db2.gz JSPLKQCPLMLKRE-YOEHRIQHSA-N 2 0 300.450 2.828 20 0 DFADRP O=C(C1CC[NH+](CCC[NH+]2CCCC2)CC1)N1CCCCCC1 ZINC000179156043 426760550 /nfs/dbraw/zinc/76/05/50/426760550.db2.gz HDIPFWULWTZQPN-UHFFFAOYSA-N 2 0 321.509 2.587 20 0 DFADRP CCC[C@H](C(=O)N[C@@H](C)[C@@H](c1ccccc1)[NH+](C)C)[NH+](C)C ZINC000274596557 426798736 /nfs/dbraw/zinc/79/87/36/426798736.db2.gz LNQNKAZEOHOXMK-UAGQMJEPSA-N 2 0 305.466 2.524 20 0 DFADRP Cn1ccnc1CN[C@@H]1c2ccccc2CC[C@@H]1n1ccnc1 ZINC000290603275 426803286 /nfs/dbraw/zinc/80/32/86/426803286.db2.gz WBCOYQAOLLVHCH-FUHWJXTLSA-N 2 0 307.401 2.635 20 0 DFADRP C[C@@H]([NH2+]CCC[C@H](C)CO)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000274758197 426830763 /nfs/dbraw/zinc/83/07/63/426830763.db2.gz JMEJZJNGOBVADA-SCTDSRPQSA-N 2 0 304.478 2.895 20 0 DFADRP C[C@@H](C(=O)NCCC[N@@H+]1CCCC[C@@H]1C)[NH+]1CCCCCC1 ZINC000246721746 426858006 /nfs/dbraw/zinc/85/80/06/426858006.db2.gz LWKLZXLBHCUFQC-IRXDYDNUSA-N 2 0 309.498 2.632 20 0 DFADRP C[NH+]1CCN(c2cccc(Cl)c2C[NH2+]CC2CCC2)CC1 ZINC000180096515 426836190 /nfs/dbraw/zinc/83/61/90/426836190.db2.gz IQNSOIOVEXLAEI-UHFFFAOYSA-N 2 0 307.869 2.982 20 0 DFADRP CC[NH+]1CCN([C@@H](C)C[NH2+][C@H]2c3cc(C)ccc3C[C@@H]2C)CC1 ZINC000180119977 426838384 /nfs/dbraw/zinc/83/83/84/426838384.db2.gz VPJUKBCIQIGSSF-ABSDTBQOSA-N 2 0 315.505 2.844 20 0 DFADRP CC[NH+]1CCN([C@H](C)C[NH2+][C@H]2c3cc(C)ccc3C[C@@H]2C)CC1 ZINC000180119993 426839169 /nfs/dbraw/zinc/83/91/69/426839169.db2.gz VPJUKBCIQIGSSF-SQGPQFPESA-N 2 0 315.505 2.844 20 0 DFADRP COC1(C[NH2+][C@H](C)c2ccc(OCC[NH+](C)C)cc2)CCC1 ZINC000180196247 426844690 /nfs/dbraw/zinc/84/46/90/426844690.db2.gz YDATUJPKPPNEPA-OAHLLOKOSA-N 2 0 306.450 2.847 20 0 DFADRP C[C@@H](C[NH2+]C[C@H](O)C[NH+]1CCCCC1)c1cc(F)cc(F)c1 ZINC000295342955 426917331 /nfs/dbraw/zinc/91/73/31/426917331.db2.gz BJJDMDQPAFYXSD-GUYCJALGSA-N 2 0 312.404 2.505 20 0 DFADRP Cc1cccc(CCC[N@@H+](C)CCN(C)C2CC[NH+](C)CC2)c1 ZINC000181202603 426924351 /nfs/dbraw/zinc/92/43/51/426924351.db2.gz OPINAZKKNYSSQT-UHFFFAOYSA-N 2 0 317.521 2.885 20 0 DFADRP C[C@@H](CC(N)=O)[NH2+]Cc1ccccc1C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000267289606 426864271 /nfs/dbraw/zinc/86/42/71/426864271.db2.gz XLYHCHZCHOPJRQ-XHSDSOJGSA-N 2 0 317.477 2.518 20 0 DFADRP CCC[N@@H+]1CC[C@H](C[NH2+]Cc2ccc(-c3cnn(C)c3)s2)C1 ZINC000282293561 426874208 /nfs/dbraw/zinc/87/42/08/426874208.db2.gz QQOUOYFKSBSWPC-CQSZACIVSA-N 2 0 318.490 2.970 20 0 DFADRP C[C@@H]1C[NH+](CCC2CC[NH+](CC[C@@H]3CCCO3)CC2)C[C@@H](C)O1 ZINC000189519097 426878452 /nfs/dbraw/zinc/87/84/52/426878452.db2.gz JTFUIEIKABOBRH-LMMKCTJWSA-N 2 0 324.509 2.767 20 0 DFADRP C[C@@H]1C[C@@H](N[C@@H]2CCN(c3ccccc3Cl)C2=O)CC[N@@H+]1C ZINC000180725659 426881908 /nfs/dbraw/zinc/88/19/08/426881908.db2.gz FNMGJHSXYQNPNJ-VNHYZAJKSA-N 2 0 321.852 2.518 20 0 DFADRP CCN(CC[NH2+][C@@H]1CC[N@H+](CC)C[C@@H]1C)C(=O)OC(C)(C)C ZINC000246971229 426886897 /nfs/dbraw/zinc/88/68/97/426886897.db2.gz JLGNAWJGALMVGR-LSDHHAIUSA-N 2 0 313.486 2.563 20 0 DFADRP C[C@H](O)[C@@H]1CC[N@H+](CC(C)(C)C[NH+](C)Cc2ccccc2)C1 ZINC000180860522 426893976 /nfs/dbraw/zinc/89/39/76/426893976.db2.gz SNDOTZHFKIXGND-FUHWJXTLSA-N 2 0 304.478 2.847 20 0 DFADRP OC1CC[NH+](CCC[NH2+]CCCCCOc2ccccc2)CC1 ZINC000275715354 426902785 /nfs/dbraw/zinc/90/27/85/426902785.db2.gz LJCOFZZZXNLGBZ-UHFFFAOYSA-N 2 0 320.477 2.672 20 0 DFADRP CC[NH+]1CCN([C@@H]2CC[N@H+](C[C@@H](C)c3ccc(F)cc3)C2)CC1 ZINC000275710862 426902921 /nfs/dbraw/zinc/90/29/21/426902921.db2.gz MCJIDUCRCRHLJV-VQIMIIECSA-N 2 0 319.468 2.641 20 0 DFADRP C[C@@H]1C[C@H](N[C@H]2C[C@@H](C)[NH+](C)C[C@H]2C)C[N@@H+]1Cc1ccccc1 ZINC000247139854 426906347 /nfs/dbraw/zinc/90/63/47/426906347.db2.gz QTIYVGYNRMSCCF-QKMNUUQDSA-N 2 0 315.505 2.968 20 0 DFADRP C[NH+](C)[C@@]1(CN[C@@H](c2ncc[nH]2)c2ccccc2)CCSC1 ZINC000275926772 426948506 /nfs/dbraw/zinc/94/85/06/426948506.db2.gz WVQDBLLYWQRXHB-NVXWUHKLSA-N 2 0 316.474 2.526 20 0 DFADRP C[C@H](CNC1CC[NH+](CCc2ccc(F)cc2)CC1)C[NH+](C)C ZINC000291674928 426949122 /nfs/dbraw/zinc/94/91/22/426949122.db2.gz GZYIQHDQDFEXIT-MRXNPFEDSA-N 2 0 321.484 2.620 20 0 DFADRP C[C@@H](C[NH2+]Cc1cccc(OCc2ccccn2)c1)C[NH+](C)C ZINC000291687477 426952690 /nfs/dbraw/zinc/95/26/90/426952690.db2.gz IOBVKNPBQJUDBD-INIZCTEOSA-N 2 0 313.445 2.948 20 0 DFADRP Cc1ccccc1-c1noc(CN(C)CC[C@@H]([NH3+])C(C)C)n1 ZINC000317120694 426953818 /nfs/dbraw/zinc/95/38/18/426953818.db2.gz HNKKMIDOGQRPOZ-OAHLLOKOSA-N 2 0 302.422 2.850 20 0 DFADRP C[C@H]([NH2+]CC1(C)CC[NH+](C)CC1)c1nc2ccccc2n1C ZINC000319128014 426960830 /nfs/dbraw/zinc/96/08/30/426960830.db2.gz RJGGBBGTNAXYLW-AWEZNQCLSA-N 2 0 300.450 2.956 20 0 DFADRP CCO[C@H]1C[C@H]([NH2+]C2CC[NH+](CCCOC)CC2)C12CCCC2 ZINC000181660793 426973218 /nfs/dbraw/zinc/97/32/18/426973218.db2.gz GSLTYHMONIEKDD-ROUUACIJSA-N 2 0 324.509 2.815 20 0 DFADRP CCC1(CC)[C@H]([NH2+]C2CC[NH+](C[C@@H]3CCOC3)CC2)C[C@@H]1OC ZINC000181775937 426979542 /nfs/dbraw/zinc/97/95/42/426979542.db2.gz PNVQFUPAEATKRU-JQHSSLGASA-N 2 0 324.509 2.671 20 0 DFADRP C[C@H](NC(=O)CC1CC[NH+](C)CC1)[C@@H](c1ccccc1)[NH+](C)C ZINC000291623107 426931845 /nfs/dbraw/zinc/93/18/45/426931845.db2.gz HBFCNFCVKXARMC-KXBFYZLASA-N 2 0 317.477 2.526 20 0 DFADRP CC(C)[N@@H+]1CCC[C@@H](CNC(=O)c2sccc2C[NH+](C)C)C1 ZINC000268172186 426936379 /nfs/dbraw/zinc/93/63/79/426936379.db2.gz VAWBLUTVVGGUJD-AWEZNQCLSA-N 2 0 323.506 2.660 20 0 DFADRP CCC[C@@H](C(=O)NC[C@@H](c1ccc(CC)cc1)[NH+](C)C)[NH+](C)C ZINC000337953390 427055506 /nfs/dbraw/zinc/05/55/06/427055506.db2.gz YTFGUOFMDAHUMP-ROUUACIJSA-N 2 0 319.493 2.698 20 0 DFADRP O=C(CC[C@H]1CCC[NH2+]1)NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000292011129 427056103 /nfs/dbraw/zinc/05/61/03/427056103.db2.gz DFYUVHARDQKVNP-CABCVRRESA-N 2 0 321.490 2.533 20 0 DFADRP CC(C)C[C@H](CO)[NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]12 ZINC000248406185 426996925 /nfs/dbraw/zinc/99/69/25/426996925.db2.gz BRGYAFVFNIOCQH-UAFMIMERSA-N 2 0 316.489 2.894 20 0 DFADRP CC(C)N1CCC[C@H]([NH2+][C@@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)C1=O ZINC000248537720 427008646 /nfs/dbraw/zinc/00/86/46/427008646.db2.gz ACDIKZFXLIELPR-BQFCYCMXSA-N 2 0 321.509 2.628 20 0 DFADRP C[C@@H]1C[C@@H]([N@H+](C)CCCc2ccc3c(c2)CCO3)CCN1C ZINC000190052890 427011290 /nfs/dbraw/zinc/01/12/90/427011290.db2.gz MQJAXCCQFSPXAL-QAPCUYQASA-N 2 0 302.462 2.969 20 0 DFADRP CC(C)[NH+]1CCC(O)(C[NH2+]Cc2ccc(Cl)c(F)c2)CC1 ZINC000268411076 427011456 /nfs/dbraw/zinc/01/14/56/427011456.db2.gz HYKDRDJASIYUHG-UHFFFAOYSA-N 2 0 314.832 2.804 20 0 DFADRP [NH3+]C1(C(=O)NCc2ccccc2C[NH+]2CCCCCC2)CCC1 ZINC000295942674 427022023 /nfs/dbraw/zinc/02/20/23/427022023.db2.gz GJZFHZSQIGTXBS-UHFFFAOYSA-N 2 0 315.461 2.560 20 0 DFADRP C[C@H](Cn1cccn1)[NH2+][C@@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000337900152 427026250 /nfs/dbraw/zinc/02/62/50/427026250.db2.gz PHYZQBRTNAYZSB-ZHALLVOQSA-N 2 0 312.461 2.914 20 0 DFADRP Cc1cc(F)ccc1C[N@H+]1CCCC[C@H](N2CCN(C)CC2)C1 ZINC000182210654 427027661 /nfs/dbraw/zinc/02/76/61/427027661.db2.gz UDBFQMYLWMBVPZ-IBGZPJMESA-N 2 0 319.468 2.736 20 0 DFADRP CCC[C@H](C(=O)NCC(C)(C)[N@@H+]1CCC[C@H](CC)C1)[NH+](C)C ZINC000337903489 427030070 /nfs/dbraw/zinc/03/00/70/427030070.db2.gz LAVNVRMKBZHLEY-JKSUJKDBSA-N 2 0 311.514 2.734 20 0 DFADRP CC[C@]1(C)CN(C[C@@H](C)C[N@@H+]2CCO[C@@](C)(CC)C2)CCO1 ZINC000248940332 427065798 /nfs/dbraw/zinc/06/57/98/427065798.db2.gz NXNMJGOXRYJNRQ-NNZMDNLPSA-N 2 0 312.498 2.624 20 0 DFADRP CCC[NH2+][C@H](C)C(=O)Nc1ccccc1NC1CC[NH+](C)CC1 ZINC000296093221 427072946 /nfs/dbraw/zinc/07/29/46/427072946.db2.gz RHWMCITXQIWXEB-CQSZACIVSA-N 2 0 318.465 2.519 20 0 DFADRP CC[N@@H+]1CC[C@H](C[NH2+]C[C@H](C)Cc2ccc(OC)c(F)c2)C1 ZINC000249033380 427076827 /nfs/dbraw/zinc/07/68/27/427076827.db2.gz SWNQQFWCTOPUPB-GDBMZVCRSA-N 2 0 308.441 2.944 20 0 DFADRP OC[C@@H]1CCC[N@@H+]1CCCC[NH2+][C@H]1CCC[C@H]1CCCF ZINC000337991105 427079655 /nfs/dbraw/zinc/07/96/55/427079655.db2.gz WSGFJAYLXZKXIW-ULQDDVLXSA-N 2 0 300.462 2.731 20 0 DFADRP CO[C@@H]1CC[C@H]([NH2+][C@@H](C)c2cccc(OCC[NH+](C)C)c2)C1 ZINC000249063237 427083469 /nfs/dbraw/zinc/08/34/69/427083469.db2.gz PZGQHVQFRBDEEC-BHYGNILZSA-N 2 0 306.450 2.845 20 0 DFADRP C[C@H]([NH3+])[C@H](C)C(=O)NCc1ccccc1C[N@@H+]1CCCC[C@H]1C ZINC000249070580 427083806 /nfs/dbraw/zinc/08/38/06/427083806.db2.gz QHELQHLETSKYQJ-PMPSAXMXSA-N 2 0 317.477 2.661 20 0 DFADRP C[C@H](CNC(=O)[C@H](C)[N@H+]1[C@H](C)CC[C@@H]1C)[NH+]1CCCC[C@H]1C ZINC000338002924 427088314 /nfs/dbraw/zinc/08/83/14/427088314.db2.gz SSDWUOKPPAZSFT-UUAJXVIYSA-N 2 0 309.498 2.627 20 0 DFADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]C[C@@]1(O)CCC[C@H](C(F)(F)F)C1 ZINC000249192213 427093905 /nfs/dbraw/zinc/09/39/05/427093905.db2.gz OOJJULGTVKSZSY-NIFZNCRKSA-N 2 0 322.415 2.788 20 0 DFADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@]2(O)CCC[C@@H](C(F)(F)F)C2)[C@@H](C)C1 ZINC000249173289 427094970 /nfs/dbraw/zinc/09/49/70/427094970.db2.gz CUHUBMIIIGKSTI-XGUBFFRZSA-N 2 0 322.415 2.790 20 0 DFADRP CC(C)[C@H](O)C[N@H+](C)[C@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000283906174 427095336 /nfs/dbraw/zinc/09/53/36/427095336.db2.gz JPARRJJJKHBHDW-NZSAHSFTSA-N 2 0 304.478 2.988 20 0 DFADRP C(C[N@H+](C[C@@H]1CCCO1)[C@H]1CCSC1)C[NH+]1CCCCC1 ZINC000249290636 427103953 /nfs/dbraw/zinc/10/39/53/427103953.db2.gz AEXMUNUFIGGSGJ-IRXDYDNUSA-N 2 0 312.523 2.849 20 0 DFADRP Cc1cccnc1C[N@H+]1CC[C@@H](CN(C)Cc2cccnc2)C1 ZINC000190481131 427122382 /nfs/dbraw/zinc/12/23/82/427122382.db2.gz ZFPUASKZXXPANT-SFHVURJKSA-N 2 0 310.445 2.739 20 0 DFADRP C[C@@H]([NH2+]C[C@@H]1CCCCO1)c1ccc(OCC[NH+](C)C)cc1 ZINC000268809362 427125012 /nfs/dbraw/zinc/12/50/12/427125012.db2.gz NLOIJTUXTCILTE-QAPCUYQASA-N 2 0 306.450 2.847 20 0 DFADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@](C)(Cc2ccccc2)[C@@H](C)O)[C@@H](C)C1 ZINC000249711707 427137378 /nfs/dbraw/zinc/13/73/78/427137378.db2.gz YORGDJFQHGSRJE-HNJRGHQBSA-N 2 0 318.505 2.936 20 0 DFADRP C[C@H](CC(C)(C)O)[NH2+][C@H](C)c1ccc(OCC[NH+](C)C)cc1 ZINC000296295566 427140854 /nfs/dbraw/zinc/14/08/54/427140854.db2.gz FPZZMDILQSFGQD-HUUCEWRRSA-N 2 0 308.466 2.827 20 0 DFADRP C[C@H]1CCC[N@H+](CCCCNC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC000284179269 427149660 /nfs/dbraw/zinc/14/96/60/427149660.db2.gz XVLPFBQGIDOVQM-HNNXBMFYSA-N 2 0 314.433 2.576 20 0 DFADRP C[C@H](c1ccc([S@@](C)=O)cc1)[N@H+](C)CCCn1ccnc1 ZINC000182812497 427150858 /nfs/dbraw/zinc/15/08/58/427150858.db2.gz FSSIMIGJXHNJRY-SPLOXXLWSA-N 2 0 305.447 2.704 20 0 DFADRP CC[N@H+](Cc1ccc(C(=O)N[C@@H]2C[NH2+]CC[C@H]2C)cc1)C(C)C ZINC000249958816 427152413 /nfs/dbraw/zinc/15/24/13/427152413.db2.gz JMGJGUQYLCQUPW-CRAIPNDOSA-N 2 0 317.477 2.645 20 0 DFADRP COC[C@H]([NH2+]CCC1CC[NH+](C)CC1)c1ccc(F)c(F)c1 ZINC000182837868 427154165 /nfs/dbraw/zinc/15/41/65/427154165.db2.gz LUUOCMIRINVTAK-KRWDZBQOSA-N 2 0 312.404 2.974 20 0 DFADRP C[C@H]1CC[C@H](C[NH+]2CCC(CC[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)O1 ZINC000190651737 427154576 /nfs/dbraw/zinc/15/45/76/427154576.db2.gz SVBZBWDTWFYUHY-IMBTUZDBSA-N 2 0 324.509 2.765 20 0 DFADRP CCOc1ccc([C@H](C)[NH2+]C[C@@H](C)CN2CC[NH+](C)CC2)cc1 ZINC000121069380 271017211 /nfs/dbraw/zinc/01/72/11/271017211.db2.gz BFKZUBCVEWKSSD-SJORKVTESA-N 2 0 319.493 2.619 20 0 DFADRP C[NH+](C)Cc1cccc(C[NH2+][C@@H]2[C@H]3CCO[C@@H]3C23CCC3)c1 ZINC000121098726 271019376 /nfs/dbraw/zinc/01/93/76/271019376.db2.gz IYVJSGQETONJHL-KURKYZTESA-N 2 0 300.446 2.795 20 0 DFADRP CCC[NH+]1CCC(NC[C@H](c2ccco2)[NH+]2CCCC2)CC1 ZINC000121171925 271024299 /nfs/dbraw/zinc/02/42/99/271024299.db2.gz PJLLQWPYZUFIMW-QGZVFWFLSA-N 2 0 305.466 2.881 20 0 DFADRP O=C(c1ccccc1Oc1ccncc1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000338171682 427168364 /nfs/dbraw/zinc/16/83/64/427168364.db2.gz NMQCWGKIHOZTEI-OAHLLOKOSA-N 2 0 323.396 2.794 20 0 DFADRP C[C@@H]1CCCC[N@@H+]1CCC[NH2+]CCCNC(=O)OC(C)(C)C ZINC000227403580 271235817 /nfs/dbraw/zinc/23/58/17/271235817.db2.gz PVFOVDNZHLCHGH-OAHLLOKOSA-N 2 0 313.486 2.755 20 0 DFADRP O[C@H](C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1)c1ccccc1 ZINC000252692420 271267554 /nfs/dbraw/zinc/26/75/54/271267554.db2.gz LVKRIKHFMKWDBV-YTQUADARSA-N 2 0 300.446 2.669 20 0 DFADRP CC[C@@H](COC)[NH2+]Cc1ccc(OC2CC[NH+](C)CC2)cc1 ZINC000284285009 427171800 /nfs/dbraw/zinc/17/18/00/427171800.db2.gz HVCAPUFBYLYLOZ-INIZCTEOSA-N 2 0 306.450 2.674 20 0 DFADRP CCc1noc(C2CCC([NH2+]C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)n1 ZINC000333527541 271376110 /nfs/dbraw/zinc/37/61/10/271376110.db2.gz IISSUEJYODBAII-SVFSVNPNSA-N 2 0 318.465 2.873 20 0 DFADRP C[C@H](CCc1ccccc1)[N@H+](C)CCCN1CC[NH+](C)CC1 ZINC000182962063 427176395 /nfs/dbraw/zinc/17/63/95/427176395.db2.gz VVZRTAPZTUGVCV-GOSISDBHSA-N 2 0 303.494 2.577 20 0 DFADRP CS[C@H]1CC[N@H+](CCCN2CCN(c3ccccc3)CC2)C1 ZINC000296448466 427182128 /nfs/dbraw/zinc/18/21/28/427182128.db2.gz WJYMNHNUJSDCAN-SFHVURJKSA-N 2 0 319.518 2.636 20 0 DFADRP CCN(CC)C(=O)C[C@H](C)[NH2+][C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000183192620 427219263 /nfs/dbraw/zinc/21/92/63/427219263.db2.gz NHPLMEHOGVAICF-YESZJQIVSA-N 2 0 323.525 2.876 20 0 DFADRP CC[NH+]1CCN([C@@H](C)C[NH2+][C@H]2CCc3c2c(F)ccc3F)CC1 ZINC000338199955 427188965 /nfs/dbraw/zinc/18/89/65/427188965.db2.gz PBWCWEBWJQONBI-GUYCJALGSA-N 2 0 323.431 2.568 20 0 DFADRP c1ccc(C[C@H](N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)c2cccnc2)nc1 ZINC000338211728 427194672 /nfs/dbraw/zinc/19/46/72/427194672.db2.gz JINMYVHYTXBXHN-ZCNNSNEGSA-N 2 0 322.456 2.977 20 0 DFADRP C[N@@H+]1CCC[C@@H]1CC[NH2+][C@@H](c1ccccc1)C1(CO)CCC1 ZINC000292894204 427205595 /nfs/dbraw/zinc/20/55/95/427205595.db2.gz ZABPZQFLLREPNW-MSOLQXFVSA-N 2 0 302.462 2.964 20 0 DFADRP C[C@@H](CC(C)(C)C)[NH2+]Cc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000296530330 427213016 /nfs/dbraw/zinc/21/30/16/427213016.db2.gz SOUDCRZIJUITRZ-HNNXBMFYSA-N 2 0 304.482 2.748 20 0 DFADRP CCc1ccc2[nH+]ccc(N3CC[C@@H]4OCC[N@H+](C)[C@@H]4C3)c2c1 ZINC000296730428 427229566 /nfs/dbraw/zinc/22/95/66/427229566.db2.gz IOXJSTYNTWGEAU-MOPGFXCFSA-N 2 0 311.429 2.707 20 0 DFADRP CC(C)Cn1cc(C[N@@H+]2CC[C@@H](CNc3ccccn3)C2)cn1 ZINC000183234120 427230416 /nfs/dbraw/zinc/23/04/16/427230416.db2.gz JUXYSPJHRGTOAY-INIZCTEOSA-N 2 0 313.449 2.868 20 0 DFADRP COCC(C)(C)C[NH2+][C@H](C)c1ccc(OCC[NH+](C)C)cc1 ZINC000293249334 427262231 /nfs/dbraw/zinc/26/22/31/427262231.db2.gz BNSJIFTWSNQKMU-OAHLLOKOSA-N 2 0 308.466 2.950 20 0 DFADRP CC(C)[NH+]1CCC(O)(C[NH2+]Cc2cc(Cl)ccc2F)CC1 ZINC000269897878 427302525 /nfs/dbraw/zinc/30/25/25/427302525.db2.gz YASYDRPLMFQNON-UHFFFAOYSA-N 2 0 314.832 2.804 20 0 DFADRP c1cc(C[N@@H+](CC2CC[NH2+]CC2)[C@H]2CC23CC[NH2+]CC3)cs1 ZINC000262137852 427352378 /nfs/dbraw/zinc/35/23/78/427352378.db2.gz DPONFKSSBFDZBT-KRWDZBQOSA-N 3 0 319.518 2.692 20 0 DFADRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@@H](C)c1cnn(C(C)C)c1C ZINC000191333963 427322428 /nfs/dbraw/zinc/32/24/28/427322428.db2.gz OJZOMVLAVPGYQB-GOEBONIOSA-N 2 0 310.486 2.780 20 0 DFADRP CC[N@@H+]1CC[C@H](C[NH2+][C@@H](C)Cc2ccc(OC)c(OC)c2C)C1 ZINC000285744912 427326424 /nfs/dbraw/zinc/32/64/24/427326424.db2.gz RIZZBIQRGBBLIU-GOEBONIOSA-N 2 0 320.477 2.875 20 0 DFADRP Cc1nnc(CN2CCC[C@H]2Cn2c(C)nc3ccccc32)o1 ZINC000270356811 427333110 /nfs/dbraw/zinc/33/31/10/427333110.db2.gz QVXRHOZBFNVNCH-AWEZNQCLSA-N 2 0 311.389 2.701 20 0 DFADRP CCN(Cc1nccn1CC)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000183753788 427333897 /nfs/dbraw/zinc/33/38/97/427333897.db2.gz JOBWTXYASNGWOG-GOSISDBHSA-N 2 0 312.461 2.999 20 0 DFADRP CCN(C)c1ccc(CN2CC[C@H](C[NH+]3CCCCC3)C2)cn1 ZINC000191404983 427342023 /nfs/dbraw/zinc/34/20/23/427342023.db2.gz WVBXKKNEUKVANK-GOSISDBHSA-N 2 0 316.493 2.846 20 0 DFADRP CCN(C)c1ccc(CN(C)[C@H]2CC[N@H+](CC)C[C@H]2C)cn1 ZINC000191397012 427342118 /nfs/dbraw/zinc/34/21/18/427342118.db2.gz QICOXXFDTMHWBX-WBVHZDCISA-N 2 0 304.482 2.700 20 0 DFADRP C[C@@H](C[NH2+]C1c2ccccc2-c2ccccc21)N1CC[NH+](C)CC1 ZINC000183795923 427342625 /nfs/dbraw/zinc/34/26/25/427342625.db2.gz AHMMEXSJOQOKBQ-INIZCTEOSA-N 2 0 321.468 2.982 20 0 DFADRP CC(C)[N@H+](C)Cc1cccc(CNC(=O)CC[C@@H]2CC[NH2+]C2)c1 ZINC000261906497 427344219 /nfs/dbraw/zinc/34/42/19/427344219.db2.gz VVCOKJJVKMNLMG-MRXNPFEDSA-N 2 0 317.477 2.533 20 0 DFADRP C[N@H+](CC1CC[NH2+]CC1)[C@@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000262052764 427349523 /nfs/dbraw/zinc/34/95/23/427349523.db2.gz ZVTODQMFEBPQQT-QZTJIDSGSA-N 2 0 306.425 2.977 20 0 DFADRP C[C@@H]1C[C@H](c2ccccc2)[C@H](C)[N@@H+]1C[C@@H](O)CN(C)C1CC1 ZINC000296989991 427296413 /nfs/dbraw/zinc/29/64/13/427296413.db2.gz ZLYWHSVUPFJOBX-PDWMJMLSSA-N 2 0 302.462 2.708 20 0 DFADRP CC(C)[NH+]1CCN(CCC[N@H+](C)Cc2ccc(Cl)nc2)CC1 ZINC000191530252 427372692 /nfs/dbraw/zinc/37/26/92/427372692.db2.gz OBKWUFAASDUAKQ-UHFFFAOYSA-N 2 0 324.900 2.583 20 0 DFADRP CC[N@H+](CCC1CC[NH+](CCc2ccnn2C)CC1)CC1CC1 ZINC000338566162 427382232 /nfs/dbraw/zinc/38/22/32/427382232.db2.gz FSMIKZCRKCUWQE-UHFFFAOYSA-N 2 0 318.509 2.797 20 0 DFADRP C[C@]1(C(=O)Nc2cc(C[NH3+])cc(C(F)(F)F)c2)CCCC[NH2+]1 ZINC000262959421 427385193 /nfs/dbraw/zinc/38/51/93/427385193.db2.gz JXUVVLDSBVQCMJ-CQSZACIVSA-N 2 0 315.339 2.635 20 0 DFADRP CC[N@H+](Cc1ccc(C(=O)N[C@@H]2CC[NH2+][C@@H](C)C2)cc1)C(C)C ZINC000262973317 427386887 /nfs/dbraw/zinc/38/68/87/427386887.db2.gz XVBMIXOCBTUVJY-MAUKXSAKSA-N 2 0 317.477 2.787 20 0 DFADRP CC[N@H+](Cc1ccc(C(=O)N[C@H]2CC[NH2+][C@H](C)C2)cc1)C(C)C ZINC000262973318 427387429 /nfs/dbraw/zinc/38/74/29/427387429.db2.gz XVBMIXOCBTUVJY-QAPCUYQASA-N 2 0 317.477 2.787 20 0 DFADRP CCn1nccc1CC[NH2+][C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000338573263 427389366 /nfs/dbraw/zinc/38/93/66/427389366.db2.gz UFBILZKXCUUKSI-HZPDHXFCSA-N 2 0 304.482 2.688 20 0 DFADRP CCOC(=O)[C@@H]1CC[C@@H]([NH2+]C[C@H](C)C[NH+](C)C)c2ccccc21 ZINC000293639841 427392001 /nfs/dbraw/zinc/39/20/01/427392001.db2.gz KQOGTJSKKRTMDO-BMGDILEWSA-N 2 0 318.461 2.956 20 0 DFADRP Cc1ccc(C[C@@H]([NH2+][C@@H]2CCCN(CCCO)C2)C2CC2)cc1 ZINC000297297880 427392245 /nfs/dbraw/zinc/39/22/45/427392245.db2.gz MCLHZPNEYDSPOB-WOJBJXKFSA-N 2 0 316.489 2.753 20 0 DFADRP CO[C@@H](C)[C@H](C)[NH2+][C@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000191655423 427397749 /nfs/dbraw/zinc/39/77/49/427397749.db2.gz KYBJVUJHGOXVDX-FQQAFBJJSA-N 2 0 302.462 2.910 20 0 DFADRP CC[C@H]([NH2+]C[C@@H](C)CN1CC[NH+](C)CC1)c1cccc(C)c1 ZINC000286009625 427401439 /nfs/dbraw/zinc/40/14/39/427401439.db2.gz JCPDVBQMKOFLNY-MJGOQNOKSA-N 2 0 303.494 2.919 20 0 DFADRP COCCOc1ccc(C[NH2+]Cc2ccc3c[nH+]cn3c2)cc1 ZINC000297497986 427408821 /nfs/dbraw/zinc/40/88/21/427408821.db2.gz LFNLTWWXLNLYPY-UHFFFAOYSA-N 2 0 311.385 2.649 20 0 DFADRP C[N@@H+]1CCC[C@@]2(CCN(Cc3c[nH]nc3-c3ccccc3)C2)C1 ZINC000293704047 427411165 /nfs/dbraw/zinc/41/11/65/427411165.db2.gz RWAKFRRAIHSDJG-LJQANCHMSA-N 2 0 310.445 2.994 20 0 DFADRP FC(F)(F)c1ccnc(CC[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000293711887 427412515 /nfs/dbraw/zinc/41/25/15/427412515.db2.gz MWMLCVWTXVBKQC-HUUCEWRRSA-N 2 0 313.367 2.859 20 0 DFADRP C[C@H](O)C[NH+]1CCC(C[N@H+](C)CCc2cccc(Cl)c2)CC1 ZINC000297568897 427413946 /nfs/dbraw/zinc/41/39/46/427413946.db2.gz CRDDMKMEQWDGSA-HNNXBMFYSA-N 2 0 324.896 2.907 20 0 DFADRP CCN(C)c1ccc(CNC[C@H]2CCC[N@H+](CC(C)C)C2)cn1 ZINC000191452294 427354020 /nfs/dbraw/zinc/35/40/20/427354020.db2.gz FGRAIPVYVYPZNN-GOSISDBHSA-N 2 0 318.509 2.995 20 0 DFADRP CC[NH+]1CCN([C@H]2CC[N@H+](Cc3ccc(C(F)F)cc3)C2)CC1 ZINC000183942252 427361064 /nfs/dbraw/zinc/36/10/64/427361064.db2.gz CSUXZZRIPWSEJL-KRWDZBQOSA-N 2 0 323.431 2.836 20 0 DFADRP CC[C@@H]([NH2+][C@H]1CCCN(CCCO)C1)c1ccc(OC)cc1 ZINC000297236362 427368982 /nfs/dbraw/zinc/36/89/82/427368982.db2.gz IFXNSIHMTUSARD-FUHWJXTLSA-N 2 0 306.450 2.583 20 0 DFADRP CCN(Cc1ccn(C)n1)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000271206113 427451053 /nfs/dbraw/zinc/45/10/53/427451053.db2.gz ZUNHDBBKAROPEN-SFHVURJKSA-N 2 0 312.461 2.764 20 0 DFADRP C[N@H+](Cc1ccccc1)C1CCC([NH2+]CCn2cccn2)CC1 ZINC000340516032 271730881 /nfs/dbraw/zinc/73/08/81/271730881.db2.gz AYFXXYVVJLENHR-UHFFFAOYSA-N 2 0 312.461 2.916 20 0 DFADRP C[C@H]1OCC[C@H]1[NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]12 ZINC000293872096 427470594 /nfs/dbraw/zinc/47/05/94/427470594.db2.gz YGCPONLMJIQDKU-IQZDNPOKSA-N 2 0 300.446 2.664 20 0 DFADRP C[C@@H]([NH3+])[C@@H](C)C(=O)NCc1cccc(C[NH+]2CCCCCC2)c1 ZINC000192104290 427480791 /nfs/dbraw/zinc/48/07/91/427480791.db2.gz ZFVSAWITYFCZNF-HZPDHXFCSA-N 2 0 317.477 2.662 20 0 DFADRP C[C@H]([NH2+]CCCN1CCC[N@H+](C)CC1)[C@H]1C[C@H]1c1ccccc1 ZINC000338780727 427484100 /nfs/dbraw/zinc/48/41/00/427484100.db2.gz AAKOTQJMVYSWCL-SXLOBPIMSA-N 2 0 315.505 2.796 20 0 DFADRP C[C@@H]([NH2+]C[C@@H](O)C[NH+]1CCC(C)CC1)[C@@H]1C[C@@H]1c1ccccc1 ZINC000338783715 427484290 /nfs/dbraw/zinc/48/42/90/427484290.db2.gz HCCBNNVMFNOLQW-RSPOEFSDSA-N 2 0 316.489 2.861 20 0 DFADRP CCCC[N@H+](CC)Cc1cccc(CNC(=O)[C@H](C)[C@@H](C)[NH3+])c1 ZINC000192123292 427486247 /nfs/dbraw/zinc/48/62/47/427486247.db2.gz TXVWVDRALUEXFB-HZPDHXFCSA-N 2 0 319.493 2.908 20 0 DFADRP C[C@H]([NH2+]C1CCN(CC[NH+](C)C)CC1)[C@H]1C[C@@H]1c1ccccc1 ZINC000338691029 427441169 /nfs/dbraw/zinc/44/11/69/427441169.db2.gz WLZCZUNPRUKULY-PWIZWCRZSA-N 2 0 315.505 2.794 20 0 DFADRP C[C@@H]1C[C@H]([NH2+]C[C@](C)(O)C(F)(F)F)CN1Cc1ccccc1 ZINC000271200223 427445416 /nfs/dbraw/zinc/44/54/16/427445416.db2.gz IPPPSPQMQFTSQO-SNPRPXQTSA-N 2 0 316.367 2.552 20 0 DFADRP COc1ccc(C(=O)CCN2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)cc1 ZINC000286411950 427518911 /nfs/dbraw/zinc/51/89/11/427518911.db2.gz LXPCAHNFPQKHMA-SJLPKXTDSA-N 2 0 316.445 2.684 20 0 DFADRP CC[N@@H+]1CCCN(c2cc[nH+]c3cc(OC)c(OC)cc32)CC1 ZINC000298095138 427519909 /nfs/dbraw/zinc/51/99/09/427519909.db2.gz AAHBDRSFAUXPQZ-UHFFFAOYSA-N 2 0 315.417 2.784 20 0 DFADRP c1ccc(N2CC[C@H]([NH2+]C3CCN(c4cc[nH+]cc4)CC3)C2)cc1 ZINC000294121046 427555671 /nfs/dbraw/zinc/55/56/71/427555671.db2.gz DQBLXWKMBRKETE-SFHVURJKSA-N 2 0 322.456 2.919 20 0 DFADRP Cc1ccc(F)cc1CN1CCN(c2ccnc(C)n2)CC1 ZINC000184765880 427535452 /nfs/dbraw/zinc/53/54/52/427535452.db2.gz ZTRPMHNOYAEIHL-UHFFFAOYSA-N 2 0 300.381 2.555 20 0 DFADRP C[C@@H]([NH2+]C[C@H](C)C[NH+](C)C)c1ccc(N2CCCOC2=O)cc1 ZINC000294073435 427539881 /nfs/dbraw/zinc/53/98/81/427539881.db2.gz HYBWQNCHVLUDSR-LSDHHAIUSA-N 2 0 319.449 2.882 20 0 DFADRP COCc1cccc(C[NH2+]C2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000298255040 427549636 /nfs/dbraw/zinc/54/96/36/427549636.db2.gz DWBLIXFVMRPJKY-UHFFFAOYSA-N 2 0 311.429 2.987 20 0 DFADRP C[C@@H]1COCC[C@@H]1[NH2+]CC1CC[NH+](Cc2ccccc2)CC1 ZINC000192503054 427553207 /nfs/dbraw/zinc/55/32/07/427553207.db2.gz UGXLTPMXILMEIO-APWZRJJASA-N 2 0 302.462 2.913 20 0 DFADRP CCCn1cc(C[N@@H+]2CCCN(c3cc[nH+]cc3C)CC2)cn1 ZINC000192571374 427564498 /nfs/dbraw/zinc/56/44/98/427564498.db2.gz LMRFEDAIOVMXOX-UHFFFAOYSA-N 2 0 313.449 2.709 20 0 DFADRP CCOC(=O)c1oc2c(c1C)[C@@H]([NH2+]C1CCN(C)CC1)CCC2 ZINC000192617693 427573545 /nfs/dbraw/zinc/57/35/45/427573545.db2.gz LVEYQZCMOYYMSP-AWEZNQCLSA-N 2 0 320.433 2.826 20 0 DFADRP CC(C)c1nc([C@@H]2CCC[N@H+](C[C@H]3CC[NH2+][C@H](C)C3)C2)no1 ZINC000332342571 427583528 /nfs/dbraw/zinc/58/35/28/427583528.db2.gz REKCOUXXETWRRN-QLFBSQMISA-N 2 0 306.454 2.761 20 0 DFADRP CCc1ccc([C@H]([NH2+]CC2(O)CC[NH+](C)CC2)C(C)C)cc1 ZINC000271774225 427586826 /nfs/dbraw/zinc/58/68/26/427586826.db2.gz UUICJJIXJNLBDE-GOSISDBHSA-N 2 0 304.478 2.992 20 0 DFADRP C[C@H]([NH2+]CC1CC[NH+](Cc2ccccc2)CC1)c1ccnn1C ZINC000192734354 427599041 /nfs/dbraw/zinc/59/90/41/427599041.db2.gz OQHSZRSEKPWBEQ-INIZCTEOSA-N 2 0 312.461 2.983 20 0 DFADRP CC(C)Oc1ccc([C@@H](O)C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc1 ZINC000192873238 427628114 /nfs/dbraw/zinc/62/81/14/427628114.db2.gz JRYJTEBUEXXEAR-PHSGOXPASA-N 2 0 318.461 2.722 20 0 DFADRP O[C@H](C[NH2+]C1CCN(c2cc[nH+]cc2)CC1)C1CCCCC1 ZINC000298522144 427636868 /nfs/dbraw/zinc/63/68/68/427636868.db2.gz RMWAPLYYLZVXJO-GOSISDBHSA-N 2 0 303.450 2.581 20 0 DFADRP C[C@@H]1CCCC[N@@H+]1CCCNC(=O)CC1(C[NH3+])CCCCC1 ZINC000185337842 427637453 /nfs/dbraw/zinc/63/74/53/427637453.db2.gz VLDLYAAWAPAYCT-MRXNPFEDSA-N 2 0 309.498 2.666 20 0 DFADRP CN(C)c1cc[nH+]cc1CNC[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000192935517 427637944 /nfs/dbraw/zinc/63/79/44/427637944.db2.gz MAKLZMNCGDXANJ-SFHVURJKSA-N 2 0 324.472 2.759 20 0 DFADRP Cc1c(C[NH2+][C@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)cnn1C ZINC000272183549 427665577 /nfs/dbraw/zinc/66/55/77/427665577.db2.gz KRAMTENQFKGFRN-CRAIPNDOSA-N 2 0 312.461 2.729 20 0 DFADRP C[NH+](C)[C@@H](CNC(=O)CC1(C[NH3+])CCCCC1)c1ccccc1 ZINC000185352203 427640123 /nfs/dbraw/zinc/64/01/23/427640123.db2.gz OSHUFPLKOHPQRZ-KRWDZBQOSA-N 2 0 317.477 2.705 20 0 DFADRP OC[C@@H]1CCC[N@@H+]1CCCC[NH2+]Cc1cc(Cl)cs1 ZINC000193097199 427665634 /nfs/dbraw/zinc/66/56/34/427665634.db2.gz HTFMNGMMGAYAJM-ZDUSSCGKSA-N 2 0 302.871 2.728 20 0 DFADRP CCC[C@H]([NH2+]CCCN1CCC[N@H+](C)CC1)c1cccnc1 ZINC000185366656 427642568 /nfs/dbraw/zinc/64/25/68/427642568.db2.gz FNHBPIQQHYLAGS-SFHVURJKSA-N 2 0 304.482 2.540 20 0 DFADRP CCC[NH2+][C@@H](C)C(=O)NC[C@H](c1ccccc1)[NH+](CC)CC ZINC000294903906 427666014 /nfs/dbraw/zinc/66/60/14/427666014.db2.gz ZMLIPWGZKFALNM-DOTOQJQBSA-N 2 0 305.466 2.574 20 0 DFADRP C[C@H]([NH2+]C[C@H]1CCOC[C@H]1C)c1ccc(OCC[NH+](C)C)cc1 ZINC000287632470 427658830 /nfs/dbraw/zinc/65/88/30/427658830.db2.gz UGPQEFMAAILBCX-SOLBZPMBSA-N 2 0 320.477 2.950 20 0 DFADRP C[C@H]1CC(C)(C)C[C@@H]1[NH2+]Cc1ccncc1OCC[NH+](C)C ZINC000342413696 272007775 /nfs/dbraw/zinc/00/77/75/272007775.db2.gz IWTMZBCFNXLBOV-HOCLYGCPSA-N 2 0 305.466 2.936 20 0 DFADRP Cc1c(C[NH2+][C@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)cnn1C ZINC000272183553 427664586 /nfs/dbraw/zinc/66/45/86/427664586.db2.gz KRAMTENQFKGFRN-QAPCUYQASA-N 2 0 312.461 2.729 20 0 DFADRP C[C@@H](CN(C)Cc1ccccc1)[NH2+]Cc1ccc2c(c1)nnn2C ZINC000342426221 272010493 /nfs/dbraw/zinc/01/04/93/272010493.db2.gz WGXZGPYNMGOMKE-HNNXBMFYSA-N 2 0 323.444 2.578 20 0 DFADRP C[C@H](CN(C)Cc1ccccc1)[NH2+]Cc1ccc2c(c1)nnn2C ZINC000342426223 272010607 /nfs/dbraw/zinc/01/06/07/272010607.db2.gz WGXZGPYNMGOMKE-OAHLLOKOSA-N 2 0 323.444 2.578 20 0 DFADRP Cc1nccn1CC[N@@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000342602689 272029865 /nfs/dbraw/zinc/02/98/65/272029865.db2.gz ARCRPXXGZOSJGZ-GOSISDBHSA-N 2 0 304.482 2.780 20 0 DFADRP COCC[N@H+](C)CCC[NH2+][C@H]1C[C@@H](Oc2ccccc2)C1(C)C ZINC000342624300 272031803 /nfs/dbraw/zinc/03/18/03/272031803.db2.gz IGVISWCMYWXMNW-ZWKOTPCHSA-N 2 0 320.477 2.790 20 0 DFADRP C[C@@H]1COCC[C@H]1C[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000287678450 427668514 /nfs/dbraw/zinc/66/85/14/427668514.db2.gz WDSFGKDPFBKSMQ-MJGOQNOKSA-N 2 0 316.489 2.956 20 0 DFADRP C[C@H]1CC(C)(C)C[C@@H]1[NH2+]Cc1ccnc(N2CC[NH+](C)CC2)c1 ZINC000193124213 427669339 /nfs/dbraw/zinc/66/93/39/427669339.db2.gz ZXABSYVLAMOKFQ-RDJZCZTQSA-N 2 0 316.493 2.748 20 0 DFADRP C[NH+](C)CCC1CC[NH+](Cc2cnc(C(C)(C)C)nc2)CC1 ZINC000342795538 272055032 /nfs/dbraw/zinc/05/50/32/272055032.db2.gz WQMPLIHELLOIDU-UHFFFAOYSA-N 2 0 304.482 2.938 20 0 DFADRP CN(C(=O)C1(C[NH+](C)C)CCCCC1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000342797305 272055893 /nfs/dbraw/zinc/05/58/93/272055893.db2.gz QVWDSHRIPUSRRG-SJPCQFCGSA-N 2 0 321.509 2.582 20 0 DFADRP C[C@H]([NH2+]Cc1ccc(OC2CC[NH+](C)CC2)cc1)[C@@H]1CCCO1 ZINC000342812195 272057081 /nfs/dbraw/zinc/05/70/81/272057081.db2.gz JSSHGOPDVVTOQJ-KXBFYZLASA-N 2 0 318.461 2.817 20 0 DFADRP Cc1nn(Cc2ccccc2)c(C)c1C[NH2+][C@H]1CN(C)C[C@H]1C ZINC000343062214 272080566 /nfs/dbraw/zinc/08/05/66/272080566.db2.gz FHYFPXQEHQBGKR-KUHUBIRLSA-N 2 0 312.461 2.588 20 0 DFADRP C[C@H]1COCC[C@H]1C[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000287678442 427667997 /nfs/dbraw/zinc/66/79/97/427667997.db2.gz WDSFGKDPFBKSMQ-HKUYNNGSSA-N 2 0 316.489 2.956 20 0 DFADRP CO[C@H]1C[C@H](CN(C)c2cc(C)[nH+]c3ccc(F)cc32)[N@H+](C)C1 ZINC000343300269 272115153 /nfs/dbraw/zinc/11/51/53/272115153.db2.gz DXFFVQHLQIFZQA-CABCVRRESA-N 2 0 317.408 2.838 20 0 DFADRP CCN1C[C@H]([NH2+]CCCCOCCc2ccccc2)[C@@H](C)C1 ZINC000343372880 272129420 /nfs/dbraw/zinc/12/94/20/272129420.db2.gz ZJZQQXFWCQJABX-HKUYNNGSSA-N 2 0 304.478 2.956 20 0 DFADRP CCN1C[C@H](C)[C@H]([NH2+]CCCCOCCc2ccccc2)C1 ZINC000343372885 272129680 /nfs/dbraw/zinc/12/96/80/272129680.db2.gz ZJZQQXFWCQJABX-PKOBYXMFSA-N 2 0 304.478 2.956 20 0 DFADRP C[C@H]([NH2+]CC1=CCCOC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272218237 427676073 /nfs/dbraw/zinc/67/60/73/427676073.db2.gz RMJYHPVYMQDUOI-QFBILLFUSA-N 2 0 300.446 2.833 20 0 DFADRP CCc1c(C)[nH+]c2ccccc2c1NC[C@@H]1C[N@H+](C)CCN1C ZINC000272222370 427676268 /nfs/dbraw/zinc/67/62/68/427676268.db2.gz NVQHQTGTZHUAGT-OAHLLOKOSA-N 2 0 312.461 2.763 20 0 DFADRP CCC[NH+](CCC)CCCC(=O)N1C[C@@H]2CCCC[N@@H+]2C[C@H]1C ZINC000343676418 272198840 /nfs/dbraw/zinc/19/88/40/272198840.db2.gz TXERJIWOIMJLDG-MSOLQXFVSA-N 2 0 323.525 2.974 20 0 DFADRP CCC[NH+](CCC)CCCC(=O)N1C[C@H]2CCCC[N@@H+]2C[C@@H]1C ZINC000343676421 272199204 /nfs/dbraw/zinc/19/92/04/272199204.db2.gz TXERJIWOIMJLDG-ZWKOTPCHSA-N 2 0 323.525 2.974 20 0 DFADRP CCc1ccc(C[N@@H+]2CCN(C3CC[NH+](C)CC3)[C@@H](C)C2)cc1 ZINC000343693493 272202645 /nfs/dbraw/zinc/20/26/45/272202645.db2.gz BWXHOWMOLKJKJL-KRWDZBQOSA-N 2 0 315.505 2.849 20 0 DFADRP CCN1C[C@H](C)[C@H]([NH2+]CC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000343705292 272204886 /nfs/dbraw/zinc/20/48/86/272204886.db2.gz BYKDYZHBRPQRRM-FXAWDEMLSA-N 2 0 315.505 2.828 20 0 DFADRP Cc1cccc(C)c1C[N@@H+]1CCN(C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000343763615 272213974 /nfs/dbraw/zinc/21/39/74/272213974.db2.gz LRFUZZMBFRZFTR-SFHVURJKSA-N 2 0 315.505 2.904 20 0 DFADRP Cc1cccc(C)c1C[N@@H+]1CCN(C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000343763612 272214241 /nfs/dbraw/zinc/21/42/41/272214241.db2.gz LRFUZZMBFRZFTR-GOSISDBHSA-N 2 0 315.505 2.904 20 0 DFADRP CC[NH+](CC)C[C@H](C)NC(=O)[C@H](c1ccccc1)[N@H+](C)CC ZINC000343803767 272222468 /nfs/dbraw/zinc/22/24/68/272222468.db2.gz NGOMOQSOIVSSDD-RDJZCZTQSA-N 2 0 305.466 2.526 20 0 DFADRP C[C@@H]1CCC[C@H](C)[C@H]1[NH2+]Cc1ccncc1OCC[NH+](C)C ZINC000343920962 272238332 /nfs/dbraw/zinc/23/83/32/272238332.db2.gz DJQKNZAXOQIIIJ-HWWDLCQESA-N 2 0 305.466 2.936 20 0 DFADRP C[C@@H]([NH2+]Cc1ccncc1OCC[NH+](C)C)c1ccsc1 ZINC000344009896 272249522 /nfs/dbraw/zinc/24/95/22/272249522.db2.gz ZPEBAPJVLODUOM-CYBMUJFWSA-N 2 0 305.447 2.934 20 0 DFADRP CC[C@@H](C(=O)NC[C@@H](c1ccc(F)cc1)[NH+](C)C)[NH+](CC)CC ZINC000344092795 272262106 /nfs/dbraw/zinc/26/21/06/272262106.db2.gz OWSIFPUKGBZMIY-IRXDYDNUSA-N 2 0 323.456 2.665 20 0 DFADRP C[NH+](C)CCOc1cnccc1C[NH2+][C@H]1CCC[C@H]1C1CC1 ZINC000344106995 272264636 /nfs/dbraw/zinc/26/46/36/272264636.db2.gz UREJQYKVWZPOLP-IRXDYDNUSA-N 2 0 303.450 2.690 20 0 DFADRP CC[NH+]1CCN([C@H](C)C[NH2+][C@H]2CCCc3ccc(F)cc32)CC1 ZINC000344109784 272265050 /nfs/dbraw/zinc/26/50/50/272265050.db2.gz YHDAVHVKOWADPY-BEFAXECRSA-N 2 0 319.468 2.819 20 0 DFADRP CCC[N@H+](CCN1CC[NH+](CC)CC1)Cc1ccc(OC)cc1 ZINC000344151646 272275592 /nfs/dbraw/zinc/27/55/92/272275592.db2.gz SYGLJYVQSOZNNE-UHFFFAOYSA-N 2 0 319.493 2.545 20 0 DFADRP C[N@@H+]1CCC[C@H]1CC[NH+]1CC[C@](CO)(Cc2ccc(F)cc2)C1 ZINC000344171402 272280027 /nfs/dbraw/zinc/28/00/27/272280027.db2.gz RVTYITIDCQMCGX-OALUTQOASA-N 2 0 320.452 2.537 20 0 DFADRP C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](N[C@H]2CC[NH+](C)C[C@H]2C)C1 ZINC000344278129 272303125 /nfs/dbraw/zinc/30/31/25/272303125.db2.gz XBYXBEBOHFIPCO-JFRXWTBNSA-N 2 0 301.478 2.752 20 0 DFADRP Cn1cccc1C[NH2+]Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000344310414 272309333 /nfs/dbraw/zinc/30/93/33/272309333.db2.gz UEIGIARQBUJFLD-UHFFFAOYSA-N 2 0 313.445 2.790 20 0 DFADRP C[C@@H]([NH3+])CCC(=O)N(C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000193313856 427683662 /nfs/dbraw/zinc/68/36/62/427683662.db2.gz DEHNEPPIGZXATQ-SOLBZPMBSA-N 2 0 317.477 2.625 20 0 DFADRP Cc1ccc(C[NH2+]C[C@]2(O)CCN(Cc3ccccc3)C2)s1 ZINC000344526130 272334242 /nfs/dbraw/zinc/33/42/42/272334242.db2.gz IJZKPGHILLTVFV-GOSISDBHSA-N 2 0 316.470 2.783 20 0 DFADRP C[C@@H](C(=O)NC[C@@H](C1CCCCC1)[NH+](C)C)[NH+]1CCCCCC1 ZINC000344593472 272343441 /nfs/dbraw/zinc/34/34/41/272343441.db2.gz DLJCKLORWQKHKZ-WMZOPIPTSA-N 2 0 323.525 2.878 20 0 DFADRP C[C@@H]1CCCC[N@@H+]1CCC(=O)N1CC[NH+](C2CCC2)C[C@@H](C)C1 ZINC000344719594 272359824 /nfs/dbraw/zinc/35/98/24/272359824.db2.gz YMHDFVGOSHJPIE-IAGOWNOFSA-N 2 0 321.509 2.584 20 0 DFADRP CC(C)[NH+]1CCC(O)(C[NH2+][C@H](C)CCc2ccc(O)cc2)CC1 ZINC000344741502 272364884 /nfs/dbraw/zinc/36/48/84/272364884.db2.gz RZPDFESSFPFXIC-MRXNPFEDSA-N 2 0 320.477 2.538 20 0 DFADRP C[C@@H]1C[C@H](N[C@@H]2CC[NH+](C)[C@@H](C)C2)C[N@H+](Cc2ccccc2)C1 ZINC000344775288 272367124 /nfs/dbraw/zinc/36/71/24/272367124.db2.gz WAQLHRYMFHYBRR-BWPNAZKDSA-N 2 0 315.505 2.969 20 0 DFADRP COCCCOc1ccc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000287759594 427686620 /nfs/dbraw/zinc/68/66/20/427686620.db2.gz ZRUQDNBOLIUETI-ZWKOTPCHSA-N 2 0 318.461 2.818 20 0 DFADRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+]Cc1cc(Cl)ccc1F ZINC000185876416 427723910 /nfs/dbraw/zinc/72/39/10/427723910.db2.gz AKTGFFHSFYHRBK-CYBMUJFWSA-N 2 0 313.848 2.595 20 0 DFADRP C[C@@H]1C[N@@H+](CC2CC[NH+](C[C@@H]3CCC=CO3)CC2)C[C@H](C)O1 ZINC000193809175 427714617 /nfs/dbraw/zinc/71/46/17/427714617.db2.gz OURSFYVGURDQDD-JZXOWHBKSA-N 2 0 308.466 2.500 20 0 DFADRP Cn1c(NCc2ccccc2-n2ccnc2)nc2cccc(F)c21 ZINC000337032772 427790731 /nfs/dbraw/zinc/79/07/31/427790731.db2.gz ZPCURIIANLICFQ-UHFFFAOYSA-N 2 0 321.359 3.510 20 0 DFADRP CSCc1cnc(C[NH2+]CC2CC[NH+](C3CC3)CC2)s1 ZINC000339382266 427764737 /nfs/dbraw/zinc/76/47/37/427764737.db2.gz WTXBORFDODKSHZ-UHFFFAOYSA-N 2 0 311.520 2.970 20 0 DFADRP C[C@H](C[NH2+]C1CCN(c2cc[nH+]cc2)CC1)C[NH+]1CCCCC1 ZINC000336865146 427765660 /nfs/dbraw/zinc/76/56/60/427765660.db2.gz UKSSCBXBEKNIJH-QGZVFWFLSA-N 3 0 316.493 2.762 20 0 DFADRP C[N@H+](CCCNC(=O)C[C@H]1CCCC[C@H]1[NH3+])C1CCCCC1 ZINC000336864991 427766203 /nfs/dbraw/zinc/76/62/03/427766203.db2.gz HPVWPYDCPFMNKH-NVXWUHKLSA-N 2 0 309.498 2.665 20 0 DFADRP C[NH+](C)CCOCC[NH2+]Cc1ccc(-c2ccc(F)cc2)o1 ZINC000336866434 427766639 /nfs/dbraw/zinc/76/66/39/427766639.db2.gz WODRNSFKAIPLAW-UHFFFAOYSA-N 2 0 306.381 2.754 20 0 DFADRP CCC[N@H+](CC)Cc1ccc(C(=O)NCC[NH+](C)C2CC2)cc1 ZINC000299626517 427766831 /nfs/dbraw/zinc/76/68/31/427766831.db2.gz FUSQHTNUBPGQBY-UHFFFAOYSA-N 2 0 317.477 2.743 20 0 DFADRP Cc1ccc(NC(=O)CN2CC[C@]3(C2)CCC[N@@H+](C)C3)cc1C ZINC000339433321 427773910 /nfs/dbraw/zinc/77/39/10/427773910.db2.gz NUMBYZBNEQMPAG-LJQANCHMSA-N 2 0 315.461 2.660 20 0 DFADRP C[C@H](C(=O)N1CCC[NH+](CC2CCC2)CC1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000339439575 427776193 /nfs/dbraw/zinc/77/61/93/427776193.db2.gz XAKCBIWQGXEAPY-IXDOHACOSA-N 2 0 321.509 2.582 20 0 DFADRP c1ccc(C[N@H+]2CC[C@H](CNC3CC[NH+](C4CC4)CC3)C2)cc1 ZINC000336716840 427750100 /nfs/dbraw/zinc/75/01/00/427750100.db2.gz PPZLGUZVNCJSNY-GOSISDBHSA-N 2 0 313.489 2.725 20 0 DFADRP C[C@H](C(=O)N1[C@H](C)CCC[C@H]1C)N(C)CCC[NH+]1CCCC1 ZINC000337279870 427829996 /nfs/dbraw/zinc/82/99/96/427829996.db2.gz UTHKLBAMEKAJBO-BRWVUGGUSA-N 2 0 309.498 2.582 20 0 DFADRP CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCC[NH+]1C1CCCC1 ZINC000337311220 427837203 /nfs/dbraw/zinc/83/72/03/427837203.db2.gz CAUHMPZNMVVWJW-MSOLQXFVSA-N 2 0 321.509 2.630 20 0 DFADRP CC[NH+](CC)[C@@H](C(=O)NC[C@H](C)[N@H+](C)C1CC1)c1ccccc1 ZINC000355662244 427840567 /nfs/dbraw/zinc/84/05/67/427840567.db2.gz YYMMKHGYNSCHMJ-MAUKXSAKSA-N 2 0 317.477 2.668 20 0 DFADRP CN(CCC[NH+](C)C)Cc1cc(Br)ccc1F ZINC000337322536 427843362 /nfs/dbraw/zinc/84/33/62/427843362.db2.gz DJFJFBDTUCUKQB-UHFFFAOYSA-N 2 0 303.219 2.972 20 0 DFADRP CC[NH+](CC)CCOCC[NH2+][C@@H]1CCc2ccc(OC)cc2C1 ZINC000349686304 427843648 /nfs/dbraw/zinc/84/36/48/427843648.db2.gz UVVJPRSCMOJAIY-GOSISDBHSA-N 2 0 320.477 2.501 20 0 DFADRP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]CCc1cccc(C(F)(F)F)n1 ZINC000340436642 427846768 /nfs/dbraw/zinc/84/67/68/427846768.db2.gz SPJHFXDSVJZOPF-YPMHNXCESA-N 2 0 301.356 2.573 20 0 DFADRP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]CCc1cccc(C(F)(F)F)n1 ZINC000340436631 427847290 /nfs/dbraw/zinc/84/72/90/427847290.db2.gz SPJHFXDSVJZOPF-DGCLKSJQSA-N 2 0 301.356 2.573 20 0 DFADRP OCC[C@@H]([NH2+]C1CC[NH+](C2CCCCC2)CC1)C1CCOCC1 ZINC000359428514 427849021 /nfs/dbraw/zinc/84/90/21/427849021.db2.gz RXNMVJNKYOHLEM-LJQANCHMSA-N 2 0 324.509 2.551 20 0 DFADRP CC[NH+](CC)CCOCC[NH2+][C@@H]1CCc2ccc(OC)cc21 ZINC000349724662 427849647 /nfs/dbraw/zinc/84/96/47/427849647.db2.gz UQWKYZUVJDJXTB-GOSISDBHSA-N 2 0 306.450 2.631 20 0 DFADRP Cn1cnc2cc(C[N@H+](CCC[NH3+])Cc3ccccc3)ccc21 ZINC000359457977 427860971 /nfs/dbraw/zinc/86/09/71/427860971.db2.gz JSUABNHNMFWYHP-UHFFFAOYSA-N 2 0 308.429 2.924 20 0 DFADRP C[C@@H]1CN(C2CC2)C[C@H]1[NH2+]Cc1ccc(OC(F)F)c(F)c1 ZINC000340504513 427866307 /nfs/dbraw/zinc/86/63/07/427866307.db2.gz KQZIMHPXZKVOHQ-QMTHXVAHSA-N 2 0 314.351 2.999 20 0 DFADRP COc1cc2c(NCC[NH+]3CCSCC3)cc[nH+]c2cc1F ZINC000359476692 427867709 /nfs/dbraw/zinc/86/77/09/427867709.db2.gz CKPNCKZCDBYYAB-UHFFFAOYSA-N 2 0 321.421 2.843 20 0 DFADRP CC[C@@H]([NH2+]CCN1CC[NH+](Cc2ccccc2)CC1)C1CC1 ZINC000359518710 427886095 /nfs/dbraw/zinc/88/60/95/427886095.db2.gz RGVKWHLKFMXRTP-LJQANCHMSA-N 2 0 301.478 2.582 20 0 DFADRP CC(C)[C@@H](C(=O)NCC[C@H](C)[NH+]1CCCCC1)[NH+]1CCCCC1 ZINC000345759661 427891817 /nfs/dbraw/zinc/89/18/17/427891817.db2.gz ZHUTUNYFQLHIDC-ROUUACIJSA-N 2 0 323.525 2.878 20 0 DFADRP [NH3+]CCC[N@H+](CCC(=O)Nc1ccccc1)Cc1ccccc1 ZINC000303988169 427909724 /nfs/dbraw/zinc/90/97/24/427909724.db2.gz MQRRHQUINGRNCP-UHFFFAOYSA-N 2 0 311.429 2.866 20 0 DFADRP C[N@@H+]1CCC[C@H](CNC(N)=[NH2+])[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000304265043 427921054 /nfs/dbraw/zinc/92/10/54/427921054.db2.gz VBCAVCDSFPUEQS-DGCLKSJQSA-N 2 0 314.355 2.571 20 0 DFADRP CC[N@H+](CCN[C@@H]1CC[NH+](C)[C@H](c2ccccc2)C1)C1CC1 ZINC000340223305 427957931 /nfs/dbraw/zinc/95/79/31/427957931.db2.gz QLNDKMYAUNTWAY-MJGOQNOKSA-N 2 0 301.478 2.896 20 0 DFADRP C[C@H](C[NH2+][C@H](C)c1cccc(C2CC2)c1)N1CC[NH+](C)CC1 ZINC000340227874 427959492 /nfs/dbraw/zinc/95/94/92/427959492.db2.gz FQQKXRQWJRCUDU-HZPDHXFCSA-N 2 0 301.478 2.851 20 0 DFADRP CCO[C@@H]1C[C@H]([NH2+]C[C@H]2CC[N@H+](CC)C2)[C@@H]1Oc1ccccc1 ZINC000359660902 427959816 /nfs/dbraw/zinc/95/98/16/427959816.db2.gz MMEWTQYUGRGFCM-LULLPPNCSA-N 2 0 318.461 2.543 20 0 DFADRP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@@H](C)CCCC(F)(F)F)CC1 ZINC000359659770 427960137 /nfs/dbraw/zinc/96/01/37/427960137.db2.gz AQIORGSSABAHOW-CABCVRRESA-N 2 0 323.447 2.971 20 0 DFADRP C[C@@H]1[C@H]([NH2+]CC2CC[NH+](C)CC2)CCCN1Cc1ccccc1 ZINC000340228662 427961007 /nfs/dbraw/zinc/96/10/07/427961007.db2.gz LYRNPXFFYGTTCH-YLJYHZDGSA-N 2 0 315.505 2.971 20 0 DFADRP CCC[C@H](C)CC(=O)N(CC[NH+](C)C)C[C@H]1CCC[N@@H+]1CC ZINC000337567133 427962252 /nfs/dbraw/zinc/96/22/52/427962252.db2.gz ALINYKFLXQPRMK-DLBZAZTESA-N 2 0 311.514 2.687 20 0 DFADRP CO[C@]1(C[NH2+]CC(C)(C)C[N@H+](C)Cc2ccccc2)CCOC1 ZINC000359662467 427962354 /nfs/dbraw/zinc/96/23/54/427962354.db2.gz HHFRXHZNFBHUIY-IBGZPJMESA-N 2 0 320.477 2.540 20 0 DFADRP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@@H](C)c1cccc(C2CC2)c1 ZINC000340236287 427963646 /nfs/dbraw/zinc/96/36/46/427963646.db2.gz KENFZQSKTGGYNH-CVEARBPZSA-N 2 0 301.478 2.851 20 0 DFADRP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1N[C@@H]1CC[NH+](C)[C@H](c2ccccc2)C1 ZINC000340263439 427969754 /nfs/dbraw/zinc/96/97/54/427969754.db2.gz VXKBFCBSVJTXGQ-BEKAIBRUSA-N 2 0 313.489 2.894 20 0 DFADRP C[C@H]([NH3+])C1CC[NH+](Cc2nc3cc(Cl)ccc3n2C)CC1 ZINC000347022989 272712575 /nfs/dbraw/zinc/71/25/75/272712575.db2.gz OYZIXXWNPKWSSU-NSHDSACASA-N 2 0 306.841 2.786 20 0 DFADRP C[C@H]([NH3+])C1CC[NH+](Cc2cc(O)ccc2Br)CC1 ZINC000347081314 272722082 /nfs/dbraw/zinc/72/20/82/272722082.db2.gz XWCSOQYYLBTWIC-JTQLQIEISA-N 2 0 313.239 2.714 20 0 DFADRP Cc1cnc(C[NH2+]CC2CC[NH+](Cc3ccccc3)CC2)n1C ZINC000341055745 427984356 /nfs/dbraw/zinc/98/43/56/427984356.db2.gz YHQQPZFULUATCO-UHFFFAOYSA-N 2 0 312.461 2.730 20 0 DFADRP Cc1c[nH+]ccc1NCCN1CCc2c(Cl)cccc2C1 ZINC000359716191 427985561 /nfs/dbraw/zinc/98/55/61/427985561.db2.gz MHUJKNAZDMBGGP-UHFFFAOYSA-N 2 0 301.821 2.936 20 0 DFADRP CCOc1ccc(CC[NH2+][C@@H]2CC[N@H+](C)C[C@H]2C)cc1OCC ZINC000359594435 427927822 /nfs/dbraw/zinc/92/78/22/427927822.db2.gz UIAJLFZXFUUNNU-NVXWUHKLSA-N 2 0 320.477 2.956 20 0 DFADRP CC(C)(O)C[N@@H+]1CCCN(c2ccnc3ccsc32)CC1 ZINC000376940623 428028421 /nfs/dbraw/zinc/02/84/21/428028421.db2.gz IWDUIVMMTCPRCW-UHFFFAOYSA-N 2 0 305.447 2.579 20 0 DFADRP CCC1(C[NH2+]C2CCN(Cc3cccnc3)CC2)CCOCC1 ZINC000341341071 428038791 /nfs/dbraw/zinc/03/87/91/428038791.db2.gz AYMNZVRTYHVUFZ-UHFFFAOYSA-N 2 0 317.477 2.842 20 0 DFADRP Cc1nccn1CCCC[NH2+][C@@H]1c2ccccc2CC[C@H]1CO ZINC000377010483 428041048 /nfs/dbraw/zinc/04/10/48/428041048.db2.gz AQHJHRQMFBNJDB-HKUYNNGSSA-N 2 0 313.445 2.857 20 0 DFADRP COc1cc2[nH+]ccc(N[C@H]3CCC[N@H+](C)[C@@H]3C)c2cc1OC ZINC000413233384 427998844 /nfs/dbraw/zinc/99/88/44/427998844.db2.gz DFIJDQHLSFGCLA-OCCSQVGLSA-N 2 0 315.417 2.569 20 0 DFADRP COc1cc2[nH+]ccc(N3CC[NH+]4CCC3CC4)c2cc1OC ZINC000413257249 428002699 /nfs/dbraw/zinc/00/26/99/428002699.db2.gz NIRKGFXNOGOXAV-UHFFFAOYSA-N 2 0 313.401 2.536 20 0 DFADRP CCOc1ccc(OCC[NH+]2CCC(C[NH+](C)C)CC2)cc1 ZINC000341186091 428003808 /nfs/dbraw/zinc/00/38/08/428003808.db2.gz LRZKURYDCUBYHB-UHFFFAOYSA-N 2 0 306.450 2.738 20 0 DFADRP Cc1ccc2oc(N(CCC[NH+](C)C)CCC[NH+](C)C)nc2c1 ZINC000359768082 428011234 /nfs/dbraw/zinc/01/12/34/428011234.db2.gz QCWNSMLAWOHOKF-UHFFFAOYSA-N 2 0 318.465 2.846 20 0 DFADRP CCC[N@H+](CC)C[C@H](C)NC(=O)[C@H](c1ccccc1)[NH+](C)CC ZINC000359776134 428014696 /nfs/dbraw/zinc/01/46/96/428014696.db2.gz VQADGZMMRFRDSX-WMZOPIPTSA-N 2 0 319.493 2.916 20 0 DFADRP CCC[C@H]([NH2+]C[C@@H]1CN2CCCC[C@H]2CO1)c1cccnc1 ZINC000376893266 428020164 /nfs/dbraw/zinc/02/01/64/428020164.db2.gz NNPIOSIUWHDJOT-KSZLIROESA-N 2 0 303.450 2.766 20 0 DFADRP CCC[NH+](CCC)CCCC(=O)N1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000356233439 428080353 /nfs/dbraw/zinc/08/03/53/428080353.db2.gz OMSKCXQJQRGZPR-IBGZPJMESA-N 2 0 323.525 2.833 20 0 DFADRP Cn1cc(C[NH+]2CCC3(CC[N@H+](Cc4ccccc4)C3)CC2)cn1 ZINC000377196089 428082002 /nfs/dbraw/zinc/08/20/02/428082002.db2.gz GTHNDSKLOJIHCX-UHFFFAOYSA-N 2 0 324.472 2.908 20 0 DFADRP C1C[N@@H+]2CCCC[C@@H]2[C@H]1NC1CC[NH+](C2CCCCC2)CC1 ZINC000359940922 428085679 /nfs/dbraw/zinc/08/56/79/428085679.db2.gz IZOZHGRKQZQVEM-RBUKOAKNSA-N 2 0 305.510 3.000 20 0 DFADRP CCC[C@H](C(=O)Nc1cccc(CC[N@H+](C)C2CC2)c1)[NH+](C)C ZINC000341538944 428096364 /nfs/dbraw/zinc/09/63/64/428096364.db2.gz YAMTZSYFIVNNHB-GOSISDBHSA-N 2 0 317.477 2.992 20 0 DFADRP C[C@@H]([NH3+])[C@H]1CC[N@H+](Cc2ccc(OCc3ccncc3)cc2)C1 ZINC000351859266 428112469 /nfs/dbraw/zinc/11/24/69/428112469.db2.gz GEDKBYKBFLLWJK-QAPCUYQASA-N 2 0 311.429 2.830 20 0 DFADRP CC[C@H](C(=O)N[C@@H](C[N@H+](C)Cc1ccccc1)C(C)C)[NH+](C)C ZINC000413717082 428117409 /nfs/dbraw/zinc/11/74/09/428117409.db2.gz VLBCSKFDAWYRAB-ZWKOTPCHSA-N 2 0 319.493 2.599 20 0 DFADRP CC(C)[C@@H]1C[C@H]([NH2+]C2CC[NH+](C[C@H]3CCOC3)CC2)CS1 ZINC000377388227 428118618 /nfs/dbraw/zinc/11/86/18/428118618.db2.gz XDXFXQCDJCKVMZ-PVAVHDDUSA-N 2 0 312.523 2.607 20 0 DFADRP CC1=C[C@@H](C)C[C@H](C[N@H+](C)CCN(C)C2CC[NH+](C)CC2)C1 ZINC000356321544 428125589 /nfs/dbraw/zinc/12/55/89/428125589.db2.gz QJASRKWRORFTIO-AEFFLSMTSA-N 2 0 307.526 2.937 20 0 DFADRP COc1cccc([C@@H](C)[NH2+][C@H]2CCN(C3CC[NH+](C)CC3)C2)c1 ZINC000370110582 428137061 /nfs/dbraw/zinc/13/70/61/428137061.db2.gz ISSBBPJGVUQIPJ-WBVHZDCISA-N 2 0 317.477 2.514 20 0 DFADRP Cc1ccc2ncc(C[N@H+](CCC[NH3+])CC3CCCC3)n2c1 ZINC000352545157 428144812 /nfs/dbraw/zinc/14/48/12/428144812.db2.gz GSVYHISLVFXNMS-UHFFFAOYSA-N 2 0 300.450 2.984 20 0 DFADRP C[C@H](O)c1ncc(CN2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)s1 ZINC000377549237 428154647 /nfs/dbraw/zinc/15/46/47/428154647.db2.gz KHHJETZCLOSMHX-ZENOOKHLSA-N 2 0 321.490 2.645 20 0 DFADRP C[NH+](C)CC(C)(C)NC(=O)c1cccc(C[NH+]2CCCCC2)c1 ZINC000413858446 428156936 /nfs/dbraw/zinc/15/69/36/428156936.db2.gz JBWIQWVMJVGYQP-UHFFFAOYSA-N 2 0 317.477 2.743 20 0 DFADRP CC[C@H](C(=O)Nc1ccc(C[NH+](C)C)cc1F)[NH+](CC)CC ZINC000413941660 428171931 /nfs/dbraw/zinc/17/19/31/428171931.db2.gz VDPAPKBWYHIBQZ-MRXNPFEDSA-N 2 0 309.429 2.946 20 0 DFADRP Cc1cccc(C[N@H+]2CCC[C@@H](CN3CC[NH+](C)CC3)C2)c1C ZINC000377623449 428174438 /nfs/dbraw/zinc/17/44/38/428174438.db2.gz JLFZACOOCCJGGC-IBGZPJMESA-N 2 0 315.505 2.763 20 0 DFADRP Cc1cccc(C[N@@H+](C)[C@@H]2CCN(C3CC[NH+](C)CC3)C2)c1C ZINC000377628940 428175886 /nfs/dbraw/zinc/17/58/86/428175886.db2.gz OYHFCHFSJPSFJK-HXUWFJFHSA-N 2 0 315.505 2.904 20 0 DFADRP CC[C@H]([NH2+]Cc1ccccc1C[N@@H+]1CC[C@H](O)C1)[C@@H]1C[C@@H]1C ZINC000414105361 428207477 /nfs/dbraw/zinc/20/74/77/428207477.db2.gz GPYGQUFAKRPGJP-FZDIXFNVSA-N 2 0 302.462 2.777 20 0 DFADRP COc1ccc([C@H](C)[NH2+]CCCN2CCC[N@H+](C)CC2)c(C)c1 ZINC000414123111 428211019 /nfs/dbraw/zinc/21/10/19/428211019.db2.gz OFUAEYOAMVAWQG-KRWDZBQOSA-N 2 0 319.493 2.682 20 0 DFADRP C[C@H]([NH2+]C[C@@H]1CC[N@H+](CCc2ccccc2)C1)[C@@H]1CCCO1 ZINC000346565406 428220576 /nfs/dbraw/zinc/22/05/76/428220576.db2.gz SGONGXINHZEMJZ-WDSOQIARSA-N 2 0 302.462 2.708 20 0 DFADRP CN(C)c1cc[nH+]cc1C(=O)NCC1([NH+](C)C)CCCCCC1 ZINC000352734239 428225300 /nfs/dbraw/zinc/22/53/00/428225300.db2.gz KFPLCTSBFKVGTE-UHFFFAOYSA-N 2 0 318.465 2.532 20 0 DFADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]C2CCC(OC)CC2)[C@@H](C)C1 ZINC000414180215 428226681 /nfs/dbraw/zinc/22/66/81/428226681.db2.gz LLENMVKYZBATIC-BFWZDYSYSA-N 2 0 312.498 2.671 20 0 DFADRP Cc1ccc(C[NH+]2CCN(C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)s1 ZINC000377700556 428201488 /nfs/dbraw/zinc/20/14/88/428201488.db2.gz RYQZUKIEUPLHIT-SJPCQFCGSA-N 2 0 319.518 2.799 20 0 DFADRP COc1ccc(C[C@H](C)[NH2+][C@@H](CC[NH+](C)C)C(C)(C)C)cn1 ZINC000414082330 428201989 /nfs/dbraw/zinc/20/19/89/428201989.db2.gz FMWDMBNMXPHPOW-HOCLYGCPSA-N 2 0 307.482 2.977 20 0 DFADRP CC[C@@H](O)C[NH+]1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000370651486 428264363 /nfs/dbraw/zinc/26/43/63/428264363.db2.gz QIEUVCSAQAGUEP-GOSISDBHSA-N 2 0 302.462 2.745 20 0 DFADRP CC[N@@H+]1CC[C@H]([NH2+][C@H]2CCN(c3ccc(F)cc3)C2)[C@H](C)C1 ZINC000414344227 428264870 /nfs/dbraw/zinc/26/48/70/428264870.db2.gz KIVZSCKUVKEFLM-HFTRVMKXSA-N 2 0 305.441 2.724 20 0 DFADRP CCC[NH+]1CCC([NH2+][C@H]2CCN(c3ccc(F)cc3)C2)CC1 ZINC000414346628 428266069 /nfs/dbraw/zinc/26/60/69/428266069.db2.gz MJDSGICUMXVKAY-KRWDZBQOSA-N 2 0 305.441 2.868 20 0 DFADRP C[C@@H]1CCC[N@H+](CCCC[NH2+]Cc2ncc(CN(C)C)s2)C1 ZINC000352825603 428266578 /nfs/dbraw/zinc/26/65/78/428266578.db2.gz SRTLNMKARQMOFA-OAHLLOKOSA-N 2 0 324.538 2.806 20 0 DFADRP [NH3+]CC1CC[NH+](Cc2ccccc2OCC(F)(F)F)CC1 ZINC000346686259 428272855 /nfs/dbraw/zinc/27/28/55/428272855.db2.gz JYYDCJDFDCWKNV-UHFFFAOYSA-N 2 0 302.340 2.798 20 0 DFADRP CC(C)[C@@H]([NH3+])CC[N@H+](C)Cc1cn(C)nc1-c1ccccc1 ZINC000346685459 428273315 /nfs/dbraw/zinc/27/33/15/428273315.db2.gz SIHILQBOAQDZPO-KRWDZBQOSA-N 2 0 300.450 2.892 20 0 DFADRP CCC(CC)(CC)C[N@@H+]1CCC[C@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000346684452 428273344 /nfs/dbraw/zinc/27/33/44/428273344.db2.gz PUXHTIQGJIYJHW-IAGOWNOFSA-N 2 0 323.525 2.783 20 0 DFADRP CC[NH+]1CCN(C[C@H](C)C[NH2+]C[C@@H]2CC(C)=C[C@@H](C)C2)CC1 ZINC000352836667 428274218 /nfs/dbraw/zinc/27/42/18/428274218.db2.gz WFSNHLZBXIXMJY-QRQLOZEOSA-N 2 0 307.526 2.842 20 0 DFADRP CCn1cc(CC[NH+]2CCC3(C[C@@H]3C[N@H+](C)C3CC3)CC2)cn1 ZINC000370744006 428288616 /nfs/dbraw/zinc/28/86/16/428288616.db2.gz ZUIIMVOHUIZIKL-QGZVFWFLSA-N 2 0 316.493 2.642 20 0 DFADRP C[N@@H+]1CC[C@@H]2[C@H](CCCN2Cc2cnc([C@H]3CCCO3)s2)C1 ZINC000377839125 428243211 /nfs/dbraw/zinc/24/32/11/428243211.db2.gz GJQQAOGBBKSQRN-FVQBIDKESA-N 2 0 321.490 2.911 20 0 DFADRP C[C@@H](C[NH2+]Cc1ncc(CN(C)C)s1)Oc1ccc(F)cc1 ZINC000352774838 428243375 /nfs/dbraw/zinc/24/33/75/428243375.db2.gz RJXYISIZSKSGHX-LBPRGKRZSA-N 2 0 323.437 2.901 20 0 DFADRP Cc1nn(-c2ccc(F)cc2)c(C)c1C[N@H+]1CC[C@H]([C@H](C)[NH3+])C1 ZINC000346631809 428248785 /nfs/dbraw/zinc/24/87/85/428248785.db2.gz CLJRWHUBONXJOX-WFASDCNBSA-N 2 0 316.424 2.797 20 0 DFADRP C[N@@H+](CC1=Cc2ccccc2OC1)C[C@@H]1CCn2ccnc2C1 ZINC000377869856 428250325 /nfs/dbraw/zinc/25/03/25/428250325.db2.gz RDKYMSYWXZSUEU-OAHLLOKOSA-N 2 0 309.413 2.853 20 0 DFADRP C[C@@H]1C[C@H](NC[C@@H]2CC[NH+](C)[C@H]2c2cccs2)CC[N@@H+]1C ZINC000370620102 428254898 /nfs/dbraw/zinc/25/48/98/428254898.db2.gz KOMKAZMPNICXGC-JYYAWHABSA-N 2 0 307.507 2.813 20 0 DFADRP Cc1cccc(C[NH+]2CCC(C[NH+]3C[C@H](C)O[C@@H](C)C3)CC2)n1 ZINC000346654047 428258414 /nfs/dbraw/zinc/25/84/14/428258414.db2.gz YFEIWXRXEBAXBS-IRXDYDNUSA-N 2 0 317.477 2.711 20 0 DFADRP CC[N@@H+]1CC[C@@H](NC2CC[NH+]([C@@H](C)Cc3ccccc3)CC2)C1 ZINC000414330924 428260860 /nfs/dbraw/zinc/26/08/60/428260860.db2.gz CKUQEFACDPWXJH-FXAWDEMLSA-N 2 0 315.505 2.766 20 0 DFADRP CC(C)(C)NC(=O)CC[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000414330999 428261152 /nfs/dbraw/zinc/26/11/52/428261152.db2.gz JTWBJTYNLTXASP-UHFFFAOYSA-N 2 0 309.498 2.678 20 0 DFADRP [NH3+][C@@H]1CCC[C@H]2C[N@H+](CCC(=O)Nc3ccc(Cl)cc3)C[C@@H]21 ZINC000342097465 428298236 /nfs/dbraw/zinc/29/82/36/428298236.db2.gz HSKCDRZWHZLESL-VBNZEHGJSA-N 2 0 321.852 2.728 20 0 DFADRP CC[C@@]1(C(=O)NCc2ccccc2C[N@H+](C)C(C)C)CC[NH2+]C1 ZINC000370843096 428305644 /nfs/dbraw/zinc/30/56/44/428305644.db2.gz MDFXOTPRGBZZGA-LJQANCHMSA-N 2 0 317.477 2.533 20 0 DFADRP CC[NH+](CC)[C@@H](CNC(=O)[C@]1(CC)CC[NH2+]C1)c1ccsc1 ZINC000370847310 428308117 /nfs/dbraw/zinc/30/81/17/428308117.db2.gz RAGNYQMEQVZSOW-DOTOQJQBSA-N 2 0 323.506 2.637 20 0 DFADRP C[C@H]1[C@H](NC2CC[NH+](CCc3ccccc3)CC2)CCC[N@@H+]1C ZINC000346795727 428322520 /nfs/dbraw/zinc/32/25/20/428322520.db2.gz MSALCEPUEOZNCQ-FXAWDEMLSA-N 2 0 315.505 2.766 20 0 DFADRP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+]CC(C)(C)OCC1CC1 ZINC000414504901 428324158 /nfs/dbraw/zinc/32/41/58/428324158.db2.gz PPGCUDALTBQDGH-UHFFFAOYSA-N 2 0 314.433 2.871 20 0 DFADRP C[C@@H](C(=O)N1CCCc2cc(C[NH3+])ccc21)[C@@H]([NH3+])c1ccccc1 ZINC000378187082 428328417 /nfs/dbraw/zinc/32/84/17/428328417.db2.gz HDNPOQRIAOPUKR-AUUYWEPGSA-N 2 0 323.440 2.761 20 0 DFADRP C[C@H]([NH3+])c1ccc(NC(=O)C2([NH+](C)C)Cc3ccccc3C2)cc1 ZINC000378187704 428328723 /nfs/dbraw/zinc/32/87/23/428328723.db2.gz OVSFPACMOMUXPE-AWEZNQCLSA-N 2 0 323.440 2.744 20 0 DFADRP C[N@@H+]1CCCC[C@H]1CCC(=O)N1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000352971980 428331252 /nfs/dbraw/zinc/33/12/52/428331252.db2.gz MRMUTZXLNUHUBZ-ZWKOTPCHSA-N 2 0 321.509 2.728 20 0 DFADRP C[C@]1(C[NH2+][C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)CCOC1 ZINC000356840453 428335619 /nfs/dbraw/zinc/33/56/19/428335619.db2.gz FLTZJFRJZSOUGP-VNTMZGSJSA-N 2 0 314.473 2.913 20 0 DFADRP [NH3+][C@@H]1CC[C@@H]2C[N@H+](Cc3cnn(-c4ccc(Cl)cc4)c3)C[C@@H]12 ZINC000346832617 428337431 /nfs/dbraw/zinc/33/74/31/428337431.db2.gz LQBCJVSZERDMQT-KBRIMQKVSA-N 2 0 316.836 2.695 20 0 DFADRP C[NH+](C)CC1CC[NH+](C[C@@H](O)Cc2cccc(Cl)c2)CC1 ZINC000346832119 428337554 /nfs/dbraw/zinc/33/75/54/428337554.db2.gz JKZYGDRWSGCOMA-KRWDZBQOSA-N 2 0 310.869 2.517 20 0 DFADRP COc1ccc([C@H]2CCC[N@@H+]2C[C@@H]2CCC[NH2+]C2)cc1OC ZINC000346837219 428339212 /nfs/dbraw/zinc/33/92/12/428339212.db2.gz PQJGXBAXEIFCFS-GDBMZVCRSA-N 2 0 304.434 2.840 20 0 DFADRP C[C@@H]([NH2+]CCc1nccn1Cc1ccccc1)[C@@H]1CCCOC1 ZINC000356858246 428339472 /nfs/dbraw/zinc/33/94/72/428339472.db2.gz XFONKUXIFSDGCL-SJLPKXTDSA-N 2 0 313.445 2.879 20 0 DFADRP C[C@@H]([NH2+]CC1(N2CCSCC2)CCCC1)[C@@H]1CCCOC1 ZINC000356858425 428340405 /nfs/dbraw/zinc/34/04/05/428340405.db2.gz XQPBAFOKYWSELS-HZPDHXFCSA-N 2 0 312.523 2.753 20 0 DFADRP C[N@H+](Cc1ccccc1)CC(C)(C)CN1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000346840106 428343135 /nfs/dbraw/zinc/34/31/35/428343135.db2.gz ZIVGZRSTVWGNTF-OTWHNJEPSA-N 2 0 315.505 2.814 20 0 DFADRP Cc1nn(-c2ccccc2)c(C)c1C[N@@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000346848972 428344366 /nfs/dbraw/zinc/34/43/66/428344366.db2.gz FXHIUAXUEAFCRF-SNRMKQJTSA-N 2 0 310.445 2.658 20 0 DFADRP [NH3+][C@@H]1CCC[C@H]2C[N@H+](Cc3c[nH]nc3-c3ccccc3F)C[C@@H]21 ZINC000346846268 428345284 /nfs/dbraw/zinc/34/52/84/428345284.db2.gz NTSFERSVQWBSAR-YLQAJVPDSA-N 2 0 314.408 2.775 20 0 DFADRP COc1cc2c(c(C[N@@H+]3C[C@@H]4CCC[C@H]([NH3+])[C@H]4C3)c1)O[C@H](C)C2 ZINC000346848951 428345689 /nfs/dbraw/zinc/34/56/89/428345689.db2.gz FTICCJXVLFVAMK-QISBLDNZSA-N 2 0 316.445 2.578 20 0 DFADRP COc1ccc(C[N@@H+]2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)cc1OCC(C)C ZINC000346855621 428347190 /nfs/dbraw/zinc/34/71/90/428347190.db2.gz UYZUNPCKFWVYHC-BBWFWOEESA-N 2 0 318.461 2.899 20 0 DFADRP COc1ccc(-c2cnc(CN3CC[C@]4(CC[NH2+]C4)C3)o2)cc1 ZINC000360566206 428351683 /nfs/dbraw/zinc/35/16/83/428351683.db2.gz XZBKRZJCCCYWRG-SFHVURJKSA-N 2 0 313.401 2.536 20 0 DFADRP CC(C)(C)c1ccccc1NC(=O)CN1CC[C@@]2(CC[NH2+]C2)C1 ZINC000360568371 428351929 /nfs/dbraw/zinc/35/19/29/428351929.db2.gz JZMJVPTVGKBCSU-LJQANCHMSA-N 2 0 315.461 2.608 20 0 DFADRP CC(C)[N@H+](C[C@H](O)COc1ccccc1)C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000414741835 428389845 /nfs/dbraw/zinc/38/98/45/428389845.db2.gz LDSLHHVMYQUQKS-KURKYZTESA-N 2 0 320.477 2.525 20 0 DFADRP CC[C@H](c1ccccc1)[N@@H+](CC(=O)OC)CC1CC[NH2+]CC1 ZINC000346975525 428391164 /nfs/dbraw/zinc/39/11/64/428391164.db2.gz JGQGJNIZEIJWHS-QGZVFWFLSA-N 2 0 304.434 2.612 20 0 DFADRP C[C@@H]1C[C@H](C[N@@H+]2CCC[C@H](C(=O)Nc3ccccc3)C2)CC[NH2+]1 ZINC000414743320 428391639 /nfs/dbraw/zinc/39/16/39/428391639.db2.gz VBMUOQKTBVFAFF-ZACQAIPSSA-N 2 0 315.461 2.725 20 0 DFADRP COC(=O)CCC[N@@H+](Cc1ccccc1)C[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000414751331 428392085 /nfs/dbraw/zinc/39/20/85/428392085.db2.gz INMTYYYXZNMPIB-FUHWJXTLSA-N 2 0 318.461 2.830 20 0 DFADRP CCC(C)(C)[NH2+][C@@H](C)C(=O)N[C@@H]1CC[N@H+](CC2CCCC2)C1 ZINC000346983331 428394333 /nfs/dbraw/zinc/39/43/33/428394333.db2.gz PQMLCZPINISVQN-GOEBONIOSA-N 2 0 309.498 2.534 20 0 DFADRP COc1ccc(CC[C@@H]2CCCC[N@@H+]2CCC[NH3+])cc1OC ZINC000414755489 428395436 /nfs/dbraw/zinc/39/54/36/428395436.db2.gz ZGAGEMJOSBJULB-INIZCTEOSA-N 2 0 306.450 2.840 20 0 DFADRP COCCCOc1cccc(C[N@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)c1 ZINC000414766990 428397067 /nfs/dbraw/zinc/39/70/67/428397067.db2.gz IZKSCIUDZAQLJO-HDICACEKSA-N 2 0 318.461 2.533 20 0 DFADRP CCC(C)(C)[NH2+][C@H](C)C(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000357117103 428397751 /nfs/dbraw/zinc/39/77/51/428397751.db2.gz CFIKJTSKQHNDRY-VYDXJSESSA-N 2 0 321.509 2.628 20 0 DFADRP CCC(C)(C)[NH2+][C@H](C)C(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000357117101 428397775 /nfs/dbraw/zinc/39/77/75/428397775.db2.gz CFIKJTSKQHNDRY-HLLBOEOZSA-N 2 0 321.509 2.628 20 0 DFADRP CCCN1CCC[C@@H]1C[NH2+][C@@H]1CN(Cc2ccccc2)C[C@H]1C ZINC000353141361 428399438 /nfs/dbraw/zinc/39/94/38/428399438.db2.gz QMFNTJQEWSCTLV-MISYRCLQSA-N 2 0 315.505 2.971 20 0 DFADRP c1nn(-c2ccccc2)cc1C[N@@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000414774046 428400026 /nfs/dbraw/zinc/40/00/26/428400026.db2.gz FCWZPWGANTXAHT-ZWKOTPCHSA-N 2 0 310.445 2.694 20 0 DFADRP C[N@@H+](Cc1cncc(F)c1)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000347003044 428402170 /nfs/dbraw/zinc/40/21/70/428402170.db2.gz XKBZJFVGZTYMRK-UHFFFAOYSA-N 2 0 314.408 2.964 20 0 DFADRP Cc1cccc2c(NC[C@@H](C)C[NH+]3CCOCC3)c(C)c[nH+]c12 ZINC000360695281 428404354 /nfs/dbraw/zinc/40/43/54/428404354.db2.gz OXIPKFANLIGWHW-CQSZACIVSA-N 2 0 313.445 2.654 20 0 DFADRP CCc1cccc(F)c1C[N@@H+]1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000414784285 428405763 /nfs/dbraw/zinc/40/57/63/428405763.db2.gz RCSROJNVYAFHLA-OAHLLOKOSA-N 2 0 306.425 2.575 20 0 DFADRP FC(F)(F)c1ccc(-c2n[nH]cc2C[NH2+]C2CC[NH2+]CC2)cc1 ZINC000414783271 428406239 /nfs/dbraw/zinc/40/62/39/428406239.db2.gz QJPRUVKVDRINNJ-UHFFFAOYSA-N 2 0 324.350 2.937 20 0 DFADRP c1cc(-c2ccccc2)sc1C[NH2+]CCCN1CC[NH2+]CC1 ZINC000414782928 428406299 /nfs/dbraw/zinc/40/62/99/428406299.db2.gz PTTBZBGNCJTAIS-UHFFFAOYSA-N 2 0 315.486 2.800 20 0 DFADRP Cc1ccc(NC(=O)C[C@H](C)[NH2+]C[C@@H]([NH3+])C(C)C)c(Cl)c1 ZINC000414788678 428409029 /nfs/dbraw/zinc/40/90/29/428409029.db2.gz DSVADYKPGDRPTK-GXTWGEPZSA-N 2 0 311.857 2.938 20 0 DFADRP COc1cc(C)c(C[N@@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)c(C)n1 ZINC000414789671 428410215 /nfs/dbraw/zinc/41/02/15/428410215.db2.gz YKSSZUSSGNTWQL-HOTGVXAUSA-N 2 0 303.450 2.529 20 0 DFADRP CC(C)Oc1ccccc1C[N@@H+]1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000414792804 428412520 /nfs/dbraw/zinc/41/25/20/428412520.db2.gz SMNVGRKUBCMULZ-KRWDZBQOSA-N 2 0 318.461 2.661 20 0 DFADRP C[NH2+]C[C@@H]1CCN(CC(C)(C)C[N@H+](C)Cc2ccccc2)C1 ZINC000347029676 428412916 /nfs/dbraw/zinc/41/29/16/428412916.db2.gz XFLSCUNMTCTSTP-SFHVURJKSA-N 2 0 303.494 2.686 20 0 DFADRP C[N@H+](Cc1ccccc1)[C@H]1CCCN(CCn2cccn2)CC1 ZINC000371107444 428361288 /nfs/dbraw/zinc/36/12/88/428361288.db2.gz OCQVFEDFLNDUKF-IBGZPJMESA-N 2 0 312.461 2.870 20 0 DFADRP C[NH2+][C@H](C)Cc1noc(-c2cccc(C[NH+]3CCCCC3)c2)n1 ZINC000414645020 428364142 /nfs/dbraw/zinc/36/41/42/428364142.db2.gz NBVSHMWGAFFUJI-CQSZACIVSA-N 2 0 314.433 2.873 20 0 DFADRP CCC[NH+]1CCN(c2ccccc2C[NH2+][C@@H]2C[C@H]2C(F)F)CC1 ZINC000342238448 428366328 /nfs/dbraw/zinc/36/63/28/428366328.db2.gz SQESSSCICWRWCR-HZPDHXFCSA-N 2 0 323.431 2.962 20 0 DFADRP Cc1nn(-c2cccc(F)c2)cc1C[N@H+]1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000414660386 428368046 /nfs/dbraw/zinc/36/80/46/428368046.db2.gz NZJYNIVJLKYDQI-DZGCQCFKSA-N 2 0 316.424 2.879 20 0 DFADRP CC[N@H+](C[C@@H]1CC[NH2+][C@@H](C)C1)C[C@H]1COc2ccccc2O1 ZINC000414672235 428369843 /nfs/dbraw/zinc/36/98/43/428369843.db2.gz AMPVJKJYZXCZOO-XHSDSOJGSA-N 2 0 304.434 2.536 20 0 DFADRP Cn1cc(C[NH+]2CCC([C@H]3CC[NH2+]C3)CC2)c(C(C)(C)C)n1 ZINC000357047339 428370204 /nfs/dbraw/zinc/37/02/04/428370204.db2.gz JJTLYSRZKOXSMV-HNNXBMFYSA-N 2 0 304.482 2.539 20 0 DFADRP COc1cc(C)c(C[N@H+](C)C[C@@H]2CC[NH2+][C@@H](C)C2)cc1OC ZINC000414675267 428371367 /nfs/dbraw/zinc/37/13/67/428371367.db2.gz FNRRKTCYPFLKAB-LSDHHAIUSA-N 2 0 306.450 2.832 20 0 DFADRP Cn1cc(C[NH+]2CCC([C@@H]3CC[NH2+]C3)CC2)c(C(C)(C)C)n1 ZINC000357047341 428371868 /nfs/dbraw/zinc/37/18/68/428371868.db2.gz JJTLYSRZKOXSMV-OAHLLOKOSA-N 2 0 304.482 2.539 20 0 DFADRP COCC[N@H+](CCOc1ccc(F)cc1)C[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000414688778 428375511 /nfs/dbraw/zinc/37/55/11/428375511.db2.gz DYBSMIJLLYDDIP-JKSUJKDBSA-N 2 0 324.440 2.541 20 0 DFADRP CC(C)[N@@H+](C)C[C@@H](C)NCc1nc2c(s1)C[NH+](C(C)C)CC2 ZINC000353071832 428376043 /nfs/dbraw/zinc/37/60/43/428376043.db2.gz LBEWXGQWOMRGOW-CQSZACIVSA-N 2 0 324.538 2.728 20 0 DFADRP c1ccc2c(NCC3([NH+]4CCCC4)CCOCC3)cc[nH+]c2c1 ZINC000347028290 428413644 /nfs/dbraw/zinc/41/36/44/428413644.db2.gz SCTXXJXBWQMKFW-UHFFFAOYSA-N 2 0 311.429 2.714 20 0 DFADRP CC(C)[N@H+](CCOCC[NH3+])Cc1ccc(Br)cc1 ZINC000357074739 428378784 /nfs/dbraw/zinc/37/87/84/428378784.db2.gz NHMYIEDVBTYTRJ-UHFFFAOYSA-N 2 0 315.255 2.635 20 0 DFADRP Cc1cccc(NC[C@@H]2CC[N@@H+](C[C@@H]3CC[NH2+][C@@H](C)C3)C2)n1 ZINC000414702472 428380928 /nfs/dbraw/zinc/38/09/28/428380928.db2.gz XHYJIQZFQQAGOW-BBWFWOEESA-N 2 0 302.466 2.512 20 0 DFADRP C[C@@H]1C[C@@H](C[NH2+]C(C)(C)CN(C)Cc2ccccc2)CC[NH2+]1 ZINC000414709594 428384040 /nfs/dbraw/zinc/38/40/40/428384040.db2.gz OYJRDZPSYVJULC-AEFFLSMTSA-N 2 0 303.494 2.875 20 0 DFADRP C[C@@H]1C[C@@H](C[N@H+](Cc2ccccc2)[C@@H](CO)C2CC2)CC[NH2+]1 ZINC000414715626 428385933 /nfs/dbraw/zinc/38/59/33/428385933.db2.gz RHXUOLRORDYXDO-AYBZRNKSSA-N 2 0 302.462 2.648 20 0 DFADRP COc1ccc(C[C@@H](C)[NH2+]CC2([NH3+])CCCCC2)cc1OC ZINC000414850494 428433489 /nfs/dbraw/zinc/43/34/89/428433489.db2.gz ZFZYJQOERJURMO-CQSZACIVSA-N 2 0 306.450 2.886 20 0 DFADRP CCOc1cc(C[NH2+][C@H]2CC[NH2+]C[C@H]2C)ccc1OC(F)F ZINC000414950027 428470186 /nfs/dbraw/zinc/47/01/86/428470186.db2.gz FQOXYQWIUAPFFQ-YPMHNXCESA-N 2 0 314.376 2.774 20 0 DFADRP C[C@H]([NH2+]Cc1cc(Cl)c2c(c1)OCCCO2)[C@H]1CCC[NH2+]C1 ZINC000414858314 428435874 /nfs/dbraw/zinc/43/58/74/428435874.db2.gz RIFBFNYABMBPHZ-JSGCOSHPSA-N 2 0 324.852 2.979 20 0 DFADRP C[N@H+](Cc1ccccc1)CC(C)(C)CN1CCC[C@H](C[NH3+])C1 ZINC000347083968 428436479 /nfs/dbraw/zinc/43/64/79/428436479.db2.gz ZTLSTJPQKQKTLI-GOSISDBHSA-N 2 0 303.494 2.815 20 0 DFADRP CCC[N@H+](Cc1ccc(OCCOC)cc1)C1CC[NH2+]CC1 ZINC000347084936 428437635 /nfs/dbraw/zinc/43/76/35/428437635.db2.gz CLVVWKUDXKQSDE-UHFFFAOYSA-N 2 0 306.450 2.676 20 0 DFADRP C[C@@H](Cc1ccc(Br)c(F)c1)[NH2+][C@@H]1CCCNC1 ZINC000414866455 428438653 /nfs/dbraw/zinc/43/86/53/428438653.db2.gz MXMCPKDZAGSWSI-CMPLNLGQSA-N 2 0 315.230 2.861 20 0 DFADRP FC(F)(F)c1ccc(-c2n[nH]cc2CN[C@@H]2CCC[NH2+]C2)cc1 ZINC000414874767 428440109 /nfs/dbraw/zinc/44/01/09/428440109.db2.gz ZCPANSZUDSBJJY-CQSZACIVSA-N 2 0 324.350 2.937 20 0 DFADRP CC(C)c1ccc(NC(=O)C[C@@H](C)[NH2+]CC2([NH3+])CCC2)cc1 ZINC000414870716 428440288 /nfs/dbraw/zinc/44/02/88/428440288.db2.gz CFVSQRSJXOEERB-CQSZACIVSA-N 2 0 303.450 2.998 20 0 DFADRP Cc1nn(Cc2ccccc2Cl)c(C)c1C[NH2+]C[C@H](C)C[NH3+] ZINC000414876428 428440906 /nfs/dbraw/zinc/44/09/06/428440906.db2.gz LJDTUSTUKMIYGU-GFCCVEGCSA-N 2 0 320.868 2.886 20 0 DFADRP CC1CC[NH+](CCN2CCC3(C[C@H]3C[N@H+](C)C3CC3)CC2)CC1 ZINC000372414996 428445767 /nfs/dbraw/zinc/44/57/67/428445767.db2.gz CBKAWDHKATYESY-SFHVURJKSA-N 2 0 319.537 2.915 20 0 DFADRP C[C@@H](CCc1ccc2c(c1)OCO2)[NH2+]CC1(C)CC[NH2+]CC1 ZINC000414898446 428449582 /nfs/dbraw/zinc/44/95/82/428449582.db2.gz GBCVMPJKJOMZGQ-AWEZNQCLSA-N 2 0 304.434 2.716 20 0 DFADRP C[C@H]1C[N@H+](Cc2cccc(OCC(F)(F)F)c2)CC[C@@H]1[NH3+] ZINC000347108372 428449732 /nfs/dbraw/zinc/44/97/32/428449732.db2.gz MRXPOVGVDUYDIP-FZMZJTMJSA-N 2 0 302.340 2.797 20 0 DFADRP c1cn(-c2csc(CN3CCC([NH2+]CC4CC4)CC3)c2)cn1 ZINC000347108927 428449775 /nfs/dbraw/zinc/44/97/75/428449775.db2.gz PASZROXHWIRSPP-UHFFFAOYSA-N 2 0 316.474 2.898 20 0 DFADRP CCO[C@@H]1C[C@@H]([NH2+]C2CC[NH+](C3CCCCC3)CC2)[C@@H]1OC ZINC000357239150 428450252 /nfs/dbraw/zinc/45/02/52/428450252.db2.gz RHHJXCGVLALKOE-KURKYZTESA-N 2 0 310.482 2.566 20 0 DFADRP CC(C)[C@H]([NH3+])CC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000379644470 428450404 /nfs/dbraw/zinc/45/04/04/428450404.db2.gz CIAWWLQWKFCLFH-KBAYOESNSA-N 2 0 317.477 2.529 20 0 DFADRP CCOc1cc(C[NH2+][C@@H](C)CC[NH3+])ccc1OCC(F)(F)F ZINC000414898732 428450829 /nfs/dbraw/zinc/45/08/29/428450829.db2.gz TWHSVSSORCJYAT-NSHDSACASA-N 2 0 320.355 2.853 20 0 DFADRP CC(C)[C@@H]([NH3+])CC(=O)NC[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000379655314 428451786 /nfs/dbraw/zinc/45/17/86/428451786.db2.gz LLCUFQLWCSCUJD-ROUUACIJSA-N 2 0 317.477 2.531 20 0 DFADRP C[C@H](O)C[N@H+](C)C1CC[NH+](C[C@H]2C[C@H]2c2ccccc2)CC1 ZINC000353254466 428452562 /nfs/dbraw/zinc/45/25/62/428452562.db2.gz NXBLRCMGZJDDCR-WDYCEAGBSA-N 2 0 302.462 2.567 20 0 DFADRP c1ccc(C[N@H+]2C[C@@H]3CC[C@H](NCC[C@H]4CCC[NH2+]4)[C@@H]3C2)cc1 ZINC000414902456 428452880 /nfs/dbraw/zinc/45/28/80/428452880.db2.gz IDAWQYYWNLUFKO-NMLBUPMWSA-N 2 0 313.489 2.629 20 0 DFADRP C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC[C@]2(C)CCC[NH2+]C2)C1 ZINC000414902368 428453292 /nfs/dbraw/zinc/45/32/92/428453292.db2.gz HFMUECPDORAXIN-NZSAHSFTSA-N 2 0 301.478 2.801 20 0 DFADRP Cc1ccc(NC(=O)C[C@H](C)N[C@@H]2C[NH2+]CC[C@@H]2C)c(C)c1 ZINC000414910420 428453934 /nfs/dbraw/zinc/45/39/34/428453934.db2.gz CQHQXUMDFAPNKQ-JLJPHGGASA-N 2 0 303.450 2.608 20 0 DFADRP c1ccc(COc2ccc(C[NH2+][C@H]3CCC[NH2+]CC3)cc2)nc1 ZINC000414913620 428454039 /nfs/dbraw/zinc/45/40/39/428454039.db2.gz JERJJDZWMHBOPJ-KRWDZBQOSA-N 2 0 311.429 2.892 20 0 DFADRP COCC1(C[NH2+]C[C@H]2CC[N@H+](Cc3ccccc3)C2)CCC1 ZINC000381957854 428454779 /nfs/dbraw/zinc/45/47/79/428454779.db2.gz FYQAYDITQPYYAR-GOSISDBHSA-N 2 0 302.462 2.915 20 0 DFADRP [NH3+]CCCC[NH2+]Cc1cccc(Br)c1OC(F)F ZINC000414914562 428455764 /nfs/dbraw/zinc/45/57/64/428455764.db2.gz XVNJPKCBYMRUGL-UHFFFAOYSA-N 2 0 323.181 2.879 20 0 DFADRP C[NH2+]C[C@H]1CCN(Cc2ccccc2OCc2ccccn2)C1 ZINC000347125327 428456497 /nfs/dbraw/zinc/45/64/97/428456497.db2.gz YBKWSPFVEVQSKJ-MRXNPFEDSA-N 2 0 311.429 2.702 20 0 DFADRP Cc1nn(-c2ccc(F)cc2)c(C)c1C[N@@H+]1CCC[C@H](C[NH3+])C1 ZINC000347128092 428457851 /nfs/dbraw/zinc/45/78/51/428457851.db2.gz ZOKDMIVVRAMGFP-OAHLLOKOSA-N 2 0 316.424 2.799 20 0 DFADRP Cc1nn2c(C[NH+]3CCC([C@H](C)[NH3+])CC3)c(C(C)C)nc2s1 ZINC000347126828 428457890 /nfs/dbraw/zinc/45/78/90/428457890.db2.gz YIWCGSSIPJOHQG-NSHDSACASA-N 2 0 321.494 2.782 20 0 DFADRP [NH3+][C@@H]1CCC[C@@H]([NH2+]Cc2cccc(OCC(F)(F)F)c2)C1 ZINC000414929501 428459747 /nfs/dbraw/zinc/45/97/47/428459747.db2.gz RPIHFTIEPPURFN-CHWSQXEVSA-N 2 0 302.340 2.987 20 0 DFADRP C[C@@H]([NH3+])[C@@H]1CCCN(Cc2nc3cc(Cl)ccc3n2C)C1 ZINC000347133018 428461462 /nfs/dbraw/zinc/46/14/62/428461462.db2.gz RVEDODXFQGGCPH-VXGBXAGGSA-N 2 0 306.841 2.786 20 0 DFADRP CN(C(=O)CCC(C)(C)[NH3+])[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000388557240 428465433 /nfs/dbraw/zinc/46/54/33/428465433.db2.gz YJXTYJLCTQRYTF-QGZVFWFLSA-N 2 0 317.477 2.627 20 0 DFADRP C[C@H](CC(=O)Nc1cccc(Cl)c1)N[C@@H]1CCC[NH2+][C@H]1C ZINC000414951943 428467983 /nfs/dbraw/zinc/46/79/83/428467983.db2.gz JUEINKIOWUUXFV-TYNCELHUSA-N 2 0 309.841 2.787 20 0 DFADRP COC[C@]1(C[NH2+][C@@H]2CC[C@](C)(c3ccccc3)C2)CCC[NH2+]1 ZINC000414950102 428468758 /nfs/dbraw/zinc/46/87/58/428468758.db2.gz DOUJBSIIQPUSKT-CEXWTWQISA-N 2 0 302.462 2.855 20 0 DFADRP C[C@@H]1C[N@H+](C)CC[C@H]1NC[C@@H]1CCCC[NH+]1Cc1ccccc1 ZINC000360863042 428469527 /nfs/dbraw/zinc/46/95/27/428469527.db2.gz YQIQNLJNNWRWAO-YZGWKJHDSA-N 2 0 315.505 2.971 20 0 DFADRP C[C@@H](CC(=O)Nc1ccccc1C(F)(F)F)[NH2+]CC(C)(C)[NH3+] ZINC000414803186 428415420 /nfs/dbraw/zinc/41/54/20/428415420.db2.gz LWHOGXOFSZUGJK-JTQLQIEISA-N 2 0 317.355 2.749 20 0 DFADRP [NH3+]C[C@@H]1CCC[C@H]1[NH2+]C1CCN(CCc2ccc(F)cc2)CC1 ZINC000414799092 428415451 /nfs/dbraw/zinc/41/54/51/428415451.db2.gz JKUVDTASYLXOCW-QFBILLFUSA-N 2 0 319.468 2.550 20 0 DFADRP CC[NH+](CC)[C@H](CNC(=O)CC1CC[NH+](C)CC1)c1ccco1 ZINC000347032632 428415963 /nfs/dbraw/zinc/41/59/63/428415963.db2.gz BBSZBCQIKLSECP-MRXNPFEDSA-N 2 0 321.465 2.511 20 0 DFADRP [NH3+]C[C@H]1C[N@H+](Cc2cc3ccccc3o2)CC12CCOCC2 ZINC000414797851 428417241 /nfs/dbraw/zinc/41/72/41/428417241.db2.gz YXEZNMYPFQSYMQ-HNNXBMFYSA-N 2 0 300.402 2.620 20 0 DFADRP CC(C)n1ncc2cc(C[N@@H+]3CCC[C@H]([C@@H](C)[NH3+])C3)cnc21 ZINC000347037855 428417966 /nfs/dbraw/zinc/41/79/66/428417966.db2.gz FZTKGPDDKVXUNC-HIFRSBDPSA-N 2 0 301.438 2.571 20 0 DFADRP CC(C)n1ncc2cc(C[NH2+][C@@H]3CCCC[C@@H]3C[NH3+])cnc21 ZINC000414809815 428418243 /nfs/dbraw/zinc/41/82/43/428418243.db2.gz UOFRIAYZJUIPKP-GDBMZVCRSA-N 2 0 301.438 2.619 20 0 DFADRP CCCC[C@H](C[NH3+])NCc1ccc(OCc2noc(C)n2)cc1 ZINC000414816561 428421461 /nfs/dbraw/zinc/42/14/61/428421461.db2.gz QANQSBSHYZCMDK-OAHLLOKOSA-N 2 0 318.421 2.564 20 0 DFADRP CCC([NH3+])(CC)CNC1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000414815277 428421699 /nfs/dbraw/zinc/42/16/99/428421699.db2.gz WYCFLCOERITVFU-UHFFFAOYSA-N 2 0 321.484 2.940 20 0 DFADRP C[C@@H]([NH3+])CC[NH2+]Cc1cc(Cl)ccc1OC[C@H]1CCCO1 ZINC000414818369 428422092 /nfs/dbraw/zinc/42/20/92/428422092.db2.gz DVHUVZKTCCGOAX-IUODEOHRSA-N 2 0 312.841 2.725 20 0 DFADRP FC(F)(F)CCN1CCC([NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000378553127 428424066 /nfs/dbraw/zinc/42/40/66/428424066.db2.gz SDEBEJOXBNFSRY-LSDHHAIUSA-N 2 0 319.415 2.620 20 0 DFADRP CC[C@H]1[NH2+]CC[C@@H]1C(=O)NCC1([NH+]2CCCCC2)CCCCC1 ZINC000353197582 428424153 /nfs/dbraw/zinc/42/41/53/428424153.db2.gz YQFSWTHMCXTDPD-DLBZAZTESA-N 2 0 321.509 2.680 20 0 DFADRP Clc1ccccc1CN1CCC([NH2+]C[C@H]2CCC[NH2+]C2)CC1 ZINC000414827970 428424257 /nfs/dbraw/zinc/42/42/57/428424257.db2.gz LKPJVVVUSYPDCD-HNNXBMFYSA-N 2 0 321.896 2.894 20 0 DFADRP CCCOc1ccc(C[NH2+][C@@H](C)[C@@H]2CCC[NH2+]C2)cc1OC ZINC000414822483 428425503 /nfs/dbraw/zinc/42/55/03/428425503.db2.gz AGBCIIUKMLNFSH-GOEBONIOSA-N 2 0 306.450 2.962 20 0 DFADRP C[C@H]1C[NH2+]CC[C@H]1NCC(C)(C)C[N@H+](C)Cc1ccccc1 ZINC000414950723 428469893 /nfs/dbraw/zinc/46/98/93/428469893.db2.gz GJRAGSWLFOQCMY-FUHWJXTLSA-N 2 0 303.494 2.732 20 0 DFADRP Fc1ccc(Br)c(C[NH2+]CC[C@@H]2CC[NH2+]C2)c1 ZINC000414832170 428426445 /nfs/dbraw/zinc/42/64/45/428426445.db2.gz NYXJPTCHPNDXNS-JTQLQIEISA-N 2 0 301.203 2.677 20 0 DFADRP COc1cc(Br)ccc1C[NH2+]CC[C@@H]1CC[NH2+]C1 ZINC000414829890 428427676 /nfs/dbraw/zinc/42/76/76/428427676.db2.gz LHXIHORVCGVUDM-NSHDSACASA-N 2 0 313.239 2.547 20 0 DFADRP CCOc1cc(C[NH2+]C[C@@H]2CCC[NH2+]C2)ccc1OC(F)F ZINC000414833163 428427713 /nfs/dbraw/zinc/42/77/13/428427713.db2.gz RCTBFBBSZLDFMT-CYBMUJFWSA-N 2 0 314.376 2.776 20 0 DFADRP c1cc(C[NH+]2CCC([C@@H]3CCC[NH2+]3)CC2)c2c(c1)OCCCO2 ZINC000347053551 428428028 /nfs/dbraw/zinc/42/80/28/428428028.db2.gz SNNBOIMWRXYWDE-KRWDZBQOSA-N 2 0 316.445 2.812 20 0 DFADRP CC(C)C[C@H](C[NH3+])NCc1cc(Cl)c2c(c1)OCCCO2 ZINC000414835157 428428266 /nfs/dbraw/zinc/42/82/66/428428266.db2.gz HEJXDIURPTYWGE-CYBMUJFWSA-N 2 0 312.841 2.964 20 0 DFADRP Clc1cccc(-c2n[nH]cc2C[NH2+]C[C@@H]2CCC[NH2+]C2)c1 ZINC000414835388 428428397 /nfs/dbraw/zinc/42/83/97/428428397.db2.gz TXEZTOAYCNWPDU-GFCCVEGCSA-N 2 0 304.825 2.819 20 0 DFADRP C[C@@H]1CCCC[C@H]1[NH+]1CCC(NC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000414841139 428430700 /nfs/dbraw/zinc/43/07/00/428430700.db2.gz YWWIPCPKJWPOHR-ZLMZNLFFSA-N 2 0 305.510 2.902 20 0 DFADRP CCn1cc(CN2C[C@@H]3C[N@H+](C)[C@H](c4ccccc4)[C@H]3C2)cn1 ZINC000360776931 428433033 /nfs/dbraw/zinc/43/30/33/428433033.db2.gz ILQIUDOPRVLWRU-GBESFXJTSA-N 2 0 310.445 2.638 20 0 DFADRP Cc1nn2c(C[NH2+]CCC[C@@H]3CCC[NH2+]3)c(C(C)C)nc2s1 ZINC000414979089 428480539 /nfs/dbraw/zinc/48/05/39/428480539.db2.gz USYCNQQCOPOHGP-CYBMUJFWSA-N 2 0 321.494 2.844 20 0 DFADRP C[C@H](c1ccccc1)N1CC[C@@H]([NH2+]CCC[C@H]2CCC[NH2+]2)C1 ZINC000414981468 428480857 /nfs/dbraw/zinc/48/08/57/428480857.db2.gz XPUXVPTVKFSUSI-BHIYHBOVSA-N 3 0 301.478 2.944 20 0 DFADRP COCC1(C[NH2+]Cc2cc(C)c3ncccc3c2)CC[NH2+]CC1 ZINC000414980132 428481060 /nfs/dbraw/zinc/48/10/60/428481060.db2.gz VRJKRWZBLXKJLL-UHFFFAOYSA-N 2 0 313.445 2.649 20 0 DFADRP C[NH2+][C@@H](C)CN[C@H](C)Cc1ccc(Br)c(F)c1 ZINC000414991585 428481742 /nfs/dbraw/zinc/48/17/42/428481742.db2.gz SMPWUUZIIOEEJW-ZJUUUORDSA-N 2 0 303.219 2.717 20 0 DFADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+]C1CCN(Cc2ccccc2)CC1 ZINC000414990272 428482650 /nfs/dbraw/zinc/48/26/50/428482650.db2.gz IDRPKQNNTLJOFD-ZVBHREPYSA-N 3 0 313.489 2.757 20 0 DFADRP CCC[NH+](CCC)CCCC(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000342893358 428483262 /nfs/dbraw/zinc/48/32/62/428483262.db2.gz QWLBHHYRVQHYKQ-DLBZAZTESA-N 2 0 309.498 2.632 20 0 DFADRP Cc1c(Cl)cccc1NC(=O)CC[NH2+][C@@H]1CC[N@@H+](C)C[C@H]1C ZINC000360896192 428484459 /nfs/dbraw/zinc/48/44/59/428484459.db2.gz DREWNZNICYQTSZ-IUODEOHRSA-N 2 0 323.868 2.907 20 0 DFADRP C[C@@H]1CCCC[C@@H]1[NH+]1CCC(N[C@H]2C[NH2+]CCC2(F)F)CC1 ZINC000415000536 428485143 /nfs/dbraw/zinc/48/51/43/428485143.db2.gz LFXFVNOSFIWHKJ-KBMXLJTQSA-N 2 0 315.452 2.616 20 0 DFADRP COc1ccc(C[NH2+]C[C@@H]2CCC[C@H]([NH3+])C2)c(Cl)c1OC ZINC000414999798 428486612 /nfs/dbraw/zinc/48/66/12/428486612.db2.gz SMQFCXBZPDIOFN-YPMHNXCESA-N 2 0 312.841 2.964 20 0 DFADRP [NH3+][C@H]1CCC[C@H](C[NH2+]Cc2cnc(-c3ccncc3)s2)C1 ZINC000415005523 428487110 /nfs/dbraw/zinc/48/71/10/428487110.db2.gz ZKDHNMOFVSEEFG-JSGCOSHPSA-N 2 0 302.447 2.812 20 0 DFADRP CC(C)(C)[C@@H](O)C[NH2+]C[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000393736734 428487583 /nfs/dbraw/zinc/48/75/83/428487583.db2.gz AEHVADYKICNDKA-ROUUACIJSA-N 2 0 304.478 2.895 20 0 DFADRP [NH3+][C@H]1CCC[C@@H](C[NH2+]Cc2ccnn2-c2ccc(F)cc2)C1 ZINC000415008876 428488677 /nfs/dbraw/zinc/48/86/77/428488677.db2.gz STRDQGMLSLFPQS-HIFRSBDPSA-N 2 0 302.397 2.619 20 0 DFADRP C[C@@H](CCC[NH3+])[NH2+]Cc1c(F)ccc(Br)c1F ZINC000415019330 428490771 /nfs/dbraw/zinc/49/07/71/428490771.db2.gz IAAZQIWKWHJUBB-QMMMGPOBSA-N 2 0 307.182 2.944 20 0 DFADRP c1nn(Cc2ccccc2)cc1C[NH+]1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000347200669 428490891 /nfs/dbraw/zinc/49/08/91/428490891.db2.gz JWZDPSOZBFRXGJ-HXUWFJFHSA-N 2 0 324.472 2.895 20 0 DFADRP C[C@H](CCCC[NH3+])[NH2+]Cc1ccc(Cl)cc1-n1cncn1 ZINC000415014848 428491042 /nfs/dbraw/zinc/49/10/42/428491042.db2.gz NFGCCDXJVWJFBF-GFCCVEGCSA-N 2 0 307.829 2.528 20 0 DFADRP CCOc1cccc(C[NH+]2CCC([C@@H]3C[C@@H]([NH3+])CCO3)CC2)c1 ZINC000415130288 428531144 /nfs/dbraw/zinc/53/11/44/428531144.db2.gz WSYMAXJYULTCAQ-HKUYNNGSSA-N 2 0 318.461 2.804 20 0 DFADRP [NH3+]C[C@@H]1CC[C@H]([NH2+]Cc2ccc(F)cc2Br)C1 ZINC000415037033 428495598 /nfs/dbraw/zinc/49/55/98/428495598.db2.gz LWAHWROISRXADK-SKDRFNHKSA-N 2 0 301.203 2.805 20 0 DFADRP CCOc1cc(C[NH2+][C@@H]2CC[C@@H](C[NH3+])C2)cc(Cl)c1OC ZINC000415034237 428495850 /nfs/dbraw/zinc/49/58/50/428495850.db2.gz JTLHZELSKFQOSW-DGCLKSJQSA-N 2 0 312.841 2.964 20 0 DFADRP CC[NH2+]CC1CC[NH+](Cc2cn(C)nc2-c2cccs2)CC1 ZINC000347214846 428496878 /nfs/dbraw/zinc/49/68/78/428496878.db2.gz QOEXGVWVEIKDEF-UHFFFAOYSA-N 2 0 318.490 2.970 20 0 DFADRP CCOc1cc(C[NH2+][C@H]2CC[C@H](C[NH3+])C2)ccc1OC(F)F ZINC000415044512 428497230 /nfs/dbraw/zinc/49/72/30/428497230.db2.gz STVXYDPXFUGJGZ-AAEUAGOBSA-N 2 0 314.376 2.904 20 0 DFADRP Cc1nn(-c2cccc(F)c2)cc1C[NH2+][C@@H]1CC[C@@H](C[NH3+])C1 ZINC000415046848 428497342 /nfs/dbraw/zinc/49/73/42/428497342.db2.gz VKKNYMHMHPCTPJ-CZUORRHYSA-N 2 0 302.397 2.537 20 0 DFADRP C[C@@H](C[NH2+]C[C@@H]1C[NH2+]CCCO1)c1ccc(C(F)(F)F)cc1 ZINC000415047668 428497921 /nfs/dbraw/zinc/49/79/21/428497921.db2.gz WBFOIDMKKTUUNT-WFASDCNBSA-N 2 0 316.367 2.777 20 0 DFADRP CC[C@@H](Cc1ccc(OC)c(OC)c1)[N@@H+]1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000415047100 428498255 /nfs/dbraw/zinc/49/82/55/428498255.db2.gz AHAFTUJNQVKKKI-SIXWZSSISA-N 2 0 320.477 2.942 20 0 DFADRP C[C@H](Cc1cccc(C(F)(F)F)c1)[NH2+]C[C@H]1C[NH2+]CCCO1 ZINC000415044581 428498624 /nfs/dbraw/zinc/49/86/24/428498624.db2.gz SFXSYKYEYQFFRB-IUODEOHRSA-N 2 0 316.367 2.605 20 0 DFADRP CC[C@@H](Cc1ccccc1)[NH2+]C1CCC([NH+]2CCNCC2)CC1 ZINC000415047162 428498968 /nfs/dbraw/zinc/49/89/68/428498968.db2.gz DXKBZVGUQIVCMD-HDYDNRTBSA-N 2 0 315.505 2.814 20 0 DFADRP COCCOc1ccc(C[N@@H+]2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)cc1 ZINC000415053081 428500724 /nfs/dbraw/zinc/50/07/24/428500724.db2.gz NYDMYWXUQDFODC-IEBWSBKVSA-N 2 0 318.461 2.676 20 0 DFADRP Cc1nn(-c2cccc(F)c2)cc1C[N@H+]1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000415053811 428501067 /nfs/dbraw/zinc/50/10/67/428501067.db2.gz KQXYMCCPFVJSJY-FZKQIMNGSA-N 2 0 316.424 2.737 20 0 DFADRP CCCn1nc(C)c(C[NH+]2CCC([C@@H]3CCC[NH2+]3)CC2)c1C ZINC000347231986 428503571 /nfs/dbraw/zinc/50/35/71/428503571.db2.gz YEURMRZLRSUAQF-SFHVURJKSA-N 2 0 304.482 2.874 20 0 DFADRP CCCn1nc(C)c(C[NH+]2CCC([C@H]3CCC[NH2+]3)CC2)c1C ZINC000347231984 428504009 /nfs/dbraw/zinc/50/40/09/428504009.db2.gz YEURMRZLRSUAQF-GOSISDBHSA-N 2 0 304.482 2.874 20 0 DFADRP C[C@@H]1CN(C2CC[NH+]([C@H]3CCC[C@@H](C)C3)CC2)C[C@@]1(C)C[NH3+] ZINC000415058430 428504394 /nfs/dbraw/zinc/50/43/94/428504394.db2.gz ROOSJUHKRXCCRI-ZAWLATJESA-N 2 0 307.526 2.946 20 0 DFADRP C[C@@H](CC[NH2+]C1CCC([NH+]2CCNCC2)CC1)c1ccccc1 ZINC000415061182 428506710 /nfs/dbraw/zinc/50/67/10/428506710.db2.gz YDQGTRMKUXOJFD-KKXNLOMOSA-N 2 0 315.505 2.986 20 0 DFADRP CC[C@H](C(=O)NCc1ccc(C[NH+](C)C)c(F)c1)[NH+](CC)CC ZINC000343016223 428507153 /nfs/dbraw/zinc/50/71/53/428507153.db2.gz SHRLVMXVMCJWJJ-QGZVFWFLSA-N 2 0 323.456 2.624 20 0 DFADRP [NH3+]C[C@H](NC1CC[NH+](CCc2ccccc2)CC1)C1CCCC1 ZINC000415066906 428507912 /nfs/dbraw/zinc/50/79/12/428507912.db2.gz ONZPLLPMYXSPJJ-FQEVSTJZSA-N 2 0 315.505 2.801 20 0 DFADRP C[C@@H]1C[C@H](C)[N@H+](Cc2cnn(Cc3ccccc3)c2)C[C@@H]1C[NH3+] ZINC000397442232 428509195 /nfs/dbraw/zinc/50/91/95/428509195.db2.gz GFIRWRHMHIDQHP-GJYPPUQNSA-N 2 0 312.461 2.737 20 0 DFADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]CCn1cnc2ccccc21 ZINC000415074541 428509332 /nfs/dbraw/zinc/50/93/32/428509332.db2.gz AOCNSZWLFBGBCE-CVEARBPZSA-N 2 0 300.450 2.937 20 0 DFADRP CC1(C)CC[C@H]1[NH2+]CC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000397492849 428512464 /nfs/dbraw/zinc/51/24/64/428512464.db2.gz MJADPCUOUZPEEQ-QGZVFWFLSA-N 2 0 302.462 2.792 20 0 DFADRP C[C@@H](Cc1ccc(F)c(Br)c1)[NH2+][C@H]1CCCNC1 ZINC000415081983 428513101 /nfs/dbraw/zinc/51/31/01/428513101.db2.gz LCZOPGRBXJTYMQ-JQWIXIFHSA-N 2 0 315.230 2.861 20 0 DFADRP C[C@@H]1C[C@H](C[NH2+]Cc2ccc(N3CCCCCC3)nc2)CC[NH2+]1 ZINC000415083693 428513265 /nfs/dbraw/zinc/51/32/65/428513265.db2.gz NLKXAFXZPDKEQB-IAGOWNOFSA-N 2 0 316.493 2.940 20 0 DFADRP C[C@]1(C[NH2+][C@@H]2CCCN(c3ccccc3Cl)C2)CC[NH2+]C1 ZINC000415083517 428513290 /nfs/dbraw/zinc/51/32/90/428513290.db2.gz NMKLTRHIPUYWEB-PBHICJAKSA-N 2 0 307.869 2.898 20 0 DFADRP C[C@@H]([NH2+]Cc1ccc(OCC(F)(F)F)cc1)[C@H]1CC[NH2+]C1 ZINC000415079693 428513310 /nfs/dbraw/zinc/51/33/10/428513310.db2.gz IHAXXJQIACGBRN-YPMHNXCESA-N 2 0 302.340 2.715 20 0 DFADRP C[C@@H](Cc1ccc(F)c(Br)c1)[NH2+][C@@H]1CCCNC1 ZINC000415081980 428513370 /nfs/dbraw/zinc/51/33/70/428513370.db2.gz LCZOPGRBXJTYMQ-CMPLNLGQSA-N 2 0 315.230 2.861 20 0 DFADRP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+][C@@H]1CCN(c2ccccn2)C1 ZINC000415079978 428513678 /nfs/dbraw/zinc/51/36/78/428513678.db2.gz IOOIEAJJNYNAKZ-BRWVUGGUSA-N 2 0 302.466 2.561 20 0 DFADRP CC[N@@H+]1C[C@@H](C)[C@H](NC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000343075440 428514683 /nfs/dbraw/zinc/51/46/83/428514683.db2.gz AEXWFZAUCCQZJS-VQIMIIECSA-N 2 0 301.478 2.581 20 0 DFADRP CC[N@@H+]1CC[C@H](N[C@@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C)C1 ZINC000398011195 428514727 /nfs/dbraw/zinc/51/47/27/428514727.db2.gz DBFLUAPPVXKBDN-YTQUADARSA-N 2 0 301.478 2.581 20 0 DFADRP CC[N@@H+]1C[C@H](C)[C@H](NC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000343075438 428515119 /nfs/dbraw/zinc/51/51/19/428515119.db2.gz AEXWFZAUCCQZJS-QFBILLFUSA-N 2 0 301.478 2.581 20 0 DFADRP c1cnn(Cc2cccc(C[NH2+][C@@H]3CCC[C@@H]3[C@@H]3CCC[NH2+]3)c2)c1 ZINC000415089861 428515570 /nfs/dbraw/zinc/51/55/70/428515570.db2.gz YHXUIQRGLCJFFC-HSALFYBXSA-N 2 0 324.472 2.942 20 0 DFADRP C[C@@H]([NH2+]C[C@@H]1CC[NH2+][C@H](C)C1)c1noc(-c2ccccc2)n1 ZINC000415090856 428515991 /nfs/dbraw/zinc/51/59/91/428515991.db2.gz PKROYCUWDSRHSF-MGPQQGTHSA-N 2 0 300.406 2.775 20 0 DFADRP COc1cc(F)c([C@H](C)[NH2+]C[C@@H]2CC[NH2+][C@@H](C)C2)cc1OC ZINC000415093269 428518126 /nfs/dbraw/zinc/51/81/26/428518126.db2.gz UYZCGKCRIVATJZ-RWMBFGLXSA-N 2 0 310.413 2.882 20 0 DFADRP C[NH+](C)Cc1cc(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)ccc1F ZINC000415097264 428519609 /nfs/dbraw/zinc/51/96/09/428519609.db2.gz CMDVZFFWBFEGPJ-YTQUADARSA-N 3 0 319.468 2.898 20 0 DFADRP Cc1cccc(C[NH+]2CCN(C[C@@H]3CCCC[N@H+]3C)CC2)c1C ZINC000353404927 428524027 /nfs/dbraw/zinc/52/40/27/428524027.db2.gz NMTVZJKPZGDOCL-FQEVSTJZSA-N 2 0 315.505 2.905 20 0 DFADRP COc1cccc(OCCC[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)c1 ZINC000415115237 428524960 /nfs/dbraw/zinc/52/49/60/428524960.db2.gz GRMJNJRIXBWYMP-QRVBRYPASA-N 2 0 318.461 2.974 20 0 DFADRP [NH3+]C1CCC([NH2+]C2CCN(Cc3ccc(F)c(F)c3)CC2)CC1 ZINC000415111628 428525265 /nfs/dbraw/zinc/52/52/65/428525265.db2.gz RITQIGXJIYFVFS-UHFFFAOYSA-N 2 0 323.431 2.789 20 0 DFADRP FC(F)(F)[C@H]1CC[N@H+](CC2CC[NH2+]CC2)CC12CCOCC2 ZINC000415117935 428526779 /nfs/dbraw/zinc/52/67/79/428526779.db2.gz XOGPYZJCMHMYTI-AWEZNQCLSA-N 2 0 320.399 2.667 20 0 DFADRP c1ccc([C@@H]2C[C@@H](NC[C@@H]3[NH2+]CCc4ccccc43)CC[NH2+]2)cc1 ZINC000414960677 428471476 /nfs/dbraw/zinc/47/14/76/428471476.db2.gz UKJORSXQDSDYDL-JBACZVJFSA-N 2 0 321.468 2.956 20 0 DFADRP CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1NC1CC[NH2+]CC1 ZINC000390654504 428472783 /nfs/dbraw/zinc/47/27/83/428472783.db2.gz OGYMFBNZOWRXEI-GOSISDBHSA-N 2 0 301.478 2.629 20 0 DFADRP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]C[C@@H]1CCCN1Cc1ccccc1 ZINC000390564815 428475027 /nfs/dbraw/zinc/47/50/27/428475027.db2.gz OLUQPVVBVFNTGZ-GBESFXJTSA-N 2 0 301.478 2.758 20 0 DFADRP COCC1(C[NH2+][C@H](C)CCc2ccc(C)cc2)CC[NH2+]CC1 ZINC000414966991 428475440 /nfs/dbraw/zinc/47/54/40/428475440.db2.gz CKMFRJVJXHBNLS-QGZVFWFLSA-N 2 0 304.478 2.922 20 0 DFADRP C[C@@H]1C[NH2+]CC[C@@H]1[NH2+]Cc1cn(C)nc1-c1ccccc1Cl ZINC000414965698 428475484 /nfs/dbraw/zinc/47/54/84/428475484.db2.gz VTSXEDHMJKSFCC-WBMJQRKESA-N 2 0 318.852 2.828 20 0 DFADRP Fc1ccc(Cn2cc(C[NH2+]CCC[C@H]3CCC[NH2+]3)cn2)cc1 ZINC000414961039 428475655 /nfs/dbraw/zinc/47/56/55/428475655.db2.gz HWILGCTVFRWQLB-SFHVURJKSA-N 2 0 316.424 2.692 20 0 DFADRP OC1(C[NH2+]C[C@@H]2CCC[N@H+](Cc3ccccc3)C2)CCCC1 ZINC000390773601 428475686 /nfs/dbraw/zinc/47/56/86/428475686.db2.gz LHAQDOSBKQSNQO-SFHVURJKSA-N 2 0 302.462 2.793 20 0 DFADRP CC(C)N1CCc2nc(C[NH2+]CCC[C@H]3CCC[NH2+]3)sc2C1 ZINC000414969753 428477097 /nfs/dbraw/zinc/47/70/97/428477097.db2.gz JKQBRAMJOSJEEY-AWEZNQCLSA-N 2 0 322.522 2.531 20 0 DFADRP C[N@@H+]1CC[C@H]([NH2+]C[C@H](CCO)c2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000353535023 428581561 /nfs/dbraw/zinc/58/15/61/428581561.db2.gz VAYZPCGCCUZFGS-VJANTYMQSA-N 2 0 302.462 2.615 20 0 DFADRP CC[C@H](C(=O)N1CCC(CCC[NH+](C)C)CC1)[NH+](CC)CC ZINC000347481268 428589434 /nfs/dbraw/zinc/58/94/34/428589434.db2.gz LJVUMGSBIHXCDL-QGZVFWFLSA-N 2 0 311.514 2.687 20 0 DFADRP C[C@@H]1CC[C@H](N[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)C[NH2+]1 ZINC000399115718 428533975 /nfs/dbraw/zinc/53/39/75/428533975.db2.gz FWTQJHOOSFBEIN-NBMJBFSESA-N 2 0 301.478 2.627 20 0 DFADRP C[C@@H](CC[N@@H+]1CC2(CC[NH2+]CC2)[C@@H]2COC[C@@H]21)c1ccccc1 ZINC000415137721 428535204 /nfs/dbraw/zinc/53/52/04/428535204.db2.gz JDIWZYWFNDFCPS-UHOSZYNNSA-N 2 0 314.473 2.881 20 0 DFADRP Cc1ccc(C[N@@H+]2CC3(CC[NH2+]CC3)[C@@H]3COC[C@@H]32)c(C)c1 ZINC000415140304 428536558 /nfs/dbraw/zinc/53/65/58/428536558.db2.gz YOVXERHWEGUWBH-MSOLQXFVSA-N 2 0 300.446 2.504 20 0 DFADRP C[N@@H+]1CC[C@H](NC[C@H](c2ccco2)[NH+]2CCCC2)[C@@H]2CCC[C@H]21 ZINC000353442204 428536862 /nfs/dbraw/zinc/53/68/62/428536862.db2.gz OVFKWKOIZVJVKP-WNRNVDISSA-N 2 0 317.477 2.879 20 0 DFADRP CC(C)[C@@H]1[NH2+]CC[C@@H]1C(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000353437384 428537191 /nfs/dbraw/zinc/53/71/91/428537191.db2.gz CBHJWSDJLWMVFA-ROUUACIJSA-N 2 0 321.509 2.534 20 0 DFADRP CC(C)CN1CCO[C@@H](C[NH2+][C@H]2CCCc3ccc(O)cc32)C1 ZINC000361112947 428537623 /nfs/dbraw/zinc/53/76/23/428537623.db2.gz WMVLLDAVGBSVCE-HKUYNNGSSA-N 2 0 318.461 2.716 20 0 DFADRP CN(C)[C@H](C[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@H]21)c1ccsc1 ZINC000353449747 428540492 /nfs/dbraw/zinc/54/04/92/428540492.db2.gz SFWZOGTYMAJWSR-YLFCFFPRSA-N 2 0 307.507 2.813 20 0 DFADRP c1cncc(CN2CCC[C@H](C[NH2+]C[C@@H]3CCSC3)C2)c1 ZINC000373300323 428542729 /nfs/dbraw/zinc/54/27/29/428542729.db2.gz AVFUEQPAGGQQLV-SJORKVTESA-N 2 0 305.491 2.636 20 0 DFADRP C[C@@H](NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)[C@@H]1CCC[NH2+]1 ZINC000400349918 428542960 /nfs/dbraw/zinc/54/29/60/428542960.db2.gz MDZJGNRLVGRMSP-PANBIXPWSA-N 2 0 313.489 2.912 20 0 DFADRP CC[NH+](CC)[C@@H](CNC(=O)[C@H](C1CC1)[NH+]1CCCC1)CC(C)C ZINC000353458768 428546088 /nfs/dbraw/zinc/54/60/88/428546088.db2.gz KKKYLXAKANQZGD-MSOLQXFVSA-N 2 0 323.525 2.734 20 0 DFADRP C[C@@H](NCC1([N@H+](C)Cc2ccccc2)CCC1)[C@@H]1CCC[NH2+]1 ZINC000400514514 428547132 /nfs/dbraw/zinc/54/71/32/428547132.db2.gz GCIRKPNSHMPPIB-AEFFLSMTSA-N 2 0 301.478 2.771 20 0 DFADRP C[C@H](C[NH2+][C@H](C)[C@H]1CCCN1C(=O)OC(C)(C)C)C[NH+](C)C ZINC000400449742 428547182 /nfs/dbraw/zinc/54/71/82/428547182.db2.gz QNCQAYULRLBABF-RBSFLKMASA-N 2 0 313.486 2.562 20 0 DFADRP CC(=O)Nc1cccc([C@H](C)[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000400990074 428550624 /nfs/dbraw/zinc/55/06/24/428550624.db2.gz XRNJVXGYCLKJGS-OBZJAWTPSA-N 2 0 301.434 2.684 20 0 DFADRP COc1ccc([C@H](C)[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)cc1OC ZINC000400972681 428551309 /nfs/dbraw/zinc/55/13/09/428551309.db2.gz PZOSCFULIGSYAB-LCGIIJARSA-N 2 0 304.434 2.743 20 0 DFADRP c1ccc(CN2CCC[C@H]([NH2+][C@@H]3CC[C@H]4C[NH2+]C[C@H]4C3)C2)cc1 ZINC000401021706 428551855 /nfs/dbraw/zinc/55/18/55/428551855.db2.gz LBKYBHYPFUZAPY-NMLBUPMWSA-N 3 0 313.489 2.629 20 0 DFADRP CC(C)n1cc2c(n1)C[C@H]([NH2+][C@@H]1CC[N@@H+]3CCC[C@@H]3C1)CC2 ZINC000358287151 428594179 /nfs/dbraw/zinc/59/41/79/428594179.db2.gz IWDPROZZPLWYII-BRWVUGGUSA-N 2 0 302.466 2.538 20 0 DFADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@@H](CO)C1CC1 ZINC000353489944 428561860 /nfs/dbraw/zinc/56/18/60/428561860.db2.gz QKDBLTHIQFIBQZ-MNEFBYGVSA-N 2 0 302.462 2.505 20 0 DFADRP CCN(C(=O)C[N@@H+]1CCC[C@@H](C)[C@H]1CC[NH3+])C1CCCCC1 ZINC000404371340 428567923 /nfs/dbraw/zinc/56/79/23/428567923.db2.gz QZSMXZPGERYQLI-NVXWUHKLSA-N 2 0 309.498 2.617 20 0 DFADRP COc1cc(C)c(C[N@@H+]2CCC[C@H](C)[C@H]2CC[NH3+])cc1OC ZINC000404365833 428568593 /nfs/dbraw/zinc/56/85/93/428568593.db2.gz HFSYXSWCEBVHKL-XJKSGUPXSA-N 2 0 306.450 2.962 20 0 DFADRP CCN1C[C@H](C)[C@H]([NH2+]CC(C)(C)N2CCc3ccccc3C2)C1 ZINC000358022728 428576079 /nfs/dbraw/zinc/57/60/79/428576079.db2.gz XLNULBMTJQDNHT-QFBILLFUSA-N 2 0 315.505 2.753 20 0 DFADRP CC[N@@H+]1CC[C@H]([NH+](C)C[C@H](O)CCc2ccccc2)C[C@@H]1C ZINC000347441580 428578952 /nfs/dbraw/zinc/57/89/52/428578952.db2.gz PCPAZOPTUVCFJF-YTQUADARSA-N 2 0 304.478 2.785 20 0 DFADRP Cc1ccc(C[NH2+][C@@H]2CC[N@@H+](C[C@@H]3CCCO3)C[C@@H]2C)c(C)n1 ZINC000373447170 428579089 /nfs/dbraw/zinc/57/90/89/428579089.db2.gz HTXYBPWKXGPSJD-ZOCIIQOWSA-N 2 0 317.477 2.677 20 0 DFADRP CC[NH+](CC)Cc1cccc(NC(=O)[C@@H]2CC[C@@H](C3CC3)[NH2+]2)c1 ZINC000407300411 428579609 /nfs/dbraw/zinc/57/96/09/428579609.db2.gz BTGKNTZZKINBBW-ROUUACIJSA-N 2 0 315.461 2.998 20 0 DFADRP COCCC(C)(C)C[NH2+][C@@H]1CC[N@H+](C[C@H]2CCCO2)C[C@@H]1C ZINC000373528794 428597921 /nfs/dbraw/zinc/59/79/21/428597921.db2.gz JSZMJGXXXTWURL-GVDBMIGSSA-N 2 0 312.498 2.528 20 0 DFADRP COCCC(C)(C)C[NH2+][C@@H]1CC[N@H+](C[C@@H]2CCCO2)C[C@H]1C ZINC000373528795 428598159 /nfs/dbraw/zinc/59/81/59/428598159.db2.gz JSZMJGXXXTWURL-IXDOHACOSA-N 2 0 312.498 2.528 20 0 DFADRP CN(C)C(=[NH2+])NC[C@H]1CCC[N@H+](C)[C@H]1c1cccc(Cl)c1 ZINC000361802351 428598330 /nfs/dbraw/zinc/59/83/30/428598330.db2.gz BEZBPSXQGIMLEC-HIFRSBDPSA-N 2 0 308.857 2.809 20 0 DFADRP Cc1cc(Cl)ccc1C[N@@H+](C)CCCN(C)CC[NH+](C)C ZINC000344030239 428611151 /nfs/dbraw/zinc/61/11/51/428611151.db2.gz OFZPDWANQXNVRX-UHFFFAOYSA-N 2 0 311.901 2.964 20 0 DFADRP CC[C@H](C(=O)NC[C@@]1([NH+](C)C)CCC[C@@H](C)C1)[NH+](CC)CC ZINC000344038891 428614092 /nfs/dbraw/zinc/61/40/92/428614092.db2.gz IKEZXJUXAJOBEO-JFIYKMOQSA-N 2 0 311.514 2.734 20 0 DFADRP CC[NH2+]Cc1ccccc1NC(=O)N(C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000415956790 428634619 /nfs/dbraw/zinc/63/46/19/428634619.db2.gz OQVJLMYAMOPQIP-HOCLYGCPSA-N 2 0 318.465 2.743 20 0 DFADRP C[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+][C@H]2CCc3nc[nH]c3C2)CC1 ZINC000353614484 428623536 /nfs/dbraw/zinc/62/35/36/428623536.db2.gz XLXUPGOFNAIDFU-SIXWZSSISA-N 2 0 316.493 2.900 20 0 DFADRP C[NH+](C)C1CCC([NH2+]Cc2cccc3c2OCCCO3)CC1 ZINC000353615919 428623704 /nfs/dbraw/zinc/62/37/04/428623704.db2.gz XFIPRZQLGCTXAQ-UHFFFAOYSA-N 2 0 304.434 2.810 20 0 DFADRP C[NH2+]Cc1ccccc1NC(=O)NCC1(C[NH+](C)C)CCCC1 ZINC000415918603 428626851 /nfs/dbraw/zinc/62/68/51/428626851.db2.gz FVZSBWHMCUAUJF-UHFFFAOYSA-N 2 0 318.465 2.650 20 0 DFADRP CC[NH2+]Cc1ccccc1NC(=O)N1CC[N@H+](C)[C@@H](C(C)C)C1 ZINC000415934184 428630590 /nfs/dbraw/zinc/63/05/90/428630590.db2.gz RMVHWPKOAJMWSM-QGZVFWFLSA-N 2 0 318.465 2.600 20 0 DFADRP CC[NH2+]Cc1cccc(NC(=O)N[C@H]2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000415931353 428631425 /nfs/dbraw/zinc/63/14/25/428631425.db2.gz KVOPLNSOXIGGPW-IRXDYDNUSA-N 2 0 316.449 2.544 20 0 DFADRP COc1cccc(COCC[NH2+][C@@H]2CC[N@H+](C)[C@@H]3CCC[C@@H]32)c1 ZINC000353629463 428631643 /nfs/dbraw/zinc/63/16/43/428631643.db2.gz FZDCIJNGKKMXPV-GUDVDZBRSA-N 2 0 318.461 2.674 20 0 DFADRP C[C@@H](CNC(=O)Nc1ccc(C[NH3+])cc1)[N@@H+]1CCCC[C@H]1C ZINC000415972149 428637154 /nfs/dbraw/zinc/63/71/54/428637154.db2.gz HJMYADQIENVQHR-KGLIPLIRSA-N 2 0 304.438 2.530 20 0 DFADRP CCC[NH+](CCC)CCCNC(=O)Nc1ccc(C[NH3+])cc1 ZINC000415972233 428638328 /nfs/dbraw/zinc/63/83/28/428638328.db2.gz HRLGZRBDXWPIFZ-UHFFFAOYSA-N 2 0 306.454 2.779 20 0 DFADRP C[NH2+]Cc1ccc(NC(=O)NC[C@H](C)[NH+]2CCC(C)CC2)cc1 ZINC000415970773 428638624 /nfs/dbraw/zinc/63/86/24/428638624.db2.gz IOKMGKABAJEKSI-HNNXBMFYSA-N 2 0 318.465 2.648 20 0 DFADRP C[NH2+]Cc1ccc(NC(=O)NCCCCC[NH+]2CCCC2)cc1 ZINC000415982565 428641286 /nfs/dbraw/zinc/64/12/86/428641286.db2.gz LEIIICDTJDMKBU-UHFFFAOYSA-N 2 0 318.465 2.794 20 0 DFADRP C[N@@H+]1CC[C@H]([NH2+]CCNc2ccc3ccccc3n2)[C@H]2CCC[C@@H]21 ZINC000353647230 428635285 /nfs/dbraw/zinc/63/52/85/428635285.db2.gz QZHVPNOTLKDBGF-NEWSRXKRSA-N 2 0 324.472 3.109 20 0 DFADRP CC[NH2+]Cc1ccccc1NC(=O)N[C@@H]1C[N@@H+](C(C)C)C[C@@H]1C ZINC000415952858 428635361 /nfs/dbraw/zinc/63/53/61/428635361.db2.gz KNGKBODDJGARQY-WMLDXEAASA-N 2 0 318.465 2.646 20 0 DFADRP CCN(C)C(=O)C[NH+]1CCC(CC[N@H+](CC)CC(C)C)CC1 ZINC000358735542 428649824 /nfs/dbraw/zinc/64/98/24/428649824.db2.gz JDSBWVJGJQVUGU-UHFFFAOYSA-N 2 0 311.514 2.545 20 0 DFADRP C[C@@H](C[NH2+][C@H]1CCCCc2ccccc21)N1CC[NH+](C)CC1 ZINC000127702756 274225925 /nfs/dbraw/zinc/22/59/25/274225925.db2.gz RLGCJFBCQMHQIJ-LPHOPBHVSA-N 2 0 301.478 2.680 20 0 DFADRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N1CCC([NH+]2CCC[C@H]2C)CC1 ZINC000362217162 428664739 /nfs/dbraw/zinc/66/47/39/428664739.db2.gz FQAPGUSJBBXVRF-SJLPKXTDSA-N 2 0 321.509 2.725 20 0 DFADRP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NCCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000344505871 428668850 /nfs/dbraw/zinc/66/88/50/428668850.db2.gz BCNSVOJCOCVNPZ-XMTFNYHQSA-N 2 0 323.525 2.734 20 0 DFADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+][C@@H]1CCN(c2c(F)cccc2F)C1 ZINC000167480954 274340502 /nfs/dbraw/zinc/34/05/02/274340502.db2.gz CQXJHWSMZOMVMV-VMUDFCTBSA-N 2 0 323.431 2.862 20 0 DFADRP C[C@@H]1CN(c2cc[nH+]c3ccccc32)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000367061915 274366638 /nfs/dbraw/zinc/36/66/38/274366638.db2.gz ZBAOHYOZKQYHRJ-APWZRJJASA-N 2 0 324.472 2.697 20 0 DFADRP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCN(c3ccc(F)cc3)C2)CC[N@@H+]1C ZINC000152769542 274392423 /nfs/dbraw/zinc/39/24/23/274392423.db2.gz HXXGADDQAFIHTP-VYDXJSESSA-N 2 0 305.441 2.724 20 0 DFADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CCC2(F)CCC2)[C@@H](C)C1 ZINC000348326289 428708493 /nfs/dbraw/zinc/70/84/93/428708493.db2.gz MMQFGGQWEZKCEJ-JKSUJKDBSA-N 2 0 300.462 2.995 20 0 DFADRP CC[N@H+](Cc1ccc(C(=O)NCC2([NH+](C)C)CC2)cc1)C(C)C ZINC000416300144 428711643 /nfs/dbraw/zinc/71/16/43/428711643.db2.gz HXEXJTQVZZTNFM-UHFFFAOYSA-N 2 0 317.477 2.741 20 0 DFADRP CCn1cc(CC[NH2+][C@H]2CCCC[C@@H]2C[NH+](CC)CC)cn1 ZINC000348359995 428717946 /nfs/dbraw/zinc/71/79/46/428717946.db2.gz BKYFQQRDTBJNIJ-MSOLQXFVSA-N 2 0 306.498 2.936 20 0 DFADRP CCC[C@@H]([NH2+]C(C)C)C(=O)N1CC[NH+](C2CCC(C)CC2)CC1 ZINC000353817914 428733140 /nfs/dbraw/zinc/73/31/40/428733140.db2.gz UFJQHRBXOYFQCK-DAWZGUTISA-N 2 0 323.525 2.876 20 0 DFADRP COc1cc(C)c(C[N@H+](C)[C@H]2CCN(C)[C@@H](C)C2)cc1OC ZINC000353745656 428688778 /nfs/dbraw/zinc/68/87/78/428688778.db2.gz IGYRGTNRUONHCT-HOCLYGCPSA-N 2 0 306.450 2.927 20 0 DFADRP CC(C)[C@H](C(=O)NCCC[N@@H+]1CCCC[C@H]1C)[NH+]1CCCCC1 ZINC000358819919 428690484 /nfs/dbraw/zinc/69/04/84/428690484.db2.gz RYKVUMAVYVNTIY-QZTJIDSGSA-N 2 0 323.525 2.878 20 0 DFADRP C[NH+](C)Cc1cccc(C(=O)NC[C@H]2[N@H+](C)CCCC2(C)C)c1 ZINC000344686348 428694443 /nfs/dbraw/zinc/69/44/43/428694443.db2.gz CAKIGFUBFDDHAJ-QGZVFWFLSA-N 2 0 317.477 2.598 20 0 DFADRP CCC[N@H+](CC)C[C@H](C)NC(=O)C[C@@H](c1ccccc1)[NH+](C)C ZINC000416232676 428694458 /nfs/dbraw/zinc/69/44/58/428694458.db2.gz GLKOECDYALDUEP-WMZOPIPTSA-N 2 0 319.493 2.916 20 0 DFADRP Cc1cc(NC[C@@]2([NH+](C)C)CCSC2)c2ccccc2[nH+]1 ZINC000358991368 428763971 /nfs/dbraw/zinc/76/39/71/428763971.db2.gz VDFDXBZQBKGBFI-KRWDZBQOSA-N 2 0 301.459 2.814 20 0 DFADRP C[C@@H]1CCC[C@H](C[N@@H+]2CCCC[C@H](N3CCN(C)CC3)C2)C1 ZINC000374873484 428770092 /nfs/dbraw/zinc/77/00/92/428770092.db2.gz HNRKHAOIKQQHCH-QYZOEREBSA-N 2 0 307.526 2.915 20 0 DFADRP C[N@@H+]1CCCC[C@@H]1CCC(=O)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000353899964 428770939 /nfs/dbraw/zinc/77/09/39/428770939.db2.gz IJNCDKYYLJNEKG-QZTJIDSGSA-N 2 0 321.509 2.728 20 0 DFADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]CC2(C(F)F)CC2)[C@@H](C)C1 ZINC000359005911 428771603 /nfs/dbraw/zinc/77/16/03/428771603.db2.gz WYJSKEVBPUTOSM-KBPBESRZSA-N 2 0 304.425 2.758 20 0 DFADRP CC[NH+]1CCN([C@@H](C)C[NH2+]Cc2cc(F)cc(Cl)c2)CC1 ZINC000362517123 428782735 /nfs/dbraw/zinc/78/27/35/428782735.db2.gz WJYGBFHCILWEOX-ZDUSSCGKSA-N 2 0 313.848 2.595 20 0 DFADRP CCC[C@H]([NH2+]C(C)C)C(=O)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000353937881 428784012 /nfs/dbraw/zinc/78/40/12/428784012.db2.gz FOZIYXKYWWQPED-SJORKVTESA-N 2 0 309.498 2.630 20 0 DFADRP CC(C)[NH+]1CCN([C@@H]2CC[N@H+](C[C@H]3CCCC[C@H]3C)C2)CC1 ZINC000374964193 428792265 /nfs/dbraw/zinc/79/22/65/428792265.db2.gz PIKOGIWCKXBGFI-GUDVDZBRSA-N 2 0 307.526 2.913 20 0 DFADRP C[C@H]([NH2+][C@@H](CO)CC(F)F)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000348443524 428744806 /nfs/dbraw/zinc/74/48/06/428744806.db2.gz XNUXENYAVZGKSU-CWRNSKLLSA-N 2 0 312.404 2.503 20 0 DFADRP CCC[NH+]1CCC(C[NH2+][C@@H](CC)C2(C(=O)OC)CCC2)CC1 ZINC000353851364 428746557 /nfs/dbraw/zinc/74/65/57/428746557.db2.gz YOHOIGHYQGXWEB-INIZCTEOSA-N 2 0 310.482 2.820 20 0 DFADRP C[C@@H]1CC[C@H](C)[N@H+]1[C@H]1CCCN(C(=O)C[NH+]2CCC(C)CC2)C1 ZINC000353856242 428748758 /nfs/dbraw/zinc/74/87/58/428748758.db2.gz VWNAKZQROPVBBR-KSZLIROESA-N 2 0 321.509 2.582 20 0 DFADRP CC(CC[NH+](C)C[C@@H]1CCCO1)CC[N@H+](C)C[C@@H]1CCCO1 ZINC000411172779 428750557 /nfs/dbraw/zinc/75/05/57/428750557.db2.gz NAIGNAFJLKHERV-ROUUACIJSA-N 2 0 312.498 2.624 20 0 DFADRP CC(C)[C@H](C(=O)N1CCC(CC[NH+](C)C)CC1)[NH+]1CCCCC1 ZINC000353959183 428794024 /nfs/dbraw/zinc/79/40/24/428794024.db2.gz COVGKIVOIVKKHT-GOSISDBHSA-N 2 0 323.525 2.687 20 0 DFADRP O[C@@H]1CC[C@@H]2C[N@H+](Cc3ccc(C[NH+]4CCCCC4)cc3)C[C@@H]12 ZINC000411497710 428804963 /nfs/dbraw/zinc/80/49/63/428804963.db2.gz ABBQPJKQLJGTBS-VAMGGRTRSA-N 2 0 314.473 2.875 20 0 DFADRP Cc1cc2[nH]c(C[NH2+][C@H](C)CN3CC[NH+](C)CC3)cc2c(C)c1 ZINC000359086144 428809645 /nfs/dbraw/zinc/80/96/45/428809645.db2.gz VINPJNMAXJDDQQ-MRXNPFEDSA-N 2 0 314.477 2.510 20 0 DFADRP CCCC[C@@H]1CCC[C@@H]1[NH2+]CC(=O)NC1CC[NH+](C(C)C)CC1 ZINC000411524039 428809834 /nfs/dbraw/zinc/80/98/34/428809834.db2.gz ZKDDWFMDMQFSKP-AEFFLSMTSA-N 2 0 323.525 2.924 20 0 DFADRP C[C@H]1C[N@H+](Cc2cccc(C[NH+]3CCCCC3)c2)CC[C@H]1O ZINC000411562757 428817699 /nfs/dbraw/zinc/81/76/99/428817699.db2.gz BYISKQJHJBYHEL-QFBILLFUSA-N 2 0 302.462 2.875 20 0 DFADRP CC[NH+](CC)C[C@H]1CCCC[C@H]1NC(=O)CC1CC[NH+](C)CC1 ZINC000362952299 428820638 /nfs/dbraw/zinc/82/06/38/428820638.db2.gz QQGURKIKZLAWQC-QZTJIDSGSA-N 2 0 323.525 2.735 20 0 DFADRP CC[NH+](CC)CCOC1CC[NH+](Cc2c(C)noc2C)CC1 ZINC000354025609 428827428 /nfs/dbraw/zinc/82/74/28/428827428.db2.gz GQOWYMNISSQUSO-UHFFFAOYSA-N 2 0 309.454 2.614 20 0 DFADRP CCc1ccc(C[NH+]2CCC(N3CC[NH+](C(C)C)CC3)CC2)o1 ZINC000354044989 428838872 /nfs/dbraw/zinc/83/88/72/428838872.db2.gz OCGTZAPDKVBAKZ-UHFFFAOYSA-N 2 0 319.493 2.832 20 0 DFADRP CCC[N@@H+]1CCC[C@H]1C(=O)Nc1ccccc1CC[NH+](C)C ZINC000354191845 428906240 /nfs/dbraw/zinc/90/62/40/428906240.db2.gz RCRYRYFPJORKBD-KRWDZBQOSA-N 2 0 303.450 2.604 20 0 DFADRP CCOC(=O)c1coc(CN(C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)c1 ZINC000348865287 428863513 /nfs/dbraw/zinc/86/35/13/428863513.db2.gz DFGJSQOBIRAZFW-YIONKMFJSA-N 2 0 306.406 2.513 20 0 DFADRP CCc1ccccc1NC(=O)C[N@H+](C)CCC1CC[NH2+]CC1 ZINC000359208372 428866531 /nfs/dbraw/zinc/86/65/31/428866531.db2.gz JHTAPKFWEXYTHA-UHFFFAOYSA-N 2 0 303.450 2.509 20 0 DFADRP COc1cc(C)c(C[N@H+](C)CCC2CC[NH2+]CC2)cc1OC ZINC000359223020 428872887 /nfs/dbraw/zinc/87/28/87/428872887.db2.gz ZDZXYWSAJXUOSQ-UHFFFAOYSA-N 2 0 306.450 2.834 20 0 DFADRP CC(C)[C@@H](CO)[N@H+](CCC1CC[NH2+]CC1)Cc1ccccc1 ZINC000359229590 428878120 /nfs/dbraw/zinc/87/81/20/428878120.db2.gz YEKSVRWLPDGWJE-LJQANCHMSA-N 2 0 304.478 2.895 20 0 DFADRP CCOC(=O)C1(C)CCC([NH2+]C[C@@H]2CCC[N@H+](CC)C2)CC1 ZINC000354147212 428886943 /nfs/dbraw/zinc/88/69/43/428886943.db2.gz SEQFOETURZKORK-HJOIGYKYSA-N 2 0 310.482 2.820 20 0 DFADRP Cn1ccc([C@@H]([NH2+]CCCC[NH+](C)C)c2ccc(F)cc2)n1 ZINC000359244124 428886922 /nfs/dbraw/zinc/88/69/22/428886922.db2.gz RIONKPCHPKCQKQ-KRWDZBQOSA-N 2 0 304.413 2.580 20 0 DFADRP Cn1c2ccccc2nc1CC[NH+]1CCC(n2ccnc2)CC1 ZINC000363237347 428887662 /nfs/dbraw/zinc/88/76/62/428887662.db2.gz IZRBXWNSOVZQEI-UHFFFAOYSA-N 2 0 309.417 2.649 20 0 DFADRP Cc1c2ccccc2oc1[C@H](C)[NH2+]CC1(O)CC[NH+](C)CC1 ZINC000268943550 274669493 /nfs/dbraw/zinc/66/94/93/274669493.db2.gz AVDPMIZMHGHJPH-AWEZNQCLSA-N 2 0 302.418 2.849 20 0 DFADRP COCCCC[NH2+][C@H]1CCN(Cc2cnc(C)s2)C[C@H]1C ZINC000375513617 428903289 /nfs/dbraw/zinc/90/32/89/428903289.db2.gz LSELKWQVCKRDQI-CJNGLKHVSA-N 2 0 311.495 2.678 20 0 DFADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)Cc1ccc(OC)cc1 ZINC000349034693 428905315 /nfs/dbraw/zinc/90/53/15/428905315.db2.gz FGYDQPOWAJKBPR-GOSISDBHSA-N 2 0 319.493 2.543 20 0 DFADRP C[C@H](C(=O)N1CCC[C@@H]1C[NH+]1CCCCC1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000411991916 428905493 /nfs/dbraw/zinc/90/54/93/428905493.db2.gz ZELWTJGOGFMVTF-XMTFNYHQSA-N 2 0 321.509 2.725 20 0 DFADRP CC[N@@H+]1CC[C@H](N(C)C(=O)NCC2([NH3+])CCCCCC2)C[C@@H]1C ZINC000418287862 428912726 /nfs/dbraw/zinc/91/27/26/428912726.db2.gz VFXDZHVTSPRXNZ-HOTGVXAUSA-N 2 0 324.513 2.552 20 0 DFADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)Cc1ccc(C)s1 ZINC000349077834 428913166 /nfs/dbraw/zinc/91/31/66/428913166.db2.gz QHSBMJZRBLWOPX-INIZCTEOSA-N 2 0 309.523 2.904 20 0 DFADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)Cc1ccccc1C ZINC000349077819 428913537 /nfs/dbraw/zinc/91/35/37/428913537.db2.gz QGOHQIUYEAZZQS-IBGZPJMESA-N 2 0 303.494 2.843 20 0 DFADRP CN(CC[N@H+](C)Cc1cccc2[nH]ccc21)C1CC[NH+](C)CC1 ZINC000349073876 428914128 /nfs/dbraw/zinc/91/41/28/428914128.db2.gz LTYHYVHFLYYZMK-UHFFFAOYSA-N 2 0 314.477 2.626 20 0 DFADRP C[NH+](C)CCOCC[NH2+][C@@H]1C[C@@H](OCc2ccccc2)C1(C)C ZINC000354203689 428915408 /nfs/dbraw/zinc/91/54/08/428915408.db2.gz JCMWPSIYVDBNDG-QZTJIDSGSA-N 2 0 320.477 2.538 20 0 DFADRP CCC[N@@H+]1CCC[C@H]1C(=O)NCCCC[NH+]1CCCC[C@@H]1C ZINC000349117045 428924702 /nfs/dbraw/zinc/92/47/02/428924702.db2.gz JDLCVQAQLZPDEG-IRXDYDNUSA-N 2 0 309.498 2.632 20 0 DFADRP Cc1ccnc(NC[C@@H]2CC[N@@H+](C[C@@H](O)CCC(C)C)C2)c1 ZINC000375638898 428929773 /nfs/dbraw/zinc/92/97/73/428929773.db2.gz KRDJBNVJPOGOHG-IRXDYDNUSA-N 2 0 305.466 2.921 20 0 DFADRP CCCC[N@H+](C)CC1CCN(C(=O)[C@H]2CCC[NH+]2CCC)CC1 ZINC000349146215 428929787 /nfs/dbraw/zinc/92/97/87/428929787.db2.gz VQOLPDICSWZSML-GOSISDBHSA-N 2 0 323.525 2.831 20 0 DFADRP C[NH+]1CCC([C@@H]2CC[N@H+](Cc3ccc([S@@](C)=O)cc3)C2)CC1 ZINC000349178790 428934973 /nfs/dbraw/zinc/93/49/73/428934973.db2.gz BNWPZPDBLMWPMI-VGOFRKELSA-N 2 0 320.502 2.588 20 0 DFADRP OC[C@H]1C[N@H+](CCC[NH+]2CCCCC2)CC[C@H]1c1ccccc1 ZINC000375676477 428940109 /nfs/dbraw/zinc/94/01/09/428940109.db2.gz GPVMTJHRYKVPFX-UXHICEINSA-N 2 0 316.489 2.960 20 0 DFADRP Cc1nn(C)c(C)c1CN1C[C@@H]2C[N@H+](C)[C@@H](c3ccccc3)[C@@H]2C1 ZINC000363572903 428946503 /nfs/dbraw/zinc/94/65/03/428946503.db2.gz KXXUILVPPDCKJD-SXLOBPIMSA-N 2 0 324.472 2.772 20 0 DFADRP FCCC[C@@H]1CCC[C@@H]1[NH2+]C[C@@H]1CCC[C@H]1N1CCOCC1 ZINC000375703524 428948391 /nfs/dbraw/zinc/94/83/91/428948391.db2.gz HOJLPNXXIRHPHR-XLAORIBOSA-N 2 0 312.473 2.995 20 0 DFADRP C[NH+](C)CCOCC[NH2+]Cc1ccccc1OC1CCCC1 ZINC000349250105 428949097 /nfs/dbraw/zinc/94/90/97/428949097.db2.gz FDURXJJJCCMWBV-UHFFFAOYSA-N 2 0 306.450 2.676 20 0 DFADRP CCc1ccccc1CC[NH+]1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000375724716 428953126 /nfs/dbraw/zinc/95/31/26/428953126.db2.gz MSIXTJBEYGJKID-FQEVSTJZSA-N 2 0 315.505 2.503 20 0 DFADRP C[N@@H+]1CCC[C@@H]1CCN1CCCC[C@@H]1COC(=O)N1CCCC1 ZINC000375767882 428966435 /nfs/dbraw/zinc/96/64/35/428966435.db2.gz KGFDCCRHBYXEJK-IAGOWNOFSA-N 2 0 323.481 2.558 20 0 DFADRP COc1ccc([C@H](C)[C@H](C)[NH2+]CCC[NH2+]C2CC2)cc1OC ZINC000423542435 428969160 /nfs/dbraw/zinc/96/91/60/428969160.db2.gz BAERVWJUHASBNE-KGLIPLIRSA-N 2 0 306.450 2.928 20 0 DFADRP COC(=O)CCC[C@H]1CCC[C@H]([NH2+]CCC2=CC[NH2+]CC2)C1 ZINC000423539880 428969317 /nfs/dbraw/zinc/96/93/17/428969317.db2.gz PMZIIZZPCBMQDM-SJORKVTESA-N 2 0 308.466 2.788 20 0 DFADRP COc1cccc2c1CC[C@H]([NH2+][C@@H]1CC[C@H]3C[NH2+]C[C@H]3C1)C2 ZINC000423539836 428969806 /nfs/dbraw/zinc/96/98/06/428969806.db2.gz IYDZQYMQINGCIB-HZMVEIRTSA-N 2 0 300.446 2.530 20 0 DFADRP CC(C)C[C@@H]1CCC[C@H]([NH2+]CCC[N@@H+]2CCC[C@H](C(N)=O)C2)C1 ZINC000354327526 428970347 /nfs/dbraw/zinc/97/03/47/428970347.db2.gz HHFHRKJRURTXOA-BZSNNMDCSA-N 2 0 323.525 2.768 20 0 DFADRP Cc1cc(C[NH+](C)C)cc(NC(=O)[C@H]2CCCC[C@]2(C)[NH3+])c1 ZINC000423779662 429016627 /nfs/dbraw/zinc/01/66/27/429016627.db2.gz FMLSJBWHMWBAEL-AEFFLSMTSA-N 2 0 303.450 2.903 20 0 DFADRP Cc1cc(C[NH+](C)C)cc(NC(=O)CCC2CC[NH2+]CC2)c1 ZINC000423783553 429019211 /nfs/dbraw/zinc/01/92/11/429019211.db2.gz KOCDVQKBSZZXEK-UHFFFAOYSA-N 2 0 303.450 2.775 20 0 DFADRP CC[NH+](CC)[C@H](C(=O)N(C)C[C@@H]1CCC[N@@H+]1C)c1ccccc1 ZINC000421711683 429019556 /nfs/dbraw/zinc/01/95/56/429019556.db2.gz PBWBYKVACPYAHC-ROUUACIJSA-N 2 0 317.477 2.622 20 0 DFADRP C[NH+](C)[C@@H]1CCC[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC000433359690 429027556 /nfs/dbraw/zinc/02/75/56/429027556.db2.gz CWFAXQRUFSYDMT-JQHSSLGASA-N 2 0 321.509 2.773 20 0 DFADRP CC[NH+](CC)[C@@H]1CCN(C(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC000433376660 429029842 /nfs/dbraw/zinc/02/98/42/429029842.db2.gz JXSRCANCDIHOFD-QZTJIDSGSA-N 2 0 321.509 2.726 20 0 DFADRP CCc1ccccc1C[NH2+]C(C)(C)CN1CC[NH+](CC)CC1 ZINC000451981276 429031686 /nfs/dbraw/zinc/03/16/86/429031686.db2.gz IVMJTJQOLTYUKJ-UHFFFAOYSA-N 2 0 303.494 2.755 20 0 DFADRP Cc1cc(F)ccc1[C@@H]1CCCN1C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000451987077 429032773 /nfs/dbraw/zinc/03/27/73/429032773.db2.gz JGNGFUVMVTWKHQ-WMZOPIPTSA-N 2 0 306.425 2.726 20 0 DFADRP COCCc1nc(C)c([C@H](C)[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)s1 ZINC000423551210 428972821 /nfs/dbraw/zinc/97/28/21/428972821.db2.gz UEKHRHPJWXRIAA-ZGKBOVNRSA-N 2 0 323.506 2.679 20 0 DFADRP COC(=O)C[C@@H]1CC[C@H]([NH2+][C@H]2CCN(C3CCCC3)C2)[C@H]1C ZINC000354331124 428973335 /nfs/dbraw/zinc/97/33/35/428973335.db2.gz PVIXARIQTKXWJY-JKQORVJESA-N 2 0 308.466 2.571 20 0 DFADRP C[C@@H]1C[N@H+](CCC[NH2+][C@H]2CS[C@H](C(C)(C)C)C2)CCCO1 ZINC000433024403 428981343 /nfs/dbraw/zinc/98/13/43/428981343.db2.gz WYXCKJKYDFLZEQ-OAGGEKHMSA-N 2 0 314.539 2.997 20 0 DFADRP C[NH2+]C[C@H](C)C(=O)Nc1cccc(CC[NH+]2CCC(C)CC2)c1 ZINC000423838043 429033863 /nfs/dbraw/zinc/03/38/63/429033863.db2.gz HEPYKQJZBIEADF-INIZCTEOSA-N 2 0 317.477 2.755 20 0 DFADRP CC[C@@H](C)[NH+]1CCN(Cc2cncn2Cc2ccccc2)CC1 ZINC000451831818 428992310 /nfs/dbraw/zinc/99/23/10/428992310.db2.gz BCZJLDMPZXRVKU-QGZVFWFLSA-N 2 0 312.461 2.848 20 0 DFADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]CC2(SC)CC2)[C@H](C)C1 ZINC000433084363 428992867 /nfs/dbraw/zinc/99/28/67/428992867.db2.gz SJUGDHXQVLETJS-CABCVRRESA-N 2 0 300.512 2.609 20 0 DFADRP COCC[C@H]([NH2+][C@H]1CCc2nccn2C1)c1ccc(F)cc1 ZINC000375839304 428992953 /nfs/dbraw/zinc/99/29/53/428992953.db2.gz IAOFNYSSUQBNCB-HOTGVXAUSA-N 2 0 303.381 2.704 20 0 DFADRP CC[C@H](C)CCC(=O)NCC1([NH+]2CCCCC2)CCN(C)CC1 ZINC000375838676 428993479 /nfs/dbraw/zinc/99/34/79/428993479.db2.gz JUHPYHZKRHNNSF-KRWDZBQOSA-N 2 0 323.525 2.879 20 0 DFADRP CON1CCC([NH2+]C2CC[NH+]([C@@H]3CCC[C@H](C)C3)CC2)CC1 ZINC000421399052 428993934 /nfs/dbraw/zinc/99/39/34/428993934.db2.gz PJGFOIDWYGGSMB-MAUKXSAKSA-N 2 0 309.498 2.645 20 0 DFADRP COc1ccc(OCCC[NH2+][C@@H]2CC[N@H+](C)[C@@H]3CCC[C@H]32)cc1 ZINC000375849861 428995923 /nfs/dbraw/zinc/99/59/23/428995923.db2.gz IHBMPLOKAPNBRP-IPMKNSEASA-N 2 0 318.461 2.927 20 0 DFADRP [NH3+]C1CC[NH+](CCCC(=O)N[C@@H]2CC[C@@H]3CCCC[C@H]3C2)CC1 ZINC000433119188 428996570 /nfs/dbraw/zinc/99/65/70/428996570.db2.gz FHKAQCSTGUHSIW-XYJFISCASA-N 2 0 321.509 2.665 20 0 DFADRP CC[NH+](CC)CCOc1ccc(NC(=O)[C@H](C[NH3+])C(C)C)cc1 ZINC000433117201 428996795 /nfs/dbraw/zinc/99/67/95/428996795.db2.gz OBGLKFNISBNQLB-QGZVFWFLSA-N 2 0 321.465 2.577 20 0 DFADRP CCC[C@]1(C)CCCN(C(=O)CCC[NH+]2CCC([NH3+])CC2)C1 ZINC000433139123 428998606 /nfs/dbraw/zinc/99/86/06/428998606.db2.gz VREDAHCRCUGRDB-GOSISDBHSA-N 2 0 309.498 2.619 20 0 DFADRP CC(C)[C@H](C[NH3+])C(=O)NC1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000433129440 428999054 /nfs/dbraw/zinc/99/90/54/428999054.db2.gz NXYPMLCBJJZJPP-YJBOKZPZSA-N 2 0 317.477 2.559 20 0 DFADRP C[C@@H]1CCCC[C@H]1CCNC(=O)CCC[NH+]1CCC([NH3+])CC1 ZINC000433133705 428999215 /nfs/dbraw/zinc/99/92/15/428999215.db2.gz ZMQCNLYCRBPUNO-CVEARBPZSA-N 2 0 309.498 2.522 20 0 DFADRP CC(C)[C@H](C[NH3+])C(=O)NC1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC000433129438 428999388 /nfs/dbraw/zinc/99/93/88/428999388.db2.gz NXYPMLCBJJZJPP-QAPCUYQASA-N 2 0 317.477 2.559 20 0 DFADRP C[N@@H+]1CC[C@H]([NH2+]CCc2ccc3c(c2)CCO3)[C@H]2CCC[C@H]21 ZINC000375859859 429001419 /nfs/dbraw/zinc/00/14/19/429001419.db2.gz FTGAVHVSFNHVTA-FGTMMUONSA-N 2 0 300.446 2.626 20 0 DFADRP Cc1ccc([C@@H](C)NC(=O)CCC[NH+]2CCC([NH3+])CC2)c(C)c1 ZINC000433169929 429004524 /nfs/dbraw/zinc/00/45/24/429004524.db2.gz ZBJWJEQEGVPMNC-MRXNPFEDSA-N 2 0 317.477 2.684 20 0 DFADRP CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)C1(C[NH3+])CCCC1 ZINC000423737179 429006735 /nfs/dbraw/zinc/00/67/35/429006735.db2.gz DSOPIKAYFIIGLR-UHFFFAOYSA-N 2 0 317.477 2.616 20 0 DFADRP CC[NH+]1CCC(NC(=O)C[N@H+](C)C2CCC(C(C)C)CC2)CC1 ZINC000433180863 429007467 /nfs/dbraw/zinc/00/74/67/429007467.db2.gz ZCUMZZXGGZXXBW-UHFFFAOYSA-N 2 0 323.525 2.734 20 0 DFADRP COCC[N@H+](CCC[NH+]1CCCCC1)[C@@H]1CCCSC1 ZINC000433205316 429009980 /nfs/dbraw/zinc/00/99/80/429009980.db2.gz KMKRHSZWOMPRCU-MRXNPFEDSA-N 2 0 300.512 2.706 20 0 DFADRP C[N@@H+]1CC[C@H]([NH2+]Cc2ccc(C(C)(C)O)cc2)[C@H]2CCC[C@@H]21 ZINC000375898370 429011617 /nfs/dbraw/zinc/01/16/17/429011617.db2.gz RRDLMKASRWLVBO-SQNIBIBYSA-N 2 0 302.462 2.876 20 0 DFADRP CC(C)[C@@H](C(=O)NCC[N@H+](C)C1CCCCC1)[NH+]1CCCCC1 ZINC000354842373 429012471 /nfs/dbraw/zinc/01/24/71/429012471.db2.gz WEYSAOGTWXPOHN-SFHVURJKSA-N 2 0 323.525 2.878 20 0 DFADRP Cc1cc(C[N@H+]2CC[C@@H](N3CC[NH+](C(C)C)CC3)C2)c(C)s1 ZINC000375906365 429013813 /nfs/dbraw/zinc/01/38/13/429013813.db2.gz OWXHQGBJIKWHHP-GOSISDBHSA-N 2 0 321.534 2.965 20 0 DFADRP C[C@@H](NC(=O)C(C)(C)[C@H]([NH3+])c1ccccc1)C(C)(C)C[NH+](C)C ZINC000423446573 429089373 /nfs/dbraw/zinc/08/93/73/429089373.db2.gz SQMPREFWZIIZNO-GDBMZVCRSA-N 2 0 319.493 2.805 20 0 DFADRP CC[C@H]([NH3+])CN[C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000423471675 429092931 /nfs/dbraw/zinc/09/29/31/429092931.db2.gz PVDULXPOVAPDHH-CADBVGFASA-N 2 0 301.478 2.614 20 0 DFADRP C[C@@H]1[C@@H](N[C@H]2C[NH2+]CCC2(F)F)CCC[N@@H+]1Cc1ccccc1 ZINC000423470439 429093319 /nfs/dbraw/zinc/09/33/19/429093319.db2.gz DKDUCCJGWJLQBW-PVAVHDDUSA-N 2 0 323.431 2.626 20 0 DFADRP CC[N@@H+]1CC[C@@H](CNC(=O)CC[C@@H]([NH3+])CC2CCCCC2)C1 ZINC000424132926 429095845 /nfs/dbraw/zinc/09/58/45/429095845.db2.gz LHOSIQXGDQRPEM-DLBZAZTESA-N 2 0 309.498 2.522 20 0 DFADRP C[C@H](Cc1ccc(F)cc1Cl)[NH2+]CCOCC[NH+](C)C ZINC000421834546 429039044 /nfs/dbraw/zinc/03/90/44/429039044.db2.gz CHYJKVAVGZSMER-GFCCVEGCSA-N 2 0 302.821 2.578 20 0 DFADRP COC1([C@@H](C)[NH2+]CCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CCCC1 ZINC000421844934 429039518 /nfs/dbraw/zinc/03/95/18/429039518.db2.gz PCIKPIGVBQKPGS-IXDOHACOSA-N 2 0 312.498 2.813 20 0 DFADRP [NH3+][C@H](CCC(=O)NC1CC[NH+](C2CC2)CC1)CC1CCCCC1 ZINC000424135700 429096481 /nfs/dbraw/zinc/09/64/81/429096481.db2.gz MSRQNIHZVPRLIB-MRXNPFEDSA-N 2 0 321.509 2.807 20 0 DFADRP COc1ccc2c(c1)[C@@H](NC[C@@H]1C[NH2+]CCCO1)CCCS2 ZINC000423489447 429096524 /nfs/dbraw/zinc/09/65/24/429096524.db2.gz FZUQRTLAMWWHOF-HOCLYGCPSA-N 2 0 322.474 2.590 20 0 DFADRP Cc1cccc(C)c1[C@H](C)NC(=O)CCC[NH+]1CCC([NH3+])CC1 ZINC000423886509 429048864 /nfs/dbraw/zinc/04/88/64/429048864.db2.gz SCARFKSEYMSCBO-INIZCTEOSA-N 2 0 317.477 2.684 20 0 DFADRP COC(=O)Nc1cccc(C[NH2+][C@@H]2CC[N@H+](C)[C@@H]3CCC[C@H]32)c1 ZINC000376063159 429050469 /nfs/dbraw/zinc/05/04/69/429050469.db2.gz XZLJNIBBYZUUKM-GVDBMIGSSA-N 2 0 317.433 2.827 20 0 DFADRP C[C@H]([NH3+])CCC(=O)NCC[C@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000423904477 429052798 /nfs/dbraw/zinc/05/27/98/429052798.db2.gz OHWCMTDKADHFAN-JZXOWHBKSA-N 2 0 317.477 2.531 20 0 DFADRP Cn1nccc1[C@@H]1CCC[C@@H]([NH2+]CC2CC[NH+](C3CC3)CC2)C1 ZINC000376087831 429055015 /nfs/dbraw/zinc/05/50/15/429055015.db2.gz ZZRJOAULYOKOJK-IAGOWNOFSA-N 2 0 316.493 2.910 20 0 DFADRP COCCc1nc(C)c([C@H](C)[NH2+][C@H]2CCCC[C@H]2C[NH3+])s1 ZINC000423281699 429055604 /nfs/dbraw/zinc/05/56/04/429055604.db2.gz UKLLWTNRURPPQK-UBHSHLNASA-N 2 0 311.495 2.809 20 0 DFADRP [NH3+]C[C@@H]1CCC[C@H]1N[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000423285679 429058792 /nfs/dbraw/zinc/05/87/92/429058792.db2.gz ZNCRZESJTLLCJC-UHZRXMQZSA-N 2 0 313.489 2.899 20 0 DFADRP C[C@H]([NH3+])c1ccc(C(=O)N[C@@H](C[NH+](C)C)c2ccccc2)cc1 ZINC000423307599 429059705 /nfs/dbraw/zinc/05/97/05/429059705.db2.gz HJCFYTDWKXANGN-KSSFIOAISA-N 2 0 311.429 2.739 20 0 DFADRP CC(C)[C@H](C(=O)NC[C@H](c1cccs1)[NH+]1CCCC1)[C@@H](C)[NH3+] ZINC000423299928 429059823 /nfs/dbraw/zinc/05/98/23/429059823.db2.gz CSVMGQOEMALCIP-FMKPAKJESA-N 2 0 323.506 2.621 20 0 DFADRP C[C@H]1CCC[N@H+](Cc2ccc(NC(=O)CC3(C[NH3+])CC3)cc2)C1 ZINC000423322792 429061956 /nfs/dbraw/zinc/06/19/56/429061956.db2.gz HADXDHCBYYFMLS-HNNXBMFYSA-N 2 0 315.461 2.986 20 0 DFADRP [NH3+][C@H](C[NH2+][C@@H](Cc1ccccc1Cl)[C@@H]1CCCO1)C1CC1 ZINC000423315531 429062001 /nfs/dbraw/zinc/06/20/01/429062001.db2.gz IWTRUQVYSRXNJQ-IKGGRYGDSA-N 2 0 308.853 2.757 20 0 DFADRP CC(C)[N@@H+]1CC[C@@H](N(C)CC[NH+](C)Cc2ccc(F)cc2)C1 ZINC000452119589 429063205 /nfs/dbraw/zinc/06/32/05/429063205.db2.gz QHQLAWVJMJHFSY-GOSISDBHSA-N 2 0 307.457 2.672 20 0 DFADRP Cc1c([C@H](C)[NH2+]CC2(C)CC[NH2+]CC2)nnn1-c1ccccc1 ZINC000423328233 429064339 /nfs/dbraw/zinc/06/43/39/429064339.db2.gz LWTXFCKSDXUFQY-AWEZNQCLSA-N 2 0 313.449 2.616 20 0 DFADRP COc1cc([C@@H](C)[NH2+]CCC[C@@H]2CCC[NH2+]2)cc(OC)c1OC ZINC000423486415 429097055 /nfs/dbraw/zinc/09/70/55/429097055.db2.gz SQVJPGNJUJJZOR-UKRRQHHQSA-N 2 0 322.449 2.895 20 0 DFADRP C[N@H+](CCOC1CCC1)C1CCN(CCC(F)(F)F)CC1 ZINC000452124111 429064486 /nfs/dbraw/zinc/06/44/86/429064486.db2.gz XHQMPSWMAAOETB-UHFFFAOYSA-N 2 0 308.388 2.904 20 0 DFADRP COc1ccc([C@@H](C)[NH2+]C[C@H]2CC[NH2+]C2)cc1Br ZINC000423330819 429064690 /nfs/dbraw/zinc/06/46/90/429064690.db2.gz GJERMGIDLJUULL-MNOVXSKESA-N 2 0 313.239 2.718 20 0 DFADRP C[C@H]1C[C@@H]([NH2+]CC2(C)CC[NH2+]CC2)CN1Cc1ccccc1 ZINC000423326416 429064912 /nfs/dbraw/zinc/06/49/12/429064912.db2.gz KMPSDOQQTYPIOC-FUHWJXTLSA-N 2 0 301.478 2.629 20 0 DFADRP C[C@]1(C[NH2+]C2CCN(c3ccc(F)cc3F)CC2)CCC[NH2+]C1 ZINC000423326947 429065374 /nfs/dbraw/zinc/06/53/74/429065374.db2.gz KTRYNYJESCLOEV-SFHVURJKSA-N 2 0 323.431 2.913 20 0 DFADRP C[C@H]([NH2+]CC1(C)CC[NH2+]CC1)c1cccc(OCC[NH+](C)C)c1 ZINC000423331402 429065513 /nfs/dbraw/zinc/06/55/13/429065513.db2.gz OEPRIZJVBJHQHW-INIZCTEOSA-N 3 0 319.493 2.667 20 0 DFADRP CC1(C[NH2+][C@H](Cc2ccccn2)c2cccnc2)CC[NH2+]CC1 ZINC000423331012 429065751 /nfs/dbraw/zinc/06/57/51/429065751.db2.gz OBOGWERWSXBPKF-GOSISDBHSA-N 2 0 310.445 2.740 20 0 DFADRP [NH3+]C1(C[NH2+][C@H]2CCc3cc(Br)ccc3C2)CCC1 ZINC000423324531 429065897 /nfs/dbraw/zinc/06/58/97/429065897.db2.gz KKDSASSFBDEHPK-AWEZNQCLSA-N 2 0 309.251 2.777 20 0 DFADRP c1c2c(cc3c1OCCC[C@H]3[NH2+]C[C@H]1CC[NH2+]C1)CCCC2 ZINC000423330775 429066012 /nfs/dbraw/zinc/06/60/12/429066012.db2.gz GGZMPTHWMOHEEZ-KBXCAEBGSA-N 2 0 300.446 2.978 20 0 DFADRP [NH3+][C@H](CCC(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12)CC1CCCCC1 ZINC000424138166 429097095 /nfs/dbraw/zinc/09/70/95/429097095.db2.gz TXNONZIEKUGGIH-KURKYZTESA-N 2 0 321.509 2.807 20 0 DFADRP C[N@H+](Cc1ccccc1)C1CCC([NH2+]C[C@@H]([NH3+])C2CC2)CC1 ZINC000423334532 429067258 /nfs/dbraw/zinc/06/72/58/429067258.db2.gz WQHHXCRKHFUAPU-CTWPCTMYSA-N 3 0 301.478 2.757 20 0 DFADRP CC(C)[C@H](C(=O)NCc1ccccc1C[N@H+](C)C(C)C)[C@@H](C)[NH3+] ZINC000423337676 429067795 /nfs/dbraw/zinc/06/77/95/429067795.db2.gz RGUAQQZCGIKAMO-QAPCUYQASA-N 2 0 319.493 2.762 20 0 DFADRP FC(F)(F)c1cnc2c(c1)[C@H]([NH2+]CC1=CC[NH2+]CC1)CCC2 ZINC000423347149 429069777 /nfs/dbraw/zinc/06/97/77/429069777.db2.gz QDZXQNBOISRDMK-CQSZACIVSA-N 2 0 311.351 2.987 20 0 DFADRP C[C@@H]([NH2+]CCCC[NH3+])c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000423342070 429069909 /nfs/dbraw/zinc/06/99/09/429069909.db2.gz UXZDKGOQTXPKKU-CQSZACIVSA-N 2 0 324.490 2.792 20 0 DFADRP COc1ccc([C@@H](C)[NH2+]CCCC[NH3+])c(Br)c1 ZINC000423342621 429070216 /nfs/dbraw/zinc/07/02/16/429070216.db2.gz ZBYZKBUEEOJISJ-SNVBAGLBSA-N 2 0 301.228 2.847 20 0 DFADRP C[C@@H](Cc1ccc(F)cc1Br)[NH2+]C[C@H]1CC[NH2+]C1 ZINC000423345965 429070574 /nfs/dbraw/zinc/07/05/74/429070574.db2.gz PHAZWQZSUBVJMT-QWRGUYRKSA-N 2 0 315.230 2.718 20 0 DFADRP C[NH+]1CCC(CCNC(=O)C(C)(C)[C@@H]([NH3+])c2ccccc2)CC1 ZINC000423353059 429071711 /nfs/dbraw/zinc/07/17/11/429071711.db2.gz CGIDLFMUWLJWKK-KRWDZBQOSA-N 2 0 317.477 2.561 20 0 DFADRP C[C@@H]1CC[NH2+]C[C@@H]1N[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000423361794 429072091 /nfs/dbraw/zinc/07/20/91/429072091.db2.gz MPIAIXSJBFSYEG-PKOFMYQESA-N 2 0 313.489 2.770 20 0 DFADRP C[C@@H]([NH3+])c1ccc(C(=O)NC[C@@]2([NH+](C)C)CCC[C@@H](C)C2)cc1 ZINC000423356621 429072232 /nfs/dbraw/zinc/07/22/32/429072232.db2.gz QYHLHZCTKJEZSY-SPYBWZPUSA-N 2 0 317.477 2.947 20 0 DFADRP C[C@@H]([NH3+])c1ccc(C(=O)N2CC[NH+](CCC(C)(C)C)CC2)cc1 ZINC000423354008 429072316 /nfs/dbraw/zinc/07/23/16/429072316.db2.gz MNOOSKIUZUCHLJ-OAHLLOKOSA-N 2 0 317.477 2.900 20 0 DFADRP C[C@@H](NCC[C@H]1CCC[NH2+]1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000423363851 429072728 /nfs/dbraw/zinc/07/27/28/429072728.db2.gz OCQMDXATZKWBIH-BHIYHBOVSA-N 2 0 301.478 2.629 20 0 DFADRP C[C@H](Cc1ccccc1)[NH+]1CCC(N[C@@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000423371993 429073857 /nfs/dbraw/zinc/07/38/57/429073857.db2.gz QSKCRWPSQRZINR-YVWKXTFCSA-N 2 0 315.505 2.942 20 0 DFADRP COc1cc(C)c(C[C@H](C)[NH2+][C@@H]2CC[NH2+][C@H](C)C2)cc1OC ZINC000423367955 429074471 /nfs/dbraw/zinc/07/44/71/429074471.db2.gz AWMRPFBOTDVXQO-IJEWVQPXSA-N 2 0 306.450 2.673 20 0 DFADRP C[C@H]([NH2+][C@@H]1CCC[C@H]([NH3+])C1)c1ccc(-n2cncn2)cc1Cl ZINC000423368096 429075186 /nfs/dbraw/zinc/07/51/86/429075186.db2.gz CWXVEGZHILCGJR-RWMBFGLXSA-N 2 0 319.840 2.841 20 0 DFADRP C[C@@H]1C[NH2+]CC[C@@H]1N[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000423364673 429075518 /nfs/dbraw/zinc/07/55/18/429075518.db2.gz CRXQRPNIGBONIC-XLSIIYIISA-N 2 0 313.489 2.770 20 0 DFADRP C[C@H](Cc1ccccc1)[NH+]1CCC(N[C@@H]2CCC[NH2+][C@H]2C)CC1 ZINC000423373789 429076046 /nfs/dbraw/zinc/07/60/46/429076046.db2.gz JNTHNQVMZMYAOR-FUHIMQAGSA-N 2 0 315.505 2.812 20 0 DFADRP C[C@H]([NH3+])c1ccc(C(=O)NCC(C)(C)[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000423377437 429076325 /nfs/dbraw/zinc/07/63/25/429076325.db2.gz YSYSIEGUROAQBC-CABCVRRESA-N 2 0 317.477 2.947 20 0 DFADRP C[C@@H]1C[NH2+]CC[C@@H]1[NH2+][C@@H](C[C@@H]1CCOC1)c1ccc(F)cc1 ZINC000423391284 429078840 /nfs/dbraw/zinc/07/88/40/429078840.db2.gz KQVRCBCNZTUGRS-BODMPHMZSA-N 2 0 306.425 2.881 20 0 DFADRP CC[C@H]([NH2+]C[C@H](N1CC[NH2+]CC1)C(F)(F)F)c1ccccc1 ZINC000423395404 429079452 /nfs/dbraw/zinc/07/94/52/429079452.db2.gz SNQWKDLQKOKECW-GJZGRUSLSA-N 2 0 315.383 2.563 20 0 DFADRP COc1ccc(C[C@H](C)[NH2+][C@H]2CC[NH2+]C[C@@H]2C)c(C)c1OC ZINC000423394649 429080111 /nfs/dbraw/zinc/08/01/11/429080111.db2.gz MVUMARRJPWMWEJ-XEZPLFJOSA-N 2 0 306.450 2.531 20 0 DFADRP COC[C@@]1(C[NH2+][C@H](Cc2ccc(F)cc2)C(C)C)CCC[NH2+]1 ZINC000423411383 429083509 /nfs/dbraw/zinc/08/35/09/429083509.db2.gz FRHQCNNGYFCNLP-MSOLQXFVSA-N 2 0 308.441 2.751 20 0 DFADRP C[NH+](C)[C@@H]1CCC[C@H](NC(=O)C(C)(C)[C@@H]([NH3+])c2ccccc2)C1 ZINC000423410919 429083529 /nfs/dbraw/zinc/08/35/29/429083529.db2.gz DVYKARLIGZAJPP-BBWFWOEESA-N 2 0 317.477 2.702 20 0 DFADRP CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)[C@H](C(C)C)[C@H](C)[NH3+])C1 ZINC000423409946 429084095 /nfs/dbraw/zinc/08/40/95/429084095.db2.gz RCJAXISKTFOGNM-ARFHVFGLSA-N 2 0 311.514 2.623 20 0 DFADRP COCC1(C[NH2+][C@@H]2CC[C@@H](c3ccccc3)C2)CC[NH2+]CC1 ZINC000423411426 429084177 /nfs/dbraw/zinc/08/41/77/429084177.db2.gz UMZGJUMRLNQVOM-QZTJIDSGSA-N 2 0 302.462 2.929 20 0 DFADRP Clc1cc2c(c(Cl)c1)CC[C@@H]2NC[C@H]1C[NH2+]CCCO1 ZINC000423486712 429097600 /nfs/dbraw/zinc/09/76/00/429097600.db2.gz BYLIMUXTMNSHGK-ABAIWWIYSA-N 2 0 315.244 2.949 20 0 DFADRP CC(C)[C@H]([NH2+]C[C@@H]1C[NH2+]C[C@H]1O)c1ccc(C(C)(C)C)cc1 ZINC000423426146 429085007 /nfs/dbraw/zinc/08/50/07/429085007.db2.gz MVMZHDKEQPYFML-JQHSSLGASA-N 2 0 304.478 2.851 20 0 DFADRP CC(C)[C@H]([NH2+]C[C@@H]1C[NH2+]C[C@@H]1O)c1ccc(C(C)(C)C)cc1 ZINC000423426149 429085357 /nfs/dbraw/zinc/08/53/57/429085357.db2.gz MVMZHDKEQPYFML-SZMVWBNQSA-N 2 0 304.478 2.851 20 0 DFADRP [NH3+]C[C@@H]1CCCC[C@H]1NC(=O)CC[C@@H]([NH3+])CC1CCCCC1 ZINC000424073343 429087527 /nfs/dbraw/zinc/08/75/27/429087527.db2.gz FDQISUHWWDQSJI-GVDBMIGSSA-N 2 0 309.498 2.698 20 0 DFADRP C[C@H]([NH3+])c1ccc(C(=O)N2CC[C@@H](C[N@H+](C)CC3CC3)C2)cc1 ZINC000423434556 429087599 /nfs/dbraw/zinc/08/75/99/429087599.db2.gz ODNAUPVQPYXCMJ-HOCLYGCPSA-N 2 0 315.461 2.510 20 0 DFADRP C[C@@H]([NH3+])c1ccc(C(=O)N2CC[C@H](C[N@H+](C)CC3CC3)C2)cc1 ZINC000423434554 429087802 /nfs/dbraw/zinc/08/78/02/429087802.db2.gz ODNAUPVQPYXCMJ-GDBMZVCRSA-N 2 0 315.461 2.510 20 0 DFADRP CC(=O)NCCc1ccc([C@@H](C)[NH2+][C@H](C)CCCC[NH3+])cc1 ZINC000423447680 429088588 /nfs/dbraw/zinc/08/85/88/429088588.db2.gz ZXHAWLXGRNVWDU-HUUCEWRRSA-N 2 0 305.466 2.533 20 0 DFADRP Cc1cc(C[NH3+])cc(NC(=O)N2CCC[C@H]2C[NH+]2CCCC2)c1 ZINC000424432649 429143048 /nfs/dbraw/zinc/14/30/48/429143048.db2.gz HVABNEOKIWWFQM-KRWDZBQOSA-N 2 0 316.449 2.546 20 0 DFADRP CC[C@H]1CCCC[N@@H+]1CCNC(=O)Nc1cc(C)cc(C[NH3+])c1 ZINC000424441778 429143067 /nfs/dbraw/zinc/14/30/67/429143067.db2.gz XDBJNMSNPZBLAM-KRWDZBQOSA-N 2 0 318.465 2.840 20 0 DFADRP Cc1c(F)cccc1NC(=O)CC[N@@H+](C)[C@@H]1CCC[NH2+]CC1 ZINC000435621861 429152553 /nfs/dbraw/zinc/15/25/53/429152553.db2.gz AUQMVRGNASOKCD-CQSZACIVSA-N 2 0 307.413 2.537 20 0 DFADRP CC(C)CNC(=O)c1cccc(CN(C)[C@H]2CCC[NH2+]CC2)c1 ZINC000435610484 429153502 /nfs/dbraw/zinc/15/35/02/429153502.db2.gz JYJDWYIWMZCKCW-SFHVURJKSA-N 2 0 317.477 2.646 20 0 DFADRP CC[N@H+](CCCOc1ccc(OC)cc1)[C@@H]1CCC[NH2+]CC1 ZINC000435625353 429155516 /nfs/dbraw/zinc/15/55/16/429155516.db2.gz HMJGGGRTJDVLCG-MRXNPFEDSA-N 2 0 306.450 2.928 20 0 DFADRP [NH3+]C[C@@H]1CC[C@@H]([NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC000423493861 429099257 /nfs/dbraw/zinc/09/92/57/429099257.db2.gz CGQGNQZLJCDPNL-WAPOTWQKSA-N 3 0 313.489 2.899 20 0 DFADRP CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)CC[C@H]([NH3+])CC1CCCCC1 ZINC000424140704 429099283 /nfs/dbraw/zinc/09/92/83/429099283.db2.gz WOOCOIGAWYIBFM-MSOLQXFVSA-N 2 0 323.525 2.865 20 0 DFADRP Clc1cccc([C@@H]2CC[C@H]([NH2+]C[C@@H]3C[NH2+]CCCO3)C2)c1 ZINC000423492850 429099333 /nfs/dbraw/zinc/09/93/33/429099333.db2.gz OVGKWHMGCMYAMP-PVAVHDDUSA-N 2 0 308.853 2.944 20 0 DFADRP C[C@H]([NH2+][C@H]1CC[C@@H](C[NH3+])C1)c1cccc(N2CCCC2=O)c1 ZINC000423497426 429099548 /nfs/dbraw/zinc/09/95/48/429099548.db2.gz YTVTZEOKPFUUMQ-LZWOXQAQSA-N 2 0 301.434 2.591 20 0 DFADRP CC[N@H+](CC(=O)Nc1ccc2c(ccnc2N(C)C)c1)C1CC1 ZINC000452355191 429099715 /nfs/dbraw/zinc/09/97/15/429099715.db2.gz MVSKMPUTBLHJEU-UHFFFAOYSA-N 2 0 312.417 2.724 20 0 DFADRP Clc1ccc([C@@H]2CC[C@@H]([NH2+]C[C@H]3C[NH2+]CCCO3)C2)cc1 ZINC000423494980 429099841 /nfs/dbraw/zinc/09/98/41/429099841.db2.gz TULJFMICBMHIKL-DJIMGWMZSA-N 2 0 308.853 2.944 20 0 DFADRP C[C@@H]([NH2+][C@H](CN)C1CCCC1)c1ccc(OCC[NH+](C)C)cc1 ZINC000423505799 429101339 /nfs/dbraw/zinc/10/13/39/429101339.db2.gz HISVHPZQUXAOHP-DNVCBOLYSA-N 2 0 319.493 2.795 20 0 DFADRP CCN(Cc1ccccc1)C(=O)C[NH2+]Cc1cncn1C(C)C ZINC000424164547 429102159 /nfs/dbraw/zinc/10/21/59/429102159.db2.gz ZRPNKZHAQMIOIL-UHFFFAOYSA-N 2 0 314.433 2.602 20 0 DFADRP CC[C@H](c1ccc2c(c1)OCCO2)[N@@H+]1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000423515449 429106545 /nfs/dbraw/zinc/10/65/45/429106545.db2.gz VMXCJOLOEZCGJD-DDUZABMNSA-N 2 0 304.434 2.826 20 0 DFADRP CCc1ccccc1[C@H]([NH3+])CN[C@@H](Cc1ccccc1)[C@H](C)[NH3+] ZINC000423515950 429106581 /nfs/dbraw/zinc/10/65/81/429106581.db2.gz XRJADEZHRVPQJV-BEVDRBHNSA-N 2 0 311.473 2.797 20 0 DFADRP COc1cc(NC(C)=O)ccc1[C@@H](C)[N@@H+]1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000423514506 429106674 /nfs/dbraw/zinc/10/66/74/429106674.db2.gz TTZUDALDTPBLMS-SNUQEOBHSA-N 2 0 319.449 2.631 20 0 DFADRP c1cc2c(s1)CCC[C@@H]2[NH2+]C1CCC([NH+]2CCNCC2)CC1 ZINC000423520204 429107179 /nfs/dbraw/zinc/10/71/79/429107179.db2.gz QZZQUUDRNGIYER-DQPZFDDXSA-N 2 0 319.518 2.932 20 0 DFADRP CC(C)[C@@H]([NH2+]C1CCC([NH+]2CCNCC2)CC1)c1cccnc1 ZINC000423525907 429108232 /nfs/dbraw/zinc/10/82/32/429108232.db2.gz YUTLBOGAFGBQHV-CTWPCTMYSA-N 2 0 316.493 2.585 20 0 DFADRP CC(C)(C)OC(=O)C(C)(C)CC[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000424194998 429108690 /nfs/dbraw/zinc/10/86/90/429108690.db2.gz YJZZSEMGSUOIJK-CABCVRRESA-N 2 0 310.482 2.961 20 0 DFADRP C[C@@H]1CN(C(=O)CC[C@@H]([NH3+])CC2CCCCC2)C[C@@]1(C)C[NH3+] ZINC000424199206 429108859 /nfs/dbraw/zinc/10/88/59/429108859.db2.gz QGCBCWGCUMRVJR-QGPMSJSTSA-N 2 0 309.498 2.508 20 0 DFADRP CC(C)(C)OC(=O)C(C)(C)CC[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000424194999 429109613 /nfs/dbraw/zinc/10/96/13/429109613.db2.gz YJZZSEMGSUOIJK-GJZGRUSLSA-N 2 0 310.482 2.961 20 0 DFADRP CC(C)(C)[NH+]1CCC(NCC2([NH3+])C3CC4CC(C3)CC2C4)CC1 ZINC000423530352 429110604 /nfs/dbraw/zinc/11/06/04/429110604.db2.gz REPQXNXTEVQYHZ-UHFFFAOYSA-N 2 0 319.537 2.993 20 0 DFADRP COC(=O)CC1CC([NH2+]CCCC[N@H+]2C[C@H](C)C[C@H](C)C2)C1 ZINC000424273137 429118255 /nfs/dbraw/zinc/11/82/55/429118255.db2.gz VZQRXFCDZNWCLM-RYTJFDOTSA-N 2 0 310.482 2.676 20 0 DFADRP CN(CC[C@H]1CCCC[N@@H+]1C)C[C@H](C[NH3+])c1ccc(F)cc1 ZINC000424278712 429119353 /nfs/dbraw/zinc/11/93/53/429119353.db2.gz DYOUDQSAFSPQPL-FUHWJXTLSA-N 2 0 307.457 2.674 20 0 DFADRP C[C@H]1CC2(C[N@@H+]1CCOCCOc1ccccc1)CC[NH2+]CC2 ZINC000424295986 429121276 /nfs/dbraw/zinc/12/12/76/429121276.db2.gz RUJCNMHEYASWOA-KRWDZBQOSA-N 2 0 318.461 2.546 20 0 DFADRP CC(C)CN(CC(C)C)C(=O)C[N@@H+]1CC2(C[C@@H]1C)CC[NH2+]CC2 ZINC000424289105 429121316 /nfs/dbraw/zinc/12/13/16/429121316.db2.gz LOXNYOUMYFNDKM-KRWDZBQOSA-N 2 0 323.525 2.591 20 0 DFADRP C[C@H]1CC2(C[N@@H+]1CCC(=O)Nc1cccc(F)c1)CC[NH2+]CC2 ZINC000424296660 429121382 /nfs/dbraw/zinc/12/13/82/429121382.db2.gz SDOMQLCKLMZZGH-AWEZNQCLSA-N 2 0 319.424 2.618 20 0 DFADRP CC(C)CN(CC(C)C)C(=O)C[N@@H+]1CC2(C[C@H]1C)CC[NH2+]CC2 ZINC000424289106 429121655 /nfs/dbraw/zinc/12/16/55/429121655.db2.gz LOXNYOUMYFNDKM-QGZVFWFLSA-N 2 0 323.525 2.591 20 0 DFADRP CO[C@@H](C)c1nc(C[N@@H+]2CC3(C[C@@H]2C)CC[NH2+]CC3)cs1 ZINC000424292959 429121667 /nfs/dbraw/zinc/12/16/67/429121667.db2.gz OYTZEJKIGLVFTM-STQMWFEESA-N 2 0 309.479 2.815 20 0 DFADRP C[C@H]1CC2(C[N@@H+]1CCC(=O)Nc1ccccc1F)CC[NH2+]CC2 ZINC000424299915 429122983 /nfs/dbraw/zinc/12/29/83/429122983.db2.gz WFBJFKQKTAIVQE-AWEZNQCLSA-N 2 0 319.424 2.618 20 0 DFADRP [NH3+]C[C@@H](CN1CCC[C@H]([NH+]2CCCC2)CC1)c1ccc(F)cc1 ZINC000424302911 429123232 /nfs/dbraw/zinc/12/32/32/429123232.db2.gz MZCXACHOKVLGCJ-HKUYNNGSSA-N 2 0 319.468 2.818 20 0 DFADRP CCC[N@H+](C)C[C@@H]1CCN(C[C@@H](C[NH3+])c2ccc(F)cc2)C1 ZINC000424303228 429123470 /nfs/dbraw/zinc/12/34/70/429123470.db2.gz NPSAVKFNLLXFKW-DOTOQJQBSA-N 2 0 307.457 2.532 20 0 DFADRP CC[NH+](CC)C[C@H]1CCN(C[C@@H](C[NH3+])c2ccc(F)cc2)C1 ZINC000424308321 429124441 /nfs/dbraw/zinc/12/44/41/429124441.db2.gz ZPMOGBIQJQERJM-NVXWUHKLSA-N 2 0 307.457 2.532 20 0 DFADRP CC[NH+](CC)C[C@@H]1CCN(C[C@H](C[NH3+])c2ccc(F)cc2)C1 ZINC000424308322 429124562 /nfs/dbraw/zinc/12/45/62/429124562.db2.gz ZPMOGBIQJQERJM-RDJZCZTQSA-N 2 0 307.457 2.532 20 0 DFADRP C[NH2+]CCc1ccccc1-c1nc(C2([NH3+])CCCCC2)no1 ZINC000424351315 429130362 /nfs/dbraw/zinc/13/03/62/429130362.db2.gz WCMJVEFXODJBGO-UHFFFAOYSA-N 2 0 300.406 2.617 20 0 DFADRP CC(C)(C)[NH2+]CCN1C[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C1 ZINC000424367179 429131222 /nfs/dbraw/zinc/13/12/22/429131222.db2.gz KRRJLOOBKLQFLD-ZWKOTPCHSA-N 2 0 301.478 2.581 20 0 DFADRP Cc1ccc(NC(=O)C[C@H](C)[NH2+][C@@H]2CCCC[C@H]2[NH3+])c(C)c1 ZINC000424373077 429131285 /nfs/dbraw/zinc/13/12/85/429131285.db2.gz XJUMJIHAXBPZJB-ZMSDIMECSA-N 2 0 303.450 2.880 20 0 DFADRP C[C@H]1CC2(C[N@@H+]1Cc1cnc([C@@H]3CCCO3)s1)CC[NH2+]CC2 ZINC000424370448 429132169 /nfs/dbraw/zinc/13/21/69/429132169.db2.gz CHURAPSMLUVGIT-ZFWWWQNUSA-N 2 0 321.490 2.959 20 0 DFADRP COc1ccc(-c2ccncc2)cc1C[N@@H+]1CC[C@H]([C@H](C)[NH3+])C1 ZINC000435373226 429132470 /nfs/dbraw/zinc/13/24/70/429132470.db2.gz CYMUDYBCVILANL-YOEHRIQHSA-N 2 0 311.429 2.926 20 0 DFADRP CCN(CC)c1ncc(C[N@@H+]2CC3(C[C@H]2C)CC[NH2+]CC3)s1 ZINC000424385152 429133646 /nfs/dbraw/zinc/13/36/46/429133646.db2.gz WABPQFLLTFTBAL-CQSZACIVSA-N 2 0 322.522 2.953 20 0 DFADRP C[C@@H]1CC2(C[N@@H+]1Cc1ccnn1-c1ccccc1)CC[NH2+]CC2 ZINC000424388033 429133977 /nfs/dbraw/zinc/13/39/77/429133977.db2.gz YZABUWZLXCVNSL-MRXNPFEDSA-N 2 0 310.445 2.836 20 0 DFADRP COc1ccncc1C[N@@H+]1CC[C@@H](CNc2cc(C)cc[nH+]2)C1 ZINC000376544820 429134114 /nfs/dbraw/zinc/13/41/14/429134114.db2.gz FHHUUJAPMMNGPD-HNNXBMFYSA-N 2 0 312.417 2.728 20 0 DFADRP C[NH2+]C[C@@H]1CCC[N@H+](C[C@@H](C)Cc2ccc(OC)c(F)c2)C1 ZINC000435369887 429134668 /nfs/dbraw/zinc/13/46/68/429134668.db2.gz GKAYJBGRKCZYNY-HOCLYGCPSA-N 2 0 308.441 2.944 20 0 DFADRP [NH3+]C[C@H]1CCC[N@H+](Cc2ccccc2OCc2cccnc2)C1 ZINC000435368387 429134802 /nfs/dbraw/zinc/13/48/02/429134802.db2.gz HUIISVGAHGTMSF-MRXNPFEDSA-N 2 0 311.429 2.831 20 0 DFADRP CC[N@H+](Cc1cccc(OCCOC)c1)[C@@H]1CCC[NH2+]CC1 ZINC000435390171 429137302 /nfs/dbraw/zinc/13/73/02/429137302.db2.gz OIFPTRNWEUUKLQ-QGZVFWFLSA-N 2 0 306.450 2.676 20 0 DFADRP CC1(C)Cc2cc(C[NH+]3CCC(OCCC[NH3+])CC3)ccc2O1 ZINC000435390496 429137352 /nfs/dbraw/zinc/13/73/52/429137352.db2.gz BGZMDYVOMPZBGB-UHFFFAOYSA-N 2 0 318.461 2.730 20 0 DFADRP CC[N@H+](Cc1ccc(-n2cncn2)c(C)c1)[C@H]1CCC[NH2+]CC1 ZINC000435381874 429137390 /nfs/dbraw/zinc/13/73/90/429137390.db2.gz WJDIHKQCQYNKCB-KRWDZBQOSA-N 2 0 313.449 2.540 20 0 DFADRP Cc1cc(C[NH3+])cc(NC(=O)NC[C@H](C)C[NH+]2CCCCC2)c1 ZINC000424446637 429141207 /nfs/dbraw/zinc/14/12/07/429141207.db2.gz SAURYFYETHKFDO-HNNXBMFYSA-N 2 0 318.465 2.697 20 0 DFADRP CC[N@@H+]1CC[C@@H](N(C)C(=O)Nc2cc(C)cc(C[NH3+])c2)C[C@@H]1C ZINC000424437818 429142227 /nfs/dbraw/zinc/14/22/27/429142227.db2.gz OTNDUMGYRFCZGW-WMLDXEAASA-N 2 0 318.465 2.790 20 0 DFADRP CCC[N@H+](C)C[C@H]1CCN(C(=O)Nc2cc(C)cc(C[NH3+])c2)C1 ZINC000424436784 429142334 /nfs/dbraw/zinc/14/23/34/429142334.db2.gz NFAWEAHUBDWTJQ-OAHLLOKOSA-N 2 0 318.465 2.649 20 0 DFADRP COCCCCC[N@H+](C)C1CCN(CCc2ccncc2)CC1 ZINC000364035973 429160800 /nfs/dbraw/zinc/16/08/00/429160800.db2.gz RFHPZWUIWMFYDF-UHFFFAOYSA-N 2 0 319.493 2.837 20 0 DFADRP C[C@@H]1C[C@H]([NH2+]Cc2ccccc2C[N@@H+]2CCC[C@@H]2CO)[C@@H]1C ZINC000494994654 429171272 /nfs/dbraw/zinc/17/12/72/429171272.db2.gz ILZXPFHFEPKWTQ-RGCFKVTRSA-N 2 0 302.462 2.777 20 0 DFADRP CC(C)[N@H+](C)Cc1cccc(C[NH2+][C@@H]2CCC(=O)NC2(C)C)c1 ZINC000494900463 429162995 /nfs/dbraw/zinc/16/29/95/429162995.db2.gz AKFWLUVYMXAEFR-QGZVFWFLSA-N 2 0 317.477 2.674 20 0 DFADRP C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)Nc1ccc(Cl)c(CN(C)C)c1 ZINC000487527293 429159234 /nfs/dbraw/zinc/15/92/34/429159234.db2.gz ZVLZRWGYNIMVTM-RISCZKNCSA-N 2 0 309.841 2.538 20 0 DFADRP c1ccc2c(c1)C[C@@H]1C[N@H+](CCC[NH+]3CCCCC3)CCCN21 ZINC000289586708 275070448 /nfs/dbraw/zinc/07/04/48/275070448.db2.gz WVIXTIGGLREUKA-LJQANCHMSA-N 2 0 313.489 2.999 20 0 DFADRP C[C@H](CC[NH2+][C@H]1CCC(=O)NC1(C)C)[N@H+](C)Cc1ccccc1 ZINC000495077927 429177318 /nfs/dbraw/zinc/17/73/18/429177318.db2.gz GVAZFJYKPRBZKR-WBVHZDCISA-N 2 0 317.477 2.544 20 0 DFADRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+][C@H]1CS[C@@H](C(C)(C)C)C1 ZINC000488542221 429180871 /nfs/dbraw/zinc/18/08/71/429180871.db2.gz JOTUFCAXHUXTSR-BZUAXINKSA-N 2 0 313.555 2.522 20 0 DFADRP C[N@@H+]1CCN(CC[NH2+][C@H]2CCCc3ccc(F)cc32)CC1(C)C ZINC000442881352 429238286 /nfs/dbraw/zinc/23/82/86/429238286.db2.gz ZFVZOWRBLBOZOX-SFHVURJKSA-N 2 0 319.468 2.819 20 0 DFADRP COC1(C[NH2+]C[C@H]2CC[N@H+](C)[C@@H]2c2cccs2)CCOCC1 ZINC000364762757 429263495 /nfs/dbraw/zinc/26/34/95/429263495.db2.gz BXKWHDUYGNSBJI-ZBFHGGJFSA-N 2 0 324.490 2.526 20 0 DFADRP CS[C@@H]1CC[C@@H]1[NH2+]Cc1ccccc1C[N@@H+]1CCC[C@H]1CO ZINC000425343017 429269678 /nfs/dbraw/zinc/26/96/78/429269678.db2.gz HWJAWZXYFZDLJU-OKZBNKHCSA-N 2 0 320.502 2.627 20 0 DFADRP COc1ccc(CN(C)Cc2cnc(N(C)C)n2C)cc1Cl ZINC000425367386 429279078 /nfs/dbraw/zinc/27/90/78/429279078.db2.gz HWLZVZDPNRYXDS-UHFFFAOYSA-N 2 0 322.840 2.780 20 0 DFADRP C[NH2+][C@@H](CC(C)(C)C)C(=O)NCCCC[NH+]1CCC(C)CC1 ZINC000449083551 429327526 /nfs/dbraw/zinc/32/75/26/429327526.db2.gz CDNFHJJWBPXONR-INIZCTEOSA-N 2 0 311.514 2.639 20 0 DFADRP C[C@@H]1CC[C@H](C)[C@@H]([NH2+]Cc2cccnc2N2CC[NH+](C)CC2)C1 ZINC000449103319 429333264 /nfs/dbraw/zinc/33/32/64/429333264.db2.gz AQDBPNJKEVZLJH-RYRKJORJSA-N 2 0 316.493 2.748 20 0 DFADRP CC[C@H]([NH2+]Cc1cccc(C(=O)NCC[NH+](C)C)c1)C1CCC1 ZINC000449115746 429335837 /nfs/dbraw/zinc/33/58/37/429335837.db2.gz ILUHGYBHRMCJBX-SFHVURJKSA-N 2 0 317.477 2.646 20 0 DFADRP C[C@@H]([NH3+])c1ccc(NC(=O)[C@@]2(c3ccccc3)CC[NH2+]C2)cc1 ZINC000449130100 429339647 /nfs/dbraw/zinc/33/96/47/429339647.db2.gz XKKKRUDCFBEGRR-KUHUBIRLSA-N 2 0 309.413 2.576 20 0 DFADRP C[C@@H](C[NH2+][C@@H]1CCCC12CCCCC2)CN1CC[NH+](C)CC1 ZINC000449131267 429339750 /nfs/dbraw/zinc/33/97/50/429339750.db2.gz LHSVGMSMGGNRSC-ZWKOTPCHSA-N 2 0 307.526 2.963 20 0 DFADRP CCC[C@H](O)C[NH2+]C1CC[NH+]([C@@H](C)Cc2ccccc2)CC1 ZINC000449142684 429341537 /nfs/dbraw/zinc/34/15/37/429341537.db2.gz GNHZIMCUROKIGB-LPHOPBHVSA-N 2 0 304.478 2.833 20 0 DFADRP C[NH2+][C@@H](CC(C)(C)C)C(=O)NC1CC[NH+](C2CCCC2)CC1 ZINC000449140086 429342091 /nfs/dbraw/zinc/34/20/91/429342091.db2.gz ICNIJQKWMFDPQK-INIZCTEOSA-N 2 0 309.498 2.534 20 0 DFADRP OC[C@@H]1CCC[N@@H+]1CCCC[NH2+]Cc1cccc2ccoc21 ZINC000449146013 429343865 /nfs/dbraw/zinc/34/38/65/429343865.db2.gz AZRDAIDCXJOMOL-KRWDZBQOSA-N 2 0 302.418 2.759 20 0 DFADRP OC[C@H]1CCc2ccccc2[C@H]1[NH2+]CCC[NH+]1CCCCC1 ZINC000365267198 429290858 /nfs/dbraw/zinc/29/08/58/429290858.db2.gz NMWJYEPLEIIHJE-MJGOQNOKSA-N 2 0 302.462 2.748 20 0 DFADRP O[C@@H](Cc1ccccc1)C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000425415827 429291566 /nfs/dbraw/zinc/29/15/66/429291566.db2.gz FVYGLUJEYNXFLD-YSIASYRMSA-N 2 0 314.473 2.539 20 0 DFADRP CO[C@@H](C[N@H+](C)[C@@H]1CCC[NH+](C[C@@H](OC)C2CC2)CC1)C1CC1 ZINC000425425787 429293531 /nfs/dbraw/zinc/29/35/31/429293531.db2.gz UWFRSDZTODFGGS-CEXWTWQISA-N 2 0 324.509 2.623 20 0 DFADRP CO[C@@H](C[N@@H+]1CC[C@H](n2c(C)nc3c2CCCC3)C1)C1CC1 ZINC000425432742 429295592 /nfs/dbraw/zinc/29/55/92/429295592.db2.gz JFBSHVGRMZUEGP-YJBOKZPZSA-N 2 0 303.450 2.742 20 0 DFADRP CNC(=O)OC[C@H]1CCCC[N@@H+]1CCCc1ccc(C)nc1 ZINC000495947068 429298020 /nfs/dbraw/zinc/29/80/20/429298020.db2.gz OKMWZESHBLQVMS-MRXNPFEDSA-N 2 0 305.422 2.533 20 0 DFADRP CCNC(=O)OC[C@H]1CCCC[N@@H+]1CCCc1ccc(C)nc1 ZINC000495947341 429298678 /nfs/dbraw/zinc/29/86/78/429298678.db2.gz POAYNRWQQFUVAW-QGZVFWFLSA-N 2 0 319.449 2.923 20 0 DFADRP C[C@@H]1CC[N@H+](CC(=O)NC[C@H](c2ccccc2)[NH+](C)C)[C@H](C)C1 ZINC000425519878 429316242 /nfs/dbraw/zinc/31/62/42/429316242.db2.gz HDOVMOVDBJQKSV-JFIYKMOQSA-N 2 0 317.477 2.526 20 0 DFADRP C([NH+]1CC[C@H]2CCC[C@H]21)C1(C[N@@H+]2CC[C@@H]3CCC[C@@H]32)COC1 ZINC000426457191 429391993 /nfs/dbraw/zinc/39/19/93/429391993.db2.gz XRLJZTPEUWROFE-USTZCAOPSA-N 2 0 304.478 2.752 20 0 DFADRP C[C@@H](Cc1ccccc1)[NH+]1CCC([NH2+]C[C@@H](CO)C2CC2)CC1 ZINC000449338953 429392941 /nfs/dbraw/zinc/39/29/41/429392941.db2.gz TUDQHNJLTFNLQL-LPHOPBHVSA-N 2 0 316.489 2.690 20 0 DFADRP C[N@@H+]1C[C@@H]2C[NH+](C[C@@H]3CCSC3)C[C@@H]2[C@@H]1c1ccccc1 ZINC000365876838 429394352 /nfs/dbraw/zinc/39/43/52/429394352.db2.gz LKNVPDQHRWQLOH-RANZSIQMSA-N 2 0 302.487 2.974 20 0 DFADRP C[NH+]1CCC(CC(=O)N[C@@H]2CCC[N@@H+](C3CCCCC3)C2)CC1 ZINC000365881924 429396581 /nfs/dbraw/zinc/39/65/81/429396581.db2.gz DTZNAIJFDWBUPB-QGZVFWFLSA-N 2 0 321.509 2.632 20 0 DFADRP C[C@H](CCO)C[NH2+]C1CC[NH+]([C@@H](C)Cc2ccccc2)CC1 ZINC000449169696 429348684 /nfs/dbraw/zinc/34/86/84/429348684.db2.gz DPKHTKFOTYPMCW-SJORKVTESA-N 2 0 304.478 2.690 20 0 DFADRP c1c(C[N@@H+]2CCC[C@]3(CCSC3)C2)onc1C1CC[NH2+]CC1 ZINC000425893197 429349412 /nfs/dbraw/zinc/34/94/12/429349412.db2.gz BSMNPBPGNAQFRQ-KRWDZBQOSA-N 2 0 321.490 2.861 20 0 DFADRP O[C@@H]1CCCC[C@H]1CCC[NH2+]Cc1cc(C2CC[NH2+]CC2)no1 ZINC000425897984 429351020 /nfs/dbraw/zinc/35/10/20/429351020.db2.gz XBJQBZRMQJVBNH-MAUKXSAKSA-N 2 0 321.465 2.563 20 0 DFADRP CC(C)(C[NH2+]Cc1cc(C2CC[NH2+]CC2)no1)c1ccccn1 ZINC000425895619 429351243 /nfs/dbraw/zinc/35/12/43/429351243.db2.gz KAYGBNFGAZUINA-UHFFFAOYSA-N 2 0 314.433 2.604 20 0 DFADRP Fc1cccc(F)c1CC[NH2+]Cc1cc(C2CC[NH2+]CC2)no1 ZINC000425902421 429351563 /nfs/dbraw/zinc/35/15/63/429351563.db2.gz SJNNOPZGYRMXEB-UHFFFAOYSA-N 2 0 321.371 2.752 20 0 DFADRP c1cc2c(cccc2CC[NH2+]Cc2cc(C3CC[NH2+]CC3)no2)[nH]1 ZINC000425898099 429351800 /nfs/dbraw/zinc/35/18/00/429351800.db2.gz XVJCHNYQOSGFPV-UHFFFAOYSA-N 2 0 324.428 2.955 20 0 DFADRP Cn1cnc(CC[NH2+]C2CC[NH+](C(C)(C)CC(C)(C)C)CC2)n1 ZINC000449187003 429353272 /nfs/dbraw/zinc/35/32/72/429353272.db2.gz CXGDNYJFHPZFHB-UHFFFAOYSA-N 2 0 321.513 2.626 20 0 DFADRP CC(C)C[NH+]1CCC(NC(=O)C2(C[NH+](C)C)CCCCC2)CC1 ZINC000426130665 429367965 /nfs/dbraw/zinc/36/79/65/429367965.db2.gz KWPDCJRFIARUOL-UHFFFAOYSA-N 2 0 323.525 2.735 20 0 DFADRP COc1ccc(OC2CC[NH+](C[C@H]3CC[NH2+][C@@H](C)C3)CC2)cc1 ZINC000518130910 429410224 /nfs/dbraw/zinc/41/02/24/429410224.db2.gz HAZZWOSLXWILNZ-HOTGVXAUSA-N 2 0 318.461 2.927 20 0 DFADRP C[C@@H](O)CCC[NH2+]C1CC[NH+]([C@H](C)Cc2ccccc2)CC1 ZINC000449291594 429378692 /nfs/dbraw/zinc/37/86/92/429378692.db2.gz MPLMXDKRUDYRTA-IAGOWNOFSA-N 2 0 304.478 2.833 20 0 DFADRP COCC(C)(C)C[N@H+](C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000426360499 429384918 /nfs/dbraw/zinc/38/49/18/429384918.db2.gz ZOLRQYTWCYSNBL-UHFFFAOYSA-N 2 0 305.466 2.902 20 0 DFADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)C[C@H]2CCCC[C@H]2[NH3+])C1 ZINC000449325906 429387947 /nfs/dbraw/zinc/38/79/47/429387947.db2.gz QKFDSCNGBVWRTA-XMTFNYHQSA-N 2 0 323.525 2.768 20 0 DFADRP C[NH+](C)[C@H](CNC(=O)C[C@H]1CCCC[C@@H]1[NH3+])C1CCCCC1 ZINC000449321083 429388236 /nfs/dbraw/zinc/38/82/36/429388236.db2.gz RGMJDEBFGBHVIK-IXDOHACOSA-N 2 0 309.498 2.521 20 0 DFADRP C[C@@H]1C[NH2+]C[C@H]1C(=O)Nc1ccc(C[NH+]2CCC(C)CC2)cc1 ZINC000449324034 429388901 /nfs/dbraw/zinc/38/89/01/429388901.db2.gz XLNMEAKCJDUZSC-CRAIPNDOSA-N 2 0 315.461 2.713 20 0 DFADRP CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)C[C@H]2CCC[NH2+]CC2)C1 ZINC000427294465 429443403 /nfs/dbraw/zinc/44/34/03/429443403.db2.gz ITZXTSSOFKVFIX-SJORKVTESA-N 2 0 323.525 2.783 20 0 DFADRP C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)C[C@@H]2CCC[NH2+]CC2)C1 ZINC000427299726 429444436 /nfs/dbraw/zinc/44/44/36/429444436.db2.gz PNKBYIMHJSRNNH-BRWVUGGUSA-N 2 0 323.525 2.639 20 0 DFADRP C[NH+](C)CC1(C(=O)NCC[N@@H+]2CCCC(C)(C)C2)CCCCC1 ZINC000427422506 429449995 /nfs/dbraw/zinc/44/99/95/429449995.db2.gz VWWDQHWCEBKGNW-UHFFFAOYSA-N 2 0 323.525 2.737 20 0 DFADRP c1csc([C@@H]([NH2+]C[C@@H]2CCCn3ccnc32)c2ncc[nH]2)c1 ZINC000366440575 429452862 /nfs/dbraw/zinc/45/28/62/429452862.db2.gz BWMHOPLMORLMIH-GXTWGEPZSA-N 2 0 313.430 2.924 20 0 DFADRP CC[N@H+](Cc1ccc(C(=O)N[C@H](C)CCC[NH3+])cc1)C1CC1 ZINC000449571347 429452792 /nfs/dbraw/zinc/45/27/92/429452792.db2.gz JVRSIVBMZJWNSW-CQSZACIVSA-N 2 0 303.450 2.528 20 0 DFADRP CC[C@@H]([NH2+]C1CC[NH+](C2CCCCC2)CC1)[C@@H](O)C(F)F ZINC000449425052 429412869 /nfs/dbraw/zinc/41/28/69/429412869.db2.gz QXFCAMKPWNDSEG-HUUCEWRRSA-N 2 0 304.425 2.778 20 0 DFADRP C(CC12CC3CC(CC(C3)C1)C2)[NH+]1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000261626196 275722279 /nfs/dbraw/zinc/72/22/79/275722279.db2.gz CPMWAHCZFHTAMD-WFRNDULYSA-N 2 0 317.521 2.572 20 0 DFADRP CCC[C@H]([NH3+])C(=O)NC[C@H](CC(C)C)[NH2+][C@@H](C)c1ccccc1 ZINC000518369879 429419412 /nfs/dbraw/zinc/41/94/12/429419412.db2.gz CYHMQSRESJJANS-SZMVWBNQSA-N 2 0 319.493 2.996 20 0 DFADRP CO[C@@H]1COCC[C@@H]1C[NH2+]C1CC[NH+]([C@H]2CCCC[C@H]2C)CC1 ZINC000449449901 429421323 /nfs/dbraw/zinc/42/13/23/429421323.db2.gz AERJTXJTYRWQJX-ZAWLATJESA-N 2 0 324.509 2.671 20 0 DFADRP CC[C@](C)(C[NH2+]Cc1nc2c(s1)CN(C(C)C)CC2)OC ZINC000449476425 429429781 /nfs/dbraw/zinc/42/97/81/429429781.db2.gz MXKGHVUOMSMWAI-MRXNPFEDSA-N 2 0 311.495 2.814 20 0 DFADRP CCC[NH+](CCC)CCCC(=O)N1CCCC[C@H]1C[NH+](C)C ZINC000518689950 429430209 /nfs/dbraw/zinc/43/02/09/429430209.db2.gz XCZBTINSUDWFIA-KRWDZBQOSA-N 2 0 311.514 2.831 20 0 DFADRP COc1ccc(C[C@H](C)C[N@@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)cc1F ZINC000427119743 429432846 /nfs/dbraw/zinc/43/28/46/429432846.db2.gz MFWSPELGOHPDNN-YSVLISHTSA-N 2 0 306.425 2.697 20 0 DFADRP Cc1ccc(C[N@@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)c(-c2ccnn2C)c1 ZINC000427121472 429433140 /nfs/dbraw/zinc/43/31/40/429433140.db2.gz ITKLREDLGVXSGO-WMZOPIPTSA-N 2 0 310.445 2.579 20 0 DFADRP CC(C)c1ccc([C@H]([NH3+])CNC(=O)C[C@@H]2CCCC[C@@H]2[NH3+])cc1 ZINC000294910434 275748361 /nfs/dbraw/zinc/74/83/61/275748361.db2.gz CCECRYGOQWOEQS-OKZBNKHCSA-N 2 0 317.477 2.834 20 0 DFADRP CCO[C@H]1CC[N@H+](Cc2cn(-c3cc[nH+]cc3)nc2C)C[C@@H]1C ZINC000449503750 429436292 /nfs/dbraw/zinc/43/62/92/429436292.db2.gz PTYCQPCTXIIZGL-KSSFIOAISA-N 2 0 314.433 2.823 20 0 DFADRP CCC[N@H+](CC)C[C@@H](C)NC(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC000427871809 429475913 /nfs/dbraw/zinc/47/59/13/429475913.db2.gz IYUUABVJAIEPIT-IAGOWNOFSA-N 2 0 311.514 2.734 20 0 DFADRP C[C@H](C(=O)Nc1ccccc1C[NH+](C)C)[NH+]1CCCCCC1 ZINC000519676258 429478049 /nfs/dbraw/zinc/47/80/49/429478049.db2.gz HVJFVOPAWCYNCR-OAHLLOKOSA-N 2 0 303.450 2.951 20 0 DFADRP Cc1ccc(NC(=O)[C@@H](C)N2CC[C@@]3(CC[N@H+](C)C3)C2)c(C)c1 ZINC000366571610 429478565 /nfs/dbraw/zinc/47/85/65/429478565.db2.gz XZRVFSNTSBRVEP-VQIMIIECSA-N 2 0 315.461 2.658 20 0 DFADRP CC[N@@H+]1CC[C@H](N(C)C(=O)C2C[NH+](C3CCCCC3)C2)C[C@@H]1C ZINC000457582226 429490616 /nfs/dbraw/zinc/49/06/16/429490616.db2.gz RSMQMMVPGUVFBO-YJBOKZPZSA-N 2 0 321.509 2.582 20 0 DFADRP CC[NH+]1CCN(CC(C)(C)[NH2+]Cc2cnc(C(C)C)s2)CC1 ZINC000449743664 429492493 /nfs/dbraw/zinc/49/24/93/429492493.db2.gz ADKISTUCDKHZJS-UHFFFAOYSA-N 2 0 324.538 2.772 20 0 DFADRP CCCc1csc(C[NH2+]C(C)(C)CN2CC[NH+](CC)CC2)n1 ZINC000449744341 429495963 /nfs/dbraw/zinc/49/59/63/429495963.db2.gz GLFBEFJAGBXBRO-UHFFFAOYSA-N 2 0 324.538 2.601 20 0 DFADRP CC[NH+]1CCN(CC(C)(C)[NH2+]Cc2ccc(Cl)cc2)CC1 ZINC000449757667 429500632 /nfs/dbraw/zinc/50/06/32/429500632.db2.gz XZNIXBPTAMEFGW-UHFFFAOYSA-N 2 0 309.885 2.846 20 0 DFADRP Cc1cnc([C@@H](C)[N@@H+]2CC[C@@H](CNc3cccc(C)[nH+]3)C2)cn1 ZINC000428237629 429502963 /nfs/dbraw/zinc/50/29/63/429502963.db2.gz BJMBLXFJECBTKH-CVEARBPZSA-N 2 0 311.433 2.983 20 0 DFADRP COc1cc(F)cc(C[C@H](C)[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000449783046 429509048 /nfs/dbraw/zinc/50/90/48/429509048.db2.gz MVZCPRYGSWYFGY-RRQGHBQHSA-N 2 0 306.425 2.982 20 0 DFADRP COCC1(C[NH2+][C@@H]2CCN(Cc3ccccn3)C[C@H]2C)CCC1 ZINC000367092503 429576129 /nfs/dbraw/zinc/57/61/29/429576129.db2.gz OSPUCAGVMVZOHT-SJLPKXTDSA-N 2 0 317.477 2.698 20 0 DFADRP CC1CC[NH+](Cc2ccc(NC(=O)[C@@H]3CC[N@H+](C)C3)cc2)CC1 ZINC000522146594 429582302 /nfs/dbraw/zinc/58/23/02/429582302.db2.gz NIMIHQSZLANBPA-QGZVFWFLSA-N 2 0 315.461 2.809 20 0 DFADRP COC(=O)[C@H](CC(C)C)[NH+]1CCC2(C[C@@H]2C[N@H+](C)C2CC2)CC1 ZINC000367132708 429584605 /nfs/dbraw/zinc/58/46/05/429584605.db2.gz FPSFXJBKCDBAEZ-WBVHZDCISA-N 2 0 322.493 2.770 20 0 DFADRP C[S@@](=O)C1(C[NH2+]C2CC[NH+](C3CCCCC3)CC2)CCC1 ZINC000367162459 429588243 /nfs/dbraw/zinc/58/82/43/429588243.db2.gz BNCCCRPZQXJCPL-OAQYLSRUSA-N 2 0 312.523 2.674 20 0 DFADRP C[C@@H]1C[C@H]([NH2+]C[C@@]2(CO)C[C@@H]2c2ccc(F)cc2)CN1C1CC1 ZINC000428544711 429533906 /nfs/dbraw/zinc/53/39/06/429533906.db2.gz UHWNXKGWYQGKCS-ZFKCKOODSA-N 2 0 318.436 2.507 20 0 DFADRP Cc1ccc(NC(=O)C[C@H](C)[NH2+]CCC[NH2+]C(C)C)c(C)c1 ZINC000521025833 429535621 /nfs/dbraw/zinc/53/56/21/429535621.db2.gz UGPBVFZUEYCIEH-INIZCTEOSA-N 2 0 305.466 2.998 20 0 DFADRP CC[N@H+](Cc1ccc(C(=O)NCC([NH3+])(CC)CC)cc1)C1CC1 ZINC000429642045 429622665 /nfs/dbraw/zinc/62/26/65/429622665.db2.gz XSZJDGRARRBVFM-UHFFFAOYSA-N 2 0 317.477 2.918 20 0 DFADRP CC(C)[N@@H+]1CCCC[C@@H]1CN1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000450452247 429630117 /nfs/dbraw/zinc/63/01/17/429630117.db2.gz LUOHURXNEWLCRF-RTBURBONSA-N 2 0 307.526 2.913 20 0 DFADRP CC[NH+](CC)CCOC1CC[NH+](CC2CCC(=O)CC2)CC1 ZINC000450452328 429630248 /nfs/dbraw/zinc/63/02/48/429630248.db2.gz MDQMGHGZHVSJFA-UHFFFAOYSA-N 2 0 310.482 2.569 20 0 DFADRP C[NH+](C)C1(CNC(=O)[C@@H]2CCCCCC[C@@H]2[NH3+])CCCCC1 ZINC000429759583 429631099 /nfs/dbraw/zinc/63/10/99/429631099.db2.gz QDAUXNBLAXRZGY-CVEARBPZSA-N 2 0 309.498 2.665 20 0 DFADRP C[NH+](CC1CC1)C[C@H]1CCN(CC[N@@H+](C)Cc2ccccc2)C1 ZINC000450456778 429631264 /nfs/dbraw/zinc/63/12/64/429631264.db2.gz UJVNCTXCWLKVAT-HXUWFJFHSA-N 2 0 315.505 2.782 20 0 DFADRP C(CC[NH+]1CCC[C@@]12CCOC2)CC[N@@H+]1CCC[C@@]12CCOC2 ZINC000367459689 429651251 /nfs/dbraw/zinc/65/12/51/429651251.db2.gz VJKADHPQUYLWLJ-OALUTQOASA-N 2 0 322.493 2.667 20 0 DFADRP COC1(C[C@H](C)[NH2+]C2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)CCC1 ZINC000429419387 429606922 /nfs/dbraw/zinc/60/69/22/429606922.db2.gz QTPDJSKLVBVWEP-CGTJXYLNSA-N 2 0 324.509 2.692 20 0 DFADRP CCC[NH+]1CCC([NH2+]C[C@]2(CO)C[C@H]2c2ccc(F)cc2)CC1 ZINC000429422554 429608657 /nfs/dbraw/zinc/60/86/57/429608657.db2.gz ZSNWMWMYHBJVQQ-OALUTQOASA-N 2 0 320.452 2.756 20 0 DFADRP C[C@@H]([NH3+])c1ccc(CNC(=O)[C@@H](C)[NH+]2CCCCCC2)cc1 ZINC000429485642 429610821 /nfs/dbraw/zinc/61/08/21/429610821.db2.gz UFVCEVHAYIYVBX-HUUCEWRRSA-N 2 0 303.450 2.587 20 0 DFADRP Cc1cc(NC(=O)[C@@H]2CCC[N@@H+]2C2CC2)ccc1C[NH+](C)C ZINC000458273292 429612228 /nfs/dbraw/zinc/61/22/28/429612228.db2.gz WPNXHVGGDUHQRF-KRWDZBQOSA-N 2 0 301.434 2.622 20 0 DFADRP CCN(CCC[N@@H+]1CCC[C@@H]([NH+](C)C)CC1)CC(F)(F)F ZINC000429536165 429613802 /nfs/dbraw/zinc/61/38/02/429613802.db2.gz JMRMLTXGZBGQGG-CQSZACIVSA-N 2 0 309.420 2.677 20 0 DFADRP Cc1ccc(C[NH+]2CCN([C@H]3CCC[N@@H+](C)C3)CC2)c(C)c1 ZINC000367472406 429656679 /nfs/dbraw/zinc/65/66/79/429656679.db2.gz KTPJVURIMFFTTQ-IBGZPJMESA-N 2 0 301.478 2.515 20 0 DFADRP COC(=O)[C@H]1CC[N@H+](CCCc2ccc(C)nc2)[C@H]1C(C)C ZINC000430148731 429657254 /nfs/dbraw/zinc/65/72/54/429657254.db2.gz SVIIPXKFUYWKAS-IRXDYDNUSA-N 2 0 304.434 2.842 20 0 DFADRP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@@H+]2C[C@H]1CCCCC1(F)F ZINC000450598602 429658130 /nfs/dbraw/zinc/65/81/30/429658130.db2.gz JQAACYVRXLWARL-FPCVCCKLSA-N 2 0 316.436 2.995 20 0 DFADRP CC(C)[NH+]1CCN([C@H]2CC[N@H+](C[C@@H]3CCC[C@@H](C)C3)C2)CC1 ZINC000367494754 429659204 /nfs/dbraw/zinc/65/92/04/429659204.db2.gz HDRWUKCRXDFEJW-QRVBRYPASA-N 2 0 307.526 2.913 20 0 DFADRP C[N@H+](CC[C@@H]1CCOC1)[C@@H]1CCC[NH+](CC[C@H]2CCOC2)CC1 ZINC000450613005 429661209 /nfs/dbraw/zinc/66/12/09/429661209.db2.gz LUYKAQDMQAHANE-CEXWTWQISA-N 2 0 324.509 2.626 20 0 DFADRP C[N@@H+]1CC[C@H]([NH2+]Cc2ccc(OCC3CC3)nc2)[C@H]2CCC[C@H]21 ZINC000367517651 429663678 /nfs/dbraw/zinc/66/36/78/429663678.db2.gz CVPGILXNHSZOEU-FGTMMUONSA-N 2 0 315.461 2.833 20 0 DFADRP C[N@@H+](CC/C=C/c1ccccc1)CCCN1CC[NH+](C)CC1 ZINC000450630911 429664272 /nfs/dbraw/zinc/66/42/72/429664272.db2.gz AJDFCASWGJPWSJ-IZZDOVSWSA-N 2 0 301.478 2.659 20 0 DFADRP C[NH+]1CCC2(CCC[N@H+](CC[C@@H](O)c3ccccc3)C2)CC1 ZINC000367530395 429665815 /nfs/dbraw/zinc/66/58/15/429665815.db2.gz DJAZXUUSFJYLBO-GOSISDBHSA-N 2 0 302.462 2.918 20 0 DFADRP CCc1nn(C)c(CC)c1C[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@H]21 ZINC000367539335 429667702 /nfs/dbraw/zinc/66/77/02/429667702.db2.gz YRUUNJBICRTDNK-FDQGKXFDSA-N 2 0 304.482 2.507 20 0 DFADRP CO[C@@H](Cc1ccccc1)C[NH+]1CCC2(CCC[N@@H+]2C)CC1 ZINC000450642149 429668485 /nfs/dbraw/zinc/66/84/85/429668485.db2.gz HAOYAPQLXDKVKA-SFHVURJKSA-N 2 0 302.462 2.804 20 0 DFADRP CC[N@H+](C)Cc1cccc(C[NH2+][C@@H]2CC[NH+](CC)C[C@H]2C)c1 ZINC000123921536 276075872 /nfs/dbraw/zinc/07/58/72/276075872.db2.gz CSWCMFWKFPAKHS-VQIMIIECSA-N 3 0 303.494 2.958 20 0 DFADRP C[C@@H](c1ccccc1)[C@H](O)C[NH+]1CCC2(CCC[N@@H+]2C)CC1 ZINC000450650000 429671012 /nfs/dbraw/zinc/67/10/12/429671012.db2.gz YHSAHRZNBGQGKZ-FUHWJXTLSA-N 2 0 302.462 2.711 20 0 DFADRP CC[N@H+](CCN[C@H](C)[C@H]1CC[NH+](Cc2ccccc2)C1)C1CC1 ZINC000274954590 276132007 /nfs/dbraw/zinc/13/20/07/276132007.db2.gz VPTTVRDVSFFGIB-MJGOQNOKSA-N 2 0 315.505 2.971 20 0 DFADRP CC[NH+]1CCN(CCC[NH2+][C@H]2CCc3cc(Cl)ccc32)CC1 ZINC000154315564 276194988 /nfs/dbraw/zinc/19/49/88/276194988.db2.gz ZSTJAFBNLUSOSD-SFHVURJKSA-N 2 0 321.896 2.945 20 0 DFADRP CC1CC[NH+](CCC[NH2+]C2CCN(CC(F)(F)F)CC2)CC1 ZINC000236701938 276196824 /nfs/dbraw/zinc/19/68/24/276196824.db2.gz OQWRLYPVFBBTAU-UHFFFAOYSA-N 2 0 321.431 2.725 20 0 DFADRP CC[N@@H+]1CC[C@@H]([NH+](C)CCC(=O)Nc2ccccc2F)C[C@H]1C ZINC000354211859 276213839 /nfs/dbraw/zinc/21/38/39/276213839.db2.gz YPRYQLCKPIILQE-HUUCEWRRSA-N 2 0 321.440 2.959 20 0 DFADRP CC[N@@H+]1CC[C@@H](NC2CC[NH+](Cc3ccccc3)CC2)[C@H](C)C1 ZINC000132326663 276216623 /nfs/dbraw/zinc/21/66/23/276216623.db2.gz ZZOAIRICSVPTKD-YLJYHZDGSA-N 2 0 315.505 2.971 20 0 DFADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@H](C)N2CCc3ccccc32)[C@H](C)C1 ZINC000246969225 276229347 /nfs/dbraw/zinc/22/93/47/276229347.db2.gz JIPLQTHWIHISBU-RYRKJORJSA-N 2 0 301.478 2.758 20 0 DFADRP Cc1ccccc1OCCC[NH+]1CCC(OCCC[NH3+])CC1 ZINC000430553161 429690222 /nfs/dbraw/zinc/69/02/22/429690222.db2.gz CUFBFPQBUKLFNV-UHFFFAOYSA-N 2 0 306.450 2.594 20 0 DFADRP COc1cccc(O[C@H](C)C[NH2+][C@@H]2CC[N@H+](C)[C@@H]3CCC[C@H]32)c1 ZINC000367606544 429685361 /nfs/dbraw/zinc/68/53/61/429685361.db2.gz KATHSVPRGHYXMV-ZWQIFLOQSA-N 2 0 318.461 2.925 20 0 DFADRP C[N@@H+]1CC[C@H](NCc2ccn(C3CCCC3)n2)[C@@H]2CCC[C@H]21 ZINC000367611290 429685515 /nfs/dbraw/zinc/68/55/15/429685515.db2.gz BNNZZHHCMBVJIO-OKZBNKHCSA-N 2 0 302.466 2.961 20 0 DFADRP CCC[C@H]([NH2+]C(C)C)C(=O)N[C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000355915536 276286501 /nfs/dbraw/zinc/28/65/01/276286501.db2.gz HWXZKPTYNZWUNY-JZXOWHBKSA-N 2 0 323.525 2.922 20 0 DFADRP CCc1ccc(NC(=O)[C@H](C)N2CCC[C@@H]([C@@H](C)[NH3+])C2)cc1 ZINC000430548535 429688869 /nfs/dbraw/zinc/68/88/69/429688869.db2.gz LXNIUOYXSPJLCZ-IJEWVQPXSA-N 2 0 303.450 2.635 20 0 DFADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]C2C[C@H](C)O[C@@H](C)C2)[C@@H](C)C1 ZINC000339097657 276315588 /nfs/dbraw/zinc/31/55/88/276315588.db2.gz ZRIXDDYWZLHRQG-OVWQWFNUSA-N 2 0 312.498 2.669 20 0 DFADRP CC[NH+]1CCC(NC(=O)C[N@@H+]2CCC[C@H](C(C)(C)C)CC2)CC1 ZINC000116309204 276359245 /nfs/dbraw/zinc/35/92/45/276359245.db2.gz YYSHVIPASDVOOF-INIZCTEOSA-N 2 0 323.525 2.735 20 0 DFADRP CC(C)[C@@H]([NH3+])CC[N@H+](C)CCC(=O)Nc1ccc(Cl)cc1 ZINC000430591041 429698372 /nfs/dbraw/zinc/69/83/72/429698372.db2.gz JNONHGFIHWPAPJ-HNNXBMFYSA-N 2 0 311.857 2.974 20 0 DFADRP C[C@H]1CN(c2ncnc3[nH]ccc32)CC[N@H+](Cc2ccccc2)C1 ZINC000450813421 429704030 /nfs/dbraw/zinc/70/40/30/429704030.db2.gz SHZQLHPFPIFSLV-OAHLLOKOSA-N 2 0 321.428 2.916 20 0 DFADRP C[N@H+](Cc1ccccc1)C1CCC([NH2+]C[C@@H]2[C@H]3COC[C@H]32)CC1 ZINC000367714265 429704637 /nfs/dbraw/zinc/70/46/37/429704637.db2.gz ZVXGTEYOGOIGMO-ZYUSWAADSA-N 2 0 314.473 2.912 20 0 DFADRP C[NH2+]C[C@H]1CCC[N@H+](CCC(=O)Nc2ccccc2SC)C1 ZINC000430641954 429705011 /nfs/dbraw/zinc/70/50/11/429705011.db2.gz JQQYYSAAWLCWSU-CQSZACIVSA-N 2 0 321.490 2.669 20 0 DFADRP C[C@H](C(=O)N[C@@H](C)c1ccc(Cl)cc1)[NH+]1CCC(C[NH3+])CC1 ZINC000430636629 429705934 /nfs/dbraw/zinc/70/59/34/429705934.db2.gz YYFXQKQXBNUGBE-QWHCGFSZSA-N 2 0 323.868 2.576 20 0 DFADRP C[NH2+]C[C@H]1CCC[N@H+](Cc2ccc(-n3nc(C)cc3C)cc2)C1 ZINC000430659627 429706773 /nfs/dbraw/zinc/70/67/73/429706773.db2.gz BJQQWAXZJAZUPQ-GOSISDBHSA-N 2 0 312.461 2.921 20 0 DFADRP [NH3+]C[C@H]1CCC[N@H+](Cc2ccc(OCc3ccccn3)cc2)C1 ZINC000430658984 429707357 /nfs/dbraw/zinc/70/73/57/429707357.db2.gz YJIOVIHCUWQVJN-QGZVFWFLSA-N 2 0 311.429 2.831 20 0 DFADRP C[N@H+](C[C@@H](O)c1ccc(Cl)cc1)C[C@H]1CCn2ccnc2C1 ZINC000367721462 429707865 /nfs/dbraw/zinc/70/78/65/429707865.db2.gz OHYXSDMXZWPFPW-XJKSGUPXSA-N 2 0 319.836 2.764 20 0 DFADRP CC[NH+](CC)CC1CCN(C(=O)[C@H]2CCCCCC[C@@H]2[NH3+])CC1 ZINC000430673666 429708417 /nfs/dbraw/zinc/70/84/17/429708417.db2.gz FHTHNNQJNQCRIG-ROUUACIJSA-N 2 0 323.525 2.865 20 0 DFADRP O=C(C=Cc1c[nH]cn1)NCc1ccccc1C[NH+]1CCCCC1 ZINC000493197464 429710026 /nfs/dbraw/zinc/71/00/26/429710026.db2.gz LEONAHRDZQFWIV-HJWRWDBZSA-N 2 0 324.428 2.725 20 0 DFADRP C[C@@H]1C[NH+](Cc2ccc(C[NH2+]CC3(F)CC3)cc2)C[C@@H](C)O1 ZINC000526973293 429712025 /nfs/dbraw/zinc/71/20/25/429712025.db2.gz ONZRKTFGWTWLJH-HUUCEWRRSA-N 2 0 306.425 2.888 20 0 DFADRP C[NH+](C)[C@H](CNC(=O)[C@@H]1CCCCCC[C@@H]1[NH3+])c1ccsc1 ZINC000430767332 429716425 /nfs/dbraw/zinc/71/64/25/429716425.db2.gz WDLWBEHTKZQJHI-OWCLPIDISA-N 2 0 323.506 2.765 20 0 DFADRP C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)[C@H]1CCCCCC[C@@H]1[NH3+] ZINC000430889155 429721590 /nfs/dbraw/zinc/72/15/90/429721590.db2.gz LWPMBNFJPDPWQC-YVSFHVDLSA-N 2 0 309.498 2.663 20 0 DFADRP CCOc1cc(C[NH+]2CCC3(CC[NH2+]C3)CC2)ccc1OC ZINC000430930144 429725382 /nfs/dbraw/zinc/72/53/82/429725382.db2.gz ZNEGMDOBFSWGIW-UHFFFAOYSA-N 2 0 304.434 2.669 20 0 DFADRP C[C@@H]1C[N@H+](CCOc2ccc(OC(F)(F)F)cc2)CC[C@@H]1[NH3+] ZINC000430947991 429726642 /nfs/dbraw/zinc/72/66/42/429726642.db2.gz GRFWCUVEUAPMIL-RISCZKNCSA-N 2 0 318.339 2.633 20 0 DFADRP c1ccc2c(c1)C[C@H]2C[NH+]1CCC(CC[NH+]2CCOCC2)CC1 ZINC000367857524 429730531 /nfs/dbraw/zinc/73/05/31/429730531.db2.gz OJGIUBGPSRZLHI-IBGZPJMESA-N 2 0 314.473 2.761 20 0 DFADRP [NH3+]C[C@H]1CC[N@H+](Cc2c(-c3ccccc3)nc3ccccn32)C1 ZINC000430966614 429732298 /nfs/dbraw/zinc/73/22/98/429732298.db2.gz PBUVCQOITFHVGZ-OAHLLOKOSA-N 2 0 306.413 2.782 20 0 DFADRP Cc1cccc(C)c1NC(=O)[C@@H](C)[NH+]1CCC2(CC[NH2+]C2)CC1 ZINC000431022145 429736154 /nfs/dbraw/zinc/73/61/54/429736154.db2.gz FYUQPLZGOLPSHF-MRXNPFEDSA-N 2 0 315.461 2.706 20 0 DFADRP C[C@@H]1C[C@@H](c2ccccc2)C[N@@H+]1Cc1nc(C(C)(C)[NH3+])no1 ZINC000431077229 429738812 /nfs/dbraw/zinc/73/88/12/429738812.db2.gz AUIVBYXHLMDTQC-TZMCWYRMSA-N 2 0 300.406 2.641 20 0 DFADRP CCCCC[NH+]1CCN(c2ccccc2OCC[NH+](C)C)CC1 ZINC000484088208 429739909 /nfs/dbraw/zinc/73/99/09/429739909.db2.gz YCGBCUZAKFXURL-UHFFFAOYSA-N 2 0 319.493 2.939 20 0 DFADRP C[C@@H]1C[N@@H+]2CCCC[C@H]2CN1Cc1cncn1Cc1ccccc1 ZINC000527324963 429743784 /nfs/dbraw/zinc/74/37/84/429743784.db2.gz STBLZNLIDRMJQG-MJGOQNOKSA-N 2 0 324.472 2.990 20 0 DFADRP C[C@H](c1ccccc1)[C@@H](O)C[N@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000450984592 429743986 /nfs/dbraw/zinc/74/39/86/429743986.db2.gz WWXJMWSKFXTYLC-NYJIRUKSSA-N 2 0 302.462 2.708 20 0 DFADRP CCCC1CCC([N@H+](C)CC(=O)NC2CC[NH+](CC)CC2)CC1 ZINC000484887587 429744150 /nfs/dbraw/zinc/74/41/50/429744150.db2.gz NMVFJOYWPGJAFW-UHFFFAOYSA-N 2 0 323.525 2.878 20 0 DFADRP C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1CC[N@H+](C)Cc1ccccc1 ZINC000450980926 429744872 /nfs/dbraw/zinc/74/48/72/429744872.db2.gz HCRCSOWOXNMIBM-IEBWSBKVSA-N 2 0 301.478 2.677 20 0 DFADRP CC[N@@H+]1CCc2c(cccc2NC(=O)CC2CC[NH+](C)CC2)C1 ZINC000368144380 429797539 /nfs/dbraw/zinc/79/75/39/429797539.db2.gz UURDJTAQVOWADF-UHFFFAOYSA-N 2 0 315.461 2.735 20 0 DFADRP Cc1[nH+]c2c(n1[C@@H]1CCN(Cc3nccc(C)n3)C1)CCCC2 ZINC000432075908 429797936 /nfs/dbraw/zinc/79/79/36/429797936.db2.gz JWDPUHFCHCWDFV-OAHLLOKOSA-N 2 0 311.433 2.616 20 0 DFADRP CN(CCC[N@H+](C)C[C@H]1CCCCC1(F)F)CC[NH+](C)C ZINC000451041420 429753819 /nfs/dbraw/zinc/75/38/19/429753819.db2.gz NNCCLWNRMXQFNC-OAHLLOKOSA-N 2 0 305.457 2.627 20 0 DFADRP CC[NH+](CC)CCCC1CCN(C(=O)[C@H]2C[N@H+](C)C[C@H]2C)CC1 ZINC000487067487 429762920 /nfs/dbraw/zinc/76/29/20/429762920.db2.gz PFOYPCQKTUKDQI-AEFFLSMTSA-N 2 0 323.525 2.545 20 0 DFADRP Cc1nc([C@H]2CCC[N@H+](CCCc3cnccc3C)C2)no1 ZINC000368014391 429766489 /nfs/dbraw/zinc/76/64/89/429766489.db2.gz FUWYSLDJFWMNPE-INIZCTEOSA-N 2 0 300.406 2.894 20 0 DFADRP Cc1cc(C[N@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@@H]32)cc(C)c1O ZINC000368018200 429766514 /nfs/dbraw/zinc/76/65/14/429766514.db2.gz IZPSMOCEQCFEID-FGTMMUONSA-N 2 0 318.461 2.693 20 0 DFADRP c1cc2ccc(C[NH2+]C3CC[NH+](C[C@H]4CCOC4)CC3)cc2[nH]1 ZINC000527662946 429775639 /nfs/dbraw/zinc/77/56/39/429775639.db2.gz UVKRTHLKAMJHNP-MRXNPFEDSA-N 2 0 313.445 2.758 20 0 DFADRP C[C@@H]1CCC[N@H+](CCNC(=O)C[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC000431748853 429781060 /nfs/dbraw/zinc/78/10/60/429781060.db2.gz JCLJPVOXPJZHNC-AEFFLSMTSA-N 2 0 317.477 2.528 20 0 DFADRP C[C@@H]1CCCC[N@@H+]1CCNC(=O)[C@@H]1CCCC[NH+]1C1CCCC1 ZINC000431741289 429781114 /nfs/dbraw/zinc/78/11/14/429781114.db2.gz JKRNNHWOJWCUOO-AEFFLSMTSA-N 2 0 321.509 2.774 20 0 DFADRP CC1CC[NH+](CCCCNC(=O)CC[C@H]2CCCC[N@@H+]2C)CC1 ZINC000431746152 429781135 /nfs/dbraw/zinc/78/11/35/429781135.db2.gz TXUSIYNOLYKOTD-GOSISDBHSA-N 2 0 323.525 2.879 20 0 DFADRP CC1CC[NH+](CCNC(=O)C[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC000431742855 429781485 /nfs/dbraw/zinc/78/14/85/429781485.db2.gz MLDQCYJSMTWYCT-GOSISDBHSA-N 2 0 317.477 2.528 20 0 DFADRP CC[C@H]1CCCC[N@@H+]1CCNC(=O)CC[C@H]1CCCC[NH+]1C ZINC000431784575 429782117 /nfs/dbraw/zinc/78/21/17/429782117.db2.gz LZHLOWDQPIGTDA-DLBZAZTESA-N 2 0 309.498 2.632 20 0 DFADRP CC(C)N1CCCC[C@H]1C[N@@H+]1CCC[C@H](CC(C)(C)C(N)=O)C1 ZINC000451213617 429788970 /nfs/dbraw/zinc/78/89/70/429788970.db2.gz FFLLNTPSIBWWFB-SJORKVTESA-N 2 0 323.525 2.863 20 0 DFADRP FC1(F)Oc2cccc(CC[NH2+][C@H]3CC[N@@H+]4CCC[C@@H]4C3)c2O1 ZINC000527754331 429792165 /nfs/dbraw/zinc/79/21/65/429792165.db2.gz JRKVOLGVQIWTDO-UONOGXRCSA-N 2 0 324.371 2.767 20 0 DFADRP C[NH+]1CCC([C@H]2CC[N@H+](Cc3cnc(C(C)(C)C)nc3)C2)CC1 ZINC000368131581 429795514 /nfs/dbraw/zinc/79/55/14/429795514.db2.gz ATLNZIXJKKMBRL-KRWDZBQOSA-N 2 0 316.493 2.938 20 0 DFADRP CC(C)[NH+]1CCN(CCC[N@@H+]2C[C@@H]3[C@@H]4C=C[C@@H](C4)[C@]3(C)C2)CC1 ZINC000451372836 429818481 /nfs/dbraw/zinc/81/84/81/429818481.db2.gz QYQBRUPVRLOCJR-WCIQWLHISA-N 2 0 317.521 2.547 20 0 DFADRP OC1CC(CC[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC000432426227 429823978 /nfs/dbraw/zinc/82/39/78/429823978.db2.gz ZGMLOGXZYGCEEC-PFNPZRIDSA-N 2 0 314.473 2.933 20 0 DFADRP c1ccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@H]([NH2+]CC24CC(C2)CO4)C3)cc1 ZINC000527977497 429829313 /nfs/dbraw/zinc/82/93/13/429829313.db2.gz GDVFNRWWJCULFI-JHNJKDCUSA-N 2 0 312.457 2.951 20 0 DFADRP CCC[C@@H]([NH2+][C@@H]1CCN(C2CC[NH+](C)CC2)C1)c1cccnc1 ZINC000368330021 429830989 /nfs/dbraw/zinc/83/09/89/429830989.db2.gz VIOBXJIFWIRYCZ-IEBWSBKVSA-N 2 0 316.493 2.681 20 0 DFADRP c1ccc(C[N@H+]2C[C@@H]3CCC[C@H]([NH2+]CC4COC4)[C@H]3C2)cc1 ZINC000528027396 429838140 /nfs/dbraw/zinc/83/81/40/429838140.db2.gz SWKDCIZXVIDWIB-FHWLQOOXSA-N 2 0 300.446 2.523 20 0 DFADRP CC(C)(O)CC[NH2+]C1CCN(CCc2ccc(F)cc2)CC1 ZINC000368381071 429840718 /nfs/dbraw/zinc/84/07/18/429840718.db2.gz SFIWWRMFKJGFQP-UHFFFAOYSA-N 2 0 308.441 2.583 20 0 DFADRP CC(C)(O)CC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000368408217 429844796 /nfs/dbraw/zinc/84/47/96/429844796.db2.gz BAHKCQQHQKVIOU-AYHJJNSGSA-N 2 0 302.462 2.933 20 0 DFADRP Cc1cc(NCCC[N@@H+]2CCCO[C@@H](C)C2)c2ccccc2[nH+]1 ZINC000432866520 429845816 /nfs/dbraw/zinc/84/58/16/429845816.db2.gz LVDGJTHCCDEUST-INIZCTEOSA-N 2 0 313.445 2.878 20 0 DFADRP C(CC1CC[NH+](CCC2CCOCC2)CC1)C[NH+]1CCOCC1 ZINC000432875603 429848307 /nfs/dbraw/zinc/84/83/07/429848307.db2.gz XLONPHDTCPYUFX-UHFFFAOYSA-N 2 0 324.509 2.628 20 0 DFADRP Cc1nccn1CCCC[N@@H+](C)CCN(C)C(=O)OC(C)(C)C ZINC000494102675 429856000 /nfs/dbraw/zinc/85/60/00/429856000.db2.gz XHUIBEGEYWBARG-UHFFFAOYSA-N 2 0 324.469 2.770 20 0 DFADRP CCCC[N@H+](C)CC1CCN(CN2CC(C)(C)OC2=O)CC1 ZINC000494107982 429856485 /nfs/dbraw/zinc/85/64/85/429856485.db2.gz RHGBSXGQOSSOBA-UHFFFAOYSA-N 2 0 311.470 2.619 20 0 DFADRP Cc1cccc(CC[C@H](C)[NH2+]C[C@@H]2CN3CCC[C@H]3CO2)c1 ZINC000368539241 429864699 /nfs/dbraw/zinc/86/46/99/429864699.db2.gz SBGZGTQGKVTFIZ-YTQUADARSA-N 2 0 302.462 2.769 20 0 DFADRP CC(C)n1cc(CNC[C@@H]2CC[N@H+](C)[C@@H]2c2ccccc2)nn1 ZINC000368559253 429866437 /nfs/dbraw/zinc/86/64/37/429866437.db2.gz ZOANBQUNTCWTAX-FUHWJXTLSA-N 2 0 313.449 2.642 20 0 DFADRP C[C@H]([NH2+]Cc1ccccc1C[N@@H+]1CCC[C@H]1CO)[C@@H]1CC12CC2 ZINC000527887772 429814921 /nfs/dbraw/zinc/81/49/21/429814921.db2.gz OYSQSPJLOVARCV-SNRMKQJTSA-N 2 0 314.473 2.922 20 0 DFADRP c1ccc2c(c1)CC[C@@H]([NH2+]CC1CC[NH+](C3CC3)CC1)CO2 ZINC000494530866 429879004 /nfs/dbraw/zinc/87/90/04/429879004.db2.gz YJMHVUCCUOZJFM-QGZVFWFLSA-N 2 0 300.446 2.844 20 0 DFADRP CO[C@H](CN1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1)c1ccc(F)cc1 ZINC000528408372 429886077 /nfs/dbraw/zinc/88/60/77/429886077.db2.gz UQACDEIELRBHCE-CGTJXYLNSA-N 2 0 306.425 2.929 20 0 DFADRP CO[C@@H](CN1CC[C@]2(C1)CCC[N@H+](C)C2)c1ccc(F)cc1 ZINC000528511720 429895044 /nfs/dbraw/zinc/89/50/44/429895044.db2.gz HCZNKUYZSHENIG-ZWKOTPCHSA-N 2 0 306.425 2.931 20 0 DFADRP CC[C@H](c1ccccc1F)[N@@H+]1CC[C@H](N2CC[NH+](CC)CC2)C1 ZINC000368799235 429895478 /nfs/dbraw/zinc/89/54/78/429895478.db2.gz VNWCXDPZJNNSKA-QFBILLFUSA-N 2 0 319.468 2.989 20 0 DFADRP CO[C@@H](Cc1ccc(F)cc1)C[N@@H+]1CCC[C@@]2(CC[NH+](C)C2)C1 ZINC000528520350 429896074 /nfs/dbraw/zinc/89/60/74/429896074.db2.gz WXSFXNVSMSXAMP-OALUTQOASA-N 2 0 320.452 2.801 20 0 DFADRP FC(F)(F)[C@@H]1C[C@H]([NH2+]C2CC([NH+]3CCCCC3)C2)CCO1 ZINC000368574136 429869965 /nfs/dbraw/zinc/86/99/65/429869965.db2.gz JJDVGGNKVKELHP-RYSNWHEDSA-N 2 0 306.372 2.703 20 0 DFADRP COc1ccc(CC[NH2+][C@@H]2CCC[C@@H]([NH3+])C2)cc1OC(F)F ZINC000573458927 429955254 /nfs/dbraw/zinc/95/52/54/429955254.db2.gz KOYXYZACOYSQSX-CHWSQXEVSA-N 2 0 314.376 2.699 20 0 DFADRP CC(C)Oc1ccnc(C[N@@H+]2CCC3(C2)CC[NH+](C)CC3)c1 ZINC000639756507 429970525 /nfs/dbraw/zinc/97/05/25/429970525.db2.gz WGGAOIQDUPAGRD-UHFFFAOYSA-N 2 0 303.450 2.787 20 0 DFADRP C[C@@H]([NH2+][C@@H]1CC[NH2+][C@H](C)C1)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000573831630 429985776 /nfs/dbraw/zinc/98/57/76/429985776.db2.gz DMYCZIHPOSMDPT-YRGRVCCFSA-N 2 0 301.434 2.707 20 0 DFADRP c1ccc2c(c1)CCN2CC[N@@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC000639682862 429943723 /nfs/dbraw/zinc/94/37/23/429943723.db2.gz BPABCFDAMMLSHM-UHFFFAOYSA-N 2 0 322.456 2.656 20 0 DFADRP c1cnn(CCCCC[N@@H+]2CCCN(c3cc[nH+]cc3)CC2)c1 ZINC000639682995 429944076 /nfs/dbraw/zinc/94/40/76/429944076.db2.gz PHZDDPFDTFEPDN-UHFFFAOYSA-N 2 0 313.449 2.661 20 0 DFADRP CCCN(CC[NH+]1CCCC1)C(=O)CC[N@H+](C)C1CCCCC1 ZINC000557578739 429944865 /nfs/dbraw/zinc/94/48/65/429944865.db2.gz NDHMALOUEBYMQW-UHFFFAOYSA-N 2 0 323.525 2.975 20 0 DFADRP Cc1ccc(C[NH+]2CC[C@H](C[N@H+](C)CCn3cccn3)C2)s1 ZINC000574320019 430032049 /nfs/dbraw/zinc/03/20/49/430032049.db2.gz HVYCYWJNXXGJEY-MRXNPFEDSA-N 2 0 318.490 2.707 20 0 DFADRP CCC[N@@H+]1CC[C@H](C[NH2+]CCC(=O)Nc2cccc(F)c2C)C1 ZINC000574032836 430004132 /nfs/dbraw/zinc/00/41/32/430004132.db2.gz YHPXPXVIRFSMGO-OAHLLOKOSA-N 2 0 321.440 2.784 20 0 DFADRP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@@H+]2Cc1ccc2cc[nH]c2c1 ZINC000529537129 430024338 /nfs/dbraw/zinc/02/43/38/430024338.db2.gz PMZVVCKUMTVQKS-NEWSRXKRSA-N 2 0 313.445 2.851 20 0 DFADRP C[N@@H+](Cc1ccccc1)C[C@@H](O)CNCc1cccc(F)c1F ZINC000634727937 430091374 /nfs/dbraw/zinc/09/13/74/430091374.db2.gz JWMXWWQLPLDOOC-INIZCTEOSA-N 2 0 320.383 2.547 20 0 DFADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1N[C@H]1CC[NH2+]CC(C)(C)C1 ZINC000634732855 430093635 /nfs/dbraw/zinc/09/36/35/430093635.db2.gz QIEKQEYSSMIARJ-NZSAHSFTSA-N 2 0 315.505 2.875 20 0 DFADRP COc1cccc2c1CC[C@@H]([NH2+]C[C@H]1CC[N@@H+](C(C)C)C1)C2 ZINC000561976897 430103480 /nfs/dbraw/zinc/10/34/80/430103480.db2.gz VVDHWBYHCRHFFB-NVXWUHKLSA-N 2 0 302.462 2.872 20 0 DFADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1N[C@@H]1CC[NH2+]C12CCC2 ZINC000530221387 430105080 /nfs/dbraw/zinc/10/50/80/430105080.db2.gz PYFLITYSXUTGNR-NZSAHSFTSA-N 2 0 313.489 2.771 20 0 DFADRP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCC[N@@H+]2Cc2ncccc2Cl)C1 ZINC000530221543 430106360 /nfs/dbraw/zinc/10/63/60/430106360.db2.gz GFEGWVNPIPSIOX-UHOFOFEASA-N 2 0 309.841 2.596 20 0 DFADRP CC[C@@H]1C[N@H+](C[C@@H](O)CN(C)C2CC2)CC[C@H]1c1ccccc1 ZINC000562035737 430107470 /nfs/dbraw/zinc/10/74/70/430107470.db2.gz OHGMCASJIRUCRA-LSTHTHJFSA-N 2 0 316.489 2.957 20 0 DFADRP C(CC[NH+]1CCC(CO[C@H]2CC[NH2+]C2)CC1)CC1CCOCC1 ZINC000530240024 430108114 /nfs/dbraw/zinc/10/81/14/430108114.db2.gz JVHYAIALMVOUED-IBGZPJMESA-N 2 0 324.509 2.674 20 0 DFADRP CO[C@@H]1C[C@H]([NH2+]Cc2cn(-c3cc[nH+]cc3)nc2C)C12CCC2 ZINC000560596944 430057618 /nfs/dbraw/zinc/05/76/18/430057618.db2.gz BEOVEKVSXNMXAT-DLBZAZTESA-N 2 0 312.417 2.623 20 0 DFADRP CC(C)[N@@H+]1CC[C@@H](C[NH2+]Cc2cn(C)nc2-c2ccccc2)C1 ZINC000560846176 430069356 /nfs/dbraw/zinc/06/93/56/430069356.db2.gz DJACLQXRVRHPEI-INIZCTEOSA-N 2 0 312.461 2.907 20 0 DFADRP CC(C)[N@@H+]1CC[C@H](C[NH2+]Cc2cn(C)nc2-c2ccccc2)C1 ZINC000560846178 430070538 /nfs/dbraw/zinc/07/05/38/430070538.db2.gz DJACLQXRVRHPEI-MRXNPFEDSA-N 2 0 312.461 2.907 20 0 DFADRP [NH3+][C@H]1CCCCC[C@H]1[NH2+]CC1(CO)CC(c2ccccc2)C1 ZINC000580946272 430164549 /nfs/dbraw/zinc/16/45/49/430164549.db2.gz TYULXPHKKVCOFR-CXUOOODFSA-N 2 0 302.462 2.792 20 0 DFADRP C[NH2+]Cc1ccccc1NC(=O)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000637807241 430135775 /nfs/dbraw/zinc/13/57/75/430135775.db2.gz FEQKKBMJTGDVDE-GOSISDBHSA-N 2 0 323.440 2.867 20 0 DFADRP C[C@@H]1C[C@@H]([NH2+]Cc2ccccc2OCC[NH+](C)C)C[C@H](C)O1 ZINC000562519574 430141557 /nfs/dbraw/zinc/14/15/57/430141557.db2.gz NWVMMQJPGNPZFO-SCAQPMJSSA-N 2 0 306.450 2.673 20 0 DFADRP C[N@H+](CCO)C[C@@]1(C(C)(C)C)CC[NH+](Cc2ccccc2)C1 ZINC000637832340 430142330 /nfs/dbraw/zinc/14/23/30/430142330.db2.gz HBAYGAPWFXXBLU-IBGZPJMESA-N 2 0 304.478 2.849 20 0 DFADRP Cc1ncc(CNCc2cc(Br)ccc2F)n1C ZINC000580726480 430149356 /nfs/dbraw/zinc/14/93/56/430149356.db2.gz UURIRJCOXJMDFX-UHFFFAOYSA-N 2 0 312.186 2.920 20 0 DFADRP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)[C@@H](C)Cc2ccsc2)CC1 ZINC000541225184 430186449 /nfs/dbraw/zinc/18/64/49/430186449.db2.gz GSRZHJMDZCCAQL-LSDHHAIUSA-N 2 0 310.507 2.704 20 0 DFADRP C[C@@H]1C[C@H](C[NH2+][C@H](CO)c2cccc(C(F)(F)F)c2)CC[NH2+]1 ZINC000634997058 430186899 /nfs/dbraw/zinc/18/68/99/430186899.db2.gz BTWYSAUNDHHLDE-LALPHHSUSA-N 2 0 316.367 2.717 20 0 DFADRP C[C@@H]1C[C@@H](C[NH2+][C@@H](CCO)c2ccc(Cl)c(F)c2)CC[NH2+]1 ZINC000634997984 430188704 /nfs/dbraw/zinc/18/87/04/430188704.db2.gz XVKFFJQKQSZUMG-WQGACYEGSA-N 2 0 314.832 2.880 20 0 DFADRP C[NH+]1CCN(CCC[NH2+][C@@H]2C[C@@H](c3ccccc3)C2(C)C)CC1 ZINC000122808244 277105502 /nfs/dbraw/zinc/10/55/02/277105502.db2.gz HYXSKOZYVLTGJB-RBUKOAKNSA-N 2 0 315.505 2.796 20 0 DFADRP c1cc(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)c2c(c1)C[NH2+]CC2 ZINC000635003798 430192382 /nfs/dbraw/zinc/19/23/82/430192382.db2.gz LRZGFUXLBBLMJK-SLFFLAALSA-N 3 0 313.489 2.733 20 0 DFADRP Cc1ccc2c(c1)[C@@H](Nc1cc(N3CC[NH2+]CC3)cc[nH+]1)CC2 ZINC000635007724 430193241 /nfs/dbraw/zinc/19/32/41/430193241.db2.gz GNQJSJBLEFOWTC-SFHVURJKSA-N 2 0 308.429 2.899 20 0 DFADRP Cc1nc(C)c([C@H](C)Nc2cc(N3CC[NH2+]CC3)cc[nH+]2)s1 ZINC000635007241 430193381 /nfs/dbraw/zinc/19/33/81/430193381.db2.gz FIXRGNVHFZPEKC-LBPRGKRZSA-N 2 0 317.462 2.738 20 0 DFADRP CC(C)n1ccc(C[C@H](C)[NH2+]CC[C@@H]([NH3+])Cc2ccccc2)n1 ZINC000635008155 430193488 /nfs/dbraw/zinc/19/34/88/430193488.db2.gz QVRGJGXOIZCUAJ-FUHWJXTLSA-N 2 0 314.477 2.945 20 0 DFADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C[NH2+]C1CCC([NH3+])CC1 ZINC000635005177 430193602 /nfs/dbraw/zinc/19/36/02/430193602.db2.gz SANNPNCOGWCJQY-BJMVHTGZSA-N 3 0 301.478 2.614 20 0 DFADRP COCC[C@H](Cc1cccc(F)c1)[NH2+][C@H]1CC[C@H](C[NH3+])CC1 ZINC000635004346 430194045 /nfs/dbraw/zinc/19/40/45/430194045.db2.gz CXZDYCYWOATQMW-ZTFGCOKTSA-N 2 0 308.441 2.880 20 0 DFADRP C[N@@H+]1CC[C@H]([NH2+]Cc2ccc3c(c2)OCCCO3)[C@@H]2CCC[C@H]21 ZINC000375808462 277172315 /nfs/dbraw/zinc/17/23/15/277172315.db2.gz RVPOXBPLWWENDI-YESZJQIVSA-N 2 0 316.445 2.810 20 0 DFADRP C[C@H]([NH2+][C@H]1CC[NH2+]CC(C)(C)C1)c1ccc2c(c1)OCCO2 ZINC000635010172 430195509 /nfs/dbraw/zinc/19/55/09/430195509.db2.gz JBFUMIFJYNFJBS-ZFWWWQNUSA-N 2 0 304.434 2.887 20 0 DFADRP CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000231720471 277201891 /nfs/dbraw/zinc/20/18/91/277201891.db2.gz AMTPKTXKWARXFK-LVQVYYBASA-N 2 0 323.481 2.649 20 0 DFADRP c1ccc2c(c1)OCCC[C@@H]2Nc1cc(N2CC[NH2+]CC2)cc[nH+]1 ZINC000635010538 430195641 /nfs/dbraw/zinc/19/56/41/430195641.db2.gz SXZWABAWBJHWRX-KRWDZBQOSA-N 2 0 324.428 2.817 20 0 DFADRP Fc1ccc2c(c1)CC[C@H]2Nc1cc(N2CC[NH2+]CC2)cc[nH+]1 ZINC000635011071 430195958 /nfs/dbraw/zinc/19/59/58/430195958.db2.gz XFUHJBPIVNRGPG-QGZVFWFLSA-N 2 0 312.392 2.730 20 0 DFADRP C[C@H](c1ccccc1)N1CC[C@@H]([NH2+][C@H]2CC[C@H](C[NH3+])CC2)C1 ZINC000635008852 430196242 /nfs/dbraw/zinc/19/62/42/430196242.db2.gz VVDSZFWQLPCIQK-PSBWJHGTSA-N 2 0 301.478 2.929 20 0 DFADRP c1cc2n(n1)CCC[C@@H]2[NH2+][C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000635012501 430196535 /nfs/dbraw/zinc/19/65/35/430196535.db2.gz MULDYFMPUCLRFD-FRQCXROJSA-N 2 0 324.428 2.564 20 0 DFADRP COc1cccc(NC(=O)C[C@@H](C)[NH2+][C@H]2CC[C@H](C[NH3+])CC2)c1 ZINC000635008319 430196748 /nfs/dbraw/zinc/19/67/48/430196748.db2.gz SQQUMWHMKWGWQW-RBSFLKMASA-N 2 0 319.449 2.519 20 0 DFADRP C[C@H]([NH2+]C[C@@H]1CCO[C@H]1c1ccc(F)cc1)[C@H]1CCC[NH2+]C1 ZINC000635013780 430198317 /nfs/dbraw/zinc/19/83/17/430198317.db2.gz VRRNARPRVMLPGG-MBGYTDRXSA-N 2 0 306.425 2.881 20 0 DFADRP CC(C)[C@H]1CC[N@H+](CC2(C[NH+]3CC[C@@H](C(C)C)C3)COC2)C1 ZINC000541999892 430199290 /nfs/dbraw/zinc/19/92/90/430199290.db2.gz FKDNIAAENGDQLD-HDICACEKSA-N 2 0 308.510 2.959 20 0 DFADRP CC(C)C(=O)N1CCC([NH2+][C@H](C)C[C@@H]2CCCCC[NH2+]2)CC1 ZINC000262299399 277328469 /nfs/dbraw/zinc/32/84/69/277328469.db2.gz OICCCLVAQOYVPE-WBVHZDCISA-N 2 0 309.498 2.534 20 0 DFADRP CCn1ccnc1CN1CCC[N@H+](CC2(C(C)C)CC2)CC1 ZINC000638047116 430218412 /nfs/dbraw/zinc/21/84/12/430218412.db2.gz YQPDQCNOLGLNQQ-UHFFFAOYSA-N 2 0 304.482 2.847 20 0 DFADRP CC(C)CC[C@H]([NH3+])C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000638046038 430219436 /nfs/dbraw/zinc/21/94/36/430219436.db2.gz ACARIJBGKVTWCU-SFHVURJKSA-N 2 0 317.477 2.531 20 0 DFADRP CC(C)CC[C@@H]([NH3+])C(=O)NCc1ccccc1C[N@H+](C)C(C)C ZINC000638062827 430223276 /nfs/dbraw/zinc/22/32/76/430223276.db2.gz IOMCGKDXOYOMST-GOSISDBHSA-N 2 0 319.493 2.907 20 0 DFADRP CC[NH2+][C@@H](C)C(=O)NCc1ccccc1C[N@@H+]1CCC[C@H](C)C1 ZINC000638063370 430223975 /nfs/dbraw/zinc/22/39/75/430223975.db2.gz MFEUPTFGUXLJOJ-HOTGVXAUSA-N 2 0 317.477 2.533 20 0 DFADRP C[N@@H+](Cc1ccc(=O)[nH]c1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000638066187 430224042 /nfs/dbraw/zinc/22/40/42/430224042.db2.gz FECRTSIOBNASJZ-SFHVURJKSA-N 2 0 311.429 2.741 20 0 DFADRP CC(C)CC[C@@H]([NH3+])C(=O)NC[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000638050154 430218182 /nfs/dbraw/zinc/21/81/82/430218182.db2.gz LOHHUSRBGORWMZ-MSOLQXFVSA-N 2 0 317.477 2.703 20 0 DFADRP Cc1ccc(NC(=O)[C@@H]([NH3+])CCC(C)C)c(OCC[NH+](C)C)c1 ZINC000638119609 430242424 /nfs/dbraw/zinc/24/24/24/430242424.db2.gz VBUHUZSFTUJTRN-HNNXBMFYSA-N 2 0 321.465 2.637 20 0 DFADRP C[N@@H+]1CCCC[C@H]1CCC(=O)N(CCC[NH3+])Cc1ccccc1 ZINC000566205856 430248038 /nfs/dbraw/zinc/24/80/38/430248038.db2.gz FCVBYFPJHPISKL-SFHVURJKSA-N 2 0 317.477 2.629 20 0 DFADRP C[C@H]1CCCC[N@@H+]1CCCCNC(=O)[C@@H]1CC[NH+]1C1CCCC1 ZINC000635323718 430254197 /nfs/dbraw/zinc/25/41/97/430254197.db2.gz AVQBCCSJEIJFOC-WMZOPIPTSA-N 2 0 321.509 2.774 20 0 DFADRP CC1CC[NH+](CCCCNC(=O)C[N@H+](C)CC(C)(C)C)CC1 ZINC000635341543 430257189 /nfs/dbraw/zinc/25/71/89/430257189.db2.gz NXEIBCRCVUYOIB-UHFFFAOYSA-N 2 0 311.514 2.593 20 0 DFADRP [NH3+][C@H]1CCC[C@@H]([NH2+]CCc2cc(Cl)c3c(c2)OCCO3)C1 ZINC000567179971 430280248 /nfs/dbraw/zinc/28/02/48/430280248.db2.gz ZWHLHWXWPUMAFV-QWHCGFSZSA-N 2 0 310.825 2.513 20 0 DFADRP C[C@H]1C[N@H+](C)CC[C@H]1N(C)Cc1cnc(-c2ccccn2)s1 ZINC000582268871 430283748 /nfs/dbraw/zinc/28/37/48/430283748.db2.gz GXCNTZVIHADVNJ-XJKSGUPXSA-N 2 0 316.474 2.977 20 0 DFADRP CCCC[N@H+](C)CC1CCN(C(=O)[C@H]([NH3+])CCC(C)C)CC1 ZINC000638066399 430226312 /nfs/dbraw/zinc/22/63/12/430226312.db2.gz ICGGBDHWBVKRED-QGZVFWFLSA-N 2 0 311.514 2.720 20 0 DFADRP CC[NH+](CC)[C@@H](CNC(=O)C[C@H]1CC[N@H+](C)C1)c1ccccc1 ZINC000635189064 430226449 /nfs/dbraw/zinc/22/64/49/430226449.db2.gz OKWIOHUXLCJWNF-AEFFLSMTSA-N 2 0 317.477 2.528 20 0 DFADRP CC[NH+](CC)[C@H](CNC(=O)C[C@H]1CC[N@H+](C)C1)c1ccccc1 ZINC000635189066 430226755 /nfs/dbraw/zinc/22/67/55/430226755.db2.gz OKWIOHUXLCJWNF-SJLPKXTDSA-N 2 0 317.477 2.528 20 0 DFADRP C[N@@H+]1CCCC[C@@H]1CCC(=O)NCC[NH2+]C1CCCCCC1 ZINC000565774232 430226822 /nfs/dbraw/zinc/22/68/22/430226822.db2.gz YSOJCMIUCYXLCR-QGZVFWFLSA-N 2 0 309.498 2.680 20 0 DFADRP COc1cc(C)c(C[C@@H](C)[NH2+]C[C@@H]2CCC[N@H+](C)C2)cc1OC ZINC000581654650 430229097 /nfs/dbraw/zinc/22/90/97/430229097.db2.gz IRHQMWNAYNYQGL-CVEARBPZSA-N 2 0 320.477 2.875 20 0 DFADRP CC[NH2+][C@@H](C)C(=O)NCc1cccc(C[NH+]2CCCCCC2)c1 ZINC000638086788 430231206 /nfs/dbraw/zinc/23/12/06/430231206.db2.gz WVNQMLMXYRLVCR-INIZCTEOSA-N 2 0 317.477 2.677 20 0 DFADRP Cn1ccnc1[C@@H](C1CC1)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000638104837 430237068 /nfs/dbraw/zinc/23/70/68/430237068.db2.gz NLSDNBXURPYOEH-IAGOWNOFSA-N 2 0 302.466 2.822 20 0 DFADRP CCC[N@H+](CC)C[C@H](C)NC(=O)c1ccc(CC[NH+](C)C)cc1 ZINC000581735544 430237970 /nfs/dbraw/zinc/23/79/70/430237970.db2.gz UHRDZNUATNGCQQ-INIZCTEOSA-N 2 0 319.493 2.641 20 0 DFADRP CSC[C@H](O)C[NH2+]Cc1ccccc1C[NH+]1CCCCCC1 ZINC000566118719 430240355 /nfs/dbraw/zinc/24/03/55/430240355.db2.gz YOTTUBFJFPEMMW-GOSISDBHSA-N 2 0 322.518 2.876 20 0 DFADRP C[NH+]1CCN(C[C@@H]([NH2+]C[C@@H]2C[C@H]3C[C@H]3C2)c2ccccc2)CC1 ZINC000638273846 430292689 /nfs/dbraw/zinc/29/26/89/430292689.db2.gz LLMLPBUDZMSVBW-GSEOLPGOSA-N 2 0 313.489 2.611 20 0 DFADRP C[C@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC000635564034 430307531 /nfs/dbraw/zinc/30/75/31/430307531.db2.gz ATDLAGVCEZRAIT-KSZLIROESA-N 2 0 321.509 2.584 20 0 DFADRP COc1cc(F)c(C[NH2+]CC[C@H]2CCC[N@H+](C)C2)cc1OC ZINC000568034140 430309338 /nfs/dbraw/zinc/30/93/38/430309338.db2.gz JTBCFZOAZIYJMY-CYBMUJFWSA-N 2 0 310.413 2.664 20 0 DFADRP CC(C)[N@@H+]1CCCC[C@H]1Cn1cc(CC[NH+]2CCCCC2)nn1 ZINC000641170098 430350634 /nfs/dbraw/zinc/35/06/34/430350634.db2.gz VSCBSPJSCVNIGK-SFHVURJKSA-N 2 0 319.497 2.569 20 0 DFADRP CC(C)(C[NH2+]CCCC[NH+]1CCOCC1)Oc1ccccc1 ZINC000638369423 430318080 /nfs/dbraw/zinc/31/80/80/430318080.db2.gz ABNUWICGNXTMHC-UHFFFAOYSA-N 2 0 306.450 2.546 20 0 DFADRP CC(C)(C)O[C@@H]1C[C@H]([NH2+]CCCC[NH+]2CCOCC2)C12CCC2 ZINC000638369501 430318110 /nfs/dbraw/zinc/31/81/10/430318110.db2.gz BZGSQHCZOPPGBE-DLBZAZTESA-N 2 0 324.509 2.815 20 0 DFADRP CCOC1CC(C[NH2+]Cc2ccc(OCC[NH+](C)C)cc2)C1 ZINC000638379935 430323958 /nfs/dbraw/zinc/32/39/58/430323958.db2.gz RLIPTVHFFZJVHA-UHFFFAOYSA-N 2 0 306.450 2.532 20 0 DFADRP C[NH+](C)[C@@H]1CCc2cc(NC(=O)C[N@@H+]3CCC(C)(C)C3)ccc21 ZINC000568230280 430337458 /nfs/dbraw/zinc/33/74/58/430337458.db2.gz VQUQRPVSWJSAGQ-QGZVFWFLSA-N 2 0 315.461 2.906 20 0 DFADRP CO[C@@H](C[NH2+]C1CC[NH+](C2CCC2)CC1)Cc1ccccc1 ZINC000638427657 430340013 /nfs/dbraw/zinc/34/00/13/430340013.db2.gz WYLINCYLDPADKJ-LJQANCHMSA-N 2 0 302.462 2.851 20 0 DFADRP C[N@H+](CCC(=O)N1CC[C@@H](C[NH+]2CCCC2)C1)C1CCCCC1 ZINC000547732624 430416778 /nfs/dbraw/zinc/41/67/78/430416778.db2.gz LHSAKGPTLDTHMJ-KRWDZBQOSA-N 2 0 321.509 2.585 20 0 DFADRP Cc1ccccc1C1(C[NH2+]C2CC[NH+](CC(C)(C)O)CC2)CC1 ZINC000638486329 430354816 /nfs/dbraw/zinc/35/48/16/430354816.db2.gz HHZKLQUCESKNDW-UHFFFAOYSA-N 2 0 316.489 2.852 20 0 DFADRP Cc1nccn1CCCN(C)C(=O)[C@@H](CC(C)C)n1ccnc1 ZINC000635719555 430357722 /nfs/dbraw/zinc/35/77/22/430357722.db2.gz WFNUERSECJIVCJ-MRXNPFEDSA-N 2 0 317.437 2.524 20 0 DFADRP CCOc1ccc(CC[NH2+][C@H]2CCC[C@H]([NH3+])C2)cc1OCC ZINC000568415142 430358434 /nfs/dbraw/zinc/35/84/34/430358434.db2.gz IOECGFFQRFWPOA-HOTGVXAUSA-N 2 0 306.450 2.886 20 0 DFADRP Cc1ccc(NC(=O)[C@H]2C[NH2+]Cc3ccccc32)c(C[NH+](C)C)c1 ZINC000568507449 430364083 /nfs/dbraw/zinc/36/40/83/430364083.db2.gz YUUXFSHJTBSQGQ-SFHVURJKSA-N 2 0 323.440 2.882 20 0 DFADRP Cc1ccc(NC(=O)[C@@H]2C[NH2+]Cc3ccccc32)c(C[NH+](C)C)c1 ZINC000568507448 430365064 /nfs/dbraw/zinc/36/50/64/430365064.db2.gz YUUXFSHJTBSQGQ-GOSISDBHSA-N 2 0 323.440 2.882 20 0 DFADRP C[C@H]1C[C@H]([NH2+]CCc2ccc(OCC[NH+](C)C)cc2)CS1 ZINC000638539287 430372427 /nfs/dbraw/zinc/37/24/27/430372427.db2.gz MLLQYGJJNPPRDR-HOCLYGCPSA-N 2 0 308.491 2.653 20 0 DFADRP [NH3+]Cc1cccc2c1N(C(=O)C[C@H]([NH3+])c1ccccc1)CCC2 ZINC000638544229 430373444 /nfs/dbraw/zinc/37/34/44/430373444.db2.gz KIAACIPUVFMYJU-KRWDZBQOSA-N 2 0 309.413 2.515 20 0 DFADRP CC1=C(C)C[C@H]([C@H](C)[NH2+]C[C@H](C)CN2CC[NH+](C)CC2)CC1 ZINC000638555903 430375467 /nfs/dbraw/zinc/37/54/67/430375467.db2.gz ZROBTVUWRQMRBK-ZYSHUDEJSA-N 2 0 307.526 2.985 20 0 DFADRP C[C@H](NC[C@H](c1cccs1)[NH+]1CCCC1)[C@H]1CCC[NH2+]C1 ZINC000568618663 430376269 /nfs/dbraw/zinc/37/62/69/430376269.db2.gz OKXBVZGTCJJOBA-HRCADAONSA-N 2 0 307.507 2.863 20 0 DFADRP CC[NH+]1CCC(C[NH2+]Cc2cc(OC)c(O)cc2Cl)CC1 ZINC000638562725 430376322 /nfs/dbraw/zinc/37/63/22/430376322.db2.gz BEQZBZVRHGAWCS-UHFFFAOYSA-N 2 0 312.841 2.876 20 0 DFADRP CSc1ccc([C@H](C[NH2+][C@H](C)[C@@H]2CCC[NH2+]C2)N(C)C)cc1 ZINC000583257279 430377224 /nfs/dbraw/zinc/37/72/24/430377224.db2.gz XBOCADYFXPHYIV-KYJSFNMBSA-N 2 0 321.534 2.989 20 0 DFADRP CSc1ccc([C@H](C[NH2+][C@@H](C)[C@@H]2CCC[NH2+]C2)N(C)C)cc1 ZINC000583257280 430377642 /nfs/dbraw/zinc/37/76/42/430377642.db2.gz XBOCADYFXPHYIV-LESCRADOSA-N 2 0 321.534 2.989 20 0 DFADRP CC[NH+]1CCC(C[NH2+]Cc2ccccc2OCCCCO)CC1 ZINC000638565925 430378168 /nfs/dbraw/zinc/37/81/68/430378168.db2.gz WDDHZIBUFDXCOS-UHFFFAOYSA-N 2 0 320.477 2.659 20 0 DFADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+][C@@H]1CCO[C@@H](c2ccnn2C)C1 ZINC000583257117 430378402 /nfs/dbraw/zinc/37/84/02/430378402.db2.gz HBNDEKZUQUTRNM-KYHPRHEASA-N 2 0 320.481 2.541 20 0 DFADRP [NH3+][C@@H]1CCC[C@H]([NH2+]C2CCN(Cc3ccc(F)c(F)c3)CC2)C1 ZINC000568646314 430379504 /nfs/dbraw/zinc/37/95/04/430379504.db2.gz DXOUFHNLGGWEPB-ZBFHGGJFSA-N 2 0 323.431 2.789 20 0 DFADRP CC(C)(O)C[NH+]1CCC([NH2+]C2CC(c3ccccc3)C2)CC1 ZINC000638582311 430380781 /nfs/dbraw/zinc/38/07/81/430380781.db2.gz USXDVEHBPUNMGF-UHFFFAOYSA-N 2 0 302.462 2.758 20 0 DFADRP C[C@@H]1C[C@H]([NH2+]CCC(=O)Nc2cccc(Cl)c2)CC[N@@H+]1C ZINC000568740310 430385939 /nfs/dbraw/zinc/38/59/39/430385939.db2.gz FEMUPDZMUJCOCP-TZMCWYRMSA-N 2 0 309.841 2.741 20 0 DFADRP CC[N@H+](C)Cc1cccc(C[NH2+]C[C@@H](O)CC(F)(F)F)c1 ZINC000568741372 430387876 /nfs/dbraw/zinc/38/78/76/430387876.db2.gz SKPJSEVQZUFYCC-AWEZNQCLSA-N 2 0 304.356 2.541 20 0 DFADRP C[C@@H](C[NH2+]Cc1c[nH]c2ncncc12)N(C)Cc1ccccc1 ZINC000638618863 430390201 /nfs/dbraw/zinc/39/02/01/430390201.db2.gz PAEQETPOMXOOMM-AWEZNQCLSA-N 2 0 309.417 2.520 20 0 DFADRP C[C@H]1C[C@H](N(C)C(=O)CC[NH+](C)C2CCCCC2)CC[N@@H+]1C ZINC000548060381 430442046 /nfs/dbraw/zinc/44/20/46/430442046.db2.gz WGHYGWIDVNSQDB-DOTOQJQBSA-N 2 0 309.498 2.582 20 0 DFADRP C[N@H+](CCC(=O)NC[C@@H]1CCCC[NH+]1C1CC1)C1CCCCC1 ZINC000548065381 430443108 /nfs/dbraw/zinc/44/31/08/430443108.db2.gz HTDXLSHRILLFNX-SFHVURJKSA-N 2 0 321.509 2.774 20 0 DFADRP C[N@H+](CCC(=O)N1CC[C@H]([NH+]2CCCCC2)C1)C1CCCCC1 ZINC000548060844 430444221 /nfs/dbraw/zinc/44/42/21/430444221.db2.gz SVDSXHCJKHXDNN-SFHVURJKSA-N 2 0 321.509 2.728 20 0 DFADRP CC(C)[N@@H+]1CCC[C@@H](NC(=O)CC[NH+](C)C2CCCCC2)C1 ZINC000548064642 430444301 /nfs/dbraw/zinc/44/43/01/430444301.db2.gz RJLBKQMMOPVMBG-MRXNPFEDSA-N 2 0 309.498 2.630 20 0 DFADRP C[NH+](C)CC1CCC(NC(=O)CC[N@H+](C)C2CCCCC2)CC1 ZINC000548064783 430444448 /nfs/dbraw/zinc/44/44/48/430444448.db2.gz ATKILAIHWZOOQT-UHFFFAOYSA-N 2 0 323.525 2.878 20 0 DFADRP Nc1cnccc1C[NH2+]Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000641706229 430446654 /nfs/dbraw/zinc/44/66/54/430446654.db2.gz CAFXHTKVXTUDBW-UHFFFAOYSA-N 2 0 310.445 2.940 20 0 DFADRP CCO[C@@H]1C[C@H]([NH2+]Cc2cccc(C[NH+](C)C)c2)[C@]12CCCO2 ZINC000638851751 430454802 /nfs/dbraw/zinc/45/48/02/430454802.db2.gz RPKYGWHCNKFRSA-IPMKNSEASA-N 2 0 318.461 2.564 20 0 DFADRP CN(C(=O)CC[C@@H]([NH3+])CC1CCCCC1)[C@H]1C[NH+]2CCC1CC2 ZINC000638853439 430456393 /nfs/dbraw/zinc/45/63/93/430456393.db2.gz GSPJSOAENQANCW-MSOLQXFVSA-N 2 0 321.509 2.617 20 0 DFADRP Cc1cc(N2CCC([C@@H]3CCC[NH2+]3)CC2)nc(-c2ccncc2)n1 ZINC000569461908 430457432 /nfs/dbraw/zinc/45/74/32/430457432.db2.gz MMALKJQQFMXNSU-KRWDZBQOSA-N 2 0 323.444 2.815 20 0 DFADRP CC(C)[N@@H+]1CCC[C@@H](CN[C@@H](c2ncc[nH]2)c2ccccn2)C1 ZINC000569737867 430482048 /nfs/dbraw/zinc/48/20/48/430482048.db2.gz DZNWMOHPIRRIQS-DOTOQJQBSA-N 2 0 313.449 2.604 20 0 DFADRP CCC1([NH+]2CCCC2)CCN(C(=O)C2([NH3+])CC3(CCC3)C2)CC1 ZINC000638862328 430459015 /nfs/dbraw/zinc/45/90/15/430459015.db2.gz SISMGMROHSYNSG-UHFFFAOYSA-N 2 0 319.493 2.515 20 0 DFADRP CCC1([NH+]2CCCC2)CCN(C(=O)[C@H]([NH3+])CCC(C)C)CC1 ZINC000638862286 430459319 /nfs/dbraw/zinc/45/93/19/430459319.db2.gz QWMLYOXQNHGNKV-MRXNPFEDSA-N 2 0 309.498 2.617 20 0 DFADRP CCC1([NH+]2CCCC2)CCN(C(=O)c2oc(C[NH3+])cc2C)CC1 ZINC000638862691 430459676 /nfs/dbraw/zinc/45/96/76/430459676.db2.gz ZTTWQEDIDFILNK-UHFFFAOYSA-N 2 0 319.449 2.527 20 0 DFADRP COc1cccc2c1CCC[C@H]2[NH2+]C[C@@H]1CCCCN1CCO ZINC000584154958 430464567 /nfs/dbraw/zinc/46/45/67/430464567.db2.gz ZXAWIRUAEVPLOF-MAUKXSAKSA-N 2 0 318.461 2.509 20 0 DFADRP OCc1ccccc1C[NH2+][C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000584166799 430465115 /nfs/dbraw/zinc/46/51/15/430465115.db2.gz CLJSURJRJXSQLT-QUCCMNQESA-N 2 0 324.424 2.524 20 0 DFADRP CC(C)[N@H+](C)Cc1ccccc1CNC(=O)[C@H]1CCCCC[NH2+]1 ZINC000569579450 430468661 /nfs/dbraw/zinc/46/86/61/430468661.db2.gz MVPQKQXTIVYWCM-GOSISDBHSA-N 2 0 317.477 2.675 20 0 DFADRP C[N@H+](CCC(=O)NC[C@H]1CCCn2ccnc21)C1CCCCC1 ZINC000548392829 430469446 /nfs/dbraw/zinc/46/94/46/430469446.db2.gz HDRVJIRHEQJMEQ-OAHLLOKOSA-N 2 0 318.465 2.531 20 0 DFADRP C[C@@H](C(=O)N(C)C(C)(C)C[NH+]1CCCC1)[NH+]1[C@H](C)CC[C@H]1C ZINC000584339892 430474264 /nfs/dbraw/zinc/47/42/64/430474264.db2.gz HUQIPISRLOAWMF-OAGGEKHMSA-N 2 0 309.498 2.581 20 0 DFADRP CC1(C)[C@H]([NH3+])C[C@H]1[NH2+]Cc1cccc(OCc2ccccn2)c1 ZINC000641801253 430476910 /nfs/dbraw/zinc/47/69/10/430476910.db2.gz OOTIXOMFUCOFBH-QZTJIDSGSA-N 2 0 311.429 2.876 20 0 DFADRP O=C(CC[NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1)Nc1ccc(Cl)cc1 ZINC000569686686 430477267 /nfs/dbraw/zinc/47/72/67/430477267.db2.gz TXHOFEPYIRTBGC-ZDUSSCGKSA-N 2 0 321.852 2.743 20 0 DFADRP O[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]C[C@@H]2CC[C@@H]3C[C@@H]3C2)CC1 ZINC000638747136 430422747 /nfs/dbraw/zinc/42/27/47/430422747.db2.gz AXYJMNFDYXHOJH-RFXPCRSYSA-N 2 0 306.494 2.780 20 0 DFADRP CO[C@@H](C[NH2+]C1CCC([NH+]2CCC(C)CC2)CC1)[C@H]1CCOC1 ZINC000638776916 430431161 /nfs/dbraw/zinc/43/11/61/430431161.db2.gz SJKLPPCDTAIAJS-RGVPCPSESA-N 2 0 324.509 2.671 20 0 DFADRP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCC[N@@H+]2C[C@@H]2CCC3(CCCC3)O2)C1 ZINC000641818036 430482644 /nfs/dbraw/zinc/48/26/44/430482644.db2.gz CCJLVBFFHAERKX-OWSLCNJRSA-N 2 0 322.493 2.839 20 0 DFADRP C[C@H]([NH2+]C1CC(n2cccn2)C1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000638973184 430485386 /nfs/dbraw/zinc/48/53/86/430485386.db2.gz YFIDRLXOTSZYTK-WMTDPASSSA-N 2 0 302.466 2.829 20 0 DFADRP Cc1ccc(CC[NH2+]Cc2ccccc2C[N@@H+]2CC[C@@H](O)C2)cc1 ZINC000638977568 430487121 /nfs/dbraw/zinc/48/71/21/430487121.db2.gz VAVCYHFUPNRKAM-OAQYLSRUSA-N 2 0 324.468 2.894 20 0 DFADRP CCC1([NH+](C)C)CCN(C(=O)CC[C@H]([NH3+])c2ccccc2)CC1 ZINC000638975511 430487311 /nfs/dbraw/zinc/48/73/11/430487311.db2.gz JROVIXRBXZERTB-KRWDZBQOSA-N 2 0 317.477 2.799 20 0 DFADRP CC(C)C[C@H](C)CC(=O)Nc1cc(N2CC[NH2+]CC2)cc[nH+]1 ZINC000638986384 430488635 /nfs/dbraw/zinc/48/86/35/430488635.db2.gz MJDVQUTVLGTAMW-AWEZNQCLSA-N 2 0 304.438 2.502 20 0 DFADRP CC[NH2+]CCCN[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000569833908 430490171 /nfs/dbraw/zinc/49/01/71/430490171.db2.gz HXTGVZPFIOODRU-LDLYASANSA-N 2 0 301.478 2.771 20 0 DFADRP CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)CC[NH+](C)C1CCCCC1 ZINC000548716638 430494951 /nfs/dbraw/zinc/49/49/51/430494951.db2.gz QMOPNOZQSLINMU-AEFFLSMTSA-N 2 0 321.509 2.726 20 0 DFADRP C[NH+](C)Cc1cccc(C(=O)N2C[C@H](C[NH3+])Cc3ccccc32)c1 ZINC000639024535 430495461 /nfs/dbraw/zinc/49/54/61/430495461.db2.gz PVLSGMHXCVRQRR-INIZCTEOSA-N 2 0 323.440 2.526 20 0 DFADRP CCO[C@@H]1C[C@@H]([NH2+]CC[C@H](C)[NH+]2CCCCC2)[C@]12CCCO2 ZINC000639037232 430499155 /nfs/dbraw/zinc/49/91/55/430499155.db2.gz HAZVEIFVRFFSRX-BSDSXHPESA-N 2 0 310.482 2.567 20 0 DFADRP C[C@H](C(=O)N1CC[C@@H](C[NH3+])c2ccccc21)[C@@H]([NH3+])c1ccccc1 ZINC000639069616 430511096 /nfs/dbraw/zinc/51/10/96/430511096.db2.gz YUCLZCSIYGSGGZ-URLQWDBASA-N 2 0 323.440 2.802 20 0 DFADRP CC[NH+](CC)Cc1ccc(C(=O)N[C@H](C)C[NH+]2CCCCC2)o1 ZINC000642351915 430513593 /nfs/dbraw/zinc/51/35/93/430513593.db2.gz BNKDXLLZLMYUFZ-OAHLLOKOSA-N 2 0 321.465 2.726 20 0 DFADRP C[N@H+](C[C@H]1CCN(c2ccccc2)C1)C[C@@H]1CCc2nccn2C1 ZINC000639078338 430515676 /nfs/dbraw/zinc/51/56/76/430515676.db2.gz ZLNZONILZDLJPN-ZWKOTPCHSA-N 2 0 324.472 2.904 20 0 DFADRP CC[NH+]1CCN(c2ccc(C[NH2+][C@@H]3CCC[C@H]4C[C@H]43)cn2)CC1 ZINC000549042800 430515809 /nfs/dbraw/zinc/51/58/09/430515809.db2.gz LVMKEVCJMCRSNC-RCCFBDPRSA-N 2 0 314.477 2.502 20 0 DFADRP CC[NH+](CC)Cc1ccc(C(=O)NC[C@@H]2CCC[N@H+](C)C2)cc1 ZINC000549097382 430516768 /nfs/dbraw/zinc/51/67/68/430516768.db2.gz ORECPJAQSDMTSY-KRWDZBQOSA-N 2 0 317.477 2.600 20 0 DFADRP COc1cc2c(cc1OC)[C@H]([N@H+](C)C[C@@H]1CC[NH+](C)C1)CC2 ZINC000639082385 430517164 /nfs/dbraw/zinc/51/71/64/430517164.db2.gz ZMTLFODOOWULBK-CZUORRHYSA-N 2 0 304.434 2.575 20 0 DFADRP COC(=O)CCC[C@@H]1CCC[C@H]([NH2+]C[C@H]2CCC[N@H+](C)C2)C1 ZINC000549755442 430530086 /nfs/dbraw/zinc/53/00/86/430530086.db2.gz MLUZWOVROXADBB-BBWFWOEESA-N 2 0 310.482 2.820 20 0 DFADRP C[C@@H](N[C@@H](C[NH+]1CCCCC1)c1ccccc1)[C@@H]1CCC[NH2+]1 ZINC000643451864 430600757 /nfs/dbraw/zinc/60/07/57/430600757.db2.gz NIMVKBUIBRPPPF-NEWSRXKRSA-N 2 0 301.478 2.944 20 0 DFADRP Cc1ccc(C[NH+]2CCC(C[NH+]3CCN(C)CC3)CC2)c(F)c1 ZINC000639169578 430552438 /nfs/dbraw/zinc/55/24/38/430552438.db2.gz FXTPGCYHTANDPN-UHFFFAOYSA-N 2 0 319.468 2.594 20 0 DFADRP Cn1ccnc1[C@@H](C1CC1)[N@@H+]1CC[C@@H](C2CC[NH+](C)CC2)C1 ZINC000639176481 430555786 /nfs/dbraw/zinc/55/57/86/430555786.db2.gz HVCGXSNCFMCGBT-IAGOWNOFSA-N 2 0 302.466 2.535 20 0 DFADRP C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C[C@H]2CCN(c3ccccc3)C2)C1 ZINC000639178947 430558478 /nfs/dbraw/zinc/55/84/78/430558478.db2.gz PVAUKOLACXXNGK-CMKODMSKSA-N 2 0 313.489 2.929 20 0 DFADRP COc1nc2ccccc2cc1C[N@@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000571088128 430601106 /nfs/dbraw/zinc/60/11/06/430601106.db2.gz MBBGPXOYHZPSOQ-UAGQMJEPSA-N 2 0 311.429 2.803 20 0 DFADRP C[C@]1([NH2+]Cc2c[nH]c3ncncc23)CCN(Cc2ccccc2)C1 ZINC000639297500 430601588 /nfs/dbraw/zinc/60/15/88/430601588.db2.gz XBPNJNQOVIGFOW-IBGZPJMESA-N 2 0 321.428 2.664 20 0 DFADRP CC(C)(O)C[NH+]1CCC([NH2+]C[C@H]2C[C@@H]2c2ccccc2)CC1 ZINC000639298760 430601676 /nfs/dbraw/zinc/60/16/76/430601676.db2.gz LNSZTORJHOIXOD-SJLPKXTDSA-N 2 0 302.462 2.615 20 0 DFADRP C[C@@H]([NH2+]C[C@@H]1CCN(c2ccccc2F)C1)C1CC[NH+](C)CC1 ZINC000643320924 430581115 /nfs/dbraw/zinc/58/11/15/430581115.db2.gz XDZNASHLMBJKQL-CVEARBPZSA-N 2 0 319.468 2.972 20 0 DFADRP COCCOCc1ccc(C[NH2+][C@H](C)C2CC[NH+](C)CC2)cc1 ZINC000643319290 430581741 /nfs/dbraw/zinc/58/17/41/430581741.db2.gz LEMPMVIJJHNVHV-MRXNPFEDSA-N 2 0 320.477 2.670 20 0 DFADRP C[NH+](C)CCOc1cccc(N[C@@H]2CC[N@H+](C)[C@@H]3CCC[C@H]32)c1 ZINC000552070765 430583021 /nfs/dbraw/zinc/58/30/21/430583021.db2.gz CXRHKIMVMABYNK-IPMKNSEASA-N 2 0 317.477 2.912 20 0 DFADRP C[NH+](C)CCOc1cccc(N[C@@H]2CC[N@H+](C)[C@H]3CCC[C@H]32)c1 ZINC000552070766 430583149 /nfs/dbraw/zinc/58/31/49/430583149.db2.gz CXRHKIMVMABYNK-OTWHNJEPSA-N 2 0 317.477 2.912 20 0 DFADRP C[N@H+](CCCC[NH2+]C[C@H]1CCN(c2ccccc2)C1)C1CC1 ZINC000639244916 430585973 /nfs/dbraw/zinc/58/59/73/430585973.db2.gz QGYGDPBVCKBOKR-QGZVFWFLSA-N 2 0 301.478 2.977 20 0 DFADRP CC[NH+]1CCC(N2CCCN(C(=O)CCCC3CC3)CC2)CC1 ZINC000643362311 430592790 /nfs/dbraw/zinc/59/27/90/430592790.db2.gz OVMXVOZHRBTTDC-UHFFFAOYSA-N 2 0 321.509 2.585 20 0 DFADRP C[C@H](NC[C@@H](c1ccccc1)[NH+]1CCCC1)[C@H]1CCC[NH2+]C1 ZINC000643454233 430602339 /nfs/dbraw/zinc/60/23/39/430602339.db2.gz OEQNMJLBAWHCNZ-WDSOQIARSA-N 2 0 301.478 2.801 20 0 DFADRP CC[C@H](C(=O)OC)[NH+]1CCC(CC[N@H+](CC)CC2CC2)CC1 ZINC000552441251 430596712 /nfs/dbraw/zinc/59/67/12/430596712.db2.gz UGYSRFJJRMAGKJ-QGZVFWFLSA-N 2 0 310.482 2.772 20 0 DFADRP Cc1cnccc1CC[NH2+][C@H](C)c1cn(-c2ccccc2)nn1 ZINC000552578019 430599037 /nfs/dbraw/zinc/59/90/37/430599037.db2.gz OREFMWRILXZSNQ-OAHLLOKOSA-N 2 0 307.401 2.864 20 0 DFADRP C[C@@H]1C[C@H](C)C[N@@H+](CCC[NH2+][C@@H]2COc3ccccc3C2)C1 ZINC000550621512 430542996 /nfs/dbraw/zinc/54/29/96/430542996.db2.gz DFDANSCZLPWYFQ-JZXOWHBKSA-N 2 0 302.462 2.948 20 0 DFADRP CC[C@@H]1CN(c2cc[nH+]c3cc(F)c(OC)cc32)CC[C@H]1[NH3+] ZINC000643033070 430543430 /nfs/dbraw/zinc/54/34/30/430543430.db2.gz KVTPJZUSWSWFDU-BXUZGUMPSA-N 2 0 303.381 2.946 20 0 DFADRP CC(C)C[N@@H+]1CCC[C@H](C[NH2+][C@H]2COc3ccccc3C2)C1 ZINC000550700404 430545240 /nfs/dbraw/zinc/54/52/40/430545240.db2.gz HVOUHJSGSMMBNQ-SJLPKXTDSA-N 2 0 302.462 2.948 20 0 DFADRP COc1ccc([C@H](C[NH3+])CN2CC(C)(C)OCC2(C)C)cc1 ZINC000643057873 430546297 /nfs/dbraw/zinc/54/62/97/430546297.db2.gz PSEVZZQIXDJAGZ-OAHLLOKOSA-N 2 0 306.450 2.627 20 0 DFADRP COC[C@H](CCC[NH3+])[NH2+][C@H](CN1CCCCC1)c1ccccc1 ZINC000643451857 430600669 /nfs/dbraw/zinc/60/06/69/430600669.db2.gz LJKZNCHVQSNWGC-RBUKOAKNSA-N 2 0 319.493 2.557 20 0 DFADRP CC[C@@](C)(C[N@H+](C)C[C@@H]1CCCN(C)[C@H]1c1cncn1C)OC ZINC000639155027 430546588 /nfs/dbraw/zinc/54/65/88/430546588.db2.gz LDBCACNIAXYNKU-JQHSSLGASA-N 2 0 322.497 2.550 20 0 DFADRP COc1cccc(OCCN2CCCC[C@H]2[C@@H]2CCC[NH2+]2)c1 ZINC000643061700 430546574 /nfs/dbraw/zinc/54/65/74/430546574.db2.gz JGKWMSWGUAOZEB-ROUUACIJSA-N 2 0 304.434 2.681 20 0 DFADRP OC1CC[NH+](Cc2ccc(C[NH2+][C@H]3CCC[C@H]4C[C@H]43)cc2)CC1 ZINC000554724805 430649904 /nfs/dbraw/zinc/64/99/04/430649904.db2.gz TVWNDCBAPTYDBI-SXLOBPIMSA-N 2 0 314.473 2.922 20 0 DFADRP COc1ccc2[nH]cc(CC[NH2+][C@H]3CC[NH2+]CC[C@H]3C)c2c1 ZINC000643453905 430603129 /nfs/dbraw/zinc/60/31/29/430603129.db2.gz HACJMPCPGGYYFE-DYVFJYSZSA-N 2 0 301.434 2.697 20 0 DFADRP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]C[C@H]1CCN(c2ccc(F)c(F)c2)C1 ZINC000643453263 430603172 /nfs/dbraw/zinc/60/31/72/430603172.db2.gz VAGZKVXZVSEBKO-QWQRMKEZSA-N 2 0 323.431 2.898 20 0 DFADRP c1ccc(CCCC[NH2+][C@@H]2CCOC[C@@H]2[C@H]2CCC[NH2+]2)cc1 ZINC000643458270 430603852 /nfs/dbraw/zinc/60/38/52/430603852.db2.gz DSZBKDRRZAWDAH-GUDVDZBRSA-N 2 0 302.462 2.756 20 0 DFADRP FC(F)CN1CCC([NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)CC1 ZINC000643460013 430604009 /nfs/dbraw/zinc/60/40/09/430604009.db2.gz HMPBMXUFKVYJOV-OWCLPIDISA-N 2 0 315.452 2.616 20 0 DFADRP CCOCCOCc1cccc(C[NH2+][C@H](C)[C@H]2CCC[NH2+]C2)c1 ZINC000643461463 430604852 /nfs/dbraw/zinc/60/48/52/430604852.db2.gz BKBOPVVQDIUBOR-APWZRJJASA-N 2 0 320.477 2.717 20 0 DFADRP CC(C)[N@@H+]1CC[C@H](CN[C@@H]2C[NH+](Cc3ccccc3)C[C@H]2C)C1 ZINC000571127469 430605189 /nfs/dbraw/zinc/60/51/89/430605189.db2.gz XMJRSBRMLNWYDZ-MISYRCLQSA-N 2 0 315.505 2.827 20 0 DFADRP CCC[C@@H](C[NH2+]CC1CC[NH+](Cc2ccncc2)CC1)OC ZINC000639311338 430605325 /nfs/dbraw/zinc/60/53/25/430605325.db2.gz LXRLIICYWYMMHZ-SFHVURJKSA-N 2 0 305.466 2.698 20 0 DFADRP CC[C@@H](C)[C@@H](C[NH2+]CC1CC[NH+](Cc2ccncc2)CC1)OC ZINC000639310780 430605964 /nfs/dbraw/zinc/60/59/64/430605964.db2.gz HFLTYZLCXABYMS-VQIMIIECSA-N 2 0 319.493 2.944 20 0 DFADRP c1nn(-c2cc[nH+]cc2)cc1N[C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1 ZINC000643469442 430606073 /nfs/dbraw/zinc/60/60/73/430606073.db2.gz VTGFLZBTGHOIMX-OKZBNKHCSA-N 2 0 311.433 2.990 20 0 DFADRP COc1ccc(OC)c(CCC[NH2+][C@@H](C)[C@H]2CCC[NH2+]C2)c1 ZINC000643476597 430607151 /nfs/dbraw/zinc/60/71/51/430607151.db2.gz VQULVKRHVGASPL-HOCLYGCPSA-N 2 0 306.450 2.614 20 0 DFADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]C[C@H](c1ccnn1C)C(C)C ZINC000643484330 430607449 /nfs/dbraw/zinc/60/74/49/430607449.db2.gz WFMOSJCWKSOADM-GUYCJALGSA-N 2 0 315.465 2.673 20 0 DFADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+][C@@H]1CCO[C@H](c2nccn2C)C1 ZINC000643493629 430608499 /nfs/dbraw/zinc/60/84/99/430608499.db2.gz ZLBIEZSHJSTURP-TWMKSMIVSA-N 2 0 320.481 2.541 20 0 DFADRP c1ccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@@H](NC[C@H]2CCCC[NH2+]2)C3)cc1 ZINC000643501548 430610361 /nfs/dbraw/zinc/61/03/61/430610361.db2.gz KEPMNBFZRASDOG-YSTOQKLRSA-N 2 0 313.489 2.914 20 0 DFADRP c1ccc(C[N@H+]2C[C@@H]3CCC[C@H](NCC[NH2+]C4CC4)[C@@H]3C2)cc1 ZINC000643507516 430611092 /nfs/dbraw/zinc/61/10/92/430611092.db2.gz HBLFZTJBEOUJHF-SXLOBPIMSA-N 2 0 313.489 2.629 20 0 DFADRP CC1CC[NH+](CCC[C@@H](NC2C[NH2+]C2)c2ccc(F)cc2)CC1 ZINC000643510291 430611718 /nfs/dbraw/zinc/61/17/18/430611718.db2.gz QZYNMYOFUCQMTH-LJQANCHMSA-N 2 0 319.468 2.940 20 0 DFADRP COc1ccc(C[C@H](C)[NH2+][C@H]2CCC[NH2+]CC2)c(C)c1OC ZINC000643522531 430612597 /nfs/dbraw/zinc/61/25/97/430612597.db2.gz ONTPRGSDDJNSKV-BBRMVZONSA-N 2 0 306.450 2.675 20 0 DFADRP COc1cccc(C[C@H]([NH2+][C@H]2CC23CC[NH2+]CC3)C2CC2)c1 ZINC000643535629 430613837 /nfs/dbraw/zinc/61/38/37/430613837.db2.gz OAKDCIWQEWHSFN-ROUUACIJSA-N 2 0 300.446 2.748 20 0 DFADRP C[C@H]([NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1)c1ccccc1-n1cccn1 ZINC000643548186 430615380 /nfs/dbraw/zinc/61/53/80/430615380.db2.gz RASLNJVYOQIKIL-LUKYLMHMSA-N 2 0 310.445 2.911 20 0 DFADRP C[C@H]([NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)c1ccc2[nH]c(=O)oc2c1 ZINC000643549184 430615418 /nfs/dbraw/zinc/61/54/18/430615418.db2.gz PDFYRZZDTWKHMN-AHLTXXRQSA-N 2 0 301.390 2.572 20 0 DFADRP C[C@@H]([NH2+]C[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1)c1cn[nH]c1 ZINC000643541272 430615468 /nfs/dbraw/zinc/61/54/68/430615468.db2.gz QWEPPZZIVGALRS-ISTRZQFTSA-N 2 0 302.397 2.593 20 0 DFADRP Cc1nn(C(C)(C)C)cc1[C@H](C)[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000643548000 430615634 /nfs/dbraw/zinc/61/56/34/430615634.db2.gz JJMBOPXCPXQZLL-DRPJVOAASA-N 2 0 304.482 2.985 20 0 DFADRP CC(=O)Nc1ccc([C@H](C)[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC000643549103 430615732 /nfs/dbraw/zinc/61/57/32/430615732.db2.gz AWPVSMGLDNFGJB-OBZJAWTPSA-N 2 0 301.434 2.684 20 0 DFADRP C[C@H]([NH2+][C@H]1CC[NH2+]C2(CCC2)C1)c1ccc(C(=O)N(C)C)cc1 ZINC000643547547 430615942 /nfs/dbraw/zinc/61/59/42/430615942.db2.gz GSUMRHZQDSJCBT-YOEHRIQHSA-N 2 0 315.461 2.714 20 0 DFADRP COc1cc2c(cc1OC)[C@@H]([NH2+][C@@H]1CC[NH2+]C3(CCC3)C1)CC2 ZINC000643548610 430616232 /nfs/dbraw/zinc/61/62/32/430616232.db2.gz RVLHBTWEWSHFQD-ZBFHGGJFSA-N 2 0 316.445 2.955 20 0 DFADRP CC(=O)Nc1ccc([C@@H](C)[NH2+][C@@H]2CC[NH2+]C3(CCC3)C2)cc1 ZINC000643548879 430616350 /nfs/dbraw/zinc/61/63/50/430616350.db2.gz WTDOBQCGVCTTPJ-CXAGYDPISA-N 2 0 301.434 2.970 20 0 DFADRP C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)CC[N@H+](C)C1CCCCC1 ZINC000553777260 430622730 /nfs/dbraw/zinc/62/27/30/430622730.db2.gz YVZJCJPJYYDQBO-AEFFLSMTSA-N 2 0 321.509 2.726 20 0 DFADRP CC(C)Oc1ccc(C[NH2+][C@@H]2CCC[C@@H]2N2CC[C@@H](O)C2)cc1 ZINC000639370306 430622742 /nfs/dbraw/zinc/62/27/42/430622742.db2.gz MRGJYENLRMOSFF-QRQLOZEOSA-N 2 0 318.461 2.551 20 0 DFADRP O[C@@H]1CCN([C@@H]2CCC[C@@H]2[NH2+]Cc2cc3cc(F)ccc3o2)C1 ZINC000639369816 430622778 /nfs/dbraw/zinc/62/27/78/430622778.db2.gz KYAVGWUCTAYGAS-HYVNUMGLSA-N 2 0 318.392 2.649 20 0 DFADRP Cc1ccc(C[NH2+][C@@H]2CCC[C@@H]2N2CC[C@H](O)C2)cc1Cl ZINC000639371053 430623324 /nfs/dbraw/zinc/62/33/24/430623324.db2.gz FQNSDCFTAPLYGZ-UAGQMJEPSA-N 2 0 308.853 2.726 20 0 DFADRP C[C@H](CC[NH2+][C@@H]1CCC[C@@H]1N1CC[C@H](O)C1)c1ccccc1 ZINC000639370992 430623768 /nfs/dbraw/zinc/62/37/68/430623768.db2.gz FMDQHTMEHWYWKJ-LULLPPNCSA-N 2 0 302.462 2.758 20 0 DFADRP CC(C)(O)C[NH+]1CCC([NH2+]CC2([C@H]3CCCCO3)CCC2)CC1 ZINC000639389962 430632261 /nfs/dbraw/zinc/63/22/61/430632261.db2.gz VFIHVXUHNJAFDB-QGZVFWFLSA-N 2 0 324.509 2.551 20 0 DFADRP C[C@@H]([NH2+]CCc1cc(Cl)c2c(c1)OCCO2)[C@H]1CCC[NH2+]C1 ZINC000571669467 430645102 /nfs/dbraw/zinc/64/51/02/430645102.db2.gz NMKZPKHXZJQDBF-OCCSQVGLSA-N 2 0 324.852 2.631 20 0 DFADRP CC[NH+](CC)CCCC1CC[NH+](C[C@H]2CCc3ncnn32)CC1 ZINC000639575378 430674838 /nfs/dbraw/zinc/67/48/38/430674838.db2.gz CENPXXQHPIBCMW-QGZVFWFLSA-N 2 0 319.497 2.599 20 0 DFADRP C[C@H]1CCC[C@H](C)C1[NH2+]C[C@@H](O)CN1CCc2ccccc2C1 ZINC000572263883 430679784 /nfs/dbraw/zinc/67/97/84/430679784.db2.gz ZPKCNODVLNIVBW-TXPKVOOTSA-N 2 0 316.489 2.820 20 0 DFADRP C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)CCCC[NH+](C)C)C1 ZINC000572506784 430688936 /nfs/dbraw/zinc/68/89/36/430688936.db2.gz NNBVTUSAEJSGAV-IAGOWNOFSA-N 2 0 311.514 2.593 20 0 DFADRP CSC1(C[NH2+][C@H](C)CC(=O)OC(C)(C)C)CC[NH+](C)CC1 ZINC000353626476 278126096 /nfs/dbraw/zinc/12/60/96/278126096.db2.gz IGAYRSPWIGCXPP-CYBMUJFWSA-N 2 0 316.511 2.524 20 0 DFADRP CSC1(C[NH2+][C@@H]2CS[C@H](C(C)C)C2)CC[NH+](C)CC1 ZINC000356356353 278126185 /nfs/dbraw/zinc/12/61/85/278126185.db2.gz FDMLPLZXYRNGKW-KBPBESRZSA-N 2 0 302.553 2.934 20 0 DFADRP C[C@H](C[NH2+][C@@H]1CC(C)(C)c2ccccc21)CN1CC[NH+](C)CC1 ZINC000178691235 278209443 /nfs/dbraw/zinc/20/94/43/278209443.db2.gz FYVROCAAIODWNP-VQIMIIECSA-N 2 0 315.505 2.882 20 0 DFADRP CN(CCC[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@@H]21)c1ccccc1 ZINC000556875643 430695134 /nfs/dbraw/zinc/69/51/34/430695134.db2.gz AHQSZGZJJHOHAN-QRVBRYPASA-N 2 0 301.478 2.975 20 0 DFADRP C[C@@H](C[N@H+](C)Cc1ccccc1)NC1CC[NH+](C2CC2)CC1 ZINC000297799565 278242205 /nfs/dbraw/zinc/24/22/05/278242205.db2.gz XHVHSIGCUZSQRK-INIZCTEOSA-N 2 0 301.478 2.723 20 0 DFADRP C[C@@H](CN[C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1)[NH+](C)C1CC1 ZINC000274928848 278284233 /nfs/dbraw/zinc/28/42/33/278284233.db2.gz QNICHMBJEQLARC-LNLFQRSKSA-N 2 0 315.505 2.969 20 0 DFADRP C[C@@H]([NH2+]C1CCN(c2cc[nH+]cc2)CC1)[C@H](O)c1ccccc1 ZINC000297369849 278336776 /nfs/dbraw/zinc/33/67/76/278336776.db2.gz HNUYKUPLDHCYGL-BEFAXECRSA-N 2 0 311.429 2.762 20 0 DFADRP C[C@@H]([NH2+]CC1(C)OCCCO1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000277335391 278340099 /nfs/dbraw/zinc/34/00/99/278340099.db2.gz UPKGTVSJFMWRPJ-SJLPKXTDSA-N 2 0 318.461 2.640 20 0 DFADRP CC(C)O[C@@H]1CC[NH+]([C@@H](C)CC[N@H+]2CC[C@@H](OC(C)C)C2)C1 ZINC000572957411 430698550 /nfs/dbraw/zinc/69/85/50/430698550.db2.gz APHHULNSTOOYEH-RCCFBDPRSA-N 2 0 312.498 2.764 20 0 DFADRP C[C@@H](O)C[N@H+](C)C1CC[NH+](C[C@@H]2CCc3ccccc3C2)CC1 ZINC000359587544 278393102 /nfs/dbraw/zinc/39/31/02/278393102.db2.gz FCILMUGATARLKM-IAGOWNOFSA-N 2 0 316.489 2.569 20 0 DFADRP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)C[C@H](C)c2ccccc2)CC1 ZINC000246949402 278395373 /nfs/dbraw/zinc/39/53/73/278395373.db2.gz CTAWEMPXJLOKGH-DLBZAZTESA-N 2 0 304.478 2.815 20 0 DFADRP c1cc(C[NH2+][C@@H]2[C@H]3Cc4ccccc4[C@@H]23)n(-c2cc[nH+]cc2)n1 ZINC000657727803 430718382 /nfs/dbraw/zinc/71/83/82/430718382.db2.gz TVNWHBNBWQGARA-IPMKNSEASA-N 2 0 302.381 2.695 20 0 DFADRP c1c2ccncc2sc1C[NH2+]C1CCN([C@H]2CCOC2)CC1 ZINC000657751078 430725140 /nfs/dbraw/zinc/72/51/40/430725140.db2.gz FRBFZBZHWFGYKW-HNNXBMFYSA-N 2 0 317.458 2.639 20 0 DFADRP COc1ccc([C@@H](C)C[NH2+]C2CCN([C@H]3CCOC3)CC2)cc1 ZINC000657753610 430725672 /nfs/dbraw/zinc/72/56/72/430725672.db2.gz YGFPIBADAHNLLL-YJBOKZPZSA-N 2 0 318.461 2.642 20 0 DFADRP CN(Cc1ccccc1)C[C@@H](O)C[NH2+]CCCC(C)(F)F ZINC000644655581 430781032 /nfs/dbraw/zinc/78/10/32/430781032.db2.gz HSUROOFOKPRJTI-HNNXBMFYSA-N 2 0 300.393 2.504 20 0 DFADRP COC[C@@H](CC1CCOCC1)[NH2+]CC(C)(C)C[NH+]1CCCC1 ZINC000657988533 430782049 /nfs/dbraw/zinc/78/20/49/430782049.db2.gz AXJVTMUVATWTHO-QGZVFWFLSA-N 2 0 312.498 2.530 20 0 DFADRP COc1ccc(C[NH2+]CC2CC[NH+](CC3CC3)CC2)cc1O ZINC000657812534 430743884 /nfs/dbraw/zinc/74/38/84/430743884.db2.gz RQJXULMKYSHHEI-UHFFFAOYSA-N 2 0 304.434 2.612 20 0 DFADRP O=C(CC[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1)Nc1cccc(Cl)c1 ZINC000644524085 430744439 /nfs/dbraw/zinc/74/44/39/430744439.db2.gz PZSVVLVMSKMVJC-HOCLYGCPSA-N 2 0 321.852 2.885 20 0 DFADRP Cn1c2ccccc2nc1C[NH2+]CC1CC[NH+](CC2CC2)CC1 ZINC000657813261 430744563 /nfs/dbraw/zinc/74/45/63/430744563.db2.gz MGUQNEMBEKQAEE-UHFFFAOYSA-N 2 0 312.461 2.785 20 0 DFADRP C[C@@H]1CCCC[C@H]1[NH2+]CC(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000246118484 278470633 /nfs/dbraw/zinc/47/06/33/278470633.db2.gz UTYVVQKTHSEEFR-KBAYOESNSA-N 2 0 317.477 2.574 20 0 DFADRP C[C@H]([NH2+]C1CCN(CC[NH+](C)C)CC1)c1cc2cnccc2o1 ZINC000657833522 430748329 /nfs/dbraw/zinc/74/83/29/430748329.db2.gz UXOHYOUBLQUJPY-AWEZNQCLSA-N 2 0 316.449 2.504 20 0 DFADRP CC(C)(C)[NH+]1CCC([NH2+][C@@H]2CC[C@@](O)(C(F)(F)F)C2)CC1 ZINC000644551599 430750518 /nfs/dbraw/zinc/75/05/18/430750518.db2.gz JXELAKSXJCWASM-OCCSQVGLSA-N 2 0 308.388 2.685 20 0 DFADRP CC[C@@H](O)C[NH2+]CC1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000644548812 430751349 /nfs/dbraw/zinc/75/13/49/430751349.db2.gz FWGOAUONTOQUOH-MRXNPFEDSA-N 2 0 310.869 2.913 20 0 DFADRP CCCC[NH+]1CCC([NH2+]C[C@H](O)COc2ccc(C)cc2)CC1 ZINC000644557672 430753424 /nfs/dbraw/zinc/75/34/24/430753424.db2.gz CDMIWHAQLJZCLB-SFHVURJKSA-N 2 0 320.477 2.589 20 0 DFADRP CCCC[NH+]1CCC([NH2+][C@@H](COC)CC2CCOCC2)CC1 ZINC000657860194 430754373 /nfs/dbraw/zinc/75/43/73/430754373.db2.gz XQBVNRGIPBOULW-GOSISDBHSA-N 2 0 312.498 2.672 20 0 DFADRP CC[C@H]([NH2+]C[C@@H](O)CN(C)Cc1ccccc1)c1ccncc1 ZINC000644573588 430757072 /nfs/dbraw/zinc/75/70/72/430757072.db2.gz QQAOOTPOVXKFQI-MOPGFXCFSA-N 2 0 313.445 2.615 20 0 DFADRP Cc1ccc(OC[C@@H](O)C[NH2+][C@H](CC[NH+](C)C)C(C)(C)C)cc1 ZINC000644569922 430757329 /nfs/dbraw/zinc/75/73/29/430757329.db2.gz OSBKQTDUIPQDAT-FUHWJXTLSA-N 2 0 322.493 2.691 20 0 DFADRP Cc1c(F)cccc1NC(=O)CC[NH2+][C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000644583797 430760077 /nfs/dbraw/zinc/76/00/77/430760077.db2.gz KMSZJLSKWOOXOZ-HUUCEWRRSA-N 2 0 321.440 2.925 20 0 DFADRP CC[NH+]1CCC(CC[NH2+][C@@H](COC)CC2CCOCC2)CC1 ZINC000657892047 430760205 /nfs/dbraw/zinc/76/02/05/430760205.db2.gz USZBUTVCCSVHEB-GOSISDBHSA-N 2 0 312.498 2.530 20 0 DFADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]C2CC(CF)(CF)C2)[C@H](C)C1 ZINC000657884540 430761044 /nfs/dbraw/zinc/76/10/44/430761044.db2.gz VGGFXIPXEGREDU-GDBMZVCRSA-N 2 0 318.452 2.801 20 0 DFADRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H]2CCCSCC2)[C@H](C)C1 ZINC000657884455 430761225 /nfs/dbraw/zinc/76/12/25/430761225.db2.gz ULFBYIWWZHYUHZ-IKGGRYGDSA-N 2 0 314.539 2.999 20 0 DFADRP CC[C@H](Cc1ccc(Cl)cc1)[NH2+]CC1(O)CC[NH+](C)CC1 ZINC000657891486 430761396 /nfs/dbraw/zinc/76/13/96/430761396.db2.gz ZVFILNYNPZCNGU-MRXNPFEDSA-N 2 0 310.869 2.707 20 0 DFADRP C[C@H]1C[NH+](CCCC[NH2+]C2CC(CF)(CF)C2)C[C@H](C)O1 ZINC000657919530 430766901 /nfs/dbraw/zinc/76/69/01/430766901.db2.gz NAJZIYUVDHITQN-KBPBESRZSA-N 2 0 304.425 2.553 20 0 DFADRP C[C@@H]1CCC[C@H](C)C1[NH2+]Cc1cccnc1N1CC[NH+](C)CC1 ZINC000158497398 278505946 /nfs/dbraw/zinc/50/59/46/278505946.db2.gz WWFQLTGRMMKEFO-BYICEURKSA-N 2 0 316.493 2.748 20 0 DFADRP COC[C@H](CC1CCOCC1)[NH2+]CC[C@@H](C)[NH+]1CCCCC1 ZINC000657972400 430779462 /nfs/dbraw/zinc/77/94/62/430779462.db2.gz GEXWMHGJXIVROV-AEFFLSMTSA-N 2 0 312.498 2.672 20 0 DFADRP C[C@@H](CN(C)CCC[NH+](C)C)[NH2+][C@@H]1CCc2ccc(F)cc21 ZINC000658107305 430813428 /nfs/dbraw/zinc/81/34/28/430813428.db2.gz GTPKRBFWSORWJL-KBXCAEBGSA-N 2 0 307.457 2.675 20 0 DFADRP Cc1ccc2c(c1)[C@H]([NH2+][C@@H](C)CN(C)CCC[NH+](C)C)CC2 ZINC000658110183 430814234 /nfs/dbraw/zinc/81/42/34/430814234.db2.gz WEQUGQJJFVGVIZ-QFBILLFUSA-N 2 0 303.494 2.844 20 0 DFADRP C[C@@H](CN(C)CCC[NH+](C)C)[NH2+][C@@H]1CCCc2ccccc21 ZINC000658109735 430814241 /nfs/dbraw/zinc/81/42/41/430814241.db2.gz VQWUCKPINFSTLN-QFBILLFUSA-N 2 0 303.494 2.926 20 0 DFADRP CC1(C)CCC[C@H]1[NH2+]Cc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1 ZINC000658140352 430822386 /nfs/dbraw/zinc/82/23/86/430822386.db2.gz PZZNQKRZHZBRNE-ZWKOTPCHSA-N 2 0 302.462 2.922 20 0 DFADRP CC1(C)CC[C@H]([NH2+]Cc2ccc(C[N@@H+]3CC[C@@H](O)C3)cc2)C1 ZINC000658136632 430824189 /nfs/dbraw/zinc/82/41/89/430824189.db2.gz HNZGVVQAMZWOAW-ZWKOTPCHSA-N 2 0 302.462 2.922 20 0 DFADRP CC1(C)CO[C@H](c2cccc(F)c2)CN1CCn1ccnc1 ZINC000661735917 430824533 /nfs/dbraw/zinc/82/45/33/430824533.db2.gz KNEQDDYXYBAVHW-INIZCTEOSA-N 2 0 303.381 2.874 20 0 DFADRP CCO[C@H]1C[C@H]([NH2+][C@H](C)c2ccc(OCC[NH+](C)C)cc2)C1 ZINC000658163291 430831506 /nfs/dbraw/zinc/83/15/06/430831506.db2.gz NYKPZGZICWBLIM-QGPMSJSTSA-N 2 0 306.450 2.845 20 0 DFADRP C[C@H]([NH2+]CC1CC[NH+](Cc2ccncc2)CC1)[C@]1(C)CCCO1 ZINC000658166808 430832719 /nfs/dbraw/zinc/83/27/19/430832719.db2.gz PGSRKMUEHLYTCE-LPHOPBHVSA-N 2 0 317.477 2.841 20 0 DFADRP C[C@@H]([NH2+]CC1CC[NH+](Cc2ccncc2)CC1)[C@@H]1CCCOC1 ZINC000658167296 430833715 /nfs/dbraw/zinc/83/37/15/430833715.db2.gz RKIBHPIWQWNYJW-VQIMIIECSA-N 2 0 317.477 2.698 20 0 DFADRP C[NH+](C)CCCOc1cnccc1C[NH2+][C@@H]1CCCSCC1 ZINC000658014487 430788359 /nfs/dbraw/zinc/78/83/59/430788359.db2.gz VOGWYTYBUYAYBV-MRXNPFEDSA-N 2 0 323.506 2.787 20 0 DFADRP C[C@@H]([NH2+][C@H]1COC(C)(C)C1)c1ccc(OCC[NH+](C)C)cc1 ZINC000658057933 430796639 /nfs/dbraw/zinc/79/66/39/430796639.db2.gz KDRGQWZZYBEFHA-GDBMZVCRSA-N 2 0 306.450 2.845 20 0 DFADRP C[C@H]([NH2+]C[C@@H]1CCN1C(C)(C)C)c1cccc(-n2ccnn2)c1 ZINC000658060869 430796660 /nfs/dbraw/zinc/79/66/60/430796660.db2.gz NMMBZJLAPAKJIL-YOEHRIQHSA-N 2 0 313.449 2.791 20 0 DFADRP COC[C@@H](CC(C)C)[NH2+]CC1CC[NH+](C2CCOCC2)CC1 ZINC000658068649 430797350 /nfs/dbraw/zinc/79/73/50/430797350.db2.gz XWBDUWULEIMAIB-QGZVFWFLSA-N 2 0 312.498 2.528 20 0 DFADRP C[C@@H]([NH2+]CC1CC[NH+](C2CCOCC2)CC1)c1cncs1 ZINC000658068271 430798393 /nfs/dbraw/zinc/79/83/93/430798393.db2.gz VMHYRWIYKSGDJY-CYBMUJFWSA-N 2 0 309.479 2.685 20 0 DFADRP COC[C@H](CC(C)C)[NH2+]CC1CC[NH+](C2CCOCC2)CC1 ZINC000658068647 430798704 /nfs/dbraw/zinc/79/87/04/430798704.db2.gz XWBDUWULEIMAIB-KRWDZBQOSA-N 2 0 312.498 2.528 20 0 DFADRP C[N@@H+]1CC[C@H]([NH2+]C2CCC(OC(F)F)CC2)[C@H]2CCC[C@@H]21 ZINC000651467928 430802819 /nfs/dbraw/zinc/80/28/19/430802819.db2.gz NFSXALQIQNOEOJ-IFOPZJACSA-N 2 0 302.409 2.999 20 0 DFADRP COC[C@H](CC[NH2+]C1CC[NH+]([C@H]2CCCC[C@@H]2C)CC1)OC ZINC000658083771 430803567 /nfs/dbraw/zinc/80/35/67/430803567.db2.gz BZUKFVDUWMKQCO-SZMVWBNQSA-N 2 0 312.498 2.671 20 0 DFADRP CC[C@@H]1C[C@H]([NH2+]CC2CCN(c3cc[nH+]cc3)CC2)CCO1 ZINC000648494062 430806870 /nfs/dbraw/zinc/80/68/70/430806870.db2.gz PEJMXLCGXCBXFH-SJLPKXTDSA-N 2 0 303.450 2.845 20 0 DFADRP CC(C)(C)CC(C)(C)[NH+]1CCC([NH2+]C[C@@H]2CCC(=O)N2)CC1 ZINC000658257360 430854433 /nfs/dbraw/zinc/85/44/33/430854433.db2.gz LHRNBECYRZCDGS-HNNXBMFYSA-N 2 0 309.498 2.534 20 0 DFADRP COC1CC(CC[NH2+][C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)C1 ZINC000665230279 430862408 /nfs/dbraw/zinc/86/24/08/430862408.db2.gz LYJVJFCUGJGSJP-YXGQEBDGSA-N 2 0 316.445 2.647 20 0 DFADRP CCCN1CC[C@H]([NH2+][C@H](C)c2cccc(OCC[NH+](C)C)c2)C1 ZINC000658286523 430863053 /nfs/dbraw/zinc/86/30/53/430863053.db2.gz AMIRRWAXVYNKMZ-AEFFLSMTSA-N 2 0 319.493 2.762 20 0 DFADRP CCCN1CC[C@H]([NH2+][C@H](C)c2ccc(OCC[NH+](C)C)cc2)C1 ZINC000658287893 430863080 /nfs/dbraw/zinc/86/30/80/430863080.db2.gz ONESBTZSCDTMIK-AEFFLSMTSA-N 2 0 319.493 2.762 20 0 DFADRP C[C@@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]CCc1noc2ccccc12 ZINC000665232535 430864083 /nfs/dbraw/zinc/86/40/83/430864083.db2.gz OOXTUQISYFHUFN-KDOFPFPSSA-N 2 0 309.413 2.918 20 0 DFADRP Cc1nc(C[NH3+])ccc1[C@@H](C)N[C@@H]1C[NH2+]CC[C@@H]1c1ccccc1 ZINC000665252566 430870642 /nfs/dbraw/zinc/87/06/42/430870642.db2.gz SRZWKXMGKUEYLN-CDHQVMDDSA-N 2 0 324.472 2.645 20 0 DFADRP c1ccc([C@@H]2CO[C@H](C[NH2+][C@@H]3CC[C@H]4C[NH2+]C[C@@H]4C3)C2)cc1 ZINC000665263268 430874175 /nfs/dbraw/zinc/87/41/75/430874175.db2.gz JKAOTCPNCHTCDF-FKSLSLAPSA-N 2 0 300.446 2.537 20 0 DFADRP Cn1ncc(C2CC2)c1C[NH2+][C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1 ZINC000665264569 430874673 /nfs/dbraw/zinc/87/46/73/430874673.db2.gz CHARYZARPNXOGU-USXIJHARSA-N 2 0 302.466 2.698 20 0 DFADRP C[C@@H](COc1c(F)cccc1F)[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000665261803 430874769 /nfs/dbraw/zinc/87/47/69/430874769.db2.gz LWOGXKIFJRHMIM-IGQOVBAYSA-N 2 0 310.388 2.710 20 0 DFADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+][C@H](C)CN1CCC(C)CC1 ZINC000665273286 430879803 /nfs/dbraw/zinc/87/98/03/430879803.db2.gz SYNSVRUQVCAXNS-HUUCEWRRSA-N 2 0 304.482 2.620 20 0 DFADRP [NH3+]C[C@@H]1CCC[C@H]1[NH2+]Cc1cccc(COC[C@@H]2CCCO2)c1 ZINC000665294426 430889615 /nfs/dbraw/zinc/88/96/15/430889615.db2.gz OQEIVUMCMKHTIG-GBESFXJTSA-N 2 0 318.461 2.599 20 0 DFADRP C[NH2+]CCCC(=O)N1CCC([NH2+][C@@H](C)c2ccc(C)s2)CC1 ZINC000665285824 430882709 /nfs/dbraw/zinc/88/27/09/430882709.db2.gz XOWFQEZNVIWPRL-AWEZNQCLSA-N 2 0 323.506 2.698 20 0 DFADRP CC(C)[C@H]([NH3+])CCN[C@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000665282251 430883757 /nfs/dbraw/zinc/88/37/57/430883757.db2.gz UHQCNLKBYWZELB-NZSAHSFTSA-N 2 0 303.494 2.860 20 0 DFADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CCN2Cc2ccccc2)[C@@H](C)C1 ZINC000658349919 430883795 /nfs/dbraw/zinc/88/37/95/430883795.db2.gz VPLRAMHVBLLZNM-WDSOQIARSA-N 2 0 301.478 2.581 20 0 DFADRP C[NH2+]CCCC(=O)N1CCC([NH2+]C(C2CCC2)C2CCC2)CC1 ZINC000665289059 430886108 /nfs/dbraw/zinc/88/61/08/430886108.db2.gz FGLJGLXLURAYPE-UHFFFAOYSA-N 2 0 321.509 2.535 20 0 DFADRP OC(C[NH+]1CC[C@@H](C2CCC2)C1)C[N@@H+]1CC[C@@H](C2CCC2)C1 ZINC000665288046 430887342 /nfs/dbraw/zinc/88/73/42/430887342.db2.gz BGMNQRDPDOMEGI-QZTJIDSGSA-N 2 0 306.494 2.591 20 0 DFADRP C[C@H]([NH2+]Cc1nc(C[NH3+])cc(=O)[nH]1)[C@@H](C)c1ccc(Cl)cc1 ZINC000665292485 430888473 /nfs/dbraw/zinc/88/84/73/430888473.db2.gz AVJWMGKCAKMCAG-MNOVXSKESA-N 2 0 320.824 2.576 20 0 DFADRP C[NH2+]C[C@H](C)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H]2CCC[C@H]21 ZINC000665298663 430888498 /nfs/dbraw/zinc/88/84/98/430888498.db2.gz ZRDWAWGDPJJVEF-GDAAHCPNSA-N 2 0 301.478 2.627 20 0 DFADRP C[C@@H]1CN(C2CC2)C[C@H]1[NH2+]C[C@@H]1C[C@H](c2ccccc2)CO1 ZINC000658209272 430841902 /nfs/dbraw/zinc/84/19/02/430841902.db2.gz ZOKXOEJOJKIYKV-TWKWOARYSA-N 2 0 300.446 2.631 20 0 DFADRP C[NH2+]C[C@H](C)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@H]2CCC[C@H]21 ZINC000665298665 430888651 /nfs/dbraw/zinc/88/86/51/430888651.db2.gz ZRDWAWGDPJJVEF-KANFNMMFSA-N 2 0 301.478 2.627 20 0 DFADRP C[C@@H]1CN(C2CC2)C[C@@H]1[NH2+]C[C@@H]1C[C@H](c2ccccc2)CO1 ZINC000658209273 430843670 /nfs/dbraw/zinc/84/36/70/430843670.db2.gz ZOKXOEJOJKIYKV-XIVBQZFQSA-N 2 0 300.446 2.631 20 0 DFADRP Cc1ccc(NC(=O)N[C@@H](C)CN(C)CCC[NH+](C)C)c(F)c1 ZINC000665172701 430844035 /nfs/dbraw/zinc/84/40/35/430844035.db2.gz LQZMDSVWKMNAMX-AWEZNQCLSA-N 2 0 324.444 2.528 20 0 DFADRP c1cn2c(n1)[C@@H]([NH2+][C@@H]1CC[C@H]3C[NH2+]C[C@@H]3C1)CCc1ccccc1-2 ZINC000665299422 430890860 /nfs/dbraw/zinc/89/08/60/430890860.db2.gz MSFNHGPDZZJGTE-FJIDUMEYSA-N 2 0 322.456 2.837 20 0 DFADRP c1csc(CCC[NH2+]Cc2cc(C3CC[NH2+]CC3)no2)c1 ZINC000645076644 430897291 /nfs/dbraw/zinc/89/72/91/430897291.db2.gz GDGSJEXDJFSJHX-UHFFFAOYSA-N 2 0 305.447 2.926 20 0 DFADRP CC(C)C[N@H+](C)CCC[NH2+]C1CCN(Cc2ccncc2)CC1 ZINC000651866029 430899520 /nfs/dbraw/zinc/89/95/20/430899520.db2.gz QXLGOAHENOTWKB-UHFFFAOYSA-N 2 0 318.509 2.614 20 0 DFADRP CC[N@H+](CCC[NH2+]C1CCN(C(C)=O)CC1)C1CCCCC1 ZINC000651910298 430912232 /nfs/dbraw/zinc/91/22/32/430912232.db2.gz ODSJMLWHAWAKIH-UHFFFAOYSA-N 2 0 309.498 2.632 20 0 DFADRP Cc1cc(Cl)cc(C[NH2+][C@H]2CCN(C3CC[NH+](C)CC3)C2)c1 ZINC000645155138 430917888 /nfs/dbraw/zinc/91/78/88/430917888.db2.gz FOOPVAKFXAWXBH-KRWDZBQOSA-N 2 0 321.896 2.907 20 0 DFADRP C[C@@H]1CCC[C@@H]([NH+]2CCC([NH2+]CC[C@]3(O)CCCOC3)CC2)C1 ZINC000652045553 430944958 /nfs/dbraw/zinc/94/49/58/430944958.db2.gz BDBLQBIUEYGERS-BHIYHBOVSA-N 2 0 324.509 2.551 20 0 DFADRP CC(C)[C@H](C(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@H]12)[NH+]1CCCCC1 ZINC000655348567 430971074 /nfs/dbraw/zinc/97/10/74/430971074.db2.gz BZJOXLHHELASOX-KZNAEPCWSA-N 2 0 321.509 2.630 20 0 DFADRP O[C@H]1CC[N@@H+](C2CC[NH+]([C@@H]3CCCc4ccccc43)CC2)C1 ZINC000662156013 430984467 /nfs/dbraw/zinc/98/44/67/430984467.db2.gz KCYAKKIFZATSAX-PKOBYXMFSA-N 2 0 300.446 2.595 20 0 DFADRP CC[NH+](CC)[C@H](C)CNC(=O)C(C)(C)[C@@H]([NH3+])c1ccccc1 ZINC000645472848 431011914 /nfs/dbraw/zinc/01/19/14/431011914.db2.gz MBAFQJOFUPVCHZ-ZBFHGGJFSA-N 2 0 305.466 2.559 20 0 DFADRP c1ccc([C@@H]2C[N@H+](Cc3cccc4c3CC[NH2+]C4)CCO2)cc1 ZINC000662249469 431011976 /nfs/dbraw/zinc/01/19/76/431011976.db2.gz UPVLNEGSFDUDIR-FQEVSTJZSA-N 2 0 308.425 2.906 20 0 DFADRP C[C@H]([NH2+][C@@H]1CCO[C@H](c2ccncc2)C1)C1CC[NH+](C)CC1 ZINC000652278315 431009580 /nfs/dbraw/zinc/00/95/80/431009580.db2.gz KPXNLVOHLMVAPQ-QGTPRVQTSA-N 2 0 303.450 2.622 20 0 DFADRP CC(C)[C@H]([NH3+])CC(=O)Nc1cccc(C[NH+]2CCCCC2)c1 ZINC000645467100 431009945 /nfs/dbraw/zinc/00/99/45/431009945.db2.gz VWQFNSQSIZZSBO-QGZVFWFLSA-N 2 0 303.450 2.984 20 0 DFADRP CCCN(C(=O)[C@@H]1CC[NH+](C2CCCCC2)C1)[C@@H]1CC[N@H+](C)C1 ZINC000648998208 430963156 /nfs/dbraw/zinc/96/31/56/430963156.db2.gz GVXMHIILXPPHDB-SJLPKXTDSA-N 2 0 321.509 2.584 20 0 DFADRP C[C@@H]1C[C@H]([NH2+]CCc2ccc3c(c2)OC(F)(F)O3)CC[N@@H+]1C ZINC000652315501 431020224 /nfs/dbraw/zinc/02/02/24/431020224.db2.gz WRQCQKNTIDEZAD-DGCLKSJQSA-N 2 0 312.360 2.623 20 0 DFADRP COc1ccc(-c2cc(C[N@@H+]3C[C@@H](C[NH3+])C[C@H]3C)on2)cc1 ZINC000662265580 431021856 /nfs/dbraw/zinc/02/18/56/431021856.db2.gz RLOPNJHADIBNCK-CHWSQXEVSA-N 2 0 301.390 2.519 20 0 DFADRP Cc1cnn(CC2CC[NH+](Cc3cccc4c3CC[NH2+]C4)CC2)c1 ZINC000662262407 431022377 /nfs/dbraw/zinc/02/23/77/431022377.db2.gz FBIDUNZWGCKWIN-UHFFFAOYSA-N 2 0 324.472 2.749 20 0 DFADRP Cn1ccnc1C[N@H+](CCCC1CCC1)[C@@H]1CC12CC[NH2+]CC2 ZINC000662269549 431023986 /nfs/dbraw/zinc/02/39/86/431023986.db2.gz GLQMPAZHQPELSU-QGZVFWFLSA-N 2 0 316.493 2.945 20 0 DFADRP Cc1cccc(OCC[N@@H+]2CCC[C@H]([C@@H]3C[C@H]([NH3+])CCO3)C2)c1 ZINC000652345483 431024603 /nfs/dbraw/zinc/02/46/03/431024603.db2.gz CLIYEDXFFOQLRO-SCTDSRPQSA-N 2 0 318.461 2.592 20 0 DFADRP [NH3+]CCC[C@@H](NC(=O)C[C@H]1[NH2+]Cc2ccccc21)c1ccccc1 ZINC000659322999 431025896 /nfs/dbraw/zinc/02/58/96/431025896.db2.gz UKEYYVXEHWVEPD-RTBURBONSA-N 2 0 323.440 2.817 20 0 DFADRP Cc1ccc(C)c(NC(=O)[C@@H](C)N2C[C@@H]3CCC[C@]3(C[NH3+])C2)c1 ZINC000652350997 431028526 /nfs/dbraw/zinc/02/85/26/431028526.db2.gz CPVBYHQMENTNGW-GJYPPUQNSA-N 2 0 315.461 2.691 20 0 DFADRP Cc1ccc(C)c([C@H]2CCC[N@@H+]2C[C@@H]2CCC3(C[NH2+]C3)O2)c1 ZINC000662278255 431030611 /nfs/dbraw/zinc/03/06/11/431030611.db2.gz DBBGCMSOVIKQJM-FUHWJXTLSA-N 2 0 300.446 2.961 20 0 DFADRP CCO[C@@H]1C[N@H+](CCSc2ccc(Cl)cc2)C[C@H]1C[NH3+] ZINC000652356880 431030777 /nfs/dbraw/zinc/03/07/77/431030777.db2.gz MTVJTFSZJHQYGU-IUODEOHRSA-N 2 0 314.882 2.728 20 0 DFADRP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCC[N@@H+]2CCOc2ccccc2F)C1 ZINC000652360378 431032192 /nfs/dbraw/zinc/03/21/92/431032192.db2.gz GHQGYXWWULHCAT-UWWQBHOKSA-N 2 0 322.424 2.565 20 0 DFADRP C[C@@H]1CCCC[C@@H]1OCC[N@@H+]1CCCC[C@@H]1[C@@H]1C[C@H]([NH3+])CCO1 ZINC000652361833 431032613 /nfs/dbraw/zinc/03/26/13/431032613.db2.gz QKFBLLGUMGBGLF-QQXKLLMISA-N 2 0 324.509 2.943 20 0 DFADRP CC[C@@H]([NH2+]C)C(=O)NCc1ccccc1C[N@@H+]1CCCC[C@H]1C ZINC000662387111 431069472 /nfs/dbraw/zinc/06/94/72/431069472.db2.gz BMSBYCHXMWTHIU-CRAIPNDOSA-N 2 0 317.477 2.675 20 0 DFADRP COc1ccc(CC[N@@H+]2CCCC[C@@H]2[C@H]2C[C@H]([NH3+])CCO2)cc1 ZINC000652360975 431032973 /nfs/dbraw/zinc/03/29/73/431032973.db2.gz VMNXNIQTDFXSSP-BHIYHBOVSA-N 2 0 318.461 2.599 20 0 DFADRP COc1ccc(CC[N@@H+]2CCCC[C@@H]2[C@@H]2C[C@H]([NH3+])CCO2)cc1 ZINC000652360976 431033592 /nfs/dbraw/zinc/03/35/92/431033592.db2.gz VMNXNIQTDFXSSP-QRQLOZEOSA-N 2 0 318.461 2.599 20 0 DFADRP Cc1cccc2nc(C[N@@H+]3CCC[C@@H](C4CC[NH2+]CC4)C3)cn21 ZINC000662292700 431034364 /nfs/dbraw/zinc/03/43/64/431034364.db2.gz HTEIRLVSKWDFNG-QGZVFWFLSA-N 2 0 312.461 2.854 20 0 DFADRP CC(C)C[C@@H](C)N(C)C(=O)C[NH+]1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000662290999 431034707 /nfs/dbraw/zinc/03/47/07/431034707.db2.gz AZKZOQAJOYNIOB-SJLPKXTDSA-N 2 0 323.525 2.591 20 0 DFADRP Fc1ccccc1OCC[NH+]1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000662290255 431034773 /nfs/dbraw/zinc/03/47/73/431034773.db2.gz OCEIPGHMXNHPFY-INIZCTEOSA-N 2 0 306.425 2.916 20 0 DFADRP CC(=O)Nc1cccc(C[NH+]2CCC([C@H]3CCC[NH2+]C3)CC2)c1 ZINC000662294971 431035050 /nfs/dbraw/zinc/03/50/50/431035050.db2.gz XQNSCOVNTAEAPP-SFHVURJKSA-N 2 0 315.461 2.857 20 0 DFADRP CO[C@H](C[N@@H+]1CCCC[C@@H]1[C@H]1C[C@@H]([NH3+])CCO1)C1CCCC1 ZINC000662284993 431035291 /nfs/dbraw/zinc/03/52/91/431035291.db2.gz TUUCHCLRLFSGIG-BSDSXHPESA-N 2 0 310.482 2.552 20 0 DFADRP [NH3+][C@@H](Cc1ccccc1)[C@@H](O)C[N@@H+]1CCC[C@@H](c2ccccc2)C1 ZINC000662285042 431035616 /nfs/dbraw/zinc/03/56/16/431035616.db2.gz VENZOXFJGCEQJK-HKBOAZHASA-N 2 0 324.468 2.797 20 0 DFADRP COc1ccccc1OCC[N@@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662296481 431038067 /nfs/dbraw/zinc/03/80/67/431038067.db2.gz KZKUEMLBRPGQNV-QGZVFWFLSA-N 2 0 318.461 2.786 20 0 DFADRP Cn1cc(C[C@H]2CCC[C@@H]2[NH2+]Cc2ccc3c(c2)C[NH2+]CC3)cn1 ZINC000662311554 431041445 /nfs/dbraw/zinc/04/14/45/431041445.db2.gz UKHNTQREGGDIQO-QUCCMNQESA-N 2 0 324.472 2.567 20 0 DFADRP Fc1ccccc1C[N@H+](CC1CC1)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662310255 431041822 /nfs/dbraw/zinc/04/18/22/431041822.db2.gz IYJMJPMSCOUUEV-MRXNPFEDSA-N 2 0 304.409 2.559 20 0 DFADRP C[C@@H]1CCC[N@H+](CC(=O)NCC2CCCCC2)[C@@H]1CCC[NH3+] ZINC000662313439 431043550 /nfs/dbraw/zinc/04/35/50/431043550.db2.gz OFVJMCYEVSNLEL-NVXWUHKLSA-N 2 0 309.498 2.522 20 0 DFADRP C[C@@H]1CCC[N@H+](CC(=O)N(C)[C@H]2CCCC[C@H]2C)[C@@H]1CCC[NH3+] ZINC000662313587 431043971 /nfs/dbraw/zinc/04/39/71/431043971.db2.gz IZZSBBIRSBHGKF-ZJPYXAASSA-N 2 0 323.525 2.863 20 0 DFADRP CCO[C@H](C)c1noc(C[N@@H+]2CCC[C@@H](C)[C@H]2CCC[NH3+])n1 ZINC000662313759 431044430 /nfs/dbraw/zinc/04/44/30/431044430.db2.gz LWLWRTWYJJUBOU-MGPQQGTHSA-N 2 0 310.442 2.507 20 0 DFADRP C[C@H](NC(=O)C[N@@H+]1CCC[C@@H](C)[C@H]1CCC[NH3+])c1cccs1 ZINC000662315854 431044504 /nfs/dbraw/zinc/04/45/04/431044504.db2.gz UFKUETCNSFUISW-QLFBSQMISA-N 2 0 323.506 2.765 20 0 DFADRP CCc1ccc(CC[N@@H+]2CCO[C@@H](CCC[NH+](C)C)C2)cc1 ZINC000662322666 431046109 /nfs/dbraw/zinc/04/61/09/431046109.db2.gz WSEMLHLSUFGVCG-IBGZPJMESA-N 2 0 304.478 2.834 20 0 DFADRP C[NH+](C)CCC[C@H]1C[N@H+](CCCCOC(C)(C)C)CCO1 ZINC000662322824 431047559 /nfs/dbraw/zinc/04/75/59/431047559.db2.gz ITNIMUQEVRTOJN-INIZCTEOSA-N 2 0 300.487 2.624 20 0 DFADRP C[NH+](C)C[C@@H](NC(=O)C[C@H]1[NH2+]Cc2ccccc21)c1ccccc1 ZINC000662356153 431057976 /nfs/dbraw/zinc/05/79/76/431057976.db2.gz NCHXPQHCRGYXOS-RTBURBONSA-N 2 0 323.440 2.640 20 0 DFADRP CC(C)([NH3+])CCC(=O)N1CCC[N@H+](CC2CCCCC2)CC1 ZINC000649303149 431061451 /nfs/dbraw/zinc/06/14/51/431061451.db2.gz CWYHLPANQUBZTA-UHFFFAOYSA-N 2 0 309.498 2.619 20 0 DFADRP CC(C)[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]([NH3+])c2cccc(Cl)c2)C1 ZINC000649310369 431063251 /nfs/dbraw/zinc/06/32/51/431063251.db2.gz AFFYTMDSSKYXFP-BBRMVZONSA-N 2 0 323.868 2.576 20 0 DFADRP C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)CCC(C)(C)[NH3+])CC1 ZINC000649323659 431067641 /nfs/dbraw/zinc/06/76/41/431067641.db2.gz MUVAPSMATBICOO-OAHLLOKOSA-N 2 0 317.477 2.846 20 0 DFADRP COc1ccc(-c2cc(C[NH+]3CCC([C@H](C)[NH3+])CC3)on2)cc1 ZINC000662245569 431014051 /nfs/dbraw/zinc/01/40/51/431014051.db2.gz KWLFHVNHJORTSS-ZDUSSCGKSA-N 2 0 315.417 2.909 20 0 DFADRP C[N@@H+](Cc1cc(Cl)cc(Cl)c1)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662252173 431015537 /nfs/dbraw/zinc/01/55/37/431015537.db2.gz LOGJARHYMCFYOU-CQSZACIVSA-N 2 0 315.244 2.946 20 0 DFADRP CCC[N@H+](C[C@@H]1CCC2(C[NH2+]C2)O1)[C@@H]1CCc2ccccc21 ZINC000662252261 431016518 /nfs/dbraw/zinc/01/65/18/431016518.db2.gz NFVSEMOGRPQWBL-FUHWJXTLSA-N 2 0 300.446 2.907 20 0 DFADRP Clc1ccccc1[C@@H]1CCC[N@@H+]1C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662250277 431017237 /nfs/dbraw/zinc/01/72/37/431017237.db2.gz CZCORYSBBLBCOD-CJNGLKHVSA-N 2 0 306.837 2.998 20 0 DFADRP CC[C@@H](Cc1ccc(C)cc1)[N@H+](C)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662258324 431017627 /nfs/dbraw/zinc/01/76/27/431017627.db2.gz VSPYBNCKZHGAOQ-ZWKOTPCHSA-N 2 0 302.462 2.769 20 0 DFADRP Clc1ccc([C@H]2CC[N@H+](C[C@@H]3CCC4(C[NH2+]C4)O3)C2)cc1 ZINC000662256610 431018226 /nfs/dbraw/zinc/01/82/26/431018226.db2.gz WZPWUSSWDHGGOR-HOCLYGCPSA-N 2 0 306.837 2.650 20 0 DFADRP C[C@@H]([NH2+]CCC1(CO)CCC1)c1cccc(OCC[NH+](C)C)c1 ZINC000652310447 431018325 /nfs/dbraw/zinc/01/83/25/431018325.db2.gz HBWTWJBUVATOJB-MRXNPFEDSA-N 2 0 320.477 2.830 20 0 DFADRP Fc1ccc([C@@H]([NH2+]C[C@@H]2CCC3(C[NH2+]C3)O2)C2CCC2)cc1 ZINC000662259494 431018360 /nfs/dbraw/zinc/01/83/60/431018360.db2.gz YFZBWILPGNUAGH-IRXDYDNUSA-N 2 0 304.409 2.778 20 0 DFADRP Fc1ccc([C@@H]2CCCC[N@@H+]2C[C@@H]2CCC3(C[NH2+]C3)O2)cc1 ZINC000662257081 431018954 /nfs/dbraw/zinc/01/89/54/431018954.db2.gz MRBNDYYPSLQNNR-IRXDYDNUSA-N 2 0 304.409 2.874 20 0 DFADRP CC[C@H]([NH2+]C)C(=O)NCc1ccccc1C[NH+]1CCC(C)CC1 ZINC000662545040 431110587 /nfs/dbraw/zinc/11/05/87/431110587.db2.gz LBPSMMWZMZIUCL-SFHVURJKSA-N 2 0 317.477 2.533 20 0 DFADRP [NH3+]CCCN(Cc1ccccc1)C(=O)C[C@H]1[NH2+]Cc2ccccc21 ZINC000662558080 431116450 /nfs/dbraw/zinc/11/64/50/431116450.db2.gz AFEGNUCPZPNEHM-LJQANCHMSA-N 2 0 323.440 2.599 20 0 DFADRP CC(C)C[C@H](C[NH3+])CC(=O)NCC(C)(C)[N@@H+]1CCC[C@@H](C)C1 ZINC000662402449 431074203 /nfs/dbraw/zinc/07/42/03/431074203.db2.gz KGGOATLUQBTRAV-CVEARBPZSA-N 2 0 311.514 2.624 20 0 DFADRP CC[N@H+](C)Cc1cccc(CNC(=O)c2cccc3c2C[NH2+]C3)c1 ZINC000662406435 431074259 /nfs/dbraw/zinc/07/42/59/431074259.db2.gz ZAPFZQRAMQBPCW-UHFFFAOYSA-N 2 0 323.440 2.672 20 0 DFADRP CC[C@@H]([NH2+]C)C(=O)NCc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000662423276 431078374 /nfs/dbraw/zinc/07/83/74/431078374.db2.gz NGSLTEVUEYQQOT-GOSISDBHSA-N 2 0 317.477 2.677 20 0 DFADRP CCC[NH+](CCC)CCCC(=O)N[C@H]1CC[NH2+]C2(CCC2)C1 ZINC000649370575 431078819 /nfs/dbraw/zinc/07/88/19/431078819.db2.gz RYKJRSQTACAAIL-INIZCTEOSA-N 2 0 309.498 2.680 20 0 DFADRP CC(C)C[C@@H](C[NH+](C)C)NC(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC000362627141 278972546 /nfs/dbraw/zinc/97/25/46/278972546.db2.gz MLNDQCQBRCVMDZ-DLBZAZTESA-N 2 0 311.514 2.589 20 0 DFADRP Cc1csc(N2CC[N@@H+](CCCC3CC[NH2+]CC3)C[C@H]2C)n1 ZINC000649412591 431093093 /nfs/dbraw/zinc/09/30/93/431093093.db2.gz VAIPGFVXPJDJRP-OAHLLOKOSA-N 2 0 322.522 2.742 20 0 DFADRP Cc1noc(C)c1[C@H](C)NC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000655714634 431094804 /nfs/dbraw/zinc/09/48/04/431094804.db2.gz BLCICOAWNAUJNT-BLLLJJGKSA-N 2 0 307.438 2.585 20 0 DFADRP C[C@@H]([NH3+])c1ccc(C(=O)N2CCC[C@H](C3CC[NH2+]CC3)C2)cc1 ZINC000662593589 431125900 /nfs/dbraw/zinc/12/59/00/431125900.db2.gz JNVVVKRUWZXOHW-KDOFPFPSSA-N 2 0 315.461 2.558 20 0 DFADRP CCN(C(=O)C[NH2+]C(C)C)[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000662503820 431098617 /nfs/dbraw/zinc/09/86/17/431098617.db2.gz XWWBWKUZLATXOL-SJLPKXTDSA-N 2 0 317.477 2.668 20 0 DFADRP c1cn2c(n1)[C@@H]([NH2+]CC1CCN(c3cc[nH+]cc3)CC1)CCC2 ZINC000655724300 431100487 /nfs/dbraw/zinc/10/04/87/431100487.db2.gz UASCFBDSEUXBNO-KRWDZBQOSA-N 2 0 311.433 2.619 20 0 DFADRP Cc1cc(C[NH3+])cc(NC(=O)NCCC[N@@H+](C)CC(C)C)c1 ZINC000652612451 431100710 /nfs/dbraw/zinc/10/07/10/431100710.db2.gz SATMALMIZIMJHE-UHFFFAOYSA-N 2 0 306.454 2.553 20 0 DFADRP CC(C)(C)[N@@H+]1CC[C@H](CNC(=O)[C@@H]2CCCCCC[C@H]2[NH3+])C1 ZINC000662592428 431126038 /nfs/dbraw/zinc/12/60/38/431126038.db2.gz JNIGIMDLLGNMGJ-BZUAXINKSA-N 2 0 309.498 2.521 20 0 DFADRP c1c(C[NH2+]CCCCC[NH+]2CCCCC2)nn2c1CCCC2 ZINC000655737682 431108164 /nfs/dbraw/zinc/10/81/64/431108164.db2.gz QURWBGATKYLNAS-UHFFFAOYSA-N 2 0 304.482 2.965 20 0 DFADRP CC(C)c1nnc(CN(C)C[C@@H]2CCc3nccn3C2)s1 ZINC000649460685 431108508 /nfs/dbraw/zinc/10/85/08/431108508.db2.gz OTEJVDSDBAFEIZ-LBPRGKRZSA-N 2 0 305.451 2.552 20 0 DFADRP CC(C)N1CCCC[C@@H]1C[N@H+](C)C[C@@H]1CCn2ccnc2C1 ZINC000649501357 431127476 /nfs/dbraw/zinc/12/74/76/431127476.db2.gz HHBQOTZUBCEEFS-IAGOWNOFSA-N 2 0 304.482 2.640 20 0 DFADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+][C@H]1CCc2nc(C(C)(C)C)cn2C1 ZINC000360942390 288107732 /nfs/dbraw/zinc/10/77/32/288107732.db2.gz OWCQHUHOUHXSNJ-LVQVYYBASA-N 2 0 318.509 2.814 20 0 DFADRP CC[NH+](CC)Cc1ccc(CNC(=O)[C@H](C(C)C)[NH+](C)C)cc1 ZINC000106455139 279137150 /nfs/dbraw/zinc/13/71/50/279137150.db2.gz GWDCSJBJQZQLBI-SFHVURJKSA-N 2 0 319.493 2.731 20 0 DFADRP C[C@H](C(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)[N@H+](C)Cc1ccccc1 ZINC000359282676 279227284 /nfs/dbraw/zinc/22/72/84/279227284.db2.gz SVMWEHKUXGBFBS-CVEARBPZSA-N 2 0 319.493 2.599 20 0 DFADRP CCN1CC[NH+](CCCC[NH2+]C[C@@H]2C(C)=CCC[C@H]2C)CC1 ZINC000133992425 279356424 /nfs/dbraw/zinc/35/64/24/279356424.db2.gz RQOJAEWRLQIWLE-RTBURBONSA-N 2 0 307.526 2.986 20 0 DFADRP C[C@H](Cc1ccc(Br)cc1)[NH2+][C@@H]1CC[NH2+]C[C@@H]1C ZINC000261584739 279377203 /nfs/dbraw/zinc/37/72/03/279377203.db2.gz SOOWNLMSKUIZPI-YWPYICTPSA-N 2 0 311.267 2.968 20 0 DFADRP CCC[NH+](CCC)CCCNC(=O)c1cccc2c1CC[NH2+]C2 ZINC000662692475 431166107 /nfs/dbraw/zinc/16/61/07/431166107.db2.gz LFRLZVYGGTXWBB-UHFFFAOYSA-N 2 0 317.477 2.574 20 0 DFADRP C[NH+](C)[C@H]1C[C@@H](C[NH2+]Cc2ccc(Oc3cnccn3)cc2)C1 ZINC000655826559 431170915 /nfs/dbraw/zinc/17/09/15/431170915.db2.gz IOPDZMVVPJXQGI-IYBDPMFKSA-N 2 0 312.417 2.699 20 0 DFADRP CN1CCN(C(=O)C[C@H]2[NH2+]Cc3ccccc32)c2ccccc2C1 ZINC000662720261 431172400 /nfs/dbraw/zinc/17/24/00/431172400.db2.gz XPYPVNXREDOZND-GOSISDBHSA-N 2 0 321.424 2.700 20 0 DFADRP C[NH+]1CCC2(CC1)C[N@@H+]([C@@H]1CCCc3ccc(F)cc31)CCO2 ZINC000646105713 431187927 /nfs/dbraw/zinc/18/79/27/431187927.db2.gz DKZZSKHFXBFRHF-GOSISDBHSA-N 2 0 318.436 3.000 20 0 DFADRP Cc1ccc(C[N@H+]2CC[C@H](CN(C)C[C@H]3CCC[NH+]3C)C2)s1 ZINC000649603431 431190622 /nfs/dbraw/zinc/19/06/22/431190622.db2.gz MFQPPZYMSSJMJZ-IAGOWNOFSA-N 2 0 321.534 2.904 20 0 DFADRP CO[C@H](C[N@@H+]1CCC[C@H](C[NH+]2CCCC[C@@H]2C)C1)[C@@H]1CCOC1 ZINC000659928710 431191448 /nfs/dbraw/zinc/19/14/48/431191448.db2.gz LQMJBNKHUGAXMK-INDMIFKZSA-N 2 0 324.509 2.624 20 0 DFADRP C[C@@H]1CC[C@@H](C)[NH+]1[C@H]1CCCN(C(=O)C2([NH3+])CC3(CCC3)C2)C1 ZINC000662788612 431194336 /nfs/dbraw/zinc/19/43/36/431194336.db2.gz PDBBXZINXNPYAW-OAGGEKHMSA-N 2 0 319.493 2.512 20 0 DFADRP CC(C)C[C@H](C[NH3+])CC(=O)N(C)CC[N@H+](C)C1CCCCC1 ZINC000662787517 431195555 /nfs/dbraw/zinc/19/55/55/431195555.db2.gz BQKBGNSWRNYOPV-INIZCTEOSA-N 2 0 311.514 2.720 20 0 DFADRP C[C@H]([NH2+]C1CCC([NH+]2CCC(C)CC2)CC1)c1ccc(=O)[nH]n1 ZINC000365118663 279453676 /nfs/dbraw/zinc/45/36/76/279453676.db2.gz WGKNGEHBTFOTBS-FHERZECASA-N 2 0 318.465 2.876 20 0 DFADRP CCC[N@H+](CC)Cc1ccc(C(=O)NCC2([NH3+])CCCC2)cc1 ZINC000662652738 431151410 /nfs/dbraw/zinc/15/14/10/431151410.db2.gz OSERBCHUHNQEDO-UHFFFAOYSA-N 2 0 317.477 2.920 20 0 DFADRP O=C(C[C@@H]1[NH2+]Cc2ccccc21)NCCC[NH+]1CCCCCC1 ZINC000662664823 431154160 /nfs/dbraw/zinc/15/41/60/431154160.db2.gz HUGHJFULLWTLSZ-SFHVURJKSA-N 2 0 315.461 2.603 20 0 DFADRP Cc1ccccc1NC(=O)C[C@@H](C)[NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000655805353 431157555 /nfs/dbraw/zinc/15/75/55/431157555.db2.gz GMDLYEAKEJSEMN-OAGGEKHMSA-N 2 0 303.450 2.642 20 0 DFADRP C[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)CC1 ZINC000655805634 431158064 /nfs/dbraw/zinc/15/80/64/431158064.db2.gz JOULMQVMEBPIOO-ZAWLATJESA-N 3 0 307.526 2.959 20 0 DFADRP C[C@@H](CC(=O)N[C@@H]1CC[N@@H+](C2CCCCC2)C1)C1CC[NH2+]CC1 ZINC000662669457 431158164 /nfs/dbraw/zinc/15/81/64/431158164.db2.gz ZNFKQPAGONGTHO-DOTOQJQBSA-N 2 0 321.509 2.535 20 0 DFADRP C[NH+](C)[C@H]1C[C@@H](C[NH2+]C2CCN(Cc3ccccc3)CC2)C1 ZINC000655807569 431158284 /nfs/dbraw/zinc/15/82/84/431158284.db2.gz PTKIUUYJEDEBRC-IZAXUBKRSA-N 2 0 301.478 2.581 20 0 DFADRP CC(C)[NH+](CCCNC(=O)c1ccc2c(c1)C[NH2+]C2)C(C)C ZINC000646137190 431204826 /nfs/dbraw/zinc/20/48/26/431204826.db2.gz ZTVMGZFLPLGUCR-UHFFFAOYSA-N 2 0 303.450 2.529 20 0 DFADRP C[C@@H]1C[C@@H](C)C[NH+](CCN2CC[C@@H](C[NH+]3CCCCC3)C2)C1 ZINC000659957493 431209304 /nfs/dbraw/zinc/20/93/04/431209304.db2.gz TZWUHMNHXZMRPI-QRVBRYPASA-N 2 0 307.526 2.772 20 0 DFADRP C[NH2+]Cc1ccccc1NC(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000655907894 431214027 /nfs/dbraw/zinc/21/40/27/431214027.db2.gz PIEQXQZOWFSIAT-SJORKVTESA-N 2 0 316.449 2.544 20 0 DFADRP c1cnc2nc(C3CC[NH+](CC4CC[NH2+]CC4)CC3)ccc2c1 ZINC000655929160 431220041 /nfs/dbraw/zinc/22/00/41/431220041.db2.gz XWGXTEOUTACRNV-UHFFFAOYSA-N 2 0 310.445 2.809 20 0 DFADRP CC(C)[N@H+](C)C[C@H](O)C[NH+]1CC[C@H](Cc2ccccc2)[C@H]1C ZINC000659980828 431220778 /nfs/dbraw/zinc/22/07/78/431220778.db2.gz ZQYAZEDRTCLRCY-QRQLOZEOSA-N 2 0 304.478 2.641 20 0 DFADRP CO[C@](C)([C@H](C)[NH2+]Cc1ccc(OCC[NH+](C)C)cc1)C1CC1 ZINC000666418927 431221677 /nfs/dbraw/zinc/22/16/77/431221677.db2.gz ITBJROQMDFEWQC-HNAYVOBHSA-N 2 0 320.477 2.920 20 0 DFADRP Cc1sccc1C[N@@H+](C)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000646196918 431222762 /nfs/dbraw/zinc/22/27/62/431222762.db2.gz CXMYQEPLTXFFIS-KRWDZBQOSA-N 2 0 307.507 2.657 20 0 DFADRP CC[C@@H]1C[N@@H+]2CCCC[C@@H]2CN1C(=O)c1ccc([C@H](C)[NH3+])cc1 ZINC000646193911 431223892 /nfs/dbraw/zinc/22/38/92/431223892.db2.gz GWDDJNNQMXROLL-BMGDILEWSA-N 2 0 315.461 2.795 20 0 DFADRP CC[C@@H]1C[N@@H+]2CCCC[C@H]2CN1C(=O)CC1(C[NH3+])CCCCC1 ZINC000646193830 431224682 /nfs/dbraw/zinc/22/46/82/431224682.db2.gz BAWBGPHSAAZCLB-SJORKVTESA-N 2 0 321.509 2.761 20 0 DFADRP CO[C@@](C)([C@H](C)[NH2+]Cc1ccc(OCC[NH+](C)C)cc1)C1CC1 ZINC000666418928 431225295 /nfs/dbraw/zinc/22/52/95/431225295.db2.gz ITBJROQMDFEWQC-KXBFYZLASA-N 2 0 320.477 2.920 20 0 DFADRP CC(C)(CC[NH+]1CCC(n2ncc3c2C[NH2+]C3)CC1)C1CC1 ZINC000655940339 431226481 /nfs/dbraw/zinc/22/64/81/431226481.db2.gz RRRHWGXMOPYMFB-UHFFFAOYSA-N 2 0 302.466 2.950 20 0 DFADRP [NH3+][C@@H]1CCO[C@H]1C1CC[NH+](CCCc2c(F)cccc2F)CC1 ZINC000655941015 431226767 /nfs/dbraw/zinc/22/67/67/431226767.db2.gz KIGIGCSUOCGEHK-MSOLQXFVSA-N 2 0 324.415 2.726 20 0 DFADRP Cc1ccc(C[N@@H+]2C[C@@H](C[NH3+])C3(C2)CCOCC3)c(Cl)c1 ZINC000655940591 431227224 /nfs/dbraw/zinc/22/72/24/431227224.db2.gz CZZMCXBNPIGORL-OAHLLOKOSA-N 2 0 308.853 2.836 20 0 DFADRP C[N@H+](C[C@@H]1CC[C@@H]2C[C@@H]2C1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000660140651 431287362 /nfs/dbraw/zinc/28/73/62/431287362.db2.gz MTJYXBDHXJSTMN-VXNCWWDNSA-N 2 0 305.510 2.523 20 0 DFADRP CC(C)c1ccc2c(c1)[C@H](NC(=O)[C@@H](N)CC[NH+](C)C)CCC2 ZINC000653158771 431287349 /nfs/dbraw/zinc/28/73/49/431287349.db2.gz KTPKHGSHKOPYRW-ZWKOTPCHSA-N 2 0 317.477 2.583 20 0 DFADRP C[C@@H]1C[C@@H](C[NH+]2CCC(C(=O)c3ccc(O)cc3)CC2)CC[NH2+]1 ZINC000666617626 431300335 /nfs/dbraw/zinc/30/03/35/431300335.db2.gz HGKUMCFCCHSKES-CABCVRRESA-N 2 0 316.445 2.675 20 0 DFADRP C[N@H+](Cc1ccccc1)CC(C)(C)CN[C@@H](C[NH3+])C(F)(F)F ZINC000656196412 431303282 /nfs/dbraw/zinc/30/32/82/431303282.db2.gz RYDUBYMJUKHXFH-AWEZNQCLSA-N 2 0 317.399 2.624 20 0 DFADRP CC[N@H+](CCCNC(=O)[C@@H]1CC[NH2+][C@H]1C(C)C)C1CCCCC1 ZINC000653200516 431305433 /nfs/dbraw/zinc/30/54/33/431305433.db2.gz HAKFIMLOIHJTDC-MSOLQXFVSA-N 2 0 323.525 2.781 20 0 DFADRP Cc1cnc(C)nc1NCCc1nccn1Cc1ccccc1 ZINC000656106937 431262119 /nfs/dbraw/zinc/26/21/19/431262119.db2.gz AXRJCAZPBSXSLI-UHFFFAOYSA-N 2 0 307.401 2.993 20 0 DFADRP COc1cc(CN2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)sn1 ZINC000660114283 431275671 /nfs/dbraw/zinc/27/56/71/431275671.db2.gz GMJZULKXTOWTOF-DOMZBBRYSA-N 2 0 307.463 2.600 20 0 DFADRP C[NH2+]Cc1cccc(NCc2ccc(OCC[NH+](C)C)cc2)c1 ZINC000666811773 431367518 /nfs/dbraw/zinc/36/75/18/431367518.db2.gz LAJVJXMFAXTVDB-UHFFFAOYSA-N 2 0 313.445 2.959 20 0 DFADRP C[C@@H]([NH3+])CC(=O)Nc1ccc(SCC[NH+]2CCCC2)cc1 ZINC000653253151 431337041 /nfs/dbraw/zinc/33/70/41/431337041.db2.gz IQKDWNWWMRIQKB-CYBMUJFWSA-N 2 0 307.463 2.550 20 0 DFADRP C[NH+](C)CCN(C(=O)CC[C@H]([NH3+])CC1CCCCC1)C1CC1 ZINC000646542795 431337190 /nfs/dbraw/zinc/33/71/90/431337190.db2.gz WNEHGFBWHQTHSM-INIZCTEOSA-N 2 0 309.498 2.617 20 0 DFADRP COc1cc2[nH+]ccc(N3CCCC[C@H]3CC[NH3+])c2cc1OC ZINC000663239584 431337642 /nfs/dbraw/zinc/33/76/42/431337642.db2.gz MVPUOOUVEWNRBW-ZDUSSCGKSA-N 2 0 315.417 2.960 20 0 DFADRP Cc1cc(CN[C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)nc(C)n1 ZINC000660256672 431346370 /nfs/dbraw/zinc/34/63/70/431346370.db2.gz MVOUNKFZABBYFC-GOEBONIOSA-N 2 0 302.466 2.836 20 0 DFADRP [NH3+]Cc1cccc(NC(=O)[C@H]2CCC[N@H+](Cc3ccccc3)C2)c1 ZINC000646578857 431346553 /nfs/dbraw/zinc/34/65/53/431346553.db2.gz HJEFSUBXCWAYLL-SFHVURJKSA-N 2 0 323.440 2.996 20 0 DFADRP CN(CC[NH+]1CCCCC1)C(=O)C(C)(C)[C@@H]([NH3+])c1ccccc1 ZINC000653274382 431346603 /nfs/dbraw/zinc/34/66/03/431346603.db2.gz FBTYQKXBDVVBSY-KRWDZBQOSA-N 2 0 317.477 2.657 20 0 DFADRP CC[C@H](C)Oc1cc(C[NH2+]C[C@H]2CCC[NH2+]C2)ccc1OC ZINC000666763677 431348360 /nfs/dbraw/zinc/34/83/60/431348360.db2.gz PGCXEVRFMZXEFY-HOCLYGCPSA-N 2 0 306.450 2.962 20 0 DFADRP CC(C)(O)C[NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CC12CCC2 ZINC000663306972 431356249 /nfs/dbraw/zinc/35/62/49/431356249.db2.gz QAOIOAKMZWUCFQ-QGZVFWFLSA-N 2 0 302.462 2.649 20 0 DFADRP CC(C)c1cccc(C[NH2+]CCCN2CCC[N@H+](C)CC2)c1 ZINC000663316000 431361722 /nfs/dbraw/zinc/36/17/22/431361722.db2.gz RDPWEENAZBYXAD-UHFFFAOYSA-N 2 0 303.494 2.927 20 0 DFADRP FC(F)(F)Oc1cccc(C[NH2+][C@H]2CC23CC[NH2+]CC3)c1 ZINC000666951983 431422180 /nfs/dbraw/zinc/42/21/80/431422180.db2.gz AXGGGUAIGLJOLZ-ZDUSSCGKSA-N 2 0 300.324 2.817 20 0 DFADRP Cc1cccc(NC(=O)C[C@@H](C)[NH2+][C@H]2CC23CC[NH2+]CC3)c1C ZINC000666953914 431422258 /nfs/dbraw/zinc/42/22/58/431422258.db2.gz KYCNZMNCTAQTCF-PBHICJAKSA-N 2 0 315.461 2.752 20 0 DFADRP c1cn2c(C[NH2+][C@H]3CC34CC[NH2+]CC4)c(C3CC3)nc2s1 ZINC000666951985 431422808 /nfs/dbraw/zinc/42/28/08/431422808.db2.gz AYXIMJOJXDZUFW-ZDUSSCGKSA-N 2 0 302.447 2.505 20 0 DFADRP C[C@@H]1C[N@@H+](CCCC[NH2+][C@H]2CC(C)(C)OC2(C)C)C[C@H](C)O1 ZINC000246969172 288161295 /nfs/dbraw/zinc/16/12/95/288161295.db2.gz JIIXRNJXOTYWIX-XHSDSOJGSA-N 2 0 312.498 2.812 20 0 DFADRP C[C@@H]1C[NH+](CCCC[NH2+][C@H]2CC(C)(C)OC2(C)C)C[C@@H](C)O1 ZINC000246969155 288161336 /nfs/dbraw/zinc/16/13/36/288161336.db2.gz JIIXRNJXOTYWIX-OAGGEKHMSA-N 2 0 312.498 2.812 20 0 DFADRP CC(C)[N@@H+]1CCC[C@@H](C[NH2+]CCC(=O)N(C)c2ccccc2)C1 ZINC000663359909 431384991 /nfs/dbraw/zinc/38/49/91/431384991.db2.gz KUMZJHYEXHXWKV-KRWDZBQOSA-N 2 0 317.477 2.750 20 0 DFADRP Cc1nn2c(C[NH2+]C[C@H]3CCC[C@@H]([NH3+])C3)c(C(C)C)nc2s1 ZINC000666921130 431407214 /nfs/dbraw/zinc/40/72/14/431407214.db2.gz YQBRGCQFLNGMCK-QWHCGFSZSA-N 2 0 321.494 2.830 20 0 DFADRP C[N@H+](C[C@H]1CCn2ccnc2C1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000656504269 431412154 /nfs/dbraw/zinc/41/21/54/431412154.db2.gz RRYQCVKNIYEAMU-RBUKOAKNSA-N 2 0 324.472 2.652 20 0 DFADRP C[C@H](CC(=O)Nc1cccc(F)c1)[NH2+][C@@H]1CC[NH2+]C2(CCC2)C1 ZINC000666995341 431437756 /nfs/dbraw/zinc/43/77/56/431437756.db2.gz KJQQWQYSQHMKQZ-CZUORRHYSA-N 2 0 319.424 2.807 20 0 DFADRP COc1cccc2c1CC[C@@H]([NH2+][C@@H]1CC[NH2+]C3(CCC3)C1)C2 ZINC000666993755 431438513 /nfs/dbraw/zinc/43/85/13/431438513.db2.gz HGPQFLGTPAJTCJ-HZPDHXFCSA-N 2 0 300.446 2.817 20 0 DFADRP Cc1nn2c(C[NH2+]CC[C@@H]([NH3+])C(C)C)c(C(C)C)nc2s1 ZINC000663499427 431445422 /nfs/dbraw/zinc/44/54/22/431445422.db2.gz JYXAOYNOYWQWHH-GFCCVEGCSA-N 2 0 309.483 2.686 20 0 DFADRP CCO[C@@H]1C[C@@H]([NH2+]C2CC[NH+](CC(C)C)CC2)C12CCOCC2 ZINC000186233353 279812751 /nfs/dbraw/zinc/81/27/51/279812751.db2.gz PWEGHSWCIKMBMV-QZTJIDSGSA-N 2 0 324.509 2.671 20 0 DFADRP C[NH2+]CCCC(=O)N1CCC([NH2+][C@@H]2CCC[C@@H](C3CC3)C2)CC1 ZINC000663506120 431447461 /nfs/dbraw/zinc/44/74/61/431447461.db2.gz QCGCADBTNHDMOS-SJLPKXTDSA-N 2 0 321.509 2.535 20 0 DFADRP C[NH2+]CCCC(=O)N1CCC([NH2+]C2CCC(C(C)C)CC2)CC1 ZINC000663505163 431447886 /nfs/dbraw/zinc/44/78/86/431447886.db2.gz GEOSHTDOGABDHO-UHFFFAOYSA-N 2 0 323.525 2.781 20 0 DFADRP C[C@H]1C[N@H+](CCC(C)(C)C2CC2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000653594330 431450374 /nfs/dbraw/zinc/45/03/74/431450374.db2.gz MRARASAGNZFSGK-WMZOPIPTSA-N 2 0 307.526 2.771 20 0 DFADRP Cc1ccccc1-c1noc(C[N@H+]2CC[C@H](c3nccn3C)C2)n1 ZINC000653592070 431451076 /nfs/dbraw/zinc/45/10/76/431451076.db2.gz IETLOSQEOGNPSA-AWEZNQCLSA-N 2 0 323.400 2.768 20 0 DFADRP CC[N@H+](C)C[C@H](O)CNC1(c2ccc(F)cc2F)CCCC1 ZINC000653606467 431457347 /nfs/dbraw/zinc/45/73/47/431457347.db2.gz LUMQRGYZHKCVOC-CQSZACIVSA-N 2 0 312.404 2.636 20 0 DFADRP CC[NH+](CC)Cc1ccc(C(=O)N2[C@H](C)CN(C)[C@H](C)[C@H]2C)o1 ZINC000650150336 431458683 /nfs/dbraw/zinc/45/86/83/431458683.db2.gz SYMZSZWNUGAIJZ-RBSFLKMASA-N 2 0 321.465 2.675 20 0 DFADRP C[N@@H+]1CC[C@@H]2OCCN(C[C@@H]3CC[C@@H](c4ccccc4)C3)[C@H]2C1 ZINC000660509126 431465461 /nfs/dbraw/zinc/46/54/61/431465461.db2.gz WWVONDOXOGZWTF-LMCOJAPRSA-N 2 0 314.473 2.975 20 0 DFADRP C[NH+](C)Cc1ccc(-c2noc(C3CCC([NH3+])CC3)n2)cc1 ZINC000647121344 431466204 /nfs/dbraw/zinc/46/62/04/431466204.db2.gz LOIRPWZUPDTFQN-UHFFFAOYSA-N 2 0 300.406 2.783 20 0 DFADRP C[NH+](C)Cc1ccc(-c2noc([C@H]3CCC[C@@H]3C[NH3+])n2)cc1 ZINC000647121380 431466906 /nfs/dbraw/zinc/46/69/06/431466906.db2.gz WTHMLROTMGBIIL-CABCVRRESA-N 2 0 300.406 2.641 20 0 DFADRP C[N@@H+]1CC[C@H]2OCCN(C[C@@H]3CC[C@@H](c4ccccc4)C3)[C@@H]2C1 ZINC000660509128 431467340 /nfs/dbraw/zinc/46/73/40/431467340.db2.gz WWVONDOXOGZWTF-VBSBHUPXSA-N 2 0 314.473 2.975 20 0 DFADRP CO[C@H](C[N@@H+]1CC[C@@H](CN(C)Cc2cccnc2)C1)C1CCC1 ZINC000660435782 431428171 /nfs/dbraw/zinc/42/81/71/431428171.db2.gz QNJOJIJXLOMQED-PKOBYXMFSA-N 2 0 317.477 2.650 20 0 DFADRP CC(C)(C[NH2+]C1CCC([NH+]2CCNCC2)CC1)c1ccccc1 ZINC000666978573 431431860 /nfs/dbraw/zinc/43/18/60/431431860.db2.gz SIZZHBZSLBHJLW-UHFFFAOYSA-N 2 0 315.505 2.770 20 0 DFADRP COc1cnccc1[C@H](C)[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000656570379 431433204 /nfs/dbraw/zinc/43/32/04/431433204.db2.gz LSFPSOOMJZXWSZ-AWEZNQCLSA-N 2 0 312.417 2.805 20 0 DFADRP CC[NH+](CC)Cc1ccc(C(=O)Nc2ccc(C[NH3+])cc2)o1 ZINC000646975346 431433467 /nfs/dbraw/zinc/43/34/67/431433467.db2.gz PROKFCNDJVYWEY-UHFFFAOYSA-N 2 0 301.390 2.832 20 0 DFADRP CC(C)(C)[NH+]1CCC(NC[C@H]2CCC[N@H+](CC3CC3)C2)CC1 ZINC000663470569 431436388 /nfs/dbraw/zinc/43/63/88/431436388.db2.gz VEVNKESTHQXJQE-QGZVFWFLSA-N 2 0 307.526 2.961 20 0 DFADRP COc1ccc2c(c1)C[C@@H]([NH2+][C@H]1CC[NH2+]C3(CCC3)C1)CC2 ZINC000666995333 431437157 /nfs/dbraw/zinc/43/71/57/431437157.db2.gz KHVIHVIVRVXKEP-IRXDYDNUSA-N 2 0 300.446 2.817 20 0 DFADRP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCN(c3cc[nH+]c4ccccc43)C2)C1 ZINC000650298801 431517403 /nfs/dbraw/zinc/51/74/03/431517403.db2.gz ZQDRPOVFGIFQIJ-KHYOSLBOSA-N 2 0 311.429 2.958 20 0 DFADRP COCc1cnc(C[N@@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)s1 ZINC000656783683 431519238 /nfs/dbraw/zinc/51/92/38/431519238.db2.gz UGGGSUHSFQLOJU-CQSZACIVSA-N 2 0 309.479 2.501 20 0 DFADRP C(c1nc2c(s1)CCC2)[N@@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000656783875 431520984 /nfs/dbraw/zinc/52/09/84/431520984.db2.gz VRTRJIXHHWVAIE-AWEZNQCLSA-N 2 0 305.491 2.843 20 0 DFADRP Cn1c2ccccc2nc1C[NH+]1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000656786202 431522279 /nfs/dbraw/zinc/52/22/79/431522279.db2.gz POTMJRHLOSSWBI-MRXNPFEDSA-N 2 0 312.461 2.785 20 0 DFADRP CC(=O)Nc1ccc(C[N@@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)cc1 ZINC000656786444 431522381 /nfs/dbraw/zinc/52/23/81/431522381.db2.gz SQCODFOYNLFPPR-SFHVURJKSA-N 2 0 315.461 2.857 20 0 DFADRP CCN1CCC[C@H]1C[NH2+]Cc1cn(C)nc1-c1ccc(C)o1 ZINC000647167747 431489687 /nfs/dbraw/zinc/48/96/87/431489687.db2.gz RENPFBFVZGWOCZ-HNNXBMFYSA-N 2 0 302.422 2.562 20 0 DFADRP C[NH+]1CCN(c2ccc(C[NH2+]C3CCC(F)(F)CC3)cn2)CC1 ZINC000647170886 431493332 /nfs/dbraw/zinc/49/33/32/431493332.db2.gz RZLUUUJALZSBTL-UHFFFAOYSA-N 2 0 324.419 2.501 20 0 DFADRP CC[N@@H+]1CCC[C@@H](C[NH2+]Cc2cn(C)nc2-c2ccc(C)o2)C1 ZINC000647177182 431495467 /nfs/dbraw/zinc/49/54/67/431495467.db2.gz OUXJTHFFYNVXFQ-HNNXBMFYSA-N 2 0 316.449 2.810 20 0 DFADRP Cc1ccc(-c2nn(C)cc2C[NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)o1 ZINC000647186455 431501662 /nfs/dbraw/zinc/50/16/62/431501662.db2.gz MWJQAYGBRINSQV-SWLSCSKDSA-N 2 0 302.422 2.561 20 0 DFADRP CN(CCC[N@@H+]1CCC[C@]2(CC[NH+](C)C2)C1)c1ccccc1 ZINC000660664743 431538442 /nfs/dbraw/zinc/53/84/42/431538442.db2.gz RYUIVEFRFFOGMF-LJQANCHMSA-N 2 0 301.478 2.931 20 0 DFADRP CN(CCC[N@@H+]1CCC[C@@]2(CC[NH+](C)C2)C1)c1ccccc1 ZINC000660664742 431539636 /nfs/dbraw/zinc/53/96/36/431539636.db2.gz RYUIVEFRFFOGMF-IBGZPJMESA-N 2 0 301.478 2.931 20 0 DFADRP CC(C)C[C@@H]([NH2+]CCCC[N@@H+]1CCC[C@@H]1CO)c1ccncc1 ZINC000647288455 431540488 /nfs/dbraw/zinc/54/04/88/431540488.db2.gz DYWGLIDTXBVWNP-RTBURBONSA-N 2 0 319.493 2.995 20 0 DFADRP C[N@@H+]1CC[C@]2(C1)CCCN([C@H]1CC[NH+](Cc3ccccc3)C1)C2 ZINC000660664168 431540625 /nfs/dbraw/zinc/54/06/25/431540625.db2.gz QIGDAGXZVINDMJ-PMACEKPBSA-N 2 0 313.489 2.679 20 0 DFADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]C[C@H]1CSc2ccccc2O1 ZINC000647314070 431546926 /nfs/dbraw/zinc/54/69/26/431546926.db2.gz MIPRQUQGLSCNGW-APIJFGDWSA-N 2 0 306.475 2.858 20 0 DFADRP c1cncc([C@H]2C[C@H]([NH2+]C3CC[NH+](CC4CC4)CC3)CCO2)c1 ZINC000647339311 431555530 /nfs/dbraw/zinc/55/55/30/431555530.db2.gz PBPLURWKJGRRPX-RTBURBONSA-N 2 0 315.461 2.766 20 0 DFADRP C[C@@H]1C[N@H+](C[C@H]2CCCC[C@H]2C)CC[C@H]1N1CC[NH+](C)CC1 ZINC000374966715 288200812 /nfs/dbraw/zinc/20/08/12/288200812.db2.gz XLGXKYGJXFGLFU-NCXUSEDFSA-N 2 0 307.526 2.771 20 0 DFADRP C[C@]1(c2ccccc2)CC[C@@H]([NH2+]C[C@H](O)C[NH+]2CCCC2)C1 ZINC000275903170 280173640 /nfs/dbraw/zinc/17/36/40/280173640.db2.gz SSGMSUKVBYCYPQ-QYZOEREBSA-N 2 0 302.462 2.543 20 0 DFADRP O=C1C[C@@H]([NH2+]C2CC[NH+](C3CCCCC3)CC2)[C@@H]2CCCCN12 ZINC000374516703 280268854 /nfs/dbraw/zinc/26/88/54/280268854.db2.gz ZLLZVOWTUOCFHP-MSOLQXFVSA-N 2 0 319.493 2.527 20 0 DFADRP CC[C@@H]1CC[C@@H](C)[N@@H+]1CC(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000355060025 280324742 /nfs/dbraw/zinc/32/47/42/280324742.db2.gz UMWZWVUTPWMRIL-KBAYOESNSA-N 2 0 317.477 2.668 20 0 DFADRP CN1CCCC[C@@H]1C(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C ZINC000653937878 431592166 /nfs/dbraw/zinc/59/21/66/431592166.db2.gz JNYBVHHIISSLSJ-IAGOWNOFSA-N 2 0 301.434 2.658 20 0 DFADRP CC1(C)CC(NCc2ccnn2-c2cc[nH+]cc2)CC(C)(C)[NH2+]1 ZINC000657292357 431652198 /nfs/dbraw/zinc/65/21/98/431652198.db2.gz IPHLPEXHSMTSLY-UHFFFAOYSA-N 2 0 313.449 2.666 20 0 DFADRP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCC[N@H+](Cc3cc(F)ccc3F)C2)C1 ZINC000650706629 431654356 /nfs/dbraw/zinc/65/43/56/431654356.db2.gz OSCJVWXTBRYCTR-SRCQZFHVSA-N 2 0 310.388 2.683 20 0 DFADRP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCC[N@H+](C/C=C/c3ccccc3)C2)C1 ZINC000650706573 431654697 /nfs/dbraw/zinc/65/46/97/431654697.db2.gz NPGSOTCCIONIQN-MEDPVDCCSA-N 2 0 300.446 2.918 20 0 DFADRP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCC[N@H+](Cc3cccc4c3CCC4)C2)C1 ZINC000650708921 431655996 /nfs/dbraw/zinc/65/59/96/431655996.db2.gz VNBRNDVDSILXMW-NLWGTHIKSA-N 2 0 314.473 2.894 20 0 DFADRP c1nn2c(c1C[NH2+]Cc1ccc(C[NH+]3CCCC3)cc1)CCC2 ZINC000657296163 431656118 /nfs/dbraw/zinc/65/61/18/431656118.db2.gz BRRIAOMBODOYMS-UHFFFAOYSA-N 2 0 310.445 2.715 20 0 DFADRP CCN(CC)c1ncc(C[N@@H+]2CCC[C@@H](C)[C@H]2CC[NH3+])s1 ZINC000650711358 431656706 /nfs/dbraw/zinc/65/67/06/431656706.db2.gz QVEJMNDVOHXAAK-UKRRQHHQSA-N 2 0 310.511 2.939 20 0 DFADRP CC(C)n1ncc2cc(C[N@@H+]3CCC[C@H](C)[C@@H]3CC[NH3+])cnc21 ZINC000650710979 431657164 /nfs/dbraw/zinc/65/71/64/431657164.db2.gz DWOPDHQEHVIEHM-YOEHRIQHSA-N 2 0 315.465 2.962 20 0 DFADRP Cc1ccc(F)cc1C[N@@H+]1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000650708378 431657632 /nfs/dbraw/zinc/65/76/32/431657632.db2.gz YVLJAXUVBKGGDA-WBAXXEDZSA-N 2 0 306.425 2.852 20 0 DFADRP CC(C)c1cnc(C[N@@H+]2CCC[C@H]([C@@H]3C[C@@H]([NH3+])CCO3)C2)s1 ZINC000650708432 431658219 /nfs/dbraw/zinc/65/82/19/431658219.db2.gz ZLJPRUSDMOOZSK-KKUMJFAQSA-N 2 0 323.506 2.985 20 0 DFADRP CCOc1cc(C[NH2+]CCC2(C[NH3+])CC2)ccc1OC(F)F ZINC000650711951 431659168 /nfs/dbraw/zinc/65/91/68/431659168.db2.gz KSWCXUBXPNUBTF-UHFFFAOYSA-N 2 0 314.376 2.905 20 0 DFADRP [NH3+]CC1(CC[NH2+]Cc2cc(F)ccc2Br)CC1 ZINC000650712464 431660218 /nfs/dbraw/zinc/66/02/18/431660218.db2.gz DZDMKSVPPQWXQA-UHFFFAOYSA-N 2 0 301.203 2.807 20 0 DFADRP C[NH2+]Cc1ccccc1C[NH2+]Cc1ccc(-n2cncn2)c(C)c1 ZINC000650719025 431662045 /nfs/dbraw/zinc/66/20/45/431662045.db2.gz AMDHZTQCMZMXLM-UHFFFAOYSA-N 2 0 321.428 2.585 20 0 DFADRP COc1cccc(-c2n[nH]cc2C[N@H+](C)CC[C@@H]([NH3+])C(C)C)c1 ZINC000647506217 431608341 /nfs/dbraw/zinc/60/83/41/431608341.db2.gz SMTMQUMCQPKFCK-QGZVFWFLSA-N 2 0 316.449 2.891 20 0 DFADRP C[C@H]1CC[N@H+](Cc2ccccc2)CCN1C[C@@]1(C)CC[NH2+]C1 ZINC000647515627 431613817 /nfs/dbraw/zinc/61/38/17/431613817.db2.gz SKYZVTADYJOJQM-HKUYNNGSSA-N 2 0 301.478 2.582 20 0 DFADRP COc1cccc(CC2CC[NH+](C[C@@H]3CCC[NH2+]C3)CC2)c1 ZINC000647518386 431615492 /nfs/dbraw/zinc/61/54/92/431615492.db2.gz FEHZFNRWRIZFPN-GOSISDBHSA-N 2 0 302.462 2.949 20 0 DFADRP C[N@@H+]1CCC[C@H](CC[NH2+]Cc2ncccc2C(F)(F)F)C1 ZINC000657182730 431620053 /nfs/dbraw/zinc/62/00/53/431620053.db2.gz MWOVBASZDCSWDE-GFCCVEGCSA-N 2 0 301.356 2.922 20 0 DFADRP c1cc(C[N@@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)c2c(c1)OCCO2 ZINC000647544167 431624881 /nfs/dbraw/zinc/62/48/81/431624881.db2.gz XSBYUNKTSWARFZ-HZPDHXFCSA-N 2 0 316.445 2.669 20 0 DFADRP [NH3+][C@@H]1CCO[C@H]1C1CC[NH+](Cc2ccc3cnccc3c2)CC1 ZINC000647544950 431624914 /nfs/dbraw/zinc/62/49/14/431624914.db2.gz IPAUOWHZPUDRDK-MOPGFXCFSA-N 2 0 311.429 2.563 20 0 DFADRP COc1ccc(C[N@@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)cc1O ZINC000647543878 431625841 /nfs/dbraw/zinc/62/58/41/431625841.db2.gz TVUJASFXAAUPAE-HOTGVXAUSA-N 2 0 304.434 2.612 20 0 DFADRP C[C@H]([NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1)c1noc(-c2ccccc2)n1 ZINC000647548703 431628943 /nfs/dbraw/zinc/62/89/43/431628943.db2.gz QERKMEDJFDBFRY-LCGIIJARSA-N 2 0 312.417 2.775 20 0 DFADRP CC(C)n1ccc(C[C@@H](C)[NH2+]Cc2ccc(C[NH3+])cc2F)n1 ZINC000650717753 431661579 /nfs/dbraw/zinc/66/15/79/431661579.db2.gz LMUKOPULXJNEHE-CYBMUJFWSA-N 2 0 304.413 2.783 20 0 DFADRP COc1cc(C[N@@H+]2CCCC[C@@H]2[C@@H]2C[C@@H]([NH3+])CCO2)ccc1C ZINC000650724169 431667689 /nfs/dbraw/zinc/66/76/89/431667689.db2.gz ZLFDTOKNPUSSLK-SCTDSRPQSA-N 2 0 318.461 2.864 20 0 DFADRP CC(C)Oc1ncccc1CNCc1ccnn1-c1cc[nH+]cc1 ZINC000657312686 431668085 /nfs/dbraw/zinc/66/80/85/431668085.db2.gz AASLNVZJMQSCRV-UHFFFAOYSA-N 2 0 323.400 2.739 20 0 DFADRP C[C@@H]1C[C@@H](C)C[NH+](CCCC[NH2+]Cc2cc3n(n2)CCC3)C1 ZINC000657313834 431668336 /nfs/dbraw/zinc/66/83/36/431668336.db2.gz VGCWZUWAXBXOOI-HZPDHXFCSA-N 2 0 304.482 2.677 20 0 DFADRP CC[NH+](CC)Cc1cccc(C[NH2+]Cc2cnn3c2CCC3)c1 ZINC000657315217 431671685 /nfs/dbraw/zinc/67/16/85/431671685.db2.gz OJSXVJUBJKFWBK-UHFFFAOYSA-N 2 0 312.461 2.961 20 0 DFADRP c1cn(CCCC[NH2+]Cc2ccc(O[C@H]3CCOC3)cc2)cn1 ZINC000657323545 431675347 /nfs/dbraw/zinc/67/53/47/431675347.db2.gz HISJMSWBZPNJAU-SFHVURJKSA-N 2 0 315.417 2.621 20 0 DFADRP CCC[N@@H+]1CC[C@H](C[NH2+]Cc2ccc(O[C@@H](C)COC)cc2)C1 ZINC000657325655 431676028 /nfs/dbraw/zinc/67/60/28/431676028.db2.gz PDTVYHRWMFUWBP-FUHWJXTLSA-N 2 0 320.477 2.922 20 0 DFADRP C[NH2+]Cc1ccccc1C[NH2+][C@H]1CCC[C@H](c2ccnn2C)C1 ZINC000650757425 431681461 /nfs/dbraw/zinc/68/14/61/431681461.db2.gz WXHOPMSWOPXVDC-YJBOKZPZSA-N 2 0 312.461 2.956 20 0 DFADRP CN(CCC[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1)c1ccccc1F ZINC000647786271 431684005 /nfs/dbraw/zinc/68/40/05/431684005.db2.gz LTGUQPBDKPXMLY-BZUAXINKSA-N 2 0 305.441 2.630 20 0 DFADRP C[C@H](COc1ccc(F)cc1F)[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000647786568 431684724 /nfs/dbraw/zinc/68/47/24/431684724.db2.gz RZZSISCLIJIHJB-RGCMKSIDSA-N 2 0 310.388 2.710 20 0 DFADRP Fc1ccc([C@@H]([NH2+]CCC2CC[NH2+]CC2)c2cnccn2)cc1 ZINC000650763340 431685053 /nfs/dbraw/zinc/68/50/53/431685053.db2.gz YBFSZXMEEPQQSF-GOSISDBHSA-N 2 0 314.408 2.684 20 0 DFADRP Cn1cc([C@@H]([NH2+]CCC2CC[NH2+]CC2)c2cccc(F)c2)cn1 ZINC000650762547 431685339 /nfs/dbraw/zinc/68/53/39/431685339.db2.gz DOGIHKGQGJORGF-SFHVURJKSA-N 2 0 316.424 2.628 20 0 DFADRP C[C@H]1CN(Cc2ccccc2)CC[C@@H]1[NH2+]CCC1CC[NH2+]CC1 ZINC000650763980 431685533 /nfs/dbraw/zinc/68/55/33/431685533.db2.gz NKYRMZHSUUGYIM-PXNSSMCTSA-N 2 0 315.505 2.876 20 0 DFADRP CC[C@H](C[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)Oc1cccc(F)c1 ZINC000647788291 431686868 /nfs/dbraw/zinc/68/68/68/431686868.db2.gz HBIPPUFBHLQHHN-YALNPMBYSA-N 2 0 306.425 2.961 20 0 DFADRP c1ccc(C2(C[NH2+][C@@H]3CC[C@H]4C[NH2+]C[C@H]4C3)CCOCC2)cc1 ZINC000647788763 431687651 /nfs/dbraw/zinc/68/76/51/431687651.db2.gz QDSZIUOKIOMZFM-YQVWRLOYSA-N 2 0 314.473 2.713 20 0 DFADRP CC[C@H](C[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1)Oc1cccc(F)c1 ZINC000647788288 431687667 /nfs/dbraw/zinc/68/76/67/431687667.db2.gz HBIPPUFBHLQHHN-MUIFIZLQSA-N 2 0 306.425 2.961 20 0 DFADRP CCC(CC)[C@H](C[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1)[NH+]1CCCC1 ZINC000647788622 431687702 /nfs/dbraw/zinc/68/77/02/431687702.db2.gz NINXAKLVXNUSHX-MKXGPGLRSA-N 3 0 307.526 2.865 20 0 DFADRP CCN(CC[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1)c1ccccc1C ZINC000647789941 431688295 /nfs/dbraw/zinc/68/82/95/431688295.db2.gz ODSMVDMKRGBVFF-OKZBNKHCSA-N 2 0 301.478 2.799 20 0 DFADRP C[C@H](O)[C@](C)(C[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)Cc1ccccc1 ZINC000647795802 431689713 /nfs/dbraw/zinc/68/97/13/431689713.db2.gz WGZJOQWOWPVMLE-ZMHJYQQXSA-N 2 0 316.489 2.594 20 0 DFADRP Cn1cc(-c2ccccc2C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)cn1 ZINC000647794035 431689811 /nfs/dbraw/zinc/68/98/11/431689811.db2.gz OZSAESPPXDUCPA-UWWQBHOKSA-N 2 0 310.445 2.565 20 0 DFADRP Cc1ccn(-c2ccccc2C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)n1 ZINC000647793171 431689906 /nfs/dbraw/zinc/68/99/06/431689906.db2.gz ODZLDPHOAJTWPE-RYQLBKOJSA-N 2 0 310.445 2.658 20 0 DFADRP Cn1c(C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)nc2cc(Cl)ccc21 ZINC000647795828 431690125 /nfs/dbraw/zinc/69/01/25/431690125.db2.gz XGGYIAWFWBNQEH-YRGRVCCFSA-N 2 0 318.852 2.704 20 0 DFADRP c1cc(C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)cc(OC2CCCC2)n1 ZINC000647793463 431690171 /nfs/dbraw/zinc/69/01/71/431690171.db2.gz ZCJHCLOPLKBOCY-BRWVUGGUSA-N 2 0 315.461 2.881 20 0 DFADRP c1cnc(OC2CCCC2)c(C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000647793321 431690220 /nfs/dbraw/zinc/69/02/20/431690220.db2.gz TXZDXZBDBJAVMP-HYVNUMGLSA-N 2 0 315.461 2.881 20 0 DFADRP FC(F)Oc1ccccc1CC[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000647795651 431690383 /nfs/dbraw/zinc/69/03/83/431690383.db2.gz SMGCVDHHORRUAZ-QLFBSQMISA-N 2 0 310.388 2.808 20 0 DFADRP c1ccc([C@H]2C[C@@H]2C[NH2+][C@@H]2CCOC[C@@H]2[C@@H]2CCC[NH2+]2)cc1 ZINC000647801170 431691301 /nfs/dbraw/zinc/69/13/01/431691301.db2.gz QESGSDPEBKQQPJ-IEWDOMPSSA-N 2 0 300.446 2.537 20 0 DFADRP CCc1cccc2cc(C[NH2+]C[C@@H](C)N3CC[NH+](C)CC3)oc21 ZINC000657348685 431693529 /nfs/dbraw/zinc/69/35/29/431693529.db2.gz DPXNRYNQUUZMGZ-OAHLLOKOSA-N 2 0 315.461 2.721 20 0 DFADRP Cc1cccc2nc(CC[NH2+][C@@H](C)c3ccc(C[NH3+])nc3C)cn21 ZINC000647803741 431693723 /nfs/dbraw/zinc/69/37/23/431693723.db2.gz AHWYVUAGYOITPW-AWEZNQCLSA-N 2 0 323.444 2.698 20 0 DFADRP C[C@H]([NH2+]CC[C@H]1CSc2ccccc2O1)[C@@H]1CCC[NH2+]C1 ZINC000647801623 431694555 /nfs/dbraw/zinc/69/45/55/431694555.db2.gz ZRZWYHUJDWDORE-ZNMIVQPWSA-N 2 0 306.475 2.908 20 0 DFADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]CC[C@H]1CSc2ccccc2O1 ZINC000647801463 431695038 /nfs/dbraw/zinc/69/50/38/431695038.db2.gz WKEFGJDUSJIMHE-ILXRZTDVSA-N 2 0 306.475 2.908 20 0 DFADRP CC[C@@H]1C[C@H]([NH2+]C[C@@H]2CC[N@H+](CCc3ccccc3)C2)CO1 ZINC000657354589 431695189 /nfs/dbraw/zinc/69/51/89/431695189.db2.gz SGDUOQUITZXMRF-GBESFXJTSA-N 2 0 302.462 2.708 20 0 DFADRP C[C@@H]1SCC[C@@H]1[NH2+][C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000647804661 431695326 /nfs/dbraw/zinc/69/53/26/431695326.db2.gz WWFUDAHUWLUJIP-QEWYBTABSA-N 2 0 304.459 2.726 20 0 DFADRP CCCOc1ccc(C[NH2+][C@H](C)CN2CC[NH+](C)CC2)c(C)c1 ZINC000657354016 431696145 /nfs/dbraw/zinc/69/61/45/431696145.db2.gz MYFROSOKMHEIHK-QGZVFWFLSA-N 2 0 319.493 2.509 20 0 DFADRP C[NH+](C)Cc1cc(C[NH2+]Cc2ccnn2CC2CC2)ccc1F ZINC000657364673 431703459 /nfs/dbraw/zinc/70/34/59/431703459.db2.gz YTGVVLYIKVBYQX-UHFFFAOYSA-N 2 0 316.424 2.784 20 0 DFADRP COCc1cccc(OCC2(C[N@H+](C)CCC[NH3+])CCC2)c1 ZINC000647847666 431705256 /nfs/dbraw/zinc/70/52/56/431705256.db2.gz ZGCAYHDMTRXCIA-UHFFFAOYSA-N 2 0 306.450 2.663 20 0 DFADRP CC[C@H]1C[C@@H]([NH2+]CC2(N3CCSCC3)CCCCC2)CO1 ZINC000657369437 431705918 /nfs/dbraw/zinc/70/59/18/431705918.db2.gz GDIYLHVKRPUNAV-CVEARBPZSA-N 2 0 312.523 2.895 20 0 DFADRP CCc1nn(C)c(CC)c1C[NH2+]Cc1ccccc1C[NH2+]C ZINC000650719481 431662166 /nfs/dbraw/zinc/66/21/66/431662166.db2.gz RHKGDKYYMXYXQB-UHFFFAOYSA-N 2 0 300.450 2.554 20 0 DFADRP c1ccc(C[N@H+]2C[C@H]3C[C@@H](C2)C3NCC[NH+]2CCCCC2)cc1 ZINC000647908873 431724056 /nfs/dbraw/zinc/72/40/56/431724056.db2.gz XHOGXXFBRZSHSR-YOFSQIOKSA-N 2 0 313.489 2.582 20 0 DFADRP COCCC1(C[NH2+]Cc2ccnn2-c2cc[nH+]cc2)CCC1 ZINC000657396989 431726840 /nfs/dbraw/zinc/72/68/40/431726840.db2.gz HZIOIHAOAFHCMP-UHFFFAOYSA-N 2 0 300.406 2.564 20 0 DFADRP CC1([NH3+])CC[NH+](CCc2nc(-c3ccc(Cl)cc3)no2)CC1 ZINC000647924866 431730323 /nfs/dbraw/zinc/73/03/23/431730323.db2.gz RXFMNDWVQAGHOJ-UHFFFAOYSA-N 2 0 320.824 2.746 20 0 DFADRP Fc1cccc([C@@H]2C[NH2+]CCN2CCCC2CC[NH2+]CC2)c1 ZINC000647953318 431746034 /nfs/dbraw/zinc/74/60/34/431746034.db2.gz IGAKPENZRUHUAB-SFHVURJKSA-N 2 0 305.441 2.552 20 0 DFADRP Cc1csc([C@H](C)C[NH2+]Cc2ccnn2-c2cc[nH+]cc2)n1 ZINC000657432893 431748756 /nfs/dbraw/zinc/74/87/56/431748756.db2.gz LQQUHMLWOGIZPV-GFCCVEGCSA-N 2 0 313.430 2.926 20 0 DFADRP C[NH+](C)CC1CC[NH+](C[C@H]2CCCN(C(=O)C(C)(C)C)C2)CC1 ZINC000647958856 431751285 /nfs/dbraw/zinc/75/12/85/431751285.db2.gz HYBZHUKTDRIOBR-QGZVFWFLSA-N 2 0 323.525 2.545 20 0 DFADRP c1cc(CC[N@@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)cc2c1OCC2 ZINC000647978809 431761696 /nfs/dbraw/zinc/76/16/96/431761696.db2.gz YKVBFPYRAHSTLO-OALUTQOASA-N 2 0 314.473 2.876 20 0 DFADRP CC(C)N(C(=O)[C@@H](C)[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1)C(C)C ZINC000647975850 431761908 /nfs/dbraw/zinc/76/19/08/431761908.db2.gz GUIDHGNLNSQCNP-KZNAEPCWSA-N 2 0 323.525 2.732 20 0 DFADRP COc1cccc(OCC[N@@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)c1 ZINC000647977755 431763412 /nfs/dbraw/zinc/76/34/12/431763412.db2.gz HBUHENBBHYYUSQ-IRXDYDNUSA-N 2 0 318.461 2.786 20 0 DFADRP C[N@@H+](Cc1cccnc1)C[C@@H]1CCN(c2[nH+]ccc3[nH]ccc32)C1 ZINC000647878312 431717140 /nfs/dbraw/zinc/71/71/40/431717140.db2.gz XUROQNUOAMYHOH-INIZCTEOSA-N 2 0 321.428 2.916 20 0 DFADRP Cc1ccccc1-n1cc(CN(C)[C@@H]2CC[N@@H+](C)C[C@H]2C)cn1 ZINC000648035850 431792629 /nfs/dbraw/zinc/79/26/29/431792629.db2.gz SKWSAMUSRXICIS-SJLPKXTDSA-N 2 0 312.461 2.953 20 0 DFADRP Cc1ccccc1-n1cc(CN(C)[C@@H]2CC[N@@H+](C)C[C@@H]2C)cn1 ZINC000648035849 431793313 /nfs/dbraw/zinc/79/33/13/431793313.db2.gz SKWSAMUSRXICIS-FUHWJXTLSA-N 2 0 312.461 2.953 20 0 DFADRP COc1ccc(C[NH2+]CC2CC[NH+](C3CCOCC3)CC2)cc1 ZINC000657536075 431799528 /nfs/dbraw/zinc/79/95/28/431799528.db2.gz FGSVCXNLQUPLJX-UHFFFAOYSA-N 2 0 318.461 2.676 20 0 DFADRP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+]C[C@H](C)c1ccccn1 ZINC000657534475 431799701 /nfs/dbraw/zinc/79/97/01/431799701.db2.gz GEVAGTZQQDIUHE-AWEZNQCLSA-N 2 0 307.401 2.864 20 0 DFADRP C[NH+](C)CCOc1ccc(C[N@@H+]2CCOC[C@H]2C2CCC2)cc1 ZINC000648067287 431806326 /nfs/dbraw/zinc/80/63/26/431806326.db2.gz XSGZNLNOBZAZHS-IBGZPJMESA-N 2 0 318.461 2.628 20 0 DFADRP C[NH+]1CCC2(CC1)C[N@H+](C[C@H]1C[C@@H]1c1ccccc1)CCO2 ZINC000648072325 431807655 /nfs/dbraw/zinc/80/76/55/431807655.db2.gz YJMAYNUAORXKAX-QZTJIDSGSA-N 2 0 300.446 2.587 20 0 DFADRP C[NH+]1CCC2(CC1)C[N@H+](C[C@@H]1C[C@@H]1c1ccccc1)CCO2 ZINC000648072326 431807855 /nfs/dbraw/zinc/80/78/55/431807855.db2.gz YJMAYNUAORXKAX-ZWKOTPCHSA-N 2 0 300.446 2.587 20 0 DFADRP C[C@@H](CN(C)CCC[NH+](C)C)[NH2+]Cc1ccc(Cl)s1 ZINC000657572685 431814569 /nfs/dbraw/zinc/81/45/69/431814569.db2.gz BPWWLVKUAXEVSB-LBPRGKRZSA-N 2 0 303.903 2.763 20 0 DFADRP C[C@@H](CN(C)CCC[NH+](C)C)[NH2+]Cc1ccc2occc2c1 ZINC000657572787 431815650 /nfs/dbraw/zinc/81/56/50/431815650.db2.gz GITBAPIAIBZXSW-HNNXBMFYSA-N 2 0 303.450 2.794 20 0 DFADRP CCC[N@H+](C[C@@H]1CC[NH2+]C1)[C@@H](C)CC(=O)Nc1ccccc1 ZINC000647991222 431766095 /nfs/dbraw/zinc/76/60/95/431766095.db2.gz MEHNBGWUHQMALR-JKSUJKDBSA-N 2 0 303.450 2.725 20 0 DFADRP c1ccc(C[N@H+]2CCC[C@@H]3CN(C[C@@H]4CC[NH2+]C4)CC[C@H]32)cc1 ZINC000647990921 431766530 /nfs/dbraw/zinc/76/65/30/431766530.db2.gz VGJPHXWUORTZFX-VAMGGRTRSA-N 2 0 313.489 2.582 20 0 DFADRP C[N@H+](CCOc1ccc(C(F)(F)F)cc1)C[C@@H]1CC[NH2+]C1 ZINC000647991536 431767217 /nfs/dbraw/zinc/76/72/17/431767217.db2.gz IOHIGLQPVKRNKW-GFCCVEGCSA-N 2 0 302.340 2.626 20 0 DFADRP c1ccc(C[N@H+]2CCC[C@@H]3CN(C[C@@H]4CC[NH2+]C4)CC[C@@H]32)cc1 ZINC000647990920 431767279 /nfs/dbraw/zinc/76/72/79/431767279.db2.gz VGJPHXWUORTZFX-AQNXPRMDSA-N 2 0 313.489 2.582 20 0 DFADRP CN1CC[C@H]([NH2+]CCCC2CC[NH2+]CC2)[C@@H]1c1ccccc1 ZINC000647992637 431768679 /nfs/dbraw/zinc/76/86/79/431768679.db2.gz VVBLYSISBMXMGX-OALUTQOASA-N 2 0 301.478 2.801 20 0 DFADRP C[N@@H+]1C[C@H]2CCN(Cc3cccc(C[NH+]4CCCCC4)c3)[C@@H]2C1 ZINC000664570346 431822233 /nfs/dbraw/zinc/82/22/33/431822233.db2.gz FLMDMUWPACBUJI-WOJBJXKFSA-N 2 0 313.489 2.808 20 0 DFADRP CO[C@H]1CCC[C@H]([NH2+]CC2CC[NH+](Cc3ccncc3)CC2)C1 ZINC000657613264 431824479 /nfs/dbraw/zinc/82/44/79/431824479.db2.gz JZIWNHWSNZGBSX-OALUTQOASA-N 2 0 317.477 2.841 20 0 DFADRP c1csc(C[NH2+]CC2CC[NH+](Cc3ccncc3)CC2)n1 ZINC000657612727 431825333 /nfs/dbraw/zinc/82/53/33/431825333.db2.gz QBCMYMNBZCLBSE-UHFFFAOYSA-N 2 0 302.447 2.540 20 0 DFADRP CC[C@@H]1C[C@@H]([NH2+]CC2CC[NH+](Cc3ccncc3)CC2)CCO1 ZINC000657612674 431826143 /nfs/dbraw/zinc/82/61/43/431826143.db2.gz CGVOBIMCYHDVFJ-RBUKOAKNSA-N 2 0 317.477 2.841 20 0 DFADRP Cc1ccc(NC(=O)[C@@H](C2CC2)[NH+]2CCCC2)c(C[NH+](C)C)c1 ZINC000124180296 280904275 /nfs/dbraw/zinc/90/42/75/280904275.db2.gz HJTGTKFKOJJYJC-GOSISDBHSA-N 2 0 315.461 2.870 20 0 DFADRP Cc1ccccc1C[C@H]([NH2+][C@H](C)CN1CC[NH+](C)CC1)C1CC1 ZINC000284254342 281345805 /nfs/dbraw/zinc/34/58/05/281345805.db2.gz IPMQRFSMAJASTK-XLIONFOSSA-N 2 0 315.505 2.542 20 0 DFADRP CC1CC[NH+](CC2CC[NH+](C[C@](C)(O)C(F)(F)F)CC2)CC1 ZINC000374162210 281808253 /nfs/dbraw/zinc/80/82/53/281808253.db2.gz NLNGZCXMYYEGQI-HNNXBMFYSA-N 2 0 322.415 2.744 20 0 DFADRP C[NH+](C)[C@H]1CCc2cc(NC(=O)N[C@@H](C[NH3+])C(C)(C)C)ccc21 ZINC000415784042 289137686 /nfs/dbraw/zinc/13/76/86/289137686.db2.gz GSGTZESUKUZLSL-HOTGVXAUSA-N 2 0 318.465 2.730 20 0 DFADRP C[NH+](C)[C@@H]1CCc2cc(NC(=O)N[C@H](C[NH3+])C(C)(C)C)ccc21 ZINC000415784043 289137699 /nfs/dbraw/zinc/13/76/99/289137699.db2.gz GSGTZESUKUZLSL-HZPDHXFCSA-N 2 0 318.465 2.730 20 0 DFADRP CCCN(CC[NH+]1CCCCCC1)C(=O)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000418577182 289152762 /nfs/dbraw/zinc/15/27/62/289152762.db2.gz IHURBCVUNNDSAN-DLBZAZTESA-N 2 0 324.513 2.554 20 0 DFADRP C[C@H](N[C@@H]1CC[N@@H+]2CCC[C@H]2C1)[C@@H]1CCC[NH+](C2CCC2)C1 ZINC000358476722 290019131 /nfs/dbraw/zinc/01/91/31/290019131.db2.gz YCFZICIRGCMSCO-FAJBIJEISA-N 2 0 305.510 2.856 20 0 DFADRP C[NH+]1CCC(CC[NH2+]Cc2c[nH]nc2-c2ccsc2)CC1 ZINC000436226512 296993219 /nfs/dbraw/zinc/99/32/19/296993219.db2.gz IQQUOPCHXRAKPS-UHFFFAOYSA-N 2 0 304.463 2.960 20 0 DFADRP Cc1nn(-c2ccc(F)cc2)cc1C[NH2+]C1CCC([NH3+])CC1 ZINC000437796733 297069992 /nfs/dbraw/zinc/06/99/92/297069992.db2.gz RUVBQTPVBFTESD-UHFFFAOYSA-N 2 0 302.397 2.679 20 0 DFADRP C[C@@H]1C[N@@H+](CCC2CC[NH+](CC[C@@H]3CCOC3)CC2)C[C@H](C)O1 ZINC000438114864 297081017 /nfs/dbraw/zinc/08/10/17/297081017.db2.gz PIWMBTMGLSAVLN-ZIFCJYIRSA-N 2 0 324.509 2.624 20 0 DFADRP C[C@H](C[C@H](C)NC(=O)OC(C)(C)C)[NH2+]CC1CC[NH+](C)CC1 ZINC000494466997 299870623 /nfs/dbraw/zinc/87/06/23/299870623.db2.gz DLPBHWQMYYVSLV-KGLIPLIRSA-N 2 0 313.486 2.610 20 0 DFADRP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(C[NH+]3CCC(O)CC3)cc2)[C@@H]1C ZINC000495088492 299902841 /nfs/dbraw/zinc/90/28/41/299902841.db2.gz DWYNWESXZYSFRD-SPYBWZPUSA-N 2 0 302.462 2.777 20 0 DFADRP COc1ccc(C[C@@H](C)[NH2+]CC2=CC[N@H+](C)CC2)c(C)c1OC ZINC000286156741 295137608 /nfs/dbraw/zinc/13/76/08/295137608.db2.gz PDHDRAYTTBDNGV-CQSZACIVSA-N 2 0 318.461 2.795 20 0 DFADRP C[C@@H]1Cc2ccccc2[C@H]1[NH2+]CCCC[NH+]1CCN(C)CC1 ZINC000154371985 295298499 /nfs/dbraw/zinc/29/84/99/295298499.db2.gz NEKMRTYIQDZXMS-APWZRJJASA-N 2 0 301.478 2.537 20 0 DFADRP CC[C@H]([NH2+]CCCC[NH+]1CCN(C)CC1)c1ccc(OC)cc1 ZINC000154378131 295298590 /nfs/dbraw/zinc/29/85/90/295298590.db2.gz GXDWBEDJBUZVCD-IBGZPJMESA-N 2 0 319.493 2.764 20 0 DFADRP C[C@@H]([NH2+]CCCC[NH+]1CCN(C)CC1)c1cc(F)cc(F)c1 ZINC000154394808 295298952 /nfs/dbraw/zinc/29/89/52/295298952.db2.gz YJVWGTNTSHKQPM-CQSZACIVSA-N 2 0 311.420 2.643 20 0 DFADRP C[C@H]([NH2+]CCCC[NH+]1CCN(C)CC1)c1cc2c(s1)CCC2 ZINC000154391834 295299166 /nfs/dbraw/zinc/29/91/66/295299166.db2.gz XUWCMBLIIQERHK-HNNXBMFYSA-N 2 0 321.534 2.915 20 0 DFADRP Cc1ccc(C[C@@H]([NH2+][C@@H](C)CN2CC[NH+](C)CC2)C(C)C)cc1 ZINC000155115144 295313019 /nfs/dbraw/zinc/31/30/19/295313019.db2.gz RUESPPPYQOBLTQ-AZUAARDMSA-N 2 0 317.521 2.788 20 0 DFADRP COCCOc1ccc([C@H](C)[NH2+]C[C@H]2CCC[N@H+](C)C2)cc1 ZINC000158144568 295358971 /nfs/dbraw/zinc/35/89/71/295358971.db2.gz PLHULKAATNACGL-JKSUJKDBSA-N 2 0 306.450 2.704 20 0 DFADRP COc1ccccc1[C@H](C)[NH2+][C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000363786156 295444379 /nfs/dbraw/zinc/44/43/79/295444379.db2.gz QCDYODPOEUAOBW-HOTGVXAUSA-N 2 0 317.477 2.514 20 0 DFADRP CC1=C[C@H](C)C[C@H](C[NH2+][C@H]2CCN(C3CC[NH+](C)CC3)C2)C1 ZINC000368088314 295456712 /nfs/dbraw/zinc/45/67/12/295456712.db2.gz GJRUCLSDMIAWKF-SZMVWBNQSA-N 2 0 305.510 2.737 20 0 DFADRP CC(C)[NH+]1CCN(C2CC[NH+](C[C@@H]3CC=CCC3)CC2)CC1 ZINC000370339173 295459957 /nfs/dbraw/zinc/45/99/57/295459957.db2.gz GUDXCLMDPIUTLY-GOSISDBHSA-N 2 0 305.510 2.833 20 0 DFADRP CC[NH+](CC)[C@H](CNC(=O)[C@@H](C(C)C)[C@H](C)[NH3+])c1ccccc1 ZINC000399403688 295495929 /nfs/dbraw/zinc/49/59/29/295495929.db2.gz XDGPPGXFYNQQGK-JQHSSLGASA-N 2 0 319.493 2.805 20 0 DFADRP C[C@@H]([NH2+]CC1CC[NH+](Cc2ccccc2)CC1)[C@H]1CCC[NH2+]1 ZINC000400399480 295497100 /nfs/dbraw/zinc/49/71/00/295497100.db2.gz KEEHWXMKJBUWKI-VQIMIIECSA-N 3 0 301.478 2.629 20 0 DFADRP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)[C@@H]1CCC[NH+]1C1CCCC1 ZINC000438569942 297099187 /nfs/dbraw/zinc/09/91/87/297099187.db2.gz UZGNSSXLOALYIR-AEFFLSMTSA-N 2 0 321.509 2.774 20 0 DFADRP CC(C)(C)[NH+]1CCC(NC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC000440112994 297144745 /nfs/dbraw/zinc/14/47/45/297144745.db2.gz YRJBGXBYDZTYCX-KRWDZBQOSA-N 2 0 321.509 2.773 20 0 DFADRP C[NH+](C)C1(CNC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)CCCCC1 ZINC000440156945 297146008 /nfs/dbraw/zinc/14/60/08/297146008.db2.gz PPOSOCXUVOVIER-KRWDZBQOSA-N 2 0 321.509 2.774 20 0 DFADRP CO[C@@H]1CC[NH+](C/C=C/C[N@H+]2CC[C@H](OC)C[C@@H]2C)[C@H](C)C1 ZINC000441341967 297179841 /nfs/dbraw/zinc/17/98/41/297179841.db2.gz QJOGINBCJSRJSX-OKCGKKNSSA-N 2 0 310.482 2.541 20 0 DFADRP C[C@H]1C[C@@H]1c1ccc(C[NH2+]CCN2CC[N@H+](C)C(C)(C)C2)o1 ZINC000441369675 297180865 /nfs/dbraw/zinc/18/08/65/297180865.db2.gz OACOPHYVEXMYDR-HOCLYGCPSA-N 2 0 305.466 2.519 20 0 DFADRP CC(C)[C@@H](C(=O)NC1CCC(C[NH+](C)C)CC1)[NH+]1CCCCC1 ZINC000442194444 297192665 /nfs/dbraw/zinc/19/26/65/297192665.db2.gz CQJFCJHLQVTISU-ABHNRTSZSA-N 2 0 323.525 2.734 20 0 DFADRP C[C@@H]1C[C@H](C[NH3+])C[N@@H+]1CCC(=O)Nc1cccc2ccccc21 ZINC000442750988 297204414 /nfs/dbraw/zinc/20/44/14/297204414.db2.gz BKMYLKATYPWJCE-HUUCEWRRSA-N 2 0 311.429 2.838 20 0 DFADRP C[N@@H+]1CCN(CC[NH2+][C@H]2CCCc3sccc32)CC1(C)C ZINC000442873392 297208750 /nfs/dbraw/zinc/20/87/50/297208750.db2.gz KYAYYNMVLNINKN-HNNXBMFYSA-N 2 0 307.507 2.741 20 0 DFADRP [NH3+]CC[C@H]1CCC[N@H+](Cc2c[nH]nc2-c2c(F)cccc2F)C1 ZINC000442916834 297211277 /nfs/dbraw/zinc/21/12/77/297211277.db2.gz ARKAOYMTOXVMLM-GFCCVEGCSA-N 2 0 320.387 2.916 20 0 DFADRP CCN(CC)C(=O)[C@@H](c1ccccc1)[N@@H+]1CCC[C@H](CC[NH3+])C1 ZINC000443058235 297213834 /nfs/dbraw/zinc/21/38/34/297213834.db2.gz MRMCBMOEUCSWDQ-SJLPKXTDSA-N 2 0 317.477 2.657 20 0 DFADRP Cc1ccc(F)cc1NC(=O)[C@H](C)[N@@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000443062275 297214442 /nfs/dbraw/zinc/21/44/42/297214442.db2.gz UFVVHZMNKUIIQD-KBPBESRZSA-N 2 0 307.413 2.522 20 0 DFADRP COC(=O)[C@@H]1CCCCCC[C@@H]1[NH2+]CCC[NH+]1CCCCC1 ZINC000444640400 297242534 /nfs/dbraw/zinc/24/25/34/297242534.db2.gz CUUBDCQSHJGDSK-SJORKVTESA-N 2 0 310.482 2.964 20 0 DFADRP COC[C@@H]([NH2+]CCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1)C1CCCC1 ZINC000446819716 297287332 /nfs/dbraw/zinc/28/73/32/297287332.db2.gz VDFBCZVRXLDULY-SOLBZPMBSA-N 2 0 312.498 2.671 20 0 DFADRP CCOC1CC(O)(C[NH2+]C2CC[NH+]([C@H]3CCC[C@@H](C)C3)CC2)C1 ZINC000446850381 297288950 /nfs/dbraw/zinc/28/89/50/297288950.db2.gz YPKOBHMBAXJYNL-SVUBNXHSSA-N 2 0 324.509 2.549 20 0 DFADRP C[C@H](NC(=O)c1sccc1C[NH+](C)C)C(C)(C)C[NH+](C)C ZINC000446908271 297290148 /nfs/dbraw/zinc/29/01/48/297290148.db2.gz KZYHSQOUXGIELC-LBPRGKRZSA-N 2 0 311.495 2.516 20 0 DFADRP C[C@H]1CCCC[N@@H+]1CCCNC(=O)c1sccc1C[NH+](C)C ZINC000447090354 297295176 /nfs/dbraw/zinc/29/51/76/297295176.db2.gz YDKQKRRAYZVJER-AWEZNQCLSA-N 2 0 323.506 2.804 20 0 DFADRP COc1ccc2c(c1)[C@H]([NH2+]CCOCC[NH+](C)C)CCCS2 ZINC000447601821 297310314 /nfs/dbraw/zinc/31/03/14/297310314.db2.gz REDVGQHFYFZICW-MRXNPFEDSA-N 2 0 324.490 2.790 20 0 DFADRP COc1ccc2c(c1)[C@@H]([NH2+]CCOCC[NH+](C)C)CCCS2 ZINC000447601820 297310324 /nfs/dbraw/zinc/31/03/24/297310324.db2.gz REDVGQHFYFZICW-INIZCTEOSA-N 2 0 324.490 2.790 20 0 DFADRP COC(=O)C1(C[N@@H+]2CCC[C@H](C[NH+]3CCCCCC3)C2)CC1 ZINC000448525454 297341231 /nfs/dbraw/zinc/34/12/31/297341231.db2.gz QUKHSZAZIKXLPZ-MRXNPFEDSA-N 2 0 308.466 2.528 20 0 DFADRP C[C@H](O)C[NH+]1CCC(C[N@H+](C)Cc2cccc3ccoc32)CC1 ZINC000449030644 297394035 /nfs/dbraw/zinc/39/40/35/297394035.db2.gz UVUSXTTVZSDQTK-HNNXBMFYSA-N 2 0 316.445 2.957 20 0 DFADRP C[NH2+][C@H](CC(C)(C)C)C(=O)NC[C@@H](c1cccc(F)c1)[NH+](C)C ZINC000449064601 297399247 /nfs/dbraw/zinc/39/92/47/297399247.db2.gz VHVOKNAFFCJTNC-CVEARBPZSA-N 2 0 323.456 2.569 20 0 DFADRP C[C@@H]1CC[C@@H](C)[C@@H]([NH2+]Cc2ccnc(N3CC[NH+](C)CC3)c2)C1 ZINC000449081704 297402214 /nfs/dbraw/zinc/40/22/14/297402214.db2.gz HHIRQIBXRSEEHO-NUJGCVRESA-N 2 0 316.493 2.748 20 0 DFADRP C[C@@H](Cc1coc2ccccc12)[NH2+]CC1CC[NH+](CCO)CC1 ZINC000449119800 297408730 /nfs/dbraw/zinc/40/87/30/297408730.db2.gz AZVPKBJIYLKQNI-HNNXBMFYSA-N 2 0 316.445 2.658 20 0 DFADRP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(OCC[NH+]3CCCC3)cc2)[C@@H](C)O1 ZINC000449139786 297411876 /nfs/dbraw/zinc/41/18/76/297411876.db2.gz HLDQUWQGKUYIPA-GPMSIDNRSA-N 2 0 318.461 2.817 20 0 DFADRP CSCC1CCC([NH2+][C@@H](C)CCN2CC[NH+](C)CC2)CC1 ZINC000449250811 297429394 /nfs/dbraw/zinc/42/93/94/297429394.db2.gz QAHYXHKWYUCFAQ-GTPINHCMSA-N 2 0 313.555 2.524 20 0 DFADRP CC[NH+]1CCN(CC(C)(C)[NH2+]C[C@@H]2C[C@@H]2c2ccccc2)CC1 ZINC000449744974 297524939 /nfs/dbraw/zinc/52/49/39/297524939.db2.gz KKTVSRHMZNVANZ-RBUKOAKNSA-N 2 0 315.505 2.796 20 0 DFADRP CC[NH+]1CCN(CC(C)(C)[NH2+]Cc2ccc([C@H]3C[C@H]3C)o2)CC1 ZINC000449748950 297526732 /nfs/dbraw/zinc/52/67/32/297526732.db2.gz DHDHAKDKHVXXQR-WBVHZDCISA-N 2 0 319.493 2.909 20 0 DFADRP C[C@H](c1ccccc1)[C@H](O)C[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000450265377 297604341 /nfs/dbraw/zinc/60/43/41/297604341.db2.gz XLFDFILZERYZNR-YLJYHZDGSA-N 2 0 316.489 2.959 20 0 DFADRP CCc1ccc2[nH+]ccc(NC3CC[NH+](CCOC)CC3)c2c1 ZINC000450279817 297606930 /nfs/dbraw/zinc/60/69/30/297606930.db2.gz WNAZFOBJQRREDR-UHFFFAOYSA-N 2 0 313.445 2.742 20 0 DFADRP COC1([C@H](C)[NH2+]CCC[N@H+]2C[C@H](C)C[C@H](C)C2)CCOCC1 ZINC000453055092 298057319 /nfs/dbraw/zinc/05/73/19/298057319.db2.gz DCPQYKFYNSPWCH-BBWFWOEESA-N 2 0 312.498 2.528 20 0 DFADRP C[C@@H](Cc1cnccn1)[NH2+]CCCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000453069898 298059196 /nfs/dbraw/zinc/05/91/96/298059196.db2.gz ZJFJZZHRZNWTIN-ZACQAIPSSA-N 2 0 304.482 2.755 20 0 DFADRP COC1([C@H](C)[NH2+]CCC[NH+](C(C)C)C(C)C)CCOCC1 ZINC000453115523 298063435 /nfs/dbraw/zinc/06/34/35/298063435.db2.gz IDFYHGJZUYXQHE-INIZCTEOSA-N 2 0 300.487 2.669 20 0 DFADRP COC1([C@@H](C)[NH2+]C2CC[NH+](C3CCCCC3)CC2)CCOCC1 ZINC000453120931 298064524 /nfs/dbraw/zinc/06/45/24/298064524.db2.gz CWQZNMSGUKNYOY-MRXNPFEDSA-N 2 0 324.509 2.957 20 0 DFADRP c1ccc(C[N@@H+]2CC[C@H]([NH2+][C@@H]3CCOC3)[C@@H]3CCC[C@H]32)cc1 ZINC000453179640 298069264 /nfs/dbraw/zinc/06/92/64/298069264.db2.gz UYYOJGIXIOTDQQ-YDZRNGNQSA-N 2 0 300.446 2.808 20 0 DFADRP C[C@H]([NH2+]CC1=CC[N@H+](C)CC1)c1cc(-c2ccccc2)nn1C ZINC000453182901 298069408 /nfs/dbraw/zinc/06/94/08/298069408.db2.gz SURLJDLRURKOQO-HNNXBMFYSA-N 2 0 310.445 3.000 20 0 DFADRP COc1ccc2c(c1)C[C@H]([NH2+]CC[C@H](C)[NH+]1CCCCC1)CO2 ZINC000453195959 298070583 /nfs/dbraw/zinc/07/05/83/298070583.db2.gz QJRXGGHCYBIYKR-RDJZCZTQSA-N 2 0 318.461 2.853 20 0 DFADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CC2(OC)CCCC2)[C@H](C)C1 ZINC000453223183 298072923 /nfs/dbraw/zinc/07/29/23/298072923.db2.gz LONLVQWUYVPHCM-IAGOWNOFSA-N 2 0 312.498 2.672 20 0 DFADRP C[N@@H+]1CC[C@H]([NH2+][C@@H]2CCO[C@H](c3ccncc3)C2)[C@@H]2CCC[C@H]21 ZINC000453335014 298084324 /nfs/dbraw/zinc/08/43/24/298084324.db2.gz FEISPFPRYZCSIK-SPOLIRPYSA-N 2 0 315.461 2.764 20 0 DFADRP CC(C)OCCOC1CC[NH+]([C@@H]2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000453354432 298086596 /nfs/dbraw/zinc/08/65/96/298086596.db2.gz JSCXVVDDUVRRLA-IAGOWNOFSA-N 2 0 310.482 2.519 20 0 DFADRP C[C@H](CC(=O)N(C)c1ccccc1)[NH2+]CCCC[N@H+](C)C1CC1 ZINC000453390003 298089212 /nfs/dbraw/zinc/08/92/12/298089212.db2.gz CQSFMMSJUJHPSL-MRXNPFEDSA-N 2 0 317.477 2.892 20 0 DFADRP Cc1cnc(CC[NH2+]C2CC[NH+]([C@@H]3CCC[C@H](C)C3)CC2)cn1 ZINC000453410730 298091904 /nfs/dbraw/zinc/09/19/04/298091904.db2.gz VASJIXKATFFTTI-HNAYVOBHSA-N 2 0 316.493 2.960 20 0 DFADRP Cc1csc(N2CCC([NH2+]CCCC[N@@H+](C)C3CC3)CC2)n1 ZINC000453420460 298093460 /nfs/dbraw/zinc/09/34/60/298093460.db2.gz ZPFGTMUOXYOCHA-UHFFFAOYSA-N 2 0 322.522 2.884 20 0 DFADRP C[C@H](c1cccc(N2CCOC2=O)c1)[N@H+](C)C[C@H]1CCC[NH2+]C1 ZINC000496165177 300024320 /nfs/dbraw/zinc/02/43/20/300024320.db2.gz GXXZJMCJWSNJOE-CABCVRRESA-N 2 0 317.433 2.636 20 0 DFADRP C[NH+](C)C1CC([NH2+]C2CCC(NC(=O)OC(C)(C)C)CC2)C1 ZINC000496723206 300104243 /nfs/dbraw/zinc/10/42/43/300104243.db2.gz UDPCMAXOJJGDOE-UHFFFAOYSA-N 2 0 311.470 2.505 20 0 DFADRP C[C@@H]([NH2+]C1CCC(C[NH3+])CC1)c1cccc(N2CCOC2=O)c1 ZINC000496936840 300135571 /nfs/dbraw/zinc/13/55/71/300135571.db2.gz HBNRAYQUUNABOG-VQCLRJIVSA-N 2 0 317.433 2.811 20 0 DFADRP C[C@@H]1C[C@H](C[N@H+](C)CCCN(C)C(=O)OC(C)(C)C)CC[NH2+]1 ZINC000497123575 300164937 /nfs/dbraw/zinc/16/49/37/300164937.db2.gz CLFADHXBOSVXCM-HUUCEWRRSA-N 2 0 313.486 2.563 20 0 DFADRP [NH3+]C1(C[NH2+][C@@H]2CCCN(C(=O)Oc3ccccc3)CC2)CCC1 ZINC000497221162 300179844 /nfs/dbraw/zinc/17/98/44/300179844.db2.gz UKLVXQJPFPVSNJ-OAHLLOKOSA-N 2 0 317.433 2.511 20 0 DFADRP CCCC[N@H+](C)CC1CCN(C(=O)[C@H]2CCCC[C@@]2(C)[NH3+])CC1 ZINC000498203414 300194457 /nfs/dbraw/zinc/19/44/57/300194457.db2.gz ZVBJTLLRFNVRCD-IEBWSBKVSA-N 2 0 323.525 2.865 20 0 DFADRP CC(C)c1nc(N(C)C)nc(N(C)CC[NH+](C(C)C)C(C)C)n1 ZINC000503301087 300220181 /nfs/dbraw/zinc/22/01/81/300220181.db2.gz HMJIJURICPXQAW-UHFFFAOYSA-N 2 0 322.501 2.616 20 0 DFADRP COCC[NH2+][C@@H]1CCCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000514092363 300259061 /nfs/dbraw/zinc/25/90/61/300259061.db2.gz FAVHWXNCUDXGAS-IPMKNSEASA-N 2 0 302.462 2.913 20 0 DFADRP C[C@@H]1C[C@H](C[N@@H+]2CC[C@H](N(C)CCc3ccccc3)C2)CC[NH2+]1 ZINC000514734965 300269202 /nfs/dbraw/zinc/26/92/02/300269202.db2.gz QSKDCXAGILWNON-RLLQIKCJSA-N 2 0 315.505 2.623 20 0 DFADRP CCCC[NH+]1CCC([NH2+]CCC(=O)Nc2ccc(C)cn2)CC1 ZINC000514824992 300273128 /nfs/dbraw/zinc/27/31/28/300273128.db2.gz GESOUIXVJOFJOM-UHFFFAOYSA-N 2 0 318.465 2.573 20 0 DFADRP C[C@@H]([NH3+])C[C@H](C)[NH2+]Cc1ccc(OCC(F)(F)F)c(F)c1 ZINC000515061117 300288053 /nfs/dbraw/zinc/28/80/53/300288053.db2.gz SMNMGCWHJXGLSA-ZJUUUORDSA-N 2 0 308.319 2.982 20 0 DFADRP [NH3+]C[C@H]1CC[C@H](C[NH2+]Cc2cccc3c2OCCCO3)CC1 ZINC000515139755 300292263 /nfs/dbraw/zinc/29/22/63/300292263.db2.gz XVJZMAVVGQOZLU-SHTZXODSSA-N 2 0 304.434 2.703 20 0 DFADRP C[NH+]1CCN(C[C@@H]([NH2+]C2CC3(CCC3)C2)c2ccccc2)CC1 ZINC000515340834 300301388 /nfs/dbraw/zinc/30/13/88/300301388.db2.gz MZKLCPCVOXFXAT-LJQANCHMSA-N 2 0 313.489 2.897 20 0 DFADRP C[C@H]1COCCN1C1CC[NH+](C[C@H]2CCCCC2(F)F)CC1 ZINC000515354954 300302170 /nfs/dbraw/zinc/30/21/70/300302170.db2.gz NVJHQJUWWWHBQN-LSDHHAIUSA-N 2 0 316.436 2.997 20 0 DFADRP O=C(Nc1ccc(C[NH2+][C@H]2CCC[NH2+]CC2)cc1)c1cccnc1 ZINC000515413340 300305652 /nfs/dbraw/zinc/30/56/52/300305652.db2.gz SOLCUCIAUCRMRV-KRWDZBQOSA-N 2 0 324.428 2.566 20 0 DFADRP C[C@H]([NH2+]C[C@H](c1c(F)cccc1F)N(C)C)[C@@H]1CCC[NH2+]C1 ZINC000516273767 300337950 /nfs/dbraw/zinc/33/79/50/300337950.db2.gz QJIQFSQBIDSOMD-WOSRLPQWSA-N 2 0 311.420 2.545 20 0 DFADRP COc1ccc([C@H](NCC2([NH3+])CCCCC2)[C@@H]2CCC[NH2+]2)cc1 ZINC000516449631 300342924 /nfs/dbraw/zinc/34/29/24/300342924.db2.gz ADVTURCZTIVKCX-ROUUACIJSA-N 2 0 317.477 2.740 20 0 DFADRP [NH3+][C@H]1CCC[C@H](C[NH2+]Cc2c(C3CC3)nc3sccn23)C1 ZINC000516551187 300348214 /nfs/dbraw/zinc/34/82/14/300348214.db2.gz URAXDZTYOONLNL-AAEUAGOBSA-N 2 0 304.463 2.880 20 0 DFADRP CC[NH2+]CCCNc1cc(N[C@H]2CCCO[C@H]2C(C)C)ncn1 ZINC000517020334 300377521 /nfs/dbraw/zinc/37/75/21/300377521.db2.gz ZDOHVYHSVAGTLO-YOEHRIQHSA-N 2 0 321.469 2.504 20 0 DFADRP C[C@@H]([NH2+]CCC[C@H]1CCC[NH2+]1)c1ccc2c(c1)CCC(=O)N2 ZINC000517024161 300377985 /nfs/dbraw/zinc/37/79/85/300377985.db2.gz KUTSRASCAOSPEB-CJNGLKHVSA-N 2 0 301.434 2.754 20 0 DFADRP CC(C)[NH2+]CCCN[C@@H](c1nccn1C)c1cccc(F)c1 ZINC000517024000 300378139 /nfs/dbraw/zinc/37/81/39/300378139.db2.gz LZETUHPYGFZCOF-MRXNPFEDSA-N 2 0 304.413 2.626 20 0 DFADRP Cc1ccc(C[NH2+][C@@H]2CCC[C@@H]([NH3+])C2)c(OC[C@H]2CCOC2)c1 ZINC000517041742 300381025 /nfs/dbraw/zinc/38/10/25/300381025.db2.gz YSSIKYOIEHPZEY-CGTJXYLNSA-N 2 0 318.461 2.770 20 0 DFADRP [NH3+]C1C[C@H]2CCC[C@@H](C1)C2[NH2+]Cc1cc(-n2ccnc2)cs1 ZINC000518726753 300430208 /nfs/dbraw/zinc/43/02/08/300430208.db2.gz WLHKOVWTWYCZCY-HFZWIWRYSA-N 2 0 316.474 2.929 20 0 DFADRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+]Cc1ccc(C(F)F)cc1 ZINC000525992110 300616151 /nfs/dbraw/zinc/61/61/51/300616151.db2.gz QPJJOKXAXDSXEF-CQSZACIVSA-N 2 0 311.420 2.740 20 0 DFADRP CO[C@H](Cc1ccc(F)cc1)C[N@H+](C1CC1)C1CC[NH2+]CC1 ZINC000530206638 301028715 /nfs/dbraw/zinc/02/87/15/301028715.db2.gz MDMPNHICQNKUFG-GOSISDBHSA-N 2 0 306.425 2.600 20 0 DFADRP c1ccc2c(c1)O[C@]1(CC[NH2+]C1)C[C@@H]2[NH2+]CC[C@H]1CCCOC1 ZINC000530206596 301029083 /nfs/dbraw/zinc/02/90/83/301029083.db2.gz AUKYRHSTWFLRBS-HHXXYDBFSA-N 2 0 316.445 2.649 20 0 DFADRP C[C@H]([NH3+])[C@H]1COCC[C@H]1[NH2+]CC1CCc2ccccc2CC1 ZINC000530214328 301029423 /nfs/dbraw/zinc/02/94/23/301029423.db2.gz XTMXYTPVEVKOLO-GDIGMMSISA-N 2 0 302.462 2.524 20 0 DFADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]Cc1ccc2cn(C)nc2c1 ZINC000530219744 301031119 /nfs/dbraw/zinc/03/11/19/301031119.db2.gz QEKRKRBRDSWKEG-PBHICJAKSA-N 2 0 300.450 2.974 20 0 DFADRP CCC(F)(F)C(C)(C)C[NH2+][C@@H]1CCOC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000530219705 301031193 /nfs/dbraw/zinc/03/11/93/301031193.db2.gz QAWBHZLFQHEFMM-MGPQQGTHSA-N 2 0 304.425 2.805 20 0 DFADRP CCOc1ccccc1C[NH+]1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000530247646 301033654 /nfs/dbraw/zinc/03/36/54/301033654.db2.gz BLICSSOVDNTOOZ-SFHVURJKSA-N 2 0 318.461 2.676 20 0 DFADRP C[C@H](Cc1ccccc1)C[NH+]1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000530248319 301033800 /nfs/dbraw/zinc/03/38/00/301033800.db2.gz IUPMQGIIUVDSPT-YLJYHZDGSA-N 2 0 316.489 2.956 20 0 DFADRP c1ccc([C@@H]2C[C@H]2C[NH+]2CCC(CO[C@@H]3CC[NH2+]C3)CC2)cc1 ZINC000530248985 301034041 /nfs/dbraw/zinc/03/40/41/301034041.db2.gz RSGQHVBIJPPOER-ZCNNSNEGSA-N 2 0 314.473 2.881 20 0 DFADRP COc1cc(C[NH+]2CCC(CO[C@H]3CC[NH2+]C3)CC2)ccc1C ZINC000530248790 301034332 /nfs/dbraw/zinc/03/43/32/301034332.db2.gz PBOSGLFVUCAICN-SFHVURJKSA-N 2 0 318.461 2.594 20 0 DFADRP C[C@H]1CCCC[C@H]1[NH+]1CCC([NH2+]CCc2cncn2C)CC1 ZINC000530513255 301052705 /nfs/dbraw/zinc/05/27/05/301052705.db2.gz XNWBXZBJWVWOLJ-MAUKXSAKSA-N 2 0 304.482 2.595 20 0 DFADRP CCN(CC)C(=O)C[C@H](C)[NH2+]CCCC[N@@H+]1CCC[C@H](C)C1 ZINC000531681429 301103745 /nfs/dbraw/zinc/10/37/45/301103745.db2.gz XDRQBSVLPQYTNX-IRXDYDNUSA-N 2 0 311.514 2.735 20 0 DFADRP CC[NH+]1CCN(c2ccc(C[NH2+][C@H](C)c3ccoc3)cn2)CC1 ZINC000531682196 301103819 /nfs/dbraw/zinc/10/38/19/301103819.db2.gz MBFFIVSEYAOLOC-OAHLLOKOSA-N 2 0 314.433 2.667 20 0 DFADRP C[NH+](C)CCN1CCC([NH2+][C@H]2CCc3c2cccc3Cl)CC1 ZINC000531691842 301104246 /nfs/dbraw/zinc/10/42/46/301104246.db2.gz QOIQKLGIWPFRDY-SFHVURJKSA-N 2 0 321.896 2.943 20 0 DFADRP CCC[N@@H+]1CC[C@@H](C[NH2+][C@@H](C)c2ccc3c(c2)CCC(=O)N3)C1 ZINC000531701617 301104755 /nfs/dbraw/zinc/10/47/55/301104755.db2.gz AMEZCBIBKPHRQJ-GJZGRUSLSA-N 2 0 315.461 2.954 20 0 DFADRP COc1cccc(CC[NH2+][C@@H]2C[C@H](C)[N@H+](C)C[C@@H]2C)c1OC ZINC000531955356 301121243 /nfs/dbraw/zinc/12/12/43/301121243.db2.gz OWIWSCRLZBNJNZ-OFQRWUPVSA-N 2 0 306.450 2.565 20 0 DFADRP C[C@@H](C[NH2+][C@@H](CC1CC1)c1ccccc1)N1CC[NH+](C)CC1 ZINC000531959446 301121258 /nfs/dbraw/zinc/12/12/58/301121258.db2.gz WVHPVEKYDXADCV-LPHOPBHVSA-N 2 0 301.478 2.753 20 0 DFADRP C[C@@H]([NH2+]CC1CC[NH+](C)CC1)c1ccc2c(c1)CCC(=O)N2 ZINC000532215083 301136856 /nfs/dbraw/zinc/13/68/56/301136856.db2.gz NHXIUDSXFJEMJG-CYBMUJFWSA-N 2 0 301.434 2.564 20 0 DFADRP C[C@@H]1CC[N@H+](CCN[C@H]2CC[NH+](Cc3ccccc3)C[C@H]2C)C1 ZINC000532239216 301139059 /nfs/dbraw/zinc/13/90/59/301139059.db2.gz KDTJTYWPHZOBOG-GGPKGHCWSA-N 2 0 315.505 2.828 20 0 DFADRP CCN(CC)C(=O)C[C@H](C)[NH2+]CCCC[N@@H+]1CCCC[C@@H]1C ZINC000532459768 301154153 /nfs/dbraw/zinc/15/41/53/301154153.db2.gz HCKGRXBJQOIMKF-IRXDYDNUSA-N 2 0 311.514 2.878 20 0 DFADRP CC(C)(C)[N@@H+]1CCCN(C(=O)[C@@H]2CCC[NH+]2C2CCCC2)CC1 ZINC000533376522 301198491 /nfs/dbraw/zinc/19/84/91/301198491.db2.gz XGLMZDGJFWUSPI-KRWDZBQOSA-N 2 0 321.509 2.726 20 0 DFADRP CC(C)N1C[C@H](C)[C@H]([NH2+]C2CCC(O)(C(F)(F)F)CC2)C1 ZINC000536847833 301291860 /nfs/dbraw/zinc/29/18/60/301291860.db2.gz VXVXSBUWWMHOBR-RJZJGCCBSA-N 2 0 308.388 2.541 20 0 DFADRP C[C@H]1C[C@H]1c1ccc(C[NH2+]CCCC[NH+]2CCN(C)CC2)o1 ZINC000537237840 301296702 /nfs/dbraw/zinc/29/67/02/301296702.db2.gz UCSKTUFANRVGNI-DOTOQJQBSA-N 2 0 305.466 2.520 20 0 DFADRP C[NH+](C)CCOc1ccccc1N1CC[NH+](CC(C)(C)C)CC1 ZINC000537636914 301307026 /nfs/dbraw/zinc/30/70/26/301307026.db2.gz PGXXTMKZGZSOQS-UHFFFAOYSA-N 2 0 319.493 2.795 20 0 DFADRP CCc1ccc(C[N@@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@@H]32)s1 ZINC000539898599 301353319 /nfs/dbraw/zinc/35/33/19/301353319.db2.gz YBZSPUWJVJZRIC-RRQGHBQHSA-N 2 0 308.491 2.994 20 0 DFADRP CC[N@H+](Cc1ccc(C(=O)N(C)CCC[NH+](C)C)cc1)C1CC1 ZINC000540517730 301364522 /nfs/dbraw/zinc/36/45/22/301364522.db2.gz XGGIGOQBMAXLQZ-UHFFFAOYSA-N 2 0 317.477 2.695 20 0 DFADRP COC(=O)[C@@H](C1CC1)[NH+]1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000541057459 301382196 /nfs/dbraw/zinc/38/21/96/301382196.db2.gz LTJUQQOFPPWRRE-MAUKXSAKSA-N 2 0 322.493 2.915 20 0 DFADRP CC[NH+](CC)CCOCC[NH2+]Cc1ccnc2ccccc12 ZINC000541762059 301396929 /nfs/dbraw/zinc/39/69/29/301396929.db2.gz OCYCYUQPCUWLTO-UHFFFAOYSA-N 2 0 301.434 2.683 20 0 DFADRP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+][C@@H]1CCO[C@H](C(C)C)C1 ZINC000543238491 301427238 /nfs/dbraw/zinc/42/72/38/301427238.db2.gz OIMVPPLSSNXKBM-AEFFLSMTSA-N 2 0 314.433 2.869 20 0 DFADRP C[C@H](C[NH2+][C@@H](C)[C@@H]1C[C@H]1c1ccccc1)CN1CC[NH+](C)CC1 ZINC000549611994 301638333 /nfs/dbraw/zinc/63/83/33/301638333.db2.gz SCRLBOJZNFQLKF-UMGGQSCQSA-N 2 0 315.505 2.652 20 0 DFADRP CCc1nc(CC[NH2+]C2CC[NH+](C3CCCCC3)CC2)no1 ZINC000556882611 301818525 /nfs/dbraw/zinc/81/85/25/301818525.db2.gz IBMQZGVLYSLFPY-UHFFFAOYSA-N 2 0 306.454 2.561 20 0 DFADRP C[C@]1(C[NH2+]Cc2ccc(Oc3cnccn3)cc2)CCC[NH2+]C1 ZINC000562746118 301998082 /nfs/dbraw/zinc/99/80/82/301998082.db2.gz YOQJIBFJLGVZJN-SFHVURJKSA-N 2 0 312.417 2.748 20 0 DFADRP COc1cc2c(cc1C[NH2+]CCCC[N@H+](C)C1CC1)O[C@@H](C)C2 ZINC000562803603 302004161 /nfs/dbraw/zinc/00/41/61/302004161.db2.gz PTDNKPGRJUITBM-AWEZNQCLSA-N 2 0 318.461 2.983 20 0 DFADRP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1[NH2+]Cc1cccc(-c2ccccn2)c1 ZINC000562959513 302018067 /nfs/dbraw/zinc/01/80/67/302018067.db2.gz WBZVEEUKTKFMHT-FNHZYXHNSA-N 2 0 311.429 2.591 20 0 DFADRP CC1CC[NH+](C2CCC([NH2+]C[C@@H](O)C(F)(F)F)CC2)CC1 ZINC000562995795 302022758 /nfs/dbraw/zinc/02/27/58/302022758.db2.gz FHGSZKUISBKNNP-JXQTWKCFSA-N 2 0 308.388 2.542 20 0 DFADRP CC(C)CC[N@@H+]1Cc2cccc(NC(=O)[C@@H]3CC[NH2+][C@@H]3C)c2C1 ZINC000563203135 302048513 /nfs/dbraw/zinc/04/85/13/302048513.db2.gz OHAGAQGARSMBPH-GDBMZVCRSA-N 2 0 315.461 2.985 20 0 DFADRP Cn1cncc1CCCN1CCOC[C@@H]1c1ccc(F)cc1 ZINC000563367217 302067188 /nfs/dbraw/zinc/06/71/88/302067188.db2.gz UYKVNMMWAOLDIK-QGZVFWFLSA-N 2 0 303.381 2.565 20 0 DFADRP [NH3+][C@@H]1CCC[C@@H]([NH2+]Cc2ccc(C(=O)N3CCCCC3)cc2)C1 ZINC000563424712 302071280 /nfs/dbraw/zinc/07/12/80/302071280.db2.gz LMBAGNKOSCEUGM-QZTJIDSGSA-N 2 0 315.461 2.672 20 0 DFADRP COc1cc(F)c([C@@H](C)NCc2cnc(C)n2C)cc1OC ZINC000563439897 302073108 /nfs/dbraw/zinc/07/31/08/302073108.db2.gz JHDAYZAJLYKYFS-SNVBAGLBSA-N 2 0 307.369 2.736 20 0 DFADRP CC(C)[C@H]([NH2+]Cc1ccncc1OCCC[NH+](C)C)C1CC1 ZINC000564152516 302120494 /nfs/dbraw/zinc/12/04/94/302120494.db2.gz NSWPVSASZDHUJF-SFHVURJKSA-N 2 0 305.466 2.936 20 0 DFADRP CC1(C)C[NH2+]CC[C@H]1NC(=O)CC[C@H]([NH3+])CC1CCCCC1 ZINC000564441467 302134867 /nfs/dbraw/zinc/13/48/67/302134867.db2.gz GPKNGXDDSXLTCI-JKSUJKDBSA-N 2 0 309.498 2.569 20 0 DFADRP [NH3+]CCC1CC[NH+](Cc2c(C3CC3)nc3sccn23)CC1 ZINC000564459165 302136207 /nfs/dbraw/zinc/13/62/07/302136207.db2.gz ZMPDZNIXBUIWCU-UHFFFAOYSA-N 2 0 304.463 2.834 20 0 DFADRP CC(=O)Nc1ccc(CC[NH2+][C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)cc1 ZINC000564823841 302161202 /nfs/dbraw/zinc/16/12/02/302161202.db2.gz NDGHXDFDQATXJC-GUDVDZBRSA-N 2 0 315.461 2.698 20 0 DFADRP c1cc(OCC[NH+]2CCCCC2)ccc1OCC[C@H]1CC[NH2+]C1 ZINC000564840915 302163085 /nfs/dbraw/zinc/16/30/85/302163085.db2.gz YLQBVJYQEQOYMM-QGZVFWFLSA-N 2 0 318.461 2.930 20 0 DFADRP Cc1ccc(OC[C@@H](O)C[NH2+]C2CCC([NH+](C)C)CC2)c(C)c1 ZINC000564855736 302165233 /nfs/dbraw/zinc/16/52/33/302165233.db2.gz HXONYKWPJSIRGM-ABHNRTSZSA-N 2 0 320.477 2.506 20 0 DFADRP Cc1cccc(-c2n[nH]cc2C[N@@H+]2CC[C@@]3(C2)CCC[NH2+]C3)c1 ZINC000564973458 302178327 /nfs/dbraw/zinc/17/83/27/302178327.db2.gz DRMIWYRXYXQCED-IBGZPJMESA-N 2 0 310.445 2.961 20 0 DFADRP COc1ccc([C@H](C[NH3+])C[N@@H+]2CCC[C@H]2[C@H]2CCCOC2)cc1 ZINC000564989556 302179912 /nfs/dbraw/zinc/17/99/12/302179912.db2.gz RBLDRGMAXLUOOM-SCTDSRPQSA-N 2 0 318.461 2.629 20 0 DFADRP CN1CC[C@H]([NH2+][C@@H]2CCC[C@@H]([NH3+])C2)[C@@H]1c1ccc(Cl)cc1 ZINC000565223990 302209984 /nfs/dbraw/zinc/20/99/84/302209984.db2.gz DYVKKDVNZPDEBP-NCOADZHNSA-N 2 0 307.869 2.945 20 0 DFADRP [NH3+]Cc1ccc(C[NH2+]C2CCN(Cc3ccccc3)CC2)cc1 ZINC000565481043 302226967 /nfs/dbraw/zinc/22/69/67/302226967.db2.gz MOUBTDUBDLVHOE-UHFFFAOYSA-N 2 0 309.457 2.900 20 0 DFADRP CC(C)(C)c1cccc(OCC[N@@H+]2CC[C@@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000565540392 302228979 /nfs/dbraw/zinc/22/89/79/302228979.db2.gz TVWADZVJOAWDBT-HZPDHXFCSA-N 2 0 302.462 2.904 20 0 DFADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+][C@@H]1CCCC12CCOCC2 ZINC000565827555 302244021 /nfs/dbraw/zinc/24/40/21/302244021.db2.gz BIXYFYZUJJPSMX-RHSMWYFYSA-N 2 0 303.450 2.849 20 0 DFADRP [NH3+][C@H]1CCC[C@@H]([NH2+]Cc2ccc(NC(=O)c3cccnc3)cc2)C1 ZINC000566020538 302254134 /nfs/dbraw/zinc/25/41/34/302254134.db2.gz TZYOLWWKXSQHHY-FUHWJXTLSA-N 2 0 324.428 2.693 20 0 DFADRP [NH3+]C[C@@H]1CCC[C@H]1[NH2+]CCc1nc(-c2cccc(Cl)c2)no1 ZINC000566091204 302258547 /nfs/dbraw/zinc/25/85/47/302258547.db2.gz ARWCYZLVKKZCPN-GXTWGEPZSA-N 2 0 320.824 2.650 20 0 DFADRP C[C@H](CNC(=O)CC[C@@H]([NH3+])c1ccccc1)[N@@H+]1CCCC[C@H]1C ZINC000566289371 302274972 /nfs/dbraw/zinc/27/49/72/302274972.db2.gz STEWYZFSSRWLLT-JFIYKMOQSA-N 2 0 317.477 2.846 20 0 DFADRP Cc1ccc(C[NH+]2CCC(N3CCOC[C@H]3C)CC2)cc1C ZINC000566425783 302285015 /nfs/dbraw/zinc/28/50/15/302285015.db2.gz GXWPFTCWHKAOKA-QGZVFWFLSA-N 2 0 302.462 2.989 20 0 DFADRP CC[NH+](CC)[C@H](CN[C@H]1CCC[C@@H]([NH3+])C1)c1cccc(OC)c1 ZINC000567406963 302357079 /nfs/dbraw/zinc/35/70/79/302357079.db2.gz XUHPFOZTIJGWQM-ZIFCJYIRSA-N 2 0 319.493 2.938 20 0 DFADRP C[C@H]([NH2+]CCc1cccc(C(F)(F)F)n1)[C@H]1CCC[NH2+]C1 ZINC000567490147 302364027 /nfs/dbraw/zinc/36/40/27/302364027.db2.gz VVCTVFRSGZHEJQ-RYUDHWBXSA-N 2 0 301.356 2.621 20 0 DFADRP CC(C)NC(=O)[C@@H]1CCC[C@H]([NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)C1 ZINC000567641482 302376094 /nfs/dbraw/zinc/37/60/94/302376094.db2.gz BKHNWDRXGZTCGL-MDMSPXHWSA-N 2 0 321.509 2.580 20 0 DFADRP C[C@H]1CCCC[C@H]1C(=O)Nc1c[nH+]ccc1N1CCN(C)CC1 ZINC000567687346 302379920 /nfs/dbraw/zinc/37/99/20/302379920.db2.gz AVKRDVYYAKKTIL-LSDHHAIUSA-N 2 0 316.449 2.598 20 0 DFADRP CC(C)[NH2+]CCCN[C@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000567723917 302384332 /nfs/dbraw/zinc/38/43/32/302384332.db2.gz BHFYQLBGNXNHNO-IEBWSBKVSA-N 3 0 303.494 2.875 20 0 DFADRP CCCC[N@H+](C)C[C@H](C)NC(=O)CC[C@H]([NH3+])c1ccccc1 ZINC000567825212 302390578 /nfs/dbraw/zinc/39/05/78/302390578.db2.gz BKBJYCBWWDDECL-RDJZCZTQSA-N 2 0 305.466 2.703 20 0 DFADRP C[C@H]([NH2+]Cc1ccnc(N2CCCCC2)c1)[C@@H]1CCC[NH2+]C1 ZINC000568617101 302463517 /nfs/dbraw/zinc/46/35/17/302463517.db2.gz GRQUWGILFWFWGD-DOTOQJQBSA-N 2 0 302.466 2.550 20 0 DFADRP C[C@H]([NH2+]Cc1ccnc(N2CCCCC2)c1)[C@H]1CCC[NH2+]C1 ZINC000568617103 302463567 /nfs/dbraw/zinc/46/35/67/302463567.db2.gz GRQUWGILFWFWGD-RDJZCZTQSA-N 2 0 302.466 2.550 20 0 DFADRP [NH3+][C@H]1CCC[C@H]([NH2+]CCc2nc(-c3ccc(Cl)cc3)no2)C1 ZINC000568768004 302477162 /nfs/dbraw/zinc/47/71/62/302477162.db2.gz CXKWVYNWUGMMBG-KBPBESRZSA-N 2 0 320.824 2.792 20 0 DFADRP CC[NH+](CC)[C@H](CNC(=O)c1ccccc1CC[NH3+])CC(C)C ZINC000570524446 302578140 /nfs/dbraw/zinc/57/81/40/302578140.db2.gz DWWXHPNJYWGVIR-KRWDZBQOSA-N 2 0 319.493 2.674 20 0 DFADRP [NH3+]C[C@H]1CC[C@H](C[NH2+]C2CCC(O)(C(F)(F)F)CC2)CC1 ZINC000571550706 302622785 /nfs/dbraw/zinc/62/27/85/302622785.db2.gz RANMWFFPORTECY-HXZBBRIXSA-N 2 0 308.388 2.577 20 0 DFADRP Cc1ccc2[nH+]ccc(N3CCC([C@@H]4OCC[C@H]4[NH3+])CC3)c2c1 ZINC000572348444 302656613 /nfs/dbraw/zinc/65/66/13/302656613.db2.gz LDEPOELQTNAGSV-APWZRJJASA-N 2 0 311.429 2.876 20 0 DFADRP [NH3+][C@@H](CCC(=O)N1CC[NH2+]C[C@@H]1c1ccccc1)c1ccccc1 ZINC000572976471 302687182 /nfs/dbraw/zinc/68/71/82/302687182.db2.gz VZYIRXBFDVEFTF-RBUKOAKNSA-N 2 0 323.440 2.640 20 0 DFADRP [NH3+]CCC1CC[NH+](Cc2cnc(-c3ccccn3)s2)CC1 ZINC000573494467 302707753 /nfs/dbraw/zinc/70/77/53/302707753.db2.gz HFXHNINNAAAWEJ-UHFFFAOYSA-N 2 0 302.447 2.766 20 0 DFADRP Cc1ccc(C)c(NC(=O)[C@@H](C)[NH+]2CCC(CC[NH3+])CC2)c1 ZINC000573927309 302731187 /nfs/dbraw/zinc/73/11/87/302731187.db2.gz KINFYOHCMDGTHJ-OAHLLOKOSA-N 2 0 303.450 2.691 20 0 DFADRP CCC1(CC)[C@@H]([NH2+]C2CC[NH+](CCCOC)CC2)C[C@@H]1OC ZINC000181661193 316067076 /nfs/dbraw/zinc/06/70/76/316067076.db2.gz LZYBYIGRWDVCQA-IRXDYDNUSA-N 2 0 312.498 2.671 20 0 DFADRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@@H]1C[C@H](OCC)C12CCCC2 ZINC000181875452 316076194 /nfs/dbraw/zinc/07/61/94/316076194.db2.gz LEURMSKCSJIKKW-ZACQAIPSSA-N 2 0 312.498 2.671 20 0 DFADRP C[C@H](C[NH2+][C@@H]1CCCc2cc(F)ccc21)CN1CCOCC1 ZINC000182999902 316126228 /nfs/dbraw/zinc/12/62/28/316126228.db2.gz ZJXAKMCYOSRYRO-RDTXWAMCSA-N 2 0 306.425 2.761 20 0 DFADRP C[C@H]([NH2+]CCCC[N@@H+]1CCC[C@@H]1CO)c1cccc(F)c1F ZINC000183262469 316135421 /nfs/dbraw/zinc/13/54/21/316135421.db2.gz NYZZOWZQTWQYMX-UONOGXRCSA-N 2 0 312.404 2.852 20 0 DFADRP C[C@@H](NCC[NH+]1CCC(C)CC1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185686655 316189942 /nfs/dbraw/zinc/18/99/42/316189942.db2.gz WUECUVXKHWAMCQ-QZTJIDSGSA-N 2 0 307.526 2.961 20 0 DFADRP CC(C)N1CCC[C@@H]([NH2+][C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)C1=O ZINC000185739829 316191462 /nfs/dbraw/zinc/19/14/62/316191462.db2.gz ACDIKZFXLIELPR-LZLYRXPVSA-N 2 0 321.509 2.628 20 0 DFADRP CC1(C)CC[C@H](CNc2ncnc3c2cnn3-c2ccncc2)O1 ZINC000186004608 316195539 /nfs/dbraw/zinc/19/55/39/316195539.db2.gz HVSVKPSSSDYHJN-CYBMUJFWSA-N 2 0 324.388 2.580 20 0 DFADRP CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]([NH2+][C@H]2CCN(C3CC3)C2)C1 ZINC000299983777 316236028 /nfs/dbraw/zinc/23/60/28/316236028.db2.gz FSIQDTISHMIVSJ-ZNMIVQPWSA-N 2 0 323.481 2.649 20 0 DFADRP COc1cc2c(cc1C[N@@H+]1CCC[C@H](CC[NH3+])C1)O[C@H](C)C2 ZINC000317068393 316247340 /nfs/dbraw/zinc/24/73/40/316247340.db2.gz ZJTOESVPZZCNPJ-ZIAGYGMSSA-N 2 0 304.434 2.579 20 0 DFADRP Cc1cc(C)c([C@H](C)[NH+]2CCN([C@@H]3CC[NH2+]C3)CC2)c(C)c1 ZINC000319119806 316250236 /nfs/dbraw/zinc/25/02/36/316250236.db2.gz UOAABROFKIGCDL-ZWKOTPCHSA-N 2 0 301.478 2.652 20 0 DFADRP C[NH+](C)Cc1ccc(NC(=O)[C@@H]([NH3+])CC2CCCCC2)cc1 ZINC000319585193 316251246 /nfs/dbraw/zinc/25/12/46/316251246.db2.gz STEMOINLFQPZRJ-KRWDZBQOSA-N 2 0 303.450 2.984 20 0 DFADRP C[N@H+](C[C@@H]1CC[NH+](Cc2ccccc2)C1)C[C@@H]1CCCC[C@H]1O ZINC000328366767 316263370 /nfs/dbraw/zinc/26/33/70/316263370.db2.gz RFYSSUYOQHNNIB-SLFFLAALSA-N 2 0 316.489 2.991 20 0 DFADRP CC[N@@H+]1CC[C@@H]([NH2+]Cc2ccc(NCCOC)cc2)[C@@H](C)C1 ZINC000347308765 316319876 /nfs/dbraw/zinc/31/98/76/316319876.db2.gz JRVZFCZSEWIVFF-MAUKXSAKSA-N 2 0 305.466 2.565 20 0 DFADRP C[N@@H+]1CC[C@@H](c2nc(-c3ccc(C[NH+]4CCCC4)cc3)no2)C1 ZINC000349930579 316371411 /nfs/dbraw/zinc/37/14/11/316371411.db2.gz XKQPHYGCNDTIQL-MRXNPFEDSA-N 2 0 312.417 2.752 20 0 DFADRP COc1ccc(C[NH2+][C@H]2CCC[C@@H]2C[NH3+])cc1Br ZINC000414785903 316655702 /nfs/dbraw/zinc/65/57/02/316655702.db2.gz ABUXOHOHNLGDKB-YPMHNXCESA-N 2 0 313.239 2.675 20 0 DFADRP CCOc1cc(C[NH2+][C@H]2CCC[C@H]2C[NH3+])ccc1OC(F)F ZINC000414788641 316657554 /nfs/dbraw/zinc/65/75/54/316657554.db2.gz DROLWSMRUBNGGO-STQMWFEESA-N 2 0 314.376 2.904 20 0 DFADRP COc1cc(C[NH2+][C@@H]2CCC[C@@H]2C[NH3+])c(SC)cc1OC ZINC000414792477 316658925 /nfs/dbraw/zinc/65/89/25/316658925.db2.gz IYRHNSHGVNZDKZ-DGCLKSJQSA-N 2 0 310.463 2.643 20 0 DFADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccc(Oc2cnccn2)cc1 ZINC000414792955 316659706 /nfs/dbraw/zinc/65/97/06/316659706.db2.gz CUFUQGKDVXBWRP-RDJZCZTQSA-N 2 0 312.417 2.876 20 0 DFADRP Cn1c2ccc(Cl)cc2nc1C[NH2+][C@@H]1CCCC[C@@H]1C[NH3+] ZINC000414798483 316661893 /nfs/dbraw/zinc/66/18/93/316661893.db2.gz JIAAXOJHDUCAMA-DGCLKSJQSA-N 2 0 306.841 2.834 20 0 DFADRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@H](C)C1(OC)CCCCC1 ZINC000421828237 316770693 /nfs/dbraw/zinc/77/06/93/316770693.db2.gz BSYKVGOJBBJLEN-HZPDHXFCSA-N 2 0 300.487 2.671 20 0 DFADRP C[C@H]([NH2+]C1CCC([NH+](C)C)CC1)c1ccc(C(=O)N(C)C)cc1 ZINC000421872708 316779445 /nfs/dbraw/zinc/77/94/45/316779445.db2.gz HBRASRHDZQQIQG-NNGSBXSVSA-N 2 0 317.477 2.912 20 0 DFADRP CC[C@H]([NH2+]CC(=O)NCC[NH+]1CCCCCC1)c1ccccc1 ZINC000431108057 316859238 /nfs/dbraw/zinc/85/92/38/316859238.db2.gz SSABDUBTNCQIRQ-SFHVURJKSA-N 2 0 317.477 2.720 20 0 DFADRP CC[C@H](NC(=O)CCC[NH+]1CCC([NH3+])CC1)c1ccc(C)cc1 ZINC000433142316 316880674 /nfs/dbraw/zinc/88/06/74/316880674.db2.gz SWPSOZGOSULQAJ-SFHVURJKSA-N 2 0 317.477 2.766 20 0 DFADRP Cc1cccc(C(C)(C)NC(=O)CCC[NH+]2CCC([NH3+])CC2)c1 ZINC000433165706 316884974 /nfs/dbraw/zinc/88/49/74/316884974.db2.gz CSLDZIVJAHAZAX-UHFFFAOYSA-N 2 0 317.477 2.550 20 0 DFADRP CC[C@H]([NH2+]C1CC[NH+]([C@@H](C)Cc2ccccc2)CC1)[C@H](C)O ZINC000449541683 317039127 /nfs/dbraw/zinc/03/91/27/317039127.db2.gz KSYVWGQPZDLEBA-BXWFABGCSA-N 2 0 304.478 2.831 20 0 DFADRP CC[C@H]([NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]12)[C@@H](C)O ZINC000449546530 317040074 /nfs/dbraw/zinc/04/00/74/317040074.db2.gz WAILYJHITWEOCJ-GYFISPQKSA-N 2 0 302.462 2.646 20 0 DFADRP O=C(Nc1ccc2c(c1)C[NH2+]C2)[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000449667099 317049392 /nfs/dbraw/zinc/04/93/92/317049392.db2.gz FQLYPXQDOGTSNA-LJQANCHMSA-N 2 0 321.424 2.893 20 0 DFADRP CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCCC[NH+]2C2CCCC2)C1 ZINC000450097939 317059387 /nfs/dbraw/zinc/05/93/87/317059387.db2.gz RQZDFGOLPGDWOI-NXHRZFHOSA-N 2 0 321.509 2.628 20 0 DFADRP CC[NH+]1CCN([C@@H]2CC[N@H+](CC/C=C\c3ccccc3)C2)CC1 ZINC000450384497 317088597 /nfs/dbraw/zinc/08/85/97/317088597.db2.gz BOFAARXQOBEEPG-ATYVUACHSA-N 2 0 313.489 2.802 20 0 DFADRP CCc1cc(N2CC[C@@H](OCC[NH+]3CCCCC3)C2)cc[nH+]1 ZINC000450393724 317089286 /nfs/dbraw/zinc/08/92/86/317089286.db2.gz QTNCPYPXWCILOY-GOSISDBHSA-N 2 0 303.450 2.725 20 0 DFADRP COC1([C@H](C)[NH2+]CCCC[N@@H+]2CCC[C@@H](C)C2)CCOCC1 ZINC000453062814 317157835 /nfs/dbraw/zinc/15/78/35/317157835.db2.gz QQPSYQFXWYFQFN-SJORKVTESA-N 2 0 312.498 2.672 20 0 DFADRP C[C@H](C[NH2+][C@@H]1CC[C@@H](C)c2ccsc21)N1CC[NH+](C)CC1 ZINC000453095851 317161803 /nfs/dbraw/zinc/16/18/03/317161803.db2.gz HMUFRMCRXXJINP-IIAWOOMASA-N 2 0 307.507 2.912 20 0 DFADRP CCC[C@H]([NH2+]CCCN1CCC[C@H]1C(=O)N(C)C)C(C)(C)C ZINC000453100168 317162024 /nfs/dbraw/zinc/16/20/24/317162024.db2.gz VFLMHSHMKLUYAG-HOTGVXAUSA-N 2 0 311.514 2.734 20 0 DFADRP CC[C@H]([NH2+]CCCC[NH+]1CCN(CC)CC1)c1ccncc1 ZINC000453101111 317162101 /nfs/dbraw/zinc/16/21/01/317162101.db2.gz YTUNXAZGLXTZDE-SFHVURJKSA-N 2 0 304.482 2.540 20 0 DFADRP CC[C@H]([NH2+]C1CC[NH+](C[C@H]2CCOC2)CC1)c1ccncc1 ZINC000453106440 317163573 /nfs/dbraw/zinc/16/35/73/317163573.db2.gz DKMPIQNVPFEWIV-QAPCUYQASA-N 2 0 303.450 2.623 20 0 DFADRP CCO[C@@H](CC[NH+](C)C)C[NH2+]C1CCc2ccccc2CC1 ZINC000453140060 317165047 /nfs/dbraw/zinc/16/50/47/317165047.db2.gz XDNYBTZDGIWFHY-IBGZPJMESA-N 2 0 304.478 2.880 20 0 DFADRP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@@H]1CCC[C@H]1O ZINC000453364983 317180632 /nfs/dbraw/zinc/18/06/32/317180632.db2.gz CHFLDYRDHPIMHC-DSLXNQLJSA-N 2 0 302.462 2.648 20 0 DFADRP Cn1c2ccc(C[NH2+]CCCC[N@H+](C)C3CC3)cc2sc1=O ZINC000453593078 317192991 /nfs/dbraw/zinc/19/29/91/317192991.db2.gz GEKFFTUXVOKIKV-UHFFFAOYSA-N 2 0 319.474 2.564 20 0 DFADRP C[C@H](CC[NH+](C)C)NC(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C ZINC000455944611 317215277 /nfs/dbraw/zinc/21/52/77/317215277.db2.gz VQLXOMDVCSNHCH-CXAGYDPISA-N 2 0 318.465 2.697 20 0 DFADRP C[C@H]1C[N@H+](C)C[C@H]1C(=O)N1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC000456705641 317244881 /nfs/dbraw/zinc/24/48/81/317244881.db2.gz IHAZKHGFVBRMFM-JKSUJKDBSA-N 2 0 323.525 2.543 20 0 DFADRP Cn1cncc1CC[N@@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000459334145 317320150 /nfs/dbraw/zinc/32/01/50/317320150.db2.gz FJGWXUTTZHDEBW-QGZVFWFLSA-N 2 0 304.482 2.551 20 0 DFADRP C[C@H]1C[C@@H](C[N@H+]2C[C@@H]3C[NH+](Cc4ccccc4)C[C@@H]3C2)CCO1 ZINC000471000728 317332984 /nfs/dbraw/zinc/33/29/84/317332984.db2.gz ITOFRRGFWQDWFV-FRYIKTPZSA-N 2 0 314.473 2.865 20 0 DFADRP C[C@@H]1CSCC[NH+](C/C=C\C[N@H+]2CCSC[C@@H](C)C2)C1 ZINC000488183678 317373223 /nfs/dbraw/zinc/37/32/23/317373223.db2.gz YFNVXGVTBIKNBF-HFZJXRFXSA-N 2 0 314.564 2.912 20 0 DFADRP C[C@@H]1C[C@@H]1C[NH2+]CCCN1CC[N@H+](C)C[C@@H]1c1ccccc1 ZINC000488436964 317393299 /nfs/dbraw/zinc/39/32/99/317393299.db2.gz CNQDKPDLGGPQFA-BHIYHBOVSA-N 2 0 301.478 2.611 20 0 DFADRP CO[C@H](Cc1ccc(F)cc1)C[NH+]1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000530225367 317777041 /nfs/dbraw/zinc/77/70/41/317777041.db2.gz YSEDVRWLBRLAJU-IEBWSBKVSA-N 2 0 320.452 2.705 20 0 DFADRP C[C@@H]1CCCC[C@H]1OCC[NH+]1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000530240392 317777991 /nfs/dbraw/zinc/77/79/91/317777991.db2.gz LJBRNJPLNMWBPG-NZSAHSFTSA-N 2 0 324.509 2.672 20 0 DFADRP C[C@@H](c1cccc(F)c1)[NH+]1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000530242519 317778483 /nfs/dbraw/zinc/77/84/83/317778483.db2.gz UKVFNZVAEBNKHP-KSSFIOAISA-N 2 0 306.425 2.977 20 0 DFADRP [NH3+][C@@H]1CCC[C@H]([NH2+]CCc2coc(-c3ccc(F)cc3)n2)C1 ZINC000565903513 317932841 /nfs/dbraw/zinc/93/28/41/317932841.db2.gz JDQAFYISWJJPDS-CABCVRRESA-N 2 0 303.381 2.883 20 0 DFADRP [NH3+][C@@H]1CCC[C@@H](Nc2cccc(C[NH+]3CCC(CO)CC3)c2)C1 ZINC000566480986 317951635 /nfs/dbraw/zinc/95/16/35/317951635.db2.gz DFJKWDIQZIMMFP-IEBWSBKVSA-N 2 0 317.477 2.573 20 0 DFADRP CC[NH+]1CCC(CNC(=O)C[C@@H](c2ccccc2)[NH+](C)C)CC1 ZINC000568846475 317966166 /nfs/dbraw/zinc/96/61/66/317966166.db2.gz WMIQHYDUWLMXNB-SFHVURJKSA-N 2 0 317.477 2.528 20 0 DFADRP COc1cccc(CC[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)c1OC ZINC000570953594 317972578 /nfs/dbraw/zinc/97/25/78/317972578.db2.gz RVKGAYXXINOMLT-BBWFWOEESA-N 2 0 318.461 2.757 20 0 DFADRP C[C@@H]([NH2+]CC1(C)CC[NH2+]CC1)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000572868775 318006481 /nfs/dbraw/zinc/00/64/81/318006481.db2.gz CSJUAIYZNDBVDU-CYBMUJFWSA-N 2 0 315.461 2.957 20 0 DFADRP CC1=C[C@@H](C)C[C@@H](C[NH2+][C@@H](CC(C)C)C(=O)NCC[NH+](C)C)C1 ZINC000573409430 318018553 /nfs/dbraw/zinc/01/85/53/318018553.db2.gz OHHJUDODSJFOHZ-NXHRZFHOSA-N 2 0 323.525 2.661 20 0 DFADRP Fc1ccc([C@@H]([NH2+]CC[C@@H]2CCC[NH2+]C2)c2ncc[nH]2)cc1 ZINC000573555738 318021745 /nfs/dbraw/zinc/02/17/45/318021745.db2.gz YLQODQNCWXQVSX-XJKSGUPXSA-N 2 0 302.397 2.618 20 0 DFADRP CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)CC[C@@H]([NH3+])c1ccccc1 ZINC000574630789 318029346 /nfs/dbraw/zinc/02/93/46/318029346.db2.gz WXTPNFRQUBLXMN-FGTMMUONSA-N 2 0 315.461 2.552 20 0 DFADRP C[C@@H]([NH2+]CC[C@H]1CC[NH2+]C1)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000574683296 318033083 /nfs/dbraw/zinc/03/30/83/318033083.db2.gz BXARVNTVQCBPPX-CHWSQXEVSA-N 2 0 301.434 2.567 20 0 DFADRP C[C@@H]([NH2+]Cc1nnc(C2CC[NH2+]CC2)[nH]1)[C@H](C)C1CCCCC1 ZINC000574803640 318041055 /nfs/dbraw/zinc/04/10/55/318041055.db2.gz OTIPQQUIKNUCSO-UONOGXRCSA-N 2 0 319.497 2.966 20 0 DFADRP CCC[C@@](C)([NH3+])C(=O)NC[C@H](c1ccc(Cl)cc1)[NH+](C)C ZINC000574808312 318041688 /nfs/dbraw/zinc/04/16/88/318041688.db2.gz AFDNHQZCSRUDJH-GDBMZVCRSA-N 2 0 311.857 2.576 20 0 DFADRP C[C@H]1CCCC[N@@H+]1CCCC[NH2+]C[C@H](O)Cc1ccc(F)cc1 ZINC000574868942 318045872 /nfs/dbraw/zinc/04/58/72/318045872.db2.gz FNJUUIMHLQAJML-QFBILLFUSA-N 2 0 322.468 2.973 20 0 DFADRP CC1CC[NH+](Cc2ccccc2C[NH2+]CC2(O)CCC2)CC1 ZINC000575116460 318063891 /nfs/dbraw/zinc/06/38/91/318063891.db2.gz AGVDOLAPODVGCO-UHFFFAOYSA-N 2 0 302.462 2.923 20 0 DFADRP CC[NH2+]CCC[NH2+][C@@H](C)c1ccc(OCc2nccn2C)cc1 ZINC000575114921 318064048 /nfs/dbraw/zinc/06/40/48/318064048.db2.gz KVVZYBMGUVKPQX-HNNXBMFYSA-N 2 0 316.449 2.649 20 0 DFADRP CC(C)[N@@H+]1CC[C@@H](CNC(=O)C(C)(C)[C@H]([NH3+])c2ccccc2)C1 ZINC000575984656 318096114 /nfs/dbraw/zinc/09/61/14/318096114.db2.gz BRLASLJXOJMYOF-DOTOQJQBSA-N 2 0 317.477 2.559 20 0 DFADRP CC[N@H+](C)C[C@H](O)C[NH+]1CCC(c2c[nH]c3ccccc32)CC1 ZINC000576456120 318127121 /nfs/dbraw/zinc/12/71/21/318127121.db2.gz WYOABEXNCVXGHK-INIZCTEOSA-N 2 0 315.461 2.660 20 0 DFADRP C[C@@H]1C[C@@H](C)C[NH+](CCCC[NH2+]C[C@H](O)Cc2ccccc2)C1 ZINC000576457224 318127602 /nfs/dbraw/zinc/12/76/02/318127602.db2.gz AVUYPYQOXMLQAO-QWFCFKBJSA-N 2 0 318.505 2.938 20 0 DFADRP [NH3+][C@@H]1CCC[C@H]([NH2+][C@@H](CO)c2ccc(C(F)(F)F)cc2)C1 ZINC000576480613 318129727 /nfs/dbraw/zinc/12/97/27/318129727.db2.gz ZAIIQAAXQKBGLQ-RDBSUJKOSA-N 2 0 302.340 2.598 20 0 DFADRP CCOc1cccc2cc([C@H](C)NC[C@H]3C[NH2+]CCCO3)oc21 ZINC000576695576 318143621 /nfs/dbraw/zinc/14/36/21/318143621.db2.gz NOXBBPFTQCLWLM-DZGCQCFKSA-N 2 0 318.417 2.861 20 0 DFADRP CC[NH+]1CCN(CC(C)(C)[NH2+]Cc2ccc3[nH]ccc3c2)CC1 ZINC000576886046 318157013 /nfs/dbraw/zinc/15/70/13/318157013.db2.gz GPNAIYJVXQNDPX-UHFFFAOYSA-N 2 0 314.477 2.674 20 0 DFADRP C[C@H](CC(=O)Nc1cccc(Cl)c1)[NH2+]CC1=CC[NH2+]CC1 ZINC000576976550 318163142 /nfs/dbraw/zinc/16/31/42/318163142.db2.gz CDOWUNJLOHVWPN-GFCCVEGCSA-N 2 0 307.825 2.566 20 0 DFADRP CC[NH+](CC)CCSCC(=O)Nc1ccccc1C[NH+](C)C ZINC000577001710 318165103 /nfs/dbraw/zinc/16/51/03/318165103.db2.gz FKYJHACNCVCBGG-UHFFFAOYSA-N 2 0 323.506 2.762 20 0 DFADRP CN(CCC[NH+](C)C)Cc1cc(Cl)c2c(c1)OCCCO2 ZINC000577026721 318165964 /nfs/dbraw/zinc/16/59/64/318165964.db2.gz YBEBALIEFCZEKZ-UHFFFAOYSA-N 2 0 312.841 2.885 20 0 DFADRP C[NH+](C)CC[C@@H]([NH2+]C[C@@H](O)Cc1ccc(F)cc1)C(C)(C)C ZINC000577054817 318167927 /nfs/dbraw/zinc/16/79/27/318167927.db2.gz FGBZGAQCSLOTCI-DLBZAZTESA-N 2 0 310.457 2.685 20 0 DFADRP CSC1(C[NH2+]C[C@@H](O)[C@H](C)c2ccccc2)CC[NH+](C)CC1 ZINC000577056742 318168616 /nfs/dbraw/zinc/16/86/16/318168616.db2.gz RNPUHQACSABSGW-NVXWUHKLSA-N 2 0 322.518 2.568 20 0 DFADRP c1c2c(nn1-c1ccccc1)CCC[C@@H]2[NH2+]CC1CC[NH2+]CC1 ZINC000577094608 318170981 /nfs/dbraw/zinc/17/09/81/318170981.db2.gz OIZNSDJZFAUUFU-SFHVURJKSA-N 2 0 310.445 2.839 20 0 DFADRP C[C@@H]([NH2+]CCc1cccc(Br)c1)[C@@H]1CCC[NH2+]C1 ZINC000577161759 318174741 /nfs/dbraw/zinc/17/47/41/318174741.db2.gz QAAARFVOGVOQIQ-TZMCWYRMSA-N 2 0 311.267 2.969 20 0 DFADRP C[C@H](C(=O)N[C@@H](C)c1ccc(Cl)cc1)N1CCC[C@@H](C[NH3+])C1 ZINC000577280760 318182602 /nfs/dbraw/zinc/18/26/02/318182602.db2.gz MPIQHISIULJPQR-MJBXVCDLSA-N 2 0 323.868 2.576 20 0 DFADRP CC[C@@H]1C[N@H+](C[C@H](O)C[NH+](C)CC)CC[C@@H]1c1ccccc1 ZINC000577454582 318193260 /nfs/dbraw/zinc/19/32/60/318193260.db2.gz NRJKOJKMFBTEHW-QRQLOZEOSA-N 2 0 304.478 2.815 20 0 DFADRP C[NH+](C)Cc1ccc(C[NH2+]C[C@@H](O)C2CCCCC2)cc1F ZINC000577484471 318195896 /nfs/dbraw/zinc/19/58/96/318195896.db2.gz ISWVIEXRWWSVPE-GOSISDBHSA-N 2 0 308.441 2.918 20 0 DFADRP [NH3+][C@H]1CCC[C@H]([NH2+]Cc2cccc(NC(=O)c3ccccn3)c2)C1 ZINC000577626661 318206758 /nfs/dbraw/zinc/20/67/58/318206758.db2.gz NSYAQXLCVVHIBW-HOTGVXAUSA-N 2 0 324.428 2.693 20 0 DFADRP [NH3+]C1(C[NH2+][C@@H]2CCC23CCOCC3)C2CC3CC(C2)CC1C3 ZINC000577740297 318213819 /nfs/dbraw/zinc/21/38/19/318213819.db2.gz SCPGZAGQMFZLNU-CMPFZWEDSA-N 2 0 304.478 2.689 20 0 DFADRP C[C@@H]1[C@H]([NH2+]C[C@H]2CCC[N@H+](C)C2)CCCN1Cc1ccccc1 ZINC000577873241 318223713 /nfs/dbraw/zinc/22/37/13/318223713.db2.gz UTKBFSPLTBOTIJ-MISYRCLQSA-N 2 0 315.505 2.971 20 0 DFADRP C[C@@H]1[C@H]([NH2+]C[C@@H]2CCC[N@H+](C)C2)CCCN1Cc1ccccc1 ZINC000577873243 318223813 /nfs/dbraw/zinc/22/38/13/318223813.db2.gz UTKBFSPLTBOTIJ-YZGWKJHDSA-N 2 0 315.505 2.971 20 0 DFADRP COCC1CCC([NH2+]Cc2cn(-c3cc[nH+]cc3)nc2C)CC1 ZINC000577995303 318231082 /nfs/dbraw/zinc/23/10/82/318231082.db2.gz FYVZMMPJYHBBKH-UHFFFAOYSA-N 2 0 314.433 2.871 20 0 DFADRP CC1(C)CC[N@H+](CC(=O)NC2CC[NH+](C3CCCCC3)CC2)C1 ZINC000578081155 318236884 /nfs/dbraw/zinc/23/68/84/318236884.db2.gz MZAXGIYITNXJRM-UHFFFAOYSA-N 2 0 321.509 2.632 20 0 DFADRP C[C@H]1[C@H]([NH2+]CC2CC[NH2+]CC2)CCCN1Cc1ccccc1 ZINC000578230978 318246810 /nfs/dbraw/zinc/24/68/10/318246810.db2.gz JRKXJBUMVHJGTM-QFBILLFUSA-N 2 0 301.478 2.629 20 0 DFADRP c1ccc(CCOCCC[N@@H+]2CC[C@]3(C2)CCC[NH2+]C3)cc1 ZINC000578237530 318247644 /nfs/dbraw/zinc/24/76/44/318247644.db2.gz QLOSAGFTQCIPBC-LJQANCHMSA-N 2 0 302.462 2.711 20 0 DFADRP C[C@H](NC(=O)CCCC[NH+](C)C)[C@H](c1ccccc1)[NH+](C)C ZINC000578568992 318270038 /nfs/dbraw/zinc/27/00/38/318270038.db2.gz FOMKHHTYOBGXGG-MAUKXSAKSA-N 2 0 305.466 2.526 20 0 DFADRP CCO[C@@H]1C[C@@H]1[NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]12 ZINC000578832261 318287448 /nfs/dbraw/zinc/28/74/48/318287448.db2.gz JSXIIOQWNXFGLT-IEWDOMPSSA-N 2 0 300.446 2.664 20 0 DFADRP CCS(=O)(=O)c1ccc([C@H](C)[NH2+][C@@H](C)[C@@H]2CCC[NH2+]C2)cc1 ZINC000578978795 318298916 /nfs/dbraw/zinc/29/89/16/318298916.db2.gz GXBSFXNHZRFXHI-OFQRWUPVSA-N 2 0 324.490 2.519 20 0 DFADRP CCS(=O)(=O)c1ccc([C@H](C)[NH2+][C@H](C)[C@H]2CCC[NH2+]C2)cc1 ZINC000578978794 318299085 /nfs/dbraw/zinc/29/90/85/318299085.db2.gz GXBSFXNHZRFXHI-LZWOXQAQSA-N 2 0 324.490 2.519 20 0 DFADRP C[C@H](c1ccccc1)[C@@H](O)C[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000578981622 318299301 /nfs/dbraw/zinc/29/93/01/318299301.db2.gz PSCGQSYIIJUYGS-IPFAQRCESA-N 2 0 302.462 2.756 20 0 DFADRP CCO[C@@H]1C[C@H]([NH2+]CCC[NH2+]C(C)C)[C@H]1Oc1ccccc1 ZINC000579100083 318307151 /nfs/dbraw/zinc/30/71/51/318307151.db2.gz IHBAVGGEGPWBSZ-RCCFBDPRSA-N 2 0 306.450 2.589 20 0 DFADRP CC1CC[NH+]([C@H](CNC(=O)CCCC[NH3+])c2cccs2)CC1 ZINC000579115988 318308352 /nfs/dbraw/zinc/30/83/52/318308352.db2.gz AFUBJZYMXBAIGX-OAHLLOKOSA-N 2 0 323.506 2.766 20 0 DFADRP Cc1cc(NC(=O)CCCC[NH3+])ccc1OCC[NH+]1CCCC1 ZINC000579469827 318332417 /nfs/dbraw/zinc/33/24/17/318332417.db2.gz IURSXPOOGOJCDZ-UHFFFAOYSA-N 2 0 319.449 2.537 20 0 DFADRP CCOC(=O)[C@@H]1CC[C@H]([NH2+]C[C@H]2CC[N@@H+](C(C)C)C2)C[C@H]1C ZINC000579577881 318339703 /nfs/dbraw/zinc/33/97/03/318339703.db2.gz PSIWQQZCUDIDHW-WCXIOVBPSA-N 2 0 310.482 2.674 20 0 DFADRP Cc1c(Cl)cccc1NC(=O)CC[NH2+][C@H]1CCC[C@H]([NH3+])C1 ZINC000579613344 318343361 /nfs/dbraw/zinc/34/33/61/318343361.db2.gz MCBPVFUYNZPOOI-STQMWFEESA-N 2 0 309.841 2.837 20 0 DFADRP C[C@H](C[N@H+](C)CCCN(C)CC[NH+](C)C)c1ccc(F)cc1 ZINC000580128421 318377052 /nfs/dbraw/zinc/37/70/52/318377052.db2.gz GPTXRUKAODRTOH-MRXNPFEDSA-N 2 0 309.473 2.745 20 0 DFADRP Cc1nc2cc(NC(=O)C[C@@H](C)C3CC[NH2+]CC3)ccc2[nH]1 ZINC000580189199 318382017 /nfs/dbraw/zinc/38/20/17/318382017.db2.gz JJJSWBRHNLHLRT-LLVKDONJSA-N 2 0 300.406 2.836 20 0 DFADRP COc1ccc(OC2CC[NH+](CCC3CC[NH2+]CC3)CC2)cc1 ZINC000580193232 318382207 /nfs/dbraw/zinc/38/22/07/318382207.db2.gz PNFZSBPUIMYMGQ-UHFFFAOYSA-N 2 0 318.461 2.928 20 0 DFADRP c1ccc(COC[C@H]2CC[N@@H+](CC[C@H]3CCC[NH2+]C3)C2)cc1 ZINC000384051501 323305433 /nfs/dbraw/zinc/30/54/33/323305433.db2.gz UDQLTAACVRAHAO-MJGOQNOKSA-N 2 0 302.462 2.915 20 0 DFADRP CN(Cc1ccccc1)C1(C[NH2+]C2CCC([NH3+])CC2)CCC1 ZINC000386794716 323319699 /nfs/dbraw/zinc/31/96/99/323319699.db2.gz ARIMLRSOEBENOL-UHFFFAOYSA-N 2 0 301.478 2.901 20 0 DFADRP C[NH2+][C@@H](CC(C)(C)C)C(=O)N[C@@H](C)C[N@H+](C)Cc1ccccc1 ZINC000387494156 323325656 /nfs/dbraw/zinc/32/56/56/323325656.db2.gz AZVXJSLAKOGOIW-RDJZCZTQSA-N 2 0 319.493 2.647 20 0 DFADRP CCN(C(=O)OC(C)(C)C)[C@H](C)C[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000387678992 323327204 /nfs/dbraw/zinc/32/72/04/323327204.db2.gz RTHCJJZURKMOPG-ZNMIVQPWSA-N 2 0 313.486 2.704 20 0 DFADRP CC(C)CN(CC[NH+](C)C)C(=O)CC[C@@H]([NH3+])c1ccccc1 ZINC000387784804 323327439 /nfs/dbraw/zinc/32/74/39/323327439.db2.gz JJHYXEFAXVYKJZ-QGZVFWFLSA-N 2 0 305.466 2.513 20 0 DFADRP C[C@@H]1CN(Cc2ccccc2)C[C@@H]1[NH2+][C@@H]1CCCC[C@H]1C[NH3+] ZINC000389787632 323337681 /nfs/dbraw/zinc/33/76/81/323337681.db2.gz NBHPZSXGXOVXFL-LULLPPNCSA-N 2 0 301.478 2.614 20 0 DFADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000389849839 323338017 /nfs/dbraw/zinc/33/80/17/323338017.db2.gz UKWYNRNXZZTZJM-MNIJEXPFSA-N 2 0 313.489 2.722 20 0 DFADRP C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000389849841 323338400 /nfs/dbraw/zinc/33/84/00/323338400.db2.gz UKWYNRNXZZTZJM-QFMLELGNSA-N 2 0 313.489 2.722 20 0 DFADRP COc1ccc(C[NH+](C)C)cc1NC(=O)C[C@@H]1CCCC[C@@H]1[NH3+] ZINC000391723561 323346405 /nfs/dbraw/zinc/34/64/05/323346405.db2.gz FBJGETMAVPUDMR-GJZGRUSLSA-N 2 0 319.449 2.603 20 0 DFADRP [NH3+][C@@H]1CCCCCC[C@H]1C(=O)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000580442515 323386170 /nfs/dbraw/zinc/38/61/70/323386170.db2.gz DHPDZAABGHEMIC-KZNAEPCWSA-N 2 0 321.509 2.761 20 0 DFADRP Cc1c([C@H](C)[NH2+]CC2CC[NH2+]CC2)nnn1-c1ccc(C)cc1 ZINC000581185025 323487992 /nfs/dbraw/zinc/48/79/92/323487992.db2.gz CWUKEOCORWVJKT-AWEZNQCLSA-N 2 0 313.449 2.534 20 0 DFADRP Cc1cc(C[NH+](C)C)cc(NC(=O)[C@@H]2C[NH2+]Cc3ccccc32)c1 ZINC000581546895 323538634 /nfs/dbraw/zinc/53/86/34/323538634.db2.gz MYBCAHVTWGDWKF-LJQANCHMSA-N 2 0 323.440 2.882 20 0 DFADRP C[NH+]1CCN(c2cccc(Cl)c2C[NH2+][C@@H]2[C@@H]3CCC[C@@H]32)CC1 ZINC000581678443 323559900 /nfs/dbraw/zinc/55/99/00/323559900.db2.gz ONGWMMJKRGVWET-ZSBFGKGUSA-N 2 0 319.880 2.980 20 0 DFADRP COC[C@](C)(O)C[NH2+]C1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC000582527231 323687436 /nfs/dbraw/zinc/68/74/36/323687436.db2.gz UWTDCGNTIUGUKX-GOSISDBHSA-N 2 0 314.514 2.653 20 0 DFADRP C[C@H]1COCC[N@@H+]1C1CCN(CCc2cccc(F)c2F)CC1 ZINC000584358964 337102339 /nfs/dbraw/zinc/10/23/39/337102339.db2.gz MQTRGQCHJDMTEA-AWEZNQCLSA-N 2 0 324.415 2.692 20 0 DFADRP COc1cccc2c1CC[C@H]([NH2+]Cc1ccc3c[nH+]cn3c1)C2 ZINC000297473457 533870663 /nfs/dbraw/zinc/87/06/63/533870663.db2.gz JBUKXRHODMGLBF-INIZCTEOSA-N 2 0 307.397 2.990 20 0 DFADRP CCCOc1ccc(C[NH2+][C@@H]2CC[N@H+](C)[C@@H]3CCC[C@H]32)cn1 ZINC000367617429 520371827 /nfs/dbraw/zinc/37/18/27/520371827.db2.gz NECVRNCQLGEGHM-GVDBMIGSSA-N 2 0 303.450 2.833 20 0 DFADRP NC(=O)c1c[nH+]ccc1NCc1ccccc1C[NH+]1CCCCC1 ZINC000302020161 534512405 /nfs/dbraw/zinc/51/24/05/534512405.db2.gz HLSRZSQYAJXVGI-UHFFFAOYSA-N 2 0 324.428 2.779 20 0 DFADRP CCC[C@H]([NH3+])C(=O)N1CCC[C@@H]([N@H+](C)Cc2ccccc2)CC1 ZINC000364983611 521107137 /nfs/dbraw/zinc/10/71/37/521107137.db2.gz RRRLOWGTTIBLFE-MSOLQXFVSA-N 2 0 317.477 2.627 20 0 DFADRP CC[NH+]1CCN([C@H](C)C[NH2+][C@@H]2CCSc3ccccc32)CC1 ZINC000155607335 521694613 /nfs/dbraw/zinc/69/46/13/521694613.db2.gz XZFRAKGKDARLQQ-NVXWUHKLSA-N 2 0 319.518 2.839 20 0 DFADRP CC[C@@H](C)NC(=O)CC[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000156497835 522153950 /nfs/dbraw/zinc/15/39/50/522153950.db2.gz SXSYPLBUXBUPMT-OAHLLOKOSA-N 2 0 309.498 2.678 20 0 DFADRP COc1ccc(C[NH2+][C@@H]2CC[N@H+](C)[C@H]3CCC[C@@H]32)cc1OC ZINC000367617320 524086991 /nfs/dbraw/zinc/08/69/91/524086991.db2.gz QIKALVPLUXDERH-OAGGEKHMSA-N 2 0 304.434 2.666 20 0 DFADRP Cc1ccc(C[NH+]2CCC(C[NH+]3C[C@@H](C)O[C@H](C)C3)CC2)nc1 ZINC000158104565 524437133 /nfs/dbraw/zinc/43/71/33/524437133.db2.gz LYOGUQYJZXEMDU-IAGOWNOFSA-N 2 0 317.477 2.711 20 0 DFADRP Cc1ccc(C[NH+]2CCC(CCC[NH+]3CCOCC3)CC2)cn1 ZINC000154764406 524437307 /nfs/dbraw/zinc/43/73/07/524437307.db2.gz ZDHCXEVVXBRLPZ-UHFFFAOYSA-N 2 0 317.477 2.714 20 0 DFADRP Cc1cc(C)n(C[C@H]2CCCC[NH+]2CC[C@@H]2CCC[N@H+]2C)n1 ZINC000371205846 524536551 /nfs/dbraw/zinc/53/65/51/524536551.db2.gz VMJJALJREMXLAV-ZWKOTPCHSA-N 2 0 304.482 2.839 20 0 DFADRP Cc1cc(C)n2c(C[NH2+]CCCCC[NH+]3CCCC3)cnc2n1 ZINC000339498080 524561832 /nfs/dbraw/zinc/56/18/32/524561832.db2.gz OGPFWTLTWGZZTE-UHFFFAOYSA-N 2 0 315.465 2.702 20 0 DFADRP Cc1[nH+]c2ccccc2c(N2CCC[N@@H+]([C@@H](C)CO)CC2)c1C ZINC000364987104 527159345 /nfs/dbraw/zinc/15/93/45/527159345.db2.gz UJZSEEMPWMJIQR-AWEZNQCLSA-N 2 0 313.445 2.745 20 0 DFADRP [NH3+][C@H]1CCC[C@H](C(=O)NC2CC[NH+](CC3CCCCC3)CC2)C1 ZINC000366333516 527405237 /nfs/dbraw/zinc/40/52/37/527405237.db2.gz NPBJKKYEAKJTOJ-IRXDYDNUSA-N 2 0 321.509 2.665 20 0 DFADRP CC(C)[C@H](O)C[N@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000293067129 527729919 /nfs/dbraw/zinc/72/99/19/527729919.db2.gz ZJAMPAKLHXHXSK-GOSISDBHSA-N 2 0 305.466 2.637 20 0 DFADRP CC(C)OCC[N@H+]1C[C@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1 ZINC000310017778 527965663 /nfs/dbraw/zinc/96/56/63/527965663.db2.gz PFBYBKTZSYKSQF-RTBURBONSA-N 2 0 302.462 2.865 20 0 DFADRP CCN(CCC[NH+](CC)CC)C(=O)C[C@H]([NH3+])c1ccccc1 ZINC000319157353 528102349 /nfs/dbraw/zinc/10/23/49/528102349.db2.gz HMGPBHZHFVKBAI-KRWDZBQOSA-N 2 0 305.466 2.657 20 0 DFADRP CC[NH+](CC)CCOc1ccc(C[NH2+]Cc2conc2C)cc1 ZINC000293978103 528151637 /nfs/dbraw/zinc/15/16/37/528151637.db2.gz DNOKTHYJEGKTOY-UHFFFAOYSA-N 2 0 317.433 2.993 20 0 DFADRP CC[NH+](CC)C[C@@H]1CC[N@H+](CCN2CCc3ccccc32)C1 ZINC000292531795 528175367 /nfs/dbraw/zinc/17/53/67/528175367.db2.gz PDFMLISUJRUUPI-KRWDZBQOSA-N 2 0 301.478 2.713 20 0 DFADRP CCOc1cc(C[N@@H+]2CC[C@H](C3CC[NH+](C)CC3)C2)ccc1O ZINC000298159819 528267933 /nfs/dbraw/zinc/26/79/33/528267933.db2.gz SJMKJHCFKNFTDR-KRWDZBQOSA-N 2 0 318.461 2.955 20 0 DFADRP CC(C)[C@@H](C[NH2+]Cc1ccsc1Cl)N1CC[NH+](C)CC1 ZINC000312688304 528463418 /nfs/dbraw/zinc/46/34/18/528463418.db2.gz VLWRGMMIMHMDPF-CQSZACIVSA-N 2 0 315.914 2.763 20 0 DFADRP CCC[NH2+][C@H](C)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000294997701 528556223 /nfs/dbraw/zinc/55/62/23/528556223.db2.gz IBLCWWLJNOXMLC-LZLYRXPVSA-N 2 0 317.477 2.544 20 0 DFADRP CC(C)[C@@H](O)C[N@@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000309747968 528625929 /nfs/dbraw/zinc/62/59/29/528625929.db2.gz YHFAVRGGLYQVLO-IBGZPJMESA-N 2 0 316.489 2.991 20 0 DFADRP CC1(C)CCC[C@@]1(O)C[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000297430016 528977433 /nfs/dbraw/zinc/97/74/33/528977433.db2.gz NDOWICTUWIASGM-GOSISDBHSA-N 2 0 303.450 2.581 20 0 DFADRP CC1(C)CC[C@@H]([NH2+]Cc2ccccc2C[N@@H+]2CC[C@H](O)C2)C1 ZINC000294920966 529028573 /nfs/dbraw/zinc/02/85/73/529028573.db2.gz BLQVRXMZPXZMRJ-MSOLQXFVSA-N 2 0 302.462 2.922 20 0 DFADRP CCC(CC)(C[NH3+])C(=O)N1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000261916247 534929800 /nfs/dbraw/zinc/92/98/00/534929800.db2.gz YWDSOEFGZZTRIL-SJORKVTESA-N 2 0 323.525 2.865 20 0 DFADRP CCCC[C@H]([NH3+])C(=O)NCc1ccccc1C[NH+]1CCCCC1 ZINC000236818809 535046404 /nfs/dbraw/zinc/04/64/04/535046404.db2.gz OOWYNHNEXJAVIC-SFHVURJKSA-N 2 0 317.477 2.806 20 0 DFADRP CC[NH+](CC)Cc1ccccc1C[NH2+][C@@H]1CC[N@H+](C)C[C@@H]1C ZINC000163772288 535612286 /nfs/dbraw/zinc/61/22/86/535612286.db2.gz NACFLYWGMPKBOB-QFBILLFUSA-N 3 0 303.494 2.958 20 0 DFADRP CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)[C@]2(C)CCCC[NH2+]2)C1 ZINC000357798202 535819725 /nfs/dbraw/zinc/81/97/25/535819725.db2.gz RFCSKJMOFFVCGJ-QAPCUYQASA-N 2 0 309.498 2.535 20 0 DFADRP CC[C@H](C)[C@@H]([NH3+])C(=O)NC[C@H](c1ccc(C)cc1)[NH+]1CCCC1 ZINC000262713406 535847311 /nfs/dbraw/zinc/84/73/11/535847311.db2.gz SKDHOPPFXJTJKW-CGTJXYLNSA-N 2 0 317.477 2.622 20 0 DFADRP CO[C@]1(C)CCC[N@H+](Cc2cn(-c3cc[nH+]cc3)nc2C)CC1 ZINC000355602553 536836985 /nfs/dbraw/zinc/83/69/85/536836985.db2.gz VKKGSRIXMUHJAN-GOSISDBHSA-N 2 0 314.433 2.967 20 0 DFADRP CC[NH+](CC)CCOCC[NH2+][C@H]1CCc2c1cc(F)cc2F ZINC000680469524 545499983 /nfs/dbraw/zinc/49/99/83/545499983.db2.gz QACZQJLQGLXBSY-KRWDZBQOSA-N 2 0 312.404 2.900 20 0 DFADRP C[NH+](C)CCOc1ccc(C[NH2+]C[C@H]2CCC(C)(C)O2)cc1 ZINC000681700589 545702726 /nfs/dbraw/zinc/70/27/26/545702726.db2.gz ZNQUEZMHPOREEA-QGZVFWFLSA-N 2 0 306.450 2.674 20 0 DFADRP C[C@@H]([NH2+][C@H]1CCCN(C2CCCCC2)C1=O)C1CC[NH+](C)CC1 ZINC000682376775 545833019 /nfs/dbraw/zinc/83/30/19/545833019.db2.gz HIDWGWHSJTXXBN-QAPCUYQASA-N 2 0 321.509 2.630 20 0 DFADRP C[C@]1(CO)CCC[N@@H+]1Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000682671325 545893459 /nfs/dbraw/zinc/89/34/59/545893459.db2.gz HRPMEAIPUZGBLQ-LJQANCHMSA-N 2 0 318.461 2.508 20 0 DFADRP CCN(CC[NH2+][C@@H](C)C1CC[NH+](C)CC1)CCC(F)(F)F ZINC000683158334 545981966 /nfs/dbraw/zinc/98/19/66/545981966.db2.gz DGVKAHQOAKGFHG-ZDUSSCGKSA-N 2 0 309.420 2.581 20 0 DFADRP CC(C)(C)[C@@H](CO)[NH2+]Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000683708827 546079750 /nfs/dbraw/zinc/07/97/50/546079750.db2.gz SJOKVTIRXMTIAB-GOSISDBHSA-N 2 0 320.477 2.658 20 0 DFADRP C[NH+](C)CC1(C(=O)N2CCC[C@@H]2[C@H]2CCC[N@@H+]2C)CCCCC1 ZINC000683848383 546107941 /nfs/dbraw/zinc/10/79/41/546107941.db2.gz OWLVIJZNBBLWQB-IAGOWNOFSA-N 2 0 321.509 2.584 20 0 DFADRP C[NH+]1CCN(C[C@H]([NH2+]C2CC(C)(C)C2)c2ccccc2)CC1 ZINC000683940371 546125493 /nfs/dbraw/zinc/12/54/93/546125493.db2.gz UCGMKGKOSVWJST-SFHVURJKSA-N 2 0 301.478 2.753 20 0 DFADRP C[C@H]1CC(C[NH2+]Cc2ccc(OCC[NH+](C)C)cc2)C[C@H](C)O1 ZINC000684931832 546304602 /nfs/dbraw/zinc/30/46/02/546304602.db2.gz YBRAZXACTXAWAM-HOTGVXAUSA-N 2 0 320.477 2.920 20 0 DFADRP CN(CCC[NH+]1CCCC1)Cc1ccc(OCC[NH+](C)C)cc1 ZINC000684966704 546310662 /nfs/dbraw/zinc/31/06/62/546310662.db2.gz NAWOBZVLEZCKHP-UHFFFAOYSA-N 2 0 319.493 2.545 20 0 DFADRP C[C@](O)(C[NH+]1CCC(C[NH+]2CCCCCC2)CC1)C(F)(F)F ZINC000685000954 546317578 /nfs/dbraw/zinc/31/75/78/546317578.db2.gz ZHVMQGNZHUZNJE-HNNXBMFYSA-N 2 0 322.415 2.888 20 0 DFADRP C[N@@H+]1CCN(CC[NH2+]CC(C)(C)c2ccccc2)CC1(C)C ZINC000685042680 546322800 /nfs/dbraw/zinc/32/28/00/546322800.db2.gz MBYYBALIFWTAPZ-UHFFFAOYSA-N 2 0 303.494 2.580 20 0 DFADRP CN1CC[NH+](CC2CC[NH+](C/C=C\c3ccccc3)CC2)CC1 ZINC000685455303 546352063 /nfs/dbraw/zinc/35/20/63/546352063.db2.gz SGUJEHQBCKHDRX-YVMONPNESA-N 2 0 313.489 2.659 20 0 DFADRP C[C@H](Cc1ccsc1)[N@H+](C)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000685457667 546353495 /nfs/dbraw/zinc/35/34/95/546353495.db2.gz ITIZIPHRHDRGDR-QAPCUYQASA-N 2 0 321.534 2.779 20 0 DFADRP C[NH+](C)CCCCCCC[NH2+]Cc1cc(-c2nn[nH]n2)cs1 ZINC000821584412 606214386 /nfs/dbraw/zinc/21/43/86/606214386.db2.gz CCBHSDRVCMVJHZ-UHFFFAOYSA-N 2 0 322.482 2.530 20 0 DFADRP C[NH+](C)CCOc1cccc(C[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C2(C)C)c1 ZINC000278259915 214053371 /nfs/dbraw/zinc/05/33/71/214053371.db2.gz NRWSITSIVMQYIA-KSZLIROESA-N 2 0 318.461 2.530 20 0 DFADRP CCC[NH+](CCC)CCCC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000076656722 185030297 /nfs/dbraw/zinc/03/02/97/185030297.db2.gz FCJPSSSUVJOFGM-UHFFFAOYSA-N 2 0 309.498 2.632 20 0 DFADRP C[NH+](C)CCNC(=O)c1ccc(C[NH2+]C2CCCCCC2)cc1 ZINC000076894056 185050609 /nfs/dbraw/zinc/05/06/09/185050609.db2.gz XXZRVCAWMOFVET-UHFFFAOYSA-N 2 0 317.477 2.790 20 0 DFADRP C[NH+](C)CCOc1cc(C[NH2+][C@@H]2CCC[C@@H]3C[C@@]32C)ccn1 ZINC000282017362 282110137 /nfs/dbraw/zinc/11/01/37/282110137.db2.gz DVNBDWNGTWMUID-NUJGCVRESA-N 2 0 303.450 2.690 20 0 DFADRP COc1ccc([C@H](C)[NH2+]CCC[N@@H+]2CCCO[C@@H](C)C2)cc1F ZINC000278459493 214167914 /nfs/dbraw/zinc/16/79/14/214167914.db2.gz JAIMOMLZXPOBJS-GJZGRUSLSA-N 2 0 324.440 2.986 20 0 DFADRP C[NH+](C)CCCOc1ccc(C[NH2+]C[C@H]2CCSC2)cc1 ZINC000278498301 214192419 /nfs/dbraw/zinc/19/24/19/214192419.db2.gz NFJLNOMVPBOMLY-MRXNPFEDSA-N 2 0 308.491 2.860 20 0 DFADRP COc1cc(OC)cc(OCCC[NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)c1 ZINC000181265085 199273636 /nfs/dbraw/zinc/27/36/36/199273636.db2.gz BHLZBYUXSIRBET-CABCVRRESA-N 2 0 322.449 2.545 20 0 DFADRP C[C@@H]([NH2+]CCC[N@@H+]1CCCO[C@H](C)C1)c1ccc2c(c1)OCO2 ZINC000278715486 214347753 /nfs/dbraw/zinc/34/77/53/214347753.db2.gz VTKIMFSKTZGTNG-HUUCEWRRSA-N 2 0 320.433 2.567 20 0 DFADRP C[C@H]([NH2+]CC1CCOCC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000309714445 231102013 /nfs/dbraw/zinc/10/20/13/231102013.db2.gz LFOUIKSXTPJYFT-LPHOPBHVSA-N 2 0 302.462 2.913 20 0 DFADRP CS[C@H]1CN(c2[nH+]ccc3[nH]ccc32)C[C@@H]1[NH+]1CCCC1 ZINC000596195876 398354641 /nfs/dbraw/zinc/35/46/41/398354641.db2.gz PIKZRAVIKLHQGJ-GJZGRUSLSA-N 2 0 302.447 2.579 20 0 DFADRP CC[NH+]1CCN(Cc2ccccc2C[NH2+]CC(C)(C)C)CC1 ZINC000236886709 398364473 /nfs/dbraw/zinc/36/44/73/398364473.db2.gz JHXKYOXFQRYUAR-UHFFFAOYSA-N 2 0 303.494 2.960 20 0 DFADRP Cc1nn(C)c2ncc(C[NH2+]Cc3cccc(C[NH+](C)C)c3)cc12 ZINC000237073963 398366602 /nfs/dbraw/zinc/36/66/02/398366602.db2.gz WQGLIKFWSWQYFT-UHFFFAOYSA-N 2 0 323.444 2.628 20 0 DFADRP [NH3+][C@H](CCC(=O)NCC[NH2+]C1CCCCCC1)c1ccccc1 ZINC000237920195 398375750 /nfs/dbraw/zinc/37/57/50/398375750.db2.gz SKWTUYIAIJHXBN-GOSISDBHSA-N 2 0 317.477 2.895 20 0 DFADRP CC(C)C[C@@H](C)[NH2+]Cc1ccc(C(=O)NCC[NH+](C)C)cc1 ZINC000090038826 185279200 /nfs/dbraw/zinc/27/92/00/185279200.db2.gz WEMOPJFRKQBOBZ-OAHLLOKOSA-N 2 0 305.466 2.502 20 0 DFADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1[NH2+]CCc1nc2cc(F)ccc2n1C ZINC000090044110 185279456 /nfs/dbraw/zinc/27/94/56/185279456.db2.gz UQBVXXCGUDTLJH-IPYPFGDCSA-N 2 0 318.440 2.573 20 0 DFADRP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@@H+]2CC1CCC(F)(F)CC1 ZINC000459374805 299090638 /nfs/dbraw/zinc/09/06/38/299090638.db2.gz YHLRFVXPAHAKET-OAGGEKHMSA-N 2 0 316.436 2.995 20 0 DFADRP C[C@@H]1CCC[N@H+](CCCC[NH2+]Cc2cnc(C3CC3)nc2)C1 ZINC000459378853 299091656 /nfs/dbraw/zinc/09/16/56/299091656.db2.gz ROKGKQAJAZYRAR-OAHLLOKOSA-N 2 0 302.466 2.956 20 0 DFADRP CCO[C@@H]1C[C@H]([NH2+]C[C@H](C)N2CCC[C@H](C)C2)[C@@H]1SC ZINC000459385324 299092266 /nfs/dbraw/zinc/09/22/66/299092266.db2.gz ZWQRISYINXHFSU-GVRJEKJASA-N 2 0 300.512 2.605 20 0 DFADRP Cc1ccc(C[NH+]2CCC(C[NH+]3C[C@@H](C)O[C@H](C)C3)CC2)o1 ZINC000092587124 185327330 /nfs/dbraw/zinc/32/73/30/185327330.db2.gz BCYBEIILIAPHJM-HZPDHXFCSA-N 2 0 306.450 2.909 20 0 DFADRP Cc1ncsc1C[NH+]1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000092587505 185327596 /nfs/dbraw/zinc/32/75/96/185327596.db2.gz KEUVKDGPAXRFSM-OKILXGFUSA-N 2 0 323.506 2.773 20 0 DFADRP C[N@H+](CCC1CCN(c2cc[nH+]cc2)CC1)CCn1cccn1 ZINC000092821017 185344013 /nfs/dbraw/zinc/34/40/13/185344013.db2.gz XMFKLPPMWRIOFB-UHFFFAOYSA-N 2 0 313.449 2.517 20 0 DFADRP CCOCC[N@H+](C)Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000181490124 199305163 /nfs/dbraw/zinc/30/51/63/199305163.db2.gz YGLZICHCRQVRNV-UHFFFAOYSA-N 2 0 319.493 2.685 20 0 DFADRP CN(C)CC[NH+]1CCC(C[NH2+]Cc2ccc(C3CC3)cc2)CC1 ZINC000459410990 299100045 /nfs/dbraw/zinc/10/00/45/299100045.db2.gz PSBYNXVDZYQAKI-UHFFFAOYSA-N 2 0 315.505 2.927 20 0 DFADRP C[C@@H]1C[C@H]([NH2+]C[C@@H](c2ccccc2)C(C)(C)CO)CC[N@@H+]1C ZINC000181555500 199316837 /nfs/dbraw/zinc/31/68/37/199316837.db2.gz AFKIHRLDPSCWNF-NXHRZFHOSA-N 2 0 304.478 2.861 20 0 DFADRP CC1(c2ccccc2)CC([NH2+]CCCC[N@@H+]2CCC[C@@H]2CO)C1 ZINC000459416058 299100948 /nfs/dbraw/zinc/10/09/48/299100948.db2.gz SEKMDXZMMLRKGZ-IOJLRTSASA-N 2 0 316.489 2.933 20 0 DFADRP CC[NH+](CC)CCCC1CC[NH+](CCc2cncn2C)CC1 ZINC000459420949 299102551 /nfs/dbraw/zinc/10/25/51/299102551.db2.gz YHRHDBUXWGCVKW-UHFFFAOYSA-N 2 0 306.498 2.797 20 0 DFADRP CC(C)(C)OC(=O)[C@@H]1CC[C@H]([NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)C1 ZINC000592379373 398419010 /nfs/dbraw/zinc/41/90/10/398419010.db2.gz MNTKZLDTDJXLBL-FXUDXRNXSA-N 2 0 308.466 2.713 20 0 DFADRP COC(=O)c1cc(C[N@@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)oc1C ZINC000592433595 398425696 /nfs/dbraw/zinc/42/56/96/398425696.db2.gz LIQAUTJDVSTCGJ-CABCVRRESA-N 2 0 320.433 2.586 20 0 DFADRP CC[NH+]1CCN([C@@H]2CC[N@H+](C/C(C)=C\c3ccccc3)C2)CC1 ZINC000255678834 398425951 /nfs/dbraw/zinc/42/59/51/398425951.db2.gz OLEZVVARVHRXPV-XLEPWJDSSA-N 2 0 313.489 2.802 20 0 DFADRP CC[N@@H+]1CC[C@@H]([NH2+][C@@H]2CC[C@H](C(=O)OC(C)(C)C)C2)[C@@H](C)C1 ZINC000592404424 398422728 /nfs/dbraw/zinc/42/27/28/398422728.db2.gz SNMPQKDRAMCAGY-CAOSSQGBSA-N 2 0 310.482 2.817 20 0 DFADRP C[C@H](CC(=O)NCCCC[N@@H+]1CCCC[C@H]1C)[C@H]1CCC[NH2+]C1 ZINC000262602328 398431661 /nfs/dbraw/zinc/43/16/61/398431661.db2.gz ACZUPOUKTQVOAE-KURKYZTESA-N 2 0 323.525 2.783 20 0 DFADRP C[C@H](CC(=O)NCCCC[N@@H+]1CCCC[C@H]1C)C1CC[NH2+]CC1 ZINC000262630126 398432806 /nfs/dbraw/zinc/43/28/06/398432806.db2.gz GXDQLOSBYPEODN-IAGOWNOFSA-N 2 0 323.525 2.783 20 0 DFADRP CCOC(=O)[C@@]1(C(C)C)CC[N@H+](CCCC2CC[NH2+]CC2)C1 ZINC000592495651 398433823 /nfs/dbraw/zinc/43/38/23/398433823.db2.gz PIUFVCLFCGKWBB-SFHVURJKSA-N 2 0 310.482 2.677 20 0 DFADRP FC(F)(F)CSCC[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000459448264 299108587 /nfs/dbraw/zinc/10/85/87/299108587.db2.gz XCMUNKRXCCFTSX-UHFFFAOYSA-N 2 0 319.396 2.936 20 0 DFADRP CSc1cc(C[NH2+]C2CCN(c3cc[nH+]cc3)CC2)ccn1 ZINC000459457004 299111359 /nfs/dbraw/zinc/11/13/59/299111359.db2.gz IAMUYQFMSNHMNI-UHFFFAOYSA-N 2 0 314.458 2.957 20 0 DFADRP C[N@@H+]1CCC[C@]2(CC[NH+](CCc3ccc4c(c3)CCO4)C2)C1 ZINC000292907390 530065460 /nfs/dbraw/zinc/06/54/60/530065460.db2.gz HCGXKACNDSUDJD-IBGZPJMESA-N 2 0 300.446 2.582 20 0 DFADRP CCO[C@@H]1C[C@H]([NH2+]C[C@@H](C)N(C)C)[C@H]1Sc1ccccc1 ZINC000459459638 299112382 /nfs/dbraw/zinc/11/23/82/299112382.db2.gz GTFWMZZAPFRRQX-XLNGHYISSA-N 2 0 308.491 2.864 20 0 DFADRP [NH2+]=C(NCc1ccccc1)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000306669016 398509497 /nfs/dbraw/zinc/50/94/97/398509497.db2.gz KRIPTIMNGNFVLP-UHFFFAOYSA-N 2 0 322.456 2.965 20 0 DFADRP CC[NH+](CC)Cc1cccc(NC(=O)C2CCC([NH3+])CC2)c1 ZINC000315626031 398526949 /nfs/dbraw/zinc/52/69/49/398526949.db2.gz TYHXBXLYUMBQJN-UHFFFAOYSA-N 2 0 303.450 2.984 20 0 DFADRP C[C@H]([NH2+]C[C@@H](O)C(C)(C)C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272646132 210050685 /nfs/dbraw/zinc/05/06/85/210050685.db2.gz JDVCOJVRWJMXKH-RYQLBKOJSA-N 2 0 304.478 2.894 20 0 DFADRP COc1ccc(C[C@@H](C)[NH2+]CC2CC[NH+](C)CC2)cc1OC ZINC000121195891 185762268 /nfs/dbraw/zinc/76/22/68/185762268.db2.gz FATPDVPNQONRFW-CQSZACIVSA-N 2 0 306.450 2.566 20 0 DFADRP CC(C)[C@@H](CO)[C@@H]([NH2+]C1CCN(c2cc[nH+]cc2)CC1)C(C)C ZINC000459576964 299138825 /nfs/dbraw/zinc/13/88/25/299138825.db2.gz LMFSALNCGYPLEC-MOPGFXCFSA-N 2 0 319.493 2.929 20 0 DFADRP CC[C@@H](C)[N@H+](C)CCNC(=O)c1ccc(C[NH+](CC)CC)o1 ZINC000589177075 398532154 /nfs/dbraw/zinc/53/21/54/398532154.db2.gz HLAYGYOYHIYZOI-CQSZACIVSA-N 2 0 309.454 2.582 20 0 DFADRP CC(C)[NH+](CCCNC(=O)C1CC[NH+](C(C)C)CC1)C(C)C ZINC000074332669 282536199 /nfs/dbraw/zinc/53/61/99/282536199.db2.gz GCSWEMJNAPYWNN-UHFFFAOYSA-N 2 0 311.514 2.732 20 0 DFADRP COc1ccc([C@@H](C)[NH2+][C@@H](C)CCN2CC[NH+](C)CC2)c(C)c1 ZINC000414132198 295770730 /nfs/dbraw/zinc/77/07/30/295770730.db2.gz MGAKGRJRQNANIK-DLBZAZTESA-N 2 0 319.493 2.680 20 0 DFADRP COc1ccc(C[C@@H](C)[NH2+]CCCCC[NH+]2CCCC2)cn1 ZINC000414142900 295771569 /nfs/dbraw/zinc/77/15/69/295771569.db2.gz NFRULDCHBYLBCJ-MRXNPFEDSA-N 2 0 305.466 2.877 20 0 DFADRP CC(C)[C@H](C(=O)Nc1cccc(CC[NH+]2CCCC2)c1)[NH+](C)C ZINC000091824482 398546224 /nfs/dbraw/zinc/54/62/24/398546224.db2.gz SECKIYQAIJLJNN-GOSISDBHSA-N 2 0 317.477 2.850 20 0 DFADRP CC[NH+](CC)[C@@H](CNC(=O)C[C@H]1CCC[NH2+]C1)c1ccccc1 ZINC000320316112 398547551 /nfs/dbraw/zinc/54/75/51/398547551.db2.gz DCAUKGJMYYCUNL-AEFFLSMTSA-N 2 0 317.477 2.575 20 0 DFADRP COCCC[NH+]1CCC([NH2+][C@@H](C)[C@@H](OC)c2ccccc2)CC1 ZINC000279744297 215109637 /nfs/dbraw/zinc/10/96/37/215109637.db2.gz PHFJOJVUOVCDNF-QFBILLFUSA-N 2 0 320.477 2.853 20 0 DFADRP Cc1cc(C[NH+](C)C)cc(NC(=O)[C@H]2CCC[N@@H+]2C2CC2)c1 ZINC000279752188 215114486 /nfs/dbraw/zinc/11/44/86/215114486.db2.gz DBGXQADBMJBJHT-QGZVFWFLSA-N 2 0 301.434 2.622 20 0 DFADRP C[C@H](CC[NH+](C)C)N[C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000272581192 210000134 /nfs/dbraw/zinc/00/01/34/210000134.db2.gz QOXDGPQYVLYHDI-GSEOLPGOSA-N 2 0 315.505 2.827 20 0 DFADRP CC[NH+](CC)Cc1ccccc1CNC(=O)C[C@@H]1CCC[NH2+]C1 ZINC000321241634 398551968 /nfs/dbraw/zinc/55/19/68/398551968.db2.gz ONGFKBDLXBSJCO-INIZCTEOSA-N 2 0 317.477 2.534 20 0 DFADRP C[C@H]1C[NH+](CCCC[NH2+]C2CCC3(CCCO3)CC2)C[C@H](C)O1 ZINC000364948761 290843908 /nfs/dbraw/zinc/84/39/08/290843908.db2.gz FUEZOLCGXRXNEL-YXWAVELNSA-N 2 0 324.509 2.957 20 0 DFADRP COC(=O)c1ccc(CNC[C@@H]2CCC[N@@H+](C(C)C)C2)cc1F ZINC000597055938 398556536 /nfs/dbraw/zinc/55/65/36/398556536.db2.gz TZRNDKBKUKPOPV-HNNXBMFYSA-N 2 0 322.424 2.822 20 0 DFADRP C[C@@H](c1cccc2ccccc21)[NH+]1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000323624268 398560666 /nfs/dbraw/zinc/56/06/66/398560666.db2.gz OJIPKQXUGAVYME-WMZOPIPTSA-N 2 0 309.457 2.880 20 0 DFADRP C[C@@H](CC(=O)N1CCCCCC1)[NH2+]Cc1ccc2c[nH+]cn2c1 ZINC000459647956 299155976 /nfs/dbraw/zinc/15/59/76/299155976.db2.gz BEZRLGZWLHSQBQ-HNNXBMFYSA-N 2 0 314.433 2.605 20 0 DFADRP COC(=O)c1ccc(C[NH2+]C[C@@H]2CCN2C(C)(C)C)cc1F ZINC000597172982 398581661 /nfs/dbraw/zinc/58/16/61/398581661.db2.gz KIGNBWKNTSWKPB-ZDUSSCGKSA-N 2 0 308.397 2.575 20 0 DFADRP CSC1(C[NH2+]Cc2ccc(C[N@@H+]3CC[C@H](O)C3)cc2)CCC1 ZINC000597186110 398584956 /nfs/dbraw/zinc/58/49/56/398584956.db2.gz FJFVUYPTTQUOJF-KRWDZBQOSA-N 2 0 320.502 2.629 20 0 DFADRP [NH3+]CCC1CC[NH+](Cc2cc(Cl)c3c(c2)OCCO3)CC1 ZINC000070188460 398593455 /nfs/dbraw/zinc/59/34/55/398593455.db2.gz LEVIPSGRZFZBLX-UHFFFAOYSA-N 2 0 310.825 2.672 20 0 DFADRP CC[C@H]([NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1)c1ccc2c(c1)OCCO2 ZINC000152408820 186070193 /nfs/dbraw/zinc/07/01/93/186070193.db2.gz RQEUDFLSYXFNCZ-YOEHRIQHSA-N 2 0 316.445 2.983 20 0 DFADRP COc1ccc(OCCC[NH2+][C@H]2C[C@H](C)[N@H+](C)C[C@H]2C)cc1 ZINC000152493422 186078939 /nfs/dbraw/zinc/07/89/39/186078939.db2.gz AEWCKCUZRREUIM-VKJFTORMSA-N 2 0 306.450 2.782 20 0 DFADRP Cc1cccc2c1[C@@H](C)C[C@H]2[NH2+]CCCN1CC[NH+](C)CC1 ZINC000152662084 186095077 /nfs/dbraw/zinc/09/50/77/186095077.db2.gz ZPHLOVYPGSAYLF-FUHWJXTLSA-N 2 0 301.478 2.770 20 0 DFADRP OCc1ccc(C[NH+]2CCC(CCC[NH+]3CCCC3)CC2)o1 ZINC000093769323 398644848 /nfs/dbraw/zinc/64/48/48/398644848.db2.gz ZTJRIFULETVUMW-UHFFFAOYSA-N 2 0 306.450 2.860 20 0 DFADRP C[NH+]1CCC(O)(C[NH2+][C@H]2C[C@H](c3ccccc3)C2(C)C)CC1 ZINC000274256845 282713461 /nfs/dbraw/zinc/71/34/61/282713461.db2.gz JGFHFELEDRWTMB-SJORKVTESA-N 2 0 302.462 2.615 20 0 DFADRP C[C@H]([NH2+][C@@H]1CCC[C@@H]1CCO)c1cccc(OCC[NH+](C)C)c1 ZINC000188025426 186245772 /nfs/dbraw/zinc/24/57/72/186245772.db2.gz PVHOVTORFXHQLN-FRQCXROJSA-N 2 0 320.477 2.829 20 0 DFADRP C=Cn1cc(C[NH2+]Cc2ccc(OCCC[NH+](C)C)cc2)cn1 ZINC000194288499 186277575 /nfs/dbraw/zinc/27/75/75/186277575.db2.gz KKILSEOZJOLYOX-UHFFFAOYSA-N 2 0 314.433 2.604 20 0 DFADRP C[C@@H]1C[C@H]1c1ccc(C[NH2+]C2CCN(CC[NH+](C)C)CC2)o1 ZINC000237459076 186292805 /nfs/dbraw/zinc/29/28/05/186292805.db2.gz HOMQMWMYTDNSHW-RHSMWYFYSA-N 2 0 305.466 2.519 20 0 DFADRP CC[N@@H+]1CCC[C@@H]1CN[C@@H]1CC[NH+](Cc2ccccc2)C[C@@H]1C ZINC000268754005 186379866 /nfs/dbraw/zinc/37/98/66/186379866.db2.gz YVZKTEUGQFDVQA-DFQSSKMNSA-N 2 0 315.505 2.971 20 0 DFADRP COc1cc2c(c(C[NH2+]CC[C@@H]3CCC[N@H+](C)C3)c1)O[C@H](C)C2 ZINC000459731303 299174960 /nfs/dbraw/zinc/17/49/60/299174960.db2.gz LKFMWKKSRHVBLO-CABCVRRESA-N 2 0 318.461 2.840 20 0 DFADRP Cc1csc(N2CCC([NH2+]CC[C@H]3CCC[N@@H+](C)C3)CC2)n1 ZINC000459732071 299175710 /nfs/dbraw/zinc/17/57/10/299175710.db2.gz MAFSNMNMODHNJR-OAHLLOKOSA-N 2 0 322.522 2.742 20 0 DFADRP CC(C)(C)CC(=O)N1CCC([NH2+][C@H]2CCCC[C@@H]2C[NH3+])CC1 ZINC000414804644 295821015 /nfs/dbraw/zinc/82/10/15/295821015.db2.gz OSIIFGZTRYAKLJ-ZBFHGGJFSA-N 2 0 309.498 2.521 20 0 DFADRP C[C@@H]1C[C@@H]([NH2+]CC[C@@H]2CCC[N@H+](C)C2)CN1Cc1ccccc1 ZINC000459734304 299176249 /nfs/dbraw/zinc/17/62/49/299176249.db2.gz OKTLQMQYOZWAIA-YZGWKJHDSA-N 2 0 315.505 2.971 20 0 DFADRP C[C@H](CCc1ccc2c(c1)OCO2)[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000414823522 295822296 /nfs/dbraw/zinc/82/22/96/295822296.db2.gz DSRGCQSNNDUXHI-SLHHOWHOSA-N 2 0 302.418 2.609 20 0 DFADRP C[NH2+]C[C@H](C)C[NH2+][C@H](C)Cc1ccc(Br)c(F)c1 ZINC000414829879 295823235 /nfs/dbraw/zinc/82/32/35/295823235.db2.gz BOWVPIVVNKDZIA-WDEREUQCSA-N 2 0 317.246 2.964 20 0 DFADRP c1cc(COc2ccc(C[NH2+]CC[C@H]3CC[NH2+]C3)cc2)ccn1 ZINC000414832201 295823627 /nfs/dbraw/zinc/82/36/27/295823627.db2.gz OBDMQWSKODUHED-KRWDZBQOSA-N 2 0 311.429 2.750 20 0 DFADRP Cc1ccc(C[NH2+]CC[C@H]2CCC[NH2+]C2)c(-c2ccnn2C)c1 ZINC000414842587 295825287 /nfs/dbraw/zinc/82/52/87/295825287.db2.gz PEADSJWQWJUHDI-MRXNPFEDSA-N 2 0 312.461 2.875 20 0 DFADRP COc1cc(C[NH2+][C@@H](C)[C@H]2CCC[NH2+]C2)c(SC)cc1OC ZINC000414851447 295825999 /nfs/dbraw/zinc/82/59/99/295825999.db2.gz JIWMVLRALNGIBS-STQMWFEESA-N 2 0 324.490 2.903 20 0 DFADRP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)C[C@@H](C)c2ccccc2)CC1 ZINC000172014282 198025570 /nfs/dbraw/zinc/02/55/70/198025570.db2.gz CTAWEMPXJLOKGH-IAGOWNOFSA-N 2 0 304.478 2.815 20 0 DFADRP CCCOc1cc(C[NH2+]CC[C@@H]2CCC[NH2+]C2)ccc1OC ZINC000414855200 295826841 /nfs/dbraw/zinc/82/68/41/295826841.db2.gz VZDMICBWKZYHOD-HNNXBMFYSA-N 2 0 306.450 2.963 20 0 DFADRP c1ccc([C@H]2CCCC[C@@H]([NH2+]CCN3CC[NH2+]CC3)C2)cc1 ZINC000414865388 295827999 /nfs/dbraw/zinc/82/79/99/295827999.db2.gz LCXNKPVHMCOPGN-RBUKOAKNSA-N 2 0 301.478 2.598 20 0 DFADRP C[N@@H+]1CCC[C@@H](CC[NH2+]C2CCN(C(=O)CC(C)(C)C)CC2)C1 ZINC000459745833 299180320 /nfs/dbraw/zinc/18/03/20/299180320.db2.gz YMIQJOGPCORDCB-INIZCTEOSA-N 2 0 323.525 2.735 20 0 DFADRP COc1ccc([C@@H](CO)C[NH2+]C2CC[NH+](C(C)(C)C)CC2)cc1 ZINC000459750135 299181073 /nfs/dbraw/zinc/18/10/73/299181073.db2.gz NDNHIUUBTPWESD-MRXNPFEDSA-N 2 0 320.477 2.624 20 0 DFADRP COCCCOc1cccc(C[NH2+]C[C@]2(C)CCC[NH2+]C2)c1 ZINC000414896241 295831550 /nfs/dbraw/zinc/83/15/50/295831550.db2.gz BEPVBKIQWKYBAA-GOSISDBHSA-N 2 0 306.450 2.581 20 0 DFADRP C[C@H](CCc1ccc2c(c1)OCO2)[NH2+]CC1(C)CC[NH2+]CC1 ZINC000414898449 295832058 /nfs/dbraw/zinc/83/20/58/295832058.db2.gz GBCVMPJKJOMZGQ-CQSZACIVSA-N 2 0 304.434 2.716 20 0 DFADRP CCOC(=O)[C@@H]1CC[C@@H]([NH2+]CCC[N@H+](C)CC(C)C)C[C@H]1C ZINC000593647341 398665043 /nfs/dbraw/zinc/66/50/43/398665043.db2.gz XPECNBJOPFZKAI-BRWVUGGUSA-N 2 0 312.498 2.922 20 0 DFADRP COCC[C@@H](Cc1cccc(F)c1)[NH2+]CC1(C)CC[NH2+]CC1 ZINC000414898104 295831823 /nfs/dbraw/zinc/83/18/23/295831823.db2.gz FZFGTQPXTXHRJF-KRWDZBQOSA-N 2 0 308.441 2.753 20 0 DFADRP Cn1cc(C[NH2+]CC2(C)CC[NH2+]CC2)c(C2CCCCC2)n1 ZINC000414904680 295832808 /nfs/dbraw/zinc/83/28/08/295832808.db2.gz NRXSZJWJGUXMPC-UHFFFAOYSA-N 2 0 304.482 2.947 20 0 DFADRP FC(F)(F)COc1cccc(C[NH2+][C@H]2CCC[NH2+]CC2)c1 ZINC000414913724 295834055 /nfs/dbraw/zinc/83/40/55/295834055.db2.gz JNPFVEOFSQNTHD-ZDUSSCGKSA-N 2 0 302.340 2.859 20 0 DFADRP c1nc2ccccc2n1-c1ccc(C[NH2+]C[C@@H]2CC[NH2+]C2)cc1 ZINC000414916784 295834564 /nfs/dbraw/zinc/83/45/64/295834564.db2.gz QJSQGEJKNANHLM-MRXNPFEDSA-N 2 0 306.413 2.725 20 0 DFADRP COc1ccc(C[NH2+]C[C@H]2CC[NH2+]C2)cc1OCCC(C)C ZINC000414917056 295834577 /nfs/dbraw/zinc/83/45/77/295834577.db2.gz QWNUNWPAYAWLNB-INIZCTEOSA-N 2 0 306.450 2.819 20 0 DFADRP Cc1ccc(C)c([C@@H](C)[NH2+]C[C@@H](C)CN2CC[NH+](C)CC2)c1 ZINC000120860243 282795407 /nfs/dbraw/zinc/79/54/07/282795407.db2.gz GOIUGQUZDIUOPM-SJLPKXTDSA-N 2 0 303.494 2.838 20 0 DFADRP COc1ccc(Br)cc1C[NH2+][C@@H]1CCC[C@H]([NH3+])C1 ZINC000414929531 295836381 /nfs/dbraw/zinc/83/63/81/295836381.db2.gz RQCQXFHXJRDTPT-QWHCGFSZSA-N 2 0 313.239 2.817 20 0 DFADRP COc1cccc(C[C@H]([NH2+]CC2CC[NH+](C)CC2)C2CC2)c1 ZINC000121286875 282805969 /nfs/dbraw/zinc/80/59/69/282805969.db2.gz WIAWVJDQTIBMSJ-IBGZPJMESA-N 2 0 302.462 2.948 20 0 DFADRP C[C@@H]1C[C@H]([NH2+]Cc2cccc(OCC(F)(F)F)c2)CC[NH2+]1 ZINC000414958460 295840848 /nfs/dbraw/zinc/84/08/48/295840848.db2.gz WTBDARMCWMFFDP-DGCLKSJQSA-N 2 0 302.340 2.858 20 0 DFADRP C[N@@H+]1CCC[C@@H](CC[NH2+]C2CCN(CCC(F)(F)F)CC2)C1 ZINC000459771022 299188296 /nfs/dbraw/zinc/18/82/96/299188296.db2.gz IBBBVHYYCGECRP-AWEZNQCLSA-N 2 0 321.431 2.725 20 0 DFADRP c1cn2c(C[NH2+]CCC[C@@H]3CCC[NH2+]3)c(C3CC3)nc2s1 ZINC000414963865 295841749 /nfs/dbraw/zinc/84/17/49/295841749.db2.gz DFSFTWMAPFRTKN-CYBMUJFWSA-N 2 0 304.463 2.895 20 0 DFADRP CCC[C@H](C)NC(=O)[C@@H](C)[NH+]1CCC(C[N@H+](C)C(C)C)CC1 ZINC000590786279 398674224 /nfs/dbraw/zinc/67/42/24/398674224.db2.gz LZPZEZLZIONIIP-JKSUJKDBSA-N 2 0 311.514 2.732 20 0 DFADRP c1sc(-c2ccccn2)nc1C[NH2+]CCC[C@@H]1CCC[NH2+]1 ZINC000414976018 295843040 /nfs/dbraw/zinc/84/30/40/295843040.db2.gz PJVMZLYFQZDSFE-CYBMUJFWSA-N 2 0 302.447 2.827 20 0 DFADRP CCOc1c(C[NH2+]CCC[C@@H]2CCC[NH2+]2)c(C)nn1CC(C)C ZINC000414975499 295843054 /nfs/dbraw/zinc/84/30/54/295843054.db2.gz OQKJAMOPEZCLQP-MRXNPFEDSA-N 2 0 322.497 2.868 20 0 DFADRP CCOc1ccc(C[NH2+][C@H]2CC[NH2+]CC2(C)C)cc1OCC ZINC000414975955 295843098 /nfs/dbraw/zinc/84/30/98/295843098.db2.gz PAOSZXXZVNZSDX-KRWDZBQOSA-N 2 0 306.450 2.962 20 0 DFADRP C(CC1CC[NH+](CCOC[C@@H]2CCCO2)CC1)C[NH+]1CCCC1 ZINC000122081243 282824032 /nfs/dbraw/zinc/82/40/32/282824032.db2.gz KXMOQBBLKQFQBP-IBGZPJMESA-N 2 0 324.509 2.770 20 0 DFADRP COCC[C@H](Cc1cccc(F)c1)[NH2+]CCC[C@@H]1CCC[NH2+]1 ZINC000414981449 295843697 /nfs/dbraw/zinc/84/36/97/295843697.db2.gz XOCFNOODSQXURB-ZWKOTPCHSA-N 2 0 308.441 2.895 20 0 DFADRP COc1ccc(C[NH2+]C[C@@H]2CCC[C@H]([NH3+])C2)c(OC(F)F)c1 ZINC000414995688 295845280 /nfs/dbraw/zinc/84/52/80/295845280.db2.gz NTZRNJCYQKWFPY-YPMHNXCESA-N 2 0 314.376 2.904 20 0 DFADRP CCc1noc(C2CCC([NH2+]C[C@H]3CCC[C@@H]([NH3+])C3)CC2)n1 ZINC000415001267 295845921 /nfs/dbraw/zinc/84/59/21/295845921.db2.gz KTSXMTZCLBGWSK-FGZQJIAISA-N 2 0 306.454 2.765 20 0 DFADRP COCCCOc1cccc(C[NH2+][C@@H]2C[C@H]2C2CC[NH2+]CC2)c1 ZINC000415009329 295847165 /nfs/dbraw/zinc/84/71/65/295847165.db2.gz NWOVTVVOAROEFE-RBUKOAKNSA-N 2 0 318.461 2.580 20 0 DFADRP COc1ccc2c(c1)C[C@@H]([NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1)CC2 ZINC000415003906 295846468 /nfs/dbraw/zinc/84/64/68/295846468.db2.gz GRXABNYFIKYNSI-YTQUADARSA-N 2 0 300.446 2.530 20 0 DFADRP CC[N@H+](C)[C@@H](C(=O)N1CCC[C@@H]([NH2+]C(C)C)C1)c1ccccc1 ZINC000590810152 398679529 /nfs/dbraw/zinc/67/95/29/398679529.db2.gz FFJHMJJIGPMYPV-QZTJIDSGSA-N 2 0 317.477 2.668 20 0 DFADRP COc1ccc(C[C@@H](C)[NH2+]CC[C@H]2CCC[N@H+](C)C2)cc1OC ZINC000459784646 299191900 /nfs/dbraw/zinc/19/19/00/299191900.db2.gz ODBBGIIDJQUVCN-HZPDHXFCSA-N 2 0 320.477 2.956 20 0 DFADRP COc1ccc2oc(C[NH2+][C@@H]3C[C@H]3C3CC[NH2+]CC3)cc2c1 ZINC000415014733 295847270 /nfs/dbraw/zinc/84/72/70/295847270.db2.gz XFYPQPPFLWIFRI-DLBZAZTESA-N 2 0 300.402 2.919 20 0 DFADRP COc1ccc(Br)c(C[NH2+][C@H](C)CCC[NH3+])c1 ZINC000415025074 295848294 /nfs/dbraw/zinc/84/82/94/295848294.db2.gz QDJGKFBGFOPTHM-SNVBAGLBSA-N 2 0 301.228 2.675 20 0 DFADRP COc1cc(C[NH2+][C@@H]2CC[C@H](C[NH3+])C2)c(SC)cc1OC ZINC000415028071 295848480 /nfs/dbraw/zinc/84/84/80/295848480.db2.gz CCOWAVDFGQKTAY-WCQYABFASA-N 2 0 310.463 2.643 20 0 DFADRP [NH3+]C[C@H]1CC[C@@H]([NH2+]Cc2cc(Br)ccc2F)C1 ZINC000415029138 295848535 /nfs/dbraw/zinc/84/85/35/295848535.db2.gz DIPFABGEGAUDMH-JOYOIKCWSA-N 2 0 301.203 2.805 20 0 DFADRP [NH3+]C[C@H]1CC[C@H]([NH2+]Cc2c[nH]nc2-c2cccc(Cl)c2)C1 ZINC000415029115 295848602 /nfs/dbraw/zinc/84/86/02/295848602.db2.gz DHJUGOWGMLWRSU-NHYWBVRUSA-N 2 0 304.825 2.947 20 0 DFADRP C[N@@H+]1CCC[C@H](CNC(=O)c2ccc(Nc3cc[nH+]cc3)cc2)C1 ZINC000073477751 398683266 /nfs/dbraw/zinc/68/32/66/398683266.db2.gz OHJRXXWUWNNFIK-OAHLLOKOSA-N 2 0 324.428 2.897 20 0 DFADRP [NH3+]C[C@H]1CC[C@@H]([NH2+]Cc2cnn(-c3ccc(Cl)cc3)c2)C1 ZINC000415041879 295850284 /nfs/dbraw/zinc/85/02/84/295850284.db2.gz QGAYSLQNDWYPHP-SWLSCSKDSA-N 2 0 304.825 2.743 20 0 DFADRP [NH3+]C[C@@H]1CC[C@@H]([NH2+]Cc2ccccc2OCc2ccccn2)C1 ZINC000415048289 295851100 /nfs/dbraw/zinc/85/11/00/295851100.db2.gz WSWZBCSLJMAOQY-NVXWUHKLSA-N 2 0 311.429 2.878 20 0 DFADRP COc1ccc(Br)c(C[NH2+][C@H]2CC[C@H](C[NH3+])C2)c1 ZINC000415045487 295850731 /nfs/dbraw/zinc/85/07/31/295850731.db2.gz UCPQICIPTSGAQD-JQWIXIFHSA-N 2 0 313.239 2.675 20 0 DFADRP COC(=O)c1cc(C[NH2+][C@H](CCC[NH3+])c2ccccc2)oc1C ZINC000415055400 295852223 /nfs/dbraw/zinc/85/22/23/295852223.db2.gz OSQZKXGBJFGOMC-QGZVFWFLSA-N 2 0 316.401 2.944 20 0 DFADRP COc1ccc(C[NH2+][C@@H](C)CCC[NH3+])cc1Br ZINC000415064895 295853880 /nfs/dbraw/zinc/85/38/80/295853880.db2.gz QNVFGTJKMXZWPQ-JTQLQIEISA-N 2 0 301.228 2.675 20 0 DFADRP C[C@](O)(C[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1)c1ccccc1 ZINC000173600719 198231599 /nfs/dbraw/zinc/23/15/99/198231599.db2.gz UZUZANBMSBKTQA-MJGOQNOKSA-N 2 0 302.462 2.702 20 0 DFADRP COc1ccc(C(C)(C)C[NH2+]C[C@]2(C)CC[NH2+]C2)cc1OC ZINC000415078550 295855278 /nfs/dbraw/zinc/85/52/78/295855278.db2.gz IWLMIFUNGXXICO-GOSISDBHSA-N 2 0 306.450 2.571 20 0 DFADRP CC(C)CC[C@@H]([NH2+]C[C@@H]1CCCN(C(=O)C[NH3+])C1)C(C)(C)C ZINC000415082833 295855882 /nfs/dbraw/zinc/85/58/82/295855882.db2.gz MLNORYHBGOZRJW-JKSUJKDBSA-N 2 0 311.514 2.624 20 0 DFADRP Cc1cc(C)n(-c2ccccc2C[NH2+]C[C@H]2CC[NH2+][C@@H](C)C2)n1 ZINC000415081428 295855476 /nfs/dbraw/zinc/85/54/76/295855476.db2.gz BVJZUJAINPXZDY-YOEHRIQHSA-N 2 0 312.461 2.967 20 0 DFADRP COc1ccc(CCC[NH2+]C2CCC(C[NH3+])CC2)cc1OC ZINC000415089039 295856357 /nfs/dbraw/zinc/85/63/57/295856357.db2.gz XDXRWMVYHMHXLZ-UHFFFAOYSA-N 2 0 306.450 2.744 20 0 DFADRP CCOc1ccccc1C[NH+]1CCC([C@@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000415100477 295857963 /nfs/dbraw/zinc/85/79/63/295857963.db2.gz AKSUYLICRNFXEZ-HKUYNNGSSA-N 2 0 318.461 2.804 20 0 DFADRP CC(C)OC(=O)C[C@H]([NH2+]CC1CC[NH2+]CC1)c1ccccc1 ZINC000415106055 295858948 /nfs/dbraw/zinc/85/89/48/295858948.db2.gz NUCMBIWHUFPZEI-KRWDZBQOSA-N 2 0 304.434 2.659 20 0 DFADRP Cc1ccc(F)c(C[NH+]2CCC([C@H]3OCCC[C@@H]3[NH3+])CC2)c1 ZINC000415114543 295859915 /nfs/dbraw/zinc/85/99/15/295859915.db2.gz VLJBFFMFAFGJLA-ZWKOTPCHSA-N 2 0 306.425 2.852 20 0 DFADRP Cc1ccc(F)c(C[NH+]2CCC([C@@H]3OCCC[C@@H]3[NH3+])CC2)c1 ZINC000415114542 295859976 /nfs/dbraw/zinc/85/99/76/295859976.db2.gz VLJBFFMFAFGJLA-ROUUACIJSA-N 2 0 306.425 2.852 20 0 DFADRP OCc1ccc(C[NH2+]CC2CC[NH+](Cc3ccccc3)CC2)o1 ZINC000174305834 198317501 /nfs/dbraw/zinc/31/75/01/198317501.db2.gz CBBCMGPBQWNBGI-UHFFFAOYSA-N 2 0 314.429 2.774 20 0 DFADRP COc1ccc(C)cc1C[NH+]1CCC([C@H]2OCCC[C@H]2[NH3+])CC1 ZINC000415119397 295860673 /nfs/dbraw/zinc/86/06/73/295860673.db2.gz FLVGXWHRYKXZSB-IEBWSBKVSA-N 2 0 318.461 2.722 20 0 DFADRP Cc1ccc(F)c(C[NH+]2CCC([C@@H]3C[C@H]([NH3+])CCO3)CC2)c1 ZINC000415124350 295861512 /nfs/dbraw/zinc/86/15/12/295861512.db2.gz MNWZWHWIEBHVMO-AEFFLSMTSA-N 2 0 306.425 2.852 20 0 DFADRP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(OCCC[NH+](C)C)cc2)CC[N@@H+]1C ZINC000174517288 198344419 /nfs/dbraw/zinc/34/44/19/198344419.db2.gz YVLBLBWOBXKIIA-AEFFLSMTSA-N 3 0 319.493 2.589 20 0 DFADRP [NH3+][C@H]1CCCO[C@H]1C1CC[NH+](Cc2ccc(F)cc2F)CC1 ZINC000415129764 295862354 /nfs/dbraw/zinc/86/23/54/295862354.db2.gz PPWMTXSBAVTRQS-IRXDYDNUSA-N 2 0 310.388 2.683 20 0 DFADRP [NH3+][C@H]1CCO[C@H](C2CC[NH+](Cc3ccc4c(c3)CCC4)CC2)C1 ZINC000415131074 295862393 /nfs/dbraw/zinc/86/23/93/295862393.db2.gz YLJPOILRUOPSJQ-PMACEKPBSA-N 2 0 314.473 2.894 20 0 DFADRP C[C@H]([NH2+]Cc1ccc(OCCC[NH+](C)C)cc1)[C@@H]1CCOC1 ZINC000174540611 198350270 /nfs/dbraw/zinc/35/02/70/198350270.db2.gz MNDKWQMLLLWROB-DOTOQJQBSA-N 2 0 306.450 2.532 20 0 DFADRP [NH3+]CC1(O)CC[NH+](Cc2ccc(-c3ccccc3)cc2F)CC1 ZINC000415143304 295864530 /nfs/dbraw/zinc/86/45/30/295864530.db2.gz RXQSQRLNHKXRRP-UHFFFAOYSA-N 2 0 314.404 2.778 20 0 DFADRP CC(C)[C@H]([NH3+])C(=O)NCc1ccc(C[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000236767602 202000247 /nfs/dbraw/zinc/00/02/47/202000247.db2.gz XIDRIGNKGBXTGQ-YJBOKZPZSA-N 2 0 317.477 2.661 20 0 DFADRP CC(C)C[NH+]1CCC(NC(=O)[C@H](C)[C@H]([NH3+])c2ccccc2)CC1 ZINC000236772238 202001034 /nfs/dbraw/zinc/00/10/34/202001034.db2.gz OJQYBYDLEFJGJC-QAPCUYQASA-N 2 0 317.477 2.559 20 0 DFADRP FC(F)(F)[C@@H]1CCC[C@@H]([NH2+]CCCC[NH+]2CCOCC2)C1 ZINC000129308727 283010164 /nfs/dbraw/zinc/01/01/64/283010164.db2.gz SYRDXQJIBLLAAG-ZIAGYGMSSA-N 2 0 308.388 2.810 20 0 DFADRP C[C@H]1C[C@@H](C(=O)N[C@@H]2CC[NH+](C3CCCCCC3)C2)CC[N@@H+]1C ZINC000377799348 291045422 /nfs/dbraw/zinc/04/54/22/291045422.db2.gz TWMRXZWIKUUCOI-YESZJQIVSA-N 2 0 321.509 2.630 20 0 DFADRP C[C@@H]1CCCC[N@@H+]1CCCNC(=O)c1ccc(C[NH+](C)C)cc1 ZINC000073418224 191314895 /nfs/dbraw/zinc/31/48/95/191314895.db2.gz HACZJQMFBRIUTP-MRXNPFEDSA-N 2 0 317.477 2.743 20 0 DFADRP C[NH2+]Cc1cccc(NC(=O)NCC[NH+]2[C@@H](C)CCC[C@@H]2C)c1 ZINC000415915293 295901475 /nfs/dbraw/zinc/90/14/75/295901475.db2.gz DRJODGVINTUQKS-GJZGRUSLSA-N 2 0 318.465 2.790 20 0 DFADRP Cc1cc(C[NH3+])cc(NC(=O)N2CC[C@@H]([NH+]3CCCCC3)C2)c1 ZINC000332658380 235252805 /nfs/dbraw/zinc/25/28/05/235252805.db2.gz NECWOUOKWZYEJV-QGZVFWFLSA-N 2 0 316.449 2.546 20 0 DFADRP CC[NH+]1CCC(CCNC(=O)Nc2cccc(C[NH2+]C)c2)CC1 ZINC000415942578 295904821 /nfs/dbraw/zinc/90/48/21/295904821.db2.gz JTNSVCMYHTZHJL-UHFFFAOYSA-N 2 0 318.465 2.650 20 0 DFADRP CCCC[NH+]1CCC(NC(=O)Nc2cccc(C[NH2+]C)c2)CC1 ZINC000415942031 295904863 /nfs/dbraw/zinc/90/48/63/295904863.db2.gz ICGVKKGWLJYBEA-UHFFFAOYSA-N 2 0 318.465 2.792 20 0 DFADRP CC[NH+](CC)CC1CC[NH+](CC(=O)N(C)C2CCCCC2)CC1 ZINC000047973876 398767042 /nfs/dbraw/zinc/76/70/42/398767042.db2.gz IRHCIQNZLACGKU-UHFFFAOYSA-N 2 0 323.525 2.831 20 0 DFADRP CC[NH+](CC)C[C@H]1CCN(C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC000081333798 192251878 /nfs/dbraw/zinc/25/18/78/192251878.db2.gz JTIZRBDUBHDXBR-QGZVFWFLSA-N 2 0 317.477 2.552 20 0 DFADRP CC[C@H](Cc1cccs1)[NH2+][C@@H](C)CCN1CC[NH+](C)CC1 ZINC000681141445 545603083 /nfs/dbraw/zinc/60/30/83/545603083.db2.gz NVTDADUSZHZNKQ-JKSUJKDBSA-N 2 0 309.523 2.685 20 0 DFADRP CCCC[N@H+](C)CC1CC[NH+](Cc2c(C)nn(C)c2OC)CC1 ZINC000134163725 283175639 /nfs/dbraw/zinc/17/56/39/283175639.db2.gz RKQHEYVMADOISA-UHFFFAOYSA-N 2 0 322.497 2.681 20 0 DFADRP CC[NH+](CC)[C@H](CNC(=O)c1ccc(C[NH3+])cc1)CC(C)C ZINC000236887280 202052716 /nfs/dbraw/zinc/05/27/16/202052716.db2.gz FMIRNSGHTQOBJF-KRWDZBQOSA-N 2 0 305.466 2.632 20 0 DFADRP CC[C@@H](C)[C@H]([NH3+])C(=O)NC[C@H](c1ccccc1)[NH+](CC)CC ZINC000236935776 202080101 /nfs/dbraw/zinc/08/01/01/202080101.db2.gz BDWUREOBVUQZRN-OIISXLGYSA-N 2 0 305.466 2.559 20 0 DFADRP CC[C@@]1(C(=O)N2CCC[C@@H](C[NH+]3CCCCCC3)C2)CCC[NH2+]1 ZINC000134593950 283193715 /nfs/dbraw/zinc/19/37/15/283193715.db2.gz SJXMNJIGZRNABN-HKUYNNGSSA-N 2 0 321.509 2.633 20 0 DFADRP CC[C@H](C)[C@H]([NH3+])C(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000236931128 202077061 /nfs/dbraw/zinc/07/70/61/202077061.db2.gz WNSASFVPVYDXRX-BBRMVZONSA-N 2 0 321.490 2.547 20 0 DFADRP CC[NH+](CC)Cc1cccc(NC(=O)[C@H]2CCC[C@H]([NH3+])C2)c1 ZINC000236929922 202077752 /nfs/dbraw/zinc/07/77/52/202077752.db2.gz IZELLNBJMADMGN-HOTGVXAUSA-N 2 0 303.450 2.984 20 0 DFADRP CCc1ccc([C@H](CNC(=O)C2([NH3+])CCCCC2)[NH+](C)C)cc1 ZINC000236979788 202106800 /nfs/dbraw/zinc/10/68/00/202106800.db2.gz VLHDYLXKPANXNY-KRWDZBQOSA-N 2 0 317.477 2.630 20 0 DFADRP CC[C@@H](C)[C@@H]([NH3+])C(=O)NCc1ccccc1C[N@H+](C)C(C)C ZINC000236985904 202108591 /nfs/dbraw/zinc/10/85/91/202108591.db2.gz KKKDJEPTALZLPI-RHSMWYFYSA-N 2 0 305.466 2.516 20 0 DFADRP C[N@@H+]1CCC[C@H](C[NH2+][C@@H]2CCCN(Cc3ccccc3)C2)C1 ZINC000121213884 398786624 /nfs/dbraw/zinc/78/66/24/398786624.db2.gz TWVQPOLSKWOSBW-RTBURBONSA-N 2 0 301.478 2.582 20 0 DFADRP CC[NH+](CC)[C@@H](C(=O)NCC[C@@H]1CCC[NH2+]C1)c1ccccc1 ZINC000237040619 202131787 /nfs/dbraw/zinc/13/17/87/202131787.db2.gz AGRLGVQOBWNSQQ-FUHWJXTLSA-N 2 0 317.477 2.575 20 0 DFADRP CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)c1cccc(C[NH+](C)C)c1 ZINC000075158597 398788700 /nfs/dbraw/zinc/78/87/00/398788700.db2.gz KRTOHCSSABYZBC-GOSISDBHSA-N 2 0 317.477 2.695 20 0 DFADRP C[N@H+](CCCNC(=O)C[C@@H]([NH3+])c1ccccc1)C1CCCCC1 ZINC000237067982 202141563 /nfs/dbraw/zinc/14/15/63/202141563.db2.gz WKWUEKVVPAQWSN-GOSISDBHSA-N 2 0 317.477 2.847 20 0 DFADRP C[NH+](C)Cc1cccc(C(=O)NCC[NH2+]C2CCCCCC2)c1 ZINC000237055651 202137975 /nfs/dbraw/zinc/13/79/75/202137975.db2.gz YPLIGTIKGCTZAR-UHFFFAOYSA-N 2 0 317.477 2.790 20 0 DFADRP CCC[NH+](CCC)CCCC(=O)N1CCC[C@H]1[C@H]1CCC[N@@H+]1C ZINC000361272585 283209055 /nfs/dbraw/zinc/20/90/55/283209055.db2.gz QCWPJXOHIDXZDZ-MSOLQXFVSA-N 2 0 323.525 2.974 20 0 DFADRP CCC[C@H](C)[C@@H]1CCC[N@@H+]1CC(=O)NC1CC[NH+](C(C)C)CC1 ZINC000135348868 283216356 /nfs/dbraw/zinc/21/63/56/283216356.db2.gz CYFRDXYDHAQKTE-WMZOPIPTSA-N 2 0 323.525 2.876 20 0 DFADRP C[NH2+]CCCC(=O)NC[C@@H](c1cccs1)[NH+]1CCC(C)CC1 ZINC000237176619 202176376 /nfs/dbraw/zinc/17/63/76/202176376.db2.gz AJAKKIWIIVBIBZ-HNNXBMFYSA-N 2 0 323.506 2.637 20 0 DFADRP CC[NH+](CC)Cc1ccccc1C[NH2+][C@@H](C)Cn1cccn1 ZINC000137976231 283255761 /nfs/dbraw/zinc/25/57/61/283255761.db2.gz ZHCWSRHPCWJOOO-INIZCTEOSA-N 2 0 300.450 2.903 20 0 DFADRP C[N@@H+]1CCC[C@H]1CC[NH2+]C1(c2ccc(F)cc2)CCOCC1 ZINC000179469859 199041524 /nfs/dbraw/zinc/04/15/24/199041524.db2.gz JLXODDYBRYHDKL-KRWDZBQOSA-N 2 0 306.425 2.905 20 0 DFADRP COC(=O)C[C@@H]1CC[C@H]([NH2+]C[C@@H]2CCC[N@H+](CC(C)C)C2)[C@H]1C ZINC000354571137 291121542 /nfs/dbraw/zinc/12/15/42/291121542.db2.gz LKHLSAAWQKCDCV-XSLAGTTESA-N 2 0 324.509 2.922 20 0 DFADRP CCC[NH+]1CCN(c2ccccc2C[NH2+]CC(C)(C)OC)CC1 ZINC000152315617 283317867 /nfs/dbraw/zinc/31/78/67/283317867.db2.gz WDEVYQVCIBILGQ-UHFFFAOYSA-N 2 0 319.493 2.733 20 0 DFADRP C[C@@H](CNC(=O)[C@@H]([NH3+])CC1CCCCC1)C[NH+]1CCCCC1 ZINC000318720909 295962883 /nfs/dbraw/zinc/96/28/83/295962883.db2.gz HHAVBENMJLYJRI-RDJZCZTQSA-N 2 0 309.498 2.522 20 0 DFADRP CC1(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)COC1 ZINC000180139395 199122538 /nfs/dbraw/zinc/12/25/38/199122538.db2.gz JAIXPRKSCHMOHJ-AYHJJNSGSA-N 2 0 300.446 2.808 20 0 DFADRP CC(C)CSCCC[N@H+](C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000152661485 283333634 /nfs/dbraw/zinc/33/36/34/283333634.db2.gz QKNIOVWUXMWZRR-INIZCTEOSA-N 2 0 316.555 2.790 20 0 DFADRP Cc1ccc2c(c1)[C@H]([NH2+]C[C@@H](C)CN1CC[NH+](C)CC1)[C@@H](C)C2 ZINC000180439646 199159176 /nfs/dbraw/zinc/15/91/76/199159176.db2.gz YIWASZGSWURMHA-FUHIMQAGSA-N 2 0 315.505 2.701 20 0 DFADRP C[C@H]1C[C@H]([NH2+]C[C@H](O)Cc2ccccc2)CN1Cc1ccccc1 ZINC000132015859 398854770 /nfs/dbraw/zinc/85/47/70/398854770.db2.gz FPLHJYCADBWTAD-DZFGPLHGSA-N 2 0 324.468 2.843 20 0 DFADRP C[NH2+]C[C@H](C)C(=O)NCc1ccc(C[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000237333963 202234899 /nfs/dbraw/zinc/23/48/99/202234899.db2.gz ZXEHVJCNFPECNR-HOTGVXAUSA-N 2 0 317.477 2.533 20 0 DFADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CCc2ccccc2)[C@H](C)C1 ZINC000153035196 283350073 /nfs/dbraw/zinc/35/00/73/283350073.db2.gz XJWLJQIFVFTGKV-IEBWSBKVSA-N 2 0 304.478 2.956 20 0 DFADRP C[C@@H](CC(=O)NC[C@]1([NH+](C)C)CCC[C@@H](C)C1)[C@@H]1CCC[NH2+]C1 ZINC000237367367 202244726 /nfs/dbraw/zinc/24/47/26/202244726.db2.gz OMACITXINHCRRE-NTDBWNAOSA-N 2 0 323.525 2.639 20 0 DFADRP CC[C@H](C(=O)NCC1([NH+](C)C)CCCCCC1)[NH+](CC)CC ZINC000468144948 299277119 /nfs/dbraw/zinc/27/71/19/299277119.db2.gz CSMDJUOKJNZRKG-MRXNPFEDSA-N 2 0 311.514 2.878 20 0 DFADRP C[C@@H]([NH2+]C(C)(C)CNC(=O)[C@]1(C)CCCC[NH2+]1)c1ccccc1 ZINC000237384522 202250442 /nfs/dbraw/zinc/25/04/42/202250442.db2.gz DSBNUGCEZANNJU-BEFAXECRSA-N 2 0 317.477 2.764 20 0 DFADRP CC[C@H]([NH2+]CCN1CCC([NH+](C)C)CC1)c1ccccc1F ZINC000180712303 199199813 /nfs/dbraw/zinc/19/98/13/199199813.db2.gz HUSKSVQUVGBMQJ-SFHVURJKSA-N 2 0 307.457 2.892 20 0 DFADRP C[C@H]1C[C@H](NC[C@@H](C2CC2)[NH+](C)Cc2ccccc2)CC[N@@H+]1C ZINC000186878326 291146076 /nfs/dbraw/zinc/14/60/76/291146076.db2.gz WXGHQJMIFOEYKC-DBVUQKKJSA-N 2 0 315.505 2.969 20 0 DFADRP C[C@@H](CSCCF)[NH2+]CC1CC[NH+](C2CCOCC2)CC1 ZINC000595051883 398898126 /nfs/dbraw/zinc/89/81/26/398898126.db2.gz WNMLBMKXRSSAKF-AWEZNQCLSA-N 2 0 318.502 2.558 20 0 DFADRP CC(C)[C@@H](Cc1ccccc1)[NH2+]C[C@@H](C)CN1CC[NH+](C)CC1 ZINC000187159155 200069791 /nfs/dbraw/zinc/06/97/91/200069791.db2.gz KPGFFOIZRFGZOD-UYAOXDASSA-N 2 0 317.521 2.727 20 0 DFADRP CC/C=C/CC[NH+]1CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC1 ZINC000184566083 283459009 /nfs/dbraw/zinc/45/90/09/283459009.db2.gz FHHOWFHKCNVBOY-BQYQJAHWSA-N 2 0 323.525 2.759 20 0 DFADRP C[C@H](C[NH2+][C@H]1CC[C@@](C)(c2ccccc2)C1)N1CC[NH+](C)CC1 ZINC000187967006 200183549 /nfs/dbraw/zinc/18/35/49/200183549.db2.gz OFOSMDITRBSNIR-YZGWKJHDSA-N 2 0 315.505 2.722 20 0 DFADRP [NH3+]Cc1cc(C(=O)Nc2cccc(C[NH+]3CCCCC3)c2)co1 ZINC000188080536 200190491 /nfs/dbraw/zinc/19/04/91/200190491.db2.gz REZUBQIXCMPPHD-UHFFFAOYSA-N 2 0 313.401 2.977 20 0 DFADRP CO[C@H](C)C[NH2+][C@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000188109827 200195250 /nfs/dbraw/zinc/19/52/50/200195250.db2.gz NMUYFVYVFBWATI-BVBHFADKSA-N 2 0 302.462 2.912 20 0 DFADRP C[C@H](C[NH2+]CCCN1CC[NH+](C)CC1)c1cccc(Cl)c1 ZINC000188241848 200214417 /nfs/dbraw/zinc/21/44/17/200214417.db2.gz JEULPNXMTQBFCG-OAHLLOKOSA-N 2 0 309.885 2.671 20 0 DFADRP CCOC(=O)[C@H]1CC[C@H]([NH2+]C[C@@H]2CCCN2C)c2ccccc21 ZINC000599087642 398919220 /nfs/dbraw/zinc/91/92/20/398919220.db2.gz LIUVPKQKIGEHFT-WBAXXEDZSA-N 2 0 316.445 2.852 20 0 DFADRP C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)CCC2CC[NH2+]CC2)C1 ZINC000237714021 202335450 /nfs/dbraw/zinc/33/54/50/202335450.db2.gz OWPLOWZTAXZHRM-IYBDPMFKSA-N 2 0 323.525 2.639 20 0 DFADRP CC[NH+](CC)Cc1ccc(NC(=O)C[N@H+](CC)C2CC2)cc1 ZINC000188362904 200234154 /nfs/dbraw/zinc/23/41/54/200234154.db2.gz LDSCUTHRQBGZFI-UHFFFAOYSA-N 2 0 303.450 2.951 20 0 DFADRP Cc1ccc([C@@H](CNC(=O)CCCCCC[NH3+])[NH+]2CCCC2)o1 ZINC000237776739 202353053 /nfs/dbraw/zinc/35/30/53/202353053.db2.gz LQTIROPEPWHSLN-MRXNPFEDSA-N 2 0 321.465 2.750 20 0 DFADRP [NH3+][C@H](CC(=O)N1CCC[C@H]([NH+]2CCCC2)CC1)c1ccccc1 ZINC000237837919 202367061 /nfs/dbraw/zinc/36/70/61/202367061.db2.gz MNERGXUIQCEPTI-ZWKOTPCHSA-N 2 0 315.461 2.553 20 0 DFADRP C[N@H+](Cc1ccccc1)CC(C)(C)C[NH2+]C[C@@H]1CC[C@H](O)C1 ZINC000188833041 200309586 /nfs/dbraw/zinc/30/95/86/200309586.db2.gz WIUPKZBGEFBZNJ-MSOLQXFVSA-N 2 0 304.478 2.895 20 0 DFADRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+][C@@H](C)[C@@H]1C[C@H]1c1cccs1 ZINC000417347769 296012474 /nfs/dbraw/zinc/01/24/74/296012474.db2.gz WSXDRGIXXSPUEK-LTIDMASMSA-N 2 0 321.534 2.856 20 0 DFADRP [NH3+]C[C@H](Cc1ccccc1)[C@@H]1CCCC[N@@H+]1CCn1cccn1 ZINC000471835193 299309392 /nfs/dbraw/zinc/30/93/92/299309392.db2.gz UTUCBEBWTZCZPY-OALUTQOASA-N 2 0 312.461 2.555 20 0 DFADRP C[C@@H]([NH3+])CCC(=O)NCC1([NH2+][C@@H](C)c2ccccc2)CCCC1 ZINC000262827292 296017389 /nfs/dbraw/zinc/01/73/89/296017389.db2.gz PZLLKQGWIFBKST-CVEARBPZSA-N 2 0 317.477 2.894 20 0 DFADRP CCC[C@@H]([NH2+][C@@H]1CCN(C2CC[NH+](C)CC2)C1)c1ccccn1 ZINC000362660448 283569256 /nfs/dbraw/zinc/56/92/56/283569256.db2.gz YDSOUHOKVXXQEE-VQIMIIECSA-N 2 0 316.493 2.681 20 0 DFADRP COC(=O)CCCC[N@@H+]1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000599277296 398946694 /nfs/dbraw/zinc/94/66/94/398946694.db2.gz LCYZZKUMJCZUQJ-QGZVFWFLSA-N 2 0 310.482 2.774 20 0 DFADRP COC(=O)CCCC[N@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000599302765 398951649 /nfs/dbraw/zinc/95/16/49/398951649.db2.gz JUDMGLIEGNLWRN-GOSISDBHSA-N 2 0 318.461 2.784 20 0 DFADRP COc1cccc2cc([C@@H](C)[NH2+]CC3(O)CC[NH+](C)CC3)oc21 ZINC000271898451 209306609 /nfs/dbraw/zinc/30/66/09/209306609.db2.gz UWMCZZZCAMUYDR-CYBMUJFWSA-N 2 0 318.417 2.549 20 0 DFADRP C[C@@H](CCc1ccccc1)C[NH2+][C@@H](C)CCN1CC[NH+](C)CC1 ZINC000472145368 299321082 /nfs/dbraw/zinc/32/10/82/299321082.db2.gz GMLNNJCEIFQNQH-OALUTQOASA-N 2 0 317.521 2.871 20 0 DFADRP CC[NH+](CC)Cc1ccc(C(=O)NCC2=CC[N@H+](C)CC2)cc1 ZINC000271892312 209300800 /nfs/dbraw/zinc/30/08/00/209300800.db2.gz ORLORNKMERZAHZ-UHFFFAOYSA-N 2 0 315.461 2.520 20 0 DFADRP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccc3c(c2)ncn3C)[C@@H](C)C1 ZINC000271882572 209292285 /nfs/dbraw/zinc/29/22/85/209292285.db2.gz VMLKWHQZMUEKPZ-WMLDXEAASA-N 2 0 300.450 2.735 20 0 DFADRP C[C@H]([NH3+])CCC(=O)Nc1ccc(C[NH+]2CCC(C)CC2)cc1 ZINC000193295525 201022626 /nfs/dbraw/zinc/02/26/26/201022626.db2.gz FGWWADJFLHGJRG-HNNXBMFYSA-N 2 0 303.450 2.984 20 0 DFADRP C[C@@H]([NH3+])CCC(=O)NCc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000193295709 201023148 /nfs/dbraw/zinc/02/31/48/201023148.db2.gz OWICAWGOLMGCQE-HZPDHXFCSA-N 2 0 317.477 2.662 20 0 DFADRP C[C@H](c1cccc(F)c1)[NH+]1CCC(C[NH+]2CCOCC2)CC1 ZINC000056494563 398974652 /nfs/dbraw/zinc/97/46/52/398974652.db2.gz NGRIMOLYKYPTIW-OAHLLOKOSA-N 2 0 306.425 2.931 20 0 DFADRP CC1CCC(N(C)C(=O)C[NH+]2CCC(CC[NH+](C)C)CC2)CC1 ZINC000056525346 398977705 /nfs/dbraw/zinc/97/77/05/398977705.db2.gz FVTDJGCHOZWJNK-UHFFFAOYSA-N 2 0 323.525 2.687 20 0 DFADRP COC(=O)c1ccc(C[NH+]2CCC(CC[NH+](C)C)CC2)cc1 ZINC000056524298 398978104 /nfs/dbraw/zinc/97/81/04/398978104.db2.gz WVGKOKICOXPKHU-UHFFFAOYSA-N 2 0 304.434 2.637 20 0 DFADRP COc1ccc(C[NH2+]CC2=CC[N@H+](C)CC2)c(OC(F)F)c1 ZINC000271868209 209281867 /nfs/dbraw/zinc/28/18/67/209281867.db2.gz WTYXYBRCVYZWRM-UHFFFAOYSA-N 2 0 312.360 2.648 20 0 DFADRP CC(C)[NH2+]CCC(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000166692923 398993058 /nfs/dbraw/zinc/99/30/58/398993058.db2.gz XKLBFHGKHUXGSW-UHFFFAOYSA-N 2 0 321.490 2.562 20 0 DFADRP CC(=O)Nc1ccc(C[N@H+](CCC[NH3+])Cc2ccccc2)cc1 ZINC000166288273 398993566 /nfs/dbraw/zinc/99/35/66/398993566.db2.gz COLHHDDSQRNOBI-UHFFFAOYSA-N 2 0 311.429 2.996 20 0 DFADRP CC(C)c1ccc([C@@H]([NH3+])CNC(=O)[C@@H]2[NH2+]CCCC2(C)C)cc1 ZINC000417783757 296050563 /nfs/dbraw/zinc/05/05/63/296050563.db2.gz ACBCRQLGFXQQHR-IRXDYDNUSA-N 2 0 317.477 2.704 20 0 DFADRP COC(=O)C(C)(C)CC[NH2+]C1CC[NH+](CC2CCCC2)CC1 ZINC000474604257 299337797 /nfs/dbraw/zinc/33/77/97/299337797.db2.gz OSKFSPSGUCOWAV-UHFFFAOYSA-N 2 0 310.482 2.820 20 0 DFADRP COC(=O)C(C)(C)CC[NH2+]CC(C)(C)[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000474620037 299337877 /nfs/dbraw/zinc/33/78/77/299337877.db2.gz ZIZWRANIEZIFFN-GJZGRUSLSA-N 2 0 312.498 2.922 20 0 DFADRP C[C@H](CC(=O)N[C@@H](CCC[NH3+])c1ccccc1)C1CC[NH2+]CC1 ZINC000417828796 296055389 /nfs/dbraw/zinc/05/53/89/296055389.db2.gz HSRJABVBDYJXTI-QAPCUYQASA-N 2 0 317.477 2.609 20 0 DFADRP CC[C@H](Cc1ccc(OC)c(OC)c1)[NH2+]CC1=CC[N@H+](C)CC1 ZINC000271833230 209253334 /nfs/dbraw/zinc/25/33/34/209253334.db2.gz FEYSDCBWFJMYAB-QGZVFWFLSA-N 2 0 318.461 2.876 20 0 DFADRP CC[NH+](CC)Cc1ccccc1C[NH2+]Cc1cc(C)nn1C ZINC000417849910 296057700 /nfs/dbraw/zinc/05/77/00/296057700.db2.gz WQXIBOHULOOJLD-UHFFFAOYSA-N 2 0 300.450 2.860 20 0 DFADRP Cc1ccc(C[NH+](C)C)cc1NC(=O)CC[C@H]1CCC[NH2+]C1 ZINC000621650655 399009248 /nfs/dbraw/zinc/00/92/48/399009248.db2.gz AJDOTUQOTUJUQA-OAHLLOKOSA-N 2 0 303.450 2.775 20 0 DFADRP C[C@H](C[NH2+][C@H]1CCC[C@@H](C(F)(F)F)C1)CN1CC[NH+](C)CC1 ZINC000249406100 283786431 /nfs/dbraw/zinc/78/64/31/283786431.db2.gz WPHVRJXZBSCXKE-KFWWJZLASA-N 2 0 321.431 2.581 20 0 DFADRP Cc1cc(C[NH2+]Cc2ccccc2C[N@@H+](C)C(C)C)n(C)n1 ZINC000417957107 296066559 /nfs/dbraw/zinc/06/65/59/296066559.db2.gz BGKHZKANQWGGCG-UHFFFAOYSA-N 2 0 300.450 2.859 20 0 DFADRP CC[C@H](C[NH+]1CCCC1)NC(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000605397967 399016934 /nfs/dbraw/zinc/01/69/34/399016934.db2.gz GOIZFKQYKQKOAU-MRXNPFEDSA-N 2 0 318.465 2.744 20 0 DFADRP Cc1ccc([C@H]([NH2+]CC2(O)CC[NH+](C)CC2)C2CCC2)cc1 ZINC000275375868 212298286 /nfs/dbraw/zinc/29/82/86/212298286.db2.gz WQBYMWHHVZPGOR-GOSISDBHSA-N 2 0 302.462 2.883 20 0 DFADRP CCCC[C@@H](C[NH3+])NC(=O)NC[C@H]([NH3+])c1ccc(C(C)C)cc1 ZINC000418359736 296088241 /nfs/dbraw/zinc/08/82/41/296088241.db2.gz SHBMJFPKMLNVCQ-IRXDYDNUSA-N 2 0 320.481 2.627 20 0 DFADRP CCOc1cncc(C[N@@H+]2CC[C@@H](C3CC[NH+](C)CC3)C2)c1 ZINC000621727656 399051173 /nfs/dbraw/zinc/05/11/73/399051173.db2.gz LOUCZVWNOMPRCT-QGZVFWFLSA-N 2 0 303.450 2.644 20 0 DFADRP COC(=O)[C@@H]1CC[N@H+](CCC[NH+]2CCCCC2)[C@H]2CCCC[C@H]12 ZINC000595729366 399058833 /nfs/dbraw/zinc/05/88/33/399058833.db2.gz DWEOUFNZCJOPOC-KURKYZTESA-N 2 0 322.493 2.916 20 0 DFADRP C[NH+]1CCC(O)(C[NH2+][C@@H]2CCC[C@H]2c2ccc(F)cc2)CC1 ZINC000268969073 283939131 /nfs/dbraw/zinc/93/91/31/283939131.db2.gz HVCNEEMRZKBMDN-DLBZAZTESA-N 2 0 306.425 2.508 20 0 DFADRP CC(=O)N1CC[C@@H]([NH2+]C[C@@H](C)C[NH+]2CCCC2)c2ccccc21 ZINC000621750397 399066377 /nfs/dbraw/zinc/06/63/77/399066377.db2.gz OMYAODAXMCLCGV-CRAIPNDOSA-N 2 0 315.461 2.806 20 0 DFADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]CC[C@H]2CC2(F)F)[C@H](C)C1 ZINC000621768372 399073100 /nfs/dbraw/zinc/07/31/00/399073100.db2.gz OBHKAPYVHCIIDN-ILXRZTDVSA-N 2 0 304.425 2.758 20 0 DFADRP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCC[N@@H+]2Cc2cncc(Cl)c2)C1 ZINC000621776828 399075642 /nfs/dbraw/zinc/07/56/42/399075642.db2.gz XJJDUJKXRJQQDJ-OWCLPIDISA-N 2 0 309.841 2.596 20 0 DFADRP Cc1[nH+]ccc(N2CCC[C@@H](C[NH+]3CCOCC3)C2)c1Cl ZINC000336880753 284062831 /nfs/dbraw/zinc/06/28/31/284062831.db2.gz AGOIHYPPNZOGRC-AWEZNQCLSA-N 2 0 309.841 2.592 20 0 DFADRP Cc1ccc(C[C@H]([NH2+]C[C@H](O)C[NH+]2CCCCC2)C(C)C)cc1 ZINC000481027767 299390702 /nfs/dbraw/zinc/39/07/02/299390702.db2.gz VMZHENVPSUOGBA-PMACEKPBSA-N 2 0 318.505 2.999 20 0 DFADRP COCCc1nc(C)c([C@@H](C)[NH2+]CC2CC[NH+](C)CC2)s1 ZINC000092746367 193187809 /nfs/dbraw/zinc/18/78/09/193187809.db2.gz FIBQPKJKODYLMZ-GFCCVEGCSA-N 2 0 311.495 2.633 20 0 DFADRP CO[C@@H](CC(C)C)C[NH+]1CCC(OCC[NH+]2CCCC2)CC1 ZINC000419219511 296128567 /nfs/dbraw/zinc/12/85/67/296128567.db2.gz SZRHYSARQHXVTP-SFHVURJKSA-N 2 0 312.498 2.624 20 0 DFADRP CC[C@@H](C[NH+]1CCC(CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1)OC ZINC000419218957 296128459 /nfs/dbraw/zinc/12/84/59/296128459.db2.gz SIGDXRYYBBXIHQ-JZXOWHBKSA-N 2 0 312.498 2.623 20 0 DFADRP C[C@@H]1CCCC[N@@H+]1Cc1ccc(NC(=O)[C@H]2CCC[NH2+]2)cc1 ZINC000261715557 203099401 /nfs/dbraw/zinc/09/94/01/203099401.db2.gz MVJUXCPAHFLLTF-RHSMWYFYSA-N 2 0 301.434 2.752 20 0 DFADRP CC(C)[NH+]1CCC(N(C)C(=O)[C@H](C)[C@H]([NH3+])c2ccccc2)CC1 ZINC000261725361 203104184 /nfs/dbraw/zinc/10/41/84/203104184.db2.gz MJDGFTRENPEDNT-QAPCUYQASA-N 2 0 317.477 2.654 20 0 DFADRP C[C@@H]([NH2+]C(C)(C)CNC(=O)CC[C@H]1CC[NH2+]C1)c1ccccc1 ZINC000261880079 203142231 /nfs/dbraw/zinc/14/22/31/203142231.db2.gz RTCPRLWFTZRQEM-CVEARBPZSA-N 2 0 317.477 2.622 20 0 DFADRP Cc1ncc(C[N@H+](C)CC2CC[NH+](C)CC2)n1-c1ccccc1 ZINC000093088966 193201822 /nfs/dbraw/zinc/20/18/22/193201822.db2.gz MHTBMLVMLYIPOG-UHFFFAOYSA-N 2 0 312.461 2.954 20 0 DFADRP CC[NH+]1CCN([C@@H]2CC[N@H+](CC3CCC(C)(C)CC3)C2)CC1 ZINC000093133008 193205046 /nfs/dbraw/zinc/20/50/46/193205046.db2.gz NKQKHRXGWYRWHT-GOSISDBHSA-N 2 0 307.526 2.915 20 0 DFADRP CC[NH+]1CCN([C@H]2CC[N@H+](Cc3coc4ccccc34)C2)CC1 ZINC000093132795 193205260 /nfs/dbraw/zinc/20/52/60/193205260.db2.gz VTHVFTNYVIQMIA-KRWDZBQOSA-N 2 0 313.445 2.645 20 0 DFADRP C[C@@H]1CCC[N@H+](Cc2ccc(NC(=O)[C@H]3CCC[NH2+]3)cc2)C1 ZINC000262099506 203198175 /nfs/dbraw/zinc/19/81/75/203198175.db2.gz ZEABPLVSIGIZLD-RHSMWYFYSA-N 2 0 301.434 2.609 20 0 DFADRP CCC[C@@H]([NH3+])C(=O)Nc1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000262165845 203215673 /nfs/dbraw/zinc/21/56/73/203215673.db2.gz WCZYGMDGVACBEH-WMLDXEAASA-N 2 0 303.450 2.984 20 0 DFADRP [NH3+]C1(C(=O)NCc2ccccc2C[NH+]2CCCC2)CCCCC1 ZINC000262265032 203243897 /nfs/dbraw/zinc/24/38/97/203243897.db2.gz VGWBATVFCPOOOL-UHFFFAOYSA-N 2 0 315.461 2.560 20 0 DFADRP Cc1ccc([C@H]([NH3+])C(=O)NCCCCC[NH+]2CCCCC2)cc1 ZINC000262606358 203347595 /nfs/dbraw/zinc/34/75/95/203347595.db2.gz ATXMXZYMGPYGNT-SFHVURJKSA-N 2 0 317.477 2.767 20 0 DFADRP CCOC(=O)C1([C@H](C)[NH2+]CC[C@H]2CC=CCC2)CC[NH2+]CC1 ZINC000600711907 399120431 /nfs/dbraw/zinc/12/04/31/399120431.db2.gz UGGICEDEQAHJAO-HOTGVXAUSA-N 2 0 308.466 2.644 20 0 DFADRP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccc(OC)c(OC)c2)[C@H](C)C1 ZINC000093639351 193279705 /nfs/dbraw/zinc/27/97/05/193279705.db2.gz IXMQCTMKAMJYCT-GDBMZVCRSA-N 2 0 306.450 2.866 20 0 DFADRP COCC[N@H+](C)CCCC1CC[NH+](Cc2cccc(O)c2)CC1 ZINC000093769461 193303292 /nfs/dbraw/zinc/30/32/92/193303292.db2.gz KVDLJPFDVMDIJJ-UHFFFAOYSA-N 2 0 320.477 2.963 20 0 DFADRP CSc1ccc([C@H](CN[C@H]2CC[N@H+](C)C[C@@H]2C)[NH+](C)C)cc1 ZINC000340530707 284189435 /nfs/dbraw/zinc/18/94/35/284189435.db2.gz GDQIDPGKYVXMJO-WBAXXEDZSA-N 2 0 321.534 2.941 20 0 DFADRP CC(C)C[N@@H+]1CCC[C@@H](C[NH2+][C@@H](Cn2cccn2)C(C)C)C1 ZINC000340523626 284188043 /nfs/dbraw/zinc/18/80/43/284188043.db2.gz GZPQPGFFXVLUCS-ROUUACIJSA-N 2 0 306.498 2.865 20 0 DFADRP CCOc1cc2[nH+]ccc(N3CC[NH2+]C[C@H]3C)c2cc1OCC ZINC000420178427 296160555 /nfs/dbraw/zinc/16/05/55/296160555.db2.gz UKAAFCDOXOGVKX-CYBMUJFWSA-N 2 0 315.417 2.830 20 0 DFADRP CC[NH+](CC)[C@H](C(=O)N(C)CCCC[NH+](C)C)c1ccccc1 ZINC000607036522 399136449 /nfs/dbraw/zinc/13/64/49/399136449.db2.gz SNBHZEZLOYHJQV-SFHVURJKSA-N 2 0 319.493 2.870 20 0 DFADRP CCOc1cc2[nH+]ccc(N3CC[C@H]([NH3+])C3)c2cc1OCC ZINC000420167821 296160176 /nfs/dbraw/zinc/16/01/76/296160176.db2.gz JQPDFALUXGEMBK-LBPRGKRZSA-N 2 0 301.390 2.570 20 0 DFADRP CC(C)(C)CC[NH2+]CC1CC[NH+](CC(=O)NC(C)(C)C)CC1 ZINC000438192118 297084427 /nfs/dbraw/zinc/08/44/27/297084427.db2.gz ZCPFRZKPTIJOKH-UHFFFAOYSA-N 2 0 311.514 2.639 20 0 DFADRP CC[C@@H]1CCCC[C@H]1C[N@@H+]1CC[C@H](N2CC[NH+](CC)CC2)C1 ZINC000600117662 399142485 /nfs/dbraw/zinc/14/24/85/399142485.db2.gz MIYAEQHXBQLHRS-QYZOEREBSA-N 2 0 307.526 2.915 20 0 DFADRP Cc1ccc(C[NH2+]CCN2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000060833560 399144466 /nfs/dbraw/zinc/14/44/66/399144466.db2.gz WCBPPAGPTIAQPQ-UHFFFAOYSA-N 2 0 323.484 2.902 20 0 DFADRP COCC1(CNc2cc[nH+]c3cc(F)ccc23)CC[NH2+]CC1 ZINC000420247892 296165356 /nfs/dbraw/zinc/16/53/56/296165356.db2.gz UZRKIEBVNUYWGR-UHFFFAOYSA-N 2 0 303.381 2.802 20 0 DFADRP CCCc1ccc2[nH+]ccc(N3CC[C@@H](N4CC[NH2+]CC4)C3)c2c1 ZINC000420248366 296165723 /nfs/dbraw/zinc/16/57/23/296165723.db2.gz IBXQBGQEVZZRLW-QGZVFWFLSA-N 2 0 324.472 2.671 20 0 DFADRP COc1cc2c(cc1F)[nH+]ccc2N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000420253517 296165877 /nfs/dbraw/zinc/16/58/77/296165877.db2.gz BDXOIUBOYTVHBU-FZMZJTMJSA-N 2 0 301.365 2.571 20 0 DFADRP C[C@H](CC[NH+](C)C)NC(=O)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000264894106 204246203 /nfs/dbraw/zinc/24/62/03/204246203.db2.gz KLLMQLQVCRXYMO-MRXNPFEDSA-N 2 0 317.477 2.743 20 0 DFADRP C[C@@H]1CCCN(c2cc(NC[C@H]3CCC[C@@H]([NH3+])C3)ncn2)C1 ZINC000420293103 296170079 /nfs/dbraw/zinc/17/00/79/296170079.db2.gz XLGFRXPWGDIBMN-QLFBSQMISA-N 2 0 303.454 2.642 20 0 DFADRP CC(C)[C@@H]([NH3+])CCN(C)[C@@H](C)c1ncc(Br)cn1 ZINC000420291892 296170338 /nfs/dbraw/zinc/17/03/38/296170338.db2.gz OHSPPOLNKWHUDW-JQWIXIFHSA-N 2 0 315.259 2.605 20 0 DFADRP CCN(CC)C(=O)C1([NH2+]CC[C@H]2CCC[NH2+]C2)CCCCC1 ZINC000420293818 296170539 /nfs/dbraw/zinc/17/05/39/296170539.db2.gz AMBYVTVHALMIPX-MRXNPFEDSA-N 2 0 309.498 2.537 20 0 DFADRP Cc1cc(NC[C@H]2CCNCC2(F)F)c2cc(F)ccc2[nH+]1 ZINC000420292550 296170277 /nfs/dbraw/zinc/17/02/77/296170277.db2.gz WTTGPVABNNGBMD-LLVKDONJSA-N 2 0 309.335 2.761 20 0 DFADRP C[C@H]1[C@@H](c2ccccc2)CC[N@@H+]1C[C@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC000420299287 296171243 /nfs/dbraw/zinc/17/12/43/296171243.db2.gz IRJOCBSCDZRXSB-FIRPJDEBSA-N 2 0 324.468 2.795 20 0 DFADRP Cc1cccc([C@@H]2CCCCC[N@@H+]2CCN2CC[NH2+]CC2)c1 ZINC000420296126 296170940 /nfs/dbraw/zinc/17/09/40/296170940.db2.gz DDERZMFEDCGNLI-IBGZPJMESA-N 2 0 301.478 2.817 20 0 DFADRP C[NH2+]CC1CC[NH+](CCOc2ccc(Cl)c(F)c2)CC1 ZINC000420296726 296171048 /nfs/dbraw/zinc/17/10/48/296171048.db2.gz QSOVOYWYVYRZTA-UHFFFAOYSA-N 2 0 300.805 2.789 20 0 DFADRP c1nn(-c2ccccc2)c2c1C[N@H+](CC[C@@H]1CCC[NH2+]C1)CC2 ZINC000420303892 296172064 /nfs/dbraw/zinc/17/20/64/296172064.db2.gz NWAVJGNBVFBDAL-INIZCTEOSA-N 2 0 310.445 2.620 20 0 DFADRP CC(C)([NH2+]CCN1CC[NH2+]CC1)c1ccc(Cl)c(Cl)c1 ZINC000420304893 296172099 /nfs/dbraw/zinc/17/20/99/296172099.db2.gz OWFYAWRFARCLKO-UHFFFAOYSA-N 2 0 316.276 2.723 20 0 DFADRP C[C@H]1c2ccccc2CC[N@H+]1C[C@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC000420304954 296172225 /nfs/dbraw/zinc/17/22/25/296172225.db2.gz PADWFBDTUXHBEX-YSSFQJQWSA-N 2 0 310.441 2.537 20 0 DFADRP Brc1cccc2c1CC[N@H+](CC[C@@H]1CC[NH2+]C1)C2 ZINC000420303461 296172041 /nfs/dbraw/zinc/17/20/41/296172041.db2.gz NLKHDGOGHRSRTG-LBPRGKRZSA-N 2 0 309.251 2.807 20 0 DFADRP COc1ccc([C@H]2CCC[N@@H+]2CC[C@@H]2CC[NH2+]C2)cc1OC ZINC000420303438 296172048 /nfs/dbraw/zinc/17/20/48/296172048.db2.gz KIFOPNQBYTTWIY-GOEBONIOSA-N 2 0 304.434 2.840 20 0 DFADRP OCC[N@H+](CC[C@H]1CCC[NH2+]C1)[C@H]1CCCc2ccccc21 ZINC000420306583 296172449 /nfs/dbraw/zinc/17/24/49/296172449.db2.gz QLIBSLBCGLXTLK-APWZRJJASA-N 2 0 302.462 2.748 20 0 DFADRP C[N@H+](CC[C@H]1CCC[NH2+]C1)[C@H]1CCCN(c2ccccc2)C1=O ZINC000420306656 296172602 /nfs/dbraw/zinc/17/26/02/296172602.db2.gz QUJCVHRCIQIOBC-AEFFLSMTSA-N 2 0 315.461 2.504 20 0 DFADRP Cc1ccccc1CN1CC[NH+](CC[C@H]2CCC[NH2+]C2)CC1 ZINC000420310015 296173095 /nfs/dbraw/zinc/17/30/95/296173095.db2.gz USDFIGRDQNFHMS-GOSISDBHSA-N 2 0 301.478 2.502 20 0 DFADRP Clc1ccc(C2([NH2+]CC[C@H]3CC[NH2+]C3)CCOCC2)cc1 ZINC000420311843 296173276 /nfs/dbraw/zinc/17/32/76/296173276.db2.gz WDPLPIIXDBQVGD-CQSZACIVSA-N 2 0 308.853 2.935 20 0 DFADRP O=C(c1ccc(F)cc1)[C@H]1CCC[N@H+](CC[C@@H]2CC[NH2+]C2)C1 ZINC000420312287 296173381 /nfs/dbraw/zinc/17/33/81/296173381.db2.gz WQNDRNWJNBBYAF-HOCLYGCPSA-N 2 0 304.409 2.720 20 0 DFADRP [NH3+][C@@H]1CCC[C@H]2C[N@H+](CCOc3ccc(Cl)c(F)c3)C[C@@H]21 ZINC000420313482 296173705 /nfs/dbraw/zinc/17/37/05/296173705.db2.gz UCEFFYLGBFHJGJ-DETPVDSQSA-N 2 0 312.816 2.917 20 0 DFADRP CCc1ccc(CN2CC[NH+](CC[C@H]3CCC[NH2+]C3)CC2)s1 ZINC000420313953 296173909 /nfs/dbraw/zinc/17/39/09/296173909.db2.gz JNISTPQZWGOZOK-MRXNPFEDSA-N 2 0 321.534 2.818 20 0 DFADRP CCc1ccc([C@@H]2C[NH2+]CCN2CC[C@@H]2CCC[NH2+]C2)cc1 ZINC000420319696 296174484 /nfs/dbraw/zinc/17/44/84/296174484.db2.gz RYIBVRATRKVTNG-HKUYNNGSSA-N 2 0 301.478 2.585 20 0 DFADRP CCc1ccc([C@H]2C[NH2+]CCN2CC[C@@H]2CCC[NH2+]C2)cc1 ZINC000420319703 296174511 /nfs/dbraw/zinc/17/45/11/296174511.db2.gz RYIBVRATRKVTNG-PKOBYXMFSA-N 2 0 301.478 2.585 20 0 DFADRP c1cnc2sc(C[NH+]3CCC([C@H]4CC[NH2+]C4)CC3)nc2c1 ZINC000420318123 296174540 /nfs/dbraw/zinc/17/45/40/296174540.db2.gz PMTBKJRCZBZSPP-ZDUSSCGKSA-N 2 0 302.447 2.513 20 0 DFADRP CCn1ccnc1C[N@H+](CCCCCF)[C@@H]1CC12CC[NH2+]CC2 ZINC000420320600 296174559 /nfs/dbraw/zinc/17/45/59/296174559.db2.gz YTCAPJLNQNZEOV-MRXNPFEDSA-N 2 0 322.472 2.987 20 0 DFADRP CCc1ccc([C@@H]2C[NH2+]CCN2CC[C@H]2CCC[NH2+]C2)cc1 ZINC000420319701 296174617 /nfs/dbraw/zinc/17/46/17/296174617.db2.gz RYIBVRATRKVTNG-MJGOQNOKSA-N 2 0 301.478 2.585 20 0 DFADRP Fc1cccc([C@H]2C[NH2+]CCN2CCC[NH+]2CCCCC2)c1 ZINC000420318359 296174646 /nfs/dbraw/zinc/17/46/46/296174646.db2.gz VWXXNPCZHKKVML-GOSISDBHSA-N 2 0 305.441 2.648 20 0 DFADRP COC(=O)c1cc(C[NH+]2CCC([C@H]3CC[NH2+]C3)CC2)c(C)s1 ZINC000420316295 296174026 /nfs/dbraw/zinc/17/40/26/296174026.db2.gz NEZHLBPHNRUUGI-AWEZNQCLSA-N 2 0 322.474 2.665 20 0 DFADRP CCOC(=O)CC[N@H+](Cc1ccsc1)[C@H]1CC12CC[NH2+]CC2 ZINC000420316442 296174202 /nfs/dbraw/zinc/17/42/02/296174202.db2.gz SSARTGVVZBKBNS-HNNXBMFYSA-N 2 0 322.474 2.645 20 0 DFADRP COC(=O)c1ccccc1C[N@@H+]1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000420323492 296175100 /nfs/dbraw/zinc/17/51/00/296175100.db2.gz YEFPTIFJNICREK-MJGOQNOKSA-N 2 0 324.424 2.648 20 0 DFADRP Cc1cccc(NC(=O)C[N@H+](C)CC[C@@H]2CCC[NH2+]C2)c1C ZINC000420324975 296175120 /nfs/dbraw/zinc/17/51/20/296175120.db2.gz VWIYSOALLMTFON-INIZCTEOSA-N 2 0 303.450 2.563 20 0 DFADRP CSc1ccccc1C[N@@H+]1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000420327165 296175546 /nfs/dbraw/zinc/17/55/46/296175546.db2.gz KUNJTINVGIEVEE-HNNXBMFYSA-N 2 0 306.475 2.596 20 0 DFADRP Cc1ccccc1NC(=O)[C@H](C)[NH+]1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000420332558 296176432 /nfs/dbraw/zinc/17/64/32/296176432.db2.gz DDVIPKFBPOUDNS-YJBOKZPZSA-N 2 0 315.461 2.786 20 0 DFADRP Cc1ccc(C)c(OCC[NH+]2CCC([C@@H]3OCC[C@H]3[NH3+])CC2)c1 ZINC000420331410 296176440 /nfs/dbraw/zinc/17/64/40/296176440.db2.gz QTHPKTRMRFIVQN-MJGOQNOKSA-N 2 0 318.461 2.510 20 0 DFADRP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](CC[C@H]2CCC[NH2+]C2)C1 ZINC000420325473 296175827 /nfs/dbraw/zinc/17/58/27/296175827.db2.gz WQAGGSSLNFOEDK-GUDVDZBRSA-N 3 0 307.526 2.963 20 0 DFADRP Cc1ccc(C)c(NC(=O)C[N@@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)c1 ZINC000420339036 296177388 /nfs/dbraw/zinc/17/73/88/296177388.db2.gz LOJRAVKFPJEMQI-DLBZAZTESA-N 2 0 315.461 2.563 20 0 DFADRP Fc1ccc(OCCC[N@@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)cc1 ZINC000420334980 296176782 /nfs/dbraw/zinc/17/67/82/296176782.db2.gz GZRSGOBVGDKABW-HOTGVXAUSA-N 2 0 306.425 2.916 20 0 DFADRP CCOc1ccc(OCC[N@@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)cc1 ZINC000420345000 296178028 /nfs/dbraw/zinc/17/80/28/296178028.db2.gz VNDLXYICJIOXAO-IAGOWNOFSA-N 2 0 318.461 2.786 20 0 DFADRP c1cc(-c2noc(C[N@@H+]3CCC[C@H]([C@@H]4CC[NH2+]C4)C3)n2)cs1 ZINC000420346870 296178450 /nfs/dbraw/zinc/17/84/50/296178450.db2.gz ZHVJFQHYZPVGSZ-OLZOCXBDSA-N 2 0 318.446 2.620 20 0 DFADRP Cc1cccc(NC(=O)[C@@H](C)[NH+]2CCC3(CC[NH2+]C3)CC2)c1C ZINC000420346412 296178514 /nfs/dbraw/zinc/17/85/14/296178514.db2.gz WWBHQNCCERWABU-MRXNPFEDSA-N 2 0 315.461 2.706 20 0 DFADRP Cc1c[nH+]ccc1NCc1ccccc1C[NH+]1CCC(O)CC1 ZINC000191981418 399173338 /nfs/dbraw/zinc/17/33/38/399173338.db2.gz WPAIIYTXDNWYDG-UHFFFAOYSA-N 2 0 311.429 2.959 20 0 DFADRP C[C@H]([NH3+])CC[NH2+][C@@H](C)CC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000622045672 399174524 /nfs/dbraw/zinc/17/45/24/399174524.db2.gz LWLVFABWVODZAJ-QWRGUYRKSA-N 2 0 317.355 2.749 20 0 DFADRP C[C@@H](Cc1cccc(Cl)c1)[NH2+]C[C@H](O)C[NH+]1CCCCC1 ZINC000282617799 217128960 /nfs/dbraw/zinc/12/89/60/217128960.db2.gz JFWDZBRSIZLXJE-YOEHRIQHSA-N 2 0 310.869 2.707 20 0 DFADRP [NH3+][C@@H]1CCCO[C@H]1C1CC[NH+](CCCCC(F)(F)F)CC1 ZINC000420379266 296183171 /nfs/dbraw/zinc/18/31/71/296183171.db2.gz MZBKZQKVSZIRGW-KGLIPLIRSA-N 2 0 308.388 2.937 20 0 DFADRP CC[C@H](C)[C@@H]1C[N@H+](Cc2ccc(C)nc2)CCN1CCC[NH2+]C ZINC000420377210 296182678 /nfs/dbraw/zinc/18/26/78/296182678.db2.gz RYTCHODLCFFOFW-LPHOPBHVSA-N 2 0 318.509 2.532 20 0 DFADRP COC(=O)C1(C[N@@H+]2CCC[C@@H](C[NH+]3CCCC[C@@H]3C)C2)CC1 ZINC000448524339 297341109 /nfs/dbraw/zinc/34/11/09/297341109.db2.gz HBLYNDAJHYVRQE-JKSUJKDBSA-N 2 0 308.466 2.526 20 0 DFADRP CCc1ccccc1C[NH+]1CCC([C@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000420379230 296183112 /nfs/dbraw/zinc/18/31/12/296183112.db2.gz MYAQLGJCUFCVAP-RBUKOAKNSA-N 2 0 302.462 2.967 20 0 DFADRP C[C@@H]1CCCC[C@@H]1OCC[NH+]1CCC([C@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000420382949 296183915 /nfs/dbraw/zinc/18/39/15/296183915.db2.gz QADNZUMEUUAYHP-XGXHKWSGSA-N 2 0 324.509 2.800 20 0 DFADRP [NH3+][C@@H]1CCCO[C@H]1C1CC[NH+](CCOC2CCCCCC2)CC1 ZINC000420384003 296184123 /nfs/dbraw/zinc/18/41/23/296184123.db2.gz RBUOVWXFIQFHOB-MOPGFXCFSA-N 2 0 324.509 2.944 20 0 DFADRP COc1ccccc1OCC[N@@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000420387780 296184342 /nfs/dbraw/zinc/18/43/42/296184342.db2.gz GOBPZPHVHVQECI-CVEARBPZSA-N 2 0 304.434 2.538 20 0 DFADRP [NH3+][C@@H]1CCO[C@H](C2CC[NH+](CCCc3cccc(F)c3)CC2)C1 ZINC000420386614 296184414 /nfs/dbraw/zinc/18/44/14/296184414.db2.gz IWKKYHGWQHJSAJ-MOPGFXCFSA-N 2 0 320.452 2.977 20 0 DFADRP C[C@@H]1CC[N@H+](CCCc2nc(-c3ccccc3)no2)C[C@@H]1C[NH3+] ZINC000420385237 296184437 /nfs/dbraw/zinc/18/44/37/296184437.db2.gz SPSRTVKPQJXXFF-ZBFHGGJFSA-N 2 0 314.433 2.586 20 0 DFADRP CCc1ccccc1C[NH+]1CCC([C@@H]2C[C@@H]([NH3+])CCO2)CC1 ZINC000420396016 296185844 /nfs/dbraw/zinc/18/58/44/296185844.db2.gz VAWSHTIIZBLKNP-OALUTQOASA-N 2 0 302.462 2.967 20 0 DFADRP Cn1cnc2cc(C[NH+]3CCC(CC[NH+](C)C)CC3)ccc21 ZINC000271704070 209141383 /nfs/dbraw/zinc/14/13/83/209141383.db2.gz DTPGFMVBRGKZBR-UHFFFAOYSA-N 2 0 300.450 2.737 20 0 DFADRP CCN1CC[C@H]([NH2+]CCC[NH2+]C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000420422369 296188138 /nfs/dbraw/zinc/18/81/38/296188138.db2.gz ZICJLYORLSTMMB-HOTGVXAUSA-N 2 0 313.848 2.814 20 0 DFADRP C[C@@H]1CC[N@H+](CC(=O)Nc2ccccc2Nc2cc[nH+]cc2)C1 ZINC000614255117 399189986 /nfs/dbraw/zinc/18/99/86/399189986.db2.gz OGTCPKFEZFQKRS-CQSZACIVSA-N 2 0 310.401 2.527 20 0 DFADRP C[C@@H]([NH2+]C(C)(C)CNC(=O)[C@H]1CCCC[N@@H+]1C)c1ccccc1 ZINC000600996964 399198786 /nfs/dbraw/zinc/19/87/86/399198786.db2.gz OKDSUEBXAPCFOQ-NVXWUHKLSA-N 2 0 317.477 2.716 20 0 DFADRP C[N@@H+]1CCCC[C@H]1CCC(=O)N[C@H]1CC[NH+](C2CCCCC2)C1 ZINC000622172512 399213543 /nfs/dbraw/zinc/21/35/43/399213543.db2.gz NRJKVPBFQALRNM-IRXDYDNUSA-N 2 0 321.509 2.774 20 0 DFADRP COCCSCCC[NH+]1CCC(C[N@H+](C)C(C)C)CC1 ZINC000618746082 399227921 /nfs/dbraw/zinc/22/79/21/399227921.db2.gz AIPGOBHLKJTKLB-UHFFFAOYSA-N 2 0 302.528 2.808 20 0 DFADRP C[C@@H]1[C@H](C(=O)OC(C)(C)C)CCC[N@@H+]1CC[C@@H]1CCC[NH+]1C ZINC000420922370 296212520 /nfs/dbraw/zinc/21/25/20/296212520.db2.gz FOWUQVUTJHSBRN-OWCLPIDISA-N 2 0 310.482 2.913 20 0 DFADRP COc1ccc([C@@H](C)C[NH+]2CCC(OCC[NH+](C)C)CC2)cc1 ZINC000342950768 284447276 /nfs/dbraw/zinc/44/72/76/284447276.db2.gz JECMZGLGEQGLSL-INIZCTEOSA-N 2 0 320.477 2.841 20 0 DFADRP Cn1cc(Cl)c(CN2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)n1 ZINC000420933979 296214247 /nfs/dbraw/zinc/21/42/47/296214247.db2.gz JHNYCFLDLWLUPF-BLLLJJGKSA-N 2 0 308.857 2.522 20 0 DFADRP CC[N@@H+]1CC[C@@H]([NH+](C)CCc2nc3ccccc3n2C)[C@H](C)C1 ZINC000267447228 206073141 /nfs/dbraw/zinc/07/31/41/206073141.db2.gz KMBCZUNKVIWJBF-NVXWUHKLSA-N 2 0 314.477 2.778 20 0 DFADRP CO[C@]1(C)CCC[N@H+](Cc2ccc(CN3CCOCC3)cc2)C1 ZINC000420964075 296218648 /nfs/dbraw/zinc/21/86/48/296218648.db2.gz NEQZOMFVZLGYEK-LJQANCHMSA-N 2 0 318.461 2.520 20 0 DFADRP CC[C@H](C(=O)N1CC[NH+](C2CCC(C(C)C)CC2)CC1)[NH+](C)C ZINC000622422226 399252977 /nfs/dbraw/zinc/25/29/77/399252977.db2.gz ZVJKYBFTBXVWBG-DAWZGUTISA-N 2 0 323.525 2.686 20 0 DFADRP C[C@@H]1C[C@H]([NH2+]Cc2ccc(Oc3cnccn3)cc2)CC[N@@H+]1C ZINC000608385123 399258258 /nfs/dbraw/zinc/25/82/58/399258258.db2.gz IANAZUDJINLFFI-GDBMZVCRSA-N 2 0 312.417 2.841 20 0 DFADRP C[C@H]1C[C@H]([NH2+]Cc2ccc(Oc3cnccn3)cc2)CC[N@@H+]1C ZINC000608385124 399258284 /nfs/dbraw/zinc/25/82/84/399258284.db2.gz IANAZUDJINLFFI-GOEBONIOSA-N 2 0 312.417 2.841 20 0 DFADRP CO[C@@H]1[C@H](C)[C@@H]([NH2+]C2CCN(c3cc[nH+]cc3)CC2)C1(C)C ZINC000421346482 296246295 /nfs/dbraw/zinc/24/62/95/296246295.db2.gz YXRFCNWNAMPKMC-KBRIMQKVSA-N 2 0 303.450 2.700 20 0 DFADRP Cc1csc(N2CCC([NH2+]C3CCC([NH+](C)C)CC3)CC2)n1 ZINC000421373402 296249944 /nfs/dbraw/zinc/24/99/44/296249944.db2.gz NQTUUEIQOXJQJI-UHFFFAOYSA-N 2 0 322.522 2.883 20 0 DFADRP C[NH+](C)C1CCC([NH2+]Cc2cccc3c2OC(F)(F)O3)CC1 ZINC000421374087 296250063 /nfs/dbraw/zinc/25/00/63/296250063.db2.gz NGYVXEXDWHSLOX-UHFFFAOYSA-N 2 0 312.360 2.971 20 0 DFADRP CC(C)[NH+]1CCC(O)(C[NH2+]Cc2cccc(C3CC3)c2)CC1 ZINC000421371455 296249768 /nfs/dbraw/zinc/24/97/68/296249768.db2.gz XVPCQUKSWQHXJO-UHFFFAOYSA-N 2 0 302.462 2.889 20 0 DFADRP CN(CCC[NH2+]Cc1ccc(C(F)(F)F)cc1)CC[NH+](C)C ZINC000623088339 399324790 /nfs/dbraw/zinc/32/47/90/399324790.db2.gz HGAOQCXZCCOQHM-UHFFFAOYSA-N 2 0 317.399 2.679 20 0 DFADRP Clc1ccc(N2CC[NH+](CC[C@H]3CCC[NH2+]C3)CC2)cc1 ZINC000051919407 425883400 /nfs/dbraw/zinc/88/34/00/425883400.db2.gz LKJKGTCRWKXMAS-OAHLLOKOSA-N 2 0 307.869 2.852 20 0 DFADRP CCC[C@H](C(=O)OCC)[N@@H+]1CC[C@H](CNc2cc(C)cc[nH+]2)C1 ZINC000609635920 399328023 /nfs/dbraw/zinc/32/80/23/399328023.db2.gz XLNMMHPSZVAIPE-HZPDHXFCSA-N 2 0 319.449 2.856 20 0 DFADRP COCC[N@H+](C)CCC[NH2+][C@H](C)Cc1ccc(F)cc1Cl ZINC000421818379 296276765 /nfs/dbraw/zinc/27/67/65/296276765.db2.gz AOPAZPDRFCRBBR-CYBMUJFWSA-N 2 0 316.848 2.968 20 0 DFADRP C[C@@H]([NH2+]C1CCC([NH+](C)C)CC1)c1cccc(-n2ccnn2)c1 ZINC000421879078 296278569 /nfs/dbraw/zinc/27/85/69/296278569.db2.gz OLCMVEMKTUFNEB-ODIFPOPNSA-N 2 0 313.449 2.791 20 0 DFADRP CC(C)c1ncc2c(n1)CC[N@@H+](CCCC1CC[NH2+]CC1)C2 ZINC000623232416 399343651 /nfs/dbraw/zinc/34/36/51/399343651.db2.gz JEVUVEBBQLWISW-UHFFFAOYSA-N 2 0 302.466 2.738 20 0 DFADRP CC[N@H+](Cc1ccc(C(=O)N2CC(C[NH+](C)C)C2)cc1)C(C)C ZINC000615510749 399345296 /nfs/dbraw/zinc/34/52/96/399345296.db2.gz VLQANPNUFZXENX-UHFFFAOYSA-N 2 0 317.477 2.551 20 0 DFADRP Cc1cc(C[NH2+][C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]23)n(C)n1 ZINC000284569671 218081684 /nfs/dbraw/zinc/08/16/84/218081684.db2.gz YRTNKTMABOFIFL-MISYRCLQSA-N 2 0 324.472 2.729 20 0 DFADRP CC[N@H+](C)[C@@H](C(=O)NCC[NH+](C)C1CCCC1)c1ccccc1 ZINC000104928062 194053032 /nfs/dbraw/zinc/05/30/32/194053032.db2.gz BYUPGUYLORTYIE-GOSISDBHSA-N 2 0 317.477 2.670 20 0 DFADRP Cn1ccnc1-c1cccc(NC(=O)CCCn2ccnc2)c1 ZINC000623268969 399350551 /nfs/dbraw/zinc/35/05/51/399350551.db2.gz DEODWDCLPMZWEN-UHFFFAOYSA-N 2 0 309.373 2.703 20 0 DFADRP C[N@@H+]1CC[C@@H](NC[C@@H](c2ccco2)[NH+]2CCCC2)CC1(C)C ZINC000623336806 399365689 /nfs/dbraw/zinc/36/56/89/399365689.db2.gz GBZMXSQMQSJOOX-CVEARBPZSA-N 2 0 305.466 2.879 20 0 DFADRP COC(=O)c1ccc(Cl)c(CN[C@@H]2CC[NH2+]CC(C)(C)C2)c1 ZINC000601974788 399372432 /nfs/dbraw/zinc/37/24/32/399372432.db2.gz VEPIBPVLCZITCD-CQSZACIVSA-N 2 0 324.852 2.994 20 0 DFADRP COc1cccc(CC[NH2+][C@H]2CC[N@H+](C)C(C)(C)C2)c1OC ZINC000623362693 399373212 /nfs/dbraw/zinc/37/32/12/399373212.db2.gz FOWHENUNEWJKDF-HNNXBMFYSA-N 2 0 306.450 2.709 20 0 DFADRP COCC[NH+]1CCC(NCc2csc(C(F)(F)F)c2)CC1 ZINC000623378200 399375696 /nfs/dbraw/zinc/37/56/96/399375696.db2.gz WWKBAXAUJFNVBN-UHFFFAOYSA-N 2 0 322.396 2.967 20 0 DFADRP C[N@@H+]1CC[C@H]([NH2+]CCN2CCc3sccc3C2)CC1(C)C ZINC000623372423 399373955 /nfs/dbraw/zinc/37/39/55/399373955.db2.gz ULTZVWCFTAZYJI-HNNXBMFYSA-N 2 0 307.507 2.569 20 0 DFADRP C[N@@H+]1CC[C@@H]([NH2+]CCNC(=O)c2ccc(Cl)cc2)CC1(C)C ZINC000623380581 399376417 /nfs/dbraw/zinc/37/64/17/399376417.db2.gz FXUFUASKLADANU-OAHLLOKOSA-N 2 0 323.868 2.532 20 0 DFADRP CC[NH+]1CCC(C[NH2+]Cc2ccc(F)c(F)c2N(C)C)CC1 ZINC000623403356 399381380 /nfs/dbraw/zinc/38/13/80/399381380.db2.gz SMPVDEGKHBXECF-UHFFFAOYSA-N 2 0 311.420 2.852 20 0 DFADRP CC(C)[NH+]1CCN(CCC[N@@H+]2CCC=C(c3ccco3)C2)CC1 ZINC000285233224 218342902 /nfs/dbraw/zinc/34/29/02/218342902.db2.gz GBTQJMBNUKDQCF-UHFFFAOYSA-N 2 0 317.477 2.785 20 0 DFADRP COC(=O)c1coc([C@H](C)NCC[C@H]([NH3+])Cc2ccccc2)c1 ZINC000602023006 399386253 /nfs/dbraw/zinc/38/62/53/399386253.db2.gz VRRKGGXYWOBMOQ-BBRMVZONSA-N 2 0 316.401 2.677 20 0 DFADRP CCOC(=O)C1([C@H](C)[NH2+]Cc2csc(C)c2C)CC[NH2+]CC1 ZINC000602021575 399386285 /nfs/dbraw/zinc/38/62/85/399386285.db2.gz PUBQQFYFKGTXLF-AWEZNQCLSA-N 2 0 324.490 2.776 20 0 DFADRP COc1ccc(O[C@H](C)C[NH2+][C@H]2CC[N@H+](C)C(C)(C)C2)cc1 ZINC000623432832 399388914 /nfs/dbraw/zinc/38/89/14/399388914.db2.gz LTFDXXHOHJRENE-CABCVRRESA-N 2 0 306.450 2.925 20 0 DFADRP CC[NH+](CC)Cc1cccc(C[NH2+]Cc2c(C)cnn2C)c1 ZINC000285360165 218396319 /nfs/dbraw/zinc/39/63/19/218396319.db2.gz FDDDSHFEUCTUFT-UHFFFAOYSA-N 2 0 300.450 2.860 20 0 DFADRP C[N@@H+]1CCCN(CCC[NH2+][C@H]2CCC[C@@H]2c2ccccc2)CC1 ZINC000268837556 207002799 /nfs/dbraw/zinc/00/27/99/207002799.db2.gz BVPRTFTZNXWPHB-UXHICEINSA-N 2 0 315.505 2.940 20 0 DFADRP COc1ccc(C[C@@H](C)C[NH+]2CCC3(CC[NH2+]3)CC2)cc1F ZINC000422560943 296312595 /nfs/dbraw/zinc/31/25/95/296312595.db2.gz IHIZZHXSGQYGTI-CQSZACIVSA-N 2 0 306.425 2.841 20 0 DFADRP C[N@@H+]1CCCN(CCC[NH2+][C@H]2CCC[C@H]2c2ccccc2)CC1 ZINC000268837555 207003470 /nfs/dbraw/zinc/00/34/70/207003470.db2.gz BVPRTFTZNXWPHB-PMACEKPBSA-N 2 0 315.505 2.940 20 0 DFADRP COCC[N@H+](C)CCC[NH2+][C@H](C)c1cc(OC)c(OC)cc1C ZINC000268853991 207021513 /nfs/dbraw/zinc/02/15/13/207021513.db2.gz XDORPDRIXGNAKC-OAHLLOKOSA-N 2 0 324.465 2.631 20 0 DFADRP C[NH+](C)CCCC[NH2+]C1CCN(CCc2ccccc2)CC1 ZINC000268875952 207044885 /nfs/dbraw/zinc/04/48/85/207044885.db2.gz DUOZOOQGQCCSKW-UHFFFAOYSA-N 2 0 303.494 2.625 20 0 DFADRP CC[N@@H+]1CC[C@@H]([NH2+]CCc2nc3c(cccc3C)o2)[C@H](C)C1 ZINC000268880112 207051441 /nfs/dbraw/zinc/05/14/41/207051441.db2.gz AVTXGMAJRMSZNU-HUUCEWRRSA-N 2 0 301.434 2.999 20 0 DFADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1N[C@@H]1CC[NH+](C)C(C)(C)C1 ZINC000623493625 399401273 /nfs/dbraw/zinc/40/12/73/399401273.db2.gz LWLRJFCVDHNIGW-BHIYHBOVSA-N 2 0 315.505 2.969 20 0 DFADRP CC(C)Oc1cccc([C@H](O)C[NH2+][C@@H]2C[C@@H](C)[N@H+](C)C[C@H]2C)c1 ZINC000268891461 207060985 /nfs/dbraw/zinc/06/09/85/207060985.db2.gz JUTUIDGGNIWLFM-OHDICMOHSA-N 2 0 320.477 2.826 20 0 DFADRP CCn1ccnc1[C@H]1OCCC[C@@H]1[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623499479 399402439 /nfs/dbraw/zinc/40/24/39/399402439.db2.gz HRFIPWAZLRGHBH-JYJNAYRXSA-N 2 0 320.481 2.586 20 0 DFADRP c1ccc(NCCCC[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)nc1 ZINC000422705591 296319030 /nfs/dbraw/zinc/31/90/30/296319030.db2.gz SDHNVYGPZITYDY-BBWFWOEESA-N 2 0 302.466 2.784 20 0 DFADRP CC[C@H](C[NH2+][C@@H]1CCOC[C@@H]1[C@H]1CCC[NH2+]1)c1ccccc1 ZINC000422709775 296319660 /nfs/dbraw/zinc/31/96/60/296319660.db2.gz FBGBEHRQFQJEBT-NXWXRZEISA-N 2 0 302.462 2.927 20 0 DFADRP Cc1nc(C[NH3+])ccc1[C@@H](C)NCC[N@H+](C)C1CCCCC1 ZINC000422706453 296319187 /nfs/dbraw/zinc/31/91/87/296319187.db2.gz UJIPQLHEUALPBA-CQSZACIVSA-N 2 0 304.482 2.764 20 0 DFADRP C[C@@H]([NH2+]CCCC[N@@H+]1CCC[C@H]1CO)c1ccc2c(c1)COC2 ZINC000268934974 207098613 /nfs/dbraw/zinc/09/86/13/207098613.db2.gz RLLNALSZONDICC-BEFAXECRSA-N 2 0 318.461 2.604 20 0 DFADRP CC[NH+](CC)C[C@H](C)N[C@@H](c1ccc(OC)cc1)[C@H]1CCC[NH2+]1 ZINC000422707775 296319288 /nfs/dbraw/zinc/31/92/88/296319288.db2.gz AWGXVEGPOXTXAC-IPELMVKDSA-N 2 0 319.493 2.808 20 0 DFADRP CC[NH+](CC)C[C@H](C)N[C@H](c1ccc(OC)cc1)[C@@H]1CCC[NH2+]1 ZINC000422707778 296319455 /nfs/dbraw/zinc/31/94/55/296319455.db2.gz AWGXVEGPOXTXAC-ZYSHUDEJSA-N 2 0 319.493 2.808 20 0 DFADRP CCOC(=O)C1([C@H](C)[NH2+][C@H](C)c2ccc(C)cc2)CC[NH2+]CC1 ZINC000422711365 296320327 /nfs/dbraw/zinc/32/03/27/296320327.db2.gz FVQAXRZZCFBKBQ-CVEARBPZSA-N 2 0 318.461 2.967 20 0 DFADRP COc1ccccc1[C@H](C[NH2+][C@@H](C)C[C@H](C)[NH3+])N1CCCCC1 ZINC000422709299 296319805 /nfs/dbraw/zinc/31/98/05/296319805.db2.gz KIBXIXCPUVAJQN-BQFCYCMXSA-N 2 0 319.493 2.938 20 0 DFADRP C[C@H](C[NH2+][C@@H]1CCCC[C@@H]1C[NH3+])N1CCc2sccc2C1 ZINC000422709119 296319905 /nfs/dbraw/zinc/31/99/05/296319905.db2.gz CUGLOVJQAQAQHI-IIAWOOMASA-N 2 0 307.507 2.602 20 0 DFADRP [NH3+]CC1CCC([NH2+]C[C@@H]2CC[N@H+](CCc3ccccc3)C2)CC1 ZINC000422712623 296320020 /nfs/dbraw/zinc/32/00/20/296320020.db2.gz IQKVINXHMFYPCW-GPJFCIFZSA-N 3 0 315.505 2.658 20 0 DFADRP C[C@@H](NC[C@H]1CC[N@H+](CCc2ccccc2)C1)[C@H]1CCCC[NH2+]1 ZINC000422718533 296321000 /nfs/dbraw/zinc/32/10/00/296321000.db2.gz PWAXDVLAWVLGKX-MISYRCLQSA-N 2 0 315.505 2.671 20 0 DFADRP C[C@H]([NH3+])[C@H]1COCC[C@H]1[NH2+]CC(C)(C)c1ccccc1Cl ZINC000422715560 296320579 /nfs/dbraw/zinc/32/05/79/296320579.db2.gz SGCDZMNHCACKBO-WOSRLPQWSA-N 2 0 310.869 2.960 20 0 DFADRP C[N@@H+]1CC[C@H](NCc2c(F)cccc2-n2cccn2)CC1(C)C ZINC000623542184 399412252 /nfs/dbraw/zinc/41/22/52/399412252.db2.gz QHHBLOVJMBICRU-AWEZNQCLSA-N 2 0 316.424 2.974 20 0 DFADRP Cc1[nH]c2ccc(C[NH2+][C@@H]3CCOC[C@H]3[C@H](C)[NH3+])cc2c1C ZINC000422721794 296321294 /nfs/dbraw/zinc/32/12/94/296321294.db2.gz OIXZHEMROUWYJD-AFAVFJNCSA-N 2 0 301.434 2.627 20 0 DFADRP CCOc1cc(C[NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)c(F)cc1OC ZINC000623560776 399416178 /nfs/dbraw/zinc/41/61/78/399416178.db2.gz RPNKGVSDAKSVJI-XBXGTLAGSA-N 2 0 310.413 2.663 20 0 DFADRP C[C@H](NC1CC[NH+](Cc2ccc(F)cc2)CC1)[C@H]1CCCC[NH2+]1 ZINC000422725024 296322129 /nfs/dbraw/zinc/32/21/29/296322129.db2.gz XIGIDLOJJXVVEY-HNAYVOBHSA-N 2 0 319.468 2.910 20 0 DFADRP C[C@H](N[C@@H](C[N@@H+]1CCc2ccccc2C1)C(C)(C)C)C1C[NH2+]C1 ZINC000422725377 296322166 /nfs/dbraw/zinc/32/21/66/296322166.db2.gz BFEBMHKJFMPCRT-KXBFYZLASA-N 2 0 315.505 2.657 20 0 DFADRP COc1cccc([C@H](C[NH2+][C@H]2CC[N@H+](C)C(C)(C)C2)OC)c1 ZINC000623587417 399422968 /nfs/dbraw/zinc/42/29/68/399422968.db2.gz PZVCPENPSMDNPJ-RDJZCZTQSA-N 2 0 306.450 2.845 20 0 DFADRP O[C@H]1CCC[C@@H]1[NH+]1CCC([NH2+]Cc2cccc3[nH]ccc32)CC1 ZINC000268988910 207146083 /nfs/dbraw/zinc/14/60/83/207146083.db2.gz UWJVNLSEZFMZTH-OALUTQOASA-N 2 0 313.445 2.635 20 0 DFADRP C[C@@H](C[C@H]1CCCCC[NH2+]1)[NH2+]CC1(C(=O)N(C)C)CCCC1 ZINC000422730590 296323059 /nfs/dbraw/zinc/32/30/59/296323059.db2.gz MFPLCUHMLAPTOE-JKSUJKDBSA-N 2 0 309.498 2.535 20 0 DFADRP C[C@@H]([NH2+][C@@H](C)CC[NH+](C)C)c1cccc(OCC[NH+](C)C)c1 ZINC000268995774 207154675 /nfs/dbraw/zinc/15/46/75/207154675.db2.gz KNJPWHQLMCOFQJ-JKSUJKDBSA-N 3 0 307.482 2.618 20 0 DFADRP CO[C@@H](C[NH2+][C@H](C)c1ccc(OCC[NH+](C)C)cc1)C(C)C ZINC000268998664 207155574 /nfs/dbraw/zinc/15/55/74/207155574.db2.gz UFZJTXFLIDEEFR-QAPCUYQASA-N 2 0 308.466 2.949 20 0 DFADRP C[NH+]1CCC(C[NH2+][C@H](c2ccc(F)cc2)c2cnccn2)CC1 ZINC000346554607 284891224 /nfs/dbraw/zinc/89/12/24/284891224.db2.gz IVIDFNCVVZSYSM-GOSISDBHSA-N 2 0 314.408 2.637 20 0 DFADRP CC(C)[NH+]1CCC(O)(C[NH2+]C[C@H](C)Cc2ccccc2)CC1 ZINC000273214684 210592578 /nfs/dbraw/zinc/59/25/78/210592578.db2.gz OAEGHQUJEICBBF-QGZVFWFLSA-N 2 0 304.478 2.690 20 0 DFADRP c1ccc(C[NH2+]CCN2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000060833539 184156349 /nfs/dbraw/zinc/15/63/49/184156349.db2.gz JKIDTOZGYQEUIZ-UHFFFAOYSA-N 2 0 309.457 2.594 20 0 DFADRP C[C@@H](CC(=O)Nc1ccccc1)[NH2+]C[C@@H]1CCCC[N@H+](C)C1 ZINC000623655642 399437298 /nfs/dbraw/zinc/43/72/98/399437298.db2.gz AZOAMXRMCGLOAM-HOTGVXAUSA-N 2 0 303.450 2.725 20 0 DFADRP COc1ccc2c(c1)C[C@H]([NH2+]C[C@@H]1CCCC[N@H+](C)C1)CC2 ZINC000623657687 399438099 /nfs/dbraw/zinc/43/80/99/399438099.db2.gz WPCHTLDFWBTIOH-MAUKXSAKSA-N 2 0 302.462 2.874 20 0 DFADRP C[N@@H+]1CCCC[C@H](C[NH2+]Cc2c[nH]nc2-c2ccsc2)C1 ZINC000623657678 399438192 /nfs/dbraw/zinc/43/81/92/399438192.db2.gz WMCOLNUQDKFWIH-CYBMUJFWSA-N 2 0 304.463 2.960 20 0 DFADRP CC[N@@H+]1CC[C@@H](N(C)Cc2cc(C(=O)OC)cs2)[C@@H](C)C1 ZINC000602475646 399455477 /nfs/dbraw/zinc/45/54/77/399455477.db2.gz LXTBOYWVYDEJDH-SWLSCSKDSA-N 2 0 310.463 2.697 20 0 DFADRP COC(=O)C(C)(C)[C@H]1CCC[N@H+](CC[C@H]2CCCC[NH+]2C)C1 ZINC000611322981 399462198 /nfs/dbraw/zinc/46/21/98/399462198.db2.gz ILVCBTGNVQPSPZ-JKSUJKDBSA-N 2 0 310.482 2.772 20 0 DFADRP C[C@@H]([NH2+][C@@H](C)c1ccc([S@](C)=O)cc1)C1CC[NH+](C)CC1 ZINC000611337477 399463054 /nfs/dbraw/zinc/46/30/54/399463054.db2.gz OYHCTXQNVIVSDV-QTCYRWPVSA-N 2 0 308.491 2.805 20 0 DFADRP C[N@@H+]1CCC[C@@H]1CC[NH+]1CCC([C@H](O)c2ccccc2)CC1 ZINC000269138760 207269722 /nfs/dbraw/zinc/26/97/22/207269722.db2.gz YQOYSQAYSABZDX-RTBURBONSA-N 2 0 302.462 2.916 20 0 DFADRP COC(=O)c1cc(C[NH2+]CCCC[N@@H+]2CCC[C@H](C)C2)[nH]c1C ZINC000602513294 399464600 /nfs/dbraw/zinc/46/46/00/399464600.db2.gz FRIIEQZCELHOLM-AWEZNQCLSA-N 2 0 321.465 2.711 20 0 DFADRP CCC[N@H+](CC)Cc1ccc(C(=O)N2CC[C@@H](C[NH2+]C)C2)cc1 ZINC000269164178 207288158 /nfs/dbraw/zinc/28/81/58/207288158.db2.gz BYYYBDMQXQZLLQ-KRWDZBQOSA-N 2 0 317.477 2.600 20 0 DFADRP CCc1ccc([C@H](C[NH2+]C2CCC(C[NH3+])CC2)N(C)C)cc1 ZINC000422734552 296323562 /nfs/dbraw/zinc/32/35/62/296323562.db2.gz SNZRCKNAPRWOOK-KVZIAJEVSA-N 2 0 303.494 2.959 20 0 DFADRP CC(C)(C[NH2+][C@@H]1CCOC[C@H]1[C@@H]1CCC[NH2+]1)c1cccs1 ZINC000422741840 296324463 /nfs/dbraw/zinc/32/44/63/296324463.db2.gz PFYFLMBCTPFXIE-SOUVJXGZSA-N 2 0 308.491 2.772 20 0 DFADRP CC[N@H+](Cc1ccc(C(=O)N2CC[C@H]([NH3+])[C@H](C)C2)cc1)C(C)C ZINC000269212774 207332043 /nfs/dbraw/zinc/33/20/43/207332043.db2.gz OLIVTSSQNWVRHF-QAPCUYQASA-N 2 0 317.477 2.726 20 0 DFADRP Cc1[nH]c2c(cc(C)cc2C[NH2+][C@@H]2CCOC[C@@H]2[C@H](C)[NH3+])c1C ZINC000422736188 296323681 /nfs/dbraw/zinc/32/36/81/296323681.db2.gz FTAWEBAGHNEOFJ-MORSLUCNSA-N 2 0 315.461 2.935 20 0 DFADRP C[C@H]([NH3+])[C@H]1COCC[C@H]1[NH2+]CC(C)(C)c1ccc(Cl)cc1 ZINC000422736586 296323691 /nfs/dbraw/zinc/32/36/91/296323691.db2.gz YFKMDXPHCGNALQ-APHBMKBZSA-N 2 0 310.869 2.960 20 0 DFADRP Cc1[nH]c2c(cc(C)cc2C[NH2+][C@@H]2CCOC[C@H]2[C@@H](C)[NH3+])c1C ZINC000422736187 296323724 /nfs/dbraw/zinc/32/37/24/296323724.db2.gz FTAWEBAGHNEOFJ-JEBQAFNWSA-N 2 0 315.461 2.935 20 0 DFADRP C[C@H]([NH2+]C(C)(C)CNC1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccccc1 ZINC000422738051 296324158 /nfs/dbraw/zinc/32/41/58/296324158.db2.gz YIQQYDVEAOENGA-QTXGHNMQSA-N 2 0 301.478 2.988 20 0 DFADRP C[C@@H](c1ccccc1)N1CC[C@@H]([NH2+][C@H]2CC[NH2+]CC[C@H]2C)C1 ZINC000422738367 296324229 /nfs/dbraw/zinc/32/42/29/296324229.db2.gz JOUZQFDAHHQXDH-JFRXWTBNSA-N 2 0 301.478 2.800 20 0 DFADRP C[C@H](NC1CC[NH+]([C@@H](C)c2ccccc2)CC1)[C@@H]1CCC[NH2+]1 ZINC000422740922 296324337 /nfs/dbraw/zinc/32/43/37/296324337.db2.gz COMRGTMJROEHHE-BXWFABGCSA-N 2 0 301.478 2.942 20 0 DFADRP CC1CC[NH+]([C@H](CN[C@@H]2CCC[C@@H]2[NH3+])c2ccccc2)CC1 ZINC000422745460 296325150 /nfs/dbraw/zinc/32/51/50/296325150.db2.gz XTORXNAOPKOAJT-IPMKNSEASA-N 2 0 301.478 2.929 20 0 DFADRP CC(C)NC(=O)[C@@H]1CCC[C@H]([NH2+][C@@H]2C[C@@H]([NH3+])c3ccccc32)C1 ZINC000422745733 296325155 /nfs/dbraw/zinc/32/51/55/296325155.db2.gz MTKHDJCCOLABPC-LTCOOKNTSA-N 2 0 315.461 2.804 20 0 DFADRP COC[C@H](CCC[NH3+])[NH2+]CCc1c(Cl)cccc1Cl ZINC000422745892 296325211 /nfs/dbraw/zinc/32/52/11/296325211.db2.gz YIYZJKNKKJIKAD-NSHDSACASA-N 2 0 305.249 2.879 20 0 DFADRP CCC[NH+](CCC)CCCNC(=O)[C@@H](C)[C@@H]([NH3+])c1ccccc1 ZINC000269234192 207360762 /nfs/dbraw/zinc/36/07/62/207360762.db2.gz FKWKGESJOJXXEX-FUHWJXTLSA-N 2 0 319.493 2.951 20 0 DFADRP Cc1nc2ccccc2n1CCC[NH2+]C1CCC(C[NH3+])CC1 ZINC000422750879 296326232 /nfs/dbraw/zinc/32/62/32/296326232.db2.gz DSWMYGQBVLSKJV-UHFFFAOYSA-N 2 0 300.450 2.842 20 0 DFADRP [NH3+][C@H]1CCC[C@@H]1[NH2+]CCCc1ccc(Br)cc1F ZINC000422751204 296326543 /nfs/dbraw/zinc/32/65/43/296326543.db2.gz AXZJDRQSPCFOON-KBPBESRZSA-N 2 0 315.230 2.990 20 0 DFADRP C[C@H]([NH2+][C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)c1cccnc1 ZINC000422754041 296327069 /nfs/dbraw/zinc/32/70/69/296327069.db2.gz DJUSVIPXPAZHIT-YJLNNSPDSA-N 2 0 309.413 2.988 20 0 DFADRP COc1ccc([C@H](CN[C@@H]2CCC[C@@H]2[NH3+])[NH+]2CCCCC2)cc1 ZINC000422755440 296327268 /nfs/dbraw/zinc/32/72/68/296327268.db2.gz HSRVYHJGYIUCDT-OTWHNJEPSA-N 2 0 317.477 2.692 20 0 DFADRP Cc1cc(F)ccc1N1CCC[C@H]([NH2+][C@@H]2CCC[C@@H]2C[NH3+])C1 ZINC000422755251 296327422 /nfs/dbraw/zinc/32/74/22/296327422.db2.gz GMTAPDUGUVQCBE-HYVNUMGLSA-N 2 0 305.441 2.820 20 0 DFADRP COc1cccc([C@H](C[NH2+]C2CCC([NH3+])CC2)N2CCCC2)c1 ZINC000422752373 296326909 /nfs/dbraw/zinc/32/69/09/296326909.db2.gz DYNUXSOWFJDXJG-TVPLGVNVSA-N 2 0 317.477 2.692 20 0 DFADRP CCOc1cc(CCC[NH2+][C@H](C)[C@@H]2CCC[NH2+]2)ccc1OC ZINC000422757465 296327648 /nfs/dbraw/zinc/32/76/48/296327648.db2.gz MVWVFRPHFRCOED-ZBFHGGJFSA-N 2 0 306.450 2.757 20 0 DFADRP CCOc1cc(CCC[NH2+][C@@H](C)[C@@H]2CC[NH2+]C2)ccc1OC ZINC000422763689 296328989 /nfs/dbraw/zinc/32/89/89/296328989.db2.gz ULLKCTWNFGKPQU-GOEBONIOSA-N 2 0 306.450 2.614 20 0 DFADRP C[C@@H]([NH2+]C1(CNC2CC[NH2+]CC2)CCCC1)c1ccccc1 ZINC000422762290 296328817 /nfs/dbraw/zinc/32/88/17/296328817.db2.gz MNTCALCJAOGDNK-MRXNPFEDSA-N 2 0 301.478 2.992 20 0 DFADRP C[C@H]([NH2+]C1(CNC2CC[NH2+]CC2)CCCC1)c1ccccc1 ZINC000422762289 296329021 /nfs/dbraw/zinc/32/90/21/296329021.db2.gz MNTCALCJAOGDNK-INIZCTEOSA-N 2 0 301.478 2.992 20 0 DFADRP CC[NH+]1CCN(CCCC[NH2+][C@H]2CCCc3scnc32)CC1 ZINC000623862009 399482216 /nfs/dbraw/zinc/48/22/16/399482216.db2.gz JADLWYOWGUHSJL-HNNXBMFYSA-N 2 0 322.522 2.528 20 0 DFADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+][C@H](CC[NH+](C)C)C(C)(C)C ZINC000422765804 296329593 /nfs/dbraw/zinc/32/95/93/296329593.db2.gz RGBIFAOROLELIR-WMLDXEAASA-N 3 0 306.498 2.866 20 0 DFADRP COc1cccc(N2CCC[C@H]([NH2+][C@@H]3CCCC[C@H]3C[NH3+])C2)c1 ZINC000422770776 296330413 /nfs/dbraw/zinc/33/04/13/296330413.db2.gz XFWHBVFVGNLYHZ-TXPKVOOTSA-N 2 0 317.477 2.771 20 0 DFADRP Cc1cc(F)ccc1N1CCC[C@H]([NH2+][C@@H]2CCC[NH2+]CC2)C1 ZINC000422769232 296329939 /nfs/dbraw/zinc/32/99/39/296329939.db2.gz VIWCFEPBUJFJGD-SJORKVTESA-N 2 0 305.441 2.835 20 0 DFADRP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]CC1(c2ccc(F)cc2)CCOCC1 ZINC000422771105 296330332 /nfs/dbraw/zinc/33/03/32/296330332.db2.gz XQHNWCWJMNJELE-YOEHRIQHSA-N 2 0 306.425 2.591 20 0 DFADRP C[C@@H](CCCC[NH3+])[NH2+]CC1(c2ccc(F)cc2)CCOCC1 ZINC000422772582 296330730 /nfs/dbraw/zinc/33/07/30/296330730.db2.gz ZMFXGZUELNCWRL-HNNXBMFYSA-N 2 0 308.441 2.981 20 0 DFADRP Cc1cc(C)c(C[NH2+][C@@H]2CCOC[C@H]2[C@H]2CCC[NH2+]2)c(C)c1 ZINC000422777392 296331428 /nfs/dbraw/zinc/33/14/28/296331428.db2.gz FMTMAHRCVLHBTB-IPMKNSEASA-N 2 0 302.462 2.859 20 0 DFADRP C[C@@H]([NH3+])[C@H](Cc1ccccc1)NC[C@@H](C)[NH+]1CCC(C)CC1 ZINC000422779809 296331620 /nfs/dbraw/zinc/33/16/20/296331620.db2.gz IXMGZEAADJSNKX-LMMKCTJWSA-N 2 0 303.494 2.655 20 0 DFADRP C[C@H]([NH2+]CCc1ccc(OCC[NH+](C)C)cc1)[C@H]1CCCCO1 ZINC000623888955 399487672 /nfs/dbraw/zinc/48/76/72/399487672.db2.gz ZTCOTPZPAIJXNB-QFBILLFUSA-N 2 0 320.477 2.717 20 0 DFADRP Cc1cc(C)c(C[NH2+][C@@H]2CCOC[C@H]2[C@@H]2CCC[NH2+]2)c(C)c1 ZINC000422777390 296331683 /nfs/dbraw/zinc/33/16/83/296331683.db2.gz FMTMAHRCVLHBTB-GBESFXJTSA-N 2 0 302.462 2.859 20 0 DFADRP CC[C@H](CCc1ccccc1)[NH2+][C@@H](C)CN1CC[NH+](C)CC1 ZINC000623889873 399488430 /nfs/dbraw/zinc/48/84/30/399488430.db2.gz YKCLQMXJTMVOIC-PKOBYXMFSA-N 2 0 303.494 2.623 20 0 DFADRP C[C@H]([NH2+]C1CCN(Cc2ccc(Cl)cc2)CC1)[C@@H]1CC[NH2+]C1 ZINC000422784077 296332352 /nfs/dbraw/zinc/33/23/52/296332352.db2.gz LVALOBHTAKYUPW-GOEBONIOSA-N 2 0 321.896 2.892 20 0 DFADRP COc1ccc(CC[NH2+][C@H]2C[C@@H]([NH3+])c3ccccc32)c(OC)c1 ZINC000422782904 296332471 /nfs/dbraw/zinc/33/24/71/296332471.db2.gz NRGRSYOGSQRETI-MSOLQXFVSA-N 2 0 312.413 2.981 20 0 DFADRP [NH3+]CC1CCC([NH2+]CCc2ccn(-c3ccc(F)cc3)n2)CC1 ZINC000422784134 296332475 /nfs/dbraw/zinc/33/24/75/296332475.db2.gz IEKPIKVXIGCSCF-UHFFFAOYSA-N 2 0 316.424 2.661 20 0 DFADRP c1cc(C[NH+]2CCCCCC2)ccc1C[NH2+]C1CC[NH2+]CC1 ZINC000422788661 296332845 /nfs/dbraw/zinc/33/28/45/296332845.db2.gz VZTNMDBXAKIJIS-UHFFFAOYSA-N 3 0 301.478 2.904 20 0 DFADRP Cc1cc(C)cc(CC[NH2+][C@@H]2CCOC[C@H]2[C@H]2CCC[NH2+]2)c1 ZINC000422788665 296333068 /nfs/dbraw/zinc/33/30/68/296333068.db2.gz SODMTKKYBNUUAY-IPMKNSEASA-N 2 0 302.462 2.593 20 0 DFADRP COc1ccc(OCC[NH2+][C@H](Cc2ccccc2)[C@@H](C)[NH3+])cc1 ZINC000422789362 296333084 /nfs/dbraw/zinc/33/30/84/296333084.db2.gz OFECLNOSDOGWBC-DNVCBOLYSA-N 2 0 314.429 2.622 20 0 DFADRP CCCCOCC[NH2+][C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422789832 296333302 /nfs/dbraw/zinc/33/33/02/296333302.db2.gz WZLAWSDYQBUNEQ-WMZOPIPTSA-N 2 0 304.434 2.649 20 0 DFADRP [NH3+]C[C@H]1CCCC[C@@H]1[NH2+]CCNc1ncc(Cl)cc1Cl ZINC000422789595 296333372 /nfs/dbraw/zinc/33/33/72/296333372.db2.gz UKCVWBVERNZZCE-MFKMUULPSA-N 2 0 317.264 2.907 20 0 DFADRP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]CCCn1cnc2ccccc21 ZINC000422792593 296333561 /nfs/dbraw/zinc/33/35/61/296333561.db2.gz XHLGELDHCXWPRT-LPHOPBHVSA-N 2 0 322.456 2.975 20 0 DFADRP C[C@@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]CCCn1cnc2ccccc21 ZINC000422792592 296333647 /nfs/dbraw/zinc/33/36/47/296333647.db2.gz XHLGELDHCXWPRT-APWZRJJASA-N 2 0 322.456 2.975 20 0 DFADRP C[C@@H]1CC[NH2+]C[C@H]1NCc1ccccc1C[NH+]1CCCCC1 ZINC000422793813 296333963 /nfs/dbraw/zinc/33/39/63/296333963.db2.gz SWEMCLDXIGZLIZ-VQIMIIECSA-N 2 0 301.478 2.760 20 0 DFADRP COC[C@H](CCC[NH3+])[NH2+]Cc1ccc2cc(OC)ccc2c1 ZINC000422795883 296334437 /nfs/dbraw/zinc/33/44/37/296334437.db2.gz IGKRXYIAFIYNRJ-KRWDZBQOSA-N 2 0 302.418 2.692 20 0 DFADRP CSCC[C@H]([NH2+][C@@H](C)CCCC[NH3+])c1nnc2ccccn21 ZINC000422794494 296334146 /nfs/dbraw/zinc/33/41/46/296334146.db2.gz GUCRIKLXRHITHV-KBPBESRZSA-N 2 0 321.494 2.631 20 0 DFADRP C[C@H](CCNC(=O)CCCCCC[NH3+])[N@H+](C)Cc1ccccc1 ZINC000269257557 207397254 /nfs/dbraw/zinc/39/72/54/207397254.db2.gz KTJPXHCHQGYOCJ-QGZVFWFLSA-N 2 0 319.493 2.922 20 0 DFADRP CC(C)c1ccc([C@H]([NH3+])CNC(=O)[C@@H](C(C)C)[C@H](C)[NH3+])cc1 ZINC000422797534 296334864 /nfs/dbraw/zinc/33/48/64/296334864.db2.gz NDQHYZKXPWTIMG-XKQJLSEDSA-N 2 0 305.466 2.545 20 0 DFADRP COc1ccc(O[C@H](C)C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)cc1 ZINC000422796882 296334887 /nfs/dbraw/zinc/33/48/87/296334887.db2.gz ZIJRRAMNBQAOLT-ZWQIFLOQSA-N 2 0 318.461 2.973 20 0 DFADRP C[C@H](C[C@H](C)[NH3+])[NH2+]C[C@H](C)Oc1ccc(Br)cc1 ZINC000422799064 296335211 /nfs/dbraw/zinc/33/52/11/296335211.db2.gz UWQSNWRPIZLXOX-TUAOUCFPSA-N 2 0 315.255 2.932 20 0 DFADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]CCc1nc(C(F)(F)F)cs1 ZINC000422801917 296335413 /nfs/dbraw/zinc/33/54/13/296335413.db2.gz COSYQMMXOFYKDR-UWVGGRQHSA-N 2 0 307.385 2.812 20 0 DFADRP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]CCCN1CCc2ccccc2C1 ZINC000422805786 296336389 /nfs/dbraw/zinc/33/63/89/296336389.db2.gz JOABGHQIIZPPIG-PKOBYXMFSA-N 2 0 301.478 2.542 20 0 DFADRP [NH3+]C[C@H]1CCCC[C@@H]1[NH2+]CCc1nc(C(F)(F)F)cs1 ZINC000422801919 296335690 /nfs/dbraw/zinc/33/56/90/296335690.db2.gz COSYQMMXOFYKDR-ZJUUUORDSA-N 2 0 307.385 2.812 20 0 DFADRP CC[C@@H](C[NH2+][C@H](C)CCCC[NH3+])N1CCc2ccccc2C1 ZINC000422802797 296335970 /nfs/dbraw/zinc/33/59/70/296335970.db2.gz DWLFGJKFNCAOAF-APWZRJJASA-N 2 0 303.494 2.930 20 0 DFADRP C[C@H]([NH3+])[C@H]1COCC[C@@H]1[NH2+]CC1(c2ccccc2)CCCC1 ZINC000422803030 296335981 /nfs/dbraw/zinc/33/59/81/296335981.db2.gz CHKGXAIMZKEERF-JQHSSLGASA-N 2 0 302.462 2.840 20 0 DFADRP CC[C@@H]1Oc2cc([C@H](C)[NH2+][C@H](C)C[C@@H](C)[NH3+])ccc2NC1=O ZINC000422809906 296336913 /nfs/dbraw/zinc/33/69/13/296336913.db2.gz MOZKBMOMFHAXNO-FJJYHAOUSA-N 2 0 305.422 2.573 20 0 DFADRP C[C@H](CCC[NH3+])[NH2+]Cc1ccc(C[NH+]2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000422809288 296336954 /nfs/dbraw/zinc/33/69/54/296336954.db2.gz LXCCHZFKCUVNHN-BRWVUGGUSA-N 3 0 319.493 2.513 20 0 DFADRP C[C@@H]([NH2+]Cc1ccc(CN2CCc3ccccc32)cc1)C1C[NH2+]C1 ZINC000422810292 296337337 /nfs/dbraw/zinc/33/73/37/296337337.db2.gz NHCDEUAJGKFPCJ-MRXNPFEDSA-N 2 0 321.468 2.947 20 0 DFADRP C[C@H](NCc1cccc(C[NH+]2CCCC2)c1)[C@@H]1CCCC[NH2+]1 ZINC000422811010 296337290 /nfs/dbraw/zinc/33/72/90/296337290.db2.gz SVLQPJCDUGOFRU-LPHOPBHVSA-N 2 0 301.478 2.903 20 0 DFADRP CC(=O)Nc1ccc(C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)cc1 ZINC000422807412 296336609 /nfs/dbraw/zinc/33/66/09/296336609.db2.gz OUPNCZDAMVFCSU-RCCFBDPRSA-N 2 0 301.434 2.655 20 0 DFADRP C[C@H](CCCC[NH3+])[NH2+][C@@H](c1nccn1C)c1ccc(F)cc1 ZINC000422815183 296338294 /nfs/dbraw/zinc/33/82/94/296338294.db2.gz XEQKJKFKWQDZSZ-CZUORRHYSA-N 2 0 304.413 2.756 20 0 DFADRP C[C@@H](CCCC[NH3+])[NH2+][C@@H](c1nccn1C)c1ccc(F)cc1 ZINC000422815184 296338301 /nfs/dbraw/zinc/33/83/01/296338301.db2.gz XEQKJKFKWQDZSZ-XJKSGUPXSA-N 2 0 304.413 2.756 20 0 DFADRP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccc(NC(=O)C2CC2)cc1 ZINC000422812915 296337603 /nfs/dbraw/zinc/33/76/03/296337603.db2.gz YIPGFULVKMXZMS-FACVHXDRSA-N 2 0 313.445 2.969 20 0 DFADRP C[C@H]1C[N@H+](Cc2cccc(C(=O)Nc3ccccc3)c2)C[C@H]1C[NH3+] ZINC000631842157 399506376 /nfs/dbraw/zinc/50/63/76/399506376.db2.gz WHQKTDGYLDREMP-MAUKXSAKSA-N 2 0 323.440 2.966 20 0 DFADRP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1[NH2+]CC(C)(C)c1cccc(Cl)c1 ZINC000422818667 296339122 /nfs/dbraw/zinc/33/91/22/296339122.db2.gz GVPIVWOXBLPBOQ-RCBQFDQVSA-N 2 0 310.869 2.960 20 0 DFADRP C[C@H](CCCC[NH3+])[NH2+][C@H](c1nccn1C)c1ccc(F)cc1 ZINC000422815182 296338524 /nfs/dbraw/zinc/33/85/24/296338524.db2.gz XEQKJKFKWQDZSZ-CJNGLKHVSA-N 2 0 304.413 2.756 20 0 DFADRP CC[C@H](NCC[N@H+](C)Cc1ccc(F)cc1)[C@H]1CCCC[NH2+]1 ZINC000422820902 296339446 /nfs/dbraw/zinc/33/94/46/296339446.db2.gz SVKCMCRPSIUDTK-ZWKOTPCHSA-N 2 0 307.457 2.768 20 0 DFADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+][C@H]1CCCN(Cc2ccccc2)C1 ZINC000422830473 296341084 /nfs/dbraw/zinc/34/10/84/296341084.db2.gz IGHJSQKYEALYDC-NZSAHSFTSA-N 2 0 301.478 2.629 20 0 DFADRP C[C@@H](CCC[NH3+])[NH2+]Cc1nccn1CCCc1ccccc1 ZINC000422826769 296340268 /nfs/dbraw/zinc/34/02/68/296340268.db2.gz CMNFPJKUXNXUGK-INIZCTEOSA-N 2 0 300.450 2.733 20 0 DFADRP Cc1ccc([C@H](CN[C@H](C)[C@@H]2CCC[NH2+]2)[NH+]2CCCC2)cc1 ZINC000422826724 296340377 /nfs/dbraw/zinc/34/03/77/296340377.db2.gz LYLIHVUDRVMDNV-NEWSRXKRSA-N 2 0 301.478 2.862 20 0 DFADRP Cc1ccc([C@@H](CN[C@@H](C)[C@H]2CCC[NH2+]2)[NH+]2CCCC2)cc1 ZINC000422826727 296340436 /nfs/dbraw/zinc/34/04/36/296340436.db2.gz LYLIHVUDRVMDNV-QXAKKESOSA-N 2 0 301.478 2.862 20 0 DFADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]CCc1cn2c(n1)CCCC2 ZINC000422839063 296342340 /nfs/dbraw/zinc/34/23/40/296342340.db2.gz YZABZBGKEXZFMQ-CVEARBPZSA-N 2 0 304.482 2.662 20 0 DFADRP COc1ccccc1N1CCC([NH2+][C@@H](C)[C@@H]2CCCC[NH2+]2)CC1 ZINC000422839459 296342442 /nfs/dbraw/zinc/34/24/42/296342442.db2.gz QCDZZQUHXDRFNW-RDJZCZTQSA-N 2 0 317.477 2.784 20 0 DFADRP CC[C@@H](N[C@H]1CCC[N@H+](Cc2ccccc2)C1)[C@@H]1CCC[NH2+]1 ZINC000422834054 296341914 /nfs/dbraw/zinc/34/19/14/296341914.db2.gz NGDAMSRRFTWZDK-OTWHNJEPSA-N 2 0 301.478 2.771 20 0 DFADRP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000422836152 296341959 /nfs/dbraw/zinc/34/19/59/296341959.db2.gz JIZALDYEKZKJLM-UWPGDLITSA-N 2 0 313.489 2.770 20 0 DFADRP O=C(CC[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1)N1CCCCCC1 ZINC000422844082 296343443 /nfs/dbraw/zinc/34/34/43/296343443.db2.gz KTSCAZVWUWIDCB-KZNAEPCWSA-N 2 0 321.509 2.680 20 0 DFADRP [NH3+][C@@H]1CCCCC[C@@H]1NC1CC[NH+](CCc2ccccc2)CC1 ZINC000422844131 296343469 /nfs/dbraw/zinc/34/34/69/296343469.db2.gz KXKNIORKAKQINU-UXHICEINSA-N 2 0 315.505 2.943 20 0 DFADRP C[C@@H](CCC[NH3+])[NH2+]Cc1ccc(NC(=O)c2ccncc2)cc1 ZINC000422845443 296343819 /nfs/dbraw/zinc/34/38/19/296343819.db2.gz OAWUBHNMPDQYDO-AWEZNQCLSA-N 2 0 312.417 2.551 20 0 DFADRP CC[C@H]([NH2+]C[C@H]1CCN(c2ccccc2OC)C1)[C@@H]1CCC[NH2+]1 ZINC000422846678 296344053 /nfs/dbraw/zinc/34/40/53/296344053.db2.gz GDRYYQAJTJOBLK-IKGGRYGDSA-N 2 0 317.477 2.642 20 0 DFADRP C[C@@H](C[C@H]1CCCCC[NH2+]1)[NH2+]C1CCN(CC(F)(F)F)CC1 ZINC000422854532 296345292 /nfs/dbraw/zinc/34/52/92/296345292.db2.gz AZGYVBOQPSVSNB-DZGCQCFKSA-N 2 0 321.431 2.914 20 0 DFADRP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]Cc1ccnc(OCC(F)(F)F)c1 ZINC000422854022 296345414 /nfs/dbraw/zinc/34/54/14/296345414.db2.gz CITRNHJRNBHXJV-QWHCGFSZSA-N 2 0 317.355 2.630 20 0 DFADRP Cc1cc(C)n(-c2ccc(CC[NH2+][C@H]3CCC[C@H]3C[NH3+])cc2)n1 ZINC000422856552 296345620 /nfs/dbraw/zinc/34/56/20/296345620.db2.gz GHEOGYNTDNLANH-HKUYNNGSSA-N 2 0 312.461 2.749 20 0 DFADRP Cc1cc(C)n(-c2ccc(CC[NH2+][C@H](C)C[C@H](C)[NH3+])cc2)n1 ZINC000422861648 296346546 /nfs/dbraw/zinc/34/65/46/296346546.db2.gz MUIIMJUJUJDGSB-UONOGXRCSA-N 2 0 300.450 2.747 20 0 DFADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CCN(c2c(F)cccc2F)C1 ZINC000422863936 296346793 /nfs/dbraw/zinc/34/67/93/296346793.db2.gz MCTSAUGTYSONJZ-XEZPLFJOSA-N 2 0 309.404 2.651 20 0 DFADRP Cc1ccc(OCCC[NH2+][C@@H]2CCOC[C@@H]2[C@H]2CCC[NH2+]2)cc1 ZINC000422862989 296346852 /nfs/dbraw/zinc/34/68/52/296346852.db2.gz QWJOZLIGMBNTMI-GUDVDZBRSA-N 2 0 318.461 2.511 20 0 DFADRP CCOC(=O)C1([C@@H](C)[NH2+][C@H]2CCCCC2(C)C)CC[NH2+]CC1 ZINC000422871913 296348020 /nfs/dbraw/zinc/34/80/20/296348020.db2.gz DWCCJSMXFQVVTA-CABCVRRESA-N 2 0 310.482 2.866 20 0 DFADRP C[C@@H]([NH3+])[C@@H]1CCC[N@H+](CCCc2nc(-c3cccs3)no2)C1 ZINC000315340155 532983962 /nfs/dbraw/zinc/98/39/62/532983962.db2.gz FQDLBMXAYHBWNU-CHWSQXEVSA-N 2 0 320.462 2.790 20 0 DFADRP CCOc1cccc(C[NH2+][C@H]2CCC[C@@H]2C[NH3+])c1OC(F)F ZINC000422874185 296348225 /nfs/dbraw/zinc/34/82/25/296348225.db2.gz NFXZZOGMHSHZOS-YPMHNXCESA-N 2 0 314.376 2.904 20 0 DFADRP Cc1ccc(C[NH2+][C@@H]2CCOC[C@@H]2[C@H](C)[NH3+])c(OC(C)C)c1 ZINC000422874331 296348281 /nfs/dbraw/zinc/34/82/81/296348281.db2.gz NKBZDFHYSZSZIJ-USXIJHARSA-N 2 0 306.450 2.624 20 0 DFADRP Cc1ccc(C[NH2+][C@@H]2CCOC[C@@H]2[C@@H](C)[NH3+])c(OC(C)C)c1 ZINC000422874329 296348527 /nfs/dbraw/zinc/34/85/27/296348527.db2.gz NKBZDFHYSZSZIJ-DJIMGWMZSA-N 2 0 306.450 2.624 20 0 DFADRP C[C@@H]([NH2+]Cc1ccc(C[N@H+]2C[C@H](C)C[C@H](C)C2)cc1)C1C[NH2+]C1 ZINC000422875680 296348664 /nfs/dbraw/zinc/34/86/64/296348664.db2.gz FOTVOAFIVVPIHH-IXDOHACOSA-N 3 0 315.505 2.862 20 0 DFADRP CCOc1cccc(C[NH2+][C@H](C)C[C@H](C)[NH3+])c1OC(F)F ZINC000422876147 296348856 /nfs/dbraw/zinc/34/88/56/296348856.db2.gz PWAFYXJWEPMMPY-WDEREUQCSA-N 2 0 302.365 2.902 20 0 DFADRP C[C@@H]1C[C@H]([NH2+][C@H]2CC[NH2+]CC[C@H]2C)CN1Cc1ccccc1 ZINC000422875572 296348884 /nfs/dbraw/zinc/34/88/84/296348884.db2.gz PFRLDJJEACABJC-FPAYPSAMSA-N 2 0 301.478 2.627 20 0 DFADRP Cc1ccccc1C1(C[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)CCOCC1 ZINC000422877980 296349027 /nfs/dbraw/zinc/34/90/27/296349027.db2.gz JGKMRIZGYIGRBR-JWTNVVGKSA-N 2 0 314.473 2.916 20 0 DFADRP c1cnn(-c2ccc(C[NH2+][C@@H]3CCC[C@H]3[C@H]3CCC[NH2+]3)cc2)c1 ZINC000422882908 296350013 /nfs/dbraw/zinc/35/00/13/296350013.db2.gz POHPHTUGCQHPRD-IPMKNSEASA-N 2 0 310.445 2.883 20 0 DFADRP COC[C@@H](CCC[NH3+])[NH2+]Cc1ccc(OC)cc1C(F)(F)F ZINC000422883268 296350166 /nfs/dbraw/zinc/35/01/66/296350166.db2.gz UOVYFGQWGBBARG-GFCCVEGCSA-N 2 0 320.355 2.558 20 0 DFADRP C[C@@H]([NH2+]Cc1cccc(OCC(F)(F)F)c1)[C@H]1CC[NH2+]C1 ZINC000422881454 296349747 /nfs/dbraw/zinc/34/97/47/296349747.db2.gz NQDGCEWFQKECGI-YPMHNXCESA-N 2 0 302.340 2.715 20 0 DFADRP Clc1ccccc1C[NH+]1CCC(C[NH2+][C@H]2CC[NH2+]C2)CC1 ZINC000422881989 296349750 /nfs/dbraw/zinc/34/97/50/296349750.db2.gz RPPGZYKDYYQYJY-INIZCTEOSA-N 3 0 307.869 2.504 20 0 DFADRP Cc1cc(C)n(-c2ccccc2C[NH2+][C@@H]2CC[NH2+]CC[C@@H]2C)n1 ZINC000422886693 296350959 /nfs/dbraw/zinc/35/09/59/296350959.db2.gz JPABPGYNBOCSMI-KBXCAEBGSA-N 2 0 312.461 2.967 20 0 DFADRP C[C@H](CO)[N@H+](CC[C@H]1CCC[NH+]1C)C[C@@H](C)c1ccccc1 ZINC000347410320 285038994 /nfs/dbraw/zinc/03/89/94/285038994.db2.gz AKHRWUIXMYXYRM-ZHALLVOQSA-N 2 0 304.478 2.957 20 0 DFADRP C[C@H](C[N@@H+](CC[C@H]1CCC[NH+]1C)[C@@H](C)CO)c1ccccc1 ZINC000347410322 285039249 /nfs/dbraw/zinc/03/92/49/285039249.db2.gz AKHRWUIXMYXYRM-ZIFCJYIRSA-N 2 0 304.478 2.957 20 0 DFADRP Cc1cc(C)n(-c2ccccc2C[NH2+][C@H]2CC[NH2+]CC[C@@H]2C)n1 ZINC000422886695 296350819 /nfs/dbraw/zinc/35/08/19/296350819.db2.gz JPABPGYNBOCSMI-KSSFIOAISA-N 2 0 312.461 2.967 20 0 DFADRP COc1ccc(COCCC[NH2+][C@H]2CCCCC[C@@H]2[NH3+])cc1 ZINC000422900603 296352961 /nfs/dbraw/zinc/35/29/61/296352961.db2.gz APPKUOYTXYEMLI-ROUUACIJSA-N 2 0 306.450 2.852 20 0 DFADRP CCCC[C@H](C[NH3+])NC(=O)[C@H](CC)[N@H+](C)Cc1ccccc1 ZINC000422900556 296353041 /nfs/dbraw/zinc/35/30/41/296353041.db2.gz JOLAKUINJJPUKO-SJORKVTESA-N 2 0 305.466 2.531 20 0 DFADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]CC1CC[NH+](Cc2ccccc2)CC1 ZINC000422900924 296353148 /nfs/dbraw/zinc/35/31/48/296353148.db2.gz KIKKDOIAZAAFJI-YLJYHZDGSA-N 3 0 315.505 2.876 20 0 DFADRP Cc1ccccc1C[NH+]1CCC(N[C@H](C)[C@H]2CC[NH2+]C2)CC1 ZINC000422902127 296353459 /nfs/dbraw/zinc/35/34/59/296353459.db2.gz TUBHYUJKQBRBQN-SJORKVTESA-N 2 0 301.478 2.547 20 0 DFADRP C[C@H]([NH2+]C[C@H]1CCN(c2ccc(F)cc2)C1)[C@H]1CCCC[NH2+]1 ZINC000422902669 296353504 /nfs/dbraw/zinc/35/35/04/296353504.db2.gz UXUMDLNGNJFPSF-HDMKZQKVSA-N 2 0 305.441 2.772 20 0 DFADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]Cc1ccc(N2CCCCCC2)nc1 ZINC000422894798 296351877 /nfs/dbraw/zinc/35/18/77/296351877.db2.gz ULYSWOJDKFXUOA-SJLPKXTDSA-N 2 0 316.493 2.940 20 0 DFADRP C[C@@H](CCCC[NH3+])[NH2+]Cc1ccc(N2CCC(C)CC2)nc1 ZINC000422895258 296352148 /nfs/dbraw/zinc/35/21/48/296352148.db2.gz VSIVCRBYZDGABP-INIZCTEOSA-N 2 0 304.482 2.925 20 0 DFADRP C[C@@H](CO)[C@@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000347415953 285043376 /nfs/dbraw/zinc/04/33/76/285043376.db2.gz PQUNHHBOWUDYFS-AKPRKHDMSA-N 2 0 302.462 2.789 20 0 DFADRP C[C@@H]([NH2+][C@@H](C)c1ccc(OCC(F)(F)F)cc1)C1C[NH2+]C1 ZINC000422897278 296352497 /nfs/dbraw/zinc/35/24/97/296352497.db2.gz BVFWULMZVFXFNS-WDEREUQCSA-N 2 0 302.340 2.886 20 0 DFADRP C[C@H]([NH2+][C@H]1CCCN(Cc2c(F)cccc2F)C1)[C@H]1CC[NH2+]C1 ZINC000422906481 296354412 /nfs/dbraw/zinc/35/44/12/296354412.db2.gz JWCYKOPVLVEYAK-KKUMJFAQSA-N 2 0 323.431 2.517 20 0 DFADRP CC[C@H](Nc1cccc(OCC[NH+](C)C)c1)[C@@H]1CCCC[NH2+]1 ZINC000422909611 296354502 /nfs/dbraw/zinc/35/45/02/296354502.db2.gz GLPNAFCRMBEYKY-ROUUACIJSA-N 2 0 305.466 2.960 20 0 DFADRP C[C@H]1CC[NH2+]CC[C@H]1[NH2+]CCc1nc(-c2ccncc2)cs1 ZINC000422914590 296355288 /nfs/dbraw/zinc/35/52/88/296355288.db2.gz UVZWDZMJSMKGGS-DZGCQCFKSA-N 2 0 316.474 2.725 20 0 DFADRP COC[C@H](CCC[NH3+])[NH2+][C@@H](C)c1nc(-c2ccncc2)cs1 ZINC000422914843 296355349 /nfs/dbraw/zinc/35/53/49/296355349.db2.gz WFNVSORQTDKGRD-JSGCOSHPSA-N 2 0 320.462 2.610 20 0 DFADRP CC(C)[C@@H]1OCCC[C@@H]1C[NH2+][C@@H](Cc1ccccc1)[C@H](C)[NH3+] ZINC000422921280 296355722 /nfs/dbraw/zinc/35/57/22/296355722.db2.gz PLNOHJNYSBIISB-NQYYFHDYSA-N 2 0 304.478 2.986 20 0 DFADRP COC[C@H](CCC[NH3+])[NH2+][C@@H](C)[C@@H](OC)c1ccc(Cl)cc1 ZINC000422912430 296354946 /nfs/dbraw/zinc/35/49/46/296354946.db2.gz NDLLPBPZGDMJNG-VBNZEHGJSA-N 2 0 314.857 2.760 20 0 DFADRP COc1ccc(Cl)cc1N1CC[C@H]([NH2+][C@@H](C)[C@H]2CC[NH2+]C2)C1 ZINC000422911469 296355087 /nfs/dbraw/zinc/35/50/87/296355087.db2.gz SXIVMPCFLDMANL-YDHLFZDLSA-N 2 0 323.868 2.515 20 0 DFADRP CCc1cccc2c(CC[NH2+][C@@H](CCC[NH3+])COC)c[nH]c21 ZINC000422915798 296355215 /nfs/dbraw/zinc/35/52/15/296355215.db2.gz ZBIUJDMVVKZRBB-INIZCTEOSA-N 2 0 303.450 2.616 20 0 DFADRP CC[C@H]([NH2+]CCCc1ccc2c(c1)OCCO2)[C@H]1CCCC[NH2+]1 ZINC000422929637 296356803 /nfs/dbraw/zinc/35/68/03/296356803.db2.gz QVQSGHSTBPSQBE-DLBZAZTESA-N 2 0 318.461 2.901 20 0 DFADRP COC[C@@H](CCC[NH3+])[NH2+][C@@H](C)c1cccc(OC(F)(F)F)c1 ZINC000422930610 296356870 /nfs/dbraw/zinc/35/68/70/296356870.db2.gz VFYUKLUQBMFNKE-WCQYABFASA-N 2 0 320.355 2.990 20 0 DFADRP C[C@H]1C[C@H](Nc2nccc(N3Cc4ccccc4C3)n2)CC[N@@H+]1C ZINC000623995053 399517599 /nfs/dbraw/zinc/51/75/99/399517599.db2.gz LXYQSAKYIJALKF-WMLDXEAASA-N 2 0 323.444 2.891 20 0 DFADRP [NH3+][C@@H]1CCCCC[C@H]1[NH2+]CCCc1ccc2c(c1)OCCO2 ZINC000422928511 296356289 /nfs/dbraw/zinc/35/62/89/296356289.db2.gz KVZUEEXFSPOZGE-HZPDHXFCSA-N 2 0 304.434 2.640 20 0 DFADRP C[C@H]([NH3+])[C@H]1COCC[C@H]1[NH2+]CCOc1cccc2ccccc21 ZINC000422936596 296357923 /nfs/dbraw/zinc/35/79/23/296357923.db2.gz FJJJMIALOOKZKK-BMGDILEWSA-N 2 0 314.429 2.561 20 0 DFADRP C[C@H](CCC[NH3+])[NH2+]Cc1ccccc1C[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000422940116 296358389 /nfs/dbraw/zinc/35/83/89/296358389.db2.gz IRMSHBJWSSYCPM-IKGGRYGDSA-N 3 0 319.493 2.513 20 0 DFADRP C[C@@H]([NH2+]CCc1ccc(F)c(Br)c1)[C@H]1CC[NH2+]C1 ZINC000422935954 296357464 /nfs/dbraw/zinc/35/74/64/296357464.db2.gz LJFGUUQMXJMYLF-PWSUYJOCSA-N 2 0 315.230 2.718 20 0 DFADRP CC(C)c1noc(CCC[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)n1 ZINC000422938091 296357805 /nfs/dbraw/zinc/35/78/05/296357805.db2.gz PHSDJCODTIENNO-ZNMIVQPWSA-N 2 0 306.454 2.636 20 0 DFADRP C[C@@H]([NH2+][C@@H](C)c1ccc2c(c1)OCCCO2)[C@H]1CCC[NH2+]C1 ZINC000422944377 296359036 /nfs/dbraw/zinc/35/90/36/296359036.db2.gz RWRWJCPPQHNYQK-LZWOXQAQSA-N 2 0 304.434 2.887 20 0 DFADRP CC[C@H](C)C(=O)Nc1cccc(C[NH2+][C@H](C)[C@@H]2CC[NH2+]C2)c1 ZINC000422944550 296359127 /nfs/dbraw/zinc/35/91/27/296359127.db2.gz MLSFGRBLYCKPLF-SQWLQELKSA-N 2 0 303.450 2.759 20 0 DFADRP C[C@@H](CCCC[NH3+])[NH2+]Cc1nn(-c2ccccc2)c2c1CCC2 ZINC000422946754 296359257 /nfs/dbraw/zinc/35/92/57/296359257.db2.gz PFELBAIZLAXVBG-HNNXBMFYSA-N 2 0 312.461 2.968 20 0 DFADRP Cc1nc(-c2ccc(C[NH2+][C@@H]3CCOC[C@@H]3[C@H](C)[NH3+])o2)cs1 ZINC000422948676 296359772 /nfs/dbraw/zinc/35/97/72/296359772.db2.gz RWEMBPMGEGAKNW-ZLKJLUDKSA-N 2 0 321.446 2.553 20 0 DFADRP COc1ccc(C[NH2+][C@@H]2CCOC[C@H]2[C@@H]2CCC[NH2+]2)cc1Cl ZINC000422948068 296359786 /nfs/dbraw/zinc/35/97/86/296359786.db2.gz ZKIMXKQEICKYPJ-CWRNSKLLSA-N 2 0 324.852 2.595 20 0 DFADRP C[C@H](CCCC[NH3+])[NH2+][C@H]1CCN(c2ccccc2Cl)C1=O ZINC000422956063 296360654 /nfs/dbraw/zinc/36/06/54/296360654.db2.gz KKGIYUAJIKVHMO-OCCSQVGLSA-N 2 0 309.841 2.552 20 0 DFADRP C[C@@H](CCCC[NH3+])[NH2+][C@@H]1CCN(c2ccccc2Cl)C1=O ZINC000422956061 296360659 /nfs/dbraw/zinc/36/06/59/296360659.db2.gz KKGIYUAJIKVHMO-GXTWGEPZSA-N 2 0 309.841 2.552 20 0 DFADRP c1cc(C[NH+]2CCSCC2)cc(N[C@H]2CCC[NH2+]CC2)c1 ZINC000422957374 296360744 /nfs/dbraw/zinc/36/07/44/296360744.db2.gz SZSJZLRIBGWZDK-INIZCTEOSA-N 2 0 305.491 2.789 20 0 DFADRP Cc1nccn1C[C@H](C)C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1 ZINC000422953337 296360373 /nfs/dbraw/zinc/36/03/73/296360373.db2.gz FHJLFCLLXNCMRV-NRSFXHEJSA-N 2 0 304.482 2.728 20 0 DFADRP CC[C@H]([NH2+]CCCN(C(=O)C1CCC1)C1CC1)[C@@H]1CCCC[NH2+]1 ZINC000422954193 296360397 /nfs/dbraw/zinc/36/03/97/296360397.db2.gz HFODINYLCUMVEG-ROUUACIJSA-N 2 0 321.509 2.678 20 0 DFADRP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+]Cc1cccc(CN2CCCC2=O)c1 ZINC000422953707 296360425 /nfs/dbraw/zinc/36/04/25/296360425.db2.gz GGMPMNSOEJDEPC-MSOLQXFVSA-N 2 0 315.461 2.559 20 0 DFADRP Cc1noc(C)c1[C@H](C)C[NH2+][C@H](Cc1ccccc1)[C@@H](C)[NH3+] ZINC000422962027 296361515 /nfs/dbraw/zinc/36/15/15/296361515.db2.gz BRUPZQMFVGSTOH-PBFPGSCMSA-N 2 0 301.434 2.943 20 0 DFADRP c1ccc(C2CC([NH2+][C@@H]3CCOC[C@@H]3[C@H]3CCC[NH2+]3)C2)cc1 ZINC000422962997 296361780 /nfs/dbraw/zinc/36/17/80/296361780.db2.gz DYMZFOOMRASONM-CPLYBDICSA-N 2 0 300.446 2.679 20 0 DFADRP C[C@H]1C[N@H+](C)CC[C@@H]1N(C)c1nc2ccccc2n2cncc12 ZINC000624024463 399527668 /nfs/dbraw/zinc/52/76/68/399527668.db2.gz LAUGGZZUUIRHAC-ZFWWWQNUSA-N 2 0 309.417 2.659 20 0 DFADRP COC[C@@H](CCC[NH3+])[NH2+]Cc1ccnc(OC2CCCCC2)c1 ZINC000422970490 296362929 /nfs/dbraw/zinc/36/29/29/296362929.db2.gz GJAPFXKWZIFXRL-MRXNPFEDSA-N 2 0 321.465 2.637 20 0 DFADRP CC(C)[C@H](CN[C@@H](Cc1ccccc1)[C@@H](C)[NH3+])[NH+]1CCCC1 ZINC000422967107 296362639 /nfs/dbraw/zinc/36/26/39/296362639.db2.gz SJQAOPNPHTXEDX-NEWSRXKRSA-N 2 0 303.494 2.655 20 0 DFADRP CSc1cc(C[NH2+][C@@H](C)c2ccc(C[NH3+])nc2C)ccn1 ZINC000422985090 296364182 /nfs/dbraw/zinc/36/41/82/296364182.db2.gz CAAHHCACSFXEGC-NSHDSACASA-N 2 0 302.447 2.816 20 0 DFADRP CC(C)[N@@H+]1C[C@@H](C)[C@@H](N[C@@H]2CC[NH2+][C@H](c3ccccc3)C2)C1 ZINC000422987762 296364190 /nfs/dbraw/zinc/36/41/90/296364190.db2.gz HJSDTIHRQFLRLN-YSHGAJCASA-N 2 0 301.478 2.798 20 0 DFADRP C[C@H]([NH3+])C[C@H](C)[NH2+]C[C@H](CO)Cc1ccc(C(F)(F)F)cc1 ZINC000422985748 296364276 /nfs/dbraw/zinc/36/42/76/296364276.db2.gz ADUAIWAYUWRQFR-SGMGOOAPSA-N 2 0 318.383 2.572 20 0 DFADRP CCC[N@@H+]1CC[C@H](CN[C@H]2CC[NH2+][C@H](c3ccccc3)C2)C1 ZINC000422976096 296363345 /nfs/dbraw/zinc/36/33/45/296363345.db2.gz UQFVVDQSCBCTMO-NEWSRXKRSA-N 3 0 301.478 2.801 20 0 DFADRP C[C@@H]([NH3+])C[C@@H](C)[NH2+]Cc1ccc(N2CCc3ccccc3C2)nc1 ZINC000422972533 296363352 /nfs/dbraw/zinc/36/33/52/296363352.db2.gz MAGGYMYDLROHIZ-HZPDHXFCSA-N 2 0 324.472 2.860 20 0 DFADRP C[C@@H]1C[C@H](C[NH2+][C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)CCO1 ZINC000422996634 296365136 /nfs/dbraw/zinc/36/51/36/296365136.db2.gz UEEOTCFBMHNRLV-LFEHRJTNSA-N 2 0 316.445 2.647 20 0 DFADRP Cc1cc(C[C@H](C)[NH2+][C@@H]2CCC[NH2+]CC2)n(-c2ccccc2)n1 ZINC000422994500 296364877 /nfs/dbraw/zinc/36/48/77/296364877.db2.gz HXFXWLPZOXXZFX-DOTOQJQBSA-N 2 0 312.461 2.843 20 0 DFADRP C[C@H]([NH3+])[C@H](Cc1ccccc1)NC1CC[NH+](C(C)(C)C)CC1 ZINC000422991953 296364902 /nfs/dbraw/zinc/36/49/02/296364902.db2.gz PEYYHXKPFVAQJM-YJBOKZPZSA-N 2 0 303.494 2.797 20 0 DFADRP C[N@@H+]1CCC[C@@H]2CN(c3nc4ccccc4n4cncc34)CC[C@H]21 ZINC000624041027 399533091 /nfs/dbraw/zinc/53/30/91/399533091.db2.gz HBSPNUSXHJSTAW-GDBMZVCRSA-N 2 0 321.428 2.803 20 0 DFADRP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+]CC1CCN(c2cc[nH+]cc2)CC1 ZINC000422997690 296365470 /nfs/dbraw/zinc/36/54/70/296365470.db2.gz VKBDKSBXNLZXLF-MSOLQXFVSA-N 3 0 302.466 2.548 20 0 DFADRP CC[NH+](CC)[C@H](C(=O)N[C@@H](C)c1nccn1C)c1ccccc1 ZINC000620594574 399533413 /nfs/dbraw/zinc/53/34/13/399533413.db2.gz GBSOSLXJSSNQBL-HOCLYGCPSA-N 2 0 314.433 2.680 20 0 DFADRP C[C@H](CCC[NH3+])[NH2+]Cc1cccc(COCC(F)(F)F)c1 ZINC000422997776 296365541 /nfs/dbraw/zinc/36/55/41/296365541.db2.gz BXHUISJPSQPWCE-GFCCVEGCSA-N 2 0 304.356 2.983 20 0 DFADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]CCOc1ncccc1C(F)(F)F ZINC000422999206 296365627 /nfs/dbraw/zinc/36/56/27/296365627.db2.gz SCERGADLNOYYRE-AAEUAGOBSA-N 2 0 317.355 2.586 20 0 DFADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+][C@H]1CCCN(c2ccccc2F)C1 ZINC000423008592 296367229 /nfs/dbraw/zinc/36/72/29/296367229.db2.gz AMMRMXDSJZUZBD-VYDXJSESSA-N 2 0 305.441 2.772 20 0 DFADRP COc1ccc(OC)c(CCC[NH2+][C@H](C)[C@H]2CCCC[NH2+]2)c1 ZINC000423009165 296367237 /nfs/dbraw/zinc/36/72/37/296367237.db2.gz CIVMFGACXBXWPC-RHSMWYFYSA-N 2 0 306.450 2.757 20 0 DFADRP [NH3+]C[C@@H]1CCC[C@H]1[NH2+]Cc1cccc(COCC(F)(F)F)c1 ZINC000423005344 296366439 /nfs/dbraw/zinc/36/64/39/296366439.db2.gz RNPPSIHZAQMVCH-LSDHHAIUSA-N 2 0 316.367 2.983 20 0 DFADRP Cc1ccc([C@H](Cn2ccnc2)[NH2+][C@H](C)C[C@H](C)[NH3+])c(C)c1 ZINC000423007881 296366569 /nfs/dbraw/zinc/36/65/69/296366569.db2.gz YXUBPJFZCJDODJ-JZXOWHBKSA-N 2 0 300.450 2.957 20 0 DFADRP CC[C@H]([NH2+][C@H](C)C[C@H](C)[NH3+])[C@@H](c1ccc(C)cc1)n1cncn1 ZINC000423015494 296368243 /nfs/dbraw/zinc/36/82/43/296368243.db2.gz RGCQEWAHKBIWAY-CIRFHOKZSA-N 2 0 315.465 2.670 20 0 DFADRP CC[C@H]([NH2+][C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)[C@H]1CCCO1 ZINC000423011234 296367327 /nfs/dbraw/zinc/36/73/27/296367327.db2.gz IIFWWSPWJAHWPZ-ISARSNTHSA-N 2 0 316.445 2.790 20 0 DFADRP CO[C@@H]1CCC[C@@H]1C[NH2+][C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423013116 296367485 /nfs/dbraw/zinc/36/74/85/296367485.db2.gz FEABDJAVCHTBMF-XZKMEQPCSA-N 2 0 316.445 2.647 20 0 DFADRP Fc1cc(N2CC[C@H]([NH2+][C@@H]3CCC[NH2+]CC3)C2)ccc1Cl ZINC000423025626 296369067 /nfs/dbraw/zinc/36/90/67/296369067.db2.gz ORQODEPIGXPHHT-OLZOCXBDSA-N 2 0 311.832 2.790 20 0 DFADRP COC[C@H](CCC[NH3+])[NH2+]CC1(c2ccc(F)cc2Cl)CC1 ZINC000423020730 296368413 /nfs/dbraw/zinc/36/84/13/296368413.db2.gz CWLUPIZXCLYVSK-ZDUSSCGKSA-N 2 0 314.832 2.854 20 0 DFADRP CN1CC[C@H]([NH2+][C@H]2CCC[NH2+]CC2)[C@@H]1c1ccc(Cl)cc1 ZINC000423017985 296368449 /nfs/dbraw/zinc/36/84/49/296368449.db2.gz XUSWPAMHWIXJEZ-ULQDDVLXSA-N 2 0 307.869 2.817 20 0 DFADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]CC1([C@H](C)CCO)CCC1 ZINC000423018086 296368505 /nfs/dbraw/zinc/36/85/05/296368505.db2.gz QFBDCEWAAFDDIU-KGLIPLIRSA-N 2 0 305.466 2.688 20 0 DFADRP C[C@H]([NH2+][C@@H]1CCO[C@@H]1c1ccc(Cl)c(F)c1)[C@@H]1CC[NH2+]C1 ZINC000423019447 296368511 /nfs/dbraw/zinc/36/85/11/296368511.db2.gz VRBLYJBDJOGLFZ-PBXWNFIWSA-N 2 0 312.816 2.897 20 0 DFADRP CC[C@H](CSC)[NH2+][C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423019172 296368652 /nfs/dbraw/zinc/36/86/52/296368652.db2.gz UICKGAAAITZEDN-KMFMINBZSA-N 2 0 306.475 2.974 20 0 DFADRP CN1CC[C@H]([NH2+]C2CCC([NH3+])CC2)[C@@H]1c1ccc(F)c(F)c1 ZINC000423022253 296368764 /nfs/dbraw/zinc/36/87/64/296368764.db2.gz HGZNVPKINNQZNS-SMELUJQZSA-N 2 0 309.404 2.570 20 0 DFADRP [NH3+]C[C@@H]1CCC[C@H]1[NH2+][C@H]1CCN(c2ccc(Cl)c(F)c2)C1 ZINC000423021462 296368770 /nfs/dbraw/zinc/36/87/70/296368770.db2.gz FEONPFSPEKYNBM-MQIPJXDCSA-N 2 0 311.832 2.775 20 0 DFADRP COc1ccccc1OC[C@H](C)C[NH2+]C1CCC(C[NH3+])CC1 ZINC000423021102 296368870 /nfs/dbraw/zinc/36/88/70/296368870.db2.gz DIIPPHRJGKTWAX-QQFBHYJXSA-N 2 0 306.450 2.817 20 0 DFADRP COc1ccc(C[C@@H](C)C[NH2+][C@H](C)[C@@H]2CCC[NH2+]2)cc1OC ZINC000423033968 296370161 /nfs/dbraw/zinc/37/01/61/296370161.db2.gz ZZAJLVHHMQCWAU-FMKPAKJESA-N 2 0 306.450 2.613 20 0 DFADRP CC[C@@H]([NH2+]C[C@@H](C)COc1ccccc1OC)[C@@H]1CCC[NH2+]1 ZINC000423028272 296369581 /nfs/dbraw/zinc/36/95/81/296369581.db2.gz SNFYOTYVHXHDOD-OAGGEKHMSA-N 2 0 306.450 2.830 20 0 DFADRP CC[N@H+](Cc1ccc(C(=O)N2CC[C@@H]([C@H](C)[NH3+])C2)cc1)C(C)C ZINC000272241672 285097678 /nfs/dbraw/zinc/09/76/78/285097678.db2.gz KXTLPWYRGYQYPW-MAUKXSAKSA-N 2 0 317.477 2.726 20 0 DFADRP CCC(CC)[C@@H]1C[C@H]([NH2+][C@@H]2CCOC[C@@H]2[C@H]2CCC[NH2+]2)CCO1 ZINC000423040161 296370989 /nfs/dbraw/zinc/37/09/89/296370989.db2.gz GSJRWLLOGBCAQA-NNIGNNQHSA-N 2 0 324.509 2.717 20 0 DFADRP CCC[N@H+](C)CC(C)(C)NC(=O)C[C@@H](c1ccccc1)[NH+](C)C ZINC000620622215 399545166 /nfs/dbraw/zinc/54/51/66/399545166.db2.gz HXJONIVGUDXMNE-KRWDZBQOSA-N 2 0 319.493 2.916 20 0 DFADRP CCN(CC)C(=O)C[C@H](C)[NH2+]C[C@H]1CCN1C1CCCCC1 ZINC000624077386 399545190 /nfs/dbraw/zinc/54/51/90/399545190.db2.gz IYBQBBGPYAPRQZ-DOTOQJQBSA-N 2 0 309.498 2.630 20 0 DFADRP C[C@H]([NH2+][C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)[C@H]1CCCCO1 ZINC000423044954 296371284 /nfs/dbraw/zinc/37/12/84/296371284.db2.gz RMRSFCLJHNSBML-WFEDQXDTSA-N 2 0 316.445 2.790 20 0 DFADRP c1ccc2c(c1)O[C@]1(CC[NH2+]C1)C[C@H]2[NH2+]CC[C@@H]1CCCCO1 ZINC000423043253 296371406 /nfs/dbraw/zinc/37/14/06/296371406.db2.gz OAGIEZHHPIUPKQ-KVSKMBFKSA-N 2 0 316.445 2.791 20 0 DFADRP [NH3+]C1CCC([NH2+][C@@H]2CCN(c3ccc(F)c(Cl)c3)C2)CC1 ZINC000423047770 296371759 /nfs/dbraw/zinc/37/17/59/296371759.db2.gz VTJRTBIVSNDVJL-WXRRBKDZSA-N 2 0 311.832 2.917 20 0 DFADRP CC(C)CC[C@H]1CCC[C@H]1[NH2+]CCCN1CCC[C@H]1C(N)=O ZINC000624085457 399548480 /nfs/dbraw/zinc/54/84/80/399548480.db2.gz WDZPWTUEYHXVGF-ZACQAIPSSA-N 2 0 309.498 2.521 20 0 DFADRP C[C@@H]([NH2+]Cc1cc2cc(Br)ccc2[nH]1)C1C[NH2+]C1 ZINC000423052934 296372546 /nfs/dbraw/zinc/37/25/46/296372546.db2.gz RJPSEFSSMIBYRH-SECBINFHSA-N 2 0 308.223 2.628 20 0 DFADRP CCO[C@@H]1C[C@H]([NH2+][C@@H](C)C[C@H]2CCCCC[NH2+]2)C12CCOCC2 ZINC000423054378 296372896 /nfs/dbraw/zinc/37/28/96/296372896.db2.gz UQTLDASKTPNQDL-XWTMOSNGSA-N 2 0 324.509 2.861 20 0 DFADRP COC[C@H](CCC[NH3+])[NH2+]C[C@@H](c1ccccc1)C(F)(F)F ZINC000423059550 296373582 /nfs/dbraw/zinc/37/35/82/296373582.db2.gz FTZKZIGWRVYYTA-KBPBESRZSA-N 2 0 304.356 2.676 20 0 DFADRP COC[C@@H](CCC[NH3+])[NH2+]C[C@H](c1ccccc1)C(F)(F)F ZINC000423059553 296373610 /nfs/dbraw/zinc/37/36/10/296373610.db2.gz FTZKZIGWRVYYTA-ZIAGYGMSSA-N 2 0 304.356 2.676 20 0 DFADRP CC[C@H]([NH2+]C[C@]1(O)CCC[C@H](C(F)(F)F)C1)[C@@H]1CCC[NH2+]1 ZINC000423063051 296373648 /nfs/dbraw/zinc/37/36/48/296373648.db2.gz OHCBORQDEDTDGX-XUXIUFHCSA-N 2 0 308.388 2.590 20 0 DFADRP CCOC(=O)C1([C@@H](C)[NH2+][C@H]2CCCC(C)(C)C2)CC[NH2+]CC1 ZINC000423059450 296373065 /nfs/dbraw/zinc/37/30/65/296373065.db2.gz LSLWBDGGTRZHHF-CABCVRRESA-N 2 0 310.482 2.866 20 0 DFADRP C[C@H]([NH3+])[C@@H]1COCC[C@H]1[NH2+]C[C@H](c1ccccc1)C(F)(F)F ZINC000423066597 296374295 /nfs/dbraw/zinc/37/42/95/296374295.db2.gz XJIGQQVCDZUHEY-SPWCGHHHSA-N 2 0 316.367 2.674 20 0 DFADRP C[C@@H]([NH2+]Cc1ccnc(N2CC[NH+](C)CC2)c1)c1cccs1 ZINC000159155192 197331284 /nfs/dbraw/zinc/33/12/84/197331284.db2.gz UKPLCLZXHCLTCC-CQSZACIVSA-N 2 0 316.474 2.746 20 0 DFADRP COc1cc(Br)ccc1C[NH2+][C@@H](C)C[C@H](C)[NH3+] ZINC000423065238 296374321 /nfs/dbraw/zinc/37/43/21/296374321.db2.gz SYIJLKCDNIYLMH-UWVGGRQHSA-N 2 0 301.228 2.673 20 0 DFADRP Clc1cccc2c1CCN(CC[NH2+]C1C[C@H]3CC[C@@H](C1)[NH2+]3)C2 ZINC000423064707 296374031 /nfs/dbraw/zinc/37/40/31/296374031.db2.gz ZOGZTYSJBDHHGZ-XYPWUTKMSA-N 2 0 319.880 2.571 20 0 DFADRP C[C@@H]([NH2+]Cc1ccnc(N2CC[NH+](C)CC2)c1)C1CCCC1 ZINC000159199399 197334330 /nfs/dbraw/zinc/33/43/30/197334330.db2.gz QBQXRPDODRQVEA-OAHLLOKOSA-N 2 0 302.466 2.502 20 0 DFADRP CC[NH+](CC)Cc1ccc(C(=O)N2CCCC[C@H]2C[NH+](C)C)o1 ZINC000620642615 399552346 /nfs/dbraw/zinc/55/23/46/399552346.db2.gz SVDQPVWAOQKMEQ-HNNXBMFYSA-N 2 0 321.465 2.678 20 0 DFADRP COC[C@@H](CCC[NH3+])[NH2+]Cc1cccc(C)c1Br ZINC000423075678 296375215 /nfs/dbraw/zinc/37/52/15/296375215.db2.gz XNXAJAHSPRZXMB-CYBMUJFWSA-N 2 0 315.255 2.601 20 0 DFADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]CCOCC(F)(F)C(F)F ZINC000423073597 296375261 /nfs/dbraw/zinc/37/52/61/296375261.db2.gz JFGQHOAHEGGOMZ-NEPJUHHUSA-N 2 0 314.367 2.804 20 0 DFADRP C([NH2+][C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1)[C@H]1CCCCN1C1CC1 ZINC000423075247 296375320 /nfs/dbraw/zinc/37/53/20/296375320.db2.gz OCNHKTWDAPMVQM-FCGDIQPGSA-N 2 0 305.510 2.904 20 0 DFADRP CC(C)n1ncc2c1C[C@H]([NH2+][C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1)CC2 ZINC000423069552 296374656 /nfs/dbraw/zinc/37/46/56/296374656.db2.gz DUYKKBRBNXUMQE-XMTFNYHQSA-N 2 0 316.493 2.832 20 0 DFADRP CC[C@H]([NH2+][C@@H]1CCc2cnn(C(C)C)c2C1)[C@H]1CCCC[NH2+]1 ZINC000423072554 296374899 /nfs/dbraw/zinc/37/48/99/296374899.db2.gz JPGIWKKAAYDVSL-IXDOHACOSA-N 2 0 304.482 2.832 20 0 DFADRP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1[NH2+]Cc1ccc(-c2ccco2)cc1F ZINC000423084302 296376291 /nfs/dbraw/zinc/37/62/91/296376291.db2.gz HPUUTXXUKKJYLO-NUTKFTJISA-N 2 0 318.392 2.928 20 0 DFADRP C[C@](CO)(C[NH2+][C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1)Cc1ccccc1 ZINC000423077233 296375709 /nfs/dbraw/zinc/37/57/09/296375709.db2.gz LSKOCAQKPBQZQF-MTQWCTHYSA-N 2 0 316.489 2.738 20 0 DFADRP Fc1ccc2c(c1)[C@H]([NH2+][C@@H]1CCOC[C@H]1[C@H]1CCC[NH2+]1)CCC2 ZINC000423087128 296376760 /nfs/dbraw/zinc/37/67/60/296376760.db2.gz OQAWZIMFDGUDTF-WJFTUGDTSA-N 2 0 318.436 2.950 20 0 DFADRP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1[NH2+][C@H]1CC[C@@H](c2ccc(F)cc2)C1 ZINC000423083336 296376339 /nfs/dbraw/zinc/37/63/39/296376339.db2.gz FVNHFBSIGPPRKL-CNDNWHGTSA-N 2 0 306.425 2.804 20 0 DFADRP c1cc(C2CC2)ccc1C[NH2+][C@@H]1CCOC[C@H]1[C@H]1CCC[NH2+]1 ZINC000423083290 296376393 /nfs/dbraw/zinc/37/63/93/296376393.db2.gz YNRSJJBZPGCRDH-IPMKNSEASA-N 2 0 300.446 2.811 20 0 DFADRP CC[C@H]([NH2+]C1CCN(c2nccs2)CC1)[C@@H]1CCCC[NH2+]1 ZINC000423095309 296377631 /nfs/dbraw/zinc/37/76/31/296377631.db2.gz DQNMKLCPLOPAEZ-GJZGRUSLSA-N 2 0 308.495 2.622 20 0 DFADRP C[NH+](C)Cc1ccc(C(=O)NC[C@@H]2CC[N@@H+](C(C)(C)C)C2)cc1 ZINC000616995510 399558776 /nfs/dbraw/zinc/55/87/76/399558776.db2.gz STTVUTPQGITTDD-INIZCTEOSA-N 2 0 317.477 2.598 20 0 DFADRP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1[NH2+][C@H]1C[C@H](c2cccc(Cl)c2)C1 ZINC000423104619 296379107 /nfs/dbraw/zinc/37/91/07/296379107.db2.gz YGHIFXGHUUQSSO-VCQFHVMDSA-N 2 0 308.853 2.928 20 0 DFADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]C[C@@](C)(CO)c1ccccc1 ZINC000423108711 296379405 /nfs/dbraw/zinc/37/94/05/296379405.db2.gz MNUVKIIQNVRYBY-NEWSRXKRSA-N 2 0 304.478 2.837 20 0 DFADRP CC(C)SCC[NH2+][C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423103290 296378775 /nfs/dbraw/zinc/37/87/75/296378775.db2.gz GGTRQFVTIFEMAE-RDJZCZTQSA-N 2 0 306.475 2.974 20 0 DFADRP C[C@@H](CCCC[NH3+])[NH2+][C@@H](Cn1ccccc1=O)c1ccccc1 ZINC000423107815 296378889 /nfs/dbraw/zinc/37/88/89/296378889.db2.gz FGRDLQHVOPYUEQ-WMZOPIPTSA-N 2 0 313.445 2.697 20 0 DFADRP CCC[N@H+](C)[C@@H](CN[C@@H](C)C1C[NH2+]C1)c1ccc(Cl)cc1 ZINC000423111776 296379719 /nfs/dbraw/zinc/37/97/19/296379719.db2.gz WNNZFXHTOBZMNC-GUYCJALGSA-N 2 0 309.885 2.920 20 0 DFADRP C[C@@H]([NH2+]C(C)(C)CNC(=O)[C@]1(C)CCC[NH2+]C1)c1ccccc1 ZINC000120247136 195127090 /nfs/dbraw/zinc/12/70/90/195127090.db2.gz AASAJTOLXNMLJU-DNVCBOLYSA-N 2 0 317.477 2.622 20 0 DFADRP C[C@H]([NH3+])[C@H]1COCC[C@@H]1[NH2+]C1CC(c2cccc(Cl)c2)C1 ZINC000423113061 296379959 /nfs/dbraw/zinc/37/99/59/296379959.db2.gz YGHIFXGHUUQSSO-OIJKBMDDSA-N 2 0 308.853 2.928 20 0 DFADRP CSCc1ccc(C[NH2+][C@@H]2CCOC[C@@H]2[C@@H]2CCC[NH2+]2)cc1 ZINC000423112598 296380062 /nfs/dbraw/zinc/38/00/62/296380062.db2.gz SEVQPTWKGSCIRM-FGTMMUONSA-N 2 0 320.502 2.796 20 0 DFADRP CO[C@H]1CCCC[C@@H]1[NH2+][C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423117450 296380280 /nfs/dbraw/zinc/38/02/80/296380280.db2.gz VOILQYITEMMRJQ-OGWHTMIXSA-N 2 0 316.445 2.790 20 0 DFADRP CC[NH+](CC)C[C@H]1CCN(CCC(=O)c2ccc(OC)cc2)C1 ZINC000286504112 219025142 /nfs/dbraw/zinc/02/51/42/219025142.db2.gz RJGYREGEVQTXRJ-MRXNPFEDSA-N 2 0 318.461 2.932 20 0 DFADRP COC[C@H](CCC[NH3+])[NH2+][C@@H]1CC[C@H](c2ccccc2)C[C@H]1OC ZINC000423115006 296380396 /nfs/dbraw/zinc/38/03/96/296380396.db2.gz WUQNQQNRHSXVLY-INDMIFKZSA-N 2 0 320.477 2.681 20 0 DFADRP CC(C)[N@@H+](C)C[C@H](C)N[C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423119141 296380569 /nfs/dbraw/zinc/38/05/69/296380569.db2.gz BGXKZJYVUUHIOS-WDYCEAGBSA-N 2 0 317.477 2.561 20 0 DFADRP COCc1nc(CN[C@@H]2CC[NH2+][C@@H](c3ccccc3)C2)cs1 ZINC000423120429 296380655 /nfs/dbraw/zinc/38/06/55/296380655.db2.gz GMWOXHRCWIWNIJ-GDBMZVCRSA-N 2 0 317.458 2.872 20 0 DFADRP CC(C)Cc1ccc([C@@H](CN[C@H](C)C2C[NH2+]C2)[NH+](C)C)cc1 ZINC000423118510 296380702 /nfs/dbraw/zinc/38/07/02/296380702.db2.gz AXKAZMPLHBZCAL-DNVCBOLYSA-N 2 0 303.494 2.685 20 0 DFADRP CSC1(C[NH2+][C@@H](C)C[C@H]2CCCCC[NH2+]2)CC[NH+](C)CC1 ZINC000423119898 296380831 /nfs/dbraw/zinc/38/08/31/296380831.db2.gz FAJCCXVHBPOORR-JKSUJKDBSA-N 2 0 313.555 2.714 20 0 DFADRP Cn1nccc1[C@H]1CCC[C@H]([NH2+]C[C@H]2CCCC[N@H+](C)C2)C1 ZINC000624123952 399562919 /nfs/dbraw/zinc/56/29/19/399562919.db2.gz UPSNWPZTDSPNIF-IKGGRYGDSA-N 2 0 304.482 2.768 20 0 DFADRP C[C@H](CCC[NH3+])[NH2+][C@@H]1CCCN([C@@H](C)c2ccccc2F)C1=O ZINC000423131255 296382272 /nfs/dbraw/zinc/38/22/72/296382272.db2.gz HTCNEKQBCVDSPP-JKIFEVAISA-N 2 0 321.440 2.595 20 0 DFADRP CC(C)Oc1ccc([C@H](CN[C@@H](C)[C@@H]2CCC[NH2+]2)[NH+](C)C)cc1 ZINC000423124918 296381718 /nfs/dbraw/zinc/38/17/18/296381718.db2.gz MYWDVLKQUQLJKJ-SNRMKQJTSA-N 2 0 319.493 2.807 20 0 DFADRP COc1ccc(CC[NH2+][C@@H](C)C[C@H](C)[NH3+])c(Cl)c1OC ZINC000423129185 296382010 /nfs/dbraw/zinc/38/20/10/296382010.db2.gz DZNGJLIQVAOXCO-QWRGUYRKSA-N 2 0 300.830 2.615 20 0 DFADRP C[C@H]1CC[NH2+]CC[C@@H]1[NH2+]Cc1ccc(OC(F)F)c(F)c1 ZINC000423133007 296382653 /nfs/dbraw/zinc/38/26/53/296382653.db2.gz JVOTXRXRXNXBSA-GWCFXTLKSA-N 2 0 302.340 2.905 20 0 DFADRP FC1(F)CC(C[NH2+][C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)C1 ZINC000423135101 296383116 /nfs/dbraw/zinc/38/31/16/296383116.db2.gz SONKFDNRRDDVKT-GOEBONIOSA-N 2 0 308.372 2.877 20 0 DFADRP FC1(F)CC(C[NH2+][C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)C1 ZINC000423135100 296383139 /nfs/dbraw/zinc/38/31/39/296383139.db2.gz SONKFDNRRDDVKT-GDBMZVCRSA-N 2 0 308.372 2.877 20 0 DFADRP C[C@@H]([NH2+][C@H](C)[C@H]1CC[NH2+]C1)c1ccc(-n2cccn2)c(F)c1 ZINC000423140522 296383747 /nfs/dbraw/zinc/38/37/47/296383747.db2.gz YVLQQTOLNQRHKS-NFAWXSAZSA-N 2 0 302.397 2.660 20 0 DFADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]CCc1cc(C(F)(F)F)ccn1 ZINC000423140526 296383896 /nfs/dbraw/zinc/38/38/96/296383896.db2.gz YVSJEXDRRSEFJC-BXUZGUMPSA-N 2 0 301.356 2.621 20 0 DFADRP C[C@@H]([NH2+]C[C@H]1CCN(c2ccccc2F)C1)[C@@H]1CCCC[NH2+]1 ZINC000423141530 296383957 /nfs/dbraw/zinc/38/39/57/296383957.db2.gz QNDWSPFOMCIQQP-INMHGKMJSA-N 2 0 305.441 2.772 20 0 DFADRP CSc1ccc([C@@H](C[NH2+]C2CCC([NH3+])CC2)N(C)C)cc1 ZINC000423142868 296384120 /nfs/dbraw/zinc/38/41/20/296384120.db2.gz BMNCSRBHKMGFRD-VMBOVVBDSA-N 2 0 307.507 2.871 20 0 DFADRP Cn1nc2c(c1CN[C@@H]1CC[NH2+][C@H](c3ccccc3)C1)CCCC2 ZINC000423139052 296383407 /nfs/dbraw/zinc/38/34/07/296383407.db2.gz KCAGIDOMTURXOD-APWZRJJASA-N 2 0 324.472 2.882 20 0 DFADRP CCCOc1c(OC)cc(CC[NH2+][C@@H]2CCC[C@H]2[NH3+])cc1OC ZINC000423146360 296384735 /nfs/dbraw/zinc/38/47/35/296384735.db2.gz AIJCWHHBPVJOBE-HUUCEWRRSA-N 2 0 322.449 2.505 20 0 DFADRP CC[C@@H](COCC(F)(F)F)[NH2+][C@@H](C)c1ccc(C[NH3+])nc1C ZINC000423145761 296384834 /nfs/dbraw/zinc/38/48/34/296384834.db2.gz MIJWRZPSZQPUTG-JQWIXIFHSA-N 2 0 319.371 2.857 20 0 DFADRP CC(C)(C)[N@@H+]1CC[C@H]1CNC(=O)[C@@H]1CCCC[NH+]1C1CCCC1 ZINC000617009085 399568627 /nfs/dbraw/zinc/56/86/27/399568627.db2.gz RXLIVBNIKCZMFY-IRXDYDNUSA-N 2 0 321.509 2.773 20 0 DFADRP Cc1nc(C[NH2+][C@@H](C)CCCC[NH3+])sc1Br ZINC000423157644 296386285 /nfs/dbraw/zinc/38/62/85/296386285.db2.gz MUMJLCGFJMTVOW-QMMMGPOBSA-N 2 0 306.273 2.821 20 0 DFADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]CCOc1ccc(Cl)c(F)c1 ZINC000423154367 296385756 /nfs/dbraw/zinc/38/57/56/296385756.db2.gz OVMDVXIETDSMLC-ABAIWWIYSA-N 2 0 300.805 2.836 20 0 DFADRP Cc1cc(C[NH2+][C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)ccn1 ZINC000423153428 296385863 /nfs/dbraw/zinc/38/58/63/296385863.db2.gz GMNZONVETIOCCM-MJGOQNOKSA-N 2 0 309.413 2.736 20 0 DFADRP Cc1cc(C[NH2+][C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)ccn1 ZINC000423153426 296385875 /nfs/dbraw/zinc/38/58/75/296385875.db2.gz GMNZONVETIOCCM-HKUYNNGSSA-N 2 0 309.413 2.736 20 0 DFADRP CO[C@H](C[NH2+][C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1)Cc1ccccc1 ZINC000423156643 296386056 /nfs/dbraw/zinc/38/60/56/296386056.db2.gz LJAWIBFZCAEFKF-INDMIFKZSA-N 2 0 302.462 2.754 20 0 DFADRP CCOC(=O)C1([C@@H](C)[NH2+][C@H](C)c2cccc(C)c2)CC[NH2+]CC1 ZINC000423158451 296386566 /nfs/dbraw/zinc/38/65/66/296386566.db2.gz CQTPLFKPVRFMBC-HZPDHXFCSA-N 2 0 318.461 2.967 20 0 DFADRP C[C@H]1CC[NH2+]C[C@@H]1NCC1([N@H+](C)Cc2ccccc2)CCC1 ZINC000423159221 296386594 /nfs/dbraw/zinc/38/65/94/296386594.db2.gz XPHNFAPQXWUYEB-WMZOPIPTSA-N 2 0 301.478 2.629 20 0 DFADRP C[C@H]([NH3+])[C@H]1COCC[C@H]1[NH2+]C[C@@H]1[C@@H](c2ccccc2)C1(C)C ZINC000423172353 296387639 /nfs/dbraw/zinc/38/76/39/296387639.db2.gz SLOKGHGKPPHIHF-CZIOMAOESA-N 2 0 302.462 2.768 20 0 DFADRP COc1cccc2c1C[C@H]([NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1)C2 ZINC000423173664 296388017 /nfs/dbraw/zinc/38/80/17/296388017.db2.gz ZPHBRWMIPAHEOY-XYVMCAHJSA-N 2 0 300.446 2.673 20 0 DFADRP CCSc1ccccc1[C@H](C)[NH2+]CCCN1CC[NH2+]CC1 ZINC000423175618 296388099 /nfs/dbraw/zinc/38/80/99/296388099.db2.gz FAMZUTIBKVJTLM-HNNXBMFYSA-N 2 0 307.507 2.745 20 0 DFADRP C[C@@H]([NH2+]CCCN1CC[NH2+]CC1)c1ccc(Cl)cc1Cl ZINC000423181286 296389016 /nfs/dbraw/zinc/38/90/16/296389016.db2.gz OQFXVSGZOOLQCT-GFCCVEGCSA-N 2 0 316.276 2.939 20 0 DFADRP C[C@@H](CC(=O)N(C)c1ccccc1)[NH2+]CC1([NH3+])CCCCC1 ZINC000423182254 296389184 /nfs/dbraw/zinc/38/91/84/296389184.db2.gz QJAUDHPNBSKHIA-HNNXBMFYSA-N 2 0 303.450 2.679 20 0 DFADRP Clc1cccc2c1CCC[C@@H]2[NH2+]CCCN1CC[NH2+]CC1 ZINC000423176747 296388516 /nfs/dbraw/zinc/38/85/16/296388516.db2.gz CYDLTLQZAPOBFK-KRWDZBQOSA-N 2 0 307.869 2.602 20 0 DFADRP C[C@H](CC(=O)N(C)c1ccccc1)[NH2+]CC1([NH3+])CCCCC1 ZINC000423182255 296389332 /nfs/dbraw/zinc/38/93/32/296389332.db2.gz QJAUDHPNBSKHIA-OAHLLOKOSA-N 2 0 303.450 2.679 20 0 DFADRP Clc1ccccc1C[C@@H]([NH2+]C1CC[NH2+]CC1)[C@H]1CCCO1 ZINC000423185882 296389657 /nfs/dbraw/zinc/38/96/57/296389657.db2.gz NUMXOFXWTKJXOO-IAGOWNOFSA-N 2 0 308.853 2.772 20 0 DFADRP Cc1c2ccccc2oc1[C@@H](C)[NH2+]CCCN1CC[NH2+]CC1 ZINC000423184977 296389740 /nfs/dbraw/zinc/38/97/40/296389740.db2.gz UHZUASYMPDZWGM-OAHLLOKOSA-N 2 0 301.434 2.687 20 0 DFADRP c1ccc([C@@H]2CCCC[C@@H]2[NH2+]CCCN2CC[NH2+]CC2)cc1 ZINC000423187518 296390218 /nfs/dbraw/zinc/39/02/18/296390218.db2.gz YBIDHTBKIVRQPO-OALUTQOASA-N 2 0 301.478 2.598 20 0 DFADRP C[C@@H](Cc1cn(C)c2ccc(F)cc12)[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000423191400 296390401 /nfs/dbraw/zinc/39/04/01/296390401.db2.gz STJFERNWGPXSFF-XJKSGUPXSA-N 2 0 303.425 2.980 20 0 DFADRP CC[C@H]([NH2+][C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)[C@H](O)C(C)C ZINC000423191950 296390540 /nfs/dbraw/zinc/39/05/40/296390540.db2.gz UFXSPQGGGSSSBT-QFHJOOASSA-N 2 0 318.461 2.627 20 0 DFADRP Clc1ccc([C@@H]2CC[C@@H]([NH2+]CCCN3CC[NH2+]CC3)C2)cc1 ZINC000423195223 296390792 /nfs/dbraw/zinc/39/07/92/296390792.db2.gz YYAYSGLSTGMHAC-SJLPKXTDSA-N 2 0 321.896 2.861 20 0 DFADRP C[C@H](Cc1ccc(F)cc1Br)N[C@H]1CCC[NH2+]C1 ZINC000423193889 296390941 /nfs/dbraw/zinc/39/09/41/296390941.db2.gz QYXUNKSSNGJUBV-MFKMUULPSA-N 2 0 315.230 2.861 20 0 DFADRP c1ccc(C[N@@H+]2CC[C@H](N[C@@H]3CCC[NH2+]C3)[C@@H]3CCC[C@@H]32)cc1 ZINC000423188312 296390121 /nfs/dbraw/zinc/39/01/21/296390121.db2.gz LODFVJHFLRMHNH-FYQPLNBISA-N 3 0 313.489 2.771 20 0 DFADRP COc1ccc2c(c1)C[C@@H]([NH2+]CC1([NH3+])CCCCCC1)CO2 ZINC000423197706 296391722 /nfs/dbraw/zinc/39/17/22/296391722.db2.gz ARVBUFWOCJMLPY-OAHLLOKOSA-N 2 0 304.434 2.640 20 0 DFADRP CCc1c2ccccc2oc1[C@H](C)[NH2+]CCCN1CC[NH2+]CC1 ZINC000423195573 296391137 /nfs/dbraw/zinc/39/11/37/296391137.db2.gz ZLGPHYDIDVARRJ-HNNXBMFYSA-N 2 0 315.461 2.941 20 0 DFADRP Clc1cccc([C@H]2CC[C@@H]([NH2+]CCCN3CC[NH2+]CC3)C2)c1 ZINC000423195628 296391157 /nfs/dbraw/zinc/39/11/57/296391157.db2.gz ZSUXSTOWVYCCEP-FUHWJXTLSA-N 2 0 321.896 2.861 20 0 DFADRP C[C@H]([NH2+]CCC[NH3+])c1ccc(OC[C@H]2CCCCO2)c(F)c1 ZINC000423197479 296391191 /nfs/dbraw/zinc/39/11/91/296391191.db2.gz ZOPFZHDOBGHQQP-DZGCQCFKSA-N 2 0 310.413 2.773 20 0 DFADRP C[NH2+]CCC[NH2+][C@@H](C)c1ccc(OC)c(Br)c1 ZINC000423209317 296392570 /nfs/dbraw/zinc/39/25/70/296392570.db2.gz ZWRUKIXPDRKFOB-JTQLQIEISA-N 2 0 301.228 2.718 20 0 DFADRP Cc1ccc(C)c([C@H]([NH2+]CCN2CC[NH2+]CC2)c2ccccc2)c1 ZINC000423209780 296392723 /nfs/dbraw/zinc/39/27/23/296392723.db2.gz VPJPAQHESKJXCR-OAQYLSRUSA-N 2 0 323.484 2.888 20 0 DFADRP Clc1ccc([C@@H]2CCC[C@H]([NH2+]CCN3CC[NH2+]CC3)C2)cc1 ZINC000423209501 296392733 /nfs/dbraw/zinc/39/27/33/296392733.db2.gz UXPHGNLIRDZWDG-AEFFLSMTSA-N 2 0 321.896 2.861 20 0 DFADRP Cc1cc2cc([C@H](C)[NH2+]CCN3CC[NH2+]CC3)oc2cc1C ZINC000423211439 296392768 /nfs/dbraw/zinc/39/27/68/296392768.db2.gz YEFINESWHILYGX-HNNXBMFYSA-N 2 0 301.434 2.605 20 0 DFADRP Fc1ccc([C@H](C[C@H]2CCOC2)[NH2+]C[C@@H]2CCC[NH2+]C2)cc1 ZINC000423210598 296392830 /nfs/dbraw/zinc/39/28/30/296392830.db2.gz KBRJHDWLDGAJRB-RKVPGOIHSA-N 2 0 306.425 2.883 20 0 DFADRP Brc1ccc2c(c1)CC[C@@H]([NH2+]C[C@@H]1CCC[NH2+]C1)C2 ZINC000423217123 296393382 /nfs/dbraw/zinc/39/33/82/296393382.db2.gz SXYADIUNRLGPPD-MLGOLLRUSA-N 2 0 323.278 2.896 20 0 DFADRP C[C@@H]([NH3+])CC[NH2+][C@H]1CCCOc2cc(Br)ccc21 ZINC000423222186 296393943 /nfs/dbraw/zinc/39/39/43/296393943.db2.gz ADFNTAQCWLBHAE-MFKMUULPSA-N 2 0 313.239 2.990 20 0 DFADRP C[C@@H]([NH2+]C1CCC([NH3+])CC1)c1ncc(Br)s1 ZINC000423220840 296394004 /nfs/dbraw/zinc/39/40/04/296394004.db2.gz VZINIZHDCIYGOR-AFPNSQJFSA-N 2 0 304.257 2.826 20 0 DFADRP COC(=O)CCC[C@@H]1CCC[C@H]([NH2+][C@@H](C)[C@H]2CCC[NH2+]C2)C1 ZINC000423221930 296394054 /nfs/dbraw/zinc/39/40/54/296394054.db2.gz YSMGAVQBFZHXDG-QAETUUGQSA-N 2 0 310.482 2.866 20 0 DFADRP c1c2c(cc3c1OCCC[C@H]3[NH2+]C[C@H]1CCC[NH2+]C1)CCC2 ZINC000423221487 296394076 /nfs/dbraw/zinc/39/40/76/296394076.db2.gz ZYZZIHDAIAJDJM-KBXCAEBGSA-N 2 0 300.446 2.978 20 0 DFADRP Brc1ccc2c(c1)CC[C@@H]([NH2+]C[C@H]1CCC[NH2+]1)C2 ZINC000423237216 296395671 /nfs/dbraw/zinc/39/56/71/296395671.db2.gz PQYKENWRDMIVDN-HUUCEWRRSA-N 2 0 309.251 2.648 20 0 DFADRP CCC(C)(C)[NH2+][C@@H](C)C(=O)NC[C@H]1CC[N@@H+]1Cc1ccccc1 ZINC000620770541 399588892 /nfs/dbraw/zinc/58/88/92/399588892.db2.gz AWTCKWNVNDBQQF-DOTOQJQBSA-N 2 0 317.477 2.544 20 0 DFADRP C[C@@H]([NH2+]CC[C@@H]1CC[NH2+]C1)c1ncc(Br)s1 ZINC000423241606 296395885 /nfs/dbraw/zinc/39/58/85/296395885.db2.gz DKTINBYLORPTHE-BDAKNGLRSA-N 2 0 304.257 2.556 20 0 DFADRP c1ccc(C[N@H+]2CC[C@H](NC[C@@H]3CCC[NH2+]3)[C@H]3CCC[C@H]32)cc1 ZINC000423238553 296395953 /nfs/dbraw/zinc/39/59/53/296395953.db2.gz QZSKMFFHIMJTAW-ZGXWSNOMSA-N 2 0 313.489 2.771 20 0 DFADRP CC(C)c1ccc([C@H]([NH3+])CN[C@@H]2C[N@@H+](C3CC3)C[C@H]2C)cc1 ZINC000423238768 296395977 /nfs/dbraw/zinc/39/59/77/296395977.db2.gz JHKCIGJVCFAMEY-NIKGAXFTSA-N 2 0 301.478 2.882 20 0 DFADRP C[C@H]([NH2+]CC[C@@H]1CC[NH2+]C1)c1ncc(Br)s1 ZINC000423241608 296396115 /nfs/dbraw/zinc/39/61/15/296396115.db2.gz DKTINBYLORPTHE-IUCAKERBSA-N 2 0 304.257 2.556 20 0 DFADRP C[C@@H]([NH2+]C1CCC([NH3+])CC1)c1ncc(Br)cc1F ZINC000423232463 296395372 /nfs/dbraw/zinc/39/53/72/296395372.db2.gz MRPOVNWNDZQTRY-MFAVDMRSSA-N 2 0 316.218 2.904 20 0 DFADRP CC[NH2+]CCN[C@@H]1CCCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000423235933 296395511 /nfs/dbraw/zinc/39/55/11/296395511.db2.gz NSCPEGJAEPHOGG-SLFFLAALSA-N 2 0 315.505 2.876 20 0 DFADRP Cn1ccnc1[C@@H]([NH2+]CC[C@H]1CC[NH2+]C1)c1ccc(Cl)cc1 ZINC000423247621 296396667 /nfs/dbraw/zinc/39/66/67/296396667.db2.gz LLXPDPXDWSDBPU-CJNGLKHVSA-N 2 0 318.852 2.752 20 0 DFADRP C[C@H]([NH2+]CC[C@@H]1CC[NH2+]C1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000423249010 296396948 /nfs/dbraw/zinc/39/69/48/296396948.db2.gz OCCFXJUJCZDOAY-KBPBESRZSA-N 2 0 316.449 2.621 20 0 DFADRP COc1cc(NC(C)=O)ccc1[C@H](C)[NH2+]CC[C@H]1CCC[NH2+]C1 ZINC000423256045 296397314 /nfs/dbraw/zinc/39/73/14/296397314.db2.gz DGHBHOIJXDMSOI-DZGCQCFKSA-N 2 0 319.449 2.694 20 0 DFADRP C[C@H]([NH2+]CC[C@@H]1CCC[NH2+]C1)c1cccc(N2CCOCC2)c1 ZINC000423256729 296397458 /nfs/dbraw/zinc/39/74/58/296397458.db2.gz FVSZEBPIPDWIHQ-IRXDYDNUSA-N 2 0 317.477 2.564 20 0 DFADRP COc1cccc(C[C@@H]([NH2+]CC[C@H]2CCC[NH2+]C2)C2CC2)c1 ZINC000423259764 296397639 /nfs/dbraw/zinc/39/76/39/296397639.db2.gz OUMMMIQUNGZQOK-DNVCBOLYSA-N 2 0 302.462 2.996 20 0 DFADRP C[C@@H]1CC[C@H](NC2CC[NH+](CCc3ccc(F)cc3)CC2)C[NH2+]1 ZINC000629395730 399592781 /nfs/dbraw/zinc/59/27/81/399592781.db2.gz QLPXMIJYFHFRSH-BEFAXECRSA-N 2 0 319.468 2.563 20 0 DFADRP CC(C)C[C@@H](CN)[NH2+][C@H](C)c1cccc(N2CCOCC2)c1 ZINC000423262641 296397948 /nfs/dbraw/zinc/39/79/48/296397948.db2.gz NAIZCOCYEGUMNA-WBVHZDCISA-N 2 0 305.466 2.547 20 0 DFADRP COc1ccc(C2CCC([NH2+]CC3([NH3+])CCOCC3)CC2)cc1 ZINC000629388962 399591408 /nfs/dbraw/zinc/59/14/08/399591408.db2.gz GIHYJIJQYSHBPQ-UHFFFAOYSA-N 2 0 318.461 2.819 20 0 DFADRP COc1ccc(C[C@H](C)[NH2+][C@@H]2CCC[C@H]2C[NH3+])c(C)c1OC ZINC000423271334 296399178 /nfs/dbraw/zinc/39/91/78/296399178.db2.gz IYJVGDOCFAJAMA-VBNZEHGJSA-N 2 0 306.450 2.660 20 0 DFADRP C[NH2+]C[C@H](C)C[NH2+][C@@H](C)c1ccc(OC)c(Br)c1 ZINC000423265652 296398680 /nfs/dbraw/zinc/39/86/80/296398680.db2.gz CNYRVUDPLIWUPV-QWRGUYRKSA-N 2 0 315.255 2.964 20 0 DFADRP CC(C)C[C@H](C[NH3+])N[C@@H](C)c1cccc(N2CCCC2=O)c1 ZINC000423267902 296398701 /nfs/dbraw/zinc/39/87/01/296398701.db2.gz UDGAPOUTWBZHCF-GOEBONIOSA-N 2 0 303.450 2.837 20 0 DFADRP COCC[C@H](Cc1cccc(F)c1)[NH2+][C@@H]1CCCC[C@H]1C[NH3+] ZINC000423283759 296400620 /nfs/dbraw/zinc/40/06/20/296400620.db2.gz WEPXVNXJMKUFKE-CGTJXYLNSA-N 2 0 308.441 2.880 20 0 DFADRP COC(=O)CCC[C@@H]1CCC[C@H]([NH2+]CC[C@@H]2CCC[NH2+]C2)C1 ZINC000423283985 296401183 /nfs/dbraw/zinc/40/11/83/296401183.db2.gz XVYCMEUSXAVDQL-ULQDDVLXSA-N 2 0 310.482 2.868 20 0 DFADRP C[C@H]([NH3+])c1ccc(C[NH2+][C@@H]2CCO[C@@H](C(F)(F)F)C2)cc1 ZINC000423290879 296401478 /nfs/dbraw/zinc/40/14/78/296401478.db2.gz FUHWQCQTYPHZHN-ZLKJLUDKSA-N 2 0 302.340 2.906 20 0 DFADRP CC(C)[C@H](C(=O)NCc1ccc(C[NH+]2CCCC2)cc1)[C@H](C)[NH3+] ZINC000423309937 296403076 /nfs/dbraw/zinc/40/30/76/296403076.db2.gz MRGBPAZCCXGPGC-YJBOKZPZSA-N 2 0 317.477 2.518 20 0 DFADRP COCCOc1ccc([C@H](C)[NH2+]C[C@@]2(C)CCC[NH2+]C2)cc1 ZINC000423322370 296404051 /nfs/dbraw/zinc/40/40/51/296404051.db2.gz GZNWYNQSDBLSGF-YJBOKZPZSA-N 2 0 306.450 2.752 20 0 DFADRP COCC[C@H](C)[NH2+]CCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000156087583 197086025 /nfs/dbraw/zinc/08/60/25/197086025.db2.gz OIRZOMYVKDNWOD-SFHVURJKSA-N 2 0 319.493 2.603 20 0 DFADRP Cc1c([C@@H](C)[NH2+]CC2=CC[NH2+]CC2)cnn1-c1ccc(F)cc1 ZINC000423330557 296405208 /nfs/dbraw/zinc/40/52/08/296405208.db2.gz CDJXGACWPZVUQF-CYBMUJFWSA-N 2 0 314.408 2.890 20 0 DFADRP Brc1cc2c(s1)CC[C@H]2[NH2+]C[C@@H]1CC[NH2+]C1 ZINC000423335460 296405492 /nfs/dbraw/zinc/40/54/92/296405492.db2.gz IWRCIWHRCWNROA-PSASIEDQSA-N 2 0 301.253 2.697 20 0 DFADRP Cc1cc(Br)cc2c1[C@@H]([NH2+]C[C@@H]1CC[NH2+]C1)CC2 ZINC000423324658 296404509 /nfs/dbraw/zinc/40/45/09/296404509.db2.gz BDRWXFAMINRMAN-RISCZKNCSA-N 2 0 309.251 2.944 20 0 DFADRP O[C@H]1C[C@@H](C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC000624218208 399601492 /nfs/dbraw/zinc/60/14/92/399601492.db2.gz VWXMAWHMZXCOFX-QQTVYSQJSA-N 2 0 300.446 2.543 20 0 DFADRP CC[NH+](CC)[C@H]1CCN(C(=O)C(C)(C)[C@H]([NH3+])c2ccccc2)C1 ZINC000423335785 296405720 /nfs/dbraw/zinc/40/57/20/296405720.db2.gz XKGDGUFQMLXVRX-DLBZAZTESA-N 2 0 317.477 2.655 20 0 DFADRP C[C@H]([NH2+]CC[C@H]1CCC[NH2+]1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000423356343 296407638 /nfs/dbraw/zinc/40/76/38/296407638.db2.gz GNZOHFISGIHYES-DZGCQCFKSA-N 2 0 316.449 2.763 20 0 DFADRP C[C@H]1CC[NH2+][C@H](C(=O)Nc2ccc(CC[NH+]3CCCC3)cc2)C1 ZINC000423354371 296407659 /nfs/dbraw/zinc/40/76/59/296407659.db2.gz NKHRMXDRKBOIJU-YJBOKZPZSA-N 2 0 315.461 2.652 20 0 DFADRP C[NH+]1CCC(CCNC(=O)C(C)(C)[C@H]([NH3+])c2ccccc2)CC1 ZINC000423353060 296407668 /nfs/dbraw/zinc/40/76/68/296407668.db2.gz CGIDLFMUWLJWKK-QGZVFWFLSA-N 2 0 317.477 2.561 20 0 DFADRP COCCc1nc(C)c([C@H](C)[NH2+]C[C@]2(C)CCC[NH2+]C2)s1 ZINC000423344960 296406666 /nfs/dbraw/zinc/40/66/66/296406666.db2.gz OPXPBCIVHNRJBK-BLLLJJGKSA-N 2 0 311.495 2.681 20 0 DFADRP Brc1ccc2c(c1)CC[C@H]([NH2+]C[C@@H]1CC[NH2+]C1)C2 ZINC000423347129 296407053 /nfs/dbraw/zinc/40/70/53/296407053.db2.gz QSQIQPCKGVFFBY-ABAIWWIYSA-N 2 0 309.251 2.506 20 0 DFADRP CC(C)[C@@H](C(=O)NCc1cccc(C[NH+]2CCCC2)c1)[C@@H](C)[NH3+] ZINC000423346022 296407147 /nfs/dbraw/zinc/40/71/47/296407147.db2.gz YGJSFQDVXOBVCW-CRAIPNDOSA-N 2 0 317.477 2.518 20 0 DFADRP C[C@@H]1[NH2+]CCC[C@H]1C(=O)Nc1ccc(CC[NH+]2CCCC2)cc1 ZINC000423360447 296408049 /nfs/dbraw/zinc/40/80/49/296408049.db2.gz WACRTDHVXYCALV-MAUKXSAKSA-N 2 0 315.461 2.652 20 0 DFADRP COc1ccc(CCC[NH2+][C@H]2C[C@H](C)[N@H+](C)C[C@H]2C)cc1OC ZINC000155201464 197032432 /nfs/dbraw/zinc/03/24/32/197032432.db2.gz SQUOATIARKSAQX-VYDXJSESSA-N 2 0 320.477 2.955 20 0 DFADRP CC[C@@H]([NH2+][C@@H](C)CN1CC[NH+](C)CC1)c1ccc(F)cc1F ZINC000155027903 197015045 /nfs/dbraw/zinc/01/50/45/197015045.db2.gz NKOSPPQZUYJABB-SUMWQHHRSA-N 2 0 311.420 2.641 20 0 DFADRP COCCOc1ccc([C@H](C)[NH2+][C@H]2CCC[C@H]([NH3+])C2)cc1OC ZINC000423366138 296408998 /nfs/dbraw/zinc/40/89/98/296408998.db2.gz BOGFTKDMGUJFFJ-BPUTZDHNSA-N 2 0 322.449 2.641 20 0 DFADRP CC(C)=CCC[C@H](C)[NH2+]C[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000423372888 296409757 /nfs/dbraw/zinc/40/97/57/296409757.db2.gz BMXNRERKVHLSAB-UONOGXRCSA-N 2 0 307.404 2.547 20 0 DFADRP CC(C)=CCC[C@@H](C)[NH2+]C[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000423372887 296409957 /nfs/dbraw/zinc/40/99/57/296409957.db2.gz BMXNRERKVHLSAB-KGLIPLIRSA-N 2 0 307.404 2.547 20 0 DFADRP COCC1(C[NH2+][C@@H]2CCCc3ccc(OC)cc32)CC[NH2+]CC1 ZINC000423376107 296410065 /nfs/dbraw/zinc/41/00/65/296410065.db2.gz AMMMVRXOJAVRLP-GOSISDBHSA-N 2 0 318.461 2.678 20 0 DFADRP Cc1ccc([C@H](C)[NH2+]C[C@H](N2CC[NH2+]CC2)C(F)(F)F)s1 ZINC000423381049 296410440 /nfs/dbraw/zinc/41/04/40/296410440.db2.gz HPVHSMDNZBOTIO-AAEUAGOBSA-N 2 0 321.412 2.543 20 0 DFADRP CCC[C@@H]([NH2+][C@@H](C)CN1CC[NH+](C)CC1)c1ccc(OC)cc1 ZINC000154919394 197004766 /nfs/dbraw/zinc/00/47/66/197004766.db2.gz NCHZXJVGHWSEJC-QFBILLFUSA-N 2 0 319.493 2.762 20 0 DFADRP CCC[C@H]([NH2+]C[C@@H](N1CC[NH2+]CC1)C(F)(F)F)C(C)(C)C ZINC000423387242 296411487 /nfs/dbraw/zinc/41/14/87/296411487.db2.gz JWTSQNHCWHBMJO-QWHCGFSZSA-N 2 0 309.420 2.627 20 0 DFADRP CC[NH2+][C@H](C)CNC1CC[NH+]([C@H](C)Cc2ccccc2)CC1 ZINC000423384853 296410882 /nfs/dbraw/zinc/41/08/82/296410882.db2.gz KIIWDWRKOCQJTR-IAGOWNOFSA-N 2 0 303.494 2.670 20 0 DFADRP C[C@@H]([NH2+]CCN1CC[C@@H](O)C1)c1ccc(OC(C)(C)C)cc1 ZINC000624229781 399605982 /nfs/dbraw/zinc/60/59/82/399605982.db2.gz CNXBYAITBMLZIL-GDBMZVCRSA-N 2 0 306.450 2.581 20 0 DFADRP COc1ccc([C@H](C)[C@H](C)[NH2+][C@H]2CC[NH2+]C[C@H]2C)cc1OC ZINC000423394641 296411943 /nfs/dbraw/zinc/41/19/43/296411943.db2.gz MVNABYGWUVANDW-NYTXWWLZSA-N 2 0 306.450 2.783 20 0 DFADRP CC(C)CC[C@H]([NH2+]C[C@@H]1C[NH2+]C[C@@H]1O)c1ccc(Cl)cc1 ZINC000423407197 296413430 /nfs/dbraw/zinc/41/34/30/296413430.db2.gz LWSCBKRRMPBSLH-XIRDDKMYSA-N 2 0 310.869 2.987 20 0 DFADRP O[C@@H]1CCN(CC[NH2+][C@@H]2CC[C@H](c3cccc(Cl)c3)C2)C1 ZINC000624231088 399607318 /nfs/dbraw/zinc/60/73/18/399607318.db2.gz PERHMYAJPCIWKL-USXIJHARSA-N 2 0 308.853 2.632 20 0 DFADRP COCC1(C[NH2+][C@@H]2CCCc3ccc(C)cc32)CC[NH2+]CC1 ZINC000423410743 296413898 /nfs/dbraw/zinc/41/38/98/296413898.db2.gz SQVCYBJFEJDGDH-GOSISDBHSA-N 2 0 302.462 2.978 20 0 DFADRP COCC1(C[NH2+][C@@H](C)c2csc(C(C)C)n2)CC[NH2+]CC1 ZINC000423413762 296414487 /nfs/dbraw/zinc/41/44/87/296414487.db2.gz ZXZKRIHCMXXHJK-ZDUSSCGKSA-N 2 0 311.495 2.933 20 0 DFADRP C[C@H]([NH2+]C[C@H]1CC[C@H](C[NH3+])CC1)c1ccc(C(=O)N(C)C)cc1 ZINC000423416171 296414825 /nfs/dbraw/zinc/41/48/25/296414825.db2.gz CBEDPAAJNXVGJI-JYJNAYRXSA-N 2 0 317.477 2.804 20 0 DFADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)[C@H](C)CC(C)C ZINC000361213549 285247534 /nfs/dbraw/zinc/24/75/34/285247534.db2.gz QWLCYTPHUOYVFZ-IAGOWNOFSA-N 2 0 311.514 2.543 20 0 DFADRP C[C@H]([NH2+]C[C@H]1CC[C@H](C[NH3+])CC1)c1ccc(-n2cncn2)cc1 ZINC000423419502 296415117 /nfs/dbraw/zinc/41/51/17/296415117.db2.gz IXWGKTGZOKGYTE-JYJNAYRXSA-N 2 0 313.449 2.683 20 0 DFADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1ccsc1C ZINC000294423706 285249935 /nfs/dbraw/zinc/24/99/35/285249935.db2.gz FJAADAKTNRBYFP-OAHLLOKOSA-N 2 0 323.506 2.545 20 0 DFADRP CC[C@H]([NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1)c1ccc2c(c1)OCCO2 ZINC000423430140 296416167 /nfs/dbraw/zinc/41/61/67/296416167.db2.gz HYGFRVOQMLSUFX-YESZJQIVSA-N 2 0 316.445 2.887 20 0 DFADRP c1ccc(C[C@@H]([NH2+][C@@H]2C[C@H]2C2CC[NH2+]CC2)c2cccnc2)nc1 ZINC000423436878 296416723 /nfs/dbraw/zinc/41/67/23/296416723.db2.gz LYSQSUVYRJZBDZ-XUVXKRRUSA-N 2 0 322.456 2.738 20 0 DFADRP C[C@H]([NH2+]C[C@H]1C[NH2+]C[C@@H]1O)c1ccc(-c2ccccc2)s1 ZINC000423437353 296416776 /nfs/dbraw/zinc/41/67/76/296416776.db2.gz UJYVRZYRLWKYFK-CFVMTHIKSA-N 2 0 302.443 2.646 20 0 DFADRP C[C@H]([NH2+]C[C@@H]1CCC[C@H]([NH3+])C1)c1ccc(C(=O)N(C)C)cc1 ZINC000423459981 296418247 /nfs/dbraw/zinc/41/82/47/296418247.db2.gz APKCUADIFDPBOT-VBQJREDUSA-N 2 0 303.450 2.557 20 0 DFADRP CC(C)[NH+]1CCC(C(=O)N(CC[NH+](C)C)c2ccccc2)CC1 ZINC000073127295 542463646 /nfs/dbraw/zinc/46/36/46/542463646.db2.gz CPZFLVZDUVXOCD-UHFFFAOYSA-N 2 0 317.477 2.702 20 0 DFADRP CC[C@@H](C)NC(=O)[C@H](C)[NH2+]Cc1ccccc1C[NH+](CC)CC ZINC000073737127 542464274 /nfs/dbraw/zinc/46/42/74/542464274.db2.gz IMTPUWZJZBWPCP-CVEARBPZSA-N 2 0 319.493 2.921 20 0 DFADRP COC[C@H]([NH2+][C@@H]1CC[C@H](C[NH3+])C1)c1cccc(Cl)c1F ZINC000423493137 296421982 /nfs/dbraw/zinc/42/19/82/296421982.db2.gz AVWPGKNAMNDFJX-WDMOLILDSA-N 2 0 300.805 2.884 20 0 DFADRP CCOC(=O)c1oc2c(c1C)[C@H]([NH2+][C@H]1CC[C@@H](C[NH3+])C1)CCC2 ZINC000423500086 296422882 /nfs/dbraw/zinc/42/28/82/296422882.db2.gz IGDXQOKIIQHWLG-HZSPNIEDSA-N 2 0 320.433 2.859 20 0 DFADRP CC[NH+]1CCN(c2ccc(C[NH2+]C[C@@H](C)CC(C)C)cn2)CC1 ZINC000347946588 285262703 /nfs/dbraw/zinc/26/27/03/285262703.db2.gz SAASTSMFBDYDOW-KRWDZBQOSA-N 2 0 318.509 2.995 20 0 DFADRP CC[C@H]([NH2+]CC1(O)CC[NH+](C)CC1)c1cc(C)ccc1OC ZINC000271553582 209007378 /nfs/dbraw/zinc/00/73/78/209007378.db2.gz MUYYRPUTGCWYRP-INIZCTEOSA-N 2 0 306.450 2.501 20 0 DFADRP CCC1CC([NH2+]CC2(N)CC[NH+](Cc3ccccc3)CC2)C1 ZINC000423523292 296426015 /nfs/dbraw/zinc/42/60/15/296426015.db2.gz IEIQDHBVZCXSRT-UHFFFAOYSA-N 2 0 301.478 2.758 20 0 DFADRP CCCC[C@H](COC)[NH2+]Cc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC000120644351 195206750 /nfs/dbraw/zinc/20/67/50/195206750.db2.gz MTGFCVJDNCJHMM-MOPGFXCFSA-N 2 0 320.477 2.548 20 0 DFADRP c1ccc2c(c1)CCSC[C@@H]2[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000423539517 296427927 /nfs/dbraw/zinc/42/79/27/296427927.db2.gz IMHAHINOTJTVJL-LHHMISFZSA-N 2 0 302.487 2.995 20 0 DFADRP Cc1nn(C)c2sc([C@H](C)[NH2+][C@@H]3CC[C@H]4C[NH2+]C[C@@H]4C3)cc12 ZINC000423541013 296428197 /nfs/dbraw/zinc/42/81/97/296428197.db2.gz KKTFDPZYUNNKPI-XDQVBPFNSA-N 2 0 318.490 2.982 20 0 DFADRP NC1(C[NH2+][C@@H]2CCC23CCC3)CC[NH+](Cc2ccccc2)CC1 ZINC000423547575 296428843 /nfs/dbraw/zinc/42/88/43/296428843.db2.gz DNMLUMADIYSKQR-GOSISDBHSA-N 2 0 313.489 2.902 20 0 DFADRP CC[C@H]([NH2+]C[C@H](C)CN1CC[NH+](C)CC1)c1cccc(OC)c1 ZINC000120840813 195248138 /nfs/dbraw/zinc/24/81/38/195248138.db2.gz KVHCJXPAWMUYQY-LPHOPBHVSA-N 2 0 319.493 2.619 20 0 DFADRP Cc1ccc([C@H](C)[NH2+]C[C@H](C)CN2CC[NH+](C)CC2)cc1C ZINC000120895946 195259503 /nfs/dbraw/zinc/25/95/03/195259503.db2.gz SNORXYHJKKOFPS-YJBOKZPZSA-N 2 0 303.494 2.838 20 0 DFADRP C[C@@H](C[NH2+][C@H]1CCSc2ccccc21)CN1CC[NH+](C)CC1 ZINC000120859250 195252287 /nfs/dbraw/zinc/25/22/87/195252287.db2.gz MOHCJAAWXQKTOB-RDJZCZTQSA-N 2 0 319.518 2.697 20 0 DFADRP C[C@@H]([NH2+][C@H](C)c1ccc(OCC[NH+](C)C)cc1)c1cn[nH]c1 ZINC000271563414 209016570 /nfs/dbraw/zinc/01/65/70/209016570.db2.gz URRACCQKELRODR-ZIAGYGMSSA-N 2 0 302.422 2.762 20 0 DFADRP C[C@@H]([NH2+][C@@H](C)c1ccc(OCC[NH+](C)C)cc1)c1cn[nH]c1 ZINC000271563412 209015419 /nfs/dbraw/zinc/01/54/19/209015419.db2.gz URRACCQKELRODR-UONOGXRCSA-N 2 0 302.422 2.762 20 0 DFADRP C[C@@H]([NH2+][C@@H](C)c1cn[nH]c1)c1cccc(OCC[NH+](C)C)c1 ZINC000271601931 209050149 /nfs/dbraw/zinc/05/01/49/209050149.db2.gz ZQAQKQRIEHQHKQ-KGLIPLIRSA-N 2 0 302.422 2.762 20 0 DFADRP CCOc1cccc(C[N@H+](C)CCN(C)C2CC[NH+](C)CC2)c1 ZINC000289507356 221026266 /nfs/dbraw/zinc/02/62/66/221026266.db2.gz UIUNPCIJSSBFHJ-UHFFFAOYSA-N 2 0 319.493 2.543 20 0 DFADRP CC(C)[NH+]1CCC([NH2+]C[C@@]2(CO)C[C@H]2c2ccccc2)CC1 ZINC000289602881 221096293 /nfs/dbraw/zinc/09/62/93/221096293.db2.gz CTBUUBXUKAIIAD-RBUKOAKNSA-N 2 0 302.462 2.615 20 0 DFADRP CC(C)[NH+]1CCC([NH2+]C[C@]2(CO)C[C@@H]2c2ccccc2)CC1 ZINC000289602875 221097020 /nfs/dbraw/zinc/09/70/20/221097020.db2.gz CTBUUBXUKAIIAD-MOPGFXCFSA-N 2 0 302.462 2.615 20 0 DFADRP C[C@@H]([NH3+])c1ccc(C(=O)N(CCC[NH3+])CC2CCCC2)cc1 ZINC000423644858 296436101 /nfs/dbraw/zinc/43/61/01/296436101.db2.gz NTMAUFPYPREONW-CQSZACIVSA-N 2 0 303.450 2.688 20 0 DFADRP C[C@H](CCCC[NH3+])[NH2+]CCc1cccc2c1OC(F)(F)O2 ZINC000629512609 399629429 /nfs/dbraw/zinc/62/94/29/399629429.db2.gz DDKZFCXHGVOWPC-LLVKDONJSA-N 2 0 300.349 2.658 20 0 DFADRP Cc1cc(C[NH2+]CCC[N@@H+]2CCCO[C@@H](C)C2)cc(C)c1O ZINC000289686601 221154652 /nfs/dbraw/zinc/15/46/52/221154652.db2.gz MXRWOKXZCNWPSA-INIZCTEOSA-N 2 0 306.450 2.600 20 0 DFADRP CO[C@H]1C[C@@H](C[NH2+][C@H](C)c2cccc(OCC[NH+](C)C)c2)C1 ZINC000624309006 399633874 /nfs/dbraw/zinc/63/38/74/399633874.db2.gz BIIUAEAWMBIQSA-RKVPGOIHSA-N 2 0 306.450 2.703 20 0 DFADRP CO[C@H]1C[C@@H](C[NH2+][C@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000624311222 399634983 /nfs/dbraw/zinc/63/49/83/399634983.db2.gz VFMDSISFELJMOV-YSHGAJCASA-N 2 0 302.462 2.912 20 0 DFADRP CC[C@@H]([NH2+]CC1([NH3+])CCOCC1)c1ccc(OC(F)F)cc1 ZINC000629524375 399635385 /nfs/dbraw/zinc/63/53/85/399635385.db2.gz PYNNYBQENFSBGU-CQSZACIVSA-N 2 0 314.376 2.837 20 0 DFADRP C[NH2+]CCOCC[NH2+][C@@H]1CCCOc2ccc(C(C)C)cc21 ZINC000629529936 399638011 /nfs/dbraw/zinc/63/80/11/399638011.db2.gz QWOXLUQBBIZJNP-QGZVFWFLSA-N 2 0 306.450 2.849 20 0 DFADRP C[NH2+]CCOCC[NH2+][C@H](C)c1ccc(Oc2ccccc2)cn1 ZINC000629530793 399638064 /nfs/dbraw/zinc/63/80/64/399638064.db2.gz RLOXSPWNMLPKPR-OAHLLOKOSA-N 2 0 315.417 2.761 20 0 DFADRP CC(C)CCO[C@H]1CC[C@H]([NH2+][C@@H]2CCOC[C@H]2[C@@H](C)[NH3+])CC1 ZINC000629531410 399638082 /nfs/dbraw/zinc/63/80/82/399638082.db2.gz KDLIZZQNICXVIC-HSFUPAIVSA-N 2 0 312.498 2.702 20 0 DFADRP C[C@H]([NH2+]CCOCCC[NH3+])c1ccc(F)c(Br)c1 ZINC000629534933 399639042 /nfs/dbraw/zinc/63/90/42/399639042.db2.gz CBNPSERJXBZORA-JTQLQIEISA-N 2 0 319.218 2.604 20 0 DFADRP [NH3+]CCCOCC[NH2+][C@@H]1CCc2ccc(OC(F)(F)F)cc21 ZINC000629541906 399641131 /nfs/dbraw/zinc/64/11/31/399641131.db2.gz SZXLEWORBVVCTQ-CQSZACIVSA-N 2 0 318.339 2.528 20 0 DFADRP C[C@H]([NH3+])c1ccc(C(=O)N2CC[NH+](C3CCCCC3)CC2)cc1 ZINC000423705955 296440610 /nfs/dbraw/zinc/44/06/10/296440610.db2.gz AGPAAQQVTOZXJJ-HNNXBMFYSA-N 2 0 315.461 2.797 20 0 DFADRP CC(C)[C@@H]1C[C@@H](C[NH2+]C[C@H](O)C[NH+]2CCCC2)c2ccccc21 ZINC000629578349 399653594 /nfs/dbraw/zinc/65/35/94/399653594.db2.gz AWPGKMQSVNKCRP-ZWOKBUDYSA-N 2 0 316.489 2.960 20 0 DFADRP C[C@]12C[NH2+]C[C@@]1(C)C[N@H+](CCCOCCc1ccccc1)C2 ZINC000629595996 399659006 /nfs/dbraw/zinc/65/90/06/399659006.db2.gz PAPRFRUVQYUFFV-KDURUIRLSA-N 2 0 302.462 2.567 20 0 DFADRP CC(C)(C)[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCCC[NH+]2C2CCCC2)C1 ZINC000617344514 399669926 /nfs/dbraw/zinc/66/99/26/399669926.db2.gz KOFWDKPSGHSBSK-NVXWUHKLSA-N 2 0 321.509 2.773 20 0 DFADRP Fc1cc(Cl)ccc1N1CC[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000629545408 399642632 /nfs/dbraw/zinc/64/26/32/399642632.db2.gz MCHZQCIRYDDORC-MBOZISHXSA-N 2 0 323.843 2.930 20 0 DFADRP O[C@H]1CCN(CC[NH2+][C@H](Cc2ccccc2)c2ccccc2)C1 ZINC000624335591 399643233 /nfs/dbraw/zinc/64/32/33/399643233.db2.gz WBDMIUROJYAIQT-VQTJNVASSA-N 2 0 310.441 2.627 20 0 DFADRP C[NH2+]CCC[NH+]1CCC(Cc2nc(C3CCCCC3)no2)CC1 ZINC000629551357 399645084 /nfs/dbraw/zinc/64/50/84/399645084.db2.gz UEANJNGMCNHCDU-UHFFFAOYSA-N 2 0 320.481 2.981 20 0 DFADRP C[C@H]([NH3+])[C@@H]1COCC[C@H]1[NH2+]Cc1csc(C(F)(F)F)c1 ZINC000629551301 399645141 /nfs/dbraw/zinc/64/51/41/399645141.db2.gz TUCWTMCEKYSKEG-INTQDDNPSA-N 2 0 308.369 2.609 20 0 DFADRP FC(F)(F)C1(C[NH2+][C@@H]2CCOC[C@@H]2[C@H]2CCC[NH2+]2)CCCC1 ZINC000629550587 399645163 /nfs/dbraw/zinc/64/51/63/399645163.db2.gz NXUHKZQFRDHDGL-MGPQQGTHSA-N 2 0 320.399 2.856 20 0 DFADRP c1c(C[NH2+]C2CCC3(CCCCC3)CC2)nnn1[C@@H]1CC[NH2+]C1 ZINC000629549608 399645469 /nfs/dbraw/zinc/64/54/69/399645469.db2.gz KEGVJNWMCZKLAD-QGZVFWFLSA-N 2 0 317.481 2.795 20 0 DFADRP CC(C)(C)[C@@H]1CCCC[C@@H]1[NH2+]Cc1cn([C@@H]2CC[NH2+]C2)nn1 ZINC000629553787 399647037 /nfs/dbraw/zinc/64/70/37/399647037.db2.gz XSLBHVPFHCNLPA-OAGGEKHMSA-N 2 0 305.470 2.507 20 0 DFADRP CC(C)(C)[C@@H]1CCCC[C@@H]1[NH2+]Cc1cn([C@H]2CC[NH2+]C2)nn1 ZINC000629553788 399647155 /nfs/dbraw/zinc/64/71/55/399647155.db2.gz XSLBHVPFHCNLPA-XHSDSOJGSA-N 2 0 305.470 2.507 20 0 DFADRP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1[NH2+]CCc1c[nH]c2c1cccc2Cl ZINC000629556501 399647883 /nfs/dbraw/zinc/64/78/83/399647883.db2.gz RAZUDFLRQPVIIO-PJODQICGSA-N 2 0 321.852 2.706 20 0 DFADRP COCc1cccc(CN2CC[C@H](C(F)(F)F)[C@H](C[NH3+])C2)c1 ZINC000629564647 399650833 /nfs/dbraw/zinc/65/08/33/399650833.db2.gz TYBOZFMXYCCCRO-CABCVRRESA-N 2 0 316.367 2.792 20 0 DFADRP Cc1c(C[C@@H](C[NH3+])CO)cccc1-c1cccc(C[NH+](C)C)c1 ZINC000629706554 399696185 /nfs/dbraw/zinc/69/61/85/399696185.db2.gz LSQKFSVQOALJCV-KRWDZBQOSA-N 2 0 312.457 2.833 20 0 DFADRP C[NH2+]CCOCC[N@H+](C)Cc1cc(C)c(C)cc1OC(F)F ZINC000629654345 399676406 /nfs/dbraw/zinc/67/64/06/399676406.db2.gz PPMMJLHLXCKYIZ-UHFFFAOYSA-N 2 0 316.392 2.573 20 0 DFADRP COCc1ccc(C[N@@H+]2C[C@@H](C[NH3+])[C@H](c3ccccc3)C2)o1 ZINC000629654438 399676589 /nfs/dbraw/zinc/67/65/89/399676589.db2.gz OPHRVMYWABDTIR-QAPCUYQASA-N 2 0 300.402 2.600 20 0 DFADRP C[NH+](C)Cc1ccc(-c2cccc(C[C@@H](C[NH3+])CO)c2)cc1F ZINC000629709129 399697376 /nfs/dbraw/zinc/69/73/76/399697376.db2.gz PWMVUIIVPGWYSP-HNNXBMFYSA-N 2 0 316.420 2.664 20 0 DFADRP c1cnn(CC[N@H+](Cc2ccsc2)[C@@H]2CC23CC[NH2+]CC3)c1 ZINC000262024266 257256629 /nfs/dbraw/zinc/25/66/29/257256629.db2.gz ZIESKBSNTUVSPH-MRXNPFEDSA-N 2 0 316.474 2.589 20 0 DFADRP CC[NH+](CC)Cc1ccc(C(=O)N2CC[NH2+][C@@H](C(C)C)C2)cc1 ZINC000621150772 399699102 /nfs/dbraw/zinc/69/91/02/399699102.db2.gz MVKHCNPIOSSTMO-GOSISDBHSA-N 2 0 317.477 2.598 20 0 DFADRP C[NH+](C)CCc1ccc(-c2nc3c(s2)C[C@@H]([NH3+])CC3)cc1 ZINC000629731743 399706586 /nfs/dbraw/zinc/70/65/86/399706586.db2.gz OAWAAWVRUOIJAN-AWEZNQCLSA-N 2 0 301.459 2.730 20 0 DFADRP CN1CC[NH+](Cc2ccccc2-c2ccc(CC[NH3+])cc2)CC1 ZINC000629735319 399707580 /nfs/dbraw/zinc/70/75/80/399707580.db2.gz QXKUOUGHQKCTIU-UHFFFAOYSA-N 2 0 309.457 2.602 20 0 DFADRP C[C@H]([NH3+])c1ccc(-c2ccc(C[C@H](C[NH3+])CO)cc2)cc1F ZINC000629737007 399708602 /nfs/dbraw/zinc/70/86/02/399708602.db2.gz CGACIYQIDYBTQH-GXTWGEPZSA-N 2 0 302.393 2.622 20 0 DFADRP C[C@H]([NH2+][C@H]1C[C@H](C)N(c2ccccc2)C1=O)C1CC[NH+](C)CC1 ZINC000090115644 542534403 /nfs/dbraw/zinc/53/44/03/542534403.db2.gz NXNNTTXMVRLIMR-MPGHIAIKSA-N 2 0 315.461 2.500 20 0 DFADRP COc1cccc(OCCC[NH2+][C@@H](C)C2CC[NH+](C)CC2)c1 ZINC000090060623 542534772 /nfs/dbraw/zinc/53/47/72/542534772.db2.gz SKFUJECWZQDSJQ-HNNXBMFYSA-N 2 0 306.450 2.784 20 0 DFADRP Cc1ncc([C@H](C)[NH2+]CCCC[NH+]2C[C@@H](C)O[C@H](C)C2)s1 ZINC000090405916 542535961 /nfs/dbraw/zinc/53/59/61/542535961.db2.gz CYYUKFPANFZEOF-MCIONIFRSA-N 2 0 311.495 2.992 20 0 DFADRP C[C@@H]([NH2+][C@@H](C)c1ccc(-n2ccnn2)cc1)C1CC[NH+](C)CC1 ZINC000090879876 542538834 /nfs/dbraw/zinc/53/88/34/542538834.db2.gz TUQBYUPKDPIMEX-LSDHHAIUSA-N 2 0 313.449 2.648 20 0 DFADRP CC(C)[N@@H+](Cc1ccc(OCC[NH+]2CCCC2)cc1)C[C@H](C)O ZINC000093145675 542552149 /nfs/dbraw/zinc/55/21/49/542552149.db2.gz MVAQAVVRKMTKPW-KRWDZBQOSA-N 2 0 320.477 2.752 20 0 DFADRP C[C@H](C(=O)NC1CCC(C[NH+](C)C)CC1)[C@H]([NH3+])c1ccccc1 ZINC000423745446 296443092 /nfs/dbraw/zinc/44/30/92/296443092.db2.gz MRVIIFVNJVZQFQ-OBHHBEAMSA-N 2 0 317.477 2.559 20 0 DFADRP CCC[NH+]1CCC([NH2+][C@@H]2CCN(c3ccccc3OC)C2)CC1 ZINC000119618181 542574071 /nfs/dbraw/zinc/57/40/71/542574071.db2.gz QYFFWJNLJRMYNQ-QGZVFWFLSA-N 2 0 317.477 2.738 20 0 DFADRP C[NH+]1CCN(c2cc(C[NH2+][C@H]3CC[C@H]3C(C)(C)C)ccn2)CC1 ZINC000348098809 285347722 /nfs/dbraw/zinc/34/77/22/285347722.db2.gz BTNKOELGEGROBC-SJORKVTESA-N 2 0 316.493 2.748 20 0 DFADRP O[C@H](C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1)C1CCCCC1 ZINC000190916632 285353460 /nfs/dbraw/zinc/35/34/60/285353460.db2.gz UQRPKKHJUQYTDG-BHIYHBOVSA-N 2 0 306.494 2.876 20 0 DFADRP C[C@H](C(=O)N(C)[C@@H](C)C1CC[NH+](C)CC1)[C@H]([NH3+])c1ccccc1 ZINC000423761370 296444688 /nfs/dbraw/zinc/44/46/88/296444688.db2.gz OLUPTXUQRQLIKL-MPGHIAIKSA-N 2 0 317.477 2.511 20 0 DFADRP CC(C)[N@@H+]1CCC[C@H](C[NH2+][C@H]2CCO[C@H](C(F)(F)F)C2)C1 ZINC000348115504 285359055 /nfs/dbraw/zinc/35/90/55/285359055.db2.gz HVPPBCLFNLSXPJ-RDBSUJKOSA-N 2 0 308.388 2.806 20 0 DFADRP CC(C)[N@@H+]1CCC[C@H](C[NH2+][C@H]2CCO[C@@H](C(F)(F)F)C2)C1 ZINC000348115501 285359088 /nfs/dbraw/zinc/35/90/88/285359088.db2.gz HVPPBCLFNLSXPJ-HZSPNIEDSA-N 2 0 308.388 2.806 20 0 DFADRP CC(C)C[C@@H](CN(C)C)[NH2+][C@H](C)c1cccc(-n2ccnn2)c1 ZINC000348117011 285359993 /nfs/dbraw/zinc/35/99/93/285359993.db2.gz WOYRTVPGXZFGKV-WBVHZDCISA-N 2 0 315.465 2.894 20 0 DFADRP O=C(CC1CC[NH2+]CC1)Nc1cccc(CC[NH+]2CCCC2)c1 ZINC000423770391 296445749 /nfs/dbraw/zinc/44/57/49/296445749.db2.gz HIUHVSXJTYOVNM-UHFFFAOYSA-N 2 0 315.461 2.653 20 0 DFADRP CCOc1ccccc1[C@H](C)[NH2+]C[C@@H](C)CN1CC[NH+](C)CC1 ZINC000121035569 195284045 /nfs/dbraw/zinc/28/40/45/195284045.db2.gz SCWRKFANFJMUKY-SJORKVTESA-N 2 0 319.493 2.619 20 0 DFADRP CCN(CCC[NH+](CC)CC)C(=O)C[C@H](C)C1CC[NH2+]CC1 ZINC000423786238 296447755 /nfs/dbraw/zinc/44/77/55/296447755.db2.gz SSRXLLIMBBNOBJ-INIZCTEOSA-N 2 0 311.514 2.593 20 0 DFADRP CC[C@H](COC)[NH2+]Cc1ccc(C[NH+]2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000124648832 195664756 /nfs/dbraw/zinc/66/47/56/195664756.db2.gz LLCQEDOUWBBZPP-GPMSIDNRSA-N 2 0 320.477 2.810 20 0 DFADRP CC[C@@H](C)NC(=O)[C@@H](C)[N@H+](CC)Cc1ccc(C[NH+](C)C)cc1 ZINC000626062351 399741162 /nfs/dbraw/zinc/74/11/62/399741162.db2.gz PIOVLBMTMQSCMD-HZPDHXFCSA-N 2 0 319.493 2.873 20 0 DFADRP C[NH2+]CCC(=O)Nc1cccc(CC[NH+]2CCC(C)CC2)c1 ZINC000423834250 296454385 /nfs/dbraw/zinc/45/43/85/296454385.db2.gz CGNAZRKEPATAQJ-UHFFFAOYSA-N 2 0 303.450 2.509 20 0 DFADRP C[C@@H]([NH2+]C1CCN(c2cc[nH+]cc2)CC1)[C@@H](O)c1ccccc1 ZINC000297369855 533339020 /nfs/dbraw/zinc/33/90/20/533339020.db2.gz HNUYKUPLDHCYGL-DNVCBOLYSA-N 2 0 311.429 2.762 20 0 DFADRP CO[C@@H](Cc1ccccc1)C[NH+]1CCC(CC[NH+](C)C)CC1 ZINC000295558933 533375199 /nfs/dbraw/zinc/37/51/99/533375199.db2.gz QCGWHOLYEVQWED-IBGZPJMESA-N 2 0 304.478 2.908 20 0 DFADRP C[C@@H](CC(=O)N(C)c1ccccc1)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000294948150 533409755 /nfs/dbraw/zinc/40/97/55/533409755.db2.gz HKZXDUISNHEZTP-UNPWZGGWSA-N 2 0 315.461 2.643 20 0 DFADRP Cc1cc(C[NH+]2CCC(OCCC[NH3+])CC2)c2ccccc2n1 ZINC000322283747 533597097 /nfs/dbraw/zinc/59/70/97/533597097.db2.gz RWKRPTPFYCYFDK-UHFFFAOYSA-N 2 0 313.445 2.873 20 0 DFADRP C[C@@H](CCCO)C[NH2+][C@@H](C)c1cccc(OCC[NH+](C)C)c1 ZINC000296589197 533561021 /nfs/dbraw/zinc/56/10/21/533561021.db2.gz UWGOHVGTNDQFDR-HOTGVXAUSA-N 2 0 308.466 2.686 20 0 DFADRP C[C@@H]1C[C@@H](NC[C@@]2(C)CC[NH+](Cc3ccccc3)C2)CC[N@@H+]1C ZINC000309746993 533649629 /nfs/dbraw/zinc/64/96/29/533649629.db2.gz UTIRFYZKEUABCP-YZGWKJHDSA-N 2 0 315.505 2.971 20 0 DFADRP OC[C@H]1CCC[N@@H+]1CCCC[NH2+][C@@H]1CCc2c1cc(F)cc2F ZINC000121332937 542584344 /nfs/dbraw/zinc/58/43/44/542584344.db2.gz QUNGAJMVHFCZIU-RDTXWAMCSA-N 2 0 324.415 2.779 20 0 DFADRP CCC[NH+]1CCC([NH2+][C@H]2CCN(C(=O)C3CCCCC3)C2)CC1 ZINC000123743632 542594093 /nfs/dbraw/zinc/59/40/93/542594093.db2.gz VWVIBTKJDSDRFA-SFHVURJKSA-N 2 0 321.509 2.632 20 0 DFADRP C[C@H](NCC[NH+]1CCCCC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272442925 130031116 /nfs/dbraw/zinc/03/11/16/130031116.db2.gz ITYHTARTBMEXLV-AZUAARDMSA-N 2 0 315.505 2.973 20 0 DFADRP C[C@H]([NH2+][C@@H](C)C1CC[NH+](C)CC1)c1ccc2c(c1)OCCO2 ZINC000122017433 542588877 /nfs/dbraw/zinc/58/88/77/542588877.db2.gz CDKAEUWRSXBVLE-KBPBESRZSA-N 2 0 304.434 2.839 20 0 DFADRP CCC[NH+]1CCC(N[C@@H](Cc2ccccc2)C[NH+](C)C)CC1 ZINC000128820313 542620643 /nfs/dbraw/zinc/62/06/43/542620643.db2.gz JEPIWDODQAKPLL-IBGZPJMESA-N 2 0 303.494 2.623 20 0 DFADRP C[C@@H](C(=O)N[C@H](CCC[NH3+])c1ccccc1)[NH+]1CCCCCC1 ZINC000423967439 296469596 /nfs/dbraw/zinc/46/95/96/296469596.db2.gz JJMWFKARQZPILE-FUHWJXTLSA-N 2 0 317.477 2.847 20 0 DFADRP C[C@H]([NH2+]Cc1ccc(OCC2CC2)nc1)C1CC[NH+](C)CC1 ZINC000131431715 542637414 /nfs/dbraw/zinc/63/74/14/542637414.db2.gz RACBKHDYYLGPIN-AWEZNQCLSA-N 2 0 303.450 2.690 20 0 DFADRP CC[C@](C)(CCO)[NH2+]Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000134470948 542649795 /nfs/dbraw/zinc/64/97/95/542649795.db2.gz YYEJOXOZTICCIC-LJQANCHMSA-N 2 0 320.477 2.802 20 0 DFADRP C[C@@]1(C[NH2+]Cc2ccc(OCC[NH+]3CCCC3)cc2)CCCO1 ZINC000152942381 542679609 /nfs/dbraw/zinc/67/96/09/542679609.db2.gz ZPZGOFMXYPEYOO-IBGZPJMESA-N 2 0 318.461 2.820 20 0 DFADRP C[C@]1(C[NH2+]Cc2ccc(OCC[NH+]3CCCC3)cc2)CCOC1 ZINC000603516019 399785997 /nfs/dbraw/zinc/78/59/97/399785997.db2.gz VPYNIMFJQHQVQW-LJQANCHMSA-N 2 0 318.461 2.677 20 0 DFADRP C[C@@H]([NH2+]CCCc1nc2ccccc2[nH]1)C1CC[NH+](C)CC1 ZINC000156230020 542700111 /nfs/dbraw/zinc/70/01/11/542700111.db2.gz FINPRJFWTMXCQV-CQSZACIVSA-N 2 0 300.450 2.815 20 0 DFADRP C[C@@H]([NH2+]Cc1cc(Cl)c2c(c1)OCCO2)C1CC[NH+](C)CC1 ZINC000155991595 542699230 /nfs/dbraw/zinc/69/92/30/542699230.db2.gz QDWMZPZHCUNFJP-GFCCVEGCSA-N 2 0 324.852 2.931 20 0 DFADRP COc1ccc(C[NH2+]C[C@H]2CC[N@H+](Cc3ccccc3)C2)cn1 ZINC000309664803 533672148 /nfs/dbraw/zinc/67/21/48/533672148.db2.gz OOQJYIWJTIHUFM-GOSISDBHSA-N 2 0 311.429 2.702 20 0 DFADRP C[C@@H]([NH2+][C@H](C)C1CC[NH+](C)CC1)c1ccc(-n2cncn2)cc1 ZINC000158898959 542714693 /nfs/dbraw/zinc/71/46/93/542714693.db2.gz JPWBIKXXYNIQDD-HUUCEWRRSA-N 2 0 313.449 2.648 20 0 DFADRP COc1ccc2c(c1)C[C@@H]([NH2+]C[C@H]1CC[N@@H+](C3CC3)C1)CC2 ZINC000162594139 542737775 /nfs/dbraw/zinc/73/77/75/542737775.db2.gz GKRKXYHUKKAFKC-PBHICJAKSA-N 2 0 300.446 2.626 20 0 DFADRP c1cnn(Cc2ccccc2C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000166048141 542750436 /nfs/dbraw/zinc/75/04/36/542750436.db2.gz CFCKARABVQUEQN-RTBURBONSA-N 2 0 310.445 2.648 20 0 DFADRP c1cnn(Cc2cccc(C[NH2+][C@@H]3CC[N@@H+]4CCC[C@@H]4C3)c2)c1 ZINC000166253717 542750569 /nfs/dbraw/zinc/75/05/69/542750569.db2.gz PZPCYWNEAFUKHL-RTBURBONSA-N 2 0 310.445 2.648 20 0 DFADRP COc1ccccc1O[C@H](C)C[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000166728963 542751390 /nfs/dbraw/zinc/75/13/90/542751390.db2.gz MJQFPZXYPMGQCS-BZUAXINKSA-N 2 0 304.434 2.679 20 0 DFADRP COc1ccc(C[NH2+][C@H](C)C2CC[NH+](C)CC2)c(OC)c1OC ZINC000164613708 542745896 /nfs/dbraw/zinc/74/58/96/542745896.db2.gz AIHIMESORLEKHA-CYBMUJFWSA-N 2 0 322.449 2.532 20 0 DFADRP CCC(CC)(CNC(=O)[C@H](C)C[NH2+]C)[NH2+][C@@H](C)c1ccccc1 ZINC000168759820 542754115 /nfs/dbraw/zinc/75/41/15/542754115.db2.gz SWTOTNGZKYZYEA-CVEARBPZSA-N 2 0 319.493 2.868 20 0 DFADRP CC(C)[NH+]1CCC(NC(=O)C[N@@H+]2CCC[C@@H]3CCCC[C@@H]32)CC1 ZINC000172243016 542758525 /nfs/dbraw/zinc/75/85/25/542758525.db2.gz FFJKDNPLMICDQL-WMZOPIPTSA-N 2 0 321.509 2.630 20 0 DFADRP C[C@@H](CN1CC[NH+](C)CC1)[NH2+][C@@H]1CCSc2c(F)cccc21 ZINC000177968457 542773990 /nfs/dbraw/zinc/77/39/90/542773990.db2.gz HWGTYAUASRFTIM-XJKSGUPXSA-N 2 0 323.481 2.588 20 0 DFADRP C[NH+](C)C[C@H]1CCCN1C(=O)CC[C@@H]([NH3+])CC1CCCCC1 ZINC000424197654 296492429 /nfs/dbraw/zinc/49/24/29/296492429.db2.gz WPNBTQVYCAYDHQ-IAGOWNOFSA-N 2 0 309.498 2.617 20 0 DFADRP COc1cccc(C[NH2+]CCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1F ZINC000192674772 542853261 /nfs/dbraw/zinc/85/32/61/542853261.db2.gz HYTRHRRCPQDOCQ-GASCZTMLSA-N 2 0 324.440 2.813 20 0 DFADRP CC(C)C[C@@H]([NH3+])C(=O)NC[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000236720110 542897013 /nfs/dbraw/zinc/89/70/13/542897013.db2.gz FLEVQMCMKULAAS-ZWKOTPCHSA-N 2 0 317.477 2.531 20 0 DFADRP C[C@@H]1CCC[N@H+](Cc2ccccc2CNC(=O)CC(C)(C)[NH3+])C1 ZINC000237553698 542904011 /nfs/dbraw/zinc/90/40/11/542904011.db2.gz NBTRFTOWKKLKRG-OAHLLOKOSA-N 2 0 317.477 2.662 20 0 DFADRP CC(C)(C)c1cccc(OCCC[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)c1 ZINC000603932800 399818764 /nfs/dbraw/zinc/81/87/64/399818764.db2.gz PGEUSNMFFVLXCY-HOTGVXAUSA-N 2 0 302.462 2.904 20 0 DFADRP COc1cccc(C[C@@H]([NH2+]C[C@H]2CCC[N@H+](C)C2)C2CC2)c1 ZINC000245560294 542916065 /nfs/dbraw/zinc/91/60/65/542916065.db2.gz UNIQIDBHUMLDEA-VQIMIIECSA-N 2 0 302.462 2.948 20 0 DFADRP C[NH+](C)CCOCC[NH2+][C@@H](Cc1ccncc1)c1cccs1 ZINC000424285065 296498628 /nfs/dbraw/zinc/49/86/28/296498628.db2.gz UEJXASZHCSKHJC-INIZCTEOSA-N 2 0 319.474 2.595 20 0 DFADRP [NH3+]C1(c2noc(-c3ccc4c(c3)CC[NH2+]CC4)n2)CCCCC1 ZINC000424349952 296504562 /nfs/dbraw/zinc/50/45/62/296504562.db2.gz XADZHXKDBOUACC-UHFFFAOYSA-N 2 0 312.417 2.543 20 0 DFADRP [NH3+][C@@H]1CCCC[C@H]1NC1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000424363921 296504962 /nfs/dbraw/zinc/50/49/62/296504962.db2.gz CHIBOUQSZHGANG-RTBURBONSA-N 2 0 319.468 2.692 20 0 DFADRP C[C@H](CN1CC[NH+](C)CC1)[NH2+]Cc1ccc(C2CCC2)cc1 ZINC000293678200 543020495 /nfs/dbraw/zinc/02/04/95/543020495.db2.gz VIYCQDLCWPKOPJ-MRXNPFEDSA-N 2 0 301.478 2.680 20 0 DFADRP Cc1cccc(NC(=O)C[C@@H](C)[NH2+]C[C@H](C)C[NH+](C)C)c1C ZINC000293770344 543021734 /nfs/dbraw/zinc/02/17/34/543021734.db2.gz SPCQCNORGXDVMK-DZGCQCFKSA-N 2 0 305.466 2.808 20 0 DFADRP C[C@H]([NH2+][C@H]1CCCCC[C@@H]1O)c1cccc(OCC[NH+](C)C)c1 ZINC000348691345 285643735 /nfs/dbraw/zinc/64/37/35/285643735.db2.gz CFPHXZFUGRCQLR-SNRMKQJTSA-N 2 0 320.477 2.971 20 0 DFADRP CC[NH+](CC)C[C@@H]1CC[N@H+](C[C@@H](Cc2ccccc2)OC)C1 ZINC000295087455 543029768 /nfs/dbraw/zinc/02/97/68/543029768.db2.gz RTWQOPSIRVKHCF-RBUKOAKNSA-N 2 0 304.478 2.908 20 0 DFADRP C[C@H]([NH2+][C@H]1CCN(Cc2ccccc2)[C@H]1C)C1CC[NH+](C)CC1 ZINC000309905965 543066971 /nfs/dbraw/zinc/06/69/71/543066971.db2.gz QKJMWQNEEPHRMA-ZWOKBUDYSA-N 2 0 315.505 2.969 20 0 DFADRP C[NH+]1CCN(C(C)(C)C[NH2+][C@H]2CCCc3ccccc32)CC1 ZINC000314213536 543068322 /nfs/dbraw/zinc/06/83/22/543068322.db2.gz SDIICEOBAWSKTO-SFHVURJKSA-N 2 0 301.478 2.680 20 0 DFADRP CCCOc1ccc(OCC[N@@H+]2CC[C@H]([NH3+])[C@H](CC)C2)cc1 ZINC000317616431 543076160 /nfs/dbraw/zinc/07/61/60/543076160.db2.gz TUAIUNMGXSBWOM-QAPCUYQASA-N 2 0 306.450 2.913 20 0 DFADRP CCC[NH+]1CCC(N(C)C(=O)CC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000339269740 543142705 /nfs/dbraw/zinc/14/27/05/543142705.db2.gz KNFMXOUBQGKMOU-INIZCTEOSA-N 2 0 309.498 2.584 20 0 DFADRP c1nn(-c2ccccc2)cc1CC[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000339070075 543139351 /nfs/dbraw/zinc/13/93/51/543139351.db2.gz WDQYRIPPTSVXSI-HKUYNNGSSA-N 2 0 310.445 2.631 20 0 DFADRP FC(F)(F)c1csc(CC[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)n1 ZINC000339067090 543140310 /nfs/dbraw/zinc/14/03/10/543140310.db2.gz FNLUZMGNTNHWFC-MNOVXSKESA-N 2 0 319.396 2.921 20 0 DFADRP CC[NH+]1CCN(c2ccc(C[NH2+][C@H]3CC[C@@H]3C3CC3)cn2)CC1 ZINC000348077783 543182874 /nfs/dbraw/zinc/18/28/74/543182874.db2.gz FFOWLXIYIXVPQE-MSOLQXFVSA-N 2 0 314.477 2.502 20 0 DFADRP C[NH+]1CCN(Cc2ccc(C[NH2+][C@@H]3CC[C@H]3C3CC3)cc2)CC1 ZINC000348081056 543183191 /nfs/dbraw/zinc/18/31/91/543183191.db2.gz HXWBSKQTULKZPS-VQTJNVASSA-N 2 0 313.489 2.712 20 0 DFADRP OC1CC[NH+](Cc2ccccc2C[NH2+][C@H]2CC[C@H]2C2CC2)CC1 ZINC000348103437 543183356 /nfs/dbraw/zinc/18/33/56/543183356.db2.gz BUPZXPQDHVYTHO-PMACEKPBSA-N 2 0 314.473 2.922 20 0 DFADRP COC1(C[NH+]2CCC(OCC[NH+]3CCCC3)CC2)CCCC1 ZINC000361570706 292110426 /nfs/dbraw/zinc/11/04/26/292110426.db2.gz FLENYZMACMUTEW-UHFFFAOYSA-N 2 0 310.482 2.522 20 0 DFADRP CC[C@@H](C(=O)N[C@H](C)C[NH+](CC)CC)[N@H+](C)Cc1ccccc1 ZINC000353415558 543235315 /nfs/dbraw/zinc/23/53/15/543235315.db2.gz KRVVZALZJHARPZ-AEFFLSMTSA-N 2 0 319.493 2.744 20 0 DFADRP COC1(C[C@H](C)[NH2+]CC2(SC)CC[NH+](C)CC2)CCC1 ZINC000353661768 292125430 /nfs/dbraw/zinc/12/54/30/292125430.db2.gz QYQXGUOLMRFLPY-AWEZNQCLSA-N 2 0 300.512 2.751 20 0 DFADRP O[C@@H]1CCCC[C@H]1[NH2+]C[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000378897379 543296828 /nfs/dbraw/zinc/29/68/28/543296828.db2.gz DLOJXLDXTYGBSL-IPMKNSEASA-N 2 0 302.462 2.792 20 0 DFADRP C[C@@H]([NH2+][C@H]1CN(Cc2ccccc2)C[C@H]1C)C1CC[NH+](C)CC1 ZINC000389794618 543305518 /nfs/dbraw/zinc/30/55/18/543305518.db2.gz SNWPVHWITXRPNW-HLIPFELVSA-N 2 0 315.505 2.827 20 0 DFADRP [NH3+][C@@H]1CCC[C@@H]([NH2+]CC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000397640644 543310947 /nfs/dbraw/zinc/31/09/47/543310947.db2.gz SAOLKSULRRYAMI-RTBURBONSA-N 3 0 301.478 2.758 20 0 DFADRP CC(C)[C@@H](O)CC[NH2+][C@H](C)c1cccc(OCC[NH+](C)C)c1 ZINC000165399961 145230823 /nfs/dbraw/zinc/23/08/23/145230823.db2.gz VSMLWOOKLWWWGN-QAPCUYQASA-N 2 0 308.466 2.685 20 0 DFADRP C[C@H](CC(=O)N1CC[NH+](CCC(C)(C)C)CC1)[C@H]1CCC[NH2+]C1 ZINC000165701498 145231486 /nfs/dbraw/zinc/23/14/86/145231486.db2.gz GITDDJPZMNKAGJ-SJORKVTESA-N 2 0 323.525 2.593 20 0 DFADRP COc1c(Br)cccc1C[NH2+][C@H]1CCC[C@H]([NH3+])C1 ZINC000414928142 543327682 /nfs/dbraw/zinc/32/76/82/543327682.db2.gz PWIXLYBGCLTWDA-RYUDHWBXSA-N 2 0 313.239 2.817 20 0 DFADRP Brc1ccc(C[NH2+]C[C@H]2CC[NH2+]C2)c2ncccc12 ZINC000414915907 543327932 /nfs/dbraw/zinc/32/79/32/543327932.db2.gz OUKQJAWTOYSAEL-NSHDSACASA-N 2 0 320.234 2.696 20 0 DFADRP CC[N@@H+]1CC[C@@H](NCc2cc(OC)c(OC)c(OC)c2)[C@H](C)C1 ZINC000173363872 145341578 /nfs/dbraw/zinc/34/15/78/145341578.db2.gz FNUFIDOCCURUKA-UKRRQHHQSA-N 2 0 322.449 2.532 20 0 DFADRP CC[C@@H]1[C@@H](C(=O)Nc2ccc3c(c2)CC[C@H]3[NH+](C)C)CC[N@@H+]1C ZINC000633318939 399886617 /nfs/dbraw/zinc/88/66/17/399886617.db2.gz FJMQIXZQXBTVBO-RCCFBDPRSA-N 2 0 315.461 2.904 20 0 DFADRP Cc1cc(C)c(/C=C\C[NH2+]CCCN2CC[NH+](C)CC2)c(C)c1 ZINC000631035725 399966408 /nfs/dbraw/zinc/96/64/08/399966408.db2.gz OMMSOQDHFWOBDT-ALCCZGGFSA-N 2 0 315.505 2.852 20 0 DFADRP CC[NH+]1CCC(C[NH2+]Cc2c(OC)cc(F)cc2OC)CC1 ZINC000631064384 399972533 /nfs/dbraw/zinc/97/25/33/399972533.db2.gz RQSJCWZDWUCONL-UHFFFAOYSA-N 2 0 310.413 2.664 20 0 DFADRP CC[NH+]1CCC(CC[NH2+]Cc2cnc(CCOC)s2)CC1 ZINC000631080101 399976572 /nfs/dbraw/zinc/97/65/72/399976572.db2.gz WMWBNMYWNVMOJQ-UHFFFAOYSA-N 2 0 311.495 2.544 20 0 DFADRP CCC1([NH+](C)C)CCN(C(=O)C2C[NH+](C3CCCCC3)C2)CC1 ZINC000634125174 399985948 /nfs/dbraw/zinc/98/59/48/399985948.db2.gz PSJJJVXWLCKGAS-UHFFFAOYSA-N 2 0 321.509 2.584 20 0 DFADRP Cc1ccc([C@H](C)C[N@@H+]2CC[C@@H](CN3CCOCC3)C2)cc1 ZINC000628184018 399997201 /nfs/dbraw/zinc/99/72/01/399997201.db2.gz XFCCYSABRHLENT-MSOLQXFVSA-N 2 0 302.462 2.753 20 0 DFADRP C[C@H]1C[C@@H](N(C)Cc2ccc(F)c(F)c2N(C)C)CC[N@@H+]1C ZINC000628183776 399997476 /nfs/dbraw/zinc/99/74/76/399997476.db2.gz MXZJNYXREVRBIR-JSGCOSHPSA-N 2 0 311.420 2.945 20 0 DFADRP CC[NH+]1CCN(C[C@H](C)C[NH2+]C[C@H](C)c2ccc(C)cc2)CC1 ZINC000628213484 400002539 /nfs/dbraw/zinc/00/25/39/400002539.db2.gz LXIZYIYFNDZTAS-MOPGFXCFSA-N 2 0 317.521 2.962 20 0 DFADRP C[N@@H+]1CC[C@@H]([NH2+]C2(CO)C3CC4CC(C3)CC2C4)CC1(C)C ZINC000628311486 400018587 /nfs/dbraw/zinc/01/85/87/400018587.db2.gz NXCMKXDIRYGGLH-CMPFZWEDSA-N 2 0 306.494 2.636 20 0 DFADRP CCC[C@H]([NH2+]CCCC[NH+]1CCN(C)CC1)c1cc(C)ccn1 ZINC000631565846 400051706 /nfs/dbraw/zinc/05/17/06/400051706.db2.gz JLVNQRYMXRVADL-SFHVURJKSA-N 2 0 318.509 2.848 20 0 DFADRP COc1cccc2c1OCCC[C@@H]2[NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000631566137 400052163 /nfs/dbraw/zinc/05/21/63/400052163.db2.gz LQYCFQYJOHRDAV-YOEHRIQHSA-N 2 0 316.445 2.983 20 0 DFADRP CCC[C@H]([NH2+]CCCN1CCC[N@H+](C)CC1)c1cc(C)ccn1 ZINC000631578140 400053727 /nfs/dbraw/zinc/05/37/27/400053727.db2.gz PBRQVJGSBZFUQY-SFHVURJKSA-N 2 0 318.509 2.848 20 0 DFADRP CC(C)C[N@@H+]1CCC[C@H](C[NH2+][C@H]2[C@@H]3CCO[C@@H]3C23CCC3)C1 ZINC000631601751 400057248 /nfs/dbraw/zinc/05/72/48/400057248.db2.gz VKJGFHHWQLKSBM-OWSLCNJRSA-N 2 0 306.494 2.902 20 0 DFADRP COc1ccc2c(c1)CC[C@H]2[NH2+][C@@H](C)CN(C)CCC[NH+](C)C ZINC000631648019 400061892 /nfs/dbraw/zinc/06/18/92/400061892.db2.gz URDKWGJGYWKVLY-HNAYVOBHSA-N 2 0 319.493 2.544 20 0 DFADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1CN[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000631661627 400063498 /nfs/dbraw/zinc/06/34/98/400063498.db2.gz AMRKBJGQDQGLIO-JYBIWHBTSA-N 2 0 315.505 2.827 20 0 DFADRP C[C@@H]([NH2+][C@H]1C[C@@H](C)O[C@H]1C)c1ccc(OCC[NH+](C)C)cc1 ZINC000631698844 400068141 /nfs/dbraw/zinc/06/81/41/400068141.db2.gz BOMYWLKALCBCPT-BSXFFOKHSA-N 2 0 306.450 2.844 20 0 DFADRP C[C@@H]1C[NH+](CCCC[NH2+]Cc2ncc(Cl)s2)C[C@@H](C)O1 ZINC000349567512 285889341 /nfs/dbraw/zinc/88/93/41/285889341.db2.gz XUJGANMVBDDZPG-VXGBXAGGSA-N 2 0 317.886 2.776 20 0 DFADRP c1cc(C[N@@H+]2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)c2c(c1)COCC2 ZINC000631822751 400077713 /nfs/dbraw/zinc/07/77/13/400077713.db2.gz NDCRQMIYYGSIQC-LPHOPBHVSA-N 2 0 300.446 2.723 20 0 DFADRP c1cc(C[N@@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)c2c(c1)COCC2 ZINC000631827481 400078003 /nfs/dbraw/zinc/07/80/03/400078003.db2.gz PDDSSEDFMQJGCH-HOTGVXAUSA-N 2 0 300.446 2.581 20 0 DFADRP [NH3+][C@@H]1CCCO[C@H]1C1CC[NH+](C[C@@H]2CCC(F)(F)C2)CC1 ZINC000631828446 400078128 /nfs/dbraw/zinc/07/81/28/400078128.db2.gz PEBHSONBYMSTCC-YUELXQCFSA-N 2 0 302.409 2.640 20 0 DFADRP C[C@H]1C[N@H+](Cc2ccc(OCc3ccccn3)cc2)C[C@@H]1C[NH3+] ZINC000631839628 400078924 /nfs/dbraw/zinc/07/89/24/400078924.db2.gz IQJIPHINFOBDGT-RDJZCZTQSA-N 2 0 311.429 2.687 20 0 DFADRP COc1ccc(C[NH2+]CCC[NH2+]C2CC2)cc1Br ZINC000228409336 146009948 /nfs/dbraw/zinc/00/99/48/146009948.db2.gz BBTUUZREITXWOW-UHFFFAOYSA-N 2 0 313.239 2.689 20 0 DFADRP C[C@@H]([NH2+]CCOCC[NH+](C)C)c1ccccc1C(F)(F)F ZINC000231786820 146017037 /nfs/dbraw/zinc/01/70/37/146017037.db2.gz CUHXLYQTPRVGHS-GFCCVEGCSA-N 2 0 304.356 2.934 20 0 DFADRP COC[C@H](CCC[NH3+])[NH2+][C@@H](C)c1ccc(Br)cc1 ZINC000234801717 146018402 /nfs/dbraw/zinc/01/84/02/146018402.db2.gz JBZVUQGWHXZTLY-FZMZJTMJSA-N 2 0 315.255 2.854 20 0 DFADRP C[C@H](C[NH2+]C[C@H](O)C[NH+]1CCC(C)CC1)c1ccc(F)cc1 ZINC000236707115 146024598 /nfs/dbraw/zinc/02/45/98/146024598.db2.gz MTCPDAVQBAPUGD-QAPCUYQASA-N 2 0 308.441 2.612 20 0 DFADRP CCCC[C@@H]([NH3+])C(=O)NCC(C)(C)[NH2+][C@@H](C)c1ccccc1 ZINC000236733256 146025736 /nfs/dbraw/zinc/02/57/36/146025736.db2.gz WUXZOTDWEKEAJX-GOEBONIOSA-N 2 0 305.466 2.750 20 0 DFADRP CCCC[C@H]([NH3+])C(=O)NCC[C@H](C)[N@H+](C)Cc1ccccc1 ZINC000236799277 146027711 /nfs/dbraw/zinc/02/77/11/146027711.db2.gz RRXKFJYCNRIYSC-RDJZCZTQSA-N 2 0 305.466 2.531 20 0 DFADRP CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)[C@@]2(C)CCCC[NH2+]2)C1 ZINC000237053391 146036389 /nfs/dbraw/zinc/03/63/89/146036389.db2.gz RFCSKJMOFFVCGJ-MAUKXSAKSA-N 2 0 309.498 2.535 20 0 DFADRP CC[NH+](CC)CCC[C@H](C)NC(=O)[C@H](C)[NH+]1[C@@H](C)CC[C@@H]1C ZINC000245202295 146063090 /nfs/dbraw/zinc/06/30/90/146063090.db2.gz QVSXJFQPMQSJNB-QAETUUGQSA-N 2 0 311.514 2.874 20 0 DFADRP CN(CC[C@@H]1CCC[N@@H+]1C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000245622108 146088585 /nfs/dbraw/zinc/08/85/85/146088585.db2.gz OAQYKTSYCAFKEK-UXHICEINSA-N 2 0 315.505 2.925 20 0 DFADRP C[C@H](c1ccc([S@@](C)=O)cc1)N(C)CC[C@H]1CCC[N@@H+]1C ZINC000245724570 146098395 /nfs/dbraw/zinc/09/83/95/146098395.db2.gz VCGHUGUDXLZQGY-IUSZMWJPSA-N 2 0 308.491 2.901 20 0 DFADRP CC[N@@H+]1CC[C@H]([NH2+]CCCc2nc3ccccc3[nH]2)[C@@H](C)C1 ZINC000247136932 146163569 /nfs/dbraw/zinc/16/35/69/146163569.db2.gz SAUKSCYLXPYVBL-GJZGRUSLSA-N 2 0 300.450 2.815 20 0 DFADRP O[C@@H]1CC[C@H](C[NH2+][C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)C1 ZINC000249038464 146184616 /nfs/dbraw/zinc/18/46/16/146184616.db2.gz GKESKQXWQQGAHL-UHZRXMQZSA-N 2 0 314.473 2.648 20 0 DFADRP C[C@@H]1C[C@@H](NC[C@H]2CC[NH+](Cc3ccccc3)C2)C[N@@H+]1C1CC1 ZINC000249099390 146187010 /nfs/dbraw/zinc/18/70/10/146187010.db2.gz NGPJGKFKVHNQNT-BHIYHBOVSA-N 2 0 313.489 2.723 20 0 DFADRP C[C@@H](O)[C@](C)(C[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1)Cc1ccccc1 ZINC000249615392 146202462 /nfs/dbraw/zinc/20/24/62/146202462.db2.gz OXGFUDFMGQIQAQ-RWQQGDIJSA-N 2 0 304.478 2.689 20 0 DFADRP C[C@H](C(=O)NCC(C)(C)[NH+]1CCCCC1)[NH+]1[C@H](C)CC[C@H]1C ZINC000249764198 146205777 /nfs/dbraw/zinc/20/57/77/146205777.db2.gz YGZBOKXTWWVPAX-BZUAXINKSA-N 2 0 309.498 2.628 20 0 DFADRP C[C@H](N[C@@H]1CCC[C@@H]([NH3+])C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000261532489 146238585 /nfs/dbraw/zinc/23/85/85/146238585.db2.gz AJILRXROTUFREI-JCHJZTRSSA-N 2 0 301.478 2.757 20 0 DFADRP C[C@]1(C[N@@H+](Cc2ccccc2)CC2CCOCC2)CC[NH2+]C1 ZINC000261684015 146259120 /nfs/dbraw/zinc/25/91/20/146259120.db2.gz ANGVLLPQDNYDPC-IBGZPJMESA-N 2 0 302.462 2.915 20 0 DFADRP COc1ccc(CN(CC[NH3+])CCc2ccccc2)cc1F ZINC000261695099 146261171 /nfs/dbraw/zinc/26/11/71/146261171.db2.gz FORFLJSETWUJDA-UHFFFAOYSA-N 2 0 302.393 2.838 20 0 DFADRP COc1ccc(CN2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)c(Cl)c1OC ZINC000261710946 146263994 /nfs/dbraw/zinc/26/39/94/146263994.db2.gz PBTGIHRLJJOZKX-WCFLWFBJSA-N 2 0 310.825 2.526 20 0 DFADRP C[C@@H](CC(=O)NC[C@]1([NH+](C)C)CCC[C@@H](C)C1)[C@H]1CCC[NH2+]C1 ZINC000261745164 146269858 /nfs/dbraw/zinc/26/98/58/146269858.db2.gz OMACITXINHCRRE-DFEOGRTESA-N 2 0 323.525 2.639 20 0 DFADRP [NH3+]C[C@@H]1CC[N@H+](Cc2c[nH]nc2-c2ccc(C(F)(F)F)cc2)C1 ZINC000261749171 146271191 /nfs/dbraw/zinc/27/11/91/146271191.db2.gz CAZFSBQDRMJDET-NSHDSACASA-N 2 0 324.350 2.876 20 0 DFADRP Cc1ncsc1C[N@H+](C[C@H]1CC[NH2+]C1)C[C@@H]1CCSC1 ZINC000261773882 146274883 /nfs/dbraw/zinc/27/48/83/146274883.db2.gz DWMPHOOYHGCILN-KBPBESRZSA-N 2 0 311.520 2.616 20 0 DFADRP CC[C@@H](c1ccc(Cl)cc1)[N@@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000261773583 146275090 /nfs/dbraw/zinc/27/50/90/146275090.db2.gz WEQJVOCDZYSSLM-IRXDYDNUSA-N 2 0 307.869 2.771 20 0 DFADRP CCOc1ccc(OCC[NH+]2CCC([C@@H]3CCC[NH2+]3)CC2)cc1 ZINC000261781924 146275614 /nfs/dbraw/zinc/27/56/14/146275614.db2.gz RYUPKVQAHWGCPL-IBGZPJMESA-N 2 0 318.461 2.928 20 0 DFADRP CC(C)c1ccccc1NC(=O)C[NH+]1CCC([C@@H](C)[NH3+])CC1 ZINC000261816691 146281426 /nfs/dbraw/zinc/28/14/26/146281426.db2.gz AIWORDLPYAZKKA-CQSZACIVSA-N 2 0 303.450 2.808 20 0 DFADRP CCCOc1ccc(OCC[N@@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)cc1 ZINC000261816886 146281489 /nfs/dbraw/zinc/28/14/89/146281489.db2.gz GZBZZOFBMVFKEQ-SNRMKQJTSA-N 2 0 318.461 2.913 20 0 DFADRP CC(C)c1ccc(NC(=O)CN2CCC[C@@H]([C@H](C)[NH3+])C2)cc1 ZINC000261863768 146290212 /nfs/dbraw/zinc/29/02/12/146290212.db2.gz GIFRMJKGRUIQDZ-GOEBONIOSA-N 2 0 303.450 2.808 20 0 DFADRP C[C@]1(C[NH+]2CCC(CN3CCc4ccccc43)CC2)CC[NH2+]C1 ZINC000261913215 146300178 /nfs/dbraw/zinc/30/01/78/146300178.db2.gz YVYLNMCTKUEKFM-FQEVSTJZSA-N 2 0 313.489 2.761 20 0 DFADRP [NH3+][C@@H]1CC[C@@H]2CN(Cc3c(F)cccc3Br)C[C@H]12 ZINC000261937017 146306150 /nfs/dbraw/zinc/30/61/50/146306150.db2.gz MGBWSHGWOICPAY-ISTVAULSSA-N 2 0 313.214 2.757 20 0 DFADRP CCOc1cc(C[NH+]2CCC(C[NH3+])CC2)ccc1OC(F)F ZINC000261943828 146307807 /nfs/dbraw/zinc/30/78/07/146307807.db2.gz LWHLDYLJLUVWNF-UHFFFAOYSA-N 2 0 314.376 2.857 20 0 DFADRP C[C@]1(C[N@@H+]2CCC[C@H](c3cc(C(F)(F)F)n[nH]3)C2)CC[NH2+]C1 ZINC000261964130 146310057 /nfs/dbraw/zinc/31/00/57/146310057.db2.gz HOOLKLQDQGQYHS-FZMZJTMJSA-N 2 0 316.371 2.608 20 0 DFADRP C[NH2+]CCC1CC[NH+](Cc2ccc(N(C)C(C)C)nc2)CC1 ZINC000261991304 146317929 /nfs/dbraw/zinc/31/79/29/146317929.db2.gz SJYHJWZBYNADBH-UHFFFAOYSA-N 2 0 304.482 2.748 20 0 DFADRP C[C@@H]1C[N@H+](CC2CC[NH2+]CC2)[C@@H](C)CN1Cc1ccccc1 ZINC000262014962 146322122 /nfs/dbraw/zinc/32/21/22/146322122.db2.gz VPRKJQXDSGLVAM-SJORKVTESA-N 2 0 301.478 2.581 20 0 DFADRP COc1cc(C[N@@H+]2CCCC[C@@H]2CC[NH3+])ccc1OC(F)F ZINC000262020013 146323722 /nfs/dbraw/zinc/32/37/22/146323722.db2.gz XNGPTQRSQVOBGJ-CYBMUJFWSA-N 2 0 314.376 3.000 20 0 DFADRP Fc1ccc(OCC[N@@H+]2CCC3(C2)CC[NH2+]CC3)c(Cl)c1 ZINC000262102675 146332836 /nfs/dbraw/zinc/33/28/36/146332836.db2.gz JCUAHNAMJRWBDX-UHFFFAOYSA-N 2 0 312.816 2.933 20 0 DFADRP [NH3+]CC[C@H]1CCC[N@H+](Cc2ccc(OC[C@H]3CCCO3)cc2)C1 ZINC000262170096 146339855 /nfs/dbraw/zinc/33/98/55/146339855.db2.gz VAFNBIWCDCLYRQ-VQIMIIECSA-N 2 0 318.461 2.805 20 0 DFADRP CC[NH+](CC)Cc1cccc(NC(=O)[C@@H]2C[C@@H](C)CC[NH2+]2)c1 ZINC000262518124 146367006 /nfs/dbraw/zinc/36/70/06/146367006.db2.gz NTLCVYFHLJJCRI-YOEHRIQHSA-N 2 0 303.450 2.855 20 0 DFADRP COc1cc(C[N@H+](C)[C@@H]2CCC[NH2+]CC2)ccc1OC(F)F ZINC000262562278 146372965 /nfs/dbraw/zinc/37/29/65/146372965.db2.gz VTDTYMWFMUDPJY-CYBMUJFWSA-N 2 0 314.376 2.871 20 0 DFADRP C[C@H](C(=O)Nc1ccc(Cl)cc1)[NH+]1CCC(C[NH+](C)C)CC1 ZINC000354377417 147014211 /nfs/dbraw/zinc/01/42/11/147014211.db2.gz BVNPWUSJILJCGU-CYBMUJFWSA-N 2 0 323.868 2.941 20 0 DFADRP CC(C)n1nccc1C[NH2+]Cc1ccc(F)c(C[NH+](C)C)c1 ZINC000354506459 147060594 /nfs/dbraw/zinc/06/05/94/147060594.db2.gz HRLSZNZIAFUZMC-UHFFFAOYSA-N 2 0 304.413 2.955 20 0 DFADRP Cc1ccc2[nH+]ccc(N3CCN(Cc4ncc[nH]4)CC3)c2c1 ZINC000354566159 147081306 /nfs/dbraw/zinc/08/13/06/147081306.db2.gz LEVDCIJGVLJURM-UHFFFAOYSA-N 2 0 307.401 2.589 20 0 DFADRP CC[NH+]1CCN(c2ccc(C[NH2+][C@@H]3CC[C@H]3C(C)C)cn2)CC1 ZINC000514099363 543422085 /nfs/dbraw/zinc/42/20/85/543422085.db2.gz NNUYYWLSOKZBRR-ZWKOTPCHSA-N 2 0 316.493 2.748 20 0 DFADRP CC(C)[C@H](C(=O)NC[C@H](C)[N@@H+]1CCCC[C@@H]1C)[NH+]1CCCCC1 ZINC000354661318 147107785 /nfs/dbraw/zinc/10/77/85/147107785.db2.gz NTXMIMSYLQDTHO-OKZBNKHCSA-N 2 0 323.525 2.876 20 0 DFADRP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000355213567 147225052 /nfs/dbraw/zinc/22/50/52/147225052.db2.gz FKGMNOPPAKKVNG-YVWKXTFCSA-N 2 0 313.489 2.581 20 0 DFADRP COc1ccc(C[N@@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@@H]32)cc1C ZINC000355217469 147226490 /nfs/dbraw/zinc/22/64/90/147226490.db2.gz HFOFWSAQVBRIME-ZIFCJYIRSA-N 2 0 318.461 2.687 20 0 DFADRP CC[N@@H+]1CC[C@@H](N(C)Cc2cc3c(cc2OC)OCO3)[C@H](C)C1 ZINC000355359642 147282821 /nfs/dbraw/zinc/28/28/21/147282821.db2.gz SDHSMLZFPLIANQ-UKRRQHHQSA-N 2 0 320.433 2.586 20 0 DFADRP C[C@H]([NH2+]Cc1ccc(OCCC[NH+](C)C)cc1)[C@@H]1CCCOC1 ZINC000355774604 147444259 /nfs/dbraw/zinc/44/42/59/147444259.db2.gz OOKCNFCPGCZPGW-FUHWJXTLSA-N 2 0 320.477 2.922 20 0 DFADRP Cc1cc(C)cc(NC(=O)C[NH+]2CCC([C@@H]3CC[NH2+]C3)CC2)c1 ZINC000357107444 147863827 /nfs/dbraw/zinc/86/38/27/147863827.db2.gz RHGBZKBWDIKPID-QGZVFWFLSA-N 2 0 315.461 2.563 20 0 DFADRP CCCC[N@H+](C)C[C@H](C)Nc1cncc(-n2ccnc2C)n1 ZINC000357586785 148048666 /nfs/dbraw/zinc/04/86/66/148048666.db2.gz YUHCKDXNIVIARS-ZDUSSCGKSA-N 2 0 302.426 2.503 20 0 DFADRP CCC(C)(C)[NH2+][C@H](C)C(=O)N1CCC(CCC[NH+](C)C)CC1 ZINC000357590983 148049977 /nfs/dbraw/zinc/04/99/77/148049977.db2.gz AOVBQQJTRHNCDR-OAHLLOKOSA-N 2 0 311.514 2.734 20 0 DFADRP c1ccc([C@H]2C[C@@H]2C[NH+]2CCC(C[NH+]3CCOCC3)CC2)cc1 ZINC000350149130 286011283 /nfs/dbraw/zinc/01/12/83/286011283.db2.gz UQBVLPCZHJHTJM-WOJBJXKFSA-N 2 0 314.473 2.834 20 0 DFADRP CC[NH+](CC)CC1CC[NH+](Cc2cnc3ccccn23)CC1 ZINC000350150380 286011541 /nfs/dbraw/zinc/01/15/41/286011541.db2.gz WDXPMSIFQDYMOP-UHFFFAOYSA-N 2 0 300.450 2.888 20 0 DFADRP COC[C@@H](CC(C)C)[NH2+]CC1CCN(c2cc[nH+]cc2)CC1 ZINC000357840985 148145065 /nfs/dbraw/zinc/14/50/65/148145065.db2.gz OBGODWHYIQRMTF-QGZVFWFLSA-N 2 0 305.466 2.949 20 0 DFADRP C[NH+](C)CC1CC[NH+](Cc2cnc([C@H]3CCCO3)s2)CC1 ZINC000350185557 286017455 /nfs/dbraw/zinc/01/74/55/286017455.db2.gz WFGFBVPOBJRRPX-OAHLLOKOSA-N 2 0 309.479 2.768 20 0 DFADRP COC(=O)c1ccc(Cl)c(C[NH+]2CCC(C[NH+](C)C)CC2)c1 ZINC000358038560 148221917 /nfs/dbraw/zinc/22/19/17/148221917.db2.gz HEBQZHWZNKOXCO-UHFFFAOYSA-N 2 0 324.852 2.900 20 0 DFADRP Fc1ccccc1[C@@H]1C[C@H]1[NH2+]Cc1cc(C2CC[NH2+]CC2)no1 ZINC000425897633 296603500 /nfs/dbraw/zinc/60/35/00/296603500.db2.gz VKDCEMAGEVSMDZ-MAUKXSAKSA-N 2 0 315.392 2.926 20 0 DFADRP CS[C@@H]1CCC[C@H]([NH2+]Cc2cc(C3CC[NH2+]CC3)no2)C1 ZINC000425901898 296603711 /nfs/dbraw/zinc/60/37/11/296603711.db2.gz REDZPMRPBQKJKU-DZGCQCFKSA-N 2 0 309.479 2.905 20 0 DFADRP C[C@H](NC(=O)C[N@H+]1[C@H](C)CC[C@@H]1C)[C@@H]1CCC[NH+](C2CCC2)C1 ZINC000358110571 148247656 /nfs/dbraw/zinc/24/76/56/148247656.db2.gz KNCBUJHRUZGCQF-VVLHAWIVSA-N 2 0 321.509 2.628 20 0 DFADRP Cn1cc(-c2cccc(C[NH2+][C@H]3CC[N@@H+]4CCC[C@H]4C3)c2)cn1 ZINC000358238246 148298970 /nfs/dbraw/zinc/29/89/70/148298970.db2.gz FBZPDZPDDUAFOT-OALUTQOASA-N 2 0 310.445 2.804 20 0 DFADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]CCc2ccncc2C)[C@H](C)C1 ZINC000358253398 148305724 /nfs/dbraw/zinc/30/57/24/148305724.db2.gz OZNJBOKZOKVNSD-MJGOQNOKSA-N 2 0 319.493 2.659 20 0 DFADRP C[C@H]1C[N@H+](C)CC[C@H]1[NH2+]CCOc1ncc(Cl)cc1Cl ZINC000358283621 148318299 /nfs/dbraw/zinc/31/82/99/148318299.db2.gz GLVNJPFCUIWIQX-GXFFZTMASA-N 2 0 318.248 2.697 20 0 DFADRP Cc1cnc(CC[NH2+]C2CC[NH+](C3CCCCC3)CC2)nc1 ZINC000358351094 148338737 /nfs/dbraw/zinc/33/87/37/148338737.db2.gz JQEIYQJPYJNGCE-UHFFFAOYSA-N 2 0 302.466 2.714 20 0 DFADRP Cc1ccc(NC(=O)[C@@H](C)[N@@H+]2CCC3(C2)CC[NH2+]CC3)cc1F ZINC000358502023 148379496 /nfs/dbraw/zinc/37/94/96/148379496.db2.gz UQXSWOPLCRIMTQ-CQSZACIVSA-N 2 0 319.424 2.537 20 0 DFADRP CCOc1ccc(OCC[N@@H+]2CCC3(C2)CC[NH2+]CC3)cc1 ZINC000358522230 148381455 /nfs/dbraw/zinc/38/14/55/148381455.db2.gz ZRKWVOUYFNLRNC-UHFFFAOYSA-N 2 0 304.434 2.540 20 0 DFADRP [NH3+]C[C@]12CCC[C@H]1C[N@H+](Cc1ccc(Oc3cnccn3)cc1)C2 ZINC000650709110 543512534 /nfs/dbraw/zinc/51/25/34/543512534.db2.gz BXWLOAPMBSQPAI-LPHOPBHVSA-N 2 0 324.428 2.830 20 0 DFADRP C[C@]1(C[NH2+]C2CC[NH+](CCc3ccccc3)CC2)CCOC1 ZINC000360244866 148832484 /nfs/dbraw/zinc/83/24/84/148832484.db2.gz HUSSWYXYFBKDPY-LJQANCHMSA-N 2 0 302.462 2.710 20 0 DFADRP CC[NH+](CC)CCOC1CC[NH+](CCCc2ccncc2)CC1 ZINC000360454413 148850417 /nfs/dbraw/zinc/85/04/17/148850417.db2.gz IZYRQUMGDZIJPV-UHFFFAOYSA-N 2 0 319.493 2.837 20 0 DFADRP Cc1ccc(C)c([C@@H](C)[NH2+]CCC[N@@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000361176902 149047770 /nfs/dbraw/zinc/04/77/70/149047770.db2.gz XTXNAXBJVKWJQR-IAGOWNOFSA-N 2 0 317.477 2.541 20 0 DFADRP CC(C)C[C@H]([NH2+]C[C@H](C)N1CC[NH+](C)CC1)c1ccccc1 ZINC000361184871 149050424 /nfs/dbraw/zinc/05/04/24/149050424.db2.gz YXRJKZJYWQNTDE-HKUYNNGSSA-N 2 0 303.494 2.999 20 0 DFADRP C[C@H]1C[C@@H](NCC[NH+]2CCCC2)CC[N@@H+]1Cc1ccccc1 ZINC000361345140 149092123 /nfs/dbraw/zinc/09/21/23/149092123.db2.gz YCOYGDSWPOQKAV-HKUYNNGSSA-N 2 0 301.478 2.725 20 0 DFADRP C[C@@H](CNC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)[NH+](C)C ZINC000361419681 149109652 /nfs/dbraw/zinc/10/96/52/149109652.db2.gz GLBOTTQYLKHEDJ-UXDRXVOSSA-N 2 0 301.478 2.722 20 0 DFADRP C[C@@H]1C[N@H+](C)CC[C@@H]1NC[C@H]1CCC[NH+]1Cc1ccccc1 ZINC000361482702 149126678 /nfs/dbraw/zinc/12/66/78/149126678.db2.gz YNMRYZJUIQADCK-QRQLOZEOSA-N 2 0 301.478 2.581 20 0 DFADRP C[C@H](O)C[NH+]1CCC(C[N@H+](C)Cc2ccsc2Cl)CC1 ZINC000361557376 149147564 /nfs/dbraw/zinc/14/75/64/149147564.db2.gz QMOKWHHXHMOACW-LBPRGKRZSA-N 2 0 316.898 2.926 20 0 DFADRP CC[C@H](C)[C@@H]([NH3+])C(=O)N1CCc2c1cccc2C[NH+]1CCCC1 ZINC000361710354 149198752 /nfs/dbraw/zinc/19/87/52/149198752.db2.gz IOMWJEKTQSGNFC-KBXCAEBGSA-N 2 0 315.461 2.545 20 0 DFADRP Cc1nn(C(C)C)cc1C[NH2+]CCCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000361887207 149247056 /nfs/dbraw/zinc/24/70/56/149247056.db2.gz CUKNFTYJIMMOEH-HZPDHXFCSA-N 2 0 322.497 2.751 20 0 DFADRP CC(C)CCC[C@@H](C)NC(=O)CN1CCC[C@H](c2ncc[nH]2)C1 ZINC000362865641 149385223 /nfs/dbraw/zinc/38/52/23/149385223.db2.gz SACNBWXVJOZEIP-CVEARBPZSA-N 2 0 320.481 2.920 20 0 DFADRP CCc1nocc1C[N@@H+]1CC[C@H](CNc2cccc(C)[nH+]2)C1 ZINC000351112816 286110324 /nfs/dbraw/zinc/11/03/24/286110324.db2.gz WKVPZVMQHZMHSR-CQSZACIVSA-N 2 0 300.406 2.874 20 0 DFADRP [NH3+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccc(OCC(F)(F)F)cc3)C[C@H]12 ZINC000351482086 286131481 /nfs/dbraw/zinc/13/14/81/286131481.db2.gz YRPTZAOEFDLTAL-VHDGCEQUSA-N 2 0 314.351 2.797 20 0 DFADRP [NH3+][C@@H]1CC[C@H]2C[N@H+](Cc3ccc(OCC(F)(F)F)cc3)C[C@@H]12 ZINC000351482085 286131544 /nfs/dbraw/zinc/13/15/44/286131544.db2.gz YRPTZAOEFDLTAL-NWANDNLSSA-N 2 0 314.351 2.797 20 0 DFADRP O[C@H](Cc1ccccc1)C[N@@H+]1CCC[C@H](C[NH+]2CCCCC2)C1 ZINC000371196062 150001052 /nfs/dbraw/zinc/00/10/52/150001052.db2.gz BPOKYCBBLWLROF-WOJBJXKFSA-N 2 0 316.489 2.788 20 0 DFADRP Cc1cc(C[N@H+]2CC[C@@H](N3CC[NH+](C(C)C)CC3)C2)ccc1F ZINC000371337127 150026978 /nfs/dbraw/zinc/02/69/78/150026978.db2.gz SHTYVQLTBZWFHB-GOSISDBHSA-N 2 0 319.468 2.734 20 0 DFADRP COc1cc(C[N@@H+]2CC[C@H](CNc3cc(C)cc[nH+]3)C2)ccn1 ZINC000371363036 150030947 /nfs/dbraw/zinc/03/09/47/150030947.db2.gz ZAGJIILZDLOVJZ-MRXNPFEDSA-N 2 0 312.417 2.728 20 0 DFADRP C[NH+](C)CCC1CC[NH+](Cc2cc(-c3cccnc3)n[nH]2)CC1 ZINC000371382441 150036193 /nfs/dbraw/zinc/03/61/93/150036193.db2.gz IVDIJRNGWNGCAA-UHFFFAOYSA-N 2 0 313.449 2.635 20 0 DFADRP Cc1noc(C2CCC([NH2+][C@@H]3CC[N@@H+]4CCC[C@@H]4C3)CC2)n1 ZINC000371449760 150049307 /nfs/dbraw/zinc/04/93/07/150049307.db2.gz XAUJUIISCPFAMS-QDIHITRGSA-N 2 0 304.438 2.621 20 0 DFADRP c1csc(Cn2cccc2C[NH2+][C@@H]2CCc3nccn3C2)c1 ZINC000371693533 150082285 /nfs/dbraw/zinc/08/22/85/150082285.db2.gz JVMQLEIRQAXYEN-CQSZACIVSA-N 2 0 312.442 2.899 20 0 DFADRP Cc1ccc(C[NH+](C)C)cc1NC(=O)[C@H]1C[C@@H]2CCCC[N@@H+]2C1 ZINC000371879690 150108204 /nfs/dbraw/zinc/10/82/04/150108204.db2.gz JYQFKQQGLIZVAK-IRXDYDNUSA-N 2 0 315.461 2.870 20 0 DFADRP CCc1nccn1[C@@H]1CCC[N@H+](CC[C@@H]2CCCC[NH+]2C)C1 ZINC000351598737 286164572 /nfs/dbraw/zinc/16/45/72/286164572.db2.gz VEUDYCGZIWBMIS-DLBZAZTESA-N 2 0 304.482 2.957 20 0 DFADRP C[N@H+](C[C@@H]1CC12CC[NH+](CCC(=O)OC(C)(C)C)CC2)C1CC1 ZINC000372842072 150191103 /nfs/dbraw/zinc/19/11/03/150191103.db2.gz NTWNNQSTRGOOHD-HNNXBMFYSA-N 2 0 322.493 2.915 20 0 DFADRP Cc1ccc(C[N@H+]2CCC[C@H](CN3CC[NH+](C)CC3)C2)cc1C ZINC000373001942 150214678 /nfs/dbraw/zinc/21/46/78/150214678.db2.gz YXKCZLPZXPSWHY-HXUWFJFHSA-N 2 0 315.505 2.763 20 0 DFADRP CC(=O)Nc1ccccc1C[N@H+]1CCC[C@@H](c2nccn2C)C1 ZINC000373230847 150250901 /nfs/dbraw/zinc/25/09/01/150250901.db2.gz RGQKQEDPLZKRFW-MRXNPFEDSA-N 2 0 312.417 2.758 20 0 DFADRP Cn1ccnc1[C@@H]1CCC[N@H+](Cc2cnn(C(C)(C)C)c2)C1 ZINC000373228544 150251056 /nfs/dbraw/zinc/25/10/56/150251056.db2.gz MIHGAODYWNDYEO-OAHLLOKOSA-N 2 0 301.438 2.751 20 0 DFADRP Cc1cncn1C1CCN(C(=O)[C@@H](C)[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000373763209 150253223 /nfs/dbraw/zinc/25/32/23/150253223.db2.gz MOFSPLTZZYZHME-IJEWVQPXSA-N 2 0 318.465 2.616 20 0 DFADRP C[C@@H](CC[NH+]1CCN([C@@H]2CCC[N@H+](C)C2)CC1)c1ccccc1 ZINC000373912654 150277297 /nfs/dbraw/zinc/27/72/97/150277297.db2.gz QMEKZUMRJYOCAL-AZUAARDMSA-N 2 0 315.505 2.892 20 0 DFADRP C[C@H]1CN(Cc2ccccc2Cl)CCN1C1CC[NH+](C)CC1 ZINC000374259313 150330884 /nfs/dbraw/zinc/33/08/84/150330884.db2.gz OUVDSHZMFKKECT-HNNXBMFYSA-N 2 0 321.896 2.940 20 0 DFADRP C[C@H](C[N@@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@H]21)c1ccccc1 ZINC000374420429 150364782 /nfs/dbraw/zinc/36/47/82/150364782.db2.gz LIKWEUJURPMMCN-QXCFHYIPSA-N 2 0 302.462 2.974 20 0 DFADRP CC[C@H](C)CCC(=O)N(CC[NH+](C)C)C[C@H]1CCC[N@@H+]1CC ZINC000351805889 286222616 /nfs/dbraw/zinc/22/26/16/286222616.db2.gz DCEIUHOCQSGYGR-DLBZAZTESA-N 2 0 311.514 2.687 20 0 DFADRP Cc1ccc([C@H](CN[C@H]2CC[N@@H+](C)C[C@H]2C)[NH+]2CCCC2)o1 ZINC000360897397 292256302 /nfs/dbraw/zinc/25/63/02/292256302.db2.gz MJRKKOJOPLBJTH-PVAVHDDUSA-N 2 0 305.466 2.655 20 0 DFADRP CCC[C@@H]([NH2+]C(C)C)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000352130393 286299649 /nfs/dbraw/zinc/29/96/49/286299649.db2.gz YYQSVNJKZZIMMI-QZTJIDSGSA-N 2 0 317.477 2.544 20 0 DFADRP CCC[C@@H]([NH2+]C(C)C)C(=O)NC[C@@H](c1ccc(F)cc1)[NH+](C)C ZINC000352157082 286307651 /nfs/dbraw/zinc/30/76/51/286307651.db2.gz RIJMRMFEAUQHTP-SJORKVTESA-N 2 0 323.456 2.711 20 0 DFADRP CCC[C@@H]([NH2+]C(C)C)C(=O)NCCCC[N@@H+]1CCC[C@H](C)C1 ZINC000352173312 286311926 /nfs/dbraw/zinc/31/19/26/286311926.db2.gz ZVXCNPPWVUXLIG-DLBZAZTESA-N 2 0 311.514 2.781 20 0 DFADRP OCC[NH+]1CCC(C[NH2+]C2CC(c3ccccc3Cl)C2)CC1 ZINC000352402768 286364699 /nfs/dbraw/zinc/36/46/99/286364699.db2.gz PJMJWNUSNAHDOD-UHFFFAOYSA-N 2 0 322.880 2.880 20 0 DFADRP CCO[C@@H]1C[C@H]([NH2+]CCCC[NH+]2C[C@@H](C)O[C@H](C)C2)C12CCC2 ZINC000245827805 286385481 /nfs/dbraw/zinc/38/54/81/286385481.db2.gz BDUDBXYGHWVGAU-ZJPYXAASSA-N 2 0 324.509 2.813 20 0 DFADRP CCO[C@@H]1C[C@H]([NH2+]CCCC[NH+]2C[C@H](C)O[C@@H](C)C2)C12CCC2 ZINC000245827796 286385589 /nfs/dbraw/zinc/38/55/89/286385589.db2.gz BDUDBXYGHWVGAU-XLAORIBOSA-N 2 0 324.509 2.813 20 0 DFADRP CCC[C@](C)([NH3+])C(=O)NCc1ccccc1C[NH+]1CCCCC1 ZINC000353090102 286548729 /nfs/dbraw/zinc/54/87/29/286548729.db2.gz RYFZSGPUYGCPDX-IBGZPJMESA-N 2 0 317.477 2.806 20 0 DFADRP CC[NH+]1CCN(CCC[NH2+][C@@H](c2ccc(F)cn2)C(C)C)CC1 ZINC000353336042 286616771 /nfs/dbraw/zinc/61/67/71/286616771.db2.gz LAXCXDFNRUPBQF-GOSISDBHSA-N 2 0 322.472 2.535 20 0 DFADRP C[C@@H]1CCC[C@H]([NH+]2CCC([NH2+][C@H](CO)CC(F)F)CC2)C1 ZINC000429461814 296745842 /nfs/dbraw/zinc/74/58/42/296745842.db2.gz MWKNIXHWXJEKSE-SNPRPXQTSA-N 2 0 304.425 2.635 20 0 DFADRP C[C@H]([NH2+]C1CCC([NH+](C)C)CC1)c1ccc2c(c1)OCCO2 ZINC000353407139 286636910 /nfs/dbraw/zinc/63/69/10/286636910.db2.gz WEVCOXDZHIXTOK-JEYLPNPQSA-N 2 0 304.434 2.981 20 0 DFADRP Cc1cnc(C[NH+]2CCC(CCC[NH+]3CCOCC3)CC2)s1 ZINC000182977059 158012827 /nfs/dbraw/zinc/01/28/27/158012827.db2.gz HASFSGSECUBGJH-UHFFFAOYSA-N 2 0 323.506 2.776 20 0 DFADRP C[C@H](NC(=O)C[NH+]1[C@H](C)CC[C@H]1C)[C@H](c1ccccc1)[NH+](C)C ZINC000353494692 286663534 /nfs/dbraw/zinc/66/35/34/286663534.db2.gz QGONJPNSAKLSKH-OAFZBRQQSA-N 2 0 317.477 2.667 20 0 DFADRP CC[C@@H](O)C[NH+]1CCN(c2c(C)c[nH+]c3c(C)cccc32)CC1 ZINC000185310354 158053251 /nfs/dbraw/zinc/05/32/51/158053251.db2.gz SKILEZHFDHLYHG-MRXNPFEDSA-N 2 0 313.445 2.745 20 0 DFADRP CC[N@H+](C)[C@@H](C(=O)N[C@H](CC(C)C)C[NH+](C)C)c1ccccc1 ZINC000246419388 158090082 /nfs/dbraw/zinc/09/00/82/158090082.db2.gz VLUVVYSMZUSMLK-QZTJIDSGSA-N 2 0 319.493 2.772 20 0 DFADRP CCOC(=O)CCCC[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000246806080 158099566 /nfs/dbraw/zinc/09/95/66/158099566.db2.gz NBVRKNDZOYINQE-DOTOQJQBSA-N 2 0 308.466 2.669 20 0 DFADRP Cc1nccn1C[C@H]1CCC[N@H+]1CC(=O)N(C)[C@H](C)CC(C)C ZINC000246884466 158104874 /nfs/dbraw/zinc/10/48/74/158104874.db2.gz DTEPEXDNXIFHLJ-NVXWUHKLSA-N 2 0 320.481 2.549 20 0 DFADRP COc1ccc(C)cc1[C@@H](C)[NH2+]CCCC[N@@H+]1CCC[C@H]1CO ZINC000247931358 158151937 /nfs/dbraw/zinc/15/19/37/158151937.db2.gz CBWAOHHNBRUWBZ-SJORKVTESA-N 2 0 320.477 2.891 20 0 DFADRP Cc1cccc(C[NH+]2CCN(CC[NH+]3CCCCC3)CC2)c1 ZINC000247932940 158152421 /nfs/dbraw/zinc/15/24/21/158152421.db2.gz RIZAEGXIVTUQOC-UHFFFAOYSA-N 2 0 301.478 2.599 20 0 DFADRP CCOc1ccc([C@@H](C)[NH2+]CCCC[N@@H+]2CCC[C@H]2CO)cc1 ZINC000248137885 158161357 /nfs/dbraw/zinc/16/13/57/158161357.db2.gz PHWCMJPQBNJVOD-AEFFLSMTSA-N 2 0 320.477 2.973 20 0 DFADRP C[NH+](C)CCCN[C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000248404523 158172567 /nfs/dbraw/zinc/17/25/67/158172567.db2.gz QHIWHKFTZVHMAI-VAMGGRTRSA-N 2 0 315.505 2.828 20 0 DFADRP COCCC[NH2+][C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000248401880 158172861 /nfs/dbraw/zinc/17/28/61/158172861.db2.gz MGILUHUJROSGMX-IPMKNSEASA-N 2 0 302.462 2.913 20 0 DFADRP C[C@H](O)CC[NH2+][C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000248406450 158173664 /nfs/dbraw/zinc/17/36/64/158173664.db2.gz SJVOZGCFDJLRJE-GDAAHCPNSA-N 2 0 302.462 2.648 20 0 DFADRP COC(C)(C)C[NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]12 ZINC000248419413 158175056 /nfs/dbraw/zinc/17/50/56/158175056.db2.gz VBDSXHNZKJDUCY-KZNAEPCWSA-N 2 0 302.462 2.912 20 0 DFADRP OCCCCC[NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]12 ZINC000248751055 158200213 /nfs/dbraw/zinc/20/02/13/158200213.db2.gz OMBFXQFRLQQCBP-GUDVDZBRSA-N 2 0 302.462 2.649 20 0 DFADRP OCCCC[NH2+][C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000248819662 158202330 /nfs/dbraw/zinc/20/23/30/158202330.db2.gz WIJMHSOQMFLVGN-GBESFXJTSA-N 2 0 302.462 2.649 20 0 DFADRP C[C@H]1CCC[C@H]([NH+]2CCC([NH2+]CCc3ccn(C)n3)CC2)C1 ZINC000355042201 158259791 /nfs/dbraw/zinc/25/97/91/158259791.db2.gz SBNMTBOMKRBGAE-YJBOKZPZSA-N 2 0 304.482 2.595 20 0 DFADRP CC(=O)NCCc1ccc([C@H](C)[NH2+]CCC[NH+]2CCCC2)cc1 ZINC000356696498 158311187 /nfs/dbraw/zinc/31/11/87/158311187.db2.gz MOXRSYQILQHZRY-INIZCTEOSA-N 2 0 317.477 2.502 20 0 DFADRP CCC[C@@H]([NH2+]C(C)C)C(=O)Nc1ccccc1CC[NH+](C)C ZINC000356873536 158319514 /nfs/dbraw/zinc/31/95/14/158319514.db2.gz RITLVRVXITZQIL-QGZVFWFLSA-N 2 0 305.466 2.896 20 0 DFADRP c1cc(C[NH+]2CCC([C@H]3CC[NH2+]C3)CC2)n(-c2ccccc2)n1 ZINC000357046127 158356258 /nfs/dbraw/zinc/35/62/58/158356258.db2.gz INOQGCCADXGNBT-KRWDZBQOSA-N 2 0 310.445 2.694 20 0 DFADRP c1cnn(-c2ccc(C[NH+]3CCC([C@@H]4CC[NH2+]C4)CC3)cc2)c1 ZINC000357043457 158356264 /nfs/dbraw/zinc/35/62/64/158356264.db2.gz GFWUUCPUYNPKHX-GOSISDBHSA-N 2 0 310.445 2.694 20 0 DFADRP c1cc(-c2n[nH]cc2C[NH+]2CCC([C@H]3CC[NH2+]C3)CC2)cs1 ZINC000357057072 158358113 /nfs/dbraw/zinc/35/81/13/158358113.db2.gz UCLNRUWCDSWFEL-AWEZNQCLSA-N 2 0 316.474 2.960 20 0 DFADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CCCc2ccccn2)[C@H](C)C1 ZINC000358291722 158369078 /nfs/dbraw/zinc/36/90/78/158369078.db2.gz GMKRUICAOXWIFO-IEBWSBKVSA-N 2 0 319.493 2.741 20 0 DFADRP C[C@@H]1C[N@H+](C)C[C@H]1NC1C[C@H]2CC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC000358390149 158376611 /nfs/dbraw/zinc/37/66/11/158376611.db2.gz XOPLJXVGRPLAQN-MNIJEXPFSA-N 2 0 313.489 2.722 20 0 DFADRP C[C@@H](C(=O)N1CCCC[C@H]([NH+]2CCCC2)C1)[NH+]1CCCCCC1 ZINC000074590434 286749704 /nfs/dbraw/zinc/74/97/04/286749704.db2.gz OYQLBGVFTPSTNL-ROUUACIJSA-N 2 0 321.509 2.728 20 0 DFADRP Cc1ccc(C)c(NC(=O)[C@@H](C)[NH+]2CCC([C@H](C)[NH3+])CC2)c1 ZINC000430919505 296812104 /nfs/dbraw/zinc/81/21/04/296812104.db2.gz QUSMUMZXLKKXDG-LSDHHAIUSA-N 2 0 303.450 2.690 20 0 DFADRP CO[C@@H]1CC[NH+](C/C=C/C[N@H+]2CC[C@H](OC)C[C@@H]2C)[C@@H](C)C1 ZINC000441341965 297180189 /nfs/dbraw/zinc/18/01/89/297180189.db2.gz QJOGINBCJSRJSX-BDADDGHKSA-N 2 0 310.482 2.541 20 0 DFADRP C[C@@H](Cc1ccc(Br)cc1)[NH2+]C[C@@H]1CCC[NH2+]C1 ZINC000132093812 196225722 /nfs/dbraw/zinc/22/57/22/196225722.db2.gz CFQPNFVOIAFCOI-GXTWGEPZSA-N 2 0 311.267 2.969 20 0 DFADRP COc1cccc([C@H](C)[NH2+]C[C@@H](C(C)C)N2CC[NH+](C)CC2)c1 ZINC000132330811 196246653 /nfs/dbraw/zinc/24/66/53/196246653.db2.gz OBIIVYYNRRLVKT-LPHOPBHVSA-N 2 0 319.493 2.618 20 0 DFADRP CCc1ccc([C@H](CN[C@@H]2CC[N@H+](C)[C@H](C)C2)[NH+](C)C)cc1 ZINC000133806945 196337221 /nfs/dbraw/zinc/33/72/21/196337221.db2.gz JJVUHZVLMHHSTC-LZQZEXGQSA-N 2 0 303.494 2.924 20 0 DFADRP FC(F)(F)COCCC[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000054317142 425890006 /nfs/dbraw/zinc/89/00/06/425890006.db2.gz RQLWEOKEKWUIIB-UHFFFAOYSA-N 2 0 308.388 2.763 20 0 DFADRP Cc1cc(C[NH+]2CCC(C[NH+]3CCOCC3)CC2)ccc1F ZINC000134097011 196360735 /nfs/dbraw/zinc/36/07/35/196360735.db2.gz UDLAMTCIDRVNKB-UHFFFAOYSA-N 2 0 306.425 2.678 20 0 DFADRP C[C@@H](CNC(=O)c1ccccc1C[NH+](C)C)C[NH+]1CCCCC1 ZINC000433302797 296905346 /nfs/dbraw/zinc/90/53/46/296905346.db2.gz JMMTVPDMAIFOGH-INIZCTEOSA-N 2 0 317.477 2.600 20 0 DFADRP CCC(CC)[N@H+](CCOC)Cc1ccnn1-c1cc[nH+]cc1 ZINC000667520736 543622118 /nfs/dbraw/zinc/62/21/18/543622118.db2.gz BMRYEPWCGVELKM-UHFFFAOYSA-N 2 0 302.422 2.904 20 0 DFADRP C[C@H](O)C[N@H+](C)C1CCN(Cc2cc3ccncc3s2)CC1 ZINC000667611699 543640825 /nfs/dbraw/zinc/64/08/25/543640825.db2.gz YSHCWZNYFYABOC-ZDUSSCGKSA-N 2 0 319.474 2.573 20 0 DFADRP c1ccc(CC[N@@H+]2CC[C@H](C[NH2+][C@H]3CO[C@H](C4CC4)C3)C2)cc1 ZINC000667835058 543688888 /nfs/dbraw/zinc/68/88/88/543688888.db2.gz HKRMOLYWKIMIKW-RLLQIKCJSA-N 2 0 314.473 2.708 20 0 DFADRP C[NH+](C)CCCOc1ccc(C[NH2+][C@H]2CO[C@@H](C3CC3)C2)cc1 ZINC000667834682 543689040 /nfs/dbraw/zinc/68/90/40/543689040.db2.gz ZMLCSQOSYKKVGJ-IEBWSBKVSA-N 2 0 318.461 2.674 20 0 DFADRP CC[N@@H+]1CC[C@@H](N(C)Cc2c(C(F)(F)F)cnn2C)[C@@H](C)C1 ZINC000667666085 543655232 /nfs/dbraw/zinc/65/52/32/543655232.db2.gz BXPHXPBNJCFXEG-WCQYABFASA-N 2 0 318.387 2.601 20 0 DFADRP CO[C@@]1(C)C[C@@H]([N@H+](C)Cc2ccnn2-c2cc[nH+]cc2)C1(C)C ZINC000667690747 543661006 /nfs/dbraw/zinc/66/10/06/543661006.db2.gz HKJHURIDQJXBAF-AEFFLSMTSA-N 2 0 314.433 2.903 20 0 DFADRP CCCC[NH+]1CCC(NC(=O)Nc2cccc(C[NH3+])c2)CC1 ZINC000667728685 543668028 /nfs/dbraw/zinc/66/80/28/543668028.db2.gz XXQXEAQIRAZWMX-UHFFFAOYSA-N 2 0 304.438 2.531 20 0 DFADRP C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)Nc1cccc(C[NH3+])c1 ZINC000667729862 543668299 /nfs/dbraw/zinc/66/82/99/543668299.db2.gz ZCSCFZKYPBHQRO-OKILXGFUSA-N 2 0 304.438 2.530 20 0 DFADRP C[C@H]1CCCC[N@@H+]1CCCCNC(=O)Nc1cccc(C[NH3+])c1 ZINC000667731272 543668722 /nfs/dbraw/zinc/66/87/22/543668722.db2.gz OWAYHPGPPJKUAQ-HNNXBMFYSA-N 2 0 318.465 2.921 20 0 DFADRP C[N@@H+]1CC[C@@H](NC(=O)Nc2cccc(C[NH3+])c2)[C@@H]1c1ccccc1 ZINC000667734967 543669779 /nfs/dbraw/zinc/66/97/79/543669779.db2.gz CUIHWKRWZVHDSP-MSOLQXFVSA-N 2 0 324.428 2.712 20 0 DFADRP C[N@@H+]1CC[C@H](NC(=O)Nc2cccc(C[NH3+])c2)[C@@H]1c1ccccc1 ZINC000667734969 543669922 /nfs/dbraw/zinc/66/99/22/543669922.db2.gz CUIHWKRWZVHDSP-ROUUACIJSA-N 2 0 324.428 2.712 20 0 DFADRP c1cc(CN2CCC[C@H](OCC3CC3)C2)n(-c2cc[nH+]cc2)n1 ZINC000668011193 543723326 /nfs/dbraw/zinc/72/33/26/543723326.db2.gz VODWSECSHQQOIO-SFHVURJKSA-N 2 0 312.417 2.658 20 0 DFADRP C[C@@H](NC(=O)C[C@@H](c1ccccc1)[NH+](C)C)C1CC[NH+](C)CC1 ZINC000667954995 543710172 /nfs/dbraw/zinc/71/01/72/543710172.db2.gz OHKIISWFTGKPAD-QAPCUYQASA-N 2 0 317.477 2.526 20 0 DFADRP CC(C)[C@H]1C[N@H+](Cc2ccnn2-c2cc[nH+]cc2)CCCO1 ZINC000668198061 543765337 /nfs/dbraw/zinc/76/53/37/543765337.db2.gz DHSLXRSCGMSGAB-QGZVFWFLSA-N 2 0 300.406 2.514 20 0 DFADRP CN(Cc1cnc2n1CCC2)[C@@H](CO)c1ccc(Cl)cc1 ZINC000668211050 543767912 /nfs/dbraw/zinc/76/79/12/543767912.db2.gz VBIASYPJIMQMGG-HNNXBMFYSA-N 2 0 305.809 2.648 20 0 DFADRP C[C@H]1CSC[C@H]1[NH2+]CC1CC[NH+](Cc2ccncc2)CC1 ZINC000668512830 543816824 /nfs/dbraw/zinc/81/68/24/543816824.db2.gz QHXYQVAKZFYNAR-WMLDXEAASA-N 2 0 305.491 2.635 20 0 DFADRP C[C@H]1CSC[C@@H]1[NH2+]CC1CC[NH+](Cc2ccncc2)CC1 ZINC000668512832 543816861 /nfs/dbraw/zinc/81/68/61/543816861.db2.gz QHXYQVAKZFYNAR-YOEHRIQHSA-N 2 0 305.491 2.635 20 0 DFADRP CC[C@H](COCC1CC1)[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000668458999 543809300 /nfs/dbraw/zinc/80/93/00/543809300.db2.gz OBZQFOGGJOSICJ-MRXNPFEDSA-N 2 0 303.450 2.845 20 0 DFADRP C[C@@H](CN(C)CCC[NH+](C)C)[NH2+]C[C@H]1C[C@@H]1c1ccccc1 ZINC000668474552 543812596 /nfs/dbraw/zinc/81/25/96/543812596.db2.gz CIPJVTDCHPZZIH-QXAKKESOSA-N 2 0 303.494 2.652 20 0 DFADRP c1ccc(C[N@H+]2C[C@H](C[NH2+]C3CSC3)C3(CCC3)C2)cc1 ZINC000668713311 543851537 /nfs/dbraw/zinc/85/15/37/543851537.db2.gz MKJVPGWXINGLOF-INIZCTEOSA-N 2 0 302.487 2.994 20 0 DFADRP C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1[NH2+][C@H]1CC[C@@H](CO)C1 ZINC000296633596 226069341 /nfs/dbraw/zinc/06/93/41/226069341.db2.gz XOOHZTSLWBLWQZ-YSHGAJCASA-N 2 0 302.462 2.648 20 0 DFADRP C[C@@H]1CCC[C@@H](C[NH+]2CCN(C[C@H]3CCCC[N@@H+]3C)CC2)C1 ZINC000245643161 287394944 /nfs/dbraw/zinc/39/49/44/287394944.db2.gz ZGAPTDHKWBDIKK-GUDVDZBRSA-N 2 0 307.526 2.915 20 0 DFADRP C[C@@H]([NH2+]CCCC[NH+]1CCOCC1)[C@@H]1C[C@H]1c1cccs1 ZINC000669417487 543943512 /nfs/dbraw/zinc/94/35/12/543943512.db2.gz MVFUOZVYVRKXON-OWCLPIDISA-N 2 0 308.491 2.942 20 0 DFADRP CC(C)[NH+]1CCN(CCC[N@@H+]2CC[C@@H]2c2cccc(F)c2)CC1 ZINC000669690443 543983762 /nfs/dbraw/zinc/98/37/62/543983762.db2.gz PNKUROAXRLZGNO-LJQANCHMSA-N 2 0 319.468 2.989 20 0 DFADRP CC[NH+](CC)CCO[C@H]1CC[N@H+](Cc2cccc(OC)c2F)C1 ZINC000669709080 543986992 /nfs/dbraw/zinc/98/69/92/543986992.db2.gz VCWHCBAZCGYUNK-INIZCTEOSA-N 2 0 324.440 2.767 20 0 DFADRP C[C@H](CCCCO)[NH2+]Cc1ccc(OC2CC[NH+](C)CC2)cc1 ZINC000671302458 544066348 /nfs/dbraw/zinc/06/63/48/544066348.db2.gz AFDDRYNKVZVARF-MRXNPFEDSA-N 2 0 320.477 2.800 20 0 DFADRP C[NH+](C)CCOc1ccc(C[N@@H+]2CCCCC[C@H]2CCO)cc1 ZINC000671309514 544067304 /nfs/dbraw/zinc/06/73/04/544067304.db2.gz NLOUUPWGPDKQKA-SFHVURJKSA-N 2 0 320.477 2.754 20 0 DFADRP C[NH+](C)CCOc1ccc(C[N@@H+]2CCCCC[C@@H]2CCO)cc1 ZINC000671309513 544067340 /nfs/dbraw/zinc/06/73/40/544067340.db2.gz NLOUUPWGPDKQKA-GOSISDBHSA-N 2 0 320.477 2.754 20 0 DFADRP c1ccc(C[N@@H+]2CC[C@]3(CC[NH+]([C@@H]4CCCOC4)C3)C2)cc1 ZINC000671723616 544101885 /nfs/dbraw/zinc/10/18/85/544101885.db2.gz PATLCQQXLIKGTR-MOPGFXCFSA-N 2 0 300.446 2.763 20 0 DFADRP CC(=O)N1CC[C@H]([NH2+]C2CCC([NH+](C)C)CC2)c2ccccc21 ZINC000671754248 544107247 /nfs/dbraw/zinc/10/72/47/544107247.db2.gz MMKIJPCAHRWAPD-HTWSVDAQSA-N 2 0 315.461 2.947 20 0 DFADRP CCC[NH+]1CCC([NH2+]C[C@@H](CO)c2ccc(Cl)cc2)CC1 ZINC000672621214 544144102 /nfs/dbraw/zinc/14/41/02/544144102.db2.gz XTHMCXIIOTYTOK-HNNXBMFYSA-N 2 0 310.869 2.880 20 0 DFADRP C[C@@H]1C[C@@H](C)C[NH+](CCCC[NH2+]Cc2c[nH]c3nccnc23)C1 ZINC000290911541 222015494 /nfs/dbraw/zinc/01/54/94/222015494.db2.gz PJYGIDJNZCOMMX-HUUCEWRRSA-N 2 0 315.465 2.806 20 0 DFADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]C[C@@H]1CCN(c2ccccc2F)C1 ZINC000291133510 222162464 /nfs/dbraw/zinc/16/24/64/222162464.db2.gz HAUWVMBMBIXFBG-CBZIJGRNSA-N 2 0 319.468 2.970 20 0 DFADRP C[C@H]([NH2+][C@@H]1CCc2nc(C(C)(C)C)cn2C1)C1CC[NH+](C)CC1 ZINC000675797156 544337089 /nfs/dbraw/zinc/33/70/89/544337089.db2.gz JICPUBOAWLLANE-GOEBONIOSA-N 2 0 318.509 2.815 20 0 DFADRP C[NH+](C)CCOc1ccc(C[NH2+][C@H]2CCCc3cn[nH]c32)cc1 ZINC000675766402 544334308 /nfs/dbraw/zinc/33/43/08/544334308.db2.gz KRKSMCXUWHEZAO-KRWDZBQOSA-N 2 0 314.433 2.517 20 0 DFADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]C[C@@H](C)c2ccncc2)[C@H](C)C1 ZINC000675926271 544344993 /nfs/dbraw/zinc/34/49/93/544344993.db2.gz APAMHFOELKMEBE-LMMKCTJWSA-N 2 0 319.493 2.912 20 0 DFADRP CC[N@@H+]1CC[C@H](N(C)Cc2cc(C(F)(F)F)n[nH]2)C[C@H]1C ZINC000442886843 297209636 /nfs/dbraw/zinc/20/96/36/297209636.db2.gz UURYXDUCVVHQRL-PWSUYJOCSA-N 2 0 304.360 2.733 20 0 DFADRP C[C@@H]([NH2+][C@H]1CCN(C2CC[NH+](C)CC2)C1)C1C(C)(C)C1(C)C ZINC000676560259 544385797 /nfs/dbraw/zinc/38/57/97/544385797.db2.gz KYOCIHJYJAEURP-CABCVRRESA-N 2 0 307.526 2.815 20 0 DFADRP Cc1nc([C@H](C)[NH2+][C@@H]2CCN(C3CC[NH+](C)CC3)C2)c(C)s1 ZINC000676489004 544379319 /nfs/dbraw/zinc/37/93/19/544379319.db2.gz GUSVFLPHEAMKQT-SWLSCSKDSA-N 2 0 322.522 2.579 20 0 DFADRP COc1ccc2[nH]cc(CC[NH2+][C@H]3CC[N@@H+]4CCC[C@@H]4C3)c2c1 ZINC000677240794 544456661 /nfs/dbraw/zinc/45/66/61/544456661.db2.gz KXWINPCEGKKETG-JKSUJKDBSA-N 2 0 313.445 2.935 20 0 DFADRP C[N@@H+]1CCCN(CCC[NH2+][C@H]2CCc3c2cc(F)cc3F)CC1 ZINC000677132413 544439368 /nfs/dbraw/zinc/43/93/68/544439368.db2.gz YIWHJVFKXGHARE-SFHVURJKSA-N 2 0 323.431 2.569 20 0 DFADRP CC[NH+](CC)Cc1ccc(C(=O)N2CC[N@H+](CC)[C@H](C)C2)cc1 ZINC000677173454 544446713 /nfs/dbraw/zinc/44/67/13/544446713.db2.gz HTJGUIFJZRELKU-MRXNPFEDSA-N 2 0 317.477 2.695 20 0 DFADRP C[C@@H]1C[C@H](C)CN(CC[NH2+][C@@H]2[C@@H]3CCO[C@H]3C23CCCC3)C1 ZINC000677645763 544515194 /nfs/dbraw/zinc/51/51/94/544515194.db2.gz MAKSMFOVEFNTEP-IGKNDFSCSA-N 2 0 306.494 2.902 20 0 DFADRP Cc1nccn1CC[N@H+]1CCN(Cc2ccccc2)CC[C@H]1C ZINC000677985201 544576161 /nfs/dbraw/zinc/57/61/61/544576161.db2.gz VTICFALGAYBGRW-QGZVFWFLSA-N 2 0 312.461 2.788 20 0 DFADRP CCCn1cc(C[N@@H+]2CC[C@H](CNc3cc(C)cc[nH+]3)C2)cn1 ZINC000678232920 544625830 /nfs/dbraw/zinc/62/58/30/544625830.db2.gz PUFWJDMNTJLZKG-MRXNPFEDSA-N 2 0 313.449 2.931 20 0 DFADRP C[C@H]1C[N@H+](Cc2ccc(OCC[NH+]3CCCC3)cc2)CCCO1 ZINC000678239020 544627684 /nfs/dbraw/zinc/62/76/84/544627684.db2.gz UMFLAGAJFLHABP-KRWDZBQOSA-N 2 0 318.461 2.772 20 0 DFADRP C[C@H]1CCC[N@H+](Cc2ccc(NC(=O)[C@H]3CCC[NH+]3C)cc2)C1 ZINC000299501323 229158310 /nfs/dbraw/zinc/15/83/10/229158310.db2.gz IARNRNRNMPHNOI-MAUKXSAKSA-N 2 0 315.461 2.951 20 0 DFADRP C[C@H]1CCc2ccccc2[C@H]1[NH2+]CCCC[NH+]1CCN(C)CC1 ZINC000678765870 544717156 /nfs/dbraw/zinc/71/71/56/544717156.db2.gz HLEOJKAXZKHESS-PXNSSMCTSA-N 2 0 315.505 2.927 20 0 DFADRP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@@H]1c2ccccc2CC[C@H]1C ZINC000678769420 544718059 /nfs/dbraw/zinc/71/80/59/544718059.db2.gz URCRCKOCLVKXDY-MDZRGWNJSA-N 2 0 301.478 2.536 20 0 DFADRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H]2CCC(F)(F)C2)[C@@H](C)C1 ZINC000679072873 544779839 /nfs/dbraw/zinc/77/98/39/544779839.db2.gz DTHNAJXUFFPCCR-ZNMIVQPWSA-N 2 0 304.425 2.901 20 0 DFADRP Cc1ccc2c(c1)[C@H]([NH2+]CC(C)(C)N1CC[NH+](C)CC1)[C@@H](C)C2 ZINC000679332565 544836583 /nfs/dbraw/zinc/83/65/83/544836583.db2.gz WURPUZMULIDXBV-QFBILLFUSA-N 2 0 315.505 2.844 20 0 DFADRP CC1(C)[C@@H](O)C[C@@H]1[NH2+]Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000679375399 544844525 /nfs/dbraw/zinc/84/45/25/544844525.db2.gz ZOOILHVOWDOXPF-ROUUACIJSA-N 2 0 302.462 2.922 20 0 DFADRP CN(CCC(=O)Nc1ccccc1C[NH+](C)C)c1cc[nH+]cc1 ZINC000679408070 544851448 /nfs/dbraw/zinc/85/14/48/544851448.db2.gz YVRNOUJIJDSZIE-UHFFFAOYSA-N 2 0 312.417 2.608 20 0 DFADRP c1ccc(C[NH+]2CCC(OCCC[NH2+]C3CSC3)CC2)cc1 ZINC000679627769 544884563 /nfs/dbraw/zinc/88/45/63/544884563.db2.gz XLRXKCXZHREJIO-UHFFFAOYSA-N 2 0 320.502 2.763 20 0 DFADRP C[C@@H](C(=O)Nc1cccc(F)c1)[NH+]1CCC(CC[NH+](C)C)CC1 ZINC000056522462 425895545 /nfs/dbraw/zinc/89/55/45/425895545.db2.gz FGEYSODOIAIMBX-AWEZNQCLSA-N 2 0 321.440 2.816 20 0 DFADRP CC[C@H]([NH2+]C[C@H](C)N1CC[NH+](CC)CC1)c1cccc(OC)c1 ZINC000155594339 425921652 /nfs/dbraw/zinc/92/16/52/425921652.db2.gz JJGOPLUYGGKMIP-LPHOPBHVSA-N 2 0 319.493 2.762 20 0 DFADRP Cc1ccccc1[C@@H](C)[NH2+]CC1CC[NH+](CCN(C)C)CC1 ZINC000124484766 425921682 /nfs/dbraw/zinc/92/16/82/425921682.db2.gz CHSODLUZZSYFOI-QGZVFWFLSA-N 2 0 303.494 2.919 20 0 DFADRP C[NH+]1CCN(CCC[NH2+]Cc2ccc(-c3ccccc3)o2)CC1 ZINC000102542363 425922456 /nfs/dbraw/zinc/92/24/56/425922456.db2.gz IKTRIEPEMVPWAV-UHFFFAOYSA-N 2 0 313.445 2.674 20 0 DFADRP CC[NH+]1CCN([C@H](C)C[NH2+][C@H](C)c2cc(C)ccc2OC)CC1 ZINC000155638866 425923178 /nfs/dbraw/zinc/92/31/78/425923178.db2.gz SPVUDEIHAQMUCA-IAGOWNOFSA-N 2 0 319.493 2.680 20 0 DFADRP Cc1ccc([C@H](C)[NH2+]CC2CC[NH+](CCN(C)C)CC2)cc1 ZINC000124524822 425924047 /nfs/dbraw/zinc/92/40/47/425924047.db2.gz UKHHGGMHBWRZKR-KRWDZBQOSA-N 2 0 303.494 2.919 20 0 DFADRP CCC[N@@H+]1CCC[C@@H]1C(=O)Nc1ccc(CC[NH+](C)C)cc1 ZINC000102757563 425926837 /nfs/dbraw/zinc/92/68/37/425926837.db2.gz NBVMRXFQADESPX-QGZVFWFLSA-N 2 0 303.450 2.604 20 0 DFADRP CC[C@H](COC)[NH2+]Cc1ccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000124648448 425931406 /nfs/dbraw/zinc/93/14/06/425931406.db2.gz LLCQEDOUWBBZPP-JTDSTZFVSA-N 2 0 320.477 2.810 20 0 DFADRP C[C@H]1CCCC[N@@H+]1CCC1CC[NH+](CCC2OCCO2)CC1 ZINC000124682506 425933495 /nfs/dbraw/zinc/93/34/95/425933495.db2.gz HVDPCKJABJUGSU-INIZCTEOSA-N 2 0 310.482 2.726 20 0 DFADRP Cc1ccccc1CCC[NH+]1CCC(C[NH+]2CCOCC2)CC1 ZINC000084677071 267444319 /nfs/dbraw/zinc/44/43/19/267444319.db2.gz RFWIMVSPZMUVAV-UHFFFAOYSA-N 2 0 316.489 2.972 20 0 DFADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)Nc1ccc(F)cc1 ZINC000046438957 425864849 /nfs/dbraw/zinc/86/48/49/425864849.db2.gz LDLCMPAPYXTWRG-UHFFFAOYSA-N 2 0 324.444 2.563 20 0 DFADRP C[C@@H]([NH2+]CCCN1CC[NH+](C)CC1)c1ccc(F)cc1Cl ZINC000037229183 425847407 /nfs/dbraw/zinc/84/74/07/425847407.db2.gz XMYCUBTWJGZZSX-CYBMUJFWSA-N 2 0 313.848 2.767 20 0 DFADRP C[NH+]1CCN(C(C)(C)C[NH2+]Cc2ccc(Cl)c(F)c2)CC1 ZINC000043388614 425854784 /nfs/dbraw/zinc/85/47/84/425854784.db2.gz PTLFSQYGRNVEJJ-UHFFFAOYSA-N 2 0 313.848 2.595 20 0 DFADRP C[C@H]([NH2+]CCCN1CC[NH+](C)CC1)C12CC3CC(CC(C3)C1)C2 ZINC000192924129 268054162 /nfs/dbraw/zinc/05/41/62/268054162.db2.gz MGERDCOWMLIUOR-KUNTWMTDSA-N 2 0 319.537 2.818 20 0 DFADRP CCCOc1ccc([C@@H](C)[NH2+]CCCN2CC[NH+](C)CC2)cc1 ZINC000192924286 268054314 /nfs/dbraw/zinc/05/43/14/268054314.db2.gz JCDAMEHYSOSMHC-QGZVFWFLSA-N 2 0 319.493 2.764 20 0 DFADRP CC[NH+]1CCN([C@@H](C)C[NH2+]Cc2sccc2Cl)CC1 ZINC000193004883 268057036 /nfs/dbraw/zinc/05/70/36/268057036.db2.gz RTYCQXJCDICVKJ-LBPRGKRZSA-N 2 0 301.887 2.517 20 0 DFADRP CCC[N@@H+]1CC[C@H](C[NH2+]CCCc2ccc3c(c2)CCO3)C1 ZINC000193275664 268063400 /nfs/dbraw/zinc/06/34/00/268063400.db2.gz BDRPFNGYPXQIQH-QGZVFWFLSA-N 2 0 302.462 2.876 20 0 DFADRP CC[C@@H](C)NC(=O)[C@H](C)[NH2+]Cc1cccc(C[NH+](CC)CC)c1 ZINC000194047559 268088970 /nfs/dbraw/zinc/08/89/70/268088970.db2.gz ATUAIUSARGAFPG-CVEARBPZSA-N 2 0 319.493 2.921 20 0 DFADRP CSc1ccccc1[C@@H](C)[NH2+]CCCN1CC[NH+](C)CC1 ZINC000194837177 268118645 /nfs/dbraw/zinc/11/86/45/268118645.db2.gz CUVSGGXVTRIXMR-OAHLLOKOSA-N 2 0 307.507 2.697 20 0 DFADRP C[NH+](C)CCCC[NH2+][C@H]1CCC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000222995159 268141182 /nfs/dbraw/zinc/14/11/82/268141182.db2.gz SGSZASOMRNYPML-LSDHHAIUSA-N 2 0 313.486 2.754 20 0 DFADRP CCCN(C(=O)[C@@H]([NH3+])CC)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000236744829 268149288 /nfs/dbraw/zinc/14/92/88/268149288.db2.gz CLEAVZRENVQVSR-MSOLQXFVSA-N 2 0 317.477 2.627 20 0 DFADRP CCC[C@H]([NH3+])C(=O)N(CC)[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000236793412 268150230 /nfs/dbraw/zinc/15/02/30/268150230.db2.gz PGJYWKZIXBKHMJ-JQHSSLGASA-N 2 0 317.477 2.798 20 0 DFADRP [NH3+][C@@H]1CCCCCC[C@H]1C(=O)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000237887264 268161632 /nfs/dbraw/zinc/16/16/32/268161632.db2.gz MLBLPZSGNKCMJA-RCCFBDPRSA-N 2 0 321.509 2.619 20 0 DFADRP CC(C)Oc1ccc([C@H](O)C[NH2+][C@@H]2C[C@@H](C)[N@H+](C)C[C@H]2C)cc1 ZINC000268881829 268185700 /nfs/dbraw/zinc/18/57/00/268185700.db2.gz IDJYBVONURPHSR-OHDICMOHSA-N 2 0 320.477 2.826 20 0 DFADRP COc1cccc(N2CC[C@H]([NH2+][C@@H]3C[C@H](C)[N@H+](C)C[C@@H]3C)C2)c1 ZINC000268867558 268186434 /nfs/dbraw/zinc/18/64/34/268186434.db2.gz TUYLKPJCRZLQJU-IUVQAAGXSA-N 2 0 317.477 2.592 20 0 DFADRP CC(C)Oc1ccc([C@H](O)C[NH2+][C@@H]2C[C@@H](C)[N@H+](C)C[C@@H]2C)cc1 ZINC000268881831 268186460 /nfs/dbraw/zinc/18/64/60/268186460.db2.gz IDJYBVONURPHSR-OSGQAZFXSA-N 2 0 320.477 2.826 20 0 DFADRP O[C@@H]1CCC[C@H]1[NH+]1CCC([NH2+][C@@H]2CCc3c2cccc3F)CC1 ZINC000271447711 268249830 /nfs/dbraw/zinc/24/98/30/268249830.db2.gz DDIFXZJTZPVZDY-GUDVDZBRSA-N 2 0 318.436 2.780 20 0 DFADRP C[NH+]1CCC(O)(C[NH2+][C@@H]2CC[C@](C)(c3ccccc3)C2)CC1 ZINC000275924890 268260561 /nfs/dbraw/zinc/26/05/61/268260561.db2.gz WOVOBJFDARIDQQ-MSOLQXFVSA-N 2 0 302.462 2.543 20 0 DFADRP CC[C@H](C[NH2+][C@H]1C[C@H](C)N(C2CC2)C1)NC(=O)OC(C)(C)C ZINC000300227992 268321474 /nfs/dbraw/zinc/32/14/74/268321474.db2.gz ZYNBLFMZPZTJCO-MJBXVCDLSA-N 2 0 311.470 2.505 20 0 DFADRP Cc1cccc2c(N3CC[N@H+](CC(C)(C)O)[C@H](C)C3)cc[nH+]c12 ZINC000302523825 268324496 /nfs/dbraw/zinc/32/44/96/268324496.db2.gz YXZVOZQPTSMABI-OAHLLOKOSA-N 2 0 313.445 2.825 20 0 DFADRP C[C@@H]1CN(C)CC[C@H]1[NH2+][C@@H]1CCCN(Cc2ccccc2)C1 ZINC000309775015 268336024 /nfs/dbraw/zinc/33/60/24/268336024.db2.gz YVIFQKRBUWFQDI-BHIYHBOVSA-N 2 0 301.478 2.581 20 0 DFADRP CC(C)[N@@H+]1CC[C@H](C[NH2+]CC(C)(C)NC(=O)OC(C)(C)C)C1 ZINC000310005994 268337447 /nfs/dbraw/zinc/33/74/47/268337447.db2.gz HQBTVLNTTJLQBI-CQSZACIVSA-N 2 0 313.486 2.610 20 0 DFADRP C[C@H]1C[N@H+](C)CC[C@H]1[NH2+]CCc1cccc(Br)c1 ZINC000313696322 268340592 /nfs/dbraw/zinc/34/05/92/268340592.db2.gz IJWCNTCQSSYWKH-SWLSCSKDSA-N 2 0 311.267 2.921 20 0 DFADRP CC[NH+]1CCC(C[NH2+][C@@H](C)c2nc3ccccc3n2C)CC1 ZINC000315039973 268342287 /nfs/dbraw/zinc/34/22/87/268342287.db2.gz XZXQJIXGYIHPFV-AWEZNQCLSA-N 2 0 300.450 2.956 20 0 DFADRP Cc1ccc(-c2noc(C[NH+]3CCC([C@H](C)[NH3+])CC3)n2)cc1 ZINC000316034749 268344537 /nfs/dbraw/zinc/34/45/37/268344537.db2.gz MGRVQEZXOOPZFJ-ZDUSSCGKSA-N 2 0 300.406 2.604 20 0 DFADRP CCOC(=O)N1CCC([NH2+][C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)CC1 ZINC000321487185 268348439 /nfs/dbraw/zinc/34/84/39/268348439.db2.gz XYFXGBPCZPOPDN-BRWVUGGUSA-N 2 0 323.481 2.508 20 0 DFADRP Cc1nn2c(C[NH2+][C@@H]3CCC[C@@H]([NH3+])C3)c(C(C)C)nc2s1 ZINC000333103256 268374794 /nfs/dbraw/zinc/37/47/94/268374794.db2.gz FDSUABQHXHCUSJ-VXGBXAGGSA-N 2 0 307.467 2.582 20 0 DFADRP CCc1noc(C2CCC([NH2+][C@H]3CCCC[C@H]3C[NH3+])CC2)n1 ZINC000333145260 268377748 /nfs/dbraw/zinc/37/77/48/268377748.db2.gz LRJLYJHDIDQQFX-SHWKFHJASA-N 2 0 306.454 2.765 20 0 DFADRP CCc1noc(C2CCC([NH2+]C[C@]3(C)CCC[NH2+]C3)CC2)n1 ZINC000333183241 268380813 /nfs/dbraw/zinc/38/08/13/268380813.db2.gz QDWMSVZEOMDHMB-MQBCKMQZSA-N 2 0 306.454 2.638 20 0 DFADRP CC(C)c1nnc2n1C[C@H]([NH2+][C@H](C)C[C@@H]1CCCCC[NH2+]1)CC2 ZINC000333231026 268384523 /nfs/dbraw/zinc/38/45/23/268384523.db2.gz BZJMITBGEDXERI-OWCLPIDISA-N 2 0 319.497 2.617 20 0 DFADRP Cc1cc(C[NH3+])cc(NC(=O)N2CCCC23CC[NH+](C)CC3)c1 ZINC000333355091 268393060 /nfs/dbraw/zinc/39/30/60/268393060.db2.gz BWWIPEAAAAFBBI-UHFFFAOYSA-N 2 0 316.449 2.546 20 0 DFADRP C[C@@H](C(=O)N1CCCC[C@H]([NH+]2CCCC2)C1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000107779220 426003307 /nfs/dbraw/zinc/00/33/07/426003307.db2.gz WQOLYSDJUSMTCE-MHORFTMASA-N 2 0 321.509 2.725 20 0 DFADRP c1ccc([C@@H]2OCC[C@H]2[NH2+]C2CC[NH+](CC3CC3)CC2)cc1 ZINC000157720425 425939578 /nfs/dbraw/zinc/93/95/78/425939578.db2.gz ZQQVWEMWSLORTR-MOPGFXCFSA-N 2 0 300.446 2.981 20 0 DFADRP C1C[C@@H]2C[C@H]([NH2+][C@@H]3CCOC4(CCSCC4)C3)CC[N@@H+]2C1 ZINC000158070810 425941419 /nfs/dbraw/zinc/94/14/19/425941419.db2.gz HTSVJADNNBVBQV-BZUAXINKSA-N 2 0 310.507 2.648 20 0 DFADRP CC(C)(C)OC(=O)CC[N@@H+]1CC[C@@H](CNc2ccccn2)C1 ZINC000103473590 425949342 /nfs/dbraw/zinc/94/93/42/425949342.db2.gz NTSPVLREEVSNEN-AWEZNQCLSA-N 2 0 305.422 2.547 20 0 DFADRP CCN(CC)C(=O)C[NH+]1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000158945438 425951144 /nfs/dbraw/zinc/95/11/44/425951144.db2.gz YGVNVDSAUXVCAG-QGZVFWFLSA-N 2 0 323.525 2.831 20 0 DFADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@@H](C)Oc2cccc(OC)c2)[C@H](C)C1 ZINC000125078578 425952255 /nfs/dbraw/zinc/95/22/55/425952255.db2.gz OUZXXSNKXXTTBD-RKVPGOIHSA-N 2 0 306.450 2.782 20 0 DFADRP CC(C)[N@H+](CC(=O)NC[C@H](c1ccccc1)[NH+](C)C)C1CCC1 ZINC000159204914 425956840 /nfs/dbraw/zinc/95/68/40/425956840.db2.gz OYSGKSCGAOYRJY-GOSISDBHSA-N 2 0 317.477 2.668 20 0 DFADRP CC[NH+]1CCC(N(C)Cc2c[nH]nc2-c2ccc(C)o2)CC1 ZINC000125209883 425958581 /nfs/dbraw/zinc/95/85/81/425958581.db2.gz PKNZXCYCLIBMSY-UHFFFAOYSA-N 2 0 302.422 2.894 20 0 DFADRP C[C@H](C(=O)N1CCC([N@@H+]2CCC[C@@H]2C)CC1)[NH+]1CCCCCC1 ZINC000125280576 425963829 /nfs/dbraw/zinc/96/38/29/425963829.db2.gz SICQIBCDVWHQNC-DLBZAZTESA-N 2 0 321.509 2.726 20 0 DFADRP C[C@@H]([NH3+])[C@@H]1CCC[N@H+](CCC(=O)Nc2cccc(Cl)c2)C1 ZINC000070174486 425968472 /nfs/dbraw/zinc/96/84/72/425968472.db2.gz YRIHCGOCFSUHCK-CHWSQXEVSA-N 2 0 309.841 2.728 20 0 DFADRP [NH3+]CC[C@@H]1CCC[N@H+](Cc2cc(Cl)c3c(c2)OCCO3)C1 ZINC000070170771 425968994 /nfs/dbraw/zinc/96/89/94/425968994.db2.gz QQUIZBHUSVFKFK-LBPRGKRZSA-N 2 0 310.825 2.672 20 0 DFADRP CC(C)[NH+]1CCC(C(=O)NCC(C)(C)[N@@H+]2CCC[C@@H](C)C2)CC1 ZINC000073035852 426022672 /nfs/dbraw/zinc/02/26/72/426022672.db2.gz QCWHHNHOLMPYEJ-MRXNPFEDSA-N 2 0 323.525 2.734 20 0 DFADRP NC(=O)[C@@H]([NH2+]CCCCC[NH+]1CCCCC1)c1ccc(F)cc1 ZINC000111374840 426048181 /nfs/dbraw/zinc/04/81/81/426048181.db2.gz FFPRLAPRHWQGFM-KRWDZBQOSA-N 2 0 321.440 2.598 20 0 DFADRP CN(CC[N@H+](C)CCc1ccccc1Cl)C1CC[NH+](C)CC1 ZINC000126447165 426020047 /nfs/dbraw/zinc/02/00/47/426020047.db2.gz NJUIOERXBPCWBS-UHFFFAOYSA-N 2 0 323.912 2.840 20 0 DFADRP C[C@H]1C[N@H+](C)CC[C@@H]1[NH2+]CCNc1ncc(Cl)cc1Cl ZINC000163115007 426090430 /nfs/dbraw/zinc/09/04/30/426090430.db2.gz FSGVGMCQEUXAHH-GWCFXTLKSA-N 2 0 317.264 2.730 20 0 DFADRP C[C@H]([NH3+])[C@@H]1CCN(Cc2cc(Br)ccc2F)C1 ZINC000163207426 426092615 /nfs/dbraw/zinc/09/26/15/426092615.db2.gz KMXHFMFJOCAUNS-VHSXEESVSA-N 2 0 301.203 2.757 20 0 DFADRP COc1cc(OC)cc([C@H]2CC[N@H+](CC[C@H]3CCC[NH+]3C)C2)c1 ZINC000163237405 426094421 /nfs/dbraw/zinc/09/44/21/426094421.db2.gz AFKLBBUEGZNNHL-DOTOQJQBSA-N 2 0 318.461 2.977 20 0 DFADRP CC[N@@H+]1CC[C@@H](C[NH2+][C@@H](C)c2ccc(N3CCCC3=O)cc2)C1 ZINC000163296488 426096409 /nfs/dbraw/zinc/09/64/09/426096409.db2.gz NSEHILAPXJJMRU-HOTGVXAUSA-N 2 0 315.461 2.806 20 0 DFADRP C[N@H+](Cc1ccccc1NC(=O)[C@@H]1CC[NH2+]C1)C1CCCCC1 ZINC000163459479 426099741 /nfs/dbraw/zinc/09/97/41/426099741.db2.gz MLSOLUYQIJSDBL-OAHLLOKOSA-N 2 0 315.461 2.999 20 0 DFADRP COCCN1CCC[C@H]1C[NH2+][C@@H]1c2cc(F)ccc2C[C@H]1C ZINC000163458875 426100619 /nfs/dbraw/zinc/10/06/19/426100619.db2.gz WBYOPRVUVVYGKE-SKDZVZGDSA-N 2 0 306.425 2.759 20 0 DFADRP Cc1cccc(NC[C@H]2CC[NH+](CC[C@@H]3CCC[N@H+]3C)C2)n1 ZINC000163461769 426100805 /nfs/dbraw/zinc/10/08/05/426100805.db2.gz AXDYKRBAGZXKHG-SJORKVTESA-N 2 0 302.466 2.608 20 0 DFADRP C[C@@H]([NH2+]CCC[N@@H+]1CCC[C@H](C(N)=O)C1)c1ccc(Cl)cc1 ZINC000128156710 426104314 /nfs/dbraw/zinc/10/43/14/426104314.db2.gz LSGVYNFVYCPRRO-HIFRSBDPSA-N 2 0 323.868 2.578 20 0 DFADRP CC[C@H]1CCCC[N@@H+]1CCNC(=O)c1ccc(C[NH+](C)C)cc1 ZINC000113198568 426106048 /nfs/dbraw/zinc/10/60/48/426106048.db2.gz SJBHVVPRAGFABJ-SFHVURJKSA-N 2 0 317.477 2.743 20 0 DFADRP CC[C@@H]([NH2+]CCC[N@@H+]1CCC[C@H](C(N)=O)C1)C1CCCCC1 ZINC000128208858 426106338 /nfs/dbraw/zinc/10/63/38/426106338.db2.gz NNPJNPDBFDQSTG-DLBZAZTESA-N 2 0 309.498 2.522 20 0 DFADRP CCc1ccc([C@@H](C)[NH2+]CCC[N@@H+]2CCC[C@H](C(N)=O)C2)s1 ZINC000128207668 426106464 /nfs/dbraw/zinc/10/64/64/426106464.db2.gz IACURVPHXYZXBY-KGLIPLIRSA-N 2 0 323.506 2.549 20 0 DFADRP C[NH2+]C[C@H](C)C(=O)NCc1ccccc1C[N@@H+]1CCCC[C@@H]1C ZINC000164591539 426115848 /nfs/dbraw/zinc/11/58/48/426115848.db2.gz SIOOCALZYRIRRB-HOTGVXAUSA-N 2 0 317.477 2.533 20 0 DFADRP C[C@H]1CCC[N@H+](Cc2ccc(NC(=O)[C@H]3CCCC[NH2+]3)cc2)C1 ZINC000164571599 426116110 /nfs/dbraw/zinc/11/61/10/426116110.db2.gz BBYCLUNQXBPGKC-MAUKXSAKSA-N 2 0 315.461 2.999 20 0 DFADRP Cc1ccc([C@H](C)[NH2+]CCCN2CCC[N@H+](C)CC2)c(C)c1 ZINC000128498526 426119794 /nfs/dbraw/zinc/11/97/94/426119794.db2.gz DOQJAPVHZNBIEL-SFHVURJKSA-N 2 0 303.494 2.982 20 0 DFADRP C[C@H](C[NH2+][C@@H](C)c1ccc([S@](C)=O)cc1)C[NH+]1CCCC1 ZINC000165315008 426121645 /nfs/dbraw/zinc/12/16/45/426121645.db2.gz NQKGOMCZVJBRLD-LRAJWGHMSA-N 2 0 308.491 2.807 20 0 DFADRP CCO[C@@H](CC[NH+](C)C)C[NH2+][C@H](C)c1ccc(OC)c(F)c1 ZINC000165968348 426124914 /nfs/dbraw/zinc/12/49/14/426124914.db2.gz KEVYACBVXFBXDU-HIFRSBDPSA-N 2 0 312.429 2.842 20 0 DFADRP CCC(CC)C(=O)N1CCC([NH2+][C@@H]2C[C@@H](C)[N@H+](C)C[C@@H]2C)CC1 ZINC000166057849 426125496 /nfs/dbraw/zinc/12/54/96/426125496.db2.gz JRFDZEOIIHPICE-HDMKZQKVSA-N 2 0 323.525 2.732 20 0 DFADRP CC(C)[NH+]1CCC(NC(=O)C[N@H+](C)[C@@H](C)c2ccccc2)CC1 ZINC000114453925 426136017 /nfs/dbraw/zinc/13/60/17/426136017.db2.gz NQCMGCMQALHRDS-INIZCTEOSA-N 2 0 317.477 2.668 20 0 DFADRP CC(C)[C@@H](Cc1ccc(F)cc1)[NH2+]C[C@@H](C)N1CC[NH+](C)CC1 ZINC000127574946 426073865 /nfs/dbraw/zinc/07/38/65/426073865.db2.gz FSPPFBQORGDNSK-VQIMIIECSA-N 2 0 321.484 2.618 20 0 DFADRP C[C@@H]([NH2+]C[C@H](C)N1CC[NH+](C)CC1)c1cc2c(s1)CCC2 ZINC000127576404 426074026 /nfs/dbraw/zinc/07/40/26/426074026.db2.gz FOFXBBXZVGSQNX-UONOGXRCSA-N 2 0 307.507 2.523 20 0 DFADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC1=CCCOC1 ZINC000127727558 426082644 /nfs/dbraw/zinc/08/26/44/426082644.db2.gz KLHCCHGIWCYGFO-APWZRJJASA-N 2 0 300.446 2.833 20 0 DFADRP c1cnn(CCCCC[N@@H+]2CC[C@H](C[NH+]3CCCCC3)C2)c1 ZINC000075834298 426086930 /nfs/dbraw/zinc/08/69/30/426086930.db2.gz SSMZEOQTLGAENE-GOSISDBHSA-N 2 0 304.482 2.861 20 0 DFADRP CC[NH+](CC)CCCN1CC[NH+](CCc2ccccc2)CC1 ZINC000170793716 426151367 /nfs/dbraw/zinc/15/13/67/426151367.db2.gz DKKNKEIKMQPLMF-UHFFFAOYSA-N 2 0 303.494 2.579 20 0 DFADRP C[N@H+](CCCO)C1CC[NH+]([C@@H]2CCCc3ccccc32)CC1 ZINC000115548908 426168067 /nfs/dbraw/zinc/16/80/67/426168067.db2.gz DPVIZEMKUFRUKD-LJQANCHMSA-N 2 0 302.462 2.843 20 0 DFADRP CC(C)[C@@H](C[NH2+][C@@H]1CCc2cc(F)ccc21)N1CC[NH+](C)CC1 ZINC000132390617 426169860 /nfs/dbraw/zinc/16/98/60/426169860.db2.gz WCEHYOWHYGYLFH-RTBURBONSA-N 2 0 319.468 2.675 20 0 DFADRP C[C@H]1C[N@H+](C)CC[C@@H]1NC[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000134084376 426184648 /nfs/dbraw/zinc/18/46/48/426184648.db2.gz UFDKIWBOUAEGSM-WDSOQIARSA-N 2 0 301.478 2.753 20 0 DFADRP CC[NH+]1CCC(NC(=O)C[N@@H+]2CCC[C@H]2C2CCCCC2)CC1 ZINC000079905478 426206287 /nfs/dbraw/zinc/20/62/87/426206287.db2.gz YJWUXTIOQOTUNO-SFHVURJKSA-N 2 0 321.509 2.632 20 0 DFADRP CC[C@H](C(=O)OC)[NH+]1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC000171501524 426191300 /nfs/dbraw/zinc/19/13/00/426191300.db2.gz JNBCDPSECUXPBI-GOSISDBHSA-N 2 0 318.461 2.782 20 0 DFADRP C[C@H]1CCC[N@@H+]1C1CCN(Cc2ccc3c(c2)OCCO3)CC1 ZINC000134766274 426194150 /nfs/dbraw/zinc/19/41/50/426194150.db2.gz HOZVHVLGYOANIG-HNNXBMFYSA-N 2 0 316.445 2.907 20 0 DFADRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N1CCC[NH+](C2CCCC2)CC1 ZINC000172623856 426229744 /nfs/dbraw/zinc/22/97/44/426229744.db2.gz KCGLVAVZZICBDW-GOSISDBHSA-N 2 0 321.509 2.726 20 0 DFADRP C[N@H+](CC[C@H]1CC[NH2+]C1)Cc1csc(Br)c1 ZINC000084385356 426237697 /nfs/dbraw/zinc/23/76/97/426237697.db2.gz ZIBMKODLAFXVGT-SNVBAGLBSA-N 2 0 303.269 2.942 20 0 DFADRP C[N@H+](CCN1CC[NH+](CC2CCC2)CC1)Cc1ccccc1 ZINC000173719543 426245871 /nfs/dbraw/zinc/24/58/71/426245871.db2.gz RCRQGWDRSQAWKJ-UHFFFAOYSA-N 2 0 301.478 2.536 20 0 DFADRP C[C@H]1C[C@@H](NC[C@@H]2CCC[NH+]2Cc2ccccc2)CC[N@@H+]1C ZINC000119101678 426263029 /nfs/dbraw/zinc/26/30/29/426263029.db2.gz XVZXXVMGTVPMBD-WDSOQIARSA-N 2 0 301.478 2.723 20 0 DFADRP CC[N@@H+]1CC[C@H](N(C)CC(=O)Nc2ccc(C)c(C)c2)[C@H](C)C1 ZINC000174781092 426265827 /nfs/dbraw/zinc/26/58/27/426265827.db2.gz XTWPWJDSYPTRCF-AEFFLSMTSA-N 2 0 317.477 2.904 20 0 DFADRP Cc1cc(C)cc([C@@H](C)[NH2+]C2CCN(CC[NH+](C)C)CC2)c1 ZINC000150947115 426269244 /nfs/dbraw/zinc/26/92/44/426269244.db2.gz VGQKRHDEAPSNDN-QGZVFWFLSA-N 2 0 303.494 2.980 20 0 DFADRP CCc1ccc([C@@H](C)[NH2+]C2CCN(CC[NH+](C)C)CC2)s1 ZINC000150999791 426272550 /nfs/dbraw/zinc/27/25/50/426272550.db2.gz OTDZLCJOIOFHJP-CQSZACIVSA-N 2 0 309.523 2.987 20 0 DFADRP [NH3+]CCCOC1CC[NH+](CCCCOc2ccccc2)CC1 ZINC000339407426 268810560 /nfs/dbraw/zinc/81/05/60/268810560.db2.gz LIBLWGJQXDJWEA-UHFFFAOYSA-N 2 0 306.450 2.675 20 0 DFADRP C[C@@H]([NH2+]CC1CC[NH+](CCO)CC1)c1ccc2c(c1)CCC2 ZINC000151815651 426314301 /nfs/dbraw/zinc/31/43/01/426314301.db2.gz IWVWOMIWVFHMDT-OAHLLOKOSA-N 2 0 302.462 2.530 20 0 DFADRP Cn1ncc2c1CCC[C@H]2[NH2+]Cc1ccc(F)c(C[NH+](C)C)c1 ZINC000120981342 426317674 /nfs/dbraw/zinc/31/76/74/426317674.db2.gz HMXATNLEPVVIAR-QGZVFWFLSA-N 2 0 316.424 2.788 20 0 DFADRP C[C@H](CCc1ccc2c(c1)OCO2)[NH2+]C[C@@H]1CCC[N@H+](C)C1 ZINC000121225744 426325821 /nfs/dbraw/zinc/32/58/21/426325821.db2.gz WFEMVBUJNIRZNP-ZBFHGGJFSA-N 2 0 304.434 2.668 20 0 DFADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1[NH2+]Cc1ccc(Cn2ccnc2)cc1 ZINC000152104725 426326660 /nfs/dbraw/zinc/32/66/60/426326660.db2.gz TUFONLWTNSNCRV-JTDSTZFVSA-N 2 0 312.461 2.750 20 0 DFADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1NC[C@@H](c1ccco1)[NH+]1CCCC1 ZINC000121237138 426327244 /nfs/dbraw/zinc/32/72/44/426327244.db2.gz FSBUCLVCWARCHR-VQHPVUNQSA-N 2 0 305.466 2.735 20 0 DFADRP CC[N@@H+]1CC[C@H]([NH2+]CCc2nnc(-c3ccccc3)o2)[C@H](C)C1 ZINC000090658560 426329314 /nfs/dbraw/zinc/32/93/14/426329314.db2.gz JMQOTWCQEZLPGE-ZBFHGGJFSA-N 2 0 314.433 2.599 20 0 DFADRP C[C@H]1C[N@H+](C)CC[C@@H]1[NH2+]CCc1nc(C(F)(F)F)cs1 ZINC000152212591 426332290 /nfs/dbraw/zinc/33/22/90/426332290.db2.gz GALIRLNRTSAZFC-UWVGGRQHSA-N 2 0 307.385 2.634 20 0 DFADRP C[NH+](C)CCOc1cc(C[NH2+][C@H]2CCc3ccccc32)ccn1 ZINC000090936938 426333487 /nfs/dbraw/zinc/33/34/87/426333487.db2.gz QLLCVACJLNNHFD-SFHVURJKSA-N 2 0 311.429 2.799 20 0 DFADRP CCC[N@@H+]1CC[C@H](C[NH2+][C@@H](C)c2ccc([S@](C)=O)cc2)C1 ZINC000151124282 426279029 /nfs/dbraw/zinc/27/90/29/426279029.db2.gz HXBYOIBAEXOJHZ-PDSXEYIOSA-N 2 0 308.491 2.807 20 0 DFADRP Cc1nccn1-c1ccc([C@H](C)[NH2+]C[C@@H](O)C(F)(F)F)cc1 ZINC000151223649 426285199 /nfs/dbraw/zinc/28/51/99/426285199.db2.gz PQPMRHQZSSXPQC-IINYFYTJSA-N 2 0 313.323 2.755 20 0 DFADRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N1CCC(C[NH+]2CCCC2)CC1 ZINC000175188502 426286077 /nfs/dbraw/zinc/28/60/77/426286077.db2.gz KMXGPMPEDGXQEU-GOSISDBHSA-N 2 0 321.509 2.584 20 0 DFADRP C(NC1CC[NH+](C2CCCCC2)CC1)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000152368511 426341183 /nfs/dbraw/zinc/34/11/83/426341183.db2.gz NTSDYYZXAWAGJY-MRXNPFEDSA-N 3 0 305.510 2.857 20 0 DFADRP C[C@H]([NH2+]CCC1CC[NH+](C)CC1)c1nc2ccccc2n1C ZINC000091333214 426341636 /nfs/dbraw/zinc/34/16/36/426341636.db2.gz SZFBVFFMRXVSBY-AWEZNQCLSA-N 2 0 300.450 2.956 20 0 DFADRP CC(=O)Nc1ccc(C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C)C2)cc1 ZINC000092043297 426346117 /nfs/dbraw/zinc/34/61/17/426346117.db2.gz ZXJHHCZRZOGICO-AEFFLSMTSA-N 2 0 301.434 2.561 20 0 DFADRP CCC[N@@H+](CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C)CC1CC1 ZINC000176112777 426353022 /nfs/dbraw/zinc/35/30/22/426353022.db2.gz VGHOUVBXQGFBSZ-SFHVURJKSA-N 2 0 317.477 2.528 20 0 DFADRP C[C@H](C(=O)NC(C)(C)C)[NH+]1CCC(CCC[NH+]2CCCC2)CC1 ZINC000121762319 426353610 /nfs/dbraw/zinc/35/36/10/426353610.db2.gz IRRMHYYPUDGSAN-MRXNPFEDSA-N 2 0 323.525 2.878 20 0 DFADRP CC[N@@H+]1CC[C@H]([NH2+][C@@H]2CCCN(Cc3ccccc3)C2)[C@H](C)C1 ZINC000152984441 426365143 /nfs/dbraw/zinc/36/51/43/426365143.db2.gz JAVDBZNPWXAVIW-RLLQIKCJSA-N 2 0 315.505 2.971 20 0 DFADRP CC(C)CSCCC[N@@H+]1CCC[C@H](CN2CCOCC2)C1 ZINC000153521272 426389642 /nfs/dbraw/zinc/38/96/42/426389642.db2.gz XDBNWYAPTDCQJQ-KRWDZBQOSA-N 2 0 314.539 2.810 20 0 DFADRP CC1(C)[C@H]([NH2+]CC2CC[NH+](CCO)CC2)C[C@H]1c1ccccc1 ZINC000123192656 426418564 /nfs/dbraw/zinc/41/85/64/426418564.db2.gz HIFZSEPBSQERLH-RBUKOAKNSA-N 2 0 316.489 2.863 20 0 DFADRP C/C(=C\c1ccccc1)C[NH2+]CCN1CCC([NH+](C)C)CC1 ZINC000176989717 426430735 /nfs/dbraw/zinc/43/07/35/426430735.db2.gz QNGWLRXMWVFPQY-BMRADRMJSA-N 2 0 301.478 2.706 20 0 DFADRP CC[NH+]1CCN(CCC[NH2+][C@H]2CCc3c2cccc3C)CC1 ZINC000154234236 426431435 /nfs/dbraw/zinc/43/14/35/426431435.db2.gz PDYARJFLWOWHFK-IBGZPJMESA-N 2 0 301.478 2.600 20 0 DFADRP CC[NH+]1CCN(CCC[NH2+][C@@H](C)c2cccc(C)c2C)CC1 ZINC000154239122 426432002 /nfs/dbraw/zinc/43/20/02/426432002.db2.gz KEJVCFRYDNPCHX-SFHVURJKSA-N 2 0 303.494 2.982 20 0 DFADRP CC[NH+]1CCN(CCC[NH2+][C@@H](C)c2cc3c(s2)CCC3)CC1 ZINC000154278347 426433159 /nfs/dbraw/zinc/43/31/59/426433159.db2.gz PWZQBVHYDMRNKP-HNNXBMFYSA-N 2 0 321.534 2.915 20 0 DFADRP COc1ccc(OCCC[N@H+](C)[C@H]2CCN(C)[C@@H](C)C2)cc1 ZINC000123450028 426434191 /nfs/dbraw/zinc/43/41/91/426434191.db2.gz SEGFXEJLFKTXPH-HOTGVXAUSA-N 2 0 306.450 2.879 20 0 DFADRP CCc1ccc([C@@H](C)[NH2+]CCCN2CC[NH+](CC)CC2)s1 ZINC000154325880 426435584 /nfs/dbraw/zinc/43/55/84/426435584.db2.gz YRRHXQHFTGCQMT-OAHLLOKOSA-N 2 0 309.523 2.989 20 0 DFADRP CC(C)[N@H+]1C[C@H](NC(=O)Nc2cccc(C[NH+](C)C)c2)[C@@H](C)C1 ZINC000177029380 426435740 /nfs/dbraw/zinc/43/57/40/426435740.db2.gz VAUCDQIUWGMREL-YOEHRIQHSA-N 2 0 318.465 2.598 20 0 DFADRP CC(C)C[C@H]1CCCC[N@@H+]1CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000123549505 426439878 /nfs/dbraw/zinc/43/98/78/426439878.db2.gz MHRGCILVHNFFTR-GOSISDBHSA-N 2 0 321.509 2.630 20 0 DFADRP CC(C)[C@H](C[NH2+][C@H]1CCCc2sccc21)N1CC[NH+](C)CC1 ZINC000102196576 426488086 /nfs/dbraw/zinc/48/80/86/426488086.db2.gz ADRXFWMFEKRZNP-IRXDYDNUSA-N 2 0 321.534 2.987 20 0 DFADRP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@@H](C)c1ccc2c(c1)CCCC2 ZINC000155096301 426462831 /nfs/dbraw/zinc/46/28/31/426462831.db2.gz OMTUCHFECLKKDU-SJORKVTESA-N 2 0 315.505 2.852 20 0 DFADRP COCCC[NH+]1CCC([NH2+][C@H](C)c2cccc(OC)c2)CC1 ZINC000177281152 426463183 /nfs/dbraw/zinc/46/31/83/426463183.db2.gz DEDVDRGJMIIMBH-OAHLLOKOSA-N 2 0 306.450 2.847 20 0 DFADRP CC(C)[C@@H](C[NH2+][C@@H]1CCCc2sccc21)N1CC[NH+](C)CC1 ZINC000102196564 426488185 /nfs/dbraw/zinc/48/81/85/426488185.db2.gz ADRXFWMFEKRZNP-IAGOWNOFSA-N 2 0 321.534 2.987 20 0 DFADRP C[N@H+](CCCn1ccnc1)CCC(=O)Nc1cccc(Cl)c1 ZINC000124402741 426483310 /nfs/dbraw/zinc/48/33/10/426483310.db2.gz TYSLZCRIYJODGN-UHFFFAOYSA-N 2 0 320.824 2.887 20 0 DFADRP CC[C@H](C)[N@H+](C)CCNC(=O)c1ccc(C[NH+]2CCCC2)cc1 ZINC000264164924 426508471 /nfs/dbraw/zinc/50/84/71/426508471.db2.gz IYQVZYWSCKARFV-INIZCTEOSA-N 2 0 317.477 2.743 20 0 DFADRP COC(=O)C[C@@H]1CC[C@@H]([NH2+]Cc2cccc(C[NH+](C)C)c2)[C@H]1C ZINC000280161699 426508554 /nfs/dbraw/zinc/50/85/54/426508554.db2.gz FQRBARLHPNCABI-JCGIZDLHSA-N 2 0 318.461 2.816 20 0 DFADRP C[NH+](C)[C@H](CNC(=O)C[N@H+](C)C1CCCCC1)c1ccccc1 ZINC000177756763 426516862 /nfs/dbraw/zinc/51/68/62/426516862.db2.gz PURDNEKFCSRPAG-GOSISDBHSA-N 2 0 317.477 2.670 20 0 DFADRP C[C@H]([NH2+]CC1(CO)CCCC1)c1cccc(OCC[NH+](C)C)c1 ZINC000186478262 426535410 /nfs/dbraw/zinc/53/54/10/426535410.db2.gz IXUULIRBCGUYAC-INIZCTEOSA-N 2 0 320.477 2.830 20 0 DFADRP C[C@@H]([NH2+]CC1(CO)CCCC1)c1ccc(OCC[NH+](C)C)cc1 ZINC000186486756 426538136 /nfs/dbraw/zinc/53/81/36/426538136.db2.gz XFHINIAMCYTREJ-MRXNPFEDSA-N 2 0 320.477 2.830 20 0 DFADRP C/C=C/C[C@H](CO)[NH2+][C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000186510218 426541103 /nfs/dbraw/zinc/54/11/03/426541103.db2.gz YKPORBWMBCVVTD-KHBBMSQDSA-N 2 0 314.473 2.814 20 0 DFADRP C[C@H]1C[C@@H]([NH2+]CC2(C)CC[NH+](C)CC2)CN1Cc1ccccc1 ZINC000272525441 426548784 /nfs/dbraw/zinc/54/87/84/426548784.db2.gz JMBKLBPTLWFSNE-PKOBYXMFSA-N 2 0 315.505 2.971 20 0 DFADRP C[C@@H]([NH2+]CCCC[NH+](C)C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272537093 426551544 /nfs/dbraw/zinc/55/15/44/426551544.db2.gz RKEXHCJGBHPZPY-IEBWSBKVSA-N 3 0 303.494 2.828 20 0 DFADRP COc1ccc(C[C@H](C)[NH2+]CC2(C)CC[NH+](C)CC2)cc1OC ZINC000272534583 426551721 /nfs/dbraw/zinc/55/17/21/426551721.db2.gz JRFROWMNIDDSDA-HNNXBMFYSA-N 2 0 320.477 2.956 20 0 DFADRP Cc1ccc(C)c2c1CCC[C@@H]2[NH2+][C@@H](C)CN1CC[NH+](C)CC1 ZINC000186157512 426490047 /nfs/dbraw/zinc/49/00/47/426490047.db2.gz QLWRRFVHSNVSQA-HKUYNNGSSA-N 2 0 315.505 2.906 20 0 DFADRP COc1cc(C[NH+]2CCC(CC[NH+](C)C)CC2)cc(OC)c1O ZINC000289033675 426572182 /nfs/dbraw/zinc/57/21/82/426572182.db2.gz HDWDVYRHZXKCRN-UHFFFAOYSA-N 2 0 322.449 2.573 20 0 DFADRP C[N@@H+]1CCCC[C@@H]1CCN1CCC2(C1)Oc1ccccc1O2 ZINC000289140556 426590914 /nfs/dbraw/zinc/59/09/14/426590914.db2.gz YLPAYLXLMZMDDK-OAHLLOKOSA-N 2 0 302.418 2.734 20 0 DFADRP C[C@H](NC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1)C(C)(C)C[NH+](C)C ZINC000178278466 426597978 /nfs/dbraw/zinc/59/79/78/426597978.db2.gz ZUKWTLKPHMMNBT-JKSUJKDBSA-N 2 0 323.525 2.734 20 0 DFADRP C[C@@H]1C[C@@H](NC[C@@H](C2CC2)[NH+](C)Cc2ccccc2)CC[N@@H+]1C ZINC000186878343 426602191 /nfs/dbraw/zinc/60/21/91/426602191.db2.gz WXGHQJMIFOEYKC-UXPWSPDFSA-N 2 0 315.505 2.969 20 0 DFADRP COCCC[C@H](C)[NH2+]Cc1ccccc1C[NH+]1CCC(O)CC1 ZINC000178307047 426603170 /nfs/dbraw/zinc/60/31/70/426603170.db2.gz KIFLJCICKXWPKN-INIZCTEOSA-N 2 0 320.477 2.548 20 0 DFADRP C[C@@H]1CC[C@H](C[N@@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)O1 ZINC000280607581 426614056 /nfs/dbraw/zinc/61/40/56/426614056.db2.gz XLLJBQWCMWDWCC-OQIJWPOYSA-N 2 0 300.446 2.618 20 0 DFADRP C[C@@H](CCN1CC[NH+](C)CC1)[NH2+][C@@H]1CCSc2ccccc21 ZINC000186602012 426560713 /nfs/dbraw/zinc/56/07/13/426560713.db2.gz IEXFYSLNGZAGOI-DOTOQJQBSA-N 2 0 319.518 2.839 20 0 DFADRP CC(C)[C@H](C[NH2+]C[C@@H](C)N1CC[NH+](C)CC1)c1ccccc1 ZINC000280916559 426686181 /nfs/dbraw/zinc/68/61/81/426686181.db2.gz PKNLBYNYRRVZHQ-MJGOQNOKSA-N 2 0 303.494 2.652 20 0 DFADRP COCCC[NH+]1CCC([NH2+][C@@H](C)C2CCSCC2)CC1 ZINC000187143551 426633695 /nfs/dbraw/zinc/63/36/95/426633695.db2.gz NJQQQSYCKYEUHB-AWEZNQCLSA-N 2 0 300.512 2.609 20 0 DFADRP CCC[N@@H+](CC(=O)Nc1ccc(Cl)cc1)CC1CC[NH2+]CC1 ZINC000236971865 426686243 /nfs/dbraw/zinc/68/62/43/426686243.db2.gz IPOOTIVTSIXXNG-UHFFFAOYSA-N 2 0 323.868 2.990 20 0 DFADRP CC[NH+](CC)Cc1cccc(NC(=O)[C@]23CCC[C@@H]2C[NH2+]C3)c1 ZINC000280699137 426637007 /nfs/dbraw/zinc/63/70/07/426637007.db2.gz CBMSSKNBALGKMP-APWZRJJASA-N 2 0 315.461 2.857 20 0 DFADRP C[C@H]([NH2+]CCc1cscn1)c1cccc(OCC[NH+](C)C)c1 ZINC000178472296 426637205 /nfs/dbraw/zinc/63/72/05/426637205.db2.gz KSCGJFWVXVDGKG-AWEZNQCLSA-N 2 0 319.474 2.977 20 0 DFADRP C[N@@H+]1CCCC[C@@H]1CCN[C@H](C[S@@](C)=O)c1ccccc1 ZINC000273308522 426638473 /nfs/dbraw/zinc/63/84/73/426638473.db2.gz NBBVXALJVHODKM-CBGDNZLLSA-N 2 0 308.491 2.570 20 0 DFADRP COCCC[NH+]1CCC([NH2+][C@H](C)c2ccc3c(c2)CCO3)CC1 ZINC000178485380 426639670 /nfs/dbraw/zinc/63/96/70/426639670.db2.gz ZQHNYDKIZBJAPT-OAHLLOKOSA-N 2 0 318.461 2.773 20 0 DFADRP C[C@@H](NCc1nnc(C2CC2)[nH]1)c1ccc(-n2ccnc2)cc1 ZINC000273320228 426643480 /nfs/dbraw/zinc/64/34/80/426643480.db2.gz PBYDFQMVEIVWHY-GFCCVEGCSA-N 2 0 308.389 2.719 20 0 DFADRP C[N@H+](CCC(=O)Nc1ccccc1Cl)[C@H]1CCC[NH2+]CC1 ZINC000231670235 426652063 /nfs/dbraw/zinc/65/20/63/426652063.db2.gz FCALOSRFFZKDQI-ZDUSSCGKSA-N 2 0 309.841 2.743 20 0 DFADRP CC(C)([NH3+])CC(=O)NCc1ccccc1C[NH+]1CCCCCC1 ZINC000178746059 426687034 /nfs/dbraw/zinc/68/70/34/426687034.db2.gz ZMSDUMSNFKFMLL-UHFFFAOYSA-N 2 0 317.477 2.806 20 0 DFADRP CC(C)[NH+]1CCC(NC[C@H](c2ccco2)[NH+]2CCCC2)CC1 ZINC000236600174 426665366 /nfs/dbraw/zinc/66/53/66/426665366.db2.gz GBZFAIQAUCMXAJ-QGZVFWFLSA-N 2 0 305.466 2.879 20 0 DFADRP CC1CC[NH+](C[C@H]2CCCN(C(=O)C3([NH3+])CCCCC3)C2)CC1 ZINC000236628171 426667752 /nfs/dbraw/zinc/66/77/52/426667752.db2.gz NNXYBZRKPOULAG-QGZVFWFLSA-N 2 0 321.509 2.619 20 0 DFADRP CC1CC[NH+](Cc2ccc(C[NH2+]Cc3cncn3C)cc2)CC1 ZINC000236635900 426668530 /nfs/dbraw/zinc/66/85/30/426668530.db2.gz XIWXTGVVTFLGDG-UHFFFAOYSA-N 2 0 312.461 2.942 20 0 DFADRP C[C@H]1OCC[C@H]1[NH2+]Cc1ccccc1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000178681570 426674710 /nfs/dbraw/zinc/67/47/10/426674710.db2.gz CMQIARNFGCQDIQ-YYAJDYIMSA-N 2 0 318.461 2.563 20 0 DFADRP CCC(CC)(C[NH3+])C(=O)NC[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000236679272 426675539 /nfs/dbraw/zinc/67/55/39/426675539.db2.gz AWFUZHHYCRCRBA-KRWDZBQOSA-N 2 0 317.477 2.705 20 0 DFADRP C[NH2+]CCCC(=O)NCc1ccccc1C[NH+]1CCC(C)CC1 ZINC000178690211 426677275 /nfs/dbraw/zinc/67/72/75/426677275.db2.gz PAQMJRXNUBLJDM-UHFFFAOYSA-N 2 0 317.477 2.534 20 0 DFADRP CC(C)[C@H]([NH3+])C(=O)N1CCN([C@@H](C)c2ccccc2Cl)CC1 ZINC000236728520 426681355 /nfs/dbraw/zinc/68/13/55/426681355.db2.gz JYHXQSXVBHPXHP-BBRMVZONSA-N 2 0 323.868 2.529 20 0 DFADRP Cn1cncc1CC[N@H+](C)Cc1csc(Br)c1 ZINC000290060590 426683461 /nfs/dbraw/zinc/68/34/61/426683461.db2.gz PIDQSDQLXPBTOO-UHFFFAOYSA-N 2 0 314.252 2.919 20 0 DFADRP C[C@@H]([NH2+]CCC[NH+]1CCCC1)c1cccc(N2CCOC2=O)c1 ZINC000178411754 426624970 /nfs/dbraw/zinc/62/49/70/426624970.db2.gz UZJADJGBPCUVNA-OAHLLOKOSA-N 2 0 317.433 2.780 20 0 DFADRP [NH3+][C@@H]1CCCCCC[C@H]1C(=O)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000178752148 426688085 /nfs/dbraw/zinc/68/80/85/426688085.db2.gz JQTCGJKSPRDWKG-QZTJIDSGSA-N 2 0 321.509 2.761 20 0 DFADRP Cc1ccc(C[NH+](C)C)cc1NC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2[NH2+]1 ZINC000178829435 426702718 /nfs/dbraw/zinc/70/27/18/426702718.db2.gz AQGHLZZXSGASOA-RYRKJORJSA-N 2 0 315.461 2.916 20 0 DFADRP CCN(Cc1nc(-c2cccc(Cn3ccnc3)c2)no1)C1CC1 ZINC000273696427 426710017 /nfs/dbraw/zinc/71/00/17/426710017.db2.gz FWRVLRHYFCJIDF-UHFFFAOYSA-N 2 0 323.400 2.966 20 0 DFADRP C[C@H]1C[C@@H]([NH2+]CCN2CCc3c(Cl)cccc3C2)CC[N@@H+]1C ZINC000187998196 426714437 /nfs/dbraw/zinc/71/44/37/426714437.db2.gz ZQFOZLNKWLNPTI-HOCLYGCPSA-N 2 0 321.896 2.770 20 0 DFADRP CC[N@H+](C)Cc1cccc(C[NH2+]Cc2cnc([C@@H](C)O)s2)c1 ZINC000290209979 426717502 /nfs/dbraw/zinc/71/75/02/426717502.db2.gz DTYQVLMBBWAUNT-CYBMUJFWSA-N 2 0 319.474 2.938 20 0 DFADRP CCCOc1ccc([C@@H](C)[NH2+]C[C@H](C)N2CC[NH+](C)CC2)cc1 ZINC000178774650 426691583 /nfs/dbraw/zinc/69/15/83/426691583.db2.gz OHCIEAJXZKUORJ-DLBZAZTESA-N 2 0 319.493 2.762 20 0 DFADRP COC[C@H]([NH2+]CCCC[N@@H+]1CCCC[C@H]1C)C1CCOCC1 ZINC000187777860 426692744 /nfs/dbraw/zinc/69/27/44/426692744.db2.gz VYUOEOFGDPPIPU-AEFFLSMTSA-N 2 0 312.498 2.672 20 0 DFADRP CCCOc1ccc([C@H](C)[NH2+]C[C@@H](C)N2CC[NH+](C)CC2)cc1 ZINC000178774640 426692743 /nfs/dbraw/zinc/69/27/43/426692743.db2.gz OHCIEAJXZKUORJ-SJORKVTESA-N 2 0 319.493 2.762 20 0 DFADRP C[C@@H]([NH2+]CCN1CC=CCC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000280950705 426693017 /nfs/dbraw/zinc/69/30/17/426693017.db2.gz JRKXKTANFHKBBB-UYAOXDASSA-N 2 0 313.489 2.749 20 0 DFADRP COC[C@H]([NH2+]CCCC[N@@H+]1CCCC[C@@H]1C)C1CCOCC1 ZINC000187777882 426693116 /nfs/dbraw/zinc/69/31/16/426693116.db2.gz VYUOEOFGDPPIPU-WMZOPIPTSA-N 2 0 312.498 2.672 20 0 DFADRP C[NH+](C)C[C@@H](NCc1cn2ccccc2n1)c1ccc(F)cc1 ZINC000290141371 426700720 /nfs/dbraw/zinc/70/07/20/426700720.db2.gz NWNNKEDGZMNFRU-QGZVFWFLSA-N 2 0 312.392 2.866 20 0 DFADRP CC(C)[C@H](O)C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000245735912 426768572 /nfs/dbraw/zinc/76/85/72/426768572.db2.gz QUJGJYCYXJYEOA-AKHDSKFASA-N 2 0 302.462 2.789 20 0 DFADRP C[C@H](CC[NH2+][C@@H](C)C1CCOCC1)[NH2+][C@H](C)C1CCOCC1 ZINC000245876873 426778569 /nfs/dbraw/zinc/77/85/69/426778569.db2.gz MOKGTHXSGBNBQD-OWCLPIDISA-N 2 0 312.498 2.574 20 0 DFADRP Cc1ccc2ncc(C[N@H+]3CC[C@H](C4CC[NH+](C)CC4)C3)n2c1 ZINC000290512595 426780927 /nfs/dbraw/zinc/78/09/27/426780927.db2.gz PPEVQHHPCOGHOM-KRWDZBQOSA-N 2 0 312.461 2.806 20 0 DFADRP C[C@@H]1CCC[N@H+](Cc2ccc(NC(=O)[C@H]3C[C@H](F)C[NH2+]3)cc2)C1 ZINC000188712779 426781815 /nfs/dbraw/zinc/78/18/15/426781815.db2.gz YMKALYRHDKKFFV-UKPHBRMFSA-N 2 0 319.424 2.557 20 0 DFADRP C[C@H](O)C[NH+]1CCC(C[N@H+](C)[C@@H]2C[C@H]2c2ccccc2)CC1 ZINC000274520062 426785510 /nfs/dbraw/zinc/78/55/10/426785510.db2.gz NTZLKYGPKLTLAN-ZYSHUDEJSA-N 2 0 302.462 2.567 20 0 DFADRP CC[C@@H]([NH2+]CC1CC[NH+](CCO)CC1)c1cc(C)ccc1OC ZINC000179425529 426787086 /nfs/dbraw/zinc/78/70/86/426787086.db2.gz YVXZLJZYIAAAQV-GOSISDBHSA-N 2 0 320.477 2.749 20 0 DFADRP CCOc1cc2c(cc1OCC)C[N@H+](CC1CC[NH2+]CC1)CC2 ZINC000178956257 426724806 /nfs/dbraw/zinc/72/48/06/426724806.db2.gz HZGDIMNDVBYDGL-UHFFFAOYSA-N 2 0 318.461 2.842 20 0 DFADRP CC1(C)[C@H]([NH2+]C[C@H](O)C[NH+]2CCCC2)C[C@H]1c1ccccc1 ZINC000274263325 426732587 /nfs/dbraw/zinc/73/25/87/426732587.db2.gz KUMSRKWKPMHBOT-OKZBNKHCSA-N 2 0 302.462 2.615 20 0 DFADRP C[NH+]1CCC(O)(C[NH2+]CCc2ccc(C(C)(C)C)cc2)CC1 ZINC000290322663 426741288 /nfs/dbraw/zinc/74/12/88/426741288.db2.gz ABUJEVVMJRHDGY-UHFFFAOYSA-N 2 0 304.478 2.573 20 0 DFADRP Cc1cc(Cl)ccc1C[NH2+]CC1(O)CC[NH+](C(C)C)CC1 ZINC000274340096 426748436 /nfs/dbraw/zinc/74/84/36/426748436.db2.gz YTGQPKYYEBBDTR-UHFFFAOYSA-N 2 0 310.869 2.973 20 0 DFADRP CCOC(=O)[C@H](CC)N(C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000266619378 426752025 /nfs/dbraw/zinc/75/20/25/426752025.db2.gz KRMXXSMQHQYGDU-MSOLQXFVSA-N 2 0 318.461 2.782 20 0 DFADRP C[C@H]([NH2+]CC1CC[NH+](CCN(C)C)CC1)c1ccc(Cl)nc1 ZINC000179121373 426752814 /nfs/dbraw/zinc/75/28/14/426752814.db2.gz XTTMKHKGKHFNIN-AWEZNQCLSA-N 2 0 324.900 2.659 20 0 DFADRP CC(C)CN(C(=O)C[N@@H+]1CC[C@H](C)[C@H](n2ccnc2)C1)C(C)C ZINC000245582079 426754791 /nfs/dbraw/zinc/75/47/91/426754791.db2.gz JBCUTBWDMYLCAM-DLBZAZTESA-N 2 0 320.481 2.659 20 0 DFADRP CCn1nc(CN(C)[C@@H]2CC[N@H+](C)C[C@@H]2C)c2ccccc21 ZINC000290405991 426757335 /nfs/dbraw/zinc/75/73/35/426757335.db2.gz JSPLKQCPLMLKRE-WMLDXEAASA-N 2 0 300.450 2.828 20 0 DFADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1[NH2+]CC1CCN(CC(F)(F)F)CC1 ZINC000188515197 426759382 /nfs/dbraw/zinc/75/93/82/426759382.db2.gz JDRIIXPNAIYKJF-IPYPFGDCSA-N 2 0 321.431 2.579 20 0 DFADRP Cc1cc(C[NH+](C)C)cc(NC(=O)[C@H]2CC[NH2+][C@@H]2C(C)C)c1 ZINC000290581126 426797250 /nfs/dbraw/zinc/79/72/50/426797250.db2.gz NUAUKQHNAIKVGM-DLBZAZTESA-N 2 0 303.450 2.629 20 0 DFADRP C[C@@H](C(=O)Nc1ccc(C[NH+](C)C)cc1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000266933949 426799256 /nfs/dbraw/zinc/79/92/56/426799256.db2.gz NNPVIROSGFIBLZ-ZNMIVQPWSA-N 2 0 303.450 2.948 20 0 DFADRP CCC[N@H+](C)C[C@H]1CCN([C@@H](C)c2ccc(C(=O)OC)o2)C1 ZINC000267030586 426813724 /nfs/dbraw/zinc/81/37/24/426813724.db2.gz AUYCMDWKFMVDEP-UONOGXRCSA-N 2 0 308.422 2.791 20 0 DFADRP C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)[C@@H]2C[C@H]3CCCC[C@H]3[NH2+]2)C1 ZINC000246281780 426816612 /nfs/dbraw/zinc/81/66/12/426816612.db2.gz MPJJFOHGHCTSPS-VQHPVUNQSA-N 2 0 321.509 2.534 20 0 DFADRP CCC[N@H+](C)C[C@@H]1CC[NH+](CCc2nc3ccccc3n2C)C1 ZINC000267112696 426824869 /nfs/dbraw/zinc/82/48/69/426824869.db2.gz XWIVJQIBCYJMQU-INIZCTEOSA-N 2 0 314.477 2.780 20 0 DFADRP Cc1ccc2cc(C[NH2+]CCCC[NH+]3CCOCC3)ccc2n1 ZINC000189257234 426835349 /nfs/dbraw/zinc/83/53/49/426835349.db2.gz OKCDEEBJJFIDGC-UHFFFAOYSA-N 2 0 313.445 2.745 20 0 DFADRP Cc1cc2c(cc1C)[C@@H]([NH2+]CC1(O)CC[NH+](C)CC1)CCS2 ZINC000275275699 426863781 /nfs/dbraw/zinc/86/37/81/426863781.db2.gz CPBPEHPDTCMGSU-INIZCTEOSA-N 2 0 320.502 2.887 20 0 DFADRP Cc1cccc(CC[C@H](C)[NH2+]CCN2CC[N@H+](C)C(C)(C)C2)c1 ZINC000282315175 426879112 /nfs/dbraw/zinc/87/91/12/426879112.db2.gz NFDCRKJKBVCZMD-SFHVURJKSA-N 2 0 317.521 2.932 20 0 DFADRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+][C@@H]1CC[C@H](c2ccccc2)C1 ZINC000275626403 426882718 /nfs/dbraw/zinc/88/27/18/426882718.db2.gz ANBMEGKGPSJJEX-YZGWKJHDSA-N 2 0 315.505 2.938 20 0 DFADRP C[C@@H]1CCC[C@@](CNC(=O)CC2C[C@H]3CC[C@@H](C2)[NH2+]3)([NH+](C)C)C1 ZINC000246987247 426888534 /nfs/dbraw/zinc/88/85/34/426888534.db2.gz QODSKOJTYPTMGA-BCWVGCMDSA-N 2 0 321.509 2.534 20 0 DFADRP CC(C)[NH+]1CCC(O)(C[NH2+]Cc2ccc(Cl)cc2F)CC1 ZINC000275671688 426891550 /nfs/dbraw/zinc/89/15/50/426891550.db2.gz XHQWVFVSBLFSHI-UHFFFAOYSA-N 2 0 314.832 2.804 20 0 DFADRP C[C@H](O)C[C@H](C[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccccc1 ZINC000305272964 426905536 /nfs/dbraw/zinc/90/55/36/426905536.db2.gz AJSFBQOEFUODLU-AITUJVMLSA-N 2 0 302.462 2.758 20 0 DFADRP C[C@H]1C[C@H]1c1ccc(C[NH2+]CC(C)(C)N2CC[NH+](C)CC2)o1 ZINC000314166731 426926367 /nfs/dbraw/zinc/92/63/67/426926367.db2.gz YTECGLBROIIXTG-GOEBONIOSA-N 2 0 305.466 2.519 20 0 DFADRP CC[NH+](CC)CCCCNC(=O)c1sccc1C[NH+](C)C ZINC000268206599 426949829 /nfs/dbraw/zinc/94/98/29/426949829.db2.gz ZLTPVGKKRMADKI-UHFFFAOYSA-N 2 0 311.495 2.662 20 0 DFADRP Cc1cc(C)cc(OCC[NH+]2CCC(OCCC[NH3+])CC2)c1 ZINC000317293544 426954587 /nfs/dbraw/zinc/95/45/87/426954587.db2.gz WJZWMALSXZCYJV-UHFFFAOYSA-N 2 0 306.450 2.512 20 0 DFADRP OC[C@]1(Cc2ccccc2)CCC[N@H+](CCCn2ccnc2)C1 ZINC000291712269 426961464 /nfs/dbraw/zinc/96/14/64/426961464.db2.gz IPOGOIFLWAVKBC-IBGZPJMESA-N 2 0 313.445 2.590 20 0 DFADRP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCN(c3ccccc3F)C2)CN1C1CC1 ZINC000291725473 426965175 /nfs/dbraw/zinc/96/51/75/426965175.db2.gz NEQPJZAQPMBNNW-RBSFLKMASA-N 2 0 303.425 2.619 20 0 DFADRP CC[C@H](O)C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000247961281 426967126 /nfs/dbraw/zinc/96/71/26/426967126.db2.gz GGAICTPKPXLIFT-QYZOEREBSA-N 2 0 302.462 2.744 20 0 DFADRP Cc1oncc1C[NH+]1CCC(CC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000181735763 426975163 /nfs/dbraw/zinc/97/51/63/426975163.db2.gz FQNZVHZCJKDTOG-HUUCEWRRSA-N 2 0 321.465 2.694 20 0 DFADRP CC[N@@H+]1CC[C@H](NC[C@H](c2ccco2)[NH+]2CCCC2)[C@H](C)C1 ZINC000248049246 426975898 /nfs/dbraw/zinc/97/58/98/426975898.db2.gz VVWAOTHNHAUGER-IXDOHACOSA-N 2 0 305.466 2.736 20 0 DFADRP CN(Cc1ccc2c(c1)COC(C)(C)O2)C[C@@H]1CC[N@H+](C)C1 ZINC000275870921 426936300 /nfs/dbraw/zinc/93/63/00/426936300.db2.gz YBOFFUQEVVTRSN-OAHLLOKOSA-N 2 0 304.434 2.715 20 0 DFADRP O=C(CC[C@@H]1CCC[NH2+]1)NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000292011134 427057375 /nfs/dbraw/zinc/05/73/75/427057375.db2.gz DFYUVHARDQKVNP-LSDHHAIUSA-N 2 0 321.490 2.533 20 0 DFADRP C[C@H]([NH3+])CCC(=O)NCc1ccccc1C[N@@H+]1CCC[C@H](C)C1 ZINC000248901817 427061009 /nfs/dbraw/zinc/06/10/09/427061009.db2.gz ZCWGWPKGSAKKQO-HOTGVXAUSA-N 2 0 317.477 2.662 20 0 DFADRP CCC(=O)CC[NH+]1CCC(CC[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000190269545 427060946 /nfs/dbraw/zinc/06/09/46/427060946.db2.gz SMPZEVYXXCTWBS-HOTGVXAUSA-N 2 0 310.482 2.567 20 0 DFADRP C[C@@H]([NH2+]CCOCC(F)F)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000276158740 426996807 /nfs/dbraw/zinc/99/68/07/426996807.db2.gz CYODOKXKDAISDP-ZBFHGGJFSA-N 2 0 312.404 2.768 20 0 DFADRP CC(=O)Nc1ccc([C@H](C)[NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000181941554 426997737 /nfs/dbraw/zinc/99/77/37/426997737.db2.gz FEJCJNXPBMIXIG-DZGCQCFKSA-N 2 0 301.434 2.780 20 0 DFADRP CO[C@H](Cc1ccccc1)C[NH+]1CCC(CC[NH+](C)C)CC1 ZINC000295558939 427004725 /nfs/dbraw/zinc/00/47/25/427004725.db2.gz QCGWHOLYEVQWED-LJQANCHMSA-N 2 0 304.478 2.908 20 0 DFADRP CCC[C@H]([NH2+]CCCC[N@@H+]1CCC[C@H]1CO)c1cccnc1 ZINC000248485064 427005975 /nfs/dbraw/zinc/00/59/75/427005975.db2.gz DTVWTWFRRAAVNC-ROUUACIJSA-N 2 0 305.466 2.749 20 0 DFADRP CCC[C@@H]([NH2+]CCCC[N@@H+]1CCC[C@H]1CO)c1cccnc1 ZINC000248485067 427007128 /nfs/dbraw/zinc/00/71/28/427007128.db2.gz DTVWTWFRRAAVNC-ZWKOTPCHSA-N 2 0 305.466 2.749 20 0 DFADRP C[C@H]1C[C@H]([N@H+](C)CCCc2ccc3c(c2)CCO3)CCN1C ZINC000190052871 427011709 /nfs/dbraw/zinc/01/17/09/427011709.db2.gz MQJAXCCQFSPXAL-MAUKXSAKSA-N 2 0 302.462 2.969 20 0 DFADRP CCC[NH2+][C@@H](C)C(=O)Nc1ccc(CC[NH+]2CCCC2)cc1 ZINC000295963348 427030125 /nfs/dbraw/zinc/03/01/25/427030125.db2.gz IAILBARHDPCXKH-HNNXBMFYSA-N 2 0 303.450 2.652 20 0 DFADRP C[NH+](C)CCC1CC[NH+](C[C@H](O)CCc2ccccc2)CC1 ZINC000182259079 427041271 /nfs/dbraw/zinc/04/12/71/427041271.db2.gz BJCBKUHLVMCUKU-LJQANCHMSA-N 2 0 304.478 2.644 20 0 DFADRP CC[C@]1(C)C[NH+](CCCC[N@@H+]2CCO[C@](C)(CC)C2)CCO1 ZINC000248997553 427074154 /nfs/dbraw/zinc/07/41/54/427074154.db2.gz YEWHCLXMDKZZGD-QZTJIDSGSA-N 2 0 312.498 2.768 20 0 DFADRP CC[C@@H](NCc1cccc(OCC[NH+](C)C)c1)c1nccn1C ZINC000182488082 427083168 /nfs/dbraw/zinc/08/31/68/427083168.db2.gz XLVSTQGHRCVEPG-QGZVFWFLSA-N 2 0 316.449 2.601 20 0 DFADRP C[N@@H+]1CCCN(CCC[NH2+][C@@H]2CCC[C@@H](C(F)(F)F)C2)CC1 ZINC000249083144 427085787 /nfs/dbraw/zinc/08/57/87/427085787.db2.gz AUSHVGANJJFQNA-HUUCEWRRSA-N 2 0 321.431 2.725 20 0 DFADRP C[NH+]1CCN(c2cc(C[NH2+][C@@H]3CC[C@@H]3C3CCC3)ccn2)CC1 ZINC000338003521 427087403 /nfs/dbraw/zinc/08/74/03/427087403.db2.gz XENRSDJKDQEGME-QZTJIDSGSA-N 2 0 314.477 2.502 20 0 DFADRP C[N@@H+]1CC[C@@]2(CC[NH+](CCC(=O)Nc3cccc(Cl)c3)C2)C1 ZINC000292108589 427091886 /nfs/dbraw/zinc/09/18/86/427091886.db2.gz IUBSUJLEQQANKN-QGZVFWFLSA-N 2 0 321.852 2.696 20 0 DFADRP C[C@H](C[NH2+][C@@H]1CC[C@](C)(c2ccccc2)C1)N1CC[NH+](C)CC1 ZINC000249191191 427095138 /nfs/dbraw/zinc/09/51/38/427095138.db2.gz OFOSMDITRBSNIR-RLLQIKCJSA-N 2 0 315.505 2.722 20 0 DFADRP CCc1ccc([C@@H](CNC(=O)CC[C@@H]2CCC[NH2+]2)[NH+](C)C)cc1 ZINC000292127449 427100816 /nfs/dbraw/zinc/10/08/16/427100816.db2.gz RCZDAVCWFWBAPS-ZWKOTPCHSA-N 2 0 317.477 2.500 20 0 DFADRP C(C[N@H+](C[C@H]1CCCO1)[C@H]1CCSC1)C[NH+]1CCCCC1 ZINC000249290635 427103725 /nfs/dbraw/zinc/10/37/25/427103725.db2.gz AEXMUNUFIGGSGJ-DLBZAZTESA-N 2 0 312.523 2.849 20 0 DFADRP CC(C)[C@H](Cn1cccn1)[NH2+]Cc1ccc(F)c(C[NH+](C)C)c1 ZINC000283943255 427105371 /nfs/dbraw/zinc/10/53/71/427105371.db2.gz FLSKUPATZZOAGK-SFHVURJKSA-N 2 0 318.440 2.898 20 0 DFADRP C[C@H]1CN(Cc2ccccc2)CC[C@@H]1[NH2+]CCCn1cccn1 ZINC000268734644 427106299 /nfs/dbraw/zinc/10/62/99/427106299.db2.gz DBITURAZUVMRTR-HKUYNNGSSA-N 2 0 312.461 2.773 20 0 DFADRP c1ccc(C[NH+]2CCC(N[C@@H]3CC[N@@H+]4CCCC[C@H]34)CC2)cc1 ZINC000268767802 427107773 /nfs/dbraw/zinc/10/77/73/427107773.db2.gz KGFDHEAQMWXIPI-WOJBJXKFSA-N 2 0 313.489 2.867 20 0 DFADRP Cc1cc(N2CC[C@@H]([N@H+](C)CCO)[C@H]2C)c2cc(F)ccc2[nH+]1 ZINC000292149684 427108331 /nfs/dbraw/zinc/10/83/31/427108331.db2.gz CECFDULOCNXPCQ-CXAGYDPISA-N 2 0 317.408 2.574 20 0 DFADRP Cc1ncsc1CN(C)C[C@H]1CC[N@H+](CC2=CCCOC2)C1 ZINC000190458291 427115718 /nfs/dbraw/zinc/11/57/18/427115718.db2.gz WWBRBUGLTRRHBE-OAHLLOKOSA-N 2 0 321.490 2.552 20 0 DFADRP C[C@@H](C(=O)NCC1([NH+](C)C)CCCCC1)[NH+]1[C@H](C)CC[C@H]1C ZINC000338058189 427119511 /nfs/dbraw/zinc/11/95/11/427119511.db2.gz KNCKQBKCTDNSCX-OAGGEKHMSA-N 2 0 309.498 2.628 20 0 DFADRP C[C@H](C(=O)NCC1([NH+](C)C)CCCCC1)[NH+]1[C@H](C)CC[C@H]1C ZINC000338058187 427119600 /nfs/dbraw/zinc/11/96/00/427119600.db2.gz KNCKQBKCTDNSCX-BZUAXINKSA-N 2 0 309.498 2.628 20 0 DFADRP C[C@H](N[C@@H]1CC[N@@H+]2CCCC[C@H]12)c1ccc(-n2cncn2)cc1 ZINC000268796219 427120236 /nfs/dbraw/zinc/12/02/36/427120236.db2.gz WRUVVKHWOHSHKT-BMGDILEWSA-N 2 0 311.433 2.545 20 0 DFADRP COCC[N@H+](C)CCC[NH2+][C@@H](C)c1cccc(OC(F)F)c1 ZINC000268809908 427125542 /nfs/dbraw/zinc/12/55/42/427125542.db2.gz KNYHITGYSKASLE-ZDUSSCGKSA-N 2 0 316.392 2.907 20 0 DFADRP COc1ccsc1C[NH2+]CCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000268813356 427125694 /nfs/dbraw/zinc/12/56/94/427125694.db2.gz UTQLWLBHRAZWEW-OKILXGFUSA-N 2 0 312.479 2.736 20 0 DFADRP CO[C@H](C)[C@H](C)[NH2+]CCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000268830261 427131074 /nfs/dbraw/zinc/13/10/74/427131074.db2.gz WCWYWGDNICSJBD-ZWKOTPCHSA-N 2 0 319.493 2.602 20 0 DFADRP C[C@@H](c1nc(-c2ccccc2)no1)N1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000292208767 427131198 /nfs/dbraw/zinc/13/11/98/427131198.db2.gz TUWFZEQUNGZUIS-KSSFIOAISA-N 2 0 312.417 2.825 20 0 DFADRP C[NH+](C)CCCC[NH2+]C1CCC2(CC1)c1ccccc1NC2=O ZINC000269064547 427148466 /nfs/dbraw/zinc/14/84/66/427148466.db2.gz YLAVQFRSHZWNHH-UHFFFAOYSA-N 2 0 315.461 2.751 20 0 DFADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCC(C)(C)CO ZINC000296341381 427152662 /nfs/dbraw/zinc/15/26/62/427152662.db2.gz HWEXIABQDYAONT-SJLPKXTDSA-N 2 0 304.478 2.895 20 0 DFADRP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCC(C)(C)CO ZINC000296341377 427153329 /nfs/dbraw/zinc/15/33/29/427153329.db2.gz HWEXIABQDYAONT-FUHWJXTLSA-N 2 0 304.478 2.895 20 0 DFADRP Cc1ccc([C@H](C)[NH2+]Cc2cccnc2N2CC[NH+](C)CC2)cc1 ZINC000158530710 271076877 /nfs/dbraw/zinc/07/68/77/271076877.db2.gz WXPSVGKODMBGNA-KRWDZBQOSA-N 2 0 324.472 2.993 20 0 DFADRP CC1CC[NH+](CCCCNC(=O)[C@@H]2CCCCCC[C@H]2[NH3+])CC1 ZINC000165098324 271094789 /nfs/dbraw/zinc/09/47/89/271094789.db2.gz QNYXMEXGAPFNGL-QZTJIDSGSA-N 2 0 323.525 2.912 20 0 DFADRP CCC[C@H]([NH3+])C(=O)NCc1cccc(C[NH+]2CCCCCC2)c1 ZINC000166414000 271096331 /nfs/dbraw/zinc/09/63/31/271096331.db2.gz JVPSPDNREIIBCU-SFHVURJKSA-N 2 0 317.477 2.806 20 0 DFADRP CC(C)[NH+](CCCNC(=O)[C@H](C)[NH+]1[C@H](C)CC[C@H]1C)C(C)C ZINC000174097697 271127789 /nfs/dbraw/zinc/12/77/89/271127789.db2.gz CUXOCBVJEXLEFE-ZACQAIPSSA-N 2 0 311.514 2.873 20 0 DFADRP CC[NH+]1CCC(CCNC(=O)c2cccc(C[NH+](C)C)c2)CC1 ZINC000174180744 271130430 /nfs/dbraw/zinc/13/04/30/271130430.db2.gz UPSFEKOEQWJOQJ-UHFFFAOYSA-N 2 0 317.477 2.600 20 0 DFADRP C[C@@H]1CCC[C@@H](CC[NH+]2CCC(C(=O)NCC[NH+](C)C)CC2)C1 ZINC000177050754 271171949 /nfs/dbraw/zinc/17/19/49/271171949.db2.gz RJEQSJUTUBAJIS-SJORKVTESA-N 2 0 323.525 2.593 20 0 DFADRP Cc1cnn([C@H]2CCC[N@H+](Cc3ccc(-n4ccnc4)nc3)C2)c1 ZINC000177142738 271176845 /nfs/dbraw/zinc/17/68/45/271176845.db2.gz ZGRLFGIFLIQENV-KRWDZBQOSA-N 2 0 322.416 2.609 20 0 DFADRP CCCN(CC[NH+](C)C)C(=O)c1ccc(C[NH+](CC)CC)cc1 ZINC000338171268 427168413 /nfs/dbraw/zinc/16/84/13/427168413.db2.gz FRKPBVPVLNKPPK-UHFFFAOYSA-N 2 0 319.493 2.942 20 0 DFADRP CSc1ccccc1[C@@H](C)[NH2+][C@H](C)CN1CC[NH+](C)CC1 ZINC000194886927 271229618 /nfs/dbraw/zinc/22/96/18/271229618.db2.gz ZMDMMAJSPOFLFI-HUUCEWRRSA-N 2 0 307.507 2.695 20 0 DFADRP CC[N@H+](Cc1ccc(C(=O)N2CCC[C@H](C[NH3+])C2)cc1)C(C)C ZINC000236993106 271243287 /nfs/dbraw/zinc/24/32/87/271243287.db2.gz OOMNYCILZMWGFS-QGZVFWFLSA-N 2 0 317.477 2.728 20 0 DFADRP C[N@H+](CCNC(=O)[C@H]1CCCCCC[C@@H]1[NH3+])C1CCCCC1 ZINC000237145922 271244296 /nfs/dbraw/zinc/24/42/96/271244296.db2.gz JNGIZTZAVJQEGV-IRXDYDNUSA-N 2 0 309.498 2.665 20 0 DFADRP Cc1cc(C[N@@H+]2CCC[C@@H](c3ncc4n3CCCC4)C2)ncn1 ZINC000292311584 427169133 /nfs/dbraw/zinc/16/91/33/427169133.db2.gz AJJHYEUYVVAIBP-OAHLLOKOSA-N 2 0 311.433 2.697 20 0 DFADRP C[C@@H](CC(=O)Nc1ccccc1-n1ccnc1)C1CC[NH2+]CC1 ZINC000237351176 271248045 /nfs/dbraw/zinc/24/80/45/271248045.db2.gz GRYCOHULKHMTDK-AWEZNQCLSA-N 2 0 312.417 2.837 20 0 DFADRP C[C@@H]1CCC[N@H+](Cc2ccc(NC(=O)C(C)(C)C[NH3+])cc2)C1 ZINC000237553316 271250607 /nfs/dbraw/zinc/25/06/07/271250607.db2.gz KHKIPLQXCSLRLP-CQSZACIVSA-N 2 0 303.450 2.842 20 0 DFADRP CCOC1CC([NH2+]Cc2ccc(OC3CC[NH+](C)CC3)cc2)C1 ZINC000284392651 271337854 /nfs/dbraw/zinc/33/78/54/271337854.db2.gz PHAFIBMPIVURKZ-UHFFFAOYSA-N 2 0 318.461 2.817 20 0 DFADRP C[C@@H](NC(=O)c1ccc2c[nH+]cn2c1)[C@H](c1ccccc1)[NH+](C)C ZINC000285112760 271341092 /nfs/dbraw/zinc/34/10/92/271341092.db2.gz XAPLDSXLEDRHJX-RDTXWAMCSA-N 2 0 322.412 2.756 20 0 DFADRP c1ccc(C[C@@H]([NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)c2cccnc2)nc1 ZINC000338195010 427186766 /nfs/dbraw/zinc/18/67/66/427186766.db2.gz KDGTZMVSVCFIOW-OXJNMPFZSA-N 2 0 322.456 2.834 20 0 DFADRP OC1(CC[NH2+][C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)CCC1 ZINC000284361209 427190363 /nfs/dbraw/zinc/19/03/63/427190363.db2.gz NAMMMLKBCDAENR-IPMKNSEASA-N 2 0 314.473 2.792 20 0 DFADRP C[NH+]1CCN(CC[C@H]2CCCC[N@H+]2C)C[C@H]1Cc1ccccc1 ZINC000284681273 427195084 /nfs/dbraw/zinc/19/50/84/427195084.db2.gz GXXGDZLXLUWOQN-WOJBJXKFSA-N 2 0 315.505 2.720 20 0 DFADRP C[C@H](O)[C@](C)(C[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1)Cc1ccccc1 ZINC000253351277 427199942 /nfs/dbraw/zinc/19/99/42/427199942.db2.gz IYRIMFFUHZMMKF-LEAZDLGRSA-N 2 0 316.489 2.833 20 0 DFADRP OCCCCC[N@@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000285614803 427287621 /nfs/dbraw/zinc/28/76/21/427287621.db2.gz QGZDPRHCGIHMTP-IBGZPJMESA-N 2 0 302.462 2.747 20 0 DFADRP CCCNC(=O)C[NH2+]C1CCC([N@H+](C)Cc2ccccc2)CC1 ZINC000285597862 427285707 /nfs/dbraw/zinc/28/57/07/427285707.db2.gz JPLZDTGNMCUSIK-UHFFFAOYSA-N 2 0 317.477 2.545 20 0 DFADRP C[NH+](C)C1(CNC(=O)C[C@@H]([NH3+])c2ccccc2)CCCCCC1 ZINC000269535468 427222025 /nfs/dbraw/zinc/22/20/25/427222025.db2.gz YHTSOJVNDJMDFR-QGZVFWFLSA-N 2 0 317.477 2.847 20 0 DFADRP COc1ccc(C[NH+]2CCC(CCC[NH+]3CCCC3)CC2)nn1 ZINC000338284612 427233919 /nfs/dbraw/zinc/23/39/19/427233919.db2.gz UEORIGYGTQERDC-UHFFFAOYSA-N 2 0 318.465 2.573 20 0 DFADRP C(CO[C@H]1CCCCO1)C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000338285693 427234619 /nfs/dbraw/zinc/23/46/19/427234619.db2.gz KIQHRXUOTCYKOB-UHOSZYNNSA-N 2 0 322.493 2.868 20 0 DFADRP COc1ccnc(C[NH+]2CCC(CCC[NH+](C)C)CC2)c1OC ZINC000191029443 427235386 /nfs/dbraw/zinc/23/53/86/427235386.db2.gz OPMCSZMBCXSZAW-UHFFFAOYSA-N 2 0 321.465 2.653 20 0 DFADRP C[N@@H+](Cc1ccc(-n2ccnc2)cc1)C[C@@H](O)Cc1ccccc1 ZINC000293183104 427236348 /nfs/dbraw/zinc/23/63/48/427236348.db2.gz DRFXUCUIZXMJLW-FQEVSTJZSA-N 2 0 321.424 2.908 20 0 DFADRP C[NH+](C)[C@@H]1CCCN(Cc2cccc3c2OCCCO3)CC1 ZINC000277598745 427254465 /nfs/dbraw/zinc/25/44/65/427254465.db2.gz VMDMRVOWCZJCLJ-MRXNPFEDSA-N 2 0 304.434 2.764 20 0 DFADRP C[NH+](C)[C@H]1CCCN(Cc2cccc3c2OCCCO3)CC1 ZINC000277598740 427254557 /nfs/dbraw/zinc/25/45/57/427254557.db2.gz VMDMRVOWCZJCLJ-INIZCTEOSA-N 2 0 304.434 2.764 20 0 DFADRP C[C@@H](CN1CC[NH+](C)CC1)[NH2+]CC1CCC(C(F)(F)F)CC1 ZINC000183703768 427322407 /nfs/dbraw/zinc/32/24/07/427322407.db2.gz LZGDOCPJLFTXCA-NFOMZHRRSA-N 2 0 321.431 2.581 20 0 DFADRP CCC(CC)(CNC(=O)CC[NH2+]C)[NH2+][C@H](C)c1ccccc1 ZINC000285752193 427328731 /nfs/dbraw/zinc/32/87/31/427328731.db2.gz JHEXSRRFSWVPGQ-OAHLLOKOSA-N 2 0 305.466 2.622 20 0 DFADRP CCC(CC)(CNC(=O)CC[NH2+]C)[NH2+][C@@H](C)c1ccccc1 ZINC000285752190 427329607 /nfs/dbraw/zinc/32/96/07/427329607.db2.gz JHEXSRRFSWVPGQ-HNNXBMFYSA-N 2 0 305.466 2.622 20 0 DFADRP CCc1ccccc1CC[N@H+](C)CC1CC[NH+](C[C@@H](C)O)CC1 ZINC000277822855 427330369 /nfs/dbraw/zinc/33/03/69/427330369.db2.gz VSKAYLIRMUEEHZ-QGZVFWFLSA-N 2 0 318.505 2.816 20 0 DFADRP c1cc(C[N@@H+](CC2CC[NH2+]CC2)[C@@H]2CC23CC[NH2+]CC3)cs1 ZINC000262137860 427353201 /nfs/dbraw/zinc/35/32/01/427353201.db2.gz DPONFKSSBFDZBT-QGZVFWFLSA-N 3 0 319.518 2.692 20 0 DFADRP CC[C@@H]1C[C@@H](C[N@@H+]2C[C@@H](C[NH3+])[C@H](c3ccccc3)C2)CCO1 ZINC000261702649 427339040 /nfs/dbraw/zinc/33/90/40/427339040.db2.gz JLPQFUOCOMQYIV-AITUJVMLSA-N 2 0 302.462 2.866 20 0 DFADRP CCN(CCCNC(=O)NCC[N@H+](C)C(C)C)c1ccccc1 ZINC000338477476 427341806 /nfs/dbraw/zinc/34/18/06/427341806.db2.gz NGSGLGKWJQIGMP-UHFFFAOYSA-N 2 0 320.481 2.542 20 0 DFADRP C[C@H](c1ccc2ccccc2c1)[N@@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000261970074 427346386 /nfs/dbraw/zinc/34/63/86/427346386.db2.gz YVRCVRMYCMHWHP-OXQOHEQNSA-N 2 0 309.457 2.880 20 0 DFADRP CC(C)c1ccc(C[N@@H+]2CCCC[C@H]2CNC(=O)CC[NH3+])cc1 ZINC000262076818 427349468 /nfs/dbraw/zinc/34/94/68/427349468.db2.gz SSFSQJDYZSYKCS-SFHVURJKSA-N 2 0 317.477 2.630 20 0 DFADRP COc1ccc(OCC[N@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3C)cc1 ZINC000285615400 427289596 /nfs/dbraw/zinc/28/95/96/427289596.db2.gz WCCLYNNUOGWJDA-XYPWUTKMSA-N 2 0 304.434 2.631 20 0 DFADRP COCC[N@H+](C)CCC[NH2+][C@H](Cc1cccc(OC)c1)C1CC1 ZINC000269849274 427290995 /nfs/dbraw/zinc/29/09/95/427290995.db2.gz FLMAEWLEVTVACR-LJQANCHMSA-N 2 0 320.477 2.574 20 0 DFADRP C[C@H](CN[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C)C[NH+](C)C ZINC000293351965 427295838 /nfs/dbraw/zinc/29/58/38/427295838.db2.gz HACBNOZELXMTAF-LMMKCTJWSA-N 2 0 303.494 2.684 20 0 DFADRP C[N@@H+]1CCC[C@H]1CCN1CCN(C/C=C\c2ccccc2)CC1 ZINC000255869460 427297226 /nfs/dbraw/zinc/29/72/26/427297226.db2.gz JRRUNDJULNTKCK-JUIXODQZSA-N 2 0 313.489 2.802 20 0 DFADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]CCc1cc(C(F)(F)F)ccn1 ZINC000293626490 427385239 /nfs/dbraw/zinc/38/52/39/427385239.db2.gz GEKVDGLHCHSTAK-LALPHHSUSA-N 2 0 315.383 2.961 20 0 DFADRP C[NH+](C)CC1(C[NH2+]C2CCN(c3cc[nH+]cc3)CC2)CCCC1 ZINC000297285716 427385833 /nfs/dbraw/zinc/38/58/33/427385833.db2.gz ACAHHFFJHGPYGJ-UHFFFAOYSA-N 3 0 316.493 2.762 20 0 DFADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1[NH2+]CCc1cccc(C(F)(F)F)n1 ZINC000293635033 427391968 /nfs/dbraw/zinc/39/19/68/427391968.db2.gz GUTIYFXLAXKEBD-MBNYWOFBSA-N 2 0 315.383 2.961 20 0 DFADRP CC[N@H+](CCOC)Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000271060383 427392458 /nfs/dbraw/zinc/39/24/58/427392458.db2.gz WOFLMSBTTCOQKH-UHFFFAOYSA-N 2 0 319.493 2.685 20 0 DFADRP CC[C@@H]([NH2+]C[C@H](C)CN1CC[NH+](C)CC1)c1cccc(C)c1 ZINC000286009627 427401668 /nfs/dbraw/zinc/40/16/68/427401668.db2.gz JCPDVBQMKOFLNY-PKOBYXMFSA-N 2 0 303.494 2.919 20 0 DFADRP CC[C@@H]([NH2+]C[C@@H](C)CN1CC[NH+](C)CC1)c1cccc(C)c1 ZINC000286009622 427401796 /nfs/dbraw/zinc/40/17/96/427401796.db2.gz JCPDVBQMKOFLNY-IEBWSBKVSA-N 2 0 303.494 2.919 20 0 DFADRP COc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+]CCN1CCCC1)CC3 ZINC000184142279 427403139 /nfs/dbraw/zinc/40/31/39/427403139.db2.gz MWEXORNLINTCJW-CQSZACIVSA-N 2 0 313.445 2.719 20 0 DFADRP C[NH+](C)[C@H](CNC(=O)[C@@H]1CCCC[C@]1(C)[NH3+])C1CCCCC1 ZINC000263065399 427406208 /nfs/dbraw/zinc/40/62/08/427406208.db2.gz VWBGHRFBRYSDNM-JZXOWHBKSA-N 2 0 309.498 2.521 20 0 DFADRP C[C@@H]1CN(Cc2ccccc2)C[C@@H]1[NH2+]Cc1ccc2c[nH+]cn2c1 ZINC000297514168 427413977 /nfs/dbraw/zinc/41/39/77/427413977.db2.gz MNEYACUVZHSGMP-UZLBHIALSA-N 2 0 320.440 2.944 20 0 DFADRP CC[C@@H](Cc1ccc(OC)c(OC)c1)[NH2+]C[C@@H](C)C[NH+](C)C ZINC000293732465 427415995 /nfs/dbraw/zinc/41/59/95/427415995.db2.gz QDYMHAMMZZBWOR-ZBFHGGJFSA-N 2 0 308.466 2.812 20 0 DFADRP C[C@@H](O)C[NH2+][C@@H]1CCCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000286073562 427419771 /nfs/dbraw/zinc/41/97/71/427419771.db2.gz LERCVDCGDRRSTO-NXWXRZEISA-N 2 0 302.462 2.648 20 0 DFADRP CCC[C@H](C)NC(=O)[C@@H]1CCC[N@H+](CCC[NH+](CC)CC)C1 ZINC000191466571 427355543 /nfs/dbraw/zinc/35/55/43/427355543.db2.gz QFEJUXUCNTYKHK-DLBZAZTESA-N 2 0 311.514 2.735 20 0 DFADRP CN(CCC[N@H+](C)C[C@@H]1CC2(CCC2)C(=O)O1)Cc1ccco1 ZINC000285860907 427357061 /nfs/dbraw/zinc/35/70/61/427357061.db2.gz YLAOOWDGPMMOHL-INIZCTEOSA-N 2 0 320.433 2.519 20 0 DFADRP C[C@@H]([NH2+]CC[C@H](C)CCO)c1cccc(OCC[NH+](C)C)c1 ZINC000297225249 427364857 /nfs/dbraw/zinc/36/48/57/427364857.db2.gz HMWHRQCIVOPABJ-JKSUJKDBSA-N 2 0 308.466 2.686 20 0 DFADRP COc1ccc(C(=O)CC[NH+]2CCC(CC[NH+](C)C)CC2)cc1 ZINC000285899282 427367771 /nfs/dbraw/zinc/36/77/71/427367771.db2.gz GSVANZGZOAWHFR-UHFFFAOYSA-N 2 0 318.461 2.932 20 0 DFADRP C[C@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)C2([NH3+])CCCCC2)C1 ZINC000263299563 427456389 /nfs/dbraw/zinc/45/63/89/427456389.db2.gz ZAINGNUPLNSQCR-DLBZAZTESA-N 2 0 321.509 2.761 20 0 DFADRP C[C@@H](O)C[NH2+][C@@H]1CCCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000286073565 427419983 /nfs/dbraw/zinc/41/99/83/427419983.db2.gz LERCVDCGDRRSTO-OQIJWPOYSA-N 2 0 302.462 2.648 20 0 DFADRP CC(C)[C@H](C(=O)NCC1([NH+]2CCCCC2)CCCCC1)[NH+](C)C ZINC000340953118 271764079 /nfs/dbraw/zinc/76/40/79/271764079.db2.gz MGSIMVWOBGFADM-QGZVFWFLSA-N 2 0 323.525 2.878 20 0 DFADRP Cc1ccc(C[N@@H+](C)CC2CC[NH+](C[C@@H](C)O)CC2)cc1F ZINC000271179500 427435230 /nfs/dbraw/zinc/43/52/30/427435230.db2.gz VMBGVMFTPIIZDH-OAHLLOKOSA-N 2 0 308.441 2.659 20 0 DFADRP C[NH+](C)C1(CNC(=O)[C@@H]2CCCC[C@]2(C)[NH3+])CCCCCC1 ZINC000263217803 427440829 /nfs/dbraw/zinc/44/08/29/427440829.db2.gz LEAGHFBTBMVNNY-RDJZCZTQSA-N 2 0 309.498 2.665 20 0 DFADRP Clc1ccc(C[NH2+]C2CCN(c3cc[nH+]cc3)CC2)nc1 ZINC000297747443 427443988 /nfs/dbraw/zinc/44/39/88/427443988.db2.gz UBOMSJZOUPSVRX-UHFFFAOYSA-N 2 0 302.809 2.889 20 0 DFADRP C[C@@H]1CC[N@H+](C[C@H](O)c2c(F)cccc2F)C[C@@H]1n1ccnc1 ZINC000271353471 427506885 /nfs/dbraw/zinc/50/68/85/427506885.db2.gz YUJXBLMCKFXOAG-KCXAZCMYSA-N 2 0 321.371 2.778 20 0 DFADRP C[C@@H]1CC[N@H+](C[C@H](O)c2c(F)cccc2F)C[C@H]1n1ccnc1 ZINC000271353473 427507186 /nfs/dbraw/zinc/50/71/86/427507186.db2.gz YUJXBLMCKFXOAG-WQVCFCJDSA-N 2 0 321.371 2.778 20 0 DFADRP CCN(CCC[NH+](C)C)C(=O)[C@H](c1ccccc1)[NH+](CC)CC ZINC000338893805 427542845 /nfs/dbraw/zinc/54/28/45/427542845.db2.gz DCGBZYGDDGISLT-SFHVURJKSA-N 2 0 319.493 2.870 20 0 DFADRP COc1ccc([C@H](C)[NH2+]C2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)cc1 ZINC000271452628 427544263 /nfs/dbraw/zinc/54/42/63/427544263.db2.gz FAKSFLLQZJARQT-GDIGMMSISA-N 2 0 318.461 2.724 20 0 DFADRP C[C@@H](CO)CCC[NH2+][C@H](C)c1ccc(OCC[NH+](C)C)cc1 ZINC000271454709 427545414 /nfs/dbraw/zinc/54/54/14/427545414.db2.gz GPCDTYGANXYFKT-HZPDHXFCSA-N 2 0 308.466 2.686 20 0 DFADRP C[N@@H+]1CCC[C@H]1CC[NH+]1CCC[C@H]1Cn1cnc2ccccc21 ZINC000271458281 427548198 /nfs/dbraw/zinc/54/81/98/427548198.db2.gz YIWRVEGEHRQQGK-IRXDYDNUSA-N 2 0 312.461 2.985 20 0 DFADRP CC[NH+](CC)Cc1ccc(C(=O)N2CCC[C@@H]2C[NH+](C)C)cc1 ZINC000263931333 427613938 /nfs/dbraw/zinc/61/39/38/427613938.db2.gz YDJSMBLBXOOCJP-GOSISDBHSA-N 2 0 317.477 2.695 20 0 DFADRP CCn1cc(C[NH2+][C@@H](C)c2cccc(OCC[NH+](C)C)c2)cn1 ZINC000271485574 427557848 /nfs/dbraw/zinc/55/78/48/427557848.db2.gz LDCCZZFSNNWWSP-HNNXBMFYSA-N 2 0 316.449 2.694 20 0 DFADRP CCOC(CN1CCC[C@H](C[NH+]2CCCCCC2)C1)OCC ZINC000184964561 427569121 /nfs/dbraw/zinc/56/91/21/427569121.db2.gz CVWJCDDLAZADDL-QGZVFWFLSA-N 2 0 312.498 2.974 20 0 DFADRP CNC(=O)C[C@H](C)[NH2+]Cc1ccc(C[NH+]2CCC(C)CC2)cc1 ZINC000298318389 427569211 /nfs/dbraw/zinc/56/92/11/427569211.db2.gz XLDAGTLMSFNLDL-INIZCTEOSA-N 2 0 317.477 2.533 20 0 DFADRP CCCCOCC[NH+]1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000338940912 427573901 /nfs/dbraw/zinc/57/39/01/427573901.db2.gz ZMIDIDWKMGAXLQ-CALCHBBNSA-N 2 0 312.498 2.624 20 0 DFADRP CC[C@H](O)C[N@@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000339008967 427623158 /nfs/dbraw/zinc/62/31/58/427623158.db2.gz DOGLRPMVCKUDJR-RBUKOAKNSA-N 2 0 302.462 2.745 20 0 DFADRP COc1cc2c(cc1CNC1C[C@H]3CC[C@@H](C1)[N@H+]3C)O[C@@H](C)C2 ZINC000192647112 427580631 /nfs/dbraw/zinc/58/06/31/427580631.db2.gz KUKHUISZROIOQQ-RJCAOGMDSA-N 2 0 316.445 2.733 20 0 DFADRP c1cc(N2CCC([NH2+]CCOC3CCCCC3)CC2)cc[nH+]1 ZINC000298348297 427580820 /nfs/dbraw/zinc/58/08/20/427580820.db2.gz JPDQYCCHGVEMJN-UHFFFAOYSA-N 2 0 303.450 2.989 20 0 DFADRP C[C@H](O)c1ccc(C[NH2+]C2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC000298369556 427585984 /nfs/dbraw/zinc/58/59/84/427585984.db2.gz KRINMYYVJGMBFV-HNNXBMFYSA-N 2 0 311.429 2.894 20 0 DFADRP COC(=O)c1cccc(CN2CC[C@]3(CC[N@H+](C)C3)C2)c1Cl ZINC000294214194 427588168 /nfs/dbraw/zinc/58/81/68/427588168.db2.gz MXSQKWXAHHBXOZ-KRWDZBQOSA-N 2 0 322.836 2.654 20 0 DFADRP CCN(CC)c1ccc(CNC2C[C@H]3CC[C@@H](C2)[N@H+]3C)cn1 ZINC000192706371 427593511 /nfs/dbraw/zinc/59/35/11/427593511.db2.gz GCZNLKSACQPZED-ALOPSCKCSA-N 2 0 302.466 2.643 20 0 DFADRP COc1ccc(CCC[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc1OC ZINC000192738782 427597569 /nfs/dbraw/zinc/59/75/69/427597569.db2.gz OIQKCWYVALHQJU-ALOPSCKCSA-N 2 0 318.461 2.851 20 0 DFADRP C[C@@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C)N1CCc2sccc2C1 ZINC000192751737 427601404 /nfs/dbraw/zinc/60/14/04/427601404.db2.gz MSZXAIGWVVVECV-LNRIEFBSSA-N 2 0 319.518 2.710 20 0 DFADRP CN(CC[NH2+]C1CCN(c2cc[nH+]cc2)CC1)C1CCCC1 ZINC000298419865 427605009 /nfs/dbraw/zinc/60/50/09/427605009.db2.gz MLQWTNCNSLEGEO-UHFFFAOYSA-N 2 0 302.466 2.514 20 0 DFADRP CN(C)c1ncccc1O[C@H]1CC[N@H+](C[C@@H]2CCC(C)(C)O2)C1 ZINC000298497311 427629445 /nfs/dbraw/zinc/62/94/45/427629445.db2.gz JWUDKZJRTRKVTI-GJZGRUSLSA-N 2 0 319.449 2.558 20 0 DFADRP CC[N@H+](C)C[C@H]1CC[NH+](C[C@@H](O)Cc2cccc(Cl)c2)C1 ZINC000287552420 427634694 /nfs/dbraw/zinc/63/46/94/427634694.db2.gz AQYLWWUHHPEZAK-WBVHZDCISA-N 2 0 310.869 2.517 20 0 DFADRP C[C@H]([NH2+][C@H]1CCC[C@@H]([NH+](C)C)C1)c1cccc(-n2ccnn2)c1 ZINC000287558201 427638273 /nfs/dbraw/zinc/63/82/73/427638273.db2.gz GBOQQIKZGJHYKV-BHYGNILZSA-N 2 0 313.449 2.791 20 0 DFADRP CN(C)c1cc[nH+]cc1CNC[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000192935532 427638375 /nfs/dbraw/zinc/63/83/75/427638375.db2.gz MAKLZMNCGDXANJ-GOSISDBHSA-N 2 0 324.472 2.759 20 0 DFADRP C[C@H](CC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C)NC(=O)OC(C)(C)C ZINC000192979966 427646021 /nfs/dbraw/zinc/64/60/21/427646021.db2.gz QDHZDBTULFKHDH-FFHGMXDLSA-N 2 0 311.470 2.505 20 0 DFADRP C[C@@H](CC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C)NC(=O)OC(C)(C)C ZINC000192979952 427646675 /nfs/dbraw/zinc/64/66/75/427646675.db2.gz QDHZDBTULFKHDH-AVOUXACISA-N 2 0 311.470 2.505 20 0 DFADRP CCn1nccc1C[NH+]1CCC(c2ncc3n2CCCC3)CC1 ZINC000279361852 427653353 /nfs/dbraw/zinc/65/33/53/427653353.db2.gz HCAYHJBDWJFPPV-UHFFFAOYSA-N 2 0 313.449 2.815 20 0 DFADRP C[C@@H]1C[NH+](CCCC[NH2+]Cc2cc(O)cc(F)c2)C[C@@H](C)O1 ZINC000185496337 427664448 /nfs/dbraw/zinc/66/44/48/427664448.db2.gz HJHGTCNQWJZSBB-ZIAGYGMSSA-N 2 0 310.413 2.510 20 0 DFADRP C[C@H]1C[C@H]([NH2+]Cc2ccncc2OCC[NH+](C)C)C[C@@H](C)C1 ZINC000342417521 272008853 /nfs/dbraw/zinc/00/88/53/272008853.db2.gz HQTTUCYSQFDZIA-QLPKVWCKSA-N 2 0 305.466 2.936 20 0 DFADRP CC[C@H](C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C(C)C)[NH+](CC)CC ZINC000342565840 272025406 /nfs/dbraw/zinc/02/54/06/272025406.db2.gz HTEIRRNAERXMOU-IXDOHACOSA-N 2 0 309.498 2.581 20 0 DFADRP CCC1CC([NH2+]Cc2ccc(N3CC[NH+](CC)CC3)nc2)C1 ZINC000342664855 272038804 /nfs/dbraw/zinc/03/88/04/272038804.db2.gz KGVRTWKDSJSQSV-UHFFFAOYSA-N 2 0 302.466 2.502 20 0 DFADRP C[C@@H]([NH2+]Cc1ccc(OC2CC[NH+](C)CC2)cc1)[C@@H]1CCCO1 ZINC000342812191 272057059 /nfs/dbraw/zinc/05/70/59/272057059.db2.gz JSSHGOPDVVTOQJ-BEFAXECRSA-N 2 0 318.461 2.817 20 0 DFADRP CCCCNC(=O)[C@@H]1CC[C@@H](C)[N@H+](CCCn2ccnc2C)C1 ZINC000342862765 272063581 /nfs/dbraw/zinc/06/35/81/272063581.db2.gz CSMSJKIYMNWRMT-NVXWUHKLSA-N 2 0 320.481 2.598 20 0 DFADRP CCCCNC(=O)[C@@H]1CC[C@H](C)[N@H+](CCCn2ccnc2C)C1 ZINC000342862764 272063741 /nfs/dbraw/zinc/06/37/41/272063741.db2.gz CSMSJKIYMNWRMT-DOTOQJQBSA-N 2 0 320.481 2.598 20 0 DFADRP C[C@H]1C[N@H+](C)C[C@H]1Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000342902704 272065595 /nfs/dbraw/zinc/06/55/95/272065595.db2.gz PFDIXGWKALXHFR-WMLDXEAASA-N 2 0 305.491 2.597 20 0 DFADRP Cc1nn(Cc2ccccc2)c(C)c1C[NH2+][C@H]1CN(C)C[C@@H]1C ZINC000343062215 272080214 /nfs/dbraw/zinc/08/02/14/272080214.db2.gz FHYFPXQEHQBGKR-LIRRHRJNSA-N 2 0 312.461 2.588 20 0 DFADRP C[C@@H](C[NH2+][C@H]1CCc2ccc(Cl)cc21)CN1CC[NH+](C)CC1 ZINC000343102769 272087319 /nfs/dbraw/zinc/08/73/19/272087319.db2.gz MWYQPEDMCUWLBE-KSSFIOAISA-N 2 0 321.896 2.800 20 0 DFADRP OCC[NH+]1CCC(C[NH2+][C@@H]2CCc3ccc(Cl)cc32)CC1 ZINC000343116886 272089476 /nfs/dbraw/zinc/08/94/76/272089476.db2.gz JRMCPEVTCIZIQD-QGZVFWFLSA-N 2 0 308.853 2.621 20 0 DFADRP CCC[C@H](C(=O)N1CCC[C@H]([N@H+]2[C@H](C)CC[C@@H]2C)C1)[NH+](C)C ZINC000343207942 272096381 /nfs/dbraw/zinc/09/63/81/272096381.db2.gz BLKYQEUKLADXNK-VVLHAWIVSA-N 2 0 309.498 2.581 20 0 DFADRP CCC[C@H](C(=O)N1CCC[C@H]([NH+]2[C@H](C)CC[C@H]2C)C1)[NH+](C)C ZINC000343207943 272096459 /nfs/dbraw/zinc/09/64/59/272096459.db2.gz BLKYQEUKLADXNK-WCXIOVBPSA-N 2 0 309.498 2.581 20 0 DFADRP c1ccc([C@@H]2OCC[C@@H]2C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000343335245 272121104 /nfs/dbraw/zinc/12/11/04/272121104.db2.gz HWUKPECPGOSWPY-XWSJACJDSA-N 2 0 300.446 2.981 20 0 DFADRP C[C@H]1CN(C)C[C@@H]1[NH2+]Cc1ccccc1C[N@@H+]1CCC[C@@H](C)C1 ZINC000343494089 272158961 /nfs/dbraw/zinc/15/89/61/272158961.db2.gz IURFFSUAJZHCKI-UWVAXJGDSA-N 2 0 315.505 2.958 20 0 DFADRP CCN1C[C@@H](C)[C@H]([NH2+]Cc2cccc(C[NH+](CC)CC)c2)C1 ZINC000343557946 272169774 /nfs/dbraw/zinc/16/97/74/272169774.db2.gz GOESZZDYEPTGDX-VQIMIIECSA-N 2 0 303.494 2.958 20 0 DFADRP CC[NH+](CC)CC1CC[NH+](CC(=O)N(CC(C)C)C2CC2)CC1 ZINC000343567348 272172184 /nfs/dbraw/zinc/17/21/84/272172184.db2.gz NCVZUBWPBXXQNC-UHFFFAOYSA-N 2 0 323.525 2.687 20 0 DFADRP CCC[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCCC[NH+]1C1CCCC1 ZINC000343641138 272191303 /nfs/dbraw/zinc/19/13/03/272191303.db2.gz NXUQHLQVBQUJLU-QZTJIDSGSA-N 2 0 321.509 2.774 20 0 DFADRP CC[N@H+](C)[C@@H](C(=O)NC[C@@H]1CCC[NH+](CC)C1)c1ccccc1 ZINC000343749875 272211092 /nfs/dbraw/zinc/21/10/92/272211092.db2.gz CLHIKGISAWNLAO-FUHWJXTLSA-N 2 0 317.477 2.528 20 0 DFADRP CCOc1cc2[nH+]ccc(N[C@H](C)C[NH+](C)C)c2cc1OCC ZINC000343785056 272218770 /nfs/dbraw/zinc/21/87/70/272218770.db2.gz FVSVZLJUDHHGSE-CYBMUJFWSA-N 2 0 317.433 2.816 20 0 DFADRP CC[NH+](CC)C[C@@H](C)NC(=O)[C@H](c1ccccc1)[N@H+](C)CC ZINC000343803769 272222982 /nfs/dbraw/zinc/22/29/82/272222982.db2.gz NGOMOQSOIVSSDD-WBVHZDCISA-N 2 0 305.466 2.526 20 0 DFADRP CCN1C[C@H](C)[C@H]([NH2+]CC2CC[NH+](Cc3cccs3)CC2)C1 ZINC000343990450 272248536 /nfs/dbraw/zinc/24/85/36/272248536.db2.gz UXIAGRSXUTXWBG-MAUKXSAKSA-N 2 0 321.534 2.890 20 0 DFADRP C[C@H](c1ccc(F)c(F)c1)[N@H+](C)CCCN(C)CC[NH+](C)C ZINC000344026921 272251769 /nfs/dbraw/zinc/25/17/69/272251769.db2.gz KCWOBBQADZYKOO-CQSZACIVSA-N 2 0 313.436 2.841 20 0 DFADRP CSc1ccc(C[N@H+](C)CCCN(C)CC[NH+](C)C)cc1 ZINC000344047005 272252317 /nfs/dbraw/zinc/25/23/17/272252317.db2.gz YCTDRNBKMGCBHS-UHFFFAOYSA-N 2 0 309.523 2.724 20 0 DFADRP C[NH+](C)CCOc1cnccc1C[NH2+][C@@H]1CCC[C@@H]1C1CC1 ZINC000344106992 272265084 /nfs/dbraw/zinc/26/50/84/272265084.db2.gz UREJQYKVWZPOLP-IAGOWNOFSA-N 2 0 303.450 2.690 20 0 DFADRP C[N@@H+]1CCCN(CCC[NH2+][C@H]2CCCc3ccc(F)cc32)CC1 ZINC000344161129 272276944 /nfs/dbraw/zinc/27/69/44/272276944.db2.gz GDVHDCZYXYZJMK-IBGZPJMESA-N 2 0 319.468 2.820 20 0 DFADRP C[N@@H+]1CCC[C@@H]1CC[NH+]1CC[C@](CO)(Cc2ccc(F)cc2)C1 ZINC000344171401 272279327 /nfs/dbraw/zinc/27/93/27/272279327.db2.gz RVTYITIDCQMCGX-MOPGFXCFSA-N 2 0 320.452 2.537 20 0 DFADRP Cc1cc(C[NH2+][C@@H](C)CCN2CCOCC2)cc2cccnc12 ZINC000344206055 272287474 /nfs/dbraw/zinc/28/74/74/272287474.db2.gz DQUYTRYWJALCNC-INIZCTEOSA-N 2 0 313.445 2.744 20 0 DFADRP CC(C)n1nccc1[C@@H]1OCC[C@@H]1[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000344248410 272297137 /nfs/dbraw/zinc/29/71/37/272297137.db2.gz LDFCBJQUYJOXDY-MUQADHOPSA-N 2 0 318.465 2.510 20 0 DFADRP c1cc(OCC[NH+]2CCCC2)ccc1C[NH2+]CC[C@@H]1CCOC1 ZINC000344296630 272306988 /nfs/dbraw/zinc/30/69/88/272306988.db2.gz NGRGQYBVAJIQOZ-GOSISDBHSA-N 2 0 318.461 2.677 20 0 DFADRP CC(C)CCOc1ccc(C[NH2+]CC2(O)CC[NH+](C)CC2)cc1 ZINC000344582303 272341941 /nfs/dbraw/zinc/34/19/41/272341941.db2.gz LDUKOCMRZXOMNT-UHFFFAOYSA-N 2 0 320.477 2.658 20 0 DFADRP CC(C)[NH+]1CCC(O)(C[NH2+]Cc2cnc(C3CCC3)s2)CC1 ZINC000344663792 272353235 /nfs/dbraw/zinc/35/32/35/272353235.db2.gz AMCAPSSYZWMLFP-UHFFFAOYSA-N 2 0 323.506 2.736 20 0 DFADRP C[NH+](C)CC1(C(=O)NC[C@H]2[N@H+](C)CCCC2(C)C)CCCCC1 ZINC000344680688 272356324 /nfs/dbraw/zinc/35/63/24/272356324.db2.gz YNUCYODYBYVILH-MRXNPFEDSA-N 2 0 323.525 2.735 20 0 DFADRP CC(C)[NH+]1CCC(O)(C[NH2+][C@@H](C)CCc2ccc(O)cc2)CC1 ZINC000344741501 272364248 /nfs/dbraw/zinc/36/42/48/272364248.db2.gz RZPDFESSFPFXIC-INIZCTEOSA-N 2 0 320.477 2.538 20 0 DFADRP COCC[C@@H](Cc1cccc(F)c1)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000295099580 427690624 /nfs/dbraw/zinc/69/06/24/427690624.db2.gz UQIRFOCEESNGHD-QBUWPKIASA-N 2 0 320.452 2.988 20 0 DFADRP C[NH+](C)[C@H]1CCC[N@H+](C[C@@H](O)Cc2cccc(Cl)c2)CC1 ZINC000287779726 427690578 /nfs/dbraw/zinc/69/05/78/427690578.db2.gz NIQXZEUZFQEABD-IRXDYDNUSA-N 2 0 310.869 2.660 20 0 DFADRP O=C(Nc1ccccc1)[C@H]1CCC[N@H+](CCC[NH+]2CCCC2)C1 ZINC000193461489 427693539 /nfs/dbraw/zinc/69/35/39/427693539.db2.gz JYISOQRGFZDCEG-KRWDZBQOSA-N 2 0 315.461 2.823 20 0 DFADRP C[C@H]([NH2+][C@@H]1Cc2ccccc2[C@@H]1O)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185716269 427694679 /nfs/dbraw/zinc/69/46/79/427694679.db2.gz HMFHDOJPXZBETO-NBPAUJCUSA-N 2 0 314.473 2.887 20 0 DFADRP C[C@H](N[C@@H]1CC[N@H+](C)[C@H](C)C1)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000272278113 427696782 /nfs/dbraw/zinc/69/67/82/427696782.db2.gz CMJONURMUSGRDS-PIKOESSRSA-N 2 0 315.505 2.969 20 0 DFADRP C[C@H](N[C@@H]1CC[N@H+](C)[C@@H](C)C1)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000272278114 427696837 /nfs/dbraw/zinc/69/68/37/427696837.db2.gz CMJONURMUSGRDS-QGZVKYPTSA-N 2 0 315.505 2.969 20 0 DFADRP C[N@H+](CCCN1CC[NH+](C)CC1)Cc1cccc(C(F)F)c1 ZINC000279829501 427718973 /nfs/dbraw/zinc/71/89/73/427718973.db2.gz YXSFPDRMOGSPJR-UHFFFAOYSA-N 2 0 311.420 2.694 20 0 DFADRP COC(=O)CCC[C@@H]1CCC[C@H]([NH2+]CC2=CC[N@H+](C)CC2)C1 ZINC000339339235 427756510 /nfs/dbraw/zinc/75/65/10/427756510.db2.gz DZLWNOULQWAEIB-RDJZCZTQSA-N 2 0 308.466 2.740 20 0 DFADRP CSC1(C[NH2+]Cc2cccc(O)c2Cl)CC[NH+](C)CC1 ZINC000339402550 427768880 /nfs/dbraw/zinc/76/88/80/427768880.db2.gz JZRIIUORANYKME-UHFFFAOYSA-N 2 0 314.882 2.963 20 0 DFADRP CCn1ccnc1C[N@H+](CCC(C)C)[C@H]1CC12CC[NH2+]CC2 ZINC000339409008 427770025 /nfs/dbraw/zinc/77/00/25/427770025.db2.gz WABBDVULQWMKHO-INIZCTEOSA-N 2 0 304.482 2.893 20 0 DFADRP C[C@@H](C(=O)N1CCC[N@H+](CC2CCC2)CC1)[NH+]1CCCCCC1 ZINC000339199815 427727290 /nfs/dbraw/zinc/72/72/90/427727290.db2.gz BSDPZCVFSOKNAN-KRWDZBQOSA-N 2 0 321.509 2.585 20 0 DFADRP CN(CC[C@H]1CCC[N@@H+]1C)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000336704741 427748695 /nfs/dbraw/zinc/74/86/95/427748695.db2.gz GVLCLJCBBJUPLP-RTBURBONSA-N 2 0 301.478 2.677 20 0 DFADRP C[N@H+](C[C@H]1CC[NH+](Cc2ccccc2)C1)C[C@H]1CCCOC1 ZINC000336723946 427750254 /nfs/dbraw/zinc/75/02/54/427750254.db2.gz WVMZMTGZHNFQNN-RTBURBONSA-N 2 0 302.462 2.867 20 0 DFADRP CC(C)[NH+]1CCN(CCC[N@@H+]2CC(C)(C)[C@@H]3CCC[C@H]32)CC1 ZINC000339714149 427816402 /nfs/dbraw/zinc/81/64/02/427816402.db2.gz AYBRYUPFWRXOCX-QZTJIDSGSA-N 2 0 307.526 2.913 20 0 DFADRP CC(C)[NH+]1CCN(CCC[N@@H+]2Cc3ccccc3[C@@H]2C)CC1 ZINC000337249702 427823702 /nfs/dbraw/zinc/82/37/02/427823702.db2.gz LZUDMKCPDMPWLD-KRWDZBQOSA-N 2 0 301.478 2.979 20 0 DFADRP CCCc1cc(N2CC[NH+]([C@H](C)CO)CC2)c2ccccc2[nH+]1 ZINC000301806730 427826387 /nfs/dbraw/zinc/82/63/87/427826387.db2.gz BZULQHMGZMEURY-OAHLLOKOSA-N 2 0 313.445 2.690 20 0 DFADRP CN(CC[C@H]1CCCC[N@@H+]1C)c1cc(NCC2CC2)ncn1 ZINC000301840285 427828526 /nfs/dbraw/zinc/82/85/26/427828526.db2.gz XZVXHCVDHNKHMY-OAHLLOKOSA-N 2 0 303.454 2.609 20 0 DFADRP Cc1ccc(NC(=O)[C@H](C)N(C)CCC[NH+]2CCCC2)cc1F ZINC000337280425 427830047 /nfs/dbraw/zinc/83/00/47/427830047.db2.gz VEIBUGLZUVWRIX-HNNXBMFYSA-N 2 0 321.440 2.879 20 0 DFADRP CC(C)[NH+]1CCN(CCC[NH2+][C@@H](c2cccnc2)C2CC2)CC1 ZINC000337312302 427838512 /nfs/dbraw/zinc/83/85/12/427838512.db2.gz FCJMALFGJCLRBO-LJQANCHMSA-N 2 0 316.493 2.538 20 0 DFADRP CC(C)[NH+]1CCN(CCC[NH2+][C@H](c2cccnc2)C2CC2)CC1 ZINC000337312301 427838759 /nfs/dbraw/zinc/83/87/59/427838759.db2.gz FCJMALFGJCLRBO-IBGZPJMESA-N 2 0 316.493 2.538 20 0 DFADRP CC[NH+](CC)CCOCC[NH2+][C@@H](C)c1ccc(F)cc1F ZINC000349673443 427840656 /nfs/dbraw/zinc/84/06/56/427840656.db2.gz YDJGZAFNMTWTFV-ZDUSSCGKSA-N 2 0 300.393 2.974 20 0 DFADRP CC(C)[N@H+](CCCN1CC[NH+](C(C)C)CC1)Cc1ccco1 ZINC000337322426 427842986 /nfs/dbraw/zinc/84/29/86/427842986.db2.gz DAYWBAVEZPFGKK-UHFFFAOYSA-N 2 0 307.482 2.906 20 0 DFADRP Cc1nc([C@@H](C)[NH2+]CCCN2CC[NH+](C(C)C)CC2)cs1 ZINC000337328259 427845296 /nfs/dbraw/zinc/84/52/96/427845296.db2.gz YIKRCPWBNMVNOR-CQSZACIVSA-N 2 0 310.511 2.518 20 0 DFADRP c1ccc(C[N@@H+]2CC[C@@H](N3CCC[C@@H]([NH+]4CCCC4)C3)C2)cc1 ZINC000355686048 427847825 /nfs/dbraw/zinc/84/78/25/427847825.db2.gz YSMQEZNTXVTMAI-WOJBJXKFSA-N 2 0 313.489 2.821 20 0 DFADRP CC(C)[NH+](CCNC(=O)[C@@H](C)[N@H+](C)Cc1ccccc1)C(C)C ZINC000345664817 427850478 /nfs/dbraw/zinc/85/04/78/427850478.db2.gz OHRAAVSHROXINN-QGZVFWFLSA-N 2 0 319.493 2.742 20 0 DFADRP CC(C)[C@H](Cn1cccn1)[NH2+]CCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000340472562 427855970 /nfs/dbraw/zinc/85/59/70/427855970.db2.gz DMHYPZSNXPKASF-KURKYZTESA-N 2 0 306.498 2.865 20 0 DFADRP CCOc1cc(C[N@@H+]2CC[C@H](Oc3ccncc3)C2)ccc1O ZINC000340576070 427882697 /nfs/dbraw/zinc/88/26/97/427882697.db2.gz JWEIKSKTFOZLBG-INIZCTEOSA-N 2 0 314.385 2.839 20 0 DFADRP Cc1ccc([C@@H](O)C[N@@H+]2CC[C@H](C[NH+]3CCCCC3)C2)cc1 ZINC000304291396 427925703 /nfs/dbraw/zinc/92/57/03/427925703.db2.gz CNIDQMZZDSDPIK-MJGOQNOKSA-N 2 0 302.462 2.836 20 0 DFADRP C[C@@H]1CCCC[N@@H+]1CCCCNc1cc(NCC2CC2)ncn1 ZINC000340013665 427900990 /nfs/dbraw/zinc/90/09/90/427900990.db2.gz AZVYQGCDLBFEFJ-OAHLLOKOSA-N 2 0 317.481 3.365 20 0 DFADRP CCCC[C@@H](C)C(=O)N(CC[NH+](C)C)C[C@H]1CCC[N@@H+]1CC ZINC000337485324 427926417 /nfs/dbraw/zinc/92/64/17/427926417.db2.gz YUCLZOCBAVEVEM-IAGOWNOFSA-N 2 0 311.514 2.687 20 0 DFADRP CC[NH+](CC)CC(=O)Nc1cccc(CC[N@H+](C)C2CC2)c1 ZINC000337482370 427926571 /nfs/dbraw/zinc/92/65/71/427926571.db2.gz XLJHKCPLUBYEHQ-UHFFFAOYSA-N 2 0 303.450 2.604 20 0 DFADRP Cc1ccc2c(c1)CC[N@@H+](CCCN1CC[NH+](C(C)C)CC1)C2 ZINC000337453134 427912607 /nfs/dbraw/zinc/91/26/07/427912607.db2.gz GIFBGEYIZSLRGA-UHFFFAOYSA-N 2 0 315.505 2.769 20 0 DFADRP Fc1ccc(/C=C\C[N@@H+]2CC[C@H](CN3CCOCC3)C2)c(F)c1 ZINC000349972422 427912928 /nfs/dbraw/zinc/91/29/28/427912928.db2.gz KCXBZODTYJGTHD-OYADATRGSA-N 2 0 322.399 2.632 20 0 DFADRP COC(C)(C)[C@H](C)[NH2+]Cc1ccc(OCCC[NH+](C)C)cc1 ZINC000340225734 427957872 /nfs/dbraw/zinc/95/78/72/427957872.db2.gz BYAMNSGXTFRNNV-HNNXBMFYSA-N 2 0 308.466 2.920 20 0 DFADRP CC[C@H](C(=O)N(CC)CCC[NH+](C)C)[N@H+](C)Cc1ccccc1 ZINC000355950586 427960496 /nfs/dbraw/zinc/96/04/96/427960496.db2.gz DQABWDQFLZKDRL-GOSISDBHSA-N 2 0 319.493 2.697 20 0 DFADRP NC(=O)[C@H]1CCC[N@H+](CCC[NH2+][C@H]2CCCCC23CCCC3)C1 ZINC000340228245 427960611 /nfs/dbraw/zinc/96/06/11/427960611.db2.gz JTZORCRZLCOAMO-IRXDYDNUSA-N 2 0 321.509 2.666 20 0 DFADRP C[C@@H]1[C@@H]([NH2+][C@@H]2CCN(C3CC3)C2)CCCN1Cc1ccccc1 ZINC000340235021 427960907 /nfs/dbraw/zinc/96/09/07/427960907.db2.gz JFHMNVITMQZBOG-POAQFYNOSA-N 2 0 313.489 2.866 20 0 DFADRP NC(=O)[C@H]1CCC[N@H+](CCC[NH2+][C@@H]2CCCCC23CCCC3)C1 ZINC000340228242 427961435 /nfs/dbraw/zinc/96/14/35/427961435.db2.gz JTZORCRZLCOAMO-DLBZAZTESA-N 2 0 321.509 2.666 20 0 DFADRP CCC(C)(C)[NH2+][C@H](C)C(=O)N(C)CC[N@H+](C)C1CCCCC1 ZINC000355954388 427962015 /nfs/dbraw/zinc/96/20/15/427962015.db2.gz MDSLRWWKFCGEJB-OAHLLOKOSA-N 2 0 311.514 2.876 20 0 DFADRP C[NH+](C)CC1CC[NH+]([C@H]2CCN(Cc3ccccc3)C2)CC1 ZINC000340277717 427973888 /nfs/dbraw/zinc/97/38/88/427973888.db2.gz CQXPCBQGNVZWLO-IBGZPJMESA-N 2 0 301.478 2.535 20 0 DFADRP COC1(C[NH2+]CC2CCN(c3cc[nH+]cc3)CC2)CCCC1 ZINC000359698201 427977204 /nfs/dbraw/zinc/97/72/04/427977204.db2.gz DVULMCDUAGUIOP-UHFFFAOYSA-N 2 0 303.450 2.847 20 0 DFADRP O[C@H](C[NH2+]C1CC[NH+](C2CCCC2)CC1)c1ccc(F)cc1 ZINC000305068450 427951229 /nfs/dbraw/zinc/95/12/29/427951229.db2.gz JZJMBNMOXLWBSJ-GOSISDBHSA-N 2 0 306.425 2.856 20 0 DFADRP C[N@@H+](Cc1cc(-n2ccnc2)cs1)CC1CC[NH+](C)CC1 ZINC000346142259 428033655 /nfs/dbraw/zinc/03/36/55/428033655.db2.gz OZGABEYFRXSMOO-UHFFFAOYSA-N 2 0 304.463 2.707 20 0 DFADRP C[N@@H+](Cc1cc(-n2ccnc2)cs1)C[C@H]1CCC[NH+](C)C1 ZINC000346142277 428034070 /nfs/dbraw/zinc/03/40/70/428034070.db2.gz PAUNZHBQIQHISR-AWEZNQCLSA-N 3 0 304.463 2.707 20 0 DFADRP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+]1CCC[C@H]2COCC[C@@H]21 ZINC000346166995 428048802 /nfs/dbraw/zinc/04/88/02/428048802.db2.gz JPVBIGAJFIBVHC-YJBOKZPZSA-N 2 0 312.417 2.577 20 0 DFADRP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3cc(-n4ccnc4)cs3)CC[C@H]21 ZINC000346170990 428050646 /nfs/dbraw/zinc/05/06/46/428050646.db2.gz NOAMEHLEBHYNIK-RHSMWYFYSA-N 2 0 316.474 2.850 20 0 DFADRP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3cc(-n4ccnc4)cs3)CC[C@@H]21 ZINC000346170989 428051490 /nfs/dbraw/zinc/05/14/90/428051490.db2.gz NOAMEHLEBHYNIK-PBHICJAKSA-N 2 0 316.474 2.850 20 0 DFADRP COc1cc(C[NH2+]C[C@H]2CCC[C@H]2N2CCOCC2)ccc1C ZINC000377085211 428055468 /nfs/dbraw/zinc/05/54/68/428055468.db2.gz XMOMFPGCONNRNX-QZTJIDSGSA-N 2 0 318.461 2.594 20 0 DFADRP Cc1nn(C(C)C)cc1C[N@@H+]1CCC[C@@H](Cc2nccn2C)C1 ZINC000377107911 428059960 /nfs/dbraw/zinc/05/99/60/428059960.db2.gz WRVNJHNIGYGPAN-INIZCTEOSA-N 2 0 315.465 2.961 20 0 DFADRP CC[C@H]([NH2+][C@@H]1CCCN(C)[C@H]1C)c1ccc(C(=O)OC)cc1 ZINC000340361994 427997950 /nfs/dbraw/zinc/99/79/50/427997950.db2.gz SMZOAMGZSKHXPB-RRQGHBQHSA-N 2 0 304.434 2.997 20 0 DFADRP CC[C@H]([NH2+][C@H]1CCCN(C)[C@@H]1C)c1ccc(C(=O)OC)cc1 ZINC000340361992 427999289 /nfs/dbraw/zinc/99/92/89/427999289.db2.gz SMZOAMGZSKHXPB-COXVUDFISA-N 2 0 304.434 2.997 20 0 DFADRP CCC[N@H+](CC)C[C@@H](C)NC(=O)[C@H](C)[NH+](C)Cc1ccccc1 ZINC000359775988 428015565 /nfs/dbraw/zinc/01/55/65/428015565.db2.gz VBOGLYXWGBWENK-SJORKVTESA-N 2 0 319.493 2.744 20 0 DFADRP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+]1CCS[C@@H](C)[C@H]1C ZINC000346219930 428077623 /nfs/dbraw/zinc/07/76/23/428077623.db2.gz NLBDBAOYRYYDTB-KGLIPLIRSA-N 2 0 302.447 2.902 20 0 DFADRP CC[N@H+](C)C[C@H]1CC[NH+](Cc2cc(-n3ccnc3)cs2)C1 ZINC000346225707 428081365 /nfs/dbraw/zinc/08/13/65/428081365.db2.gz SIXCVTCNIBQVKC-CQSZACIVSA-N 2 0 304.463 2.707 20 0 DFADRP CC(C)[C@@H](C(=O)Nc1cccc(CC[N@H+](C)C2CC2)c1)[NH+](C)C ZINC000341522949 428090577 /nfs/dbraw/zinc/09/05/77/428090577.db2.gz HHDCEWMLIIFXCG-SFHVURJKSA-N 2 0 317.477 2.848 20 0 DFADRP CCC[C@@H](C(=O)Nc1cccc(CC[N@H+](C)C2CC2)c1)[NH+](C)C ZINC000341538946 428096566 /nfs/dbraw/zinc/09/65/66/428096566.db2.gz YAMTZSYFIVNNHB-SFHVURJKSA-N 2 0 317.477 2.992 20 0 DFADRP CC(C)(C)[NH+]1CCC([NH2+]C[C@H](O)CCc2ccccc2)CC1 ZINC000346282127 428106898 /nfs/dbraw/zinc/10/68/98/428106898.db2.gz VRYBNEJXABZLNK-GOSISDBHSA-N 2 0 304.478 2.833 20 0 DFADRP C[NH+](C)CCc1ccc(NC(=O)[C@H]2C[C@H]3CCCC[N@@H+]3C2)cc1 ZINC000370008143 428109562 /nfs/dbraw/zinc/10/95/62/428109562.db2.gz HCSONFSJIAOXLG-FUHWJXTLSA-N 2 0 315.461 2.604 20 0 DFADRP C[NH+](C)Cc1cccc(NC(=O)[C@@H]2C[C@@H]3CCCC[N@@H+]3C2)c1 ZINC000370017839 428111047 /nfs/dbraw/zinc/11/10/47/428111047.db2.gz KYNJIHCJTCYRAH-WBVHZDCISA-N 2 0 301.434 2.561 20 0 DFADRP C[C@@H]([NH2+]C1(CO)CCCC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000360023649 428120795 /nfs/dbraw/zinc/12/07/95/428120795.db2.gz ZKXMTUWHZDHKJS-AEFFLSMTSA-N 2 0 302.462 2.792 20 0 DFADRP CO[C@H](C)C[N@H+](Cc1cn(-c2cc[nH+]cc2)nc1C)C(C)C ZINC000346195301 428064903 /nfs/dbraw/zinc/06/49/03/428064903.db2.gz HWVQGIOITKQMHD-CQSZACIVSA-N 2 0 302.422 2.821 20 0 DFADRP COc1cccc([C@H](C)[NH2+][C@@H]2CCN(C3CC[NH+](C)CC3)C2)c1 ZINC000370110579 428137213 /nfs/dbraw/zinc/13/72/13/428137213.db2.gz ISSBBPJGVUQIPJ-DOTOQJQBSA-N 2 0 317.477 2.514 20 0 DFADRP c1ccc(C[N@H+]2C[C@@H]3CC[C@H]([NH2+]CC[C@H]4CCOC4)[C@H]3C2)cc1 ZINC000346360633 428140932 /nfs/dbraw/zinc/14/09/32/428140932.db2.gz JGLAFRRCRFZMPF-MUGJNUQGSA-N 2 0 314.473 2.913 20 0 DFADRP C[C@@H]1C[N@H+](C)CC[C@H]1NC[C@H](C1CC1)[NH+](C)Cc1ccccc1 ZINC000360040344 428130145 /nfs/dbraw/zinc/13/01/45/428130145.db2.gz UHYJHXGWALZUCE-NSISKUIASA-N 2 0 315.505 2.827 20 0 DFADRP C[C@H]1CCC[C@@H]1CC(=O)N(CCC[NH+](C)C)CCC[NH+](C)C ZINC000346381072 428150114 /nfs/dbraw/zinc/15/01/14/428150114.db2.gz TVEJCCOOMJVPSO-DLBZAZTESA-N 2 0 311.514 2.545 20 0 DFADRP CCC[NH+]1CCN(C2CC[NH+](Cc3ccccc3F)CC2)CC1 ZINC000377593303 428165212 /nfs/dbraw/zinc/16/52/12/428165212.db2.gz NFKDMHGYQRQDHA-UHFFFAOYSA-N 2 0 319.468 2.818 20 0 DFADRP C[N@H+](CCSC(C)(C)C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000370286378 428177456 /nfs/dbraw/zinc/17/74/56/428177456.db2.gz VEJJZBBKPNJSBT-MRXNPFEDSA-N 2 0 313.555 2.618 20 0 DFADRP C[C@@H](C[NH+]1CCCCCC1)NC(=O)CC[C@H]1CCCC[N@@H+]1C ZINC000356434518 428177776 /nfs/dbraw/zinc/17/77/76/428177776.db2.gz NZRAYBSIMOOPSB-DLBZAZTESA-N 2 0 309.498 2.632 20 0 DFADRP C[C@H]([NH2+]CCN1CC[N@H+](C)C[C@H]1c1ccccc1)c1cccnc1 ZINC000370316266 428182373 /nfs/dbraw/zinc/18/23/73/428182373.db2.gz RYRHWVUGENLDCV-PXNSSMCTSA-N 2 0 324.472 2.721 20 0 DFADRP CN(Cc1ccc(F)nc1)C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1 ZINC000370409413 428205485 /nfs/dbraw/zinc/20/54/85/428205485.db2.gz FERXBSMAILMVJA-WMZOPIPTSA-N 2 0 314.408 2.741 20 0 DFADRP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]CC1(C)COC1 ZINC000346530066 428207597 /nfs/dbraw/zinc/20/75/97/428207597.db2.gz QOKMPHLTRYODOW-VQFNDLOPSA-N 2 0 302.462 2.769 20 0 DFADRP C[C@H]([NH2+]CC[C@@H]1CCC[N@H+](C)C1)c1ccccc1-n1ccnn1 ZINC000414168615 428222179 /nfs/dbraw/zinc/22/21/79/428222179.db2.gz AODBIGINGVXNLG-HOTGVXAUSA-N 2 0 313.449 2.650 20 0 DFADRP CCO[C@H]1C[C@@H]([NH2+]C2CC[NH+](C3CCC3)CC2)C12CCOCC2 ZINC000346574930 428225550 /nfs/dbraw/zinc/22/55/50/428225550.db2.gz QCUQSJNFORQPBX-MSOLQXFVSA-N 2 0 322.493 2.567 20 0 DFADRP C[C@H]([NH2+]CC[C@@H]1CCC[N@H+](C)C1)c1nc2ccccc2n1C ZINC000414184818 428227215 /nfs/dbraw/zinc/22/72/15/428227215.db2.gz OJMRJWOCEYEBQC-GJZGRUSLSA-N 2 0 300.450 2.956 20 0 DFADRP C[NH+](C)CC1CC[NH+](Cc2ccc(C(F)(F)F)cn2)CC1 ZINC000341845315 428227719 /nfs/dbraw/zinc/22/77/19/428227719.db2.gz CWXKEDJQWYIROV-UHFFFAOYSA-N 2 0 301.356 2.874 20 0 DFADRP COC(=O)c1csc([C@@H](C)[NH2+]CC[C@H]2CCC[N@H+](C)C2)c1 ZINC000414184676 428227721 /nfs/dbraw/zinc/22/77/21/428227721.db2.gz OCSCKBCIGRYGEN-CHWSQXEVSA-N 2 0 310.463 2.917 20 0 DFADRP COC[C@H]([NH2+]C1CC[NH+]([C@@H]2CCCC[C@@H]2C)CC1)[C@H]1CCCO1 ZINC000370533071 428233591 /nfs/dbraw/zinc/23/35/91/428233591.db2.gz IKRYPXQIMJFRMS-GDAAHCPNSA-N 2 0 324.509 2.813 20 0 DFADRP C[C@H]1CCN(C(=O)Nc2ccn3ccnc3c2)C[C@H]1n1ccnc1 ZINC000377820658 428235194 /nfs/dbraw/zinc/23/51/94/428235194.db2.gz GRRRYYNZMXZBSQ-DZGCQCFKSA-N 2 0 324.388 2.646 20 0 DFADRP CCO[C@H](CC[NH+](C)C)C[NH2+]C/C=C\c1ccc(F)c(F)c1 ZINC000352763105 428236239 /nfs/dbraw/zinc/23/62/39/428236239.db2.gz GRZSPRNTBLLTHF-IYKSTZQJSA-N 2 0 312.404 2.924 20 0 DFADRP C[C@@H]1CCN(C(=O)Nc2ccn3ccnc3c2)C[C@@H]1n1ccnc1 ZINC000377820659 428236794 /nfs/dbraw/zinc/23/67/94/428236794.db2.gz GRRRYYNZMXZBSQ-HIFRSBDPSA-N 2 0 324.388 2.646 20 0 DFADRP COCCN1CCC([NH2+]CCc2c[nH]c3cccc(C)c23)CC1 ZINC000360163990 428187933 /nfs/dbraw/zinc/18/79/33/428187933.db2.gz SQEPSJFUDDHRHB-UHFFFAOYSA-N 2 0 315.461 2.719 20 0 DFADRP CC[N@@H+]1CC[C@H](N(C)C(=O)c2cccc(C[NH+](C)C)c2)[C@@H](C)C1 ZINC000346481334 428188539 /nfs/dbraw/zinc/18/85/39/428188539.db2.gz GOFTUMCIJPOCHD-YJBOKZPZSA-N 2 0 317.477 2.551 20 0 DFADRP CC[C@@H]([NH2+]Cc1ccc(N2CC[NH+](C)CC2)nc1)[C@H]1CC1(C)C ZINC000414058984 428194789 /nfs/dbraw/zinc/19/47/89/428194789.db2.gz IDQSDNSTPHIURR-IAGOWNOFSA-N 2 0 316.493 2.748 20 0 DFADRP CC[C@H]([NH2+]Cc1cccnc1N1CC[NH+](C)CC1)[C@H]1CC1(C)C ZINC000414071895 428196270 /nfs/dbraw/zinc/19/62/70/428196270.db2.gz MCPHKMVFTGTWFT-SJORKVTESA-N 2 0 316.493 2.748 20 0 DFADRP COc1ccc(C[C@@H](C)[NH2+]C2CC[NH+](C3CCC3)CC2)cn1 ZINC000414066312 428196452 /nfs/dbraw/zinc/19/64/52/428196452.db2.gz HBDHKWFNUMLZIZ-CQSZACIVSA-N 2 0 303.450 2.628 20 0 DFADRP C[C@H]([NH2+]CCCN1CC[N@H+](C)C[C@@H]1c1ccccc1)[C@H]1C[C@H]1C ZINC000414066938 428196776 /nfs/dbraw/zinc/19/67/76/428196776.db2.gz PVMAYNLZMHXKCJ-LCLWPZTBSA-N 2 0 315.505 2.999 20 0 DFADRP COc1cccc(C[N@H+](C)C2CCN(c3cc[nH+]cc3)CC2)n1 ZINC000377696295 428200095 /nfs/dbraw/zinc/20/00/95/428200095.db2.gz HACOOXCMKULLSS-UHFFFAOYSA-N 2 0 312.417 2.586 20 0 DFADRP FC(F)(F)c1cscc1C[NH2+]CCCC[NH+]1CCOCC1 ZINC000352838381 428274286 /nfs/dbraw/zinc/27/42/86/428274286.db2.gz DSCWEBWLEJWFKX-UHFFFAOYSA-N 2 0 322.396 2.969 20 0 DFADRP Cc1nn(-c2ccc(F)cc2)c(C)c1C[N@H+]1C[C@H](C[NH3+])C[C@H]1C ZINC000346689739 428274336 /nfs/dbraw/zinc/27/43/36/428274336.db2.gz SOJZKRHCEXLHAY-DOMZBBRYSA-N 2 0 316.424 2.797 20 0 DFADRP COc1ccc(C[N@@H+]2C[C@@H](C[NH3+])C[C@H]2C)cc1OCC(C)C ZINC000346693593 428276521 /nfs/dbraw/zinc/27/65/21/428276521.db2.gz OEMUNAWQAVXPOA-GDBMZVCRSA-N 2 0 306.450 2.899 20 0 DFADRP C[C@@H]([NH3+])[C@H]1CC[N@H+](Cc2c[nH]nc2-c2ccc(Cl)cc2)C1 ZINC000346695077 428276892 /nfs/dbraw/zinc/27/68/92/428276892.db2.gz YDBLGJJMWMTTHG-YPMHNXCESA-N 2 0 304.825 2.899 20 0 DFADRP C[C@H]1C[C@@H](C[NH3+])C[N@@H+]1Cc1c[nH]nc1-c1ccc(Cl)cc1 ZINC000346692454 428277164 /nfs/dbraw/zinc/27/71/64/428277164.db2.gz ZAVQHQIIVZFSBX-RYUDHWBXSA-N 2 0 304.825 2.899 20 0 DFADRP C[C@H]1C[C@H](C[NH3+])C[N@@H+]1Cc1c[nH]nc1-c1ccc(Cl)cc1 ZINC000346692453 428278181 /nfs/dbraw/zinc/27/81/81/428278181.db2.gz ZAVQHQIIVZFSBX-NWDGAFQWSA-N 2 0 304.825 2.899 20 0 DFADRP CN(C)c1ncc(C[NH2+][C@H]2CC(C)(C)Oc3ccccc32)n1C ZINC000414376655 428278522 /nfs/dbraw/zinc/27/85/22/428278522.db2.gz IGCXZJAXDYPNAR-HNNXBMFYSA-N 2 0 314.433 2.878 20 0 DFADRP CCN1C[C@H](C)[C@H]([NH2+][C@H]2C[C@@H](C)N(Cc3ccccc3)C2)C1 ZINC000346699837 428280949 /nfs/dbraw/zinc/28/09/49/428280949.db2.gz DXAYTGDSYOYKCQ-OGWHTMIXSA-N 2 0 301.478 2.579 20 0 DFADRP Cc1ccsc1C[NH+]1CCC(CC[NH+]2CCOCC2)CC1 ZINC000352857974 428281345 /nfs/dbraw/zinc/28/13/45/428281345.db2.gz LVAUGVKOQGTUJB-UHFFFAOYSA-N 2 0 308.491 2.991 20 0 DFADRP CC[C@@H](C(=O)N[C@H](C)C[NH+](C)C(C)C)[N@H+](C)Cc1ccccc1 ZINC000356740891 428290025 /nfs/dbraw/zinc/29/00/25/428290025.db2.gz LEBAEJVFEXCJNU-AEFFLSMTSA-N 2 0 319.493 2.742 20 0 DFADRP C[C@H](F)CC[NH+]1CCN([C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000352882261 428293260 /nfs/dbraw/zinc/29/32/60/428293260.db2.gz GWOUHNWTVIJJIL-PKOBYXMFSA-N 2 0 319.468 2.627 20 0 DFADRP Cc1c(F)cccc1NC(=O)CC[N@@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000342080166 428295071 /nfs/dbraw/zinc/29/50/71/428295071.db2.gz FZTRCBAETDVRCI-SQWLQELKSA-N 2 0 319.424 2.522 20 0 DFADRP CCOc1cccc(C[NH+]2CCC(C[NH3+])CC2)c1OC(F)F ZINC000346628991 428247048 /nfs/dbraw/zinc/24/70/48/428247048.db2.gz BIYLLGGUNVUXNQ-UHFFFAOYSA-N 2 0 314.376 2.857 20 0 DFADRP C[C@@H]1C[C@H](NC[C@H]2CC[NH+](C)[C@@H]2c2cccs2)CC[N@@H+]1C ZINC000370620100 428254682 /nfs/dbraw/zinc/25/46/82/428254682.db2.gz KOMKAZMPNICXGC-ANQUJSFKSA-N 2 0 307.507 2.813 20 0 DFADRP CCCC[N@H+](C)CC1CCN(C(=O)C23CCC[NH+]2CCC3)CC1 ZINC000377899852 428258477 /nfs/dbraw/zinc/25/84/77/428258477.db2.gz NDRWLUFUGRTUSQ-UHFFFAOYSA-N 2 0 321.509 2.585 20 0 DFADRP Cc1cc(C[NH2+]CC2CC[NH+](Cc3cccs3)CC2)nn1C ZINC000414322370 428260910 /nfs/dbraw/zinc/26/09/10/428260910.db2.gz RZDMYCCPDQUFMS-UHFFFAOYSA-N 2 0 318.490 2.792 20 0 DFADRP Cc1occc1C[NH2+]Cc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC000414337001 428262054 /nfs/dbraw/zinc/26/20/54/428262054.db2.gz PNVPVTRYYBYAEI-UHFFFAOYSA-N 2 0 314.429 2.835 20 0 DFADRP CC[NH+](CC)CCOC1CC[NH+](Cc2cccc(C)n2)CC1 ZINC000342115061 428305464 /nfs/dbraw/zinc/30/54/64/428305464.db2.gz RKCBGJSRZVQTPF-UHFFFAOYSA-N 2 0 305.466 2.713 20 0 DFADRP CC1=C[C@H](C)C[C@H](C[N@@H+]2CCC[C@@H](CN3CC[NH+](C)CC3)C2)C1 ZINC000378126016 428315320 /nfs/dbraw/zinc/31/53/20/428315320.db2.gz AARGBPUSSBRYQQ-IHPCNDPISA-N 2 0 319.537 2.938 20 0 DFADRP CC[NH+]1CCN(c2ccccc2C[NH2+][C@H]2CS[C@@H](C)C2)CC1 ZINC000414502811 428322312 /nfs/dbraw/zinc/32/23/12/428322312.db2.gz VDMQOICCOFIFIF-DOTOQJQBSA-N 2 0 319.518 2.812 20 0 DFADRP C[C@H]([NH2+][C@H]1CCCN(C)[C@@H]1C)c1ccc(OCC[NH+](C)C)cc1 ZINC000346804832 428325342 /nfs/dbraw/zinc/32/53/42/428325342.db2.gz YFFWIWOAPVDYML-FCEWJHQRSA-N 2 0 319.493 2.760 20 0 DFADRP C[C@H]([NH2+]C[C@@H]1CCCN(Cc2cccnc2)C1)C1CCOCC1 ZINC000378169647 428325557 /nfs/dbraw/zinc/32/55/57/428325557.db2.gz PQMHVIGHNPAIDH-WMZOPIPTSA-N 2 0 317.477 2.698 20 0 DFADRP COC1(C)CC[NH+](C/C=C/C[NH+]2CCC(C)(OC)CC2)CC1 ZINC000342155414 428326390 /nfs/dbraw/zinc/32/63/90/428326390.db2.gz PLEVJQXWGGHJKX-AATRIKPKSA-N 2 0 310.482 2.544 20 0 DFADRP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](Cc3cnc(-c4ccccn4)s3)C[C@@H]21 ZINC000346816328 428329048 /nfs/dbraw/zinc/32/90/48/428329048.db2.gz AIEJYFCFJNLPND-VHDGCEQUSA-N 2 0 314.458 2.764 20 0 DFADRP FC(F)(F)CC[NH+]1CCC(N[C@@H]2CC[N@@H+]3CCCC[C@H]23)CC1 ZINC000356844009 428334214 /nfs/dbraw/zinc/33/42/14/428334214.db2.gz LYIPOGOZOBEQEA-HUUCEWRRSA-N 2 0 319.415 2.620 20 0 DFADRP C[N@@H+]1CCCC[C@H]1CC[NH+]1CCC(C(=O)N2CCCCC2)CC1 ZINC000356840252 428335379 /nfs/dbraw/zinc/33/53/79/428335379.db2.gz DNUHQVSLPPHHOA-SFHVURJKSA-N 2 0 321.509 2.585 20 0 DFADRP CCCOc1cc(C[N@@H+]2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)ccc1OC ZINC000346831311 428336179 /nfs/dbraw/zinc/33/61/79/428336179.db2.gz XRZZXDCILVAOIT-JYJNAYRXSA-N 2 0 304.434 2.653 20 0 DFADRP COc1cc(C[N@@H+]2C[C@H](C[NH3+])C[C@H]2C)c(SC)cc1OC ZINC000346832570 428337292 /nfs/dbraw/zinc/33/72/92/428337292.db2.gz LMEBZHQPNRDEON-NEPJUHHUSA-N 2 0 310.463 2.595 20 0 DFADRP CCOCc1cc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)ccc1OC ZINC000346844746 428342297 /nfs/dbraw/zinc/34/22/97/428342297.db2.gz JWHIPOSZAJCDDH-JQHSSLGASA-N 2 0 318.461 2.791 20 0 DFADRP c1cc2c(cc1[C@@H]1CCC[N@H+]1C[C@H]1CCC[NH2+]C1)OCCO2 ZINC000346852476 428345653 /nfs/dbraw/zinc/34/56/53/428345653.db2.gz RREIUBRDAFQSSR-HOCLYGCPSA-N 2 0 302.418 2.594 20 0 DFADRP C[N@@H+](Cc1ccccc1)CC1CC[NH+](C[C@H]2CCC[NH2+]C2)CC1 ZINC000346852483 428347042 /nfs/dbraw/zinc/34/70/42/428347042.db2.gz RTJJDYSNHXDUNU-FQEVSTJZSA-N 3 0 315.505 2.830 20 0 DFADRP CCN(CC)c1ncc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)s1 ZINC000346856843 428347118 /nfs/dbraw/zinc/34/71/18/428347118.db2.gz PRXWJCCCDPNLJX-CFVMTHIKSA-N 2 0 308.495 2.549 20 0 DFADRP C[N@@H+](Cc1ccccc1)CC1CC[NH+](C[C@@H]2CCC[NH2+]C2)CC1 ZINC000346852484 428347610 /nfs/dbraw/zinc/34/76/10/428347610.db2.gz RTJJDYSNHXDUNU-HXUWFJFHSA-N 3 0 315.505 2.830 20 0 DFADRP [NH3+][C@@H]1CC[C@H]2C[N@H+](Cc3cccc(OCc4ccccn4)c3)C[C@H]12 ZINC000346854216 428347909 /nfs/dbraw/zinc/34/79/09/428347909.db2.gz TZMKRQZENQVNRB-FFZOFVMBSA-N 2 0 323.440 2.830 20 0 DFADRP CCc1cccnc1[C@@H](C)[NH2+]CCCC[N@@H+]1CCC[C@@H]1CO ZINC000356887503 428350516 /nfs/dbraw/zinc/35/05/16/428350516.db2.gz YOWYGPGAWFLSJL-NVXWUHKLSA-N 2 0 305.466 2.532 20 0 DFADRP Cc1oc(-c2ccsc2)nc1CN1CC[C@@]2(CC[NH2+]C2)C1 ZINC000360567890 428352414 /nfs/dbraw/zinc/35/24/14/428352414.db2.gz HYOLFOBIFFWBTJ-MRXNPFEDSA-N 2 0 303.431 2.897 20 0 DFADRP COc1cccc(NC(=O)C[C@H](C)[NH2+][C@@H]2CCCC[C@H]2C[NH3+])c1 ZINC000414796642 428413935 /nfs/dbraw/zinc/41/39/35/428413935.db2.gz HXHAVLAZYOYHSQ-GRDNDAEWSA-N 2 0 319.449 2.519 20 0 DFADRP CCCOc1ccc(CN2CC[C@@H]3C[NH2+]C[C@H]3C2)cc1OC ZINC000357104498 428390699 /nfs/dbraw/zinc/39/06/99/428390699.db2.gz LDRTYEDBKVEKHW-CVEARBPZSA-N 2 0 304.434 2.525 20 0 DFADRP COC(=O)CCC[N@@H+](Cc1ccccc1)C[C@H]1CC[NH2+][C@H](C)C1 ZINC000414751329 428392400 /nfs/dbraw/zinc/39/24/00/428392400.db2.gz INMTYYYXZNMPIB-AEFFLSMTSA-N 2 0 318.461 2.830 20 0 DFADRP CCOC(=O)C1CCC([N@H+](CC)C[C@H]2CC[NH2+][C@@H](C)C2)CC1 ZINC000414747747 428392943 /nfs/dbraw/zinc/39/29/43/428392943.db2.gz SRJVEXROVMGFDK-JUVOFCAFSA-N 2 0 310.482 2.818 20 0 DFADRP CCC[N@@H+]1CCC[C@@H]1CNCc1cn(-c2cc[nH+]cc2)nc1C ZINC000353129268 428394104 /nfs/dbraw/zinc/39/41/04/428394104.db2.gz SXXHUGPQCOCZED-GOSISDBHSA-N 2 0 313.449 2.540 20 0 DFADRP C[C@@H]1C[C@H](C[N@H+](CCc2ccccn2)Cc2cccnc2)CC[NH2+]1 ZINC000414761076 428395723 /nfs/dbraw/zinc/39/57/23/428395723.db2.gz ZZWGUEUMANUAMT-QZTJIDSGSA-N 2 0 324.472 2.909 20 0 DFADRP C[C@@H]1CCc2nc(C[N@H+]3CC[C@H]4C[NH2+]C[C@H]4CC3)sc2C1 ZINC000414763384 428399040 /nfs/dbraw/zinc/39/90/40/428399040.db2.gz BTMGOCYELCFFGU-MCIONIFRSA-N 2 0 305.491 2.699 20 0 DFADRP Cc1ccc(NC(=O)C[C@@H](C)[NH2+]C2CC[NH2+]CC2)c(Cl)c1 ZINC000414773890 428399800 /nfs/dbraw/zinc/39/98/00/428399800.db2.gz AGFBSDOAMKZNLB-GFCCVEGCSA-N 2 0 309.841 2.707 20 0 DFADRP FC(F)COc1ccc(C[N@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)cc1 ZINC000414775089 428401308 /nfs/dbraw/zinc/40/13/08/428401308.db2.gz ZGSKTFHHVZXOLI-GASCZTMLSA-N 2 0 310.388 2.762 20 0 DFADRP CC(C)([NH3+])CN1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000346998925 428403094 /nfs/dbraw/zinc/40/30/94/428403094.db2.gz YMQNIQSUQNONAV-QZTJIDSGSA-N 2 0 301.478 2.710 20 0 DFADRP C[C@@H]1CC[C@H]1[NH2+]Cc1c(Cl)cccc1N1CC[NH+](C)CC1 ZINC000353146539 428403848 /nfs/dbraw/zinc/40/38/48/428403848.db2.gz XZFGZNDHFMDGNS-CZUORRHYSA-N 2 0 307.869 2.980 20 0 DFADRP C[C@H]([NH2+]C[C@@H]1CCCN(C)[C@@H]1c1cnn(C)c1)c1ccccn1 ZINC000378470551 428404357 /nfs/dbraw/zinc/40/43/57/428404357.db2.gz BXXGJKHUUFFWDP-MPGHIAIKSA-N 2 0 313.449 2.549 20 0 DFADRP c1nn(Cc2ccccc2)cc1C[N@@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000414780634 428404855 /nfs/dbraw/zinc/40/48/55/428404855.db2.gz LUKJVLCUHONJQC-UXHICEINSA-N 2 0 324.472 2.753 20 0 DFADRP CC(C)c1ccc(C[N@@H+]2C[C@@H](C[NH3+])C3(C2)CCOCC3)cc1 ZINC000414785201 428407203 /nfs/dbraw/zinc/40/72/03/428407203.db2.gz JIYFRJPXPBUOGN-GOSISDBHSA-N 2 0 302.462 2.997 20 0 DFADRP c1ccc(CC[C@@H]2CCC[C@H]2[NH2+]CCCN2CC[NH2+]CC2)cc1 ZINC000414782285 428408191 /nfs/dbraw/zinc/40/81/91/428408191.db2.gz OMDBMDZXTAJBKD-VQTJNVASSA-N 2 0 315.505 2.673 20 0 DFADRP c1[nH]nc(-c2ccccc2)c1C[N@@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000414789762 428409669 /nfs/dbraw/zinc/40/96/69/428409669.db2.gz YWMVEBRSIVIUMJ-SJORKVTESA-N 2 0 310.445 2.898 20 0 DFADRP CCC(C)(C)[NH2+][C@H](C)C(=O)NC[C@H]1CCC[N@H+](CC(C)C)C1 ZINC000357151183 428410406 /nfs/dbraw/zinc/41/04/06/428410406.db2.gz SLUGXNCEPBAIHU-HZPDHXFCSA-N 2 0 311.514 2.637 20 0 DFADRP CC[C@@H](C[N@@H+]1C[C@@H](C[NH3+])C2(C1)CCOCC2)c1ccccc1 ZINC000414786288 428411082 /nfs/dbraw/zinc/41/10/82/428411082.db2.gz UMRZBGBLBPWKOV-FUHWJXTLSA-N 2 0 302.462 2.868 20 0 DFADRP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(Oc2cnccn2)cc1 ZINC000414792949 428413093 /nfs/dbraw/zinc/41/30/93/428413093.db2.gz CUFUQGKDVXBWRP-DOTOQJQBSA-N 2 0 312.417 2.876 20 0 DFADRP CC[NH+]1CCN(c2ccccc2C[NH2+][C@@H]2C[C@@H]2C(F)F)CC1 ZINC000342224678 428357958 /nfs/dbraw/zinc/35/79/58/428357958.db2.gz JBHBXWYJZNPRRC-LSDHHAIUSA-N 2 0 309.404 2.572 20 0 DFADRP CO[C@H]1CCN(Cc2ccc(C(F)(F)F)c(C)c2)[C@H](C[NH3+])C1 ZINC000414655624 428365104 /nfs/dbraw/zinc/36/51/04/428365104.db2.gz DMFIUJFMTVNZQB-KBPBESRZSA-N 2 0 316.367 2.952 20 0 DFADRP C[C@@H](c1ccc(-n2cncn2)cc1)[N@H+](C)C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000414674463 428369453 /nfs/dbraw/zinc/36/94/53/428369453.db2.gz SAZIGPOVYFUIDD-OWCLPIDISA-N 2 0 313.449 2.648 20 0 DFADRP C[N@H+](Cc1ccccc1)CC(C)(C)C[NH2+]C[C@H](CO)C1CC1 ZINC000353059683 428372598 /nfs/dbraw/zinc/37/25/98/428372598.db2.gz HQDDBKCMMRUFBD-GOSISDBHSA-N 2 0 304.478 2.753 20 0 DFADRP COC(=O)[C@H](C)C[N@@H+](Cc1ccccc1)C[C@H]1CC[NH2+][C@H](C)C1 ZINC000414676043 428373315 /nfs/dbraw/zinc/37/33/15/428373315.db2.gz MTPNIUIEMABPTO-NUJGCVRESA-N 2 0 318.461 2.686 20 0 DFADRP CCC[N@H+](CC)C[C@H](C)NCc1cn(-c2cc[nH+]cc2)nc1C ZINC000353068936 428373418 /nfs/dbraw/zinc/37/34/18/428373418.db2.gz FGNQTRCRMDCGJF-HNNXBMFYSA-N 2 0 315.465 2.786 20 0 DFADRP CSc1ccc(C[N@@H+]2C[C@@H](C[NH3+])C3(C2)CCOCC3)cc1 ZINC000414791843 428413493 /nfs/dbraw/zinc/41/34/93/428413493.db2.gz RLCJVAZBCPCENA-OAHLLOKOSA-N 2 0 306.475 2.596 20 0 DFADRP Cc1cc(C)c(NC(=O)C[N@@H+](C)C[C@@H]2CC[NH2+][C@@H](C)C2)c(C)c1 ZINC000414675775 428373794 /nfs/dbraw/zinc/37/37/94/428373794.db2.gz MMZAUESVNINGBE-DLBZAZTESA-N 2 0 317.477 2.870 20 0 DFADRP Cc1cc(C)c(NC(=O)C[N@@H+](C)C[C@H]2CC[NH2+][C@H](C)C2)c(C)c1 ZINC000414675910 428374185 /nfs/dbraw/zinc/37/41/85/428374185.db2.gz MMZAUESVNINGBE-SJORKVTESA-N 2 0 317.477 2.870 20 0 DFADRP CC(C)[C@@H](c1ccccc1)[N@H+](C)C[C@@H]1CCCN(C(=O)C[NH3+])C1 ZINC000414688522 428375003 /nfs/dbraw/zinc/37/50/03/428375003.db2.gz DRDYLJGNVNKWLP-LPHOPBHVSA-N 2 0 317.477 2.513 20 0 DFADRP CCCCCC(=O)NC1CC[NH+](C[C@H]2CC[NH2+][C@@H](C)C2)CC1 ZINC000414688699 428376230 /nfs/dbraw/zinc/37/62/30/428376230.db2.gz DYANVBNWVYVZNP-HOTGVXAUSA-N 2 0 309.498 2.535 20 0 DFADRP Cc1cccc(NC[C@@H]2CC[N@@H+](C[C@H]3CC[NH2+][C@@H](C)C3)C2)n1 ZINC000414702474 428380411 /nfs/dbraw/zinc/38/04/11/428380411.db2.gz XHYJIQZFQQAGOW-ULQDDVLXSA-N 2 0 302.466 2.512 20 0 DFADRP CCC[N@H+](C[C@@H]1CC[NH2+][C@@H](C)C1)C[C@H]1COc2ccccc2O1 ZINC000414703728 428381161 /nfs/dbraw/zinc/38/11/61/428381161.db2.gz LVGJKELGKFQMBW-BBWFWOEESA-N 2 0 318.461 2.927 20 0 DFADRP C[C@H]1C[N@H+](CCCCC(F)(F)F)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000371301052 428381640 /nfs/dbraw/zinc/38/16/40/428381640.db2.gz CWZANTKCSRPXML-GJZGRUSLSA-N 2 0 321.431 2.677 20 0 DFADRP Cc1ccnc(OC2CC[NH+](C[C@H]3CC[NH2+][C@@H](C)C3)CC2)c1 ZINC000414704921 428381588 /nfs/dbraw/zinc/38/15/88/428381588.db2.gz DTCRDPVNQWFLCP-HOTGVXAUSA-N 2 0 303.450 2.621 20 0 DFADRP CCN(C[C@@H]1CC[N@H+](C[C@H]2CC[NH2+][C@@H](C)C2)C1)CC(F)(F)F ZINC000414711484 428382535 /nfs/dbraw/zinc/38/25/35/428382535.db2.gz SNFJZTPPOZBSAP-KKUMJFAQSA-N 2 0 321.431 2.581 20 0 DFADRP C[C@H]1C[C@H](CN(C)Cc2nc(C(F)(F)F)cs2)CC[NH2+]1 ZINC000414713719 428382666 /nfs/dbraw/zinc/38/26/66/428382666.db2.gz WQKCFPHJZGOUBZ-VHSXEESVSA-N 2 0 307.385 2.982 20 0 DFADRP C[C@@H]1C[C@@H](C[N@H+](CCc2ccccc2)[C@H]2CCOC2)CC[NH2+]1 ZINC000414714984 428384263 /nfs/dbraw/zinc/38/42/63/428384263.db2.gz WDXIMUJCAPGLOH-NEWSRXKRSA-N 2 0 302.462 2.708 20 0 DFADRP CC[NH+]1CCN(c2ccccc2C[NH2+][C@H]2CC[C@H](F)C2)CC1 ZINC000342291775 428387163 /nfs/dbraw/zinc/38/71/63/428387163.db2.gz NRSUTXZUVODMIY-IRXDYDNUSA-N 2 0 305.441 2.809 20 0 DFADRP CCn1cc(CN2C[C@@H]3C[N@H+](C)[C@@H](c4ccccc4)[C@H]3C2)cn1 ZINC000360776930 428434143 /nfs/dbraw/zinc/43/41/43/428434143.db2.gz ILQIUDOPRVLWRU-FHWLQOOXSA-N 2 0 310.445 2.638 20 0 DFADRP [NH3+]C[C@@H]1CC[N@H+](Cc2ccc(-n3cnc4ccccc43)cc2)C1 ZINC000347075958 428434927 /nfs/dbraw/zinc/43/49/27/428434927.db2.gz UVMGNEINHCSNFR-INIZCTEOSA-N 2 0 306.413 2.806 20 0 DFADRP C[NH2+]CCC[NH2+]C1CCN(Cc2c(F)cccc2Cl)CC1 ZINC000414858442 428435053 /nfs/dbraw/zinc/43/50/53/428435053.db2.gz JIHYQNFUEKIEJG-UHFFFAOYSA-N 2 0 313.848 2.643 20 0 DFADRP CN(c1ccccc1)c1ccc(C[NH2+]C[C@H]2CCC[NH2+]C2)cn1 ZINC000414859644 428436162 /nfs/dbraw/zinc/43/61/62/428436162.db2.gz UQHIWYGIRDHORR-INIZCTEOSA-N 2 0 310.445 2.939 20 0 DFADRP COCCOc1cccc(C[NH+]2CCC([C@@H]3CCC[NH2+]3)CC2)c1 ZINC000347089335 428439637 /nfs/dbraw/zinc/43/96/37/428439637.db2.gz DRZPEEDRYJEBCL-IBGZPJMESA-N 2 0 318.461 2.676 20 0 DFADRP CCOCc1cc(C[NH+]2CCC([C@H](C)[NH3+])CC2)ccc1OC ZINC000347088484 428439703 /nfs/dbraw/zinc/43/97/03/428439703.db2.gz FDJVWDZFHNBYHA-AWEZNQCLSA-N 2 0 306.450 2.791 20 0 DFADRP CCOc1cc(CN[C@H]2CCC[NH2+]C2)ccc1OC(F)F ZINC000414873232 428440917 /nfs/dbraw/zinc/44/09/17/428440917.db2.gz XKLIXMXSKAMVKU-LBPRGKRZSA-N 2 0 300.349 2.528 20 0 DFADRP CC(C)c1ccccc1NC(=O)C[C@@H](C)[NH2+]CC1([NH3+])CCC1 ZINC000414878682 428442258 /nfs/dbraw/zinc/44/22/58/428442258.db2.gz OPHWLQYHMGBWNH-CQSZACIVSA-N 2 0 303.450 2.998 20 0 DFADRP Cc1nn(-c2ccc(Cl)cc2)c(C)c1CN[C@H]1CCC[NH2+]C1 ZINC000414874237 428442347 /nfs/dbraw/zinc/44/23/47/428442347.db2.gz YXAURZSSLZUKDU-HNNXBMFYSA-N 2 0 318.852 2.984 20 0 DFADRP CSCC[C@H](CO)[NH2+][C@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000357238066 428447659 /nfs/dbraw/zinc/44/76/59/428447659.db2.gz PMSOBBIWVJAYDR-KBAYOESNSA-N 2 0 322.518 2.601 20 0 DFADRP C[C@@H](CC[NH3+])[NH2+]Cc1cc(Br)ccc1OC(F)F ZINC000414894733 428449595 /nfs/dbraw/zinc/44/95/95/428449595.db2.gz LLOLIHRWQONQQB-QMMMGPOBSA-N 2 0 323.181 2.877 20 0 DFADRP C[C@@]1(C[NH2+]Cc2c[nH]nc2-c2ccccc2F)CCC[NH2+]C1 ZINC000414896264 428449983 /nfs/dbraw/zinc/44/99/83/428449983.db2.gz BFQYNVJUCSCWIR-QGZVFWFLSA-N 2 0 302.397 2.695 20 0 DFADRP CC(C)([NH3+])CCC(=O)NC[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000379660173 428451213 /nfs/dbraw/zinc/45/12/13/428451213.db2.gz BUVLSGBPVLYSIV-KRWDZBQOSA-N 2 0 317.477 2.675 20 0 DFADRP C[C@@H]([NH3+])C1CC[NH+](Cc2c[nH]nc2-c2ccccc2F)CC1 ZINC000347117836 428453571 /nfs/dbraw/zinc/45/35/71/428453571.db2.gz XFOCDOLSCHDXMI-GFCCVEGCSA-N 2 0 302.397 2.775 20 0 DFADRP OCc1ccc(C[NH2+]C[C@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000380964547 428453671 /nfs/dbraw/zinc/45/36/71/428453671.db2.gz XZTBKYYVYZEXMY-HXUWFJFHSA-N 2 0 310.441 2.791 20 0 DFADRP [NH3+][C@@H]1CCC[C@@H](NC2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000414910477 428453730 /nfs/dbraw/zinc/45/37/30/428453730.db2.gz CWVVMCQWEUXFCP-IEBWSBKVSA-N 3 0 301.478 2.553 20 0 DFADRP CC1(C[NH2+]Cc2cc(Cl)c3c(c2)OCCCO3)CC[NH2+]CC1 ZINC000414913839 428454078 /nfs/dbraw/zinc/45/40/78/428454078.db2.gz XBDBSENXZKBKLB-UHFFFAOYSA-N 2 0 324.852 2.981 20 0 DFADRP C[C@@H]([NH2+]CC(C)(C)N1CC[NH+](C)CC1)[C@H]1CC2CCC1CC2 ZINC000381721927 428454682 /nfs/dbraw/zinc/45/46/82/428454682.db2.gz RRBODBCIFQVVRA-AQEOSJORSA-N 2 0 307.526 2.817 20 0 DFADRP CC(=O)Nc1ccc(C[N@@H+]2CCC[C@H]([C@H]3CCC[NH2+]3)C2)cc1 ZINC000386768831 428460283 /nfs/dbraw/zinc/46/02/83/428460283.db2.gz HHJVVQSPBHAAPC-FUHWJXTLSA-N 2 0 301.434 2.609 20 0 DFADRP [NH3+][C@@H]1CCC[C@@H]([NH2+]Cc2ccccc2OCC(F)(F)F)C1 ZINC000414929800 428460955 /nfs/dbraw/zinc/46/09/55/428460955.db2.gz SCQLTHNRTUEINI-CHWSQXEVSA-N 2 0 302.340 2.987 20 0 DFADRP CC[NH+](CC)Cc1ccc(CNC(=O)[C@H]2CCC[C@H]2C[NH3+])cc1 ZINC000390176323 428470745 /nfs/dbraw/zinc/47/07/45/428470745.db2.gz BFGKACGCAWXEEG-ROUUACIJSA-N 2 0 317.477 2.520 20 0 DFADRP Cc1ccc(NC(=O)C[C@H](C)[NH2+][C@H]2CC[NH2+]C[C@H]2C)c(Cl)c1 ZINC000414940898 428462398 /nfs/dbraw/zinc/46/23/98/428462398.db2.gz KZBQVRNORHGXJW-IPYPFGDCSA-N 2 0 323.868 2.953 20 0 DFADRP Cc1ccc(Cl)cc1NC(=O)C[C@H](C)[NH2+][C@H]1CC[NH2+]C[C@@H]1C ZINC000414945543 428464546 /nfs/dbraw/zinc/46/45/46/428464546.db2.gz RUQURMMYKLQPFK-YDHLFZDLSA-N 2 0 323.868 2.953 20 0 DFADRP CC[C@H](Cc1ccc(OC)c(OC)c1)[NH2+][C@@H]1CC[NH2+]C[C@@H]1C ZINC000414947228 428464947 /nfs/dbraw/zinc/46/49/47/428464947.db2.gz VSWWFHDFDMHZJM-NUEKZKHPSA-N 2 0 306.450 2.613 20 0 DFADRP CCCOc1ccc(C[NH+]2CCC(C[NH2+]C)CC2)cc1OC ZINC000347140062 428466152 /nfs/dbraw/zinc/46/61/52/428466152.db2.gz WAQZKDYYWIWEPS-UHFFFAOYSA-N 2 0 306.450 2.915 20 0 DFADRP C[C@@H]1C[C@H](N[C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)CC[NH2+]1 ZINC000414944852 428467195 /nfs/dbraw/zinc/46/71/95/428467195.db2.gz HLGSNUWDFIJJNK-JFRXWTBNSA-N 2 0 301.478 2.770 20 0 DFADRP C[C@H]([NH2+]CCCC[NH+](C)C)c1ccc(-n2cncn2)cc1Cl ZINC000360863161 428469131 /nfs/dbraw/zinc/46/91/31/428469131.db2.gz ZMXCSCRRUBDFPF-ZDUSSCGKSA-N 2 0 321.856 2.913 20 0 DFADRP Cn1c2ccc(Cl)cc2nc1C[NH2+][C@H]1CCCC[C@H]1C[NH3+] ZINC000414798482 428416287 /nfs/dbraw/zinc/41/62/87/428416287.db2.gz JIAAXOJHDUCAMA-AAEUAGOBSA-N 2 0 306.841 2.834 20 0 DFADRP C[C@H](c1ccccc1)N1CC[C@H]([NH2+][C@@H]2CCCC[C@@H]2C[NH3+])C1 ZINC000414801718 428416767 /nfs/dbraw/zinc/41/67/67/428416767.db2.gz MALHTLCXXILLCN-OQIJWPOYSA-N 2 0 301.478 2.929 20 0 DFADRP CCCC[C@@H](C[NH3+])NC1CC[NH+](CCc2ccccc2)CC1 ZINC000414808236 428418106 /nfs/dbraw/zinc/41/81/06/428418106.db2.gz DXDXYNDHZHMUEL-IBGZPJMESA-N 2 0 303.494 2.801 20 0 DFADRP CCCC[C@H](C[NH3+])NCc1nc2c(s1)C[N@@H+](C(C)C)CC2 ZINC000414806340 428419304 /nfs/dbraw/zinc/41/93/04/428419304.db2.gz BMBZUHTVEGMDNO-CYBMUJFWSA-N 2 0 310.511 2.517 20 0 DFADRP c1cnn(-c2cccc(C[NH+]3CCC([C@H]4CCC[NH2+]4)CC3)c2)c1 ZINC000347050712 428423938 /nfs/dbraw/zinc/42/39/38/428423938.db2.gz RCZWFGHFHRVGAY-LJQANCHMSA-N 2 0 310.445 2.836 20 0 DFADRP C[N@H+](CC[C@H]1CCC[NH+]1C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000378547891 428424105 /nfs/dbraw/zinc/42/41/05/428424105.db2.gz JLFDBFKLKQPWSP-GOSISDBHSA-N 3 0 316.493 2.714 20 0 DFADRP COc1ccc(Br)c(C[NH2+]CC[C@H]2CC[NH2+]C2)c1 ZINC000414825471 428425414 /nfs/dbraw/zinc/42/54/14/428425414.db2.gz CGOKDKAYXIQYFF-LLVKDONJSA-N 2 0 313.239 2.547 20 0 DFADRP [NH3+]C1(CNC2CC[NH+](CCc3ccccc3)CC2)CCCCC1 ZINC000414835067 428427728 /nfs/dbraw/zinc/42/77/28/428427728.db2.gz CVTFZWCPQNTDMX-UHFFFAOYSA-N 2 0 315.505 2.945 20 0 DFADRP COc1cc(Br)ccc1C[NH2+]CC[C@H]1CC[NH2+]C1 ZINC000414829887 428428319 /nfs/dbraw/zinc/42/83/19/428428319.db2.gz LHXIHORVCGVUDM-LLVKDONJSA-N 2 0 313.239 2.547 20 0 DFADRP Cc1ccc(NC(=O)C[C@@H](C)[NH2+]CC[C@@H]2CC[NH2+]C2)c(Cl)c1 ZINC000414842968 428429129 /nfs/dbraw/zinc/42/91/29/428429129.db2.gz ZWRMXJHIZQWLBN-KGLIPLIRSA-N 2 0 323.868 2.955 20 0 DFADRP CCCCOc1cc(C[NH2+]C[C@@H]2CCC[NH2+]C2)ccc1OC ZINC000414836223 428429568 /nfs/dbraw/zinc/42/95/68/428429568.db2.gz UPMXIRLIOBGTNK-MRXNPFEDSA-N 2 0 306.450 2.963 20 0 DFADRP C[N@H+](Cc1ccccc1)CC(C)(C)CNC[C@@H]1CCC[NH2+]C1 ZINC000414838615 428430302 /nfs/dbraw/zinc/43/03/02/428430302.db2.gz XBINYFHGVPXGJC-GOSISDBHSA-N 2 0 303.494 2.734 20 0 DFADRP C[C@@H]1CCC[C@H]([NH+]2CCC(NC3C[C@H]4CC[C@@H](C3)[NH2+]4)CC2)C1 ZINC000414840312 428430620 /nfs/dbraw/zinc/43/06/20/428430620.db2.gz YOERATCQGGRDBB-NYJIRUKSSA-N 2 0 305.510 2.902 20 0 DFADRP C[NH2+]C[C@@H](C)C[NH2+][C@H](C)CC(=O)Nc1ccc(C)cc1Cl ZINC000414844438 428431312 /nfs/dbraw/zinc/43/13/12/428431312.db2.gz RJDXRSUSSAOSSO-CHWSQXEVSA-N 2 0 311.857 2.811 20 0 DFADRP OC[C@H]1CCCN1C[C@H]1CCC[N@@H+]1CCCCc1ccccc1 ZINC000372343175 428432751 /nfs/dbraw/zinc/43/27/51/428432751.db2.gz BOOKIEUTDNHMQR-WOJBJXKFSA-N 2 0 316.489 2.930 20 0 DFADRP COc1ccc(C)cc1C[NH2+]CC1(SC)CC[NH+](C)CC1 ZINC000353215553 428433173 /nfs/dbraw/zinc/43/31/73/428433173.db2.gz WNSOCYRJLSTKAD-UHFFFAOYSA-N 2 0 308.491 2.921 20 0 DFADRP C[C@H](c1ccccc1)N1CC[C@@H]([NH2+]CCC[C@@H]2CCC[NH2+]2)C1 ZINC000414981473 428480473 /nfs/dbraw/zinc/48/04/73/428480473.db2.gz XPUXVPTVKFSUSI-NZSAHSFTSA-N 3 0 301.478 2.944 20 0 DFADRP CC[C@H]([NH3+])C[NH2+][C@@H](C)CC(=O)Nc1ccccc1C(F)(F)F ZINC000414984001 428480737 /nfs/dbraw/zinc/48/07/37/428480737.db2.gz FNOQCXQHRSVSMA-QWRGUYRKSA-N 2 0 317.355 2.749 20 0 DFADRP Fc1ccc(-n2cc(C[NH2+]CCC[C@@H]3CCC[NH2+]3)cn2)cc1 ZINC000414979126 428481076 /nfs/dbraw/zinc/48/10/76/428481076.db2.gz UZDJNHLHKAXMCR-MRXNPFEDSA-N 2 0 302.397 2.633 20 0 DFADRP CC[C@H]([NH3+])C[NH2+][C@@H](C)Cc1ccc(Br)cc1F ZINC000414996367 428483585 /nfs/dbraw/zinc/48/35/85/428483585.db2.gz XQNFAHCEJYJATF-CABZTGNLSA-N 2 0 303.219 2.846 20 0 DFADRP Cc1ccccc1-n1nccc1C[NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000415002852 428484457 /nfs/dbraw/zinc/48/44/57/428484457.db2.gz FALALGSTIVXKHQ-ZWKOTPCHSA-N 2 0 310.445 2.658 20 0 DFADRP CC(C)N1CCc2nc(C[NH2+]C[C@@H]3CCC[C@@H]([NH3+])C3)sc2C1 ZINC000415002336 428485042 /nfs/dbraw/zinc/48/50/42/428485042.db2.gz MBUBKHUVTGAQRK-ZIAGYGMSSA-N 2 0 322.522 2.517 20 0 DFADRP FC(F)(F)c1ncc(C[NH2+][C@@H]2C[C@H]2C2CC[NH2+]CC2)s1 ZINC000415011214 428488412 /nfs/dbraw/zinc/48/84/12/428488412.db2.gz QONYJRPDHQIUDK-WDEREUQCSA-N 2 0 305.369 2.640 20 0 DFADRP [NH3+][C@@H]1CCC[C@@H](C[NH2+]Cc2ccnn2-c2ccc(F)cc2)C1 ZINC000415008878 428488494 /nfs/dbraw/zinc/48/84/94/428488494.db2.gz STRDQGMLSLFPQS-UKRRQHHQSA-N 2 0 302.397 2.619 20 0 DFADRP Cc1nn(-c2cccc(F)c2)cc1C[NH2+][C@@H](C)CCCC[NH3+] ZINC000415020264 428490236 /nfs/dbraw/zinc/49/02/36/428490236.db2.gz WVSWLLYHIZUWFY-ZDUSSCGKSA-N 2 0 304.413 2.927 20 0 DFADRP Cc1[nH+]ccc(N2CCN(C[C@@H]3CCCC[N@H+]3C)CC2)c1Cl ZINC000357343186 428491024 /nfs/dbraw/zinc/49/10/24/428491024.db2.gz ZVEOQOOCMLGGOF-HNNXBMFYSA-N 2 0 322.884 2.650 20 0 DFADRP COc1cc(C)c(C[NH2+]C[C@H]2CC[C@H](C[NH3+])CC2)cc1OC ZINC000415019547 428491143 /nfs/dbraw/zinc/49/11/43/428491143.db2.gz FEYHJGYNHZPIHO-SHTZXODSSA-N 2 0 306.450 2.867 20 0 DFADRP COc1ccc(C[C@@H](C)[NH2+]C[C@H]2CC[C@H](C[NH3+])CC2)cc1OC ZINC000415027900 428492928 /nfs/dbraw/zinc/49/29/28/428492928.db2.gz XNHYRDCQIJTQSQ-BZUAXINKSA-N 2 0 320.477 2.990 20 0 DFADRP C[C@@H](Cc1ccc(C(F)(F)F)cc1)[NH2+]C[C@@H]1C[NH2+]CCCO1 ZINC000415029382 428493106 /nfs/dbraw/zinc/49/31/06/428493106.db2.gz AWFKKVRTURFDMR-WFASDCNBSA-N 2 0 316.367 2.605 20 0 DFADRP COc1ccc(Br)cc1C[NH2+][C@@H]1CC[C@H](C[NH3+])C1 ZINC000415028710 428494025 /nfs/dbraw/zinc/49/40/25/428494025.db2.gz DDHXDTJDAZGUJG-GXFFZTMASA-N 2 0 313.239 2.675 20 0 DFADRP [NH3+]C[C@@H]1CC[C@@H]([NH2+]Cc2ccc(Br)c(F)c2)C1 ZINC000415027025 428494326 /nfs/dbraw/zinc/49/43/26/428494326.db2.gz AQQWKCUPEIWRJX-MWLCHTKSSA-N 2 0 301.203 2.805 20 0 DFADRP COc1ccc(CC[N@@H+]2C[C@@H]3C[NH+]4CCCC[C@@H]4[C@H]3C2)cc1 ZINC000360927743 428494415 /nfs/dbraw/zinc/49/44/15/428494415.db2.gz PGZIEXDSKOHVNE-NZSAHSFTSA-N 2 0 300.446 2.654 20 0 DFADRP CCc1nn(C)c(CC)c1C[N@@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000415037621 428495306 /nfs/dbraw/zinc/49/53/06/428495306.db2.gz GWIYWSBUUGKYPW-KDOFPFPSSA-N 2 0 304.482 2.509 20 0 DFADRP [NH3+]C[C@H]1CC[C@H]([NH2+]Cc2ccc(OCc3ccncc3)cc2)C1 ZINC000415043873 428497915 /nfs/dbraw/zinc/49/79/15/428497915.db2.gz SDTXVZXDBWLJIX-ROUUACIJSA-N 2 0 311.429 2.878 20 0 DFADRP COc1cc(C)c(C[N@@H+]2CCCC[C@H]2[C@@H]2CC[NH2+]C2)cc1OC ZINC000415052257 428500228 /nfs/dbraw/zinc/50/02/28/428500228.db2.gz MZLMFEOIIJBLAL-WBVHZDCISA-N 2 0 318.461 2.976 20 0 DFADRP O=c1[nH]c2ccccc2cc1C[N@@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000415053658 428500396 /nfs/dbraw/zinc/50/03/96/428500396.db2.gz OZCYIRZPEAMJJY-YJBOKZPZSA-N 2 0 311.429 2.904 20 0 DFADRP [NH3+]CCCN(CC1CCCC1)C(=O)CC1(C[NH3+])CCCCC1 ZINC000357361104 428500500 /nfs/dbraw/zinc/50/05/00/428500500.db2.gz DTELBRHETJCMAL-UHFFFAOYSA-N 2 0 309.498 2.653 20 0 DFADRP C[C@H]1[NH2+]CCC[C@@H]1NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000396679597 428501128 /nfs/dbraw/zinc/50/11/28/428501128.db2.gz VJZJOCVVAYUGNQ-PANBIXPWSA-N 2 0 313.489 2.912 20 0 DFADRP C[C@@H](Cc1c(Cl)cccc1Cl)[NH2+]C[C@@H]1C[NH2+]CCCO1 ZINC000415048325 428501763 /nfs/dbraw/zinc/50/17/63/428501763.db2.gz XDHBQJFDZOGFPT-RYUDHWBXSA-N 2 0 317.260 2.893 20 0 DFADRP C[C@@H](c1ccccc1)[N@@H+]1CC[C@H](N2C[C@@H](C)[C@](C)(C[NH3+])C2)C1 ZINC000415059735 428503282 /nfs/dbraw/zinc/50/32/82/428503282.db2.gz YTKKBIKJGJTYNE-KCITZHQASA-N 2 0 301.478 2.739 20 0 DFADRP COc1cc(C[NH2+][C@H](C)CCCC[NH3+])cc(Cl)c1OC ZINC000415057921 428503876 /nfs/dbraw/zinc/50/38/76/428503876.db2.gz HNFOPKSXHPJOBO-LLVKDONJSA-N 2 0 300.830 2.964 20 0 DFADRP COc1ccc(CC[C@H](C)[N@@H+]2C[C@@H](C)[C@](C)(C[NH3+])C2)cc1O ZINC000415058442 428504671 /nfs/dbraw/zinc/50/46/71/428504671.db2.gz RRBUBWVACBYJEM-QWQRMKEZSA-N 2 0 306.450 2.639 20 0 DFADRP COc1ccc(C[N@@H+]2CCCC[C@H]2[C@@H]2CC[NH2+]C2)cc1OC ZINC000415057035 428504725 /nfs/dbraw/zinc/50/47/25/428504725.db2.gz SYTGHBBOAUABHK-CVEARBPZSA-N 2 0 304.434 2.668 20 0 DFADRP c1cnc2c(c1)cccc2C[NH2+]C1CCC([NH+]2CCNCC2)CC1 ZINC000415060436 428506982 /nfs/dbraw/zinc/50/69/82/428506982.db2.gz WUFFVWHIWWYWDJ-UHFFFAOYSA-N 2 0 324.472 2.541 20 0 DFADRP FC(F)(F)COc1ccc(C[NH2+]CCC[NH2+]C2CC2)cc1 ZINC000415064626 428507255 /nfs/dbraw/zinc/50/72/55/428507255.db2.gz DDDLXMFELMXANR-UHFFFAOYSA-N 2 0 302.340 2.859 20 0 DFADRP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](N[C@@H](C[NH3+])C2CCCC2)C1 ZINC000415064719 428507305 /nfs/dbraw/zinc/50/73/05/428507305.db2.gz LHENDIDPXOFDLG-LZQZEXGQSA-N 2 0 301.478 2.929 20 0 DFADRP C[C@@H]1C[C@@H](N[C@@H]2CCCC[NH2+]C2)CC[N@@H+]1Cc1ccccc1 ZINC000415067031 428510219 /nfs/dbraw/zinc/51/02/19/428510219.db2.gz JWOBYIQEBHPFGD-NZSAHSFTSA-N 2 0 301.478 2.771 20 0 DFADRP [NH3+]C[C@@H](NC1CC[NH+](Cc2ccccc2)CC1)C1CCCC1 ZINC000415067425 428510916 /nfs/dbraw/zinc/51/09/16/428510916.db2.gz PDYNMLNTBPSFQJ-LJQANCHMSA-N 2 0 301.478 2.758 20 0 DFADRP COc1ccccc1N1CCC([NH2+][C@@H](C)C[C@@H]2CCC[NH2+]2)CC1 ZINC000415077540 428511645 /nfs/dbraw/zinc/51/16/45/428511645.db2.gz FKAMPNGUKNVJAN-RDJZCZTQSA-N 2 0 317.477 2.784 20 0 DFADRP C[C@H]([NH2+][C@@H]1CCC[NH2+]CC1)c1cccc(N2CCCC2=O)c1 ZINC000415079488 428513071 /nfs/dbraw/zinc/51/30/71/428513071.db2.gz IBCOHSNFLGBEOB-GOEBONIOSA-N 2 0 301.434 2.606 20 0 DFADRP [NH3+]C1CCC([NH2+]CCCc2nc(-c3ccncc3)cs2)CC1 ZINC000415078211 428513509 /nfs/dbraw/zinc/51/35/09/428513509.db2.gz GABJGEAIDMDIGT-UHFFFAOYSA-N 2 0 316.474 2.997 20 0 DFADRP C[C@H]1C[C@H](C[NH2+]Cc2cccnc2OCC(F)(F)F)CC[NH2+]1 ZINC000415081655 428513828 /nfs/dbraw/zinc/51/38/28/428513828.db2.gz KRGLULDSLBFUBF-NWDGAFQWSA-N 2 0 317.355 2.500 20 0 DFADRP COc1ccccc1N1CCC([NH2+][C@H](C)C[C@H]2CCC[NH2+]2)CC1 ZINC000415077538 428513843 /nfs/dbraw/zinc/51/38/43/428513843.db2.gz FKAMPNGUKNVJAN-NVXWUHKLSA-N 2 0 317.477 2.784 20 0 DFADRP FC(F)(F)COc1ccc(C[NH2+]CC2CC[NH2+]CC2)cc1 ZINC000415090136 428514443 /nfs/dbraw/zinc/51/44/43/428514443.db2.gz XGAZQHSQZFMJCJ-UHFFFAOYSA-N 2 0 302.340 2.717 20 0 DFADRP CC1CC[NH+]([C@H](CNC2CC[NH2+]CC2)c2cccs2)CC1 ZINC000415084479 428514582 /nfs/dbraw/zinc/51/45/82/428514582.db2.gz OOPSTEMETAYAQG-MRXNPFEDSA-N 2 0 307.507 2.863 20 0 DFADRP C[C@@]1(C[NH2+]Cc2ccc(N3CCCCCC3)nc2)CC[NH2+]C1 ZINC000415089315 428514697 /nfs/dbraw/zinc/51/46/97/428514697.db2.gz WEKBAEAXJATZSK-GOSISDBHSA-N 2 0 302.466 2.551 20 0 DFADRP [NH3+][C@@H]1CCCO[C@@H]1C1CC[NH+](Cc2ccc3c(c2)CCC3)CC1 ZINC000415104132 428521847 /nfs/dbraw/zinc/52/18/47/428521847.db2.gz GOGOHFNRAQDQKF-WOJBJXKFSA-N 2 0 314.473 2.894 20 0 DFADRP C[C@H](Cc1ccccc1Br)[NH2+][C@@H](C)[C@@H]1CC[NH2+]C1 ZINC000415115311 428524521 /nfs/dbraw/zinc/52/45/21/428524521.db2.gz GXZPAHXQPDVPHB-MBNYWOFBSA-N 2 0 311.267 2.968 20 0 DFADRP [NH3+]C[C@H]1CN(Cc2cc(-c3ccccc3)cs2)CCCO1 ZINC000415118482 428526841 /nfs/dbraw/zinc/52/68/41/428526841.db2.gz YHLPQWAKLGXNGM-INIZCTEOSA-N 2 0 302.443 2.965 20 0 DFADRP C[C@H]([NH2+]CC1CC[NH2+]CC1)c1nc(-c2cccc(F)c2)no1 ZINC000415116106 428527078 /nfs/dbraw/zinc/52/70/78/428527078.db2.gz YZMSRKYQWONLRK-NSHDSACASA-N 2 0 304.369 2.526 20 0 DFADRP C[C@H](CC1CCOCC1)C[NH+]1CCC([C@H]2C[C@H]([NH3+])CCO2)CC1 ZINC000415123057 428528791 /nfs/dbraw/zinc/52/87/91/428528791.db2.gz KRZCXFHTUKZMSI-ATZDWAIDSA-N 2 0 324.509 2.658 20 0 DFADRP c1ccc([C@@H]2C[C@H](NC[C@H]3[NH2+]CCc4ccccc43)CC[NH2+]2)cc1 ZINC000414960674 428471794 /nfs/dbraw/zinc/47/17/94/428471794.db2.gz UKJORSXQDSDYDL-HLAWJBBLSA-N 2 0 321.468 2.956 20 0 DFADRP C[C@@H]1CCc2nc(CN(C)C3C[C@H]4CC[C@@H](C3)[NH2+]4)sc2C1 ZINC000347155511 428471909 /nfs/dbraw/zinc/47/19/09/428471909.db2.gz CWRGZRQIWHKPQU-HABKJSAYSA-N 2 0 305.491 2.983 20 0 DFADRP C[C@@H]1[NH2+]CCC[C@H]1NC1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000414955263 428473259 /nfs/dbraw/zinc/47/32/59/428473259.db2.gz ODLRCEIKJYEYNE-HNAYVOBHSA-N 2 0 319.468 2.563 20 0 DFADRP C[C@H]1C[NH2+]CC[C@@H]1NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000390623795 428473408 /nfs/dbraw/zinc/47/34/08/428473408.db2.gz CRXQRPNIGBONIC-VNVJMFPYSA-N 2 0 313.489 2.770 20 0 DFADRP C[C@H](NC[C@H]1CCC[N@@H+]1Cc1ccccc1)[C@@H]1CCCC[NH2+]1 ZINC000390551562 428474135 /nfs/dbraw/zinc/47/41/35/428474135.db2.gz CQNYNUHPGGPHCA-UHOSZYNNSA-N 2 0 301.478 2.771 20 0 DFADRP C[C@H]1C[NH2+]CC[C@@H]1[NH2+]Cc1ccc(OCC(F)(F)F)c(F)c1 ZINC000414966901 428474864 /nfs/dbraw/zinc/47/48/64/428474864.db2.gz WTNPVBPJKWIACZ-GWCFXTLKSA-N 2 0 320.330 2.854 20 0 DFADRP C[C@@H]1C[NH2+]CC[C@@H]1[NH2+]Cc1c[nH]nc1-c1ccc(Cl)cc1 ZINC000414963669 428475912 /nfs/dbraw/zinc/47/59/12/428475912.db2.gz ULCLYRJJTDEKQD-ABAIWWIYSA-N 2 0 304.825 2.818 20 0 DFADRP Fc1ccc(-n2nccc2C[NH2+]CCC[C@H]2CCC[NH2+]2)cc1 ZINC000414969177 428478125 /nfs/dbraw/zinc/47/81/25/428478125.db2.gz SJZMKBWYGWBLMK-HNNXBMFYSA-N 2 0 302.397 2.633 20 0 DFADRP C[C@@H](CC(=O)Nc1ccc(F)cc1)[NH2+]CCC[C@H]1CCC[NH2+]1 ZINC000414968442 428478231 /nfs/dbraw/zinc/47/82/31/428478231.db2.gz ICLYVJHPQHZROV-ZFWWWQNUSA-N 2 0 307.413 2.665 20 0 DFADRP O=C(CC[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1)Nc1ccccc1F ZINC000391142008 428478450 /nfs/dbraw/zinc/47/84/50/428478450.db2.gz SIPOOOZTSWAMGL-ZBFHGGJFSA-N 2 0 319.424 2.618 20 0 DFADRP C[NH2+]CC1CC[NH+](Cc2cccc(OC)c2OC(C)C)CC1 ZINC000347169736 428478740 /nfs/dbraw/zinc/47/87/40/428478740.db2.gz MNCJGDAUHKAAEE-UHFFFAOYSA-N 2 0 306.450 2.914 20 0 DFADRP C[NH2+]C[C@H]1CCCN(Cc2c(F)cccc2N2CCCC2)C1 ZINC000347166963 428478981 /nfs/dbraw/zinc/47/89/81/428478981.db2.gz LIMGQJUCQJEURU-OAHLLOKOSA-N 2 0 305.441 2.857 20 0 DFADRP C[N@@H+]1CCCC[C@H]1CCN1CC(C)(C)O[C@@]2(CCCOC2)C1 ZINC000361609176 428582233 /nfs/dbraw/zinc/58/22/33/428582233.db2.gz IOMKIECQUSUQSY-WMZOPIPTSA-N 2 0 310.482 2.521 20 0 DFADRP C[N@@H+]1CCCC[C@@H]1CCN1CC(C)(C)O[C@@]2(CCCOC2)C1 ZINC000361609173 428583365 /nfs/dbraw/zinc/58/33/65/428583365.db2.gz IOMKIECQUSUQSY-AEFFLSMTSA-N 2 0 310.482 2.521 20 0 DFADRP CC(=O)N1CCC[C@H](C[NH2+]C2CC[NH+](C3CCCCC3)CC2)C1 ZINC000373466596 428583542 /nfs/dbraw/zinc/58/35/42/428583542.db2.gz DDJWZIBPWXSPFN-QGZVFWFLSA-N 2 0 321.509 2.632 20 0 DFADRP CC[C@@H](C(=O)N1CCC(CCC[NH+](C)C)CC1)[NH+](CC)CC ZINC000347481267 428588508 /nfs/dbraw/zinc/58/85/08/428588508.db2.gz LJVUMGSBIHXCDL-KRWDZBQOSA-N 2 0 311.514 2.687 20 0 DFADRP CC1CC[NH+](C2CCC([NH2+][C@H]3CCN(C)C[C@H]3C)CC2)CC1 ZINC000358249986 428590850 /nfs/dbraw/zinc/59/08/50/428590850.db2.gz KOILYRAPPAHLRE-UGXKVIGPSA-N 2 0 307.526 2.959 20 0 DFADRP NC1(C[NH2+]Cc2ccsc2)CC[NH+](Cc2ccccc2)CC1 ZINC000415133161 428532467 /nfs/dbraw/zinc/53/24/67/428532467.db2.gz MOZODQKNCJLHGA-UHFFFAOYSA-N 2 0 315.486 2.831 20 0 DFADRP C[N@@H+]1CC[C@H]([NH2+][C@@H]2CCN(Cc3ccccc3)C2)[C@H]2CCC[C@H]21 ZINC000353432879 428532959 /nfs/dbraw/zinc/53/29/59/428532959.db2.gz DAUUGWIXTHOOLE-YSTOQKLRSA-N 2 0 313.489 2.723 20 0 DFADRP C[C@@H]1CC[C@H](NC2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C[NH2+]1 ZINC000399063193 428534161 /nfs/dbraw/zinc/53/41/61/428534161.db2.gz ZPIJLMAAJAMMDS-XAOHYQHJSA-N 2 0 313.489 2.912 20 0 DFADRP CCC[C@@H]([NH2+]C(C)C)C(=O)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000353436840 428534198 /nfs/dbraw/zinc/53/41/98/428534198.db2.gz ACEPFOFPVKFAOJ-IAGOWNOFSA-N 2 0 309.498 2.630 20 0 DFADRP CCc1ccc(C[NH+]2CCC([C@H]3OCCC[C@@H]3[NH3+])CC2)cc1 ZINC000415139416 428534334 /nfs/dbraw/zinc/53/43/34/428534334.db2.gz ZQJIREZIGSCFBR-RBUKOAKNSA-N 2 0 302.462 2.967 20 0 DFADRP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+](C(C)C)[C@@H]1CCOC1 ZINC000361081618 428536025 /nfs/dbraw/zinc/53/60/25/428536025.db2.gz MXCFRAKRWAPHKY-QGZVFWFLSA-N 2 0 300.406 2.575 20 0 DFADRP C[N@@H+]1CC[C@H]([NH2+]Cc2cccc(Cn3ccnc3)c2)[C@H]2CCC[C@@H]21 ZINC000353439348 428537038 /nfs/dbraw/zinc/53/70/38/428537038.db2.gz WRSLWCZLDRNOTQ-AABGKKOBSA-N 2 0 324.472 2.894 20 0 DFADRP CC[C@](C[NH2+][C@H](C)C[C@H]1CCC[NH2+]1)(C(=O)OC)c1ccccc1 ZINC000415146887 428537522 /nfs/dbraw/zinc/53/75/22/428537522.db2.gz ZKNQKCNLJXMJIW-SZVBFZGTSA-N 2 0 318.461 2.628 20 0 DFADRP c1oc2ccccc2c1C[N@@H+]1CC2(CC[NH2+]CC2)[C@@H]2COC[C@@H]21 ZINC000415145282 428538181 /nfs/dbraw/zinc/53/81/81/428538181.db2.gz WRMSEXOHCJMXJT-SJORKVTESA-N 2 0 312.413 2.633 20 0 DFADRP C[C@@H](C[N@@H+]1CC2(CC[NH2+]CC2)[C@@H]2COC[C@@H]21)c1ccc(F)cc1 ZINC000415140879 428538254 /nfs/dbraw/zinc/53/82/54/428538254.db2.gz NWRSWQMIWREHEO-QGTPRVQTSA-N 2 0 318.436 2.630 20 0 DFADRP C[NH+](C)[C@H](CN[C@@H]1CC[N@H+](C)[C@H]2CCC[C@@H]21)Cc1ccccc1 ZINC000353451536 428542688 /nfs/dbraw/zinc/54/26/88/428542688.db2.gz AGXSRLSDUHYKGL-NMLBUPMWSA-N 2 0 315.505 2.622 20 0 DFADRP C[C@@H](NCC1([N@H+](C)Cc2ccccc2)CCC1)[C@H]1CCC[NH2+]1 ZINC000400514517 428547221 /nfs/dbraw/zinc/54/72/21/428547221.db2.gz GCIRKPNSHMPPIB-SJLPKXTDSA-N 2 0 301.478 2.771 20 0 DFADRP Cc1ccc2[nH+]ccc(N3CC[C@H]([NH+]4CCOCC4)[C@@H]3C)c2c1 ZINC000357593607 428547417 /nfs/dbraw/zinc/54/74/17/428547417.db2.gz HPEDEFBJTBJINV-YJBOKZPZSA-N 2 0 311.429 2.843 20 0 DFADRP C[C@H]([NH2+]C[C@@H]1CCCCN1Cc1ccccc1)[C@@H]1CC[NH2+]C1 ZINC000400757437 428548971 /nfs/dbraw/zinc/54/89/71/428548971.db2.gz XIIYKCRLCURUST-UHOSZYNNSA-N 2 0 301.478 2.629 20 0 DFADRP C[C@H](C[NH2+]C[C@H](O)C[NH+]1CCC(C)CC1)Cc1ccccc1 ZINC000347334629 428550112 /nfs/dbraw/zinc/55/01/12/428550112.db2.gz RNICMNQDROLGJS-HKUYNNGSSA-N 2 0 304.478 2.548 20 0 DFADRP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)CN1Cc1ccccc1 ZINC000401172964 428550453 /nfs/dbraw/zinc/55/04/53/428550453.db2.gz XOIKXTLYLPASAH-RUGGUXRKSA-N 3 0 313.489 2.627 20 0 DFADRP Brc1sccc1C[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000401070451 428551677 /nfs/dbraw/zinc/55/16/77/428551677.db2.gz KCEZFJAFERBHJF-YUSALJHKSA-N 2 0 315.280 2.988 20 0 DFADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCN[C@@H]2CC[NH+](C)[C@@H]3CCC[C@@H]32)C1 ZINC000353465348 428552089 /nfs/dbraw/zinc/55/20/89/428552089.db2.gz SRQAWCXYPUCVRJ-RHQZKXFESA-N 2 0 307.526 2.817 20 0 DFADRP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)[C@H](N)c2ccccc2)C1 ZINC000353475950 428553834 /nfs/dbraw/zinc/55/38/34/428553834.db2.gz YECJUSSOFNBDHU-ATZDWAIDSA-N 2 0 323.440 2.638 20 0 DFADRP C[C@@H]1CN(Cc2ccccc2)C[C@@H]1[NH2+][C@@H](CO)C1CCCC1 ZINC000353476737 428553959 /nfs/dbraw/zinc/55/39/59/428553959.db2.gz ATWZXCQIVHKNDD-MNEFBYGVSA-N 2 0 302.462 2.648 20 0 DFADRP COC(=O)C[C@@H]1CC[C@H]([NH2+]C2CC[NH+](C3CCCC3)CC2)[C@@H]1C ZINC000373391410 428565009 /nfs/dbraw/zinc/56/50/09/428565009.db2.gz VSJMTVFLLOTACO-VKJFTORMSA-N 2 0 322.493 2.961 20 0 DFADRP C[N@@H+]1CC[C@H]([NH2+]CCN2CCc3sccc3C2)[C@H]2CCC[C@@H]21 ZINC000353501039 428566806 /nfs/dbraw/zinc/56/68/06/428566806.db2.gz HQHBDYYSQVWNPJ-IKGGRYGDSA-N 2 0 319.518 2.569 20 0 DFADRP CC[C@H](C[NH+]1CCC([N@H+](C)CCCO)CC1)c1ccccc1 ZINC000353503320 428567791 /nfs/dbraw/zinc/56/77/91/428567791.db2.gz IGOWALFMUMIGJV-QGZVFWFLSA-N 2 0 304.478 2.959 20 0 DFADRP CCOc1ccccc1OCC[N@@H+]1CCC[C@@H](C)[C@@H]1CC[NH3+] ZINC000404398774 428568096 /nfs/dbraw/zinc/56/80/96/428568096.db2.gz QBKXFLBRISRFQU-CVEARBPZSA-N 2 0 306.450 2.913 20 0 DFADRP C[C@@H]1C[C@@H]([NH2+][C@H]2CCn3ccnc3C2)CCN1Cc1ccccc1 ZINC000361455796 428571188 /nfs/dbraw/zinc/57/11/88/428571188.db2.gz FYRXCOFQWULQPP-NEWSRXKRSA-N 2 0 324.472 2.841 20 0 DFADRP C[C@@H]1C[C@H]([NH2+][C@H]2CCn3ccnc3C2)CCN1Cc1ccccc1 ZINC000361455799 428571453 /nfs/dbraw/zinc/57/14/53/428571453.db2.gz FYRXCOFQWULQPP-QRQLOZEOSA-N 2 0 324.472 2.841 20 0 DFADRP C[N@@H+]1CC[C@H](N[C@@H]2CC[NH+](CC3CCCC3)C2)[C@@H]2CCC[C@H]21 ZINC000353515266 428571826 /nfs/dbraw/zinc/57/18/26/428571826.db2.gz DGNLMMDKTKEXMB-YDZRNGNQSA-N 2 0 305.510 2.713 20 0 DFADRP C[N@@H+]1CC[C@H](NC2CC[NH+](C3CCCC3)CC2)[C@@H]2CCC[C@@H]21 ZINC000353514226 428572699 /nfs/dbraw/zinc/57/26/99/428572699.db2.gz BUDRJFKUCWOIJU-FHWLQOOXSA-N 3 0 305.510 2.856 20 0 DFADRP C[C@H]1C[N@H+](C)CC[C@H]1[NH2+]CC(C)(C)N1CCc2ccccc2C1 ZINC000358009120 428574616 /nfs/dbraw/zinc/57/46/16/428574616.db2.gz BPPMQLIUWKRFJI-QFBILLFUSA-N 2 0 315.505 2.753 20 0 DFADRP C[C@@H]1CCC[N@H+](Cc2cnn(Cc3ccccc3)c2)[C@@H]1CC[NH3+] ZINC000405216418 428576393 /nfs/dbraw/zinc/57/63/93/428576393.db2.gz KGRJPTOSJOTTGW-VQIMIIECSA-N 2 0 312.461 2.881 20 0 DFADRP C[N@H+](CC1CC1)C[C@H]1CC[NH+](C[C@@H](O)CCc2ccccc2)C1 ZINC000347436926 428576942 /nfs/dbraw/zinc/57/69/42/428576942.db2.gz KNQXOJPCJVLYGI-UXHICEINSA-N 2 0 316.489 2.644 20 0 DFADRP Cc1ccc(C[NH2+][C@@H]2CC[N@@H+](C[C@H]3CCCO3)C[C@H]2C)c(C)n1 ZINC000373447169 428579054 /nfs/dbraw/zinc/57/90/54/428579054.db2.gz HTXYBPWKXGPSJD-NIKGAXFTSA-N 2 0 317.477 2.677 20 0 DFADRP CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)[C@H]2CC[NH2+][C@H]2C(C)C)C1 ZINC000353526707 428579387 /nfs/dbraw/zinc/57/93/87/428579387.db2.gz RZYLJACTGVPNTB-IKGGRYGDSA-N 2 0 323.525 2.637 20 0 DFADRP C[C@H]1C[C@@H]1c1ccc(C[NH+]2CCC(OCC[NH+](C)C)CC2)o1 ZINC000353564527 428596419 /nfs/dbraw/zinc/59/64/19/428596419.db2.gz CSAQEACUONPNGE-YOEHRIQHSA-N 2 0 306.450 2.946 20 0 DFADRP CC(C)C[C@](C)(C[NH3+])NC(=O)Nc1ccccc1CC[NH+](C)C ZINC000415559842 428596470 /nfs/dbraw/zinc/59/64/70/428596470.db2.gz FHVICSJGESBSNG-GOSISDBHSA-N 2 0 320.481 2.676 20 0 DFADRP C[C@H]1CCC[N@H+](CCCCNC(=O)c2ccc3c(c2)C[NH2+]C3)C1 ZINC000347531639 428599523 /nfs/dbraw/zinc/59/95/23/428599523.db2.gz OIFPOPJSFGQHIX-HNNXBMFYSA-N 2 0 315.461 2.532 20 0 DFADRP C[NH2+]Cc1ccccc1NC(=O)NC[C@@H](C)[N@@H+]1CCCC[C@H]1C ZINC000415896631 428620149 /nfs/dbraw/zinc/62/01/49/428620149.db2.gz DRGFRAFZMOYBOV-HUUCEWRRSA-N 2 0 318.465 2.790 20 0 DFADRP CC[NH2+]Cc1cccc(NC(=O)N(C)[C@H]2CC[N@H+](C)[C@H](C)C2)c1 ZINC000415907123 428621951 /nfs/dbraw/zinc/62/19/51/428621951.db2.gz MODOEPYQSURERY-PBHICJAKSA-N 2 0 318.465 2.743 20 0 DFADRP CC[NH2+]Cc1cccc(NC(=O)N[C@@H]2C[N@@H+](C(C)C)C[C@@H]2C)c1 ZINC000415908493 428621978 /nfs/dbraw/zinc/62/19/78/428621978.db2.gz PQXDELFCXQDRMX-WMLDXEAASA-N 2 0 318.465 2.646 20 0 DFADRP CC[C@@H]1C[N@H+](CCCc2ccc(C)nc2)CCN1CC(F)F ZINC000353615878 428622606 /nfs/dbraw/zinc/62/26/06/428622606.db2.gz MMEFDCJZTXDNAN-MRXNPFEDSA-N 2 0 311.420 2.984 20 0 DFADRP CC[C@H]1CCCC[N@@H+]1CCNC(=O)Nc1ccccc1C[NH2+]C ZINC000415908617 428623020 /nfs/dbraw/zinc/62/30/20/428623020.db2.gz DNWMTLXOQOQLEW-INIZCTEOSA-N 2 0 318.465 2.792 20 0 DFADRP C[NH2+]Cc1ccccc1NC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000415913892 428623783 /nfs/dbraw/zinc/62/37/83/428623783.db2.gz SCZCTNIZOKCAHV-MQVJKMGUSA-N 2 0 316.449 2.543 20 0 DFADRP CSC1(C[NH2+][C@H]2CCCC23CCOCC3)CC[NH+](C)CC1 ZINC000353617706 428624056 /nfs/dbraw/zinc/62/40/56/428624056.db2.gz FATWHOYANVJIKK-HNNXBMFYSA-N 2 0 312.523 2.753 20 0 DFADRP CC[N@@H+]1CC[C@@H](N(C)C(=O)Nc2ccccc2C[NH2+]C)[C@H](C)C1 ZINC000415912462 428624811 /nfs/dbraw/zinc/62/48/11/428624811.db2.gz LITAQHJJXJLUJN-RHSMWYFYSA-N 2 0 318.465 2.600 20 0 DFADRP C[NH2+]Cc1cccc(NC(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)c1 ZINC000415919448 428626403 /nfs/dbraw/zinc/62/64/03/428626403.db2.gz NGBZLSVMLTVVHG-INIZCTEOSA-N 2 0 320.481 2.894 20 0 DFADRP CC[NH2+]Cc1cccc(NC(=O)N[C@@H](C)C2=CC[N@H+](C)CC2)c1 ZINC000415925263 428628053 /nfs/dbraw/zinc/62/80/53/428628053.db2.gz XJRIMGCPDIGJJN-AWEZNQCLSA-N 2 0 316.449 2.568 20 0 DFADRP CC[NH2+]Cc1ccccc1NC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000415937661 428630528 /nfs/dbraw/zinc/63/05/28/428630528.db2.gz YWINBTAGIOHQTP-MQVJKMGUSA-N 2 0 316.449 2.543 20 0 DFADRP CC(=O)N1CC[C@H]([NH2+][C@@H]2C[C@H](C)[N@@H+](C)C[C@@H]2C)c2ccccc21 ZINC000358352453 428595848 /nfs/dbraw/zinc/59/58/48/428595848.db2.gz JGDZVLGVFVVAFT-DFEHZGFQSA-N 2 0 315.461 2.803 20 0 DFADRP C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)Nc1ccc(C[NH3+])cc1 ZINC000415968022 428638158 /nfs/dbraw/zinc/63/81/58/428638158.db2.gz CAIRREJSNYVRGB-OKILXGFUSA-N 2 0 304.438 2.530 20 0 DFADRP C[NH2+]Cc1ccc(NC(=O)NC[C@H](C)[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000415969313 428638478 /nfs/dbraw/zinc/63/84/78/428638478.db2.gz FVBAIXCBSJWJAD-GJZGRUSLSA-N 2 0 318.465 2.648 20 0 DFADRP C[N@@H+]1CC[C@@H](NC(=O)Nc2ccc(C[NH3+])cc2)[C@@H]1c1ccccc1 ZINC000415965028 428638700 /nfs/dbraw/zinc/63/87/00/428638700.db2.gz XTASWUGMLMZVLH-MSOLQXFVSA-N 2 0 324.428 2.712 20 0 DFADRP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)Nc1ccc(C[NH2+]C)cc1 ZINC000415975513 428639787 /nfs/dbraw/zinc/63/97/87/428639787.db2.gz UCBSREDIQLFIHY-QGZVFWFLSA-N 2 0 318.465 2.792 20 0 DFADRP COCC[C@H](COC)[NH2+][C@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000353642425 428635240 /nfs/dbraw/zinc/63/52/40/428635240.db2.gz LMRBAWNAFDSOHJ-NZSAHSFTSA-N 2 0 320.477 2.538 20 0 DFADRP COc1ccc2c(c1)[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@H]3CCC[C@H]31)CCO2 ZINC000353680451 274138015 /nfs/dbraw/zinc/13/80/15/274138015.db2.gz JTEUCXXDNVCZRE-HPBDAGMYSA-N 2 0 316.445 2.981 20 0 DFADRP C[N@H+](Cc1ccccc1)CC(C)(C)CN1C[C@H]2CCC[NH2+][C@@H]2C1 ZINC000353673980 428652470 /nfs/dbraw/zinc/65/24/70/428652470.db2.gz QMMCEJWYGXXZIL-RTBURBONSA-N 2 0 315.505 2.828 20 0 DFADRP C[C@@H]([NH2+][C@@H]1Cc2ccccc2[C@@H]1O)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185716322 274260104 /nfs/dbraw/zinc/26/01/04/274260104.db2.gz HMFHDOJPXZBETO-NVRFMJDISA-N 2 0 314.473 2.887 20 0 DFADRP CC[N@@H+]1CCC[C@H](CNC(=O)C[C@H](c2ccccc2)[NH+](C)C)C1 ZINC000416146432 428676405 /nfs/dbraw/zinc/67/64/05/428676405.db2.gz UTVZSYBHESTXBS-SJLPKXTDSA-N 2 0 317.477 2.528 20 0 DFADRP CC(C)[N@H+](C)CCCNC(=O)C[C@@H](c1ccccc1)[NH+](C)C ZINC000416130396 428673521 /nfs/dbraw/zinc/67/35/21/428673521.db2.gz IRBYRBXABULZQG-KRWDZBQOSA-N 2 0 305.466 2.526 20 0 DFADRP C[C@@H]1CN(Cc2ccccc2)C[C@H]1[NH2+]C[C@H](O)Cc1ccccc1 ZINC000348297689 428697702 /nfs/dbraw/zinc/69/77/02/428697702.db2.gz CEHAHAZXXGLWKK-DUXKGJEZSA-N 2 0 324.468 2.700 20 0 DFADRP C[C@H](CCc1ccc(Cl)s1)[NH2+]CC1(O)CC[NH+](C)CC1 ZINC000344746339 428701238 /nfs/dbraw/zinc/70/12/38/428701238.db2.gz MJYPTZOBEIZAHG-GFCCVEGCSA-N 2 0 316.898 2.769 20 0 DFADRP CCCC[N@@H+]1CCCC[C@H]1CNC(=O)[C@H](C1CC1)[NH+]1CCCC1 ZINC000353764411 428703465 /nfs/dbraw/zinc/70/34/65/428703465.db2.gz XYBRFDRVFUMHQM-ROUUACIJSA-N 2 0 321.509 2.632 20 0 DFADRP C[C@@H]1C[C@H](C[NH+]2C[C@@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)CCO1 ZINC000348315347 428705810 /nfs/dbraw/zinc/70/58/10/428705810.db2.gz ITOFRRGFWQDWFV-LMCOJAPRSA-N 2 0 314.473 2.865 20 0 DFADRP CC[NH+](CC)C[C@@H]1CCCC[C@H]1[NH2+]Cc1c[nH]c(C(=O)OC)c1 ZINC000344840747 428710281 /nfs/dbraw/zinc/71/02/81/428710281.db2.gz QWGGLPHXGHXQEC-JKSUJKDBSA-N 2 0 321.465 2.792 20 0 DFADRP CC[NH+](CC)C[C@H]1CCCC[C@H]1[NH2+]Cc1cnc2cnccn12 ZINC000344853449 428714592 /nfs/dbraw/zinc/71/45/92/428714592.db2.gz XRAUTHBDZRUUAE-NVXWUHKLSA-N 2 0 315.465 2.720 20 0 DFADRP C[NH+](C)CC1(C[NH2+][C@H]2CCO[C@H](C(F)(F)F)C2)CCCC1 ZINC000348383070 428725166 /nfs/dbraw/zinc/72/51/66/428725166.db2.gz INTJNBVTKLGXEX-STQMWFEESA-N 2 0 308.388 2.808 20 0 DFADRP CO[C@@H]1CCC[NH+](CCCC[N@H+]2CCC[C@@H](OC)CC2)CC1 ZINC000374677054 428727266 /nfs/dbraw/zinc/72/72/66/428727266.db2.gz IMEOGZDRIYXUNE-QZTJIDSGSA-N 2 0 312.498 2.768 20 0 DFADRP CC[C@@H]1CC[C@@H]1[NH2+]Cc1ccccc1C[N@@H+]1CCC[C@@H]1CO ZINC000348385934 428728500 /nfs/dbraw/zinc/72/85/00/428728500.db2.gz WWVDWFRIFPKNHE-LZQZEXGQSA-N 2 0 302.462 2.922 20 0 DFADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CCCSC2)[C@@H](C)C1 ZINC000348249788 428679645 /nfs/dbraw/zinc/67/96/45/428679645.db2.gz ZGWFPMMFJLOEFA-ULQDDVLXSA-N 2 0 314.539 2.856 20 0 DFADRP CCN1C[C@H](C)[C@H]([NH2+]CCC2CCN(CC(F)(F)F)CC2)C1 ZINC000344599388 428681064 /nfs/dbraw/zinc/68/10/64/428681064.db2.gz FJUNMOGRDTWWHH-DZGCQCFKSA-N 2 0 321.431 2.581 20 0 DFADRP CCCCNC(=O)C1([NH2+]CC[C@H]2CCC[N@@H+]2C)CCCCC1 ZINC000348257338 428681623 /nfs/dbraw/zinc/68/16/23/428681623.db2.gz RNYAJELVCCEXEW-MRXNPFEDSA-N 2 0 309.498 2.680 20 0 DFADRP CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)C[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC000416188341 428686239 /nfs/dbraw/zinc/68/62/39/428686239.db2.gz GYKWCVAPISKYBN-NJAFHUGGSA-N 2 0 317.477 2.524 20 0 DFADRP c1ccc(CN2CCC[C@@]3(CC[N@@H+]([C@@H]4CCOC4)C3)C2)cc1 ZINC000348277639 428689536 /nfs/dbraw/zinc/68/95/36/428689536.db2.gz SWXNBBHTYNJYPP-RTBURBONSA-N 2 0 300.446 2.763 20 0 DFADRP CC(C)[N@@H+]1CCC[C@H](NC(=O)C[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC000416201493 428690130 /nfs/dbraw/zinc/69/01/30/428690130.db2.gz GEPORBPTIOULJP-ROUUACIJSA-N 2 0 317.477 2.668 20 0 DFADRP CC[N@@H+]1CC[C@@H](N(C)Cc2c(C)nc3ccccn32)[C@@H](C)C1 ZINC000353749362 428693783 /nfs/dbraw/zinc/69/37/83/428693783.db2.gz FUWMLXKNFUNXAN-GOEBONIOSA-N 2 0 300.450 2.805 20 0 DFADRP CCC[N@H+](CC)C[C@@H](C)NC(=O)C[C@@H](c1ccccc1)[NH+](C)C ZINC000416232673 428695128 /nfs/dbraw/zinc/69/51/28/428695128.db2.gz GLKOECDYALDUEP-AEFFLSMTSA-N 2 0 319.493 2.916 20 0 DFADRP CC(C)[N@@H+](C)C[C@@H](C)NC(=O)C[C@H](c1ccccc1)[NH+](C)C ZINC000416232390 428695170 /nfs/dbraw/zinc/69/51/70/428695170.db2.gz FOAJIJHLEJJFCX-NVXWUHKLSA-N 2 0 305.466 2.524 20 0 DFADRP CCS[C@@H]1CCC[C@H]1[NH2+]CCCN1CC[NH+](C(C)C)CC1 ZINC000348476029 428753997 /nfs/dbraw/zinc/75/39/97/428753997.db2.gz FVJYGYYBQIECBN-IAGOWNOFSA-N 2 0 313.555 2.666 20 0 DFADRP COC(=O)c1cc(C[NH+]2CCC(C[NH+](C)C)CC2)c(C)s1 ZINC000362471168 428757804 /nfs/dbraw/zinc/75/78/04/428757804.db2.gz ZSEDOPFJQQDUNS-UHFFFAOYSA-N 2 0 310.463 2.617 20 0 DFADRP CSC1(C[N@H+](C)C[C@H]2CCCN(C)[C@@H]2c2ccnn2C)CC1 ZINC000348489873 428758883 /nfs/dbraw/zinc/75/88/83/428758883.db2.gz HFLRKUHGBMXYSH-ZBFHGGJFSA-N 2 0 322.522 2.630 20 0 DFADRP C[N@H+]1CC=C(C[NH2+]Cc2cccc(OC(F)(F)F)c2)CC1 ZINC000345134138 428766460 /nfs/dbraw/zinc/76/64/60/428766460.db2.gz BTTFHYLHTUKHIO-UHFFFAOYSA-N 2 0 300.324 2.937 20 0 DFADRP c1cc(C[NH+]2CCCCC2)ccc1CN1CC[N@@H+]2CCC[C@H]2C1 ZINC000411256250 428767448 /nfs/dbraw/zinc/76/74/48/428767448.db2.gz KSXHGUQMXBINFM-FQEVSTJZSA-N 2 0 313.489 2.953 20 0 DFADRP CCc1cccc(F)c1C[NH2+]C[C@H](C)N1CC[NH+](CC)CC1 ZINC000353918873 428776750 /nfs/dbraw/zinc/77/67/50/428776750.db2.gz UVASWSFAYCLEJP-HNNXBMFYSA-N 2 0 307.457 2.504 20 0 DFADRP COC(=O)C[C@@H]1CC[C@H]([NH2+]CCC[N@H+]2C[C@H](C)C[C@H](C)C2)[C@@H]1C ZINC000353934844 428784421 /nfs/dbraw/zinc/78/44/21/428784421.db2.gz YOZOQGHNYIHICC-WKULXVSPSA-N 2 0 324.509 2.922 20 0 DFADRP C[N@H+]1CC=C(C[NH2+]Cc2ccc(F)c(Br)c2)CC1 ZINC000345178709 428786968 /nfs/dbraw/zinc/78/69/68/428786968.db2.gz UXASVNZSHJKTKC-UHFFFAOYSA-N 2 0 313.214 2.940 20 0 DFADRP Cc1cc(CC[NH2+][C@@H](C)c2cccc(OCC[NH+](C)C)c2)on1 ZINC000353946703 428788307 /nfs/dbraw/zinc/78/83/07/428788307.db2.gz JBFXGQVMGWBXIY-HNNXBMFYSA-N 2 0 317.433 2.817 20 0 DFADRP CC1CC[NH+](CCCNC(=O)c2ccccc2C[NH+](C)C)CC1 ZINC000362438455 428742808 /nfs/dbraw/zinc/74/28/08/428742808.db2.gz GLEKLMZLNUGYMO-UHFFFAOYSA-N 2 0 317.477 2.600 20 0 DFADRP OC[C@@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)C1CC1 ZINC000353851114 428747643 /nfs/dbraw/zinc/74/76/43/428747643.db2.gz PFITWCBBPHQDJS-XUBOLADHSA-N 2 0 314.473 2.790 20 0 DFADRP COC[C@H]([NH2+]Cc1ccc(OC2CC[NH+](C)CC2)cc1)C1CC1 ZINC000375307122 428851793 /nfs/dbraw/zinc/85/17/93/428851793.db2.gz DTDZZWJPNVPVRA-IBGZPJMESA-N 2 0 318.461 2.674 20 0 DFADRP CC[C@@H]1C[N@H+](Cc2ccc(C[NH+]3CCCCC3)cc2)C[C@@H]1O ZINC000411427067 428796096 /nfs/dbraw/zinc/79/60/96/428796096.db2.gz QDDSUACYWZKIRE-MOPGFXCFSA-N 2 0 302.462 2.875 20 0 DFADRP CC(C)C[N@@H+]1CC[C@@H](CNC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)C1 ZINC000362646447 428796944 /nfs/dbraw/zinc/79/69/44/428796944.db2.gz KPBHFNOFZDZPFP-ZWKOTPCHSA-N 2 0 323.525 2.591 20 0 DFADRP CC[C@H]1C[N@H+](Cc2ccc(C[NH+]3CCCCC3)cc2)C[C@@H]1O ZINC000411427069 428797880 /nfs/dbraw/zinc/79/78/80/428797880.db2.gz QDDSUACYWZKIRE-OALUTQOASA-N 2 0 302.462 2.875 20 0 DFADRP C[C@@H]1CC[N@H+](Cc2ccc(C[NH+]3CCCCC3)cc2)C[C@H]1O ZINC000411456182 428798878 /nfs/dbraw/zinc/79/88/78/428798878.db2.gz YWZMTACGGRYDPS-VQIMIIECSA-N 2 0 302.462 2.875 20 0 DFADRP Cc1cc(CC[NH2+][C@@H](C)c2ccc(OCC[NH+](C)C)cc2)on1 ZINC000353978368 428802643 /nfs/dbraw/zinc/80/26/43/428802643.db2.gz KOYUODLJUURXKB-HNNXBMFYSA-N 2 0 317.433 2.817 20 0 DFADRP CC[NH+]1CCC(NC(=O)C[NH2+][C@H](C)c2cccc(C)c2C)CC1 ZINC000411471703 428803829 /nfs/dbraw/zinc/80/38/29/428803829.db2.gz QQIBWEDQOBUXEA-MRXNPFEDSA-N 2 0 317.477 2.555 20 0 DFADRP CCCC[C@@H]1CCC[C@@H]1[NH2+]CC(=O)NC1CC[NH+](CC)CC1 ZINC000411522187 428811568 /nfs/dbraw/zinc/81/15/68/428811568.db2.gz VRWYCAOGRMZWHO-WBVHZDCISA-N 2 0 309.498 2.535 20 0 DFADRP CC(=O)N1CCC([NH2+]C2CC[NH+]([C@@H]3CCC[C@H](C)C3)CC2)CC1 ZINC000359100223 428816480 /nfs/dbraw/zinc/81/64/80/428816480.db2.gz AJNLLFLNQZPNCD-HNAYVOBHSA-N 2 0 321.509 2.630 20 0 DFADRP CN1CC[C@@H](C[N@H+](C)CCc2cncs2)[C@@H]1c1cccnc1 ZINC000411585431 428819759 /nfs/dbraw/zinc/81/97/59/428819759.db2.gz SQFRGGGBCZGRIW-RDJZCZTQSA-N 2 0 316.474 2.705 20 0 DFADRP Cc1nccn1CCCN1CCSC[C@H]1c1nccs1 ZINC000375229716 428827353 /nfs/dbraw/zinc/82/73/53/428827353.db2.gz PAHFDQVGLAOMQU-ZDUSSCGKSA-N 2 0 308.476 2.828 20 0 DFADRP CC[NH+](CC)CCOC1CC[NH+](Cc2cccnc2C)CC1 ZINC000354033667 428832830 /nfs/dbraw/zinc/83/28/30/428832830.db2.gz MULDDDIRCNHNDH-UHFFFAOYSA-N 2 0 305.466 2.713 20 0 DFADRP C[C@@H]1[C@@H](CO)CC[N@@H+]1Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000411655610 428833163 /nfs/dbraw/zinc/83/31/63/428833163.db2.gz LNPOOMQATMIUSQ-VQIMIIECSA-N 2 0 302.462 2.875 20 0 DFADRP c1ccc2c(NC[C@H]3CCC[C@H]3[NH+]3CCOCC3)cc[nH+]c2c1 ZINC000363007856 428840748 /nfs/dbraw/zinc/84/07/48/428840748.db2.gz PBJKRRAKAUMGPQ-DNVCBOLYSA-N 2 0 311.429 2.570 20 0 DFADRP CC[NH+](CC)CCO[C@@H]1CC[N@H+](Cc2sccc2OC)C1 ZINC000354087417 428855320 /nfs/dbraw/zinc/85/53/20/428855320.db2.gz ADJGZJPGJQELKY-CQSZACIVSA-N 2 0 312.479 2.689 20 0 DFADRP CC[NH+](CC)CCO[C@H]1CC[N@H+](Cc2ccc(OC)c(F)c2)C1 ZINC000354089363 428855842 /nfs/dbraw/zinc/85/58/42/428855842.db2.gz YNJPUZPMWXUJBP-INIZCTEOSA-N 2 0 324.440 2.767 20 0 DFADRP CC[C@H]([NH2+]C1CC[NH+](C(C)(C)C)CC1)C1(C(=O)OC)CCC1 ZINC000354090083 428857401 /nfs/dbraw/zinc/85/74/01/428857401.db2.gz HVJDKBCCJLIGPH-HNNXBMFYSA-N 2 0 310.482 2.961 20 0 DFADRP C[C@@H]1CCC[C@H](C[N@@H+]2CCCN(Cc3nccn3C)CC2)C1 ZINC000363109091 428859844 /nfs/dbraw/zinc/85/98/44/428859844.db2.gz XXDHASNOCVKXAW-SJORKVTESA-N 2 0 304.482 2.754 20 0 DFADRP CC[N@H+](CCC1CC[NH2+]CC1)Cc1nc2ccccc2c(=O)[nH]1 ZINC000359191040 428860308 /nfs/dbraw/zinc/86/03/08/428860308.db2.gz OCYBPMLFYPCTMF-UHFFFAOYSA-N 2 0 314.433 2.547 20 0 DFADRP CC[NH+](CC)CCO[C@H]1CC[N@H+](Cc2ccccc2OC)C1 ZINC000354106962 428865593 /nfs/dbraw/zinc/86/55/93/428865593.db2.gz NCHJQGOXDKWRRN-KRWDZBQOSA-N 2 0 306.450 2.628 20 0 DFADRP C[C@H]([NH2+][C@@H]1CCc2nccn2C1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000375377634 428866875 /nfs/dbraw/zinc/86/68/75/428866875.db2.gz GLRNIQQWDHZSLZ-YTQUADARSA-N 3 0 324.472 2.698 20 0 DFADRP Cc1cn2cc(NC(=O)NCc3ccn4ccnc4c3)ccc2n1 ZINC000354200595 428911053 /nfs/dbraw/zinc/91/10/53/428911053.db2.gz VCHDAOODKCBVNB-UHFFFAOYSA-N 2 0 320.356 2.612 20 0 DFADRP CCOc1ccccc1N1CC[NH+](CCC2CC[NH2+]CC2)CC1 ZINC000359219825 428872696 /nfs/dbraw/zinc/87/26/96/428872696.db2.gz VXTORKIZGICKCZ-UHFFFAOYSA-N 2 0 317.477 2.597 20 0 DFADRP Cc1ccc(C[NH+]2CCC(CC[NH+]3CCOCC3)CC2)c(C)n1 ZINC000375391666 428873419 /nfs/dbraw/zinc/87/34/19/428873419.db2.gz JUUFKYTYYSWUPU-UHFFFAOYSA-N 2 0 317.477 2.633 20 0 DFADRP COc1ccc(CC[C@@H](C)[NH2+][C@H]2CCc3nccn3C2)cc1O ZINC000375430160 428882381 /nfs/dbraw/zinc/88/23/81/428882381.db2.gz WOADYAKQRJRGKS-HIFRSBDPSA-N 2 0 315.417 2.523 20 0 DFADRP CCN(C)C(=O)CC[NH2+]C[C@H]1CCC[N@H+](C)[C@@H]1c1ccccc1 ZINC000375472386 428894600 /nfs/dbraw/zinc/89/46/00/428894600.db2.gz SZISDJYCQPXDIB-IEBWSBKVSA-N 2 0 317.477 2.528 20 0 DFADRP CCC[N@@H+]1CCCN(C(=O)[C@H]2CC[NH+](C3CCCCC3)C2)CC1 ZINC000363315395 428903784 /nfs/dbraw/zinc/90/37/84/428903784.db2.gz UYRPOQAQQYIXGS-KRWDZBQOSA-N 2 0 321.509 2.585 20 0 DFADRP CC[C@H]([NH2+]C1CCN(c2cccc(C)n2)CC1)c1nccn1C ZINC000375522100 428905496 /nfs/dbraw/zinc/90/54/96/428905496.db2.gz GEBYKBBQJVLVDB-INIZCTEOSA-N 2 0 313.449 2.833 20 0 DFADRP CC(C)[C@H]([NH2+]C1CC[NH+]([C@@H]2CCC[C@H]2O)CC1)c1cccnc1 ZINC000359296136 428905802 /nfs/dbraw/zinc/90/58/02/428905802.db2.gz AVRRKESALADRJN-QRVBRYPASA-N 2 0 317.477 2.746 20 0 DFADRP CC(C)[C@@H](C(=O)Nc1cccc2c1OCC[C@H]2[NH+](C)C)[NH+](C)C ZINC000345501107 428912930 /nfs/dbraw/zinc/91/29/30/428912930.db2.gz FAZGSBGEHPYILK-CVEARBPZSA-N 2 0 319.449 2.597 20 0 DFADRP CC(C)[C@@H](C[NH2+]C[C@H](O)C[NH+]1CCCCC1)c1ccccc1 ZINC000354206483 428914389 /nfs/dbraw/zinc/91/43/89/428914389.db2.gz CPWGUWALBXGQNF-RBUKOAKNSA-N 2 0 304.478 2.863 20 0 DFADRP CC[N@@H+]1CC[C@@H]([NH+](C)CCC(=O)Nc2ccccc2)C[C@@H]1C ZINC000354212004 428916194 /nfs/dbraw/zinc/91/61/94/428916194.db2.gz ZBHBPSCQTJEIRJ-DOTOQJQBSA-N 2 0 303.450 2.820 20 0 DFADRP C[N@H+](CCCn1ccnc1)Cc1cc(-n2ccnc2)cs1 ZINC000349368226 428971160 /nfs/dbraw/zinc/97/11/60/428971160.db2.gz NPMPLQAMMJIJEN-UHFFFAOYSA-N 2 0 301.419 2.652 20 0 DFADRP CCC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH+](C)C1CCCCC1 ZINC000349090360 428919641 /nfs/dbraw/zinc/91/96/41/428919641.db2.gz WEZPGGLOFLEDFD-KRWDZBQOSA-N 2 0 309.498 2.632 20 0 DFADRP C[C@H]1CC(C)(C)C[N@@H+]1CC(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000412048085 428922323 /nfs/dbraw/zinc/92/23/23/428922323.db2.gz UAIFTYSJBVNAET-DOTOQJQBSA-N 2 0 317.477 2.526 20 0 DFADRP CCCCNC(=[NH2+])NCC1CC[NH+](CCc2ccccc2)CC1 ZINC000363483854 428925281 /nfs/dbraw/zinc/92/52/81/428925281.db2.gz MIJGCNHODPIPMC-UHFFFAOYSA-N 2 0 316.493 2.855 20 0 DFADRP CCC[C@@H]([NH2+]C(C)C)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C(C)C ZINC000354333343 428971599 /nfs/dbraw/zinc/97/15/99/428971599.db2.gz UETRBJZXVZQTNJ-IXDOHACOSA-N 2 0 309.498 2.627 20 0 DFADRP CC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H](C(C)C)[NH+]1CCC(C)CC1 ZINC000354273162 428948764 /nfs/dbraw/zinc/94/87/64/428948764.db2.gz RVHJHDJMVSYPGY-QZTJIDSGSA-N 2 0 323.525 2.734 20 0 DFADRP CC(C)[C@@H](C(=O)NCC[NH+](C(C)C)C(C)C)[NH+]1CCCCC1 ZINC000354279289 428952081 /nfs/dbraw/zinc/95/20/81/428952081.db2.gz BTJMGFFIOKPQSR-KRWDZBQOSA-N 2 0 311.514 2.732 20 0 DFADRP C[C@@H]1C[C@@H]([NH2+]Cc2cn(C)nc2-c2cccs2)CC[N@@H+]1C ZINC000354284151 428955096 /nfs/dbraw/zinc/95/50/96/428955096.db2.gz WEYMZUTYYSASNH-OCCSQVGLSA-N 2 0 304.463 2.721 20 0 DFADRP Nc1cc(C[N@@H+]2CCCC[C@@H]2[C@H](C[NH3+])Cc2ccccc2)ccn1 ZINC000420314876 428958080 /nfs/dbraw/zinc/95/80/80/428958080.db2.gz RBMWCIZJXSZDAL-RBUKOAKNSA-N 2 0 324.472 2.836 20 0 DFADRP Cc1cccc(C[N@@H+]2CCN(C3CC[NH+](C)CC3)[C@@H](C)C2)c1C ZINC000349317896 428960583 /nfs/dbraw/zinc/96/05/83/428960583.db2.gz QRWQKFHCPWRCQV-KRWDZBQOSA-N 2 0 315.505 2.904 20 0 DFADRP c1cc2cc(C[NH2+]C[C@@H]3CN4CCCC[C@@H]4CO3)ccc2o1 ZINC000375765436 428965708 /nfs/dbraw/zinc/96/57/08/428965708.db2.gz VTJXHVIGVTVOAW-IAGOWNOFSA-N 2 0 300.402 2.776 20 0 DFADRP C[NH+]1CCC(C[NH2+][C@@H]2CCC(=O)Nc3ccc(F)cc32)CC1 ZINC000363678110 428966858 /nfs/dbraw/zinc/96/68/58/428966858.db2.gz ZSAGOYIYOCSLIW-OAHLLOKOSA-N 2 0 305.397 2.531 20 0 DFADRP COc1cc(C)c(C[C@@H](C)[NH2+]CCC[NH2+]C2CC2)cc1OC ZINC000423543404 428968594 /nfs/dbraw/zinc/96/85/94/428968594.db2.gz BSYJZICXAVJPRV-CQSZACIVSA-N 2 0 306.450 2.675 20 0 DFADRP CC[C@@H](Cc1ccc(OC)c(OC)c1)[NH2+]CCC1=CC[NH2+]CC1 ZINC000423536656 428968754 /nfs/dbraw/zinc/96/87/54/428968754.db2.gz IBJXDEFBFDOKKZ-KRWDZBQOSA-N 2 0 318.461 2.924 20 0 DFADRP CC[C@H](Cc1ccc(OC)c(OC)c1)[NH2+]CCC1=CC[NH2+]CC1 ZINC000423536657 428968942 /nfs/dbraw/zinc/96/89/42/428968942.db2.gz IBJXDEFBFDOKKZ-QGZVFWFLSA-N 2 0 318.461 2.924 20 0 DFADRP CC(C)[NH+]1CCN([C@H]2CC[N@@H+]([C@@H](C)c3ccccc3)C2)CC1 ZINC000375907433 429015047 /nfs/dbraw/zinc/01/50/47/429015047.db2.gz SCOPGMGQAPYTHL-HKUYNNGSSA-N 2 0 301.478 2.848 20 0 DFADRP Cc1cc(C[NH+](C)C)cc(NC(=O)[C@@H]2C[C@H]3CCCC[C@@H]3[NH2+]2)c1 ZINC000423788460 429020974 /nfs/dbraw/zinc/02/09/74/429020974.db2.gz SHGUNBCBKFXIDQ-NJAFHUGGSA-N 2 0 315.461 2.916 20 0 DFADRP CCC[C@@H]([NH2+]C(C)C)C(=O)NC[C@@H]1CCC[N@H+](CC(C)C)C1 ZINC000355143975 429029451 /nfs/dbraw/zinc/02/94/51/429029451.db2.gz ASVBTYADWVRJFV-DLBZAZTESA-N 2 0 311.514 2.637 20 0 DFADRP CCC[C@@H]([NH2+]C(C)C)C(=O)NC[C@H]1CCC[N@H+](CC(C)C)C1 ZINC000355143976 429031226 /nfs/dbraw/zinc/03/12/26/429031226.db2.gz ASVBTYADWVRJFV-IAGOWNOFSA-N 2 0 311.514 2.637 20 0 DFADRP C[C@H]1C[C@H]([NH+]2CCCC2)CN1CC[N@H+](C)Cc1ccc(F)cc1 ZINC000375789847 428973628 /nfs/dbraw/zinc/97/36/28/428973628.db2.gz VBLQYCFNZFXPLF-LPHOPBHVSA-N 2 0 319.468 2.816 20 0 DFADRP c1ccc(C[N@@H+]2C[C@@H]3CC[C@H](N[C@H]4CCCC[NH2+]C4)[C@@H]3C2)cc1 ZINC000423572116 428975884 /nfs/dbraw/zinc/97/58/84/428975884.db2.gz YHADKYBIWTUJMY-HAGHYFMRSA-N 2 0 313.489 2.629 20 0 DFADRP COC[C@H]([NH2+]C1CC[NH+]([C@@H]2CCC[C@@H](C)C2)CC1)[C@H]1CCCO1 ZINC000433012387 428979820 /nfs/dbraw/zinc/97/98/20/428979820.db2.gz KHLYHQMFSBSAOQ-OQIJWPOYSA-N 2 0 324.509 2.813 20 0 DFADRP OCC1(C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)CC(c2ccccc2)C1 ZINC000433085627 428993109 /nfs/dbraw/zinc/99/31/09/428993109.db2.gz WZCGYEUPSRNUCK-NUVZVAJJSA-N 2 0 314.473 2.759 20 0 DFADRP Cc1cccc(N2CCC([NH2+][C@@H]3C[C@@H](C)[N@@H+](C)C[C@H]3C)CC2)n1 ZINC000363791584 428994927 /nfs/dbraw/zinc/99/49/27/428994927.db2.gz TXPNALLYMJSDBD-QGPMSJSTSA-N 3 0 316.493 2.677 20 0 DFADRP C[C@@H]1CN(Cc2ccccc2)CC[C@H]1[NH2+][C@@H]1CCc2nccn2C1 ZINC000375845970 428997112 /nfs/dbraw/zinc/99/71/12/428997112.db2.gz ZRKULJPJAZXBFQ-BHIYHBOVSA-N 3 0 324.472 2.698 20 0 DFADRP CC(C)[C@@H]1CC[C@@H](C)C[C@H]1NC(=O)CCC[NH+]1CCC([NH3+])CC1 ZINC000433112814 428997313 /nfs/dbraw/zinc/99/73/13/428997313.db2.gz CGLZLXNREMGGLZ-BPQIPLTHSA-N 2 0 323.525 2.767 20 0 DFADRP [NH3+]C1CC[NH+](CCCC(=O)N2CCCCc3ccccc32)CC1 ZINC000433138565 428998963 /nfs/dbraw/zinc/99/89/63/428998963.db2.gz SRNHJLXGBBUINT-UHFFFAOYSA-N 2 0 315.461 2.559 20 0 DFADRP CCc1ccc([C@@H](C)NC(=O)CCC[NH+]2CCC([NH3+])CC2)cc1 ZINC000433143367 429002292 /nfs/dbraw/zinc/00/22/92/429002292.db2.gz HKKMKRONNXRYLF-OAHLLOKOSA-N 2 0 317.477 2.630 20 0 DFADRP [NH3+]C1CC[NH+](CCCC(=O)Nc2ccc(Cl)c(F)c2)CC1 ZINC000433167171 429003373 /nfs/dbraw/zinc/00/33/73/429003373.db2.gz ZRZGBVYTDCBLLF-UHFFFAOYSA-N 2 0 313.804 2.621 20 0 DFADRP C[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCCN(C(=O)C[C@@H]2CCCC[C@H]2[NH3+])C1 ZINC000423721064 429004270 /nfs/dbraw/zinc/00/42/70/429004270.db2.gz BKEGRIRVKWPCHK-IGKNDFSCSA-N 2 0 321.509 2.758 20 0 DFADRP c1ccc([C@H]2C[C@H]2C[NH+]2CCN(CC[NH+]3CCCC3)CC2)cc1 ZINC000349561343 429004377 /nfs/dbraw/zinc/00/43/77/429004377.db2.gz IHUZYYGOZUWRDY-VQTJNVASSA-N 2 0 313.489 2.504 20 0 DFADRP CSc1ccc(NC(=O)CCC[NH+]2CCC([NH3+])CC2)cc1 ZINC000433159772 429005119 /nfs/dbraw/zinc/00/51/19/429005119.db2.gz FNFOQEXWAAOCMK-UHFFFAOYSA-N 2 0 307.463 2.550 20 0 DFADRP C[N@@H+]1CC[C@H]([NH2+]CCc2cnn(-c3ccccc3)c2)[C@H]2CCC[C@@H]21 ZINC000375888799 429009163 /nfs/dbraw/zinc/00/91/63/429009163.db2.gz MWDTWYXUTHOONR-AABGKKOBSA-N 2 0 324.472 2.877 20 0 DFADRP C[N@@H+]1CC[C@H]([NH2+]Cc2ccc(C(C)(C)O)cc2)[C@@H]2CCC[C@@H]21 ZINC000375898367 429011821 /nfs/dbraw/zinc/01/18/21/429011821.db2.gz RRDLMKASRWLVBO-BZSNNMDCSA-N 2 0 302.462 2.876 20 0 DFADRP CCC[C@@H](C)[N@H+](C)CC(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000354828422 429012822 /nfs/dbraw/zinc/01/28/22/429012822.db2.gz BIPPOCJIOLWEGV-NVXWUHKLSA-N 2 0 305.466 2.526 20 0 DFADRP CC[C@]1(C)CC[N@H+](CC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC000354856996 429013470 /nfs/dbraw/zinc/01/34/70/429013470.db2.gz MWXCHMZIPZRCOL-PKOBYXMFSA-N 2 0 317.477 2.528 20 0 DFADRP Cc1ccc(C)c(C[N@H+]2CC[C@H](N3CC[NH+](C(C)C)CC3)C2)c1 ZINC000375903140 429013520 /nfs/dbraw/zinc/01/35/20/429013520.db2.gz HDBZPAMINLMBAX-FQEVSTJZSA-N 2 0 315.505 2.904 20 0 DFADRP CC(C)[C@H]([NH3+])CCN(C)C(=O)CC[C@H]([NH3+])CC1CCCCC1 ZINC000424077107 429089045 /nfs/dbraw/zinc/08/90/45/429089045.db2.gz NOFKGJOGILBZNB-DLBZAZTESA-N 2 0 311.514 2.896 20 0 DFADRP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)CCO1 ZINC000423460808 429090132 /nfs/dbraw/zinc/09/01/32/429090132.db2.gz BLLBVAZGNFENCF-HUHSQHJXSA-N 2 0 306.425 2.676 20 0 DFADRP CC[C@@H]([NH2+]C[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1)[C@@H]1CCOC1 ZINC000423468127 429092036 /nfs/dbraw/zinc/09/20/36/429092036.db2.gz JKEVFJSNFIOOMC-UKBAYJJMSA-N 2 0 320.452 2.924 20 0 DFADRP C[C@@H]([NH2+]C[C@@H]1CCNCC1(F)F)c1ccc(-n2ccnc2)cc1 ZINC000423463636 429092452 /nfs/dbraw/zinc/09/24/52/429092452.db2.gz ASGDRGSQEPMVQD-HIFRSBDPSA-N 3 0 320.387 2.768 20 0 DFADRP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCC[C@@H]([NH3+])C2)CN1Cc1ccccc1 ZINC000423471615 429092901 /nfs/dbraw/zinc/09/29/01/429092901.db2.gz MPQJFUWXAUUQQB-OWYHZJEWSA-N 2 0 301.478 2.757 20 0 DFADRP C[C@H](CNC(=O)CC[C@H]([NH3+])CC1CCCCC1)C[NH+]1CCCC1 ZINC000424125910 429094419 /nfs/dbraw/zinc/09/44/19/429094419.db2.gz AXBOEEFKEZECOK-AEFFLSMTSA-N 2 0 323.525 2.912 20 0 DFADRP CCO[C@@H]1C[C@H]([NH2+]C[C@@H]2CCC[C@@H]([NH3+])C2)[C@@H]1Oc1ccccc1 ZINC000423474999 429094705 /nfs/dbraw/zinc/09/47/05/429094705.db2.gz POFVKDXJZGNZNB-FDMITFGQSA-N 2 0 318.461 2.719 20 0 DFADRP COCCOc1ccc([C@@H](C)[NH2+]CCC[C@@H]2CCC[NH2+]2)cc1 ZINC000423478262 429094781 /nfs/dbraw/zinc/09/47/81/429094781.db2.gz KXFXVQNDOVISEM-NVXWUHKLSA-N 2 0 306.450 2.895 20 0 DFADRP [NH3+][C@@H](CCC(=O)NC1CC[NH+](C2CC2)CC1)CC1CCCCC1 ZINC000424135698 429096325 /nfs/dbraw/zinc/09/63/25/429096325.db2.gz MSRQNIHZVPRLIB-INIZCTEOSA-N 2 0 321.509 2.807 20 0 DFADRP C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)[C@@H]1CCCC[C@@]1(C)[NH3+] ZINC000423847314 429035961 /nfs/dbraw/zinc/03/59/61/429035961.db2.gz PZQOQFPVSBJWPU-HHXXYDBFSA-N 2 0 317.477 2.531 20 0 DFADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+][C@H](C)c2ccncc2Cl)CC1 ZINC000421826669 429037090 /nfs/dbraw/zinc/03/70/90/429037090.db2.gz UGBDUGKFJSGXEG-LSDHHAIUSA-N 2 0 324.900 2.659 20 0 DFADRP C[NH+](C)[C@@H](CNC(=O)CC[C@H]([NH3+])CC1CCCCC1)C1CC1 ZINC000424136108 429096396 /nfs/dbraw/zinc/09/63/96/429096396.db2.gz QJKYIOJYUPEDOD-IRXDYDNUSA-N 2 0 309.498 2.521 20 0 DFADRP C[C@H]([NH3+])CCC(=O)NCC[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000423904478 429052636 /nfs/dbraw/zinc/05/26/36/429052636.db2.gz OHWCMTDKADHFAN-LZLYRXPVSA-N 2 0 317.477 2.531 20 0 DFADRP COCC[C@H](Cc1cccc(F)c1)[NH2+][C@@H]1CCCC[C@@H]1C[NH3+] ZINC000423283761 429055511 /nfs/dbraw/zinc/05/55/11/429055511.db2.gz WEPXVNXJMKUFKE-KBAYOESNSA-N 2 0 308.441 2.880 20 0 DFADRP C[C@H]([NH2+][C@@H]1CCCC[C@@H]1C[NH3+])c1cccc(N2CCCC2=O)c1 ZINC000423274789 429056221 /nfs/dbraw/zinc/05/62/21/429056221.db2.gz MLQCFCUEIFACCC-YXJHDRRASA-N 2 0 315.461 2.982 20 0 DFADRP C[C@H]([NH2+][C@H]1CCCC[C@@H]1C[NH3+])c1cccc(N2CCCC2=O)c1 ZINC000423274787 429056645 /nfs/dbraw/zinc/05/66/45/429056645.db2.gz MLQCFCUEIFACCC-LESCRADOSA-N 2 0 315.461 2.982 20 0 DFADRP C[C@H]([NH2+][C@@H]1CCC[C@@H]1C[NH3+])c1cccc(N2CCCC2=O)c1 ZINC000423284752 429058216 /nfs/dbraw/zinc/05/82/16/429058216.db2.gz YHNZGBVVRDQLDU-YSVLISHTSA-N 2 0 301.434 2.591 20 0 DFADRP CCC([NH3+])(CC)CN[C@@H](C)c1ccc(OCC[NH+](C)C)cc1 ZINC000423287269 429058452 /nfs/dbraw/zinc/05/84/52/429058452.db2.gz LEQUKGZQQIEXPR-HNNXBMFYSA-N 2 0 307.482 2.795 20 0 DFADRP CC[C@@H]([NH2+]Cc1ccc([C@H](C)[NH3+])cc1)C1(C(=O)OC)CCC1 ZINC000423291043 429058978 /nfs/dbraw/zinc/05/89/78/429058978.db2.gz GKIHOMDCLRUCKP-XJKSGUPXSA-N 2 0 304.434 2.918 20 0 DFADRP C[C@H]([NH3+])c1ccc(C(=O)NCCC[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000423311468 429059712 /nfs/dbraw/zinc/05/97/12/429059712.db2.gz TYPGOKBXRMQDNK-GJZGRUSLSA-N 2 0 303.450 2.701 20 0 DFADRP CC[NH+](CC)CCC[C@@H](C)NC(=O)c1ccc([C@@H](C)[NH3+])cc1 ZINC000423297962 429059909 /nfs/dbraw/zinc/05/99/09/429059909.db2.gz MODDDOPHBNJNJE-HUUCEWRRSA-N 2 0 305.466 2.947 20 0 DFADRP Brc1ccc([C@H]([NH2+]CC2C[NH2+]C2)C2CC2)s1 ZINC000423299741 429060400 /nfs/dbraw/zinc/06/04/00/429060400.db2.gz CEMFZWLBLYYZRU-GFCCVEGCSA-N 2 0 301.253 2.771 20 0 DFADRP CCC(C)(C)[NH2+][C@@H](C)C(=O)Nc1ccc(C[NH+](C)C)cc1F ZINC000412560115 429061883 /nfs/dbraw/zinc/06/18/83/429061883.db2.gz PDMDOLVYEKFOCR-LBPRGKRZSA-N 2 0 309.429 2.993 20 0 DFADRP COc1cccc(C[C@H]([NH2+]CC2(C)CC[NH2+]CC2)C2CC2)c1 ZINC000423319184 429061977 /nfs/dbraw/zinc/06/19/77/429061977.db2.gz DBCKPNFFALFMHS-SFHVURJKSA-N 2 0 302.462 2.996 20 0 DFADRP COc1cc([C@@H](C)[NH2+]C[C@]2(C)CCC[NH2+]C2)cc(OC)c1OC ZINC000423321592 429063377 /nfs/dbraw/zinc/06/33/77/429063377.db2.gz GMVFMCLFNXTIRV-FZKQIMNGSA-N 2 0 322.449 2.753 20 0 DFADRP C[C@@H]([NH2+]C[C@@]1(C)CCC[NH2+]C1)c1cccc(OCC[NH+](C)C)c1 ZINC000423323020 429064445 /nfs/dbraw/zinc/06/44/45/429064445.db2.gz HXMPDYWSISQFGB-APWZRJJASA-N 3 0 319.493 2.667 20 0 DFADRP [NH3+]CCCC[NH2+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000423327494 429064502 /nfs/dbraw/zinc/06/45/02/429064502.db2.gz NFYXWJPOBKKSJG-CEXWTWQISA-N 3 0 301.478 2.616 20 0 DFADRP [NH3+]CCCC[NH2+][C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000423327496 429064922 /nfs/dbraw/zinc/06/49/22/429064922.db2.gz NFYXWJPOBKKSJG-GBESFXJTSA-N 3 0 301.478 2.616 20 0 DFADRP C[C@@H]1CCC[N@H+](CCNC(=O)C(C)(C)[C@H]([NH3+])c2ccccc2)C1 ZINC000423328274 429065829 /nfs/dbraw/zinc/06/58/29/429065829.db2.gz LXWVVJSWZSQQQB-NVXWUHKLSA-N 2 0 317.477 2.561 20 0 DFADRP [NH3+]C1(C[NH2+][C@H](Cc2ccccc2Cl)[C@H]2CCCO2)CCC1 ZINC000423326959 429066099 /nfs/dbraw/zinc/06/60/99/429066099.db2.gz KVKKAGJKEDYBOW-HZPDHXFCSA-N 2 0 308.853 2.901 20 0 DFADRP CCO[C@@H]1C[C@@H]([NH2+]CC2(C)CC[NH2+]CC2)[C@@H]1Oc1ccccc1 ZINC000423335252 429067371 /nfs/dbraw/zinc/06/73/71/429067371.db2.gz RJIPQLNFCSSYDG-KURKYZTESA-N 2 0 318.461 2.591 20 0 DFADRP Clc1ccccc1C[C@H]([NH2+]C[C@@H]1CC[NH2+]C1)[C@H]1CCCO1 ZINC000423337557 429067622 /nfs/dbraw/zinc/06/76/22/429067622.db2.gz KHDCGTMPUXEIBS-XOKHGSTOSA-N 2 0 308.853 2.629 20 0 DFADRP CN1CC[C@H]([NH2+]CC2(C)CC[NH2+]CC2)C[C@H]1c1ccccc1 ZINC000423335336 429067861 /nfs/dbraw/zinc/06/78/61/429067861.db2.gz RQPHWFOSTOSWHQ-ROUUACIJSA-N 2 0 301.478 2.801 20 0 DFADRP c1ccc(C[N@H+]2CC[C@H](NC[C@@H]3CC[NH2+]C3)[C@@H]3CCC[C@H]32)cc1 ZINC000423347883 429069570 /nfs/dbraw/zinc/06/95/70/429069570.db2.gz SCDOEALTIIQVMH-FUMNGEBKSA-N 2 0 313.489 2.629 20 0 DFADRP C[C@@H]1CC[NH2+][C@H](C(=O)Nc2ccc(CC[NH+]3CCCC3)cc2)C1 ZINC000423354370 429071991 /nfs/dbraw/zinc/07/19/91/429071991.db2.gz NKHRMXDRKBOIJU-QAPCUYQASA-N 2 0 315.461 2.652 20 0 DFADRP C[C@H](CNC(=O)[C@H]([NH3+])CC1CCCCC1)[NH+]1CCC(C)CC1 ZINC000423357152 429072380 /nfs/dbraw/zinc/07/23/80/429072380.db2.gz LQCHAIKUPQEXBO-NVXWUHKLSA-N 2 0 309.498 2.521 20 0 DFADRP COc1ccc([C@@H](C)[C@H](C)[NH2+]CC[C@H]2CCC[NH2+]2)cc1OC ZINC000423355643 429072492 /nfs/dbraw/zinc/07/24/92/429072492.db2.gz FQDQYGWYWNJNPZ-OFQRWUPVSA-N 2 0 306.450 2.928 20 0 DFADRP C[C@@H]1CC[NH2+]C[C@H]1N[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000423361795 429072504 /nfs/dbraw/zinc/07/25/04/429072504.db2.gz MPIAIXSJBFSYEG-RACLHMPKSA-N 2 0 313.489 2.770 20 0 DFADRP C[C@H](Cc1ccccc1)[NH+]1CCC(N[C@H]2CC[NH2+]C[C@H]2C)CC1 ZINC000423363123 429072576 /nfs/dbraw/zinc/07/25/76/429072576.db2.gz BMLLCJYAZFISQJ-HLIPFELVSA-N 2 0 315.505 2.670 20 0 DFADRP CC(C)[C@H](C(=O)N[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1)[C@H](C)[NH3+] ZINC000423357509 429072624 /nfs/dbraw/zinc/07/26/24/429072624.db2.gz IEOKXZRUSDOPHO-IDCNUPLLSA-N 2 0 317.477 2.558 20 0 DFADRP CC(C)[N@@H+]1CCC[C@H](CNC(=O)c2ccc([C@H](C)[NH3+])cc2)C1 ZINC000423359873 429072678 /nfs/dbraw/zinc/07/26/78/429072678.db2.gz PSZGYQVKIIVEBR-LSDHHAIUSA-N 2 0 303.450 2.557 20 0 DFADRP C[C@@H]([NH2+]CCC[C@H]1CCC[NH2+]1)c1cccc(OCC[NH+](C)C)c1 ZINC000423485360 429097238 /nfs/dbraw/zinc/09/72/38/429097238.db2.gz RMMSDLVIEDKSLF-AEFFLSMTSA-N 2 0 319.493 2.810 20 0 DFADRP CC(C)[N@@H+]1CCC[C@@H](CNC(=O)c2ccc([C@H](C)[NH3+])cc2)C1 ZINC000423359870 429072759 /nfs/dbraw/zinc/07/27/59/429072759.db2.gz PSZGYQVKIIVEBR-GJZGRUSLSA-N 2 0 303.450 2.557 20 0 DFADRP C[C@@H]1[NH2+]CCC[C@@H]1C(=O)Nc1ccc(CC[NH+]2CCCC2)cc1 ZINC000423360452 429072809 /nfs/dbraw/zinc/07/28/09/429072809.db2.gz WACRTDHVXYCALV-YJBOKZPZSA-N 2 0 315.461 2.652 20 0 DFADRP COCCOc1ccc([C@H](C)[NH2+][C@@H]2CCC[C@@H]([NH3+])C2)cc1OC ZINC000423366143 429074314 /nfs/dbraw/zinc/07/43/14/429074314.db2.gz BOGFTKDMGUJFFJ-NUEKZKHPSA-N 2 0 322.449 2.641 20 0 DFADRP C[C@H]([NH3+])c1ccc(C(=O)NCC[N@H+]2[C@H](C)CCC[C@@H]2C)cc1 ZINC000423368744 429074385 /nfs/dbraw/zinc/07/43/85/429074385.db2.gz FLSDVUBLWLPPMX-ZNMIVQPWSA-N 2 0 303.450 2.699 20 0 DFADRP c1ccc([C@@H]2C[C@@H]([NH2+]Cc3ccc4c(c3)C[NH2+]C4)CCN2)cc1 ZINC000423372912 429074789 /nfs/dbraw/zinc/07/47/89/429074789.db2.gz HKGRECBOAMUTBV-PMACEKPBSA-N 2 0 307.441 2.873 20 0 DFADRP COCC1(C[NH2+][C@H]2CCCc3ccc(OC)cc32)CC[NH2+]CC1 ZINC000423376108 429076431 /nfs/dbraw/zinc/07/64/31/429076431.db2.gz AMMMVRXOJAVRLP-SFHVURJKSA-N 2 0 318.461 2.678 20 0 DFADRP C[C@@H](N[C@@H]1CC[NH2+][C@H](C)C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000423374752 429076764 /nfs/dbraw/zinc/07/67/64/429076764.db2.gz IIYXEKSZQQWJBS-PSBWJHGTSA-N 2 0 301.478 2.627 20 0 DFADRP C[C@@H]([NH2+][C@H]1CC[NH2+][C@H](C)C1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000423380265 429077211 /nfs/dbraw/zinc/07/72/11/429077211.db2.gz NNJOCNFULVWCCL-XNJGSVPQSA-N 2 0 316.449 2.762 20 0 DFADRP C[C@H]([NH2+]C(C)(C)CNC(=O)[C@H]1C[C@H](C)CC[NH2+]1)c1ccccc1 ZINC000423387658 429080037 /nfs/dbraw/zinc/08/00/37/429080037.db2.gz SUECIFKZIJRRDE-HLLBOEOZSA-N 2 0 317.477 2.620 20 0 DFADRP CC[C@H]([NH2+]C[C@@H](N1CC[NH2+]CC1)C(F)(F)F)c1cccs1 ZINC000423403165 429080693 /nfs/dbraw/zinc/08/06/93/429080693.db2.gz YZPSOUFQIKZWTC-WCQYABFASA-N 2 0 321.412 2.625 20 0 DFADRP CC[NH+]1CCC(CCNC(=O)[C@H]([NH3+])CC2CCCCC2)CC1 ZINC000423408040 429081709 /nfs/dbraw/zinc/08/17/09/429081709.db2.gz NYRVZLQZKMKJQL-QGZVFWFLSA-N 2 0 309.498 2.522 20 0 DFADRP COCC1(C[NH2+][C@H](C)c2ccc3ccccc3n2)CC[NH2+]CC1 ZINC000423405053 429081720 /nfs/dbraw/zinc/08/17/20/429081720.db2.gz IZGSZWIUAJZXIX-OAHLLOKOSA-N 2 0 313.445 2.902 20 0 DFADRP COCC1(C[NH2+][C@@H](Cc2ccccc2C)C2CC2)CC[NH2+]CC1 ZINC000423401059 429081856 /nfs/dbraw/zinc/08/18/56/429081856.db2.gz GCHGGGOAUJZQDL-IBGZPJMESA-N 2 0 316.489 2.922 20 0 DFADRP O[C@@H]1C[NH2+]C[C@@H]1C[NH2+][C@@H](CCCc1ccccc1)c1ccccc1 ZINC000423399945 429082152 /nfs/dbraw/zinc/08/21/52/429082152.db2.gz FEMAPXAZQHUBMT-QHAWAJNXSA-N 2 0 324.468 2.921 20 0 DFADRP COc1ccc([C@H](C)[NH2+]C[C@@H]2CCNCC2(F)F)c(F)c1 ZINC000423485604 429097496 /nfs/dbraw/zinc/09/74/96/429097496.db2.gz TXIAETZFKKOTGM-QWRGUYRKSA-N 2 0 302.340 2.730 20 0 DFADRP CC(C)CC[C@H]([NH2+]C[C@H]1C[NH2+]C[C@H]1O)c1ccc(Cl)cc1 ZINC000423407195 429082310 /nfs/dbraw/zinc/08/23/10/429082310.db2.gz LWSCBKRRMPBSLH-HYVNUMGLSA-N 2 0 310.869 2.987 20 0 DFADRP COCC1(C[NH2+][C@H](c2ccc(F)cn2)C(C)C)CC[NH2+]CC1 ZINC000423412963 429082770 /nfs/dbraw/zinc/08/27/70/429082770.db2.gz XUJGNYFQFFUHND-INIZCTEOSA-N 2 0 309.429 2.524 20 0 DFADRP CC[C@@H]([NH2+]CC1(COC)CC[NH2+]CC1)c1cccc(OC)c1 ZINC000423410535 429083342 /nfs/dbraw/zinc/08/33/42/429083342.db2.gz RZSQULKCGQTGKU-QGZVFWFLSA-N 2 0 306.450 2.752 20 0 DFADRP Cc1ccsc1[C@H](Cc1ccccc1)[NH2+]C[C@@H]1C[NH2+]C[C@H]1O ZINC000423411731 429083623 /nfs/dbraw/zinc/08/36/23/429083623.db2.gz VDWRDWNMTRYMSC-YESZJQIVSA-N 2 0 316.470 2.510 20 0 DFADRP CC[C@H]([NH2+]C[C@H]1C[NH2+]C[C@@H]1O)c1ccc(Cl)c(Cl)c1 ZINC000423409409 429083760 /nfs/dbraw/zinc/08/37/60/429083760.db2.gz PYMPAYNTMYUJDD-SWHYSGLUSA-N 2 0 303.233 2.614 20 0 DFADRP COC[C@@]1(C[NH2+][C@H](Cc2ccccc2OC)C(C)C)CCC[NH2+]1 ZINC000423409008 429084081 /nfs/dbraw/zinc/08/40/81/429084081.db2.gz BFTBTNQQUCXIEK-MJGOQNOKSA-N 2 0 320.477 2.621 20 0 DFADRP C[C@H]([NH2+]C[C@@H]1C[NH2+]C[C@@H]1O)c1ccc(-c2ccc(F)cc2)s1 ZINC000423412744 429084170 /nfs/dbraw/zinc/08/41/70/429084170.db2.gz XJCHCPYUTOCWCL-WHOFXGATSA-N 2 0 320.433 2.785 20 0 DFADRP C[C@@H]([NH3+])c1ccc(C(=O)N[C@H]2CC[N@H+](CC3CCCC3)C2)cc1 ZINC000423422182 429084530 /nfs/dbraw/zinc/08/45/30/429084530.db2.gz YNHXTZPIRWUZKM-KDOFPFPSSA-N 2 0 315.461 2.701 20 0 DFADRP C[C@@H](CC(=O)N(C)c1ccccc1)[NH2+]C[C@H]1CC[C@H](C[NH3+])CC1 ZINC000423419395 429084836 /nfs/dbraw/zinc/08/48/36/429084836.db2.gz IPYDOHNJURWRQK-ULQDDVLXSA-N 2 0 317.477 2.783 20 0 DFADRP C[C@@H]1C[C@@H](N(C)C(=O)C(C)(C)[C@@H]([NH3+])c2ccccc2)CC[N@@H+]1C ZINC000423424656 429085240 /nfs/dbraw/zinc/08/52/40/429085240.db2.gz NGURVHAGXQIFHM-PVAVHDDUSA-N 2 0 317.477 2.654 20 0 DFADRP C[C@@H](CC(=O)Nc1ccccc1)[NH2+]C[C@H]1CC[C@H](C[NH3+])CC1 ZINC000423415750 429085390 /nfs/dbraw/zinc/08/53/90/429085390.db2.gz BAIOFEDGKJRZIJ-JYJNAYRXSA-N 2 0 303.450 2.758 20 0 DFADRP CC[N@@H+]1CC[C@H](N(C)C(=O)c2ccc([C@@H](C)[NH3+])cc2)[C@H](C)C1 ZINC000423415735 429085630 /nfs/dbraw/zinc/08/56/30/429085630.db2.gz AZNHHNCKTIGDAS-CPUCHLNUSA-N 2 0 303.450 2.509 20 0 DFADRP C[C@H]([NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21)[C@H](C)Oc1ccc(Cl)cc1Cl ZINC000423436137 429086782 /nfs/dbraw/zinc/08/67/82/429086782.db2.gz PNGQITDANFXYGH-VQARIJDOSA-N 2 0 315.244 2.957 20 0 DFADRP C[C@H](CCCC[NH3+])[NH2+][C@@H](C)[C@H](c1ccccc1)N1CCOCC1 ZINC000423431631 429087856 /nfs/dbraw/zinc/08/78/56/429087856.db2.gz LYPDSVHNNSAFCW-ZIFCJYIRSA-N 2 0 319.493 2.556 20 0 DFADRP C[C@@H]([NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1)c1cnn(Cc2ccccc2)c1 ZINC000423440805 429088999 /nfs/dbraw/zinc/08/89/99/429088999.db2.gz OVYQEMWJDDDLBR-UIAACRFSSA-N 2 0 324.472 2.970 20 0 DFADRP CCOc1c(OC)cc(C[N@H+](C)[C@@H]2CCC[NH2+]CC2)cc1OC ZINC000435439215 429143156 /nfs/dbraw/zinc/14/31/56/429143156.db2.gz UCRXSPBGSBTGCX-OAHLLOKOSA-N 2 0 322.449 2.676 20 0 DFADRP CCC[N@H+](C)C[C@@H]1CCN(C(=O)Nc2cc(C)cc(C[NH3+])c2)C1 ZINC000424436783 429143322 /nfs/dbraw/zinc/14/33/22/429143322.db2.gz NFAWEAHUBDWTJQ-HNNXBMFYSA-N 2 0 318.465 2.649 20 0 DFADRP C[C@H]([NH2+]Cc1ccc(C(=O)NCC[NH+](C)C)cc1)[C@@H]1CC1(C)C ZINC000487309649 429150639 /nfs/dbraw/zinc/15/06/39/429150639.db2.gz LEQCDIDLTBMSPM-YOEHRIQHSA-N 2 0 317.477 2.502 20 0 DFADRP CC(C)[C@@H](NC(=O)CN(C)[C@@H]1CCC[NH2+]CC1)c1ccccc1 ZINC000435616964 429151807 /nfs/dbraw/zinc/15/18/07/429151807.db2.gz VCTSTLOFMFFYQY-IEBWSBKVSA-N 2 0 317.477 2.574 20 0 DFADRP FC1(F)Oc2ccc(C[NH2+]C[C@@H]3CC[N@@H+](C4CC4)C3)cc2O1 ZINC000424139459 429098358 /nfs/dbraw/zinc/09/83/58/429098358.db2.gz VHXARTNAMDDCFL-LBPRGKRZSA-N 2 0 310.344 2.582 20 0 DFADRP COC[C@H]([NH2+][C@H]1CC[C@H](C[NH3+])C1)c1cccc(Cl)c1F ZINC000423493135 429098418 /nfs/dbraw/zinc/09/84/18/429098418.db2.gz AVWPGKNAMNDFJX-MJVIPROJSA-N 2 0 300.805 2.884 20 0 DFADRP C[C@H]([NH2+]C[C@H]1C[NH2+]CCCO1)C1(c2ccccc2)CCCC1 ZINC000423494902 429099893 /nfs/dbraw/zinc/09/98/93/429099893.db2.gz SQPTWOOPTALBOT-FUHWJXTLSA-N 2 0 302.462 2.855 20 0 DFADRP [NH3+][C@H](CCC(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1)CC1CCCCC1 ZINC000424155414 429100030 /nfs/dbraw/zinc/10/00/30/429100030.db2.gz NWARUAUTRTUGES-XWTMOSNGSA-N 2 0 321.509 2.650 20 0 DFADRP [NH3+][C@H](CCC(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1)CC1CCCCC1 ZINC000424155410 429101395 /nfs/dbraw/zinc/10/13/95/429101395.db2.gz NWARUAUTRTUGES-MHORFTMASA-N 2 0 321.509 2.650 20 0 DFADRP COc1cc2c(cc1OC)[C@H]([N@@H+]1C[C@@H](C)[C@](C)(C[NH3+])C1)CC2 ZINC000423503855 429102299 /nfs/dbraw/zinc/10/22/99/429102299.db2.gz FHWYZMXEUTYKPN-CDHAZOANSA-N 2 0 304.434 2.608 20 0 DFADRP C[C@@H]([C@H]1CC[N@H+](Cc2ccccc2)C1)N1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000423508255 429103926 /nfs/dbraw/zinc/10/39/26/429103926.db2.gz KNXMTTWNYULCMN-LCLWPZTBSA-N 2 0 315.505 2.814 20 0 DFADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1N[C@@H](C[NH3+])C1CCCC1 ZINC000423507890 429104151 /nfs/dbraw/zinc/10/41/51/429104151.db2.gz IRJXDPUQARRYNW-AYOQOUSVSA-N 2 0 301.478 2.614 20 0 DFADRP C[C@H](c1cnn(Cc2ccccc2)c1)[N@@H+]1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000423509908 429104277 /nfs/dbraw/zinc/10/42/77/429104277.db2.gz MZNZNYPMVVVALJ-GPMSIDNRSA-N 2 0 312.461 2.909 20 0 DFADRP C[C@@H](c1cccc(OCC[NH+](C)C)c1)[N@@H+]1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000423511444 429104324 /nfs/dbraw/zinc/10/43/24/429104324.db2.gz OYCMGIZLUUBVSL-JTDSTZFVSA-N 3 0 319.493 2.605 20 0 DFADRP C[C@H]1Cc2ccccc2[C@@H]1[NH2+]C1CCC([NH+]2CCNCC2)CC1 ZINC000423510516 429104337 /nfs/dbraw/zinc/10/43/37/429104337.db2.gz MMRIKDLWASYYAN-WVLNKYAVSA-N 2 0 313.489 2.726 20 0 DFADRP CCN(C(=O)CC[C@H](C)[NH3+])[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000434685993 429104564 /nfs/dbraw/zinc/10/45/64/429104564.db2.gz SMRRMUQGFDIGTG-BQFCYCMXSA-N 2 0 317.477 2.798 20 0 DFADRP [NH3+][C@@H](CCC(=O)N1CC[C@H]2C[NH2+]C[C@H]2CC1)CC1CCCCC1 ZINC000424176624 429104830 /nfs/dbraw/zinc/10/48/30/429104830.db2.gz OXWYGFWNKVZFGR-KSZLIROESA-N 2 0 321.509 2.522 20 0 DFADRP Cc1cccc([C@H](C)[NH2+]C2CCC([NH+]3CCNCC3)CC2)c1 ZINC000423519722 429106182 /nfs/dbraw/zinc/10/61/82/429106182.db2.gz QIAUCSYYBLUSPP-IVMQYODDSA-N 2 0 301.478 2.862 20 0 DFADRP CCC[NH+](CCC)CCCC(=O)N(C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000376401806 429106543 /nfs/dbraw/zinc/10/65/43/429106543.db2.gz DATXPXMFTONSLU-JWTNVVGKSA-N 2 0 323.525 2.972 20 0 DFADRP C[C@@H]1CCN(C(=O)CC[C@@H]([NH3+])CC2CCCCC2)[C@@H](C[NH3+])C1 ZINC000424178076 429106737 /nfs/dbraw/zinc/10/67/37/429106737.db2.gz QSZFRDGZKDUIIP-DJIMGWMZSA-N 2 0 309.498 2.650 20 0 DFADRP [NH3+]C1(C[NH2+][C@@H]2[C@@H]3CCO[C@H]3C23CCC3)C2CC3CC(C2)CC1C3 ZINC000423520609 429107273 /nfs/dbraw/zinc/10/72/73/429107273.db2.gz FFHOZZKRRRZHKQ-WGRWJZCPSA-N 2 0 316.489 2.687 20 0 DFADRP C[C@H]([NH2+]C1CCC(N2CC[NH2+]CC2)CC1)c1ccc(F)cc1F ZINC000423519836 429107286 /nfs/dbraw/zinc/10/72/86/429107286.db2.gz QPSNJJPKAHNFDH-JEYLPNPQSA-N 2 0 323.431 2.832 20 0 DFADRP COC1(C[NH2+]C2CCC([NH+]3CCC(C)CC3)CC2)CCOCC1 ZINC000376460083 429116263 /nfs/dbraw/zinc/11/62/63/429116263.db2.gz VUXGGGAYVCZVNH-UHFFFAOYSA-N 2 0 324.509 2.815 20 0 DFADRP CC(C)(C)CC[NH+]1CCN(C[C@@H](C[NH3+])c2ccc(F)cc2)CC1 ZINC000424275331 429117710 /nfs/dbraw/zinc/11/77/10/429117710.db2.gz ATCDVKXYNJPIPA-QGZVFWFLSA-N 2 0 321.484 2.922 20 0 DFADRP Cc1ccc(NC(=O)C[N@H+]2CC3(C[C@H]2C)CC[NH2+]CC3)cc1F ZINC000424286705 429119492 /nfs/dbraw/zinc/11/94/92/429119492.db2.gz HXUMTEPAGSHUHX-CQSZACIVSA-N 2 0 319.424 2.537 20 0 DFADRP C[C@H]1CC2(C[N@@H+]1Cc1nccn1Cc1ccccc1)CC[NH2+]CC2 ZINC000424286034 429119714 /nfs/dbraw/zinc/11/97/14/429119714.db2.gz GUANJZGFYILZTD-KRWDZBQOSA-N 2 0 324.472 2.895 20 0 DFADRP C[C@@H](C[NH2+][C@H](C1CCC1)C1CCCCC1)N1CC[NH+](C)CC1 ZINC000424289945 429121902 /nfs/dbraw/zinc/12/19/02/429121902.db2.gz ARNZTZKTGRJVIH-LPHOPBHVSA-N 2 0 307.526 2.961 20 0 DFADRP CC(C)[NH+]1CCC(N(C)C[C@H](C[NH3+])c2ccc(F)cc2)CC1 ZINC000424301358 429122609 /nfs/dbraw/zinc/12/26/09/429122609.db2.gz KUSJXYIEBHALCZ-INIZCTEOSA-N 2 0 307.457 2.673 20 0 DFADRP CCc1cccc(C[NH+]2CCC(n3ncc4c3C[NH2+]C4)CC2)c1 ZINC000424299827 429123521 /nfs/dbraw/zinc/12/35/21/429123521.db2.gz VXUIIWWGMFLAEL-UHFFFAOYSA-N 2 0 310.445 2.886 20 0 DFADRP C[N@H+](CCOC1CCC1)C1CCN(CCc2ccncc2)CC1 ZINC000376516063 429126647 /nfs/dbraw/zinc/12/66/47/429126647.db2.gz XIFYOOAMIUFNQE-UHFFFAOYSA-N 2 0 317.477 2.589 20 0 DFADRP Cc1ccc(C[NH+]2CCC(n3ncc4c3C[NH2+]C4)CC2)s1 ZINC000424375073 429132527 /nfs/dbraw/zinc/13/25/27/429132527.db2.gz JFWYOYLZNXRLEK-UHFFFAOYSA-N 2 0 302.447 2.693 20 0 DFADRP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)CC[C@@H]2CCC[NH2+]2)C1 ZINC000494637783 429135085 /nfs/dbraw/zinc/13/50/85/429135085.db2.gz NCSRGQGNKGXHSJ-KURKYZTESA-N 2 0 321.509 2.632 20 0 DFADRP Cc1ccc(-c2n[nH]cc2C[N@@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)o1 ZINC000435377806 429135538 /nfs/dbraw/zinc/13/55/38/429135538.db2.gz FKJQGFINFPEXRP-CFVMTHIKSA-N 2 0 300.406 2.537 20 0 DFADRP CCOC(=O)CC(C)(C)CC[N@H+](C)C[C@H]1CCc2nccn2C1 ZINC000376559026 429136304 /nfs/dbraw/zinc/13/63/04/429136304.db2.gz RUMASXFSECULJB-OAHLLOKOSA-N 2 0 321.465 2.747 20 0 DFADRP CC[N@H+](Cc1cccc(OCCOC)c1)[C@H]1CCC[NH2+]CC1 ZINC000435390169 429136430 /nfs/dbraw/zinc/13/64/30/429136430.db2.gz OIFPTRNWEUUKLQ-KRWDZBQOSA-N 2 0 306.450 2.676 20 0 DFADRP COc1cc2[nH+]ccc(N3CC[C@@H]([NH3+])C3)c2cc1Br ZINC000424411366 429137814 /nfs/dbraw/zinc/13/78/14/429137814.db2.gz KPWLSTFIPDDOFZ-SECBINFHSA-N 2 0 322.206 2.543 20 0 DFADRP Cc1cc(C[NH3+])cc(NC(=O)NCC[N@@H+]2CCCC(C)(C)C2)c1 ZINC000424424885 429139112 /nfs/dbraw/zinc/13/91/12/429139112.db2.gz ISHHWQURGKZUCZ-UHFFFAOYSA-N 2 0 318.465 2.697 20 0 DFADRP CC[N@H+](Cc1cc(-n2ccnc2)cs1)[C@H]1CCC[NH2+]CC1 ZINC000435392498 429139762 /nfs/dbraw/zinc/13/97/62/429139762.db2.gz WTSXABFVVFEWCF-AWEZNQCLSA-N 2 0 304.463 2.898 20 0 DFADRP COc1ccc(C[C@H](C)C[N@@H+]2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)cc1F ZINC000435392091 429139998 /nfs/dbraw/zinc/13/99/98/429139998.db2.gz ZVAMJIDWNBEYKL-FAYQHZLMSA-N 2 0 306.425 2.682 20 0 DFADRP Cn1ccnc1C[N@H+](CC1CCCCC1)[C@H]1CC12CC[NH2+]CC2 ZINC000435432674 429141541 /nfs/dbraw/zinc/14/15/41/429141541.db2.gz JXKBKJDUWPJUFU-KRWDZBQOSA-N 2 0 316.493 2.945 20 0 DFADRP CC[N@@H+]1CC[C@@H](N(C)C(=O)Nc2cc(C)cc(C[NH3+])c2)[C@@H](C)C1 ZINC000424442229 429141850 /nfs/dbraw/zinc/14/18/50/429141850.db2.gz XPHZLGKTRLSNNU-WMLDXEAASA-N 2 0 318.465 2.648 20 0 DFADRP CC[N@@H+]1CC[C@H](N(C)C(=O)Nc2cc(C)cc(C[NH3+])c2)C[C@H]1C ZINC000424437816 429142251 /nfs/dbraw/zinc/14/22/51/429142251.db2.gz OTNDUMGYRFCZGW-PBHICJAKSA-N 2 0 318.465 2.790 20 0 DFADRP CCCc1csc(C[NH2+]C(C)(C)CCN2CC[NH+](C)CC2)n1 ZINC000494849077 429160095 /nfs/dbraw/zinc/16/00/95/429160095.db2.gz DDLGTCULVBGLDL-UHFFFAOYSA-N 2 0 324.538 2.601 20 0 DFADRP CC(C)(C[NH3+])c1nc(-c2cccc(C[NH+]3CCCCC3)c2)no1 ZINC000435727160 429160583 /nfs/dbraw/zinc/16/05/83/429160583.db2.gz UQBVRHBPHALFFA-UHFFFAOYSA-N 2 0 314.433 2.959 20 0 DFADRP C[C@H]([NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccc(C(=O)N(C)C)cc1 ZINC000494888653 429160987 /nfs/dbraw/zinc/16/09/87/429160987.db2.gz IKOVSDLSCBZWNK-JCGIZDLHSA-N 2 0 315.461 2.666 20 0 DFADRP CCC(CC)[C@@H](C[NH2+][C@@H]1CCC(=O)NC1(C)C)[NH+]1CCCC1 ZINC000494923034 429165280 /nfs/dbraw/zinc/16/52/80/429165280.db2.gz MJEOAGDCLSZKIS-HZPDHXFCSA-N 2 0 309.498 2.534 20 0 DFADRP CCC(CC)[C@H](C[NH2+][C@H]1CCC(=O)NC1(C)C)[NH+]1CCCC1 ZINC000494923031 429165304 /nfs/dbraw/zinc/16/53/04/429165304.db2.gz MJEOAGDCLSZKIS-HOTGVXAUSA-N 2 0 309.498 2.534 20 0 DFADRP C[C@@H]1CCCC[C@H]1C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C ZINC000424649516 429169240 /nfs/dbraw/zinc/16/92/40/429169240.db2.gz AVLKOUFIQLOWEE-IAGOWNOFSA-N 2 0 311.514 2.545 20 0 DFADRP COCC[N@H+](C)CCOc1cccc(C[NH2+][C@@H]2C[C@H](C)[C@@H]2C)c1 ZINC000495060139 429176327 /nfs/dbraw/zinc/17/63/27/429176327.db2.gz QCMKNQNZNVCZOR-TXPKVOOTSA-N 2 0 320.477 2.778 20 0 DFADRP C[C@H](CC[NH2+][C@@H]1CCC(=O)NC1(C)C)[N@H+](C)Cc1ccccc1 ZINC000495077923 429177028 /nfs/dbraw/zinc/17/70/28/429177028.db2.gz GVAZFJYKPRBZKR-NVXWUHKLSA-N 2 0 317.477 2.544 20 0 DFADRP CCC[NH+](CCC)CCCC(=O)N1CC[N@H+](C)[C@@H](C(C)C)C1 ZINC000489323261 429230002 /nfs/dbraw/zinc/23/00/02/429230002.db2.gz NQQXSFAIBQKWCY-QGZVFWFLSA-N 2 0 311.514 2.687 20 0 DFADRP CCC(=O)N1CCC[C@@H]1[C@@H]1CCC[N@@H+]1CCC[NH+]1CCCCC1 ZINC000364591022 429231504 /nfs/dbraw/zinc/23/15/04/429231504.db2.gz LGNVWQGVVKQOBK-ZWKOTPCHSA-N 2 0 321.509 2.728 20 0 DFADRP C[C@@H]1C[C@@H](C[NH3+])C[N@@H+]1CCOc1ccccc1C(F)(F)F ZINC000442767298 429234863 /nfs/dbraw/zinc/23/48/63/429234863.db2.gz YFVWBYJEJGOKSX-NEPJUHHUSA-N 2 0 302.340 2.753 20 0 DFADRP FC(F)C1CCC([NH2+]C2CC[NH+](C[C@@H]3CCOC3)CC2)CC1 ZINC000442771094 429235218 /nfs/dbraw/zinc/23/52/18/429235218.db2.gz SUHGZWNPIZAXKU-NFOMZHRRSA-N 2 0 316.436 2.901 20 0 DFADRP COc1cc(C[N@@H+]2CCC[C@@H](CC[NH3+])C2)cc(Cl)c1OC ZINC000442925055 429240256 /nfs/dbraw/zinc/24/02/56/429240256.db2.gz TWYISKIOIMTCMR-LBPRGKRZSA-N 2 0 312.841 2.918 20 0 DFADRP CC[NH+](CC)CCC[NH2+][C@H](C)C1CN(C(=O)OC(C)(C)C)C1 ZINC000495734079 429255447 /nfs/dbraw/zinc/25/54/47/429255447.db2.gz KEKZMSWDQAYTDH-CQSZACIVSA-N 2 0 313.486 2.563 20 0 DFADRP C[C@@H]1CC[C@H](C)[C@H]([NH2+]Cc2ccc(N3CC[NH+](C)CC3)nc2)C1 ZINC000449072395 429324379 /nfs/dbraw/zinc/32/43/79/429324379.db2.gz JZKINRIZTNMNSR-SOLBZPMBSA-N 2 0 316.493 2.748 20 0 DFADRP CC[C@](C)(O)C[NH2+]C1CC[NH+]([C@@H](C)Cc2ccccc2)CC1 ZINC000449073600 429325653 /nfs/dbraw/zinc/32/56/53/429325653.db2.gz SHCXEKMOYDBQLV-LPHOPBHVSA-N 2 0 304.478 2.833 20 0 DFADRP C[C@@H](Cc1coc2ccccc12)[NH2+]C[C@H](O)C[NH+]1CCCCC1 ZINC000449089954 429329105 /nfs/dbraw/zinc/32/91/05/429329105.db2.gz FOWRSGGUCJJABK-RDJZCZTQSA-N 2 0 316.445 2.800 20 0 DFADRP COCC1CCC([NH2+]CCCC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000449103348 429332547 /nfs/dbraw/zinc/33/25/47/429332547.db2.gz PSJIJNJVFODDIH-MRLCAUJQSA-N 2 0 312.498 2.671 20 0 DFADRP C[C@H](C[NH2+]Cc1cc(Cl)sc1Cl)N1CC[NH+](C)CC1 ZINC000449134249 429340143 /nfs/dbraw/zinc/34/01/43/429340143.db2.gz HSKQQUGOIKBEPU-SNVBAGLBSA-N 2 0 322.305 2.780 20 0 DFADRP CO[C@H](C[N@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1)C1CC1 ZINC000425425299 429293655 /nfs/dbraw/zinc/29/36/55/429293655.db2.gz YBOLOJINPACHBG-PKOBYXMFSA-N 2 0 302.462 2.865 20 0 DFADRP COC(=O)[C@H](CC[N@@H+]1CCC[C@H]([NH+](C)C)CC1)c1ccccc1 ZINC000425484885 429307726 /nfs/dbraw/zinc/30/77/26/429307726.db2.gz SWCBWSLUMGDOJO-ZWKOTPCHSA-N 2 0 318.461 2.749 20 0 DFADRP CC1(c2ccc(F)cc2)CC([NH2+]C[C@@H](O)C[NH+]2CCCCC2)C1 ZINC000365405286 429313801 /nfs/dbraw/zinc/31/38/01/429313801.db2.gz SIIKVAUDLAPWAZ-JLAWEPINSA-N 2 0 320.452 2.682 20 0 DFADRP CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)[C@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC000457118313 429406606 /nfs/dbraw/zinc/40/66/06/429406606.db2.gz MPNWKDUJNCCITD-FUHWJXTLSA-N 2 0 321.509 2.582 20 0 DFADRP CC(C)C[C@@H]1C[C@@H]([NH2+]Cc2cc(C3CC[NH2+]CC3)no2)CCO1 ZINC000425894416 429349655 /nfs/dbraw/zinc/34/96/55/429349655.db2.gz GLIKTEVPGNMMGX-JKSUJKDBSA-N 2 0 321.465 2.825 20 0 DFADRP C[C@@H]1CC(CC[NH2+]Cc2cc(C3CC[NH2+]CC3)no2)C[C@@H](C)O1 ZINC000425895357 429349697 /nfs/dbraw/zinc/34/96/97/429349697.db2.gz IXDUIXRCUXRARS-ZIAGYGMSSA-N 2 0 321.465 2.825 20 0 DFADRP c1c(C[NH2+]C[C@@H]2CC23CCSCC3)onc1C1CC[NH2+]CC1 ZINC000425895802 429350771 /nfs/dbraw/zinc/35/07/71/429350771.db2.gz LGLHABCIIPGUPZ-AWEZNQCLSA-N 2 0 321.490 2.765 20 0 DFADRP CC[N@@H+]1CCC[C@@H](C[NH2+][C@H]2CCc3c(cccc3OC)C2)C1 ZINC000425945419 429352552 /nfs/dbraw/zinc/35/25/52/429352552.db2.gz QPFJXFBIWHUXRK-RDJZCZTQSA-N 2 0 302.462 2.874 20 0 DFADRP CC[N@@H+]1CCC[C@@H](C[NH2+][C@@H]2CCc3c(cccc3OC)C2)C1 ZINC000425945417 429352831 /nfs/dbraw/zinc/35/28/31/429352831.db2.gz QPFJXFBIWHUXRK-DOTOQJQBSA-N 2 0 302.462 2.874 20 0 DFADRP CC[C@H](O)CC[NH2+]C1CC[NH+]([C@@H](C)Cc2ccccc2)CC1 ZINC000449185377 429353300 /nfs/dbraw/zinc/35/33/00/429353300.db2.gz AYJOKQWQMJLBFB-LPHOPBHVSA-N 2 0 304.478 2.833 20 0 DFADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CC2CC(F)(F)C2)[C@@H](C)C1 ZINC000425952306 429355195 /nfs/dbraw/zinc/35/51/95/429355195.db2.gz PAVNAMBISXEIFH-DZGCQCFKSA-N 2 0 304.425 2.758 20 0 DFADRP Fc1cnccc1C[NH+]1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000449232154 429363400 /nfs/dbraw/zinc/36/34/00/429363400.db2.gz SEVCFQCXJLOFKE-UHFFFAOYSA-N 2 0 321.440 2.545 20 0 DFADRP CCN(CC[NH2+][C@H]1CC[N@H+](CC)C[C@H]1C)CCC(F)(F)F ZINC000426079366 429363622 /nfs/dbraw/zinc/36/36/22/429363622.db2.gz PEWKBNCQEIEDPA-KGLIPLIRSA-N 2 0 309.420 2.581 20 0 DFADRP O=C(NCCC[NH+]1CCCCC1)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000365784430 429371912 /nfs/dbraw/zinc/37/19/12/429371912.db2.gz FYOWTSGZIICNSL-KRWDZBQOSA-N 2 0 321.509 2.633 20 0 DFADRP C[C@H]1OCC[C@H]1[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000426296146 429381600 /nfs/dbraw/zinc/38/16/00/429381600.db2.gz XCNQNKFNMJDUGX-IQZDNPOKSA-N 2 0 300.446 2.949 20 0 DFADRP C[C@H]1NC(=O)CC[C@@H]1[NH2+]C1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC000449300744 429381930 /nfs/dbraw/zinc/38/19/30/429381930.db2.gz FKLBNTYXGBYRCN-ZBFHGGJFSA-N 2 0 323.525 2.922 20 0 DFADRP C[NH+](C)CC1(C(=O)N2CC[C@@H]([NH+]3CCCCC3)C2)CCCCC1 ZINC000426377521 429386742 /nfs/dbraw/zinc/38/67/42/429386742.db2.gz IJAPDSDAMJMBQN-QGZVFWFLSA-N 2 0 321.509 2.585 20 0 DFADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)C[C@@H]2CCCC[C@H]2[NH3+])C1 ZINC000449325907 429388786 /nfs/dbraw/zinc/38/87/86/429388786.db2.gz QKFDSCNGBVWRTA-XWTMOSNGSA-N 2 0 323.525 2.768 20 0 DFADRP [NH3+][C@@H]1CCCC[C@@H]1CC(=O)NC1CC[NH+](CC2CCCC2)CC1 ZINC000449333164 429390089 /nfs/dbraw/zinc/39/00/89/429390089.db2.gz AKFOCAIPPSHXAB-SJLPKXTDSA-N 2 0 321.509 2.665 20 0 DFADRP C[C@H]([NH2+]CC1CC[NH+](CCc2ccccc2)CC1)[C@H]1CCOC1 ZINC000366238269 429439362 /nfs/dbraw/zinc/43/93/62/429439362.db2.gz OCLNFRCDTVCODC-PXNSSMCTSA-N 2 0 316.489 2.956 20 0 DFADRP C[C@@H]1CCCC[C@H]1[NH+]1CCC(NCC[N@H+]2CC=CCC2)CC1 ZINC000366251034 429441258 /nfs/dbraw/zinc/44/12/58/429441258.db2.gz UTTVZMJQRZLCJB-IEBWSBKVSA-N 2 0 305.510 2.881 20 0 DFADRP C[NH+](C)C1(CNC(=O)C[C@H]2CCC[NH2+]CC2)CCCCCC1 ZINC000427278304 429442311 /nfs/dbraw/zinc/44/23/11/429442311.db2.gz XYVBYRDOMJUEGU-INIZCTEOSA-N 2 0 309.498 2.537 20 0 DFADRP CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)C[C@H]1CCC[NH2+]CC1 ZINC000427290764 429442801 /nfs/dbraw/zinc/44/28/01/429442801.db2.gz WWDMDBMNNXHKGO-DLBZAZTESA-N 2 0 309.498 2.537 20 0 DFADRP CC(C)[N@@H+](C)C[C@@H](C)NC(=O)[C@H]1CCCC[NH+]1C1CCCC1 ZINC000427483158 429453511 /nfs/dbraw/zinc/45/35/11/429453511.db2.gz BXEQHDUWTHHHGB-NVXWUHKLSA-N 2 0 309.498 2.628 20 0 DFADRP C[C@H](Cc1cnn(C)c1)[NH2+]C1CC[NH+]([C@@H]2CCCC[C@@H]2C)CC1 ZINC000449582679 429455710 /nfs/dbraw/zinc/45/57/10/429455710.db2.gz GXHXVZUUOJSAOU-FRQCXROJSA-N 2 0 318.509 2.984 20 0 DFADRP Cc1ccc([C@H]([NH2+]C[C@H](O)C[NH+]2CCCC2)C2CCC2)cc1 ZINC000427617646 429458780 /nfs/dbraw/zinc/45/87/80/429458780.db2.gz JEHYEHYOBOJZKD-RBUKOAKNSA-N 2 0 302.462 2.883 20 0 DFADRP CCC1(C[NH2+][C@@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)COC1 ZINC000449602455 429459614 /nfs/dbraw/zinc/45/96/14/429459614.db2.gz DHTRLDGDIDSUMQ-WMZOPIPTSA-N 2 0 302.462 2.913 20 0 DFADRP CC1CC[NH+](Cc2ccc(NC(=O)/C=C\C[NH+](C)C)cc2)CC1 ZINC000491868664 429423628 /nfs/dbraw/zinc/42/36/28/429423628.db2.gz LWSBVFJYZGVNGB-PLNGDYQASA-N 2 0 315.461 2.975 20 0 DFADRP CCc1cc(N2CC[NH+]([C@@H]3CCOC3)CC2)c2ccccc2[nH+]1 ZINC000366858772 429527895 /nfs/dbraw/zinc/52/78/95/429527895.db2.gz XNUAKTKEIXSTBF-MRXNPFEDSA-N 2 0 311.429 2.708 20 0 DFADRP Cc1cc(C)c(CNC(=O)NCCC[N@H+]2CCCC[C@@H]2C)cn1 ZINC000457504041 429476362 /nfs/dbraw/zinc/47/63/62/429476362.db2.gz MIZVNNOTPMXCPR-INIZCTEOSA-N 2 0 318.465 2.762 20 0 DFADRP CC(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)C1CC[NH+](C(C)C)CC1 ZINC000427935923 429478247 /nfs/dbraw/zinc/47/82/47/429478247.db2.gz ZYPDALNUEUXJSL-GOSISDBHSA-N 2 0 323.525 2.734 20 0 DFADRP CC[N@H+](Cc1ccc(C(=O)N(C)C2(C[NH3+])CCC2)cc1)C1CC1 ZINC000449688425 429480770 /nfs/dbraw/zinc/48/07/70/429480770.db2.gz VAOSFBXJZQKHEX-UHFFFAOYSA-N 2 0 315.461 2.624 20 0 DFADRP C[C@H]([NH2+][C@@H]1CCC[C@@H]1CO)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000449712466 429487295 /nfs/dbraw/zinc/48/72/95/429487295.db2.gz RXEBLJQTJBOLRJ-JCHJZTRSSA-N 2 0 302.462 2.648 20 0 DFADRP CCC[N@H+](CC)Cc1ccc(C(=O)N[C@H]2CC[C@@H](C[NH3+])C2)cc1 ZINC000449720007 429488569 /nfs/dbraw/zinc/48/85/69/429488569.db2.gz HZMBKYPNPHBQBU-AEFFLSMTSA-N 2 0 317.477 2.776 20 0 DFADRP O[C@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)C1CCC1 ZINC000449740862 429493028 /nfs/dbraw/zinc/49/30/28/429493028.db2.gz RKDZAJIEBFIQOG-RAFMOHDBSA-N 2 0 314.473 2.933 20 0 DFADRP CCCc1nc(C)c(C[N@@H+]2CC[C@H](OCC[NH+](CC)CC)C2)o1 ZINC000428206300 429499179 /nfs/dbraw/zinc/49/91/79/429499179.db2.gz KOTHHXGGHRVGMN-INIZCTEOSA-N 2 0 323.481 2.868 20 0 DFADRP O=C(N[C@@H]1CC[N@@H+]2CCC[C@H]2C1)[C@H]1CCCC[NH+]1C1CCCC1 ZINC000449810443 429516396 /nfs/dbraw/zinc/51/63/96/429516396.db2.gz LXVRZHUNBBCNHQ-BPQIPLTHSA-N 2 0 319.493 2.527 20 0 DFADRP COC(=O)c1cc(C[N@@H+]2CCCC3(CC[NH+](C)CC3)C2)oc1C ZINC000366951984 429547948 /nfs/dbraw/zinc/54/79/48/429547948.db2.gz LDISOSGJENOCPX-UHFFFAOYSA-N 2 0 320.433 2.682 20 0 DFADRP Cc1noc(C2CCC([NH2+][C@@H]3CCC[C@H]3[C@@H]3CCC[NH2+]3)CC2)n1 ZINC000521993217 429573449 /nfs/dbraw/zinc/57/34/49/429573449.db2.gz SEBCNRXCDWAKKW-LMNGEROHSA-N 2 0 318.465 2.915 20 0 DFADRP C[N@@H+]1CC[C@]2(CCN(Cc3ccc(Oc4ccccc4)nn3)C2)C1 ZINC000429026450 429574581 /nfs/dbraw/zinc/57/45/81/429574581.db2.gz YMVRPXKKTMPQTO-IBGZPJMESA-N 2 0 324.428 2.797 20 0 DFADRP C[C@@H]1CCCC[N@@H+]1CCC1CC[NH+](CCc2ccnn2C)CC1 ZINC000367119760 429581010 /nfs/dbraw/zinc/58/10/10/429581010.db2.gz CADSJZJWRDNKAR-QGZVFWFLSA-N 2 0 318.509 2.939 20 0 DFADRP C[NH+]1CCC2(CCC[N@H+](CCCC(=O)OC(C)(C)C)C2)CC1 ZINC000366890736 429535018 /nfs/dbraw/zinc/53/50/18/429535018.db2.gz ZXCSHSMZOIBKJW-UHFFFAOYSA-N 2 0 310.482 2.916 20 0 DFADRP C[NH+]1CCC2(CCC[N@H+](CCCOCC(F)(F)F)C2)CC1 ZINC000366887871 429535501 /nfs/dbraw/zinc/53/55/01/429535501.db2.gz UNNZVFJKJSQXHU-UHFFFAOYSA-N 2 0 308.388 2.763 20 0 DFADRP C[C@H](NC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1)C(C)(C)C[NH+](C)C ZINC000449936621 429540703 /nfs/dbraw/zinc/54/07/03/429540703.db2.gz DSLCWMALTBQIFE-RDJZCZTQSA-N 2 0 323.525 2.876 20 0 DFADRP O=C(CC[C@@H]1CC[NH2+]C1)NC1CC[NH+](CC2CCCCC2)CC1 ZINC000366932995 429543351 /nfs/dbraw/zinc/54/33/51/429543351.db2.gz PISNIDDXEDUUTD-MRXNPFEDSA-N 2 0 321.509 2.537 20 0 DFADRP CCC[NH+](CCC)CCCC(=O)N1C[C@H]([NH+]2CCCC2)C[C@@H]1C ZINC000367331201 429622631 /nfs/dbraw/zinc/62/26/31/429622631.db2.gz DMEWPFUIJBKCKW-ZWKOTPCHSA-N 2 0 323.525 2.974 20 0 DFADRP C[NH+](CC1CC1)C[C@@H]1CCN(CC[N@@H+](C)Cc2ccccc2)C1 ZINC000450456777 429631309 /nfs/dbraw/zinc/63/13/09/429631309.db2.gz UJVNCTXCWLKVAT-FQEVSTJZSA-N 2 0 315.505 2.782 20 0 DFADRP CC1CC[NH+]([C@H](CNC(=O)C2([NH3+])CCC2)c2cccs2)CC1 ZINC000296915332 275941832 /nfs/dbraw/zinc/94/18/32/275941832.db2.gz RQSZXFMCMDWEAT-CQSZACIVSA-N 2 0 321.490 2.519 20 0 DFADRP CC[N@@H+]1CC[C@H](N(C)CC[NH+](C)Cc2ccccc2)[C@H](C)C1 ZINC000450557933 429648743 /nfs/dbraw/zinc/64/87/43/429648743.db2.gz DHUNHPYLHMIWRR-MJGOQNOKSA-N 2 0 303.494 2.781 20 0 DFADRP CC(C)[NH+]1CCC([NH2+]C[C@@]2(CO)C[C@H]2c2ccc(F)cc2)CC1 ZINC000429432747 429608276 /nfs/dbraw/zinc/60/82/76/429608276.db2.gz VGHLTODIGPYZMR-RBUKOAKNSA-N 2 0 320.452 2.754 20 0 DFADRP CCC[N@H+](CC)Cc1ccc(C(=O)N2C[C@@H](C)[NH2+][C@@H](C)C2)cc1 ZINC000429405729 429608353 /nfs/dbraw/zinc/60/83/53/429608353.db2.gz LWRADGRMQDDSIA-IYBDPMFKSA-N 2 0 317.477 2.741 20 0 DFADRP C[C@@H]1CCC[C@H]([NH+]2CCC([NH2+][C@@H](CO)CC(F)F)CC2)C1 ZINC000429461816 429609801 /nfs/dbraw/zinc/60/98/01/429609801.db2.gz MWKNIXHWXJEKSE-YUELXQCFSA-N 2 0 304.425 2.635 20 0 DFADRP OC[C@H](CC(F)F)[NH2+][C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000429453797 429610277 /nfs/dbraw/zinc/61/02/77/429610277.db2.gz RWLPWJIGNWXAQO-LUKYLMHMSA-N 2 0 324.415 2.503 20 0 DFADRP C[C@H](C(=O)NCc1ccc([C@H](C)[NH3+])cc1)[NH+]1CCCCCC1 ZINC000429485644 429611248 /nfs/dbraw/zinc/61/12/48/429611248.db2.gz UFVCEVHAYIYVBX-LSDHHAIUSA-N 2 0 303.450 2.587 20 0 DFADRP C[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+][C@@H](CO)CC(F)F)CC1 ZINC000429470200 429611324 /nfs/dbraw/zinc/61/13/24/429611324.db2.gz MMPKRFPEYMQAKC-BPLDGKMQSA-N 2 0 304.425 2.635 20 0 DFADRP CCN(CCC[N@@H+]1CCC[C@H]([NH+](C)C)CC1)CC(F)(F)F ZINC000429536164 429614295 /nfs/dbraw/zinc/61/42/95/429614295.db2.gz JMRMLTXGZBGQGG-AWEZNQCLSA-N 2 0 309.420 2.677 20 0 DFADRP CN(CC[N@H+](C)CCc1ccc(Cl)cc1)C1CC[NH+](C)CC1 ZINC000450630425 429664017 /nfs/dbraw/zinc/66/40/17/429664017.db2.gz SKEDRGBGPDYRIY-UHFFFAOYSA-N 2 0 323.912 2.840 20 0 DFADRP CCC[N@@H+](C[C@@H]1COc2ccccc2O1)C[C@H]1CCC[NH2+]C1 ZINC000262552898 276000581 /nfs/dbraw/zinc/00/05/81/276000581.db2.gz STHJBPVBWXNLGZ-JKSUJKDBSA-N 2 0 304.434 2.538 20 0 DFADRP COc1ccc(OC)c(CC[NH2+][C@@H]2CC[N@H+](C)[C@@H]3CCC[C@@H]32)c1 ZINC000367526031 429666077 /nfs/dbraw/zinc/66/60/77/429666077.db2.gz FTJDMFLJCNANBW-KZNAEPCWSA-N 2 0 318.461 2.709 20 0 DFADRP CC(C)[C@H]([NH2+]C1CC[NH+]([C@H]2CCC[C@@H]2O)CC1)c1cccnc1 ZINC000359296134 276022498 /nfs/dbraw/zinc/02/24/98/276022498.db2.gz AVRRKESALADRJN-FHWLQOOXSA-N 2 0 317.477 2.746 20 0 DFADRP C[C@@H]1C[N@H+](CCC2=CCCCC2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000450646462 429668440 /nfs/dbraw/zinc/66/84/40/429668440.db2.gz MVNPGORROPUJTM-IEBWSBKVSA-N 2 0 305.510 2.835 20 0 DFADRP CCC[C@H]([NH3+])C(=O)NCc1ccccc1C[N@@H+]1CCCC[C@@H]1C ZINC000236883166 276043031 /nfs/dbraw/zinc/04/30/31/276043031.db2.gz RTAWEYJQIXRRMW-YJBOKZPZSA-N 2 0 317.477 2.805 20 0 DFADRP C[C@@H]1CCN(Cc2nnc(C3CC3)s2)C[C@@H]1n1ccnc1 ZINC000450589367 429653480 /nfs/dbraw/zinc/65/34/80/429653480.db2.gz HCQBLCWRMMDYAU-YPMHNXCESA-N 2 0 303.435 2.695 20 0 DFADRP CC[N@H+](C)Cc1cccc(CNC(=O)[C@@H]2CCCC[C@]2(C)[NH3+])c1 ZINC000262896424 276075975 /nfs/dbraw/zinc/07/59/75/276075975.db2.gz DCQFWTRDFZZNNA-HKUYNNGSSA-N 2 0 317.477 2.662 20 0 DFADRP CC1(C)C[C@H]([NH2+]C2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)C(C)(C)O1 ZINC000090523787 276148334 /nfs/dbraw/zinc/14/83/34/276148334.db2.gz RQNFSNMPBWMXCW-IKGGRYGDSA-N 2 0 324.509 2.690 20 0 DFADRP CC1CC[NH+](CC2CC[NH+](C[C@H]3CC4(CC4)C(=O)O3)CC2)CC1 ZINC000365420142 276196427 /nfs/dbraw/zinc/19/64/27/276196427.db2.gz DPSJSEJVYCIJHY-QGZVFWFLSA-N 2 0 320.477 2.526 20 0 DFADRP C[C@@H](NCc1cn(CC2CC2)nn1)c1cccc(-n2ccnc2)c1 ZINC000450714517 429682914 /nfs/dbraw/zinc/68/29/14/429682914.db2.gz UYVBMSOODDUZKN-CQSZACIVSA-N 2 0 322.416 2.725 20 0 DFADRP CC[N@@H+]1CC[C@H]([NH2+]CCc2ccc(NC(C)=O)cc2)[C@H](C)C1 ZINC000165612588 276228675 /nfs/dbraw/zinc/22/86/75/276228675.db2.gz SGTNZJZIYKLNJC-KDOFPFPSSA-N 2 0 303.450 2.507 20 0 DFADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@H](C)N2CCc3ccccc3C2)[C@H](C)C1 ZINC000247164735 276229438 /nfs/dbraw/zinc/22/94/38/276229438.db2.gz XZNSYDBVDMKYOI-UWVAXJGDSA-N 2 0 315.505 2.753 20 0 DFADRP C[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CCN(c3ccccc3)C2)[C@@H]2CCC[C@H]21 ZINC000367611161 429684857 /nfs/dbraw/zinc/68/48/57/429684857.db2.gz AMJWTZDAZSSYOS-FRYIKTPZSA-N 2 0 313.489 2.975 20 0 DFADRP CC[NH+](CC)CC(=O)N1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000157677273 276321570 /nfs/dbraw/zinc/32/15/70/276321570.db2.gz GQUYINYUNNFHON-KRWDZBQOSA-N 2 0 323.525 2.831 20 0 DFADRP CCO[C@@H]1C[C@@H]([NH2+]C2CC[NH+](C3CCCCC3)CC2)[C@H]1OC ZINC000357239152 276344284 /nfs/dbraw/zinc/34/42/84/276344284.db2.gz RHHJXCGVLALKOE-KZNAEPCWSA-N 2 0 310.482 2.566 20 0 DFADRP CC[N@@H+]1CCCC[C@@H]1C(=O)NCCCCC[NH+]1CCCCC1 ZINC000111039366 276361780 /nfs/dbraw/zinc/36/17/80/276361780.db2.gz QJPJQZVDPCKGCZ-QGZVFWFLSA-N 2 0 309.498 2.633 20 0 DFADRP CC[NH2+]CC1CC[NH+](CCCOc2ccc3c(c2)OCO3)CC1 ZINC000430581784 429697372 /nfs/dbraw/zinc/69/73/72/429697372.db2.gz PBCZSHQMZIDHMU-UHFFFAOYSA-N 2 0 320.433 2.506 20 0 DFADRP C[NH2+]C[C@@H]1CCC[N@H+](Cc2ccc(-n3nc(C)cc3C)cc2)C1 ZINC000430659628 429707472 /nfs/dbraw/zinc/70/74/72/429707472.db2.gz BJQQWAXZJAZUPQ-SFHVURJKSA-N 2 0 312.461 2.921 20 0 DFADRP C[N@H+](CCCn1ccnc1)Cc1cncn1Cc1ccccc1 ZINC000527076099 429720572 /nfs/dbraw/zinc/72/05/72/429720572.db2.gz PRVXPBBMBVNACV-UHFFFAOYSA-N 2 0 309.417 2.650 20 0 DFADRP Cc1ccccc1[C@H](C)NC(=O)[C@H](C)[NH+]1CCC([C@@H](C)[NH3+])CC1 ZINC000430917429 429722868 /nfs/dbraw/zinc/72/28/68/429722868.db2.gz DDZUBNSSLLRQEM-PMPSAXMXSA-N 2 0 317.477 2.620 20 0 DFADRP CCc1ccc(NC(=O)[C@H](C)[NH+]2CCC(C[NH2+]C)CC2)cc1 ZINC000430935300 429725166 /nfs/dbraw/zinc/72/51/66/429725166.db2.gz STFHKORHEAHVBX-AWEZNQCLSA-N 2 0 303.450 2.507 20 0 DFADRP CC(C)[C@H]1CC[C@@H](C)C[C@@H]1[NH2+]CCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000482541100 429725467 /nfs/dbraw/zinc/72/54/67/429725467.db2.gz DRQSRPTWVWCOEI-TVFCKZIOSA-N 2 0 323.525 2.624 20 0 DFADRP C[C@@H]1C[N@H+](C)CC[C@H]1NC[C@H]1CCC[NH+]1CC1CCCCC1 ZINC000482892838 429727954 /nfs/dbraw/zinc/72/79/54/429727954.db2.gz YSKGOBHORPZWPJ-BHIYHBOVSA-N 2 0 307.526 2.961 20 0 DFADRP C[C@@H]([NH3+])C1CC[NH+]([C@@H]2CCN(c3ccc(Cl)cc3)C2=O)CC1 ZINC000430968982 429730884 /nfs/dbraw/zinc/73/08/84/429730884.db2.gz ZYJICRUFBSSIPK-MLGOLLRUSA-N 2 0 321.852 2.505 20 0 DFADRP COc1cc(C)c(C[NH+]2CCC3(CC[NH2+]C3)CC2)cc1OC ZINC000430967492 429732315 /nfs/dbraw/zinc/73/23/15/429732315.db2.gz SPSWLGMTQSVFEG-UHFFFAOYSA-N 2 0 304.434 2.588 20 0 DFADRP CCNC(=O)C[C@H]1CCCC[N@@H+]1C[C@H]1CCCCN1C(C)C ZINC000450937524 429734196 /nfs/dbraw/zinc/73/41/96/429734196.db2.gz IAWASKRZZGMTSM-IAGOWNOFSA-N 2 0 309.498 2.630 20 0 DFADRP Cc1ccc(C)c(NC(=O)[C@H](C)[NH+]2CCC3(CC[NH2+]C3)CC2)c1 ZINC000431038568 429738049 /nfs/dbraw/zinc/73/80/49/429738049.db2.gz DLQQLRKVYWMCCE-INIZCTEOSA-N 2 0 315.461 2.706 20 0 DFADRP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@@H+]2CCCc1cccc(F)c1 ZINC000367915141 429742322 /nfs/dbraw/zinc/74/23/22/429742322.db2.gz CIJRFNKIMULUNZ-CEXWTWQISA-N 2 0 320.452 2.942 20 0 DFADRP COc1cc(C[N@@H+]2CC[C@@H](C3CC[NH+](C)CC3)C2)ccc1O ZINC000368137203 429797593 /nfs/dbraw/zinc/79/75/93/429797593.db2.gz YEKDLIFLNZIHJS-MRXNPFEDSA-N 2 0 304.434 2.565 20 0 DFADRP Cc1ncc(C[N@@H+]2CC[C@H](n3cnc4c3CCCC4)C2)s1 ZINC000432072978 429798308 /nfs/dbraw/zinc/79/83/08/429798308.db2.gz VBQYXLGSZDHILW-ZDUSSCGKSA-N 2 0 302.447 2.974 20 0 DFADRP Cc1[nH+]c2c(n1[C@H]1CCN(Cc3nccc(C)n3)C1)CCCC2 ZINC000432075887 429798469 /nfs/dbraw/zinc/79/84/69/429798469.db2.gz JWDPUHFCHCWDFV-HNNXBMFYSA-N 2 0 311.433 2.616 20 0 DFADRP Cc1nc2c(n1[C@H]1CC[N@H+](C[C@H]3CCCOC3)C1)CCCC2 ZINC000432081748 429799112 /nfs/dbraw/zinc/79/91/12/429799112.db2.gz RUOOZVSBIAYYQX-CVEARBPZSA-N 2 0 303.450 2.744 20 0 DFADRP CCCCC[C@H]1CCC[N@@H+]1CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000486812012 429751477 /nfs/dbraw/zinc/75/14/77/429751477.db2.gz YCKQFMMGCGHLIZ-KRWDZBQOSA-N 2 0 321.509 2.774 20 0 DFADRP CC[NH+]1CCN(c2ccc(C[NH2+][C@@H](C)[C@H]3CC3(C)C)cn2)CC1 ZINC000486945070 429755251 /nfs/dbraw/zinc/75/52/51/429755251.db2.gz PYMVXMNIEGYNAT-DOTOQJQBSA-N 2 0 316.493 2.748 20 0 DFADRP Cc1cc(C[N@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@@H]32)cc(C)c1O ZINC000368018203 429767827 /nfs/dbraw/zinc/76/78/27/429767827.db2.gz IZPSMOCEQCFEID-OKZBNKHCSA-N 2 0 318.461 2.693 20 0 DFADRP O=C(NCCC[NH+]1CCCCC1)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC000431629665 429773801 /nfs/dbraw/zinc/77/38/01/429773801.db2.gz XTHLCAYAXOFNOW-SFHVURJKSA-N 2 0 321.509 2.776 20 0 DFADRP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CN(C2CC2)C[C@H]1C ZINC000493602781 429794245 /nfs/dbraw/zinc/79/42/45/429794245.db2.gz ORTDAWFPWSOPLK-NEPXVJNWSA-N 2 0 307.526 2.959 20 0 DFADRP COc1cccc([C@@H](C[NH2+]C2CC[NH+](CC3CC3)CC2)OC)c1 ZINC000527920943 429820751 /nfs/dbraw/zinc/82/07/51/429820751.db2.gz OTFBNLLNBUQYCZ-LJQANCHMSA-N 2 0 318.461 2.847 20 0 DFADRP C[NH+]1CCC(CC(=O)N2CCC[C@@H]([NH+]3CCCCCC3)C2)CC1 ZINC000368277476 429823199 /nfs/dbraw/zinc/82/31/99/429823199.db2.gz SJURMFFLMCFOHY-GOSISDBHSA-N 2 0 321.509 2.585 20 0 DFADRP CC(C)[C@@H](Cn1cccn1)[NH2+]C[C@H]1CCN1C1CCCCC1 ZINC000527948992 429826814 /nfs/dbraw/zinc/82/68/14/429826814.db2.gz NPNDYJDNOAVZSD-QZTJIDSGSA-N 2 0 304.482 2.904 20 0 DFADRP CCO[C@@]1(C)C[C@H]1[NH2+][C@H](C)c1cccc(OCC[NH+](C)C)c1 ZINC000527973142 429830072 /nfs/dbraw/zinc/83/00/72/429830072.db2.gz FTDFRFPHLWYHFV-OLMNPRSZSA-N 2 0 306.450 2.845 20 0 DFADRP CC[NH+](CC)Cc1cc([C@H](C)[NH2+]CC2CC(O)C2)ccc1OC ZINC000528020084 429837325 /nfs/dbraw/zinc/83/73/25/429837325.db2.gz XLQBRVXQZDZITL-SYJJWHGVSA-N 2 0 320.477 2.959 20 0 DFADRP c1ccc(C[N@H+]2CC[C@H]([NH2+]CC3COC3)[C@H]3CCC[C@@H]32)cc1 ZINC000528032313 429840704 /nfs/dbraw/zinc/84/07/04/429840704.db2.gz ZXFQHWGXTQFKAD-QYZOEREBSA-N 2 0 300.446 2.666 20 0 DFADRP c1ccc(C[N@H+]2CC[C@H]([NH2+]CC3COC3)[C@H]3CCC[C@H]32)cc1 ZINC000528032310 429840938 /nfs/dbraw/zinc/84/09/38/429840938.db2.gz ZXFQHWGXTQFKAD-CEXWTWQISA-N 2 0 300.446 2.666 20 0 DFADRP Cc1cc(NC[C@H]2CC[N@@H+]2C2CCCC2)nc(-c2ccncc2)n1 ZINC000528209284 429862121 /nfs/dbraw/zinc/86/21/21/429862121.db2.gz MNWKHBQMQQCPLO-QGZVFWFLSA-N 2 0 323.444 2.698 20 0 DFADRP COCC[N@H+](C)CCC[NH2+]Cc1ccc2nc(C)sc2c1 ZINC000494331483 429867571 /nfs/dbraw/zinc/86/75/71/429867571.db2.gz PWHCKLAWEMVUMV-UHFFFAOYSA-N 2 0 307.463 2.663 20 0 DFADRP OCC[NH+]1CCC(C[NH2+]Cc2csc(Cl)c2Cl)CC1 ZINC000432238306 429810343 /nfs/dbraw/zinc/81/03/43/429810343.db2.gz PFFRYEBXAQQSJS-UHFFFAOYSA-N 2 0 323.289 2.849 20 0 DFADRP CC[C@H](C(=O)NC[C@H](c1ccco1)[NH+]1CCCC1)[NH+](CC)CC ZINC000265423123 276609421 /nfs/dbraw/zinc/60/94/21/276609421.db2.gz JRAKMSZDPTZZQG-HZPDHXFCSA-N 2 0 321.465 2.653 20 0 DFADRP C[C@H]([NH2+]CC1(N2CCCCC2)CC[NH+](C)CC1)[C@@H]1CC12CC2 ZINC000527872008 429813145 /nfs/dbraw/zinc/81/31/45/429813145.db2.gz WIZCBSAGBZOVEH-IRXDYDNUSA-N 2 0 305.510 2.715 20 0 DFADRP C[C@H](C[C@H](O)c1ccccc1)[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@H]21 ZINC000368607581 429877439 /nfs/dbraw/zinc/87/74/39/429877439.db2.gz ILKNNSIPXULXHF-XXQMMXQMSA-N 2 0 302.462 2.961 20 0 DFADRP C[C@H](C[C@H](O)c1ccccc1)[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@@H]21 ZINC000368607578 429877967 /nfs/dbraw/zinc/87/79/67/429877967.db2.gz ILKNNSIPXULXHF-DBDQLMEASA-N 2 0 302.462 2.961 20 0 DFADRP CC(C)[N@H+](C)CC1CC[NH+](Cc2cc(CO)ccc2F)CC1 ZINC000528371926 429881711 /nfs/dbraw/zinc/88/17/11/429881711.db2.gz LXZYCBFVWGGYML-UHFFFAOYSA-N 2 0 308.441 2.870 20 0 DFADRP C/C(Cl)=C\C[NH+]1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000528439074 429889523 /nfs/dbraw/zinc/88/95/23/429889523.db2.gz LHTWAQHNVMDDRJ-SYZQJQIISA-N 2 0 300.874 2.953 20 0 DFADRP C(CC[NH+]1CCO[C@H]2CCC[C@@H]21)CC[N@@H+]1CCO[C@@H]2CCC[C@@H]21 ZINC000368736151 429891126 /nfs/dbraw/zinc/89/11/26/429891126.db2.gz NHGVHQXZZAXYKL-CADBVGFASA-N 2 0 322.493 2.663 20 0 DFADRP CO[C@@H](Cc1ccc(F)cc1)C[N@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000528507762 429894391 /nfs/dbraw/zinc/89/43/91/429894391.db2.gz USPNIQHDPZKGEF-SWDXFRIISA-N 2 0 320.452 2.940 20 0 DFADRP CO[C@H](CN1CC[C@]2(C1)CCC[N@H+](C)C2)c1ccc(F)cc1 ZINC000528511715 429895658 /nfs/dbraw/zinc/89/56/58/429895658.db2.gz HCZNKUYZSHENIG-QZTJIDSGSA-N 2 0 306.425 2.931 20 0 DFADRP C[N@@H+]1CCC[C@H](N2CC[NH+]([C@H]3CCCc4ccccc43)CC2)C1 ZINC000369353291 429928932 /nfs/dbraw/zinc/92/89/32/429928932.db2.gz BXGYTPRHJFDRHS-ICSRJNTNSA-N 2 0 313.489 2.776 20 0 DFADRP CC(C)[NH+]1CCN(CCC[N@@H+]2CCC(F)(F)C[C@H]2C)CC1 ZINC000528768322 429914677 /nfs/dbraw/zinc/91/46/77/429914677.db2.gz JTSSBIKLDFERQC-OAHLLOKOSA-N 2 0 303.441 2.522 20 0 DFADRP CC[N@H+](C)C[C@@H](O)C[NH2+]C1(Cc2ccccc2)CCCCC1 ZINC000573101151 429926042 /nfs/dbraw/zinc/92/60/42/429926042.db2.gz INCNPXSZGNCGRZ-SFHVURJKSA-N 2 0 304.478 2.834 20 0 DFADRP Fc1ccc(Br)cc1C[NH2+][C@@H]1CCn2ccnc2C1 ZINC000494446794 429873801 /nfs/dbraw/zinc/87/38/01/429873801.db2.gz WSIXNGOWQLLSNL-GFCCVEGCSA-N 2 0 324.197 2.889 20 0 DFADRP C[C@H](O)C[NH+]1CCC2(CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000639724833 429959367 /nfs/dbraw/zinc/95/93/67/429959367.db2.gz GIUPZCJADUBALB-KRWDZBQOSA-N 2 0 302.462 2.745 20 0 DFADRP CC(C)[N@@H+](C)C[C@H](C)N[C@@H]1C[C@@H](C)[NH+](Cc2ccccc2)C1 ZINC000573610548 429965408 /nfs/dbraw/zinc/96/54/08/429965408.db2.gz OJUAHVRSYWMKCF-YQVWRLOYSA-N 2 0 303.494 2.968 20 0 DFADRP CCN(CCC[N@@H+]1CCC2(C1)CC[NH+](C)CC2)CC(F)(F)F ZINC000639757160 429971371 /nfs/dbraw/zinc/97/13/71/429971371.db2.gz HRRCXHTYTNNGRY-UHFFFAOYSA-N 2 0 321.431 2.678 20 0 DFADRP CCc1ccc(NC(=O)C[N@@H+]2CCC3(C2)CC[NH+](C)CC3)cc1 ZINC000639757389 429971493 /nfs/dbraw/zinc/97/14/93/429971493.db2.gz KROMRQYYQPCSLF-UHFFFAOYSA-N 2 0 315.461 2.605 20 0 DFADRP Cc1cc(C)cc(NC(=O)C[N@H+]2CCC3(C2)CC[NH+](C)CC3)c1 ZINC000639757119 429971566 /nfs/dbraw/zinc/97/15/66/429971566.db2.gz GDJDDLKDZLEIIG-UHFFFAOYSA-N 2 0 315.461 2.660 20 0 DFADRP COc1ccc(C[N@@H+]2CCC[C@@H]3C[NH+](C)CC[C@H]32)c(C)c1OC ZINC000558423522 429972126 /nfs/dbraw/zinc/97/21/26/429972126.db2.gz MGPGFIXQKYLENM-IAGOWNOFSA-N 2 0 318.461 2.928 20 0 DFADRP COc1ccc(C[N@@H+]2CCC[C@H]3C[NH+](C)CC[C@H]32)c(C)c1OC ZINC000558423521 429972425 /nfs/dbraw/zinc/97/24/25/429972425.db2.gz MGPGFIXQKYLENM-DLBZAZTESA-N 2 0 318.461 2.928 20 0 DFADRP C[NH+](C)C[C@]1(O)CCC[N@H+](CC2CCC(C(F)(F)F)CC2)C1 ZINC000639761346 429972503 /nfs/dbraw/zinc/97/25/03/429972503.db2.gz ASHYOKREOHQUBZ-YMAMQOFZSA-N 2 0 322.415 2.744 20 0 DFADRP C[C@H]([NH2+][C@@H]1CCCC[C@H]1C[NH3+])c1cccc(N2CCOCC2)c1 ZINC000573711343 429975089 /nfs/dbraw/zinc/97/50/89/429975089.db2.gz HVRMOZSUJZJBJM-VDZJLULYSA-N 2 0 317.477 2.691 20 0 DFADRP [NH3+][C@H]1CCC[C@H]([NH2+]C2CC(N3CCC(C(F)(F)F)CC3)C2)C1 ZINC000573741395 429978651 /nfs/dbraw/zinc/97/86/51/429978651.db2.gz IBUMLCHQJKIWEG-HESLUPGFSA-N 2 0 319.415 2.651 20 0 DFADRP C[C@@H]1C[N@H+](C[C@]2(O)CCN(Cc3ccccc3)C2)CCC1(F)F ZINC000639646887 429929587 /nfs/dbraw/zinc/92/95/87/429929587.db2.gz VIBUXIXXOMFEFG-NVXWUHKLSA-N 2 0 324.415 2.601 20 0 DFADRP C[C@@H]1C[N@H+](C[C@@]2(O)CCN(Cc3ccccc3)C2)CCC1(F)F ZINC000639646892 429929906 /nfs/dbraw/zinc/92/99/06/429929906.db2.gz VIBUXIXXOMFEFG-WBVHZDCISA-N 2 0 324.415 2.601 20 0 DFADRP C[N@@H+]1CCC[C@@]2(CC[NH+](Cc3cccc4c3CCOC4)C2)C1 ZINC000639657189 429933428 /nfs/dbraw/zinc/93/34/28/429933428.db2.gz WJONYQLJCIAZTI-LJQANCHMSA-N 2 0 300.446 2.677 20 0 DFADRP c1cc(N2CCC[N@@H+](CCCC3CCOCC3)CC2)cc[nH+]1 ZINC000639682828 429945015 /nfs/dbraw/zinc/94/50/15/429945015.db2.gz AMJHCXNYVCTDPE-UHFFFAOYSA-N 2 0 303.450 2.801 20 0 DFADRP Clc1cncc(CN2CCCN(c3cc[nH+]cc3)CC2)c1 ZINC000639685507 429946443 /nfs/dbraw/zinc/94/64/43/429946443.db2.gz UCRMCHNKIUILRV-UHFFFAOYSA-N 2 0 302.809 2.842 20 0 DFADRP C[N@@H+]1CCC[C@@H]1CN[C@@H]1CC[NH+](Cc2ccccc2)C2(CC2)C1 ZINC000574322195 430031310 /nfs/dbraw/zinc/03/13/10/430031310.db2.gz RCCUCPXHOXVDTB-RTBURBONSA-N 2 0 313.489 2.867 20 0 DFADRP Cc1ccc(C[NH+]2CC[C@@H](C[N@H+](C)CCn3cccn3)C2)s1 ZINC000574320008 430031363 /nfs/dbraw/zinc/03/13/63/430031363.db2.gz HVYCYWJNXXGJEY-INIZCTEOSA-N 2 0 318.490 2.707 20 0 DFADRP CC(C)CCNC(=O)[C@@H](C)[NH+]1CCC(C[N@H+](C)C(C)C)CC1 ZINC000560336481 430032079 /nfs/dbraw/zinc/03/20/79/430032079.db2.gz HYNMICLKPSDVKO-MRXNPFEDSA-N 2 0 311.514 2.589 20 0 DFADRP CCC1([NH+]2CCCC2)CCN([C@H](C)C(=O)NCCC(C)C)CC1 ZINC000639987406 430046442 /nfs/dbraw/zinc/04/64/42/430046442.db2.gz DQMALJYPENOMJO-QGZVFWFLSA-N 2 0 323.525 2.878 20 0 DFADRP CCC1([NH+]2CCCC2)CCN(Cc2ccc(OC)cn2)CC1 ZINC000639987128 430046736 /nfs/dbraw/zinc/04/67/36/430046736.db2.gz WYWFLAVXVVWRFA-UHFFFAOYSA-N 2 0 303.450 2.931 20 0 DFADRP CCC1([NH+]2CCCC2)CCN(Cc2cc(OC)ccn2)CC1 ZINC000639987636 430046909 /nfs/dbraw/zinc/04/69/09/430046909.db2.gz HIHQYGUMEATAOR-UHFFFAOYSA-N 2 0 303.450 2.931 20 0 DFADRP C[NH+](C)[C@H]1CCN(Cc2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC000639805953 429987702 /nfs/dbraw/zinc/98/77/02/429987702.db2.gz OOODYGWISWDTQN-IBGZPJMESA-N 2 0 301.478 2.808 20 0 DFADRP CN1CC[NH+](CCCC[NH2+]CCSCc2ccccc2)CC1 ZINC000559324947 430004964 /nfs/dbraw/zinc/00/49/64/430004964.db2.gz ZZEMUSRFZFMTSN-UHFFFAOYSA-N 2 0 321.534 2.537 20 0 DFADRP C[NH+](C)Cc1cccc(C[NH2+]C[C@H](O)Cc2ccc(F)cc2)c1 ZINC000574191666 430020512 /nfs/dbraw/zinc/02/05/12/430020512.db2.gz HWLPHNZVDJMILW-LJQANCHMSA-N 2 0 316.420 2.581 20 0 DFADRP C[C@H]([NH2+]Cc1ccnc(OCC[NH+](C)C)c1)C1CC(F)(F)C1 ZINC000529542647 430026318 /nfs/dbraw/zinc/02/63/18/430026318.db2.gz RASWFNZVZASTPG-LBPRGKRZSA-N 2 0 313.392 2.545 20 0 DFADRP CCOc1cc(C[NH2+][C@@H]2CC[NH2+]CC(C)(C)C2)ccc1OC ZINC000634733105 430093168 /nfs/dbraw/zinc/09/31/68/430093168.db2.gz XBPQXVHDRIXHAX-OAHLLOKOSA-N 2 0 306.450 2.962 20 0 DFADRP CC1(C)C[NH2+]CC[C@@H]([NH2+]Cc2cnc3ccc(Cl)cn23)C1 ZINC000634732768 430094017 /nfs/dbraw/zinc/09/40/17/430094017.db2.gz OKWMBJUXUXIJRO-CYBMUJFWSA-N 2 0 306.841 2.856 20 0 DFADRP C[C@@H](C1C[NH2+]C1)[NH+]1CCC(Cc2nc(C3CCCC3)no2)CC1 ZINC000530211571 430104311 /nfs/dbraw/zinc/10/43/11/430104311.db2.gz MPKBVIGCDFXPNR-ZDUSSCGKSA-N 2 0 318.465 2.590 20 0 DFADRP CO[C@H](C[N@@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1)c1ccc(F)cc1 ZINC000530221069 430104915 /nfs/dbraw/zinc/10/49/15/430104915.db2.gz CEKRZFYPQNGJBE-BPQIPLTHSA-N 2 0 306.425 2.977 20 0 DFADRP CO[C@H](Cc1ccc(F)cc1)C[N@@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000530220933 430106213 /nfs/dbraw/zinc/10/62/13/430106213.db2.gz KQQYHZKVSOUBDV-UHOSZYNNSA-N 2 0 320.452 2.847 20 0 DFADRP CC[NH+](CC)Cc1ccc(C(=O)N[C@H]2CC[NH2+]CC(C)(C)C2)o1 ZINC000634762270 430106656 /nfs/dbraw/zinc/10/66/56/430106656.db2.gz SWWRLOWNAXYBDV-AWEZNQCLSA-N 2 0 321.465 2.629 20 0 DFADRP Fc1ccc(C[NH+]2CCC(CO[C@H]3CC[NH2+]C3)CC2)c(F)c1 ZINC000530243031 430107865 /nfs/dbraw/zinc/10/78/65/430107865.db2.gz UQINUOFDKJBOKG-INIZCTEOSA-N 2 0 310.388 2.555 20 0 DFADRP COCC1([NH2+]C2CC[NH+]([C@@H]3CCC[C@@H](C)C3)CC2)CCOCC1 ZINC000560556373 430055221 /nfs/dbraw/zinc/05/52/21/430055221.db2.gz DHIBDXBJIYEJMU-SJLPKXTDSA-N 2 0 324.509 2.815 20 0 DFADRP CCc1ccccc1[C@H]([NH3+])CN[C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000560966702 430071342 /nfs/dbraw/zinc/07/13/42/430071342.db2.gz LDRBDCRSXVJYLW-AKHDSKFASA-N 2 0 301.478 2.759 20 0 DFADRP C[C@H](C[NH3+])C[NH2+][C@H](C)CC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000560942847 430072163 /nfs/dbraw/zinc/07/21/63/430072163.db2.gz VWZOBEJHUCKCBI-GHMZBOCLSA-N 2 0 317.355 2.607 20 0 DFADRP CC(C)[C@H]([NH2+]CC1(O)CC[NH+](C)CC1)c1ccc(F)cc1F ZINC000634680576 430075199 /nfs/dbraw/zinc/07/51/99/430075199.db2.gz WJZPKNZJRVIEFL-INIZCTEOSA-N 2 0 312.404 2.708 20 0 DFADRP CC(C)[C@@H]([NH2+]CC1(O)CC[NH+](C)CC1)c1ccc(F)cc1F ZINC000634680577 430075325 /nfs/dbraw/zinc/07/53/25/430075325.db2.gz WJZPKNZJRVIEFL-MRXNPFEDSA-N 2 0 312.404 2.708 20 0 DFADRP Cc1cc(N(C)[C@@H]2CC[NH2+]C2)c2cc(OC(F)F)ccc2[nH+]1 ZINC000561264779 430085081 /nfs/dbraw/zinc/08/50/81/430085081.db2.gz QPMRDWOKQZXIAS-LLVKDONJSA-N 2 0 307.344 2.943 20 0 DFADRP C[C@@H]1C[C@H](CC[NH2+]CC2(O)CCC2)C[N@@H+]1Cc1ccccc1 ZINC000580769672 430150557 /nfs/dbraw/zinc/15/05/57/430150557.db2.gz ZNUIQQRHVSCVTH-AEFFLSMTSA-N 2 0 302.462 2.792 20 0 DFADRP Cn1nc2c(c1C[NH+]1CCC(C[NH+]3CCCC3)CC1)CCCC2 ZINC000637906558 430167687 /nfs/dbraw/zinc/16/76/87/430167687.db2.gz VKRDMKWSIQZARM-UHFFFAOYSA-N 2 0 316.493 2.607 20 0 DFADRP Cn1ccnc1[C@H](C1CC1)[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000637905925 430168513 /nfs/dbraw/zinc/16/85/13/430168513.db2.gz OMNMKBNNQZNTIM-KRWDZBQOSA-N 2 0 302.466 2.679 20 0 DFADRP Cc1ccc([C@H](CCn2cncn2)[NH2+]CCC[NH2+]C(C)C)cc1 ZINC000580639965 430140655 /nfs/dbraw/zinc/14/06/55/430140655.db2.gz XZDATRGQYBFJSA-SFHVURJKSA-N 2 0 315.465 2.696 20 0 DFADRP CCN(c1ccnc(NCc2cncn2C)n1)C1CCCC1 ZINC000580730494 430148753 /nfs/dbraw/zinc/14/87/53/430148753.db2.gz ULZPZJPHUKNTLV-UHFFFAOYSA-N 2 0 300.410 2.591 20 0 DFADRP c1cnc2cc(C[NH2+]C[C@H]3CCC[N@H+](CC4CC4)C3)ccc2n1 ZINC000634987505 430184507 /nfs/dbraw/zinc/18/45/07/430184507.db2.gz WQPIPVRDZVBVIA-QGZVFWFLSA-N 2 0 310.445 2.841 20 0 DFADRP [NH3+][C@@H]1CCCCC[C@H]1[NH2+]CCc1nc(-c2ccncc2)cs1 ZINC000581185266 430185818 /nfs/dbraw/zinc/18/58/18/430185818.db2.gz NQMNBUJZJRTGNI-HUUCEWRRSA-N 2 0 316.474 2.997 20 0 DFADRP C[N@@H+]1CCCN(CCC[NH2+][C@H]2CCc3cc(Cl)ccc32)CC1 ZINC000246965012 277051638 /nfs/dbraw/zinc/05/16/38/277051638.db2.gz JBIBMBBEMSGSJJ-SFHVURJKSA-N 2 0 321.896 2.945 20 0 DFADRP Nc1ccc(-c2cccc(C[NH2+][C@@H]3CCCC[C@H]3C[NH3+])n2)cc1 ZINC000634994954 430187256 /nfs/dbraw/zinc/18/72/56/430187256.db2.gz QXZPQBCLOPEQJB-MAUKXSAKSA-N 2 0 310.445 2.938 20 0 DFADRP CC(=O)Nc1ccc(C[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@H+]3C)cc1 ZINC000131803412 277075490 /nfs/dbraw/zinc/07/54/90/277075490.db2.gz IURBDNHQCJANIT-AYHJJNSGSA-N 2 0 301.434 2.750 20 0 DFADRP C[C@@H](CCCC[NH3+])[NH2+][C@@H](CO)c1cccc(C(F)(F)F)c1 ZINC000635004469 430194297 /nfs/dbraw/zinc/19/42/97/430194297.db2.gz OYDHMYMULNDQPO-FZMZJTMJSA-N 2 0 304.356 2.846 20 0 DFADRP Cn1nccc1[C@@H]1CCC[C@@H]([NH2+][C@@H]2CC[NH2+]CC(C)(C)C2)C1 ZINC000635007708 430194580 /nfs/dbraw/zinc/19/45/80/430194580.db2.gz BEDLOSOQFPQKFR-BZUAXINKSA-N 2 0 304.482 2.814 20 0 DFADRP CC(C)(C)[NH+]1CCC(NCC[C@H]([NH3+])Cc2ccccc2)CC1 ZINC000635005123 430194640 /nfs/dbraw/zinc/19/46/40/430194640.db2.gz HHYVOZMGIQAONW-KRWDZBQOSA-N 2 0 303.494 2.799 20 0 DFADRP [NH3+][C@@H]1CCC[C@@H]([NH2+][C@H](CO)c2cccc(C(F)(F)F)c2)C1 ZINC000634997530 430189301 /nfs/dbraw/zinc/18/93/01/430189301.db2.gz NLJNFFXTUUJMCC-MGPQQGTHSA-N 2 0 302.340 2.598 20 0 DFADRP [NH3+]CC1CCC([NH2+][C@H](CO)c2cccc(C(F)(F)F)c2)CC1 ZINC000634997960 430189588 /nfs/dbraw/zinc/18/95/88/430189588.db2.gz XFAJPIXSCXOQBR-WDIPEOLASA-N 2 0 316.367 2.846 20 0 DFADRP COc1ccc(-c2ccncc2)cc1C[N@@H+]1C[C@@H](C)[C@@H](C[NH3+])C1 ZINC000634999161 430189986 /nfs/dbraw/zinc/18/99/86/430189986.db2.gz QUKWPTMCBLZQCN-KDOFPFPSSA-N 2 0 311.429 2.784 20 0 DFADRP Brc1ccc2c(c1)C[C@@H]1[C@H]2[C@H]1[NH2+]CC1CC[NH2+]CC1 ZINC000635001269 430191126 /nfs/dbraw/zinc/19/11/26/430191126.db2.gz MKIXENIIFNKWPD-PMPSAXMXSA-N 2 0 321.262 2.676 20 0 DFADRP C[C@@H]1CCC[C@@H](C)N1C(=O)C[N@H+](C)CCCC[NH+]1CCCCC1 ZINC000640532627 430191597 /nfs/dbraw/zinc/19/15/97/430191597.db2.gz UNXNFMGMLJTVAF-QZTJIDSGSA-N 2 0 323.525 2.974 20 0 DFADRP C[C@]1(c2ccccc2)CC[C@@H]([NH+]2CCC([NH2+]CCO)CC2)C1 ZINC000635002478 430191546 /nfs/dbraw/zinc/19/15/46/430191546.db2.gz SAONTERJWWAISE-MOPGFXCFSA-N 2 0 302.462 2.543 20 0 DFADRP c1cc(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)c2c(c1)C[NH2+]CC2 ZINC000635003799 430191710 /nfs/dbraw/zinc/19/17/10/430191710.db2.gz LRZGFUXLBBLMJK-VAMGGRTRSA-N 3 0 313.489 2.733 20 0 DFADRP C[N@H+](CCCC[NH+]1CCCCC1)Cc1cc(=O)[nH]c(C2CC2)n1 ZINC000640534734 430193541 /nfs/dbraw/zinc/19/35/41/430193541.db2.gz UCGSTHHVVQYHCH-UHFFFAOYSA-N 2 0 318.465 2.758 20 0 DFADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)NCC[C@H]([NH3+])Cc1ccccc1 ZINC000635004503 430193819 /nfs/dbraw/zinc/19/38/19/430193819.db2.gz FFCVXDRXSFIGSB-NEWSRXKRSA-N 2 0 303.494 2.847 20 0 DFADRP Cc1noc(C2CCC([NH2+][C@@H]3CC[NH2+]CC(C)(C)C3)CC2)n1 ZINC000635007794 430194069 /nfs/dbraw/zinc/19/40/69/430194069.db2.gz BJCHYBBWBZAWKU-YMAMQOFZSA-N 2 0 306.454 2.772 20 0 DFADRP COc1ccc([C@@H](N[C@H]2CC[C@H](C[NH3+])CC2)[C@H]2CCC[NH2+]2)cc1 ZINC000635004425 430194112 /nfs/dbraw/zinc/19/41/12/430194112.db2.gz IPUIHNJGAAPNDW-YCEFEEMOSA-N 2 0 317.477 2.595 20 0 DFADRP CC[N@@H+]1CC[C@H](N(C)c2nc(C)nc3c2CCCC3)[C@@H](C)C1 ZINC000542020211 430200661 /nfs/dbraw/zinc/20/06/61/430200661.db2.gz UJWJUIHSWIMMQT-GUYCJALGSA-N 2 0 302.466 2.830 20 0 DFADRP CC(C)(C)OC(=O)CC[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000134909603 277176642 /nfs/dbraw/zinc/17/66/42/277176642.db2.gz KCYDMNDMBOWMHP-ZBFHGGJFSA-N 2 0 308.466 2.667 20 0 DFADRP C[C@@H](Cc1ccsc1)Nc1cc(N2CC[NH2+]CC2)cc[nH+]1 ZINC000635011291 430195147 /nfs/dbraw/zinc/19/51/47/430195147.db2.gz YUMVPGOOCKWZSM-ZDUSSCGKSA-N 2 0 302.447 2.596 20 0 DFADRP C[C@@H]([NH2+]Cc1cccc2c1CC[NH2+]C2)c1ccc2c(c1)OCCO2 ZINC000635010465 430195314 /nfs/dbraw/zinc/19/53/14/430195314.db2.gz LWEBGFRXSKNWHO-CQSZACIVSA-N 2 0 324.424 2.954 20 0 DFADRP Cc1ccc(CN2CC[C@H]([NH2+][C@H]3CC[NH2+]CC[C@@H]3C)C2)cc1 ZINC000635011650 430195332 /nfs/dbraw/zinc/19/53/32/430195332.db2.gz GCBZIFJJCQMJTK-WDSOQIARSA-N 2 0 301.478 2.547 20 0 DFADRP COc1ccc([C@H](C)Nc2cc(N3CC[NH2+]CC3)cc[nH+]2)cc1 ZINC000635010984 430195531 /nfs/dbraw/zinc/19/55/31/430195531.db2.gz XCWVSCMMQLPOCF-AWEZNQCLSA-N 2 0 312.417 2.673 20 0 DFADRP C[C@@H](CCc1ccco1)Nc1cc(N2CC[NH2+]CC2)cc[nH+]1 ZINC000635010976 430195730 /nfs/dbraw/zinc/19/57/30/430195730.db2.gz XCJWNTMNTOPUNB-AWEZNQCLSA-N 2 0 300.406 2.517 20 0 DFADRP c1cc2n(n1)CCC[C@H]2[NH2+][C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000635012506 430195835 /nfs/dbraw/zinc/19/58/35/430195835.db2.gz MULDYFMPUCLRFD-JTDSTZFVSA-N 2 0 324.428 2.564 20 0 DFADRP C[C@H]([NH2+][C@H]1CC[NH2+]CC(C)(C)C1)c1ccc(S(C)(=O)=O)cc1 ZINC000635010032 430196408 /nfs/dbraw/zinc/19/64/08/430196408.db2.gz IUSSLOZRWPSDRP-ZFWWWQNUSA-N 2 0 324.490 2.519 20 0 DFADRP C[C@@H]1CCCC[N@@H+]1CCCC[NH2+]CCC(=O)Nc1cccnc1 ZINC000581305359 430197634 /nfs/dbraw/zinc/19/76/34/430197634.db2.gz FESMXAUWJPELST-MRXNPFEDSA-N 2 0 318.465 2.654 20 0 DFADRP FCCC[C@@H]1CCC[C@H]1Nc1cc(N2CC[NH2+]CC2)cc[nH+]1 ZINC000635012861 430199002 /nfs/dbraw/zinc/19/90/02/430199002.db2.gz WIEMKXPBRRAVHB-GOEBONIOSA-N 2 0 306.429 2.822 20 0 DFADRP Cc1nn(-c2cc[nH+]cc2)cc1CN(C)Cc1cccc(O)c1 ZINC000542466398 430211954 /nfs/dbraw/zinc/21/19/54/430211954.db2.gz IJQCCNJWEDOTHK-UHFFFAOYSA-N 2 0 308.385 2.913 20 0 DFADRP [NH3+][C@@H]1CCC[C@H]([NH2+]CCc2ccccc2OC(F)(F)F)C1 ZINC000581439704 430209274 /nfs/dbraw/zinc/20/92/74/430209274.db2.gz FLDDFJDGXUSCHN-OLZOCXBDSA-N 2 0 302.340 2.987 20 0 DFADRP COc1cc(C)c(C[N@@H+]2CCC[C@H]3C[NH+](C)CC[C@@H]32)cc1OC ZINC000581575143 430221154 /nfs/dbraw/zinc/22/11/54/430221154.db2.gz DFAFNMGMKLNLBC-RDJZCZTQSA-N 2 0 318.461 2.928 20 0 DFADRP CCCC[N@H+](C)C[C@H](C)NC(=O)C1(C[NH+](C)C)CCCCC1 ZINC000565747672 430224138 /nfs/dbraw/zinc/22/41/38/430224138.db2.gz OVSVPLYTRXKBRT-INIZCTEOSA-N 2 0 311.514 2.735 20 0 DFADRP CC[NH2+][C@H](C)C(=O)Nc1ccc(C[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000638061988 430224526 /nfs/dbraw/zinc/22/45/26/430224526.db2.gz BUKNDYVJTWSQRV-LSDHHAIUSA-N 2 0 303.450 2.998 20 0 DFADRP C[C@@H]([NH2+]CCC(=O)Nc1cc(F)cc(F)c1)C1=CC[N@H+](C)CC1 ZINC000581603650 430224674 /nfs/dbraw/zinc/22/46/74/430224674.db2.gz LENNIKWKHPRJIG-GFCCVEGCSA-N 2 0 323.387 2.533 20 0 DFADRP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)CC[C@H]([NH3+])c1ccccc1 ZINC000566163409 430245466 /nfs/dbraw/zinc/24/54/66/430245466.db2.gz ZCLPXGYOKQBCDC-RYRKJORJSA-N 2 0 317.477 2.703 20 0 DFADRP C[C@H](C(=O)NCc1ccc(C[N@@H+]2CCCC[C@H]2C)cc1)[NH+](C)C ZINC000635303910 430249176 /nfs/dbraw/zinc/24/91/76/430249176.db2.gz PIWXWJYUDUWNEW-HZPDHXFCSA-N 2 0 317.477 2.627 20 0 DFADRP CC1CC[NH+](CCCCNC(=O)[C@H]2CC[N@@H+]2C2CCCC2)CC1 ZINC000635347361 430256932 /nfs/dbraw/zinc/25/69/32/430256932.db2.gz YQNMYVKVAIZYII-GOSISDBHSA-N 2 0 321.509 2.632 20 0 DFADRP CC(C)[NH+]1CCN([C@@H]2CC[N@@H+]([C@@H](C)Cc3ccsc3)C2)CC1 ZINC000544023978 430269760 /nfs/dbraw/zinc/26/97/60/430269760.db2.gz QBVLYEGWSGDOIN-FUHWJXTLSA-N 2 0 321.534 2.779 20 0 DFADRP C[C@@H](c1ccccc1)N1CCN(C(=O)C[N@H+](C)C(C)(C)C)CC1 ZINC000582179650 430276470 /nfs/dbraw/zinc/27/64/70/430276470.db2.gz PNPSFACFAHQCTR-INIZCTEOSA-N 2 0 317.477 2.622 20 0 DFADRP c1ccc2c(c1)[nH+]ccc2N1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000567179511 430279687 /nfs/dbraw/zinc/27/96/87/430279687.db2.gz ILFHPHNPHYFQPW-INIZCTEOSA-N 2 0 311.429 2.926 20 0 DFADRP C[C@H]1C[N@H+](C)CC[C@@H]1N(C)Cc1cnc(-c2ccccn2)s1 ZINC000582268868 430282911 /nfs/dbraw/zinc/28/29/11/430282911.db2.gz GXCNTZVIHADVNJ-BBRMVZONSA-N 2 0 316.474 2.977 20 0 DFADRP CC(C)CC[C@H]([NH3+])C(=O)NCCCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000638068691 430225933 /nfs/dbraw/zinc/22/59/33/430225933.db2.gz WTXDLLKQQVDAHA-ULQDDVLXSA-N 2 0 311.514 2.624 20 0 DFADRP CC[NH2+][C@@H](C)C(=O)NC[C@@H](c1ccccc1)[NH+]1CCC(C)CC1 ZINC000638076744 430228440 /nfs/dbraw/zinc/22/84/40/430228440.db2.gz MYQYVUZGZSKKND-WMZOPIPTSA-N 2 0 317.477 2.574 20 0 DFADRP CC(C)CC[C@H]([NH3+])C(=O)N[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000638083894 430230199 /nfs/dbraw/zinc/23/01/99/430230199.db2.gz OWMQUSLYEAEOGA-JQHSSLGASA-N 2 0 317.477 2.702 20 0 DFADRP CC[NH+](CC)Cc1cccc(NC(=O)C[C@H]2CC[N@H+](C)C2)c1 ZINC000635253101 430240197 /nfs/dbraw/zinc/24/01/97/430240197.db2.gz FUCVZSZNWTYVLI-MRXNPFEDSA-N 2 0 303.450 2.809 20 0 DFADRP CC(C)OC[C@H](O)C[NH2+]Cc1ccccc1C[NH+]1CCCCC1 ZINC000566109430 430240431 /nfs/dbraw/zinc/24/04/31/430240431.db2.gz QFUQEDILDZJRQI-LJQANCHMSA-N 2 0 320.477 2.548 20 0 DFADRP C[C@H](CC(=O)Nc1cccc(F)c1)[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000566092187 430241400 /nfs/dbraw/zinc/24/14/00/430241400.db2.gz OUMCIPWKOAGVAI-UMPJEAMMSA-N 2 0 319.424 2.521 20 0 DFADRP C[C@H]1C[C@H]([NH3+])CCN1Cc1cnn(-c2ccc(Cl)cc2)c1 ZINC000582308869 430289403 /nfs/dbraw/zinc/28/94/03/430289403.db2.gz AQCXHUUDBPZQPO-SWLSCSKDSA-N 2 0 304.825 2.837 20 0 DFADRP C[C@H](CCc1ccccc1)[NH2+]C1CC[NH+](CC(C)(C)O)CC1 ZINC000638300435 430297787 /nfs/dbraw/zinc/29/77/87/430297787.db2.gz ITSVQUBMYCHKRD-MRXNPFEDSA-N 2 0 304.478 2.833 20 0 DFADRP CC[NH+](CC)Cc1ccc(C[NH2+]C[C@@H](OC)[C@@H]2CCOC2)cc1 ZINC000638306280 430298410 /nfs/dbraw/zinc/29/84/10/430298410.db2.gz BLTTZLXRMLWKPO-RTBURBONSA-N 2 0 320.477 2.670 20 0 DFADRP CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)[C@@H]2CCCCC[NH2+]2)C1 ZINC000567985719 430302359 /nfs/dbraw/zinc/30/23/59/430302359.db2.gz NZAGQLHWUKOTGC-HOTGVXAUSA-N 2 0 309.498 2.535 20 0 DFADRP COc1ccccc1OCC[NH2+][C@H](C)C[C@H]1CCCCC[NH2+]1 ZINC000582480686 430303278 /nfs/dbraw/zinc/30/32/78/430303278.db2.gz NVCLNGLBZXVOJC-HZPDHXFCSA-N 2 0 306.450 2.974 20 0 DFADRP Cc1ccc(NC(=O)C[N@H+](C)CC(C)(C)C)c(C[NH+](C)C)c1 ZINC000635565966 430307858 /nfs/dbraw/zinc/30/78/58/430307858.db2.gz HUBDLCCRTPUDLD-UHFFFAOYSA-N 2 0 305.466 2.973 20 0 DFADRP Cc1ccc([C@H](CN[C@@H]2CCC[C@H]([NH3+])C2)[NH+]2CCCC2)cc1 ZINC000568107503 430318106 /nfs/dbraw/zinc/31/81/06/430318106.db2.gz OXSJNEKHJYCUQE-OTWHNJEPSA-N 2 0 301.478 2.991 20 0 DFADRP CC(C)(C)O[C@@H]1C[C@@H]([NH2+]CCCC[NH+]2CCOCC2)C12CCC2 ZINC000638369502 430318485 /nfs/dbraw/zinc/31/84/85/430318485.db2.gz BZGSQHCZOPPGBE-IAGOWNOFSA-N 2 0 324.509 2.815 20 0 DFADRP CO[C@@H](C[NH2+]CCCC[N@@H+]1CCC[C@H](C)C1)C1CCOCC1 ZINC000638366568 430319444 /nfs/dbraw/zinc/31/94/44/430319444.db2.gz OJUYVPIGCWOOIC-WMZOPIPTSA-N 2 0 312.498 2.530 20 0 DFADRP Cc1ccc([C@H](CN[C@H]2CCC[C@@H]([NH3+])C2)[NH+]2CCCC2)cc1 ZINC000568107505 430319462 /nfs/dbraw/zinc/31/94/62/430319462.db2.gz OXSJNEKHJYCUQE-QYZOEREBSA-N 2 0 301.478 2.991 20 0 DFADRP CC[N@@H+]1CC[C@H](N(C)C(=O)[C@H](CC(C)C)n2ccnc2)[C@@H](C)C1 ZINC000635603098 430319847 /nfs/dbraw/zinc/31/98/47/430319847.db2.gz LXOZJCIIOYURCL-ULQDDVLXSA-N 2 0 320.481 2.659 20 0 DFADRP C[C@@H](C[C@H]1CCCC(=O)N1)[NH2+]CCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000638369945 430320264 /nfs/dbraw/zinc/32/02/64/430320264.db2.gz JPCMSJXACAKLMM-XWTMOSNGSA-N 2 0 323.525 2.781 20 0 DFADRP CC[N@H+](C)C[C@H](O)CN[C@H](c1ccccc1)c1ccc(F)cc1 ZINC000568164484 430322659 /nfs/dbraw/zinc/32/26/59/430322659.db2.gz RCTOWSDTNKUVFD-RTBURBONSA-N 2 0 316.420 2.817 20 0 DFADRP C[NH+](C)CCOc1ccc(C[NH2+]Cc2cccc(F)c2N)cc1 ZINC000638379415 430324310 /nfs/dbraw/zinc/32/43/10/430324310.db2.gz BISBJSYTXUANTJ-UHFFFAOYSA-N 2 0 317.408 2.638 20 0 DFADRP Cn1cc(CC[NH2+][C@@H]2CCN(C3CC3)[C@H](c3ccccc3)C2)cn1 ZINC000638398440 430330913 /nfs/dbraw/zinc/33/09/13/430330913.db2.gz ZIYQZHNUHRGMSQ-QUCCMNQESA-N 2 0 324.472 2.920 20 0 DFADRP CC[C@@H](COCC(F)(F)F)[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000582766016 430332264 /nfs/dbraw/zinc/33/22/64/430332264.db2.gz SQHFNOJXHXXEII-ZDUSSCGKSA-N 2 0 308.388 2.808 20 0 DFADRP CC(C)[N@@H+]1CCCC[C@H]1Cn1cc(C[NH2+]C2CCCC2)nn1 ZINC000641168383 430351304 /nfs/dbraw/zinc/35/13/04/430351304.db2.gz DDXSJFRCIRXVKJ-KRWDZBQOSA-N 2 0 305.470 2.573 20 0 DFADRP C[C@H]1CN(Cc2cccc(C[NH2+]CCC[C@H]3CCO3)c2)CCO1 ZINC000638421480 430337751 /nfs/dbraw/zinc/33/77/51/430337751.db2.gz WNFBZIZMHVSTNI-LPHOPBHVSA-N 2 0 318.461 2.566 20 0 DFADRP CO[C@](C)(C[NH2+]Cc1ccccc1OCC[NH+](C)C)C1CC1 ZINC000638444946 430344800 /nfs/dbraw/zinc/34/48/00/430344800.db2.gz KUMSNSBFQAQOSE-GOSISDBHSA-N 2 0 306.450 2.532 20 0 DFADRP C[NH+](C)CCCC[NH2+]Cc1nnn(-c2ccccc2)c1C1CC1 ZINC000638450518 430346493 /nfs/dbraw/zinc/34/64/93/430346493.db2.gz FKCDIFXPJPHRIG-UHFFFAOYSA-N 2 0 313.449 2.576 20 0 DFADRP [NH3+]C1C[C@H]2CCC[C@@H](C1)C2[NH2+]Cc1cncc(Br)c1 ZINC000583612200 430412220 /nfs/dbraw/zinc/41/22/20/430412220.db2.gz UFBUITFJWHOWKH-AVJIGQEQSA-N 2 0 324.266 2.840 20 0 DFADRP CC(C)O[C@@H]1CC[NH+](CCCC[N@H+]2CC[C@@H](OC(C)C)C2)C1 ZINC000583628432 430413636 /nfs/dbraw/zinc/41/36/36/430413636.db2.gz BYUGWOUKTPCCHA-QZTJIDSGSA-N 2 0 312.498 2.765 20 0 DFADRP CO[C@H](C[NH2+]C1CC[NH+](C2CCCCC2)CC1)C1CCOCC1 ZINC000638721790 430416180 /nfs/dbraw/zinc/41/61/80/430416180.db2.gz RXRSKKBTTXIGQC-LJQANCHMSA-N 2 0 324.509 2.815 20 0 DFADRP C[NH+](C)[C@H]1CCC[C@@H](NC(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC000547731741 430416626 /nfs/dbraw/zinc/41/66/26/430416626.db2.gz DIJLAQABUSCHSW-WBVHZDCISA-N 2 0 309.498 2.630 20 0 DFADRP CC1(C)CCCN(CC[NH2+]C2CCC(O)(C(F)(F)F)CC2)C1 ZINC000583064264 430358887 /nfs/dbraw/zinc/35/88/87/430358887.db2.gz NKUPSDWHQPAAPG-UHFFFAOYSA-N 2 0 322.415 2.934 20 0 DFADRP CC(C)Oc1ccnc(Cn2cc([C@H]([NH3+])c3ccccc3)nn2)c1 ZINC000641205500 430360212 /nfs/dbraw/zinc/36/02/12/430360212.db2.gz XNFXYTGOQKOHAZ-GOSISDBHSA-N 2 0 323.400 2.557 20 0 DFADRP CN(CCC[NH+]1CCCC1)C(=O)CC[N@H+](C)C1CCCCC1 ZINC000546693164 430364808 /nfs/dbraw/zinc/36/48/08/430364808.db2.gz NJNUMBNFJQCOSY-UHFFFAOYSA-N 2 0 309.498 2.585 20 0 DFADRP CC[C@](C)(C[NH2+]C[C@H]1CC[N@H+](CCc2ccccc2)C1)OC ZINC000638521996 430366236 /nfs/dbraw/zinc/36/62/36/430366236.db2.gz TXZRSUVRBHRUSQ-RTBURBONSA-N 2 0 304.478 2.956 20 0 DFADRP CC[C@@](C)(C[NH2+]C[C@H]1CC[N@H+](CCc2ccccc2)C1)OC ZINC000638521993 430367390 /nfs/dbraw/zinc/36/73/90/430367390.db2.gz TXZRSUVRBHRUSQ-MOPGFXCFSA-N 2 0 304.478 2.956 20 0 DFADRP C[C@@H]1C[C@@H]([NH2+]CCc2ccc(OCC[NH+](C)C)cc2)CS1 ZINC000638539285 430372347 /nfs/dbraw/zinc/37/23/47/430372347.db2.gz MLLQYGJJNPPRDR-GDBMZVCRSA-N 2 0 308.491 2.653 20 0 DFADRP CC[C@](C)(C[NH2+]Cc1ccccc1C[NH+]1CCC(O)CC1)OC ZINC000638720020 430417479 /nfs/dbraw/zinc/41/74/79/430417479.db2.gz PXXCLWVPXIHGLK-LJQANCHMSA-N 2 0 320.477 2.548 20 0 DFADRP CC(C)(O)C[NH+]1CCC([NH2+]CC(C)(C)c2cccc(F)c2)CC1 ZINC000638608675 430387993 /nfs/dbraw/zinc/38/79/93/430387993.db2.gz DIQFLWGTLWYNHC-UHFFFAOYSA-N 2 0 322.468 2.928 20 0 DFADRP COc1cc2c(cc1C[NH2+]Cc1ccc3c[nH+]cn3c1)O[C@@H](C)C2 ZINC000583367290 430388711 /nfs/dbraw/zinc/38/87/11/430388711.db2.gz HHQFVOJEDWURDR-ZDUSSCGKSA-N 2 0 323.396 2.956 20 0 DFADRP C[NH+](C)CCc1ccccc1NC(=O)C[N@H+](C)CC(C)(C)C ZINC000635836840 430389234 /nfs/dbraw/zinc/38/92/34/430389234.db2.gz YTAOLZDNLZEIAX-UHFFFAOYSA-N 2 0 305.466 2.707 20 0 DFADRP C[NH+](C)CCc1ccccc1NC(=O)[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000635834449 430389571 /nfs/dbraw/zinc/38/95/71/430389571.db2.gz FGCGISWFTUQBRG-SFHVURJKSA-N 2 0 315.461 2.746 20 0 DFADRP [NH3+][C@H]1CCC[C@@H]([NH2+]CCc2nc(-c3ccc(Cl)cc3)no2)C1 ZINC000568768006 430392008 /nfs/dbraw/zinc/39/20/08/430392008.db2.gz CXKWVYNWUGMMBG-UONOGXRCSA-N 2 0 320.824 2.792 20 0 DFADRP [NH3+][C@@H]1CCC[C@@H]([NH2+]CCc2nc(-c3ccc(Cl)cc3)no2)C1 ZINC000568768007 430392216 /nfs/dbraw/zinc/39/22/16/430392216.db2.gz CXKWVYNWUGMMBG-ZIAGYGMSSA-N 2 0 320.824 2.792 20 0 DFADRP Cc1ccccc1[C@@H]([C@H](C)NC(=O)[C@@H]1CCCC[N@@H+]1C)[NH+](C)C ZINC000635851139 430392927 /nfs/dbraw/zinc/39/29/27/430392927.db2.gz RDTZYOUKQVMHLQ-RYQLBKOJSA-N 2 0 317.477 2.587 20 0 DFADRP C[C@@H]([NH2+]CCC(=O)Nc1ccc(Cl)cc1)C1=CC[N@H+](C)CC1 ZINC000583436529 430395659 /nfs/dbraw/zinc/39/56/59/430395659.db2.gz LSHZVIDROVKLDF-CYBMUJFWSA-N 2 0 321.852 2.909 20 0 DFADRP OC1CC(CC[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC000568835528 430396050 /nfs/dbraw/zinc/39/60/50/430396050.db2.gz ZGMLOGXZYGCEEC-JHNJKDCUSA-N 2 0 314.473 2.933 20 0 DFADRP CCN(C[C@@H]1CCC[N@@H+]1CC)C(=O)CC[C@@H]1CCCC[NH+]1C ZINC000583518661 430402521 /nfs/dbraw/zinc/40/25/21/430402521.db2.gz GWNGPXVTFYZMPM-IRXDYDNUSA-N 2 0 309.498 2.584 20 0 DFADRP OCc1ccnc(N2CCC(CCC[NH+]3CCCC3)CC2)c1 ZINC000641456973 430405130 /nfs/dbraw/zinc/40/51/30/430405130.db2.gz SSOUZZWTHSSQFB-UHFFFAOYSA-N 2 0 303.450 2.666 20 0 DFADRP CN(CCCC[NH+]1CCCCC1)C(=O)c1ccc2c[nH+]cn2c1 ZINC000641663356 430437631 /nfs/dbraw/zinc/43/76/31/430437631.db2.gz XFUHBNYTGJAALM-UHFFFAOYSA-N 2 0 314.433 2.672 20 0 DFADRP C[C@H]1CCCC[N@@H+]1CCC1CCN(C(=O)[C@@]2(C)CCC[NH2+]2)CC1 ZINC000583937178 430442919 /nfs/dbraw/zinc/44/29/19/430442919.db2.gz CENJTQFNFHLCCM-QFBILLFUSA-N 2 0 321.509 2.632 20 0 DFADRP CC[NH+](CC)C[C@H]1CCN(C(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC000548061007 430443309 /nfs/dbraw/zinc/44/33/09/430443309.db2.gz GKFDXPUDULYWKO-QGZVFWFLSA-N 2 0 323.525 2.831 20 0 DFADRP C[N@H+](CCC(=O)NC[C@H]1CCCC[NH+]1C1CC1)C1CCCCC1 ZINC000548065380 430444667 /nfs/dbraw/zinc/44/46/67/430444667.db2.gz HTDXLSHRILLFNX-GOSISDBHSA-N 2 0 321.509 2.774 20 0 DFADRP CCc1ccccc1[C@@H]([NH3+])CNC(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC000569360885 430448458 /nfs/dbraw/zinc/44/84/58/430448458.db2.gz YROWNSLJVVMWJN-ROUUACIJSA-N 2 0 317.477 2.628 20 0 DFADRP C[N@@H+]1CCC[C@H](CNCc2ccncc2N)[C@@H]1c1cccs1 ZINC000641728839 430453148 /nfs/dbraw/zinc/45/31/48/430453148.db2.gz ILARLURPKHGJGL-RHSMWYFYSA-N 2 0 316.474 2.898 20 0 DFADRP C[NH+](C)CC[C@@H]([NH2+]Cc1ccc2[nH]c(=O)[nH]c2c1)C(C)(C)C ZINC000641728401 430454229 /nfs/dbraw/zinc/45/42/29/430454229.db2.gz RTOBHZKECKSQOS-OAHLLOKOSA-N 2 0 304.438 2.725 20 0 DFADRP c1cc(CCC[NH+]2CCC([C@H]3CC[NH2+]C3)CC2)cc2c1OCC2 ZINC000584053661 430454671 /nfs/dbraw/zinc/45/46/71/430454671.db2.gz TZBHQAZQDYBIEF-IBGZPJMESA-N 2 0 314.473 2.876 20 0 DFADRP CC(C)([NH3+])CC(=O)N[C@@H]1CCCCC[N@H+](Cc2ccccc2)C1 ZINC000638852040 430455307 /nfs/dbraw/zinc/45/53/07/430455307.db2.gz UQFMFBAASNVAHL-QGZVFWFLSA-N 2 0 317.477 2.675 20 0 DFADRP CC[NH+](CC)Cc1ccc(C(=O)N[C@H]2C[C@@H]([NH+](C)C)C2(C)C)o1 ZINC000636086772 430457941 /nfs/dbraw/zinc/45/79/41/430457941.db2.gz AOEGIAZZAXVQGY-JKSUJKDBSA-N 2 0 321.465 2.580 20 0 DFADRP CC1([NH+]2CCCC2)CCN(C(=O)[C@@H]2CCCCCC[C@H]2[NH3+])CC1 ZINC000638859159 430457974 /nfs/dbraw/zinc/45/79/74/430457974.db2.gz JPSLXEMTXQWQNJ-IAGOWNOFSA-N 2 0 321.509 2.761 20 0 DFADRP C[C@H]([NH2+]Cc1ccncc1N)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000641746108 430458731 /nfs/dbraw/zinc/45/87/31/430458731.db2.gz MZJSTTXKKJQSFQ-MAUKXSAKSA-N 2 0 310.445 2.664 20 0 DFADRP CCC1([NH+]2CCCC2)CCN(C(=O)[C@@H]2CCCC[C@@]2(C)[NH3+])CC1 ZINC000638862374 430459089 /nfs/dbraw/zinc/45/90/89/430459089.db2.gz UIKMYVHLXBSRRN-FUHWJXTLSA-N 2 0 321.509 2.761 20 0 DFADRP CC[NH+](CC)CCC[C@@H](C)[NH2+]Cc1cccn(C(F)F)c1=O ZINC000638863118 430459796 /nfs/dbraw/zinc/45/97/96/430459796.db2.gz KBDDJTXOKNTROY-CYBMUJFWSA-N 2 0 315.408 2.844 20 0 DFADRP CC(C)C1(C[NH2+]Cc2ccc(C(=O)NCC[NH+](C)C)cc2)CC1 ZINC000638873247 430463983 /nfs/dbraw/zinc/46/39/83/430463983.db2.gz ONAFCACUOSHHSK-UHFFFAOYSA-N 2 0 317.477 2.504 20 0 DFADRP C[NH+](C)CCOc1cc(C[NH2+]C[C@@H]2CC[C@H]3C[C@H]3C2)ccn1 ZINC000638903813 430470666 /nfs/dbraw/zinc/47/06/66/430470666.db2.gz UVELQVDKOQPPFD-HYVNUMGLSA-N 2 0 303.450 2.548 20 0 DFADRP [NH3+]C[C@H]1CC[C@H](NC(=O)CC[C@H]([NH3+])CC2CCCCC2)CC1 ZINC000638950998 430481879 /nfs/dbraw/zinc/48/18/79/430481879.db2.gz WEILXBZSCGZJHA-ULQDDVLXSA-N 2 0 309.498 2.698 20 0 DFADRP CC1(C)[C@H]([NH3+])C[C@@H]1[NH2+]CCOc1ccc(C(F)(F)F)cc1 ZINC000641803956 430477808 /nfs/dbraw/zinc/47/78/08/430477808.db2.gz WJFORBKOVBGRRO-OLZOCXBDSA-N 2 0 302.340 2.800 20 0 DFADRP CC1(C)[C@H]([NH3+])C[C@H]1[NH2+]CCOc1ccc(C(F)(F)F)cc1 ZINC000641803954 430478853 /nfs/dbraw/zinc/47/88/53/430478853.db2.gz WJFORBKOVBGRRO-CHWSQXEVSA-N 2 0 302.340 2.800 20 0 DFADRP C[C@@H]1CC[C@@H](C[NH3+])N(CCC(=O)Nc2ccccc2F)[C@H]1C ZINC000641809277 430479743 /nfs/dbraw/zinc/47/97/43/430479743.db2.gz QHMXCLKYZFZGAT-RDBSUJKOSA-N 2 0 307.413 2.602 20 0 DFADRP CO[C@]1(C)CCC[NH+](CCCC[N@H+]2CCC[C@@](C)(OC)C2)C1 ZINC000547770797 430419561 /nfs/dbraw/zinc/41/95/61/430419561.db2.gz HOSKMALGAQZFMB-QZTJIDSGSA-N 2 0 312.498 2.768 20 0 DFADRP CC(C)[NH+]1CCC(O)(C[NH2+]CC(C)(C)Oc2ccccc2)CC1 ZINC000638736988 430420794 /nfs/dbraw/zinc/42/07/94/430420794.db2.gz BSJYUOSBHHUYIE-UHFFFAOYSA-N 2 0 320.477 2.669 20 0 DFADRP CCC[C@H](C[NH+]1CCC(CCC[NH+]2CCOCC2)CC1)OC ZINC000638957575 430482539 /nfs/dbraw/zinc/48/25/39/430482539.db2.gz KDJFLNZWLNQIEY-GOSISDBHSA-N 2 0 312.498 2.626 20 0 DFADRP Cc1cc(C[NH+]2CCC(CCC[NH+]3CCOCC3)CC2)sn1 ZINC000638961392 430482905 /nfs/dbraw/zinc/48/29/05/430482905.db2.gz UGOFMUBPGVIMQH-UHFFFAOYSA-N 2 0 323.506 2.776 20 0 DFADRP CC[C@@H]1CC[C@@H]1[NH2+][C@H](CN1CC[NH+](C)CC1)c1ccccc1 ZINC000569756988 430483138 /nfs/dbraw/zinc/48/31/38/430483138.db2.gz HBVWSZUWTTZWLH-NZSAHSFTSA-N 2 0 301.478 2.753 20 0 DFADRP CCC[C@@H](C[NH2+]Cc1ccccc1C[N@@H+]1CCC[C@@H]1CO)OC ZINC000638970288 430483785 /nfs/dbraw/zinc/48/37/85/430483785.db2.gz KVOYMNHWOVITRK-MOPGFXCFSA-N 2 0 320.477 2.548 20 0 DFADRP C[C@H]([NH2+][C@@H](C)C(C)(C)n1cncn1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000638969774 430483909 /nfs/dbraw/zinc/48/39/09/430483909.db2.gz IOQLTGDTESUQMR-HRCADAONSA-N 2 0 319.497 2.644 20 0 DFADRP C[C@H]([NH2+]Cc1c[nH]c2ncncc12)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000638970670 430484093 /nfs/dbraw/zinc/48/40/93/430484093.db2.gz MVRSTXKNVQPFLV-KBPBESRZSA-N 2 0 313.449 2.652 20 0 DFADRP COc1cc(C[N@@H+]2CCC[C@@H]2Cn2ccnc2)c(Cl)cc1O ZINC000639042737 430500456 /nfs/dbraw/zinc/50/04/56/430500456.db2.gz JFPCITCZNKXPHR-CYBMUJFWSA-N 2 0 321.808 2.915 20 0 DFADRP Cc1cc(C[NH2+]C2CC[NH+](CC(C)(C)O)CC2)ccc1Cl ZINC000639045041 430500890 /nfs/dbraw/zinc/50/08/90/430500890.db2.gz FOLUTIXOKJXCKI-UHFFFAOYSA-N 2 0 310.869 2.973 20 0 DFADRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+][C@@H](C)[C@H]1CC2CCC1CC2 ZINC000639057495 430505635 /nfs/dbraw/zinc/50/56/35/430505635.db2.gz RCGXZARANMZNTR-MAQDGTSESA-N 2 0 307.526 2.817 20 0 DFADRP CC[C@@H](C(=O)N1CC[C@@H](C[NH3+])c2ccccc21)[NH+](CC)CC ZINC000639068620 430510377 /nfs/dbraw/zinc/51/03/77/430510377.db2.gz YDZCXQATDLJTSZ-HOCLYGCPSA-N 2 0 303.450 2.586 20 0 DFADRP CC[NH+](CC)Cc1ccc(C(=O)NCC[NH+]2CCCCCC2)o1 ZINC000642354624 430513200 /nfs/dbraw/zinc/51/32/00/430513200.db2.gz BAINULZHKAGOIY-UHFFFAOYSA-N 2 0 321.465 2.727 20 0 DFADRP COc1ccccc1OCCN[C@@H](Cc1ccccc1)[C@H](C)[NH3+] ZINC000570271726 430527837 /nfs/dbraw/zinc/52/78/37/430527837.db2.gz WLSMRJWBXQPIGL-RDJZCZTQSA-N 2 0 314.429 2.622 20 0 DFADRP C[C@@H](C[NH2+][C@@H](C)[C@@H]1C[C@H]1c1ccccc1)CN1CC[NH+](C)CC1 ZINC000549611995 430528846 /nfs/dbraw/zinc/52/88/46/430528846.db2.gz SCRLBOJZNFQLKF-ZULIPRJHSA-N 2 0 315.505 2.652 20 0 DFADRP C[C@H](C[C@@H]1CCCC(=O)N1)[NH2+]C[C@@H]1CCC[N@@H+]1C1CCCCC1 ZINC000639133002 430537914 /nfs/dbraw/zinc/53/79/14/430537914.db2.gz FZXYALXXNRKXGI-RYRKJORJSA-N 2 0 321.509 2.820 20 0 DFADRP C[C@H]1C[C@@H](c2nc(C3C[C@H]4CC[C@@H](C3)[NH+]4C)no2)CC[N@@H+]1C ZINC000643108174 430550218 /nfs/dbraw/zinc/55/02/18/430550218.db2.gz MFCDDIQUZJQSRS-UUQIVFDPSA-N 2 0 304.438 2.608 20 0 DFADRP C[C@@H](C[NH+](C)C)N[C@@H]1CC[N@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000639168829 430551601 /nfs/dbraw/zinc/55/16/01/430551601.db2.gz VLJJYXQOZDTTSI-WDYCEAGBSA-N 2 0 301.478 2.894 20 0 DFADRP COc1cncc(CN(C)CCC[N@H+](C)Cc2ccco2)c1C ZINC000639165958 430551930 /nfs/dbraw/zinc/55/19/30/430551930.db2.gz CGNZOLZOGJEBEM-UHFFFAOYSA-N 2 0 317.433 2.946 20 0 DFADRP C[NH+](C)CCSCc1cncc(CSCC[NH+](C)C)c1 ZINC000570593645 430558875 /nfs/dbraw/zinc/55/88/75/430558875.db2.gz MAQLPZJCKKTQNP-UHFFFAOYSA-N 2 0 313.536 2.671 20 0 DFADRP Cc1nc2ccccc2nc1C[NH+]1CCC[C@H]2C[N@H+](C)CC[C@@H]21 ZINC000639180768 430558923 /nfs/dbraw/zinc/55/89/23/430558923.db2.gz YCMOCNWSYNBDDQ-KXBFYZLASA-N 2 0 310.445 2.854 20 0 DFADRP C[C@@H]([NH2+]Cc1ccncc1OCCC[NH+](C)C)[C@H]1CC1(F)F ZINC000639185147 430561628 /nfs/dbraw/zinc/56/16/28/430561628.db2.gz HGQIBVFLONKPQS-TZMCWYRMSA-N 2 0 313.392 2.545 20 0 DFADRP c1ccc([C@H](C[NH+]2CCCCC2)N[C@H]2CCC[NH2+]CC2)cc1 ZINC000643451860 430601200 /nfs/dbraw/zinc/60/12/00/430601200.db2.gz MKNGJDCRZMBSKM-OALUTQOASA-N 2 0 301.478 2.945 20 0 DFADRP C[NH+]1CCC(N2CC[C@H]([NH2+]C3CC4(C3)CCCCC4)C2)CC1 ZINC000643289067 430575224 /nfs/dbraw/zinc/57/52/24/430575224.db2.gz UHAYHQONBARYHC-INIZCTEOSA-N 2 0 305.510 2.857 20 0 DFADRP CC(C)[C@H]([NH2+]CC1CC[NH2+]CC1)c1ccc2[nH]c(=O)oc2c1 ZINC000570792510 430575600 /nfs/dbraw/zinc/57/56/00/430575600.db2.gz CQIQYTYSOQNBAI-INIZCTEOSA-N 2 0 303.406 2.820 20 0 DFADRP CN(C[C@@H](O)C[NH2+][C@H]1CCC(C)(C)c2ccccc21)C1CC1 ZINC000570794236 430576634 /nfs/dbraw/zinc/57/66/34/430576634.db2.gz CUDHMLUGHCOQSX-YJBOKZPZSA-N 2 0 302.462 2.844 20 0 DFADRP COc1ccc(C[C@H](C)[NH2+]C[C@H]2CCC[N@H+](C)C2)c(C)c1OC ZINC000552044963 430580676 /nfs/dbraw/zinc/58/06/76/430580676.db2.gz TTWVFGNAPLNTMT-GOEBONIOSA-N 2 0 320.477 2.875 20 0 DFADRP C[C@H](C[C@H](C)[NH3+])[NH2+][C@H]1CCN(c2ccc(C(F)(F)F)cc2)C1 ZINC000643455370 430601851 /nfs/dbraw/zinc/60/18/51/430601851.db2.gz AJGCDVSPDWZHBZ-SCRDCRAPSA-N 2 0 315.383 3.000 20 0 DFADRP CC[NH+](CC)[C@@H](C(=O)N[C@H](C)c1ncc[nH]1)c1ccccc1 ZINC000552227836 430591722 /nfs/dbraw/zinc/59/17/22/430591722.db2.gz UYOFJBIBEPVGSR-UKRRQHHQSA-N 2 0 300.406 2.670 20 0 DFADRP C=C/C(C)=C/CC(=O)N1CCCN(C2CC[NH+](CC)CC2)CC1 ZINC000643362405 430592704 /nfs/dbraw/zinc/59/27/04/430592704.db2.gz OPQLVUNSOVNUOD-REZTVBANSA-N 2 0 319.493 2.527 20 0 DFADRP CC(C)[N@@H+]1CC[C@@H](C[NH2+]Cc2ccccc2-c2ccnn2C)C1 ZINC000552244101 430592827 /nfs/dbraw/zinc/59/28/27/430592827.db2.gz VFKMEXGVRZCZNG-INIZCTEOSA-N 2 0 312.461 2.907 20 0 DFADRP C[N@H+](Cc1ccc(OCCN2CCOCC2)cc1)C(C)(C)C ZINC000639286447 430598118 /nfs/dbraw/zinc/59/81/18/430598118.db2.gz PTGAHFKBFHCLJJ-UHFFFAOYSA-N 2 0 306.450 2.628 20 0 DFADRP C([NH2+]C[C@@H]1CC[C@@H]2C[C@@H]2C1)C1CC[NH+](C2CCOCC2)CC1 ZINC000639302186 430602450 /nfs/dbraw/zinc/60/24/50/430602450.db2.gz DNJAACUXLIETPP-KURKYZTESA-N 2 0 306.494 2.903 20 0 DFADRP CC[C@H]([NH3+])C(=O)NC[C@@H](CC(C)C)[NH2+][C@H](C)c1ccccc1 ZINC000571043170 430599038 /nfs/dbraw/zinc/59/90/38/430599038.db2.gz BOGJPXNQIMTYES-OIISXLGYSA-N 2 0 305.466 2.605 20 0 DFADRP COCC1(C[NH2+]C[C@@H]2C[N@H+](C)C[C@H]2c2ccccc2)CCC1 ZINC000639287304 430600167 /nfs/dbraw/zinc/60/01/67/430600167.db2.gz YSDVWBXBSBRBSZ-MSOLQXFVSA-N 2 0 302.462 2.738 20 0 DFADRP C[C@H](N[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C)[C@@H]1CCC[NH2+]C1 ZINC000570440271 430543194 /nfs/dbraw/zinc/54/31/94/430543194.db2.gz ASPMXINCMRUWDB-BWPNAZKDSA-N 2 0 315.505 2.875 20 0 DFADRP O=c1cc(C[N@@H+]2CCC[C@@H](C[NH+]3CCCCCC3)C2)cc[nH]1 ZINC000639474662 430650427 /nfs/dbraw/zinc/65/04/27/430650427.db2.gz QHTFQFJZXQKAIW-KRWDZBQOSA-N 2 0 303.450 2.875 20 0 DFADRP CCc1nccn1[C@H]1CCCN(Cc2nc(CC3CC3)no2)C1 ZINC000639480009 430650504 /nfs/dbraw/zinc/65/05/04/430650504.db2.gz AOPGTEGBJLKWCH-AWEZNQCLSA-N 2 0 315.421 2.618 20 0 DFADRP CCN(CCC[NH+](CC)CC)Cc1cnc(N2CCCC2)nc1 ZINC000554883513 430653893 /nfs/dbraw/zinc/65/38/93/430653893.db2.gz HEPNVHUVFPYBBL-UHFFFAOYSA-N 2 0 319.497 2.631 20 0 DFADRP C[C@@H]1OCC[C@H]1C[N@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000639504009 430657410 /nfs/dbraw/zinc/65/74/10/430657410.db2.gz OVYKJEDHHZCDNS-WDSOQIARSA-N 2 0 302.462 2.865 20 0 DFADRP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]C[C@@H]1CCN(c2ccc(F)c(F)c2)C1 ZINC000643453264 430602843 /nfs/dbraw/zinc/60/28/43/430602843.db2.gz VAGZKVXZVSEBKO-SUNYJGFJSA-N 2 0 323.431 2.898 20 0 DFADRP C[C@@H](NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1)[C@H]1CCC[NH2+]1 ZINC000643457627 430603532 /nfs/dbraw/zinc/60/35/32/430603532.db2.gz RIJBNGPKBJETCR-NZSAHSFTSA-N 2 0 301.478 2.629 20 0 DFADRP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+]CCc1nccn1Cc1ccccc1 ZINC000643459658 430604084 /nfs/dbraw/zinc/60/40/84/430604084.db2.gz LOAYRXGBDBNZHY-MSOLQXFVSA-N 2 0 312.461 2.724 20 0 DFADRP C[C@H](N[C@H](C[NH+]1CCCC1)c1ccccc1)[C@H]1CCC[NH2+]C1 ZINC000643458443 430604141 /nfs/dbraw/zinc/60/41/41/430604141.db2.gz PQXJJGPHDVFQAZ-YTQUADARSA-N 2 0 301.478 2.801 20 0 DFADRP CC(C)[C@H](C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1)c1ccnn1C ZINC000643484289 430606944 /nfs/dbraw/zinc/60/69/44/430606944.db2.gz PXPKCWYBOBWOFK-LTIDMASMSA-N 2 0 304.482 2.670 20 0 DFADRP CC(C)[C@H](C[NH2+][C@H](Cc1ccccc1)[C@@H](C)[NH3+])c1ccnn1C ZINC000643484271 430607054 /nfs/dbraw/zinc/60/70/54/430607054.db2.gz MTSGBZWQMWFETE-BPQIPLTHSA-N 2 0 314.477 2.708 20 0 DFADRP COc1cc2c(cc1F)[nH+]ccc2N1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000571186783 430609999 /nfs/dbraw/zinc/60/99/99/430609999.db2.gz FXPIVJKKWHWQDG-WHOFXGATSA-N 2 0 315.392 2.946 20 0 DFADRP c1ccc(C[N@H+]2CC[C@H](NCC[NH2+]C3CC3)[C@@H]3CCC[C@H]32)cc1 ZINC000643507390 430611437 /nfs/dbraw/zinc/61/14/37/430611437.db2.gz BNHKQVJNCVEPCT-SLFFLAALSA-N 2 0 313.489 2.771 20 0 DFADRP C[C@H]([NH2+][C@H]1CCCC[C@H]1C[NH3+])c1ccc2c(c1)CCC(=O)N2 ZINC000643512058 430611768 /nfs/dbraw/zinc/61/17/68/430611768.db2.gz FMWLZKWXZNDSJT-RCBQFDQVSA-N 2 0 301.434 2.739 20 0 DFADRP C[NH+](C)CCC[C@H]1C[N@H+](Cc2cccc3ncccc23)CCO1 ZINC000639335017 430612090 /nfs/dbraw/zinc/61/20/90/430612090.db2.gz LOHPRRNLNNHTSD-KRWDZBQOSA-N 2 0 313.445 2.777 20 0 DFADRP COCC1(C[NH2+][C@H]2CCCc3ccccc3C2)CC[NH2+]CC1 ZINC000643531123 430613212 /nfs/dbraw/zinc/61/32/12/430613212.db2.gz VSOHEDHBZKCQIH-SFHVURJKSA-N 2 0 302.462 2.540 20 0 DFADRP COCC1(C[NH2+][C@H]2CCc3c2cc(F)cc3F)CC[NH2+]CC1 ZINC000643530911 430613300 /nfs/dbraw/zinc/61/33/00/430613300.db2.gz WBMPQIUTTMNUTN-INIZCTEOSA-N 2 0 310.388 2.558 20 0 DFADRP C[C@@H]([NH2+][C@@H]1CC12CC[NH2+]CC2)c1ncc(Br)s1 ZINC000643534750 430613470 /nfs/dbraw/zinc/61/34/70/430613470.db2.gz BQQJCXIKIGPWQO-RKDXNWHRSA-N 2 0 316.268 2.698 20 0 DFADRP C[C@H](CCCCO)[NH2+]C[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC000643541212 430613870 /nfs/dbraw/zinc/61/38/70/430613870.db2.gz SJXPYPURSXFORL-UWWQBHOKSA-N 2 0 308.441 2.660 20 0 DFADRP FCCOCC[NH2+][C@H]1CCN(C2CC2)[C@@H](c2ccccc2)C1 ZINC000639337245 430614294 /nfs/dbraw/zinc/61/42/94/430614294.db2.gz LEXAEKHMVYPALE-FUHWJXTLSA-N 2 0 306.425 2.930 20 0 DFADRP COc1ccc(C[C@@H](C)[NH2+][C@H]2CC23CC[NH2+]CC3)c(C)c1OC ZINC000643536222 430614733 /nfs/dbraw/zinc/61/47/33/430614733.db2.gz OOYZHGGCFRLMJZ-DYVFJYSZSA-N 2 0 318.461 2.675 20 0 DFADRP C[C@@H]1[C@H]([NH2+][C@H]2CC23CC[NH2+]CC3)CCCN1Cc1ccccc1 ZINC000643536450 430614767 /nfs/dbraw/zinc/61/47/67/430614767.db2.gz QYNCZRAAJPDMFE-QRQLOZEOSA-N 2 0 313.489 2.771 20 0 DFADRP Cc1ccc([C@@H](C)[NH2+]C2CCC([NH+]3CCNCC3)CC2)c(C)n1 ZINC000643543852 430615785 /nfs/dbraw/zinc/61/57/85/430615785.db2.gz DDAFXSADRUJYRG-WWDZGPRUSA-N 2 0 316.493 2.565 20 0 DFADRP C[C@H]([NH2+][C@H]1CC[NH2+]C2(CCC2)C1)c1ccc2c(c1)OCCO2 ZINC000643547055 430616087 /nfs/dbraw/zinc/61/60/87/430616087.db2.gz YXPPPRGBLOKKOC-ZFWWWQNUSA-N 2 0 302.418 2.783 20 0 DFADRP C[C@@H]1CCC[N@H+](Cc2ccccc2C[NH2+]CC2(O)CCC2)C1 ZINC000571277361 430617340 /nfs/dbraw/zinc/61/73/40/430617340.db2.gz SQJFYWFTENREGA-MRXNPFEDSA-N 2 0 302.462 2.923 20 0 DFADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C[NH2+]CCC[C@H]1CCO1 ZINC000639359629 430620144 /nfs/dbraw/zinc/62/01/44/430620144.db2.gz OLSHRRJRQOJZBL-NEWSRXKRSA-N 2 0 302.462 2.913 20 0 DFADRP O[C@@H](CCc1ccccc1)C[NH2+]C1CC([NH+]2CCCCC2)C1 ZINC000571910384 430661223 /nfs/dbraw/zinc/66/12/23/430661223.db2.gz UZVIPABCOXNILH-ACBHZAAOSA-N 2 0 302.462 2.587 20 0 DFADRP CCC(C)(C)[C@H](C)[NH2+]Cc1ccnc(N2CC[NH+](C)CC2)c1 ZINC000571376159 430622820 /nfs/dbraw/zinc/62/28/20/430622820.db2.gz MIICJQOVSMWZOY-HNNXBMFYSA-N 2 0 304.482 2.748 20 0 DFADRP C[C@@H]([NH2+][C@@H]1CCC[C@@H]1N1CC[C@@H](O)C1)[C@@H]1C[C@H]1c1cccs1 ZINC000639370363 430623002 /nfs/dbraw/zinc/62/30/02/430623002.db2.gz CKZIQSGAHBKNSL-DBHDPKECSA-N 2 0 320.502 2.817 20 0 DFADRP Cc1cc2c(c(C)c1)[C@H]([NH2+][C@@H]1CCC[C@@H]1N1CC[C@H](O)C1)CC2 ZINC000639370919 430623463 /nfs/dbraw/zinc/62/34/63/430623463.db2.gz FFGOSMJIMRDWSH-MANSERQUSA-N 2 0 314.473 2.868 20 0 DFADRP O[C@H]1CCN([C@@H]2CCC[C@@H]2[NH2+][C@H]2CCCc3ccccc3C2)C1 ZINC000639373734 430625153 /nfs/dbraw/zinc/62/51/53/430625153.db2.gz UGAJQOGUNKOLMB-LWYYNNOASA-N 2 0 314.473 2.511 20 0 DFADRP C[C@@H]1[C@H]([NH2+][C@@H]2CCC[C@@H]2N2CC[C@H](O)C2)C[C@H]1c1ccccc1 ZINC000639373769 430625625 /nfs/dbraw/zinc/62/56/25/430625625.db2.gz UTLMQVYUXJKKIE-BWAKRKKZSA-N 2 0 314.473 2.756 20 0 DFADRP C[C@H]1C[C@H]([NH2+]Cc2ccc(C[NH3+])cc2)CN1Cc1ccccc1 ZINC000571563305 430637071 /nfs/dbraw/zinc/63/70/71/430637071.db2.gz YEISWZBATHRCGC-JXFKEZNVSA-N 2 0 309.457 2.898 20 0 DFADRP c1ccc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH2+][C@@H]4CCOC4)[C@H]3C2)cc1 ZINC000643910777 430641819 /nfs/dbraw/zinc/64/18/19/430641819.db2.gz AHZMTGDJCSGZDK-RDGPPVDQSA-N 2 0 300.446 2.666 20 0 DFADRP CCn1c2ccccc2nc1CN(C)[C@H]1CC[N@H+](C)C[C@@H]1C ZINC000571689925 430645977 /nfs/dbraw/zinc/64/59/77/430645977.db2.gz XSHRAFWQVHQSJI-HOCLYGCPSA-N 2 0 300.450 2.828 20 0 DFADRP Cc1cc(C)c(C[N@H+](CCC(N)=O)Cc2ccccc2)c(C)n1 ZINC000639525997 430663361 /nfs/dbraw/zinc/66/33/61/430663361.db2.gz YOWQXEHIWVXIBO-UHFFFAOYSA-N 2 0 311.429 2.884 20 0 DFADRP COC1(C[C@@H](C)Nc2c[nH+]ccc2N2CC[NH+](C)CC2)CCC1 ZINC000555665800 430672435 /nfs/dbraw/zinc/67/24/35/430672435.db2.gz WVNNVDCMFGMRBW-OAHLLOKOSA-N 2 0 318.465 2.593 20 0 DFADRP C[C@@H]([NH2+][C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1)C1CCCCCC1 ZINC000572148147 430674210 /nfs/dbraw/zinc/67/42/10/430674210.db2.gz POZMPKAMSBEBAU-BJZITVGISA-N 2 0 321.509 2.582 20 0 DFADRP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]CCc1cnccn1 ZINC000639580367 430675557 /nfs/dbraw/zinc/67/55/57/430675557.db2.gz MLZCHRJKXXXEHU-YRWFTTLQSA-N 2 0 324.472 2.765 20 0 DFADRP COCC[N@H+](C)CCCC1CC[NH+](Cc2ccncc2C)CC1 ZINC000556142729 430679208 /nfs/dbraw/zinc/67/92/08/430679208.db2.gz NRGJVXKWRUGJAO-UHFFFAOYSA-N 2 0 319.493 2.960 20 0 DFADRP C[N@@H+](Cc1cccc2c1CCOC2)C[C@H]1CCc2nccn2C1 ZINC000639600379 430679991 /nfs/dbraw/zinc/67/99/91/430679991.db2.gz NSCZSUVFPKEHPG-OAHLLOKOSA-N 2 0 311.429 2.650 20 0 DFADRP C[C@@H]1CC[N@H+](CC[C@@H]2CCC[NH+]2C)C[C@@H]1C(=O)OC(C)(C)C ZINC000572479856 430688494 /nfs/dbraw/zinc/68/84/94/430688494.db2.gz NDYZNWMMPWVPRB-PMPSAXMXSA-N 2 0 310.482 2.770 20 0 DFADRP C[C@H]1CN(Cc2ccccn2)CC[C@@H]1[NH2+]CCOCC1CCC1 ZINC000572571972 430690824 /nfs/dbraw/zinc/69/08/24/430690824.db2.gz GSYVCFQWPJOLOS-LPHOPBHVSA-N 2 0 317.477 2.698 20 0 DFADRP Fc1ccc(N2CC[C@H]([NH2+]C3CC[NH+](CC4CC4)CC3)C2)cc1 ZINC000556881858 430695126 /nfs/dbraw/zinc/69/51/26/430695126.db2.gz MDAIKWYXSYCPOQ-SFHVURJKSA-N 2 0 317.452 2.868 20 0 DFADRP C[C@@H](CN1CC[NH+](C)CC1)[NH2+][C@H]1CC(C)(C)c2ccccc21 ZINC000177968608 278260993 /nfs/dbraw/zinc/26/09/93/278260993.db2.gz XEBQUDOJQBCZQZ-YJBOKZPZSA-N 2 0 301.478 2.635 20 0 DFADRP C[N@@H+]1CC[C@H](Nc2cc(NC3CC3)ncn2)[C@@H]1c1ccccc1 ZINC000556839872 430694076 /nfs/dbraw/zinc/69/40/76/430694076.db2.gz ZBQLWVXOZKPKOA-YJBOKZPZSA-N 2 0 309.417 2.908 20 0 DFADRP C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)C1([NH3+])CCC1 ZINC000296042310 278333551 /nfs/dbraw/zinc/33/35/51/278333551.db2.gz OCVUFFKIIFKECT-HNNXBMFYSA-N 2 0 315.461 2.559 20 0 DFADRP CC(C)(C)[NH+]1CCC([NH2+][C@@H]2CCO[C@@]3(CCSC3)C2)CC1 ZINC000181452906 278341847 /nfs/dbraw/zinc/34/18/47/278341847.db2.gz UQIFUWCMGKKOHI-WBVHZDCISA-N 2 0 312.523 2.894 20 0 DFADRP COc1ccc([C@@H](C)C[NH2+]C2CCN([C@@H]3CCOC3)CC2)cc1 ZINC000657753604 430724917 /nfs/dbraw/zinc/72/49/17/430724917.db2.gz YGFPIBADAHNLLL-MAUKXSAKSA-N 2 0 318.461 2.642 20 0 DFADRP Cc1cc(Cl)cc(C[NH2+]C2CCN([C@@H]3CCOC3)CC2)c1 ZINC000657750966 430725194 /nfs/dbraw/zinc/72/51/94/430725194.db2.gz FNYOPUYMKFEUHT-QGZVFWFLSA-N 2 0 308.853 2.991 20 0 DFADRP COc1ccccc1/C=C/C[NH2+]C1CCN([C@H]2CCOC2)CC1 ZINC000657751338 430725270 /nfs/dbraw/zinc/72/52/70/430725270.db2.gz QMKJZQSVMIAWID-JXTAAOLFSA-N 2 0 316.445 2.551 20 0 DFADRP CC[NH+]1CCN([C@H](C)C[NH2+][C@H]2CCCc3ccccc3C2)CC1 ZINC000648421185 430781260 /nfs/dbraw/zinc/78/12/60/430781260.db2.gz QOCWFVLXUIFQBY-XLIONFOSSA-N 2 0 315.505 2.550 20 0 DFADRP CO[C@@H](C[NH2+]Cc1cn(-c2cc[nH+]cc2)nc1C)C1CCCC1 ZINC000657768134 430730401 /nfs/dbraw/zinc/73/04/01/430730401.db2.gz WDQQTIPLPBMXLN-SFHVURJKSA-N 2 0 314.433 2.871 20 0 DFADRP C[NH+](C)CCOc1ccc(C[NH2+]C[C@H]2CCOC2(C)C)cc1 ZINC000657784886 430734049 /nfs/dbraw/zinc/73/40/49/430734049.db2.gz HCIJOQSSVUSWJE-MRXNPFEDSA-N 2 0 306.450 2.532 20 0 DFADRP CCC[N@H+](C)CC(C)(C)NCc1cn(-c2cc[nH+]cc2)nc1C ZINC000657792221 430737145 /nfs/dbraw/zinc/73/71/45/430737145.db2.gz HEZZTYKSADVELQ-UHFFFAOYSA-N 2 0 315.465 2.786 20 0 DFADRP C[C@@H](c1ccccc1)[C@H](O)C[NH2+]Cc1ccnn1-c1cc[nH+]cc1 ZINC000657797239 430739797 /nfs/dbraw/zinc/73/97/97/430739797.db2.gz IRBJFWVWUAQCFF-HNAYVOBHSA-N 2 0 322.412 2.522 20 0 DFADRP COc1ccc(C[NH2+]CC2CC[NH+](CC3CC3)CC2)c(OC)c1 ZINC000657812123 430741785 /nfs/dbraw/zinc/74/17/85/430741785.db2.gz MCRHOUPROJAOTR-UHFFFAOYSA-N 2 0 318.461 2.915 20 0 DFADRP COc1ccc(C[NH2+]CC2CC[NH+](CC3CC3)CC2)cc1OC ZINC000657811806 430742468 /nfs/dbraw/zinc/74/24/68/430742468.db2.gz HFNZUDGDJNZXHJ-UHFFFAOYSA-N 2 0 318.461 2.915 20 0 DFADRP CC(C)(C)c1n[nH]cc1C[NH2+]CC1CC[NH+](CC2CC2)CC1 ZINC000657812989 430744281 /nfs/dbraw/zinc/74/42/81/430744281.db2.gz YLFMPVDAVHBSKG-UHFFFAOYSA-N 2 0 304.482 2.919 20 0 DFADRP CC[C@H](Cc1ccc(Cl)cc1)[NH2+]CCCN1CC[NH+](C)CC1 ZINC000657825457 430746293 /nfs/dbraw/zinc/74/62/93/430746293.db2.gz WSSXQDYZTANUOA-GOSISDBHSA-N 2 0 323.912 2.888 20 0 DFADRP COCC[N@H+](C)CCC[NH2+][C@@H](C)c1cc2ccncc2s1 ZINC000657833325 430748526 /nfs/dbraw/zinc/74/85/26/430748526.db2.gz JCZOQRLGTOWMKF-ZDUSSCGKSA-N 2 0 307.463 2.915 20 0 DFADRP COC[C@@H](CC1CCOCC1)[NH2+]C1CC[NH+](CC(C)C)CC1 ZINC000657831940 430748775 /nfs/dbraw/zinc/74/87/75/430748775.db2.gz GTQRYWUQQFOGDU-GOSISDBHSA-N 2 0 312.498 2.528 20 0 DFADRP CCN1CC[NH+](CCCC[NH2+][C@@H]2[C@@H]3CCC[C@@H]3C2(C)C)CC1 ZINC000657835048 430750053 /nfs/dbraw/zinc/75/00/53/430750053.db2.gz KCOBMVABHUWMAE-FGTMMUONSA-N 2 0 307.526 2.818 20 0 DFADRP Fc1cc(C[NH2+][C@@H]2CCCn3nccc32)ccc1-n1ccnc1 ZINC000657850675 430752012 /nfs/dbraw/zinc/75/20/12/430752012.db2.gz KHNWUKPJLKDQIP-OAHLLOKOSA-N 2 0 311.364 2.833 20 0 DFADRP C[NH+](C)Cc1cc(C[NH2+]C[C@@H](O)CC2CCCC2)ccc1F ZINC000644568476 430754375 /nfs/dbraw/zinc/75/43/75/430754375.db2.gz ZOQLJUPIDQJBAB-KRWDZBQOSA-N 2 0 308.441 2.918 20 0 DFADRP CCCC[NH+]1CCC([NH2+][C@H](COC)CC2CCOCC2)CC1 ZINC000657860195 430755478 /nfs/dbraw/zinc/75/54/78/430755478.db2.gz XQBVNRGIPBOULW-SFHVURJKSA-N 2 0 312.498 2.672 20 0 DFADRP COC1([C@H](C)[NH2+]Cc2ccccc2OCC[NH+](C)C)CCC1 ZINC000657860676 430755580 /nfs/dbraw/zinc/75/55/80/430755580.db2.gz BZXYLNVKYRVAHF-HNNXBMFYSA-N 2 0 306.450 2.674 20 0 DFADRP c1ccc(CC[N@@H+]2CC[C@H](C[NH2+][C@@H]3COC4(CCC4)C3)C2)cc1 ZINC000657867800 430756700 /nfs/dbraw/zinc/75/67/00/430756700.db2.gz PKFMLLPORLIZOC-MOPGFXCFSA-N 2 0 314.473 2.852 20 0 DFADRP CC[C@@H](Cc1ccc(C(F)(F)F)cc1)[NH2+]C[C@@H](O)CN(C)C ZINC000657876037 430758417 /nfs/dbraw/zinc/75/84/17/430758417.db2.gz SZFPNBSCELNGKD-LSDHHAIUSA-N 2 0 318.383 2.539 20 0 DFADRP C[C@@H]([NH2+]CCCC[N@@H+]1CCC[C@H]1CO)c1cc2cnccc2o1 ZINC000657882127 430760099 /nfs/dbraw/zinc/76/00/99/430760099.db2.gz XUJQKOANILJVSH-ZBFHGGJFSA-N 2 0 317.433 2.715 20 0 DFADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)[C@H]1C[C@@H]1C1CCCC1 ZINC000651328275 430765852 /nfs/dbraw/zinc/76/58/52/430765852.db2.gz UHDXHUHDLXMERG-MSOLQXFVSA-N 2 0 323.525 2.545 20 0 DFADRP CC[NH+](CC)CCOCC[NH2+][C@@H](C)c1cc2cnccc2o1 ZINC000657972757 430778850 /nfs/dbraw/zinc/77/88/50/430778850.db2.gz JNFSDOIYIKLREQ-AWEZNQCLSA-N 2 0 305.422 2.837 20 0 DFADRP CC[NH+]1CCN([C@H](C)C[NH2+][C@@H]2CCCc3ccccc3C2)CC1 ZINC000648421186 430780295 /nfs/dbraw/zinc/78/02/95/430780295.db2.gz QOCWFVLXUIFQBY-YLJYHZDGSA-N 2 0 315.505 2.550 20 0 DFADRP C[C@H]1OCC[C@H]1[NH2+]Cc1ccccc1C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000178681590 278523741 /nfs/dbraw/zinc/52/37/41/278523741.db2.gz CMQIARNFGCQDIQ-YKTARERQSA-N 2 0 318.461 2.563 20 0 DFADRP COc1ccsc1[C@H](C)[NH2+][C@@H](C)CN(C)CCC[NH+](C)C ZINC000658105715 430813451 /nfs/dbraw/zinc/81/34/51/430813451.db2.gz CUNTXXXHEUDJOH-KBPBESRZSA-N 2 0 313.511 2.679 20 0 DFADRP C[C@@H](CCN1CC[NH+](C)CC1)[NH2+][C@@H]1CCCc2ccccc2C1 ZINC000648526158 430814079 /nfs/dbraw/zinc/81/40/79/430814079.db2.gz WESDUHKOSAHIOM-FXAWDEMLSA-N 2 0 315.505 2.550 20 0 DFADRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+][C@H]1CCCc2ccccc2C1 ZINC000648526162 430814615 /nfs/dbraw/zinc/81/46/15/430814615.db2.gz WESDUHKOSAHIOM-XLIONFOSSA-N 2 0 315.505 2.550 20 0 DFADRP C[C@H](CCC1CC1)[NH2+]Cc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1 ZINC000658135956 430820691 /nfs/dbraw/zinc/82/06/91/430820691.db2.gz FXTBNZGOGBGGMH-BEFAXECRSA-N 2 0 302.462 2.922 20 0 DFADRP C[C@H]([NH2+]Cc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1)C1CCCC1 ZINC000658139889 430823614 /nfs/dbraw/zinc/82/36/14/430823614.db2.gz NOCGHPKSMMSGQE-HNAYVOBHSA-N 2 0 302.462 2.922 20 0 DFADRP CC1CC[NH+](CCC[NH2+][C@H]2CCO[C@H](C(F)(F)F)C2)CC1 ZINC000314774013 278540538 /nfs/dbraw/zinc/54/05/38/278540538.db2.gz KBDGGSNTPAOJGF-KBPBESRZSA-N 2 0 308.388 2.808 20 0 DFADRP C[N@H+](CCCC[NH2+]Cc1ccc(C(=O)NC2CC2)cc1)C1CC1 ZINC000651600485 430828170 /nfs/dbraw/zinc/82/81/70/430828170.db2.gz JDKZXTIDZAAVGI-UHFFFAOYSA-N 2 0 315.461 2.543 20 0 DFADRP COC1CCC([NH2+]CC2CC[NH+](Cc3ccncc3)CC2)CC1 ZINC000658166187 430832604 /nfs/dbraw/zinc/83/26/04/430832604.db2.gz MYAKCLDMQXVIQR-UHFFFAOYSA-N 2 0 317.477 2.841 20 0 DFADRP C[C@@H](COc1c(F)cccc1F)[NH2+][C@@H]1CN(C2CC2)C[C@@H]1C ZINC000658178610 430835485 /nfs/dbraw/zinc/83/54/85/430835485.db2.gz OICUILMSYSRHIU-MQIPJXDCSA-N 2 0 310.388 2.804 20 0 DFADRP Cc1cc[nH+]c(NC[C@@H]2CC[N@@H+]([C@H](C)c3cnc(C)cn3)C2)c1 ZINC000644668250 430785155 /nfs/dbraw/zinc/78/51/55/430785155.db2.gz LBLPLYHVUIOZPT-CVEARBPZSA-N 2 0 311.433 2.983 20 0 DFADRP Cc1cc[nH+]c(NC[C@H]2CC[N@@H+]([C@H](C)c3cnc(C)cn3)C2)c1 ZINC000644668256 430785763 /nfs/dbraw/zinc/78/57/63/430785763.db2.gz LBLPLYHVUIOZPT-HZPDHXFCSA-N 2 0 311.433 2.983 20 0 DFADRP C[C@@H](Cc1ccccc1)[NH+]1CCC([NH2+][C@@H](C)C(C)(C)O)CC1 ZINC000648439875 430787389 /nfs/dbraw/zinc/78/73/89/430787389.db2.gz HDRPQIPCQKJJIO-HOTGVXAUSA-N 2 0 304.478 2.831 20 0 DFADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]CCC2CC(OC)C2)[C@@H](C)C1 ZINC000658054846 430795664 /nfs/dbraw/zinc/79/56/64/430795664.db2.gz FEDKXPMSVPDEGH-BFWZDYSYSA-N 2 0 312.498 2.528 20 0 DFADRP CCOC1CCC([NH2+]CC2CC[NH+](C3CCOCC3)CC2)CC1 ZINC000658070513 430798295 /nfs/dbraw/zinc/79/82/95/430798295.db2.gz PRVSQJCYEAAXOG-UHFFFAOYSA-N 2 0 324.509 2.815 20 0 DFADRP CO[C@H](C[NH2+]C1CC[NH+]([C@@H]2CCC[C@@H](C)C2)CC1)[C@H]1CCOC1 ZINC000658074553 430800719 /nfs/dbraw/zinc/80/07/19/430800719.db2.gz UDCPYECLWKNKGN-UKBAYJJMSA-N 2 0 324.509 2.671 20 0 DFADRP CC[NH+]1CCN(CCC[NH2+][C@@H]2CCCc3ccccc3C2)CC1 ZINC000648496095 430806950 /nfs/dbraw/zinc/80/69/50/430806950.db2.gz MABPBCUMRSYWRX-HXUWFJFHSA-N 2 0 315.505 2.551 20 0 DFADRP C[C@@H]1CCCCC[C@H]1[NH2+]Cc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000651673337 430846306 /nfs/dbraw/zinc/84/63/06/430846306.db2.gz FLNQUYFGXGXSGP-SJLPKXTDSA-N 2 0 316.493 2.892 20 0 DFADRP C[C@H]([NH2+][C@@H]1C[C@H](O)C12CCC2)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000658253135 430853119 /nfs/dbraw/zinc/85/31/19/430853119.db2.gz STKULDUGXHKSTQ-AITUJVMLSA-N 2 0 314.473 2.790 20 0 DFADRP C[C@@H]1CCC[C@H]([NH+]2CCC([NH2+][C@H]3C[C@H](O)C34CCC4)CC2)C1 ZINC000658257519 430854281 /nfs/dbraw/zinc/85/42/81/430854281.db2.gz YSXMZWPSGMBOCX-UBDQQSCGSA-N 2 0 306.494 2.923 20 0 DFADRP COC[C@H](CC(C)(C)C)[NH2+]CCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000651720916 430857771 /nfs/dbraw/zinc/85/77/71/430857771.db2.gz OBWMMUNTFRUXQE-BBWFWOEESA-N 2 0 314.514 2.917 20 0 DFADRP CC(C)[NH+]1CCC(O)(C[NH2+]Cc2cccc3c2CCC3)CC1 ZINC000651731891 430860959 /nfs/dbraw/zinc/86/09/59/430860959.db2.gz BIXIWXPCSCORIB-UHFFFAOYSA-N 2 0 302.462 2.500 20 0 DFADRP COC[C@H](CC(C)(C)C)Nc1c[nH+]ccc1N1CC[NH+](C)CC1 ZINC000651745006 430864341 /nfs/dbraw/zinc/86/43/41/430864341.db2.gz XCQVJCDBRDYCMR-HNNXBMFYSA-N 2 0 320.481 2.697 20 0 DFADRP FC(F)(F)[C@H](C[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1)OC1CCCC1 ZINC000665239654 430866458 /nfs/dbraw/zinc/86/64/58/430866458.db2.gz WMROAMURWLIICF-XPCVCDNBSA-N 2 0 320.399 2.854 20 0 DFADRP C[C@@H](Cc1ccccc1)[NH+]1CCC(NCC2([NH3+])CCCC2)CC1 ZINC000665246971 430868253 /nfs/dbraw/zinc/86/82/53/430868253.db2.gz SCQUYWWJDTUYEU-KRWDZBQOSA-N 2 0 315.505 2.943 20 0 DFADRP C[C@H](NCC1([NH3+])CCCC1)c1cccc(OCC[NH+](C)C)c1 ZINC000665249345 430869248 /nfs/dbraw/zinc/86/92/48/430869248.db2.gz OHCULMROTNPZEX-HNNXBMFYSA-N 2 0 305.466 2.549 20 0 DFADRP C[C@H]([NH2+][C@@H]1CNCC[C@@H]1c1cccc(F)c1)C1CC[NH+](C)CC1 ZINC000665253549 430870078 /nfs/dbraw/zinc/87/00/78/430870078.db2.gz VNEHRUPWBJMXHH-GDIGMMSISA-N 2 0 319.468 2.591 20 0 DFADRP C[C@H]1C[N@H+](CCC[NH2+]Cc2cccc3c2CCC3)CCCO1 ZINC000651786400 430874716 /nfs/dbraw/zinc/87/47/16/430874716.db2.gz WAIKSOGPEJQZGE-INIZCTEOSA-N 2 0 302.462 2.766 20 0 DFADRP c1ccc([C@@H]2CO[C@H](C[NH2+][C@@H]3CC[C@@H]4C[NH2+]C[C@@H]4C3)C2)cc1 ZINC000665263270 430875145 /nfs/dbraw/zinc/87/51/45/430875145.db2.gz JKAOTCPNCHTCDF-SPOLIRPYSA-N 2 0 300.446 2.537 20 0 DFADRP C[C@]1(C[NH2+][C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)CC1(F)F ZINC000665267524 430876688 /nfs/dbraw/zinc/87/66/88/430876688.db2.gz YHBWDPQQUXNEDS-FVQBIDKESA-N 2 0 308.372 2.877 20 0 DFADRP c1ccc(C[N@H+]2C[C@H](CNC3CC[NH2+]CC3)C3(CCC3)C2)cc1 ZINC000665277069 430878880 /nfs/dbraw/zinc/87/88/80/430878880.db2.gz SAMAHILHUHSLHM-SFHVURJKSA-N 3 0 313.489 2.630 20 0 DFADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]Cc1c(C2CCC2)cnn1C ZINC000665274766 430878964 /nfs/dbraw/zinc/87/89/64/430878964.db2.gz YDVPFSKLIKBFRY-LBPRGKRZSA-N 2 0 313.449 2.701 20 0 DFADRP Cn1cc(C[C@@H]2CCC[C@@H]2[NH2+][C@H]2C[C@H]([NH3+])c3ccccc32)cn1 ZINC000665273178 430879058 /nfs/dbraw/zinc/87/90/58/430879058.db2.gz QZBFTFWPAPBWSU-QZHFEQFPSA-N 2 0 310.445 2.866 20 0 DFADRP c1ccc2c(CC[NH2+][C@@H]3CC[C@@H]4C[NH2+]C[C@@H]4C3)nsc2c1 ZINC000665275754 430879737 /nfs/dbraw/zinc/87/97/37/430879737.db2.gz QYGPWQYMCLCPES-HZSPNIEDSA-N 2 0 301.459 2.817 20 0 DFADRP CC(C)[C@H]([NH3+])CC[NH2+][C@@H](C)c1ccc(-n2cncn2)cc1Cl ZINC000665281008 430880710 /nfs/dbraw/zinc/88/07/10/430880710.db2.gz RNCLXODGPOTUJI-BLLLJJGKSA-N 2 0 321.856 2.945 20 0 DFADRP CC(C)[C@H]([NH3+])CC[NH2+][C@@H](C)c1cccc(OCC[NH+](C)C)c1 ZINC000665281213 430881823 /nfs/dbraw/zinc/88/18/23/430881823.db2.gz XJWRXAHRGLQCHL-MAUKXSAKSA-N 3 0 307.482 2.651 20 0 DFADRP CC(C)[C@H]([NH3+])CCN[C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000665282252 430883180 /nfs/dbraw/zinc/88/31/80/430883180.db2.gz UHQCNLKBYWZELB-QXAKKESOSA-N 2 0 303.494 2.860 20 0 DFADRP C[C@H]([NH2+]C[C@@H]1CCN1Cc1ccccc1)C1CC[NH+](C)CC1 ZINC000658349010 430883323 /nfs/dbraw/zinc/88/33/23/430883323.db2.gz QSAAZDHCQJFJER-LPHOPBHVSA-N 2 0 301.478 2.581 20 0 DFADRP CCC[NH+]1CCC([NH2+]C[C@@H]2CCN2Cc2ccccc2)CC1 ZINC000658348862 430883329 /nfs/dbraw/zinc/88/33/29/430883329.db2.gz SLRCDKSSXTWFGI-IBGZPJMESA-N 2 0 301.478 2.725 20 0 DFADRP COc1cccc(C[C@H](C)[NH2+]CC2CC[NH+](CC3CC3)CC2)n1 ZINC000658355413 430883932 /nfs/dbraw/zinc/88/39/32/430883932.db2.gz IPVIOHKVEZDLKW-HNNXBMFYSA-N 2 0 317.477 2.733 20 0 DFADRP CC(C)[C@H]([NH3+])CCN[C@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000665282250 430884291 /nfs/dbraw/zinc/88/42/91/430884291.db2.gz UHQCNLKBYWZELB-BHIYHBOVSA-N 2 0 303.494 2.860 20 0 DFADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]CC1CC[NH+](CC2CC2)CC1 ZINC000665299266 430888426 /nfs/dbraw/zinc/88/84/26/430888426.db2.gz JPWXNMGWPWWBNT-AWEZNQCLSA-N 3 0 316.493 2.621 20 0 DFADRP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@@H+]2Cc1cccc2c1CCC2 ZINC000651651116 430839160 /nfs/dbraw/zinc/83/91/60/430839160.db2.gz LZPVPMJQLHHVON-YZGWKJHDSA-N 2 0 314.473 2.859 20 0 DFADRP CCC[N@H+](C)CC(C)(C)NC(=O)NCc1cc(C)nc(C)c1 ZINC000665165688 430843231 /nfs/dbraw/zinc/84/32/31/430843231.db2.gz WPVSLTPBULWDRV-UHFFFAOYSA-N 2 0 306.454 2.618 20 0 DFADRP C[C@H]1CN(C2CC2)C[C@@H]1[NH2+]C[C@@H]1C[C@H](c2ccccc2)CO1 ZINC000658209270 430843242 /nfs/dbraw/zinc/84/32/42/430843242.db2.gz ZOKXOEJOJKIYKV-CBVHJVASSA-N 2 0 300.446 2.631 20 0 DFADRP [NH3+]C[C@@H]1CCC[C@H]1[NH2+]Cc1cccc(COC[C@H]2CCCO2)c1 ZINC000665294427 430889884 /nfs/dbraw/zinc/88/98/84/430889884.db2.gz OQEIVUMCMKHTIG-IPMKNSEASA-N 2 0 318.461 2.599 20 0 DFADRP CC[NH+]1CCN(CC(C)(C)[NH2+]Cc2cccc3c2CCC3)CC1 ZINC000651825496 430890794 /nfs/dbraw/zinc/89/07/94/430890794.db2.gz OQAIZFMIUAUYAW-UHFFFAOYSA-N 2 0 315.505 2.681 20 0 DFADRP COc1ccccc1-c1cc(C[NH2+][C@@H]2CCCC[C@@H]2C[NH3+])on1 ZINC000665299766 430890833 /nfs/dbraw/zinc/89/08/33/430890833.db2.gz SFKKQXMMVQDEKJ-CZUORRHYSA-N 2 0 315.417 2.957 20 0 DFADRP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+][C@H]1CCc2ccccc2-n2ccnc21 ZINC000665299700 430891552 /nfs/dbraw/zinc/89/15/52/430891552.db2.gz ROMGMGMZZHBZIM-BBWFWOEESA-N 2 0 310.445 2.967 20 0 DFADRP CC1(C)COC[C@@H]1[NH2+]Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000648795031 430895525 /nfs/dbraw/zinc/89/55/25/430895525.db2.gz YPXPKLRMBAGIBP-SFHVURJKSA-N 2 0 318.461 2.676 20 0 DFADRP C[NH+](C)CCOc1ccc(C[N@@H+]2CC[C@]3(CC3(F)F)C2)cc1 ZINC000652062561 430949915 /nfs/dbraw/zinc/94/99/15/430949915.db2.gz OFCSBOLJCUVMCR-INIZCTEOSA-N 2 0 310.388 2.858 20 0 DFADRP C[C@@H]1[C@H](C(=O)Nc2ccc(CN(C)C)c(Cl)c2)CC[N@@H+]1C ZINC000648889903 430925810 /nfs/dbraw/zinc/92/58/10/430925810.db2.gz XHOKAQQPOOVBRD-BXUZGUMPSA-N 2 0 309.841 2.680 20 0 DFADRP CC[C@H]([NH2+]Cc1ccc(OCC[NH+]2CCCC2)cc1)C(C)(C)O ZINC000645210156 430937177 /nfs/dbraw/zinc/93/71/77/430937177.db2.gz SFBAKPPINAMRJN-SFHVURJKSA-N 2 0 320.477 2.800 20 0 DFADRP C[NH2+]Cc1cccc(NC(=O)NC[C@@H]2CC[N@@H+](C(C)(C)C)C2)c1 ZINC000659018711 430942390 /nfs/dbraw/zinc/94/23/90/430942390.db2.gz LMNNDPZFRMRNKD-HNNXBMFYSA-N 2 0 318.465 2.648 20 0 DFADRP CC[C@H]([NH2+]C[C@@H](C)C[NH+](C)C)c1cc(OC)c(OC)c(OC)c1 ZINC000652201151 430985428 /nfs/dbraw/zinc/98/54/28/430985428.db2.gz XCCVYNPRVQBFLH-HIFRSBDPSA-N 2 0 324.465 2.951 20 0 DFADRP CCOc1ccc([C@H]2CCC[N@@H+]2C[C@H]2CCC3(C[NH2+]C3)O2)cc1 ZINC000662248496 431012161 /nfs/dbraw/zinc/01/21/61/431012161.db2.gz DGUGUUDIMMSWBB-QZTJIDSGSA-N 2 0 316.445 2.743 20 0 DFADRP CC(C)c1cc(NCc2ccc3c[nH+]cn3c2)nc(N(C)C)[nH+]1 ZINC000665734638 431019616 /nfs/dbraw/zinc/01/96/16/431019616.db2.gz ZKNJIKFHFFFMHB-UHFFFAOYSA-N 2 0 310.405 2.926 20 0 DFADRP [NH3+]C[C@H](NC(=O)C1([NH3+])CC2(CCC2)C1)c1ccc2ccccc2c1 ZINC000659308490 431019685 /nfs/dbraw/zinc/01/96/85/431019685.db2.gz UILQVLNTCXJILW-KRWDZBQOSA-N 2 0 323.440 2.617 20 0 DFADRP Fc1ccc(C2CC[NH+](C[C@H]3CCC4(C[NH2+]C4)O3)CC2)cc1F ZINC000662257368 431019763 /nfs/dbraw/zinc/01/97/63/431019763.db2.gz MYHBTFBYVCIFRF-OAHLLOKOSA-N 2 0 322.399 2.665 20 0 DFADRP Clc1ccc([C@@H]2CC[N@H+](C[C@H]3CCC4(C[NH2+]C4)O3)C2)cc1 ZINC000662256608 431020483 /nfs/dbraw/zinc/02/04/83/431020483.db2.gz WZPWUSSWDHGGOR-GDBMZVCRSA-N 2 0 306.837 2.650 20 0 DFADRP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cccc3c2CC[NH2+]C3)C[C@H]1C ZINC000662263567 431022204 /nfs/dbraw/zinc/02/22/04/431022204.db2.gz NKPDAJMHOURFGK-CRAIPNDOSA-N 3 0 301.478 2.637 20 0 DFADRP CN1CC[N@H+](Cc2cccc3c2CC[NH2+]C3)C2(CCCCC2)C1 ZINC000662261774 431022474 /nfs/dbraw/zinc/02/24/74/431022474.db2.gz APKQCZFRQZIBCZ-UHFFFAOYSA-N 2 0 313.489 2.783 20 0 DFADRP CC[N@H+](CCCNC(=O)C[C@H]1CCC[NH2+]C1)C1CCCCC1 ZINC000655484824 431024652 /nfs/dbraw/zinc/02/46/52/431024652.db2.gz YJCDTWSHPKECLH-MRXNPFEDSA-N 2 0 309.498 2.537 20 0 DFADRP Cc1cc(C)n([C@H]2CCC[N@H+](Cc3ccc4c(c3)C[NH2+]CC4)C2)n1 ZINC000652339210 431025167 /nfs/dbraw/zinc/02/51/67/431025167.db2.gz IBOMJNCIMZPBHQ-FQEVSTJZSA-N 2 0 324.472 2.983 20 0 DFADRP CC[N@H+](CCCNC(=O)[C@@H]1C[C@@]12CCC[NH2+]C2)C1CCCCC1 ZINC000655484872 431025228 /nfs/dbraw/zinc/02/52/28/431025228.db2.gz ZIVSXZNUNCYLCD-PKOBYXMFSA-N 2 0 321.509 2.537 20 0 DFADRP C[NH2+]C[C@](C)(O)C[N@H+]1Cc2ccccc2[C@@H](c2ccccc2)C1 ZINC000652336861 431025698 /nfs/dbraw/zinc/02/56/98/431025698.db2.gz IJRLXBGAEFAUOY-UXHICEINSA-N 2 0 310.441 2.605 20 0 DFADRP [NH3+]C[C@]12CCC[C@H]1CN(Cc1csc(-c3ccoc3)n1)C2 ZINC000652352415 431026715 /nfs/dbraw/zinc/02/67/15/431026715.db2.gz UGPZRPCFTRACRD-BBRMVZONSA-N 2 0 303.431 2.964 20 0 DFADRP COc1cccc([C@H](C)[N@@H+]2CCC[C@H]([C@@H]3C[C@@H]([NH3+])CCO3)C2)c1 ZINC000652348590 431026909 /nfs/dbraw/zinc/02/69/09/431026909.db2.gz JBBXCATUBOVQDF-XPYUAMARSA-N 2 0 318.461 2.975 20 0 DFADRP C[C@H]1CCCC[N@@H+]1CCCCNC(=O)c1cccc2c1C[NH2+]C2 ZINC000662389000 431069324 /nfs/dbraw/zinc/06/93/24/431069324.db2.gz RZGZYACGQUHVLD-HNNXBMFYSA-N 2 0 315.461 2.674 20 0 DFADRP c1cc(C[N@@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)c2c(c1)C[NH2+]CC2 ZINC000662273007 431027541 /nfs/dbraw/zinc/02/75/41/431027541.db2.gz JIXQEHZJPAIESW-AEFFLSMTSA-N 3 0 313.489 2.544 20 0 DFADRP CCc1cccc(C[N@@H+]2CCC[C@H]([C@H]3C[C@H]([NH3+])CCO3)C2)c1 ZINC000652349391 431028717 /nfs/dbraw/zinc/02/87/17/431028717.db2.gz MZYFXARXSRULRK-IPMKNSEASA-N 2 0 302.462 2.967 20 0 DFADRP Cc1c(F)cccc1NC(=O)CC[N@H+]1CCC[C@H](C)[C@H]1CC[NH3+] ZINC000652355203 431030821 /nfs/dbraw/zinc/03/08/21/431030821.db2.gz QVIJBIWHSWKVCY-SUMWQHHRSA-N 2 0 321.440 2.912 20 0 DFADRP CO[C@H](C[NH+]1CCC([C@@H]2OCCC[C@H]2[NH3+])CC1)C1CCCCC1 ZINC000662281262 431032195 /nfs/dbraw/zinc/03/21/95/431032195.db2.gz LLKKSOMNBHDVPX-QRVBRYPASA-N 2 0 324.509 2.800 20 0 DFADRP Clc1ccc([C@@H]([NH2+]C[C@@H]2CCC3(C[NH2+]C3)O2)C2CC2)cc1 ZINC000662283573 431032738 /nfs/dbraw/zinc/03/27/38/431032738.db2.gz VEKWHWRRRFWLPD-HOTGVXAUSA-N 2 0 306.837 2.902 20 0 DFADRP Cc1cccc2nc(C[NH+]3CCC([C@H]4CCC[NH2+]C4)CC3)cn21 ZINC000662293953 431035120 /nfs/dbraw/zinc/03/51/20/431035120.db2.gz VOHUNZOXIIJGCC-KRWDZBQOSA-N 2 0 312.461 2.854 20 0 DFADRP C[C@H]1C[N@H+](C[C@@H]2CCC3(C[NH2+]C3)O2)CCc2ccc(Cl)cc21 ZINC000662286597 431035232 /nfs/dbraw/zinc/03/52/32/431035232.db2.gz RLKIWLGKIOAYKN-BBRMVZONSA-N 2 0 320.864 2.823 20 0 DFADRP c1cc(C[N@@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)c2c(c1)C[NH2+]CC2 ZINC000662292334 431035420 /nfs/dbraw/zinc/03/54/20/431035420.db2.gz DQLPLHABVHUIRQ-SFHVURJKSA-N 3 0 313.489 2.544 20 0 DFADRP COc1c(C)cnc(C[NH+]2CCC([C@@H]3CCC[NH2+]C3)CC2)c1C ZINC000662293383 431035956 /nfs/dbraw/zinc/03/59/56/431035956.db2.gz RHDYVKBJGCFBKE-QGZVFWFLSA-N 2 0 317.477 2.919 20 0 DFADRP c1c2c(oc1-c1ccccc1)CC[N@@H+](C[C@H]1CCC3(C[NH2+]C3)O1)C2 ZINC000662287281 431036371 /nfs/dbraw/zinc/03/63/71/431036371.db2.gz XPUWENLHIJBJTQ-QGZVFWFLSA-N 2 0 324.424 2.826 20 0 DFADRP CC[C@@H]([NH2+]C)C(=O)NCc1ccc(C[N@@H+]2CCCC[C@H]2C)cc1 ZINC000662389512 431069604 /nfs/dbraw/zinc/06/96/04/431069604.db2.gz YGLGJKUAPAISBB-CRAIPNDOSA-N 2 0 317.477 2.675 20 0 DFADRP [NH3+]C[C@@H]1CCc2ccccc2N1Cc1ccc2c(c1)C[NH2+]CC2 ZINC000662304463 431040694 /nfs/dbraw/zinc/04/06/94/431040694.db2.gz JPIKLRAQVNCWCM-IBGZPJMESA-N 2 0 307.441 2.612 20 0 DFADRP Cn1cc(C[C@@H]2CCC[C@@H]2[NH2+]Cc2cccc3c2CC[NH2+]C3)cn1 ZINC000662310260 431041901 /nfs/dbraw/zinc/04/19/01/431041901.db2.gz IYZHJSNXGXNIDD-JXFKEZNVSA-N 2 0 324.472 2.567 20 0 DFADRP Cc1ccccc1NC(=O)C[N@H+]1CCC[C@@H](C)[C@H]1CCC[NH3+] ZINC000662312978 431042484 /nfs/dbraw/zinc/04/24/84/431042484.db2.gz DBRYEWYBVPARJK-NVXWUHKLSA-N 2 0 303.450 2.773 20 0 DFADRP Cc1cccc2nc(C[N@H+]3CCC[C@@H](C)[C@H]3CCC[NH3+])cn21 ZINC000662316770 431043182 /nfs/dbraw/zinc/04/31/82/431043182.db2.gz NJQVVDLHRGHBOA-RHSMWYFYSA-N 2 0 300.450 2.982 20 0 DFADRP C[C@@H](NC(=O)C[N@@H+]1CCC[C@@H](C)[C@H]1CCC[NH3+])c1cccs1 ZINC000662315855 431045013 /nfs/dbraw/zinc/04/50/13/431045013.db2.gz UFKUETCNSFUISW-RBSFLKMASA-N 2 0 323.506 2.765 20 0 DFADRP C[NH+](C)CCC[C@H]1C[N@H+](C[C@@H]2CCc3ccccc3C2)CCO1 ZINC000662325877 431048172 /nfs/dbraw/zinc/04/81/72/431048172.db2.gz RWYBDMRUTFLBCU-XLIONFOSSA-N 2 0 316.489 2.834 20 0 DFADRP CC(C)[NH+](CCNC(=O)[C@H]([NH3+])c1cccc(Cl)c1)C(C)C ZINC000649276845 431054542 /nfs/dbraw/zinc/05/45/42/431054542.db2.gz MCLYLCHWXSHOGJ-OAHLLOKOSA-N 2 0 311.857 2.575 20 0 DFADRP [NH3+][C@H](C(=O)NCCC[NH+]1CCCCCC1)c1cccc(Cl)c1 ZINC000649278648 431055385 /nfs/dbraw/zinc/05/53/85/431055385.db2.gz TVRQAAXRELFJGF-INIZCTEOSA-N 2 0 323.868 2.722 20 0 DFADRP CC(C)[NH2+]CC(=O)NCc1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000662386700 431070190 /nfs/dbraw/zinc/07/01/90/431070190.db2.gz FDZNSVKJMDWDBP-INIZCTEOSA-N 2 0 317.477 2.533 20 0 DFADRP CC[C@@H]([NH2+]C)C(=O)NC[C@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC000662382382 431066213 /nfs/dbraw/zinc/06/62/13/431066213.db2.gz JBRJJVDUFNNHGH-HZPDHXFCSA-N 2 0 323.868 2.591 20 0 DFADRP CCc1oc2ccccc2c1C[N@H+](C)C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662249155 431012526 /nfs/dbraw/zinc/01/25/26/431012526.db2.gz RAZYCKSSHONLDI-AWEZNQCLSA-N 2 0 314.429 2.948 20 0 DFADRP C[C@@H]1C[C@@H](c2ccc(F)cc2)C[N@@H+]1C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662254819 431015304 /nfs/dbraw/zinc/01/53/04/431015304.db2.gz ADWDZXGMKJDYLK-FRFSOERESA-N 2 0 304.409 2.525 20 0 DFADRP Cc1ccc([C@H]2CCC[N@@H+]2C[C@@H]2CCC3(C[NH2+]C3)O2)cc1C ZINC000662253836 431016224 /nfs/dbraw/zinc/01/62/24/431016224.db2.gz WZIZKQMHEJCNQF-ZWKOTPCHSA-N 2 0 300.446 2.961 20 0 DFADRP C[C@@H]1C[C@H](c2ccccc2F)[N@H+](C[C@@H]2CCC3(C[NH2+]C3)O2)C1 ZINC000662253978 431017219 /nfs/dbraw/zinc/01/72/19/431017219.db2.gz CTZCVLQARFBKDA-JKIFEVAISA-N 2 0 304.409 2.730 20 0 DFADRP Cc1ccccc1[C@@H]1C[C@H](C)[N@@H+](C[C@H]2CCC3(C[NH2+]C3)O2)C1 ZINC000662258045 431018202 /nfs/dbraw/zinc/01/82/02/431018202.db2.gz WHKYVLRIFQGJJM-GVDBMIGSSA-N 2 0 300.446 2.694 20 0 DFADRP Fc1ccccc1CC1CC[NH+](C[C@@H]2CCC3(C[NH2+]C3)O2)CC1 ZINC000662256538 431018686 /nfs/dbraw/zinc/01/86/86/431018686.db2.gz JDKZSJLUJSUPGC-KRWDZBQOSA-N 2 0 318.436 2.601 20 0 DFADRP C[NH+](C)Cc1ccc(NC2CC[NH+](C[C@H]3CCCO3)CC2)cc1 ZINC000655745126 431110504 /nfs/dbraw/zinc/11/05/04/431110504.db2.gz AYIWJODHVFASCP-LJQANCHMSA-N 2 0 317.477 2.804 20 0 DFADRP C[C@H]1CC[C@H](Nc2c[nH+]ccc2N2CC[NH+](C)CC2)CS1 ZINC000655749644 431112854 /nfs/dbraw/zinc/11/28/54/431112854.db2.gz VZDSJDVZWGKKTH-KBPBESRZSA-N 2 0 306.479 2.529 20 0 DFADRP [NH3+]CCCN(CC1CCCC1)C(=O)C[C@@H]1[NH2+]Cc2ccccc21 ZINC000662562189 431115798 /nfs/dbraw/zinc/11/57/98/431115798.db2.gz HCGFRUTWUKWESH-SFHVURJKSA-N 2 0 315.461 2.589 20 0 DFADRP CC(C)[C@H]([NH3+])CC(=O)NCC(C)(C)[NH2+][C@@H](C)c1ccccc1 ZINC000645927560 431115989 /nfs/dbraw/zinc/11/59/89/431115989.db2.gz SPUGYNZRLKEVSB-GOEBONIOSA-N 2 0 305.466 2.605 20 0 DFADRP CC[C@@H]([NH2+]C)C(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC000662400272 431071976 /nfs/dbraw/zinc/07/19/76/431071976.db2.gz PTXRVEZCFVGSHJ-QGZVFWFLSA-N 2 0 303.450 2.652 20 0 DFADRP CC[N@H+](C)Cc1cccc(CNC(=O)C[C@@H](C[NH3+])CC(C)C)c1 ZINC000662406370 431072963 /nfs/dbraw/zinc/07/29/63/431072963.db2.gz XOGQRCFOJKSSKK-SFHVURJKSA-N 2 0 319.493 2.766 20 0 DFADRP Cc1ccc([C@@H](CNC(=O)C[C@@H](C[NH3+])CC(C)C)[NH+](C)C)cc1 ZINC000662418954 431075036 /nfs/dbraw/zinc/07/50/36/431075036.db2.gz YVNMFTVEXXZCNW-FUHWJXTLSA-N 2 0 319.493 2.725 20 0 DFADRP CC[NH+](CC)Cc1ccc(C(=O)N2C[C@H](C[NH3+])[C@H](C)C[C@@H]2C)o1 ZINC000649369305 431077945 /nfs/dbraw/zinc/07/79/45/431077945.db2.gz JNFJWEPLRQPQRI-ILXRZTDVSA-N 2 0 321.465 2.567 20 0 DFADRP [NH3+]CC1(CC(=O)N2CCC([C@H]3CCC[NH2+]C3)CC2)CCCCC1 ZINC000662592167 431125345 /nfs/dbraw/zinc/12/53/45/431125345.db2.gz XSQIVOHMCVGBFG-KRWDZBQOSA-N 2 0 321.509 2.524 20 0 DFADRP CC(C)[C@@H]([NH3+])CCN(C)C(=O)c1ccc2c(c1)[C@@H](C[NH3+])CCC2 ZINC000662427858 431078958 /nfs/dbraw/zinc/07/89/58/431078958.db2.gz MDCUCJRGOVAZNY-AEFFLSMTSA-N 2 0 317.477 2.511 20 0 DFADRP C[NH+](C)CCc1ccc(NC(=O)c2cccc3c2C[NH2+]C3)cc1 ZINC000662442968 431081553 /nfs/dbraw/zinc/08/15/53/431081553.db2.gz XFLXUABOSJSRIT-UHFFFAOYSA-N 2 0 309.413 2.646 20 0 DFADRP C[C@@H]1CCCC[N@@H+]1CCC1CCN(C(=O)[C@@H]2CC[C@H]([NH3+])C2)CC1 ZINC000649378333 431081952 /nfs/dbraw/zinc/08/19/52/431081952.db2.gz YHWZNJLOHNNTLQ-NXHRZFHOSA-N 2 0 321.509 2.617 20 0 DFADRP C[C@@H]1CCCC[N@@H+]1CCC1CCN(C(=O)[C@@H]2CC[C@@H]([NH3+])C2)CC1 ZINC000649378331 431082654 /nfs/dbraw/zinc/08/26/54/431082654.db2.gz YHWZNJLOHNNTLQ-KBAYOESNSA-N 2 0 321.509 2.617 20 0 DFADRP c1csc(CCN2CC[NH+](CCCC3CC[NH2+]CC3)CC2)c1 ZINC000649411594 431094168 /nfs/dbraw/zinc/09/41/68/431094168.db2.gz JPTFLPCKGIDXGN-UHFFFAOYSA-N 2 0 321.534 2.688 20 0 DFADRP c1ccc(C[N@H+]2CCC[C@@]3(CCN(C[C@H]4CC[NH2+]C4)C3)C2)cc1 ZINC000649412909 431094253 /nfs/dbraw/zinc/09/42/53/431094253.db2.gz DAEPSCMQKVQDTH-VQTJNVASSA-N 2 0 313.489 2.584 20 0 DFADRP Cc1cnn(CC2CC[NH+](CCCC3CC[NH2+]CC3)CC2)c1 ZINC000649413060 431094289 /nfs/dbraw/zinc/09/42/89/431094289.db2.gz JTZNSCVRDXRQDF-UHFFFAOYSA-N 2 0 304.482 2.683 20 0 DFADRP Cc1noc(C)c1[C@@H](C)NC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000655714637 431094679 /nfs/dbraw/zinc/09/46/79/431094679.db2.gz BLCICOAWNAUJNT-WBMJQRKESA-N 2 0 307.438 2.585 20 0 DFADRP COc1c(C)cnc(C[N@@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)c1C ZINC000649417995 431096307 /nfs/dbraw/zinc/09/63/07/431096307.db2.gz TXRCBPOYIXRXEL-IRXDYDNUSA-N 2 0 317.477 2.919 20 0 DFADRP C[NH2+]Cc1cccc(NC(=O)NCCC[N@H+](C)CC(C)C)c1 ZINC000652610547 431100325 /nfs/dbraw/zinc/10/03/25/431100325.db2.gz CAOBBRZXRDXERI-UHFFFAOYSA-N 2 0 306.454 2.505 20 0 DFADRP CC(C)C[C@@H](CNC(=O)[C@H](C(C)C)[NH+]1CCCCC1)[NH+](C)C ZINC000358047352 278987658 /nfs/dbraw/zinc/98/76/58/278987658.db2.gz QQTKSTQOODLIJP-IRXDYDNUSA-N 2 0 311.514 2.589 20 0 DFADRP CC[N@H+](C)Cc1cccc(CNC(=O)C[NH+]2[C@H](C)CC[C@@H]2C)c1 ZINC000355410762 279040711 /nfs/dbraw/zinc/04/07/11/279040711.db2.gz KPQJWCSDRDEWPA-IYBDPMFKSA-N 2 0 317.477 2.627 20 0 DFADRP C[N@@H+]1CCC[C@@H]1CN1CC[NH+](Cc2ccccc2)C(C)(C)C1 ZINC000649509800 431134233 /nfs/dbraw/zinc/13/42/33/431134233.db2.gz HWMFIVMNWRYBOU-GOSISDBHSA-N 2 0 301.478 2.677 20 0 DFADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1[NH2+]C[C@@H](c1cccc(F)c1)N(C)C ZINC000133464393 288102913 /nfs/dbraw/zinc/10/29/13/288102913.db2.gz VVEHBQKUZZQMJP-NONVJHHQSA-N 2 0 307.457 2.747 20 0 DFADRP CC[NH+](CC)[C@@H](CNC(=O)[C@H]1CCCC[N@@H+]1CC)CC(C)C ZINC000353847289 279147434 /nfs/dbraw/zinc/14/74/34/279147434.db2.gz SZZFNUPSNBNJHF-IAGOWNOFSA-N 2 0 311.514 2.734 20 0 DFADRP C[C@H](CCNC(=O)CC[C@H]1CCC[NH2+]1)[N@H+](C)Cc1ccccc1 ZINC000292027392 279265365 /nfs/dbraw/zinc/26/53/65/279265365.db2.gz GIANHBNBZSKTTE-SJLPKXTDSA-N 2 0 317.477 2.545 20 0 DFADRP C[C@H](C[N@H+](C)[C@H]1CCN(C2CC[NH+](C)CC2)C1)c1ccccc1 ZINC000371425604 279284769 /nfs/dbraw/zinc/28/47/69/279284769.db2.gz TXHJRGJJUADSIC-XLIONFOSSA-N 2 0 315.505 2.890 20 0 DFADRP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@H]1CCc2cc(Cl)ccc21 ZINC000155098585 279313387 /nfs/dbraw/zinc/31/33/87/279313387.db2.gz RNBRRSIYGVZXKD-DYVFJYSZSA-N 2 0 307.869 2.553 20 0 DFADRP C[C@H](C[NH2+][C@H]1C[C@H](c2ccccc2)C1(C)C)N1CC[NH+](C)CC1 ZINC000123178351 279355133 /nfs/dbraw/zinc/35/51/33/279355133.db2.gz XJCGRNUQHNFQKY-QRQLOZEOSA-N 2 0 315.505 2.794 20 0 DFADRP CC1(C)CC[NH2+][C@@H]1C(=O)Nc1cccc(C[NH+]2CCCCC2)c1 ZINC000662683063 431162692 /nfs/dbraw/zinc/16/26/92/431162692.db2.gz MVFPRORNKUDVSY-QGZVFWFLSA-N 2 0 315.461 2.999 20 0 DFADRP C[C@@H]1C[C@H](C)C[N@@H+](CCN2CCC[C@@H]2C[NH+]2CCCCC2)C1 ZINC000659873224 431164225 /nfs/dbraw/zinc/16/42/25/431164225.db2.gz MHYONMRQTFBFNU-CEXWTWQISA-N 2 0 307.526 2.915 20 0 DFADRP C[C@H]([NH3+])c1ccc(C(=O)N[C@@H](C)C[NH+]2CCC(C)CC2)cc1 ZINC000662694013 431165241 /nfs/dbraw/zinc/16/52/41/431165241.db2.gz NODVEPDOLDFCDQ-GJZGRUSLSA-N 2 0 303.450 2.557 20 0 DFADRP CC[N@H+](CCC1CC[NH+](C[C@@H]2CCCN2C)CC1)CC1CC1 ZINC000649573052 431167976 /nfs/dbraw/zinc/16/79/76/431167976.db2.gz RGRLJWACYJDNQK-IBGZPJMESA-N 2 0 307.526 2.915 20 0 DFADRP C[N@@H+]1CCC[C@H](CNC(=O)CC2([NH3+])CCC2)[C@H]1c1cccs1 ZINC000646071309 431169474 /nfs/dbraw/zinc/16/94/74/431169474.db2.gz OUCZWOIKBNKDKJ-CJNGLKHVSA-N 2 0 321.490 2.519 20 0 DFADRP C[NH+](C)[C@H]1C[C@@H](C[NH2+]Cc2ccc(Br)s2)C1 ZINC000655826706 431171128 /nfs/dbraw/zinc/17/11/28/431171128.db2.gz XMDFVOHZVYICFD-AOOOYVTPSA-N 2 0 303.269 2.940 20 0 DFADRP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+]CCc1ncc(C)cc1C ZINC000655830387 431174425 /nfs/dbraw/zinc/17/44/25/431174425.db2.gz WJPJOCRIVQAKQE-UHFFFAOYSA-N 2 0 321.428 2.920 20 0 DFADRP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]C[C@@H]1CCCN1C ZINC000649585513 431174576 /nfs/dbraw/zinc/17/45/76/431174576.db2.gz YMLGIIJMSALUNF-KVPLUYHFSA-N 2 0 315.505 2.827 20 0 DFADRP CCN(C[C@@H]1CCC[N@@H+]1C)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000649585840 431174681 /nfs/dbraw/zinc/17/46/81/431174681.db2.gz HZZKWCXXCAMTQQ-OALUTQOASA-N 2 0 301.478 2.677 20 0 DFADRP CC[C@@H]1CN(C[C@H]2CCC[N@@H+]2C)CC[NH+]1Cc1ccccc1 ZINC000649586105 431176193 /nfs/dbraw/zinc/17/61/93/431176193.db2.gz SBDCNGUQKXQYTB-RTBURBONSA-N 2 0 301.478 2.677 20 0 DFADRP CC[C@H]1CN(C[C@H]2CCC[N@@H+]2C)CC[NH+]1Cc1ccccc1 ZINC000649586104 431176389 /nfs/dbraw/zinc/17/63/89/431176389.db2.gz SBDCNGUQKXQYTB-RBUKOAKNSA-N 2 0 301.478 2.677 20 0 DFADRP C[C@H](O)C[N@H+](C)C1CC[NH+](CC[C@@H]2CCc3ccccc32)CC1 ZINC000659897597 431177671 /nfs/dbraw/zinc/17/76/71/431177671.db2.gz YKXPRKYJYZCOOI-WMZOPIPTSA-N 2 0 316.489 2.884 20 0 DFADRP COc1cccc2c1OCC[C@@H]2[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@@H]21 ZINC000655851600 431187018 /nfs/dbraw/zinc/18/70/18/431187018.db2.gz ZIBPASFQNQGMCM-SIXLDLHFSA-N 2 0 316.445 2.981 20 0 DFADRP Cc1cc(C)c(C[N@@H+]2CCOC3(CC[NH+](C)CC3)C2)c(C)c1 ZINC000646104710 431186978 /nfs/dbraw/zinc/18/69/78/431186978.db2.gz UOBYKBSWCZAMPK-UHFFFAOYSA-N 2 0 302.462 2.908 20 0 DFADRP C[NH+]1CCC2(CC1)C[N@H+](CCSc1ccccc1F)CCO2 ZINC000646103290 431188530 /nfs/dbraw/zinc/18/85/30/431188530.db2.gz AOWQIENHEILNLG-UHFFFAOYSA-N 2 0 324.465 2.714 20 0 DFADRP C[NH+]1CCC2(CC1)C[N@H+](CCSc1ccc(F)cc1)CCO2 ZINC000646103789 431189000 /nfs/dbraw/zinc/18/90/00/431189000.db2.gz OPVXWORTWRCCLE-UHFFFAOYSA-N 2 0 324.465 2.714 20 0 DFADRP Cc1ccc(C[NH+]2CC[C@H](C[N@@H+](C)C[C@H](O)C(C)C)C2)s1 ZINC000649603425 431189937 /nfs/dbraw/zinc/18/99/37/431189937.db2.gz MALNQVFUCZEVBT-WBVHZDCISA-N 2 0 310.507 2.827 20 0 DFADRP Cc1ccccc1C[C@H]1CCC[NH+]1C[C@@H](O)C[N@@H+](C)C(C)C ZINC000659931525 431194666 /nfs/dbraw/zinc/19/46/66/431194666.db2.gz OWKMXPJUDXRTTO-MOPGFXCFSA-N 2 0 304.478 2.703 20 0 DFADRP C[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCCN(C(=O)C2([NH3+])CC3(CCC3)C2)C1 ZINC000662788614 431195234 /nfs/dbraw/zinc/19/52/34/431195234.db2.gz PDBBXZINXNPYAW-OWCLPIDISA-N 2 0 319.493 2.512 20 0 DFADRP C[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCCN(C(=O)C2([NH2+]C3CC3)CCC2)C1 ZINC000662787754 431196355 /nfs/dbraw/zinc/19/63/55/431196355.db2.gz FEDUDCWHWWKHCM-HLLBOEOZSA-N 2 0 319.493 2.525 20 0 DFADRP CC[NH+](CC)[C@H](CNC(=O)CC1([NH3+])CC1)c1ccccc1Cl ZINC000662664214 431154738 /nfs/dbraw/zinc/15/47/38/431154738.db2.gz ULZSELQIGMOYAP-OAHLLOKOSA-N 2 0 323.868 2.721 20 0 DFADRP CCc1ccccc1NC(=O)C[C@@H](C)[NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000655805121 431155121 /nfs/dbraw/zinc/15/51/21/431155121.db2.gz CQOSBDSHJLREGK-INMHGKMJSA-N 2 0 317.477 2.896 20 0 DFADRP C[C@@H]([NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1)c1ccc(Br)cn1 ZINC000655803477 431155159 /nfs/dbraw/zinc/15/51/59/431155159.db2.gz QNPQGOQUUKHGCT-WZRBSPASSA-N 2 0 312.255 2.835 20 0 DFADRP C[NH2+][C@@H](CC(C)(C)C)C(=O)N[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000662667418 431157491 /nfs/dbraw/zinc/15/74/91/431157491.db2.gz AAJXHNIHYQBZJG-HOCLYGCPSA-N 2 0 309.498 2.534 20 0 DFADRP CC1CC[NH+](C[C@@H]2CCC[N@H+](C[C@H]3CCC[C@H](O)C3)C2)CC1 ZINC000659865819 431157882 /nfs/dbraw/zinc/15/78/82/431157882.db2.gz QJQSEFVMZWIRLL-FHWLQOOXSA-N 2 0 308.510 2.981 20 0 DFADRP C[C@H]1CN(Cc2ccccc2)CC[C@H]1[NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000655805579 431158329 /nfs/dbraw/zinc/15/83/29/431158329.db2.gz JESCUEJUCNWIDU-IJXRJRJASA-N 2 0 315.505 2.827 20 0 DFADRP C[C@H]([NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1)c1ncc(Br)s1 ZINC000655805414 431158856 /nfs/dbraw/zinc/15/88/56/431158856.db2.gz NKXXYBSWNATYJC-LPEHRKFASA-N 2 0 318.284 2.896 20 0 DFADRP CC(C)[C@H](CNC(=O)C1([NH2+]C2CC2)CCC1)[NH+]1CCC(C)CC1 ZINC000662679925 431159135 /nfs/dbraw/zinc/15/91/35/431159135.db2.gz RSPONPJISJFFNB-KRWDZBQOSA-N 2 0 321.509 2.534 20 0 DFADRP C[C@@H]1CCCC[N@@H+]1Cc1ccc(NC(=O)[C@H]2C[C@H]([NH3+])C2)cc1 ZINC000662676632 431159981 /nfs/dbraw/zinc/15/99/81/431159981.db2.gz ZTIFVFGGLVTENQ-FVQBIDKESA-N 2 0 301.434 2.737 20 0 DFADRP C[C@@H]1CCCC[N@@H+]1Cc1ccc(NC(=O)CC2([NH3+])CC2)cc1 ZINC000662674996 431159993 /nfs/dbraw/zinc/15/99/93/431159993.db2.gz IIPSIYZMIJEZOT-CQSZACIVSA-N 2 0 301.434 2.881 20 0 DFADRP C[C@@H]1CCCC[N@@H+]1CCC1CCN(C(=O)[C@@H]2CCC[C@@H]2[NH3+])CC1 ZINC000662824095 431205756 /nfs/dbraw/zinc/20/57/56/431205756.db2.gz AXNJWSNLWJAHBV-NXHRZFHOSA-N 2 0 321.509 2.617 20 0 DFADRP C[NH2+]Cc1cccc(NC(=O)N[C@H]2CCC[N@@H+]3CCCC[C@@H]23)c1 ZINC000655907680 431214480 /nfs/dbraw/zinc/21/44/80/431214480.db2.gz MDJQYBKNKGKIEG-IRXDYDNUSA-N 2 0 316.449 2.544 20 0 DFADRP C[C@H]1C[C@H](C)C[NH+](CCN2CC[N@H+](C)CC23CCCCC3)C1 ZINC000659987602 431222741 /nfs/dbraw/zinc/22/27/41/431222741.db2.gz AYEALEWBELRNNI-ROUUACIJSA-N 2 0 307.526 2.915 20 0 DFADRP CCc1csc(CC2CC[NH+](CC[C@H]3CC[NH2+]C3)CC2)n1 ZINC000655948096 431227348 /nfs/dbraw/zinc/22/73/48/431227348.db2.gz XZHXBYNFDRXREU-OAHLLOKOSA-N 2 0 307.507 2.960 20 0 DFADRP [NH3+]CCCOC1CC[NH+](CCCc2c(F)cccc2F)CC1 ZINC000655938111 431227620 /nfs/dbraw/zinc/22/76/20/431227620.db2.gz NDXFVEARQNIZJZ-UHFFFAOYSA-N 2 0 312.404 2.727 20 0 DFADRP CO[C@H](C[NH+]1CCN(c2cc[nH+]cc2)CC1)C1CCCCC1 ZINC000660002894 431231606 /nfs/dbraw/zinc/23/16/06/431231606.db2.gz BUVNBQRUQZYZQN-GOSISDBHSA-N 2 0 303.450 2.799 20 0 DFADRP CC[NH+](CC)[C@@H](CNC(=O)[C@@H]1CCC[NH2+]CC1)c1ccccc1 ZINC000653043214 431239762 /nfs/dbraw/zinc/23/97/62/431239762.db2.gz HYUHCLLZRKHDIX-MSOLQXFVSA-N 2 0 317.477 2.575 20 0 DFADRP C[NH+](C)CC[C@H](N)C(=O)Nc1ccccc1Oc1ccccc1 ZINC000653057958 431248363 /nfs/dbraw/zinc/24/83/63/431248363.db2.gz YFJPBXVCBIYWRT-HNNXBMFYSA-N 2 0 313.401 2.696 20 0 DFADRP C[N@@H+](Cc1ccc(C[NH+]2CCCCC2)cc1)C[C@@H](O)C1CC1 ZINC000663076512 431280554 /nfs/dbraw/zinc/28/05/54/431280554.db2.gz BFJDBNAQQMOLTC-LJQANCHMSA-N 2 0 302.462 2.875 20 0 DFADRP [NH3+][C@@H]1CCCCCC[C@@H]1C(=O)N1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000646385041 431291545 /nfs/dbraw/zinc/29/15/45/431291545.db2.gz VNRVEZJNTULXKJ-XWTMOSNGSA-N 2 0 321.509 2.522 20 0 DFADRP C[C@H]1C[N@@H+]([C@@H]2C[C@@H]2c2ccccc2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000660154159 431292857 /nfs/dbraw/zinc/29/28/57/431292857.db2.gz JIDJWBGVDUFDBL-OJAHFUOMSA-N 2 0 313.489 2.500 20 0 DFADRP CC(C)[N@H+](C)C[C@H](O)CN1[C@H](C)c2ccc(F)cc2C[C@@H]1C ZINC000660165181 431296517 /nfs/dbraw/zinc/29/65/17/431296517.db2.gz UQYRHLSKWYQDTD-VBQJREDUSA-N 2 0 308.441 2.834 20 0 DFADRP CCC[NH2+][C@@H](C)C(=O)N[C@H](C[NH+]1CCCCC1)c1ccccc1 ZINC000646408827 431300547 /nfs/dbraw/zinc/30/05/47/431300547.db2.gz LRFJNOFXLUASIA-FUHWJXTLSA-N 2 0 317.477 2.718 20 0 DFADRP CC[N@H+](CCCNC(=O)[C@@H]1CCC[NH2+]CC1)C1CCCCC1 ZINC000653199557 431303611 /nfs/dbraw/zinc/30/36/11/431303611.db2.gz JMGPUPWBAPBUQL-MRXNPFEDSA-N 2 0 309.498 2.537 20 0 DFADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+][C@H]1CCCN2CCCC[C@H]12 ZINC000656201587 431304850 /nfs/dbraw/zinc/30/48/50/431304850.db2.gz SCGMUHIEGCMZNI-JCGIZDLHSA-N 2 0 302.466 2.516 20 0 DFADRP C[C@H]([NH2+][C@H]1CCC[C@@H]([NH3+])C1)c1ccc(NC(=O)C2CC2)cc1 ZINC000656196918 431306495 /nfs/dbraw/zinc/30/64/95/431306495.db2.gz VWABQPJKOWUPLI-MJEQTWJJSA-N 2 0 301.434 2.956 20 0 DFADRP C[C@@H]1C[C@@H](C[NH+]2CCC(CC(=O)NC3CCCC3)CC2)CC[NH2+]1 ZINC000666633525 431306925 /nfs/dbraw/zinc/30/69/25/431306925.db2.gz IEFQNTDGHLZYEE-WBVHZDCISA-N 2 0 321.509 2.535 20 0 DFADRP C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)c1ccccc1CC[NH3+] ZINC000653110917 431270514 /nfs/dbraw/zinc/27/05/14/431270514.db2.gz YQBWXBMZUGNSMX-MRXNPFEDSA-N 2 0 317.477 2.572 20 0 DFADRP CCOCCC[N@@H+]1CC[C@@H](NCc2nc(C)oc2C)[C@@H](C)C1 ZINC000660303947 431368846 /nfs/dbraw/zinc/36/88/46/431368846.db2.gz AAXNZCHNSPHSKO-XJKSGUPXSA-N 2 0 309.454 2.518 20 0 DFADRP [NH3+]C1C[C@H]2CCC[C@@H](C1)C2[NH2+]Cc1cn2cc(Cl)ccc2n1 ZINC000666820841 431371276 /nfs/dbraw/zinc/37/12/76/431371276.db2.gz NKIWPQYBXIHQCV-ZKHDCCDFSA-N 2 0 318.852 2.983 20 0 DFADRP CC[NH+](CC)Cc1ccc(C(=O)N2CCC[C@@H](C)[C@H]2CC[NH3+])o1 ZINC000653240974 431329358 /nfs/dbraw/zinc/32/93/58/431329358.db2.gz WEILCIPUHJYBPY-GDBMZVCRSA-N 2 0 321.465 2.711 20 0 DFADRP C(CC1CC[NH+](C[C@@H]2C[C@H]3C[C@H]3C2)CC1)C[NH+]1CCOCC1 ZINC000660234194 431331152 /nfs/dbraw/zinc/33/11/52/431331152.db2.gz UTAMMGLDGOYFNL-REPLKXPHSA-N 2 0 306.494 2.857 20 0 DFADRP CC(C)(C[NH3+])C(=O)Nc1ccc(SCC[NH+]2CCCC2)cc1 ZINC000653253397 431336006 /nfs/dbraw/zinc/33/60/06/431336006.db2.gz SKOURVLGHZLFFX-UHFFFAOYSA-N 2 0 321.490 2.798 20 0 DFADRP [NH3+]CCC1CCN(C(=O)CC[C@H]([NH3+])CC2CCCCC2)CC1 ZINC000653256255 431336227 /nfs/dbraw/zinc/33/62/27/431336227.db2.gz COOIXCBWBIAWBW-KRWDZBQOSA-N 2 0 309.498 2.652 20 0 DFADRP O=C(Nc1ccc(SCC[NH+]2CCCC2)cc1)[C@H]1CCC[NH2+]1 ZINC000653253141 431336235 /nfs/dbraw/zinc/33/62/35/431336235.db2.gz IBPNCFCWGZWSPL-MRXNPFEDSA-N 2 0 319.474 2.565 20 0 DFADRP [NH3+]C[C@@H]1CCC[C@H]1[NH2+]Cc1cnn(Cc2ccccc2Cl)c1 ZINC000666744012 431345115 /nfs/dbraw/zinc/34/51/15/431345115.db2.gz PZIFUNIGJOLXNB-WMLDXEAASA-N 2 0 318.852 2.802 20 0 DFADRP COc1cc(CN[C@@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)sn1 ZINC000660257898 431346272 /nfs/dbraw/zinc/34/62/72/431346272.db2.gz XQLVLLFBGAVJLQ-STQMWFEESA-N 2 0 309.479 2.894 20 0 DFADRP COc1ccc(CC[C@H](C)[NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)cc1O ZINC000656268633 431346441 /nfs/dbraw/zinc/34/64/41/431346441.db2.gz FRWJAYVTTBLXDU-CWRNSKLLSA-N 2 0 306.450 2.652 20 0 DFADRP C[C@@H](NCC[C@@H]1CCCC[N@@H+]1C)c1nnc2n1CCCCC2 ZINC000660260426 431347624 /nfs/dbraw/zinc/34/76/24/431347624.db2.gz WRAICMGCIHCVAF-CABCVRRESA-N 2 0 305.470 2.530 20 0 DFADRP Cn1cc(C[NH2+]C[C@@H]2CCC[NH2+]C2)c(-c2cc3ccccc3o2)n1 ZINC000666763685 431348550 /nfs/dbraw/zinc/34/85/50/431348550.db2.gz QACKJXYLPBUWET-CQSZACIVSA-N 2 0 324.428 2.923 20 0 DFADRP Cc1cccc(NC(=O)C[C@@H](C)NC[C@@H]2CCCC[NH2+]2)c1C ZINC000666770398 431351243 /nfs/dbraw/zinc/35/12/43/431351243.db2.gz YLGNIQONHQTSFG-ZBFHGGJFSA-N 2 0 303.450 2.752 20 0 DFADRP C[C@@H]([NH3+])CC[NH2+][C@@H](C)CC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000666775765 431353294 /nfs/dbraw/zinc/35/32/94/431353294.db2.gz LWLVFABWVODZAJ-MNOVXSKESA-N 2 0 317.355 2.749 20 0 DFADRP Cc1nn2c(C[NH2+]CC[C@@H]3CCC[NH2+]C3)c(C(C)C)nc2s1 ZINC000666792242 431359497 /nfs/dbraw/zinc/35/94/97/431359497.db2.gz XEMQOSNDTFJMEA-ZDUSSCGKSA-N 2 0 321.494 2.702 20 0 DFADRP C[NH+](C)[C@@H]1CCC[N@H+](C[C@@H]2CCCN(C(=O)C(C)(C)C)C2)CC1 ZINC000660416393 431420329 /nfs/dbraw/zinc/42/03/29/431420329.db2.gz QVMNNFDVXQJOLZ-DLBZAZTESA-N 2 0 323.525 2.687 20 0 DFADRP F[C@@H]1C[NH2+][C@H](CNCc2c[nH]nc2-c2cccc(Cl)c2)C1 ZINC000666945526 431420378 /nfs/dbraw/zinc/42/03/78/431420378.db2.gz VLYKWIFHIHMBQA-KBPBESRZSA-N 2 0 308.788 2.520 20 0 DFADRP Fc1cccc(Br)c1C[NH2+][C@@H]1CC12CC[NH2+]CC2 ZINC000666953733 431422367 /nfs/dbraw/zinc/42/23/67/431422367.db2.gz GLJCHAUSHMYINJ-CYBMUJFWSA-N 2 0 313.214 2.820 20 0 DFADRP c1ccc(N2CC[C@@H]([NH2+]C[C@H]3CCC[N@H+](CC4CC4)C3)C2)cc1 ZINC000663347159 431375443 /nfs/dbraw/zinc/37/54/43/431375443.db2.gz ZWHHUWFBZKZTHO-RTBURBONSA-N 2 0 313.489 2.977 20 0 DFADRP c1cc2c(cc1C[NH2+]C[C@@H]1CCC[N@H+](CC3CC3)C1)OCCO2 ZINC000663347289 431375574 /nfs/dbraw/zinc/37/55/74/431375574.db2.gz JBVYFUQSRHSYQT-KRWDZBQOSA-N 2 0 316.445 2.669 20 0 DFADRP Cc1cc[nH+]c(NC[C@@H]2CC[N@H+](Cc3cnc(C4CC4)nc3)C2)c1 ZINC000656430731 431379716 /nfs/dbraw/zinc/37/97/16/431379716.db2.gz SXJUJWFOHRWYIG-HNNXBMFYSA-N 2 0 323.444 2.991 20 0 DFADRP C[N@H+](Cc1ccccc1)CC(C)(C)CN[C@@H]1CCC[NH2+]CC1 ZINC000666855433 431387245 /nfs/dbraw/zinc/38/72/45/431387245.db2.gz RHFYQXYDHXHOLI-GOSISDBHSA-N 2 0 303.494 2.876 20 0 DFADRP CN(C(=O)CC[NH2+]CCCC[N@H+](C)C1CC1)c1ccccc1 ZINC000663373356 431392203 /nfs/dbraw/zinc/39/22/03/431392203.db2.gz BCHXSJXXESUMPV-UHFFFAOYSA-N 2 0 303.450 2.504 20 0 DFADRP CC[NH+](CC)Cc1ccc(C(=O)N(C)CC[C@H]([NH3+])C(C)C)o1 ZINC000646824713 431400983 /nfs/dbraw/zinc/40/09/83/431400983.db2.gz QCBBRRVJFRQQOU-HNNXBMFYSA-N 2 0 309.454 2.567 20 0 DFADRP C[NH+]1CCN(C(C)(C)C[NH2+]C2CC(C)(c3ccccc3)C2)CC1 ZINC000656474866 431402830 /nfs/dbraw/zinc/40/28/30/431402830.db2.gz QEIOXFLGHQHEHX-UHFFFAOYSA-N 2 0 315.505 2.722 20 0 DFADRP Cc1cccc2c(NCCC[NH+]3CCC(O)CC3)c(C)c[nH+]c12 ZINC000663403001 431407060 /nfs/dbraw/zinc/40/70/60/431407060.db2.gz QGVFCWKDGSSOIK-UHFFFAOYSA-N 2 0 313.445 2.532 20 0 DFADRP C[C@H]1C[NH+](CCCC[NH2+]Cc2ccc3c(n2)CCC3)C[C@H](C)O1 ZINC000656493470 431408956 /nfs/dbraw/zinc/40/89/56/431408956.db2.gz CEYGMTDBFLVVOS-HOTGVXAUSA-N 2 0 317.477 2.549 20 0 DFADRP C[NH+]1CCC(N2CC[C@H]([NH2+]Cc3ccc(C4CC4)cc3)C2)CC1 ZINC000656499044 431410589 /nfs/dbraw/zinc/41/05/89/431410589.db2.gz FUJKWQBHWDYYHB-IBGZPJMESA-N 2 0 313.489 2.822 20 0 DFADRP CC(C)(CCC[NH3+])[NH2+]Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000666934069 431411487 /nfs/dbraw/zinc/41/14/87/431411487.db2.gz LNIYPODVUXOSLW-UHFFFAOYSA-N 3 0 319.493 2.768 20 0 DFADRP Cn1cc(C[NH2+][C@@H]2CC[NH2+]C3(CCC3)C2)c(-c2cccs2)n1 ZINC000666997015 431438389 /nfs/dbraw/zinc/43/83/89/431438389.db2.gz RDTPTBQXDGJUSW-CQSZACIVSA-N 2 0 316.474 2.913 20 0 DFADRP Cc1c[nH+]ccc1N1CCC(c2nc([C@@H]3CCC[NH2+]3)no2)CC1 ZINC000647148244 431480402 /nfs/dbraw/zinc/48/04/02/431480402.db2.gz KACXATDNLVFRHH-AWEZNQCLSA-N 2 0 313.405 2.582 20 0 DFADRP C[C@@H]1C[NH2+]CC[C@@H]1CN1CC[NH2+]C[C@H]1c1cccc(Cl)c1 ZINC000663494020 431442489 /nfs/dbraw/zinc/44/24/89/431442489.db2.gz KKPXUWQKYQVNFI-UNEWFSDZSA-N 2 0 307.869 2.532 20 0 DFADRP C[NH+](C)Cc1c2ccccc2oc1-c1nc([C@H]2CCC[NH2+]2)no1 ZINC000647149074 431480485 /nfs/dbraw/zinc/48/04/85/431480485.db2.gz DAQHSUSLXQESBJ-CYBMUJFWSA-N 2 0 312.373 2.969 20 0 DFADRP C[NH2+]CCCC(=O)N1CCC([NH2+][C@@H](C)C2CCCCC2)CC1 ZINC000663505291 431447554 /nfs/dbraw/zinc/44/75/54/431447554.db2.gz HATGVDNKSQEKPJ-HNNXBMFYSA-N 2 0 309.498 2.535 20 0 DFADRP C[NH2+]CCCC(=O)N1CCC([NH2+][C@@H]2CCCC[C@@H]2C2CC2)CC1 ZINC000663506141 431448745 /nfs/dbraw/zinc/44/87/45/431448745.db2.gz QOLWAXWYACHFOE-QZTJIDSGSA-N 2 0 321.509 2.535 20 0 DFADRP C[NH2+]CCCN(C)Cc1cnn(Cc2ccccc2Cl)c1 ZINC000667055314 431462135 /nfs/dbraw/zinc/46/21/35/431462135.db2.gz YJTHZNWVVHYSTP-UHFFFAOYSA-N 2 0 306.841 2.626 20 0 DFADRP CC(C)(C)[N@@H+]1CC[C@@H](CNC(=O)Nc2ccn3ccnc3c2)C1 ZINC000666975142 431431020 /nfs/dbraw/zinc/43/10/20/431431020.db2.gz ITVIZBIGKSZLDT-ZDUSSCGKSA-N 2 0 315.421 2.576 20 0 DFADRP COc1cccc(-c2n[nH]cc2C[N@@H+]2C[C@@H](C)[C@](C)(C[NH3+])C2)c1 ZINC000666983179 431434404 /nfs/dbraw/zinc/43/44/04/431434404.db2.gz YEFLNWHITZADEG-FZKQIMNGSA-N 2 0 314.433 2.502 20 0 DFADRP COc1ccc(C[N@@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)c(OC)c1 ZINC000656783874 431518962 /nfs/dbraw/zinc/51/89/62/431518962.db2.gz AYIOXJZMYAUWSX-MRXNPFEDSA-N 2 0 318.461 2.915 20 0 DFADRP CCOc1cccc(C[N@@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)n1 ZINC000656784569 431519491 /nfs/dbraw/zinc/51/94/91/431519491.db2.gz FMEFMVYJKPMSDY-MRXNPFEDSA-N 2 0 303.450 2.692 20 0 DFADRP COc1ccc(OC)c(C[N@@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)c1 ZINC000656786214 431521660 /nfs/dbraw/zinc/52/16/60/431521660.db2.gz PTVGVLPJQCWFNG-MRXNPFEDSA-N 2 0 318.461 2.915 20 0 DFADRP CC(C)(C)n1cc(C[N@@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)cn1 ZINC000656785540 431522109 /nfs/dbraw/zinc/52/21/09/431522109.db2.gz LSQRHIVFMGNCHY-KRWDZBQOSA-N 2 0 304.482 2.850 20 0 DFADRP COc1ccc(C[NH+]2CCC([C@@H]3CCC[NH2+]C3)CC2)cc1O ZINC000656785535 431522134 /nfs/dbraw/zinc/52/21/34/431522134.db2.gz LMQXZIGJXBQKKB-MRXNPFEDSA-N 2 0 304.434 2.612 20 0 DFADRP C(c1nc2c(s1)CCC2)[NH+]1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000656787136 431522194 /nfs/dbraw/zinc/52/21/94/431522194.db2.gz UVBZGHHAJSMKSO-AWEZNQCLSA-N 2 0 305.491 2.843 20 0 DFADRP c1cc(C[NH+]2CCC([C@H]3CCC[NH2+]C3)CC2)cc2c1OCC2 ZINC000656786422 431522467 /nfs/dbraw/zinc/52/24/67/431522467.db2.gz SHHDBRZUXQURRN-SFHVURJKSA-N 2 0 300.446 2.833 20 0 DFADRP Cc1nc2ccccn2c1C[NH+]1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000656786428 431522705 /nfs/dbraw/zinc/52/27/05/431522705.db2.gz SMQHGVYVKXNSOT-KRWDZBQOSA-N 2 0 312.461 2.854 20 0 DFADRP CC(C)[N@H+](C)C[C@@H](O)CN1CC[C@H](c2cccc(Cl)c2)C1 ZINC000660632480 431523090 /nfs/dbraw/zinc/52/30/90/431523090.db2.gz OORMIFJMQNMAKF-DOTOQJQBSA-N 2 0 310.869 2.830 20 0 DFADRP Cn1c2ccccc2nc1C[NH+]1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000656786201 431523417 /nfs/dbraw/zinc/52/34/17/431523417.db2.gz POTMJRHLOSSWBI-INIZCTEOSA-N 2 0 312.461 2.785 20 0 DFADRP Cc1nn(C(C)C)cc1C[NH+]1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000656785415 431523862 /nfs/dbraw/zinc/52/38/62/431523862.db2.gz HDGMKAJSSAFFBO-KRWDZBQOSA-N 2 0 304.482 2.984 20 0 DFADRP c1cc([C@@H]2C[NH2+]CCO2)ccc1N[C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000656793236 431525471 /nfs/dbraw/zinc/52/54/71/431525471.db2.gz RKPLZODTQYPELF-OKYOBFRVSA-N 2 0 315.461 2.680 20 0 DFADRP C[C@H](C(=O)N1[C@H](C)CCC[C@@H]1C)N1CCC[C@]2(CC[N@H+](C)C2)C1 ZINC000660651493 431528398 /nfs/dbraw/zinc/52/83/98/431528398.db2.gz AMMNRYRRJTUBAA-SFNKJDCFSA-N 2 0 321.509 2.582 20 0 DFADRP COc1ccc(OCCC[N@@H+]2CCC[C@@]3(CC[NH+](C)C3)C2)cc1 ZINC000660657627 431531713 /nfs/dbraw/zinc/53/17/13/431531713.db2.gz YWAMVOQNORQKMR-IBGZPJMESA-N 2 0 318.461 2.882 20 0 DFADRP Cc1ccc(-c2nn(C)cc2C[NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)o1 ZINC000647186453 431501581 /nfs/dbraw/zinc/50/15/81/431501581.db2.gz MWJQAYGBRINSQV-DOMZBBRYSA-N 2 0 302.422 2.561 20 0 DFADRP OCC1([NH2+][C@H]2CCN(Cc3ccccc3)C3(CC3)C2)CCC1 ZINC000647193345 431505205 /nfs/dbraw/zinc/50/52/05/431505205.db2.gz VSCXEIKMLQOTLY-KRWDZBQOSA-N 2 0 300.446 2.688 20 0 DFADRP C[C@@H]1C[C@H](C)C[N@@H+](CCN2CC[NH+](C3CCC3)C[C@H](C)C2)C1 ZINC000660613571 431514754 /nfs/dbraw/zinc/51/47/54/431514754.db2.gz OVXGWLUWNHLCAM-FGTMMUONSA-N 2 0 307.526 2.771 20 0 DFADRP Cn1c2ccccc2nc1CC[N@@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC000660658832 431534840 /nfs/dbraw/zinc/53/48/40/431534840.db2.gz HTEVRNUWKNJGNB-LJQANCHMSA-N 2 0 312.461 2.534 20 0 DFADRP CC[NH+](CCCNC(=O)C[N@@H+](CC)C1CC1)C1CCCCC1 ZINC000650372935 431540144 /nfs/dbraw/zinc/54/01/44/431540144.db2.gz GBZPGHURZLMXMV-UHFFFAOYSA-N 2 0 309.498 2.632 20 0 DFADRP CC(C)[NH2+]C1(CO)CC[NH+](CC[C@H]2CCc3ccccc32)CC1 ZINC000660676432 431544720 /nfs/dbraw/zinc/54/47/20/431544720.db2.gz JNRSGMCSMSUIIW-GOSISDBHSA-N 2 0 316.489 2.931 20 0 DFADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]C[C@H]1CSc2ccccc2O1 ZINC000647314072 431547448 /nfs/dbraw/zinc/54/74/48/431547448.db2.gz MIPRQUQGLSCNGW-KBXIAJHMSA-N 2 0 306.475 2.858 20 0 DFADRP C[C@H]1C[C@H](NC[C@@H](c2ccco2)[NH+]2CCCCC2)CC[N@@H+]1C ZINC000154004475 280010507 /nfs/dbraw/zinc/01/05/07/280010507.db2.gz JLVJKFPHXHJOFG-BBWFWOEESA-N 2 0 305.466 2.879 20 0 DFADRP CCC[NH+]1CCC([NH2+]CCc2cn3c(cccc3C)n2)CC1 ZINC000647364789 431565201 /nfs/dbraw/zinc/56/52/01/431565201.db2.gz MMDACJXSMYTLCH-UHFFFAOYSA-N 2 0 300.450 2.649 20 0 DFADRP CC[N@@H+]1CC[C@H]([NH2+]CCc2cn3c(cccc3C)n2)[C@H](C)C1 ZINC000647364998 431565630 /nfs/dbraw/zinc/56/56/30/431565630.db2.gz VVORENISMLHGEZ-PBHICJAKSA-N 2 0 300.450 2.505 20 0 DFADRP C[C@H]1OCC[C@H]1[NH2+]Cc1ccccc1C[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000178681581 280067952 /nfs/dbraw/zinc/06/79/52/280067952.db2.gz CMQIARNFGCQDIQ-YIOZNXECSA-N 2 0 318.461 2.563 20 0 DFADRP O=C(NC1CC1)c1ccc(C[NH2+]Cc2ccc3c[nH+]cn3c2)cc1 ZINC000656985026 431572954 /nfs/dbraw/zinc/57/29/54/431572954.db2.gz JCWROFKKRFRLAR-UHFFFAOYSA-N 2 0 320.396 2.516 20 0 DFADRP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)c1ccc(C[NH+](C)C)cc1 ZINC000113198565 280254276 /nfs/dbraw/zinc/25/42/76/280254276.db2.gz SJBHVVPRAGFABJ-GOSISDBHSA-N 2 0 317.477 2.743 20 0 DFADRP CC(C)[C@H]([NH2+]CC1(O)CC[NH+](C)CC1)c1ccc(F)c(F)c1 ZINC000272738143 280324973 /nfs/dbraw/zinc/32/49/73/280324973.db2.gz KKOUZDBHCNUJAU-INIZCTEOSA-N 2 0 312.404 2.708 20 0 DFADRP CC[C@H]1C[N@H+](Cc2ccc(C)cc2-c2ccnn2C)CC[C@@H]1[NH3+] ZINC000647497759 431604775 /nfs/dbraw/zinc/60/47/75/431604775.db2.gz UDYAOCBVLVTWGF-YJBOKZPZSA-N 2 0 312.461 2.955 20 0 DFADRP CCOc1cccc(C[N@@H+]2CCC[C@H]([C@H]3C[C@@H]([NH3+])CCO3)C2)c1 ZINC000650705754 431654278 /nfs/dbraw/zinc/65/42/78/431654278.db2.gz UKTKFFIXKVVKQS-JENIJYKNSA-N 2 0 318.461 2.804 20 0 DFADRP CCOc1ccccc1C[N@@H+]1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000650705344 431654404 /nfs/dbraw/zinc/65/44/04/431654404.db2.gz FAMTZQJDZUXREV-LNLFQRSKSA-N 2 0 318.461 2.804 20 0 DFADRP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCC[N@H+](Cc3scnc3C3CC3)C2)C1 ZINC000650707745 431654921 /nfs/dbraw/zinc/65/49/21/431654921.db2.gz MGLRRVKRLOKGBG-RRFJBIMHSA-N 2 0 321.490 2.739 20 0 DFADRP [NH3+][C@@H]1CCO[C@H]([C@H]2CCC[N@H+](Cc3ccc(F)c(F)c3)C2)C1 ZINC000650705869 431655106 /nfs/dbraw/zinc/65/51/06/431655106.db2.gz ZFTOOUFLHNBGAE-VBQJREDUSA-N 2 0 310.388 2.683 20 0 DFADRP CC(C)n1ncc2cc(C[N@@H+]3CCC[C@H](C)[C@H]3CC[NH3+])cnc21 ZINC000650710978 431656008 /nfs/dbraw/zinc/65/60/08/431656008.db2.gz DWOPDHQEHVIEHM-WMLDXEAASA-N 2 0 315.465 2.962 20 0 DFADRP Cn1cc(-c2ccc(C[N@@H+]3C[C@@H]4CCC[C@]4(C[NH3+])C3)s2)cn1 ZINC000650709512 431656300 /nfs/dbraw/zinc/65/63/00/431656300.db2.gz CPJSJABCGZFKND-YOEHRIQHSA-N 2 0 316.474 2.709 20 0 DFADRP [NH3+]CC1(CC[NH2+]Cc2ccc(F)cc2Br)CC1 ZINC000650712777 431659864 /nfs/dbraw/zinc/65/98/64/431659864.db2.gz UCRQDGZZIRBKPL-UHFFFAOYSA-N 2 0 301.203 2.807 20 0 DFADRP C[N@H+](CCN1CC[NH2+]CC1)Cc1cc(-c2ccccc2)cs1 ZINC000647492888 431605498 /nfs/dbraw/zinc/60/54/98/431605498.db2.gz GMLNEPFHCSPYDK-UHFFFAOYSA-N 2 0 315.486 2.752 20 0 DFADRP CCOCc1cc(C[N@@H+]2CC[C@H]([NH3+])[C@H](CC)C2)ccc1OC ZINC000647498883 431609048 /nfs/dbraw/zinc/60/90/48/431609048.db2.gz SNKWQRPYBVYXOF-WBVHZDCISA-N 2 0 306.450 2.791 20 0 DFADRP CC(C)[N@H+](C)C[C@@H](O)C[NH+]1CCC[C@@]1(C)Cc1ccc(F)cc1 ZINC000660829744 431617720 /nfs/dbraw/zinc/61/77/20/431617720.db2.gz GKZWZDMKXWBJGU-MOPGFXCFSA-N 2 0 322.468 2.924 20 0 DFADRP Fc1ccccc1COC1CC[NH+](CC2CC[NH2+]CC2)CC1 ZINC000647537988 431621011 /nfs/dbraw/zinc/62/10/11/431621011.db2.gz BDYMGMDAJFIKKM-UHFFFAOYSA-N 2 0 306.425 2.806 20 0 DFADRP CC(C)(C)n1cc(C[N@@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)cn1 ZINC000647542762 431622377 /nfs/dbraw/zinc/62/23/77/431622377.db2.gz BNWGGKISVOBOTC-IAGOWNOFSA-N 2 0 304.482 2.850 20 0 DFADRP Cc1cccn2c(C[N@@H+]3CCC[C@H]([C@H]4CCC[NH2+]C4)C3)cnc12 ZINC000647543407 431624216 /nfs/dbraw/zinc/62/42/16/431624216.db2.gz MUOPTNOKKDEAHL-IRXDYDNUSA-N 2 0 312.461 2.854 20 0 DFADRP CCn1nc(C)c(C[N@@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)c1C ZINC000647542985 431624491 /nfs/dbraw/zinc/62/44/91/431624491.db2.gz FWAQWLFMEYJMTG-DLBZAZTESA-N 2 0 304.482 2.731 20 0 DFADRP COCc1cnc(C[N@@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)s1 ZINC000647544231 431626432 /nfs/dbraw/zinc/62/64/32/431626432.db2.gz YKKGMRYTXAMPEC-KGLIPLIRSA-N 2 0 309.479 2.501 20 0 DFADRP C[C@H]([NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1)c1noc(-c2ccccc2)n1 ZINC000647548704 431628471 /nfs/dbraw/zinc/62/84/71/431628471.db2.gz QERKMEDJFDBFRY-QCEMKRCNSA-N 2 0 312.417 2.775 20 0 DFADRP CCn1cc([C@@H]2OCCC[C@H]2C[NH2+]CC(C)(C)C[NH+](C)C)cn1 ZINC000657285948 431648311 /nfs/dbraw/zinc/64/83/11/431648311.db2.gz RSSLKSFDSCVUKA-DOTOQJQBSA-N 2 0 322.497 2.548 20 0 DFADRP C[C@@H]1CCC[N@H+](CCCC[NH2+]Cc2c(C3CC3)cnn2C)C1 ZINC000657311435 431665171 /nfs/dbraw/zinc/66/51/71/431665171.db2.gz KHPWYYKBZQEQSG-OAHLLOKOSA-N 2 0 304.482 2.899 20 0 DFADRP CC[NH+]1CCN([C@H](C)C[NH2+]Cc2cc3ccc(C)cc3[nH]2)CC1 ZINC000657309383 431666637 /nfs/dbraw/zinc/66/66/37/431666637.db2.gz DRJAVQZGQJKQCL-MRXNPFEDSA-N 2 0 314.477 2.592 20 0 DFADRP Cc1ccc(CCC[N@@H+]2CCCC[C@@H]2[C@H]2C[C@@H]([NH3+])CCO2)cn1 ZINC000650724506 431669559 /nfs/dbraw/zinc/66/95/59/431669559.db2.gz HWQDBTARPOJIMT-IPMKNSEASA-N 2 0 317.477 2.683 20 0 DFADRP CC[N@@H+]1CC[C@H](C[NH2+]Cc2ccc(O[C@@H](C)COC)cc2)C1 ZINC000657314822 431669557 /nfs/dbraw/zinc/66/95/57/431669557.db2.gz AZDRKGREBIHNID-DOTOQJQBSA-N 2 0 306.450 2.532 20 0 DFADRP CC1CC[NH+](CCCC[NH2+]Cc2c(C3CC3)cnn2C)CC1 ZINC000657312286 431670766 /nfs/dbraw/zinc/67/07/66/431670766.db2.gz HKVUVWLUQFIVCV-UHFFFAOYSA-N 2 0 304.482 2.899 20 0 DFADRP Cc1ccc2cc(C[NH2+]CCCC[NH+]3CCOCC3)[nH]c2c1 ZINC000657312306 431670859 /nfs/dbraw/zinc/67/08/59/431670859.db2.gz HTCXAWPSORLYIC-UHFFFAOYSA-N 2 0 301.434 2.678 20 0 DFADRP Cc1c([C@@H](C)[NH2+]CCC2(C[NH3+])CC2)nnn1-c1ccc(C)cc1 ZINC000650744571 431675124 /nfs/dbraw/zinc/67/51/24/431675124.db2.gz QNSPXTGVHOCZOH-CQSZACIVSA-N 2 0 313.449 2.664 20 0 DFADRP C[C@@H]([NH2+]CCC1(C[NH3+])CC1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000650744492 431675592 /nfs/dbraw/zinc/67/55/92/431675592.db2.gz OLOINUGVQFDAOM-CYBMUJFWSA-N 2 0 316.449 2.750 20 0 DFADRP C[C@H]([NH3+])[C@H]1COCC[C@@H]1[NH2+]CC1(c2ccccc2F)CCC1 ZINC000650740750 431675955 /nfs/dbraw/zinc/67/59/55/431675955.db2.gz PZJUBQSHAOQYCD-VBQJREDUSA-N 2 0 306.425 2.589 20 0 DFADRP CC[C@@H]([NH2+][C@@H]1CCO[C@H](c2ccncc2)C1)[C@H]1CCCC[NH2+]1 ZINC000650751787 431680070 /nfs/dbraw/zinc/68/00/70/431680070.db2.gz AXRPRCXASSIRQR-TVFCKZIOSA-N 2 0 303.450 2.812 20 0 DFADRP C[NH2+]Cc1ccccc1C[NH2+][C@@H](C)c1ccc(-n2cncn2)cc1 ZINC000650758149 431682134 /nfs/dbraw/zinc/68/21/34/431682134.db2.gz KDSFIBGVHINOAH-HNNXBMFYSA-N 2 0 321.428 2.838 20 0 DFADRP COCCc1nc(C)c([C@@H](C)[NH2+]CCC2CC[NH2+]CC2)s1 ZINC000650763384 431684709 /nfs/dbraw/zinc/68/47/09/431684709.db2.gz YVQHFGGYOICUMJ-GFCCVEGCSA-N 2 0 311.495 2.681 20 0 DFADRP FC(F)Oc1ccc(CC[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000647785833 431684845 /nfs/dbraw/zinc/68/48/45/431684845.db2.gz FOMIPAKTDLKXEI-RBSFLKMASA-N 2 0 310.388 2.808 20 0 DFADRP Cc1ccc([C@H](C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)N(C)C)cc1 ZINC000647786320 431684853 /nfs/dbraw/zinc/68/48/53/431684853.db2.gz MTFSVELZJFVABY-MKXGPGLRSA-N 2 0 301.478 2.575 20 0 DFADRP C[C@H]([NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1)c1cccc(-n2ccnc2)c1 ZINC000647788273 431684878 /nfs/dbraw/zinc/68/48/78/431684878.db2.gz GWOAVZQRTRCKIG-DZOHQFGASA-N 2 0 310.445 2.911 20 0 DFADRP FC(F)Oc1ccc(CC[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC000647785835 431685137 /nfs/dbraw/zinc/68/51/37/431685137.db2.gz FOMIPAKTDLKXEI-SOUVJXGZSA-N 2 0 310.388 2.808 20 0 DFADRP CC(C)(C)c1csc(CC[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)n1 ZINC000647786436 431685193 /nfs/dbraw/zinc/68/51/93/431685193.db2.gz PADVXBKRHMYAJZ-MELADBBJSA-N 2 0 307.507 2.961 20 0 DFADRP C[C@H]([NH2+]CCC1CC[NH2+]CC1)c1ccc(OCC[NH+](C)C)cc1 ZINC000650763533 431685749 /nfs/dbraw/zinc/68/57/49/431685749.db2.gz CVZOIMMPJIQXIG-INIZCTEOSA-N 3 0 319.493 2.667 20 0 DFADRP Cn1ccnc1[C@@H]([NH2+]CCC1CC[NH2+]CC1)c1cccc(F)c1 ZINC000650762599 431686126 /nfs/dbraw/zinc/68/61/26/431686126.db2.gz FUHHDLNNIRDQQP-KRWDZBQOSA-N 2 0 316.424 2.628 20 0 DFADRP C[C@H](CCc1n[nH]c2ccccc21)[NH2+]CCC1CC[NH2+]CC1 ZINC000650762950 431686136 /nfs/dbraw/zinc/68/61/36/431686136.db2.gz NXJYCVGHFAUBNS-CQSZACIVSA-N 2 0 300.450 2.863 20 0 DFADRP Fc1cccc(OC(F)F)c1C[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000647789321 431687459 /nfs/dbraw/zinc/68/74/59/431687459.db2.gz APFZPFKLDVLQOY-SDDRHHMPSA-N 2 0 314.351 2.905 20 0 DFADRP CC(C)[C@@H](C[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1)N1CCC(C)CC1 ZINC000647788390 431687600 /nfs/dbraw/zinc/68/76/00/431687600.db2.gz INQIPBISMLXQNP-NCXUSEDFSA-N 2 0 307.526 2.721 20 0 DFADRP CC(C)(C[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1)c1ccc2c(c1)OCO2 ZINC000647788539 431688139 /nfs/dbraw/zinc/68/81/39/431688139.db2.gz LRAVGBOOMNTAAZ-SQWLQELKSA-N 2 0 316.445 2.671 20 0 DFADRP C[C@H](O)C[C@H](C[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1)c1ccccc1 ZINC000647789546 431688333 /nfs/dbraw/zinc/68/83/33/431688333.db2.gz HCMKYPRZVKQWNB-AIHBUXEESA-N 2 0 302.462 2.519 20 0 DFADRP Cc1ccccc1[C@H]([C@H](C)[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1)N(C)C ZINC000647795913 431688992 /nfs/dbraw/zinc/68/89/92/431688992.db2.gz ZMFWMYMMQIUESV-CBNQQXHVSA-N 2 0 315.505 2.964 20 0 DFADRP Cn1cc(CC[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)c2ccc(F)cc21 ZINC000647795832 431689014 /nfs/dbraw/zinc/68/90/14/431689014.db2.gz XSOGXZDPWWOGDQ-YSVLISHTSA-N 2 0 315.436 2.838 20 0 DFADRP CO[C@H](c1ccc(F)cc1)[C@H](C)[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000647794102 431689055 /nfs/dbraw/zinc/68/90/55/431689055.db2.gz REPUIUJHPWGKLQ-AHMROAQXSA-N 2 0 306.425 2.879 20 0 DFADRP CC[NH+]1CCC(C[NH2+]Cc2ccc(O[C@H](C)COC)cc2)CC1 ZINC000657347001 431689300 /nfs/dbraw/zinc/68/93/00/431689300.db2.gz KVXXZCPCQDICSU-MRXNPFEDSA-N 2 0 320.477 2.922 20 0 DFADRP COc1ccccc1OC[C@H](C)C[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000647793568 431689346 /nfs/dbraw/zinc/68/93/46/431689346.db2.gz APCVNULAHUQUEK-LTIDMASMSA-N 2 0 318.461 2.688 20 0 DFADRP Cc1ccccc1[C@H]([C@H](C)[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1)N(C)C ZINC000647795914 431689965 /nfs/dbraw/zinc/68/99/65/431689965.db2.gz ZMFWMYMMQIUESV-IPLXSBJHSA-N 2 0 315.505 2.964 20 0 DFADRP c1cc(C[NH2+]CCCCNc2ccccn2)n(-c2cc[nH+]cc2)n1 ZINC000657345481 431690850 /nfs/dbraw/zinc/69/08/50/431690850.db2.gz QWGXUWWGEQWJDB-UHFFFAOYSA-N 2 0 322.416 2.644 20 0 DFADRP Fc1cc(C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)ccc1OC(F)F ZINC000647798944 431691285 /nfs/dbraw/zinc/69/12/85/431691285.db2.gz ZIQMBLMBKPFVOH-RWMBFGLXSA-N 2 0 314.351 2.905 20 0 DFADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]CC[C@@H]1CSc2ccccc2O1 ZINC000647801464 431693605 /nfs/dbraw/zinc/69/36/05/431693605.db2.gz WKEFGJDUSJIMHE-KFWWJZLASA-N 2 0 306.475 2.908 20 0 DFADRP C[C@H]([NH2+]Cc1ccc(C[NH3+])cc1)c1ccc(C(=O)N(C)C)cc1 ZINC000647802469 431693904 /nfs/dbraw/zinc/69/39/04/431693904.db2.gz NOPNSMBXACRWIR-AWEZNQCLSA-N 2 0 311.429 2.698 20 0 DFADRP Cc1c(Br)cncc1C[NH2+]CC1CC[NH+](C)CC1 ZINC000657349304 431694190 /nfs/dbraw/zinc/69/41/90/431694190.db2.gz PTKMXUIRNDWHNO-UHFFFAOYSA-N 2 0 312.255 2.584 20 0 DFADRP Cc1cccc2nc(CC[NH2+][C@H](Cc3ccccc3)[C@@H](C)[NH3+])cn21 ZINC000647804589 431695299 /nfs/dbraw/zinc/69/52/99/431695299.db2.gz VCUVZDMXNGVFDZ-VQIMIIECSA-N 2 0 322.456 2.733 20 0 DFADRP CC[C@@H]1C[C@H]([NH2+]Cc2ccc(OCCC[NH+](C)C)cc2)CO1 ZINC000657352668 431696188 /nfs/dbraw/zinc/69/61/88/431696188.db2.gz KNNJGDXSAUPDKJ-DLBZAZTESA-N 2 0 306.450 2.674 20 0 DFADRP c1cc(C[NH2+]C[C@@H]2CCOc3ccccc32)n(-c2cc[nH+]cc2)n1 ZINC000657358687 431698499 /nfs/dbraw/zinc/69/84/99/431698499.db2.gz MGMWOCWYAZBTOH-HNNXBMFYSA-N 2 0 320.396 2.923 20 0 DFADRP CC[C@H]1C[C@H]([NH2+]Cc2ccc(OCC[NH+]3CCCC3)cc2)CO1 ZINC000657358484 431699622 /nfs/dbraw/zinc/69/96/22/431699622.db2.gz WYEFDIRWHONPCT-ROUUACIJSA-N 2 0 318.461 2.818 20 0 DFADRP COC[C@H](C)Oc1ccc(C[NH2+][C@H]2CC[N@H+](C)[C@@H](C)C2)cc1 ZINC000657376554 431710781 /nfs/dbraw/zinc/71/07/81/431710781.db2.gz RYFDRBCWBYOJDR-ZOBUZTSGSA-N 2 0 306.450 2.673 20 0 DFADRP [NH3+]Cc1ccc(CN[C@@H]2CC[NH2+][C@@H](c3ccccc3)C2)c(F)c1 ZINC000650716541 431662380 /nfs/dbraw/zinc/66/23/80/431662380.db2.gz BLVPKMPFPYDIDM-IEBWSBKVSA-N 2 0 313.420 2.867 20 0 DFADRP CC(C)(C[NH2+]Cc1ccnn1-c1cc[nH+]cc1)[C@H]1CCCCO1 ZINC000657394570 431724490 /nfs/dbraw/zinc/72/44/90/431724490.db2.gz QVXTVDGBZUMWCQ-QGZVFWFLSA-N 2 0 314.433 2.952 20 0 DFADRP CC[C@H]1C[N@H+](CCOc2ccc(Cl)c(F)c2)CC[C@@H]1[NH3+] ZINC000647934955 431735666 /nfs/dbraw/zinc/73/56/66/431735666.db2.gz VLMRTMDBRPJQAR-NHYWBVRUSA-N 2 0 300.805 2.917 20 0 DFADRP O=C(CC[N@@H+]1CC[C@@]2(C1)CCC[NH2+]C2)Nc1ccccc1Cl ZINC000647957057 431746072 /nfs/dbraw/zinc/74/60/72/431746072.db2.gz KCBNIDFQLNXGAB-KRWDZBQOSA-N 2 0 321.852 2.744 20 0 DFADRP C[NH+]1CCC(C)(C[NH2+]Cc2ccc(O[C@H]3CCOC3)cc2)CC1 ZINC000657430441 431746843 /nfs/dbraw/zinc/74/68/43/431746843.db2.gz NYIFGURSRYEPIG-SFHVURJKSA-N 2 0 318.461 2.676 20 0 DFADRP Cc1ccc2cc(C[NH2+][C@@H](C)CCN3CC[NH+](C)CC3)[nH]c2c1 ZINC000657438768 431754239 /nfs/dbraw/zinc/75/42/39/431754239.db2.gz OOQXYUPURWFNDR-INIZCTEOSA-N 2 0 314.477 2.592 20 0 DFADRP COc1ccc(COCC[NH+]2CCC([C@@H]3CC[NH2+]C3)CC2)cc1 ZINC000647970000 431760636 /nfs/dbraw/zinc/76/06/36/431760636.db2.gz MFYRXDPMHGYQOT-GOSISDBHSA-N 2 0 318.461 2.533 20 0 DFADRP C(c1noc2c1CCCC2)[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647977994 431761707 /nfs/dbraw/zinc/76/17/07/431761707.db2.gz KTOQTNBTLVAEPG-CABCVRRESA-N 2 0 303.450 2.765 20 0 DFADRP C[C@H](C(=O)Nc1ccccc1)[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647976910 431762682 /nfs/dbraw/zinc/76/26/82/431762682.db2.gz VZVMBICPMBJRRL-BRWVUGGUSA-N 2 0 315.461 2.725 20 0 DFADRP CN(CCC[NH+](C)C)CCNc1cncc(-c2cccs2)n1 ZINC000664244415 431714431 /nfs/dbraw/zinc/71/44/31/431714431.db2.gz HNELNUWQNDLHLJ-UHFFFAOYSA-N 2 0 319.478 2.501 20 0 DFADRP O=C(CC1CC[NH+](CCC2CC[NH2+]CC2)CC1)NC1CCCC1 ZINC000647882148 431715585 /nfs/dbraw/zinc/71/55/85/431715585.db2.gz OZARJPHDUYBTSK-UHFFFAOYSA-N 2 0 321.509 2.537 20 0 DFADRP CCCCNC(=O)[C@@H]1CC[C@H](C)[N@H+](CCCC2CC[NH2+]CC2)C1 ZINC000647881624 431716868 /nfs/dbraw/zinc/71/68/68/431716868.db2.gz VRLAWSOZAWBMLD-FUHWJXTLSA-N 2 0 323.525 2.783 20 0 DFADRP CCC[N@H+](CCOCc1ccc(OC)cc1)C1CC[NH2+]CC1 ZINC000647895347 431720496 /nfs/dbraw/zinc/72/04/96/431720496.db2.gz OOXNBOQWNHFBBN-UHFFFAOYSA-N 2 0 306.450 2.676 20 0 DFADRP CCO[C@@H](CC[NH+](C)C)C[NH2+]Cc1cc2ccc(C)cc2[nH]1 ZINC000657388452 431720847 /nfs/dbraw/zinc/72/08/47/431720847.db2.gz BJXOARWBZVLAMY-KRWDZBQOSA-N 2 0 303.450 2.923 20 0 DFADRP CCCOc1ccc(C[NH2+]CCN2CCC(OC)CC2)c(C)c1 ZINC000657390820 431721517 /nfs/dbraw/zinc/72/15/17/431721517.db2.gz IUWFASLIQJEGAP-UHFFFAOYSA-N 2 0 320.477 2.984 20 0 DFADRP C[NH+](C)CCOc1ccc(C[NH2+]C[C@H]2CCN2C(C)(C)C)cc1 ZINC000657523189 431797862 /nfs/dbraw/zinc/79/78/62/431797862.db2.gz FEDYXEYAPWOUJA-QGZVFWFLSA-N 2 0 319.493 2.589 20 0 DFADRP CC(C)O[C@@H]1CC[N@H+](Cc2ccc(OCC[NH+](C)C)cc2)C1 ZINC000648047662 431800662 /nfs/dbraw/zinc/80/06/62/431800662.db2.gz KNIHFWTYPPKWPQ-GOSISDBHSA-N 2 0 306.450 2.626 20 0 DFADRP C[NH+]1CCC2(CC1)C[N@H+](Cc1cccc3cnccc31)CCO2 ZINC000648072234 431808756 /nfs/dbraw/zinc/80/87/56/431808756.db2.gz SDLZBAMFFRSWGT-UHFFFAOYSA-N 2 0 311.429 2.531 20 0 DFADRP C[C@@H](CN(C)CCC[NH+](C)C)[NH2+]Cc1cc2ccccc2o1 ZINC000657572702 431814548 /nfs/dbraw/zinc/81/45/48/431814548.db2.gz CBTHVHNPUSRCKE-HNNXBMFYSA-N 2 0 303.450 2.794 20 0 DFADRP C/C(=C/c1ccccc1)C[NH2+][C@@H](C)CN(C)CCC[NH+](C)C ZINC000657573368 431815004 /nfs/dbraw/zinc/81/50/04/431815004.db2.gz KLLBIYCANSYVQC-DNKLCNGGSA-N 2 0 303.494 2.952 20 0 DFADRP C[C@@H](CN(C)CCC[NH+](C)C)[NH2+]C/C=C\c1ccc(F)cc1 ZINC000657572602 431815032 /nfs/dbraw/zinc/81/50/32/431815032.db2.gz CLJRDGOVQJATFL-WRLNGNIRSA-N 2 0 307.457 2.701 20 0 DFADRP C[C@@H](CN(C)CCC[NH+](C)C)[NH2+]Cc1ccnc2ccccc12 ZINC000657573324 431815174 /nfs/dbraw/zinc/81/51/74/431815174.db2.gz JKBHCZGLEJLBRL-INIZCTEOSA-N 2 0 314.477 2.596 20 0 DFADRP C[C@H]([NH2+]C[C@H]1CC[NH2+]C1)c1ccc(NC(=O)c2ccncc2)cc1 ZINC000647991939 431766175 /nfs/dbraw/zinc/76/61/75/431766175.db2.gz HLMQWMUMVVIXSX-GJZGRUSLSA-N 2 0 324.428 2.594 20 0 DFADRP C([C@@H]1CC[NH2+]C1)[N@@H+]1CCC[C@@H](c2nc3c(s2)CCCC3)C1 ZINC000647990415 431766789 /nfs/dbraw/zinc/76/67/89/431766789.db2.gz YSTWVRFDRYMQKY-ZIAGYGMSSA-N 2 0 305.491 2.811 20 0 DFADRP CCC[N@H+](C[C@@H]1CC[NH2+]C1)[C@H](C)CC(=O)Nc1ccccc1 ZINC000647991221 431767183 /nfs/dbraw/zinc/76/71/83/431767183.db2.gz MEHNBGWUHQMALR-HZPDHXFCSA-N 2 0 303.450 2.725 20 0 DFADRP OC[C@H](C[NH2+]Cc1ccnn1-c1cc[nH+]cc1)C1CCCCC1 ZINC000657475040 431775101 /nfs/dbraw/zinc/77/51/01/431775101.db2.gz YHMXZAXRESHEBB-INIZCTEOSA-N 2 0 314.433 2.546 20 0 DFADRP CC(C)(C[NH2+]Cc1ccnn1-c1cc[nH+]cc1)c1cccnc1 ZINC000657497234 431784957 /nfs/dbraw/zinc/78/49/57/431784957.db2.gz XIYMIYUJHFIODG-UHFFFAOYSA-N 2 0 307.401 2.730 20 0 DFADRP Cc1cccc(C[NH2+]Cc2ccc(C[N@@H+]3CC[C@H](O)C3)cc2)c1 ZINC000657594242 431820429 /nfs/dbraw/zinc/82/04/29/431820429.db2.gz HIEOYBDVXXUTEL-FQEVSTJZSA-N 2 0 310.441 2.851 20 0 DFADRP c1ccc([C@@H]2CO[C@H](C[NH2+][C@@H]3CC[N@@H+]4CCC[C@@H]4C3)C2)cc1 ZINC000657657128 431833999 /nfs/dbraw/zinc/83/39/99/431833999.db2.gz WBMDWUHOMFLKGH-MANSERQUSA-N 2 0 300.446 2.776 20 0 DFADRP Cc1ccc([C@H]([NH2+][C@H](C)CN2CC[NH+](C)CC2)C2CC2)cc1 ZINC000091334717 280992918 /nfs/dbraw/zinc/99/29/18/280992918.db2.gz IJCMDRXTODGOEN-APWZRJJASA-N 2 0 301.478 2.672 20 0 DFADRP Cc1ccc2c(C[N@H+]3CC[C@H](C)[C@@H](C[NH3+])C3)cc(=O)oc2c1 ZINC000261987396 281045750 /nfs/dbraw/zinc/04/57/50/281045750.db2.gz BAJDACCXUXGBST-ZFWWWQNUSA-N 2 0 300.402 2.518 20 0 DFADRP Cc1cccc2c1[nH+]cc(C)c2N1CC[N@@H+](C[C@H](C)O)[C@H](C)C1 ZINC000248399560 281308105 /nfs/dbraw/zinc/30/81/05/281308105.db2.gz VYZHWFRKYCBKCV-CVEARBPZSA-N 2 0 313.445 2.743 20 0 DFADRP Cc1ccccc1C1(O)CC[NH+](CC[C@H]2CCC[N@H+]2C)CC1 ZINC000364052222 281335800 /nfs/dbraw/zinc/33/58/00/281335800.db2.gz BCTQHTJLPIHFIV-QGZVFWFLSA-N 2 0 302.462 2.763 20 0 DFADRP CCC(C)(C)[NH2+][C@@H](C)C(=O)NC[C@@H](c1ccco1)[NH+]1CCCC1 ZINC000274631136 282010280 /nfs/dbraw/zinc/01/02/80/282010280.db2.gz WDBUBSNSMNDZAY-GJZGRUSLSA-N 2 0 321.465 2.699 20 0 DFADRP CCC(C)(C)[NH2+][C@H](C)C(=O)N[C@H](C[NH+](C)C)c1ccc(F)cc1 ZINC000288398158 282026603 /nfs/dbraw/zinc/02/66/03/282026603.db2.gz YOXZSWQTRCSMHL-CZUORRHYSA-N 2 0 323.456 2.711 20 0 DFADRP COCC[C@H](COC)[NH2+]C1CC[NH+]([C@@H]2CCCC[C@H]2C)CC1 ZINC000353630694 292692906 /nfs/dbraw/zinc/69/29/06/292692906.db2.gz NIRKLMGBMQTSNT-KBAYOESNSA-N 2 0 312.498 2.671 20 0 DFADRP Cc1cccc2c1[C@H](C)C[C@H]2[NH2+]CC1CC[NH+](CCO)CC1 ZINC000153648276 289054469 /nfs/dbraw/zinc/05/44/69/289054469.db2.gz JIVGJNHNRSWOHR-CRAIPNDOSA-N 2 0 302.462 2.837 20 0 DFADRP CCCC[C@@H](C[NH3+])NC(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C ZINC000415783463 289136924 /nfs/dbraw/zinc/13/69/24/289136924.db2.gz GDOLCHOJOHXKLW-RDJZCZTQSA-N 2 0 318.465 2.875 20 0 DFADRP C[NH+](C)[C@@H]1CCc2cc(NC(=O)NC(C)(C)CCC[NH3+])ccc21 ZINC000415782480 289137006 /nfs/dbraw/zinc/13/70/06/289137006.db2.gz FEJWKVFRGJAGKV-MRXNPFEDSA-N 2 0 318.465 2.875 20 0 DFADRP CCC(CC)(C[NH3+])NC(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C ZINC000415784511 289137508 /nfs/dbraw/zinc/13/75/08/289137508.db2.gz HDTALDIHMXSTPW-MRXNPFEDSA-N 2 0 318.465 2.875 20 0 DFADRP C[C@H](C(=O)NC1CC[NH+](C2CCCC2)CC1)[NH+]1CCCCCC1 ZINC000363598516 289348381 /nfs/dbraw/zinc/34/83/81/289348381.db2.gz AFWMQDLZRGFIEE-MRXNPFEDSA-N 2 0 321.509 2.774 20 0 DFADRP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@@H](C)c1cc2c(s1)CCCC2 ZINC000154976911 289604060 /nfs/dbraw/zinc/60/40/60/289604060.db2.gz DYLQNTJYWZYDMN-CABCVRRESA-N 2 0 321.534 2.913 20 0 DFADRP C[N@@H+]1CC[C@H](CNC(=O)C2([NH3+])CCCCC2)[C@@H]1c1cccs1 ZINC000372097821 290193984 /nfs/dbraw/zinc/19/39/84/290193984.db2.gz CYEBOEJKDQHZOK-UKRRQHHQSA-N 2 0 321.490 2.519 20 0 DFADRP C[N@@H+]1CC[C@H]([NH2+][C@@H]2CCOC3(CCSCC3)C2)[C@H]2CCC[C@@H]21 ZINC000353635275 290224152 /nfs/dbraw/zinc/22/41/52/290224152.db2.gz ZJMLAYUHIPFFIA-NCOADZHNSA-N 2 0 324.534 2.894 20 0 DFADRP C[C@H](c1ccc(F)cc1)[N@H+](C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000371426850 290230755 /nfs/dbraw/zinc/23/07/55/290230755.db2.gz ZHPDZFIZOWFFPF-DNVCBOLYSA-N 2 0 319.468 2.987 20 0 DFADRP [NH3+]CCCc1nc(-c2cccc(C[NH+]3CCCCC3)c2)no1 ZINC000435727278 296971068 /nfs/dbraw/zinc/97/10/68/296971068.db2.gz VPSBLSCRJHRIKP-UHFFFAOYSA-N 2 0 300.406 2.614 20 0 DFADRP O[C@H](C[NH2+][C@@H]1CC[C@H](c2ccccc2)C1)C[NH+]1CCCCC1 ZINC000436278368 296995871 /nfs/dbraw/zinc/99/58/71/296995871.db2.gz DOSVPLDSGWZLBQ-IPMKNSEASA-N 2 0 302.462 2.759 20 0 DFADRP COc1ccc(C[NH2+]Cc2ccc(C[NH+](C)C)c(F)c2)cn1 ZINC000436422007 297002633 /nfs/dbraw/zinc/00/26/33/297002633.db2.gz XUZICPQEXKJYIV-UHFFFAOYSA-N 2 0 303.381 2.581 20 0 DFADRP CC[NH+]1CCC([NH2+]C[C@]2(O)CCC[C@H](C(F)(F)F)C2)CC1 ZINC000437111069 297054639 /nfs/dbraw/zinc/05/46/39/297054639.db2.gz ONRCISKXADGYRG-JSGCOSHPSA-N 2 0 308.388 2.544 20 0 DFADRP CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCC[NH+]1C1CCCCC1 ZINC000437848967 297072076 /nfs/dbraw/zinc/07/20/76/297072076.db2.gz XILHEGPOVKHPFS-MSOLQXFVSA-N 2 0 321.509 2.774 20 0 DFADRP C(=C/c1ccncc1)\C[NH+]1CCC(CC[NH+]2CCOCC2)CC1 ZINC000494956136 299893056 /nfs/dbraw/zinc/89/30/56/299893056.db2.gz SWBKZBXHDUCGCF-OWOJBTEDSA-N 2 0 315.461 2.529 20 0 DFADRP C[C@@H]1C[C@@H]([NH2+]Cc2ccccc2C[NH+]2CCC(O)CC2)[C@H]1C ZINC000495095919 299903444 /nfs/dbraw/zinc/90/34/44/299903444.db2.gz YQZSIGFKHHEZJS-ZRGWGRIASA-N 2 0 302.462 2.777 20 0 DFADRP COc1ccc(CC[NH2+][C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)cc1OC ZINC000261842233 295121580 /nfs/dbraw/zinc/12/15/80/295121580.db2.gz YUSUUZGJBOSKCQ-BRWVUGGUSA-N 2 0 318.461 2.757 20 0 DFADRP CC[C@@H](C)[C@@H](C)[NH2+]Cc1cccc(OCCN2CCOCC2)c1 ZINC000155152832 295313973 /nfs/dbraw/zinc/31/39/73/295313973.db2.gz MNFVNKGSFRUALP-IAGOWNOFSA-N 2 0 320.477 2.922 20 0 DFADRP C[C@@H]([NH2+]C[C@H]1CCC[N@H+](C)C1)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000158129275 295358876 /nfs/dbraw/zinc/35/88/76/295358876.db2.gz UNGWTGMXTXNCBG-ZIAGYGMSSA-N 2 0 315.461 2.909 20 0 DFADRP CCC[C@@H]([NH2+]CCCCN1CC[NH+](CC)CC1)c1ccccn1 ZINC000158626751 295365300 /nfs/dbraw/zinc/36/53/00/295365300.db2.gz ZTWRDQVYTVVTNB-GOSISDBHSA-N 2 0 318.509 2.930 20 0 DFADRP COCCC[NH+]1CCC([NH2+]C2C3CC4CC(C3)CC2C4)CC1 ZINC000159040698 295371394 /nfs/dbraw/zinc/37/13/94/295371394.db2.gz UWJUBMHOLIIWDZ-UHFFFAOYSA-N 2 0 306.494 2.902 20 0 DFADRP C[C@@H](C[NH2+][C@@H]1CCC(=O)Nc2ccc(F)cc21)C[NH+]1CCCC1 ZINC000363688585 295434559 /nfs/dbraw/zinc/43/45/59/295434559.db2.gz MUAAYDSEAAFAPL-XJKSGUPXSA-N 2 0 319.424 2.921 20 0 DFADRP CC[C@@H]([NH2+][C@@H]1CCN(C2CC[NH+](C)CC2)C1)c1ccccc1 ZINC000370623967 295461498 /nfs/dbraw/zinc/46/14/98/295461498.db2.gz DZPZLVOEBXHHIR-IEBWSBKVSA-N 2 0 301.478 2.896 20 0 DFADRP CC1CC[NH+](Cc2ccc(NC(=O)[C@]3(F)CC[NH2+]C3)cc2)CC1 ZINC000370767713 295462973 /nfs/dbraw/zinc/46/29/73/295462973.db2.gz VUPQTXICGOZGLL-SFHVURJKSA-N 2 0 319.424 2.559 20 0 DFADRP [NH3+]C[C@H]1CC[C@H](C[NH2+]Cc2cnn(Cc3ccccc3)c2)CC1 ZINC000390137574 295478232 /nfs/dbraw/zinc/47/82/32/295478232.db2.gz MTWIYZHQSGSVLC-QAQDUYKDSA-N 2 0 312.461 2.786 20 0 DFADRP C[C@H]([NH2+]CC1(O)CC[NH+](Cc2ccccc2)CC1)C1CCC1 ZINC000397588367 295487985 /nfs/dbraw/zinc/48/79/85/295487985.db2.gz KOUNXHTUYJKOMR-INIZCTEOSA-N 2 0 302.462 2.792 20 0 DFADRP CC(C)[NH+]1CCC(NC(=O)C[NH2+][C@@H]2CCC(C)(C)C[C@@H]2C)CC1 ZINC000411550684 295546009 /nfs/dbraw/zinc/54/60/09/295546009.db2.gz LELLNDRXSDCBLD-DOTOQJQBSA-N 2 0 323.525 2.780 20 0 DFADRP C[C@@H](CNC(=O)[C@H]1CCC[N@@H+]1C1CCCC1)[NH+]1CCC(C)CC1 ZINC000438558076 297098721 /nfs/dbraw/zinc/09/87/21/297098721.db2.gz ZYALEAJCTZIWJX-FUHWJXTLSA-N 2 0 321.509 2.630 20 0 DFADRP C[C@H]1CCCC[N@@H+]1CCCNC(=O)[C@@H]1CCC[NH+]1C1CCCC1 ZINC000440145691 297145392 /nfs/dbraw/zinc/14/53/92/297145392.db2.gz AYWISINBBCXJHN-WMZOPIPTSA-N 2 0 321.509 2.774 20 0 DFADRP C[C@H]1CCCC[N@@H+]1CCCNC(=O)[C@H]1CCC[NH+]1C1CCCC1 ZINC000440145688 297145451 /nfs/dbraw/zinc/14/54/51/297145451.db2.gz AYWISINBBCXJHN-FUHWJXTLSA-N 2 0 321.509 2.774 20 0 DFADRP Cc1ccccc1CCC[NH+]1CCC([N@@H+](C)C[C@@H](C)O)CC1 ZINC000440328075 297149909 /nfs/dbraw/zinc/14/99/09/297149909.db2.gz RYIBBZZGUZSECF-QGZVFWFLSA-N 2 0 304.478 2.705 20 0 DFADRP CO[C@@H]1CC[NH+](C[C@@H](C)C[N@H+]2CC[C@H](OC)C[C@@H]2C)[C@H](C)C1 ZINC000441373855 297181717 /nfs/dbraw/zinc/18/17/17/297181717.db2.gz CJOVXANROZFGMP-PFJGLKMASA-N 2 0 312.498 2.621 20 0 DFADRP CC[NH+](CC)CCOC1CC[NH+](Cc2cncc(C)c2)CC1 ZINC000442691934 297201384 /nfs/dbraw/zinc/20/13/84/297201384.db2.gz YUAIKOALFCXPOP-UHFFFAOYSA-N 2 0 305.466 2.713 20 0 DFADRP C[N@@H+]1CCN(CC[NH2+][C@H]2CCc3ccc(Cl)cc32)CC1(C)C ZINC000442860008 297208524 /nfs/dbraw/zinc/20/85/24/297208524.db2.gz AZFMJIQYVSNZKV-KRWDZBQOSA-N 2 0 321.896 2.943 20 0 DFADRP C[C@@H]([NH2+]CCN1CC[N@H+](C)C(C)(C)C1)C1CCC(F)(F)CC1 ZINC000442869976 297208849 /nfs/dbraw/zinc/20/88/49/297208849.db2.gz CDAMLYLNYKUQCS-CQSZACIVSA-N 2 0 317.468 2.816 20 0 DFADRP C[C@H](CCc1ccccc1F)[NH2+]CCN1CC[N@H+](C)C(C)(C)C1 ZINC000442868534 297208918 /nfs/dbraw/zinc/20/89/18/297208918.db2.gz CMXYXCBCNMIWPW-MRXNPFEDSA-N 2 0 321.484 2.762 20 0 DFADRP CSc1cc2c(cc1C[N@@H+]1CCC[C@H](CC[NH3+])C1)OCCO2 ZINC000442919372 297211267 /nfs/dbraw/zinc/21/12/67/297211267.db2.gz ITSRROVITQOHKO-CYBMUJFWSA-N 2 0 322.474 2.741 20 0 DFADRP COc1ccc(-c2nc(C[N@@H+]3CCC[C@H](CC[NH3+])C3)co2)cc1 ZINC000443054868 297213517 /nfs/dbraw/zinc/21/35/17/297213517.db2.gz AQCVVDNQCHIDRM-CQSZACIVSA-N 2 0 315.417 2.911 20 0 DFADRP Cc1cccc(C)c1NC(=O)[C@H](C)[N@@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000443058455 297213861 /nfs/dbraw/zinc/21/38/61/297213861.db2.gz AFGGYCNMKFNOCS-HOTGVXAUSA-N 2 0 303.450 2.691 20 0 DFADRP Cc1ccc(NC(=O)[C@H](C)[N@@H+]2CCC[C@H](CC[NH3+])C2)cc1C ZINC000443061955 297214389 /nfs/dbraw/zinc/21/43/89/297214389.db2.gz SOWLMBTWVLSRKO-JKSUJKDBSA-N 2 0 303.450 2.691 20 0 DFADRP [NH3+]CC[C@H]1CCC[N@H+](CC(=O)Nc2cccc3ccccc32)C1 ZINC000443062683 297214468 /nfs/dbraw/zinc/21/44/68/297214468.db2.gz UYYAUDKEJCPWAV-OAHLLOKOSA-N 2 0 311.429 2.839 20 0 DFADRP [NH3+]CC[C@H]1CCC[N@H+](Cc2ccn(-c3ccc(F)cc3)n2)C1 ZINC000443068361 297214901 /nfs/dbraw/zinc/21/49/01/297214901.db2.gz HVYZPMKAFYXBSV-CQSZACIVSA-N 2 0 302.397 2.572 20 0 DFADRP CCc1cc(NCC[NH+]2CCSCC2)c2ccccc2[nH+]1 ZINC000443894753 297227817 /nfs/dbraw/zinc/22/78/17/297227817.db2.gz IKRYLBITRNASGT-UHFFFAOYSA-N 2 0 301.459 2.680 20 0 DFADRP CC[C@H]1CCCC[C@H]1[N@H+](C)CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000444659197 297243821 /nfs/dbraw/zinc/24/38/21/297243821.db2.gz CNLTWHRKPNTWPT-MAUKXSAKSA-N 2 0 321.509 2.630 20 0 DFADRP c1cn(Cc2ccccc2)c(C[NH2+]CC2CC[NH+](C3CC3)CC2)n1 ZINC000446887423 297289489 /nfs/dbraw/zinc/28/94/89/297289489.db2.gz SMCHZCQTGHODBV-UHFFFAOYSA-N 2 0 324.472 2.895 20 0 DFADRP c1cn(-c2csc(C[NH2+]CC3CC[NH+](C4CC4)CC3)c2)cn1 ZINC000446889467 297289624 /nfs/dbraw/zinc/28/96/24/297289624.db2.gz AEJLDWDYYHKXIN-UHFFFAOYSA-N 2 0 316.474 2.898 20 0 DFADRP CC[N@@H+]1CC[C@@H]([NH+](C)CCC(=O)Nc2ccc(C)cn2)C[C@@H]1C ZINC000447007941 297292606 /nfs/dbraw/zinc/29/26/06/297292606.db2.gz RVKSQZZWDRUIGZ-JKSUJKDBSA-N 2 0 318.465 2.523 20 0 DFADRP CC[N@H+](Cc1ccc(C(=O)N[C@@H]2CC[NH2+][C@H](C)C2)cc1)C1CC1 ZINC000447506625 297305761 /nfs/dbraw/zinc/30/57/61/297305761.db2.gz DHGUVYKZAYXGLV-RHSMWYFYSA-N 2 0 315.461 2.541 20 0 DFADRP C[C@H](O)C[N@H+](C)C1CC[NH+](CC[C@H](C)c2ccccc2)CC1 ZINC000447736636 297315038 /nfs/dbraw/zinc/31/50/38/297315038.db2.gz OANNERPSCWQLAY-IRXDYDNUSA-N 2 0 304.478 2.957 20 0 DFADRP C[NH+](C)Cc1ccc(-c2noc([C@@H]3CCC[C@@H]3C[NH3+])n2)cc1 ZINC000448547445 297341956 /nfs/dbraw/zinc/34/19/56/297341956.db2.gz WTHMLROTMGBIIL-HUUCEWRRSA-N 2 0 300.406 2.641 20 0 DFADRP CC[C@H]1CCC[C@@H]1C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C ZINC000448972704 297384982 /nfs/dbraw/zinc/38/49/82/297384982.db2.gz UZXDVGGHBJGOJE-IRXDYDNUSA-N 2 0 311.514 2.545 20 0 DFADRP C[C@@H]1CC[C@H](C)[C@H]([NH2+]Cc2cccnc2N2CC[NH+](C)CC2)C1 ZINC000449103320 297405952 /nfs/dbraw/zinc/40/59/52/297405952.db2.gz AQDBPNJKEVZLJH-SOLBZPMBSA-N 2 0 316.493 2.748 20 0 DFADRP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+]C[C@](C)(O)C2CC2)CC1 ZINC000449149567 297413845 /nfs/dbraw/zinc/41/38/45/297413845.db2.gz XFWNPEMGRHRQHW-UZLBHIALSA-N 2 0 316.489 2.833 20 0 DFADRP C[C@@H](Cc1ccoc1)[NH2+]CC1(N2CCCCC2)CC[NH+](C)CC1 ZINC000449169853 297417056 /nfs/dbraw/zinc/41/70/56/297417056.db2.gz PRHBNGAGUORYJN-KRWDZBQOSA-N 2 0 319.493 2.751 20 0 DFADRP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+]C[C@@H]2CCC[C@H]2O)CC1 ZINC000449179162 297418390 /nfs/dbraw/zinc/41/83/90/297418390.db2.gz ZBZQLDKSUBXOMT-IMFGXOCKSA-N 2 0 316.489 2.833 20 0 DFADRP CC(=O)N1CC[C@@H]([NH2+]C2CC[NH+](C(C)(C)CC(C)(C)C)CC2)C1 ZINC000449189909 297420280 /nfs/dbraw/zinc/42/02/80/297420280.db2.gz VPGQXGKZHLMQIL-QGZVFWFLSA-N 2 0 323.525 2.876 20 0 DFADRP CCO[C@H](CC[NH+](C)C)C[NH2+]C1CCC(CSC)CC1 ZINC000449219865 297425091 /nfs/dbraw/zinc/42/50/91/297425091.db2.gz FNCVNASQUTZOJF-UYSNPLJNSA-N 2 0 302.528 2.855 20 0 DFADRP Cc1ccc([C@H](CNC(=O)C[C@@H]2CCCC[C@H]2[NH3+])[NH+](C)C)cc1 ZINC000449331263 297447613 /nfs/dbraw/zinc/44/76/13/297447613.db2.gz XWAOUGHCBREUGE-KSZLIROESA-N 2 0 317.477 2.622 20 0 DFADRP C[C@@H](Cc1cnccn1)[NH2+]Cc1ccc(C[NH+]2CCCC2)cc1 ZINC000453083042 298060331 /nfs/dbraw/zinc/06/03/31/298060331.db2.gz LDZXDMSSLJATHK-INIZCTEOSA-N 2 0 310.445 2.793 20 0 DFADRP O[C@H](C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H]2CCC[C@H]21)C(F)F ZINC000453123049 298065052 /nfs/dbraw/zinc/06/50/52/298065052.db2.gz FPVOWEALZRWCFT-YLFCFFPRSA-N 2 0 324.415 2.645 20 0 DFADRP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]CCOc1ccc(F)c(Cl)c1 ZINC000453260197 298077191 /nfs/dbraw/zinc/07/71/91/298077191.db2.gz CSYKJZATJNSNNU-ABAIWWIYSA-N 2 0 300.805 2.788 20 0 DFADRP CO[C@H](C[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@@H]21)Cc1ccccc1 ZINC000453268237 298078991 /nfs/dbraw/zinc/07/89/91/298078991.db2.gz NTTYWVTYVNWTJK-MANSERQUSA-N 2 0 302.462 2.707 20 0 DFADRP COC[C@H](C[NH2+][C@H]1CC[N@H+](C)C[C@H]1C)c1ccc(Cl)cc1 ZINC000453313948 298082792 /nfs/dbraw/zinc/08/27/92/298082792.db2.gz DZGFTEDHBSZOOF-KMFMINBZSA-N 2 0 310.869 3.000 20 0 DFADRP CO[C@@H]1CCC[C@H]1[NH2+][C@H](C)c1cccc(OCC[NH+](C)C)c1 ZINC000453331365 298083784 /nfs/dbraw/zinc/08/37/84/298083784.db2.gz TYHNRZDMHSCJLR-ZTFGCOKTSA-N 2 0 306.450 2.845 20 0 DFADRP CC[C@H](O)[C@H](CC)[NH2+][C@H](C)c1ccc(OCC[NH+](C)C)cc1 ZINC000453338863 298084785 /nfs/dbraw/zinc/08/47/85/298084785.db2.gz BFCUESIDVJUWKX-JLSDUUJJSA-N 2 0 308.466 2.827 20 0 DFADRP CCOC(=O)[C@@H]1CC[C@@H]([NH2+]CCCC[N@H+](C)C2CC2)C[C@H]1C ZINC000453411658 298091690 /nfs/dbraw/zinc/09/16/90/298091690.db2.gz VWRAHJDPVKHOKD-BFYDXBDKSA-N 2 0 310.482 2.818 20 0 DFADRP Cc1cnc(CC[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)cn1 ZINC000453418529 298092812 /nfs/dbraw/zinc/09/28/12/298092812.db2.gz YHJYMQGJNALVNE-UZLBHIALSA-N 2 0 324.472 2.828 20 0 DFADRP CCn1ccnc1[C@H](C)NC(=O)N(C)CC[NH+](C(C)C)C(C)C ZINC000455460177 298363458 /nfs/dbraw/zinc/36/34/58/298363458.db2.gz HNZDRBBFPKGGAS-HNNXBMFYSA-N 2 0 323.485 2.724 20 0 DFADRP COC(=O)N1CCC[C@H]([C@H](C)[NH2+][C@@H]2C[C@@H]([NH3+])c3ccccc32)C1 ZINC000496283795 300040796 /nfs/dbraw/zinc/04/07/96/300040796.db2.gz MLLJBHHACJZDFK-WRFANHODSA-N 2 0 317.433 2.588 20 0 DFADRP CCC[N@H+](C)C[C@@H]1CCN(CCCNC(=O)OC(C)(C)C)C1 ZINC000496350500 300050646 /nfs/dbraw/zinc/05/06/46/300050646.db2.gz NRSPPBQBKSYNHN-HNNXBMFYSA-N 2 0 313.486 2.565 20 0 DFADRP C[C@H]([NH2+]CCC[C@@H]1CCC[NH2+]1)c1cccc(N2CCOC2=O)c1 ZINC000496460708 300066271 /nfs/dbraw/zinc/06/62/71/300066271.db2.gz LRODWADDJTTYJQ-GOEBONIOSA-N 2 0 317.433 2.826 20 0 DFADRP C[N@H+](CCCC[NH2+]C1CC(NC(=O)OC(C)(C)C)C1)C1CC1 ZINC000496977978 300141768 /nfs/dbraw/zinc/14/17/68/300141768.db2.gz KSSGBMKSOYINPX-UHFFFAOYSA-N 2 0 311.470 2.506 20 0 DFADRP C[C@@H]([NH2+]C1CCC([NH3+])CC1)c1cccc(N2CCOC2=O)c1 ZINC000497029637 300149598 /nfs/dbraw/zinc/14/95/98/300149598.db2.gz RSDNTVOARZMOPT-LRVUVFPRSA-N 2 0 303.406 2.564 20 0 DFADRP COC(=O)[C@@H]1C[C@H](C2CCCCC2)CN1CC[C@H]1CCC[N@@H+]1C ZINC000502903417 300218617 /nfs/dbraw/zinc/21/86/17/300218617.db2.gz DEIXDRGWTAFPAC-KSZLIROESA-N 2 0 322.493 2.915 20 0 DFADRP C[C@@H]1C[C@H](CC[NH2+]CC2(C)COC2)C[N@@H+]1Cc1ccccc1 ZINC000512044623 300252062 /nfs/dbraw/zinc/25/20/62/300252062.db2.gz GYVMOZYXUAAMGE-AEFFLSMTSA-N 2 0 302.462 2.913 20 0 DFADRP C[C@H]1C[C@H](CC[NH2+]Cc2ccnn2C)C[N@@H+]1Cc1ccccc1 ZINC000513493594 300257771 /nfs/dbraw/zinc/25/77/71/300257771.db2.gz BNXFQEUTLLGBTN-WMZOPIPTSA-N 2 0 312.461 2.810 20 0 DFADRP c1c2ccccc2oc1CN[C@@H]1CCOC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000514666959 300265129 /nfs/dbraw/zinc/26/51/29/300265129.db2.gz DRZPSEKLZNBRIW-BRWVUGGUSA-N 2 0 300.402 2.680 20 0 DFADRP [NH3+][C@H]1CCC[C@@H]([NH2+]C2CCN(Cc3ccc(F)cc3)CC2)C1 ZINC000515311552 300300191 /nfs/dbraw/zinc/30/01/91/300300191.db2.gz NMDAMPPGSVJKND-FUHWJXTLSA-N 2 0 305.441 2.650 20 0 DFADRP CCN(CC)c1ncc(C[NH2+]Cc2ccc(C[NH3+])cc2)s1 ZINC000516290912 300338487 /nfs/dbraw/zinc/33/84/87/300338487.db2.gz BQLOJRQKNOWKCY-UHFFFAOYSA-N 2 0 304.463 2.738 20 0 DFADRP [NH3+][C@@H]1CCC[C@H](C[NH2+]Cc2c(C3CC3)nc3sccn23)C1 ZINC000516551189 300348310 /nfs/dbraw/zinc/34/83/10/300348310.db2.gz URAXDZTYOONLNL-WCQYABFASA-N 2 0 304.463 2.880 20 0 DFADRP CCOC[C@@H](O)C[NH2+]Cc1ccccc1C[N@@H+]1CCCC[C@H]1C ZINC000517025135 300377888 /nfs/dbraw/zinc/37/78/88/300377888.db2.gz UFBYOCGABZRCPW-APWZRJJASA-N 2 0 320.477 2.548 20 0 DFADRP CC(C)[NH+](CCCNC(=O)[C@@H]([NH3+])CC1CCCCC1)C(C)C ZINC000517028428 300378663 /nfs/dbraw/zinc/37/86/63/300378663.db2.gz FXZQSQYCRKGLQB-KRWDZBQOSA-N 2 0 311.514 2.909 20 0 DFADRP Cc1ccc(C[NH2+][C@@H]2CCCC[C@H]2C[NH3+])c(O[C@H]2CCOC2)c1 ZINC000517123103 300383893 /nfs/dbraw/zinc/38/38/93/300383893.db2.gz QQEZLVOEMZBBEG-RYQLBKOJSA-N 2 0 318.461 2.770 20 0 DFADRP COCCCOc1cc(C)ccc1C[NH2+][C@@H]1CCC[C@@H]([NH3+])C1 ZINC000518217611 300420249 /nfs/dbraw/zinc/42/02/49/300420249.db2.gz SRCXKROWUZWVHT-IAGOWNOFSA-N 2 0 306.450 2.770 20 0 DFADRP C[C@@H]([NH2+]Cc1cccc(NC(=O)C2CCC2)c1)[C@H]1CC[NH2+]C1 ZINC000518727315 300430268 /nfs/dbraw/zinc/43/02/68/300430268.db2.gz LUIZRKYQJLRDDW-CJNGLKHVSA-N 2 0 301.434 2.513 20 0 DFADRP Fc1ccc([C@@H](C[C@H]2CCOC2)[NH2+]CC2CC[NH2+]CC2)cc1 ZINC000519537617 300456896 /nfs/dbraw/zinc/45/68/96/300456896.db2.gz HNAWXUDNLLZLSP-CRAIPNDOSA-N 2 0 306.425 2.883 20 0 DFADRP C[C@H](N[C@H](C[NH+](C)C)c1ccc(Cl)cc1)[C@@H]1CCC[NH2+]C1 ZINC000520564870 300501952 /nfs/dbraw/zinc/50/19/52/300501952.db2.gz GNHPWJQWFGCDGJ-YSVLISHTSA-N 2 0 309.885 2.920 20 0 DFADRP CN1CC[NH+](CCCC[NH2+]Cc2ccc(C(F)F)cc2)CC1 ZINC000525981470 300615808 /nfs/dbraw/zinc/61/58/08/300615808.db2.gz FYTSMTGIIMIPJD-UHFFFAOYSA-N 2 0 311.420 2.741 20 0 DFADRP CCC(F)(F)C(C)(C)C[NH2+]C1CCN(CC[NH+](C)C)CC1 ZINC000527637263 300665003 /nfs/dbraw/zinc/66/50/03/300665003.db2.gz XJVKZVZNFFLQLC-UHFFFAOYSA-N 2 0 305.457 2.674 20 0 DFADRP C[C@@H]([NH2+]CCc1ccc(OCC[NH+](C)C)cc1)[C@@H]1CC12CC2 ZINC000527857986 300701975 /nfs/dbraw/zinc/70/19/75/300701975.db2.gz GHBVYLBOCKHCSY-QAPCUYQASA-N 2 0 302.462 2.948 20 0 DFADRP Cn1cc2ccc(C[NH2+][C@@H]3CCC[C@H]3[C@H]3CCCC[NH2+]3)cc2n1 ZINC000530217925 301030348 /nfs/dbraw/zinc/03/03/48/301030348.db2.gz JDZLEAAKRUZSHI-RCCFBDPRSA-N 2 0 312.461 2.974 20 0 DFADRP O[C@@H](C[NH2+]C[C@H]1CCN1C1CCCCC1)c1ccccc1F ZINC000530234931 301032731 /nfs/dbraw/zinc/03/27/31/301032731.db2.gz AWLZPQMCKQOXSL-QAPCUYQASA-N 2 0 306.425 2.856 20 0 DFADRP Clc1cccc(C[NH+]2CCC(CO[C@H]3CC[NH2+]C3)CC2)c1 ZINC000530238950 301033327 /nfs/dbraw/zinc/03/33/27/301033327.db2.gz QONAZQICKSNCON-KRWDZBQOSA-N 2 0 308.853 2.931 20 0 DFADRP C[C@@H]1C[NH+](CCCC[NH2+]Cc2ccc3[nH]cnc3c2)C[C@@H](C)O1 ZINC000530722861 301065128 /nfs/dbraw/zinc/06/51/28/301065128.db2.gz DAPMPMAEHLFJSY-HUUCEWRRSA-N 2 0 316.449 2.542 20 0 DFADRP C[C@@H]1CC[N@H+](CCNC2CC[NH+]([C@@H]3CCCC[C@@H]3C)CC2)C1 ZINC000531984236 301123139 /nfs/dbraw/zinc/12/31/39/301123139.db2.gz POAXBUUFVAYHEZ-ZIFCJYIRSA-N 2 0 307.526 2.961 20 0 DFADRP c1cnn(-c2cccc(C[NH2+]C3CC[NH+](C4CCC4)CC3)c2)c1 ZINC000532113091 301131553 /nfs/dbraw/zinc/13/15/53/301131553.db2.gz GNEXRHZTYHZOMX-UHFFFAOYSA-N 2 0 310.445 2.979 20 0 DFADRP COCCN1CCC([NH2+][C@H](C)c2ccc(C)cc2OC)CC1 ZINC000532212153 301136832 /nfs/dbraw/zinc/13/68/32/301136832.db2.gz WTYNESDESNETQE-OAHLLOKOSA-N 2 0 306.450 2.765 20 0 DFADRP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@@H]1CCc2c1cccc2Cl ZINC000532231212 301138312 /nfs/dbraw/zinc/13/83/12/301138312.db2.gz HDHPZZMGWQQQRD-CXAGYDPISA-N 2 0 307.869 2.553 20 0 DFADRP C[NH+](C)C1CCN(CC[NH2+][C@@H]2CCc3c2cccc3Cl)CC1 ZINC000532248251 301139405 /nfs/dbraw/zinc/13/94/05/301139405.db2.gz ONEHWSKQAQBLEI-GOSISDBHSA-N 2 0 321.896 2.943 20 0 DFADRP CC[C@H]1CCC[C@@H]1[NH2+]Cc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000532451982 301153585 /nfs/dbraw/zinc/15/35/85/301153585.db2.gz NBDUSDFEBZXWKQ-IRXDYDNUSA-N 2 0 302.466 2.502 20 0 DFADRP Cc1cc(C)n(CCC[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)n1 ZINC000318487783 301239625 /nfs/dbraw/zinc/23/96/25/301239625.db2.gz ROCAYGCNXKYRRW-OKZBNKHCSA-N 2 0 304.482 2.790 20 0 DFADRP C[C@@H](C[NH2+][C@H]1CCCc2ccc(Cl)cc21)N1CC[NH+](C)CC1 ZINC000534970635 301240389 /nfs/dbraw/zinc/24/03/89/301240389.db2.gz ATSUDVGTKVOPEP-KSSFIOAISA-N 2 0 321.896 2.943 20 0 DFADRP C[N@@H+](Cc1cnc(-c2ccccc2)nc1)CC1CC[NH+](C)CC1 ZINC000537636401 301306684 /nfs/dbraw/zinc/30/66/84/301306684.db2.gz MFRKZXFBFUIPES-UHFFFAOYSA-N 2 0 310.445 2.917 20 0 DFADRP C[C@@H]1C[C@@H](CC[NH2+]C2CCN(C)CC2)C[N@@H+]1Cc1ccccc1 ZINC000540141401 301358258 /nfs/dbraw/zinc/35/82/58/301358258.db2.gz LLFDNOSKTCNKDL-IEBWSBKVSA-N 2 0 315.505 2.971 20 0 DFADRP C(C1CC1)[NH+]1CCC([NH2+][C@@H]2CCOC3(CCSCC3)C2)CC1 ZINC000540395631 301362389 /nfs/dbraw/zinc/36/23/89/301362389.db2.gz XGLDBKIGIJOLBR-QGZVFWFLSA-N 2 0 324.534 2.895 20 0 DFADRP CCc1ccc([C@H](CNC(=O)CCCC[NH+](C)C)[NH+](C)C)cc1 ZINC000552118710 301681840 /nfs/dbraw/zinc/68/18/40/301681840.db2.gz SKKOOUATVRFZDB-SFHVURJKSA-N 2 0 319.493 2.700 20 0 DFADRP Cc1cc(N(C)[C@H]2CC[NH2+]C2)c2cc(OC(F)F)ccc2[nH+]1 ZINC000561264780 301930639 /nfs/dbraw/zinc/93/06/39/301930639.db2.gz QPMRDWOKQZXIAS-NSHDSACASA-N 2 0 307.344 2.943 20 0 DFADRP COc1ccc([C@H](C[NH3+])C[NH2+][C@H]2CCCC23CCOCC3)cc1 ZINC000562838150 302008002 /nfs/dbraw/zinc/00/80/02/302008002.db2.gz ASHAVDSSXZPFLW-AEFFLSMTSA-N 2 0 318.461 2.676 20 0 DFADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+][C@@H]1CCCC[C@@H]1N1CCOCC1 ZINC000562958973 302017962 /nfs/dbraw/zinc/01/79/62/302017962.db2.gz ZSFIWHHIEYJBBY-HCXYKTFWSA-N 2 0 323.525 2.530 20 0 DFADRP C[C@H]([NH3+])[C@H]1COCC[C@@H]1[NH2+]Cc1cccc(-c2ccccn2)c1 ZINC000562959518 302018357 /nfs/dbraw/zinc/01/83/57/302018357.db2.gz WBZVEEUKTKFMHT-YJLNNSPDSA-N 2 0 311.429 2.591 20 0 DFADRP c1ccc(C[N@H+]2CCC[C@H]3CN(Cc4cnccn4)CC[C@@H]32)cc1 ZINC000563090959 302036558 /nfs/dbraw/zinc/03/65/58/302036558.db2.gz IIICJVUYZSVDDE-ICSRJNTNSA-N 2 0 322.456 2.963 20 0 DFADRP Cc1ccc(C[NH+]2CC[C@H](C[N@@H+](C)CC3(O)CCC3)C2)s1 ZINC000563217397 302051162 /nfs/dbraw/zinc/05/11/62/302051162.db2.gz OSKHLRNLFXQSBD-OAHLLOKOSA-N 2 0 308.491 2.725 20 0 DFADRP Cc1cc(NC(=O)N[C@]2(C)CC[N@H+](Cc3ccccc3)C2)ccn1 ZINC000563226256 302052609 /nfs/dbraw/zinc/05/26/09/302052609.db2.gz WIEMKGKEGMYLRW-LJQANCHMSA-N 2 0 324.428 2.598 20 0 DFADRP CCc1cccc(C[NH+]2CCC(C[NH+]3CCN(C)CC3)CC2)c1 ZINC000563256590 302055206 /nfs/dbraw/zinc/05/52/06/302055206.db2.gz CDOVILSUUSNKCJ-UHFFFAOYSA-N 2 0 315.505 2.708 20 0 DFADRP C[NH+](C)C1CC([NH2+]C2CCN(Cc3ccccc3Cl)CC2)C1 ZINC000563419459 302070281 /nfs/dbraw/zinc/07/02/81/302070281.db2.gz WFHURWJDNWKTRE-UHFFFAOYSA-N 2 0 321.896 2.987 20 0 DFADRP CC[NH+]1CCN(c2ccc(N[C@H]3CCC[C@@H]([NH3+])C3)c(C)c2)CC1 ZINC000563425027 302071690 /nfs/dbraw/zinc/07/16/90/302071690.db2.gz ODYXVDSKGFRIBH-SJORKVTESA-N 2 0 316.493 2.819 20 0 DFADRP C[C@H]([NH2+]CCc1nc(-c2ccccn2)cs1)[C@@H]1CCC[NH2+]C1 ZINC000563446117 302073806 /nfs/dbraw/zinc/07/38/06/302073806.db2.gz WBHNJSKKDCOLEK-UONOGXRCSA-N 2 0 316.474 2.725 20 0 DFADRP Cc1ccc(C2(C[NH2+]C[C@H](O)CN(C)C3CC3)CCC2)cc1C ZINC000563881617 302105478 /nfs/dbraw/zinc/10/54/78/302105478.db2.gz DXEUJUXTUVEEFQ-IBGZPJMESA-N 2 0 316.489 2.770 20 0 DFADRP CC[N@@H+]1CC[C@H](N(C)C(=O)CC[C@H]([NH3+])c2ccccc2)C[C@@H]1C ZINC000563961216 302112499 /nfs/dbraw/zinc/11/24/99/302112499.db2.gz XMTOBSNLPFCVBI-SZMVWBNQSA-N 2 0 317.477 2.798 20 0 DFADRP Cc1ccc(C[N@H+]2CC[C@@H](CN(C)Cc3cnn(C)c3)C2)s1 ZINC000564293260 302126441 /nfs/dbraw/zinc/12/64/41/302126441.db2.gz CQHIQSYVGZRSCX-HNNXBMFYSA-N 2 0 318.490 2.744 20 0 DFADRP OCCCN1CCC[C@H]1C[NH2+][C@H](CC1CC1)c1ccccc1 ZINC000564292490 302126692 /nfs/dbraw/zinc/12/66/92/302126692.db2.gz FKHRPQAYZQUWFM-RBUKOAKNSA-N 2 0 302.462 2.964 20 0 DFADRP c1cc(CC[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)cc2c1OCO2 ZINC000564823541 302161225 /nfs/dbraw/zinc/16/12/25/302161225.db2.gz DLMUJDXMXAXGDD-BRWVUGGUSA-N 2 0 316.445 2.858 20 0 DFADRP CCOC[C@@H](O)C[NH2+]Cc1ccccc1C[NH+]1CCCCCC1 ZINC000564856497 302165053 /nfs/dbraw/zinc/16/50/53/302165053.db2.gz MCHZVINJTRKPLH-IBGZPJMESA-N 2 0 320.477 2.550 20 0 DFADRP COc1ccc([C@H](C[NH3+])C[N@@H+]2CCC[C@H]2[C@@H]2CCCOC2)cc1 ZINC000564989555 302179491 /nfs/dbraw/zinc/17/94/91/302179491.db2.gz RBLDRGMAXLUOOM-LMMKCTJWSA-N 2 0 318.461 2.629 20 0 DFADRP C[N@@H+]1CCC[C@H](CC[NH2+]C[C@@H](O)Cc2cccc(Cl)c2)C1 ZINC000565770479 302241358 /nfs/dbraw/zinc/24/13/58/302241358.db2.gz WDUVVRBKTVNJBZ-PBHICJAKSA-N 2 0 310.869 2.565 20 0 DFADRP C[C@H]1CCCC[N@@H+]1CCCNC(=O)c1ccccc1C[NH+](C)C ZINC000565809697 302243515 /nfs/dbraw/zinc/24/35/15/302243515.db2.gz DXEHRDRWDFRSQQ-INIZCTEOSA-N 2 0 317.477 2.743 20 0 DFADRP C[C@@]1(C(=O)Nc2cccc(C[NH+]3CCCCC3)c2)CCC[NH2+]1 ZINC000565953309 302250500 /nfs/dbraw/zinc/25/05/00/302250500.db2.gz DTBMGKPJSULDQT-SFHVURJKSA-N 2 0 301.434 2.753 20 0 DFADRP [NH3+][C@@H]1CCC[C@H]([NH2+]Cc2ccc(NC(=O)c3cccnc3)cc2)C1 ZINC000566020537 302254107 /nfs/dbraw/zinc/25/41/07/302254107.db2.gz TZYOLWWKXSQHHY-AEFFLSMTSA-N 2 0 324.428 2.693 20 0 DFADRP COc1ccccc1OCC[NH2+][C@H](C)c1ccc(C[NH3+])nc1C ZINC000566089374 302258398 /nfs/dbraw/zinc/25/83/98/302258398.db2.gz HXBQKQDOCBXYBM-CYBMUJFWSA-N 2 0 315.417 2.587 20 0 DFADRP Cc1nc(CNCc2cnc(C)n2C)sc1Br ZINC000566690376 302304964 /nfs/dbraw/zinc/30/49/64/302304964.db2.gz OMPDSCHHDPWEOX-UHFFFAOYSA-N 2 0 315.240 2.546 20 0 DFADRP C[C@@H]1C[C@@H]1c1ccc(CN[C@@H]2CCOC[C@H]2[C@@H]2CCC[NH2+]2)o1 ZINC000566732218 302308029 /nfs/dbraw/zinc/30/80/29/302308029.db2.gz GKVYIOKJVHCNQL-YYESSZKYSA-N 2 0 304.434 2.650 20 0 DFADRP C[C@H](NC(=O)C[N@@H+]1CCC(C)(C)C1)[C@@H](c1ccccc1)[NH+](C)C ZINC000566866401 302318381 /nfs/dbraw/zinc/31/83/81/302318381.db2.gz SHXSHVDUDIRSMX-YJBOKZPZSA-N 2 0 317.477 2.526 20 0 DFADRP [NH3+][C@@H]1CCC[C@@H]([NH2+]CCC2CCN(CC(F)(F)F)CC2)C1 ZINC000566865851 302318507 /nfs/dbraw/zinc/31/85/07/302318507.db2.gz FQPXWHCKGUUGSP-ZIAGYGMSSA-N 2 0 307.404 2.510 20 0 DFADRP COc1cc(F)c(CN(C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc1OC ZINC000567394704 302356161 /nfs/dbraw/zinc/35/61/61/302356161.db2.gz HLVCMVOMVJQFNV-YIONKMFJSA-N 2 0 322.424 2.900 20 0 DFADRP COC1CC[NH+](C2(CN[C@@H]3CCCCC[C@@H]3[NH3+])CCCC2)CC1 ZINC000567579877 302369549 /nfs/dbraw/zinc/36/95/49/302369549.db2.gz OWKVXHUZBCTDCZ-ZWKOTPCHSA-N 3 0 323.525 2.660 20 0 DFADRP C[C@H]([NH2+]C[C@H]1CCCN(c2ccccc2)C1)[C@@H]1CCC[NH2+]C1 ZINC000567639989 302375255 /nfs/dbraw/zinc/37/52/55/302375255.db2.gz UALRPBPGIXNUEM-RCCFBDPRSA-N 2 0 301.478 2.881 20 0 DFADRP Cc1ncc2c(n1)CC[C@H]([NH2+][C@@H](C)C[C@H]1CCCCC[NH2+]1)C2 ZINC000567641218 302376048 /nfs/dbraw/zinc/37/60/48/302376048.db2.gz OQILYIHYFRBRIX-XKQJLSEDSA-N 2 0 302.466 2.543 20 0 DFADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+][C@@H](c1nnc[nH]1)C1CCCCC1 ZINC000567655276 302376234 /nfs/dbraw/zinc/37/62/34/302376234.db2.gz XAUQHUGVHAJBKW-AKZYDZMLSA-N 2 0 303.454 2.532 20 0 DFADRP COc1ccc(OC2CC[NH+](C[C@@H]3CCC[NH2+]C3)CC2)cc1 ZINC000567871576 302395247 /nfs/dbraw/zinc/39/52/47/302395247.db2.gz SNCVNTYWPHTQJS-OAHLLOKOSA-N 2 0 304.434 2.538 20 0 DFADRP [NH3+][C@@H]1CCC[C@H]([NH2+]Cc2c(Cl)cccc2-n2ccnc2)C1 ZINC000569018691 302492280 /nfs/dbraw/zinc/49/22/80/302492280.db2.gz CQWNTAIBNWGIRN-OLZOCXBDSA-N 2 0 304.825 2.885 20 0 DFADRP CC[NH+](CC)Cc1cccc(C[NH2+]C[C@H](O)C(F)(F)F)c1 ZINC000571432849 302618117 /nfs/dbraw/zinc/61/81/17/302618117.db2.gz YROMULGSDXGQBG-AWEZNQCLSA-N 2 0 304.356 2.541 20 0 DFADRP CC[C@@H]([NH2+]C1CCC(c2nc(C)no2)CC1)[C@@H]1CCCC[NH2+]1 ZINC000572026876 302640743 /nfs/dbraw/zinc/64/07/43/302640743.db2.gz IHSLEBMGWKKOHG-FJBKBRRZSA-N 2 0 306.454 2.915 20 0 DFADRP COc1cc2c(cc1C[NH2+]C1CCC([NH+](C)C)CC1)O[C@H](C)C2 ZINC000573347199 302701774 /nfs/dbraw/zinc/70/17/74/302701774.db2.gz YDICUMRULFXITE-NVPAJSRCSA-N 2 0 318.461 2.981 20 0 DFADRP C[C@H](CC[NH2+][C@H](C)C1CCOCC1)[NH2+][C@@H](C)C1CCOCC1 ZINC000179877442 316020588 /nfs/dbraw/zinc/02/05/88/316020588.db2.gz MOKGTHXSGBNBQD-OAGGEKHMSA-N 2 0 312.498 2.574 20 0 DFADRP CCO[C@H]1C[C@H]([NH2+]Cc2ccccc2OCC[NH+](C)C)C1(C)C ZINC000181627172 316066013 /nfs/dbraw/zinc/06/60/13/316066013.db2.gz NAWQQRMDSHCQGU-ROUUACIJSA-N 2 0 320.477 2.920 20 0 DFADRP CC(C)(C)[NH2+]CCNC(=O)[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000182710249 316114635 /nfs/dbraw/zinc/11/46/35/316114635.db2.gz SRBNQEIDXMGYOP-KRWDZBQOSA-N 2 0 317.477 2.545 20 0 DFADRP COc1ccc(C[C@H](C)C[NH2+]C[C@@H]2CCC[N@H+](C)C2)cc1F ZINC000187351405 316208781 /nfs/dbraw/zinc/20/87/81/316208781.db2.gz WREQTUHKMZALIN-HOCLYGCPSA-N 2 0 308.441 2.944 20 0 DFADRP COC[C@H](C)C[NH2+]Cc1ccc(C[NH+]2C[C@H](C)O[C@@H](C)C2)cc1 ZINC000187644750 316213083 /nfs/dbraw/zinc/21/30/83/316213083.db2.gz OKMJRCOERNSHIJ-IKGGRYGDSA-N 2 0 320.477 2.668 20 0 DFADRP CCN(C)CC[NH2+][C@@H](C)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000299986682 316235976 /nfs/dbraw/zinc/23/59/76/316235976.db2.gz NBKINSQTICLUON-GJZGRUSLSA-N 2 0 313.486 2.563 20 0 DFADRP C[N@@H+]1CCC[C@H](C[NH2+][C@H]2CCCN(Cc3ccccc3)C2)C1 ZINC000309563049 316236611 /nfs/dbraw/zinc/23/66/11/316236611.db2.gz TWVQPOLSKWOSBW-MOPGFXCFSA-N 2 0 301.478 2.582 20 0 DFADRP C[NH+](C)CCN(C(=O)CC[C@H]([NH3+])c1ccccc1)C1CCCC1 ZINC000320764738 316254741 /nfs/dbraw/zinc/25/47/41/316254741.db2.gz SLENKYUFLWSCHO-SFHVURJKSA-N 2 0 317.477 2.799 20 0 DFADRP C[NH+](C)CCN(C(=O)CC[C@@H]([NH3+])c1ccccc1)C1CCCC1 ZINC000320764736 316255096 /nfs/dbraw/zinc/25/50/96/316255096.db2.gz SLENKYUFLWSCHO-GOSISDBHSA-N 2 0 317.477 2.799 20 0 DFADRP CC(C)[N@H+](C)CC1CCN(C(=O)C[C@H](C)[C@@H]2CCC[NH2+]C2)CC1 ZINC000321410365 316256949 /nfs/dbraw/zinc/25/69/49/316256949.db2.gz UDPOUMQYBAWEAW-FUHWJXTLSA-N 2 0 323.525 2.591 20 0 DFADRP C[C@H]([NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccc2c(c1)OCCO2 ZINC000337610664 316302038 /nfs/dbraw/zinc/30/20/38/316302038.db2.gz YFLKVYJXVLNBTK-BPUTZDHNSA-N 2 0 302.418 2.735 20 0 DFADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@H](c2ccccc2OC)N(C)C)[C@@H](C)C1 ZINC000345248265 316316698 /nfs/dbraw/zinc/31/66/98/316316698.db2.gz KDYHZYBPYHDWBQ-RYQLBKOJSA-N 2 0 319.493 2.618 20 0 DFADRP C[C@@H](CCN1CC[NH+](C)CC1)[NH2+][C@@H]1CCc2ccc(Cl)cc21 ZINC000349406921 316357176 /nfs/dbraw/zinc/35/71/76/316357176.db2.gz IJMZNFSAKOZJMR-KBXCAEBGSA-N 2 0 321.896 2.943 20 0 DFADRP CC[C@H]([NH2+]CCC[NH+]1CCC(C)CC1)C1(C(=O)OC)CCC1 ZINC000353532795 316535675 /nfs/dbraw/zinc/53/56/75/316535675.db2.gz CYTXYZBWZMLHAF-INIZCTEOSA-N 2 0 310.482 2.820 20 0 DFADRP COC(=O)C[C@@H]1CC[C@H]([NH2+][C@H](CC[NH+](C)C)C(C)(C)C)[C@H]1C ZINC000354332264 316541552 /nfs/dbraw/zinc/54/15/52/316541552.db2.gz HSWVTJNILXPNMX-YHUYYLMFSA-N 2 0 312.498 2.920 20 0 DFADRP CC(C)c1nc(C2([NH2+]C[C@H]3CC[NH2+][C@H](C)C3)CCCC2)no1 ZINC000414703433 316636732 /nfs/dbraw/zinc/63/67/32/316636732.db2.gz JAFYTTNOPFFHMH-KGLIPLIRSA-N 2 0 306.454 2.940 20 0 DFADRP C[C@@H]1C[C@H](C[NH+]2CCC(CCC[NH+]3CCCC3)CC2)CC[NH2+]1 ZINC000414714593 316637782 /nfs/dbraw/zinc/63/77/82/316637782.db2.gz XOCLXOONIAVVMK-IEBWSBKVSA-N 3 0 307.526 2.963 20 0 DFADRP C[C@@H](c1ccsc1)N1CC[NH+](C[C@@H]2CC[NH2+][C@H](C)C2)CC1 ZINC000414714861 316638595 /nfs/dbraw/zinc/63/85/95/316638595.db2.gz QLAYUEOWCFUBLD-OWCLPIDISA-N 2 0 307.507 2.815 20 0 DFADRP Cc1cnccc1OC1CC[NH+](C[C@H]2CC[NH2+][C@@H](C)C2)CC1 ZINC000414740386 316645180 /nfs/dbraw/zinc/64/51/80/316645180.db2.gz LFMUYOJJFXMZQU-HOTGVXAUSA-N 2 0 303.450 2.621 20 0 DFADRP c1ccc([C@@H]2CCCC[C@H]([NH2+]CCCN3CC[NH2+]CC3)C2)cc1 ZINC000414775484 316651014 /nfs/dbraw/zinc/65/10/14/316651014.db2.gz CUGVIKDANYJPNX-UXHICEINSA-N 2 0 315.505 2.988 20 0 DFADRP Clc1ccc([C@@H]2CCC[C@H]2[NH2+]CCCN2CC[NH2+]CC2)cc1 ZINC000414784808 316654575 /nfs/dbraw/zinc/65/45/75/316654575.db2.gz TULSDPPZHPIGJR-ZWKOTPCHSA-N 2 0 321.896 2.861 20 0 DFADRP CSc1ccc(C[NH+]2CCC([C@@H]3OCC[C@H]3[NH3+])CC2)cc1 ZINC000414792372 316659023 /nfs/dbraw/zinc/65/90/23/316659023.db2.gz RWHPTUPVPFKJTA-SJORKVTESA-N 2 0 306.475 2.737 20 0 DFADRP [NH3+][C@@H]1CCO[C@H]1C1CC[NH+](Cc2ccc3ncccc3c2)CC1 ZINC000414791802 316659175 /nfs/dbraw/zinc/65/91/75/316659175.db2.gz RCNJKBZCERYQLU-MJGOQNOKSA-N 2 0 311.429 2.563 20 0 DFADRP [NH3+]C[C@H]1CCCC[C@H]1[NH2+]Cc1ccc(Oc2cnccn2)cc1 ZINC000414792952 316659794 /nfs/dbraw/zinc/65/97/94/316659794.db2.gz CUFUQGKDVXBWRP-NVXWUHKLSA-N 2 0 312.417 2.876 20 0 DFADRP COc1cc(Br)ccc1C[NH2+][C@H]1CCC[C@@H]1C[NH3+] ZINC000414793539 316659863 /nfs/dbraw/zinc/65/98/63/316659863.db2.gz DRJWAWXBUMIRRM-MFKMUULPSA-N 2 0 313.239 2.675 20 0 DFADRP C[C@@H]([NH3+])c1ccc(C[NH2+]C2CCN(Cc3cccnc3)CC2)cc1 ZINC000414808078 316664215 /nfs/dbraw/zinc/66/42/15/316664215.db2.gz JXCSCFNQWHCCEE-MRXNPFEDSA-N 2 0 324.472 2.856 20 0 DFADRP CCc1nn(C)c(CC)c1C[NH2+]Cc1ccc([C@@H](C)[NH3+])cc1 ZINC000414811623 316665133 /nfs/dbraw/zinc/66/51/33/316665133.db2.gz PZMREFPFYFIUIQ-CYBMUJFWSA-N 2 0 300.450 2.854 20 0 DFADRP C[C@@H](NC(=O)CCC[NH+]1CCC([NH3+])CC1)[C@@H](C)C1CCCCC1 ZINC000433126670 316878751 /nfs/dbraw/zinc/87/87/51/316878751.db2.gz DKLHWWBMLWUCEY-HZPDHXFCSA-N 2 0 323.525 2.911 20 0 DFADRP CC[C@H](C)[C@@H](C)N(C(=O)CCC[NH+]1CCC([NH3+])CC1)C1CC1 ZINC000433136938 316880127 /nfs/dbraw/zinc/88/01/27/316880127.db2.gz RIDVTBYUCXOFSI-LSDHHAIUSA-N 2 0 309.498 2.615 20 0 DFADRP [NH3+]C1CC[NH+](CCCC(=O)Nc2ccc(F)c(Cl)c2)CC1 ZINC000433168259 316884858 /nfs/dbraw/zinc/88/48/58/316884858.db2.gz RBHZYVDUOXIDOI-UHFFFAOYSA-N 2 0 313.804 2.621 20 0 DFADRP CCc1cc(N2CCC(CC[NH+]3CCOCC3)CC2)cc[nH+]1 ZINC000450287682 317080342 /nfs/dbraw/zinc/08/03/42/317080342.db2.gz KRNRTLFXFGLBFW-UHFFFAOYSA-N 2 0 303.450 2.583 20 0 DFADRP C[C@@H](O)C[N@H+](C)C1CC[NH+](CC/C=C\c2ccccc2)CC1 ZINC000450376141 317087609 /nfs/dbraw/zinc/08/76/09/317087609.db2.gz ZTGPEJOMBZMOGC-XBMZPMPPSA-N 2 0 302.462 2.867 20 0 DFADRP COC1([C@H](C)[NH2+]CCCC[NH+]2CCC(C)CC2)CCOCC1 ZINC000453068224 317159101 /nfs/dbraw/zinc/15/91/01/317159101.db2.gz XZHFSWZOYMPHGE-KRWDZBQOSA-N 2 0 312.498 2.672 20 0 DFADRP CCC[C@H]([NH2+]Cc1cccnc1N1CC[NH+](C)CC1)C1CCC1 ZINC000453075861 317159116 /nfs/dbraw/zinc/15/91/16/317159116.db2.gz LNUNLPZUQCJRIH-SFHVURJKSA-N 2 0 316.493 2.892 20 0 DFADRP C[C@H]1CC[C@H]([NH2+]CCCN2CC[NH+](C)CC2)c2sccc21 ZINC000453102115 317162878 /nfs/dbraw/zinc/16/28/78/317162878.db2.gz ZCHJWGGXLCXIFT-HOCLYGCPSA-N 2 0 307.507 2.914 20 0 DFADRP O[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+][C@@H](C2CC2)C2CCC2)CC1 ZINC000453161522 317166828 /nfs/dbraw/zinc/16/68/28/317166828.db2.gz ONPKNLRDMDADNI-GUDVDZBRSA-N 2 0 306.494 2.923 20 0 DFADRP FC1(F)CCC(C[NH+]2CCC(C[NH+]3CCOCC3)CC2)CC1 ZINC000459304761 317316473 /nfs/dbraw/zinc/31/64/73/317316473.db2.gz PGLATSFRCAFEFM-UHFFFAOYSA-N 2 0 316.436 2.856 20 0 DFADRP COCCSCCC[NH2+][C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000488278033 317380306 /nfs/dbraw/zinc/38/03/06/317380306.db2.gz IFHHJTYYPIMKAN-HZPDHXFCSA-N 2 0 314.539 2.999 20 0 DFADRP C[C@H]1C[C@H]1C[N@H+](C)CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000488357987 317386758 /nfs/dbraw/zinc/38/67/58/317386758.db2.gz QTABLNZPZQVYAP-WMZOPIPTSA-N 2 0 307.526 2.771 20 0 DFADRP CCN1CC[NH+](CCCC[NH2+][C@H]2CS[C@@H](C(C)C)C2)CC1 ZINC000488430223 317392406 /nfs/dbraw/zinc/39/24/06/317392406.db2.gz JXEVPBLZTNBIIV-IAGOWNOFSA-N 2 0 313.555 2.524 20 0 DFADRP CCc1cccc(F)c1C[NH2+]CCCC[NH+]1CCN(C)CC1 ZINC000526038005 317736447 /nfs/dbraw/zinc/73/64/47/317736447.db2.gz SMUCGNWDHXEMHK-UHFFFAOYSA-N 2 0 307.457 2.505 20 0 DFADRP CC(C)(C[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1)C(=O)N1CCCC1 ZINC000530226514 317777230 /nfs/dbraw/zinc/77/72/30/317777230.db2.gz RODGDBDUDNLMSI-BRWVUGGUSA-N 2 0 321.509 2.535 20 0 DFADRP Clc1sccc1C[NH+]1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000530240255 317777978 /nfs/dbraw/zinc/77/79/78/317777978.db2.gz CNFQERTUKAJSHY-AWEZNQCLSA-N 2 0 314.882 2.992 20 0 DFADRP Fc1ccc(C[NH+]2CCC(CO[C@@H]3CC[NH2+]C3)CC2)cc1F ZINC000530243776 317778766 /nfs/dbraw/zinc/77/87/66/317778766.db2.gz YRRBDAXPTOVDNM-OAHLLOKOSA-N 2 0 310.388 2.555 20 0 DFADRP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+]CC1(O)CCCCCC1 ZINC000542304502 317815649 /nfs/dbraw/zinc/81/56/49/317815649.db2.gz WJGPRLQQAYJHPR-UHFFFAOYSA-N 2 0 314.433 2.751 20 0 DFADRP CC[NH+]1CCC(C[NH2+][C@@H](c2cnn(C)c2)c2ccccc2)CC1 ZINC000565519252 317923383 /nfs/dbraw/zinc/92/33/83/317923383.db2.gz PDLWMOBHZRFCSR-LJQANCHMSA-N 2 0 312.461 2.831 20 0 DFADRP CC[NH+]1CCN(c2ccccc2N[C@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000571657027 317989116 /nfs/dbraw/zinc/98/91/16/317989116.db2.gz IKTABDCVLRBGQP-HOTGVXAUSA-N 2 0 302.466 2.510 20 0 DFADRP C[C@H]([NH3+])CCC(=O)N1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000573327795 318016604 /nfs/dbraw/zinc/01/66/04/318016604.db2.gz VLXWUERLHFAHQG-JKSUJKDBSA-N 2 0 309.498 2.617 20 0 DFADRP CC(C)C[N@@H+]1CCC[C@@H](C[NH2+]C[C@@H](O)Cc2ccccc2)C1 ZINC000574512340 318022843 /nfs/dbraw/zinc/02/28/43/318022843.db2.gz LMADPDSPJXGEFZ-OALUTQOASA-N 2 0 304.478 2.548 20 0 DFADRP CC(C)C[N@@H+]1CCC[C@H](C[NH2+]C[C@@H](O)Cc2ccccc2)C1 ZINC000574512339 318022850 /nfs/dbraw/zinc/02/28/50/318022850.db2.gz LMADPDSPJXGEFZ-MOPGFXCFSA-N 2 0 304.478 2.548 20 0 DFADRP C[NH+](C)Cc1ccc(NC(=O)[C@@H](C[NH3+])c2ccc(F)cc2)cc1 ZINC000574634389 318029771 /nfs/dbraw/zinc/02/97/71/318029771.db2.gz MFNSRIXWCQXEMY-KRWDZBQOSA-N 2 0 315.392 2.568 20 0 DFADRP C[C@H]([NH2+]Cc1nnc(C2CC[NH2+]CC2)[nH]1)[C@@H](C)C1CCCCC1 ZINC000574803639 318041138 /nfs/dbraw/zinc/04/11/38/318041138.db2.gz OTIPQQUIKNUCSO-KGLIPLIRSA-N 2 0 319.497 2.966 20 0 DFADRP Clc1ccccc1[C@H](CNC1CC[NH2+]CC1)[NH+]1CCCC1 ZINC000574910946 318050096 /nfs/dbraw/zinc/05/00/96/318050096.db2.gz FIPJGTSUDRLZPF-KRWDZBQOSA-N 2 0 307.869 2.819 20 0 DFADRP CC(C)n1ncc2cc(C[NH2+]Cc3ccc(C[NH3+])cc3)cnc21 ZINC000574989242 318055177 /nfs/dbraw/zinc/05/51/77/318055177.db2.gz KBTHTXNPUZMTLV-UHFFFAOYSA-N 2 0 309.417 2.761 20 0 DFADRP CCCCNC(=O)c1ccc(C[NH2+][C@H]2CCC[C@@H]([NH3+])C2)cc1 ZINC000575002462 318056682 /nfs/dbraw/zinc/05/66/82/318056682.db2.gz LIBLQMGWGXNYHO-SJORKVTESA-N 2 0 303.450 2.576 20 0 DFADRP CCCCNC(=O)c1ccc(C[NH2+][C@H]2CCC[C@H]([NH3+])C2)cc1 ZINC000575002461 318056825 /nfs/dbraw/zinc/05/68/25/318056825.db2.gz LIBLQMGWGXNYHO-IRXDYDNUSA-N 2 0 303.450 2.576 20 0 DFADRP C[C@@H]([NH3+])c1ccc(CNC(=O)CC[C@H]2CCCC[N@@H+]2C)cc1 ZINC000575121837 318064992 /nfs/dbraw/zinc/06/49/92/318064992.db2.gz JFEHKLCIMHTQPQ-RHSMWYFYSA-N 2 0 303.450 2.587 20 0 DFADRP C[NH+](CCC(=O)NCCCC[N@@H+](C)C1CC1)C1CCCCC1 ZINC000575843727 318086738 /nfs/dbraw/zinc/08/67/38/318086738.db2.gz FBOTWUAKUFFYMY-UHFFFAOYSA-N 2 0 309.498 2.632 20 0 DFADRP C[C@@H](CC[NH+](C)C)[NH2+]C[C@@H](O)Cc1ccc(C(F)(F)F)cc1 ZINC000575917062 318091410 /nfs/dbraw/zinc/09/14/10/318091410.db2.gz HHZHFYHAUWJXQS-WFASDCNBSA-N 2 0 318.383 2.539 20 0 DFADRP C[C@@H]([NH3+])CCC(=O)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000576460904 318127993 /nfs/dbraw/zinc/12/79/93/318127993.db2.gz IAOQJRZVDSMIGC-CJNGLKHVSA-N 2 0 323.868 2.721 20 0 DFADRP Cc1ccccc1[C@@H]([NH3+])C(=O)N1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000576581152 318135773 /nfs/dbraw/zinc/13/57/73/318135773.db2.gz QFNCYEUIAMEFEC-GOSISDBHSA-N 2 0 317.477 2.574 20 0 DFADRP Cc1cc2c(cc1C)[C@@H]([NH2+]CCOCC[NH+](C)C)CCCO2 ZINC000576662443 318141394 /nfs/dbraw/zinc/14/13/94/318141394.db2.gz ASCTZVKUOSICSJ-KRWDZBQOSA-N 2 0 306.450 2.685 20 0 DFADRP Fc1ccc([C@H]([NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)c2ncc[nH]2)cc1 ZINC000576976973 318163553 /nfs/dbraw/zinc/16/35/53/318163553.db2.gz WPYZZIVANCZOOV-WTTBNOFXSA-N 2 0 314.408 2.616 20 0 DFADRP CC(C)[N@H+](C)C[C@H](O)CN1CC2(CCC2)[C@@H]1c1ccccc1 ZINC000577232151 318180139 /nfs/dbraw/zinc/18/01/39/318180139.db2.gz XGWHVDKFJYOYIU-ROUUACIJSA-N 2 0 302.462 2.915 20 0 DFADRP C[C@@H]1C[C@H](CCNC(=O)CCCC[NH3+])C[N@@H+]1Cc1ccccc1 ZINC000577511106 318198596 /nfs/dbraw/zinc/19/85/96/318198596.db2.gz ZRSUEZKRNNAVET-AEFFLSMTSA-N 2 0 317.477 2.532 20 0 DFADRP CCO[C@@H]1C[C@@H]1[NH2+][C@@H]1CC2(CC[NH+](C)CC2)Oc2ccccc21 ZINC000577574470 318201648 /nfs/dbraw/zinc/20/16/48/318201648.db2.gz DRRLCPYPQGHESN-LZLYRXPVSA-N 2 0 316.445 2.742 20 0 DFADRP C[C@H]([NH2+]Cc1ccc(C[NH+]2CCCC2)cc1)[C@H]1CCC[NH2+]C1 ZINC000577720293 318212387 /nfs/dbraw/zinc/21/23/87/318212387.db2.gz IILVYRXUWDAHSE-LPHOPBHVSA-N 3 0 301.478 2.760 20 0 DFADRP COc1ccc(C[NH2+]CCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)c(F)c1 ZINC000577856169 318221969 /nfs/dbraw/zinc/22/19/69/318221969.db2.gz PMUYRTOEIDNUFD-GASCZTMLSA-N 2 0 324.440 2.813 20 0 DFADRP [NH3+][C@H]1CCC[C@H]([NH2+]CCNc2ncc(Cl)cc2Cl)C1 ZINC000577887674 318224885 /nfs/dbraw/zinc/22/48/85/318224885.db2.gz ZLASPEKEQUPWKO-QWRGUYRKSA-N 2 0 303.237 2.660 20 0 DFADRP CC1(C)[C@@H](O)C[C@@H]1[NH2+]Cc1cccc(C[NH+]2CCCCC2)c1 ZINC000577961384 318229525 /nfs/dbraw/zinc/22/95/25/318229525.db2.gz QQLVARKVAVVQAZ-ROUUACIJSA-N 2 0 302.462 2.922 20 0 DFADRP C[C@@H]1[C@@H]([NH2+]CC2CC[NH2+]CC2)CCCN1Cc1ccccc1 ZINC000578230976 318246726 /nfs/dbraw/zinc/24/67/26/318246726.db2.gz JRKXJBUMVHJGTM-APWZRJJASA-N 2 0 301.478 2.629 20 0 DFADRP CC(C)C[N@@H+]1CCC[C@H](C[NH2+]C[C@@H](O)Cc2ccc(F)cc2)C1 ZINC000578232250 318246837 /nfs/dbraw/zinc/24/68/37/318246837.db2.gz MVSHZASUQCKIRB-MJGOQNOKSA-N 2 0 322.468 2.687 20 0 DFADRP C[C@H]1CN(C)CC[C@H]1[N@H+](C)Cc1cc(-n2ccnc2)cs1 ZINC000578263975 318248882 /nfs/dbraw/zinc/24/88/82/318248882.db2.gz CABNNNNKYBSXJS-XJKSGUPXSA-N 2 0 304.463 2.706 20 0 DFADRP c1cc(N2CCN(CCC[NH2+][C@@H]3CCCC34CC4)CC2)cc[nH+]1 ZINC000578454367 318262302 /nfs/dbraw/zinc/26/23/02/318262302.db2.gz XPPOQVUPTLSHOL-GOSISDBHSA-N 2 0 314.477 2.516 20 0 DFADRP CN1CCC([NH+]2CCC(CC[N@H+](C)CC3(C)CC3)CC2)CC1 ZINC000578945486 318296109 /nfs/dbraw/zinc/29/61/09/318296109.db2.gz WEWOWNBFQVCULU-UHFFFAOYSA-N 2 0 307.526 2.915 20 0 DFADRP COc1c(C)nc(C2CC2)nc1N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000579005228 318301514 /nfs/dbraw/zinc/30/15/14/318301514.db2.gz TUVXDZRTNJOKKG-HNNXBMFYSA-N 2 0 316.449 2.736 20 0 DFADRP [NH3+][C@@H](CCC(=O)N1CC[C@]2(C1)CCC[NH2+]C2)CC1CCCCC1 ZINC000579101299 318307041 /nfs/dbraw/zinc/30/70/41/318307041.db2.gz CVMHJXBHRCBSPV-PKOBYXMFSA-N 2 0 321.509 2.666 20 0 DFADRP CCO[C@@H]1C[C@H]([NH2+]CCC[NH2+]C(C)C)[C@@H]1Oc1ccccc1 ZINC000579100078 318307078 /nfs/dbraw/zinc/30/70/78/318307078.db2.gz IHBAVGGEGPWBSZ-KSZLIROESA-N 2 0 306.450 2.589 20 0 DFADRP C[C@@H]([NH2+]CC1CC[NH2+]CC1)c1ncc(Br)cc1F ZINC000579108248 318307595 /nfs/dbraw/zinc/30/75/95/318307595.db2.gz LGZQKHMKWKPVOG-SECBINFHSA-N 2 0 316.218 2.633 20 0 DFADRP Cc1nn(-c2ccccc2)c(C)c1C[NH2+][C@H](C)[C@H]1CCC[NH2+]C1 ZINC000579225087 318315454 /nfs/dbraw/zinc/31/54/54/318315454.db2.gz BIBJMIJRIMSJOR-PBHICJAKSA-N 2 0 312.461 2.967 20 0 DFADRP [NH3+][C@H]1C[C@@H](c2nc(-c3cccc(C[NH+]4CCCCC4)c3)no2)C1 ZINC000579229544 318315867 /nfs/dbraw/zinc/31/58/67/318315867.db2.gz GZOHEHQWJQHBQS-IYBDPMFKSA-N 2 0 312.417 2.927 20 0 DFADRP C[C@@H]([NH2+]CCOc1ccc(Cl)c(F)c1)[C@@H]1CCC[NH2+]C1 ZINC000579342002 318323594 /nfs/dbraw/zinc/32/35/94/318323594.db2.gz IUTXGXIBFBSBRS-VXGBXAGGSA-N 2 0 300.805 2.836 20 0 DFADRP C[C@H]1CC[N@H+](CC(=O)Nc2cccc(CC[NH+](C)C3CC3)c2)C1 ZINC000579611481 318342868 /nfs/dbraw/zinc/34/28/68/318342868.db2.gz UGBDZZQRDGFAGY-HNNXBMFYSA-N 2 0 315.461 2.604 20 0 DFADRP [NH3+][C@H]1CCC[C@H]([NH2+]CCCc2nc(-c3ccc(F)cc3)no2)C1 ZINC000579733947 318351627 /nfs/dbraw/zinc/35/16/27/318351627.db2.gz PYWFGUXDHBISFV-GJZGRUSLSA-N 2 0 318.396 2.668 20 0 DFADRP Cc1ncc2c(n1)CC[C@H]([NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1)C2 ZINC000579825101 318356295 /nfs/dbraw/zinc/35/62/95/318356295.db2.gz MDCQGHIMNCHACH-OGWHTMIXSA-N 2 0 314.477 2.543 20 0 DFADRP CC(C)[NH+](CCCNC(=O)C[C@H](C)C1CC[NH2+]CC1)C(C)C ZINC000579829449 318357043 /nfs/dbraw/zinc/35/70/43/318357043.db2.gz KGBZBDZJXOFBMC-INIZCTEOSA-N 2 0 311.514 2.637 20 0 DFADRP CC[NH+](CC)CCC[C@H](C)NC(=O)c1ccccc1C[NH+](C)C ZINC000580024933 318369117 /nfs/dbraw/zinc/36/91/17/318369117.db2.gz MWHLUADIMABQFV-INIZCTEOSA-N 2 0 319.493 2.989 20 0 DFADRP COCC1(CC[NH2+][C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)CC1 ZINC000580193313 318382494 /nfs/dbraw/zinc/38/24/94/318382494.db2.gz WENJRVQYXBERJD-APWZRJJASA-N 2 0 316.445 2.649 20 0 DFADRP CC[NH+]1CCC(C[NH2+][C@H](C)c2ccc(-n3cncn3)cc2)CC1 ZINC000580266086 318386323 /nfs/dbraw/zinc/38/63/23/318386323.db2.gz ARWPITMCYWTPCK-OAHLLOKOSA-N 2 0 313.449 2.650 20 0 DFADRP COC(=O)[C@H](C)C[N@H+](CCCn1ccnc1)Cc1ccccc1 ZINC000183171154 323217409 /nfs/dbraw/zinc/21/74/09/323217409.db2.gz ZQJZSZCZRGAFFJ-MRXNPFEDSA-N 2 0 315.417 2.585 20 0 DFADRP C[C@H]1C[C@H]([NH2+]C2CCC([NH3+])CC2)CCN1Cc1ccccc1 ZINC000379634083 323290157 /nfs/dbraw/zinc/29/01/57/323290157.db2.gz PILJVLLAVHGBLR-GWFLUQINSA-N 2 0 301.478 2.899 20 0 DFADRP C[C@@H]1C[C@H](NC[C@H]2CCC[NH2+]C2)CC[N@@H+]1Cc1ccccc1 ZINC000379654581 323290604 /nfs/dbraw/zinc/29/06/04/323290604.db2.gz JAXWBAPARBHONV-NZSAHSFTSA-N 2 0 301.478 2.629 20 0 DFADRP C[C@@H]1C[C@H](N[C@@H]2CCC[NH2+]CC2)CC[N@@H+]1Cc1ccccc1 ZINC000379659136 323290862 /nfs/dbraw/zinc/29/08/62/323290862.db2.gz YTLXWASCLIADFM-BHIYHBOVSA-N 2 0 301.478 2.771 20 0 DFADRP C[C@@H]1C[C@H](N2C[C@@H](C)[C@](C)(C[NH3+])C2)C[N@@H+]1Cc1ccccc1 ZINC000380937453 323292840 /nfs/dbraw/zinc/29/28/40/323292840.db2.gz KOKBRWAMZHNHBN-ZAWLATJESA-N 2 0 301.478 2.566 20 0 DFADRP C[C@@H]1C[C@H](NCCC[NH2+]C2CC2)CC[N@@H+]1Cc1ccccc1 ZINC000382548093 323300690 /nfs/dbraw/zinc/30/06/90/323300690.db2.gz QMYRYCAJSFLADX-VQIMIIECSA-N 2 0 301.478 2.771 20 0 DFADRP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]CCc1ccc(Br)s1 ZINC000382840930 323302280 /nfs/dbraw/zinc/30/22/80/323302280.db2.gz UNCCBWVUBLPJNY-PWSUYJOCSA-N 2 0 317.296 2.983 20 0 DFADRP CCC[N@@H+](Cc1ccccc1)C[C@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC000383550383 323304568 /nfs/dbraw/zinc/30/45/68/323304568.db2.gz GZRKIOUPBQVDIE-PMACEKPBSA-N 2 0 312.457 2.830 20 0 DFADRP C[C@@H]1C[C@@H](C[N@@H+]2CC[C@@H](COCc3ccccc3)C2)CC[NH2+]1 ZINC000384057696 323305376 /nfs/dbraw/zinc/30/53/76/323305376.db2.gz ZFICPRCJNGMAKC-NZSAHSFTSA-N 2 0 302.462 2.913 20 0 DFADRP C[N@H+](Cc1ccccc1)C1(CNC2CC[NH+](C)CC2)CCC1 ZINC000386794732 323319564 /nfs/dbraw/zinc/31/95/64/323319564.db2.gz ARQBXSLALGMXGB-UHFFFAOYSA-N 2 0 301.478 2.725 20 0 DFADRP CN(CC[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1)Cc1ccccc1 ZINC000386870332 323321285 /nfs/dbraw/zinc/32/12/85/323321285.db2.gz KSICQLZDDBXMDB-IPMKNSEASA-N 2 0 301.478 2.629 20 0 DFADRP COc1ccc2c(c1)C[C@@H]([NH2+]C[C@H]1CC[N@@H+](C(C)C)C1)CC2 ZINC000387574359 323326545 /nfs/dbraw/zinc/32/65/45/323326545.db2.gz OMBWQSTXVNXCNS-QAPCUYQASA-N 2 0 302.462 2.872 20 0 DFADRP C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000389849842 323338454 /nfs/dbraw/zinc/33/84/54/323338454.db2.gz UKWYNRNXZZTZJM-VNVJMFPYSA-N 2 0 313.489 2.722 20 0 DFADRP CC(C)(C)CCC[NH2+]C[C@H](O)CN1CCc2ccccc2C1 ZINC000580305428 323366727 /nfs/dbraw/zinc/36/67/27/323366727.db2.gz CFFUQQKPSOTFLH-SFHVURJKSA-N 2 0 304.478 2.822 20 0 DFADRP [NH3+]CCC1CC[NH+](CCCc2nc(-c3ccccc3)no2)CC1 ZINC000580319382 323370297 /nfs/dbraw/zinc/37/02/97/323370297.db2.gz IZDIRLCTLDGPIV-UHFFFAOYSA-N 2 0 314.433 2.730 20 0 DFADRP C[NH+](C)CCCN(CCC[NH+](C)C)Cc1ccc(F)cc1F ZINC000580740770 323428425 /nfs/dbraw/zinc/42/84/25/323428425.db2.gz WXCIZFHSVAHPOB-UHFFFAOYSA-N 2 0 313.436 2.670 20 0 DFADRP CCc1ccccc1NC(=O)[C@H](C)[NH+]1CCC(CC[NH3+])CC1 ZINC000581731167 323565662 /nfs/dbraw/zinc/56/56/62/323565662.db2.gz MSCLTSQOFGQMHP-AWEZNQCLSA-N 2 0 303.450 2.637 20 0 DFADRP [NH3+]CCC1CC[NH+](CCOc2ccc(Cl)c(F)c2)CC1 ZINC000582127325 323621812 /nfs/dbraw/zinc/62/18/12/323621812.db2.gz QGSWKYITHXHPMX-UHFFFAOYSA-N 2 0 300.805 2.919 20 0 DFADRP COc1ccc(C[C@H](C)[NH2+]CCC[NH2+]C(C)C)c(C)c1OC ZINC000582295235 323646866 /nfs/dbraw/zinc/64/68/66/323646866.db2.gz KYFGVLHTJLRGBE-AWEZNQCLSA-N 2 0 308.466 2.921 20 0 DFADRP COc1nc2ccccc2cc1C[NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000582593621 323699396 /nfs/dbraw/zinc/69/93/96/323699396.db2.gz IXGNHHWPFIQKRH-FUHWJXTLSA-N 2 0 311.429 2.721 20 0 DFADRP Cc1ccc(NC(=O)[C@H](C)[NH+]2CCC(CC[NH3+])CC2)cc1C ZINC000583030828 323783467 /nfs/dbraw/zinc/78/34/67/323783467.db2.gz UCKSQNGXLJFVJO-HNNXBMFYSA-N 2 0 303.450 2.691 20 0 DFADRP c1cc(-c2n[nH]cc2C[NH2+][C@@H]2C[C@H]2C2CC[NH2+]CC2)cs1 ZINC000583131882 323801335 /nfs/dbraw/zinc/80/13/35/323801335.db2.gz AGTUBEQHTUFEKW-LSDHHAIUSA-N 2 0 302.447 2.616 20 0 DFADRP CC(C)[NH+](CCCNC(=O)CC1C[C@H]2CC[C@@H](C1)[NH2+]2)C(C)C ZINC000584230142 331872201 /nfs/dbraw/zinc/87/22/01/331872201.db2.gz NFZWSGBSHIOBSZ-ALOPSCKCSA-N 2 0 309.498 2.532 20 0 DFADRP Cc1nc2ccccc2n1CCC[NH2+][C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000584285597 332212787 /nfs/dbraw/zinc/21/27/87/332212787.db2.gz RNGKXCQRHCWTRG-GOEBONIOSA-N 2 0 300.450 2.713 20 0 DFADRP CCC[NH+]1CCC(C[NH2+]C[C@@H](O)CCc2ccccc2)CC1 ZINC000584405606 337320156 /nfs/dbraw/zinc/32/01/56/337320156.db2.gz QRZNFHNVUZKRJB-IBGZPJMESA-N 2 0 304.478 2.692 20 0 DFADRP C[C@@H]([NH2+]CCOCC[NH+](C)C)c1sccc1Br ZINC000219318225 337347650 /nfs/dbraw/zinc/34/76/50/337347650.db2.gz AWUDNDMMDZCKRF-SNVBAGLBSA-N 2 0 321.284 2.739 20 0 DFADRP CC[NH+]1CCN(CCC[NH2+][C@@H]2CCc3c2cccc3Cl)CC1 ZINC000584564545 337363094 /nfs/dbraw/zinc/36/30/94/337363094.db2.gz GZGJKQAVCRMTNI-GOSISDBHSA-N 2 0 321.896 2.945 20 0 DFADRP CCC(=O)Nc1cccc(C[NH2+][C@@H]2CC[N@H+](C)[C@H]3CCC[C@@H]32)c1 ZINC000584670677 337381323 /nfs/dbraw/zinc/38/13/23/337381323.db2.gz LIYMHYHFTBBYOX-KURKYZTESA-N 2 0 315.461 2.998 20 0 DFADRP CCC(=O)Nc1cccc(C[NH2+][C@@H]2CC[N@H+](C)[C@@H]3CCC[C@H]32)c1 ZINC000584670679 337381381 /nfs/dbraw/zinc/38/13/81/337381381.db2.gz LIYMHYHFTBBYOX-RCCFBDPRSA-N 2 0 315.461 2.998 20 0 DFADRP COc1cc(C[NH2+]CCCCC[NH+]2CCCC2)cc(OC)c1O ZINC000293678876 533873726 /nfs/dbraw/zinc/87/37/26/533873726.db2.gz POHOODQEXYPQRN-UHFFFAOYSA-N 2 0 322.449 2.765 20 0 DFADRP C[C@@H](C[NH2+]CCC[NH+]1CCC(O)CC1)c1cc(F)cc(F)c1 ZINC000294684996 534056388 /nfs/dbraw/zinc/05/63/88/534056388.db2.gz AGHQNHCCRZRMSZ-ZDUSSCGKSA-N 2 0 312.404 2.505 20 0 DFADRP C[C@]1(C[NH2+]CC2CCOCC2)CC[N@H+](Cc2ccccc2)C1 ZINC000309835641 534176019 /nfs/dbraw/zinc/17/60/19/534176019.db2.gz UMAWLFUHRDTKIS-LJQANCHMSA-N 2 0 302.462 2.915 20 0 DFADRP CCC[NH+](CCC)CCCC(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000154523490 521644010 /nfs/dbraw/zinc/64/40/10/521644010.db2.gz DXIQMVGUBCOIRZ-ROUUACIJSA-N 2 0 323.525 2.831 20 0 DFADRP CCC[NH+](CCC)CCCC(=O)N1CCC[C@H]2C[N@H+](C)CC[C@@H]21 ZINC000366328259 521644265 /nfs/dbraw/zinc/64/42/65/521644265.db2.gz ULTHHEQIRMGRAS-ROUUACIJSA-N 2 0 323.525 2.831 20 0 DFADRP CC[NH+]1CCN(CCC[NH2+][C@@H]2c3cc(F)ccc3C[C@@H]2C)CC1 ZINC000154334022 521681831 /nfs/dbraw/zinc/68/18/31/521681831.db2.gz MVXIYDCZQWMUOT-KXBFYZLASA-N 2 0 319.468 2.676 20 0 DFADRP C[NH+](C)CCOCC[NH2+]Cc1cnc(-c2cccs2)s1 ZINC000354188273 521794006 /nfs/dbraw/zinc/79/40/06/521794006.db2.gz FHOVSWTYECLFKX-UHFFFAOYSA-N 2 0 311.476 2.539 20 0 DFADRP [NH3+]CCCOC1CC[NH+](Cc2ccccc2OC(F)F)CC1 ZINC000316422890 534618174 /nfs/dbraw/zinc/61/81/74/534618174.db2.gz KLUBEMPVFJRJFS-UHFFFAOYSA-N 2 0 314.376 2.618 20 0 DFADRP CC[C@H]([NH2+]CCCN1CCC[N@H+](C)CC1)c1ccc(OC)cc1 ZINC000128367571 522583219 /nfs/dbraw/zinc/58/32/19/522583219.db2.gz GQUQHCCBQWIRSL-IBGZPJMESA-N 2 0 319.493 2.764 20 0 DFADRP COc1ccc(CC[NH2+][C@@H]2CC[N@H+](C)[C@@H]3CCC[C@@H]32)cc1F ZINC000367602235 523977263 /nfs/dbraw/zinc/97/72/63/523977263.db2.gz SABDORVLASNCEE-DJIMGWMZSA-N 2 0 306.425 2.839 20 0 DFADRP COCCOc1ccc(C[NH2+][C@@H]2CC[N@H+](C)[C@H]3CCC[C@H]32)cc1 ZINC000367619524 524045306 /nfs/dbraw/zinc/04/53/06/524045306.db2.gz WTNZSARETGGDEN-OTWHNJEPSA-N 2 0 318.461 2.674 20 0 DFADRP C[C@H]([NH3+])CCC(=O)NCc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000248871853 524830337 /nfs/dbraw/zinc/83/03/37/524830337.db2.gz OWICAWGOLMGCQE-CVEARBPZSA-N 2 0 317.477 2.662 20 0 DFADRP CSC1(C[NH+]2CCC(CC[NH+]3CCOCC3)CC2)CCC1 ZINC000365656044 525309676 /nfs/dbraw/zinc/30/96/76/525309676.db2.gz JRMWBSVKTOGAQW-UHFFFAOYSA-N 2 0 312.523 2.706 20 0 DFADRP CC(C)(C)NC(=[NH2+])NC[C@@]1(C)CC[N@H+](Cc2ccccc2)C1 ZINC000309672262 526299902 /nfs/dbraw/zinc/29/99/02/526299902.db2.gz UDMWKUIVHXAITJ-GOSISDBHSA-N 2 0 302.466 2.811 20 0 DFADRP c1ccc(C[NH+]2CC[C@H](CN[C@H]3CC[N@@H+]4CCC[C@@H]4C3)C2)cc1 ZINC000249158110 526471101 /nfs/dbraw/zinc/47/11/01/526471101.db2.gz XSQFSWRZQWDWOY-HSALFYBXSA-N 2 0 313.489 2.725 20 0 DFADRP Cc1[nH+]c2ccccc2c(N2CCC[N@@H+]([C@H](C)CO)CC2)c1C ZINC000364987105 527159429 /nfs/dbraw/zinc/15/94/29/527159429.db2.gz UJZSEEMPWMJIQR-CQSZACIVSA-N 2 0 313.445 2.745 20 0 DFADRP Cn1nccc1[C@H]1CCC[C@H]([NH2+]CCC[NH+]2CCCCC2)C1 ZINC000364830754 527630800 /nfs/dbraw/zinc/63/08/00/527630800.db2.gz QKXIAFGYYUTCOP-IRXDYDNUSA-N 2 0 304.482 2.912 20 0 DFADRP CC1(C)Cc2cccc(C[NH+]3CCC(OCCC[NH3+])CC3)c2O1 ZINC000322304717 527776571 /nfs/dbraw/zinc/77/65/71/527776571.db2.gz WVCHYHLVPMVKDV-UHFFFAOYSA-N 2 0 318.461 2.730 20 0 DFADRP CCC[N@H+](C)C[C@H]1CC[NH+](C[C@@H](Cc2ccccc2)OC)C1 ZINC000294928822 527849339 /nfs/dbraw/zinc/84/93/39/527849339.db2.gz IWQPTZHKSWXCIZ-RTBURBONSA-N 2 0 304.478 2.908 20 0 DFADRP CC[NH+](CC)CCN(Cc1cccs1)C(=O)[C@@H](C)[NH2+]C1CC1 ZINC000295662006 528126258 /nfs/dbraw/zinc/12/62/58/528126258.db2.gz JKKVCVCYPFFZCY-CQSZACIVSA-N 2 0 323.506 2.559 20 0 DFADRP CC(C)c1nc([C@H]2CCC[N@H+](C[C@H]3CC[NH2+][C@H](C)C3)C2)no1 ZINC000332342568 528318455 /nfs/dbraw/zinc/31/84/55/528318455.db2.gz REKCOUXXETWRRN-ILXRZTDVSA-N 2 0 306.454 2.761 20 0 DFADRP CCOc1cc2[nH+]ccc(N3CC([NH+](C)C)C3)c2cc1OCC ZINC000302161561 528350866 /nfs/dbraw/zinc/35/08/66/528350866.db2.gz YNKGLVGQOQZZGU-UHFFFAOYSA-N 2 0 315.417 2.782 20 0 DFADRP CC(C)[C@@H](C[NH2+]C(C1CCC1)C1CCC1)N1CC[NH+](C)CC1 ZINC000319928849 528461317 /nfs/dbraw/zinc/46/13/17/528461317.db2.gz LYQWJJPXPXGKCE-GOSISDBHSA-N 2 0 307.526 2.817 20 0 DFADRP CCC[C@](C)([NH3+])C(=O)NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000309886327 528463382 /nfs/dbraw/zinc/46/33/82/528463382.db2.gz LGPLEXWDAXCVNF-HKUYNNGSSA-N 2 0 317.477 2.532 20 0 DFADRP CC(C)N(C)c1ccc(C[NH2+]Cc2ccc3c[nH+]cn3c2)cn1 ZINC000297422064 528843628 /nfs/dbraw/zinc/84/36/28/528843628.db2.gz DTXKMBMIXKNRPD-UHFFFAOYSA-N 2 0 309.417 2.864 20 0 DFADRP CC[NH+]1CCC(NC[C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000309743478 528986534 /nfs/dbraw/zinc/98/65/34/528986534.db2.gz SROGRJACRRXBFL-GOSISDBHSA-N 2 0 301.478 2.582 20 0 DFADRP CC(C)[C@H](C[NH2+]Cc1cccc(C2CC2)c1)N1CC[NH+](C)CC1 ZINC000322288091 529012233 /nfs/dbraw/zinc/01/22/33/529012233.db2.gz SUUURQMZKDIXDJ-FQEVSTJZSA-N 2 0 315.505 2.926 20 0 DFADRP CCC[N@@H+]1CC[C@@H](C[NH2+][C@H]2CCC(=O)Nc3ccc(F)cc32)C1 ZINC000361033286 534949323 /nfs/dbraw/zinc/94/93/23/534949323.db2.gz JGTQGFPNZASQIL-BBRMVZONSA-N 2 0 319.424 2.921 20 0 DFADRP CCCNC(=[NH2+])NCC1CC[NH+](Cc2ccc(C)cc2)CC1 ZINC000361805263 535005639 /nfs/dbraw/zinc/00/56/39/535005639.db2.gz YQHADVOOURFTMH-UHFFFAOYSA-N 2 0 302.466 2.731 20 0 DFADRP CC(C)[C@H](C[NH2+]CC1CC[NH+](CCO)CC1)c1ccccc1 ZINC000354350476 535017463 /nfs/dbraw/zinc/01/74/63/535017463.db2.gz DIMCQCXZMQESOV-IBGZPJMESA-N 2 0 304.478 2.720 20 0 DFADRP CC(C)[NH+]1CCC(C(=O)N[C@H](C)C[N@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC000174753740 535149952 /nfs/dbraw/zinc/14/99/52/535149952.db2.gz DCEYZRXCPIUUSW-IXDOHACOSA-N 2 0 323.525 2.589 20 0 DFADRP CC(C)[NH+]1CCC(O)(C[NH2+][C@@H](C)CCc2ccsc2)CC1 ZINC000360983027 535164866 /nfs/dbraw/zinc/16/48/66/535164866.db2.gz LIPYQFCCHMVJRZ-HNNXBMFYSA-N 2 0 310.507 2.894 20 0 DFADRP CCCC[N@H+](C)CC1CC[NH+]([C@H](C)C(=O)N(C)C(C)C)CC1 ZINC000175110464 535216621 /nfs/dbraw/zinc/21/66/21/535216621.db2.gz LBIIVVSHEBGOHO-MRXNPFEDSA-N 2 0 311.514 2.686 20 0 DFADRP CCC[NH+](CCC)CCCC(=O)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000361581699 535324700 /nfs/dbraw/zinc/32/47/00/535324700.db2.gz KBEUQWQTRNXSKH-IAGOWNOFSA-N 2 0 309.498 2.632 20 0 DFADRP CC[N@@H+]1CCCC[C@H]1C(=O)N1CC[NH+](CC2CCCCC2)CC1 ZINC000354797421 535494297 /nfs/dbraw/zinc/49/42/97/535494297.db2.gz RYRYUFVBQRQOJP-SFHVURJKSA-N 2 0 321.509 2.585 20 0 DFADRP CC[N@@H+]1CCC[C@@H](C[NH2+]CCCc2ccc3c(c2)CCO3)C1 ZINC000361011503 535525212 /nfs/dbraw/zinc/52/52/12/535525212.db2.gz DTNZEOHJVUVRHC-KRWDZBQOSA-N 2 0 302.462 2.876 20 0 DFADRP CCC[C@@](C)([NH3+])C(=O)NC[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000262712795 535528736 /nfs/dbraw/zinc/52/87/36/535528736.db2.gz RYQYUUNBUGZVSS-PKOBYXMFSA-N 2 0 317.477 2.675 20 0 DFADRP CC[NH+](CC)CCOc1ccccc1C[NH2+][C@@H](C)c1cn[nH]c1 ZINC000284093362 535556816 /nfs/dbraw/zinc/55/68/16/535556816.db2.gz MKBCEZPXQRYZJT-HNNXBMFYSA-N 2 0 316.449 2.981 20 0 DFADRP CC[NH+]1CCN([C@H](C)C[NH2+][C@@H](C)c2cc(F)cc(F)c2)CC1 ZINC000155667216 535741354 /nfs/dbraw/zinc/74/13/54/535741354.db2.gz XTYVPEIAWKBUQU-KGLIPLIRSA-N 2 0 311.420 2.641 20 0 DFADRP CCN(C[C@@H]1CC[N@H+](CC[C@H]2CCC[NH+]2C)C1)CC(F)(F)F ZINC000245686989 535770363 /nfs/dbraw/zinc/77/03/63/535770363.db2.gz PTNXZBYJELGRMM-LSDHHAIUSA-N 2 0 321.431 2.677 20 0 DFADRP CCc1cccc(F)c1C[NH2+]C1CCN(CC[NH+](C)C)CC1 ZINC000353929555 535890636 /nfs/dbraw/zinc/89/06/36/535890636.db2.gz NCUPRCMKFFLYOQ-UHFFFAOYSA-N 2 0 307.457 2.504 20 0 DFADRP CCc1cccc(NC(=O)C[NH+]2CCC(CC[NH2+]C)CC2)c1 ZINC000262068132 535898249 /nfs/dbraw/zinc/89/82/49/535898249.db2.gz FSUINTCTWSIYNR-UHFFFAOYSA-N 2 0 303.450 2.509 20 0 DFADRP C[NH+](C)Cc1ccsc1C(=O)NC1CC([NH+]2CCCCC2)C1 ZINC000357862896 536052643 /nfs/dbraw/zinc/05/26/43/536052643.db2.gz RBSCFEIRXCLCNP-UHFFFAOYSA-N 2 0 321.490 2.556 20 0 DFADRP CN(CC[N@H+](C)CCCCOC(C)(C)C)C1CC[NH+](C)CC1 ZINC000354698432 536340827 /nfs/dbraw/zinc/34/08/27/536340827.db2.gz BVZISMQCWLEMBO-UHFFFAOYSA-N 2 0 313.530 2.540 20 0 DFADRP C[N@@H+]1CCC[C@H]1CC[NH+]1CCC[C@](CO)(Cc2ccccc2)C1 ZINC000361596584 536390468 /nfs/dbraw/zinc/39/04/68/536390468.db2.gz UCLPKOITFKYKCG-PMACEKPBSA-N 2 0 316.489 2.788 20 0 DFADRP C[N@H+](CCOCC1CC1)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000354879656 536393734 /nfs/dbraw/zinc/39/37/34/536393734.db2.gz KQTUFJXTACEWAO-UHFFFAOYSA-N 2 0 303.450 2.656 20 0 DFADRP COc1ccccc1OCC[NH+]1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000261828046 537094501 /nfs/dbraw/zinc/09/45/01/537094501.db2.gz BDKFFCUOIFKKNP-MRXNPFEDSA-N 2 0 304.434 2.538 20 0 DFADRP Cc1ccc2[nH+]ccc(N3CC[NH+]([C@@H]4CCC[C@H]4O)CC3)c2c1 ZINC000680620474 545519997 /nfs/dbraw/zinc/51/99/97/545519997.db2.gz HQBBJGMWQYIYFN-RTBURBONSA-N 2 0 311.429 2.579 20 0 DFADRP CO[C@]1(C[NH2+]Cc2ccccc2C[NH+]2CCCCC2)CCOC1 ZINC000680853944 545552773 /nfs/dbraw/zinc/55/27/73/545552773.db2.gz UKPYOZFQHIIBLD-IBGZPJMESA-N 2 0 318.461 2.568 20 0 DFADRP C[C@@H](Cn1cccn1)[NH2+]C[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000681089984 545594826 /nfs/dbraw/zinc/59/48/26/545594826.db2.gz JBEBIHZYTYJUKI-PKOBYXMFSA-N 2 0 312.461 2.773 20 0 DFADRP C[C@@H]([NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)C(C)(C)O ZINC000683693031 546076769 /nfs/dbraw/zinc/07/67/69/546076769.db2.gz ZNQXFHSFUUJSIR-NRSFXHEJSA-N 2 0 302.462 2.931 20 0 DFADRP CN(CC[N@H+](C)[C@@H]1CCc2ccccc21)C1CC[NH+](C)CC1 ZINC000683783974 546094876 /nfs/dbraw/zinc/09/48/76/546094876.db2.gz AEEDJRAIVMVJJB-LJQANCHMSA-N 2 0 301.478 2.632 20 0 DFADRP CO[C@@H](c1ccccc1)[C@H](C)[NH2+]CC1(O)CC[NH+](C(C)C)CC1 ZINC000683817907 546101784 /nfs/dbraw/zinc/10/17/84/546101784.db2.gz KCUNYQYUTPIXDB-FUHWJXTLSA-N 2 0 320.477 2.588 20 0 DFADRP CN(C)CC[NH+]1CCC(C[NH2+]Cc2cc3ccccc3[nH]2)CC1 ZINC000683926538 546121496 /nfs/dbraw/zinc/12/14/96/546121496.db2.gz ABKGJLGLECYUCF-UHFFFAOYSA-N 2 0 314.477 2.531 20 0 DFADRP CC[C@H](C[NH+]1CCCC1)NC(=O)CC[N@H+](C)C1CCCCC1 ZINC000684162637 546161132 /nfs/dbraw/zinc/16/11/32/546161132.db2.gz AVNAUIWRXWQOPH-MRXNPFEDSA-N 2 0 309.498 2.632 20 0 DFADRP CO[C@@H]1CCC[C@H]([NH2+]Cc2cccc(OCC[NH+](C)C)c2)C1 ZINC000684371119 546202516 /nfs/dbraw/zinc/20/25/16/546202516.db2.gz LBWZOIBMNSOPCO-DLBZAZTESA-N 2 0 306.450 2.674 20 0 DFADRP CO[C@H]1CCC[C@@H]([NH2+]CC2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000684389891 546207441 /nfs/dbraw/zinc/20/74/41/546207441.db2.gz YEVVJHDQEDRZLG-AEFFLSMTSA-N 2 0 303.450 2.845 20 0 DFADRP C[N@@H+]1CCN(CC[NH2+]Cc2cscc2Cl)CC1(C)C ZINC000685042916 546323146 /nfs/dbraw/zinc/32/31/46/546323146.db2.gz OWESXNUILGVJTR-UHFFFAOYSA-N 2 0 301.887 2.517 20 0 DFADRP C[N@H+](CCCN1CC[NH+](C)CC1)Cc1ccccc1C1CC1 ZINC000685458397 546353355 /nfs/dbraw/zinc/35/33/55/546353355.db2.gz FFVNKQUYDDSOAQ-UHFFFAOYSA-N 2 0 301.478 2.633 20 0 DFADRP Cn1nc(C[N@@H+]2CC[C@H](C3CC[NH+](C)CC3)C2)c2ccccc21 ZINC000685463165 546354525 /nfs/dbraw/zinc/35/45/25/546354525.db2.gz VKNDCKOMCCERBT-INIZCTEOSA-N 2 0 312.461 2.737 20 0 DFADRP COCC[C@@H](COC)[NH2+][C@@H]1CN(Cc2ccccc2)C(C)(C)C1 ZINC000685664055 546383444 /nfs/dbraw/zinc/38/34/44/546383444.db2.gz AXHGWVLWCBDUOB-ROUUACIJSA-N 2 0 320.477 2.681 20 0 DFADRP CCCC[N@H+](C)C[C@@H](C)NC(=O)C1(C[NH+](C)C)CCCCC1 ZINC000685888273 546405496 /nfs/dbraw/zinc/40/54/96/546405496.db2.gz OVSVPLYTRXKBRT-MRXNPFEDSA-N 2 0 311.514 2.735 20 0 DFADRP CCOc1ccc(C[NH2+]C[C@H](CC[NH+](C)C)OCC)cc1F ZINC000278571907 214245635 /nfs/dbraw/zinc/24/56/35/214245635.db2.gz XMQJZCWFYQGZSP-HNNXBMFYSA-N 2 0 312.429 2.671 20 0 DFADRP CC1CC[NH+](Cc2ccc(NC(=O)[C@H]3CCC[NH2+]3)cc2)CC1 ZINC000164562325 197657039 /nfs/dbraw/zinc/65/70/39/197657039.db2.gz ZKTLPZOCHMLHDA-QGZVFWFLSA-N 2 0 301.434 2.609 20 0 DFADRP CCOc1ccc(C[NH2+]CCCC[N@@H+]2CCC[C@@H]2CO)cc1F ZINC000278575570 214249168 /nfs/dbraw/zinc/24/91/68/214249168.db2.gz XYFDAKLEINNCSN-MRXNPFEDSA-N 2 0 324.440 2.551 20 0 DFADRP C[C@@H]1CCCC[N@@H+]1Cc1ccc(NC(=O)[C@@H]2CCC[NH2+]2)cc1 ZINC000078956878 185135300 /nfs/dbraw/zinc/13/53/00/185135300.db2.gz MVJUXCPAHFLLTF-PBHICJAKSA-N 2 0 301.434 2.752 20 0 DFADRP CC1=CCC[C@H](C)[C@@H]1C[NH2+][C@@H](CC(C)C)C(=O)NCC[NH+](C)C ZINC000443640675 297223629 /nfs/dbraw/zinc/22/36/29/297223629.db2.gz NVARDICWMHIMRZ-KSZLIROESA-N 2 0 323.525 2.661 20 0 DFADRP C[C@H]([NH2+]CC1CCOCC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000309714446 231101436 /nfs/dbraw/zinc/10/14/36/231101436.db2.gz LFOUIKSXTPJYFT-QFBILLFUSA-N 2 0 302.462 2.913 20 0 DFADRP COC[C@@H]([NH2+]C[C@@H]1CCC[N@H+](Cc2ccccc2)C1)C1CC1 ZINC000309641970 231102390 /nfs/dbraw/zinc/10/23/90/231102390.db2.gz CHTLPFALSHDCAJ-PKOBYXMFSA-N 2 0 302.462 2.913 20 0 DFADRP C[C@@H]1COCC[C@@H]1[NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]12 ZINC000309857386 231108002 /nfs/dbraw/zinc/10/80/02/231108002.db2.gz LTOCTTDOJOJTSE-LFZDHENXSA-N 2 0 314.473 2.912 20 0 DFADRP COc1ccc([C@H](C)[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1OC ZINC000318886909 231176360 /nfs/dbraw/zinc/17/63/60/231176360.db2.gz NQZHETFOBZUBJT-CWRNSKLLSA-N 2 0 304.434 2.981 20 0 DFADRP CC[C@H](C)[N@H+](C)CCNC(=O)c1ccc(C[NH+](CC)CC)cc1 ZINC000066125734 398358432 /nfs/dbraw/zinc/35/84/32/398358432.db2.gz JLBLJKOYIFCJCZ-INIZCTEOSA-N 2 0 319.493 2.989 20 0 DFADRP Cc1nn(C)c2ncc(C[NH2+]Cc3ccc(C[NH+](C)C)cc3)cc12 ZINC000237068528 398367123 /nfs/dbraw/zinc/36/71/23/398367123.db2.gz WLPNYABPBOEUFU-UHFFFAOYSA-N 2 0 323.444 2.628 20 0 DFADRP C[C@@H]1C[C@@H](C)C[NH+](CCCC[NH2+]C[C@](C)(O)C(F)(F)F)C1 ZINC000518757541 300431036 /nfs/dbraw/zinc/43/10/36/300431036.db2.gz DWASMGFZJOGLKN-MCIONIFRSA-N 2 0 310.404 2.647 20 0 DFADRP [NH3+][C@@H](CCC(=O)NCC[NH2+]C1CCCCCC1)c1ccccc1 ZINC000237935902 398375529 /nfs/dbraw/zinc/37/55/29/398375529.db2.gz SKWTUYIAIJHXBN-SFHVURJKSA-N 2 0 317.477 2.895 20 0 DFADRP CC[C@H]([NH2+][C@H](C)c1ccc(OCC[NH+](C)C)cc1)C(C)(C)O ZINC000294859696 529666876 /nfs/dbraw/zinc/66/68/76/529666876.db2.gz BWTVXMYVFJFYOZ-PBHICJAKSA-N 2 0 308.466 2.827 20 0 DFADRP CC(C)OC1CC([NH+]2CCC(OCC[NH+]3CCCC3)CC2)C1 ZINC000459359635 299087925 /nfs/dbraw/zinc/08/79/25/299087925.db2.gz NZJUOQOPIJLFSC-UHFFFAOYSA-N 2 0 310.482 2.519 20 0 DFADRP Cn1cncc1CC[NH+]1CCC(CCC[NH+]2CCCC2)CC1 ZINC000459372464 299089774 /nfs/dbraw/zinc/08/97/74/299089774.db2.gz JBDIZNOKJKRLTE-UHFFFAOYSA-N 2 0 304.482 2.551 20 0 DFADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCC[NH2+]C2CCN(C3CC3)CC2)C1 ZINC000459371040 299089833 /nfs/dbraw/zinc/08/98/33/299089833.db2.gz HYERTQRQUVJQNO-CALCHBBNSA-N 2 0 307.526 2.961 20 0 DFADRP C[NH+](C)[C@H](CNC(=O)[C@@H]([NH3+])CC1CCCCC1)c1ccccc1 ZINC000261617350 282244202 /nfs/dbraw/zinc/24/42/02/282244202.db2.gz BSROILBJZYLUCC-ZWKOTPCHSA-N 2 0 317.477 2.703 20 0 DFADRP CCCC[NH+]1CCC([NH2+][C@@H]2C[C@@H](OCC)[C@@H]2SC)CC1 ZINC000459387941 299093552 /nfs/dbraw/zinc/09/35/52/299093552.db2.gz DKXVNNXYNURYDV-BZUAXINKSA-N 2 0 300.512 2.750 20 0 DFADRP C[N@@H+]1CCC[C@H]1CCN1CCC(C)(C(=O)OC(C)(C)C)CC1 ZINC000592158547 398394418 /nfs/dbraw/zinc/39/44/18/398394418.db2.gz GKHGYWVPEWQPDQ-HNNXBMFYSA-N 2 0 310.482 2.915 20 0 DFADRP C[C@H]([NH2+]CCn1cc(Cl)cn1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000459405869 299098485 /nfs/dbraw/zinc/09/84/85/299098485.db2.gz OCPSZYVRVWPDMY-KBPBESRZSA-N 2 0 310.873 2.779 20 0 DFADRP OC[C@@H]1CCC[N@@H+]1CCCC[NH2+]Cc1ccc(C2CC2)cc1 ZINC000459421789 299102493 /nfs/dbraw/zinc/10/24/93/299102493.db2.gz ZSXYCLRQPXLYRA-IBGZPJMESA-N 2 0 302.462 2.891 20 0 DFADRP C[NH+](C)Cc1cccc(C[NH2+]C[C@H](O)CCc2ccccc2)c1 ZINC000584834571 398419354 /nfs/dbraw/zinc/41/93/54/398419354.db2.gz RHPAVYPMNYEAFH-HXUWFJFHSA-N 2 0 312.457 2.832 20 0 DFADRP C[N@H+](CCCNC(=O)c1ccc2c(c1)C[NH2+]C2)C1CCCCC1 ZINC000321969251 529891551 /nfs/dbraw/zinc/89/15/51/529891551.db2.gz HTCORYOXPKRLPZ-UHFFFAOYSA-N 2 0 315.461 2.674 20 0 DFADRP COC(=O)CC[C@H]([NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1)c1ccccc1 ZINC000592469470 398430429 /nfs/dbraw/zinc/43/04/29/398430429.db2.gz QZZALPWBBZHWMN-TVFCKZIOSA-N 2 0 316.445 2.659 20 0 DFADRP C[NH+](C)CC1CCC([NH2+]C2CCN(c3cc[nH+]cc3)CC2)CC1 ZINC000459443676 299107774 /nfs/dbraw/zinc/10/77/74/299107774.db2.gz FAPFWFLPLVKGJD-UHFFFAOYSA-N 3 0 316.493 2.760 20 0 DFADRP CCO[C@@H]1C[C@H]([NH2+]C2CCC(C[NH+](C)C)CC2)[C@H]1SC ZINC000459448716 299109659 /nfs/dbraw/zinc/10/96/59/299109659.db2.gz LOXMKOXMFSAIPG-UIEKQHFFSA-N 2 0 300.512 2.605 20 0 DFADRP CCO[C@@H]1C[C@H]([NH2+]C[C@@H]2CCC[N@H+](CC(C)C)C2)[C@@H]1SC ZINC000459453754 299110915 /nfs/dbraw/zinc/11/09/15/299110915.db2.gz SZUNEJAOPDICQT-NXOAAHMSSA-N 2 0 314.539 2.853 20 0 DFADRP CCC[N@H+](CC)Cc1ccc(C(=O)N[C@@H]2CCC[NH+](C)C2)cc1 ZINC000586754194 398453367 /nfs/dbraw/zinc/45/33/67/398453367.db2.gz ZQESIMYTXILOAS-GOSISDBHSA-N 2 0 317.477 2.743 20 0 DFADRP C[N@@H+]1CCCC[C@@H]1CC[NH+]1CCC(CO)(c2ccccc2)CC1 ZINC000292951971 530052322 /nfs/dbraw/zinc/05/23/22/530052322.db2.gz AQPVHLQGIIIXHU-LJQANCHMSA-N 2 0 316.489 2.887 20 0 DFADRP C[N@@H+]1CCC[C@@]2(CC[NH+](Cc3ccc(-n4ccnc4)cc3)C2)C1 ZINC000293048905 530060002 /nfs/dbraw/zinc/06/00/02/530060002.db2.gz SXTGSAQAGHDRKB-LJQANCHMSA-N 2 0 310.445 2.790 20 0 DFADRP C[C@@H](NC1CC[NH+](C2CC2)CC1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000459466165 299113877 /nfs/dbraw/zinc/11/38/77/299113877.db2.gz OSCLWSOCZSIQLX-CVEARBPZSA-N 2 0 305.510 2.856 20 0 DFADRP CCO[C@@H]1C[C@@H]([NH2+]CC2(C[NH+](C)C)CCCC2)[C@H]1SC ZINC000459476265 299115933 /nfs/dbraw/zinc/11/59/33/299115933.db2.gz HKJYQMOWUPRFLG-RBSFLKMASA-N 2 0 300.512 2.607 20 0 DFADRP COc1cccc(OCCC[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000090060392 398476926 /nfs/dbraw/zinc/47/69/26/398476926.db2.gz AGINILBBJFPZSS-JKSUJKDBSA-N 2 0 304.434 2.681 20 0 DFADRP C[N@H+](CC1CCN(c2cc[nH+]cc2)CC1)[C@@H]1CCCC[C@H]1O ZINC000364986970 282393290 /nfs/dbraw/zinc/39/32/90/282393290.db2.gz LLQYXADKPPCFLL-QZTJIDSGSA-N 2 0 303.450 2.533 20 0 DFADRP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]C[C@@H](c1ccccc1)C(C)(C)CO ZINC000090656901 398491039 /nfs/dbraw/zinc/49/10/39/398491039.db2.gz NGYHKMHYYKQSLX-NJAFHUGGSA-N 2 0 304.478 2.719 20 0 DFADRP COC[C@H]([NH2+]C[C@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1)C1CC1 ZINC000090708537 398492040 /nfs/dbraw/zinc/49/20/40/398492040.db2.gz FKQPKQGGHFYYDU-WDYCEAGBSA-N 2 0 302.462 2.912 20 0 DFADRP OCCC[NH2+][C@@H]1CCCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000279612122 215004735 /nfs/dbraw/zinc/00/47/35/215004735.db2.gz QZGQBOJMUJVGIK-GUDVDZBRSA-N 2 0 302.462 2.649 20 0 DFADRP C[C@H]1C[C@@H](C[NH2+]Cc2ccc(Br)s2)CC[NH2+]1 ZINC000235703951 201920487 /nfs/dbraw/zinc/92/04/87/201920487.db2.gz LNBZSMGJYGDRSQ-UWVGGRQHSA-N 2 0 303.269 2.988 20 0 DFADRP C[C@H](CC[NH+](C)C)N[C@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272690132 210094866 /nfs/dbraw/zinc/09/48/66/210094866.db2.gz VOWCSDBGUZZXBK-LMMKCTJWSA-N 2 0 303.494 2.827 20 0 DFADRP CC1(C)CCCN1CC[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000459557746 299133038 /nfs/dbraw/zinc/13/30/38/299133038.db2.gz DNYZTYJMYMPMRJ-UHFFFAOYSA-N 2 0 302.466 2.514 20 0 DFADRP [NH3+]C1CCC(C(=O)Nc2ccc(C[NH+]3CCCC3)cc2)CC1 ZINC000314572026 398520223 /nfs/dbraw/zinc/52/02/23/398520223.db2.gz OCXPAAQNVYVFIL-UHFFFAOYSA-N 2 0 301.434 2.738 20 0 DFADRP CN1CC[NH+](CCCC[NH2+][C@@H](c2ccccc2)C2CC2)CC1 ZINC000091285135 398524772 /nfs/dbraw/zinc/52/47/72/398524772.db2.gz IESZRXRWWSQGHF-IBGZPJMESA-N 2 0 301.478 2.755 20 0 DFADRP C[C@@H]1C[C@@H](NC[C@H]2CCC[NH+]2C)CC[N@@H+]1Cc1ccccc1 ZINC000272662362 210067581 /nfs/dbraw/zinc/06/75/81/210067581.db2.gz IGYKJEJUIXMDDT-NZSAHSFTSA-N 2 0 301.478 2.723 20 0 DFADRP CC(C)[NH+]1CCC(C(=O)NC[C@]2([NH+](C)C)CCC[C@@H](C)C2)CC1 ZINC000073025121 282519883 /nfs/dbraw/zinc/51/98/83/282519883.db2.gz YXDSVIGYTZEXTA-APWZRJJASA-N 2 0 323.525 2.734 20 0 DFADRP CC(C)[C@H]([NH2+]C1CC[NH+](C[C@H]2CCOC2)CC1)c1cccnc1 ZINC000091343598 398526062 /nfs/dbraw/zinc/52/60/62/398526062.db2.gz VSSMFIZORVMKQX-APWZRJJASA-N 2 0 317.477 2.869 20 0 DFADRP c1cc(N2CCC([NH2+]C[C@@H]3CCOC4(CCC4)C3)CC2)cc[nH+]1 ZINC000459573273 299137878 /nfs/dbraw/zinc/13/78/78/299137878.db2.gz IMFAEJYUZBBIAI-MRXNPFEDSA-N 2 0 315.461 2.989 20 0 DFADRP C[C@H](Cn1cccn1)[NH2+][C@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272653326 210060761 /nfs/dbraw/zinc/06/07/61/210060761.db2.gz KWRQUQXATOTYNT-ZHALLVOQSA-N 2 0 312.461 2.772 20 0 DFADRP CC(C)[NH+]1CCC(C(=O)NC[C@@H](c2cccs2)[NH+](C)C)CC1 ZINC000073399993 282523061 /nfs/dbraw/zinc/52/30/61/282523061.db2.gz CLHDMVUNTZUBDR-HNNXBMFYSA-N 2 0 323.506 2.587 20 0 DFADRP C[C@@H]([NH2+]CCCC[NH+]1CCC(C)CC1)c1cc2n(n1)CCC2 ZINC000414071123 295763553 /nfs/dbraw/zinc/76/35/53/295763553.db2.gz LQIGBPTVADJCQX-MRXNPFEDSA-N 2 0 304.482 2.992 20 0 DFADRP CCn1nc(C[NH2+]CC2CC[NH+](CC)CC2)c2ccccc21 ZINC000316453305 398531707 /nfs/dbraw/zinc/53/17/07/398531707.db2.gz QZHLUCUHZFZJJG-UHFFFAOYSA-N 2 0 300.450 2.878 20 0 DFADRP CC[C@H]([NH2+]Cc1cccc(C(=O)NCC[NH+](C)C)c1)[C@@H]1C[C@H]1C ZINC000414085400 295765600 /nfs/dbraw/zinc/76/56/00/295765600.db2.gz YLOKTYSHPNYGMS-OLMNPRSZSA-N 2 0 317.477 2.502 20 0 DFADRP CCOC(=O)CCCCC[N@H+](C)C[C@H]1CCn2ccnc2C1 ZINC000589262269 398542200 /nfs/dbraw/zinc/54/22/00/398542200.db2.gz VPLADWDMLBXVDZ-HNNXBMFYSA-N 2 0 307.438 2.501 20 0 DFADRP CC[NH+](CC)Cc1ccc(CNC(=O)C2CCC([NH3+])CC2)cc1 ZINC000320301406 398546497 /nfs/dbraw/zinc/54/64/97/398546497.db2.gz BANLFSZSNHMCQK-UHFFFAOYSA-N 2 0 317.477 2.662 20 0 DFADRP COc1ccc(C[C@@H](C)[NH2+]C[C@H]2CC[N@@H+](C(C)C)C2)cc1OC ZINC000320271774 398546589 /nfs/dbraw/zinc/54/65/89/398546589.db2.gz UFJZIWOKKGWGSI-NVXWUHKLSA-N 2 0 320.477 2.955 20 0 DFADRP [NH3+][C@H](CNC1CC[NH+](Cc2ccccc2)CC1)c1ccccc1 ZINC000035323239 398550586 /nfs/dbraw/zinc/55/05/86/398550586.db2.gz YEAUPUGLWQWBBE-HXUWFJFHSA-N 2 0 309.457 2.941 20 0 DFADRP CCC[N@@H+]1CC[C@H](CNCc2ccc(C(=O)OC)c(Cl)c2)C1 ZINC000597048179 398554731 /nfs/dbraw/zinc/55/47/31/398554731.db2.gz BLSWKRHEWJZAIL-CQSZACIVSA-N 2 0 324.852 2.948 20 0 DFADRP COC(=O)c1ccc(C[NH2+]CC2CC[NH+](C3CC3)CC2)cc1F ZINC000597119384 398570386 /nfs/dbraw/zinc/57/03/86/398570386.db2.gz UCVOJFKINGNUOH-UHFFFAOYSA-N 2 0 320.408 2.576 20 0 DFADRP CCN(CCC[NH+]1CCCC1)Cc1ccc(C(=O)OC)c(F)c1 ZINC000597130575 398572168 /nfs/dbraw/zinc/57/21/68/398572168.db2.gz USBFAEXQPSEXSD-UHFFFAOYSA-N 2 0 322.424 2.920 20 0 DFADRP COC(=O)c1ccc(C[NH2+]CCCC[N@H+](C)C2CC2)cc1F ZINC000597150528 398575885 /nfs/dbraw/zinc/57/58/85/398575885.db2.gz YUBNIHCCOMLTQE-UHFFFAOYSA-N 2 0 308.397 2.576 20 0 DFADRP [NH3+]Cc1ccc(C(=O)NC[C@@H](c2ccccc2)[NH+]2CCCC2)cc1 ZINC000071700412 191009471 /nfs/dbraw/zinc/00/94/71/191009471.db2.gz DRQYEVLLWHPNEY-IBGZPJMESA-N 2 0 323.440 2.712 20 0 DFADRP CCOC(=O)C1CCC([NH2+]Cc2ccccc2C[NH2+]C)CC1 ZINC000593319341 398597589 /nfs/dbraw/zinc/59/75/89/398597589.db2.gz VVBQECYJUYBVES-UHFFFAOYSA-N 2 0 304.434 2.618 20 0 DFADRP COC(=O)c1ccc(C[NH2+]CC2CC[NH+](CC3CC3)CC2)cc1 ZINC000597248325 398606498 /nfs/dbraw/zinc/60/64/98/398606498.db2.gz QHSFLLGZQQRGJF-UHFFFAOYSA-N 2 0 316.445 2.685 20 0 DFADRP COC(=O)[C@H]1C[C@H]([NH2+]C2CC[NH+]([C@@H]3CCC[C@@H](C)C3)CC2)C1 ZINC000597241870 398603627 /nfs/dbraw/zinc/60/36/27/398603627.db2.gz ISSOCLFSIAUAGM-MUIFIZLQSA-N 2 0 308.466 2.571 20 0 DFADRP COC(=O)c1ccc(C[NH2+]C[C@@H]2CCC[N@H+](CC3CC3)C2)cc1 ZINC000597257422 398608908 /nfs/dbraw/zinc/60/89/08/398608908.db2.gz SGIFPRZRUURTKN-KRWDZBQOSA-N 2 0 316.445 2.685 20 0 DFADRP COC(=O)c1ccc(C[NH2+]C[C@H]2CCC[N@H+](CC3CC3)C2)cc1 ZINC000597257424 398609287 /nfs/dbraw/zinc/60/92/87/398609287.db2.gz SGIFPRZRUURTKN-QGZVFWFLSA-N 2 0 316.445 2.685 20 0 DFADRP O=C(CC[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1)Nc1ccc(F)cc1 ZINC000150760008 186064685 /nfs/dbraw/zinc/06/46/85/186064685.db2.gz ACBUGAFWENGKRO-OAHLLOKOSA-N 2 0 319.424 2.572 20 0 DFADRP C[C@H]([NH2+]CC(C)(C)C[NH+](C)C)c1cccc(-n2ccnn2)c1 ZINC000287148385 219342491 /nfs/dbraw/zinc/34/24/91/219342491.db2.gz ZSCAQUYALAOZTO-AWEZNQCLSA-N 2 0 301.438 2.506 20 0 DFADRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H](C)c2ccncc2)[C@H](C)C1 ZINC000152496769 186079574 /nfs/dbraw/zinc/07/95/74/186079574.db2.gz LDSKFGRHVBWLDF-RYRKJORJSA-N 2 0 305.466 2.869 20 0 DFADRP CSc1ccc([C@@H](C)NC[C@H](O)C[NH+]2CCCCC2)cc1 ZINC000173345438 186179004 /nfs/dbraw/zinc/17/90/04/186179004.db2.gz KKMNFLASBDWAQP-ZBFHGGJFSA-N 2 0 308.491 2.906 20 0 DFADRP CC(C)[NH+]1CCC(C(=O)N2CC[NH+](CCC(C)(C)C)CC2)CC1 ZINC000174730005 535142938 /nfs/dbraw/zinc/14/29/38/535142938.db2.gz LBZJTEXQWXAEMQ-UHFFFAOYSA-N 2 0 323.525 2.687 20 0 DFADRP C[C@@H]([NH2+][C@H]1CCC[C@@H]1CCO)c1cccc(OCC[NH+](C)C)c1 ZINC000188025505 186245540 /nfs/dbraw/zinc/24/55/40/186245540.db2.gz PVHOVTORFXHQLN-MDZRGWNJSA-N 2 0 320.477 2.829 20 0 DFADRP CC[NH+](CC)Cc1ccc(CNC(=O)c2coc(C[NH3+])c2)cc1 ZINC000188040189 186247877 /nfs/dbraw/zinc/24/78/77/186247877.db2.gz MJIGTOKFZQTFDK-UHFFFAOYSA-N 2 0 315.417 2.510 20 0 DFADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)CCC2CC[NH2+]CC2)C1 ZINC000237508062 186298867 /nfs/dbraw/zinc/29/88/67/186298867.db2.gz YNUZTCVAXNVRDT-CALCHBBNSA-N 2 0 323.525 2.641 20 0 DFADRP CC[N@@H+]1CCC[C@@H]1CN[C@H]1CC[NH+](Cc2ccccc2)C[C@@H]1C ZINC000268754008 186379337 /nfs/dbraw/zinc/37/93/37/186379337.db2.gz YVZKTEUGQFDVQA-SXLOBPIMSA-N 2 0 315.505 2.971 20 0 DFADRP CCOc1ccc(C[NH2+]CC[C@@H]2CCC[N@H+](C)C2)cc1OC ZINC000459728607 299174754 /nfs/dbraw/zinc/17/47/54/299174754.db2.gz ILSPKPQEIYLBDA-HNNXBMFYSA-N 2 0 306.450 2.915 20 0 DFADRP C[C@@H]1C[C@@H](C[NH+]2CCC(CO)(Cc3ccccc3)CC2)CC[NH2+]1 ZINC000414763931 295819619 /nfs/dbraw/zinc/81/96/19/295819619.db2.gz YHAYNLSMHBVPMT-MJGOQNOKSA-N 2 0 316.489 2.692 20 0 DFADRP CCOc1cc(C[NH2+]CC[C@H](C)[NH3+])ccc1OCC(F)(F)F ZINC000414818458 295821717 /nfs/dbraw/zinc/82/17/17/295821717.db2.gz FAVSUSUMJPNNQK-NSHDSACASA-N 2 0 320.355 2.853 20 0 DFADRP COc1ccc(CC[C@H](C)[NH2+][C@@H](C)[C@@H]2CCC[NH2+]C2)cc1O ZINC000414819125 295821499 /nfs/dbraw/zinc/82/14/99/295821499.db2.gz GSNUXLGHHAAOLP-OFQRWUPVSA-N 2 0 306.450 2.700 20 0 DFADRP COc1ccc(Br)c(C[NH2+]CC[C@@H]2CC[NH2+]C2)c1 ZINC000414825474 295822466 /nfs/dbraw/zinc/82/24/66/295822466.db2.gz CGOKDKAYXIQYFF-NSHDSACASA-N 2 0 313.239 2.547 20 0 DFADRP C[NH2+]C[C@@H](C)C[NH2+][C@@H](C)CC(=O)Nc1ccc(C(C)C)cc1 ZINC000414830111 295823282 /nfs/dbraw/zinc/82/32/82/295823282.db2.gz BUWILYFCCYKXQM-CABCVRRESA-N 2 0 305.466 2.972 20 0 DFADRP C[C@H](CC(=O)Nc1ccc(F)cc1)[NH2+]CC[C@H]1CCC[NH2+]C1 ZINC000414831391 295823526 /nfs/dbraw/zinc/82/35/26/295823526.db2.gz DCAJIXVHRGSEGU-ZIAGYGMSSA-N 2 0 307.413 2.522 20 0 DFADRP c1ccc(COc2cccc(C[NH2+]C[C@H]3CCC[NH2+]C3)c2)nc1 ZINC000414831850 295823562 /nfs/dbraw/zinc/82/35/62/295823562.db2.gz QBGLNQQEHSMKGQ-KRWDZBQOSA-N 2 0 311.429 2.750 20 0 DFADRP Cc1ccc(NC(=O)C[NH+]2CCC(CC[NH+](C)C)CC2)cc1C ZINC000118868285 282752180 /nfs/dbraw/zinc/75/21/80/282752180.db2.gz TXZNOYCBVDLPQB-UHFFFAOYSA-N 2 0 317.477 2.906 20 0 DFADRP Fc1cc(C[NH2+]CC[C@H]2CC[NH2+]C2)ccc1Br ZINC000414842802 295825288 /nfs/dbraw/zinc/82/52/88/295825288.db2.gz ZLMCPKNVKXQZPU-SNVBAGLBSA-N 2 0 301.203 2.677 20 0 DFADRP CN(C)Cc1cnc(CN2CC[C@@H](O)[C@H](C3CCCC3)C2)s1 ZINC000459741430 299178895 /nfs/dbraw/zinc/17/88/95/299178895.db2.gz AETUJTRUURNESS-JKSUJKDBSA-N 2 0 323.506 2.578 20 0 DFADRP CCCn1c(C[NH2+]CC[C@H]2CCC[NH2+]C2)nc2ccccc21 ZINC000414850358 295825920 /nfs/dbraw/zinc/82/59/20/295825920.db2.gz MTVIEZDKYDHNOQ-OAHLLOKOSA-N 2 0 300.450 2.926 20 0 DFADRP COc1ccc(C[NH2+][C@H](C)[C@@H]2CCC[NH2+]C2)cc1OC(F)F ZINC000414846900 295825520 /nfs/dbraw/zinc/82/55/20/295825520.db2.gz FJIXVXPUHSARFT-DGCLKSJQSA-N 2 0 314.376 2.774 20 0 DFADRP C[N@@H+]1CCC[C@@H](CC[NH2+][C@@H]2CCCN(Cc3ccccc3)C2)C1 ZINC000459743866 299179545 /nfs/dbraw/zinc/17/95/45/299179545.db2.gz XCOXUYFBPAHDBV-VQTJNVASSA-N 2 0 315.505 2.973 20 0 DFADRP Oc1ccc(Br)c(C[NH2+]CC[C@H]2CCC[NH2+]C2)c1 ZINC000414857020 295827126 /nfs/dbraw/zinc/82/71/26/295827126.db2.gz ZMQGXYFNQUVBJT-LLVKDONJSA-N 2 0 313.239 2.634 20 0 DFADRP COCCOc1ccc(C[NH2+]CC[C@@H]2CCC[N@H+](C)C2)cc1 ZINC000459747020 299180414 /nfs/dbraw/zinc/18/04/14/299180414.db2.gz ZNMABMAWEPLFTO-KRWDZBQOSA-N 2 0 306.450 2.533 20 0 DFADRP [NH3+]CCCC[NH2+]Cc1cc(Cl)ccc1OC[C@@H]1CCCO1 ZINC000414898165 295831972 /nfs/dbraw/zinc/83/19/72/295831972.db2.gz DFDBKDVKEJORIZ-HNNXBMFYSA-N 2 0 312.841 2.726 20 0 DFADRP C[C@@]1(C[NH2+]Cc2c[nH]nc2-c2ccc(F)cc2)CCC[NH2+]C1 ZINC000414913365 295834102 /nfs/dbraw/zinc/83/41/02/295834102.db2.gz WNLPQFVSGUWMIL-QGZVFWFLSA-N 2 0 302.397 2.695 20 0 DFADRP [NH3+]CCCC[NH2+]Cc1nc(-c2cccc(Br)c2)c[nH]1 ZINC000414913542 295834115 /nfs/dbraw/zinc/83/41/15/295834115.db2.gz WEOORDXNTMSPAR-UHFFFAOYSA-N 2 0 323.238 2.668 20 0 DFADRP Cc1cccc(NC(=O)C[C@H](C)[NH2+]CC2(C)CC[NH2+]CC2)c1C ZINC000414914868 295834212 /nfs/dbraw/zinc/83/42/12/295834212.db2.gz YTPFUDIDMQPNSM-HNNXBMFYSA-N 2 0 317.477 3.000 20 0 DFADRP CCCOc1ccc(C[NH2+]CC2(C)CC[NH2+]CC2)cc1OC ZINC000414911465 295833902 /nfs/dbraw/zinc/83/39/02/295833902.db2.gz UBMYKUFJOQVFCD-UHFFFAOYSA-N 2 0 306.450 2.963 20 0 DFADRP CCOc1c(Cl)cc(C[NH2+][C@H]2CCC[NH2+]CC2)cc1OC ZINC000414919084 295834902 /nfs/dbraw/zinc/83/49/02/295834902.db2.gz UFZKKPRFAWCRMD-ZDUSSCGKSA-N 2 0 312.841 2.979 20 0 DFADRP COc1ccc(C[NH2+]C[C@@H]2CC[NH2+]C2)cc1OCCC(C)C ZINC000414917058 295834620 /nfs/dbraw/zinc/83/46/20/295834620.db2.gz QWNUNWPAYAWLNB-MRXNPFEDSA-N 2 0 306.450 2.819 20 0 DFADRP C[C@@H](CCc1ccc2c(c1)OCO2)[NH2+]C[C@]1(C)CCC[NH2+]C1 ZINC000414919318 295835118 /nfs/dbraw/zinc/83/51/18/295835118.db2.gz WRRIEZULWYPDQU-KBXCAEBGSA-N 2 0 304.434 2.716 20 0 DFADRP C[C@H]1C[C@@H]([NH2+]CC2CCN(c3ccccc3)CC2)CC[N@@H+]1C ZINC000280113138 215385238 /nfs/dbraw/zinc/38/52/38/215385238.db2.gz NSOPOFVARHSZHO-WMZOPIPTSA-N 2 0 301.478 2.975 20 0 DFADRP CCOC(=O)C1CCC([NH2+]C2CC[NH+](C(C)(C)C)CC2)CC1 ZINC000389579849 398669676 /nfs/dbraw/zinc/66/96/76/398669676.db2.gz XURHSDFIHBYICU-UHFFFAOYSA-N 2 0 310.482 2.961 20 0 DFADRP CC(C)n1ncc2cc(C[NH2+]CCC[C@@H]3CCC[NH2+]3)cnc21 ZINC000414972079 295842675 /nfs/dbraw/zinc/84/26/75/295842675.db2.gz LWOQDWWZPNLJCI-MRXNPFEDSA-N 2 0 301.438 2.634 20 0 DFADRP COc1ccc(CC[C@H](C)[NH2+]CCC[C@@H]2CCC[NH2+]2)cc1O ZINC000414971532 295842786 /nfs/dbraw/zinc/84/27/86/295842786.db2.gz WIDHILVVOJTYJO-GOEBONIOSA-N 2 0 306.450 2.844 20 0 DFADRP COCC1(C[NH2+]Cc2cccc3c2OC(C)(C)C3)CC[NH2+]CC1 ZINC000414966009 295842184 /nfs/dbraw/zinc/84/21/84/295842184.db2.gz BISSAFRRBBOYRS-UHFFFAOYSA-N 2 0 318.461 2.506 20 0 DFADRP c1ccc(CN2CCC([NH2+]CCC[C@H]3CCC[NH2+]3)CC2)cc1 ZINC000414974544 295843154 /nfs/dbraw/zinc/84/31/54/295843154.db2.gz NQYUKQIPKPSNEV-GOSISDBHSA-N 2 0 301.478 2.773 20 0 DFADRP COc1ccc(-c2n[nH]cc2C[NH2+]C[C@H]2CCC[C@H]([NH3+])C2)cc1 ZINC000414994235 295844989 /nfs/dbraw/zinc/84/49/89/295844989.db2.gz LXEBYTBEWPRNMT-BBRMVZONSA-N 2 0 314.433 2.692 20 0 DFADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+]C1CCN(CCC(F)(F)F)CC1 ZINC000415000679 295845876 /nfs/dbraw/zinc/84/58/76/295845876.db2.gz TXULCPZRXRAGDV-DOOHLRMFSA-N 2 0 319.415 2.509 20 0 DFADRP Cn1cc(C[NH2+][C@@H]2C[C@H]2C2CC[NH2+]CC2)c(-c2ccccc2)n1 ZINC000415005604 295846374 /nfs/dbraw/zinc/84/63/74/295846374.db2.gz JGFOOVQHCDAPRS-ZWKOTPCHSA-N 2 0 310.445 2.565 20 0 DFADRP C[C@@H]1CCCC[C@H]1[NH+]1CCC(N[C@H]2C[NH2+]CCC2(F)F)CC1 ZINC000415000528 295845798 /nfs/dbraw/zinc/84/57/98/295845798.db2.gz LFXFVNOSFIWHKJ-BMFZPTHFSA-N 2 0 315.452 2.616 20 0 DFADRP [NH3+][C@H]1CCC[C@H](C[NH2+]Cc2c[nH]nc2-c2ccccc2F)C1 ZINC000415004528 295846415 /nfs/dbraw/zinc/84/64/15/295846415.db2.gz YEJQGVWBMDUWLV-JSGCOSHPSA-N 2 0 302.397 2.823 20 0 DFADRP C[N@@H+]1CCC[C@H](CC[NH2+]Cc2cncc(Br)c2)C1 ZINC000459785734 299192678 /nfs/dbraw/zinc/19/26/78/299192678.db2.gz PCSACMLIODTIRS-GFCCVEGCSA-N 2 0 312.255 2.666 20 0 DFADRP CCOc1cc(C[NH2+][C@H](C)CCC[NH3+])ccc1OC(F)F ZINC000415028539 295848482 /nfs/dbraw/zinc/84/84/82/295848482.db2.gz YRDDYAXSPCMWRC-LLVKDONJSA-N 2 0 302.365 2.904 20 0 DFADRP COc1ccc(C[C@H](C)[NH2+]C[C@H]2CC[C@H](C[NH3+])CC2)cc1OC ZINC000415027901 295848495 /nfs/dbraw/zinc/84/84/95/295848495.db2.gz XNHYRDCQIJTQSQ-JYJNAYRXSA-N 2 0 320.477 2.990 20 0 DFADRP C[N@@H+]1CCC[C@@H](CC[NH2+]Cc2ccc(Br)o2)C1 ZINC000459787747 299193288 /nfs/dbraw/zinc/19/32/88/299193288.db2.gz PXEGGEGECCGBOM-NSHDSACASA-N 2 0 301.228 2.864 20 0 DFADRP C[C@H](CC(=O)N(C)c1ccccc1)[NH2+]CC[C@H]1CCC[N@H+](C)C1 ZINC000459789185 299193462 /nfs/dbraw/zinc/19/34/62/299193462.db2.gz QHESURUDEJSWOA-IAGOWNOFSA-N 2 0 317.477 2.750 20 0 DFADRP C([NH2+][C@H]1CCC[C@@H]2C[C@@H]21)C1(C[NH2+][C@H]2CCC[C@@H]3C[C@@H]32)COC1 ZINC000459790450 299194301 /nfs/dbraw/zinc/19/43/01/299194301.db2.gz SFTOWHWANKLCTP-ZMSHIADSSA-N 2 0 304.478 2.559 20 0 DFADRP COc1cc(C[NH2+][C@@H]2CC[C@H](C[NH3+])C2)ccc1OC(F)F ZINC000415047763 295851031 /nfs/dbraw/zinc/85/10/31/295851031.db2.gz WBQDRKYFUQHJEX-CMPLNLGQSA-N 2 0 300.349 2.514 20 0 DFADRP CN(C)c1ncc(C[NH2+][C@H](CCC[NH3+])c2ccccc2)s1 ZINC000415047161 295851145 /nfs/dbraw/zinc/85/11/45/295851145.db2.gz DXCOYXSQCGWTNR-OAHLLOKOSA-N 2 0 304.463 2.779 20 0 DFADRP COC(=O)c1ccc(Cl)c(C[NH2+]CC[C@H]2CCC[N@H+](C)C2)c1 ZINC000459794323 299195051 /nfs/dbraw/zinc/19/50/51/299195051.db2.gz UJIVXNOIPUBDPA-CYBMUJFWSA-N 2 0 324.852 2.948 20 0 DFADRP CSc1ccc([C@H](C)[NH2+]C[C@H](C)CN2CC[NH+](C)CC2)cc1 ZINC000173384529 198209492 /nfs/dbraw/zinc/20/94/92/198209492.db2.gz FFNJUKISRSUWQV-HOTGVXAUSA-N 2 0 321.534 2.943 20 0 DFADRP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)CO1 ZINC000401870361 398689255 /nfs/dbraw/zinc/68/92/55/398689255.db2.gz BLLUCVAOPBBQTC-VINWQNLFSA-N 2 0 300.446 2.664 20 0 DFADRP COc1ccc(C[NH2+][C@H](CCC[NH3+])c2ccccc2)cc1O ZINC000415072696 295854850 /nfs/dbraw/zinc/85/48/50/295854850.db2.gz YOVLPNQHYBXKFK-MRXNPFEDSA-N 2 0 300.402 2.971 20 0 DFADRP COc1ccccc1N1CCC([NH2+]C[C@H]2CC[NH2+][C@@H](C)C2)CC1 ZINC000415076533 295854999 /nfs/dbraw/zinc/85/49/99/295854999.db2.gz CTOKSSALNAGEFC-HOTGVXAUSA-N 2 0 317.477 2.642 20 0 DFADRP [NH3+]CC1CCC([NH2+][C@@H]2CCN(c3ccccc3Cl)C2=O)CC1 ZINC000415075953 295855056 /nfs/dbraw/zinc/85/50/56/295855056.db2.gz BVWPJTAVMMYIMM-SSDMNJCBSA-N 2 0 321.852 2.552 20 0 DFADRP CC[NH+](CC)C[C@H]1CCN(Cc2ccc3c(c2)OCCO3)C1 ZINC000173782623 198251831 /nfs/dbraw/zinc/25/18/31/198251831.db2.gz SFLXEPCHPOXQDI-MRXNPFEDSA-N 2 0 304.434 2.622 20 0 DFADRP C[C@@H]([NH2+]C1CCC(C[NH3+])CC1)c1cccc(N2CCCC2=O)c1 ZINC000415081137 295855648 /nfs/dbraw/zinc/85/56/48/295855648.db2.gz KFNZPOMHCKCATE-HPUBIQBYSA-N 2 0 315.461 2.982 20 0 DFADRP Clc1ccccc1N1CCC[C@@H]([NH2+]C[C@H]2CCC[NH2+]C2)C1 ZINC000415085205 295856151 /nfs/dbraw/zinc/85/61/51/295856151.db2.gz QMQRHZFDBAZUMC-LSDHHAIUSA-N 2 0 307.869 2.898 20 0 DFADRP C[C@H](C[C@@H]1CCC[NH2+]1)[NH2+][C@H]1CCO[C@H]1c1ccc(F)c(F)c1 ZINC000415082294 295855963 /nfs/dbraw/zinc/85/59/63/295855963.db2.gz DDGHTDKSAHPKMN-DTJGQCLQSA-N 2 0 310.388 2.915 20 0 DFADRP C[N@@H+](CCC(=O)Nc1ccccc1)CC[C@@H]1CCCC[NH+]1C ZINC000173956162 198272562 /nfs/dbraw/zinc/27/25/62/198272562.db2.gz HVFZLAQMQASNLI-KRWDZBQOSA-N 2 0 303.450 2.821 20 0 DFADRP CC[NH+]1CCN(c2cccc(NC3CCC([NH3+])CC3)c2)CC1 ZINC000415094666 295857332 /nfs/dbraw/zinc/85/73/32/295857332.db2.gz FIECOLXSPQJEIQ-UHFFFAOYSA-N 2 0 302.466 2.510 20 0 DFADRP CC(C)Oc1cccc(C[NH2+]CCCN2CCC[N@H+](C)CC2)c1 ZINC000105476436 398693566 /nfs/dbraw/zinc/69/35/66/398693566.db2.gz DANZTGXDCUFVBM-UHFFFAOYSA-N 2 0 319.493 2.591 20 0 DFADRP CCOc1cccc(C[NH+]2CCC([C@@H]3OCCC[C@H]3[NH3+])CC2)c1 ZINC000415102495 295858357 /nfs/dbraw/zinc/85/83/57/295858357.db2.gz CKCHYPAKRSEWEJ-MOPGFXCFSA-N 2 0 318.461 2.804 20 0 DFADRP [NH3+][C@H]1CCCO[C@H]1C1CC[NH+](Cc2cc(F)cc(F)c2)CC1 ZINC000415106538 295858938 /nfs/dbraw/zinc/85/89/38/295858938.db2.gz JQULCDLYQOZZJD-IRXDYDNUSA-N 2 0 310.388 2.683 20 0 DFADRP Cc1cc(C[NH+]2CCC([C@H]3OCCC[C@H]3[NH3+])CC2)ccc1F ZINC000415111233 295859374 /nfs/dbraw/zinc/85/93/74/295859374.db2.gz QJFJVJPOZLGQMW-QZTJIDSGSA-N 2 0 306.425 2.852 20 0 DFADRP CC[NH+](CC)C[C@@H]1CC[N@H+](CCC(=O)Nc2cccc(F)c2)C1 ZINC000174206900 198306611 /nfs/dbraw/zinc/30/66/11/198306611.db2.gz AHSYPVDIGWDTTF-HNNXBMFYSA-N 2 0 321.440 2.818 20 0 DFADRP COc1ccc2c(c1)OC[C@H]([NH2+][C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1)C2 ZINC000415117610 295860176 /nfs/dbraw/zinc/86/01/76/295860176.db2.gz VTDUQVYXABDFMG-LAVFITLUSA-N 2 0 316.445 2.509 20 0 DFADRP COc1cc(C[NH+]2CCC([C@@H]3C[C@H]([NH3+])CCO3)CC2)ccc1C ZINC000415127256 295861866 /nfs/dbraw/zinc/86/18/66/295861866.db2.gz QQMNJLYCBQTTRX-MJGOQNOKSA-N 2 0 318.461 2.722 20 0 DFADRP C[C@@H]1CCC[C@H]([NH2+]Cc2ccc(C(=O)NCC[NH+](C)C)cc2)C1 ZINC000174411260 198331560 /nfs/dbraw/zinc/33/15/60/198331560.db2.gz RZLRLITVQLTMQL-QAPCUYQASA-N 2 0 317.477 2.646 20 0 DFADRP Cn1cc(C[NH2+]Cc2ccccc2C[N@H+](C)Cc2ccco2)cn1 ZINC000174451159 198336828 /nfs/dbraw/zinc/33/68/28/198336828.db2.gz AVIFIYPXMGPAJB-UHFFFAOYSA-N 2 0 324.428 2.935 20 0 DFADRP [NH3+][C@@H]1CCCO[C@H]1C1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000415127478 295862162 /nfs/dbraw/zinc/86/21/62/295862162.db2.gz NGRIBSDABMVRMY-PWEOZXLSSA-N 2 0 300.446 2.918 20 0 DFADRP C[C@H]1C[C@@H]([NH2+]Cc2ccc(OCCC[NH+](C)C)cc2)CC[N@@H+]1C ZINC000174517302 198344395 /nfs/dbraw/zinc/34/43/95/198344395.db2.gz YVLBLBWOBXKIIA-WMZOPIPTSA-N 3 0 319.493 2.589 20 0 DFADRP C[C@@H]([NH2+]Cc1ccc(OCCC[NH+](C)C)cc1)[C@H]1CCOC1 ZINC000174540649 198350217 /nfs/dbraw/zinc/35/02/17/198350217.db2.gz MNDKWQMLLLWROB-WBVHZDCISA-N 2 0 306.450 2.532 20 0 DFADRP C[C@@H](C(=O)NCc1ccc(C[N@@H+]2CCCC[C@H]2C)cc1)[C@H](C)[NH3+] ZINC000277063005 213269350 /nfs/dbraw/zinc/26/93/50/213269350.db2.gz NNCQHWGDLKABTA-OAGGEKHMSA-N 2 0 317.477 2.661 20 0 DFADRP CCCC[NH+]1CCC(NC(=O)C2(C[NH+](C)C)CCCCC2)CC1 ZINC000460199291 299211245 /nfs/dbraw/zinc/21/12/45/299211245.db2.gz TYTKAQBKVQFKPA-UHFFFAOYSA-N 2 0 323.525 2.879 20 0 DFADRP CC[NH+]1CCN([C@H](C)C[NH2+][C@H]2CCC[C@H](C(F)(F)F)C2)CC1 ZINC000129292140 283009635 /nfs/dbraw/zinc/00/96/35/283009635.db2.gz NTUGEOQJMWFLDW-ILXRZTDVSA-N 2 0 321.431 2.723 20 0 DFADRP Fc1cccc(CCC[NH+]2CCC(C[NH+]3CCOCC3)CC2)c1 ZINC000182660849 199471043 /nfs/dbraw/zinc/47/10/43/199471043.db2.gz KSMUHOMEMHMDGP-UHFFFAOYSA-N 2 0 320.452 2.803 20 0 DFADRP C[C@H]1C[C@H](C)C[NH+](CCCC[NH2+]Cc2c(Cl)cnn2C)C1 ZINC000130515013 283051196 /nfs/dbraw/zinc/05/11/96/283051196.db2.gz ONUOXTCHZVSTJO-KBPBESRZSA-N 2 0 312.889 2.921 20 0 DFADRP C[NH+]1CCC(O)(C[NH2+]C2c3ccccc3-c3ccccc32)CC1 ZINC000272296975 209687514 /nfs/dbraw/zinc/68/75/14/209687514.db2.gz CLSBCTZLTSRBGL-UHFFFAOYSA-N 2 0 308.425 2.803 20 0 DFADRP C[NH+](C)[C@@H]1CCc2cc(NC(=O)N[C@H]3CCC[C@H]([NH3+])C3)ccc21 ZINC000332566953 235115670 /nfs/dbraw/zinc/11/56/70/235115670.db2.gz UPFIYVYHTDCDKL-GRDNDAEWSA-N 2 0 316.449 2.627 20 0 DFADRP CC[NH+](CC)[C@@H](CNC(=O)CC1CC[NH2+]CC1)c1ccccc1 ZINC000236820233 202024863 /nfs/dbraw/zinc/02/48/63/202024863.db2.gz LCOTZJQWPCKKKE-SFHVURJKSA-N 2 0 317.477 2.575 20 0 DFADRP C[NH2+]Cc1cccc(NC(=O)NC[C@H](C)C[NH+]2CCCCC2)c1 ZINC000415924957 295902801 /nfs/dbraw/zinc/90/28/01/295902801.db2.gz ZHMOUMWIPHQVCB-HNNXBMFYSA-N 2 0 318.465 2.650 20 0 DFADRP CCCN(CCC[NH+](C)C)C(=O)Nc1ccccc1C[NH2+]CC ZINC000415934545 295904020 /nfs/dbraw/zinc/90/40/20/295904020.db2.gz SANUIIRSTXIQLW-UHFFFAOYSA-N 2 0 320.481 2.992 20 0 DFADRP COc1cc2c(cc1CN[C@@H]1C[C@H](C)[N@H+](C)C[C@@H]1C)O[C@@H](C)C2 ZINC000132066981 283109254 /nfs/dbraw/zinc/10/92/54/283109254.db2.gz GROABNQIGXYUOE-AYMQEEERSA-N 2 0 318.461 2.837 20 0 DFADRP CC[NH+](CC)CCN(CC(C)C)C(=O)Nc1ccc(C[NH3+])cc1 ZINC000415979340 295908055 /nfs/dbraw/zinc/90/80/55/295908055.db2.gz QMRRNYFTLSIWQJ-UHFFFAOYSA-N 2 0 320.481 2.977 20 0 DFADRP C[NH+](C)CC[C@H](NC(=O)Nc1ccc2c(c1)C[NH2+]C2)C(C)(C)C ZINC000415995743 295910039 /nfs/dbraw/zinc/91/00/39/295910039.db2.gz LELUIWJKJZYMLK-INIZCTEOSA-N 2 0 318.465 2.778 20 0 DFADRP CC[N@H+](CC(=O)NC[C@H](c1ccccc1)[NH+](C)C)CC(C)(C)C ZINC000463372593 299237092 /nfs/dbraw/zinc/23/70/92/299237092.db2.gz SZLHCXHVUBPRTF-QGZVFWFLSA-N 2 0 319.493 2.774 20 0 DFADRP CC[NH+](CC)CC1CC[NH+](CC(=O)N[C@@H]2CCCC[C@@H]2C)CC1 ZINC000047977276 398766829 /nfs/dbraw/zinc/76/68/29/398766829.db2.gz SGHLEDAMKBGUAY-FUHWJXTLSA-N 2 0 323.525 2.735 20 0 DFADRP C[C@@H]1CCC[N@H+](CCCCNC(=O)CC2(C[NH3+])CCCCC2)C1 ZINC000184224617 199689933 /nfs/dbraw/zinc/68/99/33/199689933.db2.gz DRLRCESNJLHKRZ-QGZVFWFLSA-N 2 0 323.525 2.914 20 0 DFADRP CC[NH+](CC)CC1CC[NH+](CC(=O)N(C)c2ccccc2)CC1 ZINC000047978570 398767265 /nfs/dbraw/zinc/76/72/65/398767265.db2.gz KIBWXNRGNDOPBT-UHFFFAOYSA-N 2 0 317.477 2.703 20 0 DFADRP CC[NH+]1CCC(CCNC(=O)[C@H](C)[C@H]([NH3+])c2ccccc2)CC1 ZINC000236852212 202037017 /nfs/dbraw/zinc/03/70/17/202037017.db2.gz GRVMVOPYLPFSPE-QAPCUYQASA-N 2 0 317.477 2.561 20 0 DFADRP CCN1CC[NH+](CCCC[NH2+]C[C@H](C)c2ccccc2)CC1 ZINC000236875958 202047887 /nfs/dbraw/zinc/04/78/87/202047887.db2.gz KEOQLXIXJXUSKX-SFHVURJKSA-N 2 0 303.494 2.797 20 0 DFADRP CC[NH+](CC)[C@H](CNC(=O)C[C@H]([NH3+])c1ccccc1)CC(C)C ZINC000236877866 202048360 /nfs/dbraw/zinc/04/83/60/202048360.db2.gz YMZXUJDFVGSZMY-ROUUACIJSA-N 2 0 319.493 2.949 20 0 DFADRP CC[C@H](C)[C@H]([NH3+])C(=O)NCc1cccc(C[NH+](CC)CC)c1 ZINC000236888078 202055352 /nfs/dbraw/zinc/05/53/52/202055352.db2.gz ZQYPNMLDCGTSTH-YOEHRIQHSA-N 2 0 305.466 2.518 20 0 DFADRP CC[C@@H](C)[C@H]([NH3+])C(=O)N1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000236892571 202057252 /nfs/dbraw/zinc/05/72/52/202057252.db2.gz QRLOKGSBZVYCIA-RYRKJORJSA-N 2 0 323.525 2.863 20 0 DFADRP CC[NH+](CC)Cc1ccccc1CNC(=O)[C@@H]([NH3+])CC(C)C ZINC000236907495 202065014 /nfs/dbraw/zinc/06/50/14/202065014.db2.gz VUIPFGMWGLIQLP-KRWDZBQOSA-N 2 0 305.466 2.518 20 0 DFADRP CC[NH+]1CCN(CCCC[NH2+]Cc2ccc([C@H]3C[C@@H]3C)o2)CC1 ZINC000236940784 202082419 /nfs/dbraw/zinc/08/24/19/202082419.db2.gz ZALVROPWCZQSRI-WMZOPIPTSA-N 2 0 319.493 2.910 20 0 DFADRP CCCC[C@H](C[NH3+])NC(=O)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000236919604 202071422 /nfs/dbraw/zinc/07/14/22/202071422.db2.gz TYJYYWUXKPIYHU-ZWKOTPCHSA-N 2 0 317.477 2.532 20 0 DFADRP C(COC[C@H]1CCCO1)[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000121000369 398785065 /nfs/dbraw/zinc/78/50/65/398785065.db2.gz WWRIJFAJALJPLL-GOSISDBHSA-N 2 0 310.482 2.569 20 0 DFADRP CC[C@@H](C)[C@H]([NH3+])C(=O)Nc1ccc(CC[NH+]2CCCC2)cc1 ZINC000236981678 202106428 /nfs/dbraw/zinc/10/64/28/202106428.db2.gz FWUNJAHZIUKYLW-PBHICJAKSA-N 2 0 303.450 2.637 20 0 DFADRP CCC[NH+](CCC)CCCC(=O)N(C)[C@H]1CC[N@H+](C)C[C@H]1C ZINC000247553573 283209113 /nfs/dbraw/zinc/20/91/13/283209113.db2.gz YZJAWRLVFUQBHU-SJORKVTESA-N 2 0 311.514 2.687 20 0 DFADRP C[NH2+]C[C@@H](C)C(=O)NCc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000237217204 202193046 /nfs/dbraw/zinc/19/30/46/202193046.db2.gz ZIFBVEKXOPQKQR-MRXNPFEDSA-N 2 0 317.477 2.534 20 0 DFADRP COCCC[NH+]1CCC([NH2+]Cc2cccc3cc[nH]c32)CC1 ZINC000237204807 202188527 /nfs/dbraw/zinc/18/85/27/202188527.db2.gz VRYYHUCAIZJWTO-UHFFFAOYSA-N 2 0 301.434 2.758 20 0 DFADRP COCCC[NH+]1CCC([NH2+]Cc2cccc3[nH]ccc32)CC1 ZINC000237204758 202188593 /nfs/dbraw/zinc/18/85/93/202188593.db2.gz CHNQGMIQLIIENI-UHFFFAOYSA-N 2 0 301.434 2.758 20 0 DFADRP CC(C)CC[NH+]1CCC(CNC(=O)C[NH+]2CCC(C)CC2)CC1 ZINC000137577984 283253291 /nfs/dbraw/zinc/25/32/91/283253291.db2.gz AWCYYBKMGGHLAJ-UHFFFAOYSA-N 2 0 323.525 2.593 20 0 DFADRP CC(C)c1ccc(CC[NH2+]CCCN2CC[NH+](C)CC2)cc1 ZINC000139061671 283258795 /nfs/dbraw/zinc/25/87/95/283258795.db2.gz LWWIXQPTZKYEGW-UHFFFAOYSA-N 2 0 303.494 2.580 20 0 DFADRP C[C@@H]1C[C@@H]([NH3+])CCN1Cc1ccc(F)cc1Br ZINC000124572074 398803473 /nfs/dbraw/zinc/80/34/73/398803473.db2.gz QJGKSELOZAMDSF-SKDRFNHKSA-N 2 0 301.203 2.900 20 0 DFADRP CCCC[C@@H](C(=O)OC)[N@@H+]1CC[C@H](CNc2cccc(C)[nH+]2)C1 ZINC000151110997 283276010 /nfs/dbraw/zinc/27/60/10/283276010.db2.gz VYIXLFCFBHWIPW-CVEARBPZSA-N 2 0 319.449 2.856 20 0 DFADRP CC[NH+](CC)[C@@H](C)CNC(=O)c1ccc(C[NH+]2CCCC2)cc1 ZINC000075609450 398813212 /nfs/dbraw/zinc/81/32/12/398813212.db2.gz XUINZYUCJAYJIA-INIZCTEOSA-N 2 0 317.477 2.743 20 0 DFADRP CCCC[N@H+](C)CC1CC[NH+](CCC(=O)N2CCC[C@@H]2C)CC1 ZINC000075642722 398814572 /nfs/dbraw/zinc/81/45/72/398814572.db2.gz SPJNEFMLXMGDMX-KRWDZBQOSA-N 2 0 323.525 2.831 20 0 DFADRP Cc1ccc(NCCCNC(=O)[C@@H](C)[N@H+]2[C@H](C)CC[C@@H]2C)nc1 ZINC000127720152 398822721 /nfs/dbraw/zinc/82/27/21/398822721.db2.gz NDRHYGCEYDYUKO-OWCLPIDISA-N 2 0 318.465 2.570 20 0 DFADRP C[C@H]1C[C@H]([NH3+])CC[N@@H+]1CCCc1nc(-c2cccs2)no1 ZINC000129066715 398833824 /nfs/dbraw/zinc/83/38/24/398833824.db2.gz WZJLVGJYYINRRX-NWDGAFQWSA-N 2 0 306.435 2.542 20 0 DFADRP C[C@@H](C(=O)NC(C)(C)C)[NH+]1CCC(C[NH+]2CCC(C)CC2)CC1 ZINC000052184988 398833896 /nfs/dbraw/zinc/83/38/96/398833896.db2.gz VYWZMIKPKJUDIX-INIZCTEOSA-N 2 0 323.525 2.734 20 0 DFADRP CC(C)OC(=O)C[C@@H]([NH2+]C1CC[NH+](CC2CC2)CC1)C(C)C ZINC000594624429 398834542 /nfs/dbraw/zinc/83/45/42/398834542.db2.gz PHIAIUZYNSDXDB-QGZVFWFLSA-N 2 0 310.482 2.817 20 0 DFADRP CC[C@](C)(O)C[NH2+][C@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000180164563 199124635 /nfs/dbraw/zinc/12/46/35/199124635.db2.gz RTVHIXHQPCSCDJ-VJANTYMQSA-N 2 0 302.462 2.648 20 0 DFADRP COC(=O)c1ccc(C[N@@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)cc1 ZINC000594734978 398852116 /nfs/dbraw/zinc/85/21/16/398852116.db2.gz GYJFGVSXGGMQLB-GOSISDBHSA-N 2 0 316.445 2.685 20 0 DFADRP C[C@@H](CC(=O)NC1CC[NH+](C2CCCC2)CC1)C1CC[NH2+]CC1 ZINC000237399625 202254534 /nfs/dbraw/zinc/25/45/34/202254534.db2.gz WFWCEZYPEJOPLF-HNNXBMFYSA-N 2 0 321.509 2.535 20 0 DFADRP COC(=O)[C@@H]1C[C@@H]1[C@@H](C)[NH2+]CCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000594926857 398874022 /nfs/dbraw/zinc/87/40/22/398874022.db2.gz WJNLUTGISNAPDS-ZHCJQAHYSA-N 2 0 310.482 2.532 20 0 DFADRP COC(=O)[C@@H]1C[C@@H]1[C@H](C)[NH2+]Cc1ccc(C[NH+]2CCCC2)cc1 ZINC000594920071 398871080 /nfs/dbraw/zinc/87/10/80/398871080.db2.gz RQEOONQSHYXRIF-BMGDILEWSA-N 2 0 316.445 2.570 20 0 DFADRP CCO[C@@H](CC[NH+](C)C)C[NH2+]Cc1ccc(OCC2CC2)cc1 ZINC000276633001 213013147 /nfs/dbraw/zinc/01/31/47/213013147.db2.gz OPHQGPBJERHTMU-IBGZPJMESA-N 2 0 320.477 2.922 20 0 DFADRP COC(=O)[C@@H]1C[C@@H]1[C@@H](C)[NH2+]C[C@H]1CCC[N@@H+]1C1CCCCC1 ZINC000594938438 398876811 /nfs/dbraw/zinc/87/68/11/398876811.db2.gz WDMFDGKIKWASSB-MWQQHZPXSA-N 2 0 308.466 2.571 20 0 DFADRP C[C@@H]1C[N@H+](Cc2ccccc2)CCN1CC[NH+]1CCCCC1 ZINC000077175558 398885522 /nfs/dbraw/zinc/88/55/22/398885522.db2.gz BVXUMUNZMVJCEJ-GOSISDBHSA-N 2 0 301.478 2.679 20 0 DFADRP C[C@H](c1cccc(F)c1)[N@H+](C)CCN(C)C1CC[NH+](C)CC1 ZINC000180945288 199232383 /nfs/dbraw/zinc/23/23/83/199232383.db2.gz KHAPVDDTXKETCK-OAHLLOKOSA-N 2 0 307.457 2.845 20 0 DFADRP C[C@@H](CSCCF)[NH2+]CC1CCN(c2cc[nH+]cc2)CC1 ZINC000595016453 398892654 /nfs/dbraw/zinc/89/26/54/398892654.db2.gz ZCHLBYWQNJNWSH-AWEZNQCLSA-N 2 0 311.470 2.979 20 0 DFADRP C[C@H]([NH2+]C[C@@H]1C[C@H]1C)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000469111438 299284013 /nfs/dbraw/zinc/28/40/13/299284013.db2.gz UCBMORZSRSIBJN-ILXRZTDVSA-N 2 0 305.441 2.884 20 0 DFADRP Cn1cc(CCC[NH+]2CCC(C[NH+]3CCCCCC3)CC2)cn1 ZINC000054316867 398896014 /nfs/dbraw/zinc/89/60/14/398896014.db2.gz SSBRGXJJDVQECT-UHFFFAOYSA-N 2 0 318.509 2.941 20 0 DFADRP CC[NH+](CC)CCC[N@@H+]1CCCN2c3ccccc3C[C@@H]2C1 ZINC000142313630 398897728 /nfs/dbraw/zinc/89/77/28/398897728.db2.gz SGHTZDCUESVEFD-GOSISDBHSA-N 2 0 301.478 2.855 20 0 DFADRP CCOC(=O)c1[nH]c(C)c(C[NH2+]CC2CC[NH+](CC)CC2)c1C ZINC000598962376 398898503 /nfs/dbraw/zinc/89/85/03/398898503.db2.gz GQVLJXNACDNPBX-UHFFFAOYSA-N 2 0 321.465 2.630 20 0 DFADRP CC(C)[C@@H](C[NH2+][C@@H](C)Cc1ccccc1F)N1CC[NH+](C)CC1 ZINC000186740307 200001083 /nfs/dbraw/zinc/00/10/83/200001083.db2.gz YEDCPUILDPCOTK-QFBILLFUSA-N 2 0 321.484 2.618 20 0 DFADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]CC2(SCC)CC2)[C@H](C)C1 ZINC000595098226 398904399 /nfs/dbraw/zinc/90/43/99/398904399.db2.gz DZIINMKKZMTMGE-CVEARBPZSA-N 2 0 314.539 2.999 20 0 DFADRP c1cc(CCC[NH2+][C@H]2CC[N@@H+]3CCCC[C@H]23)cc2c1OCC2 ZINC000281015206 216023782 /nfs/dbraw/zinc/02/37/82/216023782.db2.gz YYHAASUFGLLRTI-ZWKOTPCHSA-N 2 0 300.446 2.771 20 0 DFADRP CC(C)[C@@H](Cc1ccccc1)[NH2+]CCN1CCC([NH+](C)C)CC1 ZINC000187278684 200087629 /nfs/dbraw/zinc/08/76/29/200087629.db2.gz WOOXARWYYCJKJF-HXUWFJFHSA-N 2 0 317.521 2.869 20 0 DFADRP COC(=O)CC1CCC([NH2+]C[C@H](C)C[NH+]2CCCCC2)CC1 ZINC000599023133 398909282 /nfs/dbraw/zinc/90/92/82/398909282.db2.gz BTBHCYWLAIESCG-GTPINHCMSA-N 2 0 310.482 2.820 20 0 DFADRP CC[C@H]([NH2+]CCCN1CCC[N@H+](C)CC1)c1cccc(F)c1 ZINC000187968020 200184970 /nfs/dbraw/zinc/18/49/70/200184970.db2.gz DCGSJPIRVQFZTO-SFHVURJKSA-N 2 0 307.457 2.894 20 0 DFADRP C[C@]1(C(=O)Nc2ccc(CC[NH+]3CCCC3)cc2)CCCC[NH2+]1 ZINC000237606695 202300887 /nfs/dbraw/zinc/30/08/87/202300887.db2.gz WLTJYFAZXJCZEL-LJQANCHMSA-N 2 0 315.461 2.796 20 0 DFADRP C[C@@]1(C(=O)Nc2ccc(CC[NH+]3CCCC3)cc2)CCCC[NH2+]1 ZINC000237619951 202307034 /nfs/dbraw/zinc/30/70/34/202307034.db2.gz WLTJYFAZXJCZEL-IBGZPJMESA-N 2 0 315.461 2.796 20 0 DFADRP C[C@@]1(C(=O)NC[C@@H](c2cccs2)[NH+]2CCCC2)CCCC[NH2+]1 ZINC000237588288 202295045 /nfs/dbraw/zinc/29/50/45/202295045.db2.gz XTXAIKKUUDMSQC-YOEHRIQHSA-N 2 0 321.490 2.533 20 0 DFADRP CC[C@@H](CO)[NH2+][C@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000188667056 200283787 /nfs/dbraw/zinc/28/37/87/200283787.db2.gz JKESBSOVORLJMF-VJANTYMQSA-N 2 0 302.462 2.648 20 0 DFADRP C[C@@H](O)[C@@](C)(C[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1)Cc1ccccc1 ZINC000188902132 200319716 /nfs/dbraw/zinc/31/97/16/200319716.db2.gz OXGFUDFMGQIQAQ-OGWHTMIXSA-N 2 0 304.478 2.689 20 0 DFADRP Cc1nccn1-c1ccc([C@H](C)[NH2+]CCc2cncn2C)cc1 ZINC000471776024 299303706 /nfs/dbraw/zinc/30/37/06/299303706.db2.gz WJVHPXQDHCRNDJ-AWEZNQCLSA-N 3 0 309.417 2.808 20 0 DFADRP C[C@@H](CN1CC[NH+](C)CC1)[NH2+][C@@H]1CC[C@H](Cc2ccccc2)C1 ZINC000189174452 200360467 /nfs/dbraw/zinc/36/04/67/200360467.db2.gz OWNBAJJWVYWJSV-DFQSSKMNSA-N 2 0 315.505 2.623 20 0 DFADRP C[C@H]([NH2+]C[C@@H](O)C[NH+]1CCCCC1)[C@@H]1C[C@H]1c1cccs1 ZINC000417339467 296011811 /nfs/dbraw/zinc/01/18/11/296011811.db2.gz LCTSNDLPJNBOMS-XUWVNRHRSA-N 2 0 308.491 2.677 20 0 DFADRP CC[NH+](CC)Cc1ccc(CNC(=O)[C@H]2CCCC[N@@H+]2C)cc1 ZINC000599296121 398950075 /nfs/dbraw/zinc/95/00/75/398950075.db2.gz SEYVJALJAPSQEY-GOSISDBHSA-N 2 0 317.477 2.629 20 0 DFADRP CCCc1occc1C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C ZINC000281306547 216227039 /nfs/dbraw/zinc/22/70/39/216227039.db2.gz QDMKNWAJZQRJHA-UHFFFAOYSA-N 2 0 323.481 2.578 20 0 DFADRP CN(c1ccccc1C[NH2+][C@H]1CCSC1)C1CC[NH+](C)CC1 ZINC000271958749 209340904 /nfs/dbraw/zinc/34/09/04/209340904.db2.gz TXZQAGMAWXRCLD-INIZCTEOSA-N 2 0 319.518 2.812 20 0 DFADRP Cn1ccnc1CN1CCCC[C@@H]1[C@H](C[NH3+])Cc1ccccc1 ZINC000472344775 299324147 /nfs/dbraw/zinc/32/41/47/299324147.db2.gz LSKKLEOWECOOFH-ZWKOTPCHSA-N 2 0 312.461 2.592 20 0 DFADRP Cc1cc(NC(=O)CC[C@@H](C)[NH3+])ccc1OCC[NH+]1CCCC1 ZINC000193317244 201028456 /nfs/dbraw/zinc/02/84/56/201028456.db2.gz UBZFTZMOVUPQLH-OAHLLOKOSA-N 2 0 319.449 2.536 20 0 DFADRP COC(=O)c1oc(C[NH+]2CCC(CC[NH+](C)C)CC2)cc1C ZINC000056523430 398975774 /nfs/dbraw/zinc/97/57/74/398975774.db2.gz SJSJLUPNTQRAES-UHFFFAOYSA-N 2 0 308.422 2.538 20 0 DFADRP [NH3+]C1(CNC(=O)NCCCCC[NH+]2CCCCC2)CCCCC1 ZINC000417695201 296041649 /nfs/dbraw/zinc/04/16/49/296041649.db2.gz AFWWWHOABLXEDX-UHFFFAOYSA-N 2 0 324.513 2.603 20 0 DFADRP c1ccc(NCCCC[NH2+][C@@H]2[C@H]3CCO[C@H]3C23CCC3)nc1 ZINC000194020110 201163646 /nfs/dbraw/zinc/16/36/46/201163646.db2.gz ULDFSWNDECDEAS-DJIMGWMZSA-N 2 0 301.434 2.821 20 0 DFADRP CC[NH+]1CCN(CCC[NH2+]CC[C@@H](C)c2ccccc2)CC1 ZINC000194551494 201249683 /nfs/dbraw/zinc/24/96/83/201249683.db2.gz LWBPHEZYBUGXII-GOSISDBHSA-N 2 0 303.494 2.797 20 0 DFADRP C[C@H]([NH2+]CCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1)c1cccc(O)c1 ZINC000194872376 201304343 /nfs/dbraw/zinc/30/43/43/201304343.db2.gz RIWOLJXUPCDYAR-XHSDSOJGSA-N 2 0 306.450 2.932 20 0 DFADRP c1ccc(CC[NH+]2CCC(N[C@@H]3CC[N@@H+](C4CC4)C3)CC2)cc1 ZINC000195267006 201370065 /nfs/dbraw/zinc/37/00/65/201370065.db2.gz WMDXSUZTYASPOG-LJQANCHMSA-N 2 0 313.489 2.520 20 0 DFADRP CC(C)(C(=O)Nc1ccc2c(c1)C[NH2+]CC2)[C@@H]([NH3+])c1ccccc1 ZINC000417800394 296052286 /nfs/dbraw/zinc/05/22/86/296052286.db2.gz SOGBPYPVSKDREF-SFHVURJKSA-N 2 0 323.440 2.997 20 0 DFADRP C[C@H]1CCC[C@](CNC(=O)CC2C[C@H]3CC[C@@H](C2)[NH2+]3)([NH+](C)C)C1 ZINC000246987275 202633286 /nfs/dbraw/zinc/63/32/86/202633286.db2.gz QODSKOJTYPTMGA-HFFGGIOOSA-N 2 0 321.509 2.534 20 0 DFADRP CC[NH+](CC)Cc1cccc(C[NH2+]Cc2cc(C)nn2C)c1 ZINC000417867263 296059208 /nfs/dbraw/zinc/05/92/08/296059208.db2.gz FFBLCSJMYYSQOY-UHFFFAOYSA-N 2 0 300.450 2.860 20 0 DFADRP CC(C)[C@H](CNC(=O)CC[C@H]1CCC[NH2+]C1)[NH+]1CCC(C)CC1 ZINC000621642769 399007779 /nfs/dbraw/zinc/00/77/79/399007779.db2.gz VSHPUEJTXPGEFD-MSOLQXFVSA-N 2 0 323.525 2.639 20 0 DFADRP CC[NH+]1CCN([C@H](C)C[NH2+][C@H](c2ccccc2)C(C)C)CC1 ZINC000091285550 193031737 /nfs/dbraw/zinc/03/17/37/193031737.db2.gz QBSZNRRVQOQYJK-MJGOQNOKSA-N 2 0 303.494 2.999 20 0 DFADRP CC[NH+]1CCN([C@@H](C)C[NH2+][C@@H](c2ccccc2)C2CC2)CC1 ZINC000091285551 193032257 /nfs/dbraw/zinc/03/22/57/193032257.db2.gz JBBPHTANJOCUPZ-LPHOPBHVSA-N 2 0 301.478 2.753 20 0 DFADRP OC[C@H]1CCC[N@@H+]1CCCC[NH2+][C@@H](c1ccccc1)C1CC1 ZINC000091336544 193043481 /nfs/dbraw/zinc/04/34/81/193043481.db2.gz NNPYUYOJYWUYGZ-MOPGFXCFSA-N 2 0 302.462 2.964 20 0 DFADRP CCOc1cncc(CN2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000621719277 399046105 /nfs/dbraw/zinc/04/61/05/399046105.db2.gz HPXVSYPPGBRDPP-APWZRJJASA-N 2 0 315.461 2.929 20 0 DFADRP CC(C)(CC[NH+]1CCCCCC1)NC(=O)NC1CCC([NH3+])CC1 ZINC000418380558 296091193 /nfs/dbraw/zinc/09/11/93/296091193.db2.gz FQTGYNIVIHOLBU-UHFFFAOYSA-N 2 0 324.513 2.600 20 0 DFADRP CCC[C@H]([NH2+]C(C)C)C(=O)N(CCC)CC[NH+]1CCCCC1 ZINC000359723979 283917130 /nfs/dbraw/zinc/91/71/30/283917130.db2.gz URRQQFLUHUCBDR-KRWDZBQOSA-N 2 0 311.514 2.878 20 0 DFADRP CC[NH+](CC)CCC[N@@H+]1CC[C@H](C(=O)OC)[C@H]2CCCC[C@@H]21 ZINC000595735069 399061777 /nfs/dbraw/zinc/06/17/77/399061777.db2.gz VKANTFAMCQMWEM-IKGGRYGDSA-N 2 0 310.482 2.772 20 0 DFADRP CC(=O)N1CC[C@@H]([NH2+]CCC[NH+]2CCCC2)c2ccccc21 ZINC000621749132 399064518 /nfs/dbraw/zinc/06/45/18/399064518.db2.gz SNNJPUVWLAYJQW-QGZVFWFLSA-N 2 0 301.434 2.560 20 0 DFADRP COC(=O)[C@@H]1C[C@@H](C)[N@@H+](CCCCn2ccnc2C)[C@@H](C)C1 ZINC000599697553 399069259 /nfs/dbraw/zinc/06/92/59/399069259.db2.gz RPYOSAJRPRBVNJ-MIFYACCESA-N 2 0 307.438 2.634 20 0 DFADRP CC(=O)N1CC[C@H]([NH2+]CC[C@@H]2CCC[N@@H+](C)C2)c2ccccc21 ZINC000621763134 399072136 /nfs/dbraw/zinc/07/21/36/399072136.db2.gz RCPBCIRROHTVKG-WMZOPIPTSA-N 2 0 315.461 2.806 20 0 DFADRP C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)c1ccc(C[NH+](C)C)cc1 ZINC000479471157 299378263 /nfs/dbraw/zinc/37/82/63/299378263.db2.gz CVMLMMXXGVWFBX-HNNXBMFYSA-N 2 0 317.477 2.551 20 0 DFADRP Clc1cc(Cl)cc(OCCN2C[C@H]3C[NH2+]C[C@H]3C2)c1 ZINC000479757166 299383699 /nfs/dbraw/zinc/38/36/99/299383699.db2.gz SJBJEXDEXKSFEB-PHIMTYICSA-N 2 0 301.217 2.523 20 0 DFADRP CC[C@H](C[NH+]1CCC(CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1)OC ZINC000419218959 296128553 /nfs/dbraw/zinc/12/85/53/296128553.db2.gz SIGDXRYYBBXIHQ-SOLBZPMBSA-N 2 0 312.498 2.623 20 0 DFADRP C[C@@H]([NH2+]C[C@H](C)C[NH+]1CCCC1)c1ccc([S@](C)=O)cc1 ZINC000165315137 296130879 /nfs/dbraw/zinc/13/08/79/296130879.db2.gz NQKGOMCZVJBRLD-PDSXEYIOSA-N 2 0 308.491 2.807 20 0 DFADRP CC[NH+](CC)[C@H](CNC(=O)CC[C@@H]1CC[NH2+]C1)c1ccccc1 ZINC000261713348 203100372 /nfs/dbraw/zinc/10/03/72/203100372.db2.gz LGSKEMJQGFQKIH-SJLPKXTDSA-N 2 0 317.477 2.575 20 0 DFADRP [NH3+][C@H](CC(=O)N1CCC([NH+]2CCCCC2)CC1)c1ccccc1 ZINC000261713396 203100647 /nfs/dbraw/zinc/10/06/47/203100647.db2.gz LIENFFURFPLFHP-GOSISDBHSA-N 2 0 315.461 2.553 20 0 DFADRP CC[N@@H+]1CCCC[C@@H]1C(=O)NCC1CC[NH+](CCC(C)C)CC1 ZINC000079995715 399105020 /nfs/dbraw/zinc/10/50/20/399105020.db2.gz BFFMINRUBILTFB-GOSISDBHSA-N 2 0 323.525 2.735 20 0 DFADRP C[C@H]1C[N@H+](CC2(C[NH+]3C[C@@H](C)[C@@H](C)[C@H]3C)COC2)[C@@H](C)[C@H]1C ZINC000419375249 296137474 /nfs/dbraw/zinc/13/74/74/296137474.db2.gz RGBJFOGAWHUZMQ-COYYTBTLSA-N 2 0 308.510 2.956 20 0 DFADRP CCC[C@@](C)([NH3+])C(=O)NCc1cccc(C[NH+](CC)CC)c1 ZINC000262125854 203205340 /nfs/dbraw/zinc/20/53/40/203205340.db2.gz LJYFUZFZOJYLLJ-GOSISDBHSA-N 2 0 305.466 2.662 20 0 DFADRP C[C@H](CSc1nnc(SC[C@@H](C)[NH+](C)C)s1)[NH+](C)C ZINC000060202133 399118565 /nfs/dbraw/zinc/11/85/65/399118565.db2.gz LRMVAUQUAOINLV-NXEZZACHSA-N 2 0 320.553 2.623 20 0 DFADRP Cc1cnc(CC[NH2+][C@@H]2CCN([C@@H](C)c3ccccc3)C2)nc1 ZINC000340108626 284152169 /nfs/dbraw/zinc/15/21/69/284152169.db2.gz JMUGXOAYLFOQFL-FUHWJXTLSA-N 2 0 310.445 2.753 20 0 DFADRP CCOC(=O)C1([C@@H](C)[NH2+]CC[C@@H]2CC=CCC2)CC[NH2+]CC1 ZINC000600711909 399120837 /nfs/dbraw/zinc/12/08/37/399120837.db2.gz UGGICEDEQAHJAO-HZPDHXFCSA-N 2 0 308.466 2.644 20 0 DFADRP Cc1ccc([C@@H]([NH3+])C(=O)NC2CC[NH+](C3CCCC3)CC2)cc1 ZINC000262674948 203377200 /nfs/dbraw/zinc/37/72/00/203377200.db2.gz TXPHNNJASWAVLS-GOSISDBHSA-N 2 0 315.461 2.518 20 0 DFADRP CC[NH+](CC)C[C@@H]1CCN(C(=O)[C@H](C)[C@H]([NH3+])c2ccccc2)C1 ZINC000262676472 203377768 /nfs/dbraw/zinc/37/77/68/203377768.db2.gz SGGNMIWEAQJSHN-RYRKJORJSA-N 2 0 317.477 2.513 20 0 DFADRP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)[C@H](C)[C@@H]([NH3+])c1ccccc1 ZINC000262681457 203379569 /nfs/dbraw/zinc/37/95/69/203379569.db2.gz XMZQTLRIQHYXSU-KBAYOESNSA-N 2 0 317.477 2.703 20 0 DFADRP CCc1ccc(C[NH+]2CCC(OCC[NH+]3CCCC3)CC2)o1 ZINC000093735033 193299034 /nfs/dbraw/zinc/29/90/34/193299034.db2.gz OPIWGWQZCHPQKT-UHFFFAOYSA-N 2 0 306.450 2.919 20 0 DFADRP CCOC(=O)CCCCC[N@@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000595900864 399128085 /nfs/dbraw/zinc/12/80/85/399128085.db2.gz ODJAEKJFKYHADX-KRWDZBQOSA-N 2 0 310.482 2.822 20 0 DFADRP CCC[C@@H](C(=O)Nc1cccc(OCCC[NH+](C)C)c1)[NH+](C)C ZINC000094130286 193346239 /nfs/dbraw/zinc/34/62/39/193346239.db2.gz LMJJMHMUPRUQRS-KRWDZBQOSA-N 2 0 321.465 2.686 20 0 DFADRP C[N@@H+]1CCCC[C@H]1CCC(=O)NCCC[NH2+]C1CCCCC1 ZINC000419888346 296150720 /nfs/dbraw/zinc/15/07/20/296150720.db2.gz FNUJVSLMGCTYMN-KRWDZBQOSA-N 2 0 309.498 2.680 20 0 DFADRP C[NH+](C)Cc1cccc(C(=O)NCCC[NH2+]C2CCCCC2)c1 ZINC000419907439 296151116 /nfs/dbraw/zinc/15/11/16/296151116.db2.gz FXZIIEIHPASWAP-UHFFFAOYSA-N 2 0 317.477 2.790 20 0 DFADRP CC(C)C[N@@H+]1CCC[C@@H](C[NH2+][C@H](Cn2cccn2)C(C)C)C1 ZINC000340523629 284187932 /nfs/dbraw/zinc/18/79/32/284187932.db2.gz GZPQPGFFXVLUCS-ZWKOTPCHSA-N 2 0 306.498 2.865 20 0 DFADRP COc1cc2c(cc1F)[nH+]ccc2N1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000420185248 296161129 /nfs/dbraw/zinc/16/11/29/296161129.db2.gz KPSQFNYUKNYXJN-NWDGAFQWSA-N 2 0 303.381 2.946 20 0 DFADRP CCOc1cc2[nH+]ccc(NC[C@@H]([NH3+])C3CC3)c2cc1OCC ZINC000420217547 296163212 /nfs/dbraw/zinc/16/32/12/296163212.db2.gz JOFGPIIIGGELIP-CQSZACIVSA-N 2 0 315.417 2.603 20 0 DFADRP CCOC(=O)c1cnc2ccccc2c1N1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000420233496 296164443 /nfs/dbraw/zinc/16/44/43/296164443.db2.gz MRJGKLPBMZMYBK-CHWSQXEVSA-N 2 0 313.401 2.585 20 0 DFADRP COc1cccc(C[C@H](C)[NH2+]C2CC(C)(C)[NH2+]C(C)(C)C2)n1 ZINC000341194245 284247480 /nfs/dbraw/zinc/24/74/80/284247480.db2.gz SBJUDQJYZJYJNL-ZDUSSCGKSA-N 2 0 305.466 2.920 20 0 DFADRP FC(F)(F)c1ccc2c(c1)[nH+]ccc2N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000420245560 296165389 /nfs/dbraw/zinc/16/53/89/296165389.db2.gz QTSWPTXFIYQEOL-PHIMTYICSA-N 2 0 307.319 2.909 20 0 DFADRP CCC[N@H+](CC)Cc1ccc(C(=O)NC[C@H]2CC[NH+](C)C2)cc1 ZINC000264687273 204078455 /nfs/dbraw/zinc/07/84/55/204078455.db2.gz QCZYSFCECIBVIT-QGZVFWFLSA-N 2 0 317.477 2.600 20 0 DFADRP COc1cc2c(cc1F)[nH+]ccc2N1CC[C@@H](C)C[C@H]1C[NH3+] ZINC000420260613 296166814 /nfs/dbraw/zinc/16/68/14/296166814.db2.gz NVAXQDMGKIAJHP-NEPJUHHUSA-N 2 0 303.381 2.946 20 0 DFADRP Cc1cc(N2C[C@H](C)[C@H]([NH3+])C2)c2cc(OC(F)F)ccc2[nH+]1 ZINC000420278059 296168465 /nfs/dbraw/zinc/16/84/65/296168465.db2.gz NSESHMDCVVZBGP-TVQRCGJNSA-N 2 0 307.344 2.928 20 0 DFADRP CC[NH2+]CC1CC[NH+]([C@H](C)C(=O)Nc2cc(C)cc(C)c2)CC1 ZINC000420283301 296169078 /nfs/dbraw/zinc/16/90/78/296169078.db2.gz BXEBRINEUZLEBA-MRXNPFEDSA-N 2 0 317.477 2.952 20 0 DFADRP CCC[N@H+](CC)Cc1ccc(C(=O)NCC[NH+](C)CC)cc1 ZINC000264869204 204224390 /nfs/dbraw/zinc/22/43/90/204224390.db2.gz GKGGZFOBNKDIGO-UHFFFAOYSA-N 2 0 305.466 2.600 20 0 DFADRP CCc1ccccc1NC(=O)[C@H](C)N1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000420291920 296170038 /nfs/dbraw/zinc/17/00/38/296170038.db2.gz ONJBSNYDLWFYBT-DZKIICNBSA-N 2 0 303.450 2.635 20 0 DFADRP CCN(CC)C(=O)C1([NH2+]CC[C@@H]2CCC[NH2+]C2)CCCCC1 ZINC000420293816 296170398 /nfs/dbraw/zinc/17/03/98/296170398.db2.gz AMBYVTVHALMIPX-INIZCTEOSA-N 2 0 309.498 2.537 20 0 DFADRP CCC[N@H+](CC[C@@H]1CC[NH2+]C1)[C@H](C)C(=O)Nc1ccccc1 ZINC000420293835 296170488 /nfs/dbraw/zinc/17/04/88/296170488.db2.gz ANYBLMDCZVIABX-CVEARBPZSA-N 2 0 303.450 2.725 20 0 DFADRP COc1ccccc1CC1CC[NH+](CC[C@@H]2CC[NH2+]C2)CC1 ZINC000420294116 296170554 /nfs/dbraw/zinc/17/05/54/296170554.db2.gz APEXSIRZVLQMLO-KRWDZBQOSA-N 2 0 302.462 2.949 20 0 DFADRP CC[N@H+](CC[C@H]1CCC[NH2+]C1)[C@@H](COC)Cc1ccccc1 ZINC000420295220 296170627 /nfs/dbraw/zinc/17/06/27/296170627.db2.gz BXVFPVRQOIKKHT-RTBURBONSA-N 2 0 304.478 2.956 20 0 DFADRP COc1ccc([C@@H](C[NH3+])C[N@@H+](C)C2CCC(OC)CC2)cc1 ZINC000420299508 296171206 /nfs/dbraw/zinc/17/12/06/296171206.db2.gz IWFFVOHPPVDCLX-HJOIGYKYSA-N 2 0 306.450 2.627 20 0 DFADRP C[C@@H]1C[N@H+](CC[C@@H]2CCC[NH2+]C2)C[C@H](c2ccc(F)cc2)O1 ZINC000420297182 296170860 /nfs/dbraw/zinc/17/08/60/296170860.db2.gz FRUPGCDTFINWRE-RVKKMQEKSA-N 2 0 306.425 2.977 20 0 DFADRP c1ccc2c(c1)C[NH+](CCN1CC[NH2+]CC1)Cc1ccccc1-2 ZINC000420296337 296171013 /nfs/dbraw/zinc/17/10/13/296171013.db2.gz DJCNBSQPGDLNCX-UHFFFAOYSA-N 2 0 307.441 2.574 20 0 DFADRP c1ccc(CC[N@@H+](CC[C@@H]2CCC[NH2+]C2)[C@H]2CCOC2)cc1 ZINC000420301524 296171728 /nfs/dbraw/zinc/17/17/28/296171728.db2.gz LKOFXAUGDUOWPH-OALUTQOASA-N 2 0 302.462 2.710 20 0 DFADRP CC(C)[N@H+](CC[C@@H]1CCC[NH2+]C1)CC(=O)Nc1ccc(F)cc1 ZINC000420299407 296171411 /nfs/dbraw/zinc/17/14/11/296171411.db2.gz GLIPKRLJMBAFQU-HNNXBMFYSA-N 2 0 321.440 2.864 20 0 DFADRP COc1ccc([C@@H](C[NH3+])C[N@H+](C)Cc2ccccc2OC)cc1 ZINC000420298340 296171430 /nfs/dbraw/zinc/17/14/30/296171430.db2.gz DZNLZPDLJSDUAI-KRWDZBQOSA-N 2 0 314.429 2.878 20 0 DFADRP c1cc2c(c([C@H]3CCC[N@H+]3CC[C@H]3CCC[NH2+]C3)c1)OCCO2 ZINC000420298210 296171442 /nfs/dbraw/zinc/17/14/42/296171442.db2.gz HAWZTTPVYWVLMS-NVXWUHKLSA-N 2 0 316.445 2.984 20 0 DFADRP c1cc([C@H]2CCC[N@H+]2CC[C@@H]2CCC[NH2+]C2)cc2c1OCO2 ZINC000420304867 296172080 /nfs/dbraw/zinc/17/20/80/296172080.db2.gz OUNVOGUGWVDGCM-GOEBONIOSA-N 2 0 302.418 2.942 20 0 DFADRP Cc1[nH]c2ccccc2c1C(=O)C[N@@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000420310070 296172891 /nfs/dbraw/zinc/17/28/91/296172891.db2.gz PKDFWMLLESAQRS-UHFFFAOYSA-N 2 0 311.429 2.735 20 0 DFADRP COc1ccc([C@@H]2CCC[N@@H+]2CC[C@H]2CC[NH2+]C2)cc1OC ZINC000420303442 296172314 /nfs/dbraw/zinc/17/23/14/296172314.db2.gz KIFOPNQBYTTWIY-ZBFHGGJFSA-N 2 0 304.434 2.840 20 0 DFADRP COc1ccc(C(=O)C2CC[NH+](CC[C@@H]3CC[NH2+]C3)CC2)cc1 ZINC000420304200 296172337 /nfs/dbraw/zinc/17/23/37/296172337.db2.gz LFKGOYHVUZBROF-HNNXBMFYSA-N 2 0 316.445 2.590 20 0 DFADRP CC[NH+](CC)CCCN(Cc1ccccn1)[C@H]1CCC[NH2+]CC1 ZINC000420305951 296172628 /nfs/dbraw/zinc/17/26/28/296172628.db2.gz HBOOEWZDELDALQ-IBGZPJMESA-N 2 0 318.509 2.758 20 0 DFADRP CC[C@H](C)[C@@H]1CCCC[N@@H+]1C[C@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC000420310978 296173386 /nfs/dbraw/zinc/17/33/86/296173386.db2.gz VPOOUZVJCGJLSG-WNHJNPCNSA-N 2 0 304.478 2.818 20 0 DFADRP COc1ccc([C@H](C[NH3+])C[NH+]2CCC(OCC(C)C)CC2)cc1 ZINC000420315277 296173656 /nfs/dbraw/zinc/17/36/56/296173656.db2.gz LLPQDRCWBJMLTQ-QGZVFWFLSA-N 2 0 320.477 2.875 20 0 DFADRP C[C@@H]1C[C@H]([N@H+](C)CC[C@@H]2CC[NH2+]C2)CCN1Cc1ccccc1 ZINC000420318857 296174344 /nfs/dbraw/zinc/17/43/44/296174344.db2.gz ORXXQSHYOMNUPG-WSTZPKSXSA-N 2 0 315.505 2.971 20 0 DFADRP COC(=O)c1cc(C[NH+]2CCC([C@@H]3CC[NH2+]C3)CC2)c(C)s1 ZINC000420316297 296174046 /nfs/dbraw/zinc/17/40/46/296174046.db2.gz NEZHLBPHNRUUGI-CQSZACIVSA-N 2 0 322.474 2.665 20 0 DFADRP CCc1ccc([C@H]2C[NH2+]CCN2CC[C@H]2CCC[NH2+]C2)cc1 ZINC000420319698 296174280 /nfs/dbraw/zinc/17/42/80/296174280.db2.gz RYIBVRATRKVTNG-IEBWSBKVSA-N 2 0 301.478 2.585 20 0 DFADRP CC[C@H]([NH2+]CCCN1CCN(c2cc[nH+]cc2)CC1)C(C)C ZINC000341906928 284287640 /nfs/dbraw/zinc/28/76/40/284287640.db2.gz YOLYSGYQVQUKJK-SFHVURJKSA-N 2 0 304.482 2.618 20 0 DFADRP COC(=O)c1cc2cc(C[N@@H+]3CCCC[C@@H]3CC[NH3+])ccc2o1 ZINC000420321012 296174994 /nfs/dbraw/zinc/17/49/94/296174994.db2.gz VAYUVDMSRIFJBP-OAHLLOKOSA-N 2 0 316.401 2.923 20 0 DFADRP C[C@H](c1ccc(F)cc1F)N1CC[NH+](CC[C@H]2CC[NH2+]C2)CC1 ZINC000420324888 296175251 /nfs/dbraw/zinc/17/52/51/296175251.db2.gz VPNSRQOVRUIKML-HUUCEWRRSA-N 2 0 323.431 2.643 20 0 DFADRP C[C@H](c1ccc(F)cc1F)N1CC[NH+](CC[C@@H]2CC[NH2+]C2)CC1 ZINC000420324886 296175283 /nfs/dbraw/zinc/17/52/83/296175283.db2.gz VPNSRQOVRUIKML-CABCVRRESA-N 2 0 323.431 2.643 20 0 DFADRP O=C(CC[NH+]1CCC([C@H]2CCC[NH2+]2)CC1)NCC1CCCCC1 ZINC000420331436 296176379 /nfs/dbraw/zinc/17/63/79/296176379.db2.gz DYKZBYQTQRAMPX-GOSISDBHSA-N 2 0 321.509 2.537 20 0 DFADRP Cn1c2ccccc2nc1CC[NH+]1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000420331631 296176405 /nfs/dbraw/zinc/17/64/05/296176405.db2.gz FKQHTJQBMZZXCU-INIZCTEOSA-N 2 0 312.461 2.580 20 0 DFADRP [NH3+][C@@H]1CCO[C@H]1C1CC[NH+]([C@H]2CCc3ccc(F)cc32)CC1 ZINC000420326898 296175694 /nfs/dbraw/zinc/17/56/94/296175694.db2.gz FJEOLGVEDRZQSF-SQNIBIBYSA-N 2 0 304.409 2.641 20 0 DFADRP Cc1ccccc1[C@@H](C)[N@H+](C)C[C@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC000420325865 296175741 /nfs/dbraw/zinc/17/57/41/296175741.db2.gz WWTAPBUONHZRDC-UXPWSPDFSA-N 2 0 312.457 2.919 20 0 DFADRP C[C@@H](C(=O)NCC1CCCCC1)[NH+]1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000420337265 296177044 /nfs/dbraw/zinc/17/70/44/296177044.db2.gz JUNKRHHGGMNOBB-YJBOKZPZSA-N 2 0 321.509 2.535 20 0 DFADRP [NH3+][C@@H]1CCO[C@H]1C1CC[NH+]([C@H]2CCCc3ccccc32)CC1 ZINC000420337525 296177058 /nfs/dbraw/zinc/17/70/58/296177058.db2.gz QZAZGHZMCRZPRU-QYZOEREBSA-N 2 0 300.446 2.892 20 0 DFADRP C[C@H]1CCCC[N@@H+]1CCCCNC(=O)[C@@](C)([NH3+])c1ccccc1 ZINC000278238320 214041099 /nfs/dbraw/zinc/04/10/99/214041099.db2.gz LDESJLLAIWPVDI-LPHOPBHVSA-N 2 0 317.477 2.631 20 0 DFADRP COc1ccc(OCCC[N@@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)cc1 ZINC000420344982 296178178 /nfs/dbraw/zinc/17/81/78/296178178.db2.gz VJRVAFLILJDPFA-SJORKVTESA-N 2 0 318.461 2.786 20 0 DFADRP CN(C)[C@@H](C[NH2+]C1CCN(c2cc[nH+]cc2)CC1)c1ccccc1 ZINC000297605075 227358039 /nfs/dbraw/zinc/35/80/39/227358039.db2.gz KFMAEEAAXPUERT-FQEVSTJZSA-N 2 0 324.472 2.943 20 0 DFADRP COC(=O)[C@H](C)C[N@H+](CC[C@@H]1CCC[NH2+]C1)Cc1ccccc1 ZINC000420367887 296181071 /nfs/dbraw/zinc/18/10/71/296181071.db2.gz WKGGAYZYCGCXFA-SJORKVTESA-N 2 0 318.461 2.687 20 0 DFADRP CCc1cccc(C[NH+]2CCC([C@@H]3OCCC[C@@H]3[NH3+])CC2)c1 ZINC000420374634 296182228 /nfs/dbraw/zinc/18/22/28/296182228.db2.gz HQKQIPCPGTZUCT-OALUTQOASA-N 2 0 302.462 2.967 20 0 DFADRP COc1cccc([C@H](C)[NH+]2CCC([C@@H]3OCCC[C@H]3[NH3+])CC2)c1 ZINC000420374996 296182362 /nfs/dbraw/zinc/18/23/62/296182362.db2.gz IFMCCRJPGYYYFE-KYNGSXCRSA-N 2 0 318.461 2.975 20 0 DFADRP c1nc([C@H]2CCC[N@@H+](CCC3CC[NH2+]CC3)C2)n2c1CCCC2 ZINC000420374988 296182388 /nfs/dbraw/zinc/18/23/88/296182388.db2.gz OMKVQSPJJKVKAM-KRWDZBQOSA-N 2 0 316.493 2.789 20 0 DFADRP COC(=O)[C@H](C)[C@@H]([NH2+]CC[C@H]1CCC[NH2+]C1)c1ccccc1 ZINC000420373184 296182399 /nfs/dbraw/zinc/18/23/99/296182399.db2.gz MEFJGYVQBSMOMV-BFYDXBDKSA-N 2 0 304.434 2.516 20 0 DFADRP [NH3+][C@H]1CCCO[C@@H]1C1CC[NH+](CCCCC(F)(F)F)CC1 ZINC000420379268 296183231 /nfs/dbraw/zinc/18/32/31/296183231.db2.gz MZBKZQKVSZIRGW-UONOGXRCSA-N 2 0 308.388 2.937 20 0 DFADRP CCc1nc2ccccc2n1C1CC[NH+](CCC[NH2+]C)CC1 ZINC000420376762 296182892 /nfs/dbraw/zinc/18/28/92/296182892.db2.gz RGOWKIZZXYFUKC-UHFFFAOYSA-N 2 0 300.450 2.845 20 0 DFADRP [NH3+][C@@H]1CCCO[C@@H]1C1CC[NH+](CCCOc2ccccc2)CC1 ZINC000420381390 296183581 /nfs/dbraw/zinc/18/35/81/296183581.db2.gz OXSIPXXRZAVMQS-RTBURBONSA-N 2 0 318.461 2.674 20 0 DFADRP C[C@H]([NH2+]CCCN1CCC[N@H+](C)CC1)[C@@H]1C[C@H]1c1ccccc1 ZINC000282681547 217171768 /nfs/dbraw/zinc/17/17/68/217171768.db2.gz AAKOTQJMVYSWCL-IHPCNDPISA-N 2 0 315.505 2.796 20 0 DFADRP [NH3+]C1(C[NH2+]CCCOc2cccc(C(F)(F)F)c2)CCC1 ZINC000342090817 284324626 /nfs/dbraw/zinc/32/46/26/284324626.db2.gz BZFJBHXEGSHQON-UHFFFAOYSA-N 2 0 302.340 2.945 20 0 DFADRP C[C@@H](c1ccc(Cl)cc1)[N@@H+]1CCC[C@H](n2cc(C[NH3+])nn2)C1 ZINC000420388642 296185011 /nfs/dbraw/zinc/18/50/11/296185011.db2.gz XEVLPSPLCLUOKA-LRDDRELGSA-N 2 0 319.840 2.788 20 0 DFADRP CN1CC[C@H]([NH2+]CC[C@@H]2CCC[NH2+]C2)[C@@H]1c1ccc(F)c(F)c1 ZINC000420397359 296185823 /nfs/dbraw/zinc/18/58/23/296185823.db2.gz FZMLPNREHDWTON-KKXDTOCCSA-N 2 0 323.431 2.689 20 0 DFADRP c1ccc(OCCOCC[N@@H+]2CCCC[C@H]2[C@@H]2CC[NH2+]C2)cc1 ZINC000420401705 296186436 /nfs/dbraw/zinc/18/64/36/296186436.db2.gz PRNVKJINXSQVRW-MJGOQNOKSA-N 2 0 318.461 2.546 20 0 DFADRP COc1cccc(OCC[N@@H+]2CCCC[C@H]2[C@H]2CC[NH2+]C2)c1 ZINC000420406897 296187227 /nfs/dbraw/zinc/18/72/27/296187227.db2.gz UTGDCPTVXAUJIP-YJBOKZPZSA-N 2 0 304.434 2.538 20 0 DFADRP Cc1cc(C)n(-c2ccc(C[N@H+]3CC[C@H](C)[C@@H](C[NH3+])C3)cc2)n1 ZINC000420417297 296188005 /nfs/dbraw/zinc/18/80/05/296188005.db2.gz WHZCLHABHWWSJO-KSSFIOAISA-N 2 0 312.461 2.906 20 0 DFADRP COC(=O)c1cc2cc(C[N@@H+]3CC[C@H](C)[C@@H](C[NH3+])C3)ccc2o1 ZINC000420422754 296188237 /nfs/dbraw/zinc/18/82/37/296188237.db2.gz ZNMVRQCPMJDQPX-WFASDCNBSA-N 2 0 316.401 2.636 20 0 DFADRP CCN1CC[C@H]([NH2+]CCC[NH2+]C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000420422374 296188309 /nfs/dbraw/zinc/18/83/09/296188309.db2.gz ZICJLYORLSTMMB-JKSUJKDBSA-N 2 0 313.848 2.814 20 0 DFADRP O[C@H]1CC[N@H+](Cc2ccccc2C[NH2+][C@@H]2CCC23CCC3)C1 ZINC000282763395 217233835 /nfs/dbraw/zinc/23/38/35/217233835.db2.gz OKCPPZHNPGGQHX-ZWKOTPCHSA-N 2 0 300.446 2.676 20 0 DFADRP C[C@H]([NH2+]C(C)(C)CNC(=O)[C@H]1CCCC[N@@H+]1C)c1ccccc1 ZINC000600996963 399198793 /nfs/dbraw/zinc/19/87/93/399198793.db2.gz OKDSUEBXAPCFOQ-DOTOQJQBSA-N 2 0 317.477 2.716 20 0 DFADRP CC[C@@H]1C[N@H+](C)CCCN1C(=O)c1ccc(C[NH+](CC)CC)o1 ZINC000614336612 399211640 /nfs/dbraw/zinc/21/16/40/399211640.db2.gz ZQHZCRDEMGWPCF-OAHLLOKOSA-N 2 0 321.465 2.678 20 0 DFADRP C[N@@H+]1CCCC[C@@H]1CCC(=O)N[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC000622172511 399213899 /nfs/dbraw/zinc/21/38/99/399213899.db2.gz NRJKVPBFQALRNM-IAGOWNOFSA-N 2 0 321.509 2.774 20 0 DFADRP C[NH+](C)C(C)(C)CNC(=O)c1ccc(Nc2cc[nH+]cc2)cc1 ZINC000081230006 399216266 /nfs/dbraw/zinc/21/62/66/399216266.db2.gz JHOXDBBSAXXMDE-UHFFFAOYSA-N 2 0 312.417 2.895 20 0 DFADRP C[NH+]1CCC(CNC(=O)c2ccc(Nc3cc[nH+]cc3)cc2)CC1 ZINC000081315374 399225296 /nfs/dbraw/zinc/22/52/96/399225296.db2.gz NMCSTBOPMXSRLP-UHFFFAOYSA-N 2 0 324.428 2.897 20 0 DFADRP CC[C@H]1CO[C@H](C)C[N@@H+]1Cc1cccc(CN2CCOCC2)c1 ZINC000420909463 296210945 /nfs/dbraw/zinc/21/09/45/296210945.db2.gz YQKJEWOVLCTTLX-APWZRJJASA-N 2 0 318.461 2.518 20 0 DFADRP C[C@H]([NH2+]Cc1ccc(OCC[NH+]2CCCC2)cc1)[C@H]1CCOC1 ZINC000608061914 399229663 /nfs/dbraw/zinc/22/96/63/399229663.db2.gz IPOBYOTVJVBDTP-WMZOPIPTSA-N 2 0 318.461 2.676 20 0 DFADRP C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1[NH2+]C[C@H]1C[C@@H](O)C1 ZINC000420921724 296212810 /nfs/dbraw/zinc/21/28/10/296212810.db2.gz MHVUGBIVKKSJOZ-UOVPBQLFSA-N 2 0 302.462 2.504 20 0 DFADRP C[C@H]([NH2+]Cc1ccc(C(=O)NCC[NH+](C)C)cc1)[C@H]1CC1(C)C ZINC000487309648 299457517 /nfs/dbraw/zinc/45/75/17/299457517.db2.gz LEQCDIDLTBMSPM-WMLDXEAASA-N 2 0 317.477 2.502 20 0 DFADRP C[C@@H]1C[C@H](NC2CC[NH+](C)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000267545900 206137162 /nfs/dbraw/zinc/13/71/62/206137162.db2.gz BLCKTJUHIJCRCQ-VQIMIIECSA-N 2 0 301.478 2.723 20 0 DFADRP CC[C@@H]1C[N@H+](Cc2cccc(CN3CCOCC3)c2)CCCO1 ZINC000420966727 296218809 /nfs/dbraw/zinc/21/88/09/296218809.db2.gz RKEFKCZYJLIIDZ-LJQANCHMSA-N 2 0 318.461 2.520 20 0 DFADRP O[C@]1(Cc2ccc(F)cc2)CC[N@H+](CCC[NH+]2CCCCC2)C1 ZINC000421026272 296228001 /nfs/dbraw/zinc/22/80/01/296228001.db2.gz UCQVYCULIXACFB-IBGZPJMESA-N 2 0 320.452 2.681 20 0 DFADRP C[N@H+](CCC1OCCCO1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000267920877 206339832 /nfs/dbraw/zinc/33/98/32/206339832.db2.gz IYOJCNMATAQNND-SFHVURJKSA-N 2 0 318.461 2.593 20 0 DFADRP C[C@@H](C[NH2+]Cc1cccc(C2CC2)c1)CN1CC[NH+](C)CC1 ZINC000421326356 296244875 /nfs/dbraw/zinc/24/48/75/296244875.db2.gz NRXCWSMPBRMREQ-INIZCTEOSA-N 2 0 301.478 2.537 20 0 DFADRP C[C@H](C[NH+]1CCC(C)CC1)NC(=O)c1ccc(C[NH+](C)C)cc1 ZINC000618989179 399272987 /nfs/dbraw/zinc/27/29/87/399272987.db2.gz KLZZKWGEJDZNKN-MRXNPFEDSA-N 2 0 317.477 2.598 20 0 DFADRP CC(C)[C@@H](C[NH2+]Cc1ccc(Cl)cc1)N1CC[NH+](C)CC1 ZINC000040435529 183067102 /nfs/dbraw/zinc/06/71/02/183067102.db2.gz IABCXAUGWVLEFI-QGZVFWFLSA-N 2 0 309.885 2.702 20 0 DFADRP CC(C)c1ncc(C[NH2+]CC2(O)CC[NH+](C(C)C)CC2)s1 ZINC000344626824 284659210 /nfs/dbraw/zinc/65/92/10/284659210.db2.gz DCWRULQLZYFJAF-UHFFFAOYSA-N 2 0 311.495 2.591 20 0 DFADRP Cc1nc2ccc(C[NH2+]CCCN(C)CC[NH+](C)C)cc2s1 ZINC000623087846 399324687 /nfs/dbraw/zinc/32/46/87/399324687.db2.gz LECSTRZGULTPGD-UHFFFAOYSA-N 2 0 320.506 2.578 20 0 DFADRP Cc1ccc([C@@H]2CCC[C@@H]2[NH2+]CC2(O)CC[NH+](C)CC2)cc1 ZINC000344749450 284680165 /nfs/dbraw/zinc/68/01/65/284680165.db2.gz NYEIFZUSBBXRNM-ROUUACIJSA-N 2 0 302.462 2.677 20 0 DFADRP COC1([C@H](C)[NH2+]C2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)CCCCC1 ZINC000421843063 296277292 /nfs/dbraw/zinc/27/72/92/296277292.db2.gz MDXCUVASGRPVFJ-JQHSSLGASA-N 2 0 324.509 2.692 20 0 DFADRP COC1([C@H](C)[NH2+]C2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)CCCC1 ZINC000421841412 296277307 /nfs/dbraw/zinc/27/73/07/296277307.db2.gz IRBPWHYCIYQJMJ-SZMVWBNQSA-N 2 0 324.509 2.692 20 0 DFADRP Cn1cccc1C[NH2+]Cc1ccc(OC2CC[NH+](C)CC2)cc1 ZINC000284184955 217920254 /nfs/dbraw/zinc/92/02/54/217920254.db2.gz XWUBWKKJSXMOJX-UHFFFAOYSA-N 2 0 313.445 2.788 20 0 DFADRP C[C@@H]1CCC[C@H](NC(=O)C[NH+]2CCC(CC[NH+](C)C)CC2)[C@H]1C ZINC000615464266 399340875 /nfs/dbraw/zinc/34/08/75/399340875.db2.gz UXEQAVHGJHDMIN-RYRKJORJSA-N 2 0 323.525 2.591 20 0 DFADRP CO[C@@H](C)[C@H](C)[NH2+]Cc1ccc(OC2CC[NH+](C)CC2)cc1 ZINC000284510685 218059198 /nfs/dbraw/zinc/05/91/98/218059198.db2.gz YJFOWWAUCDFKOH-GJZGRUSLSA-N 2 0 306.450 2.673 20 0 DFADRP Cc1cc(C[NH2+][C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)n(C)n1 ZINC000284569676 218081519 /nfs/dbraw/zinc/08/15/19/218081519.db2.gz YRTNKTMABOFIFL-YSIASYRMSA-N 2 0 324.472 2.729 20 0 DFADRP COc1cccc([C@H](CN[C@@H]2CC[N@H+](C)C(C)(C)C2)[NH+](C)C)c1 ZINC000623335878 399364841 /nfs/dbraw/zinc/36/48/41/399364841.db2.gz JUWMJCOSLPKFGR-AEFFLSMTSA-N 2 0 319.493 2.760 20 0 DFADRP CC[C@@H](C(=O)NC[C@H](c1ccc(C)cc1)[NH+](C)C)[NH+](CC)CC ZINC000345815554 284760427 /nfs/dbraw/zinc/76/04/27/284760427.db2.gz WHBALRDGNKQADL-ZWKOTPCHSA-N 2 0 319.493 2.834 20 0 DFADRP CC[N@@H+]1CC[C@H](C[NH2+]Cc2ccc(OC)c(OC3CC3)c2)C1 ZINC000623361745 399372744 /nfs/dbraw/zinc/37/27/44/399372744.db2.gz NIDUTTGOFYXXGZ-OAHLLOKOSA-N 2 0 304.434 2.668 20 0 DFADRP C[NH+](C)[C@H](CN[C@H]1CC[N@H+](C)C(C)(C)C1)c1ccc(F)cc1 ZINC000623363185 399372835 /nfs/dbraw/zinc/37/28/35/399372835.db2.gz FBEAKYVIFVHKHT-DLBZAZTESA-N 2 0 307.457 2.891 20 0 DFADRP COc1ccc(OC)c(CC[NH2+][C@H]2CC[N@H+](C)C(C)(C)C2)c1 ZINC000623379566 399376328 /nfs/dbraw/zinc/37/63/28/399376328.db2.gz YGPALQSYVQBJFK-HNNXBMFYSA-N 2 0 306.450 2.709 20 0 DFADRP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)Cc2ccccc2Cl)CC1 ZINC000106126867 194187907 /nfs/dbraw/zinc/18/79/07/194187907.db2.gz NMXSUTWUQSGDJP-CQSZACIVSA-N 2 0 310.869 2.865 20 0 DFADRP COc1cccc(N2CC[C@H]([NH2+][C@@H]3CC[N@H+](C)C(C)(C)C3)C2)c1 ZINC000623399223 399380399 /nfs/dbraw/zinc/38/03/99/399380399.db2.gz BRGNQXDYPKMQLG-CVEARBPZSA-N 2 0 317.477 2.736 20 0 DFADRP COc1cccc(O[C@H](C)C[NH2+][C@H]2CC[N@H+](C)C(C)(C)C2)c1 ZINC000623432145 399388320 /nfs/dbraw/zinc/38/83/20/399388320.db2.gz GIRLRNJVUNTHNT-CABCVRRESA-N 2 0 306.450 2.925 20 0 DFADRP CCO[C@@H](CC[NH+](C)C)C[NH2+]Cc1ccc(Cl)c(OC)c1 ZINC000623442947 399390933 /nfs/dbraw/zinc/39/09/33/399390933.db2.gz IAPKBYQCKANPFH-AWEZNQCLSA-N 2 0 314.857 2.795 20 0 DFADRP COc1ccccc1N1CC[C@@H]([NH2+][C@H]2CC[N@H+](C)C(C)(C)C2)C1 ZINC000623445404 399391852 /nfs/dbraw/zinc/39/18/52/399391852.db2.gz PPXYHXINLSPIIZ-JKSUJKDBSA-N 2 0 317.477 2.736 20 0 DFADRP COc1ccccc1N1CC[C@H]([NH2+][C@H]2CC[N@H+](C)C(C)(C)C2)C1 ZINC000623445402 399392076 /nfs/dbraw/zinc/39/20/76/399392076.db2.gz PPXYHXINLSPIIZ-HOTGVXAUSA-N 2 0 317.477 2.736 20 0 DFADRP [NH3+]C1CCC([NH2+]Cc2cc(Br)ccc2F)CC1 ZINC000051693511 183834262 /nfs/dbraw/zinc/83/42/62/183834262.db2.gz YTWDIQNWIIVFAK-UHFFFAOYSA-N 2 0 301.203 2.948 20 0 DFADRP C[C@@H](CN[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C)[NH+](C)C1CC1 ZINC000268835008 207001124 /nfs/dbraw/zinc/00/11/24/207001124.db2.gz AWJVHINBUGDYNN-UWVAXJGDSA-N 2 0 315.505 2.969 20 0 DFADRP C[C@@H]1C[C@H](C)[N@H+](CCCc2ccc3c(c2)CCO3)C[C@@H]1C[NH3+] ZINC000422560992 296312600 /nfs/dbraw/zinc/31/26/00/296312600.db2.gz IIFVOGOPFNIHRP-VKJFTORMSA-N 2 0 302.462 2.859 20 0 DFADRP C[C@@H]([NH3+])C1CC[NH+](Cc2cc(Cl)c3c(c2)OCCO3)CC1 ZINC000110648610 194345797 /nfs/dbraw/zinc/34/57/97/194345797.db2.gz OGJPYCSKIBSKQO-LLVKDONJSA-N 2 0 310.825 2.670 20 0 DFADRP CC[N@H+](Cc1ccc(C(=O)NC[C@@H]2CC[NH+](C)C2)cc1)C(C)C ZINC000110652350 194346793 /nfs/dbraw/zinc/34/67/93/194346793.db2.gz QUFCFWWRQMFTKG-KRWDZBQOSA-N 2 0 317.477 2.598 20 0 DFADRP C[C@@H]([NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1)c1ccc(-n2ccnn2)cc1 ZINC000623473712 399397295 /nfs/dbraw/zinc/39/72/95/399397295.db2.gz FJKFAHBYOYKFNY-GDBMZVCRSA-N 2 0 313.449 2.791 20 0 DFADRP COc1ccc(C[NH+]2CCC([C@@H](C)[NH3+])CC2)c(Cl)c1OC ZINC000110830968 194361687 /nfs/dbraw/zinc/36/16/87/194361687.db2.gz WGQIWZLJCSHBIT-LLVKDONJSA-N 2 0 312.841 2.916 20 0 DFADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1N[C@H]1CC[NH+](C)C(C)(C)C1 ZINC000623493626 399401152 /nfs/dbraw/zinc/40/11/52/399401152.db2.gz LWLRJFCVDHNIGW-NEWSRXKRSA-N 2 0 315.505 2.969 20 0 DFADRP CC[C@@H](CCO)C[NH2+][C@H](C)c1cccc(OCC[NH+](C)C)c1 ZINC000268898150 207066497 /nfs/dbraw/zinc/06/64/97/207066497.db2.gz BBYQWMDZCYEUFM-CVEARBPZSA-N 2 0 308.466 2.686 20 0 DFADRP C[C@@H]1C[C@H](C)[N@H+](CCC(=O)Nc2ccc(Cl)cc2)C[C@@H]1C[NH3+] ZINC000422625044 296316461 /nfs/dbraw/zinc/31/64/61/296316461.db2.gz AKGJGJGMTNNTLF-RDBSUJKOSA-N 2 0 323.868 2.974 20 0 DFADRP OC[C@@H]1CCC[N@@H+]1CCCC[NH2+][C@H]1CCCc2ccccc21 ZINC000268904042 207072349 /nfs/dbraw/zinc/07/23/49/207072349.db2.gz LPLVAARMRVVVSL-HKUYNNGSSA-N 2 0 302.462 2.891 20 0 DFADRP CC(C)[C@@H](C(=O)Nc1cccc(OCCC[NH+](C)C)c1)[NH+](C)C ZINC000111107867 194390973 /nfs/dbraw/zinc/39/09/73/194390973.db2.gz NDRCHFMZJSEGHO-KRWDZBQOSA-N 2 0 321.465 2.542 20 0 DFADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@@H](O)C(C)(C)C ZINC000268917590 207084677 /nfs/dbraw/zinc/08/46/77/207084677.db2.gz VHKFVJGMIJHKNT-KBAYOESNSA-N 2 0 304.478 2.894 20 0 DFADRP CN(C)c1c(C[NH2+]CC2CC[NH+](C3CC3)CC2)ccc(F)c1F ZINC000623509324 399404942 /nfs/dbraw/zinc/40/49/42/399404942.db2.gz ZEZODIOVTLZLCM-UHFFFAOYSA-N 2 0 323.431 2.995 20 0 DFADRP CC(C)n1ncc2c1C[C@@H]([NH2+][C@H]1CC[N@H+](C)C(C)(C)C1)CC2 ZINC000623505799 399404300 /nfs/dbraw/zinc/40/43/00/399404300.db2.gz QOOCDIUFIBMSCC-HOTGVXAUSA-N 2 0 304.482 2.784 20 0 DFADRP [NH3+][C@H]1CCCCC[C@H]1[NH2+]Cc1ccc(CN2CCCC2=O)cc1 ZINC000422708394 296319524 /nfs/dbraw/zinc/31/95/24/296319524.db2.gz BYGHLSFKSXDERP-ZWKOTPCHSA-N 2 0 315.461 2.559 20 0 DFADRP CCCC[N@H+](C)CCN[C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422709631 296319646 /nfs/dbraw/zinc/31/96/46/296319646.db2.gz KXPJNCXIZFLZNL-MJGOQNOKSA-N 2 0 317.477 2.564 20 0 DFADRP C[N@@H+]1CC[C@H]([NH2+][C@H]2CC[C@@H](C(=O)N3CCCCC3)C2)CC1(C)C ZINC000623513068 399405677 /nfs/dbraw/zinc/40/56/77/399405677.db2.gz HGFDBXNTQRNUOZ-IKGGRYGDSA-N 2 0 321.509 2.630 20 0 DFADRP C[C@H](CCCC[NH3+])[NH2+]CC(C)(C)N1CCc2ccccc2C1 ZINC000422707356 296319409 /nfs/dbraw/zinc/31/94/09/296319409.db2.gz WJMBSPWZJGPQPF-MRXNPFEDSA-N 2 0 303.494 2.930 20 0 DFADRP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+]Cc1ccc(CN2CCCC2=O)cc1 ZINC000422708391 296319483 /nfs/dbraw/zinc/31/94/83/296319483.db2.gz BYGHLSFKSXDERP-MSOLQXFVSA-N 2 0 315.461 2.559 20 0 DFADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]C[C@@H](C)N1CCc2ccccc21 ZINC000422710229 296319875 /nfs/dbraw/zinc/31/98/75/296319875.db2.gz FJLXTPPUFHWKJJ-HUUCEWRRSA-N 2 0 324.472 2.951 20 0 DFADRP C[C@@H](NCc1ccc(OCCC[NH+](C)C)cc1)[C@@H]1CCCC[NH2+]1 ZINC000422710533 296319924 /nfs/dbraw/zinc/31/99/24/296319924.db2.gz GAJNMVHSFXCNHZ-APWZRJJASA-N 2 0 319.493 2.637 20 0 DFADRP CC(C)(C[NH2+][C@@H]1CCC[C@@H]1C[NH3+])N1CCc2ccccc2C1 ZINC000422709963 296319954 /nfs/dbraw/zinc/31/99/54/296319954.db2.gz ZZWWFQKFKNOPRR-SJLPKXTDSA-N 2 0 301.478 2.540 20 0 DFADRP CCC(CC)C(=O)N1CCC([NH2+][C@@H]2CCCC[C@@H]2C[NH3+])CC1 ZINC000422712119 296320013 /nfs/dbraw/zinc/32/00/13/296320013.db2.gz GKJQXBDLMCXRJC-NVXWUHKLSA-N 2 0 309.498 2.521 20 0 DFADRP Cc1cc(C[NH2+][C@@H]2CCc3nc[nH]c3C2)ncc1Br ZINC000623528021 399408769 /nfs/dbraw/zinc/40/87/69/399408769.db2.gz UQVOXROJBMMLBB-SNVBAGLBSA-N 2 0 321.222 2.523 20 0 DFADRP COc1ccc(C[NH2+][C@H]2CCc3nc[nH]c3C2)cc1OC1CC1 ZINC000623527844 399408917 /nfs/dbraw/zinc/40/89/17/399408917.db2.gz KBBJLRLLFNHEHJ-ZDUSSCGKSA-N 2 0 313.401 2.607 20 0 DFADRP C[C@@H](CCCC[NH3+])[NH2+]CC1(N2CCSCC2)CCCCC1 ZINC000422716125 296320646 /nfs/dbraw/zinc/32/06/46/296320646.db2.gz UBKWLYGQTMRUJT-INIZCTEOSA-N 2 0 313.555 2.845 20 0 DFADRP C[N@@H+]1CC[C@H]([NH2+][C@H]2CCO[C@H](c3cccnc3)C2)CC1(C)C ZINC000623540393 399411681 /nfs/dbraw/zinc/41/16/81/399411681.db2.gz XREMSELVWJTDFR-ULQDDVLXSA-N 2 0 303.450 2.764 20 0 DFADRP CC[NH+](CC)C[C@H](C)N[C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422720739 296321276 /nfs/dbraw/zinc/32/12/76/296321276.db2.gz SZTQGYUOOIRPRX-IEZWGBDMSA-N 2 0 317.477 2.562 20 0 DFADRP CCOc1c(Cl)cc(C[NH2+][C@@H](C)[C@@H]2CC[NH2+]C2)cc1OC ZINC000422721241 296321481 /nfs/dbraw/zinc/32/14/81/296321481.db2.gz NUEKLOWLORIWRZ-WCQYABFASA-N 2 0 312.841 2.835 20 0 DFADRP COc1ccc(C[NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)cc1OC1CC1 ZINC000623561015 399416226 /nfs/dbraw/zinc/41/62/26/399416226.db2.gz ZGYWVMKWRPRZIT-GASCZTMLSA-N 2 0 304.434 2.666 20 0 DFADRP C[C@@H]([NH2+]Cc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1)[C@@H]1C[C@H]1C1CC1 ZINC000623563631 399417154 /nfs/dbraw/zinc/41/71/54/399417154.db2.gz FFKFCFCJEDZTPX-DPZWOIPNSA-N 2 0 314.473 2.777 20 0 DFADRP Cn1cc(C[C@@H]2CCC[C@@H]2[NH2+][C@H]2CC[N@H+](C)C(C)(C)C2)cn1 ZINC000623570429 399419228 /nfs/dbraw/zinc/41/92/28/399419228.db2.gz RIKBQWKWHYCDGE-ULQDDVLXSA-N 2 0 304.482 2.594 20 0 DFADRP CC(C)CC(=O)Nc1cccc(C[NH2+][C@H](C)[C@@H]2CC[NH2+]C2)c1 ZINC000422726067 296322196 /nfs/dbraw/zinc/32/21/96/296322196.db2.gz ZEURZLCMUKYGCF-GDBMZVCRSA-N 2 0 303.450 2.759 20 0 DFADRP C[C@H]([NH2+]CCc1ccncc1)c1cccc(OCC[NH+](C)C)c1 ZINC000268990269 207147166 /nfs/dbraw/zinc/14/71/66/207147166.db2.gz GANROHINZBUCRJ-INIZCTEOSA-N 2 0 313.445 2.915 20 0 DFADRP CN(C)[C@H](C[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1)c1cccc(F)c1 ZINC000422727819 296322436 /nfs/dbraw/zinc/32/24/36/296322436.db2.gz HZBSUTNMYXAPQI-NCXUSEDFSA-N 2 0 319.468 2.939 20 0 DFADRP Clc1ccc(CC[NH2+][C@@H]2CCOC[C@@H]2[C@@H]2CCC[NH2+]2)cc1 ZINC000422727391 296322466 /nfs/dbraw/zinc/32/24/66/296322466.db2.gz CFQFPSAUQQXJRR-IXDOHACOSA-N 2 0 308.853 2.629 20 0 DFADRP C[C@H](CCC[NH3+])[NH2+]Cc1cccc(NC(=O)c2ccncc2)c1 ZINC000422726954 296322608 /nfs/dbraw/zinc/32/26/08/296322608.db2.gz AYQSPTNIHHGATD-CQSZACIVSA-N 2 0 312.417 2.551 20 0 DFADRP CC[C@H]([NH2+]CCc1ccc(OC)c(OC)c1)[C@H]1CCCC[NH2+]1 ZINC000422728046 296322630 /nfs/dbraw/zinc/32/26/30/296322630.db2.gz ISLASODABFTPFF-JKSUJKDBSA-N 2 0 306.450 2.757 20 0 DFADRP C[C@H](NC[C@H](c1ccccc1)[NH+]1CCC(C)CC1)C1C[NH2+]C1 ZINC000422730428 296322803 /nfs/dbraw/zinc/32/28/03/296322803.db2.gz DXSASQVKVVUYLZ-QFBILLFUSA-N 2 0 301.478 2.657 20 0 DFADRP C[N@@H+]1CC[C@@H]([NH2+]C[C@@H]2CCN2Cc2ccccc2)CC1(C)C ZINC000623575125 399419611 /nfs/dbraw/zinc/41/96/11/399419611.db2.gz LWIMYICMMWPZKO-MSOLQXFVSA-N 2 0 301.478 2.723 20 0 DFADRP c1cc(CC[NH2+][C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)cc2c1OCC2 ZINC000422730911 296323253 /nfs/dbraw/zinc/32/32/53/296323253.db2.gz MTOCXISTDYEZSX-KZNAEPCWSA-N 2 0 300.446 2.674 20 0 DFADRP CC(C)[NH+]1CCC(O)(C[NH2+][C@H](C)Cc2ccc(F)cc2)CC1 ZINC000268997849 207154809 /nfs/dbraw/zinc/15/48/09/207154809.db2.gz IMOFORLJXMOFSE-OAHLLOKOSA-N 2 0 308.441 2.582 20 0 DFADRP Cc1ccccc1C[C@H](C)[NH2+]CC1(O)CC[NH+](C(C)C)CC1 ZINC000269041629 207192341 /nfs/dbraw/zinc/19/23/41/207192341.db2.gz XGOLYQSFFXVGGD-KRWDZBQOSA-N 2 0 304.478 2.751 20 0 DFADRP CC[NH+]1CCN([C@@H]2CC[N@H+](Cc3ccccc3C3CC3)C2)CC1 ZINC000611269136 399454695 /nfs/dbraw/zinc/45/46/95/399454695.db2.gz YKLSTQHIBWYCRN-LJQANCHMSA-N 2 0 313.489 2.776 20 0 DFADRP COC(=O)c1csc(CN2CC[C@H](C[NH+]3CCCCC3)C2)c1 ZINC000602475808 399455430 /nfs/dbraw/zinc/45/54/30/399455430.db2.gz KUXYLTHFNUVUBV-CQSZACIVSA-N 2 0 322.474 2.843 20 0 DFADRP Cc1scc(C[N@H+]2CC[C@H](N3CC[NH+](C(C)C)CC3)C2)c1C ZINC000602484239 399459169 /nfs/dbraw/zinc/45/91/69/399459169.db2.gz NDJQMDWUTFRGTB-SFHVURJKSA-N 2 0 321.534 2.965 20 0 DFADRP COC(=O)c1cc(C[NH2+]CCCC[N@@H+]2CCCC[C@@H]2C)[nH]c1C ZINC000602513717 399465347 /nfs/dbraw/zinc/46/53/47/399465347.db2.gz HAHIZOQMCYUUJA-AWEZNQCLSA-N 2 0 321.465 2.854 20 0 DFADRP CCOC(=O)C1([C@@H](C)[NH2+][C@H](C)c2ccccc2C)CC[NH2+]CC1 ZINC000422741255 296324434 /nfs/dbraw/zinc/32/44/34/296324434.db2.gz DBNKXQJYNGMOIA-HZPDHXFCSA-N 2 0 318.461 2.967 20 0 DFADRP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]Cc1ccccc1OCC(F)(F)F ZINC000422736618 296323685 /nfs/dbraw/zinc/32/36/85/296323685.db2.gz YKCUZHJSBCRAQW-AAEUAGOBSA-N 2 0 302.340 2.845 20 0 DFADRP c1ccc2c(c1)O[C@]1(CC[NH2+]C1)C[C@@H]2[NH2+]CC1CCSCC1 ZINC000422735738 296323843 /nfs/dbraw/zinc/32/38/43/296323843.db2.gz VBRBJXRRJDCPTQ-FUHWJXTLSA-N 2 0 318.486 2.975 20 0 DFADRP C[C@@H](NC[C@@H](c1ccccc1)[NH+]1CCCC1)[C@H]1CCCC[NH2+]1 ZINC000422737588 296323990 /nfs/dbraw/zinc/32/39/90/296323990.db2.gz ZXKTZIGTATWQIH-QRQLOZEOSA-N 2 0 301.478 2.944 20 0 DFADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+][C@@H]1CCC[C@H](C(=O)N(C)C)C1 ZINC000422739447 296324206 /nfs/dbraw/zinc/32/42/06/296324206.db2.gz LILHURCEOIAMDT-LTIDMASMSA-N 2 0 309.498 2.534 20 0 DFADRP OCc1cccc(C[NH2+][C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)c1 ZINC000422743145 296324866 /nfs/dbraw/zinc/32/48/66/296324866.db2.gz QZAFIRPKIVHYQR-ICSRJNTNSA-N 2 0 324.424 2.524 20 0 DFADRP COc1ccccc1[C@H](C[NH2+]C1CCC([NH3+])CC1)N1CCCC1 ZINC000422745315 296325221 /nfs/dbraw/zinc/32/52/21/296325221.db2.gz MATXUBPHNVSZCO-HTWSVDAQSA-N 2 0 317.477 2.692 20 0 DFADRP CN(C)[C@H](C[NH2+][C@@H]1CCCC[C@@H]1C[NH3+])c1c(F)cccc1F ZINC000422742402 296324776 /nfs/dbraw/zinc/32/47/76/296324776.db2.gz GGGNDRYZWCULLK-DAXOMENPSA-N 2 0 311.420 2.675 20 0 DFADRP C[NH2+]C[C@H](C)C(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC000269236565 207362024 /nfs/dbraw/zinc/36/20/24/207362024.db2.gz GVTHABLUGZEAQP-HNNXBMFYSA-N 2 0 303.450 2.509 20 0 DFADRP COc1cccc([C@H](CN[C@H]2CCC[NH2+]CC2)[NH+]2CCCC2)c1 ZINC000422752741 296326815 /nfs/dbraw/zinc/32/68/15/296326815.db2.gz FIEFGXWSQPXJOE-HKUYNNGSSA-N 2 0 317.477 2.564 20 0 DFADRP COc1cccc([C@@H](CN[C@H]2CCC[NH2+]CC2)[NH+]2CCCC2)c1 ZINC000422752744 296326839 /nfs/dbraw/zinc/32/68/39/296326839.db2.gz FIEFGXWSQPXJOE-PKOBYXMFSA-N 2 0 317.477 2.564 20 0 DFADRP CCOc1cc(CCC[NH2+][C@H]2CCC[NH2+]CC2)ccc1OC ZINC000422751637 296326431 /nfs/dbraw/zinc/32/64/31/296326431.db2.gz GGGAURPRRQLWAQ-INIZCTEOSA-N 2 0 306.450 2.758 20 0 DFADRP [NH3+][C@@H]1CCC[C@@H]1[NH2+]CCCc1ccc(Br)cc1F ZINC000422751209 296326466 /nfs/dbraw/zinc/32/64/66/296326466.db2.gz AXZJDRQSPCFOON-KGLIPLIRSA-N 2 0 315.230 2.990 20 0 DFADRP CCCC[N@H+](CC)Cc1cccc(CNC(=O)CCC[NH3+])c1 ZINC000269239030 207369412 /nfs/dbraw/zinc/36/94/12/207369412.db2.gz AEQHUOSGRYCFGO-UHFFFAOYSA-N 2 0 305.466 2.664 20 0 DFADRP [NH3+]CC1CCC([NH2+][C@@H]2CCCN(c3cccc(F)c3)C2)CC1 ZINC000422753860 296327026 /nfs/dbraw/zinc/32/70/26/296327026.db2.gz FGASCHWRLZUJCW-BDVYOWHSSA-N 2 0 305.441 2.902 20 0 DFADRP O=C1CCCCCN1CCC[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1 ZINC000422758712 296327917 /nfs/dbraw/zinc/32/79/17/296327917.db2.gz OFGMXSOYUHYSRT-OKZBNKHCSA-N 2 0 321.509 2.680 20 0 DFADRP c1ccc2c(c1)O[C@]1(CC[NH2+]C1)C[C@H]2[NH2+]CCOC1CCCC1 ZINC000422759841 296327954 /nfs/dbraw/zinc/32/79/54/296327954.db2.gz KGAYYQYPACQDLS-IEBWSBKVSA-N 2 0 316.445 2.791 20 0 DFADRP COc1cccc([C@H](C[NH2+][C@H](C)CCC[NH3+])N2CCCC2)c1 ZINC000422763081 296328965 /nfs/dbraw/zinc/32/89/65/296328965.db2.gz OMFAXGABYPXDSB-QAPCUYQASA-N 2 0 305.466 2.549 20 0 DFADRP CC(C)(C)[C@@H]1OCCC[C@@H]1C[NH2+][C@@H]1CCOC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000422760488 296328394 /nfs/dbraw/zinc/32/83/94/296328394.db2.gz LWANFXKHWSUXLB-UYTYNIKBSA-N 2 0 324.509 2.574 20 0 DFADRP COc1ccc([C@H](CN[C@H]2CCC[C@H]2C[NH3+])[NH+]2CCCC2)cc1 ZINC000422767149 296329709 /nfs/dbraw/zinc/32/97/09/296329709.db2.gz YEOXJIRJTLCSJO-WDSOQIARSA-N 2 0 317.477 2.549 20 0 DFADRP CC[C@@H]([NH2+]CCc1ccc2c(c1)OCCO2)[C@H]1CCCC[NH2+]1 ZINC000422765464 296329256 /nfs/dbraw/zinc/32/92/56/296329256.db2.gz WBWLGKDYNGBBDO-HZPDHXFCSA-N 2 0 304.434 2.511 20 0 DFADRP C[C@@H]([NH2+]Cc1ccc(OCC[NH+](C)C)cc1)[C@H]1CCCCO1 ZINC000623866361 399482761 /nfs/dbraw/zinc/48/27/61/399482761.db2.gz SKQORIDIGRNRCS-CRAIPNDOSA-N 2 0 306.450 2.674 20 0 DFADRP C[C@@H]([NH2+]Cc1cccc(OCC[NH+](C)C)c1)[C@@H]1CCCCO1 ZINC000623866260 399482948 /nfs/dbraw/zinc/48/29/48/399482948.db2.gz PZQKDIKITHCUSX-QAPCUYQASA-N 2 0 306.450 2.674 20 0 DFADRP Brc1ccc(CC[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000422763796 296329439 /nfs/dbraw/zinc/32/94/39/296329439.db2.gz PMPDZCYRPJCXBS-YIONKMFJSA-N 2 0 309.251 2.864 20 0 DFADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]CCc1ccc(Br)cc1 ZINC000422770068 296330338 /nfs/dbraw/zinc/33/03/38/296330338.db2.gz WIQKQDUPXPFREY-IUODEOHRSA-N 2 0 311.267 2.969 20 0 DFADRP [NH3+]CC1CCC([NH2+]CC2(c3ccc(F)cc3)CCOCC2)CC1 ZINC000422771106 296330363 /nfs/dbraw/zinc/33/03/63/296330363.db2.gz XRHCTPRIXPVJGQ-UHFFFAOYSA-N 2 0 320.452 2.981 20 0 DFADRP c1ccc2c(c1)O[C@]1(CC[NH2+]C1)C[C@H]2[NH2+]CCCOCC1CC1 ZINC000422782705 296331844 /nfs/dbraw/zinc/33/18/44/296331844.db2.gz KCAAZOJPPWXJEG-IEBWSBKVSA-N 2 0 316.445 2.649 20 0 DFADRP CN(C)C(=O)c1cccc(CC[NH2+][C@@H]2C[C@H]([NH3+])c3ccccc32)c1 ZINC000422779485 296331520 /nfs/dbraw/zinc/33/15/20/296331520.db2.gz JASVOHCKLVSCKR-RBUKOAKNSA-N 2 0 323.440 2.665 20 0 DFADRP CC[C@H](CCc1ccccc1)[NH2+]C[C@H](C)N1CC[NH+](C)CC1 ZINC000623888735 399487654 /nfs/dbraw/zinc/48/76/54/399487654.db2.gz ROHKPZZUMMLWFI-PKOBYXMFSA-N 2 0 303.494 2.623 20 0 DFADRP CC[C@H]([NH2+][C@@H](C)CN1CC[NH+](C)CC1)c1cc(C)ccc1C ZINC000623889259 399487811 /nfs/dbraw/zinc/48/78/11/399487811.db2.gz IRLTURKVBCJAOG-HKUYNNGSSA-N 2 0 303.494 2.980 20 0 DFADRP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000422785831 296332522 /nfs/dbraw/zinc/33/25/22/296332522.db2.gz KDFYUDZLNLMCIR-OALUTQOASA-N 3 0 301.478 2.890 20 0 DFADRP COc1ccc(C[NH+]2CCC(C[NH2+][C@@H](C)C[C@@H](C)[NH3+])CC2)cc1 ZINC000422780478 296332032 /nfs/dbraw/zinc/33/20/32/296332032.db2.gz KDDZAPVIDUJVTJ-CVEARBPZSA-N 3 0 319.493 2.623 20 0 DFADRP Cc1nc2ccccc2n1CC[NH2+][C@@H](C)c1ccc(C[NH3+])nc1C ZINC000422785210 296332160 /nfs/dbraw/zinc/33/21/60/296332160.db2.gz MWYSPXFKJYHZNZ-ZDUSSCGKSA-N 2 0 323.444 2.858 20 0 DFADRP C[C@H]1CC[NH2+]CC[C@H]1[NH2+]Cc1ccc(C[NH+]2CCCC2)cc1 ZINC000422786483 296332596 /nfs/dbraw/zinc/33/25/96/296332596.db2.gz OYIYAAOZUACABV-QFBILLFUSA-N 3 0 301.478 2.760 20 0 DFADRP C[C@H](C[NH2+][C@@H]1CCOC[C@@H]1[C@H]1CCC[NH2+]1)Cc1cccs1 ZINC000422786809 296332786 /nfs/dbraw/zinc/33/27/86/296332786.db2.gz SVFAQBVHWNPXSJ-RKTXRCNFSA-N 2 0 308.491 2.673 20 0 DFADRP CCOC(=O)[C@](C)(C[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1)c1ccccc1 ZINC000602629748 399496273 /nfs/dbraw/zinc/49/62/73/399496273.db2.gz JFZOUASKDOWEMU-VDZJLULYSA-N 2 0 318.461 2.580 20 0 DFADRP COC[C@@H](CCC[NH3+])[NH2+]Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000422793164 296333745 /nfs/dbraw/zinc/33/37/45/296333745.db2.gz RWDJSFIIBBNCRE-LJQANCHMSA-N 3 0 319.493 2.516 20 0 DFADRP COc1ccc(OCC[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)cc1 ZINC000422791499 296333831 /nfs/dbraw/zinc/33/38/31/296333831.db2.gz QGJGMLLCQZHODT-CEXWTWQISA-N 2 0 318.461 2.974 20 0 DFADRP COC[C@@H](CCC[NH3+])[NH2+]Cc1ccc2cc(OC)ccc2c1 ZINC000422795884 296334303 /nfs/dbraw/zinc/33/43/03/296334303.db2.gz IGKRXYIAFIYNRJ-QGZVFWFLSA-N 2 0 302.418 2.692 20 0 DFADRP COc1cccc(O[C@H](C)C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)c1 ZINC000422795478 296334351 /nfs/dbraw/zinc/33/43/51/296334351.db2.gz VRDCSKMZVNRKGH-ZWQIFLOQSA-N 2 0 318.461 2.973 20 0 DFADRP C[C@H]([NH2+]Cc1ccc(C[NH+]2CCCCC2)cc1)[C@@H]1CC[NH2+]C1 ZINC000422796623 296334475 /nfs/dbraw/zinc/33/44/75/296334475.db2.gz YRZAZRKFYCEOHK-QFBILLFUSA-N 3 0 301.478 2.760 20 0 DFADRP C[C@@H](NCc1ccc(C[NH+]2CCCCC2)cc1)[C@@H]1CCC[NH2+]1 ZINC000422797124 296334762 /nfs/dbraw/zinc/33/47/62/296334762.db2.gz ZWMWAMHJPWMGGY-APWZRJJASA-N 2 0 301.478 2.903 20 0 DFADRP C[C@H](C[NH2+][C@H]1CCC[C@@H]1[NH3+])Oc1cccc(Br)c1 ZINC000422798819 296335179 /nfs/dbraw/zinc/33/51/79/296335179.db2.gz SXUFBHAFESTNTK-SWHYSGLUSA-N 2 0 313.239 2.686 20 0 DFADRP C[C@H]([NH3+])C[C@H](C)[NH2+]C[C@H](C)Oc1ccc(Br)cc1 ZINC000422799063 296335213 /nfs/dbraw/zinc/33/52/13/296335213.db2.gz UWQSNWRPIZLXOX-SRVKXCTJSA-N 2 0 315.255 2.932 20 0 DFADRP CC[C@@H](C[NH2+]C1CCC(C[NH3+])CC1)N1CCc2ccccc2C1 ZINC000422804366 296336340 /nfs/dbraw/zinc/33/63/40/296336340.db2.gz HNKDTLVETSVFNF-GQOXECLESA-N 2 0 315.505 2.930 20 0 DFADRP COC[C@H](CCC[NH3+])[NH2+]C[C@@H]1CCCO[C@H]1c1ccc(C)cc1 ZINC000422802507 296335769 /nfs/dbraw/zinc/33/57/69/296335769.db2.gz DKFVTQIZTFKYRI-FHWLQOOXSA-N 2 0 320.477 2.806 20 0 DFADRP CCOC(=O)C1([C@@H](C)[NH2+]CCC2CCCCC2)CC[NH2+]CC1 ZINC000422809179 296336837 /nfs/dbraw/zinc/33/68/37/296336837.db2.gz POGMWESIKSOVKB-OAHLLOKOSA-N 2 0 310.482 2.868 20 0 DFADRP FC(F)(F)COCc1ccc(C[NH2+]C2CC[NH2+]CC2)cc1 ZINC000422809639 296336861 /nfs/dbraw/zinc/33/68/61/296336861.db2.gz MJLLXFGPACGTBX-UHFFFAOYSA-N 2 0 302.340 2.607 20 0 DFADRP CC1CC[NH+](Cc2ccc(CN[C@@H]3CCC[C@H]3[NH3+])cc2)CC1 ZINC000422810949 296337301 /nfs/dbraw/zinc/33/73/01/296337301.db2.gz VAAXREKSGHJIHR-RTBURBONSA-N 2 0 301.478 2.888 20 0 DFADRP C[C@H]([NH2+]Cc1ccc(C[NH+]2CCC(C)CC2)cc1)C1C[NH2+]C1 ZINC000422810989 296337310 /nfs/dbraw/zinc/33/73/10/296337310.db2.gz VCWKRXCNWNXUBQ-INIZCTEOSA-N 3 0 301.478 2.616 20 0 DFADRP CCOC(=O)C1([C@@H](C)[NH2+][C@@H](C)Cc2cccs2)CC[NH2+]CC1 ZINC000422813648 296337816 /nfs/dbraw/zinc/33/78/16/296337816.db2.gz YJFCVFDETHREHR-UONOGXRCSA-N 2 0 324.490 2.590 20 0 DFADRP CC[C@@H](NCC[N@@H+]1CCc2ccccc2C1)[C@H]1CCCC[NH2+]1 ZINC000422812650 296337634 /nfs/dbraw/zinc/33/76/34/296337634.db2.gz YCLYXYHYFHNDPD-RTBURBONSA-N 2 0 301.478 2.555 20 0 DFADRP C[C@@H](NC1CC[NH+](C2CCCCC2)CC1)c1c[nH+]ccc1N ZINC000422818540 296338931 /nfs/dbraw/zinc/33/89/31/296338931.db2.gz GRGWHZVHELMRLX-CQSZACIVSA-N 2 0 302.466 2.942 20 0 DFADRP [NH3+]C1CCC([NH2+]CCC2CCN(CC(F)(F)F)CC2)CC1 ZINC000422821432 296339342 /nfs/dbraw/zinc/33/93/42/296339342.db2.gz WCTAJVXDESHDPB-UHFFFAOYSA-N 2 0 307.404 2.510 20 0 DFADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]CCOc1ccc(F)cc1F ZINC000422819718 296339199 /nfs/dbraw/zinc/33/91/99/296339199.db2.gz NQPQCUFAPSNQGH-NSHDSACASA-N 2 0 321.371 2.857 20 0 DFADRP C[C@@H]1C[N@H+](Cc2cccc(C(=O)Nc3ccccc3)c2)C[C@@H]1C[NH3+] ZINC000631842158 399506029 /nfs/dbraw/zinc/50/60/29/399506029.db2.gz WHQKTDGYLDREMP-QAPCUYQASA-N 2 0 323.440 2.966 20 0 DFADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]Cc1cccnc1OCC(F)(F)F ZINC000422823679 296339716 /nfs/dbraw/zinc/33/97/16/296339716.db2.gz DWCDHTHWCGLBHZ-AAEUAGOBSA-N 2 0 317.355 2.630 20 0 DFADRP CC[C@@H]([NH2+]CC(C)(C)c1ccc2c(c1)OCCO2)[C@@H]1CCC[NH2+]1 ZINC000422823383 296339744 /nfs/dbraw/zinc/33/97/44/296339744.db2.gz LKNDPRGCPOTKRB-CVEARBPZSA-N 2 0 318.461 2.856 20 0 DFADRP C[C@@H](c1cccc2ccccc21)[N@@H+]1CC[C@@H](n2cc(C[NH3+])nn2)C1 ZINC000631845835 399507801 /nfs/dbraw/zinc/50/78/01/399507801.db2.gz MDFKKXHYHVEARP-WMLDXEAASA-N 2 0 321.428 2.898 20 0 DFADRP C[C@@H]1CCNC[C@H]1[NH2+]CC1CC[NH+](Cc2cccs2)CC1 ZINC000422830739 296341062 /nfs/dbraw/zinc/34/10/62/296341062.db2.gz RQCUNFISHOJWNG-RHSMWYFYSA-N 2 0 307.507 2.548 20 0 DFADRP C[C@H]([NH2+]CC1CC[NH+](Cc2cccs2)CC1)[C@@H]1CCC[NH2+]1 ZINC000422830409 296341098 /nfs/dbraw/zinc/34/10/98/296341098.db2.gz QZIWNGURXMGEAS-YOEHRIQHSA-N 3 0 307.507 2.690 20 0 DFADRP C[C@@H]([NH2+]CC1CC[NH+](Cc2cccs2)CC1)[C@@H]1CCC[NH2+]1 ZINC000422830406 296341179 /nfs/dbraw/zinc/34/11/79/296341179.db2.gz QZIWNGURXMGEAS-PBHICJAKSA-N 3 0 307.507 2.690 20 0 DFADRP C[C@H]([NH2+]Cc1ccc(-n2cnc3ccccc32)cc1)C1C[NH2+]C1 ZINC000422827799 296340257 /nfs/dbraw/zinc/34/02/57/296340257.db2.gz NLALBDDXTCPFSX-AWEZNQCLSA-N 2 0 306.413 2.723 20 0 DFADRP CCCOc1ccc(C[NH2+][C@@H]2CC[NH2+]CC[C@H]2C)cc1OC ZINC000422827017 296340431 /nfs/dbraw/zinc/34/04/31/296340431.db2.gz MLDHEMOUVJPITK-GDBMZVCRSA-N 2 0 306.450 2.962 20 0 DFADRP CC[NH+](CC)[C@H](CN[C@H](C)[C@@H]1CCC[NH2+]1)Cc1ccccc1 ZINC000422828726 296340636 /nfs/dbraw/zinc/34/06/36/296340636.db2.gz GPKJUCMUMGBEJP-NEWSRXKRSA-N 2 0 303.494 2.670 20 0 DFADRP c1csc(CN2CCC[C@@H](C[NH2+][C@H]3CCC[NH2+]CC3)C2)c1 ZINC000422829924 296340664 /nfs/dbraw/zinc/34/06/64/296340664.db2.gz CHLFDGWEEMZUNL-HOTGVXAUSA-N 2 0 307.507 2.692 20 0 DFADRP C[C@H](C[NH+]1CCCCC1)N[C@H]1CC[NH2+][C@H](c2ccccc2)C1 ZINC000422838942 296342268 /nfs/dbraw/zinc/34/22/68/296342268.db2.gz YUFYXACGPKQFCR-NEWSRXKRSA-N 2 0 301.478 2.944 20 0 DFADRP CCOc1c(OC)cc(C[NH2+][C@@H]2CC[NH2+]CC[C@@H]2C)cc1OC ZINC000422839992 296342295 /nfs/dbraw/zinc/34/22/95/296342295.db2.gz RUISKVIPNGGXBZ-DZGCQCFKSA-N 2 0 322.449 2.580 20 0 DFADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]C[C@@H]1CCCN(Cc2cccs2)C1 ZINC000422839513 296342404 /nfs/dbraw/zinc/34/24/04/296342404.db2.gz QJAOJKOVWSWLHR-SOLBZPMBSA-N 2 0 321.534 2.938 20 0 DFADRP C[C@H](C[NH+]1CCCCC1)N[C@H]1CC[NH2+][C@@H](c2ccccc2)C1 ZINC000422838943 296342411 /nfs/dbraw/zinc/34/24/11/296342411.db2.gz YUFYXACGPKQFCR-NZSAHSFTSA-N 2 0 301.478 2.944 20 0 DFADRP CCc1ccc(C(C)(C)C[NH2+][C@@H]2CCOC[C@@H]2[C@H](C)[NH3+])cc1 ZINC000422839834 296342414 /nfs/dbraw/zinc/34/24/14/296342414.db2.gz RNKSACULEZRMGU-BMGDILEWSA-N 2 0 304.478 2.869 20 0 DFADRP C[C@@H](CCC[NH3+])[NH2+]C[C@H](C)Oc1ccccc1Br ZINC000422835059 296341631 /nfs/dbraw/zinc/34/16/31/296341631.db2.gz IDJIRCKHBWNXIA-RYUDHWBXSA-N 2 0 315.255 2.933 20 0 DFADRP C[C@H](NC[C@H]1CCC[N@H+](Cc2cccs2)C1)[C@H]1CCC[NH2+]1 ZINC000422834953 296341756 /nfs/dbraw/zinc/34/17/56/296341756.db2.gz HZWQVDBPUJQBGD-ZMSDIMECSA-N 2 0 307.507 2.690 20 0 DFADRP CCO[C@@H]1C[C@H]([NH2+][C@@H]2CCOC[C@@H]2[C@H]2CCC[NH2+]2)C1(CC)CC ZINC000422837785 296341944 /nfs/dbraw/zinc/34/19/44/296341944.db2.gz MUAUERGWBZCUCO-HSFUPAIVSA-N 2 0 324.509 2.717 20 0 DFADRP C[NH+](C)[C@@H]1CCC[C@H](N[C@@H]2CC[NH2+][C@H](c3ccccc3)C2)C1 ZINC000422836440 296342003 /nfs/dbraw/zinc/34/20/03/296342003.db2.gz KFOKWAHVIZHHTN-MANSERQUSA-N 2 0 301.478 2.942 20 0 DFADRP C[C@H](C[C@H](C)[NH3+])[NH2+]Cc1ccc(NC(=O)c2ccncc2)cc1 ZINC000422844561 296343308 /nfs/dbraw/zinc/34/33/08/296343308.db2.gz MEZLTBWFJXTNST-UONOGXRCSA-N 2 0 312.417 2.549 20 0 DFADRP C[C@@H](NC[C@H](c1cccc(Cl)c1)[NH+]1CCCC1)C1C[NH2+]C1 ZINC000422843529 296343355 /nfs/dbraw/zinc/34/33/55/296343355.db2.gz IQGZCDOHRDZMIY-CXAGYDPISA-N 2 0 307.869 2.674 20 0 DFADRP c1ccc(C2(C[NH2+]C3C[C@H]4CC[C@@H](C3)[NH2+]4)CCOCC2)cc1 ZINC000422843470 296343379 /nfs/dbraw/zinc/34/33/79/296343379.db2.gz IKEOPUFTUYRYQT-JWTNVVGKSA-N 2 0 300.446 2.607 20 0 DFADRP C[C@H]([NH3+])[C@@H]1COCC[C@H]1[NH2+]CCc1ccc(C(C)(C)C)cc1 ZINC000422844072 296343428 /nfs/dbraw/zinc/34/34/28/296343428.db2.gz KSRGYZURQOOHPE-JCGIZDLHSA-N 2 0 304.478 2.869 20 0 DFADRP [NH3+][C@@H]1CCCCC[C@H]1[NH2+]CC1(c2ccccc2)CCOCC1 ZINC000422841838 296342863 /nfs/dbraw/zinc/34/28/63/296342863.db2.gz DSTHCFYGWXAGEP-QZTJIDSGSA-N 2 0 302.462 2.984 20 0 DFADRP CC[C@H]([NH2+]C[C@@H]1CCN(c2ccccc2OC)C1)[C@@H]1CCC[NH2+]1 ZINC000422846679 296343992 /nfs/dbraw/zinc/34/39/92/296343992.db2.gz GDRYYQAJTJOBLK-ULQDDVLXSA-N 2 0 317.477 2.642 20 0 DFADRP C[C@@H](CCCC[NH3+])[NH2+]C1CCN(C(=O)c2ccccc2F)CC1 ZINC000422854858 296345579 /nfs/dbraw/zinc/34/55/79/296345579.db2.gz DFODKCFFXVWVJX-AWEZNQCLSA-N 2 0 321.440 2.537 20 0 DFADRP COc1cc(C)c([C@@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1OC ZINC000422855777 296345654 /nfs/dbraw/zinc/34/56/54/296345654.db2.gz FDXQXCBKEINUAC-JKXDFHQYSA-N 2 0 304.434 2.946 20 0 DFADRP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+][C@@H]1CCN(c2c(F)cccc2F)C1 ZINC000422861360 296346536 /nfs/dbraw/zinc/34/65/36/296346536.db2.gz JFFUHXQVDPGDRB-WQVCFCJDSA-N 2 0 309.404 2.793 20 0 DFADRP COc1ccc(C(C)(C)C[NH2+][C@@H]2CC[NH2+]CC[C@@H]2C)cc1OC ZINC000422864773 296346828 /nfs/dbraw/zinc/34/68/28/296346828.db2.gz VZHCHQHSXUYIBN-GOEBONIOSA-N 2 0 320.477 2.959 20 0 DFADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CCN(c2c(F)cccc2F)C1 ZINC000422863937 296346847 /nfs/dbraw/zinc/34/68/47/296346847.db2.gz MCTSAUGTYSONJZ-ZENOOKHLSA-N 2 0 309.404 2.651 20 0 DFADRP Cc1ccc(OCCC[NH2+][C@@H]2CCOC[C@H]2[C@@H]2CCC[NH2+]2)cc1 ZINC000422862987 296346897 /nfs/dbraw/zinc/34/68/97/296346897.db2.gz QWJOZLIGMBNTMI-GBESFXJTSA-N 2 0 318.461 2.511 20 0 DFADRP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+][C@@H]1CCN(c2ccccc2)C1 ZINC000422865464 296347056 /nfs/dbraw/zinc/34/70/56/296347056.db2.gz YEIZORRIJBUCLL-HQRMLTQVSA-N 2 0 309.457 2.813 20 0 DFADRP CCOCCOCc1cccc(C[NH2+]C2CCC(C[NH3+])CC2)c1 ZINC000422858756 296345812 /nfs/dbraw/zinc/34/58/12/296345812.db2.gz JDNGTUFOMUVPEN-UHFFFAOYSA-N 2 0 320.477 2.847 20 0 DFADRP CC[C@H]([NH2+]C1CCN(CC(F)(F)F)CC1)[C@H]1CCCC[NH2+]1 ZINC000422857571 296345832 /nfs/dbraw/zinc/34/58/32/296345832.db2.gz HABGCKDOKUCCNT-UONOGXRCSA-N 2 0 307.404 2.523 20 0 DFADRP CCOCCOCc1cccc(C[NH2+][C@H]2CC[NH2+]CC[C@H]2C)c1 ZINC000422858527 296345845 /nfs/dbraw/zinc/34/58/45/296345845.db2.gz IWUCVOGPFMXSJA-APWZRJJASA-N 2 0 320.477 2.717 20 0 DFADRP COc1ccc(C(C)(C)C[NH2+][C@@H]2CCC[C@@H]2C[NH3+])cc1OC ZINC000422858217 296345970 /nfs/dbraw/zinc/34/59/70/296345970.db2.gz ICEDWYFXVLHCAT-UKRRQHHQSA-N 2 0 306.450 2.698 20 0 DFADRP [NH3+][C@H]1C[C@@H]([NH2+]C2CCN(CC(F)(F)F)CC2)c2ccccc21 ZINC000422859155 296346192 /nfs/dbraw/zinc/34/61/92/296346192.db2.gz JQPSCCFVLSEZQC-LSDHHAIUSA-N 2 0 313.367 2.748 20 0 DFADRP [NH3+][C@@H]1C[C@@H]([NH2+]C2CCN(CC(F)(F)F)CC2)c2ccccc21 ZINC000422859154 296346243 /nfs/dbraw/zinc/34/62/43/296346243.db2.gz JQPSCCFVLSEZQC-HUUCEWRRSA-N 2 0 313.367 2.748 20 0 DFADRP C[C@@H]1CCC[N@H+](Cc2ccc(CN[C@H]3CCC[C@H]3[NH3+])cc2)C1 ZINC000422868741 296347403 /nfs/dbraw/zinc/34/74/03/296347403.db2.gz VTWLPEVIWCDYSG-LZQZEXGQSA-N 2 0 301.478 2.888 20 0 DFADRP COCCCOc1cc(C)ccc1C[NH2+][C@@H]1CCC[C@@H]1C[NH3+] ZINC000422869062 296347450 /nfs/dbraw/zinc/34/74/50/296347450.db2.gz WAGMDUNNIADWLJ-NVXWUHKLSA-N 2 0 306.450 2.627 20 0 DFADRP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(N2CCCCC2)nc1 ZINC000422878957 296349305 /nfs/dbraw/zinc/34/93/05/296349305.db2.gz LNKKQWBNFHYSHD-DLBZAZTESA-N 2 0 302.466 2.679 20 0 DFADRP C[C@@H]1C[C@@H]([NH2+][C@H]2CC[NH2+]CC[C@H]2C)CN1Cc1ccccc1 ZINC000422875575 296348686 /nfs/dbraw/zinc/34/86/86/296348686.db2.gz PFRLDJJEACABJC-RWQQGDIJSA-N 2 0 301.478 2.627 20 0 DFADRP Cc1nc(CC[NH2+][C@@H](C)c2ccc(C[NH3+])nc2C)sc1C ZINC000422890316 296351407 /nfs/dbraw/zinc/35/14/07/296351407.db2.gz IDADKOKGYAFDPE-NSHDSACASA-N 2 0 304.463 2.815 20 0 DFADRP C[C@H](C[C@H](C)[NH3+])N[C@H]1[C@H](C)C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000422892447 296351431 /nfs/dbraw/zinc/35/14/31/296351431.db2.gz YPCPPJCMZITFHB-HTBDUDNFSA-N 2 0 303.494 2.858 20 0 DFADRP C[C@@H]1C[C@@H](C)C[NH+](Cc2ccccc2CN[C@@H]2CC[NH2+]C2)C1 ZINC000422892167 296351501 /nfs/dbraw/zinc/35/15/01/296351501.db2.gz MKLFGQAIBSCAEW-GPMSIDNRSA-N 2 0 301.478 2.616 20 0 DFADRP COCCOc1ccc([C@@H](C)[NH2+][C@H]2CCC[NH2+]CC2)cc1OC ZINC000422892319 296351545 /nfs/dbraw/zinc/35/15/45/296351545.db2.gz MRORQVOLYJNOPV-ZBFHGGJFSA-N 2 0 322.449 2.513 20 0 DFADRP CC[NH+](CC)CCOc1ccccc1CN[C@H]1CCC[NH2+]CC1 ZINC000422890540 296351584 /nfs/dbraw/zinc/35/15/84/296351584.db2.gz IMVPBULGSANVTN-SFHVURJKSA-N 2 0 319.493 2.639 20 0 DFADRP CC1CCN(c2ccc(C[NH2+][C@H]3CCC[C@@H]3C[NH3+])cn2)CC1 ZINC000422886954 296350775 /nfs/dbraw/zinc/35/07/75/296350775.db2.gz AENJUKGZJKSHJP-SJORKVTESA-N 2 0 302.466 2.535 20 0 DFADRP COc1ccc(COCCC[NH2+][C@H](C)[C@H]2CCCC[NH2+]2)cc1 ZINC000422902457 296353491 /nfs/dbraw/zinc/35/34/91/296353491.db2.gz DFWBNQNPCWYIEM-CRAIPNDOSA-N 2 0 306.450 2.722 20 0 DFADRP CC1CCN(c2ccc(C[NH2+][C@H]3CCCC[C@H]3C[NH3+])cn2)CC1 ZINC000422892561 296351849 /nfs/dbraw/zinc/35/18/49/296351849.db2.gz NIHPDACBXHLGSF-ROUUACIJSA-N 2 0 316.493 2.925 20 0 DFADRP C[C@H](C[C@@H]1CCCO1)[NH2+][C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422898570 296352454 /nfs/dbraw/zinc/35/24/54/296352454.db2.gz FKTGBONYKWJFFB-YEWFCNIMSA-N 2 0 316.445 2.790 20 0 DFADRP CC[NH+](CC)CCOc1ccccc1C[NH2+][C@H]1CCC[C@@H]1C[NH3+] ZINC000422897342 296352509 /nfs/dbraw/zinc/35/25/09/296352509.db2.gz ZQMYHNDQSOQMQX-AEFFLSMTSA-N 3 0 319.493 2.624 20 0 DFADRP [NH3+][C@H]1C[C@H](NC2CC[NH+](Cc3ccccn3)CC2)c2ccccc21 ZINC000422897704 296352566 /nfs/dbraw/zinc/35/25/66/296352566.db2.gz KERTYIJJAOQYPX-PMACEKPBSA-N 2 0 322.456 2.780 20 0 DFADRP C[C@@H]([NH2+][C@H](C)C1C[NH2+]C1)c1ccc(OCC(F)(F)F)cc1 ZINC000422897275 296352601 /nfs/dbraw/zinc/35/26/01/296352601.db2.gz BVFWULMZVFXFNS-GHMZBOCLSA-N 2 0 302.340 2.886 20 0 DFADRP [NH3+]C[C@@H]1CCC[C@H]1[NH2+][C@@H]1CCCN(Cc2c(F)cccc2F)C1 ZINC000422903269 296353737 /nfs/dbraw/zinc/35/37/37/296353737.db2.gz FHHWGINRXFXTSJ-PMUMKWKESA-N 2 0 323.431 2.646 20 0 DFADRP C[C@H](CCCC[NH3+])[NH2+]CCc1nc(-c2ccncc2)cs1 ZINC000422908385 296354515 /nfs/dbraw/zinc/35/45/15/296354515.db2.gz DIRCCKMGKAGBBO-CYBMUJFWSA-N 2 0 304.463 2.855 20 0 DFADRP COc1cccc(N2CC[C@H](C[NH2+][C@H](C)CCCC[NH3+])C2)c1 ZINC000422908349 296354595 /nfs/dbraw/zinc/35/45/95/296354595.db2.gz YHQYMPDPIDCFNK-HZPDHXFCSA-N 2 0 305.466 2.629 20 0 DFADRP Cc1ccccc1C[NH+]1CCC(N[C@@H]2CCC[NH2+]CC2)CC1 ZINC000422904905 296353660 /nfs/dbraw/zinc/35/36/60/296353660.db2.gz YHYXBUSTPXJMJY-GOSISDBHSA-N 2 0 301.478 2.691 20 0 DFADRP CC[NH+]1CCN(c2ccccc2N[C@@H](C)CCCC[NH3+])CC1 ZINC000422916325 296355459 /nfs/dbraw/zinc/35/54/59/296355459.db2.gz DHXIMJRLRGBRQW-INIZCTEOSA-N 2 0 304.482 2.758 20 0 DFADRP CC(C)[C@@H]1OCCC[C@@H]1C[NH2+][C@H](Cc1ccccc1)[C@@H](C)[NH3+] ZINC000422921281 296355559 /nfs/dbraw/zinc/35/55/59/296355559.db2.gz PLNOHJNYSBIISB-OWYHZJEWSA-N 2 0 304.478 2.986 20 0 DFADRP C[C@H](O)CC(C)(C)C[NH2+][C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422919439 296355773 /nfs/dbraw/zinc/35/57/73/296355773.db2.gz JYINRFWRXWIXHN-ZSZQSSIHSA-N 2 0 318.461 2.629 20 0 DFADRP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1[NH2+]CCC12CC3CC(CC(C3)C1)C2 ZINC000422928983 296356535 /nfs/dbraw/zinc/35/65/35/296356535.db2.gz NSSMWKOMKBVRFP-DJATZLHMSA-N 2 0 306.494 2.935 20 0 DFADRP COc1cc(OC)cc(OCCC[NH2+][C@H]2CCCCC[C@@H]2[NH3+])c1 ZINC000422929026 296356601 /nfs/dbraw/zinc/35/66/01/296356601.db2.gz NYFNCJCQPJFKTG-ROUUACIJSA-N 2 0 322.449 2.722 20 0 DFADRP C[C@@H](CCCC[NH3+])[NH2+]Cc1ccc(Cn2ccccc2=O)cc1 ZINC000422936714 296357952 /nfs/dbraw/zinc/35/79/52/296357952.db2.gz FVDWDWPCCGJSPI-INIZCTEOSA-N 2 0 313.445 2.504 20 0 DFADRP COc1cc([C@H](C)[NH2+][C@H](C)C2C[NH2+]C2)ccc1OCC(C)C ZINC000422937315 296357995 /nfs/dbraw/zinc/35/79/95/296357995.db2.gz JLKCOMFJMHLVRP-UONOGXRCSA-N 2 0 306.450 2.989 20 0 DFADRP C[C@@H]([NH3+])C[C@H](C)[NH2+]C1CCN(c2nc3ccccc3s2)CC1 ZINC000422934296 296357638 /nfs/dbraw/zinc/35/76/38/296357638.db2.gz CIRTVVRIVWKJDF-OLZOCXBDSA-N 2 0 318.490 2.981 20 0 DFADRP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]CCOc1ccc(F)cc1 ZINC000422934428 296357664 /nfs/dbraw/zinc/35/76/64/296357664.db2.gz FWFSJRLVHUVPAY-KSSFIOAISA-N 2 0 302.393 2.753 20 0 DFADRP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]CCc1ccc(F)c(Br)c1 ZINC000422935055 296357682 /nfs/dbraw/zinc/35/76/82/296357682.db2.gz KJMXQVZWJUXIHO-FZMZJTMJSA-N 2 0 315.230 2.848 20 0 DFADRP C[C@@H]([NH2+]CCc1ccc(F)c(Br)c1)[C@@H]1CC[NH2+]C1 ZINC000422935955 296357701 /nfs/dbraw/zinc/35/77/01/296357701.db2.gz LJFGUUQMXJMYLF-ZYHUDNBSSA-N 2 0 315.230 2.718 20 0 DFADRP C[C@H]([NH2+]CC1(c2ccc(Cl)cc2)CCOCC1)[C@H]1CC[NH2+]C1 ZINC000422935800 296357745 /nfs/dbraw/zinc/35/77/45/296357745.db2.gz DTCODCCBVJOUDT-GJZGRUSLSA-N 2 0 322.880 2.976 20 0 DFADRP COc1ccc(OCCC[N@@H+]2CCC[C@H]3C[NH2+]CC[C@H]32)cc1 ZINC000631887300 399519435 /nfs/dbraw/zinc/51/94/35/399519435.db2.gz QDYPAQLGTYDTNW-MAUKXSAKSA-N 2 0 304.434 2.538 20 0 DFADRP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]CCOc1ccc(C(F)(F)F)cc1 ZINC000422948445 296359678 /nfs/dbraw/zinc/35/96/78/296359678.db2.gz RIFXUAKHZNIHPB-FZMZJTMJSA-N 2 0 302.340 2.801 20 0 DFADRP C[C@H](CCCC[NH3+])[NH2+][C@@H]1CCN(c2ccccc2Cl)C1=O ZINC000422956064 296360710 /nfs/dbraw/zinc/36/07/10/296360710.db2.gz KKGIYUAJIKVHMO-TZMCWYRMSA-N 2 0 309.841 2.552 20 0 DFADRP C[C@@H](CCCC[NH3+])Nc1ccc(N2CCC([NH+](C)C)CC2)cn1 ZINC000422955263 296360769 /nfs/dbraw/zinc/36/07/69/296360769.db2.gz LJHUZUAKAWCRQD-HNNXBMFYSA-N 2 0 319.497 2.541 20 0 DFADRP C[C@@H](Nc1cccc(C[NH+]2CCSCC2)c1)[C@H]1CC[NH2+]C1 ZINC000422957655 296360942 /nfs/dbraw/zinc/36/09/42/296360942.db2.gz USUJLBKAXLEJLN-ZBFHGGJFSA-N 2 0 305.491 2.645 20 0 DFADRP CC[C@H](C)C(=O)Nc1cccc(C[NH2+][C@@H]2CCC[C@@H]2C[NH3+])c1 ZINC000422951598 296360107 /nfs/dbraw/zinc/36/01/07/296360107.db2.gz ZFMNTCDOHQPPSN-YSVLISHTSA-N 2 0 303.450 2.888 20 0 DFADRP C[C@@H]1CC[NH2+]C[C@@H]1Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000422953809 296360264 /nfs/dbraw/zinc/36/02/64/296360264.db2.gz GNEZFOLPXPYBLM-PBHICJAKSA-N 2 0 305.491 2.645 20 0 DFADRP Cc1nccn1C[C@H](C)C[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1 ZINC000422953336 296360319 /nfs/dbraw/zinc/36/03/19/296360319.db2.gz FHJLFCLLXNCMRV-LAVFITLUSA-N 2 0 304.482 2.728 20 0 DFADRP CCC(C)(C)[NH2+][C@@H](C)C(=O)NCCCC[N@@H+]1CCCC[C@H]1C ZINC000347518640 285070151 /nfs/dbraw/zinc/07/01/51/285070151.db2.gz IRWYKZXVTUKQFA-CVEARBPZSA-N 2 0 311.514 2.924 20 0 DFADRP [NH3+]CC1CCC([NH2+]C[C@H](c2ccco2)N2CCCCC2)CC1 ZINC000422962876 296361532 /nfs/dbraw/zinc/36/15/32/296361532.db2.gz GXKVZOIUWISIHS-OFLPRAFFSA-N 2 0 305.466 2.914 20 0 DFADRP CC[C@H](NC[C@@H](c1ccco1)[NH+]1CCCC1)[C@H]1CCCC[NH2+]1 ZINC000422963597 296361731 /nfs/dbraw/zinc/36/17/31/296361731.db2.gz IZMWNRQTOJQGOM-BBWFWOEESA-N 2 0 305.466 2.927 20 0 DFADRP C[C@H](CCCC[NH3+])[NH2+]Cc1ccc(COC2CCOCC2)cc1 ZINC000422966249 296362141 /nfs/dbraw/zinc/36/21/41/296362141.db2.gz NDQLWLSNXHFFCT-MRXNPFEDSA-N 2 0 320.477 2.989 20 0 DFADRP C[C@@H](CCCC[NH3+])[NH2+]CCNc1cccc(Br)c1 ZINC000422969272 296362754 /nfs/dbraw/zinc/36/27/54/296362754.db2.gz ZKVMXWOQQZLOHD-LBPRGKRZSA-N 2 0 314.271 2.968 20 0 DFADRP C[C@@H](NC[C@H](c1ccco1)[NH+]1CCCCC1)[C@@H]1CCCC[NH2+]1 ZINC000422967922 296362786 /nfs/dbraw/zinc/36/27/86/296362786.db2.gz UZJBNXFMYNYWBK-IXDOHACOSA-N 2 0 305.466 2.927 20 0 DFADRP CC(C)[N@H+](C)CCCN[C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422969294 296362802 /nfs/dbraw/zinc/36/28/02/296362802.db2.gz ZOLSICKVHBKRRQ-MJGOQNOKSA-N 2 0 317.477 2.562 20 0 DFADRP CC1CCC(C[N@@H+]2CCN(C3CC[NH+](C)CC3)[C@H](C)C2)CC1 ZINC000347542526 285075184 /nfs/dbraw/zinc/07/51/84/285075184.db2.gz PHOZFODUDONVFL-LXPRWKDFSA-N 2 0 307.526 2.913 20 0 DFADRP Cc1nn(-c2ccccc2)cc1CCC[NH2+][C@H]1CCC[C@H]1C[NH3+] ZINC000422966370 296362255 /nfs/dbraw/zinc/36/22/55/296362255.db2.gz RETBRRYXPKTELM-LPHOPBHVSA-N 2 0 312.461 2.830 20 0 DFADRP C[C@H](CCC[NH3+])[NH2+]C[C@H](CO)Cc1ccccc1C(F)(F)F ZINC000422986656 296364362 /nfs/dbraw/zinc/36/43/62/296364362.db2.gz DBTRQPWOPADDDS-CHWSQXEVSA-N 2 0 318.383 2.573 20 0 DFADRP c1ccc(COc2cc(C[NH2+][C@@H]3CCC[NH2+]CC3)ccn2)cc1 ZINC000422976611 296363393 /nfs/dbraw/zinc/36/33/93/296363393.db2.gz VLASJKZVZJARSW-GOSISDBHSA-N 2 0 311.429 2.892 20 0 DFADRP C[C@H]([NH3+])C[C@H](C)[NH2+]Cc1ccc(N2CCc3ccccc3C2)nc1 ZINC000422972532 296363409 /nfs/dbraw/zinc/36/34/09/296363409.db2.gz MAGGYMYDLROHIZ-HOTGVXAUSA-N 2 0 324.472 2.860 20 0 DFADRP OC[C@@H]([NH2+][C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)c1ccccc1 ZINC000422982900 296363914 /nfs/dbraw/zinc/36/39/14/296363914.db2.gz YATUESMTNUXLBW-QWFCFKBJSA-N 2 0 324.424 2.566 20 0 DFADRP OC[C@@H]([NH2+][C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)c1ccccc1 ZINC000422982897 296363960 /nfs/dbraw/zinc/36/39/60/296363960.db2.gz YATUESMTNUXLBW-GGPKGHCWSA-N 2 0 324.424 2.566 20 0 DFADRP CC(C)(CCCO)C[NH2+][C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422993637 296365042 /nfs/dbraw/zinc/36/50/42/296365042.db2.gz RWHWGJJVIKWTPN-LPHOPBHVSA-N 2 0 318.461 2.631 20 0 DFADRP CC(C)(C)C[C@H](CO)[NH2+][C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422997385 296365112 /nfs/dbraw/zinc/36/51/12/296365112.db2.gz OAHBSATXWPLFHF-OGWOLHLISA-N 2 0 318.461 2.629 20 0 DFADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]CCOc1ccc(C(F)(F)F)cn1 ZINC000422989395 296364517 /nfs/dbraw/zinc/36/45/17/296364517.db2.gz LKJCMEXLEZSQJQ-AAEUAGOBSA-N 2 0 317.355 2.586 20 0 DFADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+][C@H](CCO)C1CCCCC1 ZINC000422990087 296364635 /nfs/dbraw/zinc/36/46/35/296364635.db2.gz BMLKPEZSLQPZKW-KBXCAEBGSA-N 2 0 305.466 2.831 20 0 DFADRP Oc1ccc(CC[NH2+][C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)cc1 ZINC000422988829 296364724 /nfs/dbraw/zinc/36/47/24/296364724.db2.gz LJOOCHXBKZSKBH-UYAOXDASSA-N 2 0 324.424 2.780 20 0 DFADRP C[C@H]([NH3+])[C@@H](Cc1ccccc1)NC1CC[NH+](C(C)(C)C)CC1 ZINC000422991951 296365031 /nfs/dbraw/zinc/36/50/31/296365031.db2.gz PEYYHXKPFVAQJM-MAUKXSAKSA-N 2 0 303.494 2.797 20 0 DFADRP COc1cccc(COCC[NH2+][C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)c1 ZINC000423002819 296365947 /nfs/dbraw/zinc/36/59/47/296365947.db2.gz JXTNMBLYMKOZPK-GUDVDZBRSA-N 2 0 318.461 2.722 20 0 DFADRP CCOc1cc(Cl)ccc1C[NH2+][C@H](CCC[NH3+])COC ZINC000423004438 296366236 /nfs/dbraw/zinc/36/62/36/296366236.db2.gz OYMAGRYCRHYUTJ-CQSZACIVSA-N 2 0 300.830 2.582 20 0 DFADRP C[C@@H]1C[C@H](CC[NH2+]C2CC[NH2+]CC2)C[N@@H+]1Cc1ccccc1 ZINC000422997475 296365292 /nfs/dbraw/zinc/36/52/92/296365292.db2.gz BJKNLJGIQWORTJ-AEFFLSMTSA-N 3 0 301.478 2.629 20 0 DFADRP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]CCOc1ncccc1C(F)(F)F ZINC000422999208 296365428 /nfs/dbraw/zinc/36/54/28/296365428.db2.gz SCERGADLNOYYRE-WCQYABFASA-N 2 0 317.355 2.586 20 0 DFADRP COc1ccc(OC)c(CCC[NH2+][C@@H]2CC[NH2+]CC[C@@H]2C)c1 ZINC000423009040 296367186 /nfs/dbraw/zinc/36/71/86/296367186.db2.gz BSHUKZSFPZHVQJ-WMLDXEAASA-N 2 0 306.450 2.614 20 0 DFADRP Cc1cn2c(n1)[C@H](C[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1)CCC2 ZINC000423006141 296366461 /nfs/dbraw/zinc/36/64/61/296366461.db2.gz OGAYEJHMJREWMR-BSDSXHPESA-N 2 0 316.493 2.969 20 0 DFADRP Cc1cn2c(n1)[C@H](C[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1)CCC2 ZINC000423006143 296366691 /nfs/dbraw/zinc/36/66/91/296366691.db2.gz OGAYEJHMJREWMR-XLAORIBOSA-N 2 0 316.493 2.969 20 0 DFADRP c1ccc2c(c1)CC(CC[NH2+][C@@H]1CCOC[C@@H]1[C@@H]1CCC[NH2+]1)C2 ZINC000423013845 296367688 /nfs/dbraw/zinc/36/76/88/296367688.db2.gz NMQXUMXNVUPLMZ-HSALFYBXSA-N 2 0 314.473 2.538 20 0 DFADRP [NH3+]CC1CCC([NH2+][C@@H]2CCCN(c3ccccc3F)C2)CC1 ZINC000423016282 296368196 /nfs/dbraw/zinc/36/81/96/296368196.db2.gz SPIYOSHFZWVVTA-UYSNPLJNSA-N 2 0 305.441 2.902 20 0 DFADRP C[C@H]([NH3+])C[C@H](C)[NH2+][C@H]1CCN(C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000423012401 296367476 /nfs/dbraw/zinc/36/74/76/296367476.db2.gz KRFNQVNIJBWSFP-GREKMHCPSA-N 2 0 313.848 2.940 20 0 DFADRP C[N@@H+]1CC[C@H]([NH2+]C[C@@H]2Cc3ccccc3CO2)[C@@H]2CCC[C@@H]21 ZINC000624055694 399538185 /nfs/dbraw/zinc/53/81/85/399538185.db2.gz MRABSRFVGYJZKO-VJANTYMQSA-N 2 0 300.446 2.590 20 0 DFADRP C[C@H](CCCC[NH3+])[NH2+]C[C@@H](C)c1nc(-c2ccccc2)no1 ZINC000423014671 296367605 /nfs/dbraw/zinc/36/76/05/296367605.db2.gz PLXGFIJEYVEARU-ZIAGYGMSSA-N 2 0 302.422 2.947 20 0 DFADRP CC1(C[NH2+][C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)CCOCC1 ZINC000423024361 296369080 /nfs/dbraw/zinc/36/90/80/296369080.db2.gz LPAPTFXXJMMMEB-LPHOPBHVSA-N 2 0 316.445 2.649 20 0 DFADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]C[C@H](O)CCc1ccccc1 ZINC000423026456 296369350 /nfs/dbraw/zinc/36/93/50/296369350.db2.gz BGJODNKKMJOZTI-NZSAHSFTSA-N 2 0 304.478 2.881 20 0 DFADRP CC1(C[NH2+][C@@H]2CCOC[C@@H]2[C@H]2CCC[NH2+]2)Cc2ccccc2C1 ZINC000423017870 296368499 /nfs/dbraw/zinc/36/84/99/296368499.db2.gz PRJMLAFKRYUCHX-GUDVDZBRSA-N 2 0 314.473 2.538 20 0 DFADRP CC[C@H](CSC)[NH2+][C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423019171 296368580 /nfs/dbraw/zinc/36/85/80/296368580.db2.gz UICKGAAAITZEDN-FRFSOERESA-N 2 0 306.475 2.974 20 0 DFADRP C[C@@H](CCCC[NH3+])[NH2+][C@@H](c1ccn(C)n1)c1ccc(F)cc1 ZINC000423020322 296368641 /nfs/dbraw/zinc/36/86/41/296368641.db2.gz ZXYAMVAQEBCONG-SUMWQHHRSA-N 2 0 304.413 2.756 20 0 DFADRP C[C@H]([NH2+][C@@H]1CCO[C@H]1c1ccc(Cl)c(F)c1)[C@@H]1CC[NH2+]C1 ZINC000423019449 296368650 /nfs/dbraw/zinc/36/86/50/296368650.db2.gz VRBLYJBDJOGLFZ-XOPPTJLZSA-N 2 0 312.816 2.897 20 0 DFADRP COc1ccc(C[C@H](C)C[NH2+][C@@H]2CCC[C@@H]2C[NH3+])cc1OC ZINC000423020925 296368977 /nfs/dbraw/zinc/36/89/77/296368977.db2.gz DEPBQCMJKDGRPK-NUEKZKHPSA-N 2 0 306.450 2.599 20 0 DFADRP COCCC(C)(C)C[NH2+][C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423035357 296370123 /nfs/dbraw/zinc/37/01/23/296370123.db2.gz JFXDCAAOJUQTJD-QFBILLFUSA-N 2 0 318.461 2.895 20 0 DFADRP CC[N@H+](Cc1ccc(C(=O)N[C@H]2CCC[C@@H]2C[NH3+])cc1)C(C)C ZINC000157806870 285098555 /nfs/dbraw/zinc/09/85/55/285098555.db2.gz UGVAZIQJWMDREC-MSOLQXFVSA-N 2 0 317.477 2.774 20 0 DFADRP CCC(CC)(C[NH2+][C@@H](Cc1ccccc1)[C@@H](C)[NH3+])C(=O)OC ZINC000423036036 296370337 /nfs/dbraw/zinc/37/03/37/296370337.db2.gz KOKTUYYGWWRUGT-ZBFHGGJFSA-N 2 0 306.450 2.514 20 0 DFADRP Fc1ccc([C@@H]2C[C@H]([NH2+]C3C[C@H]4CC[C@@H](C3)[NH2+]4)CCO2)cc1 ZINC000423033789 296370372 /nfs/dbraw/zinc/37/03/72/296370372.db2.gz GYBDAXBBFZDBCF-JILJLDPQSA-N 2 0 304.409 2.918 20 0 DFADRP C[C@@H](CCC[NH3+])[NH2+]CCCc1nc(-c2ccc(F)cc2)no1 ZINC000423028804 296369681 /nfs/dbraw/zinc/36/96/81/296369681.db2.gz HEKVTYRLXYJSCH-LBPRGKRZSA-N 2 0 306.385 2.525 20 0 DFADRP Cc1cc(C[NH2+][C@@H]2CCOC[C@@H]2[C@H]2CCC[NH2+]2)ccc1Cl ZINC000423031425 296369836 /nfs/dbraw/zinc/36/98/36/296369836.db2.gz DHIDJWPXMOSAKE-DJIMGWMZSA-N 2 0 308.853 2.895 20 0 DFADRP Cc1cc(C[NH2+][C@@H]2CCOC[C@@H]2[C@@H]2CCC[NH2+]2)ccc1Cl ZINC000423031426 296369935 /nfs/dbraw/zinc/36/99/35/296369935.db2.gz DHIDJWPXMOSAKE-HYVNUMGLSA-N 2 0 308.853 2.895 20 0 DFADRP C[C@@H]([NH2+]CCOCc1ccc(Cl)cc1Cl)C1C[NH2+]C1 ZINC000423030565 296369948 /nfs/dbraw/zinc/36/99/48/296369948.db2.gz TWYOXOUHMDFYTH-SNVBAGLBSA-N 2 0 303.233 2.708 20 0 DFADRP CS[C@H](C[NH2+][C@@H]1CCOC[C@@H]1[C@@H]1CCC[NH2+]1)C(C)(C)C ZINC000423031988 296370011 /nfs/dbraw/zinc/37/00/11/296370011.db2.gz LYWUFUDZGWWWMY-LXTVHRRPSA-N 2 0 300.512 2.511 20 0 DFADRP C[C@@H](NC1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000423039962 296371080 /nfs/dbraw/zinc/37/10/80/296371080.db2.gz GJBZGGMXINKSCJ-MZSJESITSA-N 2 0 313.489 2.770 20 0 DFADRP COc1cccc([C@@H]2[C@H]([NH2+][C@H](C)C[C@H](C)[NH3+])CCN2C2CC2)c1 ZINC000423041747 296371125 /nfs/dbraw/zinc/37/11/25/296371125.db2.gz JQCLQIJPMMINDS-WTVLQJKYSA-N 2 0 317.477 2.688 20 0 DFADRP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]C[C@@H](O)CCc1ccccc1 ZINC000423039036 296370653 /nfs/dbraw/zinc/37/06/53/296370653.db2.gz ZXPPSIIZRODCIC-FFZOFVMBSA-N 2 0 312.457 2.528 20 0 DFADRP CCC[N@H+](C)CC(C)(C)NC(=O)C1(C[NH+](C)C)CCCCC1 ZINC000620622580 399544789 /nfs/dbraw/zinc/54/47/89/399544789.db2.gz XCODFCMMGYARES-UHFFFAOYSA-N 2 0 311.514 2.735 20 0 DFADRP COC[C@@H](CC1CCOCC1)[NH2+]C[C@H]1CCN1C1CCCCC1 ZINC000624077926 399544861 /nfs/dbraw/zinc/54/48/61/399544861.db2.gz HWPYHBMLCXOXCU-IEBWSBKVSA-N 2 0 324.509 2.815 20 0 DFADRP [NH3+][C@H]1CCCCC[C@@H]1[NH2+]CCCOCCOCc1ccccc1 ZINC000423046734 296371699 /nfs/dbraw/zinc/37/16/99/296371699.db2.gz ULYCZJGHUTYSDR-OALUTQOASA-N 2 0 320.477 2.860 20 0 DFADRP C[C@H]([NH2+][C@@H]1C[C@H](OCc2ccccc2)C1(C)C)[C@H]1CC[NH2+]C1 ZINC000423053376 296372358 /nfs/dbraw/zinc/37/23/58/296372358.db2.gz RUMLZZJADGGSJW-OWLYRPNTSA-N 2 0 302.462 2.958 20 0 DFADRP C[C@@H](CCCC[NH3+])[NH2+][C@@H](c1cnn(C)c1)c1ccc(F)cc1 ZINC000423057726 296373335 /nfs/dbraw/zinc/37/33/35/296373335.db2.gz ZUIGLKSOBGDCEP-SUMWQHHRSA-N 2 0 304.413 2.756 20 0 DFADRP C[C@@H](NC[C@@H](C1CC1)[N@H+](C)Cc1ccccc1)[C@@H]1CCC[NH2+]1 ZINC000423059360 296373359 /nfs/dbraw/zinc/37/33/59/296373359.db2.gz FKIDQLCDZVIJQG-MNEFBYGVSA-N 2 0 301.478 2.627 20 0 DFADRP C[C@@H]1CC[NH2+]C[C@H]1NC[C@@]1(C)CCC[N@@H+]1Cc1ccccc1 ZINC000423064870 296374333 /nfs/dbraw/zinc/37/43/33/296374333.db2.gz SHMVDDHGECCJTF-BHIYHBOVSA-N 2 0 301.478 2.629 20 0 DFADRP CC(C)n1ncc2c1C[C@H]([NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1)CC2 ZINC000423069553 296374382 /nfs/dbraw/zinc/37/43/82/296374382.db2.gz DUYKKBRBNXUMQE-ZJPYXAASSA-N 2 0 316.493 2.832 20 0 DFADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]C[C@@](C)(O)C1CCCCC1 ZINC000423069054 296374427 /nfs/dbraw/zinc/37/44/27/296374427.db2.gz CYCLVMRPXVGFOU-SCLBCKFNSA-N 2 0 305.466 2.831 20 0 DFADRP O[C@@H]1CCC[C@@]1(C[NH2+][C@@H]1CCC[NH2+]CC1)Cc1ccc(F)cc1 ZINC000423072438 296375058 /nfs/dbraw/zinc/37/50/58/296375058.db2.gz HJEDLIOXXZWVDP-QRVBRYPASA-N 2 0 320.452 2.631 20 0 DFADRP CO[C@H](CC[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1)C(F)(F)F ZINC000423073659 296375204 /nfs/dbraw/zinc/37/52/04/296375204.db2.gz ROZYIHWYBUWCLL-XJFOESAGSA-N 2 0 308.388 2.854 20 0 DFADRP CC(C)(C)[NH+]1CCC([NH2+]C[C@@H]2CCCN2CC(F)F)CC1 ZINC000624095413 399551542 /nfs/dbraw/zinc/55/15/42/399551542.db2.gz CILJPGMXWSFTQQ-AWEZNQCLSA-N 2 0 303.441 2.568 20 0 DFADRP C[C@H]([NH3+])[C@@H](Cc1ccccc1)NC[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000423080609 296376171 /nfs/dbraw/zinc/37/61/71/296376171.db2.gz ZOUQEFWXPLGXJM-ZYSHUDEJSA-N 2 0 301.478 2.551 20 0 DFADRP CC(C)[C@H]([NH2+][C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)C(C)(C)O ZINC000423078244 296375579 /nfs/dbraw/zinc/37/55/79/296375579.db2.gz NYGVLXBRVQVICD-HHXXYDBFSA-N 2 0 318.461 2.627 20 0 DFADRP Cc1ccccc1[C@@H](C)[NH2+]Cc1ccnc(N2CC[NH+](C)CC2)c1 ZINC000158999111 197318281 /nfs/dbraw/zinc/31/82/81/197318281.db2.gz NSZQLMCGVPPFLK-QGZVFWFLSA-N 2 0 324.472 2.993 20 0 DFADRP C[C@H](CCn1cccn1)[NH2+]CC1CCN(c2cc[nH+]cc2)CC1 ZINC000158998916 197318315 /nfs/dbraw/zinc/31/83/15/197318315.db2.gz SFAQGTBWMPICHQ-MRXNPFEDSA-N 2 0 313.449 2.563 20 0 DFADRP CC[NH+](CC)[C@H](C)CN[C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423086671 296376718 /nfs/dbraw/zinc/37/67/18/296376718.db2.gz NRHKPEJDSIETJK-AYBZRNKSSA-N 2 0 317.477 2.562 20 0 DFADRP [NH3+]C1CCC([NH2+]C2CC(N3CCC(C(F)(F)F)CC3)C2)CC1 ZINC000423091230 296376946 /nfs/dbraw/zinc/37/69/46/296376946.db2.gz ZMIKKLQOHOQFNN-UHFFFAOYSA-N 2 0 319.415 2.651 20 0 DFADRP c1ccc2c(c1)O[C@]1(CC[NH2+]C1)C[C@@H]2[NH2+]C[C@@H]1CCSC1 ZINC000423090915 296377048 /nfs/dbraw/zinc/37/70/48/296377048.db2.gz YXSBMGXJZWDXNU-JLJPHGGASA-N 2 0 304.459 2.585 20 0 DFADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]CCN1CCCC(C)(C)C1 ZINC000423089997 296377123 /nfs/dbraw/zinc/37/71/23/296377123.db2.gz ULNLGGHADSAXKO-CQSZACIVSA-N 2 0 304.482 2.621 20 0 DFADRP CC[C@@H]([NH2+]C1CCN(c2nccs2)CC1)[C@@H]1CCCC[NH2+]1 ZINC000423095308 296377561 /nfs/dbraw/zinc/37/75/61/296377561.db2.gz DQNMKLCPLOPAEZ-CABCVRRESA-N 2 0 308.495 2.622 20 0 DFADRP Fc1ccccc1[C@H]1C[C@H]([NH2+][C@@H]2CCOC[C@H]2[C@H]2CCC[NH2+]2)C1 ZINC000423100680 296378331 /nfs/dbraw/zinc/37/83/31/296378331.db2.gz VLHYYPNNUQOAHP-LVGQOLGVSA-N 2 0 318.436 2.818 20 0 DFADRP Fc1ccccc1[C@H]1C[C@H]([NH2+][C@@H]2CCOC[C@H]2[C@@H]2CCC[NH2+]2)C1 ZINC000423100681 296378337 /nfs/dbraw/zinc/37/83/37/296378337.db2.gz VLHYYPNNUQOAHP-NZMUHZMNSA-N 2 0 318.436 2.818 20 0 DFADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]C[C@@H](CO)CC1CCCC1 ZINC000423099798 296378342 /nfs/dbraw/zinc/37/83/42/296378342.db2.gz MLZPFIHVOHOVIH-BBRMVZONSA-N 2 0 305.466 2.688 20 0 DFADRP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]C[C@H](CO)CC1CCCC1 ZINC000423101008 296378391 /nfs/dbraw/zinc/37/83/91/296378391.db2.gz NIGVTPHXKPGHLA-IPELMVKDSA-N 2 0 304.478 2.723 20 0 DFADRP CCS(=O)(=O)c1ccc([C@H](C)[NH2+]C2CCC(C[NH3+])CC2)cc1 ZINC000423109022 296379203 /nfs/dbraw/zinc/37/92/03/296379203.db2.gz SCTGKFDJGNWORH-HLIUYOAVSA-N 2 0 324.490 2.648 20 0 DFADRP C[C@@H](CCCC[NH3+])[NH2+][C@H](Cn1ccccc1=O)c1ccccc1 ZINC000423107813 296378868 /nfs/dbraw/zinc/37/88/68/296378868.db2.gz FGRDLQHVOPYUEQ-FUHWJXTLSA-N 2 0 313.445 2.697 20 0 DFADRP C[C@H](C[C@H](C)[NH3+])[NH2+][C@H]1CCOc2c(Br)cccc21 ZINC000423105852 296378897 /nfs/dbraw/zinc/37/88/97/296378897.db2.gz CODDWSYIWUQACD-CWSCBRNRSA-N 2 0 313.239 2.988 20 0 DFADRP C[N@@H+]1CCCC[C@@H](CN[C@@H](c2ncc[nH]2)c2ccc(F)cc2)C1 ZINC000624122949 399559883 /nfs/dbraw/zinc/55/98/83/399559883.db2.gz BNFPGPPSJSNZQU-WMLDXEAASA-N 2 0 316.424 2.960 20 0 DFADRP OC[C@H]1CCC[N@@H+]1CCCC[NH2+]Cc1ccc2occc2c1 ZINC000286475653 219010051 /nfs/dbraw/zinc/01/00/51/219010051.db2.gz LDAKOLJZCSOSSK-QGZVFWFLSA-N 2 0 302.418 2.759 20 0 DFADRP CC1(C)SC[C@@H]1[NH2+][C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423113966 296379990 /nfs/dbraw/zinc/37/99/90/296379990.db2.gz ZLUNVQIFUYMFAG-QRTARXTBSA-N 2 0 304.459 2.726 20 0 DFADRP CC[NH+](CC)C[C@@H]1CCN(CCC(=O)c2ccc(OC)cc2)C1 ZINC000286504109 219024819 /nfs/dbraw/zinc/02/48/19/219024819.db2.gz RJGYREGEVQTXRJ-INIZCTEOSA-N 2 0 318.461 2.932 20 0 DFADRP COCC1(C[NH2+][C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)CCC1 ZINC000423116451 296380478 /nfs/dbraw/zinc/38/04/78/296380478.db2.gz PWLCBZURJIKYMC-QFBILLFUSA-N 2 0 316.445 2.649 20 0 DFADRP C[C@@H]1CC[NH2+]C[C@@H]1NC[C@@H](Cc1ccccc1)C(F)(F)F ZINC000423121145 296380648 /nfs/dbraw/zinc/38/06/48/296380648.db2.gz HYWUFHSYMDTXAT-YUELXQCFSA-N 2 0 300.368 2.995 20 0 DFADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]C[C@@H](CO)C1CCCCC1 ZINC000423131006 296382331 /nfs/dbraw/zinc/38/23/31/296382331.db2.gz HNDLQMABZSBUGB-BBRMVZONSA-N 2 0 305.466 2.688 20 0 DFADRP OC[C@H](C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1)c1ccccc1Cl ZINC000423126742 296381902 /nfs/dbraw/zinc/38/19/02/296381902.db2.gz ORHURUGWZCQTPC-UNQWWWNPSA-N 2 0 322.880 2.926 20 0 DFADRP CCc1ccc([C@@H](CN[C@@H](C)C2C[NH2+]C2)[NH+](CC)CC)cc1 ZINC000423127194 296381927 /nfs/dbraw/zinc/38/19/27/296381927.db2.gz JQPAONCUHCSHNY-HNAYVOBHSA-N 2 0 303.494 2.829 20 0 DFADRP c1ccc2c(c1)O[C@]1(CC[NH2+]C1)C[C@H]2[NH2+]C[C@H]1CCCSC1 ZINC000423135964 296382882 /nfs/dbraw/zinc/38/28/82/296382882.db2.gz YLSIHAJRXBVCQN-QGPMSJSTSA-N 2 0 318.486 2.975 20 0 DFADRP CC(C)Cc1ccc([C@H](CN[C@@H]2CCC[C@@H]2[NH3+])[NH+](C)C)cc1 ZINC000423136788 296383009 /nfs/dbraw/zinc/38/30/09/296383009.db2.gz ZLILBXDAUICZMH-OTWHNJEPSA-N 2 0 303.494 2.957 20 0 DFADRP C[C@H]([NH3+])C[C@H](C)[NH2+][C@@H]1CCCN([C@@H](C)c2ccc(F)cc2)C1=O ZINC000423137252 296383042 /nfs/dbraw/zinc/38/30/42/296383042.db2.gz QJYDMRXPJOHHGI-AYMQEEERSA-N 2 0 321.440 2.593 20 0 DFADRP CCOc1ccc(OCC[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)cc1 ZINC000158541301 197282199 /nfs/dbraw/zinc/28/21/99/197282199.db2.gz NNVNLOFZJCVVNO-APWZRJJASA-N 2 0 318.461 2.880 20 0 DFADRP Cc1cc(CC[NH2+][C@@H]2CCOC[C@H]2[C@H]2CCC[NH2+]2)ccc1Cl ZINC000423141100 296383857 /nfs/dbraw/zinc/38/38/57/296383857.db2.gz NXYSYCIRQYILRT-CGTJXYLNSA-N 2 0 322.880 2.938 20 0 DFADRP C[C@@H]([NH2+][C@H](C)[C@@H]1CC[NH2+]C1)c1ccc(-n2cccn2)c(F)c1 ZINC000423140523 296383864 /nfs/dbraw/zinc/38/38/64/296383864.db2.gz YVLQQTOLNQRHKS-UMVBOHGHSA-N 2 0 302.397 2.660 20 0 DFADRP C[C@H]1CC[NH2+]CC[C@H]1[NH2+]CCc1cc(C(F)(F)F)ccn1 ZINC000423140529 296383921 /nfs/dbraw/zinc/38/39/21/296383921.db2.gz YVSJEXDRRSEFJC-SMDDNHRTSA-N 2 0 301.356 2.621 20 0 DFADRP CC[NH+]1CCC([NH2+]CCc2nc(-c3ccncc3)cs2)CC1 ZINC000271658822 209102950 /nfs/dbraw/zinc/10/29/50/209102950.db2.gz CYSVHUXRDGFTKD-UHFFFAOYSA-N 2 0 316.474 2.822 20 0 DFADRP Fc1cccc2c1CCC[C@@H]2[NH2+][C@@H]1CCOC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000423144433 296384135 /nfs/dbraw/zinc/38/41/35/296384135.db2.gz GVOOZGJFAINFMZ-OQIJWPOYSA-N 2 0 318.436 2.950 20 0 DFADRP C[C@H]([NH2+][C@H]1C[C@H](c2ccc(Br)cc2)C1)C1C[NH2+]C1 ZINC000423139788 296383420 /nfs/dbraw/zinc/38/34/20/296383420.db2.gz LGVFUSOQZPQAKV-WBIUFABUSA-N 2 0 309.251 2.893 20 0 DFADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]C[C@@H](O)Cc1cccc(F)c1 ZINC000423142416 296384315 /nfs/dbraw/zinc/38/43/15/296384315.db2.gz AKIZMVHXDSUQGL-JLSDUUJJSA-N 2 0 308.441 2.630 20 0 DFADRP CSc1ccc([C@H](CN[C@H]2C[NH2+]CC[C@H]2C)[NH+](C)C)cc1 ZINC000423143381 296384458 /nfs/dbraw/zinc/38/44/58/296384458.db2.gz CVNPGPWBTBXSIS-COXVUDFISA-N 2 0 307.507 2.599 20 0 DFADRP C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)CC2(C[NH3+])CCCCC2)C1 ZINC000184228523 296384694 /nfs/dbraw/zinc/38/46/94/296384694.db2.gz UZHNTXLMAYEALJ-MRXNPFEDSA-N 2 0 323.525 2.912 20 0 DFADRP CSc1ccc([C@@H](CNC2C[C@H]3CC[C@@H](C2)[NH2+]3)[NH+](C)C)cc1 ZINC000423148587 296385054 /nfs/dbraw/zinc/38/50/54/296385054.db2.gz WBGDGHNJVBYFBV-IXEWLPCDSA-N 2 0 319.518 2.884 20 0 DFADRP COCC[C@H]([NH2+][C@H](C)C1C[NH2+]C1)c1cccc(C(F)(F)F)c1 ZINC000423158088 296386207 /nfs/dbraw/zinc/38/62/07/296386207.db2.gz WFBQEJSACKKVHQ-ABAIWWIYSA-N 2 0 316.367 2.981 20 0 DFADRP COc1ncc(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)cc1Cl ZINC000423153165 296385717 /nfs/dbraw/zinc/38/57/17/296385717.db2.gz GGTDPFVHOYXCEG-AEGPPILISA-N 2 0 309.841 2.754 20 0 DFADRP CC(C)(C)[N@@H+]1CC[C@@H]1CNC(=O)[C@@H]1CCCC[NH+]1C1CCCC1 ZINC000617009086 399569602 /nfs/dbraw/zinc/56/96/02/399569602.db2.gz RXLIVBNIKCZMFY-SJORKVTESA-N 2 0 321.509 2.773 20 0 DFADRP CCOC(=O)C1([C@H](C)[NH2+]C2(C3CCC3)CCC2)CC[NH2+]CC1 ZINC000423168390 296387288 /nfs/dbraw/zinc/38/72/88/296387288.db2.gz HDEKHCSGANFTRT-AWEZNQCLSA-N 2 0 308.466 2.620 20 0 DFADRP c1csc([C@@H]([NH2+]CCCN2CC[NH2+]CC2)C2CCCC2)c1 ZINC000423175896 296388215 /nfs/dbraw/zinc/38/82/15/296388215.db2.gz FNAAKDBMJBVTQG-KRWDZBQOSA-N 2 0 307.507 2.864 20 0 DFADRP CC(C)O[C@H]1C[C@@H]([NH2+][C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)C1 ZINC000423165429 296387450 /nfs/dbraw/zinc/38/74/50/296387450.db2.gz PZUNVBXIZKVWFU-HIRMHNASSA-N 2 0 316.445 2.788 20 0 DFADRP CC(C)O[C@H]1C[C@@H]([NH2+][C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)C1 ZINC000423165428 296387487 /nfs/dbraw/zinc/38/74/87/296387487.db2.gz PZUNVBXIZKVWFU-GFIVTLFCSA-N 2 0 316.445 2.788 20 0 DFADRP COCC[C@H](C)C[NH2+][C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423172863 296387654 /nfs/dbraw/zinc/38/76/54/296387654.db2.gz VSFCNHIBZLVTPU-ZVZYQTTQSA-N 2 0 304.434 2.505 20 0 DFADRP CC1(C)CCC[N@@H+]1CCN[C@H]1CC[NH2+][C@@H](c2ccccc2)C1 ZINC000423169243 296387745 /nfs/dbraw/zinc/38/77/45/296387745.db2.gz VVIUBXAQFPMPKR-ZWKOTPCHSA-N 2 0 301.478 2.944 20 0 DFADRP CCC(=O)CCC[NH+]1CCC(C[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000347753706 285160055 /nfs/dbraw/zinc/16/00/55/285160055.db2.gz USPRBYCRSKFINJ-HOTGVXAUSA-N 2 0 310.482 2.567 20 0 DFADRP C[C@@H]([NH2+]CCCN1CC[NH2+]CC1)c1ccc(Cl)c(Cl)c1 ZINC000423175962 296388290 /nfs/dbraw/zinc/38/82/90/296388290.db2.gz FXGWBNWCCIVJRA-GFCCVEGCSA-N 2 0 316.276 2.939 20 0 DFADRP Cc1ccccc1[C@H](CC(C)C)[NH2+]CCCN1CC[NH2+]CC1 ZINC000423176361 296388450 /nfs/dbraw/zinc/38/84/50/296388450.db2.gz GYNOSWAXTLZEOD-IBGZPJMESA-N 2 0 303.494 2.967 20 0 DFADRP CC(C)Cc1ccc([C@@H](C)[NH2+]CCCN2CC[NH2+]CC2)cc1 ZINC000423176587 296388584 /nfs/dbraw/zinc/38/85/84/296388584.db2.gz HBXFLAMXDROPOV-QGZVFWFLSA-N 2 0 303.494 2.831 20 0 DFADRP C[C@@H]([NH2+]CCCN1CC[NH2+]CC1)c1cc2c(s1)CCCC2 ZINC000423177515 296388673 /nfs/dbraw/zinc/38/86/73/296388673.db2.gz IYYZRGIWGKPPEA-CQSZACIVSA-N 2 0 307.507 2.573 20 0 DFADRP CC[C@H]([NH2+]CCCN1CC[NH2+]CC1)c1cccc(Cl)c1F ZINC000423179151 296388828 /nfs/dbraw/zinc/38/88/28/296388828.db2.gz HFLMVVOGYRVQMW-HNNXBMFYSA-N 2 0 313.848 2.815 20 0 DFADRP [NH3+]CCC[NH2+][C@@H](c1ccc(Br)cc1F)C1CC1 ZINC000423189628 296389985 /nfs/dbraw/zinc/38/99/85/296389985.db2.gz MZLDBCONCLPGLJ-CYBMUJFWSA-N 2 0 301.203 2.978 20 0 DFADRP C[C@H]1C[C@H]([NH2+]CCCN2CC[NH2+]CC2)c2ccsc2S1 ZINC000423183936 296389693 /nfs/dbraw/zinc/38/96/93/296389693.db2.gz SNEMDYJXFUTBFN-JSGCOSHPSA-N 2 0 311.520 2.558 20 0 DFADRP CC[NH+](CC)Cc1ccc(C(=O)NC[C@@H]2CC[N@@H+]2C(C)(C)C)o1 ZINC000617014403 399575878 /nfs/dbraw/zinc/57/58/78/399575878.db2.gz ITMCKVYQNXLMHN-AWEZNQCLSA-N 2 0 321.465 2.724 20 0 DFADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@](C)(O)c2ccccc2Cl)[C@H](C)C1 ZINC000157603914 197200753 /nfs/dbraw/zinc/20/07/53/197200753.db2.gz ABAAWPQEFFGLFK-COXVUDFISA-N 2 0 310.869 2.867 20 0 DFADRP [NH3+]CCC[NH2+][C@H](c1ccc(Br)cc1F)C1CC1 ZINC000423189629 296390470 /nfs/dbraw/zinc/39/04/70/296390470.db2.gz MZLDBCONCLPGLJ-ZDUSSCGKSA-N 2 0 301.203 2.978 20 0 DFADRP Cc1ccc([C@@H]([NH2+]CCCN2CC[NH2+]CC2)C2CCC2)cc1 ZINC000423194382 296390727 /nfs/dbraw/zinc/39/07/27/296390727.db2.gz XXIZVIVGNSBORL-IBGZPJMESA-N 2 0 301.478 2.721 20 0 DFADRP COC[C@@H](CCC[NH3+])[NH2+]CC1(c2c(F)cccc2F)CCC1 ZINC000423192789 296390804 /nfs/dbraw/zinc/39/08/04/296390804.db2.gz UTEHFOABPXHAFO-CYBMUJFWSA-N 2 0 312.404 2.730 20 0 DFADRP C[C@H](NCC1([NH3+])CCCCC1)c1ccc(OCC[NH+](C)C)cc1 ZINC000423187576 296390117 /nfs/dbraw/zinc/39/01/17/296390117.db2.gz YGAZJNHPVUJOPH-INIZCTEOSA-N 2 0 319.493 2.939 20 0 DFADRP C[C@H](Cc1cn(C)c2ccc(F)cc12)[NH2+][C@@H](C)[C@H]1CC[NH2+]C1 ZINC000423196314 296391193 /nfs/dbraw/zinc/39/11/93/296391193.db2.gz ZIINASUCNQLJKF-RDBSUJKOSA-N 2 0 303.425 2.836 20 0 DFADRP C[C@@H]([NH2+]CCN1CC[NH2+]CC1)c1cc(Cl)sc1Cl ZINC000423202956 296392296 /nfs/dbraw/zinc/39/22/96/296392296.db2.gz LQGDILNSIBDBPF-SECBINFHSA-N 2 0 308.278 2.611 20 0 DFADRP COc1ccc(C[C@@H](C)[NH2+]C[C@@H]2CCC[NH2+]C2)c(C)c1OC ZINC000423206592 296392500 /nfs/dbraw/zinc/39/25/00/296392500.db2.gz GGCTVPZWZQQLFC-UKRRQHHQSA-N 2 0 306.450 2.532 20 0 DFADRP c1ccc2c(c1)sc1c2CCC[C@H]1[NH2+]CCN1CC[NH2+]CC1 ZINC000423200450 296392001 /nfs/dbraw/zinc/39/20/01/296392001.db2.gz FPXCKRIMMZUBQD-MRXNPFEDSA-N 2 0 315.486 2.774 20 0 DFADRP CCOC(=O)[C@@H]1CC[C@@H]([NH2+]C[C@@H]2CCC[NH2+]C2)c2ccccc21 ZINC000423216968 296393297 /nfs/dbraw/zinc/39/32/97/296393297.db2.gz STGHYHAUNOLJAD-ZTFGCOKTSA-N 2 0 316.445 2.757 20 0 DFADRP CC[C@@H]1[C@@H](C(=O)Nc2cc(C)cc(C[NH+](C)C)c2)CC[N@@H+]1C ZINC000632150477 399584344 /nfs/dbraw/zinc/58/43/44/399584344.db2.gz FKWOSWAAEQAFMO-DLBZAZTESA-N 2 0 303.450 2.725 20 0 DFADRP COc1cc(C)c(C[C@@H](C)[NH2+]C[C@H]2CCC[NH2+]C2)cc1OC ZINC000423215305 296393443 /nfs/dbraw/zinc/39/34/43/296393443.db2.gz QIFNAGJHMKWECH-CABCVRRESA-N 2 0 306.450 2.532 20 0 DFADRP COC(=O)c1cc(CN2CCC[C@@H]([NH+]3CCCC3)CC2)oc1C ZINC000157257217 197174007 /nfs/dbraw/zinc/17/40/07/197174007.db2.gz PUHQWKLJWUXGMH-OAHLLOKOSA-N 2 0 320.433 2.825 20 0 DFADRP O[C@H](Cc1ccccc1)C[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000157228176 197172003 /nfs/dbraw/zinc/17/20/03/197172003.db2.gz GQCVCSUSTNDUSR-RBUKOAKNSA-N 2 0 302.462 2.540 20 0 DFADRP C[C@@](O)(C[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1)c1ccccc1 ZINC000157216575 197170751 /nfs/dbraw/zinc/17/07/51/197170751.db2.gz AJDVLMPWAIUREP-RBUKOAKNSA-N 2 0 302.462 2.844 20 0 DFADRP C[C@@H]([NH3+])CC[NH2+][C@H](C)Cc1ccc(F)cc1Br ZINC000423227143 296394629 /nfs/dbraw/zinc/39/46/29/296394629.db2.gz UPUBYHAZWUMZDK-NXEZZACHSA-N 2 0 303.219 2.846 20 0 DFADRP CC(C)c1ccc([C@H]([NH3+])CN[C@@H]2C[N@@H+](C3CC3)C[C@@H]2C)cc1 ZINC000423238766 296395874 /nfs/dbraw/zinc/39/58/74/296395874.db2.gz JHKCIGJVCFAMEY-GDIGMMSISA-N 2 0 301.478 2.882 20 0 DFADRP C[C@@H]1C[C@@H](NC[C@@H]([NH3+])c2ccccc2)C[N@@H+]1Cc1ccccc1 ZINC000423235124 296395260 /nfs/dbraw/zinc/39/52/60/296395260.db2.gz GJLJCEYOUOJUAQ-NSISKUIASA-N 2 0 309.457 2.939 20 0 DFADRP c1c2c(nn1-c1ccccc1)CCC[C@H]2[NH2+]CC[C@H]1CC[NH2+]C1 ZINC000423247262 296396525 /nfs/dbraw/zinc/39/65/25/296396525.db2.gz KXXIDAHHHABTJW-CRAIPNDOSA-N 2 0 310.445 2.839 20 0 DFADRP C[C@H]([NH2+]CC[C@@H]1CC[NH2+]C1)c1nc2ccc(Cl)cc2n1C ZINC000423247714 296396791 /nfs/dbraw/zinc/39/67/91/296396791.db2.gz LPMCHYAOCQWGMT-RYUDHWBXSA-N 2 0 306.841 2.877 20 0 DFADRP C[C@@H]([NH2+]CC[C@H]1CCC[NH2+]C1)c1ccc(OCC[NH+](C)C)cc1 ZINC000423262317 296398071 /nfs/dbraw/zinc/39/80/71/296398071.db2.gz VBFNVDQMTPJNSC-IAGOWNOFSA-N 3 0 319.493 2.667 20 0 DFADRP Cn1ccc([C@H]([NH2+]CC[C@@H]2CCC[NH2+]C2)c2ccc(F)cc2)n1 ZINC000423262692 296398324 /nfs/dbraw/zinc/39/83/24/296398324.db2.gz VVQXUKOMWBHNDU-KBXCAEBGSA-N 2 0 316.424 2.628 20 0 DFADRP C[C@H]([NH2+]CC[C@@H]1CCC[NH2+]C1)c1cccc(N2CCCC2=O)c1 ZINC000423257070 296397409 /nfs/dbraw/zinc/39/74/09/296397409.db2.gz HJZVKVMVTADZAU-HOTGVXAUSA-N 2 0 315.461 2.854 20 0 DFADRP COc1ccc([C@@H](C)[NH2+]CC[C@@H]2CCC[NH2+]C2)cc1NC(C)=O ZINC000423260316 296397635 /nfs/dbraw/zinc/39/76/35/296397635.db2.gz PYRFGWLSTXWYDF-HIFRSBDPSA-N 2 0 319.449 2.694 20 0 DFADRP C[NH2+]C[C@@H](C)C[NH2+][C@@H](C)Cc1ccc(F)cc1Br ZINC000423270710 296399264 /nfs/dbraw/zinc/39/92/64/296399264.db2.gz IDKDIQMYZSDRKP-MNOVXSKESA-N 2 0 317.246 2.964 20 0 DFADRP c1ccc(C[C@H]([NH2+]CC[C@@H]2CCC[NH2+]C2)c2cccnc2)nc1 ZINC000423265569 296398503 /nfs/dbraw/zinc/39/85/03/296398503.db2.gz ZYGVECZSVMBBES-LPHOPBHVSA-N 2 0 310.445 2.740 20 0 DFADRP C[NH2+]CCOCC[NH2+][C@H](C)Cc1c(Cl)cccc1Cl ZINC000629401531 399593887 /nfs/dbraw/zinc/59/38/87/399593887.db2.gz CJSHCKGAQWRNNG-LLVKDONJSA-N 2 0 305.249 2.750 20 0 DFADRP COc1ccc(C[C@H](C)[NH2+]CC[C@H]2CCC[NH2+]C2)c(C)c1OC ZINC000423269968 296398934 /nfs/dbraw/zinc/39/89/34/296398934.db2.gz HMHWVVNFIMPXMO-GOEBONIOSA-N 2 0 320.477 2.923 20 0 DFADRP C[C@H]([NH2+][C@H]1CCC[C@@H]1C[NH3+])c1cccc(N2CCCC2=O)c1 ZINC000423284750 296400828 /nfs/dbraw/zinc/40/08/28/296400828.db2.gz YHNZGBVVRDQLDU-LXZKKBNFSA-N 2 0 301.434 2.591 20 0 DFADRP C[NH2+]C[C@H](C)C[NH2+][C@@H](Cc1ccccc1Cl)[C@H]1CCCO1 ZINC000423279978 296400337 /nfs/dbraw/zinc/40/03/37/296400337.db2.gz TWCQUQGWOARXJU-RRQGHBQHSA-N 2 0 310.869 2.875 20 0 DFADRP [NH3+]C[C@@H]1CCC[C@H]1[NH2+]C1CCN(c2ccc(F)cc2F)CC1 ZINC000423279175 296400339 /nfs/dbraw/zinc/40/03/39/296400339.db2.gz RPKURSGBFKOQIN-BLLLJJGKSA-N 2 0 309.404 2.651 20 0 DFADRP C[NH2+]C[C@H](C)C[NH2+][C@H](C)c1ccc(OCc2nccn2C)cc1 ZINC000423279409 296400367 /nfs/dbraw/zinc/40/03/67/296400367.db2.gz SJVUHCFXRBXNLY-LSDHHAIUSA-N 2 0 316.449 2.505 20 0 DFADRP CC[C@H]([NH2+]Cc1ccc([C@@H](C)[NH3+])cc1)C1(C(=O)OC)CCC1 ZINC000423291041 296401431 /nfs/dbraw/zinc/40/14/31/296401431.db2.gz GKIHOMDCLRUCKP-CJNGLKHVSA-N 2 0 304.434 2.918 20 0 DFADRP CC[NH+](CC)CCN(Cc1cccs1)C(=O)[C@@H]1CCC[N@@H+]1C ZINC000347845908 285203342 /nfs/dbraw/zinc/20/33/42/285203342.db2.gz KXXYQQRVQSVGLP-INIZCTEOSA-N 2 0 323.506 2.513 20 0 DFADRP CCOC(=O)[C@@H]1CC[C@@H]([NH2+]C[C@H](C)C[NH2+]C)c2ccccc21 ZINC000423285374 296401076 /nfs/dbraw/zinc/40/10/76/296401076.db2.gz ZLNLMBFZONEKJM-KBRIMQKVSA-N 2 0 304.434 2.613 20 0 DFADRP C[C@@H](C[NH3+])C[NH2+][C@H]1CCCOc2ccc(Br)cc21 ZINC000423299371 296402081 /nfs/dbraw/zinc/40/20/81/296402081.db2.gz PYWQVTKBPMMPBY-GWCFXTLKSA-N 2 0 313.239 2.847 20 0 DFADRP Cn1ccc([C@@H]([NH2+]CC2(C)CC[NH2+]CC2)c2ccc(F)cc2)n1 ZINC000423317501 296403618 /nfs/dbraw/zinc/40/36/18/296403618.db2.gz BNYPNVLDDKIVGE-KRWDZBQOSA-N 2 0 316.424 2.628 20 0 DFADRP CCO[C@@H]1C[C@H]([NH2+]CC2(C)CC[NH2+]CC2)[C@@H]1Oc1ccccc1 ZINC000423335250 296405487 /nfs/dbraw/zinc/40/54/87/296405487.db2.gz RJIPQLNFCSSYDG-KSZLIROESA-N 2 0 318.461 2.591 20 0 DFADRP C[C@@H](CNC(=O)C(C)(C)[C@@H]([NH3+])c1ccccc1)C[NH+]1CCCC1 ZINC000423336319 296406010 /nfs/dbraw/zinc/40/60/10/296406010.db2.gz GRDFMTBCRRHBTF-RDJZCZTQSA-N 2 0 317.477 2.561 20 0 DFADRP C[C@@H]([NH3+])c1ccc(C(=O)NC2CC[NH+](C3CCCC3)CC2)cc1 ZINC000423340762 296406466 /nfs/dbraw/zinc/40/64/66/296406466.db2.gz TXBWPVOXUMHSIO-CQSZACIVSA-N 2 0 315.461 2.843 20 0 DFADRP [NH3+]CCCC[NH2+][C@H]1CCc2c1ccc(F)c2Br ZINC000423336000 296405670 /nfs/dbraw/zinc/40/56/70/296405670.db2.gz UMJFJOZFMIXJNT-LBPRGKRZSA-N 2 0 301.203 2.904 20 0 DFADRP C[C@H]1CC[NH2+][C@@H](C(=O)Nc2ccc(CC[NH+]3CCCC3)cc2)C1 ZINC000423354369 296407634 /nfs/dbraw/zinc/40/76/34/296407634.db2.gz NKHRMXDRKBOIJU-MAUKXSAKSA-N 2 0 315.461 2.652 20 0 DFADRP CC(C)[C@H]([NH2+]CC[C@H]1CCC[NH2+]1)c1ccc2[nH]c(=O)oc2c1 ZINC000423355161 296407652 /nfs/dbraw/zinc/40/76/52/296407652.db2.gz DWWMXIBHASCCGF-CJNGLKHVSA-N 2 0 303.406 2.962 20 0 DFADRP Brc1cccc2c1C[C@@H]([NH2+]C[C@@H]1CC[NH2+]C1)CC2 ZINC000423346977 296407047 /nfs/dbraw/zinc/40/70/47/296407047.db2.gz QLHCFPUXTYOILS-YPMHNXCESA-N 2 0 309.251 2.506 20 0 DFADRP Fc1ccc2c(c1Br)CC[C@H]2[NH2+]C[C@H]1CC[NH2+]C1 ZINC000423349257 296407302 /nfs/dbraw/zinc/40/73/02/296407302.db2.gz VFTKVDZSDINVFL-TVQRCGJNSA-N 2 0 313.214 2.775 20 0 DFADRP C[C@H]1[NH2+]CCC[C@@H]1C(=O)Nc1ccc(CC[NH+]2CCCC2)cc1 ZINC000423360448 296408060 /nfs/dbraw/zinc/40/80/60/296408060.db2.gz WACRTDHVXYCALV-QAPCUYQASA-N 2 0 315.461 2.652 20 0 DFADRP Fc1ccc([C@@H](C[C@@H]2CCCO2)[NH2+]CC2=CC[NH2+]CC2)cc1 ZINC000423357318 296408321 /nfs/dbraw/zinc/40/83/21/296408321.db2.gz SFISSELZIMPNAN-ZWKOTPCHSA-N 2 0 304.409 2.945 20 0 DFADRP CC[C@H]([NH2+][C@@H](C)CN1CC[NH+](C)CC1)c1ccc(F)cc1F ZINC000155027787 197015188 /nfs/dbraw/zinc/01/51/88/197015188.db2.gz NKOSPPQZUYJABB-GUYCJALGSA-N 2 0 311.420 2.641 20 0 DFADRP CCN1CCC[C@@H]([NH2+][C@H]2CCCOc3ccc(OC)cc32)C1 ZINC000247146358 285232099 /nfs/dbraw/zinc/23/20/99/285232099.db2.gz SOVABTOHQWBXMS-PBHICJAKSA-N 2 0 304.434 2.983 20 0 DFADRP COCC1(C[NH2+][C@H]2CCSc3c(F)cccc32)CC[NH2+]CC1 ZINC000423377314 296410089 /nfs/dbraw/zinc/41/00/89/296410089.db2.gz BJNOTQIOBNLKGH-HNNXBMFYSA-N 2 0 324.465 2.968 20 0 DFADRP C[C@H]1CCC[C@H](C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)C1 ZINC000120363640 195151791 /nfs/dbraw/zinc/15/17/91/195151791.db2.gz MMECTKBBUMVKJB-IRXDYDNUSA-N 2 0 311.514 2.545 20 0 DFADRP CC[C@H]([NH2+]C[C@H](N1CC[NH2+]CC1)C(F)(F)F)C1CCCCC1 ZINC000423381026 296410556 /nfs/dbraw/zinc/41/05/56/296410556.db2.gz HOWUUSVRVYFWNG-GJZGRUSLSA-N 2 0 321.431 2.771 20 0 DFADRP CCC[C@H]([NH2+]C[C@H](N1CC[NH2+]CC1)C(F)(F)F)C(C)(C)C ZINC000423387243 296411434 /nfs/dbraw/zinc/41/14/34/296411434.db2.gz JWTSQNHCWHBMJO-STQMWFEESA-N 2 0 309.420 2.627 20 0 DFADRP OC1(CC[NH2+]C2CC[NH+](CC3CCCCC3)CC2)CCOCC1 ZINC000367689300 285233470 /nfs/dbraw/zinc/23/34/70/285233470.db2.gz PFYAYDVBMIVTSH-UHFFFAOYSA-N 2 0 324.509 2.552 20 0 DFADRP COCC1(C[NH2+][C@@H](C)c2ccc(F)cc2N(C)C)CC[NH2+]CC1 ZINC000423397875 296412417 /nfs/dbraw/zinc/41/24/17/296412417.db2.gz CIXGCTLHDIDLSF-AWEZNQCLSA-N 2 0 323.456 2.559 20 0 DFADRP CCO[C@H]1C[C@@H]([NH2+]CC2(COC)CC[NH2+]CC2)C1(CC)CC ZINC000423396341 296412010 /nfs/dbraw/zinc/41/20/10/296412010.db2.gz BIUBVLVPTAPAAC-CVEARBPZSA-N 2 0 312.498 2.576 20 0 DFADRP COCC1(C[NH2+]C2CCc3ccccc3CC2)CC[NH2+]CC1 ZINC000423408868 296413558 /nfs/dbraw/zinc/41/35/58/296413558.db2.gz PFWIOUSYMVBRBZ-UHFFFAOYSA-N 2 0 302.462 2.540 20 0 DFADRP CCCN(CCC[NH+](C)C)C(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC000347909920 285238705 /nfs/dbraw/zinc/23/87/05/285238705.db2.gz QVABUMAXJGNQPD-QGZVFWFLSA-N 2 0 309.498 2.584 20 0 DFADRP COCC1(C[NH2+][C@H]2CCCOc3ccccc32)CC[NH2+]CC1 ZINC000423405941 296413204 /nfs/dbraw/zinc/41/32/04/296413204.db2.gz JWMPYVULEPVBTD-INIZCTEOSA-N 2 0 304.434 2.506 20 0 DFADRP COCC1(C[NH2+][C@H]2CCCc3ccc(F)cc32)CC[NH2+]CC1 ZINC000423409362 296413897 /nfs/dbraw/zinc/41/38/97/296413897.db2.gz PTXIIDGBSQKHAL-KRWDZBQOSA-N 2 0 306.425 2.809 20 0 DFADRP Cc1ccc(C[C@H]([NH2+]C[C@H]2C[NH2+]C[C@H]2O)c2ccc(C)cc2)cc1 ZINC000423412142 296414000 /nfs/dbraw/zinc/41/40/00/296414000.db2.gz WHGZEKALDLNNEP-QHAWAJNXSA-N 2 0 324.468 2.757 20 0 DFADRP COCC1(C[NH2+][C@@H]2CCCc3cc(F)ccc32)CC[NH2+]CC1 ZINC000423413682 296414394 /nfs/dbraw/zinc/41/43/94/296414394.db2.gz ZOLCWDGZQXYBAL-QGZVFWFLSA-N 2 0 306.425 2.809 20 0 DFADRP COCC1(C[NH2+][C@@H](Cc2ccc(F)cc2)C(C)C)CC[NH2+]CC1 ZINC000423413679 296414603 /nfs/dbraw/zinc/41/46/03/296414603.db2.gz ZNLDPEYPUZRFLQ-SFHVURJKSA-N 2 0 322.468 2.999 20 0 DFADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)[C@@H]1CCC(C)(C)C1 ZINC000359040431 285246772 /nfs/dbraw/zinc/24/67/72/285246772.db2.gz KYICQEAPEGMPJB-IAGOWNOFSA-N 2 0 323.525 2.687 20 0 DFADRP COC(=O)c1oc([C@@H](C)[N@@H+]2CCC3(C2)CC[NH+](C)CC3)cc1C ZINC000602877034 399612699 /nfs/dbraw/zinc/61/26/99/399612699.db2.gz KHBSHCFTUYKMIY-CQSZACIVSA-N 2 0 320.433 2.853 20 0 DFADRP O[C@@H]1C[NH2+]C[C@@H]1C[NH2+][C@@H]1CCC[C@H](c2cccc(Cl)c2)C1 ZINC000423440754 296416941 /nfs/dbraw/zinc/41/69/41/296416941.db2.gz VZSKEQDZHWDKGM-XOSAIJSUSA-N 2 0 308.853 2.536 20 0 DFADRP CCC[C@H](C(=O)N1CCC(CCC[NH+]2CCCC2)CC1)[NH+](C)C ZINC000120383411 195155387 /nfs/dbraw/zinc/15/53/87/195155387.db2.gz HBYHLHZCQWXSRR-GOSISDBHSA-N 2 0 323.525 2.831 20 0 DFADRP COc1ncc([C@@H](C)[NH2+][C@@H]2C[C@H]2C2CC[NH2+]CC2)cc1Cl ZINC000423447789 296417744 /nfs/dbraw/zinc/41/77/44/296417744.db2.gz UJAVNVYHDGUFNZ-RIEGTJTDSA-N 2 0 309.841 2.782 20 0 DFADRP C[C@H](C[NH2+][C@H]1C[C@@H](C)c2ccccc21)CN1CC[NH+](C)CC1 ZINC000289223027 220807025 /nfs/dbraw/zinc/80/70/25/220807025.db2.gz LKCRHXWLFZGXLT-MDZRGWNJSA-N 2 0 301.478 2.708 20 0 DFADRP C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@@H]1[NH2+]C[C@]1(C)CCCS1 ZINC000120476546 195173944 /nfs/dbraw/zinc/17/39/44/195173944.db2.gz YQIUZQPPAAWUFD-QZWWFDLISA-N 2 0 312.523 2.751 20 0 DFADRP OC[C@@H]1CCC[N@@H+]1CCCC[NH2+][C@@H]1CCCc2sccc21 ZINC000305164722 285273767 /nfs/dbraw/zinc/27/37/67/285273767.db2.gz XYRCJSRUGYKQGB-GOEBONIOSA-N 2 0 308.491 2.952 20 0 DFADRP c1ccc(C[C@H]([NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)c2cccnc2)nc1 ZINC000423539312 296427809 /nfs/dbraw/zinc/42/78/09/296427809.db2.gz ICMUZMDERZOVFZ-UUXHPUJUSA-N 2 0 322.456 2.738 20 0 DFADRP COc1ccc([C@@H](C)[NH2+]CCC2=CC[NH2+]CC2)c(C)c1OC ZINC000423537642 296427810 /nfs/dbraw/zinc/42/78/10/296427810.db2.gz KKJOORWRAHVPSD-CQSZACIVSA-N 2 0 304.434 2.973 20 0 DFADRP CCO[C@@H]1C[C@H]([NH2+]CCC2=CC[NH2+]CC2)[C@@H]1Oc1ccccc1 ZINC000423536912 296427852 /nfs/dbraw/zinc/42/78/52/296427852.db2.gz IOZBVTUJDTYFDG-OTWHNJEPSA-N 2 0 316.445 2.511 20 0 DFADRP CC[C@H]([NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)c1ccc2c(c1)OCCO2 ZINC000423540000 296427885 /nfs/dbraw/zinc/42/78/85/296427885.db2.gz JDGIZUCAHCGJSH-TWMKSMIVSA-N 2 0 316.445 2.887 20 0 DFADRP CC[C@@H]1C[C@H]([NH2+][C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)CCO1 ZINC000423553970 296428996 /nfs/dbraw/zinc/42/89/96/296428996.db2.gz RBTYTJKTYGIGDY-FXRXJOCMSA-N 2 0 316.445 2.790 20 0 DFADRP COc1ccc(CC[C@H](C)[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000423555017 296429492 /nfs/dbraw/zinc/42/94/92/296429492.db2.gz XQWVTJYIADGXPG-DZOHQFGASA-N 2 0 302.462 2.994 20 0 DFADRP COC(=O)CCC[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)C1 ZINC000423563255 296429586 /nfs/dbraw/zinc/42/95/86/296429586.db2.gz XBFYPIHJYZHBEQ-FLXSYLCISA-N 2 0 322.493 2.866 20 0 DFADRP CCCNC(=O)[C@H](C)[NH2+]Cc1ccccc1C[NH+]1CCCCC1 ZINC000120840278 195247795 /nfs/dbraw/zinc/24/77/95/195247795.db2.gz DTOLJPPSECOURR-INIZCTEOSA-N 2 0 317.477 2.677 20 0 DFADRP C[C@@H](C[NH2+][C@@H](C)c1ccc(Cl)s1)CN1CC[NH+](C)CC1 ZINC000120852094 195251494 /nfs/dbraw/zinc/25/14/94/195251494.db2.gz YLMMPXLQUGBVIE-STQMWFEESA-N 2 0 315.914 2.936 20 0 DFADRP C[C@H]([NH2+]Cc1ccc[nH]c1=O)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000624259647 399619251 /nfs/dbraw/zinc/61/92/51/399619251.db2.gz SDAXIEUHMNEYIQ-MAUKXSAKSA-N 2 0 311.429 2.787 20 0 DFADRP C[C@@H]([NH2+]Cc1ccc[nH]c1=O)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000624259646 399618888 /nfs/dbraw/zinc/61/88/88/399618888.db2.gz SDAXIEUHMNEYIQ-CRAIPNDOSA-N 2 0 311.429 2.787 20 0 DFADRP CC[N@H+](Cc1cnn(C)c1C)Cc1ccc(C[NH+](C)C)cc1 ZINC000289533740 221047042 /nfs/dbraw/zinc/04/70/42/221047042.db2.gz WGXRLTPXPSESST-UHFFFAOYSA-N 2 0 300.450 2.812 20 0 DFADRP FC(F)(F)C1(C[NH2+]C2CCN([C@H]3CCOC3)CC2)CCCC1 ZINC000624274322 399625165 /nfs/dbraw/zinc/62/51/65/399625165.db2.gz WLCYGXJPEIZUJN-AWEZNQCLSA-N 2 0 320.399 2.952 20 0 DFADRP CC1(C)[C@@H](c2ccccc2)[C@@H]1[NH2+][C@@H]1CCOC[C@H]1[C@H]1CCC[NH2+]1 ZINC000629512465 399629903 /nfs/dbraw/zinc/62/99/03/399629903.db2.gz AMJRPVGJSLCKIU-JKEDJMADSA-N 2 0 314.473 2.925 20 0 DFADRP CCC[C@@](C)(CO)[NH2+]Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000083469714 542502937 /nfs/dbraw/zinc/50/29/37/542502937.db2.gz BMVZSVBSFXGOTP-IBGZPJMESA-N 2 0 320.477 2.802 20 0 DFADRP [NH3+]C1(C[NH2+][C@@H](Cc2ccccc2Cl)C2CC2)CCOCC1 ZINC000629520065 399634119 /nfs/dbraw/zinc/63/41/19/399634119.db2.gz KDJCKCRZMZXATE-INIZCTEOSA-N 2 0 308.853 2.759 20 0 DFADRP CO[C@H]1C[C@@H](C[NH2+][C@@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000624311220 399635345 /nfs/dbraw/zinc/63/53/45/399635345.db2.gz VFMDSISFELJMOV-GDAAHCPNSA-N 2 0 302.462 2.912 20 0 DFADRP COCCOCc1ccc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000289895612 221299572 /nfs/dbraw/zinc/29/95/72/221299572.db2.gz YCDRLHHBDYLNGG-OALUTQOASA-N 2 0 318.461 2.566 20 0 DFADRP CC[C@@H]1[NH2+]CC[C@H]1NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000629527541 399636291 /nfs/dbraw/zinc/63/62/91/399636291.db2.gz YDAGVOPUHIEAKP-OLPBJYBYSA-N 2 0 313.489 2.912 20 0 DFADRP CC[C@@H]1[NH2+]CC[C@H]1N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000629526008 399636973 /nfs/dbraw/zinc/63/69/73/399636973.db2.gz IPKVTNVEGYHWRE-GDAAHCPNSA-N 2 0 301.478 2.627 20 0 DFADRP C[C@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]CCN(C)CC(F)F)CC1 ZINC000624324108 399638371 /nfs/dbraw/zinc/63/83/71/399638371.db2.gz FYJOLTCXRYQZKP-HOCLYGCPSA-N 2 0 317.468 2.816 20 0 DFADRP CC(C)CCO[C@H]1CC[C@H]([NH2+][C@@H]2CCOC[C@@H]2[C@@H](C)[NH3+])CC1 ZINC000629531409 399637779 /nfs/dbraw/zinc/63/77/79/399637779.db2.gz KDLIZZQNICXVIC-DUQPFJRNSA-N 2 0 312.498 2.702 20 0 DFADRP Cc1cc(C[NH2+]C2CC[NH+](C[C@H]3CCOC3)CC2)cc(C)c1O ZINC000289967805 221348280 /nfs/dbraw/zinc/34/82/80/221348280.db2.gz BOPKKRVCHYPJJO-MRXNPFEDSA-N 2 0 318.461 2.600 20 0 DFADRP Cc1cc(Cl)c2c(c1)[C@H]([NH2+]CCOCCC[NH3+])CCCO2 ZINC000629534897 399638910 /nfs/dbraw/zinc/63/89/10/399638910.db2.gz BXIGCNRNHWQANB-OAHLLOKOSA-N 2 0 312.841 2.817 20 0 DFADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+][C@@H]1CCO[C@H]1c1ccc(=O)[nH]c1 ZINC000629538688 399640145 /nfs/dbraw/zinc/64/01/45/399640145.db2.gz OEXYMQFKENNPBN-VUNQQRPYSA-N 2 0 319.449 2.518 20 0 DFADRP CCOc1cccc2cc([C@H](C)[NH2+]CCOCCC[NH3+])oc21 ZINC000629540567 399640514 /nfs/dbraw/zinc/64/05/14/399640514.db2.gz VXDRKJAVDLJGBW-ZDUSSCGKSA-N 2 0 306.406 2.848 20 0 DFADRP COc1ccc2c(c1)[C@@H]([NH2+]CCOCCC[NH3+])CCCS2 ZINC000629539068 399639972 /nfs/dbraw/zinc/63/99/72/399639972.db2.gz PENLVUSIIIEJAN-HNNXBMFYSA-N 2 0 310.463 2.577 20 0 DFADRP O[C@H](C[NH2+]C[C@H]1CCC[C@@H]1c1ccccc1)C[NH+]1CCCC1 ZINC000629579510 399653399 /nfs/dbraw/zinc/65/33/99/399653399.db2.gz FGMQPELFBMTYKY-GUDVDZBRSA-N 2 0 302.462 2.617 20 0 DFADRP C[C@@H]1CCCc2ccccc2[C@H]1[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000629576265 399653845 /nfs/dbraw/zinc/65/38/45/399653845.db2.gz WYAQJZUVFZDUGP-AYBZRNKSSA-N 2 0 302.462 2.746 20 0 DFADRP O[C@H]1CCN(CC[NH2+][C@H]2CC[C@@H](c3ccc(Cl)cc3)C2)C1 ZINC000624339021 399644559 /nfs/dbraw/zinc/64/45/59/399644559.db2.gz KBBLNCBVWJJRQW-PVAVHDDUSA-N 2 0 308.853 2.632 20 0 DFADRP CC(C)CC[C@@H]([NH2+]Cc1cn([C@@H]2CC[NH2+]C2)nn1)C(C)(C)C ZINC000629551832 399645327 /nfs/dbraw/zinc/64/53/27/399645327.db2.gz XGXORBRCELIFSK-HZPDHXFCSA-N 2 0 307.486 2.753 20 0 DFADRP COC(=O)c1ccc(C[N@H+](C)CCCC[NH+]2CCCCC2)o1 ZINC000603109681 399683847 /nfs/dbraw/zinc/68/38/47/399683847.db2.gz DJAZTZYYBSFVJK-UHFFFAOYSA-N 2 0 308.422 2.764 20 0 DFADRP c1cc2c(c(C[NH+]3CCC(CO[C@H]4CC[NH2+]C4)CC3)c1)CCC2 ZINC000629673527 399685119 /nfs/dbraw/zinc/68/51/19/399685119.db2.gz TVJYBSYWXCJXSB-IBGZPJMESA-N 2 0 314.473 2.766 20 0 DFADRP C[NH2+]CCc1ccc(-c2ccccc2C[NH+]2CCN(C)CC2)cc1 ZINC000629735163 399707773 /nfs/dbraw/zinc/70/77/73/399707773.db2.gz KVZIDSIHRLZPLU-UHFFFAOYSA-N 2 0 323.484 2.863 20 0 DFADRP Cc1c(C[C@@H](C[NH3+])CO)cccc1-c1ccc([C@H](C)[NH3+])c(F)c1 ZINC000629737989 399708643 /nfs/dbraw/zinc/70/86/43/399708643.db2.gz OUGRSUZOBXMBQT-KBPBESRZSA-N 2 0 316.420 2.931 20 0 DFADRP C[C@H]([NH2+][C@@H](C)C1CC[NH+](C)CC1)c1cn(-c2ccccc2)nn1 ZINC000090450313 542536583 /nfs/dbraw/zinc/53/65/83/542536583.db2.gz YQNXKBLJGIKCOV-GJZGRUSLSA-N 2 0 313.449 2.648 20 0 DFADRP FC(F)(F)[C@H]1C[C@H]([NH2+]C2CC[NH+](C3CCC3)CC2)CCO1 ZINC000348088317 285338406 /nfs/dbraw/zinc/33/84/06/285338406.db2.gz SAJRTAUBCXHAPU-TZMCWYRMSA-N 2 0 306.372 2.703 20 0 DFADRP CC(C)CN(C(=O)C[C@H]([NH3+])c1ccccc1)C1CC[NH+](C)CC1 ZINC000423737477 296442657 /nfs/dbraw/zinc/44/26/57/296442657.db2.gz BCAGKVIURQXQHT-SFHVURJKSA-N 2 0 317.477 2.655 20 0 DFADRP C[NH+](C)CC1CCC(NC(=O)[C@H]2CCCCCC[C@@H]2[NH3+])CC1 ZINC000423745740 296443169 /nfs/dbraw/zinc/44/31/69/296443169.db2.gz MTJQLQJMLADJOM-GQGLESIBSA-N 2 0 309.498 2.521 20 0 DFADRP Cc1nc2ccccc2n1CC[NH2+][C@H](C)C1CC[NH+](C)CC1 ZINC000119253260 542571650 /nfs/dbraw/zinc/57/16/50/542571650.db2.gz SVESDFKEKCWCGB-CQSZACIVSA-N 2 0 300.450 2.665 20 0 DFADRP CC[C@@](C)(CO)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000348102000 285349913 /nfs/dbraw/zinc/34/99/13/285349913.db2.gz KFLCNGUXLPDWHJ-IPQPSQTFSA-N 2 0 302.462 2.933 20 0 DFADRP Cc1ccc([C@H](C)[NH2+]C[C@H](C)CN2CC[NH+](C)CC2)c(C)c1 ZINC000120993971 195277576 /nfs/dbraw/zinc/27/75/76/195277576.db2.gz ILRPQZXNTGGKHX-WMZOPIPTSA-N 2 0 303.494 2.838 20 0 DFADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+][C@H]2CCc3c2cccc3C)CC1 ZINC000121141205 195298531 /nfs/dbraw/zinc/29/85/31/195298531.db2.gz URPQHRPCFRTSFU-JXFKEZNVSA-N 2 0 315.505 2.846 20 0 DFADRP CCC[NH+]1CCC(C[NH2+][C@@H]2CCO[C@@H](C(F)(F)F)C2)CC1 ZINC000348124332 285366009 /nfs/dbraw/zinc/36/60/09/285366009.db2.gz VYCFINZHZXCTLY-ZIAGYGMSSA-N 2 0 308.388 2.808 20 0 DFADRP CCCc1cc(N2CCO[C@H](C[NH+](C)C)C2)c2ccccc2[nH+]1 ZINC000124793958 195679601 /nfs/dbraw/zinc/67/96/01/195679601.db2.gz XEWHUYXZTXHJIO-MRXNPFEDSA-N 2 0 313.445 2.954 20 0 DFADRP C[C@H]([NH2+]CC1CC[NH+](Cc2cccs2)CC1)[C@H]1CCOC1 ZINC000125457703 195752086 /nfs/dbraw/zinc/75/20/86/195752086.db2.gz NXUSYHPXGNKQCF-HOCLYGCPSA-N 2 0 308.491 2.975 20 0 DFADRP CC[N@@H+](Cc1ccc(C[NH+](C)C)cc1)C[C@@H](OC)[C@H]1CCOC1 ZINC000626063937 399742661 /nfs/dbraw/zinc/74/26/61/399742661.db2.gz WAFIXKXYQHIJGN-RBUKOAKNSA-N 2 0 320.477 2.622 20 0 DFADRP COc1ccc2c(c1)C[C@@H]([NH2+]C1CC[NH+](CC(C)C)CC1)CO2 ZINC000295819178 533266697 /nfs/dbraw/zinc/26/66/97/533266697.db2.gz DGZGZWUPXLQDDH-QGZVFWFLSA-N 2 0 318.461 2.709 20 0 DFADRP CC[C@H]([NH3+])C(=O)Nc1cccc(CC[NH+]2CCC(C)CC2)c1 ZINC000423857257 296457087 /nfs/dbraw/zinc/45/70/87/296457087.db2.gz YFWHXEXJGSKDJD-KRWDZBQOSA-N 2 0 303.450 2.637 20 0 DFADRP CCC[NH+]1CCC(N[C@H](CCO)c2ccc(OC)cc2)CC1 ZINC000121060118 542582440 /nfs/dbraw/zinc/58/24/40/542582440.db2.gz QYVOBSCFGBZTBQ-GOSISDBHSA-N 2 0 306.450 2.583 20 0 DFADRP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)CCc2cccc(Cl)c2)CC1 ZINC000297568904 533663016 /nfs/dbraw/zinc/66/30/16/533663016.db2.gz CRDDMKMEQWDGSA-OAHLLOKOSA-N 2 0 324.896 2.907 20 0 DFADRP CN(Cc1ccccc1)C[C@H](O)C[N@@H+]1CCCC2(CC2)CC1 ZINC000626113729 399759023 /nfs/dbraw/zinc/75/90/23/399759023.db2.gz CUFDLSAURHGTAG-SFHVURJKSA-N 2 0 302.462 2.745 20 0 DFADRP CN(Cc1ccccc1)C[C@@H](O)C[N@@H+]1CCCC2(CC2)CC1 ZINC000626113728 399759060 /nfs/dbraw/zinc/75/90/60/399759060.db2.gz CUFDLSAURHGTAG-GOSISDBHSA-N 2 0 302.462 2.745 20 0 DFADRP CCCc1ccc(C[NH2+][C@@H](C)CCN2CC[NH+](C)CC2)s1 ZINC000621345807 399761581 /nfs/dbraw/zinc/76/15/81/399761581.db2.gz XKBVPNNHTUAYBW-HNNXBMFYSA-N 2 0 309.523 2.816 20 0 DFADRP C[C@@]1(O)CCC[N@H+](Cc2ccc(OCC[NH+]3CCCC3)cc2)C1 ZINC000129581919 542624749 /nfs/dbraw/zinc/62/47/49/542624749.db2.gz NIPSZQXSNYAIFB-LJQANCHMSA-N 2 0 318.461 2.508 20 0 DFADRP CCOc1cncc(C[NH2+]CC2CC[NH+](CC3CC3)CC2)c1 ZINC000621371671 399773688 /nfs/dbraw/zinc/77/36/88/399773688.db2.gz ICQWHKVFZZWPQF-UHFFFAOYSA-N 2 0 303.450 2.692 20 0 DFADRP CC[NH+](CC)CCOCC[NH2+][C@@H]1CCCNc2ccccc21 ZINC000348254628 285452259 /nfs/dbraw/zinc/45/22/59/285452259.db2.gz OYOJPXWNTMDCAG-GOSISDBHSA-N 2 0 305.466 2.881 20 0 DFADRP C[C@H]([NH2+]Cc1ccnc(N2CCCC2)c1)C1CC[NH+](C)CC1 ZINC000131528368 542637426 /nfs/dbraw/zinc/63/74/26/542637426.db2.gz UHOMEGZGBUOIEY-HNNXBMFYSA-N 2 0 302.466 2.502 20 0 DFADRP C[N@H+](CC(=O)Nc1cccc(CC[NH+]2CCCC2)c1)C1CCC1 ZINC000629975931 399777292 /nfs/dbraw/zinc/77/72/92/399777292.db2.gz BZJPJOCDQDKDAX-UHFFFAOYSA-N 2 0 315.461 2.748 20 0 DFADRP CC1CC[NH+](C2CCC(NC(=O)C[N@H+](C)C3CCC3)CC2)CC1 ZINC000629974210 399777709 /nfs/dbraw/zinc/77/77/09/399777709.db2.gz MMJVTPZVWZIYSU-UHFFFAOYSA-N 2 0 321.509 2.630 20 0 DFADRP C[C@@H]([NH2+]C[C@@H](c1cccc(F)c1)N(C)C)C1CC[NH+](C)CC1 ZINC000133591145 542647046 /nfs/dbraw/zinc/64/70/46/542647046.db2.gz FXCVAIYZDKMCNF-KDOFPFPSSA-N 2 0 307.457 2.748 20 0 DFADRP C[NH+](C)C[C@@H](NC(=O)C[N@H+](C)C1CCC1)c1ccc(Cl)cc1 ZINC000629991241 399784447 /nfs/dbraw/zinc/78/44/47/399784447.db2.gz RVUYCHLYROSXIO-MRXNPFEDSA-N 2 0 323.868 2.543 20 0 DFADRP C[C@H]([NH2+]Cc1cnn(Cc2ccccc2)c1)C1CC[NH+](C)CC1 ZINC000152611811 542678195 /nfs/dbraw/zinc/67/81/95/542678195.db2.gz RROIWZDLZJZKER-INIZCTEOSA-N 2 0 312.461 2.751 20 0 DFADRP O[C@H](Cc1ccc(F)cc1)C[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000292767215 131674955 /nfs/dbraw/zinc/67/49/55/131674955.db2.gz JIYOLOLUJZRZOI-IEBWSBKVSA-N 2 0 320.452 2.537 20 0 DFADRP CCC[NH+](CCC)CCCC(=O)N1C[C@H]([NH3+])Cc2ccccc21 ZINC000424079853 296483674 /nfs/dbraw/zinc/48/36/74/296483674.db2.gz STFGDCJIUZYHDV-QGZVFWFLSA-N 2 0 317.477 2.805 20 0 DFADRP CCC[N@H+](CC)Cc1ccc(C(=O)NCC[C@@H](C)[NH+](C)C)cc1 ZINC000617752634 399789616 /nfs/dbraw/zinc/78/96/16/399789616.db2.gz REVZYCGFIOVEGT-MRXNPFEDSA-N 2 0 319.493 2.989 20 0 DFADRP CCC[NH+]1CCC([NH2+]CCc2ccc(NC(C)=O)cc2)CC1 ZINC000165583128 542748826 /nfs/dbraw/zinc/74/88/26/542748826.db2.gz OSOBPTHBBCZNCB-UHFFFAOYSA-N 2 0 303.450 2.652 20 0 DFADRP C[C@@H]([NH2+][C@@H]1CCN(c2c(F)cccc2F)C1)C1CC[NH+](C)CC1 ZINC000167515430 542753550 /nfs/dbraw/zinc/75/35/50/542753550.db2.gz DNFXYRQDOKATHW-UKRRQHHQSA-N 2 0 323.431 2.863 20 0 DFADRP CCC(CC)(CNC(=O)[C@@H]1CCC[NH2+]1)[NH2+][C@H](C)c1ccccc1 ZINC000168760514 542754027 /nfs/dbraw/zinc/75/40/27/542754027.db2.gz ACACEFFOPHNABC-WBVHZDCISA-N 2 0 317.477 2.764 20 0 DFADRP CC(C)C[C@@H]([NH3+])C(=O)Nc1ccc2ccn(CC[NH+](C)C)c2c1 ZINC000169233938 542754968 /nfs/dbraw/zinc/75/49/68/542754968.db2.gz AKPNOCZADDWYMI-MRXNPFEDSA-N 2 0 316.449 2.515 20 0 DFADRP C[NH+](C)CCc1ccccc1NC(=O)N1CCCCC[C@@H]([NH3+])C1 ZINC000632937596 399800865 /nfs/dbraw/zinc/80/08/65/399800865.db2.gz JMRTVNSTCRSZQJ-MRXNPFEDSA-N 2 0 318.465 2.526 20 0 DFADRP [NH3+][C@H](CCC(=O)NCCC[NH+]1CCCC1)CC1CCCCC1 ZINC000424130351 296486535 /nfs/dbraw/zinc/48/65/35/296486535.db2.gz FBJWDIJLZKLQAM-QGZVFWFLSA-N 2 0 309.498 2.666 20 0 DFADRP C[C@H](CNC(=O)CC[C@@H]([NH3+])CC1CCCCC1)C[NH+]1CCCC1 ZINC000424125912 296486608 /nfs/dbraw/zinc/48/66/08/296486608.db2.gz AXBOEEFKEZECOK-SJLPKXTDSA-N 2 0 323.525 2.912 20 0 DFADRP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)CC(C)(C)c2ccccc2)CC1 ZINC000180093978 542783017 /nfs/dbraw/zinc/78/30/17/542783017.db2.gz LMKVWAGODFFQJU-QGZVFWFLSA-N 2 0 318.505 2.989 20 0 DFADRP Cc1n[nH]cc1[C@@H](C)[NH2+]Cc1ccc(OCC[NH+](C)C)cc1 ZINC000180151927 542783108 /nfs/dbraw/zinc/78/31/08/542783108.db2.gz OLBCCYUKZRDZHV-CYBMUJFWSA-N 2 0 302.422 2.509 20 0 DFADRP Cc1n[nH]cc1[C@H](C)[NH2+]Cc1ccccc1OCC[NH+](C)C ZINC000180330714 542784301 /nfs/dbraw/zinc/78/43/01/542784301.db2.gz UCIGLLCBMDABHO-ZDUSSCGKSA-N 2 0 302.422 2.509 20 0 DFADRP Cc1n[nH]cc1[C@@H](C)[NH2+]Cc1ccc(OCCC[NH+](C)C)cc1 ZINC000180425236 542784351 /nfs/dbraw/zinc/78/43/51/542784351.db2.gz OZAYWMDWXHCTQS-CQSZACIVSA-N 2 0 316.449 2.899 20 0 DFADRP C[C@@H](C[NH2+][C@H]1CCSc2c(F)cccc21)N1CC[NH+](C)CC1 ZINC000178773792 542778347 /nfs/dbraw/zinc/77/83/47/542778347.db2.gz JPPCQAVEGSYECV-BBRMVZONSA-N 2 0 323.481 2.588 20 0 DFADRP C[C@H]1C[C@H]([NH2+]CCc2nc(-c3ccccn3)cs2)CC[N@@H+]1C ZINC000181009922 542787436 /nfs/dbraw/zinc/78/74/36/542787436.db2.gz NGMXWDDMOXEJFW-UONOGXRCSA-N 2 0 316.474 2.820 20 0 DFADRP CCO[C@@H]1C[C@@H]([NH2+]C[C@H](O)C[NH+]2CCCCC2)C12CCCCC2 ZINC000181560220 542790285 /nfs/dbraw/zinc/79/02/85/542790285.db2.gz RSXKEUNJXKDLNZ-RCCFBDPRSA-N 2 0 324.509 2.551 20 0 DFADRP [NH3+]C1CCC(C(=O)NC[C@H](c2cccs2)[NH+]2CCCC2)CC1 ZINC000621488046 399813662 /nfs/dbraw/zinc/81/36/62/399813662.db2.gz SNWVXJJYGZJHEC-YMAMQOFZSA-N 2 0 321.490 2.519 20 0 DFADRP [NH3+][C@@H](CCC(=O)N1CCC[C@H]([NH+]2CCCC2)C1)c1ccccc1 ZINC000237924483 542908111 /nfs/dbraw/zinc/90/81/11/542908111.db2.gz UXJCINQRQDRIKJ-ROUUACIJSA-N 2 0 315.461 2.553 20 0 DFADRP CC(C)([NH3+])CC(=O)NCc1cccc(C[NH+]2CCCCCC2)c1 ZINC000236856445 542898430 /nfs/dbraw/zinc/89/84/30/542898430.db2.gz BYMWHQCRNVTZNH-UHFFFAOYSA-N 2 0 317.477 2.806 20 0 DFADRP CC[N@H+](Cc1ccc(C(=O)NC[C@H]2CCCC[NH2+]2)cc1)C(C)C ZINC000236995157 542899256 /nfs/dbraw/zinc/89/92/56/542899256.db2.gz JIZGPQLHRKSIIQ-GOSISDBHSA-N 2 0 317.477 2.789 20 0 DFADRP Cc1cccc(C)c1C[NH+]1CCC(n2ncc3c2C[NH2+]C3)CC1 ZINC000424283218 296498811 /nfs/dbraw/zinc/49/88/11/296498811.db2.gz BBPKUEHDKCGTTR-UHFFFAOYSA-N 2 0 310.445 2.940 20 0 DFADRP CC[C@H]1C[N@H+](CCC(=O)Nc2ccccc2Cl)CC[C@H]1[NH3+] ZINC000251889402 542946742 /nfs/dbraw/zinc/94/67/42/542946742.db2.gz VVZJIJSEHUDKRY-GXTWGEPZSA-N 2 0 309.841 2.728 20 0 DFADRP c1ccc2c(c1)-c1ccccc1C2[NH+]1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000261629604 542952725 /nfs/dbraw/zinc/95/27/25/542952725.db2.gz HDOSHRXRZVRJCH-INIZCTEOSA-N 2 0 319.452 2.736 20 0 DFADRP O[C@@H]1CCC[C@H]1[NH+]1CCC([NH2+][C@@H]2CCc3ccc(F)cc32)CC1 ZINC000271438574 542965522 /nfs/dbraw/zinc/96/55/22/542965522.db2.gz CCBMOTUOMAPMBH-GUDVDZBRSA-N 2 0 318.436 2.780 20 0 DFADRP CC(C)[C@@H](CO)[NH2+]C1CC[NH+]([C@H](C)Cc2ccccc2)CC1 ZINC000449179016 297418575 /nfs/dbraw/zinc/41/85/75/297418575.db2.gz UXPVGQKATXTBSK-VQIMIIECSA-N 2 0 304.478 2.689 20 0 DFADRP COc1cc2c(cc1OC)[C@H]([NH2+]CCC[NH+]1CCCC1)CC2 ZINC000280180406 542987054 /nfs/dbraw/zinc/98/70/54/542987054.db2.gz RPCRSNPEUSZPBU-MRXNPFEDSA-N 2 0 304.434 2.767 20 0 DFADRP O[C@@H]1CCCC[C@H]1[N@@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000285531104 542998213 /nfs/dbraw/zinc/99/82/13/542998213.db2.gz KWYUFRWKRCDSKE-VAMGGRTRSA-N 2 0 314.473 2.888 20 0 DFADRP COc1cc2[nH+]ccc(N[C@@H](C)[C@@H](C)[NH3+])c2cc1Br ZINC000424415020 296507739 /nfs/dbraw/zinc/50/77/39/296507739.db2.gz RUKGIJYVKGWTNN-BDAKNGLRSA-N 2 0 324.222 2.575 20 0 DFADRP Cc1cc(C[NH3+])cc(NC(=O)NCC2(C[NH+](C)C)CCCC2)c1 ZINC000424429869 296509485 /nfs/dbraw/zinc/50/94/85/296509485.db2.gz YDRFLZHJKVUUON-UHFFFAOYSA-N 2 0 318.465 2.697 20 0 DFADRP C[C@@H]([NH2+]CC1(O)CCCC1)c1cccc(OCC[NH+](C)C)c1 ZINC000305146050 543055486 /nfs/dbraw/zinc/05/54/86/543055486.db2.gz RUHSUXYSPGBBQZ-OAHLLOKOSA-N 2 0 306.450 2.583 20 0 DFADRP c1ccc(CN2CC[NH+](Cc3cccc4c3CC[NH2+]C4)CC2)cc1 ZINC000305568032 543058724 /nfs/dbraw/zinc/05/87/24/543058724.db2.gz TYJKNUWKIKMMTK-UHFFFAOYSA-N 2 0 321.468 2.650 20 0 DFADRP C[C@H]([NH2+]CC(C)(C)N1CC[NH+](C)CC1)c1ccc(F)cc1F ZINC000314272810 543068445 /nfs/dbraw/zinc/06/84/45/543068445.db2.gz ANIIGBIFOOYINE-ZDUSSCGKSA-N 2 0 311.420 2.641 20 0 DFADRP Cc1ccccc1-c1noc(CN(C)[C@H]2CCC[NH2+]CC2)n1 ZINC000318937867 543078328 /nfs/dbraw/zinc/07/83/28/543078328.db2.gz RFWPWRWPDQVFRD-AWEZNQCLSA-N 2 0 300.406 2.619 20 0 DFADRP Cc1c(Cl)cccc1NC(=O)CN1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000319516096 543079832 /nfs/dbraw/zinc/07/98/32/543079832.db2.gz BOOUWHNCSOVNNB-GUYCJALGSA-N 2 0 321.852 2.648 20 0 DFADRP c1cnn(-c2ccc(C[N@@H+]3CCC[C@H]([C@H]4CCC[NH2+]4)C3)cc2)c1 ZINC000322151128 543088774 /nfs/dbraw/zinc/08/87/74/543088774.db2.gz ZCLXOXOBEUCOSH-PKOBYXMFSA-N 2 0 310.445 2.836 20 0 DFADRP CC(C)CN(C(=O)CC[N@@H+]1CCCC[C@@H]1C)C1CC[NH+](C)CC1 ZINC000339272519 543142864 /nfs/dbraw/zinc/14/28/64/543142864.db2.gz DTORIVHKEZNBDP-KRWDZBQOSA-N 2 0 323.525 2.830 20 0 DFADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)CC[NH+]2CCCC[C@H]2C)C1 ZINC000339263971 543142916 /nfs/dbraw/zinc/14/29/16/543142916.db2.gz IBNURPYGIDJFRD-FGTMMUONSA-N 2 0 323.525 2.735 20 0 DFADRP C[C@H](C[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1)N1CCc2ccccc2C1 ZINC000339072324 543139972 /nfs/dbraw/zinc/13/99/72/543139972.db2.gz WKAFWRKEDBBEJF-AHRSYUTCSA-N 2 0 313.489 2.650 20 0 DFADRP c1ccc(CCOCCC[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000339070198 543140431 /nfs/dbraw/zinc/14/04/31/543140431.db2.gz ZKGXFBCVNYCIGR-MOPGFXCFSA-N 2 0 302.462 2.852 20 0 DFADRP COc1cccc(O[C@H](C)C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000339068372 543140617 /nfs/dbraw/zinc/14/06/17/543140617.db2.gz GFCQQTNPFOFRMU-OAGGEKHMSA-N 2 0 304.434 2.679 20 0 DFADRP C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)CC[NH+]2CCCC[C@@H]2C)C1 ZINC000339250995 543141781 /nfs/dbraw/zinc/14/17/81/543141781.db2.gz QANLEWJZVZFRLY-SJORKVTESA-N 2 0 323.525 2.878 20 0 DFADRP C[C@H]1CCCC[N@@H+]1CCC(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000339233462 543141811 /nfs/dbraw/zinc/14/18/11/543141811.db2.gz CNRFVRSXMOVXOI-WMZOPIPTSA-N 2 0 317.477 2.670 20 0 DFADRP CCCC[N@@H+]1CCCC[C@H]1CNC(=O)c1ccc2c[nH+]cn2c1 ZINC000339828169 543147064 /nfs/dbraw/zinc/14/70/64/543147064.db2.gz SBRVWIZBNRDAEY-INIZCTEOSA-N 2 0 314.433 2.719 20 0 DFADRP COc1ccc2c(c1)OC[C@@H]([NH2+]C1CC[NH+](CC(C)C)CC1)C2 ZINC000341907214 543158895 /nfs/dbraw/zinc/15/88/95/543158895.db2.gz NFVUGQVDPGJNTO-KRWDZBQOSA-N 2 0 318.461 2.709 20 0 DFADRP C[NH+](C)CCCOc1cnccc1C[NH2+][C@@H]1CC[C@@H]1C1CC1 ZINC000343993150 543170075 /nfs/dbraw/zinc/17/00/75/543170075.db2.gz ROIVPGZAQWLEFA-IAGOWNOFSA-N 2 0 303.450 2.690 20 0 DFADRP OC1CC[NH+](Cc2ccc(C[NH2+][C@H]3CC[C@H]3C3CC3)cc2)CC1 ZINC000348128950 543183275 /nfs/dbraw/zinc/18/32/75/543183275.db2.gz WRFBOBPNQDYJHR-PMACEKPBSA-N 2 0 314.473 2.922 20 0 DFADRP O[C@@H]1CC[N@H+](Cc2ccccc2C[NH2+][C@H]2CC[C@H]2C2CC2)C1 ZINC000348385285 543184756 /nfs/dbraw/zinc/18/47/56/543184756.db2.gz WAOXBLBNPUPJMZ-QYZOEREBSA-N 2 0 300.446 2.531 20 0 DFADRP CC[C@H](C(=O)N[C@@H](C)C[NH+](CC)CC)[N@H+](C)Cc1ccccc1 ZINC000353415565 543235180 /nfs/dbraw/zinc/23/51/80/543235180.db2.gz KRVVZALZJHARPZ-FUHWJXTLSA-N 2 0 319.493 2.744 20 0 DFADRP C[NH+](C)CCC1CC[NH+](Cc2cnn(CC(F)(F)F)c2)CC1 ZINC000352650452 543230976 /nfs/dbraw/zinc/23/09/76/543230976.db2.gz XKVBXHWELMIFSK-UHFFFAOYSA-N 2 0 318.387 2.609 20 0 DFADRP CC(C)[C@@H]1CC[C@H]1[NH2+]Cc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC000353676224 543237824 /nfs/dbraw/zinc/23/78/24/543237824.db2.gz WCGTVOYODJAQSU-GBESFXJTSA-N 2 0 302.462 2.777 20 0 DFADRP CC[NH+](CC)C[C@H](C)N[C@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C ZINC000361154841 543280259 /nfs/dbraw/zinc/28/02/59/543280259.db2.gz QWDVAUAIQPOBPC-LNLFQRSKSA-N 2 0 318.509 2.612 20 0 DFADRP C[C@@H](CCN1CC[NH+](C)CC1)[NH2+][C@@H]1CCCc2sccc21 ZINC000349357591 285845416 /nfs/dbraw/zinc/84/54/16/285845416.db2.gz UMLGITLBNNVERR-GOEBONIOSA-N 2 0 307.507 2.741 20 0 DFADRP [NH3+][C@@H]1CCC[C@@H](NC[C@@H]2CCCC[N@@H+]2Cc2ccccc2)C1 ZINC000379629327 543297507 /nfs/dbraw/zinc/29/75/07/543297507.db2.gz OSWMFUCJLZEVBX-QRVBRYPASA-N 2 0 301.478 2.901 20 0 DFADRP [NH3+][C@@H]1CCC[C@H](NC[C@@H]2CCCC[N@@H+]2Cc2ccccc2)C1 ZINC000379629329 543297532 /nfs/dbraw/zinc/29/75/32/543297532.db2.gz OSWMFUCJLZEVBX-QYZOEREBSA-N 2 0 301.478 2.901 20 0 DFADRP C[C@@H]1C[C@@H](NC[C@H]2CCCC[NH2+]2)CC[N@@H+]1Cc1ccccc1 ZINC000379659411 543297543 /nfs/dbraw/zinc/29/75/43/543297543.db2.gz ZVQFQEOSGLUAPX-NZSAHSFTSA-N 2 0 301.478 2.771 20 0 DFADRP CCn1cncc1C[NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]12 ZINC000383737204 543299432 /nfs/dbraw/zinc/29/94/32/543299432.db2.gz XKYPJBSXJPJKFT-YZGWKJHDSA-N 2 0 324.472 2.903 20 0 DFADRP CC[C@@H]([NH2+]CC(C)(C)N1CC[NH+](C)CC1)c1ccc(F)cc1 ZINC000386430521 543301532 /nfs/dbraw/zinc/30/15/32/543301532.db2.gz QTRURNZQYMVXBN-QGZVFWFLSA-N 2 0 307.457 2.892 20 0 DFADRP [NH3+][C@@H](Cc1ccccc1)[C@@H](O)C[N@@H+]1CCC[C@@H]2CCCC[C@@H]21 ZINC000378904322 543296856 /nfs/dbraw/zinc/29/68/56/543296856.db2.gz JOIVJEWISLZXNZ-VJANTYMQSA-N 2 0 302.462 2.572 20 0 DFADRP C[C@H]([NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccc2[nH]c(=O)[nH]c2c1 ZINC000378903931 543296946 /nfs/dbraw/zinc/29/69/46/543296946.db2.gz YDHJRXOGGUEBHV-IACUBPJLSA-N 2 0 300.406 2.546 20 0 DFADRP C[C@@H]1CCC[C@H](C)[N@H+]1CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000158486015 145218833 /nfs/dbraw/zinc/21/88/33/145218833.db2.gz SAVIXTQJOQDHDB-JZXOWHBKSA-N 2 0 317.477 2.668 20 0 DFADRP CC[N@@H+]1CC[C@@H]([NH2+]Cc2ccc(N3CCCC3=O)cc2)[C@H](C)C1 ZINC000163882717 145223139 /nfs/dbraw/zinc/22/31/39/145223139.db2.gz XIVJWKAKKXBLTP-CRAIPNDOSA-N 2 0 315.461 2.633 20 0 DFADRP C[C@@H]([NH2+]C[C@@H](C1CC1)N(C)C)c1cccc(OCC[NH+](C)C)c1 ZINC000166237793 145234828 /nfs/dbraw/zinc/23/48/28/145234828.db2.gz YPQCOXGKVRZONJ-BEFAXECRSA-N 2 0 319.493 2.618 20 0 DFADRP CCc1ccccc1NC(=O)C[C@H](C)[NH2+][C@@H]1CCC[C@@H]([NH3+])C1 ZINC000414928510 543328120 /nfs/dbraw/zinc/32/81/20/543328120.db2.gz QDBNIBACVGFNDZ-NUEKZKHPSA-N 2 0 303.450 2.826 20 0 DFADRP [NH3+][C@H]1CCC[C@@H]([NH2+]Cc2ccc(F)c(Br)c2)C1 ZINC000414930688 543328196 /nfs/dbraw/zinc/32/81/96/543328196.db2.gz TYINEXYNMQPOSV-WDEREUQCSA-N 2 0 301.203 2.948 20 0 DFADRP COc1cc(C[NH2+][C@@H]2CCC[C@@H]([NH3+])C2)c(SC)cc1OC ZINC000414934624 543328205 /nfs/dbraw/zinc/32/82/05/543328205.db2.gz YBCZRHLLWVIPDY-CHWSQXEVSA-N 2 0 310.463 2.785 20 0 DFADRP C[C@H]([NH2+]CC1(N2CCCCC2)CC[NH+](C)CC1)c1cccnc1 ZINC000174252969 145374179 /nfs/dbraw/zinc/37/41/79/145374179.db2.gz QXULAZZSFWNBBP-KRWDZBQOSA-N 2 0 316.493 2.683 20 0 DFADRP C[C@@H](C(=O)N1CCC(C)([NH+]2CCCC2)CC1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000633943132 399963292 /nfs/dbraw/zinc/96/32/92/399963292.db2.gz CPHZAKVURRZEAO-BBWFWOEESA-N 2 0 321.509 2.725 20 0 DFADRP C[NH+]1CCC(CC[NH2+]Cc2ccncc2Br)CC1 ZINC000631065768 399972983 /nfs/dbraw/zinc/97/29/83/399972983.db2.gz SOKIKKOTTJGFOC-UHFFFAOYSA-N 2 0 312.255 2.666 20 0 DFADRP CCCN(C(=O)c1ccc(-c2c[nH]cn2)cc1)[C@H]1CC[N@H+](C)C1 ZINC000633552370 399917033 /nfs/dbraw/zinc/91/70/33/399917033.db2.gz OLBZXELVYKWFFQ-INIZCTEOSA-N 2 0 312.417 2.633 20 0 DFADRP Cc1ccc([C@H](C)C[NH2+]C[C@H](C(C)C)N2CC[NH+](C)CC2)cc1 ZINC000628201509 400000481 /nfs/dbraw/zinc/00/04/81/400000481.db2.gz IJUJVLRJGKFNEZ-UYAOXDASSA-N 2 0 317.521 2.960 20 0 DFADRP Cc1c(C[NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)cnn1C ZINC000631196186 400001648 /nfs/dbraw/zinc/00/16/48/400001648.db2.gz OHYXLRCQMHCIHM-BEFAXECRSA-N 2 0 312.461 2.586 20 0 DFADRP Cc1ccc([C@H](C)C[NH2+]C[C@H](C)CN2CC[NH+](C)CC2)cc1 ZINC000628213394 400002646 /nfs/dbraw/zinc/00/26/46/400002646.db2.gz JDPJLIRMEHKGDN-ZWKOTPCHSA-N 2 0 303.494 2.572 20 0 DFADRP Cc1ccc([C@H](C)C[NH2+][C@H]2CCN(C3CC[NH+](C)CC3)C2)cc1 ZINC000628214882 400003127 /nfs/dbraw/zinc/00/31/27/400003127.db2.gz QIYPKZNECNFXPH-MJGOQNOKSA-N 2 0 315.505 2.857 20 0 DFADRP c1cc(C[NH2+]Cc2cccc3c2CCOC3)n(-c2cc[nH+]cc2)n1 ZINC000631243803 400011796 /nfs/dbraw/zinc/01/17/96/400011796.db2.gz PRSPRQKYQHBJQB-UHFFFAOYSA-N 2 0 320.396 2.630 20 0 DFADRP C[NH+]1CCC([C@@H]2CC[N@H+](Cc3cnc4ccccc4n3)C2)CC1 ZINC000628279852 400012850 /nfs/dbraw/zinc/01/28/50/400012850.db2.gz CQFAQSIMWZMEFC-MRXNPFEDSA-N 2 0 310.445 2.794 20 0 DFADRP C[C@H]([NH2+]CC1CC[NH+](C2CCOCC2)CC1)C1CC(F)(F)C1 ZINC000628337082 400022352 /nfs/dbraw/zinc/02/23/52/400022352.db2.gz WGFNHWRAZAJLSS-ZDUSSCGKSA-N 2 0 316.436 2.901 20 0 DFADRP CCO[C@@H](CC[NH+](C)C)C[NH2+][C@@H]1CCc2cc(OC)ccc21 ZINC000631586804 400055404 /nfs/dbraw/zinc/05/54/04/400055404.db2.gz JTSBJZIADNRSRZ-FUHWJXTLSA-N 2 0 306.450 2.629 20 0 DFADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C[NH2+][C@H]1CCCOCC1 ZINC000631665768 400064023 /nfs/dbraw/zinc/06/40/23/400064023.db2.gz XQTMSZSQPQTOHT-QRQLOZEOSA-N 2 0 302.462 2.913 20 0 DFADRP OC[C@H]1C[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC000631670992 400064563 /nfs/dbraw/zinc/06/45/63/400064563.db2.gz UCFHRNNTWGQBQZ-ZCHBJMIBSA-N 2 0 300.446 2.543 20 0 DFADRP OC[C@H]1C[C@@H]([NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC000631670991 400064569 /nfs/dbraw/zinc/06/45/69/400064569.db2.gz UCFHRNNTWGQBQZ-DQCOHUIHSA-N 2 0 300.446 2.543 20 0 DFADRP C[C@@H]([NH2+][C@H]1C[C@@H](C)O[C@@H]1C)c1cccc(OCC[NH+](C)C)c1 ZINC000631700928 400068279 /nfs/dbraw/zinc/06/82/79/400068279.db2.gz LMCNHMOPDHFFGO-ADAWSYLGSA-N 2 0 306.450 2.844 20 0 DFADRP C[N@@H+]1CC[C@H]([NH2+]Cc2cccc3c2CCOC3)[C@H]2CCC[C@H]21 ZINC000631732584 400070845 /nfs/dbraw/zinc/07/08/45/400070845.db2.gz LLLKLUYDZGNJTF-CEXWTWQISA-N 2 0 300.446 2.722 20 0 DFADRP C[C@@H](Cc1ccccc1)[NH+]1CCC([NH2+][C@@H]2CCCC[C@@H]2O)CC1 ZINC000631808730 400076926 /nfs/dbraw/zinc/07/69/26/400076926.db2.gz AZAMAEBZGBSEEC-DBVUQKKJSA-N 2 0 316.489 2.975 20 0 DFADRP Cc1cc(C)c(C[NH+]2CCC([C@@H]3C[C@@H]([NH3+])CCO3)CC2)c(C)n1 ZINC000631828348 400078058 /nfs/dbraw/zinc/07/80/58/400078058.db2.gz MKUWGEFUPBMBDV-HKUYNNGSSA-N 2 0 317.477 2.725 20 0 DFADRP c1cc(C[NH+]2CCC([C@H]3CCC[NH2+]3)CC2)c2c(c1)COCC2 ZINC000631827616 400078071 /nfs/dbraw/zinc/07/80/71/400078071.db2.gz ROYWYFKUWWAPPS-LJQANCHMSA-N 2 0 300.446 2.723 20 0 DFADRP [NH3+]C[C@@H]1C[N@H+](C[C@H]2CCC(F)(F)C2)CC[C@@H]1C(F)(F)F ZINC000631830108 400078335 /nfs/dbraw/zinc/07/83/35/400078335.db2.gz KDOMFJATXNUPGQ-AXFHLTTASA-N 2 0 300.315 2.881 20 0 DFADRP C[C@H]1C[N@H+](Cc2ccc(OCc3ccccn3)cc2)C[C@H]1C[NH3+] ZINC000631839626 400078838 /nfs/dbraw/zinc/07/88/38/400078838.db2.gz IQJIPHINFOBDGT-DOTOQJQBSA-N 2 0 311.429 2.687 20 0 DFADRP C[C@@H]1C[N@H+](Cc2ccccc2OCC(F)(F)F)C[C@H]1C[NH3+] ZINC000631841192 400078993 /nfs/dbraw/zinc/07/89/93/400078993.db2.gz ZLVAUZXYOYIHHS-DGCLKSJQSA-N 2 0 302.340 2.654 20 0 DFADRP C[C@H]1C[N@H+](Cc2ccc(OCC(F)(F)F)cc2)C[C@@H]1C[NH3+] ZINC000631840040 400079049 /nfs/dbraw/zinc/07/90/49/400079049.db2.gz OVDPKKSGQUZIOI-AAEUAGOBSA-N 2 0 302.340 2.654 20 0 DFADRP C[C@@H]1C[N@H+](Cc2ccc(OCc3ccccn3)cc2)C[C@@H]1C[NH3+] ZINC000631839629 400079077 /nfs/dbraw/zinc/07/90/77/400079077.db2.gz IQJIPHINFOBDGT-WBVHZDCISA-N 2 0 311.429 2.687 20 0 DFADRP Cc1ccc2[nH]c(C[NH2+]C[C@H](C)N3CC[NH+](C)CC3)cc2c1C ZINC000349634809 285903186 /nfs/dbraw/zinc/90/31/86/285903186.db2.gz WRVNOCRCYQBAQU-HNNXBMFYSA-N 2 0 314.477 2.510 20 0 DFADRP C[C@@H]1COCC[C@H]1[NH2+]CC1CC[NH+](Cc2cccs2)CC1 ZINC000192520731 145924432 /nfs/dbraw/zinc/92/44/32/145924432.db2.gz LQNJHXHICZXZCA-RHSMWYFYSA-N 2 0 308.491 2.975 20 0 DFADRP C[C@@H]([NH2+]CCOCC[NH+](C)C)c1cccc(Br)c1 ZINC000219316408 146001029 /nfs/dbraw/zinc/00/10/29/146001029.db2.gz OIQYJSVZCCOLGU-GFCCVEGCSA-N 2 0 315.255 2.678 20 0 DFADRP C[C@@H]([NH2+]CCOCC[NH+](C)C)c1ccccc1Br ZINC000219314133 146000083 /nfs/dbraw/zinc/00/00/83/146000083.db2.gz IOVGFPWTOFQCTQ-GFCCVEGCSA-N 2 0 315.255 2.678 20 0 DFADRP C[C@@H]([NH2+]CCOCC[NH+](C)C)c1ccc(C(F)(F)F)cc1 ZINC000219315225 146000402 /nfs/dbraw/zinc/00/04/02/146000402.db2.gz RYCPLPUHWZLQNE-GFCCVEGCSA-N 2 0 304.356 2.934 20 0 DFADRP CC1(C[NH2+]CCCN2CC[NH+](Cc3ccccc3)CC2)CCC1 ZINC000434757260 543349547 /nfs/dbraw/zinc/34/95/47/543349547.db2.gz PILBMINOYGKGNW-UHFFFAOYSA-N 2 0 315.505 2.974 20 0 DFADRP C[C@@H]1C[C@H](N(C)C(=O)CC(C)(C)[NH3+])CC[N@@H+]1Cc1ccccc1 ZINC000237378447 146042580 /nfs/dbraw/zinc/04/25/80/146042580.db2.gz MSJCBFGLZRXRNE-NVXWUHKLSA-N 2 0 317.477 2.625 20 0 DFADRP C[C@]1(C(=O)N2CCC[C@H](C[NH+]3CCCCCC3)C2)CCCC[NH2+]1 ZINC000237794649 146052818 /nfs/dbraw/zinc/05/28/18/146052818.db2.gz DBBYWGGAODXDAH-IEBWSBKVSA-N 2 0 321.509 2.633 20 0 DFADRP CCCC[NH+]1CCC(NC(=O)[C@H](C)[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC000245202850 146063195 /nfs/dbraw/zinc/06/31/95/146063195.db2.gz WMCUAAQHAAZTFQ-OAGGEKHMSA-N 2 0 309.498 2.628 20 0 DFADRP CC[N@@H+]1CC[C@H](N(C)Cc2nnc(-c3ccccc3)o2)[C@@H](C)C1 ZINC000245422038 146068618 /nfs/dbraw/zinc/06/86/18/146068618.db2.gz IKNPVGIQDQMLQA-HOCLYGCPSA-N 2 0 314.433 2.899 20 0 DFADRP C[C@H](O)C[NH+]1CCC(C[N@H+](C)Cc2ccc([C@@H]3C[C@@H]3C)o2)CC1 ZINC000245745783 146099729 /nfs/dbraw/zinc/09/97/29/146099729.db2.gz MRYSHNDXXNEZOT-RLFYNMQTSA-N 2 0 320.477 2.928 20 0 DFADRP c1ccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@H]([NH2+]C[C@@H]2CCCO2)C3)cc1 ZINC000245784370 146102924 /nfs/dbraw/zinc/10/29/24/146102924.db2.gz ZIVJNZVFJWCHRS-OKYOBFRVSA-N 2 0 300.446 2.951 20 0 DFADRP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](CCCn2ccnc2)C1 ZINC000245854919 146105337 /nfs/dbraw/zinc/10/53/37/146105337.db2.gz HDJXZCYHHVSADQ-MSOLQXFVSA-N 2 0 304.482 2.860 20 0 DFADRP COc1ccccc1N1CC[C@H](C[NH2+][C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC000247085078 146159787 /nfs/dbraw/zinc/15/97/87/146159787.db2.gz RDXPZZADBCRWDS-BBWFWOEESA-N 2 0 317.477 2.594 20 0 DFADRP CC[N@@H+]1CC[C@H]([NH2+][C@H]2CCN(c3c(F)cccc3F)C2)[C@H](C)C1 ZINC000247090518 146160325 /nfs/dbraw/zinc/16/03/25/146160325.db2.gz NZDDAHPSMDWEQE-KEYYUXOJSA-N 2 0 323.431 2.863 20 0 DFADRP FC(F)COCC[NH2+][C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000249032361 146182602 /nfs/dbraw/zinc/18/26/02/146182602.db2.gz LTLXIWDBRLAGHY-GVDBMIGSSA-N 2 0 324.415 2.768 20 0 DFADRP CC[C@@H](CO)[NH2+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000249183565 146191538 /nfs/dbraw/zinc/19/15/38/146191538.db2.gz JKESBSOVORLJMF-FCGDIQPGSA-N 2 0 302.462 2.648 20 0 DFADRP C[C@H]([NH2+][C@@H]1CCC[C@H]1C[NH3+])[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000261552918 146239224 /nfs/dbraw/zinc/23/92/24/146239224.db2.gz SBQIGKBVABRWSI-DSLXNQLJSA-N 3 0 301.478 2.614 20 0 DFADRP CN(C[C@@]1(C)CC[NH2+]C1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000261556867 146240773 /nfs/dbraw/zinc/24/07/73/146240773.db2.gz WKTDUAYPOWOTBJ-IBGZPJMESA-N 2 0 301.478 2.582 20 0 DFADRP C[C@H](Cc1ccc(Br)cc1)[NH2+][C@H]1CC[NH2+]C[C@H]1C ZINC000261584736 146242229 /nfs/dbraw/zinc/24/22/29/146242229.db2.gz SOOWNLMSKUIZPI-JMSVASOKSA-N 2 0 311.267 2.968 20 0 DFADRP C[C@]1(C[NH3+])CCN(Cc2csc(Cc3ccccc3)n2)C1 ZINC000261602437 146243513 /nfs/dbraw/zinc/24/35/13/146243513.db2.gz AAZVHDUWZXBQCS-QGZVFWFLSA-N 2 0 301.459 2.905 20 0 DFADRP Cc1oc(-c2cccs2)nc1CN1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000261601874 146244406 /nfs/dbraw/zinc/24/44/06/146244406.db2.gz BXMPCGUPIQRKBC-CHWSQXEVSA-N 2 0 303.431 2.753 20 0 DFADRP CC[C@H](C)c1ccc(NC(=O)CN2CC[C@@](C)(C[NH3+])C2)cc1 ZINC000261632485 146251313 /nfs/dbraw/zinc/25/13/13/146251313.db2.gz FLYAAIGVLXFZNC-KSSFIOAISA-N 2 0 303.450 2.809 20 0 DFADRP C[C@@H]1CN(CCC(=O)Nc2cc(Cl)ccc2Cl)C[C@H]1[NH3+] ZINC000261632329 146251390 /nfs/dbraw/zinc/25/13/90/146251390.db2.gz CVNFMOUTXRXRPN-BXKDBHETSA-N 2 0 316.232 2.601 20 0 DFADRP C[C@@H](c1ccc(F)c(Cl)c1)[N@@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000261641487 146252824 /nfs/dbraw/zinc/25/28/24/146252824.db2.gz IQFQZJLRZGBPPL-GXTWGEPZSA-N 2 0 311.832 2.520 20 0 DFADRP [NH3+]C[C@@H]1CN(Cc2ccncc2Cl)C[C@H]1c1ccccc1 ZINC000261673467 146258257 /nfs/dbraw/zinc/25/82/57/146258257.db2.gz HTFQOBDWQZEPAS-CVEARBPZSA-N 2 0 301.821 2.909 20 0 DFADRP Cc1ccc(C(=O)NCC[NH2+][C@@H](C)C[C@@H]2CCCCC[NH2+]2)cc1 ZINC000261682060 146259180 /nfs/dbraw/zinc/25/91/80/146259180.db2.gz IHSNLTVSPKALRK-WMZOPIPTSA-N 2 0 317.477 2.625 20 0 DFADRP Cc1c(Cl)cccc1NC(=O)[C@H](C)N1CC[C@](C)(C[NH3+])C1 ZINC000261719815 146265210 /nfs/dbraw/zinc/26/52/10/146265210.db2.gz NHDDDJYRSMEGSO-BLLLJJGKSA-N 2 0 309.841 2.646 20 0 DFADRP CC[NH+](CC)Cc1cccc(NC(=O)[C@@H]2CCC[C@@H]2C[NH3+])c1 ZINC000261748954 146270617 /nfs/dbraw/zinc/27/06/17/146270617.db2.gz MLVKLFOINZDWMO-NVXWUHKLSA-N 2 0 303.450 2.842 20 0 DFADRP C[NH2+]CCC1CC[NH+](CC(=O)N(C)[C@H](C)c2ccccc2)CC1 ZINC000261754717 146270699 /nfs/dbraw/zinc/27/06/99/146270699.db2.gz PIIRJOVCIFEJPQ-MRXNPFEDSA-N 2 0 317.477 2.528 20 0 DFADRP O=C(C[C@@H]1CCC[N@@H+]1C[C@H]1CCC[NH2+]C1)c1ccc(F)cc1 ZINC000261751425 146270786 /nfs/dbraw/zinc/27/07/86/146270786.db2.gz CEQCDPYLOXJQDZ-YOEHRIQHSA-N 2 0 304.409 2.863 20 0 DFADRP CC[C@H](c1ccc(Cl)cc1)[N@@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000261772108 146273530 /nfs/dbraw/zinc/27/35/30/146273530.db2.gz WEQJVOCDZYSSLM-IAGOWNOFSA-N 2 0 307.869 2.771 20 0 DFADRP [NH3+]C[C@@H]1CCCC[C@@H]1Nc1ncnc2c1cnn2-c1ccccc1 ZINC000261791604 146277981 /nfs/dbraw/zinc/27/79/81/146277981.db2.gz YZFBEUXFIBWOAA-BBRMVZONSA-N 2 0 322.416 2.745 20 0 DFADRP COc1ccc(C[NH+]2CCC([C@H](C)[NH3+])CC2)cc1OC(F)F ZINC000261819519 146283244 /nfs/dbraw/zinc/28/32/44/146283244.db2.gz AORVFFOCXZEBIA-NSHDSACASA-N 2 0 314.376 2.856 20 0 DFADRP Fc1ccc2c(c1)CCN2C1CC[NH+](C[C@@H]2CCC[NH2+]C2)CC1 ZINC000261844366 146287291 /nfs/dbraw/zinc/28/72/91/146287291.db2.gz SGRIMRRVKQVDOJ-OAHLLOKOSA-N 2 0 317.452 2.652 20 0 DFADRP C[NH2+]CC1CC[NH+](Cc2coc(-c3cccc(F)c3)n2)CC1 ZINC000261852857 146289124 /nfs/dbraw/zinc/28/91/24/146289124.db2.gz DQAKEESTTXDMGH-UHFFFAOYSA-N 2 0 303.381 2.912 20 0 DFADRP CC(C)c1cccc(NC(=O)CN2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)c1 ZINC000261863932 146290683 /nfs/dbraw/zinc/29/06/83/146290683.db2.gz KOLNAQVSFYVDOO-JQHSSLGASA-N 2 0 315.461 2.808 20 0 DFADRP CO[C@@]1(C)C[C@@H]([NH2+]C2CCN(c3cc[nH+]cc3)CC2)C1(C)C ZINC000297334673 285925196 /nfs/dbraw/zinc/92/51/96/285925196.db2.gz DAUQDWSZWTWKSN-AEFFLSMTSA-N 2 0 303.450 2.844 20 0 DFADRP c1cc(C[NH+]2CCC([C@H]3CCC[NH2+]3)CC2)n(-c2ccccc2)n1 ZINC000261920601 146301915 /nfs/dbraw/zinc/30/19/15/146301915.db2.gz KLZDRKJABZOVKU-LJQANCHMSA-N 2 0 310.445 2.836 20 0 DFADRP CC(C)c1cccc(NC(=O)C[NH+]2CCC([C@H](C)[NH3+])CC2)c1 ZINC000261923543 146302915 /nfs/dbraw/zinc/30/29/15/146302915.db2.gz IFSYJSMIMRYCHQ-AWEZNQCLSA-N 2 0 303.450 2.808 20 0 DFADRP c1ccc(CC[N@@H+](Cc2cccnc2)CC2CC[NH2+]CC2)nc1 ZINC000261929421 146304454 /nfs/dbraw/zinc/30/44/54/146304454.db2.gz LHUWPFAKJIFDSJ-UHFFFAOYSA-N 2 0 310.445 2.521 20 0 DFADRP Cc1nc2ccccc2n1C[C@H]1CCC[N@@H+]1C[C@@H]1CCC[NH2+]C1 ZINC000261929633 146304603 /nfs/dbraw/zinc/30/46/03/146304603.db2.gz LKJRHZVGGIBABO-IAGOWNOFSA-N 3 0 312.461 2.809 20 0 DFADRP CCN(C)c1ccc(CN2CCC([NH2+]CC3CC3)CC2)cn1 ZINC000261939144 146306158 /nfs/dbraw/zinc/30/61/58/146306158.db2.gz MKVCCQMNQFYUBZ-UHFFFAOYSA-N 2 0 302.466 2.502 20 0 DFADRP COc1ccc(C[N@@H+]2CCCC[C@@H]2CC[NH3+])cc1OC(F)F ZINC000261937465 146306180 /nfs/dbraw/zinc/30/61/80/146306180.db2.gz KPILSPBLCNHNSK-CYBMUJFWSA-N 2 0 314.376 3.000 20 0 DFADRP CN(Cc1cc(Cl)c2c(c1)OCCO2)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000261937555 146306205 /nfs/dbraw/zinc/30/62/05/146306205.db2.gz KREYULMORYTLHH-PBWFPOADSA-N 2 0 322.836 2.826 20 0 DFADRP CC(C)c1ccccc1NC(=O)CN1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000261942419 146306962 /nfs/dbraw/zinc/30/69/62/146306962.db2.gz UXUKOFFOAYIZNY-UAGQMJEPSA-N 2 0 315.461 2.808 20 0 DFADRP CCCOc1ccc(OCC[N@@H+]2CCC[C@@H](CC[NH3+])C2)cc1 ZINC000261946292 146307225 /nfs/dbraw/zinc/30/72/25/146307225.db2.gz MHRNOWKGAWSSGG-INIZCTEOSA-N 2 0 306.450 2.915 20 0 DFADRP [NH3+][C@@H]1CCC[C@@H]2CN(Cc3nc4ccc(F)cc4s3)C[C@@H]21 ZINC000261952953 146308569 /nfs/dbraw/zinc/30/85/69/146308569.db2.gz OEJHMGSSAFOABE-KGYLQXTDSA-N 2 0 305.422 2.995 20 0 DFADRP C[NH2+]CCC1CC[NH+](Cc2ccnn2-c2ccc(F)cc2)CC1 ZINC000261965432 146311745 /nfs/dbraw/zinc/31/17/45/146311745.db2.gz PSOGUZSWBSIDRC-UHFFFAOYSA-N 2 0 316.424 2.833 20 0 DFADRP c1nc(-c2ccncc2)sc1C[N@@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000261980341 146315098 /nfs/dbraw/zinc/31/50/98/146315098.db2.gz JCSGUUYVMONWDN-UHFFFAOYSA-N 2 0 314.458 2.781 20 0 DFADRP Cc1ccc2c(C[N@H+]3CCC[C@H]([C@@H](C)[NH3+])C3)cc(=O)oc2c1 ZINC000261983851 146315996 /nfs/dbraw/zinc/31/59/96/146315996.db2.gz RTMHQVYLDUDYHF-KGLIPLIRSA-N 2 0 300.402 2.661 20 0 DFADRP Cn1ccnc1C[N@H+](CCC(C)(C)C)[C@@H]1CC12CC[NH2+]CC2 ZINC000262018927 146323738 /nfs/dbraw/zinc/32/37/38/146323738.db2.gz VZJPYLYFEBINOK-OAHLLOKOSA-N 2 0 304.482 2.800 20 0 DFADRP COc1cc(C[N@@H+]2CCCC[C@H]2CC[NH3+])ccc1OC(F)F ZINC000262020018 146324107 /nfs/dbraw/zinc/32/41/07/146324107.db2.gz XNGPTQRSQVOBGJ-ZDUSSCGKSA-N 2 0 314.376 3.000 20 0 DFADRP COc1ccc(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)cc1OC ZINC000262116008 146335987 /nfs/dbraw/zinc/33/59/87/146335987.db2.gz KFANCDYHXYTDJR-BZUAXINKSA-N 2 0 304.434 2.714 20 0 DFADRP Cc1ccc2c(C[N@@H+](C)[C@H]3CCC[NH2+]CC3)cc(=O)oc2c1 ZINC000262409269 146357718 /nfs/dbraw/zinc/35/77/18/146357718.db2.gz CXLPNIRXXRTDGL-HNNXBMFYSA-N 2 0 300.402 2.675 20 0 DFADRP CC(C)c1ccc([C@@H]([NH3+])CNC(=O)[C@H]([NH3+])c2ccccc2)cc1 ZINC000262445889 146359859 /nfs/dbraw/zinc/35/98/59/146359859.db2.gz PLPUKPRFXCKXJG-ZWKOTPCHSA-N 2 0 311.429 2.626 20 0 DFADRP CC(C)c1ccc([C@H]([NH3+])CNC(=O)[C@@H]([NH3+])c2ccccc2)cc1 ZINC000262445878 146360017 /nfs/dbraw/zinc/36/00/17/146360017.db2.gz PLPUKPRFXCKXJG-MSOLQXFVSA-N 2 0 311.429 2.626 20 0 DFADRP C[C@H](CNC(=O)C1C[C@H]2CCC[C@@H](C1)C2[NH3+])[N@@H+]1CCCC[C@H]1C ZINC000262437190 146360205 /nfs/dbraw/zinc/36/02/05/146360205.db2.gz ULSUREPAFGNAGS-XKTBZMPXSA-N 2 0 321.509 2.519 20 0 DFADRP C[C@H](C(=O)N[C@H]1CCC[C@@H](C)[C@H]1C)[NH+]1CCC(C[NH+](C)C)CC1 ZINC000354451728 147041870 /nfs/dbraw/zinc/04/18/70/147041870.db2.gz GZQTUZWEJZDXCF-KONPQCLYSA-N 2 0 323.525 2.589 20 0 DFADRP CC[C@@H]1C[C@@H](C[N@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3CCOC)CCO1 ZINC000354509586 147062561 /nfs/dbraw/zinc/06/25/61/147062561.db2.gz YCWAAGYZGDZUKX-QRXAFDDPSA-N 2 0 324.509 2.765 20 0 DFADRP COc1ccc2c(c1)OC[C@@H]([NH2+]CCCc1ccc(C)nc1)C2 ZINC000354550461 147075209 /nfs/dbraw/zinc/07/52/09/147075209.db2.gz ORHNGXOITBNDCZ-KRWDZBQOSA-N 2 0 312.413 2.925 20 0 DFADRP CC(C)[C@@H](C(=O)NC[C@H](C)[N@@H+]1CCC[C@@H](C)C1)[NH+]1CCCCC1 ZINC000354632310 147097949 /nfs/dbraw/zinc/09/79/49/147097949.db2.gz LYTHRPVNRUVCSL-SQNIBIBYSA-N 2 0 323.525 2.734 20 0 DFADRP CC(C)[C@H](C(=O)NC[C@@H](C)[N@@H+]1CCCC[C@@H]1C)[NH+]1CCCCC1 ZINC000354661320 147108657 /nfs/dbraw/zinc/10/86/57/147108657.db2.gz NTXMIMSYLQDTHO-RCCFBDPRSA-N 2 0 323.525 2.876 20 0 DFADRP CC(C)[C@@H](C(=O)N[C@H](C)C[N@@H+]1CCC[C@@H](C)C1)[NH+]1CCCCC1 ZINC000354736546 147134040 /nfs/dbraw/zinc/13/40/40/147134040.db2.gz SOHVPCPWOQZONQ-KURKYZTESA-N 2 0 323.525 2.734 20 0 DFADRP C[NH+](C)CCOc1ccc(CC[NH2+][C@@H]2CC[C@@H]2C2CC2)cc1 ZINC000516673030 543424239 /nfs/dbraw/zinc/42/42/39/543424239.db2.gz IBWXOBVZHAUXEL-RTBURBONSA-N 2 0 302.462 2.948 20 0 DFADRP FC(F)(F)C1CCN(C2CC([NH2+]C[C@@H]3CCCOC3)C2)CC1 ZINC000355335661 147271736 /nfs/dbraw/zinc/27/17/36/147271736.db2.gz ULDFKIYIFSIUNE-GRTSSRMGSA-N 2 0 320.399 2.808 20 0 DFADRP CC[N@@H+]1CC[C@@H](N(C)Cc2cc3c(cc2OC)OCO3)[C@@H](C)C1 ZINC000355359638 147282782 /nfs/dbraw/zinc/28/27/82/147282782.db2.gz SDHSMLZFPLIANQ-DZGCQCFKSA-N 2 0 320.433 2.586 20 0 DFADRP CC[N@H+](C)Cc1cccc(CNC(=O)C[NH+]2[C@H](C)CC[C@H]2C)c1 ZINC000355410761 147305946 /nfs/dbraw/zinc/30/59/46/147305946.db2.gz KPQJWCSDRDEWPA-HZPDHXFCSA-N 2 0 317.477 2.627 20 0 DFADRP [NH3+][C@@H]1C[C@H]([NH2+]CCNc2ccc3ccccc3n2)c2ccccc21 ZINC000576744525 543454129 /nfs/dbraw/zinc/45/41/29/543454129.db2.gz PSQBIYXCRVPRCT-MJGOQNOKSA-N 2 0 318.424 3.381 20 0 DFADRP C[C@@H](O)C[N@H+](C)C1CC[NH+]([C@@H]2CCCc3ccccc32)CC1 ZINC000357635819 148065164 /nfs/dbraw/zinc/06/51/64/148065164.db2.gz KCSSPJLOYWXYSE-DNVCBOLYSA-N 2 0 302.462 2.841 20 0 DFADRP COCCCOc1cccc(C[NH+]2CCC(C[NH+](C)C)CC2)c1 ZINC000350174552 286014976 /nfs/dbraw/zinc/01/49/76/286014976.db2.gz CKUDCZPFVRCBOJ-UHFFFAOYSA-N 2 0 320.477 2.876 20 0 DFADRP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)[C@]2(C)CCCC[NH2+]2)C1 ZINC000357787214 148122914 /nfs/dbraw/zinc/12/29/14/148122914.db2.gz GKPGXPCSVBVQEB-LMMKCTJWSA-N 2 0 321.509 2.632 20 0 DFADRP CC(C)(C[NH2+]C1CCN(C(=O)C(C)(C)C)CC1)C[NH+]1CCCC1 ZINC000357835555 148141738 /nfs/dbraw/zinc/14/17/38/148141738.db2.gz PPKLSOYKEDBKQA-UHFFFAOYSA-N 2 0 323.525 2.735 20 0 DFADRP CCO[C@@H]1C[C@H]([NH2+]CC(C)(C)C[NH+]2CCCC2)C12CCOCC2 ZINC000357847654 148147776 /nfs/dbraw/zinc/14/77/76/148147776.db2.gz JNLBXJCVCWEVOI-DLBZAZTESA-N 2 0 324.509 2.672 20 0 DFADRP Cc1ccccc1[C@H]([C@@H](C)NC(=O)[C@@H](C(C)C)[NH+](C)C)[NH+](C)C ZINC000357867812 148156097 /nfs/dbraw/zinc/15/60/97/148156097.db2.gz KOJJIYVHZXPXAO-NXHRZFHOSA-N 2 0 319.493 2.689 20 0 DFADRP CSc1ccc(OCC[N@@H+]2CCC[C@H]3C[NH2+]CC[C@@H]32)cc1 ZINC000631887591 543488844 /nfs/dbraw/zinc/48/88/44/543488844.db2.gz PEFXATZKAATOIR-YOEHRIQHSA-N 2 0 306.475 2.861 20 0 DFADRP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]CCCC(=O)Nc1ccc(Cl)cc1 ZINC000358013160 148212164 /nfs/dbraw/zinc/21/21/64/148212164.db2.gz JASNKDNSSPTCMH-CJNGLKHVSA-N 2 0 323.868 2.989 20 0 DFADRP C[C@@H]1CN(C)C[C@H]1[NH2+]Cc1cc(Cl)c2c(c1)OCCCO2 ZINC000358056661 148228591 /nfs/dbraw/zinc/22/85/91/148228591.db2.gz DVAOTBJGBSFTAX-BXUZGUMPSA-N 2 0 310.825 2.541 20 0 DFADRP C(Cc1nc2c(s1)CCCC2)[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000358151087 148261215 /nfs/dbraw/zinc/26/12/15/148261215.db2.gz BZUQSCBQZIAZOJ-KBPBESRZSA-N 2 0 305.491 2.781 20 0 DFADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]CC(C)(C)C[C@H](C)O)[C@@H](C)C1 ZINC000358168856 148267894 /nfs/dbraw/zinc/26/78/94/148267894.db2.gz OBTFXQPAMJNVRQ-ULQDDVLXSA-N 2 0 314.514 2.510 20 0 DFADRP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]CCc1nc2ccccc2n1C(F)F ZINC000358168954 148268125 /nfs/dbraw/zinc/26/81/25/148268125.db2.gz OLPBYULNXZBRGM-OLZOCXBDSA-N 2 0 322.403 2.904 20 0 DFADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CCc2ccncc2C)[C@@H](C)C1 ZINC000358253401 148306075 /nfs/dbraw/zinc/30/60/75/148306075.db2.gz OZNJBOKZOKVNSD-PKOBYXMFSA-N 2 0 319.493 2.659 20 0 DFADRP C[C@@H]([NH2+]CC1(CCO)CCC1)c1cccc(OCC[NH+](C)C)c1 ZINC000358317075 148326354 /nfs/dbraw/zinc/32/63/54/148326354.db2.gz KASKEKZCDAFOFJ-MRXNPFEDSA-N 2 0 320.477 2.830 20 0 DFADRP CC[NH+](CC)CCOCC[NH2+]Cc1cccc2c1OC(C)(C)C2 ZINC000350324885 286028648 /nfs/dbraw/zinc/02/86/48/286028648.db2.gz YIPAOCWEUHSEBX-UHFFFAOYSA-N 2 0 320.477 2.848 20 0 DFADRP C[NH+](C)Cc1ccc(-c2noc([C@@H]3CCC[C@@H]([NH3+])C3)n2)cc1 ZINC000350723901 286077710 /nfs/dbraw/zinc/07/77/10/286077710.db2.gz FXYAMJZSKRSSBJ-HUUCEWRRSA-N 2 0 300.406 2.783 20 0 DFADRP CCN(Cc1nc2c(s1)C[N@@H+](C(C)C)CC2)C[C@@H](C)OC ZINC000361022156 149010111 /nfs/dbraw/zinc/01/01/11/149010111.db2.gz KCJYWRWSZBNQRI-CYBMUJFWSA-N 2 0 311.495 2.766 20 0 DFADRP CC(C)(C)[C@@H]1CCCC[C@@H]1[NH2+]CCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000361184867 149050072 /nfs/dbraw/zinc/05/00/72/149050072.db2.gz YRONTCHUSUWNBH-ZACQAIPSSA-N 2 0 323.525 2.768 20 0 DFADRP CCC[N@@H+]1CCC[C@@H]1C(=O)Nc1cc(C[NH+](C)C)ccc1C ZINC000361194958 149051505 /nfs/dbraw/zinc/05/15/05/149051505.db2.gz DWZOSZMIGABSGN-QGZVFWFLSA-N 2 0 303.450 2.870 20 0 DFADRP COc1ccc(C(C)(C)C[NH2+][C@@H]2CC[N@H+](C)C[C@H]2C)cc1OC ZINC000361227493 149060047 /nfs/dbraw/zinc/06/00/47/149060047.db2.gz GDJOCBNUPABGLH-GDBMZVCRSA-N 2 0 320.477 2.911 20 0 DFADRP CSC(C)(C)C[NH2+][C@@H]1CC[N@H+](C[C@H]2CCCO2)C[C@@H]1C ZINC000361240719 149063508 /nfs/dbraw/zinc/06/35/08/149063508.db2.gz QNRWSIHZMYYKSZ-RRFJBIMHSA-N 2 0 300.512 2.607 20 0 DFADRP CC[N@@H+](CC(=O)NC[C@H](c1ccccc1)[NH+](C)C)CC1CCC1 ZINC000361480934 149126643 /nfs/dbraw/zinc/12/66/43/149126643.db2.gz HWZWADDZJYYDTK-GOSISDBHSA-N 2 0 317.477 2.528 20 0 DFADRP CCCOc1ccc([C@H](C)[NH2+]CC2(O)CC[NH+](C)CC2)cc1 ZINC000361891520 149247642 /nfs/dbraw/zinc/24/76/42/149247642.db2.gz XOAZWMCQUJPFGJ-HNNXBMFYSA-N 2 0 306.450 2.583 20 0 DFADRP C[NH+](C)CCOCC[NH2+]Cc1cc(Cl)cc2cccnc21 ZINC000361967379 149267190 /nfs/dbraw/zinc/26/71/90/149267190.db2.gz SRUHKMYPRDNIGA-UHFFFAOYSA-N 2 0 307.825 2.556 20 0 DFADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]C[C@H]2CCCS2)[C@H](C)C1 ZINC000362011431 149275443 /nfs/dbraw/zinc/27/54/43/149275443.db2.gz DOWKVMPGITVFEL-OAGGEKHMSA-N 2 0 300.512 2.609 20 0 DFADRP Cc1cc(-n2ccnc2)ccc1CN1C[C@@H](C)[S@](=O)[C@@H](C)C1 ZINC000362078427 149289988 /nfs/dbraw/zinc/28/99/88/149289988.db2.gz QQDXGOWJFWYLEH-RTYJCRPCSA-N 2 0 317.458 2.522 20 0 DFADRP CC(C)C[C@H](C[NH+](C)C)NC(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC000362627142 149327237 /nfs/dbraw/zinc/32/72/37/149327237.db2.gz MLNDQCQBRCVMDZ-IAGOWNOFSA-N 2 0 311.514 2.589 20 0 DFADRP [NH3+][C@@H]1CC[C@H]2C[N@H+](Cc3ccc(OCc4ccccn4)cc3)C[C@H]12 ZINC000351472613 286128626 /nfs/dbraw/zinc/12/86/26/286128626.db2.gz BERNSEDTYUPQIG-FFZOFVMBSA-N 2 0 323.440 2.830 20 0 DFADRP C[NH+]1CCC2(CCC[N@@H+]2Cc2cccc3c2OCCCO3)CC1 ZINC000351488542 286133331 /nfs/dbraw/zinc/13/33/31/286133331.db2.gz APNQQJVZCIBIKM-UHFFFAOYSA-N 2 0 316.445 2.908 20 0 DFADRP C[C@@H]([NH2+]CCOCC[NH+](C)C)c1ccccc1OC(F)(F)F ZINC000351502447 286137668 /nfs/dbraw/zinc/13/76/68/286137668.db2.gz LFBPYFYYPVCVCM-GFCCVEGCSA-N 2 0 320.355 2.814 20 0 DFADRP O=C(CC[N@@H+]1CCC[C@H](C[NH+]2CCCCC2)C1)NC1CCCC1 ZINC000371197437 150001177 /nfs/dbraw/zinc/00/11/77/150001177.db2.gz WPUIBRJGVKYQJL-QGZVFWFLSA-N 2 0 321.509 2.633 20 0 DFADRP Cc1cccc(C[N@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@H]32)c1C ZINC000371470424 150051513 /nfs/dbraw/zinc/05/15/13/150051513.db2.gz LIELCTHPYSIOKH-IPMKNSEASA-N 2 0 302.462 2.987 20 0 DFADRP Cc1cccc(C[N@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@@H]32)c1C ZINC000371470421 150051833 /nfs/dbraw/zinc/05/18/33/150051833.db2.gz LIELCTHPYSIOKH-CEXWTWQISA-N 2 0 302.462 2.987 20 0 DFADRP COC(=O)c1ccc(CN2CCC3(CCC[N@@H+]3C)CC2)cc1F ZINC000371690119 150081783 /nfs/dbraw/zinc/08/17/83/150081783.db2.gz VSRWUTRZZUNHQF-UHFFFAOYSA-N 2 0 320.408 2.673 20 0 DFADRP Cc1cc(F)ccc1C[N@@H+](C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000371693455 150082455 /nfs/dbraw/zinc/08/24/55/150082455.db2.gz PZJTVIXEFJBFKZ-LJQANCHMSA-N 2 0 319.468 2.734 20 0 DFADRP C[NH+](C)Cc1cccc(NC(=O)[C@@H]2CCN2Cc2ccccc2)c1 ZINC000371817927 150099927 /nfs/dbraw/zinc/09/99/27/150099927.db2.gz CXORJNKZCMGTGY-IBGZPJMESA-N 2 0 323.440 2.961 20 0 DFADRP C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@H]1[NH2+]C[C@]1(C)CCCS1 ZINC000372061005 150130721 /nfs/dbraw/zinc/13/07/21/150130721.db2.gz YQIUZQPPAAWUFD-TWMKSMIVSA-N 2 0 312.523 2.751 20 0 DFADRP CCCC[C@@H](CC)C[NH+]1CCC(N2CCC[C@@H]2C(N)=O)CC1 ZINC000372976044 150210476 /nfs/dbraw/zinc/21/04/76/150210476.db2.gz NWAXWLVFCGIGNX-NVXWUHKLSA-N 2 0 309.498 2.617 20 0 DFADRP CC1(C)Cc2cc(C[NH2+]C[C@@H]3CCn4ccnc4C3)ccc2O1 ZINC000373063864 150224711 /nfs/dbraw/zinc/22/47/11/150224711.db2.gz QWYNCZCVENBZEQ-OAHLLOKOSA-N 2 0 311.429 2.949 20 0 DFADRP COC(=O)c1ccc(C[N@@H+]2CCCC3(CC[NH+](C)CC3)C2)s1 ZINC000374075378 150303573 /nfs/dbraw/zinc/30/35/73/150303573.db2.gz SPLFRYIMDJTTMZ-UHFFFAOYSA-N 2 0 322.474 2.843 20 0 DFADRP O=C(CCC1CC[NH2+]CC1)N[C@H]1CCC[N@@H+](C2CCCCC2)C1 ZINC000374312697 150342196 /nfs/dbraw/zinc/34/21/96/150342196.db2.gz WKOJDKWPPHLCQK-KRWDZBQOSA-N 2 0 321.509 2.680 20 0 DFADRP CCOc1ccc(CN2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@H]32)cc1 ZINC000374428848 150366810 /nfs/dbraw/zinc/36/68/10/150366810.db2.gz NHOSWESXIZROEN-QXAKKESOSA-N 2 0 318.461 2.769 20 0 DFADRP C[C@@H]1CCOCC[NH+]1CCCCCC[N@H+]1CCOCC[C@H]1C ZINC000374992366 150380255 /nfs/dbraw/zinc/38/02/55/150380255.db2.gz XKFPFCWVUXIULL-QZTJIDSGSA-N 2 0 312.498 2.768 20 0 DFADRP CCO[C@@H](CC[NH+](C)C)C[NH2+][C@H]1CCCc2nc(C)sc21 ZINC000166027089 286198843 /nfs/dbraw/zinc/19/88/43/286198843.db2.gz KIAACUJKLOEDPT-KBPBESRZSA-N 2 0 311.495 2.775 20 0 DFADRP CCN(CCC[NH+]1CCCC1)C(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC000351787808 286218535 /nfs/dbraw/zinc/21/85/35/286218535.db2.gz XGHIEUPBOAPCLF-GOSISDBHSA-N 2 0 323.525 2.831 20 0 DFADRP CC[C@@H](C)CCC(=O)N(CC[NH+](C)C)C[C@@H]1CCC[N@@H+]1CC ZINC000351805892 286222887 /nfs/dbraw/zinc/22/28/87/286222887.db2.gz DCEIUHOCQSGYGR-SJORKVTESA-N 2 0 311.514 2.687 20 0 DFADRP CC[NH+](CC)CCC[C@@H](C)NC(=O)CC[C@@H]1CCCC[N@@H+]1C ZINC000351886387 286237401 /nfs/dbraw/zinc/23/74/01/286237401.db2.gz JMTNQCWCLDRHRE-SJORKVTESA-N 2 0 311.514 2.878 20 0 DFADRP CCOC(=O)C1(C[NH2+]C2CC[NH+]([C@H]3CCC[C@H](C)C3)CC2)CC1 ZINC000351914769 286243271 /nfs/dbraw/zinc/24/32/71/286243271.db2.gz DRENRJIZLAOZMJ-RDJZCZTQSA-N 2 0 322.493 2.962 20 0 DFADRP CCO[C@@H]1C[C@@H]([NH2+]CC2(SC)CC[NH+](C)CC2)C1(C)C ZINC000353639691 286279548 /nfs/dbraw/zinc/27/95/48/286279548.db2.gz DQMNAPIUQJLQHP-ZIAGYGMSSA-N 2 0 300.512 2.607 20 0 DFADRP CCC[C@@H]([NH2+]C(C)C)C(=O)N[C@@H](C[NH+](C)C)c1ccccc1 ZINC000352139999 286302240 /nfs/dbraw/zinc/30/22/40/286302240.db2.gz IRXAUKXAZOHSBT-SJORKVTESA-N 2 0 305.466 2.572 20 0 DFADRP CCC[C@H]([NH2+]C(C)C)C(=O)NCCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000352156326 286307222 /nfs/dbraw/zinc/30/72/22/286307222.db2.gz IYQNENCSXFIAQP-ZACQAIPSSA-N 2 0 311.514 2.637 20 0 DFADRP C[C@@H]1CCC[C@@](CNC(=O)CC[C@H]2CCCC[N@@H+]2C)([NH+](C)C)C1 ZINC000352215473 286319917 /nfs/dbraw/zinc/31/99/17/286319917.db2.gz DUXYFLDPZVHVKI-ZHALLVOQSA-N 2 0 323.525 2.878 20 0 DFADRP CCC[C@H]([NH2+]C(C)C)C(=O)NC[C@]1([NH+](C)C)CCC[C@H](C)C1 ZINC000352219694 286321117 /nfs/dbraw/zinc/32/11/17/286321117.db2.gz RPFXLVBYIUEHEI-BQFCYCMXSA-N 2 0 311.514 2.780 20 0 DFADRP Cn1ncc(C[N@H+](CCC[NH3+])CC2CCCC2)c1C(F)(F)F ZINC000352507957 286392352 /nfs/dbraw/zinc/39/23/52/286392352.db2.gz FJLMRWNQGCMGOV-UHFFFAOYSA-N 2 0 318.387 2.780 20 0 DFADRP Cc1cccc(NC(=O)CN(CCC[NH3+])CC2CCCC2)c1 ZINC000352509200 286392727 /nfs/dbraw/zinc/39/27/27/286392727.db2.gz KBGJHVQSINBWTM-UHFFFAOYSA-N 2 0 303.450 2.775 20 0 DFADRP CC[NH+]1CCN([C@H](C)C[NH2+]C/C=C\c2ccc(F)c(F)c2)CC1 ZINC000352809465 286473457 /nfs/dbraw/zinc/47/34/57/286473457.db2.gz CANIVIBPTSAVFJ-FOSCPCJNSA-N 2 0 323.431 2.594 20 0 DFADRP COC1(C[NH2+]CCCC[NH+]2C[C@H](C)C[C@@H](C)C2)CCOCC1 ZINC000428890709 296720266 /nfs/dbraw/zinc/72/02/66/296720266.db2.gz VNPVRILWUNWVKA-IAGOWNOFSA-N 2 0 312.498 2.530 20 0 DFADRP CCC(CC)[C@H](C[NH2+][C@@H](C)C(C)(C)n1cncn1)[NH+]1CCCC1 ZINC000353411525 286637921 /nfs/dbraw/zinc/63/79/21/286637921.db2.gz KJSHTIGMYPVZCV-RDJZCZTQSA-N 2 0 321.513 2.892 20 0 DFADRP CCN(CC)C(=O)CCC1CC[NH+](CC[C@H]2CCC[N@@H+]2C)CC1 ZINC000182552162 158004822 /nfs/dbraw/zinc/00/48/22/158004822.db2.gz XJYIXPKEFRLFJQ-GOSISDBHSA-N 2 0 323.525 2.831 20 0 DFADRP Cc1cccc2c(NC[C@@H](C)N3CC[NH+](C)CC3)c(C)c[nH+]c12 ZINC000185293151 158052048 /nfs/dbraw/zinc/05/20/48/158052048.db2.gz HMUNUTLTVBUFIJ-MRXNPFEDSA-N 2 0 312.461 2.899 20 0 DFADRP C[C@H]([NH2+][C@@H](C)[C@H]1CCCO1)c1ccc(OCC[NH+](C)C)cc1 ZINC000246823995 158100292 /nfs/dbraw/zinc/10/02/92/158100292.db2.gz BIAXOSAJVPJZME-RLFYNMQTSA-N 2 0 306.450 2.845 20 0 DFADRP CC[C@H](C)[N@H+](C)CCN[C@H]1CC[NH+](Cc2ccccn2)C[C@H]1C ZINC000246948568 158107356 /nfs/dbraw/zinc/10/73/56/158107356.db2.gz IDFFYRANPPCONS-AOIWGVFYSA-N 2 0 318.509 2.612 20 0 DFADRP CCOC[C@H](C)[NH2+]Cc1ccccc1C[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000247023145 158113687 /nfs/dbraw/zinc/11/36/87/158113687.db2.gz NCRBLQCNTSRSIQ-ULQDDVLXSA-N 2 0 320.477 2.810 20 0 DFADRP CC[N@@H+]1CC[C@H](NC[C@H](c2ccc(C)cc2)[NH+](C)C)[C@H](C)C1 ZINC000247062330 158118374 /nfs/dbraw/zinc/11/83/74/158118374.db2.gz PQIPJPJESQSSIA-NZSAHSFTSA-N 2 0 303.494 2.918 20 0 DFADRP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccc3c(c2)OCCO3)[C@@H](C)C1 ZINC000247221647 158123318 /nfs/dbraw/zinc/12/33/18/158123318.db2.gz RHLVXLNGXLSEJV-HOCLYGCPSA-N 2 0 304.434 2.620 20 0 DFADRP C[C@H]([NH2+]C[C@@H]1CCCC[C@H]1O)c1cccc(OCC[NH+](C)C)c1 ZINC000247922677 158151425 /nfs/dbraw/zinc/15/14/25/158151425.db2.gz BJLLOCTYMBCGHD-VDZJLULYSA-N 2 0 320.477 2.829 20 0 DFADRP COc1ccc2c(c1)[C@H]([NH2+]CCCC[N@@H+]1CCC[C@H]1CO)CC2 ZINC000248006663 158156768 /nfs/dbraw/zinc/15/67/68/158156768.db2.gz KVHWBBYWNGAGAV-QFBILLFUSA-N 2 0 318.461 2.509 20 0 DFADRP Cc1ccc2c(c1)[C@@H]([NH2+]CCCC[N@@H+]1CCC[C@H]1CO)CC2 ZINC000248170129 158163327 /nfs/dbraw/zinc/16/33/27/158163327.db2.gz UPHMDEXOSSRUPH-HKUYNNGSSA-N 2 0 302.462 2.809 20 0 DFADRP C[C@H]([NH2+]Cc1ccccc1C[N@@H+]1CCC[C@H]1CO)C1(C)CC1 ZINC000248457605 158178094 /nfs/dbraw/zinc/17/80/94/158178094.db2.gz TUMPCOGKVYRKCF-YJBOKZPZSA-N 2 0 302.462 2.922 20 0 DFADRP CC[N@@H+]1CC[C@H]([NH+](C)C[C@@H](O)CCc2ccccc2)[C@@H](C)C1 ZINC000248597803 158188582 /nfs/dbraw/zinc/18/85/82/158188582.db2.gz UEJMUPWSNWHVRY-WDSOQIARSA-N 2 0 304.478 2.642 20 0 DFADRP C/C=C/C[C@H](CO)[NH2+][C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000248652807 158194519 /nfs/dbraw/zinc/19/45/19/158194519.db2.gz YKPORBWMBCVVTD-AXSXRGJHSA-N 2 0 314.473 2.814 20 0 DFADRP C[C@@H](O)[C@](C)(C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C)Cc1ccccc1 ZINC000248755877 158200503 /nfs/dbraw/zinc/20/05/03/158200503.db2.gz CQPBSZMDDBEHBO-PANBIXPWSA-N 2 0 316.489 2.831 20 0 DFADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1NC[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000248826372 158202649 /nfs/dbraw/zinc/20/26/49/158202649.db2.gz CZNOMDNXQHVUSZ-LFGUQSLTSA-N 2 0 315.505 2.827 20 0 DFADRP CO[C@H](C)[C@@H](C)[NH2+]Cc1ccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000268781119 158209000 /nfs/dbraw/zinc/20/90/00/158209000.db2.gz XTBXPDJEDKKPSR-YYIAUSFCSA-N 2 0 320.477 2.809 20 0 DFADRP Cc1cc(Cl)ccc1C[N@H+](C)CCCN1CC[NH+](C)CC1 ZINC000349332755 158227148 /nfs/dbraw/zinc/22/71/48/158227148.db2.gz OVTIGZOUECOWHI-UHFFFAOYSA-N 2 0 309.885 2.718 20 0 DFADRP C[C@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]CCc2ccn(C)n2)CC1 ZINC000355059095 158263085 /nfs/dbraw/zinc/26/30/85/158263085.db2.gz GZXJMDHSGRIKDX-YJBOKZPZSA-N 2 0 304.482 2.595 20 0 DFADRP C[C@H](c1ccc(F)cc1)[N@@H+]1CCN(C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000355072346 158267803 /nfs/dbraw/zinc/26/78/03/158267803.db2.gz RLUUREFUDQDOTB-JKSUJKDBSA-N 2 0 319.468 2.987 20 0 DFADRP CCN(CCC[N@H+](C)[C@H]1CC[NH+](CC)C[C@@H]1C)CC(F)(F)F ZINC000355096497 158273209 /nfs/dbraw/zinc/27/32/09/158273209.db2.gz LDBUIGQXFIGCSV-GJZGRUSLSA-N 2 0 323.447 2.923 20 0 DFADRP CCCOc1ccc(C[NH2+][C@H]2CC[N@H+](C)C[C@H]2C)cc1OC ZINC000356864352 158316663 /nfs/dbraw/zinc/31/66/63/158316663.db2.gz KQNGFDNVWHAYSJ-ZBFHGGJFSA-N 2 0 306.450 2.914 20 0 DFADRP CCC[N@@H+]1CC[C@@H](C[NH2+]C2CCN(CCC(F)(F)F)CC2)C1 ZINC000356871718 158317964 /nfs/dbraw/zinc/31/79/64/158317964.db2.gz OVVYGLYFZAAZIQ-AWEZNQCLSA-N 2 0 321.431 2.725 20 0 DFADRP C[C@H]1C[C@H](C[NH+]2CCC(CCC[NH+]3CCOCC3)CC2)CCO1 ZINC000356936777 158326556 /nfs/dbraw/zinc/32/65/56/158326556.db2.gz MRDAMMZALKCYNI-PKOBYXMFSA-N 2 0 324.509 2.626 20 0 DFADRP COCCOc1cccc(C[NH+]2CCC([C@@H]3CC[NH2+]C3)CC2)c1 ZINC000357054501 158356824 /nfs/dbraw/zinc/35/68/24/158356824.db2.gz QFESZGKWXIYHHN-GOSISDBHSA-N 2 0 318.461 2.533 20 0 DFADRP c1csc(-c2ncc(CN3CC[C@@H]4C[NH2+]C[C@@H]4C3)s2)c1 ZINC000357053631 158356845 /nfs/dbraw/zinc/35/68/45/158356845.db2.gz PKRHSOCJZPTBEP-VXGBXAGGSA-N 2 0 305.472 2.913 20 0 DFADRP Cc1cccc(NC(=O)C[NH+]2CCC([C@@H]3CC[NH2+]C3)CC2)c1C ZINC000357067376 158360116 /nfs/dbraw/zinc/36/01/16/158360116.db2.gz CQJWXFFMLZDBFO-QGZVFWFLSA-N 2 0 315.461 2.563 20 0 DFADRP COCCC[NH+]1CCC([NH2+][C@@H]2CCCC[C@H]2[C@H]2CCOC2)CC1 ZINC000373702286 158768739 /nfs/dbraw/zinc/76/87/39/158768739.db2.gz XFRNIECVQQIGGX-YTQUADARSA-N 2 0 324.509 2.672 20 0 DFADRP CC[NH2+]CC1CC[NH+]([C@@H]2CCCN(c3ccccc3)C2=O)CC1 ZINC000430568265 296795545 /nfs/dbraw/zinc/79/55/45/296795545.db2.gz FVCHGZYDVXZUNA-GOSISDBHSA-N 2 0 315.461 2.504 20 0 DFADRP CC[NH2+]CC1CC[NH+]([C@@H](C)C(=O)Nc2cc(F)ccc2C)CC1 ZINC000430578403 296796912 /nfs/dbraw/zinc/79/69/12/296796912.db2.gz PEYWBZVYNWRKDU-AWEZNQCLSA-N 2 0 321.440 2.783 20 0 DFADRP C[NH+](C)[C@H](CNC(=O)[C@H]1CCCCCC[C@@H]1[NH3+])c1ccsc1 ZINC000430767331 296807979 /nfs/dbraw/zinc/80/79/79/296807979.db2.gz WDLWBEHTKZQJHI-HRCADAONSA-N 2 0 323.506 2.765 20 0 DFADRP CC(C)[NH+]1CCC(NC(=O)C[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC000431623488 296843273 /nfs/dbraw/zinc/84/32/73/296843273.db2.gz SSFWKZWYQFUCPC-GOSISDBHSA-N 2 0 317.477 2.668 20 0 DFADRP C[N@@H+]1CCN(CC[NH2+][C@@H]2CCC[C@@H](C(F)(F)F)C2)CC1(C)C ZINC000441350271 297180619 /nfs/dbraw/zinc/18/06/19/297180619.db2.gz HCULDVDWCIYKKO-ZIAGYGMSSA-N 2 0 321.431 2.723 20 0 DFADRP C[C@@H](c1ccc(F)cc1)[N@H+](C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000371426852 287135991 /nfs/dbraw/zinc/13/59/91/287135991.db2.gz ZHPDZFIZOWFFPF-HNAYVOBHSA-N 2 0 319.468 2.987 20 0 DFADRP C[C@H](C[NH2+][C@@H]1CCO[C@@H](C(F)(F)F)C1)C[NH+]1CCCCC1 ZINC000315598342 298785950 /nfs/dbraw/zinc/78/59/50/298785950.db2.gz PEKSFNXCSRAJLK-MGPQQGTHSA-N 2 0 308.388 2.808 20 0 DFADRP Cc1ccc([C@@H](C)[NH2+]Cc2ccc(N3CC[NH+](C)CC3)nc2)cc1 ZINC000130533344 196088190 /nfs/dbraw/zinc/08/81/90/196088190.db2.gz KLGUTFUPMVBROU-QGZVFWFLSA-N 2 0 324.472 2.993 20 0 DFADRP C[C@H](C[NH2+][C@H](C)c1ccc(OCC[NH+](C)C)cc1)N(C)C1CC1 ZINC000130729400 196104196 /nfs/dbraw/zinc/10/41/96/196104196.db2.gz YUAYXRVERHOGKT-HZPDHXFCSA-N 2 0 319.493 2.760 20 0 DFADRP CC[NH+](CC)CCC[NH2+][C@@H](C)c1ccc(-n2cncn2)cc1 ZINC000131466875 196171203 /nfs/dbraw/zinc/17/12/03/196171203.db2.gz NJRWTSLPZQFVDH-HNNXBMFYSA-N 2 0 301.438 2.650 20 0 DFADRP C[C@@H]1CCCC[N@@H+]1CCC[NH2+][C@H]1CCO[C@@H](C(F)(F)F)C1 ZINC000314587244 287269135 /nfs/dbraw/zinc/26/91/35/287269135.db2.gz DTAUIBKZRRIWLM-HZSPNIEDSA-N 2 0 308.388 2.950 20 0 DFADRP C[C@H](CSC(C)(C)C)[NH2+]C1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000132957942 196299494 /nfs/dbraw/zinc/29/94/94/196299494.db2.gz JKDNDHAYMFYSPT-CABCVRRESA-N 2 0 314.539 2.997 20 0 DFADRP CCC[NH+]1CCC([NH2+]C[C@@H]2COC3(CCCCCC3)O2)CC1 ZINC000133275897 196327130 /nfs/dbraw/zinc/32/71/30/196327130.db2.gz IYAATRXCAABUCL-QGZVFWFLSA-N 2 0 310.482 2.916 20 0 DFADRP CCc1ccc([C@@H](CN[C@H]2CC[N@H+](C)[C@H](C)C2)[NH+](C)C)cc1 ZINC000133807148 196337588 /nfs/dbraw/zinc/33/75/88/196337588.db2.gz JJVUHZVLMHHSTC-AYOQOUSVSA-N 2 0 303.494 2.924 20 0 DFADRP CC[NH+](CC)[C@H](CN[C@@H]1CC[N@H+](C)C[C@@H]1C)c1ccccc1 ZINC000134021345 196353815 /nfs/dbraw/zinc/35/38/15/196353815.db2.gz ZSASUATUWNNQSX-QXAKKESOSA-N 2 0 303.494 2.999 20 0 DFADRP C[C@H]1C[C@@H](NC[C@@H](c2cccs2)[NH+]2CCCC2)CC[N@@H+]1C ZINC000134139157 196365151 /nfs/dbraw/zinc/36/51/51/196365151.db2.gz QMLLMNWKHNCOEB-JYJNAYRXSA-N 2 0 307.507 2.957 20 0 DFADRP Cn1c2ccccc2nc1CCC[NH2+]C1CCN(C2CC2)CC1 ZINC000297619741 227377914 /nfs/dbraw/zinc/37/79/14/227377914.db2.gz LFNMUGMZXWIAOR-UHFFFAOYSA-N 2 0 312.461 2.722 20 0 DFADRP CC(C)[N@H+](C)CC1CC[NH+](Cc2c(C3CC3)cnn2C)CC1 ZINC000667534598 543624833 /nfs/dbraw/zinc/62/48/33/543624833.db2.gz GFUCKSPTRJCKBH-UHFFFAOYSA-N 2 0 304.482 2.850 20 0 DFADRP COC[C@@H](C)Oc1ccc(C[N@H+](C)CC2CC[NH+](C)CC2)cc1 ZINC000667597148 543638541 /nfs/dbraw/zinc/63/85/41/543638541.db2.gz CLHCPKJYIOFRDX-MRXNPFEDSA-N 2 0 320.477 2.874 20 0 DFADRP CC[N@@H+]1CC[C@H](N(C)Cc2c(C3CCC3)cnn2C)[C@H](C)C1 ZINC000667666243 543655462 /nfs/dbraw/zinc/65/54/62/543655462.db2.gz GWWCTGABSYJPTK-PBHICJAKSA-N 2 0 304.482 2.850 20 0 DFADRP CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)Nc2cccc(C[NH3+])c2)C1 ZINC000667724022 543667345 /nfs/dbraw/zinc/66/73/45/543667345.db2.gz SHCIUOKGKTWGKH-INIZCTEOSA-N 2 0 318.465 2.635 20 0 DFADRP C[NH+](C)CC[C@H](NC(=O)Nc1cccc(C[NH3+])c1)C(C)(C)C ZINC000667728363 543668000 /nfs/dbraw/zinc/66/80/00/543668000.db2.gz SAXCOUJREBFVSA-HNNXBMFYSA-N 2 0 306.454 2.633 20 0 DFADRP C[C@@H](CNC(=O)Nc1cccc(C[NH3+])c1)[N@@H+]1CCCC[C@H]1C ZINC000667730832 543668739 /nfs/dbraw/zinc/66/87/39/543668739.db2.gz BVLSDZHXTAFDII-KGLIPLIRSA-N 2 0 304.438 2.530 20 0 DFADRP CC[N@@H+]1CC[C@@H](C[NH2+][C@@H](C)COc2ccc(CCOC)cc2)C1 ZINC000667792568 543680164 /nfs/dbraw/zinc/68/01/64/543680164.db2.gz CSOVFVJTUHGBPA-WMZOPIPTSA-N 2 0 320.477 2.574 20 0 DFADRP C[NH+](C)CCCC(C)(C)NC(=O)C[C@@H](c1ccccc1)[NH+](C)C ZINC000668008740 543722087 /nfs/dbraw/zinc/72/20/87/543722087.db2.gz WUNRNPPHZJOLNT-KRWDZBQOSA-N 2 0 319.493 2.916 20 0 DFADRP C[C@H](C[N@H+](C)Cc1ccnn1-c1cc[nH+]cc1)c1nccs1 ZINC000667975199 543715968 /nfs/dbraw/zinc/71/59/68/543715968.db2.gz PRCYJVRBRATZJE-CYBMUJFWSA-N 2 0 313.430 2.959 20 0 DFADRP COCc1csc(C[N@H+](C)C[C@H]2CCn3ccnc3C2)c1 ZINC000668170059 543757737 /nfs/dbraw/zinc/75/77/37/543757737.db2.gz BYSVFDQHAGOCHY-ZDUSSCGKSA-N 2 0 305.447 2.785 20 0 DFADRP OCC1([C@@H]([NH2+]Cc2cnc3n2CCC3)c2ccccc2)CCC1 ZINC000668193173 543764045 /nfs/dbraw/zinc/76/40/45/543764045.db2.gz YWFGAUJGHHHHRN-SFHVURJKSA-N 2 0 311.429 2.823 20 0 DFADRP Cc1cc[nH+]c(NC2CC[NH+]([C@H]3CCOC3)CC2)c1C1CC1 ZINC000668511104 543816786 /nfs/dbraw/zinc/81/67/86/543816786.db2.gz FJRXDCHSDCDJQC-INIZCTEOSA-N 2 0 301.434 2.933 20 0 DFADRP C[C@@H](CN(C)CCC[NH+](C)C)[NH2+]CCc1cccc(Cl)c1 ZINC000668474603 543812396 /nfs/dbraw/zinc/81/23/96/543812396.db2.gz AXTLCKFTZDYXJE-HNNXBMFYSA-N 2 0 311.901 2.744 20 0 DFADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)[C@@H]1CCCC2(CC2)C1 ZINC000668665942 543843415 /nfs/dbraw/zinc/84/34/15/543843415.db2.gz APFKWXSBWYQZNM-QGZVFWFLSA-N 2 0 323.525 2.689 20 0 DFADRP C[C@@H](CC[NH+]1CCC([N@@H+]2CC[C@H](O)C2)CC1)c1ccccc1 ZINC000668740595 543858859 /nfs/dbraw/zinc/85/88/59/543858859.db2.gz WCMXOOCIMLYKHE-LPHOPBHVSA-N 2 0 302.462 2.711 20 0 DFADRP C[C@@H](CC[NH+]1CCC([N@@H+]2CC[C@@H](O)C2)CC1)c1ccccc1 ZINC000668740596 543859426 /nfs/dbraw/zinc/85/94/26/543859426.db2.gz WCMXOOCIMLYKHE-QFBILLFUSA-N 2 0 302.462 2.711 20 0 DFADRP C[C@H](Cc1ccccc1)C[N@@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000668784678 543866886 /nfs/dbraw/zinc/86/68/86/543866886.db2.gz HNFBHSBZEUMTIR-IEBWSBKVSA-N 2 0 304.478 2.908 20 0 DFADRP COc1c(C)cc(CN2CCO[C@H](CCC[NH+](C)C)C2)cc1C ZINC000668785918 543867668 /nfs/dbraw/zinc/86/76/68/543867668.db2.gz QVSYHBDBUGBWLH-GOSISDBHSA-N 2 0 320.477 2.855 20 0 DFADRP C[C@H]1CN(CC[N@H+](C)Cc2ccccc2)CC[NH+](C2CC2)C1 ZINC000296691351 226128355 /nfs/dbraw/zinc/12/83/55/226128355.db2.gz JVQHJTSBYDDYKI-KRWDZBQOSA-N 2 0 301.478 2.535 20 0 DFADRP C[C@H](C[NH2+]Cc1ccnc(N2CC[NH+](C)CC2)c1)C(C)(C)C ZINC000670266366 544031196 /nfs/dbraw/zinc/03/11/96/544031196.db2.gz ASTIQZNOIRTDKG-OAHLLOKOSA-N 2 0 304.482 2.605 20 0 DFADRP C[C@H]([NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccc2[nH]c(=O)oc2c1 ZINC000671741614 544104973 /nfs/dbraw/zinc/10/49/73/544104973.db2.gz ZSTGEUKHQZKPHW-UBHSHLNASA-N 2 0 301.390 2.811 20 0 DFADRP C[C@H](C[NH2+][C@@H](C)c1ccc2[nH]c(=O)oc2c1)C[NH+]1CCCC1 ZINC000671741791 544105105 /nfs/dbraw/zinc/10/51/05/544105105.db2.gz DSVMHSZTMKORRK-OLZOCXBDSA-N 2 0 303.406 2.916 20 0 DFADRP C[NH+](C)[C@@H]1CCCN([C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000297364873 227070714 /nfs/dbraw/zinc/07/07/14/227070714.db2.gz GBLCUMWIIFHJSO-MOPGFXCFSA-N 2 0 301.478 2.677 20 0 DFADRP CC[NH+]1CCC([NH2+]C[C@H]2CCN(c3ccccc3F)C2)CC1 ZINC000291092464 222130383 /nfs/dbraw/zinc/13/03/83/222130383.db2.gz CYLBAWNQUUQAOQ-OAHLLOKOSA-N 2 0 305.441 2.726 20 0 DFADRP C[NH+]1CCC(O)(C[NH2+]Cc2ccc(C3CCCC3)cc2)CC1 ZINC000291157836 222181531 /nfs/dbraw/zinc/18/15/31/222181531.db2.gz IAOILUDTRWSDHQ-UHFFFAOYSA-N 2 0 302.462 2.891 20 0 DFADRP C[C@@H]1C[C@@H](C[NH3+])C[N@@H+]1CCOc1ccc(C(F)(F)F)cc1 ZINC000442773854 297205500 /nfs/dbraw/zinc/20/55/00/297205500.db2.gz DHEFSXWZFWDGNR-NEPJUHHUSA-N 2 0 302.340 2.753 20 0 DFADRP O=C(Nc1ccc2nccn2c1)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000674014911 544214141 /nfs/dbraw/zinc/21/41/41/544214141.db2.gz ODSWJZIBSFULPV-CQSZACIVSA-N 2 0 312.417 2.927 20 0 DFADRP C[C@@H](C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)C1CCCC1 ZINC000674092516 544219498 /nfs/dbraw/zinc/21/94/98/544219498.db2.gz JSOXQOKEZDIRIB-MRXNPFEDSA-N 2 0 311.514 2.545 20 0 DFADRP C[C@@H](C(=O)NCc1ccccc1C[N@@H+]1CCCC[C@H]1C)[NH+](C)C ZINC000674245284 544226034 /nfs/dbraw/zinc/22/60/34/544226034.db2.gz JQAMLDNEZBQDHF-CVEARBPZSA-N 2 0 317.477 2.627 20 0 DFADRP C[C@@H](C(=O)Nc1ccc(C[NH+]2CCC(C)CC2)cc1)[NH+](C)C ZINC000674245442 544226275 /nfs/dbraw/zinc/22/62/75/544226275.db2.gz MNOUBEOFPWSAAX-HNNXBMFYSA-N 2 0 303.450 2.807 20 0 DFADRP C[C@@H](CCN1CC[NH+](C)CC1)[NH2+]C1CC(C)(c2ccccc2)C1 ZINC000297562377 227305262 /nfs/dbraw/zinc/30/52/62/227305262.db2.gz HGOGJDDYBACSLY-KKXNLOMOSA-N 2 0 315.505 2.722 20 0 DFADRP C[NH+](C)CCCN(CCC[NH+](C)C)Cc1nc2ccccc2o1 ZINC000674766602 544256153 /nfs/dbraw/zinc/25/61/53/544256153.db2.gz DBSCLZYTKYYYRO-UHFFFAOYSA-N 2 0 318.465 2.533 20 0 DFADRP C[NH+]1CCC(N2CC[C@H]([NH2+][C@H]3CCc4c3cccc4F)C2)CC1 ZINC000675871523 544341207 /nfs/dbraw/zinc/34/12/07/544341207.db2.gz FLSZNBCIFXBRQZ-LIRRHRJNSA-N 2 0 317.452 2.571 20 0 DFADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2ccc(O)cc2)[C@@H](C)C1 ZINC000675802541 544337706 /nfs/dbraw/zinc/33/77/06/544337706.db2.gz STANPDCLNBATEG-MAUKXSAKSA-N 2 0 306.450 2.619 20 0 DFADRP CC[N@@H+]1CC[C@H]([NH2+]CCc2cn3cccc(C)c3n2)[C@@H](C)C1 ZINC000675925267 544344755 /nfs/dbraw/zinc/34/47/55/544344755.db2.gz JUYKEHDKWOTFMP-RDJZCZTQSA-N 2 0 300.450 2.505 20 0 DFADRP Cc1nc([C@H](C)[NH2+]CCCN2C[C@H](C)O[C@@H](C)C2)c(C)s1 ZINC000676490648 544379371 /nfs/dbraw/zinc/37/93/71/544379371.db2.gz QLBYIFBYASKDHG-AVGNSLFASA-N 2 0 311.495 2.910 20 0 DFADRP Fc1ccc(N2CC[C@H]([NH2+][C@H]3CC[N@@H+]4CCC[C@@H]4C3)C2)c(F)c1 ZINC000677240337 544456641 /nfs/dbraw/zinc/45/66/41/544456641.db2.gz HFIQLQXWMVDLDZ-HRCADAONSA-N 2 0 321.415 2.760 20 0 DFADRP Fc1ccc(N2CC[C@H]([NH2+][C@@H]3CC[N@@H+]4CCC[C@H]4C3)C2)c(F)c1 ZINC000677240354 544456697 /nfs/dbraw/zinc/45/66/97/544456697.db2.gz HFIQLQXWMVDLDZ-PMPSAXMXSA-N 2 0 321.415 2.760 20 0 DFADRP COc1ccccc1OCCC[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000677242382 544457700 /nfs/dbraw/zinc/45/77/00/544457700.db2.gz ZMNZEIIKKAAOJE-CVEARBPZSA-N 2 0 304.434 2.681 20 0 DFADRP C[C@@H](CO)C[N@@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000678044676 544587264 /nfs/dbraw/zinc/58/72/64/544587264.db2.gz RPGTVDFFGUSCBK-MJGOQNOKSA-N 2 0 302.462 2.603 20 0 DFADRP CC[C@H]1CO[C@H](C)C[N@@H+]1Cc1ccc(OCC[NH+](C)C)cc1 ZINC000678122343 544604692 /nfs/dbraw/zinc/60/46/92/544604692.db2.gz LEUXQJIXAMHGTN-WBVHZDCISA-N 2 0 306.450 2.626 20 0 DFADRP C[NH+](C)CCOC1CC[NH+](Cc2nccc3ccccc32)CC1 ZINC000678260908 544635653 /nfs/dbraw/zinc/63/56/53/544635653.db2.gz JQGIWHBFKKPISF-UHFFFAOYSA-N 2 0 313.445 2.777 20 0 DFADRP Cc1ccc([C@@H](C)[NH2+]CCCC[N@@H+]2CCC[C@@H]2CO)c(C)n1 ZINC000678422651 544670052 /nfs/dbraw/zinc/67/00/52/544670052.db2.gz NKQJJDKIFWEDRI-NVXWUHKLSA-N 2 0 305.466 2.586 20 0 DFADRP CC[NH+]1CCN([C@H](C)C[NH2+][C@@H]2c3ccccc3CC[C@@H]2C)CC1 ZINC000678766083 544716574 /nfs/dbraw/zinc/71/65/74/544716574.db2.gz KVJSCOXQIMAHOS-QKLQHJQFSA-N 2 0 315.505 2.926 20 0 DFADRP C[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+][C@H]2CCc3nccn3C2)CC1 ZINC000679025427 544769514 /nfs/dbraw/zinc/76/95/14/544769514.db2.gz SCMMXQQPRSZFPC-BPQIPLTHSA-N 2 0 316.493 2.831 20 0 DFADRP CCc1nc2ccccc2n1CC[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000679024733 544769807 /nfs/dbraw/zinc/76/98/07/544769807.db2.gz JHBRDHSETVJWNO-CVEARBPZSA-N 2 0 312.461 2.815 20 0 DFADRP COc1ccccc1CCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000679536222 544867402 /nfs/dbraw/zinc/86/74/02/544867402.db2.gz GEPBSFCQRYBDBR-UHFFFAOYSA-N 2 0 311.429 2.845 20 0 DFADRP CC[NH+](CC)Cc1ccc(C(=O)N[C@@H](C)C2=CC[N@H+](C)CC2)o1 ZINC000679663429 544893436 /nfs/dbraw/zinc/89/34/36/544893436.db2.gz YNPZJHZFPUPLEB-AWEZNQCLSA-N 2 0 319.449 2.502 20 0 DFADRP COc1ccc2c(c1)CC[C@H]([NH2+][C@H]1CC[N@@H+]3CCC[C@@H]3C1)C2 ZINC000680333506 544992737 /nfs/dbraw/zinc/99/27/37/544992737.db2.gz CSUGFWDWAUEKRU-OKZBNKHCSA-N 2 0 300.446 2.769 20 0 DFADRP Cc1cc(NCC[NH+]2CCN(c3ccc(F)cc3)CC2)cc[nH+]1 ZINC000302225941 230181104 /nfs/dbraw/zinc/18/11/04/230181104.db2.gz SDAHYMDMEKYGSP-UHFFFAOYSA-N 2 0 314.408 2.763 20 0 DFADRP Fc1ccccc1C[NH+]1CCC(C[NH2+]Cc2ncc[nH]2)CC1 ZINC000066594271 425905146 /nfs/dbraw/zinc/90/51/46/425905146.db2.gz XXMQGSDYBOIVQJ-UHFFFAOYSA-N 2 0 302.397 2.551 20 0 DFADRP C/C(=C\c1ccccc1)C[NH2+]C[C@@H](C(C)C)N1CC[NH+](C)CC1 ZINC000102421220 425921213 /nfs/dbraw/zinc/92/12/13/425921213.db2.gz JFSPGZDVKHQPRU-GJPUVDBCSA-N 2 0 315.505 2.952 20 0 DFADRP CC[C@H]([NH2+]C[C@@H](C)N1CC[NH+](CC)CC1)c1cccc(OC)c1 ZINC000155594110 425921614 /nfs/dbraw/zinc/92/16/14/425921614.db2.gz JJGOPLUYGGKMIP-APWZRJJASA-N 2 0 319.493 2.762 20 0 DFADRP COC[C@H](C)[NH+]1CCN(c2cc(C)[nH+]c3ccc(F)cc32)CC1 ZINC000124442241 425919803 /nfs/dbraw/zinc/91/98/03/425919803.db2.gz JCFMJBZPCHMOIA-AWEZNQCLSA-N 2 0 317.408 2.839 20 0 DFADRP CN(C)CC[NH+]1CCC(C[NH2+][C@H]2CCCc3sccc32)CC1 ZINC000124487623 425922605 /nfs/dbraw/zinc/92/26/05/425922605.db2.gz IGJIXEYGZAHLDN-KRWDZBQOSA-N 2 0 321.534 2.989 20 0 DFADRP CC[NH+]1CCN([C@@H](C)C[NH2+][C@@H](C)c2ccc(F)cc2F)CC1 ZINC000155609096 425923036 /nfs/dbraw/zinc/92/30/36/425923036.db2.gz FDCYVPQANKLEAT-KBPBESRZSA-N 2 0 311.420 2.641 20 0 DFADRP CC[NH+]1CCN([C@@H](C)C[NH2+][C@H]2c3ccccc3C[C@@H]2C)CC1 ZINC000155627371 425923278 /nfs/dbraw/zinc/92/32/78/425923278.db2.gz LNPOBKKYFILTNB-TXPKVOOTSA-N 2 0 301.478 2.536 20 0 DFADRP CC[C@H]([NH2+]C[C@H](C)N1CC[NH+](CC)CC1)c1ccccc1OC ZINC000155723116 425925227 /nfs/dbraw/zinc/92/52/27/425925227.db2.gz NIVGDDMGGDCQRI-WMZOPIPTSA-N 2 0 319.493 2.762 20 0 DFADRP CCc1ccc([C@@H](C)[NH2+]C[C@@H](C)N2CC[NH+](CC)CC2)s1 ZINC000155744308 425926268 /nfs/dbraw/zinc/92/62/68/425926268.db2.gz IFNDULTZXJPDMT-HUUCEWRRSA-N 2 0 309.523 2.987 20 0 DFADRP CC[C@@H](C(=O)NC[C@H](c1ccccc1)[NH+](CC)CC)[NH+](C)C ZINC000124673372 425932403 /nfs/dbraw/zinc/93/24/03/425932403.db2.gz RYSQQWZDVDBHSP-DLBZAZTESA-N 2 0 305.466 2.526 20 0 DFADRP C[C@@H]1CCCC[N@@H+]1CCNC(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000046374551 425864946 /nfs/dbraw/zinc/86/49/46/425864946.db2.gz YEXPGMMCRWTPCQ-OAHLLOKOSA-N 2 0 318.465 2.744 20 0 DFADRP Clc1cccc(N2CC[NH+](CCC3CC[NH2+]CC3)CC2)c1 ZINC000036156146 425845435 /nfs/dbraw/zinc/84/54/35/425845435.db2.gz DFQOVIGMUFKTAV-UHFFFAOYSA-N 2 0 307.869 2.852 20 0 DFADRP CC[NH+](CC)Cc1ccc(C(=O)NCCC[N@H+](C)C(C)C)o1 ZINC000042481942 425853461 /nfs/dbraw/zinc/85/34/61/425853461.db2.gz BDQYKWVULHNUOB-UHFFFAOYSA-N 2 0 309.454 2.582 20 0 DFADRP COC(=O)C1CCC([NH2+]C[C@@H]2CCC[N@H+](CC(C)C)C2)CC1 ZINC000192445917 268036378 /nfs/dbraw/zinc/03/63/78/268036378.db2.gz XBVQPMXPKWXJOI-GTPINHCMSA-N 2 0 310.482 2.676 20 0 DFADRP COc1cccc2c1CC[C@H]([NH2+]C[C@@H](C)C[NH+]1CCCC1)C2 ZINC000192439648 268036826 /nfs/dbraw/zinc/03/68/26/268036826.db2.gz FOHGIORUVSSXPL-WBVHZDCISA-N 2 0 302.462 2.874 20 0 DFADRP COC(=O)C1CCC([NH2+][C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)CC1 ZINC000192447613 268036867 /nfs/dbraw/zinc/03/68/67/268036867.db2.gz HOAWIOJSNXMQNK-KZYLPZIUSA-N 2 0 322.493 2.961 20 0 DFADRP COC(=O)C1CCC([NH2+]CCCC[N@@H+]2CCC[C@H](C)C2)CC1 ZINC000192439339 268037066 /nfs/dbraw/zinc/03/70/66/268037066.db2.gz FWAIJKHFZMGPAQ-GTPINHCMSA-N 2 0 310.482 2.820 20 0 DFADRP C[C@H](CC[NH+](C)C)[NH2+][C@@H]1CCC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000222986552 268141215 /nfs/dbraw/zinc/14/12/15/268141215.db2.gz RTLFSPLVAGXDDX-RBSFLKMASA-N 2 0 313.486 2.752 20 0 DFADRP CCC[NH+]1CCC(CNC(=O)[C@H]2CCCCCC[C@@H]2[NH3+])CC1 ZINC000236771242 268150051 /nfs/dbraw/zinc/15/00/51/268150051.db2.gz FULOPGNXRAIYFX-IRXDYDNUSA-N 2 0 309.498 2.522 20 0 DFADRP CCC[NH+]1CCC(CNC(=O)[C@@H]2CCCCCC[C@H]2[NH3+])CC1 ZINC000236770713 268150185 /nfs/dbraw/zinc/15/01/85/268150185.db2.gz FULOPGNXRAIYFX-IAGOWNOFSA-N 2 0 309.498 2.522 20 0 DFADRP CC(C)C[NH+]1CCC(NC(=O)[C@H]2CCCCCC[C@H]2[NH3+])CC1 ZINC000236772397 268150355 /nfs/dbraw/zinc/15/03/55/268150355.db2.gz BPGNPUBLSDEHJK-DLBZAZTESA-N 2 0 309.498 2.521 20 0 DFADRP CC[N@H+](Cc1ccc(C(=O)NC[C@@H](C)C[NH2+]C)cc1)C(C)C ZINC000236923528 268152939 /nfs/dbraw/zinc/15/29/39/268152939.db2.gz RWQSCGIOUKCCSG-HNNXBMFYSA-N 2 0 305.466 2.502 20 0 DFADRP CC[NH2+]Cc1ccccc1NC(=O)CN(C)Cc1ccccc1 ZINC000237043741 268153666 /nfs/dbraw/zinc/15/36/66/268153666.db2.gz BTRLEOVKFNMNAO-UHFFFAOYSA-N 2 0 311.429 2.867 20 0 DFADRP C[C@H]1C[N@H+](CC(C)(C)C[NH+](C)Cc2ccccc2)CC[C@H]1O ZINC000250123766 268168006 /nfs/dbraw/zinc/16/80/06/268168006.db2.gz VXMSVTMMXLLFKO-FUHWJXTLSA-N 2 0 304.478 2.847 20 0 DFADRP C[C@H]1C[C@@H]([NH2+]CCc2nc(-c3ccncc3)cs2)CC[N@@H+]1C ZINC000271520309 268249813 /nfs/dbraw/zinc/24/98/13/268249813.db2.gz QDGHUNVNTCRRRE-ZFWWWQNUSA-N 2 0 316.474 2.820 20 0 DFADRP O[C@@H](C[NH2+]C1CC[NH+](C2CCCCC2)CC1)Cc1ccccc1 ZINC000305136535 268330127 /nfs/dbraw/zinc/33/01/27/268330127.db2.gz OSJIDQYHYUPBLG-HXUWFJFHSA-N 2 0 316.489 2.977 20 0 DFADRP C[C@@H](c1ccc(C(F)(F)F)cc1)N1CCCO[C@H](C[NH3+])C1 ZINC000313337743 268339396 /nfs/dbraw/zinc/33/93/96/268339396.db2.gz JSAPJTSAZXDWBC-SMDDNHRTSA-N 2 0 302.340 2.816 20 0 DFADRP C[C@H](c1cccc(Br)c1)N1CCCO[C@@H](C[NH3+])C1 ZINC000313343796 268339897 /nfs/dbraw/zinc/33/98/97/268339897.db2.gz ICGXYTPUYOGLIW-RISCZKNCSA-N 2 0 313.239 2.560 20 0 DFADRP CC(C)[NH2+]CCC(=O)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000320277426 268347750 /nfs/dbraw/zinc/34/77/50/268347750.db2.gz VLPZKYUOIMSPRZ-UHFFFAOYSA-N 2 0 317.477 2.677 20 0 DFADRP CC[C@H](C(=O)NC[C@H](c1ccsc1)[NH+](CC)CC)[NH+](C)C ZINC000124790922 425938548 /nfs/dbraw/zinc/93/85/48/425938548.db2.gz MNWOXFUCLJDKOC-HUUCEWRRSA-N 2 0 311.495 2.587 20 0 DFADRP CC[C@@H](NCC1([NH3+])C2CC3CC(C2)CC1C3)[C@H]1CCCC[NH2+]1 ZINC000333833522 268419653 /nfs/dbraw/zinc/41/96/53/268419653.db2.gz MYKNWEMOSSUBQX-IUSBLUBVSA-N 2 0 305.510 2.650 20 0 DFADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H](c1ccc(C)cc1)[NH+](C)C ZINC000125946078 425997309 /nfs/dbraw/zinc/99/73/09/425997309.db2.gz RVXMVMHKRROBLR-MSOLQXFVSA-N 2 0 317.477 2.588 20 0 DFADRP CC1CC[NH+](CCCC[NH2+][C@@H]2CCCc3c2cnn3C)CC1 ZINC000158206557 425940696 /nfs/dbraw/zinc/94/06/96/425940696.db2.gz QRZCMGQWPQAXHP-QGZVFWFLSA-N 2 0 304.482 2.899 20 0 DFADRP C[C@H](CCn1cccn1)[NH2+]Cc1ccc(C[NH+](C)C)c(F)c1 ZINC000159182669 425955867 /nfs/dbraw/zinc/95/58/67/425955867.db2.gz FRIRXCRPFYRTGM-CQSZACIVSA-N 2 0 304.413 2.652 20 0 DFADRP CCN1CCC([N@H+](C)Cc2cccc(OCCOC)c2)CC1 ZINC000125212804 425958927 /nfs/dbraw/zinc/95/89/27/425958927.db2.gz TXQRFJGALOAECP-UHFFFAOYSA-N 2 0 306.450 2.628 20 0 DFADRP FC(F)(F)COCC[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000159336847 425958982 /nfs/dbraw/zinc/95/89/82/425958982.db2.gz VWBZKYNLMUJSMA-UHFFFAOYSA-N 2 0 308.388 2.952 20 0 DFADRP C/C(=C\c1ccccc1)C[NH2+]C[C@@H](C)CN1CC[NH+](C)CC1 ZINC000105439309 425968147 /nfs/dbraw/zinc/96/81/47/425968147.db2.gz QEGHKJYWXOOHON-VJSYINPZSA-N 2 0 301.478 2.563 20 0 DFADRP Cc1ccsc1[C@@H](C)[NH2+]C[C@@H](C(C)C)N1CC[NH+](C)CC1 ZINC000070091919 425968240 /nfs/dbraw/zinc/96/82/40/425968240.db2.gz BJALEJIUYPHISI-CVEARBPZSA-N 2 0 309.523 2.979 20 0 DFADRP C[C@@H]([NH3+])[C@H]1CCC[N@H+](CCC(=O)Nc2ccccc2Cl)C1 ZINC000070174124 425968660 /nfs/dbraw/zinc/96/86/60/425968660.db2.gz GMBUBVOVNHVZNV-OLZOCXBDSA-N 2 0 309.841 2.728 20 0 DFADRP Cc1ccc(NC(=O)C[N@@H+]2CCC[C@@H](CC[NH3+])C2)cc1Cl ZINC000070171121 425969020 /nfs/dbraw/zinc/96/90/20/425969020.db2.gz QWMQBVZHBXYETF-ZDUSSCGKSA-N 2 0 309.841 2.648 20 0 DFADRP CC(C)[C@@H](C(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1)[NH+](C)C ZINC000106427505 425973035 /nfs/dbraw/zinc/97/30/35/425973035.db2.gz JTDBSBGBWPTACC-HOCLYGCPSA-N 2 0 323.506 2.587 20 0 DFADRP Fc1cc(CN[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)ccc1-n1ccnc1 ZINC000126654102 426030038 /nfs/dbraw/zinc/03/00/38/426030038.db2.gz BDDIECKROPYMTG-HZPDHXFCSA-N 2 0 314.408 2.728 20 0 DFADRP CC[C@@H](C)[C@H](C)[NH2+]Cc1ccc(CN2CC[NH+](C)CC2)cc1 ZINC000126654934 426030416 /nfs/dbraw/zinc/03/04/16/426030416.db2.gz FVRGPQHLKHCLSC-SJORKVTESA-N 2 0 303.494 2.958 20 0 DFADRP CC1CC[NH+](C[C@@H]2CCCN(CCC[NH+]3CCCC3)C2)CC1 ZINC000161903043 426044777 /nfs/dbraw/zinc/04/47/77/426044777.db2.gz NWVGAQCUKBAKOG-LJQANCHMSA-N 2 0 307.526 2.916 20 0 DFADRP CC[C@@](C)(O)C[N@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000162211622 426057042 /nfs/dbraw/zinc/05/70/42/426057042.db2.gz GLRFRCWAFINZOG-GOSISDBHSA-N 2 0 305.466 2.781 20 0 DFADRP CCN(CC)C(=O)c1ccc(C[NH2+][C@@H]2CC[N@H+](C)C[C@@H]2C)cc1 ZINC000127395285 426065080 /nfs/dbraw/zinc/06/50/80/426065080.db2.gz VYGDGXPDULDDHS-MAUKXSAKSA-N 2 0 317.477 2.598 20 0 DFADRP C[C@H](C[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1)CN(C)C(=O)OC(C)(C)C ZINC000162490059 426066548 /nfs/dbraw/zinc/06/65/48/426066548.db2.gz RMJGOMTYKBOTJP-KFWWJZLASA-N 2 0 313.486 2.562 20 0 DFADRP C[C@@H]([NH2+]CC1CC[NH+](C)CC1)c1ccc(OCC[NH+](C)C)cc1 ZINC000126169539 426007737 /nfs/dbraw/zinc/00/77/37/426007737.db2.gz UUVNYGQDERESDJ-MRXNPFEDSA-N 3 0 319.493 2.619 20 0 DFADRP COC(=O)[C@@H](c1ccccc1C)N1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000163085140 426088288 /nfs/dbraw/zinc/08/82/88/426088288.db2.gz HBLRSAGPCDPOTP-KBAYOESNSA-N 2 0 316.445 2.625 20 0 DFADRP C[N@@H+](CCC(=O)Nc1ccc(F)cc1)CC[C@@H]1CCCC[NH+]1C ZINC000075860699 426088633 /nfs/dbraw/zinc/08/86/33/426088633.db2.gz XLODDOMUMLDTFT-KRWDZBQOSA-N 2 0 321.440 2.961 20 0 DFADRP CC[N@@H+]1CC[C@H](C[NH2+][C@@H]2CCCOc3ccc(OC)cc32)C1 ZINC000163223377 426093159 /nfs/dbraw/zinc/09/31/59/426093159.db2.gz DZPXPUAGGRHCAQ-RHSMWYFYSA-N 2 0 304.434 2.840 20 0 DFADRP CC[N@@H+]1CC[C@H](C[NH2+][C@@H](C)c2ccc3c(c2)C(C)(C)C(=O)N3)C1 ZINC000163234701 426093355 /nfs/dbraw/zinc/09/33/55/426093355.db2.gz WCGFCDCZVMAXAB-UONOGXRCSA-N 2 0 315.461 2.909 20 0 DFADRP CC[N@@H+]1CC[C@H](C[NH2+][C@@H](C)c2ccc(OCCOC)cc2)C1 ZINC000163241413 426094008 /nfs/dbraw/zinc/09/40/08/426094008.db2.gz NTSFWCVSBZYTRF-JKSUJKDBSA-N 2 0 306.450 2.704 20 0 DFADRP Cc1cc(C)cc([C@H](C)[NH2+]CCC[N@@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000127945437 426094586 /nfs/dbraw/zinc/09/45/86/426094586.db2.gz AVSNHEQSLUZTDZ-IRXDYDNUSA-N 2 0 317.477 2.541 20 0 DFADRP [NH3+][C@H](CC(=O)NCC[NH2+]C1CCCCCC1)c1ccccc1 ZINC000163278396 426095619 /nfs/dbraw/zinc/09/56/19/426095619.db2.gz MGNPDFMKKBBJFG-QGZVFWFLSA-N 2 0 303.450 2.505 20 0 DFADRP Cn1ccnc1CN1CC[NH+]([C@@H]2CCCc3ccccc32)CC1 ZINC000113254280 426108594 /nfs/dbraw/zinc/10/85/94/426108594.db2.gz NVPJZOJGYXFPDR-GOSISDBHSA-N 2 0 310.445 2.615 20 0 DFADRP C[C@@H]([NH2+]CCCN1CCC[N@H+](C)CC1)c1ccc(F)cc1F ZINC000128298538 426111300 /nfs/dbraw/zinc/11/13/00/426111300.db2.gz WXKSRXVCAGRDIX-CQSZACIVSA-N 2 0 311.420 2.643 20 0 DFADRP CC(C)[C@H]([NH3+])CC[N@H+](C)CCC(=O)Nc1cccc(Cl)c1 ZINC000128492204 426120609 /nfs/dbraw/zinc/12/06/09/426120609.db2.gz AXINEVPDXFTGHI-OAHLLOKOSA-N 2 0 311.857 2.974 20 0 DFADRP CC(C)[C@H]([NH3+])C(=O)NC[C@@H](c1ccccc1)[NH+]1CCC(C)CC1 ZINC000165724729 426123981 /nfs/dbraw/zinc/12/39/81/426123981.db2.gz YOHCNEMMNDGCQN-ROUUACIJSA-N 2 0 317.477 2.559 20 0 DFADRP CCC(CC)C(=O)N1CCC([NH2+][C@@H]2CC[N@H+](CC)C[C@@H]2C)CC1 ZINC000166047156 426125344 /nfs/dbraw/zinc/12/53/44/426125344.db2.gz VQKMTFKOQQYMSW-MAUKXSAKSA-N 2 0 323.525 2.734 20 0 DFADRP CCO[C@@H](CC[NH+](C)C)C[NH2+][C@@H](C)c1cc(F)cc(F)c1 ZINC000166004325 426125571 /nfs/dbraw/zinc/12/55/71/426125571.db2.gz BAXICSDNZRGBQE-LRDDRELGSA-N 2 0 300.393 2.972 20 0 DFADRP CC[N@H+](CC(=O)NC1CC[NH+](C(C)C)CC1)C1CCCCC1 ZINC000114455064 426136533 /nfs/dbraw/zinc/13/65/33/426136533.db2.gz BKHIUFOJZMDLOF-UHFFFAOYSA-N 2 0 309.498 2.630 20 0 DFADRP C[C@@H](C[NH2+]CCCC[NH+]1CCN(C)CC1)c1ccc(F)cc1 ZINC000127589496 426075344 /nfs/dbraw/zinc/07/53/44/426075344.db2.gz NEYZWQLBMURRAX-INIZCTEOSA-N 2 0 307.457 2.546 20 0 DFADRP C[C@H](C[NH2+][C@H](C)c1ccc2c(c1)CCCC2)N1CC[NH+](C)CC1 ZINC000127738578 426084200 /nfs/dbraw/zinc/08/42/00/426084200.db2.gz QNSYQDOQHHVCMQ-IAGOWNOFSA-N 2 0 315.505 2.852 20 0 DFADRP C[C@@H](C[NH2+][C@@H](C)c1ccc2c(c1)CCCC2)N1CC[NH+](C)CC1 ZINC000127737911 426084249 /nfs/dbraw/zinc/08/42/49/426084249.db2.gz QNSYQDOQHHVCMQ-IRXDYDNUSA-N 2 0 315.505 2.852 20 0 DFADRP C[C@@H]1C[C@H](N[C@@H]2CC[N@@H+](C)C[C@@H]2C)CC[NH+]1Cc1ccccc1 ZINC000129608969 426139964 /nfs/dbraw/zinc/13/99/64/426139964.db2.gz LKWZEJBIGSLATK-ONCXSQPRSA-N 2 0 315.505 2.969 20 0 DFADRP C[C@@H]1CN(C2CC[NH+](CCCCC(F)(F)F)CC2)CCO1 ZINC000133456447 426178028 /nfs/dbraw/zinc/17/80/28/426178028.db2.gz OAEMQGNXEBZLEK-CYBMUJFWSA-N 2 0 308.388 2.904 20 0 DFADRP C[C@H](C[NH+]1CCC(C[NH+]2CCOCC2)CC1)c1ccccc1 ZINC000116878507 426200060 /nfs/dbraw/zinc/20/00/60/426200060.db2.gz ILUMLBCBXJLJKD-QGZVFWFLSA-N 2 0 302.462 2.834 20 0 DFADRP CC1CC[NH+](CCN2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)CC1 ZINC000134906686 426200189 /nfs/dbraw/zinc/20/01/89/426200189.db2.gz BFLLMVVMAHLTGP-IEBWSBKVSA-N 2 0 305.510 2.667 20 0 DFADRP Cc1cc(C)c(C[NH+]2CCN(CC[NH+]3CCCC3)CC2)cc1C ZINC000171926476 426218600 /nfs/dbraw/zinc/21/86/00/426218600.db2.gz HIXNOGOAMNUYCZ-UHFFFAOYSA-N 2 0 315.505 2.825 20 0 DFADRP C[C@@H](C(=O)NC1CC[NH+](C2CCCC2)CC1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000175004203 426273773 /nfs/dbraw/zinc/27/37/73/426273773.db2.gz UHRBKIQXRTXHQJ-XHSDSOJGSA-N 2 0 321.509 2.771 20 0 DFADRP COCc1ccc(C[NH2+]CCCC[NH+]2C[C@H](C)O[C@@H](C)C2)cc1 ZINC000174315741 426253623 /nfs/dbraw/zinc/25/36/23/426253623.db2.gz AXJOONMCWKPEKM-IRXDYDNUSA-N 2 0 320.477 2.812 20 0 DFADRP C[C@H](c1ccc(F)cc1F)[N@H+](C)CCCN1CC[NH+](C)CC1 ZINC000174712824 426264301 /nfs/dbraw/zinc/26/43/01/426264301.db2.gz YZEPXXYHCSXRRV-CQSZACIVSA-N 2 0 311.420 2.595 20 0 DFADRP Cc1ccc(C)c([C@H](C)[NH2+]C2CCN(CC[NH+](C)C)CC2)c1 ZINC000150960565 426269391 /nfs/dbraw/zinc/26/93/91/426269391.db2.gz UHMWOLDOAOZXFE-KRWDZBQOSA-N 2 0 303.494 2.980 20 0 DFADRP [NH3+][C@H](CC(=O)N1CCC[C@H]1C[NH+]1CCCCC1)c1ccccc1 ZINC000119544325 426295966 /nfs/dbraw/zinc/29/59/66/426295966.db2.gz UDUFXGAKWDJMLP-ZWKOTPCHSA-N 2 0 315.461 2.553 20 0 DFADRP C[C@H]1C[C@@H](NC2CC[NH+](C3CC3)CC2)C[N@@H+]1Cc1ccccc1 ZINC000119567080 426297444 /nfs/dbraw/zinc/29/74/44/426297444.db2.gz OUZAJCDLBMRFPK-QFBILLFUSA-N 2 0 313.489 2.866 20 0 DFADRP CC(C)[C@H]([NH3+])CC[N@H+](C)Cc1ccc(-c2cnn(C)c2)s1 ZINC000339411239 268810465 /nfs/dbraw/zinc/81/04/65/268810465.db2.gz XBDCRWNELJPTKZ-OAHLLOKOSA-N 2 0 306.479 2.954 20 0 DFADRP CCC[C@@H]([NH2+]CC1CC[NH+](CCO)CC1)c1ccc(OC)cc1 ZINC000151798931 426312818 /nfs/dbraw/zinc/31/28/18/426312818.db2.gz DROLUJFLUOTGGJ-LJQANCHMSA-N 2 0 320.477 2.830 20 0 DFADRP OCC[NH+]1CCC(C[NH2+][C@H]2CCSc3ccccc32)CC1 ZINC000151813686 426313192 /nfs/dbraw/zinc/31/31/92/426313192.db2.gz IRJQQAZQYSLBTE-INIZCTEOSA-N 2 0 306.475 2.517 20 0 DFADRP CCN(CC)C(=O)C[C@H](C)[NH2+]C[C@H]1CCC[N@H+](CC(C)C)C1 ZINC000090585193 426329464 /nfs/dbraw/zinc/32/94/64/426329464.db2.gz NVRRXPYLBQOPSF-DLBZAZTESA-N 2 0 311.514 2.591 20 0 DFADRP C[NH+](C)CCOc1cc(C[NH2+][C@@H]2CCc3ccccc32)ccn1 ZINC000090936937 426333363 /nfs/dbraw/zinc/33/33/63/426333363.db2.gz QLLCVACJLNNHFD-GOSISDBHSA-N 2 0 311.429 2.799 20 0 DFADRP C[C@@H]([NH2+]Cc1ccnc(OCC[NH+](C)C)c1)c1cccs1 ZINC000090937318 426334752 /nfs/dbraw/zinc/33/47/52/426334752.db2.gz VUWDNIZGOYAGML-CYBMUJFWSA-N 2 0 305.447 2.934 20 0 DFADRP Cc1nn(C)cc1CN(C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000119309072 426277338 /nfs/dbraw/zinc/27/73/38/426277338.db2.gz NDFXHEFYLFPTTR-UHFFFAOYSA-N 2 0 312.461 2.825 20 0 DFADRP COC(=O)c1ccc(CN2CCC[C@@H]([NH+]3CCCC3)CC2)s1 ZINC000119329477 426279739 /nfs/dbraw/zinc/27/97/39/426279739.db2.gz XCEKFNJTSKNASR-CQSZACIVSA-N 2 0 322.474 2.985 20 0 DFADRP Cc1ccc(N2CCC[NH+](CC[C@@H]3CCC[N@H+]3C)CC2)cc1 ZINC000119357675 426282012 /nfs/dbraw/zinc/28/20/12/426282012.db2.gz WWTDPOKLYJOJTN-SFHVURJKSA-N 2 0 301.478 2.991 20 0 DFADRP CC(C)C[C@@H](CO)[NH2+][C@@H](C)c1ccc(OCC[NH+](C)C)cc1 ZINC000151183912 426282935 /nfs/dbraw/zinc/28/29/35/426282935.db2.gz PQZVCUXJTARPDQ-RDJZCZTQSA-N 2 0 308.466 2.685 20 0 DFADRP C[C@H]([NH2+]C[C@H](O)C[NH+]1CCCCC1)C(C)(C)c1ccccc1 ZINC000151252837 426285754 /nfs/dbraw/zinc/28/57/54/426285754.db2.gz WOTDWAXHPDLFSW-WMZOPIPTSA-N 2 0 304.478 2.789 20 0 DFADRP CSC[C@](C)(O)C[NH2+]C1CC[NH+](CC2CCCCC2)CC1 ZINC000153649949 426396322 /nfs/dbraw/zinc/39/63/22/426396322.db2.gz MEOSDZHJUSYULJ-QGZVFWFLSA-N 2 0 314.539 2.735 20 0 DFADRP COCC[N@H+](C)CCCN[C@H]1CCCOc2ccc(F)cc21 ZINC000153741426 426403295 /nfs/dbraw/zinc/40/32/95/426403295.db2.gz DBCDEZOFIWOMHV-INIZCTEOSA-N 2 0 310.413 2.597 20 0 DFADRP CC[C@H]([NH2+]C[C@H]1CC[N@@H+](C2CC2)C1)c1ccc2c(c1)OCCO2 ZINC000152408996 426341646 /nfs/dbraw/zinc/34/16/46/426341646.db2.gz RQEUDFLSYXFNCZ-PBHICJAKSA-N 2 0 316.445 2.983 20 0 DFADRP C[C@@H]([NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1)c1ccc([S@@](C)=O)cc1 ZINC000152447709 426342715 /nfs/dbraw/zinc/34/27/15/426342715.db2.gz RKNVNTYAVAQOKA-YPENRWOSSA-N 2 0 306.475 2.559 20 0 DFADRP C[C@@H]1C[C@@H]([NH2+]C[C@H](NC(=O)OC(C)(C)C)C2CC2)CN1C1CC1 ZINC000121611975 426351365 /nfs/dbraw/zinc/35/13/65/426351365.db2.gz SVFBHXOJDXEJBF-XPKDYRNWSA-N 2 0 323.481 2.505 20 0 DFADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CCN(c3ccc(F)cc3)C2)[C@H](C)C1 ZINC000152778725 426354289 /nfs/dbraw/zinc/35/42/89/426354289.db2.gz VCEKSQYOAKTGFP-GJYPPUQNSA-N 2 0 319.468 2.972 20 0 DFADRP C[C@@H](C(=O)NC[C@@H](c1cccs1)[NH+](C)C)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000121939480 426356409 /nfs/dbraw/zinc/35/64/09/426356409.db2.gz HASIXLBVKBBKJG-XGUBFFRZSA-N 2 0 323.506 2.728 20 0 DFADRP C[C@@H]([NH2+][C@@H](C)c1ccc(OCC[NH+](C)C)cc1)[C@@H]1CCCO1 ZINC000152845815 426357764 /nfs/dbraw/zinc/35/77/64/426357764.db2.gz BIAXOSAJVPJZME-DAYGRLMNSA-N 2 0 306.450 2.845 20 0 DFADRP C[C@@H]([NH3+])[C@@H]1CCCCN1C(=O)c1cccc(C[NH+]2CCCC2)c1 ZINC000122159637 426361916 /nfs/dbraw/zinc/36/19/16/426361916.db2.gz OANSUNDQWSSHDC-QAPCUYQASA-N 2 0 315.461 2.624 20 0 DFADRP CC[C@H]1C[N@H+](CCC(=O)Nc2ccccc2Cl)CC[C@@H]1[NH3+] ZINC000122747674 426391844 /nfs/dbraw/zinc/39/18/44/426391844.db2.gz VVZJIJSEHUDKRY-JSGCOSHPSA-N 2 0 309.841 2.728 20 0 DFADRP CC[NH2+]Cc1cccc(NC(=O)[C@H](C)[NH+]2CCCCCC2)c1 ZINC000123092762 426413757 /nfs/dbraw/zinc/41/37/57/426413757.db2.gz LUMGTMUFPCEUGM-HNNXBMFYSA-N 2 0 303.450 2.999 20 0 DFADRP CC[C@@H](C[NH2+][C@@H](C)c1cnn(C)c1)N1CCc2ccccc2C1 ZINC000123106270 426413858 /nfs/dbraw/zinc/41/38/58/426413858.db2.gz JLXALQDSEDDKBX-KXBFYZLASA-N 2 0 312.461 2.908 20 0 DFADRP C[C@H](C[NH2+][C@H]1CCN([C@@H](C)c2ccccc2)C1)Cn1ccnc1 ZINC000176836106 426418772 /nfs/dbraw/zinc/41/87/72/426418772.db2.gz NWNKPACZZLVITA-AOIWGVFYSA-N 3 0 312.461 2.944 20 0 DFADRP C[C@@H](C[NH2+][C@@H]1CCN([C@@H](C)c2ccccc2)C1)Cn1ccnc1 ZINC000176836061 426419107 /nfs/dbraw/zinc/41/91/07/426419107.db2.gz NWNKPACZZLVITA-JENIJYKNSA-N 3 0 312.461 2.944 20 0 DFADRP CC[NH+]1CCN(CCC[NH2+][C@@H]2CCc3ccc(C)cc32)CC1 ZINC000154301052 426434290 /nfs/dbraw/zinc/43/42/90/426434290.db2.gz KBRAIUFYMNEOEP-LJQANCHMSA-N 2 0 301.478 2.600 20 0 DFADRP CC[NH+]1CCN(CCC[NH2+][C@@H]2CCCOc3ccccc32)CC1 ZINC000154294497 426434438 /nfs/dbraw/zinc/43/44/38/426434438.db2.gz YKMNKGHGMMXOAU-GOSISDBHSA-N 2 0 317.477 2.518 20 0 DFADRP CCC(CC)NC(=O)[C@H](C)[NH+]1CCC(CCC[NH+](C)C)CC1 ZINC000123478359 426436294 /nfs/dbraw/zinc/43/62/94/426436294.db2.gz ZWJFQRIOQQKURS-HNNXBMFYSA-N 2 0 311.514 2.734 20 0 DFADRP C[C@]1(CN2CCC[N@H+](CCCc3ccccc3)CC2)CC[NH2+]C1 ZINC000340708677 269002424 /nfs/dbraw/zinc/00/24/24/269002424.db2.gz KOOQFUUDQAPTJB-FQEVSTJZSA-N 2 0 315.505 2.627 20 0 DFADRP CS[C@H]1CN(c2cc[nH+]c3cc(F)ccc32)C[C@@H]1[NH+](C)C ZINC000340739630 269006099 /nfs/dbraw/zinc/00/60/99/269006099.db2.gz GYOQTQBWBYQOFL-HOTGVXAUSA-N 2 0 305.422 2.856 20 0 DFADRP COC(=O)c1oc([C@@H](C)[NH+]2CCC(C[NH+](C)C)CC2)cc1C ZINC000340762991 269008398 /nfs/dbraw/zinc/00/83/98/269008398.db2.gz DJSJOJHCAJGSGW-CYBMUJFWSA-N 2 0 308.422 2.709 20 0 DFADRP C[C@@H]1CCCC[N@@H+]1CCC[NH2+]C1CCN(c2ccccn2)CC1 ZINC000123753153 426451833 /nfs/dbraw/zinc/45/18/33/426451833.db2.gz WLTXRSXDCWFYQE-QGZVFWFLSA-N 3 0 316.493 2.905 20 0 DFADRP CCC[NH+](CCC)CCCC(=O)N[C@@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000177216877 426454992 /nfs/dbraw/zinc/45/49/92/426454992.db2.gz SHXHNFMVYGMDPI-JKSUJKDBSA-N 2 0 309.498 2.630 20 0 DFADRP CC(C)[C@@H](Cc1ccc(F)cc1)[NH2+][C@@H](C)CN1CC[NH+](C)CC1 ZINC000155018221 426462153 /nfs/dbraw/zinc/46/21/53/426462153.db2.gz FUWCGHGGMFENOP-QFBILLFUSA-N 2 0 321.484 2.618 20 0 DFADRP Cc1cccc(C[C@@H]([NH2+][C@H](C)CN2CC[NH+](C)CC2)C2CC2)c1 ZINC000155114932 426464638 /nfs/dbraw/zinc/46/46/38/426464638.db2.gz XMXXMQKYDDMUEU-YLJYHZDGSA-N 2 0 315.505 2.542 20 0 DFADRP CC1(C)CC([NH2+]C2CCN(c3ccccn3)CC2)CC(C)(C)[NH2+]1 ZINC000124027054 426466247 /nfs/dbraw/zinc/46/62/47/426466247.db2.gz GPWUDDCAKXKSQS-UHFFFAOYSA-N 2 0 316.493 2.949 20 0 DFADRP C[C@@H]1CCCC[N@@H+]1CCCNC(=O)c1cccc(C[NH+](C)C)c1 ZINC000155526810 426473558 /nfs/dbraw/zinc/47/35/58/426473558.db2.gz QGSSAEQFXZZQPR-MRXNPFEDSA-N 2 0 317.477 2.743 20 0 DFADRP CCCOc1cccc(C[NH2+][C@H](C)CCN2CCOCC2)c1 ZINC000124220997 426475403 /nfs/dbraw/zinc/47/54/03/426475403.db2.gz DDKYBVJJPPNMQZ-MRXNPFEDSA-N 2 0 306.450 2.676 20 0 DFADRP COCc1cc([C@H](C)[NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)ccc1OC ZINC000124343665 426480902 /nfs/dbraw/zinc/48/09/02/426480902.db2.gz UYTVEZDIWKAMJZ-LSDHHAIUSA-N 2 0 318.461 2.977 20 0 DFADRP Cc1ccsc1[C@@H](C)[NH2+]CC1CC[NH+](CCN(C)C)CC1 ZINC000124416914 426483962 /nfs/dbraw/zinc/48/39/62/426483962.db2.gz UHGPZQMFHFNMTP-OAHLLOKOSA-N 2 0 309.523 2.981 20 0 DFADRP Cc1cc(C[NH+]2CCC(CC[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)on1 ZINC000177487670 426488850 /nfs/dbraw/zinc/48/88/50/426488850.db2.gz LYVQTHZPJRVLHQ-IYBDPMFKSA-N 2 0 321.465 2.694 20 0 DFADRP CC[N@@H+]1CC[C@H]([NH2+]C2CCC(O)(c3cccnc3)CC2)[C@H](C)C1 ZINC000186335548 426508526 /nfs/dbraw/zinc/50/85/26/426508526.db2.gz NHZXGVJWJWHYCB-IZIZEDOESA-N 2 0 317.477 2.532 20 0 DFADRP COC(=O)C[C@@H]1CC[C@H]([NH2+]Cc2cccc(C[NH+](C)C)c2)[C@@H]1C ZINC000280161709 426509564 /nfs/dbraw/zinc/50/95/64/426509564.db2.gz FQRBARLHPNCABI-JLSDUUJJSA-N 2 0 318.461 2.816 20 0 DFADRP C[C@H]1C[C@@H]([NH2+]CCc2cn(C)c3cc(F)ccc23)CC[N@@H+]1C ZINC000186413396 426523781 /nfs/dbraw/zinc/52/37/81/426523781.db2.gz CAKBCCGWOXGRBP-BBRMVZONSA-N 2 0 303.425 2.932 20 0 DFADRP CCOc1ccc([C@H](C)[NH2+][C@H](C)CCN2CC[NH+](C)CC2)cc1 ZINC000186574402 426554852 /nfs/dbraw/zinc/55/48/52/426554852.db2.gz DFWRJLJWUBVQRQ-SJORKVTESA-N 2 0 319.493 2.762 20 0 DFADRP OCc1ccc(C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)cc1 ZINC000272498595 426539635 /nfs/dbraw/zinc/53/96/35/426539635.db2.gz NQXOYQPRFCTPEZ-HKUYNNGSSA-N 2 0 300.446 2.628 20 0 DFADRP COc1ccc(OC)c(CC[NH2+][C@H]2C[C@H](C)[N@H+](C)C[C@H]2C)c1 ZINC000177956112 426546153 /nfs/dbraw/zinc/54/61/53/426546153.db2.gz DHEFZULVKBHMQS-KEYYUXOJSA-N 2 0 306.450 2.565 20 0 DFADRP CCCOc1ccc([C@@H](C)[NH2+][C@@H](C)CN2CC[NH+](C)CC2)cc1 ZINC000177969831 426546641 /nfs/dbraw/zinc/54/66/41/426546641.db2.gz IOELBNGISZWVHO-DLBZAZTESA-N 2 0 319.493 2.762 20 0 DFADRP CC[NH+]1CCC([NH2+]CCCOCCOCc2ccccc2)CC1 ZINC000272523656 426546978 /nfs/dbraw/zinc/54/69/78/426546978.db2.gz IEFFWQQEKNPFCM-UHFFFAOYSA-N 2 0 320.477 2.684 20 0 DFADRP Cc1nccn1CCC[N@H+]1C[C@@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000280325739 426548890 /nfs/dbraw/zinc/54/88/90/426548890.db2.gz GXULQIAKBCWULN-BGYRXZFFSA-N 2 0 324.472 2.645 20 0 DFADRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+][C@H](C)c1cc(F)cc(F)c1 ZINC000186569640 426552589 /nfs/dbraw/zinc/55/25/89/426552589.db2.gz WUVBZPSXGLOSLY-ZIAGYGMSSA-N 2 0 311.420 2.641 20 0 DFADRP COc1ccc([C@@H](C)[NH2+][C@H](C)CCN2CC[NH+](C)CC2)cc1F ZINC000186569804 426553378 /nfs/dbraw/zinc/55/33/78/426553378.db2.gz MKSFPGSCXWYNCN-HUUCEWRRSA-N 2 0 323.456 2.511 20 0 DFADRP CCO[C@H]1C[C@H]([NH2+]C2CC(C)(C)[NH2+]C(C)(C)C2)C12CCOCC2 ZINC000186211965 426494139 /nfs/dbraw/zinc/49/41/39/426494139.db2.gz FWLYRCDMLBQOOU-HOTGVXAUSA-N 2 0 324.509 2.859 20 0 DFADRP CCC[NH+](CCC)CCCC(=O)N[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000177564388 426495420 /nfs/dbraw/zinc/49/54/20/426495420.db2.gz ULUXNVQUTXKBHK-IAGOWNOFSA-N 2 0 311.514 2.878 20 0 DFADRP CCC[NH+](CCC)CCCC(=O)N[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000177564360 426495966 /nfs/dbraw/zinc/49/59/66/426495966.db2.gz ULUXNVQUTXKBHK-SJORKVTESA-N 2 0 311.514 2.878 20 0 DFADRP C[C@@H](CCC1CC1)[NH2+]Cc1cccnc1N1CC[NH+](C)CC1 ZINC000186283262 426500596 /nfs/dbraw/zinc/50/05/96/426500596.db2.gz AJIFFNOUOHFQAW-HNNXBMFYSA-N 2 0 302.466 2.502 20 0 DFADRP CC[C@H]([NH2+]C[C@H]1CC[N@H+](Cc2ccccc2)C1)c1cnn(C)c1 ZINC000195136307 426501827 /nfs/dbraw/zinc/50/18/27/426501827.db2.gz HCRMZRALENMXEA-MJGOQNOKSA-N 2 0 312.461 2.983 20 0 DFADRP CC(C)c1nc([C@H](C)[NH2+]C[C@@H](C)CN2CC[NH+](C)CC2)cs1 ZINC000186318440 426503585 /nfs/dbraw/zinc/50/35/85/426503585.db2.gz RGAXRWUGNVZGGI-CABCVRRESA-N 2 0 324.538 2.801 20 0 DFADRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+][C@@H](C)CCc1ccc(F)cc1 ZINC000186577302 426554302 /nfs/dbraw/zinc/55/43/02/426554302.db2.gz YHGUFKWVJMPEGR-DLBZAZTESA-N 2 0 321.484 2.762 20 0 DFADRP C[C@H](N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)[C@@H](c1ccccc1)[NH+](C)C ZINC000186321349 426504261 /nfs/dbraw/zinc/50/42/61/426504261.db2.gz FSNRUUGKPDLDJO-AITUJVMLSA-N 2 0 301.478 2.894 20 0 DFADRP COc1ccc([C@H](C)[NH2+]C[C@H](C)CN2CC[NH+](C)CC2)cc1C ZINC000273086460 426589706 /nfs/dbraw/zinc/58/97/06/426589706.db2.gz QKTSYILNURGWPE-RDJZCZTQSA-N 2 0 319.493 2.538 20 0 DFADRP C[C@H](NC[C@H](C1CC1)[N@H+](C)Cc1ccccc1)c1nccn1C ZINC000186876492 426602883 /nfs/dbraw/zinc/60/28/83/426602883.db2.gz YWKOHEMOBWHWSY-MAUKXSAKSA-N 2 0 312.461 2.981 20 0 DFADRP CCC(C)(C)[NH2+][C@H](C)C(=O)NCc1ccc(F)c(C[NH+](C)C)c1 ZINC000273170217 426607437 /nfs/dbraw/zinc/60/74/37/426607437.db2.gz DUJFQGGGCCTFBV-CYBMUJFWSA-N 2 0 323.456 2.670 20 0 DFADRP C[C@@H](CCN1CC[NH+](C)CC1)[NH2+][C@@H]1CC(C)(C)Cc2occc21 ZINC000186586722 426556615 /nfs/dbraw/zinc/55/66/15/426556615.db2.gz NWAPUFFRYYQNPD-DOTOQJQBSA-N 2 0 319.493 2.909 20 0 DFADRP CC[C@H](Cc1ccccc1)[NH2+][C@@H](C)CCN1CC[NH+](C)CC1 ZINC000186589933 426558838 /nfs/dbraw/zinc/55/88/38/426558838.db2.gz HCMDMUWKUJSYJC-PKOBYXMFSA-N 2 0 303.494 2.623 20 0 DFADRP Cc1cc(C)cc([C@@H](C)[NH2+][C@H](C)CCN2CC[NH+](C)CC2)c1 ZINC000186602136 426561810 /nfs/dbraw/zinc/56/18/10/426561810.db2.gz NIHAOCKDXVLREJ-QZTJIDSGSA-N 2 0 303.494 2.980 20 0 DFADRP C[C@@H](CCN1CC[NH+](C)CC1)[NH2+][C@@H](C)c1ccc2c(c1)CCC2 ZINC000186605009 426563005 /nfs/dbraw/zinc/56/30/05/426563005.db2.gz IZCJZCBENVZBEO-IRXDYDNUSA-N 2 0 315.505 2.852 20 0 DFADRP C[N@H+](C[C@@H](O)Cc1ccc2ccccc2c1)C[C@@H]1CC[NH+](C)C1 ZINC000280391459 426564300 /nfs/dbraw/zinc/56/43/00/426564300.db2.gz WWNDNULQZZOKMX-XLIONFOSSA-N 2 0 312.457 2.627 20 0 DFADRP [NH3+][C@@H]1CCC[C@H]2CN(Cc3cn4cc(Cl)ccc4n3)C[C@H]21 ZINC000228474384 426632105 /nfs/dbraw/zinc/63/21/05/426632105.db2.gz PWGCWPHWBIVESN-NILFDRSVSA-N 2 0 304.825 2.547 20 0 DFADRP CN1CC[NH+](CC2CC[NH+](Cc3ccc(Cl)cc3)CC2)CC1 ZINC000265444039 426639277 /nfs/dbraw/zinc/63/92/77/426639277.db2.gz QXSUMAYWGNCQPU-UHFFFAOYSA-N 2 0 321.896 2.799 20 0 DFADRP c1c[nH]c(C2CC[NH+](Cc3ccc(-n4ccnc4)cc3)CC2)n1 ZINC000265490980 426646516 /nfs/dbraw/zinc/64/65/16/426646516.db2.gz NATTXGMSBSHEQG-UHFFFAOYSA-N 2 0 307.401 2.975 20 0 DFADRP c1c2ccccc2oc1C[NH+]1CCC(C[NH+]2CCOCC2)CC1 ZINC000178526933 426647713 /nfs/dbraw/zinc/64/77/13/426647713.db2.gz PWOCRPUHIDGSRC-UHFFFAOYSA-N 2 0 314.429 2.977 20 0 DFADRP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)Cc2cc3ccccc3o2)CC1 ZINC000178529938 426649018 /nfs/dbraw/zinc/64/90/18/426649018.db2.gz NVGCAMCIEJIPFK-OAHLLOKOSA-N 2 0 316.445 2.957 20 0 DFADRP CN(CC[N@H+](C)CCCCc1ccccc1)C1CC[NH+](C)CC1 ZINC000187363713 426653479 /nfs/dbraw/zinc/65/34/79/426653479.db2.gz ZTBAXAVMBPNIDT-UHFFFAOYSA-N 2 0 317.521 2.967 20 0 DFADRP Cc1ccc(F)c(C[NH+]2CCC(C[NH+]3CCN(C)CC3)CC2)c1 ZINC000289427062 426654509 /nfs/dbraw/zinc/65/45/09/426654509.db2.gz KAPRWQRFLGJAEP-UHFFFAOYSA-N 2 0 319.468 2.594 20 0 DFADRP C[C@H]1CN(CCC(=O)Nc2c(Cl)cccc2Cl)C[C@@H]1[NH3+] ZINC000235670369 426659905 /nfs/dbraw/zinc/65/99/05/426659905.db2.gz IPGFRGGEPDLSQX-CABZTGNLSA-N 2 0 316.232 2.601 20 0 DFADRP C[C@@H]1C[C@@H]([NH2+]CC2CC[NH+](Cc3ccccc3)CC2)CC[N@@H+]1C ZINC000178634566 426667958 /nfs/dbraw/zinc/66/79/58/426667958.db2.gz PYJONMFCDLNGBD-XLIONFOSSA-N 3 0 315.505 2.971 20 0 DFADRP C[C@@H](C[NH2+]C[C@@H](O)C[NH+]1CCCCC1)c1cccc(Cl)c1 ZINC000187708624 426687321 /nfs/dbraw/zinc/68/73/21/426687321.db2.gz JTDGSJBXZSKANX-WMLDXEAASA-N 2 0 310.869 2.880 20 0 DFADRP CC(C)(C)[C@H]([NH3+])C(=O)Nc1ccc(CC[NH+]2CCCC2)cc1 ZINC000236706134 426679255 /nfs/dbraw/zinc/67/92/55/426679255.db2.gz JFXJYWNTQNWZHX-MRXNPFEDSA-N 2 0 303.450 2.637 20 0 DFADRP CC(C)[C@@H](CNC(=O)CCC1CC[NH2+]CC1)[NH+]1CCC(C)CC1 ZINC000236726335 426680850 /nfs/dbraw/zinc/68/08/50/426680850.db2.gz MGARESQXDLPWMC-GOSISDBHSA-N 2 0 323.525 2.639 20 0 DFADRP CC(C)[C@H]([NH3+])C(=O)NCc1ccccc1C[N@@H+]1CCC[C@H](C)C1 ZINC000236763822 426684326 /nfs/dbraw/zinc/68/43/26/426684326.db2.gz VBGZLLWFJHBSHL-YJBOKZPZSA-N 2 0 317.477 2.518 20 0 DFADRP CC(C)[C@H]([NH3+])C(=O)NCc1ccc(C[N@@H+]2CCCC[C@H]2C)cc1 ZINC000236767630 426684500 /nfs/dbraw/zinc/68/45/00/426684500.db2.gz XIDRIGNKGBXTGQ-QAPCUYQASA-N 2 0 317.477 2.661 20 0 DFADRP COc1cc(C)c([C@H](C)[NH2+][C@H](C)CN2CC[NH+](C)CC2)cc1C ZINC000273242565 426623435 /nfs/dbraw/zinc/62/34/35/426623435.db2.gz YYFSYKWUEJDURP-SJORKVTESA-N 2 0 319.493 2.599 20 0 DFADRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@H](c1cccnc1)C1CCC1 ZINC000280947121 426690705 /nfs/dbraw/zinc/69/07/05/426690705.db2.gz SXGXHZRMSVYFQG-MSOLQXFVSA-N 2 0 305.466 2.869 20 0 DFADRP C[C@H]([NH2+][C@@H](CO)CC1CCC1)c1ccc(OCC[NH+](C)C)cc1 ZINC000280939822 426689316 /nfs/dbraw/zinc/68/93/16/426689316.db2.gz ISJYUGDBFLQYQW-MAUKXSAKSA-N 2 0 320.477 2.829 20 0 DFADRP CO[C@H](C)[C@@H](C)[NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]12 ZINC000290145208 426703160 /nfs/dbraw/zinc/70/31/60/426703160.db2.gz KYBJVUJHGOXVDX-POGZOPGASA-N 2 0 302.462 2.910 20 0 DFADRP COC[C@@H]([NH2+]C[C@@H](c1ccc(C)cc1)N(C)C)C1CCOCC1 ZINC000187889683 426703371 /nfs/dbraw/zinc/70/33/71/426703371.db2.gz MUAVNUHEJKPMSF-MOPGFXCFSA-N 2 0 320.477 2.629 20 0 DFADRP CCCOc1ccc([C@@H](C)[NH2+]C[C@@H](C)N2CC[NH+](C)CC2)cc1 ZINC000178774632 426691703 /nfs/dbraw/zinc/69/17/03/426691703.db2.gz OHCIEAJXZKUORJ-IAGOWNOFSA-N 2 0 319.493 2.762 20 0 DFADRP C[C@H]1C[C@@H](NC(=O)CCCCCC[NH3+])C[N@@H+]1Cc1ccccc1 ZINC000237539910 426694582 /nfs/dbraw/zinc/69/45/82/426694582.db2.gz UXZZMEKYUTWUKY-FUHWJXTLSA-N 2 0 317.477 2.675 20 0 DFADRP [NH3+]Cc1ccc(C(=O)NC[C@@H]2CCC[N@@H+]2Cc2ccccc2)cc1 ZINC000237970354 426701080 /nfs/dbraw/zinc/70/10/80/426701080.db2.gz HMIVYXREFMDOIV-IBGZPJMESA-N 2 0 323.440 2.540 20 0 DFADRP Cc1nn(C)cc1C[NH2+][C@H]1c2ccccc2CC[C@H]1n1ccnc1 ZINC000290464655 426770333 /nfs/dbraw/zinc/77/03/33/426770333.db2.gz NFISHCROZVUALO-MOPGFXCFSA-N 2 0 321.428 2.943 20 0 DFADRP COC(=O)C1(C[NH2+]C2CC[NH+]([C@@H]3CCC[C@@H](C)C3)CC2)CC1 ZINC000188676325 426777551 /nfs/dbraw/zinc/77/75/51/426777551.db2.gz GYKBEFPXLZPAKZ-GDBMZVCRSA-N 2 0 308.466 2.572 20 0 DFADRP C[C@@H](c1cccnc1)[NH+]1CCC(OCC[NH+]2CCCC2)CC1 ZINC000266791717 426778447 /nfs/dbraw/zinc/77/84/47/426778447.db2.gz ZVWOJUVVYONODW-INIZCTEOSA-N 2 0 303.450 2.719 20 0 DFADRP COc1cc([C@H](C)[NH2+]C[C@H]2CN(CC(C)C)CCO2)ccc1F ZINC000179393698 426785605 /nfs/dbraw/zinc/78/56/05/426785605.db2.gz TZLNQHKMIVHODZ-HOCLYGCPSA-N 2 0 324.440 2.842 20 0 DFADRP CCO[C@@H]1C[C@H]([NH2+]CCCC[NH+]2C[C@@H](C)O[C@H](C)C2)C1(C)C ZINC000245949669 426787700 /nfs/dbraw/zinc/78/77/00/426787700.db2.gz WHIHQPXGKCRYKE-WCXIOVBPSA-N 2 0 312.498 2.669 20 0 DFADRP O[C@@H](CC[N@@H+]1CC[C@H](CNc2ccccn2)C1)c1ccccc1 ZINC000290275718 426730099 /nfs/dbraw/zinc/73/00/99/426730099.db2.gz LTRDCQLCPHPFFJ-AEFFLSMTSA-N 2 0 311.429 2.939 20 0 DFADRP CC[NH+]1CCC(CC[NH2+]Cc2cc(OC)c(O)c(OC)c2)CC1 ZINC000290290655 426734497 /nfs/dbraw/zinc/73/44/97/426734497.db2.gz GZGHREOHQUEEHC-UHFFFAOYSA-N 2 0 322.449 2.621 20 0 DFADRP CC[N@@H+]1CC[C@@H]([NH+](C)CCC(=O)Nc2ccccc2F)[C@@H](C)C1 ZINC000245429366 426737291 /nfs/dbraw/zinc/73/72/91/426737291.db2.gz NBWNCCSMPUGYJC-WMLDXEAASA-N 2 0 321.440 2.816 20 0 DFADRP COc1cc([C@H](C)[NH2+]CCCC[N@@H+]2CCC[C@H]2CO)ccc1F ZINC000245501693 426745188 /nfs/dbraw/zinc/74/51/88/426745188.db2.gz DFYJFXVQWOAKRZ-HOCLYGCPSA-N 2 0 324.440 2.722 20 0 DFADRP Cc1cc(N2CCC(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)cc[nH+]1 ZINC000274355045 426750392 /nfs/dbraw/zinc/75/03/92/426750392.db2.gz LPAFUGNXXMYVHU-IYBDPMFKSA-N 2 0 303.450 2.716 20 0 DFADRP Cc1cc(N2CCC(C[NH+]3C[C@@H](C)O[C@H](C)C3)CC2)cc[nH+]1 ZINC000274355044 426750821 /nfs/dbraw/zinc/75/08/21/426750821.db2.gz LPAFUGNXXMYVHU-HZPDHXFCSA-N 2 0 303.450 2.716 20 0 DFADRP CCn1nc(CN(C)[C@H]2CC[N@H+](C)C[C@H]2C)c2ccccc21 ZINC000290405988 426757491 /nfs/dbraw/zinc/75/74/91/426757491.db2.gz JSPLKQCPLMLKRE-PBHICJAKSA-N 2 0 300.450 2.828 20 0 DFADRP CC(C)n1ccc(CN2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)n1 ZINC000179176155 426765324 /nfs/dbraw/zinc/76/53/24/426765324.db2.gz VHJHETFZAQEUPY-QAPCUYQASA-N 2 0 302.466 2.913 20 0 DFADRP COCC[C@H]1CCC[C@@H]1[NH2+]Cc1ccc(OCC[NH+](C)C)cc1 ZINC000281955065 426800732 /nfs/dbraw/zinc/80/07/32/426800732.db2.gz ARRZGETVVPWOBK-MJGOQNOKSA-N 2 0 320.477 2.922 20 0 DFADRP C[NH+]1CCC([C@@H]2CC[N@H+](Cc3ccc4c(c3)OCCO4)C2)CC1 ZINC000290658103 426813917 /nfs/dbraw/zinc/81/39/17/426813917.db2.gz ZLWRQWXAJOGLHL-QGZVFWFLSA-N 2 0 316.445 2.622 20 0 DFADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]C[C@@H]1COC2(CCCCCC2)O1 ZINC000180010751 426831132 /nfs/dbraw/zinc/83/11/32/426831132.db2.gz NAYABOAAYANNEZ-VQHPVUNQSA-N 2 0 310.482 2.771 20 0 DFADRP C[C@H]([NH2+]C[C@@H]1CCC[C@@H]1O)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000274941694 426858101 /nfs/dbraw/zinc/85/81/01/426858101.db2.gz SZXHEBRXCKNBGO-KANFNMMFSA-N 2 0 302.462 2.648 20 0 DFADRP C[C@@H]([NH2+][C@@H]1CCCC[C@H]1O)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000274802307 426839180 /nfs/dbraw/zinc/83/91/80/426839180.db2.gz RLMUSIKGXREWJD-QXCFHYIPSA-N 2 0 302.462 2.790 20 0 DFADRP CC[N@@H+]1CC[C@H]([NH+](C)CCC(=O)N(C)c2ccccc2)[C@@H](C)C1 ZINC000246506557 426840675 /nfs/dbraw/zinc/84/06/75/426840675.db2.gz HYKDENQFQPNTBO-WMZOPIPTSA-N 2 0 317.477 2.702 20 0 DFADRP CC(C)[C@](C)(O)C[NH2+][C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000180165315 426841092 /nfs/dbraw/zinc/84/10/92/426841092.db2.gz MBEMJSNVAZOCAI-VNTMZGSJSA-N 2 0 316.489 2.894 20 0 DFADRP C[C@H](C[NH2+]CCN1CC[N@H+](C)C(C)(C)C1)c1ccc(F)cc1 ZINC000282232152 426858299 /nfs/dbraw/zinc/85/82/99/426858299.db2.gz FPLHKEPTGOZOIG-OAHLLOKOSA-N 2 0 307.457 2.545 20 0 DFADRP O[C@H](CNc1ccncc1Cl)C[N@@H+]1CCc2ccccc2C1 ZINC000267251072 426856187 /nfs/dbraw/zinc/85/61/87/426856187.db2.gz IPBAIZGGWQLEFR-OAHLLOKOSA-N 2 0 317.820 2.566 20 0 DFADRP CC[NH+](CC)[C@H](C(=O)NC[C@@H]1CC[N@H+](CC)C1)c1ccccc1 ZINC000246050070 426793151 /nfs/dbraw/zinc/79/31/51/426793151.db2.gz VALMPTNGRGORFT-WMZOPIPTSA-N 2 0 317.477 2.528 20 0 DFADRP CC(C)[NH+]1CCC([N@H+](C)CCOCCOc2ccccc2)CC1 ZINC000337679397 426916878 /nfs/dbraw/zinc/91/68/78/426916878.db2.gz MQUDLNINQQBSOB-UHFFFAOYSA-N 2 0 320.477 2.887 20 0 DFADRP C[C@@H](C(=O)Nc1ccc(CC[NH+](C)C)cc1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000275786284 426919655 /nfs/dbraw/zinc/91/96/55/426919655.db2.gz IMRSDZMNPPACIW-XHSDSOJGSA-N 2 0 317.477 2.991 20 0 DFADRP Cc1cc(N2C[C@@H](C)[C@@H]([NH+]3CCOCC3)C2)c2ccccc2[nH+]1 ZINC000267569539 426882049 /nfs/dbraw/zinc/88/20/49/426882049.db2.gz WRYSPMDRSZPTQL-KUHUBIRLSA-N 2 0 311.429 2.700 20 0 DFADRP CSC[C@](C)(O)C[NH2+]C1CC[NH+]([C@H]2CCC[C@H](C)C2)CC1 ZINC000305127902 426884050 /nfs/dbraw/zinc/88/40/50/426884050.db2.gz LXRXNFNJVYGKGQ-BHYGNILZSA-N 2 0 314.539 2.733 20 0 DFADRP CC[NH+](CC)[C@@H](C)CNC(=O)Nc1ccccc1CC[NH+](C)C ZINC000275651507 426884925 /nfs/dbraw/zinc/88/49/25/426884925.db2.gz MXDSDKZSUHMITG-HNNXBMFYSA-N 2 0 320.481 2.643 20 0 DFADRP C[C@@H](C[N@@H+](C)CC1CC[NH+](C[C@H](C)O)CC1)c1ccc(F)cc1 ZINC000275641547 426885590 /nfs/dbraw/zinc/88/55/90/426885590.db2.gz AOUAAPPYRFKXNU-HOTGVXAUSA-N 2 0 322.468 2.954 20 0 DFADRP C[C@H]([NH2+]C[C@@H]1CCC[C@H](O)C1)c1cccc(OCC[NH+](C)C)c1 ZINC000305157195 426890194 /nfs/dbraw/zinc/89/01/94/426890194.db2.gz QKEIUKJOZGWAOS-JZXOWHBKSA-N 2 0 320.477 2.829 20 0 DFADRP C[C@@H]([NH2+][C@H]1CC[C@H](CO)CC1)c1ccc(OCC[NH+](C)C)cc1 ZINC000247059528 426897648 /nfs/dbraw/zinc/89/76/48/426897648.db2.gz MMHPGVMYPWWOBN-JFIYKMOQSA-N 2 0 320.477 2.829 20 0 DFADRP CC[N@@H+]1CC[C@H]([NH+](C)CCC(=O)Nc2ccccc2C)[C@@H](C)C1 ZINC000247066110 426898268 /nfs/dbraw/zinc/89/82/68/426898268.db2.gz PNUUTWFEFICJLL-WMZOPIPTSA-N 2 0 317.477 2.986 20 0 DFADRP C[C@H](C(=O)Nc1ccccc1CC[NH+](C)C)[NH+]1CCCCCC1 ZINC000275693476 426899258 /nfs/dbraw/zinc/89/92/58/426899258.db2.gz WLZHAHZJFWXCEW-MRXNPFEDSA-N 2 0 317.477 2.994 20 0 DFADRP C[C@H]1C[C@@H]1c1ccc(C[NH2+]CC(C)(C)N2CC[NH+](C)CC2)o1 ZINC000314166732 426926037 /nfs/dbraw/zinc/92/60/37/426926037.db2.gz YTECGLBROIIXTG-HOCLYGCPSA-N 2 0 305.466 2.519 20 0 DFADRP CC[NH+]1CCN([C@@H]2CC[N@H+](C[C@H](C)c3ccccc3)C2)CC1 ZINC000247125058 426906994 /nfs/dbraw/zinc/90/69/94/426906994.db2.gz ODEPZAKIJKWOGH-PKOBYXMFSA-N 2 0 301.478 2.502 20 0 DFADRP CCOc1ccc([C@H](C)[NH2+]CCN2CC[N@H+](C)C(C)(C)C2)cc1 ZINC000282417676 426907283 /nfs/dbraw/zinc/90/72/83/426907283.db2.gz SKAYTHRUWYRZFJ-INIZCTEOSA-N 2 0 319.493 2.762 20 0 DFADRP Cc1ccc([C@H](CN[C@@H]2C[C@@H](C)[N@@H+](C)C[C@H]2C)[NH+](C)C)cc1 ZINC000247172398 426911743 /nfs/dbraw/zinc/91/17/43/426911743.db2.gz YRAGCCDGMCXHQU-RWQQGDIJSA-N 2 0 303.494 2.916 20 0 DFADRP COc1cccc([C@H](C)[NH2+]CCCN2CC[NH+](C(C)C)CC2)c1 ZINC000283146096 426963882 /nfs/dbraw/zinc/96/38/82/426963882.db2.gz CCGJTFQBJRIHGP-KRWDZBQOSA-N 2 0 319.493 2.762 20 0 DFADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]C[C@H](c1cccc(F)c1)N(C)C ZINC000248048318 426973891 /nfs/dbraw/zinc/97/38/91/426973891.db2.gz VVEHBQKUZZQMJP-KJWYOANISA-N 2 0 307.457 2.747 20 0 DFADRP C[C@@H]1C[C@@H](N[C@H](C[NH+]2CCCC2)c2ccccc2)CC[N@@H+]1C ZINC000248043564 426974830 /nfs/dbraw/zinc/97/48/30/426974830.db2.gz UIOLLRAPUQZPBS-NZSAHSFTSA-N 2 0 301.478 2.896 20 0 DFADRP C[C@@H]1C[N@H+](C)CC[C@H]1NC1CC[NH+](CCc2ccccc2)CC1 ZINC000323623276 426975449 /nfs/dbraw/zinc/97/54/49/426975449.db2.gz DCDZKBSMMSABNN-YLJYHZDGSA-N 2 0 315.505 2.623 20 0 DFADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+][C@H]1CCCN(c2ccccc2)C1 ZINC000248067426 426978033 /nfs/dbraw/zinc/97/80/33/426978033.db2.gz MHUUUZHWNJMCEP-VXIBKDFQSA-N 2 0 301.478 2.974 20 0 DFADRP C[C@H]([NH2+]C[C@H](O)CC(F)(F)F)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000189933743 426984130 /nfs/dbraw/zinc/98/41/30/426984130.db2.gz ASDGMXONYKJXRZ-OUCADQQQSA-N 2 0 308.388 2.542 20 0 DFADRP COc1ccc2c(c1)[C@@H]([NH2+]C[C@@H]1CCC[N@H+](C)C1)CCCO2 ZINC000248215792 426986094 /nfs/dbraw/zinc/98/60/94/426986094.db2.gz ZPRYVOGAAHCYRA-YOEHRIQHSA-N 2 0 304.434 2.840 20 0 DFADRP C[C@H](CN[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1)C[NH+](C)C ZINC000291804121 426993582 /nfs/dbraw/zinc/99/35/82/426993582.db2.gz XOJKIZCGURWZFA-AOIWGVFYSA-N 2 0 303.494 2.827 20 0 DFADRP C[C@H]([NH3+])CCC(=O)NCc1ccccc1C[N@@H+]1CCC[C@@H](C)C1 ZINC000248901813 427060589 /nfs/dbraw/zinc/06/05/89/427060589.db2.gz ZCWGWPKGSAKKQO-CVEARBPZSA-N 2 0 317.477 2.662 20 0 DFADRP Cc1nccn1CCCC[N@H+](CCO)Cc1ccc(C)cc1 ZINC000181971460 427001883 /nfs/dbraw/zinc/00/18/83/427001883.db2.gz VTBWOSDRKWOKHL-UHFFFAOYSA-N 2 0 301.434 2.775 20 0 DFADRP CC1(C)[C@H](O)C[C@@H]1[NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]12 ZINC000248455121 427004674 /nfs/dbraw/zinc/00/46/74/427004674.db2.gz HSHYUOHEACEXJJ-MTHXSQLBSA-N 2 0 314.473 2.646 20 0 DFADRP CC(C)N1CCC[C@@H]([NH2+][C@@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)C1=O ZINC000248537721 427009429 /nfs/dbraw/zinc/00/94/29/427009429.db2.gz ACDIKZFXLIELPR-XYJFISCASA-N 2 0 321.509 2.628 20 0 DFADRP CC(=O)Nc1ccc([C@H](C)[NH2+][C@@H]2C[C@H](C)N(C3CC3)C2)cc1 ZINC000182113697 427015971 /nfs/dbraw/zinc/01/59/71/427015971.db2.gz AMXUWVMKRCRMPH-GDZNZVCISA-N 2 0 301.434 2.921 20 0 DFADRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+]Cc1ccc([C@H]2C[C@@H]2C)o1 ZINC000248648533 427027858 /nfs/dbraw/zinc/02/78/58/427027858.db2.gz UTDMZBCDXWSUGC-UXLLHSPISA-N 2 0 305.466 2.519 20 0 DFADRP CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)[C@@]2(CC)CCC[NH2+]2)C1 ZINC000248755859 427039390 /nfs/dbraw/zinc/03/93/90/427039390.db2.gz VDCYCJBNDJONGZ-MAUKXSAKSA-N 2 0 309.498 2.535 20 0 DFADRP C[N@@H+]1CC[C@@]2(CCN(Cc3ccc(Br)cc3)C2)C1 ZINC000292048943 427068965 /nfs/dbraw/zinc/06/89/65/427068965.db2.gz BKRWSAXJJQUKDD-OAHLLOKOSA-N 2 0 309.251 2.977 20 0 DFADRP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@H]2CCC[C@@H]2CCCF)CC1 ZINC000337990086 427077724 /nfs/dbraw/zinc/07/77/24/427077724.db2.gz SLYSGEKNHITHIU-KURKYZTESA-N 2 0 313.505 2.768 20 0 DFADRP CC(C)[C@H](C[NH2+][C@@H]1CCC[C@@H]1CCCF)N1CC[NH+](C)CC1 ZINC000337999598 427085855 /nfs/dbraw/zinc/08/58/55/427085855.db2.gz WDDSWVLUZIOJQW-KURKYZTESA-N 2 0 313.505 2.766 20 0 DFADRP C[C@H](CCCC[NH3+])NC(=O)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000292097342 427088682 /nfs/dbraw/zinc/08/86/82/427088682.db2.gz OAMDRMBQHIFCAX-SJLPKXTDSA-N 2 0 317.477 2.532 20 0 DFADRP C[N@@H+]1CC[C@]2(CC[NH+](CCC(=O)Nc3ccc(Cl)cc3)C2)C1 ZINC000292108460 427091610 /nfs/dbraw/zinc/09/16/10/427091610.db2.gz ISXJJOBHMFYOQT-KRWDZBQOSA-N 2 0 321.852 2.696 20 0 DFADRP C[C@@H](C(=O)NCCC[NH+]1CCCCCC1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000338029765 427099761 /nfs/dbraw/zinc/09/97/61/427099761.db2.gz OYLFRQURXYACRH-BBWFWOEESA-N 2 0 309.498 2.630 20 0 DFADRP CC(C)[C@@H](C[NH2+][C@H]1CCc2c1cccc2F)N1CC[NH+](C)CC1 ZINC000268731142 427105923 /nfs/dbraw/zinc/10/59/23/427105923.db2.gz AIKVZLFCHOMCKO-RBUKOAKNSA-N 2 0 319.468 2.675 20 0 DFADRP Cc1ccccc1[C@@H]([NH3+])C(=O)NCCC[N@@H+](C)C1CCCCC1 ZINC000296191463 427107933 /nfs/dbraw/zinc/10/79/33/427107933.db2.gz YOLFNFXLQSALDD-GOSISDBHSA-N 2 0 317.477 2.766 20 0 DFADRP OC[C@@H]1CCC[N@@H+]1CCCC[NH2+][C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000249393480 427111228 /nfs/dbraw/zinc/11/12/28/427111228.db2.gz SFJMHRBHZYFHCR-KKUMJFAQSA-N 2 0 322.415 2.934 20 0 DFADRP OC[C@@H]1CCC[N@@H+]1CCCC[NH2+][C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000249393472 427113092 /nfs/dbraw/zinc/11/30/92/427113092.db2.gz SFJMHRBHZYFHCR-ILXRZTDVSA-N 2 0 322.415 2.934 20 0 DFADRP C[C@@H](C(=O)NCC(C)(C)[N@@H+]1CCC[C@@H](C)C1)[NH+]1[C@@H](C)CC[C@@H]1C ZINC000338048268 427113557 /nfs/dbraw/zinc/11/35/57/427113557.db2.gz ANRHQTBZQKXZOA-QZWWFDLISA-N 2 0 323.525 2.874 20 0 DFADRP Cc1ncsc1CN(C)C[C@@H]1CC[N@H+](CC2=CCCOC2)C1 ZINC000190458269 427115181 /nfs/dbraw/zinc/11/51/81/427115181.db2.gz WWBRBUGLTRRHBE-HNNXBMFYSA-N 2 0 321.490 2.552 20 0 DFADRP C[C@@H](C(=O)NCC(C)(C)[N@@H+]1CCC[C@@H](C)C1)[NH+]1[C@H](C)CC[C@H]1C ZINC000338048271 427115652 /nfs/dbraw/zinc/11/56/52/427115652.db2.gz ANRHQTBZQKXZOA-VQHPVUNQSA-N 2 0 323.525 2.874 20 0 DFADRP C[C@H](C(=O)NC[C@]1([NH+](C)C)CCC[C@@H](C)C1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000338053576 427118033 /nfs/dbraw/zinc/11/80/33/427118033.db2.gz VFLBQCXLZALHER-ILYVXUQDSA-N 2 0 323.525 2.874 20 0 DFADRP COc1ccc([C@@H](C[NH+](C)C)NCc2cn3ccccc3n2)cc1 ZINC000284022165 427118850 /nfs/dbraw/zinc/11/88/50/427118850.db2.gz NTCJOVVXLPGBGH-GOSISDBHSA-N 2 0 324.428 2.735 20 0 DFADRP CC[NH+](CC)[C@@H](CNC(=O)CC[C@@H]1CCC[NH2+]1)c1ccsc1 ZINC000292186218 427123353 /nfs/dbraw/zinc/12/33/53/427123353.db2.gz XDCITQQLLJWIDH-HOTGVXAUSA-N 2 0 323.506 2.779 20 0 DFADRP C[C@H](Cn1ccnc1)[NH2+][C@@H](C)c1ccc(OCC[NH+](C)C)cc1 ZINC000268815558 427124463 /nfs/dbraw/zinc/12/44/63/427124463.db2.gz MGVIKYQHIMUPBH-CVEARBPZSA-N 2 0 316.449 2.563 20 0 DFADRP C[C@@H](Cn1ccnc1)[NH2+][C@@H](C)c1ccc(OCC[NH+](C)C)cc1 ZINC000268815561 427125477 /nfs/dbraw/zinc/12/54/77/427125477.db2.gz MGVIKYQHIMUPBH-HOTGVXAUSA-N 2 0 316.449 2.563 20 0 DFADRP C[C@H]([NH2+]C[C@@H]1CCCCO1)c1ccc(OCC[NH+](C)C)cc1 ZINC000268809363 427126116 /nfs/dbraw/zinc/12/61/16/427126116.db2.gz NLOIJTUXTCILTE-YJBOKZPZSA-N 2 0 306.450 2.847 20 0 DFADRP Cc1ccc([C@@H](CNC(=O)c2ccc3c[nH+]cn3c2)[NH+](C)C)cc1 ZINC000284105339 427132831 /nfs/dbraw/zinc/13/28/31/427132831.db2.gz YJEWHGFPCUZUJZ-GOSISDBHSA-N 2 0 322.412 2.675 20 0 DFADRP C[N@@H+]1CC[C@]2(CC[NH+](C[C@@H](O)Cc3ccc4ccccc4c3)C2)C1 ZINC000292220676 427136595 /nfs/dbraw/zinc/13/65/95/427136595.db2.gz UWLVGXHKBJTFNP-SFTDATJTSA-N 2 0 324.468 2.771 20 0 DFADRP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)CCCc2cccc(F)c2)CC1 ZINC000182752694 427137446 /nfs/dbraw/zinc/13/74/46/427137446.db2.gz BHSSLJNLYZRYRX-MRXNPFEDSA-N 2 0 322.468 2.783 20 0 DFADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@](C)(Cc2ccccc2)[C@H](C)O)[C@H](C)C1 ZINC000249711712 427137708 /nfs/dbraw/zinc/13/77/08/427137708.db2.gz YORGDJFQHGSRJE-UMGGQSCQSA-N 2 0 318.505 2.936 20 0 DFADRP C[NH+](C)CCN(Cc1ccccc1)C(=O)c1ccc2c[nH+]cn2c1 ZINC000284116976 427137813 /nfs/dbraw/zinc/13/78/13/427137813.db2.gz ZDLKCLQPERWQFX-UHFFFAOYSA-N 2 0 322.412 2.538 20 0 DFADRP C[C@H](CNC(=O)c1ccc(C[NH+](C)C)cc1)[N@@H+]1CCC[C@H](C)C1 ZINC000249740775 427141688 /nfs/dbraw/zinc/14/16/88/427141688.db2.gz IUXNNIPJJBQFKH-JKSUJKDBSA-N 2 0 317.477 2.598 20 0 DFADRP C[C@@H]([NH2+][C@@H](C)CC[NH+](C)C)c1ccc(NC(=O)NC2CC2)cc1 ZINC000269012533 427145902 /nfs/dbraw/zinc/14/59/02/427145902.db2.gz NUPZSRDYVCZUDR-UONOGXRCSA-N 2 0 318.465 2.961 20 0 DFADRP C[N@H+](CCCn1ccnc1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000182816509 427150615 /nfs/dbraw/zinc/15/06/15/427150615.db2.gz WTLWWSOYLLGVHL-UHFFFAOYSA-N 2 0 322.453 2.605 20 0 DFADRP CC[N@H+](Cc1ccc(C(=O)N[C@H]2C[NH2+]CC[C@H]2C)cc1)C(C)C ZINC000249958824 427153241 /nfs/dbraw/zinc/15/32/41/427153241.db2.gz JMGJGUQYLCQUPW-QAPCUYQASA-N 2 0 317.477 2.645 20 0 DFADRP C[C@@H]1CN(Cc2ccccn2)CC[C@@H]1[NH2+]C[C@H]1CCC(C)(C)O1 ZINC000250118720 427155813 /nfs/dbraw/zinc/15/58/13/427155813.db2.gz UUXUMAJGDUOPGY-NXHRZFHOSA-N 2 0 317.477 2.839 20 0 DFADRP C[C@H](C[NH2+][C@@H]1c2cc(F)ccc2C[C@H]1C)CN1CC[NH+](C)CC1 ZINC000121098455 271018243 /nfs/dbraw/zinc/01/82/43/271018243.db2.gz DJGXKDSUNHBSDI-CLCXKQKWSA-N 2 0 319.468 2.532 20 0 DFADRP CCC[N@H+](CC)Cc1ccc(C(=O)N[C@H]2CCC[C@@H]2C[NH3+])cc1 ZINC000269296411 427163548 /nfs/dbraw/zinc/16/35/48/427163548.db2.gz WBVRIMHTEXSSFX-MSOLQXFVSA-N 2 0 317.477 2.776 20 0 DFADRP OCC[NH+]1CCC(C[NH2+][C@H]2CCCCc3ccccc32)CC1 ZINC000174849630 271138898 /nfs/dbraw/zinc/13/88/98/271138898.db2.gz UIAYCTIVWCLIKX-IBGZPJMESA-N 2 0 302.462 2.748 20 0 DFADRP [NH3+]C[C@@H]1CCCCN1C(=O)c1ccc(Nc2cc[nH+]cc2)cc1 ZINC000237852098 271253932 /nfs/dbraw/zinc/25/39/32/271253932.db2.gz UHVGVSMIWILYAT-KRWDZBQOSA-N 2 0 310.401 2.779 20 0 DFADRP CC[NH+](CC)[C@H](CNC(=O)[C@@H]1CCC[C@H]([NH3+])C1)c1ccccc1 ZINC000261640779 271268868 /nfs/dbraw/zinc/26/88/68/271268868.db2.gz DBQTYNSWFNEIHO-FGTMMUONSA-N 2 0 317.477 2.703 20 0 DFADRP CC[N@H+](Cc1ccc(C(=O)N2CCC[NH+](C)CC2)cc1)C(C)C ZINC000265348058 271281056 /nfs/dbraw/zinc/28/10/56/271281056.db2.gz VXZKPEIMJNMDRY-UHFFFAOYSA-N 2 0 317.477 2.695 20 0 DFADRP COCCOCC[NH2+]C1CCC([N@H+](C)Cc2ccccc2)CC1 ZINC000284281313 427171606 /nfs/dbraw/zinc/17/16/06/427171606.db2.gz XJWSDGLHAHHRHV-UHFFFAOYSA-N 2 0 320.477 2.682 20 0 DFADRP Cc1nc2ccccc2n1C[C@@H]1CCC[N@H+]1CCc1ccnn1C ZINC000284280617 427171892 /nfs/dbraw/zinc/17/18/92/427171892.db2.gz FJSOBPKBIRZZAX-KRWDZBQOSA-N 2 0 323.444 2.785 20 0 DFADRP CC(=O)Nc1ccc([C@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc1 ZINC000296404582 427172665 /nfs/dbraw/zinc/17/26/65/427172665.db2.gz KQWMUCANGFALRG-ZBHOBAHQSA-N 2 0 301.434 2.921 20 0 DFADRP CC(C)[C@@H](C[NH2+]C[C@H](C)CN1CC[NH+](C)CC1)c1ccccc1 ZINC000280797604 271326819 /nfs/dbraw/zinc/32/68/19/271326819.db2.gz GZYNDRHMKZFRJA-AZUAARDMSA-N 2 0 317.521 2.899 20 0 DFADRP CC(C)[C@H](C[NH2+]C[C@H](C)CN1CC[NH+](C)CC1)c1ccccc1 ZINC000280797606 271326963 /nfs/dbraw/zinc/32/69/63/271326963.db2.gz GZYNDRHMKZFRJA-ICSRJNTNSA-N 2 0 317.521 2.899 20 0 DFADRP CCCc1cc(N2CC[N@H+](CCO)[C@H](C)C2)c2ccccc2[nH+]1 ZINC000302409801 271363175 /nfs/dbraw/zinc/36/31/75/271363175.db2.gz LIKGNRPBHDSKTO-OAHLLOKOSA-N 2 0 313.445 2.690 20 0 DFADRP CCC[NH+](CCC)CCCC(=O)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000303313421 271364299 /nfs/dbraw/zinc/36/42/99/271364299.db2.gz PNTHVLJPSJPGHG-KRWDZBQOSA-N 2 0 309.498 2.585 20 0 DFADRP CC(C)(C)[C@H]1CCCC[C@@H]1[NH2+]Cc1nnc(C2CC[NH2+]CC2)[nH]1 ZINC000333622667 271381169 /nfs/dbraw/zinc/38/11/69/271381169.db2.gz UOGSKYCGIPMOLR-GJZGRUSLSA-N 2 0 319.497 2.966 20 0 DFADRP [NH3+][C@@H]1CCCO[C@H]1C1CCN(c2cc[nH+]c3ccccc32)CC1 ZINC000333712913 271387004 /nfs/dbraw/zinc/38/70/04/271387004.db2.gz SPFVVCUFTHMBIL-APWZRJJASA-N 2 0 311.429 2.958 20 0 DFADRP COc1cccc(C[NH2+]CCCC[NH+]2C[C@@H](C)C[C@H](C)C2)n1 ZINC000190773634 427177801 /nfs/dbraw/zinc/17/78/01/427177801.db2.gz GFUQVCFJWKRZQI-HOTGVXAUSA-N 2 0 305.466 2.938 20 0 DFADRP CC[NH+](CC)Cc1ccc(C(=O)N[C@H]2CCC[N@H+](C)[C@H]2C)cc1 ZINC000338183126 427178210 /nfs/dbraw/zinc/17/82/10/427178210.db2.gz ACSCFYJUQZPPCB-YJBOKZPZSA-N 2 0 317.477 2.741 20 0 DFADRP C[C@@H]1C[C@@H](CC[NH2+]Cc2nccn2C)C[N@@H+]1Cc1ccccc1 ZINC000338197603 427187259 /nfs/dbraw/zinc/18/72/59/427187259.db2.gz OZBMOKGGPAXBHO-SJLPKXTDSA-N 2 0 312.461 2.810 20 0 DFADRP CC[NH+]1CCN([C@H](C)C[NH2+][C@H]2CCc3c2c(F)ccc3F)CC1 ZINC000338199954 427189080 /nfs/dbraw/zinc/18/90/80/427189080.db2.gz PBWCWEBWJQONBI-DYVFJYSZSA-N 2 0 323.431 2.568 20 0 DFADRP COc1ccc([C@@H](C[NH+](C)C)NC2CC[NH+](C(C)C)CC2)cc1 ZINC000284366544 427189690 /nfs/dbraw/zinc/18/96/90/427189690.db2.gz NJNLTKXQSATOIF-LJQANCHMSA-N 2 0 319.493 2.760 20 0 DFADRP CC[NH+](CC)Cc1ccc(C(=O)N2C[C@H](C)[C@H]([NH+](C)C)C2)cc1 ZINC000338225093 427202338 /nfs/dbraw/zinc/20/23/38/427202338.db2.gz BDZCMDQVXGWFNJ-MAUKXSAKSA-N 2 0 317.477 2.551 20 0 DFADRP C[C@H](O)CC[NH2+][C@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000183142266 427210936 /nfs/dbraw/zinc/21/09/36/427210936.db2.gz SJVOZGCFDJLRJE-WNHJNPCNSA-N 2 0 302.462 2.648 20 0 DFADRP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@@H+]2C[C@@H]1CCCC(F)(F)C1 ZINC000338284019 427234690 /nfs/dbraw/zinc/23/46/90/427234690.db2.gz JBYROFVWVCECCE-KLHDSHLOSA-N 2 0 316.436 2.995 20 0 DFADRP COC(=O)c1ccccc1CC[N@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000285462367 427240907 /nfs/dbraw/zinc/24/09/07/427240907.db2.gz JWPSQBJVJUOKQX-SJPCQFCGSA-N 2 0 316.445 2.573 20 0 DFADRP Cc1sccc1C[NH2+]Cc1ccccc1C[N@@H+]1CC[C@@H](O)C1 ZINC000293215954 427249065 /nfs/dbraw/zinc/24/90/65/427249065.db2.gz JOWQKNZNYYFEGP-GOSISDBHSA-N 2 0 316.470 2.913 20 0 DFADRP CC[NH+](CC)CCOC1CC[NH+](CCSC(C)C)CC1 ZINC000338309398 427251941 /nfs/dbraw/zinc/25/19/41/427251941.db2.gz UTLVDLBAPULSBK-UHFFFAOYSA-N 2 0 302.528 2.951 20 0 DFADRP CC[NH+](CC)CC1CC[NH+](Cc2cn3ccccc3n2)CC1 ZINC000338405843 427308855 /nfs/dbraw/zinc/30/88/55/427308855.db2.gz NNAAEWWJJBCZEV-UHFFFAOYSA-N 2 0 300.450 2.888 20 0 DFADRP C[C@@H]1CCN(C[C@]2(C)CC[NH2+]C2)CC[N@@H+]1Cc1ccccc1 ZINC000261722170 427339339 /nfs/dbraw/zinc/33/93/39/427339339.db2.gz GBEPZGAFMYCOBV-IEBWSBKVSA-N 2 0 301.478 2.582 20 0 DFADRP CC[NH+](CC)Cc1ccccc1CNC(=O)CC[C@H]1CCC[NH2+]1 ZINC000261903831 427344744 /nfs/dbraw/zinc/34/47/44/427344744.db2.gz PFBCVNAJBBHMOX-GOSISDBHSA-N 2 0 317.477 2.677 20 0 DFADRP CN(Cc1ccnc(Br)c1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000293500040 427346720 /nfs/dbraw/zinc/34/67/20/427346720.db2.gz HGLCFWRTZVODLH-PBWFPOADSA-N 2 0 324.266 2.901 20 0 DFADRP CC[N@H+](Cc1ccc(C(=O)N[C@H]2CC[NH2+]C[C@@H]2C)cc1)C(C)C ZINC000262918389 427380040 /nfs/dbraw/zinc/38/00/40/427380040.db2.gz ZDPXCCJEOVJRGT-YJBOKZPZSA-N 2 0 317.477 2.645 20 0 DFADRP C[C@@H]1COCC[C@@H]1[NH2+]Cc1ccc(OCCC[NH+](C)C)cc1 ZINC000191750937 427419136 /nfs/dbraw/zinc/41/91/36/427419136.db2.gz PURPOGIAFWHNPS-QAPCUYQASA-N 2 0 306.450 2.532 20 0 DFADRP CC[C@H]([NH2+]C[C@H](C)CN1CC[NH+](C)CC1)c1cccc(C)c1 ZINC000286009620 427400995 /nfs/dbraw/zinc/40/09/95/427400995.db2.gz JCPDVBQMKOFLNY-HKUYNNGSSA-N 2 0 303.494 2.919 20 0 DFADRP CC(C)C[N@@H+]1Cc2cccc(NC(=O)/C=C/C[NH+](C)C)c2C1 ZINC000271118063 427406829 /nfs/dbraw/zinc/40/68/29/427406829.db2.gz CTSKLDFQYYDQJY-RMKNXTFCSA-N 2 0 301.434 2.715 20 0 DFADRP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C[C@@H](O)c2cccnc2)C1 ZINC000297500887 427408525 /nfs/dbraw/zinc/40/85/25/427408525.db2.gz NDBWKYFAWNKLRT-ZHALLVOQSA-N 2 0 317.477 2.701 20 0 DFADRP CCOC(=O)c1ccc(C[NH2+]CCCCC[NH+]2CCCC2)o1 ZINC000293720765 427414298 /nfs/dbraw/zinc/41/42/98/427414298.db2.gz TYFXGRLKIKBHIU-UHFFFAOYSA-N 2 0 308.422 2.812 20 0 DFADRP CC[NH+](CC)C[C@H](C)NC(=O)c1ccc(C[NH+]2CCCC2)cc1 ZINC000338536947 427365907 /nfs/dbraw/zinc/36/59/07/427365907.db2.gz NJWRYEMTQSLMLN-INIZCTEOSA-N 2 0 317.477 2.743 20 0 DFADRP COc1ccc([C@H](C)[C@H](C)[NH2+]C[C@H](C)C[NH+](C)C)cc1OC ZINC000293815212 427448459 /nfs/dbraw/zinc/44/84/59/427448459.db2.gz VTJQGOKTGYZFLS-ZNMIVQPWSA-N 2 0 308.466 2.983 20 0 DFADRP COc1ccc(C[C@H](C)[NH2+][C@H](C)CC[NH+](C)C)c(C)c1OC ZINC000286222703 427458643 /nfs/dbraw/zinc/45/86/43/427458643.db2.gz SLPMCTYNSQKPBK-KGLIPLIRSA-N 2 0 308.466 2.873 20 0 DFADRP CC[NH+]1CCC([NH2+]CCc2cccc(C(F)(F)F)n2)CC1 ZINC000293860721 427464927 /nfs/dbraw/zinc/46/49/27/427464927.db2.gz YYPMVWXELBEJEU-UHFFFAOYSA-N 2 0 301.356 2.717 20 0 DFADRP Cn1cncc1CC[NH+]1CCC(Oc2ccc(F)cc2F)CC1 ZINC000297877053 427474733 /nfs/dbraw/zinc/47/47/33/427474733.db2.gz QCPCVELQLNWMNU-UHFFFAOYSA-N 2 0 321.371 2.784 20 0 DFADRP C[C@@H]([NH3+])[C@H](C)C(=O)Nc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000192104590 427480799 /nfs/dbraw/zinc/48/07/99/427480799.db2.gz NNEYUAOJDJPIML-LSDHHAIUSA-N 2 0 303.450 2.984 20 0 DFADRP CC(C)C[NH+]1CCN([C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000271284196 427483740 /nfs/dbraw/zinc/48/37/40/427483740.db2.gz OOKCKZXCRWIULF-IBGZPJMESA-N 2 0 301.478 2.535 20 0 DFADRP CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)CC1(C[NH3+])CCCCC1 ZINC000184241187 427423789 /nfs/dbraw/zinc/42/37/89/427423789.db2.gz XYULZHGYFKRVBD-MRXNPFEDSA-N 2 0 309.498 2.619 20 0 DFADRP C[C@@H]1[C@@H]([NH2+]CCCC[NH+](C)C)CCCN1Cc1ccccc1 ZINC000293764644 427430407 /nfs/dbraw/zinc/43/04/07/427430407.db2.gz PEFGVLJNOXTKSK-MJGOQNOKSA-N 2 0 303.494 2.971 20 0 DFADRP C[C@H](CNC(=O)[C@H]1CCCC[C@@]1(C)[NH3+])[N@H+](C)Cc1ccccc1 ZINC000263185997 427432329 /nfs/dbraw/zinc/43/23/29/427432329.db2.gz HHHSNKFXVUFTEJ-SZVBFZGTSA-N 2 0 317.477 2.531 20 0 DFADRP CCN1CC[NH+](CCCC[NH2+]C(C2CCC2)C2CCC2)CC1 ZINC000338691289 427440225 /nfs/dbraw/zinc/44/02/25/427440225.db2.gz GGPIFESNXLETGB-UHFFFAOYSA-N 2 0 307.526 2.963 20 0 DFADRP Fc1cccnc1O[C@@H]1CCCN(CCC[NH+]2CCCCC2)C1 ZINC000278909714 427495771 /nfs/dbraw/zinc/49/57/71/427495771.db2.gz SRRCJJIWGZKDSF-MRXNPFEDSA-N 2 0 321.440 2.940 20 0 DFADRP O[C@H](CC[NH2+]C1CCN(c2cc[nH+]cc2)CC1)c1ccccc1 ZINC000298006787 427501827 /nfs/dbraw/zinc/50/18/27/427501827.db2.gz BRAORUAKMBWEIO-LJQANCHMSA-N 2 0 311.429 2.764 20 0 DFADRP CC(C)(C[NH2+]C1CCN(c2cc[nH+]cc2)CC1)C[NH+]1CCCC1 ZINC000298020406 427503501 /nfs/dbraw/zinc/50/35/01/427503501.db2.gz DPSZVLKZPWKQCW-UHFFFAOYSA-N 3 0 316.493 2.762 20 0 DFADRP C[C@H](O)C[NH2+][C@@H]1CCCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000278930756 427504035 /nfs/dbraw/zinc/50/40/35/427504035.db2.gz LERCVDCGDRRSTO-GDAAHCPNSA-N 2 0 302.462 2.648 20 0 DFADRP CC(C)[NH+](CC(=O)NC[C@H](c1ccccc1)[NH+](C)C)C(C)C ZINC000184617577 427506180 /nfs/dbraw/zinc/50/61/80/427506180.db2.gz LWTOCHSBMZTDDZ-QGZVFWFLSA-N 2 0 305.466 2.524 20 0 DFADRP CCC[N@H+](C)C[C@@H]1CCN(CCC(=O)c2ccc(OC)cc2)C1 ZINC000286376280 427508437 /nfs/dbraw/zinc/50/84/37/427508437.db2.gz KEIUBZFMHGGDNP-INIZCTEOSA-N 2 0 318.461 2.932 20 0 DFADRP CCO[C@@H](CC[NH+](C)C)C[NH2+]C/C=C/c1ccc(F)c(F)c1 ZINC000286382963 427511017 /nfs/dbraw/zinc/51/10/17/427511017.db2.gz GRZSPRNTBLLTHF-NFAHFFEMSA-N 2 0 312.404 2.924 20 0 DFADRP CC[NH+](CC)Cc1ccc(C(=O)N2C[C@@H](C)[N@@H+](C)[C@@H](C)C2)cc1 ZINC000294064179 427537311 /nfs/dbraw/zinc/53/73/11/427537311.db2.gz VFMPCCOUCDXJSM-IYBDPMFKSA-N 2 0 317.477 2.693 20 0 DFADRP c1ccc(C[N@@H+]2CC[C@@H](N3CC[C@H]([NH+]4CCCCC4)C3)C2)cc1 ZINC000271437394 427537742 /nfs/dbraw/zinc/53/77/42/427537742.db2.gz RCASYOLNUQGKCW-UXHICEINSA-N 2 0 313.489 2.821 20 0 DFADRP COc1cccc([C@H](C)[NH2+]C2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)c1 ZINC000271449324 427542043 /nfs/dbraw/zinc/54/20/43/427542043.db2.gz DHXCRMUHDCUYBE-GDIGMMSISA-N 2 0 318.461 2.724 20 0 DFADRP C[N@@H+]1CCC[C@@H]1CC[NH+]1CCC[C@H]1Cn1cnc2ccccc21 ZINC000271458282 427546689 /nfs/dbraw/zinc/54/66/89/427546689.db2.gz YIWRVEGEHRQQGK-SJORKVTESA-N 2 0 312.461 2.985 20 0 DFADRP CC[NH+](CC)Cc1ccc(C(=O)NC[C@H]2CC[N@H+](CC)C2)cc1 ZINC000263710597 427547678 /nfs/dbraw/zinc/54/76/78/427547678.db2.gz QMYSBMVWBVILNZ-QGZVFWFLSA-N 2 0 317.477 2.600 20 0 DFADRP c1cc(N2CCC([NH2+][C@@H]3[C@@H]4CCO[C@H]4C34CCC4)CC2)cc[nH+]1 ZINC000294307426 427618324 /nfs/dbraw/zinc/61/83/24/427618324.db2.gz VOLLDYQHJOBLIW-RCCFBDPRSA-N 2 0 313.445 2.598 20 0 DFADRP COCc1ccc(CN2CC[C@H](C[N@H+](C)CC3CC3)C2)cc1 ZINC000339009586 427621124 /nfs/dbraw/zinc/62/11/24/427621124.db2.gz LXKQVYVRMQMUCX-LJQANCHMSA-N 2 0 302.462 2.997 20 0 DFADRP CCN1CCN(C(=O)[C@@H](C)[NH2+][C@@H](C)c2cccc(Cl)c2)CC1 ZINC000192540793 427559171 /nfs/dbraw/zinc/55/91/71/427559171.db2.gz SPOMKJHXXYHQOI-UONOGXRCSA-N 2 0 323.868 2.543 20 0 DFADRP Cc1n[nH]cc1C[NH2+][C@H](C)c1cccc(OCC[NH+](C)C)c1 ZINC000271506555 427563793 /nfs/dbraw/zinc/56/37/93/427563793.db2.gz NZKMYTUJPRULDL-CYBMUJFWSA-N 2 0 302.422 2.509 20 0 DFADRP C[C@H](O)CCC[NH2+][C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000279152015 427575791 /nfs/dbraw/zinc/57/57/91/427575791.db2.gz SUDBMAKMYOLBOF-GDAAHCPNSA-N 2 0 302.462 2.648 20 0 DFADRP C/C(=C\c1ccccc1)C[NH2+][C@H](C)CCN1CC[NH+](C)CC1 ZINC000192710608 427591070 /nfs/dbraw/zinc/59/10/70/427591070.db2.gz WBTXIEVJNDHWSZ-WBWKYDSYSA-N 2 0 301.478 2.706 20 0 DFADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]CCCN1CCc2ccccc21 ZINC000192702890 427593776 /nfs/dbraw/zinc/59/37/76/427593776.db2.gz IAHFVHYKLRCQLC-NUJGCVRESA-N 2 0 301.478 2.758 20 0 DFADRP CC[C@@H](C(=O)NC1CC[NH+]([C@@H](C)c2ccccc2)CC1)[NH+](C)C ZINC000338966055 427594278 /nfs/dbraw/zinc/59/42/78/427594278.db2.gz KXNNSFYPALSPFW-YJBOKZPZSA-N 2 0 317.477 2.668 20 0 DFADRP C[C@@H]1C[C@@H]([NH2+]CC2=CC[NH+](C)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000271912236 427595585 /nfs/dbraw/zinc/59/55/85/427595585.db2.gz YCAGWXHXFWYDGJ-XLIONFOSSA-N 3 0 313.489 2.891 20 0 DFADRP CC[NH+]1CCC(N[C@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C)CC1 ZINC000287393854 427599391 /nfs/dbraw/zinc/59/93/91/427599391.db2.gz QIVKEDSLQSFNET-APWZRJJASA-N 2 0 301.478 2.723 20 0 DFADRP C[C@H](c1cccnc1)[NH+]1CCC(C[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000263913554 427607115 /nfs/dbraw/zinc/60/71/15/427607115.db2.gz NMMKCLCTTASKLD-BRWVUGGUSA-N 2 0 317.477 2.964 20 0 DFADRP C[C@H](CCn1cccn1)[NH2+]C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000192923621 427636509 /nfs/dbraw/zinc/63/65/09/427636509.db2.gz DIBPOLFZFMLWJU-IEBWSBKVSA-N 2 0 312.461 2.773 20 0 DFADRP [NH3+]CC1(CC(=O)N2CCC(C[NH+]3CCCC3)CC2)CCCCC1 ZINC000185351078 427640715 /nfs/dbraw/zinc/64/07/15/427640715.db2.gz MTULMAFAPHHCNG-UHFFFAOYSA-N 2 0 321.509 2.620 20 0 DFADRP Cc1nn(C)c2sc([C@@H](C)[NH2+]CC3=CC[N@H+](C)CC3)cc12 ZINC000287610420 427652881 /nfs/dbraw/zinc/65/28/81/427652881.db2.gz JDMNIQBJUPBEHS-GFCCVEGCSA-N 2 0 304.463 2.856 20 0 DFADRP C[C@H]([NH2+]Cc1nnc(C2CC[NH2+]CC2)[nH]1)[C@H]1CCCC[C@H]1C ZINC000333576714 427653178 /nfs/dbraw/zinc/65/31/78/427653178.db2.gz NFIHSRMNLPDRNZ-IPYPFGDCSA-N 2 0 305.470 2.576 20 0 DFADRP CC(C)[C@H]1CCC[C@H]([NH2+]Cc2nnc(C3CC[NH2+]CC3)[nH]2)C1 ZINC000333608759 427658532 /nfs/dbraw/zinc/65/85/32/427658532.db2.gz RQKDFARGWDQMAQ-GJZGRUSLSA-N 2 0 305.470 2.576 20 0 DFADRP COc1ccccc1OC[C@@H](C)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000193059273 427658895 /nfs/dbraw/zinc/65/88/95/427658895.db2.gz VAVKXNKCBFTWOW-XYTVBORESA-N 2 0 318.461 2.925 20 0 DFADRP Cc1ccccc1C[C@@H]([NH2+]C[C@H](O)C[NH+]1CCCCC1)C1CC1 ZINC000342687609 272041817 /nfs/dbraw/zinc/04/18/17/272041817.db2.gz RTXHPOBPCYSTDN-VQTJNVASSA-N 2 0 316.489 2.753 20 0 DFADRP C[C@H]1CC(C)(C)C[C@H]1[NH2+]Cc1cccnc1N1CC[NH+](C)CC1 ZINC000193127178 427668909 /nfs/dbraw/zinc/66/89/09/427668909.db2.gz PWHHXEMAEZAFHZ-DOTOQJQBSA-N 2 0 316.493 2.748 20 0 DFADRP CC(C)[C@H](C(=O)N1C[C@@H]([NH+]2CCCC2)C[C@@H]1C)[NH+]1CCCCC1 ZINC000342749300 272050025 /nfs/dbraw/zinc/05/00/25/272050025.db2.gz YSGWLNHASVJWIP-OKZBNKHCSA-N 2 0 321.509 2.582 20 0 DFADRP CC[N@@H+]1CC[C@H](N(C)Cc2cn3cc(C)ccc3n2)C[C@H]1C ZINC000342787343 272053610 /nfs/dbraw/zinc/05/36/10/272053610.db2.gz IXTCQRXFZOWYPV-WBVHZDCISA-N 2 0 300.450 2.947 20 0 DFADRP CC[N@@H+]1CC[C@H](N(C)Cc2cn3cc(C)ccc3n2)C[C@@H]1C ZINC000342787332 272053923 /nfs/dbraw/zinc/05/39/23/272053923.db2.gz IXTCQRXFZOWYPV-RDJZCZTQSA-N 2 0 300.450 2.947 20 0 DFADRP C[NH+](C)CCN1CCC([NH2+][C@H]2CCc3ccc(Cl)cc32)CC1 ZINC000343091649 272084485 /nfs/dbraw/zinc/08/44/85/272084485.db2.gz HFDMPGRIVCJMSP-SFHVURJKSA-N 2 0 321.896 2.943 20 0 DFADRP C[NH+](C)CCN1CCC([NH2+][C@@H]2CCc3ccc(Cl)cc32)CC1 ZINC000343091648 272084801 /nfs/dbraw/zinc/08/48/01/272084801.db2.gz HFDMPGRIVCJMSP-GOSISDBHSA-N 2 0 321.896 2.943 20 0 DFADRP C[NH+](C)C1CCN(CC[NH2+][C@@H]2CCc3ccc(Cl)cc32)CC1 ZINC000343093429 272084910 /nfs/dbraw/zinc/08/49/10/272084910.db2.gz AKFJYRDOPKNLCH-GOSISDBHSA-N 2 0 321.896 2.943 20 0 DFADRP CO[C@@H]1C[C@@H](CN(C)c2cc(C)[nH+]c3ccc(F)cc32)[N@H+](C)C1 ZINC000343300288 272115412 /nfs/dbraw/zinc/11/54/12/272115412.db2.gz DXFFVQHLQIFZQA-LSDHHAIUSA-N 2 0 317.408 2.838 20 0 DFADRP Cc1ccsc1C[NH2+]C[C@H]1CCCN(C)[C@@H]1c1ccnn1C ZINC000343456160 272151869 /nfs/dbraw/zinc/15/18/69/272151869.db2.gz RZZCEVNTEABQPF-PBHICJAKSA-N 2 0 318.490 2.963 20 0 DFADRP Cc1cccnc1[C@@H]1CCC[C@@H]([NH2+]CCOCC[NH+](C)C)C1 ZINC000343463463 272152902 /nfs/dbraw/zinc/15/29/02/272152902.db2.gz ZGOZGERAGVJQMR-IAGOWNOFSA-N 2 0 305.466 2.584 20 0 DFADRP CC[NH+](CC)CC1CC[NH+](CC(=O)NCCC(C)(C)C)CC1 ZINC000343558960 272170250 /nfs/dbraw/zinc/17/02/50/272170250.db2.gz UIFQVAGSCHIMLF-UHFFFAOYSA-N 2 0 311.514 2.593 20 0 DFADRP CCC[C@H](C)NC(=O)[C@@H](C)[NH+]1CCC(C[NH+](CC)CC)CC1 ZINC000343573123 272173175 /nfs/dbraw/zinc/17/31/75/272173175.db2.gz AWEGAPGNLPKTPP-JKSUJKDBSA-N 2 0 311.514 2.734 20 0 DFADRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H]2C[C@@H](C)O[C@@H](C)C2)[C@H](C)C1 ZINC000339097659 427675668 /nfs/dbraw/zinc/67/56/68/427675668.db2.gz ZRIXDDYWZLHRQG-SFFUCWETSA-N 2 0 312.498 2.669 20 0 DFADRP CCC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC000343655859 272194444 /nfs/dbraw/zinc/19/44/44/272194444.db2.gz IPJVUJOWBZQYCJ-SJLPKXTDSA-N 2 0 321.509 2.632 20 0 DFADRP C[NH+](C)CCOc1cnccc1C[NH2+][C@@H]1CCC[C@@H]2C[C@@]21C ZINC000343985927 272247087 /nfs/dbraw/zinc/24/70/87/272247087.db2.gz MXCBZIOLQPRONO-NXHRZFHOSA-N 2 0 303.450 2.690 20 0 DFADRP CN(CCC[N@H+](C)C[C@H]1CCc2ccccc2C1)CC[NH+](C)C ZINC000344024354 272250395 /nfs/dbraw/zinc/25/03/95/272250395.db2.gz HZYAYNBBUBFDNR-SFHVURJKSA-N 2 0 317.521 2.607 20 0 DFADRP CO[C@@H]1[C@H](C)[C@@H]([NH2+]CCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)C12CCC2 ZINC000344045745 272252112 /nfs/dbraw/zinc/25/21/12/272252112.db2.gz GSDDCPCHXPZHCS-CWQOZTLDSA-N 2 0 324.509 2.669 20 0 DFADRP COC(=O)Nc1cccc(CNC2CC[NH+](C(C)C)CC2)c1 ZINC000287741952 427681301 /nfs/dbraw/zinc/68/13/01/427681301.db2.gz YVIMTYXYWIKYGV-UHFFFAOYSA-N 2 0 305.422 2.827 20 0 DFADRP C[NH+]1CCC(O)(C[NH2+][C@@H](CC2CCC2)c2ccccc2)CC1 ZINC000344094771 272261505 /nfs/dbraw/zinc/26/15/05/272261505.db2.gz GNUMVXFAKJKBKC-SFHVURJKSA-N 2 0 302.462 2.964 20 0 DFADRP CCc1cnc(C[NH2+]CCCC[NH+]2C[C@@H](C)O[C@H](C)C2)s1 ZINC000344109743 272264980 /nfs/dbraw/zinc/26/49/80/272264980.db2.gz ITYFTWZLTNSEFY-ZIAGYGMSSA-N 2 0 311.495 2.685 20 0 DFADRP COC(C)(C)C[C@H](C)[NH2+]Cc1cn(-c2cc[nH+]cc2)nc1C ZINC000344204477 272286903 /nfs/dbraw/zinc/28/69/03/272286903.db2.gz CRBDOGIWDGOHEB-ZDUSSCGKSA-N 2 0 302.422 2.869 20 0 DFADRP CC(C)(C)OC(=O)CC[NH2+]Cc1cc(-n2ccnc2)cs1 ZINC000344206115 272287636 /nfs/dbraw/zinc/28/76/36/272287636.db2.gz DYEWMMLKRDJPEN-UHFFFAOYSA-N 2 0 307.419 2.755 20 0 DFADRP CC[N@H+](Cc1ccc(C(=O)N2CC[C@@H]([C@@H](C)[NH3+])C2)cc1)C(C)C ZINC000272241671 427682732 /nfs/dbraw/zinc/68/27/32/427682732.db2.gz KXTLPWYRGYQYPW-CRAIPNDOSA-N 2 0 317.477 2.726 20 0 DFADRP C[C@@H]([NH3+])CCC(=O)N(C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000193313846 427684319 /nfs/dbraw/zinc/68/43/19/427684319.db2.gz DEHNEPPIGZXATQ-JFIYKMOQSA-N 2 0 317.477 2.625 20 0 DFADRP CC(C)[C@@H](CNC(=O)C[N@H+]1[C@H](C)CC[C@@H]1C)[NH+]1CCC(C)CC1 ZINC000344568248 272339585 /nfs/dbraw/zinc/33/95/85/272339585.db2.gz DMQFFFOBHZJCET-FGTMMUONSA-N 2 0 323.525 2.732 20 0 DFADRP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NCCCC[N@@H+]1CCCC[C@H]1C ZINC000344614942 272348519 /nfs/dbraw/zinc/34/85/19/272348519.db2.gz LOOIRFAIZXNMNW-BRWVUGGUSA-N 2 0 309.498 2.630 20 0 DFADRP CC(C)[NH+]1CCC(O)(C[NH2+][C@@H](C)CCc2ccccc2F)CC1 ZINC000344725766 272362512 /nfs/dbraw/zinc/36/25/12/272362512.db2.gz BHJMBMYOJONKGP-INIZCTEOSA-N 2 0 322.468 2.972 20 0 DFADRP CC[N@@H+]1C[C@H](C)[C@H](N[C@@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC000344832623 272375288 /nfs/dbraw/zinc/37/52/88/272375288.db2.gz PBULRGKNMKFJFO-RAUXBKROSA-N 2 0 315.505 2.969 20 0 DFADRP C[C@H]([NH2+][C@@H]1C[C@H](C)N(C2CC2)C1)c1cccc(-n2ccnn2)c1 ZINC000287781760 427691768 /nfs/dbraw/zinc/69/17/68/427691768.db2.gz SDXVXBKQAZPTEI-OFQRWUPVSA-N 2 0 311.433 2.543 20 0 DFADRP COc1cc([C@@H](C)[NH2+]CCCCn2ccnc2C)c(F)cn1 ZINC000287799016 427693278 /nfs/dbraw/zinc/69/32/78/427693278.db2.gz TZWBHKRCBZFOBG-GFCCVEGCSA-N 2 0 306.385 2.865 20 0 DFADRP COCC[N@H+](C)CCC[NH2+][C@H](C)c1cc2c(C)nn(C)c2s1 ZINC000287864801 427704964 /nfs/dbraw/zinc/70/49/64/427704964.db2.gz XQEUJNQDBXEKIW-CYBMUJFWSA-N 2 0 324.494 2.562 20 0 DFADRP C[C@@H](NC(=O)C[NH+]1CCC(CC[NH+](C)C)CC1)c1ccccc1 ZINC000298833424 427715603 /nfs/dbraw/zinc/71/56/03/427715603.db2.gz AACHAOYLPCPXQF-MRXNPFEDSA-N 2 0 317.477 2.528 20 0 DFADRP C[N@@H+]1CCC[C@H]1CC[NH+](CCO)[C@H]1CCCc2ccccc21 ZINC000336858179 427763111 /nfs/dbraw/zinc/76/31/11/427763111.db2.gz XLQRXABGSQMXMT-HKUYNNGSSA-N 2 0 302.462 2.843 20 0 DFADRP CC(C)[C@@H](C[NH2+]Cc1ccc(C2CC2)cc1)N1CC[NH+](C)CC1 ZINC000336867813 427766898 /nfs/dbraw/zinc/76/68/98/427766898.db2.gz OZFYCLUZEXPJSU-HXUWFJFHSA-N 2 0 315.505 2.926 20 0 DFADRP CC1=C[C@H](C)C[C@H](C[NH2+]C[C@@H](C(C)C)N2CC[NH+](C)CC2)C1 ZINC000336865927 427767167 /nfs/dbraw/zinc/76/71/67/427767167.db2.gz UXLMOJOKIBYECS-WDSOQIARSA-N 2 0 307.526 2.840 20 0 DFADRP CC(C)CCC[N@H+](Cc1nccn1C)[C@@H]1CC12CC[NH2+]CC2 ZINC000339411249 427770442 /nfs/dbraw/zinc/77/04/42/427770442.db2.gz XDEPVGQLOYSSCC-MRXNPFEDSA-N 2 0 304.482 2.800 20 0 DFADRP CCCCN(CCCC)C(=O)CN1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000339433311 427773601 /nfs/dbraw/zinc/77/36/01/427773601.db2.gz OJBWXQYTATYAOV-IBGZPJMESA-N 2 0 323.525 2.833 20 0 DFADRP CCN(C(=O)CN1CC[C@@]2(C1)CCC[N@H+](C)C2)C1CCCCC1 ZINC000339433417 427774201 /nfs/dbraw/zinc/77/42/01/427774201.db2.gz KVNVJCRJEVGHES-IBGZPJMESA-N 2 0 321.509 2.585 20 0 DFADRP FC(F)(F)c1cc(C[NH2+]CCCCC[NH+]2CCCC2)[nH]n1 ZINC000339509563 427785825 /nfs/dbraw/zinc/78/58/25/427785825.db2.gz YMEIRIDPDVJSNE-UHFFFAOYSA-N 2 0 304.360 2.784 20 0 DFADRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+]Cc1ccc2ccccc2c1 ZINC000185882165 427724182 /nfs/dbraw/zinc/72/41/82/427724182.db2.gz XFSDZMRGIGFYTN-QGZVFWFLSA-N 2 0 311.473 2.955 20 0 DFADRP C1CC2(C1)[C@H]([NH2+]C1CC[NH+](C3CCCC3)CC1)[C@H]1CCO[C@H]12 ZINC000194069106 427728691 /nfs/dbraw/zinc/72/86/91/427728691.db2.gz YULCEVCKMLNRJC-KZNAEPCWSA-N 2 0 304.478 2.941 20 0 DFADRP C[C@@H]1C[NH+](CCC2CC[NH+](C[C@@H]3CCC=CO3)CC2)C[C@@H](C)O1 ZINC000194048751 427729280 /nfs/dbraw/zinc/72/92/80/427729280.db2.gz FJWMAJDVWRUWCU-LMMKCTJWSA-N 2 0 322.493 2.890 20 0 DFADRP C([C@H]1CCCO1)[N@@H+]1CCC[C@@]2(CCC[NH+](C[C@@H]3CCCO3)C2)C1 ZINC000339204737 427729559 /nfs/dbraw/zinc/72/95/59/427729559.db2.gz VNYMWHCPWDJUIJ-CEXWTWQISA-N 2 0 322.493 2.522 20 0 DFADRP CC[C@@H]1CN(c2cc(C)[nH+]c3ccccc32)CC[N@@H+]1C[C@H](C)O ZINC000301410682 427794748 /nfs/dbraw/zinc/79/47/48/427794748.db2.gz OWALKQRGVKQDLB-JKSUJKDBSA-N 2 0 313.445 2.825 20 0 DFADRP CC[C@H](C(=O)NCCC[NH+]1C[C@@H](C)C[C@H](C)C1)[NH+](CC)CC ZINC000345783147 272540765 /nfs/dbraw/zinc/54/07/65/272540765.db2.gz JPGYRZOYSCAWLH-YESZJQIVSA-N 2 0 311.514 2.591 20 0 DFADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)CC1CC(C)(C)C1 ZINC000339656032 427807953 /nfs/dbraw/zinc/80/79/53/427807953.db2.gz ZWBTWNOPLHNXNE-QGZVFWFLSA-N 2 0 323.525 2.687 20 0 DFADRP Cc1cccc2c(N3CCC([N@H+](C)CCCO)CC3)cc[nH+]c12 ZINC000301641928 427812050 /nfs/dbraw/zinc/81/20/50/427812050.db2.gz BPRHNLGAMMBHCT-UHFFFAOYSA-N 2 0 313.445 2.826 20 0 DFADRP CC[C@H](C(=O)NC[C@@H](C)[N@H+](C)Cc1ccccc1)[NH+](CC)CC ZINC000346101059 272571877 /nfs/dbraw/zinc/57/18/77/272571877.db2.gz SIKIWVQSWFJHGM-SJLPKXTDSA-N 2 0 319.493 2.744 20 0 DFADRP C[C@H]1CCCC[N@@H+]1CCCNc1cc(NCC2CC2)ncn1 ZINC000301842393 427829008 /nfs/dbraw/zinc/82/90/08/427829008.db2.gz ZVPKXEVUTHUSMZ-AWEZNQCLSA-N 2 0 303.454 2.975 20 0 DFADRP C[C@H](C(=O)N1[C@@H](C)CCC[C@@H]1C)N(C)CCC[NH+]1CCCC1 ZINC000337279872 427830416 /nfs/dbraw/zinc/83/04/16/427830416.db2.gz UTHKLBAMEKAJBO-YESZJQIVSA-N 2 0 309.498 2.582 20 0 DFADRP CC[NH+](CC)CCOCC[NH2+][C@H](C)c1ccc2c(c1)COC2 ZINC000349661951 427837860 /nfs/dbraw/zinc/83/78/60/427837860.db2.gz HHEZSBBYGNPFJI-OAHLLOKOSA-N 2 0 306.450 2.726 20 0 DFADRP COC1CC([NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC000349714935 427848892 /nfs/dbraw/zinc/84/88/92/427848892.db2.gz CEMRYQAETAUMDG-PNIOZXJOSA-N 2 0 300.446 2.949 20 0 DFADRP CC[NH+](CC)CCOCC[NH2+][C@@H](C)c1nc2ccccc2n1C ZINC000349722750 427849481 /nfs/dbraw/zinc/84/94/81/427849481.db2.gz PIECNQYUMRRBMG-HNNXBMFYSA-N 2 0 318.465 2.582 20 0 DFADRP COCCN1CCC[C@@H]1C[NH2+][C@H]1CCC[C@H](c2cccnc2)C1 ZINC000337343053 427854839 /nfs/dbraw/zinc/85/48/39/427854839.db2.gz RXVPYKZXWNLHKN-YTQUADARSA-N 2 0 317.477 2.808 20 0 DFADRP CC(C)C[C@H](CNC(=O)[C@@H](C)[N@H+](C)Cc1ccccc1)[NH+](C)C ZINC000345680154 427856234 /nfs/dbraw/zinc/85/62/34/427856234.db2.gz XYTZPUJJNPSQSG-SJLPKXTDSA-N 2 0 319.493 2.599 20 0 DFADRP C[C@@H]1C[C@H](C)C[N@@H+](CCC[NH2+][C@@H]2[C@H]3CCO[C@@H]3C23CCC3)C1 ZINC000340517977 427872441 /nfs/dbraw/zinc/87/24/41/427872441.db2.gz OZWVFRDXBJXSTR-ILOCAZANSA-N 2 0 306.494 2.902 20 0 DFADRP C[C@@H]([NH2+]Cc1ccc(OCC[NH+](C)C)cc1)[C@H]1CCCOC1 ZINC000355747840 427872804 /nfs/dbraw/zinc/87/28/04/427872804.db2.gz WVNFYOACAVLGAX-WBVHZDCISA-N 2 0 306.450 2.532 20 0 DFADRP C[C@H]([NH2+]CCN1CC[NH+](Cc2ccccc2)CC1)C1(C)CC1 ZINC000359522503 427888297 /nfs/dbraw/zinc/88/82/97/427888297.db2.gz FPOSNZWAKHWNMW-KRWDZBQOSA-N 2 0 301.478 2.582 20 0 DFADRP CC[NH+](CC)CCCC1CCN(C(=O)C[NH+](CC)CC)CC1 ZINC000337415544 427894792 /nfs/dbraw/zinc/89/47/92/427894792.db2.gz REAYIINWCDRTDO-UHFFFAOYSA-N 2 0 311.514 2.689 20 0 DFADRP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]C[C@H](c1ccccc1Cl)N(C)C ZINC000359551202 427905197 /nfs/dbraw/zinc/90/51/97/427905197.db2.gz JRDUARLANNMISX-KBRIMQKVSA-N 2 0 309.885 2.873 20 0 DFADRP Cc1cc([C@@H](C)[NH2+][C@H](CC(C)C)C(=O)NCC[NH+](C)C)oc1C ZINC000337463555 427917499 /nfs/dbraw/zinc/91/74/99/427917499.db2.gz LBOQPZDGKXIUJE-GDBMZVCRSA-N 2 0 323.481 2.640 20 0 DFADRP Cc1ccc([C@H](O)C[N@@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)cc1 ZINC000304291398 427926847 /nfs/dbraw/zinc/92/68/47/427926847.db2.gz CNIDQMZZDSDPIK-PKOBYXMFSA-N 2 0 302.462 2.836 20 0 DFADRP CC[NH+](CC)CCN(Cc1ccccc1)C[C@@H]1CCC[NH2+]C1 ZINC000346819087 272689417 /nfs/dbraw/zinc/68/94/17/272689417.db2.gz DSHXBNBRSWQZFS-LJQANCHMSA-N 2 0 303.494 2.830 20 0 DFADRP COC1CCN(C2(C[NH2+][C@@H](C)[C@@]3(C)CCCO3)CCCC2)CC1 ZINC000340231683 427960037 /nfs/dbraw/zinc/96/00/37/427960037.db2.gz VBXPYDUZUVRZSV-FUHWJXTLSA-N 2 0 324.509 2.957 20 0 DFADRP CN(C)C(=O)CCN1CCC([NH2+][C@@H]2CCCC23CCCC3)CC1 ZINC000340235036 427960198 /nfs/dbraw/zinc/96/01/98/427960198.db2.gz GXBSSUIDAAGKIF-QGZVFWFLSA-N 2 0 321.509 2.632 20 0 DFADRP COC1CCN(C2(C[NH2+][C@@H](C)[C@]3(C)CCCO3)CCCC2)CC1 ZINC000340231685 427960656 /nfs/dbraw/zinc/96/06/56/427960656.db2.gz VBXPYDUZUVRZSV-WMZOPIPTSA-N 2 0 324.509 2.957 20 0 DFADRP CCC[NH+](CCC)CCCNC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC000345950558 427961895 /nfs/dbraw/zinc/96/18/95/427961895.db2.gz KGNLOWFFMKXPNZ-KRWDZBQOSA-N 2 0 311.514 2.879 20 0 DFADRP CC1(C)OCC[C@H]1[NH2+]CC1(N2CCSCC2)CCCCC1 ZINC000340234214 427961965 /nfs/dbraw/zinc/96/19/65/427961965.db2.gz BGYJTACWOLCRCN-OAHLLOKOSA-N 2 0 312.523 2.895 20 0 DFADRP CCC[C@H](C)CC(=O)N(CC[NH+](C)C)C[C@@H]1CCC[N@@H+]1CC ZINC000337567135 427962064 /nfs/dbraw/zinc/96/20/64/427962064.db2.gz ALINYKFLXQPRMK-IRXDYDNUSA-N 2 0 311.514 2.687 20 0 DFADRP C[C@@H]1C[C@H](N[C@@H]2CC[NH+](C)[C@H](c3ccccc3)C2)CC[N@@H+]1C ZINC000340262696 427969857 /nfs/dbraw/zinc/96/98/57/427969857.db2.gz ZVHDSLNOBZWRGE-OWYHZJEWSA-N 2 0 301.478 2.894 20 0 DFADRP CCC[C@@H]([NH2+]C(C)C)C(=O)N(CCC)CC[NH+]1CCCCC1 ZINC000359723981 427989492 /nfs/dbraw/zinc/98/94/92/427989492.db2.gz URRQQFLUHUCBDR-QGZVFWFLSA-N 2 0 311.514 2.878 20 0 DFADRP c1ccc(OCC[NH2+]C2CCN(Cc3ccccn3)CC2)cc1 ZINC000359592611 427927410 /nfs/dbraw/zinc/92/74/10/427927410.db2.gz NYUPVSCHNYHUDI-UHFFFAOYSA-N 2 0 311.429 2.715 20 0 DFADRP CC[C@H](C(=O)N1CC[NH+](CCC(C)(C)C)CC1)[NH+](CC)CC ZINC000345840350 427928197 /nfs/dbraw/zinc/92/81/97/427928197.db2.gz INYAJHAELLYQDW-MRXNPFEDSA-N 2 0 311.514 2.687 20 0 DFADRP COc1ccc(CNCc2cnc3n2CCCC3)c(OC)c1 ZINC000376770025 427995038 /nfs/dbraw/zinc/99/50/38/427995038.db2.gz XSKPLQWPBVOVRV-UHFFFAOYSA-N 2 0 301.390 2.526 20 0 DFADRP C[C@H](C(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)[NH+]1CCCCCC1 ZINC000341342987 428041032 /nfs/dbraw/zinc/04/10/32/428041032.db2.gz GSFKGDIGSJVHSP-HZPDHXFCSA-N 2 0 311.514 2.734 20 0 DFADRP Cn1cc2c(n1)CCC[C@@H]2[NH2+]C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000377093174 428054159 /nfs/dbraw/zinc/05/41/59/428054159.db2.gz JOWQHELUSCFFJM-HKUYNNGSSA-N 2 0 324.472 2.909 20 0 DFADRP COc1cc(C[NH2+]C[C@@H]2CCC[C@@H]2N2CCOCC2)ccc1C ZINC000377085212 428054263 /nfs/dbraw/zinc/05/42/63/428054263.db2.gz XMOMFPGCONNRNX-ROUUACIJSA-N 2 0 318.461 2.594 20 0 DFADRP CCOC[C@H]1CCC[N@H+](Cc2cn(-c3cc[nH+]cc3)nc2C)C1 ZINC000346186257 428058767 /nfs/dbraw/zinc/05/87/67/428058767.db2.gz YJFYGOSGOYRSLU-INIZCTEOSA-N 2 0 314.433 2.824 20 0 DFADRP COc1cc2[nH+]ccc(N[C@@H]3CCC[N@H+](C)[C@@H]3C)c2cc1OC ZINC000413233386 427999048 /nfs/dbraw/zinc/99/90/48/427999048.db2.gz DFIJDQHLSFGCLA-TZMCWYRMSA-N 2 0 315.417 2.569 20 0 DFADRP CCCn1ccnc1CCCN(C)c1cc(NC2CC2)ncn1 ZINC000413257799 428002669 /nfs/dbraw/zinc/00/26/69/428002669.db2.gz FWZAXJSBKSCJBR-UHFFFAOYSA-N 2 0 314.437 2.726 20 0 DFADRP CC(C)[NH+]1CCC(O)(C[NH2+]Cc2ccsc2Cl)CC1 ZINC000359767882 428011202 /nfs/dbraw/zinc/01/12/02/428011202.db2.gz MWAOZPKLJKBFPW-UHFFFAOYSA-N 2 0 302.871 2.726 20 0 DFADRP COc1cccc(C[C@@H](C)[NH2+]C2CC[NH+](C3CCC3)CC2)n1 ZINC000341204940 428012513 /nfs/dbraw/zinc/01/25/13/428012513.db2.gz KCDJCCCCSSPXKD-CQSZACIVSA-N 2 0 303.450 2.628 20 0 DFADRP CC[C@H](C(=O)N1CCC[C@H]1C[NH+]1CCCCC1)[NH+](CC)CC ZINC000359788166 428019279 /nfs/dbraw/zinc/01/92/79/428019279.db2.gz DNZKUGUNDDWFKO-DLBZAZTESA-N 2 0 309.498 2.584 20 0 DFADRP CC(C)[NH+](CCN(C)C(=O)c1ccc2c[nH+]cn2c1)C(C)C ZINC000341455770 428070969 /nfs/dbraw/zinc/07/09/69/428070969.db2.gz NIHITQHBKJHOBW-UHFFFAOYSA-N 2 0 302.422 2.525 20 0 DFADRP CC[N@@H+]1CC[C@H](NC[C@@H]2CC[NH+](C)[C@@H]2c2ccccc2)[C@H](C)C1 ZINC000369849758 428076015 /nfs/dbraw/zinc/07/60/15/428076015.db2.gz CZRUFKMMAWWMOC-BTHPGYMESA-N 2 0 315.505 2.999 20 0 DFADRP Cc1cncn1C1CCN(C(=O)[C@@H]2CCCC[N@H+]2C(C)C)CC1 ZINC000369875869 428082587 /nfs/dbraw/zinc/08/25/87/428082587.db2.gz XGNAFJNJDPQFLZ-KRWDZBQOSA-N 2 0 318.465 2.618 20 0 DFADRP COc1cc([C@@H](C)[NH2+]CCOCC[NH+](C)C)ccc1SC ZINC000351501040 428096844 /nfs/dbraw/zinc/09/68/44/428096844.db2.gz HZPPNMGBFYHUHL-CYBMUJFWSA-N 2 0 312.479 2.646 20 0 DFADRP C[C@H]1C[C@@H](C(=O)NC2CC[NH+](C3CCCCC3)CC2)CC[N@@H+]1C ZINC000377330761 428106276 /nfs/dbraw/zinc/10/62/76/428106276.db2.gz PCTBIBZJVPESMP-HOTGVXAUSA-N 2 0 321.509 2.630 20 0 DFADRP COC(C)(C)CC[NH+]1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000346279719 428107104 /nfs/dbraw/zinc/10/71/04/428107104.db2.gz NJCSUVYLZAXGMY-IYBDPMFKSA-N 2 0 312.498 2.623 20 0 DFADRP Cc1cnc(CN2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C2)o1 ZINC000377337836 428108002 /nfs/dbraw/zinc/10/80/02/428108002.db2.gz QLTUFSBPLDFDCV-ROUUACIJSA-N 2 0 311.429 2.937 20 0 DFADRP C[NH+](C)Cc1cccc(NC(=O)[C@H]2C[C@H]3CCCC[N@@H+]3C2)c1 ZINC000370017836 428111580 /nfs/dbraw/zinc/11/15/80/428111580.db2.gz KYNJIHCJTCYRAH-DOTOQJQBSA-N 2 0 301.434 2.561 20 0 DFADRP C[C@@H]1CCCC[N@@H+]1CCNC(=O)[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC000360007760 428115295 /nfs/dbraw/zinc/11/52/95/428115295.db2.gz RDAYVHHMNXDLFT-IAGOWNOFSA-N 2 0 321.509 2.632 20 0 DFADRP CC[C@@H](c1ccccc1OC)N(C)C[C@H](O)C[N@H+](C)C1CC1 ZINC000351967405 428117404 /nfs/dbraw/zinc/11/74/04/428117404.db2.gz LIEGNXWVCIIDIB-WBVHZDCISA-N 2 0 306.450 2.533 20 0 DFADRP C[NH+](C)CCOc1ccccc1N1CC[NH+](CCC2CC2)CC1 ZINC000360025065 428121691 /nfs/dbraw/zinc/12/16/91/428121691.db2.gz RJHGIJDGXINIQX-UHFFFAOYSA-N 2 0 317.477 2.549 20 0 DFADRP Cc1nn(-c2cc[nH+]cc2)cc1C[NH+]1CCC(CCCO)CC1 ZINC000346353714 428138669 /nfs/dbraw/zinc/13/86/69/428138669.db2.gz MPCXAULVYQUFFM-UHFFFAOYSA-N 2 0 314.433 2.560 20 0 DFADRP CC(C)[N@@H+]1CCc2nc(CN3CCCC[C@H]3CC[NH3+])sc2C1 ZINC000352540115 428142542 /nfs/dbraw/zinc/14/25/42/428142542.db2.gz HGJUUQMUHIUREU-AWEZNQCLSA-N 2 0 322.522 2.613 20 0 DFADRP CCOC(=O)c1ccc(C[N@H+](CCC[NH3+])CC2CCCC2)o1 ZINC000352540991 428142700 /nfs/dbraw/zinc/14/27/00/428142700.db2.gz RZKQMBTULWASLE-UHFFFAOYSA-N 2 0 308.422 2.797 20 0 DFADRP C[N@@H+]1CC[C@H](CNC(=[NH2+])Nc2ccccn2)[C@H]1c1cccs1 ZINC000370164692 428148665 /nfs/dbraw/zinc/14/86/65/428148665.db2.gz XYOCDCFMJRRXLR-DOMZBBRYSA-N 2 0 315.446 2.772 20 0 DFADRP CC(C)[C@@H](CSc1ccccc1)[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000352558278 428149091 /nfs/dbraw/zinc/14/90/91/428149091.db2.gz VXFLLGHOYQKRPI-FUHWJXTLSA-N 2 0 322.518 2.850 20 0 DFADRP COCCN1CCC[C@@H]1C[NH2+]C1CC(c2cc(F)cc(F)c2)C1 ZINC000377548324 428156345 /nfs/dbraw/zinc/15/63/45/428156345.db2.gz GMTPMIPLDRFUCU-IUPXNIOVSA-N 2 0 324.415 2.911 20 0 DFADRP Cc1ccc(C[N@H+]2CCC[C@@H](CN3CC[NH+](C)CC3)C2)c(C)c1 ZINC000377617610 428173858 /nfs/dbraw/zinc/17/38/58/428173858.db2.gz AOZVEGFABPNHMX-IBGZPJMESA-N 2 0 315.505 2.763 20 0 DFADRP CC1=CCC[C@H](C)[C@H]1C[N@@H+]1CCC[C@@H](CN2CC[NH+](C)CC2)C1 ZINC000377626753 428176330 /nfs/dbraw/zinc/17/63/30/428176330.db2.gz OGTBTFOVVMCUJF-UFYCRDLUSA-N 2 0 319.537 2.938 20 0 DFADRP CC(C)C(C[N@@H+]1CCC[C@@H](CN2CC[NH+](C)CC2)C1)C(C)C ZINC000377623468 428176415 /nfs/dbraw/zinc/17/64/15/428176415.db2.gz JPZPLAZKSNJSFL-SFHVURJKSA-N 2 0 309.542 2.874 20 0 DFADRP c1nc([C@@H]2CCCN(CCC[NH+]3CCCC3)C2)n2c1CCCC2 ZINC000370298139 428179066 /nfs/dbraw/zinc/17/90/66/428179066.db2.gz NVAGOYVHJSTCMK-QGZVFWFLSA-N 3 0 316.493 2.885 20 0 DFADRP COc1cccc(C[N@@H+]2CC[C@@H](CNc3cc(C)cc[nH+]3)C2)n1 ZINC000377647105 428181156 /nfs/dbraw/zinc/18/11/56/428181156.db2.gz LNSGHWMVRSXENK-HNNXBMFYSA-N 2 0 312.417 2.728 20 0 DFADRP C[C@H]([NH2+]CCN1CC[N@H+](C)C[C@@H]1c1ccccc1)c1cccnc1 ZINC000370316264 428181672 /nfs/dbraw/zinc/18/16/72/428181672.db2.gz RYRHWVUGENLDCV-FXAWDEMLSA-N 2 0 324.472 2.721 20 0 DFADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]CCCc2ccncc2)[C@@H](C)C1 ZINC000346570903 428223377 /nfs/dbraw/zinc/22/33/77/428223377.db2.gz QAMOMHHTUDFMEK-HKUYNNGSSA-N 2 0 319.493 2.741 20 0 DFADRP Cc1ncc(C(=O)N[C@@H](C[N@H+](C)Cc2ccccc2)C(C)C)[nH]1 ZINC000346573183 428224239 /nfs/dbraw/zinc/22/42/39/428224239.db2.gz QJKJTWVJYYBEEL-KRWDZBQOSA-N 2 0 314.433 2.605 20 0 DFADRP COC[C@H]([NH2+]CC[C@H]1CCC[N@H+](C)C1)c1ccc(F)c(F)c1 ZINC000414172295 428225032 /nfs/dbraw/zinc/22/50/32/428225032.db2.gz DSXYHHYSYSCNQB-DYVFJYSZSA-N 2 0 312.404 2.974 20 0 DFADRP OC[C@@H]1CCC[N@@H+]1CCCC[NH2+]C/C=C\c1ccc(F)c(F)c1 ZINC000352749337 428232049 /nfs/dbraw/zinc/23/20/49/428232049.db2.gz MNRLROVXKRZGLZ-IMMZDGJCSA-N 2 0 324.415 2.805 20 0 DFADRP CC(C)CCOCC[NH2+][C@@H]1CC[N@H+](C[C@H]2CCCO2)C[C@H]1C ZINC000370653950 428264469 /nfs/dbraw/zinc/26/44/69/428264469.db2.gz VPAIHRHJTQGPEA-KZNAEPCWSA-N 2 0 312.498 2.528 20 0 DFADRP c1[nH]nc2c1CC[C@H]([NH2+]C1CC[NH+](C3CCCCC3)CC1)C2 ZINC000370660738 428267789 /nfs/dbraw/zinc/26/77/89/428267789.db2.gz CQWMORROZRDLCZ-INIZCTEOSA-N 2 0 302.466 2.654 20 0 DFADRP C[C@@H]1C[C@H]([NH2+]C[C@H]2CCN(c3ccc(F)c(F)c3)C2)CC[N@@H+]1C ZINC000370679583 428272318 /nfs/dbraw/zinc/27/23/18/428272318.db2.gz UJOVAEMLZLABQY-RBSFLKMASA-N 2 0 323.431 2.863 20 0 DFADRP C[C@H]1C[C@@H](C(=O)N[C@@H]2CCC[NH+](C3CCCCC3)C2)CC[N@@H+]1C ZINC000377969625 428273581 /nfs/dbraw/zinc/27/35/81/428273581.db2.gz ZFEJEPSCNNCIQY-YESZJQIVSA-N 2 0 321.509 2.630 20 0 DFADRP CC(C)Cc1ncc(C[NH+]2CCC(OCCC[NH3+])CC2)s1 ZINC000346693588 428276405 /nfs/dbraw/zinc/27/64/05/428276405.db2.gz ODUXLZCCFGTOPV-UHFFFAOYSA-N 2 0 311.495 2.671 20 0 DFADRP C[N@H+](Cc1ccc(Oc2cnccn2)cc1)CC(C)(C)C[NH3+] ZINC000346694570 428278217 /nfs/dbraw/zinc/27/82/17/428278217.db2.gz UZGBBBBFBLMNMK-UHFFFAOYSA-N 2 0 300.406 2.686 20 0 DFADRP Cc1c(F)cccc1NC(=O)CC[N@@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000342080165 428295540 /nfs/dbraw/zinc/29/55/40/428295540.db2.gz FZTRCBAETDVRCI-OFQRWUPVSA-N 2 0 319.424 2.522 20 0 DFADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CCC[C@H]2OC)[C@H](C)C1 ZINC000341911454 428248345 /nfs/dbraw/zinc/24/83/45/428248345.db2.gz UTUYVZPBIXSJLX-VSZNYVQBSA-N 2 0 312.498 2.528 20 0 DFADRP C[NH2+]CCC1CC[NH+](Cc2c[nH]nc2-c2cccs2)CC1 ZINC000346638043 428251375 /nfs/dbraw/zinc/25/13/75/428251375.db2.gz IUBJSXIUQATPMC-UHFFFAOYSA-N 2 0 304.463 2.960 20 0 DFADRP CC1=C[C@H](C)C[C@H](C[NH2+][C@H](CC(C)C)C(=O)NCC[NH+](C)C)C1 ZINC000352799466 428253296 /nfs/dbraw/zinc/25/32/96/428253296.db2.gz OHHJUDODSJFOHZ-RYQLBKOJSA-N 2 0 323.525 2.661 20 0 DFADRP CCC1CC([NH2+]CC2(O)CC[NH+](Cc3ccccc3)CC2)C1 ZINC000414308481 428255630 /nfs/dbraw/zinc/25/56/30/428255630.db2.gz QKKAVDMXWNIHCV-UHFFFAOYSA-N 2 0 302.462 2.792 20 0 DFADRP CCC[C@@H]1CN(c2cc(C)nc(C3CC3)n2)CC[N@@H+]1CCOC ZINC000346656298 428258632 /nfs/dbraw/zinc/25/86/32/428258632.db2.gz NNWXRPCLOFKXDU-MRXNPFEDSA-N 2 0 318.465 2.600 20 0 DFADRP C[NH2+]CCC1CC[NH+](Cc2cn(C)nc2-c2cccs2)CC1 ZINC000346656930 428258948 /nfs/dbraw/zinc/25/89/48/428258948.db2.gz SMUHUUUCHXWGBA-UHFFFAOYSA-N 2 0 318.490 2.970 20 0 DFADRP C[C@H]([NH2+][C@H]1CCN(C2CC[NH+](C)CC2)C1)c1ccc(F)cc1 ZINC000370637274 428259592 /nfs/dbraw/zinc/25/95/92/428259592.db2.gz UIVILDKNYXUMEA-YOEHRIQHSA-N 2 0 305.441 2.645 20 0 DFADRP CCc1ccc([C@H](C)[NH2+][C@H]2CCN(C3CC[NH+](C)CC3)C2)o1 ZINC000370635414 428260429 /nfs/dbraw/zinc/26/04/29/428260429.db2.gz PBOSQLXZYJWHGL-GJZGRUSLSA-N 2 0 305.466 2.661 20 0 DFADRP C[N@@H+]1CCCC[C@@H]1CCN1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000370879054 428313274 /nfs/dbraw/zinc/31/32/74/428313274.db2.gz LAMKOGNFAKQSRG-SCTDSRPQSA-N 2 0 305.510 2.810 20 0 DFADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]CCc1ccc(F)c(F)c1F ZINC000346801511 428321804 /nfs/dbraw/zinc/32/18/04/428321804.db2.gz SQGYJVUGLKFWKY-JTNHKYCSSA-N 2 0 300.368 2.965 20 0 DFADRP C[C@H]1C[N@H+](C)CC[C@H]1[NH2+]CCCOCCOCc1ccccc1 ZINC000356825801 428324524 /nfs/dbraw/zinc/32/45/24/428324524.db2.gz ATUZLVPSCQQVGO-PKOBYXMFSA-N 2 0 320.477 2.540 20 0 DFADRP CCC[C@@H]([NH2+]C(C)C)C(=O)N1CCC[C@H]1C[NH+]1CCCCC1 ZINC000352968309 428332576 /nfs/dbraw/zinc/33/25/76/428332576.db2.gz ORLCAOMIDOGFFG-DLBZAZTESA-N 2 0 309.498 2.630 20 0 DFADRP CC(C)n1ncc2cc(C[N@@H+]3C[C@@H]4CCC[C@@H]([NH3+])[C@H]4C3)cnc21 ZINC000346829887 428335168 /nfs/dbraw/zinc/33/51/68/428335168.db2.gz OJQYUUCAKDFRKU-BHYGNILZSA-N 2 0 313.449 2.571 20 0 DFADRP Cc1nn(C(C)(C)C)c(C)c1C[N@@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000346832603 428336064 /nfs/dbraw/zinc/33/60/64/428336064.db2.gz LPPJGWASZSFCHY-UAGQMJEPSA-N 2 0 304.482 2.814 20 0 DFADRP COCC[N@H+](CCCOc1ccc(F)cc1)C[C@@H]1CCC[NH2+]C1 ZINC000346833837 428337419 /nfs/dbraw/zinc/33/74/19/428337419.db2.gz MQQHLVVMONYWMR-MRXNPFEDSA-N 2 0 324.440 2.543 20 0 DFADRP C[C@H](Cn1ccnc1)[NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]12 ZINC000356858330 428340332 /nfs/dbraw/zinc/34/03/32/428340332.db2.gz XMHBDMBYEDPJSB-VBSBHUPXSA-N 2 0 324.472 2.772 20 0 DFADRP Fc1cccc(CN(C[C@H]2CCCO2)C[C@H]2CCC[NH2+]C2)c1 ZINC000346840501 428341372 /nfs/dbraw/zinc/34/13/72/428341372.db2.gz GDWOUMMVDCSKOJ-FUHWJXTLSA-N 2 0 306.425 2.806 20 0 DFADRP CC[C@H]1[NH2+]CC[C@@H]1c1nc(-c2ccc(C[NH+](C)C)cc2)no1 ZINC000356884920 428348132 /nfs/dbraw/zinc/34/81/32/428348132.db2.gz PSGKREULUCALMY-LSDHHAIUSA-N 2 0 300.406 2.654 20 0 DFADRP [NH3+][C@@H]1CC[C@@H]2C[N@H+](Cc3cccc(OCc4ccccn4)c3)C[C@H]12 ZINC000346854221 428348682 /nfs/dbraw/zinc/34/86/82/428348682.db2.gz TZMKRQZENQVNRB-LSTHTHJFSA-N 2 0 323.440 2.830 20 0 DFADRP CC[C@@H](C(=O)Nc1cccc(CC[N@H+](C)C2CC2)c1)[NH+](C)C ZINC000342206229 428349643 /nfs/dbraw/zinc/34/96/43/428349643.db2.gz ADHDZYGJTZVJJP-KRWDZBQOSA-N 2 0 303.450 2.602 20 0 DFADRP CCC[N@H+](CC)CCNC1CC[NH+](CCC(F)(F)F)CC1 ZINC000356887497 428351059 /nfs/dbraw/zinc/35/10/59/428351059.db2.gz YNXGGDDKOUKBSI-UHFFFAOYSA-N 2 0 309.420 2.725 20 0 DFADRP C[C@@H]([NH2+]CC[C@H]1CCCC[N@@H+]1C)c1ccc(-n2ccnn2)cc1 ZINC000342209391 428351956 /nfs/dbraw/zinc/35/19/56/428351956.db2.gz RYGGXTUEVQAWSO-NVXWUHKLSA-N 2 0 313.449 2.792 20 0 DFADRP [NH3+][C@@H]1CCC[C@@H]2CN(CC(=O)Nc3cccc4ccccc43)C[C@H]21 ZINC000342102444 428300957 /nfs/dbraw/zinc/30/09/57/428300957.db2.gz MCNULSSWEAUYTI-KBAYOESNSA-N 2 0 323.440 2.838 20 0 DFADRP Cc1cc(CN2CC[C@@H]3C[NH2+]C[C@H]3C2)sc1Br ZINC000357107769 428390166 /nfs/dbraw/zinc/39/01/66/428390166.db2.gz TVPUJYNBDAABNX-MNOVXSKESA-N 2 0 315.280 2.860 20 0 DFADRP COC(=O)[C@@H]1CC[C@@H](c2ccccc2)[N@@H+]1C[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000414751222 428393720 /nfs/dbraw/zinc/39/37/20/428393720.db2.gz AAMGUXZLMNCWPH-MVJTYMMSSA-N 2 0 316.445 2.753 20 0 DFADRP C[C@H]1C[C@@H](C[NH+]2CCC(c3ncc4n3CCCC4)CC2)CC[NH2+]1 ZINC000414756476 428394626 /nfs/dbraw/zinc/39/46/26/428394626.db2.gz JRSKYNDVLUECIL-HOTGVXAUSA-N 2 0 316.493 2.787 20 0 DFADRP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@@H+]2CCc1ccccc1F ZINC000346984127 428395105 /nfs/dbraw/zinc/39/51/05/428395105.db2.gz OPRAJFRTXBZYMY-BPQIPLTHSA-N 2 0 306.425 2.552 20 0 DFADRP [NH3+][C@@H]1CCO[C@H]1C1CC[NH+](Cc2sccc2Cl)CC1 ZINC000414770260 428397527 /nfs/dbraw/zinc/39/75/27/428397527.db2.gz LPVRRMFHHDWWFE-OCCSQVGLSA-N 2 0 300.855 2.730 20 0 DFADRP OCCC[N@H+](C[C@@H]1CCC[NH2+]C1)[C@@H]1CCCc2ccccc21 ZINC000346994682 428399565 /nfs/dbraw/zinc/39/95/65/428399565.db2.gz UXRAOQGNIKCXJM-VQIMIIECSA-N 2 0 302.462 2.748 20 0 DFADRP CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C[C@@H]1CCC[NH2+]C1 ZINC000346992411 428400117 /nfs/dbraw/zinc/40/01/17/428400117.db2.gz UCFGPKFFKYYJGJ-UXHICEINSA-N 2 0 315.505 2.830 20 0 DFADRP C[C@H]([NH3+])C1CC[NH+](Cc2c[nH]nc2-c2c(F)cccc2F)CC1 ZINC000346998396 428402267 /nfs/dbraw/zinc/40/22/67/428402267.db2.gz CUPQIPWIQLROCR-NSHDSACASA-N 2 0 320.387 2.914 20 0 DFADRP [NH3+][C@@H]1CCO[C@H]1C1CC[NH+](Cc2cnc3ccccc3c2)CC1 ZINC000414778906 428403801 /nfs/dbraw/zinc/40/38/01/428403801.db2.gz QSKQIEFIBSKQHT-MJGOQNOKSA-N 2 0 311.429 2.563 20 0 DFADRP COc1ccc(C[N@@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)cc1OC ZINC000414785035 428406203 /nfs/dbraw/zinc/40/62/03/428406203.db2.gz SBDRMZWHEKTVEM-HOTGVXAUSA-N 2 0 304.434 2.525 20 0 DFADRP C[C@@H]1CN(CC(C)(C)C[N@H+](C)Cc2ccccc2)C[C@H](C)[NH2+]1 ZINC000347007610 428407124 /nfs/dbraw/zinc/40/71/24/428407124.db2.gz RAUUPIQMHRKKNL-CALCHBBNSA-N 2 0 303.494 2.827 20 0 DFADRP CCOc1cc(C[N@@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)ccc1OC ZINC000414783262 428407917 /nfs/dbraw/zinc/40/79/17/428407917.db2.gz PSHVSCSLGGGFEL-IAGOWNOFSA-N 2 0 318.461 2.915 20 0 DFADRP Cc1ccc(NC(=O)C[C@H](C)[NH2+]C[C@H]([NH3+])C(C)C)c(Cl)c1 ZINC000414788680 428408651 /nfs/dbraw/zinc/40/86/51/428408651.db2.gz DSVADYKPGDRPTK-JSGCOSHPSA-N 2 0 311.857 2.938 20 0 DFADRP CCC(C)(C)[NH2+][C@H](C)C(=O)NC[C@@H]1CCC[N@H+](CC(C)C)C1 ZINC000357151170 428409137 /nfs/dbraw/zinc/40/91/37/428409137.db2.gz SLUGXNCEPBAIHU-CVEARBPZSA-N 2 0 311.514 2.637 20 0 DFADRP c1[nH]nc(-c2ccccc2)c1C[N@@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000414789759 428409457 /nfs/dbraw/zinc/40/94/57/428409457.db2.gz YWMVEBRSIVIUMJ-DLBZAZTESA-N 2 0 310.445 2.898 20 0 DFADRP COc1sc(C[NH2+][C@H]2CCC[C@@H]2C[NH3+])cc1Br ZINC000414792006 428412882 /nfs/dbraw/zinc/41/28/82/428412882.db2.gz BUDYUGGIJGAHCB-KCJUWKMLSA-N 2 0 319.268 2.736 20 0 DFADRP COC(=O)CC[N@@H+]1CCC[C@H]([NH+](C)Cc2ccccc2)CC1 ZINC000371099171 428360326 /nfs/dbraw/zinc/36/03/26/428360326.db2.gz LTPKFGPRGJZKRH-KRWDZBQOSA-N 2 0 304.434 2.536 20 0 DFADRP CO[C@@H]1CCN(Cc2ccc(C(F)(F)F)c(C)c2)[C@@H](C[NH3+])C1 ZINC000414655627 428365655 /nfs/dbraw/zinc/36/56/55/428365655.db2.gz DMFIUJFMTVNZQB-ZIAGYGMSSA-N 2 0 316.367 2.952 20 0 DFADRP C[C@@H](c1cccc(Cl)c1)[N@H+](C)C[C@@H]1CCCN(C(=O)C[NH3+])C1 ZINC000414670245 428370072 /nfs/dbraw/zinc/37/00/72/428370072.db2.gz CSROAWDXTGIETD-KBPBESRZSA-N 2 0 323.868 2.530 20 0 DFADRP CC(C)[NH+](CCN(C)C(=O)[C@@H](C)[N@H+]1[C@H](C)CC[C@@H]1C)C(C)C ZINC000357048321 428370260 /nfs/dbraw/zinc/37/02/60/428370260.db2.gz CTPYNXKVBBRWTE-IXDOHACOSA-N 2 0 311.514 2.825 20 0 DFADRP C[C@@H](c1ccccc1Cl)[N@H+](C)C[C@H]1CCCN(C(=O)C[NH3+])C1 ZINC000414669068 428370432 /nfs/dbraw/zinc/37/04/32/428370432.db2.gz BEMTXNBNZNYQFL-UONOGXRCSA-N 2 0 323.868 2.530 20 0 DFADRP C[C@@H]1C[C@H](C[N@@H+]2CCC[C@H]2c2ccc3c(c2)OCCO3)CC[NH2+]1 ZINC000414681372 428372683 /nfs/dbraw/zinc/37/26/83/428372683.db2.gz OXUTZSDTNSCNNR-INMHGKMJSA-N 2 0 316.445 2.983 20 0 DFADRP Cc1cccc(C)c1NC(=O)C[N@@H+](C)C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000414680127 428372815 /nfs/dbraw/zinc/37/28/15/428372815.db2.gz SQPZRDHHCJXAAI-HZPDHXFCSA-N 2 0 303.450 2.562 20 0 DFADRP CC(C)C[C@H]([NH3+])CN1CCC[N@H+](Cc2ccc(F)cc2)CC1 ZINC000414678233 428372931 /nfs/dbraw/zinc/37/29/31/428372931.db2.gz JWMUBHLXOZLTAJ-SFHVURJKSA-N 2 0 307.457 2.707 20 0 DFADRP COCC[N@H+](CCOc1ccc(F)cc1)C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000414688777 428375045 /nfs/dbraw/zinc/37/50/45/428375045.db2.gz DYBSMIJLLYDDIP-HZPDHXFCSA-N 2 0 324.440 2.541 20 0 DFADRP CC(C)C[C@H]([NH3+])CN(C)Cc1nccn1Cc1ccccc1 ZINC000414691337 428376135 /nfs/dbraw/zinc/37/61/35/428376135.db2.gz IVFKKNSYKHWNHS-KRWDZBQOSA-N 2 0 300.450 2.737 20 0 DFADRP C[C@@H]1C[C@@H](C[N@H+](CCCO)[C@@H]2CCc3ccccc32)CC[NH2+]1 ZINC000414688012 428377439 /nfs/dbraw/zinc/37/74/39/428377439.db2.gz CYCXRZQNPFGDKJ-JTDSTZFVSA-N 2 0 302.462 2.746 20 0 DFADRP C[C@@H]1C[N@H+](C)C[C@@H]1NC[C@H]1CCCC[NH+](Cc2ccccc2)C1 ZINC000353081716 428378933 /nfs/dbraw/zinc/37/89/33/428378933.db2.gz OEPQHUVKVKGWIK-RLLQIKCJSA-N 2 0 315.505 2.828 20 0 DFADRP C[C@@H](C[NH3+])NC(=O)Nc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000414705648 428381127 /nfs/dbraw/zinc/38/11/27/428381127.db2.gz FVEPJVVNAYEGQC-AWEZNQCLSA-N 2 0 318.465 2.920 20 0 DFADRP CC(C)C[C@@H](N)C[N@H+](C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000414703577 428381307 /nfs/dbraw/zinc/38/13/07/428381307.db2.gz CLOWDXOJQXNSNB-QGZVFWFLSA-N 2 0 304.482 2.603 20 0 DFADRP CC1CC[NH+](C[C@@H]2CCC[N@H+](C[C@@H]3CC[NH2+][C@@H](C)C3)C2)CC1 ZINC000414700877 428381540 /nfs/dbraw/zinc/38/15/40/428381540.db2.gz ZWRSXPRXBWMCGB-OTWHNJEPSA-N 3 0 307.526 2.818 20 0 DFADRP CCS[C@H](C)c1noc(CN(C)C[C@@H]2CC[NH2+][C@H](C)C2)n1 ZINC000414714903 428383454 /nfs/dbraw/zinc/38/34/54/428383454.db2.gz WCLCBDNBCAERLL-JHJVBQTASA-N 2 0 312.483 2.704 20 0 DFADRP [NH3+]CC(=O)N1CCC[C@H](C[N@@H+]2CCC[C@H]2CCC2CCCC2)C1 ZINC000414715433 428386456 /nfs/dbraw/zinc/38/64/56/428386456.db2.gz WUGCARZAYWNWCL-MSOLQXFVSA-N 2 0 321.509 2.619 20 0 DFADRP [NH3+]C1(C[NH2+]C2CCN(c3ccccn3)CC2)CCCCCC1 ZINC000414860107 428435165 /nfs/dbraw/zinc/43/51/65/428435165.db2.gz OEUKNBBHSXWYIJ-UHFFFAOYSA-N 2 0 302.466 2.692 20 0 DFADRP Fc1cccc(-c2ccc(C[NH2+]CCN3CC[NH2+]CC3)s2)c1 ZINC000414861420 428436130 /nfs/dbraw/zinc/43/61/30/428436130.db2.gz FJHHRAZDJJNSLQ-UHFFFAOYSA-N 2 0 319.449 2.549 20 0 DFADRP C[NH2+]CC1CC[NH+](Cc2cn(C)nc2C2CCCCC2)CC1 ZINC000347082463 428436722 /nfs/dbraw/zinc/43/67/22/428436722.db2.gz ZBRILHFEIWRVLI-UHFFFAOYSA-N 2 0 304.482 2.899 20 0 DFADRP [NH3+]C[C@@H](NC1CC[NH+](Cc2ccncc2)CC1)C1CCCCC1 ZINC000414856398 428436973 /nfs/dbraw/zinc/43/69/73/428436973.db2.gz YWBQJRZSUZHLOE-LJQANCHMSA-N 2 0 316.493 2.543 20 0 DFADRP Cn1cc(CNCC2([NH3+])CCCCCC2)c(-c2ccncc2)n1 ZINC000414864465 428437957 /nfs/dbraw/zinc/43/79/57/428437957.db2.gz ZDEWAGJRQGDIJL-UHFFFAOYSA-N 2 0 313.449 2.623 20 0 DFADRP C[C@H](Cc1ccc(Br)cc1F)[NH2+]CC1([NH3+])CCC1 ZINC000414878605 428440316 /nfs/dbraw/zinc/44/03/16/428440316.db2.gz OKCKBVFEUAYUJM-SNVBAGLBSA-N 2 0 315.230 2.990 20 0 DFADRP c1nc2ccccc2n1-c1ccc(CN[C@H]2CCC[NH2+]C2)cc1 ZINC000414871345 428441197 /nfs/dbraw/zinc/44/11/97/428441197.db2.gz UMIUQRWLYQJQMH-INIZCTEOSA-N 2 0 306.413 2.867 20 0 DFADRP CCC[N@H+](C)CC(=O)NC[C@@H]1CCC[NH+](C)[C@H]1c1cccs1 ZINC000357228514 428445150 /nfs/dbraw/zinc/44/51/50/428445150.db2.gz XZDHZEWKLVEKSV-WMLDXEAASA-N 2 0 323.506 2.589 20 0 DFADRP CSC[C@H](CCO)[NH2+][C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000357232341 428445860 /nfs/dbraw/zinc/44/58/60/428445860.db2.gz NTBKFALWPOROAK-JQHSSLGASA-N 2 0 322.518 2.601 20 0 DFADRP C[C@H](C[NH3+])C[NH2+][C@@H](C)Cc1ccc(Br)cc1F ZINC000414887150 428446961 /nfs/dbraw/zinc/44/69/61/428446961.db2.gz YXCPSXZDQVDOMS-ZJUUUORDSA-N 2 0 303.219 2.704 20 0 DFADRP C[C@@H](C[NH3+])C[NH2+][C@@H](C)CC(=O)Nc1ccccc1C(F)(F)F ZINC000414885879 428447396 /nfs/dbraw/zinc/44/73/96/428447396.db2.gz XPOOEIXDCPWUEN-QWRGUYRKSA-N 2 0 317.355 2.607 20 0 DFADRP COc1ccc([C@@H]2CC[NH2+]C[C@H]2NCc2ccsc2)cc1 ZINC000414893174 428447507 /nfs/dbraw/zinc/44/75/07/428447507.db2.gz YASMPHXIZAPXDB-DLBZAZTESA-N 2 0 302.443 2.992 20 0 DFADRP C[C@@H]([NH3+])[C@@H]1CCCCN1Cc1cnc(-c2ccncc2)s1 ZINC000347106883 428447802 /nfs/dbraw/zinc/44/78/02/428447802.db2.gz NXLLHMJKUAWBNY-DOMZBBRYSA-N 2 0 302.447 2.907 20 0 DFADRP C[C@@H](c1ccccc1)N1CC[C@@H]([NH2+]CC2(C)CC[NH2+]CC2)C1 ZINC000414896625 428449835 /nfs/dbraw/zinc/44/98/35/428449835.db2.gz CIXTVKLBNSSTAS-FUHWJXTLSA-N 2 0 301.478 2.801 20 0 DFADRP COCCOC[C@H](C)[NH2+][C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000357241509 428450225 /nfs/dbraw/zinc/45/02/25/428450225.db2.gz XLJYWNRVKYSNNL-JENIJYKNSA-N 2 0 320.477 2.538 20 0 DFADRP COc1ccc(C[NH2+]CC2(C)CC[NH2+]CC2)c(Cl)c1OC ZINC000414899043 428450260 /nfs/dbraw/zinc/45/02/60/428450260.db2.gz GQQSSFANQXFBJC-UHFFFAOYSA-N 2 0 312.841 2.837 20 0 DFADRP C[C@@H](CC[NH3+])[NH2+]Cc1cn(C2CCCC2)nc1-c1ccccn1 ZINC000414901857 428450298 /nfs/dbraw/zinc/45/02/98/428450298.db2.gz XQARTIHMOUPMTC-AWEZNQCLSA-N 2 0 313.449 2.887 20 0 DFADRP [NH3+]C[C@@H]1CCC[C@@H]1C(=O)NCC1([NH+]2CCCCC2)CCCCC1 ZINC000378961914 428450752 /nfs/dbraw/zinc/45/07/52/428450752.db2.gz RDYBFMFADHGPFI-IRXDYDNUSA-N 2 0 321.509 2.666 20 0 DFADRP CCc1ccccc1NC(=O)C[C@H](C)[NH2+]C[C@]1(C)CCC[NH2+]C1 ZINC000414902214 428452378 /nfs/dbraw/zinc/45/23/78/428452378.db2.gz GWDDRAPWMQJBNM-HNAYVOBHSA-N 2 0 317.477 2.945 20 0 DFADRP c1ccc(COc2cccc(C[NH2+]CC[C@H]3CCC[NH2+]3)c2)nc1 ZINC000414903552 428452643 /nfs/dbraw/zinc/45/26/43/428452643.db2.gz JYAXUYOEFYDMHG-QGZVFWFLSA-N 2 0 311.429 2.892 20 0 DFADRP CC1(C[NH2+]Cc2ccc(OC[C@H]3CCCO3)cc2)CC[NH2+]CC1 ZINC000414907426 428453040 /nfs/dbraw/zinc/45/30/40/428453040.db2.gz QMIGTNMZGFJHBZ-GOSISDBHSA-N 2 0 318.461 2.724 20 0 DFADRP C[C@H]([NH3+])C1CC[NH+](Cc2c(C3CC3)nc3sccn23)CC1 ZINC000347115851 428453371 /nfs/dbraw/zinc/45/33/71/428453371.db2.gz UFLCOGITAKJLTR-NSHDSACASA-N 2 0 304.463 2.832 20 0 DFADRP C[C@H]([NH3+])C1CC[NH+](Cc2cnc(-c3ccncc3)s2)CC1 ZINC000347117761 428454526 /nfs/dbraw/zinc/45/45/26/428454526.db2.gz UWCJUMNCGDHKKD-LBPRGKRZSA-N 2 0 302.447 2.764 20 0 DFADRP Cc1ccc(NC(=O)C[C@@H](C)[NH2+]C[C@@]2(C)CCC[NH2+]C2)c(C)c1 ZINC000414920512 428456229 /nfs/dbraw/zinc/45/62/29/428456229.db2.gz ZOKXWMXFSKIXNV-APWZRJJASA-N 2 0 317.477 3.000 20 0 DFADRP Cc1ccc(N2CCC[N@H+](CCC[NH+]3CCCC3)CC2)cc1 ZINC000372536828 428456922 /nfs/dbraw/zinc/45/69/22/428456922.db2.gz PCWMRJALDONUID-UHFFFAOYSA-N 2 0 301.478 2.993 20 0 DFADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)[C@@H]1CC12CCCCC2 ZINC000357257928 428457468 /nfs/dbraw/zinc/45/74/68/428457468.db2.gz UDHBAQBKNMADMK-KRWDZBQOSA-N 2 0 323.525 2.689 20 0 DFADRP C[C@@H]1[NH2+]CCC[C@@H]1C(=O)Nc1ccc(C[NH+]2CCCC2)cc1 ZINC000384238722 428457598 /nfs/dbraw/zinc/45/75/98/428457598.db2.gz ILHFJIVWOWJWQH-YOEHRIQHSA-N 2 0 301.434 2.609 20 0 DFADRP Cc1cccc(NC(=O)C[C@@H](C)[NH2+]C[C@@]2(C)CCC[NH2+]C2)c1C ZINC000414919145 428458027 /nfs/dbraw/zinc/45/80/27/428458027.db2.gz WGYXADVMBZCIPD-BEFAXECRSA-N 2 0 317.477 3.000 20 0 DFADRP Cc1ccc([C@H]([NH2+]CC2(O)CC[NH+](C)CC2)C2CCCC2)o1 ZINC000342802505 428459808 /nfs/dbraw/zinc/45/98/08/428459808.db2.gz NFHZMUMCUJISIC-QGZVFWFLSA-N 2 0 306.450 2.866 20 0 DFADRP CCc1ccccc1NC(=O)C[C@H](C)[NH2+][C@H]1CC[NH2+]C[C@@H]1C ZINC000414936871 428462740 /nfs/dbraw/zinc/46/27/40/428462740.db2.gz HCCMGRFALIIINR-DZKIICNBSA-N 2 0 303.450 2.554 20 0 DFADRP C[C@@H]([NH2+]CCCC[NH+]1CCOCC1)C1CCC(F)(F)CC1 ZINC000353276458 428463686 /nfs/dbraw/zinc/46/36/86/428463686.db2.gz MHYOMGPPIRXEOF-CQSZACIVSA-N 2 0 304.425 2.902 20 0 DFADRP CCc1ccccc1NC(=O)C[C@H](C)[NH2+][C@@H]1CC[NH2+][C@H](C)C1 ZINC000414943671 428464353 /nfs/dbraw/zinc/46/43/53/428464353.db2.gz FRSSGRMOPALYAK-IJEWVQPXSA-N 2 0 303.450 2.696 20 0 DFADRP CCOc1cc(C[NH2+]C2(C)CC[NH2+]CC2)ccc1OC(F)F ZINC000414943177 428465859 /nfs/dbraw/zinc/46/58/59/428465859.db2.gz NMRRHECJLRNSSF-UHFFFAOYSA-N 2 0 314.376 2.918 20 0 DFADRP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+]1CC[C@@]2(C1)CCCOC2 ZINC000342844850 428469142 /nfs/dbraw/zinc/46/91/42/428469142.db2.gz VBCWDMDGAZJDRP-GOSISDBHSA-N 2 0 312.417 2.578 20 0 DFADRP CCCCOc1cc(C[NH2+][C@H]2CC[NH2+]C[C@@H]2C)ccc1OC ZINC000414952673 428469145 /nfs/dbraw/zinc/46/91/45/428469145.db2.gz IOMWCMVNVZIWEP-HOCLYGCPSA-N 2 0 306.450 2.962 20 0 DFADRP Cc1cccc(NC(=O)C[C@H](C)[NH2+][C@@H]2CC[NH2+][C@@H](C)C2)c1C ZINC000414950941 428469551 /nfs/dbraw/zinc/46/95/51/428469551.db2.gz PFNORRVOPSDFQZ-OFQRWUPVSA-N 2 0 303.450 2.751 20 0 DFADRP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]C1CCN(CCc2ccc(F)cc2)CC1 ZINC000414798536 428415058 /nfs/dbraw/zinc/41/50/58/428415058.db2.gz JKUVDTASYLXOCW-LPHOPBHVSA-N 2 0 319.468 2.550 20 0 DFADRP [NH3+]C[C@@H]1CCC[C@H]1[NH2+]Cc1cc(Cl)c2c(c1)OCCCO2 ZINC000414800133 428415559 /nfs/dbraw/zinc/41/55/59/428415559.db2.gz RVAHKBRZLIRYGM-GXTWGEPZSA-N 2 0 310.825 2.718 20 0 DFADRP Cc1ccc(NC(=O)C[C@H](C)[NH2+]C[C@H]([NH3+])C(C)C)cc1Cl ZINC000414802809 428416962 /nfs/dbraw/zinc/41/69/62/428416962.db2.gz VYLGVDYXHJGXAF-WFASDCNBSA-N 2 0 311.857 2.938 20 0 DFADRP COc1ccc(CC[C@H](C)[NH2+][C@@H]2CCCC[C@@H]2C[NH3+])cc1O ZINC000414806443 428417787 /nfs/dbraw/zinc/41/77/87/428417787.db2.gz QHQGDRKHSCXGNS-NUEKZKHPSA-N 2 0 306.450 2.829 20 0 DFADRP C[C@H](CC(=O)Nc1ccc(F)cc1)[NH2+][C@@H]1CCCC[C@@H]1C[NH3+] ZINC000414811014 428418475 /nfs/dbraw/zinc/41/84/75/428418475.db2.gz VWBVDZRMEVPQIT-XJKCOSOUSA-N 2 0 307.413 2.650 20 0 DFADRP CC(C)n1ncc2cc(C[N@@H+]3CCC[C@@H]([C@H](C)[NH3+])C3)cnc21 ZINC000347037852 428418836 /nfs/dbraw/zinc/41/88/36/428418836.db2.gz FZTKGPDDKVXUNC-DZGCQCFKSA-N 2 0 301.438 2.571 20 0 DFADRP COc1cc(C[NH2+][C@@H]2CCCC[C@@H]2C[NH3+])cc(Cl)c1OC ZINC000414811802 428419138 /nfs/dbraw/zinc/41/91/38/428419138.db2.gz WOPTVYZGLFPXFK-TZMCWYRMSA-N 2 0 312.841 2.964 20 0 DFADRP Cc1cc(-n2ccnc2)ccc1CN1CC[S@](=O)[C@@H](C)[C@H]1C ZINC000360735205 428419139 /nfs/dbraw/zinc/41/91/39/428419139.db2.gz GPVHFDXIFPWLMO-GTQRCTGISA-N 2 0 317.458 2.522 20 0 DFADRP CCCC[C@@H](C[NH3+])NCc1ccc(OCc2noc(C)n2)cc1 ZINC000414816560 428422940 /nfs/dbraw/zinc/42/29/40/428422940.db2.gz QANQSBSHYZCMDK-HNNXBMFYSA-N 2 0 318.421 2.564 20 0 DFADRP C[C@H](CC(=O)Nc1cccc(Cl)c1)[NH2+]C[C@@H]1CCC[NH2+]C1 ZINC000414826814 428424374 /nfs/dbraw/zinc/42/43/74/428424374.db2.gz JREYPKDOFAMBPT-CHWSQXEVSA-N 2 0 309.841 2.646 20 0 DFADRP CCOc1cccc(C[NH2+]CC[C@@H]2CC[NH2+]C2)c1OC(F)F ZINC000414827769 428425719 /nfs/dbraw/zinc/42/57/19/428425719.db2.gz HTGLHNWDXMHXGT-LBPRGKRZSA-N 2 0 314.376 2.776 20 0 DFADRP Cc1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)c(-c2ccnn2C)c1 ZINC000414834623 428426233 /nfs/dbraw/zinc/42/62/33/428426233.db2.gz SXJZCKNMIKXVTN-SJPCQFCGSA-N 2 0 310.445 2.768 20 0 DFADRP CC[NH2+]CCNC1CCN(Cc2c(F)cccc2Cl)CC1 ZINC000414834987 428426301 /nfs/dbraw/zinc/42/63/01/428426301.db2.gz ULJHXILHAROSAN-UHFFFAOYSA-N 2 0 313.848 2.643 20 0 DFADRP C[NH2+]C[C@H](C)C[NH2+][C@H](C)Cc1ccc(Br)cc1F ZINC000414831580 428427223 /nfs/dbraw/zinc/42/72/23/428427223.db2.gz DDYCXGOCLUWXOC-WDEREUQCSA-N 2 0 317.246 2.964 20 0 DFADRP CCOc1cc(C[NH2+]C[C@H]2CCC[NH2+]C2)ccc1OC(F)F ZINC000414833166 428428358 /nfs/dbraw/zinc/42/83/58/428428358.db2.gz RCTBFBBSZLDFMT-ZDUSSCGKSA-N 2 0 314.376 2.776 20 0 DFADRP Cc1ccc(NC(=O)C[C@H](C)[NH2+]C[C@@H]2CCC[NH2+]C2)c(Cl)c1 ZINC000414837002 428430498 /nfs/dbraw/zinc/43/04/98/428430498.db2.gz VHWIMURDDCHURF-UONOGXRCSA-N 2 0 323.868 2.955 20 0 DFADRP C[C@H](c1ccccc1)N1CC[C@H]([NH2+]CCC[C@@H]2CCC[NH2+]2)C1 ZINC000414981469 428479483 /nfs/dbraw/zinc/47/94/83/428479483.db2.gz XPUXVPTVKFSUSI-NEWSRXKRSA-N 3 0 301.478 2.944 20 0 DFADRP CCOc1c(OC)cc(C[NH2+]CCC[C@H]2CCC[NH2+]2)cc1OC ZINC000414980968 428479886 /nfs/dbraw/zinc/47/98/86/428479886.db2.gz XNAWGIFGVKTPSQ-HNNXBMFYSA-N 2 0 322.449 2.724 20 0 DFADRP COc1cccc(NC(=O)C[C@@H](C)[NH2+]CCC[C@@H]2CCC[NH2+]2)c1 ZINC000414980427 428480044 /nfs/dbraw/zinc/48/00/44/428480044.db2.gz WUTVVRYXBWCLSK-HUUCEWRRSA-N 2 0 319.449 2.534 20 0 DFADRP CCOc1c(OC)cc(C[NH2+]C[C@H]2CCC[C@H]([NH3+])C2)cc1OC ZINC000414996584 428482324 /nfs/dbraw/zinc/48/23/24/428482324.db2.gz OQNFAQFQHNABBK-ZFWWWQNUSA-N 2 0 322.449 2.710 20 0 DFADRP [NH3+][C@H]1CCC[C@@H](C[NH2+]Cc2cc(Cl)c3c(c2)OCCO3)C1 ZINC000414990683 428482813 /nfs/dbraw/zinc/48/28/13/428482813.db2.gz IXTSZRIAXAZKOU-YPMHNXCESA-N 2 0 310.825 2.718 20 0 DFADRP Cn1c2ccc(Cl)cc2nc1C[NH2+]C[C@H]1CCC[C@H]([NH3+])C1 ZINC000414994872 428483094 /nfs/dbraw/zinc/48/30/94/428483094.db2.gz DXSCVJVTESRERD-AAEUAGOBSA-N 2 0 306.841 2.834 20 0 DFADRP C[C@@H](O)C[N@H+](C)C1CC[NH+](C[C@H](C)Cc2ccccc2)CC1 ZINC000360897337 428483821 /nfs/dbraw/zinc/48/38/21/428483821.db2.gz MAYSDQYRWKIVCX-IAGOWNOFSA-N 2 0 304.478 2.642 20 0 DFADRP COC(=O)c1ccc(Cl)c(C[NH2+]C[C@@H]2CCC[C@@H]([NH3+])C2)c1 ZINC000414999948 428486370 /nfs/dbraw/zinc/48/63/70/428486370.db2.gz JQJIKOBCKZHVHY-BXUZGUMPSA-N 2 0 310.825 2.734 20 0 DFADRP CC(C)(CCC[NH3+])[NH2+]Cc1cccc(O)c1Br ZINC000415008211 428488296 /nfs/dbraw/zinc/48/82/96/428488296.db2.gz CXLUFVBKLSTZHJ-UHFFFAOYSA-N 2 0 301.228 2.762 20 0 DFADRP c1nc(-c2ccncc2)sc1C[NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000415012402 428489179 /nfs/dbraw/zinc/48/91/79/428489179.db2.gz SOHZNQWPTYWDHB-JKSUJKDBSA-N 2 0 314.458 2.683 20 0 DFADRP C[C@H](CCC[NH3+])[NH2+]Cc1cn(C)nc1-c1ccccc1Cl ZINC000415023201 428490194 /nfs/dbraw/zinc/49/01/94/428490194.db2.gz MKOMZINFIKHGOU-GFCCVEGCSA-N 2 0 306.841 2.958 20 0 DFADRP Cc1ccc(-c2n[nH]cc2C[NH2+]C[C@H]2CC[C@H](C[NH3+])CC2)o1 ZINC000415018431 428490808 /nfs/dbraw/zinc/49/08/08/428490808.db2.gz BVZKQWAUVXVONN-HDJSIYSDSA-N 2 0 302.422 2.833 20 0 DFADRP Cc1nn(-c2ccc(F)cc2F)c(C)c1C[NH2+][C@H](C)CCC[NH3+] ZINC000415018608 428491666 /nfs/dbraw/zinc/49/16/66/428491666.db2.gz HESHUXIAYNGMNB-LLVKDONJSA-N 2 0 322.403 2.984 20 0 DFADRP COc1ccc(OC(F)F)c(C[NH2+][C@@H]2CC[C@@H](C[NH3+])C2)c1 ZINC000415029161 428492689 /nfs/dbraw/zinc/49/26/89/428492689.db2.gz DJRCUDLUIOSVIU-ZYHUDNBSSA-N 2 0 300.349 2.514 20 0 DFADRP CC(C)C[C@H]([NH2+][C@@H](C)c1ccccc1F)C(=O)NCC[NH+](C)C ZINC000347204952 428493827 /nfs/dbraw/zinc/49/38/27/428493827.db2.gz QHRCBQIUSOABDD-YOEHRIQHSA-N 2 0 323.456 2.569 20 0 DFADRP COc1ccc(OC(F)F)c(C[NH2+][C@@H]2CC[C@H](C[NH3+])C2)c1 ZINC000415029157 428494172 /nfs/dbraw/zinc/49/41/72/428494172.db2.gz DJRCUDLUIOSVIU-CMPLNLGQSA-N 2 0 300.349 2.514 20 0 DFADRP Cc1cccc([C@@H](C)[NH2+][C@@H](CC(C)C)C(=O)NCC[NH+](C)C)c1 ZINC000347215043 428495002 /nfs/dbraw/zinc/49/50/02/428495002.db2.gz XZGSVVSNUNCRET-AEFFLSMTSA-N 2 0 319.493 2.738 20 0 DFADRP Cc1ccc(NC(=O)C[C@H](C)[NH2+][C@@H]2CC[C@@H](C[NH3+])C2)c(C)c1 ZINC000415039307 428495020 /nfs/dbraw/zinc/49/50/20/428495020.db2.gz NVWCIQMWYPXHKG-ARFHVFGLSA-N 2 0 303.450 2.738 20 0 DFADRP [NH3+]C[C@@H]1CC[C@@H]([NH2+]Cc2csc(COc3ccccc3)n2)C1 ZINC000415036863 428495837 /nfs/dbraw/zinc/49/58/37/428495837.db2.gz LSUZDARCAHROLE-ZIAGYGMSSA-N 2 0 317.458 2.939 20 0 DFADRP C[N@H+](Cc1ccccc1)CC(C)(C)C[NH2+][C@@H]1CC[C@@H](C[NH3+])C1 ZINC000415045961 428497695 /nfs/dbraw/zinc/49/76/95/428497695.db2.gz URSOSPNTVWTUSR-QZTJIDSGSA-N 3 0 303.494 2.862 20 0 DFADRP CC[C@H]([NH2+]CCC[N@@H+]1CCCC[C@H]1C)C1(C(=O)OC)CCC1 ZINC000353357607 428499567 /nfs/dbraw/zinc/49/95/67/428499567.db2.gz WJKGRJTUDLZRBE-CVEARBPZSA-N 2 0 310.482 2.962 20 0 DFADRP C[N@H+](Cc1ccc(C(C)(C)C)cc1)C1CCN(CCO)CC1 ZINC000353359861 428500098 /nfs/dbraw/zinc/50/00/98/428500098.db2.gz DICVKKLPGVKNHY-UHFFFAOYSA-N 2 0 304.478 2.873 20 0 DFADRP Cc1nn(-c2ccc(F)cc2)c(C)c1C[NH2+][C@H]1CC[C@H](C[NH3+])C1 ZINC000415051736 428501119 /nfs/dbraw/zinc/50/11/19/428501119.db2.gz ZOZVJJATUKYUNJ-HOCLYGCPSA-N 2 0 316.424 2.845 20 0 DFADRP Cc1ccc(C[N@H+]2C[C@@H](C)[C@](C)(C[NH3+])C2)c(-c2ccnn2C)c1 ZINC000415053499 428501280 /nfs/dbraw/zinc/50/12/80/428501280.db2.gz KCHWTBBOFXXQGQ-DNVCBOLYSA-N 2 0 312.461 2.812 20 0 DFADRP C[C@@H]1[NH2+]CCC[C@@H]1NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000396679617 428502071 /nfs/dbraw/zinc/50/20/71/428502071.db2.gz VJZJOCVVAYUGNQ-VNVJMFPYSA-N 2 0 313.489 2.912 20 0 DFADRP CC(C)C[C@@H]([NH2+][C@H](C)C1CCCCC1)C(=O)NCC[NH+](C)C ZINC000347231838 428503445 /nfs/dbraw/zinc/50/34/45/428503445.db2.gz PMLGJLAJXWRUOF-NVXWUHKLSA-N 2 0 311.514 2.637 20 0 DFADRP [NH3+]C[C@H]1CCC[N@H+](Cc2ccccc2OCC(F)(F)F)C1 ZINC000347234648 428505869 /nfs/dbraw/zinc/50/58/69/428505869.db2.gz ZUCUTBLGOXJRQB-GFCCVEGCSA-N 2 0 302.340 2.798 20 0 DFADRP C[C@H](c1ccccc1)[N@@H+]1CC[C@H](N2C[C@@H](C)[C@](C)(C[NH3+])C2)C1 ZINC000415059740 428506890 /nfs/dbraw/zinc/50/68/90/428506890.db2.gz YTKKBIKJGJTYNE-ZAWLATJESA-N 2 0 301.478 2.739 20 0 DFADRP C[C@@H]1C[C@@H](NC(=O)[C@H]2CCCC[NH+]2C2CCCC2)C[N@@H+]1C1CC1 ZINC000372967060 428507133 /nfs/dbraw/zinc/50/71/33/428507133.db2.gz SWWJDLFHQYTAHK-IIDMSEBBSA-N 2 0 319.493 2.525 20 0 DFADRP CCN1C[C@H](C)[C@H]([NH2+]Cc2ccc(C[NH+](CC)CC)cc2)C1 ZINC000343034654 428507104 /nfs/dbraw/zinc/50/71/04/428507104.db2.gz OUTDXVXAGZKRDH-QFBILLFUSA-N 2 0 303.494 2.958 20 0 DFADRP Clc1ccc(C[NH2+]C2CCC([NH+]3CCNCC3)CC2)cc1 ZINC000415061965 428507819 /nfs/dbraw/zinc/50/78/19/428507819.db2.gz ZMRQHMGRLCRXRS-UHFFFAOYSA-N 2 0 307.869 2.646 20 0 DFADRP COC(=O)CCCN1CCC([NH2+][C@@H]2CCCC(F)(F)C2)CC1 ZINC000360954898 428508090 /nfs/dbraw/zinc/50/80/90/428508090.db2.gz PBBQIBRSEPNCOQ-CQSZACIVSA-N 2 0 318.408 2.572 20 0 DFADRP COc1ccc(OCC[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)cc1 ZINC000415075761 428508341 /nfs/dbraw/zinc/50/83/41/428508341.db2.gz ACBJQKPFHNCIRD-RCCFBDPRSA-N 2 0 304.434 2.584 20 0 DFADRP C[C@H](c1ccncc1)N1CCC([NH2+]C[C@H]2CC[NH2+][C@H](C)C2)CC1 ZINC000415075514 428510162 /nfs/dbraw/zinc/51/01/62/428510162.db2.gz BPYKTLGZZUNTMJ-ZACQAIPSSA-N 2 0 316.493 2.585 20 0 DFADRP CC[C@H](C[N@@H+]1C[C@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1)OC ZINC000397498222 428511208 /nfs/dbraw/zinc/51/12/08/428511208.db2.gz DDZXDJOECFOJPN-CEXWTWQISA-N 2 0 302.462 2.865 20 0 DFADRP CCc1nn(C)c(CC)c1C[NH2+][C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000415078556 428512329 /nfs/dbraw/zinc/51/23/29/428512329.db2.gz GODLZUGTSRUWEI-IAOVAPTHSA-N 2 0 304.482 2.555 20 0 DFADRP CC[C@H](C[N@@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C1)OC ZINC000397498225 428512808 /nfs/dbraw/zinc/51/28/08/428512808.db2.gz DDZXDJOECFOJPN-IPMKNSEASA-N 2 0 302.462 2.865 20 0 DFADRP CCc1nn(C)c(CC)c1C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000415078562 428513227 /nfs/dbraw/zinc/51/32/27/428513227.db2.gz GODLZUGTSRUWEI-XOKHGSTOSA-N 2 0 304.482 2.555 20 0 DFADRP COc1ccc(CCC[NH2+]C[C@@H]2CC[NH2+][C@H](C)C2)cc1OC ZINC000415077788 428513925 /nfs/dbraw/zinc/51/39/25/428513925.db2.gz FLHWSISRPJAAHY-GDBMZVCRSA-N 2 0 306.450 2.614 20 0 DFADRP C[C@H]([NH2+]CCCC[N@@H+]1CCCC[C@H]1C)C(C)(C)n1cncn1 ZINC000353388410 428514374 /nfs/dbraw/zinc/51/43/74/428514374.db2.gz PTFCLYGLOMMULH-CVEARBPZSA-N 2 0 307.486 2.646 20 0 DFADRP C[C@H](C[C@H]1CCC[NH2+]1)[NH2+]CCc1nccn1Cc1ccccc1 ZINC000415085589 428514731 /nfs/dbraw/zinc/51/47/31/428514731.db2.gz QWGRYOUQSZTCPX-SJLPKXTDSA-N 2 0 312.461 2.594 20 0 DFADRP CC(=O)Nc1cccc(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)c1 ZINC000415084975 428515085 /nfs/dbraw/zinc/51/50/85/428515085.db2.gz PJRAWODWGCBETD-FGTMMUONSA-N 2 0 301.434 2.655 20 0 DFADRP c1cc(N2CCCCCC2)ncc1C[NH2+]CC1CC[NH2+]CC1 ZINC000415084570 428515237 /nfs/dbraw/zinc/51/52/37/428515237.db2.gz OUVKSDKZDDHJNG-UHFFFAOYSA-N 2 0 302.466 2.551 20 0 DFADRP C[C@H]([NH2+]C1CC[NH2+]CC1)[C@@H](OC1CCOCC1)c1ccccc1 ZINC000415087822 428515706 /nfs/dbraw/zinc/51/57/06/428515706.db2.gz VASUIDILOVZOHE-HNAYVOBHSA-N 2 0 318.461 2.653 20 0 DFADRP C[C@]1(CN[C@H]2CCC[C@@H]2C[NH3+])CCC[N@@H+]1Cc1ccccc1 ZINC000397981229 428515796 /nfs/dbraw/zinc/51/57/96/428515796.db2.gz GYORKLLJHDOBDB-CEXWTWQISA-N 2 0 301.478 2.758 20 0 DFADRP C[C@@]1(C[NH2+]CCc2ccccc2OC(F)(F)F)CC[NH2+]C1 ZINC000415089324 428516335 /nfs/dbraw/zinc/51/63/35/428516335.db2.gz WFCQHXRUDSPZMO-AWEZNQCLSA-N 2 0 302.340 2.717 20 0 DFADRP COc1ccc(C(C)(C)C[NH2+]C[C@H]([NH3+])CC(C)C)cc1OC ZINC000415085216 428516434 /nfs/dbraw/zinc/51/64/34/428516434.db2.gz SCIPZQRGKUAPQN-OAHLLOKOSA-N 2 0 308.466 2.944 20 0 DFADRP Brc1ccccc1C1(C[NH2+]C2CC[NH2+]CC2)CC1 ZINC000415089724 428516596 /nfs/dbraw/zinc/51/65/96/428516596.db2.gz WPKRGENQBNNXRB-UHFFFAOYSA-N 2 0 309.251 2.822 20 0 DFADRP C[C@H](N[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1)[C@H]1CCCC[NH2+]1 ZINC000398026307 428517715 /nfs/dbraw/zinc/51/77/15/428517715.db2.gz MBFOMZVZAUHZIA-UKBAYJJMSA-N 2 0 301.478 2.770 20 0 DFADRP Cc1ccc(C)c(C[NH+]2CCN(C[C@H]3CCCC[N@H+]3C)CC2)c1 ZINC000353390189 428517967 /nfs/dbraw/zinc/51/79/67/428517967.db2.gz YTJKGWZWPCAWSA-HXUWFJFHSA-N 2 0 315.505 2.905 20 0 DFADRP Cc1ccc(F)cc1C[NH+]1CCC([C@@H]2OCCC[C@H]2[NH3+])CC1 ZINC000415100557 428519427 /nfs/dbraw/zinc/51/94/27/428519427.db2.gz APNVTUUADNJSPC-MSOLQXFVSA-N 2 0 306.425 2.852 20 0 DFADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC[C@@H]1CCCC[NH2+]1 ZINC000398038575 428519854 /nfs/dbraw/zinc/51/98/54/428519854.db2.gz QXPBLXHUBOQLRB-NEWSRXKRSA-N 2 0 301.478 2.629 20 0 DFADRP CC[NH+]1CCN(c2cccc(N[C@@H](C)C[C@@H]3CCC[NH2+]3)c2)CC1 ZINC000415101841 428522071 /nfs/dbraw/zinc/52/20/71/428522071.db2.gz IJGPZNXGFNNEFW-IRXDYDNUSA-N 2 0 316.493 2.771 20 0 DFADRP CC[C@H](C)C[NH2+]Cc1ccccc1CN1CC[NH+](CC)CC1 ZINC000357417075 428523493 /nfs/dbraw/zinc/52/34/93/428523493.db2.gz NQRBXFDUZHJBGS-KRWDZBQOSA-N 2 0 303.494 2.960 20 0 DFADRP [NH3+][C@@H]1CN(Cc2cccc3c2NCC3)C[C@H]1c1ccccc1F ZINC000415114146 428523616 /nfs/dbraw/zinc/52/36/16/428523616.db2.gz CORZLUSCLVAESD-FUHWJXTLSA-N 2 0 311.404 2.720 20 0 DFADRP [NH3+][C@H]1CCO[C@H](C2CC[NH+](Cc3cc(F)ccc3F)CC2)C1 ZINC000415117886 428526326 /nfs/dbraw/zinc/52/63/26/428526326.db2.gz CMPMSZIWQHGNAH-RDJZCZTQSA-N 2 0 310.388 2.683 20 0 DFADRP Clc1ccc(C[N@@H+]2CC3(CC[NH2+]CC3)[C@@H]3COC[C@@H]32)cc1 ZINC000415123169 428528369 /nfs/dbraw/zinc/52/83/69/428528369.db2.gz AFDBKCUMJGHVAK-CVEARBPZSA-N 2 0 306.837 2.540 20 0 DFADRP c1cc(CCC[NH+]2CCC(OCC[NH+]3CCCC3)CC2)ccn1 ZINC000347283691 428528872 /nfs/dbraw/zinc/52/88/72/428528872.db2.gz KRHJKAHMRISWHW-UHFFFAOYSA-N 2 0 317.477 2.591 20 0 DFADRP COc1ccc(C[NH+]2CCC([C@H]3C[C@@H]([NH3+])CCO3)CC2)cc1F ZINC000415124678 428529636 /nfs/dbraw/zinc/52/96/36/428529636.db2.gz NAGMIUACZLRRRD-MAUKXSAKSA-N 2 0 322.424 2.553 20 0 DFADRP COC[C@]1(C[NH2+][C@@H]2CC[C@@H](Cc3ccccc3)C2)CCC[NH2+]1 ZINC000414958214 428471984 /nfs/dbraw/zinc/47/19/84/428471984.db2.gz RCVCGLAZOSYRIT-IPMKNSEASA-N 2 0 302.462 2.756 20 0 DFADRP C[C@H](NC[C@@H]1CCC[N@@H+]1Cc1ccccc1)[C@@H]1CCCC[NH2+]1 ZINC000390551563 428472512 /nfs/dbraw/zinc/47/25/12/428472512.db2.gz CQNYNUHPGGPHCA-WDSOQIARSA-N 2 0 301.478 2.771 20 0 DFADRP c1nn(Cc2ccccc2)cc1C[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000390411839 428474871 /nfs/dbraw/zinc/47/48/71/428474871.db2.gz FHBMHVHUKISCKV-SLFFLAALSA-N 2 0 324.472 2.942 20 0 DFADRP COc1ccc(C[C@H](C)C[NH2+][C@H]2CC[NH2+]CC2(C)C)cc1F ZINC000414974586 428477250 /nfs/dbraw/zinc/47/72/50/428477250.db2.gz NRZBYBZUIOCPDG-GUYCJALGSA-N 2 0 308.441 2.991 20 0 DFADRP CC(C)n1ncc2cc(C[NH2+]CCC[C@H]3CCC[NH2+]3)cnc21 ZINC000414972078 428477359 /nfs/dbraw/zinc/47/73/59/428477359.db2.gz LWOQDWWZPNLJCI-INIZCTEOSA-N 2 0 301.438 2.634 20 0 DFADRP COCC1(C[NH2+][C@H](C)CCc2ccccc2F)CC[NH2+]CC1 ZINC000414973085 428477743 /nfs/dbraw/zinc/47/77/43/428477743.db2.gz KVCCDHFNZMDQKN-OAHLLOKOSA-N 2 0 308.441 2.753 20 0 DFADRP COc1cc2c(c(C[NH2+]CCC[C@@H]3CCC[NH2+]3)c1)O[C@@H](C)C2 ZINC000414976364 428479121 /nfs/dbraw/zinc/47/91/21/428479121.db2.gz PRCYMJQPRUOOTJ-XJKSGUPXSA-N 2 0 304.434 2.640 20 0 DFADRP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]CCCc1nc2c(s1)CCCC2 ZINC000361021596 428530789 /nfs/dbraw/zinc/53/07/89/428530789.db2.gz BENSAZOIPJEOJZ-ZIAGYGMSSA-N 2 0 307.507 2.884 20 0 DFADRP CC[C@H](C(=O)N[C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1)[NH+](CC)CC ZINC000358123532 428583601 /nfs/dbraw/zinc/58/36/01/428583601.db2.gz MVWIQEPVDJLRFK-XYJFISCASA-N 2 0 323.525 2.876 20 0 DFADRP CN(CCC[N@H+](C)C[C@H](O)CC1CCCC1)Cc1ccco1 ZINC000353543981 428584760 /nfs/dbraw/zinc/58/47/60/428584760.db2.gz ORKGHUKLLJOFLF-QGZVFWFLSA-N 2 0 308.466 2.975 20 0 DFADRP [NH3+][C@H]1CCCO[C@H]1C1CC[NH+](Cc2ccc(F)c(F)c2)CC1 ZINC000415129383 428532254 /nfs/dbraw/zinc/53/22/54/428532254.db2.gz PIIDBFYJZZWUDT-IRXDYDNUSA-N 2 0 310.388 2.683 20 0 DFADRP CC[NH+](CC)CCC[NH2+][C@H](C)c1ccccc1-n1ccnn1 ZINC000353434049 428533082 /nfs/dbraw/zinc/53/30/82/428533082.db2.gz ISSBSHBHOJRAGH-OAHLLOKOSA-N 2 0 301.438 2.650 20 0 DFADRP Cc1ccc(C[N@H+]2CC[C@H](C)[C@H](C[NH3+])C2)c(-c2ccnn2C)c1 ZINC000415133408 428533093 /nfs/dbraw/zinc/53/30/93/428533093.db2.gz VFLCKXGGIRCFSR-DOTOQJQBSA-N 2 0 312.461 2.812 20 0 DFADRP [NH3+]Cc1cn([C@@H]2CCC[N@H+](Cc3cccc4ccccc43)C2)nn1 ZINC000415130691 428533281 /nfs/dbraw/zinc/53/32/81/428533281.db2.gz RKDUWHYYOCVETM-GOSISDBHSA-N 2 0 321.428 2.727 20 0 DFADRP Cc1cc(C[N@@H+]2CC3(CC[NH2+]CC3)[C@@H]3COC[C@@H]32)c(C)s1 ZINC000415136881 428533921 /nfs/dbraw/zinc/53/39/21/428533921.db2.gz IAZQGDDCHJDKMN-CVEARBPZSA-N 2 0 306.475 2.565 20 0 DFADRP C[N@@H+]1CC[C@H]([NH2+][C@@H]2CCN(Cc3ccccc3)C2)[C@@H]2CCC[C@H]21 ZINC000353432877 428534243 /nfs/dbraw/zinc/53/42/43/428534243.db2.gz DAUUGWIXTHOOLE-FUMNGEBKSA-N 2 0 313.489 2.723 20 0 DFADRP C[C@@H]1CC[C@H](N[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)C[NH2+]1 ZINC000399060380 428534897 /nfs/dbraw/zinc/53/48/97/428534897.db2.gz LKNDLILOMVFGQQ-RWQQGDIJSA-N 2 0 301.478 2.770 20 0 DFADRP C[N@@H+]1CC[C@H]([NH2+]CCc2ccc(-n3cccn3)cc2)[C@H]2CCC[C@@H]21 ZINC000353451485 428543067 /nfs/dbraw/zinc/54/30/67/428543067.db2.gz ABCJDMAOUYANOF-AABGKKOBSA-N 2 0 324.472 2.877 20 0 DFADRP C[C@H](NC[C@@H]1CCCC[N@@H+]1Cc1ccccc1)[C@@H]1CCC[NH2+]1 ZINC000400327729 428543334 /nfs/dbraw/zinc/54/33/34/428543334.db2.gz CTKXVWOWMXOVQS-WDSOQIARSA-N 2 0 301.478 2.771 20 0 DFADRP CO[C@H](C[N@H+]1C[C@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1)C1CC1 ZINC000400156955 428543644 /nfs/dbraw/zinc/54/36/44/428543644.db2.gz FARAHDGFQSSZAQ-VAMGGRTRSA-N 2 0 314.473 2.865 20 0 DFADRP C[C@H](NC[C@H]1CCCC[N@@H+]1Cc1ccccc1)[C@H]1CCC[NH2+]1 ZINC000400327724 428544089 /nfs/dbraw/zinc/54/40/89/428544089.db2.gz CTKXVWOWMXOVQS-QXAKKESOSA-N 2 0 301.478 2.771 20 0 DFADRP CCO[C@@H]1C[C@H]([NH2+]C2CC[NH+]([C@@H]3CCCC[C@@H]3C)CC2)[C@@H]1OC ZINC000361170252 428544231 /nfs/dbraw/zinc/54/42/31/428544231.db2.gz YCUADSVLDPLHBY-NLNMYJFZSA-N 2 0 324.509 2.812 20 0 DFADRP C[C@H]([NH2+]CCc1ccc(Br)s1)[C@H]1CC[NH2+]C1 ZINC000400360520 428544232 /nfs/dbraw/zinc/54/42/32/428544232.db2.gz NLNRRQUURLLENQ-UWVGGRQHSA-N 2 0 303.269 2.641 20 0 DFADRP C[C@H](NC[C@@]1(C)CCC[N@@H+]1Cc1ccccc1)[C@@H]1CC[NH2+]C1 ZINC000400442859 428545283 /nfs/dbraw/zinc/54/52/83/428545283.db2.gz ORTZYHYOGOKLQT-QXAKKESOSA-N 2 0 301.478 2.629 20 0 DFADRP C[C@H](NC[C@]1(C)CCC[N@@H+]1Cc1ccccc1)[C@@H]1CC[NH2+]C1 ZINC000400442861 428545784 /nfs/dbraw/zinc/54/57/84/428545784.db2.gz ORTZYHYOGOKLQT-UHOSZYNNSA-N 2 0 301.478 2.629 20 0 DFADRP C[C@H](NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1)[C@@H]1CCC[NH2+]1 ZINC000400734279 428547830 /nfs/dbraw/zinc/54/78/30/428547830.db2.gz RIJBNGPKBJETCR-WDSOQIARSA-N 2 0 301.478 2.629 20 0 DFADRP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)NCc1ccc(C[NH+](CC)CC)cc1 ZINC000353462066 428549429 /nfs/dbraw/zinc/54/94/29/428549429.db2.gz BUTDHUIABIOXBU-ROUUACIJSA-N 2 0 317.477 2.533 20 0 DFADRP COCCOc1ccccc1C[NH2+]C1CCC([NH+](C)C)CC1 ZINC000353464719 428549645 /nfs/dbraw/zinc/54/96/45/428549645.db2.gz VGYROGJSLFGOEF-UHFFFAOYSA-N 2 0 306.450 2.674 20 0 DFADRP C[C@H](CC[NH+](C)C)[NH2+][C@H](C)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000400755856 428549607 /nfs/dbraw/zinc/54/96/07/428549607.db2.gz WZJVFMAYXJVSAQ-KFWWJZLASA-N 2 0 313.486 2.562 20 0 DFADRP C[C@H](C[NH2+]C[C@@H](O)C[NH+]1CCC(C)CC1)Cc1ccccc1 ZINC000347334634 428549986 /nfs/dbraw/zinc/54/99/86/428549986.db2.gz RNICMNQDROLGJS-PKOBYXMFSA-N 2 0 304.478 2.548 20 0 DFADRP COCCOc1ccccc1C[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@H]21 ZINC000353465824 428550114 /nfs/dbraw/zinc/55/01/14/428550114.db2.gz ZLDCRVUWTKJLMC-RCCFBDPRSA-N 2 0 318.461 2.674 20 0 DFADRP c1ccc([C@H](C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)N2CCCC2)cc1 ZINC000401003930 428550339 /nfs/dbraw/zinc/55/03/39/428550339.db2.gz CQFWAFUVICLBIQ-WTGUMLROSA-N 2 0 313.489 2.801 20 0 DFADRP C[N@H+](C[C@@H]1CCSC1)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000373330229 428550460 /nfs/dbraw/zinc/55/04/60/428550460.db2.gz CWOIZPOUZMKFRH-INIZCTEOSA-N 2 0 305.491 2.983 20 0 DFADRP C[C@H](CC[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1)[N@H+](C)Cc1ccccc1 ZINC000401004067 428551259 /nfs/dbraw/zinc/55/12/59/428551259.db2.gz ASJKKUQBLBUIDO-VBSBHUPXSA-N 2 0 315.505 2.875 20 0 DFADRP Brc1ccc(C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC000401059339 428551975 /nfs/dbraw/zinc/55/19/75/428551975.db2.gz WLDHZXCJJVGNCU-KCQAQPDRSA-N 2 0 309.251 2.927 20 0 DFADRP Brc1ccsc1C[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000401033256 428552042 /nfs/dbraw/zinc/55/20/42/428552042.db2.gz XWDYNFKOTALQDH-GARJFASQSA-N 2 0 315.280 2.988 20 0 DFADRP Brc1ccc(C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000401059331 428552076 /nfs/dbraw/zinc/55/20/76/428552076.db2.gz WLDHZXCJJVGNCU-GZBFAFLISA-N 2 0 309.251 2.927 20 0 DFADRP CCC[N@H+](CC)C[C@H](C)N[C@@H](c1ncc[nH]1)c1cccnc1 ZINC000353482838 428556080 /nfs/dbraw/zinc/55/60/80/428556080.db2.gz NISXXUPZNWNJDN-GOEBONIOSA-N 2 0 301.438 2.604 20 0 DFADRP CC(C)[N@H+](C)CCN[C@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000361328775 428557343 /nfs/dbraw/zinc/55/73/43/428557343.db2.gz QYKBXJYYPFGGOB-MJGOQNOKSA-N 2 0 303.494 2.969 20 0 DFADRP C[C@@H](Cc1ccccc1)C[NH+]1CCC(OCC[NH+](C)C)CC1 ZINC000347356477 428563832 /nfs/dbraw/zinc/56/38/32/428563832.db2.gz RDNUYSHLQRUVIS-KRWDZBQOSA-N 2 0 304.478 2.908 20 0 DFADRP COC(=O)C[C@@H]1CC[C@@H]([NH2+]C2CC[NH+](C3CCCC3)CC2)[C@H]1C ZINC000373391406 428564607 /nfs/dbraw/zinc/56/46/07/428564607.db2.gz VSJMTVFLLOTACO-RLFYNMQTSA-N 2 0 322.493 2.961 20 0 DFADRP C[C@H](NC(=O)C[N@H+]1[C@H](C)CC[C@@H]1C)[C@H](c1ccccc1)[NH+](C)C ZINC000353494690 428565461 /nfs/dbraw/zinc/56/54/61/428565461.db2.gz QGONJPNSAKLSKH-CYJAXWMASA-N 2 0 317.477 2.667 20 0 DFADRP C[C@@H]1CN(C(=O)CCCC[NH3+])[C@H](C)[C@H](C)[N@@H+]1Cc1ccccc1 ZINC000404314476 428566547 /nfs/dbraw/zinc/56/65/47/428566547.db2.gz NIDKIBFBUZFMOJ-IXDOHACOSA-N 2 0 317.477 2.625 20 0 DFADRP O=C(NC1CC([NH+]2CCCCC2)C1)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC000357857104 428566907 /nfs/dbraw/zinc/56/69/07/428566907.db2.gz LBGCJSFDQURGFK-VJFUWPCTSA-N 2 0 319.493 2.527 20 0 DFADRP CC(C)[C@H](CNC1CC[NH+](C)CC1)[N@@H+]1CCc2ccccc2C1 ZINC000358002567 428575430 /nfs/dbraw/zinc/57/54/30/428575430.db2.gz GRJOKCPBJWTKNQ-FQEVSTJZSA-N 2 0 315.505 2.753 20 0 DFADRP CCN1C[C@@H](C)[C@@H]([NH2+]CC(C)(C)N2CCc3ccccc3C2)C1 ZINC000358022726 428578094 /nfs/dbraw/zinc/57/80/94/428578094.db2.gz XLNULBMTJQDNHT-APWZRJJASA-N 2 0 315.505 2.753 20 0 DFADRP CSC[C@@H](O)C[N@H+](C)C1CC[NH+](C2CCC(C)CC2)CC1 ZINC000373600563 428615212 /nfs/dbraw/zinc/61/52/12/428615212.db2.gz DIULEACDIGPMRC-PREGVCBESA-N 2 0 314.539 2.685 20 0 DFADRP CC[NH2+]Cc1cccc(NC(=O)N[C@@H]2C[N@@H+](C(C)C)C[C@H]2C)c1 ZINC000415908492 428621580 /nfs/dbraw/zinc/62/15/80/428621580.db2.gz PQXDELFCXQDRMX-RHSMWYFYSA-N 2 0 318.465 2.646 20 0 DFADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@]2(C)OCCc3sccc32)[C@H](C)C1 ZINC000353608195 428621464 /nfs/dbraw/zinc/62/14/64/428621464.db2.gz HTUINUCRAFIOLQ-KMFMINBZSA-N 2 0 308.491 2.856 20 0 DFADRP CC[N@@H+]1CC[C@H](N(C)C(=O)Nc2ccccc2C[NH2+]C)C[C@@H]1C ZINC000415903588 428623099 /nfs/dbraw/zinc/62/30/99/428623099.db2.gz AHSSXDRBKQBNJK-HOCLYGCPSA-N 2 0 318.465 2.743 20 0 DFADRP C[NH2+]Cc1ccccc1NC(=O)NC[C@@H](C)[NH+]1CCC(C)CC1 ZINC000415905212 428623128 /nfs/dbraw/zinc/62/31/28/428623128.db2.gz TXTJZGJHRRZPLE-OAHLLOKOSA-N 2 0 318.465 2.648 20 0 DFADRP CC[N@@H+]1CC[C@H](N(C)C(=O)Nc2ccccc2C[NH2+]C)C[C@H]1C ZINC000415903589 428623288 /nfs/dbraw/zinc/62/32/88/428623288.db2.gz AHSSXDRBKQBNJK-ZBFHGGJFSA-N 2 0 318.465 2.743 20 0 DFADRP CCO[C@@H]1C[C@H]([NH2+][C@H]2CCc3nc[nH]c3C2)C12CCCCC2 ZINC000353615667 428623355 /nfs/dbraw/zinc/62/33/55/428623355.db2.gz ZFQZBQZSKGKKAA-RRQGHBQHSA-N 2 0 303.450 2.985 20 0 DFADRP C[NH2+]Cc1ccccc1NC(=O)NC[C@@H]1[N@H+](C)CCCC1(C)C ZINC000415917227 428626136 /nfs/dbraw/zinc/62/61/36/428626136.db2.gz CJOCKFREMNBATP-INIZCTEOSA-N 2 0 318.465 2.648 20 0 DFADRP CC[NH2+]Cc1ccccc1NC(=O)N1CC[NH+]([C@H](C)CC)CC1 ZINC000415928892 428628468 /nfs/dbraw/zinc/62/84/68/428628468.db2.gz GUPXREAZIUGPTA-OAHLLOKOSA-N 2 0 318.465 2.744 20 0 DFADRP CSC1(C[NH2+][C@@H](C)CC2CCOCC2)CC[NH+](C)CC1 ZINC000353626748 428629485 /nfs/dbraw/zinc/62/94/85/428629485.db2.gz UTMXMNURTREHGR-AWEZNQCLSA-N 2 0 300.512 2.609 20 0 DFADRP CC[NH2+]Cc1ccccc1NC(=O)N1CC[NH+]([C@@H](C)CC)CC1 ZINC000415928891 428629519 /nfs/dbraw/zinc/62/95/19/428629519.db2.gz GUPXREAZIUGPTA-HNNXBMFYSA-N 2 0 318.465 2.744 20 0 DFADRP C[NH2+]Cc1cccc(NC(=O)NC[C@@H](C)[N@@H+]2CCCC[C@@H]2C)c1 ZINC000415934605 428631350 /nfs/dbraw/zinc/63/13/50/428631350.db2.gz RPBBBKFKZPMEAZ-LSDHHAIUSA-N 2 0 318.465 2.790 20 0 DFADRP C[NH2+]Cc1cccc(NC(=O)N(CC[NH+](C)C)C2CCCC2)c1 ZINC000415939634 428632277 /nfs/dbraw/zinc/63/22/77/428632277.db2.gz CQLHOGWSTXBFGO-UHFFFAOYSA-N 2 0 318.465 2.744 20 0 DFADRP CC(C)c1nccc(NCC[N@H+](C)Cc2ccc(F)cc2)n1 ZINC000362131276 428632720 /nfs/dbraw/zinc/63/27/20/428632720.db2.gz XCHAAZFQCHFDSU-UHFFFAOYSA-N 2 0 302.397 3.283 20 0 DFADRP C[C@@H]([NH2+]C1CCC([NH+](C)C)CC1)c1ccc([S@](C)=O)cc1 ZINC000353645713 428636894 /nfs/dbraw/zinc/63/68/94/428636894.db2.gz PTHMXJNGCVYNMK-CJECXMJFSA-N 2 0 308.491 2.947 20 0 DFADRP CC1(C)CN(C2(C[NH2+]C[C@@H]3CCCOC3)CCCCC2)CCO1 ZINC000344410607 428637706 /nfs/dbraw/zinc/63/77/06/428637706.db2.gz QVSGPEBZXYFAQZ-KRWDZBQOSA-N 2 0 324.509 2.816 20 0 DFADRP CCC(CC)[C@@H](CNC(=O)Nc1ccc(C[NH3+])cc1)[NH+](C)C ZINC000415974961 428639457 /nfs/dbraw/zinc/63/94/57/428639457.db2.gz LNPLIWHMWZRTNV-MRXNPFEDSA-N 2 0 306.454 2.633 20 0 DFADRP C[NH2+]Cc1ccc(NC(=O)NCC(C)(C)[NH+]2CCCCC2)cc1 ZINC000415981308 428640356 /nfs/dbraw/zinc/64/03/56/428640356.db2.gz BPRZBJANTWFBSV-UHFFFAOYSA-N 2 0 318.465 2.792 20 0 DFADRP CC(C)C[N@@H+]1CCC[C@H](CNC(=O)Nc2ccc(C[NH3+])cc2)C1 ZINC000415974970 428640449 /nfs/dbraw/zinc/64/04/49/428640449.db2.gz LORBTHRNUHRGOW-MRXNPFEDSA-N 2 0 318.465 2.635 20 0 DFADRP [NH3+]Cc1ccc(NC(=O)NCCC[NH+]2CCCCCC2)cc1 ZINC000415956967 428635027 /nfs/dbraw/zinc/63/50/27/428635027.db2.gz LPMSEBUGOCNAQX-UHFFFAOYSA-N 2 0 304.438 2.533 20 0 DFADRP C[C@@H]1CC[C@@H](C[N@H+](C)CC2CCN(c3cc[nH+]cc3)CC2)O1 ZINC000373699293 428635858 /nfs/dbraw/zinc/63/58/58/428635858.db2.gz IBANVXDHUBJGFH-QAPCUYQASA-N 2 0 303.450 2.797 20 0 DFADRP CCCC[C@H]([NH3+])C(=O)NC[C@@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000353660668 428645424 /nfs/dbraw/zinc/64/54/24/428645424.db2.gz CSXGMJGKRKFJOK-OFQRWUPVSA-N 2 0 323.506 2.765 20 0 DFADRP COc1cccc2c1CC[C@@H]([NH2+]CC1(C)CC[NH+](C)CC1)C2 ZINC000277361387 274151888 /nfs/dbraw/zinc/15/18/88/274151888.db2.gz ZXDWNVYBQKUMHB-MRXNPFEDSA-N 2 0 302.462 2.874 20 0 DFADRP CC1CC[NH+](CCCNC(=O)Nc2ccc3c(c2)C[NH2+]C3)CC1 ZINC000416014823 428648422 /nfs/dbraw/zinc/64/84/22/428648422.db2.gz SPTZAONJIONJEK-UHFFFAOYSA-N 2 0 316.449 2.533 20 0 DFADRP CC1=C[C@@H](C)C[C@@H](C[NH2+]CC(=O)NCC[NH+]2CCCCCC2)C1 ZINC000353668726 428649838 /nfs/dbraw/zinc/64/98/38/428649838.db2.gz ABKCOUUBALTORF-SJLPKXTDSA-N 2 0 321.509 2.561 20 0 DFADRP C[N@H+](Cc1ccccc1)CC(C)(C)CN1C[C@@H]2[NH2+]CCC[C@H]2C1 ZINC000353673978 428652429 /nfs/dbraw/zinc/65/24/29/428652429.db2.gz QMMCEJWYGXXZIL-OALUTQOASA-N 2 0 315.505 2.828 20 0 DFADRP C[C@@H]([NH2+]C[C@H](O)c1ccccc1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185678174 274250279 /nfs/dbraw/zinc/25/02/79/274250279.db2.gz XZELOUXRFLMRIM-SUMDDJOVSA-N 2 0 302.462 2.963 20 0 DFADRP C[C@@H]([NH2+][C@@H](C)CN1CC[NH+](C)CC1)c1nccc2ccccc21 ZINC000289948886 274254896 /nfs/dbraw/zinc/25/48/96/274254896.db2.gz WLOBPTJZNQQEAJ-JKSUJKDBSA-N 2 0 312.461 2.521 20 0 DFADRP C(CC[N@@H+]1C[C@@H]2C[NH+]3CCCC[C@@H]3[C@@H]2C1)CC1CCOCC1 ZINC000374155068 428665591 /nfs/dbraw/zinc/66/55/91/428665591.db2.gz AASQGWCNUYWOPP-GUDVDZBRSA-N 2 0 306.494 2.999 20 0 DFADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]Cc1ccccc1-c1cnn(C)c1 ZINC000371429741 274340116 /nfs/dbraw/zinc/34/01/16/274340116.db2.gz GUVMATOHMMMWRI-CLCXKQKWSA-N 2 0 312.461 2.905 20 0 DFADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+][C@@H]1CCN(c2ccc(F)cc2F)C1 ZINC000155440969 274340616 /nfs/dbraw/zinc/34/06/16/274340616.db2.gz CDKWBHNNKGYBNK-GKLJAUDBSA-N 2 0 323.431 2.862 20 0 DFADRP C[C@@H]1CCC[C@H]([NH+]2CCC([NH2+][C@@H]3CCc4c[nH]nc4C3)CC2)C1 ZINC000358774969 428669367 /nfs/dbraw/zinc/66/93/67/428669367.db2.gz OEAHSGFGNKTALJ-OLMNPRSZSA-N 2 0 316.493 2.900 20 0 DFADRP CO[C@]1(C)CCC[NH+](C/C=C\C[N@H+]2CCC[C@@](C)(OC)C2)C1 ZINC000348235609 428671109 /nfs/dbraw/zinc/67/11/09/428671109.db2.gz MDCGKDCUNDDIEV-OSFIAYCASA-N 2 0 310.482 2.544 20 0 DFADRP C[NH+]1CCC2(CCC[N@@H+]2Cc2cccc3c2OCCO3)CC1 ZINC000374322435 428674545 /nfs/dbraw/zinc/67/45/45/428674545.db2.gz CZCBUZGVVKAJIS-UHFFFAOYSA-N 2 0 302.418 2.518 20 0 DFADRP C[NH+](C)[C@@H](CC(=O)NCCC1CC[NH+](C)CC1)c1ccccc1 ZINC000416147147 428675305 /nfs/dbraw/zinc/67/53/05/428675305.db2.gz QZIOHONNLJSVOX-SFHVURJKSA-N 2 0 317.477 2.528 20 0 DFADRP CC(C)CSCC[NH2+][C@@H]1CC[N@H+](C[C@H]2CCCO2)C[C@H]1C ZINC000362310685 428697942 /nfs/dbraw/zinc/69/79/42/428697942.db2.gz UZYVQXQOFKXYFN-BRWVUGGUSA-N 2 0 314.539 2.855 20 0 DFADRP C[C@@H]1C[C@H](N(C)Cc2cnc([C@@H]3CCCO3)s2)CC[N@@H+]1C ZINC000353756579 428698483 /nfs/dbraw/zinc/69/84/83/428698483.db2.gz WDZXKVSIAGZQRH-NFAWXSAZSA-N 2 0 309.479 2.909 20 0 DFADRP C[C@@H]1CC[C@H](C[NH+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@@H]3C2)O1 ZINC000348333166 428711044 /nfs/dbraw/zinc/71/10/44/428711044.db2.gz XLLJBQWCMWDWCC-NXWXRZEISA-N 2 0 300.446 2.618 20 0 DFADRP CCc1cccc(Cl)c1C[NH2+]CC1CC[NH+](CCO)CC1 ZINC000353782893 428712926 /nfs/dbraw/zinc/71/29/26/428712926.db2.gz WBGZDJARMIPCRR-UHFFFAOYSA-N 2 0 310.869 2.696 20 0 DFADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)CC1=CCCCC1 ZINC000358869526 428713626 /nfs/dbraw/zinc/71/36/26/428713626.db2.gz FLELOKYJTZEQQP-GOSISDBHSA-N 2 0 321.509 2.751 20 0 DFADRP Cc1cc(C[N@@H+]2CCN(C3CC[NH+](C)CC3)[C@H](C)C2)c(C)s1 ZINC000374626512 428716423 /nfs/dbraw/zinc/71/64/23/428716423.db2.gz VVRHAUIKNAIZAJ-CQSZACIVSA-N 2 0 321.534 2.965 20 0 DFADRP CCn1cc(CC[NH2+][C@@H]2CCCC[C@@H]2C[NH+](CC)CC)cn1 ZINC000348359996 428718248 /nfs/dbraw/zinc/71/82/48/428718248.db2.gz BKYFQQRDTBJNIJ-QZTJIDSGSA-N 2 0 306.498 2.936 20 0 DFADRP CCn1cc(CC[NH2+][C@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)cn1 ZINC000348376065 428724952 /nfs/dbraw/zinc/72/49/52/428724952.db2.gz IYCRZYZPQBZYMN-WBVHZDCISA-N 2 0 304.482 2.688 20 0 DFADRP CCn1cc(CC[NH2+][C@@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)cn1 ZINC000348376064 428726283 /nfs/dbraw/zinc/72/62/83/428726283.db2.gz IYCRZYZPQBZYMN-RDJZCZTQSA-N 2 0 304.482 2.688 20 0 DFADRP CC[C@@H]1CC[C@@H]1[NH2+]Cc1ccccc1C[N@@H+]1CCC[C@H]1CO ZINC000348385936 428729257 /nfs/dbraw/zinc/72/92/57/428729257.db2.gz WWVDWFRIFPKNHE-MNEFBYGVSA-N 2 0 302.462 2.922 20 0 DFADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]C[C@H]2CCCSC2)[C@@H](C)C1 ZINC000348249786 428677395 /nfs/dbraw/zinc/67/73/95/428677395.db2.gz ZGWFPMMFJLOEFA-BBWFWOEESA-N 2 0 314.539 2.856 20 0 DFADRP C[C@@H](NC(=O)C[C@@H](c1ccccc1)[NH+](C)C)C(C)(C)C[NH+](C)C ZINC000416155760 428679460 /nfs/dbraw/zinc/67/94/60/428679460.db2.gz NEQDETWHYCWCMW-WBVHZDCISA-N 2 0 319.493 2.772 20 0 DFADRP CCC[N@H+](CC)CCNC(=O)C[C@H](c1ccccc1)[NH+](C)C ZINC000416171583 428680141 /nfs/dbraw/zinc/68/01/41/428680141.db2.gz RBPJNSMPFLZXJP-QGZVFWFLSA-N 2 0 305.466 2.528 20 0 DFADRP C[C@H]([NH2+][C@H]1CCO[C@@H]1C1CC1)c1ccc(OCC[NH+](C)C)cc1 ZINC000374497747 428686740 /nfs/dbraw/zinc/68/67/40/428686740.db2.gz RUFATZVCNMPUNC-ZOCIIQOWSA-N 2 0 318.461 2.845 20 0 DFADRP C[NH+](C)[C@@H](CC(=O)N1CCC[C@@H]([NH+](C)C)CC1)c1ccccc1 ZINC000416225786 428692324 /nfs/dbraw/zinc/69/23/24/428692324.db2.gz TXXROCRBBMSLJL-MSOLQXFVSA-N 2 0 317.477 2.622 20 0 DFADRP C[C@@H]1C[C@@H]([NH2+]Cc2c[nH]nc2-c2c(F)cccc2F)CC[N@@H+]1C ZINC000344685275 428694669 /nfs/dbraw/zinc/69/46/69/428694669.db2.gz QGGCLRZYEBOFNK-YPMHNXCESA-N 2 0 320.387 2.927 20 0 DFADRP C[C@H](C(=O)N[C@H](C[NH+](C)C)c1ccccc1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000411185932 428753623 /nfs/dbraw/zinc/75/36/23/428753623.db2.gz OLBBKNCWSYEFGF-KYHPRHEASA-N 2 0 317.477 2.667 20 0 DFADRP COC(=O)[C@H]1CC[N@H+](Cc2cccc(C[NH+]3CCCCC3)c2)C1 ZINC000411175588 428754219 /nfs/dbraw/zinc/75/42/19/428754219.db2.gz DKIJYJOIHGPELL-SFHVURJKSA-N 2 0 316.445 2.667 20 0 DFADRP CC[N@@H+]1CC[C@H](N(C)Cc2ccc(C(=O)OC)c(F)c2)C[C@@H]1C ZINC000362481484 428762538 /nfs/dbraw/zinc/76/25/38/428762538.db2.gz XDRBIKNWGSHPGV-ZFWWWQNUSA-N 2 0 322.424 2.917 20 0 DFADRP CC(CC[NH+]1[C@H](C)COC[C@@H]1C)CC[N@H+]1[C@H](C)COC[C@@H]1C ZINC000411279760 428769854 /nfs/dbraw/zinc/76/98/54/428769854.db2.gz CPOQESGOWCNVNE-USTZCAOPSA-N 2 0 312.498 2.621 20 0 DFADRP C[N@@H+]1CCCC[C@H]1CCC(=O)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000353899970 428770040 /nfs/dbraw/zinc/77/00/40/428770040.db2.gz IJNCDKYYLJNEKG-ZWKOTPCHSA-N 2 0 321.509 2.728 20 0 DFADRP C[C@H](C[NH2+][C@H]1CC(C)(C)c2ccccc21)CN1CC[NH+](C)CC1 ZINC000178691265 274491320 /nfs/dbraw/zinc/49/13/20/274491320.db2.gz FYVROCAAIODWNP-APWZRJJASA-N 2 0 315.505 2.882 20 0 DFADRP C[N@H+]1CC=C(C[NH2+]Cc2ccc(OC[C@@H]3CCCO3)cc2)CC1 ZINC000345145055 428770957 /nfs/dbraw/zinc/77/09/57/428770957.db2.gz RTOOZVOUKRXDCF-IBGZPJMESA-N 2 0 316.445 2.596 20 0 DFADRP Cc1nn2c(C[NH2+]CC3=CC[N@H+](C)CC3)c(C(C)C)nc2s1 ZINC000345145813 428772382 /nfs/dbraw/zinc/77/23/82/428772382.db2.gz RYUBRYWNHRFISB-UHFFFAOYSA-N 2 0 319.478 2.574 20 0 DFADRP OCC[C@H]1CC[N@H+](Cc2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC000411308997 428775601 /nfs/dbraw/zinc/77/56/01/428775601.db2.gz JAOQDGGPVCSDOL-LJQANCHMSA-N 2 0 302.462 2.877 20 0 DFADRP CC[NH+](CC)CCOCC[NH2+]Cc1cc(F)cc(Cl)c1 ZINC000362518806 428780892 /nfs/dbraw/zinc/78/08/92/428780892.db2.gz JQMNYYLSELVQBZ-UHFFFAOYSA-N 2 0 302.821 2.927 20 0 DFADRP COC(=O)C(C)(C)CC[NH2+]Cc1ccc(C[NH+]2CCCC2)cc1 ZINC000353935048 428785443 /nfs/dbraw/zinc/78/54/43/428785443.db2.gz UJFQMLVMIWCEEH-UHFFFAOYSA-N 2 0 318.461 2.961 20 0 DFADRP CCCCC[NH+]1CCN(Cc2c(C)nc3n2CCCC3)CC1 ZINC000374923569 428786039 /nfs/dbraw/zinc/78/60/39/428786039.db2.gz FFIZNWLBJZIZFL-UHFFFAOYSA-N 2 0 304.482 2.836 20 0 DFADRP C[C@H]([NH2+]C[C@@H](CO)C1CC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000353846282 428745417 /nfs/dbraw/zinc/74/54/17/428745417.db2.gz ABIMMCQKHKTMJJ-IPELMVKDSA-N 2 0 302.462 2.505 20 0 DFADRP CC[NH+](CC)[C@H](CNC(=O)[C@H]1CCCC[N@@H+]1CC)CC(C)C ZINC000353847288 428746912 /nfs/dbraw/zinc/74/69/12/428746912.db2.gz SZZFNUPSNBNJHF-DLBZAZTESA-N 2 0 311.514 2.734 20 0 DFADRP CCCCOC(=O)C[N@H+](C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000374774550 428749913 /nfs/dbraw/zinc/74/99/13/428749913.db2.gz AYZXBBATNNUTRF-UHFFFAOYSA-N 2 0 319.449 2.573 20 0 DFADRP CC[C@@H]1C[NH+](CCC(C)CC[N@@H+]2CCO[C@H](CC)C2)CCO1 ZINC000411162158 428750635 /nfs/dbraw/zinc/75/06/35/428750635.db2.gz GKKWYWYECUNNTF-QZTJIDSGSA-N 2 0 312.498 2.624 20 0 DFADRP CCn1nccc1CC[NH+]1CCC(C[NH+]2CCC(C)CC2)CC1 ZINC000374778281 428751209 /nfs/dbraw/zinc/75/12/09/428751209.db2.gz NBSWQAKLEAVSTR-UHFFFAOYSA-N 2 0 318.509 2.889 20 0 DFADRP COC(=O)[C@@H](C)C[N@H+](C)Cc1cccc(C[NH+]2CCCCC2)c1 ZINC000411169964 428752173 /nfs/dbraw/zinc/75/21/73/428752173.db2.gz FZLDIQMHVTWYTN-INIZCTEOSA-N 2 0 318.461 2.913 20 0 DFADRP C[C@@H](CC[NH+](C)[C@@H]1CCCOC1)CC[N@H+](C)[C@H]1CCCOC1 ZINC000411721209 428848298 /nfs/dbraw/zinc/84/82/98/428848298.db2.gz ROPNBVFIORANKI-BCDXTJNWSA-N 2 0 312.498 2.624 20 0 DFADRP CC[NH+](CC)CCO[C@H]1CC[N@H+](Cc2cnn(C(C)(C)C)c2)C1 ZINC000354078475 428850260 /nfs/dbraw/zinc/85/02/60/428850260.db2.gz SFPNAMJXGXCPBX-KRWDZBQOSA-N 2 0 322.497 2.571 20 0 DFADRP C[N@H+](CC1CC1)C[C@@H]1CCN(Cc2cccc3c2OCO3)C1 ZINC000354078755 428850589 /nfs/dbraw/zinc/85/05/89/428850589.db2.gz XZMKCVYPBJTLAA-HNNXBMFYSA-N 2 0 302.418 2.579 20 0 DFADRP C[C@@H]1CCCC[C@@H]1C[N@@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000374966709 428795026 /nfs/dbraw/zinc/79/50/26/428795026.db2.gz XLGXKYGJXFGLFU-FCGDIQPGSA-N 2 0 307.526 2.771 20 0 DFADRP CC(C)[C@@H](C(=O)N[C@@H]1CC[N@@H+](C2CCCC2)C1)[NH+]1CCCCC1 ZINC000359067286 428802766 /nfs/dbraw/zinc/80/27/66/428802766.db2.gz VWXKEDKWJWRWRT-AEFFLSMTSA-N 2 0 321.509 2.630 20 0 DFADRP O[C@@H]1CC[C@H]2C[N@H+](Cc3cccc(C[NH+]4CCCCC4)c3)C[C@@H]12 ZINC000411499587 428806101 /nfs/dbraw/zinc/80/61/01/428806101.db2.gz DERRIAIANLXDQK-XUVXKRRUSA-N 2 0 314.473 2.875 20 0 DFADRP CC[C@H]([NH2+]CC(=O)NC1CC[NH+](C(C)C)CC1)c1cccs1 ZINC000411514542 428807133 /nfs/dbraw/zinc/80/71/33/428807133.db2.gz RZQNMNLXSXRINZ-HNNXBMFYSA-N 2 0 323.506 2.778 20 0 DFADRP CCCCNC(=O)CC[NH2+][C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000411520631 428811819 /nfs/dbraw/zinc/81/18/19/428811819.db2.gz WJUAIHRATUICRI-HZPDHXFCSA-N 2 0 309.498 2.535 20 0 DFADRP Cc1cc(C)cc(C[NH+]2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)c1 ZINC000362940342 428817310 /nfs/dbraw/zinc/81/73/10/428817310.db2.gz DHIZIIAGOBKURY-LJQANCHMSA-N 2 0 301.478 2.515 20 0 DFADRP CC[NH+](CC)CC1CCN(C(=O)CC[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000354079992 428852940 /nfs/dbraw/zinc/85/29/40/428852940.db2.gz OAAFXMLJPSKLNN-SFHVURJKSA-N 2 0 323.525 2.831 20 0 DFADRP CC(=O)N1CCC([NH2+]C2CC[NH+]([C@H]3CCCC[C@H]3C)CC2)CC1 ZINC000359116728 428824602 /nfs/dbraw/zinc/82/46/02/428824602.db2.gz QRWDKFSYUNGOOF-BEFAXECRSA-N 2 0 321.509 2.630 20 0 DFADRP CC[NH+]1CCC(NC(=O)C[NH2+][C@@H]2CCC[C@@H]2CCC(C)C)CC1 ZINC000411607769 428825735 /nfs/dbraw/zinc/82/57/35/428825735.db2.gz KERZYBBYOCNQPA-SJLPKXTDSA-N 2 0 323.525 2.781 20 0 DFADRP C[N@H+](Cc1ccc(C[NH+]2CCCCC2)cc1)CC1(CO)CC1 ZINC000411619917 428825871 /nfs/dbraw/zinc/82/58/71/428825871.db2.gz WHOXRJDZYRXTLT-UHFFFAOYSA-N 2 0 302.462 2.877 20 0 DFADRP CC1(C)C[N@H+](Cc2ccc(C[NH+]3CCCCC3)cc2)C[C@@H]1O ZINC000411675633 428838026 /nfs/dbraw/zinc/83/80/26/428838026.db2.gz PELYZNJWPVKORP-SFHVURJKSA-N 2 0 302.462 2.875 20 0 DFADRP C[N@@H+]1CC[C@@H]2CN(Cc3ccc(C[NH+]4CCCCC4)cc3)C[C@@H]21 ZINC000411783217 428858254 /nfs/dbraw/zinc/85/82/54/428858254.db2.gz FNOOVYXLNHGCDX-UXHICEINSA-N 2 0 313.489 2.808 20 0 DFADRP CC(C)[NH+]1CCC(NC(=O)C[NH2+][C@]2(C)CCCC[C@@H]2C)CC1 ZINC000411813300 428863166 /nfs/dbraw/zinc/86/31/66/428863166.db2.gz DSCYLZZSDQMTSW-MAUKXSAKSA-N 2 0 309.498 2.534 20 0 DFADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+]C[C@@H]2C[C@H]2c2ccccc2)CC1 ZINC000417913189 428872816 /nfs/dbraw/zinc/87/28/16/428872816.db2.gz PQFHRYMPIXXRRN-IHPCNDPISA-N 2 0 315.505 2.653 20 0 DFADRP Cc1cc(CN(CCC[NH+](C)C)CCC[NH+](C)C)ccc1F ZINC000348918910 428874757 /nfs/dbraw/zinc/87/47/57/428874757.db2.gz DLXAVJUDFNFHEF-UHFFFAOYSA-N 2 0 309.473 2.840 20 0 DFADRP CCOC(=O)CC[NH2+]C[C@H]1CCC[N@H+](C)[C@@H]1c1ccccc1 ZINC000375471144 428895762 /nfs/dbraw/zinc/89/57/62/428895762.db2.gz PVQHAHJPILENAO-SJLPKXTDSA-N 2 0 304.434 2.612 20 0 DFADRP C[N@@H+]1CCC[C@H](C[NH2+][C@@H]2CCCC[C@@H]2O)[C@H]1c1ccccc1 ZINC000375482208 428897162 /nfs/dbraw/zinc/89/71/62/428897162.db2.gz MXSLVEJEOQJMOF-AKHDSKFASA-N 2 0 302.462 2.963 20 0 DFADRP C[N@H+](CCN1CCC[C@H]([NH+]2CCCC2)C1)Cc1ccc(F)cc1 ZINC000363299810 428901715 /nfs/dbraw/zinc/90/17/15/428901715.db2.gz UCZUJVNCAKWHII-IBGZPJMESA-N 2 0 319.468 2.818 20 0 DFADRP CC[NH+](CC)C[C@H]1CCCC[C@@H]1[NH2+]Cc1ccc(C(=O)OC)[nH]1 ZINC000359304121 428912333 /nfs/dbraw/zinc/91/23/33/428912333.db2.gz VMRHERMWOCNKQW-ZBFHGGJFSA-N 2 0 321.465 2.792 20 0 DFADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)Cc1cccc(F)c1 ZINC000349064568 428912490 /nfs/dbraw/zinc/91/24/90/428912490.db2.gz VLXVLFGSQWHCHM-GOSISDBHSA-N 2 0 307.457 2.674 20 0 DFADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NCCCC[NH+]1CCCC[C@@H]1C ZINC000349117043 428924253 /nfs/dbraw/zinc/92/42/53/428924253.db2.gz JDLCVQAQLZPDEG-DLBZAZTESA-N 2 0 309.498 2.632 20 0 DFADRP CC(C)(C)NC(=[NH2+])NCC1CC[NH+](CCc2ccccc2)CC1 ZINC000363484155 428925042 /nfs/dbraw/zinc/92/50/42/428925042.db2.gz SHGUCCNUYFYUNA-UHFFFAOYSA-N 2 0 316.493 2.854 20 0 DFADRP CCC[N@@H+]1CCC[C@H]1C(=O)NCc1cccc(C[NH+](C)CC)c1 ZINC000349147416 428929166 /nfs/dbraw/zinc/92/91/66/428929166.db2.gz XTLIIYIZCLGORM-SFHVURJKSA-N 2 0 317.477 2.629 20 0 DFADRP C[C@@H]1C[N@H+](CC[C@H]2CCCC[NH+]2C)C[C@H]1C(=O)OC(C)(C)C ZINC000412068861 428940131 /nfs/dbraw/zinc/94/01/31/428940131.db2.gz GGGAPUNVUHHACC-BZUAXINKSA-N 2 0 310.482 2.770 20 0 DFADRP Cc1nccn1CCC[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000363546380 428941027 /nfs/dbraw/zinc/94/10/27/428941027.db2.gz RAAIZTXJOLXOHD-UHFFFAOYSA-N 2 0 304.482 2.968 20 0 DFADRP C[C@@H](C(=O)N[C@H]1CC[N@H+](CC2CCCC2)C1)[NH+]1CCCCCC1 ZINC000345586294 428948837 /nfs/dbraw/zinc/94/88/37/428948837.db2.gz NZQJRLXMPKFLLC-WMZOPIPTSA-N 2 0 321.509 2.632 20 0 DFADRP CCOC(=O)[C@@H]1CC[C@H]([NH2+]CC2(C)CC[NH+](C)CC2)C[C@H]1C ZINC000359396031 428955032 /nfs/dbraw/zinc/95/50/32/428955032.db2.gz NGNLSMTZMICKDN-OWCLPIDISA-N 2 0 310.482 2.676 20 0 DFADRP Cc1cc(C[N@H+](C)CCCN2CC[NH+](C)CC2)ccc1Cl ZINC000349294896 428956670 /nfs/dbraw/zinc/95/66/70/428956670.db2.gz IVPVMVHRSOGVCY-UHFFFAOYSA-N 2 0 309.885 2.718 20 0 DFADRP C[NH2+]CCC1CC[NH+](CCCOc2ccc(OC)cc2)CC1 ZINC000354290284 428957290 /nfs/dbraw/zinc/95/72/90/428957290.db2.gz UFQLGUUIZSHEBZ-UHFFFAOYSA-N 2 0 306.450 2.786 20 0 DFADRP Cc1ccc(C[N@@H+]2CCN(C3CC[NH+](C)CC3)[C@H](C)C2)c(C)c1 ZINC000349296279 428957507 /nfs/dbraw/zinc/95/75/07/428957507.db2.gz LKXUQQOKAMDAKB-GOSISDBHSA-N 2 0 315.505 2.904 20 0 DFADRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+][C@@H](C)c1cc2c(s1)CCC2 ZINC000349344352 428966547 /nfs/dbraw/zinc/96/65/47/428966547.db2.gz SHISTPXAPCNWGH-CABCVRRESA-N 2 0 321.534 2.913 20 0 DFADRP COc1ccc(C[C@@H](C)[NH2+][C@H]2CCCC[NH2+]C2)c(C)c1OC ZINC000423545870 428968175 /nfs/dbraw/zinc/96/81/75/428968175.db2.gz DXCJSRHSUAPKHG-CJNGLKHVSA-N 2 0 306.450 2.675 20 0 DFADRP COc1ccc2c(c1)[C@H]([NH2+][C@@H]1CC[C@@H]3C[NH2+]C[C@H]3C1)CCCO2 ZINC000423544152 428968325 /nfs/dbraw/zinc/96/83/25/428968325.db2.gz ODNHMBYVUNOHTD-ATNYBXOESA-N 2 0 316.445 2.887 20 0 DFADRP Cn1cc([C@H]2[C@H](C[N@H+](C)CCC(F)(F)F)CCCN2C)cn1 ZINC000375780256 428969439 /nfs/dbraw/zinc/96/94/39/428969439.db2.gz OBGOUDAAIGUJCP-GXTWGEPZSA-N 2 0 318.387 2.687 20 0 DFADRP CN1CC[C@H]([NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)C[C@@H]1c1ccccc1 ZINC000423541631 428969755 /nfs/dbraw/zinc/96/97/55/428969755.db2.gz FRONWDPSSIJYCW-LTFPLMDUSA-N 2 0 313.489 2.800 20 0 DFADRP c1ccc([C@H]([NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)c2cncnc2)cc1 ZINC000423541401 428969791 /nfs/dbraw/zinc/96/97/91/428969791.db2.gz KUJPWXZSJDNPAK-ISARSNTHSA-N 2 0 308.429 2.544 20 0 DFADRP CC[N@H+](C)Cc1cccc(C[NH2+]CCC(C)(C)C(=O)OC)c1 ZINC000354328526 428970793 /nfs/dbraw/zinc/97/07/93/428970793.db2.gz JCOHFZBGMHNCMH-UHFFFAOYSA-N 2 0 306.450 2.817 20 0 DFADRP CC(C)[NH+]1CCN([C@@H]2CC[N@@H+]([C@@H](C)c3ccccc3)C2)CC1 ZINC000375907436 429015384 /nfs/dbraw/zinc/01/53/84/429015384.db2.gz SCOPGMGQAPYTHL-PKOBYXMFSA-N 2 0 301.478 2.848 20 0 DFADRP CC(C)(C)[C@H]([NH3+])C(=O)Nc1cccc(CC[NH+]2CCCC2)c1 ZINC000423778518 429015708 /nfs/dbraw/zinc/01/57/08/429015708.db2.gz TZRSFELBWMIQET-MRXNPFEDSA-N 2 0 303.450 2.637 20 0 DFADRP Cc1cc(C[NH+](C)C)cc(NC(=O)[C@@H]2Cc3ccccc3C[NH2+]2)c1 ZINC000423794083 429023211 /nfs/dbraw/zinc/02/32/11/429023211.db2.gz XPFRVYHHJSMYPA-IBGZPJMESA-N 2 0 323.440 2.710 20 0 DFADRP CC[NH+](CC)[C@H]1CCN(C(=O)C[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC000433372201 429027395 /nfs/dbraw/zinc/02/73/95/429027395.db2.gz DGIJRDCFPDFGQE-ROUUACIJSA-N 2 0 317.477 2.622 20 0 DFADRP CC[C@H]([NH2+]CC1(N)CC[NH+](Cc2ccccc2)CC1)C1CC1 ZINC000423578367 428973443 /nfs/dbraw/zinc/97/34/43/428973443.db2.gz UKHZBJFHYFXPEO-SFHVURJKSA-N 2 0 301.478 2.758 20 0 DFADRP C[C@@H]([NH2+]CC1(N)CC[NH+](Cc2ccccc2)CC1)C1(C)CC1 ZINC000423574238 428974111 /nfs/dbraw/zinc/97/41/11/428974111.db2.gz PCMQXPWHTVQUEY-MRXNPFEDSA-N 2 0 301.478 2.758 20 0 DFADRP NC1(C[NH2+][C@H]2CC[C@@H]2C2CC2)CC[NH+](Cc2ccccc2)CC1 ZINC000423577953 428976064 /nfs/dbraw/zinc/97/60/64/428976064.db2.gz TWMLFTJXQCORNA-MOPGFXCFSA-N 2 0 313.489 2.758 20 0 DFADRP C/C=C\C[C@H](CO)[NH2+][C@H](C)c1cccc(OCC[NH+](C)C)c1 ZINC000349384254 428979474 /nfs/dbraw/zinc/97/94/74/428979474.db2.gz WGVLVCPONYWKJS-BZOVTKSESA-N 2 0 306.450 2.605 20 0 DFADRP Cn1ncc(Cl)c1CN1CCC(CCCn2ccnc2)CC1 ZINC000349406064 428981058 /nfs/dbraw/zinc/98/10/58/428981058.db2.gz JRAOSQHHRMBOAG-UHFFFAOYSA-N 2 0 321.856 2.962 20 0 DFADRP CC[C@H]1CCCC[N@@H+]1CCNC(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC000354409431 428981525 /nfs/dbraw/zinc/98/15/25/428981525.db2.gz SLFLIVVDYIUAQE-ZWKOTPCHSA-N 2 0 323.525 2.878 20 0 DFADRP CC[C@H](C(=O)N1CCCC[C@@H]1CC[NH3+])[N@H+](C)Cc1ccccc1 ZINC000423644056 428987675 /nfs/dbraw/zinc/98/76/75/428987675.db2.gz ZEOQSGBDSDADNQ-QZTJIDSGSA-N 2 0 317.477 2.627 20 0 DFADRP OCC1(C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)CC(c2ccccc2)C1 ZINC000433085625 428992301 /nfs/dbraw/zinc/99/23/01/428992301.db2.gz WZCGYEUPSRNUCK-FUFFSDJGSA-N 2 0 314.473 2.759 20 0 DFADRP C[C@H]([NH2+]C[C@@H]1CCCn2ccnc21)c1ccccc1-n1ccnn1 ZINC000375841431 428993759 /nfs/dbraw/zinc/99/37/59/428993759.db2.gz SBLZTUQWLXGZFD-GJZGRUSLSA-N 2 0 322.416 2.692 20 0 DFADRP Cc1cccc(N2CCC([NH2+][C@@H]3C[C@H](C)[N@@H+](C)C[C@@H]3C)CC2)n1 ZINC000363791588 428994336 /nfs/dbraw/zinc/99/43/36/428994336.db2.gz TXPNALLYMJSDBD-QILLFSRXSA-N 3 0 316.493 2.677 20 0 DFADRP CC[NH+](CC)CCOc1ccc(NC(=O)[C@@H](C[NH3+])C(C)C)cc1 ZINC000433117199 428996492 /nfs/dbraw/zinc/99/64/92/428996492.db2.gz OBGLKFNISBNQLB-KRWDZBQOSA-N 2 0 321.465 2.577 20 0 DFADRP [NH3+]C1CC[NH+](CCCC(=O)NCCCCC2CCCC2)CC1 ZINC000433124998 428996970 /nfs/dbraw/zinc/99/69/70/428996970.db2.gz HMYDGJNYRSXVLX-UHFFFAOYSA-N 2 0 309.498 2.666 20 0 DFADRP CC[C@H](C(=O)NCCC[C@@H]1CCC[NH2+]1)[N@H+](C)Cc1ccccc1 ZINC000423696647 428996999 /nfs/dbraw/zinc/99/69/99/428996999.db2.gz IHQCRGTVSQPSRY-ZWKOTPCHSA-N 2 0 317.477 2.545 20 0 DFADRP CC[NH+](CC)CCOc1ccccc1NC(=O)[C@H](C[NH3+])C(C)C ZINC000433120528 428997160 /nfs/dbraw/zinc/99/71/60/428997160.db2.gz ZAOVRHSBGVNWGC-OAHLLOKOSA-N 2 0 321.465 2.577 20 0 DFADRP CC[C@@H](C(=O)N[C@@H](C)CCCC[NH3+])[N@H+](C)Cc1ccccc1 ZINC000423695038 428998184 /nfs/dbraw/zinc/99/81/84/428998184.db2.gz LBTSAWLCWOMHGN-RDJZCZTQSA-N 2 0 305.466 2.531 20 0 DFADRP C[C@@H](NC(=O)CCC[NH+]1CCC([NH3+])CC1)c1ccccc1Cl ZINC000433141640 428998228 /nfs/dbraw/zinc/99/82/28/428998228.db2.gz PTBZCSZJBSAVED-CYBMUJFWSA-N 2 0 323.868 2.721 20 0 DFADRP [NH3+]C1CC[NH+](CCCC(=O)N2CCC[C@@H]2c2ccsc2)CC1 ZINC000433155400 429001720 /nfs/dbraw/zinc/00/17/20/429001720.db2.gz XSWNEEFICIRLAG-MRXNPFEDSA-N 2 0 321.490 2.615 20 0 DFADRP CCC1CCC(N(C)C(=O)CCC[NH+]2CCC([NH3+])CC2)CC1 ZINC000433168414 429003305 /nfs/dbraw/zinc/00/33/05/429003305.db2.gz NCKQDHIXUSKFDV-UHFFFAOYSA-N 2 0 309.498 2.617 20 0 DFADRP CC(C)(C)[C@H]1CCCC[C@@H]1NC(=O)CCC[NH+]1CCC([NH3+])CC1 ZINC000433160071 429004611 /nfs/dbraw/zinc/00/46/11/429004611.db2.gz GHDOZYISNXGWMM-IRXDYDNUSA-N 2 0 323.525 2.911 20 0 DFADRP C[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCCN(C(=O)[C@H]2CCCC[C@]2(C)[NH3+])C1 ZINC000423720557 429005443 /nfs/dbraw/zinc/00/54/43/429005443.db2.gz ANSAIECZPMANHX-MUDKKEKZSA-N 2 0 321.509 2.758 20 0 DFADRP CC(C)[NH+]1CCN([C@@H]2CC[N@@H+]([C@@H](C)c3cccc(F)c3)C2)CC1 ZINC000375888012 429007811 /nfs/dbraw/zinc/00/78/11/429007811.db2.gz FJILGLKWHYLUJR-QFBILLFUSA-N 2 0 319.468 2.987 20 0 DFADRP C[N@@H+]1CC[C@H]([NH2+]CCc2cnn(-c3ccccc3)c2)[C@@H]2CCC[C@@H]21 ZINC000375888802 429008752 /nfs/dbraw/zinc/00/87/52/429008752.db2.gz MWDTWYXUTHOONR-UFYCRDLUSA-N 2 0 324.472 2.877 20 0 DFADRP CCc1ccc([C@H](O)C[NH2+][C@@H]2CC[N@H+](C)[C@@H]3CCC[C@@H]32)cc1 ZINC000375897129 429010412 /nfs/dbraw/zinc/01/04/12/429010412.db2.gz DJEKRPFJFNDABN-NCXUSEDFSA-N 2 0 302.462 2.745 20 0 DFADRP C[C@@H](CC(=O)N(C)CC[N@H+](C)C1CCCCC1)C1CC[NH2+]CC1 ZINC000423763487 429011522 /nfs/dbraw/zinc/01/15/22/429011522.db2.gz RPDLTSDYLGMRCP-INIZCTEOSA-N 2 0 323.525 2.735 20 0 DFADRP C[NH+](C)[C@H]1CCCN(C(=O)C(C)(C)[C@@H]([NH3+])c2ccccc2)CC1 ZINC000423774178 429014628 /nfs/dbraw/zinc/01/46/28/429014628.db2.gz KSVCYCXRWLMPCY-IRXDYDNUSA-N 2 0 317.477 2.655 20 0 DFADRP COC[C@]1(C[NH2+][C@@H](C)[C@@H](C)c2ccc(OC)cc2)CCC[NH2+]1 ZINC000423437917 429089801 /nfs/dbraw/zinc/08/98/01/429089801.db2.gz UONTVFBOUIWQKZ-RVKKMQEKSA-N 2 0 306.450 2.545 20 0 DFADRP C[C@H](CCC[NH3+])[NH2+][C@@H](C)c1ccc(-n2cncn2)cc1Cl ZINC000423458263 429090702 /nfs/dbraw/zinc/09/07/02/429090702.db2.gz PXCVBUYUHIXVPZ-NEPJUHHUSA-N 2 0 307.829 2.699 20 0 DFADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2cc(C)cc(N)c2)[C@@H](C)C1 ZINC000423473376 429092798 /nfs/dbraw/zinc/09/27/98/429092798.db2.gz HCDCIPPECLXVBS-QFBILLFUSA-N 2 0 319.493 2.804 20 0 DFADRP C[C@H]1CCC(C)(C)[N@@H+]1CC(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000452005806 429036975 /nfs/dbraw/zinc/03/69/75/429036975.db2.gz KMCCIQXJGXYZOH-DOTOQJQBSA-N 2 0 317.477 2.668 20 0 DFADRP C[C@H]([NH2+]CC(=O)NC1CC[NH+](C2CC2)CC1)[C@@H]1CCC[C@@H](C)C1 ZINC000452066649 429045924 /nfs/dbraw/zinc/04/59/24/429045924.db2.gz LLFLQHVGPRMYCB-OWCLPIDISA-N 2 0 321.509 2.534 20 0 DFADRP CCOC(=O)c1oc2c(c1C)[C@H]([NH2+][C@@H]1CCC[C@@H]1C[NH3+])CCC2 ZINC000423279198 429055845 /nfs/dbraw/zinc/05/58/45/429055845.db2.gz RRNKQEPKMZBYHI-MGPQQGTHSA-N 2 0 320.433 2.859 20 0 DFADRP CCCC[C@H](C[NH3+])N[C@@H](C)c1ccc(CCNC(C)=O)cc1 ZINC000423294423 429058195 /nfs/dbraw/zinc/05/81/95/429058195.db2.gz BVLJMEPSRLIBJH-KBXCAEBGSA-N 2 0 305.466 2.533 20 0 DFADRP CC(C)C[NH+]1CCC(NC(=O)c2ccc([C@H](C)[NH3+])cc2)CC1 ZINC000423305806 429059317 /nfs/dbraw/zinc/05/93/17/429059317.db2.gz RQVPFDSTDHMUMV-AWEZNQCLSA-N 2 0 303.450 2.557 20 0 DFADRP C[C@H](C[NH3+])CN[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H]2CCC[C@H]21 ZINC000423310607 429060736 /nfs/dbraw/zinc/06/07/36/429060736.db2.gz SBVHDTIWHZXPRN-QXCFHYIPSA-N 3 0 301.478 2.614 20 0 DFADRP C[N@H+](Cc1ccccc1)C1CCC([NH2+]CC2([NH3+])CCC2)CC1 ZINC000423316498 429063179 /nfs/dbraw/zinc/06/31/79/429063179.db2.gz BSOXOAABKNBIDH-UHFFFAOYSA-N 3 0 301.478 2.901 20 0 DFADRP [NH3+][C@H](CN[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H]2CCC[C@H]21)C1CC1 ZINC000423315599 429063747 /nfs/dbraw/zinc/06/37/47/429063747.db2.gz JDPAHFLMIHQEAV-MTQWCTHYSA-N 2 0 313.489 2.757 20 0 DFADRP COc1cc([C@H](C)[NH2+]CC2=CC[NH2+]CC2)ccc1OC(F)F ZINC000423328781 429064462 /nfs/dbraw/zinc/06/44/62/429064462.db2.gz AUPQSYYUIGZDJE-NSHDSACASA-N 2 0 312.360 2.867 20 0 DFADRP [NH3+]CCCC[NH2+][C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000423327498 429064479 /nfs/dbraw/zinc/06/44/79/429064479.db2.gz NFYXWJPOBKKSJG-IPMKNSEASA-N 3 0 301.478 2.616 20 0 DFADRP [NH3+]C1(C[NH2+][C@@H]2CCc3cc(Br)ccc3C2)CCC1 ZINC000423324532 429064864 /nfs/dbraw/zinc/06/48/64/429064864.db2.gz KKDSASSFBDEHPK-CQSZACIVSA-N 2 0 309.251 2.777 20 0 DFADRP C[C@H]1CCC[N@H+](CCNC(=O)C(C)(C)[C@@H]([NH3+])c2ccccc2)C1 ZINC000423328276 429065198 /nfs/dbraw/zinc/06/51/98/429065198.db2.gz LXWVVJSWZSQQQB-RDJZCZTQSA-N 2 0 317.477 2.561 20 0 DFADRP CC(C)[N@H+](C)Cc1ccccc1CNC(=O)[C@H]1C[C@@H](C)CC[NH2+]1 ZINC000423325505 429065874 /nfs/dbraw/zinc/06/58/74/429065874.db2.gz IVCUVIVIZPUKQS-MAUKXSAKSA-N 2 0 317.477 2.531 20 0 DFADRP [NH3+]CC1(CC(=O)Nc2cccc(C[NH+]3CCCCC3)c2)CC1 ZINC000423330325 429065985 /nfs/dbraw/zinc/06/59/85/429065985.db2.gz NOYHIRAKMRXDCM-UHFFFAOYSA-N 2 0 301.434 2.740 20 0 DFADRP COc1cc([C@@H](C)[NH2+]CC2=CC[NH2+]CC2)ccc1OC(F)F ZINC000423328777 429066115 /nfs/dbraw/zinc/06/61/15/429066115.db2.gz AUPQSYYUIGZDJE-LLVKDONJSA-N 2 0 312.360 2.867 20 0 DFADRP CC[N@@H+]1CC[C@H](CNC(=O)CC[C@H]([NH3+])CC2CCCCC2)C1 ZINC000424132929 429097075 /nfs/dbraw/zinc/09/70/75/429097075.db2.gz LHOSIQXGDQRPEM-SJORKVTESA-N 2 0 309.498 2.522 20 0 DFADRP CN1CC[C@@H]([NH2+]CC2(C)CC[NH2+]CC2)C[C@@H]1c1ccccc1 ZINC000423335333 429066857 /nfs/dbraw/zinc/06/68/57/429066857.db2.gz RQPHWFOSTOSWHQ-QZTJIDSGSA-N 2 0 301.478 2.801 20 0 DFADRP CC[N@H+](Cc1ccc(C(=O)N[C@H](C[NH3+])C(C)(C)C)cc1)C1CC1 ZINC000423966565 429067145 /nfs/dbraw/zinc/06/71/45/429067145.db2.gz ZNMFQTJYTYZFAY-QGZVFWFLSA-N 2 0 317.477 2.774 20 0 DFADRP C[C@H](CNC(=O)[C@H]([NH3+])CC1CCCCC1)[N@@H+]1CCCC[C@H]1C ZINC000423332771 429067378 /nfs/dbraw/zinc/06/73/78/429067378.db2.gz PKELQWFWOLQJEN-BFYDXBDKSA-N 2 0 309.498 2.663 20 0 DFADRP Cc1nn(C)c2sc([C@H](C)[NH2+]C[C@@]3(C)CCC[NH2+]C3)cc12 ZINC000423332808 429067641 /nfs/dbraw/zinc/06/76/41/429067641.db2.gz HHTXKWOOLKEFRD-LRDDRELGSA-N 2 0 306.479 2.984 20 0 DFADRP C[C@H]([NH3+])c1ccc(C(=O)NC[C@H](C)[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000423335069 429067960 /nfs/dbraw/zinc/06/79/60/429067960.db2.gz TXRUFKSOQUDGII-KKUMJFAQSA-N 2 0 303.450 2.699 20 0 DFADRP COc1cc(OC)c([C@H](C)[NH2+]CC2=CC[NH2+]CC2)cc1Cl ZINC000423346378 429069525 /nfs/dbraw/zinc/06/95/25/429069525.db2.gz OUYPDYOJNKPHQJ-NSHDSACASA-N 2 0 310.825 2.928 20 0 DFADRP CC[C@H](C(=O)Nc1nc(C2CC[NH2+]CC2)cs1)[NH+](CC)CC ZINC000423979234 429070647 /nfs/dbraw/zinc/07/06/47/429070647.db2.gz OVAKEFKZNQDXFA-CQSZACIVSA-N 2 0 324.494 2.669 20 0 DFADRP [NH3+][C@@H](CCC(=O)N1CC[NH+](CC2CC2)CC1)CC1CCCCC1 ZINC000424132986 429097234 /nfs/dbraw/zinc/09/72/34/429097234.db2.gz LORYBDWDHUIXLN-SFHVURJKSA-N 2 0 321.509 2.619 20 0 DFADRP C[C@H]([NH2+][C@H]1CCC[C@H]([NH3+])C1)c1cccc(OCC[NH+](C)C)c1 ZINC000423366044 429073917 /nfs/dbraw/zinc/07/39/17/429073917.db2.gz BLRJTYMPTOIQNF-XIRDDKMYSA-N 3 0 305.466 2.548 20 0 DFADRP CC[N@@H+]1CCCC[C@@H]1CNC(=O)C(C)(C)[C@H]([NH3+])c1ccccc1 ZINC000423364237 429074230 /nfs/dbraw/zinc/07/42/30/429074230.db2.gz AXLNUHTWPPSQEM-IAGOWNOFSA-N 2 0 317.477 2.703 20 0 DFADRP CC[N@@H+]1CCCC[C@H]1CNC(=O)C(C)(C)[C@H]([NH3+])c1ccccc1 ZINC000423364235 429074501 /nfs/dbraw/zinc/07/45/01/429074501.db2.gz AXLNUHTWPPSQEM-DLBZAZTESA-N 2 0 317.477 2.703 20 0 DFADRP c1ccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@H](NCC[C@H]2CCC[NH2+]2)C3)cc1 ZINC000423368575 429074677 /nfs/dbraw/zinc/07/46/77/429074677.db2.gz SBFAVDBMTBZXLR-WTGUMLROSA-N 2 0 313.489 2.914 20 0 DFADRP COCCc1nc(C)c([C@H](C)[NH2+]CCC[C@@H]2CCC[NH2+]2)s1 ZINC000423484873 429097367 /nfs/dbraw/zinc/09/73/67/429097367.db2.gz REXUMZSKOQECDI-GXTWGEPZSA-N 2 0 311.495 2.823 20 0 DFADRP CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@@H]2CC[NH2+]C[C@H]2C)c2ccccc21 ZINC000423389321 429079050 /nfs/dbraw/zinc/07/90/50/429079050.db2.gz JICJAWDFCRBSLR-PILAGYSTSA-N 2 0 316.445 2.756 20 0 DFADRP C[C@@H]1C[NH2+]CC[C@@H]1[NH2+][C@H]1CCCOc2cc3c(cc21)CCC3 ZINC000423385731 429079097 /nfs/dbraw/zinc/07/90/97/429079097.db2.gz GYZCOBTVPUXXMB-BVGQSLNGSA-N 2 0 300.446 2.977 20 0 DFADRP COCC1(C[NH2+][C@@H](C)c2cc(C)ccc2OC)CC[NH2+]CC1 ZINC000423398699 429080937 /nfs/dbraw/zinc/08/09/37/429080937.db2.gz UDJQOVNIMIORMT-HNNXBMFYSA-N 2 0 306.450 2.670 20 0 DFADRP COCC1(C[NH2+][C@@H]2CCCOc3ccccc32)CC[NH2+]CC1 ZINC000423405942 429081059 /nfs/dbraw/zinc/08/10/59/429081059.db2.gz JWMPYVULEPVBTD-MRXNPFEDSA-N 2 0 304.434 2.506 20 0 DFADRP C[C@H]([NH2+][C@H]1CC[NH2+]C[C@@H]1C)c1ccc(NC(=O)NC2CC2)cc1 ZINC000423408082 429081309 /nfs/dbraw/zinc/08/13/09/429081309.db2.gz WVJIKNMSKRKSMY-DCGLDWPTSA-N 2 0 316.449 2.619 20 0 DFADRP C[NH2+][C@H](C)CN[C@@H]1CCCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000423404941 429082138 /nfs/dbraw/zinc/08/21/38/429082138.db2.gz YJYWYFROLCZJFW-RSPOEFSDSA-N 2 0 315.505 2.875 20 0 DFADRP COC[C@]1(C[NH2+][C@@H](C)CCc2ccc(F)cc2F)CCC[NH2+]1 ZINC000423411069 429083424 /nfs/dbraw/zinc/08/34/24/429083424.db2.gz DXJREQGBGDPDLB-SUMWQHHRSA-N 2 0 312.404 2.644 20 0 DFADRP CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)[C@@H](C(C)C)[C@@H](C)[NH3+])C1 ZINC000423409949 429083661 /nfs/dbraw/zinc/08/36/61/429083661.db2.gz RCJAXISKTFOGNM-OAGGEKHMSA-N 2 0 311.514 2.623 20 0 DFADRP O[C@@H]1C[NH2+]C[C@@H]1C[NH2+][C@H](c1ccc(Cl)cc1)C1CCCC1 ZINC000423410368 429083851 /nfs/dbraw/zinc/08/38/51/429083851.db2.gz ACLYKCLUUUECJF-OIISXLGYSA-N 2 0 308.853 2.741 20 0 DFADRP CC[N@@H+]1CC[C@H](N(C)C(=O)c2ccc([C@H](C)[NH3+])cc2)C[C@@H]1C ZINC000423422330 429084924 /nfs/dbraw/zinc/08/49/24/429084924.db2.gz KXRPTQPHGXKIIT-ZQIUZPCESA-N 2 0 303.450 2.651 20 0 DFADRP c1ccc2c(c1)CC[NH2+][C@@H]2CN[C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1 ZINC000423421136 429085256 /nfs/dbraw/zinc/08/52/56/429085256.db2.gz JVBYOTVKHHWWJE-IYWMVGAKSA-N 2 0 313.489 2.774 20 0 DFADRP C[C@@H]1C[C@@H](N(C)C(=O)C(C)(C)[C@H]([NH3+])c2ccccc2)CC[N@@H+]1C ZINC000423424654 429086051 /nfs/dbraw/zinc/08/60/51/429086051.db2.gz NGURVHAGXQIFHM-HYVNUMGLSA-N 2 0 317.477 2.654 20 0 DFADRP C[C@H]([NH2+]C[C@H]1CC[C@H](C[NH3+])CC1)c1ccccc1-n1ccnn1 ZINC000423433302 429087348 /nfs/dbraw/zinc/08/73/48/429087348.db2.gz XBJLTEZLINPEKF-JYJNAYRXSA-N 2 0 313.449 2.683 20 0 DFADRP [NH3+][C@H](CCC(=O)NC[C@H]([NH3+])c1ccccc1)CC1CCCCC1 ZINC000424073069 429087642 /nfs/dbraw/zinc/08/76/42/429087642.db2.gz DZQVMXYIPPPDPM-MSOLQXFVSA-N 2 0 317.477 2.881 20 0 DFADRP CCCC[N@H+](CC)Cc1cccc(CNC(=O)C2(C)C[NH2+]C2)c1 ZINC000423441279 429088331 /nfs/dbraw/zinc/08/83/31/429088331.db2.gz YBEIXXBCHXFWQC-UHFFFAOYSA-N 2 0 317.477 2.534 20 0 DFADRP C[NH+](C)CC(C)(C)CNC(=O)CC[C@@H]([NH3+])CC1CCCCC1 ZINC000424144670 429097733 /nfs/dbraw/zinc/09/77/33/429097733.db2.gz XTDCTQTVEODDNM-MRXNPFEDSA-N 2 0 311.514 2.768 20 0 DFADRP C/C=C/COc1ccc(CC[C@@H](C)[NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)cc1 ZINC000423447761 429088706 /nfs/dbraw/zinc/08/87/06/429088706.db2.gz AFLMHCCCZKMBJK-RGUODEJCSA-N 2 0 300.446 2.770 20 0 DFADRP O=C(CC[C@@H]1CCC[NH2+]1)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000494680618 429142731 /nfs/dbraw/zinc/14/27/31/429142731.db2.gz IOWCXNRYRCHOIJ-MSOLQXFVSA-N 2 0 321.509 2.633 20 0 DFADRP c1cc(C[N@@H+](C[C@H]2CCC[NH2+]C2)[C@H]2CC23CC[NH2+]CC3)cs1 ZINC000435432392 429143144 /nfs/dbraw/zinc/14/31/44/429143144.db2.gz MYKHVPXKLQCWAM-RDJZCZTQSA-N 3 0 319.518 2.692 20 0 DFADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]C/C=C\c2ccncc2)[C@@H](C)C1 ZINC000487265816 429145606 /nfs/dbraw/zinc/14/56/06/429145606.db2.gz BLUHOANRXORCKW-GNRZLHGISA-N 2 0 317.477 2.821 20 0 DFADRP Cc1ccc(CCC[NH+]2CCN([C@H]3CCC[N@@H+](C)C3)CC2)cc1 ZINC000376608827 429148146 /nfs/dbraw/zinc/14/81/46/429148146.db2.gz GWIYXCALOXINSL-FQEVSTJZSA-N 2 0 315.505 2.639 20 0 DFADRP CCc1cccc(C)c1NC(=O)CN(CC)[C@H]1CCC[NH2+]CC1 ZINC000435613669 429152028 /nfs/dbraw/zinc/15/20/28/429152028.db2.gz KESIBURFJYKAOY-KRWDZBQOSA-N 2 0 317.477 2.960 20 0 DFADRP CCN(CC(=O)N(c1ccccc1)C(C)C)[C@H]1CCC[NH2+]CC1 ZINC000435612329 429152249 /nfs/dbraw/zinc/15/22/49/429152249.db2.gz FQNOMNHVNFRULB-KRWDZBQOSA-N 2 0 317.477 2.892 20 0 DFADRP CC(C)CNC(=O)c1cccc(CN(C)[C@@H]2CCC[NH2+]CC2)c1 ZINC000435610483 429152593 /nfs/dbraw/zinc/15/25/93/429152593.db2.gz JYJDWYIWMZCKCW-GOSISDBHSA-N 2 0 317.477 2.646 20 0 DFADRP CC(C)[C@H](CSc1ccccc1)[NH2+]C[C@H]1C[NH2+]CCCO1 ZINC000423493254 429098854 /nfs/dbraw/zinc/09/88/54/429098854.db2.gz PTPIWYLFFGILPZ-WBVHZDCISA-N 2 0 308.491 2.771 20 0 DFADRP C[NH+](C)[C@@H]1CCCN(C(=O)CC[C@H]([NH3+])CC2CCCCC2)C1 ZINC000424139284 429099237 /nfs/dbraw/zinc/09/92/37/429099237.db2.gz ACUBYPMWQSUIKH-DLBZAZTESA-N 2 0 309.498 2.617 20 0 DFADRP CC(C)[C@H](CSc1ccccc1)[NH2+]C[C@@H]1C[NH2+]CCCO1 ZINC000423493253 429099865 /nfs/dbraw/zinc/09/98/65/429099865.db2.gz PTPIWYLFFGILPZ-RDJZCZTQSA-N 2 0 308.491 2.771 20 0 DFADRP C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)CC[C@@H]([NH3+])CC1CCCCC1 ZINC000424148321 429100050 /nfs/dbraw/zinc/10/00/50/429100050.db2.gz UGEDLTWALKWSHA-KBAYOESNSA-N 2 0 321.509 2.759 20 0 DFADRP CN(C(=O)CC[C@H]([NH3+])CC1CCCCC1)C1CC[NH+](C)CC1 ZINC000424157910 429100233 /nfs/dbraw/zinc/10/02/33/429100233.db2.gz RZEABXMMBBOGLQ-INIZCTEOSA-N 2 0 309.498 2.617 20 0 DFADRP COc1cc2c(cc1OC)[C@@H]([N@@H+]1C[C@@H](C)[C@](C)(C[NH3+])C1)CC2 ZINC000423503856 429100381 /nfs/dbraw/zinc/10/03/81/429100381.db2.gz FHWYZMXEUTYKPN-HNJNHCNJSA-N 2 0 304.434 2.608 20 0 DFADRP C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)CC[C@@H]([NH3+])CC1CCCCC1 ZINC000424148325 429101324 /nfs/dbraw/zinc/10/13/24/429101324.db2.gz UGEDLTWALKWSHA-NXHRZFHOSA-N 2 0 321.509 2.759 20 0 DFADRP C[C@H](C[C@H]1CCCCC[NH2+]1)N[C@@H]1C[NH2+]C[C@H]1c1ccccc1 ZINC000423498961 429102262 /nfs/dbraw/zinc/10/22/62/429102262.db2.gz BOPNPKRYZBITSC-OQIJWPOYSA-N 2 0 301.478 2.642 20 0 DFADRP Fc1ccc2c(c1)[C@@H]([NH2+]C1CCC([NH+]3CCNCC3)CC1)CC2 ZINC000423506987 429102932 /nfs/dbraw/zinc/10/29/32/429102932.db2.gz JFJZCKSLHXQYBB-TVPLGVNVSA-N 2 0 317.452 2.619 20 0 DFADRP C[C@@H]([C@@H]1CC[N@H+](Cc2ccccc2)C1)N1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000423508256 429103053 /nfs/dbraw/zinc/10/30/53/429103053.db2.gz KNXMTTWNYULCMN-PIKOESSRSA-N 2 0 315.505 2.814 20 0 DFADRP C[C@@H]1[C@H]([NH2+][C@@H]2CC[C@@H](C[NH3+])C2)CCCN1Cc1ccccc1 ZINC000423507462 429103175 /nfs/dbraw/zinc/10/31/75/429103175.db2.gz MUBJMIQHJGQHIH-NXWXRZEISA-N 2 0 301.478 2.757 20 0 DFADRP Fc1cccc2c1CC[C@@H]2[NH2+]C1CCC([NH+]2CCNCC2)CC1 ZINC000423511037 429104361 /nfs/dbraw/zinc/10/43/61/429104361.db2.gz NBKJDIMFIWJOOP-ZOJXTTQQSA-N 2 0 317.452 2.619 20 0 DFADRP COCc1cc([C@@H](C)[N@@H+]2C[C@@H](C)[C@](C)(C[NH3+])C2)ccc1OC ZINC000423517384 429105261 /nfs/dbraw/zinc/10/52/61/429105261.db2.gz YHBGYAJLEYGVFG-HBUWYVDXSA-N 2 0 306.450 2.819 20 0 DFADRP C[C@@H]([NH2+]C1CCC(N2CC[NH2+]CC2)CC1)c1ccc(F)cc1F ZINC000423519833 429105720 /nfs/dbraw/zinc/10/57/20/429105720.db2.gz QPSNJJPKAHNFDH-IUDNXUCKSA-N 2 0 323.431 2.832 20 0 DFADRP [NH3+]C1(C[NH2+][C@@H]2[C@H]3CCO[C@H]3C23CCC3)C2CC3CC(C2)CC1C3 ZINC000423520604 429106775 /nfs/dbraw/zinc/10/67/75/429106775.db2.gz FFHOZZKRRRZHKQ-FDYAQTJCSA-N 2 0 316.489 2.687 20 0 DFADRP Cc1cccc2c1CC[C@H]2[NH2+]C1CCC([NH+]2CCNCC2)CC1 ZINC000423519327 429106936 /nfs/dbraw/zinc/10/69/36/429106936.db2.gz PQSGXMIRXGQTHL-LBXVMSDZSA-N 2 0 313.489 2.788 20 0 DFADRP CC1(C)[C@H]([NH2+]CC2([NH3+])C3CC4CC(C3)CC2C4)[C@H]2CCO[C@H]21 ZINC000423522837 429108634 /nfs/dbraw/zinc/10/86/34/429108634.db2.gz HRUUDFQHFMJDQY-RRLRJCGQSA-N 2 0 304.478 2.543 20 0 DFADRP C[NH+](C)C[C@H]1CCCN1C(=O)CC[C@H]([NH3+])CC1CCCCC1 ZINC000424197652 429109142 /nfs/dbraw/zinc/10/91/42/429109142.db2.gz WPNBTQVYCAYDHQ-DLBZAZTESA-N 2 0 309.498 2.617 20 0 DFADRP CC1(C)CC[C@@H]1[NH2+]CC1(N)CC[NH+](Cc2ccccc2)CC1 ZINC000423532085 429109903 /nfs/dbraw/zinc/10/99/03/429109903.db2.gz UOYXKANDCYPKRI-KRWDZBQOSA-N 2 0 301.478 2.758 20 0 DFADRP C[N@@H+]1CC[C@H](NCC2([NH3+])C3CC4CC(C3)CC2C4)[C@H]2CCC[C@H]21 ZINC000423531776 429110063 /nfs/dbraw/zinc/11/00/63/429110063.db2.gz UFDLOLHKEGXRHI-VVOAZBBBSA-N 2 0 317.521 2.602 20 0 DFADRP CC[N@@H+]1CC[C@H](N(C)C[C@H](C[NH3+])c2ccc(F)cc2)C[C@H]1C ZINC000424275351 429117424 /nfs/dbraw/zinc/11/74/24/429117424.db2.gz AUOJYSTYIKPAGT-HFTRVMKXSA-N 2 0 307.457 2.673 20 0 DFADRP COC(=O)CC1CC([NH2+][C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)C1 ZINC000424277586 429118340 /nfs/dbraw/zinc/11/83/40/429118340.db2.gz HATDXZAHLKMOSY-JWMHWRSXSA-N 2 0 308.466 2.571 20 0 DFADRP [NH3+][C@@H]1CCCC[C@H]1[NH2+]CCOc1ccc(OC(F)(F)F)cc1 ZINC000424277506 429118493 /nfs/dbraw/zinc/11/84/93/429118493.db2.gz ANXQYZYCFOSFCM-ZIAGYGMSSA-N 2 0 318.339 2.824 20 0 DFADRP CO[C@H](C)c1nc(C[N@@H+]2CC3(C[C@@H]2C)CC[NH2+]CC3)cs1 ZINC000424292957 429120759 /nfs/dbraw/zinc/12/07/59/429120759.db2.gz OYTZEJKIGLVFTM-QWHCGFSZSA-N 2 0 309.479 2.815 20 0 DFADRP [NH3+]CCCN(Cc1ccccc1)C[C@H](C[NH3+])c1ccc(F)cc1 ZINC000424305473 429123415 /nfs/dbraw/zinc/12/34/15/429123415.db2.gz SJWJCYHWKZEGAX-SFHVURJKSA-N 2 0 315.436 2.719 20 0 DFADRP CCOC(=O)CC(C)(C)CC[N@@H+]1CCC[C@@H]1CN1CCCC1 ZINC000376503066 429124072 /nfs/dbraw/zinc/12/40/72/429124072.db2.gz RVOMNNCTXLHEKU-MRXNPFEDSA-N 2 0 310.482 2.916 20 0 DFADRP CCOC(=O)CC(C)(C)CC[N@@H+]1C[C@@H]2C[NH+]3CCCC[C@H]3[C@H]2C1 ZINC000376515938 429127648 /nfs/dbraw/zinc/12/76/48/429127648.db2.gz WDJNLQLUJTWFTH-IKGGRYGDSA-N 2 0 322.493 2.772 20 0 DFADRP CC(C)C[C@H](C[NH2+][C@@H]1CC[N@H+](C)C[C@@H]1C)C(=O)OC(C)(C)C ZINC000424332843 429128307 /nfs/dbraw/zinc/12/83/07/429128307.db2.gz VPKNQXMLQXBMRJ-ARFHVFGLSA-N 2 0 312.498 2.920 20 0 DFADRP CC[NH2+]CC1CC[NH+](Cc2c[nH]nc2-c2ccc(C)o2)CC1 ZINC000435370282 429133902 /nfs/dbraw/zinc/13/39/02/429133902.db2.gz HZCKGIGVVMFYCP-UHFFFAOYSA-N 2 0 302.422 2.800 20 0 DFADRP CCc1nn(C)c(CC)c1C[N@@H+]1CC2(C[C@H]1C)CC[NH2+]CC2 ZINC000424384198 429134484 /nfs/dbraw/zinc/13/44/84/429134484.db2.gz UXEZVOJKQOZTNB-CQSZACIVSA-N 2 0 304.482 2.509 20 0 DFADRP C[C@@H]1CC2(C[N@@H+]1Cc1ccc(N3CCCC3)nc1)CC[NH2+]CC2 ZINC000424384224 429134582 /nfs/dbraw/zinc/13/45/82/429134582.db2.gz UZMLCTMPJAGTJV-MRXNPFEDSA-N 2 0 314.477 2.646 20 0 DFADRP C[NH2+]CCN(C)c1cc[nH+]c2cc(OC)c(Br)cc21 ZINC000424407468 429136000 /nfs/dbraw/zinc/13/60/00/429136000.db2.gz BXOCBCKQVXSLEQ-UHFFFAOYSA-N 2 0 324.222 2.662 20 0 DFADRP CC[N@H+](Cc1ccc(OCCOC)cc1)[C@H]1CCC[NH2+]CC1 ZINC000435388917 429136096 /nfs/dbraw/zinc/13/60/96/429136096.db2.gz IBARIECUXYHSKO-KRWDZBQOSA-N 2 0 306.450 2.676 20 0 DFADRP COc1ccc(-c2ccncc2)cc1C[N@@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000435377700 429136941 /nfs/dbraw/zinc/13/69/41/429136941.db2.gz FJZGXDUCUZQVNI-QXAKKESOSA-N 2 0 323.440 2.926 20 0 DFADRP Cc1cc(C[NH3+])cc(NC(=O)N(C)[C@@H](C)C2CC[NH+](C)CC2)c1 ZINC000424426753 429139906 /nfs/dbraw/zinc/13/99/06/429139906.db2.gz NGAUZTZKPZJEGH-AWEZNQCLSA-N 2 0 318.465 2.648 20 0 DFADRP Cc1cc(C[NH3+])cc(NC(=O)N[C@@H](C)C[NH+]2CCCCCC2)c1 ZINC000424427005 429139911 /nfs/dbraw/zinc/13/99/11/429139911.db2.gz NQRAQSCAZLEHMI-HNNXBMFYSA-N 2 0 318.465 2.840 20 0 DFADRP CC(C)n1ncc2cc(C[N@H+](C)[C@@H]3CCC[NH2+]CC3)cnc21 ZINC000435445254 429142222 /nfs/dbraw/zinc/14/22/22/429142222.db2.gz DLUGCUFCYINZBT-MRXNPFEDSA-N 2 0 301.438 2.586 20 0 DFADRP C(CC1CCOCC1)C[NH+]1CCC(CC[NH+]2CCOCC2)CC1 ZINC000364031506 429160920 /nfs/dbraw/zinc/16/09/20/429160920.db2.gz VBBIUJGSQJRDTN-UHFFFAOYSA-N 2 0 324.509 2.628 20 0 DFADRP C[C@@H]1C[C@H](NC[C@@H]2CCC[NH+]2C2CCCCC2)C[N@@H+]1C1CC1 ZINC000435749089 429163046 /nfs/dbraw/zinc/16/30/46/429163046.db2.gz RDDLEQULLCYBKM-GJYPPUQNSA-N 2 0 305.510 2.998 20 0 DFADRP CC(C)[N@H+](C)Cc1cccc(C[NH2+][C@H]2CCC(=O)NC2(C)C)c1 ZINC000494900462 429163473 /nfs/dbraw/zinc/16/34/73/429163473.db2.gz AKFWLUVYMXAEFR-KRWDZBQOSA-N 2 0 317.477 2.674 20 0 DFADRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@H]1C[C@@]1(C)c1cccs1 ZINC000364055690 429164800 /nfs/dbraw/zinc/16/48/00/429164800.db2.gz JKSNESRBXFLJEX-CKEIUWERSA-N 2 0 320.506 2.624 20 0 DFADRP CC[C@H](C)NC(=O)[C@@H]1C[C@H](C)[N@H+](CCC[NH2+]C)[C@@H]2CCCC[C@H]12 ZINC000435873148 429168505 /nfs/dbraw/zinc/16/85/05/429168505.db2.gz BKETXGNSQBKDHM-QXDIGNSFSA-N 2 0 323.525 2.780 20 0 DFADRP C[NH2+]CCC[N@H+](C)CCCc1cc(-c2ccc(F)cc2)n(C)n1 ZINC000435874966 429169071 /nfs/dbraw/zinc/16/90/71/429169071.db2.gz AELRYLQJRFJETF-UHFFFAOYSA-N 2 0 318.440 2.700 20 0 DFADRP CC[C@H](C)NC(=O)[C@@H]1C[C@H](C)[N@H+](CCC[NH2+]C)[C@H]2CCCC[C@H]12 ZINC000435873145 429169656 /nfs/dbraw/zinc/16/96/56/429169656.db2.gz BKETXGNSQBKDHM-AVEIZBFRSA-N 2 0 323.525 2.780 20 0 DFADRP C[C@H]1CCCC[C@@H]1C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C ZINC000424649518 429169863 /nfs/dbraw/zinc/16/98/63/429169863.db2.gz AVLKOUFIQLOWEE-IRXDYDNUSA-N 2 0 311.514 2.545 20 0 DFADRP O[C@@H]1CCC[C@@H]1[NH+]1CCC([NH2+][C@H]2CCc3cc(F)ccc32)CC1 ZINC000271499258 275053432 /nfs/dbraw/zinc/05/34/32/275053432.db2.gz LSZCYZQLWQPKGU-GBESFXJTSA-N 2 0 318.436 2.780 20 0 DFADRP CC(C)OC(=O)CC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000364343608 429187331 /nfs/dbraw/zinc/18/73/31/429187331.db2.gz OZRKNKABDRZJNH-FUHWJXTLSA-N 2 0 318.461 2.828 20 0 DFADRP C[C@H]1C[C@@H](C[NH3+])C[N@@H+]1CCc1nc(-c2cccc(Cl)c2)no1 ZINC000442767328 429234196 /nfs/dbraw/zinc/23/41/96/429234196.db2.gz YJTNDEOVZWVLPP-RYUDHWBXSA-N 2 0 320.824 2.602 20 0 DFADRP [NH3+]CC[C@@H]1CCC[N@H+](Cc2c[nH]nc2-c2ccc(F)cc2)C1 ZINC000442929535 429241217 /nfs/dbraw/zinc/24/12/17/429241217.db2.gz RLWLRFNBDWSKQX-ZDUSSCGKSA-N 2 0 302.397 2.777 20 0 DFADRP COCC[N@H+](C)CCCNc1c(C)c[nH+]c2c(C)cccc12 ZINC000443446981 429252216 /nfs/dbraw/zinc/25/22/16/429252216.db2.gz NTXPSIXVZKFTGR-UHFFFAOYSA-N 2 0 301.434 2.654 20 0 DFADRP COC1(C[NH2+]C[C@H]2CC[N@H+](C)[C@H]2c2cccs2)CCOCC1 ZINC000364762744 429263573 /nfs/dbraw/zinc/26/35/73/429263573.db2.gz BXKWHDUYGNSBJI-GDBMZVCRSA-N 2 0 324.490 2.526 20 0 DFADRP CC(C)C[C@H](C[NH+]1CCN([C@@H]2CC[NH2+]C2)CC1)c1ccccc1 ZINC000489991511 429273154 /nfs/dbraw/zinc/27/31/54/429273154.db2.gz UGVJYMNIBSVVBU-WOJBJXKFSA-N 2 0 315.505 2.796 20 0 DFADRP CCC[NH+](CCC)CCCC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000456315128 429274713 /nfs/dbraw/zinc/27/47/13/429274713.db2.gz BRTCJZGWOFZLIN-ALOPSCKCSA-N 2 0 309.498 2.630 20 0 DFADRP C[C@@H](Cc1ccccc1)[NH+]1CCC([NH2+]CCn2cccn2)CC1 ZINC000449084080 429327105 /nfs/dbraw/zinc/32/71/05/429327105.db2.gz FMWWVTCBFBMPJR-KRWDZBQOSA-N 2 0 312.461 2.568 20 0 DFADRP C[C@H](Cc1ccccc1)[NH+]1CCC(NC[C@H]2CCC[N@@H+]2C)CC1 ZINC000449102006 429333672 /nfs/dbraw/zinc/33/36/72/429333672.db2.gz HWNZLKQOVBLRMM-YLJYHZDGSA-N 2 0 315.505 2.766 20 0 DFADRP C[NH+]1CCN(c2ncccc2C[NH2+][C@@H]2CCCC23CCC3)CC1 ZINC000449108049 429334040 /nfs/dbraw/zinc/33/40/40/429334040.db2.gz SAZVRDJOMBBCNP-QGZVFWFLSA-N 2 0 314.477 2.646 20 0 DFADRP C[NH2+][C@@H](CC(C)(C)C)C(=O)NC1CC[NH+](CC2CCCC2)CC1 ZINC000449109428 429334661 /nfs/dbraw/zinc/33/46/61/429334661.db2.gz WQJJDYHNIUYYIG-KRWDZBQOSA-N 2 0 323.525 2.781 20 0 DFADRP CSCC1CCC([NH2+]C[C@H](O)C[NH+]2CCC(C)CC2)CC1 ZINC000449125860 429338389 /nfs/dbraw/zinc/33/83/89/429338389.db2.gz RWYMQYJWLAVRPW-JCYILVPMSA-N 2 0 314.539 2.591 20 0 DFADRP CCC[C@@H]([NH2+]CCC[N@@H+]1CCC[C@@H](C(N)=O)C1)C1CCCC1 ZINC000449133953 429340753 /nfs/dbraw/zinc/34/07/53/429340753.db2.gz GBYKWEDKGIUKID-IAGOWNOFSA-N 2 0 309.498 2.522 20 0 DFADRP c1cn2c(n1)C[C@@H](C[NH2+]Cc1coc(-c3ccccc3)n1)CC2 ZINC000365554367 429340848 /nfs/dbraw/zinc/34/08/48/429340848.db2.gz KPHZBSOFBSCYQX-AWEZNQCLSA-N 2 0 308.385 2.890 20 0 DFADRP C[C@@H](Cc1ccccc1)[NH+]1CCC([NH2+]C[C@](C)(O)C2CC2)CC1 ZINC000449149564 429344117 /nfs/dbraw/zinc/34/41/17/429344117.db2.gz XFWNPEMGRHRQHW-JXFKEZNVSA-N 2 0 316.489 2.833 20 0 DFADRP COC(=O)[C@H](CCN(C)CCC[NH+]1CCCC1)c1ccccc1 ZINC000425439876 429297338 /nfs/dbraw/zinc/29/73/38/429297338.db2.gz CUPZNFYNQLFRQV-GOSISDBHSA-N 2 0 318.461 2.751 20 0 DFADRP Cc1cc[nH+]c(NC[C@@H]2CC[N@H+](CCOCC(F)(F)F)C2)c1 ZINC000365310421 429298942 /nfs/dbraw/zinc/29/89/42/429298942.db2.gz GAPQJKWVWGBSMM-ZDUSSCGKSA-N 2 0 317.355 2.703 20 0 DFADRP C[C@@H]1C[N@H+](CCC[NH2+][C@@H]2CCCC[C@H]2[C@H]2CCOC2)CCCO1 ZINC000365315348 429299557 /nfs/dbraw/zinc/29/95/57/429299557.db2.gz GJSIJJVDSBPDJN-YDZRNGNQSA-N 2 0 324.509 2.672 20 0 DFADRP CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CCCC[NH+]2C2CCCC2)C1 ZINC000457084826 429397012 /nfs/dbraw/zinc/39/70/12/429397012.db2.gz GWFOMZCMFNLKFK-MSOLQXFVSA-N 2 0 321.509 2.725 20 0 DFADRP C[C@H]1C[C@@H]([NH2+]CC2=CCOCC2)CC[N@@H+]1Cc1ccccc1 ZINC000449402329 429406684 /nfs/dbraw/zinc/40/66/84/429406684.db2.gz LEIREDLBDSCWJF-LPHOPBHVSA-N 2 0 300.446 2.976 20 0 DFADRP C[C@H]1C[C@H]([NH2+]Cc2cn(C)nc2-c2ccc(F)cc2)CC[N@@H+]1C ZINC000449170909 429348941 /nfs/dbraw/zinc/34/89/41/429348941.db2.gz JIKSZHDESGZZLN-SUMWQHHRSA-N 2 0 316.424 2.799 20 0 DFADRP O[C@H]1CCCC[C@@H]1CCC[NH2+]Cc1cc(C2CC[NH2+]CC2)no1 ZINC000425897985 429350216 /nfs/dbraw/zinc/35/02/16/429350216.db2.gz XBJQBZRMQJVBNH-QAPCUYQASA-N 2 0 321.465 2.563 20 0 DFADRP O[C@H]1CCCC[C@H]1CCC[NH2+]Cc1cc(C2CC[NH2+]CC2)no1 ZINC000425897986 429351826 /nfs/dbraw/zinc/35/18/26/429351826.db2.gz XBJQBZRMQJVBNH-YJBOKZPZSA-N 2 0 321.465 2.563 20 0 DFADRP CCn1nnc(C)c1C[NH2+]C1CCC([NH+]2CCC(C)CC2)CC1 ZINC000449202173 429356929 /nfs/dbraw/zinc/35/69/29/429356929.db2.gz JLQHSHYEPJTASM-UHFFFAOYSA-N 2 0 319.497 2.739 20 0 DFADRP CC1=C[C@H](C)C[C@H](C[N@@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@@H](C)C2)C1 ZINC000365660284 429358538 /nfs/dbraw/zinc/35/85/38/429358538.db2.gz NUIHUUIYQPEIPT-LEAZDLGRSA-N 2 0 319.537 2.937 20 0 DFADRP C[C@@H](Cc1ccccc1)[NH+]1CCC([NH2+][C@H]2CCO[C@H]2C)CC1 ZINC000449214895 429359221 /nfs/dbraw/zinc/35/92/21/429359221.db2.gz MPQPMENCLDXKDK-BXWFABGCSA-N 2 0 302.462 2.849 20 0 DFADRP CCC[C@]1([NH2+]C/C=C/C[NH2+][C@@]2(CCC)CCOC2)CCOC1 ZINC000512284725 429359242 /nfs/dbraw/zinc/35/92/42/429359242.db2.gz CNHXNTPNVUBGNP-ZBKUBXTQSA-N 2 0 310.482 2.640 20 0 DFADRP C[N@@H+]1CC[C@H]([NH2+][C@@H]2CCN(c3ccccc3F)C2)[C@H]2CCC[C@H]21 ZINC000426296010 429380617 /nfs/dbraw/zinc/38/06/17/429380617.db2.gz PBXAPZNLIQUUDP-XYVMCAHJSA-N 2 0 317.452 2.867 20 0 DFADRP C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)C1(C[NH+](C)C)CCCCC1 ZINC000426404167 429388187 /nfs/dbraw/zinc/38/81/87/429388187.db2.gz HMEWRFUHZMULLN-CALCHBBNSA-N 2 0 323.525 2.878 20 0 DFADRP C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)C[C@H]2CCCC[C@H]2[NH3+])C1 ZINC000449336667 429390213 /nfs/dbraw/zinc/39/02/13/429390213.db2.gz OGFGLVLOSQSHNF-BZUAXINKSA-N 2 0 309.498 2.521 20 0 DFADRP C[NH+](C)CCOc1cnccc1C[NH2+][C@H]1CCCC12CCC2 ZINC000449330595 429390242 /nfs/dbraw/zinc/39/02/42/429390242.db2.gz UZRNCBCBIBQJHB-KRWDZBQOSA-N 2 0 303.450 2.834 20 0 DFADRP CN(CCC[N@H+](C)Cc1cccc2ccoc21)CC[NH+](C)C ZINC000449328629 429390440 /nfs/dbraw/zinc/39/04/40/429390440.db2.gz KCMRIFVAPRNPTI-UHFFFAOYSA-N 2 0 303.450 2.748 20 0 DFADRP C[C@@H]1CCCC[C@@H]1[NH+]1CCC(NCC[N@H+]2CC=CCC2)CC1 ZINC000366251035 429440932 /nfs/dbraw/zinc/44/09/32/429440932.db2.gz UTTVZMJQRZLCJB-MJGOQNOKSA-N 2 0 305.510 2.881 20 0 DFADRP C/C(=C\c1ccccc1)C[NH2+]CCCC[N@@H+]1CCC[C@H]1CO ZINC000518981295 429441220 /nfs/dbraw/zinc/44/12/20/429441220.db2.gz SUBBQBSWMXKIEO-FLXZHSAZSA-N 2 0 302.462 2.916 20 0 DFADRP O=C(C[C@H]1CC[NH2+]C1)Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC000427267050 429442603 /nfs/dbraw/zinc/44/26/03/429442603.db2.gz WWBMRIAZMROJSF-QGZVFWFLSA-N 2 0 315.461 2.653 20 0 DFADRP C[C@H](CC(=O)Nc1cccc(F)c1)[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000366259232 429442917 /nfs/dbraw/zinc/44/29/17/429442917.db2.gz NCZXLYZLPXPVDN-COXVUDFISA-N 2 0 319.424 2.759 20 0 DFADRP C[C@@H]([NH2+]CCc1ccc(Br)cc1)[C@@H]1CCC[NH2+]C1 ZINC000519138332 429448213 /nfs/dbraw/zinc/44/82/13/429448213.db2.gz WJOMMJIMABZRFL-TZMCWYRMSA-N 2 0 311.267 2.969 20 0 DFADRP CC[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)[C@@H](C)O ZINC000449540815 429448518 /nfs/dbraw/zinc/44/85/18/429448518.db2.gz JVQXCXCFCAMZFR-IPFAQRCESA-N 2 0 302.462 2.931 20 0 DFADRP COc1cc(CN2CC[C@H]3[NH2+]CC[C@@H]3C2)ccc1OC(C)C ZINC000427101637 429431088 /nfs/dbraw/zinc/43/10/88/429431088.db2.gz PVPFEKYUXHPGEA-HZPDHXFCSA-N 2 0 304.434 2.666 20 0 DFADRP CC[NH+](CC)Cc1ccc(C(=O)NC(C)(C)C[NH+](C)C)cc1 ZINC000457249245 429433859 /nfs/dbraw/zinc/43/38/59/429433859.db2.gz SUUGUXVXSWABCS-UHFFFAOYSA-N 2 0 305.466 2.598 20 0 DFADRP COC(=O)CC[C@H]([NH2+][C@@H](C)[C@@H]1CCC[NH2+]C1)c1ccccc1 ZINC000519767568 429486670 /nfs/dbraw/zinc/48/66/70/429486670.db2.gz XUARHYSTLLOEDK-UAGQMJEPSA-N 2 0 304.434 2.659 20 0 DFADRP CCC[N@H+](CC)Cc1ccc(C(=O)N[C@H]2CC[C@H](C[NH3+])C2)cc1 ZINC000449720012 429488876 /nfs/dbraw/zinc/48/88/76/429488876.db2.gz HZMBKYPNPHBQBU-WMZOPIPTSA-N 2 0 317.477 2.776 20 0 DFADRP COc1cccc(OCC[N@@H+]2CCCC3(CC[NH+](C)CC3)C2)c1 ZINC000366866718 429530391 /nfs/dbraw/zinc/53/03/91/429530391.db2.gz RZAKJFNQSSUXLB-UHFFFAOYSA-N 2 0 318.461 2.882 20 0 DFADRP C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)c1ccc(Nc2cc[nH+]cc2)cc1 ZINC000428127970 429493683 /nfs/dbraw/zinc/49/36/83/429493683.db2.gz ZAXCWAPJWNHXTJ-KSSFIOAISA-N 2 0 324.428 2.589 20 0 DFADRP CC[NH+](CC)CCOC1CC[NH+]([C@@H](C)c2cnc(C)cn2)CC1 ZINC000428235078 429502801 /nfs/dbraw/zinc/50/28/01/429502801.db2.gz BPYOOGAKFNUOJR-INIZCTEOSA-N 2 0 320.481 2.669 20 0 DFADRP c1cn2c(n1)C[C@H](C[NH2+]C1CC[NH+](C3CCCCC3)CC1)CC2 ZINC000366744780 429505696 /nfs/dbraw/zinc/50/56/96/429505696.db2.gz KDGBMTLUSMMPEZ-MRXNPFEDSA-N 2 0 316.493 2.832 20 0 DFADRP c1ccc(CSCC[NH2+]C[C@@H]2CN3CCCC[C@H]3CO2)cc1 ZINC000366815682 429518672 /nfs/dbraw/zinc/51/86/72/429518672.db2.gz YWLJUYCQOUCILP-ZWKOTPCHSA-N 2 0 320.502 2.763 20 0 DFADRP CC[N@H+](CCNC(=O)[C@H]1CCCC[NH+]1C1CCCC1)C(C)C ZINC000449838877 429522735 /nfs/dbraw/zinc/52/27/35/429522735.db2.gz JIYAAHBAKVVPDE-QGZVFWFLSA-N 2 0 309.498 2.630 20 0 DFADRP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)Nc1cc(C)cc(C[NH3+])c1 ZINC000521611652 429558437 /nfs/dbraw/zinc/55/84/37/429558437.db2.gz ROUIGEVXFVNEEK-SJORKVTESA-N 2 0 316.449 2.544 20 0 DFADRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H]2CCC23CCOCC3)[C@@H](C)C1 ZINC000367050963 429565175 /nfs/dbraw/zinc/56/51/75/429565175.db2.gz URNFIMQMWYGVFI-OKZBNKHCSA-N 2 0 324.509 2.672 20 0 DFADRP c1c(C[NH2+][C@H]2CCc3ccccc3C2)onc1C1CC[NH2+]CC1 ZINC000521994221 429573958 /nfs/dbraw/zinc/57/39/58/429573958.db2.gz WPGBJSNZSCHUJV-KRWDZBQOSA-N 2 0 311.429 2.789 20 0 DFADRP CCc1ccccc1NC(=O)[C@@H](C)N1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000429034396 429574799 /nfs/dbraw/zinc/57/47/99/429574799.db2.gz IHUUOSJSRZIWIB-DNVCBOLYSA-N 2 0 315.461 2.604 20 0 DFADRP COC(=O)[C@H](CC(C)C)[NH+]1CCC2(C[C@H]2C[N@H+](C)C2CC2)CC1 ZINC000367132707 429583965 /nfs/dbraw/zinc/58/39/65/429583965.db2.gz FPSFXJBKCDBAEZ-RDJZCZTQSA-N 2 0 322.493 2.770 20 0 DFADRP CCOC1CC(C[NH+]2CCC3(C[C@@H]3C[N@H+](C)C3CC3)CC2)C1 ZINC000367133621 429584737 /nfs/dbraw/zinc/58/47/37/429584737.db2.gz OHQJBAQMMIDQNR-UPTPFMHGSA-N 2 0 306.494 2.998 20 0 DFADRP C[C@@H](c1ccccc1)[C@@H](O)C[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000450265375 429587815 /nfs/dbraw/zinc/58/78/15/429587815.db2.gz XLFDFILZERYZNR-PXNSSMCTSA-N 2 0 316.489 2.959 20 0 DFADRP O=C([C@H]1CCC[N@H+](CCC[NH+]2CCCC2)C1)N1CCCCCC1 ZINC000366896639 429535363 /nfs/dbraw/zinc/53/53/63/429535363.db2.gz QCGUNAZQTXXXAV-SFHVURJKSA-N 2 0 321.509 2.587 20 0 DFADRP C[NH+]1CCC2(CCC[N@H+](Cc3ccc(-c4cc[nH]n4)o3)C2)CC1 ZINC000366949481 429545528 /nfs/dbraw/zinc/54/55/28/429545528.db2.gz BMRXXTXYMRIJOL-UHFFFAOYSA-N 2 0 314.433 2.978 20 0 DFADRP C[C@H](O)c1ncc(C[N@@H+]2CCCC3(CC[NH+](C)CC3)C2)s1 ZINC000367355903 429630404 /nfs/dbraw/zinc/63/04/04/429630404.db2.gz HVYGUEIGQSHCQI-ZDUSSCGKSA-N 2 0 309.479 2.504 20 0 DFADRP CC[C@@H]1CCC[C@H]1[NH2+]CC(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000429759785 429630585 /nfs/dbraw/zinc/63/05/85/429630585.db2.gz AOFVQZUIAJVSBN-KBAYOESNSA-N 2 0 317.477 2.574 20 0 DFADRP CCC[C@H](C(=O)NC1CC[NH+](Cc2cccs2)CC1)[NH+](C)C ZINC000367444544 429649414 /nfs/dbraw/zinc/64/94/14/429649414.db2.gz GIIYFDCTFFFSDH-MRXNPFEDSA-N 2 0 323.506 2.559 20 0 DFADRP CCc1ccc2[nH+]ccc(N3CC[N@H+](C[C@H](C)O)[C@H](C)C3)c2c1 ZINC000450314176 429597374 /nfs/dbraw/zinc/59/73/74/429597374.db2.gz TYBADJJRNUJTIP-CABCVRRESA-N 2 0 313.445 2.689 20 0 DFADRP C[N@H+](CCN1CCCc2ccccc21)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000367210368 429598552 /nfs/dbraw/zinc/59/85/52/429598552.db2.gz CPVKMHAXRPREHR-DFNIBXOVSA-N 2 0 313.489 2.996 20 0 DFADRP C[C@H]1CC[C@H](C)[NH+]1CCN1CC[NH+](CC2CC(F)(F)C2)CC1 ZINC000450329505 429601229 /nfs/dbraw/zinc/60/12/29/429601229.db2.gz QONZAXJIFVTJRV-GJZGRUSLSA-N 2 0 315.452 2.522 20 0 DFADRP CCC[N@H+](CC)Cc1ccc(C(=O)N2C[C@H](C)[NH2+][C@@H](C)C2)cc1 ZINC000429405725 429606814 /nfs/dbraw/zinc/60/68/14/429606814.db2.gz LWRADGRMQDDSIA-HOTGVXAUSA-N 2 0 317.477 2.741 20 0 DFADRP CCC[NH+]1CCC([NH2+]C[C@]2(CO)C[C@@H]2c2ccc(F)cc2)CC1 ZINC000429422553 429607896 /nfs/dbraw/zinc/60/78/96/429607896.db2.gz ZSNWMWMYHBJVQQ-MOPGFXCFSA-N 2 0 320.452 2.756 20 0 DFADRP C[C@@H](C(=O)N1CCC[NH+](C(C)(C)C)CC1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000523509865 429609057 /nfs/dbraw/zinc/60/90/57/429609057.db2.gz PUMMKAPJNRHCHM-XHSDSOJGSA-N 2 0 309.498 2.581 20 0 DFADRP OC[C@@H](CC(F)F)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000429474495 429610931 /nfs/dbraw/zinc/61/09/31/429610931.db2.gz YRQYULMNBZSUDN-IFFAKLHKSA-N 2 0 324.415 2.788 20 0 DFADRP CC(C)[C@H](C(=O)NCc1ccc([C@H](C)[NH3+])cc1)[NH+]1CCCCC1 ZINC000429499876 429612114 /nfs/dbraw/zinc/61/21/14/429612114.db2.gz BHANOMQHRKEQPJ-MAUKXSAKSA-N 2 0 317.477 2.833 20 0 DFADRP CCCc1ccc2[nH+]ccc(N3C[C@@H]4OCC[N@H+](C)[C@H]4C3)c2c1 ZINC000450387523 429613665 /nfs/dbraw/zinc/61/36/65/429613665.db2.gz JJEKZFPCSPXCTN-OALUTQOASA-N 2 0 311.429 2.707 20 0 DFADRP Cc1cccc2c(NC[C@H]3CCC[N@@H+]3CCCO)c(C)c[nH+]c12 ZINC000450599981 429658202 /nfs/dbraw/zinc/65/82/02/429658202.db2.gz UQCPBQOKKNWUDC-MRXNPFEDSA-N 2 0 313.445 2.532 20 0 DFADRP CC(C)n1cc(CN(C)C2CC[NH+](C3CCOCC3)CC2)cn1 ZINC000367475441 429658251 /nfs/dbraw/zinc/65/82/51/429658251.db2.gz YAPIHPLRXAKEFQ-UHFFFAOYSA-N 2 0 320.481 2.539 20 0 DFADRP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@@H+]2C[C@@H]1CCCCC1(F)F ZINC000450598603 429659279 /nfs/dbraw/zinc/65/92/79/429659279.db2.gz JQAACYVRXLWARL-JJXSEGSLSA-N 2 0 316.436 2.995 20 0 DFADRP C[N@@H+]1CC[C@H]([NH2+]Cc2ccc(OCC3CC3)nc2)[C@H]2CCC[C@@H]21 ZINC000367517653 429664111 /nfs/dbraw/zinc/66/41/11/429664111.db2.gz CVPGILXNHSZOEU-SQNIBIBYSA-N 2 0 315.461 2.833 20 0 DFADRP CC(C)(C)n1cc(CN2C[C@@H]3C[N@@H+]4CCCC[C@@H]4[C@H]3C2)cn1 ZINC000367472165 429654671 /nfs/dbraw/zinc/65/46/71/429654671.db2.gz FOMVICBVWDDZGH-IXDOHACOSA-N 2 0 302.466 2.554 20 0 DFADRP CC[NH+](CC)[C@H](C)CN[C@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000355284037 276118297 /nfs/dbraw/zinc/11/82/97/276118297.db2.gz RBROFIBRQJZQBK-LMMKCTJWSA-N 2 0 303.494 2.969 20 0 DFADRP CC1=C[C@@H](C)C[C@H](C[NH+]2CCC(C[NH+]3CCN(C)CC3)CC2)C1 ZINC000368219249 276183974 /nfs/dbraw/zinc/18/39/74/276183974.db2.gz AUVWXULWVMCVRC-XLIONFOSSA-N 2 0 319.537 2.938 20 0 DFADRP CC1CC[NH+](CCCC[NH2+]Cc2cn(C)nc2C(F)F)CC1 ZINC000360953558 276196524 /nfs/dbraw/zinc/19/65/24/276196524.db2.gz HPWFPWAIULLCAU-UHFFFAOYSA-N 2 0 314.424 2.959 20 0 DFADRP CC[N@@H+]1CC[C@H]([NH+](C)CCC(=O)N(C)c2ccccc2)[C@H](C)C1 ZINC000135199859 276224215 /nfs/dbraw/zinc/22/42/15/276224215.db2.gz HYKDENQFQPNTBO-AEFFLSMTSA-N 2 0 317.477 2.702 20 0 DFADRP CC[N@@H+]1CC[C@H]([NH2+][C@@H]2CCN(C(C)=O)c3ccccc32)[C@H](C)C1 ZINC000358374723 276230493 /nfs/dbraw/zinc/23/04/93/276230493.db2.gz OZIRTZUXIURKEV-FHLIZLRMSA-N 2 0 315.461 2.804 20 0 DFADRP COc1ccc(CC[NH2+][C@@H]2CC[N@H+](C)[C@H]3CCC[C@H]32)cc1OC ZINC000367614379 429687461 /nfs/dbraw/zinc/68/74/61/429687461.db2.gz GYLUXQHLJRBGNM-BBWFWOEESA-N 2 0 318.461 2.709 20 0 DFADRP CCOC(=O)[C@@H]1CC[C@H]([NH2+]C2CC[NH+](C3CCC3)CC2)C[C@@H]1C ZINC000359395235 276288160 /nfs/dbraw/zinc/28/81/60/276288160.db2.gz MICRRPLLDLDIHH-QILLFSRXSA-N 2 0 322.493 2.961 20 0 DFADRP CC[NH+](CC)C[C@H]1CCN([C@@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000271254543 276334405 /nfs/dbraw/zinc/33/44/05/276334405.db2.gz GGNGRCUBQFQSNX-WOJBJXKFSA-N 2 0 315.505 2.925 20 0 DFADRP Cc1cccc2ncc(C[N@H+]3CC[C@@H](C4CC[NH+](C)CC4)C3)n21 ZINC000367685822 429699956 /nfs/dbraw/zinc/69/99/56/429699956.db2.gz LBYDTMIXKZNBQB-QGZVFWFLSA-N 2 0 312.461 2.806 20 0 DFADRP [NH3+]C[C@H]1CCC[N@H+](CCOc2ccccc2C(F)(F)F)C1 ZINC000430602946 429700424 /nfs/dbraw/zinc/70/04/24/429700424.db2.gz IGHVHZWCBIJSQM-GFCCVEGCSA-N 2 0 302.340 2.755 20 0 DFADRP CC[N@@H+]1CC[C@@H](N(C)C(=O)CC2(C[NH3+])CCCCC2)C[C@H]1C ZINC000361627494 276393754 /nfs/dbraw/zinc/39/37/54/276393754.db2.gz NKSSVVBOFRZXLB-HZPDHXFCSA-N 2 0 309.498 2.617 20 0 DFADRP C[C@H](C(=O)Nc1cccc2ccccc21)[NH+]1CCC(C[NH3+])CC1 ZINC000430621097 429702931 /nfs/dbraw/zinc/70/29/31/429702931.db2.gz CZORYVOXZQGOKL-CQSZACIVSA-N 2 0 311.429 2.838 20 0 DFADRP [NH3+]CC1CC[NH+](Cc2coc(-c3ccc(F)c(F)c3)n2)CC1 ZINC000430617040 429703596 /nfs/dbraw/zinc/70/35/96/429703596.db2.gz JOMZJVQYCJLMDJ-UHFFFAOYSA-N 2 0 307.344 2.791 20 0 DFADRP COC[C@H](C)C[NH2+]C[C@H](C(C)C)N1CCc2ccccc2C1 ZINC000526123335 429703860 /nfs/dbraw/zinc/70/38/60/429703860.db2.gz LHVMAJIKCJHZGQ-VQIMIIECSA-N 2 0 304.478 2.941 20 0 DFADRP [NH3+]CC1CC[NH+](CCOc2ccccc2C(F)(F)F)CC1 ZINC000430637202 429705486 /nfs/dbraw/zinc/70/54/86/429705486.db2.gz KTSPPFSQLITWIC-UHFFFAOYSA-N 2 0 302.340 2.755 20 0 DFADRP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)[C@@H]1CCCCCC[C@H]1[NH3+] ZINC000430771429 429715889 /nfs/dbraw/zinc/71/58/89/429715889.db2.gz DDQQQMYZMYTPJB-BRWVUGGUSA-N 2 0 309.498 2.665 20 0 DFADRP C[C@H](CC(=O)NCC1([NH+](C)C)CCCCCC1)[C@H]1CCC[NH2+]C1 ZINC000430840592 429719897 /nfs/dbraw/zinc/71/98/97/429719897.db2.gz YEDNACYSITXFMO-SJORKVTESA-N 2 0 323.525 2.783 20 0 DFADRP C[C@H]1C[N@H+](CCc2nc(-c3cccc(Cl)c3)no2)CC[C@H]1[NH3+] ZINC000430917747 429723140 /nfs/dbraw/zinc/72/31/40/429723140.db2.gz FGCBEKRVDCIBAV-SMDDNHRTSA-N 2 0 320.824 2.602 20 0 DFADRP Cc1ccccc1[C@H](C)NC(=O)[C@H](C)[NH+]1CCC([C@H](C)[NH3+])CC1 ZINC000430917427 429723270 /nfs/dbraw/zinc/72/32/70/429723270.db2.gz DDZUBNSSLLRQEM-JYJNAYRXSA-N 2 0 317.477 2.620 20 0 DFADRP C[NH2+]CC1CC[NH+](CCC(=O)Nc2ccccc2SC)CC1 ZINC000430924006 429724225 /nfs/dbraw/zinc/72/42/25/429724225.db2.gz HGGMFKAURKHWKH-UHFFFAOYSA-N 2 0 321.490 2.669 20 0 DFADRP [NH3+]C[C@H]1CC[N@H+](CCC(=O)Nc2ccccc2-c2ccccc2)C1 ZINC000430930658 429724585 /nfs/dbraw/zinc/72/45/85/429724585.db2.gz XYIYEAZBVRXNHN-MRXNPFEDSA-N 2 0 323.440 2.963 20 0 DFADRP CSc1ccccc1NC(=O)CC[NH+]1CCC([C@@H](C)[NH3+])CC1 ZINC000430935381 429727246 /nfs/dbraw/zinc/72/72/46/429727246.db2.gz PZVPKVWACWRCMV-CYBMUJFWSA-N 2 0 321.490 2.796 20 0 DFADRP CC(C)C[N@@H+]1CC[C@H](CNc2cc[nH+]cc2-c2cccnc2)C1 ZINC000367844457 429727865 /nfs/dbraw/zinc/72/78/65/429727865.db2.gz XBGDFJISKDONSR-MRXNPFEDSA-N 2 0 310.445 2.955 20 0 DFADRP Cc1ccc(NC(=O)[C@@H](C)[NH+]2CCC([C@@H](C)[NH3+])CC2)c(C)c1 ZINC000430948002 429728133 /nfs/dbraw/zinc/72/81/33/429728133.db2.gz GRYUPVXUROMGHG-HUUCEWRRSA-N 2 0 303.450 2.690 20 0 DFADRP Cc1cccc(C)c1NC(=O)[C@H](C)[NH+]1CCC([C@H](C)[NH3+])CC1 ZINC000430951297 429728986 /nfs/dbraw/zinc/72/89/86/429728986.db2.gz LDKVTTBCHBBKCC-GJZGRUSLSA-N 2 0 303.450 2.690 20 0 DFADRP CC[NH+]1CCN(CCC[NH2+]Cc2ccc(C(F)F)cc2)CC1 ZINC000527233026 429734501 /nfs/dbraw/zinc/73/45/01/429734501.db2.gz AYHSFHLCLGCEMO-UHFFFAOYSA-N 2 0 311.420 2.741 20 0 DFADRP FC1(C[NH2+]CCCC[NH+]2CCN(c3ccccc3)CC2)CC1 ZINC000527229736 429734717 /nfs/dbraw/zinc/73/47/17/429734717.db2.gz MMSYRFIACRUJPB-UHFFFAOYSA-N 2 0 305.441 2.681 20 0 DFADRP Cc1ccc(C)c(NC(=O)[C@@H](C)[NH+]2CCC3(CC[NH2+]C3)CC2)c1 ZINC000431038569 429736496 /nfs/dbraw/zinc/73/64/96/429736496.db2.gz DLQQLRKVYWMCCE-MRXNPFEDSA-N 2 0 315.461 2.706 20 0 DFADRP C[N@H+](CCNC(=O)[C@@H]1CCCCCC[C@H]1[NH3+])Cc1ccccc1 ZINC000431047080 429736898 /nfs/dbraw/zinc/73/68/98/429736898.db2.gz WRTMSRHKVFQABW-QZTJIDSGSA-N 2 0 317.477 2.532 20 0 DFADRP C[C@H]1C[C@H]([NH+]2CCCC2)CN1CC[N@H+](C)Cc1ccccc1 ZINC000450980925 429744044 /nfs/dbraw/zinc/74/40/44/429744044.db2.gz HCRCSOWOXNMIBM-HKUYNNGSSA-N 2 0 301.478 2.677 20 0 DFADRP COCCOc1ccc(C[N@@H+]2CCC[C@@H]3C[NH+](C)CC[C@H]32)cc1 ZINC000368135805 429796082 /nfs/dbraw/zinc/79/60/82/429796082.db2.gz RPTFQEDEMWZKTH-IEBWSBKVSA-N 2 0 318.461 2.628 20 0 DFADRP CC(C)C[C@]1(C)CCC[N@@H+]1CC(=O)NC1CC[NH+](C(C)C)CC1 ZINC000451293099 429805511 /nfs/dbraw/zinc/80/55/11/429805511.db2.gz UYSNJPWLBYOVNF-IBGZPJMESA-N 2 0 323.525 2.876 20 0 DFADRP CC[NH+]1CCN(c2ccc(C[NH2+][C@@H](C)[C@@H]3CC3(C)C)cn2)CC1 ZINC000486945073 429754818 /nfs/dbraw/zinc/75/48/18/429754818.db2.gz PYMVXMNIEGYNAT-RDJZCZTQSA-N 2 0 316.493 2.748 20 0 DFADRP C[C@@H]([NH2+]C[C@@H]1CCCN(C)[C@H]1c1ccnn1C)[C@H]1CC1(C)C ZINC000487023209 429760583 /nfs/dbraw/zinc/76/05/83/429760583.db2.gz CUUGNKXAYQNJAY-JYYAWHABSA-N 2 0 304.482 2.827 20 0 DFADRP COc1ccc(O)cc1[C@H](C)N1C[C@@H]2C[N@@H+]3CCCC[C@@H]3[C@H]2C1 ZINC000368020379 429768506 /nfs/dbraw/zinc/76/85/06/429768506.db2.gz VTQZZJZJMILZTE-DFEHZGFQSA-N 2 0 316.445 2.878 20 0 DFADRP COc1ccc(O)cc1[C@H](C)N1C[C@@H]2C[N@@H+]3CCCC[C@H]3[C@@H]2C1 ZINC000368020382 429768795 /nfs/dbraw/zinc/76/87/95/429768795.db2.gz VTQZZJZJMILZTE-ZZCKCESHSA-N 2 0 316.445 2.878 20 0 DFADRP Cc1noc(C2CCC([NH2+][C@H]3CCC[C@H]([NH+](C)C)C3)CC2)n1 ZINC000368032018 429771639 /nfs/dbraw/zinc/77/16/39/429771639.db2.gz WGZZFONZVSZIBF-CKUJCDMFSA-N 2 0 306.454 2.867 20 0 DFADRP C[C@@]1(F)CCC[N@H+](CCOCC[NH+]2CCC[C@](C)(F)C2)C1 ZINC000451116683 429771689 /nfs/dbraw/zinc/77/16/89/429771689.db2.gz SINCBJKSLDXREM-IYBDPMFKSA-N 2 0 304.425 2.651 20 0 DFADRP CCC[NH+]1CCC(NC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)CC1 ZINC000431615623 429773326 /nfs/dbraw/zinc/77/33/26/429773326.db2.gz YFXUAOJJQVOUGZ-SFHVURJKSA-N 2 0 321.509 2.774 20 0 DFADRP C[C@H]([NH2+]C1CCN(C2CC[NH+](C)CC2)CC1)[C@@H]1C[C@H]1C1CC1 ZINC000527650588 429773557 /nfs/dbraw/zinc/77/35/57/429773557.db2.gz QMYMOAOYHSLGDF-JVPBZIDWSA-N 2 0 305.510 2.569 20 0 DFADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+]Cc2ccc3cc[nH]c3c2)CC1 ZINC000527652757 429773767 /nfs/dbraw/zinc/77/37/67/429773767.db2.gz LETBJGQUYHJRFH-INIZCTEOSA-N 2 0 314.477 2.531 20 0 DFADRP O=C(NCCC[NH+]1CCCCC1)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC000431629664 429773853 /nfs/dbraw/zinc/77/38/53/429773853.db2.gz XTHLCAYAXOFNOW-GOSISDBHSA-N 2 0 321.509 2.776 20 0 DFADRP C[C@H](CNC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1)C[NH+]1CCCC1 ZINC000431724965 429779446 /nfs/dbraw/zinc/77/94/46/429779446.db2.gz XWCMKKKYDIZSOR-SJLPKXTDSA-N 2 0 321.509 2.632 20 0 DFADRP Cc1cn[nH]c1C[NH2+]CC1CC[NH+](CCc2ccccc2)CC1 ZINC000368093435 429785779 /nfs/dbraw/zinc/78/57/79/429785779.db2.gz QYRWLNJSEAOIQL-UHFFFAOYSA-N 2 0 312.461 2.762 20 0 DFADRP C[N@@H+]1CCCC[C@@H]1CCC(=O)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000431841391 429785924 /nfs/dbraw/zinc/78/59/24/429785924.db2.gz BWXUDSLUGJDTHX-ZWKOTPCHSA-N 2 0 321.509 2.585 20 0 DFADRP CSC1(C[NH2+]C[C@@H]2CCN(C)[C@H]2c2cccnc2)CCC1 ZINC000368111799 429790300 /nfs/dbraw/zinc/79/03/00/429790300.db2.gz ZXHMKEZKIHCWLR-HOTGVXAUSA-N 2 0 305.491 2.950 20 0 DFADRP O=C(NCC[NH+]1CCCCCC1)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC000431913956 429790363 /nfs/dbraw/zinc/79/03/63/429790363.db2.gz OVEZKGDDDBYCBA-SFHVURJKSA-N 2 0 321.509 2.776 20 0 DFADRP C[C@H]([NH2+]CC1(O)CC[NH+](Cc2ccccc2)CC1)[C@H]1CC12CC2 ZINC000527907421 429818013 /nfs/dbraw/zinc/81/80/13/429818013.db2.gz HYIXBQOPTOCLHO-FUHWJXTLSA-N 2 0 314.473 2.792 20 0 DFADRP C[C@@H]([NH2+]Cc1ccncc1OCCC[NH+](C)C)[C@@H]1CC12CC2 ZINC000527901676 429818242 /nfs/dbraw/zinc/81/82/42/429818242.db2.gz RVEVMNPOJJZPNQ-ZBFHGGJFSA-N 2 0 303.450 2.690 20 0 DFADRP C[C@@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)C=Cc1c[nH]cn1 ZINC000493729754 429818945 /nfs/dbraw/zinc/81/89/45/429818945.db2.gz UXAFBGXTFIJFOO-HLRDLLSLSA-N 2 0 324.428 2.546 20 0 DFADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]CC[C@@H]2CCCOC2)[C@H](C)C1 ZINC000527923655 429821082 /nfs/dbraw/zinc/82/10/82/429821082.db2.gz DIBWWEGRMVEJQJ-SQNIBIBYSA-N 2 0 312.498 2.530 20 0 DFADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@H](OC)c2cccc(OC)c2)[C@H](C)C1 ZINC000527921034 429821266 /nfs/dbraw/zinc/82/12/66/429821266.db2.gz PTVRZYZNJYKKBO-JLSDUUJJSA-N 2 0 306.450 2.703 20 0 DFADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@H](OC)c2cccc(OC)c2)[C@@H](C)C1 ZINC000527921035 429821811 /nfs/dbraw/zinc/82/18/11/429821811.db2.gz PTVRZYZNJYKKBO-WBAXXEDZSA-N 2 0 306.450 2.703 20 0 DFADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]C[C@@]1(C)COc2ccccc2O1 ZINC000527930045 429823737 /nfs/dbraw/zinc/82/37/37/429823737.db2.gz HDKZRAHYTNKBRZ-ADAWSYLGSA-N 2 0 304.434 2.535 20 0 DFADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC12CC(C1)CO2 ZINC000527976298 429828945 /nfs/dbraw/zinc/82/89/45/429828945.db2.gz DJKVKUAKERHXGE-ZTRSQXPZSA-N 2 0 300.446 2.666 20 0 DFADRP OC1CC(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]3CCC[C@@H]32)C1 ZINC000528019867 429836808 /nfs/dbraw/zinc/83/68/08/429836808.db2.gz UPBGDUFBYCPOKQ-WFAGLZIHSA-N 2 0 314.473 2.790 20 0 DFADRP C[NH+](C)[C@@H]1CCCN(Cc2cnn(-c3ccc(F)cc3)c2)CC1 ZINC000432789145 429841990 /nfs/dbraw/zinc/84/19/90/429841990.db2.gz PQWPORXHBALKRY-QGZVFWFLSA-N 2 0 316.424 2.928 20 0 DFADRP CC(C)N1CCc2nc(C[NH2+]CCCOC(F)F)sc2C1 ZINC000368476392 429854665 /nfs/dbraw/zinc/85/46/65/429854665.db2.gz CDLXXWMTNIBKTA-UHFFFAOYSA-N 2 0 319.421 2.629 20 0 DFADRP C[C@@H]([NH2+]Cc1ccc(C[NH+]2CCC(O)CC2)cc1)[C@H]1CC12CC2 ZINC000527859228 429809752 /nfs/dbraw/zinc/80/97/52/429809752.db2.gz OAUIBCOAPCAQPQ-DNVCBOLYSA-N 2 0 314.473 2.922 20 0 DFADRP C[C@H]([NH2+]Cc1ccccc1C[N@@H+]1CC[C@@H](O)C1)[C@H]1CC12CC2 ZINC000527886530 429814397 /nfs/dbraw/zinc/81/43/97/429814397.db2.gz KYJLESPCABVMNC-BMGDILEWSA-N 2 0 300.446 2.531 20 0 DFADRP C[N@@H+]1CC[C@H]([NH2+]CCCc2nc3ccccc3[nH]2)[C@@H]2CCC[C@@H]21 ZINC000368607119 429877516 /nfs/dbraw/zinc/87/75/16/429877516.db2.gz GVIRAFJLEKNDKG-MPGHIAIKSA-N 2 0 312.461 2.958 20 0 DFADRP C[NH+](C)CCC1CC[NH+]([C@@H]2CCN(C3CCCCC3)C2=O)CC1 ZINC000528350779 429878121 /nfs/dbraw/zinc/87/81/21/429878121.db2.gz FLFINFRCSKUSRD-GOSISDBHSA-N 2 0 321.509 2.584 20 0 DFADRP CSCCCCC[NH2+][C@@H]1CC[N@H+](C[C@@H]2CCCO2)C[C@@H]1C ZINC000368633106 429879635 /nfs/dbraw/zinc/87/96/35/429879635.db2.gz KULFRSITQPKKAV-YESZJQIVSA-N 2 0 314.539 2.999 20 0 DFADRP CC[N@@H+]1CC[C@H](C[NH2+][C@@H](C)C[C@@H](C)NC(=O)OC(C)(C)C)C1 ZINC000494555961 429880295 /nfs/dbraw/zinc/88/02/95/429880295.db2.gz SMMGORSVYHGWNK-RRFJBIMHSA-N 2 0 313.486 2.610 20 0 DFADRP OCc1ccc(F)c(CN2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000528421777 429886654 /nfs/dbraw/zinc/88/66/54/429886654.db2.gz BFPJLUUVKZVLAJ-DNVCBOLYSA-N 2 0 318.436 2.767 20 0 DFADRP C(CC[NH+]1CCO[C@H]2CCC[C@H]21)CC[N@@H+]1CCO[C@@H]2CCC[C@@H]21 ZINC000368736154 429891485 /nfs/dbraw/zinc/89/14/85/429891485.db2.gz NHGVHQXZZAXYKL-SEXKYXSUSA-N 2 0 322.493 2.663 20 0 DFADRP Cc1nccn1CCCC[N@@H+]1CCc2nc(C3CC3)ncc2C1 ZINC000528740737 429911812 /nfs/dbraw/zinc/91/18/12/429911812.db2.gz RSYWUHPLUVXEAX-UHFFFAOYSA-N 2 0 311.433 2.697 20 0 DFADRP C[C@@H]1C[C@@H]1c1ccc(C[NH2+][C@@H]2CCN(C3CC[NH+](C)CC3)C2)o1 ZINC000369278305 429922103 /nfs/dbraw/zinc/92/21/03/429922103.db2.gz QFWZBEZDQSFKPM-RKVPGOIHSA-N 2 0 317.477 2.661 20 0 DFADRP C[C@H](C[C@H](C)[NH2+]CC1CC[NH+](C)CC1)NC(=O)OC(C)(C)C ZINC000494466998 429874819 /nfs/dbraw/zinc/87/48/19/429874819.db2.gz DLPBHWQMYYVSLV-UONOGXRCSA-N 2 0 313.486 2.610 20 0 DFADRP CCc1noc(-c2ccc(CC[NH2+][C@@H]3CCC[C@@H]([NH3+])C3)cc2)n1 ZINC000573505696 429959174 /nfs/dbraw/zinc/95/91/74/429959174.db2.gz LEIXWBREKSFMHN-HZPDHXFCSA-N 2 0 314.433 2.701 20 0 DFADRP C[C@H]([NH2+]C[C@@H]1CSc2ccccc2O1)c1cnccc1N ZINC000573564769 429961084 /nfs/dbraw/zinc/96/10/84/429961084.db2.gz OZOIFERPZVDPGE-NWDGAFQWSA-N 2 0 301.415 2.698 20 0 DFADRP C[NH+](C)Cc1ccc(CNC(=O)CC[C@@H]2CCCC[N@@H+]2C)cc1 ZINC000558349930 429967998 /nfs/dbraw/zinc/96/79/98/429967998.db2.gz JZVBWUBFVAGTJN-SFHVURJKSA-N 2 0 317.477 2.629 20 0 DFADRP C[NH+]1CCC2(CC[N@H+](Cc3ccncc3Br)C2)CC1 ZINC000639754884 429970245 /nfs/dbraw/zinc/97/02/45/429970245.db2.gz BXGHMRXCUKDGDH-UHFFFAOYSA-N 2 0 324.266 2.762 20 0 DFADRP C[NH+]1CCC2(CC[N@H+](C[C@H](O)Cc3cccc(Cl)c3)C2)CC1 ZINC000639755397 429970364 /nfs/dbraw/zinc/97/03/64/429970364.db2.gz JUWHEHXJSGOKTP-QGZVFWFLSA-N 2 0 322.880 2.661 20 0 DFADRP CCC[NH+]1CCC(CNC(=O)Nc2ccc3c(c2)C[NH2+]C3)CC1 ZINC000573666480 429970534 /nfs/dbraw/zinc/97/05/34/429970534.db2.gz JISUMAYOUKHWDA-UHFFFAOYSA-N 2 0 316.449 2.533 20 0 DFADRP C[NH+]1CCC2(CC[N@H+](Cc3cc4ccccc4[nH]c3=O)C2)CC1 ZINC000639758178 429970464 /nfs/dbraw/zinc/97/04/64/429970464.db2.gz PWVSXWREZBMPKX-UHFFFAOYSA-N 2 0 311.429 2.858 20 0 DFADRP C[NH+]1CCC2(CC[N@H+](Cc3ccc(-n4ccnc4)cc3)C2)CC1 ZINC000639757168 429970997 /nfs/dbraw/zinc/97/09/97/429970997.db2.gz HZZZEJBJHALEEQ-UHFFFAOYSA-N 2 0 310.445 2.790 20 0 DFADRP C[NH+]1CCC2(CC[N@H+](CC(=O)Nc3ccc(Cl)cc3)C2)CC1 ZINC000639757313 429971346 /nfs/dbraw/zinc/97/13/46/429971346.db2.gz FUOQVVRYOYDDBH-UHFFFAOYSA-N 2 0 321.852 2.696 20 0 DFADRP C[NH+](C)[C@H](CNC1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccc(Cl)cc1 ZINC000573674922 429971639 /nfs/dbraw/zinc/97/16/39/429971639.db2.gz NPJAFGRNVODBTF-FCLJQHQZSA-N 2 0 307.869 2.815 20 0 DFADRP CCc1[nH+]c2ccccc2c(N2CC[NH+](C[C@H](C)O)CC2)c1C ZINC000573753016 429978713 /nfs/dbraw/zinc/97/87/13/429978713.db2.gz IMLMEVDVWLYNTC-AWEZNQCLSA-N 2 0 313.445 2.608 20 0 DFADRP CC(C)c1nc(CN(C)C[C@@H]2CCC[N@@H+]2C)c2ccccn21 ZINC000573125407 429929497 /nfs/dbraw/zinc/92/94/97/429929497.db2.gz GILNKJLBFIRRDJ-HNNXBMFYSA-N 2 0 300.450 2.984 20 0 DFADRP C[NH+](C)CCN1CCC([NH2+][C@@H]2CC(C)(C)Cc3occc32)CC1 ZINC000150966058 276761633 /nfs/dbraw/zinc/76/16/33/276761633.db2.gz CPUAFFAMJXSPMW-QGZVFWFLSA-N 2 0 319.493 2.909 20 0 DFADRP C[NH+](C)[C@@H]1CCN(Cc2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC000639805954 429986501 /nfs/dbraw/zinc/98/65/01/429986501.db2.gz OOODYGWISWDTQN-LJQANCHMSA-N 2 0 301.478 2.808 20 0 DFADRP C[N@@H+]1CCC[C@@H]2CN(Cc3ccc(-c4cc[nH]n4)o3)CC[C@H]21 ZINC000369484478 429954164 /nfs/dbraw/zinc/95/41/64/429954164.db2.gz NAOQWUYHIHUADR-CZUORRHYSA-N 2 0 300.406 2.586 20 0 DFADRP Cc1ccc(C[NH+]2CC[C@@H](C[N@@H+](C)CCC[C@H](C)O)C2)s1 ZINC000574330392 430031601 /nfs/dbraw/zinc/03/16/01/430031601.db2.gz UDNOKAHOGKJFAV-HOCLYGCPSA-N 2 0 310.507 2.971 20 0 DFADRP CCC1([NH+]2CCCC2)CCN([C@H](C)C(=O)NC(C)(C)C)CC1 ZINC000639988346 430046178 /nfs/dbraw/zinc/04/61/78/430046178.db2.gz PSCINLNEOVBTEA-OAHLLOKOSA-N 2 0 309.498 2.630 20 0 DFADRP CCC1([NH+]2CCCC2)CCN(CCc2cncc(C)n2)CC1 ZINC000639987857 430046947 /nfs/dbraw/zinc/04/69/47/430046947.db2.gz SMCZZDIOGRKGKB-UHFFFAOYSA-N 2 0 302.466 2.668 20 0 DFADRP CCC1([NH+]2CCCC2)CCN(C[C@@H](O)CC(F)(F)F)CC1 ZINC000639986763 430047028 /nfs/dbraw/zinc/04/70/28/430047028.db2.gz RERCCMJKGPMYAH-ZDUSSCGKSA-N 2 0 308.388 2.640 20 0 DFADRP C([NH2+][C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1)[C@@H]1CSCCS1 ZINC000253036312 276814806 /nfs/dbraw/zinc/81/48/06/276814806.db2.gz XEBIQWKTSITSEJ-LXTVHRRPSA-N 2 0 300.537 2.735 20 0 DFADRP c1cn(-c2ccc(C[N@@H+]3CCC[C@@H](n4ccnn4)CC3)cc2)cn1 ZINC000639846773 430000412 /nfs/dbraw/zinc/00/04/12/430000412.db2.gz YGCVFHGAQYVAAH-GOSISDBHSA-N 2 0 322.416 2.691 20 0 DFADRP COc1cc([C@H](C)[NH2+]CCCC[NH+]2C[C@H](C)O[C@@H](C)C2)ccn1 ZINC000559917486 430016703 /nfs/dbraw/zinc/01/67/03/430016703.db2.gz PUKYXZBMLWDNFG-JYJNAYRXSA-N 2 0 321.465 2.630 20 0 DFADRP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@@H+]2Cc1ccc2cc[nH]c2c1 ZINC000529537128 430023333 /nfs/dbraw/zinc/02/33/33/430023333.db2.gz PMZVVCKUMTVQKS-BHIYHBOVSA-N 2 0 313.445 2.851 20 0 DFADRP COCCCOc1cccc(C[NH2+][C@H]2CC[NH2+]CC(C)(C)C2)c1 ZINC000634732414 430093331 /nfs/dbraw/zinc/09/33/31/430093331.db2.gz GFQBSKYJXJUFTQ-KRWDZBQOSA-N 2 0 320.477 2.970 20 0 DFADRP COc1cccc2c1CC[C@H]([NH2+]C[C@@H]1CC[N@@H+](C(C)C)C1)C2 ZINC000561976898 430103365 /nfs/dbraw/zinc/10/33/65/430103365.db2.gz VVDHWBYHCRHFFB-RDJZCZTQSA-N 2 0 302.462 2.872 20 0 DFADRP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCC[N@@H+]2Cc2ncccc2Cl)C1 ZINC000530221541 430105262 /nfs/dbraw/zinc/10/52/62/430105262.db2.gz GFEGWVNPIPSIOX-KCXAZCMYSA-N 2 0 309.841 2.596 20 0 DFADRP CO[C@@H](Cc1ccc(F)cc1)C[NH+]1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000530225366 430105463 /nfs/dbraw/zinc/10/54/63/430105463.db2.gz YSEDVRWLBRLAJU-HKUYNNGSSA-N 2 0 320.452 2.705 20 0 DFADRP CO[C@H](Cc1ccc(F)cc1)C[N@@H+]1C[C@H](C[NH3+])[C@H](C)C[C@H]1C ZINC000530226140 430105526 /nfs/dbraw/zinc/10/55/26/430105526.db2.gz PXORYXYERMCMPF-AHEZYBDSSA-N 2 0 308.441 2.688 20 0 DFADRP CO[C@@H](Cc1ccc(F)cc1)C[NH+]1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000530225368 430106043 /nfs/dbraw/zinc/10/60/43/430106043.db2.gz YSEDVRWLBRLAJU-MJGOQNOKSA-N 2 0 320.452 2.705 20 0 DFADRP Cc1ccc(CC[NH+]2CCC(CO[C@@H]3CC[NH2+]C3)CC2)cc1 ZINC000530242398 430107522 /nfs/dbraw/zinc/10/75/22/430107522.db2.gz UHDXYLTYIFKGBZ-LJQANCHMSA-N 2 0 302.462 2.628 20 0 DFADRP CC(C)[C@@H]1CN(C[C@@]2(C)CC[NH2+]C2)CC[N@@H+]1Cc1ccccc1 ZINC000530245155 430107553 /nfs/dbraw/zinc/10/75/53/430107553.db2.gz UZLNOKQLQNXLPK-PMACEKPBSA-N 2 0 315.505 2.828 20 0 DFADRP CC[NH+](CC)Cc1cccc(NC(=O)[C@]23CCC[C@H]2C[NH2+]C3)c1 ZINC000634764808 430107694 /nfs/dbraw/zinc/10/76/94/430107694.db2.gz CBMSSKNBALGKMP-LPHOPBHVSA-N 2 0 315.461 2.857 20 0 DFADRP C[C@H](CC(=O)Nc1cccc(C(F)(F)F)c1)[NH2+]C[C@@H](C)C[NH3+] ZINC000560942853 430071888 /nfs/dbraw/zinc/07/18/88/430071888.db2.gz VWZOBEJHUCKCBI-WDEREUQCSA-N 2 0 317.355 2.607 20 0 DFADRP C[C@H]([NH2+]CCCc1cncn1C)c1ccc2[nH]c(=O)oc2c1 ZINC000640063366 430076498 /nfs/dbraw/zinc/07/64/98/430076498.db2.gz FKJOYFSZGCFXSY-NSHDSACASA-N 2 0 300.362 2.550 20 0 DFADRP [NH3+]CC1(CC(=O)Nc2cccc3c2CC[NH2+]C3)CCCCC1 ZINC000561181799 430079411 /nfs/dbraw/zinc/07/94/11/430079411.db2.gz VKZUPBDIMKCNLY-UHFFFAOYSA-N 2 0 301.434 2.570 20 0 DFADRP C[C@H]1C[C@@H](CC[NH2+]CC2(O)CCC2)C[N@@H+]1Cc1ccccc1 ZINC000580769673 430150593 /nfs/dbraw/zinc/15/05/93/430150593.db2.gz ZNUIQQRHVSCVTH-FUHWJXTLSA-N 2 0 302.462 2.792 20 0 DFADRP COc1nc2ccccc2cc1CN1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000580833730 430156836 /nfs/dbraw/zinc/15/68/36/430156836.db2.gz BKWYRGNVUNXJNE-IBGZPJMESA-N 2 0 311.429 2.819 20 0 DFADRP c1cnc2cccc(C[NH+]3CCN(c4cc[nH+]cc4)CC3)c2c1 ZINC000637876315 430158082 /nfs/dbraw/zinc/15/80/82/430158082.db2.gz KFECVOVWXWDRLK-UHFFFAOYSA-N 2 0 304.397 2.952 20 0 DFADRP CC(C)[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2CCCC[NH+]2C2CCCC2)C1 ZINC000562657788 430160614 /nfs/dbraw/zinc/16/06/14/430160614.db2.gz GZDCSTXFOKTTQP-WMZOPIPTSA-N 2 0 321.509 2.630 20 0 DFADRP C[C@@H]1CN(C2CC2)C[C@@H]1[NH2+]Cc1ccccc1Cn1ccnc1 ZINC000580978474 430167750 /nfs/dbraw/zinc/16/77/50/430167750.db2.gz CUXWQPNSNVIQJY-BEFAXECRSA-N 2 0 310.445 2.504 20 0 DFADRP c1cc(C[NH+]2CCCCC2)cc(-c2noc([C@H]3CC34C[NH2+]C4)n2)c1 ZINC000562741989 430176725 /nfs/dbraw/zinc/17/67/25/430176725.db2.gz YRGCUURPQJUIFQ-MRXNPFEDSA-N 2 0 324.428 2.799 20 0 DFADRP CC[C@H]([NH3+])C(=O)NCC1([NH2+][C@@H](C)c2ccccc2)CCCC1 ZINC000269269871 287926413 /nfs/dbraw/zinc/92/64/13/287926413.db2.gz RUCALALMYOYLAG-HOCLYGCPSA-N 2 0 303.450 2.504 20 0 DFADRP C[N@@H+]1CCC[C@@H](CC[NH2+]CCC(=O)Nc2cccc(Cl)c2)C1 ZINC000580554569 430134645 /nfs/dbraw/zinc/13/46/45/430134645.db2.gz XXJPHWYJTUOJGM-AWEZNQCLSA-N 2 0 323.868 2.990 20 0 DFADRP C[C@H](C[NH2+][C@H]1CCN([C@@H](C)c2ccccc2)C1)Cn1cccn1 ZINC000562490894 430138265 /nfs/dbraw/zinc/13/82/65/430138265.db2.gz FGRLJIYPMWZDFK-AOIWGVFYSA-N 2 0 312.461 2.944 20 0 DFADRP Cc1cccc(NC(=O)C[C@@H](C)[NH2+]C[C@]2(C)CCC[NH2+]C2)c1 ZINC000580638985 430141142 /nfs/dbraw/zinc/14/11/42/430141142.db2.gz AIOOGUYNPNFODR-CRAIPNDOSA-N 2 0 303.450 2.691 20 0 DFADRP CC[C@@H]1C[N@H+](Cc2cccc(-c3ccc(N)cc3)n2)CC[C@@H]1[NH3+] ZINC000634991260 430184821 /nfs/dbraw/zinc/18/48/21/430184821.db2.gz WONGYIOCCUWGII-KDOFPFPSSA-N 2 0 310.445 2.890 20 0 DFADRP C[NH+]1CCC2(CCC[N@H+](C[C@](C)(O)c3ccccc3)C2)CC1 ZINC000374073550 277036645 /nfs/dbraw/zinc/03/66/45/277036645.db2.gz BCCGWHCXLQFWSL-SFHVURJKSA-N 2 0 302.462 2.702 20 0 DFADRP C[NH+]1CCC2(CCC[N@@H+]2Cc2ccc3c(c2)OCCO3)CC1 ZINC000375513050 277038474 /nfs/dbraw/zinc/03/84/74/277038474.db2.gz UAHMMIWMMONWJC-UHFFFAOYSA-N 2 0 302.418 2.518 20 0 DFADRP C[C@@H]([NH3+])[C@@H]1CCC[N@H+](Cc2cccc(-c3ccc(N)cc3)n2)C1 ZINC000634991227 430185535 /nfs/dbraw/zinc/18/55/35/430185535.db2.gz VKRVUZRHEYZLJH-GDBMZVCRSA-N 2 0 310.445 2.890 20 0 DFADRP C[N@@H+]1CCCC[C@H]1CC[NH+]1CCCN2c3ccccc3C[C@@H]2C1 ZINC000289479860 277045933 /nfs/dbraw/zinc/04/59/33/277045933.db2.gz NZTXTLSOUQKHTP-RBUKOAKNSA-N 2 0 313.489 2.998 20 0 DFADRP CC[C@H]1C[N@H+](Cc2cccc(-c3ccc(N)cc3)n2)CC[C@H]1[NH3+] ZINC000634991259 430185651 /nfs/dbraw/zinc/18/56/51/430185651.db2.gz WONGYIOCCUWGII-KBXCAEBGSA-N 2 0 310.445 2.890 20 0 DFADRP C[N@@H+]1CCCN(CCC[NH2+][C@H]2CCSc3ccccc32)CC1 ZINC000246971736 277051462 /nfs/dbraw/zinc/05/14/62/277051462.db2.gz JNSUXPMYMNGBKD-KRWDZBQOSA-N 2 0 319.518 2.841 20 0 DFADRP Clc1ccccc1N1CC[C@@H](C[NH2+]CC23CC(C2)C[NH2+]3)C1 ZINC000634996177 430187629 /nfs/dbraw/zinc/18/76/29/430187629.db2.gz BTCICAGTGNJPOW-CBCUQQMYSA-N 2 0 305.853 2.508 20 0 DFADRP CC(=O)Nc1ccc(CC[NH2+][C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@H]32)cc1 ZINC000367738361 277073414 /nfs/dbraw/zinc/07/34/14/277073414.db2.gz UAKQOJXDCUMTIM-IPMKNSEASA-N 2 0 315.461 2.650 20 0 DFADRP CCO[C@@H]1C[C@@H]([NH2+]CC[C@@H]([NH3+])Cc2ccccc2)C12CCC2 ZINC000635007988 430194319 /nfs/dbraw/zinc/19/43/19/430194319.db2.gz QMOBBEKQZBUZPN-KZNAEPCWSA-N 2 0 302.462 2.884 20 0 DFADRP Nc1ccc(-c2cccc(C[NH2+][C@H]3CC34CC[NH2+]CC4)n2)cc1 ZINC000634995970 430188066 /nfs/dbraw/zinc/18/80/66/430188066.db2.gz VENYAIZIEOZIBJ-SFHVURJKSA-N 2 0 308.429 2.563 20 0 DFADRP [NH3+][C@@H]1CCC[C@@H]([NH2+][C@@H](CCO)c2ccc(Cl)c(F)c2)C1 ZINC000634997473 430188876 /nfs/dbraw/zinc/18/88/76/430188876.db2.gz LYRABVWDKBDISZ-JMSVASOKSA-N 2 0 300.805 2.762 20 0 DFADRP C[NH+]1CCN(CCC[NH2+][C@@H]2CCc3cc(Cl)ccc32)CC1 ZINC000129815640 277105292 /nfs/dbraw/zinc/10/52/92/277105292.db2.gz NJWBMHQFCMIZIG-QGZVFWFLSA-N 2 0 307.869 2.554 20 0 DFADRP CCCOc1c(C[N@@H+]2C[C@H](C)[C@H](C[NH3+])C2)cccc1OCC ZINC000635000444 430189474 /nfs/dbraw/zinc/18/94/74/430189474.db2.gz OKGWZOISWOPYQJ-GOEBONIOSA-N 2 0 306.450 2.901 20 0 DFADRP C[NH+]1CCN(c2cccc(Cl)c2C[NH2+][C@@H]2CC2(C)C)CC1 ZINC000356037289 277113659 /nfs/dbraw/zinc/11/36/59/277113659.db2.gz ASJQTXWCQHZFDN-MRXNPFEDSA-N 2 0 307.869 2.980 20 0 DFADRP C[C@H]1C[N@H+](Cc2cnn(Cc3ccccc3Cl)c2)C[C@H]1C[NH3+] ZINC000634999286 430189621 /nfs/dbraw/zinc/18/96/21/430189621.db2.gz RYWUTEZVSBYCFJ-XJKSGUPXSA-N 2 0 318.852 2.611 20 0 DFADRP COc1ccc(-c2ccncc2)cc1C[N@@H+]1C[C@H](C)[C@H](C[NH3+])C1 ZINC000634999160 430189782 /nfs/dbraw/zinc/18/97/82/430189782.db2.gz QUKWPTMCBLZQCN-KBXCAEBGSA-N 2 0 311.429 2.784 20 0 DFADRP C[C@H]1C[N@H+](Cc2ccccc2OCc2ccccn2)C[C@H]1C[NH3+] ZINC000634998614 430190614 /nfs/dbraw/zinc/19/06/14/430190614.db2.gz IMHRKBKFJCFKKR-DOTOQJQBSA-N 2 0 311.429 2.687 20 0 DFADRP C[C@@H]1CCCCN1C(=O)C[N@H+](C)CCCC[NH+]1CCCCC1 ZINC000640531426 430191223 /nfs/dbraw/zinc/19/12/23/430191223.db2.gz IMQSTNGGBUCIIS-QGZVFWFLSA-N 2 0 309.498 2.585 20 0 DFADRP CNC(=O)c1ccc(C[N@H+](C)CCCC[NH+]2CCCCC2)cc1 ZINC000640532089 430191469 /nfs/dbraw/zinc/19/14/69/430191469.db2.gz VYANIDAXJAOPQT-UHFFFAOYSA-N 2 0 317.477 2.744 20 0 DFADRP [NH3+][C@@H]1CCC[C@@H]1[NH2+][C@@H]1[C@@H]2Cc3c(cccc3Br)[C@@H]21 ZINC000635004075 430192098 /nfs/dbraw/zinc/19/20/98/430192098.db2.gz MZIKFKRQDDHZRZ-JSFFLRCESA-N 2 0 307.235 2.557 20 0 DFADRP Brc1ccc2c(c1)C[C@@H]1[C@H]2[C@H]1[NH2+]C[C@@H]1CCC[NH2+]C1 ZINC000635001345 430192177 /nfs/dbraw/zinc/19/21/77/430192177.db2.gz PUUVGCDRCLMDFW-XGVBPZLHSA-N 2 0 321.262 2.676 20 0 DFADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1CN[C@@H]1CCC[C@H]([NH3+])C1 ZINC000635002973 430192520 /nfs/dbraw/zinc/19/25/20/430192520.db2.gz CSRKHEKPSLYECV-XGXHKWSGSA-N 2 0 301.478 2.614 20 0 DFADRP C[C@@H](NC[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1C)[C@H]1CCC[NH2+]C1 ZINC000635005163 430193360 /nfs/dbraw/zinc/19/33/60/430193360.db2.gz RXNQACCTIKFPDT-JYBIWHBTSA-N 2 0 315.505 2.732 20 0 DFADRP Cc1ccc2c(c1)[C@H](Nc1cc(N3CC[NH2+]CC3)cc[nH+]1)CC2 ZINC000635007723 430193980 /nfs/dbraw/zinc/19/39/80/430193980.db2.gz GNQJSJBLEFOWTC-GOSISDBHSA-N 2 0 308.429 2.899 20 0 DFADRP Cc1cccc2c1CC[C@@H]2Nc1cc(N2CC[NH2+]CC2)cc[nH+]1 ZINC000635006680 430194020 /nfs/dbraw/zinc/19/40/20/430194020.db2.gz CHYJBVFWNZYSAA-SFHVURJKSA-N 2 0 308.429 2.899 20 0 DFADRP CCc1cc(N[C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)nc(C)n1 ZINC000542019062 430201154 /nfs/dbraw/zinc/20/11/54/430201154.db2.gz FFDBYDDLUFSIRI-DZGCQCFKSA-N 2 0 302.466 3.412 20 0 DFADRP C[C@@H](CCc1ccc2c(c1)OCO2)[NH2+][C@H]1CC[C@H](C[NH3+])CC1 ZINC000635009680 430195232 /nfs/dbraw/zinc/19/52/32/430195232.db2.gz ZABAJNNIIKECAP-BPUTZDHNSA-N 2 0 304.434 2.844 20 0 DFADRP C[C@H]([NH2+][C@@H]1CC[NH2+]CC(C)(C)C1)c1ccc(S(C)(=O)=O)cc1 ZINC000635010027 430195295 /nfs/dbraw/zinc/19/52/95/430195295.db2.gz IUSSLOZRWPSDRP-DZGCQCFKSA-N 2 0 324.490 2.519 20 0 DFADRP C[C@@H]([NH2+][C@H]1CC[NH2+]CC(C)(C)C1)c1ccc(-n2cncn2)cc1 ZINC000635012451 430195304 /nfs/dbraw/zinc/19/53/04/430195304.db2.gz UCCMLKHPQDQEJF-ZBFHGGJFSA-N 2 0 313.449 2.696 20 0 DFADRP C[C@H](CC(=O)Nc1ccccc1)[NH2+][C@H]1CC[NH2+]CC(C)(C)C1 ZINC000635012511 430195372 /nfs/dbraw/zinc/19/53/72/430195372.db2.gz UKCVKTBAFSVHMW-ZBFHGGJFSA-N 2 0 303.450 2.772 20 0 DFADRP C[C@@H]([NH2+][C@@H]1CC[NH2+]CC(C)(C)C1)c1ccc(-n2cncn2)cc1 ZINC000635012444 430195376 /nfs/dbraw/zinc/19/53/76/430195376.db2.gz UCCMLKHPQDQEJF-GDBMZVCRSA-N 2 0 313.449 2.696 20 0 DFADRP Cn1nccc1[C@@H]1CCC[C@H]([NH2+]Cc2cccc3c2CC[NH2+]C3)C1 ZINC000635011993 430195613 /nfs/dbraw/zinc/19/56/13/430195613.db2.gz RZOUZGDAYMHZOG-QAPCUYQASA-N 2 0 324.472 2.882 20 0 DFADRP C[C@@H]([NH2+][C@@H]1CC[NH2+]CC(C)(C)C1)c1ccc2[nH]c(=O)oc2c1 ZINC000635008237 430196455 /nfs/dbraw/zinc/19/64/55/430196455.db2.gz CPGGFGYGFMZQQR-DGCLKSJQSA-N 2 0 303.406 2.962 20 0 DFADRP Cn1nccc1[C@H]1CCC[C@@H]([NH2+]Cc2cccc3c2CC[NH2+]C3)C1 ZINC000635011992 430196671 /nfs/dbraw/zinc/19/66/71/430196671.db2.gz RZOUZGDAYMHZOG-MAUKXSAKSA-N 2 0 324.472 2.882 20 0 DFADRP C[C@H]([NH2+][C@@H]1CC[NH2+]CC(C)(C)C1)c1ccc(-n2cncn2)cc1 ZINC000635012446 430196722 /nfs/dbraw/zinc/19/67/22/430196722.db2.gz UCCMLKHPQDQEJF-GOEBONIOSA-N 2 0 313.449 2.696 20 0 DFADRP COCC[C@@H](C)[NH2+][C@H](C)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000126752355 277235439 /nfs/dbraw/zinc/23/54/39/277235439.db2.gz WWYFROKVYYUIJR-HUUCEWRRSA-N 2 0 323.456 2.653 20 0 DFADRP C[C@@H]([NH2+]CCc1c2ccccc2[nH]c1C(F)(F)F)C1C[NH2+]C1 ZINC000635024312 430200048 /nfs/dbraw/zinc/20/00/48/430200048.db2.gz WHSLDHBCDXAPRV-SNVBAGLBSA-N 2 0 311.351 2.927 20 0 DFADRP C[C@@H](Cc1ccsc1)[N@@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000542167429 430204988 /nfs/dbraw/zinc/20/49/88/430204988.db2.gz ONECYMUCPGKFFO-SOLBZPMBSA-N 2 0 321.534 2.637 20 0 DFADRP Cc1nn(-c2cc[nH+]cc2)cc1C[NH+]1CCC(n2ccnc2)CC1 ZINC000542466886 430211178 /nfs/dbraw/zinc/21/11/78/430211178.db2.gz CZHNAGHDDCANQW-UHFFFAOYSA-N 3 0 322.416 2.609 20 0 DFADRP COC(=O)C[C@@H]1CC[C@@H]([NH2+]CC2(C[NH+](C)C)CCCC2)[C@H]1C ZINC000354621686 277325771 /nfs/dbraw/zinc/32/57/71/277325771.db2.gz ASORJDUIYTUKIN-HRCADAONSA-N 2 0 310.482 2.676 20 0 DFADRP CC[NH2+][C@@H](C)C(=O)NCc1ccccc1C[N@@H+]1CCC[C@@H](C)C1 ZINC000638063369 430223372 /nfs/dbraw/zinc/22/33/72/430223372.db2.gz MFEUPTFGUXLJOJ-CVEARBPZSA-N 2 0 317.477 2.533 20 0 DFADRP CC[NH2+][C@@H](C)C(=O)Nc1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000638064377 430223804 /nfs/dbraw/zinc/22/38/04/430223804.db2.gz SUKINPZQDORATK-GJZGRUSLSA-N 2 0 303.450 2.855 20 0 DFADRP CC[NH2+][C@@H](C)C(=O)NCc1ccc(C[N@@H+]2CCCC[C@H]2C)cc1 ZINC000638064388 430224395 /nfs/dbraw/zinc/22/43/95/430224395.db2.gz SYRZBCWDJNEKQI-CVEARBPZSA-N 2 0 317.477 2.675 20 0 DFADRP CC[N@H+](C)C[C@H]1CC[NH+](C[C@H]2CCN(c3ccccc3)C2)C1 ZINC000638133947 430248932 /nfs/dbraw/zinc/24/89/32/430248932.db2.gz LTDZBZNCGSHYJO-QZTJIDSGSA-N 2 0 301.478 2.787 20 0 DFADRP C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)[C@@H]1CC[NH+]1C1CCCC1 ZINC000635323715 430255431 /nfs/dbraw/zinc/25/54/31/430255431.db2.gz AVQBCCSJEIJFOC-AEFFLSMTSA-N 2 0 321.509 2.774 20 0 DFADRP COc1cccc(C)c1C[N@@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@@H]21 ZINC000638183613 430265291 /nfs/dbraw/zinc/26/52/91/430265291.db2.gz VGEUBPCFWIXZFU-VDZJLULYSA-N 2 0 318.461 2.687 20 0 DFADRP COc1cc2c(cc1CN1CC[C@@]3(CC[N@H+](C)C3)C1)O[C@@H](C)C2 ZINC000582099169 430267714 /nfs/dbraw/zinc/26/77/14/430267714.db2.gz NRNBETDUFKYWNY-IFXJQAMLSA-N 2 0 316.445 2.546 20 0 DFADRP CC[N@H+](C)Cc1cccc(CNC(=O)[C@@H]([NH3+])CCC(C)C)c1 ZINC000638078841 430228103 /nfs/dbraw/zinc/22/81/03/430228103.db2.gz HAWMBHIXABSGRP-KRWDZBQOSA-N 2 0 305.466 2.518 20 0 DFADRP COc1cc(F)c(C[NH2+]CCCC[N@H+](C)C2CC2)cc1OC ZINC000581671001 430230838 /nfs/dbraw/zinc/23/08/38/430230838.db2.gz CEAQCVCUNDYVCH-UHFFFAOYSA-N 2 0 310.413 2.807 20 0 DFADRP C[C@@H](CCC[NH3+])[NH2+]CCNc1ncc(C(F)(F)F)cc1Cl ZINC000565945097 430233808 /nfs/dbraw/zinc/23/38/08/430233808.db2.gz OGVJPYUMTMGZIN-VIFPVBQESA-N 2 0 324.778 2.883 20 0 DFADRP CC[N@@H+]1CC[C@@H](N(C)Cc2ccnn2CC2CCC2)C[C@H]1C ZINC000638109502 430237742 /nfs/dbraw/zinc/23/77/42/430237742.db2.gz FUWPYWJQXVTZFH-NVXWUHKLSA-N 2 0 304.482 2.988 20 0 DFADRP Cc1c(F)cccc1NC(=O)CC[NH2+]CC[C@H]1CCC[N@@H+](C)C1 ZINC000566119043 430240268 /nfs/dbraw/zinc/24/02/68/430240268.db2.gz OXNKOMQPMCXXJD-OAHLLOKOSA-N 2 0 321.440 2.784 20 0 DFADRP C[C@H]([NH2+]C[C@@H]1CCC[C@H]([NH3+])C1)c1ccc2c(c1)CCC(=O)N2 ZINC000566092651 430241355 /nfs/dbraw/zinc/24/13/55/430241355.db2.gz FHMSEGAOPZZAGD-ZENOOKHLSA-N 2 0 301.434 2.739 20 0 DFADRP C[C@H]1C[C@H](C)C[NH+](C(C)(C)CNC(=O)CCCC[NH+](C)C)C1 ZINC000582316886 430289186 /nfs/dbraw/zinc/28/91/86/430289186.db2.gz KJKURNXSFWCZGF-HOTGVXAUSA-N 2 0 311.514 2.591 20 0 DFADRP C[C@@H]([NH2+]Cc1ccc(C[NH+]2CCC(O)CC2)cc1)[C@@H]1CC1(F)F ZINC000638272789 430290313 /nfs/dbraw/zinc/29/03/13/430290313.db2.gz CHKYJUVOAYIMCL-DYVFJYSZSA-N 2 0 324.415 2.777 20 0 DFADRP CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)[C@H]([NH3+])CCC(C)C ZINC000638273971 430292277 /nfs/dbraw/zinc/29/22/77/430292277.db2.gz DZPCZBFVYZWUHT-GOSISDBHSA-N 2 0 319.493 2.860 20 0 DFADRP C[C@H]1C[C@H]([NH2+]Cc2ccc(C[NH+]3CCC(O)CC3)cc2)CS1 ZINC000638274435 430292802 /nfs/dbraw/zinc/29/28/02/430292802.db2.gz OLECZUIDNIZLPG-YOEHRIQHSA-N 2 0 320.502 2.627 20 0 DFADRP CC[NH+]1CCC(C[NH2+][C@@H](C)c2ccccc2-n2ccnn2)CC1 ZINC000582436444 430300097 /nfs/dbraw/zinc/30/00/97/430300097.db2.gz RIFITMAPRGXUGJ-HNNXBMFYSA-N 2 0 313.449 2.650 20 0 DFADRP COc1cc(C[C@@H](C)[NH2+]C2CC[NH+](CC(C)C)CC2)ccn1 ZINC000638348548 430312099 /nfs/dbraw/zinc/31/20/99/430312099.db2.gz OFGSYPRAGLLASC-OAHLLOKOSA-N 2 0 305.466 2.731 20 0 DFADRP COCC1(C[NH2+]Cc2cccc(OCC[NH+](C)C)c2)CCC1 ZINC000638381748 430325771 /nfs/dbraw/zinc/32/57/71/430325771.db2.gz OIRMNKNOFYPHMF-UHFFFAOYSA-N 2 0 306.450 2.533 20 0 DFADRP C[NH+](C)[C@H](CNC(=O)[C@@H]1CCCC[N@@H+]1C)c1ccc(Cl)cc1 ZINC000635638197 430332656 /nfs/dbraw/zinc/33/26/56/430332656.db2.gz QZWNSKZQUGKYJV-JKSUJKDBSA-N 2 0 323.868 2.543 20 0 DFADRP C[C@H]1CN(Cc2cccc(C[NH2+]CCC[C@@H]3CCO3)c2)CCO1 ZINC000638421481 430337022 /nfs/dbraw/zinc/33/70/22/430337022.db2.gz WNFBZIZMHVSTNI-QFBILLFUSA-N 2 0 318.461 2.566 20 0 DFADRP C[C@@H](CC(=O)N(C)c1ccccc1)[NH2+]CC1(C)CC[NH+](C)CC1 ZINC000272594144 277558808 /nfs/dbraw/zinc/55/88/08/277558808.db2.gz SJNZECOGFVBTJX-INIZCTEOSA-N 2 0 317.477 2.750 20 0 DFADRP CO[C@@H](C[NH2+]C[C@H]1CCCN(Cc2cccs2)C1)C1CC1 ZINC000638447230 430344581 /nfs/dbraw/zinc/34/45/81/430344581.db2.gz HXWRDRVCDQQWHM-PBHICJAKSA-N 2 0 308.491 2.975 20 0 DFADRP C[C@H](O)C[N@@H+](Cc1ccccc1)C[C@H](C[NH3+])c1ccc(F)cc1 ZINC000582899480 430345751 /nfs/dbraw/zinc/34/57/51/430345751.db2.gz PHQXMHCGVAWRHN-YJBOKZPZSA-N 2 0 316.420 2.751 20 0 DFADRP C[N@@H+]1CCN(CC[NH2+][C@@H]2CCc3c2cccc3Cl)CC1(C)C ZINC000568351106 430347103 /nfs/dbraw/zinc/34/71/03/430347103.db2.gz ODSBKECODKUPIH-QGZVFWFLSA-N 2 0 321.896 2.943 20 0 DFADRP C[C@@H]1C[C@H](CN(Cc2ccccc2)[C@@H]2CCC[NH2+]C2)CC[NH2+]1 ZINC000583630692 430413210 /nfs/dbraw/zinc/41/32/10/430413210.db2.gz OYLMZVBHISYSKK-BHIYHBOVSA-N 2 0 301.478 2.629 20 0 DFADRP C[C@@H](C[NH2+]C1CC[NH+](CC(C)(C)O)CC1)Sc1ccccc1 ZINC000638704361 430414462 /nfs/dbraw/zinc/41/44/62/430414462.db2.gz HAPKHKOURLSWAA-HNNXBMFYSA-N 2 0 322.518 2.992 20 0 DFADRP CCC[N@H+](C)C[C@@H]1CCN(C(=O)CC[NH+](C)C2CCCCC2)C1 ZINC000547733018 430416786 /nfs/dbraw/zinc/41/67/86/430416786.db2.gz KFQXNSWUVACRQX-KRWDZBQOSA-N 2 0 323.525 2.831 20 0 DFADRP C[C@H]([NH2+]Cc1ccccc1C[NH+]1CCC(O)CC1)[C@@H]1CC1(F)F ZINC000638721441 430416893 /nfs/dbraw/zinc/41/68/93/430416893.db2.gz ZKUHACIGMNJGTK-GUYCJALGSA-N 2 0 324.415 2.777 20 0 DFADRP Fc1ccc2c(c1)C[C@@H]([NH2+]C1CC[NH+](CC3CC3)CC1)CO2 ZINC000568438569 430358058 /nfs/dbraw/zinc/35/80/58/430358058.db2.gz YVECOTOXEFPTCW-QGZVFWFLSA-N 2 0 304.409 2.593 20 0 DFADRP CC(C)CC[NH+]1CCC(C[NH2+][C@@H](C)C[C@H]2CCCC(=O)N2)CC1 ZINC000638722061 430417022 /nfs/dbraw/zinc/41/70/22/430417022.db2.gz OAQLHIOOWJFCLC-FUHWJXTLSA-N 2 0 323.525 2.781 20 0 DFADRP CCCC[NH+]1CCC([NH2+]CCC(=O)Nc2ccccc2)CC1 ZINC000583079729 430361433 /nfs/dbraw/zinc/36/14/33/430361433.db2.gz IZHWOVWDILLSMH-UHFFFAOYSA-N 2 0 303.450 2.869 20 0 DFADRP CC(C)C[C@H]1CCC[C@H]([NH2+]Cc2nnc(C3CC[NH2+]CC3)[nH]2)C1 ZINC000568501084 430363898 /nfs/dbraw/zinc/36/38/98/430363898.db2.gz CSYXRJPWZHESKX-ZBFHGGJFSA-N 2 0 319.497 2.966 20 0 DFADRP CC(C)(O)C[NH+]1CCC([NH2+]CC(C)(C)c2ccc(F)cc2)CC1 ZINC000638520332 430365139 /nfs/dbraw/zinc/36/51/39/430365139.db2.gz IWKNDNHRRNGETN-UHFFFAOYSA-N 2 0 322.468 2.928 20 0 DFADRP Cc1ccc(-c2n[nH]cc2C[NH2+][C@@H]2C[C@H]2C2CC[NH2+]CC2)cc1 ZINC000583131890 430367320 /nfs/dbraw/zinc/36/73/20/430367320.db2.gz CKYHHKIWXXITBU-ZWKOTPCHSA-N 2 0 310.445 2.863 20 0 DFADRP c1cnn(C2CC([NH2+]C[C@@H]3CC[N@@H+](CCc4ccccc4)C3)C2)c1 ZINC000638521780 430367332 /nfs/dbraw/zinc/36/73/32/430367332.db2.gz OUNKBOQUFJWJII-HDYDNRTBSA-N 2 0 324.472 2.741 20 0 DFADRP Cc1ccccc1OCCC[NH2+]C1CC[NH+](CC(C)(C)O)CC1 ZINC000638542497 430371634 /nfs/dbraw/zinc/37/16/34/430371634.db2.gz YTSMEBSWWRTCAS-UHFFFAOYSA-N 2 0 320.477 2.589 20 0 DFADRP C[C@@H]([NH2+]Cc1ccnc(N2CCCCC2)c1)[C@@H]1CCC[NH2+]C1 ZINC000568617102 430373910 /nfs/dbraw/zinc/37/39/10/430373910.db2.gz GRQUWGILFWFWGD-NVXWUHKLSA-N 2 0 302.466 2.550 20 0 DFADRP CCC[C@@H](NC(=O)C[NH+]1CCC(CC[NH3+])CC1)c1ccccc1 ZINC000583209157 430374772 /nfs/dbraw/zinc/37/47/72/430374772.db2.gz GENHIXKFPIJHMJ-GOSISDBHSA-N 2 0 317.477 2.705 20 0 DFADRP CC[N@H+](C)Cc1cccc(C[NH2+]Cc2c[nH]c3ncncc23)c1 ZINC000638564244 430376688 /nfs/dbraw/zinc/37/66/88/430376688.db2.gz XDAIBDUJKGWJBZ-UHFFFAOYSA-N 2 0 309.417 2.651 20 0 DFADRP C[C@H](NC(=O)C[N@H+](C)CC(C)(C)C)[C@H]1CCC[NH+](C2CCC2)C1 ZINC000635787422 430377667 /nfs/dbraw/zinc/37/76/67/430377667.db2.gz MVQNVGYSKDVEBD-HOTGVXAUSA-N 2 0 323.525 2.734 20 0 DFADRP CO[C@H](C[NH2+]C[C@@H]1CCC[N@@H+](C(C)C)C1)Cc1ccccc1 ZINC000638566785 430378285 /nfs/dbraw/zinc/37/82/85/430378285.db2.gz QNBPYVYDEKYWEH-OALUTQOASA-N 2 0 304.478 2.954 20 0 DFADRP CC1=C(C)C[C@H]([C@H](C)[NH2+]CCC[N@@H+]2CCC[C@@H](C(N)=O)C2)CC1 ZINC000638570843 430378586 /nfs/dbraw/zinc/37/85/86/430378586.db2.gz HRVBDHCFBUMRTK-RCCFBDPRSA-N 2 0 321.509 2.688 20 0 DFADRP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)c1ccc(C[N@H+](CC)C(C)C)cc1 ZINC000638571977 430380038 /nfs/dbraw/zinc/38/00/38/430380038.db2.gz CLQOWMMOCCFLPI-ZWKOTPCHSA-N 2 0 317.477 2.787 20 0 DFADRP C[NH+](C)C1CC(NCc2c[nH]nc2-c2ccc(Cl)cc2)C1 ZINC000583332299 430386014 /nfs/dbraw/zinc/38/60/14/430386014.db2.gz BWOCMUAEEWOJGP-UHFFFAOYSA-N 2 0 304.825 2.912 20 0 DFADRP CCc1c[nH]c(CC(=O)N(C)C(C)(C)C[NH+]2CCCCCC2)n1 ZINC000635820164 430387107 /nfs/dbraw/zinc/38/71/07/430387107.db2.gz MONTVHDWQHDNGS-UHFFFAOYSA-N 2 0 320.481 2.628 20 0 DFADRP OC[C@@H]1CCC[N@@H+]1Cc1ccccc1C[NH2+][C@H]1CCC[C@H]2C[C@H]21 ZINC000568770011 430392586 /nfs/dbraw/zinc/39/25/86/430392586.db2.gz ZPTOHBKMNUKPLZ-QLIIJSOBSA-N 2 0 314.473 2.922 20 0 DFADRP CO[C@H](C[NH2+]CC[C@H](C)[N@H+](C)Cc1ccccc1)[C@@H]1CCOC1 ZINC000638725669 430418213 /nfs/dbraw/zinc/41/82/13/430418213.db2.gz HEIRFMXWRIYNLX-QXAKKESOSA-N 2 0 320.477 2.538 20 0 DFADRP CC(C)(C)c1nnc(CN[C@H]2CC[NH2+][C@@H](c3ccccc3)C2)[nH]1 ZINC000568868791 430399828 /nfs/dbraw/zinc/39/98/28/430399828.db2.gz LBIDYSVBSDVROZ-LSDHHAIUSA-N 2 0 313.449 2.685 20 0 DFADRP CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)c1ccccc1CC[NH3+] ZINC000568894382 430404608 /nfs/dbraw/zinc/40/46/08/430404608.db2.gz KTMZPZJSTXDLPM-QGZVFWFLSA-N 2 0 317.477 2.572 20 0 DFADRP C[C@H]([NH2+]CC1(N2CCCCC2)CC[NH+](C)CC1)[C@H]1CC1(F)F ZINC000638693482 430410388 /nfs/dbraw/zinc/41/03/88/430410388.db2.gz UFFHAYVXOAUCCW-LSDHHAIUSA-N 2 0 315.452 2.570 20 0 DFADRP C[C@@H]([NH2+]CC1(N2CCCCC2)CC[NH+](C)CC1)[C@H]1CC1(F)F ZINC000638693481 430411086 /nfs/dbraw/zinc/41/10/86/430411086.db2.gz UFFHAYVXOAUCCW-HUUCEWRRSA-N 2 0 315.452 2.570 20 0 DFADRP C[C@@H]1CCCC[N@@H+]1CCC1CCN(C(=O)[C@]2(C)CCC[NH2+]2)CC1 ZINC000583937176 430442513 /nfs/dbraw/zinc/44/25/13/430442513.db2.gz CENJTQFNFHLCCM-APWZRJJASA-N 2 0 321.509 2.632 20 0 DFADRP C[C@@H](CNC(=O)CC[N@H+](C)C1CCCCC1)[NH+]1CCC[C@H](C)C1 ZINC000548061033 430442900 /nfs/dbraw/zinc/44/29/00/430442900.db2.gz PFVSOGDKBFHUOX-IRXDYDNUSA-N 2 0 323.525 2.878 20 0 DFADRP C[C@@H]1C[N@@H+]2CCCC[C@@H]2CN1C(=O)CC[NH+](C)C1CCCCC1 ZINC000548061407 430443874 /nfs/dbraw/zinc/44/38/74/430443874.db2.gz ULSQHDZGZPZPFW-SJLPKXTDSA-N 2 0 321.509 2.726 20 0 DFADRP CN(C(=O)CC[C@H]([NH3+])CC1CCCCC1)[C@@H]1C[NH+]2CCC1CC2 ZINC000638853444 430456092 /nfs/dbraw/zinc/45/60/92/430456092.db2.gz GSPJSOAENQANCW-ZWKOTPCHSA-N 2 0 321.509 2.617 20 0 DFADRP Cc1ccccc1C[NH+]1CCC(N[C@@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000584063988 430457002 /nfs/dbraw/zinc/45/70/02/430457002.db2.gz KKMHNGBKZGONMB-PKOBYXMFSA-N 2 0 301.478 2.819 20 0 DFADRP CCC1([NH+]2CCCC2)CCN(C(=O)C2([NH2+]C3CC3)CCC2)CC1 ZINC000638862692 430458798 /nfs/dbraw/zinc/45/87/98/430458798.db2.gz ZVHJZTGFJNWRMG-UHFFFAOYSA-N 2 0 319.493 2.528 20 0 DFADRP OCCCN1CCC[C@@H]1C[NH2+][C@@H]1CCc2c1cccc2Cl ZINC000584154788 430463621 /nfs/dbraw/zinc/46/36/21/430463621.db2.gz CKJFZHMRRRLMNE-CXAGYDPISA-N 2 0 308.853 2.764 20 0 DFADRP C[N@H+](CCC(=O)NC[C@@H]1CCCn2ccnc21)C1CCCCC1 ZINC000548392828 430470130 /nfs/dbraw/zinc/47/01/30/430470130.db2.gz HDRVJIRHEQJMEQ-HNNXBMFYSA-N 2 0 318.465 2.531 20 0 DFADRP O=C([C@@H]1CCCCC[NH2+]1)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000569608577 430471568 /nfs/dbraw/zinc/47/15/68/430471568.db2.gz KPAITGHMDSGPNO-MSOLQXFVSA-N 2 0 321.509 2.633 20 0 DFADRP CC1(C)[C@@H]([NH3+])C[C@@H]1[NH2+]Cc1ccc(OCc2cccnc2)cc1 ZINC000641801351 430476331 /nfs/dbraw/zinc/47/63/31/430476331.db2.gz BNDGVYYOGNKNGI-ROUUACIJSA-N 2 0 311.429 2.876 20 0 DFADRP CCCc1cccc(C[NH2+]CCCC[NH+]2CCN(C)CC2)c1 ZINC000548477837 430479400 /nfs/dbraw/zinc/47/94/00/430479400.db2.gz BCKBRXGHLHBSTI-UHFFFAOYSA-N 2 0 303.494 2.756 20 0 DFADRP COc1cc(C[C@@H](C)[NH2+]C2CCC(C[NH+](C)C)CC2)ccn1 ZINC000638779817 430432054 /nfs/dbraw/zinc/43/20/54/430432054.db2.gz MWTIJYNURQHCBB-HPUBIQBYSA-N 2 0 305.466 2.731 20 0 DFADRP C[C@H](CCCC[NH3+])[NH2+][C@H](CO)c1ccc(C(F)(F)F)cc1 ZINC000569211918 430432871 /nfs/dbraw/zinc/43/28/71/430432871.db2.gz VLNNMBVXAQOBGM-BXUZGUMPSA-N 2 0 304.356 2.846 20 0 DFADRP C[NH+](C)[C@H]1CCc2cc(NC(=O)C[C@H]3CC[N@H+](C)C3)ccc21 ZINC000635997362 430433058 /nfs/dbraw/zinc/43/30/58/430433058.db2.gz UTTCSUOACMCFIR-DYVFJYSZSA-N 2 0 301.434 2.516 20 0 DFADRP CCC(CC)[C@@H](CC[NH2+]C1CC[NH+](CC(C)(C)O)CC1)OC ZINC000638785291 430433301 /nfs/dbraw/zinc/43/33/01/430433301.db2.gz UTCQIEMBUHBCTK-QGZVFWFLSA-N 2 0 314.514 2.653 20 0 DFADRP CCC[C@@H](C[NH+]1CCC(CCC[NH+]2CCOCC2)CC1)OC ZINC000638957578 430482498 /nfs/dbraw/zinc/48/24/98/430482498.db2.gz KDJFLNZWLNQIEY-SFHVURJKSA-N 2 0 312.498 2.626 20 0 DFADRP C[C@@H]1C[C@H]([NH2+]Cc2ccccc2C[N@@H+]2CCC[C@@H]2CO)CS1 ZINC000638971286 430485311 /nfs/dbraw/zinc/48/53/11/430485311.db2.gz QWDWLTQQVNRVFS-FHLIZLRMSA-N 2 0 320.502 2.627 20 0 DFADRP CCC1([NH+](C)C)CCN(C(=O)c2ccc([C@H](C)[NH3+])cc2)CC1 ZINC000638980939 430486797 /nfs/dbraw/zinc/48/67/97/430486797.db2.gz PHJGTCXDHCEWKC-AWEZNQCLSA-N 2 0 303.450 2.653 20 0 DFADRP CCC(CC)(CC)C(=O)Nc1cc(N2CC[NH2+]CC2)cc[nH+]1 ZINC000638985636 430487846 /nfs/dbraw/zinc/48/78/46/430487846.db2.gz BUOHRLNCNADQPP-UHFFFAOYSA-N 2 0 304.438 2.646 20 0 DFADRP C[C@@H](CC(=O)Nc1cc(N2CC[NH2+]CC2)cc[nH+]1)c1ccccc1 ZINC000638987700 430488194 /nfs/dbraw/zinc/48/81/94/430488194.db2.gz WRUFUBPXLAOZIY-HNNXBMFYSA-N 2 0 324.428 2.624 20 0 DFADRP C[C@@H]1CC[N@H+](CCN[C@@H]2CC[NH+](C)[C@H](c3ccccc3)C2)C1 ZINC000569832405 430490511 /nfs/dbraw/zinc/49/05/11/430490511.db2.gz YAGKELRFMASNDV-QRQLOZEOSA-N 2 0 301.478 2.753 20 0 DFADRP CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)CC[NH+](C)C1CCCCC1 ZINC000548716639 430493727 /nfs/dbraw/zinc/49/37/27/430493727.db2.gz QMOPNOZQSLINMU-FUHWJXTLSA-N 2 0 321.509 2.726 20 0 DFADRP C[N@H+](CCC(=O)N1CC[C@@H]2[C@H](CCC[NH+]2C)C1)C1CCCCC1 ZINC000548719915 430494880 /nfs/dbraw/zinc/49/48/80/430494880.db2.gz TWCFTKWVQFXACP-SJLPKXTDSA-N 2 0 321.509 2.584 20 0 DFADRP Fc1ccc2oc(C[N@@H+]3CCC[C@@H]3Cn3ccnc3)nc2c1 ZINC000639042741 430501020 /nfs/dbraw/zinc/50/10/20/430501020.db2.gz JGUYJQSWTVQSNL-CYBMUJFWSA-N 2 0 300.337 2.828 20 0 DFADRP Cn1cc(-c2ccc(C[NH2+]C[C@H]3CCC[N@H+](C)C3)s2)cn1 ZINC000548872276 430506517 /nfs/dbraw/zinc/50/65/17/430506517.db2.gz OTJRTKYSNMDDGO-CYBMUJFWSA-N 2 0 304.463 2.580 20 0 DFADRP C[C@H]([NH2+]CCCC[NH+]1CCN(C)CC1)[C@@H]1C[C@H]1c1ccccc1 ZINC000549143397 430519955 /nfs/dbraw/zinc/51/99/55/430519955.db2.gz GLHWNYVURCFZEQ-IHPCNDPISA-N 2 0 315.505 2.796 20 0 DFADRP Cc1cnn(CC2CC[NH+](Cc3ccc4c(c3)C[NH2+]CC4)CC2)c1 ZINC000570286172 430529552 /nfs/dbraw/zinc/52/95/52/430529552.db2.gz NZNYQGCRUSUEOY-UHFFFAOYSA-N 2 0 324.472 2.749 20 0 DFADRP CN(C[C@H](O)C[NH2+][C@H]1CC[C@@H](c2ccc(F)cc2)C1)C1CC1 ZINC000570325405 430533449 /nfs/dbraw/zinc/53/34/49/430533449.db2.gz WTGOIALFYZLSNH-UWWQBHOKSA-N 2 0 306.425 2.507 20 0 DFADRP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+][C@H]1Cc2cccc(O)c2C1 ZINC000570348809 430535675 /nfs/dbraw/zinc/53/56/75/430535675.db2.gz ZBSWONRKJPDNDV-INIZCTEOSA-N 2 0 320.396 2.538 20 0 DFADRP CC(C)Oc1ccc2[nH+]ccc(N3CCO[C@H]([C@H](C)[NH3+])C3)c2c1 ZINC000643018378 430541987 /nfs/dbraw/zinc/54/19/87/430541987.db2.gz ZXRUNXJVQHYGCJ-UGSOOPFHSA-N 2 0 315.417 2.574 20 0 DFADRP C[C@H](C[C@H]1CCCC(=O)N1)[NH2+]C[C@H]1CCC[N@@H+]1C1CCCCC1 ZINC000639133000 430537403 /nfs/dbraw/zinc/53/74/03/430537403.db2.gz FZXYALXXNRKXGI-JFIYKMOQSA-N 2 0 321.509 2.820 20 0 DFADRP O=C(CCN[C@H]1CC[N@@H+]2CCCC[C@H]12)Nc1cccc(Cl)c1 ZINC000570391242 430539813 /nfs/dbraw/zinc/53/98/13/430539813.db2.gz PLHSMIZOOAFJEG-JKSUJKDBSA-N 2 0 321.852 2.885 20 0 DFADRP C[C@@H]1CCN(CC[NH2+][C@H]2CCCN(Cc3ccccc3)[C@@H]2C)C1 ZINC000551034900 430548806 /nfs/dbraw/zinc/54/88/06/430548806.db2.gz UZHXWEGUFIGNBB-GGPKGHCWSA-N 2 0 315.505 2.971 20 0 DFADRP Cc1ncc([C@@H](C)[N@@H+]2CC[C@@H](C3CC[NH+](C)CC3)C2)c(C)n1 ZINC000639177353 430556330 /nfs/dbraw/zinc/55/63/30/430556330.db2.gz SHGPUKJZZBTCEM-RHSMWYFYSA-N 2 0 302.466 2.818 20 0 DFADRP C[NH+]1CCC([C@H]2CC[N@H+](Cc3ccnn3CC3CCC3)C2)CC1 ZINC000639176799 430556792 /nfs/dbraw/zinc/55/67/92/430556792.db2.gz LAEHOYABIMKXPO-SFHVURJKSA-N 2 0 316.493 2.847 20 0 DFADRP CO[C@H](Cc1ccccc1)C[N@@H+]1CC[C@@H](C2CC[NH+](C)CC2)C1 ZINC000639177771 430557604 /nfs/dbraw/zinc/55/76/04/430557604.db2.gz WTNBWQMHHDFPMV-WOJBJXKFSA-N 2 0 316.489 2.908 20 0 DFADRP COc1nc2ccccc2cc1C[N@@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000571088129 430601338 /nfs/dbraw/zinc/60/13/38/430601338.db2.gz MBBGPXOYHZPSOQ-USXIJHARSA-N 2 0 311.429 2.803 20 0 DFADRP CC(C)[NH2+]CCC(=O)N1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000570725289 430570935 /nfs/dbraw/zinc/57/09/35/430570935.db2.gz RRUBFCYEJWVCRF-KRWDZBQOSA-N 2 0 323.525 2.878 20 0 DFADRP C[C@@H]([NH2+]C(C)(C)CNC(=O)C[C@H]1CCC[NH2+]C1)c1ccccc1 ZINC000570738806 430572628 /nfs/dbraw/zinc/57/26/28/430572628.db2.gz FBVHDIXNMIVYKY-HZPDHXFCSA-N 2 0 317.477 2.622 20 0 DFADRP CN(C[C@H](O)C[NH2+][C@H]1CCC(C)(C)c2ccccc21)C1CC1 ZINC000570794235 430576566 /nfs/dbraw/zinc/57/65/66/430576566.db2.gz CUDHMLUGHCOQSX-QAPCUYQASA-N 2 0 302.462 2.844 20 0 DFADRP C[C@H]([NH2+]C[C@@H]1CCN(c2ccccc2F)C1)C1CC[NH+](C)CC1 ZINC000643320927 430580997 /nfs/dbraw/zinc/58/09/97/430580997.db2.gz XDZNASHLMBJKQL-HOTGVXAUSA-N 2 0 319.468 2.972 20 0 DFADRP O=C(C[NH2+][C@@H]1CCC[C@H](C2CC2)C1)NCC[NH+]1CCCCCC1 ZINC000552064825 430582534 /nfs/dbraw/zinc/58/25/34/430582534.db2.gz RIDYUVBCYKOHSU-ZWKOTPCHSA-N 2 0 321.509 2.537 20 0 DFADRP C[C@H]1CCCC[N@@H+]1CCC1CCN(C(=O)[C@H]2CCCC[NH2+]2)CC1 ZINC000570931098 430590391 /nfs/dbraw/zinc/59/03/91/430590391.db2.gz DDNYHRYQDZRNLZ-FUHWJXTLSA-N 2 0 321.509 2.632 20 0 DFADRP CC(C)[C@H]1CC[C@H]1[NH2+]C[C@@H]1CCCN(C)[C@H]1c1ccnn1C ZINC000552323862 430594657 /nfs/dbraw/zinc/59/46/57/430594657.db2.gz UDFPLJCNIDIBDN-BVIKNXMNSA-N 2 0 304.482 2.827 20 0 DFADRP Cc1ccc(CCC[NH2+][C@@H]2CCOC[C@@H]2[C@@H]2CCC[NH2+]2)c(C)c1 ZINC000643457015 430602353 /nfs/dbraw/zinc/60/23/53/430602353.db2.gz CPIVFZCVDSKFFX-HSALFYBXSA-N 2 0 316.489 2.983 20 0 DFADRP C[NH2+]C[C@@H]1C[C@H](F)CN1c1cc[nH+]c2cc(F)c(OC)cc21 ZINC000643039037 430544997 /nfs/dbraw/zinc/54/49/97/430544997.db2.gz WJDSHRJGSISKJI-QWRGUYRKSA-N 2 0 307.344 2.519 20 0 DFADRP C(CN1CCCC[C@@H]1c1noc(C2CC2)n1)[C@H]1CCC[NH2+]C1 ZINC000643057524 430546156 /nfs/dbraw/zinc/54/61/56/430546156.db2.gz NGMZLWDOHKCLOR-UKRRQHHQSA-N 2 0 304.438 2.864 20 0 DFADRP Cc1cc(C)c(C[N@@H+](C)CC2CC[NH+](C[C@H](C)O)CC2)c(C)n1 ZINC000639479040 430649846 /nfs/dbraw/zinc/64/98/46/430649846.db2.gz VNWAEZHRIMPADU-INIZCTEOSA-N 2 0 319.493 2.531 20 0 DFADRP CC(C)[N@@H+]1CC[C@H](C[NH2+]C2CCN(CCC(F)(F)F)CC2)C1 ZINC000554882142 430654674 /nfs/dbraw/zinc/65/46/74/430654674.db2.gz GUPWBRUXWUPOHS-CQSZACIVSA-N 3 0 321.431 2.723 20 0 DFADRP Cc1cc(C)c(CN2CC[NH+](CCOC(C)C)CC2)c(C)n1 ZINC000639508817 430659162 /nfs/dbraw/zinc/65/91/62/430659162.db2.gz ONHVLTQJUVCCQW-UHFFFAOYSA-N 2 0 305.466 2.549 20 0 DFADRP COc1cccc2c1OC[C@H]([NH2+][C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1)C2 ZINC000643451968 430602884 /nfs/dbraw/zinc/60/28/84/430602884.db2.gz GEEKFZRNZBQJCJ-QBPKDAKJSA-N 2 0 316.445 2.509 20 0 DFADRP C[C@H]([NH2+]C[C@H]1CCN(c2ccc(F)c(F)c2)C1)[C@@H]1CCCC[NH2+]1 ZINC000643453180 430603199 /nfs/dbraw/zinc/60/31/99/430603199.db2.gz MOHWEZFMSFBOHO-IYOUNJFTSA-N 2 0 323.431 2.911 20 0 DFADRP [NH3+]C[C@@H]1CCC[C@H]1[NH2+]C[C@@H]1CCN(c2ccc(Cl)cc2)C1 ZINC000643452976 430603283 /nfs/dbraw/zinc/60/32/83/430603283.db2.gz BBYCYZRBJKEAGN-GRDNDAEWSA-N 2 0 307.869 2.883 20 0 DFADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+][C@H]1CCN(c2ccc(F)cc2F)C1 ZINC000643462704 430603793 /nfs/dbraw/zinc/60/37/93/430603793.db2.gz BLEDJBFXAOOBEP-IVMMDQJWSA-N 2 0 309.404 2.521 20 0 DFADRP C[C@H]([NH2+]CC1CC[NH+](Cc2ccncc2)CC1)[C@@H]1CC1(F)F ZINC000639309424 430604108 /nfs/dbraw/zinc/60/41/08/430604108.db2.gz AHEZGGDCPORHCG-BBRMVZONSA-N 2 0 309.404 2.927 20 0 DFADRP FC(F)CN1CCC([NH2+][C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)CC1 ZINC000643460010 430604335 /nfs/dbraw/zinc/60/43/35/430604335.db2.gz HMPBMXUFKVYJOV-ARFHVFGLSA-N 2 0 315.452 2.616 20 0 DFADRP C[C@@H]([NH2+]CC1CC[NH+](Cc2ccncc2)CC1)[C@H]1CC1(F)F ZINC000639309426 430604507 /nfs/dbraw/zinc/60/45/07/430604507.db2.gz AHEZGGDCPORHCG-CZUORRHYSA-N 2 0 309.404 2.927 20 0 DFADRP C[C@@H]([NH2+]CC(C)(C)c1ccc2c(c1)OCCO2)[C@@H]1CCC[NH2+]C1 ZINC000643459103 430604718 /nfs/dbraw/zinc/60/47/18/430604718.db2.gz WBJSKBVINTWMNX-HUUCEWRRSA-N 2 0 318.461 2.713 20 0 DFADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]C1CCN(CC(F)F)CC1 ZINC000643460034 430604985 /nfs/dbraw/zinc/60/49/85/430604985.db2.gz NCLWLPATTUMFFX-HIFRSBDPSA-N 2 0 303.441 2.616 20 0 DFADRP COc1ccc(OC)c(CCC[NH2+][C@H](C)[C@H]2CCC[NH2+]C2)c1 ZINC000643476598 430607297 /nfs/dbraw/zinc/60/72/97/430607297.db2.gz VQULVKRHVGASPL-ZBFHGGJFSA-N 2 0 306.450 2.614 20 0 DFADRP COc1ccc(OC)c(CCC[NH2+][C@@H](C)[C@@H]2CCC[NH2+]C2)c1 ZINC000643476596 430607766 /nfs/dbraw/zinc/60/77/66/430607766.db2.gz VQULVKRHVGASPL-GOEBONIOSA-N 2 0 306.450 2.614 20 0 DFADRP CCOc1ccc(C[C@H](C)C[NH2+][C@@H]2CCOC[C@@H]2[C@@H](C)[NH3+])cc1 ZINC000643493855 430608203 /nfs/dbraw/zinc/60/82/03/430608203.db2.gz WDKLRDYKHWNSDT-OSGQAZFXSA-N 2 0 320.477 2.606 20 0 DFADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+][C@H]1CCO[C@H](c2nccn2C)C1 ZINC000643493628 430609024 /nfs/dbraw/zinc/60/90/24/430609024.db2.gz ZLBIEZSHJSTURP-QZWWFDLISA-N 2 0 320.481 2.541 20 0 DFADRP [NH3+]C[C@@H]1CCC[C@H]1[NH2+][C@H]1CCCc2nn(-c3ccccc3)cc21 ZINC000643512483 430611416 /nfs/dbraw/zinc/61/14/16/430611416.db2.gz MQCFTSFVBVDSEN-QGTPRVQTSA-N 2 0 310.445 2.967 20 0 DFADRP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CCCc2nn(-c3ccccc3)cc21 ZINC000643512482 430611786 /nfs/dbraw/zinc/61/17/86/430611786.db2.gz MQCFTSFVBVDSEN-JCGIZDLHSA-N 2 0 310.445 2.967 20 0 DFADRP C[NH+](C)CCC[C@@H]1C[N@H+](Cc2cccc3ncccc23)CCO1 ZINC000639335019 430612420 /nfs/dbraw/zinc/61/24/20/430612420.db2.gz LOHPRRNLNNHTSD-QGZVFWFLSA-N 2 0 313.445 2.777 20 0 DFADRP COc1ccc([C@H](C)[C@@H](C)[NH2+][C@@H]2CCC[NH2+]CC2)cc1OC ZINC000643522785 430612519 /nfs/dbraw/zinc/61/25/19/430612519.db2.gz SMBZXEKETXDDIA-IIAWOOMASA-N 2 0 306.450 2.928 20 0 DFADRP C[C@@H]([NH2+][C@@H]1CC12CC[NH2+]CC2)c1cnn(Cc2ccccc2)c1 ZINC000643535031 430613019 /nfs/dbraw/zinc/61/30/19/430613019.db2.gz HWJDXJLYSLERLA-CRAIPNDOSA-N 2 0 310.445 2.724 20 0 DFADRP C[C@H](Cc1ccccc1)[NH+]1CCC(N[C@@H]2CCC[NH2+]CC2)CC1 ZINC000643522975 430613605 /nfs/dbraw/zinc/61/36/05/430613605.db2.gz RBOSNZDEGOCNQD-IEBWSBKVSA-N 2 0 315.505 2.814 20 0 DFADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C[NH2+]CC[C@@H]1CCOC1 ZINC000639359285 430620042 /nfs/dbraw/zinc/62/00/42/430620042.db2.gz KHVJXVREHPLMRM-BHIYHBOVSA-N 2 0 302.462 2.771 20 0 DFADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C[NH2+]CC[C@H]1CCOC1 ZINC000639359287 430620644 /nfs/dbraw/zinc/62/06/44/430620644.db2.gz KHVJXVREHPLMRM-NEWSRXKRSA-N 2 0 302.462 2.771 20 0 DFADRP C[C@H](CCc1ccc(F)cc1)[NH2+][C@@H]1CCC[C@@H]1N1CC[C@H](O)C1 ZINC000639369977 430622372 /nfs/dbraw/zinc/62/23/72/430622372.db2.gz BIMNVIQAWFEJEY-FDPIWHGQSA-N 2 0 320.452 2.724 20 0 DFADRP C[C@H](CC[NH2+][C@@H]1CCC[C@@H]1N1CC[C@@H](O)C1)c1ccccc1 ZINC000639370993 430623130 /nfs/dbraw/zinc/62/31/30/430623130.db2.gz FMDQHTMEHWYWKJ-OWYHZJEWSA-N 2 0 302.462 2.758 20 0 DFADRP O[C@@H]1CCN([C@@H]2CCC[C@@H]2[NH2+][C@H]2CC[C@@H](c3ccccc3)C2)C1 ZINC000639370618 430623417 /nfs/dbraw/zinc/62/34/17/430623417.db2.gz DAZYBFHXPLSMFW-UJMXGEILSA-N 2 0 314.473 2.900 20 0 DFADRP C[C@H]([NH2+][C@@H]1CCC[C@@H]1N1CC[C@@H](O)C1)C1CCC(F)(F)CC1 ZINC000639373691 430625605 /nfs/dbraw/zinc/62/56/05/430625605.db2.gz SXLVPXVBUOAWSS-XZDPQHSOSA-N 2 0 316.436 2.778 20 0 DFADRP O=C(CC[NH2+]C1CC1)Nc1cccc(C[NH+]2CCCCC2)c1 ZINC000571536382 430635687 /nfs/dbraw/zinc/63/56/87/430635687.db2.gz GDVNKZFTXQSEAH-UHFFFAOYSA-N 2 0 301.434 2.753 20 0 DFADRP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(C[NH3+])cc2)CN1Cc1ccccc1 ZINC000571563310 430636343 /nfs/dbraw/zinc/63/63/43/430636343.db2.gz YEISWZBATHRCGC-OXQOHEQNSA-N 2 0 309.457 2.898 20 0 DFADRP COc1ccc(COCC[N@@H+]2CC3(C[C@@H]2C)CC[NH2+]CC3)cc1 ZINC000643895273 430640838 /nfs/dbraw/zinc/64/08/38/430640838.db2.gz BTBZBQGBANWOBF-INIZCTEOSA-N 2 0 318.461 2.676 20 0 DFADRP COc1cc(C)c(C[C@H](C)[NH2+]CCN2CC[C@H](C)C2)cc1OC ZINC000554558711 430644107 /nfs/dbraw/zinc/64/41/07/430644107.db2.gz MBHBVICZEJQNMU-HOCLYGCPSA-N 2 0 320.477 2.875 20 0 DFADRP COc1cc(C)c(C[C@@H](C)[NH2+]CCN2CC[C@@H](C)C2)cc1OC ZINC000554558709 430644177 /nfs/dbraw/zinc/64/41/77/430644177.db2.gz MBHBVICZEJQNMU-GDBMZVCRSA-N 2 0 320.477 2.875 20 0 DFADRP [NH3+][C@@H]1CCCC[C@H]1NCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000643973505 430645700 /nfs/dbraw/zinc/64/57/00/430645700.db2.gz KUWHHBKNKZYAIW-RTBURBONSA-N 2 0 317.477 2.521 20 0 DFADRP C[N@H+](Cc1ccc2c(c1)C[NH2+]CC2)[C@@H](CCO)c1ccccc1 ZINC000571691235 430645717 /nfs/dbraw/zinc/64/57/17/430645717.db2.gz PGUVMXIMPLGYPC-FQEVSTJZSA-N 2 0 310.441 2.888 20 0 DFADRP COc1cccc(N2CC[C@H](C[NH2+][C@H]3CCCCC[C@@H]3[NH3+])C2)c1 ZINC000572111625 430671911 /nfs/dbraw/zinc/67/19/11/430671911.db2.gz MSDDEFMLQWJCDE-MNEFBYGVSA-N 2 0 317.477 2.771 20 0 DFADRP Cc1ncsc1CN(C)C[C@@H]1CC[N@@H+](C[C@@H]2CCO[C@@H]2C)C1 ZINC000639614796 430681177 /nfs/dbraw/zinc/68/11/77/430681177.db2.gz HCHIBZLHZZWUHZ-PMPSAXMXSA-N 2 0 323.506 2.630 20 0 DFADRP COc1cccc2c1CC[C@@H]([NH2+]CCC1CC[NH+](C)CC1)C2 ZINC000192441891 278031870 /nfs/dbraw/zinc/03/18/70/278031870.db2.gz VTALVMNXKMUDGN-QGZVFWFLSA-N 2 0 302.462 2.874 20 0 DFADRP CSC1(C[NH2+][C@H]2C[C@@H](OC(C)C)C2(C)C)CC[NH+](C)CC1 ZINC000353624415 278126345 /nfs/dbraw/zinc/12/63/45/278126345.db2.gz QIIZWPTYXYHADP-LSDHHAIUSA-N 2 0 314.539 2.996 20 0 DFADRP C[C@H]1CN(Cc2ccccn2)CC[C@H]1[NH2+]CCOCC1CCC1 ZINC000572571973 430690935 /nfs/dbraw/zinc/69/09/35/430690935.db2.gz GSYVCFQWPJOLOS-QFBILLFUSA-N 2 0 317.477 2.698 20 0 DFADRP C[C@@H](CC(=O)Nc1ccccc1)[NH2+]CC1CC[NH+](C2CC2)CC1 ZINC000278506274 278222192 /nfs/dbraw/zinc/22/21/92/278222192.db2.gz QZWPLFOEXIECEP-HNNXBMFYSA-N 2 0 315.461 2.868 20 0 DFADRP C[C@@H](CN1CC[NH+](C)CC1)[NH2+][C@@H](C)c1ccc2ccccc2n1 ZINC000177969547 278260936 /nfs/dbraw/zinc/26/09/36/278260936.db2.gz CSIZONKPOHIKJY-HOTGVXAUSA-N 2 0 312.461 2.521 20 0 DFADRP CC1(C)CC[C@@H](C[NH+]2CCC(CCC[NH+]3CCOCC3)CC2)O1 ZINC000187464288 278263789 /nfs/dbraw/zinc/26/37/89/278263789.db2.gz NVEJWMHSWFENLV-SFHVURJKSA-N 2 0 324.509 2.768 20 0 DFADRP C[C@@H](C[NH2+][C@H]1CC(C)(C)Cc2occc21)CN1CC[NH+](C)CC1 ZINC000120882113 278286183 /nfs/dbraw/zinc/28/61/83/278286183.db2.gz TZNMUVIJWDVIKD-RDJZCZTQSA-N 2 0 319.493 2.766 20 0 DFADRP C[C@@H](C[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1)N1CCc2ccccc2C1 ZINC000247174655 278286822 /nfs/dbraw/zinc/28/68/22/278286822.db2.gz YSFBCRQXCGFIOV-GJYPPUQNSA-N 2 0 301.478 2.506 20 0 DFADRP Fc1ccc(/C=C/C[NH2+]C2CCN([C@@H]3CCOC3)CC2)cc1 ZINC000657752356 430725376 /nfs/dbraw/zinc/72/53/76/430725376.db2.gz YUXWQOIFCJUYHR-ZMXQLYDGSA-N 2 0 304.409 2.682 20 0 DFADRP CC(C)(C)c1cnc(CNC2CC[NH+]([C@@H]3CCOC3)CC2)s1 ZINC000657752864 430725599 /nfs/dbraw/zinc/72/55/99/430725599.db2.gz SXGNCFAWHQMXSG-CQSZACIVSA-N 2 0 323.506 2.784 20 0 DFADRP Cc1ccc2cc(C[NH2+]C3CCN([C@@H]4CCOC4)CC3)[nH]c2c1 ZINC000657752184 430725907 /nfs/dbraw/zinc/72/59/07/430725907.db2.gz MVAMZMVORZKFPD-GOSISDBHSA-N 2 0 313.445 2.819 20 0 DFADRP CN(Cc1ccccc1)C[C@@H](O)C[NH2+]CCC(C)(C)C1CC1 ZINC000644654795 430780982 /nfs/dbraw/zinc/78/09/82/430780982.db2.gz DCPYOCLWQMFSSH-SFHVURJKSA-N 2 0 304.478 2.895 20 0 DFADRP CO[C@H](C[NH2+]Cc1cn(-c2cc[nH+]cc2)nc1C)C1CCCC1 ZINC000657768133 430729951 /nfs/dbraw/zinc/72/99/51/430729951.db2.gz WDQQTIPLPBMXLN-GOSISDBHSA-N 2 0 314.433 2.871 20 0 DFADRP COC[C@@H](C)[NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CC12CCC2 ZINC000657774575 430731400 /nfs/dbraw/zinc/73/14/00/430731400.db2.gz ZSASIOYOVXPVBE-SJLPKXTDSA-N 2 0 302.462 2.913 20 0 DFADRP c1cc2n(n1)CCC[C@H]2[NH2+]C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000657997277 430782970 /nfs/dbraw/zinc/78/29/70/430782970.db2.gz ARMLHABBUZKWIM-ZWKOTPCHSA-N 2 0 310.445 2.830 20 0 DFADRP C[C@H](c1ccccc1)[C@H](O)C[NH2+]Cc1ccnn1-c1cc[nH+]cc1 ZINC000657797238 430739275 /nfs/dbraw/zinc/73/92/75/430739275.db2.gz IRBJFWVWUAQCFF-DNVCBOLYSA-N 2 0 322.412 2.522 20 0 DFADRP CC(C)(C)n1cc(C[NH2+]CC2CC[NH+](CC3CC3)CC2)cn1 ZINC000657811796 430740949 /nfs/dbraw/zinc/74/09/49/430740949.db2.gz GNCHKGNUYPBGLH-UHFFFAOYSA-N 2 0 304.482 2.850 20 0 DFADRP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+][C@@H](c1ccccc1)[C@H](C)O ZINC000657814287 430743124 /nfs/dbraw/zinc/74/31/24/430743124.db2.gz BYRAFVVDXRYAHL-HNAYVOBHSA-N 2 0 322.412 2.787 20 0 DFADRP O=C(CC[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1)Nc1ccc(Cl)cc1 ZINC000644524096 430744205 /nfs/dbraw/zinc/74/42/05/430744205.db2.gz RIHXYPGRNQCMLQ-HOTGVXAUSA-N 2 0 321.852 2.885 20 0 DFADRP Cc1nc2ccccn2c1C[NH2+]CC1CC[NH+](CC2CC2)CC1 ZINC000657813565 430744459 /nfs/dbraw/zinc/74/44/59/430744459.db2.gz RYGXMGIKMBMQAN-UHFFFAOYSA-N 2 0 312.461 2.854 20 0 DFADRP Cc1cc([C@@H](C)[NH2+][C@@H]2CCN(C3CC[NH+](C)CC3)C2)cs1 ZINC000651228228 430744485 /nfs/dbraw/zinc/74/44/85/430744485.db2.gz AVVYJOJQABRPKW-GDBMZVCRSA-N 2 0 307.507 2.876 20 0 DFADRP C[C@@H]([NH2+]CC(C)(C)N1CC[NH+](C)CC1)c1cc2cnccc2o1 ZINC000657832007 430748022 /nfs/dbraw/zinc/74/80/22/430748022.db2.gz HWGXCGSQRVHALB-CQSZACIVSA-N 2 0 316.449 2.504 20 0 DFADRP CC[NH+]1CCC(C[NH2+][C@H](c2nnc[nH]2)C2CCCCC2)CC1 ZINC000644538131 430748357 /nfs/dbraw/zinc/74/83/57/430748357.db2.gz SGDGATSBNUBFKB-INIZCTEOSA-N 2 0 305.470 2.748 20 0 DFADRP C[C@@H]([NH2+]CCCC[NH+]1CCN(C)CC1)c1cc2cnccc2o1 ZINC000657836559 430749731 /nfs/dbraw/zinc/74/97/31/430749731.db2.gz TVWIKBYONDLQLI-OAHLLOKOSA-N 2 0 316.449 2.506 20 0 DFADRP C[C@@H](NCCC[NH+]1CCC(O)CC1)c1ccc(C(F)F)nc1 ZINC000657845955 430752673 /nfs/dbraw/zinc/75/26/73/430752673.db2.gz MJBHXUJCIUTSJL-GFCCVEGCSA-N 2 0 313.392 2.517 20 0 DFADRP C[C@@H](CN1CC[NH+](C)CC1)[NH2+][C@@H](C)c1cc2ccncc2s1 ZINC000657877065 430758378 /nfs/dbraw/zinc/75/83/78/430758378.db2.gz BORZNTGUOGFZAJ-KBPBESRZSA-N 2 0 318.490 2.583 20 0 DFADRP c1cc(N2CCC(C[NH2+][C@H]3COC4(CCC4)C3)CC2)cc[nH+]1 ZINC000657909508 430764520 /nfs/dbraw/zinc/76/45/20/430764520.db2.gz NESGALSZRNJTTP-MRXNPFEDSA-N 2 0 301.434 2.599 20 0 DFADRP CN(Cc1ccccc1)C[C@@H](O)C[NH2+][C@@H]1CCCC(F)(F)C1 ZINC000644602133 430767013 /nfs/dbraw/zinc/76/70/13/430767013.db2.gz KBNWCCFTRGWOMC-CVEARBPZSA-N 2 0 312.404 2.647 20 0 DFADRP CC1(C)[C@H]([NH2+]C2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)[C@@H]2CCC[C@@H]21 ZINC000657925008 430768412 /nfs/dbraw/zinc/76/84/12/430768412.db2.gz LLGIBNBENQDUKY-CWQOZTLDSA-N 2 0 306.494 2.779 20 0 DFADRP CC[C@H]1C[C@@H]([NH2+]Cc2ccccc2CN2CCOCC2)CCO1 ZINC000648406079 430775792 /nfs/dbraw/zinc/77/57/92/430775792.db2.gz PEXCVUNQVOARIS-OALUTQOASA-N 2 0 318.461 2.566 20 0 DFADRP C[NH+]1CCN(c2cc[nH+]cc2N[C@H]2CCCSCC2)CC1 ZINC000657954907 430775990 /nfs/dbraw/zinc/77/59/90/430775990.db2.gz JMXFPQOSQHWGPQ-AWEZNQCLSA-N 2 0 306.479 2.531 20 0 DFADRP O=C(CC[NH2+][C@@H]1CCc2nc[nH]c2C1)Nc1ccc(Cl)cc1 ZINC000644650814 430778636 /nfs/dbraw/zinc/77/86/36/430778636.db2.gz PNTRYYKTFXXAND-CYBMUJFWSA-N 2 0 318.808 2.539 20 0 DFADRP CCCN1CCC[C@H]1C[NH2+]CCC(=O)Nc1ccccc1F ZINC000644646279 430779186 /nfs/dbraw/zinc/77/91/86/430779186.db2.gz JYEPQCVKEWPLMO-AWEZNQCLSA-N 2 0 307.413 2.618 20 0 DFADRP COC[C@@H](CC1CCOCC1)[NH2+]CC1(C[NH+](C)C)CCCC1 ZINC000657973791 430779436 /nfs/dbraw/zinc/77/94/36/430779436.db2.gz INTGQROULPOURI-QGZVFWFLSA-N 2 0 312.498 2.530 20 0 DFADRP O=C(CC[NH2+][C@@H]1CCc2nc[nH]c2C1)Nc1cccc(Cl)c1 ZINC000644650854 430779525 /nfs/dbraw/zinc/77/95/25/430779525.db2.gz BLGOOYKLPLXSHQ-GFCCVEGCSA-N 2 0 318.808 2.539 20 0 DFADRP COc1cccc2c1CC[C@@H]2[NH2+][C@@H](C)CN(C)CCC[NH+](C)C ZINC000658109306 430814913 /nfs/dbraw/zinc/81/49/13/430814913.db2.gz SWGUCHHSBZHPSB-YJBOKZPZSA-N 2 0 319.493 2.544 20 0 DFADRP C[C@@H](CN(C)CCC[NH+](C)C)[NH2+][C@H]1CCCc2c(O)cccc21 ZINC000658108735 430814918 /nfs/dbraw/zinc/81/49/18/430814918.db2.gz RISUIDLSCXGCRZ-YJBOKZPZSA-N 2 0 319.493 2.631 20 0 DFADRP CCCC[C@@H](COC)[NH2+]Cc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1 ZINC000658138562 430823094 /nfs/dbraw/zinc/82/30/94/430823094.db2.gz JJWAYDRCSTURHE-OALUTQOASA-N 2 0 320.477 2.548 20 0 DFADRP O[C@H]1CC[N@H+](Cc2ccc(C[NH2+][C@H]3CCCC34CC4)cc2)C1 ZINC000658139310 430823631 /nfs/dbraw/zinc/82/36/31/430823631.db2.gz QNARDTOKSQPNMJ-ROUUACIJSA-N 2 0 300.446 2.676 20 0 DFADRP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+][C@H](C)C2(CO)CC2)CC1 ZINC000658156555 430827569 /nfs/dbraw/zinc/82/75/69/430827569.db2.gz VOUQDXPTCUFCIY-IAGOWNOFSA-N 2 0 316.489 2.833 20 0 DFADRP COCCC[C@H](C)[NH2+]CC1CC[NH+](Cc2ccncc2)CC1 ZINC000658166780 430832666 /nfs/dbraw/zinc/83/26/66/430832666.db2.gz ORIZMTUQUHEINH-INIZCTEOSA-N 2 0 305.466 2.698 20 0 DFADRP C[C@H]([NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1)c1cncc(Br)c1 ZINC000658048857 430793854 /nfs/dbraw/zinc/79/38/54/430793854.db2.gz YQTWRVGAVVLNST-COPLHBTASA-N 2 0 312.255 2.835 20 0 DFADRP C[C@H]([NH2+][C@H]1COC(C)(C)C1)c1cccc(OCC[NH+](C)C)c1 ZINC000658058028 430795090 /nfs/dbraw/zinc/79/50/90/430795090.db2.gz LCZZZWBLBFJWAJ-GOEBONIOSA-N 2 0 306.450 2.845 20 0 DFADRP COCC[C@H]1CCC[C@@H]1[NH2+]CC1CC[NH+](C2CCOCC2)CC1 ZINC000658069202 430797154 /nfs/dbraw/zinc/79/71/54/430797154.db2.gz CTEMLLNBXSBFQO-MJGOQNOKSA-N 2 0 324.509 2.672 20 0 DFADRP c1ccc2c(c1)CC([NH2+]CC1CC[NH+](C3CCOCC3)CC1)C2 ZINC000658069058 430798442 /nfs/dbraw/zinc/79/84/42/430798442.db2.gz KQSCMBDIJZAYGM-UHFFFAOYSA-N 2 0 314.473 2.634 20 0 DFADRP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+][C@@H]2CCC[C@H](O)C2)CC1 ZINC000648496334 430807405 /nfs/dbraw/zinc/80/74/05/430807405.db2.gz MFEFVSYGCSVZHH-AHRSYUTCSA-N 2 0 316.489 2.975 20 0 DFADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]C[C@]2(C)CC2(F)F)[C@H](C)C1 ZINC000658223401 430844912 /nfs/dbraw/zinc/84/49/12/430844912.db2.gz YZQAGBMKOIJMNQ-ILXRZTDVSA-N 2 0 304.425 2.758 20 0 DFADRP CCN1CC[NH+](CCCC[NH2+]Cc2cccc3c2CCC3)CC1 ZINC000651676553 430845966 /nfs/dbraw/zinc/84/59/66/430845966.db2.gz DUWCHRGGKBGWKB-UHFFFAOYSA-N 2 0 315.505 2.683 20 0 DFADRP CC[C@@]1(C)CCC[C@@H]1[NH2+]Cc1ccnc(N2CC[NH+](C)CC2)c1 ZINC000651678883 430847822 /nfs/dbraw/zinc/84/78/22/430847822.db2.gz HMHKHNYHDYSGBQ-HKUYNNGSSA-N 2 0 316.493 2.892 20 0 DFADRP Cc1c(C[NH3+])cccc1-c1ccccc1C[NH+]1CCN(C)CC1 ZINC000665190499 430852251 /nfs/dbraw/zinc/85/22/51/430852251.db2.gz NKRTWRCRDTVCFQ-UHFFFAOYSA-N 2 0 309.457 2.868 20 0 DFADRP COC[C@H](CC(C)(C)C)[NH2+]CCCC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000651720918 430858248 /nfs/dbraw/zinc/85/82/48/430858248.db2.gz OBWMMUNTFRUXQE-ULQDDVLXSA-N 2 0 314.514 2.917 20 0 DFADRP COC1CC(CC[NH2+][C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)C1 ZINC000665230276 430861747 /nfs/dbraw/zinc/86/17/47/430861747.db2.gz LYJVJFCUGJGSJP-IUSFWMAGSA-N 2 0 316.445 2.647 20 0 DFADRP O[C@H]1CCC[C@H]1[NH+]1CCC([NH2+]Cc2cccc3c2CCC3)CC1 ZINC000651733399 430863708 /nfs/dbraw/zinc/86/37/08/430863708.db2.gz GNAGPPYWSQSWJY-UXHICEINSA-N 2 0 314.473 2.643 20 0 DFADRP CC(=O)NCc1ccc(C[NH2+][C@@H](C)C[C@H]2CCCCC[NH2+]2)cc1 ZINC000665235259 430864116 /nfs/dbraw/zinc/86/41/16/430864116.db2.gz STOYNHXQNPZDCQ-HNAYVOBHSA-N 2 0 317.477 2.723 20 0 DFADRP Cc1ccc(CC[NH2+][C@@H]2CCOC[C@@H]2[C@@H]2CCC[NH2+]2)cc1C ZINC000665245234 430865387 /nfs/dbraw/zinc/86/53/87/430865387.db2.gz CILPUGDWXKJZLD-CEXWTWQISA-N 2 0 302.462 2.593 20 0 DFADRP Cc1ccncc1CC[NH2+][C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000665239818 430865572 /nfs/dbraw/zinc/86/55/72/430865572.db2.gz ZXUYYTQLMQLSFA-UYAOXDASSA-N 2 0 323.440 2.778 20 0 DFADRP [NH3+][C@@H]1C[C@@H](N[C@@H]2C[NH2+]CC[C@@H]2c2ccccc2)c2ccccc21 ZINC000665252098 430871199 /nfs/dbraw/zinc/87/11/99/430871199.db2.gz GWNZNXLLAYWUPQ-HUYLIWGRSA-N 2 0 307.441 2.867 20 0 DFADRP Clc1ccc(C[NH2+][C@@H](C2CC2)[C@@H]2CNCCO2)cc1Cl ZINC000665265524 430874110 /nfs/dbraw/zinc/87/41/10/430874110.db2.gz XIXMGAJAAWCSFX-GJZGRUSLSA-N 2 0 315.244 2.850 20 0 DFADRP Clc1ccc(C[NH2+][C@H](C2CC2)[C@@H]2CNCCO2)cc1Cl ZINC000665265526 430875089 /nfs/dbraw/zinc/87/50/89/430875089.db2.gz XIXMGAJAAWCSFX-LSDHHAIUSA-N 2 0 315.244 2.850 20 0 DFADRP C[C@@H]1CCC[C@H](C[NH2+][C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)O1 ZINC000665264850 430875476 /nfs/dbraw/zinc/87/54/76/430875476.db2.gz JLEWLQKAIMSIJD-IIHSZXCVSA-N 2 0 316.445 2.790 20 0 DFADRP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1[NH2+]Cc1ccc(Cl)c(Cl)c1 ZINC000665265292 430875550 /nfs/dbraw/zinc/87/55/50/430875550.db2.gz UPJPAVQXMNNIFP-CHIMOYNISA-N 2 0 303.233 2.835 20 0 DFADRP COc1ccc(-c2cc(C[NH2+][C@@H]3CCCC[C@H]3C[NH3+])on2)cc1 ZINC000665262342 430875792 /nfs/dbraw/zinc/87/57/92/430875792.db2.gz YVQFRJIMLBEWIQ-WMLDXEAASA-N 2 0 315.417 2.957 20 0 DFADRP CC(C)[C@H]([NH3+])CC[NH2+][C@H](C)c1ccc(OCC[NH+](C)C)cc1 ZINC000665281017 430881403 /nfs/dbraw/zinc/88/14/03/430881403.db2.gz RQWWXSSIBFLUIG-CRAIPNDOSA-N 3 0 307.482 2.651 20 0 DFADRP OCC1CC([NH2+][C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)C1 ZINC000658355729 430885249 /nfs/dbraw/zinc/88/52/49/430885249.db2.gz JGYNCLVJVAUWGX-ZSDFWYKJSA-N 2 0 314.473 2.648 20 0 DFADRP C[NH2+]CCCC(=O)N1CCC([NH2+][C@@H](C)C2C(C)(C)C2(C)C)CC1 ZINC000665287648 430885723 /nfs/dbraw/zinc/88/57/23/430885723.db2.gz QTPISAWJAAIUDR-AWEZNQCLSA-N 2 0 323.525 2.637 20 0 DFADRP C[NH2+]CCCC(=O)N1CCC([NH2+][C@H](C)C2C(C)(C)C2(C)C)CC1 ZINC000665287649 430885802 /nfs/dbraw/zinc/88/58/02/430885802.db2.gz QTPISAWJAAIUDR-CQSZACIVSA-N 2 0 323.525 2.637 20 0 DFADRP CCC(C)(C)C1CCC([NH2+]Cc2nc(C[NH3+])cc(=O)[nH]2)CC1 ZINC000665289521 430886167 /nfs/dbraw/zinc/88/61/67/430886167.db2.gz QJGJWWRAZDFOCC-UHFFFAOYSA-N 2 0 306.454 2.726 20 0 DFADRP [NH3+]Cc1cc(=O)[nH]c(C[NH2+][C@H]2CCCC[C@H]2C2CCCCC2)n1 ZINC000665291648 430886345 /nfs/dbraw/zinc/88/63/45/430886345.db2.gz HGBFMPMCQKIQKD-HOTGVXAUSA-N 2 0 318.465 2.870 20 0 DFADRP C[C@@H]([NH2+]C[C@@H]1C[C@H](c2ccccc2)CO1)C1CC[NH+](C)CC1 ZINC000658205222 430840561 /nfs/dbraw/zinc/84/05/61/430840561.db2.gz AQTQKAIBVYCQBN-MNEFBYGVSA-N 2 0 302.462 2.879 20 0 DFADRP COc1ccccc1-c1cc(C[NH2+][C@H]2CCCC[C@@H]2C[NH3+])on1 ZINC000665299765 430891256 /nfs/dbraw/zinc/89/12/56/430891256.db2.gz SFKKQXMMVQDEKJ-CJNGLKHVSA-N 2 0 315.417 2.957 20 0 DFADRP C[NH+](C)CCOc1ccc(C[NH2+]CCC[C@@H]2CCOC2)cc1 ZINC000648815687 430902637 /nfs/dbraw/zinc/90/26/37/430902637.db2.gz OFPSXMNBZKBNSI-QGZVFWFLSA-N 2 0 306.450 2.533 20 0 DFADRP COCC1(C[NH2+]Cc2ccc(OCC[NH+](C)C)cc2)CCCC1 ZINC000648845046 430911394 /nfs/dbraw/zinc/91/13/94/430911394.db2.gz MCCKSXARNNIZLY-UHFFFAOYSA-N 2 0 320.477 2.923 20 0 DFADRP CC(C)C1CCC([NH+]2CCN(C[C@]3(C)CC[NH2+]C3)CC2)CC1 ZINC000261687671 278709694 /nfs/dbraw/zinc/70/96/94/278709694.db2.gz ASMQLNJZXQEPNH-CTWPCTMYSA-N 2 0 307.526 2.818 20 0 DFADRP CC(C)[NH+]1CCN(CCC[NH2+][C@@H](C)C2CCC(F)CC2)CC1 ZINC000661997452 430916209 /nfs/dbraw/zinc/91/62/09/430916209.db2.gz ANNWITQPDCUQOA-AOCRQIFASA-N 2 0 313.505 2.909 20 0 DFADRP Cc1cc(Cl)cc(C[NH2+]CCCN2CCC[N@@H+](C)CC2)c1 ZINC000645154156 430918077 /nfs/dbraw/zinc/91/80/77/430918077.db2.gz BJIUSQVOCRAHFV-UHFFFAOYSA-N 2 0 309.885 2.766 20 0 DFADRP CCc1nccn1[C@H](C)CC(=O)NC[C@H]1[N@H+](C)CCCC1(C)C ZINC000648885970 430926182 /nfs/dbraw/zinc/92/61/82/430926182.db2.gz ZDGIULBWFKFMIZ-HUUCEWRRSA-N 2 0 320.481 2.633 20 0 DFADRP CC(C)[NH+]1CCC([NH2+][C@@H]2CCO[C@H](c3ccncc3)C2)CC1 ZINC000651966511 430928066 /nfs/dbraw/zinc/92/80/66/430928066.db2.gz OEIULSLRRKHBOY-MSOLQXFVSA-N 2 0 303.450 2.764 20 0 DFADRP C[NH+](C)CCOc1ccc(C[NH2+]C[C@@]2(O)CCCC2(C)C)cc1 ZINC000645191676 430929491 /nfs/dbraw/zinc/92/94/91/430929491.db2.gz GLQGLFDWPMUVQZ-IBGZPJMESA-N 2 0 320.477 2.658 20 0 DFADRP c1ncn(-c2ccccc2C[NH2+]CCCCC[NH+]2CCCC2)n1 ZINC000645198545 430931799 /nfs/dbraw/zinc/93/17/99/430931799.db2.gz GTHOIOLCUVAXBJ-UHFFFAOYSA-N 2 0 313.449 2.623 20 0 DFADRP C[NH+](C)[C@@H]1CCc2cc(NC(=O)NCC3([NH3+])CCCC3)ccc21 ZINC000659016408 430939935 /nfs/dbraw/zinc/93/99/35/430939935.db2.gz ZNPVZLNBWTXAAZ-MRXNPFEDSA-N 2 0 316.449 2.629 20 0 DFADRP c1cc(C[N@@H+]2CCC3(COC3)C2)cc(C[NH+]2CCCCC2)c1 ZINC000662073005 430948143 /nfs/dbraw/zinc/94/81/43/430948143.db2.gz KNDFRMOLTJLKER-UHFFFAOYSA-N 2 0 300.446 2.895 20 0 DFADRP C[C@H](c1ccccc1Cl)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000662154424 430981401 /nfs/dbraw/zinc/98/14/01/430981401.db2.gz FDJLJRKHRXQGRD-UKRRQHHQSA-N 2 0 308.853 2.932 20 0 DFADRP CCCc1ccc(CN2CCC([N@@H+]3CC[C@@H](O)C3)CC2)cc1 ZINC000662154606 430981542 /nfs/dbraw/zinc/98/15/42/430981542.db2.gz XZZYIEUFBSUABB-LJQANCHMSA-N 2 0 302.462 2.670 20 0 DFADRP CC[NH+]1CCC(NC(=O)C[N@@H+]2CCCC[C@H]2CC2CCC2)CC1 ZINC000662158792 430982444 /nfs/dbraw/zinc/98/24/44/430982444.db2.gz XIBUDZBSGHUFAB-SFHVURJKSA-N 2 0 321.509 2.632 20 0 DFADRP CCO[C@@H]1C[C@H]([NH2+]CCC[N@H+](C)CC(C)C)C12CCOCC2 ZINC000652221904 430992047 /nfs/dbraw/zinc/99/20/47/430992047.db2.gz ACBWZBBADXIMHX-DLBZAZTESA-N 2 0 312.498 2.528 20 0 DFADRP C[C@H]1[NH2+]CC[C@@H]1C(=O)Nc1cccc(C[NH+]2CCCCC2)c1 ZINC000645465118 431008906 /nfs/dbraw/zinc/00/89/06/431008906.db2.gz GLTOOOFEVRKRAU-PBHICJAKSA-N 2 0 301.434 2.609 20 0 DFADRP CC1CCC(OC2CC[NH+](C[C@@H]3CCC4(C[NH2+]C4)O3)CC2)CC1 ZINC000662258062 431019991 /nfs/dbraw/zinc/01/99/91/431019991.db2.gz SAFDUQAAYLDDEK-HTWSVDAQSA-N 2 0 322.493 2.567 20 0 DFADRP COc1ccc(-c2cc(CN3CC[C@]4(CC[NH2+]C4)C3)on2)cc1 ZINC000662264947 431021434 /nfs/dbraw/zinc/02/14/34/431021434.db2.gz FJQHUKRCTABGMP-SFHVURJKSA-N 2 0 313.401 2.536 20 0 DFADRP CCc1nccn1[C@@H]1CCC[N@H+](Cc2cccc3c2CC[NH2+]C3)C1 ZINC000662263606 431021900 /nfs/dbraw/zinc/02/19/00/431021900.db2.gz NMMYAUATRAAHGH-GOSISDBHSA-N 2 0 324.472 2.928 20 0 DFADRP c1cc2c(cc1C[N@@H+]1CCC[C@]3(CCCOC3)C1)C[NH2+]CC2 ZINC000652338164 431024640 /nfs/dbraw/zinc/02/46/40/431024640.db2.gz HGWQOKXFBCCEPZ-IBGZPJMESA-N 2 0 300.446 2.725 20 0 DFADRP [NH3+][C@@H]1CCO[C@H]([C@H]2CCC[N@H+](CCCc3ccccc3)C2)C1 ZINC000652345901 431025015 /nfs/dbraw/zinc/02/50/15/431025015.db2.gz ONUVWPDNCPVXHW-OTWHNJEPSA-N 2 0 302.462 2.838 20 0 DFADRP COc1cccc([C@H](C)[N@@H+]2CCC[C@H]([C@@H]3C[C@H]([NH3+])CCO3)C2)c1 ZINC000652348589 431027407 /nfs/dbraw/zinc/02/74/07/431027407.db2.gz JBBXCATUBOVQDF-RMRDIRSESA-N 2 0 318.461 2.975 20 0 DFADRP CCCc1nc(C[N@@H+]2CCC[C@H]([C@@H]3C[C@H]([NH3+])CCO3)C2)cs1 ZINC000652348425 431027555 /nfs/dbraw/zinc/02/75/55/431027555.db2.gz DGRMUMSTEMKIDG-LZWOXQAQSA-N 2 0 323.506 2.814 20 0 DFADRP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCC[N@H+](CCCOc3ccccc3)C2)C1 ZINC000652346815 431027679 /nfs/dbraw/zinc/02/76/79/431027679.db2.gz IPWQSRPWGNAIDG-ZHALLVOQSA-N 2 0 318.461 2.674 20 0 DFADRP C[C@@H](C(=O)Nc1ccccc1Cl)N1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000652351193 431028153 /nfs/dbraw/zinc/02/81/53/431028153.db2.gz LYZIKBXGYRTEOT-DCGLDWPTSA-N 2 0 321.852 2.728 20 0 DFADRP CCC(C)(C)[NH+]1CCN(C(=O)[C@@H](C)[C@@H]([NH3+])c2ccccc2)CC1 ZINC000655494836 431028989 /nfs/dbraw/zinc/02/89/89/431028989.db2.gz OQNPSIBNUDOSON-DOTOQJQBSA-N 2 0 317.477 2.655 20 0 DFADRP COc1ccc([C@H](C[NH3+])C[N@@H+]2CCC[C@@H](OC(C)C)C2)cc1 ZINC000652353197 431029724 /nfs/dbraw/zinc/02/97/24/431029724.db2.gz OXNIYUXSERISFD-SJLPKXTDSA-N 2 0 306.450 2.627 20 0 DFADRP CCC[C@H]([NH2+]C[C@H]1CCC2(C[NH2+]C2)O1)c1ccc(F)cc1F ZINC000662283522 431031800 /nfs/dbraw/zinc/03/18/00/431031800.db2.gz USQRFXJWALFDDA-CJNGLKHVSA-N 2 0 310.388 2.917 20 0 DFADRP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCC[N@@H+]2CCOc2ccccc2F)C1 ZINC000652360375 431032331 /nfs/dbraw/zinc/03/23/31/431032331.db2.gz GHQGYXWWULHCAT-HFTRVMKXSA-N 2 0 322.424 2.565 20 0 DFADRP Cc1cc(C2CC[NH+](Cc3cccc4c3CC[NH2+]C4)CC2)[nH]n1 ZINC000662280323 431032596 /nfs/dbraw/zinc/03/25/96/431032596.db2.gz OAVFFAVYWXVMQZ-UHFFFAOYSA-N 2 0 310.445 2.743 20 0 DFADRP Cn1nccc1[C@@H]1CCCC[N@@H+]1Cc1cccc2c1CC[NH2+]C2 ZINC000662279668 431033147 /nfs/dbraw/zinc/03/31/47/431033147.db2.gz AUMFVVOXYACANV-IBGZPJMESA-N 2 0 310.445 2.793 20 0 DFADRP c1ccc(C[C@@H]2CCCC[C@@H]2[NH2+]C[C@@H]2CCC3(C[NH2+]C3)O2)cc1 ZINC000662283494 431033748 /nfs/dbraw/zinc/03/37/48/431033748.db2.gz UEESQYOLKSTSSU-FHWLQOOXSA-N 2 0 314.473 2.899 20 0 DFADRP c1ccc(CCC[C@@H]2CCC[N@@H+]2C[C@@H]2CCC3(C[NH2+]C3)O2)cc1 ZINC000662283564 431033770 /nfs/dbraw/zinc/03/37/70/431033770.db2.gz AONOQTKDXBDXPW-MOPGFXCFSA-N 2 0 314.473 2.995 20 0 DFADRP c1ccc(COCC[N@@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)cc1 ZINC000662292185 431036118 /nfs/dbraw/zinc/03/61/18/431036118.db2.gz BXGVCFBXAGKKHK-IBGZPJMESA-N 2 0 302.462 2.915 20 0 DFADRP CC(C)c1ccc2c(c1)C[N@@H+](C[C@@H]1CCC3(C[NH2+]C3)O1)CC2 ZINC000662298656 431037914 /nfs/dbraw/zinc/03/79/14/431037914.db2.gz DRUGZAJUHKODJC-SFHVURJKSA-N 2 0 300.446 2.689 20 0 DFADRP CC(=O)Nc1cccc(C[N@@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)c1 ZINC000662299024 431038349 /nfs/dbraw/zinc/03/83/49/431038349.db2.gz ZHULQVIMRDDHQP-GOSISDBHSA-N 2 0 315.461 2.857 20 0 DFADRP CC1(C)CO[C@H](c2cccc(F)c2)C[N@@H+]1CC[C@@H]1CC[NH2+]C1 ZINC000662310240 431041629 /nfs/dbraw/zinc/04/16/29/431041629.db2.gz IMWHYWHOXSWXFL-YOEHRIQHSA-N 2 0 306.425 2.977 20 0 DFADRP C[C@@H]1CCC[N@H+](CC(=O)Nc2cccc(F)c2)[C@@H]1CCC[NH3+] ZINC000662313081 431042195 /nfs/dbraw/zinc/04/21/95/431042195.db2.gz INIBDHKYRWPYFX-CZUORRHYSA-N 2 0 307.413 2.604 20 0 DFADRP C[C@@H]1CCC[N@H+](CC(=O)N2[C@H](C)CCC[C@@H]2C)[C@@H]1CCC[NH3+] ZINC000662313004 431042470 /nfs/dbraw/zinc/04/24/70/431042470.db2.gz DYIVRDGWQSPMJI-WCXIOVBPSA-N 2 0 309.498 2.615 20 0 DFADRP C[C@@H]1CCC[N@H+](Cc2nc(CC(F)(F)F)no2)[C@@H]1CCC[NH3+] ZINC000662315053 431043706 /nfs/dbraw/zinc/04/37/06/431043706.db2.gz SCXXVVDUEBOOCZ-GHMZBOCLSA-N 2 0 320.359 2.514 20 0 DFADRP C[C@@H]1CCC[N@H+](CC(=O)N(C)[C@@H]2CCCC[C@@H]2C)[C@@H]1CCC[NH3+] ZINC000662313585 431043791 /nfs/dbraw/zinc/04/37/91/431043791.db2.gz IZZSBBIRSBHGKF-BSDSXHPESA-N 2 0 323.525 2.863 20 0 DFADRP COc1ccc([C@H](C)C[N@@H+]2CCO[C@@H](CCC[NH+](C)C)C2)cc1 ZINC000662325065 431045880 /nfs/dbraw/zinc/04/58/80/431045880.db2.gz BLWLLUGAZBGMOF-APWZRJJASA-N 2 0 320.477 2.841 20 0 DFADRP C[NH+](C)CCC[C@H]1C[N@H+](C[C@H]2CCCCC2(F)F)CCO1 ZINC000662325749 431047735 /nfs/dbraw/zinc/04/77/35/431047735.db2.gz JKIXERGVCCFAEB-CABCVRRESA-N 2 0 304.425 2.855 20 0 DFADRP CN(CC(C)(C)[NH3+])C(=O)NCC1([NH+]2CCCCC2)CCCCC1 ZINC000659424784 431055608 /nfs/dbraw/zinc/05/56/08/431055608.db2.gz FWMAGQPBTFBKMJ-UHFFFAOYSA-N 2 0 324.513 2.554 20 0 DFADRP C[C@H]1CCC[N@H+](Cc2ccc(NC(=O)[C@@H]3C[C@H]4C[C@H]4[NH2+]3)cc2)C1 ZINC000649288266 431057333 /nfs/dbraw/zinc/05/73/33/431057333.db2.gz GYNBRDJBDXHTLY-NZPGVSJUSA-N 2 0 313.445 2.607 20 0 DFADRP [NH3+]C[C@@H]1CCC[C@H]1C(=O)Nc1ccc(CC[NH+]2CCCC2)cc1 ZINC000649305777 431063715 /nfs/dbraw/zinc/06/37/15/431063715.db2.gz ADOAMZJNISAUQZ-FUHWJXTLSA-N 2 0 315.461 2.638 20 0 DFADRP CC(C)([NH3+])CCC(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000649312870 431065842 /nfs/dbraw/zinc/06/58/42/431065842.db2.gz FWFGHJSXPIJSRU-UHFFFAOYSA-N 2 0 321.490 2.691 20 0 DFADRP CC[C@@H]([NH2+]C)C(=O)Nc1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000662389224 431068280 /nfs/dbraw/zinc/06/82/80/431068280.db2.gz WDIUIOUEHUKNDG-WMLDXEAASA-N 2 0 303.450 2.855 20 0 DFADRP C[N@@H+](Cc1ccc(C(C)(C)C)cc1)C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662249068 431012397 /nfs/dbraw/zinc/01/23/97/431012397.db2.gz ILOMPSZKNLRDNB-KRWDZBQOSA-N 2 0 302.462 2.937 20 0 DFADRP C[C@@H]([NH3+])C1CC[NH+](Cc2cccc(F)c2OC(F)F)CC1 ZINC000662247577 431012455 /nfs/dbraw/zinc/01/24/55/431012455.db2.gz YCCGSABEGZILES-SNVBAGLBSA-N 2 0 302.340 2.986 20 0 DFADRP CC[NH+](CC)[C@@H](CNC(=O)C[C@H]([NH3+])C(C)C)c1ccsc1 ZINC000645485334 431014081 /nfs/dbraw/zinc/01/40/81/431014081.db2.gz JQLUDZZUHCBMAI-GJZGRUSLSA-N 2 0 311.495 2.621 20 0 DFADRP OC[C@H](CCF)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H]2CCC[C@H]21 ZINC000652300574 431014518 /nfs/dbraw/zinc/01/45/18/431014518.db2.gz HBIJYNNXSVQCBM-INDMIFKZSA-N 2 0 320.452 2.740 20 0 DFADRP CC[C@@H](C(=O)N[C@H](C[NH+]1CCCCC1)c1ccccc1)[NH+](C)C ZINC000665724477 431015488 /nfs/dbraw/zinc/01/54/88/431015488.db2.gz CIPFWJQWTQRYPB-MSOLQXFVSA-N 2 0 317.477 2.670 20 0 DFADRP Fc1cccc(CC2CC[NH+](C[C@@H]3CCC4(C[NH2+]C4)O3)CC2)c1 ZINC000662252406 431016213 /nfs/dbraw/zinc/01/62/13/431016213.db2.gz NJVXSKDFBUDZSP-SFHVURJKSA-N 2 0 318.436 2.601 20 0 DFADRP C[C@@H]1CC[N@H+](C[C@@H]2CCC3(C[NH2+]C3)O2)[C@@H]1c1cccc(F)c1 ZINC000662256234 431018187 /nfs/dbraw/zinc/01/81/87/431018187.db2.gz HQQSCZHHDJIFFB-COXVUDFISA-N 2 0 304.409 2.730 20 0 DFADRP C[C@@H]1C[C@H](c2cccc(F)c2)[N@H+](C[C@@H]2CCC3(C[NH2+]C3)O2)C1 ZINC000662256598 431018888 /nfs/dbraw/zinc/01/88/88/431018888.db2.gz WSQBBNGYUKYCSR-XOKHGSTOSA-N 2 0 304.409 2.730 20 0 DFADRP C[NH+](C)Cc1ccc(NC2CC[NH+](C[C@@H]3CCCO3)CC2)cc1 ZINC000655745125 431110929 /nfs/dbraw/zinc/11/09/29/431110929.db2.gz AYIWJODHVFASCP-IBGZPJMESA-N 2 0 317.477 2.804 20 0 DFADRP C[C@@H]1CC[C@H]([NH2+]Cc2ccccc2C[N@@H+]2CC[C@@H](O)C2)CS1 ZINC000655750981 431112430 /nfs/dbraw/zinc/11/24/30/431112430.db2.gz ILEPVSCJTNOKLH-FHLIZLRMSA-N 2 0 320.502 2.627 20 0 DFADRP C[C@@H]([NH2+][C@]1(CO)CCCN(Cc2ccccc2)C1)[C@H]1C[C@H]1C ZINC000666120281 431120880 /nfs/dbraw/zinc/12/08/80/431120880.db2.gz JOHIVJUNZLJFRO-ZAWLATJESA-N 2 0 302.462 2.648 20 0 DFADRP C[C@@H]1CCC[C@@](CNC(=O)c2cccc3c2C[NH2+]C3)([NH+](C)C)C1 ZINC000662400755 431072317 /nfs/dbraw/zinc/07/23/17/431072317.db2.gz FLRABBJVOTUSPB-AUUYWEPGSA-N 2 0 315.461 2.530 20 0 DFADRP CC[NH+](CC)C[C@@H](C)NC(=O)c1ccc2c(c1)[C@@H](C[NH3+])CCC2 ZINC000662416443 431075540 /nfs/dbraw/zinc/07/55/40/431075540.db2.gz YGFPMYCRCUBVBR-RHSMWYFYSA-N 2 0 317.477 2.525 20 0 DFADRP CC[C@@H]([NH2+]C)C(=O)Nc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000662416424 431075802 /nfs/dbraw/zinc/07/58/02/431075802.db2.gz CRDHIYCTFFRTRS-QGZVFWFLSA-N 2 0 303.450 2.999 20 0 DFADRP CC(C)[C@H]([NH3+])CC(=O)N1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000649378496 431082588 /nfs/dbraw/zinc/08/25/88/431082588.db2.gz AGEWSGUWOLRADC-SJLPKXTDSA-N 2 0 323.525 2.863 20 0 DFADRP C[C@@H]1CCCC[N@@H+]1CCC1CCN(C(=O)CC2([NH3+])CCC2)CC1 ZINC000649378071 431082673 /nfs/dbraw/zinc/08/26/73/431082673.db2.gz MIWDCQNCEAGRDW-MRXNPFEDSA-N 2 0 321.509 2.761 20 0 DFADRP Cc1cncc(-c2nc(CN3CCC[C@H](c4ncc[nH]4)C3)no2)c1 ZINC000649383020 431083356 /nfs/dbraw/zinc/08/33/56/431083356.db2.gz NVNBNIPDJITYNP-ZDUSSCGKSA-N 2 0 324.388 2.543 20 0 DFADRP CC(C)[NH2+]CC(=O)NCC1([NH2+][C@@H](C)c2ccccc2)CCCC1 ZINC000662450523 431083318 /nfs/dbraw/zinc/08/33/18/431083318.db2.gz BEPTWQVPIJQRLG-INIZCTEOSA-N 2 0 317.477 2.764 20 0 DFADRP CCCC[N@H+](C)CCNC(=O)c1ccc2c(c1)[C@@H](C[NH3+])CCC2 ZINC000662457825 431086843 /nfs/dbraw/zinc/08/68/43/431086843.db2.gz SMKSPIOBYHYKCR-QGZVFWFLSA-N 2 0 317.477 2.527 20 0 DFADRP COc1c(C)cnc(C[N@@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)c1C ZINC000649417994 431096237 /nfs/dbraw/zinc/09/62/37/431096237.db2.gz TXRCBPOYIXRXEL-IAGOWNOFSA-N 2 0 317.477 2.919 20 0 DFADRP Cn1c2ccccc2nc1CC[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000649415221 431096783 /nfs/dbraw/zinc/09/67/83/431096783.db2.gz QCMPHBPFYKBXOR-HOTGVXAUSA-N 2 0 312.461 2.580 20 0 DFADRP CC[NH+](CC)Cc1ccccc1C[NH2+]CC1(OC)CCOCC1 ZINC000277121413 279138934 /nfs/dbraw/zinc/13/89/34/279138934.db2.gz YPWTZHPBIPIUJU-UHFFFAOYSA-N 2 0 320.477 2.814 20 0 DFADRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+][C@@H]1C[C@H](c2ccccc2)[C@@H]1C ZINC000372107737 279264007 /nfs/dbraw/zinc/26/40/07/279264007.db2.gz HZMKLQDKBDNQCF-LCLWPZTBSA-N 2 0 315.505 2.794 20 0 DFADRP CC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H](c1ccc(C)cc1)[NH+](C)C ZINC000354266421 279266932 /nfs/dbraw/zinc/26/69/32/279266932.db2.gz NMDURNVAMONPIO-QZTJIDSGSA-N 2 0 317.477 2.588 20 0 DFADRP CC[N@@H+]1CCCC[C@H]1C(=O)NCCCC[NH+]1CCCC[C@@H]1C ZINC000104145394 279277853 /nfs/dbraw/zinc/27/78/53/279277853.db2.gz TXJSLPRYNXDJIK-IRXDYDNUSA-N 2 0 309.498 2.632 20 0 DFADRP CC[NH+]1CCN([C@H]2CC[N@@H+]([C@H](C)c3ccccc3C)C2)CC1 ZINC000247935509 279372821 /nfs/dbraw/zinc/37/28/21/279372821.db2.gz CKPFLCOXEFJQJV-MSOLQXFVSA-N 2 0 301.478 2.768 20 0 DFADRP CC(C)[N@H+](C)Cc1cccc(CNC(=O)[C@@H]2CCC[C@@H]2C[NH3+])c1 ZINC000261666212 279384081 /nfs/dbraw/zinc/38/40/81/279384081.db2.gz FORJAQQDUYEFIF-QZTJIDSGSA-N 2 0 317.477 2.518 20 0 DFADRP CCC[N@@H+]1CC[C@H](NC(=O)CC[C@@H]([NH3+])CC2CCCCC2)C1 ZINC000662704286 431168507 /nfs/dbraw/zinc/16/85/07/431168507.db2.gz YHGYSKCIJPHBBF-SJORKVTESA-N 2 0 309.498 2.665 20 0 DFADRP C[NH+](C)[C@H]1C[C@@H](C[NH2+]Cc2ccc(OC[C@H]3CCCO3)cc2)C1 ZINC000655826567 431170420 /nfs/dbraw/zinc/17/04/20/431170420.db2.gz JAWFXWGIPVHMMC-ZIFCJYIRSA-N 2 0 318.461 2.674 20 0 DFADRP C[NH+](C)[C@H]1C[C@@H](C[NH2+]Cc2c(F)cccc2N2CCCC2)C1 ZINC000655826403 431170436 /nfs/dbraw/zinc/17/04/36/431170436.db2.gz VBEHKILPBRLWGG-GASCZTMLSA-N 2 0 305.441 2.856 20 0 DFADRP CCN(C[C@H]1CCC[N@@H+]1C)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000649585839 431177043 /nfs/dbraw/zinc/17/70/43/431177043.db2.gz HZZKWCXXCAMTQQ-MOPGFXCFSA-N 2 0 301.478 2.677 20 0 DFADRP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+][C@@H](C)Cc1ccccn1 ZINC000655844720 431185211 /nfs/dbraw/zinc/18/52/11/431185211.db2.gz VUIWLVYFTBVSFU-AWEZNQCLSA-N 2 0 307.401 2.692 20 0 DFADRP C[NH+]1CCC2(CC1)C[N@H+](C[C@H]1CCCCC1(F)F)CCO2 ZINC000646106869 431193461 /nfs/dbraw/zinc/19/34/61/431193461.db2.gz WYVKXNPXZUTKJX-CQSZACIVSA-N 2 0 302.409 2.609 20 0 DFADRP C[NH+]1CCC2(CC1)C[N@H+](C[C@@H]1CCCCC1(F)F)CCO2 ZINC000646106867 431193648 /nfs/dbraw/zinc/19/36/48/431193648.db2.gz WYVKXNPXZUTKJX-AWEZNQCLSA-N 2 0 302.409 2.609 20 0 DFADRP Cc1ccc(OC2CCN(C[C@@H](O)C[N@@H+](C)C(C)C)CC2)cc1 ZINC000659935373 431197044 /nfs/dbraw/zinc/19/70/44/431197044.db2.gz PPEXTWYOWMKESL-KRWDZBQOSA-N 2 0 320.477 2.539 20 0 DFADRP C[C@H]([NH2+]C1(CNC2=[NH+]CCCN2)CCCC1)c1ccccc1 ZINC000263163366 279451910 /nfs/dbraw/zinc/45/19/10/279451910.db2.gz PMWVFAWRLBYJAN-HNNXBMFYSA-N 2 0 300.450 2.589 20 0 DFADRP Cn1ccnc1[C@@H]([NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1)c1cccc(F)c1 ZINC000655804796 431153905 /nfs/dbraw/zinc/15/39/05/431153905.db2.gz BTXIAMLNRVNOKY-XKQJLSEDSA-N 2 0 316.424 2.578 20 0 DFADRP CC[NH+](CC)CCCNC(=O)c1ccc2c(c1)[C@@H](C[NH3+])CCC2 ZINC000662658449 431153978 /nfs/dbraw/zinc/15/39/78/431153978.db2.gz FTCDVZPHDOKEJQ-QGZVFWFLSA-N 2 0 317.477 2.527 20 0 DFADRP C[C@@H](c1ccccc1)N1CC[C@H]([NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)C1 ZINC000655806144 431156416 /nfs/dbraw/zinc/15/64/16/431156416.db2.gz PSHACOKRVJFBOE-PBWTXFEYSA-N 2 0 301.478 2.752 20 0 DFADRP C[NH+](C)[C@H]1C[C@@H](C[NH2+][C@@H](c2ccc(F)cc2)c2cnccn2)C1 ZINC000655805141 431156881 /nfs/dbraw/zinc/15/68/81/431156881.db2.gz JJXAZILNWNSXJB-XCRHUMRWSA-N 2 0 314.408 2.635 20 0 DFADRP CC[NH+](CC)[C@@H](C(=O)NC[C@@H]1CC[C@H](C)[N@@H+]1C)c1ccccc1 ZINC000646040212 431158502 /nfs/dbraw/zinc/15/85/02/431158502.db2.gz DKOTZVBBOARHMD-RYQLBKOJSA-N 2 0 317.477 2.668 20 0 DFADRP C[C@@H]([NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000655805367 431158844 /nfs/dbraw/zinc/15/88/44/431158844.db2.gz GRQJEFLFYSPRDM-NFAWXSAZSA-N 2 0 315.461 2.907 20 0 DFADRP C[NH+](C)[C@H](CNC(=O)c1cccc2c1C[NH2+]C2)C1CCCCC1 ZINC000662679544 431159268 /nfs/dbraw/zinc/15/92/68/431159268.db2.gz QDZANUVWRXBYDQ-GOSISDBHSA-N 2 0 315.461 2.530 20 0 DFADRP Cc1cc(C[N@@H+]2CC[C@@H](CNc3cccc(C)[nH+]3)C2)nc(C)n1 ZINC000659944848 431204620 /nfs/dbraw/zinc/20/46/20/431204620.db2.gz WMUDNCQSJMTFIZ-INIZCTEOSA-N 2 0 311.433 2.731 20 0 DFADRP c1c(C[NH+]2CCC(OCC[NH+]3CCCC3)CC2)onc1C1CC1 ZINC000659973243 431216612 /nfs/dbraw/zinc/21/66/12/431216612.db2.gz BFPZWKYGVUCTTN-UHFFFAOYSA-N 2 0 319.449 2.629 20 0 DFADRP C[C@@H]1CCCN(C(=O)CC2(C[NH3+])CCCCC2)[C@@H]1CCC[NH3+] ZINC000662893740 431232126 /nfs/dbraw/zinc/23/21/26/431232126.db2.gz QEEGVRVEMSEKIG-HZPDHXFCSA-N 2 0 309.498 2.652 20 0 DFADRP C[C@@H](C(=O)N1CCC[C@@H](C)[C@H]1CCC[NH3+])[NH+]1CCCCCC1 ZINC000662893744 431233489 /nfs/dbraw/zinc/23/34/89/431233489.db2.gz QFAORNLBXCSZKF-IXDOHACOSA-N 2 0 309.498 2.617 20 0 DFADRP [NH3+][C@@H]1CCCCCC[C@H]1C(=O)NCC1CC[NH+](CC2CC2)CC1 ZINC000662971413 431246645 /nfs/dbraw/zinc/24/66/45/431246645.db2.gz GQRBIAGJEFLEJA-QZTJIDSGSA-N 2 0 321.509 2.522 20 0 DFADRP C[C@@H]1C[C@@H](CCNC(=O)CC(C)(C)[NH3+])C[N@@H+]1Cc1ccccc1 ZINC000646264405 431248558 /nfs/dbraw/zinc/24/85/58/431248558.db2.gz ZVIDXBDHANKCLV-NVXWUHKLSA-N 2 0 317.477 2.531 20 0 DFADRP CC(C)[NH2+]CCC(=O)N[C@H](C[NH+]1CCCCC1)c1ccccc1 ZINC000646410081 431299916 /nfs/dbraw/zinc/29/99/16/431299916.db2.gz PRFVHELYXMTYIQ-GOSISDBHSA-N 2 0 317.477 2.718 20 0 DFADRP C[C@H](Cc1ccccn1)[NH2+][C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000656201469 431305730 /nfs/dbraw/zinc/30/57/30/431305730.db2.gz PTJDGYCFDCVHLN-BPAFIMBUSA-N 2 0 323.440 2.858 20 0 DFADRP CC[N@H+](CCCNC(=O)CC[C@H]1CCC[NH2+]1)C1CCCCC1 ZINC000653201050 431306728 /nfs/dbraw/zinc/30/67/28/431306728.db2.gz YIWIETUDGYKDOT-MRXNPFEDSA-N 2 0 309.498 2.680 20 0 DFADRP CC[N@H+](CCCNC(=O)[C@]1(C)CCC[NH2+]C1)C1CCCCC1 ZINC000653200407 431307171 /nfs/dbraw/zinc/30/71/71/431307171.db2.gz CZOGIZYZLCYKGG-GOSISDBHSA-N 2 0 309.498 2.537 20 0 DFADRP CC[N@H+](CCCNC(=O)[C@@H]1CC12CC[NH2+]CC2)C1CCCCC1 ZINC000653200391 431307212 /nfs/dbraw/zinc/30/72/12/431307212.db2.gz CTHRVPQBYSZRMJ-KRWDZBQOSA-N 2 0 321.509 2.537 20 0 DFADRP CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)[C@@H]2CC[C@@H](C3CC3)[NH2+]2)C1 ZINC000653119523 431271017 /nfs/dbraw/zinc/27/10/17/431271017.db2.gz MNCJMUZOBAOYOA-PVAVHDDUSA-N 2 0 321.509 2.534 20 0 DFADRP CC[NH+](CC)[C@@H](CNC(=O)[C@@H]1CCC[NH2+]CC1)c1ccsc1 ZINC000653110065 431271223 /nfs/dbraw/zinc/27/12/23/431271223.db2.gz WSAPOBSQAVQRON-ZBFHGGJFSA-N 2 0 323.506 2.637 20 0 DFADRP CC[N@H+](Cc1ccc(CN2CCOCC2)cc1)[C@H]1CCCOC1 ZINC000649754253 431273338 /nfs/dbraw/zinc/27/33/38/431273338.db2.gz HQLGPGUWFSDDKL-IBGZPJMESA-N 2 0 318.461 2.520 20 0 DFADRP O[C@@H](C[NH2+][C@H]1CCCC[C@H]1CC(F)(F)F)C[NH+]1CCCC1 ZINC000649837024 431322404 /nfs/dbraw/zinc/32/24/04/431322404.db2.gz YXQLYYUJSSDZSV-IHRRRGAJSA-N 2 0 308.388 2.544 20 0 DFADRP Cc1cc(CN[C@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)nc(C)n1 ZINC000660256674 431346104 /nfs/dbraw/zinc/34/61/04/431346104.db2.gz MVOUNKFZABBYFC-ZBFHGGJFSA-N 2 0 302.466 2.836 20 0 DFADRP CCc1noc(C2CCC([NH2+]C3C[C@H]4CC[C@@H](C3)[NH2+]4)CC2)n1 ZINC000666762028 431347857 /nfs/dbraw/zinc/34/78/57/431347857.db2.gz NOLBZCXANYKRND-QRFUTXMCSA-N 2 0 304.438 2.531 20 0 DFADRP CCc1ccccc1NC(=O)C[C@H](C)NC[C@@H]1CCCC[NH2+]1 ZINC000666770244 431352023 /nfs/dbraw/zinc/35/20/23/431352023.db2.gz QBHYPFJRRZUIQU-HOCLYGCPSA-N 2 0 303.450 2.698 20 0 DFADRP Cn1cc(CNC[C@H]2CCC[NH2+]2)c(-c2cc3ccccc3o2)n1 ZINC000666783280 431355318 /nfs/dbraw/zinc/35/53/18/431355318.db2.gz WBOKRJRROMLDBM-OAHLLOKOSA-N 2 0 310.401 2.675 20 0 DFADRP CC(C)C[C@@H](C[NH3+])NCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000666798868 431363694 /nfs/dbraw/zinc/36/36/94/431363694.db2.gz NNSSJOSENDJHBU-SFHVURJKSA-N 2 0 319.493 2.624 20 0 DFADRP c1ccc(COc2cccc(C[NH2+][C@@H]3CC34CC[NH2+]CC4)c2)nc1 ZINC000666950868 431419276 /nfs/dbraw/zinc/41/92/76/431419276.db2.gz OBOIOCRKIZSIMI-LJQANCHMSA-N 2 0 323.440 2.892 20 0 DFADRP CC[N@H+](C)C[C@@H](O)C[NH+]1CCC[C@H](Cc2ccc(C)cc2)C1 ZINC000653525839 431420484 /nfs/dbraw/zinc/42/04/84/431420484.db2.gz INIBHCIDVBNFDU-RTBURBONSA-N 2 0 304.478 2.562 20 0 DFADRP FC(F)(F)Oc1ccc(C[NH2+][C@H]2CC23CC[NH2+]CC3)cc1 ZINC000666950674 431420550 /nfs/dbraw/zinc/42/05/50/431420550.db2.gz AEGPHSJQVULSMC-ZDUSSCGKSA-N 2 0 300.324 2.817 20 0 DFADRP Fc1ccc(C[NH2+][C@@H]2CC23CC[NH2+]CC3)c(Br)c1 ZINC000666952505 431423145 /nfs/dbraw/zinc/42/31/45/431423145.db2.gz YVNOMZWWJOWWBC-CYBMUJFWSA-N 2 0 313.214 2.820 20 0 DFADRP COc1cc(C[NH2+]C[C@H]2CCC[N@H+](CC3CC3)C2)cc(OC)c1 ZINC000663347039 431375230 /nfs/dbraw/zinc/37/52/30/431375230.db2.gz GIUIUGBLVKOZGW-MRXNPFEDSA-N 2 0 318.461 2.915 20 0 DFADRP CCOc1cc(C[NH2+][C@H]2CCC[NH2+]CC2)cc(Cl)c1OC ZINC000666853913 431383654 /nfs/dbraw/zinc/38/36/54/431383654.db2.gz MKTKRTRLSFULDP-ZDUSSCGKSA-N 2 0 312.841 2.979 20 0 DFADRP CN(C(=O)CC[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2C)c1ccccc1 ZINC000663358657 431384078 /nfs/dbraw/zinc/38/40/78/431384078.db2.gz ARJBDMSQSCMNCZ-ZNXRZULTSA-N 2 0 315.461 2.644 20 0 DFADRP C[C@H](CC[NH+]1CCCOC[C@H]1C)CC[N@@H+]1CCCOC[C@@H]1C ZINC000663362063 431385663 /nfs/dbraw/zinc/38/56/63/431385663.db2.gz VBBREHWQGDEFEO-NNZMDNLPSA-N 2 0 312.498 2.624 20 0 DFADRP C[C@@H](CC(=O)Nc1cccc(Cl)c1)[NH2+][C@H]1CCC[NH2+]CC1 ZINC000666857859 431386417 /nfs/dbraw/zinc/38/64/17/431386417.db2.gz MULBTHSWHHDXPN-JSGCOSHPSA-N 2 0 309.841 2.789 20 0 DFADRP CC[C@@H](Cc1ccc(OC)c(OC)c1)[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000666858150 431386999 /nfs/dbraw/zinc/38/69/99/431386999.db2.gz ZZVUCEFEXGNPGF-JKSUJKDBSA-N 2 0 306.450 2.757 20 0 DFADRP CC[C@H](C)Oc1cc(C[NH2+][C@@H]2CC[NH2+]C[C@H]2C)ccc1OC ZINC000666879647 431393244 /nfs/dbraw/zinc/39/32/44/431393244.db2.gz UKRNQCDGNAYAPN-IJEWVQPXSA-N 2 0 306.450 2.960 20 0 DFADRP Cn1cc(C[NH2+][C@H]2CC[NH2+]C3(CCC3)C2)c(-c2cccs2)n1 ZINC000666997014 431437481 /nfs/dbraw/zinc/43/74/81/431437481.db2.gz RDTPTBQXDGJUSW-AWEZNQCLSA-N 2 0 316.474 2.913 20 0 DFADRP c1ccc(C[NH+]2CCC(N[C@@H]3CC[NH2+]C4(CCC4)C3)CC2)cc1 ZINC000666995505 431438154 /nfs/dbraw/zinc/43/81/54/431438154.db2.gz PRFLECOREWGOJG-LJQANCHMSA-N 2 0 313.489 2.915 20 0 DFADRP CN(Cc1ccccc1)[C@H]1CC[N@H+](CCCc2cncn2C)C1 ZINC000653566488 431439901 /nfs/dbraw/zinc/43/99/01/431439901.db2.gz VPVKKGDNDORNBD-IBGZPJMESA-N 2 0 312.461 2.559 20 0 DFADRP c1csc(-c2n[nH]cc2C[NH2+][C@H]2CC[NH2+]C3(CCC3)C2)c1 ZINC000666998450 431440387 /nfs/dbraw/zinc/44/03/87/431440387.db2.gz UTBHCCHKTCJBJB-ZDUSSCGKSA-N 2 0 302.447 2.903 20 0 DFADRP C[C@@H]1C[NH2+]CC[C@H]1CN1CC[NH2+]C[C@@H]1c1ccccc1Cl ZINC000663495250 431444015 /nfs/dbraw/zinc/44/40/15/431444015.db2.gz WIEIYBDPNLAMBV-JKIFEVAISA-N 2 0 307.869 2.532 20 0 DFADRP CC(C)[C@H]([NH3+])CC[NH2+]Cc1cnn(-c2ccc(Cl)cc2)c1 ZINC000663497951 431444861 /nfs/dbraw/zinc/44/48/61/431444861.db2.gz IWBNBVWTTJHAGU-MRXNPFEDSA-N 2 0 306.841 2.989 20 0 DFADRP CC(C)[C@H]([NH3+])CC[NH2+]Cc1ccc(Oc2cnccn2)cc1 ZINC000663499288 431445133 /nfs/dbraw/zinc/44/51/33/431445133.db2.gz IGZXSPUGIFGPGL-MRXNPFEDSA-N 2 0 300.406 2.732 20 0 DFADRP Cn1cncc1CCC[NH+]1CCC(CCC[NH+]2CCCC2)CC1 ZINC000653588719 431447105 /nfs/dbraw/zinc/44/71/05/431447105.db2.gz DUFWALANYDLAJR-UHFFFAOYSA-N 2 0 318.509 2.941 20 0 DFADRP CC[C@H]1CCC[C@H](C[NH2+]C2CCN(C(=O)CCC[NH2+]C)CC2)C1 ZINC000663505111 431449192 /nfs/dbraw/zinc/44/91/92/431449192.db2.gz DNWIUYMWWGLJAT-IRXDYDNUSA-N 2 0 323.525 2.783 20 0 DFADRP CCC[C@H](NC[C@H](O)C[N@H+](C)CC)c1ccc(F)cc1F ZINC000653607062 431455597 /nfs/dbraw/zinc/45/55/97/431455597.db2.gz RNGLNQRVZZLTTI-BBRMVZONSA-N 2 0 300.393 2.708 20 0 DFADRP c1ccc(C[N@@H+]2CCC[C@@H](c3nc([C@@H]4CCC[NH2+]4)no3)C2)cc1 ZINC000647151386 431479864 /nfs/dbraw/zinc/47/98/64/431479864.db2.gz DPNYIWVYRPDZEU-CVEARBPZSA-N 2 0 312.417 2.874 20 0 DFADRP COc1cccc(C[C@H](C)[NH2+]C[C@@H]2CCC[N@H+](CC3CC3)C2)n1 ZINC000663468775 431435625 /nfs/dbraw/zinc/43/56/25/431435625.db2.gz MRWNXFAIERBOCK-RDJZCZTQSA-N 2 0 317.477 2.733 20 0 DFADRP Cn1cnc2cc(C[N@@H+]3CCC[C@H](C4CC[NH2+]CC4)C3)ccc21 ZINC000656783927 431519011 /nfs/dbraw/zinc/51/90/11/431519011.db2.gz WJJXVGMMVFSOJK-KRWDZBQOSA-N 2 0 312.461 2.785 20 0 DFADRP Cc1cccn2c(C[N@@H+]3CCC[C@@H](C4CC[NH2+]CC4)C3)cnc12 ZINC000656786289 431522042 /nfs/dbraw/zinc/52/20/42/431522042.db2.gz RVWAUBQTLRIJSY-QGZVFWFLSA-N 2 0 312.461 2.854 20 0 DFADRP c1cc(C[NH2+]Cc2ccc3c(c2)C[NH2+]CC3)c2c(c1)NCCC2 ZINC000656787298 431522203 /nfs/dbraw/zinc/52/22/03/431522203.db2.gz WVBKWOGWCPUWSV-UHFFFAOYSA-N 2 0 307.441 2.980 20 0 DFADRP CC(C)[N@H+](C)C[C@@H](O)CN1CC[C@@H](c2cccc(Cl)c2)C1 ZINC000660632481 431522242 /nfs/dbraw/zinc/52/22/42/431522242.db2.gz OORMIFJMQNMAKF-NVXWUHKLSA-N 2 0 310.869 2.830 20 0 DFADRP CCOc1ccc(C[N@@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)nc1 ZINC000656786292 431522901 /nfs/dbraw/zinc/52/29/01/431522901.db2.gz RYQIXTNUDAKINT-INIZCTEOSA-N 2 0 303.450 2.692 20 0 DFADRP CN(C)c1ccccc1C[NH+]1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000656786697 431523079 /nfs/dbraw/zinc/52/30/79/431523079.db2.gz WMCPWLYQAPPPLH-QGZVFWFLSA-N 2 0 301.478 2.964 20 0 DFADRP CC(C)(C)c1n[nH]cc1C[N@@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000656786944 431523192 /nfs/dbraw/zinc/52/31/92/431523192.db2.gz XYKKWOCQJSFAAE-HNNXBMFYSA-N 2 0 304.482 2.919 20 0 DFADRP COc1ccc(OC)c(C[N@@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)c1 ZINC000656786212 431523448 /nfs/dbraw/zinc/52/34/48/431523448.db2.gz PTVGVLPJQCWFNG-INIZCTEOSA-N 2 0 318.461 2.915 20 0 DFADRP Cn1cc(C[NH+]2CCC([C@@H]3CCC[NH2+]C3)CC2)c(C(C)(C)C)n1 ZINC000656786183 431523544 /nfs/dbraw/zinc/52/35/44/431523544.db2.gz LWOGODQWOGJCKC-MRXNPFEDSA-N 2 0 318.509 2.929 20 0 DFADRP C[C@@]1(C[NH2+]C[C@H]2CCN(c3ccccc3Cl)C2)CC[NH2+]C1 ZINC000656787343 431523698 /nfs/dbraw/zinc/52/36/98/431523698.db2.gz HURXSIZGRJVBAF-RHSMWYFYSA-N 2 0 307.869 2.756 20 0 DFADRP C[C@@H](CC(=O)Nc1cccc(Cl)c1)[NH2+]CC1([NH3+])CCCC1 ZINC000656789604 431526173 /nfs/dbraw/zinc/52/61/73/431526173.db2.gz SBXXTRZSRADXTM-LBPRGKRZSA-N 2 0 309.841 2.918 20 0 DFADRP [NH3+]C1(CNC2CC[NH+](CCc3ccccc3)CC2)CCCC1 ZINC000656789635 431526654 /nfs/dbraw/zinc/52/66/54/431526654.db2.gz UACRXOGTKHNKTA-UHFFFAOYSA-N 2 0 301.478 2.555 20 0 DFADRP O[C@H]1CCCC[C@H]1[NH+]1CCC([NH2+]C2CCC(F)(F)CC2)CC1 ZINC000647192881 431505931 /nfs/dbraw/zinc/50/59/31/431505931.db2.gz BJNKQCHWTDMXRG-CVEARBPZSA-N 2 0 316.436 2.922 20 0 DFADRP C[N@@H+]1C[C@@H](C[NH2+][C@@H]2[C@H]3CCO[C@H]3C2(C)C)[C@H](c2ccccc2)C1 ZINC000647344237 431558916 /nfs/dbraw/zinc/55/89/16/431558916.db2.gz MHFOWKJLGKPQSH-UJWQCDCRSA-N 2 0 314.473 2.735 20 0 DFADRP CC(C)C[C@H]([NH2+]C1CCN(CC[NH+](C)C)CC1)c1ccncc1 ZINC000647282114 431535264 /nfs/dbraw/zinc/53/52/64/431535264.db2.gz AARFSZMARJPWOB-IBGZPJMESA-N 2 0 318.509 2.784 20 0 DFADRP C[C@H]1C[C@H](C)C[NH+](CCN2CC[N@H+](C)C3(CCCCC3)C2)C1 ZINC000660673392 431544016 /nfs/dbraw/zinc/54/40/16/431544016.db2.gz SJVOTROXZXKESR-ROUUACIJSA-N 2 0 307.526 2.915 20 0 DFADRP CC[C@@H](C(=O)N[C@@H](C[NH+](C)C)c1ccccc1)[NH+](CC)CC ZINC000274166419 280080508 /nfs/dbraw/zinc/08/05/08/280080508.db2.gz NACHQDDISFEPJA-IRXDYDNUSA-N 2 0 305.466 2.526 20 0 DFADRP C[C@](O)(C[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1)c1ccccc1 ZINC000246869589 280142407 /nfs/dbraw/zinc/14/24/07/280142407.db2.gz AJDVLMPWAIUREP-MOPGFXCFSA-N 2 0 302.462 2.844 20 0 DFADRP CC[C@@H]([NH2+]CCCC[N@@H+]1CCC[C@H]1CO)c1ccc(OC)cc1 ZINC000247932074 280186523 /nfs/dbraw/zinc/18/65/23/280186523.db2.gz CCLLFEFSDDULEJ-PKOBYXMFSA-N 2 0 320.477 2.973 20 0 DFADRP CC[C@@H]([NH2+]C[C@@H](C)CN1CC[NH+](C)CC1)c1cccc(OC)c1 ZINC000120840667 280188699 /nfs/dbraw/zinc/18/86/99/280188699.db2.gz KVHCJXPAWMUYQY-VQIMIIECSA-N 2 0 319.493 2.619 20 0 DFADRP CC[C@@H]([NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1)c1ccc(C(=O)OC)cc1 ZINC000293620121 280189451 /nfs/dbraw/zinc/18/94/51/280189451.db2.gz HACHJLDNUFPUCO-KBXCAEBGSA-N 2 0 316.445 2.998 20 0 DFADRP O=c1[nH]c2ccccc2cc1C[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000647480623 431603295 /nfs/dbraw/zinc/60/32/95/431603295.db2.gz VHMZCPHSIBOVSG-WBVHZDCISA-N 2 0 311.429 2.904 20 0 DFADRP CCOc1cccc(C[N@@H+]2CCC[C@H]([C@@H]3C[C@H]([NH3+])CCO3)C2)c1 ZINC000650705756 431654548 /nfs/dbraw/zinc/65/45/48/431654548.db2.gz UKTKFFIXKVVKQS-SCTDSRPQSA-N 2 0 318.461 2.804 20 0 DFADRP [NH3+][C@@H]1CCCO[C@H]1C1CC[NH+](Cc2cccc3c2CCC3)CC1 ZINC000650704357 431654691 /nfs/dbraw/zinc/65/46/91/431654691.db2.gz VDZQECZEQAOTRX-UXHICEINSA-N 2 0 314.473 2.894 20 0 DFADRP [NH3+][C@@H]1CCO[C@H]1C1CC[NH+](Cc2cccc3c2CCC3)CC1 ZINC000650703788 431654735 /nfs/dbraw/zinc/65/47/35/431654735.db2.gz RNYVRUUAPGFVJM-MOPGFXCFSA-N 2 0 300.446 2.504 20 0 DFADRP COCCCOc1cccc(C[N@@H+]2C[C@@H]3CCC[C@]3(C[NH3+])C2)c1 ZINC000650708854 431655879 /nfs/dbraw/zinc/65/58/79/431655879.db2.gz QWZYGIPPIXZNRF-HKUYNNGSSA-N 2 0 318.461 2.663 20 0 DFADRP COCCOc1ccc(C[N@@H+]2CCC[C@@H](C)[C@@H]2CC[NH3+])cc1 ZINC000650711240 431655961 /nfs/dbraw/zinc/65/59/61/431655961.db2.gz MRVXWKVRPFPEKF-QAPCUYQASA-N 2 0 306.450 2.661 20 0 DFADRP [NH3+]CC1(CC[NH2+]Cc2ccccc2OCc2ccccn2)CC1 ZINC000650712664 431659061 /nfs/dbraw/zinc/65/90/61/431659061.db2.gz OGTBJOUBXJMOMS-UHFFFAOYSA-N 2 0 311.429 2.879 20 0 DFADRP CC(CC[NH2+][C@]1(C)CCO[C@@H]1C)CC[NH2+][C@]1(C)CCO[C@@H]1C ZINC000664115994 431659283 /nfs/dbraw/zinc/65/92/83/431659283.db2.gz FRSSNQFKISWOQX-BRSBDYLESA-N 2 0 312.498 2.717 20 0 DFADRP [NH3+]CC1(CC[NH2+]Cc2csc(COc3ccccc3)n2)CC1 ZINC000650712347 431660283 /nfs/dbraw/zinc/66/02/83/431660283.db2.gz BFQDVRVHSTYKFW-UHFFFAOYSA-N 2 0 317.458 2.941 20 0 DFADRP CC(C)[N@H+](C)C[C@H](O)C[NH+]1C[C@H](c2ccccc2)C2(CCC2)C1 ZINC000660805248 431606393 /nfs/dbraw/zinc/60/63/93/431606393.db2.gz YWOGBLFFRKHGAF-RBUKOAKNSA-N 2 0 316.489 2.957 20 0 DFADRP CC[C@H]1C[N@H+](Cc2ccc(Oc3cnccn3)cc2)CC[C@@H]1[NH3+] ZINC000647499087 431608403 /nfs/dbraw/zinc/60/84/03/431608403.db2.gz ZGEJTZRKULLNMX-RDJZCZTQSA-N 2 0 312.417 2.828 20 0 DFADRP Cc1ccc(-c2nn(C)cc2C[N@@H+](C)CC[C@H]([NH3+])C(C)C)o1 ZINC000647505787 431610110 /nfs/dbraw/zinc/61/01/10/431610110.db2.gz DBPLUTQRPJNUFD-HNNXBMFYSA-N 2 0 304.438 2.794 20 0 DFADRP C[C@H]1CC[N@H+](Cc2ccccc2)CCN1C[C@H]1CCC[NH2+]C1 ZINC000647515486 431611264 /nfs/dbraw/zinc/61/12/64/431611264.db2.gz HRPOLKDJJOLTGM-HKUYNNGSSA-N 2 0 301.478 2.582 20 0 DFADRP C[C@H]1CC[N@H+](Cc2ccccc2)CCN1C[C@]1(C)CC[NH2+]C1 ZINC000647515630 431611681 /nfs/dbraw/zinc/61/16/81/431611681.db2.gz SKYZVTADYJOJQM-PKOBYXMFSA-N 2 0 301.478 2.582 20 0 DFADRP C[C@@H]1CC[N@H+](Cc2ccccc2)CCN1C[C@@]1(C)CC[NH2+]C1 ZINC000647515629 431612208 /nfs/dbraw/zinc/61/22/08/431612208.db2.gz SKYZVTADYJOJQM-MJGOQNOKSA-N 2 0 301.478 2.582 20 0 DFADRP CC(=O)Nc1ccc(C[N@@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)cc1 ZINC000647544257 431623673 /nfs/dbraw/zinc/62/36/73/431623673.db2.gz YTIQVGQECZVNPV-QZTJIDSGSA-N 2 0 315.461 2.857 20 0 DFADRP c1cc2c(cc1C[N@@H+]1CCC[C@H]([C@@H]3CCC[NH2+]C3)C1)OCCO2 ZINC000647543500 431625237 /nfs/dbraw/zinc/62/52/37/431625237.db2.gz OKLIQTOAZYFURT-SJORKVTESA-N 2 0 316.445 2.669 20 0 DFADRP Cc1cccc2ncc(C[N@@H+]3CCC[C@H]([C@@H]4CCC[NH2+]C4)C3)n21 ZINC000647543104 431625959 /nfs/dbraw/zinc/62/59/59/431625959.db2.gz HRQCFMRTTCARBE-SJORKVTESA-N 2 0 312.461 2.854 20 0 DFADRP CC[NH+]1CCN(c2ccc(N[C@@H]3C[NH2+]C[C@H](C)C3)c(C)c2)CC1 ZINC000647547762 431628330 /nfs/dbraw/zinc/62/83/30/431628330.db2.gz CFRQWYCPQJCEIB-WBVHZDCISA-N 2 0 316.493 2.547 20 0 DFADRP c1cc(CCC[NH2+][C@@H]2CC[NH2+]C23CCCC3)cc2c1OCC2 ZINC000647554394 431630827 /nfs/dbraw/zinc/63/08/27/431630827.db2.gz YPVBZPXOJCQPEG-GOSISDBHSA-N 2 0 300.446 2.818 20 0 DFADRP CCc1noc(C2CCC([NH2+]Cc3ccc(C[NH3+])cc3)CC2)n1 ZINC000647553256 431631045 /nfs/dbraw/zinc/63/10/45/431631045.db2.gz MVSAGRGEURDFQK-UHFFFAOYSA-N 2 0 314.433 2.907 20 0 DFADRP COc1cccc(-c2n[nH]cc2C[NH+]2CCC(CC[NH3+])CC2)c1 ZINC000650720823 431665055 /nfs/dbraw/zinc/66/50/55/431665055.db2.gz BZWKSRBPFONVPS-UHFFFAOYSA-N 2 0 314.433 2.646 20 0 DFADRP CCc1nc(CN2CCCC[C@@H]2[C@H]2C[C@@H]([NH3+])CCO2)cs1 ZINC000650723756 431666321 /nfs/dbraw/zinc/66/63/21/431666321.db2.gz SXCMOIWYHKVZPB-NWANDNLSSA-N 2 0 309.479 2.566 20 0 DFADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+][C@@H]1CCCc2c1ccc(=O)n2C ZINC000650724607 431668133 /nfs/dbraw/zinc/66/81/33/431668133.db2.gz JBZYSAGRRHWQPR-HLLBOEOZSA-N 2 0 317.477 2.663 20 0 DFADRP C[C@H](C[NH2+]Cc1ccc(O[C@@H]2CCOC2)cc1)C[NH+]1CCCC1 ZINC000657319200 431674063 /nfs/dbraw/zinc/67/40/63/431674063.db2.gz UZXFSNYSPJYGDO-VQIMIIECSA-N 2 0 318.461 2.676 20 0 DFADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCC1(C[NH3+])CC1 ZINC000650744374 431675449 /nfs/dbraw/zinc/67/54/49/431675449.db2.gz MQUWYSHFEIFFAF-AEFFLSMTSA-N 3 0 301.478 2.616 20 0 DFADRP c1cc([C@@H]2C[C@H]([NH2+][C@@H]3CCC[C@H]3[C@@H]3CCC[NH2+]3)CCO2)ccn1 ZINC000650752350 431680830 /nfs/dbraw/zinc/68/08/30/431680830.db2.gz PKLRRSRWVFOABV-SPOLIRPYSA-N 2 0 315.461 2.812 20 0 DFADRP C[C@H](COCC1CC1)[NH2+][C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000650760826 431681976 /nfs/dbraw/zinc/68/19/76/431681976.db2.gz NBXAFXZIWLUUNT-LSBZLQRGSA-N 2 0 316.445 2.647 20 0 DFADRP CN(C)[C@H](C[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1)c1c(F)cccc1F ZINC000647786406 431684117 /nfs/dbraw/zinc/68/41/17/431684117.db2.gz OJHPXRKHXJXWFA-SZOQZIPDSA-N 2 0 323.431 2.545 20 0 DFADRP Cc1nc2ccccc2n1CCC[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000647785617 431684326 /nfs/dbraw/zinc/68/43/26/431684326.db2.gz CGDDFIQVJSGCGT-GVDBMIGSSA-N 2 0 312.461 2.713 20 0 DFADRP C[C@@H](CCc1ccc2c(c1)OCO2)[NH2+]CCC1CC[NH2+]CC1 ZINC000650764302 431684497 /nfs/dbraw/zinc/68/44/97/431684497.db2.gz VLNOLHSQQHZZLN-AWEZNQCLSA-N 2 0 304.434 2.716 20 0 DFADRP CN(C)c1cc(C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)c2ccccc2n1 ZINC000647788264 431684645 /nfs/dbraw/zinc/68/46/45/431684645.db2.gz GPHMHPWCVVMSCO-BFYDXBDKSA-N 2 0 324.472 2.779 20 0 DFADRP Cc1c([C@H](C)[NH2+]CCC2CC[NH2+]CC2)nnn1-c1ccccc1 ZINC000650763481 431685041 /nfs/dbraw/zinc/68/50/41/431685041.db2.gz AYKVMLDFZVPIHR-AWEZNQCLSA-N 2 0 313.449 2.616 20 0 DFADRP Cc1ccc([C@H](C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)N(C)C)cc1 ZINC000647786319 431685014 /nfs/dbraw/zinc/68/50/14/431685014.db2.gz MTFSVELZJFVABY-MANSERQUSA-N 2 0 301.478 2.575 20 0 DFADRP Fc1cccc(N2CCC[C@H]([NH2+][C@@H]3CC[C@@H]4C[NH2+]C[C@H]4C3)C2)c1 ZINC000647786574 431685052 /nfs/dbraw/zinc/68/50/52/431685052.db2.gz SFUQBOSTGZKOBG-AHCXZYCDSA-N 2 0 317.452 2.772 20 0 DFADRP CC(C)(C)c1csc(CC[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)n1 ZINC000647786434 431685304 /nfs/dbraw/zinc/68/53/04/431685304.db2.gz PADVXBKRHMYAJZ-BFHYXJOUSA-N 2 0 307.507 2.961 20 0 DFADRP Fc1ccc2[nH]cc(CC[NH2+][C@@H]3CC[C@@H]4C[NH2+]C[C@@H]4C3)c2c1 ZINC000647785547 431685583 /nfs/dbraw/zinc/68/55/83/431685583.db2.gz AXEDDELJNJFJIZ-IVMMDQJWSA-N 2 0 301.409 2.827 20 0 DFADRP COc1cc(NC(C)=O)ccc1[C@@H](C)[NH2+]CCC1CC[NH2+]CC1 ZINC000650762976 431685661 /nfs/dbraw/zinc/68/56/61/431685661.db2.gz OIBOXARCLJXLLC-CYBMUJFWSA-N 2 0 319.449 2.694 20 0 DFADRP Cc1c[nH]c(C[NH2+]CC2CC[NH+](Cc3cccs3)CC2)n1 ZINC000657338914 431685757 /nfs/dbraw/zinc/68/57/57/431685757.db2.gz WSNMZBQRYBHXKG-UHFFFAOYSA-N 2 0 304.463 2.781 20 0 DFADRP CC(C)[C@@H](C[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1)N1CCC(C)CC1 ZINC000647788389 431686382 /nfs/dbraw/zinc/68/63/82/431686382.db2.gz INQIPBISMLXQNP-INDMIFKZSA-N 2 0 307.526 2.721 20 0 DFADRP CCCC(=O)Nc1ccc(C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000647790349 431686536 /nfs/dbraw/zinc/68/65/36/431686536.db2.gz WQTQJZCFMSCOHI-JFIYKMOQSA-N 2 0 315.461 2.903 20 0 DFADRP C[C@H]([NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)[C@H]1Oc2ccccc2[C@H]1C ZINC000647791550 431686883 /nfs/dbraw/zinc/68/68/83/431686883.db2.gz HCOAKVIPQYRYCO-YCGKMOQESA-N 2 0 300.446 2.917 20 0 DFADRP Brc1ccccc1CC[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000647788838 431687561 /nfs/dbraw/zinc/68/75/61/431687561.db2.gz SJJLSMCXGULWOR-QLFBSQMISA-N 2 0 323.278 2.969 20 0 DFADRP FC(F)COc1cccc(C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)c1 ZINC000647791502 431687810 /nfs/dbraw/zinc/68/78/10/431687810.db2.gz FWUXJCRVQUNQCD-RRFJBIMHSA-N 2 0 310.388 2.808 20 0 DFADRP CC(C)[C@H](C[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1)[NH+]1CCCCCC1 ZINC000647791295 431688249 /nfs/dbraw/zinc/68/82/49/431688249.db2.gz BOARSGWLIFVKOK-MKXGPGLRSA-N 3 0 307.526 2.865 20 0 DFADRP Cc1ccc(NC(=O)C[C@@H](C)[NH2+]CCC2CC[NH2+]CC2)c(C)c1 ZINC000650764491 431689176 /nfs/dbraw/zinc/68/91/76/431689176.db2.gz ZWSKHVGRCGDOGU-MRXNPFEDSA-N 2 0 317.477 3.000 20 0 DFADRP CCN(CC)[C@H](C[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1)c1ccco1 ZINC000647793361 431689278 /nfs/dbraw/zinc/68/92/78/431689278.db2.gz VHRSLBPPMXWEKE-YLFCFFPRSA-N 2 0 305.466 2.640 20 0 DFADRP CO[C@H](c1ccccc1F)[C@H](C)[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000647794310 431689339 /nfs/dbraw/zinc/68/93/39/431689339.db2.gz XPJRBBWXJDMEMJ-YPIIOCQESA-N 2 0 306.425 2.879 20 0 DFADRP CCc1nc(CC[NH2+]Cc2ccnn2-c2cc[nH+]cc2)cs1 ZINC000657343059 431689541 /nfs/dbraw/zinc/68/95/41/431689541.db2.gz VPGZRBLENYPKFQ-UHFFFAOYSA-N 2 0 313.430 2.619 20 0 DFADRP Fc1ccc(C2(C[NH2+][C@@H]3CC[C@H]4C[NH2+]C[C@@H]4C3)CC2)c(F)c1 ZINC000647794071 431689599 /nfs/dbraw/zinc/68/95/99/431689599.db2.gz QGEZPDAGYMAPPA-KCQAQPDRSA-N 2 0 306.400 2.974 20 0 DFADRP COc1ccc(OC)c(CCC[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000647794408 431690096 /nfs/dbraw/zinc/69/00/96/431690096.db2.gz ZQQQHTFKGQVUCQ-YESZJQIVSA-N 2 0 318.461 2.614 20 0 DFADRP Fc1ccccc1N1CCC[C@H]([NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)C1 ZINC000647793821 431690138 /nfs/dbraw/zinc/69/01/38/431690138.db2.gz JGLCVQQNGDNFMX-VQHPVUNQSA-N 2 0 317.452 2.772 20 0 DFADRP Fc1ccccc1N1CC[C@H](C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)C1 ZINC000647798810 431691608 /nfs/dbraw/zinc/69/16/08/431691608.db2.gz XQTGOYRMJVSKOK-YYIAUSFCSA-N 2 0 317.452 2.630 20 0 DFADRP Fc1cc(OCC[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)ccc1Cl ZINC000647798881 431691656 /nfs/dbraw/zinc/69/16/56/431691656.db2.gz YTCIHNFDMWSILA-JHJVBQTASA-N 2 0 312.816 2.836 20 0 DFADRP COCCCOc1ccc(C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC000647797120 431691753 /nfs/dbraw/zinc/69/17/53/431691753.db2.gz ZIWUSTHNYVFMKL-OKZBNKHCSA-N 2 0 318.461 2.580 20 0 DFADRP CC[C@@H]1CCC[C@@H]([NH2+]CCC[N@@H+]2CCC[C@H](C(N)=O)C2)CC1 ZINC000657350359 431692321 /nfs/dbraw/zinc/69/23/21/431692321.db2.gz VOGJJWALKSQXRW-IXDOHACOSA-N 2 0 309.498 2.522 20 0 DFADRP COCCc1nc(C)c([C@H](C)[NH2+]Cc2ccc(C[NH3+])cc2)s1 ZINC000647803157 431694263 /nfs/dbraw/zinc/69/42/63/431694263.db2.gz IDBLWYDVLQGPES-LBPRGKRZSA-N 2 0 319.474 2.950 20 0 DFADRP OC[C@@H]1CCC[N@@H+]1CCCC[NH2+]Cc1cc2ccncc2s1 ZINC000657355859 431695533 /nfs/dbraw/zinc/69/55/33/431695533.db2.gz BUUVQCQXNIKNQY-HNNXBMFYSA-N 2 0 319.474 2.623 20 0 DFADRP O=C(CC[N@H+](C1CC1)C1CC[NH2+]CC1)Nc1ccc(Cl)cc1 ZINC000647814798 431697202 /nfs/dbraw/zinc/69/72/02/431697202.db2.gz GQQPFYULELVTRY-UHFFFAOYSA-N 2 0 321.852 2.885 20 0 DFADRP Cc1ccc2ccnc(NCCN(C)CCC[NH+](C)C)c2c1 ZINC000664244849 431712457 /nfs/dbraw/zinc/71/24/57/431712457.db2.gz LMVBMKWLVSDUKA-UHFFFAOYSA-N 2 0 300.450 2.839 20 0 DFADRP C[NH+]1CCN(C(C)(C)C[NH2+]C2CCC(C3CCC3)CC2)CC1 ZINC000657304764 431662433 /nfs/dbraw/zinc/66/24/33/431662433.db2.gz QMMFDGRROFJTQL-UHFFFAOYSA-N 2 0 307.526 2.961 20 0 DFADRP C[NH2+]Cc1ccccc1C[NH2+]Cc1cc(OC)cc(OC)c1 ZINC000650718756 431662716 /nfs/dbraw/zinc/66/27/16/431662716.db2.gz WJWMMQDUCUWXMI-UHFFFAOYSA-N 2 0 300.402 2.713 20 0 DFADRP CC(C)(C[NH2+]Cc1ccnn1-c1cc[nH+]cc1)[C@@H]1CCCCO1 ZINC000657394569 431724089 /nfs/dbraw/zinc/72/40/89/431724089.db2.gz QVXTVDGBZUMWCQ-KRWDZBQOSA-N 2 0 314.433 2.952 20 0 DFADRP Cc1ccc2cc(C[NH2+]CC3(O)CC[NH+](C(C)C)CC3)[nH]c2c1 ZINC000657398348 431726331 /nfs/dbraw/zinc/72/63/31/431726331.db2.gz JRYQZPILXIWSGR-UHFFFAOYSA-N 2 0 315.461 2.801 20 0 DFADRP Cc1noc(C)c1[C@H](C)C[NH2+]Cc1ccnn1-c1cc[nH+]cc1 ZINC000657416048 431733621 /nfs/dbraw/zinc/73/36/21/431733621.db2.gz OSORAPABJOQNGM-GFCCVEGCSA-N 2 0 311.389 2.765 20 0 DFADRP Cc1ncc(C[NH2+]C2CCC([NH+]3CCC(C)CC3)CC2)n1C ZINC000657415820 431734304 /nfs/dbraw/zinc/73/43/04/431734304.db2.gz NULZRVOOCNNNBD-UHFFFAOYSA-N 2 0 304.482 2.861 20 0 DFADRP CC[C@@H]1C[N@H+](CCOc2ccc(Cl)c(F)c2)CC[C@@H]1[NH3+] ZINC000647934953 431737375 /nfs/dbraw/zinc/73/73/75/431737375.db2.gz VLMRTMDBRPJQAR-ABAIWWIYSA-N 2 0 300.805 2.917 20 0 DFADRP Cc1cccc(C)c1[C@@H]1CCC[N@H+]1C[C@H](O)CN(C)C1CC1 ZINC000661137520 431747181 /nfs/dbraw/zinc/74/71/81/431747181.db2.gz QEQDEKHEBJACFS-MSOLQXFVSA-N 2 0 302.462 2.895 20 0 DFADRP CC(C)[N@H+](C)C[C@@H](O)C[NH+](Cc1ccccc1)CC1CCC1 ZINC000647960839 431751168 /nfs/dbraw/zinc/75/11/68/431751168.db2.gz NCRGMQQHTWIVDT-LJQANCHMSA-N 2 0 304.478 2.990 20 0 DFADRP Fc1c(C[NH2+]C[C@H]2CCc3nccn3C2)cccc1OC1CC1 ZINC000657442860 431755810 /nfs/dbraw/zinc/75/58/10/431755810.db2.gz BGNJLSWZCWLZIO-CYBMUJFWSA-N 2 0 315.392 2.916 20 0 DFADRP CC(C)[N@H+](C)C[C@H](O)C[NH2+][C@H]1CCC[C@@H]1Cc1ccccc1 ZINC000647972001 431758698 /nfs/dbraw/zinc/75/86/98/431758698.db2.gz FSGPIPIQVLUBFW-QRVBRYPASA-N 2 0 304.478 2.689 20 0 DFADRP Cc1ccc(NC(=O)C[N@@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)cc1 ZINC000647975374 431761755 /nfs/dbraw/zinc/76/17/55/431761755.db2.gz YRNTUJQZEZVTPP-SJORKVTESA-N 2 0 315.461 2.645 20 0 DFADRP COc1ccccc1OCC[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647977882 431761860 /nfs/dbraw/zinc/76/18/60/431761860.db2.gz JKHAOGHACCWSSG-IRXDYDNUSA-N 2 0 318.461 2.786 20 0 DFADRP COc1ccc(OCC[N@@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)cc1 ZINC000647976334 431762203 /nfs/dbraw/zinc/76/22/03/431762203.db2.gz NGNGIPLWKIOWAZ-IAGOWNOFSA-N 2 0 318.461 2.786 20 0 DFADRP O=C(CC[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1)Nc1ccccc1 ZINC000647976768 431762331 /nfs/dbraw/zinc/76/23/31/431762331.db2.gz TZMZOARAASKXLD-IAGOWNOFSA-N 2 0 315.461 2.727 20 0 DFADRP Fc1ccc(OCC[N@@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)cc1 ZINC000647977101 431762733 /nfs/dbraw/zinc/76/27/33/431762733.db2.gz XVDVSIRFKHEDRX-HOTGVXAUSA-N 2 0 306.425 2.916 20 0 DFADRP C[C@H](c1nc(C2CC2)no1)[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647975503 431762797 /nfs/dbraw/zinc/76/27/97/431762797.db2.gz BEEIFODCEWNYPY-SNPRPXQTSA-N 2 0 304.438 2.720 20 0 DFADRP COc1ccccc1OCC[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647977881 431763214 /nfs/dbraw/zinc/76/32/14/431763214.db2.gz JKHAOGHACCWSSG-IAGOWNOFSA-N 2 0 318.461 2.786 20 0 DFADRP FC(F)(F)CO[C@H]1CCC[N@H+](CCCC2CC[NH2+]CC2)C1 ZINC000647879808 431717282 /nfs/dbraw/zinc/71/72/82/431717282.db2.gz ATDFQSSLHHYPDB-AWEZNQCLSA-N 2 0 308.388 2.810 20 0 DFADRP c1ccc(-c2noc(C3CC[NH+](C[C@H]4CC[NH2+]C4)CC3)n2)cc1 ZINC000647884481 431717680 /nfs/dbraw/zinc/71/76/80/431717680.db2.gz VAGKZGJBEZFSKN-AWEZNQCLSA-N 2 0 312.417 2.526 20 0 DFADRP [NH3+]CCOCC[N@@H+]1CCC[C@@H]1c1ccccc1Br ZINC000647890704 431718414 /nfs/dbraw/zinc/71/84/14/431718414.db2.gz HTCVERYORJDLRX-CQSZACIVSA-N 2 0 313.239 2.561 20 0 DFADRP CC(C)[C@H]1OCCC[C@@H]1C[NH2+]Cc1ccnn1-c1cc[nH+]cc1 ZINC000657389323 431720222 /nfs/dbraw/zinc/72/02/22/431720222.db2.gz KEGJUINVVTWMOY-CRAIPNDOSA-N 2 0 314.433 2.808 20 0 DFADRP c1ccc(OCCOCC[N@@H+]2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)cc1 ZINC000647901491 431722630 /nfs/dbraw/zinc/72/26/30/431722630.db2.gz PTBLMONZFCHGPW-HKUYNNGSSA-N 2 0 318.461 2.546 20 0 DFADRP COc1cccc2c1CC[C@@H]2[NH2+]C1CC[NH+](CC(C)(C)O)CC1 ZINC000647909366 431723108 /nfs/dbraw/zinc/72/31/08/431723108.db2.gz IDYVZTUEXMATCM-KRWDZBQOSA-N 2 0 318.461 2.507 20 0 DFADRP c1ccc(OCCOCC[N@@H+]2CCC[C@H]([C@H]3CCC[NH2+]3)C2)cc1 ZINC000647901494 431723430 /nfs/dbraw/zinc/72/34/30/431723430.db2.gz PTBLMONZFCHGPW-PKOBYXMFSA-N 2 0 318.461 2.546 20 0 DFADRP C[C@@H](C[NH2+]Cc1ccc(OCC[NH+](C)C)cc1)c1ccccn1 ZINC000657534866 431799297 /nfs/dbraw/zinc/79/92/97/431799297.db2.gz ZQFLSJDAQNHBRZ-INIZCTEOSA-N 2 0 313.445 2.915 20 0 DFADRP C/C(=C\c1ccccc1)C[NH2+][C@@H](C)CN(C)CCC[NH+](C)C ZINC000657573369 431814310 /nfs/dbraw/zinc/81/43/10/431814310.db2.gz KLLBIYCANSYVQC-UMADGWCESA-N 2 0 303.494 2.952 20 0 DFADRP C[C@@H](CN(C)CCC[NH+](C)C)[NH2+]Cc1cnc(C2CCC2)s1 ZINC000657574283 431814609 /nfs/dbraw/zinc/81/46/09/431814609.db2.gz VJDVIIYPQGBHGN-AWEZNQCLSA-N 2 0 324.538 2.772 20 0 DFADRP CSc1ccc(C[NH2+][C@@H](C)CN(C)CCC[NH+](C)C)cc1 ZINC000657573925 431815341 /nfs/dbraw/zinc/81/53/41/431815341.db2.gz PVBVBHZFGGSMHR-HNNXBMFYSA-N 2 0 309.523 2.770 20 0 DFADRP Cc1cccc2[nH]c(C[NH2+][C@@H](C)CN(C)CCC[NH+](C)C)cc21 ZINC000657573050 431815882 /nfs/dbraw/zinc/81/58/82/431815882.db2.gz IGUJKPWNXXMDEC-INIZCTEOSA-N 2 0 316.493 2.838 20 0 DFADRP CC(C)[C@@H]([NH2+]Cc1ccnn1-c1cc[nH+]cc1)[C@@H](CO)C(C)C ZINC000657482110 431776441 /nfs/dbraw/zinc/77/64/41/431776441.db2.gz QJNATMXGIUTEER-ZWKOTPCHSA-N 2 0 316.449 2.646 20 0 DFADRP CC(C)(C[NH2+]Cc1ccnn1-c1cc[nH+]cc1)C1(O)CCCC1 ZINC000657483979 431780610 /nfs/dbraw/zinc/78/06/10/431780610.db2.gz HQXZMTBZCBSPSF-UHFFFAOYSA-N 2 0 314.433 2.688 20 0 DFADRP C[C@@H]1CC[C@@H]([NH2+]Cc2ccc(C[N@@H+]3CC[C@H](O)C3)cc2)CS1 ZINC000657598015 431821673 /nfs/dbraw/zinc/82/16/73/431821673.db2.gz WYSAXGJHFAYVSS-OLMNPRSZSA-N 2 0 320.502 2.627 20 0 DFADRP COC1(C[NH2+]CC2CC[NH+](Cc3ccncc3)CC2)CCCC1 ZINC000657612945 431824736 /nfs/dbraw/zinc/82/47/36/431824736.db2.gz GKPIRAPHDMWJFF-UHFFFAOYSA-N 2 0 317.477 2.842 20 0 DFADRP Cc1ccc(C[NH2+]CC2CC[NH+](Cc3ccncc3)CC2)nc1 ZINC000657613889 431825418 /nfs/dbraw/zinc/82/54/18/431825418.db2.gz VZSCIWCBQQQOTJ-UHFFFAOYSA-N 2 0 310.445 2.787 20 0 DFADRP Cc1ccc2c(C[N@H+]3CC[C@@H](C)[C@@H](C[NH3+])C3)cc(=O)oc2c1 ZINC000261987386 281045879 /nfs/dbraw/zinc/04/58/79/281045879.db2.gz BAJDACCXUXGBST-HIFRSBDPSA-N 2 0 300.402 2.518 20 0 DFADRP Cc1ccc2c(c1)[C@H]([NH2+][C@H]1CCN(C3CC[NH+](C)CC3)C1)CC2 ZINC000370634076 281125757 /nfs/dbraw/zinc/12/57/57/281125757.db2.gz JRNBGWOSVKQNFU-FXAWDEMLSA-N 2 0 313.489 2.740 20 0 DFADRP Cc1cccc2c1[C@H](C)C[C@H]2[NH2+][C@H](C)CN1CC[NH+](C)CC1 ZINC000245510170 281305543 /nfs/dbraw/zinc/30/55/43/281305543.db2.gz VWXKXRYOVKFROU-JFIYKMOQSA-N 2 0 301.478 2.769 20 0 DFADRP CC[C@]1(C(=O)NC[C@@H](c2cccs2)[NH+]2CCCC2)CCC[NH2+]1 ZINC000134554035 288427561 /nfs/dbraw/zinc/42/75/61/288427561.db2.gz NTAXGCWTAUBIPH-WMLDXEAASA-N 2 0 321.490 2.533 20 0 DFADRP C[NH+](C)C1CCN(CC[NH2+][C@@H]2CCCNc3ccccc32)CC1 ZINC000192931162 289068978 /nfs/dbraw/zinc/06/89/78/289068978.db2.gz IAJIXWXIYHFPFE-LJQANCHMSA-N 2 0 316.493 2.549 20 0 DFADRP C[NH+](C)CC1(C(=O)NCCCCC[NH+]2CCCC2)CCCCC1 ZINC000357120159 289082916 /nfs/dbraw/zinc/08/29/16/289082916.db2.gz KWYIQKVDJVHONV-UHFFFAOYSA-N 2 0 323.525 2.881 20 0 DFADRP O=c1[nH]c2ccccc2cc1C[N@@H+]1C[C@@H]2C[NH+]3CCCC[C@H]3[C@@H]2C1 ZINC000363414290 289091940 /nfs/dbraw/zinc/09/19/40/289091940.db2.gz LVQWCZJZHASAEM-LMMKCTJWSA-N 2 0 323.440 2.857 20 0 DFADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)[C@H]1CCCC1(C)C ZINC000355279042 289114194 /nfs/dbraw/zinc/11/41/94/289114194.db2.gz LJVMANFRDNFBRK-MRXNPFEDSA-N 2 0 311.514 2.545 20 0 DFADRP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@@H+]2CCSC(C)(C)C ZINC000370172466 289333716 /nfs/dbraw/zinc/33/37/16/289333716.db2.gz KXJBGRZZISFUGP-ILXRZTDVSA-N 2 0 300.512 2.702 20 0 DFADRP C[C@H]1CCCC[N@@H+]1CCC1CC[NH+](CC(=O)NC(C)(C)C)CC1 ZINC000158945745 290384660 /nfs/dbraw/zinc/38/46/60/290384660.db2.gz SQFUWNIQWKOALR-INIZCTEOSA-N 2 0 323.525 2.878 20 0 DFADRP CCOC(C)(C)C[NH2+]Cc1ccccc1N1CC[NH+](CC)CC1 ZINC000436410481 297002003 /nfs/dbraw/zinc/00/20/03/297002003.db2.gz JDTDPUALCQVIEB-UHFFFAOYSA-N 2 0 319.493 2.733 20 0 DFADRP CC[NH+]1CCC([NH2+]C[C@@]2(O)CCC[C@H](C(F)(F)F)C2)CC1 ZINC000437111068 297054493 /nfs/dbraw/zinc/05/44/93/297054493.db2.gz ONRCISKXADGYRG-GXTWGEPZSA-N 2 0 308.388 2.544 20 0 DFADRP O=C(NC[C@@H]1CCC[N@@H+]1C1CCCCC1)[C@H]1CCC[NH+]1C1CC1 ZINC000437862590 297072548 /nfs/dbraw/zinc/07/25/48/297072548.db2.gz YBQIOQLTOYAEEQ-ZWKOTPCHSA-N 2 0 319.493 2.527 20 0 DFADRP CC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H]1CCC[NH+]1C1CCCCC1 ZINC000437855604 297072620 /nfs/dbraw/zinc/07/26/20/297072620.db2.gz YORKRMSGBTVQJI-QZTJIDSGSA-N 2 0 321.509 2.774 20 0 DFADRP COc1ccc([C@@H](C)C[NH2+]CCC[N@@H+]2CCCO[C@@H](C)C2)cc1 ZINC000278066638 295205253 /nfs/dbraw/zinc/20/52/53/295205253.db2.gz ZCHQKDJLQQXJEG-IRXDYDNUSA-N 2 0 320.477 2.889 20 0 DFADRP [NH3+]CCCCCCC(=O)N1CC[NH2+]C[C@@H]1c1cccc(Cl)c1 ZINC000261969453 295227967 /nfs/dbraw/zinc/22/79/67/295227967.db2.gz LKPGVETXUMWNTA-MRXNPFEDSA-N 2 0 323.868 2.722 20 0 DFADRP Cc1ccc(C)c([C@H](C)[NH2+]CCCC[NH+]2CCN(C)CC2)c1 ZINC000154362457 295298630 /nfs/dbraw/zinc/29/86/30/295298630.db2.gz YZOZBWRIQXLHTB-SFHVURJKSA-N 2 0 303.494 2.982 20 0 DFADRP CN1CC[NH+](CCCC[NH2+][C@@H]2CCCOc3ccccc32)CC1 ZINC000154403525 295299482 /nfs/dbraw/zinc/29/94/82/295299482.db2.gz SNSDWNZIPCNZEG-GOSISDBHSA-N 2 0 317.477 2.518 20 0 DFADRP CCc1ccc([C@@H](C)[NH2+]CCCC[NH+]2CCN(C)CC2)s1 ZINC000154437221 295300406 /nfs/dbraw/zinc/30/04/06/295300406.db2.gz XFYWYQGHDWUTHY-OAHLLOKOSA-N 2 0 309.523 2.989 20 0 DFADRP CC(C)=CCC[C@@H](C)[NH2+]CCCN1CCC[C@@H]1C(=O)N(C)C ZINC000155302874 295316449 /nfs/dbraw/zinc/31/64/49/295316449.db2.gz NQXSTUHVGCXLFX-IAGOWNOFSA-N 2 0 309.498 2.654 20 0 DFADRP CCc1ccc([C@H](C)[NH2+]C[C@H](C)N2CC[NH+](CC)CC2)cc1 ZINC000155582012 295321267 /nfs/dbraw/zinc/32/12/67/295321267.db2.gz VIFHUWSBKHQAIG-IRXDYDNUSA-N 2 0 303.494 2.926 20 0 DFADRP CC[NH+]1CCN([C@@H](C)C[NH2+][C@H](C)c2ccc(C)cc2C)CC1 ZINC000155691274 295323562 /nfs/dbraw/zinc/32/35/62/295323562.db2.gz LSIMVXHKBHTJAZ-ZWKOTPCHSA-N 2 0 303.494 2.980 20 0 DFADRP C[C@@H]1C[C@H](C)C[NH+](CC2(C[N@H+]3C[C@H](C)C[C@H](C)C3)COC2)C1 ZINC000157329984 295347187 /nfs/dbraw/zinc/34/71/87/295347187.db2.gz PFQFHBYITXJHGN-USTZCAOPSA-N 2 0 308.510 2.959 20 0 DFADRP CC[NH+]1CCC(NC(=O)C[N@@H+]2CCCC[C@H]2CCC(C)C)CC1 ZINC000158116501 295358956 /nfs/dbraw/zinc/35/89/56/295358956.db2.gz WJZCNBHFJDLARX-SFHVURJKSA-N 2 0 323.525 2.878 20 0 DFADRP CC[NH+]1CCC(NC(=O)C[N@@H+]2CCCC[C@@H]2CCC(C)C)CC1 ZINC000158116329 295358961 /nfs/dbraw/zinc/35/89/61/295358961.db2.gz WJZCNBHFJDLARX-GOSISDBHSA-N 2 0 323.525 2.878 20 0 DFADRP CCC[C@@H]([NH2+]CCCC[NH+]1CCN(C)CC1)c1ccccn1 ZINC000158625956 295365222 /nfs/dbraw/zinc/36/52/22/295365222.db2.gz OSLWDFOJYIXHBU-QGZVFWFLSA-N 2 0 304.482 2.540 20 0 DFADRP C[C@@H]1Cc2ccccc2[C@H]1[NH2+][C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000363779706 295443530 /nfs/dbraw/zinc/44/35/30/295443530.db2.gz AYINQAGQQBVCJL-SYNHAJSKSA-N 2 0 313.489 2.678 20 0 DFADRP CC[NH+]1CCC(NC(=O)C[NH2+][C@H](C)c2ccc(C)cc2C)CC1 ZINC000411454896 295540652 /nfs/dbraw/zinc/54/06/52/295540652.db2.gz ZNUHQOHJMYFHHO-MRXNPFEDSA-N 2 0 317.477 2.555 20 0 DFADRP CC[NH+]1CCC(NC(=O)C[NH2+][C@H]2CCC[C@@H]2CCC(C)C)CC1 ZINC000411607767 295548417 /nfs/dbraw/zinc/54/84/17/295548417.db2.gz KERZYBBYOCNQPA-AEFFLSMTSA-N 2 0 323.525 2.781 20 0 DFADRP CC(C)[NH+]1CCC(NC(=O)C[NH2+][C@]2(C)CCCC[C@H]2C)CC1 ZINC000411813299 295560623 /nfs/dbraw/zinc/56/06/23/295560623.db2.gz DSCYLZZSDQMTSW-CRAIPNDOSA-N 2 0 309.498 2.534 20 0 DFADRP COC1([C@@H](C)[NH2+]C/C=C\C[NH2+][C@@H](C)C2(OC)CCC2)CCC1 ZINC000412025105 295578130 /nfs/dbraw/zinc/57/81/30/295578130.db2.gz PAWJYPFJCFJHCJ-HNXFAEETSA-N 2 0 310.482 2.637 20 0 DFADRP C[C@@H](CNC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1)C[NH+]1CCCCC1 ZINC000438568778 297098825 /nfs/dbraw/zinc/09/88/25/297098825.db2.gz QQOGSRDWWUAFDA-WMZOPIPTSA-N 2 0 321.509 2.632 20 0 DFADRP CC(C)(CNC(=O)[C@H]1CCC[N@@H+]1C1CCCC1)[NH+]1CCCCC1 ZINC000438578605 297099764 /nfs/dbraw/zinc/09/97/64/297099764.db2.gz YBYUWIFYULPPEA-QGZVFWFLSA-N 2 0 321.509 2.774 20 0 DFADRP COc1cc(NC(C)=O)ccc1[C@@H](C)[NH2+]CCCC[NH+](C)C ZINC000439083528 297114519 /nfs/dbraw/zinc/11/45/19/297114519.db2.gz HBFVBHJRYGXOPQ-CYBMUJFWSA-N 2 0 307.438 2.646 20 0 DFADRP C[C@@H](C(=O)N(C)CC[C@H]1CCCC[NH+]1C)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000440255204 297148938 /nfs/dbraw/zinc/14/89/38/297148938.db2.gz MVLWNKCSHKPPLH-VVLHAWIVSA-N 2 0 309.498 2.581 20 0 DFADRP CC[NH+]1CCN(C[C@H](C)C[NH2+]C2CCC(C(F)F)CC2)CC1 ZINC000442794270 297206522 /nfs/dbraw/zinc/20/65/22/297206522.db2.gz PXMGQRQZRHNAED-QQFBHYJXSA-N 2 0 317.468 2.674 20 0 DFADRP CCOc1ccccc1[C@@H](C)[NH2+]CCN1CC[N@H+](C)C(C)(C)C1 ZINC000442888134 297210094 /nfs/dbraw/zinc/21/00/94/297210094.db2.gz FBGQJHIKMPEWIZ-MRXNPFEDSA-N 2 0 319.493 2.762 20 0 DFADRP CC(C)n1ncc2cc(C[N@@H+]3CCC[C@H](CC[NH3+])C3)cnc21 ZINC000442920137 297211259 /nfs/dbraw/zinc/21/12/59/297211259.db2.gz GLVRAVFPTZWLJL-CQSZACIVSA-N 2 0 301.438 2.573 20 0 DFADRP CCC[C@H](NC(=O)C[N@@H+]1CCC[C@H](CC[NH3+])C1)c1ccccc1 ZINC000443060871 297214490 /nfs/dbraw/zinc/21/44/90/297214490.db2.gz PXYMRJRIKGUTJA-AEFFLSMTSA-N 2 0 317.477 2.705 20 0 DFADRP CCOC(=O)[C@H](CC)[NH+]1CCC(CCC[NH+]2CCCC2)CC1 ZINC000443600266 297222079 /nfs/dbraw/zinc/22/20/79/297222079.db2.gz LSRONCCVOQXACJ-KRWDZBQOSA-N 2 0 310.482 2.916 20 0 DFADRP CC1=CCC[C@@H](C)[C@@H]1C[NH2+][C@@H](CC(C)C)C(=O)NCC[NH+](C)C ZINC000443640677 297223729 /nfs/dbraw/zinc/22/37/29/297223729.db2.gz NVARDICWMHIMRZ-KURKYZTESA-N 2 0 323.525 2.661 20 0 DFADRP CC[C@H]1CCCC[C@@H]1[N@H+](C)CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000444659199 297243608 /nfs/dbraw/zinc/24/36/08/297243608.db2.gz CNLTWHRKPNTWPT-YJBOKZPZSA-N 2 0 321.509 2.630 20 0 DFADRP C[NH+](C)Cc1ccc(-c2noc(C3([NH3+])CCCCC3)n2)cc1 ZINC000446852868 297288858 /nfs/dbraw/zinc/28/88/58/297288858.db2.gz MJDIJJCZENZAGB-UHFFFAOYSA-N 2 0 300.406 2.916 20 0 DFADRP CCOC(=O)C1CCC([NH2+]CC2CC[NH+](C3CC3)CC2)CC1 ZINC000446884525 297289118 /nfs/dbraw/zinc/28/91/18/297289118.db2.gz PVWILJVPMUOVIS-UHFFFAOYSA-N 2 0 308.466 2.572 20 0 DFADRP c1nc([C@@H]2CCCO2)sc1C[NH2+]CC1CC[NH+](C2CC2)CC1 ZINC000446885727 297289692 /nfs/dbraw/zinc/28/96/92/297289692.db2.gz YIAARVFEVLGENS-INIZCTEOSA-N 2 0 321.490 2.959 20 0 DFADRP CC[C@@H]([NH2+]CC1CC[NH+](C2CC2)CC1)C1(C(=O)OC)CCC1 ZINC000447563376 297308603 /nfs/dbraw/zinc/30/86/03/297308603.db2.gz FGRHAONBCJQJBG-MRXNPFEDSA-N 2 0 308.466 2.572 20 0 DFADRP C[C@@H]([NH2+]CCOCC[NH+](C)C)c1ccc(-c2ccncc2)cc1 ZINC000447597033 297309884 /nfs/dbraw/zinc/30/98/84/297309884.db2.gz DCPKJIUNLAZBAF-MRXNPFEDSA-N 2 0 313.445 2.977 20 0 DFADRP CC[NH+](CC)CCO[C@H]1CC[N@H+](Cc2ccc(C)c(OC)c2)C1 ZINC000447727919 297314847 /nfs/dbraw/zinc/31/48/47/297314847.db2.gz CULXKNXDQYOUKU-SFHVURJKSA-N 2 0 320.477 2.936 20 0 DFADRP c1cc(C[N@@H+]2CC[C@H](Oc3ccncc3)C2)n(-c2ccccc2)n1 ZINC000448342771 297337580 /nfs/dbraw/zinc/33/75/80/297337580.db2.gz GXLZATURJPTDDX-IBGZPJMESA-N 2 0 320.396 2.921 20 0 DFADRP COC(=O)C1(C[N@@H+]2CCC[C@H](C[NH+]3CCCC[C@H]3C)C2)CC1 ZINC000448524336 297341166 /nfs/dbraw/zinc/34/11/66/297341166.db2.gz HBLYNDAJHYVRQE-CVEARBPZSA-N 2 0 308.466 2.526 20 0 DFADRP Cc1cc(C[N@@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@H](C)C2)cs1 ZINC000449036593 297395294 /nfs/dbraw/zinc/39/52/94/297395294.db2.gz KOLJRMBETLQFMY-PBHICJAKSA-N 2 0 307.507 2.514 20 0 DFADRP CC(C)CN1CCO[C@@H](C[NH2+]Cc2cccc3ccoc32)C1 ZINC000449062582 297399050 /nfs/dbraw/zinc/39/90/50/297399050.db2.gz YSLOAFVZYHWUIV-KRWDZBQOSA-N 2 0 302.418 2.879 20 0 DFADRP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+]C[C@@](C)(O)C2CC2)CC1 ZINC000449149566 297413861 /nfs/dbraw/zinc/41/38/61/297413861.db2.gz XFWNPEMGRHRQHW-OXQOHEQNSA-N 2 0 316.489 2.833 20 0 DFADRP CCOC[C@@H](O)C[NH2+]C1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC000449162191 297416108 /nfs/dbraw/zinc/41/61/08/297416108.db2.gz IFWPRBGYWQUWDC-INIZCTEOSA-N 2 0 314.514 2.653 20 0 DFADRP C[C@H](Cc1ccccc1)[NH+]1CCC(N[C@@H](C)C[NH+](C)C)CC1 ZINC000449322885 297445378 /nfs/dbraw/zinc/44/53/78/297445378.db2.gz ZPSLJTCTAIENKB-DLBZAZTESA-N 2 0 303.494 2.622 20 0 DFADRP CC[NH+]1CCN(CC(C)(C)[NH2+]Cc2cccc(C)c2F)CC1 ZINC000449747887 297526272 /nfs/dbraw/zinc/52/62/72/297526272.db2.gz YQQWSQYRCQOXEJ-UHFFFAOYSA-N 2 0 307.457 2.640 20 0 DFADRP COC1([C@H](C)[NH2+]CCCC[N@@H+]2CCCC[C@@H]2C)CCOCC1 ZINC000453053982 298057433 /nfs/dbraw/zinc/05/74/33/298057433.db2.gz BFOVALDXQRZIIH-IRXDYDNUSA-N 2 0 312.498 2.815 20 0 DFADRP CCC[C@@H]([NH2+]Cc1ccc(N2CC[NH+](C)CC2)nc1)C1CCC1 ZINC000453082057 298060215 /nfs/dbraw/zinc/06/02/15/298060215.db2.gz MUEMLRHFTGRHHQ-GOSISDBHSA-N 2 0 316.493 2.892 20 0 DFADRP COC1([C@H](C)[NH2+]C2CC[NH+](C3CCCCC3)CC2)CCOCC1 ZINC000453120930 298064609 /nfs/dbraw/zinc/06/46/09/298064609.db2.gz CWQZNMSGUKNYOY-INIZCTEOSA-N 2 0 324.509 2.957 20 0 DFADRP OC1(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]3CCC[C@H]32)CCC1 ZINC000453122623 298064906 /nfs/dbraw/zinc/06/49/06/298064906.db2.gz YDLWWNQWWZYIAR-IPMKNSEASA-N 2 0 314.473 2.934 20 0 DFADRP COC1([C@H](C)[NH2+]Cc2ccc(F)c(C[NH+](C)C)c2)CCOCC1 ZINC000453133562 298065680 /nfs/dbraw/zinc/06/56/80/298065680.db2.gz WYCQAJHHKGLZEI-AWEZNQCLSA-N 2 0 324.440 2.561 20 0 DFADRP c1ccc(C[N@H+]2CC[C@H]([NH2+]CCN3CCC3)[C@H]3CCC[C@H]32)cc1 ZINC000453174779 298068642 /nfs/dbraw/zinc/06/86/42/298068642.db2.gz PAGMJJVZKLPERZ-HSALFYBXSA-N 2 0 313.489 2.725 20 0 DFADRP C[C@H](Cc1cnccn1)[NH2+][C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000453198196 298070629 /nfs/dbraw/zinc/07/06/29/298070629.db2.gz OUTRZNVOWXXHAO-OWCLPIDISA-N 2 0 302.466 2.650 20 0 DFADRP c1n[nH]cc1CC[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@H]2CCC[C@H]21 ZINC000453251848 298075230 /nfs/dbraw/zinc/07/52/30/298075230.db2.gz MCGUPHWLPKBFGT-UFYCRDLUSA-N 2 0 324.472 2.985 20 0 DFADRP CC(C)(C)CC(C)(C)[NH+]1CCC([NH2+]C[C@@]2(C)CCC(=O)N2)CC1 ZINC000453448182 298096871 /nfs/dbraw/zinc/09/68/71/298096871.db2.gz ZFKLHFSWKNYTDV-LJQANCHMSA-N 2 0 323.525 2.924 20 0 DFADRP Cc1ccc(C[C@H](CO)[NH2+][C@@H]2C[C@@H](C)[N@@H+](C)C[C@H]2C)cc1C ZINC000453469196 298097701 /nfs/dbraw/zinc/09/77/01/298097701.db2.gz ZXSZLKQVMMIHAN-PSBWJHGTSA-N 2 0 304.478 2.525 20 0 DFADRP O[C@H]1CCC[C@@H]1C[NH2+][C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000453625925 298106878 /nfs/dbraw/zinc/10/68/78/298106878.db2.gz FPXBIJQOPIUBCJ-CXQPBAHBSA-N 2 0 314.473 2.648 20 0 DFADRP Cc1cc(C)c(CNC(=O)NCC[N@H+]2[C@H](C)CCC[C@@H]2C)cn1 ZINC000454478470 298181560 /nfs/dbraw/zinc/18/15/60/298181560.db2.gz KKULMJODDVWNTD-IYBDPMFKSA-N 2 0 318.465 2.761 20 0 DFADRP CC(C)(C)[NH+]1CCC(NC(=O)C2C[NH+](C3CCCCC3)C2)CC1 ZINC000457472322 298733716 /nfs/dbraw/zinc/73/37/16/298733716.db2.gz HGSOMEQQALIESA-UHFFFAOYSA-N 2 0 321.509 2.630 20 0 DFADRP CC[C@@H](NC[C@@H]1CCC[NH2+]1)[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000496282756 300040567 /nfs/dbraw/zinc/04/05/67/300040567.db2.gz KJIDCCXPXJIZOW-RRFJBIMHSA-N 2 0 311.470 2.506 20 0 DFADRP CCC[NH+]1CCC(C[NH2+]CCCNC(=O)OC(C)(C)C)CC1 ZINC000496571716 300081790 /nfs/dbraw/zinc/08/17/90/300081790.db2.gz NRPJKYUGSYECKN-UHFFFAOYSA-N 2 0 313.486 2.613 20 0 DFADRP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)c1cccc(N2CCOC2=O)c1 ZINC000496635557 300090869 /nfs/dbraw/zinc/09/08/69/300090869.db2.gz FAYFQECDHGXKDY-SLHHOWHOSA-N 2 0 315.417 2.577 20 0 DFADRP CC(C)COC(=O)N1CCC([NH2+][C@H](C)CN(C)C(C)C)CC1 ZINC000496743008 300107223 /nfs/dbraw/zinc/10/72/23/300107223.db2.gz UEDJHZNOEZLEKU-OAHLLOKOSA-N 2 0 313.486 2.562 20 0 DFADRP COC(=O)N1CCC([C@H](C)[NH2+][C@@H]2C[C@H]([NH3+])c3ccccc32)CC1 ZINC000496745281 300107454 /nfs/dbraw/zinc/10/74/54/300107454.db2.gz KXJQNIFJBXKZMN-AFAVFJNCSA-N 2 0 317.433 2.588 20 0 DFADRP COC(=O)N1CCC([NH2+]C[C@H]2CCC[N@@H+]2C2CCCCC2)CC1 ZINC000496955019 300137826 /nfs/dbraw/zinc/13/78/26/300137826.db2.gz KPKZHDWNASFFBA-QGZVFWFLSA-N 2 0 323.481 2.604 20 0 DFADRP COC(=O)Nc1ccc(CC[NH2+][C@H]2CCCC[C@@H]2C[NH3+])cc1 ZINC000497106866 300162298 /nfs/dbraw/zinc/16/22/98/300162298.db2.gz MBWZURQKKKTZLL-ZBFHGGJFSA-N 2 0 305.422 2.515 20 0 DFADRP COC(=O)[C@@H]1C[C@@H](C2CCCCC2)CN1CC[C@@H]1CCC[N@@H+]1C ZINC000502903419 300218452 /nfs/dbraw/zinc/21/84/52/300218452.db2.gz DEIXDRGWTAFPAC-SQNIBIBYSA-N 2 0 322.493 2.915 20 0 DFADRP COC(=O)[C@@H]1C[C@H](C2CCCCC2)CN1CC[C@@H]1CCC[N@@H+]1C ZINC000502903416 300218860 /nfs/dbraw/zinc/21/88/60/300218860.db2.gz DEIXDRGWTAFPAC-BZSNNMDCSA-N 2 0 322.493 2.915 20 0 DFADRP CCn1nccc1CC[NH2+][C@@H]1CCCC[C@@H]1C[NH+](CC)CC ZINC000503220774 300219584 /nfs/dbraw/zinc/21/95/84/300219584.db2.gz IPSYPVFFQPMLEB-SJLPKXTDSA-N 2 0 306.498 2.936 20 0 DFADRP CCn1nccc1CC[NH2+][C@H]1CCCC[C@@H]1C[NH+](CC)CC ZINC000503220772 300219967 /nfs/dbraw/zinc/21/99/67/300219967.db2.gz IPSYPVFFQPMLEB-AEFFLSMTSA-N 2 0 306.498 2.936 20 0 DFADRP C[C@H]([NH2+]C[C@H]1CC[N@H+](CCc2ccccc2)C1)[C@H]1CCCOC1 ZINC000507489790 300236369 /nfs/dbraw/zinc/23/63/69/300236369.db2.gz YFQSDNRHMQFEPK-SXLOBPIMSA-N 2 0 316.489 2.956 20 0 DFADRP CCC[C@@H](C(=O)N1CCC[N@H+](CC2CCCCC2)CC1)[NH+](C)C ZINC000509921080 300243605 /nfs/dbraw/zinc/24/36/05/300243605.db2.gz WUEFIAKGLKZQHB-SFHVURJKSA-N 2 0 323.525 2.831 20 0 DFADRP CN1CC[C@H]([NH2+][C@@H]2CCC[C@@H]([NH3+])C2)[C@H]1c1ccc(F)c(F)c1 ZINC000514614769 300262672 /nfs/dbraw/zinc/26/26/72/300262672.db2.gz JULHCAFRHFQNAS-UTJXIGIESA-N 2 0 309.404 2.570 20 0 DFADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+]Cc1cnc(-c2ccccn2)s1 ZINC000514922336 300279217 /nfs/dbraw/zinc/27/92/17/300279217.db2.gz IGCSHYXIMODVFW-ZAQWFSBCSA-N 2 0 314.458 2.811 20 0 DFADRP CC[NH+](CC)Cc1cccc(CNC(=O)[C@@H]2CCCCC[NH2+]2)c1 ZINC000514938927 300280731 /nfs/dbraw/zinc/28/07/31/300280731.db2.gz JMAWRYUKZNHRPK-SFHVURJKSA-N 2 0 317.477 2.677 20 0 DFADRP C[C@H](CC[NH2+]C[C@H](O)Cc1ccc(F)cc1)[NH+]1CCCCC1 ZINC000515054989 300287399 /nfs/dbraw/zinc/28/73/99/300287399.db2.gz DXCRPDNQMRMWTQ-CRAIPNDOSA-N 2 0 308.441 2.583 20 0 DFADRP O=C(Nc1cccc(C[NH2+][C@H]2CCC[NH2+]CC2)c1)c1ccncc1 ZINC000515139702 300292499 /nfs/dbraw/zinc/29/24/99/300292499.db2.gz VQEDRECYQIALGU-KRWDZBQOSA-N 2 0 324.428 2.566 20 0 DFADRP C[C@@H]1COCCN1C1CC[NH+](C[C@@H]2CCCCC2(F)F)CC1 ZINC000515354951 300302041 /nfs/dbraw/zinc/30/20/41/300302041.db2.gz NVJHQJUWWWHBQN-CABCVRRESA-N 2 0 316.436 2.997 20 0 DFADRP C[C@H]([NH2+]C[C@@H]1CCC[NH2+]C1)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000515483337 300309395 /nfs/dbraw/zinc/30/93/95/300309395.db2.gz OHIUYURNFYAKOF-QWHCGFSZSA-N 2 0 301.434 2.567 20 0 DFADRP C[C@@H](C[NH2+]C[C@H](O)Cc1cccc(Cl)c1)C[NH+]1CCCC1 ZINC000516048460 300327559 /nfs/dbraw/zinc/32/75/59/300327559.db2.gz HGGBZWYKTYGQJK-WMLDXEAASA-N 2 0 310.869 2.565 20 0 DFADRP COc1cccc(CC[NH2+][C@@H]2CC[N@H+](C)[C@H]3CCC[C@@H]32)c1OC ZINC000516324516 300340230 /nfs/dbraw/zinc/34/02/30/300340230.db2.gz JPDRFVHHCBDHSA-ZACQAIPSSA-N 2 0 318.461 2.709 20 0 DFADRP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+](C)C1CCC(CO)CC1 ZINC000516604377 300350856 /nfs/dbraw/zinc/35/08/56/300350856.db2.gz TZHJMYBQHBDXLO-UHFFFAOYSA-N 2 0 314.433 2.559 20 0 DFADRP c1c(C[NH2+][C@@H]2CCc3ccccc3C2)onc1C1CC[NH2+]CC1 ZINC000521994222 300544446 /nfs/dbraw/zinc/54/44/46/300544446.db2.gz WPGBJSNZSCHUJV-QGZVFWFLSA-N 2 0 311.429 2.789 20 0 DFADRP CC[NH+]1CCN(c2ccc(C[NH2+][C@@H](C)[C@H]3CC34CC4)cn2)CC1 ZINC000527853899 300701416 /nfs/dbraw/zinc/70/14/16/300701416.db2.gz UOSSKGOFTFKKHU-DOTOQJQBSA-N 2 0 314.477 2.502 20 0 DFADRP C[C@@H]1CCC[C@H]([NH+]2CCC(N[C@H]3CC[NH2+]C34CCC4)CC2)C1 ZINC000530178750 301026219 /nfs/dbraw/zinc/02/62/19/301026219.db2.gz NLVSRKNJTQMPIN-NJAFHUGGSA-N 2 0 305.510 2.904 20 0 DFADRP C[C@]1(C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)COc2ccccc2O1 ZINC000530214259 301029381 /nfs/dbraw/zinc/02/93/81/301029381.db2.gz WLPDGJKZFVEREC-MKSNKDDYSA-N 2 0 316.445 2.727 20 0 DFADRP COc1cccc([C@H](C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)OC)c1 ZINC000530213102 301029433 /nfs/dbraw/zinc/02/94/33/301029433.db2.gz UZLFRHQJFIERCS-MANSERQUSA-N 2 0 318.461 2.893 20 0 DFADRP Cc1ncccc1C[NH2+][C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000530219915 301030807 /nfs/dbraw/zinc/03/08/07/301030807.db2.gz KYJSBWLYWVYAGS-MJGOQNOKSA-N 2 0 309.413 2.736 20 0 DFADRP CO[C@H](Cc1ccc(F)cc1)C[N@@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000530220090 301031186 /nfs/dbraw/zinc/03/11/86/301031186.db2.gz IMJGQZQFPZWNIP-ZIFCJYIRSA-N 2 0 320.452 2.705 20 0 DFADRP Fc1ccc(F)c(C[NH+]2CCC(CO[C@@H]3CC[NH2+]C3)CC2)c1 ZINC000530238825 301033306 /nfs/dbraw/zinc/03/33/06/301033306.db2.gz CTCZRTBSMJIBGK-MRXNPFEDSA-N 2 0 310.388 2.555 20 0 DFADRP COc1ccc(C[NH+]2CCC(CO[C@@H]3CC[NH2+]C3)CC2)cc1C ZINC000530248758 301034081 /nfs/dbraw/zinc/03/40/81/301034081.db2.gz OWSCWBZNAJXHQP-GOSISDBHSA-N 2 0 318.461 2.594 20 0 DFADRP C[C@@H]([NH2+]CCN1CC[C@H](C)C1)c1cccc(OCC[NH+](C)C)c1 ZINC000531728470 301106756 /nfs/dbraw/zinc/10/67/56/301106756.db2.gz XPIDXWPYACBTJL-DLBZAZTESA-N 2 0 319.493 2.619 20 0 DFADRP CC(C)[NH+]1CCC(O)(C[NH2+]Cc2ccnc3ccccc23)CC1 ZINC000531864265 301115728 /nfs/dbraw/zinc/11/57/28/301115728.db2.gz GUPGAEZJDXBVDK-UHFFFAOYSA-N 2 0 313.445 2.560 20 0 DFADRP CCC[N@@H+]1CC[C@H](C[NH2+]C2CCC(O)(C(F)(F)F)CC2)C1 ZINC000531956377 301120987 /nfs/dbraw/zinc/12/09/87/301120987.db2.gz BSRHEINAQSEXEW-IYXRBSQSSA-N 2 0 308.388 2.544 20 0 DFADRP C[C@@H]([NH2+]CCCN1CCN(c2cc[nH+]cc2)CC1)c1ccoc1 ZINC000531963130 301121652 /nfs/dbraw/zinc/12/16/52/301121652.db2.gz ITBLKNYZGMQFPQ-MRXNPFEDSA-N 2 0 314.433 2.538 20 0 DFADRP C[C@H]([NH2+]CC(C)(C)C[NH+](C)C)c1ccc2c(c1)CCC(=O)N2 ZINC000532442669 301152755 /nfs/dbraw/zinc/15/27/55/301152755.db2.gz GEUZUHHLBHVZTG-ZDUSSCGKSA-N 2 0 303.450 2.810 20 0 DFADRP C[C@H]([NH2+]C[C@@H]1CCC[N@H+](C)C1)c1ccc2c(c1)CCC(=O)N2 ZINC000532505372 301156814 /nfs/dbraw/zinc/15/68/14/301156814.db2.gz DFFGKRUMMWLPIW-KBPBESRZSA-N 2 0 301.434 2.564 20 0 DFADRP C[NH+](C)[C@H]1CCC[C@H]([NH2+]C2CCC(O)(C(F)(F)F)CC2)C1 ZINC000532549630 301159582 /nfs/dbraw/zinc/15/95/82/301159582.db2.gz FURGPYFEGMCBCW-QPPOZKHWSA-N 2 0 308.388 2.685 20 0 DFADRP C[C@H](C[NH2+][C@H]1CCCc2ccc(Cl)cc21)N1CC[NH+](C)CC1 ZINC000534970633 301240352 /nfs/dbraw/zinc/24/03/52/301240352.db2.gz ATSUDVGTKVOPEP-KDOFPFPSSA-N 2 0 321.896 2.943 20 0 DFADRP C[NH+]1CCC(O)(C[NH2+][C@H]2CCCc3ccc(Cl)cc32)CC1 ZINC000534977640 301240645 /nfs/dbraw/zinc/24/06/45/301240645.db2.gz XDDXBILNTRJZNF-INIZCTEOSA-N 2 0 308.853 2.764 20 0 DFADRP C[C@@H](C[NH2+][C@@H](C)c1ccc(Cl)c(F)c1)N1CC[NH+](C)CC1 ZINC000535066165 301246814 /nfs/dbraw/zinc/24/68/14/301246814.db2.gz DYFIPQPFPMITIU-STQMWFEESA-N 2 0 313.848 2.766 20 0 DFADRP C[C@@H]([NH2+]CC1(N2CCCCC2)CC[NH+](C)CC1)c1cscn1 ZINC000535065393 301246964 /nfs/dbraw/zinc/24/69/64/301246964.db2.gz PJPRSESUSYWHMR-OAHLLOKOSA-N 2 0 322.522 2.744 20 0 DFADRP CC[NH+]1CCN([C@H]2CC[N@H+](C[C@H]3CCCC(C)(C)C3)C2)CC1 ZINC000535087303 301248413 /nfs/dbraw/zinc/24/84/13/301248413.db2.gz JMHBHSGDNBIYNT-ROUUACIJSA-N 2 0 307.526 2.915 20 0 DFADRP CCc1ccc(C[N@H+](C)CC2CC[NH+](C[C@@H](C)O)CC2)s1 ZINC000535085989 301248538 /nfs/dbraw/zinc/24/85/38/301248538.db2.gz DLLHHOPUCPIHIB-CQSZACIVSA-N 2 0 310.507 2.835 20 0 DFADRP CCc1ccc(C[N@@H+]2CC[C@@H](N3CC[NH+](C(C)C)CC3)C2)s1 ZINC000537619650 301306121 /nfs/dbraw/zinc/30/61/21/301306121.db2.gz GDPGPTGMSQMZFO-MRXNPFEDSA-N 2 0 321.534 2.911 20 0 DFADRP Cc1ccc2c(c1)[C@H]([NH2+]CCCC[NH+]1CCN(C)CC1)[C@@H](C)C2 ZINC000538709289 301328718 /nfs/dbraw/zinc/32/87/18/301328718.db2.gz CEZQELKIXZHRHK-FXAWDEMLSA-N 2 0 315.505 2.846 20 0 DFADRP C[NH+](C)CCOC1CC[NH+](Cc2cnc(C3CC3)s2)CC1 ZINC000538732606 301329987 /nfs/dbraw/zinc/32/99/87/301329987.db2.gz BQUAGWOGDGORCL-UHFFFAOYSA-N 2 0 309.479 2.563 20 0 DFADRP Cc1nccn1C[C@H]1CCC[N@@H+]1Cc1cc(-c2cccnc2)n[nH]1 ZINC000539862179 301352796 /nfs/dbraw/zinc/35/27/96/301352796.db2.gz IVEFJPUIZIQDBC-QGZVFWFLSA-N 2 0 322.416 2.641 20 0 DFADRP CCc1ccc([C@H]([NH2+]C[C@@H](O)C[NH+]2CCCC2)C(C)C)cc1 ZINC000540299915 301361010 /nfs/dbraw/zinc/36/10/10/301361010.db2.gz VMWCPADNXWFSGA-RTBURBONSA-N 2 0 304.478 2.992 20 0 DFADRP CC[N@H+](CCC1CC[NH+]([C@H]2CCCN(C)C2=O)CC1)CC(C)C ZINC000540911442 301375112 /nfs/dbraw/zinc/37/51/12/301375112.db2.gz HONAAAGNABIMEG-SFHVURJKSA-N 2 0 323.525 2.687 20 0 DFADRP Cc1cc([C@H]([NH2+][C@@H](C)CN2CC[NH+](C)CC2)C2CC2)ccc1F ZINC000359396994 301421084 /nfs/dbraw/zinc/42/10/84/301421084.db2.gz XKLYFOGQTDVKOY-HNAYVOBHSA-N 2 0 319.468 2.811 20 0 DFADRP C[NH+](C)CCCCC(=O)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000552369716 301690802 /nfs/dbraw/zinc/69/08/02/301690802.db2.gz BMSZVKNEANCIJV-GOSISDBHSA-N 2 0 323.525 2.833 20 0 DFADRP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@@H]2CCCC23CCCC3)CC1 ZINC000556076845 301784230 /nfs/dbraw/zinc/78/42/30/301784230.db2.gz RXILDOFLCFLXOH-QZTJIDSGSA-N 2 0 307.526 2.963 20 0 DFADRP CC1(C)CC([NH2+]C[C@H](O)Cc2ccc(F)cc2)CC(C)(C)[NH2+]1 ZINC000556419913 301795819 /nfs/dbraw/zinc/79/58/19/301795819.db2.gz PZHXTDJRJFPKKG-MRXNPFEDSA-N 2 0 308.441 2.628 20 0 DFADRP CC(C)n1ncc2c1C[C@@H]([NH2+]C1CC[NH+](CC3CC3)CC1)CC2 ZINC000558720434 301858356 /nfs/dbraw/zinc/85/83/56/301858356.db2.gz KZGYMFLDGVQSFP-SFHVURJKSA-N 2 0 316.493 2.785 20 0 DFADRP Cc1cc(CNc2c[nH+]ccc2N2CC[NH+](C)CC2)cs1 ZINC000560116429 301884097 /nfs/dbraw/zinc/88/40/97/301884097.db2.gz APLXDBXAVZUMJV-UHFFFAOYSA-N 2 0 302.447 2.815 20 0 DFADRP C[C@@]1(C[NH2+]Cc2ccc(Oc3cnccn3)cc2)CCC[NH2+]C1 ZINC000562746117 301998267 /nfs/dbraw/zinc/99/82/67/301998267.db2.gz YOQJIBFJLGVZJN-GOSISDBHSA-N 2 0 312.417 2.748 20 0 DFADRP COc1ccc(CCC[NH2+][C@H](C)[C@H]2CCC[NH2+]C2)cc1OC ZINC000562747981 301998612 /nfs/dbraw/zinc/99/86/12/301998612.db2.gz DQSVQSRGVRJBIC-ZBFHGGJFSA-N 2 0 306.450 2.614 20 0 DFADRP CCOC(=O)c1oc2c(c1C)[C@H]([NH2+]CC1CC[NH2+]CC1)CCC2 ZINC000562956073 302017408 /nfs/dbraw/zinc/01/74/08/302017408.db2.gz CLXGRHMHGJZOJX-CQSZACIVSA-N 2 0 320.433 2.731 20 0 DFADRP CC(C)NC(=O)Nc1ccc([C@H](C)[NH2+]CC2CC[NH2+]CC2)cc1 ZINC000562956356 302017526 /nfs/dbraw/zinc/01/75/26/302017526.db2.gz PXTRCBFTAUJDDR-AWEZNQCLSA-N 2 0 318.465 2.867 20 0 DFADRP Cc1ccc(Cl)cc1NC(=O)C[C@@H](C)[NH2+]CC1CC[NH2+]CC1 ZINC000562955886 302017570 /nfs/dbraw/zinc/01/75/70/302017570.db2.gz MDIRWXHTVKFBCD-CYBMUJFWSA-N 2 0 323.868 2.955 20 0 DFADRP Brc1cccc2c1C[C@H]([NH2+]CC1CC[NH2+]CC1)CC2 ZINC000562956602 302017646 /nfs/dbraw/zinc/01/76/46/302017646.db2.gz BJZYBLQASNVCTN-CQSZACIVSA-N 2 0 323.278 2.896 20 0 DFADRP CCOC[C@H](O)C[NH2+]Cc1cccc(C[NH+]2CCCCCC2)c1 ZINC000562986638 302021410 /nfs/dbraw/zinc/02/14/10/302021410.db2.gz HORQDFGRAFOHSK-LJQANCHMSA-N 2 0 320.477 2.550 20 0 DFADRP C[NH+](C)CC1CCC([NH2+]C[C@H](O)Cc2cccc(Cl)c2)CC1 ZINC000562995440 302022861 /nfs/dbraw/zinc/02/28/61/302022861.db2.gz SFBIHJAUTOKGSN-IUPXNIOVSA-N 2 0 324.896 2.953 20 0 DFADRP [NH3+][C@@H]1CCC[C@H]([NH2+][C@H]2CCCN(c3ccccc3Cl)C2=O)C1 ZINC000563423729 302071217 /nfs/dbraw/zinc/07/12/17/302071217.db2.gz IWTIPSSLBFVCJP-IPYPFGDCSA-N 2 0 321.852 2.695 20 0 DFADRP Cc1ccccc1C[C@@H]([NH2+][C@H](C)CN1CC[NH+](C)CC1)C1CC1 ZINC000284254347 302100903 /nfs/dbraw/zinc/10/09/03/302100903.db2.gz IPMQRFSMAJASTK-YLJYHZDGSA-N 2 0 315.505 2.542 20 0 DFADRP CC[N@H+](Cc1ccc(C(=O)N[C@H](C)C[C@H](C)[NH3+])cc1)C1CC1 ZINC000563961197 302112208 /nfs/dbraw/zinc/11/22/08/302112208.db2.gz ZBUNWFDHNQWQHT-UONOGXRCSA-N 2 0 303.450 2.527 20 0 DFADRP Cc1ccc(OC[C@H](O)C[NH2+]CC[C@@H](C)[NH+]2CCCCC2)cc1 ZINC000564077811 302117250 /nfs/dbraw/zinc/11/72/50/302117250.db2.gz WEWSYXODXGAVCB-QZTJIDSGSA-N 2 0 320.477 2.589 20 0 DFADRP Cc1cnn([C@H]2CC[N@H+](Cc3cn(-c4cc[nH+]cc4)nc3C)C2)c1 ZINC000564539740 302140403 /nfs/dbraw/zinc/14/04/03/302140403.db2.gz BSUKZSAIXRCOFA-SFHVURJKSA-N 2 0 322.416 2.528 20 0 DFADRP C[C@@H]([NH2+]CC1CCN(c2ccccc2)CC1)[C@@H]1CCC[NH2+]C1 ZINC000564823385 302161182 /nfs/dbraw/zinc/16/11/82/302161182.db2.gz PNDRAMXIOPEARS-SJLPKXTDSA-N 2 0 301.478 2.881 20 0 DFADRP Cc1noc(C[C@@H]([NH2+]C2CCC([NH3+])CC2)c2ccccc2)n1 ZINC000564822619 302161324 /nfs/dbraw/zinc/16/13/24/302161324.db2.gz IPXLDCXONTVSCM-UYSNPLJNSA-N 2 0 300.406 2.521 20 0 DFADRP [NH3+]CCC1CC[NH+]([C@H]2CCN(c3cccc(Cl)c3)C2=O)CC1 ZINC000565096222 302193693 /nfs/dbraw/zinc/19/36/93/302193693.db2.gz LOLUHAQHVAJMEW-INIZCTEOSA-N 2 0 321.852 2.506 20 0 DFADRP CC(C)C[C@H](CNC(=O)C(C)(C)[NH3+])[NH2+][C@H](C)c1ccccc1 ZINC000565361405 302220645 /nfs/dbraw/zinc/22/06/45/302220645.db2.gz NIRBZSVEMCBXMH-GDBMZVCRSA-N 2 0 305.466 2.605 20 0 DFADRP C[C@H]1CCC[N@H+](Cc2ccc(NC(=O)[C@@]3(C)CCC[NH2+]3)cc2)C1 ZINC000565424131 302224369 /nfs/dbraw/zinc/22/43/69/302224369.db2.gz YXGWRJBXBZTCJL-HNAYVOBHSA-N 2 0 315.461 2.999 20 0 DFADRP CC[C@H](C[NH2+][C@H]1CCC[C@H]([NH3+])C1)N1CCc2ccccc2C1 ZINC000565491836 302227675 /nfs/dbraw/zinc/22/76/75/302227675.db2.gz RVHUEYMUXSVCFU-GBESFXJTSA-N 2 0 301.478 2.683 20 0 DFADRP CC[NH+](CC)CC1CC[NH+](Cc2ccc3c(c2)C[NH2+]CC3)CC1 ZINC000565780369 302241837 /nfs/dbraw/zinc/24/18/37/302241837.db2.gz SAJMGLOPTVIETI-UHFFFAOYSA-N 3 0 315.505 2.886 20 0 DFADRP CCO[C@@H]1C[C@H]([NH2+]CC2([NH3+])CCCCCC2)C12CCOCC2 ZINC000565827639 302244002 /nfs/dbraw/zinc/24/40/02/302244002.db2.gz QZQCYTAFOUCEOT-JKSUJKDBSA-N 2 0 310.482 2.602 20 0 DFADRP CCc1ccc([C@H](CNC(=O)[C@@H]2CCCCC[NH2+]2)[NH+](C)C)cc1 ZINC000566011856 302253272 /nfs/dbraw/zinc/25/32/72/302253272.db2.gz IIHPFVDHQWAFDK-ROUUACIJSA-N 2 0 317.477 2.500 20 0 DFADRP Cc1cc(C)n(-c2ccccc2C[NH2+][C@H](C)[C@@H]2CCC[NH2+]C2)n1 ZINC000566056384 302256141 /nfs/dbraw/zinc/25/61/41/302256141.db2.gz XYNFBWZNALXXSI-IAGOWNOFSA-N 2 0 312.461 2.967 20 0 DFADRP [NH3+][C@@H]1C[C@@H](NC2CC[NH+](Cc3ccncc3)CC2)c2ccccc21 ZINC000566089240 302258491 /nfs/dbraw/zinc/25/84/91/302258491.db2.gz JDKWKPQNLBPMQL-WOJBJXKFSA-N 2 0 322.456 2.780 20 0 DFADRP C[C@H]([NH2+]C[C@H](c1ccc(Cl)cc1)N(C)C)[C@@H]1CCC[NH2+]C1 ZINC000566089479 302258755 /nfs/dbraw/zinc/25/87/55/302258755.db2.gz BBSLXHBMROAYCR-YSVLISHTSA-N 2 0 309.885 2.920 20 0 DFADRP CC(C)[NH+](CCC[NH2+]C[C@@H](O)Cc1ccc(F)cc1)C(C)C ZINC000566113406 302260790 /nfs/dbraw/zinc/26/07/90/302260790.db2.gz YZPSFYGWUYMLBK-SFHVURJKSA-N 2 0 310.457 2.828 20 0 DFADRP C[NH+](C)Cc1ccc(NC(=O)C[C@@H]([NH3+])Cc2ccccc2)cc1 ZINC000566172037 302265467 /nfs/dbraw/zinc/26/54/67/302265467.db2.gz WJQDOANZQXHHHX-KRWDZBQOSA-N 2 0 311.429 2.647 20 0 DFADRP Cc1nc2c(n1[C@@H]1CC[N@H+](C[C@H]3CCCC[C@@H]3O)C1)CCCC2 ZINC000566300327 302276657 /nfs/dbraw/zinc/27/66/57/302276657.db2.gz KEDRGWPWJWIASQ-MDZRGWNJSA-N 2 0 317.477 2.868 20 0 DFADRP Cc1nc2c(n1[C@@H]1CC[N@H+](C[C@@H]3CCCC[C@@H]3O)C1)CCCC2 ZINC000566300322 302276891 /nfs/dbraw/zinc/27/68/91/302276891.db2.gz KEDRGWPWJWIASQ-FCEWJHQRSA-N 2 0 317.477 2.868 20 0 DFADRP COCC[NH2+]C1CCN(Cc2ccc(SC)c(OC)c2)CC1 ZINC000566316568 302278865 /nfs/dbraw/zinc/27/88/65/302278865.db2.gz FAFBLPZHFUZCPI-UHFFFAOYSA-N 2 0 324.490 2.618 20 0 DFADRP Oc1cccnc1C[N@@H+]1C[C@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000566535141 302293314 /nfs/dbraw/zinc/29/33/14/302293314.db2.gz VICQCUXWUWFCDX-MSOLQXFVSA-N 2 0 323.440 2.741 20 0 DFADRP c1cc2c(cc1C[NH+]1CCC([C@H]3CCCO3)CC1)C[NH2+]CC2 ZINC000566743212 302308680 /nfs/dbraw/zinc/30/86/80/302308680.db2.gz PAFKIDNBGRQRSG-LJQANCHMSA-N 2 0 300.446 2.723 20 0 DFADRP Cn1cc(C[NH2+]C[C@@H]2CCC[C@@H]([NH3+])C2)c(-c2cccs2)n1 ZINC000566843623 302316140 /nfs/dbraw/zinc/31/61/40/302316140.db2.gz FXJUHUFPRHTMAN-TZMCWYRMSA-N 2 0 304.463 2.756 20 0 DFADRP CC[C@H](C)C[C@@H](NC1CCN(c2ccccn2)CC1)C(=O)OC ZINC000566858848 302317571 /nfs/dbraw/zinc/31/75/71/302317571.db2.gz BGXFTRWWPCGPGD-GOEBONIOSA-N 2 0 319.449 2.618 20 0 DFADRP [NH3+]C[C@@H]1CCC[C@H]1[NH2+]Cc1cccc(NC(=O)c2ccccn2)c1 ZINC000566967960 302325951 /nfs/dbraw/zinc/32/59/51/302325951.db2.gz ZUYYMSHZKQSNPG-DOTOQJQBSA-N 2 0 324.428 2.551 20 0 DFADRP CC(C)c1nc2n(n1)C[C@@H]([NH2+][C@H](C)C[C@@H]1CCCCC[NH2+]1)CC2 ZINC000567260342 302345583 /nfs/dbraw/zinc/34/55/83/302345583.db2.gz LLMVCTBTEBPYON-PMPSAXMXSA-N 2 0 319.497 2.617 20 0 DFADRP CC[NH+](CC)[C@H](CN[C@@H]1CCC[C@@H]([NH3+])C1)c1cccc(OC)c1 ZINC000567406962 302357049 /nfs/dbraw/zinc/35/70/49/302357049.db2.gz XUHPFOZTIJGWQM-ZHALLVOQSA-N 2 0 319.493 2.938 20 0 DFADRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)Nc1ccc2c(c1)C[NH2+]CC2 ZINC000567500177 302364275 /nfs/dbraw/zinc/36/42/75/302364275.db2.gz MUMQTUAWVRKFKA-QGZVFWFLSA-N 2 0 301.434 2.534 20 0 DFADRP COc1ccccc1OC[C@H](C)C[NH2+][C@H](C)[C@H]1CCC[NH2+]C1 ZINC000567646075 302375738 /nfs/dbraw/zinc/37/57/38/302375738.db2.gz SDGWKRRZBVZIQB-OAGGEKHMSA-N 2 0 306.450 2.688 20 0 DFADRP Cc1ncc2c(n1)CC[C@H]([NH2+][C@H](C)C[C@@H]1CCCCC[NH2+]1)C2 ZINC000567641212 302375807 /nfs/dbraw/zinc/37/58/07/302375807.db2.gz OQILYIHYFRBRIX-COXVUDFISA-N 2 0 302.466 2.543 20 0 DFADRP [NH3+][C@H]1CCC[C@H]([NH2+]Cc2cccc(COC3CCOCC3)c2)C1 ZINC000567915077 302398525 /nfs/dbraw/zinc/39/85/25/302398525.db2.gz GFZZWIQCDQGYKB-ROUUACIJSA-N 2 0 318.461 2.742 20 0 DFADRP Cc1ccc(C[NH2+][C@@H]2CCC[C@H]([NH3+])C2)c(O[C@H]2CCOC2)c1 ZINC000568651442 302467973 /nfs/dbraw/zinc/46/79/73/302467973.db2.gz UNGXUDULJBVLOR-BBWFWOEESA-N 2 0 304.434 2.522 20 0 DFADRP C[C@H]([NH3+])[C@H]1COCC[C@H]1[NH2+]Cc1ccc(-c2ccncc2)cc1 ZINC000569330361 302512139 /nfs/dbraw/zinc/51/21/39/302512139.db2.gz SKLVECSFUZQBQR-GDIGMMSISA-N 2 0 311.429 2.591 20 0 DFADRP [NH3+]CCC1CC[NH+](Cc2c(F)cccc2N2CCCC2)CC1 ZINC000569815179 302539855 /nfs/dbraw/zinc/53/98/55/302539855.db2.gz PJNIQXMUEZFLEO-UHFFFAOYSA-N 2 0 305.441 2.987 20 0 DFADRP C[C@@H](CC(=O)N(C)c1ccccc1)[NH2+]Cc1ccc(C[NH3+])cc1 ZINC000571882659 302636523 /nfs/dbraw/zinc/63/65/23/302636523.db2.gz URZIXAXLHILLQQ-HNNXBMFYSA-N 2 0 311.429 2.677 20 0 DFADRP C[C@@H]1CC(C)(C)C[C@@](CO)([NH2+]Cc2ccc3c(c2)C[NH2+]CC3)C1 ZINC000572295170 302653820 /nfs/dbraw/zinc/65/38/20/302653820.db2.gz XZUULPNGRQFJQA-QRWLVFNGSA-N 2 0 316.489 2.999 20 0 DFADRP Cn1cc(C[NH+]2CCC(CC[NH+](C)C)CC2)c(C(C)(C)C)n1 ZINC000179827052 316018854 /nfs/dbraw/zinc/01/88/54/316018854.db2.gz CODYZZCISKDOAC-UHFFFAOYSA-N 2 0 306.498 2.881 20 0 DFADRP C[C@@H]([NH2+]CCCC[NH2+][C@H](C)C1CCOCC1)C1CCOCC1 ZINC000179851918 316020127 /nfs/dbraw/zinc/02/01/27/316020127.db2.gz TYZJATAYHWRSNB-HZPDHXFCSA-N 2 0 312.498 2.576 20 0 DFADRP CCO[C@@H]1C[C@H]([NH2+]CCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)C1(C)C ZINC000181616398 316064749 /nfs/dbraw/zinc/06/47/49/316064749.db2.gz WHIHQPXGKCRYKE-VVLHAWIVSA-N 2 0 312.498 2.669 20 0 DFADRP C[C@@H](Cc1ccccc1)C[NH+]1CCC(C[NH+]2CCOCC2)CC1 ZINC000182031638 316083654 /nfs/dbraw/zinc/08/36/54/316083654.db2.gz DHJXZUWHLJSPCR-SFHVURJKSA-N 2 0 316.489 2.909 20 0 DFADRP CC[C@H]1CCC[C@@H](C[NH+]2CCC(C(=O)NCC[NH+](C)C)CC2)C1 ZINC000183021906 316127262 /nfs/dbraw/zinc/12/72/62/316127262.db2.gz XLDBMEDLNSYSQZ-DLBZAZTESA-N 2 0 323.525 2.593 20 0 DFADRP CC[NH+](CC)[C@@H](CNc1cc[nH+]cc1C(N)=O)c1ccccc1 ZINC000184039642 316157488 /nfs/dbraw/zinc/15/74/88/316157488.db2.gz RQCWGBBSOJOIMI-KRWDZBQOSA-N 2 0 312.417 2.676 20 0 DFADRP CC[N@H+](CC(=O)NC[C@H](c1ccccc1)[NH+](C)C)C1CCCC1 ZINC000184947865 316177369 /nfs/dbraw/zinc/17/73/69/316177369.db2.gz POWNLPSXYMPEND-GOSISDBHSA-N 2 0 317.477 2.670 20 0 DFADRP CCC[C@H]([NH2+]C[C@H](C)N1CC[NH+](CC)CC1)c1cccnc1 ZINC000185021594 316177959 /nfs/dbraw/zinc/17/79/59/316177959.db2.gz DQVDFLHABIABEK-WMZOPIPTSA-N 2 0 304.482 2.538 20 0 DFADRP COC[C@H]([NH2+]CCC[N@H+](C)C1CCCCC1)C1CCOCC1 ZINC000187722229 316213141 /nfs/dbraw/zinc/21/31/41/316213141.db2.gz PDANEQIVQZVQCX-SFHVURJKSA-N 2 0 312.498 2.672 20 0 DFADRP COC[C@@H](C)C[NH2+]CC1CC[NH+](Cc2ccc(OC)cc2)CC1 ZINC000187764246 316214285 /nfs/dbraw/zinc/21/42/85/316214285.db2.gz XUBNLCUXEPHMNJ-INIZCTEOSA-N 2 0 320.477 2.779 20 0 DFADRP C[C@@H](CC(=O)Nc1ccc(C[NH+](C)C)cc1)[C@@H]1CCC[NH2+]C1 ZINC000317302892 316248325 /nfs/dbraw/zinc/24/83/25/316248325.db2.gz XDPQJORJCXWDOM-GOEBONIOSA-N 2 0 303.450 2.713 20 0 DFADRP [NH3+][C@H](CCC(=O)N1CC[C@@H]([NH+]2CCCCC2)C1)c1ccccc1 ZINC000321394263 316256691 /nfs/dbraw/zinc/25/66/91/316256691.db2.gz OZNVQGFJCWYIST-QZTJIDSGSA-N 2 0 315.461 2.553 20 0 DFADRP COc1ccccc1[C@H](C[NH2+][C@@H]1C[C@H](C)[N@H+](C)C[C@@H]1C)N(C)C ZINC000341884906 316310871 /nfs/dbraw/zinc/31/08/71/316310871.db2.gz ILFJPMSITMIPFP-ONIAQPFYSA-N 2 0 319.493 2.616 20 0 DFADRP Cc1cnccc1OC1CC[NH+](C[C@@H]2CC[NH2+][C@@H](C)C2)CC1 ZINC000414740392 316644840 /nfs/dbraw/zinc/64/48/40/316644840.db2.gz LFMUYOJJFXMZQU-JKSUJKDBSA-N 2 0 303.450 2.621 20 0 DFADRP COc1ccc(Br)cc1C[NH2+][C@H]1CCC[C@H]1C[NH3+] ZINC000414791570 316659344 /nfs/dbraw/zinc/65/93/44/316659344.db2.gz HYGPHSIDKHRGIP-GWCFXTLKSA-N 2 0 313.239 2.675 20 0 DFADRP COc1ccc(C[NH2+][C@H]2CCCC[C@H]2C[NH3+])c(Cl)c1OC ZINC000414792009 316659454 /nfs/dbraw/zinc/65/94/54/316659454.db2.gz BUEVUAOWEIXNEO-AAEUAGOBSA-N 2 0 312.841 2.964 20 0 DFADRP CCOc1c(OC)cc(C[NH2+][C@@H]2CCCC[C@H]2C[NH3+])cc1OC ZINC000414813501 316665698 /nfs/dbraw/zinc/66/56/98/316665698.db2.gz YKHUSXFBSCDWJR-LSDHHAIUSA-N 2 0 322.449 2.710 20 0 DFADRP CC(C)[NH+]1CCC(N(C)C(=O)[C@@H]2CCCCCC[C@@H]2[NH3+])CC1 ZINC000430746613 316853458 /nfs/dbraw/zinc/85/34/58/316853458.db2.gz RCIKUKCSNCLWTH-SJORKVTESA-N 2 0 309.498 2.615 20 0 DFADRP Cc1ccc([C@H](C)N(C)C(=O)CCC[NH+]2CCC([NH3+])CC2)cc1 ZINC000433168200 316884773 /nfs/dbraw/zinc/88/47/73/316884773.db2.gz LXKLMZYSIQBQTF-INIZCTEOSA-N 2 0 317.477 2.718 20 0 DFADRP CC(C)N(CC[NH+](C)C)C(=O)Nc1ccccc1CC[NH+](C)C ZINC000446578710 317017122 /nfs/dbraw/zinc/01/71/22/317017122.db2.gz WAUJPFUMVHMVBX-UHFFFAOYSA-N 2 0 320.481 2.595 20 0 DFADRP CCOC(=O)[C@@H]1CC[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)C[C@H]1C ZINC000449559529 317044754 /nfs/dbraw/zinc/04/47/54/317044754.db2.gz BWVAMNZSKYVHCC-NQMMUZQISA-N 2 0 308.466 2.569 20 0 DFADRP CCc1cc(N2CC[C@H](OCC[NH+]3CCCCC3)C2)cc[nH+]1 ZINC000450393725 317088999 /nfs/dbraw/zinc/08/89/99/317088999.db2.gz QTNCPYPXWCILOY-SFHVURJKSA-N 2 0 303.450 2.725 20 0 DFADRP CC[N@H+](C)CCN[C@@H]1CC[NH+](Cc2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000453081186 317160691 /nfs/dbraw/zinc/16/06/91/317160691.db2.gz PKKJOVCVBUJUOF-VAMGGRTRSA-N 2 0 315.505 2.971 20 0 DFADRP CC[C@@H]([NH2+]CCCC[NH+]1CCN(CC)CC1)c1ccncc1 ZINC000453101108 317161976 /nfs/dbraw/zinc/16/19/76/317161976.db2.gz YTUNXAZGLXTZDE-GOSISDBHSA-N 2 0 304.482 2.540 20 0 DFADRP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@H]1CC[C@@H](C)c2ccsc21 ZINC000453100659 317162000 /nfs/dbraw/zinc/16/20/00/317162000.db2.gz MPHLGWUMNHGYQW-FMKPAKJESA-N 2 0 307.507 2.912 20 0 DFADRP C[C@@H]1CC[C@@H]([NH2+]CC2CC[NH+](CCO)CC2)c2sccc21 ZINC000453102194 317162974 /nfs/dbraw/zinc/16/29/74/317162974.db2.gz OXWITVFASOQPDQ-CZUORRHYSA-N 2 0 308.491 2.980 20 0 DFADRP O[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+][C@H](C2CC2)C2CCC2)CC1 ZINC000453161525 317167169 /nfs/dbraw/zinc/16/71/69/317167169.db2.gz ONPKNLRDMDADNI-QRVBRYPASA-N 2 0 306.494 2.923 20 0 DFADRP C[C@@H](CCN1CC[NH+](C)CC1)[NH2+]C1CCc2ccccc2CC1 ZINC000453202786 317168792 /nfs/dbraw/zinc/16/87/92/317168792.db2.gz UJKBJAFIHOYHRA-KRWDZBQOSA-N 2 0 315.505 2.550 20 0 DFADRP CCO[C@@H]1C[C@H]([NH2+][C@H]2CCCN(CCCO)C2)C12CCCCC2 ZINC000453288138 317176247 /nfs/dbraw/zinc/17/62/47/317176247.db2.gz JWEKVMFMFLUZAH-OKZBNKHCSA-N 2 0 324.509 2.551 20 0 DFADRP C[N@H+](CCCC[NH2+]Cc1ccnn1-c1ccc(F)cc1)C1CC1 ZINC000453594967 317192688 /nfs/dbraw/zinc/19/26/88/317192688.db2.gz IXHGPXLSFCPLRK-UHFFFAOYSA-N 2 0 316.424 2.975 20 0 DFADRP C[C@H](O)C[N@H+](C)C1CC[NH+](CC2CCC(F)(F)CC2)CC1 ZINC000459335906 317319954 /nfs/dbraw/zinc/31/99/54/317319954.db2.gz OYHGLYBMJUFQOW-ZDUSSCGKSA-N 2 0 304.425 2.589 20 0 DFADRP C[NH+](C)CCOC1CC[NH+](CCc2cccc(Cl)c2)CC1 ZINC000459338516 317320895 /nfs/dbraw/zinc/32/08/95/317320895.db2.gz CBIATRZNRLCOLH-UHFFFAOYSA-N 2 0 310.869 2.925 20 0 DFADRP COCCSCCC[NH2+][C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000488278034 317380122 /nfs/dbraw/zinc/38/01/22/317380122.db2.gz IFHHJTYYPIMKAN-JKSUJKDBSA-N 2 0 314.539 2.999 20 0 DFADRP C[C@@H]1C[C@H]1C[NH2+]CCCN1CC[N@H+](C)C[C@@H]1c1ccccc1 ZINC000488436966 317392939 /nfs/dbraw/zinc/39/29/39/317392939.db2.gz CNQDKPDLGGPQFA-NZSAHSFTSA-N 2 0 301.478 2.611 20 0 DFADRP CCC[C@H](C[NH+]1CCN([C@@H]2CC[NH2+]C2)CC1)c1ccccc1 ZINC000491132404 317550945 /nfs/dbraw/zinc/55/09/45/317550945.db2.gz IQBMHOPQBXAJOC-RTBURBONSA-N 2 0 301.478 2.550 20 0 DFADRP ClC1(Cl)C[C@@H]1CC[NH+]1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000530240449 317777969 /nfs/dbraw/zinc/77/79/69/317777969.db2.gz LCMDYBIVBHVVHS-UONOGXRCSA-N 2 0 321.292 2.661 20 0 DFADRP Cc1ccc(C[NH+]2CCC(CO[C@H]3CC[NH2+]C3)CC2)cc1F ZINC000530241142 317777989 /nfs/dbraw/zinc/77/79/89/317777989.db2.gz IINYCJFOFNQKSG-KRWDZBQOSA-N 2 0 306.425 2.725 20 0 DFADRP COc1cccc(CC[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)c1OC ZINC000570953596 317972723 /nfs/dbraw/zinc/97/27/23/317972723.db2.gz RVKGAYXXINOMLT-GVDBMIGSSA-N 2 0 318.461 2.757 20 0 DFADRP O=C(Nc1cccc(C[NH2+][C@H]2CCC[NH2+]CC2)c1)C1CCC1 ZINC000571265680 317981031 /nfs/dbraw/zinc/98/10/31/317981031.db2.gz BSFOVZLOLMPUMV-INIZCTEOSA-N 2 0 301.434 2.657 20 0 DFADRP CC(C)C(=O)Nc1ccc(C[NH2+][C@H](C)[C@@H]2CCC[NH2+]C2)cc1 ZINC000571514378 317985874 /nfs/dbraw/zinc/98/58/74/317985874.db2.gz YYCOOFILMAIEOD-GDBMZVCRSA-N 2 0 303.450 2.759 20 0 DFADRP CC[NH+]1CCN(c2ccccc2N[C@@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000571657032 317988823 /nfs/dbraw/zinc/98/88/23/317988823.db2.gz IKTABDCVLRBGQP-JKSUJKDBSA-N 2 0 302.466 2.510 20 0 DFADRP Cc1ccc(C[C@H](CO)[NH2+]C2CC[NH+](CC3CC3)CC2)cc1C ZINC000573417221 318018649 /nfs/dbraw/zinc/01/86/49/318018649.db2.gz DEYLBQFNVHVXCH-HXUWFJFHSA-N 2 0 316.489 2.671 20 0 DFADRP Fc1ccc2c(c1)OC[C@H]([NH2+]C1CC[NH+](CC3CC3)CC1)C2 ZINC000573579272 318022030 /nfs/dbraw/zinc/02/20/30/318022030.db2.gz RVZFJEXECHLPBR-QGZVFWFLSA-N 2 0 304.409 2.593 20 0 DFADRP Cc1cccn2cc(Cc3nc(C4([NH3+])CCCCC4)no3)nc12 ZINC000574564414 318024525 /nfs/dbraw/zinc/02/45/25/318024525.db2.gz FTOZKAWSWDTNBN-UHFFFAOYSA-N 2 0 311.389 2.735 20 0 DFADRP C[C@@H]1CCCC[N@@H+]1CCCC[NH2+]C[C@@H](O)Cc1ccc(F)cc1 ZINC000574868940 318045975 /nfs/dbraw/zinc/04/59/75/318045975.db2.gz FNJUUIMHLQAJML-APWZRJJASA-N 2 0 322.468 2.973 20 0 DFADRP CC1=CCN(CC[NH2+]CCC(=O)Nc2cccc(F)c2C)CC1 ZINC000574871025 318046273 /nfs/dbraw/zinc/04/62/73/318046273.db2.gz LOLSXOGZFLHEGP-UHFFFAOYSA-N 2 0 319.424 2.704 20 0 DFADRP CSc1ccc(C[NH2+]CCCC[NH+]2CCN(C)CC2)s1 ZINC000575221081 318071062 /nfs/dbraw/zinc/07/10/62/318071062.db2.gz BLLMFSORPUNPGX-UHFFFAOYSA-N 2 0 313.536 2.587 20 0 DFADRP Fc1ccccc1-c1n[nH]cc1C[NH2+]CC[C@H]1CCC[NH2+]C1 ZINC000575233093 318071658 /nfs/dbraw/zinc/07/16/58/318071658.db2.gz IUDVQZQPZJOTHC-CYBMUJFWSA-N 2 0 302.397 2.695 20 0 DFADRP Cc1ccc(NC(=O)CC[NH2+]C2CC(C)(C)[NH2+]C(C)(C)C2)nc1 ZINC000576220728 318111578 /nfs/dbraw/zinc/11/15/78/318111578.db2.gz IXBBRLZYOAYUHP-UHFFFAOYSA-N 2 0 318.465 2.617 20 0 DFADRP CC[N@H+](C)[C@@H](C(=O)NCC1CC[NH+](CC)CC1)c1ccccc1 ZINC000576377000 318122545 /nfs/dbraw/zinc/12/25/45/318122545.db2.gz NPGMQEMAIIMHRX-GOSISDBHSA-N 2 0 317.477 2.528 20 0 DFADRP [NH3+][C@@H]1CCC[C@H]([NH2+][C@H](CO)c2ccc(C(F)(F)F)cc2)C1 ZINC000576480606 318129866 /nfs/dbraw/zinc/12/98/66/318129866.db2.gz ZAIIQAAXQKBGLQ-HZSPNIEDSA-N 2 0 302.340 2.598 20 0 DFADRP CCc1cccc(C[NH2+]C2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)c1 ZINC000576522758 318132091 /nfs/dbraw/zinc/13/20/91/318132091.db2.gz FWQFOKJWDQTFNJ-OALUTQOASA-N 2 0 302.462 2.716 20 0 DFADRP Cc1ccccc1[C@H]([NH3+])C(=O)N1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000576581159 318135707 /nfs/dbraw/zinc/13/57/07/318135707.db2.gz QFNCYEUIAMEFEC-SFHVURJKSA-N 2 0 317.477 2.574 20 0 DFADRP CCOc1cccc2cc([C@@H](C)NC[C@H]3C[NH2+]CCCO3)oc21 ZINC000576695578 318143644 /nfs/dbraw/zinc/14/36/44/318143644.db2.gz NOXBBPFTQCLWLM-UKRRQHHQSA-N 2 0 318.417 2.861 20 0 DFADRP OCC1([NH2+]CC2CC2)CC[NH+](CCCCc2ccccc2)CC1 ZINC000576759508 318148471 /nfs/dbraw/zinc/14/84/71/318148471.db2.gz ZZRWZKPCSDCBJM-UHFFFAOYSA-N 2 0 316.489 2.836 20 0 DFADRP C[C@@H](CC(=O)Nc1cccc(Cl)c1)[NH2+]CC1=CC[NH2+]CC1 ZINC000576976551 318163212 /nfs/dbraw/zinc/16/32/12/318163212.db2.gz CDOWUNJLOHVWPN-LBPRGKRZSA-N 2 0 307.825 2.566 20 0 DFADRP Cc1ccccc1OC[C@H](O)C[NH2+]CC[C@@H](C)[NH+]1CCCCC1 ZINC000577276115 318182424 /nfs/dbraw/zinc/18/24/24/318182424.db2.gz RMCDFJAFRKZNFP-QZTJIDSGSA-N 2 0 320.477 2.589 20 0 DFADRP [NH3+][C@@H]1CCC[C@@H]([NH2+]Cc2cccc(NC(=O)c3ccccn3)c2)C1 ZINC000577626662 318206512 /nfs/dbraw/zinc/20/65/12/318206512.db2.gz NSYAQXLCVVHIBW-HZPDHXFCSA-N 2 0 324.428 2.693 20 0 DFADRP C[C@@H]([NH2+]Cc1ccc(C[NH+]2CCCC2)cc1)[C@@H]1CCC[NH2+]C1 ZINC000577720295 318212329 /nfs/dbraw/zinc/21/23/29/318212329.db2.gz IILVYRXUWDAHSE-VQIMIIECSA-N 3 0 301.478 2.760 20 0 DFADRP COc1cc2c(cc1C[NH+]1CCC3(CC[NH2+]C3)CC1)O[C@H](C)C2 ZINC000577730398 318213096 /nfs/dbraw/zinc/21/30/96/318213096.db2.gz PGINZZMIJFJNHF-CQSZACIVSA-N 2 0 316.445 2.594 20 0 DFADRP CC[C@H](C[NH2+][C@H](C)[C@H]1CCC[NH2+]C1)N1CCc2ccccc2C1 ZINC000577739726 318213877 /nfs/dbraw/zinc/21/38/77/318213877.db2.gz DJKWDVMFEDIZBK-IMFGXOCKSA-N 2 0 315.505 2.801 20 0 DFADRP CSCC1CCC([NH2+]CCCC[NH+]2CCN(C)CC2)CC1 ZINC000577816012 318218018 /nfs/dbraw/zinc/21/80/18/318218018.db2.gz LIVJDFRTTDAULI-UHFFFAOYSA-N 2 0 313.555 2.525 20 0 DFADRP C[C@H]([NH2+]Cc1ccc2c(c1)C[NH2+]CC2)[C@H]1COc2ccccc21 ZINC000578137138 318240755 /nfs/dbraw/zinc/24/07/55/318240755.db2.gz UANCCHIRJLCPHL-IFXJQAMLSA-N 2 0 308.425 2.987 20 0 DFADRP CC(C)OC(=O)C[C@H]([NH2+][C@@H]1CCC[C@H]([NH3+])C1)c1ccccc1 ZINC000578206477 318245077 /nfs/dbraw/zinc/24/50/77/318245077.db2.gz UEJRCUGAGCGNNL-BBWFWOEESA-N 2 0 304.434 2.929 20 0 DFADRP Cc1ccccc1[C@H](C)NC(=O)[C@@H](C)[NH+]1CCC(CC[NH3+])CC1 ZINC000578329719 318254060 /nfs/dbraw/zinc/25/40/60/318254060.db2.gz LJKIKCJPLHOZKM-JKSUJKDBSA-N 2 0 317.477 2.622 20 0 DFADRP COC[C@H]([NH2+][C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)C(C)C ZINC000578637796 318274673 /nfs/dbraw/zinc/27/46/73/318274673.db2.gz ISNCIYCNNQUYBB-BQFCYCMXSA-N 2 0 304.434 2.503 20 0 DFADRP C[C@H]([NH2+][C@@H](c1ccc2c(c1)OCCO2)C1CC1)[C@@H]1CCC[NH2+]C1 ZINC000578638328 318274867 /nfs/dbraw/zinc/27/48/67/318274867.db2.gz VOSPCZCRCCISKN-URKNILKWSA-N 2 0 316.445 2.887 20 0 DFADRP Cn1ccnc1[C@@H]1CC[N@H+](CCCCC(=O)OC(C)(C)C)C1 ZINC000578663648 318277079 /nfs/dbraw/zinc/27/70/79/318277079.db2.gz GKQBQPPHDKRCTL-CQSZACIVSA-N 2 0 307.438 2.721 20 0 DFADRP C[C@@H](CNC(=O)Nc1ccc2c(c1)C[NH2+]C2)[N@@H+]1CCCC[C@@H]1C ZINC000578728036 318280773 /nfs/dbraw/zinc/28/07/73/318280773.db2.gz WSTVETUAIOCIJS-KBPBESRZSA-N 2 0 316.449 2.674 20 0 DFADRP CCS(=O)(=O)c1ccc([C@H](C)[NH2+][C@H](C)[C@@H]2CCC[NH2+]C2)cc1 ZINC000578978796 318299118 /nfs/dbraw/zinc/29/91/18/318299118.db2.gz GXBSFXNHZRFXHI-SQWLQELKSA-N 2 0 324.490 2.519 20 0 DFADRP COc1cc(C)ccc1[C@H](C)[NH2+]CCN1CC[N@H+](C)C(C)(C)C1 ZINC000579071375 318304301 /nfs/dbraw/zinc/30/43/01/318304301.db2.gz BDXPFQNJVONOGK-INIZCTEOSA-N 2 0 319.493 2.680 20 0 DFADRP CC(C)C[C@H]([NH3+])CN1CC[C@H]([N@H+](C)CCc2ccccc2)C1 ZINC000579377321 318327591 /nfs/dbraw/zinc/32/75/91/318327591.db2.gz MNOFNPBTEZYBBO-OALUTQOASA-N 2 0 303.494 2.609 20 0 DFADRP C[C@@H]1CC[C@H](C)[N@H+]1[C@H]1CCCN(C(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC000579610815 318343083 /nfs/dbraw/zinc/34/30/83/318343083.db2.gz LAYALSMSHMDOGD-BBWFWOEESA-N 2 0 321.509 2.582 20 0 DFADRP C[C@@H]1CC[C@H]([NH2+]CC2([NH3+])CCCCCC2)[C@@H](n2cncn2)C1 ZINC000579944620 318364890 /nfs/dbraw/zinc/36/48/90/318364890.db2.gz HXWPKXFEYQQXTQ-PMPSAXMXSA-N 2 0 305.470 2.649 20 0 DFADRP CCC[C@@H]1CCCC[C@@H]1[NH2+]CCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000580074033 318373667 /nfs/dbraw/zinc/37/36/67/318373667.db2.gz AKFOFURFTIGAJJ-ZACQAIPSSA-N 2 0 309.498 2.522 20 0 DFADRP CC[NH+]1CCN([C@H](C)C[NH2+][C@H]2CCCNc3ccccc32)CC1 ZINC000192670432 323245543 /nfs/dbraw/zinc/24/55/43/323245543.db2.gz KYHLFIXXCDAVOT-APWZRJJASA-N 2 0 316.493 2.549 20 0 DFADRP C[C@@H]1C[C@H](N[C@H]2CCC[C@H]([NH3+])C2)CC[N@@H+]1Cc1ccccc1 ZINC000379616893 323289226 /nfs/dbraw/zinc/28/92/26/323289226.db2.gz DFFIXQBPQJBNDN-XGXHKWSGSA-N 2 0 301.478 2.899 20 0 DFADRP C[C@@H](NC(=O)OC(C)(C)C)[C@H](C)[NH2+][C@H]1C[C@@H](C)[N@H+](C)C[C@H]1C ZINC000381524085 323295016 /nfs/dbraw/zinc/29/50/16/323295016.db2.gz YJABHOOPXKAIBL-QMIVOQANSA-N 2 0 313.486 2.606 20 0 DFADRP C[C@H](NC[C@@H]1CCC[N@H+](C)C1)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000381753643 323295847 /nfs/dbraw/zinc/29/58/47/323295847.db2.gz CMKBTOMMRCJRCF-YSIASYRMSA-N 2 0 315.505 2.828 20 0 DFADRP C[C@@H](NCCC[NH2+]C1CC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000382605853 323301319 /nfs/dbraw/zinc/30/13/19/323301319.db2.gz WUETYESUQZQOEB-AEFFLSMTSA-N 2 0 301.478 2.629 20 0 DFADRP C[C@@H]1CCN(CC[NH2+]C(C)(C)C)CC[N@@H+]1Cc1ccccc1 ZINC000382735029 323302354 /nfs/dbraw/zinc/30/23/54/323302354.db2.gz GWRFPXPVGILFCY-QGZVFWFLSA-N 2 0 303.494 2.971 20 0 DFADRP C[C@@H]1CN(Cc2ccccc2)CC[N@@H+]1CC[C@@H]1CCC[NH2+]C1 ZINC000382767250 323302766 /nfs/dbraw/zinc/30/27/66/323302766.db2.gz WUAKCCQSVFFONR-MSOLQXFVSA-N 2 0 301.478 2.582 20 0 DFADRP Clc1cc2c(c(C[N@H+]3CC[C@H]4C[NH2+]C[C@H]4CC3)c1)OCC2 ZINC000386831648 323321058 /nfs/dbraw/zinc/32/10/58/323321058.db2.gz RSVWGQIHWJYXIX-OKILXGFUSA-N 2 0 306.837 2.706 20 0 DFADRP C[N@H+](Cc1ccccc1)C1(CN[C@H]2CCC[C@H]2C[NH3+])CCC1 ZINC000386803420 323321258 /nfs/dbraw/zinc/32/12/58/323321258.db2.gz CDKXCSZHZLKKOE-ROUUACIJSA-N 2 0 301.478 2.758 20 0 DFADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1Nc1cccc(OCC[NH+](C)C)c1 ZINC000387312453 323323718 /nfs/dbraw/zinc/32/37/18/323323718.db2.gz OJZMSXBRENSXGO-VKJFTORMSA-N 2 0 305.466 2.768 20 0 DFADRP C[C@@H]1C[C@H](C[N@H+](C)[C@H]2CCCN(Cc3ccccc3)C2)CC[NH2+]1 ZINC000388333186 323330278 /nfs/dbraw/zinc/33/02/78/323330278.db2.gz KTJZJFMMHZFNNB-RLLQIKCJSA-N 2 0 315.505 2.971 20 0 DFADRP COc1cc2c(cc1C[NH2+]CC1(C)CC[NH+](C)CC1)O[C@H](C)C2 ZINC000391949640 323347429 /nfs/dbraw/zinc/34/74/29/323347429.db2.gz YOPGVCICIDUOAS-CQSZACIVSA-N 2 0 318.461 2.840 20 0 DFADRP C[N@H+](CCNC(=O)Nc1ccc2c(c1)C[NH2+]C2)C1CCCCC1 ZINC000580419020 323382922 /nfs/dbraw/zinc/38/29/22/323382922.db2.gz OUTRCXKTINLXBW-UHFFFAOYSA-N 2 0 316.449 2.676 20 0 DFADRP CC[NH+](CC)CCO[C@H]1CC[N@H+](Cc2ccc3c(n2)CCC3)C1 ZINC000580524771 323396020 /nfs/dbraw/zinc/39/60/20/323396020.db2.gz LOLJFWPJELVYGF-SFHVURJKSA-N 2 0 317.477 2.503 20 0 DFADRP O[C@@H](C[NH2+]Cc1cccc(C[NH+]2CCCC2)c1)CC(F)(F)F ZINC000580642408 323414385 /nfs/dbraw/zinc/41/43/85/323414385.db2.gz VVHYZPRLDUFVHS-OAHLLOKOSA-N 2 0 316.367 2.685 20 0 DFADRP C[C@H]([NH2+]Cc1ccc(C[NH3+])cc1)c1ccc2c(c1)CCC(=O)N2 ZINC000581825091 323574770 /nfs/dbraw/zinc/57/47/70/323574770.db2.gz YTHCTCFRDNUZOV-ZDUSSCGKSA-N 2 0 309.413 2.881 20 0 DFADRP CC[NH+]1CCN(c2ccc(C[NH2+][C@@H]3CCCC34CC4)cn2)CC1 ZINC000581835946 323576669 /nfs/dbraw/zinc/57/66/69/323576669.db2.gz NYFUDOUGPPRAAT-QGZVFWFLSA-N 2 0 314.477 2.646 20 0 DFADRP C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)CC[C@H]([NH3+])c1ccccc1 ZINC000582481326 323679685 /nfs/dbraw/zinc/67/96/85/323679685.db2.gz ROOGETIIULKGEM-QAPCUYQASA-N 2 0 317.477 2.655 20 0 DFADRP Cc1cccc(NC(=O)C[C@@H](C)[NH2+]Cc2ccc(C[NH3+])cc2)c1 ZINC000583145270 323804015 /nfs/dbraw/zinc/80/40/15/323804015.db2.gz FWHRIZXXFAYNHD-OAHLLOKOSA-N 2 0 311.429 2.961 20 0 DFADRP C[C@H]([NH2+]Cc1ccc(N2CCC(C)CC2)nc1)[C@H]1CCC[NH2+]C1 ZINC000584279227 332204631 /nfs/dbraw/zinc/20/46/31/332204631.db2.gz BWCQFTNAPAONDT-WMZOPIPTSA-N 2 0 316.493 2.796 20 0 DFADRP C[C@@H](Cc1ccccc1)[NH+]1CCC([NH2+]CC2CC[NH2+]CC2)CC1 ZINC000584285530 332212864 /nfs/dbraw/zinc/21/28/64/332212864.db2.gz BBUMQSQBPDOFFB-KRWDZBQOSA-N 3 0 315.505 2.671 20 0 DFADRP Cc1ncc(C[NH2+]CC2CC[NH+](Cc3cccs3)CC2)n1C ZINC000584302749 332230992 /nfs/dbraw/zinc/23/09/92/332230992.db2.gz MTBKXWKUXBGSRA-UHFFFAOYSA-N 3 0 318.490 2.792 20 0 DFADRP C[C@@H]1C[N@@H+]([C@H](Cc2ccccn2)c2cccnc2)C[C@@]1(C)C[NH3+] ZINC000584464015 337343504 /nfs/dbraw/zinc/34/35/04/337343504.db2.gz IOJVIXKLJHOHAS-ATZDWAIDSA-N 2 0 310.445 2.677 20 0 DFADRP CN(C)CC[NH+]1CCC(C[NH2+]Cc2ccc3[nH]ccc3c2)CC1 ZINC000584508039 337352504 /nfs/dbraw/zinc/35/25/04/337352504.db2.gz NMKSPRHSZSVMFM-UHFFFAOYSA-N 2 0 314.477 2.531 20 0 DFADRP Cc1ccc(C[NH+](C)C)cc1NC(=O)[C@H]1C[NH2+]Cc2ccccc21 ZINC000584532257 337357214 /nfs/dbraw/zinc/35/72/14/337357214.db2.gz FKUZEPRILQWUDE-SFHVURJKSA-N 2 0 323.440 2.882 20 0 DFADRP C[C@H]([NH2+]CC1CC[NH+](C)CC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000309794245 533838144 /nfs/dbraw/zinc/83/81/44/533838144.db2.gz POMUQQPIPJLNTM-FXAWDEMLSA-N 3 0 315.505 2.828 20 0 DFADRP C[C@H]([NH2+]CCC(C)(C)CO)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000294736425 533840693 /nfs/dbraw/zinc/84/06/93/533840693.db2.gz GTAZPDPNQLCMIB-WMZOPIPTSA-N 2 0 304.478 2.895 20 0 DFADRP COc1cccc2c1CC[C@@H]([NH2+]Cc1ccc3c[nH+]cn3c1)C2 ZINC000297473460 533861554 /nfs/dbraw/zinc/86/15/54/533861554.db2.gz JBUKXRHODMGLBF-MRXNPFEDSA-N 2 0 307.397 2.990 20 0 DFADRP C[C@@H](C[NH2+]CCCC[NH+]1CCOCC1)c1cc(F)cc(F)c1 ZINC000296580678 534056674 /nfs/dbraw/zinc/05/66/74/534056674.db2.gz WWMQTKFLEXUPLQ-AWEZNQCLSA-N 2 0 312.404 2.770 20 0 DFADRP Cc1ccc(-c2n[nH]cc2C[NH2+]CC2(C)CC[NH+](C)CC2)o1 ZINC000319126084 534201189 /nfs/dbraw/zinc/20/11/89/534201189.db2.gz RDKMRXUIAQRJAA-UHFFFAOYSA-N 2 0 302.422 2.800 20 0 DFADRP C[C@H](NC(=O)C(C)(C)[C@@H]([NH3+])c1ccccc1)C(C)(C)C[NH+](C)C ZINC000423446575 518182803 /nfs/dbraw/zinc/18/28/03/518182803.db2.gz SQMPREFWZIIZNO-HOCLYGCPSA-N 2 0 319.493 2.805 20 0 DFADRP CC(C)[C@H](C[NH2+][C@@H]1c2ccccc2C[C@@H]1C)N1CC[NH+](C)CC1 ZINC000132460456 519816101 /nfs/dbraw/zinc/81/61/01/519816101.db2.gz YAIMJQAUCKBMBX-VDGAXYAQSA-N 2 0 315.505 2.782 20 0 DFADRP CCOC(=O)CCC[N@H+](C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000364995186 520637745 /nfs/dbraw/zinc/63/77/45/520637745.db2.gz NYCPKLCYYCPJLV-UHFFFAOYSA-N 2 0 319.449 2.573 20 0 DFADRP CCCC[C@H]([NH3+])C(=O)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000154559455 521203662 /nfs/dbraw/zinc/20/36/62/521203662.db2.gz WDFJOKQCQRVAPO-IRXDYDNUSA-N 2 0 309.498 2.619 20 0 DFADRP CCC[NH+](CCC)CCCC(=O)N1CC[C@@]2(CCC[C@@H]2[NH3+])C1 ZINC000364180849 521643644 /nfs/dbraw/zinc/64/36/44/521643644.db2.gz COMYCTKNYQASJG-WMZOPIPTSA-N 2 0 309.498 2.619 20 0 DFADRP CCOC1CC(CC[NH2+][C@@H]2CC[N@H+](C[C@@H]3CCCO3)C[C@@H]2C)C1 ZINC000364841806 521645867 /nfs/dbraw/zinc/64/58/67/521645867.db2.gz BTEFNBUXEVBABA-RXWCUZMYSA-N 2 0 324.509 2.671 20 0 DFADRP CCNC(=O)C1(C[NH2+]C2CC[NH+](C3CCCCC3)CC2)CCC1 ZINC000368467040 521733440 /nfs/dbraw/zinc/73/34/40/521733440.db2.gz UMZQGDLKRUKNDQ-UHFFFAOYSA-N 2 0 321.509 2.680 20 0 DFADRP C[NH+](C)CC[C@H](NC(=O)c1cccc(C[NH+](C)C)c1)C(C)(C)C ZINC000156560758 521810674 /nfs/dbraw/zinc/81/06/74/521810674.db2.gz JLLWCCSCTGQAGL-KRWDZBQOSA-N 2 0 319.493 2.844 20 0 DFADRP C[NH+](C)CCc1ccc(NC(=O)C[C@H]2CCC[NH2+]CC2)cc1 ZINC000364115094 521815105 /nfs/dbraw/zinc/81/51/05/521815105.db2.gz HKVKOKUJRYDAIN-INIZCTEOSA-N 2 0 303.450 2.509 20 0 DFADRP C[N@H+](C[C@H]1CC12CC[NH+](Cc1ccc(F)cn1)CC2)C1CC1 ZINC000365003741 523102705 /nfs/dbraw/zinc/10/27/05/523102705.db2.gz RIODTGPZTDAGTD-CQSZACIVSA-N 2 0 303.425 2.917 20 0 DFADRP C[N@@H+]1CCC[C@H]1CC[NH+]1CCC(C(=O)NC2CCCCC2)CC1 ZINC000366352796 523848583 /nfs/dbraw/zinc/84/85/83/523848583.db2.gz GAILRDMKFTUKFN-SFHVURJKSA-N 2 0 321.509 2.632 20 0 DFADRP C[N@@H+]1CC[C@H](CNC(=O)CC(C)(C)[NH3+])[C@@H]1c1cccc(Cl)c1 ZINC000366324708 523978977 /nfs/dbraw/zinc/97/89/77/523978977.db2.gz BAUJMTUHVAAOFL-CJNGLKHVSA-N 2 0 323.868 2.576 20 0 DFADRP [NH3+]Cc1ccc(C(=O)N[C@@H]2CCC[N@@H+](C3CCCCC3)C2)cc1 ZINC000366346715 527251644 /nfs/dbraw/zinc/25/16/44/527251644.db2.gz LVLNQWWYABSQSV-QGZVFWFLSA-N 2 0 315.461 2.672 20 0 DFADRP CC(C)[C@H](O)C[NH2+]C1[C@@H](C)C[NH+](Cc2ccccc2)C[C@@H]1C ZINC000292873582 527740667 /nfs/dbraw/zinc/74/06/67/527740667.db2.gz HVRIRYUBDXQWGB-XYJFISCASA-N 2 0 304.478 2.750 20 0 DFADRP CC[N@@H+]1CC[C@H](N[C@@H]2CC[C@@H]3C[NH+](Cc4ccccc4)C[C@@H]23)C1 ZINC000328297750 527885417 /nfs/dbraw/zinc/88/54/17/527885417.db2.gz WQVCEHPNWLUWGJ-IYWMVGAKSA-N 2 0 313.489 2.581 20 0 DFADRP CCN(CCC[NH+](CC)CC)C(=O)C[C@@H]([NH3+])c1ccccc1 ZINC000319157356 528102539 /nfs/dbraw/zinc/10/25/39/528102539.db2.gz HMGPBHZHFVKBAI-QGZVFWFLSA-N 2 0 305.466 2.657 20 0 DFADRP CC[NH+](CC)Cc1cccc(NC(=O)[C@@H]2CCCCC[NH2+]2)c1 ZINC000315710225 528196819 /nfs/dbraw/zinc/19/68/19/528196819.db2.gz UBEZPZCEVIHYGV-KRWDZBQOSA-N 2 0 303.450 2.999 20 0 DFADRP CCCC[NH+]1CCC([NH2+][C@@H]2COc3ccc(OC)cc3C2)CC1 ZINC000297588822 528461897 /nfs/dbraw/zinc/46/18/97/528461897.db2.gz HNIMPIFVQXQNOL-KRWDZBQOSA-N 2 0 318.461 2.853 20 0 DFADRP CCC[NH2+][C@@H](C)C(=O)NCc1cccc(C[NH+](CC)CC)c1 ZINC000296589279 528542018 /nfs/dbraw/zinc/54/20/18/528542018.db2.gz XKVACPRSENSGSH-HNNXBMFYSA-N 2 0 305.466 2.533 20 0 DFADRP CC(C)[C@@H](O)C[NH2+][C@H]1[C@H](C)C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000292873577 528635603 /nfs/dbraw/zinc/63/56/03/528635603.db2.gz HVRIRYUBDXQWGB-OGWHTMIXSA-N 2 0 304.478 2.750 20 0 DFADRP CCCOc1cccc(C[NH+]2CCC(OCCC[NH3+])CC2)c1 ZINC000316364650 528752530 /nfs/dbraw/zinc/75/25/30/528752530.db2.gz AOZCRXHETJIVAV-UHFFFAOYSA-N 2 0 306.450 2.805 20 0 DFADRP CCCC[C@H]([NH3+])C(=O)N[C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000309749463 528969069 /nfs/dbraw/zinc/96/90/69/528969069.db2.gz YZHMLDBARHFWCA-JQHSSLGASA-N 2 0 317.477 2.531 20 0 DFADRP CC(C)[C@H](C[NH2+]Cc1ccsc1Cl)N1CC[NH+](C)CC1 ZINC000312688301 529012071 /nfs/dbraw/zinc/01/20/71/529012071.db2.gz VLWRGMMIMHMDPF-AWEZNQCLSA-N 2 0 315.914 2.763 20 0 DFADRP CCC(CC)(C[NH3+])C(=O)NCC(C)(C)[NH2+][C@H](C)c1ccccc1 ZINC000261783905 534931319 /nfs/dbraw/zinc/93/13/19/534931319.db2.gz KGNCEUNHXJZBAO-OAHLLOKOSA-N 2 0 319.493 2.997 20 0 DFADRP CCC[NH+]1CCN(c2ccccc2C[N@H+](C)CCOCC)CC1 ZINC000354753363 534934153 /nfs/dbraw/zinc/93/41/53/534934153.db2.gz WBEJPLORQQOTNO-UHFFFAOYSA-N 2 0 319.493 2.687 20 0 DFADRP CC(C)(C[NH2+]C1CCN(c2nccs2)CC1)C[NH+]1CCCC1 ZINC000361442618 535146245 /nfs/dbraw/zinc/14/62/45/535146245.db2.gz KDAALOFYYPWJPU-UHFFFAOYSA-N 2 0 322.522 2.824 20 0 DFADRP CCC[NH+](CCC)CCCC(=O)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000361581701 535324067 /nfs/dbraw/zinc/32/40/67/535324067.db2.gz KBEUQWQTRNXSKH-SJORKVTESA-N 2 0 309.498 2.632 20 0 DFADRP CC[NH2+]CC1CC[NH+](CCC(=O)Nc2cccc(Cl)c2)CC1 ZINC000262327292 535457784 /nfs/dbraw/zinc/45/77/84/535457784.db2.gz RYPUDDCIALAAKS-UHFFFAOYSA-N 2 0 323.868 2.990 20 0 DFADRP CC[NH+](CC)CCN(Cc1ccccc1)C(=O)C[N@H+](C)C(C)C ZINC000354532694 535528344 /nfs/dbraw/zinc/52/83/44/535528344.db2.gz KNTMNSLAGNCXBB-UHFFFAOYSA-N 2 0 319.493 2.697 20 0 DFADRP CC[C@@H](C)[N@H+](C)CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000170915558 535548283 /nfs/dbraw/zinc/54/82/83/535548283.db2.gz PMPULUNCFLUGQH-MRXNPFEDSA-N 2 0 317.477 2.629 20 0 DFADRP CC[C@@H](C)[C@@H]([NH3+])C(=O)N1CCc2c1cccc2C[NH+]1CCCC1 ZINC000361710357 535654540 /nfs/dbraw/zinc/65/45/40/535654540.db2.gz IOMWJEKTQSGNFC-RDTXWAMCSA-N 2 0 315.461 2.545 20 0 DFADRP CCOc1cc2c(cc1C[NH2+]C1CCC([NH3+])CC1)O[C@@H](C)C2 ZINC000261982510 535689745 /nfs/dbraw/zinc/68/97/45/535689745.db2.gz RQRAUXIIQMMOTJ-JQRITLKVSA-N 2 0 304.434 2.768 20 0 DFADRP COc1cc(C[N@@H+]2CC[C@H](CNc3cccc(C)[nH+]3)C2)ccn1 ZINC000362724668 536767948 /nfs/dbraw/zinc/76/79/48/536767948.db2.gz KUVHOLKMVWIUPX-MRXNPFEDSA-N 2 0 312.417 2.728 20 0 DFADRP CC[NH+](CC)CCOCC[NH2+][C@@H]1CCc2c1cc(F)cc2F ZINC000680469527 545500081 /nfs/dbraw/zinc/50/00/81/545500081.db2.gz QACZQJLQGLXBSY-QGZVFWFLSA-N 2 0 312.404 2.900 20 0 DFADRP CCC[NH+]1CCC([NH2+]CCc2cccc(OC)c2OC)CC1 ZINC000680874604 545555969 /nfs/dbraw/zinc/55/59/69/545555969.db2.gz CPLPGIWXNZLZPW-UHFFFAOYSA-N 2 0 306.450 2.710 20 0 DFADRP CC[C@@H]1CN(C(=O)C(C)C)CC[C@H]1[NH2+]CC[C@H]1CCCC[N@@H+]1C ZINC000681451756 545641936 /nfs/dbraw/zinc/64/19/36/545641936.db2.gz ZXDZJOHAGMYCEX-KZNAEPCWSA-N 2 0 323.525 2.734 20 0 DFADRP OCC[C@@H]1CCC[N@@H+]1Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000681753570 545716635 /nfs/dbraw/zinc/71/66/35/545716635.db2.gz HQFKTRPGXPOESP-SFHVURJKSA-N 2 0 318.461 2.508 20 0 DFADRP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)[C@@H]2CCc3ccccc32)CC1 ZINC000682073653 545788658 /nfs/dbraw/zinc/78/86/58/545788658.db2.gz VRAHBIDAEGEJBS-DNVCBOLYSA-N 2 0 302.462 2.699 20 0 DFADRP CC[NH+](CC)Cc1ccc(C(=O)N(C)CC2([NH+](C)C)CCC2)o1 ZINC000682114182 545800946 /nfs/dbraw/zinc/80/09/46/545800946.db2.gz DMILBRZHPGTGSC-UHFFFAOYSA-N 2 0 321.465 2.678 20 0 DFADRP Cc1ccc(C[N@@H+](C)Cc2ccc(OCC[NH+](C)C)cc2)nc1 ZINC000682788381 545916396 /nfs/dbraw/zinc/91/63/96/545916396.db2.gz WIYHZDXVAIGZNS-UHFFFAOYSA-N 2 0 313.445 2.962 20 0 DFADRP CC(C)C1CC([NH2+][C@H](CN2CC[NH+](C)CC2)c2ccccc2)C1 ZINC000683107513 545973043 /nfs/dbraw/zinc/97/30/43/545973043.db2.gz MKNCMHGWQVKNPV-SOAGJPPSSA-N 2 0 315.505 2.999 20 0 DFADRP C[C@@H]1CC[N@H+](Cc2ccc(OCC[NH+](C)C)cc2)CCS1 ZINC000683164603 545982736 /nfs/dbraw/zinc/98/27/36/545982736.db2.gz LMGUFTQFCCKDGF-OAHLLOKOSA-N 2 0 308.491 2.954 20 0 DFADRP Cc1cn2c(C[NH2+]CC3CC[NH+](C4CC4)CC3)c(C)nc2s1 ZINC000683707213 546080077 /nfs/dbraw/zinc/08/00/77/546080077.db2.gz ZARIGQIUTGACOG-UHFFFAOYSA-N 2 0 318.490 2.977 20 0 DFADRP CCO[C@@H](CC[NH+](C)C)C[NH2+]Cc1ccc2cnccc2c1 ZINC000683772362 546092443 /nfs/dbraw/zinc/09/24/43/546092443.db2.gz PDCKPFOOUABKHP-SFHVURJKSA-N 2 0 301.434 2.681 20 0 DFADRP CC(C)[C@H](C[NH2+]Cc1cc2ccccc2[nH]1)N1CC[NH+](C)CC1 ZINC000683928285 546121655 /nfs/dbraw/zinc/12/16/55/546121655.db2.gz ZLQHVOOXGVORIU-IBGZPJMESA-N 2 0 314.477 2.530 20 0 DFADRP Cn1nccc1[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)C1 ZINC000684112696 546153496 /nfs/dbraw/zinc/15/34/96/546153496.db2.gz XQIYPHKOZVVPLW-YYIAUSFCSA-N 2 0 302.466 2.663 20 0 DFADRP CO[C@H]1CCC[C@H]([NH2+]CCc2ccc(OCC[NH+](C)C)cc2)C1 ZINC000684375708 546204277 /nfs/dbraw/zinc/20/42/77/546204277.db2.gz AEBVRJODSGRCAZ-HKUYNNGSSA-N 2 0 320.477 2.717 20 0 DFADRP C[C@H]1C[N@H+](Cc2ccc(OCC[NH+](C)C)cc2)C[C@@H](C2CC2)O1 ZINC000684411140 546211816 /nfs/dbraw/zinc/21/18/16/546211816.db2.gz AQEBCJPTIABBDS-KXBFYZLASA-N 2 0 318.461 2.626 20 0 DFADRP C[C@@H]1C[N@@H+](CCCC[NH2+][C@@H]2CCCc3cccnc32)C[C@H](C)O1 ZINC000684955324 546308082 /nfs/dbraw/zinc/30/80/82/546308082.db2.gz LCEOIKFROMBFFK-SOLBZPMBSA-N 2 0 317.477 2.938 20 0 DFADRP C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C[C@@H]2CCOc3ccccc32)C1 ZINC000685471117 546357821 /nfs/dbraw/zinc/35/78/21/546357821.db2.gz NCIFZMROXMLMNM-LZLYRXPVSA-N 2 0 300.446 2.969 20 0 DFADRP C1COC[C@H]([NH+]2CCC[C@@]3(CCC[N@@H+]([C@H]4CCCOC4)C3)C2)C1 ZINC000685593190 546373297 /nfs/dbraw/zinc/37/32/97/546373297.db2.gz LFGNJWCOVDPQHT-CEXWTWQISA-N 2 0 322.493 2.522 20 0 DFADRP C[C@H]([NH2+][C@@H]1CCOC[C@H]1C)c1cccc(OCC[NH+](C)C)c1 ZINC000278438153 214153154 /nfs/dbraw/zinc/15/31/54/214153154.db2.gz HJFHBUHGWARHAN-RVKKMQEKSA-N 2 0 306.450 2.703 20 0 DFADRP C[C@@H]([NH2+]CC1CC[NH+](C2CC2)CC1)c1ccc([S@](C)=O)cc1 ZINC000278495243 214190734 /nfs/dbraw/zinc/19/07/34/214190734.db2.gz PYLVNPQLPJXZIM-PEBXRYMYSA-N 2 0 320.502 2.949 20 0 DFADRP CCC[NH+]1CCN(c2cc[nH+]c3cc(OC)c(OC)cc32)CC1 ZINC000413026417 295669201 /nfs/dbraw/zinc/66/92/01/295669201.db2.gz UUMLNCYHFMANLF-UHFFFAOYSA-N 2 0 315.417 2.784 20 0 DFADRP CCOc1ccc(C[NH2+]C[C@@H](CC[NH+](C)C)OCC)cc1F ZINC000278571909 214245796 /nfs/dbraw/zinc/24/57/96/214245796.db2.gz XMQJZCWFYQGZSP-OAHLLOKOSA-N 2 0 312.429 2.671 20 0 DFADRP CCOc1ccc(C[NH2+]CCCC[N@@H+]2CCC[C@H]2CO)cc1F ZINC000278575567 214248137 /nfs/dbraw/zinc/24/81/37/214248137.db2.gz XYFDAKLEINNCSN-INIZCTEOSA-N 2 0 324.440 2.551 20 0 DFADRP CCCCCNC(=O)[C@H](C)[N@@H+]1CCC[C@H](n2ccnc2C)C1 ZINC000591906977 398349385 /nfs/dbraw/zinc/34/93/85/398349385.db2.gz WUWIEXJWQWUUEW-HOCLYGCPSA-N 2 0 306.454 2.523 20 0 DFADRP CCc1c(C)[nH+]c2ccccc2c1NC[C@@](C)(O)C[NH+](C)C ZINC000302060954 529491667 /nfs/dbraw/zinc/49/16/67/529491667.db2.gz SBAFQSBFAQFDQG-GOSISDBHSA-N 2 0 301.434 2.830 20 0 DFADRP CCOc1cccc(C[NH2+]C[C@@H]2CCCN2C)c1OC(F)F ZINC000236939405 398365846 /nfs/dbraw/zinc/36/58/46/398365846.db2.gz BVCWQFNLDKWAHS-ZDUSSCGKSA-N 2 0 314.376 2.871 20 0 DFADRP C[NH+](C)[C@@H]1CCC[C@H]([NH2+]C2CCN(CCC(F)(F)F)CC2)C1 ZINC000356872834 282194346 /nfs/dbraw/zinc/19/43/46/282194346.db2.gz PHSUAROHTOQYBS-LSDHHAIUSA-N 2 0 321.431 2.866 20 0 DFADRP C[C@H]1CCC[N@H+](Cc2ccc(NC(=O)C[NH2+]C3CC3)cc2)C1 ZINC000237675752 398372634 /nfs/dbraw/zinc/37/26/34/398372634.db2.gz RWWHWXGGDQHONK-AWEZNQCLSA-N 2 0 301.434 2.609 20 0 DFADRP [NH3+][C@@H](CCC(=O)N1CC[NH+](C2CCCC2)CC1)c1ccccc1 ZINC000237925737 398375794 /nfs/dbraw/zinc/37/57/94/398375794.db2.gz VAZSJSMJXFWJGT-SFHVURJKSA-N 2 0 315.461 2.553 20 0 DFADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]CCc1nc2cc(F)ccc2n1C ZINC000090044111 185279610 /nfs/dbraw/zinc/27/96/10/185279610.db2.gz UQBVXXCGUDTLJH-UMVBOHGHSA-N 2 0 318.440 2.573 20 0 DFADRP CCC[C@@H](C)[NH2+]Cc1ccc(C(=O)NCC[NH+]2CCCC2)cc1 ZINC000090028352 185278751 /nfs/dbraw/zinc/27/87/51/185278751.db2.gz WWICYPMTMBTJCJ-MRXNPFEDSA-N 2 0 317.477 2.790 20 0 DFADRP COC[C@H](Cc1ccccc1)[NH2+]C1CCC(C[NH+](C)C)CC1 ZINC000090707225 185311051 /nfs/dbraw/zinc/31/10/51/185311051.db2.gz ICGGKVBENYBMHA-ACBHZAAOSA-N 2 0 304.478 2.954 20 0 DFADRP CC1CC[NH+](CCCC[NH2+]Cc2cnc(C3CC3)nc2)CC1 ZINC000459378309 299091578 /nfs/dbraw/zinc/09/15/78/299091578.db2.gz QPXKYDDKYBDUEJ-UHFFFAOYSA-N 2 0 302.466 2.956 20 0 DFADRP CN(C)[C@H](C[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1)c1ccccc1 ZINC000262364156 282248863 /nfs/dbraw/zinc/24/88/63/282248863.db2.gz WRUDCBOIKNMEMT-INDMIFKZSA-N 2 0 301.478 2.800 20 0 DFADRP C[C@@H]1C[N@@H+](CCCC[NH2+]Cc2cccc3c[nH]nc32)C[C@H](C)O1 ZINC000084018223 398391973 /nfs/dbraw/zinc/39/19/73/398391973.db2.gz DOKDOSSPWWDSFO-GASCZTMLSA-N 2 0 316.449 2.542 20 0 DFADRP CC1CC[NH+](C[C@@H](O)C[NH2+]C2CC(C)(c3ccccc3)C2)CC1 ZINC000459396561 299095872 /nfs/dbraw/zinc/09/58/72/299095872.db2.gz FQSKXTQLEFGFGD-GPJFCIFZSA-N 2 0 316.489 2.789 20 0 DFADRP Cc1ccc(O)c(C[N@@H+]2CC[C@H](CNc3cccc(C)[nH+]3)C2)n1 ZINC000092813084 185343213 /nfs/dbraw/zinc/34/32/13/185343213.db2.gz PQVLYDGFGVDPNQ-OAHLLOKOSA-N 2 0 312.417 2.733 20 0 DFADRP CC1CC[NH+](C[C@H](O)C[NH2+]C2CC(C)(c3ccccc3)C2)CC1 ZINC000459396563 299096227 /nfs/dbraw/zinc/09/62/27/299096227.db2.gz FQSKXTQLEFGFGD-IOJLRTSASA-N 2 0 316.489 2.789 20 0 DFADRP Cc1nc(C[NH2+]C2CCN(c3cc[nH+]cc3)CC2)sc1C ZINC000459419622 299101555 /nfs/dbraw/zinc/10/15/55/299101555.db2.gz JWXJLAPZTXGOAU-UHFFFAOYSA-N 2 0 302.447 2.914 20 0 DFADRP CSC1(C[NH2+][C@H](C)c2cc3n(n2)CCCC3)CC[NH+](C)CC1 ZINC000592389949 398420516 /nfs/dbraw/zinc/42/05/16/398420516.db2.gz BFVHPJDYOZGGAP-CQSZACIVSA-N 2 0 322.522 2.697 20 0 DFADRP COc1cc([C@@H](C)[NH2+]CC2CC[NH2+]CC2)ccc1OC(F)F ZINC000584834088 398418283 /nfs/dbraw/zinc/41/82/83/398418283.db2.gz VUGWYLXSNCOGCL-LLVKDONJSA-N 2 0 314.376 2.947 20 0 DFADRP COC(=O)c1cc(C[N@@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)oc1C ZINC000592433598 398425421 /nfs/dbraw/zinc/42/54/21/398425421.db2.gz LIQAUTJDVSTCGJ-HUUCEWRRSA-N 2 0 320.433 2.586 20 0 DFADRP COC(=O)CC[C@H]([NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1)c1ccccc1 ZINC000592469468 398430413 /nfs/dbraw/zinc/43/04/13/398430413.db2.gz QZZALPWBBZHWMN-FJIDUMEYSA-N 2 0 316.445 2.659 20 0 DFADRP CC[NH+](CC)[C@@H](C(=O)N[C@H](C)CC[NH+](C)C)c1ccccc1 ZINC000067483182 398437331 /nfs/dbraw/zinc/43/73/31/398437331.db2.gz DTIBZXWLBYGQCE-NVXWUHKLSA-N 2 0 305.466 2.526 20 0 DFADRP C[NH2+]C[C@@H]1CCC[N@H+](CCCc2nc(-c3cccs3)no2)C1 ZINC000316578098 529988265 /nfs/dbraw/zinc/98/82/65/529988265.db2.gz DVJBMYMWOMOLHM-ZDUSSCGKSA-N 2 0 320.462 2.662 20 0 DFADRP C[NH+]1CCC(C)(C[NH2+]Cc2cccc3c2OCCCO3)CC1 ZINC000319057708 530048481 /nfs/dbraw/zinc/04/84/81/530048481.db2.gz KZKUYYOSNLRASH-UHFFFAOYSA-N 2 0 304.434 2.669 20 0 DFADRP C[N@@H+]1CCCC[C@H]1CC[NH+]1CCC(CO)(c2ccccc2)CC1 ZINC000292951966 530052958 /nfs/dbraw/zinc/05/29/58/530052958.db2.gz AQPVHLQGIIIXHU-IBGZPJMESA-N 2 0 316.489 2.887 20 0 DFADRP C[N@@H+]1CCC[C@@]2(CC[NH+](C[C@H](O)Cc3cccc(Cl)c3)C2)C1 ZINC000293043503 530059950 /nfs/dbraw/zinc/05/99/50/530059950.db2.gz SOTMEHQCTUPZNR-QZTJIDSGSA-N 2 0 322.880 2.661 20 0 DFADRP CC[N@H+]1C[C@@H](C)N(Cc2cncn2Cc2ccccc2)[C@@H](C)C1 ZINC000459465209 299112725 /nfs/dbraw/zinc/11/27/25/299112725.db2.gz PNRGEHFWMRYMGX-CALCHBBNSA-N 2 0 312.461 2.846 20 0 DFADRP CN(C)CC[NH+]1CCC(C[NH2+]Cc2ccc3occc3c2)CC1 ZINC000286750578 219146226 /nfs/dbraw/zinc/14/62/26/219146226.db2.gz YSVDAFRIPWBHNR-UHFFFAOYSA-N 2 0 315.461 2.796 20 0 DFADRP CCO[C@@H]1C[C@H]([NH2+]CC2(C[NH+](C)C)CCCC2)[C@@H]1SC ZINC000459476267 299116144 /nfs/dbraw/zinc/11/61/44/299116144.db2.gz HKJYQMOWUPRFLG-ZNMIVQPWSA-N 2 0 300.512 2.607 20 0 DFADRP Cc1cc(C[NH2+]C[C@@H](C(C)C)N2CC[NH+](C)CC2)c(C)s1 ZINC000049687043 282391126 /nfs/dbraw/zinc/39/11/26/282391126.db2.gz DTPBZICKAVVEFH-KRWDZBQOSA-N 2 0 309.523 2.727 20 0 DFADRP CCCN(CC[NH2+][C@@H]1CC[N@H+](C)C[C@@H]1C)C(=O)OC(C)(C)C ZINC000090811798 398492771 /nfs/dbraw/zinc/49/27/71/398492771.db2.gz WFLKPCIRMMRURK-LSDHHAIUSA-N 2 0 313.486 2.563 20 0 DFADRP C[NH+](C)Cc1ccc(CN[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1F ZINC000090919625 398497162 /nfs/dbraw/zinc/49/71/62/398497162.db2.gz MFCQEIDEISMXCV-IAGOWNOFSA-N 2 0 305.441 2.604 20 0 DFADRP C[N@@H+]1CCN(CC[NH2+]Cc2ccc(C3CC3)cc2)CC1(C)C ZINC000459529438 299126939 /nfs/dbraw/zinc/12/69/39/299126939.db2.gz LZHKBCLLVQSTGT-UHFFFAOYSA-N 2 0 301.478 2.680 20 0 DFADRP C[C@@]1(C[NH2+]C2CCN(c3cc[nH+]cc3)CC2)CCO[C@@H]1C1CC1 ZINC000459540941 299129228 /nfs/dbraw/zinc/12/92/28/299129228.db2.gz VSKJDHLSTZBGBS-MOPGFXCFSA-N 2 0 315.461 2.845 20 0 DFADRP CC[C@H](CCO)C[NH2+][C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272672862 210077662 /nfs/dbraw/zinc/07/76/62/210077662.db2.gz QCCPTAHFAUVMTJ-SCTDSRPQSA-N 2 0 304.478 2.895 20 0 DFADRP CC[NH+](CC)[C@@H](CNC(=O)CC[NH2+]C(C)C)c1ccccc1 ZINC000314556000 398520165 /nfs/dbraw/zinc/52/01/65/398520165.db2.gz LJSAEZCANVTNHS-KRWDZBQOSA-N 2 0 305.466 2.574 20 0 DFADRP COCC1(CC[NH2+]C2CCN(c3cc[nH+]cc3)CC2)CCC1 ZINC000459592292 299143326 /nfs/dbraw/zinc/14/33/26/299143326.db2.gz PJNTUZDDPXPGDL-UHFFFAOYSA-N 2 0 303.450 2.847 20 0 DFADRP COc1ccc([C@H](C)[NH2+][C@H](C)CCN2CC[NH+](C)CC2)c(C)c1 ZINC000414132201 295770663 /nfs/dbraw/zinc/77/06/63/295770663.db2.gz MGAKGRJRQNANIK-SJORKVTESA-N 2 0 319.493 2.680 20 0 DFADRP CCO[C@H]1C[C@@H]([NH2+][C@H](C)c2ccc(OCC[NH+](C)C)cc2)C1 ZINC000414145496 295771827 /nfs/dbraw/zinc/77/18/27/295771827.db2.gz NYKPZGZICWBLIM-KYJSFNMBSA-N 2 0 306.450 2.845 20 0 DFADRP CC[NH+]1CCC(C[NH2+][C@@H](C)c2cnc3cc(C)nn3c2C)CC1 ZINC000321108095 398551915 /nfs/dbraw/zinc/55/19/15/398551915.db2.gz JEVHHRJIZUDCQD-AWEZNQCLSA-N 2 0 315.465 2.729 20 0 DFADRP C[NH+](C)Cc1ccc(C(=O)NCC2([NH+](C)C)CCCCC2)cc1 ZINC000069178598 398555344 /nfs/dbraw/zinc/55/53/44/398555344.db2.gz UUDZNGRGWLAMMJ-UHFFFAOYSA-N 2 0 317.477 2.743 20 0 DFADRP CC[NH+](CC)Cc1ccc(CNC(=O)[C@H]2CCCCC[NH2+]2)cc1 ZINC000322004569 398555766 /nfs/dbraw/zinc/55/57/66/398555766.db2.gz NYLJCFOILAPDPK-GOSISDBHSA-N 2 0 317.477 2.677 20 0 DFADRP C[C@H](c1cccc2ccccc21)[N@@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000323835428 398561520 /nfs/dbraw/zinc/56/15/20/398561520.db2.gz ROCRYRSEYDXDMQ-AEFFLSMTSA-N 2 0 309.457 2.880 20 0 DFADRP CC(C)[N@H+](C)CC1CCN(C(=O)[C@H]([NH3+])CC2CCCCC2)CC1 ZINC000323689594 398560898 /nfs/dbraw/zinc/56/08/98/398560898.db2.gz RFFWHRXCSQLCHE-GOSISDBHSA-N 2 0 323.525 2.863 20 0 DFADRP Cn1cc(C[NH2+]CC2(C)CC[NH+](C)CC2)c(-c2ccccc2)n1 ZINC000272548944 209962723 /nfs/dbraw/zinc/96/27/23/209962723.db2.gz MAOKZJIADUIOSS-UHFFFAOYSA-N 2 0 312.461 2.909 20 0 DFADRP C[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+]CCc2cn(C)cn2)CC1 ZINC000459655888 299157070 /nfs/dbraw/zinc/15/70/70/299157070.db2.gz GLIISNPIHKGJBU-CRAIPNDOSA-N 2 0 304.482 2.595 20 0 DFADRP C[C@H](C(=O)NCCC[NH+]1CCC(C)CC1)[C@@H]([NH3+])c1ccccc1 ZINC000236701377 201973131 /nfs/dbraw/zinc/97/31/31/201973131.db2.gz JNPQVFGYQCRZIA-FUHWJXTLSA-N 2 0 317.477 2.561 20 0 DFADRP [NH3+]CCC1CC[NH+](CCC(=O)Nc2cccc(Cl)c2)CC1 ZINC000070188454 398593188 /nfs/dbraw/zinc/59/31/88/398593188.db2.gz YRXBLLFNNKGTDA-UHFFFAOYSA-N 2 0 309.841 2.729 20 0 DFADRP COC(=O)CCC[C@@H]1CCC[C@H]([NH2+]CCC2CC[NH2+]CC2)C1 ZINC000593321964 398598573 /nfs/dbraw/zinc/59/85/73/398598573.db2.gz KCWNFSOKFVWAKQ-IRXDYDNUSA-N 2 0 310.482 2.868 20 0 DFADRP C[NH+](C)Cc1ccc(C(=O)Nc2ccn(-c3cc[nH+]cc3)n2)cc1 ZINC000071028269 398608175 /nfs/dbraw/zinc/60/81/75/398608175.db2.gz CCVAGKXRZRNEJJ-UHFFFAOYSA-N 2 0 321.384 2.581 20 0 DFADRP CCOC(=O)[C@]1(C)CCC[C@H]1[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000597241239 398603492 /nfs/dbraw/zinc/60/34/92/398603492.db2.gz QSXBQXWAGOPSBZ-SJLPKXTDSA-N 2 0 308.466 2.572 20 0 DFADRP COC(=O)[C@H]1C[C@H]([NH2+]C2CC[NH+]([C@@H]3CCCC[C@@H]3C)CC2)C1 ZINC000597243647 398604455 /nfs/dbraw/zinc/60/44/55/398604455.db2.gz TURQULGKEXCDSJ-NXNVCVFFSA-N 2 0 308.466 2.571 20 0 DFADRP O=C(CC[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1)Nc1cccc(F)c1 ZINC000150749919 186062918 /nfs/dbraw/zinc/06/29/18/186062918.db2.gz DUYOHLORNNFUDQ-HNNXBMFYSA-N 2 0 319.424 2.572 20 0 DFADRP O=C(CC[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1)Nc1ccccc1F ZINC000150751865 186063800 /nfs/dbraw/zinc/06/38/00/186063800.db2.gz KJCJLRZEVHDFDA-OAHLLOKOSA-N 2 0 319.424 2.572 20 0 DFADRP C[NH+](C)C[C@H](N[C@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccc(F)cc1 ZINC000287149281 219343917 /nfs/dbraw/zinc/34/39/17/219343917.db2.gz SRHRVTAQEBAUFN-KSZLIROESA-N 2 0 305.441 2.645 20 0 DFADRP C[C@@H](C[NH2+]CCCC[N@@H+]1CCC[C@@H]1CO)Cc1ccccc1 ZINC000152546651 186083667 /nfs/dbraw/zinc/08/36/67/186083667.db2.gz QJKHCNMMJLSEMN-IEBWSBKVSA-N 2 0 304.478 2.692 20 0 DFADRP C[C@@H](C[NH2+]C1CC[NH+](C[C@@H]2CCOC2)CC1)Cc1ccccc1 ZINC000152653905 186094411 /nfs/dbraw/zinc/09/44/11/186094411.db2.gz KKHXAJZAJKEBCZ-MJGOQNOKSA-N 2 0 316.489 2.956 20 0 DFADRP C[C@H](C[NH2+]C1CC[NH+](C[C@H]2CCOC2)CC1)Cc1ccccc1 ZINC000152653988 186094494 /nfs/dbraw/zinc/09/44/94/186094494.db2.gz KKHXAJZAJKEBCZ-PKOBYXMFSA-N 2 0 316.489 2.956 20 0 DFADRP CC[C@H](C)[C@H]([NH3+])C(=O)Nc1ccc2ccn(CC[NH+](C)C)c2c1 ZINC000155750586 186109539 /nfs/dbraw/zinc/10/95/39/186109539.db2.gz QAUWXQXRHZCIEI-GUYCJALGSA-N 2 0 316.449 2.515 20 0 DFADRP CC(C)(C)[C@H]([NH3+])C(=O)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000164083357 186148363 /nfs/dbraw/zinc/14/83/63/186148363.db2.gz RKSCOPMOZDZFDW-QGZVFWFLSA-N 2 0 317.477 2.662 20 0 DFADRP C[C@H]1C[NH+](Cc2ccc(C[NH2+]Cc3cc[nH]c3)cc2)C[C@H](C)O1 ZINC000175696070 186189585 /nfs/dbraw/zinc/18/95/85/186189585.db2.gz HXCHGUPZABSXBM-HOTGVXAUSA-N 2 0 313.445 2.914 20 0 DFADRP C[C@@H]1C[N@@H+](Cc2ccc(C[NH2+]Cc3cc[nH]c3)cc2)C[C@H](C)O1 ZINC000175696052 186189666 /nfs/dbraw/zinc/18/96/66/186189666.db2.gz HXCHGUPZABSXBM-IYBDPMFKSA-N 2 0 313.445 2.914 20 0 DFADRP COC(=O)c1ccc(C[NH+]2CCC(CCC[NH+](C)C)CC2)o1 ZINC000179704471 186207864 /nfs/dbraw/zinc/20/78/64/186207864.db2.gz XIVMDLDYRCGXQF-UHFFFAOYSA-N 2 0 308.422 2.620 20 0 DFADRP COC(=O)[C@@H]1CCC[C@@H]1[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000590656962 398646666 /nfs/dbraw/zinc/64/66/66/398646666.db2.gz ABDQETPCNNTSLJ-SJORKVTESA-N 2 0 308.466 2.715 20 0 DFADRP CC(C)[NH+]1CCC(C(=O)NCCC[N@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC000174649317 535146555 /nfs/dbraw/zinc/14/65/55/535146555.db2.gz DCOZJNRMOOIQDE-CALCHBBNSA-N 2 0 323.525 2.591 20 0 DFADRP C[C@@H]([NH2+][C@H]1CCC[C@@H]1CCO)c1ccc(OCC[NH+](C)C)cc1 ZINC000188041265 186248321 /nfs/dbraw/zinc/24/83/21/186248321.db2.gz HTACPYMTRKDKFY-SUMDDJOVSA-N 2 0 320.477 2.829 20 0 DFADRP C[C@H]1C[C@H](C[NH+]2CCN(Cc3ccccc3Cl)CC2)CC[NH2+]1 ZINC000414672331 295814063 /nfs/dbraw/zinc/81/40/63/295814063.db2.gz HFJDCJUUMUMWET-JKSUJKDBSA-N 2 0 321.896 2.846 20 0 DFADRP CC[N@@H+]1CC[C@@H]([NH2+]Cc2ccccc2Cn2ccnc2)[C@H](C)C1 ZINC000268739295 186373475 /nfs/dbraw/zinc/37/34/75/186373475.db2.gz CQVKKUVMAMTAAL-VQIMIIECSA-N 2 0 312.461 2.751 20 0 DFADRP CC[N@@H+]1CC[C@H](CN[C@H]2CC[NH+](Cc3ccccc3)C[C@H]2C)C1 ZINC000268746023 186376194 /nfs/dbraw/zinc/37/61/94/186376194.db2.gz ASPFXPKJBZQZGK-RLLQIKCJSA-N 2 0 315.505 2.828 20 0 DFADRP COCCOc1cccc(C[NH2+]CC[C@@H]2CCC[N@H+](C)C2)c1 ZINC000459734891 299176599 /nfs/dbraw/zinc/17/65/99/299176599.db2.gz OTSODPQWMRDQTN-INIZCTEOSA-N 2 0 306.450 2.533 20 0 DFADRP C[C@H]([NH2+]Cc1ccc(-c2cnn(C)c2)s1)[C@H]1CCC[NH2+]C1 ZINC000414817501 295821724 /nfs/dbraw/zinc/82/17/24/295821724.db2.gz ARIBSEQRCUQEDY-STQMWFEESA-N 2 0 304.463 2.626 20 0 DFADRP COc1ccc(C[C@H](C)C[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1F ZINC000414827429 295823090 /nfs/dbraw/zinc/82/30/90/295823090.db2.gz KSOZRLAHCKHRFH-NTQSIJHJSA-N 2 0 306.425 2.886 20 0 DFADRP C[NH2+]C[C@@H](C)C[NH2+][C@H](C)CC(=O)Nc1ccc(C(C)C)cc1 ZINC000414830113 295823220 /nfs/dbraw/zinc/82/32/20/295823220.db2.gz BUWILYFCCYKXQM-HUUCEWRRSA-N 2 0 305.466 2.972 20 0 DFADRP C[NH2+]C[C@@H](C)C[NH2+][C@H](C)CC(=O)Nc1cc(Cl)ccc1C ZINC000414838075 295824503 /nfs/dbraw/zinc/82/45/03/295824503.db2.gz KTFFURVBZYLWQE-DGCLKSJQSA-N 2 0 311.857 2.811 20 0 DFADRP Cc1nn(-c2ccc(F)cc2)c(C)c1C[NH2+]CC[C@H]1CC[NH2+]C1 ZINC000414833119 295824051 /nfs/dbraw/zinc/82/40/51/295824051.db2.gz PFLFQNACOLWCFR-OAHLLOKOSA-N 2 0 316.424 2.717 20 0 DFADRP CC[NH+]1CCC(C[NH2+]Cc2cc3c(cc2OC)C[C@@H](C)O3)CC1 ZINC000378929424 398657875 /nfs/dbraw/zinc/65/78/75/398657875.db2.gz WRCXONTUJOKLRV-CQSZACIVSA-N 2 0 318.461 2.840 20 0 DFADRP Fc1cc(C[NH2+]CC[C@@H]2CCC[NH2+]C2)ccc1OC(F)F ZINC000414844416 295825241 /nfs/dbraw/zinc/82/52/41/295825241.db2.gz REOLZNVOZYEOGJ-NSHDSACASA-N 2 0 302.340 2.906 20 0 DFADRP C[C@@H]1CCC[C@@H]([NH+]2CCC(NC3C[C@H]4CC[C@@H](C3)[NH2+]4)CC2)C1 ZINC000414840315 295824638 /nfs/dbraw/zinc/82/46/38/295824638.db2.gz YOERATCQGGRDBB-ZLMZNLFFSA-N 2 0 305.510 2.902 20 0 DFADRP CC(C)n1ncnc1CNCC[C@H](C)[N@H+](C)Cc1ccccc1 ZINC000379632684 398658920 /nfs/dbraw/zinc/65/89/20/398658920.db2.gz NWBNTJVBOGSNFH-INIZCTEOSA-N 2 0 315.465 2.859 20 0 DFADRP c1cc(OC[C@@H]2CCCO2)ccc1C[NH2+]CC[C@@H]1CCC[NH2+]C1 ZINC000414848794 295825786 /nfs/dbraw/zinc/82/57/86/295825786.db2.gz LDEAKGQWABGBJR-LPHOPBHVSA-N 2 0 318.461 2.724 20 0 DFADRP COc1cc(C[NH2+][C@@H](C)[C@@H]2CCC[NH2+]C2)c(SC)cc1OC ZINC000414851446 295826183 /nfs/dbraw/zinc/82/61/83/295826183.db2.gz JIWMVLRALNGIBS-QWHCGFSZSA-N 2 0 324.490 2.903 20 0 DFADRP COc1ccc(OC(F)F)c(C[NH2+]CC[C@@H]2CCC[NH2+]C2)c1 ZINC000414851213 295826222 /nfs/dbraw/zinc/82/62/22/295826222.db2.gz NUAYVTZGJZRDCT-LBPRGKRZSA-N 2 0 314.376 2.776 20 0 DFADRP C[C@@H](O)C[NH+]1CCC(CN(C)c2cc[nH+]c3ccccc32)CC1 ZINC000171986680 198020927 /nfs/dbraw/zinc/02/09/27/198020927.db2.gz ABZVVXFNRJDYDI-OAHLLOKOSA-N 2 0 313.445 2.764 20 0 DFADRP CCOC(=O)[C@@H]1CC[C@@H]([NH2+]CC2([NH3+])CCCCCC2)C[C@@H]1C ZINC000414858142 295827228 /nfs/dbraw/zinc/82/72/28/295827228.db2.gz IBIPYPDRPDMMQB-ARFHVFGLSA-N 2 0 310.482 2.996 20 0 DFADRP C[C@H]([NH2+]Cc1cnc(-c2ccncc2)s1)[C@H]1CCC[NH2+]C1 ZINC000414858535 295827249 /nfs/dbraw/zinc/82/72/49/295827249.db2.gz RXCNJZGKXGTJCG-JSGCOSHPSA-N 2 0 302.447 2.683 20 0 DFADRP C[C@H](CC(=O)Nc1cccc(F)c1)[NH2+][C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000414857136 295827252 /nfs/dbraw/zinc/82/72/52/295827252.db2.gz OYFITJZTHZDWGO-MGPQQGTHSA-N 2 0 307.413 2.521 20 0 DFADRP COc1ccc(C[C@H](C)C[NH2+][C@@H](C)[C@H]2CCC[NH2+]C2)cc1F ZINC000414860839 295827305 /nfs/dbraw/zinc/82/73/05/295827305.db2.gz VZSKIZJCXXDCHX-DZKIICNBSA-N 2 0 308.441 2.991 20 0 DFADRP C[C@H](C[NH3+])C[NH2+]Cc1cn(Cc2ccccc2)nc1C(C)(C)C ZINC000414884214 295830364 /nfs/dbraw/zinc/83/03/64/295830364.db2.gz VUIBFYQWTXHQLJ-OAHLLOKOSA-N 2 0 314.477 2.913 20 0 DFADRP COc1ccc(C[NH2+][C@@H]2CCC[C@@H]([NH3+])C2)cc1Br ZINC000414906948 295833249 /nfs/dbraw/zinc/83/32/49/295833249.db2.gz ABXNECBSJUTFJY-VXGBXAGGSA-N 2 0 313.239 2.817 20 0 DFADRP CC1(C[NH2+]Cc2c[nH]nc2-c2c(F)cccc2F)CC[NH2+]CC1 ZINC000414904562 295832757 /nfs/dbraw/zinc/83/27/57/295832757.db2.gz NMFBJBVQINZYNV-UHFFFAOYSA-N 2 0 320.387 2.834 20 0 DFADRP C[C@@H](CC(=O)Nc1ccc(F)cc1)[NH2+]CC1(C)CC[NH2+]CC1 ZINC000414903425 295832764 /nfs/dbraw/zinc/83/27/64/295832764.db2.gz LYKORSGSNPZZNF-ZDUSSCGKSA-N 2 0 307.413 2.522 20 0 DFADRP CC[NH+](CC)CCC[NH2+]C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000121197511 282803712 /nfs/dbraw/zinc/80/37/12/282803712.db2.gz YQNZBSNWHQXEOA-UHFFFAOYSA-N 2 0 313.486 2.707 20 0 DFADRP CCC(C)(C)NC(=O)C[NH+]1CCC(CCC[NH+]2CCCC2)CC1 ZINC000121803006 282817205 /nfs/dbraw/zinc/81/72/05/282817205.db2.gz LVJURRYHZIYXMH-UHFFFAOYSA-N 2 0 323.525 2.879 20 0 DFADRP COc1cc(C[NH2+][C@H]2CC[NH2+]CC2(C)C)ccc1OC(C)C ZINC000414967277 295842122 /nfs/dbraw/zinc/84/21/22/295842122.db2.gz HHYTWKXSCRSKPG-KRWDZBQOSA-N 2 0 306.450 2.960 20 0 DFADRP CCCCCNC(=O)[C@H](C)[NH+]1CCC(C[N@H+](C)C(C)C)CC1 ZINC000590786150 398673634 /nfs/dbraw/zinc/67/36/34/398673634.db2.gz DAKJPYLYUNYAPM-INIZCTEOSA-N 2 0 311.514 2.734 20 0 DFADRP CCCCOc1ccccc1C[NH2+]CC1(COC)CC[NH2+]CC1 ZINC000414972309 295842757 /nfs/dbraw/zinc/84/27/57/295842757.db2.gz JVBWMQZHCOIASN-UHFFFAOYSA-N 2 0 320.477 2.971 20 0 DFADRP COCC1(C[NH2+]C2CCC(C(F)(F)F)CC2)CC[NH2+]CC1 ZINC000414972366 295842813 /nfs/dbraw/zinc/84/28/13/295842813.db2.gz KANFFAYFJAREMX-UHFFFAOYSA-N 2 0 308.388 2.713 20 0 DFADRP CC(C)[N@H+](C)CC1CC[NH+](CC(=O)N2C[C@@H](C)C[C@H](C)C2)CC1 ZINC000590787000 398674333 /nfs/dbraw/zinc/67/43/33/398674333.db2.gz QCHMZFZLTIUVKV-IRXDYDNUSA-N 2 0 323.525 2.543 20 0 DFADRP COc1ccc(C[NH2+]C[C@H]2CCC[C@@H]([NH3+])C2)cc1OC(F)F ZINC000414995756 295845376 /nfs/dbraw/zinc/84/53/76/295845376.db2.gz NVZNXRPPLNOISO-WCQYABFASA-N 2 0 314.376 2.904 20 0 DFADRP CCOc1c(OC)cc(C[NH2+]C[C@H]2CCC[C@@H]([NH3+])C2)cc1OC ZINC000414996570 295845394 /nfs/dbraw/zinc/84/53/94/295845394.db2.gz OQNFAQFQHNABBK-DZGCQCFKSA-N 2 0 322.449 2.710 20 0 DFADRP COc1ccc(C[NH2+]C[C@@H]2CCC[C@@H]([NH3+])C2)c(Cl)c1OC ZINC000414999796 295845959 /nfs/dbraw/zinc/84/59/59/295845959.db2.gz SMQFCXBZPDIOFN-DGCLKSJQSA-N 2 0 312.841 2.964 20 0 DFADRP [NH3+][C@@H]1CCC[C@H](C[NH2+]Cc2cnn(-c3ccc(F)cc3)c2)C1 ZINC000415004204 295846495 /nfs/dbraw/zinc/84/64/95/295846495.db2.gz XVDBIUPXXCPOEF-XJKSGUPXSA-N 2 0 302.397 2.619 20 0 DFADRP CC1(C)[C@H]([NH2+]CC2CC[NH+](CCO)CC2)C[C@@H]1c1ccccc1 ZINC000123192866 282843912 /nfs/dbraw/zinc/84/39/12/282843912.db2.gz HIFZSEPBSQERLH-RTBURBONSA-N 2 0 316.489 2.863 20 0 DFADRP Cc1nn(Cc2ccccc2)c(C)c1C[NH2+][C@@H]1CC[C@@H](C[NH3+])C1 ZINC000415032248 295849213 /nfs/dbraw/zinc/84/92/13/295849213.db2.gz HVTNWBSXTOGADM-QZTJIDSGSA-N 2 0 312.461 2.765 20 0 DFADRP C[N@@H+]1CCC[C@@H](CNC(=O)c2ccc(Nc3cc[nH+]cc3)cc2)C1 ZINC000073477752 398682842 /nfs/dbraw/zinc/68/28/42/398682842.db2.gz OHJRXXWUWNNFIK-HNNXBMFYSA-N 2 0 324.428 2.897 20 0 DFADRP [NH3+]C[C@H]1CC[C@@H]([NH2+]Cc2cccc(OCC(F)(F)F)c2)C1 ZINC000415046852 295851045 /nfs/dbraw/zinc/85/10/45/295851045.db2.gz VKLRTNGSIIEZRY-WCQYABFASA-N 2 0 302.340 2.845 20 0 DFADRP [NH3+]C[C@H]1CC[C@@H]([NH2+]Cc2ccccc2OCC(F)(F)F)C1 ZINC000415050275 295851367 /nfs/dbraw/zinc/85/13/67/295851367.db2.gz YEUMMJURPJMNOT-WCQYABFASA-N 2 0 302.340 2.845 20 0 DFADRP Cc1ccccc1NC(=O)CC[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000173494708 198220704 /nfs/dbraw/zinc/22/07/04/198220704.db2.gz ZWTSSPVANFKOJH-KRWDZBQOSA-N 2 0 315.461 2.741 20 0 DFADRP Cc1cc(C)n2c(C[NH2+][C@@H](CCC[NH3+])c3ccccc3)cnc2n1 ZINC000415060288 295853092 /nfs/dbraw/zinc/85/30/92/295853092.db2.gz WERHHXPRLWRLMP-SFHVURJKSA-N 2 0 323.444 2.916 20 0 DFADRP COc1cccc(C[NH2+][C@@H](C)CCCC[NH3+])c1OC(F)F ZINC000415069803 295854352 /nfs/dbraw/zinc/85/43/52/295854352.db2.gz XOLDDBRKJHNRDR-NSHDSACASA-N 2 0 302.365 2.904 20 0 DFADRP c1ccc2c(c1)CCOC21CC[NH+](C[C@H]2CCC[NH2+]C2)CC1 ZINC000415092762 295857095 /nfs/dbraw/zinc/85/70/95/295857095.db2.gz BFVCTUVPJHKAPG-INIZCTEOSA-N 2 0 300.446 2.550 20 0 DFADRP OCC1([C@@H]([NH2+]CC2CC[NH2+]CC2)c2ccccc2)CCCC1 ZINC000415094176 295857099 /nfs/dbraw/zinc/85/70/99/295857099.db2.gz DEZDJZYFEZDSOJ-SFHVURJKSA-N 2 0 302.462 2.870 20 0 DFADRP C[C@@H]([NH2+]C[C@H]1CC[NH2+][C@H](C)C1)c1noc(-c2ccccc2)n1 ZINC000415090855 295856906 /nfs/dbraw/zinc/85/69/06/295856906.db2.gz PKROYCUWDSRHSF-MCIONIFRSA-N 2 0 300.406 2.775 20 0 DFADRP C[C@H](CC1CCOCC1)C[NH+]1CCC([C@@H]2OCCC[C@H]2[NH3+])CC1 ZINC000415107734 295858865 /nfs/dbraw/zinc/85/88/65/295858865.db2.gz LLZCAMVOZLOXDS-LZQZEXGQSA-N 2 0 324.509 2.658 20 0 DFADRP [NH3+]C1CCC([NH2+]CCc2nc(-c3ccccn3)cs2)CC1 ZINC000415112518 295859624 /nfs/dbraw/zinc/85/96/24/295859624.db2.gz SAZMWBHQMKWBDW-UHFFFAOYSA-N 2 0 302.447 2.607 20 0 DFADRP OCc1ccc(C[NH2+]Cc2ccc(C[NH+]3CCCC3)cc2)o1 ZINC000174249059 198309764 /nfs/dbraw/zinc/30/97/64/198309764.db2.gz XUPWRDALWHKBNJ-UHFFFAOYSA-N 2 0 300.402 2.658 20 0 DFADRP Cc1cc(F)ccc1C[NH+]1CCC([C@H]2C[C@H]([NH3+])CCO2)CC1 ZINC000415117865 295860274 /nfs/dbraw/zinc/86/02/74/295860274.db2.gz CMBVRGAAEONMJG-QZTJIDSGSA-N 2 0 306.425 2.852 20 0 DFADRP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+]CCc1cn2ccccc2n1 ZINC000415122162 295861066 /nfs/dbraw/zinc/86/10/66/295861066.db2.gz ZYZQNOADOYENOQ-HZPDHXFCSA-N 2 0 300.450 2.777 20 0 DFADRP C[C@H](C[NH2+]C1CCN(Cc2ccccc2)CC1)Cn1ccnc1 ZINC000174318020 198319387 /nfs/dbraw/zinc/31/93/87/198319387.db2.gz RNZDBGHKNJCJJT-QGZVFWFLSA-N 3 0 312.461 2.773 20 0 DFADRP C[C@H]1CCC[C@H]([NH2+]Cc2ccc(C(=O)NCC[NH+](C)C)cc2)C1 ZINC000174411275 198331573 /nfs/dbraw/zinc/33/15/73/198331573.db2.gz RZLRLITVQLTMQL-YJBOKZPZSA-N 2 0 317.477 2.646 20 0 DFADRP c1cnn(Cc2ccc(C[NH2+][C@@H]3CCC[C@@H]3[C@H]3CCC[NH2+]3)cc2)c1 ZINC000415124679 295861421 /nfs/dbraw/zinc/86/14/21/295861421.db2.gz RFHFJUIQUBXUAJ-VAMGGRTRSA-N 2 0 324.472 2.942 20 0 DFADRP C[C@H]1C[C@H]([NH2+]Cc2ccc(OCCC[NH+](C)C)cc2)CC[N@@H+]1C ZINC000174517273 198345319 /nfs/dbraw/zinc/34/53/19/198345319.db2.gz YVLBLBWOBXKIIA-FUHWJXTLSA-N 3 0 319.493 2.589 20 0 DFADRP C[C@H](Cc1ccc(C(C)(C)C)cc1)C[NH+]1CCC(O)(C[NH3+])CC1 ZINC000415142222 295864179 /nfs/dbraw/zinc/86/41/79/295864179.db2.gz PLZIQERRUAEKHS-MRXNPFEDSA-N 2 0 318.505 2.948 20 0 DFADRP CC[NH+](CC)[C@@H]1CCN(C(=O)Nc2cccc(C[NH+](C)C)c2)C1 ZINC000174869906 198395114 /nfs/dbraw/zinc/39/51/14/198395114.db2.gz SVHUXWJNUAGXCY-QGZVFWFLSA-N 2 0 318.465 2.696 20 0 DFADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1[NH2+]CCCN(C)c1ccccc1F ZINC000129099902 283001795 /nfs/dbraw/zinc/00/17/95/283001795.db2.gz FWQSPXCJQLFGCE-VYDXJSESSA-N 2 0 307.457 2.970 20 0 DFADRP C[C@@H]1CCC[N@H+](Cc2ccc(NC(=O)[C@@H]3CC[NH+](C)C3)cc2)C1 ZINC000591096320 398726763 /nfs/dbraw/zinc/72/67/63/398726763.db2.gz CVAASAKSJYSBAU-NVXWUHKLSA-N 2 0 315.461 2.809 20 0 DFADRP CC(C)N(C)CC[NH2+]C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000130061121 283038518 /nfs/dbraw/zinc/03/85/18/283038518.db2.gz RLQSSDNYZBJSCX-HNNXBMFYSA-N 2 0 313.486 2.563 20 0 DFADRP CC[N@H+](Cc1ccc(C(=O)N2CCCC[C@@H]2C[NH3+])cc1)C1CC1 ZINC000131111483 283072014 /nfs/dbraw/zinc/07/20/14/283072014.db2.gz KTZAJUQARKQESA-GOSISDBHSA-N 2 0 315.461 2.624 20 0 DFADRP CCC[NH+]1CCC(CNC(=O)Nc2cccc(C[NH2+]C)c2)CC1 ZINC000415922446 295902377 /nfs/dbraw/zinc/90/23/77/295902377.db2.gz UDQBCCAMTLBCTB-UHFFFAOYSA-N 2 0 318.465 2.650 20 0 DFADRP C[NH2+]Cc1ccc(NC(=O)N(C)[C@@H](C)C2CC[NH+](C)CC2)cc1 ZINC000415984161 295908560 /nfs/dbraw/zinc/90/85/60/295908560.db2.gz OXRYEVOEMWOFQQ-AWEZNQCLSA-N 2 0 318.465 2.600 20 0 DFADRP C/C=C\C[C@@H](CO)[NH2+]Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000681135859 545601923 /nfs/dbraw/zinc/60/19/23/545601923.db2.gz IODIRMCNTVKXPL-KVLZDYKBSA-N 2 0 318.461 2.578 20 0 DFADRP CC[C@H](Cc1cccs1)[NH2+][C@H](C)CCN1CC[NH+](C)CC1 ZINC000681141443 545603054 /nfs/dbraw/zinc/60/30/54/545603054.db2.gz NVTDADUSZHZNKQ-HZPDHXFCSA-N 2 0 309.523 2.685 20 0 DFADRP CC[NH+]1CCC(CCNC(=O)[C@@H](C)[C@H]([NH3+])c2ccccc2)CC1 ZINC000236851610 202036852 /nfs/dbraw/zinc/03/68/52/202036852.db2.gz GRVMVOPYLPFSPE-YJBOKZPZSA-N 2 0 317.477 2.561 20 0 DFADRP CC[NH+](CC)[C@H](CNC(=O)[C@H]1CCC[C@@H]([NH3+])C1)c1ccccc1 ZINC000236884972 202050663 /nfs/dbraw/zinc/05/06/63/202050663.db2.gz DBQTYNSWFNEIHO-RCCFBDPRSA-N 2 0 317.477 2.703 20 0 DFADRP C[C@@H]([NH2+]Cc1ccc(OCCC[NH+](C)C)cc1)C1CCOCC1 ZINC000134481804 283188786 /nfs/dbraw/zinc/18/87/86/283188786.db2.gz DBAGXENBDRMIRB-MRXNPFEDSA-N 2 0 320.477 2.922 20 0 DFADRP CCC[N@H+](CC)Cc1ccc(C(=O)N[C@H]2CCC[C@H]2C[NH3+])cc1 ZINC000269296414 283189089 /nfs/dbraw/zinc/18/90/89/283189089.db2.gz WBVRIMHTEXSSFX-ROUUACIJSA-N 2 0 317.477 2.776 20 0 DFADRP CC[C@@H](C)[C@H]([NH3+])C(=O)NC1CCC([NH+]2CCC(C)CC2)CC1 ZINC000236914062 202068533 /nfs/dbraw/zinc/06/85/33/202068533.db2.gz BCRGVLBXZQIKNC-VXLLPVPCSA-N 2 0 309.498 2.519 20 0 DFADRP CC[NH+](CC)Cc1ccccc1CNC(=O)C1([NH3+])CCCCC1 ZINC000236906413 202063392 /nfs/dbraw/zinc/06/33/92/202063392.db2.gz ILQSHVITTHAPNQ-UHFFFAOYSA-N 2 0 317.477 2.806 20 0 DFADRP CC[NH+](CC)Cc1ccccc1CNC(=O)[C@H]1CCC[C@@H]([NH3+])C1 ZINC000236909011 202065587 /nfs/dbraw/zinc/06/55/87/202065587.db2.gz QODHDEGBKRAUPX-MAUKXSAKSA-N 2 0 317.477 2.662 20 0 DFADRP CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)[C@]2(CC)CCC[NH2+]2)C1 ZINC000134601902 283193767 /nfs/dbraw/zinc/19/37/67/283193767.db2.gz VDCYCJBNDJONGZ-QAPCUYQASA-N 2 0 309.498 2.535 20 0 DFADRP CC[C@@H](C)[C@@H]([NH3+])C(=O)NC1CCC([NH+]2CCC(C)CC2)CC1 ZINC000236961053 202095703 /nfs/dbraw/zinc/09/57/03/202095703.db2.gz BCRGVLBXZQIKNC-RDHHWEPZSA-N 2 0 309.498 2.519 20 0 DFADRP C[NH+](C)[C@@H](CNC(=O)C[C@@H]([NH3+])c1ccccc1)C1CCCCC1 ZINC000237138280 202163979 /nfs/dbraw/zinc/16/39/79/202163979.db2.gz QMPUFTRTQIHCBF-MSOLQXFVSA-N 2 0 317.477 2.703 20 0 DFADRP C[NH+](C)[C@@H](CNC(=O)C[C@H]([NH3+])c1ccccc1)c1cccs1 ZINC000237139061 202164423 /nfs/dbraw/zinc/16/44/23/202164423.db2.gz QASMMGJIEUMYMG-GJZGRUSLSA-N 2 0 317.458 2.557 20 0 DFADRP C[NH+](C)[C@H](CNC(=O)CC1C[C@H]2CC[C@@H](C1)[NH2+]2)C1CCCCC1 ZINC000237189608 202181691 /nfs/dbraw/zinc/18/16/91/202181691.db2.gz LXUNHYYQGUIGQH-NXCDMZCRSA-N 2 0 321.509 2.534 20 0 DFADRP COc1ccc(C[C@@H](C)[NH2+]C[C@@H](C)C[NH+]2CCCC2)cc1OC ZINC000237221331 202193938 /nfs/dbraw/zinc/19/39/38/202193938.db2.gz HEHIXVXLSOCVCN-HZPDHXFCSA-N 2 0 320.477 2.956 20 0 DFADRP CCC[N@@H+](CC(=O)NC1CC[NH+](CC)CC1)CC1CCCCC1 ZINC000050075932 398802855 /nfs/dbraw/zinc/80/28/55/398802855.db2.gz TWDKIIJDRFXGKP-UHFFFAOYSA-N 2 0 323.525 2.879 20 0 DFADRP CC[NH+](CC)CCCNC(=O)C1CC[NH+](CCC(C)C)CC1 ZINC000150994847 283273257 /nfs/dbraw/zinc/27/32/57/283273257.db2.gz LEFMEQKZBYMZAF-UHFFFAOYSA-N 2 0 311.514 2.593 20 0 DFADRP COC(=O)c1ccc2c(c1)[C@H]([NH2+]CCC[NH+]1CCCC1)CCC2 ZINC000594491127 398808335 /nfs/dbraw/zinc/80/83/35/398808335.db2.gz WGORRDSAXNTLPW-GOSISDBHSA-N 2 0 316.445 2.926 20 0 DFADRP CC(C)[C@@H](C(=O)N1CCC[C@@H](C[N@@H+]2CCCC[C@@H]2C)C1)[NH+](C)C ZINC000151662524 283291623 /nfs/dbraw/zinc/29/16/23/283291623.db2.gz PPTSKYDESGRKPV-BZSNNMDCSA-N 2 0 323.525 2.686 20 0 DFADRP COc1ccc(C[C@H](C)C[NH2+][C@H]2CC[N@H+](C)[C@@H](C)C2)cc1OC ZINC000179507542 199047271 /nfs/dbraw/zinc/04/72/71/199047271.db2.gz SBGUYRISICUGBK-ZOBUZTSGSA-N 2 0 320.477 2.955 20 0 DFADRP COCC[N@H+](C)CCCN[C@H](c1ccccc1)c1ccccn1 ZINC000180104396 199118010 /nfs/dbraw/zinc/11/80/10/199118010.db2.gz DELKLUOLKWNHPA-LJQANCHMSA-N 2 0 313.445 2.729 20 0 DFADRP C[C@H](O)C[NH+]1CCC(C[N@H+](C)CCCCC(F)(F)F)CC1 ZINC000152661146 283333578 /nfs/dbraw/zinc/33/35/78/283333578.db2.gz AKFRKZANIDVZAM-ZDUSSCGKSA-N 2 0 310.404 2.744 20 0 DFADRP CC[C@H](O)CC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000180162958 199125320 /nfs/dbraw/zinc/12/53/20/199125320.db2.gz GEZZYKZWBUGRKO-IPQPSQTFSA-N 2 0 302.462 2.933 20 0 DFADRP CC[C@@](C)(O)C[NH2+][C@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000180164578 199125456 /nfs/dbraw/zinc/12/54/56/199125456.db2.gz RTVHIXHQPCSCDJ-CADBVGFASA-N 2 0 302.462 2.648 20 0 DFADRP COc1cc([C@H](C)[NH2+]C2CCN(CC[NH+](C)C)CC2)ccc1F ZINC000152833566 283341505 /nfs/dbraw/zinc/34/15/05/283341505.db2.gz BIVSBBDISDJTJA-AWEZNQCLSA-N 2 0 323.456 2.511 20 0 DFADRP CC[NH+]1CCN([C@@H](C)C[NH2+][C@H](C)c2ccc(F)c(OC)c2)CC1 ZINC000152910143 283344775 /nfs/dbraw/zinc/34/47/75/283344775.db2.gz IXGYCONGNPNUTG-LSDHHAIUSA-N 2 0 323.456 2.511 20 0 DFADRP CC[C@H]([NH2+]CCCN1CCC[N@H+](C)CC1)c1ccccc1F ZINC000180467604 199163200 /nfs/dbraw/zinc/16/32/00/199163200.db2.gz QVXHUCCZGMQANV-SFHVURJKSA-N 2 0 307.457 2.894 20 0 DFADRP C[NH2+]C[C@H](C)C(=O)NCc1cccc(C[NH+]2CCCCCC2)c1 ZINC000237335830 202236866 /nfs/dbraw/zinc/23/68/66/202236866.db2.gz JCGNAAQETDSRBH-INIZCTEOSA-N 2 0 317.477 2.534 20 0 DFADRP COC(=O)[C@@H]1C[C@H]1[C@H](C)[NH2+]C1CCC([NH+]2CCC(C)CC2)CC1 ZINC000594934697 398875783 /nfs/dbraw/zinc/87/57/83/398875783.db2.gz FGZVWZTWAPRIFM-VLMYXLFRSA-N 2 0 322.493 2.817 20 0 DFADRP CC1CC[NH+](CCN2CC[NH+](CC3CCCCC3)CC2)CC1 ZINC000153530746 283372797 /nfs/dbraw/zinc/37/27/97/283372797.db2.gz DGHVESNFRZQIFS-UHFFFAOYSA-N 2 0 307.526 2.916 20 0 DFADRP CC(C)(C)OC(=O)C1(C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)CCC1 ZINC000594993075 398887997 /nfs/dbraw/zinc/88/79/97/398887997.db2.gz ADMVDZYHAVZFCB-LSDHHAIUSA-N 2 0 308.466 2.715 20 0 DFADRP CC(C)[NH+]1CCC(O)(C[NH2+]CCCCOc2ccccc2)CC1 ZINC000438194982 297084366 /nfs/dbraw/zinc/08/43/66/297084366.db2.gz YGDVZPBPFVFLIK-UHFFFAOYSA-N 2 0 320.477 2.671 20 0 DFADRP C[C@H]([NH2+]C[C@H]1C[C@H]1C)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000469111748 299283979 /nfs/dbraw/zinc/28/39/79/299283979.db2.gz UCBMORZSRSIBJN-QLFBSQMISA-N 2 0 305.441 2.884 20 0 DFADRP OC[C@H]1CCC[N@@H+]1CCCC[NH2+][C@H](c1cccnc1)C1CCC1 ZINC000280862896 215925057 /nfs/dbraw/zinc/92/50/57/215925057.db2.gz NITXJDZBOBKAID-MOPGFXCFSA-N 2 0 317.477 2.749 20 0 DFADRP C[C@H]([NH2+]CCN1CC=CCC1)c1ccc(OCC[NH+](C)C)cc1 ZINC000280983262 216002880 /nfs/dbraw/zinc/00/28/80/216002880.db2.gz MFCBJRRUMXQUOF-KRWDZBQOSA-N 2 0 317.477 2.540 20 0 DFADRP CC[N@@H+]1CC[C@@H]([NH2+]CC2(C(=O)OC(C)(C)C)CCC2)[C@H](C)C1 ZINC000595099532 398905415 /nfs/dbraw/zinc/90/54/15/398905415.db2.gz NJFWSHOXHSSWFI-HUUCEWRRSA-N 2 0 310.482 2.818 20 0 DFADRP CCCc1cccc(C[N@@H+]2CC[C@@H](N3CC[NH+](CC)CC3)C2)c1 ZINC000186937691 200034925 /nfs/dbraw/zinc/03/49/25/200034925.db2.gz CZQLLAADSFGEHT-HXUWFJFHSA-N 2 0 315.505 2.851 20 0 DFADRP COC(=O)CC1CCC([NH2+]C[C@H]2CCC[N@@H+](C(C)C)C2)CC1 ZINC000599025547 398909823 /nfs/dbraw/zinc/90/98/23/398909823.db2.gz BWHUYPWUIBBZTQ-AQFXKWCLSA-N 2 0 310.482 2.818 20 0 DFADRP CCN1CC[NH+](CCCC[NH2+][C@H](C)Cc2ccccc2F)CC1 ZINC000187766485 200154014 /nfs/dbraw/zinc/15/40/14/200154014.db2.gz QLPXVEYJBYTSER-QGZVFWFLSA-N 2 0 321.484 2.764 20 0 DFADRP CC[C@H]([NH2+]C[C@@H](C)CN1CC[NH+](C)CC1)c1cccc(F)c1 ZINC000187955740 200182076 /nfs/dbraw/zinc/18/20/76/200182076.db2.gz KBSWCDIXNKQOBN-QAPCUYQASA-N 2 0 307.457 2.750 20 0 DFADRP C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)CCC2CC[NH2+]CC2)C1 ZINC000237548262 202278812 /nfs/dbraw/zinc/27/88/12/202278812.db2.gz YNUZTCVAXNVRDT-IAGOWNOFSA-N 2 0 323.525 2.641 20 0 DFADRP CC[NH+](CC)Cc1cccc(NC(=O)c2coc(C[NH3+])c2)c1 ZINC000188080102 200190861 /nfs/dbraw/zinc/19/08/61/200190861.db2.gz JGXFFOCCZFJPNZ-UHFFFAOYSA-N 2 0 301.390 2.832 20 0 DFADRP CO[C@@H](C)C[NH2+][C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000188109751 200195033 /nfs/dbraw/zinc/19/50/33/200195033.db2.gz NMUYFVYVFBWATI-DSLXNQLJSA-N 2 0 302.462 2.912 20 0 DFADRP C[C@@H](C(=O)NCCC[NH+]1CCCCCC1)[C@@H]([NH3+])c1ccccc1 ZINC000237606380 202300928 /nfs/dbraw/zinc/30/09/28/202300928.db2.gz ZKEMTOPJHTYLHY-SJLPKXTDSA-N 2 0 317.477 2.705 20 0 DFADRP C[C@H]1CCC[N@H+](CCCCNC(=O)C[C@@H]([NH3+])c2ccccc2)C1 ZINC000237721098 202337754 /nfs/dbraw/zinc/33/77/54/202337754.db2.gz QBZKOFXVRADQBS-FUHWJXTLSA-N 2 0 317.477 2.705 20 0 DFADRP CC[NH+](CC)Cc1ccc(NC(=O)C2CC[NH+](C)CC2)cc1 ZINC000188368929 200234727 /nfs/dbraw/zinc/23/47/27/200234727.db2.gz CZLYGWKVKJSXCF-UHFFFAOYSA-N 2 0 303.450 2.809 20 0 DFADRP CC[C@H](CC(F)F)C[N@@H+]1CC[C@@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000595337062 398924433 /nfs/dbraw/zinc/92/44/33/398924433.db2.gz JJPBNPJXCHQADX-HZPDHXFCSA-N 2 0 317.468 2.768 20 0 DFADRP [NH3+]C[C@@H]1CCCC[C@H]1NC(=O)c1cccc(C[NH+]2CCCC2)c1 ZINC000237928601 202395531 /nfs/dbraw/zinc/39/55/31/202395531.db2.gz YDEWEEMXVIVVLG-ZWKOTPCHSA-N 2 0 315.461 2.530 20 0 DFADRP [NH3+]C1(C(=O)NC2CC[NH+](C3CCCCC3)CC2)CCCCC1 ZINC000237906743 202385932 /nfs/dbraw/zinc/38/59/32/202385932.db2.gz UWZMTZDGAXZHGA-UHFFFAOYSA-N 2 0 307.482 2.561 20 0 DFADRP [NH3+]Cc1ccc(C(=O)NCCCCC[NH+]2CCCCC2)cc1 ZINC000237907546 202387295 /nfs/dbraw/zinc/38/72/95/202387295.db2.gz QFYHLATUUARNDI-UHFFFAOYSA-N 2 0 303.450 2.531 20 0 DFADRP Fc1cc(Cl)ccc1C[NH2+]CCCC[NH+]1CCOCC1 ZINC000189257199 200371112 /nfs/dbraw/zinc/37/11/12/200371112.db2.gz OGYBXWRUJGIOGM-UHFFFAOYSA-N 2 0 300.805 2.681 20 0 DFADRP CCc1cccc(C[N@H+](C)CC2CC[NH+](C[C@@H](C)O)CC2)c1 ZINC000189180825 200360592 /nfs/dbraw/zinc/36/05/92/200360592.db2.gz NQJZAIYSJRTFER-MRXNPFEDSA-N 2 0 304.478 2.774 20 0 DFADRP CC[NH+]1CCN([C@H](C)C[NH2+][C@@H](C)[C@@H]2C[C@H]2c2cccs2)CC1 ZINC000417324599 296009896 /nfs/dbraw/zinc/00/98/96/296009896.db2.gz PYJRLPNTUZZSPU-LTIDMASMSA-N 2 0 321.534 2.856 20 0 DFADRP C[C@H](Cc1ccccc1)[NH+]1CCC(NCC2([NH+](C)C)CC2)CC1 ZINC000417357761 296013418 /nfs/dbraw/zinc/01/34/18/296013418.db2.gz SBBPOZPKWYCTJY-QGZVFWFLSA-N 2 0 315.505 2.766 20 0 DFADRP C[NH+](C)C1(CNC2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)CC1 ZINC000417353032 296013203 /nfs/dbraw/zinc/01/32/03/296013203.db2.gz HUFLRYCNFIYIJO-YQQQUEKLSA-N 2 0 313.489 2.866 20 0 DFADRP CC[NH+](CC)[C@@H](CNC(=O)[C@H]1CCCC[N@@H+]1C)c1ccsc1 ZINC000599310001 398952279 /nfs/dbraw/zinc/95/22/79/398952279.db2.gz BVWFWLZARFKFSV-CVEARBPZSA-N 2 0 323.506 2.732 20 0 DFADRP CC(C)[NH+]1CCC(NC(=O)C[NH+]2CCC3(CCCC3)CC2)CC1 ZINC000158419460 398957829 /nfs/dbraw/zinc/95/78/29/398957829.db2.gz UWITUJIOGAOZSC-UHFFFAOYSA-N 2 0 321.509 2.632 20 0 DFADRP C[C@@H]1CCCC[N@@H+]1CCCC[NH2+]C1CCN(CC(F)F)CC1 ZINC000157870661 398956258 /nfs/dbraw/zinc/95/62/58/398956258.db2.gz UXOMAICOQZQXNZ-OAHLLOKOSA-N 2 0 317.468 2.960 20 0 DFADRP C[C@@H]([NH3+])[C@@H](C)C(=O)NCc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000192104264 200819030 /nfs/dbraw/zinc/81/90/30/200819030.db2.gz ZHDZNOBZKBDLGF-HZPDHXFCSA-N 2 0 317.477 2.662 20 0 DFADRP COc1ccc(CC[N@@H+]2CC[C@@H](C[NH+](C)CC3CC3)C2)cc1 ZINC000472485870 299326448 /nfs/dbraw/zinc/32/64/48/299326448.db2.gz ZIYAZMCZZDTATA-SFHVURJKSA-N 2 0 302.462 2.901 20 0 DFADRP CC[C@H](C[NH2+][C@H](C)CCN1CC[NH+](C)CC1)c1ccccc1 ZINC000473072572 299328177 /nfs/dbraw/zinc/32/81/77/299328177.db2.gz QOEVTFDRBJDSAP-QZTJIDSGSA-N 2 0 303.494 2.796 20 0 DFADRP C[C@H](C[NH+]1CCN([C@@H]2CCC[N@H+](C)C2)CC1)c1ccccc1 ZINC000604885261 398979918 /nfs/dbraw/zinc/97/99/18/398979918.db2.gz UPGNNULJAPXHAW-IEBWSBKVSA-N 2 0 301.478 2.502 20 0 DFADRP CCC[C@H]([NH2+]C(C)C)C(=O)NCC1([NH+](C)C)CCCCCC1 ZINC000473351850 299329314 /nfs/dbraw/zinc/32/93/14/299329314.db2.gz PZQYTRKGOQVCIE-INIZCTEOSA-N 2 0 311.514 2.924 20 0 DFADRP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)Cc2sccc2Cl)CC1 ZINC000194385686 201215571 /nfs/dbraw/zinc/21/55/71/201215571.db2.gz SYBHVAHPOHLVAQ-GFCCVEGCSA-N 2 0 316.898 2.926 20 0 DFADRP CC[NH+]1CCN(CCC[NH2+][C@H](c2ccc(F)cc2)C2CC2)CC1 ZINC000271842423 209259815 /nfs/dbraw/zinc/25/98/15/209259815.db2.gz KYTFZELGQJTTQA-IBGZPJMESA-N 2 0 319.468 2.894 20 0 DFADRP [NH3+]CCC[C@@H](NC(=O)CC1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccccc1 ZINC000417823553 296054758 /nfs/dbraw/zinc/05/47/58/296054758.db2.gz ADRLNZQWDZTKOR-NXCDMZCRSA-N 2 0 315.461 2.504 20 0 DFADRP Cc1cc(C[NH2+]Cc2cccc(C[N@@H+](C)C(C)C)c2)n(C)n1 ZINC000417889985 296061561 /nfs/dbraw/zinc/06/15/61/296061561.db2.gz LPKFZZDWOBPXGO-UHFFFAOYSA-N 2 0 300.450 2.859 20 0 DFADRP CC(C)[C@@H]([NH2+]C[C@@H](C)CN1CC[NH+](C)CC1)c1ccccc1 ZINC000091320539 193040136 /nfs/dbraw/zinc/04/01/36/193040136.db2.gz PKWOFWXHUJRBIH-IEBWSBKVSA-N 2 0 303.494 2.857 20 0 DFADRP CCC[C@@H](C(=O)Nc1cccc(CC[NH+]2CCCC2)c1)[NH+](C)C ZINC000091787975 193108292 /nfs/dbraw/zinc/10/82/92/193108292.db2.gz ILSIFXZKBXJFJK-SFHVURJKSA-N 2 0 317.477 2.994 20 0 DFADRP CC[N@H+](CC(=O)Nc1cccc(CC[NH+]2CCCC2)c1)C1CC1 ZINC000091824348 193113166 /nfs/dbraw/zinc/11/31/66/193113166.db2.gz NQMVCTWCXBELHE-UHFFFAOYSA-N 2 0 315.461 2.748 20 0 DFADRP CCCN(CC[NH+]1CCCC1)C(=O)NCC1([NH3+])CCCCCC1 ZINC000418283103 296083772 /nfs/dbraw/zinc/08/37/72/296083772.db2.gz JBSROGOFTKNTGF-UHFFFAOYSA-N 2 0 324.513 2.556 20 0 DFADRP [NH3+]C[C@@H](NC(=O)NCC[NH2+]C1CCCCCC1)C1CCCCC1 ZINC000418359897 296088228 /nfs/dbraw/zinc/08/82/28/296088228.db2.gz FMENTJHVNNQTHA-QGZVFWFLSA-N 2 0 324.513 2.506 20 0 DFADRP C[C@@H](C(=O)NC[C@H](c1cccc(Cl)c1)[NH+]1CCCC1)[C@H](C)[NH3+] ZINC000248996037 202779259 /nfs/dbraw/zinc/77/92/59/202779259.db2.gz HVIGMXSQVWWJDP-DVOMOZLQSA-N 2 0 323.868 2.576 20 0 DFADRP CC(=O)N1CC[C@H]([NH2+]CCCC[N@@H+](C)C2CC2)c2ccccc21 ZINC000621762709 399070497 /nfs/dbraw/zinc/07/04/97/399070497.db2.gz JGRYDYXGAWFWIE-SFHVURJKSA-N 2 0 315.461 2.948 20 0 DFADRP Cc1nc(C)c(C[NH2+]CCCC[NH+]2C[C@@H](C)O[C@H](C)C2)s1 ZINC000172339289 399075330 /nfs/dbraw/zinc/07/53/30/399075330.db2.gz INPYVHYGKOAREY-CHWSQXEVSA-N 2 0 311.495 2.739 20 0 DFADRP C[NH+](C)Cc1cccc(CNC(=O)CC[C@@H]2CCCC[N@@H+]2C)c1 ZINC000479420385 299376542 /nfs/dbraw/zinc/37/65/42/299376542.db2.gz XTBAGXLHKXGCIR-SFHVURJKSA-N 2 0 317.477 2.629 20 0 DFADRP C[NH+](C)CCN1CCC([NH2+][C@@H](c2ccc(F)cc2)C2CC2)CC1 ZINC000271752989 209182286 /nfs/dbraw/zinc/18/22/86/209182286.db2.gz HZLQAXSDNPMHQR-LJQANCHMSA-N 2 0 319.468 2.892 20 0 DFADRP COc1cccc(NC2CC[NH+](CCC3CC[NH2+]CC3)CC2)c1 ZINC000479686080 299382340 /nfs/dbraw/zinc/38/23/40/299382340.db2.gz LQAOUDPYKZDLHU-UHFFFAOYSA-N 2 0 317.477 2.961 20 0 DFADRP CCC[N@H+](CC)Cc1ccc(C(=O)NCC2=CC[NH2+]CC2)cc1 ZINC000275189281 212182176 /nfs/dbraw/zinc/18/21/76/212182176.db2.gz ZAWLJFSOXNUAGB-UHFFFAOYSA-N 2 0 315.461 2.568 20 0 DFADRP CCC[C@](C)([NH3+])C(=O)N[C@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000261545207 203074785 /nfs/dbraw/zinc/07/47/85/203074785.db2.gz JQMSQMHRUDDNDJ-AYBZRNKSSA-N 2 0 317.477 2.531 20 0 DFADRP C[C@@H](C(=O)NCC1([NH+](C)C)CCCCC1)[C@@H]([NH3+])c1ccccc1 ZINC000261648432 203087127 /nfs/dbraw/zinc/08/71/27/203087127.db2.gz FBTFPIIGFFUSEY-NVXWUHKLSA-N 2 0 317.477 2.703 20 0 DFADRP CC[NH+](CC)[C@H](CNC(=O)CC[C@H]1CC[NH2+]C1)c1ccccc1 ZINC000261713346 203099466 /nfs/dbraw/zinc/09/94/66/203099466.db2.gz LGSKEMJQGFQKIH-FUHWJXTLSA-N 2 0 317.477 2.575 20 0 DFADRP CC[NH+](CC)Cc1cccc(CNC(=O)CC[C@@H]2CC[NH2+]C2)c1 ZINC000261717417 203101918 /nfs/dbraw/zinc/10/19/18/203101918.db2.gz DVFONTYNBDZCTE-MRXNPFEDSA-N 2 0 317.477 2.534 20 0 DFADRP Cc1nn(-c2ccccc2)cc1C[N@H+](C)CC1CC[NH+](C)CC1 ZINC000093088701 193202031 /nfs/dbraw/zinc/20/20/31/193202031.db2.gz ZIJIJCUXEFJSOT-UHFFFAOYSA-N 2 0 312.461 2.954 20 0 DFADRP C[C@H]1C[C@@H](C(=O)Nc2ccc(CC[NH+]3CCCC3)cc2)CC[NH2+]1 ZINC000262320036 203260604 /nfs/dbraw/zinc/26/06/04/203260604.db2.gz CGBQLWDMJBMNPZ-RDJZCZTQSA-N 2 0 315.461 2.652 20 0 DFADRP [NH3+][C@@H]1CCC[C@@H](C(=O)NC[C@H](c2cccs2)[NH+]2CCCC2)C1 ZINC000262326393 203262307 /nfs/dbraw/zinc/26/23/07/203262307.db2.gz XAQSUBNKXCIKRP-RBSFLKMASA-N 2 0 321.490 2.519 20 0 DFADRP CC[N@@H+]1CCC[C@H](N[C@H]2CC[NH+](C)[C@@H](c3ccccc3)C2)C1 ZINC000340193109 284156926 /nfs/dbraw/zinc/15/69/26/284156926.db2.gz SLWCHIPIKPJVBS-GBESFXJTSA-N 2 0 301.478 2.896 20 0 DFADRP Cc1ccc([C@H]([NH3+])C(=O)NCCCC[N@H+]2CCCC[C@@H]2C)cc1 ZINC000262647008 203363106 /nfs/dbraw/zinc/36/31/06/203363106.db2.gz KGHCUOHUSQLLFM-WMZOPIPTSA-N 2 0 317.477 2.766 20 0 DFADRP O=C(C[NH2+]CC1CC1)Nc1cccc(C[NH+]2CCCCC2)c1 ZINC000262676252 203377131 /nfs/dbraw/zinc/37/71/31/203377131.db2.gz UEYCAVQDHDNGGV-UHFFFAOYSA-N 2 0 301.434 2.611 20 0 DFADRP CCC[C@@](C)([NH3+])C(=O)NCC1CC[NH+](Cc2cccs2)CC1 ZINC000262693941 203384340 /nfs/dbraw/zinc/38/43/40/203384340.db2.gz BWIXRGUSNNCBMJ-QGZVFWFLSA-N 2 0 323.506 2.594 20 0 DFADRP CCC[C@](C)([NH3+])C(=O)NC[C@H](c1ccc(C)cc1)[NH+]1CCCC1 ZINC000262717036 203392234 /nfs/dbraw/zinc/39/22/34/203392234.db2.gz VZBLHMPUNXJVHF-MJGOQNOKSA-N 2 0 317.477 2.766 20 0 DFADRP C[N@H+](CCOc1ccc(Br)cc1)CC(C)(C)C[NH3+] ZINC000093874224 193321913 /nfs/dbraw/zinc/32/19/13/193321913.db2.gz DXFGBIDSBRALLJ-UHFFFAOYSA-N 2 0 315.255 2.745 20 0 DFADRP COC(=O)c1ccccc1C[NH+]1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000595901445 399129403 /nfs/dbraw/zinc/12/94/03/399129403.db2.gz WGXSKQIKDZBHOZ-MRXNPFEDSA-N 2 0 316.445 2.685 20 0 DFADRP O=C(NCCC[NH2+]C1CCCCC1)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC000419922356 296151716 /nfs/dbraw/zinc/15/17/16/296151716.db2.gz OUVGQUHYBMNFEM-GOSISDBHSA-N 2 0 321.509 2.822 20 0 DFADRP C[NH+]1CCN(c2cc(C[NH2+][C@@H]3CCC[C@@H]4C[C@@]43C)ccn2)CC1 ZINC000282393024 216959455 /nfs/dbraw/zinc/95/94/55/216959455.db2.gz XOPBSJABDODZBW-LMMKCTJWSA-N 2 0 314.477 2.502 20 0 DFADRP COC(=O)c1cccc(C[N@@H+]2CCC[C@@H](C)[C@H]2CCC[NH3+])c1 ZINC000595911183 399131870 /nfs/dbraw/zinc/13/18/70/399131870.db2.gz SOQSAJYCJGNRIE-RHSMWYFYSA-N 2 0 304.434 2.813 20 0 DFADRP CCOc1cc2[nH+]ccc(N3CC[NH2+][C@@H](C)C3)c2cc1OCC ZINC000420202527 296161908 /nfs/dbraw/zinc/16/19/08/296161908.db2.gz NUHRZGYCBBZXQM-ZDUSSCGKSA-N 2 0 315.417 2.830 20 0 DFADRP CCOc1cc2[nH+]ccc(N[C@H](C)CC[NH3+])c2cc1OCC ZINC000420225505 296163583 /nfs/dbraw/zinc/16/35/83/296163583.db2.gz JCYPGKWZPQMVFU-GFCCVEGCSA-N 2 0 303.406 2.603 20 0 DFADRP COc1cc2c(cc1F)[nH+]ccc2N1CC[NH2+]C[C@](C)(F)C1 ZINC000420255786 296166275 /nfs/dbraw/zinc/16/62/75/296166275.db2.gz BVKRBYPHGHFAID-INIZCTEOSA-N 2 0 307.344 2.520 20 0 DFADRP CC(C)Oc1ccc2[nH+]ccc(N3CCCO[C@H](C[NH3+])C3)c2c1 ZINC000420271705 296167988 /nfs/dbraw/zinc/16/79/88/296167988.db2.gz BSQJFRAJGHPROD-OAHLLOKOSA-N 2 0 315.417 2.576 20 0 DFADRP COC(=O)c1sc2ccccc2c1C[NH+]1CCC(C[NH3+])CC1 ZINC000420271464 296168009 /nfs/dbraw/zinc/16/80/09/296168009.db2.gz KLNSPSIZRJBQQA-UHFFFAOYSA-N 2 0 318.442 2.859 20 0 DFADRP CC1CCN(C(=[NH2+])NCc2ccc(CC[NH+](C)C)cc2)CC1 ZINC000341497131 284262649 /nfs/dbraw/zinc/26/26/49/284262649.db2.gz RSDOCQXZZFAGDM-UHFFFAOYSA-N 2 0 302.466 2.547 20 0 DFADRP CCc1ccccc1[C@@H]([NH3+])CNc1cncc(-n2ccnc2C)n1 ZINC000420285462 296169260 /nfs/dbraw/zinc/16/92/60/296169260.db2.gz VRYCWTPWNXDAJE-INIZCTEOSA-N 2 0 322.416 2.645 20 0 DFADRP CCc1ccccc1NC(=O)[C@@H](C)[NH+]1CCC(C[NH2+]C)CC1 ZINC000420295461 296170599 /nfs/dbraw/zinc/17/05/99/296170599.db2.gz PGKIKXSWRKMODL-CQSZACIVSA-N 2 0 303.450 2.507 20 0 DFADRP CCC[N@H+](CC[C@H]1CC[NH2+]C1)[C@H](C)C(=O)Nc1ccccc1 ZINC000420293837 296170647 /nfs/dbraw/zinc/17/06/47/296170647.db2.gz ANYBLMDCZVIABX-HZPDHXFCSA-N 2 0 303.450 2.725 20 0 DFADRP Cc1cccc(CN2CC[NH+](CC[C@H]3CCC[NH2+]C3)CC2)c1 ZINC000420296452 296170917 /nfs/dbraw/zinc/17/09/17/296170917.db2.gz DPSKMQPHFJCCAB-GOSISDBHSA-N 2 0 301.478 2.502 20 0 DFADRP COC(=O)c1cc2cc(C[N@@H+]3CCC[C@@H]([C@H](C)[NH3+])C3)ccc2o1 ZINC000420297023 296171004 /nfs/dbraw/zinc/17/10/04/296171004.db2.gz YCPMFRGNESQNRX-GXTWGEPZSA-N 2 0 316.401 2.779 20 0 DFADRP C[C@H](c1ccc(Cl)cc1)[C@@H](C)[N@H+](C)CCN1CC[NH2+]CC1 ZINC000420301552 296171760 /nfs/dbraw/zinc/17/17/60/296171760.db2.gz LKYKZFSWIGNRDG-LSDHHAIUSA-N 2 0 309.885 2.669 20 0 DFADRP O=C(NC1CCCCC1)C1CC[NH+](CC[C@H]2CCC[NH2+]C2)CC1 ZINC000420301079 296171803 /nfs/dbraw/zinc/17/18/03/296171803.db2.gz LADLRPRVBDKNEA-MRXNPFEDSA-N 2 0 321.509 2.537 20 0 DFADRP O=C(NC1CCCCC1)C1CC[NH+](CC[C@@H]2CCC[NH2+]C2)CC1 ZINC000420301076 296171893 /nfs/dbraw/zinc/17/18/93/296171893.db2.gz LADLRPRVBDKNEA-INIZCTEOSA-N 2 0 321.509 2.537 20 0 DFADRP [NH3+]CC[C@H]1CCCC[N@@H+]1CCC(=O)Nc1ccc(Cl)cc1 ZINC000420311809 296173283 /nfs/dbraw/zinc/17/32/83/296173283.db2.gz HVZMQWSEXHCGCF-OAHLLOKOSA-N 2 0 309.841 2.872 20 0 DFADRP [NH3+]CC[C@H]1CCC[N@H+](Cc2nc(-c3ccc(F)c(F)c3)no2)C1 ZINC000420312170 296173514 /nfs/dbraw/zinc/17/35/14/296173514.db2.gz OKDDTBXNPBJREU-LLVKDONJSA-N 2 0 322.359 2.576 20 0 DFADRP c1ccc(C[N@@H+](CC[C@H]2CCCCO2)[C@@H]2CCC[NH2+]CC2)nc1 ZINC000420313719 296173756 /nfs/dbraw/zinc/17/37/56/296173756.db2.gz PTTJWSWFTGJWRM-RTBURBONSA-N 2 0 317.477 2.985 20 0 DFADRP [NH3+]CC[C@@H]1CCC[N@H+](Cc2ccn(-c3c(F)cccc3F)n2)C1 ZINC000420312670 296173822 /nfs/dbraw/zinc/17/38/22/296173822.db2.gz ORNRKOIENBZWPL-ZDUSSCGKSA-N 2 0 320.387 2.711 20 0 DFADRP O=C(CC1CCCC1)NC1CC[NH+](CC[C@@H]2CCC[NH2+]C2)CC1 ZINC000420312815 296173845 /nfs/dbraw/zinc/17/38/45/296173845.db2.gz XIUIGFBJNYQEGK-KRWDZBQOSA-N 2 0 321.509 2.537 20 0 DFADRP CCC[N@H+](CC[C@@H]1CC[NH2+]C1)C[C@@H]1COc2ccccc2O1 ZINC000420315290 296174102 /nfs/dbraw/zinc/17/41/02/296174102.db2.gz LNLPYQLZWAKVKS-JKSUJKDBSA-N 2 0 304.434 2.538 20 0 DFADRP CCOc1ccccc1OCC[N@@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000420321068 296174833 /nfs/dbraw/zinc/17/48/33/296174833.db2.gz CFPXGQYLKHEYKU-IRXDYDNUSA-N 2 0 318.461 2.786 20 0 DFADRP COc1cccc(C[N@H+](CC[C@@H]2CC[NH2+]C2)C[C@@H]2CCCO2)c1 ZINC000420328527 296176115 /nfs/dbraw/zinc/17/61/15/296176115.db2.gz ZUPCVOOWLVVSPU-LPHOPBHVSA-N 2 0 318.461 2.676 20 0 DFADRP Cc1ccccc1NC(=O)[C@H](C)[N@@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000420331190 296176353 /nfs/dbraw/zinc/17/63/53/296176353.db2.gz BSXLTWQZAAZNQR-ULQDDVLXSA-N 2 0 315.461 2.644 20 0 DFADRP COC(=O)[C@H](c1ccccc1C)[N@@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000420326721 296175707 /nfs/dbraw/zinc/17/57/07/296175707.db2.gz KOGLQVVGABCJAP-BQFCYCMXSA-N 2 0 316.445 2.531 20 0 DFADRP Cc1ccc(C(=O)C2CC[NH+](CC[C@H]3CC[NH2+]C3)CC2)cc1 ZINC000420327775 296176080 /nfs/dbraw/zinc/17/60/80/296176080.db2.gz YSAUCGOYAXGDTL-MRXNPFEDSA-N 2 0 300.446 2.889 20 0 DFADRP Cc1ccc(NC(=O)C[N@@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)cc1C ZINC000420339555 296177369 /nfs/dbraw/zinc/17/73/69/296177369.db2.gz LZTGAHCPSZEALV-SJORKVTESA-N 2 0 315.461 2.563 20 0 DFADRP C[C@@H](C(=O)N(C)c1ccccc1)[NH+]1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000420333719 296176681 /nfs/dbraw/zinc/17/66/81/296176681.db2.gz FPRJFBWGJQQMRB-MAUKXSAKSA-N 2 0 315.461 2.502 20 0 DFADRP c1ccc2c(c1)cccc2CCC[N@@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000420345616 296178041 /nfs/dbraw/zinc/17/80/41/296178041.db2.gz ATEFTGJEKPUKIC-HXUWFJFHSA-N 2 0 323.484 2.752 20 0 DFADRP c1coc(-c2cc(C[N@@H+]3CCC[C@H]([C@H]4CC[NH2+]C4)C3)no2)c1 ZINC000420345986 296178058 /nfs/dbraw/zinc/17/80/58/296178058.db2.gz WZQAPXOESOHDBQ-KBPBESRZSA-N 2 0 301.390 2.756 20 0 DFADRP C[C@@H]1C[C@@H]([NH2+]CC2([S@](C)=O)CC2)CCN1Cc1ccccc1 ZINC000282480101 217026748 /nfs/dbraw/zinc/02/67/48/217026748.db2.gz WTYCKACCKZKZQU-ZWWNWMABSA-N 2 0 320.502 2.540 20 0 DFADRP C[C@@H](C(=O)Nc1cccc(F)c1)[NH+]1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000420339905 296177589 /nfs/dbraw/zinc/17/75/89/296177589.db2.gz MDLHARCIFYUCLI-SUMWQHHRSA-N 2 0 319.424 2.617 20 0 DFADRP COc1ccc(OCCC[NH+]2CCC([C@H]3CCC[NH2+]3)CC2)cc1 ZINC000420341904 296177665 /nfs/dbraw/zinc/17/76/65/296177665.db2.gz OTUCPYIEQBXFPR-LJQANCHMSA-N 2 0 318.461 2.928 20 0 DFADRP CC[C@H](Cc1ccccc1)[NH2+]CCN1CC[N@H+](C)C(C)(C)C1 ZINC000282502220 217044062 /nfs/dbraw/zinc/04/40/62/217044062.db2.gz YHDHGOSRGBTZEG-GOSISDBHSA-N 2 0 303.494 2.623 20 0 DFADRP C[N@@H+]1CCN(CC[NH2+]Cc2cc(Cl)cs2)CC1(C)C ZINC000282530412 217066912 /nfs/dbraw/zinc/06/69/12/217066912.db2.gz ZAHHBHBEYIPERJ-UHFFFAOYSA-N 2 0 301.887 2.517 20 0 DFADRP FC(F)(F)c1c[nH]c([C@H]2CCC[N@H+](CC[C@H]3CC[NH2+]C3)C2)n1 ZINC000420361869 296179914 /nfs/dbraw/zinc/17/99/14/296179914.db2.gz NREDVNGFPBMPLH-NEPJUHHUSA-N 2 0 316.371 2.608 20 0 DFADRP c1ccc(CC[C@H]2C[N@H+](CC[C@@H]3CCC[NH2+]C3)CCO2)cc1 ZINC000420364343 296180341 /nfs/dbraw/zinc/18/03/41/296180341.db2.gz QOIBFQRMLLSCBE-OALUTQOASA-N 2 0 302.462 2.710 20 0 DFADRP CSc1ccccc1NC(=O)CC[NH2+][C@H]1CC[NH2+]CC1(C)C ZINC000420364598 296180418 /nfs/dbraw/zinc/18/04/18/296180418.db2.gz PIBMGYXPFAGUHX-HNNXBMFYSA-N 2 0 321.490 2.715 20 0 DFADRP CC[NH+](CC)Cc1ccc(C(=O)N(C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)o1 ZINC000607523120 399172182 /nfs/dbraw/zinc/17/21/82/399172182.db2.gz SMWFTZMYWWZHKQ-LSDHHAIUSA-N 2 0 321.465 2.676 20 0 DFADRP CC[NH+](CC)Cc1ccc(C(=O)N(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)o1 ZINC000607523118 399173145 /nfs/dbraw/zinc/17/31/45/399173145.db2.gz SMWFTZMYWWZHKQ-HUUCEWRRSA-N 2 0 321.465 2.676 20 0 DFADRP FC1(F)C[C@@H]1CC[NH2+][C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000622043968 399174497 /nfs/dbraw/zinc/17/44/97/399174497.db2.gz QOJUYIAYTIEGSJ-BJJXKVORSA-N 2 0 308.372 2.877 20 0 DFADRP FC(F)(F)c1ccn([C@H]2CCC[N@H+](CC[C@@H]3CC[NH2+]C3)C2)n1 ZINC000420374495 296182198 /nfs/dbraw/zinc/18/21/98/296182198.db2.gz NTSQYBYYYFFJBF-STQMWFEESA-N 2 0 316.371 2.538 20 0 DFADRP c1ccc(CCOCCC[N@@H+]2CCC[C@]3(CC[NH2+]C3)C2)cc1 ZINC000420376404 296182748 /nfs/dbraw/zinc/18/27/48/296182748.db2.gz OYOAMDVITJIKBS-LJQANCHMSA-N 2 0 302.462 2.711 20 0 DFADRP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@@H]2CCCc3occc32)CC1 ZINC000192823809 399175301 /nfs/dbraw/zinc/17/53/01/399175301.db2.gz MFQQAHJCXPDEON-NVXWUHKLSA-N 2 0 305.466 2.520 20 0 DFADRP c1ccc2c(c1)CCN2C1CC[NH+](CCC2CC[NH2+]CC2)CC1 ZINC000420382185 296183512 /nfs/dbraw/zinc/18/35/12/296183512.db2.gz YQWRUXSGKUACEB-UHFFFAOYSA-N 2 0 313.489 2.903 20 0 DFADRP [NH3+][C@@H]1CCCO[C@@H]1C1CC[NH+](CCCc2cccc(F)c2)CC1 ZINC000420384713 296184006 /nfs/dbraw/zinc/18/40/06/296184006.db2.gz RWJFJEINXJXFPI-RTBURBONSA-N 2 0 320.452 2.977 20 0 DFADRP C[C@@H]1CCCC[C@@H]1OCC[NH+]1CCC([C@@H]2C[C@@H]([NH3+])CCO2)CC1 ZINC000420383275 296184013 /nfs/dbraw/zinc/18/40/13/296184013.db2.gz FNYDQPVJAIDGAZ-BVBHFADKSA-N 2 0 324.509 2.800 20 0 DFADRP [NH3+][C@H]1CCCO[C@@H]1C1CC[NH+](CCCc2ccccc2)CC1 ZINC000420388190 296184714 /nfs/dbraw/zinc/18/47/14/296184714.db2.gz WYKLTDKPCDSXKH-RBUKOAKNSA-N 2 0 302.462 2.838 20 0 DFADRP [NH3+][C@H]1CCO[C@@H](C2CC[NH+](CCCc3cccc(F)c3)CC2)C1 ZINC000420386616 296184460 /nfs/dbraw/zinc/18/44/60/296184460.db2.gz IWKKYHGWQHJSAJ-RBUKOAKNSA-N 2 0 320.452 2.977 20 0 DFADRP O=C(CC[N@@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1)Nc1ccc(F)cc1 ZINC000420393068 296185203 /nfs/dbraw/zinc/18/52/03/296185203.db2.gz JJRMWYQEOGONRH-WMLDXEAASA-N 2 0 319.424 2.618 20 0 DFADRP CC(=O)Nc1cccc(C[N@@H+]2CCCC[C@H]2[C@H]2CC[NH2+]C2)c1 ZINC000420402491 296186351 /nfs/dbraw/zinc/18/63/51/296186351.db2.gz QOWUDCNBVBWRFM-WMZOPIPTSA-N 2 0 301.434 2.609 20 0 DFADRP Clc1ccc([C@@H]([NH2+]CCN2CC[NH2+]CC2)C2CCC2)cc1 ZINC000420401892 296186576 /nfs/dbraw/zinc/18/65/76/296186576.db2.gz JRKJGNJBBSHLHF-KRWDZBQOSA-N 2 0 307.869 2.676 20 0 DFADRP [NH3+]CCOCC[NH2+][C@@H]1CCC[C@H]1c1ccccc1C(F)(F)F ZINC000420421149 296188299 /nfs/dbraw/zinc/18/82/99/296188299.db2.gz YLVKICLVJZGOAA-DZGCQCFKSA-N 2 0 316.367 2.906 20 0 DFADRP C[C@H](Cc1cccc(Cl)c1)[NH2+]C[C@H](C)CN1CC[NH+](C)CC1 ZINC000282762535 217233210 /nfs/dbraw/zinc/23/32/10/217233210.db2.gz WBQMVLZGWDNCQC-JKSUJKDBSA-N 2 0 323.912 2.744 20 0 DFADRP Cc1ccc(C[N@H+](C)C[C@@H]2CC[NH+](C)C2)c(-c2cnn(C)c2)c1 ZINC000282764866 217235165 /nfs/dbraw/zinc/23/51/65/217235165.db2.gz ITKJHGSEYVIIPZ-MRXNPFEDSA-N 2 0 312.461 2.779 20 0 DFADRP C[N@@H+]1CCCC[C@H]1C(=O)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000600996884 399198600 /nfs/dbraw/zinc/19/86/00/399198600.db2.gz LZQPHEFACQVGIN-MSOLQXFVSA-N 2 0 321.509 2.585 20 0 DFADRP COCCCOc1cccc(C[NH2+]C[C@@H]2CC[N@@H+](C(C)C)C2)c1 ZINC000063917295 399212742 /nfs/dbraw/zinc/21/27/42/399212742.db2.gz JZIZQCZJXOBQAX-SFHVURJKSA-N 2 0 320.477 2.922 20 0 DFADRP CCOC(=O)[C@@H]1CC[C@H]([NH2+]CCC[NH+](C)C)c2ccccc21 ZINC000283004232 217382219 /nfs/dbraw/zinc/38/22/19/217382219.db2.gz GMKFWMFPJAVLRJ-SJORKVTESA-N 2 0 304.434 2.710 20 0 DFADRP O=C1CCCN1CCC[NH+]1CCC(C[NH+]2CCCCCC2)CC1 ZINC000064141521 399217960 /nfs/dbraw/zinc/21/79/60/399217960.db2.gz MALNWCGJETWRIP-UHFFFAOYSA-N 2 0 321.509 2.587 20 0 DFADRP CC(C)[NH+]1CCC(C(=O)NCCCC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000081257284 399219782 /nfs/dbraw/zinc/21/97/82/399219782.db2.gz RGVVCNFOEPUVBF-QGZVFWFLSA-N 2 0 323.525 2.878 20 0 DFADRP CC(C)[NH+](CCN(C)C(=O)c1ccccc1C[NH+](C)C)C(C)C ZINC000487176973 299448727 /nfs/dbraw/zinc/44/87/27/299448727.db2.gz ZNQYHIZOPYWVGR-UHFFFAOYSA-N 2 0 319.493 2.939 20 0 DFADRP CC1(C)CN(CC(=O)NCC2([NH+]3CCCCC3)CCCCC2)C1 ZINC000622279040 399242966 /nfs/dbraw/zinc/24/29/66/399242966.db2.gz XDFVQZRASNPMOK-UHFFFAOYSA-N 2 0 321.509 2.633 20 0 DFADRP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@@H]1CCc2ccc(Cl)cc21 ZINC000343124353 284472440 /nfs/dbraw/zinc/47/24/40/284472440.db2.gz ZOESDIDRWROUMP-CXAGYDPISA-N 2 0 307.869 2.553 20 0 DFADRP CC(C)[C@@H](C[NH2+]C1CC2(C1)CCCCC2)N1CC[NH+](C)CC1 ZINC000421324491 296244629 /nfs/dbraw/zinc/24/46/29/296244629.db2.gz IDGUZMBETANAFT-GOSISDBHSA-N 2 0 307.526 2.961 20 0 DFADRP CCCN1C[C@H](C[NH2+]C2CC[NH+](C3CCCCC3)CC2)CC1=O ZINC000421345302 296246132 /nfs/dbraw/zinc/24/61/32/296246132.db2.gz AJUHRYHBVRYWDX-INIZCTEOSA-N 2 0 321.509 2.632 20 0 DFADRP CO[C@@H]1[C@@H](C)[C@H]([NH2+]C2CCN(c3cc[nH+]cc3)CC2)C1(C)C ZINC000421346483 296246346 /nfs/dbraw/zinc/24/63/46/296246346.db2.gz YXRFCNWNAMPKMC-RRQGHBQHSA-N 2 0 303.450 2.700 20 0 DFADRP CC(C)(C)CC(C)(C)[NH+]1CCC([NH2+]CC2(CC(N)=O)CC2)CC1 ZINC000421353661 296247033 /nfs/dbraw/zinc/24/70/33/296247033.db2.gz UCHOLIBWLMNLLU-UHFFFAOYSA-N 2 0 323.525 2.911 20 0 DFADRP CC[NH+]1CCC(N2CCC[N@H+](C[C@H]3CC=CCC3)CC2)CC1 ZINC000421376906 296250215 /nfs/dbraw/zinc/25/02/15/296250215.db2.gz REJVBSMYSZQDRX-SFHVURJKSA-N 2 0 305.510 2.835 20 0 DFADRP C[NH+](C)C1CCC([NH2+]Cc2cnc([C@H]3CCCO3)s2)CC1 ZINC000421376932 296250383 /nfs/dbraw/zinc/25/03/83/296250383.db2.gz SAMPXPJWSQDVJN-SSDMNJCBSA-N 2 0 309.479 2.957 20 0 DFADRP C[NH2+]C[C@H]1CCC[N@H+](CCC(=O)Nc2ccccc2Cl)C1 ZINC000040600298 183107763 /nfs/dbraw/zinc/10/77/63/183107763.db2.gz JUNSYDZVUXYLMX-CYBMUJFWSA-N 2 0 309.841 2.600 20 0 DFADRP Clc1ccccc1N1CC[NH+](CC[C@@H]2CCC[NH2+]C2)CC1 ZINC000051919421 425883277 /nfs/dbraw/zinc/88/32/77/425883277.db2.gz KXJRUKAPBZLDPU-HNNXBMFYSA-N 2 0 307.869 2.852 20 0 DFADRP COC(=O)[C@H](c1ccccc1)N1CCC[C@@H](n2ccnc2C)C1 ZINC000609799083 399331790 /nfs/dbraw/zinc/33/17/90/399331790.db2.gz IZUCCAAQCBGDRF-SJORKVTESA-N 2 0 313.401 2.743 20 0 DFADRP COCC[C@@H](C)[NH2+]Cc1ccc(OC2CC[NH+](C)CC2)cc1 ZINC000284401355 218012887 /nfs/dbraw/zinc/01/28/87/218012887.db2.gz MZXCGYDPAVMFHE-OAHLLOKOSA-N 2 0 306.450 2.674 20 0 DFADRP C[C@H]1CCCC[C@H]1OCC[NH+]1CCC(C[NH+]2CCOCC2)CC1 ZINC000051959633 425883684 /nfs/dbraw/zinc/88/36/84/425883684.db2.gz LNOVUKGKAHKGJX-PKOBYXMFSA-N 2 0 324.509 2.626 20 0 DFADRP CC1(C)CC[C@H]1[NH2+]Cc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC000284560491 218078983 /nfs/dbraw/zinc/07/89/83/218078983.db2.gz YGXRCASFFPYNIJ-GOSISDBHSA-N 2 0 302.462 2.922 20 0 DFADRP C[NH+](C)C1CCC(NC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC000422006300 296289531 /nfs/dbraw/zinc/28/95/31/296289531.db2.gz LQSOUDQNVWOENA-GTPINHCMSA-N 2 0 321.509 2.630 20 0 DFADRP CC[C@@H](C(=O)N1CCC([NH+]2CCCCC2)CC1)[NH+](CC)CC ZINC000345806218 284755251 /nfs/dbraw/zinc/75/52/51/284755251.db2.gz QJADPDHGXQCTLE-KRWDZBQOSA-N 2 0 309.498 2.584 20 0 DFADRP C[C@H]1Cc2ccccc2N1CC[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623380515 399376123 /nfs/dbraw/zinc/37/61/23/399376123.db2.gz BSQSXXFCBSCQEH-RDJZCZTQSA-N 2 0 301.478 2.900 20 0 DFADRP C[C@@H](NC(=O)c1ccc2c[nH+]cn2c1)[C@@H](c1ccccc1)[NH+](C)C ZINC000285112732 218295482 /nfs/dbraw/zinc/29/54/82/218295482.db2.gz XAPLDSXLEDRHJX-KDOFPFPSSA-N 2 0 322.412 2.756 20 0 DFADRP Cn1c(CC[NH2+][C@H]2CC[N@H+](C)C(C)(C)C2)nc2c1cccc2F ZINC000623419005 399385070 /nfs/dbraw/zinc/38/50/70/399385070.db2.gz OSSIVKVPBCLKBS-ZDUSSCGKSA-N 2 0 318.440 2.717 20 0 DFADRP CC[C@@H]([NH2+]CC[C@H]([NH3+])Cc1ccccc1)C1(C(=O)OC)CCC1 ZINC000602018356 399385246 /nfs/dbraw/zinc/38/52/46/399385246.db2.gz AOAXATATUWUHAG-DLBZAZTESA-N 2 0 318.461 2.658 20 0 DFADRP CC[NH+](CC)[C@H](CNC(=O)[C@@](C)([NH3+])c1ccccc1)CC(C)C ZINC000192515333 284820846 /nfs/dbraw/zinc/82/08/46/284820846.db2.gz RACUFFPRJUBFPL-HKUYNNGSSA-N 2 0 319.493 2.733 20 0 DFADRP CCC[NH+]1CCC([N@H+](C)CCC(=O)NCC2CCCCC2)CC1 ZINC000109788262 194285100 /nfs/dbraw/zinc/28/51/00/194285100.db2.gz LDWILNFEVHWRNJ-UHFFFAOYSA-N 2 0 323.525 2.879 20 0 DFADRP Clc1cccc(N2CC[NH+](CC[C@H]3CCC[NH2+]C3)CC2)c1 ZINC000051919403 183842302 /nfs/dbraw/zinc/84/23/02/183842302.db2.gz YXOMPQQYWPLDPK-OAHLLOKOSA-N 2 0 307.869 2.852 20 0 DFADRP C[C@@H]1C[C@H](C)[N@H+](CCCc2ccc3c(c2)CCO3)C[C@H]1C[NH3+] ZINC000422560991 296312557 /nfs/dbraw/zinc/31/25/57/296312557.db2.gz IIFVOGOPFNIHRP-RVKKMQEKSA-N 2 0 302.462 2.859 20 0 DFADRP C[N@@H+]1CC[C@H]([NH2+]CC[C@@H]2COc3ccccc3O2)CC1(C)C ZINC000623452632 399393746 /nfs/dbraw/zinc/39/37/46/399393746.db2.gz KBBFTNPRDVYLGE-LSDHHAIUSA-N 2 0 304.434 2.679 20 0 DFADRP C[C@H]([NH2+]CCc1ccc(OCC[NH+](C)C)cc1)c1cncs1 ZINC000268842163 207007789 /nfs/dbraw/zinc/00/77/89/207007789.db2.gz CYOJZDRBMUFDSL-AWEZNQCLSA-N 2 0 319.474 2.977 20 0 DFADRP C[C@H]([NH2+]CCCC[N@@H+]1CCC[C@@H]1CO)c1cc(F)cc(F)c1 ZINC000268863414 207030855 /nfs/dbraw/zinc/03/08/55/207030855.db2.gz FBVKUIJGKWZVQN-SUMWQHHRSA-N 2 0 312.404 2.852 20 0 DFADRP C[C@H]([NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1)c1ccc(-n2ccnn2)cc1 ZINC000623473713 399397672 /nfs/dbraw/zinc/39/76/72/399397672.db2.gz FJKFAHBYOYKFNY-GOEBONIOSA-N 2 0 313.449 2.791 20 0 DFADRP C[N@@H+]1CC[C@H]([NH2+][C@H]2CCOC3(CCSCC3)C2)CC1(C)C ZINC000623467160 399396421 /nfs/dbraw/zinc/39/64/21/399396421.db2.gz ZMJOOXNXTMQVEI-GJZGRUSLSA-N 2 0 312.523 2.894 20 0 DFADRP C[N@@H+]1CC[C@H](N[C@@H]2CC[NH+](C)C(C)(C)C2)[C@H]1c1ccccc1 ZINC000623475524 399397251 /nfs/dbraw/zinc/39/72/51/399397251.db2.gz PZAZQMUGPCOEAE-FGTMMUONSA-N 2 0 301.478 2.894 20 0 DFADRP CC(C)[C@H](C(=O)NCc1cccc(C[N@H+](C)C(C)C)c1)[NH+](C)C ZINC000110870591 194364949 /nfs/dbraw/zinc/36/49/49/194364949.db2.gz UXVSANAESXFMQP-GOSISDBHSA-N 2 0 319.493 2.729 20 0 DFADRP Cn1c2ccccc2nc1CC[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000268901178 207069124 /nfs/dbraw/zinc/06/91/24/207069124.db2.gz UNBKSCSTAHHRMH-NVXWUHKLSA-N 2 0 312.461 2.532 20 0 DFADRP C[C@@H]1C[C@H](C)[N@H+](CCc2nc(-c3ccccc3)no2)C[C@@H]1C[NH3+] ZINC000422640728 296317602 /nfs/dbraw/zinc/31/76/02/296317602.db2.gz VYFOFEABDOABET-YCPHGPKFSA-N 2 0 314.433 2.584 20 0 DFADRP C[C@@H]1C[C@@H](C)[N@H+](CCc2nc(-c3ccccc3)no2)C[C@@H]1C[NH3+] ZINC000422640725 296317689 /nfs/dbraw/zinc/31/76/89/296317689.db2.gz VYFOFEABDOABET-FMKPAKJESA-N 2 0 314.433 2.584 20 0 DFADRP CC(C)[C@H](C(=O)Nc1cccc(OCCC[NH+](C)C)c1)[NH+](C)C ZINC000111107869 194391201 /nfs/dbraw/zinc/39/12/01/194391201.db2.gz NDRCHFMZJSEGHO-QGZVFWFLSA-N 2 0 321.465 2.542 20 0 DFADRP CCn1cc([C@H]2OCCC[C@@H]2[NH2+][C@@H]2CC[N@H+](C)C(C)(C)C2)cn1 ZINC000623499017 399402732 /nfs/dbraw/zinc/40/27/32/399402732.db2.gz PSPOUYGEPSYPII-IXDOHACOSA-N 2 0 320.481 2.586 20 0 DFADRP C[C@@H]([NH2+]CCOCC1CC1)c1cccc(OCC[NH+](C)C)c1 ZINC000268923282 207088906 /nfs/dbraw/zinc/08/89/06/207088906.db2.gz PIYVEBQYHOKUTF-OAHLLOKOSA-N 2 0 306.450 2.704 20 0 DFADRP COc1ccccc1[C@H](CN[C@H]1CCC[C@@H]1[NH3+])[NH+]1CCCCC1 ZINC000422704993 296319037 /nfs/dbraw/zinc/31/90/37/296319037.db2.gz BCJZGUXWJQHVFI-BZSNNMDCSA-N 2 0 317.477 2.692 20 0 DFADRP COc1ccccc1[C@H](C[NH2+][C@H](C)CCC[NH3+])N1CCCCC1 ZINC000422706276 296319091 /nfs/dbraw/zinc/31/90/91/296319091.db2.gz DTZRZAUDISLDNN-AEFFLSMTSA-N 2 0 319.493 2.939 20 0 DFADRP C[C@H]1CC[NH2+]CC[C@H]1[NH2+]C1CCN(Cc2ccc(F)cc2)CC1 ZINC000422700494 296318510 /nfs/dbraw/zinc/31/85/10/296318510.db2.gz CAVIFFBWVHRCNF-HNAYVOBHSA-N 2 0 319.468 2.768 20 0 DFADRP CCOCCCC[NH2+][C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422701126 296318621 /nfs/dbraw/zinc/31/86/21/296318621.db2.gz CTRIJSISJFYOAM-SJLPKXTDSA-N 2 0 304.434 2.649 20 0 DFADRP C[C@H]([NH2+]CCOCC1CC1)c1cccc(OCC[NH+](C)C)c1 ZINC000268923280 207088538 /nfs/dbraw/zinc/08/85/38/207088538.db2.gz PIYVEBQYHOKUTF-HNNXBMFYSA-N 2 0 306.450 2.704 20 0 DFADRP C[C@H]1CC[NH2+]CC[C@@H]1[NH2+]CC(C)(C)N1CCc2ccccc2C1 ZINC000422704178 296318869 /nfs/dbraw/zinc/31/88/69/296318869.db2.gz OTGDEBSMJCJVLF-LPHOPBHVSA-N 2 0 315.505 2.801 20 0 DFADRP C[C@@H](CCC[NH3+])[NH2+]Cc1cccc(COC2CCOCC2)c1 ZINC000422703937 296318872 /nfs/dbraw/zinc/31/88/72/296318872.db2.gz JJSARRMXMDWZER-HNNXBMFYSA-N 2 0 306.450 2.599 20 0 DFADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]Cc1cc(Cl)c2c(c1)OCCO2 ZINC000422704194 296318907 /nfs/dbraw/zinc/31/89/07/296318907.db2.gz OTXLMYRNFNNFNC-RISCZKNCSA-N 2 0 310.825 2.589 20 0 DFADRP C[C@H](CN[C@@H](C)[C@H]1CCCC[NH2+]1)[N@@H+]1CCc2ccccc2C1 ZINC000422708635 296319264 /nfs/dbraw/zinc/31/92/64/296319264.db2.gz CCMGJKVZFVYIRI-JTDSTZFVSA-N 2 0 301.478 2.553 20 0 DFADRP CC[NH+](CC)C[C@H](C)N[C@H](c1ccc(OC)cc1)[C@H]1CCC[NH2+]1 ZINC000422707776 296319312 /nfs/dbraw/zinc/31/93/12/296319312.db2.gz AWGXVEGPOXTXAC-KFKAGJAMSA-N 2 0 319.493 2.808 20 0 DFADRP C[N@@H+]1CC[C@@H]([NH2+]C2CCN(c3nccs3)CC2)CC1(C)C ZINC000623513845 399405781 /nfs/dbraw/zinc/40/57/81/399405781.db2.gz OZGVIYLDSNNDSL-CQSZACIVSA-N 2 0 308.495 2.574 20 0 DFADRP C(NC1C[C@H]2CC[C@@H](C1)[NH2+]2)C1([NH+]2CCSCC2)CCCCC1 ZINC000422713169 296320106 /nfs/dbraw/zinc/32/01/06/296320106.db2.gz PIRXSIUNOWVFGB-SJPCQFCGSA-N 2 0 323.550 2.611 20 0 DFADRP C[C@H](C(=O)N1[C@H](C)CCC[C@@H]1C)[NH+]1CCC(CC[NH+](C)C)CC1 ZINC000056523661 184015331 /nfs/dbraw/zinc/01/53/31/184015331.db2.gz LEMKIBDDNSSTKE-IXDOHACOSA-N 2 0 323.525 2.828 20 0 DFADRP C[NH+](C)CCC1CC[NH+](Cc2cccc3nsnc32)CC1 ZINC000268940957 207104616 /nfs/dbraw/zinc/10/46/16/207104616.db2.gz SVTBNJSJANDKSX-UHFFFAOYSA-N 2 0 304.463 2.855 20 0 DFADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]C[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000422714545 296320475 /nfs/dbraw/zinc/32/04/75/296320475.db2.gz LAGVXNPJZTUUBA-AABGKKOBSA-N 3 0 315.505 2.658 20 0 DFADRP CC[C@H](C[NH2+][C@@H]1CCOC[C@H]1[C@@H]1CCC[NH2+]1)c1ccccc1 ZINC000422709778 296319768 /nfs/dbraw/zinc/31/97/68/296319768.db2.gz FBGBEHRQFQJEBT-XGXHKWSGSA-N 2 0 302.462 2.927 20 0 DFADRP C[C@H](CN[C@H](Cc1ccccc1)[C@@H](C)[NH3+])C[NH+]1CCCCC1 ZINC000422709285 296319868 /nfs/dbraw/zinc/31/98/68/296319868.db2.gz KGUSVDZLOVGVIO-ZHALLVOQSA-N 2 0 303.494 2.657 20 0 DFADRP C[C@@H](NC[C@@H]1CC[N@H+](CCc2ccccc2)C1)[C@H]1CCCC[NH2+]1 ZINC000422718537 296320980 /nfs/dbraw/zinc/32/09/80/296320980.db2.gz PWAXDVLAWVLGKX-YZGWKJHDSA-N 2 0 315.505 2.671 20 0 DFADRP Cc1nc(CN2CCC(C[NH2+][C@@H](C)CCCC[NH3+])CC2)oc1C ZINC000422715581 296320708 /nfs/dbraw/zinc/32/07/08/296320708.db2.gz SIDXUUFNXABTCV-AWEZNQCLSA-N 2 0 322.497 2.611 20 0 DFADRP CC[C@H]([NH2+]CCCc1ccc(OC)c(OC)c1)[C@@H]1CCC[NH2+]1 ZINC000422715315 296320717 /nfs/dbraw/zinc/32/07/17/296320717.db2.gz JBMGVWBOHDIDNL-HOTGVXAUSA-N 2 0 306.450 2.757 20 0 DFADRP C[C@H](C[NH2+]C1CCC(C[NH3+])CC1)N1CCc2ccccc2C1 ZINC000422719354 296320868 /nfs/dbraw/zinc/32/08/68/296320868.db2.gz QVPARRHECUPBLJ-MDCZIUGASA-N 2 0 301.478 2.540 20 0 DFADRP C[NH+](C)C[C@H](Cc1ccccc1)N[C@@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000422719953 296321241 /nfs/dbraw/zinc/32/12/41/296321241.db2.gz RSBONDJPZRHGDJ-PWIZWCRZSA-N 2 0 309.457 2.894 20 0 DFADRP C[C@@H]([NH2+][C@@H](C)C1C[NH2+]C1)c1cccc(OCc2ccccn2)c1 ZINC000422723700 296321889 /nfs/dbraw/zinc/32/18/89/296321889.db2.gz SBWWYYLCODCANY-CABCVRRESA-N 2 0 311.429 2.919 20 0 DFADRP C[NH+](C)CCCOc1ccc(C[NH2+]C2CCC(C[NH3+])CC2)cc1 ZINC000422721570 296321404 /nfs/dbraw/zinc/32/14/04/296321404.db2.gz VOTJUMNAHOXAPI-UHFFFAOYSA-N 3 0 319.493 2.624 20 0 DFADRP C[C@H]([NH2+]C1CCN(Cc2ccc(F)c(F)c2)CC1)[C@@H]1CCC[NH2+]1 ZINC000422725299 296322093 /nfs/dbraw/zinc/32/20/93/296322093.db2.gz XULNZFAWVTXPPC-UGSOOPFHSA-N 2 0 323.431 2.659 20 0 DFADRP [NH3+]C[C@H]1CCC[C@H]1[NH2+]C1CCN(Cc2ccc(F)cc2)CC1 ZINC000422725447 296322157 /nfs/dbraw/zinc/32/21/57/296322157.db2.gz YAQJEVBSMVYGNP-CRAIPNDOSA-N 2 0 305.441 2.507 20 0 DFADRP Cc1cccc(C(=O)NCC[NH2+][C@@H](C)C[C@@H]2CCCCC[NH2+]2)c1 ZINC000422729285 296322740 /nfs/dbraw/zinc/32/27/40/296322740.db2.gz HQSNVIKOEZQTEE-WMZOPIPTSA-N 2 0 317.477 2.625 20 0 DFADRP C[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CCN2Cc2ccccc2)CC1(C)C ZINC000623575127 399419724 /nfs/dbraw/zinc/41/97/24/399419724.db2.gz LWIMYICMMWPZKO-ROUUACIJSA-N 2 0 301.478 2.723 20 0 DFADRP CC[C@@H]1CCCC[N@@H+]1CCN[C@@H](Cc1ccccc1)[C@H](C)[NH3+] ZINC000422730995 296323165 /nfs/dbraw/zinc/32/31/65/296323165.db2.gz MXXBNXJJFNQNRV-UHOSZYNNSA-N 2 0 303.494 2.799 20 0 DFADRP C[NH+]1CCC(O)(C[NH2+][C@H]2CCCC[C@@H]2c2ccccc2)CC1 ZINC000269003505 207158739 /nfs/dbraw/zinc/15/87/39/207158739.db2.gz PWOALCGTZUHLDT-MSOLQXFVSA-N 2 0 302.462 2.759 20 0 DFADRP C[N@@H+]1CCCC[C@H](C[NH2+]C2CCN(CCC(F)(F)F)CC2)C1 ZINC000623657005 399437325 /nfs/dbraw/zinc/43/73/25/399437325.db2.gz HPDLHYBJGGKQIA-CQSZACIVSA-N 2 0 321.431 2.725 20 0 DFADRP CC[NH+]1CCN([C@@H]2CC[N@H+](Cc3csc(C)c3C)C2)CC1 ZINC000602463411 399451252 /nfs/dbraw/zinc/45/12/52/399451252.db2.gz GADLGKMWIDJJBB-QGZVFWFLSA-N 2 0 307.507 2.577 20 0 DFADRP COC(=O)c1cc(C[NH2+]CCCC[NH+]2CCC(C)CC2)[nH]c1C ZINC000602513141 399464553 /nfs/dbraw/zinc/46/45/53/399464553.db2.gz DEIDANRCCBKSES-UHFFFAOYSA-N 2 0 321.465 2.711 20 0 DFADRP COc1ccc(C[NH+]2CCC(OCCC[NH3+])CC2)c(Cl)c1 ZINC000346693460 284927938 /nfs/dbraw/zinc/92/79/38/284927938.db2.gz NEIZBPXVXYEOJC-UHFFFAOYSA-N 2 0 312.841 2.678 20 0 DFADRP COC(=O)c1[nH]c(C[NH2+]CCCCC[NH+]2CCCCC2)cc1C ZINC000602537992 399471012 /nfs/dbraw/zinc/47/10/12/399471012.db2.gz SLGZBQJGZWWPGH-UHFFFAOYSA-N 2 0 321.465 2.856 20 0 DFADRP C[C@@H](CCc1ccc(Br)cc1)[NH2+][C@@H](C)C1C[NH2+]C1 ZINC000422739529 296324389 /nfs/dbraw/zinc/32/43/89/296324389.db2.gz LQSLUGSIGNJKPT-RYUDHWBXSA-N 2 0 311.267 2.968 20 0 DFADRP c1ccc2c(c1)O[C@@]1(CC[NH2+]C1)C[C@H]2[NH2+]CC1CCSCC1 ZINC000422735737 296323674 /nfs/dbraw/zinc/32/36/74/296323674.db2.gz VBRBJXRRJDCPTQ-AEFFLSMTSA-N 2 0 318.486 2.975 20 0 DFADRP [NH3+]C[C@H]1CCC[C@H]1[NH2+]Cc1ccccc1OCC(F)(F)F ZINC000422736619 296323743 /nfs/dbraw/zinc/32/37/43/296323743.db2.gz YKCUZHJSBCRAQW-DGCLKSJQSA-N 2 0 302.340 2.845 20 0 DFADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]CCc1ccc2c(c1)CCO2 ZINC000422736022 296323806 /nfs/dbraw/zinc/32/38/06/296323806.db2.gz VNBJDOIEVJVQJX-CYBMUJFWSA-N 2 0 311.429 2.677 20 0 DFADRP C[C@H]([NH3+])[C@H]1COCC[C@@H]1[NH2+]CCc1c(Cl)cccc1Cl ZINC000422738500 296324142 /nfs/dbraw/zinc/32/41/42/296324142.db2.gz JMJJPTRFXHNUOD-NVBFEUDRSA-N 2 0 317.260 2.878 20 0 DFADRP C[C@H]([NH3+])[C@H]1COCC[C@@H]1[NH2+]CCc1ccccc1C(F)(F)F ZINC000422743578 296324870 /nfs/dbraw/zinc/32/48/70/296324870.db2.gz UHEOUOOEGBUNQF-LNSITVRQSA-N 2 0 316.367 2.590 20 0 DFADRP Cc1nc(C[NH3+])ccc1[C@@H](C)NC[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC000422743266 296324885 /nfs/dbraw/zinc/32/48/85/296324885.db2.gz RFESQBVCXDLTJO-ZBFHGGJFSA-N 2 0 304.482 2.620 20 0 DFADRP OCc1cccc(C[NH2+][C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)c1 ZINC000422743151 296324984 /nfs/dbraw/zinc/32/49/84/296324984.db2.gz QZAFIRPKIVHYQR-UYAOXDASSA-N 2 0 324.424 2.524 20 0 DFADRP Cc1nc(C[NH3+])ccc1[C@H](C)NC[C@H]1CCC[N@@H+](C(C)C)C1 ZINC000422743264 296324817 /nfs/dbraw/zinc/32/48/17/296324817.db2.gz RFESQBVCXDLTJO-GOEBONIOSA-N 2 0 304.482 2.620 20 0 DFADRP COc1ccccc1[C@H](C[NH2+][C@@H]1CCCCC[C@@H]1[NH3+])N(C)C ZINC000422748948 296325722 /nfs/dbraw/zinc/32/57/22/296325722.db2.gz WVPDYAWEPAGHFO-BBWFWOEESA-N 2 0 305.466 2.548 20 0 DFADRP C[C@@H](c1ccccc1)[NH+]1CCC(N[C@H]2C[NH2+]CC[C@H]2C)CC1 ZINC000422748406 296325806 /nfs/dbraw/zinc/32/58/06/296325806.db2.gz UJVCILPAADEIDI-GJYPPUQNSA-N 2 0 301.478 2.800 20 0 DFADRP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]Cc1cccc(-n2ccnc2)c1 ZINC000422747321 296325863 /nfs/dbraw/zinc/32/58/63/296325863.db2.gz PURSBJQIYBYLNM-OXJNMPFZSA-N 2 0 320.440 2.920 20 0 DFADRP CCOc1ccc(CC[NH2+][C@H]2CCC[C@@H]2C[NH3+])cc1OCC ZINC000422751857 296326434 /nfs/dbraw/zinc/32/64/34/296326434.db2.gz DDKUBMIDYOIRDI-CVEARBPZSA-N 2 0 306.450 2.744 20 0 DFADRP C[C@H]([NH3+])[C@@H](Cc1ccccc1)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000422751883 296326445 /nfs/dbraw/zinc/32/64/45/296326445.db2.gz DEPQUAGYJBMVEF-DZFGPLHGSA-N 2 0 323.484 2.809 20 0 DFADRP C[C@H]([NH3+])[C@H]1COCC[C@H]1[NH2+]Cc1cccc(C(F)(F)F)c1 ZINC000422751768 296326452 /nfs/dbraw/zinc/32/64/52/296326452.db2.gz CWRLEDOUXGMOSO-ZLKJLUDKSA-N 2 0 302.340 2.547 20 0 DFADRP COc1cccc([C@@H](CN[C@@H](C)[C@@H]2CCC[NH2+]2)[NH+]2CCCC2)c1 ZINC000422753636 296327009 /nfs/dbraw/zinc/32/70/09/296327009.db2.gz GDUXWWKZKCRPJR-ZYSHUDEJSA-N 2 0 317.477 2.562 20 0 DFADRP Fc1ccc(C2(C[NH2+]C3C[C@H]4CC[C@@H](C3)[NH2+]4)CCOCC2)cc1 ZINC000422753468 296327097 /nfs/dbraw/zinc/32/70/97/296327097.db2.gz DUESQQKXZOQHFV-JWTNVVGKSA-N 2 0 318.436 2.747 20 0 DFADRP C[C@H](CCC[NH3+])[NH2+][C@@H]1CCN(c2ccccc2OC(F)F)C1 ZINC000422754468 296327300 /nfs/dbraw/zinc/32/73/00/296327300.db2.gz FXNXPLPZBDFLQW-CHWSQXEVSA-N 2 0 313.392 2.584 20 0 DFADRP COC[C@H](CCC[NH3+])[NH2+]CCSc1ccc(Cl)cc1 ZINC000422759657 296327947 /nfs/dbraw/zinc/32/79/47/296327947.db2.gz FYBKNLYMLDAFRU-ZDUSSCGKSA-N 2 0 302.871 2.776 20 0 DFADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]C[C@H](c1ccccc1)N(C)C ZINC000422758715 296327959 /nfs/dbraw/zinc/32/79/59/296327959.db2.gz OFMBHUBWGKWIEW-IFXJQAMLSA-N 2 0 312.461 2.802 20 0 DFADRP C[C@@H]([NH3+])[C@H](Cc1ccccc1)NCC[N@H+](C)Cc1ccccc1 ZINC000422759292 296327988 /nfs/dbraw/zinc/32/79/88/296327988.db2.gz LBDCOSFQLFFQBU-XLIONFOSSA-N 2 0 311.473 2.667 20 0 DFADRP C[C@@H]([NH3+])[C@@H](Cc1ccccc1)NCC[N@H+](C)Cc1ccccc1 ZINC000422759293 296328103 /nfs/dbraw/zinc/32/81/03/296328103.db2.gz LBDCOSFQLFFQBU-YLJYHZDGSA-N 2 0 311.473 2.667 20 0 DFADRP Fc1cccc(C2(C[NH2+][C@@H]3CCOC[C@@H]3[C@@H]3CCC[NH2+]3)CC2)c1 ZINC000422756359 296327775 /nfs/dbraw/zinc/32/77/75/296327775.db2.gz CFMVPGHHNNOVSY-FGTMMUONSA-N 2 0 318.436 2.604 20 0 DFADRP CN(C)[C@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccccc1Cl ZINC000422761583 296328542 /nfs/dbraw/zinc/32/85/42/296328542.db2.gz MYCYIUKPIKBELX-DVJFUJMWSA-N 2 0 307.869 2.815 20 0 DFADRP CN(C)[C@@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccccc1Cl ZINC000422761575 296328588 /nfs/dbraw/zinc/32/85/88/296328588.db2.gz MYCYIUKPIKBELX-CKQIIDDLSA-N 2 0 307.869 2.815 20 0 DFADRP [NH3+][C@@H]1CCC[C@H]1[NH2+]CC1(c2cccc(Cl)c2)CCOCC1 ZINC000422762995 296328712 /nfs/dbraw/zinc/32/87/12/296328712.db2.gz OHWHDMSXRZNWAE-HZPDHXFCSA-N 2 0 308.853 2.858 20 0 DFADRP C[C@@H]([NH2+][C@@H](C)COc1ccccc1C(F)(F)F)C1C[NH2+]C1 ZINC000422763252 296328715 /nfs/dbraw/zinc/32/87/15/296328715.db2.gz OQONHXCWSCTAOT-WDEREUQCSA-N 2 0 302.340 2.670 20 0 DFADRP C[C@H]([NH3+])[C@H]1COCC[C@@H]1[NH2+]CC1(c2cccc(Cl)c2)CC1 ZINC000422767946 296329645 /nfs/dbraw/zinc/32/96/45/296329645.db2.gz NJNFYQCBJAEGCP-MAZHCROVSA-N 2 0 308.853 2.714 20 0 DFADRP C[C@H]([NH3+])[C@@H]1COCC[C@H]1[NH2+]CC1(c2cccc(Cl)c2)CC1 ZINC000422767949 296329760 /nfs/dbraw/zinc/32/97/60/296329760.db2.gz NJNFYQCBJAEGCP-VBNZEHGJSA-N 2 0 308.853 2.714 20 0 DFADRP COc1ccc([C@H](C[NH2+][C@H](C)C[C@@H](C)[NH3+])N2CCCCC2)cc1 ZINC000422769178 296329954 /nfs/dbraw/zinc/32/99/54/296329954.db2.gz UTEZNCGNAQIHTL-MDZRGWNJSA-N 2 0 319.493 2.938 20 0 DFADRP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]CC1(c2ccc(F)cc2)CCOCC1 ZINC000422771173 296330242 /nfs/dbraw/zinc/33/02/42/296330242.db2.gz XVKSFUCUXDTFRT-MAUKXSAKSA-N 2 0 320.452 2.981 20 0 DFADRP Cc1cccc([C@H](C)C[NH2+][C@@H]2CCOC[C@@H]2[C@H]2CCC[NH2+]2)c1 ZINC000422775950 296331029 /nfs/dbraw/zinc/33/10/29/296331029.db2.gz CRDPAYRBILRJCE-NXWXRZEISA-N 2 0 302.462 2.845 20 0 DFADRP C[C@H](CCCC[NH3+])[NH2+]CC1(c2ccc(F)cc2)CCOCC1 ZINC000422772583 296330609 /nfs/dbraw/zinc/33/06/09/296330609.db2.gz ZMFXGZUELNCWRL-OAHLLOKOSA-N 2 0 308.441 2.981 20 0 DFADRP CC[C@H](CCc1ccccc1)[NH2+]C[C@H](C)CN1CC[NH+](C)CC1 ZINC000623887229 399487651 /nfs/dbraw/zinc/48/76/51/399487651.db2.gz XSJDURCRBNNYCX-AZUAARDMSA-N 2 0 317.521 2.871 20 0 DFADRP CN(C)C(=O)c1cccc(CC[NH2+][C@H]2C[C@@H]([NH3+])c3ccccc32)c1 ZINC000422779483 296331672 /nfs/dbraw/zinc/33/16/72/296331672.db2.gz JASVOHCKLVSCKR-MOPGFXCFSA-N 2 0 323.440 2.665 20 0 DFADRP COc1ccc([C@H](C)[NH2+][C@@H](C)C2C[NH2+]C2)cc1Br ZINC000422781749 296332002 /nfs/dbraw/zinc/33/20/02/296332002.db2.gz JCZNFLBDPUGGKI-UWVGGRQHSA-N 2 0 313.239 2.716 20 0 DFADRP Cc1nc2ccccc2n1CC[NH2+][C@@H](Cc1ccccc1)[C@H](C)[NH3+] ZINC000422782651 296332061 /nfs/dbraw/zinc/33/20/61/296332061.db2.gz JWMPTAYWXVIJNA-KXBFYZLASA-N 2 0 322.456 2.893 20 0 DFADRP CCC[NH+]1CCC(N[C@@H]2CC[NH2+][C@@H](c3ccccc3)C2)CC1 ZINC000422784261 296332150 /nfs/dbraw/zinc/33/21/50/296332150.db2.gz NVNOVFSUUGCGEB-RTBURBONSA-N 2 0 301.478 2.944 20 0 DFADRP CCOC(=O)C1([C@H](C)[NH2+][C@@H](C)C2CCCCC2)CC[NH2+]CC1 ZINC000422785181 296332431 /nfs/dbraw/zinc/33/24/31/296332431.db2.gz PDAKSPJMMAATGW-GJZGRUSLSA-N 2 0 310.482 2.866 20 0 DFADRP C[C@H](C[NH2+][C@@H]1CCOC[C@H]1[C@@H]1CCC[NH2+]1)Cc1cccs1 ZINC000422786608 296332664 /nfs/dbraw/zinc/33/26/64/296332664.db2.gz SVFAQBVHWNPXSJ-QSPRXWTASA-N 2 0 308.491 2.673 20 0 DFADRP Cc1cc(C)cc(CC[NH2+][C@@H]2CCOC[C@@H]2[C@H]2CCC[NH2+]2)c1 ZINC000422788664 296332868 /nfs/dbraw/zinc/33/28/68/296332868.db2.gz SODMTKKYBNUUAY-GUDVDZBRSA-N 2 0 302.462 2.593 20 0 DFADRP C[C@H](CCCC[NH3+])[NH2+]C[C@H](CO)Cc1c(F)cccc1Cl ZINC000422789154 296332957 /nfs/dbraw/zinc/33/29/57/296332957.db2.gz BBVUYOYXXWNSAO-CHWSQXEVSA-N 2 0 316.848 2.737 20 0 DFADRP C[C@@H](CCc1ccc2c(c1)OCO2)[NH2+]C1CCC(C[NH3+])CC1 ZINC000422792020 296333697 /nfs/dbraw/zinc/33/36/97/296333697.db2.gz ZABAJNNIIKECAP-JEYLPNPQSA-N 2 0 304.434 2.844 20 0 DFADRP C[C@H](C[NH2+]C1CC[NH2+]CC1)Oc1cccc(Br)c1 ZINC000422794836 296334035 /nfs/dbraw/zinc/33/40/35/296334035.db2.gz GZBOCAVBHYSTDQ-LLVKDONJSA-N 2 0 313.239 2.558 20 0 DFADRP CCOC(=O)C1([C@H](C)[NH2+][C@H]2CCc3ccccc32)CC[NH2+]CC1 ZINC000422795774 296334407 /nfs/dbraw/zinc/33/44/07/296334407.db2.gz IBPFAISKNQHJOV-YOEHRIQHSA-N 2 0 316.445 2.585 20 0 DFADRP CC(C)c1ccc([C@H]([NH3+])CNC(=O)c2ccc3c[nH+]cn3c2)cc1 ZINC000422796070 296334483 /nfs/dbraw/zinc/33/44/83/296334483.db2.gz ILSJVRYBKLQBLJ-GOSISDBHSA-N 2 0 322.412 2.888 20 0 DFADRP CC[C@@H](CN[C@@H](C)[C@@H]1CCC[NH2+]1)[N@@H+]1CCc2ccccc2C1 ZINC000422801470 296335555 /nfs/dbraw/zinc/33/55/55/296335555.db2.gz BZKJSABIYSSHRS-SNRMKQJTSA-N 2 0 301.478 2.553 20 0 DFADRP C[C@H]([NH3+])[C@H]1COCC[C@@H]1[NH2+]CC1CCC(C(F)(F)F)CC1 ZINC000422802449 296335599 /nfs/dbraw/zinc/33/55/99/296335599.db2.gz BMMASVNHRUGLEM-MGYRSQIZSA-N 2 0 308.388 2.697 20 0 DFADRP C[C@H]([NH3+])[C@@H]1COCC[C@H]1[NH2+]Cc1ccc(C(F)(F)F)cc1 ZINC000422797252 296334806 /nfs/dbraw/zinc/33/48/06/296334806.db2.gz LRWOZHABEDEBOU-LEWSCRJBSA-N 2 0 302.340 2.547 20 0 DFADRP COc1ccc(O[C@H](C)C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)cc1 ZINC000422796879 296334936 /nfs/dbraw/zinc/33/49/36/296334936.db2.gz ZIJRRAMNBQAOLT-DQEVTTJGSA-N 2 0 318.461 2.973 20 0 DFADRP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1[NH2+]Cc1ccc(C(F)(F)F)cc1 ZINC000422797250 296334948 /nfs/dbraw/zinc/33/49/48/296334948.db2.gz LRWOZHABEDEBOU-BPNCWPANSA-N 2 0 302.340 2.547 20 0 DFADRP CCN(CC)[C@H](C[NH2+]C1CCC([NH3+])CC1)c1cccc(OC)c1 ZINC000422798850 296335175 /nfs/dbraw/zinc/33/51/75/296335175.db2.gz TVLPSMJNEFOBIH-FAFZWHIHSA-N 2 0 319.493 2.938 20 0 DFADRP C[C@H](C[NH2+][C@@H](C)C[C@H](C)[NH3+])Oc1ccc(Br)cc1 ZINC000422799062 296335231 /nfs/dbraw/zinc/33/52/31/296335231.db2.gz UWQSNWRPIZLXOX-SDDRHHMPSA-N 2 0 315.255 2.932 20 0 DFADRP [NH3+]CC1CCC([NH2+][C@H](CN2CCCC2)c2ccccc2)CC1 ZINC000422800602 296335241 /nfs/dbraw/zinc/33/52/41/296335241.db2.gz CKADLBGUQBBAHA-NKELODKYSA-N 2 0 301.478 2.931 20 0 DFADRP c1ccc2c(c1)CCC[C@@H]2C[NH2+][C@@H]1CCOC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000422805326 296336179 /nfs/dbraw/zinc/33/61/79/296336179.db2.gz LXFWBFZBUQAWRI-RSPOEFSDSA-N 2 0 314.473 2.853 20 0 DFADRP [NH3+][C@@H]1C[C@H](NCC[N@@H+]2CCc3ccccc3C2)c2ccccc21 ZINC000422805649 296336191 /nfs/dbraw/zinc/33/61/91/296336191.db2.gz MKZJXQIKNKCMBL-UXHICEINSA-N 2 0 307.441 2.779 20 0 DFADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]Cc1cccc(C[NH+](C)C)c1 ZINC000422811315 296337350 /nfs/dbraw/zinc/33/73/50/296337350.db2.gz UCPJJTJJWAXPLU-AWEZNQCLSA-N 3 0 312.461 2.761 20 0 DFADRP CC[C@@H]1Oc2cc([C@H](C)[NH2+][C@@H](C)C[C@@H](C)[NH3+])ccc2NC1=O ZINC000422809908 296336929 /nfs/dbraw/zinc/33/69/29/296336929.db2.gz MOZKBMOMFHAXNO-YXMPFFBPSA-N 2 0 305.422 2.573 20 0 DFADRP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+]CCc1nc(C(F)(F)F)cs1 ZINC000422809138 296336973 /nfs/dbraw/zinc/33/69/73/296336973.db2.gz PJHZRPWROBNMJF-ZJUUUORDSA-N 2 0 307.385 2.954 20 0 DFADRP c1ccc(C2(C[NH2+][C@@H]3CCOC[C@H]3[C@H]3CCC[NH2+]3)CCC2)cc1 ZINC000422810835 296337264 /nfs/dbraw/zinc/33/72/64/296337264.db2.gz NYUBISKKGAKSIC-IPMKNSEASA-N 2 0 314.473 2.855 20 0 DFADRP c1ccc(C2(C[NH2+][C@@H]3CCOC[C@H]3[C@@H]3CCC[NH2+]3)CCC2)cc1 ZINC000422810833 296337331 /nfs/dbraw/zinc/33/73/31/296337331.db2.gz NYUBISKKGAKSIC-GBESFXJTSA-N 2 0 314.473 2.855 20 0 DFADRP CC[C@H](NCCC[N@@H+]1CCc2ccccc2C1)[C@H]1CCCC[NH2+]1 ZINC000422807021 296336636 /nfs/dbraw/zinc/33/66/36/296336636.db2.gz LOXRJYYPRCDPFI-VQTJNVASSA-N 2 0 315.505 2.945 20 0 DFADRP COC[C@@H](CCC[NH3+])[NH2+]Cc1c(OC)ccc2ccccc21 ZINC000422812910 296337675 /nfs/dbraw/zinc/33/76/75/296337675.db2.gz YIOCIDJQOFBMQP-OAHLLOKOSA-N 2 0 302.418 2.692 20 0 DFADRP C[C@@H]1C[N@H+](Cc2cccc(C(=O)Nc3ccccc3)c2)C[C@H]1C[NH3+] ZINC000631842156 399505829 /nfs/dbraw/zinc/50/58/29/399505829.db2.gz WHQKTDGYLDREMP-CRAIPNDOSA-N 2 0 323.440 2.966 20 0 DFADRP CC[C@@H]1Oc2cc([C@H](C)[NH2+][C@@H](C)CCCC[NH3+])ccc2NC1=O ZINC000422816116 296338179 /nfs/dbraw/zinc/33/81/79/296338179.db2.gz ZCBJBSCIZGJXFI-XEZPLFJOSA-N 2 0 319.449 2.964 20 0 DFADRP C[C@@H](NCCC[N@@H+]1CCc2ccccc2C1)[C@H]1CCCC[NH2+]1 ZINC000422812181 296337558 /nfs/dbraw/zinc/33/75/58/296337558.db2.gz VSYUQLPWHNCURF-VQIMIIECSA-N 2 0 301.478 2.555 20 0 DFADRP CN(CC[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1)Cc1ccc(F)cc1 ZINC000422820164 296339096 /nfs/dbraw/zinc/33/90/96/296339096.db2.gz PFMMJFHKKDCCBV-QRVBRYPASA-N 2 0 319.468 2.768 20 0 DFADRP C[C@H](CCC[NH3+])[NH2+]Cc1ccc(COCC(F)(F)F)cc1 ZINC000422816118 296338381 /nfs/dbraw/zinc/33/83/81/296338381.db2.gz ZCFDWMSCEGACCN-GFCCVEGCSA-N 2 0 304.356 2.983 20 0 DFADRP FC(F)(F)COCc1ccc(C[NH2+][C@@H]2CCC[NH2+]CC2)cc1 ZINC000422816794 296338673 /nfs/dbraw/zinc/33/86/73/296338673.db2.gz BKMYNSTYGGBMLO-OAHLLOKOSA-N 2 0 316.367 2.997 20 0 DFADRP [NH3+]C[C@H]1CCC[C@H]1[NH2+]CC1CC[NH+](Cc2cccs2)CC1 ZINC000422823874 296339801 /nfs/dbraw/zinc/33/98/01/296339801.db2.gz FIOVAMJXMRBDBU-NVXWUHKLSA-N 3 0 307.507 2.677 20 0 DFADRP CCC[N@H+](CC)CCN[C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422823574 296339808 /nfs/dbraw/zinc/33/98/08/296339808.db2.gz LUAMPNVPYLCLBX-MJGOQNOKSA-N 2 0 317.477 2.564 20 0 DFADRP C[NH2+]CC1CC[NH+](Cc2ccc(OC(F)F)c(F)c2)CC1 ZINC000346997180 284998691 /nfs/dbraw/zinc/99/86/91/284998691.db2.gz CLODFSPYVRREJG-UHFFFAOYSA-N 2 0 302.340 2.859 20 0 DFADRP [NH3+]C[C@@H]1CCC[C@H]1[NH2+]Cc1ccc(COCC(F)(F)F)cc1 ZINC000422826656 296339936 /nfs/dbraw/zinc/33/99/36/296339936.db2.gz RGHGLWHZVVWDTG-LSDHHAIUSA-N 2 0 316.367 2.983 20 0 DFADRP CC(C)C[NH+]1CCC(N[C@@H](Cc2ccccc2)[C@H](C)[NH3+])CC1 ZINC000422821168 296339381 /nfs/dbraw/zinc/33/93/81/296339381.db2.gz USASMBVFGFPMEN-LPHOPBHVSA-N 2 0 303.494 2.655 20 0 DFADRP Cc1ccc([C@@H](CN[C@H]2CCC[NH2+]CC2)[NH+]2CCCC2)cc1 ZINC000422830980 296341068 /nfs/dbraw/zinc/34/10/68/296341068.db2.gz RUXCUCLJTHGZJJ-RBUKOAKNSA-N 2 0 301.478 2.864 20 0 DFADRP CC(C)[C@H](C[NH2+][C@@H]1CCOC[C@H]1[C@H]1CCC[NH2+]1)c1cccnc1 ZINC000422830961 296341188 /nfs/dbraw/zinc/34/11/88/296341188.db2.gz JDBUACWKZDWAHX-INDMIFKZSA-N 2 0 317.477 2.568 20 0 DFADRP C[C@H](C[NH2+]C1CC[NH2+]CC1)Oc1ccccc1Br ZINC000422827909 296340355 /nfs/dbraw/zinc/34/03/55/296340355.db2.gz AEZWPNPWIPCGLS-LLVKDONJSA-N 2 0 313.239 2.558 20 0 DFADRP C[C@H](N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C)[C@@H]1CCC[NH2+]1 ZINC000422828392 296340369 /nfs/dbraw/zinc/34/03/69/296340369.db2.gz APYVSWHYAPMFDO-JFRXWTBNSA-N 2 0 301.478 2.627 20 0 DFADRP [NH3+][C@@H](CC1CCCCC1)C(=O)Nc1ccc2c(c1)C[NH2+]CC2 ZINC000422832337 296341367 /nfs/dbraw/zinc/34/13/67/296341367.db2.gz FTHJYGKKRCPXSP-KRWDZBQOSA-N 2 0 301.434 2.569 20 0 DFADRP c1csc(C[NH+]2CCC(C[NH2+]C3C[C@H]4CC[C@@H](C3)[NH2+]4)CC2)c1 ZINC000422832130 296341378 /nfs/dbraw/zinc/34/13/78/296341378.db2.gz UOJUBPWWQVIBSO-SJPCQFCGSA-N 3 0 319.518 2.833 20 0 DFADRP CC[C@@H](N[C@@H]1CCC[N@H+](Cc2ccccc2)C1)[C@@H]1CCC[NH2+]1 ZINC000422834057 296341625 /nfs/dbraw/zinc/34/16/25/296341625.db2.gz NGDAMSRRFTWZDK-QRVBRYPASA-N 2 0 301.478 2.771 20 0 DFADRP C[C@H](NC[C@@H]1CCC[N@H+](Cc2cccs2)C1)[C@H]1CCC[NH2+]1 ZINC000422834951 296341700 /nfs/dbraw/zinc/34/17/00/296341700.db2.gz HZWQVDBPUJQBGD-YQQAZPJKSA-N 2 0 307.507 2.690 20 0 DFADRP CC[NH+](CC)[C@H](CN[C@@H](C)[C@H]1CC[NH2+]C1)Cc1ccccc1 ZINC000422836471 296342096 /nfs/dbraw/zinc/34/20/96/296342096.db2.gz RFHRPANSTWBTTD-WDSOQIARSA-N 2 0 303.494 2.527 20 0 DFADRP [NH3+][C@H]1CCCCC[C@H]1[NH2+]CC1(N2CCSCC2)CCCC1 ZINC000422844088 296343499 /nfs/dbraw/zinc/34/34/99/296343499.db2.gz KTUPTJDIHXDOAR-JKSUJKDBSA-N 2 0 311.539 2.598 20 0 DFADRP C[C@@H]([NH3+])C[C@@H](C)[NH2+]Cc1ccc(NC(=O)c2ccncc2)cc1 ZINC000422844562 296343772 /nfs/dbraw/zinc/34/37/72/296343772.db2.gz MEZLTBWFJXTNST-ZIAGYGMSSA-N 2 0 312.417 2.549 20 0 DFADRP COc1ccccc1N1CC[C@H](C[NH2+][C@@H](C)[C@H]2CCCC[NH2+]2)C1 ZINC000422853309 296345404 /nfs/dbraw/zinc/34/54/04/296345404.db2.gz RXRSKQPKNHGYEB-GVDBMIGSSA-N 2 0 317.477 2.642 20 0 DFADRP Cc1cc(C)n(-c2ccc(CC[NH2+][C@H]3CCC[C@@H]3C[NH3+])cc2)n1 ZINC000422856554 296345688 /nfs/dbraw/zinc/34/56/88/296345688.db2.gz GHEOGYNTDNLANH-MJGOQNOKSA-N 2 0 312.461 2.749 20 0 DFADRP Cc1c(Cl)cccc1NC(=O)CC[NH2+][C@@H]1CCC[C@@H]1C[NH3+] ZINC000422865349 296347049 /nfs/dbraw/zinc/34/70/49/296347049.db2.gz XWFDGJIHGAYOFO-IUODEOHRSA-N 2 0 309.841 2.694 20 0 DFADRP c1cn(-c2ccccc2)nc1CC[NH2+][C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000422857597 296345934 /nfs/dbraw/zinc/34/59/34/296345934.db2.gz HBQFJBSWUTVFKI-VAMGGRTRSA-N 2 0 324.472 2.925 20 0 DFADRP [NH3+][C@@H]1C[C@H]([NH2+]C2CCN(CC(F)(F)F)CC2)c2ccccc21 ZINC000422859152 296346106 /nfs/dbraw/zinc/34/61/06/296346106.db2.gz JQPSCCFVLSEZQC-CABCVRRESA-N 2 0 313.367 2.748 20 0 DFADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+][C@@H]1CCN(c2c(F)cccc2F)C1 ZINC000422871236 296347990 /nfs/dbraw/zinc/34/79/90/296347990.db2.gz YLQLBTPOQZUZPL-IOASZLSFSA-N 2 0 309.404 2.521 20 0 DFADRP CO[C@H](C[NH2+]CC1(SC)CC[NH+](C)CC1)Cc1ccccc1 ZINC000602667284 399511281 /nfs/dbraw/zinc/51/12/81/399511281.db2.gz PKDXKUXZONGLFS-KRWDZBQOSA-N 2 0 322.518 2.661 20 0 DFADRP COc1cc([C@H](C)[NH2+]C2CCC(C[NH3+])CC2)cc(OC)c1OC ZINC000422878608 296349191 /nfs/dbraw/zinc/34/91/91/296349191.db2.gz JJGLYTDKHVGQFV-OPFPJEHXSA-N 2 0 322.449 2.881 20 0 DFADRP C[C@@H]1C[C@@H](C)C[NH+](Cc2ccc(CN[C@H]3CC[NH2+]C3)cc2)C1 ZINC000422874919 296348831 /nfs/dbraw/zinc/34/88/31/296348831.db2.gz DPLJBQPGPIFJFI-MDZRGWNJSA-N 2 0 301.478 2.616 20 0 DFADRP Cc1ccc([C@H](C[NH2+][C@@H]2CCCC[C@H]2C[NH3+])N2CCCC2)o1 ZINC000422876985 296348932 /nfs/dbraw/zinc/34/89/32/296348932.db2.gz HCUIVISAZFEWIJ-BBWFWOEESA-N 2 0 305.466 2.832 20 0 DFADRP CC[N@H+](CCN[C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)C(C)C ZINC000422883877 296350008 /nfs/dbraw/zinc/35/00/08/296350008.db2.gz VUXALTNBLLUYTR-IEBWSBKVSA-N 2 0 317.477 2.562 20 0 DFADRP C[C@H]([NH3+])[C@@H](Cc1ccccc1)NCC[N@H+]1[C@H](C)CCC[C@@H]1C ZINC000422883130 296350030 /nfs/dbraw/zinc/35/00/30/296350030.db2.gz BQTDQQDTRLNGIA-MJQMVNBJSA-N 2 0 303.494 2.797 20 0 DFADRP C[C@H]([NH3+])[C@H](Cc1ccccc1)NCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000422884341 296350112 /nfs/dbraw/zinc/35/01/12/296350112.db2.gz RWBBFLXSMLQZIR-DMUMMCEESA-N 2 0 317.521 2.903 20 0 DFADRP CCOCCC1(C[NH2+][C@@H]2CCOC[C@H]2[C@@H]2CCC[NH2+]2)CCCC1 ZINC000422885514 296350502 /nfs/dbraw/zinc/35/05/02/296350502.db2.gz GWFJCBQLCVDIOY-OKZBNKHCSA-N 2 0 324.509 2.720 20 0 DFADRP C[C@H]([NH3+])[C@@H]1COCC[C@H]1[NH2+]CC1(c2ccc(F)cc2)CCCC1 ZINC000422880392 296349391 /nfs/dbraw/zinc/34/93/91/296349391.db2.gz OAHAKSDVKYKBOX-JCGIZDLHSA-N 2 0 320.452 2.979 20 0 DFADRP COc1ccc(CC[NH2+][C@@H]2CCC[C@H]2C[NH3+])cc1OC(F)F ZINC000422884870 296350607 /nfs/dbraw/zinc/35/06/07/296350607.db2.gz XUKKXGWELZQTIF-QWHCGFSZSA-N 2 0 314.376 2.556 20 0 DFADRP [NH3+]C[C@H]1CCC[C@H]1[NH2+]Cc1ccc(N2CCCCCC2)nc1 ZINC000422888208 296351013 /nfs/dbraw/zinc/35/10/13/296351013.db2.gz CCWLAKLLQNCIDW-IAGOWNOFSA-N 2 0 302.466 2.679 20 0 DFADRP CC[N@@H+]1CC[C@H]([NH2+][C@@H]2CCN(c3ccccc3OC)C2)[C@H](C)C1 ZINC000119646290 195008765 /nfs/dbraw/zinc/00/87/65/195008765.db2.gz CZBAVRJXOMXGON-ZACQAIPSSA-N 2 0 317.477 2.594 20 0 DFADRP C[C@H]([NH3+])c1ccc(CNC(=O)c2ccccc2C[NH+](C)C)cc1 ZINC000422885049 296350655 /nfs/dbraw/zinc/35/06/55/296350655.db2.gz GHQUSSBQMLQGCQ-AWEZNQCLSA-N 2 0 311.429 2.698 20 0 DFADRP C[C@@H](NC1[C@H](C)C[NH+](Cc2ccccc2)C[C@H]1C)[C@@H]1CCC[NH2+]1 ZINC000422887057 296350826 /nfs/dbraw/zinc/35/08/26/296350826.db2.gz JXTSWTJYQZGEDB-MTNOOBJLSA-N 2 0 315.505 2.873 20 0 DFADRP COc1ccc(C)cc1C1(C[NH2+][C@H](C)C[C@@H](C)[NH3+])CCOCC1 ZINC000422901883 296353103 /nfs/dbraw/zinc/35/31/03/296353103.db2.gz SQYJXTVOPKCNEP-HZPDHXFCSA-N 2 0 320.477 2.767 20 0 DFADRP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]C[C@H]1CCN(c2ccc(F)cc2)C1 ZINC000422901254 296353208 /nfs/dbraw/zinc/35/32/08/296353208.db2.gz RSSPATGPTFGVPQ-RVKKMQEKSA-N 2 0 305.441 2.759 20 0 DFADRP CC[NH+](CC)CCOc1ccccc1C[NH2+][C@@H]1CCC[C@H]1C[NH3+] ZINC000422897343 296352519 /nfs/dbraw/zinc/35/25/19/296352519.db2.gz ZQMYHNDQSOQMQX-FUHWJXTLSA-N 3 0 319.493 2.624 20 0 DFADRP COCCOc1cccc(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)c1 ZINC000422904691 296353777 /nfs/dbraw/zinc/35/37/77/296353777.db2.gz XVTYMPLMPKRFPR-GBESFXJTSA-N 2 0 318.461 2.722 20 0 DFADRP C[C@H]1CC[NH2+]CC[C@@H]1[NH2+]CCCc1nc2c(s1)CCCC2 ZINC000422906106 296354165 /nfs/dbraw/zinc/35/41/65/296354165.db2.gz JDHJOPHWWCQBEX-KBPBESRZSA-N 2 0 307.507 2.932 20 0 DFADRP CC[C@H](NCc1cccc(OCC[NH+](C)C)c1)[C@H]1CCCC[NH2+]1 ZINC000422905812 296354265 /nfs/dbraw/zinc/35/42/65/296354265.db2.gz ZLRAXDMVISKDNG-RBUKOAKNSA-N 2 0 319.493 2.637 20 0 DFADRP Fc1cccc(CCC[NH2+][C@@H]2CCOC[C@H]2[C@@H]2CCC[NH2+]2)c1 ZINC000422910458 296354536 /nfs/dbraw/zinc/35/45/36/296354536.db2.gz QNQLUQJTYPTWGA-OKZBNKHCSA-N 2 0 306.425 2.505 20 0 DFADRP COc1ccc(COCCC[NH2+]C2CCC(C[NH3+])CC2)cc1 ZINC000422905337 296353614 /nfs/dbraw/zinc/35/36/14/296353614.db2.gz HWAUBTZFVOEJBK-UHFFFAOYSA-N 2 0 306.450 2.709 20 0 DFADRP CC(C)C(=O)Nc1ccc(C[NH2+][C@H]2CC[N@H+](C)C[C@@H]2C)cc1 ZINC000119823440 195044563 /nfs/dbraw/zinc/04/45/63/195044563.db2.gz GRNTZCUAKWSGDV-YOEHRIQHSA-N 2 0 303.450 2.711 20 0 DFADRP C[N@@H+]1CCC[C@H]2CN(C(=O)c3ccc(-c4c[nH]cn4)cc3)CC[C@@H]21 ZINC000631881525 399516483 /nfs/dbraw/zinc/51/64/83/399516483.db2.gz BQGFDCCJLSMVRD-WMZOPIPTSA-N 2 0 324.428 2.633 20 0 DFADRP [NH3+]C[C@@H]1CCC[C@H]1[NH2+]CCc1nc2ccccc2n1C(F)F ZINC000422911204 296354919 /nfs/dbraw/zinc/35/49/19/296354919.db2.gz KHEVIUUXWWSHOP-NWDGAFQWSA-N 2 0 308.376 2.691 20 0 DFADRP COC[C@H](CCC[NH3+])[NH2+][C@H](C)c1nc(-c2ccncc2)cs1 ZINC000422914844 296355199 /nfs/dbraw/zinc/35/51/99/296355199.db2.gz WFNVSORQTDKGRD-OCCSQVGLSA-N 2 0 320.462 2.610 20 0 DFADRP C[C@@H]1C[NH+](CCCC[NH2+][C@@H]2C[C@@H]([NH3+])c3ccccc32)C[C@@H](C)O1 ZINC000422913701 296355209 /nfs/dbraw/zinc/35/52/09/296355209.db2.gz QOHFUKABGIIKSM-OHDICMOHSA-N 3 0 317.477 2.610 20 0 DFADRP COc1cc(OC)cc(OCCC[NH2+][C@H]2CCCCC[C@H]2[NH3+])c1 ZINC000422929024 296356553 /nfs/dbraw/zinc/35/65/53/296356553.db2.gz NYFNCJCQPJFKTG-MSOLQXFVSA-N 2 0 322.449 2.722 20 0 DFADRP COc1cc(OC)cc(OCCC[NH2+]C2CCC(C[NH3+])CC2)c1 ZINC000422929824 296356808 /nfs/dbraw/zinc/35/68/08/296356808.db2.gz RQBHXSFVUVPNDT-UHFFFAOYSA-N 2 0 322.449 2.580 20 0 DFADRP Cc1cccc(C)c1CC[NH2+][C@@H]1CCOC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000422933778 296357057 /nfs/dbraw/zinc/35/70/57/296357057.db2.gz DTMRYGITYKBUMG-GBESFXJTSA-N 2 0 302.462 2.593 20 0 DFADRP Cc1cccc(C)c1CC[NH2+][C@@H]1CCOC[C@H]1[C@H]1CCC[NH2+]1 ZINC000422933780 296357224 /nfs/dbraw/zinc/35/72/24/296357224.db2.gz DTMRYGITYKBUMG-IPMKNSEASA-N 2 0 302.462 2.593 20 0 DFADRP [NH3+][C@H]1CCCCC[C@H]1[NH2+]CCCc1ccc2c(c1)OCCO2 ZINC000422928512 296356293 /nfs/dbraw/zinc/35/62/93/296356293.db2.gz KVZUEEXFSPOZGE-JKSUJKDBSA-N 2 0 304.434 2.640 20 0 DFADRP CC[C@@H]([NH2+]CCCOc1cc(OC)cc(OC)c1)[C@@H]1CCC[NH2+]1 ZINC000422926978 296356392 /nfs/dbraw/zinc/35/63/92/296356392.db2.gz FIWPADSDUGOFSA-MSOLQXFVSA-N 2 0 322.449 2.593 20 0 DFADRP CCCCNC(=O)c1ccc(C[NH2+][C@H]2CCCC[C@@H]2C[NH3+])cc1 ZINC000422944716 296358925 /nfs/dbraw/zinc/35/89/25/296358925.db2.gz SLEXZVRKZMWEHV-MSOLQXFVSA-N 2 0 317.477 2.824 20 0 DFADRP C[C@@H](CCCC[NH3+])[NH2+]C1CCN(C(=O)NC2CCCCC2)CC1 ZINC000422952369 296359974 /nfs/dbraw/zinc/35/99/74/296359974.db2.gz AUHJPTGWVWZEHJ-HNNXBMFYSA-N 2 0 324.513 2.600 20 0 DFADRP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1[NH2+]CCc1cccc(Cl)c1Cl ZINC000422950112 296359565 /nfs/dbraw/zinc/35/95/65/296359565.db2.gz VHSOEYXOAFAEKK-JKOKRWQUSA-N 2 0 317.260 2.878 20 0 DFADRP COC[C@H](CCC[NH3+])[NH2+]CCc1cccc(Cl)c1Cl ZINC000422949591 296359629 /nfs/dbraw/zinc/35/96/29/296359629.db2.gz UKJUIAZNZUOHIU-LBPRGKRZSA-N 2 0 305.249 2.879 20 0 DFADRP FC(F)(F)c1cccc(OCC[NH2+][C@@H]2CCC[NH2+]CC2)c1 ZINC000422951549 296359907 /nfs/dbraw/zinc/35/99/07/296359907.db2.gz YZJITXYAZYXPLL-CYBMUJFWSA-N 2 0 302.340 2.816 20 0 DFADRP CC[C@H](NCC1([NH+]2CCCCC2)CCOCC1)[C@@H]1CCCC[NH2+]1 ZINC000422951842 296359955 /nfs/dbraw/zinc/35/99/55/296359955.db2.gz AIZLTRXTEWSCMI-ROUUACIJSA-N 2 0 323.525 2.532 20 0 DFADRP C[C@@H]([NH3+])C[C@H](C)[NH2+]CCc1nc(-c2ccc(Cl)cc2)no1 ZINC000422955387 296360762 /nfs/dbraw/zinc/36/07/62/296360762.db2.gz JDTYXXWFMYBYRD-MNOVXSKESA-N 2 0 308.813 2.648 20 0 DFADRP FC(F)(F)c1ccccc1OCC[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000422958345 296360973 /nfs/dbraw/zinc/36/09/73/296360973.db2.gz PIJXUYZLLCCFJS-GFCCVEGCSA-N 2 0 302.340 2.816 20 0 DFADRP C[C@@H](Nc1cccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1)[C@H]1CCC[NH2+]1 ZINC000422958902 296361088 /nfs/dbraw/zinc/36/10/88/296361088.db2.gz ZHDFPDQQIZARQS-YYAJDYIMSA-N 2 0 317.477 2.848 20 0 DFADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]C[C@@H](c1ccccc1)C(C)(C)CO ZINC000422962623 296361737 /nfs/dbraw/zinc/36/17/37/296361737.db2.gz CXNLHWFNPGAYPP-BPQIPLTHSA-N 2 0 304.478 2.766 20 0 DFADRP C[C@H](CCCC[NH3+])[NH2+]C1CCN([C@H](C)c2ccncc2)CC1 ZINC000422965531 296362102 /nfs/dbraw/zinc/36/21/02/296362102.db2.gz LIIJDRSJHKMVFR-HZPDHXFCSA-N 2 0 304.482 2.714 20 0 DFADRP C[C@@H](Nc1cccc(C[NH+]2CCSCC2)c1)[C@@H]1CCC[NH2+]1 ZINC000422958938 296361142 /nfs/dbraw/zinc/36/11/42/296361142.db2.gz ZPUSFXFEAQQBIB-PBHICJAKSA-N 2 0 305.491 2.788 20 0 DFADRP C[C@@H](CCC[NH3+])[NH2+]Cc1ccc(N2CCc3ccccc3C2)nc1 ZINC000422967024 296362667 /nfs/dbraw/zinc/36/26/67/296362667.db2.gz BECRSEVVZDDXFD-INIZCTEOSA-N 2 0 324.472 2.861 20 0 DFADRP C[C@H]1CC[NH2+]CC[C@@H]1[NH2+]Cc1ccc(OC2CCCC2)nc1 ZINC000422971200 296363002 /nfs/dbraw/zinc/36/30/02/296363002.db2.gz IGNGKCJSHQYQQU-YOEHRIQHSA-N 2 0 303.450 2.881 20 0 DFADRP CCOC(=O)C1([C@@H](C)[NH2+][C@H]2CCCc3occc32)CC[NH2+]CC1 ZINC000422969066 296362455 /nfs/dbraw/zinc/36/24/55/296362455.db2.gz YOGSYLSQOJKSLQ-HIFRSBDPSA-N 2 0 320.433 2.568 20 0 DFADRP CCC(CC)[C@H](CN[C@H](C)c1ccc(C[NH3+])nc1C)[NH+](C)C ZINC000422968598 296362517 /nfs/dbraw/zinc/36/25/17/296362517.db2.gz XGSFSLLCJDHNTE-ACJLOTCBSA-N 2 0 306.498 2.866 20 0 DFADRP [NH3+][C@@H]1C[C@H]([NH2+][C@@H](CO)Cc2c[nH]c3ccccc23)c2ccccc21 ZINC000422978751 296363688 /nfs/dbraw/zinc/36/36/88/296363688.db2.gz KMFDPSOWBKLBCE-DJKXOVBDSA-N 2 0 321.424 2.806 20 0 DFADRP COc1cccc([C@@H](C[NH2+][C@H](C)C2CC[NH+](C)CC2)OC)c1 ZINC000624031279 399529844 /nfs/dbraw/zinc/52/98/44/399529844.db2.gz BQXIKARIOVXACT-RDTXWAMCSA-N 2 0 306.450 2.703 20 0 DFADRP Cc1cc(C)c(CC[NH2+][C@@H]2CCOC[C@@H]2[C@@H]2CCC[NH2+]2)c(C)c1 ZINC000422997142 296365162 /nfs/dbraw/zinc/36/51/62/296365162.db2.gz AOVIRLLQXWNPBE-HSALFYBXSA-N 2 0 316.489 2.901 20 0 DFADRP CCc1nn(C)c(CC)c1C[NH2+][C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1 ZINC000422997196 296365197 /nfs/dbraw/zinc/36/51/97/296365197.db2.gz AWFUNIZPMYMYHH-BMGDILEWSA-N 2 0 318.509 2.945 20 0 DFADRP C[C@@H](CCC[NH3+])[NH2+]C[C@@H](CO)Cc1ccc(C(F)(F)F)cc1 ZINC000422989413 296364484 /nfs/dbraw/zinc/36/44/84/296364484.db2.gz LMXDHKAYIXOWMS-JSGCOSHPSA-N 2 0 318.383 2.573 20 0 DFADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+][C@H](CCO)C1CCCCC1 ZINC000422990093 296364598 /nfs/dbraw/zinc/36/45/98/296364598.db2.gz BMLKPEZSLQPZKW-RDTXWAMCSA-N 2 0 305.466 2.831 20 0 DFADRP C([NH2+][C@@H]1CCOC[C@@H]1[C@@H]1CCC[NH2+]1)C1C2CC3CC(C2)CC1C3 ZINC000422990207 296364659 /nfs/dbraw/zinc/36/46/59/296364659.db2.gz NGNBTGKXMFZPJC-AOISNUHRSA-N 2 0 318.505 2.805 20 0 DFADRP [NH3+][C@H]1CCCCC[C@@H]1[NH2+]CCOc1ncccc1C(F)(F)F ZINC000422991308 296364725 /nfs/dbraw/zinc/36/47/25/296364725.db2.gz AVLLKGBUYTUFIE-STQMWFEESA-N 2 0 317.355 2.729 20 0 DFADRP Cc1cc(C[C@@H](C)[NH2+][C@H](C)CCC[NH3+])n(-c2ccccc2)n1 ZINC000422994452 296364810 /nfs/dbraw/zinc/36/48/10/296364810.db2.gz HRKOFOPSJUCHPJ-HUUCEWRRSA-N 2 0 300.450 2.829 20 0 DFADRP CCC(CC)(CO)C[NH2+][C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423003221 296366167 /nfs/dbraw/zinc/36/61/67/296366167.db2.gz LBVFVSSZHHADPF-VQIMIIECSA-N 2 0 318.461 2.631 20 0 DFADRP Cc1cc(C[C@@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)n(-c2ccccc2)n1 ZINC000422999554 296365474 /nfs/dbraw/zinc/36/54/74/296365474.db2.gz SQSOTOLMGDPGSH-NAZJXLNTSA-N 2 0 324.472 2.984 20 0 DFADRP C[C@H]([NH2+]Cc1ccc(OCCC[NH+](C)C)cc1)c1cn[nH]c1 ZINC000270200658 208267038 /nfs/dbraw/zinc/26/70/38/208267038.db2.gz MJIXEODBEVTEEJ-AWEZNQCLSA-N 2 0 302.422 2.591 20 0 DFADRP C[C@H]([NH3+])C[C@H](C)[NH2+][C@@H]1CCN(C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000423012403 296367321 /nfs/dbraw/zinc/36/73/21/296367321.db2.gz KRFNQVNIJBWSFP-QMMBQJITSA-N 2 0 313.848 2.940 20 0 DFADRP CO[C@@H]1CCC[C@@H]1C[NH2+][C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423013115 296367282 /nfs/dbraw/zinc/36/72/82/296367282.db2.gz FEABDJAVCHTBMF-NOCIGQNYSA-N 2 0 316.445 2.647 20 0 DFADRP C[C@@H](Cc1cc(Br)ccc1F)[NH2+]C1CC[NH2+]CC1 ZINC000423017629 296368016 /nfs/dbraw/zinc/36/80/16/296368016.db2.gz WXIZWWDDIVMUTN-JTQLQIEISA-N 2 0 315.230 2.861 20 0 DFADRP CCOC(=O)C1([C@@H](C)[NH2+]CCc2sccc2C)CC[NH2+]CC1 ZINC000423017271 296368150 /nfs/dbraw/zinc/36/81/50/296368150.db2.gz OFHNGOPHHZGMST-CQSZACIVSA-N 2 0 324.490 2.510 20 0 DFADRP CC(C)CSCCC[NH2+][C@@H]1CCOC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000423013241 296367394 /nfs/dbraw/zinc/36/73/94/296367394.db2.gz MIKAUFPOYWNZCP-OWCLPIDISA-N 2 0 300.512 2.512 20 0 DFADRP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+]CCOc1cccc(C(F)(F)F)n1 ZINC000423011021 296367424 /nfs/dbraw/zinc/36/74/24/296367424.db2.gz HYZYTELAACUQQG-NEPJUHHUSA-N 2 0 317.355 2.729 20 0 DFADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+][C@@H]1CCN(C)[C@@H]1c1ccccc1 ZINC000423012819 296367515 /nfs/dbraw/zinc/36/75/15/296367515.db2.gz LNWHJWRAQAXNCZ-CWFSZBLJSA-N 2 0 324.472 2.945 20 0 DFADRP COc1ccc(C[C@@H](C)C[NH2+][C@H]2CCC[NH2+]CC2)cc1OC ZINC000423026947 296369143 /nfs/dbraw/zinc/36/91/43/296369143.db2.gz QNVACOQEKWZENZ-ZBFHGGJFSA-N 2 0 306.450 2.614 20 0 DFADRP COc1ccc(C[C@H](C)C[NH2+][C@H]2CC[NH2+]CC[C@@H]2C)cc1OC ZINC000423026636 296369292 /nfs/dbraw/zinc/36/92/92/296369292.db2.gz QKGFMHJBBBSMBT-ZOBUZTSGSA-N 2 0 320.477 2.860 20 0 DFADRP Fc1cc(N2CC[C@@H]([NH2+][C@H]3CCC[NH2+]CC3)C2)ccc1Cl ZINC000423025627 296369328 /nfs/dbraw/zinc/36/93/28/296369328.db2.gz ORQODEPIGXPHHT-QWHCGFSZSA-N 2 0 311.832 2.790 20 0 DFADRP COc1ccc(C[C@@H](C)C[NH2+][C@@H]2CCC[NH2+]CC2)cc1OC ZINC000423026944 296369357 /nfs/dbraw/zinc/36/93/57/296369357.db2.gz QNVACOQEKWZENZ-GDBMZVCRSA-N 2 0 306.450 2.614 20 0 DFADRP COc1ccccc1OC[C@H](C)C[NH2+][C@@H](C)[C@@H]1CCCC[NH2+]1 ZINC000423024336 296369403 /nfs/dbraw/zinc/36/94/03/296369403.db2.gz LMTGGNNTEBAURV-PMPSAXMXSA-N 2 0 306.450 2.830 20 0 DFADRP COC[C@@H](CCC[NH3+])[NH2+]CC1(c2ccc(F)cc2Cl)CC1 ZINC000423020729 296368448 /nfs/dbraw/zinc/36/84/48/296368448.db2.gz CWLUPIZXCLYVSK-CYBMUJFWSA-N 2 0 314.832 2.854 20 0 DFADRP Cc1nn(C)c(C)c1CCC[NH2+][C@@H](C)C[C@@H]1CCCCC[NH2+]1 ZINC000423018898 296368558 /nfs/dbraw/zinc/36/85/58/296368558.db2.gz SIGKPCJXSMMKMQ-YOEHRIQHSA-N 2 0 306.498 2.870 20 0 DFADRP C[C@@H]([NH3+])[C@H](Cc1ccccc1)NCC1(C[NH+](C)C)CCCC1 ZINC000423033383 296370317 /nfs/dbraw/zinc/37/03/17/296370317.db2.gz GLIZTYCBGMASRY-AEFFLSMTSA-N 2 0 303.494 2.657 20 0 DFADRP C[C@H]([NH3+])[C@H]1COCC[C@H]1[NH2+]CC1(c2ccccc2Cl)CC1 ZINC000423028909 296369730 /nfs/dbraw/zinc/36/97/30/296369730.db2.gz TYQHOLTTZIDOOU-WOSRLPQWSA-N 2 0 308.853 2.714 20 0 DFADRP CC(C)[NH+]1CCN(c2cccc(N[C@@H](C)C[C@H](C)[NH3+])c2)CC1 ZINC000423028839 296369749 /nfs/dbraw/zinc/36/97/49/296369749.db2.gz RKRMVJKUTRMSSZ-HOTGVXAUSA-N 2 0 304.482 2.755 20 0 DFADRP COC[C@H](CCC[NH3+])[NH2+][C@@H](c1cccc(F)c1)c1ccccn1 ZINC000423032214 296370044 /nfs/dbraw/zinc/37/00/44/296370044.db2.gz XWDVXEYRMUWDCV-WMZOPIPTSA-N 2 0 317.408 2.654 20 0 DFADRP C[C@H]([NH2+][C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)[C@H]1CCCOC1 ZINC000423041508 296371085 /nfs/dbraw/zinc/37/10/85/296371085.db2.gz JFYGQFCCDOZIMI-BVYOLEPJSA-N 2 0 316.445 2.647 20 0 DFADRP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CCN(c2ccc(F)c(Cl)c2)C1 ZINC000423038058 296370551 /nfs/dbraw/zinc/37/05/51/296370551.db2.gz CGZYTVYXMMZNRG-OZVIIMIRSA-N 2 0 311.832 2.775 20 0 DFADRP [NH3+]C[C@@H]1CCC[C@H]1[NH2+][C@H]1CCN(c2ccc(F)c(Cl)c2)C1 ZINC000423038057 296370596 /nfs/dbraw/zinc/37/05/96/296370596.db2.gz CGZYTVYXMMZNRG-MQIPJXDCSA-N 2 0 311.832 2.775 20 0 DFADRP [NH3+][C@H]1CCC[C@@H]1[NH2+]CCc1c[nH]c2ccc(Br)cc12 ZINC000423037682 296370716 /nfs/dbraw/zinc/37/07/16/296370716.db2.gz WOPSFTKTASGQFV-ZFWWWQNUSA-N 2 0 322.250 2.942 20 0 DFADRP COc1ccccc1[C@H](C[NH2+][C@@H](C)[C@@H]1CC[NH2+]C1)OC(C)C ZINC000423046893 296371725 /nfs/dbraw/zinc/37/17/25/296371725.db2.gz FHMXNHFZXYOPFH-DAYGRLMNSA-N 2 0 306.450 2.749 20 0 DFADRP COC[C@H](CCC[NH3+])[NH2+][C@H](Cc1ccccn1)c1ccccc1 ZINC000423052430 296372493 /nfs/dbraw/zinc/37/24/93/296372493.db2.gz PRAJGOKOWNYMLK-RBUKOAKNSA-N 2 0 313.445 2.709 20 0 DFADRP CC(C)CC[C@@H]1CCC[C@H]1[NH2+]CCCN1CCC[C@H]1C(N)=O ZINC000624085454 399548437 /nfs/dbraw/zinc/54/84/37/399548437.db2.gz WDZPWTUEYHXVGF-BBWFWOEESA-N 2 0 309.498 2.521 20 0 DFADRP CC(C)(C)[C@H]1CCCC[C@@H]1[NH2+]CCCN1CCC[C@H]1C(N)=O ZINC000624085232 399548464 /nfs/dbraw/zinc/54/84/64/399548464.db2.gz FZJMXPXIZDCAQX-JYJNAYRXSA-N 2 0 309.498 2.521 20 0 DFADRP COc1ccccc1[C@@H](C[NH2+][C@H]1CCC[NH2+]CC1)OC(C)C ZINC000423053890 296372533 /nfs/dbraw/zinc/37/25/33/296372533.db2.gz SJWHQGQADVKDGI-MAUKXSAKSA-N 2 0 306.450 2.893 20 0 DFADRP OC[C@H](N[C@@H]1CC[NH2+][C@@H](c2ccccc2)C1)c1ccsc1 ZINC000423056090 296372687 /nfs/dbraw/zinc/37/26/87/296372687.db2.gz XARSMNYTPOWTDA-ZACQAIPSSA-N 2 0 302.443 2.864 20 0 DFADRP [NH3+]C[C@H]1CCCC[C@@H]1[NH2+]CCN1CCc2c(Cl)cccc2C1 ZINC000423061453 296373528 /nfs/dbraw/zinc/37/35/28/296373528.db2.gz QRTKWRCJVAGRKC-KDOFPFPSSA-N 2 0 321.896 2.805 20 0 DFADRP C[C@@H](NC[C@@H](C1CC1)[N@H+](C)Cc1ccccc1)[C@H]1CCC[NH2+]1 ZINC000423059359 296373044 /nfs/dbraw/zinc/37/30/44/296373044.db2.gz FKIDQLCDZVIJQG-LZQZEXGQSA-N 2 0 301.478 2.627 20 0 DFADRP Cc1ccc(C[C@H](CO)[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)cc1 ZINC000423058915 296373184 /nfs/dbraw/zinc/37/31/84/296373184.db2.gz KSDJEXGKJNLULO-FUMNGEBKSA-N 2 0 316.489 2.799 20 0 DFADRP C[C@H]1CC[NH2+]CC[C@H]1[NH2+]CCN1CCc2c(Cl)cccc2C1 ZINC000423064763 296374282 /nfs/dbraw/zinc/37/42/82/296374282.db2.gz ZRVHTCSXYHDUIQ-KBXCAEBGSA-N 2 0 321.896 2.676 20 0 DFADRP CC[C@H]([NH2+]CC1CCN(CC(F)(F)F)CC1)[C@H]1CCCC[NH2+]1 ZINC000423065374 296374326 /nfs/dbraw/zinc/37/43/26/296374326.db2.gz UILSECKCLIPZCU-LSDHHAIUSA-N 2 0 321.431 2.771 20 0 DFADRP CC(C)[C@H](C[NH2+][C@@H]1CCOC[C@@H]1[C@@H](C)[NH3+])Cc1ccccc1 ZINC000423067452 296374404 /nfs/dbraw/zinc/37/44/04/296374404.db2.gz HCXLBZZGDJMHCP-QXCFHYIPSA-N 2 0 304.478 2.843 20 0 DFADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]C[C@](C)(O)C1CCCCC1 ZINC000423069055 296374481 /nfs/dbraw/zinc/37/44/81/296374481.db2.gz CYCLVMRPXVGFOU-UGSOOPFHSA-N 2 0 305.466 2.831 20 0 DFADRP [NH3+][C@@H]1CCC[C@H]1[NH2+][C@H]1CCN(c2ccccc2C(F)(F)F)C1 ZINC000423062811 296373913 /nfs/dbraw/zinc/37/39/13/296373913.db2.gz NUUSCZFQQZMNFZ-IACUBPJLSA-N 2 0 313.367 2.754 20 0 DFADRP CCO[C@H](CC[NH+](C)C)C[NH2+]C/C=C/c1ccc(F)c(F)c1 ZINC000286382961 218954838 /nfs/dbraw/zinc/95/48/38/218954838.db2.gz GRZSPRNTBLLTHF-LLYBFZRZSA-N 2 0 312.404 2.924 20 0 DFADRP [NH3+][C@@H]1CCCCC[C@H]1[NH2+]CC1CCN(CC(F)(F)F)CC1 ZINC000423065462 296374104 /nfs/dbraw/zinc/37/41/04/296374104.db2.gz UMNQNRCQMSRHKA-ZIAGYGMSSA-N 2 0 307.404 2.510 20 0 DFADRP C[C@H](CCC[NH3+])[NH2+]C[C@@]1(Cc2ccc(F)cc2)CCC[C@@H]1O ZINC000423071337 296374957 /nfs/dbraw/zinc/37/49/57/296374957.db2.gz FJLBZPJOYAPJQJ-JLSDUUJJSA-N 2 0 308.441 2.616 20 0 DFADRP [NH3+]C1CCC([NH2+]C[C@]2(Cc3ccc(F)cc3)CCC[C@@H]2O)CC1 ZINC000423071949 296374832 /nfs/dbraw/zinc/37/48/32/296374832.db2.gz GNRVFIZYRJOGLD-WZOJCFFYSA-N 2 0 320.452 2.759 20 0 DFADRP [NH3+][C@@H]1CCCCC[C@H]1NC[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000423081985 296376135 /nfs/dbraw/zinc/37/61/35/296376135.db2.gz CGCJEKFFITZURJ-IPMKNSEASA-N 3 0 301.478 2.758 20 0 DFADRP Cc1noc(C[C@H]([NH2+][C@H](C)CCCC[NH3+])c2ccccc2)n1 ZINC000423077325 296375670 /nfs/dbraw/zinc/37/56/70/296375670.db2.gz SYAALNVXFQKSKL-CJNGLKHVSA-N 2 0 302.422 2.769 20 0 DFADRP C[C@@H](CCCC[NH3+])[NH2+]CCCCn1cc(Br)cn1 ZINC000423081131 296375817 /nfs/dbraw/zinc/37/58/17/296375817.db2.gz BGTOISXEEAXCHO-LBPRGKRZSA-N 2 0 317.275 2.533 20 0 DFADRP C[C@@H](NC[C@H]1CCC[N@@H+]1C)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000624101211 399553768 /nfs/dbraw/zinc/55/37/68/399553768.db2.gz QOFXJAMPHBLNSU-NZSAHSFTSA-N 2 0 301.478 2.581 20 0 DFADRP [NH3+]C[C@H]1CCC[C@@H]1[NH2+]C1CC(N2CCC(C(F)(F)F)CC2)C1 ZINC000423088745 296376951 /nfs/dbraw/zinc/37/69/51/296376951.db2.gz SOLVLXHHACFRNJ-WPPJOMGTSA-N 2 0 319.415 2.509 20 0 DFADRP c1ccc2c(c1)O[C@]1(CC[NH2+]C1)C[C@H]2[NH2+]C[C@H]1CCSC1 ZINC000423090914 296377131 /nfs/dbraw/zinc/37/71/31/296377131.db2.gz YXSBMGXJZWDXNU-FRFSOERESA-N 2 0 304.459 2.585 20 0 DFADRP [NH3+][C@H]1C[C@@H]([NH2+]C2CCN(c3nccs3)CC2)c2ccccc21 ZINC000423095993 296377801 /nfs/dbraw/zinc/37/78/01/296377801.db2.gz GUEITMGNUSRFJO-JKSUJKDBSA-N 2 0 314.458 2.846 20 0 DFADRP COc1ccc(OCCC[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)cc1 ZINC000158779922 197300789 /nfs/dbraw/zinc/30/07/89/197300789.db2.gz QOOKXQYMRZFHIO-APWZRJJASA-N 2 0 318.461 2.880 20 0 DFADRP C[C@H]([NH2+]CCc1cccc(OCC(F)(F)F)c1)[C@@H]1CC[NH2+]C1 ZINC000423099892 296378106 /nfs/dbraw/zinc/37/81/06/296378106.db2.gz UOHPCSLJFUFJNX-GXTWGEPZSA-N 2 0 316.367 2.758 20 0 DFADRP C[C@@H]1CSC[C@@H]1[NH2+][C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423100894 296378226 /nfs/dbraw/zinc/37/82/26/296378226.db2.gz CCTFSVUYCNDVSW-JJAZEVLHSA-N 2 0 304.459 2.583 20 0 DFADRP C[N@@H+]1CCCC[C@@H](C[NH2+][C@H]2CCCN(Cc3ccccc3)C2)C1 ZINC000624121589 399560294 /nfs/dbraw/zinc/56/02/94/399560294.db2.gz YIKCDMBAHCWSBK-PMACEKPBSA-N 2 0 315.505 2.973 20 0 DFADRP CCS(=O)(=O)c1ccc([C@H](C)[NH2+][C@H](C)CCCC[NH3+])cc1 ZINC000423109638 296379190 /nfs/dbraw/zinc/37/91/90/296379190.db2.gz STQSJGPUNCPQNJ-KGLIPLIRSA-N 2 0 312.479 2.648 20 0 DFADRP C[N@@H+]1CCCC[C@H](CN[C@H](c2ccccc2)c2cncnc2)C1 ZINC000624122705 399559984 /nfs/dbraw/zinc/55/99/84/399559984.db2.gz ZAZRCPKRHKSNJQ-VQIMIIECSA-N 2 0 310.445 2.888 20 0 DFADRP CC(C)[NH+]1CCC(O)(C[NH2+]C2CC(c3cccc(F)c3)C2)CC1 ZINC000272913549 210302048 /nfs/dbraw/zinc/30/20/48/210302048.db2.gz IELDDVIPZRDBID-UHFFFAOYSA-N 2 0 320.452 2.897 20 0 DFADRP CCc1noc(C2CCC([NH2+]C[C@@H]3CCCC[N@H+](C)C3)CC2)n1 ZINC000624122632 399561047 /nfs/dbraw/zinc/56/10/47/399561047.db2.gz XDWJQPRNHKJCCI-FHERZECASA-N 2 0 320.481 2.980 20 0 DFADRP C[NH+](C)CC1(C(=O)NC[C@H]2CC[N@@H+](C(C)(C)C)C2)CCCCC1 ZINC000616999857 399561712 /nfs/dbraw/zinc/56/17/12/399561712.db2.gz PCSJTWRIBOIHES-MRXNPFEDSA-N 2 0 323.525 2.735 20 0 DFADRP COC[C@H](CCC[NH3+])[NH2+][C@@H]1CC[C@@H](c2ccccc2)C[C@@H]1OC ZINC000423115005 296380461 /nfs/dbraw/zinc/38/04/61/296380461.db2.gz WUQNQQNRHSXVLY-HCXYKTFWSA-N 2 0 320.477 2.681 20 0 DFADRP FC1(F)CCC[C@H](C[NH2+][C@@H]2CCOC[C@H]2[C@H]2CCC[NH2+]2)C1 ZINC000423116402 296380469 /nfs/dbraw/zinc/38/04/69/296380469.db2.gz PSCMNFKTZXPKJU-BYNSBNAKSA-N 2 0 302.409 2.559 20 0 DFADRP CC[C@H](NC[C@]1(CO)C[C@H]1c1ccccc1)[C@H]1CCCC[NH2+]1 ZINC000423119854 296380636 /nfs/dbraw/zinc/38/06/36/296380636.db2.gz DWRXOQKYZMLQFO-OKYOBFRVSA-N 2 0 302.462 2.663 20 0 DFADRP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1[NH2+][C@@H]1CCc2sc(Cl)cc21 ZINC000423123861 296381401 /nfs/dbraw/zinc/38/14/01/296381401.db2.gz NPFYSERIUKQYSD-IXLVHKGHSA-N 2 0 300.855 2.731 20 0 DFADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]CCc1cccc(C(F)(F)F)n1 ZINC000423123798 296380991 /nfs/dbraw/zinc/38/09/91/296380991.db2.gz FHUPMYOLJNHBSC-AAEUAGOBSA-N 2 0 301.356 2.750 20 0 DFADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]C[C@@H](CO)C1CCCCC1 ZINC000423131007 296382194 /nfs/dbraw/zinc/38/21/94/296382194.db2.gz HNDLQMABZSBUGB-CJNGLKHVSA-N 2 0 305.466 2.688 20 0 DFADRP CC(C)Oc1ccc([C@H](C[NH2+][C@@H](C)[C@H]2CC[NH2+]C2)N(C)C)cc1 ZINC000423131881 296382231 /nfs/dbraw/zinc/38/22/31/296382231.db2.gz TVOFSMKCJRLXRM-IEZWGBDMSA-N 2 0 319.493 2.664 20 0 DFADRP C[C@H](CCC[NH3+])[NH2+][C@H]1CCCN([C@H](C)c2ccccc2F)C1=O ZINC000423131254 296382279 /nfs/dbraw/zinc/38/22/79/296382279.db2.gz HTCNEKQBCVDSPP-CPUCHLNUSA-N 2 0 321.440 2.595 20 0 DFADRP OC[C@H](C[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1)c1ccccc1Cl ZINC000423126741 296381878 /nfs/dbraw/zinc/38/18/78/296381878.db2.gz ORHURUGWZCQTPC-QXRTWZOPSA-N 2 0 322.880 2.926 20 0 DFADRP C([NH2+][C@@H]1CCOC[C@@H]1[C@@H]1CCC[NH2+]1)[C@@H]1C[C@H]1C1CCCCC1 ZINC000423129197 296381963 /nfs/dbraw/zinc/38/19/63/296381963.db2.gz FADBUTOTHYIQCL-QXCZDIPSSA-N 2 0 306.494 2.950 20 0 DFADRP CCOC(=O)C1([C@H](C)[NH2+]C[C@@H]2CCCC2(C)C)CC[NH2+]CC1 ZINC000423132657 296382680 /nfs/dbraw/zinc/38/26/80/296382680.db2.gz JRMGMFRUXVBOIQ-GJZGRUSLSA-N 2 0 310.482 2.724 20 0 DFADRP C[C@H]([NH2+]CCc1cnc(SC2CCCC2)nc1)[C@H]1CC[NH2+]C1 ZINC000423134531 296382722 /nfs/dbraw/zinc/38/27/22/296382722.db2.gz MKMHCVRSCKXCGY-ZFWWWQNUSA-N 2 0 320.506 2.641 20 0 DFADRP FC1(F)CC(C[NH2+][C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)C1 ZINC000423135102 296382867 /nfs/dbraw/zinc/38/28/67/296382867.db2.gz SONKFDNRRDDVKT-HOCLYGCPSA-N 2 0 308.372 2.877 20 0 DFADRP [NH3+]CC1CCC([NH2+]CCc2cc(C(F)(F)F)ccn2)CC1 ZINC000423135571 296383039 /nfs/dbraw/zinc/38/30/39/296383039.db2.gz NXQKLNWOPWIXGS-UHFFFAOYSA-N 2 0 301.356 2.750 20 0 DFADRP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]CCCCC[NH+]1CCCC1 ZINC000423137267 296383143 /nfs/dbraw/zinc/38/31/43/296383143.db2.gz QLZKCIDVAWDJDZ-PKOBYXMFSA-N 3 0 303.494 2.801 20 0 DFADRP C[C@H]([NH2+]C[C@@H]1CCN(c2ccccc2F)C1)[C@H]1CCCC[NH2+]1 ZINC000423141533 296383830 /nfs/dbraw/zinc/38/38/30/296383830.db2.gz QNDWSPFOMCIQQP-YQQAZPJKSA-N 2 0 305.441 2.772 20 0 DFADRP C[C@H](CCC[NH3+])[NH2+]CCc1cnc(SC2CCCC2)nc1 ZINC000423140366 296383914 /nfs/dbraw/zinc/38/39/14/296383914.db2.gz XYKCLODEHPXLLH-CYBMUJFWSA-N 2 0 308.495 2.771 20 0 DFADRP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1[NH2+][C@H]1C[C@H](c2ccccc2Cl)C1 ZINC000423145842 296384748 /nfs/dbraw/zinc/38/47/48/296384748.db2.gz MUULHQCFUXSQBI-ACMLMGIUSA-N 2 0 308.853 2.928 20 0 DFADRP [NH3+]C1CCC([NH2+]Cc2c(Cl)cccc2-n2ccnc2)CC1 ZINC000423146067 296384808 /nfs/dbraw/zinc/38/48/08/296384808.db2.gz NTSZHWRNWBEACF-UHFFFAOYSA-N 2 0 304.825 2.885 20 0 DFADRP [NH3+]C[C@H]1CCCC[C@@H]1[NH2+]CCOc1ccc(Cl)c(F)c1 ZINC000423147200 296385189 /nfs/dbraw/zinc/38/51/89/296385189.db2.gz CCYIRLFQYYWBEP-ABAIWWIYSA-N 2 0 300.805 2.965 20 0 DFADRP CO[C@H](C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1)Cc1ccccc1 ZINC000423156645 296386149 /nfs/dbraw/zinc/38/61/49/296386149.db2.gz LJAWIBFZCAEFKF-ZSYWTGECSA-N 2 0 302.462 2.754 20 0 DFADRP CO[C@H](C[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1)Cc1ccccc1 ZINC000423156644 296386242 /nfs/dbraw/zinc/38/62/42/296386242.db2.gz LJAWIBFZCAEFKF-WJFTUGDTSA-N 2 0 302.462 2.754 20 0 DFADRP CC[C@H]([NH2+][C@@H]1CCO[C@@H](c2ccccn2)C1)[C@@H]1CCCC[NH2+]1 ZINC000423161365 296386852 /nfs/dbraw/zinc/38/68/52/296386852.db2.gz NOUDUOYDYXRWBE-MUQADHOPSA-N 2 0 303.450 2.812 20 0 DFADRP COC[C@H](CCC[NH3+])[NH2+]Cc1ccc(Br)c(C)c1 ZINC000423161319 296386415 /nfs/dbraw/zinc/38/64/15/296386415.db2.gz IVEYFHJLKAXZBY-ZDUSSCGKSA-N 2 0 315.255 2.601 20 0 DFADRP CCC[N@@H+]1CCC[C@H]1C(=O)NCCCCC[NH+]1CCCCC1 ZINC000347753166 285159763 /nfs/dbraw/zinc/15/97/63/285159763.db2.gz OSFAATDYQSXXMM-KRWDZBQOSA-N 2 0 309.498 2.633 20 0 DFADRP COC[C@@H](CCC[NH3+])[NH2+][C@H](c1ccco1)c1ccc(OC)cc1 ZINC000423168612 296387779 /nfs/dbraw/zinc/38/77/79/296387779.db2.gz UULCHFQCWQRTBQ-QAPCUYQASA-N 2 0 318.417 2.721 20 0 DFADRP C[NH+](C)[C@H](CC(=O)NC[C@@H]1CC[N@@H+]1C(C)(C)C)c1ccccc1 ZINC000617009387 399571011 /nfs/dbraw/zinc/57/10/11/399571011.db2.gz XZWHIZVMYLAITB-DLBZAZTESA-N 2 0 317.477 2.668 20 0 DFADRP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCOC[C@H]2[C@H]2CCC[NH2+]2)c2ccccc2O1 ZINC000423166382 296387370 /nfs/dbraw/zinc/38/73/70/296387370.db2.gz ZCWRRSHUHAEJRI-REEYDVFISA-N 2 0 316.445 2.645 20 0 DFADRP C[C@H]([NH2+]CCCN1CC[NH2+]CC1)c1cc(Cl)ccc1Cl ZINC000423174469 296388261 /nfs/dbraw/zinc/38/82/61/296388261.db2.gz ATGYFBVZWQGELP-LBPRGKRZSA-N 2 0 316.276 2.939 20 0 DFADRP Cc1nc(C(C)(C)C)sc1[C@@H](C)[NH2+]CCCN1CC[NH2+]CC1 ZINC000423177856 296388576 /nfs/dbraw/zinc/38/85/76/296388576.db2.gz JTQBBNPNMWWYQT-CYBMUJFWSA-N 2 0 324.538 2.695 20 0 DFADRP Clc1ccccc1C[C@H]([NH2+]C1CC[NH2+]CC1)[C@@H]1CCCO1 ZINC000423185884 296389793 /nfs/dbraw/zinc/38/97/93/296389793.db2.gz NUMXOFXWTKJXOO-IRXDYDNUSA-N 2 0 308.853 2.772 20 0 DFADRP c1ccc([C@H]([NH2+]CCCN2CC[NH2+]CC2)C2CCCC2)cc1 ZINC000423194275 296390771 /nfs/dbraw/zinc/39/07/71/296390771.db2.gz XLTCPZCWXZLGMO-IBGZPJMESA-N 2 0 301.478 2.803 20 0 DFADRP c1ccc([C@@H]2CCCC[C@H]2[NH2+]CCCN2CC[NH2+]CC2)cc1 ZINC000423187519 296390078 /nfs/dbraw/zinc/39/00/78/296390078.db2.gz YBIDHTBKIVRQPO-RBUKOAKNSA-N 2 0 301.478 2.598 20 0 DFADRP CC(C)(C)OC(=O)CCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000612092793 399579171 /nfs/dbraw/zinc/57/91/71/399579171.db2.gz YEUVJXJJLBFNES-UHFFFAOYSA-N 2 0 319.449 2.716 20 0 DFADRP CCc1c2ccccc2oc1[C@@H](C)[NH2+]CCN1CC[NH2+]CC1 ZINC000423203192 296392235 /nfs/dbraw/zinc/39/22/35/296392235.db2.gz MKOSJOYYHJVDJY-CQSZACIVSA-N 2 0 301.434 2.551 20 0 DFADRP c1ccc(C[N@@H+]2C[C@@H]3CCCC[C@H](N[C@@H]4CC[NH2+]C4)[C@@H]3C2)cc1 ZINC000423205028 296392282 /nfs/dbraw/zinc/39/22/82/296392282.db2.gz BKGTZWDYTIIKSO-NMLBUPMWSA-N 2 0 313.489 2.629 20 0 DFADRP Clc1ccc(C[C@@H]2CCC[C@H]2[NH2+]CCN2CC[NH2+]CC2)cc1 ZINC000423203474 296392313 /nfs/dbraw/zinc/39/23/13/296392313.db2.gz MVNMJJFBQDLUAL-FUHWJXTLSA-N 2 0 321.896 2.546 20 0 DFADRP C[C@@H]([NH2+]C[C@H]1CCC[NH2+]C1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000423211002 296392673 /nfs/dbraw/zinc/39/26/73/296392673.db2.gz KLONVGBYJXMJCF-KGLIPLIRSA-N 2 0 316.449 2.621 20 0 DFADRP COC(=O)CCC[C@H]1CCC[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000423211182 296392742 /nfs/dbraw/zinc/39/27/42/296392742.db2.gz IEWFHNQOFCQAFX-VPEURPPWSA-N 2 0 308.466 2.761 20 0 DFADRP Cc1ccccc1[C@@H]([NH2+]CCN1CC[NH2+]CC1)C1CCCC1 ZINC000423201719 296391912 /nfs/dbraw/zinc/39/19/12/296391912.db2.gz JEMIVUUKGNLMIZ-IBGZPJMESA-N 2 0 301.478 2.721 20 0 DFADRP C[NH2+]CCCN[C@@H]1CC[N@H+](Cc2ccccc2)[C@H]2CCC[C@@H]21 ZINC000423200591 296391968 /nfs/dbraw/zinc/39/19/68/296391968.db2.gz MTHAORBOFZVGED-QRVBRYPASA-N 3 0 301.478 2.629 20 0 DFADRP C[NH2+]CCCN[C@@H]1CCCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000423201498 296392043 /nfs/dbraw/zinc/39/20/43/296392043.db2.gz PBCNMJVCAPDWQT-SLFFLAALSA-N 2 0 315.505 2.876 20 0 DFADRP C[C@@H]([NH2+]C1CCN(c2ccc(F)cc2F)CC1)[C@@H]1CCC[NH2+]C1 ZINC000423222040 296394041 /nfs/dbraw/zinc/39/40/41/296394041.db2.gz ZHSVJOHPUHYIRR-ZIAGYGMSSA-N 2 0 323.431 2.911 20 0 DFADRP COC(=O)c1cc(CN2CCC[C@H]([NH+]3CCCC3)CC2)oc1C ZINC000157257072 197174341 /nfs/dbraw/zinc/17/43/41/197174341.db2.gz PUHQWKLJWUXGMH-HNNXBMFYSA-N 2 0 320.433 2.825 20 0 DFADRP COc1ccc(C[C@H](C)[NH2+][C@H](C)[C@H]2CCC[NH2+]C2)c(C)c1OC ZINC000423212349 296393216 /nfs/dbraw/zinc/39/32/16/296393216.db2.gz IFOYKFCNFATPGB-LXZKKBNFSA-N 2 0 320.477 2.921 20 0 DFADRP C[C@H]([NH2+]C1CCC([NH3+])CC1)c1cccc(OCC[NH+](C)C)c1 ZINC000423217281 296393346 /nfs/dbraw/zinc/39/33/46/296393346.db2.gz PWCRBTKISQGJDY-OOHWJJMZSA-N 3 0 305.466 2.548 20 0 DFADRP CC(C)[C@@H]([NH2+]C[C@@H]1CCC[NH2+]C1)c1ccc2[nH]c(=O)oc2c1 ZINC000423219773 296393637 /nfs/dbraw/zinc/39/36/37/296393637.db2.gz XMHSQIAWALOSCL-MLGOLLRUSA-N 2 0 303.406 2.820 20 0 DFADRP COc1cc(C)c(C[C@H](C)[NH2+]C2CCC([NH3+])CC2)cc1OC ZINC000423228892 296394861 /nfs/dbraw/zinc/39/48/61/296394861.db2.gz FSXLNYWPXCGYBS-JEYLPNPQSA-N 2 0 306.450 2.803 20 0 DFADRP C[C@H]([NH3+])CC[NH2+][C@@H]1CCCOc2c(Br)cccc21 ZINC000423224113 296394295 /nfs/dbraw/zinc/39/42/95/296394295.db2.gz IGGJSROPAWRDLB-GXFFZTMASA-N 2 0 313.239 2.990 20 0 DFADRP C[C@@H]([NH3+])CC[NH2+][C@@H]1CCc2c1ccc(F)c2Br ZINC000423226652 296394417 /nfs/dbraw/zinc/39/44/17/296394417.db2.gz RPHHNRIRMMNINA-PRHODGIISA-N 2 0 301.203 2.902 20 0 DFADRP C[C@@H]([NH3+])CC[NH2+][C@H]1CCc2c1cc(Br)cc2F ZINC000423225468 296394450 /nfs/dbraw/zinc/39/44/50/296394450.db2.gz MWWLXZUAAPULDR-OQPBUACISA-N 2 0 301.203 2.902 20 0 DFADRP CCN(CC)C(=O)Nc1ccc([C@@H](C)[NH2+]CC[C@H](C)[NH3+])cc1 ZINC000423226123 296394488 /nfs/dbraw/zinc/39/44/88/296394488.db2.gz PMSCPBOFSGMRHL-UONOGXRCSA-N 2 0 306.454 2.948 20 0 DFADRP Fc1ccc([C@H](C[C@@H]2CCOC2)[NH2+]CC[C@H]2CC[NH2+]C2)cc1 ZINC000423241102 296396005 /nfs/dbraw/zinc/39/60/05/296396005.db2.gz CZOUJTAKVZVOOR-VKJFTORMSA-N 2 0 306.425 2.883 20 0 DFADRP C[C@@H]([NH2+]CC[C@H]1CC[NH2+]C1)c1ncc(Br)s1 ZINC000423241609 296396023 /nfs/dbraw/zinc/39/60/23/296396023.db2.gz DKTINBYLORPTHE-RKDXNWHRSA-N 2 0 304.257 2.556 20 0 DFADRP CC(C)[C@H]([NH2+]CC[C@H]1CC[NH2+]C1)c1ccc2[nH]c(=O)oc2c1 ZINC000423238368 296396064 /nfs/dbraw/zinc/39/60/64/296396064.db2.gz ABZSARLSGRQJNO-WBMJQRKESA-N 2 0 303.406 2.820 20 0 DFADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NCC(C)(C)[NH+]1CCC[C@@H](CC)C1 ZINC000347812906 285185713 /nfs/dbraw/zinc/18/57/13/285185713.db2.gz JQADAMDLRDFTSA-IAGOWNOFSA-N 2 0 323.525 2.878 20 0 DFADRP CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)[C@H]2CCCC[NH+]2CC)C1 ZINC000347812917 285186084 /nfs/dbraw/zinc/18/60/84/285186084.db2.gz JWKSMXFFSIJFNP-IAGOWNOFSA-N 2 0 323.525 2.878 20 0 DFADRP CCOC(=O)[C@@H]1CC[C@H]([NH2+]CC[C@H]2CC[NH2+]C2)c2ccccc21 ZINC000423251396 296397206 /nfs/dbraw/zinc/39/72/06/296397206.db2.gz SAOJGTQRNULJJO-OLMNPRSZSA-N 2 0 316.445 2.757 20 0 DFADRP CC1(C)[C@H]([NH2+]CC[C@H]2CC[NH2+]C2)C[C@H]1OCc1ccccc1 ZINC000423254625 296397208 /nfs/dbraw/zinc/39/72/08/296397208.db2.gz YUXUMWVAMQEFNB-KBAYOESNSA-N 2 0 302.462 2.960 20 0 DFADRP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+]CC[C@@H]2CC[NH2+]C2)CC1 ZINC000423250889 296396820 /nfs/dbraw/zinc/39/68/20/296396820.db2.gz REFSAPKCSOKRCY-MJGOQNOKSA-N 3 0 315.505 2.671 20 0 DFADRP C[C@@H]([NH2+]CC[C@H]1CC[NH2+]C1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000423249016 296396893 /nfs/dbraw/zinc/39/68/93/296396893.db2.gz OCCFXJUJCZDOAY-ZIAGYGMSSA-N 2 0 316.449 2.621 20 0 DFADRP CCC(CC)[NH2+]Cc1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000156948506 197151626 /nfs/dbraw/zinc/15/16/26/197151626.db2.gz NHUJWBZULVKOQU-QGZVFWFLSA-N 2 0 317.477 2.662 20 0 DFADRP NC[C@@H]([NH2+]C1CCN(Cc2ccccn2)CC1)C1CCCCC1 ZINC000423263810 296398232 /nfs/dbraw/zinc/39/82/32/296398232.db2.gz OZXNPVCTKOBKDO-LJQANCHMSA-N 2 0 316.493 2.543 20 0 DFADRP C[C@@H]([NH2+]CC[C@H]1CCC[NH2+]C1)c1cnn(Cc2ccccc2)c1 ZINC000423260052 296397673 /nfs/dbraw/zinc/39/76/73/296397673.db2.gz PGZIBGXIIBZSSZ-IAGOWNOFSA-N 2 0 312.461 2.972 20 0 DFADRP CC(C)C[C@@H](C[NH3+])N[C@H](C)c1cccc(OCC[NH+](C)C)c1 ZINC000423258150 296397765 /nfs/dbraw/zinc/39/77/65/296397765.db2.gz BDNKARQKZKCFKC-WBVHZDCISA-N 2 0 307.482 2.651 20 0 DFADRP CC(C)C[C@H](CN)[NH2+][C@H](C)c1cccc(N2CCOCC2)c1 ZINC000423262639 296397992 /nfs/dbraw/zinc/39/79/92/296397992.db2.gz NAIZCOCYEGUMNA-NVXWUHKLSA-N 2 0 305.466 2.547 20 0 DFADRP C[C@@H]([NH2+][C@@H](CN)C1CCCCC1)c1ccc(S(C)(=O)=O)cc1 ZINC000423261340 296398024 /nfs/dbraw/zinc/39/80/24/296398024.db2.gz JSTCWAUILJEDSG-DYVFJYSZSA-N 2 0 324.490 2.648 20 0 DFADRP Cn1ccnc1[C@H]([NH2+]CC[C@@H]1CCC[NH2+]C1)c1cccc(F)c1 ZINC000423261709 296398033 /nfs/dbraw/zinc/39/80/33/296398033.db2.gz SSEGMUWPBQUXAX-WMLDXEAASA-N 2 0 316.424 2.628 20 0 DFADRP CC(C)CC[C@@H]1CCC[C@H]1[NH2+]Cc1cn([C@@H]2CC[NH2+]C2)nn1 ZINC000629406043 399595212 /nfs/dbraw/zinc/59/52/12/399595212.db2.gz UFWOWCJYVYGZIR-USXIJHARSA-N 2 0 305.470 2.507 20 0 DFADRP CC(C)CC[C@@H]1CCC[C@H]1[NH2+]Cc1cn([C@H]2CC[NH2+]C2)nn1 ZINC000629406038 399595240 /nfs/dbraw/zinc/59/52/40/399595240.db2.gz UFWOWCJYVYGZIR-BHYGNILZSA-N 2 0 305.470 2.507 20 0 DFADRP CC(C)C[C@H](C[NH3+])N[C@H](C)c1cccc(N2CCCC2=O)c1 ZINC000423267900 296398588 /nfs/dbraw/zinc/39/85/88/296398588.db2.gz UDGAPOUTWBZHCF-GDBMZVCRSA-N 2 0 303.450 2.837 20 0 DFADRP COc1cc2c(cc1OC)[C@H]([NH2+]CC[C@H]1CCC[NH2+]C1)CC2 ZINC000423279982 296400149 /nfs/dbraw/zinc/40/01/49/296400149.db2.gz TWYVAGPKKKTPFV-CZUORRHYSA-N 2 0 304.434 2.670 20 0 DFADRP [NH3+]C[C@H]1CCC[C@H]1[NH2+]C1CCN(c2ccc(F)cc2F)CC1 ZINC000423279177 296400161 /nfs/dbraw/zinc/40/01/61/296400161.db2.gz RPKURSGBFKOQIN-MLGOLLRUSA-N 2 0 309.404 2.651 20 0 DFADRP COc1ccc2c(c1)C[C@@H]([NH2+]Cc1ccc([C@H](C)[NH3+])cc1)CO2 ZINC000423291783 296401604 /nfs/dbraw/zinc/40/16/04/296401604.db2.gz JVAAQYHKYYHQJS-SUMWQHHRSA-N 2 0 312.413 2.808 20 0 DFADRP C[C@H]([NH2+]C[C@H]1CCCCO1)c1cccc(OCC[NH+](C)C)c1 ZINC000156404514 197110585 /nfs/dbraw/zinc/11/05/85/197110585.db2.gz VKMUMGVWDVCUGZ-MAUKXSAKSA-N 2 0 306.450 2.847 20 0 DFADRP CC(C)[N@H+](C)Cc1cccc(C[NH2+]Cc2cnc3ccnn3c2)c1 ZINC000624217545 399601662 /nfs/dbraw/zinc/60/16/62/399601662.db2.gz XESCKNKXIKMECL-UHFFFAOYSA-N 2 0 323.444 2.859 20 0 DFADRP Brc1cccc2c1CC[C@@H]2[NH2+]CC1=CC[NH2+]CC1 ZINC000423349820 296407382 /nfs/dbraw/zinc/40/73/82/296407382.db2.gz XQIKXYWZUKPAKZ-HNNXBMFYSA-N 2 0 307.235 2.946 20 0 DFADRP COc1cc2c(cc1F)[nH+]ccc2N1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000292367465 533163289 /nfs/dbraw/zinc/16/32/89/533163289.db2.gz RRZSGSVFGPIEOK-GOSISDBHSA-N 2 0 315.392 2.915 20 0 DFADRP Cc1ccc(C[C@H]([NH2+][C@H](C)CN2CC[NH+](C)CC2)C2CC2)cc1 ZINC000155151041 197027202 /nfs/dbraw/zinc/02/72/02/197027202.db2.gz ZHJREDVQNPCNML-XLIONFOSSA-N 2 0 315.505 2.542 20 0 DFADRP C[C@H]([NH2+][C@@H]1CCC[C@H]([NH3+])C1)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000423369489 296409340 /nfs/dbraw/zinc/40/93/40/296409340.db2.gz DWUOSZBURNWCNK-FPMFFAJLSA-N 2 0 301.434 2.837 20 0 DFADRP c1cc(C[NH2+][C@@H]2CCC[C@@H]([C@H]3CCOC3)C2)cc2c1C[NH2+]C2 ZINC000423368968 296409425 /nfs/dbraw/zinc/40/94/25/296409425.db2.gz DPCKFTGVGOUUPG-HHXXYDBFSA-N 2 0 300.446 2.975 20 0 DFADRP Cc1cc([C@H](C)[NH2+]C[C@H](N2CC[NH2+]CC2)C(F)(F)F)cs1 ZINC000423376149 296410288 /nfs/dbraw/zinc/41/02/88/296410288.db2.gz AQRJTZXHGCQUEA-AAEUAGOBSA-N 2 0 321.412 2.543 20 0 DFADRP Cn1nccc1[C@@H]1CCC[C@@H]([NH2+]Cc2ccc3c(c2)C[NH2+]C3)C1 ZINC000423391746 296411517 /nfs/dbraw/zinc/41/15/17/296411517.db2.gz PREYUVOETXHLLG-CRAIPNDOSA-N 2 0 310.445 2.839 20 0 DFADRP COCC1(C[NH2+][C@@H](C)c2nccc3ccccc32)CC[NH2+]CC1 ZINC000423397948 296412297 /nfs/dbraw/zinc/41/22/97/296412297.db2.gz CKSPBNCZGJBMCZ-HNNXBMFYSA-N 2 0 313.445 2.902 20 0 DFADRP COC(=O)CCC[C@@H]1CCC[C@@H]([NH2+][C@@H]2C[C@H]2C2CC[NH2+]CC2)C1 ZINC000423433559 296416436 /nfs/dbraw/zinc/41/64/36/296416436.db2.gz JZVMRCJEFCJMOD-XOYOTBSWSA-N 2 0 322.493 2.866 20 0 DFADRP COC(=O)[C@@H](c1ccccc1C)[N@@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC000602878017 399612566 /nfs/dbraw/zinc/61/25/66/399612566.db2.gz OISOYRBBYDURNA-QGZVFWFLSA-N 2 0 316.445 2.627 20 0 DFADRP C[C@H](CC(=O)N(C)c1ccccc1)[NH2+]C[C@H]1CCC[C@@H]([NH3+])C1 ZINC000423459748 296418285 /nfs/dbraw/zinc/41/82/85/296418285.db2.gz LVDZNIZKRWJEKR-OWCLPIDISA-N 2 0 303.450 2.535 20 0 DFADRP Cc1c([C@@H](C)[NH2+][C@@H](C)CCC[NH3+])nnn1-c1ccc(C)cc1 ZINC000423454848 296417947 /nfs/dbraw/zinc/41/79/47/296417947.db2.gz MBORBHNJVJVKLZ-UONOGXRCSA-N 2 0 301.438 2.662 20 0 DFADRP C[C@@H]([NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21)[C@@H](C)Oc1ccc(Cl)cc1Cl ZINC000423457911 296418053 /nfs/dbraw/zinc/41/80/53/296418053.db2.gz PNGQITDANFXYGH-HFWJBDJDSA-N 2 0 315.244 2.957 20 0 DFADRP C[C@H]1COCC[C@@H]1[NH2+]C[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC000423470634 296419098 /nfs/dbraw/zinc/41/90/98/296419098.db2.gz LNHLIMFUCIVFLR-PLYYQAHHSA-N 2 0 306.425 2.533 20 0 DFADRP C[C@H]([NH2+][C@H]1CC[C@H](C[NH3+])C1)c1ncc(Br)cc1F ZINC000423494079 296421984 /nfs/dbraw/zinc/42/19/84/296421984.db2.gz CTGCRQVJNMVZIJ-QXEWZRGKSA-N 2 0 316.218 2.761 20 0 DFADRP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+][C@@H]2CC[C@H](C[NH3+])C2)CC1 ZINC000423503267 296422969 /nfs/dbraw/zinc/42/29/69/296422969.db2.gz KIKMGCKFMKNSBU-IMFGXOCKSA-N 3 0 315.505 2.799 20 0 DFADRP C[C@H]([NH2+]CCCN1CC[NH+](C)CC1)c1cc2ccccc2o1 ZINC000120411059 195160813 /nfs/dbraw/zinc/16/08/13/195160813.db2.gz DXJFTQLRQZMSKL-HNNXBMFYSA-N 2 0 301.434 2.721 20 0 DFADRP CO[C@H](Cc1ccccc1)C[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000295037634 533209334 /nfs/dbraw/zinc/20/93/34/533209334.db2.gz NQHNBKRBLATAGM-RBUKOAKNSA-N 2 0 302.462 2.662 20 0 DFADRP COC[C@H]([NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1)c1ccc(F)c(F)c1 ZINC000423547151 296428888 /nfs/dbraw/zinc/42/88/88/296428888.db2.gz PQYKIAOWDIRPDG-WBOJAVRRSA-N 2 0 310.388 2.630 20 0 DFADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1ccsc1C ZINC000294423703 285281879 /nfs/dbraw/zinc/28/18/79/285281879.db2.gz FJAADAKTNRBYFP-HNNXBMFYSA-N 2 0 323.506 2.545 20 0 DFADRP COc1cc(C)c([C@H](C)[NH2+]CCC2=CC[NH2+]CC2)cc1OC ZINC000423571906 296429995 /nfs/dbraw/zinc/42/99/95/296429995.db2.gz XYMPGKVLESURSA-AWEZNQCLSA-N 2 0 304.434 2.973 20 0 DFADRP CC(C)C[C@H](C)C[NH2+]Cc1cccc(C(=O)NCC[NH+](C)C)c1 ZINC000348003114 285292382 /nfs/dbraw/zinc/29/23/82/285292382.db2.gz MCFZZTUZMGXNKP-INIZCTEOSA-N 2 0 319.493 2.750 20 0 DFADRP CC(C)[C@H](C(=O)N[C@H](C[NH3+])c1ccc2ccccc2c1)[C@H](C)[NH3+] ZINC000423614615 296433923 /nfs/dbraw/zinc/43/39/23/296433923.db2.gz QOBQOVWKOHHSOH-VHSSKADRSA-N 2 0 313.445 2.575 20 0 DFADRP CC(C)[C@H](C[N@H+](C)CCCN1CC[NH+](C)CC1)c1ccccc1 ZINC000289491178 221015435 /nfs/dbraw/zinc/01/54/35/221015435.db2.gz RPMMSCFKNOZLAZ-FQEVSTJZSA-N 2 0 317.521 2.996 20 0 DFADRP COCCOCc1ccc(C[N@@H+]2CCC[C@H]([NH+](C)C)CC2)cc1 ZINC000289578247 221080655 /nfs/dbraw/zinc/08/06/55/221080655.db2.gz HUBJDOCBVOPGFW-IBGZPJMESA-N 2 0 320.477 2.766 20 0 DFADRP COCc1cccc(CN(CCC[NH+](C)C)CCC[NH+](C)C)c1 ZINC000289704412 221168310 /nfs/dbraw/zinc/16/83/10/221168310.db2.gz GFZFMYAUKSPIQB-UHFFFAOYSA-N 2 0 321.509 2.538 20 0 DFADRP C[C@H]([NH3+])[C@H]1COCC[C@@H]1[N@@H+]1CC[C@@H](Oc2cccc(Cl)c2)C1 ZINC000629512922 399630612 /nfs/dbraw/zinc/63/06/12/399630612.db2.gz CZOGNTZJCADSGI-DXEWXGHRSA-N 2 0 324.852 2.545 20 0 DFADRP CCC[C@H](C)CCC[N@@H+]1CCC[C@@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000629517013 399632755 /nfs/dbraw/zinc/63/27/55/399632755.db2.gz XWQJFZZPHVLPCO-OKZBNKHCSA-N 2 0 323.525 2.783 20 0 DFADRP CO[C@H](C[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1)c1ccc(F)cc1 ZINC000629516607 399632898 /nfs/dbraw/zinc/63/28/98/399632898.db2.gz LNTCBDQXTAREPJ-CGTJXYLNSA-N 2 0 306.425 2.977 20 0 DFADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]C[C@H]1CCCN1CC(F)F ZINC000629520898 399633527 /nfs/dbraw/zinc/63/35/27/399633527.db2.gz ZHVQKDQGRZOLTL-QLFBSQMISA-N 2 0 303.441 2.616 20 0 DFADRP CCC[N@@H+]1CC[C@H](C[NH2+]Cc2ccc(COCCOC)cc2)C1 ZINC000289824066 221250486 /nfs/dbraw/zinc/25/04/86/221250486.db2.gz SVZLZXLGEONXBL-LJQANCHMSA-N 2 0 320.477 2.671 20 0 DFADRP C[C@H]([NH3+])[C@@H]1COCC[C@H]1[NH2+]Cc1c(Cl)oc2ccccc21 ZINC000629522982 399635734 /nfs/dbraw/zinc/63/57/34/399635734.db2.gz JGJCMCIWMRPKNA-LEWSCRJBSA-N 2 0 308.809 2.928 20 0 DFADRP C[NH2+]CCOCC[NH2+][C@@H](C)c1oc2ccc(OC)cc2c1C ZINC000629528880 399636260 /nfs/dbraw/zinc/63/62/60/399636260.db2.gz LZIBSYDXVPMLAL-ZDUSSCGKSA-N 2 0 306.406 2.636 20 0 DFADRP COCCSCCC[NH+]1CCC(C)([NH+]2CCCC2)CC1 ZINC000602950773 399637851 /nfs/dbraw/zinc/63/78/51/399637851.db2.gz MYQHOYWLQBLMCW-UHFFFAOYSA-N 2 0 300.512 2.706 20 0 DFADRP OCc1ccc(F)c(C[N@@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)c1 ZINC000629532033 399638046 /nfs/dbraw/zinc/63/80/46/399638046.db2.gz JCAQWQBWVRHTLJ-HOTGVXAUSA-N 2 0 306.425 2.530 20 0 DFADRP C[C@@H]1CSC[C@H]1[NH2+]C[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000294946830 224330418 /nfs/dbraw/zinc/33/04/18/224330418.db2.gz FEHNVBDVAYPTKQ-KBAYOESNSA-N 2 0 304.503 2.892 20 0 DFADRP C[N@@H+](Cc1ccccc1)CC1CC[NH+](CCc2cn[nH]c2)CC1 ZINC000289994747 221367769 /nfs/dbraw/zinc/36/77/69/221367769.db2.gz KRLMQZCYWRARKR-UHFFFAOYSA-N 2 0 312.461 2.796 20 0 DFADRP [NH3+]CCCOCC[NH2+][C@@H]1CCc2cc(Cl)cc(Cl)c21 ZINC000629540359 399640206 /nfs/dbraw/zinc/64/02/06/399640206.db2.gz SVARTISFMAQFLX-CYBMUJFWSA-N 2 0 303.233 2.936 20 0 DFADRP O[C@H](C[NH2+][C@@H]1C[C@H]1c1cccc2ccccc21)C[NH+]1CCCC1 ZINC000629577875 399653508 /nfs/dbraw/zinc/65/35/08/399653508.db2.gz DSMGQHLSMVHVFD-LSTHTHJFSA-N 2 0 310.441 2.742 20 0 DFADRP CC(C)c1ccc(C[C@H](C)[NH2+]C[C@H](O)C[NH+]2CCCC2)cc1 ZINC000629574916 399653746 /nfs/dbraw/zinc/65/37/46/399653746.db2.gz LSMWKZKTMNEEDR-LPHOPBHVSA-N 2 0 304.478 2.787 20 0 DFADRP C[N@H+](CCCOc1cccc2ccccc21)CCOCC[NH3+] ZINC000629579050 399653760 /nfs/dbraw/zinc/65/37/60/399653760.db2.gz PFMHUVQCGYXLEU-UHFFFAOYSA-N 2 0 302.418 2.516 20 0 DFADRP C[N@H+](CCOCC[NH3+])Cc1ccc(Cl)c(C(F)(F)F)c1 ZINC000629581146 399654280 /nfs/dbraw/zinc/65/42/80/399654280.db2.gz OPFLXLKUIIFQCE-UHFFFAOYSA-N 2 0 310.747 2.766 20 0 DFADRP COc1ccc([C@H](C[NH3+])C[N@@H+]2CCc3c(O)cccc3C2)cc1 ZINC000629582282 399655311 /nfs/dbraw/zinc/65/53/11/399655311.db2.gz RBIVQECKYJTGLS-MRXNPFEDSA-N 2 0 312.413 2.501 20 0 DFADRP C[C@@H]1[NH2+]CC[C@H]1N[C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000629544939 399642930 /nfs/dbraw/zinc/64/29/30/399642930.db2.gz OEWJXLRZLGUCJI-CJSSEVFESA-N 2 0 313.489 2.627 20 0 DFADRP C[C@@H]1[NH2+]CC[C@H]1N[C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000629544938 399643105 /nfs/dbraw/zinc/64/31/05/399643105.db2.gz OEWJXLRZLGUCJI-AEEMCCEDSA-N 2 0 313.489 2.627 20 0 DFADRP C[C@@H](C[C@H]1CCCCC[NH2+]1)[NH2+]Cc1ccc2oc(=O)n(C)c2c1 ZINC000629550015 399644983 /nfs/dbraw/zinc/64/49/83/399644983.db2.gz WDWCFSRKRRHVDF-DZGCQCFKSA-N 2 0 317.433 2.532 20 0 DFADRP Fc1ccc([C@H]2CCC[N@H+](C[C@@H]3CCC4(C[NH2+]C4)O3)C2)cc1F ZINC000629552069 399645188 /nfs/dbraw/zinc/64/51/88/399645188.db2.gz ZPRVYHZYLASUSB-GJZGRUSLSA-N 2 0 322.399 2.665 20 0 DFADRP CCC[C@H]([NH2+]Cc1cn([C@H]2CC[NH2+]C2)nn1)C1CCCCC1 ZINC000629553673 399646715 /nfs/dbraw/zinc/64/67/15/399646715.db2.gz WUZCYTCFYABFBO-IRXDYDNUSA-N 2 0 305.470 2.651 20 0 DFADRP C[C@H]([NH3+])[C@@H]1COCC[C@H]1[NH2+]CCc1c[nH]c2c1cccc2Cl ZINC000629556497 399647421 /nfs/dbraw/zinc/64/74/21/399647421.db2.gz RAZUDFLRQPVIIO-HZUKXOBISA-N 2 0 321.852 2.706 20 0 DFADRP CC(C)(C[NH2+]C[C@@H](O)C[NH+]1CCCC1)c1cccc(Cl)c1 ZINC000629559937 399649565 /nfs/dbraw/zinc/64/95/65/399649565.db2.gz VOLVCURVLZTGKF-MRXNPFEDSA-N 2 0 310.869 2.664 20 0 DFADRP C[NH2+]CCOCC[N@H+](C)Cc1ccc(F)c(C(F)(F)F)c1 ZINC000629654963 399677970 /nfs/dbraw/zinc/67/79/70/399677970.db2.gz UWJJOJIMBWPJIA-UHFFFAOYSA-N 2 0 308.319 2.512 20 0 DFADRP c1cc2c(c(C[NH+]3CCC(CO[C@@H]4CC[NH2+]C4)CC3)c1)CCC2 ZINC000629673528 399685144 /nfs/dbraw/zinc/68/51/44/399685144.db2.gz TVJYBSYWXCJXSB-LJQANCHMSA-N 2 0 314.473 2.766 20 0 DFADRP Cc1noc([C@H](C)N2CC[C@@H](CNc3cccc(C)[nH+]3)C2)n1 ZINC000624484669 399686514 /nfs/dbraw/zinc/68/65/14/399686514.db2.gz RXZYPBQMWRBHNU-JSGCOSHPSA-N 2 0 301.394 2.576 20 0 DFADRP C[NH2+]Cc1ccc(-c2ccccc2C[NH+]2CCN(C)CC2)cc1 ZINC000629735290 399707823 /nfs/dbraw/zinc/70/78/23/399707823.db2.gz PVQSHLRVLVFJNF-UHFFFAOYSA-N 2 0 309.457 2.820 20 0 DFADRP C[C@H]([NH3+])c1ccc(-c2cccc(C[C@H](C[NH3+])CO)c2)cc1F ZINC000629738708 399709919 /nfs/dbraw/zinc/70/99/19/399709919.db2.gz XVYMNQBXBNMRNS-GXTWGEPZSA-N 2 0 302.393 2.622 20 0 DFADRP CC(C)[C@@H]([NH2+][C@H](C)C1CC[NH+](C)CC1)c1nc(C2CC2)no1 ZINC000089670929 542531316 /nfs/dbraw/zinc/53/13/16/542531316.db2.gz PWSXXAXXRCGPDF-IUODEOHRSA-N 2 0 306.454 2.964 20 0 DFADRP c1ccc(C[N@H+]2C[C@@H]3CC[C@@H]([NH2+]C[C@H]4CCCO4)[C@@H]3C2)cc1 ZINC000294977704 224353687 /nfs/dbraw/zinc/35/36/87/224353687.db2.gz GGWHNGPRXSXWRJ-WJFTUGDTSA-N 2 0 300.446 2.666 20 0 DFADRP COCCCOc1cccc(C[NH2+][C@H](C)C2CC[NH+](C)CC2)c1 ZINC000090719043 542539068 /nfs/dbraw/zinc/53/90/68/542539068.db2.gz JHJCPWQCWHBGMR-MRXNPFEDSA-N 2 0 320.477 2.922 20 0 DFADRP CO[C@@H]1CCC[N@H+](Cc2ccc(OCC[NH+]3CCCC3)cc2)C1 ZINC000091772893 542541628 /nfs/dbraw/zinc/54/16/28/542541628.db2.gz NLMHLAQCCOCQGO-LJQANCHMSA-N 2 0 318.461 2.772 20 0 DFADRP COc1ccc(COCC[NH2+][C@H](C)C2CC[NH+](C)CC2)cc1 ZINC000091740762 542542209 /nfs/dbraw/zinc/54/22/09/542542209.db2.gz ZZLZVRBVTLZIGQ-OAHLLOKOSA-N 2 0 306.450 2.532 20 0 DFADRP CC(C)CO[C@@H]1CC[N@H+](Cc2ccc(OCC[NH+](C)C)cc2)C1 ZINC000091964153 542543877 /nfs/dbraw/zinc/54/38/77/542543877.db2.gz AURUXRBCJZGLKE-LJQANCHMSA-N 2 0 320.477 2.874 20 0 DFADRP CO[C@H](Cc1ccccc1)C[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000295037635 224394019 /nfs/dbraw/zinc/39/40/19/224394019.db2.gz NQHNBKRBLATAGM-RTBURBONSA-N 2 0 302.462 2.662 20 0 DFADRP C[NH+](C)Cc1ccc(-c2noc(CC[C@@H]3CCC[NH2+]C3)n2)cc1 ZINC000621246210 399732201 /nfs/dbraw/zinc/73/22/01/399732201.db2.gz QZPODXHYYFNKEW-AWEZNQCLSA-N 2 0 314.433 2.730 20 0 DFADRP CC[C@H]1CC[C@H]1[NH2+]CCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000348099694 285348249 /nfs/dbraw/zinc/34/82/49/285348249.db2.gz DUKNUILQQOZKER-VQTJNVASSA-N 2 0 315.505 2.973 20 0 DFADRP Cc1ccccc1C[NH+]1CCN(CC[NH+]2CCCCC2)CC1 ZINC000071810635 184849272 /nfs/dbraw/zinc/84/92/72/184849272.db2.gz SMZSLOFONMGOCR-UHFFFAOYSA-N 2 0 301.478 2.599 20 0 DFADRP O=C(CC[C@H]1CCC[NH2+]1)Nc1cccc(CC[NH+]2CCCC2)c1 ZINC000423769263 296445295 /nfs/dbraw/zinc/44/52/95/296445295.db2.gz GCQCXBAROTXJKG-QGZVFWFLSA-N 2 0 315.461 2.796 20 0 DFADRP Cc1ccc(C[N@@H+](C)CC2CC[NH+](C[C@@H](C)O)CC2)cc1C ZINC000121136194 195298643 /nfs/dbraw/zinc/29/86/43/195298643.db2.gz HOMFADLYCJBASZ-QGZVFWFLSA-N 2 0 304.478 2.828 20 0 DFADRP C[C@@H](C(=O)NCC(C)(C)[NH+]1CCCCC1)[NH+]1[C@H](C)CC[C@H]1C ZINC000121913349 195372768 /nfs/dbraw/zinc/37/27/68/195372768.db2.gz YGZBOKXTWWVPAX-OAGGEKHMSA-N 2 0 309.498 2.628 20 0 DFADRP CN(C)CC[NH+]1CCC(C[NH2+][C@@H]2CCc3cc(F)ccc32)CC1 ZINC000124321096 195628314 /nfs/dbraw/zinc/62/83/14/195628314.db2.gz ILBXOMSLUZCUCO-LJQANCHMSA-N 2 0 319.468 2.676 20 0 DFADRP CC[N@@H+]1CC[C@@H]([NH2+]C[C@@](C)(Cc2ccccc2)[C@@H](C)O)[C@H](C)C1 ZINC000188908618 285376688 /nfs/dbraw/zinc/37/66/88/285376688.db2.gz YORGDJFQHGSRJE-HNBVOPMISA-N 2 0 318.505 2.936 20 0 DFADRP CC[N@H+](CCCN1CCCC1=O)Cc1ccc(C[NH+](C)C)cc1 ZINC000626062009 399741236 /nfs/dbraw/zinc/74/12/36/399741236.db2.gz CNDAONJSOAQLCB-UHFFFAOYSA-N 2 0 317.477 2.583 20 0 DFADRP CC[N@@H+](Cc1ccc(C[NH+](C)C)cc1)C[C@H](O)COC(C)(C)C ZINC000626062371 399741442 /nfs/dbraw/zinc/74/14/42/399741442.db2.gz PZJWUNYWESNEIG-SFHVURJKSA-N 2 0 322.493 2.746 20 0 DFADRP COC[C@H]([NH2+]C1CC[NH+]([C@@H]2CCCC[C@H]2C)CC1)[C@@H]1CCCO1 ZINC000370533073 285396865 /nfs/dbraw/zinc/39/68/65/285396865.db2.gz IKRYPXQIMJFRMS-LULLPPNCSA-N 2 0 324.509 2.813 20 0 DFADRP COc1ccc2c(c1)C[C@H]([NH2+]C1C[C@H]3CC[C@@H](C1)[N@H+]3C)CC2 ZINC000295036147 533272857 /nfs/dbraw/zinc/27/28/57/533272857.db2.gz OGDCRHPWHFITKG-CSNJMZFVSA-N 2 0 300.446 2.767 20 0 DFADRP CO[C@@H](Cc1ccccc1)C[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000295037631 533375389 /nfs/dbraw/zinc/37/53/89/533375389.db2.gz NQHNBKRBLATAGM-OALUTQOASA-N 2 0 302.462 2.662 20 0 DFADRP C[C@@H]([NH2+]C[C@]1(C)CCCO1)c1cccc(OCC[NH+](C)C)c1 ZINC000167044987 533438211 /nfs/dbraw/zinc/43/82/11/533438211.db2.gz DLXBMUOTCOJBCE-QAPCUYQASA-N 2 0 306.450 2.847 20 0 DFADRP C[C@@H](CCO)CC[NH2+][C@@H](C)c1ccc(OCC[NH+](C)C)cc1 ZINC000297461262 533622257 /nfs/dbraw/zinc/62/22/57/533622257.db2.gz XVYDDCRVEWRYIW-CVEARBPZSA-N 2 0 308.466 2.686 20 0 DFADRP CCC[NH+]1CCC([NH2+][C@@H]2CCN(C(=O)C3CCCCC3)C2)CC1 ZINC000123743393 542594111 /nfs/dbraw/zinc/59/41/11/542594111.db2.gz VWVIBTKJDSDRFA-GOSISDBHSA-N 2 0 321.509 2.632 20 0 DFADRP C[C@@H]([NH2+]CCCN1CCc2ccccc2C1)C1CC[NH+](C)CC1 ZINC000122815267 542590296 /nfs/dbraw/zinc/59/02/96/542590296.db2.gz ZADHTGXEPUNBBW-QGZVFWFLSA-N 2 0 315.505 2.755 20 0 DFADRP CCC[NH+]1CCC(NC[C@H](c2ccc(F)cc2)[NH+](C)C)CC1 ZINC000124753691 542598873 /nfs/dbraw/zinc/59/88/73/542598873.db2.gz DHESXUWMZDCPJQ-GOSISDBHSA-N 2 0 307.457 2.892 20 0 DFADRP C[C@@H]([NH2+]C[C@H](c1ccc(F)cc1)N(C)C)C1CC[NH+](C)CC1 ZINC000124876123 542599341 /nfs/dbraw/zinc/59/93/41/542599341.db2.gz ZRMQMQRPUVMRKU-RDTXWAMCSA-N 2 0 307.457 2.748 20 0 DFADRP CCN(CC)c1ccc(C[NH2+][C@@H](C)C2CC[NH+](C)CC2)cn1 ZINC000126897102 542609473 /nfs/dbraw/zinc/60/94/73/542609473.db2.gz FWTZKSJJLFTXQG-HNNXBMFYSA-N 2 0 304.482 2.748 20 0 DFADRP [NH3+][C@H](CCC(=O)N1CCC[C@@H]2C[NH2+]CC[C@@H]21)CC1CCCCC1 ZINC000632865577 399771594 /nfs/dbraw/zinc/77/15/94/399771594.db2.gz VHPQATCITVLTLS-KURKYZTESA-N 2 0 321.509 2.665 20 0 DFADRP Cc1cc(Cl)ccc1C[NH2+]CCCN1CCC[N@@H+](C)CC1 ZINC000129454625 542623963 /nfs/dbraw/zinc/62/39/63/542623963.db2.gz QYXGTEOXSYDFEO-UHFFFAOYSA-N 2 0 309.885 2.766 20 0 DFADRP CCc1ccccc1[C@H]([NH3+])CNC(=O)[C@H]([NH3+])CC1CCCCC1 ZINC000423938967 296468329 /nfs/dbraw/zinc/46/83/29/296468329.db2.gz KZMNIUBTHJIHAR-QZTJIDSGSA-N 2 0 317.477 2.663 20 0 DFADRP COc1ccc(O[C@H](C)C[NH2+][C@H](C)C2CC[NH+](C)CC2)cc1 ZINC000129091364 542621912 /nfs/dbraw/zinc/62/19/12/542621912.db2.gz UTEVHSAHAPAIHJ-HUUCEWRRSA-N 2 0 306.450 2.782 20 0 DFADRP CC1(C)[C@H]([NH2+]CCOc2ccc(OC(F)(F)F)cc2)C[C@@H]1[NH3+] ZINC000603432615 399775068 /nfs/dbraw/zinc/77/50/68/399775068.db2.gz JKGLJXASADUORW-QWHCGFSZSA-N 2 0 318.339 2.679 20 0 DFADRP C[C@H]([NH2+]Cc1cn2cc(Cl)ccc2n1)C1CC[NH+](C)CC1 ZINC000131610144 542638014 /nfs/dbraw/zinc/63/80/14/542638014.db2.gz RPPLPJGKOHEWKB-LBPRGKRZSA-N 2 0 306.841 2.808 20 0 DFADRP CN(C)c1ccc(C[NH+]2CCC(CCC[NH+](C)C)CC2)cn1 ZINC000131288601 542636433 /nfs/dbraw/zinc/63/64/33/542636433.db2.gz AHDWULCTRNHMDQ-UHFFFAOYSA-N 2 0 304.482 2.701 20 0 DFADRP C[C@@H]([NH2+]Cc1ccc(OCC2CC2)nc1)C1CC[NH+](C)CC1 ZINC000131431910 542637497 /nfs/dbraw/zinc/63/74/97/542637497.db2.gz RACBKHDYYLGPIN-CQSZACIVSA-N 2 0 303.450 2.690 20 0 DFADRP C[C@H](C[N@H+](CCO)C1CCN(C)CC1)c1cccc(Cl)c1 ZINC000275757117 130379409 /nfs/dbraw/zinc/37/94/09/130379409.db2.gz UCIVVWDXEBOVIH-CQSZACIVSA-N 2 0 310.869 2.832 20 0 DFADRP C[C@H]([NH2+][C@@H]1CCCN(Cc2ccccc2)C1)C1CC[NH+](C)CC1 ZINC000132794957 542643119 /nfs/dbraw/zinc/64/31/19/542643119.db2.gz DGSFRSCUHZMYAZ-FXAWDEMLSA-N 2 0 315.505 2.971 20 0 DFADRP CCC[N@H+](C)C[C@H]1CC[NH+](C[C@H](O)Cc2cccc(Cl)c2)C1 ZINC000287966132 131307703 /nfs/dbraw/zinc/30/77/03/131307703.db2.gz ZANBMHKFIZKPRK-SJLPKXTDSA-N 2 0 324.896 2.907 20 0 DFADRP COCCC[NH+]1CCC([NH2+][C@H]2CCc3ccc(F)cc32)CC1 ZINC000159146731 542716142 /nfs/dbraw/zinc/71/61/42/542716142.db2.gz NUESAJXNSOYAOX-SFHVURJKSA-N 2 0 306.425 2.904 20 0 DFADRP CC[NH+](CC)Cc1ccc(C(=O)NCC[C@H](C)[NH+](C)C)cc1 ZINC000617749234 399788842 /nfs/dbraw/zinc/78/88/42/399788842.db2.gz GQTLGCQETBNYJR-HNNXBMFYSA-N 2 0 305.466 2.598 20 0 DFADRP C[C@H](CC[NH2+][C@H]1CCO[C@@H](C(F)(F)F)C1)[NH+]1CCCCC1 ZINC000348362441 285510934 /nfs/dbraw/zinc/51/09/34/285510934.db2.gz AFADGZYMDYXKIV-HZSPNIEDSA-N 2 0 308.388 2.950 20 0 DFADRP C[C@@H](CCCC(F)(F)F)[NH2+]CC(C)(C)N1CC[NH+](C)CC1 ZINC000163238633 542740945 /nfs/dbraw/zinc/74/09/45/542740945.db2.gz UMYWVTZWCKUXEU-ZDUSSCGKSA-N 2 0 309.420 2.723 20 0 DFADRP CC[C@@H]([NH2+]CCN1CCC(OC)CC1)c1ccc(OC)cc1 ZINC000163677041 542743114 /nfs/dbraw/zinc/74/31/14/542743114.db2.gz FFJNCESUOOWVQH-GOSISDBHSA-N 2 0 306.450 2.847 20 0 DFADRP COc1ccc([C@@H](C)[C@@H](C)[NH2+]CCN2CCC(OC)CC2)cc1 ZINC000163702642 542743198 /nfs/dbraw/zinc/74/31/98/542743198.db2.gz SNIZTIVRUJVCON-JKSUJKDBSA-N 2 0 320.477 2.888 20 0 DFADRP C(N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)C1([NH+]2CCSCC2)CCCC1 ZINC000166142001 542749631 /nfs/dbraw/zinc/74/96/31/542749631.db2.gz VAOXKUCJLTZXDL-IAGOWNOFSA-N 2 0 323.550 2.564 20 0 DFADRP CC(C)C(=O)Nc1ccc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000166053122 542749880 /nfs/dbraw/zinc/74/98/80/542749880.db2.gz UAGJJHKTLKLIOO-QZTJIDSGSA-N 2 0 315.461 2.998 20 0 DFADRP CC(=O)Nc1ccc(CC[NH2+][C@@H](C)C2CC[NH+](C)CC2)cc1 ZINC000165693160 542750009 /nfs/dbraw/zinc/75/00/09/542750009.db2.gz PPJFYXCAYYLOKV-AWEZNQCLSA-N 2 0 303.450 2.507 20 0 DFADRP c1cc(C[NH+]2CCCC2)ccc1C[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000166030752 542750474 /nfs/dbraw/zinc/75/04/74/542750474.db2.gz IYLJLOUOCIRATF-WOJBJXKFSA-N 3 0 313.489 2.999 20 0 DFADRP c1ccc(C2(C[NH2+][C@@H]3CC[N@@H+]4CCC[C@@H]4C3)CCOCC2)cc1 ZINC000166140975 542750545 /nfs/dbraw/zinc/75/05/45/542750545.db2.gz OLPATJPZOGZTAC-RTBURBONSA-N 2 0 314.473 2.951 20 0 DFADRP C[C@H](C[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1)N1CCc2ccccc2C1 ZINC000166348723 542750854 /nfs/dbraw/zinc/75/08/54/542750854.db2.gz WKAFWRKEDBBEJF-LSTHTHJFSA-N 2 0 313.489 2.650 20 0 DFADRP Cc1ccc([C@H](CNC(=O)CC[NH2+]C(C)C)[NH+]2CCCC2)cc1 ZINC000166325124 542751866 /nfs/dbraw/zinc/75/18/66/542751866.db2.gz BEXBCXYPVRLFAG-SFHVURJKSA-N 2 0 317.477 2.636 20 0 DFADRP C[C@H](CN[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)[NH+](C)Cc1ccccc1 ZINC000166563359 542751976 /nfs/dbraw/zinc/75/19/76/542751976.db2.gz FUVPKSLYIIMZGG-BHIYHBOVSA-N 2 0 301.478 2.723 20 0 DFADRP CCC(CC)(CNC(=O)[C@@H](C)C[NH2+]C)[NH2+][C@@H](C)c1ccccc1 ZINC000168759731 542754285 /nfs/dbraw/zinc/75/42/85/542754285.db2.gz SWTOTNGZKYZYEA-HOTGVXAUSA-N 2 0 319.493 2.868 20 0 DFADRP C[NH+](C)CC1CCC([NH2+][C@@H]2CCO[C@@H](C(F)(F)F)C2)CC1 ZINC000348372027 285514633 /nfs/dbraw/zinc/51/46/33/285514633.db2.gz HOUJAMWEFPTZHS-NWINJMCUSA-N 2 0 308.388 2.806 20 0 DFADRP C[C@@H]1CC[NH2+][C@H](C)[C@@H]1NC(=O)CC[C@@H]([NH3+])CC1CCCCC1 ZINC000424179703 296490889 /nfs/dbraw/zinc/49/08/89/296490889.db2.gz TYAAUTFIVAUIFF-GZOSKZMVSA-N 2 0 309.498 2.567 20 0 DFADRP C[C@H](C[NH2+][C@H]1CCSc2c(F)cccc21)N1CC[NH+](C)CC1 ZINC000178773805 542778192 /nfs/dbraw/zinc/77/81/92/542778192.db2.gz JPPCQAVEGSYECV-CJNGLKHVSA-N 2 0 323.481 2.588 20 0 DFADRP [NH3+][C@H](CCC(=O)NC[C@@H]1CCC[C@@H]([NH3+])C1)CC1CCCCC1 ZINC000424174583 296490566 /nfs/dbraw/zinc/49/05/66/296490566.db2.gz MQHSMALZYAMMGL-BRWVUGGUSA-N 2 0 309.498 2.698 20 0 DFADRP C[NH+]1CCN(c2cccc(Cl)c2C[NH2+][C@@H]2C[C@H]3C[C@H]3C2)CC1 ZINC000424210101 296493251 /nfs/dbraw/zinc/49/32/51/296493251.db2.gz VLMUGQGKCWZIQY-QDMKHBRRSA-N 2 0 319.880 2.980 20 0 DFADRP CC1CC[NH+](Cc2ccc(NC(=O)[C@@H]3CCC[C@@H]3[NH3+])cc2)CC1 ZINC000236636928 542895475 /nfs/dbraw/zinc/89/54/75/542895475.db2.gz BJHZSGGSTRCXMN-MSOLQXFVSA-N 2 0 315.461 2.984 20 0 DFADRP CC1CC[NH+](Cc2cccc(CNC(=O)CC(C)(C)[NH3+])c2)CC1 ZINC000236713712 542896406 /nfs/dbraw/zinc/89/64/06/542896406.db2.gz HRHRBNMSQYPHEZ-UHFFFAOYSA-N 2 0 317.477 2.662 20 0 DFADRP [NH3+]C1(CC(=O)Nc2ccc(CC[NH+]3CCCC3)cc2)CCC1 ZINC000237725639 542905474 /nfs/dbraw/zinc/90/54/74/542905474.db2.gz RKNJHDSJYCFXMP-UHFFFAOYSA-N 2 0 301.434 2.535 20 0 DFADRP CC(C)(C)c1cccc(OCCC[NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000603932801 399818282 /nfs/dbraw/zinc/81/82/82/399818282.db2.gz PGEUSNMFFVLXCY-HZPDHXFCSA-N 2 0 302.462 2.904 20 0 DFADRP C[C@@H](C[C@H]1CCC[NH2+]1)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000261556788 542951811 /nfs/dbraw/zinc/95/18/11/542951811.db2.gz WIJCUNJWJCMWFT-QFBILLFUSA-N 2 0 301.478 2.771 20 0 DFADRP COc1cc2[nH+]ccc(N(C)[C@H](C)C[NH3+])c2cc1Br ZINC000424417810 296508123 /nfs/dbraw/zinc/50/81/23/296508123.db2.gz XTERXBVGSJTFDW-SECBINFHSA-N 2 0 324.222 2.789 20 0 DFADRP C[C@H]1C[C@@H]([NH2+]CCc2cccc(C(F)(F)F)n2)CC[N@@H+]1C ZINC000293768074 543020549 /nfs/dbraw/zinc/02/05/49/543020549.db2.gz RWKKAVCTVJFTMK-AAEUAGOBSA-N 2 0 301.356 2.715 20 0 DFADRP C[NH+]1CCC(C[NH2+]Cc2cscc2Br)CC1 ZINC000304530083 543049382 /nfs/dbraw/zinc/04/93/82/543049382.db2.gz GRIHUQRKDRQKSA-UHFFFAOYSA-N 2 0 303.269 2.942 20 0 DFADRP C[C@H]([NH2+]CC1(O)CCCC1)c1ccc(OCC[NH+](C)C)cc1 ZINC000305126431 543054855 /nfs/dbraw/zinc/05/48/55/543054855.db2.gz LIRKKXHQHPHMKX-HNNXBMFYSA-N 2 0 306.450 2.583 20 0 DFADRP c1ccc(C[N@H+]2CC[C@H](C[NH2+]CCC3CCOCC3)C2)cc1 ZINC000309821770 543065643 /nfs/dbraw/zinc/06/56/43/543065643.db2.gz ZSYRYXAWYQNDCP-LJQANCHMSA-N 2 0 302.462 2.915 20 0 DFADRP C[NH+]1CCN(C(C)(C)C[NH2+][C@H]2CCSc3ccccc32)CC1 ZINC000314329343 543069088 /nfs/dbraw/zinc/06/90/88/543069088.db2.gz ITAKXHXCFHJSOT-INIZCTEOSA-N 2 0 319.518 2.839 20 0 DFADRP O=C(CC[C@H]1CCC[NH2+]1)Nc1ccc(C[NH+]2CCCC2)cc1 ZINC000320512706 543082264 /nfs/dbraw/zinc/08/22/64/543082264.db2.gz QGTPRPIZQLUBRJ-MRXNPFEDSA-N 2 0 301.434 2.753 20 0 DFADRP C(C[NH+]1CCC(C[NH+]2CCCCCC2)CC1)OC1CCOCC1 ZINC000625081410 399842318 /nfs/dbraw/zinc/84/23/18/399842318.db2.gz OWDYUENHSLPCSK-UHFFFAOYSA-N 2 0 324.509 2.770 20 0 DFADRP Cc1cccc(N2CC[NH+](Cc3cccc4c3CC[NH2+]C4)CC2)c1 ZINC000325632901 543095801 /nfs/dbraw/zinc/09/58/01/543095801.db2.gz XDAKEAJGPGOYGC-UHFFFAOYSA-N 2 0 321.468 2.963 20 0 DFADRP C[C@@H]1CCCC[N@@H+]1CCC(=O)NC1CC[NH+](C(C)(C)C)CC1 ZINC000339266332 543142962 /nfs/dbraw/zinc/14/29/62/543142962.db2.gz YGKBVDNHAUJOKY-OAHLLOKOSA-N 2 0 309.498 2.630 20 0 DFADRP CN(CCC[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccccc1F ZINC000339070033 543140205 /nfs/dbraw/zinc/14/02/05/543140205.db2.gz VTOXNQPJIUBDRA-HOTGVXAUSA-N 2 0 305.441 2.868 20 0 DFADRP CCCN(CC[NH+]1CCCC1)C(=O)CC[N@@H+]1CCCC[C@H]1C ZINC000342204639 543161701 /nfs/dbraw/zinc/16/17/01/543161701.db2.gz HHBLBGTURWFMIY-QGZVFWFLSA-N 2 0 309.498 2.585 20 0 DFADRP CC(C)[C@H]1CC[C@H]1[NH2+]Cc1ccncc1OCCC[NH+](C)C ZINC000343945634 543169791 /nfs/dbraw/zinc/16/97/91/543169791.db2.gz WJKMMNPGVQYWMN-IAGOWNOFSA-N 2 0 305.466 2.936 20 0 DFADRP O[C@@H]1CC[N@H+](Cc2ccccc2C[NH2+][C@H]2CC[C@@H]2C2CC2)C1 ZINC000348385284 543184710 /nfs/dbraw/zinc/18/47/10/543184710.db2.gz WAOXBLBNPUPJMZ-QRVBRYPASA-N 2 0 300.446 2.531 20 0 DFADRP COC1(C[N@@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@H]32)CCCCC1 ZINC000361544065 292112219 /nfs/dbraw/zinc/11/22/19/292112219.db2.gz RQKUXVVVPOCWID-GVDBMIGSSA-N 2 0 310.482 2.519 20 0 DFADRP CC(C)n1ncc2c1C[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@@H]3CCC[C@H]31)CC2 ZINC000353687563 543238893 /nfs/dbraw/zinc/23/88/93/543238893.db2.gz MCTJIKMSXXBSAX-XMTFNYHQSA-N 2 0 316.493 2.784 20 0 DFADRP CCC[NH+]1CCC([NH2+]C[C@@](C)(CO)Cc2ccccc2)CC1 ZINC000357781508 543263806 /nfs/dbraw/zinc/26/38/06/543263806.db2.gz ARNUEWMHQYUPBN-IBGZPJMESA-N 2 0 304.478 2.692 20 0 DFADRP C/C=C\C[C@H](CO)[NH2+][C@@H](C)c1ccc(OCC[NH+](C)C)cc1 ZINC000349382776 285854043 /nfs/dbraw/zinc/85/40/43/285854043.db2.gz SYRNESPKDRJTMQ-HXHJPBPVSA-N 2 0 306.450 2.605 20 0 DFADRP CCc1ccc([C@H](C)[NH2+]CC(C)(C)N2CC[NH+](C)CC2)cc1 ZINC000387024581 543302041 /nfs/dbraw/zinc/30/20/41/543302041.db2.gz JBPPOHRSUZASGU-INIZCTEOSA-N 2 0 303.494 2.926 20 0 DFADRP C[C@@H](CCNC(=O)C1CCC([NH3+])CC1)[N@H+](C)Cc1ccccc1 ZINC000379682723 543297432 /nfs/dbraw/zinc/29/74/32/543297432.db2.gz YJLHJGUNSUIYDG-ZLPCBKJTSA-N 2 0 317.477 2.531 20 0 DFADRP [NH3+][C@@H]1CCC[C@@H](NC[C@H]2CCCC[N@@H+]2Cc2ccccc2)C1 ZINC000379629325 543297561 /nfs/dbraw/zinc/29/75/61/543297561.db2.gz OSWMFUCJLZEVBX-GUDVDZBRSA-N 2 0 301.478 2.901 20 0 DFADRP C[C@H]([NH2+][C@H]1CCCN(C)C1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000381802330 543298255 /nfs/dbraw/zinc/29/82/55/543298255.db2.gz UOGITISPMPBAHK-WDSOQIARSA-N 2 0 301.478 2.581 20 0 DFADRP c1ccc(C[N@H+]2CCC[C@H](C[NH2+]CC[C@H]3CCOC3)C2)cc1 ZINC000400611535 543311623 /nfs/dbraw/zinc/31/16/23/543311623.db2.gz LXOUZURBZBSLGI-RBUKOAKNSA-N 2 0 302.462 2.915 20 0 DFADRP c1ccc(C[N@H+]2CCC[C@H](C[NH2+]CC[C@@H]3CCOC3)C2)cc1 ZINC000400611538 543311676 /nfs/dbraw/zinc/31/16/76/543311676.db2.gz LXOUZURBZBSLGI-RTBURBONSA-N 2 0 302.462 2.915 20 0 DFADRP [NH3+]Cc1cccc(NC(=O)N2CCC([NH+]3CCCCC3)CC2)c1 ZINC000390713682 543306968 /nfs/dbraw/zinc/30/69/68/543306968.db2.gz JRCZSOGQTBMVOW-UHFFFAOYSA-N 2 0 316.449 2.628 20 0 DFADRP O=C(C[C@@H]1CCC[NH2+]1)Nc1cccc(C[NH+]2CCCCC2)c1 ZINC000165137475 145229918 /nfs/dbraw/zinc/22/99/18/145229918.db2.gz PBGRTYSGOZPMDR-INIZCTEOSA-N 2 0 301.434 2.753 20 0 DFADRP CC(C)[C@H](O)CC[NH2+][C@@H](C)c1cccc(OCC[NH+](C)C)c1 ZINC000165399587 145230803 /nfs/dbraw/zinc/23/08/03/145230803.db2.gz VSMLWOOKLWWWGN-MAUKXSAKSA-N 2 0 308.466 2.685 20 0 DFADRP CC(C)C[C@H]([NH3+])C(=O)Nc1ccc(CC[NH+]2CCCC2)cc1 ZINC000165920912 145232916 /nfs/dbraw/zinc/23/29/16/145232916.db2.gz JRLYYZSYESRKRV-KRWDZBQOSA-N 2 0 303.450 2.637 20 0 DFADRP C[C@@H]([NH3+])[C@@H]1CCN(CC(=O)Nc2ccc(Cl)c(Cl)c2)C1 ZINC000168656500 145244475 /nfs/dbraw/zinc/24/44/75/145244475.db2.gz JTXBCQMZNBVMGY-NXEZZACHSA-N 2 0 316.232 2.601 20 0 DFADRP Cc1cccc(NC(=O)C[C@H](C)[NH2+][C@H]2CCC[C@@H]([NH3+])C2)c1C ZINC000414930184 543327739 /nfs/dbraw/zinc/32/77/39/543327739.db2.gz SPAHTBMKCOAOAT-IMJJTQAJSA-N 2 0 303.450 2.880 20 0 DFADRP [NH3+][C@H]1CCC[C@H](NC2CC[NH+](CCc3ccc(F)cc3)CC2)C1 ZINC000414925357 543327943 /nfs/dbraw/zinc/32/79/43/543327943.db2.gz LQMJQAHQFUBNSP-HKUYNNGSSA-N 2 0 319.468 2.692 20 0 DFADRP C[C@@H](C[NH2+]CCC[NH3+])Sc1ccc(Br)cc1 ZINC000415083906 543328609 /nfs/dbraw/zinc/32/86/09/543328609.db2.gz GCLILPZUKJNDKT-JTQLQIEISA-N 2 0 303.269 2.868 20 0 DFADRP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@@H]1CCCc2c(Cl)cccc21 ZINC000349492923 285872988 /nfs/dbraw/zinc/87/29/88/285872988.db2.gz HDUGBIFLBKHFBB-RDTXWAMCSA-N 2 0 321.896 2.943 20 0 DFADRP C[C@@H](C(=O)N1CC[C@H](C[NH+]2CCCCC2)C1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000174384433 145377456 /nfs/dbraw/zinc/37/74/56/145377456.db2.gz OPCJRHCYFFSIPJ-XWTMOSNGSA-N 2 0 321.509 2.582 20 0 DFADRP [NH3+][C@@H]1CCC[C@@H](Nc2nccc(N3Cc4ccccc4C3)n2)C1 ZINC000630513537 399897059 /nfs/dbraw/zinc/89/70/59/399897059.db2.gz ODQRIVXOKDFMLV-HZPDHXFCSA-N 2 0 309.417 2.679 20 0 DFADRP C[NH+]1CCN(c2cc[nH+]c(NCc3cc4ccccc4[nH]3)c2)CC1 ZINC000630959984 399953720 /nfs/dbraw/zinc/95/37/20/399953720.db2.gz ARZZDNUQVUGWLS-UHFFFAOYSA-N 2 0 321.428 2.927 20 0 DFADRP COc1cc(Cl)c(C[NH2+]CC2=CC[N@H+](C)CC2)cc1OC ZINC000631107739 399982174 /nfs/dbraw/zinc/98/21/74/399982174.db2.gz DWDVIYFAVGQLHV-UHFFFAOYSA-N 2 0 310.825 2.709 20 0 DFADRP Cc1cc(CNC(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)cc(C)n1 ZINC000627786507 399962242 /nfs/dbraw/zinc/96/22/42/399962242.db2.gz TVYCHPUVVZSQES-MOPGFXCFSA-N 2 0 323.440 2.660 20 0 DFADRP Cc1scc(C[NH2+]C[C@@H](C(C)C)N2CC[NH+](C)CC2)c1C ZINC000631039151 399967008 /nfs/dbraw/zinc/96/70/08/399967008.db2.gz SBNFWKIUXKTUMA-KRWDZBQOSA-N 2 0 309.523 2.727 20 0 DFADRP C[C@@H]1CCC[N@H+](CCCC[NH2+]Cc2c3c(nn2C)CCCC3)C1 ZINC000631042660 399967823 /nfs/dbraw/zinc/96/78/23/399967823.db2.gz KWNGANBLGBALIS-MRXNPFEDSA-N 2 0 318.509 2.901 20 0 DFADRP O=c1ccc(C[NH2+]C[C@@H]2CCC[N@H+](Cc3ccccc3)C2)c[nH]1 ZINC000631055710 399970568 /nfs/dbraw/zinc/97/05/68/399970568.db2.gz DZGSPKXVNFYKIE-SFHVURJKSA-N 2 0 311.429 2.789 20 0 DFADRP Cc1ccc(C[NH2+]C2CCN(C3CC[NH+](C)CC3)CC2)c(F)c1 ZINC000631057638 399970888 /nfs/dbraw/zinc/97/08/88/399970888.db2.gz YKZAGTZDFYJXTB-UHFFFAOYSA-N 2 0 319.468 2.782 20 0 DFADRP Cc1cc(C)c(/C=C/C[NH2+]C[C@H](C)N2CC[NH+](C)CC2)c(C)c1 ZINC000631065415 399973128 /nfs/dbraw/zinc/97/31/28/399973128.db2.gz RPRLZWWRXREOCD-GHOSXJJBSA-N 2 0 315.505 2.851 20 0 DFADRP Cc1cc(C)c(/C=C/C[NH2+]CC2(O)CC[NH+](C)CC2)cc1C ZINC000631078737 399976276 /nfs/dbraw/zinc/97/62/76/399976276.db2.gz XGDFVUDESNCRHH-AATRIKPKSA-N 2 0 302.462 2.671 20 0 DFADRP CC[NH+]1CCN(CC(C)(C)[NH2+]Cc2csc(C)c2C)CC1 ZINC000631154123 399991273 /nfs/dbraw/zinc/99/12/73/399991273.db2.gz FEGIYISYVBMCFP-UHFFFAOYSA-N 2 0 309.523 2.871 20 0 DFADRP C[NH+](C)C1CCC([NH2+]Cc2ccncc2Br)CC1 ZINC000631162097 399993248 /nfs/dbraw/zinc/99/32/48/399993248.db2.gz XVTUUFDNLOZHNJ-UHFFFAOYSA-N 2 0 312.255 2.807 20 0 DFADRP Cc1ccc([C@H](C)C[NH+]2CCC([N@@H+](C)C[C@H](C)O)CC2)cc1 ZINC000628165772 399994912 /nfs/dbraw/zinc/99/49/12/399994912.db2.gz LSENEHQLMFOKTO-SJORKVTESA-N 2 0 304.478 2.876 20 0 DFADRP Cc1ccc([C@@H](C)C[N@@H+]2CC[C@@H](CN3CCOCC3)C2)cc1 ZINC000628184020 399997440 /nfs/dbraw/zinc/99/74/40/399997440.db2.gz XFCCYSABRHLENT-ROUUACIJSA-N 2 0 302.462 2.753 20 0 DFADRP CC(=O)Nc1cccc(C[NH2+]CC2CC[NH+](CC3CC3)CC2)c1 ZINC000631179829 399997471 /nfs/dbraw/zinc/99/74/71/399997471.db2.gz XYQZGQWHCBBTCU-UHFFFAOYSA-N 2 0 315.461 2.857 20 0 DFADRP Cc1ccc([C@@H](C)C[NH2+][C@H]2CCN(C3CC[NH+](C)CC3)C2)cc1 ZINC000628214880 400002885 /nfs/dbraw/zinc/00/28/85/400002885.db2.gz QIYPKZNECNFXPH-HKUYNNGSSA-N 2 0 315.505 2.857 20 0 DFADRP Cc1ccc([C@@H](C)C[NH2+]CCCC[N@@H+]2CCC[C@H]2CO)cc1 ZINC000628217294 400003569 /nfs/dbraw/zinc/00/35/69/400003569.db2.gz ROTHRRWALQOLBN-HKUYNNGSSA-N 2 0 304.478 2.925 20 0 DFADRP Cc1ccc([C@H](C)C[NH2+]CCN2CCC([NH+](C)C)CC2)cc1 ZINC000628233694 400005051 /nfs/dbraw/zinc/00/50/51/400005051.db2.gz QHFVFSIAUKPBSH-QGZVFWFLSA-N 2 0 303.494 2.714 20 0 DFADRP Cc1ccc([C@H](C)C[NH2+]CCN2CC[N@H+](C)C(C)(C)C2)cc1 ZINC000628261455 400010222 /nfs/dbraw/zinc/01/02/22/400010222.db2.gz WZSCQUVRZHRHCU-QGZVFWFLSA-N 2 0 303.494 2.714 20 0 DFADRP CCC[C@H]([NH2+]C[C@@H](C)N1CC[NH+](CC)CC1)c1cc(C)ccn1 ZINC000631569183 400052360 /nfs/dbraw/zinc/05/23/60/400052360.db2.gz KAVRDDHIUYTKNL-MSOLQXFVSA-N 2 0 318.509 2.847 20 0 DFADRP CC(C)C[N@@H+]1CCC[C@@H](C[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)C1 ZINC000631601750 400057277 /nfs/dbraw/zinc/05/72/77/400057277.db2.gz VKJGFHHWQLKSBM-FJIDUMEYSA-N 2 0 306.494 2.902 20 0 DFADRP C([NH2+][C@H]1[C@@H]2CCO[C@@H]2C12CCCC2)[C@H]1CCN1C1CCCC1 ZINC000631651919 400062117 /nfs/dbraw/zinc/06/21/17/400062117.db2.gz XXIJHJNJAWICQI-OWSLCNJRSA-N 2 0 304.478 2.941 20 0 DFADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C[NH2+][C@@H]1CCOC[C@@H]1C ZINC000631665360 400064014 /nfs/dbraw/zinc/06/40/14/400064014.db2.gz WMAPBIMFHDMCLG-KCITZHQASA-N 2 0 302.462 2.769 20 0 DFADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C[NH2+][C@@H]1CCOC[C@H]1C ZINC000631665362 400064038 /nfs/dbraw/zinc/06/40/38/400064038.db2.gz WMAPBIMFHDMCLG-ZAWLATJESA-N 2 0 302.462 2.769 20 0 DFADRP C[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]CC[C@@H](O)C(F)F)CC1 ZINC000631696890 400067799 /nfs/dbraw/zinc/06/77/99/400067799.db2.gz ILRRNUIPJRJVHW-VHDGCEQUSA-N 2 0 304.425 2.635 20 0 DFADRP C[NH+](C)CC1CC[NH+](Cc2ccc(-c3ccccn3)nc2)CC1 ZINC000425404078 296578010 /nfs/dbraw/zinc/57/80/10/296578010.db2.gz JDJVEVXEGUDCHU-UHFFFAOYSA-N 2 0 310.445 2.917 20 0 DFADRP C[C@H]([NH2+]CCOCC[NH+](C)C)c1cccc(OC(F)F)c1 ZINC000231786778 146016690 /nfs/dbraw/zinc/01/66/90/146016690.db2.gz PBPBLJWSEPQUJE-LBPRGKRZSA-N 2 0 302.365 2.517 20 0 DFADRP c1ccc(C[NH+]2CCN(CC[NH2+]C[C@H]3CC=CCC3)CC2)cc1 ZINC000236705559 146024798 /nfs/dbraw/zinc/02/47/98/146024798.db2.gz PDFDNWCXKYKIPY-IBGZPJMESA-N 2 0 313.489 2.750 20 0 DFADRP CCCC[C@@H]([NH3+])C(=O)NC1CC[NH+](Cc2ccccc2C)CC1 ZINC000236730526 146024899 /nfs/dbraw/zinc/02/48/99/146024899.db2.gz VDRRTYMKUBSXND-GOSISDBHSA-N 2 0 317.477 2.593 20 0 DFADRP CCCC[C@@H]([NH3+])C(=O)NCC(C)(C)[NH2+][C@H](C)c1ccccc1 ZINC000236733289 146026252 /nfs/dbraw/zinc/02/62/52/146026252.db2.gz WUXZOTDWEKEAJX-GDBMZVCRSA-N 2 0 305.466 2.750 20 0 DFADRP CCCC[C@H]([NH3+])C(=O)NCC1CC[NH+](Cc2cccs2)CC1 ZINC000236791762 146027168 /nfs/dbraw/zinc/02/71/68/146027168.db2.gz FJIHXHYSUQXIMB-INIZCTEOSA-N 2 0 323.506 2.594 20 0 DFADRP CCCC[C@H]([NH3+])C(=O)NC[C@@H](c1ccc(C)cc1)[NH+]1CCCC1 ZINC000236810892 146028448 /nfs/dbraw/zinc/02/84/48/146028448.db2.gz DQLGMQDFAZSRRB-ROUUACIJSA-N 2 0 317.477 2.766 20 0 DFADRP C[C@H]1C[C@@H](N(C)C(=O)CC(C)(C)[NH3+])CC[N@@H+]1Cc1ccccc1 ZINC000237638662 146049013 /nfs/dbraw/zinc/04/90/13/146049013.db2.gz MSJCBFGLZRXRNE-RDJZCZTQSA-N 2 0 317.477 2.625 20 0 DFADRP C[C@H](C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1)[NH+]1[C@H](C)CC[C@H]1C ZINC000245203773 146063641 /nfs/dbraw/zinc/06/36/41/146063641.db2.gz WARZNWOGQJTGIJ-MGPQQGTHSA-N 2 0 309.498 2.673 20 0 DFADRP CC[N@@H+]1CC[C@@H](N(C)Cc2nnc(-c3ccccc3)o2)[C@@H](C)C1 ZINC000245422037 146069515 /nfs/dbraw/zinc/06/95/15/146069515.db2.gz IKNPVGIQDQMLQA-GOEBONIOSA-N 2 0 314.433 2.899 20 0 DFADRP CC[C@@H](C)C[NH2+]Cc1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000245539616 146080423 /nfs/dbraw/zinc/08/04/23/146080423.db2.gz OFVNVQRBECNRAG-CRAIPNDOSA-N 2 0 317.477 2.520 20 0 DFADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@@H]2COC3(CCCCCC3)O2)[C@@H](C)C1 ZINC000245559489 146084037 /nfs/dbraw/zinc/08/40/37/146084037.db2.gz IEWSMTKMAHNYPT-BBWFWOEESA-N 2 0 310.482 2.772 20 0 DFADRP C[C@H](c1ccc([S@](C)=O)cc1)N(C)CC[C@H]1CCC[N@@H+]1C ZINC000245724576 146098416 /nfs/dbraw/zinc/09/84/16/146098416.db2.gz VCGHUGUDXLZQGY-NVAPDCRFSA-N 2 0 308.491 2.901 20 0 DFADRP C[C@@H]1CCCC[N@@H+]1CCC1CC[NH+](CC[C@H]2CCOC2=O)CC1 ZINC000246116837 146121227 /nfs/dbraw/zinc/12/12/27/146121227.db2.gz YDTPKDKEJARDJA-AEFFLSMTSA-N 2 0 322.493 2.916 20 0 DFADRP CC(C)[N@@H+]1C[C@H](C)[C@H](NC(=O)Nc2cccc(C[NH+](C)C)c2)C1 ZINC000246296676 146136444 /nfs/dbraw/zinc/13/64/44/146136444.db2.gz VAUCDQIUWGMREL-WMLDXEAASA-N 2 0 318.465 2.598 20 0 DFADRP CC[N@@H+]1CC[C@@H]([NH2+]CC2CCN(c3cc[nH+]cc3)CC2)[C@@H](C)C1 ZINC000246298473 146136875 /nfs/dbraw/zinc/13/68/75/146136875.db2.gz CXQYCXXTEUXKST-QFBILLFUSA-N 3 0 316.493 2.618 20 0 DFADRP OCC1(C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)CCC1 ZINC000248872623 146172598 /nfs/dbraw/zinc/17/25/98/146172598.db2.gz IISFLDCSOAELBR-REPLKXPHSA-N 2 0 314.473 2.934 20 0 DFADRP CC[NH+]1CCN([C@H]2CC[N@H+](CC[C@H](C)c3ccccc3)C2)CC1 ZINC000249030975 146183285 /nfs/dbraw/zinc/18/32/85/146183285.db2.gz RAGVKBWUAYLAAI-ICSRJNTNSA-N 2 0 315.505 2.892 20 0 DFADRP C[C@H]1C[C@H](C)C[NH+](CCCC[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)C1 ZINC000249059350 146185662 /nfs/dbraw/zinc/18/56/62/146185662.db2.gz ZOIBFLBFJRAZJC-WJXKREEZSA-N 2 0 307.526 2.959 20 0 DFADRP CC[NH+]1CCN([C@H]2CC[N@H+](C[C@H](C)Cc3ccccc3)C2)CC1 ZINC000249392773 146196071 /nfs/dbraw/zinc/19/60/71/146196071.db2.gz AGTOYYZJPPJMLE-QUCCMNQESA-N 2 0 315.505 2.577 20 0 DFADRP C[C@@H](C(=O)N[C@H]1CCCC[C@H]1C)[NH+]1CCC(CC[NH+](C)C)CC1 ZINC000249688381 146203773 /nfs/dbraw/zinc/20/37/73/146203773.db2.gz MGBHSHPUPAIHAZ-RYRKJORJSA-N 2 0 323.525 2.734 20 0 DFADRP C[C@@H](C(=O)NCCC[N@@H+]1CCCC[C@H]1C)[NH+]1[C@@H](C)CC[C@@H]1C ZINC000249749644 146205923 /nfs/dbraw/zinc/20/59/23/146205923.db2.gz QBPHECZQDSFGSZ-QZWWFDLISA-N 2 0 309.498 2.628 20 0 DFADRP C[C@@H](C(=O)NCCCC[NH+]1CCC(C)CC1)[NH+]1[C@H](C)CC[C@H]1C ZINC000249924435 146209139 /nfs/dbraw/zinc/20/91/39/146209139.db2.gz ZOJGLONJNCPBTL-KURKYZTESA-N 2 0 323.525 2.876 20 0 DFADRP OCCC1(C[NH2+][C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)CC1 ZINC000250095563 146210529 /nfs/dbraw/zinc/21/05/29/146210529.db2.gz QSOUVRMGXCVXPX-IPMKNSEASA-N 2 0 314.473 2.649 20 0 DFADRP C[C@H]([NH2+][C@@H]1C[C@H]2OCCC[C@@H]12)c1ccc(OCC[NH+](C)C)cc1 ZINC000251516002 146213243 /nfs/dbraw/zinc/21/32/43/146213243.db2.gz CJMHACVAQXSVFY-WQANXHIZSA-N 2 0 318.461 2.845 20 0 DFADRP C[C@H]([NH2+][C@@H]1C[C@@H]2OCCC[C@@H]12)c1ccc(OCC[NH+](C)C)cc1 ZINC000251515997 146213787 /nfs/dbraw/zinc/21/37/87/146213787.db2.gz CJMHACVAQXSVFY-FZDIXFNVSA-N 2 0 318.461 2.845 20 0 DFADRP C[C@@H]1C[C@@H](C[N@H+](C)C2CCN(Cc3ccccc3)CC2)CC[NH2+]1 ZINC000261544199 146238409 /nfs/dbraw/zinc/23/84/09/146238409.db2.gz IOTVUSFFSAVSLR-MJGOQNOKSA-N 2 0 315.505 2.971 20 0 DFADRP CN(C[C@@H]1CCC[NH2+]C1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000261543428 146238606 /nfs/dbraw/zinc/23/86/06/146238606.db2.gz HTIAIRJCSCHKGU-GOSISDBHSA-N 2 0 301.478 2.582 20 0 DFADRP c1ccc(CN2CC[C@H]([NH2+][C@@H]3CCC[C@@H]3[C@@H]3CCC[NH2+]3)C2)cc1 ZINC000261546039 146239038 /nfs/dbraw/zinc/23/90/38/146239038.db2.gz KPSBTPMYNTZFPN-ZGXWSNOMSA-N 2 0 313.489 2.771 20 0 DFADRP c1ccc(CN2CC[C@H]([NH2+][C@@H]3CCC[C@H]3[C@@H]3CCC[NH2+]3)C2)cc1 ZINC000261546036 146239818 /nfs/dbraw/zinc/23/98/18/146239818.db2.gz KPSBTPMYNTZFPN-LWYYNNOASA-N 2 0 313.489 2.771 20 0 DFADRP COc1ccc2cc(CN3CC[C@@H](OC)C[C@H]3C[NH3+])ccc2c1 ZINC000261610636 146246874 /nfs/dbraw/zinc/24/68/74/146246874.db2.gz BBPANGOJQXIEAT-PKOBYXMFSA-N 2 0 314.429 2.787 20 0 DFADRP CC[C@H](C)c1ccc(NC(=O)CN2CC[C@](C)(C[NH3+])C2)cc1 ZINC000261632480 146250689 /nfs/dbraw/zinc/25/06/89/146250689.db2.gz FLYAAIGVLXFZNC-KBXCAEBGSA-N 2 0 303.450 2.809 20 0 DFADRP C[NH2+]CCC1CCN(CC(=O)Nc2c(C)cc(C)cc2C)CC1 ZINC000261633799 146250905 /nfs/dbraw/zinc/25/09/05/146250905.db2.gz CEWKDHXFEOEOJK-UHFFFAOYSA-N 2 0 317.477 2.872 20 0 DFADRP Cc1ccc(C(=O)NCC[NH2+][C@@H](C)C[C@H]2CCCCC[NH2+]2)cc1 ZINC000261682056 146259602 /nfs/dbraw/zinc/25/96/02/146259602.db2.gz IHSNLTVSPKALRK-FUHWJXTLSA-N 2 0 317.477 2.625 20 0 DFADRP C[N@H+](CCc1ccc(Br)cc1)C[C@@]1(C)CC[NH2+]C1 ZINC000261705746 146262236 /nfs/dbraw/zinc/26/22/36/146262236.db2.gz DBMWLDZGNFFPAT-HNNXBMFYSA-N 2 0 311.267 2.923 20 0 DFADRP c1cc(-c2nc(CN3CC[C@@H]4C[NH2+]C[C@@H]4C3)cs2)cs1 ZINC000261710601 146263731 /nfs/dbraw/zinc/26/37/31/146263731.db2.gz JMKUIKOCEXSTNR-DGCLKSJQSA-N 2 0 305.472 2.913 20 0 DFADRP c1cc(-c2nc(CN3CC[C@H]4C[NH2+]C[C@H]4C3)cs2)cs1 ZINC000261710598 146263851 /nfs/dbraw/zinc/26/38/51/146263851.db2.gz JMKUIKOCEXSTNR-AAEUAGOBSA-N 2 0 305.472 2.913 20 0 DFADRP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+]CCc1ccc2c(c1)OCCO2 ZINC000261742344 146269016 /nfs/dbraw/zinc/26/90/16/146269016.db2.gz OBGBAERQWDZTJN-NVXWUHKLSA-N 2 0 318.461 2.901 20 0 DFADRP CCC[N@H+](Cc1ccc(N(C)C(C)C)nc1)C1CC[NH2+]CC1 ZINC000261764339 146271574 /nfs/dbraw/zinc/27/15/74/146271574.db2.gz DEDCHQWRHBAOOH-UHFFFAOYSA-N 2 0 304.482 2.890 20 0 DFADRP Cc1ccc(C[N@@H+]2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)c(-c2cnn(C)c2)c1 ZINC000261817042 146281420 /nfs/dbraw/zinc/28/14/20/146281420.db2.gz IBDITNVLLNRCGJ-SNRMKQJTSA-N 2 0 310.445 2.565 20 0 DFADRP [NH3+]C[C@@H]1C[N@H+](Cc2ccc3c(c2)CCO3)C[C@H]1c1ccccc1 ZINC000261824229 146282613 /nfs/dbraw/zinc/28/26/13/146282613.db2.gz YCSHTBQPGNIRNV-MOPGFXCFSA-N 2 0 308.425 2.796 20 0 DFADRP Cn1cc(-c2ccc(C[N@@H+]3C[C@@H]4CCC[C@@H]([NH3+])[C@@H]4C3)s2)cn1 ZINC000261825352 146283561 /nfs/dbraw/zinc/28/35/61/146283561.db2.gz IRBOFPDDHKSCKN-APHBMKBZSA-N 2 0 316.474 2.708 20 0 DFADRP COc1ccc(OC)c(C[NH+]2CCC([C@@H]3CCC[NH2+]3)CC2)c1 ZINC000261837412 146285970 /nfs/dbraw/zinc/28/59/70/146285970.db2.gz CEQDUVHTQBWQMY-KRWDZBQOSA-N 2 0 304.434 2.668 20 0 DFADRP C[C@@]1(C[NH+]2CCC([C@@H](O)c3ccc(F)cc3)CC2)CC[NH2+]C1 ZINC000261871927 146291458 /nfs/dbraw/zinc/29/14/58/146291458.db2.gz PAAQYJXEZUCUBO-ZWKOTPCHSA-N 2 0 306.425 2.571 20 0 DFADRP CC[NH+](CC)CC1CCN(C(=O)[C@@H]([NH3+])c2ccc(C)cc2)CC1 ZINC000261872412 146293613 /nfs/dbraw/zinc/29/36/13/146293613.db2.gz LLJIZZNRXZKDFC-SFHVURJKSA-N 2 0 317.477 2.575 20 0 DFADRP C[N@H+](C[C@]1(C)CC[NH2+]C1)[C@@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000261881827 146295371 /nfs/dbraw/zinc/29/53/71/146295371.db2.gz RCOHASOUYKRSHB-FGTMMUONSA-N 2 0 306.425 2.977 20 0 DFADRP CC[C@@H]1CN(C[C@@]2(C)CC[NH2+]C2)CC[N@@H+]1Cc1ccccc1 ZINC000261892520 146296222 /nfs/dbraw/zinc/29/62/22/146296222.db2.gz UEJLUGIUWXMUPT-MOPGFXCFSA-N 2 0 301.478 2.582 20 0 DFADRP CCN(C[C@@]1(C)CC[NH2+]C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000261909158 146300010 /nfs/dbraw/zinc/30/00/10/146300010.db2.gz XTBROZYCHWGAMW-MOPGFXCFSA-N 2 0 301.478 2.582 20 0 DFADRP C[C@@]1(CN2CC[N@H+](Cc3ccccc3)C(C)(C)C2)CC[NH2+]C1 ZINC000261911250 146300128 /nfs/dbraw/zinc/30/01/28/146300128.db2.gz YHFHZLHHOKVALY-LJQANCHMSA-N 2 0 301.478 2.582 20 0 DFADRP COc1ccc(C[N@@H+]2CCC3(C2)CC[NH2+]CC3)c(Cl)c1OC ZINC000261923429 146302602 /nfs/dbraw/zinc/30/26/02/146302602.db2.gz BXQHORILFWROML-UHFFFAOYSA-N 2 0 324.852 2.933 20 0 DFADRP CC(C)c1ccc(NC(=O)C[NH+]2CCC([C@@H](C)[NH3+])CC2)cc1 ZINC000261927385 146304673 /nfs/dbraw/zinc/30/46/73/146304673.db2.gz IVILGGFOCUSVJN-CQSZACIVSA-N 2 0 303.450 2.808 20 0 DFADRP C[NH2+]CCC1CCN(Cc2ncc(C(F)(F)F)s2)CC1 ZINC000261936971 146305732 /nfs/dbraw/zinc/30/57/32/146305732.db2.gz MEHHNKSRGUSNPH-UHFFFAOYSA-N 2 0 307.385 2.983 20 0 DFADRP CCOc1ccc(C(C)=O)cc1CN1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000261952414 146309127 /nfs/dbraw/zinc/30/91/27/146309127.db2.gz WPCFHURKDIEXPB-RYQLBKOJSA-N 2 0 316.445 2.847 20 0 DFADRP c1csc(C[N@@H+](CC[C@@H]2CCOC2)[C@@H]2CC23CC[NH2+]CC3)n1 ZINC000261976562 146313825 /nfs/dbraw/zinc/31/38/25/146313825.db2.gz QWHCCWJNPUPOOI-HUUCEWRRSA-N 2 0 321.490 2.514 20 0 DFADRP CCc1ccc(NC(=O)C[NH+]2CCC(CC[NH2+]C)CC2)cc1 ZINC000261986862 146317496 /nfs/dbraw/zinc/31/74/96/146317496.db2.gz SFXQZFDQCPGJFJ-UHFFFAOYSA-N 2 0 303.450 2.509 20 0 DFADRP C[NH2+]CCC1CC[NH+]([C@@H](C)C(=O)Nc2ccccc2C)CC1 ZINC000262007639 146320518 /nfs/dbraw/zinc/32/05/18/146320518.db2.gz SATZNZFWZYKIFN-HNNXBMFYSA-N 2 0 303.450 2.644 20 0 DFADRP C[NH2+]CCC1CC[NH+]([C@H](C)C(=O)Nc2ccc(C)c(F)c2)CC1 ZINC000262003749 146320855 /nfs/dbraw/zinc/32/08/55/146320855.db2.gz QOIRXRIDMNMFCF-CQSZACIVSA-N 2 0 321.440 2.783 20 0 DFADRP C[C@@H]([NH3+])C1CC[NH+](Cc2ccc(-c3cnn(C)c3)s2)CC1 ZINC000262000902 146321172 /nfs/dbraw/zinc/32/11/72/146321172.db2.gz UBYXWRISAFTJDJ-GFCCVEGCSA-N 2 0 304.463 2.708 20 0 DFADRP C[NH2+]CCC1CC[NH+](CC(=O)NC2CCCCCCC2)CC1 ZINC000262009532 146322206 /nfs/dbraw/zinc/32/22/06/146322206.db2.gz SUWVFDSOJHGELW-UHFFFAOYSA-N 2 0 309.498 2.537 20 0 DFADRP COc1cc2c(c(C[N@@H+]3CCC4(C3)CC[NH2+]CC4)c1)O[C@H](C)C2 ZINC000262010732 146322356 /nfs/dbraw/zinc/32/23/56/146322356.db2.gz MFAPIACHISODNN-CQSZACIVSA-N 2 0 316.445 2.594 20 0 DFADRP C[C@@H]1CN(Cc2ccc(-n3cnc4ccccc43)cc2)C[C@@H]1[NH3+] ZINC000262037136 146325990 /nfs/dbraw/zinc/32/59/90/146325990.db2.gz OTCSPXVLZVIWEZ-PBHICJAKSA-N 2 0 306.413 2.805 20 0 DFADRP C[NH2+]C[C@H]1CCC[N@H+](Cc2ccc(C)cc2-c2ccnn2C)C1 ZINC000262039333 146326079 /nfs/dbraw/zinc/32/60/79/146326079.db2.gz YCMBFYHVTXUFRL-MRXNPFEDSA-N 2 0 312.461 2.827 20 0 DFADRP Cc1ccc(C[N@H+]2CCC[C@H]([C@@H](C)[NH3+])C2)c(-c2cnn(C)c2)c1 ZINC000262052673 146327623 /nfs/dbraw/zinc/32/76/23/146327623.db2.gz ZTXLJFSFASGOTE-CVEARBPZSA-N 2 0 312.461 2.955 20 0 DFADRP [NH3+]CC[C@@H]1CCC[N@H+](Cc2ccn(-c3ccc(F)cc3F)n2)C1 ZINC000262092430 146332224 /nfs/dbraw/zinc/33/22/24/146332224.db2.gz HIDJPXMTUDWYOH-ZDUSSCGKSA-N 2 0 320.387 2.711 20 0 DFADRP COc1ccc(C[N@H+](CC2CC2)C[C@@]2(C)CC[NH2+]C2)c(OC)c1 ZINC000262107554 146334278 /nfs/dbraw/zinc/33/42/78/146334278.db2.gz WBYRXUHNSSDYMX-IBGZPJMESA-N 2 0 318.461 2.915 20 0 DFADRP C[C@@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]Cc1ccc2c(c1)OCCO2 ZINC000262121550 146335790 /nfs/dbraw/zinc/33/57/90/146335790.db2.gz KTJZBXDXYHZRLV-HOCLYGCPSA-N 2 0 304.434 2.858 20 0 DFADRP c1ccc2c(c1)C[C@H](C[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1)O2 ZINC000262326100 146351383 /nfs/dbraw/zinc/35/13/83/146351383.db2.gz RQDNJUXMYZZKBZ-BRSBDYLESA-N 2 0 300.446 2.891 20 0 DFADRP CC[C@H]1CCCC[N@@H+]1CCNC(=O)C1C[C@H]2CCC[C@@H](C1)C2[NH3+] ZINC000262352479 146353743 /nfs/dbraw/zinc/35/37/43/146353743.db2.gz UPGBRXWQKPEXNW-MTCSXPRVSA-N 2 0 321.509 2.521 20 0 DFADRP COc1ccc(C[N@@H+]2CC[C@H](C)[C@@H](C[NH3+])C2)cc1OC(F)F ZINC000262420264 146357905 /nfs/dbraw/zinc/35/79/05/146357905.db2.gz DYVAVFSOMFMWJD-AAEUAGOBSA-N 2 0 314.376 2.713 20 0 DFADRP C[C@@H](CNC(=O)C1C[C@H]2CCC[C@@H](C1)C2[NH3+])[N@@H+]1CCCC[C@@H]1C ZINC000262437176 146360140 /nfs/dbraw/zinc/36/01/40/146360140.db2.gz ULSUREPAFGNAGS-GPNCCUPLSA-N 2 0 321.509 2.519 20 0 DFADRP CC(C)[NH+]1CCC(N(C)C(=O)[C@H]([NH3+])CC2CCCCC2)CC1 ZINC000262515322 146367093 /nfs/dbraw/zinc/36/70/93/146367093.db2.gz NJZCTPBSGBARIK-QGZVFWFLSA-N 2 0 309.498 2.615 20 0 DFADRP C[C@@H]([NH2+]C(C)(C)CNC(=O)C1([NH3+])CCCC1)c1ccccc1 ZINC000262638680 146379962 /nfs/dbraw/zinc/37/99/62/146379962.db2.gz JETQGNCTOSKYCY-CQSZACIVSA-N 2 0 303.450 2.504 20 0 DFADRP CCC[C@](C)([NH3+])C(=O)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000262698419 146383180 /nfs/dbraw/zinc/38/31/80/146383180.db2.gz FWHGPAMVHZLZLM-WMZOPIPTSA-N 2 0 309.498 2.619 20 0 DFADRP C[C@@H](NC(=O)[C@@H](C)[NH+]1CCC(C[NH+](C)C)CC1)c1ccccc1 ZINC000354406114 147025635 /nfs/dbraw/zinc/02/56/35/147025635.db2.gz KZZSVTLSOUNISX-HZPDHXFCSA-N 2 0 317.477 2.526 20 0 DFADRP CC[C@H]1C[C@@H](C[N@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3CCOC)CCO1 ZINC000354509583 147062242 /nfs/dbraw/zinc/06/22/42/147062242.db2.gz YCWAAGYZGDZUKX-FSGLHJGXSA-N 2 0 324.509 2.765 20 0 DFADRP CCCC[N@@H+]1CCCC[C@H]1CNC(=O)[C@H]1CCCC[NH+]1CC ZINC000354873979 147186794 /nfs/dbraw/zinc/18/67/94/147186794.db2.gz FTNKUACHBNMNBX-DLBZAZTESA-N 2 0 309.498 2.632 20 0 DFADRP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)[C@H](C)[NH+]1[C@H](C)CC[C@H]1C ZINC000354928574 147198267 /nfs/dbraw/zinc/19/82/67/147198267.db2.gz GLBXEKYLVWGJED-WCXIOVBPSA-N 2 0 309.498 2.628 20 0 DFADRP CC[NH+]1CCN(c2ccccc2C[N@@H+]2CC[C@](C)(F)C2)CC1 ZINC000355372046 147288829 /nfs/dbraw/zinc/28/88/29/147288829.db2.gz XRGPBVNRXYFHTC-SFHVURJKSA-N 2 0 305.441 2.762 20 0 DFADRP CSc1ccc(OCC[N@@H+]2CC[C@]3(C2)CCC[NH2+]C3)cc1 ZINC000569123742 543448490 /nfs/dbraw/zinc/44/84/90/543448490.db2.gz WMJKMQAFIZRCQS-QGZVFWFLSA-N 2 0 306.475 2.863 20 0 DFADRP COc1cccc(C[C@H](C)[NH2+]C2CC([NH+]3CCCCC3)C2)n1 ZINC000355594574 147377584 /nfs/dbraw/zinc/37/75/84/147377584.db2.gz AIFHEZDHPNLIOA-OOHWJJMZSA-N 2 0 303.450 2.628 20 0 DFADRP COc1cc2c(c(C[NH2+]CC3(C)CC[NH+](C)CC3)c1)O[C@H](C)C2 ZINC000355780414 147447469 /nfs/dbraw/zinc/44/74/69/147447469.db2.gz WCKSMDPLQPSVCX-CQSZACIVSA-N 2 0 318.461 2.840 20 0 DFADRP CCC(C)(C)[NH2+][C@H](C)C(=O)NC[C@H]1CCCC[N@@H+]1CC(C)C ZINC000357629166 148063729 /nfs/dbraw/zinc/06/37/29/148063729.db2.gz DLHCAKAKZWVCEQ-HZPDHXFCSA-N 2 0 311.514 2.780 20 0 DFADRP C[C@H](C(=O)NCCC[NH+]1CCCCCC1)[NH+]1CCCCCC1 ZINC000357836112 148143590 /nfs/dbraw/zinc/14/35/90/148143590.db2.gz UYXLHLJTOHBGSV-QGZVFWFLSA-N 2 0 309.498 2.633 20 0 DFADRP C[C@H]([NH2+]Cc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1)[C@@H]1C[C@H]1C1CC1 ZINC000623563634 543484917 /nfs/dbraw/zinc/48/49/17/543484917.db2.gz FFKFCFCJEDZTPX-WBCYEJBOSA-N 2 0 314.473 2.777 20 0 DFADRP CC[C@H]([NH2+]CC(C)(C)C[NH+]1CCCC1)C1(C(=O)OC)CCC1 ZINC000357851978 148149737 /nfs/dbraw/zinc/14/97/37/148149737.db2.gz OKPGHUZNCABFJB-HNNXBMFYSA-N 2 0 310.482 2.820 20 0 DFADRP C[NH+](C)CC1CC[NH+](Cc2cnc([C@@H]3CCCO3)s2)CC1 ZINC000350185556 286017474 /nfs/dbraw/zinc/01/74/74/286017474.db2.gz WFGFBVPOBJRRPX-HNNXBMFYSA-N 2 0 309.479 2.768 20 0 DFADRP COCCC1(C[NH2+]Cc2cc(C3CC[NH2+]CC3)no2)CCCC1 ZINC000425892865 296602990 /nfs/dbraw/zinc/60/29/90/296602990.db2.gz BVYWDXQCRYKWBC-UHFFFAOYSA-N 2 0 321.465 2.828 20 0 DFADRP c1c(C[NH2+]C[C@@H]2[C@@H]3c4ccccc4C[C@@H]32)onc1C1CC[NH2+]CC1 ZINC000425894107 296603025 /nfs/dbraw/zinc/60/30/25/296603025.db2.gz FYBPVLWEPFZTPA-WSTZPKSXSA-N 2 0 323.440 2.817 20 0 DFADRP Cc1nc(C)c(CC[NH2+]Cc2cc(C3CC[NH2+]CC3)no2)s1 ZINC000425898935 296603167 /nfs/dbraw/zinc/60/31/67/296603167.db2.gz JWIAPMTYNUTAPG-UHFFFAOYSA-N 2 0 320.462 2.547 20 0 DFADRP C[C@@H]1CN(C)C[C@@H]1[NH2+]Cc1cc(Cl)c2c(c1)OCCCO2 ZINC000358056665 148228569 /nfs/dbraw/zinc/22/85/69/148228569.db2.gz DVAOTBJGBSFTAX-RISCZKNCSA-N 2 0 310.825 2.541 20 0 DFADRP c1c(C[NH2+][C@@H]2C[C@H]2Cc2ccccc2)onc1C1CC[NH2+]CC1 ZINC000425904475 296603819 /nfs/dbraw/zinc/60/38/19/296603819.db2.gz YSJFJCOLYNMNBY-SJLPKXTDSA-N 2 0 311.429 2.862 20 0 DFADRP C[C@H]1CCCC[N@@H+]1CCC1CCN(C(=O)[C@H]2CCC[NH+]2C)CC1 ZINC000358193440 148280304 /nfs/dbraw/zinc/28/03/04/148280304.db2.gz YLYZLFMNWUXMJX-FUHWJXTLSA-N 2 0 321.509 2.584 20 0 DFADRP Cc1cc2cc([C@@H](C)NC[C@]3(O)CC[N@H+](C)C3)oc2cc1C ZINC000358257036 148308385 /nfs/dbraw/zinc/30/83/85/148308385.db2.gz SVNXPLHGUWWVPE-RDTXWAMCSA-N 2 0 302.418 2.767 20 0 DFADRP Cc1cnc(CC[NH2+]C2CC[NH+]([C@@H]3CCCC[C@@H]3C)CC2)nc1 ZINC000358360092 148341836 /nfs/dbraw/zinc/34/18/36/148341836.db2.gz VJDCFVKXKSOIMG-FUHWJXTLSA-N 2 0 316.493 2.960 20 0 DFADRP Cc1ccc(NC(=O)[C@H](C)[N@@H+]2CCC3(C2)CC[NH2+]CC3)cc1C ZINC000358521712 148382360 /nfs/dbraw/zinc/38/23/60/148382360.db2.gz YOQDHTMCHANGLI-INIZCTEOSA-N 2 0 315.461 2.706 20 0 DFADRP C[C@H](CN[C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21)[NH+](C)C ZINC000358560543 148386529 /nfs/dbraw/zinc/38/65/29/148386529.db2.gz FCVBSTKSTZQPRH-BTHPGYMESA-N 2 0 315.505 2.827 20 0 DFADRP CN(CC[N@H+](C)CCCc1ccsc1)C1CC[NH+](C)CC1 ZINC000361086917 149025698 /nfs/dbraw/zinc/02/56/98/149025698.db2.gz PVSSCDPJVBVJQX-UHFFFAOYSA-N 2 0 309.523 2.639 20 0 DFADRP CO[C@@H](Cc1ccccc1)C[N@@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC000660665917 543529924 /nfs/dbraw/zinc/52/99/24/543529924.db2.gz ZFEYWPDGCBEDDW-RBUKOAKNSA-N 2 0 302.462 2.662 20 0 DFADRP Cc1cccc([C@@H](C)[NH2+]CCC[N@@H+]2CCC[C@@H](C(N)=O)C2)c1C ZINC000361176947 149047695 /nfs/dbraw/zinc/04/76/95/149047695.db2.gz YPBQXSLXENUYJA-IAGOWNOFSA-N 2 0 317.477 2.541 20 0 DFADRP CC(C)C[C@@H]([NH2+][C@H](C)CN1CC[NH+](C)CC1)c1ccccc1 ZINC000361233528 149061369 /nfs/dbraw/zinc/06/13/69/149061369.db2.gz YNXQVCLMRBPYOW-IEBWSBKVSA-N 2 0 303.494 2.999 20 0 DFADRP Cc1csc(N2CCC([NH2+]C3CC[NH+](C(C)C)CC3)CC2)n1 ZINC000361343549 149090124 /nfs/dbraw/zinc/09/01/24/149090124.db2.gz FENRIICGOMWFNT-UHFFFAOYSA-N 2 0 322.522 2.883 20 0 DFADRP C[C@@H]1Cc2ccc(F)cc2[C@H]1[NH2+]CCCC[N@@H+]1CCC[C@H]1CO ZINC000361353827 149094444 /nfs/dbraw/zinc/09/44/44/149094444.db2.gz VDRPDAHJOFEBCZ-LJHODMEESA-N 2 0 320.452 2.886 20 0 DFADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]C[C@](C)(O)[C@@H](C)CC)[C@H](C)C1 ZINC000361398623 149105783 /nfs/dbraw/zinc/10/57/83/149105783.db2.gz ABJBKYGPCFBIJD-OWSLCNJRSA-N 2 0 314.514 2.510 20 0 DFADRP C[N@@H+]1CCC[C@@H]1CC[NH+]1CCC[C@@](CO)(Cc2ccccc2)C1 ZINC000361596587 149162189 /nfs/dbraw/zinc/16/21/89/149162189.db2.gz UCLPKOITFKYKCG-WOJBJXKFSA-N 2 0 316.489 2.788 20 0 DFADRP Cc1ncc(CNc2nccc(N(C)C)n2)n1-c1ccccc1 ZINC000361619816 149170662 /nfs/dbraw/zinc/17/06/62/149170662.db2.gz HRKRNNMPLWMQEE-UHFFFAOYSA-N 2 0 308.389 2.649 20 0 DFADRP C[C@@H]1CCCC[N@@H+]1Cc1ccc(NC(=O)[C@]2(F)CC[NH2+]C2)cc1 ZINC000361719443 149200195 /nfs/dbraw/zinc/20/01/95/149200195.db2.gz SYNLSYIDGTVYJV-KDOFPFPSSA-N 2 0 319.424 2.701 20 0 DFADRP C[N@@H+]1CCC[C@@H](CNC(=O)C2([NH3+])CCCC2)[C@H]1c1cccs1 ZINC000361717085 149201001 /nfs/dbraw/zinc/20/10/01/149201001.db2.gz APHFMKODIRFGNK-ZFWWWQNUSA-N 2 0 321.490 2.519 20 0 DFADRP CC[C@@H](C)[C@H]([NH3+])C(=O)NC1CC[NH+](CC2CCCCC2)CC1 ZINC000361725885 149202788 /nfs/dbraw/zinc/20/27/88/149202788.db2.gz GLNSDMYWKQIJGG-PBHICJAKSA-N 2 0 309.498 2.521 20 0 DFADRP CC[C@H](C[C@H](C)CO)[NH2+][C@H]1CN(Cc2ccccc2)C[C@H]1C ZINC000361813883 149226777 /nfs/dbraw/zinc/22/67/77/149226777.db2.gz PPPJVMVPKUZGHS-ISARSNTHSA-N 2 0 304.478 2.894 20 0 DFADRP Cc1sccc1C[NH+]1CCC(CC[NH+]2CCOCC2)CC1 ZINC000350872865 286097149 /nfs/dbraw/zinc/09/71/49/286097149.db2.gz WWRHVDHCMBSMSG-UHFFFAOYSA-N 2 0 308.491 2.991 20 0 DFADRP C[C@H](CNC(=O)c1ccccc1C[NH+](C)C)[N@@H+]1CCCC[C@@H]1C ZINC000362563541 149309191 /nfs/dbraw/zinc/30/91/91/149309191.db2.gz AAWGOWOADISEQY-JKSUJKDBSA-N 2 0 317.477 2.741 20 0 DFADRP C[C@@H](CCNC(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C)[NH+](C)C ZINC000667196212 543564038 /nfs/dbraw/zinc/56/40/38/543564038.db2.gz RKMHSZPBCORLNT-GUYCJALGSA-N 2 0 318.465 2.697 20 0 DFADRP CC(C)C[C@H](C[NH+](C)C)NC(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC000362627144 149327928 /nfs/dbraw/zinc/32/79/28/149327928.db2.gz MLNDQCQBRCVMDZ-SJORKVTESA-N 2 0 311.514 2.589 20 0 DFADRP Cc1ccccc1C[N@@H+](C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000362720214 149350495 /nfs/dbraw/zinc/35/04/95/149350495.db2.gz TZBJYGQLYOPBIN-LJQANCHMSA-N 2 0 301.478 2.595 20 0 DFADRP C[C@@H](CNC(=O)c1ccccc1C[NH+](C)C)[NH+]1CCC(C)CC1 ZINC000362732038 149353157 /nfs/dbraw/zinc/35/31/57/149353157.db2.gz CHFLWOVXURZKEO-INIZCTEOSA-N 2 0 317.477 2.598 20 0 DFADRP c1cn(-c2ccc(C[N@@H+]3C[C@@H]4C[NH+]5CCCC[C@H]5[C@@H]4C3)cc2)cn1 ZINC000362925520 149399614 /nfs/dbraw/zinc/39/96/14/149399614.db2.gz JVCDUAZNIZOUJG-RLLQIKCJSA-N 2 0 322.456 2.788 20 0 DFADRP Cn1nccc1-c1ccccc1C[N@H+](C)CC1CC[NH+](C)CC1 ZINC000351403169 286124935 /nfs/dbraw/zinc/12/49/35/286124935.db2.gz XWROPZKHGUVNEZ-UHFFFAOYSA-N 2 0 312.461 2.861 20 0 DFADRP [NH3+][C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3OCC(F)(F)F)C[C@H]12 ZINC000351475501 286129320 /nfs/dbraw/zinc/12/93/20/286129320.db2.gz IMTRRZKGHNROAB-FPMFFAJLSA-N 2 0 314.351 2.797 20 0 DFADRP [NH3+][C@@H]1CC[C@H]2C[N@H+](Cc3cc(-c4ccc(F)cc4)no3)C[C@H]12 ZINC000351495933 286135732 /nfs/dbraw/zinc/13/57/32/286135732.db2.gz QDWILTGATYCTRV-VBNZEHGJSA-N 2 0 301.365 2.650 20 0 DFADRP C[C@H]([NH2+]CCOCC[NH+](C)C)c1ccc(F)cc1OC(F)F ZINC000351501071 286137098 /nfs/dbraw/zinc/13/70/98/286137098.db2.gz IDQYVQRFGGRTIQ-NSHDSACASA-N 2 0 320.355 2.656 20 0 DFADRP C[C@H]([NH2+]CCOCC[NH+](C)C)c1ccccc1OC(F)(F)F ZINC000351502448 286137761 /nfs/dbraw/zinc/13/77/61/286137761.db2.gz LFBPYFYYPVCVCM-LBPRGKRZSA-N 2 0 320.355 2.814 20 0 DFADRP Cc1nccn1CCC[N@@H+]1CCC[C@H](C[NH+]2CCCCC2)C1 ZINC000371196482 150001310 /nfs/dbraw/zinc/00/13/10/150001310.db2.gz DVUXSRWPNXAPMS-GOSISDBHSA-N 2 0 304.482 2.780 20 0 DFADRP C[N@H+](C[C@@H]1CC12CC[NH+](CC[C@@H]1CCC[NH+]1C)CC2)C1CC1 ZINC000371322052 150023092 /nfs/dbraw/zinc/02/30/92/150023092.db2.gz VOKNMIMVMTUVSE-IRXDYDNUSA-N 2 0 305.510 2.667 20 0 DFADRP Cc1ccc(C[N@H+]2CC[C@H](N3CC[NH+](C(C)C)CC3)C2)s1 ZINC000371338143 150027525 /nfs/dbraw/zinc/02/75/25/150027525.db2.gz YWLDIYUBVYQEKH-INIZCTEOSA-N 2 0 307.507 2.657 20 0 DFADRP CC[N@@H+]1CC[C@H]([NH2+]C2CCC(c3nc(C)no3)CC2)[C@H](C)C1 ZINC000371446229 150047572 /nfs/dbraw/zinc/04/75/72/150047572.db2.gz CBFORYHLJWZCFL-KKOFPSKJSA-N 2 0 306.454 2.724 20 0 DFADRP CC(C)(C)NC(=[NH2+])NCC1CC[NH+](Cc2ccccc2F)CC1 ZINC000371878874 150107111 /nfs/dbraw/zinc/10/71/11/150107111.db2.gz XRYCFDTUJGVNFJ-UHFFFAOYSA-N 2 0 320.456 2.950 20 0 DFADRP C[N@@H+]1CCC[C@H]1CCN1CCC[NH+](Cc2ccccc2F)CC1 ZINC000372427586 150171807 /nfs/dbraw/zinc/17/18/07/150171807.db2.gz HDXUYSSJGHHLPL-SFHVURJKSA-N 2 0 319.468 2.818 20 0 DFADRP CCn1ccnc1CN1CCC(Oc2ccncc2C)CC1 ZINC000373237678 150252737 /nfs/dbraw/zinc/25/27/37/150252737.db2.gz UFBICMDMIDPVFG-UHFFFAOYSA-N 2 0 300.406 2.650 20 0 DFADRP C[NH+]1CCC2(CCC[N@H+](C[C@H](O)CCc3ccccc3)C2)CC1 ZINC000374075578 150303327 /nfs/dbraw/zinc/30/33/27/150303327.db2.gz VINSLPWSOZEDQW-LJQANCHMSA-N 2 0 316.489 2.788 20 0 DFADRP C[C@H]1C[C@@H](CN[C@@H]2CC[N@H+](C)[C@H](C)C2)C[NH+]1Cc1ccccc1 ZINC000374526374 150373344 /nfs/dbraw/zinc/37/33/44/150373344.db2.gz HLYQEZASWQDCAL-LCLWPZTBSA-N 3 0 315.505 2.969 20 0 DFADRP C[NH+](C)CC1CCC(NC(=O)C2(C[NH+](C)C)CCCCC2)CC1 ZINC000426985677 296645772 /nfs/dbraw/zinc/64/57/72/296645772.db2.gz GQVHXVPCLCWXGI-UHFFFAOYSA-N 2 0 323.525 2.735 20 0 DFADRP CCN(CCC[NH+]1CCCC1)C(=O)[C@H](C)[NH+]1CCCCCC1 ZINC000351793019 286219503 /nfs/dbraw/zinc/21/95/03/286219503.db2.gz ZTSCLSMYAKWNAT-KRWDZBQOSA-N 2 0 309.498 2.585 20 0 DFADRP CCN(CCC[NH+](CC)CC)C(=O)[C@H](C)[NH+]1[C@@H](C)CC[C@@H]1C ZINC000351803681 286222423 /nfs/dbraw/zinc/22/24/23/286222423.db2.gz GAOAWUILJCBCOA-ULQDDVLXSA-N 2 0 311.514 2.828 20 0 DFADRP C[C@H](F)CC[NH+]1CCC(CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000351886212 286237398 /nfs/dbraw/zinc/23/73/98/286237398.db2.gz CESJXVHHOGPYCI-HRCADAONSA-N 2 0 300.462 2.946 20 0 DFADRP C[NH+](C)CC1(CNC(=O)C2(C[NH+](C)C)CCCCC2)CCCC1 ZINC000427454876 296657609 /nfs/dbraw/zinc/65/76/09/296657609.db2.gz FKXDVXFNJLKSBY-UHFFFAOYSA-N 2 0 323.525 2.737 20 0 DFADRP COC(=O)C(C)(C)CC[NH2+][C@@H]1CCN(C)[C@@H]1c1ccccc1 ZINC000352100991 286291676 /nfs/dbraw/zinc/29/16/76/286291676.db2.gz JRTZMWLKMZUBAB-HZPDHXFCSA-N 2 0 304.434 2.611 20 0 DFADRP COC(=O)C(C)(C)CC[NH2+][C@H]1CCN(C)[C@H]1c1ccccc1 ZINC000352100990 286291688 /nfs/dbraw/zinc/29/16/88/286291688.db2.gz JRTZMWLKMZUBAB-HOTGVXAUSA-N 2 0 304.434 2.611 20 0 DFADRP CCC[C@H]([NH2+]C(C)C)C(=O)N1CC[NH+](CCC(C)(C)C)CC1 ZINC000352149491 286305061 /nfs/dbraw/zinc/30/50/61/286305061.db2.gz PQSBMVZEXBHGAP-INIZCTEOSA-N 2 0 311.514 2.734 20 0 DFADRP C[C@@H]1CCC[C@@](CNC(=O)CC[C@@H]2CCCC[N@@H+]2C)([NH+](C)C)C1 ZINC000352215474 286319959 /nfs/dbraw/zinc/31/99/59/286319959.db2.gz DUXYFLDPZVHVKI-ZIFCJYIRSA-N 2 0 323.525 2.878 20 0 DFADRP [NH3+]CC[C@@H]1CCCC[N@@H+]1CCCc1nc(-c2ccccc2)no1 ZINC000352504848 286391387 /nfs/dbraw/zinc/39/13/87/286391387.db2.gz VKFSIURTFDNXKD-INIZCTEOSA-N 2 0 314.433 2.873 20 0 DFADRP [NH3+]CCC[N@@H+](Cc1cccc2c1OCCO2)CC1CCCC1 ZINC000352519662 286396296 /nfs/dbraw/zinc/39/62/96/286396296.db2.gz QPMMTEYYSZEALG-UHFFFAOYSA-N 2 0 304.434 2.799 20 0 DFADRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@H](C)c1ccccc1N(C)C ZINC000093946829 286443141 /nfs/dbraw/zinc/44/31/41/286443141.db2.gz VRUMOYJUZJYGME-HZPDHXFCSA-N 2 0 307.482 2.760 20 0 DFADRP CSC1(C[NH2+]Cc2ccccc2NC(C)=O)CC[NH+](C)CC1 ZINC000353197341 286577187 /nfs/dbraw/zinc/57/71/87/286577187.db2.gz YLVZLAKBDASLPQ-UHFFFAOYSA-N 2 0 321.490 2.562 20 0 DFADRP C[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+][C@H](CO)CC(F)F)CC1 ZINC000429470201 296746191 /nfs/dbraw/zinc/74/61/91/296746191.db2.gz MMPKRFPEYMQAKC-SNPRPXQTSA-N 2 0 304.425 2.635 20 0 DFADRP CC[NH+](CC)[C@@H](CNC(=O)c1c[nH+]ccc1N(C)C)CC(C)C ZINC000353459889 286652219 /nfs/dbraw/zinc/65/22/19/286652219.db2.gz NBZBPEHKXCGLOO-OAHLLOKOSA-N 2 0 320.481 2.634 20 0 DFADRP CSC1(C[NH2+][C@@H]2[C@H]3CCO[C@@H]3C23CCCC3)CC[NH+](C)CC1 ZINC000353622212 286658510 /nfs/dbraw/zinc/65/85/10/286658510.db2.gz MCVAIXMDJMEXMM-OAGGEKHMSA-N 2 0 324.534 2.751 20 0 DFADRP [NH3+]C1(C(=O)N2CCC[C@H]([NH+]3CCCCCC3)C2)CCCCC1 ZINC000237887195 158079400 /nfs/dbraw/zinc/07/94/00/158079400.db2.gz PVHAAKOXNCTQMF-INIZCTEOSA-N 2 0 307.482 2.515 20 0 DFADRP C[C@@H]([NH2+][C@@H](C)c1ccc(OCC[NH+](C)C)cc1)[C@H]1CCCO1 ZINC000246823970 158100768 /nfs/dbraw/zinc/10/07/68/158100768.db2.gz BIAXOSAJVPJZME-HDMKZQKVSA-N 2 0 306.450 2.845 20 0 DFADRP CCCCOCC[NH2+][C@@H]1CCN(Cc2ccccn2)C[C@H]1C ZINC000246884897 158104764 /nfs/dbraw/zinc/10/47/64/158104764.db2.gz DGINDPQMTITSOP-SJLPKXTDSA-N 2 0 305.466 2.698 20 0 DFADRP CC[C@H](C)[N@H+](C)CCN[C@H]1CC[NH+](Cc2ccccn2)C[C@@H]1C ZINC000246948587 158106709 /nfs/dbraw/zinc/10/67/09/158106709.db2.gz IDFFYRANPPCONS-LNLFQRSKSA-N 2 0 318.509 2.612 20 0 DFADRP C[N@@H+]1CCC[C@H]2C[NH+](Cc3ccc(-n4ccnc4)cc3)CC[C@H]21 ZINC000247039150 158115461 /nfs/dbraw/zinc/11/54/61/158115461.db2.gz RBNYWZUHCKAIMQ-PKOBYXMFSA-N 2 0 310.445 2.788 20 0 DFADRP CC[N@@H+]1CC[C@@H]([NH2+]CCn2c(C)nc3ccccc32)[C@@H](C)C1 ZINC000247885147 158152126 /nfs/dbraw/zinc/15/21/26/158152126.db2.gz CTPNXEXPQCUOKE-GOEBONIOSA-N 2 0 300.450 2.665 20 0 DFADRP CC[N@@H+]1CC[C@@H](NCCC[NH+](C)Cc2ccccc2)[C@@H](C)C1 ZINC000248029092 158157318 /nfs/dbraw/zinc/15/73/18/158157318.db2.gz PYTUJFAAPAAOBP-PKOBYXMFSA-N 2 0 303.494 2.828 20 0 DFADRP CC(C)COCCC[NH2+][C@@H]1CCN(Cc2ccccn2)C[C@@H]1C ZINC000248041265 158158591 /nfs/dbraw/zinc/15/85/91/158158591.db2.gz SXVZSXRIBXHKPQ-PKOBYXMFSA-N 2 0 319.493 2.944 20 0 DFADRP C[N@@H+]1CCC[C@H]2C[NH+](Cc3ccc(-n4cccn4)cc3)CC[C@H]21 ZINC000248062008 158158845 /nfs/dbraw/zinc/15/88/45/158158845.db2.gz LWQYLQOBSVKJIO-PKOBYXMFSA-N 2 0 310.445 2.788 20 0 DFADRP CC[NH+]1CCN(c2ccccc2C[NH2+]CC2(C(F)F)CC2)CC1 ZINC000355173733 158290114 /nfs/dbraw/zinc/29/01/14/158290114.db2.gz YVMNTJVDPABZME-UHFFFAOYSA-N 2 0 323.431 2.963 20 0 DFADRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H](C)[C@H]2CCCOC2)[C@@H](C)C1 ZINC000356846024 158314023 /nfs/dbraw/zinc/31/40/23/158314023.db2.gz IZQACEMONWMCQD-MHORFTMASA-N 2 0 312.498 2.528 20 0 DFADRP CC1CC[NH+](CC(=O)NCC[N@H+]2CC=C(C(C)(C)C)CC2)CC1 ZINC000356982418 158339215 /nfs/dbraw/zinc/33/92/15/158339215.db2.gz WHCQPVUUIHOFBR-UHFFFAOYSA-N 2 0 321.509 2.513 20 0 DFADRP C[N@H+](CCC1CCN(c2cc[nH+]cc2)CC1)CC1(O)CCC1 ZINC000357039807 158354585 /nfs/dbraw/zinc/35/45/85/158354585.db2.gz OBAPFNFQHAHETN-UHFFFAOYSA-N 2 0 303.450 2.535 20 0 DFADRP COCCOc1ccc(C[NH+]2CCC([C@H]3CC[NH2+]C3)CC2)cc1 ZINC000357040767 158354649 /nfs/dbraw/zinc/35/46/49/158354649.db2.gz CFBZHOBAWQCHFU-SFHVURJKSA-N 2 0 318.461 2.533 20 0 DFADRP c1csc(-c2n[nH]cc2C[NH+]2CCC([C@@H]3CC[NH2+]C3)CC2)c1 ZINC000357045241 158355861 /nfs/dbraw/zinc/35/58/61/158355861.db2.gz HVHHMOGSNFUMTA-CQSZACIVSA-N 2 0 316.474 2.960 20 0 DFADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]CCCc2ccccn2)[C@@H](C)C1 ZINC000358291719 158369055 /nfs/dbraw/zinc/36/90/55/158369055.db2.gz GMKRUICAOXWIFO-HKUYNNGSSA-N 2 0 319.493 2.741 20 0 DFADRP C[C@@H]([NH2+][C@H]1CCO[C@H](C)C1)c1cccc(OCC[NH+](C)C)c1 ZINC000358297855 158370275 /nfs/dbraw/zinc/37/02/75/158370275.db2.gz KKWXCGJQRZBYGO-INMHGKMJSA-N 2 0 306.450 2.845 20 0 DFADRP CCC[NH+](CCC)CCCC(=O)N[C@@H](C)C1=CC[N@H+](C)CC1 ZINC000358383515 158373957 /nfs/dbraw/zinc/37/39/57/158373957.db2.gz JPLFFGGVGFMBON-INIZCTEOSA-N 2 0 309.498 2.655 20 0 DFADRP [NH3+][C@H]1CCCCCC[C@@H]1C(=O)N1CCC([NH+]2CCCCC2)CC1 ZINC000430768265 296807792 /nfs/dbraw/zinc/80/77/92/296807792.db2.gz YKOLDGDQPCBSQG-ROUUACIJSA-N 2 0 321.509 2.761 20 0 DFADRP C[NH+](C)[C@H](CNC(=O)[C@H]1CCCCCC[C@H]1[NH3+])c1cccs1 ZINC000430853218 296809583 /nfs/dbraw/zinc/80/95/83/296809583.db2.gz VNFQKMYQGWSVTA-RRFJBIMHSA-N 2 0 323.506 2.765 20 0 DFADRP CC[C@@H]([NH2+]CC1(O)CC[NH+](C)CC1)c1cc(C)ccc1OC ZINC000271553586 286904131 /nfs/dbraw/zinc/90/41/31/286904131.db2.gz MUYYRPUTGCWYRP-MRXNPFEDSA-N 2 0 306.450 2.501 20 0 DFADRP C[C@@H]([NH2+]CCCC[N@@H+]1CCC[C@@H]1CO)c1ccc(F)cc1F ZINC000268929652 287022347 /nfs/dbraw/zinc/02/23/47/287022347.db2.gz QIZKNDCRPYBYOJ-UKRRQHHQSA-N 2 0 312.404 2.852 20 0 DFADRP CC[C@@H]1CC[C@H](C)C[C@@H]1[NH2+][C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000366821292 287107912 /nfs/dbraw/zinc/10/79/12/287107912.db2.gz IBSPYXAPSAEVRR-ZMMAXQRCSA-N 2 0 307.526 2.959 20 0 DFADRP COc1ccc(C[N@@H+]2CC[C@@H](CNc3cccc(C)[nH+]3)C2)cn1 ZINC000131302261 196158779 /nfs/dbraw/zinc/15/87/79/196158779.db2.gz KEWGWNRKLASKNL-INIZCTEOSA-N 2 0 312.417 2.728 20 0 DFADRP CC[NH2+]Cc1cccc(NC(=O)[C@@H]2C[C@@H]3CCCC[C@@H]3[NH2+]2)c1 ZINC000131638778 196186148 /nfs/dbraw/zinc/18/61/48/196186148.db2.gz MDROVCFAHYDYLO-XIRDDKMYSA-N 2 0 301.434 2.655 20 0 DFADRP C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)[C@H]1C[C@@H]2CCCC[NH+]2C1 ZINC000363585682 287266329 /nfs/dbraw/zinc/26/63/29/287266329.db2.gz CQMXIHWODMWKFM-SQNIBIBYSA-N 2 0 321.509 2.632 20 0 DFADRP Cc1cccc([C@H](C)[NH2+]C[C@@H](C(C)C)N2CC[NH+](C)CC2)c1 ZINC000132375043 196249979 /nfs/dbraw/zinc/24/99/79/196249979.db2.gz MNOLVFYICJXVFZ-HKUYNNGSSA-N 2 0 303.494 2.918 20 0 DFADRP CC(C)[C@H](C[NH2+][C@H](C)CCc1ccccc1)N1CC[NH+](C)CC1 ZINC000132320373 196245180 /nfs/dbraw/zinc/24/51/80/196245180.db2.gz UOVQTUYIFFVAMQ-QUCCMNQESA-N 2 0 317.521 2.869 20 0 DFADRP CC(C)[C@@H](C[NH2+][C@@H](C)CCc1ccccc1)N1CC[NH+](C)CC1 ZINC000132319716 196245781 /nfs/dbraw/zinc/24/57/81/196245781.db2.gz UOVQTUYIFFVAMQ-AZUAARDMSA-N 2 0 317.521 2.869 20 0 DFADRP COc1cccc([C@H](C)[NH2+]C[C@H](C(C)C)N2CC[NH+](C)CC2)c1 ZINC000132330599 196245869 /nfs/dbraw/zinc/24/58/69/196245869.db2.gz OBIIVYYNRRLVKT-QFBILLFUSA-N 2 0 319.493 2.618 20 0 DFADRP C[C@@H]1CCCC[N@@H+]1CCC[NH2+][C@@H]1CCO[C@@H](C(F)(F)F)C1 ZINC000314587248 287268437 /nfs/dbraw/zinc/26/84/37/287268437.db2.gz DTAUIBKZRRIWLM-MGPQQGTHSA-N 2 0 308.388 2.950 20 0 DFADRP OC1CC[NH+](Cc2ccc(C[NH2+]C(C3CC3)C3CC3)cc2)CC1 ZINC000132639863 196272929 /nfs/dbraw/zinc/27/29/29/196272929.db2.gz UWUAOSDYYIETRZ-UHFFFAOYSA-N 2 0 314.473 2.922 20 0 DFADRP COc1ccc([C@@H](C)[NH2+]C2CCN(CC[NH+](C)C)CC2)c(F)c1 ZINC000150951539 196608126 /nfs/dbraw/zinc/60/81/26/196608126.db2.gz ZHPZOTRWKVJVMZ-CQSZACIVSA-N 2 0 323.456 2.511 20 0 DFADRP CC[C@@H]1[NH2+]CC[C@H]1C(=O)NC[C@@H](c1ccccc1)[NH+](CC)CC ZINC000289798010 287321526 /nfs/dbraw/zinc/32/15/26/287321526.db2.gz YYXGQAPDGFNPOZ-SQNIBIBYSA-N 2 0 317.477 2.574 20 0 DFADRP Cc1ncc(CN2CCC[C@H](C[N@H+]3CCCC[C@@H]3C)C2)n1C ZINC000667561412 543630707 /nfs/dbraw/zinc/63/07/07/543630707.db2.gz WEYUEMASYSIUKH-RDJZCZTQSA-N 2 0 304.482 2.815 20 0 DFADRP C[N@@H+](Cc1ccc(O[C@@H]2CCOC2)cc1)CC1CC[NH+](C)CC1 ZINC000667597408 543638715 /nfs/dbraw/zinc/63/87/15/543638715.db2.gz LWVBMHGRESBIGD-LJQANCHMSA-N 2 0 318.461 2.628 20 0 DFADRP c1ccc(CN2CCC[C@H]([NH2+][C@H]3CO[C@H](C4CC4)C3)C2)cc1 ZINC000667884182 543697467 /nfs/dbraw/zinc/69/74/67/543697467.db2.gz NNTZRVQALMPOTK-OTWHNJEPSA-N 2 0 300.446 2.808 20 0 DFADRP Cc1ncc(C[NH+]2CCC(CCC[NH+]3CCCC3)CC2)n1C ZINC000667680638 543658665 /nfs/dbraw/zinc/65/86/65/543658665.db2.gz MNTXCLATYHBHOY-UHFFFAOYSA-N 2 0 304.482 2.817 20 0 DFADRP CC(C)[N@H+](C)CC1CCN(C(=O)Nc2cccc(C[NH3+])c2)CC1 ZINC000667731012 543668340 /nfs/dbraw/zinc/66/83/40/543668340.db2.gz JDVPBHYDCKYQGI-UHFFFAOYSA-N 2 0 318.465 2.729 20 0 DFADRP C[NH+]1CCN(C[C@H]([NH2+][C@H]2CCCC23CC3)c2ccccc2)CC1 ZINC000667756257 543673150 /nfs/dbraw/zinc/67/31/50/543673150.db2.gz PQYGOBAAKFSAAC-OALUTQOASA-N 2 0 313.489 2.897 20 0 DFADRP C[NH+]1CCC2(CC1)C[N@H+](Cc1cc3ccncc3s1)CCO2 ZINC000668277872 543782793 /nfs/dbraw/zinc/78/27/93/543782793.db2.gz SGRLISQIPYEKLF-UHFFFAOYSA-N 2 0 317.458 2.593 20 0 DFADRP CO[C@@H](C[NH2+]C1CCN(c2cc[nH+]cc2)CC1)C1CCCC1 ZINC000668712179 543851770 /nfs/dbraw/zinc/85/17/70/543851770.db2.gz ZSQNSOPIBLKDMG-SFHVURJKSA-N 2 0 303.450 2.845 20 0 DFADRP CC[C@@H](C[NH+]1CCC([N@@H+]2CC[C@H](O)C2)CC1)c1ccccc1 ZINC000668738773 543857506 /nfs/dbraw/zinc/85/75/06/543857506.db2.gz GCCLBOSMFROFQW-LPHOPBHVSA-N 2 0 302.462 2.711 20 0 DFADRP Cc1ccccc1[C@@H]([NH3+])C(=O)NCCCC[N@H+]1CCC[C@H](C)C1 ZINC000296570246 226004209 /nfs/dbraw/zinc/00/42/09/226004209.db2.gz VZFHKZHNCOIIMP-MAUKXSAKSA-N 2 0 317.477 2.623 20 0 DFADRP CC[C@H](Cc1cccs1)[NH2+]CCN1CC[N@H+](C)C(C)(C)C1 ZINC000669618858 543976008 /nfs/dbraw/zinc/97/60/08/543976008.db2.gz MWQPZUBIIKWXQW-OAHLLOKOSA-N 2 0 309.523 2.685 20 0 DFADRP C[C@@H]1CN(CC[N@H+](C)Cc2ccccc2)CC[NH+](C2CC2)C1 ZINC000296691353 226128880 /nfs/dbraw/zinc/12/88/80/226128880.db2.gz JVQHJTSBYDDYKI-QGZVFWFLSA-N 2 0 301.478 2.535 20 0 DFADRP CC(C)(C(=O)NCc1ccc2c(c1)C[NH2+]C2)[C@H]([NH3+])c1ccccc1 ZINC000669514647 543958934 /nfs/dbraw/zinc/95/89/34/543958934.db2.gz WNNLMRKLPLEJQT-GOSISDBHSA-N 2 0 323.440 2.632 20 0 DFADRP COc1ccc([C@H](CN(C)C)[NH2+][C@@H](C)C2CC[NH+](C)CC2)cc1 ZINC000671304339 544066605 /nfs/dbraw/zinc/06/66/05/544066605.db2.gz IXKDJHOZGSEUHE-KXBFYZLASA-N 2 0 319.493 2.618 20 0 DFADRP C[C@@H]([NH2+]C[C@H]1CC[N@@H+](C2CC2)C1)c1ccc2[nH]c(=O)oc2c1 ZINC000671740775 544104439 /nfs/dbraw/zinc/10/44/39/544104439.db2.gz COVJLNGVBWMHNO-VXGBXAGGSA-N 2 0 301.390 2.668 20 0 DFADRP COCCCOc1ccc(C[NH2+][C@H](C)C2CC[NH+](C)CC2)cc1 ZINC000671764961 544108496 /nfs/dbraw/zinc/10/84/96/544108496.db2.gz SYICYTBGLRHZHQ-MRXNPFEDSA-N 2 0 320.477 2.922 20 0 DFADRP CC(C)[NH+]1CCC([NH2+]C[C@@H](CO)c2ccc(Cl)cc2)CC1 ZINC000672620446 544143725 /nfs/dbraw/zinc/14/37/25/544143725.db2.gz OZYGCGREAICUEI-HNNXBMFYSA-N 2 0 310.869 2.878 20 0 DFADRP OC[C@@H](C[NH2+]C1CC[NH+](CC2CC2)CC1)c1ccc(Cl)cc1 ZINC000672619280 544143819 /nfs/dbraw/zinc/14/38/19/544143819.db2.gz LHFMWLHVHBKZBB-MRXNPFEDSA-N 2 0 322.880 2.880 20 0 DFADRP C[NH+](C)[C@H]1CCCN([C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000297364875 227071255 /nfs/dbraw/zinc/07/12/55/227071255.db2.gz GBLCUMWIIFHJSO-OALUTQOASA-N 2 0 301.478 2.677 20 0 DFADRP COc1ccc(F)cc1C[N@@H+]1CC[C@@H](C2CC[NH+](C)CC2)C1 ZINC000291066801 222111024 /nfs/dbraw/zinc/11/10/24/222111024.db2.gz QLJMTRBDUNXICI-OAHLLOKOSA-N 2 0 306.425 2.998 20 0 DFADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@H]2CCN(c3ccccc3F)C2)[C@H](C)C1 ZINC000291210839 222226222 /nfs/dbraw/zinc/22/62/22/222226222.db2.gz MSMYZRXVYRYQQJ-NUJGCVRESA-N 2 0 319.468 2.972 20 0 DFADRP C[C@@H]1C[C@H]([NH2+]C[C@H]2CCN(c3ccccc3F)C2)CC[N@@H+]1C ZINC000291221034 222234840 /nfs/dbraw/zinc/23/48/40/222234840.db2.gz NJWJXNJCLUTSOL-BZUAXINKSA-N 2 0 305.441 2.724 20 0 DFADRP CCN(C(=O)[C@H](C)[NH+](C)C)[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000674286952 544229142 /nfs/dbraw/zinc/22/91/42/544229142.db2.gz JZYINQZVQYJOLG-SOLBZPMBSA-N 2 0 317.477 2.621 20 0 DFADRP CC[C@H]1C[N@@H+]2CCCC[C@H]2CN1C(=O)C1CC[NH+](C(C)C)CC1 ZINC000674365113 544236168 /nfs/dbraw/zinc/23/61/68/544236168.db2.gz HQAHSRMEFAALOT-ROUUACIJSA-N 2 0 321.509 2.582 20 0 DFADRP CC(C)[NH+]1CCC(O)(C[NH2+]Cc2nccc3ccccc32)CC1 ZINC000675485385 544315357 /nfs/dbraw/zinc/31/53/57/544315357.db2.gz MKDWQKQDKCIHQP-UHFFFAOYSA-N 2 0 313.445 2.560 20 0 DFADRP C[C@H](CCCC(F)(F)F)[NH2+][C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000681389767 545636155 /nfs/dbraw/zinc/63/61/55/545636155.db2.gz UGVKAHYCDZKOOZ-KGLIPLIRSA-N 2 0 321.431 2.866 20 0 DFADRP C[C@H](CCCC(F)(F)F)[NH2+][C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000681389771 545636332 /nfs/dbraw/zinc/63/63/32/545636332.db2.gz UGVKAHYCDZKOOZ-ZIAGYGMSSA-N 2 0 321.431 2.866 20 0 DFADRP C[C@@H]([NH2+][C@@H]1CCN(C2CC[NH+](C)CC2)C1)c1ccc(Cl)cn1 ZINC000681388795 545636349 /nfs/dbraw/zinc/63/63/49/545636349.db2.gz ANJMZOUBOCLNAX-UKRRQHHQSA-N 2 0 322.884 2.554 20 0 DFADRP C[C@H]([NH2+][C@H]1CCc2nc(C(C)(C)C)cn2C1)C1CC[NH+](C)CC1 ZINC000675797157 544337160 /nfs/dbraw/zinc/33/71/60/544337160.db2.gz JICPUBOAWLLANE-HOCLYGCPSA-N 2 0 318.509 2.815 20 0 DFADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]C[C@H](C)c2ccncc2)[C@H](C)C1 ZINC000675926273 544345165 /nfs/dbraw/zinc/34/51/65/544345165.db2.gz APAMHFOELKMEBE-SCTDSRPQSA-N 2 0 319.493 2.912 20 0 DFADRP C[N@@H+]1CCCN(CCC[NH2+]Cc2cscc2Cl)CC1 ZINC000676416236 544375734 /nfs/dbraw/zinc/37/57/34/544375734.db2.gz NMIXYXCUJDZOJB-UHFFFAOYSA-N 2 0 301.887 2.519 20 0 DFADRP Cc1nc([C@@H](C)[NH2+][C@H]2CCN(C3CC[NH+](C)CC3)C2)c(C)s1 ZINC000676488997 544379236 /nfs/dbraw/zinc/37/92/36/544379236.db2.gz GUSVFLPHEAMKQT-DOMZBBRYSA-N 2 0 322.522 2.579 20 0 DFADRP CCC[C@@H](C(=O)N1CCC(C[NH+]2CCCCCC2)CC1)[NH+](C)C ZINC000677862751 544553415 /nfs/dbraw/zinc/55/34/15/544553415.db2.gz AFPWJWACYSVNJJ-SFHVURJKSA-N 2 0 323.525 2.831 20 0 DFADRP C[C@H](CO)C[N@@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000678044673 544587060 /nfs/dbraw/zinc/58/70/60/544587060.db2.gz RPGTVDFFGUSCBK-HKUYNNGSSA-N 2 0 302.462 2.603 20 0 DFADRP CC(C)[N@H+](C)CC1CC[NH+](Cc2ccc(N(C)C)nc2)CC1 ZINC000678195311 544618780 /nfs/dbraw/zinc/61/87/80/544618780.db2.gz NUGPMQSOVGSOOJ-UHFFFAOYSA-N 2 0 304.482 2.700 20 0 DFADRP Cc1ccc([C@H](C)[NH2+]C[C@H](C(C)C)N2CC[NH+](C)CC2)c(C)n1 ZINC000678412048 544669081 /nfs/dbraw/zinc/66/90/81/544669081.db2.gz RTXOKYFXMMFIOG-QFBILLFUSA-N 2 0 318.509 2.621 20 0 DFADRP Cc1ccc([C@@H](C)[NH2+]C[C@H](C(C)C)N2CC[NH+](C)CC2)c(C)n1 ZINC000678412049 544669159 /nfs/dbraw/zinc/66/91/59/544669159.db2.gz RTXOKYFXMMFIOG-VQIMIIECSA-N 2 0 318.509 2.621 20 0 DFADRP OCCC[N@H+](Cc1ccc(OCC[NH+]2CCCC2)cc1)C1CC1 ZINC000678264278 544637746 /nfs/dbraw/zinc/63/77/46/544637746.db2.gz STBXSEZUUMLMTO-UHFFFAOYSA-N 2 0 318.461 2.508 20 0 DFADRP CC[N@@H+]1C[C@@H](C)N(Cc2ccc(OCC[NH+](C)C)cc2)C[C@@H]1C ZINC000678272213 544639863 /nfs/dbraw/zinc/63/98/63/544639863.db2.gz CODNHEQWKWHXOY-DLBZAZTESA-N 2 0 319.493 2.542 20 0 DFADRP CC[N@@H+]1CC[C@@H](N(C)Cc2nn(C)c3ccccc23)C[C@H]1C ZINC000678276583 544641452 /nfs/dbraw/zinc/64/14/52/544641452.db2.gz JSTGGTLUUXCGNQ-HUUCEWRRSA-N 2 0 300.450 2.878 20 0 DFADRP C[C@H]([NH2+]CCCc1ccc2c(c1)OCCO2)C1CC[NH+](C)CC1 ZINC000678599117 544699495 /nfs/dbraw/zinc/69/94/95/544699495.db2.gz WYGYPHFUOXWHQR-HNNXBMFYSA-N 2 0 318.461 2.710 20 0 DFADRP C[C@H]([NH2+][C@H]1CCN(C)[C@H]1c1ccccc1)C1CC[NH+](C)CC1 ZINC000678608469 544702110 /nfs/dbraw/zinc/70/21/10/544702110.db2.gz OWZRMZZSTKXVRZ-SNRMKQJTSA-N 2 0 301.478 2.752 20 0 DFADRP CC(C)[C@H](O)C1(C[NH2+]Cc2ccc(OCC[NH+](C)C)cc2)CC1 ZINC000678969007 544759268 /nfs/dbraw/zinc/75/92/68/544759268.db2.gz XKMKANMNSMCGAQ-SFHVURJKSA-N 2 0 320.477 2.514 20 0 DFADRP CCc1nc2ccccc2n1CC[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000679023741 544770319 /nfs/dbraw/zinc/77/03/19/544770319.db2.gz WLEIWOCENKTBFT-GJZGRUSLSA-N 2 0 300.450 2.671 20 0 DFADRP C[C@@H]1C[C@H](Nc2cccc(OCCC[NH+](C)C)c2)CC[N@@H+]1C ZINC000679147970 544792398 /nfs/dbraw/zinc/79/23/98/544792398.db2.gz MMZVPHDLNSDIGL-NVXWUHKLSA-N 2 0 305.466 2.912 20 0 DFADRP CC1(C)[C@H]([NH2+]Cc2ccc(C[NH+]3CCCCC3)cc2)C[C@@H]1O ZINC000679375395 544844212 /nfs/dbraw/zinc/84/42/12/544844212.db2.gz ZOOILHVOWDOXPF-MSOLQXFVSA-N 2 0 302.462 2.922 20 0 DFADRP C[C@@H]([NH2+][C@@H](C)C1CC[NH+](C)CC1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000679723028 544905921 /nfs/dbraw/zinc/90/59/21/544905921.db2.gz JLWALJCNRBBGTP-LZLYRXPVSA-N 2 0 307.526 2.959 20 0 DFADRP c1ccc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH2+]C4CSC4)[C@@H]3C2)cc1 ZINC000680334016 544992873 /nfs/dbraw/zinc/99/28/73/544992873.db2.gz KMFBAKVRZGQSCU-JQHSSLGASA-N 2 0 302.487 2.992 20 0 DFADRP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+][C@](C)(CO)c1ccccc1 ZINC000680121053 544961654 /nfs/dbraw/zinc/96/16/54/544961654.db2.gz PHDHDPQDNUNJTL-LJQANCHMSA-N 2 0 322.412 2.573 20 0 DFADRP C[C@@H](CC[NH+]1CCN(C)CC1)Nc1cc[nH+]c2cc(F)ccc12 ZINC000302294215 230209818 /nfs/dbraw/zinc/20/98/18/230209818.db2.gz XCGXBBYVUOUBSD-AWEZNQCLSA-N 2 0 316.424 2.812 20 0 DFADRP CC[NH+]1CCN([C@H](C)C[NH2+][C@@H](C)c2ccc3c(c2)CCC3)CC1 ZINC000155611565 425923097 /nfs/dbraw/zinc/92/30/97/425923097.db2.gz XQJCCHLAAYCSQO-SJORKVTESA-N 2 0 315.505 2.852 20 0 DFADRP CCOc1ccccc1[C@H](C)[NH2+]C[C@H](C)N1CC[NH+](CC)CC1 ZINC000155718124 425925444 /nfs/dbraw/zinc/92/54/44/425925444.db2.gz RYXOCTLRWPDWKD-IRXDYDNUSA-N 2 0 319.493 2.762 20 0 DFADRP CCOc1ccc([C@@H](C)[NH2+]C[C@@H](C)N2CC[NH+](CC)CC2)cc1 ZINC000155741380 425926253 /nfs/dbraw/zinc/92/62/53/425926253.db2.gz ZMKRUYSRXFEDES-IAGOWNOFSA-N 2 0 319.493 2.762 20 0 DFADRP Cc1ccc(NC(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)cc1 ZINC000046438958 425865130 /nfs/dbraw/zinc/86/51/30/425865130.db2.gz VKNDQEGLPJBTLU-UHFFFAOYSA-N 2 0 320.481 2.732 20 0 DFADRP Clc1ccccc1N1CC[NH+](CCC2CC[NH2+]CC2)CC1 ZINC000038076086 425850426 /nfs/dbraw/zinc/85/04/26/425850426.db2.gz TWGYFOHWOLDNMX-UHFFFAOYSA-N 2 0 307.869 2.852 20 0 DFADRP COC(=O)C1CCC([NH2+]CCCC[N@@H+]2CCC[C@@H](C)C2)CC1 ZINC000192439337 268037255 /nfs/dbraw/zinc/03/72/55/268037255.db2.gz FWAIJKHFZMGPAQ-KLAILNCOSA-N 2 0 310.482 2.820 20 0 DFADRP CC[C@H]([NH2+]CCCN1CC[NH+](C(C)C)CC1)c1nccs1 ZINC000192795716 268049234 /nfs/dbraw/zinc/04/92/34/268049234.db2.gz KBDWJXIPZUCREX-HNNXBMFYSA-N 2 0 310.511 2.600 20 0 DFADRP OC(C[NH+]1CCC[C@@H]1C1CCC1)C[N@@H+]1CCC[C@@H]1C1CCC1 ZINC000194474492 268105009 /nfs/dbraw/zinc/10/50/09/268105009.db2.gz IYQQASCIZYTHMT-RTBURBONSA-N 2 0 306.494 2.876 20 0 DFADRP C[C@@H](CCN1CC[NH+](C)CC1)[NH2+]CC[C@H](C)c1ccccc1 ZINC000194716631 268113527 /nfs/dbraw/zinc/11/35/27/268113527.db2.gz SYZRXZHSGYHSMS-ROUUACIJSA-N 2 0 303.494 2.796 20 0 DFADRP C[NH+](C)Cc1cccc(NC(=O)[C@@H]2CCCCCC[C@@H]2[NH3+])c1 ZINC000237060339 268153441 /nfs/dbraw/zinc/15/34/41/268153441.db2.gz FQIKOSSGGUSLQO-SJORKVTESA-N 2 0 303.450 2.984 20 0 DFADRP CCc1cccc(CC)c1NC(=O)[C@@H](C)[NH+]1CCC(C[NH3+])CC1 ZINC000260694615 268168745 /nfs/dbraw/zinc/16/87/45/268168745.db2.gz ZNYRWOVHFRYLHE-CQSZACIVSA-N 2 0 317.477 2.809 20 0 DFADRP C[NH+](C)CCOc1cc(C[NH2+]Cc2cccc3cc[nH]c32)ccn1 ZINC000270637693 268194682 /nfs/dbraw/zinc/19/46/82/268194682.db2.gz HHMFWRRVYNUSPM-UHFFFAOYSA-N 2 0 324.428 2.793 20 0 DFADRP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCN(c3ccccc3F)C2)CC[N@@H+]1C ZINC000291221039 268283235 /nfs/dbraw/zinc/28/32/35/268283235.db2.gz NJWJXNJCLUTSOL-OWCLPIDISA-N 2 0 305.441 2.724 20 0 DFADRP CC[C@@H](C)NC(=O)[C@H](C)[NH+]1CCC(C[NH+]2CCCCCC2)CC1 ZINC000048564634 425875879 /nfs/dbraw/zinc/87/58/79/425875879.db2.gz UEZLREPFCUINGO-SJORKVTESA-N 2 0 323.525 2.878 20 0 DFADRP c1ccc(N2CCC([NH2+]CCOCC3CCCC3)CC2)nc1 ZINC000313270268 268339728 /nfs/dbraw/zinc/33/97/28/268339728.db2.gz MKDJRGARFMHDTC-UHFFFAOYSA-N 2 0 303.450 2.847 20 0 DFADRP CCCOc1ccc(OCC[N@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)cc1 ZINC000324005884 268349980 /nfs/dbraw/zinc/34/99/80/268349980.db2.gz NACRYHKAAITFSA-CALCHBBNSA-N 2 0 318.461 2.786 20 0 DFADRP Cc1[nH+]ccc(N2CCC([C@H]3OCCC[C@@H]3[NH3+])CC2)c1Cl ZINC000333630043 268408451 /nfs/dbraw/zinc/40/84/51/268408451.db2.gz GLOJDJDEDQDGKI-XJKSGUPXSA-N 2 0 309.841 2.766 20 0 DFADRP C[C@H](c1ccc([S@](C)=O)cc1)N(C)CC[C@@H]1CCC[N@@H+]1C ZINC000124908589 425944736 /nfs/dbraw/zinc/94/47/36/425944736.db2.gz VCGHUGUDXLZQGY-IVZHQMGZSA-N 2 0 308.491 2.901 20 0 DFADRP CC[C@@H]1CCCCN1C(=O)[C@H](C)N1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000158755217 425947204 /nfs/dbraw/zinc/94/72/04/425947204.db2.gz ZWEVVUCCPNSOPE-BSDSXHPESA-N 2 0 321.509 2.582 20 0 DFADRP CC(C)CN(CC(C)C)C(=O)CN1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000159008275 425952918 /nfs/dbraw/zinc/95/29/18/425952918.db2.gz FNBUTONCXHUUIT-QZTJIDSGSA-N 2 0 323.525 2.543 20 0 DFADRP c1nc2ccccn2c1C[N@H+]1CC[C@@H](CNc2ccccn2)C1 ZINC000159236799 425956274 /nfs/dbraw/zinc/95/62/74/425956274.db2.gz DFRZQOJAYIEHCH-HNNXBMFYSA-N 2 0 307.401 2.663 20 0 DFADRP CC[NH+]1CCC(N(C)Cc2cc(OC)cc3c2O[C@@H](C)C3)CC1 ZINC000125199726 425959013 /nfs/dbraw/zinc/95/90/13/425959013.db2.gz WARGQZLYOUXOHB-AWEZNQCLSA-N 2 0 318.461 2.935 20 0 DFADRP C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@@H]1[NH2+]CCCOC1CCCC1 ZINC000125313909 425966027 /nfs/dbraw/zinc/96/60/27/425966027.db2.gz IOJJPDGKTPSECY-NEWSRXKRSA-N 2 0 324.509 2.815 20 0 DFADRP C[C@H]([NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccc2c(c1)OCCO2 ZINC000161619681 426031989 /nfs/dbraw/zinc/03/19/89/426031989.db2.gz YFLKVYJXVLNBTK-CWRNSKLLSA-N 2 0 302.418 2.735 20 0 DFADRP CC[C@@H](COC)[NH2+][C@@H](C)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000126754939 426035306 /nfs/dbraw/zinc/03/53/06/426035306.db2.gz LYYGCOWUERSDQZ-HOCLYGCPSA-N 2 0 323.456 2.653 20 0 DFADRP c1cc(C[NH+]2CCC(C[NH+]3CCCC3)CC2)cc2c1OCC2 ZINC000111218710 426039602 /nfs/dbraw/zinc/03/96/02/426039602.db2.gz UGUVVLGHURYKRJ-UHFFFAOYSA-N 2 0 300.446 2.929 20 0 DFADRP COC[C@@H]([NH2+]C[C@@H]1CCCN(Cc2cccs2)C1)C1CC1 ZINC000126910525 426042143 /nfs/dbraw/zinc/04/21/43/426042143.db2.gz QMXOIAJTZGCZAO-WMLDXEAASA-N 2 0 308.491 2.975 20 0 DFADRP CCC[C@@H](C(=O)NC[C@H](c1ccc(C)o1)[NH+]1CCCC1)[NH+](C)C ZINC000161910524 426045263 /nfs/dbraw/zinc/04/52/63/426045263.db2.gz FQLTWHXOQHYVPL-JKSUJKDBSA-N 2 0 321.465 2.571 20 0 DFADRP C[C@@H](C[NH2+][C@H]1CCSc2ccc(F)cc21)N1CC[NH+](C)CC1 ZINC000127311461 426060541 /nfs/dbraw/zinc/06/05/41/426060541.db2.gz CPBDYTHATWAHKG-BBRMVZONSA-N 2 0 323.481 2.588 20 0 DFADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)Nc1cccc(F)c1 ZINC000075958584 426090728 /nfs/dbraw/zinc/09/07/28/426090728.db2.gz KWTFRFLVSXPBEV-UHFFFAOYSA-N 2 0 324.444 2.563 20 0 DFADRP CC[NH+](CC)C[C@@H]1CC[N@H+](CCc2ccc3c(c2)CCO3)C1 ZINC000076002687 426093294 /nfs/dbraw/zinc/09/32/94/426093294.db2.gz KPZNQLHOPVTTGQ-KRWDZBQOSA-N 2 0 302.462 2.828 20 0 DFADRP CC[N@@H+]1CC[C@H](C[NH2+][C@@H](C)c2ccc(N3CCOC3=O)cc2)C1 ZINC000163228657 426093500 /nfs/dbraw/zinc/09/35/00/426093500.db2.gz CRHSPTZXUMDRRK-LSDHHAIUSA-N 2 0 317.433 2.636 20 0 DFADRP CC[N@@H+]1CC[C@@H](C[NH2+][C@@H](C)c2cnn(Cc3ccccc3)c2)C1 ZINC000163290041 426095312 /nfs/dbraw/zinc/09/53/12/426095312.db2.gz TWFUYTAZFZBISV-WMZOPIPTSA-N 2 0 312.461 2.924 20 0 DFADRP C[N@H+](Cc1ccccc1NC(=O)[C@H]1CC[NH2+]C1)C1CCCCC1 ZINC000163459607 426100651 /nfs/dbraw/zinc/10/06/51/426100651.db2.gz MLSOLUYQIJSDBL-HNNXBMFYSA-N 2 0 315.461 2.999 20 0 DFADRP CC(C)[C@H]([NH3+])C(=O)NC[C@@H](c1cccs1)[NH+]1CCC(C)CC1 ZINC000163576784 426104719 /nfs/dbraw/zinc/10/47/19/426104719.db2.gz IKHUXDNZKQKWOQ-HOCLYGCPSA-N 2 0 323.506 2.621 20 0 DFADRP CC[C@H]([NH2+]CCC[N@@H+]1CCC[C@H](C(N)=O)C1)C1CCCCC1 ZINC000128208631 426106913 /nfs/dbraw/zinc/10/69/13/426106913.db2.gz NNPJNPDBFDQSTG-IRXDYDNUSA-N 2 0 309.498 2.522 20 0 DFADRP CC(C)[C@H]([NH3+])C(=O)Nc1ccc(C[NH+]2CCC(C)CC2)cc1 ZINC000164558055 426114988 /nfs/dbraw/zinc/11/49/88/426114988.db2.gz PBTTVAIHPLLMGK-KRWDZBQOSA-N 2 0 303.450 2.840 20 0 DFADRP C[C@@H]1CCCC[N@@H+]1Cc1ccc(NC(=O)[C@@H]2CCC[NH2+]C2)cc1 ZINC000164563647 426115786 /nfs/dbraw/zinc/11/57/86/426115786.db2.gz SMPOSSKKDUSWPX-NVXWUHKLSA-N 2 0 315.461 2.999 20 0 DFADRP C[C@@H](C[NH2+]C1CCN(c2ccccc2)CC1)C[NH+]1CCCC1 ZINC000165308764 426122152 /nfs/dbraw/zinc/12/21/52/426122152.db2.gz IFDFSSQMXOTJLI-KRWDZBQOSA-N 2 0 301.478 2.977 20 0 DFADRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@@H](C)c1cccc(NC(C)=O)c1 ZINC000165926402 426124003 /nfs/dbraw/zinc/12/40/03/426124003.db2.gz JUYWWLCILRWDAA-KBXCAEBGSA-N 2 0 321.465 2.652 20 0 DFADRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@@H](C)c1ccc(OC)c(F)c1 ZINC000165968238 426124368 /nfs/dbraw/zinc/12/43/68/426124368.db2.gz KEVYACBVXFBXDU-DZGCQCFKSA-N 2 0 312.429 2.842 20 0 DFADRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@H](C)c1cc(F)ccc1F ZINC000165944891 426124418 /nfs/dbraw/zinc/12/44/18/426124418.db2.gz UFGYQDRLLTUIRG-TZMCWYRMSA-N 2 0 300.393 2.972 20 0 DFADRP CC(C)[N@@H+]1CCC[C@@H](CNC(=O)CC[C@H]([NH3+])c2ccccc2)C1 ZINC000166351234 426127431 /nfs/dbraw/zinc/12/74/31/426127431.db2.gz YMOMGZGNONWBMG-WMZOPIPTSA-N 2 0 317.477 2.703 20 0 DFADRP C[C@@H]1C[C@@H](N[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)CC[NH+]1C ZINC000166330821 426127797 /nfs/dbraw/zinc/12/77/97/426127797.db2.gz IYVWDGMMYJXDNR-KVPLUYHFSA-N 2 0 315.505 2.969 20 0 DFADRP Cc1ccc2c(c1)[C@@H]([NH2+]C[C@@H](C)CN1CC[NH+](C)CC1)CCC2 ZINC000166492453 426129145 /nfs/dbraw/zinc/12/91/45/426129145.db2.gz FUICLKAIMUCRDI-XLIONFOSSA-N 2 0 315.505 2.846 20 0 DFADRP CC(C)[NH2+]CCC(=O)NCC(C)(C)[NH2+][C@H](C)c1ccccc1 ZINC000167618943 426133137 /nfs/dbraw/zinc/13/31/37/426133137.db2.gz ILLICDSRTSQVMW-OAHLLOKOSA-N 2 0 305.466 2.620 20 0 DFADRP CN1CCN(C(=O)CC[C@H]([NH3+])c2ccccc2)c2ccccc2C1 ZINC000167653307 426133831 /nfs/dbraw/zinc/13/38/31/426133831.db2.gz RAKGONPTCWLMDM-SFHVURJKSA-N 2 0 323.440 2.945 20 0 DFADRP CCC[C@H]([NH3+])C(=O)Nc1ccc(OCC[NH+]2CCCC2)c(C)c1 ZINC000169090523 426136345 /nfs/dbraw/zinc/13/63/45/426136345.db2.gz PIZQGLDKLQSTNG-INIZCTEOSA-N 2 0 319.449 2.536 20 0 DFADRP CCCC[N@H+](C)CC1CC[NH+](Cc2cn3cccnc3n2)CC1 ZINC000114475754 426137296 /nfs/dbraw/zinc/13/72/96/426137296.db2.gz XUCVLJZBBTWWID-UHFFFAOYSA-N 2 0 315.465 2.673 20 0 DFADRP CC(C)[C@H](Cc1ccc(F)cc1)[NH2+]C[C@H](C)N1CC[NH+](C)CC1 ZINC000127575668 426073774 /nfs/dbraw/zinc/07/37/74/426073774.db2.gz FSPPFBQORGDNSK-LPHOPBHVSA-N 2 0 321.484 2.618 20 0 DFADRP Cc1cc(F)ccc1[C@H](O)C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000162801091 426077222 /nfs/dbraw/zinc/07/72/22/426077222.db2.gz WFJYNUNHNFBENB-ZTFGCOKTSA-N 2 0 306.425 2.584 20 0 DFADRP CC(C)Oc1ccc([C@@H](C)[NH2+]C[C@H](C)N2CC[NH+](C)CC2)cc1 ZINC000127668533 426078944 /nfs/dbraw/zinc/07/89/44/426078944.db2.gz YPWCNZZKJGALAG-DLBZAZTESA-N 2 0 319.493 2.760 20 0 DFADRP C[C@H](C[NH2+][C@@H]1CCCCc2ccccc21)N1CC[NH+](C)CC1 ZINC000127702534 426080950 /nfs/dbraw/zinc/08/09/50/426080950.db2.gz RLGCJFBCQMHQIJ-VQIMIIECSA-N 2 0 301.478 2.680 20 0 DFADRP CC[NH+]1CCN(CCC[NH2+][C@@H]2CC[C@H](c3ccccc3)C2)CC1 ZINC000130481798 426160192 /nfs/dbraw/zinc/16/01/92/426160192.db2.gz YAROHGIQCMSESF-VQTJNVASSA-N 2 0 315.505 2.940 20 0 DFADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+][C@@H]1CCCN(Cc2ccccc2)C1 ZINC000132796245 426171300 /nfs/dbraw/zinc/17/13/00/426171300.db2.gz FHNBUZSPLKENFS-LFGUQSLTSA-N 2 0 315.505 2.969 20 0 DFADRP C[C@H]1C[C@@H](NC[C@@H](c2ccccc2)[NH+]2CCCC2)CC[N@@H+]1C ZINC000134068841 426185115 /nfs/dbraw/zinc/18/51/15/426185115.db2.gz JRHBUOZBHDNCLJ-WDSOQIARSA-N 2 0 301.478 2.896 20 0 DFADRP CCCc1ccc(C[N@@H+]2CC[C@@H](N3CC[NH+](CC)CC3)C2)cc1 ZINC000171527290 426193183 /nfs/dbraw/zinc/19/31/83/426193183.db2.gz DMPNZBHMZIBXQV-HXUWFJFHSA-N 2 0 315.505 2.851 20 0 DFADRP FC(F)(F)COCCC[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000134915883 426198918 /nfs/dbraw/zinc/19/89/18/426198918.db2.gz BISDXHZKNJSAKO-ZFWWWQNUSA-N 2 0 320.399 2.904 20 0 DFADRP C[C@@H]1C[C@H](NC2CC[NH+](Cc3ccccc3)CC2)CC[N@@H+]1C ZINC000174514280 426259493 /nfs/dbraw/zinc/25/94/93/426259493.db2.gz MBBLXPVEYUQWOP-VQIMIIECSA-N 2 0 301.478 2.723 20 0 DFADRP CCOc1ccccc1[C@H](C)[NH2+]C1CCN(CC[NH+](C)C)CC1 ZINC000150993133 426271392 /nfs/dbraw/zinc/27/13/92/426271392.db2.gz KQJYFZBGBSBOKW-INIZCTEOSA-N 2 0 319.493 2.762 20 0 DFADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1[NH2+]Cc1ccccc1Cn1cccn1 ZINC000119251941 426272830 /nfs/dbraw/zinc/27/28/30/426272830.db2.gz HKHQSYMSJARPNQ-JTDSTZFVSA-N 2 0 312.461 2.750 20 0 DFADRP CCc1nc2c(s1)[C@H](NC[C@@H](O)C[NH+]1CCCCC1)CCC2 ZINC000151295917 426288390 /nfs/dbraw/zinc/28/83/90/426288390.db2.gz SUPOXYREJDXVCY-ZIAGYGMSSA-N 2 0 323.506 2.519 20 0 DFADRP CC(C)Oc1ccc([C@H](C)NC[C@@H](O)C[NH+]2CCCCC2)cc1 ZINC000151314362 426289028 /nfs/dbraw/zinc/28/90/28/426289028.db2.gz PNAKBVIHOBOTFQ-FUHWJXTLSA-N 2 0 320.477 2.971 20 0 DFADRP Cc1cc(NC(=O)NC[C@H](Cc2ccccc2)[NH+](C)C)ccn1 ZINC000119441075 426289161 /nfs/dbraw/zinc/28/91/61/426289161.db2.gz OQBOIHSFKMPLIX-KRWDZBQOSA-N 2 0 312.417 2.684 20 0 DFADRP Cc1ccc(C)c([C@H](C)[NH2+]C[C@H](C)CN2CC[NH+](C)CC2)c1 ZINC000120860741 426316069 /nfs/dbraw/zinc/31/60/69/426316069.db2.gz GOIUGQUZDIUOPM-WMZOPIPTSA-N 2 0 303.494 2.838 20 0 DFADRP CC[N@@H+]1CC[C@H]([NH2+]Cc2cccc(OCCCOC)c2)[C@H](C)C1 ZINC000090718684 426330658 /nfs/dbraw/zinc/33/06/58/426330658.db2.gz ZUWLJUTXGMWZHV-APWZRJJASA-N 2 0 320.477 2.922 20 0 DFADRP COc1ccc(OC)c(CCC[NH2+][C@H]2C[C@H](C)[N@H+](C)C[C@H]2C)c1 ZINC000090888416 426333833 /nfs/dbraw/zinc/33/38/33/426333833.db2.gz SLGMYTWHEOTQEK-VKJFTORMSA-N 2 0 320.477 2.955 20 0 DFADRP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@H](C)c2ccc(OC)cc2)CC1 ZINC000121348549 426336762 /nfs/dbraw/zinc/33/67/62/426336762.db2.gz PDJRBLMIYYQRPT-IAGOWNOFSA-N 2 0 319.493 2.619 20 0 DFADRP Cc1cnccc1NC(=O)N1CC[NH+](C2CCCCC2)CC1 ZINC000121372050 426337878 /nfs/dbraw/zinc/33/78/78/426337878.db2.gz BSEPWTJXVATVEK-UHFFFAOYSA-N 2 0 302.422 2.872 20 0 DFADRP C[C@H]1CCc2c(F)cccc2[C@H]1NC[C@H](O)C[NH+]1CCCCC1 ZINC000151253382 426286280 /nfs/dbraw/zinc/28/62/80/426286280.db2.gz BPPPVZQABJMZJL-DOXZYTNZSA-N 2 0 320.452 2.886 20 0 DFADRP Cc1cc2ncc([C@@H](C)[NH2+]C3CCN(C4CC4)CC3)c(C)n2n1 ZINC000122839452 426397030 /nfs/dbraw/zinc/39/70/30/426397030.db2.gz PYDKYDBPINTXCG-CYBMUJFWSA-N 2 0 313.449 2.624 20 0 DFADRP C[C@H]1C[C@@H]([NH2+]CC(C)(C)c2ccc3c(c2)OCCO3)CC[N@@H+]1C ZINC000122867926 426400737 /nfs/dbraw/zinc/40/07/37/426400737.db2.gz RMVNHBRUBZYWJN-HOCLYGCPSA-N 2 0 318.461 2.808 20 0 DFADRP CC[N@H+](C)[C@H](C(=O)N[C@@H](CC(C)C)C[NH+](C)C)c1ccccc1 ZINC000152564695 426347304 /nfs/dbraw/zinc/34/73/04/426347304.db2.gz VLUVVYSMZUSMLK-ROUUACIJSA-N 2 0 319.493 2.772 20 0 DFADRP CCCC[N@H+](CC)CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000176038061 426347368 /nfs/dbraw/zinc/34/73/68/426347368.db2.gz TXTAFBCYRLVQKH-KRWDZBQOSA-N 2 0 305.466 2.528 20 0 DFADRP CCCC[N@H+](CC)CC(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000176038075 426347440 /nfs/dbraw/zinc/34/74/40/426347440.db2.gz TXTAFBCYRLVQKH-QGZVFWFLSA-N 2 0 305.466 2.528 20 0 DFADRP C[C@@H]1CCCC[C@H]1[NH2+]CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000176042087 426347775 /nfs/dbraw/zinc/34/77/75/426347775.db2.gz UTYVVQKTHSEEFR-NXHRZFHOSA-N 2 0 317.477 2.574 20 0 DFADRP COCC[N@H+](C)CCCC1CC[NH+](Cc2cccnc2)CC1 ZINC000122100311 426358433 /nfs/dbraw/zinc/35/84/33/426358433.db2.gz ZUQJLXUDQRXKQY-UHFFFAOYSA-N 2 0 305.466 2.652 20 0 DFADRP CCn1cc([C@H](C)[NH2+]Cc2ccccc2OCC[NH+](C)C)cn1 ZINC000122355380 426370935 /nfs/dbraw/zinc/37/09/35/426370935.db2.gz TWGPLHNXJDLPPX-HNNXBMFYSA-N 2 0 316.449 2.694 20 0 DFADRP CC[C@@H]([NH2+]Cc1ccccc1OCC[NH+](C)C)[C@H]1CCOC1 ZINC000122376705 426372620 /nfs/dbraw/zinc/37/26/20/426372620.db2.gz KPVDHOQMYSZBGG-DLBZAZTESA-N 2 0 306.450 2.532 20 0 DFADRP COc1ccc(C(C)(C)C[NH2+][C@H]2CC[N@H+](C)C[C@@H]2C)cc1OC ZINC000153171835 426373835 /nfs/dbraw/zinc/37/38/35/426373835.db2.gz GDJOCBNUPABGLH-HOCLYGCPSA-N 2 0 320.477 2.911 20 0 DFADRP C[C@H](C[NH2+][C@@H](C)c1ccc2c(c1)CCC2)CN1CCOCC1 ZINC000153167937 426373935 /nfs/dbraw/zinc/37/39/35/426373935.db2.gz LGVMPLHDSODNHZ-CVEARBPZSA-N 2 0 302.462 2.794 20 0 DFADRP CC[N@H+](C)[C@@H](C(=O)NCC1([NH3+])CCCCCC1)c1ccccc1 ZINC000122472820 426377168 /nfs/dbraw/zinc/37/71/68/426377168.db2.gz JBTWSGIHGRFHEB-QGZVFWFLSA-N 2 0 317.477 2.847 20 0 DFADRP CC[C@@H](C[NH2+][C@H](C)c1cnn(C)c1)N1CCc2ccccc2C1 ZINC000123106712 426414171 /nfs/dbraw/zinc/41/41/71/426414171.db2.gz JLXALQDSEDDKBX-BEFAXECRSA-N 2 0 312.461 2.908 20 0 DFADRP CC[C@H](C[NH2+][C@@H](C)[C@@H]1CCOC1)N1CCc2ccccc2C1 ZINC000123099996 426414423 /nfs/dbraw/zinc/41/44/23/426414423.db2.gz GJSYLSJTKVZREI-KFKAGJAMSA-N 2 0 302.462 2.838 20 0 DFADRP Cc1ccc(CN2CCN(CC[NH+]3[C@@H](C)CC[C@@H]3C)CC2)cc1 ZINC000153976201 426416092 /nfs/dbraw/zinc/41/60/92/426416092.db2.gz WAMNDGWNVZAGGB-OALUTQOASA-N 2 0 315.505 2.985 20 0 DFADRP CCCCCNC(=O)[C@@H](C)[NH+]1CCC(CCC[NH+](C)C)CC1 ZINC000123203275 426420239 /nfs/dbraw/zinc/42/02/39/426420239.db2.gz PIRPLEUXKBJSCV-MRXNPFEDSA-N 2 0 311.514 2.735 20 0 DFADRP CCC[C@H](C)NC(=O)[C@@H](C)[NH+]1CCC(CCC[NH+](C)C)CC1 ZINC000123271640 426423367 /nfs/dbraw/zinc/42/33/67/426423367.db2.gz WHIGKGUGSGUZNB-JKSUJKDBSA-N 2 0 311.514 2.734 20 0 DFADRP CC[NH+]1CCN(CCC[NH2+][C@@H](C)c2ccc(OC)cc2F)CC1 ZINC000154230186 426431759 /nfs/dbraw/zinc/43/17/59/426431759.db2.gz KFWLETMBMYMGIN-HNNXBMFYSA-N 2 0 323.456 2.513 20 0 DFADRP C[C@@H]1C[C@H]1c1ccc(C[NH2+]CCN2CCC([NH+](C)C)CC2)o1 ZINC000176990071 426432470 /nfs/dbraw/zinc/43/24/70/426432470.db2.gz DHHAFMKHJYSXIM-RHSMWYFYSA-N 2 0 305.466 2.519 20 0 DFADRP CC[NH+]1CCN(CCC[NH2+][C@H]2CCc3ccc(C)cc32)CC1 ZINC000154301150 426434968 /nfs/dbraw/zinc/43/49/68/426434968.db2.gz KBRAIUFYMNEOEP-IBGZPJMESA-N 2 0 301.478 2.600 20 0 DFADRP CCc1ccc([C@H](C)[NH2+]CCCN2CC[NH+](CC)CC2)s1 ZINC000154325989 426435602 /nfs/dbraw/zinc/43/56/02/426435602.db2.gz YRRHXQHFTGCQMT-HNNXBMFYSA-N 2 0 309.523 2.989 20 0 DFADRP CC(C)[C@H](CCO)[NH2+][C@H](C)c1cccc(OCC[NH+](C)C)c1 ZINC000123584752 426441179 /nfs/dbraw/zinc/44/11/79/426441179.db2.gz VLNQQCVIKDRWGE-QAPCUYQASA-N 2 0 308.466 2.685 20 0 DFADRP CCN1CC[NH+](CCCC[NH2+][C@@H](C)c2ccc(F)cc2)CC1 ZINC000154527993 426443948 /nfs/dbraw/zinc/44/39/48/426443948.db2.gz RISJRWQETZROPO-INIZCTEOSA-N 2 0 307.457 2.894 20 0 DFADRP CCCC[C@@H]([NH3+])C(=O)N1CCC[C@@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000154549354 426444940 /nfs/dbraw/zinc/44/49/40/426444940.db2.gz KTPAUOODHBDRTG-YESZJQIVSA-N 2 0 309.498 2.617 20 0 DFADRP CCc1ccccc1NC(=O)C[C@H](C)[NH2+]C[C@H]1CCCN1C ZINC000154568599 426446133 /nfs/dbraw/zinc/44/61/33/426446133.db2.gz UKSUOKQRZHPNED-GOEBONIOSA-N 2 0 303.450 2.650 20 0 DFADRP CCc1ccccc1NC(=O)C[C@H](C)[NH2+]C[C@@H]1CCCN1C ZINC000154568444 426446369 /nfs/dbraw/zinc/44/63/69/426446369.db2.gz UKSUOKQRZHPNED-HOCLYGCPSA-N 2 0 303.450 2.650 20 0 DFADRP Cc1cnc(C[NH2+]C2CCC([NH+]3CCC(C)CC3)CC2)n1C ZINC000341289284 269061370 /nfs/dbraw/zinc/06/13/70/269061370.db2.gz PZEFYVHTEYVUTN-UHFFFAOYSA-N 2 0 304.482 2.861 20 0 DFADRP C[C@H](O)C[C@H](C)[NH2+][C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000341332202 269071341 /nfs/dbraw/zinc/07/13/41/269071341.db2.gz SOUXREDPZMDGRQ-PLOWYNNNSA-N 2 0 302.462 2.646 20 0 DFADRP COc1cccc([C@@H](C)[NH2+]CC2CC[NH+](CCN(C)C)CC2)c1 ZINC000177298429 426465564 /nfs/dbraw/zinc/46/55/64/426465564.db2.gz GLCWEOAQRHFFAR-MRXNPFEDSA-N 2 0 319.493 2.619 20 0 DFADRP C[C@H](CCc1ccc2c(c1)OCO2)[NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000124382102 426482314 /nfs/dbraw/zinc/48/23/14/426482314.db2.gz FLLUTKAHYQCTBE-ZBFHGGJFSA-N 2 0 316.445 2.810 20 0 DFADRP Cc1noc(C)c1CN1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000280344546 426554424 /nfs/dbraw/zinc/55/44/24/426554424.db2.gz HXFOWKYUTRXPKW-HDICACEKSA-N 2 0 311.429 2.855 20 0 DFADRP C[C@@H]([NH2+]Cc1cccnc1N1CC[NH+](C)CC1)c1ccsc1 ZINC000177808880 426524831 /nfs/dbraw/zinc/52/48/31/426524831.db2.gz OQFFXGXVQKDROO-CQSZACIVSA-N 2 0 316.474 2.746 20 0 DFADRP C/C=C/C[C@H](CO)[NH2+][C@H](C)c1cccc(OCC[NH+](C)C)c1 ZINC000186491807 426538357 /nfs/dbraw/zinc/53/83/57/426538357.db2.gz WGVLVCPONYWKJS-AMFYOEQGSA-N 2 0 306.450 2.605 20 0 DFADRP C[C@H]1C[C@H]([NH2+]CC2(C)CC[NH+](C)CC2)CN1Cc1ccccc1 ZINC000272525437 426549685 /nfs/dbraw/zinc/54/96/85/426549685.db2.gz JMBKLBPTLWFSNE-HKUYNNGSSA-N 2 0 315.505 2.971 20 0 DFADRP CCC1(CC)CC[NH+](CC(=O)NC2CC[NH+](C(C)C)CC2)CC1 ZINC000186556735 426550446 /nfs/dbraw/zinc/55/04/46/426550446.db2.gz GRGMYUAYKQSDNN-UHFFFAOYSA-N 2 0 323.525 2.878 20 0 DFADRP C[C@@H]1C[NH+](CCC2CC[NH+](CC3CCOCC3)CC2)C[C@@H](C)O1 ZINC000177484391 426489172 /nfs/dbraw/zinc/48/91/72/426489172.db2.gz RMTKSUACZDHMGQ-IAGOWNOFSA-N 2 0 324.509 2.624 20 0 DFADRP COCCCC[NH+]1CCC(CC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000177494157 426489687 /nfs/dbraw/zinc/48/96/87/426489687.db2.gz MNWKYKQYKVGXLG-IAGOWNOFSA-N 2 0 312.498 2.624 20 0 DFADRP Cc1ccc2ncc(C[NH2+]C[C@H](O)CCc3ccccc3)n2c1 ZINC000273048740 426582120 /nfs/dbraw/zinc/58/21/20/426582120.db2.gz BYOLZSJTNDIXMC-GOSISDBHSA-N 2 0 309.413 2.726 20 0 DFADRP C[C@H](NC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1)C(C)(C)C[NH+](C)C ZINC000178278494 426597442 /nfs/dbraw/zinc/59/74/42/426597442.db2.gz ZUKWTLKPHMMNBT-HOTGVXAUSA-N 2 0 323.525 2.734 20 0 DFADRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@H]1CCc2c1ccc(OC)c2F ZINC000289272082 426616696 /nfs/dbraw/zinc/61/66/96/426616696.db2.gz PIMYAAXIKFPEPL-CJNGLKHVSA-N 2 0 324.440 2.768 20 0 DFADRP CC[C@@H](Cc1ccccc1)[NH2+][C@@H](C)CCN1CC[NH+](C)CC1 ZINC000186589915 426559506 /nfs/dbraw/zinc/55/95/06/426559506.db2.gz HCMDMUWKUJSYJC-HKUYNNGSSA-N 2 0 303.494 2.623 20 0 DFADRP CN(C)Cc1ccc(NC(=O)CCc2cncn2C)cc1Cl ZINC000280389962 426563552 /nfs/dbraw/zinc/56/35/52/426563552.db2.gz ZNMJUESLCDLLKV-UHFFFAOYSA-N 2 0 320.824 2.706 20 0 DFADRP COc1ccc([C@@H](C)[NH2+][C@H](C)CCN2CC[NH+](C)CC2)c(F)c1 ZINC000186604451 426564117 /nfs/dbraw/zinc/56/41/17/426564117.db2.gz YRRNMYAYXSEYTM-HUUCEWRRSA-N 2 0 323.456 2.511 20 0 DFADRP CC[C@H](C(=O)Nc1ccc(CC[NH+](C)C)cc1)[NH+](CC)CC ZINC000265432822 426636138 /nfs/dbraw/zinc/63/61/38/426636138.db2.gz CPSWTOIYKXDAOC-QGZVFWFLSA-N 2 0 305.466 2.850 20 0 DFADRP CCC(C)(C)[NH2+][C@H](C)C(=O)NC[C@H](c1cccc(F)c1)[NH+](C)C ZINC000273314767 426641316 /nfs/dbraw/zinc/64/13/16/426641316.db2.gz XRQJLBHDCSNYPL-CZUORRHYSA-N 2 0 323.456 2.711 20 0 DFADRP CCC[N@H+](CC1CC[NH2+]CC1)C[C@H]1COc2ccccc2O1 ZINC000236972099 426686454 /nfs/dbraw/zinc/68/64/54/426686454.db2.gz LBZYIANKOFYJOD-INIZCTEOSA-N 2 0 304.434 2.538 20 0 DFADRP Cc1ccc(NC(=O)CN(C)[C@H]2CCC[NH2+]CC2)c(Cl)c1 ZINC000231670112 426651849 /nfs/dbraw/zinc/65/18/49/426651849.db2.gz SAOINSXOGNEOAT-ZDUSSCGKSA-N 2 0 309.841 2.661 20 0 DFADRP CCc1ccc([C@@H](CNC(=O)[C@@]2(C)CCCC[NH2+]2)[NH+](C)C)cc1 ZINC000236959732 426686849 /nfs/dbraw/zinc/68/68/49/426686849.db2.gz WYNFWSHFZKKBKM-IEBWSBKVSA-N 2 0 317.477 2.500 20 0 DFADRP COCCC[C@@H](C)[NH2+]C[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000178620339 426666281 /nfs/dbraw/zinc/66/62/81/426666281.db2.gz NCHZDSKSJVSJHL-MJGOQNOKSA-N 2 0 304.478 2.956 20 0 DFADRP CC1CC[NH+](Cc2ccc(NC(=O)[C@]3(C)CC[NH2+]C3)cc2)CC1 ZINC000236637494 426668903 /nfs/dbraw/zinc/66/89/03/426668903.db2.gz SMPQUQXKDQFQTR-LJQANCHMSA-N 2 0 315.461 2.857 20 0 DFADRP CCC(CC)(C[NH3+])C(=O)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000236643186 426669200 /nfs/dbraw/zinc/66/92/00/426669200.db2.gz VPBZSMRSMWQRRP-QGZVFWFLSA-N 2 0 323.525 2.866 20 0 DFADRP CC(C)[C@H](C[NH2+]C[C@@H](C)c1ccccc1)N1CC[NH+](C)CC1 ZINC000236673226 426672333 /nfs/dbraw/zinc/67/23/33/426672333.db2.gz ACCFAWCOCGEQCQ-MJGOQNOKSA-N 2 0 303.494 2.652 20 0 DFADRP CCC(CC)(C[NH3+])C(=O)NC[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000236674634 426673544 /nfs/dbraw/zinc/67/35/44/426673544.db2.gz AWFUZHHYCRCRBA-QGZVFWFLSA-N 2 0 317.477 2.705 20 0 DFADRP C[C@H]([NH2+]Cc1ccc(CN2CC[NH+](C)CC2)cc1)c1ccoc1 ZINC000178414987 426624357 /nfs/dbraw/zinc/62/43/57/426624357.db2.gz RJUSYZMCMVRPJG-INIZCTEOSA-N 2 0 313.445 2.878 20 0 DFADRP C[C@@H]([NH2+]CCC[NH+]1CCCC1)c1cccc(OCC[NH+](C)C)c1 ZINC000178412641 426625017 /nfs/dbraw/zinc/62/50/17/426625017.db2.gz INYGLHUVOJKVJN-QGZVFWFLSA-N 3 0 319.493 2.764 20 0 DFADRP Cc1ccc(NC(=O)CN2CCC[C@@H]([C@H](C)[NH3+])C2)cc1Cl ZINC000227189534 426626708 /nfs/dbraw/zinc/62/67/08/426626708.db2.gz YWBBULIJZSPCJO-QWHCGFSZSA-N 2 0 309.841 2.646 20 0 DFADRP Cn1c2ccccc2nc1CC[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000265793159 426690033 /nfs/dbraw/zinc/69/00/33/426690033.db2.gz MQILUPKADCPBIL-MRXNPFEDSA-N 2 0 312.461 2.534 20 0 DFADRP [NH3+]CC1(C(=O)NCC2([NH+]3CCCCC3)CCCCC2)CCCC1 ZINC000238049181 426706331 /nfs/dbraw/zinc/70/63/31/426706331.db2.gz GEINCAQFUBNIJW-UHFFFAOYSA-N 2 0 321.509 2.811 20 0 DFADRP CN(C)c1ccncc1C(=O)Nc1ccc(CC[NH+](C)C)cc1 ZINC000273585962 426692568 /nfs/dbraw/zinc/69/25/68/426692568.db2.gz IICJQALSHLPYED-UHFFFAOYSA-N 2 0 312.417 2.504 20 0 DFADRP c1cc2cc(C[N@H+]3CC[C@H](CN4CCOCC4)C3)ccc2o1 ZINC000290142453 426700775 /nfs/dbraw/zinc/70/07/75/426700775.db2.gz VVESJRBAGABADG-MRXNPFEDSA-N 2 0 300.402 2.587 20 0 DFADRP c1ccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@@H]([NH2+][C@H]2CCCOC2)C3)cc1 ZINC000245731104 426768673 /nfs/dbraw/zinc/76/86/73/426768673.db2.gz QEIXJLQUGJNOCV-OKYOBFRVSA-N 2 0 300.446 2.951 20 0 DFADRP CC[C@H](C(=O)NC[C@@H](c1cccs1)[NH+](C)C)[NH+](CC)CC ZINC000266728614 426769835 /nfs/dbraw/zinc/76/98/35/426769835.db2.gz NYBIGBFBQMYKIS-KGLIPLIRSA-N 2 0 311.495 2.587 20 0 DFADRP C[C@H]1C[C@@H]([NH2+]CCN2CC[N@H+](C)C(C)(C)C2)c2ccccc21 ZINC000290478848 426772343 /nfs/dbraw/zinc/77/23/43/426772343.db2.gz XHZOJTKNXGSNGP-MAUKXSAKSA-N 2 0 301.478 2.851 20 0 DFADRP CCn1nc(CN2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)c2ccccc21 ZINC000274504990 426782598 /nfs/dbraw/zinc/78/25/98/426782598.db2.gz SVJSLVVUAILAAY-CRAIPNDOSA-N 2 0 312.461 2.972 20 0 DFADRP C[C@H]1CCC[C@H]([NH+]2CCC([NH2+]CCOCC(F)F)CC2)C1 ZINC000188746326 426783614 /nfs/dbraw/zinc/78/36/14/426783614.db2.gz RVTFYMAWGSIZNF-ZFWWWQNUSA-N 2 0 304.425 2.901 20 0 DFADRP CCC[N@H+](C)C[C@H]1CCN(C[C@@H](O)c2c(F)cccc2F)C1 ZINC000266872399 426787934 /nfs/dbraw/zinc/78/79/34/426787934.db2.gz QTFRMEYNTLWIFD-CZUORRHYSA-N 2 0 312.404 2.662 20 0 DFADRP [NH3+]CC1(CC(=O)Nc2ccn(-c3cc[nH+]cc3)n2)CCCCC1 ZINC000274194679 426723283 /nfs/dbraw/zinc/72/32/83/426723283.db2.gz FXNPMRYJRJOGID-UHFFFAOYSA-N 2 0 313.405 2.505 20 0 DFADRP Cc1ccccc1C[NH+]1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000178959362 426726030 /nfs/dbraw/zinc/72/60/30/426726030.db2.gz HAGPKFKWKGNFEZ-YOFSQIOKSA-N 2 0 313.489 2.738 20 0 DFADRP Fc1ccc([C@H]2CN(CC3CC[NH2+]CC3)CCO2)cc1Cl ZINC000178971699 426727824 /nfs/dbraw/zinc/72/78/24/426727824.db2.gz NMKFNMRRJKXJQS-MRXNPFEDSA-N 2 0 312.816 2.852 20 0 DFADRP C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)c2c[nH+]ccc2N)CC1 ZINC000188184862 426729324 /nfs/dbraw/zinc/72/93/24/426729324.db2.gz AKLSEYHJWFCLBT-CQSZACIVSA-N 2 0 324.428 2.619 20 0 DFADRP C[C@@H]1CC[N@H+](CC2CC[NH2+]CC2)CCN1Cc1ccccc1 ZINC000178982292 426729606 /nfs/dbraw/zinc/72/96/06/426729606.db2.gz XBUJKQFXWPSDFF-QGZVFWFLSA-N 2 0 301.478 2.582 20 0 DFADRP CC[N@@H+]1CC[C@H](N(C)CC(=O)N(C2CC2)C2CCCC2)[C@@H](C)C1 ZINC000245413677 426738257 /nfs/dbraw/zinc/73/82/57/426738257.db2.gz BREKLYFXCSMIGE-YJBOKZPZSA-N 2 0 321.509 2.582 20 0 DFADRP Cc1nn(-c2ccccn2)c(C)c1C[N@H+](C)CCCn1ccnc1 ZINC000290310131 426739362 /nfs/dbraw/zinc/73/93/62/426739362.db2.gz CBOKUMXBKPTXIO-UHFFFAOYSA-N 2 0 324.432 2.603 20 0 DFADRP CCCC[N@H+](C)CC1CC[NH+](Cc2c[nH]c3nccnc23)CC1 ZINC000290375543 426751018 /nfs/dbraw/zinc/75/10/18/426751018.db2.gz IBNZJDJDYYVRKX-UHFFFAOYSA-N 2 0 315.465 2.902 20 0 DFADRP CC1CCC2(CC1)OC[C@H](C[NH2+][C@@H]1C[C@H](C)[N@H+](C)C[C@H]1C)O2 ZINC000245565497 426752664 /nfs/dbraw/zinc/75/26/64/426752664.db2.gz PPKNLAVFZBJNNY-JIDYKHNASA-N 2 0 310.482 2.627 20 0 DFADRP C[C@@H]([NH2+]CC1CC[NH+](CCN(C)C)CC1)c1ccc(Cl)nc1 ZINC000179121388 426754445 /nfs/dbraw/zinc/75/44/45/426754445.db2.gz XTTMKHKGKHFNIN-CQSZACIVSA-N 2 0 324.900 2.659 20 0 DFADRP Cn1nccc1C[NH2+][C@H]1c2ccccc2CC[C@H]1n1ccnc1 ZINC000290416195 426759534 /nfs/dbraw/zinc/75/95/34/426759534.db2.gz KIVSTDZDVOTCCF-MSOLQXFVSA-N 2 0 307.401 2.635 20 0 DFADRP CC1CC[NH+](C[C@H]2CCCN(CC[C@H]3CCC[N@@H+]3C)C2)CC1 ZINC000245705175 426765660 /nfs/dbraw/zinc/76/56/60/426765660.db2.gz YIBRKOWHOUOLHQ-RBUKOAKNSA-N 2 0 307.526 2.915 20 0 DFADRP C[C@@H](CC(=O)NC[C@@]1([NH+](C)C)CCC[C@@H](C)C1)C1CC[NH2+]CC1 ZINC000246158415 426805840 /nfs/dbraw/zinc/80/58/40/426805840.db2.gz AAWNLRYMWMXDGY-JTDSTZFVSA-N 2 0 323.525 2.639 20 0 DFADRP CCOC(=O)c1ccc(C[N@@H+]2CC[C@@H](C3CC[NH+](C)CC3)C2)o1 ZINC000290628882 426808326 /nfs/dbraw/zinc/80/83/26/426808326.db2.gz XUEALSNEKQMBTI-OAHLLOKOSA-N 2 0 320.433 2.620 20 0 DFADRP CCC(C)(C)[NH2+][C@H](C)C(=O)NCC[N@H+](C)Cc1ccc(F)cc1 ZINC000274682596 426816651 /nfs/dbraw/zinc/81/66/51/426816651.db2.gz JXHYBTWDPFPAEZ-CQSZACIVSA-N 2 0 323.456 2.540 20 0 DFADRP COCCN1CCC[C@@H]1C[NH2+]CC1(CCOC)CCCCC1 ZINC000189132451 426822484 /nfs/dbraw/zinc/82/24/84/426822484.db2.gz OECBKVVIPYWOMV-QGZVFWFLSA-N 2 0 312.498 2.674 20 0 DFADRP CC[N@@H+]1CC[C@@H]([NH2+]CCCc2cc(OC)ccc2OC)[C@@H](C)C1 ZINC000246358828 426822787 /nfs/dbraw/zinc/82/27/87/426822787.db2.gz IHGZHAGVMNETSQ-MAUKXSAKSA-N 2 0 320.477 2.956 20 0 DFADRP COc1ccc([C@H]([NH2+]C[C@@H](O)C[NH+]2CCCCC2)C(C)C)cc1 ZINC000180044391 426832503 /nfs/dbraw/zinc/83/25/03/426832503.db2.gz JCKFIBRGHWAWEP-IEBWSBKVSA-N 2 0 320.477 2.829 20 0 DFADRP CC[NH+]1CCN([C@H](C)C[NH2+]Cc2ccc(Cl)cc2F)CC1 ZINC000189253038 426833415 /nfs/dbraw/zinc/83/34/15/426833415.db2.gz NHFNLTYRWRNGQG-CYBMUJFWSA-N 2 0 313.848 2.595 20 0 DFADRP C[C@H](CC[NH2+][C@@H]1C[C@H](C)[N@H+](C)C[C@@H]1C)NC(=O)OC(C)(C)C ZINC000246454672 426834255 /nfs/dbraw/zinc/83/42/55/426834255.db2.gz PKNLMTQTHUPQPB-LJISPDSOSA-N 2 0 313.486 2.608 20 0 DFADRP CC[C@@H]([NH2+]C[C@@H](C)N1CC[NH+](CC)CC1)c1ccccc1F ZINC000180119558 426837833 /nfs/dbraw/zinc/83/78/33/426837833.db2.gz IJSNIESCQVMPMZ-CRAIPNDOSA-N 2 0 307.457 2.892 20 0 DFADRP Cc1ccc(C2CC([NH2+][C@@H]3CCCN(CCCO)C3)C2)cc1 ZINC000295153684 426841575 /nfs/dbraw/zinc/84/15/75/426841575.db2.gz RKNNNAMRFBPPCI-JLAWEPINSA-N 2 0 302.462 2.677 20 0 DFADRP CC(C)(C)OC(=O)CC[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000246545853 426843384 /nfs/dbraw/zinc/84/33/84/426843384.db2.gz KCYDMNDMBOWMHP-HOCLYGCPSA-N 2 0 308.466 2.667 20 0 DFADRP CCC[NH2+][C@H](C)C(=O)NCC(C)(C)[NH2+][C@@H](C)c1ccccc1 ZINC000295162959 426846402 /nfs/dbraw/zinc/84/64/02/426846402.db2.gz KRZQSVOAOQQLJW-LSDHHAIUSA-N 2 0 305.466 2.620 20 0 DFADRP C[N@@H+]1CCN(CC[NH2+][C@@H]2CCc3cc(Cl)ccc32)CC1(C)C ZINC000282203598 426851151 /nfs/dbraw/zinc/85/11/51/426851151.db2.gz GYFPKRUVTUXGKA-QGZVFWFLSA-N 2 0 321.896 2.943 20 0 DFADRP C[C@@H](NCC(C)(C)[NH+](C)C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000274888843 426856322 /nfs/dbraw/zinc/85/63/22/426856322.db2.gz JAMFBFSMAYBCDZ-AEFFLSMTSA-N 2 0 303.494 2.827 20 0 DFADRP C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2CCCc2ccc3c(c2)CCO3)C1 ZINC000290563558 426793826 /nfs/dbraw/zinc/79/38/26/426793826.db2.gz SLZXGORMCGBFLE-RTBURBONSA-N 2 0 314.473 2.970 20 0 DFADRP COc1ccc([C@H](C)[NH2+][C@@H](C)CCN2CC[NH+](C)CC2)cc1C ZINC000274579941 426795916 /nfs/dbraw/zinc/79/59/16/426795916.db2.gz CJJFDFQPLVTMNH-IRXDYDNUSA-N 2 0 319.493 2.680 20 0 DFADRP COc1ccccc1OC[C@H](C)C[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000179512789 426796997 /nfs/dbraw/zinc/79/69/97/426796997.db2.gz IHCPVTUGHGWYPW-OAGGEKHMSA-N 2 0 306.450 2.782 20 0 DFADRP CC[N@@H+]1CCC[C@@H](CNC(=O)Nc2cccc(C[NH+](C)C)c2)C1 ZINC000337682903 426919853 /nfs/dbraw/zinc/91/98/53/426919853.db2.gz OBPOORWVAZSAPP-INIZCTEOSA-N 2 0 318.465 2.602 20 0 DFADRP O[C@@H](C[NH2+]CCCCCOc1ccccc1)C[NH+]1CCCCC1 ZINC000275797368 426922722 /nfs/dbraw/zinc/92/27/22/426922722.db2.gz OINVRHPOFQGOAN-SFHVURJKSA-N 2 0 320.477 2.672 20 0 DFADRP C[N@@H+]1CCN(CC[NH2+]Cc2cc(F)cc(Cl)c2)CC1(C)C ZINC000282260819 426864974 /nfs/dbraw/zinc/86/49/74/426864974.db2.gz HBFVYXMPBIFHME-UHFFFAOYSA-N 2 0 313.848 2.595 20 0 DFADRP CCCn1c(C[NH2+]C[C@H]2CCc3nccn3C2)nc2ccccc21 ZINC000275543842 426867770 /nfs/dbraw/zinc/86/77/70/426867770.db2.gz MUXWCUHRUXSBHT-OAHLLOKOSA-N 2 0 323.444 2.995 20 0 DFADRP CC[NH+](CC)[C@@H]1CCN(C(=O)[C@H](c2ccccc2)[N@@H+](C)CC)C1 ZINC000246797790 426867875 /nfs/dbraw/zinc/86/78/75/426867875.db2.gz ADQRUICJLJALLW-MSOLQXFVSA-N 2 0 317.477 2.622 20 0 DFADRP C[C@@H]1C[N@@H+](CCC2CC[NH+](CC[C@@H]3CCCO3)CC2)C[C@H](C)O1 ZINC000189519048 426879468 /nfs/dbraw/zinc/87/94/68/426879468.db2.gz JTFUIEIKABOBRH-SCTDSRPQSA-N 2 0 324.509 2.767 20 0 DFADRP C[C@@H]1CN(CC[N@H+](C)Cc2ccccc2)CC[NH+](C2CCC2)C1 ZINC000295259779 426881136 /nfs/dbraw/zinc/88/11/36/426881136.db2.gz XXRIULPZPLSGEU-GOSISDBHSA-N 2 0 315.505 2.925 20 0 DFADRP CC[NH2+]Cc1cccc(NC(=O)[C@@H]2C[C@@H]3CCCC[C@H]3[NH2+]2)c1 ZINC000246948427 426882126 /nfs/dbraw/zinc/88/21/26/426882126.db2.gz MDROVCFAHYDYLO-UAGQMJEPSA-N 2 0 301.434 2.655 20 0 DFADRP O[C@H](C[NH2+]C1CC[NH+](C2CCCCC2)CC1)Cc1ccccc1 ZINC000305136533 426884807 /nfs/dbraw/zinc/88/48/07/426884807.db2.gz OSJIDQYHYUPBLG-FQEVSTJZSA-N 2 0 316.489 2.977 20 0 DFADRP C[C@@H](C[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1)N1CCc2sccc2C1 ZINC000247000228 426887715 /nfs/dbraw/zinc/88/77/15/426887715.db2.gz LNBXDCRPFTYRJH-IJEWVQPXSA-N 2 0 307.507 2.567 20 0 DFADRP CCC[N@H+](CC)CCNC(=O)Nc1ccccc1CC[NH+](C)C ZINC000275669037 426891957 /nfs/dbraw/zinc/89/19/57/426891957.db2.gz OWUSDHMSZZINGS-UHFFFAOYSA-N 2 0 320.481 2.644 20 0 DFADRP C/C(=C\c1ccccc1)C[NH2+]CCN1CC[N@@H+](C)C(C)(C)C1 ZINC000282381787 426899225 /nfs/dbraw/zinc/89/92/25/426899225.db2.gz OKYJQNIKFKGKGR-SAPNQHFASA-N 2 0 301.478 2.706 20 0 DFADRP CC[N@@H+]1CC[C@@H]([NH2+]CCCN(C)c2ccccc2F)[C@@H](C)C1 ZINC000247121031 426903532 /nfs/dbraw/zinc/90/35/32/426903532.db2.gz RDRDMIHIZAHOAB-DOTOQJQBSA-N 2 0 307.457 2.972 20 0 DFADRP COc1ccc(C[C@@H](C)C[N@H+](C)C[C@H]2CC[NH+](C)C2)cc1F ZINC000275733559 426908997 /nfs/dbraw/zinc/90/89/97/426908997.db2.gz PDEXSHFAEQLBCQ-ZBFHGGJFSA-N 2 0 308.441 2.896 20 0 DFADRP Cc1ccc([C@@H](C)[NH2+]CCN2CC[N@H+](C)C(C)(C)C2)c(C)c1 ZINC000282424044 426910014 /nfs/dbraw/zinc/91/00/14/426910014.db2.gz SUOCPVXOACBRRI-QGZVFWFLSA-N 2 0 303.494 2.980 20 0 DFADRP C[NH+](C)[C@@]1(CN[C@H](c2ncc[nH]2)c2ccccc2)CCSC1 ZINC000275926767 426948341 /nfs/dbraw/zinc/94/83/41/426948341.db2.gz WVQDBLLYWQRXHB-DOTOQJQBSA-N 2 0 316.474 2.526 20 0 DFADRP CC[NH+](CC)[C@H](CNC(=O)C[C@H]([NH3+])C(C)C)c1ccccc1 ZINC000316752927 426949827 /nfs/dbraw/zinc/94/98/27/426949827.db2.gz FENQYDLVHXCORH-DLBZAZTESA-N 2 0 305.466 2.559 20 0 DFADRP CC(C)[C@@H]([NH3+])CC(=O)NCC1([NH+]2CCCCC2)CCCCC1 ZINC000316965623 426951965 /nfs/dbraw/zinc/95/19/65/426951965.db2.gz IYZKYLXVEXNTQD-INIZCTEOSA-N 2 0 309.498 2.665 20 0 DFADRP COc1ccc2c(c1)C[C@H]([NH2+][C@@H]1CC[N@@H+]3CCC[C@H]3C1)CC2 ZINC000317064270 426954305 /nfs/dbraw/zinc/95/43/05/426954305.db2.gz YRSNSZRSAYXDAA-KURKYZTESA-N 2 0 300.446 2.769 20 0 DFADRP CN(Cc1nccs1)[C@@H]1CC12CCN(Cc1ccon1)CC2 ZINC000283310857 426993928 /nfs/dbraw/zinc/99/39/28/426993928.db2.gz XZQZOPDWUOACFB-CQSZACIVSA-N 2 0 318.446 2.618 20 0 DFADRP CC(C)[NH+]1CCC(NC(=O)C[N@@H+]2[C@H](C)C[C@H]3CCCC[C@H]32)CC1 ZINC000247685684 426958118 /nfs/dbraw/zinc/95/81/18/426958118.db2.gz UXKYFKVZZXUZCS-JFIYKMOQSA-N 2 0 321.509 2.628 20 0 DFADRP Cc1ccc(C[NH2+]C[C@@H](C)C[NH+](C)C)c(-c2cnn(C)c2)c1 ZINC000291739137 426971162 /nfs/dbraw/zinc/97/11/62/426971162.db2.gz OTWCYFCVZWRFDR-OAHLLOKOSA-N 2 0 300.450 2.683 20 0 DFADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@H](c2cccc(F)c2)N(C)C)[C@@H](C)C1 ZINC000247967180 426972410 /nfs/dbraw/zinc/97/24/10/426972410.db2.gz IGRSHESXTVRDGE-JCGIZDLHSA-N 2 0 307.457 2.748 20 0 DFADRP CC[N@@H+]1CC[C@H](NC[C@H](c2ccco2)[NH+]2CCCC2)[C@@H](C)C1 ZINC000248049251 426975570 /nfs/dbraw/zinc/97/55/70/426975570.db2.gz VVWAOTHNHAUGER-YESZJQIVSA-N 2 0 305.466 2.736 20 0 DFADRP CC(C)Cn1cc(C[NH2+]CCCC[NH+]2C[C@@H](C)O[C@H](C)C2)cn1 ZINC000181781452 426980747 /nfs/dbraw/zinc/98/07/47/426980747.db2.gz JEUNYNNKCVSHLM-IAGOWNOFSA-N 2 0 322.497 2.518 20 0 DFADRP CN(Cc1ccccn1)[C@H]1CCC[N@H+](Cc2cccn2C)CC1 ZINC000275894573 426941413 /nfs/dbraw/zinc/94/14/13/426941413.db2.gz ZUOIUHSFKAQBAO-SFHVURJKSA-N 2 0 312.461 2.907 20 0 DFADRP C[C@H]([NH3+])CCC(=O)Nc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000248904374 427060222 /nfs/dbraw/zinc/06/02/22/427060222.db2.gz ZQZULLMBFGRZCN-CABCVRRESA-N 2 0 303.450 2.984 20 0 DFADRP C[C@@H]1C[C@@H]1C[NH2+]Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000268372477 426998012 /nfs/dbraw/zinc/99/80/12/426998012.db2.gz SAHFYHMHOGTGRZ-NVXWUHKLSA-N 2 0 301.478 2.963 20 0 DFADRP CC[C@H](COC)[NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]12 ZINC000248420519 426997970 /nfs/dbraw/zinc/99/79/70/426997970.db2.gz XCVPNHCBSZQBKS-AKHDSKFASA-N 2 0 302.462 2.912 20 0 DFADRP CC1=CCC[C@H](C)[C@@H]1C[NH2+]C[C@H](C(C)C)N1CC[NH+](C)CC1 ZINC000248425299 426999518 /nfs/dbraw/zinc/99/95/18/426999518.db2.gz KBNASPYJLIHTAY-IPMKNSEASA-N 2 0 307.526 2.840 20 0 DFADRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@@H](C)c1ccc(NC(C)=O)cc1 ZINC000182113353 427015002 /nfs/dbraw/zinc/01/50/02/427015002.db2.gz JUDDNMLXMMULSB-KBXCAEBGSA-N 2 0 321.465 2.652 20 0 DFADRP CC[NH+](CC)C[C@@H]1CC[N@H+](C[C@@H](O)CCc2ccccc2)C1 ZINC000248597813 427019933 /nfs/dbraw/zinc/01/99/33/427019933.db2.gz UEKCUZNVJXIUKL-OALUTQOASA-N 2 0 304.478 2.644 20 0 DFADRP C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1[NH2+]CCC(C)(C)O ZINC000276284864 427027185 /nfs/dbraw/zinc/02/71/85/427027185.db2.gz UQKCTVRZGBXIFN-HOTGVXAUSA-N 2 0 304.478 2.894 20 0 DFADRP C[C@H]([NH3+])CCC(=O)N(C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000248836681 427051260 /nfs/dbraw/zinc/05/12/60/427051260.db2.gz DEHNEPPIGZXATQ-XYJFISCASA-N 2 0 317.477 2.625 20 0 DFADRP C[C@H](CCCC[NH3+])NC(=O)C1CC[NH+](Cc2ccccc2)CC1 ZINC000292039223 427067419 /nfs/dbraw/zinc/06/74/19/427067419.db2.gz HYRGEAKMKPXDAV-MRXNPFEDSA-N 2 0 317.477 2.532 20 0 DFADRP O[C@@H](CCc1ccccc1)C[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000182403726 427072360 /nfs/dbraw/zinc/07/23/60/427072360.db2.gz HUNBBFRCSNMKGC-PMACEKPBSA-N 2 0 316.489 2.930 20 0 DFADRP CCC[N@@H+]1CC[C@@H](C[NH2+][C@H]2CCc3c(cccc3OC)C2)C1 ZINC000248989133 427073770 /nfs/dbraw/zinc/07/37/70/427073770.db2.gz GWEUDVCNGZBADT-RDJZCZTQSA-N 2 0 302.462 2.874 20 0 DFADRP O[C@@H]1CCC[C@@H]1[NH+]1CCC([NH2+][C@@H]2CCC[C@H]2CCCF)CC1 ZINC000337986910 427076655 /nfs/dbraw/zinc/07/66/55/427076655.db2.gz CTKILOLUNAOOAP-XOYOTBSWSA-N 2 0 312.473 2.872 20 0 DFADRP CO[C@@H]1CC[C@@H]([NH2+][C@@H](C)c2ccc(OCC[NH+](C)C)cc2)C1 ZINC000249031308 427076940 /nfs/dbraw/zinc/07/69/40/427076940.db2.gz LPILFVKFZVGHBD-YXJHDRRASA-N 2 0 306.450 2.845 20 0 DFADRP C[NH+]1CCN(c2ncccc2C[NH2+][C@H]2CC[C@@H]2C2CCC2)CC1 ZINC000337992873 427078830 /nfs/dbraw/zinc/07/88/30/427078830.db2.gz GOXAFDXZCXWNDY-MSOLQXFVSA-N 2 0 314.477 2.502 20 0 DFADRP CC[C@H](NCc1ccc(OCC[NH+](C)C)cc1)c1nccn1C ZINC000182487528 427084546 /nfs/dbraw/zinc/08/45/46/427084546.db2.gz LYKLIXLXYMNVNO-KRWDZBQOSA-N 2 0 316.449 2.601 20 0 DFADRP C[NH+]1CCN(c2cc(C[NH2+][C@H]3CC[C@H]3C3CCC3)ccn2)CC1 ZINC000338003525 427086748 /nfs/dbraw/zinc/08/67/48/427086748.db2.gz XENRSDJKDQEGME-ROUUACIJSA-N 2 0 314.477 2.502 20 0 DFADRP COCCOCCC[NH2+][C@@H]1CCN(Cc2ccccc2)C[C@@H]1C ZINC000268708082 427095873 /nfs/dbraw/zinc/09/58/73/427095873.db2.gz CMOXYQXWPPUAME-PKOBYXMFSA-N 2 0 320.477 2.540 20 0 DFADRP CC[NH+](CC)CCC[NH2+][C@@H](C)Cc1ccc(OC)c(OC)c1 ZINC000268724551 427103876 /nfs/dbraw/zinc/10/38/76/427103876.db2.gz IVOJMHHRROFPPJ-HNNXBMFYSA-N 2 0 308.466 2.956 20 0 DFADRP Cc1nc2ccccc2n1CC[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@H]1C ZINC000249329620 427106296 /nfs/dbraw/zinc/10/62/96/427106296.db2.gz VXTUSAZGAZKAIE-CKEIUWERSA-N 2 0 300.450 2.663 20 0 DFADRP OC[C@@H]1CCC[N@@H+]1CCCC[NH2+][C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000249393484 427111243 /nfs/dbraw/zinc/11/12/43/427111243.db2.gz SFJMHRBHZYFHCR-ZNMIVQPWSA-N 2 0 322.415 2.934 20 0 DFADRP CNC(=O)C[C@@H](C)[NH2+]Cc1ccccc1C[N@@H+]1CCCC[C@@H]1C ZINC000268812745 427125626 /nfs/dbraw/zinc/12/56/26/427125626.db2.gz LNQUYTSEPUQMLW-CVEARBPZSA-N 2 0 317.477 2.675 20 0 DFADRP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3ccc(-n4cccn4)cc3)CC[C@@H]21 ZINC000158529041 271076762 /nfs/dbraw/zinc/07/67/62/271076762.db2.gz LWQYLQOBSVKJIO-MJGOQNOKSA-N 2 0 310.445 2.788 20 0 DFADRP C[C@@H]1C[C@@H](N(C)C(=O)Nc2cccc(C[NH+](C)C)c2)CC[N@@H+]1C ZINC000174868304 271141273 /nfs/dbraw/zinc/14/12/73/271141273.db2.gz SPTVYPVPHPOIHJ-PBHICJAKSA-N 2 0 318.465 2.695 20 0 DFADRP C[C@H]([NH2+]C1CC1)C(=O)Nc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000296383436 427164966 /nfs/dbraw/zinc/16/49/66/427164966.db2.gz KPBHIJJKTQKXAV-CABCVRRESA-N 2 0 315.461 2.998 20 0 DFADRP CC[C@H](C[NH2+][C@@H]1C[C@@H](C)[N@H+](C)C[C@@H]1C)NC(=O)OC(C)(C)C ZINC000227714601 271238666 /nfs/dbraw/zinc/23/86/66/271238666.db2.gz UCLFYFKDEYITNL-GBJTYRQASA-N 2 0 313.486 2.608 20 0 DFADRP C[C@@H]1CCCC[N@@H+]1Cc1ccc(NC(=O)[C@@]2(C)CC[NH2+]C2)cc1 ZINC000237351671 271248095 /nfs/dbraw/zinc/24/80/95/271248095.db2.gz NLLQZVXSMJFDQH-BEFAXECRSA-N 2 0 315.461 2.999 20 0 DFADRP O[C@@H](C[NH+]1CCC(C[NH2+]Cc2cc[nH]c2)CC1)c1ccccc1 ZINC000237998419 271255905 /nfs/dbraw/zinc/25/59/05/271255905.db2.gz VCVFPAUGVKUZAX-IBGZPJMESA-N 2 0 313.445 2.550 20 0 DFADRP C[C@@H](C(=O)NC[C@H](c1ccccc1)[NH+]1CCC(C)CC1)[C@H](C)[NH3+] ZINC000248971730 271264023 /nfs/dbraw/zinc/26/40/23/271264023.db2.gz DIRNCPWXEYFZOT-SOLBZPMBSA-N 2 0 317.477 2.559 20 0 DFADRP C[NH+](C)[C@H]1CCC[N@H+](CCC(=O)Nc2ccccc2F)CC1 ZINC000277337827 427170285 /nfs/dbraw/zinc/17/02/85/427170285.db2.gz VYKXJDTYWNAYSZ-AWEZNQCLSA-N 2 0 307.413 2.570 20 0 DFADRP CC(C)C1CCC([NH2+]Cc2nnc(C3CC[NH2+]CC3)[nH]2)CC1 ZINC000333368018 271372796 /nfs/dbraw/zinc/37/27/96/271372796.db2.gz FAWQUXLNAINORQ-UHFFFAOYSA-N 2 0 305.470 2.576 20 0 DFADRP c1cn(CCC[N@@H+]2CCC[C@@H](C[NH+]3CCCCCC3)C2)cn1 ZINC000183173452 427216734 /nfs/dbraw/zinc/21/67/34/427216734.db2.gz JAPQYAFYLQNJRV-SFHVURJKSA-N 2 0 304.482 2.861 20 0 DFADRP C[C@H]1CCC[N@H+](CCCC[NH2+]Cc2cn(C(C)(C)C)nn2)C1 ZINC000190772441 427178019 /nfs/dbraw/zinc/17/80/19/427178019.db2.gz KRHSCTZWDZDRKA-HNNXBMFYSA-N 2 0 307.486 2.635 20 0 DFADRP COc1ccc([C@H](C[NH+](C)C)NC2CC[NH+](C(C)C)CC2)cc1 ZINC000284366541 427190382 /nfs/dbraw/zinc/19/03/82/427190382.db2.gz NJNLTKXQSATOIF-IBGZPJMESA-N 2 0 319.493 2.760 20 0 DFADRP C[NH+](C)CCOc1ccccc1CNCc1cc(F)ncc1F ZINC000296547939 427219380 /nfs/dbraw/zinc/21/93/80/427219380.db2.gz UGNDSYSUDUZFAJ-UHFFFAOYSA-N 2 0 321.371 2.590 20 0 DFADRP C[C@@H]1CCCC[C@@H]1C[NH+]1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000183052826 427191724 /nfs/dbraw/zinc/19/17/24/427191724.db2.gz YIDWBFWTBWPIEA-QRVBRYPASA-N 2 0 307.526 2.915 20 0 DFADRP C[NH+](C)C1CCN(CC[NH2+][C@@H]2CCCc3cc(F)ccc32)CC1 ZINC000183075179 427192186 /nfs/dbraw/zinc/19/21/86/427192186.db2.gz HZZBFGKTDGKQGB-LJQANCHMSA-N 2 0 319.468 2.819 20 0 DFADRP COc1cc(CN2CCC[C@H]([NH+](C)C)CC2)cc(OC)c1OC ZINC000277491200 427219792 /nfs/dbraw/zinc/21/97/92/427219792.db2.gz NIGXUJYBJPPUNK-HNNXBMFYSA-N 2 0 322.449 2.629 20 0 DFADRP C[N@@H+]1CCC[C@@H]1CC[NH2+][C@H](c1ccccc1)C1(CO)CCC1 ZINC000292894205 427204545 /nfs/dbraw/zinc/20/45/45/427204545.db2.gz ZABPZQFLLREPNW-QZTJIDSGSA-N 2 0 302.462 2.964 20 0 DFADRP C[C@@H](O)CC[NH2+][C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000183142243 427211337 /nfs/dbraw/zinc/21/13/37/427211337.db2.gz SJVOZGCFDJLRJE-XGXHKWSGSA-N 2 0 302.462 2.648 20 0 DFADRP C[NH+](C)C[C@@](C)(O)CNCc1ccc(-c2c(F)cccc2F)o1 ZINC000269836404 427285745 /nfs/dbraw/zinc/28/57/45/427285745.db2.gz UDJUVTODZJEXKZ-KRWDZBQOSA-N 2 0 324.371 2.627 20 0 DFADRP CC1=CC[C@H]([NH2+]Cc2ccc(C(=O)NCC[NH+](C)C)cc2)CC1 ZINC000285398582 427220514 /nfs/dbraw/zinc/22/05/14/427220514.db2.gz XCBXOKAOAWZACL-SFHVURJKSA-N 2 0 315.461 2.566 20 0 DFADRP C[C@@H]([NH3+])CCC(=O)NCc1ccc(C[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000277496768 427220852 /nfs/dbraw/zinc/22/08/52/427220852.db2.gz OMRZTFKVJGZVQT-CVEARBPZSA-N 2 0 317.477 2.805 20 0 DFADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CCSC(C)C)[C@@H](C)C1 ZINC000338287229 427236096 /nfs/dbraw/zinc/23/60/96/427236096.db2.gz HLOUWIYDPPZCRY-JKSUJKDBSA-N 2 0 302.528 2.855 20 0 DFADRP CN(C[C@H](O)c1c(F)cccc1F)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000285479478 427244635 /nfs/dbraw/zinc/24/46/35/427244635.db2.gz LDIIHEKXBZFVLH-GYVWXKFASA-N 2 0 310.388 2.555 20 0 DFADRP CC(C)SCC[NH+]1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000338298172 427246356 /nfs/dbraw/zinc/24/63/56/427246356.db2.gz UPPVFVXDMHEDQL-UHFFFAOYSA-N 2 0 314.539 2.952 20 0 DFADRP C(CO[C@@H]1CCCCO1)C[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000338317584 427254801 /nfs/dbraw/zinc/25/48/01/427254801.db2.gz NTKFVJFYIDOHOU-QZTJIDSGSA-N 2 0 310.482 2.870 20 0 DFADRP Nc1ncnc(N2CCC[C@@H](C[NH+]3CCCCCC3)C2)c1Cl ZINC000277618907 427262348 /nfs/dbraw/zinc/26/23/48/427262348.db2.gz WILWVLQULVYNCN-ZDUSSCGKSA-N 2 0 323.872 2.805 20 0 DFADRP COC(=O)c1cccc(CN(C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)c1 ZINC000285537511 427263058 /nfs/dbraw/zinc/26/30/58/427263058.db2.gz PQKKUTQLBFDGQZ-SJPCQFCGSA-N 2 0 302.418 2.530 20 0 DFADRP CC[NH+](CC)CCC[N@@H+]1CCC[C@@]1(CO)Cc1ccccc1 ZINC000338367552 427283364 /nfs/dbraw/zinc/28/33/64/427283364.db2.gz UICGCBOHBQJZNS-IBGZPJMESA-N 2 0 304.478 2.788 20 0 DFADRP CCNC(=O)[C@H](C)[NH2+]C1CCC([N@H+](C)Cc2ccccc2)CC1 ZINC000285668040 427305292 /nfs/dbraw/zinc/30/52/92/427305292.db2.gz NEUKOQCLRZWDNC-ZLPCBKJTSA-N 2 0 317.477 2.544 20 0 DFADRP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@H](C)c1csc(Cl)c1 ZINC000191274606 427305361 /nfs/dbraw/zinc/30/53/61/427305361.db2.gz WLFFFZDACIRTAX-VXGBXAGGSA-N 2 0 301.887 2.688 20 0 DFADRP C[NH+](C)C1CCN(CC[NH2+][C@H]2CCc3c2c(F)ccc3F)CC1 ZINC000269931166 427308964 /nfs/dbraw/zinc/30/89/64/427308964.db2.gz PGLXFNCMMKHWJK-KRWDZBQOSA-N 2 0 323.431 2.568 20 0 DFADRP CN(C[C@@]1(C)CC[NH2+]C1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000261732902 427338044 /nfs/dbraw/zinc/33/80/44/427338044.db2.gz HJFCOGVKBXEFAR-OALUTQOASA-N 2 0 301.478 2.582 20 0 DFADRP CC(C)[N@H+](C)Cc1cccc(CNC(=O)CC[C@H]2CC[NH2+]C2)c1 ZINC000261906495 427343308 /nfs/dbraw/zinc/34/33/08/427343308.db2.gz VVCOKJJVKMNLMG-INIZCTEOSA-N 2 0 317.477 2.533 20 0 DFADRP C[N@H+](CC1CC[NH2+]CC1)[C@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000262052766 427350484 /nfs/dbraw/zinc/35/04/84/427350484.db2.gz ZVTODQMFEBPQQT-ROUUACIJSA-N 2 0 306.425 2.977 20 0 DFADRP CC[N@H+](Cc1ccc(C(=O)N2CC[NH2+][C@H](C)[C@H]2C)cc1)C(C)C ZINC000262790944 427373331 /nfs/dbraw/zinc/37/33/31/427373331.db2.gz NELMYZKDARICBG-HZPDHXFCSA-N 2 0 317.477 2.739 20 0 DFADRP CCCC[N@H+](CC)Cc1cccc(CNC(=O)[C@@H](C)C[NH3+])c1 ZINC000285951623 427384140 /nfs/dbraw/zinc/38/41/40/427384140.db2.gz GITSBRXNNQXIHP-HNNXBMFYSA-N 2 0 305.466 2.520 20 0 DFADRP CO[C@H](C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C)C1CC1 ZINC000293623124 427384931 /nfs/dbraw/zinc/38/49/31/427384931.db2.gz FXHYGDOGDULFNV-KFKAGJAMSA-N 2 0 302.462 2.912 20 0 DFADRP c1ccc(C[N@H+]2CC[C@@H](N3CC[NH+](CC4CCC4)CC3)C2)cc1 ZINC000285999869 427397213 /nfs/dbraw/zinc/39/72/13/427397213.db2.gz OTGXONQUXJQIDU-HXUWFJFHSA-N 2 0 313.489 2.679 20 0 DFADRP c1cc(C[NH2+]C2CCN(C3CC3)CC2)cc(C[NH+]2CCCC2)c1 ZINC000297641313 427414544 /nfs/dbraw/zinc/41/45/44/427414544.db2.gz MQWUHGFIOKZXRE-UHFFFAOYSA-N 2 0 313.489 2.999 20 0 DFADRP CCc1ccc2[nH+]ccc(N[C@H](C)C[NH+]3CCN(C)CC3)c2c1 ZINC000297224883 427365951 /nfs/dbraw/zinc/36/59/51/427365951.db2.gz SXOXIEPBKPWAQY-OAHLLOKOSA-N 2 0 312.461 2.845 20 0 DFADRP Cc1nn2c(CN(C)CC[C@H]3CCCC[N@@H+]3C)c(C)nc2s1 ZINC000271201728 427447806 /nfs/dbraw/zinc/44/78/06/427447806.db2.gz PYRKNXVGXAFIPN-CQSZACIVSA-N 2 0 321.494 2.714 20 0 DFADRP CC[NH+](CC)CC1CC[NH+](Cc2cc(C(=O)OC)co2)CC1 ZINC000338784135 427487909 /nfs/dbraw/zinc/48/79/09/427487909.db2.gz SHSPHOXCVMLZHX-UHFFFAOYSA-N 2 0 308.422 2.620 20 0 DFADRP C[N@@H+]1CCN(CC[NH2+]C/C=C/c2ccc(F)c(F)c2)CC1(C)C ZINC000286203244 427452569 /nfs/dbraw/zinc/45/25/69/427452569.db2.gz YBCUNDDPEGHCOX-SNAWJCMRSA-N 2 0 323.431 2.594 20 0 DFADRP CO[C@@H](C[NH2+][C@H](C)c1cccc(OCC[NH+](C)C)c1)C1CC1 ZINC000293840127 427456949 /nfs/dbraw/zinc/45/69/49/427456949.db2.gz XRWPMZFZKINHSA-KDOFPFPSSA-N 2 0 306.450 2.703 20 0 DFADRP CN(CCC1CCN(c2cc[nH+]cc2)CC1)Cc1ncccn1 ZINC000192143517 427488406 /nfs/dbraw/zinc/48/84/06/427488406.db2.gz IOYDACHCHQZRSD-UHFFFAOYSA-N 2 0 311.433 2.610 20 0 DFADRP C[N@@H+]1CCC[C@@H]2CN([C@@H]3CC[NH+](Cc4ccccc4)C3)CC[C@@H]21 ZINC000271252644 427467917 /nfs/dbraw/zinc/46/79/17/427467917.db2.gz FWYBISBXNWNNKW-AQNXPRMDSA-N 2 0 313.489 2.677 20 0 DFADRP C[C@H](CN[C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]12)C[NH+](C)C ZINC000293863074 427469040 /nfs/dbraw/zinc/46/90/40/427469040.db2.gz XVFHAKFZQDITIZ-RSPOEFSDSA-N 2 0 315.505 2.684 20 0 DFADRP C[C@@H](C(=O)NCc1ccccc1C[NH+]1CCCCCC1)[C@H](C)[NH3+] ZINC000192105390 427481013 /nfs/dbraw/zinc/48/10/13/427481013.db2.gz GXVZFDIMYIBATK-CVEARBPZSA-N 2 0 317.477 2.662 20 0 DFADRP c1ccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@@H]([NH2+]C[C@H]2CCOC2)C3)cc1 ZINC000278157223 427420768 /nfs/dbraw/zinc/42/07/68/427420768.db2.gz BBSYUOVQJXLIJX-AKHDSKFASA-N 2 0 300.446 2.808 20 0 DFADRP CC(C)C[NH+]1CCC(NC(=O)CC2(C[NH3+])CCCCC2)CC1 ZINC000184221811 427420758 /nfs/dbraw/zinc/42/07/58/427420758.db2.gz WZZADUCNSKMXQP-UHFFFAOYSA-N 2 0 309.498 2.522 20 0 DFADRP CO[C@H](C[NH2+][C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21)C1CC1 ZINC000293754016 427426003 /nfs/dbraw/zinc/42/60/03/427426003.db2.gz QPFYLSAVAXFFFF-VNTMZGSJSA-N 2 0 314.473 2.912 20 0 DFADRP C[C@H](CNC(=O)[C@H]1CCCC[C@]1(C)[NH3+])[N@H+](C)Cc1ccccc1 ZINC000263185995 427431353 /nfs/dbraw/zinc/43/13/53/427431353.db2.gz HHHSNKFXVUFTEJ-SUMDDJOVSA-N 2 0 317.477 2.531 20 0 DFADRP C[C@@H]1CCC[C@](CNC(=O)[C@@H]2CCCC[C@]2(C)[NH3+])([NH+](C)C)C1 ZINC000263222601 427439328 /nfs/dbraw/zinc/43/93/28/427439328.db2.gz MERHOHBUIKLJSL-FZCLSBEQSA-N 2 0 309.498 2.521 20 0 DFADRP CCC[C@](C)([NH3+])C(=O)Nc1ccc(CC[NH+]2CCCC2)cc1 ZINC000263249211 427446733 /nfs/dbraw/zinc/44/67/33/427446733.db2.gz IYFGVPWAQHLGBO-SFHVURJKSA-N 2 0 303.450 2.781 20 0 DFADRP C[C@@H](C[S@](C)=O)[NH2+]C1CCC([N@H+](C)Cc2ccccc2)CC1 ZINC000286327678 427493258 /nfs/dbraw/zinc/49/32/58/427493258.db2.gz YHBXTONRHIULAN-FKSFLZPCSA-N 2 0 322.518 2.786 20 0 DFADRP C[C@H]([NH2+]CCN1CCC([NH+](C)C)CC1)[C@H]1C[C@H]1c1ccccc1 ZINC000338796990 427495194 /nfs/dbraw/zinc/49/51/94/427495194.db2.gz WUDXVHIQBBBUJC-DBVUQKKJSA-N 2 0 315.505 2.794 20 0 DFADRP C[C@H](O)C[NH2+][C@@H]1CCCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000278930752 427505967 /nfs/dbraw/zinc/50/59/67/427505967.db2.gz LERCVDCGDRRSTO-DSLXNQLJSA-N 2 0 302.462 2.648 20 0 DFADRP c1ccc(C[NH+]2CCC3(CC[N@@H+](Cc4cncnc4)C3)CC2)cc1 ZINC000293985303 427513517 /nfs/dbraw/zinc/51/35/17/427513517.db2.gz ROTACGZBOPOYAZ-UHFFFAOYSA-N 2 0 322.456 2.965 20 0 DFADRP C[C@H](CO)[NH2+][C@@H]1CCCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000278980517 427521381 /nfs/dbraw/zinc/52/13/81/427521381.db2.gz PJPBJRBHFDTRAX-OQIJWPOYSA-N 2 0 302.462 2.648 20 0 DFADRP COC(=O)C1CCC([NH2+]C[C@@H](C)N(C)Cc2ccccc2)CC1 ZINC000192442300 427539321 /nfs/dbraw/zinc/53/93/21/427539321.db2.gz HVXOOHZCIJYRQR-FAEJEUNOSA-N 2 0 318.461 2.828 20 0 DFADRP c1c(CC[NH2+]C2CCN(c3cc[nH+]cc3)CC2)nc2ccccn12 ZINC000294081514 427541877 /nfs/dbraw/zinc/54/18/77/427541877.db2.gz AGFJYYJHZSPRIE-UHFFFAOYSA-N 2 0 321.428 2.530 20 0 DFADRP C[C@@H](CN1CCC[C@@H](C)C1)[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000298233400 427542152 /nfs/dbraw/zinc/54/21/52/427542152.db2.gz BMVBLQNSDKCBEP-SJORKVTESA-N 2 0 316.493 2.760 20 0 DFADRP C[N@H+](CCCNC1CC[NH+](C2CC2)CC1)Cc1ccccc1 ZINC000298245273 427546116 /nfs/dbraw/zinc/54/61/16/427546116.db2.gz CVURDQSUNHXBQA-UHFFFAOYSA-N 2 0 301.478 2.725 20 0 DFADRP CC[NH+](CC)CCOc1ccccc1C[NH2+][C@H]1CCOC[C@H]1C ZINC000192479562 427548587 /nfs/dbraw/zinc/54/85/87/427548587.db2.gz TVFHCHWAPZPIOA-AEFFLSMTSA-N 2 0 320.477 2.922 20 0 DFADRP C[C@](O)(C[NH2+]C1CCN(c2cc[nH+]cc2)CC1)c1ccccc1 ZINC000298451012 427613067 /nfs/dbraw/zinc/61/30/67/427613067.db2.gz OARIRJNRBXTFSD-IBGZPJMESA-N 2 0 311.429 2.548 20 0 DFADRP c1cc(N2CCC([NH2+]CCc3ccc4c(c3)CCO4)CC2)cc[nH+]1 ZINC000298461037 427615884 /nfs/dbraw/zinc/61/58/84/427615884.db2.gz OIACROIIUWIOGY-UHFFFAOYSA-N 2 0 323.440 2.818 20 0 DFADRP COC(=O)Nc1ccc(CC[NH2+][C@@H]2C[C@@H](C)[N@H+](C)C[C@@H]2C)cc1 ZINC000271508448 427563974 /nfs/dbraw/zinc/56/39/74/427563974.db2.gz OKDAETBTRUAMDB-JJRVBVJISA-N 2 0 319.449 2.726 20 0 DFADRP C[C@@H]1Cc2ccccc2[C@@H]1[NH2+]C1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000271513517 427567223 /nfs/dbraw/zinc/56/72/23/427567223.db2.gz ODJMHFBOUSADMA-PPRPKMEESA-N 2 0 314.473 2.887 20 0 DFADRP CC(C)C[C@@H](C[NH2+]C1CCN(c2cc[nH+]cc2)CC1)N(C)C ZINC000294165648 427571115 /nfs/dbraw/zinc/57/11/15/427571115.db2.gz IUEFRAUIOSQKGC-SFHVURJKSA-N 2 0 304.482 2.616 20 0 DFADRP C[C@H](O)CCC[NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]12 ZINC000279152021 427576795 /nfs/dbraw/zinc/57/67/95/427576795.db2.gz SUDBMAKMYOLBOF-JCHJZTRSSA-N 2 0 302.462 2.648 20 0 DFADRP CC[C@@H]([NH2+]CC[C@H]1CCC[N@@H+]1C)c1ccc2c(c1)OCCO2 ZINC000271652718 427580648 /nfs/dbraw/zinc/58/06/48/427580648.db2.gz IMTLVHGBLIRRND-HZPDHXFCSA-N 2 0 304.434 2.983 20 0 DFADRP C[C@@H]([NH3+])[C@@H]1CCCCN1C(=O)NCC1([NH+](C)C)CCCCCC1 ZINC000332338209 427584812 /nfs/dbraw/zinc/58/48/12/427584812.db2.gz NCYXQEJOECJBPV-CVEARBPZSA-N 2 0 324.513 2.552 20 0 DFADRP COCCOc1ccc([C@@H](C)[NH2+]CC2=CC[N@H+](C)CC2)cc1 ZINC000271822376 427589047 /nfs/dbraw/zinc/58/90/47/427589047.db2.gz CQGMCBBLKCRANI-OAHLLOKOSA-N 2 0 304.434 2.624 20 0 DFADRP CC(C)[N@H+](C)CCCNC(=O)c1ccc(C[NH+]2CCCC2)cc1 ZINC000298439752 427608969 /nfs/dbraw/zinc/60/89/69/427608969.db2.gz OZSWBOPLKKZQBM-UHFFFAOYSA-N 2 0 317.477 2.743 20 0 DFADRP C[C@@H]([NH2+]C1CCN(c2cc[nH+]cc2)CC1)C(=O)Nc1ccccc1 ZINC000298440924 427609174 /nfs/dbraw/zinc/60/91/74/427609174.db2.gz NKGXXJPMVIRMIU-OAHLLOKOSA-N 2 0 324.428 2.667 20 0 DFADRP COc1ccc(C[NH2+]CC2(C)CC[NH+](C)CC2)c(C)c1OC ZINC000342127325 271949518 /nfs/dbraw/zinc/94/95/18/271949518.db2.gz AVQALOAHUXHRHY-UHFFFAOYSA-N 2 0 306.450 2.834 20 0 DFADRP C[C@@](O)(C[NH2+]C1CCN(c2cc[nH+]cc2)CC1)c1ccccc1 ZINC000298451015 427611397 /nfs/dbraw/zinc/61/13/97/427611397.db2.gz OARIRJNRBXTFSD-LJQANCHMSA-N 2 0 311.429 2.548 20 0 DFADRP C[C@@H](C[NH+]1CCC(C(=O)NCC[NH+](C)C)CC1)C1CCCCC1 ZINC000339034534 427636857 /nfs/dbraw/zinc/63/68/57/427636857.db2.gz ZDWMZHOXDDTZSX-INIZCTEOSA-N 2 0 323.525 2.593 20 0 DFADRP C[C@H]1CCCC[N@@H+]1CCCNC(=O)CC1(C[NH3+])CCCCC1 ZINC000185337858 427637533 /nfs/dbraw/zinc/63/75/33/427637533.db2.gz VLDLYAAWAPAYCT-INIZCTEOSA-N 2 0 309.498 2.666 20 0 DFADRP CCC[C@H]([NH2+]CC1CC[NH+](CCN(C)C)CC1)c1cccnc1 ZINC000185352823 427639339 /nfs/dbraw/zinc/63/93/39/427639339.db2.gz CFRWONVAXRYZFD-IBGZPJMESA-N 2 0 318.509 2.786 20 0 DFADRP CC[N@@H+]1CC[C@H]([NH2+]Cc2cccc(NC(=O)OC)c2)[C@H](C)C1 ZINC000287565504 427640412 /nfs/dbraw/zinc/64/04/12/427640412.db2.gz QIQMXCBGOGRUHL-CJNGLKHVSA-N 2 0 305.422 2.685 20 0 DFADRP C[N@@H+]1CCCC[C@@H]1CC[NH+]1CC[C@@H](OCc2ccncc2)C1 ZINC000287583827 427647317 /nfs/dbraw/zinc/64/73/17/427647317.db2.gz CIVPLJVWLVJFDW-QZTJIDSGSA-N 2 0 303.450 2.547 20 0 DFADRP CC(C)[NH+]1CCC(O)(C[NH2+]C[C@@H](C)c2ccc(F)cc2)CC1 ZINC000272158584 427655484 /nfs/dbraw/zinc/65/54/84/427655484.db2.gz ZHSJWFKHQZCBDQ-OAHLLOKOSA-N 2 0 308.441 2.754 20 0 DFADRP CC(C)[NH+]1CCC(O)(C[NH2+]C[C@H](C)c2ccc(F)cc2)CC1 ZINC000272158583 427655523 /nfs/dbraw/zinc/65/55/23/427655523.db2.gz ZHSJWFKHQZCBDQ-HNNXBMFYSA-N 2 0 308.441 2.754 20 0 DFADRP CC[N@H+](C)Cc1cccc(CNC(=O)[C@H]2CCCC[NH+]2CC)c1 ZINC000264102162 427656880 /nfs/dbraw/zinc/65/68/80/427656880.db2.gz NDPBUOAVQJBCJC-GOSISDBHSA-N 2 0 317.477 2.629 20 0 DFADRP COc1ccc(OC)c(CCC[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)c1 ZINC000193053386 427657419 /nfs/dbraw/zinc/65/74/19/427657419.db2.gz WVGZNXLXNGDRHK-ALOPSCKCSA-N 2 0 318.461 2.851 20 0 DFADRP C[C@H]([NH2+]C[C@H]1CCCOC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272164031 427658667 /nfs/dbraw/zinc/65/86/67/427658667.db2.gz GHBOMBZGYASNMM-UHOSZYNNSA-N 2 0 302.462 2.913 20 0 DFADRP CC(C)c1ccc([C@H]([NH3+])CNC(=O)C[C@@H]2CCCC[C@H]2[NH3+])cc1 ZINC000294910440 427666152 /nfs/dbraw/zinc/66/61/52/427666152.db2.gz CCECRYGOQWOEQS-RCCFBDPRSA-N 2 0 317.477 2.834 20 0 DFADRP C[NH+](C/C=C\C[N@H+](C)CC[C@@H]1CCCO1)CC[C@@H]1CCCO1 ZINC000342583611 272027994 /nfs/dbraw/zinc/02/79/94/272027994.db2.gz ICZKVKTWPIGBTB-OOUWWJCLSA-N 2 0 310.482 2.544 20 0 DFADRP CC(C)c1ccc([C@H]([NH3+])CNC(=O)[C@@H]2CC[NH2+][C@@H]2C(C)C)cc1 ZINC000295002591 427668441 /nfs/dbraw/zinc/66/84/41/427668441.db2.gz IGXFZPBSJCTRTE-KZNAEPCWSA-N 2 0 317.477 2.560 20 0 DFADRP Cn1cnc2cc(C[NH+]3CCC(C[NH+]4CCCC4)CC3)ccc21 ZINC000342679704 272040166 /nfs/dbraw/zinc/04/01/66/272040166.db2.gz YTLRJXOARJLDCY-UHFFFAOYSA-N 2 0 312.461 2.881 20 0 DFADRP Cc1ccccc1C[C@@H]([NH2+]CC1CC[NH+](CCO)CC1)C1CC1 ZINC000342687190 272041409 /nfs/dbraw/zinc/04/14/09/272041409.db2.gz HQWFNLMPMRSZBR-HXUWFJFHSA-N 2 0 316.489 2.610 20 0 DFADRP CCC[C@H](C(=O)NC[C@@H](C(C)C)[NH+]1CCC(C)CC1)[NH+](C)C ZINC000343097505 272085339 /nfs/dbraw/zinc/08/53/39/272085339.db2.gz UAUIIXJTXZIDCK-SJORKVTESA-N 2 0 311.514 2.589 20 0 DFADRP CC[N@@H+]1C[C@@H](C)[C@@H](NC2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000343164548 272092458 /nfs/dbraw/zinc/09/24/58/272092458.db2.gz WHBZKXIFOXTAOJ-XLIONFOSSA-N 2 0 315.505 2.623 20 0 DFADRP CO[C@H]1C[C@@H](CN(C)c2cc(C)[nH+]c3ccc(F)cc32)[N@H+](C)C1 ZINC000343300280 272115169 /nfs/dbraw/zinc/11/51/69/272115169.db2.gz DXFFVQHLQIFZQA-GJZGRUSLSA-N 2 0 317.408 2.838 20 0 DFADRP CCN1C[C@H]([NH2+]Cc2cccc(C[NH+](CC)CC)c2)[C@@H](C)C1 ZINC000343557944 272169897 /nfs/dbraw/zinc/16/98/97/272169897.db2.gz GOESZZDYEPTGDX-LPHOPBHVSA-N 2 0 303.494 2.958 20 0 DFADRP C[N@@H+](Cc1ccccc1)CC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000343733408 272209642 /nfs/dbraw/zinc/20/96/42/272209642.db2.gz JSIKHAXRMFIZMD-LJQANCHMSA-N 2 0 302.462 2.867 20 0 DFADRP CC(C)(C)[C@@H](O)C[N@@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000343937904 272240832 /nfs/dbraw/zinc/24/08/32/272240832.db2.gz KZQLWOVJTRKNCO-ICSRJNTNSA-N 2 0 316.489 2.991 20 0 DFADRP CN(CCC[N@H+](C)[C@H]1CCCc2ccccc21)CC[NH+](C)C ZINC000344009687 272249323 /nfs/dbraw/zinc/24/93/23/272249323.db2.gz BJXMMDMSISAOKH-IBGZPJMESA-N 2 0 303.494 2.879 20 0 DFADRP C[C@H](C(=O)NC[C@@]1([NH+](C)C)CCC[C@@H](C)C1)[NH+]1CCCCCC1 ZINC000344027206 272251326 /nfs/dbraw/zinc/25/13/26/272251326.db2.gz DOWXYDBREICHOR-ZHALLVOQSA-N 2 0 323.525 2.878 20 0 DFADRP C[N@H+](CCCNC1C[C@H]2CC[C@@H](C1)[NH+]2C)Cc1ccccc1 ZINC000193202695 427677644 /nfs/dbraw/zinc/67/76/44/427677644.db2.gz OTVRZBIJJQPFBS-YQQQUEKLSA-N 2 0 301.478 2.723 20 0 DFADRP CC[NH+](CC)[C@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@H](C)C1)c1ccco1 ZINC000344165473 272277883 /nfs/dbraw/zinc/27/78/83/272277883.db2.gz ZGPVXWWRIOLJCT-BZUAXINKSA-N 2 0 321.465 2.509 20 0 DFADRP CC[NH+](CC)CCC[C@@H](C)NC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC000344177967 272280500 /nfs/dbraw/zinc/28/05/00/272280500.db2.gz UEQLLKCPJJISPN-IAGOWNOFSA-N 2 0 311.514 2.878 20 0 DFADRP C[C@H]1CN(C)C[C@@H]1[NH2+]Cc1cccc(C[NH+]2CCC(C)CC2)c1 ZINC000344191446 272284427 /nfs/dbraw/zinc/28/44/27/272284427.db2.gz VFSGYGSHXGACNK-PXNSSMCTSA-N 2 0 315.505 2.958 20 0 DFADRP COC(C)(C)C[C@@H](C)[NH2+]Cc1cn(-c2cc[nH+]cc2)nc1C ZINC000344204476 272286766 /nfs/dbraw/zinc/28/67/66/272286766.db2.gz CRBDOGIWDGOHEB-CYBMUJFWSA-N 2 0 302.422 2.869 20 0 DFADRP C[NH+](C)CCCOc1ccc(C[NH2+]CC[C@@H]2CCOC2)cc1 ZINC000344268170 272301605 /nfs/dbraw/zinc/30/16/05/272301605.db2.gz LMVWNLOBZAFFLE-QGZVFWFLSA-N 2 0 306.450 2.533 20 0 DFADRP c1cc(OCC[NH+]2CCCC2)ccc1C[NH2+]CC[C@H]1CCOC1 ZINC000344296631 272306998 /nfs/dbraw/zinc/30/69/98/272306998.db2.gz NGRGQYBVAJIQOZ-SFHVURJKSA-N 2 0 318.461 2.677 20 0 DFADRP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+][C@@H]1CCOC(C)(C)C1 ZINC000344311058 272309050 /nfs/dbraw/zinc/30/90/50/272309050.db2.gz VVZIVZKGPMIELV-OAHLLOKOSA-N 2 0 300.406 2.623 20 0 DFADRP CC(C)CCn1cccc1C[NH2+]CC1(O)CC[NH+](C(C)C)CC1 ZINC000344664926 272353093 /nfs/dbraw/zinc/35/30/93/272353093.db2.gz JJSWWMLZPDXWIM-UHFFFAOYSA-N 2 0 321.509 2.859 20 0 DFADRP CC[C@H](C(=O)NCCC[N@H+](C)C1CCCCC1)[NH+](CC)CC ZINC000344808734 272372683 /nfs/dbraw/zinc/37/26/83/272372683.db2.gz IRLLYPAZOQRNKC-QGZVFWFLSA-N 2 0 311.514 2.878 20 0 DFADRP CCCN(CC[NH+](C)C)C(=O)[C@H](c1ccccc1)[NH+](CC)CC ZINC000344822259 272375018 /nfs/dbraw/zinc/37/50/18/272375018.db2.gz GXWAARPKDPNVMS-SFHVURJKSA-N 2 0 319.493 2.870 20 0 DFADRP COC[C@@H]1CCCC[N@H+](Cc2cn(-c3cc[nH+]cc3)nc2C)C1 ZINC000344882846 272381062 /nfs/dbraw/zinc/38/10/62/272381062.db2.gz ANRWZFQWHMXIMK-MRXNPFEDSA-N 2 0 314.433 2.824 20 0 DFADRP CC(C)Oc1ccc(C[NH2+][C@H](C)CCN2CC[NH+](C)CC2)cc1 ZINC000185871679 427722164 /nfs/dbraw/zinc/72/21/64/427722164.db2.gz UVCZTPXNQWKXKN-QGZVFWFLSA-N 2 0 319.493 2.589 20 0 DFADRP CO[C@H](c1ccccc1)[C@@H](C)[NH2+]CCCC[N@@H+]1CCC[C@@H]1CO ZINC000279841727 427722893 /nfs/dbraw/zinc/72/28/93/427722893.db2.gz ZXDVDCKDDJSDQC-QRQLOZEOSA-N 2 0 320.477 2.589 20 0 DFADRP CC(=O)c1ccccc1OCC[NH+]1CCC(CC[NH+](C)C)CC1 ZINC000193434582 427690412 /nfs/dbraw/zinc/69/04/12/427690412.db2.gz OLJHHNASAWCWCE-UHFFFAOYSA-N 2 0 318.461 2.932 20 0 DFADRP C[N@H+]1C[C@H]2CN(Cc3ncc(-c4cccc(Cl)c4)o3)C[C@H]2C1 ZINC000193641840 427702241 /nfs/dbraw/zinc/70/22/41/427702241.db2.gz SVOLTERKKVZRAI-OKILXGFUSA-N 2 0 317.820 2.988 20 0 DFADRP [NH3+]C1(CN[C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)C2CC3CC(C2)CC1C3 ZINC000333886568 427703573 /nfs/dbraw/zinc/70/35/73/427703573.db2.gz XHIZWLSCMGPWGC-VVOAZBBBSA-N 2 0 317.521 2.650 20 0 DFADRP Cc1ccc2[nH+]ccc(N3C[C@@H](C)[C@H]([NH+]4CCOCC4)C3)c2c1 ZINC000185772803 427704634 /nfs/dbraw/zinc/70/46/34/427704634.db2.gz CPUUEGTWSAQUMK-DNVCBOLYSA-N 2 0 311.429 2.700 20 0 DFADRP CCOC1CC[NH+](C/C=C/C[NH+]2CCC(OCC)CC2)CC1 ZINC000193778063 427711246 /nfs/dbraw/zinc/71/12/46/427711246.db2.gz SPFTYQKWNXUMHZ-AATRIKPKSA-N 2 0 310.482 2.544 20 0 DFADRP Cc1nc(C)c(C[NH2+]C2CCN(c3cc[nH+]cc3)CC2)s1 ZINC000336848715 427756931 /nfs/dbraw/zinc/75/69/31/427756931.db2.gz MIVKFXMZXSMLNN-UHFFFAOYSA-N 2 0 302.447 2.914 20 0 DFADRP CC(=O)c1ccccc1OCCN1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000339432918 427773765 /nfs/dbraw/zinc/77/37/65/427773765.db2.gz FRYZVRNHUSKDJK-LJQANCHMSA-N 2 0 316.445 2.686 20 0 DFADRP Cc1cccc(NC(=O)[C@@H](C)N2CC[C@@]3(C2)CCC[N@H+](C)C3)c1 ZINC000339433047 427774432 /nfs/dbraw/zinc/77/44/32/427774432.db2.gz IENBYKCNKRWVIT-APWZRJJASA-N 2 0 315.461 2.740 20 0 DFADRP C[C@@H](CCN1CC[NH+](C)CC1)[NH2+]Cc1ccc2ccccc2c1 ZINC000185882143 427724427 /nfs/dbraw/zinc/72/44/27/427724427.db2.gz XFSDZMRGIGFYTN-KRWDZBQOSA-N 2 0 311.473 2.955 20 0 DFADRP C1CC2(C1)[C@@H]1OCC[C@@H]1[C@@H]2[NH2+]C1CC[NH+](C2CCCC2)CC1 ZINC000194069120 427728522 /nfs/dbraw/zinc/72/85/22/427728522.db2.gz YULCEVCKMLNRJC-FGTMMUONSA-N 2 0 304.478 2.941 20 0 DFADRP C[N@H+]1C[C@H]2CN(Cc3ccc(CSC(F)F)o3)C[C@H]2C1 ZINC000194543253 427746736 /nfs/dbraw/zinc/74/67/36/427746736.db2.gz AYWDZIOUURVLKK-PHIMTYICSA-N 2 0 302.390 2.729 20 0 DFADRP COCC[N@H+](CCCOc1ccc(F)cc1)CC1CC[NH2+]CC1 ZINC000337078286 427796136 /nfs/dbraw/zinc/79/61/36/427796136.db2.gz SKQYDNPFCTWXLL-UHFFFAOYSA-N 2 0 324.440 2.543 20 0 DFADRP CCO[C@H]1C[C@@H]([NH2+]CCCCC[NH+]2CCCC2)C12CCOCC2 ZINC000340474174 427858153 /nfs/dbraw/zinc/85/81/53/427858153.db2.gz RJQFVIDGLHUQNZ-MSOLQXFVSA-N 2 0 324.509 2.816 20 0 DFADRP CCc1cc(OC)ccc1C[NH2+]CC1(O)CC[NH+](C(C)C)CC1 ZINC000337249990 427824002 /nfs/dbraw/zinc/82/40/02/427824002.db2.gz JTTMPGQYVHWMEV-UHFFFAOYSA-N 2 0 320.477 2.583 20 0 DFADRP CC(C)[NH+]1CCN(CCC[N@@H+]2Cc3ccccc3[C@H]2C)CC1 ZINC000337249704 427824060 /nfs/dbraw/zinc/82/40/60/427824060.db2.gz LZUDMKCPDMPWLD-QGZVFWFLSA-N 2 0 301.478 2.979 20 0 DFADRP C[C@H]1CCC[C@](CNC(=O)c2ccc3c[nH+]cn3c2)([NH+](C)C)C1 ZINC000339816569 427834686 /nfs/dbraw/zinc/83/46/86/427834686.db2.gz SNFSTUXURWRXBI-KSSFIOAISA-N 2 0 314.433 2.575 20 0 DFADRP COCCN1CCC[C@H]1C[NH2+]Cc1cc2c(ccc(C)c2C)[nH]1 ZINC000349631548 427834658 /nfs/dbraw/zinc/83/46/58/427834658.db2.gz OWVTUYGFVNKXEJ-KRWDZBQOSA-N 2 0 315.461 2.985 20 0 DFADRP COCC[N@H+](C)CCC[NH2+]Cc1cc2c(ccc(C)c2C)[nH]1 ZINC000349657496 427837793 /nfs/dbraw/zinc/83/77/93/427837793.db2.gz WDGNWRZPMYPTCP-UHFFFAOYSA-N 2 0 303.450 2.843 20 0 DFADRP C[N@H+](CCCN1CC[NH+](C)CC1)CCSC1CCCCC1 ZINC000337315900 427842158 /nfs/dbraw/zinc/84/21/58/427842158.db2.gz KEUWZVRXOLBCEP-UHFFFAOYSA-N 2 0 313.555 2.622 20 0 DFADRP CC(C)OC[C@H](C)[NH2+]Cc1ccccc1C[NH+]1CCC(O)CC1 ZINC000337335756 427850566 /nfs/dbraw/zinc/85/05/66/427850566.db2.gz LSNKLHLXHRUEIM-INIZCTEOSA-N 2 0 320.477 2.546 20 0 DFADRP CC[NH+](CC)CCOCC[NH2+][C@H](C)c1cccc(F)c1F ZINC000349724758 427851303 /nfs/dbraw/zinc/85/13/03/427851303.db2.gz VMOCUMDCMGSVFV-CYBMUJFWSA-N 2 0 300.393 2.974 20 0 DFADRP C[NH+](C)C1CCN(CCNC(=O)C[C@H]2CCCCC2(C)C)CC1 ZINC000337343783 427855105 /nfs/dbraw/zinc/85/51/05/427855105.db2.gz XYJMKCCCTZHOQJ-MRXNPFEDSA-N 2 0 323.525 2.735 20 0 DFADRP COC1CC[NH+](C2(CNc3cc[nH+]cc3C)CCCC2)CC1 ZINC000359486924 427872419 /nfs/dbraw/zinc/87/24/19/427872419.db2.gz UYIMCSZQBBNBFB-UHFFFAOYSA-N 2 0 303.450 2.647 20 0 DFADRP Cc1ccc(F)c(C[NH2+]C(C)(C)CCN2CC[NH+](C)CC2)c1 ZINC000349823785 427873146 /nfs/dbraw/zinc/87/31/46/427873146.db2.gz VWFZEXIDTTUEMU-UHFFFAOYSA-N 2 0 307.457 2.640 20 0 DFADRP C[N@H+](CCCNC(=O)[C@@H]1CCCC[C@]1(C)[NH3+])C1CCCCC1 ZINC000345713860 427874367 /nfs/dbraw/zinc/87/43/67/427874367.db2.gz LHXJLQFTFJULOJ-WMZOPIPTSA-N 2 0 309.498 2.665 20 0 DFADRP CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCCC[C@@]1(C)[NH3+] ZINC000345726988 427878040 /nfs/dbraw/zinc/87/80/40/427878040.db2.gz ZEDOKCQDJIEDGR-SOLBZPMBSA-N 2 0 309.498 2.665 20 0 DFADRP COc1cc(C)c(C[NH2+]CC2(C)CC[NH+](C)CC2)cc1OC ZINC000355775265 427886959 /nfs/dbraw/zinc/88/69/59/427886959.db2.gz POLYGMHWGLHSRV-UHFFFAOYSA-N 2 0 306.450 2.834 20 0 DFADRP CC[N@@H+]1CC[C@H](C[NH2+][C@H](C)Cc2cc(OC)c(OC)cc2C)C1 ZINC000337409601 427891725 /nfs/dbraw/zinc/89/17/25/427891725.db2.gz WHJBSJKCTIYADP-HZPDHXFCSA-N 2 0 320.477 2.875 20 0 DFADRP [NH3+][C@@H](CC(F)F)C(=O)Nc1cccc(C[NH+]2CCCCC2)c1 ZINC000345759564 427892888 /nfs/dbraw/zinc/89/28/88/427892888.db2.gz GPJBWBHLOZHHIX-AWEZNQCLSA-N 2 0 311.376 2.594 20 0 DFADRP C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC000345775766 427902308 /nfs/dbraw/zinc/90/23/08/427902308.db2.gz JENALPSPENXELU-XMTFNYHQSA-N 2 0 323.525 2.734 20 0 DFADRP CC[N@H+](CC(=O)N(CC[NH+]1CCCCCC1)C1CCC1)C1CC1 ZINC000345815703 427918160 /nfs/dbraw/zinc/91/81/60/427918160.db2.gz WXLLWOYMRLXRAB-UHFFFAOYSA-N 2 0 321.509 2.728 20 0 DFADRP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](Cc3cnc(-c4ccncc4)s3)C[C@H]21 ZINC000346813357 272688296 /nfs/dbraw/zinc/68/82/96/272688296.db2.gz AVWYNGGVYYWVPB-FVQBIDKESA-N 2 0 314.458 2.764 20 0 DFADRP Cc1nn(C)c(C)c1C[NH2+][C@@H]1CCN(C)[C@H](c2ccccc2)C1 ZINC000340216876 427956478 /nfs/dbraw/zinc/95/64/78/427956478.db2.gz FEZVJQXTKADEAE-MJGOQNOKSA-N 2 0 312.461 2.962 20 0 DFADRP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@H](C)CCCC(F)(F)F)CC1 ZINC000359659772 427961085 /nfs/dbraw/zinc/96/10/85/427961085.db2.gz AQIORGSSABAHOW-HUUCEWRRSA-N 2 0 323.447 2.971 20 0 DFADRP C[C@H](CCCC(F)(F)F)[NH2+]C[C@@H](O)C[NH+]1CCC(C)CC1 ZINC000359662782 427962460 /nfs/dbraw/zinc/96/24/60/427962460.db2.gz LAKOPHWZCLKZOH-ZIAGYGMSSA-N 2 0 310.404 2.790 20 0 DFADRP CC[NH+]1CCN([C@H](C)C[NH2+][C@@H](C)CCCC(F)(F)F)CC1 ZINC000359667298 427964944 /nfs/dbraw/zinc/96/49/44/427964944.db2.gz ZXNSYWDEQWEWPA-UONOGXRCSA-N 2 0 309.420 2.723 20 0 DFADRP OCC[N@@H+](Cc1ccc(Cl)c(Cl)c1)CC1CC[NH2+]CC1 ZINC000346966241 272704593 /nfs/dbraw/zinc/70/45/93/272704593.db2.gz DKBWZRHUKUXWQZ-UHFFFAOYSA-N 2 0 317.260 2.787 20 0 DFADRP C[C@H](CCc1ccc2c(c1)OCO2)[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000337599529 427976022 /nfs/dbraw/zinc/97/60/22/427976022.db2.gz MYYAOARHSQXFEJ-HYVNUMGLSA-N 2 0 316.445 2.953 20 0 DFADRP CC(C)[C@H](C(=O)NCC[N@H+]1[C@H](C)CCC[C@@H]1C)[NH+]1CCCCC1 ZINC000341047741 427979629 /nfs/dbraw/zinc/97/96/29/427979629.db2.gz BSQAQDFDUVNETL-FGTMMUONSA-N 2 0 323.525 2.876 20 0 DFADRP COC1(C[NH2+]CCc2ccc(OCC[NH+](C)C)cc2)CCCC1 ZINC000359717579 427985188 /nfs/dbraw/zinc/98/51/88/427985188.db2.gz IXZZVADTLGXYKO-UHFFFAOYSA-N 2 0 320.477 2.718 20 0 DFADRP COC(C)(C)[C@H](C)[NH2+]Cc1ccccc1C[N@@H+]1CCC[C@@H]1CO ZINC000340353135 427996142 /nfs/dbraw/zinc/99/61/42/427996142.db2.gz YUECMLOAYXJVHZ-MAUKXSAKSA-N 2 0 320.477 2.546 20 0 DFADRP CC(C)(C)OC(=O)N1CC[C@@H]([NH2+]C2CC([NH+]3CCCCC3)C2)C1 ZINC000369539919 427992061 /nfs/dbraw/zinc/99/20/61/427992061.db2.gz HFQLNYFNPNEVRI-QQFBHYJXSA-N 2 0 323.481 2.602 20 0 DFADRP CC[N@H+](CCC1CC[NH+](Cc2cncn2C)CC1)CC1CC1 ZINC000355903735 427941457 /nfs/dbraw/zinc/94/14/57/427941457.db2.gz VJHDBGFPYGDRGB-UHFFFAOYSA-N 2 0 304.482 2.754 20 0 DFADRP CC[NH+]1CCC(N[C@H]2CC[N@H+](C)[C@H](c3ccccc3)C2)CC1 ZINC000340181202 427946720 /nfs/dbraw/zinc/94/67/20/427946720.db2.gz MWKLCNHYTLPIFA-OALUTQOASA-N 2 0 301.478 2.896 20 0 DFADRP CCC[N@H+](CC)C[C@H](C)NC(=O)[C@H]1CCC[NH+]1C1CCCC1 ZINC000359806279 428024472 /nfs/dbraw/zinc/02/44/72/428024472.db2.gz LWIKWUCXEIXFHC-DOTOQJQBSA-N 2 0 309.498 2.630 20 0 DFADRP CC[N@@H+](Cc1cn(-c2cc[nH+]cc2)nc1C)C[C@H]1CCCO1 ZINC000346131588 428030647 /nfs/dbraw/zinc/03/06/47/428030647.db2.gz KLOZUABWIGBHKH-QGZVFWFLSA-N 2 0 300.406 2.577 20 0 DFADRP C[C@@H](O)C[N@H+](C)C1CC[NH+]([C@@H](C)CCc2cccc(F)c2)CC1 ZINC000341332800 428033346 /nfs/dbraw/zinc/03/33/46/428033346.db2.gz WQWQQQFGEFSQTB-JKSUJKDBSA-N 2 0 322.468 2.924 20 0 DFADRP C[C@H](C[NH+]1CCCCC1)NC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000359845952 428043197 /nfs/dbraw/zinc/04/31/97/428043197.db2.gz CJILJGOQTIMTJZ-IAGOWNOFSA-N 2 0 321.509 2.632 20 0 DFADRP CCC(C)(C)[NH2+][C@@H](C)C(=O)NCCCC[N@@H+]1CCC[C@@H](C)C1 ZINC000347532552 272799339 /nfs/dbraw/zinc/79/93/39/272799339.db2.gz UMRYHTHBJZSJNR-CVEARBPZSA-N 2 0 311.514 2.781 20 0 DFADRP CCC(C)(C)[NH2+][C@H](C)C(=O)N1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000356171398 428053272 /nfs/dbraw/zinc/05/32/72/428053272.db2.gz RLMCONIOLBINAD-HZPDHXFCSA-N 2 0 309.498 2.630 20 0 DFADRP COc1cc2[nH+]ccc(N3C[C@H](C)[N@H+](C)C[C@@H]3C)c2cc1OC ZINC000413221358 427996622 /nfs/dbraw/zinc/99/66/22/427996622.db2.gz SZLKNLSHTPLFOI-STQMWFEESA-N 2 0 315.417 2.781 20 0 DFADRP CN1CC[C@H]([NH2+][C@@H]2CCC[C@@H]2CCO)C[C@H]1c1ccccc1 ZINC000340360105 427999422 /nfs/dbraw/zinc/99/94/22/427999422.db2.gz YJNHEYSQPKXPBZ-LULLPPNCSA-N 2 0 302.462 2.963 20 0 DFADRP CC[C@@H](C(=O)NC[C@H](C)[N@H+](C)Cc1ccccc1)[NH+](CC)CC ZINC000346101061 428020096 /nfs/dbraw/zinc/02/00/96/428020096.db2.gz SIKIWVQSWFJHGM-WMZOPIPTSA-N 2 0 319.493 2.744 20 0 DFADRP CC[C@H](C(=O)NC[C@H](C)[N@H+](C)Cc1ccccc1)[NH+](CC)CC ZINC000346101058 428020171 /nfs/dbraw/zinc/02/01/71/428020171.db2.gz SIKIWVQSWFJHGM-FUHWJXTLSA-N 2 0 319.493 2.744 20 0 DFADRP Cc1cc(NCC[N@@H+]2CCc3sccc3C2)nc(C2CC2)n1 ZINC000341449015 428068386 /nfs/dbraw/zinc/06/83/86/428068386.db2.gz FPVUUSMWJTWPLH-UHFFFAOYSA-N 2 0 314.458 3.194 20 0 DFADRP CC[NH+](CC)CCN(CC(C)C)C(=O)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000346213121 428073342 /nfs/dbraw/zinc/07/33/42/428073342.db2.gz JADOCCWFCPCIPQ-DLBZAZTESA-N 2 0 311.514 2.543 20 0 DFADRP CC[N@@H+]1CC[C@H]([NH2+]Cc2cccc(-c3nccn3C)c2)[C@@H](C)C1 ZINC000369840310 428073795 /nfs/dbraw/zinc/07/37/95/428073795.db2.gz KWNRETHZIYWRBT-YJBOKZPZSA-N 3 0 312.461 2.907 20 0 DFADRP C[NH+](C)CCOC1CCN(c2cc[nH+]c3cc(F)ccc32)CC1 ZINC000356224096 428077478 /nfs/dbraw/zinc/07/74/78/428077478.db2.gz QKWSSMYHPXQUNP-UHFFFAOYSA-N 2 0 317.408 2.921 20 0 DFADRP C[C@H]([NH2+][C@H]1CCN(C2CC[NH+](C)CC2)C1)c1ccc(F)c(F)c1 ZINC000369880448 428081780 /nfs/dbraw/zinc/08/17/80/428081780.db2.gz AWPWHURNWNBNOQ-ZFWWWQNUSA-N 2 0 323.431 2.784 20 0 DFADRP CCC[C@H]([NH2+]C(C)C)C(=O)N[C@@H](C)[C@@H](c1ccccc1)[NH+](C)C ZINC000356248784 428088349 /nfs/dbraw/zinc/08/83/49/428088349.db2.gz FAVNGVCXEYYYKD-SZMVWBNQSA-N 2 0 319.493 2.961 20 0 DFADRP COC1(C[NH2+]Cc2ccc(OCC[NH+](C)C)cc2)CCCC1 ZINC000359969595 428097800 /nfs/dbraw/zinc/09/78/00/428097800.db2.gz IOPCQBMWCRYQAG-UHFFFAOYSA-N 2 0 306.450 2.676 20 0 DFADRP C[C@H](CCCC(F)(F)F)[NH2+][C@@H](C)CCN1CC[NH+](C)CC1 ZINC000359972779 428097994 /nfs/dbraw/zinc/09/79/94/428097994.db2.gz XUZJPVAOXDMPKJ-KGLIPLIRSA-N 2 0 309.420 2.723 20 0 DFADRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+][C@@H](C)CCCC(F)(F)F ZINC000359972780 428098041 /nfs/dbraw/zinc/09/80/41/428098041.db2.gz XUZJPVAOXDMPKJ-UONOGXRCSA-N 2 0 309.420 2.723 20 0 DFADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H](C)[C@@H](c1ccccc1)[NH+](C)C ZINC000356286536 428104732 /nfs/dbraw/zinc/10/47/32/428104732.db2.gz SRJGZAFWISWCBH-JQHSSLGASA-N 2 0 317.477 2.668 20 0 DFADRP C[C@@H]([NH3+])[C@H]1CC[N@H+](CCOc2ccc(C(F)(F)F)cc2)C1 ZINC000351861183 428112895 /nfs/dbraw/zinc/11/28/95/428112895.db2.gz JIQZJLVSXPWYML-NEPJUHHUSA-N 2 0 302.340 2.753 20 0 DFADRP CC(C)[C@@H]1C[C@@H]([NH2+]C2CC[NH+](C[C@@H]3CCOC3)CC2)CS1 ZINC000377388228 428117166 /nfs/dbraw/zinc/11/71/66/428117166.db2.gz XDXFXQCDJCKVMZ-UAGQMJEPSA-N 2 0 312.523 2.607 20 0 DFADRP CC[C@H](c1ccccc1OC)N(C)C[C@H](O)C[N@H+](C)C1CC1 ZINC000351967403 428118027 /nfs/dbraw/zinc/11/80/27/428118027.db2.gz LIEGNXWVCIIDIB-NVXWUHKLSA-N 2 0 306.450 2.533 20 0 DFADRP CC(C)[C@@H]1C[C@H]([NH2+]C2CC[NH+](C[C@@H]3CCOC3)CC2)CS1 ZINC000377388229 428118512 /nfs/dbraw/zinc/11/85/12/428118512.db2.gz XDXFXQCDJCKVMZ-XIRDDKMYSA-N 2 0 312.523 2.607 20 0 DFADRP CC1CCN(C(=[NH2+])NCC(C)(C)[NH+]2C[C@@H](C)C[C@H](C)C2)CC1 ZINC000341609053 428128535 /nfs/dbraw/zinc/12/85/35/428128535.db2.gz CROMOLONTFTRBK-HOTGVXAUSA-N 2 0 308.514 2.999 20 0 DFADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CC[NH+](C2CCC(C)CC2)CC1 ZINC000360027286 428122227 /nfs/dbraw/zinc/12/22/27/428122227.db2.gz HDMWQPFZTDEJSS-DAWZGUTISA-N 2 0 321.509 2.584 20 0 DFADRP CC[N@@H+]1CC[C@H](N(C)C(=O)[C@H](C)[NH+]2[C@H](C)CC[C@H]2C)C[C@H]1C ZINC000413498446 428063497 /nfs/dbraw/zinc/06/34/97/428063497.db2.gz MQSHEVLJXJAPET-MTSZKFMLSA-N 2 0 309.498 2.579 20 0 DFADRP COCC1(C)CC[NH+](Cc2cn(-c3cc[nH+]cc3)nc2C)CC1 ZINC000346360966 428140005 /nfs/dbraw/zinc/14/00/05/428140005.db2.gz UAPOFWRKQCJZMU-UHFFFAOYSA-N 2 0 314.433 2.824 20 0 DFADRP COC(=O)c1ccc(C[N@H+](CCC[NH3+])CC2CCCC2)cc1 ZINC000352540390 428143013 /nfs/dbraw/zinc/14/30/13/428143013.db2.gz KOLLHXQHQXFYKF-UHFFFAOYSA-N 2 0 304.434 2.814 20 0 DFADRP CC(C)CCNC(=[NH2+])NC[C@H]1CC[N@H+](C)[C@H]1c1cccs1 ZINC000370160094 428146376 /nfs/dbraw/zinc/14/63/76/428146376.db2.gz FODIYWQVMLDTER-UKRRQHHQSA-N 2 0 308.495 2.901 20 0 DFADRP CC[C@H]([NH2+]CCCCN1CC[NH+](CC)CC1)c1ccc(F)cn1 ZINC000352553686 428146714 /nfs/dbraw/zinc/14/67/14/428146714.db2.gz DBVAODIUWHJSOA-KRWDZBQOSA-N 2 0 322.472 2.679 20 0 DFADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)C[C@H]1CCC[C@H]1C ZINC000346424612 428167491 /nfs/dbraw/zinc/16/74/91/428167491.db2.gz DLQHUPQAPSZNEY-KZNAEPCWSA-N 2 0 323.525 2.687 20 0 DFADRP CCc1nc(C)cc(NC[C@H](C)[N@@H+]2CCc3sccc3C2)n1 ZINC000341740747 428176480 /nfs/dbraw/zinc/17/64/80/428176480.db2.gz HKPGKNKSCANTTH-ZDUSSCGKSA-N 2 0 316.474 3.268 20 0 DFADRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H]2CCCSC2)[C@@H](C)C1 ZINC000352633520 428176719 /nfs/dbraw/zinc/17/67/19/428176719.db2.gz OXYWOUFXTWPSHG-JYJNAYRXSA-N 2 0 300.512 2.609 20 0 DFADRP COc1ccc(C[C@H](C)[NH2+]CC[C@H](C)[NH+]2CCCCC2)cn1 ZINC000414124920 428211674 /nfs/dbraw/zinc/21/16/74/428211674.db2.gz CKLYCCNTVAMJQM-HOTGVXAUSA-N 2 0 305.466 2.875 20 0 DFADRP COc1ccc([C@H](C)[NH2+]CCCC[N@@H+]2CCC[C@@H]2CO)c(C)c1 ZINC000414127347 428213608 /nfs/dbraw/zinc/21/36/08/428213608.db2.gz SCWMQJJAENVVEK-DLBZAZTESA-N 2 0 320.477 2.891 20 0 DFADRP C[N@@H+]1CCC[C@H](CC[NH2+][C@@H](c2ccccc2)c2ccncn2)C1 ZINC000414169062 428223009 /nfs/dbraw/zinc/22/30/09/428223009.db2.gz AWVHEDMXIYPDHJ-APWZRJJASA-N 2 0 310.445 2.888 20 0 DFADRP C[C@@H](CCC1CC1)[NH2+]CC1CC[NH+](CC(=O)NC(C)(C)C)CC1 ZINC000346568575 428223299 /nfs/dbraw/zinc/22/32/99/428223299.db2.gz OQSOTDHVLOIUMM-HNNXBMFYSA-N 2 0 323.525 2.781 20 0 DFADRP C[N@@H+]1CCC[C@@H](CC[NH2+][C@@H](c2ccccc2)c2cncnc2)C1 ZINC000414174238 428224967 /nfs/dbraw/zinc/22/49/67/428224967.db2.gz GMDKDHQLLYCEKL-LPHOPBHVSA-N 2 0 310.445 2.888 20 0 DFADRP C[C@H]([NH2+]CC[C@@H]1CCC[N@H+](C)C1)c1ccc(C(=O)N(C)C)cc1 ZINC000414180670 428227522 /nfs/dbraw/zinc/22/75/22/428227522.db2.gz LQSRKRPAJMBMNA-HOTGVXAUSA-N 2 0 317.477 2.771 20 0 DFADRP C[N@@H+]1CCC[C@H](CC[NH2+][C@@H]2CCC(=O)Nc3ccc(F)cc32)C1 ZINC000414203566 428232372 /nfs/dbraw/zinc/23/23/72/428232372.db2.gz ZMAHWBZBQSELPU-CZUORRHYSA-N 2 0 319.424 2.921 20 0 DFADRP CCc1cccc(C[N@@H+]2CCN(C3CC[NH+](C)CC3)[C@@H](C)C2)c1 ZINC000346609898 428238345 /nfs/dbraw/zinc/23/83/45/428238345.db2.gz KKGDZSUUMPDXDN-KRWDZBQOSA-N 2 0 315.505 2.849 20 0 DFADRP C[N@@H+](Cc1nc(-c2ccccc2)no1)C[C@@H]1CCn2ccnc2C1 ZINC000377687571 428194787 /nfs/dbraw/zinc/19/47/87/428194787.db2.gz UZHOABMLQCHXKD-CQSZACIVSA-N 2 0 323.400 2.628 20 0 DFADRP COc1ccc(C[C@@H](C)[NH2+]C2CC(C)(C)[NH2+]C(C)(C)C2)cn1 ZINC000414065030 428195205 /nfs/dbraw/zinc/19/52/05/428195205.db2.gz ODQZHYDQWJJXHD-CYBMUJFWSA-N 2 0 305.466 2.920 20 0 DFADRP CC[C@H]([NH2+]CCCN1CCN(c2cc[nH+]cc2)CC1)[C@H]1C[C@H]1C ZINC000414065829 428195770 /nfs/dbraw/zinc/19/57/70/428195770.db2.gz GMIIHMGEIKJIEN-NEWSRXKRSA-N 2 0 316.493 2.618 20 0 DFADRP C[C@@H]1CCCC[C@H]1C[N@@H+]1CCCC[C@H](N2CCN(C)CC2)C1 ZINC000377698811 428199742 /nfs/dbraw/zinc/19/97/42/428199742.db2.gz MQCQFEINJZJHLV-QYZOEREBSA-N 2 0 307.526 2.915 20 0 DFADRP Cn1cncc1C[NH+]1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000370653837 428264906 /nfs/dbraw/zinc/26/49/06/428264906.db2.gz ZYMVFRXSJHJQRQ-UHFFFAOYSA-N 3 0 324.472 2.908 20 0 DFADRP CO[C@H](C[NH2+][C@@H]1CC[N@H+](C[C@H]2CCCO2)C[C@H]1C)C(C)(C)C ZINC000370659438 428265057 /nfs/dbraw/zinc/26/50/57/428265057.db2.gz COUWAKITCQAUGU-QBPKDAKJSA-N 2 0 312.498 2.527 20 0 DFADRP C[C@H]1C[C@H](C[NH3+])CN1CC(C)(C)C[N@H+](C)Cc1ccccc1 ZINC000346668528 428265708 /nfs/dbraw/zinc/26/57/08/428265708.db2.gz IUEFNZCKCYHOLQ-FUHWJXTLSA-N 2 0 303.494 2.814 20 0 DFADRP CC[C@@H](C(=O)N1CCC[N@@H+](C2CCCC2)CC1)[NH+](CC)CC ZINC000346670046 428266386 /nfs/dbraw/zinc/26/63/86/428266386.db2.gz SALNGTWVLMKFAM-KRWDZBQOSA-N 2 0 309.498 2.584 20 0 DFADRP C[C@@H](CC1CC1)[NH2+]CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000370662082 428267824 /nfs/dbraw/zinc/26/78/24/428267824.db2.gz IRHUIBMXNKPDDQ-INIZCTEOSA-N 2 0 307.526 2.961 20 0 DFADRP O=C(N[C@H]1CCC[N@@H+](C2CCCCC2)C1)C12CCC[NH+]1CCC2 ZINC000377947368 428269299 /nfs/dbraw/zinc/26/92/99/428269299.db2.gz FSMSGAKLQQEVBM-INIZCTEOSA-N 2 0 319.493 2.528 20 0 DFADRP O=C(NC1CC[NH+](C2CCCCC2)CC1)C12CCC[NH+]1CCC2 ZINC000370684037 428272786 /nfs/dbraw/zinc/27/27/86/428272786.db2.gz XPSFZTVVZPJBFS-UHFFFAOYSA-N 2 0 319.493 2.528 20 0 DFADRP Cc1nn(Cc2ccccc2)c(C)c1C[N@H+]1C[C@H](C[NH3+])C[C@H]1C ZINC000346690195 428274278 /nfs/dbraw/zinc/27/42/78/428274278.db2.gz STVRSLHEIZACFA-KDOFPFPSSA-N 2 0 312.461 2.717 20 0 DFADRP Cc1[nH+]ccc(N(C)CC2CC[NH+](C[C@H](C)O)CC2)c1Cl ZINC000352848819 428278716 /nfs/dbraw/zinc/27/87/16/428278716.db2.gz LTWRPSSDYYLGRE-LBPRGKRZSA-N 2 0 311.857 2.572 20 0 DFADRP CCc1ncc(CN(C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)cn1 ZINC000414389716 428281776 /nfs/dbraw/zinc/28/17/76/428281776.db2.gz SIGWXWFLGYNUMU-SFHVURJKSA-N 2 0 324.472 2.993 20 0 DFADRP CCc1ccc(C[NH+]2CCC(CC[NH+]3CCOCC3)CC2)o1 ZINC000352889563 428298835 /nfs/dbraw/zinc/29/88/35/428298835.db2.gz UFOHOJYXHLLXEB-UHFFFAOYSA-N 2 0 306.450 2.776 20 0 DFADRP CC[NH+](CC)Cc1ccc(C(=O)N[C@@H](C)C[N@H+](C)C(C)C)cc1 ZINC000356745306 428292998 /nfs/dbraw/zinc/29/29/98/428292998.db2.gz PWWMMDPWXCVZSG-INIZCTEOSA-N 2 0 319.493 2.987 20 0 DFADRP CC(C)N(C)c1ccc(CN2CCC[C@H]3C[N@H+](C)CC[C@@H]32)cn1 ZINC000377838600 428241688 /nfs/dbraw/zinc/24/16/88/428241688.db2.gz AJVYETARZCYTMA-ROUUACIJSA-N 2 0 316.493 2.842 20 0 DFADRP C[N@@H+]1CC[C@H]([NH2+]CCOc2ccc(Cl)cn2)[C@@H]2CCC[C@@H]21 ZINC000370583276 428245482 /nfs/dbraw/zinc/24/54/82/428245482.db2.gz IVRFQTHUKAYLHF-KKUMJFAQSA-N 2 0 309.841 2.576 20 0 DFADRP Cc1csc2c1C[N@H+](CCCN1CC[NH+](C(C)C)CC1)CC2 ZINC000370583583 428245672 /nfs/dbraw/zinc/24/56/72/428245672.db2.gz KOTKGAGIQIGNAC-UHFFFAOYSA-N 2 0 321.534 2.831 20 0 DFADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]C[C@@H]2C[C@H](C)O[C@@H]2C)[C@H](C)C1 ZINC000414261506 428246114 /nfs/dbraw/zinc/24/61/14/428246114.db2.gz GZBQNWKTTPWNTJ-WKULXVSPSA-N 2 0 312.498 2.527 20 0 DFADRP C[NH2+]CCC1CC[NH+](Cc2cc(OC)cc3c2O[C@H](C)C3)CC1 ZINC000346628109 428246231 /nfs/dbraw/zinc/24/62/31/428246231.db2.gz ANKXXVBTNZDBLQ-CQSZACIVSA-N 2 0 318.461 2.840 20 0 DFADRP C[NH2+]CCC1CC[NH+](Cc2cnn(-c3ccc(F)cc3)c2)CC1 ZINC000346635484 428249836 /nfs/dbraw/zinc/24/98/36/428249836.db2.gz HEVWNLWFTOBLHT-UHFFFAOYSA-N 2 0 316.424 2.833 20 0 DFADRP CCCCOCCC[NH2+][C@@H]1CC[N@H+](C[C@H]2CCCO2)C[C@@H]1C ZINC000370612698 428251522 /nfs/dbraw/zinc/25/15/22/428251522.db2.gz PVTNCUBCMZZVLK-RCCFBDPRSA-N 2 0 312.498 2.672 20 0 DFADRP CCCCOCCC[NH2+][C@@H]1CC[N@H+](C[C@@H]2CCCO2)C[C@H]1C ZINC000370612696 428251781 /nfs/dbraw/zinc/25/17/81/428251781.db2.gz PVTNCUBCMZZVLK-FGTMMUONSA-N 2 0 312.498 2.672 20 0 DFADRP Cn1ccnc1[C@@H]1CCN(Cc2cnc(C(F)(F)F)s2)C1 ZINC000377889735 428255000 /nfs/dbraw/zinc/25/50/00/428255000.db2.gz QEVYYKINRNOYSC-SECBINFHSA-N 2 0 316.352 2.885 20 0 DFADRP C[NH+]1CCC([C@H]2CC[N@H+](Cc3cnn(C(C)(C)C)c3)C2)CC1 ZINC000377886768 428256793 /nfs/dbraw/zinc/25/67/93/428256793.db2.gz AWACWJUCOMFXDW-KRWDZBQOSA-N 2 0 304.482 2.802 20 0 DFADRP C[NH2+]CCC1CC[NH+](Cc2cn(C)nc2-c2ccccc2)CC1 ZINC000346648920 428256890 /nfs/dbraw/zinc/25/68/90/428256890.db2.gz BSDHCLJIFOFOKB-UHFFFAOYSA-N 2 0 312.461 2.909 20 0 DFADRP Cc1ccccc1C[NH+]1CCN(CC[C@H]2CCCC[N@H+]2C)CC1 ZINC000356809031 428314841 /nfs/dbraw/zinc/31/48/41/428314841.db2.gz AHADXRFUZIFFKJ-HXUWFJFHSA-N 2 0 315.505 2.987 20 0 DFADRP C[C@@H](C(=O)N1CCC([N@@H+]2CCC[C@H]2C)CC1)[NH+]1[C@@H](C)CC[C@@H]1C ZINC000370909755 428317069 /nfs/dbraw/zinc/31/70/69/428317069.db2.gz VKOFDANSSPGWMW-QZWWFDLISA-N 2 0 321.509 2.723 20 0 DFADRP c1cc2c(c([C@H]3CCC[N@H+]3C[C@H]3CCC[NH2+]C3)c1)OCCO2 ZINC000346825095 428330761 /nfs/dbraw/zinc/33/07/61/428330761.db2.gz ANVQMNUYKQVDNU-GOEBONIOSA-N 2 0 302.418 2.594 20 0 DFADRP [NH3+][C@@H]1CC[C@@H]2C[N@H+](Cc3c[nH]nc3-c3ccc(Cl)cc3)C[C@H]12 ZINC000346827549 428333534 /nfs/dbraw/zinc/33/35/34/428333534.db2.gz SOAKCJRQDCHAEZ-UHOFOFEASA-N 2 0 316.836 2.899 20 0 DFADRP CC[N@@H+]1CCC[C@H](C[NH2+]C2CCN(CCC(F)(F)F)CC2)C1 ZINC000356842555 428333741 /nfs/dbraw/zinc/33/37/41/428333741.db2.gz KUFOUFTUJZEEQU-CQSZACIVSA-N 2 0 321.431 2.725 20 0 DFADRP [NH3+][C@@H]1CC[C@H]2C[N@H+](Cc3c[nH]nc3-c3ccc(Cl)cc3)C[C@H]12 ZINC000346827552 428335639 /nfs/dbraw/zinc/33/56/39/428335639.db2.gz SOAKCJRQDCHAEZ-VBNZEHGJSA-N 2 0 316.836 2.899 20 0 DFADRP Cc1ccc(-c2n[nH]cc2C[N@@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)cc1 ZINC000346826746 428335740 /nfs/dbraw/zinc/33/57/40/428335740.db2.gz MNIFVNMOTYQVDD-SZMVWBNQSA-N 2 0 310.445 2.944 20 0 DFADRP CCOCc1cc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)ccc1OC ZINC000346844749 428341311 /nfs/dbraw/zinc/34/13/11/428341311.db2.gz JWHIPOSZAJCDDH-SZMVWBNQSA-N 2 0 318.461 2.791 20 0 DFADRP O=C(CC[N@@H+]1CC[C@@]2(CC[NH2+]C2)C1)Nc1cccc2ccccc21 ZINC000360550272 428345133 /nfs/dbraw/zinc/34/51/33/428345133.db2.gz IIBHJSNCDFMMEG-HXUWFJFHSA-N 2 0 323.440 2.854 20 0 DFADRP Cc1nn(-c2ccccc2)cc1C[N@@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000346851269 428345270 /nfs/dbraw/zinc/34/52/70/428345270.db2.gz VOUWFJUJISYCOX-KFKAGJAMSA-N 2 0 310.445 2.740 20 0 DFADRP CC(C)CSCCC[N@@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@H]21 ZINC000378248766 428345320 /nfs/dbraw/zinc/34/53/20/428345320.db2.gz ZXGRQFAXQHESDA-GVDBMIGSSA-N 2 0 314.539 2.949 20 0 DFADRP CCCOc1ccc(CN2CC[C@H]3C[NH2+]C[C@@H]3C2)cc1OC ZINC000357104503 428390265 /nfs/dbraw/zinc/39/02/65/428390265.db2.gz LDRTYEDBKVEKHW-JKSUJKDBSA-N 2 0 304.434 2.525 20 0 DFADRP CC[C@@H]1CN(c2ccccc2)CC[N@@H+]1C[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000414745696 428392225 /nfs/dbraw/zinc/39/22/25/428392225.db2.gz RCXDJOFSXRPYBJ-RCCFBDPRSA-N 2 0 301.478 2.975 20 0 DFADRP COc1cc(C[N@H+](C[C@H]2CC[NH2+][C@H](C)C2)C2CC2)ccc1O ZINC000414747716 428393554 /nfs/dbraw/zinc/39/35/54/428393554.db2.gz MXPPKNLJXLTRMT-HIFRSBDPSA-N 2 0 304.434 2.753 20 0 DFADRP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@@H+]2CCc1ccccc1F ZINC000346984131 428395319 /nfs/dbraw/zinc/39/53/19/428395319.db2.gz OPRAJFRTXBZYMY-KBAYOESNSA-N 2 0 306.425 2.552 20 0 DFADRP COc1ccc(C[NH2+][C@@H]2CCCC[C@H]2C[NH3+])cc1OC(F)F ZINC000414792353 428414071 /nfs/dbraw/zinc/41/40/71/428414071.db2.gz CDLFNHXXYJXLEO-QWHCGFSZSA-N 2 0 314.376 2.904 20 0 DFADRP c1nn(-c2ccccc2)cc1C[N@@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000414774041 428400683 /nfs/dbraw/zinc/40/06/83/428400683.db2.gz FCWZPWGANTXAHT-QZTJIDSGSA-N 2 0 310.445 2.694 20 0 DFADRP C[C@H]1C[N@H+](C)CC[C@H]1[NH2+]CC1CC[NH+](Cc2cccs2)CC1 ZINC000360690264 428401401 /nfs/dbraw/zinc/40/14/01/428401401.db2.gz MVWRECGOQNZWQC-MAUKXSAKSA-N 2 0 321.534 2.890 20 0 DFADRP CCOc1ccc(C[N@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)cc1OCC ZINC000414774685 428401829 /nfs/dbraw/zinc/40/18/29/428401829.db2.gz YVQLHAYDRWDESC-CALCHBBNSA-N 2 0 318.461 2.915 20 0 DFADRP [NH3+]C[C@@H]1C[N@H+](Cc2coc3ccccc23)CC12CCOCC2 ZINC000414772868 428402082 /nfs/dbraw/zinc/40/20/82/428402082.db2.gz CQZGONHLCUEEIJ-OAHLLOKOSA-N 2 0 300.402 2.620 20 0 DFADRP C[NH2+]CC1CC[NH+](Cc2cnc(-c3ccccn3)s2)CC1 ZINC000347003435 428403271 /nfs/dbraw/zinc/40/32/71/428403271.db2.gz LJRCXQRGGQQCJO-UHFFFAOYSA-N 2 0 302.447 2.637 20 0 DFADRP C[NH2+]CC1CC[NH+](Cc2c[nH]nc2-c2ccccc2F)CC1 ZINC000347003434 428403460 /nfs/dbraw/zinc/40/34/60/428403460.db2.gz LJKDXKKGSBTTQW-UHFFFAOYSA-N 2 0 302.397 2.647 20 0 DFADRP COCCOc1ccccc1C[N@@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000414779820 428404675 /nfs/dbraw/zinc/40/46/75/428404675.db2.gz KOIZDXCLRPKBBH-SJORKVTESA-N 2 0 318.461 2.533 20 0 DFADRP COc1ccc(C[C@H](C)CN2CC[NH2+]C[C@@](C)(F)C2)cc1F ZINC000414780335 428404721 /nfs/dbraw/zinc/40/47/21/428404721.db2.gz SUYFDRJHVKNEIV-SUMWQHHRSA-N 2 0 312.404 2.646 20 0 DFADRP [NH3+][C@@H]1CCO[C@H]1C1CC[NH+](Cc2cc3cc(F)ccc3o2)CC1 ZINC000414776922 428404883 /nfs/dbraw/zinc/40/48/83/428404883.db2.gz DXSFNWQLJALTED-AEFFLSMTSA-N 2 0 318.392 2.900 20 0 DFADRP COCCOc1ccccc1C[N@@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000414779614 428404919 /nfs/dbraw/zinc/40/49/19/428404919.db2.gz KOIZDXCLRPKBBH-DLBZAZTESA-N 2 0 318.461 2.533 20 0 DFADRP C[NH2+]CC1CC[NH+](Cc2cc(OC)c(OC)cc2SC)CC1 ZINC000347004071 428405268 /nfs/dbraw/zinc/40/52/68/428405268.db2.gz NHOYWMFNTORIJM-UHFFFAOYSA-N 2 0 324.490 2.857 20 0 DFADRP CCOc1cc(C[N@@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)ccc1OC ZINC000414783266 428406424 /nfs/dbraw/zinc/40/64/24/428406424.db2.gz PSHVSCSLGGGFEL-SJORKVTESA-N 2 0 318.461 2.915 20 0 DFADRP c1cc(C[N@@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)n(-c2ccccc2)n1 ZINC000414783142 428407697 /nfs/dbraw/zinc/40/76/97/428407697.db2.gz PKCWOJIVEWNVJM-DLBZAZTESA-N 2 0 310.445 2.694 20 0 DFADRP c1cc(CCC[N@@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)cc2c1OCC2 ZINC000414787654 428409217 /nfs/dbraw/zinc/40/92/17/428409217.db2.gz VSAJTOPWCNABCU-RTBURBONSA-N 2 0 314.473 2.876 20 0 DFADRP FC(F)(F)c1cccnc1C[N@@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000414786826 428409434 /nfs/dbraw/zinc/40/94/34/428409434.db2.gz UYJSNZVJAACAOH-CHWSQXEVSA-N 2 0 313.367 2.922 20 0 DFADRP FC(F)(F)c1cccnc1C[N@@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000414786829 428409642 /nfs/dbraw/zinc/40/96/42/428409642.db2.gz UYJSNZVJAACAOH-STQMWFEESA-N 2 0 313.367 2.922 20 0 DFADRP Brc1cncc(C[N@@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)c1 ZINC000414786644 428410371 /nfs/dbraw/zinc/41/03/71/428410371.db2.gz UQUJKGTWFWEKNA-KGLIPLIRSA-N 2 0 324.266 2.666 20 0 DFADRP [NH3+]C[C@H]1CCCC[C@H]1[NH2+]Cc1cnn(Cc2ccc(F)cc2)c1 ZINC000414794880 428411956 /nfs/dbraw/zinc/41/19/56/428411956.db2.gz GBBPJTIKFBOYBD-SJLPKXTDSA-N 2 0 316.424 2.678 20 0 DFADRP CC1CC[NH+](CCN2CC[C@H]([N@H+](C)Cc3ccccc3)C2)CC1 ZINC000372038756 428412646 /nfs/dbraw/zinc/41/26/46/428412646.db2.gz YJPDQMSOXVHBSW-FQEVSTJZSA-N 2 0 315.505 2.925 20 0 DFADRP C[C@H](CC(=O)Nc1cccc(F)c1)[NH2+][C@@H]1CCCC[C@@H]1C[NH3+] ZINC000414790847 428412843 /nfs/dbraw/zinc/41/28/43/428412843.db2.gz ALJZCJOGHUNDBC-XJKCOSOUSA-N 2 0 307.413 2.650 20 0 DFADRP CC(C)[N@@H+]1CCc2nc(CN[C@H]3CCCC[C@H]3C[NH3+])sc2C1 ZINC000414793120 428412938 /nfs/dbraw/zinc/41/29/38/428412938.db2.gz DECBZDJPMIEBNQ-KBPBESRZSA-N 2 0 322.522 2.517 20 0 DFADRP CC[NH+]1CCN(c2ccccc2C[NH2+][C@H]2C[C@@H]2C(F)F)CC1 ZINC000342224672 428357991 /nfs/dbraw/zinc/35/79/91/428357991.db2.gz JBHBXWYJZNPRRC-GJZGRUSLSA-N 2 0 309.404 2.572 20 0 DFADRP CCc1cccnc1[C@H](C)[NH2+]C[C@H](C)CN1CC[NH+](CC)CC1 ZINC000356908431 428358265 /nfs/dbraw/zinc/35/82/65/428358265.db2.gz XPGHKGGPJJSYDY-IRXDYDNUSA-N 2 0 318.509 2.568 20 0 DFADRP C[C@@H]([NH2+]CC[C@@H]1CCOC1)c1ccc(OCC[NH+](C)C)cc1 ZINC000346893658 428361007 /nfs/dbraw/zinc/36/10/07/428361007.db2.gz YBIDQMHFULIQHM-HZPDHXFCSA-N 2 0 306.450 2.704 20 0 DFADRP CO[C@H]1CCN(Cc2ccc(C(F)(F)F)c(C)c2)[C@@H](C[NH3+])C1 ZINC000414655625 428365637 /nfs/dbraw/zinc/36/56/37/428365637.db2.gz DMFIUJFMTVNZQB-KGLIPLIRSA-N 2 0 316.367 2.952 20 0 DFADRP C[C@H]1C[C@@H]([NH2+]C[C@H]2CCOC[C@H]2C)CN1Cc1ccccc1 ZINC000353049457 428368963 /nfs/dbraw/zinc/36/89/63/428368963.db2.gz SSMKYDDRUMKXJH-UKBAYJJMSA-N 2 0 302.462 2.912 20 0 DFADRP CC[N@H+](C[C@@H]1CC[NH2+][C@@H](C)C1)C[C@@H]1COc2ccccc2O1 ZINC000414672230 428369424 /nfs/dbraw/zinc/36/94/24/428369424.db2.gz AMPVJKJYZXCZOO-ARFHVFGLSA-N 2 0 304.434 2.536 20 0 DFADRP CC1(C)Cc2cc(C[N@@H+]3C[C@@H]4CCC[C@@H]([NH3+])[C@@H]4C3)ccc2O1 ZINC000414676042 428372704 /nfs/dbraw/zinc/37/27/04/428372704.db2.gz UQTZPWBAXMFDSM-USXIJHARSA-N 2 0 300.446 2.959 20 0 DFADRP CC1(C)Cc2cc(C[N@@H+]3C[C@@H]4CCC[C@H]([NH3+])[C@H]4C3)ccc2O1 ZINC000414676047 428372762 /nfs/dbraw/zinc/37/27/62/428372762.db2.gz UQTZPWBAXMFDSM-XIRDDKMYSA-N 2 0 300.446 2.959 20 0 DFADRP c1nc([C@H]2CCCO2)sc1C[NH+]1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000357050435 428373708 /nfs/dbraw/zinc/37/37/08/428373708.db2.gz MLRFLYINTIDKAC-GOEBONIOSA-N 2 0 321.490 2.816 20 0 DFADRP COCC[N@H+](CCOc1ccc(F)cc1)C[C@H]1CC[NH2+][C@H](C)C1 ZINC000414688775 428375280 /nfs/dbraw/zinc/37/52/80/428375280.db2.gz DYBSMIJLLYDDIP-CVEARBPZSA-N 2 0 324.440 2.541 20 0 DFADRP CC[N@H+](C[C@@H]1CC[NH2+][C@@H](C)C1)[C@@H]1CCN(c2ccccc2)C1=O ZINC000414693871 428379276 /nfs/dbraw/zinc/37/92/76/428379276.db2.gz MMJGRZXZBAABAW-LZLYRXPVSA-N 2 0 315.461 2.502 20 0 DFADRP Cc1ccc(C[N@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@@H]32)cc1C ZINC000378368248 428381285 /nfs/dbraw/zinc/38/12/85/428381285.db2.gz GHEZQEWTWCPZGN-GBESFXJTSA-N 2 0 302.462 2.987 20 0 DFADRP COc1cccc(NC2CC[NH+](C[C@H]3CC[NH2+][C@H](C)C3)CC2)c1 ZINC000414708321 428381776 /nfs/dbraw/zinc/38/17/76/428381776.db2.gz ZSVXFODUWCDFKU-CVEARBPZSA-N 2 0 317.477 2.960 20 0 DFADRP CC(C)Oc1ccccc1C[N@@H+]1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000414792805 428413728 /nfs/dbraw/zinc/41/37/28/428413728.db2.gz SMNVGRKUBCMULZ-QGZVFWFLSA-N 2 0 318.461 2.661 20 0 DFADRP CC[N@@H+](CC(=O)Nc1c(C)cccc1C)C[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000414713054 428383958 /nfs/dbraw/zinc/38/39/58/428383958.db2.gz UVGUAIDDQQVXAU-DLBZAZTESA-N 2 0 317.477 2.952 20 0 DFADRP CC(C)[N@@H+]1CCc2nc(CN[C@H]3CCCC[C@@H]3C[NH3+])sc2C1 ZINC000414793121 428413780 /nfs/dbraw/zinc/41/37/80/428413780.db2.gz DECBZDJPMIEBNQ-KGLIPLIRSA-N 2 0 322.522 2.517 20 0 DFADRP CC[NH+](CC)CCO[C@@H]1CC[N@H+](CCCC2CCOCC2)C1 ZINC000346956148 428384667 /nfs/dbraw/zinc/38/46/67/428384667.db2.gz CHGALHMZUMAOAH-GOSISDBHSA-N 2 0 312.498 2.626 20 0 DFADRP Cc1nn(-c2cc[nH+]cc2)cc1CN1CC[NH2+]Cc2ccccc21 ZINC000414846581 428433961 /nfs/dbraw/zinc/43/39/61/428433961.db2.gz NMOREKHCYBVNKZ-UHFFFAOYSA-N 2 0 319.412 2.686 20 0 DFADRP CSC1(C[NH2+]C[C@@H](C)CC2CCOCC2)CC[NH+](C)CC1 ZINC000353215501 428433879 /nfs/dbraw/zinc/43/38/79/428433879.db2.gz FFQVYKUPPBVZQQ-HNNXBMFYSA-N 2 0 314.539 2.856 20 0 DFADRP CCCOc1cc(C[NH2+][C@H](C)[C@H]2CCC[NH2+]C2)ccc1OC ZINC000414845559 428433972 /nfs/dbraw/zinc/43/39/72/428433972.db2.gz DQAVKVJCJGJIGK-ZBFHGGJFSA-N 2 0 306.450 2.962 20 0 DFADRP Clc1cc(C[NH2+]CC[C@@H]2CCC[NH2+]C2)cc2c1OCCO2 ZINC000414857135 428435127 /nfs/dbraw/zinc/43/51/27/428435127.db2.gz ZXAVVLZSPQIGOX-LBPRGKRZSA-N 2 0 310.825 2.591 20 0 DFADRP C[C@@H]([NH3+])C1CC[NH+](Cc2cc(O)ccc2Br)CC1 ZINC000347081316 428436069 /nfs/dbraw/zinc/43/60/69/428436069.db2.gz XWCSOQYYLBTWIC-SNVBAGLBSA-N 2 0 313.239 2.714 20 0 DFADRP [NH3+]C[C@@H](NC1CC[NH+](CCC(F)(F)F)CC1)C1CCCCC1 ZINC000414856350 428436576 /nfs/dbraw/zinc/43/65/76/428436576.db2.gz YPMPXTRSUVRESB-OAHLLOKOSA-N 2 0 321.431 2.900 20 0 DFADRP Clc1ccc(C[NH+]2CCC(N[C@@H]3CCC[NH2+]C3)CC2)cc1 ZINC000414859531 428436674 /nfs/dbraw/zinc/43/66/74/428436674.db2.gz BABIWEFMGCTHHX-QGZVFWFLSA-N 2 0 307.869 2.646 20 0 DFADRP C[C@@H]1CCC[N@H+](Cc2ccc(NC(=O)[C@]3(F)CC[NH2+]C3)cc2)C1 ZINC000372397154 428438013 /nfs/dbraw/zinc/43/80/13/428438013.db2.gz AQFCSSOWMRACEG-KDOFPFPSSA-N 2 0 319.424 2.559 20 0 DFADRP C[C@H]1CCC[N@H+](Cc2ccc(NC(=O)[C@@]3(F)CC[NH2+]C3)cc2)C1 ZINC000372397153 428438387 /nfs/dbraw/zinc/43/83/87/428438387.db2.gz AQFCSSOWMRACEG-KBXCAEBGSA-N 2 0 319.424 2.559 20 0 DFADRP COC1(C[NH2+]CC2(SC)CC[NH+](C)CC2)CCCCC1 ZINC000353230087 428440554 /nfs/dbraw/zinc/44/05/54/428440554.db2.gz RYLUZRNRSYXFIQ-UHFFFAOYSA-N 2 0 300.512 2.753 20 0 DFADRP C[N@H+](Cc1ccc(OCC(F)(F)F)cc1)C1CC[NH2+]CC1 ZINC000347091444 428440660 /nfs/dbraw/zinc/44/06/60/428440660.db2.gz FJPVSVUJCHAQCB-UHFFFAOYSA-N 2 0 302.340 2.812 20 0 DFADRP C[C@H](C[NH3+])C[NH2+]Cc1cn(-c2ccccc2)nc1-c1ccncc1 ZINC000414876284 428441686 /nfs/dbraw/zinc/44/16/86/428441686.db2.gz LCEQDCWQNPVJHR-OAHLLOKOSA-N 2 0 321.428 2.619 20 0 DFADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)[C@H]1CCC[C@H](C)C1 ZINC000357221102 428441840 /nfs/dbraw/zinc/44/18/40/428441840.db2.gz QMJFTFXXQSTSFO-OKZBNKHCSA-N 2 0 323.525 2.687 20 0 DFADRP C[NH2+]CC1CC[NH+](Cc2c[nH]nc2-c2ccc(F)cc2)CC1 ZINC000347094530 428442145 /nfs/dbraw/zinc/44/21/45/428442145.db2.gz HJXABRQHHBUCNN-UHFFFAOYSA-N 2 0 302.397 2.647 20 0 DFADRP C[C@H]([NH3+])C1CC[NH+](Cc2c[nH]nc2-c2ccc(F)cc2)CC1 ZINC000347099991 428444291 /nfs/dbraw/zinc/44/42/91/428444291.db2.gz JYXNQUQLVOCYEU-LBPRGKRZSA-N 2 0 302.397 2.775 20 0 DFADRP Cc1csc(N2CCC([NH2+]CCC[NH+]3CCCCC3)CC2)n1 ZINC000372407079 428444787 /nfs/dbraw/zinc/44/47/87/428444787.db2.gz IQGBOIBBDWPGMN-UHFFFAOYSA-N 2 0 322.522 2.886 20 0 DFADRP CC(C)c1ccc(NC(=O)C[C@H](C)[NH2+]C[C@H]([NH3+])C2CC2)cc1 ZINC000414881398 428445553 /nfs/dbraw/zinc/44/55/53/428445553.db2.gz AIWIEYBRXVGBHN-GUYCJALGSA-N 2 0 303.450 2.854 20 0 DFADRP CC1CC[NH+](CCN2CCC3(C[C@@H]3C[N@H+](C)C3CC3)CC2)CC1 ZINC000372414991 428446544 /nfs/dbraw/zinc/44/65/44/428446544.db2.gz CBKAWDHKATYESY-GOSISDBHSA-N 2 0 319.537 2.915 20 0 DFADRP CC(C)[C@H](O)CC[NH2+][C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000357233893 428447532 /nfs/dbraw/zinc/44/75/32/428447532.db2.gz RTCMSXNABMUYKB-QXAKKESOSA-N 2 0 304.478 2.894 20 0 DFADRP Cc1nn(-c2ccc(F)cc2F)c(C)c1C[NH2+][C@@H](C)CC[NH3+] ZINC000414893015 428447555 /nfs/dbraw/zinc/44/75/55/428447555.db2.gz JZKNOXHLFOFPPJ-JTQLQIEISA-N 2 0 308.376 2.594 20 0 DFADRP C[C@H]([NH2+]CCCN1CCC[N@H+](C)CC1)C1CCC(F)(F)CC1 ZINC000353244355 428448043 /nfs/dbraw/zinc/44/80/43/428448043.db2.gz QEEJCMJVBROZKJ-HNNXBMFYSA-N 2 0 317.468 2.818 20 0 DFADRP CSCC[C@H](CO)[NH2+][C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000357238068 428448440 /nfs/dbraw/zinc/44/84/40/428448440.db2.gz PMSOBBIWVJAYDR-RYQLBKOJSA-N 2 0 322.518 2.601 20 0 DFADRP CCOc1ccc(C[NH2+]C[C@]2(C)CCC[NH2+]C2)cc1OCC ZINC000414896770 428450528 /nfs/dbraw/zinc/45/05/28/428450528.db2.gz CRAPWEOWYLFZSM-GOSISDBHSA-N 2 0 306.450 2.963 20 0 DFADRP Cc1ccc(C[NH2+]C[C@@]2(C)CCC[NH2+]C2)c(-c2ccnn2C)c1 ZINC000414902372 428451740 /nfs/dbraw/zinc/45/17/40/428451740.db2.gz HFRMEKQPKGYTJU-IBGZPJMESA-N 2 0 312.461 2.875 20 0 DFADRP COc1cc(C[NH2+]CC2(C)CC[NH2+]CC2)ccc1OC(C)C ZINC000414905279 428453307 /nfs/dbraw/zinc/45/33/07/428453307.db2.gz NUYUHPGRADJXCH-UHFFFAOYSA-N 2 0 306.450 2.962 20 0 DFADRP Cc1ccc(NC(=O)C[C@H](C)N[C@H]2C[NH2+]CC[C@H]2C)cc1Cl ZINC000414910854 428453757 /nfs/dbraw/zinc/45/37/57/428453757.db2.gz CVWLYIDDRCFKDO-WWGRRREGSA-N 2 0 323.868 2.953 20 0 DFADRP C[C@H]([NH2+]CC(C)(C)N1CC[NH+](C)CC1)[C@H]1CC2CCC1CC2 ZINC000381721944 428455326 /nfs/dbraw/zinc/45/53/26/428455326.db2.gz RRBODBCIFQVVRA-FCCDEINASA-N 2 0 307.526 2.817 20 0 DFADRP Cc1ccc(NC(=O)C[C@H](C)[NH2+]C[C@]2(C)CCC[NH2+]C2)c(C)c1 ZINC000414920517 428456485 /nfs/dbraw/zinc/45/64/85/428456485.db2.gz ZOKXWMXFSKIXNV-QFBILLFUSA-N 2 0 317.477 3.000 20 0 DFADRP c1nc2ccccc2n1-c1ccc(C[NH2+]C[C@H]2CC[NH2+]C2)cc1 ZINC000414916781 428456593 /nfs/dbraw/zinc/45/65/93/428456593.db2.gz QJSQGEJKNANHLM-INIZCTEOSA-N 2 0 306.413 2.725 20 0 DFADRP COCC[C@@H](Cc1cccc(F)c1)[NH2+]C[C@]1(C)CCC[NH2+]C1 ZINC000414920069 428456877 /nfs/dbraw/zinc/45/68/77/428456877.db2.gz YLCKYERDFOGZKZ-ZWKOTPCHSA-N 2 0 308.441 2.753 20 0 DFADRP Cc1ccc(NC(=O)C[C@H](C)[NH2+]C[C@H]2CC[NH2+]C2)cc1Cl ZINC000414916209 428457634 /nfs/dbraw/zinc/45/76/34/428457634.db2.gz PBBSHMQEFPIHHK-STQMWFEESA-N 2 0 309.841 2.565 20 0 DFADRP Cc1nn(-c2ccc(F)cc2)c(C)c1C[N@@H+]1CCC[C@@H](C[NH3+])C1 ZINC000347128091 428458973 /nfs/dbraw/zinc/45/89/73/428458973.db2.gz ZOKDMIVVRAMGFP-HNNXBMFYSA-N 2 0 316.424 2.799 20 0 DFADRP CCOc1c(C[NH+]2CCC([C@@H](C)[NH3+])CC2)c(C)nn1CC(C)C ZINC000347135894 428462729 /nfs/dbraw/zinc/46/27/29/428462729.db2.gz SVLYPSLYVJBYDY-CQSZACIVSA-N 2 0 322.497 2.805 20 0 DFADRP CC[C@H](N[C@H]1CC[N@H+](C)[C@@H](C)C1)c1nnc2n1CCCCC2 ZINC000360850139 428463216 /nfs/dbraw/zinc/46/32/16/428463216.db2.gz BCNFEXHTAWTZIF-KKUMJFAQSA-N 2 0 305.470 2.528 20 0 DFADRP C[C@@H]1C[NH2+]CC[C@H]1[NH2+]C1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000414946123 428464379 /nfs/dbraw/zinc/46/43/79/428464379.db2.gz SPZUXTLLFBJBGR-RDTXWAMCSA-N 2 0 321.896 2.892 20 0 DFADRP C[C@H](CC(=O)Nc1cccc(Cl)c1)N[C@H]1CCC[NH2+][C@@H]1C ZINC000414951941 428469010 /nfs/dbraw/zinc/46/90/10/428469010.db2.gz JUEINKIOWUUXFV-JMSVASOKSA-N 2 0 309.841 2.787 20 0 DFADRP Cc1nn(-c2cccc(F)c2)cc1C[NH2+][C@H]1CCCC[C@H]1C[NH3+] ZINC000414801561 428414968 /nfs/dbraw/zinc/41/49/68/428414968.db2.gz LYLAXTHQBPWEBG-KSSFIOAISA-N 2 0 316.424 2.927 20 0 DFADRP C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)CC2CC[NH+](C)CC2)C1 ZINC000347035412 428415612 /nfs/dbraw/zinc/41/56/12/428415612.db2.gz UQLMSCUSZBQGCE-HZPDHXFCSA-N 2 0 323.525 2.591 20 0 DFADRP COc1cc(C[NH2+][C@H]2CCC[C@@H]2C[NH3+])ccc1OC(F)F ZINC000414801054 428415609 /nfs/dbraw/zinc/41/56/09/428415609.db2.gz SYYLXJBIPDIDMZ-NEPJUHHUSA-N 2 0 300.349 2.514 20 0 DFADRP Cc1nn(-c2ccc(F)cc2)cc1C[NH2+][C@@H]1CCCC[C@@H]1C[NH3+] ZINC000414803241 428416986 /nfs/dbraw/zinc/41/69/86/428416986.db2.gz NJLQXIBZUYYOGH-RDTXWAMCSA-N 2 0 316.424 2.927 20 0 DFADRP CCOc1cc(C[NH2+][C@@H]2CCC[C@@H]2C[NH3+])cc(Cl)c1OC ZINC000414801805 428417282 /nfs/dbraw/zinc/41/72/82/428417282.db2.gz UVKGALCMBWHYGJ-TZMCWYRMSA-N 2 0 312.841 2.964 20 0 DFADRP COCCCOc1cccc(C[N@@H+]2CCC[C@@H]([C@@H](C)[NH3+])C2)c1 ZINC000347036025 428417599 /nfs/dbraw/zinc/41/75/99/428417599.db2.gz DZHXDEULGUTGIH-NVXWUHKLSA-N 2 0 306.450 2.661 20 0 DFADRP [NH3+]C[C@H]1CCCC[C@@H]1[NH2+]Cc1cnc(-c2ccccn2)s1 ZINC000414812166 428418008 /nfs/dbraw/zinc/41/80/08/428418008.db2.gz WZGNFQHRVANNKO-OCCSQVGLSA-N 2 0 302.447 2.812 20 0 DFADRP COc1cc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)ccc1OC(C)C ZINC000414809371 428418033 /nfs/dbraw/zinc/41/80/33/428418033.db2.gz GLKAFMDOGADPOJ-XYPWUTKMSA-N 2 0 304.434 2.855 20 0 DFADRP COc1cc2c(c(C[NH2+][C@@H]3CCCC[C@@H]3C[NH3+])c1)O[C@H](C)C2 ZINC000414810291 428418199 /nfs/dbraw/zinc/41/81/99/428418199.db2.gz VEYHFSXHRFECLH-PBFPGSCMSA-N 2 0 304.434 2.626 20 0 DFADRP COc1cc2c(cc1C[NH2+]Cc1ccc([C@H](C)[NH3+])cc1)OCO2 ZINC000414811934 428418843 /nfs/dbraw/zinc/41/88/43/428418843.db2.gz QGZKONKEBVXBMY-LBPRGKRZSA-N 2 0 314.385 2.733 20 0 DFADRP Cc1cccc(NC(=O)C[C@H](C)[NH2+][C@@H]2CCC[C@H]2C[NH3+])c1C ZINC000414808999 428419047 /nfs/dbraw/zinc/41/90/47/428419047.db2.gz SZYMIXDPALXEKP-JLJPHGGASA-N 2 0 303.450 2.738 20 0 DFADRP C[N@@H+]1CC[C@H](CN[C@@H]2CC[NH+]3CCC[C@H]3C2)[C@@H]1c1ccccc1 ZINC000378523392 428419379 /nfs/dbraw/zinc/41/93/79/428419379.db2.gz ZWBWRNJNVSHWLU-ZRNYENFQSA-N 3 0 313.489 2.896 20 0 DFADRP CCCC[C@H]([NH3+])C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000353181594 428420008 /nfs/dbraw/zinc/42/00/08/428420008.db2.gz HVCBFGWCFIJDNI-NJAFHUGGSA-N 2 0 317.477 2.673 20 0 DFADRP CCOc1c(OC)cc(C[NH2+][C@H]2CCCC[C@@H]2C[NH3+])cc1OC ZINC000414813492 428420942 /nfs/dbraw/zinc/42/09/42/428420942.db2.gz YKHUSXFBSCDWJR-CABCVRRESA-N 2 0 322.449 2.710 20 0 DFADRP [NH3+]C[C@H]1CCCC[C@@H]1NC1CC[NH+](CCc2ccccc2)CC1 ZINC000414815111 428421162 /nfs/dbraw/zinc/42/11/62/428421162.db2.gz ZYGBQWFXBSDRIM-QUCCMNQESA-N 3 0 315.505 2.801 20 0 DFADRP CCCC[C@@H](C[NH3+])NCc1ccc(OC(F)F)c(OC)c1 ZINC000414818370 428421874 /nfs/dbraw/zinc/42/18/74/428421874.db2.gz VKRYUKUETKSFJH-LBPRGKRZSA-N 2 0 302.365 2.904 20 0 DFADRP C[C@H]1CN(CC(C)(C)C[N@H+](C)Cc2ccccc2)CC[C@H]1[NH3+] ZINC000347045683 428422264 /nfs/dbraw/zinc/42/22/64/428422264.db2.gz NXEXPSMBBVBMKO-FUHWJXTLSA-N 2 0 303.494 2.814 20 0 DFADRP C[C@@H]1CN(CC(C)(C)C[N@H+](C)Cc2ccccc2)CC[C@H]1[NH3+] ZINC000347045685 428422337 /nfs/dbraw/zinc/42/23/37/428422337.db2.gz NXEXPSMBBVBMKO-SJLPKXTDSA-N 2 0 303.494 2.814 20 0 DFADRP C[C@H]([NH3+])c1ccc(C[NH2+]C2CCN(C(=O)C(C)(C)C)CC2)cc1 ZINC000414816038 428422841 /nfs/dbraw/zinc/42/28/41/428422841.db2.gz YZJBSRIQIYGRBK-AWEZNQCLSA-N 2 0 317.477 2.833 20 0 DFADRP Cc1ccc(NC(=O)C[C@@H](C)[NH2+]C[C@H]2CCC[NH2+]C2)c(C)c1 ZINC000414821642 428423991 /nfs/dbraw/zinc/42/39/91/428423991.db2.gz BGVXIVLVACMYAY-CVEARBPZSA-N 2 0 303.450 2.610 20 0 DFADRP C[N@H+](C[C@@H](O)Cc1cccc(Cl)c1)C[C@H]1CCC[NH+](C)C1 ZINC000347048028 428424102 /nfs/dbraw/zinc/42/41/02/428424102.db2.gz HRWRFZGNRXRIAQ-RDJZCZTQSA-N 2 0 310.869 2.517 20 0 DFADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC[C@@H]([NH3+])c1ccccc1 ZINC000414826656 428424297 /nfs/dbraw/zinc/42/42/97/428424297.db2.gz FYVRUFKTNYCPHQ-AHRSYUTCSA-N 2 0 309.457 2.797 20 0 DFADRP FC(F)(F)COc1ccccc1C[NH2+]CC[C@@H]1CC[NH2+]C1 ZINC000414826571 428424986 /nfs/dbraw/zinc/42/49/86/428424986.db2.gz FSHJYWQSBRRHGI-LBPRGKRZSA-N 2 0 302.340 2.717 20 0 DFADRP CCCOc1ccc(C[NH2+]CC[C@H]2CC[NH2+]C2)cc1OCC ZINC000414825990 428425032 /nfs/dbraw/zinc/42/50/32/428425032.db2.gz DMFZTFOCTJEUDQ-OAHLLOKOSA-N 2 0 306.450 2.963 20 0 DFADRP C[NH2+]C[C@H](C)C[NH2+][C@@H](C)Cc1ccc(Br)c(F)c1 ZINC000414829877 428426390 /nfs/dbraw/zinc/42/63/90/428426390.db2.gz BOWVPIVVNKDZIA-QWRGUYRKSA-N 2 0 317.246 2.964 20 0 DFADRP C[C@H](CCc1ccc2c(c1)OCO2)[NH2+]CC[C@@H]1CCC[NH2+]C1 ZINC000414831298 428428029 /nfs/dbraw/zinc/42/80/29/428428029.db2.gz CVRIWXZOCDFWSZ-ZBFHGGJFSA-N 2 0 304.434 2.716 20 0 DFADRP Cn1cc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)c(-c2cccs2)n1 ZINC000414841930 428430328 /nfs/dbraw/zinc/43/03/28/428430328.db2.gz ZSAIRAPCIPTDBY-PBWFPOADSA-N 2 0 302.447 2.521 20 0 DFADRP COc1cc(C[NH2+]CC[C@@H]2CCC[NH2+]C2)ccc1OC(C)C ZINC000414852664 428432352 /nfs/dbraw/zinc/43/23/52/428432352.db2.gz QNICGNAOQLXPTR-HNNXBMFYSA-N 2 0 306.450 2.962 20 0 DFADRP CCOc1c(OC)cc(C[NH2+]CC[C@H]2CCC[NH2+]C2)cc1OC ZINC000414852849 428432655 /nfs/dbraw/zinc/43/26/55/428432655.db2.gz QRHVHJQALLNHRR-CQSZACIVSA-N 2 0 322.449 2.582 20 0 DFADRP C[C@H]([NH2+]C[C@@H](O)C[NH+]1CCC(C)CC1)C1CCC(F)(F)CC1 ZINC000353315264 428480398 /nfs/dbraw/zinc/48/03/98/428480398.db2.gz PCOJXASWGSQQAW-GOEBONIOSA-N 2 0 318.452 2.883 20 0 DFADRP COc1ccc(OC(F)F)c(C[NH2+]CCC[C@H]2CCC[NH2+]2)c1 ZINC000414982667 428481102 /nfs/dbraw/zinc/48/11/02/428481102.db2.gz YUGZQSPFLIYYBF-ZDUSSCGKSA-N 2 0 314.376 2.918 20 0 DFADRP CCOc1ccc(C(C)=O)cc1C[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000391888095 428482153 /nfs/dbraw/zinc/48/21/53/428482153.db2.gz YVAXFBIZWUECHP-CALCHBBNSA-N 2 0 316.445 2.719 20 0 DFADRP C[C@@H]1CCC[C@@H]([NH+]2CCC(N[C@@H]3C[NH2+]CCC3(F)F)CC2)C1 ZINC000414991132 428482734 /nfs/dbraw/zinc/48/27/34/428482734.db2.gz AJUAGSUUMYUDCJ-FVQBIDKESA-N 2 0 315.452 2.616 20 0 DFADRP COC(=O)c1ccc(Cl)c(C[NH2+]C[C@@H]2CCC[C@H]([NH3+])C2)c1 ZINC000414999951 428484409 /nfs/dbraw/zinc/48/44/09/428484409.db2.gz JQJIKOBCKZHVHY-RISCZKNCSA-N 2 0 310.825 2.734 20 0 DFADRP COC(=O)c1ccc(Cl)c(C[NH2+]C[C@H]2CCC[C@@H]([NH3+])C2)c1 ZINC000414999953 428485424 /nfs/dbraw/zinc/48/54/24/428485424.db2.gz JQJIKOBCKZHVHY-SMDDNHRTSA-N 2 0 310.825 2.734 20 0 DFADRP Clc1cc(C[NH2+][C@@H]2C[C@H]2C2CC[NH2+]CC2)cc2c1OCCO2 ZINC000415003927 428485545 /nfs/dbraw/zinc/48/55/45/428485545.db2.gz GVOBBSPCNHQTCO-DZGCQCFKSA-N 2 0 322.836 2.589 20 0 DFADRP Cn1cc(-c2ccc(C[NH2+][C@@H]3C[C@H]3C3CC[NH2+]CC3)s2)cn1 ZINC000415003990 428486300 /nfs/dbraw/zinc/48/63/00/428486300.db2.gz GZTXFTFJQMGKGK-JKSUJKDBSA-N 2 0 316.474 2.626 20 0 DFADRP C[C@H](c1ccccc1)N1CC[C@H]([NH2+][C@@H]2C[C@H]2C2CC[NH2+]CC2)C1 ZINC000415000210 428486436 /nfs/dbraw/zinc/48/64/36/428486436.db2.gz AKKYQACYBHLNPY-XFWGSAIBSA-N 3 0 313.489 2.800 20 0 DFADRP C[C@@H]1CN(Cc2ccccc2)C[C@@H]1[NH2+]C[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000415000040 428486453 /nfs/dbraw/zinc/48/64/53/428486453.db2.gz JVDHIEPCDODRSK-OWYHZJEWSA-N 3 0 301.478 2.614 20 0 DFADRP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CC[C@H]([NH3+])c1ccccc1 ZINC000394357288 428488567 /nfs/dbraw/zinc/48/85/67/428488567.db2.gz YIRSGLTVQPZIJL-SQNIBIBYSA-N 2 0 315.461 2.552 20 0 DFADRP CC(C)(CCC[NH3+])[NH2+]Cc1ccc(Oc2cnccn2)cc1 ZINC000415014450 428491068 /nfs/dbraw/zinc/49/10/68/428491068.db2.gz MFPCMBONVMYFMA-UHFFFAOYSA-N 2 0 300.406 2.876 20 0 DFADRP C[C@H](NC1CC[NH+]([C@@H]2CCC[C@@H](C)C2)CC1)c1ncnn1C ZINC000353339431 428492422 /nfs/dbraw/zinc/49/24/22/428492422.db2.gz XDCIRYYWWRIWER-IJEWVQPXSA-N 2 0 305.470 2.509 20 0 DFADRP [NH3+]C[C@@H]1CC[C@@H]([NH2+]Cc2ccc(Br)cc2F)C1 ZINC000415029068 428492842 /nfs/dbraw/zinc/49/28/42/428492842.db2.gz DFMHYOQSEJOUHN-BXKDBHETSA-N 2 0 301.203 2.805 20 0 DFADRP C[C@H](Cc1ccc(C(F)(F)F)cc1)[NH2+]C[C@H]1C[NH2+]CCCO1 ZINC000415029380 428492958 /nfs/dbraw/zinc/49/29/58/428492958.db2.gz AWFKKVRTURFDMR-IUODEOHRSA-N 2 0 316.367 2.605 20 0 DFADRP C[C@H]1C[N@H+](C)CC[C@H]1NCC1([NH+](C)Cc2ccccc2)CCC1 ZINC000395368819 428494708 /nfs/dbraw/zinc/49/47/08/428494708.db2.gz OBZAYSHSELGOCX-PKOBYXMFSA-N 2 0 315.505 2.971 20 0 DFADRP COc1ccc(CC[N@@H+]2C[C@@H]3C[NH+]4CCCC[C@H]4[C@@H]3C2)cc1 ZINC000360927744 428494802 /nfs/dbraw/zinc/49/48/02/428494802.db2.gz PGZIEXDSKOHVNE-QRQLOZEOSA-N 2 0 300.446 2.654 20 0 DFADRP COc1cc(C[N@@H+]2CCCC[C@@H]2[C@H]2CC[NH2+]C2)cc(OC)c1 ZINC000415038721 428495518 /nfs/dbraw/zinc/49/55/18/428495518.db2.gz IGGRIXSSSPJPLR-MAUKXSAKSA-N 2 0 304.434 2.668 20 0 DFADRP COc1cc(C[N@@H+]2CCCC[C@H]2[C@@H]2CC[NH2+]C2)cc(OC)c1 ZINC000415039001 428496295 /nfs/dbraw/zinc/49/62/95/428496295.db2.gz IGGRIXSSSPJPLR-QAPCUYQASA-N 2 0 304.434 2.668 20 0 DFADRP COc1cc(C[NH2+][C@H]2CC[C@H](C[NH3+])C2)ccc1OC(F)F ZINC000415047765 428497000 /nfs/dbraw/zinc/49/70/00/428497000.db2.gz WBQDRKYFUQHJEX-JQWIXIFHSA-N 2 0 300.349 2.514 20 0 DFADRP [NH3+]C[C@@H]1CC[C@@H]([NH2+]Cc2cnn(-c3ccc(Cl)cc3)c2)C1 ZINC000415041876 428498636 /nfs/dbraw/zinc/49/86/36/428498636.db2.gz QGAYSLQNDWYPHP-IUODEOHRSA-N 2 0 304.825 2.743 20 0 DFADRP CC[C@H]([NH2+][C@H](CC(C)C)C(=O)NCC[NH+](C)C)c1ccccc1 ZINC000347217644 428499583 /nfs/dbraw/zinc/49/95/83/428499583.db2.gz AJFKQIFLURLHTI-ZWKOTPCHSA-N 2 0 319.493 2.820 20 0 DFADRP CCc1cccc(C[N@@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@H]32)c1 ZINC000372752710 428500867 /nfs/dbraw/zinc/50/08/67/428500867.db2.gz SRZQTUKCIZQGMV-GUDVDZBRSA-N 2 0 302.462 2.933 20 0 DFADRP CC[C@@H]([NH2+]CCC[N@@H+]1CCCC[C@H]1C)C1(C(=O)OC)CCC1 ZINC000353357621 428501364 /nfs/dbraw/zinc/50/13/64/428501364.db2.gz WJKGRJTUDLZRBE-HZPDHXFCSA-N 2 0 310.482 2.962 20 0 DFADRP c1ccc([C@@H]2C[C@H]2C[NH2+]C2CCC([NH+]3CCNCC3)CC2)cc1 ZINC000415049561 428501547 /nfs/dbraw/zinc/50/15/47/428501547.db2.gz HRSCTYGAFSBUTE-FVELJTHGSA-N 2 0 313.489 2.596 20 0 DFADRP C[C@@H]1[NH2+]CCC[C@H]1NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000396679612 428502302 /nfs/dbraw/zinc/50/23/02/428502302.db2.gz VJZJOCVVAYUGNQ-QFMLELGNSA-N 2 0 313.489 2.912 20 0 DFADRP Cc1ccc(C[N@H+]2CC[C@@H](C)[C@H](C[NH3+])C2)c(-c2ccnn2C)c1 ZINC000415133411 428531411 /nfs/dbraw/zinc/53/14/11/428531411.db2.gz VFLCKXGGIRCFSR-NVXWUHKLSA-N 2 0 312.461 2.812 20 0 DFADRP COc1ccc(C[N@@H+]2CCCC[C@H]2[C@H]2CC[NH2+]C2)cc1OC ZINC000415057037 428505025 /nfs/dbraw/zinc/50/50/25/428505025.db2.gz SYTGHBBOAUABHK-HOTGVXAUSA-N 2 0 304.434 2.668 20 0 DFADRP CCN(C)c1ccc(C[N@@H+]2CCCC[C@H]2[C@H]2CC[NH2+]C2)cn1 ZINC000415056592 428505093 /nfs/dbraw/zinc/50/50/93/428505093.db2.gz SMQAYDRNMHFTMD-IRXDYDNUSA-N 2 0 302.466 2.502 20 0 DFADRP CCN1C[C@H]([NH2+]Cc2ccc(C[NH+](CC)CC)cc2)[C@@H](C)C1 ZINC000343034653 428507732 /nfs/dbraw/zinc/50/77/32/428507732.db2.gz OUTDXVXAGZKRDH-LPHOPBHVSA-N 2 0 303.494 2.958 20 0 DFADRP C[C@H](CC(=O)Nc1cccc(Cl)c1)[NH2+]CCC[NH2+]C1CC1 ZINC000415064174 428508012 /nfs/dbraw/zinc/50/80/12/428508012.db2.gz BUULFUNSLMSACQ-GFCCVEGCSA-N 2 0 309.841 2.789 20 0 DFADRP CCN1C[C@@H](C)[C@H]([NH2+]Cc2ccc(C[NH+](CC)CC)cc2)C1 ZINC000343034655 428508001 /nfs/dbraw/zinc/50/80/01/428508001.db2.gz OUTDXVXAGZKRDH-VQIMIIECSA-N 2 0 303.494 2.958 20 0 DFADRP c1ccc(COc2cccc(C[NH2+]CCC[NH2+]C3CC3)c2)nc1 ZINC000415071328 428508459 /nfs/dbraw/zinc/50/84/59/428508459.db2.gz SNOBTKWBJXAVBJ-UHFFFAOYSA-N 2 0 311.429 2.892 20 0 DFADRP CC[NH+](CC)[C@H](C(=O)N[C@H]1CC[N@H+](C)[C@H](C)C1)c1ccccc1 ZINC000357391152 428511729 /nfs/dbraw/zinc/51/17/29/428511729.db2.gz LNOBPASBDRFTME-NJAFHUGGSA-N 2 0 317.477 2.668 20 0 DFADRP COc1ccccc1N1CCC([NH2+]C[C@@H]2CC[NH2+][C@H](C)C2)CC1 ZINC000415076535 428511824 /nfs/dbraw/zinc/51/18/24/428511824.db2.gz CTOKSSALNAGEFC-HZPDHXFCSA-N 2 0 317.477 2.642 20 0 DFADRP C[C@H](Cc1ccc(F)c(Br)c1)[NH2+]C1CC[NH2+]CC1 ZINC000415076645 428512068 /nfs/dbraw/zinc/51/20/68/428512068.db2.gz DEPRYMKJTMNSCJ-SNVBAGLBSA-N 2 0 315.230 2.861 20 0 DFADRP Cc1ccoc1C[NH2+]CC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000397532139 428512594 /nfs/dbraw/zinc/51/25/94/428512594.db2.gz ZVQBJZROODUIGQ-UHFFFAOYSA-N 2 0 314.429 2.705 20 0 DFADRP C[C@H](C[C@@H]1CCC[NH2+]1)[NH2+]C1CCN([C@H](C)c2ccncc2)CC1 ZINC000415079171 428513145 /nfs/dbraw/zinc/51/31/45/428513145.db2.gz HSASFWCMPXOWOD-MDZRGWNJSA-N 3 0 316.493 2.727 20 0 DFADRP C[C@]1(CN[C@@H]2CCC[C@H]2C[NH3+])CCC[N@@H+]1Cc1ccccc1 ZINC000397981235 428516286 /nfs/dbraw/zinc/51/62/86/428516286.db2.gz GYORKLLJHDOBDB-IPMKNSEASA-N 2 0 301.478 2.758 20 0 DFADRP C[C@H]([NH2+][C@@H]1CCCN(c2ccccc2Cl)C1)[C@H]1CC[NH2+]C1 ZINC000415090812 428516473 /nfs/dbraw/zinc/51/64/73/428516473.db2.gz ZQIJZSGEBUBFDR-SOUVJXGZSA-N 2 0 307.869 2.896 20 0 DFADRP Cc1ccc(C[C@H](CO)[NH2+][C@@H](C)C[C@H]2CCCCC[NH2+]2)cc1 ZINC000415094671 428518063 /nfs/dbraw/zinc/51/80/63/428518063.db2.gz FJNVYOQYFFRUDL-QXAKKESOSA-N 2 0 304.478 2.799 20 0 DFADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC[C@@H]1CCCC[NH2+]1 ZINC000398038576 428518597 /nfs/dbraw/zinc/51/85/97/428518597.db2.gz QXPBLXHUBOQLRB-NZSAHSFTSA-N 2 0 301.478 2.629 20 0 DFADRP COc1ccc(C[NH+]2CCC([C@@H]3OCCC[C@H]3[NH3+])CC2)cc1C ZINC000415130351 428531833 /nfs/dbraw/zinc/53/18/33/428531833.db2.gz QPQUBGPRIOWGGZ-MJGOQNOKSA-N 2 0 318.461 2.722 20 0 DFADRP C[C@@H]1CN(Cc2ccccc2)CC[C@H]1[NH2+]C1CCC([NH3+])CC1 ZINC000398051039 428519408 /nfs/dbraw/zinc/51/94/08/428519408.db2.gz XTFAGKAYQHCSMZ-JYPHPWERSA-N 2 0 301.478 2.757 20 0 DFADRP C[C@@H]([NH2+]C[C@H]1CC[NH2+][C@H](C)C1)c1nc(-c2cccc(F)c2)no1 ZINC000415094034 428519488 /nfs/dbraw/zinc/51/94/88/428519488.db2.gz DEHJXYZLGWMUSP-UPJWGTAASA-N 2 0 318.396 2.914 20 0 DFADRP CC(C)[C@@H](CN(C)Cc1ccccc1)[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000398078307 428519582 /nfs/dbraw/zinc/51/95/82/428519582.db2.gz GDTVCJGKLXLZKT-RTBURBONSA-N 2 0 303.494 2.875 20 0 DFADRP CC(C)[C@H](CN(C)Cc1ccccc1)[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000398078304 428519923 /nfs/dbraw/zinc/51/99/23/428519923.db2.gz GDTVCJGKLXLZKT-MOPGFXCFSA-N 2 0 303.494 2.875 20 0 DFADRP CCOCc1cc(C[N@@H+]2CC[C@@H](C)[C@@H](C[NH3+])C2)ccc1OC ZINC000415103265 428520601 /nfs/dbraw/zinc/52/06/01/428520601.db2.gz CZWYXWBZWXNTJC-PBHICJAKSA-N 2 0 306.450 2.648 20 0 DFADRP C[N@@H+]1CC[C@H]([NH2+]CCOc2ccc(F)c(F)c2)[C@@H]2CCC[C@@H]21 ZINC000353409260 428523435 /nfs/dbraw/zinc/52/34/35/428523435.db2.gz WEVRBGMBFVVXJC-JQFCIGGWSA-N 2 0 310.388 2.806 20 0 DFADRP COCc1cccc(CN2C[C@@H](c3cccc(F)c3)[C@H]([NH3+])C2)c1 ZINC000415120839 428526975 /nfs/dbraw/zinc/52/69/75/428526975.db2.gz HEDSTVVIHQGBKZ-RBUKOAKNSA-N 2 0 314.404 2.899 20 0 DFADRP COc1cc(CN2CC[C@@H](C)[C@@H](C[NH3+])C2)c(SC)cc1OC ZINC000415121967 428527503 /nfs/dbraw/zinc/52/75/03/428527503.db2.gz HWFPWWDPZPPKEU-OCCSQVGLSA-N 2 0 324.490 2.842 20 0 DFADRP Fc1cc(C[N@@H+]2CC3(CC[NH2+]CC3)[C@@H]3COC[C@@H]32)ccc1Cl ZINC000415127572 428529523 /nfs/dbraw/zinc/52/95/23/428529523.db2.gz IRYUEVUMHUBIOH-CJNGLKHVSA-N 2 0 324.827 2.680 20 0 DFADRP C[C@@H]1C[C@@H]([NH2+]Cc2c[nH]nc2-c2c(F)cccc2F)CC[NH2+]1 ZINC000414957193 428471155 /nfs/dbraw/zinc/47/11/55/428471155.db2.gz VWCXGOPVOYXWSJ-PWSUYJOCSA-N 2 0 306.360 2.585 20 0 DFADRP COc1ccc(C[NH2+][C@H]2CC[NH2+]CC2(C)C)cc1OC(F)F ZINC000414960337 428472703 /nfs/dbraw/zinc/47/27/03/428472703.db2.gz AOXXCAIPFVLCRW-AWEZNQCLSA-N 2 0 314.376 2.774 20 0 DFADRP C[C@@H]1C[C@H](NC2CC[NH+](CCc3ccc(F)cc3)CC2)CC[NH2+]1 ZINC000414955104 428473011 /nfs/dbraw/zinc/47/30/11/428473011.db2.gz UAZOILLMQWZPKZ-DNVCBOLYSA-N 2 0 319.468 2.563 20 0 DFADRP C[C@H]1[NH2+]CCC[C@@H]1NC1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000414955261 428473242 /nfs/dbraw/zinc/47/32/42/428473242.db2.gz ODLRCEIKJYEYNE-BEFAXECRSA-N 2 0 319.468 2.563 20 0 DFADRP C[C@@H]1[NH2+]CCC[C@@H]1NCC(C)(C)C[N@H+](C)Cc1ccccc1 ZINC000414953971 428473329 /nfs/dbraw/zinc/47/33/29/428473329.db2.gz MIDJBILHVNLGJD-WMZOPIPTSA-N 2 0 303.494 2.875 20 0 DFADRP COc1cccc(C[NH2+]CCC[C@H]2CCC[NH2+]2)c1OC(F)F ZINC000414966487 428474459 /nfs/dbraw/zinc/47/44/59/428474459.db2.gz GKDQHMSDQHVWBW-ZDUSSCGKSA-N 2 0 314.376 2.918 20 0 DFADRP C[C@@H]1C[NH2+]CC[C@H]1[NH2+]Cc1cn(C)nc1-c1ccccc1Cl ZINC000414965694 428474602 /nfs/dbraw/zinc/47/46/02/428474602.db2.gz VTSXEDHMJKSFCC-MLGOLLRUSA-N 2 0 318.852 2.828 20 0 DFADRP C[C@@H]1C[C@H]([NH2+]Cc2c[nH]nc2-c2ccc(Cl)cc2)CC[NH2+]1 ZINC000414962753 428475833 /nfs/dbraw/zinc/47/58/33/428475833.db2.gz ZXTQAJGQOZYYAR-IAQYHMDHSA-N 2 0 304.825 2.960 20 0 DFADRP COc1ccc2nc(C[NH2+]CCC[C@H]3CCC[NH2+]3)sc2c1 ZINC000414968047 428477975 /nfs/dbraw/zinc/47/79/75/428477975.db2.gz RDEPSJACWPLPNY-LBPRGKRZSA-N 2 0 305.447 2.927 20 0 DFADRP Cc1cc(NC[C@]2([NH+](C)C)CCSC2)c2cc(F)ccc2[nH+]1 ZINC000360883798 428478141 /nfs/dbraw/zinc/47/81/41/428478141.db2.gz LXCFLTHKCIWGQJ-QGZVFWFLSA-N 2 0 319.449 2.953 20 0 DFADRP Cc1cc(Cl)cc(C[N@@H+](C)CCCN(C)CC[NH+](C)C)c1 ZINC000353546023 428588376 /nfs/dbraw/zinc/58/83/76/428588376.db2.gz UEEWJTSXIWXDDU-UHFFFAOYSA-N 2 0 311.901 2.964 20 0 DFADRP CC[C@@H]([NH2+]CCN1CCCC[C@H]1CC)C1(C(=O)OC)CCC1 ZINC000353553328 428590200 /nfs/dbraw/zinc/59/02/00/428590200.db2.gz RKFLPUWYEGIOKM-HZPDHXFCSA-N 2 0 310.482 2.962 20 0 DFADRP C[C@H]1CCC[C@H]1[NH2+]CC1(N)CC[NH+](Cc2ccccc2)CC1 ZINC000415132673 428532236 /nfs/dbraw/zinc/53/22/36/428532236.db2.gz LLJRFMBBQOWAJS-FUHWJXTLSA-N 2 0 301.478 2.758 20 0 DFADRP C[C@@H](CC[N@@H+]1CCC[C@H](n2cc(C[NH3+])nn2)C1)c1ccccc1 ZINC000415130046 428532573 /nfs/dbraw/zinc/53/25/73/428532573.db2.gz PZRRTHVLLRWQQT-YJBOKZPZSA-N 2 0 313.449 2.568 20 0 DFADRP C[C@@H]([NH2+]CC1(N)CC[NH+](Cc2ccccc2)CC1)C1CCC1 ZINC000415133077 428533141 /nfs/dbraw/zinc/53/31/41/428533141.db2.gz MIRZWBPUIITSDI-MRXNPFEDSA-N 2 0 301.478 2.758 20 0 DFADRP C[NH+](C)Cc1ccc(C[NH2+][C@@H]2CC[N@H+](C)[C@H]3CCC[C@@H]32)cc1 ZINC000353434988 428534269 /nfs/dbraw/zinc/53/42/69/428534269.db2.gz KRRYVAAVSDXTLZ-QRVBRYPASA-N 3 0 301.478 2.711 20 0 DFADRP COc1ccc(OC)c(C[NH2+][C@@H]2CC[N@H+](C)[C@H]3CCC[C@@H]32)c1 ZINC000353433971 428535037 /nfs/dbraw/zinc/53/50/37/428535037.db2.gz HSWSVXAHXCRXMS-ZACQAIPSSA-N 2 0 304.434 2.666 20 0 DFADRP C[N@@H+]1CC[C@H](NC[C@H](c2ccco2)[NH+]2CCCC2)[C@@H]2CCC[C@@H]21 ZINC000353442205 428536947 /nfs/dbraw/zinc/53/69/47/428536947.db2.gz OVFKWKOIZVJVKP-XLAORIBOSA-N 2 0 317.477 2.879 20 0 DFADRP CC(C)[C@H](CN(C)Cc1ccccc1)[NH2+][C@H](C)[C@@H]1CC[NH2+]C1 ZINC000400337545 428544405 /nfs/dbraw/zinc/54/44/05/428544405.db2.gz DRTCNDVXWIBTMX-QRQLOZEOSA-N 2 0 303.494 2.731 20 0 DFADRP C[C@@H](N[C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1)[C@H]1CCC[NH2+]1 ZINC000400758913 428548252 /nfs/dbraw/zinc/54/82/52/428548252.db2.gz XRYILYJTMLCWTA-QFHJOOASSA-N 2 0 301.478 2.627 20 0 DFADRP C[C@H](NC[C@H]1CCCC[N@H+](Cc2ccccc2)C1)[C@@H]1CC[NH2+]C1 ZINC000400734670 428548353 /nfs/dbraw/zinc/54/83/53/428548353.db2.gz JRKQJLPUCCPSPD-DFQSSKMNSA-N 2 0 315.505 2.876 20 0 DFADRP C[C@@H]1CCC[N@H+](CCCC[NH2+][C@@H]2CC[NH+](C)[C@H]3CCC[C@@H]32)C1 ZINC000353462312 428548525 /nfs/dbraw/zinc/54/85/25/428548525.db2.gz IOHVOMNCUNASCQ-MKXGPGLRSA-N 2 0 307.526 2.961 20 0 DFADRP C[C@H](CC[NH+](C)C)[NH2+][C@@H](C)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000400755855 428549072 /nfs/dbraw/zinc/54/90/72/428549072.db2.gz WZJVFMAYXJVSAQ-ILXRZTDVSA-N 2 0 313.486 2.562 20 0 DFADRP COCCOc1ccccc1C[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@@H]21 ZINC000353465823 428550019 /nfs/dbraw/zinc/55/00/19/428550019.db2.gz ZLDCRVUWTKJLMC-KZNAEPCWSA-N 2 0 318.461 2.674 20 0 DFADRP Brc1cccc(CC[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)c1 ZINC000400953093 428550199 /nfs/dbraw/zinc/55/01/99/428550199.db2.gz XMAHYEJTCQLNGI-SQWLQELKSA-N 2 0 323.278 2.969 20 0 DFADRP c1ccc(CN2CCC[C@H]([NH2+][C@@H]3CC[C@H]4C[NH2+]C[C@@H]4C3)C2)cc1 ZINC000401021704 428550478 /nfs/dbraw/zinc/55/04/78/428550478.db2.gz LBKYBHYPFUZAPY-HAGHYFMRSA-N 3 0 313.489 2.629 20 0 DFADRP c1ccc(CN2CCC[C@H]([NH2+][C@@H]3CC[C@@H]4C[NH2+]C[C@H]4C3)C2)cc1 ZINC000401021708 428551143 /nfs/dbraw/zinc/55/11/43/428551143.db2.gz LBKYBHYPFUZAPY-WTGUMLROSA-N 3 0 313.489 2.629 20 0 DFADRP C[C@H](CC[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1)[N@H+](C)Cc1ccccc1 ZINC000401004065 428551376 /nfs/dbraw/zinc/55/13/76/428551376.db2.gz ASJKKUQBLBUIDO-GSEOLPGOSA-N 2 0 315.505 2.875 20 0 DFADRP CC[NH+]1CCN([C@H](C)C[NH2+][C@@H]2C[C@@H](C)c3ccccc32)CC1 ZINC000343523466 428553744 /nfs/dbraw/zinc/55/37/44/428553744.db2.gz GIGYNBIOCZCYOL-GPMSIDNRSA-N 2 0 301.478 2.851 20 0 DFADRP CC[NH+]1CCN([C@H](C)C[NH2+][C@H]2C[C@@H](C)c3ccccc32)CC1 ZINC000343523468 428554871 /nfs/dbraw/zinc/55/48/71/428554871.db2.gz GIGYNBIOCZCYOL-MDZRGWNJSA-N 2 0 301.478 2.851 20 0 DFADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@@H](CO)C1CC1 ZINC000353489941 428562136 /nfs/dbraw/zinc/56/21/36/428562136.db2.gz QKDBLTHIQFIBQZ-AYOQOUSVSA-N 2 0 302.462 2.505 20 0 DFADRP C[N@@H+]1CC[C@H]([NH2+]CCc2ccn(-c3ccccc3)n2)[C@@H]2CCC[C@H]21 ZINC000353498748 428566406 /nfs/dbraw/zinc/56/64/06/428566406.db2.gz BLVMAXFSZVHFNQ-SLFFLAALSA-N 2 0 324.472 2.877 20 0 DFADRP C[C@@H]1[C@@H](C)[N@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)CC(C)(C)[NH3+] ZINC000404312081 428567152 /nfs/dbraw/zinc/56/71/52/428567152.db2.gz LYDMWZRGPKOCJW-ARFHVFGLSA-N 2 0 317.477 2.624 20 0 DFADRP COc1ccc(CC[NH2+][C@@H]2CC[N@H+](C)[C@@H]3CCC[C@H]32)c(OC)c1 ZINC000353503813 428567652 /nfs/dbraw/zinc/56/76/52/428567652.db2.gz PXOPIIKYVGZRQA-RCCFBDPRSA-N 2 0 318.461 2.709 20 0 DFADRP CC(C)n1cc2c(n1)C[C@H]([NH2+][C@H]1CC[N@@H+]3CCC[C@H]3C1)CC2 ZINC000358287152 428594575 /nfs/dbraw/zinc/59/45/75/428594575.db2.gz IWDPROZZPLWYII-IKGGRYGDSA-N 2 0 302.466 2.538 20 0 DFADRP OC[C@H](C[NH2+][C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21)C1CC1 ZINC000353509010 428570160 /nfs/dbraw/zinc/57/01/60/428570160.db2.gz IICYVWGMVHHIJI-LWYYNNOASA-N 2 0 314.473 2.505 20 0 DFADRP C[N@@H+]1CC[C@H](NC2CC[NH+](C3CCCC3)CC2)[C@H]2CCC[C@@H]21 ZINC000353514228 428572072 /nfs/dbraw/zinc/57/20/72/428572072.db2.gz BUDRJFKUCWOIJU-QYZOEREBSA-N 3 0 305.510 2.856 20 0 DFADRP C[C@H](CN[C@@H]1CC[N@H+](C)[C@@H]2CCC[C@H]21)[NH+](C)Cc1ccccc1 ZINC000353518010 428573053 /nfs/dbraw/zinc/57/30/53/428573053.db2.gz KAUQKPVGJZXJIS-GSEOLPGOSA-N 2 0 315.505 2.969 20 0 DFADRP C[C@H]1CCC[N@H+](Cc2cnn(Cc3ccccc3)c2)[C@@H]1CC[NH3+] ZINC000405216417 428574625 /nfs/dbraw/zinc/57/46/25/428574625.db2.gz KGRJPTOSJOTTGW-QFBILLFUSA-N 2 0 312.461 2.881 20 0 DFADRP C[N@@H+]1CC[C@H]([NH2+]Cc2cccc(-n3ccnc3)c2)[C@H]2CCC[C@@H]21 ZINC000353521583 428574709 /nfs/dbraw/zinc/57/47/09/428574709.db2.gz QFJBQZPJWJNYTJ-QYZOEREBSA-N 2 0 310.445 2.835 20 0 DFADRP Cc1ccc(C[NH2+][C@@H]2CC[N@@H+](C[C@H]3CCCO3)C[C@@H]2C)c(C)n1 ZINC000373447165 428578415 /nfs/dbraw/zinc/57/84/15/428578415.db2.gz HTXYBPWKXGPSJD-GDIGMMSISA-N 2 0 317.477 2.677 20 0 DFADRP Cc1ccc(C[NH2+][C@@H]2CC[N@@H+](C[C@@H]3CCCO3)C[C@H]2C)c(C)n1 ZINC000373447168 428579951 /nfs/dbraw/zinc/57/99/51/428579951.db2.gz HTXYBPWKXGPSJD-MDASCCDHSA-N 2 0 317.477 2.677 20 0 DFADRP CC[N@@H+]1CC[C@H]([NH+](C)C[C@H](O)CCc2ccccc2)C[C@H]1C ZINC000347441578 428580083 /nfs/dbraw/zinc/58/00/83/428580083.db2.gz PCPAZOPTUVCFJF-NZSAHSFTSA-N 2 0 304.478 2.785 20 0 DFADRP C1C([NH2+][C@H]2[C@H]3CCO[C@H]3C23CCCC3)CC1[NH+]1CCCCC1 ZINC000373524986 428597828 /nfs/dbraw/zinc/59/78/28/428597828.db2.gz WLSGYETVQZUPKL-KWXGJIJISA-N 2 0 304.478 2.941 20 0 DFADRP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC1CC[NH+](C2CCCCC2)CC1 ZINC000361973951 428608609 /nfs/dbraw/zinc/60/86/09/428608609.db2.gz ZSPDAIPPYUHSOR-BEFAXECRSA-N 2 0 305.510 2.856 20 0 DFADRP CCC[N@H+](CC)C[C@H](C)NC(=O)Nc1ccccc1C[NH2+]C ZINC000415901846 428622409 /nfs/dbraw/zinc/62/24/09/428622409.db2.gz NNXSACHIBLOVRQ-AWEZNQCLSA-N 2 0 306.454 2.648 20 0 DFADRP C[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+][C@@H]2CCc3nc[nH]c3C2)CC1 ZINC000353614482 428622502 /nfs/dbraw/zinc/62/25/02/428622502.db2.gz XLXUPGOFNAIDFU-IDHHARJASA-N 2 0 316.493 2.900 20 0 DFADRP CC[NH+]1CCC(CCNC(=O)Nc2ccccc2C[NH2+]C)CC1 ZINC000415910130 428624840 /nfs/dbraw/zinc/62/48/40/428624840.db2.gz HFTASDTTXUWTHU-UHFFFAOYSA-N 2 0 318.465 2.650 20 0 DFADRP C[NH2+]Cc1ccccc1NC(=O)NCC[NH+]1[C@@H](C)CCC[C@@H]1C ZINC000415914080 428624904 /nfs/dbraw/zinc/62/49/04/428624904.db2.gz ULQKTDICCNWJGO-GJZGRUSLSA-N 2 0 318.465 2.790 20 0 DFADRP CC[NH2+]Cc1ccccc1NC(=O)N[C@H](C)C1=CC[N@H+](C)CC1 ZINC000415920735 428626054 /nfs/dbraw/zinc/62/60/54/428626054.db2.gz PGYHBMBEPBJTCN-CQSZACIVSA-N 2 0 316.449 2.568 20 0 DFADRP CO[C@@H]1[C@@H](C)[C@H]([NH2+]CC2(SC)CC[NH+](C)CC2)C12CCC2 ZINC000353627565 428627827 /nfs/dbraw/zinc/62/78/27/428627827.db2.gz LELCFFWLJAMJOY-SOUVJXGZSA-N 2 0 312.523 2.607 20 0 DFADRP CC[NH2+]Cc1cccc(NC(=O)N2CCC[C@H]([NH+](C)C)CC2)c1 ZINC000415924337 428627984 /nfs/dbraw/zinc/62/79/84/428627984.db2.gz WHTILONQTBEBDS-KRWDZBQOSA-N 2 0 318.465 2.744 20 0 DFADRP C[C@@H]([NH2+]CC1=CC[N@H+](C)CC1)c1cccc(N2CCCC2=O)c1 ZINC000344299963 428627950 /nfs/dbraw/zinc/62/79/50/428627950.db2.gz GNBVUZINDIFWDU-OAHLLOKOSA-N 2 0 313.445 2.726 20 0 DFADRP CSC1(C[NH2+][C@@H]2C[C@H](OC(C)C)C2(C)C)CC[NH+](C)CC1 ZINC000353624412 428628094 /nfs/dbraw/zinc/62/80/94/428628094.db2.gz QIIZWPTYXYHADP-CABCVRRESA-N 2 0 314.539 2.996 20 0 DFADRP CC[NH2+]Cc1ccccc1NC(=O)N(C)CCC[NH+]1CCCC1 ZINC000415929395 428629437 /nfs/dbraw/zinc/62/94/37/428629437.db2.gz HZFICHVOXAFXPI-UHFFFAOYSA-N 2 0 318.465 2.746 20 0 DFADRP CC[NH2+]Cc1cccc(NC(=O)N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000415931354 428630729 /nfs/dbraw/zinc/63/07/29/428630729.db2.gz KVOPLNSOXIGGPW-SJORKVTESA-N 2 0 316.449 2.544 20 0 DFADRP COCC[N@@H+]1CCN(c2cc(C)[nH+]c3ccc(F)cc32)C[C@@H]1C ZINC000301679030 274030263 /nfs/dbraw/zinc/03/02/63/274030263.db2.gz RFXLTKJOHMKCLQ-AWEZNQCLSA-N 2 0 317.408 2.839 20 0 DFADRP C[C@@H](CNC(=O)Nc1ccc(C[NH3+])cc1)[N@@H+]1CCCC[C@@H]1C ZINC000415972148 428636890 /nfs/dbraw/zinc/63/68/90/428636890.db2.gz HJMYADQIENVQHR-KBPBESRZSA-N 2 0 304.438 2.530 20 0 DFADRP CC[N@@H+]1CC[C@@H](N(C)C(=O)Nc2ccc(C[NH2+]C)cc2)C[C@H]1C ZINC000415971763 428637414 /nfs/dbraw/zinc/63/74/14/428637414.db2.gz KQANMKNJRKXIJT-RHSMWYFYSA-N 2 0 318.465 2.743 20 0 DFADRP C[NH+](C)[C@H](CNC(=O)Nc1ccc(C[NH3+])cc1)c1ccccc1 ZINC000415962919 428638063 /nfs/dbraw/zinc/63/80/63/428638063.db2.gz UMPVNZUDBYORRB-QGZVFWFLSA-N 2 0 312.417 2.570 20 0 DFADRP Cc1cc(N(C)C[C@H]2CCC[N@H+](C)[C@@H]2c2ccnn2C)cc[nH+]1 ZINC000344444252 428643632 /nfs/dbraw/zinc/64/36/32/428643632.db2.gz FGXJOCHMRGUDJO-QAPCUYQASA-N 2 0 313.449 2.643 20 0 DFADRP CCC[N@H+](CC)Cc1ccc(C(=O)N2CCN(C)C[C@H]2C)cc1 ZINC000344403685 428635183 /nfs/dbraw/zinc/63/51/83/428635183.db2.gz AMLZONZKRYPSCV-MRXNPFEDSA-N 2 0 317.477 2.695 20 0 DFADRP CC(C)C[C@@H](C[NH+]1CCCC1)NC(=O)Nc1ccc(C[NH3+])cc1 ZINC000415952878 428635547 /nfs/dbraw/zinc/63/55/47/428635547.db2.gz GKXARPAMGKYZKT-KRWDZBQOSA-N 2 0 318.465 2.777 20 0 DFADRP C[C@H]1CN(Cc2ccccc2)C[C@@H]1[NH2+]C1CCC([NH+](C)C)CC1 ZINC000353670610 428650360 /nfs/dbraw/zinc/65/03/60/428650360.db2.gz IDEQKPQOSCFDID-ACAXCVFMSA-N 2 0 315.505 2.969 20 0 DFADRP CCC[NH+](CCC)CCCNC(=O)Nc1ccc2c(c1)C[NH2+]C2 ZINC000415998441 428645100 /nfs/dbraw/zinc/64/51/00/428645100.db2.gz RYRACLAVTNNCGH-UHFFFAOYSA-N 2 0 318.465 2.923 20 0 DFADRP CCC[C@](C)([NH3+])C(=O)NC[C@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000353666189 428646385 /nfs/dbraw/zinc/64/63/85/428646385.db2.gz YNCTXAZUQUNDPX-UNEWFSDZSA-N 2 0 323.506 2.765 20 0 DFADRP CC1(C)CCC[C@H]([NH2+]CC(=O)NCC[NH+]2CCCCCC2)C1 ZINC000353667284 428649989 /nfs/dbraw/zinc/64/99/89/428649989.db2.gz CAYJMCQPHBKKBI-INIZCTEOSA-N 2 0 309.498 2.537 20 0 DFADRP CC(C)OC(=O)C[C@@H]1CCC[N@H+](CC[C@@H]2CCCC[NH+]2C)C1 ZINC000362194714 428656925 /nfs/dbraw/zinc/65/69/25/428656925.db2.gz KBAJWKWKMDVAOD-IRXDYDNUSA-N 2 0 310.482 2.915 20 0 DFADRP CC(C)[NH+]1CCC([NH2+]C[C@H](CO)c2ccccc2Cl)CC1 ZINC000348208316 428657065 /nfs/dbraw/zinc/65/70/65/428657065.db2.gz STXAJCSUVGXUEU-CQSZACIVSA-N 2 0 310.869 2.878 20 0 DFADRP CC[N@H+](CCC1CC[NH+](CCn2ccnc2)CC1)CC(C)C ZINC000358750651 428657387 /nfs/dbraw/zinc/65/73/87/428657387.db2.gz LZEFFTNOFDXRRN-UHFFFAOYSA-N 2 0 306.498 2.963 20 0 DFADRP Cc1c[nH+]ccc1N(C)C[C@H]1CCC[N@H+](C)[C@H]1c1ccnn1C ZINC000344462718 428653194 /nfs/dbraw/zinc/65/31/94/428653194.db2.gz VQSCBTPHAIIPDU-CRAIPNDOSA-N 2 0 313.449 2.643 20 0 DFADRP CCCC[C@H]([NH3+])C(=O)N1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000353702972 428667173 /nfs/dbraw/zinc/66/71/73/428667173.db2.gz KTPAUOODHBDRTG-IKGGRYGDSA-N 2 0 309.498 2.617 20 0 DFADRP CO[C@]1(C)CCC[NH+](C/C=C/C[N@H+]2CCC[C@@](C)(OC)C2)C1 ZINC000348235612 428672870 /nfs/dbraw/zinc/67/28/70/428672870.db2.gz MDCGKDCUNDDIEV-PJHKVULZSA-N 2 0 310.482 2.544 20 0 DFADRP CC[C@H](C(=O)NCCCC[N@@H+]1CCCC[C@H]1C)[NH+](CC)CC ZINC000344540913 428675551 /nfs/dbraw/zinc/67/55/51/428675551.db2.gz KQVCYRNFSMUCAH-IAGOWNOFSA-N 2 0 311.514 2.878 20 0 DFADRP CC(C)[N@@H+]1CC[C@H](N(C)C(=O)C[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC000416241673 428697447 /nfs/dbraw/zinc/69/74/47/428697447.db2.gz DLSKDTMNXUUNJY-ROUUACIJSA-N 2 0 317.477 2.621 20 0 DFADRP Cc1cccc(NC[C@@H]2CCC[NH+]2CC[C@@H]2CCC[N@H+]2C)n1 ZINC000362400189 428733585 /nfs/dbraw/zinc/73/35/85/428733585.db2.gz FQJDYSASXJRPEC-IRXDYDNUSA-N 2 0 302.466 2.751 20 0 DFADRP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccc(-n3cncn3)cc2)C[C@@H]1C ZINC000353754714 428699921 /nfs/dbraw/zinc/69/99/21/428699921.db2.gz ZQANNGWIQJCGHW-MAUKXSAKSA-N 2 0 313.449 2.572 20 0 DFADRP CC[NH+](CC)CCCNC(=O)[C@H](c1ccccc1)[N@H+](C)CC ZINC000358843223 428701620 /nfs/dbraw/zinc/70/16/20/428701620.db2.gz YSGZDLHZGYQJLB-KRWDZBQOSA-N 2 0 305.466 2.528 20 0 DFADRP c1ccc(C[NH+]2C[C@@H]3C[NH+](C[C@H]4CCCCO4)C[C@H]3C2)cc1 ZINC000348333398 428709861 /nfs/dbraw/zinc/70/98/61/428709861.db2.gz YPMXPTSHTGKRQX-GUDVDZBRSA-N 2 0 300.446 2.619 20 0 DFADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]C[C@@H](CO)c1ccccc1Cl ZINC000348383608 428728207 /nfs/dbraw/zinc/72/82/07/428728207.db2.gz DPDBMTQPTKYBLP-VWPFQQQWSA-N 2 0 310.869 2.734 20 0 DFADRP CCC[N@H+](CC)Cc1ccc(C(=O)NC[C@H](C)[NH2+]CC)cc1 ZINC000358913790 428729468 /nfs/dbraw/zinc/72/94/68/428729468.db2.gz JBVMXJZASINIIM-HNNXBMFYSA-N 2 0 305.466 2.646 20 0 DFADRP CCC[N@H+](CC)Cc1ccc(C(=O)NC[C@@H](C)[NH2+]CC)cc1 ZINC000358913791 428729819 /nfs/dbraw/zinc/72/98/19/428729819.db2.gz JBVMXJZASINIIM-OAHLLOKOSA-N 2 0 305.466 2.646 20 0 DFADRP CN(C)CC[NH+]1CCC(C[NH2+]C[C@H]2C[C@@H]2c2ccccc2)CC1 ZINC000348251944 428678863 /nfs/dbraw/zinc/67/88/63/428678863.db2.gz ALTSKLWKXAMSRO-WOJBJXKFSA-N 2 0 315.505 2.653 20 0 DFADRP C[C@H]([NH2+][C@@H]1CCCN(C)[C@H]1C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000348258321 428681351 /nfs/dbraw/zinc/68/13/51/428681351.db2.gz AARYFQJTLCBBMX-RAUXBKROSA-N 2 0 315.505 2.969 20 0 DFADRP Clc1ccc(CC[NH+]2CCN(CC[NH+]3CCCC3)CC2)cc1 ZINC000362274583 428682629 /nfs/dbraw/zinc/68/26/29/428682629.db2.gz ABULOVRCTOJLRX-UHFFFAOYSA-N 2 0 321.896 2.596 20 0 DFADRP C[NH+](C)[C@@H](CC(=O)N1CCC[C@H]([NH+](C)C)CC1)c1ccccc1 ZINC000416225788 428692138 /nfs/dbraw/zinc/69/21/38/428692138.db2.gz TXXROCRBBMSLJL-ROUUACIJSA-N 2 0 317.477 2.622 20 0 DFADRP COc1ccc(-c2n[nH]cc2C[NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)cc1 ZINC000344691186 428692883 /nfs/dbraw/zinc/69/28/83/428692883.db2.gz XKSNCSYBCOBDDM-CZUORRHYSA-N 2 0 314.433 2.658 20 0 DFADRP CC[NH+](CC)[C@H](C)CNC(=O)C[C@@H](c1ccccc1)[NH+](C)C ZINC000416218487 428693002 /nfs/dbraw/zinc/69/30/02/428693002.db2.gz RKRGEFVTYYXMEU-WBVHZDCISA-N 2 0 305.466 2.526 20 0 DFADRP COc1ccc(-c2n[nH]cc2C[NH2+][C@H]2CC[N@H+](C)[C@@H](C)C2)cc1 ZINC000344691184 428694386 /nfs/dbraw/zinc/69/43/86/428694386.db2.gz XKSNCSYBCOBDDM-BBRMVZONSA-N 2 0 314.433 2.658 20 0 DFADRP C[N@@H+]1CCC[C@H]2C[NH+](CCN3CCCc4ccccc43)CC[C@H]21 ZINC000362471409 428758023 /nfs/dbraw/zinc/75/80/23/428758023.db2.gz RTFPNCSXUYPFJV-RBUKOAKNSA-N 2 0 313.489 2.855 20 0 DFADRP CC(CC[NH+]1CCCO[C@@H](C)C1)CC[N@@H+]1CCCO[C@@H](C)C1 ZINC000411219673 428760717 /nfs/dbraw/zinc/76/07/17/428760717.db2.gz QPGHWHWRLGWVSA-ROUUACIJSA-N 2 0 312.498 2.624 20 0 DFADRP CCCOC(=O)[C@H](C)[N@H+](C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000374842192 428762734 /nfs/dbraw/zinc/76/27/34/428762734.db2.gz SGJZSEYEPVESMJ-HNNXBMFYSA-N 2 0 319.449 2.572 20 0 DFADRP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)[C@@H]2C[C@H]2c2cccc(F)c2)CC1 ZINC000411248989 428764298 /nfs/dbraw/zinc/76/42/98/428764298.db2.gz YGTMSWGQBPETKZ-MDASCCDHSA-N 2 0 320.452 2.706 20 0 DFADRP CO[C@@H]1CCC[NH+](CCC(C)CC[N@H+]2CCC[C@@H](OC)C2)C1 ZINC000411232864 428765650 /nfs/dbraw/zinc/76/56/50/428765650.db2.gz UGAAYBXZWGARPA-QZTJIDSGSA-N 2 0 312.498 2.624 20 0 DFADRP c1cc(C[NH+]2CCCCC2)ccc1CN1CC[N@@H+]2CCC[C@@H]2C1 ZINC000411256251 428767859 /nfs/dbraw/zinc/76/78/59/428767859.db2.gz KSXHGUQMXBINFM-HXUWFJFHSA-N 2 0 313.489 2.953 20 0 DFADRP C[C@H](C[NH2+][C@@H]1CC[C@@H](C)c2ccccc21)N1CC[NH+](C)CC1 ZINC000127675253 274490916 /nfs/dbraw/zinc/49/09/16/274490916.db2.gz BQTCSMNLZTUJQW-GPMSIDNRSA-N 2 0 301.478 2.851 20 0 DFADRP Cc1nn(C(C)(C)C)c(C)c1CN1CC[C@@H]2CC[N@@H+](C)C[C@@H]21 ZINC000374905161 428779429 /nfs/dbraw/zinc/77/94/29/428779429.db2.gz WDFAHUNDPVMWRH-RDJZCZTQSA-N 2 0 304.482 2.781 20 0 DFADRP CC(CC[NH+]1CCO[C@H](C)[C@@H]1C)CC[N@@H+]1CCO[C@H](C)[C@@H]1C ZINC000411322423 428780748 /nfs/dbraw/zinc/78/07/48/428780748.db2.gz INSWEJFGVGYVOK-WNRNVDISSA-N 2 0 312.498 2.621 20 0 DFADRP COC(=O)C[C@@H]1CC[C@H]([NH2+]CCC[NH+]2CCC(C)CC2)[C@H]1C ZINC000353935417 428784940 /nfs/dbraw/zinc/78/49/40/428784940.db2.gz WOYXGQCJFACNQQ-ULQDDVLXSA-N 2 0 310.482 2.676 20 0 DFADRP CCOC[C@@H]1CCC[C@@H]1[NH2+]Cc1cccc(OCC[NH+](C)C)c1 ZINC000353940074 428787128 /nfs/dbraw/zinc/78/71/28/428787128.db2.gz ACZQGEYHGIUIIN-HKUYNNGSSA-N 2 0 320.477 2.922 20 0 DFADRP COc1cc([C@@H](C)[NH2+]CCC[N@@H+]2CCCO[C@H](C)C2)ccc1F ZINC000348424113 428740869 /nfs/dbraw/zinc/74/08/69/428740869.db2.gz QFAZKBFMSQEOMV-HUUCEWRRSA-N 2 0 324.440 2.986 20 0 DFADRP CC[C@H](C(=O)N1CCC[C@@H]([NH+]2CCCC2)CC1)[NH+](CC)CC ZINC000348418471 428741367 /nfs/dbraw/zinc/74/13/67/428741367.db2.gz VCUSTHGKPWPUAR-IAGOWNOFSA-N 2 0 309.498 2.584 20 0 DFADRP CC[NH+](CC)CCO[C@H]1CC[N@H+](Cc2sc(C)nc2C)C1 ZINC000354078468 428849874 /nfs/dbraw/zinc/84/98/74/428849874.db2.gz SBXVPZWNHCXCFV-HNNXBMFYSA-N 2 0 311.495 2.693 20 0 DFADRP CC(C)C[N@@H+]1CC[C@H](CNC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)C1 ZINC000362646445 428797048 /nfs/dbraw/zinc/79/70/48/428797048.db2.gz KPBHFNOFZDZPFP-QZTJIDSGSA-N 2 0 323.525 2.591 20 0 DFADRP CC[C@@H]([NH2+]CC(=O)NC1CC[NH+](C(C)C)CC1)c1ccccc1 ZINC000411452616 428799373 /nfs/dbraw/zinc/79/93/73/428799373.db2.gz HBGGOIFOUFEHKS-GOSISDBHSA-N 2 0 317.477 2.716 20 0 DFADRP C[C@H]([NH2+]C[C@@H]1CCOC[C@@H]1C)c1cccc(OCC[NH+](C)C)c1 ZINC000353978309 428801782 /nfs/dbraw/zinc/80/17/82/428801782.db2.gz KEDDITWQOUTXCZ-BQFCYCMXSA-N 2 0 320.477 2.950 20 0 DFADRP C[C@@H](O)[C@H]1CC[N@H+](Cc2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC000411497268 428805083 /nfs/dbraw/zinc/80/50/83/428805083.db2.gz ODPJGJXEOHEJJH-APWZRJJASA-N 2 0 302.462 2.875 20 0 DFADRP CC[C@@H]1CCCC[C@@H]1[NH2+]CC(=O)NC1CC[NH+](C(C)C)CC1 ZINC000411553762 428816632 /nfs/dbraw/zinc/81/66/32/428816632.db2.gz SAHGVXOHHBFSNB-WBVHZDCISA-N 2 0 309.498 2.534 20 0 DFADRP CCC[N@H+](C)C[C@H]1CCN(Cc2cnc3cccc(C)n23)C1 ZINC000354009085 428817718 /nfs/dbraw/zinc/81/77/18/428817718.db2.gz KTQBBSIYTZZSNY-MRXNPFEDSA-N 2 0 300.450 2.806 20 0 DFADRP C[C@@H]1C[C@@H](NC[C@H](C2CC2)[NH+](C)C)CC[N@@H+]1Cc1ccccc1 ZINC000359113294 428822951 /nfs/dbraw/zinc/82/29/51/428822951.db2.gz IKIIHHXBDIHNCR-LSTHTHJFSA-N 2 0 315.505 2.969 20 0 DFADRP CC(C)(C)CC(=O)N1CCC([NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)CC1 ZINC000359119214 428825590 /nfs/dbraw/zinc/82/55/90/428825590.db2.gz WWTWATKVUMOKRM-SJORKVTESA-N 2 0 321.509 2.630 20 0 DFADRP C[C@@H]1C[N@H+](Cc2ccc(C[NH+]3CCCCC3)cc2)C[C@H]1CO ZINC000411615557 428826292 /nfs/dbraw/zinc/82/62/92/428826292.db2.gz CDURZXCRBXLEBS-APWZRJJASA-N 2 0 302.462 2.733 20 0 DFADRP CCC[C@H](C)[C@@H](CC)[NH2+][C@@H]1CCC(=O)N[C@H]1c1cncn1C ZINC000375520578 428906173 /nfs/dbraw/zinc/90/61/73/428906173.db2.gz UHTKXEFSSYGCOE-ZOMKSWQUSA-N 2 0 306.454 2.544 20 0 DFADRP CCc1nc(CN(CC[NH+](C)C)C[C@H]2CCC[N@H+]2CC)cs1 ZINC000349059130 428909551 /nfs/dbraw/zinc/90/95/51/428909551.db2.gz BJQATLQZBOHZGG-MRXNPFEDSA-N 2 0 324.538 2.553 20 0 DFADRP CC(C)c1nccn1CCC(=O)NCC[NH+]1[C@@H](C)CCC[C@@H]1C ZINC000345500167 428910166 /nfs/dbraw/zinc/91/01/66/428910166.db2.gz CYYAFWAZVPNJCJ-HOTGVXAUSA-N 2 0 320.481 2.776 20 0 DFADRP CC[NH+](CC)CCO[C@H]1CC[N@H+](Cc2sccc2OC)C1 ZINC000354087416 428855419 /nfs/dbraw/zinc/85/54/19/428855419.db2.gz ADJGZJPGJQELKY-AWEZNQCLSA-N 2 0 312.479 2.689 20 0 DFADRP CC[NH+](CC)CCO[C@@H]1CC[N@H+](Cc2ccc(OC)c(F)c2)C1 ZINC000354089365 428856799 /nfs/dbraw/zinc/85/67/99/428856799.db2.gz YNJPUZPMWXUJBP-MRXNPFEDSA-N 2 0 324.440 2.767 20 0 DFADRP CCC[C@@H]([NH2+]C(C)C)C(=O)N1CCC(C[NH+](CC)CC)CC1 ZINC000354090528 428858624 /nfs/dbraw/zinc/85/86/24/428858624.db2.gz ISQSFFGCUJWGCX-QGZVFWFLSA-N 2 0 311.514 2.734 20 0 DFADRP C[C@H]1CCC[C@@H](C[N@@H+]2CCCN(Cc3nccn3C)CC2)C1 ZINC000363109084 428859173 /nfs/dbraw/zinc/85/91/73/428859173.db2.gz XXDHASNOCVKXAW-DLBZAZTESA-N 2 0 304.482 2.754 20 0 DFADRP Clc1ccc(CN2CC[NH+](CCC3CC[NH2+]CC3)CC2)cc1 ZINC000359198891 428862912 /nfs/dbraw/zinc/86/29/12/428862912.db2.gz DGTYRMQCJKNMHF-UHFFFAOYSA-N 2 0 321.896 2.847 20 0 DFADRP C(C[NH+]1CCC[C@H]1[C@@H]1CCCO1)C[N@@H+]1CCC[C@H]1[C@@H]1CCCO1 ZINC000375373620 428867072 /nfs/dbraw/zinc/86/70/72/428867072.db2.gz NZJVEPPWUPURMZ-VJANTYMQSA-N 2 0 322.493 2.663 20 0 DFADRP C[N@H+](CCN1CCC[C@H]1c1ncc[nH]1)Cc1ccc(F)cc1 ZINC000375389501 428869372 /nfs/dbraw/zinc/86/93/72/428869372.db2.gz GTQWZMZYNOADEF-INIZCTEOSA-N 2 0 302.397 2.818 20 0 DFADRP COC(=O)C[C@@H]1CC[C@@H]([NH2+]C2CC[NH+](C(C)(C)C)CC2)[C@H]1C ZINC000354124450 428872043 /nfs/dbraw/zinc/87/20/43/428872043.db2.gz KSUQYGLBRNQZPO-OFQRWUPVSA-N 2 0 310.482 2.817 20 0 DFADRP C[NH+](C)CCCN(CCC[NH+](C)C)Cc1cc(F)cc(F)c1 ZINC000348903504 428873551 /nfs/dbraw/zinc/87/35/51/428873551.db2.gz HNUCKUDKBBAEDH-UHFFFAOYSA-N 2 0 313.436 2.670 20 0 DFADRP [NH2+]=C(NCCC[NH+]1CCCCC1)N[C@@H]1CCOc2ccccc21 ZINC000363170010 428875030 /nfs/dbraw/zinc/87/50/30/428875030.db2.gz BEFJIJBAZPKKFA-MRXNPFEDSA-N 2 0 316.449 2.500 20 0 DFADRP CCN(CCC[NH+]1CCCC1)Cc1ccccc1C(=O)N(C)C ZINC000418063617 428877108 /nfs/dbraw/zinc/87/71/08/428877108.db2.gz HDDGHGVPSVWMTI-UHFFFAOYSA-N 2 0 317.477 2.696 20 0 DFADRP C[C@H](CCCC[NH3+])NC(=O)NC[C@H]1CCC[N@@H+]1C1CCCCC1 ZINC000418133815 428885308 /nfs/dbraw/zinc/88/53/08/428885308.db2.gz LJISZFKOPDNLSP-NVXWUHKLSA-N 2 0 324.513 2.600 20 0 DFADRP CCC[N@H+](C)CC(=O)Nc1ccc(CC[NH+]2CCCC2)cc1 ZINC000359268789 428896902 /nfs/dbraw/zinc/89/69/02/428896902.db2.gz XRSGHFPWBIAURL-UHFFFAOYSA-N 2 0 303.450 2.605 20 0 DFADRP CCc1ncc(CN(CC[NH+](C)C)C[C@H]2CCC[N@H+]2CC)s1 ZINC000349037866 428905641 /nfs/dbraw/zinc/90/56/41/428905641.db2.gz TZNIGJXWAXZOFI-OAHLLOKOSA-N 2 0 324.538 2.553 20 0 DFADRP CCc1ncc(CN(CC[NH+](C)C)C[C@@H]2CCC[N@H+]2CC)s1 ZINC000349037864 428905935 /nfs/dbraw/zinc/90/59/35/428905935.db2.gz TZNIGJXWAXZOFI-HNNXBMFYSA-N 2 0 324.538 2.553 20 0 DFADRP CC(C)[C@H](C[NH2+]C[C@@H](O)C[NH+]1CCCCC1)c1ccccc1 ZINC000354206481 428913816 /nfs/dbraw/zinc/91/38/16/428913816.db2.gz CPWGUWALBXGQNF-MOPGFXCFSA-N 2 0 304.478 2.863 20 0 DFADRP CCC[N@@H+]1CC[C@@H](C[NH2+]C2CCC(C)(C(=O)OCC)CC2)C1 ZINC000354209542 428916332 /nfs/dbraw/zinc/91/63/32/428916332.db2.gz IYBCFJPIPIWBAB-HJOIGYKYSA-N 2 0 310.482 2.820 20 0 DFADRP COC(=O)c1cc([C@H](C)[NH+]2CCC(C[NH+](C)C)CC2)oc1C ZINC000432927046 428971286 /nfs/dbraw/zinc/97/12/86/428971286.db2.gz JRSDPUTXKNDUOE-LBPRGKRZSA-N 2 0 308.422 2.709 20 0 DFADRP C[C@H](C[NH+]1CCCCCC1)NC(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC000359332256 428924860 /nfs/dbraw/zinc/92/48/60/428924860.db2.gz REDHRYVQIQTCDT-SJLPKXTDSA-N 2 0 321.509 2.774 20 0 DFADRP Cc1noc(C)c1C[N@@H+](C)C1CCN(c2cc[nH+]cc2)CC1 ZINC000363482362 428926681 /nfs/dbraw/zinc/92/66/81/428926681.db2.gz ZDLULJKWFKPDLD-UHFFFAOYSA-N 2 0 300.406 2.787 20 0 DFADRP C[NH+]1CCC([C@H]2CC[N@H+](Cc3ccc([S@@](C)=O)cc3)C2)CC1 ZINC000349178783 428933644 /nfs/dbraw/zinc/93/36/44/428933644.db2.gz BNWPZPDBLMWPMI-HTAPYJJXSA-N 2 0 320.502 2.588 20 0 DFADRP CCN(C)c1ccc(C[N@@H+]2CC[C@@H](C3CC[NH+](C)CC3)C2)cn1 ZINC000349191187 428936317 /nfs/dbraw/zinc/93/63/17/428936317.db2.gz NWLUZLBYBXUICV-GOSISDBHSA-N 2 0 316.493 2.701 20 0 DFADRP CC(C)[C@@H]1OCC[C@@H]1C[NH2+][C@@H]1CC[N@H+](C[C@H]2CCCO2)C[C@@H]1C ZINC000363538181 428936797 /nfs/dbraw/zinc/93/67/97/428936797.db2.gz NZCTULLHXOHXOO-VHPHOLNESA-N 2 0 324.509 2.527 20 0 DFADRP COC(=O)C[C@@H]1CC[C@H]([NH2+][C@@H](CC[NH+](C)C)C(C)(C)C)[C@H]1C ZINC000354332263 428971724 /nfs/dbraw/zinc/97/17/24/428971724.db2.gz HSWVTJNILXPNMX-VGWMRTNUSA-N 2 0 312.498 2.920 20 0 DFADRP C[N@@H+]1CC[C@H]([NH2+]Cc2ccnc(OC(F)F)c2)[C@@H]2CCC[C@@H]21 ZINC000375788562 428971823 /nfs/dbraw/zinc/97/18/23/428971823.db2.gz JAYQVJDCYSWUNS-IHRRRGAJSA-N 2 0 311.376 2.645 20 0 DFADRP C[N@@H+]1CCCC[C@@H]1CCC(=O)N[C@H]1CC[NH+](CC2CCCC2)C1 ZINC000354273320 428949826 /nfs/dbraw/zinc/94/98/26/428949826.db2.gz KZVWYBXFWNHOQI-ZWKOTPCHSA-N 2 0 321.509 2.632 20 0 DFADRP Cc1cnn(C)c1C[NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]12 ZINC000375752907 428960217 /nfs/dbraw/zinc/96/02/17/428960217.db2.gz HBJMWROPXOPLME-GUDVDZBRSA-N 2 0 324.472 2.729 20 0 DFADRP c1ccc2c(c1)CCSC[C@@H]2[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000423539513 428967412 /nfs/dbraw/zinc/96/74/12/428967412.db2.gz IMHAHINOTJTVJL-HPFXQQBRSA-N 2 0 302.487 2.995 20 0 DFADRP COc1cc2c(cc1OC)[C@H]([NH2+][C@@H]1CC[C@H]3C[NH2+]C[C@H]3C1)CC2 ZINC000423538138 428967803 /nfs/dbraw/zinc/96/78/03/428967803.db2.gz FPDVMPFBMAMJPT-KLZNWCGWSA-N 2 0 316.445 2.669 20 0 DFADRP COc1cc(C)c(C[C@H](C)[NH2+]CCC[NH2+]C2CC2)cc1OC ZINC000423543403 428968531 /nfs/dbraw/zinc/96/85/31/428968531.db2.gz BSYJZICXAVJPRV-AWEZNQCLSA-N 2 0 306.450 2.675 20 0 DFADRP C[C@H](CCc1ccc2c(c1)OCO2)[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000423538517 428969576 /nfs/dbraw/zinc/96/95/76/428969576.db2.gz GNZYFGDUZBPPIC-BSWAZPDLSA-N 2 0 316.445 2.714 20 0 DFADRP C[NH+](C)CCOc1cccc(C[NH2+][C@@H]2CCCc3n[nH]cc32)c1 ZINC000375788461 428970081 /nfs/dbraw/zinc/97/00/81/428970081.db2.gz ITAJRKWCVVDNKQ-QGZVFWFLSA-N 2 0 314.433 2.517 20 0 DFADRP c1ccc([C@H]([NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)c2ccncn2)cc1 ZINC000423555609 428970935 /nfs/dbraw/zinc/97/09/35/428970935.db2.gz YDIDKHCMOWLYNC-NTDBWNAOSA-N 2 0 308.429 2.544 20 0 DFADRP C[N@@H+]1CC[C@H]([NH2+]Cc2ccnc(OC(F)F)c2)[C@H]2CCC[C@H]21 ZINC000375788550 428970821 /nfs/dbraw/zinc/97/08/21/428970821.db2.gz JAYQVJDCYSWUNS-HZSPNIEDSA-N 2 0 311.376 2.645 20 0 DFADRP C[NH+](C)C[C@H](NC(=O)[C@H]1CCC[C@@H]([NH3+])C1)c1ccc(Cl)cc1 ZINC000423783072 429018063 /nfs/dbraw/zinc/01/80/63/429018063.db2.gz ZTKYVXDTQLWYQP-IMJJTQAJSA-N 2 0 323.868 2.576 20 0 DFADRP C[NH+](C)Cc1ccccc1C(=O)NC1CC[NH+](C(C)(C)C)CC1 ZINC000433301918 429020137 /nfs/dbraw/zinc/02/01/37/429020137.db2.gz HDRDDFBNOPSHNV-UHFFFAOYSA-N 2 0 317.477 2.741 20 0 DFADRP CC(C)[C@](C)(CN)[NH2+]CCC(=O)N[C@@H]1CCCc2ccccc21 ZINC000433492937 429034751 /nfs/dbraw/zinc/03/47/51/429034751.db2.gz HHKHKJAKARNSBQ-MJGOQNOKSA-N 2 0 317.477 2.533 20 0 DFADRP C[NH+](C)[C@@H]1CCC[C@H](NC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC000433359688 429028640 /nfs/dbraw/zinc/02/86/40/429028640.db2.gz CWFAXQRUFSYDMT-CGTJXYLNSA-N 2 0 321.509 2.773 20 0 DFADRP C[NH+](C)[C@@H](CC(=O)N[C@@H]1CCC[C@@H]([NH+](C)C)C1)c1ccccc1 ZINC000433360436 429028660 /nfs/dbraw/zinc/02/86/60/429028660.db2.gz FZHWRKWGMDLPJN-KURKYZTESA-N 2 0 317.477 2.668 20 0 DFADRP C[C@H]1C[N@H+](CCC[NH2+]CCCCOc2ccccc2)CCCO1 ZINC000433024180 428979539 /nfs/dbraw/zinc/97/95/39/428979539.db2.gz VUUOPEHHINYFJU-SFHVURJKSA-N 2 0 320.477 2.936 20 0 DFADRP Cc1cccc2c1CC[C@@H]2[NH2+][C@@H](C)CCN1CC[NH+](C)CC1 ZINC000349384247 428979608 /nfs/dbraw/zinc/97/96/08/428979608.db2.gz WFVAPLPQNCRHFI-LPHOPBHVSA-N 2 0 301.478 2.598 20 0 DFADRP C[C@H]([NH3+])c1ccc(C(=O)N(CCC[NH3+])Cc2ccccc2)cc1 ZINC000423607040 428980582 /nfs/dbraw/zinc/98/05/82/428980582.db2.gz MAXFVRYXEJAUEM-HNNXBMFYSA-N 2 0 311.429 2.698 20 0 DFADRP CCc1oc(CN(CC)CCC[NH+]2CCCC2)cc1C(=O)OC ZINC000349406526 428980825 /nfs/dbraw/zinc/98/08/25/428980825.db2.gz LSOCCZSDZUAZER-UHFFFAOYSA-N 2 0 322.449 2.936 20 0 DFADRP CC[NH+](CC)CCC[N@H+](CC)Cc1ccc(-n2cncn2)cc1 ZINC000349422257 428985434 /nfs/dbraw/zinc/98/54/34/428985434.db2.gz UMKPUNYKDLHGEV-UHFFFAOYSA-N 2 0 315.465 2.821 20 0 DFADRP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]C[C@H]1CCCN(c2ccccc2)C1 ZINC000433093609 428992263 /nfs/dbraw/zinc/99/22/63/428992263.db2.gz VALZSWNUOWAJIH-ZHALLVOQSA-N 2 0 301.478 2.833 20 0 DFADRP CC[C@H](C(=O)NC[C@H]1CCC[C@H]([NH3+])C1)[N@H+](C)Cc1ccccc1 ZINC000423673715 428993203 /nfs/dbraw/zinc/99/32/03/428993203.db2.gz AFZBMKXEGICFSL-OKZBNKHCSA-N 2 0 317.477 2.531 20 0 DFADRP CCSc1cccc(NC(=O)CCC[NH+]2CCC([NH3+])CC2)c1 ZINC000433127918 428998353 /nfs/dbraw/zinc/99/83/53/428998353.db2.gz JZERITPXQPXGBH-UHFFFAOYSA-N 2 0 321.490 2.940 20 0 DFADRP CCN(C(=O)CCC[NH+]1CCC([NH3+])CC1)c1cc(C)cc(C)c1 ZINC000433129956 428998484 /nfs/dbraw/zinc/99/84/84/428998484.db2.gz FXNIHMJIAHVEMJ-UHFFFAOYSA-N 2 0 317.477 2.860 20 0 DFADRP CCC[C@H]1[C@H](C)CCCN1C(=O)CCC[NH+]1CCC([NH3+])CC1 ZINC000433140202 428998523 /nfs/dbraw/zinc/99/85/23/428998523.db2.gz FIYLGVHVBJLDBX-WBVHZDCISA-N 2 0 309.498 2.617 20 0 DFADRP CCC[C@@H]1[C@H](C)CCCN1C(=O)CCC[NH+]1CCC([NH3+])CC1 ZINC000433140200 428999933 /nfs/dbraw/zinc/99/99/33/428999933.db2.gz FIYLGVHVBJLDBX-NVXWUHKLSA-N 2 0 309.498 2.617 20 0 DFADRP CCc1ccc([C@H](C)NC(=O)CCC[NH+]2CCC([NH3+])CC2)cc1 ZINC000433143366 429001138 /nfs/dbraw/zinc/00/11/38/429001138.db2.gz HKKMKRONNXRYLF-HNNXBMFYSA-N 2 0 317.477 2.630 20 0 DFADRP [NH3+]C1CC[NH+](CCCC(=O)N[C@H](c2cccs2)C2CC2)CC1 ZINC000433146127 429001702 /nfs/dbraw/zinc/00/17/02/429001702.db2.gz TXOKYJACVXDXQZ-KRWDZBQOSA-N 2 0 321.490 2.519 20 0 DFADRP CC(C)[C@@H](NC(=O)CCC[NH+]1CCC([NH3+])CC1)c1ccccc1 ZINC000433161494 429003088 /nfs/dbraw/zinc/00/30/88/429003088.db2.gz XXIZXOUSPXUPFS-LJQANCHMSA-N 2 0 317.477 2.703 20 0 DFADRP CCc1ccc(CC)c(NC(=O)CCC[NH+]2CCC([NH3+])CC2)c1 ZINC000433161661 429003570 /nfs/dbraw/zinc/00/35/70/429003570.db2.gz RSVYBMUFFXQUDE-UHFFFAOYSA-N 2 0 317.477 2.953 20 0 DFADRP CC(C)c1cccc(NC(=O)CCC[NH+]2CCC([NH3+])CC2)c1 ZINC000433161247 429004573 /nfs/dbraw/zinc/00/45/73/429004573.db2.gz XLCOAUBDXVJNIM-UHFFFAOYSA-N 2 0 303.450 2.952 20 0 DFADRP CC(C)[C@H](NC(=O)CCC[NH+]1CCC([NH3+])CC1)c1ccccc1 ZINC000433161491 429005016 /nfs/dbraw/zinc/00/50/16/429005016.db2.gz XXIZXOUSPXUPFS-IBGZPJMESA-N 2 0 317.477 2.703 20 0 DFADRP C[C@@H](CC(=O)N(C)CC[N@H+](C)C1CCCCC1)[C@@H]1CCC[NH2+]C1 ZINC000423766961 429011316 /nfs/dbraw/zinc/01/13/16/429011316.db2.gz VVDJYUDUGOXTRM-DLBZAZTESA-N 2 0 323.525 2.735 20 0 DFADRP CCc1ccc(C[N@@H+]2CC[C@H](N3CC[NH+](C(C)C)CC3)C2)cc1 ZINC000375908317 429013900 /nfs/dbraw/zinc/01/39/00/429013900.db2.gz VZZGGQRKKUWITC-FQEVSTJZSA-N 2 0 315.505 2.849 20 0 DFADRP C[C@H](NC(=O)C(C)(C)[C@H]([NH3+])c1ccccc1)C(C)(C)C[NH+](C)C ZINC000423446574 429089417 /nfs/dbraw/zinc/08/94/17/429089417.db2.gz SQMPREFWZIIZNO-GOEBONIOSA-N 2 0 319.493 2.805 20 0 DFADRP CCOC(=O)[C@@H]1CC[C@@H]([NH2+][C@@H](C)CCC[NH3+])c2ccccc21 ZINC000423456876 429090301 /nfs/dbraw/zinc/09/03/01/429090301.db2.gz OICGKQFJQITLJN-IAOVAPTHSA-N 2 0 304.434 2.885 20 0 DFADRP CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@@H](C)CCC[NH3+])c2ccccc21 ZINC000423456903 429090316 /nfs/dbraw/zinc/09/03/16/429090316.db2.gz OICGKQFJQITLJN-XKQJLSEDSA-N 2 0 304.434 2.885 20 0 DFADRP C[C@H]([NH2+]C[C@H]1CCC[C@H]([NH3+])C1)c1ccc(OCC[NH+](C)C)cc1 ZINC000423453224 429090786 /nfs/dbraw/zinc/09/07/86/429090786.db2.gz AKAOSQIQWTZKMK-BQFCYCMXSA-N 2 0 319.493 2.795 20 0 DFADRP CN1CC[C@H]([NH2+]C[C@@H]2CCC[C@@H]([NH3+])C2)C[C@H]1c1ccccc1 ZINC000423465305 429092094 /nfs/dbraw/zinc/09/20/94/429092094.db2.gz HPJNPIXTFIQRDO-YSHGAJCASA-N 2 0 301.478 2.929 20 0 DFADRP CC(C)NC(=O)Nc1ccc([C@H](C)[NH2+][C@@H](C)CCC[NH3+])cc1 ZINC000423471778 429092135 /nfs/dbraw/zinc/09/21/35/429092135.db2.gz ZTCGKKUBHDNKAF-KBPBESRZSA-N 2 0 306.454 2.995 20 0 DFADRP c1ccc(C[C@H]([NH2+]CCC[C@@H]2CCC[NH2+]2)c2cccnc2)nc1 ZINC000423477885 429093667 /nfs/dbraw/zinc/09/36/67/429093667.db2.gz KRTUWJAXXXRQNL-HKUYNNGSSA-N 2 0 310.445 2.882 20 0 DFADRP Cn1ccc([C@H]([NH2+]CCC[C@@H]2CCC[NH2+]2)c2ccc(F)cc2)n1 ZINC000423478804 429093706 /nfs/dbraw/zinc/09/37/06/429093706.db2.gz LPRRGCCHIBPCPA-FUHWJXTLSA-N 2 0 316.424 2.770 20 0 DFADRP CCO[C@@H]1C[C@H]([NH2+]C[C@@H]2CCC[C@@H]([NH3+])C2)[C@H]1Oc1ccccc1 ZINC000423475001 429093799 /nfs/dbraw/zinc/09/37/99/429093799.db2.gz POFVKDXJZGNZNB-QWXYKEQDSA-N 2 0 318.461 2.719 20 0 DFADRP Fc1ccc([C@H]([NH2+]CCC[C@@H]2CCC[NH2+]2)c2cnccn2)cc1 ZINC000423475498 429094282 /nfs/dbraw/zinc/09/42/82/429094282.db2.gz IBWNEGYLSDWZFP-WMZOPIPTSA-N 2 0 314.408 2.827 20 0 DFADRP CC(=O)NCCc1ccc([C@H](C)[NH2+]C[C@@H]2CCC[C@@H]([NH3+])C2)cc1 ZINC000423481014 429094848 /nfs/dbraw/zinc/09/48/48/429094848.db2.gz WMUKPRGHBFBPDK-POZUXBRTSA-N 2 0 317.477 2.533 20 0 DFADRP C[C@H]([NH3+])[C@H](C)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000423479996 429094948 /nfs/dbraw/zinc/09/49/48/429094948.db2.gz VWKOKZNMOKMRSY-BHEBFOIGSA-N 2 0 301.478 2.755 20 0 DFADRP COC[C@H]([NH2+]C[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1)C(C)C ZINC000423474328 429095328 /nfs/dbraw/zinc/09/53/28/429095328.db2.gz ONZQVGJXMWLGLU-JQHSSLGASA-N 2 0 308.441 2.779 20 0 DFADRP COC(=O)Nc1cccc(C[NH2+][C@@H]2CC[N@H+](C)[C@@H]3CCC[C@@H]32)c1 ZINC000376063158 429051718 /nfs/dbraw/zinc/05/17/18/429051718.db2.gz XZLJNIBBYZUUKM-BRWVUGGUSA-N 2 0 317.433 2.827 20 0 DFADRP C[NH2+]C[C@@H](C)C[NH2+][C@H]1CCCc2ncc(C(F)(F)F)cc21 ZINC000423282444 429055532 /nfs/dbraw/zinc/05/55/32/429055532.db2.gz WORNZTBZWIQEIM-MFKMUULPSA-N 2 0 301.356 2.923 20 0 DFADRP C[C@H]([NH3+])[C@@H](Cc1ccccc1)NCC[NH2+]C1CCCCCC1 ZINC000423283490 429055670 /nfs/dbraw/zinc/05/56/70/429055670.db2.gz FHZBJERTYKHWIL-QFBILLFUSA-N 2 0 303.494 2.847 20 0 DFADRP C[NH2+]C[C@H](C)CN[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000423281626 429056599 /nfs/dbraw/zinc/05/65/99/429056599.db2.gz VVUIAZLDVQOQFQ-KANFNMMFSA-N 2 0 301.478 2.627 20 0 DFADRP C[C@@H]([NH2+]CCC[C@@H]1CCC[NH2+]1)c1cccc(OCC[NH+](C)C)c1 ZINC000423485364 429096882 /nfs/dbraw/zinc/09/68/82/429096882.db2.gz RMMSDLVIEDKSLF-SJLPKXTDSA-N 2 0 319.493 2.810 20 0 DFADRP CCC([NH3+])(CC)C[NH2+][C@@H](CCn1cncn1)c1ccc(C)cc1 ZINC000423286909 429058491 /nfs/dbraw/zinc/05/84/91/429058491.db2.gz JJOLEGFXAMVHMB-KRWDZBQOSA-N 2 0 315.465 2.825 20 0 DFADRP CC(C)[C@H](C(=O)NC[C@H](c1cccs1)[NH+]1CCCC1)[C@H](C)[NH3+] ZINC000423299929 429060235 /nfs/dbraw/zinc/06/02/35/429060235.db2.gz CSVMGQOEMALCIP-LZWOXQAQSA-N 2 0 323.506 2.621 20 0 DFADRP CC(C)OC(=O)CC[N@H+](C)C1CCN(CCC(F)(F)F)CC1 ZINC000452116779 429060403 /nfs/dbraw/zinc/06/04/03/429060403.db2.gz MNBLWBOSELRROV-UHFFFAOYSA-N 2 0 324.387 2.677 20 0 DFADRP C[C@H]1CCCC[N@@H+]1CCNC(=O)C(C)(C)[C@H]([NH3+])c1ccccc1 ZINC000423318585 429062490 /nfs/dbraw/zinc/06/24/90/429062490.db2.gz CNUQTLQNVXWLAG-DOTOQJQBSA-N 2 0 317.477 2.703 20 0 DFADRP [NH3+]CCCC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H]2CCC[C@H]21 ZINC000423322333 429062569 /nfs/dbraw/zinc/06/25/69/429062569.db2.gz IFRCMZYYERQIHR-OTWHNJEPSA-N 3 0 301.478 2.758 20 0 DFADRP [NH3+][C@H](C[NH2+][C@H]1CCc2cc(Br)ccc2C1)C1CC1 ZINC000423319074 429063029 /nfs/dbraw/zinc/06/30/29/429063029.db2.gz LNVWTKZOXSQBAL-LSDHHAIUSA-N 2 0 309.251 2.633 20 0 DFADRP C[C@@H]([NH2+]CC1(C)CC[NH2+]CC1)c1ccc(OCC[NH+](C)C)cc1 ZINC000423329612 429064397 /nfs/dbraw/zinc/06/43/97/429064397.db2.gz MXXWVFOVIPPVEQ-MRXNPFEDSA-N 3 0 319.493 2.667 20 0 DFADRP C[N@@H+]1CC[C@H](NC[C@]2(C)CCC[NH2+]C2)C[C@H]1c1ccccc1 ZINC000423326549 429065113 /nfs/dbraw/zinc/06/51/13/429065113.db2.gz CKLVIOUFXQVXDQ-GBESFXJTSA-N 2 0 301.478 2.801 20 0 DFADRP CC(C)[NH+](CCCNC(=O)C1C[C@H]2CCC[C@@H](C1)C2[NH3+])C(C)C ZINC000376154199 429066477 /nfs/dbraw/zinc/06/64/77/429066477.db2.gz DHAFQIGCLVYNHX-OQSMONGASA-N 2 0 323.525 2.765 20 0 DFADRP CC[NH+](CC)[C@H](CNC(=O)[C@H]1C[C@H](C)CC[NH2+]1)c1ccsc1 ZINC000423332787 429066843 /nfs/dbraw/zinc/06/68/43/429066843.db2.gz RDGZLDIUMTYBOK-FVQBIDKESA-N 2 0 323.506 2.635 20 0 DFADRP CC1CC[NH+](CCNC(=O)C(C)(C)[C@@H]([NH3+])c2ccccc2)CC1 ZINC000423339455 429067598 /nfs/dbraw/zinc/06/75/98/429067598.db2.gz VCQSKMBPLDBFON-KRWDZBQOSA-N 2 0 317.477 2.561 20 0 DFADRP CC[C@H](Cc1ccc(OC)c(OC)c1)[NH2+]CC1=CC[NH2+]CC1 ZINC000423348026 429068959 /nfs/dbraw/zinc/06/89/59/429068959.db2.gz RTOBOPXSJPELDS-MRXNPFEDSA-N 2 0 304.434 2.534 20 0 DFADRP CCC[NH+](CCC)CCCC(=O)N1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000423977558 429069475 /nfs/dbraw/zinc/06/94/75/429069475.db2.gz PWPSECDOCNEEQT-QZTJIDSGSA-N 2 0 323.525 2.879 20 0 DFADRP COc1cc(C)c(C[C@@H](C)[NH2+]C[C@]2(C)CCC[NH2+]C2)cc1OC ZINC000423351918 429070361 /nfs/dbraw/zinc/07/03/61/429070361.db2.gz ZVAWSDZHUMTSGQ-DNVCBOLYSA-N 2 0 320.477 2.923 20 0 DFADRP C[C@@H]1CC[NH2+]C[C@@H]1N[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000423361797 429071371 /nfs/dbraw/zinc/07/13/71/429071371.db2.gz MPIAIXSJBFSYEG-XLSIIYIISA-N 2 0 313.489 2.770 20 0 DFADRP COc1cc(C)c(C[C@H](C)[NH2+]C[C@@]2(C)CCC[NH2+]C2)cc1OC ZINC000423351920 429072241 /nfs/dbraw/zinc/07/22/41/429072241.db2.gz ZVAWSDZHUMTSGQ-KXBFYZLASA-N 2 0 320.477 2.923 20 0 DFADRP CC[N@H+](C)Cc1cccc(CNC(=O)[C@H]2[NH2+]CCCC2(C)C)c1 ZINC000423356675 429072254 /nfs/dbraw/zinc/07/22/54/429072254.db2.gz RCIQQRMCKMYACB-QGZVFWFLSA-N 2 0 317.477 2.533 20 0 DFADRP C[C@@H]1CC[NH2+]C[C@H]1N[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000423361796 429072788 /nfs/dbraw/zinc/07/27/88/429072788.db2.gz MPIAIXSJBFSYEG-XIKSMUEASA-N 2 0 313.489 2.770 20 0 DFADRP C[C@H](CCCC[NH3+])[NH2+][C@@H]1CNCC[C@@H]1c1ccc(F)c(F)c1 ZINC000423361932 429072935 /nfs/dbraw/zinc/07/29/35/429072935.db2.gz HDKUVJUIIJAEHF-SUYBPPKGSA-N 2 0 311.420 2.517 20 0 DFADRP COc1cc(C)c(C[C@H](C)[NH2+][C@@H]2CC[NH2+][C@@H](C)C2)cc1OC ZINC000423367957 429073643 /nfs/dbraw/zinc/07/36/43/429073643.db2.gz AWMRPFBOTDVXQO-OFQRWUPVSA-N 2 0 306.450 2.673 20 0 DFADRP C[C@H](Cc1ccccc1)[NH+]1CCC(N[C@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000423371992 429075197 /nfs/dbraw/zinc/07/51/97/429075197.db2.gz QSKCRWPSQRZINR-POAQFYNOSA-N 2 0 315.505 2.942 20 0 DFADRP c1cc(C[NH2+][C@@H]2CCC[C@H]([C@@H]3CCOC3)C2)cc2c1C[NH2+]C2 ZINC000423368971 429075215 /nfs/dbraw/zinc/07/52/15/429075215.db2.gz DPCKFTGVGOUUPG-KVSKMBFKSA-N 2 0 300.446 2.975 20 0 DFADRP C[C@@H]([NH2+][C@@H]1CC[NH2+][C@H](C)C1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000423380264 429076878 /nfs/dbraw/zinc/07/68/78/429076878.db2.gz NNJOCNFULVWCCL-PBFPGSCMSA-N 2 0 316.449 2.762 20 0 DFADRP C[C@@H]([NH3+])c1ccc(C(=O)NCC(C)(C)[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000423377441 429077938 /nfs/dbraw/zinc/07/79/38/429077938.db2.gz YSYSIEGUROAQBC-HUUCEWRRSA-N 2 0 317.477 2.947 20 0 DFADRP Cn1nccc1[C@H]1CCC[C@H]([NH2+]Cc2ccc3c(c2)C[NH2+]C3)C1 ZINC000423391751 429078452 /nfs/dbraw/zinc/07/84/52/429078452.db2.gz PREYUVOETXHLLG-YJBOKZPZSA-N 2 0 310.445 2.839 20 0 DFADRP CC(C)[C@H](C(=O)N1CCC[C@H](C[NH+]2CCCCCC2)C1)[C@H](C)[NH3+] ZINC000423385492 429080147 /nfs/dbraw/zinc/08/01/47/429080147.db2.gz QUOZSICCQINWLF-KSZLIROESA-N 2 0 323.525 2.720 20 0 DFADRP C[NH2+][C@H](C)CN[C@@H]1CCCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000423404940 429082047 /nfs/dbraw/zinc/08/20/47/429082047.db2.gz YJYWYFROLCZJFW-GSEOLPGOSA-N 2 0 315.505 2.875 20 0 DFADRP CCO[C@H]1C[C@H]([NH2+]CC2(COC)CC[NH2+]CC2)C12CCCCC2 ZINC000423413534 429083005 /nfs/dbraw/zinc/08/30/05/429083005.db2.gz ZJSGTEUNJDMPQU-IRXDYDNUSA-N 2 0 324.509 2.720 20 0 DFADRP COC[C@@]1(C[NH2+]C2CCC(OC3CCCC3)CC2)CCC[NH2+]1 ZINC000423409480 429083406 /nfs/dbraw/zinc/08/34/06/429083406.db2.gz BRVWADVSXTXYLF-VJFUWPCTSA-N 2 0 310.482 2.615 20 0 DFADRP C[C@@H]([NH2+]C[C@H]1CC[C@H](C[NH3+])CC1)c1ccc(-n2cncn2)cc1 ZINC000423419496 429085363 /nfs/dbraw/zinc/08/53/63/429085363.db2.gz IXWGKTGZOKGYTE-BZUAXINKSA-N 2 0 313.449 2.683 20 0 DFADRP C[C@H]([NH3+])c1ccc(C(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)cc1 ZINC000423427844 429087148 /nfs/dbraw/zinc/08/71/48/429087148.db2.gz NXQLXEOGCKKVOB-XJKSGUPXSA-N 2 0 305.466 2.803 20 0 DFADRP O=C(NC[C@@H]1CCCC[N@@H+]1C1CC1)[C@@H]1CCC[NH+]1C1CCCC1 ZINC000434448993 429088749 /nfs/dbraw/zinc/08/87/49/429088749.db2.gz UKDBQSMVCRBRLI-ROUUACIJSA-N 2 0 319.493 2.527 20 0 DFADRP CCC[NH+](CCC)CCCC(=O)N1C[C@@H]([NH3+])Cc2ccccc21 ZINC000424079852 429088880 /nfs/dbraw/zinc/08/88/80/429088880.db2.gz STFGDCJIUZYHDV-KRWDZBQOSA-N 2 0 317.477 2.805 20 0 DFADRP C[C@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1[NH2+]CCCC[NH+](C)C ZINC000494743118 429149432 /nfs/dbraw/zinc/14/94/32/429149432.db2.gz VVMNALFQGNKZQY-LSDHHAIUSA-N 2 0 313.486 2.563 20 0 DFADRP CC(C)[C@@H](NC(=O)CN(C)[C@H]1CCC[NH2+]CC1)c1ccccc1 ZINC000435616966 429152170 /nfs/dbraw/zinc/15/21/70/429152170.db2.gz VCTSTLOFMFFYQY-PKOBYXMFSA-N 2 0 317.477 2.574 20 0 DFADRP CCN(CC(=O)Nc1cc(C)cc(C)c1)[C@@H]1CCC[NH2+]CC1 ZINC000435614621 429152419 /nfs/dbraw/zinc/15/24/19/429152419.db2.gz MYPAOXNVOOAZCO-QGZVFWFLSA-N 2 0 303.450 2.706 20 0 DFADRP [NH3+][C@@H](CCC(=O)NC[C@H]1CC[N@@H+](C2CC2)C1)CC1CCCCC1 ZINC000424139832 429098082 /nfs/dbraw/zinc/09/80/82/429098082.db2.gz VQGLUQASPVCKSS-SJORKVTESA-N 2 0 321.509 2.665 20 0 DFADRP C[C@@H]([NH2+]C[C@H]1C[NH2+]CCCO1)C1CCC(C(F)(F)F)CC1 ZINC000423490888 429098513 /nfs/dbraw/zinc/09/85/13/429098513.db2.gz ISPHSSAZKWOQSV-BLYZHGLHSA-N 2 0 308.388 2.712 20 0 DFADRP C[NH+](C)C1CCN(C(=O)CC[C@H]([NH3+])CC2CCCCC2)CC1 ZINC000424139103 429098691 /nfs/dbraw/zinc/09/86/91/429098691.db2.gz DDSBBJUTJLTBCQ-INIZCTEOSA-N 2 0 309.498 2.617 20 0 DFADRP C[C@@H]1C[C@H](N[C@@H](C[NH3+])C2CCCC2)C[N@@H+]1Cc1ccccc1 ZINC000423497084 429099120 /nfs/dbraw/zinc/09/91/20/429099120.db2.gz FYXQYIUIFQDRQE-MNEFBYGVSA-N 2 0 301.478 2.757 20 0 DFADRP C[C@H]([NH2+][C@@H]1CC[C@H](C[NH3+])C1)c1ncc(Br)cc1F ZINC000423494076 429099686 /nfs/dbraw/zinc/09/96/86/429099686.db2.gz CTGCRQVJNMVZIJ-ATZCPNFKSA-N 2 0 316.218 2.761 20 0 DFADRP Fc1ccc2c(c1)CC[C@@H]2[NH2+]C1CCC([NH+]2CCNCC2)CC1 ZINC000423505955 429100530 /nfs/dbraw/zinc/10/05/30/429100530.db2.gz IFINXBBEBQLZSD-TVPLGVNVSA-N 2 0 317.452 2.619 20 0 DFADRP CCc1ccccc1[C@H]([NH3+])CN[C@@H]1CC[N@H+](C)[C@H]2CCC[C@H]21 ZINC000423508862 429103526 /nfs/dbraw/zinc/10/35/26/429103526.db2.gz QZJIAEYKSYORBB-MANSERQUSA-N 2 0 301.478 2.711 20 0 DFADRP [NH3+]CC[C@H]1CCCN(C(=O)CC[C@@H]([NH3+])CC2CCCCC2)C1 ZINC000424175732 429104063 /nfs/dbraw/zinc/10/40/63/429104063.db2.gz OAWKEHZPXKQUBB-IAGOWNOFSA-N 2 0 309.498 2.652 20 0 DFADRP C[C@H]1Cc2ccccc2[C@H]1[NH2+]C1CCC([NH+]2CCNCC2)CC1 ZINC000423510519 429104482 /nfs/dbraw/zinc/10/44/82/429104482.db2.gz MMRIKDLWASYYAN-ZPQVWODMSA-N 2 0 313.489 2.726 20 0 DFADRP CC[C@@H](c1ccc2c(c1)OCCO2)[N@@H+]1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000423515450 429106598 /nfs/dbraw/zinc/10/65/98/429106598.db2.gz VMXCJOLOEZCGJD-QIIPPGSGSA-N 2 0 304.434 2.826 20 0 DFADRP C[N@@H+]1CCC[C@H]1CC[NH+]1CCC(c2ncc3n2CCCC3)CC1 ZINC000434690258 429106759 /nfs/dbraw/zinc/10/67/59/429106759.db2.gz FSIZUVNZURPDCC-KRWDZBQOSA-N 2 0 316.493 2.883 20 0 DFADRP COC(=O)CCC[C@H]1CCC[C@@H]([N@@H+]2C[C@@H](C)[C@](C)(C[NH3+])C2)C1 ZINC000423517346 429107030 /nfs/dbraw/zinc/10/70/30/429107030.db2.gz XZIUOFBEKGCUGO-YFHUEUNASA-N 2 0 310.482 2.805 20 0 DFADRP CCC[C@@H]([NH2+]C1CCC([NH+]2CCNCC2)CC1)c1cccnc1 ZINC000423522214 429108478 /nfs/dbraw/zinc/10/84/78/429108478.db2.gz UEMCIJMNFWWPLU-CTWPCTMYSA-N 2 0 316.493 2.729 20 0 DFADRP CC(C)(C)OC(=O)C(C)(C)CC[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000424195002 429108601 /nfs/dbraw/zinc/10/86/01/429108601.db2.gz YJZZSEMGSUOIJK-LSDHHAIUSA-N 2 0 310.482 2.961 20 0 DFADRP CC[C@H]([NH2+]C1CCC([NH+]2CCNCC2)CC1)c1ccccc1 ZINC000423525796 429109479 /nfs/dbraw/zinc/10/94/79/429109479.db2.gz YQDNJCXOWMCHDE-ACBHZAAOSA-N 2 0 301.478 2.944 20 0 DFADRP Cc1ccccc1[C@H](C)[NH2+]C1CCC([NH+]2CCNCC2)CC1 ZINC000423526643 429109540 /nfs/dbraw/zinc/10/95/40/429109540.db2.gz ZVOVEKBNQBUCPU-AOCRQIFASA-N 2 0 301.478 2.862 20 0 DFADRP CN1CC[C@@H](C[N@H+](C)CC[C@H]2CCCCO2)[C@@H]1c1cccnc1 ZINC000434743714 429109862 /nfs/dbraw/zinc/10/98/62/429109862.db2.gz RGBSPSYMZJYTJU-OTWHNJEPSA-N 2 0 317.477 2.965 20 0 DFADRP CO[C@@H]1[C@@H](C)[C@@H]([NH2+]CC2([NH3+])C3CC4CC(C3)CC2C4)C12CCC2 ZINC000423530667 429110078 /nfs/dbraw/zinc/11/00/78/429110078.db2.gz RQPBSRWONAMDJV-RNKSQCJXSA-N 2 0 318.505 2.933 20 0 DFADRP CCO[C@@H]1C[C@H]([NH2+]CC2([NH3+])C3CC4CC(C3)CC2C4)C1(C)C ZINC000423531594 429110089 /nfs/dbraw/zinc/11/00/89/429110089.db2.gz SXAXCJLZKKJJQS-YHVXMNOBSA-N 2 0 306.494 2.933 20 0 DFADRP COC(=O)CC1CC([NH2+]CCCC[NH+]2C[C@H](C)C[C@@H](C)C2)C1 ZINC000424273136 429117735 /nfs/dbraw/zinc/11/77/35/429117735.db2.gz VZQRXFCDZNWCLM-NUWOQIAWSA-N 2 0 310.482 2.676 20 0 DFADRP C[N@H+](CC1CC1)C[C@H]1CCN(C[C@H](C[NH3+])c2ccc(F)cc2)C1 ZINC000424275996 429118028 /nfs/dbraw/zinc/11/80/28/429118028.db2.gz BLZVVAKIUKDVAW-AEFFLSMTSA-N 2 0 319.468 2.532 20 0 DFADRP C[C@@H]1CC2(C[N@@H+]1CC(=O)NCCC1CCCCC1)CC[NH2+]CC2 ZINC000424284121 429119562 /nfs/dbraw/zinc/11/95/62/429119562.db2.gz CONCCYLTNHRGEW-MRXNPFEDSA-N 2 0 321.509 2.537 20 0 DFADRP C[C@@H]1CC2(C[N@@H+]1Cc1ccc(Br)cn1)CC[NH2+]CC2 ZINC000424283249 429119834 /nfs/dbraw/zinc/11/98/34/429119834.db2.gz BDOZQFWQTUWFKL-GFCCVEGCSA-N 2 0 324.266 2.808 20 0 DFADRP CC(C)CCC[C@@H](C)NC(=O)C[N@@H+]1CC2(C[C@@H]1C)CC[NH2+]CC2 ZINC000424297391 429120969 /nfs/dbraw/zinc/12/09/69/429120969.db2.gz SNIJMYNOXHGBIQ-SJORKVTESA-N 2 0 323.525 2.781 20 0 DFADRP COC(=O)c1ccc(F)c(C[N@@H+]2CC3(C[C@H]2C)CC[NH2+]CC3)c1 ZINC000424299010 429122705 /nfs/dbraw/zinc/12/27/05/429122705.db2.gz VIULVYMTLCNSDM-CYBMUJFWSA-N 2 0 320.408 2.576 20 0 DFADRP [NH3+]C[C@H](C[N@@H+]1CCCC[C@@H]1c1cn[nH]c1)c1ccc(F)cc1 ZINC000424305452 429123026 /nfs/dbraw/zinc/12/30/26/429123026.db2.gz SIHGJTOHKPTYBP-RHSMWYFYSA-N 2 0 302.397 2.818 20 0 DFADRP [NH3+]C[C@@H](C[N@@H+]1CCCC[C@H]1c1cn[nH]c1)c1ccc(F)cc1 ZINC000424305454 429123154 /nfs/dbraw/zinc/12/31/54/429123154.db2.gz SIHGJTOHKPTYBP-YOEHRIQHSA-N 2 0 302.397 2.818 20 0 DFADRP Cc1cccc(NC(=O)C[N@H+]2CC3(C[C@@H]2C)CC[NH2+]CC3)c1C ZINC000424302505 429123340 /nfs/dbraw/zinc/12/33/40/429123340.db2.gz ZRNROZUIYVGNIE-HNNXBMFYSA-N 2 0 315.461 2.706 20 0 DFADRP c1ccc(CN2CC[C@H]3C[N@@H+](CC[C@@H]4CCC[NH2+]C4)C[C@H]32)cc1 ZINC000424329384 429127741 /nfs/dbraw/zinc/12/77/41/429127741.db2.gz GHSCHHKSZLKJTC-YSIASYRMSA-N 2 0 313.489 2.582 20 0 DFADRP C[C@@H](N[C@@H]1CCCC[C@H]1[NH3+])[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000424378161 429130790 /nfs/dbraw/zinc/13/07/90/429130790.db2.gz SJHUJGBQTFCHOG-NXWXRZEISA-N 2 0 301.478 2.757 20 0 DFADRP C[C@@H]1C[C@@H](N[C@@H]2CCCC[C@H]2[NH3+])CC[N@@H+]1Cc1ccccc1 ZINC000424367990 429131566 /nfs/dbraw/zinc/13/15/66/429131566.db2.gz OINSZJKNADNPGO-QXCFHYIPSA-N 2 0 301.478 2.899 20 0 DFADRP COc1cccc(C[N@@H+]2CC3(C[C@@H]2C)CC[NH2+]CC3)c1OC ZINC000424378503 429132423 /nfs/dbraw/zinc/13/24/23/429132423.db2.gz NHOKWFRXAMVKJW-AWEZNQCLSA-N 2 0 304.434 2.668 20 0 DFADRP C[C@H]([NH3+])[C@H]1CC[N@H+](Cc2ccccc2OCc2cccnc2)C1 ZINC000435374381 429132788 /nfs/dbraw/zinc/13/27/88/429132788.db2.gz IMOYDYRQEAZEEU-RDJZCZTQSA-N 2 0 311.429 2.830 20 0 DFADRP Cc1ccc(F)c(C[NH+]2CCC(n3ncc4c3C[NH2+]C4)CC2)c1 ZINC000424386552 429133677 /nfs/dbraw/zinc/13/36/77/429133677.db2.gz XKEBTSXMJKDGJI-UHFFFAOYSA-N 2 0 314.408 2.771 20 0 DFADRP C[C@@H]([NH3+])[C@@H]1CC[N@H+](Cc2ccccc2OCc2cccnc2)C1 ZINC000435374380 429134430 /nfs/dbraw/zinc/13/44/30/429134430.db2.gz IMOYDYRQEAZEEU-NVXWUHKLSA-N 2 0 311.429 2.830 20 0 DFADRP C[C@H]1CC[C@@H](C[N@H+](C)C2CCN(Cc3ccncc3)CC2)O1 ZINC000376559951 429136008 /nfs/dbraw/zinc/13/60/08/429136008.db2.gz AZONGGDMMSVCAN-YJBOKZPZSA-N 2 0 303.450 2.545 20 0 DFADRP C[N@H+](Cc1ccc(Oc2cnccn2)cc1)[C@@H]1CCC[NH2+]CC1 ZINC000435436695 429141739 /nfs/dbraw/zinc/14/17/39/429141739.db2.gz HBVBHIHUMAFHJM-MRXNPFEDSA-N 2 0 312.417 2.843 20 0 DFADRP CC[NH+]1CCN(Cc2ccc(C[NH2+][C@@H]3C[C@@H](C)[C@@H]3C)cc2)CC1 ZINC000494890036 429161489 /nfs/dbraw/zinc/16/14/89/429161489.db2.gz LWPLMJIOOLQLAZ-FUHIMQAGSA-N 2 0 315.505 2.958 20 0 DFADRP CC[NH+]1CCN(Cc2ccc(C[NH2+][C@@H]3C[C@H](C)[C@@H]3C)cc2)CC1 ZINC000494890035 429161743 /nfs/dbraw/zinc/16/17/43/429161743.db2.gz LWPLMJIOOLQLAZ-ABSDTBQOSA-N 2 0 315.505 2.958 20 0 DFADRP C[C@@H]1C[C@@H](NC[C@H]2CCC[NH+]2C2CCCCC2)C[N@@H+]1C1CC1 ZINC000435749090 429163078 /nfs/dbraw/zinc/16/30/78/429163078.db2.gz RDDLEQULLCYBKM-GPMSIDNRSA-N 2 0 305.510 2.998 20 0 DFADRP C[C@@H]1C[C@H]([NH2+]Cc2ccccc2C[N@@H+]2CCC[C@H]2CO)[C@H]1C ZINC000494994652 429169944 /nfs/dbraw/zinc/16/99/44/429169944.db2.gz ILZXPFHFEPKWTQ-PDWMJMLSSA-N 2 0 302.462 2.777 20 0 DFADRP O[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000272612504 275052924 /nfs/dbraw/zinc/05/29/24/275052924.db2.gz WOBKMHWOVIVDIS-MFKWGIFDSA-N 2 0 314.473 2.790 20 0 DFADRP C(=C/c1ccncc1)\C[NH2+]CC1CCN(c2cc[nH+]cc2)CC1 ZINC000487532824 429159616 /nfs/dbraw/zinc/15/96/16/429159616.db2.gz DESCFTYSQRIITG-OWOJBTEDSA-N 2 0 308.429 2.996 20 0 DFADRP C([NH+]1CCC[C@@H]1C1CC1)C1(C[N@@H+]2CCC[C@H]2C2CC2)COC1 ZINC000367794166 275394249 /nfs/dbraw/zinc/39/42/49/275394249.db2.gz KYPPRJKTQGFDON-HDICACEKSA-N 2 0 304.478 2.752 20 0 DFADRP C[NH+](C)CC(C)(C)NC(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C ZINC000455840297 429217052 /nfs/dbraw/zinc/21/70/52/429217052.db2.gz DFPDWZPWWROTOF-MRXNPFEDSA-N 2 0 318.465 2.697 20 0 DFADRP CCC[NH+]1CCC([NH2+][C@@H]2c3ccccc3CC[C@@H]2CO)CC1 ZINC000364583313 429228937 /nfs/dbraw/zinc/22/89/37/429228937.db2.gz VCWVTXUPMSCBNA-APWZRJJASA-N 2 0 302.462 2.746 20 0 DFADRP CCC[NH+]1CCC([NH2+][C@H]2c3ccccc3CC[C@H]2CO)CC1 ZINC000364583315 429229826 /nfs/dbraw/zinc/22/98/26/429229826.db2.gz VCWVTXUPMSCBNA-QFBILLFUSA-N 2 0 302.462 2.746 20 0 DFADRP COCc1ccccc1NC(=[NH2+])NCC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000364407223 429199319 /nfs/dbraw/zinc/19/93/19/429199319.db2.gz HXIRTJOOJWBALL-VHRNVKJDSA-N 2 0 316.449 2.642 20 0 DFADRP CC(C)[N@H+](C)CC(=O)N(CC[NH+]1CCCCCC1)C1CCC1 ZINC000488870769 429203557 /nfs/dbraw/zinc/20/35/57/429203557.db2.gz OMJBOCDZOCAVBL-UHFFFAOYSA-N 2 0 309.498 2.584 20 0 DFADRP C[N@H+](CCC(=O)Nc1cc(F)cc(F)c1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000442769289 429234086 /nfs/dbraw/zinc/23/40/86/429234086.db2.gz VNPAPSQYDXIOTQ-MZBDJJRSSA-N 2 0 323.387 2.508 20 0 DFADRP Cc1ccc2nc(CN3C[C@@H]4C[N@@H+]5CCCC[C@@H]5[C@@H]4C3)cn2c1 ZINC000364628428 429235817 /nfs/dbraw/zinc/23/58/17/429235817.db2.gz LIENXRQOLQIHDI-KBAYOESNSA-N 2 0 310.445 2.559 20 0 DFADRP [NH3+]CC[C@H]1CCC[N@H+](Cc2cnn(-c3ccc(F)cc3)c2)C1 ZINC000442930095 429240945 /nfs/dbraw/zinc/24/09/45/429240945.db2.gz SPDOHWKPFGVSCF-CQSZACIVSA-N 2 0 302.397 2.572 20 0 DFADRP [NH3+]CC[C@@H]1CCC[N@H+](Cc2c(F)cccc2N2CCCC2)C1 ZINC000442925376 429241624 /nfs/dbraw/zinc/24/16/24/429241624.db2.gz VERTWVJEMHJDPB-HNNXBMFYSA-N 2 0 305.441 2.987 20 0 DFADRP Cc1ccnc(NC[C@H]2CC[N@H+](C[C@@H](O)c3ccccc3)C2)c1 ZINC000364728488 429258189 /nfs/dbraw/zinc/25/81/89/429258189.db2.gz SVKTVSYHXKAYGP-SJLPKXTDSA-N 2 0 311.429 2.857 20 0 DFADRP CS[C@@H]1CC[C@@H]1[NH2+]Cc1ccccc1C[N@@H+]1CCC[C@@H]1CO ZINC000425343015 429268169 /nfs/dbraw/zinc/26/81/69/429268169.db2.gz HWJAWZXYFZDLJU-FGTMMUONSA-N 2 0 320.502 2.627 20 0 DFADRP CS[C@@H]1CC[C@H]1[NH2+]Cc1ccccc1C[N@@H+]1CCC[C@@H]1CO ZINC000425343016 429268609 /nfs/dbraw/zinc/26/86/09/429268609.db2.gz HWJAWZXYFZDLJU-KZNAEPCWSA-N 2 0 320.502 2.627 20 0 DFADRP C[C@@H]1CC[C@H](C)[C@@H]([NH2+]Cc2ccc(N3CC[NH+](C)CC3)nc2)C1 ZINC000449072394 429324047 /nfs/dbraw/zinc/32/40/47/429324047.db2.gz JZKINRIZTNMNSR-RYRKJORJSA-N 2 0 316.493 2.748 20 0 DFADRP Cc1ccccc1[C@H]([NH3+])C(=O)NC[C@@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC000449096756 429331351 /nfs/dbraw/zinc/33/13/51/429331351.db2.gz AEVFFSXSNADVDI-DKSSEZFCSA-N 2 0 317.477 2.622 20 0 DFADRP CC[N@H+](C)CCNC1CC[NH+]([C@H](C)Cc2ccccc2)CC1 ZINC000449105433 429333746 /nfs/dbraw/zinc/33/37/46/429333746.db2.gz DLOBOUPGKAVDIQ-QGZVFWFLSA-N 2 0 303.494 2.623 20 0 DFADRP Cc1cnn(CCCCC[N@@H+]2C[C@@H]3C[NH+]4CCCC[C@H]4[C@H]3C2)c1 ZINC000365535755 429337510 /nfs/dbraw/zinc/33/75/10/429337510.db2.gz IFCQRCPFSWOYTA-QYZOEREBSA-N 2 0 316.493 2.778 20 0 DFADRP C[C@@H](C[NH2+]Cc1cc(Cl)sc1Cl)N1CC[NH+](C)CC1 ZINC000449134248 429339714 /nfs/dbraw/zinc/33/97/14/429339714.db2.gz HSKQQUGOIKBEPU-JTQLQIEISA-N 2 0 322.305 2.780 20 0 DFADRP CN1C[C@@H]([NH2+]C2CC[NH+](C(C)(C)CC(C)(C)C)CC2)CCC1=O ZINC000449159518 429347925 /nfs/dbraw/zinc/34/79/25/429347925.db2.gz GYHUSXRZCUUWPI-INIZCTEOSA-N 2 0 323.525 2.876 20 0 DFADRP O[C@@H](Cc1ccccc1)C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000425415821 429290523 /nfs/dbraw/zinc/29/05/23/429290523.db2.gz FVYGLUJEYNXFLD-HOJAQTOUSA-N 2 0 314.473 2.539 20 0 DFADRP CO[C@H](C[N@H+](C)[C@H]1CCC[NH+](C[C@@H](OC)C2CC2)CC1)C1CC1 ZINC000425425793 429293905 /nfs/dbraw/zinc/29/39/05/429293905.db2.gz UWFRSDZTODFGGS-IPMKNSEASA-N 2 0 324.509 2.623 20 0 DFADRP CNC(=O)OC[C@@H]1CCCC[N@@H+]1CCCc1ccc(C)nc1 ZINC000495947067 429297490 /nfs/dbraw/zinc/29/74/90/429297490.db2.gz OKMWZESHBLQVMS-INIZCTEOSA-N 2 0 305.422 2.533 20 0 DFADRP CCC[NH+](CCC)CCCC(=O)N1CCC[C@@H]([NH+](C)C)CC1 ZINC000365307895 429299210 /nfs/dbraw/zinc/29/92/10/429299210.db2.gz YYSFWBAHGRCVNN-QGZVFWFLSA-N 2 0 311.514 2.831 20 0 DFADRP CO[C@@H](C[NH+]1CCN(c2cc[nH+]c3ccccc32)CC1)C1CC1 ZINC000425463843 429303656 /nfs/dbraw/zinc/30/36/56/429303656.db2.gz YSFNZJPUPQAOMB-IBGZPJMESA-N 2 0 311.429 2.782 20 0 DFADRP C[C@@H]1C[C@@H](C[NH2+]CCC[NH+](C)C)CCN1C(=O)OC(C)(C)C ZINC000496089040 429305354 /nfs/dbraw/zinc/30/53/54/429305354.db2.gz AZYNXLWJKPSYFQ-CABCVRRESA-N 2 0 313.486 2.563 20 0 DFADRP C([NH+]1CC[C@@H]2CCC[C@H]21)C1(C[N@@H+]2CC[C@H]3CCC[C@@H]32)COC1 ZINC000426457189 429392621 /nfs/dbraw/zinc/39/26/21/429392621.db2.gz XRLJZTPEUWROFE-FZDBZEDMSA-N 2 0 304.478 2.752 20 0 DFADRP CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)C[C@H]2CCCC[C@@H]2[NH3+])C1 ZINC000449347688 429395404 /nfs/dbraw/zinc/39/54/04/429395404.db2.gz DGQPRBAXRDDTFQ-ZACQAIPSSA-N 2 0 323.525 2.911 20 0 DFADRP CC(C)[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC000457118312 429408177 /nfs/dbraw/zinc/40/81/77/429408177.db2.gz MPNWKDUJNCCITD-AEFFLSMTSA-N 2 0 321.509 2.582 20 0 DFADRP C[C@H](O)CCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000366024233 429408480 /nfs/dbraw/zinc/40/84/80/429408480.db2.gz KZTJKSZOCQADPN-UXDRXVOSSA-N 2 0 302.462 2.933 20 0 DFADRP CC[NH+](CC)CCC[C@H](C)[NH2+]Cc1cc(C2CC[NH2+]CC2)no1 ZINC000425903380 429350125 /nfs/dbraw/zinc/35/01/25/429350125.db2.gz VZJWHVJYYRGKDS-HNNXBMFYSA-N 3 0 322.497 2.742 20 0 DFADRP CCC[NH+](CCC)CCCNCc1cc(C2CC[NH2+]CC2)no1 ZINC000425904730 429350856 /nfs/dbraw/zinc/35/08/56/429350856.db2.gz ZXISENYWAQEIIC-UHFFFAOYSA-N 2 0 322.497 2.743 20 0 DFADRP CC[N@@H+]1CCC[C@H](C[NH2+][C@H]2CCc3c(cccc3OC)C2)C1 ZINC000425945420 429352189 /nfs/dbraw/zinc/35/21/89/429352189.db2.gz QPFJXFBIWHUXRK-WBVHZDCISA-N 2 0 302.462 2.874 20 0 DFADRP C[C@H](CCCO)[NH2+]C1CC[NH+]([C@H](C)Cc2ccccc2)CC1 ZINC000449184000 429352496 /nfs/dbraw/zinc/35/24/96/429352496.db2.gz FDFIRECTZPLFIQ-IAGOWNOFSA-N 2 0 304.478 2.833 20 0 DFADRP C[C@@H](Cc1ccccc1)[NH+]1CCC([NH2+][C@H]2CC[C@H](O)CC2)CC1 ZINC000449210864 429357866 /nfs/dbraw/zinc/35/78/66/429357866.db2.gz HKDTXKHYWXFRKB-QRFRQXIXSA-N 2 0 316.489 2.975 20 0 DFADRP CCn1nnc(C)c1C[NH2+]Cc1ccccc1C[N@H+](C)C(C)C ZINC000449217758 429359557 /nfs/dbraw/zinc/35/95/57/429359557.db2.gz BORWBVROGRSINT-UHFFFAOYSA-N 2 0 315.465 2.736 20 0 DFADRP C(CC1CC[NH+](C[C@@H]2CCSC2)CC1)C[NH+]1CCOCC1 ZINC000426162052 429370255 /nfs/dbraw/zinc/37/02/55/429370255.db2.gz OODRLKUUVBBGLM-KRWDZBQOSA-N 2 0 312.523 2.564 20 0 DFADRP C[C@@H](C[NH2+]Cc1ccc(OCC(F)(F)F)cc1)C[NH+](C)C ZINC000491588414 429377418 /nfs/dbraw/zinc/37/74/18/429377418.db2.gz IFZDQABVXPVELI-LBPRGKRZSA-N 2 0 304.356 2.915 20 0 DFADRP CC(C)c1nnc(CC[NH2+][C@@H]2CC[N@H+](C)[C@@H]3CCC[C@H]32)s1 ZINC000426290604 429380418 /nfs/dbraw/zinc/38/04/18/429380418.db2.gz PSDCDAOKWFWRCN-BFHYXJOUSA-N 2 0 308.495 2.666 20 0 DFADRP CSCC1CCC([NH2+]CCN2CC[N@H+](C)C(C)(C)C2)CC1 ZINC000449300113 429382464 /nfs/dbraw/zinc/38/24/64/429382464.db2.gz CRWXTRSLRAOYEU-UHFFFAOYSA-N 2 0 313.555 2.524 20 0 DFADRP C[NH+](C)Cc1ccc(NC(=O)[C@@H]2C[C@@H]3CCCC[N@@H+]3C2)cc1 ZINC000365841516 429383479 /nfs/dbraw/zinc/38/34/79/429383479.db2.gz PKDMLCBWRNWEIT-WBVHZDCISA-N 2 0 301.434 2.561 20 0 DFADRP Cc1cccc(CC[N@@H+]2CCN(C3CC[NH+](C)CC3)[C@H](C)C2)c1 ZINC000449326338 429387718 /nfs/dbraw/zinc/38/77/18/429387718.db2.gz UUSSZQAHURVTRK-GOSISDBHSA-N 2 0 315.505 2.638 20 0 DFADRP Cc1cc(-n2ccnc2)ccc1C[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000366532989 429470700 /nfs/dbraw/zinc/47/07/00/429470700.db2.gz GPIKUZMOPLYXLO-IBGZPJMESA-N 2 0 310.445 2.708 20 0 DFADRP CCC[NH+](CCC)CCCC(=O)N1CCC[C@H]2C[N@H+](C)CC[C@H]21 ZINC000366328261 429447127 /nfs/dbraw/zinc/44/71/27/429447127.db2.gz ULTHHEQIRMGRAS-ZWKOTPCHSA-N 2 0 323.525 2.831 20 0 DFADRP CC[C@@H]([NH2+]C1CC([NH+]2CCCCC2)C1)C1(C(=O)OC)CCC1 ZINC000366431021 429451149 /nfs/dbraw/zinc/45/11/49/429451149.db2.gz JQWREPVUMIMOTO-UYSNPLJNSA-N 2 0 308.466 2.715 20 0 DFADRP C[C@H](Cc1cnn(C)c1)[NH2+]C1CC[NH+]([C@H]2CCCC[C@@H]2C)CC1 ZINC000449582678 429456742 /nfs/dbraw/zinc/45/67/42/429456742.db2.gz GXHXVZUUOJSAOU-FCEWJHQRSA-N 2 0 318.509 2.984 20 0 DFADRP CNC(=O)C[C@H](C)[NH2+]C1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC000449605743 429459878 /nfs/dbraw/zinc/45/98/78/429459878.db2.gz XCJAKPAUEISMMK-AWEZNQCLSA-N 2 0 311.514 2.780 20 0 DFADRP CC[C@H](NC(=O)CN1CC[C@@H]([NH3+])C[C@@H]1C)c1ccc(Cl)cc1 ZINC000519540845 429463386 /nfs/dbraw/zinc/46/33/86/429463386.db2.gz CSGDVQFRYYSACW-MAZHCROVSA-N 2 0 323.868 2.719 20 0 DFADRP C[NH+](C)CCOc1ccc(C[NH2+]Cc2ccc3[nH]cnc3c2)cc1 ZINC000518272596 429415758 /nfs/dbraw/zinc/41/57/58/429415758.db2.gz LHQCTOZDIUEWPE-UHFFFAOYSA-N 2 0 324.428 2.793 20 0 DFADRP CCOCCC[NH+]1CCC(CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000426809564 429416839 /nfs/dbraw/zinc/41/68/39/429416839.db2.gz FGCDVHIOLXMTRY-CALCHBBNSA-N 2 0 312.498 2.624 20 0 DFADRP CO[C@@H]1COCC[C@@H]1C[NH2+]C1CC[NH+]([C@H]2CCC[C@@H](C)C2)CC1 ZINC000449462488 429425354 /nfs/dbraw/zinc/42/53/54/429425354.db2.gz VHTUOSKRJPMMFP-ZAWLATJESA-N 2 0 324.509 2.671 20 0 DFADRP CCCC[N@@H+]1CCCC[C@H]1CNC(=O)[C@@H](CCC)[NH2+]C(C)C ZINC000491900257 429430858 /nfs/dbraw/zinc/43/08/58/429430858.db2.gz DMXMVYZOZCWSOK-DLBZAZTESA-N 2 0 311.514 2.924 20 0 DFADRP Cc1nc(C(C)C)oc1C[NH+]1CCC(C[NH+]2CCOCC2)CC1 ZINC000428466793 429528181 /nfs/dbraw/zinc/52/81/81/429528181.db2.gz WGHFSGMXTRFBPX-UHFFFAOYSA-N 2 0 321.465 2.651 20 0 DFADRP CCC[N@H+](CC)Cc1ccc(C(=O)N(C)C2(C[NH3+])CCC2)cc1 ZINC000449688873 429481621 /nfs/dbraw/zinc/48/16/21/429481621.db2.gz WPXUPQRQQGTTFK-UHFFFAOYSA-N 2 0 317.477 2.872 20 0 DFADRP CC[NH+](CC)[C@@H](CNC(=O)C[C@H]1CCC[NH2+]C1)c1ccsc1 ZINC000520838226 429530436 /nfs/dbraw/zinc/53/04/36/429530436.db2.gz UKAXJUPJAPQURV-ZBFHGGJFSA-N 2 0 323.506 2.637 20 0 DFADRP O[C@@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)C1CCC1 ZINC000449740861 429493168 /nfs/dbraw/zinc/49/31/68/429493168.db2.gz RKDZAJIEBFIQOG-NXEWRWPSSA-N 2 0 314.473 2.933 20 0 DFADRP [NH3+][C@@H]1CCC[C@H]([NH2+]CCOc2ccccc2C(F)(F)F)C1 ZINC000519833200 429493923 /nfs/dbraw/zinc/49/39/23/429493923.db2.gz BPPHHLUWBKDQPK-NEPJUHHUSA-N 2 0 302.340 2.944 20 0 DFADRP Cc1cnc([C@H](C)[N@@H+]2CC[C@H](CNc3cccc(C)[nH+]3)C2)cn1 ZINC000428237633 429503285 /nfs/dbraw/zinc/50/32/85/429503285.db2.gz BJMBLXFJECBTKH-JKSUJKDBSA-N 2 0 311.433 2.983 20 0 DFADRP CCC1(CNC(=[NH2+])NC2CC2)CC[NH+](Cc2ccccc2)CC1 ZINC000366755299 429507779 /nfs/dbraw/zinc/50/77/79/429507779.db2.gz AFCTZFOOWFQXAM-UHFFFAOYSA-N 2 0 314.477 2.955 20 0 DFADRP COc1cc(F)cc(C[C@H](C)[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000449783047 429509719 /nfs/dbraw/zinc/50/97/19/429509719.db2.gz MVZCPRYGSWYFGY-XKQJLSEDSA-N 2 0 306.425 2.982 20 0 DFADRP Cc1cnc([C@H](C)N2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cn1 ZINC000428386420 429515873 /nfs/dbraw/zinc/51/58/73/429515873.db2.gz DKROMDBRJMMTAU-HDMKZQKVSA-N 2 0 300.450 2.795 20 0 DFADRP C[NH+]1CC[C@H](NC[C@H]2CCC[N@@H+](C)C2)C[C@H]1c1ccccc1 ZINC000521414164 429550826 /nfs/dbraw/zinc/55/08/26/429550826.db2.gz YTJZGJUWBVGUFP-NEWSRXKRSA-N 2 0 301.478 2.753 20 0 DFADRP OCC[NH+]1CCC(C[NH2+]Cc2ccc(C(F)(F)F)s2)CC1 ZINC000428869853 429557975 /nfs/dbraw/zinc/55/79/75/429557975.db2.gz CQGYHMBFOAWYFK-UHFFFAOYSA-N 2 0 322.396 2.561 20 0 DFADRP CCC[C@H](C(=O)NC[C@H]1CC[N@H+](C)[C@@H]1c1cccs1)[NH+](C)C ZINC000367052058 429565048 /nfs/dbraw/zinc/56/50/48/429565048.db2.gz HMFUUCHJPZBINA-FMKPAKJESA-N 2 0 323.506 2.587 20 0 DFADRP CC(C)[NH+]1CCN(CCC[N@@H+]2CC[C@H]2c2ccccc2F)CC1 ZINC000367058306 429567873 /nfs/dbraw/zinc/56/78/73/429567873.db2.gz RYLDEPDJPURZKS-IBGZPJMESA-N 2 0 319.468 2.989 20 0 DFADRP Cc1nccn1CCCC[N@H+]1CCN([C@@H]2C[C@@H]2C)C[C@@H](C)C1 ZINC000429024190 429573751 /nfs/dbraw/zinc/57/37/51/429573751.db2.gz WSTYBVQHHNFATJ-XYJFISCASA-N 2 0 304.482 2.634 20 0 DFADRP COCCN(C)C[C@@H](O)C[NH2+]C(C)(C)CC1CCCCCC1 ZINC000522011203 429575540 /nfs/dbraw/zinc/57/55/40/429575540.db2.gz SWMTUHIBTYBXTD-KRWDZBQOSA-N 2 0 314.514 2.654 20 0 DFADRP C[C@@H](c1ccccc1)[C@H](O)C[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000450265374 429587312 /nfs/dbraw/zinc/58/73/12/429587312.db2.gz XLFDFILZERYZNR-FXAWDEMLSA-N 2 0 316.489 2.959 20 0 DFADRP CCC[NH+]1CCC(N(C)C[C@H](C)NC(=O)OC(C)(C)C)CC1 ZINC000492438749 429538440 /nfs/dbraw/zinc/53/84/40/429538440.db2.gz UHYGJKVFFOZWTP-AWEZNQCLSA-N 2 0 313.486 2.706 20 0 DFADRP C[N@@H+](Cc1ccn(C2CCCC2)n1)C[C@H]1CCn2ccnc2C1 ZINC000366950717 429545570 /nfs/dbraw/zinc/54/55/70/429545570.db2.gz GNKTVWODFDBSEZ-HNNXBMFYSA-N 2 0 313.449 2.889 20 0 DFADRP CCc1noc([C@@H](C)N2CCC3(C[C@H]3C[N@H+](C)C3CC3)CC2)n1 ZINC000367309499 429617644 /nfs/dbraw/zinc/61/76/44/429617644.db2.gz JBFOXYBQIQFJNE-KGLIPLIRSA-N 2 0 318.465 2.889 20 0 DFADRP CCc1noc([C@H](C)N2CCC3(C[C@@H]3C[N@H+](C)C3CC3)CC2)n1 ZINC000367309500 429618057 /nfs/dbraw/zinc/61/80/57/429618057.db2.gz JBFOXYBQIQFJNE-UONOGXRCSA-N 2 0 318.465 2.889 20 0 DFADRP CC[NH+](CC)[C@H](C(=O)NCC[N@@H+]1CC[C@H](C)C1)c1ccccc1 ZINC000524720216 429630373 /nfs/dbraw/zinc/63/03/73/429630373.db2.gz CVTZXTHGHTWIFC-WMZOPIPTSA-N 2 0 317.477 2.528 20 0 DFADRP CC[NH+](CC)C[C@@H]1CC[N@H+](C[C@@H](O)[C@H](C)c2ccccc2)C1 ZINC000450461209 429632366 /nfs/dbraw/zinc/63/23/66/429632366.db2.gz VDIVKOMRZKWBAL-ZIFCJYIRSA-N 2 0 304.478 2.815 20 0 DFADRP CC[N@@H+]1CC[C@@H](N(C)Cc2ccn(CC(F)(F)F)n2)[C@@H](C)C1 ZINC000450574095 429651386 /nfs/dbraw/zinc/65/13/86/429651386.db2.gz ZDEDGFLMXDWESP-GXTWGEPZSA-N 2 0 318.387 2.608 20 0 DFADRP Cc1cccc(NC(=O)C[N@H+]2CCCC3(CC[NH+](C)CC3)C2)c1 ZINC000367201668 429595820 /nfs/dbraw/zinc/59/58/20/429595820.db2.gz UPJLJTSXRZWUGY-UHFFFAOYSA-N 2 0 315.461 2.741 20 0 DFADRP CC(C)[NH+]1CCC([N@H+](C)C[C@H](O)[C@H](C)c2ccccc2)CC1 ZINC000450340142 429605024 /nfs/dbraw/zinc/60/50/24/429605024.db2.gz UPOBZVYIJRXJLB-APWZRJJASA-N 2 0 304.478 2.956 20 0 DFADRP COC1(C[C@H](C)[NH2+]C2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)CCC1 ZINC000429419389 429607274 /nfs/dbraw/zinc/60/72/74/429607274.db2.gz QTPDJSKLVBVWEP-RYQLBKOJSA-N 2 0 324.509 2.692 20 0 DFADRP C[C@@H](O)C[N@H+](C)C1CC[NH+](C[C@H]2CCCCC2(F)F)CC1 ZINC000450373329 429612338 /nfs/dbraw/zinc/61/23/38/429612338.db2.gz TXIQXSJZDGWWCK-ZIAGYGMSSA-N 2 0 304.425 2.589 20 0 DFADRP C[C@H]([NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1)c1cccc(-n2ccnn2)c1 ZINC000367490186 429659446 /nfs/dbraw/zinc/65/94/46/429659446.db2.gz NIGVBDWMGNRWNW-XIRDDKMYSA-N 2 0 311.433 2.545 20 0 DFADRP CC(C)[NH+]1CCN(C2CC[NH+](CC3=CCCCC3)CC2)CC1 ZINC000450636005 429667222 /nfs/dbraw/zinc/66/72/22/429667222.db2.gz LMYIQCPTOQNWLI-UHFFFAOYSA-N 2 0 305.510 2.977 20 0 DFADRP C[N@H+](CCN1CCC2(CCC[NH+]2C)CC1)Cc1ccccc1 ZINC000450642461 429667849 /nfs/dbraw/zinc/66/78/49/429667849.db2.gz IEONBFNTMKPRTN-UHFFFAOYSA-N 2 0 301.478 2.679 20 0 DFADRP CC(C)[C@H]1OCC[C@@H]1C[NH2+][C@@H]1CC[N@H+](C[C@H]2CCCO2)C[C@H]1C ZINC000373206568 276035982 /nfs/dbraw/zinc/03/59/82/276035982.db2.gz NZCTULLHXOHXOO-FVVUREQNSA-N 2 0 324.509 2.527 20 0 DFADRP C[C@@H](c1ccccc1)[C@@H](O)C[N@@H+]1CC[C@@H](C)[C@@H](n2ccnc2)C1 ZINC000450590053 429653717 /nfs/dbraw/zinc/65/37/17/429653717.db2.gz HTGUUKSVQQCDCA-NEPXVJNWSA-N 2 0 313.445 2.931 20 0 DFADRP CCC[C@H]1CN(c2cc[nH+]c(C)c2Cl)CC[N@@H+]1CCOC ZINC000355100529 276049728 /nfs/dbraw/zinc/04/97/28/276049728.db2.gz SDNYTSJPJMDNBE-AWEZNQCLSA-N 2 0 311.857 2.981 20 0 DFADRP CC(C)c1ccc([C@@H]([NH3+])CNC(=O)C2([NH3+])CCCCC2)cc1 ZINC000262464113 276056239 /nfs/dbraw/zinc/05/62/39/276056239.db2.gz WXFMZDOCHQZHOL-INIZCTEOSA-N 2 0 303.450 2.588 20 0 DFADRP CC[NH+]1CCN(CCC[NH2+][C@@H]2c3cc(C)ccc3C[C@H]2C)CC1 ZINC000180109545 276194941 /nfs/dbraw/zinc/19/49/41/276194941.db2.gz NVWVXTZITRVWEF-XLIONFOSSA-N 2 0 315.505 2.846 20 0 DFADRP CC[NH+]1CCN([C@@H]2CC[N@H+](CC[C@@H]3CCC[C@@H](C)C3)C2)CC1 ZINC000246499792 276198255 /nfs/dbraw/zinc/19/82/55/276198255.db2.gz SBDYNSORHMPPGT-CEXWTWQISA-N 2 0 307.526 2.915 20 0 DFADRP C[N@@H+]1CC[C@H]([NH2+]C[C@H](O)c2ccc(Cl)cc2)[C@H]2CCC[C@H]21 ZINC000367601823 429682042 /nfs/dbraw/zinc/68/20/42/429682042.db2.gz PRPQCXNFNJCABU-TWMKSMIVSA-N 2 0 308.853 2.836 20 0 DFADRP CC[N@@H+]1CC[C@@H]([NH+](C)CCC(=O)Nc2ccccc2F)C[C@@H]1C ZINC000354211861 276213820 /nfs/dbraw/zinc/21/38/20/276213820.db2.gz YPRYQLCKPIILQE-LSDHHAIUSA-N 2 0 321.440 2.959 20 0 DFADRP C[C@H]([NH3+])[C@H]1CCCN(CC(=O)N(C2CC2)C2CCC(C)CC2)C1 ZINC000430548583 429689384 /nfs/dbraw/zinc/68/93/84/429689384.db2.gz MCSRQKFURWWRRW-YZUHTNEWSA-N 2 0 321.509 2.615 20 0 DFADRP Cc1c(F)cccc1NC(=O)CC[N@H+]1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000430552750 429689689 /nfs/dbraw/zinc/68/96/89/429689689.db2.gz KOEGACFXGPYZCM-ZIAGYGMSSA-N 2 0 307.413 2.522 20 0 DFADRP CSc1ccccc1NC(=O)CCN1CCC[C@@H](C)[C@@H]1C[NH3+] ZINC000430551787 429690058 /nfs/dbraw/zinc/69/00/58/429690058.db2.gz ISYHTKXJLQYGQZ-HIFRSBDPSA-N 2 0 321.490 2.796 20 0 DFADRP CC(C)[C@@](C)(C[NH3+])[NH2+]CCOc1ccc(Br)cc1 ZINC000430558606 429691312 /nfs/dbraw/zinc/69/13/12/429691312.db2.gz VZGIXJLZGVPJPM-CQSZACIVSA-N 2 0 315.255 2.791 20 0 DFADRP C[C@](C[NH3+])([NH2+]CCOc1ccc(Br)cc1)C1CC1 ZINC000430565546 429691955 /nfs/dbraw/zinc/69/19/55/429691955.db2.gz AGVJLXQBUQRJPP-CQSZACIVSA-N 2 0 313.239 2.545 20 0 DFADRP CC[NH2+]CC1CC[NH+]([C@@H](C)C(=O)Nc2ccc(C)c(C)c2)CC1 ZINC000430572399 429694781 /nfs/dbraw/zinc/69/47/81/429694781.db2.gz OBXQXWWGJHFKNT-INIZCTEOSA-N 2 0 317.477 2.952 20 0 DFADRP C[C@H]([NH3+])[C@H]1CCC[N@H+](CCCc2nc(-c3ccccc3)no2)C1 ZINC000430583783 429696445 /nfs/dbraw/zinc/69/64/45/429696445.db2.gz TUJBPACJEXHYON-HOCLYGCPSA-N 2 0 314.433 2.728 20 0 DFADRP CCOc1ccccc1OCC[N@@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000262305285 276383539 /nfs/dbraw/zinc/38/35/39/276383539.db2.gz OZXWFJQVSKTYQQ-ARFHVFGLSA-N 2 0 304.434 2.523 20 0 DFADRP CC[N@H+](C)[C@H](C(=O)NC[C@H]1[NH2+]CCCC1(C)C)c1ccccc1 ZINC000430731250 429713653 /nfs/dbraw/zinc/71/36/53/429713653.db2.gz LFYVXNCJLAYHPY-SJORKVTESA-N 2 0 317.477 2.574 20 0 DFADRP C[C@H]1CCN(C(=O)OC(C)(C)C)CC[C@@H]1[NH2+]CCC[NH+](C)C ZINC000367765543 429713859 /nfs/dbraw/zinc/71/38/59/429713859.db2.gz OGDYWJHEHFSZQI-GJZGRUSLSA-N 2 0 313.486 2.563 20 0 DFADRP OC[C@@H]1CCC[N@@H+]1CCCC[NH2+]Cc1ccc(C(F)F)cc1 ZINC000526977954 429714394 /nfs/dbraw/zinc/71/43/94/429714394.db2.gz XPYHZLFBPRZJMZ-INIZCTEOSA-N 2 0 312.404 2.951 20 0 DFADRP CC[NH+](CC)C[C@@H]1CCCC[C@H]1NC(=O)c1ccc(C[NH3+])cc1 ZINC000430776200 429716402 /nfs/dbraw/zinc/71/64/02/429716402.db2.gz OGYOBAGOQOYSLE-ZWKOTPCHSA-N 2 0 317.477 2.776 20 0 DFADRP CC(C)[C@@H](O)C[N@@H+]1CCC[C@@H]([NH+](C)Cc2ccccc2)CC1 ZINC000367795450 429718184 /nfs/dbraw/zinc/71/81/84/429718184.db2.gz VVKLEUDWEBPVOP-MOPGFXCFSA-N 2 0 304.478 2.990 20 0 DFADRP [NH3+][C@@H]1CCCCCC[C@H]1C(=O)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000430821070 429718418 /nfs/dbraw/zinc/71/84/18/429718418.db2.gz MLBLPZSGNKCMJA-KZNAEPCWSA-N 2 0 321.509 2.619 20 0 DFADRP C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)[C@@H]1CCCCCC[C@H]1[NH3+] ZINC000430889156 429721725 /nfs/dbraw/zinc/72/17/25/429721725.db2.gz LWPMBNFJPDPWQC-YYIAUSFCSA-N 2 0 309.498 2.663 20 0 DFADRP C[C@@H]([NH3+])C1CC[NH+](CCCc2nc(-c3ccccc3)no2)CC1 ZINC000430922413 429722684 /nfs/dbraw/zinc/72/26/84/429722684.db2.gz AEHWWYDXSXDPCZ-CQSZACIVSA-N 2 0 314.433 2.728 20 0 DFADRP c1cc(CCC[NH+]2CCC3(CC[NH2+]C3)CC2)cc2c1OCC2 ZINC000430919483 429723290 /nfs/dbraw/zinc/72/32/90/429723290.db2.gz QRCVUVSAAPNXOK-UHFFFAOYSA-N 2 0 300.446 2.630 20 0 DFADRP C[NH2+]CC1CC[NH+]([C@@H](C)C(=O)Nc2cccc(SC)c2)CC1 ZINC000430931910 429725374 /nfs/dbraw/zinc/72/53/74/429725374.db2.gz XQBCHLWZTCBWSN-ZDUSSCGKSA-N 2 0 321.490 2.667 20 0 DFADRP C[NH2+]CC1CC[NH+]([C@H](C)c2nc(-c3ccccc3)no2)CC1 ZINC000430946833 429727153 /nfs/dbraw/zinc/72/71/53/429727153.db2.gz BQNMTKYSYXMATH-CYBMUJFWSA-N 2 0 300.406 2.729 20 0 DFADRP C[NH2+]CC1CC[NH+]([C@@H](C)C(=O)Nc2cc(C)ccc2C)CC1 ZINC000430952550 429730050 /nfs/dbraw/zinc/73/00/50/429730050.db2.gz QCUTWNCPBLPCPW-HNNXBMFYSA-N 2 0 303.450 2.562 20 0 DFADRP C[N@H+](C[C@@H]1Cc2ccccc21)C1CC[NH+](C2CCOCC2)CC1 ZINC000367869721 429733514 /nfs/dbraw/zinc/73/35/14/429733514.db2.gz YBJFUDUFPZLIEL-KRWDZBQOSA-N 2 0 314.473 2.902 20 0 DFADRP CCNC(=O)C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCCN1C(C)C ZINC000450937526 429733756 /nfs/dbraw/zinc/73/37/56/429733756.db2.gz IAWASKRZZGMTSM-SJORKVTESA-N 2 0 309.498 2.630 20 0 DFADRP CCc1cccc(C)c1NC(=O)C[NH+]1CCC2(CC[NH2+]C2)CC1 ZINC000431014966 429736082 /nfs/dbraw/zinc/73/60/82/429736082.db2.gz QKYYPSSBHZNXOM-UHFFFAOYSA-N 2 0 315.461 2.571 20 0 DFADRP Cc1ccccc1[C@H]1C[C@H](C)[N@@H+](Cc2nc(C(C)(C)[NH3+])no2)C1 ZINC000431078685 429738789 /nfs/dbraw/zinc/73/87/89/429738789.db2.gz GRTGZJQPYCIOGI-KBPBESRZSA-N 2 0 314.433 2.950 20 0 DFADRP C[NH+](C)CCCN[C@@H]1C[C@@H](C2CC2)[N@H+](Cc2ccccc2)C1 ZINC000367909240 429741316 /nfs/dbraw/zinc/74/13/16/429741316.db2.gz FWLZCAJBTYYVJZ-MOPGFXCFSA-N 2 0 301.478 2.581 20 0 DFADRP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@@H+]2CCCc1cccc(F)c1 ZINC000367915243 429741930 /nfs/dbraw/zinc/74/19/30/429741930.db2.gz CIJRFNKIMULUNZ-QRVBRYPASA-N 2 0 320.452 2.942 20 0 DFADRP C[NH+](C)CCCN[C@H]1C[C@@H](C2CC2)[N@H+](Cc2ccccc2)C1 ZINC000367909241 429742144 /nfs/dbraw/zinc/74/21/44/429742144.db2.gz FWLZCAJBTYYVJZ-OALUTQOASA-N 2 0 301.478 2.581 20 0 DFADRP Cc1nccn1CCC[N@@H+]1CC[C@@H](n2cnc3c2CCCC3)C1 ZINC000432080637 429798121 /nfs/dbraw/zinc/79/81/21/429798121.db2.gz PTVAFTCTGIAOGB-MRXNPFEDSA-N 2 0 313.449 2.604 20 0 DFADRP C[C@@H]1C[NH+](CCCC[NH2+]C/C=C/c2ccncc2)C[C@@H](C)O1 ZINC000486940918 429754631 /nfs/dbraw/zinc/75/46/31/429754631.db2.gz QIIJCPKITOJCJR-SDKBWNRFSA-N 2 0 303.450 2.574 20 0 DFADRP c1ccc(C[NH+]2CC[C@H]3C[N@@H+](CC4=CCCOC4)C[C@H]3C2)cc1 ZINC000367967379 429756426 /nfs/dbraw/zinc/75/64/26/429756426.db2.gz UWOOXKBWBMLTCK-VQTJNVASSA-N 2 0 312.457 2.787 20 0 DFADRP C[C@@H](CCNC(=O)c1ccccc1C[NH+](C)C)[NH+]1CCCCC1 ZINC000487006108 429759162 /nfs/dbraw/zinc/75/91/62/429759162.db2.gz HURPZRFDHRALAV-INIZCTEOSA-N 2 0 317.477 2.743 20 0 DFADRP C[C@@H](C[NH+]1CCCCCC1)NC(=O)c1ccccc1C[NH+](C)C ZINC000487056604 429762505 /nfs/dbraw/zinc/76/25/05/429762505.db2.gz DANGWJYICOUZOA-INIZCTEOSA-N 2 0 317.477 2.743 20 0 DFADRP C[C@@H]1CN(Cc2cncn2Cc2ccccc2)CC[N@@H+](C2CC2)C1 ZINC000451094688 429767438 /nfs/dbraw/zinc/76/74/38/429767438.db2.gz QJDNQLLGZUKCLD-QGZVFWFLSA-N 2 0 324.472 2.848 20 0 DFADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)CC[C@@H]2CCCC[NH+]2C)C1 ZINC000431725962 429779693 /nfs/dbraw/zinc/77/96/93/429779693.db2.gz OUTMNCFPPTXFQH-KSZLIROESA-N 2 0 323.525 2.735 20 0 DFADRP C[N@@H+]1CCC[C@H]1CC[NH+]1CCC[C@](O)(c2ccccc2)CC1 ZINC000368072735 429780713 /nfs/dbraw/zinc/78/07/13/429780713.db2.gz PZLKGTPZXTUKFV-RBUKOAKNSA-N 2 0 302.462 2.844 20 0 DFADRP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)CC[C@H]1CCCC[NH+]1C ZINC000431784576 429782874 /nfs/dbraw/zinc/78/28/74/429782874.db2.gz LZHLOWDQPIGTDA-IAGOWNOFSA-N 2 0 309.498 2.632 20 0 DFADRP C[C@H](C[NH+]1CCCCC1)NC(=O)C[C@@H](c1ccccc1)[NH+](C)C ZINC000431913999 429789982 /nfs/dbraw/zinc/78/99/82/429789982.db2.gz PBPKFIOVKPENNX-AEFFLSMTSA-N 2 0 317.477 2.670 20 0 DFADRP COC[C@H](C)[NH2+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000368235193 429815342 /nfs/dbraw/zinc/81/53/42/429815342.db2.gz NSRQHBXVQZPWFA-WZGPROSRSA-N 2 0 302.462 2.912 20 0 DFADRP COc1cccc([C@H](C[NH2+][C@@H]2C[C@H](C)[N@H+](C)C[C@@H]2C)OC)c1 ZINC000527919720 429820239 /nfs/dbraw/zinc/82/02/39/429820239.db2.gz JQVYFAOVYUTYKV-ZZCKCESHSA-N 2 0 306.450 2.701 20 0 DFADRP Cc1c([C@@H](C)NCCC[N@@H+]2CCCO[C@H](C)C2)cnn1C(C)C ZINC000432431238 429823488 /nfs/dbraw/zinc/82/34/88/429823488.db2.gz VTMXWFWEQAKQMR-HZPDHXFCSA-N 2 0 322.497 2.924 20 0 DFADRP CC1(C[NH+]2CCOCC2)CC[NH+]([C@H]2C[C@H]2c2ccccc2)CC1 ZINC000368283918 429823914 /nfs/dbraw/zinc/82/39/14/429823914.db2.gz ZMJFOEYZBNAQRG-OALUTQOASA-N 2 0 314.473 2.977 20 0 DFADRP C[N@@H+](Cc1cncs1)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000368297550 429827655 /nfs/dbraw/zinc/82/76/55/429827655.db2.gz FYIYFPOEVZMUCH-UHFFFAOYSA-N 2 0 302.447 2.887 20 0 DFADRP CC(C)[C@@H](O)C[N@@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000432826499 429842535 /nfs/dbraw/zinc/84/25/35/429842535.db2.gz ZAHZLICXHPMOSM-PMACEKPBSA-N 2 0 316.489 2.991 20 0 DFADRP CC(C)[C@H](O)C[N@@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000432826500 429843767 /nfs/dbraw/zinc/84/37/67/429843767.db2.gz ZAHZLICXHPMOSM-UXHICEINSA-N 2 0 316.489 2.991 20 0 DFADRP c1nc(NC[C@H]2CC[N@@H+]2C2CCCCC2)cc(N2CCCC2)n1 ZINC000528117452 429850116 /nfs/dbraw/zinc/85/01/16/429850116.db2.gz ZCCHNTBEYHLUJF-MRXNPFEDSA-N 2 0 315.465 2.896 20 0 DFADRP COc1cc2c(cc1F)[nH+]ccc2N1CC[C@@H]2CC[N@H+](C)[C@H]2C1 ZINC000368448437 429851457 /nfs/dbraw/zinc/85/14/57/429851457.db2.gz AKWLBHHCWQRWRL-SJCJKPOMSA-N 2 0 315.392 2.913 20 0 DFADRP COCCOc1cccc(C[NH2+]Cc2cnc3n2CCCC3)c1 ZINC000368497415 429858237 /nfs/dbraw/zinc/85/82/37/429858237.db2.gz YHIMEMBYRVZERX-UHFFFAOYSA-N 2 0 315.417 2.534 20 0 DFADRP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@@H+]2CCCCC1CCOCC1 ZINC000368530470 429863247 /nfs/dbraw/zinc/86/32/47/429863247.db2.gz MRWZXLUFPBHUTA-GUDVDZBRSA-N 2 0 324.509 2.767 20 0 DFADRP CS[C@@H]1CN(c2cc[nH+]cc2-c2cccnc2)C[C@@H]1[NH+](C)C ZINC000368543110 429864306 /nfs/dbraw/zinc/86/43/06/429864306.db2.gz GBYSTQZHHGYIDI-DLBZAZTESA-N 2 0 314.458 2.625 20 0 DFADRP C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)C1CC[NH+](C2CC2)CC1 ZINC000494271683 429864853 /nfs/dbraw/zinc/86/48/53/429864853.db2.gz SAWPPLUMSPIYCF-MRXNPFEDSA-N 2 0 321.509 2.632 20 0 DFADRP COCC(C)(C)C[NH2+]C[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000494338726 429867611 /nfs/dbraw/zinc/86/76/11/429867611.db2.gz LCYZLJOKVYIHDF-GOSISDBHSA-N 2 0 304.478 2.813 20 0 DFADRP COc1ccc([C@H]([NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)C2CC2)cn1 ZINC000527844515 429808662 /nfs/dbraw/zinc/80/86/62/429808662.db2.gz ZOXQHPUOTJCUDA-SOLBZPMBSA-N 2 0 301.434 2.758 20 0 DFADRP CO[C@@H](C[NH+]1CCN(c2cc[nH+]cc2)CC1)c1ccc(F)cc1 ZINC000528405565 429885718 /nfs/dbraw/zinc/88/57/18/429885718.db2.gz TUVLRIUWFVJMOF-SFHVURJKSA-N 2 0 315.392 2.730 20 0 DFADRP CC[C@@H](c1ccccc1F)[N@@H+]1CC[C@@H](N2CC[NH+](CC)CC2)C1 ZINC000368799233 429895042 /nfs/dbraw/zinc/89/50/42/429895042.db2.gz VNWCXDPZJNNSKA-APWZRJJASA-N 2 0 319.468 2.989 20 0 DFADRP CC(C)[C@H]1CN(Cc2nccn2C)CC[N@@H+]1Cc1ccccc1 ZINC000528636975 429903376 /nfs/dbraw/zinc/90/33/76/429903376.db2.gz GEFPZWFOTISSPQ-GOSISDBHSA-N 2 0 312.461 2.763 20 0 DFADRP CC(C)[NH+]1CCN(CCC[N@@H+]2CC[C@@]3(CC[C@H](C)C3)C2)CC1 ZINC000369122240 429914319 /nfs/dbraw/zinc/91/43/19/429914319.db2.gz OFDQODWBCMBDIP-RBUKOAKNSA-N 2 0 307.526 2.915 20 0 DFADRP Cc1ccc(O)c(C[NH2+]C[C@@H]2CC[N@H+](Cc3ccccc3)C2)n1 ZINC000369136844 429915524 /nfs/dbraw/zinc/91/55/24/429915524.db2.gz AKWYOSLOONSXAT-KRWDZBQOSA-N 2 0 311.429 2.707 20 0 DFADRP CC(C)[NH+]1CCN(CCC[N@@H+]2CCC[C@@H]2c2cccn2C)CC1 ZINC000369207015 429919382 /nfs/dbraw/zinc/91/93/82/429919382.db2.gz WXRBYKCEDXEPHY-LJQANCHMSA-N 2 0 318.509 2.578 20 0 DFADRP CCc1ccccc1CC[N@@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@@H]21 ZINC000369348040 429927618 /nfs/dbraw/zinc/92/76/18/429927618.db2.gz GUNISXKJLTXSQQ-HSALFYBXSA-N 2 0 316.489 2.975 20 0 DFADRP C(C[NH+]1CCCC12CCOCC2)C[N@@H+]1CCCC12CCOCC2 ZINC000368577095 429870197 /nfs/dbraw/zinc/87/01/97/429870197.db2.gz SCTHHUZDPALTAM-UHFFFAOYSA-N 2 0 322.493 2.667 20 0 DFADRP C[C@@H](C[C@H](C)[NH2+]CC1CC[NH+](C)CC1)NC(=O)OC(C)(C)C ZINC000494466996 429875564 /nfs/dbraw/zinc/87/55/64/429875564.db2.gz DLPBHWQMYYVSLV-KBPBESRZSA-N 2 0 313.486 2.610 20 0 DFADRP C[N@H+](Cc1ccccc1)CC(C)(C)C[NH2+][C@@H]1C[C@H](O)C1(C)C ZINC000494481735 429875889 /nfs/dbraw/zinc/87/58/89/429875889.db2.gz BRMLDMLNGSGPEB-SJORKVTESA-N 2 0 304.478 2.894 20 0 DFADRP C[C@H]1CC[N@H+](Cc2ccc(-c3cc[nH]n3)o2)C[C@H]1n1ccnc1 ZINC000369484533 429955200 /nfs/dbraw/zinc/95/52/00/429955200.db2.gz NIFPGWFLGWYPQE-XJKSGUPXSA-N 2 0 311.389 2.949 20 0 DFADRP C[NH+]1CCN(c2cc[nH+]cc2N[C@H]2CCc3ccccc32)CC1 ZINC000558119510 429962061 /nfs/dbraw/zinc/96/20/61/429962061.db2.gz POMOWZJEWFCZJO-KRWDZBQOSA-N 2 0 308.429 2.933 20 0 DFADRP COc1ncc(C[N@@H+]2CCC3(C2)CC[NH+](C)CC3)cc1Cl ZINC000639756690 429971462 /nfs/dbraw/zinc/97/14/62/429971462.db2.gz BWASEFIZSAHYDK-UHFFFAOYSA-N 2 0 309.841 2.661 20 0 DFADRP COC[C@@H](O)C[NH2+]Cc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000573676184 429971629 /nfs/dbraw/zinc/97/16/29/429971629.db2.gz GPHWAKUIOKCCOH-IBGZPJMESA-N 2 0 320.477 2.548 20 0 DFADRP [NH3+]C[C@H]1CC[C@H](C[NH2+][C@@H]2CCN[C@@H](c3ccccc3)C2)CC1 ZINC000573305629 429942982 /nfs/dbraw/zinc/94/29/82/429942982.db2.gz FGEHQTRSAWNHHF-PSBWJHGTSA-N 3 0 301.478 2.834 20 0 DFADRP c1cc(N2CCC[N@@H+](CCOCC3CCCC3)CC2)cc[nH+]1 ZINC000639682825 429943344 /nfs/dbraw/zinc/94/33/44/429943344.db2.gz ABOGXHYCSKFWNZ-UHFFFAOYSA-N 2 0 303.450 2.801 20 0 DFADRP C[N@H+](CCN1CCCN(c2cc[nH+]cc2)CC1)Cc1ccccc1 ZINC000639683955 429945866 /nfs/dbraw/zinc/94/58/66/429945866.db2.gz PEDPPHUTBCLIMT-UHFFFAOYSA-N 2 0 324.472 2.726 20 0 DFADRP CC[NH+]1CCC(C[NH2+][C@@H](C)c2cc(C(=O)OC)cs2)CC1 ZINC000557705012 429952861 /nfs/dbraw/zinc/95/28/61/429952861.db2.gz RGGHIKITAVSVKB-LBPRGKRZSA-N 2 0 310.463 2.917 20 0 DFADRP C[C@@H]1C[C@H](C)C[N@@H+](CCC[NH2+]C[C@H](O)Cc2ccc(F)cc2)C1 ZINC000560343208 430033132 /nfs/dbraw/zinc/03/31/32/430033132.db2.gz VCWUKFQTVYRCGW-JTDSTZFVSA-N 2 0 322.468 2.687 20 0 DFADRP Cc1ccc(C[NH3+])cc1-c1ccccc1C[NH+]1CCN(C)CC1 ZINC000634576385 430041061 /nfs/dbraw/zinc/04/10/61/430041061.db2.gz PYWROAGILASGLU-UHFFFAOYSA-N 2 0 309.457 2.868 20 0 DFADRP CC[C@@H](C)NC(=O)[C@@H](C)N1CCC(CC)([NH+]2CCCC2)CC1 ZINC000639988024 430045741 /nfs/dbraw/zinc/04/57/41/430045741.db2.gz MHSDRNITXQOWBP-HZPDHXFCSA-N 2 0 309.498 2.630 20 0 DFADRP CCC[C@H]1CCCC[C@H]1[NH2+]CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000574499183 430046755 /nfs/dbraw/zinc/04/67/55/430046755.db2.gz MDJXQTPCSMDFHA-MAUKXSAKSA-N 2 0 321.509 2.678 20 0 DFADRP CCC1([NH+]2CCCC2)CCN(CCO[C@@H]2CCCCO2)CC1 ZINC000639987243 430046807 /nfs/dbraw/zinc/04/68/07/430046807.db2.gz ZJGBPJGHKJSXDW-QGZVFWFLSA-N 2 0 310.482 2.870 20 0 DFADRP CCC1([NH+]2CCCC2)CCN(CCn2nc(C)cc2C)CC1 ZINC000639988051 430046845 /nfs/dbraw/zinc/04/68/45/430046845.db2.gz MTXPFTFUEREXJI-UHFFFAOYSA-N 2 0 304.482 2.840 20 0 DFADRP CC[N@@H+]1CC[C@H]([NH2+][C@@H]2CCN(Cc3ccc(C)cc3)C2)[C@@H](C)C1 ZINC000631748960 429990025 /nfs/dbraw/zinc/99/00/25/429990025.db2.gz MCONTTGQWRRCND-SXLOBPIMSA-N 2 0 315.505 2.889 20 0 DFADRP C[C@H]([NH2+]C[C@@H](O)C[NH+]1CCC(C)CC1)[C@@H]1C[C@H]1c1ccccc1 ZINC000558968545 429995776 /nfs/dbraw/zinc/99/57/76/429995776.db2.gz HCCBNNVMFNOLQW-RNQOJCNYSA-N 2 0 316.489 2.861 20 0 DFADRP C[C@@H]([NH2+]C[C@@]1(C)CCC[NH2+]C1)c1ccc2c(c1)CCC(=O)N2 ZINC000573953181 429998203 /nfs/dbraw/zinc/99/82/03/429998203.db2.gz OEZJIEZNUYZWBR-ACJLOTCBSA-N 2 0 301.434 2.612 20 0 DFADRP CCC[N@H+](CC)C[C@H](C)NC(=O)CC[NH+](C)C1CCCCC1 ZINC000559248193 430001536 /nfs/dbraw/zinc/00/15/36/430001536.db2.gz SEYMRAATTPDSBQ-INIZCTEOSA-N 2 0 311.514 2.878 20 0 DFADRP CC[N@H+](C)C[C@H](O)CN1CCC[C@@H]1Cc1ccccc1Cl ZINC000574023302 430002878 /nfs/dbraw/zinc/00/28/78/430002878.db2.gz AEIURVUHQMBERR-CVEARBPZSA-N 2 0 310.869 2.660 20 0 DFADRP C[C@@H]([NH2+]C1CCN(C2CC[NH+](C)CC2)CC1)C1CC(F)(F)C1 ZINC000529536971 430023945 /nfs/dbraw/zinc/02/39/45/430023945.db2.gz BPOFNLMNUKPPHU-CYBMUJFWSA-N 2 0 315.452 2.568 20 0 DFADRP C[C@H](CC(=O)Nc1cccc(F)c1)[NH2+][C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000634733098 430092599 /nfs/dbraw/zinc/09/25/99/430092599.db2.gz XAXOOJCCPJMWIA-CZUORRHYSA-N 2 0 321.440 2.911 20 0 DFADRP CC1(C)C[NH2+]CC[C@@H]([NH2+]Cc2cnn(-c3ccc(F)cc3)c2)C1 ZINC000634733045 430093239 /nfs/dbraw/zinc/09/32/39/430093239.db2.gz VZENVZUJCMIWKM-MRXNPFEDSA-N 2 0 316.424 2.879 20 0 DFADRP CC(C)(C)CC(=O)N1CCC([NH2+][C@H]2CC[NH2+]CC(C)(C)C2)CC1 ZINC000634732672 430093528 /nfs/dbraw/zinc/09/35/28/430093528.db2.gz LUQPFUDKRFLZOD-INIZCTEOSA-N 2 0 323.525 2.781 20 0 DFADRP C[C@@H]1CCCC[C@H]1[NH+]1CCC(N[C@@H]2CC[NH2+]C23CCC3)CC1 ZINC000530179933 430100785 /nfs/dbraw/zinc/10/07/85/430100785.db2.gz YZRBRLLGQKELCC-KBAYOESNSA-N 2 0 305.510 2.904 20 0 DFADRP C[C@@H](C[N@@H+](CC[C@H]1CCC[NH+]1C)[C@@H](C)CO)c1ccccc1 ZINC000561916422 430102981 /nfs/dbraw/zinc/10/29/81/430102981.db2.gz AKHRWUIXMYXYRM-JENIJYKNSA-N 2 0 304.478 2.957 20 0 DFADRP CC(C)(C[NH2+][C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1)C(=O)N1CCCC1 ZINC000530226515 430105855 /nfs/dbraw/zinc/10/58/55/430105855.db2.gz RODGDBDUDNLMSI-GVDBMIGSSA-N 2 0 321.509 2.535 20 0 DFADRP COc1ccc(CC[C@@H](C)[NH2+][C@@H]2CC[NH2+]C23CCC3)cc1O ZINC000530243322 430107623 /nfs/dbraw/zinc/10/76/23/430107623.db2.gz HLTZNUMZOFKKOA-CXAGYDPISA-N 2 0 304.434 2.596 20 0 DFADRP CO[C@@H]1C[C@@H]([NH2+]Cc2cn(-c3cc[nH+]cc3)nc2C)C12CCC2 ZINC000560596945 430056515 /nfs/dbraw/zinc/05/65/15/430056515.db2.gz BEOVEKVSXNMXAT-IAGOWNOFSA-N 2 0 312.417 2.623 20 0 DFADRP c1ccc(-c2noc(CN3CCCC[C@H]3[C@H]3CC[NH2+]C3)n2)cc1 ZINC000561278938 430084946 /nfs/dbraw/zinc/08/49/46/430084946.db2.gz UZTQCYFEFXLEIU-HOTGVXAUSA-N 2 0 312.417 2.701 20 0 DFADRP Cc1cc(NC(=O)CCCC[NH+](C)C)ccc1OCC[NH+](C)C ZINC000562662598 430162850 /nfs/dbraw/zinc/16/28/50/430162850.db2.gz YQJGPNQDSSTRAQ-UHFFFAOYSA-N 2 0 321.465 2.606 20 0 DFADRP C[C@H]1CN(C2CC2)C[C@@H]1[NH2+]Cc1ccccc1Cn1ccnc1 ZINC000580978477 430168177 /nfs/dbraw/zinc/16/81/77/430168177.db2.gz CUXWQPNSNVIQJY-KXBFYZLASA-N 2 0 310.445 2.504 20 0 DFADRP CN(Cc1ccccc1OCCCCO)C[C@H]1CCC[N@H+](C)C1 ZINC000637931015 430176459 /nfs/dbraw/zinc/17/64/59/430176459.db2.gz XTHKKECIQCXKRO-KRWDZBQOSA-N 2 0 320.477 2.612 20 0 DFADRP CCCN(CCC[NH+](C)C)C(=O)c1ccccc1C[NH+](C)C ZINC000562328105 430120575 /nfs/dbraw/zinc/12/05/75/430120575.db2.gz KNFOLTDNFDICHA-UHFFFAOYSA-N 2 0 305.466 2.552 20 0 DFADRP C[N@@H+]1CCC[C@H](CC[NH2+]CCC(=O)Nc2cccc(Cl)c2)C1 ZINC000580554570 430134552 /nfs/dbraw/zinc/13/45/52/430134552.db2.gz XXJPHWYJTUOJGM-CQSZACIVSA-N 2 0 323.868 2.990 20 0 DFADRP C[NH+]1CCC(N(CCO)Cc2oc3ccccc3c2Cl)CC1 ZINC000637814080 430136917 /nfs/dbraw/zinc/13/69/17/430136917.db2.gz GRIBYCQBVIVOQO-UHFFFAOYSA-N 2 0 322.836 2.975 20 0 DFADRP CC[C@@H]1[C@@H](C(=O)NC[C@@H]([NH3+])c2ccc(C(C)C)cc2)CC[N@@H+]1C ZINC000637830682 430139828 /nfs/dbraw/zinc/13/98/28/430139828.db2.gz CIZNJGBRTJGZCT-RCCFBDPRSA-N 2 0 317.477 2.656 20 0 DFADRP O[C@@H](C[NH2+]C1CC[NH+](CC2CC2)CC1)Cc1cccc(Cl)c1 ZINC000580710116 430145205 /nfs/dbraw/zinc/14/52/05/430145205.db2.gz VCWLOJIZYXMDFJ-GOSISDBHSA-N 2 0 322.880 2.707 20 0 DFADRP C[NH+]1CCC(N2CC[C@H]([NH2+][C@H]3CCc4ccc(F)cc43)C2)CC1 ZINC000370636159 277029113 /nfs/dbraw/zinc/02/91/13/277029113.db2.gz QRFMQEYCCSCUPP-LPHOPBHVSA-N 2 0 317.452 2.571 20 0 DFADRP Nc1ccc(-c2cccc(C[NH+]3CCC4(CC[NH2+]C4)CC3)n2)cc1 ZINC000634995177 430187610 /nfs/dbraw/zinc/18/76/10/430187610.db2.gz XOVXCQRKGMQMDG-UHFFFAOYSA-N 2 0 322.456 2.906 20 0 DFADRP C[N@@H+]1CCCN(CCC[NH2+][C@H]2CCCc3ccccc32)CC1 ZINC000246886845 277051479 /nfs/dbraw/zinc/05/14/79/277051479.db2.gz DMNOFFYZULOQQY-IBGZPJMESA-N 2 0 301.478 2.681 20 0 DFADRP CC(C)C1CCC([NH+]2CCN(CC34CC(C3)C[NH2+]4)CC2)CC1 ZINC000634993369 430186787 /nfs/dbraw/zinc/18/67/87/430186787.db2.gz RYLAOMWLXPPKDL-UHFFFAOYSA-N 2 0 305.510 2.571 20 0 DFADRP CC1(C[NH2+]Cc2cccc(-c3ccc(N)cc3)n2)CC[NH2+]CC1 ZINC000634995504 430186924 /nfs/dbraw/zinc/18/69/24/430186924.db2.gz HAMMJIJTGJLNSG-UHFFFAOYSA-N 2 0 310.445 2.810 20 0 DFADRP C[C@H]([NH2+][C@@H]1[C@@H]2Cc3c(cccc3Br)[C@@H]21)[C@@H]1CC[NH2+]C1 ZINC000634997856 430189030 /nfs/dbraw/zinc/18/90/30/430189030.db2.gz UWMXQEQMEOSYRY-AYOILBJTSA-N 2 0 321.262 2.675 20 0 DFADRP C[C@@H]([NH2+][C@H]1CC[C@H](C[NH3+])CC1)c1cccc(OCC[NH+](C)C)c1 ZINC000635009425 430195084 /nfs/dbraw/zinc/19/50/84/430195084.db2.gz YOWPUGAZWCWDMX-JFIYKMOQSA-N 3 0 319.493 2.795 20 0 DFADRP CCCC1CCC(C[N@@H+]2CC[C@@H](n3cc(C[NH3+])nn3)C2)CC1 ZINC000635000326 430190633 /nfs/dbraw/zinc/19/06/33/430190633.db2.gz MHQUAFSXXPNUPC-VMBOVVBDSA-N 2 0 305.470 2.590 20 0 DFADRP CCC[C@H](C)NC(=O)[C@@H](C)[N@H+](C)CCCC[NH+]1CCCCC1 ZINC000640530163 430192101 /nfs/dbraw/zinc/19/21/01/430192101.db2.gz AJAVMHSVGVVRRY-DLBZAZTESA-N 2 0 311.514 2.878 20 0 DFADRP [NH3+][C@H]1CCC[C@H]([NH2+][C@@H]2[C@H]3Cc4cc(Br)ccc4[C@@H]23)C1 ZINC000635001440 430192260 /nfs/dbraw/zinc/19/22/60/430192260.db2.gz SGKUKISOABKMMS-RHMLRGBNSA-N 2 0 321.262 2.947 20 0 DFADRP C[C@H]([NH3+])C[C@H](C)[NH2+][C@@H]1[C@H]2Cc3c(cccc3Br)[C@@H]12 ZINC000635003208 430192401 /nfs/dbraw/zinc/19/24/01/430192401.db2.gz GYYRHXNYSRPIJP-ZOEFBKMBSA-N 2 0 309.251 2.803 20 0 DFADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1CNC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000635004998 430193206 /nfs/dbraw/zinc/19/32/06/430193206.db2.gz RTWMPFIFTCPDMP-SKPIHXQZSA-N 2 0 313.489 2.627 20 0 DFADRP C[C@@H]([NH3+])C[C@H](C)[NH2+][C@@H]1[C@H]2Cc3cc(Br)ccc3[C@@H]12 ZINC000635005068 430193313 /nfs/dbraw/zinc/19/33/13/430193313.db2.gz LQMCFOYVHNOHIV-QWCIBXROSA-N 2 0 309.251 2.803 20 0 DFADRP CC(=O)N1CC[C@H]([NH2+][C@H]2CC[C@H](C[NH3+])CC2)c2ccccc2C1 ZINC000635008059 430193799 /nfs/dbraw/zinc/19/37/99/430193799.db2.gz YQAZXCIOYWLLMG-IEZWGBDMSA-N 2 0 315.461 2.587 20 0 DFADRP C[N@@H+]1CC[C@H]([NH2+]C[C@]2(C)OCCc3sccc32)[C@H]2CCC[C@@H]21 ZINC000353630063 277172115 /nfs/dbraw/zinc/17/21/15/277172115.db2.gz LTXXMOADTCSZPD-VKZRIFJHSA-N 2 0 320.502 2.998 20 0 DFADRP Fc1ccc([C@@H]2OCC[C@H]2C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC000635012035 430195470 /nfs/dbraw/zinc/19/54/70/430195470.db2.gz IUTVIGGKMZBHTB-FYAJOAKPSA-N 2 0 318.436 2.881 20 0 DFADRP C[N@@H+]1CCC[C@H]1CCN[C@H](CO)c1ccc(C(F)(F)F)cc1 ZINC000541953380 430196493 /nfs/dbraw/zinc/19/64/93/430196493.db2.gz KJHYEKUEYZUDKB-LSDHHAIUSA-N 2 0 316.367 2.813 20 0 DFADRP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+]CCn1ccc(C(F)(F)F)n1 ZINC000635014431 430197671 /nfs/dbraw/zinc/19/76/71/430197671.db2.gz ULIDUUHKGRVHTI-CHWSQXEVSA-N 2 0 318.387 2.802 20 0 DFADRP Cc1ccc(CN2CC[C@H]([NH2+][C@H]3CCCC[C@H]3C[NH3+])C2)cc1 ZINC000635013687 430198810 /nfs/dbraw/zinc/19/88/10/430198810.db2.gz VCKWLSNCPAEJGK-FHWLQOOXSA-N 2 0 301.478 2.676 20 0 DFADRP C[C@H](CC(=O)Nc1ccccc1)[NH2+]Cc1cccc2c1CC[NH2+]C2 ZINC000635024246 430199726 /nfs/dbraw/zinc/19/97/26/430199726.db2.gz UYWMBDFDRSWBGV-OAHLLOKOSA-N 2 0 323.440 2.839 20 0 DFADRP COC(=O)C[C@@H]1CC[C@@H]([NH2+]C2CC[NH+](C(C)(C)C)CC2)[C@@H]1C ZINC000354124449 277325633 /nfs/dbraw/zinc/32/56/33/277325633.db2.gz KSUQYGLBRNQZPO-IJEWVQPXSA-N 2 0 310.482 2.817 20 0 DFADRP CC[NH2+][C@@H](C)C(=O)Nc1ccc(C[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000638061984 430223871 /nfs/dbraw/zinc/22/38/71/430223871.db2.gz BUKNDYVJTWSQRV-GJZGRUSLSA-N 2 0 303.450 2.998 20 0 DFADRP CC[NH2+][C@H](C)C(=O)NCc1ccccc1C[N@@H+]1CCCC[C@H]1C ZINC000638062985 430224463 /nfs/dbraw/zinc/22/44/63/430224463.db2.gz KVRVPGQFEFBJCZ-HZPDHXFCSA-N 2 0 317.477 2.675 20 0 DFADRP CC(C)[NH+]1CCN([C@H]2CC[N@H+](CC3CCC(C)CC3)C2)CC1 ZINC000542507783 430213126 /nfs/dbraw/zinc/21/31/26/430213126.db2.gz MCRBUZNSYJJPQL-ACBHZAAOSA-N 2 0 307.526 2.913 20 0 DFADRP C[NH+](C)Cc1cccc(NC(=O)[C@@H]2CC[N@@H+]2C2CCCC2)c1 ZINC000635263839 430241627 /nfs/dbraw/zinc/24/16/27/430241627.db2.gz BWBAEPSOIGUGIW-KRWDZBQOSA-N 2 0 301.434 2.704 20 0 DFADRP COc1ccc(C[NH+](C)C)cc1NC(=O)C[N@H+](C)CC(C)(C)C ZINC000635266874 430242291 /nfs/dbraw/zinc/24/22/91/430242291.db2.gz RPNGKBCPFFZLSI-UHFFFAOYSA-N 2 0 321.465 2.673 20 0 DFADRP CC[NH+](CC)[C@H](CNC(=O)C[C@@H]1CC[N@H+](C)C1)c1ccsc1 ZINC000635280743 430244955 /nfs/dbraw/zinc/24/49/55/430244955.db2.gz WCCHVEACPSOMAT-GOEBONIOSA-N 2 0 323.506 2.589 20 0 DFADRP CN(Cc1ccc(-n2cnc3ccccc32)cc1)[C@@H]1CC[NH2+]C1 ZINC000566226078 430250663 /nfs/dbraw/zinc/25/06/63/430250663.db2.gz VIYFAHOFVASZJD-QGZVFWFLSA-N 2 0 306.413 2.819 20 0 DFADRP CCCn1ccnc1CCC[N@H+](C)CCCc1cncn1C ZINC000566417383 430257305 /nfs/dbraw/zinc/25/73/05/430257305.db2.gz UPTJOPAJDPDBEJ-UHFFFAOYSA-N 2 0 303.454 2.524 20 0 DFADRP Cc1ccc2c(C[N@H+]3CC[C@@H](c4nccn4C)C3)ccc(O)c2n1 ZINC000566415027 430257901 /nfs/dbraw/zinc/25/79/01/430257901.db2.gz VWEVLWWZPJJWKY-OAHLLOKOSA-N 2 0 322.412 2.972 20 0 DFADRP C[C@@H](c1ccc([S@](C)=O)cc1)[N@H+](C)CCCc1cncn1C ZINC000566414674 430258279 /nfs/dbraw/zinc/25/82/79/430258279.db2.gz SJWFODYNTVZTHU-FPTDNZKUSA-N 2 0 319.474 2.783 20 0 DFADRP C[NH2+]C[C@](C)(O)C[NH+]1CCC(CCc2ccc(C)cc2)CC1 ZINC000582008724 430260338 /nfs/dbraw/zinc/26/03/38/430260338.db2.gz ZBSFZOMNRLECSS-IBGZPJMESA-N 2 0 304.478 2.610 20 0 DFADRP C[NH+](C)CCOc1ccc(NC(=O)C[N@H+](C)CC(C)(C)C)cc1 ZINC000635360430 430261242 /nfs/dbraw/zinc/26/12/42/430261242.db2.gz IODRJPJGXWHVSG-UHFFFAOYSA-N 2 0 321.465 2.543 20 0 DFADRP C[C@H](C[NH2+][C@H]1CCC[C@@H]([NH3+])C1)c1nc(-c2ccccc2)no1 ZINC000566482073 430265324 /nfs/dbraw/zinc/26/53/24/430265324.db2.gz RRTKKGDUQXXLLJ-YUELXQCFSA-N 2 0 300.406 2.700 20 0 DFADRP OC1(C[NH2+]C[C@@H]2CCCN(Cc3cccs3)C2)CCCC1 ZINC000565712912 430225273 /nfs/dbraw/zinc/22/52/73/430225273.db2.gz WLRUAMRQGNDXRI-HNNXBMFYSA-N 2 0 308.491 2.855 20 0 DFADRP COc1cc(C)c(C[C@H](C)[NH2+]C[C@@H]2CCC[N@H+](C)C2)cc1OC ZINC000581654651 430229262 /nfs/dbraw/zinc/22/92/62/430229262.db2.gz IRHQMWNAYNYQGL-HOTGVXAUSA-N 2 0 320.477 2.875 20 0 DFADRP CC1CCC(O)(C[NH2+]Cc2ccc(F)c(C[NH+](C)C)c2)CC1 ZINC000581662528 430230308 /nfs/dbraw/zinc/23/03/08/430230308.db2.gz NGCMGAAPCQHSKO-UHFFFAOYSA-N 2 0 308.441 2.918 20 0 DFADRP CC(C)c1ncc(C[NH+]2CCC([C@H]3OCCC[C@@H]3[NH3+])CC2)s1 ZINC000581713914 430234508 /nfs/dbraw/zinc/23/45/08/430234508.db2.gz BNRQOKJJQLFFEB-JKSUJKDBSA-N 2 0 323.506 2.985 20 0 DFADRP C[C@@H](c1ccccc1)[C@H](O)C[NH2+]CC1CC[NH+](C2CC2)CC1 ZINC000566063561 430237585 /nfs/dbraw/zinc/23/75/85/430237585.db2.gz BEFNOTPCGJZAQH-HNAYVOBHSA-N 2 0 302.462 2.615 20 0 DFADRP CC[NH2+][C@H](C)C(=O)NCC1([NH2+][C@H](C)c2ccccc2)CCCC1 ZINC000638110218 430238783 /nfs/dbraw/zinc/23/87/83/430238783.db2.gz CFYYJWDZEQWJGQ-HZPDHXFCSA-N 2 0 317.477 2.764 20 0 DFADRP CC[N@@H+]1CC[C@@H](N(C)Cc2c(OC)cccc2OC)[C@@H](C)C1 ZINC000638110981 430239110 /nfs/dbraw/zinc/23/91/10/430239110.db2.gz ATTPQWCABCCBST-GOEBONIOSA-N 2 0 306.450 2.866 20 0 DFADRP c1ccc(N2CC[C@@H](C[N@@H+]3CC[C@@H](C[NH+]4CCCC4)C3)C2)cc1 ZINC000638113327 430239856 /nfs/dbraw/zinc/23/98/56/430239856.db2.gz RSPIEMGAFYOTEU-OALUTQOASA-N 2 0 313.489 2.931 20 0 DFADRP c1ccc(N2CC[C@H](C[N@@H+]3CC[C@H](C[NH+]4CCCC4)C3)C2)cc1 ZINC000638113329 430240383 /nfs/dbraw/zinc/24/03/83/430240383.db2.gz RSPIEMGAFYOTEU-RTBURBONSA-N 2 0 313.489 2.931 20 0 DFADRP C[NH2+]C[C@H](C)C(=O)NC[C@H](CC(C)C)[NH2+][C@H](C)c1ccccc1 ZINC000567802258 430289540 /nfs/dbraw/zinc/28/95/40/430289540.db2.gz PVGBFTUPGUCEGV-JZXOWHBKSA-N 2 0 319.493 2.724 20 0 DFADRP CCC[C@H](C[NH2+]Cc1ccc(C[NH+]2CCC(O)CC2)cc1)OC ZINC000638272733 430290175 /nfs/dbraw/zinc/29/01/75/430290175.db2.gz BELPHPURNOASSR-LJQANCHMSA-N 2 0 320.477 2.548 20 0 DFADRP C[C@@H](CCc1ccccc1)[NH2+]C1CC[NH+](CC(C)(C)O)CC1 ZINC000638300430 430296947 /nfs/dbraw/zinc/29/69/47/430296947.db2.gz ITSVQUBMYCHKRD-INIZCTEOSA-N 2 0 304.478 2.833 20 0 DFADRP CC(C)(O)C[NH+]1CCC([NH2+]CCSc2ccccc2)CC1 ZINC000638304992 430299742 /nfs/dbraw/zinc/29/97/42/430299742.db2.gz ODGKLOKGXYKMOP-UHFFFAOYSA-N 2 0 308.491 2.604 20 0 DFADRP C[C@@H]1C[C@H]([NH3+])CC[N@@H+]1Cc1ccc(OCc2ccccn2)cc1 ZINC000568103736 430319019 /nfs/dbraw/zinc/31/90/19/430319019.db2.gz IYPFJCPNGVSHIV-NVXWUHKLSA-N 2 0 311.429 2.972 20 0 DFADRP CC[N@@H+]1CC[C@H](N(C)C(=O)[C@H](CC(C)C)n2ccnc2)[C@H](C)C1 ZINC000635603093 430319944 /nfs/dbraw/zinc/31/99/44/430319944.db2.gz LXOZJCIIOYURCL-IKGGRYGDSA-N 2 0 320.481 2.659 20 0 DFADRP CC[N@H+](C)C[C@H](O)CN[C@H](c1ccc(Cl)cc1)[C@H]1C[C@H]1C ZINC000568166124 430322143 /nfs/dbraw/zinc/32/21/43/430322143.db2.gz DDGJUCIGXYJHTR-VDNDLQMASA-N 2 0 310.869 2.939 20 0 DFADRP CC[NH+](CC)Cc1cccc(C[NH2+]C[C@H](OC)[C@H]2CCOC2)c1 ZINC000638382110 430325167 /nfs/dbraw/zinc/32/51/67/430325167.db2.gz SCLYPSNNEFZGKU-OALUTQOASA-N 2 0 320.477 2.670 20 0 DFADRP Cc1cc(C)c(CC[NH2+]C2CC[NH+](CC(C)(C)O)CC2)c(C)c1 ZINC000638384195 430325567 /nfs/dbraw/zinc/32/55/67/430325567.db2.gz UJVUMNGXFIIKDK-UHFFFAOYSA-N 2 0 318.505 2.979 20 0 DFADRP C[NH+](C)[C@@H](CNC(=O)[C@@H]1CCCC[N@@H+]1C)c1ccc(Cl)cc1 ZINC000635638194 430331906 /nfs/dbraw/zinc/33/19/06/430331906.db2.gz QZWNSKZQUGKYJV-HOTGVXAUSA-N 2 0 323.868 2.543 20 0 DFADRP CCN1CCC([NH+]2CCC(C(=O)NC[C@H](C)C(C)C)CC2)CC1 ZINC000582794629 430335649 /nfs/dbraw/zinc/33/56/49/430335649.db2.gz FXOGFOWAKJGACF-INIZCTEOSA-N 2 0 323.525 2.591 20 0 DFADRP CCCC[NH+]1CCC([NH2+][C@@H](C)Cc2ccnc(OC)c2)CC1 ZINC000638430007 430341807 /nfs/dbraw/zinc/34/18/07/430341807.db2.gz NWCFSJIPBGUWAZ-HNNXBMFYSA-N 2 0 305.466 2.875 20 0 DFADRP Cc1cn2ccc(C(=O)N3CC[C@@H](C)[C@H](n4ccnc4)C3)cc2n1 ZINC000635683406 430346944 /nfs/dbraw/zinc/34/69/44/430346944.db2.gz WRHCIFXVMBNQKW-CZUORRHYSA-N 2 0 323.400 2.563 20 0 DFADRP CO[C@H](C[NH2+]CC[C@@H](C)[N@H+](C)Cc1ccccc1)[C@H]1CCOC1 ZINC000638725668 430418605 /nfs/dbraw/zinc/41/86/05/430418605.db2.gz HEIRFMXWRIYNLX-NZSAHSFTSA-N 2 0 320.477 2.538 20 0 DFADRP CC(C)C1(C[NH2+]CC2CC[NH+](CC(=O)NC(C)(C)C)CC2)CC1 ZINC000638717707 430415283 /nfs/dbraw/zinc/41/52/83/430415283.db2.gz CAOYQEHZLHAEMZ-UHFFFAOYSA-N 2 0 323.525 2.639 20 0 DFADRP Cc1ccc(C[NH+]2CCCC2)cc1NC(=O)C[N@H+]1CC[C@H](C)C1 ZINC000569017755 430416413 /nfs/dbraw/zinc/41/64/13/430416413.db2.gz WFLDEZVYWFUALF-HNNXBMFYSA-N 2 0 315.461 2.871 20 0 DFADRP CCOc1ccc(CC[NH2+][C@@H]2CCC[C@@H]([NH3+])C2)cc1OCC ZINC000568415143 430359266 /nfs/dbraw/zinc/35/92/66/430359266.db2.gz IOECGFFQRFWPOA-HZPDHXFCSA-N 2 0 306.450 2.886 20 0 DFADRP CC[C@@H]1[NH2+]CC[C@H]1C(=O)Nc1ccc(C[NH+]2CCCC2)cc1 ZINC000568507926 430364529 /nfs/dbraw/zinc/36/45/29/430364529.db2.gz PCQWUSNYZJPCKL-SJORKVTESA-N 2 0 301.434 2.609 20 0 DFADRP c1ccc(CC[N@H+]2CC[C@@H](C[NH2+]CCC3CCOCC3)C2)cc1 ZINC000638522196 430366082 /nfs/dbraw/zinc/36/60/82/430366082.db2.gz YDUNZKULXLOBFB-FQEVSTJZSA-N 2 0 316.489 2.957 20 0 DFADRP CCC[C@@H](C[NH2+]C[C@H]1CC[N@H+](CCc2ccccc2)C1)OC ZINC000638521306 430366572 /nfs/dbraw/zinc/36/65/72/430366572.db2.gz GKIJCECOKDENHP-MOPGFXCFSA-N 2 0 304.478 2.956 20 0 DFADRP CC(C)(O)C[NH+]1CCC([NH2+]C2CC(C)(c3ccccc3)C2)CC1 ZINC000638527886 430368755 /nfs/dbraw/zinc/36/87/55/430368755.db2.gz IGCFTRXOWQWLOQ-UHFFFAOYSA-N 2 0 316.489 2.932 20 0 DFADRP C[C@@H]([NH2+]CCc1ccc(OCC[NH+](C)C)cc1)[C@H]1CC1(F)F ZINC000638540062 430371822 /nfs/dbraw/zinc/37/18/22/430371822.db2.gz YEVWJDLKPKSJTC-CZUORRHYSA-N 2 0 312.404 2.803 20 0 DFADRP CC[C@H](C(=O)N1CCCc2cccc(C[NH3+])c21)[NH+](CC)CC ZINC000638543604 430372582 /nfs/dbraw/zinc/37/25/82/430372582.db2.gz CJBXAVTUDUXPSO-MRXNPFEDSA-N 2 0 303.450 2.545 20 0 DFADRP CC(C)[NH+]1CCC(C(=O)N2CCCc3cccc(C[NH3+])c32)CC1 ZINC000638544770 430374318 /nfs/dbraw/zinc/37/43/18/430374318.db2.gz ZKHFXXJSVHPKOH-UHFFFAOYSA-N 2 0 315.461 2.545 20 0 DFADRP CC1=C(C)C[C@H]([C@@H](C)[NH2+]C[C@@H](C)CN2CC[NH+](C)CC2)CC1 ZINC000638555899 430374800 /nfs/dbraw/zinc/37/48/00/430374800.db2.gz ZROBTVUWRQMRBK-ATZDWAIDSA-N 2 0 307.526 2.985 20 0 DFADRP Cc1ccc(C[NH2+][C@@H]2CCC[C@@H]([NH3+])C2)c(O[C@@H]2CCOC2)c1 ZINC000568651443 430380227 /nfs/dbraw/zinc/38/02/27/430380227.db2.gz UNGXUDULJBVLOR-BRWVUGGUSA-N 2 0 304.434 2.522 20 0 DFADRP C[C@H]1C[C@H]([NH2+]CCC(=O)Nc2cccc(Cl)c2)CC[N@@H+]1C ZINC000568740305 430386065 /nfs/dbraw/zinc/38/60/65/430386065.db2.gz FEMUPDZMUJCOCP-GXTWGEPZSA-N 2 0 309.841 2.741 20 0 DFADRP C[NH+](C)CC[C@@H]([NH2+]Cc1cccn(C(F)F)c1=O)C(C)(C)C ZINC000638606308 430386898 /nfs/dbraw/zinc/38/68/98/430386898.db2.gz XQITYQQMENBULV-CYBMUJFWSA-N 2 0 315.408 2.699 20 0 DFADRP CSC[C@@H](O)C[NH2+]Cc1cccc(C[NH+]2CCCCCC2)c1 ZINC000568751018 430388431 /nfs/dbraw/zinc/38/84/31/430388431.db2.gz UFDOLJHBLDWOHU-SFHVURJKSA-N 2 0 322.518 2.876 20 0 DFADRP C[C@H]([NH2+]CC[C@@H]1CCC[NH2+]C1)c1ccc2c(c1)CCC(=O)N2 ZINC000568748957 430388571 /nfs/dbraw/zinc/38/85/71/430388571.db2.gz PVHLGYVOWIAXQV-KBPBESRZSA-N 2 0 301.434 2.612 20 0 DFADRP Cc1nn(-c2ccc(F)cc2F)c(C)c1C[NH2+][C@@H](C)C[C@@H](C)[NH3+] ZINC000583381181 430389130 /nfs/dbraw/zinc/38/91/30/430389130.db2.gz ANKPLLZKARFJAK-MNOVXSKESA-N 2 0 322.403 2.983 20 0 DFADRP Cn1c(C[NH2+]CCCC[N@@H+]2CCC[C@H]2CO)cc2ccccc21 ZINC000638617767 430390793 /nfs/dbraw/zinc/39/07/93/430390793.db2.gz BDYVMQUZHPUPDY-KRWDZBQOSA-N 2 0 315.461 2.505 20 0 DFADRP COc1ccccc1N1CCC([NH2+][C@@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000583451362 430397902 /nfs/dbraw/zinc/39/79/02/430397902.db2.gz SJGIWUISSJBZPD-GDBMZVCRSA-N 2 0 303.450 2.524 20 0 DFADRP CC[N@H+](C)C[C@@H]1CC[NH+](CC/C=C/c2cncc(OC)c2)C1 ZINC000583497164 430401264 /nfs/dbraw/zinc/40/12/64/430401264.db2.gz YAERBCNTOXRESZ-UABRLCRWSA-N 2 0 303.450 2.767 20 0 DFADRP CC[N@H+](C)C[C@H]1CC[NH+](CC/C=C\c2cncc(OC)c2)C1 ZINC000583497166 430401555 /nfs/dbraw/zinc/40/15/55/430401555.db2.gz YAERBCNTOXRESZ-XTKXOIQPSA-N 2 0 303.450 2.767 20 0 DFADRP C[C@@H]1C[C@H]1c1ccc(C[N@H+](C)CCCN(C)CC[NH+](C)C)o1 ZINC000583532755 430402726 /nfs/dbraw/zinc/40/27/26/430402726.db2.gz QJORPKWGNJWRLH-NVXWUHKLSA-N 2 0 307.482 2.718 20 0 DFADRP CC[N@H+](CCC1CCN(c2cc(CO)ccn2)CC1)CC1CC1 ZINC000641476308 430408188 /nfs/dbraw/zinc/40/81/88/430408188.db2.gz ALDZENPZUQGKFB-UHFFFAOYSA-N 2 0 317.477 2.912 20 0 DFADRP C[C@H]([NH2+]CC1(N2CCCCC2)CC[NH+](C)CC1)[C@@H]1CC1(F)F ZINC000638693480 430410764 /nfs/dbraw/zinc/41/07/64/430410764.db2.gz UFFHAYVXOAUCCW-GJZGRUSLSA-N 2 0 315.452 2.570 20 0 DFADRP CC[C@@H]([NH3+])C(=O)NC[C@H](CC(C)C)[NH2+][C@@H](C)c1ccccc1 ZINC000569217274 430434242 /nfs/dbraw/zinc/43/42/42/430434242.db2.gz BOGJPXNQIMTYES-BHYGNILZSA-N 2 0 305.466 2.605 20 0 DFADRP CC(C)CC[NH+]1CCC(C[NH2+]C[C@](C)(O)C(F)(F)F)CC1 ZINC000583867117 430435319 /nfs/dbraw/zinc/43/53/19/430435319.db2.gz SLZLBOWQUUHXQA-AWEZNQCLSA-N 2 0 310.404 2.647 20 0 DFADRP CCCN(CCC[NH+](C)C)C(=O)CC[N@H+](C)C1CCCCC1 ZINC000548064559 430443080 /nfs/dbraw/zinc/44/30/80/430443080.db2.gz ZWHTWMBVFSVAGB-UHFFFAOYSA-N 2 0 311.514 2.831 20 0 DFADRP CC[NH+]1CCN(CCCC[NH2+]Cc2ccc(SC)o2)CC1 ZINC000641707398 430446810 /nfs/dbraw/zinc/44/68/10/430446810.db2.gz KSYLXIQGGZJFPR-UHFFFAOYSA-N 2 0 311.495 2.509 20 0 DFADRP C[NH+](C)Cc1cccc(C[NH2+]Cc2ccc3[nH]c(=O)[nH]c3c2)c1 ZINC000641705258 430447430 /nfs/dbraw/zinc/44/74/30/430447430.db2.gz MZQVIFOYCAOHSC-UHFFFAOYSA-N 2 0 310.401 2.620 20 0 DFADRP Cc1cc(N[C@@H](C)[C@@H]2CN(Cc3ccccc3)CCO2)cc[nH+]1 ZINC000548153560 430451762 /nfs/dbraw/zinc/45/17/62/430451762.db2.gz AGYBOMPLEZKKKQ-LPHOPBHVSA-N 2 0 311.429 2.513 20 0 DFADRP COc1cc(C[C@H](C)[NH2+]Cc2cccc(C[NH+](C)C)c2)ccn1 ZINC000638851491 430455460 /nfs/dbraw/zinc/45/54/60/430455460.db2.gz MHLHQWDQPMDFGU-HNNXBMFYSA-N 2 0 313.445 2.873 20 0 DFADRP COc1ccccc1OCC[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000569566733 430466422 /nfs/dbraw/zinc/46/64/22/430466422.db2.gz YVZLCXSQIWGQCJ-ARFHVFGLSA-N 2 0 304.434 2.584 20 0 DFADRP CC1(C)[C@H]([NH3+])C[C@H]1[NH2+]CCOc1ccccc1Br ZINC000641802488 430475955 /nfs/dbraw/zinc/47/59/55/430475955.db2.gz LUFSADYWECOHGI-CHWSQXEVSA-N 2 0 313.239 2.543 20 0 DFADRP CCCc1nc(C)c(C[NH+]2CCC([C@H]3C[C@H]([NH3+])CCO3)CC2)o1 ZINC000641798753 430476280 /nfs/dbraw/zinc/47/62/80/430476280.db2.gz HSTRTWZDVLNVIE-HZPDHXFCSA-N 2 0 321.465 2.654 20 0 DFADRP CC1(C)[C@H]([NH3+])C[C@@H]1[NH2+]CCOc1ccccc1C(F)(F)F ZINC000641802809 430476487 /nfs/dbraw/zinc/47/64/87/430476487.db2.gz PHAXOYOGFYKWHE-OLZOCXBDSA-N 2 0 302.340 2.800 20 0 DFADRP C[C@H]([NH3+])c1ccc(CNC(=O)c2ccc(C[NH+](C)C)cc2)cc1 ZINC000569691781 430479096 /nfs/dbraw/zinc/47/90/96/430479096.db2.gz RAGBIGSNCPKJSN-AWEZNQCLSA-N 2 0 311.429 2.698 20 0 DFADRP CC(C)C[C@@H](CNC(=O)C(C)(C)C[NH3+])[NH2+][C@H](C)c1ccccc1 ZINC000583750772 430426247 /nfs/dbraw/zinc/42/62/47/430426247.db2.gz MHKUCXDDDGJXHQ-WBVHZDCISA-N 2 0 319.493 2.853 20 0 DFADRP C[NH+](C)CCc1ccc(NC(=O)[C@H]2CC[N@@H+]2C2CCCC2)cc1 ZINC000585121145 430480635 /nfs/dbraw/zinc/48/06/35/430480635.db2.gz HCASHEYNICTVGW-GOSISDBHSA-N 2 0 315.461 2.746 20 0 DFADRP C[NH+](C)CC1(C(=O)Nc2ccc3c(c2)CC[C@@H]3[NH+](C)C)CC1 ZINC000635997264 430433112 /nfs/dbraw/zinc/43/31/12/430433112.db2.gz STFPWSYVFXJCON-INIZCTEOSA-N 2 0 301.434 2.516 20 0 DFADRP CC(C)(O)C[NH+]1CCC([NH2+]CC2(Cc3ccccc3)CC2)CC1 ZINC000638783076 430433356 /nfs/dbraw/zinc/43/33/56/430433356.db2.gz HEMDKIFAPCQDSE-UHFFFAOYSA-N 2 0 316.489 2.834 20 0 DFADRP COc1cc(C[NH2+]CC2(C)CC[NH+](C)CC2)c(Cl)cc1O ZINC000638962751 430482833 /nfs/dbraw/zinc/48/28/33/430482833.db2.gz XUHZNQLGKPZOQE-UHFFFAOYSA-N 2 0 312.841 2.876 20 0 DFADRP CN(CCCC[NH+]1CCCCC1)C(=O)Nc1ccc(C[NH3+])cc1 ZINC000641818293 430482980 /nfs/dbraw/zinc/48/29/80/430482980.db2.gz YIPJLNPVFCVQIY-UHFFFAOYSA-N 2 0 318.465 2.875 20 0 DFADRP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCC[N@@H+]2C[C@H]2CCC3(CCCC3)O2)C1 ZINC000641818035 430483408 /nfs/dbraw/zinc/48/34/08/430483408.db2.gz CCJLVBFFHAERKX-BDXSIMOUSA-N 2 0 322.493 2.839 20 0 DFADRP C[C@H](C[C@@H]1CCCC(=O)N1)[NH2+][C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000638969364 430483590 /nfs/dbraw/zinc/48/35/90/430483590.db2.gz GKTWMSFVAORVBW-TWMKSMIVSA-N 2 0 321.509 2.676 20 0 DFADRP C[C@@H]1C[C@H]([NH2+]Cc2ccccc2C[N@@H+]2CCC[C@H]2CO)CS1 ZINC000638971287 430485419 /nfs/dbraw/zinc/48/54/19/430485419.db2.gz QWDWLTQQVNRVFS-JLSDUUJJSA-N 2 0 320.502 2.627 20 0 DFADRP CCC1([NH+](C)C)CCN(C(=O)C[C@@H]2[NH2+]Cc3ccccc32)CC1 ZINC000638981294 430486674 /nfs/dbraw/zinc/48/66/74/430486674.db2.gz QKQUFPYMPIGWHO-KRWDZBQOSA-N 2 0 315.461 2.554 20 0 DFADRP CCC[C@H](C(=O)Nc1cc(N2CC[NH2+]CC2)cc[nH+]1)C(C)C ZINC000638984154 430487687 /nfs/dbraw/zinc/48/76/87/430487687.db2.gz IHZHUQNGDZQINT-HNNXBMFYSA-N 2 0 304.438 2.502 20 0 DFADRP Cc1nc(C[NH3+])ccc1[C@H](C)NC1CC([NH+]2CCCCC2)C1 ZINC000569919267 430497138 /nfs/dbraw/zinc/49/71/38/430497138.db2.gz UZSYENWCQQEQOS-OOHWJJMZSA-N 2 0 302.466 2.516 20 0 DFADRP CC(C)[NH+]1CCN(CCC[N@@H+]2CCC[C@H]2c2ccccn2)CC1 ZINC000548776842 430501443 /nfs/dbraw/zinc/50/14/43/430501443.db2.gz LIIMHZLSQYFXHI-IBGZPJMESA-N 2 0 316.493 2.635 20 0 DFADRP CC(C)[N@H+](CCCN1CC[NH+](C(C)C)CC1)Cc1ccccn1 ZINC000548849727 430505278 /nfs/dbraw/zinc/50/52/78/430505278.db2.gz PORLWROYKRNPRK-UHFFFAOYSA-N 2 0 318.509 2.708 20 0 DFADRP CC[NH+]1CCN(c2cccc(N[C@@H]3CC[N@H+](C)[C@H](C)C3)c2)CC1 ZINC000639057343 430505552 /nfs/dbraw/zinc/50/55/52/430505552.db2.gz MUJISZUWOINFBB-SJLPKXTDSA-N 2 0 316.493 2.723 20 0 DFADRP [NH3+]C[C@H]1CCN(C(=O)C[C@@H]2[NH2+]Cc3ccccc32)c2ccccc21 ZINC000639064987 430509086 /nfs/dbraw/zinc/50/90/86/430509086.db2.gz NHTVTZNSYJEUBK-KDOFPFPSSA-N 2 0 321.424 2.700 20 0 DFADRP C[NH+](C)Cc1cccc(C(=O)N2CC[C@H](C[NH3+])c3ccccc32)c1 ZINC000639064058 430509401 /nfs/dbraw/zinc/50/94/01/430509401.db2.gz BWXNPFRAXFROEY-QGZVFWFLSA-N 2 0 323.440 2.841 20 0 DFADRP CC[C@](C)(C[N@@H+]1CC[C@@H](CN(C)Cc2cccnc2)C1)OC ZINC000639079536 430514871 /nfs/dbraw/zinc/51/48/71/430514871.db2.gz FTTCZTXONREICN-ZWKOTPCHSA-N 2 0 305.466 2.650 20 0 DFADRP CC[NH+](CC)Cc1ccc(C(=O)NC[C@H]2CCC[N@H+](C)C2)cc1 ZINC000549097383 430517387 /nfs/dbraw/zinc/51/73/87/430517387.db2.gz ORECPJAQSDMTSY-QGZVFWFLSA-N 2 0 317.477 2.600 20 0 DFADRP C[C@H]1C[C@H]([NH3+])CC[N@@H+]1CCc1nc(-c2ccc(Cl)cc2)no1 ZINC000570174118 430519944 /nfs/dbraw/zinc/51/99/44/430519944.db2.gz YGGFYYWEXQFSAS-SMDDNHRTSA-N 2 0 320.824 2.744 20 0 DFADRP CC(C)(O)C[NH+]1CCC([NH2+]CCc2cccc3[nH]ccc32)CC1 ZINC000639139964 430541387 /nfs/dbraw/zinc/54/13/87/430541387.db2.gz VTPRVBBHGQRQKW-UHFFFAOYSA-N 2 0 315.461 2.535 20 0 DFADRP CO[C@@H](C[NH2+]CCC[N@@H+]1CCCO[C@H](C)C1)C1CCCCC1 ZINC000639125257 430533660 /nfs/dbraw/zinc/53/36/60/430533660.db2.gz YYSVINWUIPQWIS-AEFFLSMTSA-N 2 0 312.498 2.672 20 0 DFADRP CC(C)[N@@H+]1CC[C@H](CNCc2cnc([C@@H]3CCCO3)s2)C1 ZINC000549867868 430534881 /nfs/dbraw/zinc/53/48/81/430534881.db2.gz YRQUQFJDMLIOFF-HIFRSBDPSA-N 2 0 309.479 2.815 20 0 DFADRP CC[NH+]1CCC(C[NH2+][C@H]2CCc3c(cccc3OC)C2)CC1 ZINC000570573411 430554610 /nfs/dbraw/zinc/55/46/10/430554610.db2.gz VKNAHBWMSRLRBV-KRWDZBQOSA-N 2 0 302.462 2.874 20 0 DFADRP C[C@H](N[C@H](C[NH+]1CCCCC1)c1ccccc1)[C@@H]1CC[NH2+]C1 ZINC000643451907 430601537 /nfs/dbraw/zinc/60/15/37/430601537.db2.gz WJRARYRVLBZWRV-QXAKKESOSA-N 2 0 301.478 2.801 20 0 DFADRP CC(C)(O)C[NH+]1CCC([NH2+]C[C@@H]2CSc3ccccc32)CC1 ZINC000639214436 430574215 /nfs/dbraw/zinc/57/42/15/430574215.db2.gz PTZXFXLQRYXPCW-CQSZACIVSA-N 2 0 320.502 2.701 20 0 DFADRP CC(C)(O)C[NH+]1CCC([NH2+]C[C@H]2CCCCC2(F)F)CC1 ZINC000639216116 430575725 /nfs/dbraw/zinc/57/57/25/430575725.db2.gz CZKWLCURIYYQJS-CYBMUJFWSA-N 2 0 304.425 2.637 20 0 DFADRP O=C(C[NH2+][C@@H]1CCC[C@@H](C2CC2)C1)NCC[NH+]1CCCCCC1 ZINC000552064823 430582864 /nfs/dbraw/zinc/58/28/64/430582864.db2.gz RIDYUVBCYKOHSU-QZTJIDSGSA-N 2 0 321.509 2.537 20 0 DFADRP C[C@H]([NH2+]C[C@H]1CCN(c2ccc(F)c(F)c2)C1)[C@H]1CCC[NH2+]1 ZINC000643453194 430601960 /nfs/dbraw/zinc/60/19/60/430601960.db2.gz MREOKYKEGOUSSR-OGHNNQOOSA-N 2 0 309.404 2.521 20 0 DFADRP CC(C)[N@H+](Cc1ccc(OCC[NH+](C)C)cc1)[C@H]1CCOC1 ZINC000643346437 430589021 /nfs/dbraw/zinc/58/90/21/430589021.db2.gz NRGPLBKJWKBTLV-KRWDZBQOSA-N 2 0 306.450 2.626 20 0 DFADRP C[C@H]([NH3+])C[C@H](C)[NH2+][C@@H]1CCN(c2ccc(C(F)(F)F)cc2)C1 ZINC000643455371 430602201 /nfs/dbraw/zinc/60/22/01/430602201.db2.gz AJGCDVSPDWZHBZ-SGMGOOAPSA-N 2 0 315.383 3.000 20 0 DFADRP CC(C)[C@H](C(=O)Nc1ccc2c(c1)C[NH2+]CC2)[NH+]1CCCCC1 ZINC000269196479 277874383 /nfs/dbraw/zinc/87/43/83/277874383.db2.gz IVEPCCQKGDDLSS-GOSISDBHSA-N 2 0 315.461 2.781 20 0 DFADRP CC[C@@H]([NH2+]C[C@H]1CCN(c2ccc(F)c(F)c2)C1)[C@@H]1CCC[NH2+]1 ZINC000643453057 430602276 /nfs/dbraw/zinc/60/22/76/430602276.db2.gz FGUAAWQDWHUGBL-XWIAVFTESA-N 2 0 323.431 2.911 20 0 DFADRP Cc1ccc(C[NH2+]CCCC[N@@H+]2CCC[C@H]2CO)c(Cl)c1 ZINC000570454668 430544413 /nfs/dbraw/zinc/54/44/13/430544413.db2.gz OFSAZLNTZCYSKF-INIZCTEOSA-N 2 0 310.869 2.975 20 0 DFADRP COc1ccc(C[NH+]2CCC(C[NH2+][C@H](C)[C@H](C)OC)CC2)cc1 ZINC000268879306 277889342 /nfs/dbraw/zinc/88/93/42/277889342.db2.gz FGNGNUNVUMEYGG-CVEARBPZSA-N 2 0 320.477 2.920 20 0 DFADRP OC[C@H](CCF)[NH2+][C@H]1CCN(C2CC2)[C@@H](c2ccccc2)C1 ZINC000639295543 430600724 /nfs/dbraw/zinc/60/07/24/430600724.db2.gz MPMYBQFOXUFTCB-XYJFISCASA-N 2 0 306.425 2.665 20 0 DFADRP Cc1cc(C)c(C[N@@H+](C)CC2CC[NH+](C[C@@H](C)O)CC2)c(C)n1 ZINC000639479042 430650615 /nfs/dbraw/zinc/65/06/15/430650615.db2.gz VNWAEZHRIMPADU-MRXNPFEDSA-N 2 0 319.493 2.531 20 0 DFADRP CC[NH+](CC)C[C@@H]1CC[N@H+](Cc2cccc3c2CCOC3)C1 ZINC000639505678 430657586 /nfs/dbraw/zinc/65/75/86/430657586.db2.gz RJFRQSCLEPZKMM-INIZCTEOSA-N 2 0 302.462 2.923 20 0 DFADRP CC[C@@H](Cc1ccc(F)cc1)[NH2+]C1CC[NH+](CC(C)(C)O)CC1 ZINC000639302222 430602878 /nfs/dbraw/zinc/60/28/78/430602878.db2.gz CICFTNZDIHOKQM-KRWDZBQOSA-N 2 0 322.468 2.972 20 0 DFADRP COc1ccc2[nH]cc(CC[NH2+][C@H](C)[C@@H]3CCCC[NH2+]3)c2c1 ZINC000643453658 430603040 /nfs/dbraw/zinc/60/30/40/430603040.db2.gz PWYKEMIXEOYVPD-DYVFJYSZSA-N 2 0 301.434 2.839 20 0 DFADRP Cc1ccc(CCC[NH2+][C@@H]2CCOC[C@H]2[C@@H]2CCC[NH2+]2)c(C)c1 ZINC000643457016 430603191 /nfs/dbraw/zinc/60/31/91/430603191.db2.gz CPIVFZCVDSKFFX-SLFFLAALSA-N 2 0 316.489 2.983 20 0 DFADRP [NH3+]CC1CCC([NH2+][C@@H]2CCN(c3ccc(F)cc3F)C2)CC1 ZINC000643463012 430603576 /nfs/dbraw/zinc/60/35/76/430603576.db2.gz ZSMMNCFZTLPANX-PESDSKBTSA-N 2 0 309.404 2.651 20 0 DFADRP [NH3+]CC1CCC([NH2+][C@H]2CCN(c3ccc(F)cc3F)C2)CC1 ZINC000643463013 430604004 /nfs/dbraw/zinc/60/40/04/430604004.db2.gz ZSMMNCFZTLPANX-ZALBZXLWSA-N 2 0 309.404 2.651 20 0 DFADRP Cc1ccccc1C[NH+]1CCC(N[C@H](C)[C@H]2CCC[NH2+]C2)CC1 ZINC000643463493 430604171 /nfs/dbraw/zinc/60/41/71/430604171.db2.gz GXZNIDPTKBDMTC-MSOLQXFVSA-N 2 0 315.505 2.937 20 0 DFADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]C[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000643457672 430604397 /nfs/dbraw/zinc/60/43/97/430604397.db2.gz WHZUABUHSHFPOR-YZGWKJHDSA-N 3 0 315.505 2.876 20 0 DFADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CCN(c2ccc(F)cc2F)C1 ZINC000643462723 430604504 /nfs/dbraw/zinc/60/45/04/430604504.db2.gz CQLXXVPSLZQNFY-NOLJZWGESA-N 2 0 309.404 2.651 20 0 DFADRP Cc1cc(F)ccc1C[C@@H](C)[NH2+]C1CC[NH+](CC(C)(C)O)CC1 ZINC000639305029 430604896 /nfs/dbraw/zinc/60/48/96/430604896.db2.gz IDCUBFXKELMZGW-OAHLLOKOSA-N 2 0 322.468 2.890 20 0 DFADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+][C@H]1CCN(c2ccc(F)cc2F)C1 ZINC000643462698 430604827 /nfs/dbraw/zinc/60/48/27/430604827.db2.gz BLEDJBFXAOOBEP-INWMFGNUSA-N 2 0 309.404 2.521 20 0 DFADRP C[C@H]([NH3+])C[C@H](C)N[C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000643480372 430606636 /nfs/dbraw/zinc/60/66/36/430606636.db2.gz CJMAJVYWXOAPAF-WAARBJQMSA-N 2 0 301.478 2.612 20 0 DFADRP CC(C)(O)C[NH+]1CCC([NH2+]C2CCC3(CC3(F)F)CC2)CC1 ZINC000639321184 430609076 /nfs/dbraw/zinc/60/90/76/430609076.db2.gz QLYASTJKLDJOBL-UHFFFAOYSA-N 2 0 316.436 2.779 20 0 DFADRP [NH3+]C1CCC([NH2+][C@@H](c2ccc(F)cc2)c2cnccn2)CC1 ZINC000643503582 430610244 /nfs/dbraw/zinc/61/02/44/430610244.db2.gz GWBPQKZDOJTHPA-DQPZFDDXSA-N 2 0 300.381 2.565 20 0 DFADRP C[C@H]([NH3+])c1ccc(C[NH2+][C@@H](C)c2cccc(-n3cnnn3)c2)cc1 ZINC000643513898 430611045 /nfs/dbraw/zinc/61/10/45/430611045.db2.gz IUWRRSIVZXUCNZ-KBPBESRZSA-N 2 0 322.416 2.533 20 0 DFADRP C[N@H+](Cc1ccccc1)C1CCC([NH2+]CCNC2CC2)CC1 ZINC000643507657 430611422 /nfs/dbraw/zinc/61/14/22/430611422.db2.gz LZKHINOLUCQTBY-UHFFFAOYSA-N 2 0 301.478 2.771 20 0 DFADRP OCC1CC([NH2+][C@H]2CCN(C3CC3)[C@H](c3ccccc3)C2)C1 ZINC000639334163 430613137 /nfs/dbraw/zinc/61/31/37/430613137.db2.gz ADBVQFOQWZUJTD-DRWNQKMKSA-N 2 0 300.446 2.715 20 0 DFADRP OCC1CC([NH2+][C@H]2CCN(C3CC3)[C@@H](c3ccccc3)C2)C1 ZINC000639334165 430613157 /nfs/dbraw/zinc/61/31/57/430613157.db2.gz ADBVQFOQWZUJTD-VHHHDHQQSA-N 2 0 300.446 2.715 20 0 DFADRP C[C@H]([NH2+][C@H]1CCC[NH2+]CC1)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000643522386 430613239 /nfs/dbraw/zinc/61/32/39/430613239.db2.gz MJHRRBRFRAXTIR-JSGCOSHPSA-N 2 0 301.434 2.709 20 0 DFADRP CC(C)(O)C[NH+]1CCC([NH2+]CC(C)(C)CC(F)(F)F)CC1 ZINC000639338847 430614343 /nfs/dbraw/zinc/61/43/43/430614343.db2.gz CJSXDRIEMFZODF-UHFFFAOYSA-N 2 0 310.404 2.790 20 0 DFADRP C[N@H+](Cc1ccccc1)C1CCC([NH2+]C[C@@H]2C[C@H](F)CN2)CC1 ZINC000643538843 430614679 /nfs/dbraw/zinc/61/46/79/430614679.db2.gz XMFBCRMBGPCWCM-BMHOQUIDSA-N 2 0 319.468 2.719 20 0 DFADRP c1ccc([C@H](C[C@@H]2CCOC2)[NH2+][C@@H]2CC23CC[NH2+]CC3)cc1 ZINC000643536516 430614724 /nfs/dbraw/zinc/61/47/24/430614724.db2.gz UOJPBEDNHFXPCX-RYQLBKOJSA-N 2 0 300.446 2.886 20 0 DFADRP C[C@H]([NH2+][C@@H]1CC12CC[NH2+]CC2)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000643536294 430614804 /nfs/dbraw/zinc/61/48/04/430614804.db2.gz SQINPVWTJTZGGZ-BLLLJJGKSA-N 2 0 313.445 2.709 20 0 DFADRP COc1ccc2c(c1)[C@@H]([NH2+][C@H]1CC13CC[NH2+]CC3)CCS2 ZINC000643535208 430614836 /nfs/dbraw/zinc/61/48/36/430614836.db2.gz KMOMWXUMGXDCLW-HOCLYGCPSA-N 2 0 304.459 2.964 20 0 DFADRP C[C@H]([NH2+][C@H]1CC12CC[NH2+]CC2)c1ncc(-c2ccccc2)n1C ZINC000643536728 430614922 /nfs/dbraw/zinc/61/49/22/430614922.db2.gz VDBDXKSDICJQQK-YOEHRIQHSA-N 2 0 310.445 2.880 20 0 DFADRP C[C@H]([NH2+]C[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1)c1cn[nH]c1 ZINC000643541273 430615459 /nfs/dbraw/zinc/61/54/59/430615459.db2.gz QWEPPZZIVGALRS-YLQAJVPDSA-N 2 0 302.397 2.593 20 0 DFADRP C[C@H](CC(=O)Nc1ccccc1)[NH2+][C@@H]1CC[NH2+]C2(CCC2)C1 ZINC000643545678 430615875 /nfs/dbraw/zinc/61/58/75/430615875.db2.gz AHUFSTHRIIETSU-GDBMZVCRSA-N 2 0 301.434 2.668 20 0 DFADRP Cc1nn(C(C)(C)C)cc1[C@H](C)[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000643548001 430616076 /nfs/dbraw/zinc/61/60/76/430616076.db2.gz JJMBOPXCPXQZLL-LCGIIJARSA-N 2 0 304.482 2.985 20 0 DFADRP C[C@@H]1C[C@@H](N[C@@H]2CC[NH2+]C3(CCC3)C2)C[N@@H+]1Cc1ccccc1 ZINC000643545948 430616276 /nfs/dbraw/zinc/61/62/76/430616276.db2.gz FYEGNDVXLXDMDK-BHIYHBOVSA-N 2 0 313.489 2.914 20 0 DFADRP Cc1nc([C@H](C)[NH2+]C2CCC(N3CC[NH2+]CC3)CC2)c(C)s1 ZINC000643543896 430616445 /nfs/dbraw/zinc/61/64/45/430616445.db2.gz VRUGPORYTAPAHR-JQRITLKVSA-N 2 0 322.522 2.627 20 0 DFADRP CCC[N@H+](CC)C[C@@H](C)NC(=O)c1ccc(CC[NH+](C)C)cc1 ZINC000571298811 430618959 /nfs/dbraw/zinc/61/89/59/430618959.db2.gz UHRDZNUATNGCQQ-MRXNPFEDSA-N 2 0 319.493 2.641 20 0 DFADRP C[C@@H]1CCCC[N@@H+]1CCC1CC[NH+](CCc2cnccn2)CC1 ZINC000639518257 430661143 /nfs/dbraw/zinc/66/11/43/430661143.db2.gz CXVPCDXCCCWMGP-QGZVFWFLSA-N 2 0 316.493 2.996 20 0 DFADRP C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1C[NH2+]C1CC(n2cccn2)C1 ZINC000639358803 430619596 /nfs/dbraw/zinc/61/95/96/430619596.db2.gz DMSFEZDGEWLVBS-FVPXHTFXSA-N 2 0 324.472 2.944 20 0 DFADRP Cc1cc(Cl)ccc1C[NH2+][C@@H]1CCC[C@@H]1N1CC[C@H](O)C1 ZINC000639370068 430622625 /nfs/dbraw/zinc/62/26/25/430622625.db2.gz BRBPXSKMYGCASE-BBWFWOEESA-N 2 0 308.853 2.726 20 0 DFADRP CCCOc1cccc(C[NH2+][C@@H]2CCC[C@@H]2N2CC[C@@H](O)C2)c1 ZINC000639370380 430622953 /nfs/dbraw/zinc/62/29/53/430622953.db2.gz NDZXBMOXKCNVNW-QRQLOZEOSA-N 2 0 318.461 2.553 20 0 DFADRP O[C@@H]1CCN([C@@H]2CCC[C@@H]2[NH2+][C@@H]2CC[C@@H](c3ccccc3)C2)C1 ZINC000639370607 430623169 /nfs/dbraw/zinc/62/31/69/430623169.db2.gz DAZYBFHXPLSMFW-LTFPLMDUSA-N 2 0 314.473 2.900 20 0 DFADRP CCSc1cccc(C[NH2+][C@@H]2CCC[C@@H]2N2CC[C@@H](O)C2)c1 ZINC000639371279 430623912 /nfs/dbraw/zinc/62/39/12/430623912.db2.gz GCROQSSHDBSMBF-NXHRZFHOSA-N 2 0 320.502 2.876 20 0 DFADRP C[C@H](C[NH2+][C@@H]1CCC[C@@H]1N1CC[C@@H](O)C1)c1cc(F)cc(F)c1 ZINC000639373662 430625187 /nfs/dbraw/zinc/62/51/87/430625187.db2.gz SQJZUZFAOMFDBC-BTPDRXCOSA-N 2 0 324.415 2.646 20 0 DFADRP CC1(c2ccccc2)CC([NH2+][C@@H]2CCC[C@@H]2N2CC[C@@H](O)C2)C1 ZINC000639373249 430625562 /nfs/dbraw/zinc/62/55/62/430625562.db2.gz PEKXCNKIDXFNPS-OSVATCMCSA-N 2 0 314.473 2.684 20 0 DFADRP CC(C)[N@H+](C)CC1CC[NH+](Cc2cc(=O)[nH]c(C3CC3)n2)CC1 ZINC000571405346 430625589 /nfs/dbraw/zinc/62/55/89/430625589.db2.gz OMGWWMKMDDICKS-UHFFFAOYSA-N 2 0 318.465 2.612 20 0 DFADRP CC(C)[C@H](CO)C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000554096970 430629095 /nfs/dbraw/zinc/62/90/95/430629095.db2.gz SXQKNAXRBNLPNY-NZSAHSFTSA-N 2 0 304.478 2.751 20 0 DFADRP C[C@H]1CCCN(c2cc(NC[C@H]3CC[N@@H+](C4CC4)C3)ncn2)C1 ZINC000554211565 430630510 /nfs/dbraw/zinc/63/05/10/430630510.db2.gz ZVFRIHYPJNIJKW-LSDHHAIUSA-N 2 0 315.465 2.609 20 0 DFADRP CC[NH+]1CCC(NC(=O)C[N@@H+]2CC[C@@H](C(C)(C)C)C[C@@H]2C)CC1 ZINC000554310932 430633071 /nfs/dbraw/zinc/63/30/71/430633071.db2.gz UPRIWKPFNPLSHP-JKSUJKDBSA-N 2 0 323.525 2.734 20 0 DFADRP CCC[C@@H](O)C[NH2+][C@@H]1CCN(Cc2ccccc2)C2(CC2)C1 ZINC000571641152 430643739 /nfs/dbraw/zinc/64/37/39/430643739.db2.gz DJMYSNZWSFERHB-QZTJIDSGSA-N 2 0 302.462 2.934 20 0 DFADRP Cc1cc(C)c(C[NH+]2CCC(C[NH+]3CCOCC3)CC2)c(C)n1 ZINC000639452406 430643910 /nfs/dbraw/zinc/64/39/10/430643910.db2.gz BHPPPYCKEDRUJY-UHFFFAOYSA-N 2 0 317.477 2.551 20 0 DFADRP CC[NH+](CC)CCCC1CC[NH+](C[C@@H]2CCc3ncnn32)CC1 ZINC000639575377 430674517 /nfs/dbraw/zinc/67/45/17/430674517.db2.gz CENPXXQHPIBCMW-KRWDZBQOSA-N 2 0 319.497 2.599 20 0 DFADRP C[C@@H]1OCC[C@H]1C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000639589044 430677912 /nfs/dbraw/zinc/67/79/12/430677912.db2.gz IRSLIDMAAVUSTD-NEPXVJNWSA-N 2 0 302.462 2.912 20 0 DFADRP CCC(C)(C)[C@@H](C)[NH2+]Cc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000572354702 430683003 /nfs/dbraw/zinc/68/30/03/430683003.db2.gz GBOAMHPRDPNDBH-OAHLLOKOSA-N 2 0 304.482 2.748 20 0 DFADRP C[C@@H]1C[C@H]([NH2+]C[C@H]2CCCN(c3ccccc3)C2)CC[N@@H+]1C ZINC000369461950 278026807 /nfs/dbraw/zinc/02/68/07/278026807.db2.gz GZGDUMKWJOVZGD-KZNAEPCWSA-N 2 0 301.478 2.975 20 0 DFADRP c1c(C[NH2+][C@@H]2CCOC[C@@H]2[C@H]2CCC[NH2+]2)sc2c1CCCC2 ZINC000572593262 430691238 /nfs/dbraw/zinc/69/12/38/430691238.db2.gz AATAHTVVQHXHRQ-BRWVUGGUSA-N 2 0 320.502 2.874 20 0 DFADRP Cc1c(F)cccc1NC(=O)CC[N@@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000572603095 430692002 /nfs/dbraw/zinc/69/20/02/430692002.db2.gz SVHCIFNBLLEETL-SFHVURJKSA-N 2 0 319.424 2.538 20 0 DFADRP CN1CCN(c2ncc(-c3ccc(Cl)cc3)s2)[C@@H](C[NH3+])C1 ZINC000572501771 430689142 /nfs/dbraw/zinc/68/91/42/430689142.db2.gz QZZVWJINFHIWPP-ZDUSSCGKSA-N 2 0 322.865 2.543 20 0 DFADRP C[C@H](C[NH2+][C@@H]1CC(C)(C)Cc2occc21)N1CC[NH+](C)CC1 ZINC000127468381 278209306 /nfs/dbraw/zinc/20/93/06/278209306.db2.gz OLFXFCBMOMTBEV-GDBMZVCRSA-N 2 0 305.466 2.519 20 0 DFADRP C[C@H]([NH3+])CCC(=O)N(C)[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000248836672 278224849 /nfs/dbraw/zinc/22/48/49/278224849.db2.gz DEHNEPPIGZXATQ-BQFCYCMXSA-N 2 0 317.477 2.625 20 0 DFADRP C[C@@H](CN1CC[NH+](C)CC1)[NH2+][C@H]1CCc2cc(Cl)ccc21 ZINC000155098478 278261239 /nfs/dbraw/zinc/26/12/39/278261239.db2.gz RNBRRSIYGVZXKD-GUYCJALGSA-N 2 0 307.869 2.553 20 0 DFADRP C[C@@H]([NH2+]CCCOc1cccc2cccnc21)[C@H]1CCC[NH2+]C1 ZINC000572951424 430698186 /nfs/dbraw/zinc/69/81/86/430698186.db2.gz QHOJPGJQLCDNPR-WBVHZDCISA-N 2 0 313.445 2.981 20 0 DFADRP C[C@H]1CCC[N@H+](CCCC[NH2+][C@H]2CCCc3nn(C)cc32)C1 ZINC000358913648 278341821 /nfs/dbraw/zinc/34/18/21/278341821.db2.gz ITHXXKCDUWAVNH-RDJZCZTQSA-N 2 0 304.482 2.899 20 0 DFADRP CC(C)(C)[NH+]1CCC([NH2+][C@@H]2CCOC3(CCOCC3)C2)CC1 ZINC000358284169 278341982 /nfs/dbraw/zinc/34/19/82/278341982.db2.gz FFESQXJQESJULI-MRXNPFEDSA-N 2 0 310.482 2.567 20 0 DFADRP Clc1cccc(-c2noc(CC[NH2+][C@@H]3CCC[NH2+]CC3)n2)c1 ZINC000572990657 430699123 /nfs/dbraw/zinc/69/91/23/430699123.db2.gz ZABVNWIWSKBWHE-CQSZACIVSA-N 2 0 320.824 2.664 20 0 DFADRP C[C@@H](N[C@H]1C[N@@H+](C2CC2)C[C@H]1C)[C@@H]1CCC[NH+](C2CCC2)C1 ZINC000358464559 278388597 /nfs/dbraw/zinc/38/85/97/278388597.db2.gz DYIMYPPGYCVZMH-NNFUDEMPSA-N 2 0 305.510 2.712 20 0 DFADRP C[C@@H](O)C[N@H+](C)C1CC[NH+](C[C@H]2CCCC(F)(F)C2)CC1 ZINC000338317239 278393026 /nfs/dbraw/zinc/39/30/26/278393026.db2.gz PLQAYRKABGKQBN-KGLIPLIRSA-N 2 0 304.425 2.589 20 0 DFADRP OC[C@H](C[NH2+]C1CC[NH+](CCc2ccccc2)CC1)CC1CC1 ZINC000657712849 430716005 /nfs/dbraw/zinc/71/60/05/430716005.db2.gz BDLMDOZQZCZKPF-IBGZPJMESA-N 2 0 316.489 2.692 20 0 DFADRP Cc1ccc2cc(C[NH2+]C3CCN([C@H]4CCOC4)CC3)[nH]c2c1 ZINC000657752185 430725125 /nfs/dbraw/zinc/72/51/25/430725125.db2.gz MVAMZMVORZKFPD-SFHVURJKSA-N 2 0 313.445 2.819 20 0 DFADRP Fc1ccc(/C=C/C[NH2+]C2CCN([C@H]3CCOC3)CC2)cc1F ZINC000657753186 430726390 /nfs/dbraw/zinc/72/63/90/430726390.db2.gz VEIIRENVLBZZCC-PYKQWIPUSA-N 2 0 322.399 2.821 20 0 DFADRP COc1ccccc1/C=C/C[NH2+]C1CCN([C@@H]2CCOC2)CC1 ZINC000657751339 430726516 /nfs/dbraw/zinc/72/65/16/430726516.db2.gz QMKJZQSVMIAWID-MJICGBHWSA-N 2 0 316.445 2.551 20 0 DFADRP Fc1ccc(/C=C/C[NH2+]C2CCN([C@H]3CCOC3)CC2)cc1 ZINC000657752351 430726543 /nfs/dbraw/zinc/72/65/43/430726543.db2.gz YUXWQOIFCJUYHR-KROLTMCQSA-N 2 0 304.409 2.682 20 0 DFADRP Fc1ccc2c(c1)C[C@@H]1[C@@H]([NH2+]Cc3ccnn3-c3cc[nH+]cc3)[C@H]21 ZINC000657788353 430734661 /nfs/dbraw/zinc/73/46/61/430734661.db2.gz JFRPGWBSNCOTML-IPMKNSEASA-N 2 0 320.371 2.834 20 0 DFADRP Cn1ncc(C2CC2)c1C[NH2+]CC1CC[NH+](CC2CC2)CC1 ZINC000657816570 430743531 /nfs/dbraw/zinc/74/35/31/430743531.db2.gz XLPKWLCNCUJSCG-UHFFFAOYSA-N 2 0 302.466 2.509 20 0 DFADRP COc1cccc(OC)c1C[NH2+]CC1CC[NH+](CC2CC2)CC1 ZINC000657813649 430744544 /nfs/dbraw/zinc/74/45/44/430744544.db2.gz WJGMAVNJEQFCLF-UHFFFAOYSA-N 2 0 318.461 2.915 20 0 DFADRP CN1CCC[C@H]([NH2+][C@H](C[C@H]2CCOC2)c2ccc(F)cc2)C1 ZINC000644533895 430745815 /nfs/dbraw/zinc/74/58/15/430745815.db2.gz PJYYCRNFPOKNLW-FHLIZLRMSA-N 2 0 306.425 2.977 20 0 DFADRP COC[C@H](CC1CCOCC1)[NH2+]C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000657827356 430745968 /nfs/dbraw/zinc/74/59/68/430745968.db2.gz ZIZAUIWDANSDQL-HNNXBMFYSA-N 2 0 312.498 2.717 20 0 DFADRP COC[C@H](CC1CCOCC1)[NH2+]CCC[N@@H+]1CCCC[C@H]1C ZINC000657823836 430746151 /nfs/dbraw/zinc/74/61/51/430746151.db2.gz OTSASIZEZCIVNA-AEFFLSMTSA-N 2 0 312.498 2.672 20 0 DFADRP CCN1CC[NH+](CCCC[NH2+][C@H]2[C@@H]3CCC[C@@H]3C2(C)C)CC1 ZINC000657835052 430749933 /nfs/dbraw/zinc/74/99/33/430749933.db2.gz KCOBMVABHUWMAE-SQNIBIBYSA-N 2 0 307.526 2.818 20 0 DFADRP CC[C@H]([NH2+]C[C@H](O)CN(C)Cc1ccccc1)c1ccncc1 ZINC000644573593 430756523 /nfs/dbraw/zinc/75/65/23/430756523.db2.gz QQAOOTPOVXKFQI-OALUTQOASA-N 2 0 313.445 2.615 20 0 DFADRP CC[C@H](Cc1ccc(Cl)cc1)[NH2+][C@@H](C)CN1CC[NH+](C)CC1 ZINC000657877047 430759438 /nfs/dbraw/zinc/75/94/38/430759438.db2.gz BGXOBURTXMYWBR-MAUKXSAKSA-N 2 0 323.912 2.887 20 0 DFADRP C[C@H]([NH2+]CCN1CCC([NH+](C)C)CC1)c1cc2cnccc2o1 ZINC000657897054 430763414 /nfs/dbraw/zinc/76/34/14/430763414.db2.gz DIHFXVDARSZPMA-AWEZNQCLSA-N 2 0 316.449 2.504 20 0 DFADRP CC1=CCC[C@H](C)[C@H]1C[NH2+][C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000373459577 278498957 /nfs/dbraw/zinc/49/89/57/278498957.db2.gz MORRMPVTZXFSCF-SCTDSRPQSA-N 2 0 305.510 2.737 20 0 DFADRP C[NH+]1CCN(c2ccc(N[C@@H]3CCCSCC3)nc2)CC1 ZINC000657944139 430773597 /nfs/dbraw/zinc/77/35/97/430773597.db2.gz YUYIBBPAYXWFLM-CQSZACIVSA-N 2 0 306.479 2.531 20 0 DFADRP O[C@H]1CC[N@H+](Cc2ccccc2C[NH2+][C@@H]2CCCSCC2)C1 ZINC000657969740 430777644 /nfs/dbraw/zinc/77/76/44/430777644.db2.gz UJIYHMZTEVDLBP-MSOLQXFVSA-N 2 0 320.502 2.629 20 0 DFADRP Cc1nc(C)c([C@@H](C)[NH2+][C@@H](C)CN(C)CCC[NH+](C)C)s1 ZINC000658106785 430812699 /nfs/dbraw/zinc/81/26/99/430812699.db2.gz CMVYNWYOIQWGFA-QWHCGFSZSA-N 2 0 312.527 2.683 20 0 DFADRP COc1ccc([C@H](C)[NH2+][C@@H](C)CN(C)CCC[NH+](C)C)cc1 ZINC000658106815 430813137 /nfs/dbraw/zinc/81/31/37/430813137.db2.gz DTGLXMVVSDOMRU-HOTGVXAUSA-N 2 0 307.482 2.618 20 0 DFADRP Cc1nc(C)c([C@H](C)[NH2+][C@@H](C)CN(C)CCC[NH+](C)C)s1 ZINC000658106786 430813433 /nfs/dbraw/zinc/81/34/33/430813433.db2.gz CMVYNWYOIQWGFA-STQMWFEESA-N 2 0 312.527 2.683 20 0 DFADRP C[C@@H](Cc1ccoc1)[NH2+]Cc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1 ZINC000658139296 430822206 /nfs/dbraw/zinc/82/22/06/430822206.db2.gz QMCCFDTWXAFWQY-KXBFYZLASA-N 2 0 314.429 2.567 20 0 DFADRP Cn1cncc1CCCN1CCOC[C@@H]1c1cccc(F)c1 ZINC000661733342 430822876 /nfs/dbraw/zinc/82/28/76/430822876.db2.gz ANHPVRMKTCOZHO-QGZVFWFLSA-N 2 0 303.381 2.565 20 0 DFADRP O[C@@H]1CC[N@H+](Cc2ccc(C[NH2+]C3Cc4ccccc4C3)cc2)C1 ZINC000658147376 430826093 /nfs/dbraw/zinc/82/60/93/430826093.db2.gz ZOZHDLDGNWAOPY-OAQYLSRUSA-N 2 0 322.452 2.510 20 0 DFADRP C[C@H]([NH2+][C@H]1CCN(C2CC[NH+](C)CC2)C1)[C@H]1CCCC[C@H]1C ZINC000648450652 430790534 /nfs/dbraw/zinc/79/05/34/430790534.db2.gz ZMABPLRHGFSSPP-DFEOGRTESA-N 2 0 307.526 2.959 20 0 DFADRP C[C@H]([NH2+][C@H]1COC(C)(C)C1)c1ccc(OCC[NH+](C)C)cc1 ZINC000658057935 430796602 /nfs/dbraw/zinc/79/66/02/430796602.db2.gz KDRGQWZZYBEFHA-GOEBONIOSA-N 2 0 306.450 2.845 20 0 DFADRP Cc1ncc([C@@H](C)[NH2+]CC2CC[NH+](C3CCOCC3)CC2)s1 ZINC000658066959 430797315 /nfs/dbraw/zinc/79/73/15/430797315.db2.gz HULKEZKAXLICTC-CYBMUJFWSA-N 2 0 323.506 2.993 20 0 DFADRP C[C@@H]([NH2+]CC1CC[NH+](C2CCOCC2)CC1)c1nccs1 ZINC000658068787 430797441 /nfs/dbraw/zinc/79/74/41/430797441.db2.gz ZWTJIRBTSYQFJY-CYBMUJFWSA-N 2 0 309.479 2.685 20 0 DFADRP CC1(C)C[C@@H]([NH2+]CC2CC[NH+](C3CCOCC3)CC2)C(C)(C)O1 ZINC000658069306 430798221 /nfs/dbraw/zinc/79/82/21/430798221.db2.gz LZOPBQWZJJTQGK-QGZVFWFLSA-N 2 0 324.509 2.813 20 0 DFADRP C[C@@H](Cc1ccoc1)[NH2+]CC1CC[NH+](C2CCOCC2)CC1 ZINC000658070121 430798344 /nfs/dbraw/zinc/79/83/44/430798344.db2.gz LXHMNYWKSNCKPG-HNNXBMFYSA-N 2 0 306.450 2.691 20 0 DFADRP CC(C)[NH+]1CCC(O)(C[NH2+][C@@H]2CCCc3ccccc3C2)CC1 ZINC000648472248 430798396 /nfs/dbraw/zinc/79/83/96/430798396.db2.gz DARVDAFYBIQGOK-LJQANCHMSA-N 2 0 316.489 2.759 20 0 DFADRP C[C@@H]([NH2+]CC1CC[NH+](C2CCOCC2)CC1)c1cscn1 ZINC000658067370 430798505 /nfs/dbraw/zinc/79/85/05/430798505.db2.gz MXNNSGXIIVATPK-CYBMUJFWSA-N 2 0 309.479 2.685 20 0 DFADRP C[C@@H]([NH2+]CC1CC[NH+](C2CCOCC2)CC1)c1cccc(O)c1 ZINC000658068687 430798514 /nfs/dbraw/zinc/79/85/14/430798514.db2.gz YCOAPJAMSXJPRR-OAHLLOKOSA-N 2 0 318.461 2.934 20 0 DFADRP COC[C@H](CC[NH2+]C1CC[NH+]([C@@H]2CCCC[C@H]2C)CC1)OC ZINC000658083768 430804509 /nfs/dbraw/zinc/80/45/09/430804509.db2.gz BZUKFVDUWMKQCO-BPQIPLTHSA-N 2 0 312.498 2.671 20 0 DFADRP C[C@H]1CCCCC[C@H]1[NH2+]Cc1ccnc(N2CC[NH+](C)CC2)c1 ZINC000651679285 430848191 /nfs/dbraw/zinc/84/81/91/430848191.db2.gz VYAWPDXUADHOBY-FUHWJXTLSA-N 2 0 316.493 2.892 20 0 DFADRP CC(C)(CO)CC[NH2+]Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000648674190 430851208 /nfs/dbraw/zinc/85/12/08/430851208.db2.gz DREQVCGXOZGXRU-UHFFFAOYSA-N 2 0 320.477 2.659 20 0 DFADRP C[C@H]([NH2+][C@H]1C[C@H](O)C12CCC2)c1cccc(OCC[NH+](C)C)c1 ZINC000658254451 430853682 /nfs/dbraw/zinc/85/36/82/430853682.db2.gz NSKGVFAALCNBQF-WBAXXEDZSA-N 2 0 318.461 2.581 20 0 DFADRP C[C@H]([NH2+]C[C@@H](CO)CC1CC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000658257285 430855596 /nfs/dbraw/zinc/85/55/96/430855596.db2.gz ZEYYRJNDCADNNY-FFZOFVMBSA-N 2 0 316.489 2.895 20 0 DFADRP C[C@H]([NH3+])[C@@H]1COCC[C@H]1[NH2+]C[C@]1(c2ccccc2)CC1(C)C ZINC000665299308 430889103 /nfs/dbraw/zinc/88/91/03/430889103.db2.gz KERLXGQLIWYUFZ-RMRDIRSESA-N 2 0 302.462 2.696 20 0 DFADRP COc1cc(F)c(C[NH2+]C[C@@H]2CCCn3ccnc32)cc1OC ZINC000651721711 430857742 /nfs/dbraw/zinc/85/77/42/430857742.db2.gz OGUIRPMDMWSWGJ-LBPRGKRZSA-N 2 0 319.380 2.707 20 0 DFADRP COC[C@H](CC(C)(C)C)[NH2+]C1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000651719629 430858409 /nfs/dbraw/zinc/85/84/09/430858409.db2.gz ZSHFLBADLLWJBA-RDJZCZTQSA-N 2 0 312.498 2.528 20 0 DFADRP C[C@H]([NH3+])[C@H]1COCC[C@@H]1[NH2+]Cc1cc(Cl)cc(Cl)c1 ZINC000665229408 430861247 /nfs/dbraw/zinc/86/12/47/430861247.db2.gz XQVSBJXRTABCHZ-FZZIBODNSA-N 2 0 303.233 2.835 20 0 DFADRP C[C@@H]([NH2+]C[C@@H]1CCN(c2ccccc2Cl)C1)[C@H]1CCC[NH2+]1 ZINC000665233268 430864241 /nfs/dbraw/zinc/86/42/41/430864241.db2.gz CTCZWXVLBZWPOU-IJEWVQPXSA-N 2 0 307.869 2.896 20 0 DFADRP Cc1ccc(CC[NH2+][C@@H]2CCOC[C@@H]2[C@H]2CCC[NH2+]2)cc1C ZINC000665245236 430866013 /nfs/dbraw/zinc/86/60/13/430866013.db2.gz CILPUGDWXKJZLD-GUDVDZBRSA-N 2 0 302.462 2.593 20 0 DFADRP Cc1nn(-c2cccc(C)c2)cc1C[NH2+]CC1=CC[N@H+](C)CC1 ZINC000651748171 430868026 /nfs/dbraw/zinc/86/80/26/430868026.db2.gz AQOPMVZVJABYRR-UHFFFAOYSA-N 2 0 310.445 2.841 20 0 DFADRP C[C@H](COc1c(F)cccc1F)[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000665261807 430873992 /nfs/dbraw/zinc/87/39/92/430873992.db2.gz LWOGXKIFJRHMIM-XJFOESAGSA-N 2 0 310.388 2.710 20 0 DFADRP COc1ccc(-c2cc(C[NH2+][C@H](C)CCCC[NH3+])on2)cc1 ZINC000665262225 430875615 /nfs/dbraw/zinc/87/56/15/430875615.db2.gz WLIOJKMQQPPMKH-CYBMUJFWSA-N 2 0 303.406 2.957 20 0 DFADRP CC(C)(C)[NH+]1CCC([NH2+]CC2(O)CCC(F)(F)CC2)CC1 ZINC000658324050 430876822 /nfs/dbraw/zinc/87/68/22/430876822.db2.gz YVJFGXQNXGZQAY-UHFFFAOYSA-N 2 0 304.425 2.779 20 0 DFADRP C[C@H](c1ccccc1)[C@H](O)C[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@H]21 ZINC000658337945 430878671 /nfs/dbraw/zinc/87/86/71/430878671.db2.gz BLTOVRHKLUTGGU-RSRPTUBKSA-N 2 0 302.462 2.613 20 0 DFADRP CCO[C@@H]1C[C@@H]([NH2+]CC[C@@H]([NH3+])C(C)C)[C@H]1Oc1ccccc1 ZINC000665281566 430880355 /nfs/dbraw/zinc/88/03/55/430880355.db2.gz GYIQGHLDMGMGBE-BRSBDYLESA-N 2 0 306.450 2.574 20 0 DFADRP CC(C)[C@H]([NH3+])CC[NH2+][C@H](C)c1cccc(N2CCOCC2)c1 ZINC000665281198 430881770 /nfs/dbraw/zinc/88/17/70/430881770.db2.gz WWICKKXWQFWLAB-CRAIPNDOSA-N 2 0 305.466 2.547 20 0 DFADRP CCC[C@@H](C)[C@H](CC)[NH2+]C1CCN(C(=O)CCC[NH2+]C)CC1 ZINC000665287227 430882695 /nfs/dbraw/zinc/88/26/95/430882695.db2.gz FSPGUVMFPSDPFH-WBVHZDCISA-N 2 0 311.514 2.781 20 0 DFADRP CO[C@@H](C[NH2+]Cc1cc(C2CC[NH2+]CC2)no1)C1CCCCC1 ZINC000665283993 430883583 /nfs/dbraw/zinc/88/35/83/430883583.db2.gz YLYOIKYLQBPIIR-SFHVURJKSA-N 2 0 321.465 2.827 20 0 DFADRP OCC1CC([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@H]3CCC[C@H]32)C1 ZINC000658353770 430883990 /nfs/dbraw/zinc/88/39/90/430883990.db2.gz RSCNSVMIJHYRPS-VWAQSERHSA-N 2 0 314.473 2.790 20 0 DFADRP Fc1ccc(OC(F)F)c(C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000665283858 430885040 /nfs/dbraw/zinc/88/50/40/430885040.db2.gz WJLLYKLEGVWEKL-COPLHBTASA-N 2 0 314.351 2.905 20 0 DFADRP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+]1CCC[C@H](OC(C)C)C1 ZINC000651897942 430908069 /nfs/dbraw/zinc/90/80/69/430908069.db2.gz OSODSWUNTNNGMZ-SFHVURJKSA-N 2 0 314.433 2.965 20 0 DFADRP CC[N@H+](CCC[NH2+]CC1(OC)CCOCC1)C1CCCCC1 ZINC000651910184 430912016 /nfs/dbraw/zinc/91/20/16/430912016.db2.gz KDUOEOHNLNKLPB-UHFFFAOYSA-N 2 0 312.498 2.816 20 0 DFADRP COC1(CC[NH2+]Cc2ccc(OCC[NH+](C)C)cc2)CCC1 ZINC000645187535 430930395 /nfs/dbraw/zinc/93/03/95/430930395.db2.gz WHRQULDQNRVILW-UHFFFAOYSA-N 2 0 306.450 2.676 20 0 DFADRP OC[C@H](CCF)[NH2+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000652020148 430938292 /nfs/dbraw/zinc/93/82/92/430938292.db2.gz MJNZOLLHVRDHGX-FCGDIQPGSA-N 2 0 320.452 2.597 20 0 DFADRP C[C@@H]1CCC[C@H]([NH+]2CCC([NH2+]CC[C@]3(O)CCCOC3)CC2)C1 ZINC000652045555 430943348 /nfs/dbraw/zinc/94/33/48/430943348.db2.gz BDBLQBIUEYGERS-NZSAHSFTSA-N 2 0 324.509 2.551 20 0 DFADRP C[C@@H]1CCC[C@H]([NH+]2CCC([NH2+]CC[C@@]3(O)CCCOC3)CC2)C1 ZINC000652045554 430943968 /nfs/dbraw/zinc/94/39/68/430943968.db2.gz BDBLQBIUEYGERS-NEWSRXKRSA-N 2 0 324.509 2.551 20 0 DFADRP Cc1cc(C[NH3+])cc(NC(=O)NC[C@H]2CC[N@@H+](C(C)(C)C)C2)c1 ZINC000659024274 430944714 /nfs/dbraw/zinc/94/47/14/430944714.db2.gz ZGKXWOTXQAFURB-CQSZACIVSA-N 2 0 318.465 2.696 20 0 DFADRP O[C@@H]1CC[N@@H+](C2CCN(Cc3ccc(C(F)F)cc3)CC2)C1 ZINC000662153022 430979421 /nfs/dbraw/zinc/97/94/21/430979421.db2.gz MDKHGVCJDIYLEF-MRXNPFEDSA-N 2 0 310.388 2.655 20 0 DFADRP CC[C@@H](c1ccc(F)cc1F)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000662152507 430980074 /nfs/dbraw/zinc/98/00/74/430980074.db2.gz GQUTXIHYGGUQOT-QAPCUYQASA-N 2 0 324.415 2.947 20 0 DFADRP O[C@H]1CC[N@@H+](C2CCN([C@H]3CCCc4ccc(F)cc43)CC2)C1 ZINC000662154535 430980127 /nfs/dbraw/zinc/98/01/27/430980127.db2.gz XTJMIXYIIOMDKU-HKUYNNGSSA-N 2 0 318.436 2.734 20 0 DFADRP O[C@H]1CC[N@@H+](C2CCN(Cc3cccc(C(F)F)c3)CC2)C1 ZINC000662152323 430981139 /nfs/dbraw/zinc/98/11/39/430981139.db2.gz RPYGNZDBXDFDIG-INIZCTEOSA-N 2 0 310.388 2.655 20 0 DFADRP O[C@@H]1CC[N@@H+](C2CCN(C/C=C\c3ccc(Cl)cc3)CC2)C1 ZINC000662152414 430981421 /nfs/dbraw/zinc/98/14/21/430981421.db2.gz UNWUHOKJYVNPKB-QFRLHKFZSA-N 2 0 320.864 2.884 20 0 DFADRP CCCOc1ccc(CN2CCC([N@@H+]3CC[C@H](O)C3)CC2)cc1 ZINC000662153050 430981679 /nfs/dbraw/zinc/98/16/79/430981679.db2.gz MROLHLNKEITMGX-SFHVURJKSA-N 2 0 318.461 2.506 20 0 DFADRP CC[NH+](CC)[C@H](C)CNC(=O)C(C)(C)[C@H]([NH3+])c1ccccc1 ZINC000645472840 431011825 /nfs/dbraw/zinc/01/18/25/431011825.db2.gz MBAFQJOFUPVCHZ-GDBMZVCRSA-N 2 0 305.466 2.559 20 0 DFADRP CC[C@H]([NH2+]C)C(=O)NCc1ccc(C[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000662389583 431069302 /nfs/dbraw/zinc/06/93/02/431069302.db2.gz YGLGJKUAPAISBB-YJBOKZPZSA-N 2 0 317.477 2.675 20 0 DFADRP C[NH2+]C[C@](C)(O)C[NH2+][C@H](c1cccc(C(F)(F)F)c1)C1CC1 ZINC000652341536 431025815 /nfs/dbraw/zinc/02/58/15/431025815.db2.gz XFFANAOSSSRMQZ-GJZGRUSLSA-N 2 0 316.367 2.717 20 0 DFADRP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCC[N@H+](CCCc3ccsc3)C2)C1 ZINC000652349313 431026695 /nfs/dbraw/zinc/02/66/95/431026695.db2.gz KGFWIRBAECBDFV-GVDBMIGSSA-N 2 0 308.491 2.899 20 0 DFADRP C[C@@H]1CCCC[C@@H]1OCC[N@@H+]1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000652348222 431027082 /nfs/dbraw/zinc/02/70/82/431027082.db2.gz YEKLOFKKVIJVHR-BCYZHJNNSA-N 2 0 324.509 2.800 20 0 DFADRP CC(C)c1cccc(C[N@@H+]2CCCC[C@@H]2CNC(=O)CC[NH3+])c1 ZINC000662271490 431027184 /nfs/dbraw/zinc/02/71/84/431027184.db2.gz HSHPWCYJERMJIG-GOSISDBHSA-N 2 0 317.477 2.630 20 0 DFADRP [NH3+][C@@H]1CCO[C@H]1C1CC[NH+](CCSc2ccc(F)cc2)CC1 ZINC000662273343 431030855 /nfs/dbraw/zinc/03/08/55/431030855.db2.gz MILLJYKXPUVGNQ-SJORKVTESA-N 2 0 324.465 2.746 20 0 DFADRP CC1(C)CCCC[C@@H]1C[N@@H+]1CCC[C@H](n2cc(C[NH3+])nn2)C1 ZINC000662280082 431033281 /nfs/dbraw/zinc/03/32/81/431033281.db2.gz CFQJDJBJRFNDQL-ZBFHGGJFSA-N 2 0 305.470 2.590 20 0 DFADRP CN(CC[NH+]1CCC([C@@H]2CCC[NH2+]C2)CC1)c1ccccc1 ZINC000662295037 431034378 /nfs/dbraw/zinc/03/43/78/431034378.db2.gz YLKNOFPLMQAPQD-GOSISDBHSA-N 2 0 301.478 2.834 20 0 DFADRP c1cc(CC[NH+]2CCC([C@H]3CCC[NH2+]C3)CC2)cc2c1OCC2 ZINC000662291147 431034470 /nfs/dbraw/zinc/03/44/70/431034470.db2.gz BVSUDSLOTURKIJ-IBGZPJMESA-N 2 0 314.473 2.876 20 0 DFADRP CO[C@H](C[N@@H+]1CCCC[C@@H]1[C@H]1C[C@@H]([NH3+])CCO1)c1ccccc1 ZINC000662285162 431034758 /nfs/dbraw/zinc/03/47/58/431034758.db2.gz YJEPTXIURBCANW-WJFTUGDTSA-N 2 0 318.461 2.735 20 0 DFADRP O=C(C[N@@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1)NC1CCCCCC1 ZINC000662293650 431036262 /nfs/dbraw/zinc/03/62/62/431036262.db2.gz HFFCYKIADBDMDO-QGZVFWFLSA-N 2 0 321.509 2.537 20 0 DFADRP C[C@@H]1C[N@H+](C[C@H]2CCC3(C[NH2+]C3)O2)CCc2ccc(Cl)cc21 ZINC000662286599 431036335 /nfs/dbraw/zinc/03/63/35/431036335.db2.gz RLKIWLGKIOAYKN-CZUORRHYSA-N 2 0 320.864 2.823 20 0 DFADRP CC(C)c1noc([C@@H](C)[N@@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)n1 ZINC000662295905 431038214 /nfs/dbraw/zinc/03/82/14/431038214.db2.gz IQWYIGPLHSVWEF-HIFRSBDPSA-N 2 0 306.454 2.966 20 0 DFADRP [NH3+][C@@H](Cc1ccccc1)[C@@H](O)C[N@@H+]1CCCC2(CCCC2)CC1 ZINC000662299677 431038253 /nfs/dbraw/zinc/03/82/53/431038253.db2.gz USUSQYWJLLIOEZ-OALUTQOASA-N 2 0 316.489 2.964 20 0 DFADRP Cn1cc(C[C@@H]2CCC[C@H]2[NH2+]Cc2ccc3c(c2)C[NH2+]CC3)cn1 ZINC000662311552 431041665 /nfs/dbraw/zinc/04/16/65/431041665.db2.gz UKHNTQREGGDIQO-AZUAARDMSA-N 2 0 324.472 2.567 20 0 DFADRP COc1ccccc1OCC[N@@H+]1CCC[C@@H](C)[C@H]1CCC[NH3+] ZINC000662312374 431042034 /nfs/dbraw/zinc/04/20/34/431042034.db2.gz BCLFLRULWXLHBL-HZPDHXFCSA-N 2 0 306.450 2.913 20 0 DFADRP Cn1cc(C[C@H]2CCC[C@@H]2[NH2+]CCCC2CC[NH2+]CC2)cn1 ZINC000662310686 431042354 /nfs/dbraw/zinc/04/23/54/431042354.db2.gz MKHWFOFRZBIRMK-MSOLQXFVSA-N 2 0 304.482 2.501 20 0 DFADRP CC(C)C[C@H](C)N(C)C(=O)C[N@@H+]1CCC[C@@H](C)[C@H]1CCC[NH3+] ZINC000662315750 431043911 /nfs/dbraw/zinc/04/39/11/431043911.db2.gz SQOXCBANQUQIFJ-IXDOHACOSA-N 2 0 311.514 2.719 20 0 DFADRP C[C@@H]1CCCN(C(=O)C[C@H]2[NH2+]Cc3ccccc32)[C@@H]1CCC[NH3+] ZINC000659375852 431043885 /nfs/dbraw/zinc/04/38/85/431043885.db2.gz RANOHEKQUVZBQP-ZTFGCOKTSA-N 2 0 315.461 2.587 20 0 DFADRP C[C@@H]1CCC[N@H+](Cc2nc(N)c3ccccc3n2)[C@@H]1CCC[NH3+] ZINC000662314444 431044792 /nfs/dbraw/zinc/04/47/92/431044792.db2.gz DHBFFVOSGBDUTB-CZUORRHYSA-N 2 0 313.449 2.551 20 0 DFADRP Cc1ccccc1CCC[N@@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000662319338 431045993 /nfs/dbraw/zinc/04/59/93/431045993.db2.gz HQTBLKFHRQKCDM-LJQANCHMSA-N 2 0 304.478 2.970 20 0 DFADRP COc1ccc([C@@H](C)C[N@@H+]2CCO[C@@H](CCC[NH+](C)C)C2)cc1 ZINC000662325067 431047373 /nfs/dbraw/zinc/04/73/73/431047373.db2.gz BLWLLUGAZBGMOF-LPHOPBHVSA-N 2 0 320.477 2.841 20 0 DFADRP Cc1cccc(CCC[N@@H+]2CCO[C@@H](CCC[NH+](C)C)C2)c1 ZINC000662326244 431049451 /nfs/dbraw/zinc/04/94/51/431049451.db2.gz XLBGWEPUNNRCMZ-IBGZPJMESA-N 2 0 304.478 2.970 20 0 DFADRP Cc1cccc(CCC[N@@H+]2CCO[C@H](CCC[NH+](C)C)C2)c1 ZINC000662326245 431049768 /nfs/dbraw/zinc/04/97/68/431049768.db2.gz XLBGWEPUNNRCMZ-LJQANCHMSA-N 2 0 304.478 2.970 20 0 DFADRP CC[NH+](CC)CCOc1ccccc1NC(=O)CCC(C)(C)[NH3+] ZINC000649285066 431058481 /nfs/dbraw/zinc/05/84/81/431058481.db2.gz ZPSIHFMTWTZYQI-UHFFFAOYSA-N 2 0 321.465 2.863 20 0 DFADRP CC(C)[N@@H+]1CCC[C@H](CNC(=O)[C@@H]([NH3+])c2cccc(Cl)c2)C1 ZINC000649310370 431063510 /nfs/dbraw/zinc/06/35/10/431063510.db2.gz AFFYTMDSSKYXFP-CJNGLKHVSA-N 2 0 323.868 2.576 20 0 DFADRP [NH3+][C@H]1CCCCCC[C@@H]1C(=O)Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000649319255 431064644 /nfs/dbraw/zinc/06/46/44/431064644.db2.gz SMFKOOUVPYQFEJ-HOTGVXAUSA-N 2 0 313.405 2.504 20 0 DFADRP [NH3+]C1CCC(C(=O)N2CCC[C@@H](C[NH+]3CCCCCC3)C2)CC1 ZINC000649320039 431065286 /nfs/dbraw/zinc/06/52/86/431065286.db2.gz KIRYTWVYJFXWKF-AOCRQIFASA-N 2 0 321.509 2.619 20 0 DFADRP C[NH+]1CCC(Nc2ccccc2NC(=O)CCC(C)(C)[NH3+])CC1 ZINC000649315241 431065557 /nfs/dbraw/zinc/06/55/57/431065557.db2.gz XEYKVWFAGLAMNT-UHFFFAOYSA-N 2 0 318.465 2.649 20 0 DFADRP CC[C@H]([NH2+]C)C(=O)Nc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000662389207 431068867 /nfs/dbraw/zinc/06/88/67/431068867.db2.gz WDIUIOUEHUKNDG-PBHICJAKSA-N 2 0 303.450 2.855 20 0 DFADRP C[C@H]([NH3+])[C@H]1CCC[N@H+](CCc2ccc3c(c2)OC(F)(F)O3)C1 ZINC000662244446 431013171 /nfs/dbraw/zinc/01/31/71/431013171.db2.gz GXDDKYJCPVOBKY-AAEUAGOBSA-N 2 0 312.360 2.610 20 0 DFADRP C[N@H+](CCOc1ccccc1F)Cc1cccc2c1CC[NH2+]C2 ZINC000662249513 431013766 /nfs/dbraw/zinc/01/37/66/431013766.db2.gz VZWQHKUTCFSZDW-UHFFFAOYSA-N 2 0 314.404 2.982 20 0 DFADRP O=C(C[C@@H]1[NH2+]Cc2ccccc21)NCC[NH2+]C1CCCCCC1 ZINC000659292280 431013948 /nfs/dbraw/zinc/01/39/48/431013948.db2.gz AETSGEGUFLRYLI-SFHVURJKSA-N 2 0 315.461 2.650 20 0 DFADRP CCN(C(=O)c1ccc(C[NH+](CC)CC)o1)[C@H]1CCC[NH2+]CC1 ZINC000655455226 431014694 /nfs/dbraw/zinc/01/46/94/431014694.db2.gz HOOFTTHPEMWHSA-HNNXBMFYSA-N 2 0 321.465 2.726 20 0 DFADRP O=C(C[C@@H]1[NH2+]Cc2ccccc21)Nc1ccc2c(c1)C[NH2+]CC2 ZINC000659298303 431015716 /nfs/dbraw/zinc/01/57/16/431015716.db2.gz ZBKHARQYHMPGSW-SFHVURJKSA-N 2 0 307.397 2.505 20 0 DFADRP c1ccc(C[C@@H]2CCCC[N@H+]2C[C@@H]2CCC3(C[NH2+]C3)O2)cc1 ZINC000662256157 431016482 /nfs/dbraw/zinc/01/64/82/431016482.db2.gz HJUHFLUKPSLOMF-ROUUACIJSA-N 2 0 300.446 2.605 20 0 DFADRP C[N@H+](CCCOc1ccc(Cl)cc1)C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662254000 431016837 /nfs/dbraw/zinc/01/68/37/431016837.db2.gz YCLYAIVDCHMBEN-INIZCTEOSA-N 2 0 324.852 2.562 20 0 DFADRP Fc1ccc([C@H]2CCCC[N@@H+]2C[C@@H]2CCC3(C[NH2+]C3)O2)cc1 ZINC000662257077 431018250 /nfs/dbraw/zinc/01/82/50/431018250.db2.gz MRBNDYYPSLQNNR-DLBZAZTESA-N 2 0 304.409 2.874 20 0 DFADRP C[C@@H]1C[C@@H](c2cccc(F)c2)[N@H+](C[C@H]2CCC3(C[NH2+]C3)O2)C1 ZINC000662256599 431018424 /nfs/dbraw/zinc/01/84/24/431018424.db2.gz WSQBBNGYUKYCSR-XYPHTWIQSA-N 2 0 304.409 2.730 20 0 DFADRP CCC[NH+]1CCC(N(C)Cc2cccc3c2CC[NH2+]C3)CC1 ZINC000662259804 431018453 /nfs/dbraw/zinc/01/84/53/431018453.db2.gz BOUACDZHUGGJID-UHFFFAOYSA-N 2 0 301.478 2.639 20 0 DFADRP C[C@]1(CCc2ccccc2)CC[N@H+](C[C@H]2CCC3(C[NH2+]C3)O2)C1 ZINC000662257688 431018727 /nfs/dbraw/zinc/01/87/27/431018727.db2.gz RMGFDLPMXOZMES-MOPGFXCFSA-N 2 0 314.473 2.852 20 0 DFADRP CC(C)(C)[N@@H+]1CC[C@H](CNC(=O)[C@@H]2CCCCCC[C@@H]2[NH3+])C1 ZINC000662592429 431126429 /nfs/dbraw/zinc/12/64/29/431126429.db2.gz JNIGIMDLLGNMGJ-OAGGEKHMSA-N 2 0 309.498 2.521 20 0 DFADRP C[C@@H]([NH2+][C@@]1(CO)CCCN(Cc2ccccc2)C1)[C@H]1C[C@H]1C ZINC000666120269 431121804 /nfs/dbraw/zinc/12/18/04/431121804.db2.gz JOHIVJUNZLJFRO-FPAYPSAMSA-N 2 0 302.462 2.648 20 0 DFADRP [NH3+][C@@H]1CCCCCC[C@@H]1C(=O)N1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000662589389 431125080 /nfs/dbraw/zinc/12/50/80/431125080.db2.gz YSHAGQWCIRUQHX-FGTMMUONSA-N 2 0 321.509 2.522 20 0 DFADRP CC[NH+](CC)C[C@@H]1CCN(C(=O)[C@H]([NH3+])c2cccc(Cl)c2)C1 ZINC000649342735 431071794 /nfs/dbraw/zinc/07/17/94/431071794.db2.gz LWCFMGCOCHMERQ-XJKSGUPXSA-N 2 0 323.868 2.530 20 0 DFADRP CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)[C@@H]([NH3+])c1cccc(Cl)c1 ZINC000649341789 431072202 /nfs/dbraw/zinc/07/22/02/431072202.db2.gz XCWORPCQYWKOMW-HOTGVXAUSA-N 2 0 323.868 2.673 20 0 DFADRP CC[C@H]([NH2+]C)C(=O)NC[C@@H](c1ccccc1)[NH+]1CCC(C)CC1 ZINC000662401658 431074411 /nfs/dbraw/zinc/07/44/11/431074411.db2.gz ZBVWTPGQXXRHNY-ROUUACIJSA-N 2 0 317.477 2.574 20 0 DFADRP CC[NH+](CC)Cc1ccc(C(=O)N2C[C@H](C[NH3+])[C@@H](C)C[C@H]2C)o1 ZINC000649369308 431078755 /nfs/dbraw/zinc/07/87/55/431078755.db2.gz JNFJWEPLRQPQRI-ZNMIVQPWSA-N 2 0 321.465 2.567 20 0 DFADRP CC(C)C[N@H+](C)CCCNC(=O)C[C@@H](c1ccccc1)[NH+](C)C ZINC000652523576 431080578 /nfs/dbraw/zinc/08/05/78/431080578.db2.gz UUNKCFZDTXXNQI-SFHVURJKSA-N 2 0 319.493 2.774 20 0 DFADRP CC(C)C[C@@H]([NH3+])C(=O)N1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000649377962 431082245 /nfs/dbraw/zinc/08/22/45/431082245.db2.gz GYZOALGXEDMZMG-SJLPKXTDSA-N 2 0 323.525 2.863 20 0 DFADRP CC[NH+]1CCN(CCC[NH2+][C@H]2CCc3cc(C)cc(C)c32)CC1 ZINC000655689054 431083802 /nfs/dbraw/zinc/08/38/02/431083802.db2.gz UELAQYOAZCFMMC-IBGZPJMESA-N 2 0 315.505 2.908 20 0 DFADRP CC(C)C[C@H](C[NH3+])CC(=O)NCc1ccc(F)c(C[NH+](C)C)c1 ZINC000662462197 431088685 /nfs/dbraw/zinc/08/86/85/431088685.db2.gz SDBKGBSFPFLQSM-HNNXBMFYSA-N 2 0 323.456 2.515 20 0 DFADRP CC(C)(C)c1csc(CNC2CC[NH+]([C@H]3CCOC3)CC2)n1 ZINC000655712689 431092773 /nfs/dbraw/zinc/09/27/73/431092773.db2.gz PFAWMIGOONXXMY-AWEZNQCLSA-N 2 0 323.506 2.784 20 0 DFADRP C(C[NH+]1CCC(C[NH+]2CCCCCC2)CC1)C1CC[NH2+]CC1 ZINC000649411621 431093008 /nfs/dbraw/zinc/09/30/08/431093008.db2.gz LVSQFUJICFKKLJ-UHFFFAOYSA-N 3 0 307.526 2.964 20 0 DFADRP CN(Cc1ccccc1)[C@@H]1CC[N@H+](CCCC2CC[NH2+]CC2)C1 ZINC000649413864 431093908 /nfs/dbraw/zinc/09/39/08/431093908.db2.gz OIAFDWWOUYQCGP-HXUWFJFHSA-N 2 0 315.505 2.973 20 0 DFADRP CCOc1ccc(C[NH2+]C2CCN([C@@H]3CCOC3)CC2)cc1F ZINC000655711100 431093994 /nfs/dbraw/zinc/09/39/94/431093994.db2.gz DVBYOFPQOVVXHI-MRXNPFEDSA-N 2 0 322.424 2.567 20 0 DFADRP CC[C@@H](NC1CC[NH+]([C@H]2CCOC2)CC1)c1nc(C)cs1 ZINC000655712441 431094977 /nfs/dbraw/zinc/09/49/77/431094977.db2.gz NOKMRWIBCCATRB-LSDHHAIUSA-N 2 0 309.479 2.746 20 0 DFADRP Cc1ccc2nc(C[N@@H+]3CCC[C@@H]([C@H]4CCC[NH2+]C4)C3)cn2c1 ZINC000649417796 431096924 /nfs/dbraw/zinc/09/69/24/431096924.db2.gz HFRDUCQBQDCMLA-DLBZAZTESA-N 2 0 312.461 2.854 20 0 DFADRP CC[NH+](CC)[C@@H](CNC(=O)c1cccc2c1C[NH2+]C2)CC(C)C ZINC000662493723 431097438 /nfs/dbraw/zinc/09/74/38/431097438.db2.gz QASVHJBLSFVAGM-MRXNPFEDSA-N 2 0 317.477 2.776 20 0 DFADRP CC[NH2+]Cc1ccccc1NC(=O)NCCC[N@H+](C)CC(C)C ZINC000652610911 431100971 /nfs/dbraw/zinc/10/09/71/431100971.db2.gz PXZROCBOXLZXRF-UHFFFAOYSA-N 2 0 320.481 2.896 20 0 DFADRP CC[NH+](CC)CCN(CC(C)C)C(=O)c1cccc2c1C[NH2+]C2 ZINC000662504160 431101493 /nfs/dbraw/zinc/10/14/93/431101493.db2.gz AQJMWWIETRHXAP-UHFFFAOYSA-N 2 0 317.477 2.730 20 0 DFADRP c1ccc(C[NH+]2C[C@H]3C[N@H+](CCC[C@H]4CCOC4)C[C@H]3C2)cc1 ZINC000645895805 431104697 /nfs/dbraw/zinc/10/46/97/431104697.db2.gz NGSUYTMTXQVXOO-SLFFLAALSA-N 2 0 314.473 2.867 20 0 DFADRP CC[NH+](CC)CCC[C@@H](C)NC(=O)c1cccc2c1C[NH2+]C2 ZINC000662523249 431105426 /nfs/dbraw/zinc/10/54/26/431105426.db2.gz KUWXUJWYZWWAHL-CQSZACIVSA-N 2 0 303.450 2.530 20 0 DFADRP C[C@H](C(=O)NC[C@@H]1CC[N@@H+](C(C)(C)C)C1)[C@H]([NH3+])c1ccccc1 ZINC000662594084 431128590 /nfs/dbraw/zinc/12/85/90/431128590.db2.gz RJIMPXPNYQARDD-ZOBUZTSGSA-N 2 0 317.477 2.559 20 0 DFADRP C[C@@H]1CC[C@H]([NH2+]Cc2ccncc2OCCC[NH+](C)C)CS1 ZINC000655767909 431129155 /nfs/dbraw/zinc/12/91/55/431129155.db2.gz MXIGLMSWJSECQM-ZBFHGGJFSA-N 2 0 323.506 2.786 20 0 DFADRP CC[N@H+](C)[C@H](C(=O)N[C@H]1CCC[C@@H]([NH+](C)C)C1)c1ccccc1 ZINC000267281397 279046331 /nfs/dbraw/zinc/04/63/31/279046331.db2.gz KVJLVMDDNZZNEW-KSZLIROESA-N 2 0 317.477 2.668 20 0 DFADRP CC(C)(C)[N@@H+]1CC[C@@H](CNC(=O)[C@@H]([NH3+])CC2CCCCC2)C1 ZINC000662594452 431127558 /nfs/dbraw/zinc/12/75/58/431127558.db2.gz SSXIUSDRKVLYDU-HOTGVXAUSA-N 2 0 309.498 2.521 20 0 DFADRP [NH3+][C@@H](CC1CCCCC1)C(=O)N1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662596924 431128195 /nfs/dbraw/zinc/12/81/95/431128195.db2.gz UEOKULBLAHQPEB-MSOLQXFVSA-N 2 0 321.509 2.522 20 0 DFADRP CC[NH+](CC)CCC[C@H](C)NC(=O)[C@@H]1C[C@H]2CCCC[C@H]2[NH2+]1 ZINC000261634497 279101154 /nfs/dbraw/zinc/10/11/54/279101154.db2.gz IBKBCCMBIWALIW-HZMVEIRTSA-N 2 0 309.498 2.534 20 0 DFADRP CC[NH+](CC)Cc1ccc(C(=O)N2CC[N@H+](CC)C[C@H]2C)cc1 ZINC000288339288 279136508 /nfs/dbraw/zinc/13/65/08/279136508.db2.gz IQQDLPKIROHSRI-MRXNPFEDSA-N 2 0 317.477 2.695 20 0 DFADRP CC[NH+](CC)Cc1ccccc1CNC(=O)[C@]1(C)CCC[NH2+]C1 ZINC000236909537 279138596 /nfs/dbraw/zinc/13/85/96/279138596.db2.gz PUOKZPLXYQWTCL-LJQANCHMSA-N 2 0 317.477 2.534 20 0 DFADRP C[C@@H]1C[C@H](C)C[N@@H+](CCN2CCC(C[NH+]3CCCC3)CC2)C1 ZINC000659843371 431137856 /nfs/dbraw/zinc/13/78/56/431137856.db2.gz SJNBFAJKHBLPBB-HDICACEKSA-N 2 0 307.526 2.772 20 0 DFADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N1CCC[C@H]([NH+]2[C@H](C)CC[C@@H]2C)C1 ZINC000354812199 279264475 /nfs/dbraw/zinc/26/44/75/279264475.db2.gz NNIMLGNGQPYZGJ-XWTMOSNGSA-N 2 0 321.509 2.725 20 0 DFADRP C[C@H]1C[C@H](C)C[NH+](CCN2CCC([NH+]3CCCCC3)CC2)C1 ZINC000659845964 431142227 /nfs/dbraw/zinc/14/22/27/431142227.db2.gz LTJNGJNCDPYGLN-ROUUACIJSA-N 2 0 307.526 2.915 20 0 DFADRP CCCC[N@H+](C)CC1CCN([C@@H](C)c2nnc(CC)[nH]2)CC1 ZINC000659848010 431142934 /nfs/dbraw/zinc/14/29/34/431142934.db2.gz VGGLPSBDYBVEFV-AWEZNQCLSA-N 2 0 307.486 2.872 20 0 DFADRP CCCC[N@H+](C)CC1CCN(C(=O)C2([NH3+])CC3(CCC3)C2)CC1 ZINC000662683346 431161283 /nfs/dbraw/zinc/16/12/83/431161283.db2.gz MXDZTTBWLORQOS-UHFFFAOYSA-N 2 0 321.509 2.619 20 0 DFADRP C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)[C@H]1CCCCCC[C@H]1[NH3+] ZINC000662692863 431166273 /nfs/dbraw/zinc/16/62/73/431166273.db2.gz GZJLAMVBXUJMFG-YESZJQIVSA-N 2 0 309.498 2.521 20 0 DFADRP C[N@@H+]1CCCN(CCC[NH2+]Cc2ccc(C3CC3)cc2)CC1 ZINC000666259029 431167987 /nfs/dbraw/zinc/16/79/87/431167987.db2.gz JQXWFILMDPFHRT-UHFFFAOYSA-N 2 0 301.478 2.681 20 0 DFADRP CCC[N@@H+]1CC[C@@H](NC(=O)CC[C@H]([NH3+])CC2CCCCC2)C1 ZINC000662704283 431168907 /nfs/dbraw/zinc/16/89/07/431168907.db2.gz YHGYSKCIJPHBBF-DLBZAZTESA-N 2 0 309.498 2.665 20 0 DFADRP CCCOc1ccc(C[NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)cc1OC ZINC000655826111 431170288 /nfs/dbraw/zinc/17/02/88/431170288.db2.gz QHFPCAWOTNEEFB-IYBDPMFKSA-N 2 0 306.450 2.914 20 0 DFADRP CCOc1ccc(C[NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)cc1OCC ZINC000655827008 431170951 /nfs/dbraw/zinc/17/09/51/431170951.db2.gz MOCLBFPWEIFSNO-IYBDPMFKSA-N 2 0 306.450 2.914 20 0 DFADRP C[NH+](C)[C@H]1C[C@@H](C[NH2+]Cc2c[nH]nc2-c2ccc(F)cc2)C1 ZINC000655826023 431170984 /nfs/dbraw/zinc/17/09/84/431170984.db2.gz CRHHWSIRARRMPM-DRQUAOQDSA-N 2 0 302.397 2.646 20 0 DFADRP C[NH+](C)[C@H]1C[C@@H](C[NH2+]Cc2cnn(Cc3ccc(F)cc3)c2)C1 ZINC000655825984 431171009 /nfs/dbraw/zinc/17/10/09/431171009.db2.gz ANNAMJXFSHEQIA-RHNCMZPLSA-N 2 0 316.424 2.500 20 0 DFADRP Cc1ccc(C[NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)c(-c2cnn(C)c2)c1 ZINC000655824318 431171450 /nfs/dbraw/zinc/17/14/50/431171450.db2.gz JDPQLSFOLCUERM-RHNCMZPLSA-N 2 0 312.461 2.825 20 0 DFADRP COc1ccc2nc(C[NH2+]C[C@H]3C[C@@H]([NH+](C)C)C3)sc2c1 ZINC000655826957 431171979 /nfs/dbraw/zinc/17/19/79/431171979.db2.gz JQIBEUPVSYKFPQ-TXEJJXNPSA-N 2 0 305.447 2.735 20 0 DFADRP CN1CCN(C(=O)C[C@@H]2[NH2+]Cc3ccccc32)c2ccccc2C1 ZINC000662720262 431173888 /nfs/dbraw/zinc/17/38/88/431173888.db2.gz XPYPVNXREDOZND-SFHVURJKSA-N 2 0 321.424 2.700 20 0 DFADRP CSc1cccc(C[N@H+](C)CC2CC[NH+](C[C@@H](C)O)CC2)c1 ZINC000659891004 431175299 /nfs/dbraw/zinc/17/52/99/431175299.db2.gz JUYNHRGOWGGYCO-OAHLLOKOSA-N 2 0 322.518 2.933 20 0 DFADRP CC[NH+](CC)[C@H](C(=O)NCC[C@@H]([NH3+])C(C)C)c1ccccc1 ZINC000662727982 431175804 /nfs/dbraw/zinc/17/58/04/431175804.db2.gz CWCFFIDFTPMXRH-SJORKVTESA-N 2 0 305.466 2.559 20 0 DFADRP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]C[C@H]1CCCN1C ZINC000649585512 431176629 /nfs/dbraw/zinc/17/66/29/431176629.db2.gz YMLGIIJMSALUNF-BWPNAZKDSA-N 2 0 315.505 2.827 20 0 DFADRP CC(C)[N@H+](C)C[C@H](O)C[NH+]1CCC[C@@H](Cc2ccccc2)C1 ZINC000659902774 431178523 /nfs/dbraw/zinc/17/85/23/431178523.db2.gz BUUHOWTXCMHLPN-OALUTQOASA-N 2 0 304.478 2.642 20 0 DFADRP CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)C2([NH3+])CC3(CCC3)C2)C1 ZINC000662730130 431178923 /nfs/dbraw/zinc/17/89/23/431178923.db2.gz SCBPPFVHOSRHQV-OAHLLOKOSA-N 2 0 321.509 2.665 20 0 DFADRP CC[N@H+](C[C@@H](O)C[NH+](C)C(C)C)[C@@H](C)Cc1ccc(OC)cc1 ZINC000659912120 431185626 /nfs/dbraw/zinc/18/56/26/431185626.db2.gz GJNFRHMTUMMLCY-WMZOPIPTSA-N 2 0 322.493 2.649 20 0 DFADRP Cc1ccc(OC2CCN(C[C@H](O)C[N@@H+](C)C(C)C)CC2)cc1 ZINC000659935386 431196268 /nfs/dbraw/zinc/19/62/68/431196268.db2.gz PPEXTWYOWMKESL-QGZVFWFLSA-N 2 0 320.477 2.539 20 0 DFADRP C[N@@H+]1CCC[C@@H]1CN1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000649610032 431196576 /nfs/dbraw/zinc/19/65/76/431196576.db2.gz GECLODSEQYPMSA-UXHICEINSA-N 2 0 313.489 2.679 20 0 DFADRP C[C@@H]1C[C@@H](C)C[NH+](CCN2CCC[C@H]([NH+]3CCCC3)CC2)C1 ZINC000659943806 431199653 /nfs/dbraw/zinc/19/96/53/431199653.db2.gz FILAEADIWJVWMU-QRVBRYPASA-N 2 0 307.526 2.915 20 0 DFADRP CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C[C@@H]1CCC[NH+]1C ZINC000649545432 431154757 /nfs/dbraw/zinc/15/47/57/431154757.db2.gz FAEJTDZOVCYNBO-OALUTQOASA-N 2 0 301.478 2.535 20 0 DFADRP [NH3+][C@H](CC1CCCCC1)C(=O)N[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000662668150 431155706 /nfs/dbraw/zinc/15/57/06/431155706.db2.gz IKJINZRZKPCNFB-FUHWJXTLSA-N 2 0 321.509 2.807 20 0 DFADRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H](C)[C@H]2CC2(F)F)[C@@H](C)C1 ZINC000666228927 431156920 /nfs/dbraw/zinc/15/69/20/431156920.db2.gz ZJUKJLKWKADNIC-YJNKXOJESA-N 2 0 304.425 2.757 20 0 DFADRP COC[C@H](C)[NH2+]Cc1cc(Cl)cc(C[NH2+][C@@H](C)COC)c1 ZINC000649555299 431156998 /nfs/dbraw/zinc/15/69/98/431156998.db2.gz KHDWXBAXQKPTPY-STQMWFEESA-N 2 0 314.857 2.589 20 0 DFADRP COc1cc([C@H](C)[NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)cc(OC)c1OC ZINC000655807414 431157658 /nfs/dbraw/zinc/15/76/58/431157658.db2.gz LKCLEMJOBKEVJO-KCQAQPDRSA-N 2 0 322.449 2.703 20 0 DFADRP C[C@@H]([NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1)c1ncc(Br)s1 ZINC000655805413 431158429 /nfs/dbraw/zinc/15/84/29/431158429.db2.gz NKXXYBSWNATYJC-BBBLOLIVSA-N 2 0 318.284 2.896 20 0 DFADRP C[N@H+](C[C@@H]1CCCN(C(=O)C(C)(C)C)C1)C[C@@H]1CCC[NH+](C)C1 ZINC000659947262 431205998 /nfs/dbraw/zinc/20/59/98/431205998.db2.gz NHGMXLOWPNGXHS-SJORKVTESA-N 2 0 323.525 2.545 20 0 DFADRP C[C@@H]1C[C@H](C)C[N@@H+](CCN2CC[C@H](C[NH+]3CCCCC3)C2)C1 ZINC000659957488 431209899 /nfs/dbraw/zinc/20/98/99/431209899.db2.gz TZWUHMNHXZMRPI-CEXWTWQISA-N 2 0 307.526 2.772 20 0 DFADRP CN(CC[NH+]1CCCCC1)C(=O)C[C@H](c1ccccc1)[NH+](C)C ZINC000652992007 431218950 /nfs/dbraw/zinc/21/89/50/431218950.db2.gz ZWZNJFSRLAPLLE-GOSISDBHSA-N 2 0 317.477 2.624 20 0 DFADRP Cc1ccc(C[NH+]2CCC([C@@H]3OCC[C@H]3[NH3+])CC2)c(Cl)c1 ZINC000655941004 431226787 /nfs/dbraw/zinc/22/67/87/431226787.db2.gz KGEVXUVZNMNYNH-SJORKVTESA-N 2 0 308.853 2.977 20 0 DFADRP CCOC(=O)C1(C)CCC([NH2+]C[C@H](C)C[NH+]2CCCC2)CC1 ZINC000354126779 279525128 /nfs/dbraw/zinc/52/51/28/279525128.db2.gz YNXFKRXXJTXAJH-HJOIGYKYSA-N 2 0 310.482 2.820 20 0 DFADRP Cc1nccn1CCCN(C)Cc1nnc(C(F)(F)F)s1 ZINC000660116712 431277105 /nfs/dbraw/zinc/27/71/05/431277105.db2.gz KGVUOECCRBATRN-UHFFFAOYSA-N 2 0 319.356 2.584 20 0 DFADRP [NH3+][C@H](CC1CCCCC1)C(=O)N1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000646375396 431286457 /nfs/dbraw/zinc/28/64/57/431286457.db2.gz FGTAEYHHNOUCRP-FGTMMUONSA-N 2 0 321.509 2.522 20 0 DFADRP CC[C@@H](CC(F)F)C[N@H+](C)CCN(C)C1CC[NH+](C)CC1 ZINC000660139213 431287816 /nfs/dbraw/zinc/28/78/16/431287816.db2.gz OIKOZYXKNOIQBF-AWEZNQCLSA-N 2 0 305.457 2.626 20 0 DFADRP C[N@H+](CCCN1CC[NH+](C)CC1)CC[C@H]1CCc2ccccc21 ZINC000660145444 431292222 /nfs/dbraw/zinc/29/22/22/431292222.db2.gz RVRYWERFUSQQJA-LJQANCHMSA-N 2 0 315.505 2.676 20 0 DFADRP CC(C)[C@H]1[NH2+]CC[C@@H]1C(=O)Nc1ccc(C[NH+]2CCCC2)cc1 ZINC000646395074 431292549 /nfs/dbraw/zinc/29/25/49/431292549.db2.gz CFNGFHPNIQKYIO-ZWKOTPCHSA-N 2 0 315.461 2.855 20 0 DFADRP CC(C)[C@@H]1[NH2+]CC[C@@H]1C(=O)Nc1ccc(C[NH+]2CCCC2)cc1 ZINC000646395073 431292618 /nfs/dbraw/zinc/29/26/18/431292618.db2.gz CFNGFHPNIQKYIO-ROUUACIJSA-N 2 0 315.461 2.855 20 0 DFADRP CC(C)C[N@H+](C)CCCNC(=O)CC[C@H]([NH3+])c1ccccc1 ZINC000653176226 431293714 /nfs/dbraw/zinc/29/37/14/431293714.db2.gz NKYNMLMDLNUYBL-KRWDZBQOSA-N 2 0 305.466 2.561 20 0 DFADRP C[C@@H]1C[C@H](C[NH+]2CCC(C[NH+]3CCCCCC3)CC2)CC[NH2+]1 ZINC000666620260 431300889 /nfs/dbraw/zinc/30/08/89/431300889.db2.gz WTKKRYAOLBGYEZ-IEBWSBKVSA-N 3 0 307.526 2.963 20 0 DFADRP C[C@@]1(C[NH+]2CCC(c3ccc4cccnc4n3)CC2)CC[NH2+]C1 ZINC000656193374 431301855 /nfs/dbraw/zinc/30/18/55/431301855.db2.gz IIZLVUCEQKKGHL-LJQANCHMSA-N 2 0 310.445 2.809 20 0 DFADRP [NH3+][C@@H]1CCC[C@H]([NH2+]C[C@H]2CCN(c3ccc(F)c(F)c3)C2)C1 ZINC000656196030 431302253 /nfs/dbraw/zinc/30/22/53/431302253.db2.gz UHTKTSFOUAEFSB-MCIONIFRSA-N 2 0 309.404 2.651 20 0 DFADRP CC[N@H+](CCCNC(=O)[C@H]1C[C@@H](C)CC[NH2+]1)C1CCCCC1 ZINC000653200970 431305829 /nfs/dbraw/zinc/30/58/29/431305829.db2.gz VVSRCQKZZUEXHA-DOTOQJQBSA-N 2 0 309.498 2.535 20 0 DFADRP CC[N@H+](CCCNC(=O)[C@@H]1CCC[C@H]([NH3+])C1)C1CCCCC1 ZINC000653200886 431305850 /nfs/dbraw/zinc/30/58/50/431305850.db2.gz TTYCIMUJRTWMKL-CVEARBPZSA-N 2 0 309.498 2.665 20 0 DFADRP CCC(C)(C)[NH+]1CCN([C@H](C)c2ccc(C[NH3+])nc2C)CC1 ZINC000656200770 431306593 /nfs/dbraw/zinc/30/65/93/431306593.db2.gz QEDCBYQOLDONPT-OAHLLOKOSA-N 2 0 304.482 2.716 20 0 DFADRP C[C@H](Cn1ccnc1)Nc1nccc(N2CCCC(C)(C)C2)n1 ZINC000656108113 431263455 /nfs/dbraw/zinc/26/34/55/431263455.db2.gz OXQAUSAJFHYRFB-CQSZACIVSA-N 2 0 314.437 2.800 20 0 DFADRP CC[NH+](CC)Cc1ccc(CNC(=O)[C@H]2CCC[NH2+]CC2)cc1 ZINC000653106606 431271128 /nfs/dbraw/zinc/27/11/28/431271128.db2.gz FLPJSJHJCYFCSL-SFHVURJKSA-N 2 0 317.477 2.534 20 0 DFADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]C[C@@H](OC)C2CCC2)[C@H](C)C1 ZINC000660307292 431372102 /nfs/dbraw/zinc/37/21/02/431372102.db2.gz WASRMCIIHJCQDQ-BPQIPLTHSA-N 2 0 312.498 2.528 20 0 DFADRP CC[NH+](CC)[C@@H](C(=O)NCCC1CC[NH2+]CC1)c1ccccc1 ZINC000653271813 431344332 /nfs/dbraw/zinc/34/43/32/431344332.db2.gz MDBUTKBVZVAVMV-GOSISDBHSA-N 2 0 317.477 2.575 20 0 DFADRP C[C@H]([NH3+])c1ccc(C[NH2+]Cc2ccc(C(=O)NC3CC3)cc2)cc1 ZINC000666755375 431346808 /nfs/dbraw/zinc/34/68/08/431346808.db2.gz UJPQDLUHYJTMMM-AWEZNQCLSA-N 2 0 323.440 2.888 20 0 DFADRP c1cnc(Oc2ccc(C[NH2+]C3C[C@H]4CC[C@@H](C3)[NH2+]4)cc2)cn1 ZINC000666762143 431349394 /nfs/dbraw/zinc/34/93/94/431349394.db2.gz YZGMNAJJLKWLBT-XYPWUTKMSA-N 2 0 310.401 2.642 20 0 DFADRP c1cc(N2CCC([NH2+][C@@H]3CCCN4CCCC[C@H]34)CC2)cc[nH+]1 ZINC000656278450 431353183 /nfs/dbraw/zinc/35/31/83/431353183.db2.gz REKGKERIFOQDIT-RTBURBONSA-N 2 0 314.477 2.657 20 0 DFADRP CC[C@H]([NH2+]C1CCN(c2cc[nH+]cc2)CC1)[C@@H]1CCCCO1 ZINC000656276684 431353549 /nfs/dbraw/zinc/35/35/49/431353549.db2.gz IBRSQCAUQVMWDX-ROUUACIJSA-N 2 0 303.450 2.988 20 0 DFADRP CC(C)c1cccc(C[NH2+][C@@H](C)CCN2CC[NH+](C)CC2)c1 ZINC000663322346 431365541 /nfs/dbraw/zinc/36/55/41/431365541.db2.gz TYOIIDJMLNBZLV-KRWDZBQOSA-N 2 0 303.494 2.926 20 0 DFADRP C[NH+](C)[C@H]1CCC[N@H+](C[C@@H]2CCCN(C(=O)C(C)(C)C)C2)CC1 ZINC000660416395 431418092 /nfs/dbraw/zinc/41/80/92/431418092.db2.gz QVMNNFDVXQJOLZ-IRXDYDNUSA-N 2 0 323.525 2.687 20 0 DFADRP Clc1cccc(-c2n[nH]cc2C[NH2+][C@H]2CC23CC[NH2+]CC3)c1 ZINC000666952470 431422188 /nfs/dbraw/zinc/42/21/88/431422188.db2.gz XYMRTTCHXLMJDX-HNNXBMFYSA-N 2 0 316.836 2.962 20 0 DFADRP C[C@@H]1C[C@H]([NH2+][C@H]2CC23CC[NH2+]CC3)CCN1Cc1ccccc1 ZINC000666953935 431422277 /nfs/dbraw/zinc/42/22/77/431422277.db2.gz LJKQHHVOFVBPNC-QRQLOZEOSA-N 3 0 313.489 2.771 20 0 DFADRP Cn1cc(C[NH2+][C@@H]2CC23CC[NH2+]CC3)c(C2CCCCC2)n1 ZINC000666954021 431422451 /nfs/dbraw/zinc/42/24/51/431422451.db2.gz OCSQWMNGLZHONU-MRXNPFEDSA-N 2 0 302.466 2.700 20 0 DFADRP Cc1ccc(C[NH2+][C@@H]2CC23CC[NH2+]CC3)c(-c2ccnn2C)c1 ZINC000666955523 431422622 /nfs/dbraw/zinc/42/26/22/431422622.db2.gz VOENPSFNQBIERO-GOSISDBHSA-N 2 0 310.445 2.627 20 0 DFADRP Cc1cc(C[NH2+][C@H]2CC23CC[NH2+]CC3)ccc1Br ZINC000666952224 431422932 /nfs/dbraw/zinc/42/29/32/431422932.db2.gz LFCXCRMOJXHRSS-AWEZNQCLSA-N 2 0 309.251 2.989 20 0 DFADRP Cc1ccc(C[NH2+][C@@H]2CC23CC[NH2+]CC3)c(-c2cnn(C)c2)c1 ZINC000666955418 431422944 /nfs/dbraw/zinc/42/29/44/431422944.db2.gz IKKQCDXSIVWFRQ-GOSISDBHSA-N 2 0 310.445 2.627 20 0 DFADRP C[C@@H]1CCC[C@@H]([NH+]2CCC([NH2+][C@@H]3CC34CC[NH2+]CC4)CC2)C1 ZINC000666954179 431422949 /nfs/dbraw/zinc/42/29/49/431422949.db2.gz RFZHKUOPYBUCSD-KBAYOESNSA-N 2 0 305.510 2.761 20 0 DFADRP c1ccc(N2CC[C@@H]([NH2+]C[C@@H]3CCC[N@H+](CC4CC4)C3)C2)cc1 ZINC000663347156 431378010 /nfs/dbraw/zinc/37/80/10/431378010.db2.gz ZWHHUWFBZKZTHO-RBUKOAKNSA-N 2 0 313.489 2.977 20 0 DFADRP C[C@H]([NH2+]CCC(=O)N(C)c1ccccc1)C(C)(C)C[NH+](C)C ZINC000663360032 431384207 /nfs/dbraw/zinc/38/42/07/431384207.db2.gz SIBWTFRFFWMAKK-HNNXBMFYSA-N 2 0 305.466 2.605 20 0 DFADRP Cc1nn(-c2ccc(F)cc2)c(C)c1C[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000666855197 431385906 /nfs/dbraw/zinc/38/59/06/431385906.db2.gz DTUAAZBXGTWHLR-MRXNPFEDSA-N 2 0 316.424 2.860 20 0 DFADRP Fc1cc(C[NH2+][C@H]2CCC[NH2+]CC2)ccc1OCC(F)(F)F ZINC000666856542 431386508 /nfs/dbraw/zinc/38/65/08/431386508.db2.gz OMGDNLXNEAXEGP-LBPRGKRZSA-N 2 0 320.330 2.999 20 0 DFADRP CC[C@H](Cc1ccc(OC)c(OC)c1)[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000666858149 431386785 /nfs/dbraw/zinc/38/67/85/431386785.db2.gz ZZVUCEFEXGNPGF-HZPDHXFCSA-N 2 0 306.450 2.757 20 0 DFADRP Clc1cccc(-c2n[nH]cc2C[NH2+][C@H]2CCC[NH2+]CC2)c1 ZINC000666856495 431387354 /nfs/dbraw/zinc/38/73/54/431387354.db2.gz LVDMTUIMCUJOBK-HNNXBMFYSA-N 2 0 304.825 2.962 20 0 DFADRP Fc1cc(C[NH2+][C@@H]2CCC[NH2+]CC2)ccc1OCC(F)(F)F ZINC000666856541 431387398 /nfs/dbraw/zinc/38/73/98/431387398.db2.gz OMGDNLXNEAXEGP-GFCCVEGCSA-N 2 0 320.330 2.999 20 0 DFADRP CC(C)(C)[C@@H]([NH3+])c1cn([C@H]2CC[N@H+](Cc3ccccc3)C2)nn1 ZINC000656455339 431391689 /nfs/dbraw/zinc/39/16/89/431391689.db2.gz DKFKHKZQFAHVOR-RDJZCZTQSA-N 2 0 313.449 2.771 20 0 DFADRP CN(C(=O)CC[NH2+]CCCCC[NH+]1CCCC1)c1ccccc1 ZINC000663373408 431393123 /nfs/dbraw/zinc/39/31/23/431393123.db2.gz DBLRKVJEMACNFI-UHFFFAOYSA-N 2 0 317.477 2.895 20 0 DFADRP O[C@@H](CCc1ccccc1)C[NH2+]CC1CC[NH+](CC2CC2)CC1 ZINC000663374835 431393741 /nfs/dbraw/zinc/39/37/41/431393741.db2.gz OZYZNVKEHQBGSL-FQEVSTJZSA-N 2 0 316.489 2.692 20 0 DFADRP CC(C)[C@@H](C(=O)NC[C@H](C)C[NH+]1CCCCC1)[NH+]1CCCCC1 ZINC000354571804 279789522 /nfs/dbraw/zinc/78/95/22/279789522.db2.gz GDWUZSWKNJZURP-ROUUACIJSA-N 2 0 323.525 2.735 20 0 DFADRP FC(F)(F)CCN1CCC([NH2+][C@@H]2CC[NH2+]C3(CCC3)C2)CC1 ZINC000666995203 431437650 /nfs/dbraw/zinc/43/76/50/431437650.db2.gz GFHDGBZEUZDXRS-CQSZACIVSA-N 2 0 319.415 2.668 20 0 DFADRP COc1ccc(CC[C@@H](C)[NH2+][C@H]2CC[NH2+]C3(CCC3)C2)cc1O ZINC000666993779 431437706 /nfs/dbraw/zinc/43/77/06/431437706.db2.gz IXXHSTRRXSKJPM-ZBFHGGJFSA-N 2 0 318.461 2.986 20 0 DFADRP c1ccc(C[NH+]2CCC(N[C@H]3CC[NH2+]C4(CCC4)C3)CC2)cc1 ZINC000666995504 431438116 /nfs/dbraw/zinc/43/81/16/431438116.db2.gz PRFLECOREWGOJG-IBGZPJMESA-N 2 0 313.489 2.915 20 0 DFADRP COc1cccc2c1CC[C@H]([NH2+][C@@H]1CC[NH2+]C3(CCC3)C1)C2 ZINC000666993756 431438492 /nfs/dbraw/zinc/43/84/92/431438492.db2.gz HGPQFLGTPAJTCJ-JKSUJKDBSA-N 2 0 300.446 2.817 20 0 DFADRP COc1ccc(C[C@@H](C)[NH2+][C@@H]2CC[NH2+]C3(CCC3)C2)cc1OC ZINC000666995240 431438797 /nfs/dbraw/zinc/43/87/97/431438797.db2.gz HMHWJCLTWGJOLF-GDBMZVCRSA-N 2 0 318.461 2.899 20 0 DFADRP C[C@H]([NH2+]Cc1cnccc1C(F)(F)F)C1CC[NH+](C)CC1 ZINC000663475377 431439491 /nfs/dbraw/zinc/43/94/91/431439491.db2.gz WQRDGKSZUPZVCS-NSHDSACASA-N 2 0 301.356 2.920 20 0 DFADRP Clc1ccccc1C[NH+]1CCC(NCC23CC(C2)C[NH2+]3)CC1 ZINC000663497062 431442182 /nfs/dbraw/zinc/44/21/82/431442182.db2.gz ASGXKAFOSXQUBW-UHFFFAOYSA-N 2 0 319.880 2.646 20 0 DFADRP C[C@H]([NH2+]CC1CC[NH+](Cc2ccccc2)CC1)[C@@H]1CCC[NH2+]C1 ZINC000667006264 431442953 /nfs/dbraw/zinc/44/29/53/431442953.db2.gz XJOFRYAGRCXECP-FXAWDEMLSA-N 3 0 315.505 2.876 20 0 DFADRP CC(C)[C@H]([NH3+])CC[NH2+]Cc1ccc(OC[C@H]2CCCO2)cc1 ZINC000663498101 431445740 /nfs/dbraw/zinc/44/57/40/431445740.db2.gz LGUOWJYPXMQGPN-QZTJIDSGSA-N 2 0 306.450 2.707 20 0 DFADRP Cn1c2ccccc2cc(C[N@@H+]2CCC[C@@H](c3ncc[nH]3)C2)c1=O ZINC000653581570 431445889 /nfs/dbraw/zinc/44/58/89/431445889.db2.gz WPWHGJDVQVGHAT-OAHLLOKOSA-N 2 0 322.412 2.641 20 0 DFADRP COc1c(Br)cccc1C[NH2+]CC[C@@H]([NH3+])C(C)C ZINC000663503865 431448238 /nfs/dbraw/zinc/44/82/38/431448238.db2.gz UMUTXKYJLZSLRY-CYBMUJFWSA-N 2 0 315.255 2.921 20 0 DFADRP C[NH2+]CCCC(=O)N1CCC([NH2+][C@H]2CCCC[C@H]2C2CC2)CC1 ZINC000663506142 431448583 /nfs/dbraw/zinc/44/85/83/431448583.db2.gz QOLWAXWYACHFOE-ROUUACIJSA-N 2 0 321.509 2.535 20 0 DFADRP C[NH2+]CCCC(=O)N1CCC([NH2+][C@@H]2CCC(C)(C)C[C@@H]2C)CC1 ZINC000663505852 431448898 /nfs/dbraw/zinc/44/88/98/431448898.db2.gz NXSHODAQEKDDAR-DOTOQJQBSA-N 2 0 323.525 2.781 20 0 DFADRP C[NH2+]CCCC(=O)N1CCC([NH2+][C@H]2CCC(C)(C)C[C@@H]2C)CC1 ZINC000663505854 431448914 /nfs/dbraw/zinc/44/89/14/431448914.db2.gz NXSHODAQEKDDAR-RDJZCZTQSA-N 2 0 323.525 2.781 20 0 DFADRP CCCC1CCC([NH2+]C2CCN(C(=O)CCC[NH2+]C)CC2)CC1 ZINC000663505367 431449074 /nfs/dbraw/zinc/44/90/74/431449074.db2.gz INEFSJVAGAZCCT-UHFFFAOYSA-N 2 0 323.525 2.926 20 0 DFADRP CC[C@H](Cc1ccc(OC)c(OC)c1)[NH2+]CC[C@@H]([NH3+])C(C)C ZINC000663504283 431449265 /nfs/dbraw/zinc/44/92/65/431449265.db2.gz YGEZKFVHMWJLFL-HZPDHXFCSA-N 2 0 308.466 2.988 20 0 DFADRP c1ccc(C2CC2)c(C[N@@H+]2CC3(CC[NH2+]CC3)[C@@H]3COC[C@@H]32)c1 ZINC000667058340 431461505 /nfs/dbraw/zinc/46/15/05/431461505.db2.gz VLWNZQSMSQWIFV-MOPGFXCFSA-N 2 0 312.457 2.764 20 0 DFADRP CO[C@@H]1[C@H](C)[C@@H]([NH2+]C[C@@H]2CCC[N@H+](CC3CC3)C2)C12CCC2 ZINC000663468552 431434286 /nfs/dbraw/zinc/43/42/86/431434286.db2.gz MBYYMOXIYHDUCV-BZZMCLGOSA-N 2 0 306.494 2.902 20 0 DFADRP COc1ccc2c(c1)C[C@H]([NH2+][C@H]1CC[NH2+]C3(CCC3)C1)CC2 ZINC000666995334 431436891 /nfs/dbraw/zinc/43/68/91/431436891.db2.gz KHVIHVIVRVXKEP-SJORKVTESA-N 2 0 300.446 2.817 20 0 DFADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1N[C@@H]1CC[NH2+]C2(CCC2)C1 ZINC000666995388 431437078 /nfs/dbraw/zinc/43/70/78/431437078.db2.gz MRKKDIDIJBFNRC-BHIYHBOVSA-N 2 0 313.489 2.771 20 0 DFADRP COc1cc2c(cc1F)[nH+]ccc2N1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000650299974 431517094 /nfs/dbraw/zinc/51/70/94/431517094.db2.gz LWTGRGCOZDXEEW-SGTLLEGYSA-N 2 0 315.392 2.948 20 0 DFADRP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCN(c3cc[nH+]c4ccccc43)C2)C1 ZINC000650298803 431517786 /nfs/dbraw/zinc/51/77/86/431517786.db2.gz ZQDRPOVFGIFQIJ-SPYBWZPUSA-N 2 0 311.429 2.958 20 0 DFADRP C[C@H]1CCCN(c2cc(NCCC3CC[NH2+]CC3)ncn2)C1 ZINC000650311963 431520740 /nfs/dbraw/zinc/52/07/40/431520740.db2.gz HGOAURPXUXLEFW-AWEZNQCLSA-N 2 0 303.454 2.515 20 0 DFADRP c1cc(C[NH+]2CCC([C@H]3CCC[NH2+]C3)CC2)c2c(c1)OCCO2 ZINC000656786489 431522304 /nfs/dbraw/zinc/52/23/04/431522304.db2.gz TUKFYSSHEQFTCN-INIZCTEOSA-N 2 0 316.445 2.669 20 0 DFADRP COc1cccc(C[NH+]2CCC([C@H]3CCC[NH2+]C3)CC2)c1OC ZINC000656786668 431523122 /nfs/dbraw/zinc/52/31/22/431523122.db2.gz WCPQYULVTYCHPT-INIZCTEOSA-N 2 0 318.461 2.915 20 0 DFADRP C[C@H]([NH2+]C[C@H]1CCN(c2ccccc2Cl)C1)[C@@H]1CC[NH2+]C1 ZINC000656787594 431523473 /nfs/dbraw/zinc/52/34/73/431523473.db2.gz OJZZRGBSALXRME-RRFJBIMHSA-N 2 0 307.869 2.754 20 0 DFADRP CC[N@H+](C)C[C@H](O)CN1CCCC[C@@H]1Cc1ccccc1F ZINC000653779281 431525579 /nfs/dbraw/zinc/52/55/79/431525579.db2.gz SKPSFGWMDAMHHS-SJORKVTESA-N 2 0 308.441 2.535 20 0 DFADRP c1cc([C@@H]2C[NH2+]CCO2)ccc1N[C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000656793235 431525910 /nfs/dbraw/zinc/52/59/10/431525910.db2.gz RKPLZODTQYPELF-MKXGPGLRSA-N 2 0 315.461 2.680 20 0 DFADRP Cc1ccc(O)c(C[NH2+]C[C@@H]2C[N@@H+](C)C[C@H]2c2ccccc2)n1 ZINC000647248926 431528617 /nfs/dbraw/zinc/52/86/17/431528617.db2.gz PIXLWKJNRQYEJG-SJORKVTESA-N 2 0 311.429 2.531 20 0 DFADRP COC1(C[NH2+]C[C@@H]2C[N@H+](C)C[C@H]2c2ccccc2)CCCC1 ZINC000647249190 431529239 /nfs/dbraw/zinc/52/92/39/431529239.db2.gz HZWOALXTCIEKAV-MSOLQXFVSA-N 2 0 302.462 2.881 20 0 DFADRP C[N@@H+]1CC[C@@]2(C1)CCC[NH+](CCC(=O)Nc1cccc(F)c1)C2 ZINC000660656736 431530633 /nfs/dbraw/zinc/53/06/33/431530633.db2.gz WXVUERBMFOCOTB-GOSISDBHSA-N 2 0 319.424 2.572 20 0 DFADRP CC(C)[C@@H]([NH2+]CC1(O)CC[NH+](C)CC1)c1cc(F)ccc1F ZINC000358752169 279904585 /nfs/dbraw/zinc/90/45/85/279904585.db2.gz JSUMKZQHOKLDGZ-MRXNPFEDSA-N 2 0 312.404 2.708 20 0 DFADRP [NH3+]Cc1ccc(-c2noc(-c3cccn3C3CC[NH2+]CC3)n2)cc1 ZINC000647158375 431486336 /nfs/dbraw/zinc/48/63/36/431486336.db2.gz AHFVILTVNDQIQP-UHFFFAOYSA-N 2 0 323.400 2.588 20 0 DFADRP C[C@@H]1C[C@H]([NH2+]Cc2ccc(C[NH+]3C[C@H](C)O[C@@H](C)C3)cc2)CO1 ZINC000647170337 431490798 /nfs/dbraw/zinc/49/07/98/431490798.db2.gz WNLFKPCVZGLKDU-DRMAHVMPSA-N 2 0 318.461 2.563 20 0 DFADRP C[NH+]1CCN(c2cc(C[NH2+]C3CCC(F)(F)CC3)ccn2)CC1 ZINC000647171476 431490933 /nfs/dbraw/zinc/49/09/33/431490933.db2.gz LIXYQGNFZFMHRT-UHFFFAOYSA-N 2 0 324.419 2.501 20 0 DFADRP Cn1ncc2c1CCC[C@H]2[NH2+]C[C@@H]1C[N@H+](C)C[C@H]1c1ccccc1 ZINC000647344053 431559142 /nfs/dbraw/zinc/55/91/42/431559142.db2.gz IDBFVYLQELNUFR-NZSAHSFTSA-N 2 0 324.472 2.733 20 0 DFADRP C[C@H]([NH2+]C[C@@H]1C[N@H+](C)C[C@H]1c1ccccc1)C1CCOCC1 ZINC000647344467 431559606 /nfs/dbraw/zinc/55/96/06/431559606.db2.gz REMVNLIBVJNDFQ-IPELMVKDSA-N 2 0 302.462 2.737 20 0 DFADRP C[C@H]([NH2+]C[C@@H]1C[N@H+](C)C[C@H]1c1ccccc1)[C@H]1CCCOC1 ZINC000647344656 431561607 /nfs/dbraw/zinc/56/16/07/431561607.db2.gz WIKQACFJHMQCOZ-KANFNMMFSA-N 2 0 302.462 2.737 20 0 DFADRP CC(C)C[C@@H]([NH2+]CC(C)(C)N1CC[NH+](C)CC1)c1ccncc1 ZINC000647282436 431535509 /nfs/dbraw/zinc/53/55/09/431535509.db2.gz XICGMRJYJMWAKK-GOSISDBHSA-N 2 0 318.509 2.784 20 0 DFADRP C[N@@H+]1CC[C@@]2(C1)CCC[NH+](C[C@@H](O)Cc1cccc(Cl)c1)C2 ZINC000660661265 431536939 /nfs/dbraw/zinc/53/69/39/431536939.db2.gz BZKZTPSRWNWLOW-ZWKOTPCHSA-N 2 0 322.880 2.661 20 0 DFADRP C[N@@H+]1CC[C@H]([NH2+][C@@H]2CCO[C@@H](c3cccnc3)C2)[C@@H]2CCC[C@H]21 ZINC000647338378 431553640 /nfs/dbraw/zinc/55/36/40/431553640.db2.gz LWYQMTUDPTYEGO-ICBNADEASA-N 2 0 315.461 2.764 20 0 DFADRP CCCC[N@H+](C[C@H](O)C[NH+](C)C(C)C)[C@@H]1CCCC[C@H]1OC ZINC000660724866 431565535 /nfs/dbraw/zinc/56/55/35/431565535.db2.gz HZIWZZXMXPIFMC-KZNAEPCWSA-N 2 0 314.514 2.747 20 0 DFADRP CC(C)[C@H](C(=O)N(C)C1CC[NH+](C(C)C)CC1)[NH+]1CCCCC1 ZINC000354555859 280135480 /nfs/dbraw/zinc/13/54/80/280135480.db2.gz BKAIDNWELSSITM-GOSISDBHSA-N 2 0 323.525 2.828 20 0 DFADRP C[C@]1(C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)OCCc2sccc21 ZINC000353610154 280159533 /nfs/dbraw/zinc/15/95/33/280159533.db2.gz LSLZVTWURPMWBN-JJRVBVJISA-N 2 0 306.475 2.752 20 0 DFADRP CC(C)[C@H](C(=O)NCc1ccccc1C[N@H+](C)C(C)C)[NH+](C)C ZINC000106432340 280175911 /nfs/dbraw/zinc/17/59/11/280175911.db2.gz UOKQRWIQHCDNOQ-GOSISDBHSA-N 2 0 319.493 2.729 20 0 DFADRP Cc1ccc(C[NH2+]Cc2ccc(OCC[NH+](C)C)cc2)nc1C ZINC000657000305 431575278 /nfs/dbraw/zinc/57/52/78/431575278.db2.gz URINVGAUSCLAIH-UHFFFAOYSA-N 2 0 313.445 2.929 20 0 DFADRP C(c1nc2c(s1)CCCC2)[NH+]1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000647483187 431601400 /nfs/dbraw/zinc/60/14/00/431601400.db2.gz ADEGOXFVPKDCFI-AWEZNQCLSA-N 2 0 305.491 2.986 20 0 DFADRP c1cnn(-c2cccc(C[N@@H+]3CCC[C@H]([C@H]4CCC[NH2+]4)C3)c2)c1 ZINC000647480234 431601915 /nfs/dbraw/zinc/60/19/15/431601915.db2.gz HICRTRFWDQYILF-PKOBYXMFSA-N 2 0 310.445 2.836 20 0 DFADRP CCC[N@H+](Cc1ccc(OCC[NH+](C)C)cc1)C1CC[NH2+]CC1 ZINC000647484446 431603087 /nfs/dbraw/zinc/60/30/87/431603087.db2.gz KXKOKGBZFDUDCL-UHFFFAOYSA-N 3 0 319.493 2.591 20 0 DFADRP [NH3+][C@@H]1CCO[C@H]([C@H]2CCC[N@H+](Cc3cc(F)ccc3F)C2)C1 ZINC000650706628 431653527 /nfs/dbraw/zinc/65/35/27/431653527.db2.gz OSCJVWXTBRYCTR-MJEQTWJJSA-N 2 0 310.388 2.683 20 0 DFADRP CCOc1ccc(C[N@@H+]2CCC[C@H]([C@@H]3C[C@@H]([NH3+])CCO3)C2)cc1 ZINC000650705530 431654197 /nfs/dbraw/zinc/65/41/97/431654197.db2.gz KORYBVZDMRMLSA-LNLFQRSKSA-N 2 0 318.461 2.804 20 0 DFADRP [NH3+][C@H]1CCO[C@H](C2CC[NH+](Cc3cccc4c3CCC4)CC2)C1 ZINC000650704146 431654674 /nfs/dbraw/zinc/65/46/74/431654674.db2.gz KAAZMTDFFZFQNS-ICSRJNTNSA-N 2 0 314.473 2.894 20 0 DFADRP COc1ccc(C[N@@H+]2CCC[C@H]([C@@H]3C[C@H]([NH3+])CCO3)C2)cc1F ZINC000650706416 431655083 /nfs/dbraw/zinc/65/50/83/431655083.db2.gz JXZFKOHXNWXECM-DAYGRLMNSA-N 2 0 322.424 2.553 20 0 DFADRP c1cc(O[C@@H]2CCOC2)ccc1C[NH2+]CCC[NH+]1CCCCC1 ZINC000657295852 431655633 /nfs/dbraw/zinc/65/56/33/431655633.db2.gz LETGYWNTXSUXTC-LJQANCHMSA-N 2 0 318.461 2.820 20 0 DFADRP COc1cc2c(c(C[N@@H+]3C[C@@H]4CCC[C@]4(C[NH3+])C3)c1)O[C@H](C)C2 ZINC000650709390 431656994 /nfs/dbraw/zinc/65/69/94/431656994.db2.gz XQJXEDJKLNLJGE-AZOIQLNYSA-N 2 0 316.445 2.579 20 0 DFADRP CCN(CC)c1ncc(C[N@@H+]2CCC[C@H](C)[C@H]2CC[NH3+])s1 ZINC000650711356 431657733 /nfs/dbraw/zinc/65/77/33/431657733.db2.gz QVEJMNDVOHXAAK-DZGCQCFKSA-N 2 0 310.511 2.939 20 0 DFADRP C[NH2+]Cc1ccccc1C[NH2+][C@@H](C)Cc1ccn(C(C)C)n1 ZINC000650719026 431661997 /nfs/dbraw/zinc/66/19/97/431661997.db2.gz AMZBUAQDTBLLJZ-HNNXBMFYSA-N 2 0 300.450 2.904 20 0 DFADRP CCO[C@@H]1CN(Cc2ccc(C(F)(F)F)s2)C[C@H]1C[NH3+] ZINC000650714570 431659092 /nfs/dbraw/zinc/65/90/92/431659092.db2.gz ONBTYJWMNCBJED-MWLCHTKSSA-N 2 0 308.369 2.563 20 0 DFADRP CCOc1cccc(C[NH2+]CCC2(C[NH3+])CC2)c1OC(F)F ZINC000650712006 431659148 /nfs/dbraw/zinc/65/91/48/431659148.db2.gz MKYGXUKRDGBZJJ-UHFFFAOYSA-N 2 0 314.376 2.905 20 0 DFADRP C[C@@H]1C[C@H]([NH2+]CCC2(C[NH3+])CC2)CCN1Cc1ccccc1 ZINC000650713436 431659655 /nfs/dbraw/zinc/65/96/55/431659655.db2.gz SLGJSAPPQBMTKF-SJLPKXTDSA-N 2 0 301.478 2.758 20 0 DFADRP C[N@H+](CCC[NH3+])Cc1cn(C2CCCC2)nc1-c1ccccn1 ZINC000647496985 431605219 /nfs/dbraw/zinc/60/52/19/431605219.db2.gz GVMYRPZUHVCBDZ-UHFFFAOYSA-N 2 0 313.449 2.841 20 0 DFADRP CC[C@@H]1C[N@H+](Cc2c[nH]nc2-c2ccc(F)cc2)CC[C@@H]1[NH3+] ZINC000647498611 431609989 /nfs/dbraw/zinc/60/99/89/431609989.db2.gz KZKYOIPZHHYKAM-WBMJQRKESA-N 2 0 302.397 2.775 20 0 DFADRP C[C@H]1CC[N@H+](Cc2ccccc2)CCN1C[C@@H]1CCC[NH2+]C1 ZINC000647515490 431611424 /nfs/dbraw/zinc/61/14/24/431611424.db2.gz HRPOLKDJJOLTGM-PKOBYXMFSA-N 2 0 301.478 2.582 20 0 DFADRP CC[N@H+](Cc1ccc(OCC[NH+](C)C)cc1)[C@H]1CCC[NH2+]CC1 ZINC000647521658 431614123 /nfs/dbraw/zinc/61/41/23/431614123.db2.gz SSWDJRRQUWPQSR-SFHVURJKSA-N 3 0 319.493 2.591 20 0 DFADRP CC(C)[N@H+](C)C[C@H](O)C[NH+]1CCC[C@@]1(C)Cc1ccc(F)cc1 ZINC000660829745 431616734 /nfs/dbraw/zinc/61/67/34/431616734.db2.gz GKZWZDMKXWBJGU-OALUTQOASA-N 2 0 322.468 2.924 20 0 DFADRP [NH3+]C[C@@H]1C[N@H+](Cc2cnc3ccccn23)C[C@H]1c1ccccc1 ZINC000647536359 431619051 /nfs/dbraw/zinc/61/90/51/431619051.db2.gz BQTOWNFLNFAGNY-AEFFLSMTSA-N 2 0 306.413 2.509 20 0 DFADRP C(c1nc2c(s1)CCCC2)[NH+]1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000647542102 431621753 /nfs/dbraw/zinc/62/17/53/431621753.db2.gz XIBZUTNTYKDJDF-CQSZACIVSA-N 2 0 305.491 2.843 20 0 DFADRP c1ccc2c(c1)OCC[C@@H]2C[N@@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000647545712 431624868 /nfs/dbraw/zinc/62/48/68/431624868.db2.gz IOCITPNHYNKYEY-YESZJQIVSA-N 2 0 300.446 2.874 20 0 DFADRP COc1cc(C)c(C[N@@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)c(C)n1 ZINC000647544194 431625171 /nfs/dbraw/zinc/62/51/71/431625171.db2.gz YBBFBJBZNIDAQR-DLBZAZTESA-N 2 0 317.477 2.919 20 0 DFADRP Fc1cccc(F)c1N1CC[C@H]([NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)C1 ZINC000647549922 431627192 /nfs/dbraw/zinc/62/71/92/431627192.db2.gz XZBSHDFOECKNIU-BARDWOONSA-N 2 0 321.415 2.521 20 0 DFADRP FC(F)(F)c1csc(C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)n1 ZINC000647550474 431628876 /nfs/dbraw/zinc/62/88/76/431628876.db2.gz RUYSCPFSUBBSLH-IVZWLZJFSA-N 2 0 305.369 2.640 20 0 DFADRP Cc1ccc(-c2nn(C)cc2C[NH2+]Cc2ccc(C[NH3+])cc2)o1 ZINC000647553371 431630695 /nfs/dbraw/zinc/63/06/95/431630695.db2.gz XLYFBVJPEPSQPD-UHFFFAOYSA-N 2 0 310.401 2.737 20 0 DFADRP Cc1ccc2cc(C[NH2+]CCCC[NH+]3CCN(C)CC3)[nH]c2c1 ZINC000657307252 431665894 /nfs/dbraw/zinc/66/58/94/431665894.db2.gz DSADOEZPGUEAQX-UHFFFAOYSA-N 2 0 314.477 2.594 20 0 DFADRP CCc1nc(CN2CCCC[C@@H]2[C@H]2C[C@H]([NH3+])CCO2)cs1 ZINC000650723754 431666108 /nfs/dbraw/zinc/66/61/08/431666108.db2.gz SXCMOIWYHKVZPB-BPLDGKMQSA-N 2 0 309.479 2.566 20 0 DFADRP CC1CC[NH+](CCCC[NH2+]Cc2cn(C3CCC3)nn2)CC1 ZINC000657312066 431669185 /nfs/dbraw/zinc/66/91/85/431669185.db2.gz DGZSXGBECAFUHY-UHFFFAOYSA-N 2 0 305.470 2.605 20 0 DFADRP c1cn(CCCC[NH2+]Cc2ccc(O[C@@H]3CCOC3)cc2)cn1 ZINC000657323544 431675616 /nfs/dbraw/zinc/67/56/16/431675616.db2.gz HISJMSWBZPNJAU-GOSISDBHSA-N 2 0 315.417 2.621 20 0 DFADRP COC[C@H]([NH2+]CCC1(C[NH3+])CC1)c1cccc(Cl)c1F ZINC000650747818 431677367 /nfs/dbraw/zinc/67/73/67/431677367.db2.gz IDWAMISMGWXRQT-ZDUSSCGKSA-N 2 0 300.805 2.885 20 0 DFADRP C[C@@H]([NH2+]Cc1ccc(C[NH3+])cc1F)c1ccc2c(c1)OCCO2 ZINC000650752302 431678809 /nfs/dbraw/zinc/67/88/09/431678809.db2.gz NTSIWTTYVGUDBI-GFCCVEGCSA-N 2 0 316.376 2.906 20 0 DFADRP c1cc([C@@H]2C[C@H]([NH2+][C@@H]3CCC[C@@H]3[C@H]3CCC[NH2+]3)CCO2)ccn1 ZINC000650752349 431679819 /nfs/dbraw/zinc/67/98/19/431679819.db2.gz PKLRRSRWVFOABV-NNIGNNQHSA-N 2 0 315.461 2.812 20 0 DFADRP C[N@H+](CCNCc1ccnn1-c1cc[nH+]cc1)C1CCCCC1 ZINC000657331846 431679975 /nfs/dbraw/zinc/67/99/75/431679975.db2.gz RJTRTZINZYAOPW-UHFFFAOYSA-N 2 0 313.449 2.621 20 0 DFADRP c1c(CNC2CC[NH+](CC3CCCC3)CC2)nnn1C1CCC1 ZINC000657336317 431682064 /nfs/dbraw/zinc/68/20/64/431682064.db2.gz QKMBIHVTGVJAMK-UHFFFAOYSA-N 2 0 317.481 2.747 20 0 DFADRP COC[C@H](C)Oc1ccc(C[NH2+]C[C@H]2CC[N@@H+](C(C)C)C2)cc1 ZINC000657336135 431682804 /nfs/dbraw/zinc/68/28/04/431682804.db2.gz XJIRINLTWWDHCZ-FUHWJXTLSA-N 2 0 320.477 2.920 20 0 DFADRP CC[N@@H+]1CCC[C@@H](C[NH2+]Cc2ccc(O[C@@H](C)COC)cc2)C1 ZINC000657337468 431683904 /nfs/dbraw/zinc/68/39/04/431683904.db2.gz VSVROEZJAXHPTB-WMZOPIPTSA-N 2 0 320.477 2.922 20 0 DFADRP c1csc(-c2nc(C[NH2+][C@@H]3CC[C@@H]4C[NH2+]C[C@H]4C3)co2)c1 ZINC000647784299 431683958 /nfs/dbraw/zinc/68/39/58/431683958.db2.gz PYOMEVIVRCKCKK-JHJVBQTASA-N 2 0 303.431 2.881 20 0 DFADRP C[C@@H]1CN(Cc2ccccc2)CC[C@H]1[NH2+]CCC1CC[NH2+]CC1 ZINC000650763982 431684913 /nfs/dbraw/zinc/68/49/13/431684913.db2.gz NKYRMZHSUUGYIM-YLJYHZDGSA-N 2 0 315.505 2.876 20 0 DFADRP COc1ccccc1C(C)(C)C[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000647785739 431685373 /nfs/dbraw/zinc/68/53/73/431685373.db2.gz DSCWQAHPOPXGLA-HRCADAONSA-N 2 0 302.462 2.951 20 0 DFADRP C[C@H](O)C[C@H](C[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)c1ccccc1 ZINC000647789548 431686347 /nfs/dbraw/zinc/68/63/47/431686347.db2.gz HCMKYPRZVKQWNB-SXXASDTRSA-N 2 0 302.462 2.519 20 0 DFADRP FC(F)(F)c1csc(CC[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)n1 ZINC000647788731 431686359 /nfs/dbraw/zinc/68/63/59/431686359.db2.gz PNANRMQHTVTTLN-GMTAPVOTSA-N 2 0 319.396 2.682 20 0 DFADRP C[C@H]([NH2+]CCC1CC[NH2+]CC1)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000650764422 431687572 /nfs/dbraw/zinc/68/75/72/431687572.db2.gz YFJYEITWZXYBEB-ZDUSSCGKSA-N 2 0 315.461 2.957 20 0 DFADRP Fc1ccc2c(CC[NH2+][C@@H]3CC[C@H]4C[NH2+]C[C@H]4C3)c[nH]c2c1 ZINC000647788522 431687986 /nfs/dbraw/zinc/68/79/86/431687986.db2.gz LEWPKQYLYDJCTN-JGGQBBKZSA-N 2 0 301.409 2.827 20 0 DFADRP C[C@H](O)C[C@H](C[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1)c1ccccc1 ZINC000647789547 431688192 /nfs/dbraw/zinc/68/81/92/431688192.db2.gz HCMKYPRZVKQWNB-BHNDVYRESA-N 2 0 302.462 2.519 20 0 DFADRP CC[C@H](C[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1)Oc1ccccc1F ZINC000647788479 431688211 /nfs/dbraw/zinc/68/82/11/431688211.db2.gz KDSCUGWMFBLXHU-ZJIFWQFVSA-N 2 0 306.425 2.961 20 0 DFADRP c1ccc([C@H](CN2CCCC2)[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC000647789084 431688285 /nfs/dbraw/zinc/68/82/85/431688285.db2.gz XZSFQNIVTSITON-WCIQWLHISA-N 2 0 313.489 2.801 20 0 DFADRP Cn1cc(CC[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)c2ccc(F)cc21 ZINC000647795831 431688888 /nfs/dbraw/zinc/68/88/88/431688888.db2.gz XSOGXZDPWWOGDQ-UKPHBRMFSA-N 2 0 315.436 2.838 20 0 DFADRP Fc1ccccc1N1CCC[C@H]([NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)C1 ZINC000647793818 431689592 /nfs/dbraw/zinc/68/95/92/431689592.db2.gz JGLCVQQNGDNFMX-HZMVEIRTSA-N 2 0 317.452 2.772 20 0 DFADRP c1ccc(COC2CC([NH2+][C@@H]3CC[C@H]4C[NH2+]C[C@H]4C3)C2)cc1 ZINC000647795007 431689843 /nfs/dbraw/zinc/68/98/43/431689843.db2.gz HSKUWMZWXZIGPT-KYSLSKSNSA-N 2 0 300.446 2.712 20 0 DFADRP C[C@H]([NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)[C@@H]1OCCc2sccc21 ZINC000647798878 431690827 /nfs/dbraw/zinc/69/08/27/431690827.db2.gz YLXPOIZHYDTAAP-TVRNETQVSA-N 2 0 306.475 2.728 20 0 DFADRP C[C@H]([NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1)c1nccn1-c1ccccc1 ZINC000647796782 431691408 /nfs/dbraw/zinc/69/14/08/431691408.db2.gz NSMIJWSJWGUZAX-MWDXBVQZSA-N 2 0 310.445 2.911 20 0 DFADRP OCC[C@H]([NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1)c1ccc(Cl)cc1 ZINC000647796734 431691635 /nfs/dbraw/zinc/69/16/35/431691635.db2.gz LPGSVSOEGDTNTB-ABFRBSLYSA-N 2 0 308.853 2.741 20 0 DFADRP c1ccc(N2CCC[C@H](C[NH2+][C@@H]3CC[C@@H]4C[NH2+]C[C@H]4C3)C2)cc1 ZINC000647797084 431692068 /nfs/dbraw/zinc/69/20/68/431692068.db2.gz XPYFSUJRWOPTEM-NCXUSEDFSA-N 2 0 313.489 2.881 20 0 DFADRP C[C@H](C[NH2+]C1CCC(C2CCC2)CC1)CN1CC[NH+](C)CC1 ZINC000657347409 431692594 /nfs/dbraw/zinc/69/25/94/431692594.db2.gz ZOGRMEQRCNGOTP-IPJUCJBFSA-N 2 0 307.526 2.818 20 0 DFADRP C[N@H+](CCC[NH3+])CCC(=O)Nc1ccccc1-c1ccccc1 ZINC000647849167 431706236 /nfs/dbraw/zinc/70/62/36/431706236.db2.gz JWNGQQHRDOJVTJ-UHFFFAOYSA-N 2 0 311.429 2.963 20 0 DFADRP C[C@H]([NH3+])[C@@H]1CN(CCCOc2cccc(C(C)(C)C)c2)CCO1 ZINC000647863611 431711430 /nfs/dbraw/zinc/71/14/30/431711430.db2.gz GFDRQTHORHKCNG-YJBOKZPZSA-N 2 0 320.477 2.801 20 0 DFADRP C[C@@H]([NH3+])[C@@H]1CN(CCCc2ccc(C(F)(F)F)cc2)CCO1 ZINC000647864448 431711515 /nfs/dbraw/zinc/71/15/15/431711515.db2.gz WMUYYFHMHPNEBE-DOMZBBRYSA-N 2 0 316.367 2.686 20 0 DFADRP C[C@H]([NH3+])[C@H]1CN(CCCSc2ccccc2Cl)CCO1 ZINC000647863584 431711587 /nfs/dbraw/zinc/71/15/87/431711587.db2.gz FNYVPKGOLLBNBE-GXTWGEPZSA-N 2 0 314.882 2.870 20 0 DFADRP CCC(CC)[C@H](CNCc1ccnn1-c1cc[nH+]cc1)[NH+](C)C ZINC000657303745 431662348 /nfs/dbraw/zinc/66/23/48/431662348.db2.gz PXQGCHYPYYKYQI-SFHVURJKSA-N 2 0 315.465 2.723 20 0 DFADRP CCn1nccc1[C@@H]1OCCC[C@H]1C[NH2+]CCC[N@H+](C)C(C)C ZINC000657304925 431662525 /nfs/dbraw/zinc/66/25/25/431662525.db2.gz KATJWKAIGAAWIQ-FUHWJXTLSA-N 2 0 322.497 2.691 20 0 DFADRP COc1ccc(OCCC[N@@H+]2CCC[C@H]([C@H]3CCC[NH2+]3)C2)cc1 ZINC000647901738 431724177 /nfs/dbraw/zinc/72/41/77/431724177.db2.gz UOUBRQMOKABDBB-QFBILLFUSA-N 2 0 318.461 2.928 20 0 DFADRP CC(C)CC[NH+]1CCC(C[NH2+]Cc2cnc3n2CCC3)CC1 ZINC000657391620 431724406 /nfs/dbraw/zinc/72/44/06/431724406.db2.gz VPPSFTDSCWBDEV-UHFFFAOYSA-N 2 0 304.482 2.677 20 0 DFADRP CC[C@H](C)[N@H+](CC)CC(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000661103121 431731302 /nfs/dbraw/zinc/73/13/02/431731302.db2.gz DUENINGGLUCXQU-DOTOQJQBSA-N 2 0 305.466 2.526 20 0 DFADRP Cn1nc(C(F)(F)F)cc1CNCC(C)(C)C[NH+]1CCCC1 ZINC000657446302 431757133 /nfs/dbraw/zinc/75/71/33/431757133.db2.gz HSQVMAWEFKOOGD-UHFFFAOYSA-N 2 0 318.387 2.651 20 0 DFADRP Fc1c(C[NH2+]C[C@@H]2CCc3nccn3C2)cccc1OC1CC1 ZINC000657442862 431757962 /nfs/dbraw/zinc/75/79/62/431757962.db2.gz BGNJLSWZCWLZIO-ZDUSSCGKSA-N 2 0 315.392 2.916 20 0 DFADRP Oc1ccc2c(c1)CC[C@H]([NH2+]Cc1ccnn1-c1cc[nH+]cc1)C2 ZINC000657450398 431759161 /nfs/dbraw/zinc/75/91/61/431759161.db2.gz REUBTRRNMZSZKG-INIZCTEOSA-N 2 0 320.396 2.620 20 0 DFADRP C(c1noc2c1CCCC2)[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647977996 431762033 /nfs/dbraw/zinc/76/20/33/431762033.db2.gz KTOQTNBTLVAEPG-HUUCEWRRSA-N 2 0 303.450 2.765 20 0 DFADRP C[C@H](C(=O)NC1CCCCC1)[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647976909 431762463 /nfs/dbraw/zinc/76/24/63/431762463.db2.gz VYDFFCFDQHXQQX-ZACQAIPSSA-N 2 0 321.509 2.535 20 0 DFADRP CCCCc1noc(C[N@@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)n1 ZINC000647976884 431763333 /nfs/dbraw/zinc/76/33/33/431763333.db2.gz VSCOMDOLDAWVEC-HUUCEWRRSA-N 2 0 306.454 2.624 20 0 DFADRP CC(C)CCc1noc(C[N@@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)n1 ZINC000647977804 431763479 /nfs/dbraw/zinc/76/34/79/431763479.db2.gz HSWCMHZTMBSXCW-HZPDHXFCSA-N 2 0 320.481 2.870 20 0 DFADRP CCOc1ccc(C[NH2+]CCN2CC[N@H+](C)C(C)(C)C2)c(C)c1 ZINC000657458730 431763806 /nfs/dbraw/zinc/76/38/06/431763806.db2.gz OIBSUUWBDWRWMD-UHFFFAOYSA-N 2 0 319.493 2.509 20 0 DFADRP Cc1cc(C)cc(OCC[NH+]2CCC([C@@H]3OCC[C@H]3[NH3+])CC2)c1 ZINC000647983806 431764084 /nfs/dbraw/zinc/76/40/84/431764084.db2.gz MIJVUMCSBUXJLM-MOPGFXCFSA-N 2 0 318.461 2.510 20 0 DFADRP C[C@H]([NH2+]Cc1cnc2n1CCC2)c1ccc(-n2cccn2)cc1 ZINC000657381938 431715877 /nfs/dbraw/zinc/71/58/77/431715877.db2.gz CDZOGCREHQPNQS-AWEZNQCLSA-N 2 0 307.401 2.866 20 0 DFADRP Cc1ccc(CC[N@H+](C[C@H]2CC[NH2+]C2)C[C@@H]2CCCO2)cc1 ZINC000647889380 431719316 /nfs/dbraw/zinc/71/93/16/431719316.db2.gz LKZNBRFUKFUTNP-OALUTQOASA-N 2 0 302.462 2.628 20 0 DFADRP COC[C@@H](C)Oc1ccc(C[NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)cc1 ZINC000657504127 431791465 /nfs/dbraw/zinc/79/14/65/431791465.db2.gz CFADUNKODFUVPM-OIISXLGYSA-N 2 0 306.450 2.530 20 0 DFADRP CC(C)[C@H]1C[C@@H]([NH2+]CC2CC[NH+](C3CCOCC3)CC2)CCO1 ZINC000657534637 431799617 /nfs/dbraw/zinc/79/96/17/431799617.db2.gz BMCPFEXXDNVLQU-PKOBYXMFSA-N 2 0 324.509 2.671 20 0 DFADRP CC[C@@H](C[N@@H+]1CCOC2(CC[NH+](C)CC2)C1)c1ccccc1 ZINC000648071579 431808168 /nfs/dbraw/zinc/80/81/68/431808168.db2.gz JKPVXWYKYUSMFP-KRWDZBQOSA-N 2 0 302.462 2.977 20 0 DFADRP CC[C@@H](COCC1CC1)[NH2+]Cc1cn(-c2cc[nH+]cc2)nc1C ZINC000657562956 431809322 /nfs/dbraw/zinc/80/93/22/431809322.db2.gz QKDUCKCIWKMPAY-KRWDZBQOSA-N 2 0 314.433 2.871 20 0 DFADRP C[C@@H](CN(C)CCC[NH+](C)C)[NH2+]Cc1nccc2ccccc21 ZINC000657572746 431814345 /nfs/dbraw/zinc/81/43/45/431814345.db2.gz DKPRPSXSAZOVBD-INIZCTEOSA-N 2 0 314.477 2.596 20 0 DFADRP CSc1ccc(C[NH2+][C@@H](C)CN(C)CCC[NH+](C)C)s1 ZINC000657572776 431815456 /nfs/dbraw/zinc/81/54/56/431815456.db2.gz GAJIDYHCWJPMGD-ZDUSSCGKSA-N 2 0 315.552 2.832 20 0 DFADRP C[C@@H](CN(C)CCC[NH+](C)C)[NH2+]Cc1ccsc1Cl ZINC000657573721 431815743 /nfs/dbraw/zinc/81/57/43/431815743.db2.gz RFAWOVNDLCNQSF-LBPRGKRZSA-N 2 0 303.903 2.763 20 0 DFADRP Cc1ccncc1CC[NH2+]Cc1ccc(OCC[NH+](C)C)cc1 ZINC000657588703 431818646 /nfs/dbraw/zinc/81/86/46/431818646.db2.gz VFODCQSPYKQIHS-UHFFFAOYSA-N 2 0 313.445 2.663 20 0 DFADRP c1ccc(C[N@H+]2CCC[C@@H]3CN(C[C@H]4CC[NH2+]C4)CC[C@H]32)cc1 ZINC000647990922 431765976 /nfs/dbraw/zinc/76/59/76/431765976.db2.gz VGJPHXWUORTZFX-XUVXKRRUSA-N 2 0 313.489 2.582 20 0 DFADRP COC[C@@H](Cc1ccccc1)[N@H+](C)CCCC1CC[NH2+]CC1 ZINC000647990773 431766034 /nfs/dbraw/zinc/76/60/34/431766034.db2.gz FYIGAFPWQZFTHY-LJQANCHMSA-N 2 0 304.478 2.956 20 0 DFADRP COC[C@H](Cc1ccccc1)[N@H+](C)CCCC1CC[NH2+]CC1 ZINC000647990772 431767082 /nfs/dbraw/zinc/76/70/82/431767082.db2.gz FYIGAFPWQZFTHY-IBGZPJMESA-N 2 0 304.478 2.956 20 0 DFADRP COCC1(CC[NH2+]Cc2ccnn2-c2cc[nH+]cc2)CCC1 ZINC000657475464 431775118 /nfs/dbraw/zinc/77/51/18/431775118.db2.gz UQDWYJMFIUBDTI-UHFFFAOYSA-N 2 0 300.406 2.564 20 0 DFADRP Cc1cc(C[NH2+]Cc2ccc(C[N@@H+]3CC[C@H](O)C3)cc2)cs1 ZINC000657595502 431820830 /nfs/dbraw/zinc/82/08/30/431820830.db2.gz IEENLUIGMGMOFV-SFHVURJKSA-N 2 0 316.470 2.913 20 0 DFADRP Cc1ccccc1C[NH2+]Cc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1 ZINC000657596817 431821864 /nfs/dbraw/zinc/82/18/64/431821864.db2.gz ZFKOKWVPEMSBPH-FQEVSTJZSA-N 2 0 310.441 2.851 20 0 DFADRP Cc1ccc2c(c1)[C@H]([NH2+]CCCN1CCC[N@H+](C)CC1)[C@H](C)C2 ZINC000180467992 281116892 /nfs/dbraw/zinc/11/68/92/281116892.db2.gz DXVBDXTYJKCFDY-YLJYHZDGSA-N 2 0 315.505 2.846 20 0 DFADRP Cc1ccc2[nH+]ccc(N3CC[C@H]([NH+]4CCOCC4)[C@H]3C)c2c1 ZINC000357593601 281170154 /nfs/dbraw/zinc/17/01/54/281170154.db2.gz HPEDEFBJTBJINV-QAPCUYQASA-N 2 0 311.429 2.843 20 0 DFADRP Cc1[nH+]c2ccccc2c(N2CC[N@@H+](C[C@H](C)O)[C@@H](C)C2)c1C ZINC000302088407 282073048 /nfs/dbraw/zinc/07/30/48/282073048.db2.gz OJOWKKMOZJQOSR-KBPBESRZSA-N 2 0 313.445 2.743 20 0 DFADRP C[C@@H]1CCC[N@H+](Cc2ccc(NC(=O)[C@H]3CCC[NH+]3C)cc2)C1 ZINC000299501319 533692306 /nfs/dbraw/zinc/69/23/06/533692306.db2.gz IARNRNRNMPHNOI-CRAIPNDOSA-N 2 0 315.461 2.951 20 0 DFADRP CC(C)C[C@@H](C[NH3+])NC(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C ZINC000415786099 289137526 /nfs/dbraw/zinc/13/75/26/289137526.db2.gz JBJSAJAGIDAYDX-DOTOQJQBSA-N 2 0 318.465 2.730 20 0 DFADRP CC(C)(CC[NH+]1CCCCCC1)NC(=O)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000418568387 289149332 /nfs/dbraw/zinc/14/93/32/289149332.db2.gz BNVGPRYHRSLOLN-JKSUJKDBSA-N 2 0 324.513 2.600 20 0 DFADRP C[NH+](C)C[C@@H](NC(=O)CC1(C[NH3+])CCCCC1)c1ccccc1 ZINC000185352381 289187747 /nfs/dbraw/zinc/18/77/47/289187747.db2.gz QJAIVVVCPCZGNM-QGZVFWFLSA-N 2 0 317.477 2.705 20 0 DFADRP C[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@@H]21)c1ccc(NC(N)=O)cc1 ZINC000367755644 290017343 /nfs/dbraw/zinc/01/73/43/290017343.db2.gz PYPDHMFROUQSLZ-DXEWXGHRSA-N 2 0 316.449 2.701 20 0 DFADRP C[C@H]([NH2+][C@@H]1C[C@H](C)[N@H+](C)C[C@H]1C)c1ccc([S@@](C)=O)cc1 ZINC000271564876 290031062 /nfs/dbraw/zinc/03/10/62/290031062.db2.gz UWHSYZQLWIHRMI-QQNUQXGMSA-N 2 0 308.491 2.803 20 0 DFADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NCC1([NH+](C)C)CCC1 ZINC000275685225 297032540 /nfs/dbraw/zinc/03/25/40/297032540.db2.gz IQTQWEOXYQMIFF-IEBWSBKVSA-N 2 0 315.505 2.971 20 0 DFADRP COC(=O)C(C)(C)CC[NH2+]C[C@@H]1CCC[N@@H+]1C1CCCCC1 ZINC000437343274 297059988 /nfs/dbraw/zinc/05/99/88/297059988.db2.gz CKFUPHSNMIDGSC-INIZCTEOSA-N 2 0 310.482 2.962 20 0 DFADRP CC1CC[NH+](CC(=O)NC[C@H]2CCC[N@@H+]2C2CCCCC2)CC1 ZINC000437846705 297072141 /nfs/dbraw/zinc/07/21/41/297072141.db2.gz BGVGTHSGTROAOS-GOSISDBHSA-N 2 0 321.509 2.632 20 0 DFADRP CC[C@@H](Cc1ccc(OC)c(OC)c1)[NH2+]C1CCC([NH3+])CC1 ZINC000437803700 297070388 /nfs/dbraw/zinc/07/03/88/297070388.db2.gz SYGHWQULLSABKG-PCKAHOCUSA-N 2 0 306.450 2.884 20 0 DFADRP [NH3+]Cc1ccc(-c2noc(-c3ccc4c(c3)CC[NH2+]CC4)n2)cc1 ZINC000262097076 295277519 /nfs/dbraw/zinc/27/75/19/295277519.db2.gz VGQZEIRFJPYXQC-UHFFFAOYSA-N 2 0 320.396 2.551 20 0 DFADRP CC[NH+](CC)[C@@H](CNC(=O)C[NH2+]C1CC1)c1ccccc1Cl ZINC000154618879 295303625 /nfs/dbraw/zinc/30/36/25/295303625.db2.gz GLMVTYGRGCWLTH-INIZCTEOSA-N 2 0 323.868 2.591 20 0 DFADRP CC[NH+]1CCN([C@H](C)C[NH2+][C@H](C)c2cc(C)cc(C)c2)CC1 ZINC000155558185 295320988 /nfs/dbraw/zinc/32/09/88/295320988.db2.gz VLLPBQCVJAOKGT-QZTJIDSGSA-N 2 0 303.494 2.980 20 0 DFADRP CC[NH+]1CCN([C@@H](C)C[NH2+][C@H](C)c2ccc(C)c(C)c2)CC1 ZINC000155631342 295322292 /nfs/dbraw/zinc/32/22/92/295322292.db2.gz VDCYRGKLCOJRSV-ZWKOTPCHSA-N 2 0 303.494 2.980 20 0 DFADRP c1csc(CN2CCN(Cc3cnc4ccccn34)CC2)c1 ZINC000157432468 295348284 /nfs/dbraw/zinc/34/82/84/295348284.db2.gz GRLDQFOVNRIMMX-UHFFFAOYSA-N 2 0 312.442 2.714 20 0 DFADRP CC(C)CC[C@H]([NH2+][C@H]1CCN(C2CC[NH+](C)CC2)C1)C1CC1 ZINC000374701978 295474419 /nfs/dbraw/zinc/47/44/19/295474419.db2.gz MWGBLJRRLBNSKX-HKUYNNGSSA-N 2 0 307.526 2.959 20 0 DFADRP CC1(C)CC([NH2+]CCN2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000395243769 295482945 /nfs/dbraw/zinc/48/29/45/295482945.db2.gz ZNARFOQXLNKWGR-UHFFFAOYSA-N 2 0 301.478 2.582 20 0 DFADRP C[C@@H]1C[C@H]([NH2+]CC2(O)CC[NH+](Cc3ccccc3)CC2)[C@H]1C ZINC000397493313 295487874 /nfs/dbraw/zinc/48/78/74/295487874.db2.gz NBLYVDNRUPRSQS-RYRKJORJSA-N 2 0 302.462 2.648 20 0 DFADRP C[C@H](CC1CC1)[NH2+]CC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000397486494 295487900 /nfs/dbraw/zinc/48/79/00/295487900.db2.gz CKUWLJCXGTYOTR-MRXNPFEDSA-N 2 0 302.462 2.792 20 0 DFADRP Brc1cc(C[NH2+]CC[C@H]2CCC[NH2+]C2)cs1 ZINC000398024413 295489432 /nfs/dbraw/zinc/48/94/32/295489432.db2.gz BQMGEQWJAUEOMR-SNVBAGLBSA-N 2 0 303.269 2.990 20 0 DFADRP Clc1cc(C[NH2+]C[C@H]2CC[NH2+]C2)ccc1Br ZINC000398389030 295490431 /nfs/dbraw/zinc/49/04/31/295490431.db2.gz YOUPXCPOCCWHRW-JTQLQIEISA-N 2 0 303.631 2.802 20 0 DFADRP COc1ccc([C@H](C)[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)c(OC)c1 ZINC000400958863 295499014 /nfs/dbraw/zinc/49/90/14/295499014.db2.gz KIQRKESOYPBRLW-LJISPDSOSA-N 2 0 304.434 2.743 20 0 DFADRP CC[NH+]1CCC(NC(=O)C[NH2+][C@@H]2C[C@H](C)CC[C@@H]2C(C)C)CC1 ZINC000411484318 295542193 /nfs/dbraw/zinc/54/21/93/295542193.db2.gz DTCBQAXUQCAOJV-KBAYOESNSA-N 2 0 323.525 2.637 20 0 DFADRP CC[NH+]1CCC(NC(=O)C[NH2+][C@@H](C)[C@@H](C)C2CCCCC2)CC1 ZINC000411516163 295543662 /nfs/dbraw/zinc/54/36/62/295543662.db2.gz JHNOQWDSPVOFFM-CVEARBPZSA-N 2 0 323.525 2.781 20 0 DFADRP CC(C)[C@](C)([NH2+]Cc1ccc(C[NH+]2CCCCC2)cc1)C(N)=O ZINC000411726511 295556177 /nfs/dbraw/zinc/55/61/77/295556177.db2.gz KWKJUTGDMGEOLO-IBGZPJMESA-N 2 0 317.477 2.662 20 0 DFADRP CC1CC[NH+](CCCNC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC000438575784 297099703 /nfs/dbraw/zinc/09/97/03/297099703.db2.gz FZTIUBMJCAYKDK-GOSISDBHSA-N 2 0 321.509 2.632 20 0 DFADRP C[C@@H]1C[NH+](CCC2CC[NH+](CC3(O)CCCC3)CC2)C[C@@H](C)O1 ZINC000438575946 297099791 /nfs/dbraw/zinc/09/97/91/297099791.db2.gz DNNSEVIRVJKWDV-IAGOWNOFSA-N 2 0 324.509 2.503 20 0 DFADRP Cc1ccccc1CCC[NH+]1CCC([N@@H+](C)C[C@H](C)O)CC1 ZINC000440328074 297149989 /nfs/dbraw/zinc/14/99/89/297149989.db2.gz RYIBBZZGUZSECF-KRWDZBQOSA-N 2 0 304.478 2.705 20 0 DFADRP C[N@@H+]1CCN(CC[NH2+]C/C=C\c2ccc(F)cc2F)CC1(C)C ZINC000441333367 297180019 /nfs/dbraw/zinc/18/00/19/297180019.db2.gz LUQAGINOVFFMKZ-PLNGDYQASA-N 2 0 323.431 2.594 20 0 DFADRP C[N@@H+]1CCN(CC[NH2+][C@@H]2CCC[C@H](C(F)(F)F)C2)CC1(C)C ZINC000441349999 297180404 /nfs/dbraw/zinc/18/04/04/297180404.db2.gz HCULDVDWCIYKKO-UONOGXRCSA-N 2 0 321.431 2.723 20 0 DFADRP C[NH+](C)CC1CCC(NC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC000442247259 297193222 /nfs/dbraw/zinc/19/32/22/297193222.db2.gz FJMCRIFYJQQYCT-HTWSVDAQSA-N 2 0 321.509 2.630 20 0 DFADRP COc1ccc(OCCC[N@H+](C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000442761011 297205166 /nfs/dbraw/zinc/20/51/66/297205166.db2.gz BBXAARQGRURRMQ-XYPWUTKMSA-N 2 0 304.434 2.679 20 0 DFADRP C[N@H+](CCCOCCc1ccccc1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000442790579 297206130 /nfs/dbraw/zinc/20/61/30/297206130.db2.gz LVOIYNIZEBTFSY-DFNIBXOVSA-N 2 0 302.462 2.851 20 0 DFADRP Cc1ccc(NC(=O)[C@H](C)[N@@H+]2CCC[C@@H](CC[NH3+])C2)cc1F ZINC000443058037 297213785 /nfs/dbraw/zinc/21/37/85/297213785.db2.gz IXIFSAWEKGQDTP-KBPBESRZSA-N 2 0 307.413 2.522 20 0 DFADRP [NH3+]CC[C@H]1CCC[N@H+](CCCc2nc(-c3ccccc3)no2)C1 ZINC000443058155 297213885 /nfs/dbraw/zinc/21/38/85/297213885.db2.gz JMDFMLVQPZGFQJ-OAHLLOKOSA-N 2 0 314.433 2.730 20 0 DFADRP CCn1c2cccc(F)c2nc1C[N@@H+]1CCC[C@H](CC[NH3+])C1 ZINC000443061670 297214332 /nfs/dbraw/zinc/21/43/32/297214332.db2.gz SBLGDKKKFCBEPU-CYBMUJFWSA-N 2 0 304.413 2.756 20 0 DFADRP CSc1ccccc1NC(=O)CC[N@@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000443061996 297214553 /nfs/dbraw/zinc/21/45/53/297214553.db2.gz SYKOHNDAGDOHMH-AWEZNQCLSA-N 2 0 321.490 2.798 20 0 DFADRP C[N@@H+]1CCN(CC[NH2+][C@H]2CS[C@H](C(C)(C)C)C2)CC1(C)C ZINC000443068367 297214747 /nfs/dbraw/zinc/21/47/47/297214747.db2.gz KNBBBOUUEPJPRL-CABCVRRESA-N 2 0 313.555 2.522 20 0 DFADRP CC[N@H+](Cc1ccc(C(=O)NCC[C@H]2CCC[NH2+]2)cc1)C1CC1 ZINC000444268884 297234791 /nfs/dbraw/zinc/23/47/91/297234791.db2.gz WIFPZYIPRIVETG-QGZVFWFLSA-N 2 0 315.461 2.543 20 0 DFADRP CCCC[NH+]1CCC(NC(=O)c2sccc2C[NH+](C)C)CC1 ZINC000446926442 297290317 /nfs/dbraw/zinc/29/03/17/297290317.db2.gz XZVOOORLYDYDIB-UHFFFAOYSA-N 2 0 323.506 2.804 20 0 DFADRP Cc1ccc(NC(=O)CC[N@H+](C)CC[C@H]2CCCC[NH+]2C)nc1 ZINC000447314376 297300756 /nfs/dbraw/zinc/30/07/56/297300756.db2.gz UYWBJRQARIPJMH-MRXNPFEDSA-N 2 0 318.465 2.525 20 0 DFADRP CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@](C)([NH3+])c1ccccc1 ZINC000447454401 297304322 /nfs/dbraw/zinc/30/43/22/297304322.db2.gz XTJHWAQRVMTHHH-IEBWSBKVSA-N 2 0 317.477 2.631 20 0 DFADRP C[C@H]1CN(CC[C@@H]2CCC[N@@H+]2C)CC[NH+](Cc2ccccc2)C1 ZINC000448552019 297342529 /nfs/dbraw/zinc/34/25/29/297342529.db2.gz JCOKINCLDFJOIS-ICSRJNTNSA-N 2 0 315.505 2.925 20 0 DFADRP CC[C@H]1CCC[C@H]1C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C ZINC000448972702 297384829 /nfs/dbraw/zinc/38/48/29/297384829.db2.gz UZXDVGGHBJGOJE-DLBZAZTESA-N 2 0 311.514 2.545 20 0 DFADRP CCOC(=O)c1cc(CNCCC[N@@H+]2CCCC[C@@H]2C)[nH]c1C ZINC000449062523 297399132 /nfs/dbraw/zinc/39/91/32/297399132.db2.gz LYWVDUGVCQYPHP-AWEZNQCLSA-N 2 0 321.465 2.854 20 0 DFADRP C[NH2+][C@@H](CC(C)(C)C)C(=O)NC[C@H](c1ccc(C)cc1)[NH+](C)C ZINC000449105038 297406442 /nfs/dbraw/zinc/40/64/42/297406442.db2.gz BVLHHYXXUHUVTM-DLBZAZTESA-N 2 0 319.493 2.738 20 0 DFADRP C[C@H](Cc1ccoc1)[NH2+]CCc1ccc(OCC[NH+](C)C)cc1 ZINC000449130216 297410045 /nfs/dbraw/zinc/41/00/45/297410045.db2.gz YAFHLHYHILMVGE-MRXNPFEDSA-N 2 0 316.445 2.983 20 0 DFADRP CC(=O)N1CC[C@H]([NH2+]C2CC[NH+](C(C)(C)CC(C)(C)C)CC2)C1 ZINC000449189908 297420252 /nfs/dbraw/zinc/42/02/52/297420252.db2.gz VPGQXGKZHLMQIL-KRWDZBQOSA-N 2 0 323.525 2.876 20 0 DFADRP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+]C(C)(C)CCC[NH+](C)C ZINC000449527814 297487014 /nfs/dbraw/zinc/48/70/14/297487014.db2.gz LDQKOKJKXXOVQU-UHFFFAOYSA-N 3 0 315.465 2.786 20 0 DFADRP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+][C@@H]2CCC[C@@H]2CO)CC1 ZINC000449714127 297518314 /nfs/dbraw/zinc/51/83/14/297518314.db2.gz ZPLUPTMFYXJHCK-YVWKXTFCSA-N 2 0 316.489 2.833 20 0 DFADRP CO[C@@H]1C[C@H]([NH2+]Cc2ccc(OCC[NH+](C)C)cc2)C12CCC2 ZINC000453068782 298059075 /nfs/dbraw/zinc/05/90/75/298059075.db2.gz SRMFMNVXAHCEHI-ZWKOTPCHSA-N 2 0 318.461 2.674 20 0 DFADRP C[C@@H]([NH2+]Cc1ccc(OCCC[NH+](C)C)cc1)c1ccncn1 ZINC000453112035 298062824 /nfs/dbraw/zinc/06/28/24/298062824.db2.gz SLRBWNOZDFXTCW-OAHLLOKOSA-N 2 0 314.433 2.658 20 0 DFADRP OC[C@H]1CCC[N@@H+]1CCCC[NH2+]C1CCc2ccccc2CC1 ZINC000453122614 298064924 /nfs/dbraw/zinc/06/49/24/298064924.db2.gz YDDWYATXOJQPRI-HXUWFJFHSA-N 2 0 316.489 2.761 20 0 DFADRP CC[C@H]([NH2+]Cc1ccncc1OCC[NH+](C)C)c1ccncc1 ZINC000453212679 298071201 /nfs/dbraw/zinc/07/12/01/298071201.db2.gz CLFSVILVOSGNLG-KRWDZBQOSA-N 2 0 314.433 2.658 20 0 DFADRP c1n[nH]cc1CC[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@@H]2CCC[C@H]21 ZINC000453251847 298075564 /nfs/dbraw/zinc/07/55/64/298075564.db2.gz MCGUPHWLPKBFGT-SLFFLAALSA-N 2 0 324.472 2.985 20 0 DFADRP CC[C@@H]([NH2+][C@H](C)c1ccc(OCC[NH+](C)C)cc1)[C@@H](O)CC ZINC000453338867 298084732 /nfs/dbraw/zinc/08/47/32/298084732.db2.gz BFCUESIDVJUWKX-OLMNPRSZSA-N 2 0 308.466 2.827 20 0 DFADRP O[C@H]1C[C@@H]([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@H]3CCC[C@H]32)C1 ZINC000453356082 298086610 /nfs/dbraw/zinc/08/66/10/298086610.db2.gz HTHVCVVTQHAAJC-APAFKAMOSA-N 2 0 300.446 2.543 20 0 DFADRP O[C@@H]1CCC[C@H]1C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000453391245 298089115 /nfs/dbraw/zinc/08/91/15/298089115.db2.gz SXMZPGOSPFRUNI-UHZRXMQZSA-N 2 0 314.473 2.933 20 0 DFADRP C[N@H+](CCCC[NH2+][C@@H](c1nnc[nH]1)C1CCCCC1)C1CC1 ZINC000453397472 298090064 /nfs/dbraw/zinc/09/00/64/298090064.db2.gz JMBTTXQVQAZITN-MRXNPFEDSA-N 2 0 305.470 2.890 20 0 DFADRP C[C@H]([NH2+]C[C@H]1CC[C@@H](C)O1)c1cccc(OCC[NH+](C)C)c1 ZINC000453401423 298090678 /nfs/dbraw/zinc/09/06/78/298090678.db2.gz DQMDZKCNLLOSDO-RVKKMQEKSA-N 2 0 306.450 2.845 20 0 DFADRP C[N@H+](CCCC[NH2+]C1CCN(Cc2cccnc2)CC1)C1CC1 ZINC000453399780 298090738 /nfs/dbraw/zinc/09/07/38/298090738.db2.gz LJNQLXMJMIDZMW-UHFFFAOYSA-N 2 0 316.493 2.510 20 0 DFADRP C[C@@H]([NH2+]CCCC[N@H+](C)C1CC1)c1cccc(-n2ccnn2)c1 ZINC000453420102 298092669 /nfs/dbraw/zinc/09/26/69/298092669.db2.gz ZCSKSWDKIFETJV-OAHLLOKOSA-N 2 0 313.449 2.792 20 0 DFADRP C[C@H](C(=O)NCCCCC[NH+]1CCCC1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000357090524 298152454 /nfs/dbraw/zinc/15/24/54/298152454.db2.gz RZJNRWUWQDTQLR-IXDOHACOSA-N 2 0 309.498 2.630 20 0 DFADRP C[C@H]([NH2+][C@H]1CCC[C@H]([NH3+])C1)c1cccc(N2CCOC2=O)c1 ZINC000496284986 300040957 /nfs/dbraw/zinc/04/09/57/300040957.db2.gz QDTJAOADEAKHND-QEJZJMRPSA-N 2 0 303.406 2.564 20 0 DFADRP C[C@H](CCCC[NH3+])[NH2+][C@@H](C)c1cccc(N2CCOC2=O)c1 ZINC000496991898 300143714 /nfs/dbraw/zinc/14/37/14/300143714.db2.gz UWBGKGLFFBCDJP-KGLIPLIRSA-N 2 0 305.422 2.811 20 0 DFADRP C[C@@H](CCC[NH3+])[NH2+]C1CCN(C(=O)OCc2ccccc2)CC1 ZINC000497053338 300153299 /nfs/dbraw/zinc/15/32/99/300153299.db2.gz JMVBLKDWSMADPV-HNNXBMFYSA-N 2 0 319.449 2.505 20 0 DFADRP CC(C)[C@@H]([NH3+])C[NH2+][C@@H]1CCCN(C(=O)Oc2ccccc2)CC1 ZINC000497125245 300165479 /nfs/dbraw/zinc/16/54/79/300165479.db2.gz DUSOXMMOXZQUML-WBVHZDCISA-N 2 0 319.449 2.613 20 0 DFADRP CC[NH2+]CCC[NH2+][C@@H]1CCCN(C(=O)Oc2ccccc2)CC1 ZINC000497202013 300177567 /nfs/dbraw/zinc/17/75/67/300177567.db2.gz IPSRIKOWVZVBKU-MRXNPFEDSA-N 2 0 319.449 2.629 20 0 DFADRP CC(C)[NH+]1CCN(c2cccc(N[C@@H]3C[N@H+](C)C[C@@H]3C)c2)CC1 ZINC000503269227 300219482 /nfs/dbraw/zinc/21/94/82/300219482.db2.gz YJPXWFOTYNNHKC-QFBILLFUSA-N 2 0 316.493 2.579 20 0 DFADRP C[N@H+](CCC(=O)NCC[NH+]1CCCC1(C)C)C1CCCCC1 ZINC000514657288 300264332 /nfs/dbraw/zinc/26/43/32/300264332.db2.gz PLBDFXORUNANCF-UHFFFAOYSA-N 2 0 309.498 2.632 20 0 DFADRP c1c2ccccc2oc1CN[C@@H]1CCOC[C@H]1[C@H]1CCC[NH2+]1 ZINC000514666961 300265092 /nfs/dbraw/zinc/26/50/92/300265092.db2.gz DRZPSEKLZNBRIW-GVDBMIGSSA-N 2 0 300.402 2.680 20 0 DFADRP Cc1ccc(C[NH+]2CC[C@H](C[N@H+](C)C[C@@H]3CCOC3)C2)s1 ZINC000515018984 300284967 /nfs/dbraw/zinc/28/49/67/300284967.db2.gz NJFXXFOTQOEVGT-CVEARBPZSA-N 2 0 308.491 2.847 20 0 DFADRP CC(C)(C)[NH+]1CCC([NH2+]C[C@@H](O)Cc2ccc(F)cc2)CC1 ZINC000515054807 300287477 /nfs/dbraw/zinc/28/74/77/300287477.db2.gz NXZGEJUYVSZVNP-KRWDZBQOSA-N 2 0 308.441 2.582 20 0 DFADRP C[N@H+](CCC[NH3+])Cc1ccc(OC(F)F)c(Br)c1 ZINC000515176394 300293160 /nfs/dbraw/zinc/29/31/60/300293160.db2.gz LXTXOWMFTRPXPD-UHFFFAOYSA-N 2 0 323.181 2.831 20 0 DFADRP c1nc([C@@H]2CCCO2)sc1CN1CC[C@]2(C1)CCC[NH2+]C2 ZINC000515845838 300322626 /nfs/dbraw/zinc/32/26/26/300322626.db2.gz UVLWPGMKOVABMA-GOEBONIOSA-N 2 0 307.463 2.570 20 0 DFADRP C[C@H]([NH3+])[C@H]1COCC[C@H]1[NH2+]Cc1cccc(-c2cccnc2)c1 ZINC000516173916 300332848 /nfs/dbraw/zinc/33/28/48/300332848.db2.gz MUSKRZDQPKWMMW-GDIGMMSISA-N 2 0 311.429 2.591 20 0 DFADRP Cc1ccc(C[NH2+][C@@H]2CCC[C@H]([NH3+])C2)c(OC[C@H]2CCOC2)c1 ZINC000517041744 300380668 /nfs/dbraw/zinc/38/06/68/300380668.db2.gz YSSIKYOIEHPZEY-RYQLBKOJSA-N 2 0 318.461 2.770 20 0 DFADRP CC[NH+]1CCN([C@H]2CC[N@H+](C[C@H](C)C3CCCCC3)C2)CC1 ZINC000517223806 300387966 /nfs/dbraw/zinc/38/79/66/300387966.db2.gz QXDICNBKBUECGO-HKUYNNGSSA-N 2 0 307.526 2.915 20 0 DFADRP OC1(C[NH2+][C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)CCCCC1 ZINC000517553752 300399199 /nfs/dbraw/zinc/39/91/99/300399199.db2.gz RLCSSWNNMVAFNW-LPHOPBHVSA-N 2 0 316.445 2.527 20 0 DFADRP C[C@@H](CC(=O)Nc1ccc(F)cc1)[NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000519749576 300474054 /nfs/dbraw/zinc/47/40/54/300474054.db2.gz KLUZTUBKQSFWRI-AFAVFJNCSA-N 2 0 319.424 2.521 20 0 DFADRP O=C(NC[C@H]1CC[N@@H+]1C1CCCC1)[C@H]1CCC[NH+]1C1CCCC1 ZINC000530024875 301005982 /nfs/dbraw/zinc/00/59/82/301005982.db2.gz YBBUOLKQMGCWRY-QZTJIDSGSA-N 2 0 319.493 2.527 20 0 DFADRP C[C@H]([NH2+]CCc1cccc2c1OC(F)(F)O2)[C@H]1CCC[NH2+]C1 ZINC000530215271 301029896 /nfs/dbraw/zinc/02/98/96/301029896.db2.gz GGRAPGGTKLLZLN-AAEUAGOBSA-N 2 0 312.360 2.528 20 0 DFADRP CO[C@H](C[NH+]1CCC([C@H]2CC[NH2+]C2)CC1)c1ccc(F)cc1 ZINC000530218381 301030594 /nfs/dbraw/zinc/03/05/94/301030594.db2.gz FSUCFHGFFXTSDK-FUHWJXTLSA-N 2 0 306.425 2.835 20 0 DFADRP CC[N@H+](C[C@H](Cc1ccc(F)cc1)OC)[C@H]1CCC[NH2+]CC1 ZINC000530219448 301031020 /nfs/dbraw/zinc/03/10/20/301031020.db2.gz PPILBSZHYLSLSV-ROUUACIJSA-N 2 0 308.441 2.847 20 0 DFADRP FC(F)(F)c1ncccc1C[N@@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000530219689 301031101 /nfs/dbraw/zinc/03/11/01/301031101.db2.gz HXFIKFUHGUZQFZ-CHWSQXEVSA-N 2 0 313.367 2.922 20 0 DFADRP C[NH+](C)C[C@@H](NC1CC[NH2+]CC1)c1ccc(Cl)c(Cl)c1 ZINC000530224074 301031437 /nfs/dbraw/zinc/03/14/37/301031437.db2.gz KVFOGMCLQIYBTB-OAHLLOKOSA-N 2 0 316.276 2.938 20 0 DFADRP C[C@@H](C[C@@H]1CCCCC[NH2+]1)Nc1ccc2c(c1)OCC[NH2+]C2 ZINC000530247485 301033665 /nfs/dbraw/zinc/03/36/65/301033665.db2.gz UVVZXITZJFBTAQ-HOCLYGCPSA-N 2 0 303.450 2.891 20 0 DFADRP C[C@H]1C[C@H](C[NH+]2CCN(c3cccc4[nH]ccc43)CC2)CC[NH2+]1 ZINC000530247395 301033690 /nfs/dbraw/zinc/03/36/90/301033690.db2.gz RNXYSFMFNQDBLC-JKSUJKDBSA-N 2 0 312.461 2.678 20 0 DFADRP Cc1ccc(F)c(C[NH+]2CCC(CO[C@H]3CC[NH2+]C3)CC2)c1 ZINC000530248340 301033807 /nfs/dbraw/zinc/03/38/07/301033807.db2.gz JGNTUYUSAVUVSD-KRWDZBQOSA-N 2 0 306.425 2.725 20 0 DFADRP C([C@@H]1CCC2(CCCC2)O1)[NH+]1CCC(C[NH+]2CCOCC2)CC1 ZINC000530419111 301047390 /nfs/dbraw/zinc/04/73/90/301047390.db2.gz UBABBFFGUPNGOJ-SFHVURJKSA-N 2 0 322.493 2.522 20 0 DFADRP C[C@@H]([NH2+]CCN1CC[C@@H](C)C1)c1ccc(OCC[NH+](C)C)cc1 ZINC000531728695 301106504 /nfs/dbraw/zinc/10/65/04/301106504.db2.gz FCYUWWZRZXLFBZ-IAGOWNOFSA-N 2 0 319.493 2.619 20 0 DFADRP C[C@H]([NH2+]CCN1CC[C@@H](C)C1)c1cccc(OCC[NH+](C)C)c1 ZINC000531728473 301106651 /nfs/dbraw/zinc/10/66/51/301106651.db2.gz XPIDXWPYACBTJL-SJORKVTESA-N 2 0 319.493 2.619 20 0 DFADRP C[C@@H](C[NH2+][C@H]1CCc2c1cccc2Cl)N1CC[NH+](C)CC1 ZINC000531959590 301121614 /nfs/dbraw/zinc/12/16/14/301121614.db2.gz OCHFJCSKOILXQS-GUYCJALGSA-N 2 0 307.869 2.553 20 0 DFADRP C[C@@H]1CC[N@H+](CCN[C@@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C)C1 ZINC000532239221 301139042 /nfs/dbraw/zinc/13/90/42/301139042.db2.gz KDTJTYWPHZOBOG-WSTZPKSXSA-N 2 0 315.505 2.828 20 0 DFADRP CCCCc1noc([C@H](C)N2CC[C@@H](c3nccn3C)C2)n1 ZINC000533865893 301214923 /nfs/dbraw/zinc/21/49/23/301214923.db2.gz GBPIVNDPXUCDND-QWHCGFSZSA-N 2 0 303.410 2.696 20 0 DFADRP CC[NH+]1CCN([C@@H]2CC[N@H+](C[C@H]3CCCC(C)(C)C3)C2)CC1 ZINC000535087305 301248474 /nfs/dbraw/zinc/24/84/74/301248474.db2.gz JMHBHSGDNBIYNT-ZWKOTPCHSA-N 2 0 307.526 2.915 20 0 DFADRP CC[C@@H](C(=O)N1CCN(Cc2ccsc2)CC1)[NH+](CC)CC ZINC000535266013 301252124 /nfs/dbraw/zinc/25/21/24/301252124.db2.gz VSUSHGIHCZPULV-INIZCTEOSA-N 2 0 323.506 2.513 20 0 DFADRP C[C@@H](CN1CC[NH+](C)CC1)[NH2+][C@@H](C)c1ccc(Cl)c(F)c1 ZINC000535777337 301260667 /nfs/dbraw/zinc/26/06/67/301260667.db2.gz AYNGOPUOIYVMCG-STQMWFEESA-N 2 0 313.848 2.766 20 0 DFADRP CCc1ccc(C[N@@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@H](C)C2)s1 ZINC000536664471 301287390 /nfs/dbraw/zinc/28/73/90/301287390.db2.gz DLTACTDNTQXYPX-CRAIPNDOSA-N 2 0 321.534 2.768 20 0 DFADRP CCc1ccc(C[N@@H+]2CC[C@H](N3CC[NH+](C(C)C)CC3)C2)s1 ZINC000537619645 301306064 /nfs/dbraw/zinc/30/60/64/301306064.db2.gz GDPGPTGMSQMZFO-INIZCTEOSA-N 2 0 321.534 2.911 20 0 DFADRP CC[N@H+](CCC1CCN(C(=O)[C@@H]2CC[NH+](C)C2)CC1)CC(C)C ZINC000540237355 301360363 /nfs/dbraw/zinc/36/03/63/301360363.db2.gz UERCYJYAWSIXSM-GOSISDBHSA-N 2 0 323.525 2.545 20 0 DFADRP CCc1ccc([C@H]([NH2+]C[C@H](O)C[NH+]2CCCC2)C(C)C)cc1 ZINC000540299914 301361188 /nfs/dbraw/zinc/36/11/88/301361188.db2.gz VMWCPADNXWFSGA-RBUKOAKNSA-N 2 0 304.478 2.992 20 0 DFADRP CCc1ccc([C@@H]([NH2+]C[C@@H](O)C[NH+]2CCCC2)C(C)C)cc1 ZINC000540299912 301361228 /nfs/dbraw/zinc/36/12/28/301361228.db2.gz VMWCPADNXWFSGA-MOPGFXCFSA-N 2 0 304.478 2.992 20 0 DFADRP CN1CC[NH+](CCCC[NH2+][C@@H](c2ccc(F)cc2)C2CC2)CC1 ZINC000540263804 301361243 /nfs/dbraw/zinc/36/12/43/301361243.db2.gz ZEJXQYRUMICIFV-LJQANCHMSA-N 2 0 319.468 2.894 20 0 DFADRP COC(=O)[C@@H](C1CC1)[NH+]1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000541057458 301381989 /nfs/dbraw/zinc/38/19/89/301381989.db2.gz LTJUQQOFPPWRRE-CRAIPNDOSA-N 2 0 322.493 2.915 20 0 DFADRP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+]CC[C@H]1CCO[C@H](C)C1 ZINC000541370260 301385219 /nfs/dbraw/zinc/38/52/19/301385219.db2.gz ZTNISYYDVKOQCP-ZBFHGGJFSA-N 2 0 314.433 2.871 20 0 DFADRP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+](C)CCc1ccccc1O ZINC000541551225 301389439 /nfs/dbraw/zinc/38/94/39/301389439.db2.gz GQKKZSMIWXKDSH-UHFFFAOYSA-N 2 0 322.412 2.956 20 0 DFADRP C[C@H]1CCC[C@H](C)[NH+]1CCNC(=O)Nc1ccc2c(c1)C[NH2+]C2 ZINC000561060903 301920819 /nfs/dbraw/zinc/92/08/19/301920819.db2.gz SOTZYVAWLZUGSQ-KBPBESRZSA-N 2 0 316.449 2.674 20 0 DFADRP C[C@@H]1C[C@H](C)N(Cc2cnc([C@@H]3CCCO3)s2)C[C@H]1C[NH3+] ZINC000562955471 302017350 /nfs/dbraw/zinc/01/73/50/302017350.db2.gz YWEIYDIEUJCHKP-COMQUAJESA-N 2 0 309.479 2.800 20 0 DFADRP CC(C)NC(=O)Nc1ccc([C@@H](C)[NH2+]CC2CC[NH2+]CC2)cc1 ZINC000562956357 302017696 /nfs/dbraw/zinc/01/76/96/302017696.db2.gz PXTRCBFTAUJDDR-CQSZACIVSA-N 2 0 318.465 2.867 20 0 DFADRP C[C@@H]1C[C@@H]([NH2+][C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)C[C@H](C)O1 ZINC000562959440 302017902 /nfs/dbraw/zinc/01/79/02/302017902.db2.gz OBSCRIAHBLNPLW-VLKZTRAZSA-N 2 0 316.445 2.788 20 0 DFADRP C[C@@H]1C[C@@H]([NH2+][C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)C[C@H](C)O1 ZINC000562959438 302018041 /nfs/dbraw/zinc/01/80/41/302018041.db2.gz OBSCRIAHBLNPLW-MOXHTAKSSA-N 2 0 316.445 2.788 20 0 DFADRP C[C@@H](CCN[C@@H](C)[C@@H]1CCC[NH2+]C1)[N@H+](C)Cc1ccccc1 ZINC000562958378 302018194 /nfs/dbraw/zinc/01/81/94/302018194.db2.gz CLPGEAWWINBIDX-JENIJYKNSA-N 3 0 303.494 2.875 20 0 DFADRP CC(=O)N1CC[C@H]([NH2+][C@H]2CCCC[C@@H]2C[NH3+])c2ccccc21 ZINC000562960385 302018759 /nfs/dbraw/zinc/01/87/59/302018759.db2.gz OALLJGZKZPLFTK-PVAVHDDUSA-N 2 0 301.434 2.591 20 0 DFADRP [NH3+][C@@H]1CCC[C@H]([NH2+][C@@H]2CCCN(c3ccccc3Cl)C2=O)C1 ZINC000563423732 302071317 /nfs/dbraw/zinc/07/13/17/302071317.db2.gz IWTIPSSLBFVCJP-VNHYZAJKSA-N 2 0 321.852 2.695 20 0 DFADRP Cc1ccc(C[NH+]2CC[C@@H](C[N@H+](C)CCC(C)(C)O)C2)s1 ZINC000563889086 302106445 /nfs/dbraw/zinc/10/64/45/302106445.db2.gz GEAWEIOJTKCNCD-HNNXBMFYSA-N 2 0 310.507 2.971 20 0 DFADRP C[NH+](C)CCN(CC[NH+](C)C)Cc1ccccc1C(F)(F)F ZINC000564315412 302127876 /nfs/dbraw/zinc/12/78/76/302127876.db2.gz QIIIXPOGHSGQSW-UHFFFAOYSA-N 2 0 317.399 2.631 20 0 DFADRP C[C@@H](CCc1n[nH]c2ccccc21)[NH2+][C@H]1CCc2nc[nH]c2C1 ZINC000564615982 302144446 /nfs/dbraw/zinc/14/44/46/302144446.db2.gz MMIBTWWWOGZXLW-STQMWFEESA-N 2 0 309.417 2.754 20 0 DFADRP C[C@H]([NH2+]CCN1CCc2c(Cl)cccc2C1)[C@H]1CCC[NH2+]C1 ZINC000564826092 302161728 /nfs/dbraw/zinc/16/17/28/302161728.db2.gz AZNIDCAQGFTLLG-GJZGRUSLSA-N 2 0 321.896 2.676 20 0 DFADRP CC(C)[N@@H+]1CCC[C@H](C[NH2+]C[C@@H](O)CCc2ccccc2)C1 ZINC000564846886 302163836 /nfs/dbraw/zinc/16/38/36/302163836.db2.gz UUOSPROQJAUFQH-MOPGFXCFSA-N 2 0 304.478 2.690 20 0 DFADRP CC(C)[N@@H+]1CCC[C@H](C[NH2+]C[C@H](O)CCc2ccccc2)C1 ZINC000564846889 302163863 /nfs/dbraw/zinc/16/38/63/302163863.db2.gz UUOSPROQJAUFQH-RTBURBONSA-N 2 0 304.478 2.690 20 0 DFADRP CC(C)CC[NH+]1CCC(C[NH2+]C[C@@H](O)CC(F)(F)F)CC1 ZINC000564849753 302164070 /nfs/dbraw/zinc/16/40/70/302164070.db2.gz NBQQSLJKGBCNFZ-AWEZNQCLSA-N 2 0 310.404 2.647 20 0 DFADRP CC(C)CC[NH+]1CCC(C[NH2+]C[C@H](O)CC(F)(F)F)CC1 ZINC000564849754 302164085 /nfs/dbraw/zinc/16/40/85/302164085.db2.gz NBQQSLJKGBCNFZ-CQSZACIVSA-N 2 0 310.404 2.647 20 0 DFADRP C[C@H](CC[NH+](C)C)[NH2+]C[C@H](O)COc1ccc(C(C)(C)C)cc1 ZINC000564857068 302165105 /nfs/dbraw/zinc/16/51/05/302165105.db2.gz QLIPGLQVZXYSJR-WBVHZDCISA-N 2 0 322.493 2.654 20 0 DFADRP CC(C)(C[NH2+][C@@H]1CCC[C@H]([NH3+])C1)N1CCc2ccccc2C1 ZINC000565224879 302209791 /nfs/dbraw/zinc/20/97/91/302209791.db2.gz AHJSBTAYKUZDTR-ZWKOTPCHSA-N 2 0 301.478 2.683 20 0 DFADRP [NH3+][C@@H]1CCC[C@@H]([NH2+]CCCc2nc(-c3ccncc3)cs2)C1 ZINC000565226736 302210125 /nfs/dbraw/zinc/21/01/25/302210125.db2.gz MQXYWBDYDMGAJO-HUUCEWRRSA-N 2 0 316.474 2.997 20 0 DFADRP COc1ccc([C@H](CN[C@@H]2CCC[C@H]([NH3+])C2)[NH+]2CCCC2)cc1 ZINC000565225299 302210138 /nfs/dbraw/zinc/21/01/38/302210138.db2.gz CGPZHGHBGNUYID-SCTDSRPQSA-N 2 0 317.477 2.692 20 0 DFADRP CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)CC[C@@H]([NH3+])c1ccccc1 ZINC000565299498 302216339 /nfs/dbraw/zinc/21/63/39/302216339.db2.gz VKEMDBLJUWAKMD-QZTJIDSGSA-N 2 0 317.477 2.703 20 0 DFADRP C[C@@H]1CCC[N@H+](Cc2ccc(NC(=O)[C@@]3(C)CCC[NH2+]3)cc2)C1 ZINC000565424130 302224488 /nfs/dbraw/zinc/22/44/88/302224488.db2.gz YXGWRJBXBZTCJL-DNVCBOLYSA-N 2 0 315.461 2.999 20 0 DFADRP COc1c(C)cc(C[N@H+](C)CCCN(C)CC[NH+](C)C)cc1C ZINC000565567901 302230045 /nfs/dbraw/zinc/23/00/45/302230045.db2.gz URRIIMWSXWEROH-UHFFFAOYSA-N 2 0 321.509 2.627 20 0 DFADRP [NH3+]CC[C@H]1CCCN(Cc2nc3cc(Cl)ccc3c(=O)[nH]2)C1 ZINC000565659258 302236064 /nfs/dbraw/zinc/23/60/64/302236064.db2.gz WXLUHHJIQHBTGO-LLVKDONJSA-N 2 0 320.824 2.550 20 0 DFADRP CCO[C@@H]1C[C@@H]([NH2+]CC2([NH3+])CCCCCC2)C12CCOCC2 ZINC000565827638 302243856 /nfs/dbraw/zinc/24/38/56/302243856.db2.gz QZQCYTAFOUCEOT-HZPDHXFCSA-N 2 0 310.482 2.602 20 0 DFADRP CC(C)C[N@@H+]1CC[C@H](C[NH2+]C[C@H](O)[C@@H](C)c2ccccc2)C1 ZINC000565887589 302246785 /nfs/dbraw/zinc/24/67/85/302246785.db2.gz WQCZLTBAUMROQB-SCTDSRPQSA-N 2 0 304.478 2.719 20 0 DFADRP C[C@H](NC[C@H]1CCC[N@@H+]1Cc1ccccc1)[C@H]1CCC[NH2+]C1 ZINC000566089173 302258609 /nfs/dbraw/zinc/25/86/09/302258609.db2.gz APELTVJLGHGUEH-YTQUADARSA-N 2 0 301.478 2.629 20 0 DFADRP COc1cncc(/C=C/CC[NH+]2CCC(C[NH+](C)C)CC2)c1 ZINC000566168287 302265151 /nfs/dbraw/zinc/26/51/51/302265151.db2.gz YLNDPQISWSQOAO-GQCTYLIASA-N 2 0 303.450 2.767 20 0 DFADRP C[C@@H]1CCCC[N@@H+]1CCC1CCN(C(=O)CC2(C[NH3+])CC2)CC1 ZINC000566293882 302275996 /nfs/dbraw/zinc/27/59/96/302275996.db2.gz JAYOGIBAQZPHHI-MRXNPFEDSA-N 2 0 321.509 2.619 20 0 DFADRP Cc1nc2c(n1[C@@H]1CC[N@H+](C[C@H]3CCCC[C@H]3O)C1)CCCC2 ZINC000566300326 302276646 /nfs/dbraw/zinc/27/66/46/302276646.db2.gz KEDRGWPWJWIASQ-GPMSIDNRSA-N 2 0 317.477 2.868 20 0 DFADRP Cn1cc(-c2ccc(C[NH+]3CCC(CC[NH3+])CC3)s2)cn1 ZINC000567276826 302346922 /nfs/dbraw/zinc/34/69/22/302346922.db2.gz XNJGCUIFAOVQFJ-UHFFFAOYSA-N 2 0 304.463 2.709 20 0 DFADRP CC(C)NC(=O)[C@@H]1CCC[C@H]([NH2+][C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)C1 ZINC000567641480 302375786 /nfs/dbraw/zinc/37/57/86/302375786.db2.gz BKHNWDRXGZTCGL-CWQOZTLDSA-N 2 0 321.509 2.580 20 0 DFADRP CC(C)C[C@@H]1OCCC[C@H]1[NH2+]Cc1cc(C2CC[NH2+]CC2)no1 ZINC000567663280 302377176 /nfs/dbraw/zinc/37/71/76/302377176.db2.gz PXHYXKVDUOCXCU-AEFFLSMTSA-N 2 0 321.465 2.825 20 0 DFADRP [NH3+][C@@H]1CCCCC[C@@H]1NC[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC000569110872 302499890 /nfs/dbraw/zinc/49/98/90/302499890.db2.gz SKCXHIGVDHRHIW-AITUJVMLSA-N 2 0 319.468 2.768 20 0 DFADRP O[C@@H](C[NH2+]CC1CC[NH+](C2CC2)CC1)Cc1cccc(Cl)c1 ZINC000570081979 302555172 /nfs/dbraw/zinc/55/51/72/302555172.db2.gz BMABXOXHJDAXFX-GOSISDBHSA-N 2 0 322.880 2.707 20 0 DFADRP C[NH+]1CCC(CC[NH2+]C[C@@H](O)Cc2cccc(Cl)c2)CC1 ZINC000572511680 302667164 /nfs/dbraw/zinc/66/71/64/302667164.db2.gz MESZMQGTUIEAQB-KRWDZBQOSA-N 2 0 310.869 2.565 20 0 DFADRP CCOc1cc2c(cc1C[NH2+][C@@H]1CCC[C@H]([NH3+])C1)O[C@@H](C)C2 ZINC000573071977 302689394 /nfs/dbraw/zinc/68/93/94/302689394.db2.gz YJOSRMPVSDOLEA-VBNZEHGJSA-N 2 0 304.434 2.768 20 0 DFADRP c1ccc2c(c1)C[C@H]2C[NH+]1CCC(OCC[NH+]2CCCC2)CC1 ZINC000287739351 304857982 /nfs/dbraw/zinc/85/79/82/304857982.db2.gz KZUQQVLFDTTZIW-SFHVURJKSA-N 2 0 314.473 2.903 20 0 DFADRP CCCC[NH+]1CCC([NH2+]C2CCN(CC(F)F)CC2)CC1 ZINC000164473545 315884621 /nfs/dbraw/zinc/88/46/21/315884621.db2.gz MCMCLMIOOIDTHQ-UHFFFAOYSA-N 2 0 303.441 2.570 20 0 DFADRP C[C@@H]([NH2+]CC1CC[NH+](C)CC1)c1ncc(Br)s1 ZINC000179225730 316003443 /nfs/dbraw/zinc/00/34/43/316003443.db2.gz KZLYIJAAAKYOHP-SECBINFHSA-N 2 0 318.284 2.898 20 0 DFADRP CCO[C@H]1C[C@H]([NH2+]Cc2cccc(OCC[NH+](C)C)c2)C1(C)C ZINC000181524610 316062141 /nfs/dbraw/zinc/06/21/41/316062141.db2.gz DBIAPMIQHYBKBO-ROUUACIJSA-N 2 0 320.477 2.920 20 0 DFADRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@H]1C[C@@H](OCC)C12CCCC2 ZINC000181875401 316076915 /nfs/dbraw/zinc/07/69/15/316076915.db2.gz LEURMSKCSJIKKW-IXDOHACOSA-N 2 0 312.498 2.671 20 0 DFADRP CC[NH+]1CCN([C@@H](C)C[NH2+][C@@H](C)c2cccc(F)c2F)CC1 ZINC000183223266 316134408 /nfs/dbraw/zinc/13/44/08/316134408.db2.gz FYICFQPQNILLRS-KBPBESRZSA-N 2 0 311.420 2.641 20 0 DFADRP CCCC[N@H+](C)CC1CC[NH+](CCO[C@H]2CCCCO2)CC1 ZINC000185193356 316182185 /nfs/dbraw/zinc/18/21/85/316182185.db2.gz MZLALYSFGVPXHO-SFHVURJKSA-N 2 0 312.498 2.974 20 0 DFADRP CCOC(=O)CCCC[NH2+][C@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185710022 316190992 /nfs/dbraw/zinc/19/09/92/316190992.db2.gz SMIHGHZGYSKGHJ-CVEARBPZSA-N 2 0 310.482 2.962 20 0 DFADRP C[N@H+](Cc1ccccc1)[C@H](CNc1cc[nH+]cc1C(N)=O)C1CC1 ZINC000186416306 316200511 /nfs/dbraw/zinc/20/05/11/316200511.db2.gz IVFCBXBXTXBXMB-GOSISDBHSA-N 2 0 324.428 2.503 20 0 DFADRP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@H]1CC[C@@H](c2ccccc2)C1 ZINC000275466162 316232414 /nfs/dbraw/zinc/23/24/14/316232414.db2.gz IILIHDBVYOFJGK-QRQLOZEOSA-N 2 0 301.478 2.548 20 0 DFADRP C[C@@H]1C[C@@H](N[C@H]2CC[NH+](C)C[C@H]2C)C[N@@H+]1Cc1ccccc1 ZINC000336716896 316299518 /nfs/dbraw/zinc/29/95/18/316299518.db2.gz QATZONVTLWUPIX-RWQQGDIJSA-N 2 0 301.478 2.579 20 0 DFADRP c1ccc(CC[NH+]2CCC(C[NH2+]CC3=CCCOC3)CC2)cc1 ZINC000359878984 316566605 /nfs/dbraw/zinc/56/66/05/316566605.db2.gz YMOQNIGNXTVYTQ-UHFFFAOYSA-N 2 0 314.473 2.877 20 0 DFADRP CCc1ccc(CN2CC[NH+](C[C@@H]3CC[NH2+][C@H](C)C3)CC2)s1 ZINC000414703164 316637028 /nfs/dbraw/zinc/63/70/28/316637028.db2.gz XWHRGGGNKCJXSB-HZPDHXFCSA-N 2 0 321.534 2.816 20 0 DFADRP C[C@@H]1C[C@@H]([NH2+]CCCN2CC[NH2+]CC2)C[C@H](c2ccccc2)C1 ZINC000414775854 316650848 /nfs/dbraw/zinc/65/08/48/316650848.db2.gz DNIBZXICMUQWER-DFQSSKMNSA-N 2 0 315.505 2.844 20 0 DFADRP COc1ccc(C[NH2+][C@@H]2CCCC[C@@H]2C[NH3+])c(Cl)c1OC ZINC000414792010 316659168 /nfs/dbraw/zinc/65/91/68/316659168.db2.gz BUEVUAOWEIXNEO-DGCLKSJQSA-N 2 0 312.841 2.964 20 0 DFADRP [NH3+][C@H]1CCCCCC[C@H]1C(=O)NC1CC[NH+](C2CCCC2)CC1 ZINC000430754086 316854091 /nfs/dbraw/zinc/85/40/91/316854091.db2.gz LHUYIXRWXWZUTG-MSOLQXFVSA-N 2 0 321.509 2.807 20 0 DFADRP C[C@@H]1CCC[C@@H](CCNC(=O)CCC[NH+]2CCC([NH3+])CC2)C1 ZINC000433133575 316879382 /nfs/dbraw/zinc/87/93/82/316879382.db2.gz ZFZBVTFSGIUXPN-CVEARBPZSA-N 2 0 309.498 2.522 20 0 DFADRP O[C@H]1CCC[C@@H]1[NH+]1CCC([NH2+]C2CCC(C(F)F)CC2)CC1 ZINC000442825741 316945164 /nfs/dbraw/zinc/94/51/64/316945164.db2.gz LWVYKHWLSROOLE-BGHVQYPCSA-N 2 0 316.436 2.778 20 0 DFADRP CC[N@H+](CCNC(=O)Nc1ccccc1CC[NH+](C)C)C(C)C ZINC000446570111 317016645 /nfs/dbraw/zinc/01/66/45/317016645.db2.gz WLZCQJXGAKJTKX-UHFFFAOYSA-N 2 0 320.481 2.643 20 0 DFADRP CC[NH+](CC)[C@H](C(=O)NC[C@@H]1CCC[C@H]([NH3+])C1)c1ccccc1 ZINC000449643193 317046589 /nfs/dbraw/zinc/04/65/89/317046589.db2.gz HROZYSQAHCMUBY-NJAFHUGGSA-N 2 0 317.477 2.703 20 0 DFADRP CCc1cc(N2CCC[N@@H+](Cc3cnn(CC)c3)CC2)cc[nH+]1 ZINC000450322235 317083123 /nfs/dbraw/zinc/08/31/23/317083123.db2.gz XYRMJXCNASAFLD-UHFFFAOYSA-N 2 0 313.449 2.573 20 0 DFADRP C[C@H](c1ccccc1)[C@H](O)C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000450497107 317098420 /nfs/dbraw/zinc/09/84/20/317098420.db2.gz CDCTWYTYCUUSFJ-OQIJWPOYSA-N 2 0 302.462 2.567 20 0 DFADRP CC[N@H+](C)CCN[C@@H]1CC[NH+](Cc2ccccc2)[C@@H]2CCC[C@H]21 ZINC000453081187 317160623 /nfs/dbraw/zinc/16/06/23/317160623.db2.gz PKKJOVCVBUJUOF-XUVXKRRUSA-N 2 0 315.505 2.971 20 0 DFADRP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@@H]1CC[C@@H](C)c2ccsc21 ZINC000453100660 317162148 /nfs/dbraw/zinc/16/21/48/317162148.db2.gz MPHLGWUMNHGYQW-IIAWOOMASA-N 2 0 307.507 2.912 20 0 DFADRP C[C@H](NC[C@@H]1CC[N@H+](CCc2ccccc2)C1)c1ccncn1 ZINC000453103446 317162905 /nfs/dbraw/zinc/16/29/05/317162905.db2.gz CHLQDLRHUUSPDZ-WMZOPIPTSA-N 2 0 310.445 2.692 20 0 DFADRP Cc1cc([C@H](C)[NH2+]CC2CC[NH+](CCN(C)C)CC2)cs1 ZINC000453102769 317163005 /nfs/dbraw/zinc/16/30/05/317163005.db2.gz BHIISTCQXSUOHS-HNNXBMFYSA-N 2 0 309.523 2.981 20 0 DFADRP C[NH+](C)C1CCN(CC[NH2+]C2CCc3ccccc3CC2)CC1 ZINC000453128574 317164081 /nfs/dbraw/zinc/16/40/81/317164081.db2.gz JLTMOYAJPWRAPU-UHFFFAOYSA-N 2 0 315.505 2.550 20 0 DFADRP CC1CC[NH+](C2CCC([NH2+][C@@H]3CCn4ccnc43)CC2)CC1 ZINC000453167033 317167948 /nfs/dbraw/zinc/16/79/48/317167948.db2.gz IMADQXULXVWHBQ-OFLPRAFFSA-N 2 0 302.466 2.961 20 0 DFADRP Cc1ccc(C[C@@H](CO)[NH2+]C2CC[NH+](C(C)C)CC2)cc1C ZINC000453450435 317184605 /nfs/dbraw/zinc/18/46/05/317184605.db2.gz QXHYLVYQBSABLP-IBGZPJMESA-N 2 0 304.478 2.669 20 0 DFADRP CC(C)[C@@H](C(=O)NC1CC[NH+](C2CCC2)CC1)[NH+]1CCCCC1 ZINC000456679436 317242935 /nfs/dbraw/zinc/24/29/35/317242935.db2.gz AFJKSNLLURNLET-SFHVURJKSA-N 2 0 321.509 2.630 20 0 DFADRP C[C@H]([NH2+]Cc1ccccc1C[N@@H+]1CC[C@H](O)C1)[C@@H]1CC1(C)C ZINC000487556796 317347305 /nfs/dbraw/zinc/34/73/05/317347305.db2.gz IPPSDIFOWBKYGJ-WBAXXEDZSA-N 2 0 302.462 2.777 20 0 DFADRP CCC[C@@H](C(=O)NC[C@H]1CCC[N@@H+]1CC1CCCCC1)[NH+](C)C ZINC000488240228 317378411 /nfs/dbraw/zinc/37/84/11/317378411.db2.gz SCFBMPVNFPJMAC-MSOLQXFVSA-N 2 0 323.525 2.878 20 0 DFADRP COCCC[NH+]1CCC([NH2+][C@@H]2CS[C@@H](C(C)(C)C)C2)CC1 ZINC000488440754 317393047 /nfs/dbraw/zinc/39/30/47/317393047.db2.gz QGMQPHNUQSDDPW-JKSUJKDBSA-N 2 0 314.539 2.997 20 0 DFADRP CC[NH+]1CCN(c2ccc(C[NH2+]C3CC(C(C)C)C3)cn2)CC1 ZINC000488457725 317395159 /nfs/dbraw/zinc/39/51/59/317395159.db2.gz MDINBCCLQNPSNG-UHFFFAOYSA-N 2 0 316.493 2.748 20 0 DFADRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@H]1CS[C@@H](C(C)(C)C)C1 ZINC000488520951 317399974 /nfs/dbraw/zinc/39/99/74/317399974.db2.gz RPRBBJSLRUPNGP-RBSFLKMASA-N 2 0 302.528 2.853 20 0 DFADRP Cc1ccc(F)cc1C[NH+]1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000530240472 317777962 /nfs/dbraw/zinc/77/79/62/317777962.db2.gz LTWRJFCTZLDMLT-SFHVURJKSA-N 2 0 306.425 2.725 20 0 DFADRP CCc1ccccc1C[NH+]1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000530241327 317778276 /nfs/dbraw/zinc/77/82/76/317778276.db2.gz QDNSNZDEPDXBGE-IBGZPJMESA-N 2 0 302.462 2.840 20 0 DFADRP [NH3+]CCCN(c1ccccc1F)C1CC[NH+](CC2CC2)CC1 ZINC000543414335 317826666 /nfs/dbraw/zinc/82/66/66/317826666.db2.gz ZESATBWMBSCAMX-UHFFFAOYSA-N 2 0 305.441 2.855 20 0 DFADRP CC[C@H]([NH2+]Cc1cn(-c2cc[nH+]cc2)nc1C)C1CCOCC1 ZINC000543414909 317826826 /nfs/dbraw/zinc/82/68/26/317826826.db2.gz DMSSIZNQMXNVNN-SFHVURJKSA-N 2 0 314.433 2.871 20 0 DFADRP [NH3+][C@@H]1CCC[C@@H]([NH2+]CCOc2ccc(C(F)(F)F)cc2)C1 ZINC000566483869 317952221 /nfs/dbraw/zinc/95/22/21/317952221.db2.gz XNZWPWXBKUJKAA-CHWSQXEVSA-N 2 0 302.340 2.944 20 0 DFADRP C[NH2+]C[C@H](C)C(=O)NC[C@@H](CC(C)C)[NH2+][C@@H](C)c1ccccc1 ZINC000567802260 317960058 /nfs/dbraw/zinc/96/00/58/317960058.db2.gz PVGBFTUPGUCEGV-XYJFISCASA-N 2 0 319.493 2.724 20 0 DFADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC000572066947 318000390 /nfs/dbraw/zinc/00/03/90/318000390.db2.gz JJWRWQQOEVOYQB-CALCHBBNSA-N 2 0 323.525 2.593 20 0 DFADRP Cc1ccc(C[C@@H](CO)[NH2+]C2CC[NH+](CC3CC3)CC2)cc1C ZINC000573417220 318018612 /nfs/dbraw/zinc/01/86/12/318018612.db2.gz DEYLBQFNVHVXCH-FQEVSTJZSA-N 2 0 316.489 2.671 20 0 DFADRP Fc1ccc([C@H]([NH2+]CC[C@@H]2CCC[NH2+]C2)c2ncc[nH]2)cc1 ZINC000573555735 318021715 /nfs/dbraw/zinc/02/17/15/318021715.db2.gz YLQODQNCWXQVSX-BBRMVZONSA-N 2 0 302.397 2.618 20 0 DFADRP C[C@H](NC[C@H](c1ccccc1Cl)[NH+]1CCCC1)C1C[NH2+]C1 ZINC000574748891 318037662 /nfs/dbraw/zinc/03/76/62/318037662.db2.gz PWVSMDRKWYIDAA-SUMWQHHRSA-N 2 0 307.869 2.674 20 0 DFADRP CCCCNC(=O)c1ccc(C[NH2+][C@@H]2CCC[C@H]([NH3+])C2)cc1 ZINC000575002459 318056590 /nfs/dbraw/zinc/05/65/90/318056590.db2.gz LIBLQMGWGXNYHO-DLBZAZTESA-N 2 0 303.450 2.576 20 0 DFADRP CC1CCC(N(C(=O)C[NH+]2CCC(CC[NH3+])CC2)C2CC2)CC1 ZINC000575065487 318060897 /nfs/dbraw/zinc/06/08/97/318060897.db2.gz MOULDPAHTYVLER-UHFFFAOYSA-N 2 0 321.509 2.617 20 0 DFADRP Cc1c(F)cccc1NC(=O)CC[NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000575741946 318079922 /nfs/dbraw/zinc/07/99/22/318079922.db2.gz YPKSFFXZFSBDBO-AWEZNQCLSA-N 2 0 319.424 2.537 20 0 DFADRP [NH3+][C@@H]1CCC[C@@H]([NH2+]CCOc2cccc(C(F)(F)F)c2)C1 ZINC000576292758 318117052 /nfs/dbraw/zinc/11/70/52/318117052.db2.gz YPJJHTAHDYSGFW-CHWSQXEVSA-N 2 0 302.340 2.944 20 0 DFADRP OC1(C(F)(F)F)CCC([NH2+]C[C@@H]2CCCCN2C2CC2)CC1 ZINC000576427543 318125228 /nfs/dbraw/zinc/12/52/28/318125228.db2.gz FVRNCGHBVUTWBL-BLZCZZARSA-N 2 0 320.399 2.829 20 0 DFADRP CCc1cccc(C[NH2+]C2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)c1 ZINC000576522754 318131783 /nfs/dbraw/zinc/13/17/83/318131783.db2.gz FWQFOKJWDQTFNJ-MOPGFXCFSA-N 2 0 302.462 2.716 20 0 DFADRP C[C@]1(C(=O)Nc2cccc3c2CN(c2ccccn2)C3)CCC[NH2+]1 ZINC000576696409 318143638 /nfs/dbraw/zinc/14/36/38/318143638.db2.gz LWIFBZVGRJIPJJ-LJQANCHMSA-N 2 0 322.412 2.682 20 0 DFADRP C[C@@H]([NH2+]CCC(=O)Nc1cccc(Cl)c1)C1=CC[N@H+](C)CC1 ZINC000576698239 318143785 /nfs/dbraw/zinc/14/37/85/318143785.db2.gz ZPUVHIJJUAGLBU-CYBMUJFWSA-N 2 0 321.852 2.909 20 0 DFADRP COc1ccc(C[NH+]2CCC([C@H]3C[C@H]([NH3+])CCO3)CC2)c(F)c1 ZINC000576708738 318144867 /nfs/dbraw/zinc/14/48/67/318144867.db2.gz IVTNWCUCRVWNGP-CRAIPNDOSA-N 2 0 322.424 2.553 20 0 DFADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+][C@@H](c1ccccc1)c1cncnc1 ZINC000576744210 318147260 /nfs/dbraw/zinc/14/72/60/318147260.db2.gz ZWNRNKYQMWWKLK-MLECAZACSA-N 2 0 308.429 2.672 20 0 DFADRP Cc1cccc(NC(=O)C[C@@H](C)[NH2+]CC2=CC[NH2+]CC2)c1C ZINC000576861279 318155145 /nfs/dbraw/zinc/15/51/45/318155145.db2.gz RKKUXGLPUOPVDY-CQSZACIVSA-N 2 0 301.434 2.530 20 0 DFADRP OC1(C[NH2+][C@@H]2CCCC23CC3)CC[NH+](Cc2ccccc2)CC1 ZINC000577125551 318173140 /nfs/dbraw/zinc/17/31/40/318173140.db2.gz UWEOLYXEZHEEFQ-GOSISDBHSA-N 2 0 314.473 2.936 20 0 DFADRP CC[NH+]1CCC(C[NH2+]Cc2ccc(-c3cnn(C)c3)s2)CC1 ZINC000577194770 318177965 /nfs/dbraw/zinc/17/79/65/318177965.db2.gz LWMXHCDCBJABJQ-UHFFFAOYSA-N 2 0 318.490 2.970 20 0 DFADRP C[C@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)CCCC[NH+](C)C)C1 ZINC000577239754 318180653 /nfs/dbraw/zinc/18/06/53/318180653.db2.gz ZFHIUADLIMJENQ-ZWKOTPCHSA-N 2 0 323.525 2.831 20 0 DFADRP CC[N@H+](C)C[C@@H](O)CN1CCC[C@@H]1c1nc2ccccc2s1 ZINC000577343316 318185819 /nfs/dbraw/zinc/18/58/19/318185819.db2.gz LVXVYEAQEMDQTK-UKRRQHHQSA-N 2 0 319.474 2.746 20 0 DFADRP CC[NH+]1CCC(C[NH2+]CCCc2ccc3c(c2)CCO3)CC1 ZINC000577679760 318208925 /nfs/dbraw/zinc/20/89/25/318208925.db2.gz MIPPXKAHGGWYHR-UHFFFAOYSA-N 2 0 302.462 2.876 20 0 DFADRP C[NH+](C)Cc1ccccc1CNC(=O)CC[C@H]1CCCC[N@@H+]1C ZINC000577784934 318216792 /nfs/dbraw/zinc/21/67/92/318216792.db2.gz MCJAJGFRZQBCPX-GOSISDBHSA-N 2 0 317.477 2.629 20 0 DFADRP C[C@H]([NH2+][C@H]1CCN(c2c(F)cccc2F)C1)[C@H]1CCC[NH2+]C1 ZINC000577829014 318219760 /nfs/dbraw/zinc/21/97/60/318219760.db2.gz HKMFYDITCRBCIB-IHRRRGAJSA-N 2 0 309.404 2.521 20 0 DFADRP c1ccc(-c2ncc(C[NH+]3CCC4(CC[NH2+]C4)CC3)cn2)cc1 ZINC000577850055 318221381 /nfs/dbraw/zinc/22/13/81/318221381.db2.gz UZKFBRDHGYDISJ-UHFFFAOYSA-N 2 0 308.429 2.719 20 0 DFADRP [NH3+][C@@H]1CCC[C@@H]([NH2+]CCNc2ncc(Cl)cc2Cl)C1 ZINC000577887672 318224780 /nfs/dbraw/zinc/22/47/80/318224780.db2.gz ZLASPEKEQUPWKO-GHMZBOCLSA-N 2 0 303.237 2.660 20 0 DFADRP C[C@H]([NH2+]C[C@@H](O)Cc1ccc2ccccc2c1)C1=CC[N@H+](C)CC1 ZINC000577948577 318227529 /nfs/dbraw/zinc/22/75/29/318227529.db2.gz NZPFGQKFTWLOIM-KKSFZXQISA-N 2 0 324.468 2.983 20 0 DFADRP C[C@@H]([NH2+]C[C@@H](O)Cc1ccc2ccccc2c1)C1=CC[N@H+](C)CC1 ZINC000577948575 318227568 /nfs/dbraw/zinc/22/75/68/318227568.db2.gz NZPFGQKFTWLOIM-IERDGZPVSA-N 2 0 324.468 2.983 20 0 DFADRP C[C@H]([NH2+]CC1(c2ccc(F)cc2)CCOCC1)[C@@H]1CCC[NH2+]C1 ZINC000578314061 318251939 /nfs/dbraw/zinc/25/19/39/318251939.db2.gz WZNFWCGAIRTHJS-JKSUJKDBSA-N 2 0 320.452 2.852 20 0 DFADRP Cc1cccc(NC[C@@H]2CC[N@H+](C[C@@H]3CCCC[C@@H]3O)C2)n1 ZINC000578421317 318259325 /nfs/dbraw/zinc/25/93/25/318259325.db2.gz KWYQRJWUVPIEKO-ULQDDVLXSA-N 2 0 303.450 2.675 20 0 DFADRP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+][C@@H]1CCN(c2ncccc2F)C1 ZINC000578518474 318266544 /nfs/dbraw/zinc/26/65/44/318266544.db2.gz HAISIOOTMOKIAG-BZUAXINKSA-N 2 0 320.456 2.700 20 0 DFADRP C[C@H](NC(=O)CCCC[NH+](C)C)[C@@H](c1ccccc1)[NH+](C)C ZINC000578568994 318270102 /nfs/dbraw/zinc/27/01/02/318270102.db2.gz FOMKHHTYOBGXGG-YJBOKZPZSA-N 2 0 305.466 2.526 20 0 DFADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]Cc1cccc(NC(=O)C2CCC2)c1 ZINC000578756757 318283294 /nfs/dbraw/zinc/28/32/94/318283294.db2.gz LQYYZNKXSLUYTR-KDOFPFPSSA-N 2 0 315.461 2.903 20 0 DFADRP Cc1noc(C2CCC([NH2+]CC[C@@H]3CCC[N@@H+](C)C3)CC2)n1 ZINC000578858255 318290247 /nfs/dbraw/zinc/29/02/47/318290247.db2.gz OMMSACAOAHQVFJ-FHERZECASA-N 2 0 306.454 2.726 20 0 DFADRP Cc1noc(C2CCC([NH2+]CC[C@H]3CCC[N@@H+](C)C3)CC2)n1 ZINC000578858256 318290362 /nfs/dbraw/zinc/29/03/62/318290362.db2.gz OMMSACAOAHQVFJ-QQFBHYJXSA-N 2 0 306.454 2.726 20 0 DFADRP CC[NH+]1CCN(Cc2ccc(N[C@@H]3CCC[C@@H]([NH3+])C3)cc2)CC1 ZINC000579005295 318301404 /nfs/dbraw/zinc/30/14/04/318301404.db2.gz UNKBAXQVWGTJHG-IEBWSBKVSA-N 2 0 316.493 2.506 20 0 DFADRP C[C@H](CC(=O)N[C@H](C)c1cccc(-n2ccnc2)c1)n1ccnc1 ZINC000579360751 318325579 /nfs/dbraw/zinc/32/55/79/318325579.db2.gz NRLXMDYKADJJKY-HUUCEWRRSA-N 2 0 323.400 2.897 20 0 DFADRP O[C@H]1CC[N@H+](Cc2ccccc2C[NH2+][C@H]2CCCC23CC3)C1 ZINC000579733022 318351656 /nfs/dbraw/zinc/35/16/56/318351656.db2.gz HELZCHWWDZAYBD-ROUUACIJSA-N 2 0 300.446 2.676 20 0 DFADRP C[C@H](NC[C@@H]1CC[N@H+](CCc2ccccc2)C1)[C@H]1CCC[NH2+]C1 ZINC000579822500 318356327 /nfs/dbraw/zinc/35/63/27/318356327.db2.gz WOHPTWIYGBCDEL-IHPCNDPISA-N 2 0 315.505 2.529 20 0 DFADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+][C@@H]1CCN(CC(F)(F)F)C1 ZINC000580062370 318372350 /nfs/dbraw/zinc/37/23/50/318372350.db2.gz NYZKKSSKRUDYGB-HZSPNIEDSA-N 2 0 307.404 2.523 20 0 DFADRP CCC[C@@H]1CCCC[C@H]1[NH2+]CCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000580074030 318373573 /nfs/dbraw/zinc/37/35/73/318373573.db2.gz AKFOFURFTIGAJJ-BRWVUGGUSA-N 2 0 309.498 2.522 20 0 DFADRP CCc1ccccc1C[NH+]1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000188990555 323221493 /nfs/dbraw/zinc/22/14/93/323221493.db2.gz BNIKNNUWCVZNJA-FQEVSTJZSA-N 2 0 315.505 2.851 20 0 DFADRP Cc1cc(=O)[nH]c([C@@H](C)[NH+]2CCC(CCC[NH+](C)C)CC2)n1 ZINC000192714561 323246324 /nfs/dbraw/zinc/24/63/24/323246324.db2.gz YKROREHJFKQKJE-CQSZACIVSA-N 2 0 306.454 2.605 20 0 DFADRP C[C@@H]1C[C@@H](NC[C@H]2CCC[NH+](C)C2)CC[N@@H+]1Cc1ccccc1 ZINC000379631639 323289381 /nfs/dbraw/zinc/28/93/81/323289381.db2.gz RQDASHMIJYBOOV-RLLQIKCJSA-N 2 0 315.505 2.971 20 0 DFADRP C[C@@H]1C[C@H](N[C@H]2CCC[C@@H]2C[NH3+])CC[N@@H+]1Cc1ccccc1 ZINC000379630140 323289808 /nfs/dbraw/zinc/28/98/08/323289808.db2.gz KUIMBJKFCQDXDD-OWYHZJEWSA-N 2 0 301.478 2.757 20 0 DFADRP C[C@@H]1C[NH2+]CC[C@@H]1N[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000379645726 323290294 /nfs/dbraw/zinc/29/02/94/323290294.db2.gz DMEIMIRLNQZELW-JFRXWTBNSA-N 2 0 301.478 2.627 20 0 DFADRP CC[N@@H+]1CC[C@H](N[C@@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC000379654568 323290846 /nfs/dbraw/zinc/29/08/46/323290846.db2.gz IYTMZVDZFYREFH-UHOSZYNNSA-N 2 0 301.478 2.723 20 0 DFADRP C[C@H](NC[C@@H]1CCC[N@H+](C)C1)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000381753637 323295449 /nfs/dbraw/zinc/29/54/49/323295449.db2.gz CMKBTOMMRCJRCF-IHPCNDPISA-N 2 0 315.505 2.828 20 0 DFADRP C[C@H](C[NH2+][C@H]1CCC[C@@H](NC(=O)OC(C)(C)C)C1)C[NH+](C)C ZINC000381878655 323295501 /nfs/dbraw/zinc/29/55/01/323295501.db2.gz NYBGBNGDPYVCDJ-QLFBSQMISA-N 2 0 313.486 2.610 20 0 DFADRP C[C@H](NCCC[NH2+]C1CC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000382605859 323301399 /nfs/dbraw/zinc/30/13/99/323301399.db2.gz WUETYESUQZQOEB-WMZOPIPTSA-N 2 0 301.478 2.629 20 0 DFADRP C[C@@H]1CN(Cc2ccccc2)CC[N@@H+]1CC[C@H]1CCC[NH2+]C1 ZINC000382767251 323302518 /nfs/dbraw/zinc/30/25/18/323302518.db2.gz WUAKCCQSVFFONR-QZTJIDSGSA-N 2 0 301.478 2.582 20 0 DFADRP CC[NH+](CC)Cc1cccc(NC(=O)[C@H]2CCC[NH2+][C@@H]2C)c1 ZINC000384490362 323307205 /nfs/dbraw/zinc/30/72/05/323307205.db2.gz SVJHSAIYYWNUNX-PBHICJAKSA-N 2 0 303.450 2.855 20 0 DFADRP CC(C)C[C@@H](CN(C)C)[NH2+]C1CCC(O)(C(F)(F)F)CC1 ZINC000396320633 323352466 /nfs/dbraw/zinc/35/24/66/323352466.db2.gz ISWZTSPQGVMFAM-MOKVOYLWSA-N 2 0 310.404 2.788 20 0 DFADRP Cc1noc(C[C@H]([NH2+][C@@H]2CCC[C@H]([NH3+])C2)c2ccccc2)n1 ZINC000580450289 323388045 /nfs/dbraw/zinc/38/80/45/323388045.db2.gz HGLXMHJLOTUCQK-XHSDSOJGSA-N 2 0 300.406 2.521 20 0 DFADRP C[C@H]([NH3+])C[C@H](C)[NH2+]CCNc1ncc(C(F)(F)F)cc1Cl ZINC000580639756 323414711 /nfs/dbraw/zinc/41/47/11/323414711.db2.gz NGONETPVCSUQMC-IUCAKERBSA-N 2 0 324.778 2.881 20 0 DFADRP Cc1ccc([C@@H](CCn2cncn2)[NH2+]CCC[NH2+]C(C)C)cc1 ZINC000580639959 323414743 /nfs/dbraw/zinc/41/47/43/323414743.db2.gz XZDATRGQYBFJSA-GOSISDBHSA-N 2 0 315.465 2.696 20 0 DFADRP [NH3+][C@H]1CCC[C@H](C[NH2+]Cc2ccc(Oc3cnccn3)cc2)C1 ZINC000581931232 323591001 /nfs/dbraw/zinc/59/10/01/323591001.db2.gz AHDCXMWTXJQWGX-HOTGVXAUSA-N 2 0 312.417 2.876 20 0 DFADRP C[NH+](C)[C@@H](CNC(=O)[C@H]1CCCCC[NH2+]1)c1ccc(Cl)cc1 ZINC000582184147 323629517 /nfs/dbraw/zinc/62/95/17/323629517.db2.gz OABDUTZTPCLBAT-CVEARBPZSA-N 2 0 323.868 2.591 20 0 DFADRP C[C@@H](C(=O)Nc1cccc2c1CC[NH2+]C2)[C@H]([NH3+])c1ccccc1 ZINC000582476405 323678641 /nfs/dbraw/zinc/67/86/41/323678641.db2.gz VFAGDRQIKQHYKX-ACJLOTCBSA-N 2 0 309.413 2.607 20 0 DFADRP COc1ccccc1OCC[NH2+][C@@H](C)C[C@@H]1CCCCC[NH2+]1 ZINC000582480685 323679434 /nfs/dbraw/zinc/67/94/34/323679434.db2.gz NVCLNGLBZXVOJC-HOTGVXAUSA-N 2 0 306.450 2.974 20 0 DFADRP CC(C)[NH+](CCCNC(=O)C[C@@H]([NH3+])c1ccccc1)C(C)C ZINC000583750690 323907576 /nfs/dbraw/zinc/90/75/76/323907576.db2.gz GFGMPEJIYMTLLP-QGZVFWFLSA-N 2 0 305.466 2.702 20 0 DFADRP O=C([C@H]1CCCCC[NH2+]1)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000584114323 331832867 /nfs/dbraw/zinc/83/28/67/331832867.db2.gz YJBSFWKRCBJGIN-GOSISDBHSA-N 2 0 321.509 2.633 20 0 DFADRP C[C@H](O)[C@H](C)[NH2+]CC1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000584286793 332213722 /nfs/dbraw/zinc/21/37/22/332213722.db2.gz IAHDGAMUCICTCG-KBPBESRZSA-N 2 0 310.869 2.911 20 0 DFADRP C[C@@H]([NH2+]CCC1=CC[NH2+]CC1)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000584345399 335649902 /nfs/dbraw/zinc/64/99/02/335649902.db2.gz VDCMMVBWWCRIOF-CYBMUJFWSA-N 2 0 313.445 2.877 20 0 DFADRP C[C@H](Cc1ccc(C(F)(F)F)cc1)[NH2+]CCOCC[NH+](C)C ZINC000584449937 337339436 /nfs/dbraw/zinc/33/94/36/337339436.db2.gz VDQJYOGXHYYDQY-CYBMUJFWSA-N 2 0 318.383 2.804 20 0 DFADRP C[C@@H]([NH2+]C(C)(C)CNC(=O)N[C@@H](C)C[C@H](C)[NH3+])c1ccccc1 ZINC000584468554 337344605 /nfs/dbraw/zinc/34/46/05/337344605.db2.gz XHGADTKJGJJYSH-SOUVJXGZSA-N 2 0 320.481 2.541 20 0 DFADRP COc1cccc2c1CC[C@H]([NH2+]C1C[C@H]3CC[C@@H](C1)[N@H+]3C)C2 ZINC000294716697 533867813 /nfs/dbraw/zinc/86/78/13/533867813.db2.gz CGNGQFDRFUWVMM-XYTVBORESA-N 2 0 300.446 2.767 20 0 DFADRP CC(C)[C@H](C[NH2+][C@H]1c2ccccc2C[C@H]1C)N1CC[NH+](C)CC1 ZINC000132459852 519816230 /nfs/dbraw/zinc/81/62/30/519816230.db2.gz YAIMJQAUCKBMBX-LSTHTHJFSA-N 2 0 315.505 2.782 20 0 DFADRP c1csc(C[NH+]2CCC(C[NH2+][C@@H]3CCn4ccnc43)CC2)c1 ZINC000297544418 534519263 /nfs/dbraw/zinc/51/92/63/534519263.db2.gz FEXKAWYDBXSRFJ-MRXNPFEDSA-N 2 0 316.474 2.891 20 0 DFADRP CC1CC[NH+](CC2CCN(C(=O)C3([NH3+])CCCCC3)CC2)CC1 ZINC000366333129 520999347 /nfs/dbraw/zinc/99/93/47/520999347.db2.gz LMPDCUUCVIGGAX-UHFFFAOYSA-N 2 0 321.509 2.619 20 0 DFADRP c1nc2ccccc2n1CCC[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000321472021 534536715 /nfs/dbraw/zinc/53/67/15/534536715.db2.gz WDHHLMLYEDJDKN-BBWFWOEESA-N 2 0 312.461 2.937 20 0 DFADRP CCCC[C@H]([NH3+])C(=O)NC[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000154547182 521209249 /nfs/dbraw/zinc/20/92/49/521209249.db2.gz SYAWWQIGIKCNJA-ZBFHGGJFSA-N 2 0 323.506 2.594 20 0 DFADRP CCOC(=O)c1coc(C[NH2+]C2CCC(C[NH+](C)C)CC2)c1 ZINC000354480491 521584379 /nfs/dbraw/zinc/58/43/79/521584379.db2.gz QJZVCZXFZUZDNS-UHFFFAOYSA-N 2 0 308.422 2.666 20 0 DFADRP CCC[N@H+](CC)CCN[C@H]1CC[NH+](Cc2ccccn2)C[C@@H]1C ZINC000156819333 521609935 /nfs/dbraw/zinc/60/99/35/521609935.db2.gz FXZZJWYPZKKAJI-HKUYNNGSSA-N 2 0 318.509 2.614 20 0 DFADRP CC[C@@H]([NH2+]CCCN1CC[NH+](CC)CC1)c1ccccc1OC ZINC000154316465 522826502 /nfs/dbraw/zinc/82/65/02/522826502.db2.gz VYJBVIMQGFDOSU-GOSISDBHSA-N 2 0 319.493 2.764 20 0 DFADRP CC(C)(CO)CC[NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]12 ZINC000294802337 527204043 /nfs/dbraw/zinc/20/40/43/527204043.db2.gz MZMUMQVYZBCQBQ-GUDVDZBRSA-N 2 0 316.489 2.895 20 0 DFADRP Cn1nccc1[C@H]1CCC[C@H]([NH2+]CC2(C)CC[NH+](C)CC2)C1 ZINC000363922851 527631498 /nfs/dbraw/zinc/63/14/98/527631498.db2.gz GENOBWCBJZFZJW-HOTGVXAUSA-N 2 0 304.482 2.768 20 0 DFADRP CC[N@@H+]1CC[C@H]([NH+](C)C[C@H](Cc2ccccc2)OC)[C@H](C)C1 ZINC000294841136 527831790 /nfs/dbraw/zinc/83/17/90/527831790.db2.gz BDQZWWKPNUEVSB-NEWSRXKRSA-N 2 0 304.478 2.906 20 0 DFADRP CCCN(CC)C[C@@H](C)[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000297482582 527989777 /nfs/dbraw/zinc/98/97/77/527989777.db2.gz SIUSGGVYGPHJMC-MRXNPFEDSA-N 2 0 304.482 2.760 20 0 DFADRP CC(C)CNC(=[NH2+])NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000309764493 528030042 /nfs/dbraw/zinc/03/00/42/528030042.db2.gz YZFYKPXPLLDCMD-KRWDZBQOSA-N 2 0 302.466 2.669 20 0 DFADRP CCN(CCC[NH+](CC)CC)C(=O)[C@H](C)[C@@H]([NH3+])c1ccccc1 ZINC000322978599 528102198 /nfs/dbraw/zinc/10/21/98/528102198.db2.gz YRCJOQDZRVUOBN-SJLPKXTDSA-N 2 0 319.493 2.903 20 0 DFADRP CCC[NH2+][C@H](C)C(=O)NC[C@@H](c1ccccc1)[NH+](CC)CC ZINC000294903915 528553641 /nfs/dbraw/zinc/55/36/41/528553641.db2.gz ZMLIPWGZKFALNM-WBVHZDCISA-N 2 0 305.466 2.574 20 0 DFADRP CC[NH+]1CCN(c2ccc(CNc3cc[nH+]c(C)c3)cn2)CC1 ZINC000302279966 529153229 /nfs/dbraw/zinc/15/32/29/529153229.db2.gz IYLYJCXZUUFRNR-UHFFFAOYSA-N 2 0 311.433 2.539 20 0 DFADRP CCC(CC)(C[NH3+])C(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000261883358 534934988 /nfs/dbraw/zinc/93/49/88/534934988.db2.gz UMEQTNDNWBQVSL-UHFFFAOYSA-N 2 0 317.477 2.664 20 0 DFADRP CC(C)C[N@@H+]1Cc2cccc(NC(=O)[C@H]3C[NH+](C)C[C@H]3C)c2C1 ZINC000362905889 535145425 /nfs/dbraw/zinc/14/54/25/535145425.db2.gz UJZBBCKRPRSHMZ-ZBFHGGJFSA-N 2 0 315.461 2.794 20 0 DFADRP CC(C)[NH+]1CCC(O)(C[NH2+][C@H](C)CCc2ccsc2)CC1 ZINC000360983028 535164904 /nfs/dbraw/zinc/16/49/04/535164904.db2.gz LIPYQFCCHMVJRZ-OAHLLOKOSA-N 2 0 310.507 2.894 20 0 DFADRP CC[NH2+]CC1CC[NH+](Cc2ccnn2-c2ccc(F)cc2)CC1 ZINC000261929462 535459879 /nfs/dbraw/zinc/45/98/79/535459879.db2.gz LIISLIJSSVIWEX-UHFFFAOYSA-N 2 0 316.424 2.833 20 0 DFADRP CC[NH+](CC)CC1CC[NH+](CC[S@](=O)c2ccccc2)CC1 ZINC000355392292 535496929 /nfs/dbraw/zinc/49/69/29/535496929.db2.gz NQGLOSKGGNXXQB-QFIPXVFZSA-N 2 0 322.518 2.848 20 0 DFADRP CC[NH+](CC)CCC[C@@H](C)[NH2+]Cc1cn(C)nc1C(F)F ZINC000360984963 535520569 /nfs/dbraw/zinc/52/05/69/535520569.db2.gz SSYNQZUMGBGECX-GFCCVEGCSA-N 2 0 302.413 2.958 20 0 DFADRP CC[NH+](CC)C[C@@H]1CCCC[C@H]1NC(=O)CCC1CC[NH2+]CC1 ZINC000262911662 535578849 /nfs/dbraw/zinc/57/88/49/535578849.db2.gz FTKIFLIKIISKPP-ZWKOTPCHSA-N 2 0 323.525 2.783 20 0 DFADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)CC(C)(C)CC ZINC000362630197 535593534 /nfs/dbraw/zinc/59/35/34/535593534.db2.gz GNZIKGYFLLCKBN-INIZCTEOSA-N 2 0 311.514 2.687 20 0 DFADRP CCN(C(=O)C[NH+]1CCC([C@H]2CCC[NH2+]2)CC1)C1CCCCC1 ZINC000261784359 535661986 /nfs/dbraw/zinc/66/19/86/535661986.db2.gz SJYJEHPWZIAIGW-GOSISDBHSA-N 2 0 321.509 2.632 20 0 DFADRP CC[NH+](CC)[C@H](CNC(=O)[C@@H]1C[C@H](C)CC[NH2+]1)c1ccccc1 ZINC000261914403 535674690 /nfs/dbraw/zinc/67/46/90/535674690.db2.gz QPCTYBXYNWKMQD-BPQIPLTHSA-N 2 0 317.477 2.574 20 0 DFADRP CC[C@H](C)[C@H]([NH3+])C(=O)N1CCc2c1cccc2C[NH+]1CCCC1 ZINC000361710356 535951372 /nfs/dbraw/zinc/95/13/72/535951372.db2.gz IOMWJEKTQSGNFC-KSSFIOAISA-N 2 0 315.461 2.545 20 0 DFADRP C[NH+](C)Cc1ccc(-c2noc(C[C@@H]3CCC[NH2+]CC3)n2)cc1 ZINC000261897814 535994682 /nfs/dbraw/zinc/99/46/82/535994682.db2.gz YGEOCKCPYRYZIQ-CQSZACIVSA-N 2 0 314.433 2.730 20 0 DFADRP C[NH+](C)Cc1cccc(NC(=O)[C@@H]([NH3+])CC2CCCCC2)c1 ZINC000262542336 536039165 /nfs/dbraw/zinc/03/91/65/536039165.db2.gz RGIXIQVUDRQBMJ-KRWDZBQOSA-N 2 0 303.450 2.984 20 0 DFADRP C[NH2+][C@H]1CCCN(CC(C)(C)C[N@H+](C)Cc2ccccc2)C1 ZINC000261927919 536412231 /nfs/dbraw/zinc/41/22/31/536412231.db2.gz CJSBADQTYFBRCH-SFHVURJKSA-N 2 0 303.494 2.828 20 0 DFADRP COC1(C[C@@H](C)[NH2+]CC2(SC)CC[NH+](C)CC2)CCC1 ZINC000353661769 536693152 /nfs/dbraw/zinc/69/31/52/536693152.db2.gz QYQXGUOLMRFLPY-CQSZACIVSA-N 2 0 300.512 2.751 20 0 DFADRP COCCOc1cccc(C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)c1 ZINC000245691219 536709793 /nfs/dbraw/zinc/70/97/93/536709793.db2.gz ATOXQKVUDXBLKQ-PKOBYXMFSA-N 2 0 318.461 2.628 20 0 DFADRP COCC1(C[N@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)CCC1 ZINC000361396714 536822080 /nfs/dbraw/zinc/82/20/80/536822080.db2.gz UZUVEOKSPIJEPH-KDURUIRLSA-N 2 0 314.473 2.867 20 0 DFADRP Cc1ccc2[nH+]ccc(N3CC[NH+]([C@H]4CCC[C@H]4O)CC3)c2c1 ZINC000680620472 545520012 /nfs/dbraw/zinc/52/00/12/545520012.db2.gz HQBBJGMWQYIYFN-RBUKOAKNSA-N 2 0 311.429 2.579 20 0 DFADRP CCCc1ccc(C[NH2+][C@H](C)CCN2CC[NH+](C)CC2)cc1 ZINC000681135954 545601732 /nfs/dbraw/zinc/60/17/32/545601732.db2.gz KGFNGQCLKIYHMA-QGZVFWFLSA-N 2 0 303.494 2.755 20 0 DFADRP CO[C@]1(C(F)(F)F)CCCN(CC[C@H]2CCCC[N@@H+]2C)C1 ZINC000682036922 545780237 /nfs/dbraw/zinc/78/02/37/545780237.db2.gz HLWVPRHBWQGXBA-ZIAGYGMSSA-N 2 0 308.388 2.904 20 0 DFADRP CC(C)[C@@H](C[NH2+]C1CC[NH+](CC2CC2)CC1)c1ccnn1C ZINC000682648029 545891148 /nfs/dbraw/zinc/89/11/48/545891148.db2.gz WAYYEGBERUVCKD-QGZVFWFLSA-N 2 0 304.482 2.624 20 0 DFADRP CC[NH+](CC)CCC[NH+]1C[C@@H]2CN(c3ccccc3)C[C@H]2C1 ZINC000683141659 545978693 /nfs/dbraw/zinc/97/86/93/545978693.db2.gz PXVKRIBWXKHRJT-QZTJIDSGSA-N 2 0 301.478 2.787 20 0 DFADRP Cc1ccc([C@H](C)[NH2+]CCC[N@@H+]2CCCO[C@H](C)C2)c(C)n1 ZINC000683346139 546016251 /nfs/dbraw/zinc/01/62/51/546016251.db2.gz SEFJJUJALQUQML-CVEARBPZSA-N 2 0 305.466 2.850 20 0 DFADRP C[C@H]1C[N@H+](CCC[NH2+]Cc2ccc3cnccc3c2)CCCO1 ZINC000683775545 546093772 /nfs/dbraw/zinc/09/37/72/546093772.db2.gz BJTVXPINBBXMOI-INIZCTEOSA-N 2 0 313.445 2.825 20 0 DFADRP CC[NH+]1CCN(C[C@H](C)C[NH2+]Cc2cc3ccccc3[nH]2)CC1 ZINC000683927142 546121888 /nfs/dbraw/zinc/12/18/88/546121888.db2.gz LJWOCRNHAQWELY-MRXNPFEDSA-N 2 0 314.477 2.531 20 0 DFADRP C[NH+](C)CCOc1cc(C[NH2+]Cc2cc3ccccc3[nH]2)ccn1 ZINC000683929928 546122482 /nfs/dbraw/zinc/12/24/82/546122482.db2.gz IBDYFTQAOYULBH-UHFFFAOYSA-N 2 0 324.428 2.793 20 0 DFADRP CO[C@@H]1CCC[C@@H]([NH2+]CC2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000684389893 546207523 /nfs/dbraw/zinc/20/75/23/546207523.db2.gz YEVVJHDQEDRZLG-SJLPKXTDSA-N 2 0 303.450 2.845 20 0 DFADRP C[NH+]1CCC([C@@H]2CC[N@H+](Cc3nc4c(s3)CCC4)C2)CC1 ZINC000685463164 546354666 /nfs/dbraw/zinc/35/46/66/546354666.db2.gz UIVXFWNLDBGQJG-CQSZACIVSA-N 2 0 305.491 2.796 20 0 DFADRP Cc1nc(C)c(C[N@@H+]2CC[C@H](CNc3cc(C)cc[nH+]3)C2)o1 ZINC000685564021 546367838 /nfs/dbraw/zinc/36/78/38/546367838.db2.gz SHRZCHCONYDSAD-OAHLLOKOSA-N 2 0 300.406 2.929 20 0 DFADRP C1COC[C@H]([NH+]2CCCC3(CCC[N@@H+]([C@@H]4CCCOC4)C3)C2)C1 ZINC000685593191 546373183 /nfs/dbraw/zinc/37/31/83/546373183.db2.gz LFGNJWCOVDPQHT-PWCSWUJKSA-N 2 0 322.493 2.522 20 0 DFADRP COc1cccc2c1CC[C@@H]2[NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1 ZINC000278526634 214212763 /nfs/dbraw/zinc/21/27/63/214212763.db2.gz NEJSMZKBLKXMGE-YJBOKZPZSA-N 2 0 318.461 2.773 20 0 DFADRP OC1CCC([NH2+][C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)CC1 ZINC000305861047 231075819 /nfs/dbraw/zinc/07/58/19/231075819.db2.gz LUHLBRUZSLPQSK-WYRHQLMOSA-N 2 0 314.473 2.790 20 0 DFADRP C[C@@H]1C[C@H](NC[C@]2(C)CC[NH+](Cc3ccccc3)C2)CC[N@@H+]1C ZINC000309746991 231103925 /nfs/dbraw/zinc/10/39/25/231103925.db2.gz UTIRFYZKEUABCP-RLLQIKCJSA-N 2 0 315.505 2.971 20 0 DFADRP Cc1cc([C@@H](C)[NH2+]C[C@H](C(C)C)N2CC[NH+](C)CC2)c(C)o1 ZINC000315227385 231138830 /nfs/dbraw/zinc/13/88/30/231138830.db2.gz LKRXKSCJFDKYBS-CRAIPNDOSA-N 2 0 307.482 2.819 20 0 DFADRP c1ccc(CC[N@@H+]2CC[C@H](N[C@H]3CC[NH+]4CCC[C@@H]4C3)C2)cc1 ZINC000322595207 231211160 /nfs/dbraw/zinc/21/11/60/231211160.db2.gz KUYHADQAUALEBW-SLFFLAALSA-N 2 0 313.489 2.520 20 0 DFADRP c1ccc(CC[N@@H+]2CC[C@H](N[C@@H]3CC[NH+]4CCC[C@H]4C3)C2)cc1 ZINC000322595203 231212643 /nfs/dbraw/zinc/21/26/43/231212643.db2.gz KUYHADQAUALEBW-AABGKKOBSA-N 2 0 313.489 2.520 20 0 DFADRP CC[C@H]1CCCCN1C(=O)C[N@@H+]1CCC[C@H](n2ccnc2C)C1 ZINC000591905791 398348139 /nfs/dbraw/zinc/34/81/39/398348139.db2.gz KKJIHAPIHMBZLZ-IRXDYDNUSA-N 2 0 318.465 2.620 20 0 DFADRP CS[C@@H]1CN(c2[nH+]ccc3[nH]ccc32)C[C@H]1[NH+]1CCCC1 ZINC000596195877 398354500 /nfs/dbraw/zinc/35/45/00/398354500.db2.gz PIKZRAVIKLHQGJ-HUUCEWRRSA-N 2 0 302.447 2.579 20 0 DFADRP CCc1c(C)[nH+]c2ccccc2c1NC[C@](C)(O)C[NH+](C)C ZINC000302060956 529492163 /nfs/dbraw/zinc/49/21/63/529492163.db2.gz SBAFQSBFAQFDQG-SFHVURJKSA-N 2 0 301.434 2.830 20 0 DFADRP CC(C)[NH+](CCNC(=O)CC[C@H]([NH3+])c1ccccc1)C(C)C ZINC000236782396 398364750 /nfs/dbraw/zinc/36/47/50/398364750.db2.gz LEXBSUXZVYQFLD-KRWDZBQOSA-N 2 0 305.466 2.702 20 0 DFADRP CC(C)C[C@H](CNC(=O)CC[C@H]([NH3+])c1ccccc1)[NH+](C)C ZINC000236629323 398362860 /nfs/dbraw/zinc/36/28/60/398362860.db2.gz KIFDROBWDAQYQT-SJORKVTESA-N 2 0 305.466 2.559 20 0 DFADRP C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)CC[C@@H]([NH3+])c1ccccc1 ZINC000237544210 398371797 /nfs/dbraw/zinc/37/17/97/398371797.db2.gz ZCLPXGYOKQBCDC-JFIYKMOQSA-N 2 0 317.477 2.703 20 0 DFADRP C[C@H](CC(=O)NCCC[N@H+](C)C1CCCCC1)C1CC[NH2+]CC1 ZINC000237620101 398373056 /nfs/dbraw/zinc/37/30/56/398373056.db2.gz XBEAMXFVVPJMNR-MRXNPFEDSA-N 2 0 323.525 2.783 20 0 DFADRP [NH3+][C@H](CCC(=O)N1CC[NH+](C2CCCC2)CC1)c1ccccc1 ZINC000237906141 398375196 /nfs/dbraw/zinc/37/51/96/398375196.db2.gz VAZSJSMJXFWJGT-GOSISDBHSA-N 2 0 315.461 2.553 20 0 DFADRP C[C@H]1C[C@H](C)C[NH+](CCCC[NH2+]C2CCN(C3CC3)CC2)C1 ZINC000459371045 299089590 /nfs/dbraw/zinc/08/95/90/299089590.db2.gz HYERTQRQUVJQNO-IRXDYDNUSA-N 2 0 307.526 2.961 20 0 DFADRP CC(C)(C[NH2+]C1CCN(c2cc[nH+]cc2)CC1)N1CCCCC1 ZINC000459373959 299090469 /nfs/dbraw/zinc/09/04/69/299090469.db2.gz SEWVAEGBSAJBMQ-UHFFFAOYSA-N 2 0 316.493 2.905 20 0 DFADRP COc1cccc(C[NH+]2CCC(CC[NH+](C)C)CC2)c1OC ZINC000092381153 185314874 /nfs/dbraw/zinc/31/48/74/185314874.db2.gz UYTJWXMZPKPKBZ-UHFFFAOYSA-N 2 0 306.450 2.868 20 0 DFADRP C[NH+]1CCC(N2CCC([NH2+]C3CC(C(C)(C)C)C3)CC2)CC1 ZINC000459383292 299092767 /nfs/dbraw/zinc/09/27/67/299092767.db2.gz AXRNDVPANAWHKS-UHFFFAOYSA-N 2 0 307.526 2.959 20 0 DFADRP CC(C)(C)OC(=O)C1CCC([NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000092560988 185326117 /nfs/dbraw/zinc/32/61/17/185326117.db2.gz DKAGQXZHPIPCLL-QQFBHYJXSA-N 2 0 322.493 2.961 20 0 DFADRP Cc1ncsc1C[NH+]1CCC(C[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000092587507 185327709 /nfs/dbraw/zinc/32/77/09/185327709.db2.gz KEUVKDGPAXRFSM-KBPBESRZSA-N 2 0 323.506 2.773 20 0 DFADRP C[C@H](c1ccc2c(c1)CCC2)[N@H+](C)CCCN1CC[NH+](C)CC1 ZINC000459389828 299094230 /nfs/dbraw/zinc/09/42/30/299094230.db2.gz MSFIOBSSSITMSQ-QGZVFWFLSA-N 2 0 315.505 2.806 20 0 DFADRP C[C@@H]([NH2+]CCn1cc(Cl)cn1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000459405870 299098549 /nfs/dbraw/zinc/09/85/49/299098549.db2.gz OCPSZYVRVWPDMY-KGLIPLIRSA-N 2 0 310.873 2.779 20 0 DFADRP CCn1nc(C)c(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)c1C ZINC000584714895 398401272 /nfs/dbraw/zinc/40/12/72/398401272.db2.gz MKEVWDQPSXJYRP-RYQLBKOJSA-N 2 0 304.482 2.920 20 0 DFADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]C[C@H]1CCCCN1C1CC1 ZINC000584714333 398401349 /nfs/dbraw/zinc/40/13/49/398401349.db2.gz ISTWSXUFQYFEQO-SUMWQHHRSA-N 2 0 302.466 2.516 20 0 DFADRP CCCN(Cc1ccc(C)cc1)C(=O)CN1CC[C@H]([NH3+])C[C@@H]1C ZINC000584728518 398403989 /nfs/dbraw/zinc/40/39/89/398403989.db2.gz NYOZGLSVIRFBBQ-WMZOPIPTSA-N 2 0 317.477 2.545 20 0 DFADRP CCCN(Cc1ccc(C)cc1)C(=O)CN1CC[C@H]([NH3+])C[C@H]1C ZINC000584728515 398404043 /nfs/dbraw/zinc/40/40/43/398404043.db2.gz NYOZGLSVIRFBBQ-AEFFLSMTSA-N 2 0 317.477 2.545 20 0 DFADRP CC(C)[NH+]1CCC([N@H+](C)CCC(=O)NCC2CCCCC2)CC1 ZINC000066873278 398404834 /nfs/dbraw/zinc/40/48/34/398404834.db2.gz QHHDKLLGNKFGQE-UHFFFAOYSA-N 2 0 323.525 2.878 20 0 DFADRP C[C@@H](Cc1cccc(O)c1)[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000459415566 299100830 /nfs/dbraw/zinc/10/08/30/299100830.db2.gz WOBCBZYCVLIFCU-HNNXBMFYSA-N 2 0 311.429 2.977 20 0 DFADRP CC[C@@H]([NH2+]Cc1ccccc1C[N@@H+]1CCC[C@@H]1CO)C1CC1 ZINC000272782543 210187146 /nfs/dbraw/zinc/18/71/46/210187146.db2.gz WDRJGSSZQQBYOM-RTBURBONSA-N 2 0 302.462 2.922 20 0 DFADRP Cc1cccc(NC(=O)[C@H](C)[NH+]2CCC(CC[NH3+])CC2)c1C ZINC000584785999 398413215 /nfs/dbraw/zinc/41/32/15/398413215.db2.gz WXLISOFXXQRGAV-HNNXBMFYSA-N 2 0 303.450 2.691 20 0 DFADRP CC[NH+]1CCN([C@H]2CC[N@H+](C/C=C\c3ccc(F)cc3)C2)CC1 ZINC000255012165 398423568 /nfs/dbraw/zinc/42/35/68/398423568.db2.gz VQTYDYHIPHQIDY-LLHWWHOWSA-N 2 0 317.452 2.551 20 0 DFADRP C[C@@H]1C[C@H]([NH2+][C@@H](CN2CC[NH+](C)CC2)c2ccccc2)[C@@H]1C ZINC000584875335 398424457 /nfs/dbraw/zinc/42/44/57/398424457.db2.gz VFFMRDCKYQEJLP-FPAYPSAMSA-N 2 0 301.478 2.609 20 0 DFADRP C[N@H+](CCCc1nc(-c2cccs2)no1)[C@@H]1CCC[NH2+]CC1 ZINC000318519233 529897508 /nfs/dbraw/zinc/89/75/08/529897508.db2.gz RDWUZEONVPTOLH-CYBMUJFWSA-N 2 0 320.462 2.805 20 0 DFADRP CCOC(=O)c1ccc(C[N@@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)o1 ZINC000592433627 398425457 /nfs/dbraw/zinc/42/54/57/398425457.db2.gz MOCJTZCNCLQNFW-HUUCEWRRSA-N 2 0 320.433 2.668 20 0 DFADRP COC(=O)c1ccc(C[N@@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)cc1 ZINC000592433642 398425678 /nfs/dbraw/zinc/42/56/78/398425678.db2.gz MXIPKGDRKKNXKN-QZTJIDSGSA-N 2 0 316.445 2.685 20 0 DFADRP CC[N@@H+]1CC[C@H]([NH2+][C@@H]2CC[C@H](C(=O)OC(C)(C)C)C2)[C@@H](C)C1 ZINC000592404425 398422495 /nfs/dbraw/zinc/42/24/95/398422495.db2.gz SNMPQKDRAMCAGY-JONQDZQNSA-N 2 0 310.482 2.817 20 0 DFADRP CC[NH+](CC)[C@H](CNC(=O)[C@H]1CCC[C@H]([NH3+])C1)c1ccsc1 ZINC000262263068 398430759 /nfs/dbraw/zinc/43/07/59/398430759.db2.gz GWALBDDQXDMJMC-CWRNSKLLSA-N 2 0 323.506 2.765 20 0 DFADRP CC[C@@H]1C[N@H+](Cc2ccc3oc(C(=O)OC)cc3c2)CC[C@H]1[NH3+] ZINC000592489440 398432721 /nfs/dbraw/zinc/43/27/21/398432721.db2.gz VUGWWOJKGQKCIW-UKRRQHHQSA-N 2 0 316.401 2.779 20 0 DFADRP C[N@H+](CC[C@H]1CCCC[NH+]1C)C[C@@H](O)Cc1ccc(F)cc1 ZINC000292852388 529931739 /nfs/dbraw/zinc/93/17/39/529931739.db2.gz QSGUXISTZOETBJ-MSOLQXFVSA-N 2 0 308.441 2.535 20 0 DFADRP CCOC(=O)CCCCC[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000592491666 398433652 /nfs/dbraw/zinc/43/36/52/398433652.db2.gz FWBTZAAVPAJDQA-DLBZAZTESA-N 2 0 310.482 2.822 20 0 DFADRP C[C@@H](C(=O)NC[C@@H](c1ccccc1)[NH+](C)C)[NH+]1CCCCCC1 ZINC000025408055 398441347 /nfs/dbraw/zinc/44/13/47/398441347.db2.gz ZISWFZPRJGAMCP-WMZOPIPTSA-N 2 0 317.477 2.670 20 0 DFADRP Cc1cc(F)c(C[NH2+]C[C@@H](C)N2CC[NH+](C)CC2)c(Cl)c1 ZINC000459436072 299106305 /nfs/dbraw/zinc/10/63/05/299106305.db2.gz WSDBGEYGXYSLFY-CYBMUJFWSA-N 2 0 313.848 2.513 20 0 DFADRP CCO[C@@H]1C[C@@H]([NH2+]CCC[NH+](C(C)C)C(C)C)[C@@H]1SC ZINC000459451856 299109842 /nfs/dbraw/zinc/10/98/42/299109842.db2.gz ZMBZHMXVURZVTM-OAGGEKHMSA-N 2 0 302.528 2.994 20 0 DFADRP C[C@@H]1C[C@H]([NH+]2CCCC2)CN1[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000459455697 299110275 /nfs/dbraw/zinc/11/02/75/299110275.db2.gz DEGIYJJULJTGML-HOJAQTOUSA-N 2 0 313.489 2.820 20 0 DFADRP CC[NH+]1C[C@@H](C)N(CC[N@H+](C)Cc2ccc(F)cc2)[C@H](C)C1 ZINC000459454260 299110000 /nfs/dbraw/zinc/11/00/00/299110000.db2.gz FBMYHLWLSLUXCM-HZPDHXFCSA-N 2 0 307.457 2.672 20 0 DFADRP CCO[C@@H]1C[C@H]([NH2+]C[C@H](C)N(C)C)[C@H]1Sc1ccccc1 ZINC000459459634 299112190 /nfs/dbraw/zinc/11/21/90/299112190.db2.gz GTFWMZZAPFRRQX-QMCVQRASSA-N 2 0 308.491 2.864 20 0 DFADRP C[C@@H]1CCC[N@H+](CCNC(=O)Nc2cccc(C[NH+](C)C)c2)C1 ZINC000046381200 282376904 /nfs/dbraw/zinc/37/69/04/282376904.db2.gz WBWJPBGEXZJHHH-OAHLLOKOSA-N 2 0 318.465 2.602 20 0 DFADRP COC[C@H]([NH2+]C[C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1)C1CC1 ZINC000090708539 398491873 /nfs/dbraw/zinc/49/18/73/398491873.db2.gz FKQPKQGGHFYYDU-IEZWGBDMSA-N 2 0 302.462 2.912 20 0 DFADRP CCCN(CC[NH2+][C@H]1CC[N@H+](C)C[C@@H]1C)C(=O)OC(C)(C)C ZINC000090811801 398493095 /nfs/dbraw/zinc/49/30/95/398493095.db2.gz WFLKPCIRMMRURK-GJZGRUSLSA-N 2 0 313.486 2.563 20 0 DFADRP CCc1cnc(C[NH2+]C2CCN(c3cc[nH+]cc3)CC2)s1 ZINC000234213172 201902255 /nfs/dbraw/zinc/90/22/55/201902255.db2.gz FHRUPJJACKDBAU-UHFFFAOYSA-N 2 0 302.447 2.859 20 0 DFADRP CC(=O)Nc1ccc([C@@H](C)[NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000181941575 199366070 /nfs/dbraw/zinc/36/60/70/199366070.db2.gz FEJCJNXPBMIXIG-UKRRQHHQSA-N 2 0 301.434 2.780 20 0 DFADRP C[C@@]1(C[NH2+]C2CCN(c3cc[nH+]cc3)CC2)CCO[C@H]1C1CC1 ZINC000459540943 299129330 /nfs/dbraw/zinc/12/93/30/299129330.db2.gz VSKJDHLSTZBGBS-OALUTQOASA-N 2 0 315.461 2.845 20 0 DFADRP OC[C@@H](C[NH2+]C1CCN(c2cc[nH+]cc2)CC1)CC1CCCC1 ZINC000459549252 299131667 /nfs/dbraw/zinc/13/16/67/299131667.db2.gz ZCMUQDMFTCPRNK-QGZVFWFLSA-N 2 0 317.477 2.829 20 0 DFADRP CC[C@H](CCO)C[NH2+][C@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272672866 210077934 /nfs/dbraw/zinc/07/79/34/210077934.db2.gz QCCPTAHFAUVMTJ-ZHALLVOQSA-N 2 0 304.478 2.895 20 0 DFADRP CC(C)(C)OC(=O)[C@@]1(C)CC[N@H+](CCC[NH+]2CCCCC2)C1 ZINC000459558894 299133367 /nfs/dbraw/zinc/13/33/67/299133367.db2.gz JYUOSUYNOVGTIO-SFHVURJKSA-N 2 0 310.482 2.916 20 0 DFADRP CC(C)[C@H]([NH2+]CCCC[N@@H+]1CCC[C@@H]1CO)c1cccnc1 ZINC000091336547 398526766 /nfs/dbraw/zinc/52/67/66/398526766.db2.gz CSRXMAWWZNUTJU-MSOLQXFVSA-N 2 0 305.466 2.605 20 0 DFADRP CC(C)[C@@H]([NH2+]CCCC[N@@H+]1CCC[C@@H]1CO)c1cccnc1 ZINC000091336550 398526123 /nfs/dbraw/zinc/52/61/23/398526123.db2.gz CSRXMAWWZNUTJU-QZTJIDSGSA-N 2 0 305.466 2.605 20 0 DFADRP CC[NH+]1CCN([C@@H]2CC[N@H+](Cc3cccc(C(F)F)c3)C2)CC1 ZINC000279693687 215066988 /nfs/dbraw/zinc/06/69/88/215066988.db2.gz IFZCIVPTVLMRSB-QGZVFWFLSA-N 2 0 323.431 2.836 20 0 DFADRP O=C(CC[C@H]1CC[NH2+]C1)Nc1ccc(C[NH+]2CCCC2)cc1 ZINC000317333622 398535592 /nfs/dbraw/zinc/53/55/92/398535592.db2.gz XLMAPYQOKPACAQ-HNNXBMFYSA-N 2 0 301.434 2.611 20 0 DFADRP CC[NH+]1CCC(CC[NH2+][C@@H](C)Cc2ccc(OC)nc2)CC1 ZINC000414115191 295768907 /nfs/dbraw/zinc/76/89/07/295768907.db2.gz PECWLMNUQYWEEX-HNNXBMFYSA-N 2 0 305.466 2.733 20 0 DFADRP CC(C)[C@H](CNC(=O)c1ccc(C[NH3+])cc1)[NH+]1CCC(C)CC1 ZINC000236669832 201957483 /nfs/dbraw/zinc/95/74/83/201957483.db2.gz WQDFUBQIFQBMKJ-SFHVURJKSA-N 2 0 317.477 2.632 20 0 DFADRP CSC1(C[NH2+][C@H]2CCCc3cccnc32)CC[NH+](C)CC1 ZINC000589345577 398547452 /nfs/dbraw/zinc/54/74/52/398547452.db2.gz XYPZWRLYJLLTAU-HNNXBMFYSA-N 2 0 305.491 2.876 20 0 DFADRP CC(C)n1nccc1C[NH2+]Cc1cccc(OCC[NH+](C)C)c1 ZINC000279771918 215132286 /nfs/dbraw/zinc/13/22/86/215132286.db2.gz BKFAJOOIBRTSOR-UHFFFAOYSA-N 2 0 316.449 2.694 20 0 DFADRP COC(=O)c1oc(C[NH2+]CCCC[N@@H+]2CCC[C@@H](C)C2)cc1C ZINC000597049042 398555936 /nfs/dbraw/zinc/55/59/36/398555936.db2.gz ZJLWWINNEQKWJC-CQSZACIVSA-N 2 0 322.449 2.976 20 0 DFADRP CCC[NH+]1CCC(C[NH2+]Cc2ccc(C(=O)OC)c(F)c2)CC1 ZINC000597055208 398556351 /nfs/dbraw/zinc/55/63/51/398556351.db2.gz CWGPQMBVRGOPGK-UHFFFAOYSA-N 2 0 322.424 2.824 20 0 DFADRP COC(=O)c1ccc(C[NH2+]C2CCC([NH+](C)C)CC2)cc1F ZINC000597153346 398576958 /nfs/dbraw/zinc/57/69/58/398576958.db2.gz IPCOANLFVWASCF-UHFFFAOYSA-N 2 0 308.397 2.575 20 0 DFADRP Cn1cc(C[NH+]2CCC([C@@H]3CCC[NH2+]3)CC2)c(C(C)(C)C)n1 ZINC000261824735 282634060 /nfs/dbraw/zinc/63/40/60/282634060.db2.gz AWDXFSYHVOOWTD-INIZCTEOSA-N 2 0 304.482 2.682 20 0 DFADRP COC(=O)c1ccc(C[NH2+]C[C@H]2CCN2C(C)(C)C)cc1F ZINC000597172981 398581512 /nfs/dbraw/zinc/58/15/12/398581512.db2.gz KIGNBWKNTSWKPB-CYBMUJFWSA-N 2 0 308.397 2.575 20 0 DFADRP CCOC(=O)C1([C@@H](C)[NH2+][C@@H]2C[C@H]2CC(C)(C)C)CC[NH2+]CC1 ZINC000593319549 398597368 /nfs/dbraw/zinc/59/73/68/398597368.db2.gz NFHNGPIZXJLUJV-QLFBSQMISA-N 2 0 310.482 2.722 20 0 DFADRP CC[C@@H]([NH2+]CCC1CC[NH2+]CC1)c1ccc(C(=O)OC)cc1 ZINC000593324594 398599412 /nfs/dbraw/zinc/59/94/12/398599412.db2.gz YARQFZSUUCFGCX-QGZVFWFLSA-N 2 0 304.434 2.904 20 0 DFADRP c1[nH+]cn2cc(-c3nc(CC45CCC[NH+]4CCC5)no3)ccc12 ZINC000351247532 398625548 /nfs/dbraw/zinc/62/55/48/398625548.db2.gz VCMOPOMQLWYDJF-UHFFFAOYSA-N 2 0 309.373 2.555 20 0 DFADRP CC[N@@H+]1CC[C@@H]([NH2+]CCCOc2ccc(OC)cc2)[C@H](C)C1 ZINC000152491176 186079043 /nfs/dbraw/zinc/07/90/43/186079043.db2.gz KTYQIYGRPGBRJE-CRAIPNDOSA-N 2 0 306.450 2.784 20 0 DFADRP C[C@H]([NH2+]CC1=CCCOC1)c1cccc(OCC[NH+](C)C)c1 ZINC000287176967 219362366 /nfs/dbraw/zinc/36/23/66/219362366.db2.gz UYODLAJWUIWKBP-HNNXBMFYSA-N 2 0 304.434 2.624 20 0 DFADRP C[N@H+](Cc1ccccc1)CC(C)(C)C[NH+]1CCC(C)(O)CC1 ZINC000179725474 186210401 /nfs/dbraw/zinc/21/04/01/186210401.db2.gz SQWRATZVPBGSLI-UHFFFAOYSA-N 2 0 304.478 2.991 20 0 DFADRP CC(C)[NH+]1CCC(C(=O)NCCC[NH+]2C[C@@H](C)C[C@H](C)C2)CC1 ZINC000174649330 535145964 /nfs/dbraw/zinc/14/59/64/535145964.db2.gz DCOZJNRMOOIQDE-IRXDYDNUSA-N 2 0 323.525 2.591 20 0 DFADRP C[C@@H]([NH2+][C@@H]1CCC[C@@H]1CCO)c1cccc(OCC[NH+](C)C)c1 ZINC000188025450 186245747 /nfs/dbraw/zinc/24/57/47/186245747.db2.gz PVHOVTORFXHQLN-GPMSIDNRSA-N 2 0 320.477 2.829 20 0 DFADRP C[C@H]([NH2+][C@@H]1CCC[C@@H]1CCO)c1ccc(OCC[NH+](C)C)cc1 ZINC000188041205 186248387 /nfs/dbraw/zinc/24/83/87/186248387.db2.gz HTACPYMTRKDKFY-KVSKMBFKSA-N 2 0 320.477 2.829 20 0 DFADRP C[C@H]1CCCC[N@@H+]1CCCCNC(=O)C[C@@H]([NH3+])c1ccccc1 ZINC000237496961 186297681 /nfs/dbraw/zinc/29/76/81/186297681.db2.gz VXRKPDXPELYZBF-FUHWJXTLSA-N 2 0 317.477 2.847 20 0 DFADRP Cc1ccc(C)c(N2CC[NH+](C[C@H]3CC[NH2+][C@H](C)C3)CC2)c1 ZINC000414678810 295815267 /nfs/dbraw/zinc/81/52/67/295815267.db2.gz RCRICBFJLPOSRJ-MSOLQXFVSA-N 2 0 301.478 2.814 20 0 DFADRP C[N@@H+]1CCC[C@H](CC[NH2+]Cc2cnn(Cc3ccccc3)c2)C1 ZINC000459724932 299173071 /nfs/dbraw/zinc/17/30/71/299173071.db2.gz FIMSUOROXOLOAQ-GOSISDBHSA-N 2 0 312.461 2.753 20 0 DFADRP C[C@H]([NH2+]CCC[NH+]1CCCC1)c1cccc(N2CCOCC2)c1 ZINC000268743012 186374598 /nfs/dbraw/zinc/37/45/98/186374598.db2.gz QUMWLUSDVBIYRO-KRWDZBQOSA-N 2 0 317.477 2.660 20 0 DFADRP CC[N@@H+]1CC[C@H](CN[C@@H]2CC[NH+](Cc3ccccc3)C[C@H]2C)C1 ZINC000268746021 186376056 /nfs/dbraw/zinc/37/60/56/186376056.db2.gz ASPFXPKJBZQZGK-MISYRCLQSA-N 2 0 315.505 2.828 20 0 DFADRP COc1ccc(C[C@H](C)[NH2+][C@@H]2CC[N@@H+]3CCCC[C@@H]23)cc1OC ZINC000268746682 186376332 /nfs/dbraw/zinc/37/63/32/186376332.db2.gz AUDLZCQITNIKSV-UAGQMJEPSA-N 2 0 318.461 2.851 20 0 DFADRP C[C@@H]1CN(Cc2ccccc2)C[C@@H]1[NH2+]CC[C@H]1CCC[N@H+](C)C1 ZINC000459730585 299174519 /nfs/dbraw/zinc/17/45/19/299174519.db2.gz KSDTXGZNWMQZKQ-RLLQIKCJSA-N 2 0 315.505 2.828 20 0 DFADRP COc1cc(C)c(C[NH2+]CC[C@@H]2CCC[N@H+](C)C2)cc1OC ZINC000459731208 299174985 /nfs/dbraw/zinc/17/49/85/299174985.db2.gz KXFIYJDRZQXGSF-HNNXBMFYSA-N 2 0 306.450 2.834 20 0 DFADRP COc1cccc2c1CC[C@@H]([NH2+]CC[C@H]1CCC[N@H+](C)C1)C2 ZINC000459733026 299175721 /nfs/dbraw/zinc/17/57/21/299175721.db2.gz GFEIBQOZKPDAGD-NVXWUHKLSA-N 2 0 302.462 2.874 20 0 DFADRP C[C@H](CCc1ccc2c(c1)OCO2)[NH2+][C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000414825149 295822482 /nfs/dbraw/zinc/82/24/82/295822482.db2.gz SBCOLSFKDOFBSG-IJEWVQPXSA-N 2 0 304.434 2.714 20 0 DFADRP CC(C)[C@H](Cn1cccn1)[NH2+]Cc1cccc(C[NH+](C)C)c1 ZINC000296051209 186689098 /nfs/dbraw/zinc/68/90/98/186689098.db2.gz RCJJOJCSTIQFTB-SFHVURJKSA-N 2 0 300.450 2.759 20 0 DFADRP COc1ccc(-c2ccncc2)cc1C[NH2+]CC[C@@H]1CC[NH2+]C1 ZINC000414825531 295822745 /nfs/dbraw/zinc/82/27/45/295822745.db2.gz CMISQFFEMKAJGD-HNNXBMFYSA-N 2 0 311.429 2.846 20 0 DFADRP C[C@@H](CC(=O)Nc1cccc(Cl)c1)[NH2+]CC[C@@H]1CC[NH2+]C1 ZINC000414839356 295824497 /nfs/dbraw/zinc/82/44/97/295824497.db2.gz WCFMXKPLYRANOH-STQMWFEESA-N 2 0 309.841 2.646 20 0 DFADRP C/C(=C\c1ccc(Cl)cc1)C[NH2+][C@H](C)CN1CC[NH+](C)CC1 ZINC000119136741 282759966 /nfs/dbraw/zinc/75/99/66/282759966.db2.gz IEWYILTXENGKIR-ASNKMWSDSA-N 2 0 321.896 2.969 20 0 DFADRP c1ccc(COc2ccccc2C[NH2+]CC[C@H]2CC[NH2+]C2)nc1 ZINC000414841056 295824775 /nfs/dbraw/zinc/82/47/75/295824775.db2.gz XQOJKMOJWPFBSN-MRXNPFEDSA-N 2 0 311.429 2.750 20 0 DFADRP Cc1ccccc1NC(=O)C[C@@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000414842005 295824797 /nfs/dbraw/zinc/82/47/97/295824797.db2.gz ZVPIVVXMDHCFLO-JZWPEALZSA-N 2 0 301.434 2.585 20 0 DFADRP CCOc1c(Cl)cc(C[NH2+]C[C@H](C)C[NH2+]C)cc1OC ZINC000414842057 295825019 /nfs/dbraw/zinc/82/50/19/295825019.db2.gz OUAFDKRTYIAGNC-LLVKDONJSA-N 2 0 300.830 2.692 20 0 DFADRP Clc1cc(C[NH2+]CC[C@H]2CCC[NH2+]C2)cc2c1OCCCO2 ZINC000414853633 295826493 /nfs/dbraw/zinc/82/64/93/295826493.db2.gz SDYYOXHYROWWSD-CYBMUJFWSA-N 2 0 324.852 2.981 20 0 DFADRP COc1ccc(CC[C@@H](C)[NH2+]CC2=CC[N@H+](C)CC2)cc1O ZINC000277221180 213375773 /nfs/dbraw/zinc/37/57/73/213375773.db2.gz MBEWEDKSGBLIFV-CQSZACIVSA-N 2 0 304.434 2.573 20 0 DFADRP C[C@@H](C[NH3+])C[NH2+]Cc1cccc(Br)c1OC(F)F ZINC000414870264 295828585 /nfs/dbraw/zinc/82/85/85/295828585.db2.gz BWNLJUZPMHRYJP-QMMMGPOBSA-N 2 0 323.181 2.735 20 0 DFADRP C[C@@H](C[NH3+])C[NH2+]Cc1cn(-c2ccccc2)nc1-c1cccnc1 ZINC000414874129 295828804 /nfs/dbraw/zinc/82/88/04/295828804.db2.gz IDFCURKKOOCFSZ-HNNXBMFYSA-N 2 0 321.428 2.619 20 0 DFADRP CCCOc1c(Cl)cc(C[NH2+][C@H](C)CC[NH3+])cc1OC ZINC000414874300 295828897 /nfs/dbraw/zinc/82/88/97/295828897.db2.gz ASNBWTLJOGFJTQ-LLVKDONJSA-N 2 0 300.830 2.964 20 0 DFADRP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC000073112956 398662837 /nfs/dbraw/zinc/66/28/37/398662837.db2.gz ATDLAGVCEZRAIT-SQNIBIBYSA-N 2 0 321.509 2.584 20 0 DFADRP C[C@@H](Cc1ccc(Br)cc1F)[NH2+]CCCC[NH3+] ZINC000414898809 295832066 /nfs/dbraw/zinc/83/20/66/295832066.db2.gz FBOUJJVCLNHZEF-JTQLQIEISA-N 2 0 303.219 2.848 20 0 DFADRP CCCc1ccc([C@H](C)[NH2+]CCCN2CC[NH+](C)CC2)cc1 ZINC000120408645 282786311 /nfs/dbraw/zinc/78/63/11/282786311.db2.gz WTOCLJYCVNPDKT-KRWDZBQOSA-N 2 0 303.494 2.927 20 0 DFADRP C[C@@H](Cc1ccc(Br)cc1F)[NH2+]C[C@H]1CC[NH2+]C1 ZINC000414918405 295834824 /nfs/dbraw/zinc/83/48/24/295834824.db2.gz UDENQJNBCWEXBJ-QWRGUYRKSA-N 2 0 315.230 2.718 20 0 DFADRP CC[N@@H+]1CC[C@H](C[NH2+][C@@H](C)CCc2ccc(OC)c(O)c2)C1 ZINC000277187219 213353848 /nfs/dbraw/zinc/35/38/48/213353848.db2.gz IJAZBIQXVYAYES-GOEBONIOSA-N 2 0 306.450 2.653 20 0 DFADRP [NH3+][C@@H]1CCC[C@@H]([NH2+]Cc2ccc(OCC(F)(F)F)cc2)C1 ZINC000414925805 295836226 /nfs/dbraw/zinc/83/62/26/295836226.db2.gz MICHQUJYEBAMEH-CHWSQXEVSA-N 2 0 302.340 2.987 20 0 DFADRP CCOc1cc(C[NH2+][C@@H]2CC[NH2+]C[C@H]2C)ccc1OC(F)F ZINC000414950022 295839131 /nfs/dbraw/zinc/83/91/31/295839131.db2.gz FQOXYQWIUAPFFQ-DGCLKSJQSA-N 2 0 314.376 2.774 20 0 DFADRP c1nc(-c2ccncc2)sc1C[NH2+]CCC[C@@H]1CCC[NH2+]1 ZINC000414963091 295841523 /nfs/dbraw/zinc/84/15/23/295841523.db2.gz COODRQKKSUMRIE-CQSZACIVSA-N 2 0 302.447 2.827 20 0 DFADRP COCC1(C[NH2+]C[C@@H](C)CCc2ccccc2)CC[NH2+]CC1 ZINC000414973587 295842761 /nfs/dbraw/zinc/84/27/61/295842761.db2.gz LEYICDFPWIWYDR-KRWDZBQOSA-N 2 0 304.478 2.861 20 0 DFADRP CC(C)[N@H+](C)CC1CC[NH+](Cc2cn3ccccc3n2)CC1 ZINC000590786177 398673952 /nfs/dbraw/zinc/67/39/52/398673952.db2.gz FQANIBIYFIELBW-UHFFFAOYSA-N 2 0 300.450 2.887 20 0 DFADRP CCn1nc(C[NH2+]CC[C@@H]2CCC[N@H+](C)C2)c2ccccc21 ZINC000459778588 299189521 /nfs/dbraw/zinc/18/95/21/299189521.db2.gz LCPPRESZSKZVEW-HNNXBMFYSA-N 2 0 300.450 2.878 20 0 DFADRP COc1ccc(C[C@@H](C)C[NH2+][C@H]2CC[NH2+]CC2(C)C)cc1F ZINC000414974583 295843215 /nfs/dbraw/zinc/84/32/15/295843215.db2.gz NRZBYBZUIOCPDG-DYVFJYSZSA-N 2 0 308.441 2.991 20 0 DFADRP c1cnc(Oc2ccc(C[NH2+]CCC[C@H]3CCC[NH2+]3)cc2)cn1 ZINC000414977253 295843347 /nfs/dbraw/zinc/84/33/47/295843347.db2.gz QVUGKDBQPXDKGR-INIZCTEOSA-N 2 0 312.417 2.891 20 0 DFADRP COCC1(C[NH2+]Cc2ccc(OCC(C)C)cc2)CC[NH2+]CC1 ZINC000414980673 295843676 /nfs/dbraw/zinc/84/36/76/295843676.db2.gz WHSWESQLNSINSQ-UHFFFAOYSA-N 2 0 320.477 2.827 20 0 DFADRP CCc1noc(C2CCC([NH2+]CCC[C@@H]3CCC[NH2+]3)CC2)n1 ZINC000414980387 295843695 /nfs/dbraw/zinc/84/36/95/295843695.db2.gz WNCZSDLVGBDKEV-SLTAFYQDSA-N 2 0 306.454 2.780 20 0 DFADRP C[C@H](CCC1CCCC1)[NH2+]C[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000414995250 295845014 /nfs/dbraw/zinc/84/50/14/295845014.db2.gz VWUSLGJTBDKHGP-UKRRQHHQSA-N 2 0 321.431 2.771 20 0 DFADRP COc1ccc2c(c1)C[C@H]([NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1)CC2 ZINC000415003901 295846390 /nfs/dbraw/zinc/84/63/90/295846390.db2.gz GRXABNYFIKYNSI-NZSAHSFTSA-N 2 0 300.446 2.530 20 0 DFADRP COc1cc2c(c(C[NH2+]C[C@@H]3CCC[C@H]([NH3+])C3)c1)O[C@@H](C)C2 ZINC000415003111 295846244 /nfs/dbraw/zinc/84/62/44/295846244.db2.gz WOLVAAUFYPSCFD-ZENOOKHLSA-N 2 0 304.434 2.626 20 0 DFADRP CCc1noc(C2CCC([NH2+]C[C@@H]3CCC[C@@H]([NH3+])C3)CC2)n1 ZINC000415001266 295845785 /nfs/dbraw/zinc/84/57/85/295845785.db2.gz KTSXMTZCLBGWSK-FEWQNLEASA-N 2 0 306.454 2.765 20 0 DFADRP Cc1nc(COc2ccc(C[NH2+][C@H](C)CCCC[NH3+])cc2)no1 ZINC000415016014 295847623 /nfs/dbraw/zinc/84/76/23/295847623.db2.gz OTVLQQUFCYTRHW-CYBMUJFWSA-N 2 0 318.421 2.564 20 0 DFADRP CC[N@H+](C)C[C@H]1CC[NH+](CCC(=O)Nc2ccccc2Cl)C1 ZINC000072859245 191241336 /nfs/dbraw/zinc/24/13/36/191241336.db2.gz FGZUJLBZGMMADS-CQSZACIVSA-N 2 0 323.868 2.942 20 0 DFADRP COc1ccc(C[NH2+][C@@H](C)CCCC[NH3+])c(OC(F)F)c1 ZINC000415013862 295847402 /nfs/dbraw/zinc/84/74/02/295847402.db2.gz LIUBCMRBGNKOHV-NSHDSACASA-N 2 0 302.365 2.904 20 0 DFADRP C[C@H](CC(=O)Nc1ccc(F)cc1)[NH2+]C[C@H]1CCC[C@@H]([NH3+])C1 ZINC000415013971 295847421 /nfs/dbraw/zinc/84/74/21/295847421.db2.gz ZBNMIDSERUEZBO-VNHYZAJKSA-N 2 0 307.413 2.650 20 0 DFADRP COc1cccc(NC(=O)C[C@@H](C)[NH2+][C@H](C)CCCC[NH3+])c1 ZINC000415014218 295847476 /nfs/dbraw/zinc/84/74/76/295847476.db2.gz LPLJILVSDXZUIJ-ZIAGYGMSSA-N 2 0 307.438 2.519 20 0 DFADRP C[NH+](C)CCCC1CC[NH+](CC(=O)NCC2CCCCC2)CC1 ZINC000123186775 282843239 /nfs/dbraw/zinc/84/32/39/282843239.db2.gz VCPPKWSBXMGHKT-UHFFFAOYSA-N 2 0 323.525 2.737 20 0 DFADRP C[C@@H](CC(=O)N(C)c1ccccc1)[NH2+]CC[C@@H]1CCC[N@H+](C)C1 ZINC000459789186 299193322 /nfs/dbraw/zinc/19/33/22/299193322.db2.gz QHESURUDEJSWOA-IRXDYDNUSA-N 2 0 317.477 2.750 20 0 DFADRP [NH3+]C[C@@H]1CC[C@H]([NH2+]Cc2ccccc2OCc2ccccn2)C1 ZINC000415048295 295851028 /nfs/dbraw/zinc/85/10/28/295851028.db2.gz WSWZBCSLJMAOQY-WBVHZDCISA-N 2 0 311.429 2.878 20 0 DFADRP COc1c(O)cccc1C[NH2+][C@@H](CCC[NH3+])c1ccccc1 ZINC000415048094 295851136 /nfs/dbraw/zinc/85/11/36/295851136.db2.gz FOHBHTPRRKROMI-INIZCTEOSA-N 2 0 300.402 2.971 20 0 DFADRP COc1ccc(Br)c(C[NH2+][C@@H]2CC[C@@H](C[NH3+])C2)c1 ZINC000415045491 295850725 /nfs/dbraw/zinc/85/07/25/295850725.db2.gz UCPQICIPTSGAQD-ZYHUDNBSSA-N 2 0 313.239 2.675 20 0 DFADRP CCc1ccccc1NC(=O)C[C@H](C)[NH2+][C@H]1CC[C@H](C[NH3+])C1 ZINC000415046387 295850800 /nfs/dbraw/zinc/85/08/00/295850800.db2.gz VENQMKQOSXBTLS-DZKIICNBSA-N 2 0 303.450 2.683 20 0 DFADRP [NH3+]CCC[C@@H]([NH2+]C1CCN(CC(F)F)CC1)c1ccccc1 ZINC000415056771 295852449 /nfs/dbraw/zinc/85/24/49/295852449.db2.gz QRMHEOVZWYBKBP-MRXNPFEDSA-N 2 0 311.420 2.786 20 0 DFADRP CC(C)Oc1ccc([C@H]2CCC[C@@H]2[NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)cc1 ZINC000415062687 295853436 /nfs/dbraw/zinc/85/34/36/295853436.db2.gz MTBSLVKDJUAJEH-GFEQUFNTSA-N 2 0 300.446 2.917 20 0 DFADRP COc1ccc(C[NH2+][C@@H](CCC[NH3+])c2ccccc2)cc1O ZINC000415072695 295854670 /nfs/dbraw/zinc/85/46/70/295854670.db2.gz YOVLPNQHYBXKFK-INIZCTEOSA-N 2 0 300.402 2.971 20 0 DFADRP COc1ccc(OCC[NH2+][C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)cc1 ZINC000415075760 295854929 /nfs/dbraw/zinc/85/49/29/295854929.db2.gz ACBJQKPFHNCIRD-KZNAEPCWSA-N 2 0 304.434 2.584 20 0 DFADRP C[C@@H]1C[C@@H](C[NH+]2CCC3(CC2)OCCc2ccccc23)CC[NH2+]1 ZINC000415109883 295859077 /nfs/dbraw/zinc/85/90/77/295859077.db2.gz SAHPYIGAHLMBST-SJORKVTESA-N 2 0 314.473 2.939 20 0 DFADRP COc1ccc2c(c1)OC[C@H]([NH2+][C@H](C)C[C@H]1CCCCC[NH2+]1)C2 ZINC000415113791 295859615 /nfs/dbraw/zinc/85/96/15/295859615.db2.gz SNZVXMKDBFYDAC-DJIMGWMZSA-N 2 0 318.461 2.899 20 0 DFADRP CC[NH+]1CCN(c2ccc(NCC3CC[NH2+]CC3)c(C)c2)CC1 ZINC000415127857 295862165 /nfs/dbraw/zinc/86/21/65/295862165.db2.gz WLACNSMXCRUYDA-UHFFFAOYSA-N 2 0 316.493 2.548 20 0 DFADRP CC(C)[NH+]1CCN([C@@H]2CC[N@H+](CCC(C)(C)C3CC3)C2)CC1 ZINC000593959131 398708666 /nfs/dbraw/zinc/70/86/66/398708666.db2.gz GZHOKAKZQDRHME-GOSISDBHSA-N 2 0 307.526 2.913 20 0 DFADRP CN(C(=O)c1ccc(Nc2cc[nH+]cc2)cc1)[C@@H]1CCC[N@H+](C)C1 ZINC000073988487 398715648 /nfs/dbraw/zinc/71/56/48/398715648.db2.gz HPYHCFHBDKYRAI-GOSISDBHSA-N 2 0 324.428 2.991 20 0 DFADRP COC1(C[NH2+]CC[C@H](C)[N@H+](C)Cc2ccccc2)CCOCC1 ZINC000277052884 213264790 /nfs/dbraw/zinc/26/47/90/213264790.db2.gz QPKKNZKCDIGZID-KRWDZBQOSA-N 2 0 320.477 2.682 20 0 DFADRP CCC(CC)(C[NH3+])NC(=O)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000236769805 202001339 /nfs/dbraw/zinc/00/13/39/202001339.db2.gz JEDUOKSEEKDBTK-QGZVFWFLSA-N 2 0 317.477 2.532 20 0 DFADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]CCc1ccc(-n2cccn2)cc1 ZINC000129574960 283021577 /nfs/dbraw/zinc/02/15/77/283021577.db2.gz GTZPDPCQCPNSEY-MDZRGWNJSA-N 2 0 312.461 2.733 20 0 DFADRP C[NH+](C)C1CCN(CC[NH2+][C@H]2CCC[C@@H](C(F)(F)F)C2)CC1 ZINC000130137178 283040606 /nfs/dbraw/zinc/04/06/06/283040606.db2.gz YFZQQYUBUUGYJI-KGLIPLIRSA-N 2 0 321.431 2.723 20 0 DFADRP C[NH+](C)C1CCN(CC[NH2+][C@@H]2CCC[C@H](C(F)(F)F)C2)CC1 ZINC000130136572 283040617 /nfs/dbraw/zinc/04/06/17/283040617.db2.gz YFZQQYUBUUGYJI-UONOGXRCSA-N 2 0 321.431 2.723 20 0 DFADRP CN1CC[NH+](CCCC[NH2+][C@H]2CC[C@@H](c3ccccc3)C2)CC1 ZINC000130483418 283050561 /nfs/dbraw/zinc/05/05/61/283050561.db2.gz VOPKHNONRSGRSD-UXHICEINSA-N 2 0 315.505 2.940 20 0 DFADRP Cc1nccn1CCCN(C)Cc1noc(-c2ccccc2)n1 ZINC000130642300 283055743 /nfs/dbraw/zinc/05/57/43/283055743.db2.gz UWDNTOHGKOBIGY-UHFFFAOYSA-N 2 0 311.389 2.764 20 0 DFADRP OCC[NH+]1CCC(C[NH2+][C@H]2CC[C@@H](c3ccccc3)C2)CC1 ZINC000131281198 283078474 /nfs/dbraw/zinc/07/84/74/283078474.db2.gz KHTHLFFVSVBBBP-MOPGFXCFSA-N 2 0 302.462 2.617 20 0 DFADRP CC(C)[C@H](CC[N@H+](C)CCn1ccnc1)NC(=O)OC(C)(C)C ZINC000131631833 283092091 /nfs/dbraw/zinc/09/20/91/283092091.db2.gz VEEGTWMAJOJCKW-HNNXBMFYSA-N 2 0 324.469 2.754 20 0 DFADRP C[NH2+]Cc1cccc(NC(=O)NC2CC[NH+](C(C)(C)C)CC2)c1 ZINC000415918257 295901807 /nfs/dbraw/zinc/90/18/07/295901807.db2.gz KPUXHEPFNHBYMV-UHFFFAOYSA-N 2 0 318.465 2.790 20 0 DFADRP C[NH2+]Cc1ccccc1NC(=O)N(C)CC[NH+](C(C)C)C(C)C ZINC000415916454 295901904 /nfs/dbraw/zinc/90/19/04/295901904.db2.gz BOSDYMPZYNLWLV-UHFFFAOYSA-N 2 0 320.481 2.989 20 0 DFADRP C[NH2+]Cc1cccc(NC(=O)NCCCCC[NH+]2CCCC2)c1 ZINC000415927883 295903255 /nfs/dbraw/zinc/90/32/55/295903255.db2.gz GHZQJRRFBNSKEU-UHFFFAOYSA-N 2 0 318.465 2.794 20 0 DFADRP CC(C)[NH+]1CCC(Nc2ccc(OCC[NH+](C)C)cc2)CC1 ZINC000236822481 202027093 /nfs/dbraw/zinc/02/70/93/202027093.db2.gz GAGXZBPMWFOFOR-UHFFFAOYSA-N 2 0 305.466 2.912 20 0 DFADRP CC[NH+]1CCC(CCNC(=O)Nc2ccc(C[NH2+]C)cc2)CC1 ZINC000415976056 295907811 /nfs/dbraw/zinc/90/78/11/295907811.db2.gz VGTUDFWSZVWAEE-UHFFFAOYSA-N 2 0 318.465 2.650 20 0 DFADRP CCCc1ccc(C[NH2+][C@@H](C)CCN2CC[NH+](C)CC2)cc1 ZINC000681135953 545601906 /nfs/dbraw/zinc/60/19/06/545601906.db2.gz KGFNGQCLKIYHMA-KRWDZBQOSA-N 2 0 303.494 2.755 20 0 DFADRP C[N@@H+]1CC[C@H]([NH2+]C[C@]2(CO)C[C@@H]2c2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000353640729 283138848 /nfs/dbraw/zinc/13/88/48/283138848.db2.gz HNMKIXIMOPIHJM-WPVAHCMFSA-N 2 0 314.473 2.615 20 0 DFADRP CN(Cc1ccccc1)C[C@H](O)C[N@@H+]1CCC[C@H]1C(C)(C)C ZINC000591472600 398765353 /nfs/dbraw/zinc/76/53/53/398765353.db2.gz ONLBRDRMMXUAGY-ROUUACIJSA-N 2 0 304.478 2.990 20 0 DFADRP CC[C@H]1CCCCN1C(=O)C[NH+]1CCC(C[NH+](CC)CC)CC1 ZINC000047976638 398767432 /nfs/dbraw/zinc/76/74/32/398767432.db2.gz GNRUBFXZHDILSJ-SFHVURJKSA-N 2 0 323.525 2.831 20 0 DFADRP CC[NH+](CC)[C@@H](CNC(=O)[C@@H]([NH3+])c1ccccc1)CC(C)C ZINC000236827837 202028329 /nfs/dbraw/zinc/02/83/29/202028329.db2.gz OJPOSIKVDHQHHH-SJORKVTESA-N 2 0 305.466 2.559 20 0 DFADRP CC[NH+](CC)C[C@@H]1CCN(C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC000081333797 192252257 /nfs/dbraw/zinc/25/22/57/192252257.db2.gz JTIZRBDUBHDXBR-KRWDZBQOSA-N 2 0 317.477 2.552 20 0 DFADRP CC[NH+](CC)Cc1ccc(C(=O)NCC(C)(C)C[NH+](C)C)cc1 ZINC000048077924 398772139 /nfs/dbraw/zinc/77/21/39/398772139.db2.gz AHQKMLNNZHKBMA-UHFFFAOYSA-N 2 0 319.493 2.846 20 0 DFADRP CCC[N@H+](C)C[C@@H]1CC[NH+](CCC(=O)Nc2ccccc2)C1 ZINC000081578743 192295571 /nfs/dbraw/zinc/29/55/71/192295571.db2.gz LUQZKRYOPJBGKO-INIZCTEOSA-N 2 0 303.450 2.679 20 0 DFADRP CCC(CC)(CNC(=O)[C@@H]([NH3+])C(C)C)[NH2+][C@H](C)c1ccccc1 ZINC000236856807 202039112 /nfs/dbraw/zinc/03/91/12/202039112.db2.gz LVLGCCLBEMSLRK-WBVHZDCISA-N 2 0 319.493 2.996 20 0 DFADRP CC[N@H+](C)Cc1cccc(CNC(=O)c2ccc(C[NH3+])cc2)c1 ZINC000236877715 202047666 /nfs/dbraw/zinc/04/76/66/202047666.db2.gz FOZOLLVYXQNXJL-UHFFFAOYSA-N 2 0 311.429 2.527 20 0 DFADRP CC[NH+](CC)CCC[C@H](C)NC(=O)C[C@@H]([NH3+])c1ccccc1 ZINC000236858221 202040354 /nfs/dbraw/zinc/04/03/54/202040354.db2.gz UGXHRFZLDGPMKE-DOTOQJQBSA-N 2 0 305.466 2.703 20 0 DFADRP C[NH+](C)CCOc1ccc(C[NH2+]Cc2cnn3ccccc23)cc1 ZINC000591695624 398781348 /nfs/dbraw/zinc/78/13/48/398781348.db2.gz FAOORSLMFHXJHU-UHFFFAOYSA-N 2 0 324.428 2.565 20 0 DFADRP CC[NH+](CC)Cc1ccc(CNC(=O)[C@@H]([NH3+])CC(C)C)cc1 ZINC000236904874 202062995 /nfs/dbraw/zinc/06/29/95/202062995.db2.gz NGALBAXMEQCYAB-KRWDZBQOSA-N 2 0 305.466 2.518 20 0 DFADRP CC[NH+](CC)Cc1ccccc1CNC(=O)[C@H]1CCC[C@H]([NH3+])C1 ZINC000236909066 202065731 /nfs/dbraw/zinc/06/57/31/202065731.db2.gz QODHDEGBKRAUPX-YJBOKZPZSA-N 2 0 317.477 2.662 20 0 DFADRP CC[NH+](CC)Cc1cccc(NC(=O)C[C@@H]2CSCC[NH2+]2)c1 ZINC000236928444 202076597 /nfs/dbraw/zinc/07/65/97/202076597.db2.gz SRDLYJMTGUQPIN-MRXNPFEDSA-N 2 0 321.490 2.562 20 0 DFADRP CCc1ccc([C@@H](CNC(=O)C2([NH3+])CCCCC2)[NH+](C)C)cc1 ZINC000236958586 202093322 /nfs/dbraw/zinc/09/33/22/202093322.db2.gz VLHDYLXKPANXNY-QGZVFWFLSA-N 2 0 317.477 2.630 20 0 DFADRP C[NH+](C)CC[C@@H](NC(=O)C[C@H]([NH3+])c1ccccc1)C(C)(C)C ZINC000236982826 202106671 /nfs/dbraw/zinc/10/66/71/202106671.db2.gz JHJBNPPVROCHHF-JKSUJKDBSA-N 2 0 305.466 2.559 20 0 DFADRP Cc1ccc(C[NH+](C)C)cc1NC(=O)[C@@H]([NH3+])Cc1ccccc1 ZINC000237050962 202136315 /nfs/dbraw/zinc/13/63/15/202136315.db2.gz YEJMXPZUXCFQSM-KRWDZBQOSA-N 2 0 311.429 2.565 20 0 DFADRP CC[C@H](C)[C@@H]([NH3+])C(=O)NC1CCC([NH+]2CCC(C)CC2)CC1 ZINC000237057666 202137182 /nfs/dbraw/zinc/13/71/82/202137182.db2.gz BCRGVLBXZQIKNC-ZGRYLRDCSA-N 2 0 309.498 2.519 20 0 DFADRP CCC[NH+](CCC)CCCC(=O)N1CCC[C@@H]1[C@@H]1CCC[N@@H+]1C ZINC000361272592 283208826 /nfs/dbraw/zinc/20/88/26/283208826.db2.gz QCWPJXOHIDXZDZ-ZWKOTPCHSA-N 2 0 323.525 2.974 20 0 DFADRP CCC[NH+](CCC)CCCC(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000154523409 283209501 /nfs/dbraw/zinc/20/95/01/283209501.db2.gz DXIQMVGUBCOIRZ-ZWKOTPCHSA-N 2 0 323.525 2.831 20 0 DFADRP Cc1ccc([C@H](CNC(=O)CCCCCC[NH3+])[NH+](C)C)cc1 ZINC000237135111 202162541 /nfs/dbraw/zinc/16/25/41/202162541.db2.gz RXZXDNPXEDEEJS-KRWDZBQOSA-N 2 0 305.466 2.623 20 0 DFADRP CCC[C@@H](C)[C@@H]1CCC[N@@H+]1CC(=O)NC1CC[NH+](C(C)C)CC1 ZINC000135348845 283216364 /nfs/dbraw/zinc/21/63/64/283216364.db2.gz CYFRDXYDHAQKTE-AEFFLSMTSA-N 2 0 323.525 2.876 20 0 DFADRP CC[NH+](CC)Cc1ccccc1C[NH2+][C@H](C)Cn1cccn1 ZINC000137976305 283255653 /nfs/dbraw/zinc/25/56/53/283255653.db2.gz ZHCWSRHPCWJOOO-MRXNPFEDSA-N 2 0 300.450 2.903 20 0 DFADRP [NH2+]=C(NC[C@@H]1CCC[N@@H+]1CCc1ccccc1)Nc1ccccn1 ZINC000365858462 283262945 /nfs/dbraw/zinc/26/29/45/283262945.db2.gz BRCVGPOESVJNLM-KRWDZBQOSA-N 2 0 323.444 2.725 20 0 DFADRP C[C@@H]([NH2+]CC1CC[NH+](Cc2ccccc2)CC1)[C@H]1CCOC1 ZINC000178634681 198901198 /nfs/dbraw/zinc/90/11/98/198901198.db2.gz CKBDGDMXVWJRED-APWZRJJASA-N 2 0 302.462 2.913 20 0 DFADRP CCC[NH+]1CCN(c2ccccc2C[NH2+]CCCOCC)CC1 ZINC000151288232 283279831 /nfs/dbraw/zinc/27/98/31/283279831.db2.gz GVJQUUTUCUMPRD-UHFFFAOYSA-N 2 0 319.493 2.735 20 0 DFADRP O[C@H](C[N@@H+](Cc1ccccc1)CC1CC[NH2+]CC1)c1ccco1 ZINC000178976667 198963290 /nfs/dbraw/zinc/96/32/90/198963290.db2.gz FZLJPLHSRYGIEB-GOSISDBHSA-N 2 0 314.429 2.815 20 0 DFADRP COC(=O)c1ccc2c(c1)[C@@H]([NH2+]CCC[NH+]1CCCC1)CCC2 ZINC000594491128 398808094 /nfs/dbraw/zinc/80/80/94/398808094.db2.gz WGORRDSAXNTLPW-SFHVURJKSA-N 2 0 316.445 2.926 20 0 DFADRP COC(=O)c1ccc2c(c1)[C@@H]([NH2+]CC1CC[NH+](C)CC1)CCC2 ZINC000594496074 398809481 /nfs/dbraw/zinc/80/94/81/398809481.db2.gz YXGPZCFRYKLWOM-SFHVURJKSA-N 2 0 316.445 2.782 20 0 DFADRP COc1ccc(C[C@H](C)C[NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)cc1OC ZINC000179507533 199047941 /nfs/dbraw/zinc/04/79/41/199047941.db2.gz SBGUYRISICUGBK-UXLLHSPISA-N 2 0 320.477 2.955 20 0 DFADRP Cc1ccc(NCCCNC(=O)[C@H](C)[N@H+]2[C@H](C)CC[C@@H]2C)nc1 ZINC000127720359 398822704 /nfs/dbraw/zinc/82/27/04/398822704.db2.gz NDRHYGCEYDYUKO-XHSDSOJGSA-N 2 0 318.465 2.570 20 0 DFADRP CC[NH+]1CCC(CC[NH2+]Cc2cc(C(=O)OC)oc2C)CC1 ZINC000594608976 398831686 /nfs/dbraw/zinc/83/16/86/398831686.db2.gz OZHMIZVDYGPNCI-UHFFFAOYSA-N 2 0 308.422 2.586 20 0 DFADRP COCC[N@H+](C)CCCN[C@@H](c1ccccc1)c1ccccn1 ZINC000180104200 199117886 /nfs/dbraw/zinc/11/78/86/199117886.db2.gz DELKLUOLKWNHPA-IBGZPJMESA-N 2 0 313.445 2.729 20 0 DFADRP CC[C@@H]([NH3+])C(=O)NCc1ccccc1C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000130321346 398843704 /nfs/dbraw/zinc/84/37/04/398843704.db2.gz RFMXQEBOQLZMEN-RVKKMQEKSA-N 2 0 317.477 2.518 20 0 DFADRP CCC[NH+]1CCN(C2CC[NH+]([C@H](C)c3cccnc3)CC2)CC1 ZINC000369156725 283347434 /nfs/dbraw/zinc/34/74/34/283347434.db2.gz POEQZOGFIIZKSR-QGZVFWFLSA-N 2 0 316.493 2.635 20 0 DFADRP C[C@H](CC(=O)NC[C@]1([NH+](C)C)CCC[C@@H](C)C1)[C@@H]1CCC[NH2+]C1 ZINC000237367296 202245161 /nfs/dbraw/zinc/24/51/61/202245161.db2.gz OMACITXINHCRRE-MTNOOBJLSA-N 2 0 323.525 2.639 20 0 DFADRP CC[N@H+](CCC[NH2+][C@H](C)[C@@H]1C[C@H]1C(=O)OC)C1CCCCC1 ZINC000594944684 398878644 /nfs/dbraw/zinc/87/86/44/398878644.db2.gz BCLCFDXBWCIUOW-HYVNUMGLSA-N 2 0 310.482 2.818 20 0 DFADRP Cc1ccc2c(c1)[C@H]([NH2+]CCN1CCC([NH+](C)C)CC1)[C@@H](C)C2 ZINC000180712469 199199977 /nfs/dbraw/zinc/19/99/77/199199977.db2.gz NLFWJFHAKPMNMG-OXJNMPFZSA-N 2 0 315.505 2.844 20 0 DFADRP CC[N@H+](Cc1ccc(C(=O)N2C[C@@H](C)[NH2+][C@@H](C)C2)cc1)C(C)C ZINC000153681724 283373721 /nfs/dbraw/zinc/37/37/21/283373721.db2.gz FWZHYCZCEZWQAJ-IYBDPMFKSA-N 2 0 317.477 2.739 20 0 DFADRP C[NH+]1CCC(O)(C[NH2+][C@H]2CCC[C@H]2CCc2ccccc2)CC1 ZINC000468551769 299280167 /nfs/dbraw/zinc/28/01/67/299280167.db2.gz FBLRNHOXRLGQKV-OALUTQOASA-N 2 0 316.489 2.834 20 0 DFADRP Cc1cccc(C)c1C[N@@H+](C)CCN(C)C1CC[NH+](C)CC1 ZINC000180962935 199233871 /nfs/dbraw/zinc/23/38/71/199233871.db2.gz CLMDANKCROKKIG-UHFFFAOYSA-N 2 0 303.494 2.761 20 0 DFADRP [NH3+]CC1(C(=O)Nc2ccc(CC[NH+]3CCCC3)cc2)CCCC1 ZINC000165922077 283382474 /nfs/dbraw/zinc/38/24/74/283382474.db2.gz CRVXZMNGIJCUDW-UHFFFAOYSA-N 2 0 315.461 2.783 20 0 DFADRP CC1CCC(O)(C[NH+]2CCC(OCC[NH+]3CCCC3)CC2)CC1 ZINC000173951954 283391529 /nfs/dbraw/zinc/39/15/29/283391529.db2.gz NLRJFXAHLVQIAF-UHFFFAOYSA-N 2 0 324.509 2.504 20 0 DFADRP O[C@@H]1CCCC[C@H]1[NH2+][C@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000186789315 200010921 /nfs/dbraw/zinc/01/09/21/200010921.db2.gz WOBKMHWOVIVDIS-OUUBHVDSSA-N 2 0 314.473 2.790 20 0 DFADRP CCC[NH+]1CCC([NH2+]CC2(C(=O)OC(C)(C)C)CCC2)CC1 ZINC000595101352 398905325 /nfs/dbraw/zinc/90/53/25/398905325.db2.gz ZUGPBCKXRWEULF-UHFFFAOYSA-N 2 0 310.482 2.962 20 0 DFADRP C[NH+]1CCC(O)(C[NH2+]Cc2ccc(Cl)cc2Cl)CC1 ZINC000077450368 398904654 /nfs/dbraw/zinc/90/46/54/398904654.db2.gz NSNCNTRZVXLFCS-UHFFFAOYSA-N 2 0 303.233 2.540 20 0 DFADRP c1cc(CCC[NH2+][C@@H]2CC[N@@H+]3CCCC[C@H]23)cc2c1OCC2 ZINC000281015202 216023814 /nfs/dbraw/zinc/02/38/14/216023814.db2.gz YYHAASUFGLLRTI-QZTJIDSGSA-N 2 0 300.446 2.771 20 0 DFADRP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1[NH2+]CCC(C)(C)O ZINC000276284866 212776743 /nfs/dbraw/zinc/77/67/43/212776743.db2.gz UQKCTVRZGBXIFN-HZPDHXFCSA-N 2 0 304.478 2.894 20 0 DFADRP c1cc(CCC[NH2+][C@@H]2CC[N@@H+]3CCCC[C@@H]23)cc2c1OCC2 ZINC000281015200 216024207 /nfs/dbraw/zinc/02/42/07/216024207.db2.gz YYHAASUFGLLRTI-MSOLQXFVSA-N 2 0 300.446 2.771 20 0 DFADRP CCCC[NH+]1CCC([NH2+]C2CCC(CC(=O)OC)CC2)CC1 ZINC000599030649 398910323 /nfs/dbraw/zinc/91/03/23/398910323.db2.gz HCJKFXHRFMCDEY-UHFFFAOYSA-N 2 0 310.482 2.962 20 0 DFADRP CCCc1cccc(C[NH2+]CCN2CCC([NH+](C)C)CC2)c1 ZINC000187281071 200088442 /nfs/dbraw/zinc/08/84/42/200088442.db2.gz GBQCLHPNQNMGJF-UHFFFAOYSA-N 2 0 303.494 2.755 20 0 DFADRP COC(=O)CC1CCC([NH2+]CCC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000599021990 398909202 /nfs/dbraw/zinc/90/92/02/398909202.db2.gz MRFSSFLPNKRCNW-GTPINHCMSA-N 2 0 310.482 2.962 20 0 DFADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+][C@H](C)Cc2ccccc2F)CC1 ZINC000187956969 200182809 /nfs/dbraw/zinc/18/28/09/200182809.db2.gz FDQNOMWKARSHSX-DLBZAZTESA-N 2 0 321.484 2.620 20 0 DFADRP COC(=O)CC1CCC([NH2+][C@H]2CCCN3CCCC[C@H]23)CC1 ZINC000599056381 398914485 /nfs/dbraw/zinc/91/44/85/398914485.db2.gz XSTCTWMWEXGLIO-SJJHQCBESA-N 2 0 308.466 2.715 20 0 DFADRP C[C@@H]1CN(Cc2ccccc2)CCN1C(=O)CCCCCC[NH3+] ZINC000237511349 202267666 /nfs/dbraw/zinc/26/76/66/202267666.db2.gz YLQDGUFVQMEUCO-QGZVFWFLSA-N 2 0 317.477 2.629 20 0 DFADRP C[C@H](CC(=O)NCCCC[N@@H+]1CCC[C@@H](C)C1)[C@@H]1CCC[NH2+]C1 ZINC000237535935 202275320 /nfs/dbraw/zinc/27/53/20/202275320.db2.gz NNBPLCVQEYLTON-KZNAEPCWSA-N 2 0 323.525 2.641 20 0 DFADRP CC[NH+](CC)[C@@H](CNC(=O)c1c[nH+]ccc1N)c1ccsc1 ZINC000188070692 200190036 /nfs/dbraw/zinc/19/00/36/200190036.db2.gz RLXLGWBFSICJQW-HNNXBMFYSA-N 2 0 318.446 2.538 20 0 DFADRP Cc1cccc2nc(CNC(=O)[C@@H](C)[C@H]([NH3+])c3ccccc3)cn21 ZINC000237579336 202289537 /nfs/dbraw/zinc/28/95/37/202289537.db2.gz CRBUGQYKLGIHKD-KSSFIOAISA-N 2 0 322.412 2.595 20 0 DFADRP C[C@H](CC(C)(C)c1ccccc1)[NH2+]CCCN1CC[NH+](C)CC1 ZINC000237603028 202301268 /nfs/dbraw/zinc/30/12/68/202301268.db2.gz PHQAXKITQCSITD-GOSISDBHSA-N 2 0 317.521 2.970 20 0 DFADRP C[C@H](CC(=O)NCCCC[N@@H+]1CCCC[C@@H]1C)C1CC[NH2+]CC1 ZINC000237618906 202307436 /nfs/dbraw/zinc/30/74/36/202307436.db2.gz GXDQLOSBYPEODN-SJORKVTESA-N 2 0 323.525 2.783 20 0 DFADRP [NH3+][C@@H]1CCC[C@@H](C(=O)NC[C@@H](c2cccs2)[NH+]2CCCC2)C1 ZINC000237870648 202375572 /nfs/dbraw/zinc/37/55/72/202375572.db2.gz XAQSUBNKXCIKRP-KFWWJZLASA-N 2 0 321.490 2.519 20 0 DFADRP Cc1nccn1-c1ccc([C@@H](C)[NH2+]CCc2cncn2C)cc1 ZINC000471776032 299303592 /nfs/dbraw/zinc/30/35/92/299303592.db2.gz WJVHPXQDHCRNDJ-CQSZACIVSA-N 3 0 309.417 2.808 20 0 DFADRP C[C@H]([NH2+]C[C@@H](O)C[NH+]1CCCC1)C12CC3CC(CC(C3)C1)C2 ZINC000314743712 299303145 /nfs/dbraw/zinc/30/31/45/299303145.db2.gz SEFIUMJNBWZWFL-RZVNPHJZSA-N 2 0 306.494 2.638 20 0 DFADRP Cc1ccc(F)cc1C[N@@H+](C)CCN(C)C1CC[NH+](C)CC1 ZINC000189288332 200376471 /nfs/dbraw/zinc/37/64/71/200376471.db2.gz WBONYYBFJCGMTQ-UHFFFAOYSA-N 2 0 307.457 2.592 20 0 DFADRP C[C@@H]([NH2+]CCN1CC=CCC1)c1cccc(OCC[NH+](C)C)c1 ZINC000281222610 216165361 /nfs/dbraw/zinc/16/53/61/216165361.db2.gz UDESWHRMSLGNND-QGZVFWFLSA-N 2 0 317.477 2.540 20 0 DFADRP [NH3+]C[C@H](Cc1ccccc1)[C@H]1CCCCN1C[C@H]1CCC[NH2+]C1 ZINC000471848530 299309678 /nfs/dbraw/zinc/30/96/78/299309678.db2.gz QPKWFXSZSIQJHE-SLFFLAALSA-N 2 0 315.505 2.658 20 0 DFADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)c1ccoc1C1CC1 ZINC000281265848 216195789 /nfs/dbraw/zinc/19/57/89/216195789.db2.gz NNHLLZLFTZDAAK-UHFFFAOYSA-N 2 0 321.465 2.503 20 0 DFADRP COC(=O)CCCC[N@@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000599283772 398947866 /nfs/dbraw/zinc/94/78/66/398947866.db2.gz CYSHQDUQHYZBEX-QGZVFWFLSA-N 2 0 310.482 2.918 20 0 DFADRP C[C@H](CCc1ccccc1)C[NH2+][C@H](C)CCN1CC[NH+](C)CC1 ZINC000472145370 299321286 /nfs/dbraw/zinc/32/12/86/299321286.db2.gz GMLNNJCEIFQNQH-RTBURBONSA-N 2 0 317.521 2.871 20 0 DFADRP C[NH+]1CCN(CCC[NH2+][C@H](c2ccc(F)cc2)C2CC2)CC1 ZINC000271892980 209300553 /nfs/dbraw/zinc/30/05/53/209300553.db2.gz WLYINXNRQZARAL-SFHVURJKSA-N 2 0 305.441 2.504 20 0 DFADRP C[C@@H]([NH2+]CCCCCCO)c1ccc(OCC[NH+](C)C)cc1 ZINC000271886330 209295628 /nfs/dbraw/zinc/29/56/28/209295628.db2.gz QSFCDIZYWCZCQB-MRXNPFEDSA-N 2 0 308.466 2.830 20 0 DFADRP C[C@H]([NH3+])CCC(=O)NC[C@@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC000193298130 201023040 /nfs/dbraw/zinc/02/30/40/201023040.db2.gz VVPIMTGYTMQCNJ-BBRMVZONSA-N 2 0 323.868 2.721 20 0 DFADRP C[C@@H]([NH3+])CCC(=O)Nc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000193295540 201023221 /nfs/dbraw/zinc/02/32/21/201023221.db2.gz ZQZULLMBFGRZCN-HUUCEWRRSA-N 2 0 303.450 2.984 20 0 DFADRP O[C@H]1CC[C@@H](C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC000193349128 201035544 /nfs/dbraw/zinc/03/55/44/201035544.db2.gz UVUYSVDQSNTNHD-NWJVMNJYSA-N 2 0 314.473 2.933 20 0 DFADRP CC[NH+](CC)Cc1ccc(C(=O)NCCC[NH+]2CCCC2)cc1 ZINC000078661673 398977891 /nfs/dbraw/zinc/97/78/91/398977891.db2.gz VWSGZBMIHQJSGR-UHFFFAOYSA-N 2 0 317.477 2.744 20 0 DFADRP COc1ccccc1OCC[NH+]1CCC(CC[NH+](C)C)CC1 ZINC000056521729 398976437 /nfs/dbraw/zinc/97/64/37/398976437.db2.gz SDIVWJRLJSVIMP-UHFFFAOYSA-N 2 0 306.450 2.738 20 0 DFADRP [NH3+][C@@H](CCC(=O)N[C@H]1CC[N@@H+](C2CCCC2)C1)c1ccccc1 ZINC000167717409 398995441 /nfs/dbraw/zinc/99/54/41/398995441.db2.gz YCLMDTLMUPNBRM-WMZOPIPTSA-N 2 0 315.461 2.600 20 0 DFADRP C[NH2+][C@@H](CC(C)(C)C)C(=O)N[C@@H](CCC[NH3+])c1ccccc1 ZINC000417830738 296055714 /nfs/dbraw/zinc/05/57/14/296055714.db2.gz JXHNPIFTDYCVPK-HOTGVXAUSA-N 2 0 305.466 2.607 20 0 DFADRP CCn1nncc1C[NH2+]Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000417840953 296056820 /nfs/dbraw/zinc/05/68/20/296056820.db2.gz MOJOBACZCPNLBV-UHFFFAOYSA-N 2 0 313.449 2.574 20 0 DFADRP Cc1ccc(NC(=O)CC[C@H]2CCC[NH2+]C2)c(C[NH+](C)C)c1 ZINC000621648960 399008613 /nfs/dbraw/zinc/00/86/13/399008613.db2.gz CBRZKMJZVCRSOG-OAHLLOKOSA-N 2 0 303.450 2.775 20 0 DFADRP CC[NH+]1CCN([C@H](C)C[NH2+][C@@H]2CCC[C@@H](C(F)(F)F)C2)CC1 ZINC000249281877 283780319 /nfs/dbraw/zinc/78/03/19/283780319.db2.gz NTUGEOQJMWFLDW-RBSFLKMASA-N 2 0 321.431 2.723 20 0 DFADRP C[C@@H]1CC[C@H](C)[N@H+]1[C@H]1CCCN(C(=O)CC[C@@H]2CCC[NH2+]C2)C1 ZINC000621659620 399012498 /nfs/dbraw/zinc/01/24/98/399012498.db2.gz NWVABMFTNVCVAD-MHORFTMASA-N 2 0 321.509 2.630 20 0 DFADRP O[C@H](Cc1ccc(F)cc1)C[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000292951937 223324245 /nfs/dbraw/zinc/32/42/45/223324245.db2.gz CADROBXZFHUVDK-RBUKOAKNSA-N 2 0 320.452 2.679 20 0 DFADRP CC[C@H](C[NH+]1CCCC1)NC(=O)c1ccc(C[NH+](CC)CC)o1 ZINC000605520454 399028648 /nfs/dbraw/zinc/02/86/48/399028648.db2.gz YQFUOQGCBAEBJT-OAHLLOKOSA-N 2 0 321.465 2.726 20 0 DFADRP COc1ccc([C@H]([NH2+]CCCN2CC[NH+](C)CC2)C(C)C)cc1 ZINC000091266639 193027773 /nfs/dbraw/zinc/02/77/73/193027773.db2.gz VLBDVUNZHKPTJR-LJQANCHMSA-N 2 0 319.493 2.619 20 0 DFADRP COc1ccc([C@@H]([NH2+]CCCN2CC[NH+](C)CC2)C(C)C)cc1 ZINC000091266638 193028730 /nfs/dbraw/zinc/02/87/30/193028730.db2.gz VLBDVUNZHKPTJR-IBGZPJMESA-N 2 0 319.493 2.619 20 0 DFADRP C[NH+](C)C1CCN(CC[NH2+][C@@H](c2ccccc2)C2CC2)CC1 ZINC000091367531 193047416 /nfs/dbraw/zinc/04/74/16/193047416.db2.gz HBRJZPTUPFSMRB-IBGZPJMESA-N 2 0 301.478 2.753 20 0 DFADRP CCCc1ccc(C[N@@H+]2CC[C@@H](CN3CCOCC3)C2)s1 ZINC000621717803 399043362 /nfs/dbraw/zinc/04/33/62/399043362.db2.gz OJQQXIRPAZOCQQ-HNNXBMFYSA-N 2 0 308.491 2.855 20 0 DFADRP COC(=O)[C@@H]1CC[N@H+](CCC[NH+]2CCCCC2)[C@@H]2CCC[C@@H]21 ZINC000599653088 399044682 /nfs/dbraw/zinc/04/46/82/399044682.db2.gz IUSGPXOWSRMGPH-BRWVUGGUSA-N 2 0 308.466 2.526 20 0 DFADRP C[C@]1(C[N@@H+]2CCC[C@@H]2c2ccc3c(c2)OCCO3)CC[NH2+]C1 ZINC000262107663 291380753 /nfs/dbraw/zinc/38/07/53/291380753.db2.gz WEIMWFLUMREVIF-QAPCUYQASA-N 2 0 302.418 2.594 20 0 DFADRP CC[NH+](CC)CCC[N@@H+]1CC[C@H](C(=O)OC)[C@@H]2CCCC[C@H]21 ZINC000595735073 399063394 /nfs/dbraw/zinc/06/33/94/399063394.db2.gz VKANTFAMCQMWEM-YESZJQIVSA-N 2 0 310.482 2.772 20 0 DFADRP Cc1ccccc1NC(=O)CC[NH+]1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000293106928 223399402 /nfs/dbraw/zinc/39/94/02/223399402.db2.gz YDOHYEVQKYGSHM-LJQANCHMSA-N 2 0 315.461 2.741 20 0 DFADRP [NH3+]C1CCC([NH2+]Cc2ccc(F)cc2Br)CC1 ZINC000220816570 201579991 /nfs/dbraw/zinc/57/99/91/201579991.db2.gz AKBKSDNYPKYHOU-UHFFFAOYSA-N 2 0 301.203 2.948 20 0 DFADRP C[C@@H]([NH2+]CCCC[NH+](C)C)c1cccc(N2CCOCC2)c1 ZINC000360852829 296121650 /nfs/dbraw/zinc/12/16/50/296121650.db2.gz IMXFYNOPIULOJX-MRXNPFEDSA-N 2 0 305.466 2.516 20 0 DFADRP Cc1cc(N2CCC(N(C)CC(=O)OC(C)(C)C)CC2)cc[nH+]1 ZINC000418944336 296121368 /nfs/dbraw/zinc/12/13/68/296121368.db2.gz NKRFYKXKCGZEDF-UHFFFAOYSA-N 2 0 319.449 2.632 20 0 DFADRP C[C@@H]([NH2+]CCCC[NH+]1C[C@@H](C)O[C@H](C)C1)C1CCSCC1 ZINC000253232616 296122049 /nfs/dbraw/zinc/12/20/49/296122049.db2.gz FYKVXWGFWMCCDS-BZUAXINKSA-N 2 0 314.539 2.997 20 0 DFADRP C[C@@H]1C[NH+](CC2CC[NH+](CCOCC3CCC3)CC2)C[C@@H](C)O1 ZINC000419192536 296127453 /nfs/dbraw/zinc/12/74/53/296127453.db2.gz PBXBZGARHZNTFG-IAGOWNOFSA-N 2 0 324.509 2.624 20 0 DFADRP CCC[C@](C)([NH3+])C(=O)N[C@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000261545209 203076430 /nfs/dbraw/zinc/07/64/30/203076430.db2.gz JQMSQMHRUDDNDJ-SUMDDJOVSA-N 2 0 317.477 2.531 20 0 DFADRP CC(C)CCC[NH2+]Cc1ccc(CN2CC[NH+](C)CC2)cc1 ZINC000338431074 284112109 /nfs/dbraw/zinc/11/21/09/284112109.db2.gz OJXPPEMIJBBVLQ-UHFFFAOYSA-N 2 0 303.494 2.960 20 0 DFADRP CC[NH+](CC)[C@@H](CNC(=O)CC[C@H]1CC[NH2+]C1)c1ccccc1 ZINC000261713350 203099666 /nfs/dbraw/zinc/09/96/66/203099666.db2.gz LGSKEMJQGFQKIH-WMZOPIPTSA-N 2 0 317.477 2.575 20 0 DFADRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@H]1Cc2[nH]c3ccccc3c2C1 ZINC000282205330 216820802 /nfs/dbraw/zinc/82/08/02/216820802.db2.gz HCCDINCSTPMMOU-HUUCEWRRSA-N 2 0 315.461 2.582 20 0 DFADRP Cc1ncccc1OC[C@H]1CCC[NH+]1CC[C@H]1CCC[N@H+]1C ZINC000419384638 296138642 /nfs/dbraw/zinc/13/86/42/296138642.db2.gz GQMMJIMGQFPSCE-IAGOWNOFSA-N 2 0 303.450 2.718 20 0 DFADRP CC(C)[N@H+](C)Cc1ccccc1CNC(=O)[C@@H]1CCC[C@H]([NH3+])C1 ZINC000262309631 203256648 /nfs/dbraw/zinc/25/66/48/203256648.db2.gz SIUKAJNTMZHHMX-QAPCUYQASA-N 2 0 317.477 2.661 20 0 DFADRP CC[NH+](CC)Cc1cccc(NC(=O)[C@H]2CC[NH2+][C@@H](C)C2)c1 ZINC000262317486 203259484 /nfs/dbraw/zinc/25/94/84/203259484.db2.gz CFOIJUMPBOPQCI-HOCLYGCPSA-N 2 0 303.450 2.855 20 0 DFADRP FC(F)CN1CCC([NH2+]CCCCC[NH+]2CCCC2)CC1 ZINC000339500097 284143461 /nfs/dbraw/zinc/14/34/61/284143461.db2.gz MWFRLIZDPAFNLV-UHFFFAOYSA-N 2 0 303.441 2.572 20 0 DFADRP CCN(C)c1ccc(C[NH2+]CCCCC[NH+]2CCCC2)cn1 ZINC000339500045 284143464 /nfs/dbraw/zinc/14/34/64/284143464.db2.gz LOTBTPAWXPHRKA-UHFFFAOYSA-N 2 0 304.482 2.893 20 0 DFADRP [NH3+]C1(C(=O)NCc2ccc(C[NH+]3CCCC3)cc2)CCCCC1 ZINC000262654114 203366758 /nfs/dbraw/zinc/36/67/58/203366758.db2.gz SRQHHXBDGRLGNI-UHFFFAOYSA-N 2 0 315.461 2.560 20 0 DFADRP CCC(CC)(CNC(=O)C1([NH3+])CC1)[NH2+][C@H](C)c1ccccc1 ZINC000262709686 203388787 /nfs/dbraw/zinc/38/87/87/203388787.db2.gz PEPGMKYSFKPJDH-CQSZACIVSA-N 2 0 303.450 2.504 20 0 DFADRP CCC(CC)(CNC(=O)C1([NH3+])CC1)[NH2+][C@@H](C)c1ccccc1 ZINC000262709683 203389717 /nfs/dbraw/zinc/38/97/17/203389717.db2.gz PEPGMKYSFKPJDH-AWEZNQCLSA-N 2 0 303.450 2.504 20 0 DFADRP CCC[C@@](C)([NH3+])C(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000262713962 203390975 /nfs/dbraw/zinc/39/09/75/203390975.db2.gz SXYVLUKNTHYQAX-QGZVFWFLSA-N 2 0 321.490 2.691 20 0 DFADRP CN(C)c1ncc(CN[C@@H]2CCc3cc(F)c(F)c(F)c32)n1C ZINC000419705304 296147279 /nfs/dbraw/zinc/14/72/79/296147279.db2.gz ALSVAYXHCLCMHW-GFCCVEGCSA-N 2 0 324.350 2.681 20 0 DFADRP CN(C)c1ncc(C[NH2+][C@H]2CCc3sc(Cl)cc32)n1C ZINC000419703272 296147318 /nfs/dbraw/zinc/14/73/18/296147318.db2.gz DCEPJCRUXAUFLS-NSHDSACASA-N 2 0 310.854 2.978 20 0 DFADRP COC(=O)c1ccccc1C[NH+]1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000595901444 399128128 /nfs/dbraw/zinc/12/81/28/399128128.db2.gz WGXSKQIKDZBHOZ-INIZCTEOSA-N 2 0 316.445 2.685 20 0 DFADRP CCOC(=O)CCCCC[N@@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000595900865 399128160 /nfs/dbraw/zinc/12/81/60/399128160.db2.gz ODJAEKJFKYHADX-QGZVFWFLSA-N 2 0 310.482 2.822 20 0 DFADRP CCC[C@H](C(=O)NCc1cccc(C[N@H+](C)C(C)C)c1)[NH+](C)C ZINC000094128090 193346160 /nfs/dbraw/zinc/34/61/60/193346160.db2.gz SRDMHNDOTQREEQ-GOSISDBHSA-N 2 0 319.493 2.873 20 0 DFADRP C[C@@H](C(=O)NCCC[NH2+]C1CCCCC1)[NH+]1[C@H](C)CC[C@H]1C ZINC000419909512 296151311 /nfs/dbraw/zinc/15/13/11/296151311.db2.gz MHMBIRKPTHAOIQ-OAGGEKHMSA-N 2 0 309.498 2.676 20 0 DFADRP CC[NH+]1CCN([C@@H]2CC[N@H+](C[C@@H](C)c3ccc(C)cc3)C2)CC1 ZINC000600117272 399142409 /nfs/dbraw/zinc/14/24/09/399142409.db2.gz KGPHQSHKXSKASE-UYAOXDASSA-N 2 0 315.505 2.810 20 0 DFADRP CC1CCC([NH2+]CC2CC[NH+](CC(=O)NC(C)(C)C)CC2)CC1 ZINC000080373747 399142450 /nfs/dbraw/zinc/14/24/50/399142450.db2.gz VOUPHKQIAAXAAB-UHFFFAOYSA-N 2 0 323.525 2.781 20 0 DFADRP COc1cc2c(cc1F)[nH+]ccc2N1CCC2(CC[NH2+]C2)CC1 ZINC000420254962 296166184 /nfs/dbraw/zinc/16/61/84/296166184.db2.gz FGMOHJGQONVFGA-UHFFFAOYSA-N 2 0 315.392 2.962 20 0 DFADRP C[C@@H]([NH3+])[C@@H]1CCCCN1CCC(=O)Nc1ccc(Cl)cc1 ZINC000420279924 296168657 /nfs/dbraw/zinc/16/86/57/296168657.db2.gz XTXASAQXVIHMTO-DOMZBBRYSA-N 2 0 309.841 2.870 20 0 DFADRP Brc1cccc2c(N3CC[C@@H]4C[NH2+]C[C@@H]43)ccnc12 ZINC000420278782 296168679 /nfs/dbraw/zinc/16/86/79/296168679.db2.gz OKKIPDIGGWNECL-YGRLFVJLSA-N 2 0 318.218 2.795 20 0 DFADRP Cc1cc(N2C[C@@H](C[NH3+])C3(C2)CCOCC3)c2ccccc2[nH+]1 ZINC000420276608 296168342 /nfs/dbraw/zinc/16/83/42/296168342.db2.gz PHJWZSFSWDVRLK-OAHLLOKOSA-N 2 0 311.429 2.735 20 0 DFADRP CC[NH2+]CC1CC[NH+]([C@@H](C)C(=O)Nc2cc(C)cc(C)c2)CC1 ZINC000420283298 296169151 /nfs/dbraw/zinc/16/91/51/296169151.db2.gz BXEBRINEUZLEBA-INIZCTEOSA-N 2 0 317.477 2.952 20 0 DFADRP COCc1cc(N2CC[C@H](C)[C@@H](C[NH3+])C2)c2cc(F)ccc2n1 ZINC000420285376 296169293 /nfs/dbraw/zinc/16/92/93/296169293.db2.gz OWDFWBQIWIWJCM-STQMWFEESA-N 2 0 317.408 2.941 20 0 DFADRP C[N@@H+]1CCCC[C@H]1CN1CCN(c2cc[nH+]c3ccccc32)CC1 ZINC000264824712 204186288 /nfs/dbraw/zinc/18/62/88/204186288.db2.gz YGLCLCMZYZNTLY-KRWDZBQOSA-N 2 0 324.472 2.841 20 0 DFADRP COC(=O)C[C@@H]1CC[C@H]([NH2+]C[C@H]2CCC[N@H+](CC3CC3)C2)[C@H]1C ZINC000596058071 399157538 /nfs/dbraw/zinc/15/75/38/399157538.db2.gz BXWVKOQSMNTXJV-RANZSIQMSA-N 2 0 322.493 2.676 20 0 DFADRP COc1cccc(OCCN2CCC([NH2+]CC3CC3)CC2)c1 ZINC000420292331 296170125 /nfs/dbraw/zinc/17/01/25/296170125.db2.gz PHMJWYGSZJPHJM-UHFFFAOYSA-N 2 0 304.434 2.538 20 0 DFADRP OCCC[N@H+](CC[C@@H]1CCC[NH2+]C1)[C@@H]1CCc2ccccc21 ZINC000420295337 296170595 /nfs/dbraw/zinc/17/05/95/296170595.db2.gz CFJAKNYHLNVXDA-QFBILLFUSA-N 2 0 302.462 2.748 20 0 DFADRP CC[N@H+](CC[C@H]1CCC[NH2+]C1)C[C@@H]1COc2ccccc2O1 ZINC000420299024 296171248 /nfs/dbraw/zinc/17/12/48/296171248.db2.gz GBWKCWUKLNRBPB-HZPDHXFCSA-N 2 0 304.434 2.538 20 0 DFADRP COc1ccc(OC)c([C@@H]2CCC[N@@H+]2CC[C@@H]2CC[NH2+]C2)c1 ZINC000420296440 296171008 /nfs/dbraw/zinc/17/10/08/296171008.db2.gz BZLWCKKQZVPURA-YOEHRIQHSA-N 2 0 304.434 2.840 20 0 DFADRP c1ccc(CC[N@@H+](CC[C@@H]2CCC[NH2+]C2)[C@@H]2CCOC2)cc1 ZINC000420301526 296171656 /nfs/dbraw/zinc/17/16/56/296171656.db2.gz LKOFXAUGDUOWPH-RBUKOAKNSA-N 2 0 302.462 2.710 20 0 DFADRP CC[N@H+](CC[C@H]1CCC[NH2+]C1)CC(=O)Nc1c(C)cccc1C ZINC000420300253 296171293 /nfs/dbraw/zinc/17/12/93/296171293.db2.gz JSYOIFYVKKFJJY-QGZVFWFLSA-N 2 0 317.477 2.954 20 0 DFADRP CC[N@H+](CC[C@@H]1CCC[NH2+]C1)CC(=O)Nc1c(C)cccc1C ZINC000420300250 296171378 /nfs/dbraw/zinc/17/13/78/296171378.db2.gz JSYOIFYVKKFJJY-KRWDZBQOSA-N 2 0 317.477 2.954 20 0 DFADRP C[N@H+](CCC[NH3+])CCOc1ccc(OCc2ccccc2)cc1 ZINC000420302062 296171558 /nfs/dbraw/zinc/17/15/58/296171558.db2.gz LXGBNORNCXLPNY-UHFFFAOYSA-N 2 0 314.429 2.925 20 0 DFADRP COC(=O)c1cc2cc(C[N@H+](C)[C@H]3CCC[NH2+]CC3)ccc2o1 ZINC000420304282 296172096 /nfs/dbraw/zinc/17/20/96/296172096.db2.gz DXCDLKFBKVZKBR-HNNXBMFYSA-N 2 0 316.401 2.793 20 0 DFADRP C[C@H]([NH3+])C1CC[NH+](CCOc2ccc(Cl)c(F)c2)CC1 ZINC000420304708 296172146 /nfs/dbraw/zinc/17/21/46/296172146.db2.gz YJVPOXSCLATMAP-NSHDSACASA-N 2 0 300.805 2.917 20 0 DFADRP c1cc([C@@H]2CCC[N@H+]2CC[C@H]2CCC[NH2+]C2)cc2c1OCO2 ZINC000420304871 296172246 /nfs/dbraw/zinc/17/22/46/296172246.db2.gz OUNVOGUGWVDGCM-ZBFHGGJFSA-N 2 0 302.418 2.942 20 0 DFADRP CCC[N@H+](CC[C@@H]1CC[NH2+]C1)CC(=O)Nc1ccccc1C ZINC000420300474 296171822 /nfs/dbraw/zinc/17/18/22/296171822.db2.gz HNUIBFFVVBEAAP-INIZCTEOSA-N 2 0 303.450 2.645 20 0 DFADRP CC[N@@H+]1CC[C@H](N(C)C[C@@H](C[NH3+])c2ccc(OC)cc2)C[C@@H]1C ZINC000420308046 296172797 /nfs/dbraw/zinc/17/27/97/296172797.db2.gz CISWWIGHPFFAFP-JQHSSLGASA-N 2 0 319.493 2.542 20 0 DFADRP CCC[N@H+](CC[C@@H]1CCC[NH2+]C1)C[C@H]1COc2ccccc2O1 ZINC000420304217 296172290 /nfs/dbraw/zinc/17/22/90/296172290.db2.gz LGMVKKCVIBTQKE-IRXDYDNUSA-N 2 0 318.461 2.928 20 0 DFADRP C[C@@H]1c2cc3c(cc2C2(CCCC2)C[N@H+]1CCC[NH3+])OCCO3 ZINC000420303614 296172348 /nfs/dbraw/zinc/17/23/48/296172348.db2.gz KUIRXWHYLSNYDA-CQSZACIVSA-N 2 0 316.445 2.995 20 0 DFADRP CC[NH+](CC)CC(=O)NCC1([NH+]2CCCCC2)CCCCC1 ZINC000061757757 399162977 /nfs/dbraw/zinc/16/29/77/399162977.db2.gz VDSLHFDZKIERRF-UHFFFAOYSA-N 2 0 309.498 2.633 20 0 DFADRP CC[C@@H](C)[C@H]1CCCC[N@@H+]1C[C@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC000420310977 296173504 /nfs/dbraw/zinc/17/35/04/296173504.db2.gz VPOOUZVJCGJLSG-LULLPPNCSA-N 2 0 304.478 2.818 20 0 DFADRP Fc1cccc(CC[N@H+](CCN2CC[NH2+]CC2)C2CCCC2)c1 ZINC000420315181 296173583 /nfs/dbraw/zinc/17/35/83/296173583.db2.gz ZWSZXJHZDAHZLU-UHFFFAOYSA-N 2 0 319.468 2.518 20 0 DFADRP C[C@@H]1C[C@@H](c2ccccc2)C[N@@H+]1C[C@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC000420315117 296173671 /nfs/dbraw/zinc/17/36/71/296173671.db2.gz ZRLRVCVQJLECSW-DBOLQNLKSA-N 2 0 324.468 2.795 20 0 DFADRP [NH3+]C[C@H](Cc1ccccc1)[C@@H]1CCCC[N@@H+]1CC[C@@H]1CC[NH2+]C1 ZINC000420307899 296172996 /nfs/dbraw/zinc/17/29/96/296172996.db2.gz JCUHMGYBUGKNKU-UFYCRDLUSA-N 3 0 315.505 2.658 20 0 DFADRP c1ccc(CCOC2CC[NH+](CC[C@@H]3CC[NH2+]C3)CC2)cc1 ZINC000420318821 296174516 /nfs/dbraw/zinc/17/45/16/296174516.db2.gz OZPVFOQLERIYCT-SFHVURJKSA-N 2 0 302.462 2.710 20 0 DFADRP [NH3+][C@@H](Cc1ccccc1)[C@@H](O)C[N@@H+]1CCC[C@@H]1C1CCCC1 ZINC000420322919 296175385 /nfs/dbraw/zinc/17/53/85/296175385.db2.gz STERKHQNBJHFRT-OTWHNJEPSA-N 2 0 302.462 2.572 20 0 DFADRP CCOc1ccccc1OCC[N@@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420321070 296174829 /nfs/dbraw/zinc/17/48/29/296174829.db2.gz CFPXGQYLKHEYKU-SJORKVTESA-N 2 0 318.461 2.786 20 0 DFADRP COC(=O)c1cc2cc(C[N@@H+]3CCCC[C@H]3CC[NH3+])ccc2o1 ZINC000420321011 296174902 /nfs/dbraw/zinc/17/49/02/296174902.db2.gz VAYUVDMSRIFJBP-HNNXBMFYSA-N 2 0 316.401 2.923 20 0 DFADRP Cc1cc(C)cc(NC(=O)C[NH+]2CCC([C@H]3CCC[NH2+]3)CC2)c1 ZINC000420330633 296176536 /nfs/dbraw/zinc/17/65/36/296176536.db2.gz BAHBCFRUQQXVIX-GOSISDBHSA-N 2 0 315.461 2.706 20 0 DFADRP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](CC[C@@H]2CCC[NH2+]C2)C1 ZINC000420325479 296175838 /nfs/dbraw/zinc/17/58/38/296175838.db2.gz WQAGGSSLNFOEDK-QYZOEREBSA-N 3 0 307.526 2.963 20 0 DFADRP c1ccc(CCOCCC[N@@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)cc1 ZINC000420338275 296177472 /nfs/dbraw/zinc/17/74/72/296177472.db2.gz XQTDUXZGDCIYFO-PMACEKPBSA-N 2 0 316.489 2.957 20 0 DFADRP COc1cc(Cl)ccc1C[NH+]1CCC([C@@H]2OCC[C@H]2[NH3+])CC1 ZINC000420333569 296176784 /nfs/dbraw/zinc/17/67/84/296176784.db2.gz ODJPFMXWCXZMCU-WBVHZDCISA-N 2 0 324.852 2.677 20 0 DFADRP O=C(C[N@@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1)Nc1cccc(Cl)c1 ZINC000420344034 296177963 /nfs/dbraw/zinc/17/79/63/296177963.db2.gz RUDQQQXHKILSPR-UONOGXRCSA-N 2 0 321.852 2.600 20 0 DFADRP COc1ccccc1CCC[N@@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420338264 296177598 /nfs/dbraw/zinc/17/75/98/296177598.db2.gz XPYALCLKRDCOIF-QZTJIDSGSA-N 2 0 302.462 2.949 20 0 DFADRP Nc1cccc(C[NH+]2CCC(CCC[NH+]3CCOCC3)CC2)c1 ZINC000420352374 296178909 /nfs/dbraw/zinc/17/89/09/296178909.db2.gz AIOVWIPQTRKKKD-UHFFFAOYSA-N 2 0 317.477 2.593 20 0 DFADRP c1ccc(CC[C@H]2C[N@H+](CCC3CC[NH2+]CC3)CCO2)cc1 ZINC000420358002 296179561 /nfs/dbraw/zinc/17/95/61/296179561.db2.gz IOSWLZKBRRWWLP-IBGZPJMESA-N 2 0 302.462 2.710 20 0 DFADRP c1ccc(CC[C@@H]2C[N@H+](CC[C@@H]3CCC[NH2+]C3)CCO2)cc1 ZINC000420364344 296180268 /nfs/dbraw/zinc/18/02/68/296180268.db2.gz QOIBFQRMLLSCBE-RBUKOAKNSA-N 2 0 302.462 2.710 20 0 DFADRP Cc1cccc(OCC[NH+]2CCC([C@@H]3OCCC[C@@H]3[NH3+])CC2)c1 ZINC000420372865 296181996 /nfs/dbraw/zinc/18/19/96/296181996.db2.gz FUYKIWYFBFXJPU-OALUTQOASA-N 2 0 318.461 2.592 20 0 DFADRP CCC(C)(C)[C@H]1CCC[N@@H+]1C[C@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC000420370544 296181931 /nfs/dbraw/zinc/18/19/31/296181931.db2.gz JMLQGJJZOJYDEW-OKZBNKHCSA-N 2 0 304.478 2.818 20 0 DFADRP COC(=O)[C@H](C)[C@H]([NH2+]CC[C@@H]1CCC[NH2+]C1)c1ccccc1 ZINC000420373190 296182377 /nfs/dbraw/zinc/18/23/77/296182377.db2.gz MEFJGYVQBSMOMV-VYDXJSESSA-N 2 0 304.434 2.516 20 0 DFADRP CCc1ccccc1C[NH+]1CCC([C@H]2OCCC[C@H]2[NH3+])CC1 ZINC000420379232 296182983 /nfs/dbraw/zinc/18/29/83/296182983.db2.gz MYAQLGJCUFCVAP-RTBURBONSA-N 2 0 302.462 2.967 20 0 DFADRP C[C@H]([NH2+]CCN1CC[NH2+]CC1)c1cc(F)c(Cl)cc1Cl ZINC000420382108 296183386 /nfs/dbraw/zinc/18/33/86/296183386.db2.gz YEYSWWJWERRSNJ-JTQLQIEISA-N 2 0 320.239 2.688 20 0 DFADRP C[C@@H]1CCCC[C@@H]1OCC[NH+]1CCC([C@@H]2C[C@H]([NH3+])CCO2)CC1 ZINC000420383281 296183930 /nfs/dbraw/zinc/18/39/30/296183930.db2.gz FNYDQPVJAIDGAZ-YSHGAJCASA-N 2 0 324.509 2.800 20 0 DFADRP [NH3+][C@H]1CCCO[C@@H]1C1CC[NH+](CCCCC2CCOCC2)CC1 ZINC000420387645 296184532 /nfs/dbraw/zinc/18/45/32/296184532.db2.gz WBZKWSKFYMUAOU-RBUKOAKNSA-N 2 0 324.509 2.802 20 0 DFADRP [NH3+][C@@H]1CCO[C@@H](C2CC[NH+](CCCOc3ccccc3)CC2)C1 ZINC000420388067 296185068 /nfs/dbraw/zinc/18/50/68/296185068.db2.gz KULJCCXBSUFVAU-IEBWSBKVSA-N 2 0 318.461 2.674 20 0 DFADRP Cc1ccc(CC[NH+]2CCC([C@@H]3C[C@H]([NH3+])CCO3)CC2)cc1 ZINC000420395737 296185636 /nfs/dbraw/zinc/18/56/36/296185636.db2.gz UPTYVTNLEMNGKS-MOPGFXCFSA-N 2 0 302.462 2.756 20 0 DFADRP C[C@H]1CC[N@H+](CCC(=O)Nc2ccc(Cl)cc2)C[C@@H]1C[NH3+] ZINC000420395234 296185795 /nfs/dbraw/zinc/18/57/95/296185795.db2.gz DEUWYVKTZMLAOZ-STQMWFEESA-N 2 0 309.841 2.585 20 0 DFADRP CN1CC[C@H]([NH2+]CC[C@H]2CCC[NH2+]C2)[C@@H]1c1ccc(F)c(F)c1 ZINC000420397356 296185896 /nfs/dbraw/zinc/18/58/96/296185896.db2.gz FZMLPNREHDWTON-BVGQSLNGSA-N 2 0 323.431 2.689 20 0 DFADRP COc1ccc([C@H](C[NH3+])C[NH2+][C@@H](C)c2cncc(F)c2)cc1 ZINC000420403630 296186938 /nfs/dbraw/zinc/18/69/38/296186938.db2.gz LGQFNPFMVTUIGD-SWLSCSKDSA-N 2 0 303.381 2.622 20 0 DFADRP COc1ccc([C@H](C[NH3+])C[NH2+][C@@H]2CCCO[C@@H]2CC(C)C)cc1 ZINC000420404622 296186966 /nfs/dbraw/zinc/18/69/66/296186966.db2.gz MKPOGJDPGKWXJH-BHIYHBOVSA-N 2 0 320.477 2.921 20 0 DFADRP Cc1ccc([C@H](C)[NH2+]C[C@H](O)[C@@H]([NH3+])Cc2ccccc2)cc1F ZINC000420412163 296187452 /nfs/dbraw/zinc/18/74/52/296187452.db2.gz SEKMSNQLYRGLMV-JVPBZIDWSA-N 2 0 316.420 2.716 20 0 DFADRP CC(C)N1CC[C@H]([NH2+]CCC[NH3+])[C@@H]1c1ccc(Cl)c(F)c1 ZINC000420412764 296187764 /nfs/dbraw/zinc/18/77/64/296187764.db2.gz SQKVCJJUDQWEEX-HOTGVXAUSA-N 2 0 313.848 2.941 20 0 DFADRP Cc1cc(C)n(-c2ccc(C[N@H+]3CC[C@@H](C)[C@@H](C[NH3+])C3)cc2)n1 ZINC000420417296 296187836 /nfs/dbraw/zinc/18/78/36/296187836.db2.gz WHZCLHABHWWSJO-KDOFPFPSSA-N 2 0 312.461 2.906 20 0 DFADRP Fc1ccc([C@@H]2OCC[C@@H]2[NH2+]CC[C@@H]2CCC[NH2+]C2)cc1F ZINC000420421932 296188280 /nfs/dbraw/zinc/18/82/80/296188280.db2.gz YZIZOBIRRGEBPA-ZLIFDBKOSA-N 2 0 310.388 2.774 20 0 DFADRP O[C@H]1CC[N@H+](Cc2ccccc2C[NH2+][C@H]2CCC23CCC3)C1 ZINC000282763392 217232766 /nfs/dbraw/zinc/23/27/66/217232766.db2.gz OKCPPZHNPGGQHX-ROUUACIJSA-N 2 0 300.446 2.676 20 0 DFADRP CC[NH+](CC)Cc1ccc(C(=O)N(C)[C@H]2CCC[N@H+](C)C2)cc1 ZINC000266068579 205073880 /nfs/dbraw/zinc/07/38/80/205073880.db2.gz FDFQKCTVDVULDU-SFHVURJKSA-N 2 0 317.477 2.695 20 0 DFADRP Cn1cc(-c2ccc(C[N@H+](C)CC3CC[NH+](C)CC3)s2)cn1 ZINC000282788287 217250454 /nfs/dbraw/zinc/25/04/54/217250454.db2.gz LQXLHAHDOJSRPV-UHFFFAOYSA-N 2 0 318.490 2.922 20 0 DFADRP C[NH+]1CCN(CCC[NH2+]Cc2cccc(Cl)c2Cl)CC1 ZINC000019981786 182173171 /nfs/dbraw/zinc/17/31/71/182173171.db2.gz CBCXYLLHCNQJOX-UHFFFAOYSA-N 2 0 316.276 2.721 20 0 DFADRP C[C@H]1C[C@@H](NC2CC[NH+](C)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000267545282 206136400 /nfs/dbraw/zinc/13/64/00/206136400.db2.gz BLCKTJUHIJCRCQ-LPHOPBHVSA-N 2 0 301.478 2.723 20 0 DFADRP CC[NH+](CC)CC(=O)N1CC[NH+](C2CCC(C(C)C)CC2)CC1 ZINC000622421566 399252940 /nfs/dbraw/zinc/25/29/40/399252940.db2.gz CKSBRRVOFGAMDU-UHFFFAOYSA-N 2 0 323.525 2.687 20 0 DFADRP C[C@H](C(=O)N1CCC[N@@H+](C(C)(C)C)CC1)[NH+]1CCCCCC1 ZINC000608358143 399255545 /nfs/dbraw/zinc/25/55/45/399255545.db2.gz VEULJKWOHBAAGU-MRXNPFEDSA-N 2 0 309.498 2.584 20 0 DFADRP C[NH+](C)Cc1cccc(NC(=O)NC2CCC([NH+](C)C)CC2)c1 ZINC000421077046 296233516 /nfs/dbraw/zinc/23/35/16/296233516.db2.gz BSLZXRDMYYOHDT-UHFFFAOYSA-N 2 0 318.465 2.743 20 0 DFADRP CO[C@@]1(C)C[C@@H]([NH2+]Cc2ccc(OCC[NH+](C)C)cc2)C1(C)C ZINC000608579146 399276415 /nfs/dbraw/zinc/27/64/15/399276415.db2.gz CCWSLEARRKMBNJ-MJGOQNOKSA-N 2 0 320.477 2.920 20 0 DFADRP Cn1c2ccc(C[NH2+]C3CCC([NH+](C)C)CC3)cc2sc1=O ZINC000421369619 296249485 /nfs/dbraw/zinc/24/94/85/296249485.db2.gz ILCCFHPRSZCIHP-UHFFFAOYSA-N 2 0 319.474 2.562 20 0 DFADRP COc1ccc(C[NH2+]C2CCC([NH+](C)C)CC2)c(C)c1OC ZINC000421379416 296250686 /nfs/dbraw/zinc/25/06/86/296250686.db2.gz UPFXAEIKDUNOLV-UHFFFAOYSA-N 2 0 306.450 2.975 20 0 DFADRP CC[NH2+]CC1CCN(C(=O)Nc2cccc(C[NH+](C)C)c2)CC1 ZINC000623065697 399322325 /nfs/dbraw/zinc/32/23/25/399322325.db2.gz LLGGNWHHGWPTSL-UHFFFAOYSA-N 2 0 318.465 2.602 20 0 DFADRP C[N@H+](CCCN1CC[NH+](C)CC1)C1CCC(C2CCC2)CC1 ZINC000623086678 399323729 /nfs/dbraw/zinc/32/37/29/399323729.db2.gz DIPAHTPREQLYPS-UHFFFAOYSA-N 2 0 307.526 2.915 20 0 DFADRP CCCN(CC[NH+](CC)CC)C(=O)c1ccc(C[NH+](C)C)cc1 ZINC000274012451 211269694 /nfs/dbraw/zinc/26/96/94/211269694.db2.gz GYDCNSYHJALAQN-UHFFFAOYSA-N 2 0 319.493 2.942 20 0 DFADRP C[NH+]1CCC(Oc2ccc(C[NH2+][C@H]3CCSC3)cc2)CC1 ZINC000284451494 218031950 /nfs/dbraw/zinc/03/19/50/218031950.db2.gz UJOFGRXQAWECGC-HNNXBMFYSA-N 2 0 306.475 2.755 20 0 DFADRP CC(C)[NH+](CCCNC(=O)c1ccc2c[nH+]cn2c1)C(C)C ZINC000284474729 218041592 /nfs/dbraw/zinc/04/15/92/218041592.db2.gz XKYJIUBGQGORFP-UHFFFAOYSA-N 2 0 302.422 2.573 20 0 DFADRP C[C@@H](C[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1)N1CCc2ccccc21 ZINC000623347516 399367907 /nfs/dbraw/zinc/36/79/07/399367907.db2.gz CMHIFSIACOYSMF-RDJZCZTQSA-N 2 0 301.478 2.900 20 0 DFADRP C[C@H](C[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1)N1CCc2ccccc21 ZINC000623347515 399368134 /nfs/dbraw/zinc/36/81/34/399368134.db2.gz CMHIFSIACOYSMF-NVXWUHKLSA-N 2 0 301.478 2.900 20 0 DFADRP C[N@@H+]1CC[C@H]([NH2+]C[C@H]2CCN(c3ccccc3)C2)CC1(C)C ZINC000623356481 399371035 /nfs/dbraw/zinc/37/10/35/399371035.db2.gz SJPGTUOZSVTBBX-SJORKVTESA-N 2 0 301.478 2.975 20 0 DFADRP C[N@@H+]1CC[C@@H]([NH2+]C[C@H]2CCN(c3ccccc3)C2)CC1(C)C ZINC000623356479 399371112 /nfs/dbraw/zinc/37/11/12/399371112.db2.gz SJPGTUOZSVTBBX-IAGOWNOFSA-N 2 0 301.478 2.975 20 0 DFADRP C[N@@H+]1CC[C@@H]([NH2+]C2CCN(Cc3ccncc3)CC2)CC1(C)C ZINC000623363032 399372580 /nfs/dbraw/zinc/37/25/80/399372580.db2.gz VKOGWTSQESPCBH-GOSISDBHSA-N 2 0 316.493 2.508 20 0 DFADRP C[NH+](C)CCOc1cccc(CN[C@@H]2CC[N@H+](C)C(C)(C)C2)c1 ZINC000623361613 399372601 /nfs/dbraw/zinc/37/26/01/399372601.db2.gz GSHPWRINZGAUMM-QGZVFWFLSA-N 2 0 319.493 2.589 20 0 DFADRP CC[NH+](CC)[C@@H](CNC(=O)C(C)(C)[NH3+])c1ccccc1Cl ZINC000236817942 284766744 /nfs/dbraw/zinc/76/67/44/284766744.db2.gz FERVVHOJWDSFNN-AWEZNQCLSA-N 2 0 311.857 2.576 20 0 DFADRP C[NH+](C)C[C@@H](Cc1ccccc1)N[C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623370437 399374456 /nfs/dbraw/zinc/37/44/56/399374456.db2.gz KAVVDHMBBCFDEJ-QZTJIDSGSA-N 2 0 303.494 2.622 20 0 DFADRP C[NH+](C)CCOc1ccccc1CN[C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623385589 399377489 /nfs/dbraw/zinc/37/74/89/399377489.db2.gz SSFOKYIDGFTKCK-KRWDZBQOSA-N 2 0 319.493 2.589 20 0 DFADRP CC(C)[C@@H](C(=O)NC[C@@H](c1ccccc1)[NH+]1CCCC1)[NH+](C)C ZINC000106427478 194211333 /nfs/dbraw/zinc/21/13/33/194211333.db2.gz WEEHPDLXIRRTQB-ROUUACIJSA-N 2 0 317.477 2.526 20 0 DFADRP C[C@@H]1C[N@H+](CCC[NH2+][C@@H]2CCCc3c(O)cccc32)CCCO1 ZINC000285154474 218311662 /nfs/dbraw/zinc/31/16/62/218311662.db2.gz MJRQNIMVDFBCBR-CRAIPNDOSA-N 2 0 318.461 2.860 20 0 DFADRP CC[C@H]([NH2+]Cc1cccc2c1CC[NH2+]C2)C1(C(=O)OC)CCC1 ZINC000602022981 399385917 /nfs/dbraw/zinc/38/59/17/399385917.db2.gz VGJVCJKHOPPGIB-KRWDZBQOSA-N 2 0 316.445 2.544 20 0 DFADRP COc1cccc(O[C@@H](C)C[NH2+][C@H]2CC[N@H+](C)C(C)(C)C2)c1 ZINC000623432146 399388007 /nfs/dbraw/zinc/38/80/07/399388007.db2.gz GIRLRNJVUNTHNT-GJZGRUSLSA-N 2 0 306.450 2.925 20 0 DFADRP [NH3+]C1CCC([NH2+]Cc2cc(Cl)c3c(c2)OCCCO3)CC1 ZINC000051692783 183834664 /nfs/dbraw/zinc/83/46/64/183834664.db2.gz XRPPWRAOGZLOGQ-UHFFFAOYSA-N 2 0 310.825 2.861 20 0 DFADRP COc1c(Br)cccc1C[NH2+]C(C)(C)CC[NH3+] ZINC000422553533 296311919 /nfs/dbraw/zinc/31/19/19/296311919.db2.gz KBOATZNIIOCULE-UHFFFAOYSA-N 2 0 301.228 2.675 20 0 DFADRP CC[NH2+]Cc1ccccc1NC(=O)NC1CCC([NH+](C)C)CC1 ZINC000422562689 296313002 /nfs/dbraw/zinc/31/30/02/296313002.db2.gz CNWJWKIJBHHZCN-UHFFFAOYSA-N 2 0 318.465 2.790 20 0 DFADRP C[C@@H]1C[C@@H](C)[N@H+](CCCc2ccc3c(c2)CCO3)C[C@@H]1C[NH3+] ZINC000422560990 296312729 /nfs/dbraw/zinc/31/27/29/296312729.db2.gz IIFVOGOPFNIHRP-RKVPGOIHSA-N 2 0 302.462 2.859 20 0 DFADRP C[C@@H]([NH2+]CCOCC1CC1)c1ccc(OCC[NH+](C)C)cc1 ZINC000268854363 207021625 /nfs/dbraw/zinc/02/16/25/207021625.db2.gz COXXBARZSCTDAI-OAHLLOKOSA-N 2 0 306.450 2.704 20 0 DFADRP COCCC[C@H](C)[NH2+]Cc1ccc(OCCC[NH+](C)C)cc1 ZINC000268850630 207018599 /nfs/dbraw/zinc/01/85/99/207018599.db2.gz HHSBURPDNOELHT-INIZCTEOSA-N 2 0 308.466 2.922 20 0 DFADRP C[C@@H]([NH2+]C(C)(C)CNC(=O)NC(C)(C)CC[NH3+])c1ccccc1 ZINC000422592113 296314882 /nfs/dbraw/zinc/31/48/82/296314882.db2.gz CWLGWNRMPJGQJW-CQSZACIVSA-N 2 0 320.481 2.542 20 0 DFADRP C[C@@H]([NH2+][C@@H](C)CC[NH+](C)C)c1ccc(N2CCOC2=O)cc1 ZINC000268868405 207038540 /nfs/dbraw/zinc/03/85/40/207038540.db2.gz CPVJVPNWADUSPV-UONOGXRCSA-N 2 0 305.422 2.634 20 0 DFADRP C[N@@H+]1CC[C@H](N[C@@H]2CC[NH+](C)C(C)(C)C2)[C@@H]1c1ccccc1 ZINC000623475526 399397516 /nfs/dbraw/zinc/39/75/16/399397516.db2.gz PZAZQMUGPCOEAE-SQNIBIBYSA-N 2 0 301.478 2.894 20 0 DFADRP CCN1CCC[C@H]1C[NH2+][C@@H](C)c1ccc(OCC[NH+](C)C)cc1 ZINC000156547891 197121825 /nfs/dbraw/zinc/12/18/25/197121825.db2.gz PPWOWDATLBCQHR-WMZOPIPTSA-N 2 0 319.493 2.762 20 0 DFADRP CC[N@H+](CCN[C@@H]1CC[NH+](Cc2ccccc2)C[C@@H]1C)C1CC1 ZINC000268895305 207065535 /nfs/dbraw/zinc/06/55/35/207065535.db2.gz ZUVPCYTYIWSCPY-FXAWDEMLSA-N 2 0 315.505 2.971 20 0 DFADRP C[C@@H]1C[C@@H](C)[N@H+](CCCOCCc2ccccc2)C[C@@H]1C[NH3+] ZINC000422625263 296316568 /nfs/dbraw/zinc/31/65/68/296316568.db2.gz BBZZKSNSMNVIBY-LMMKCTJWSA-N 2 0 304.478 2.941 20 0 DFADRP Cn1nc(CC[NH2+][C@H]2CC[N@H+](C)C(C)(C)C2)c2ccccc21 ZINC000623495622 399401722 /nfs/dbraw/zinc/40/17/22/399401722.db2.gz KNKYGYMVZYFCNW-AWEZNQCLSA-N 2 0 300.450 2.578 20 0 DFADRP c1cc2c(cc1C[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1)OCCCO2 ZINC000422702917 296318390 /nfs/dbraw/zinc/31/83/90/296318390.db2.gz LSQVAXNEYGQMQJ-BRWVUGGUSA-N 2 0 316.445 2.858 20 0 DFADRP CC(C)(C[NH2+]C1CCC(C[NH3+])CC1)N1CCc2ccccc2C1 ZINC000422700707 296318399 /nfs/dbraw/zinc/31/83/99/296318399.db2.gz HIOLTACOZIZHFO-UHFFFAOYSA-N 2 0 315.505 2.930 20 0 DFADRP C[C@@H]([NH3+])[C@H](Cc1ccccc1)NCC[N@H+](C)C1CCCCC1 ZINC000422700389 296318405 /nfs/dbraw/zinc/31/84/05/296318405.db2.gz GVROYHZSDNMBTL-APWZRJJASA-N 2 0 303.494 2.799 20 0 DFADRP CC[C@H](NC1CC[NH+](Cc2ccncc2)CC1)[C@H]1CCCC[NH2+]1 ZINC000422687312 296317946 /nfs/dbraw/zinc/31/79/46/296317946.db2.gz BLSUVIORONYOGH-RBUKOAKNSA-N 2 0 316.493 2.556 20 0 DFADRP CCOC(=O)C1([C@@H](C)[NH2+]Cc2ccc(C)cc2C)CC[NH2+]CC1 ZINC000422692621 296317981 /nfs/dbraw/zinc/31/79/81/296317981.db2.gz KLUGKZDKSMPAKB-MRXNPFEDSA-N 2 0 318.461 2.714 20 0 DFADRP CC[C@H](C)[C@H](O)C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000268922003 207089115 /nfs/dbraw/zinc/08/91/15/207089115.db2.gz XBJSOXOPGOYOCB-QFHJOOASSA-N 2 0 304.478 2.894 20 0 DFADRP CC(C)n1ncc2c1C[C@H]([NH2+][C@H]1CC[N@H+](C)C(C)(C)C1)CC2 ZINC000623505798 399404568 /nfs/dbraw/zinc/40/45/68/399404568.db2.gz QOOCDIUFIBMSCC-CVEARBPZSA-N 2 0 304.482 2.784 20 0 DFADRP CCN(CC[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1)CCC(F)(F)F ZINC000623506790 399404158 /nfs/dbraw/zinc/40/41/58/399404158.db2.gz HXUSZMRSQNYLOT-CYBMUJFWSA-N 2 0 309.420 2.723 20 0 DFADRP C[C@H]([NH2+]CCc1cc(Br)ccc1F)[C@H]1CC[NH2+]C1 ZINC000422709951 296319678 /nfs/dbraw/zinc/31/96/78/296319678.db2.gz ZZSHXKIGBUAWDW-JQWIXIFHSA-N 2 0 315.230 2.718 20 0 DFADRP CC(=O)Nc1ccc(CC[NH2+][C@@H]2C[C@@H]([NH3+])c3ccccc32)cc1 ZINC000422708694 296319220 /nfs/dbraw/zinc/31/92/20/296319220.db2.gz CGPFMUFUPKHYOW-RTBURBONSA-N 2 0 309.413 2.922 20 0 DFADRP C[N@@H+]1CC[C@H]([NH2+]C2CCN(c3nccs3)CC2)CC1(C)C ZINC000623513844 399405759 /nfs/dbraw/zinc/40/57/59/399405759.db2.gz OZGVIYLDSNNDSL-AWEZNQCLSA-N 2 0 308.495 2.574 20 0 DFADRP COc1ccc([C@H](C[NH+](C)C)N[C@@H]2CC[N@H+](C)C(C)(C)C2)cc1 ZINC000623517883 399407285 /nfs/dbraw/zinc/40/72/85/399407285.db2.gz XBQYWYGUZMLQCB-AEFFLSMTSA-N 2 0 319.493 2.760 20 0 DFADRP C[C@H](C[NH2+][C@H]1CCCC[C@H]1C[NH3+])N1CCc2ccccc2C1 ZINC000422711886 296320354 /nfs/dbraw/zinc/32/03/54/296320354.db2.gz HQFAORKSQWIOKK-AYBZRNKSSA-N 2 0 301.478 2.540 20 0 DFADRP C[C@H]([NH3+])[C@H]1COCC[C@@H]1[NH2+]CC(C)(C)c1ccccc1Cl ZINC000422715562 296320435 /nfs/dbraw/zinc/32/04/35/296320435.db2.gz SGCDZMNHCACKBO-ZENOOKHLSA-N 2 0 310.869 2.960 20 0 DFADRP CC[C@@H](NC[C@@H](C)[N@@H+]1CCc2ccccc2C1)[C@@H]1CCC[NH2+]1 ZINC000422714531 296320503 /nfs/dbraw/zinc/32/05/03/296320503.db2.gz LAEUDFQBQBFEIS-LZQZEXGQSA-N 2 0 301.478 2.553 20 0 DFADRP C[C@H](C[NH2+][C@H](Cc1ccccc1)[C@H](C)[NH3+])N1CCc2ccccc21 ZINC000422709729 296319747 /nfs/dbraw/zinc/31/97/47/296319747.db2.gz DVHOPVQZCUIBLY-FUHIMQAGSA-N 2 0 323.484 2.986 20 0 DFADRP C[C@H](CCCC[NH3+])[NH2+]C[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000422712949 296319981 /nfs/dbraw/zinc/31/99/81/296319981.db2.gz JCMULQLAKCVPQK-MJGOQNOKSA-N 3 0 303.494 2.658 20 0 DFADRP Cc1cc(C[NH2+][C@H]2CCc3nc[nH]c3C2)ncc1Br ZINC000623528020 399408847 /nfs/dbraw/zinc/40/88/47/399408847.db2.gz UQVOXROJBMMLBB-JTQLQIEISA-N 2 0 321.222 2.523 20 0 DFADRP O=C(Nc1ccc(C[NH2+][C@H]2CCC[NH2+]CC2)cc1)c1ccco1 ZINC000422714193 296320526 /nfs/dbraw/zinc/32/05/26/296320526.db2.gz KTTJIXUKNCWDDZ-HNNXBMFYSA-N 2 0 313.401 2.764 20 0 DFADRP CC[C@@H]([NH2+]CCCc1ccc(OC)c(OC)c1)[C@@H]1CCC[NH2+]1 ZINC000422715314 296320535 /nfs/dbraw/zinc/32/05/35/296320535.db2.gz JBMGVWBOHDIDNL-CVEARBPZSA-N 2 0 306.450 2.757 20 0 DFADRP C[C@@H](C[C@H]1CCCCC[NH2+]1)[NH2+]CCC(=O)NC1CCCCC1 ZINC000422715493 296320577 /nfs/dbraw/zinc/32/05/77/296320577.db2.gz MIWFVOHQUGJBLV-DOTOQJQBSA-N 2 0 309.498 2.726 20 0 DFADRP COc1ccc(CCC[NH2+][C@H]2CC[NH2+]CC[C@@H]2C)cc1OC ZINC000422717866 296320793 /nfs/dbraw/zinc/32/07/93/296320793.db2.gz KSVXMNHYQDGOEZ-HOCLYGCPSA-N 2 0 306.450 2.614 20 0 DFADRP C[N@@H+]1CC[C@H]([NH2+][C@H]2CCO[C@H](c3ccncc3)C2)CC1(C)C ZINC000623540007 399411538 /nfs/dbraw/zinc/41/15/38/399411538.db2.gz GWLCTPMFIWXKEG-ULQDDVLXSA-N 2 0 303.450 2.764 20 0 DFADRP CCOc1ccccc1OCC[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000268962832 207125805 /nfs/dbraw/zinc/12/58/05/207125805.db2.gz GBNFZUKTSJTCKW-SJORKVTESA-N 2 0 318.461 2.880 20 0 DFADRP C[C@@H](C[NH2+]C1CCC(C[NH3+])CC1)N1CCc2sccc2C1 ZINC000422722058 296321754 /nfs/dbraw/zinc/32/17/54/296321754.db2.gz WXARNBXMJPXCAU-HLIUYOAVSA-N 2 0 307.507 2.602 20 0 DFADRP CC[C@H](NCc1ccc(OCCC[NH+](C)C)cc1)[C@@H]1CCC[NH2+]1 ZINC000422720615 296321336 /nfs/dbraw/zinc/32/13/36/296321336.db2.gz SWLNJNPXGXCTJC-OALUTQOASA-N 2 0 319.493 2.637 20 0 DFADRP C[C@H](C[NH2+][C@@H]1CCCCC[C@H]1[NH3+])N1CCc2ccccc2C1 ZINC000422720761 296321452 /nfs/dbraw/zinc/32/14/52/296321452.db2.gz TWCKNILJWJPIRK-ATZDWAIDSA-N 2 0 301.478 2.683 20 0 DFADRP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1[NH2+]CCc1ccc(Cl)cc1Cl ZINC000422726303 296322000 /nfs/dbraw/zinc/32/20/00/296322000.db2.gz DKPSQQGEPVWMDH-XEGUGMAKSA-N 2 0 317.260 2.878 20 0 DFADRP C[C@H](N[C@H](C[N@@H+]1CCc2ccccc2C1)C(C)(C)C)C1C[NH2+]C1 ZINC000422725376 296322031 /nfs/dbraw/zinc/32/20/31/296322031.db2.gz BFEBMHKJFMPCRT-HNAYVOBHSA-N 2 0 315.505 2.657 20 0 DFADRP CCOC(=O)C1([C@H](C)[NH2+][C@@H]2CC[C@@H](C)C[C@H]2C)CC[NH2+]CC1 ZINC000422729585 296322838 /nfs/dbraw/zinc/32/28/38/296322838.db2.gz KYCMLAYLODULQY-LVQVYYBASA-N 2 0 310.482 2.722 20 0 DFADRP CCOC(=O)C1([C@H](C)[NH2+]CCCc2ccccc2)CC[NH2+]CC1 ZINC000422729144 296322889 /nfs/dbraw/zinc/32/28/89/296322889.db2.gz HKMHLKVLYWRKQK-INIZCTEOSA-N 2 0 318.461 2.530 20 0 DFADRP CCn1nncc1CNCC(C)(C)C[N@H+](C)Cc1ccccc1 ZINC000623583887 399422287 /nfs/dbraw/zinc/42/22/87/399422287.db2.gz ROTHTMXHGJOYIW-UHFFFAOYSA-N 2 0 315.465 2.546 20 0 DFADRP CCOC(=O)C1([C@H](C)[NH2+][C@@H]2CC[C@H](C)C[C@H]2C)CC[NH2+]CC1 ZINC000422729587 296322703 /nfs/dbraw/zinc/32/27/03/296322703.db2.gz KYCMLAYLODULQY-XUWVNRHRSA-N 2 0 310.482 2.722 20 0 DFADRP CCOC(=O)C1([C@H](C)[NH2+][C@@H]2CCC[C@H](C)[C@H]2C)CC[NH2+]CC1 ZINC000422728316 296322735 /nfs/dbraw/zinc/32/27/35/296322735.db2.gz JBKNEOOYVQGEMV-XUWVNRHRSA-N 2 0 310.482 2.722 20 0 DFADRP CC[NH+](CC)CCCN[C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422732423 296323343 /nfs/dbraw/zinc/32/33/43/296323343.db2.gz PULIBTGBJWZEKA-MJGOQNOKSA-N 2 0 317.477 2.564 20 0 DFADRP COc1ccc([C@H](NC[C@@H](C)[N@H+](C)C2CC2)[C@H]2CCC[NH2+]2)cc1 ZINC000422732690 296323421 /nfs/dbraw/zinc/32/34/21/296323421.db2.gz AGZUIQWGJOUJIN-ZMYBRWDISA-N 2 0 317.477 2.561 20 0 DFADRP COc1cccc([C@H](C[NH2+][C@H]2CCCCC[C@H]2[NH3+])N(C)C)c1 ZINC000422733763 296323526 /nfs/dbraw/zinc/32/35/26/296323526.db2.gz ROQHDBSFUISVQL-SQNIBIBYSA-N 2 0 305.466 2.548 20 0 DFADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC[C@H]1CCCC[NH+](C)C1 ZINC000623656543 399436475 /nfs/dbraw/zinc/43/64/75/399436475.db2.gz WNKPQWDWXVMHEJ-RLLQIKCJSA-N 2 0 315.505 2.828 20 0 DFADRP C[C@@H]1C[C@@H](NC[C@H]2CCCC[NH+](C)C2)C[N@@H+]1Cc1ccccc1 ZINC000623656056 399436651 /nfs/dbraw/zinc/43/66/51/399436651.db2.gz MABHPTUPLOMNQI-MISYRCLQSA-N 2 0 315.505 2.971 20 0 DFADRP COc1ccc([C@@H](C)[NH2+]CCCC[NH+](C)C)cc1NC(C)=O ZINC000269038359 207186236 /nfs/dbraw/zinc/18/62/36/207186236.db2.gz SVBUZLZEEDPTHB-CYBMUJFWSA-N 2 0 307.438 2.646 20 0 DFADRP C[C@H]1CN(Cc2ccccc2)CC[C@H]1[NH2+]CCCC[NH+](C)C ZINC000269051820 207200565 /nfs/dbraw/zinc/20/05/65/207200565.db2.gz VWVGRGFMGWWZPX-PKOBYXMFSA-N 2 0 303.494 2.828 20 0 DFADRP CCO[C@@H](CC[NH+](C)C)C[NH2+][C@@H](Cc1ccccc1)C1CC1 ZINC000269050731 207200836 /nfs/dbraw/zinc/20/08/36/207200836.db2.gz IGTYPQZQSJPESF-OALUTQOASA-N 2 0 304.478 2.954 20 0 DFADRP CC[C@@H](CCO)C[NH2+][C@H](C)c1ccc(OCC[NH+](C)C)cc1 ZINC000269054469 207202657 /nfs/dbraw/zinc/20/26/57/207202657.db2.gz ITSVDSYZEGWIRU-CVEARBPZSA-N 2 0 308.466 2.686 20 0 DFADRP COC(=O)c1[nH]c(CN2CCC[C@@H]([NH+]3CCCC3)CC2)cc1C ZINC000602478072 399456522 /nfs/dbraw/zinc/45/65/22/399456522.db2.gz OAPZHXLSQGQKIZ-MRXNPFEDSA-N 2 0 319.449 2.560 20 0 DFADRP C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2ccc(-n3ccnc3)cc2)C1 ZINC000269137067 207267334 /nfs/dbraw/zinc/26/73/34/207267334.db2.gz UHXCYVJMQQWIHV-MJGOQNOKSA-N 2 0 310.445 2.788 20 0 DFADRP C[C@H](C(=O)Nc1ccc2c(c1)C[NH2+]CC2)[NH+]1CCCCCC1 ZINC000269172638 207293866 /nfs/dbraw/zinc/29/38/66/207293866.db2.gz AJPNGFZVXYLNQR-CQSZACIVSA-N 2 0 301.434 2.535 20 0 DFADRP [NH3+]CCCOC1CC[NH+](Cc2cnc(C3CCC3)s2)CC1 ZINC000346693809 284928628 /nfs/dbraw/zinc/92/86/28/284928628.db2.gz PTVUULFQYWQOCG-UHFFFAOYSA-N 2 0 309.479 2.740 20 0 DFADRP C[C@@H](NC[C@@H]1CCC[N@@H+]1Cc1ccccc1)[C@@H]1CCCC[NH2+]1 ZINC000422734371 296323546 /nfs/dbraw/zinc/32/35/46/296323546.db2.gz CQNYNUHPGGPHCA-NEWSRXKRSA-N 2 0 301.478 2.771 20 0 DFADRP CO[C@H]1C[C@H]([NH2+][C@H]2CCN(Cc3ccccc3)C3(CC3)C2)C1 ZINC000623809248 399470316 /nfs/dbraw/zinc/47/03/16/399470316.db2.gz XULWGRWSFFEPGY-BZSNNMDCSA-N 2 0 300.446 2.951 20 0 DFADRP [NH3+]CC1CCC([NH2+]C[C@@H](c2ccccc2)N2CCCC2)CC1 ZINC000422736370 296323793 /nfs/dbraw/zinc/32/37/93/296323793.db2.gz XXEAZTBNTOYZTE-KVZIAJEVSA-N 2 0 301.478 2.931 20 0 DFADRP CCOC(=O)C1([C@@H](C)[NH2+]Cc2ccccc2Cl)CC[NH2+]CC1 ZINC000422739130 296324118 /nfs/dbraw/zinc/32/41/18/296324118.db2.gz ZWXGSWUDNRGFKZ-CYBMUJFWSA-N 2 0 324.852 2.751 20 0 DFADRP [NH3+][C@@H]1CCC[C@H]1[NH2+]CC1(c2cccc(Br)c2)CC1 ZINC000422743754 296324956 /nfs/dbraw/zinc/32/49/56/296324956.db2.gz JGSDDLDABFTFNL-ZIAGYGMSSA-N 2 0 309.251 2.950 20 0 DFADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]C[C@@H](c1c(F)cccc1F)N(C)C ZINC000422743020 296324966 /nfs/dbraw/zinc/32/49/66/296324966.db2.gz HRIWUIGQFGASDK-KCXAZCMYSA-N 2 0 311.420 2.545 20 0 DFADRP C[C@@H](NC1CC[NH+]([C@H](C)c2ccccc2)CC1)[C@@H]1CCC[NH2+]1 ZINC000422740928 296324504 /nfs/dbraw/zinc/32/45/04/296324504.db2.gz COMRGTMJROEHHE-MDZRGWNJSA-N 2 0 301.478 2.942 20 0 DFADRP C[C@H](C(=O)Nc1ccc2c(c1)C[NH2+]CC2)[N@H+](C)Cc1ccccc1 ZINC000269217748 207338550 /nfs/dbraw/zinc/33/85/50/207338550.db2.gz QACYDJZCKAFDEO-OAHLLOKOSA-N 2 0 323.440 2.791 20 0 DFADRP C[NH+]1CCC(CC[NH2+][C@@H]2CCN[C@@H](c3ccccc3)C2)CC1 ZINC000422742246 296324560 /nfs/dbraw/zinc/32/45/60/296324560.db2.gz PUEDPSQZTYWLHA-RTBURBONSA-N 2 0 301.478 2.801 20 0 DFADRP CC(C)COc1ccccc1C[NH2+][C@@H]1CCOC[C@@H]1[C@@H](C)[NH3+] ZINC000422744152 296324763 /nfs/dbraw/zinc/32/47/63/296324763.db2.gz VOSZEAKXKUCFCD-DJIMGWMZSA-N 2 0 306.450 2.563 20 0 DFADRP COC[C@@H](CCC[NH3+])[NH2+]CCc1ccccc1C(F)(F)F ZINC000422742615 296324838 /nfs/dbraw/zinc/32/48/38/296324838.db2.gz SBALQQGDNVBBQH-CYBMUJFWSA-N 2 0 304.356 2.591 20 0 DFADRP COc1ccccc1[C@@H](CN[C@@H](C)[C@H]1CCC[NH2+]1)[NH+]1CCCC1 ZINC000422746883 296325511 /nfs/dbraw/zinc/32/55/11/296325511.db2.gz ORKOEGGKXXWPKP-CGTJXYLNSA-N 2 0 317.477 2.562 20 0 DFADRP C[C@H](c1ccccc1)[NH+]1CCC(N[C@H]2CCC[NH2+]CC2)CC1 ZINC000422747198 296325529 /nfs/dbraw/zinc/32/55/29/296325529.db2.gz PLYHFWKKZWPQFY-AEFFLSMTSA-N 2 0 301.478 2.944 20 0 DFADRP CC[C@H](NC[C@H]1CCC[N@@H+]1Cc1ccccc1)[C@@H]1CCC[NH2+]1 ZINC000422747151 296325747 /nfs/dbraw/zinc/32/57/47/296325747.db2.gz YAUIVVAGUWOURO-QYZOEREBSA-N 2 0 301.478 2.771 20 0 DFADRP C[C@@H](c1ccccc1)[NH+]1CCC(N[C@@H]2C[NH2+]CC[C@H]2C)CC1 ZINC000422748408 296325787 /nfs/dbraw/zinc/32/57/87/296325787.db2.gz UJVCILPAADEIDI-JTDSTZFVSA-N 2 0 301.478 2.800 20 0 DFADRP CCC[NH+](CCC)CCCNC(=O)[C@@H](C)[C@H]([NH3+])c1ccccc1 ZINC000269234196 207359049 /nfs/dbraw/zinc/35/90/49/207359049.db2.gz FKWKGESJOJXXEX-WMZOPIPTSA-N 2 0 319.493 2.951 20 0 DFADRP COC[C@H](CCC[NH3+])[NH2+]C1CCN([C@H](C)c2ccccc2)CC1 ZINC000422745898 296325291 /nfs/dbraw/zinc/32/52/91/296325291.db2.gz NAIQFPOZFJXARL-APWZRJJASA-N 2 0 319.493 2.556 20 0 DFADRP C[C@@H]1CCCC[C@@H]1C[N@H+](C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000377633104 296326730 /nfs/dbraw/zinc/32/67/30/296326730.db2.gz UVFHYBGRLHPFGT-ZHALLVOQSA-N 2 0 307.526 2.913 20 0 DFADRP COc1ccccc1[C@H](C[NH2+][C@@H]1CCCCC[C@H]1[NH3+])N(C)C ZINC000422748951 296326216 /nfs/dbraw/zinc/32/62/16/296326216.db2.gz WVPDYAWEPAGHFO-ZACQAIPSSA-N 2 0 305.466 2.548 20 0 DFADRP COc1cccc([C@H](CN[C@@H]2CCC[C@H]2C[NH3+])[NH+]2CCCC2)c1 ZINC000422751079 296326472 /nfs/dbraw/zinc/32/64/72/296326472.db2.gz CCHKZRXMGJJIRR-UHOSZYNNSA-N 2 0 317.477 2.549 20 0 DFADRP COc1cccc([C@H](CN[C@H]2CCC[C@H]2C[NH3+])[NH+]2CCCC2)c1 ZINC000422751080 296326620 /nfs/dbraw/zinc/32/66/20/296326620.db2.gz CCHKZRXMGJJIRR-WDSOQIARSA-N 2 0 317.477 2.549 20 0 DFADRP C[C@H]([NH3+])[C@@H](Cc1ccccc1)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000422751890 296326660 /nfs/dbraw/zinc/32/66/60/296326660.db2.gz DEPQUAGYJBMVEF-IOMROCGXSA-N 2 0 323.484 2.809 20 0 DFADRP c1ccc(OCC[NH2+][C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)cc1 ZINC000422756091 296327366 /nfs/dbraw/zinc/32/73/66/296327366.db2.gz LGIQTJZULBFODE-ICSRJNTNSA-N 2 0 324.424 2.911 20 0 DFADRP COc1ccc([C@H](CN[C@@H]2CCC[C@H]2[NH3+])[NH+]2CCCCC2)cc1 ZINC000422755441 296327415 /nfs/dbraw/zinc/32/74/15/296327415.db2.gz HSRVYHJGYIUCDT-QRVBRYPASA-N 2 0 317.477 2.692 20 0 DFADRP C[C@H]([NH2+][C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)c1cccnc1 ZINC000422754039 296326906 /nfs/dbraw/zinc/32/69/06/296326906.db2.gz DJUSVIPXPAZHIT-POZUXBRTSA-N 2 0 309.413 2.988 20 0 DFADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]C[C@@H](c1ccccc1)N(C)C ZINC000422758717 296328137 /nfs/dbraw/zinc/32/81/37/296328137.db2.gz OFMBHUBWGKWIEW-LIRRHRJNSA-N 2 0 312.461 2.802 20 0 DFADRP O=C1CCCCCN1CCC[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1 ZINC000422758709 296328147 /nfs/dbraw/zinc/32/81/47/296328147.db2.gz OFGMXSOYUHYSRT-KZNAEPCWSA-N 2 0 321.509 2.680 20 0 DFADRP c1ccc2c(c1)O[C@@]1(CC[NH2+]C1)C[C@@H]2[NH2+]CCOC1CCCC1 ZINC000422759832 296328152 /nfs/dbraw/zinc/32/81/52/296328152.db2.gz KGAYYQYPACQDLS-HKUYNNGSSA-N 2 0 316.445 2.791 20 0 DFADRP C[C@@H]([NH2+]CC1(c2ccc(F)cc2)CCOCC1)[C@@H]1CCCC[NH2+]1 ZINC000422756776 296327620 /nfs/dbraw/zinc/32/76/20/296327620.db2.gz IADQEGQTAXTFDE-QAPCUYQASA-N 2 0 320.452 2.994 20 0 DFADRP CCOc1cc(CCC[NH2+][C@H](C)[C@H]2CCC[NH2+]2)ccc1OC ZINC000422757462 296327628 /nfs/dbraw/zinc/32/76/28/296327628.db2.gz MVWVFRPHFRCOED-GDBMZVCRSA-N 2 0 306.450 2.757 20 0 DFADRP Cc1nc(C[NH3+])ccc1[C@H](C)NCCC[N@@H+]1CCCC[C@@H]1C ZINC000422756840 296327723 /nfs/dbraw/zinc/32/77/23/296327723.db2.gz CMGAEQGCBIRUQN-GJZGRUSLSA-N 2 0 304.482 2.764 20 0 DFADRP C[C@H](C[C@H](C)[NH3+])[NH2+][C@@H]1CCOc2ccc(Br)cc21 ZINC000422761074 296328348 /nfs/dbraw/zinc/32/83/48/296328348.db2.gz MIXMVSOKZBZXKY-OPQQBVKSSA-N 2 0 313.239 2.988 20 0 DFADRP COc1cccc([C@H](C[NH2+][C@@H](C)CCC[NH3+])N2CCCC2)c1 ZINC000422763082 296328853 /nfs/dbraw/zinc/32/88/53/296328853.db2.gz OMFAXGABYPXDSB-YJBOKZPZSA-N 2 0 305.466 2.549 20 0 DFADRP COc1cccc(NC2CC[NH+](C[C@H]3CCC[NH2+]C3)CC2)c1 ZINC000346827216 284955786 /nfs/dbraw/zinc/95/57/86/284955786.db2.gz HWYRXYUMYDXOKV-HNNXBMFYSA-N 2 0 303.450 2.571 20 0 DFADRP CCOC(=O)C1([C@@H](C)[NH2+]C[C@H](C)c2ccccc2)CC[NH2+]CC1 ZINC000422765540 296329688 /nfs/dbraw/zinc/32/96/88/296329688.db2.gz QKBHBLXIARRVLE-JKSUJKDBSA-N 2 0 318.461 2.701 20 0 DFADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]CCN1c2ccccc2C[C@H]1C ZINC000422764407 296329402 /nfs/dbraw/zinc/32/94/02/296329402.db2.gz OLWQHUQUPIJSLF-HUUCEWRRSA-N 2 0 324.472 2.951 20 0 DFADRP COc1ccc([C@H](CN[C@H]2CCC[C@@H]2C[NH3+])[NH+]2CCCC2)cc1 ZINC000422767146 296329810 /nfs/dbraw/zinc/32/98/10/296329810.db2.gz YEOXJIRJTLCSJO-NEWSRXKRSA-N 2 0 317.477 2.549 20 0 DFADRP Cc1cccc([C@H](C)C[NH2+][C@@H]2CCOC[C@H]2[C@H]2CCC[NH2+]2)c1 ZINC000422775952 296331037 /nfs/dbraw/zinc/33/10/37/296331037.db2.gz CRDPAYRBILRJCE-QXCFHYIPSA-N 2 0 302.462 2.845 20 0 DFADRP Cc1ccc(CSCC[NH2+][C@@H]2CCOC[C@H]2[C@@H](C)[NH3+])cc1 ZINC000422774098 296331113 /nfs/dbraw/zinc/33/11/13/296331113.db2.gz VMOLRXDPJNQFJM-HYVNUMGLSA-N 2 0 308.491 2.570 20 0 DFADRP COc1ccccc1O[C@H](C)C[NH2+][C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000422778206 296331423 /nfs/dbraw/zinc/33/14/23/296331423.db2.gz ALHYJSJXGOJKHG-YYIAUSFCSA-N 2 0 318.461 2.973 20 0 DFADRP Cc1nccn1CCCC[NH2+][C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1 ZINC000422778412 296331460 /nfs/dbraw/zinc/33/14/60/296331460.db2.gz HKLICRUAPYSASD-RCCFBDPRSA-N 2 0 304.482 2.872 20 0 DFADRP C[C@@H]([NH2+]C1CCN(Cc2ccc(Cl)cc2)CC1)C1C[NH2+]C1 ZINC000422779730 296331560 /nfs/dbraw/zinc/33/15/60/296331560.db2.gz GLATWVNVYNTINL-CYBMUJFWSA-N 2 0 307.869 2.502 20 0 DFADRP CC[C@H]([NH2+][C@H](C)CN1CC[NH+](C)CC1)c1cc(C)ccc1C ZINC000623889261 399487942 /nfs/dbraw/zinc/48/79/42/399487942.db2.gz IRLTURKVBCJAOG-MJGOQNOKSA-N 2 0 303.494 2.980 20 0 DFADRP CC[C@@H](CCc1ccccc1)[NH2+]C[C@@H](C)CN1CC[NH+](C)CC1 ZINC000623887231 399488036 /nfs/dbraw/zinc/48/80/36/399488036.db2.gz XSJDURCRBNNYCX-QUCCMNQESA-N 2 0 317.521 2.871 20 0 DFADRP C[C@H]([NH2+]CCc1csc(-c2ccccc2)n1)[C@H]1CC[NH2+]C1 ZINC000422785692 296332508 /nfs/dbraw/zinc/33/25/08/296332508.db2.gz NVKCNPOMGOFELM-ZFWWWQNUSA-N 2 0 301.459 2.940 20 0 DFADRP COc1ccc(CC[NH2+][C@H]2C[C@H]([NH3+])c3ccccc32)c(OC)c1 ZINC000422782906 296332166 /nfs/dbraw/zinc/33/21/66/296332166.db2.gz NRGRSYOGSQRETI-ROUUACIJSA-N 2 0 312.413 2.981 20 0 DFADRP Cc1nc2ccccc2n1CC[NH2+][C@H](C)c1ccc(C[NH3+])nc1C ZINC000422785209 296332380 /nfs/dbraw/zinc/33/23/80/296332380.db2.gz MWYSPXFKJYHZNZ-CYBMUJFWSA-N 2 0 323.444 2.858 20 0 DFADRP c1ccc([C@H]2C[C@@H](NCCC[NH+]3CCCCC3)CC[NH2+]2)cc1 ZINC000422790348 296333194 /nfs/dbraw/zinc/33/31/94/296333194.db2.gz TVNFJQJHTYPSGB-RBUKOAKNSA-N 2 0 301.478 2.945 20 0 DFADRP C[C@H](C[NH2+][C@@H]1CCOC[C@H]1[C@H]1CCC[NH2+]1)c1ccc(F)cc1F ZINC000422787860 296333018 /nfs/dbraw/zinc/33/30/18/296333018.db2.gz AGUCPEFRWKQYMV-UOAMXJAYSA-N 2 0 324.415 2.815 20 0 DFADRP c1ccc([C@@H]2C[C@@H](NCCC[NH+]3CCCCC3)CC[NH2+]2)cc1 ZINC000422790347 296333335 /nfs/dbraw/zinc/33/33/35/296333335.db2.gz TVNFJQJHTYPSGB-OALUTQOASA-N 2 0 301.478 2.945 20 0 DFADRP C[C@H](C[C@H](C)[NH3+])[NH2+]C[C@H](C)Oc1cccc(Br)c1 ZINC000422796063 296334356 /nfs/dbraw/zinc/33/43/56/296334356.db2.gz IKQCWJFYNBRAOT-TUAOUCFPSA-N 2 0 315.255 2.932 20 0 DFADRP Cc1nn(Cc2ccccc2)c(C)c1C[NH2+][C@H](C)C[C@@H](C)[NH3+] ZINC000422795748 296334586 /nfs/dbraw/zinc/33/45/86/296334586.db2.gz WOEFVRMJVVDPSK-ZIAGYGMSSA-N 2 0 300.450 2.764 20 0 DFADRP C[C@H]([NH3+])C[C@H](C)[NH2+]CC1(c2ccc3c(c2)OCCO3)CCCC1 ZINC000422798360 296334818 /nfs/dbraw/zinc/33/48/18/296334818.db2.gz QTWHDEWJXFJYLQ-GJZGRUSLSA-N 2 0 318.461 2.985 20 0 DFADRP C[C@H]1CC[NH2+]CC[C@@H]1[NH2+]CCc1ccn(-c2ccc(F)cc2)n1 ZINC000422796935 296334876 /nfs/dbraw/zinc/33/48/76/296334876.db2.gz ZMSWPUKTKHCXAE-KSSFIOAISA-N 2 0 316.424 2.532 20 0 DFADRP CC(C)C(=O)Nc1ccc(C[NH2+][C@@H]2CCCC[C@@H]2C[NH3+])cc1 ZINC000422798419 296334979 /nfs/dbraw/zinc/33/49/79/296334979.db2.gz QZXGIAZIIGYQPF-NVXWUHKLSA-N 2 0 303.450 2.888 20 0 DFADRP CCOC(=O)C1([C@@H](C)[NH2+]CCCC2CCCC2)CC[NH2+]CC1 ZINC000422801827 296335424 /nfs/dbraw/zinc/33/54/24/296335424.db2.gz GFWNRROPFXRSPM-OAHLLOKOSA-N 2 0 310.482 2.868 20 0 DFADRP C[C@H]1CC[NH2+]CC[C@H]1[NH2+]Cc1cccc(C[NH+]2CCCC2)c1 ZINC000422804958 296336314 /nfs/dbraw/zinc/33/63/14/296336314.db2.gz IOLFSMTWIQUYHH-QFBILLFUSA-N 3 0 301.478 2.760 20 0 DFADRP [NH3+]CC1CCC([NH2+]CCCN2CCc3ccccc3C2)CC1 ZINC000422804661 296336385 /nfs/dbraw/zinc/33/63/85/296336385.db2.gz IBNOTKQOTIXZSM-UHFFFAOYSA-N 2 0 301.478 2.542 20 0 DFADRP COC[C@H](CCC[NH3+])[NH2+]C[C@@H]1CCCO[C@@H]1c1ccc(C)cc1 ZINC000422802508 296335921 /nfs/dbraw/zinc/33/59/21/296335921.db2.gz DKFVTQIZTFKYRI-GBESFXJTSA-N 2 0 320.477 2.806 20 0 DFADRP CC1CC[NH+](Cc2ccc(C[NH2+]C3CC[NH2+]CC3)cc2)CC1 ZINC000422809242 296336957 /nfs/dbraw/zinc/33/69/57/296336957.db2.gz RNHSFMALTVHSJN-UHFFFAOYSA-N 3 0 301.478 2.760 20 0 DFADRP CC[C@H](NCCC[N@@H+]1CCc2ccccc2C1)[C@@H]1CCCC[NH2+]1 ZINC000422807019 296336583 /nfs/dbraw/zinc/33/65/83/296336583.db2.gz LOXRJYYPRCDPFI-PMACEKPBSA-N 2 0 315.505 2.945 20 0 DFADRP CO[C@H](C[NH2+][C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)C(C)C ZINC000422806737 296336718 /nfs/dbraw/zinc/33/67/18/296336718.db2.gz LDPJBVDHLZKCDX-KBAYOESNSA-N 2 0 304.434 2.503 20 0 DFADRP CN(c1nc2ccccc2n2cncc12)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000623963262 399504487 /nfs/dbraw/zinc/50/44/87/399504487.db2.gz BXLANCDOZNGMJQ-AWEZNQCLSA-N 2 0 307.401 2.555 20 0 DFADRP CC[C@H](C[NH2+][C@H]1CCC[C@H]1C[NH3+])N1CCc2ccccc2C1 ZINC000422814132 296338034 /nfs/dbraw/zinc/33/80/34/296338034.db2.gz ZQORTVOEWWXQQT-UHOSZYNNSA-N 2 0 301.478 2.540 20 0 DFADRP C[C@H](CCC[NH3+])[NH2+][C@@H](c1nccn1C)c1ccc(Cl)cc1 ZINC000422815123 296338114 /nfs/dbraw/zinc/33/81/14/296338114.db2.gz WWONKTXHEOAEDZ-IUODEOHRSA-N 2 0 306.841 2.880 20 0 DFADRP CC[C@@H](NCc1cccc(C[NH+]2CCCC2)c1)[C@@H]1CCC[NH2+]1 ZINC000422810447 296337379 /nfs/dbraw/zinc/33/73/79/296337379.db2.gz RWHXXHDPKIADIS-MOPGFXCFSA-N 2 0 301.478 2.903 20 0 DFADRP CC[C@H](C[NH2+][C@H]1CCCC[C@@H]1C[NH3+])N1CCc2ccccc2C1 ZINC000422812580 296337475 /nfs/dbraw/zinc/33/74/75/296337475.db2.gz WOVUDKOBNYWXLM-RLLQIKCJSA-N 2 0 315.505 2.930 20 0 DFADRP C[C@@H](CCN[C@H]1CC[NH2+]CC[C@H]1C)[N@H+](C)Cc1ccccc1 ZINC000422818513 296338952 /nfs/dbraw/zinc/33/89/52/296338952.db2.gz GOMMXGSQLLFNDW-AOIWGVFYSA-N 2 0 303.494 2.875 20 0 DFADRP C[C@@H](CCC[NH3+])[NH2+][C@@H](c1nccn1C)c1ccc(Cl)cc1 ZINC000422815124 296338510 /nfs/dbraw/zinc/33/85/10/296338510.db2.gz WWONKTXHEOAEDZ-SWLSCSKDSA-N 2 0 306.841 2.880 20 0 DFADRP c1nn(-c2ccccc2)cc1C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000422818111 296338666 /nfs/dbraw/zinc/33/86/66/296338666.db2.gz FQWATCUDFSFFKW-CEXWTWQISA-N 2 0 310.445 2.883 20 0 DFADRP CC[C@@H](c1ccc(Cl)cc1)[N@@H+]1CC[C@@H](n2cc(C[NH3+])nn2)C1 ZINC000631846259 399507580 /nfs/dbraw/zinc/50/75/80/399507580.db2.gz XDALDECUCXIOJU-CVEARBPZSA-N 2 0 319.840 2.788 20 0 DFADRP C[C@@H](CCCC[NH3+])[NH2+]CC(C)(C)c1ccc2c(c1)OCCO2 ZINC000422823775 296339593 /nfs/dbraw/zinc/33/95/93/296339593.db2.gz MEJBDIGGGRYDRC-AWEZNQCLSA-N 2 0 306.450 2.843 20 0 DFADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]CCc1ccccc1Br ZINC000422825349 296339907 /nfs/dbraw/zinc/33/99/07/296339907.db2.gz JOQOUPSCFMTRKS-IUODEOHRSA-N 2 0 311.267 2.969 20 0 DFADRP c1csc(CN2CCC[C@H](C[NH2+][C@H]3CCC[NH2+]CC3)C2)c1 ZINC000422829923 296340800 /nfs/dbraw/zinc/34/08/00/296340800.db2.gz CHLFDGWEEMZUNL-CVEARBPZSA-N 2 0 307.507 2.692 20 0 DFADRP COc1cc(C[NH2+][C@H](C)C[C@@H](C)[NH3+])ccc1OCC(F)(F)F ZINC000422831420 296341025 /nfs/dbraw/zinc/34/10/25/296341025.db2.gz STHHQGQSPFKFFP-GHMZBOCLSA-N 2 0 320.355 2.852 20 0 DFADRP Cc1ccc([C@@H](CN[C@@H]2CCC[NH2+]CC2)[NH+]2CCCC2)cc1 ZINC000422830981 296341044 /nfs/dbraw/zinc/34/10/44/296341044.db2.gz RUXCUCLJTHGZJJ-RTBURBONSA-N 2 0 301.478 2.864 20 0 DFADRP CC[NH+](CC)[C@H](CN[C@H]1CCC[C@H]1C[NH3+])Cc1ccccc1 ZINC000422828280 296340493 /nfs/dbraw/zinc/34/04/93/296340493.db2.gz FUHNBMQRNSDHFE-FHWLQOOXSA-N 2 0 303.494 2.657 20 0 DFADRP [NH3+]CC1CCC([NH2+][C@H]2CCCN(Cc3ccccc3)C2)CC1 ZINC000422839346 296342238 /nfs/dbraw/zinc/34/22/38/296342238.db2.gz ZXWDPZORKNRGAZ-KVZIAJEVSA-N 2 0 301.478 2.758 20 0 DFADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]C[C@@H]1CCCN(Cc2cccs2)C1 ZINC000422839512 296342289 /nfs/dbraw/zinc/34/22/89/296342289.db2.gz QJAOJKOVWSWLHR-RYRKJORJSA-N 2 0 321.534 2.938 20 0 DFADRP C[NH+](C)Cc1ccccc1C(=O)Nc1ccc2c(c1)C[NH2+]CC2 ZINC000422838538 296342452 /nfs/dbraw/zinc/34/24/52/296342452.db2.gz OSDRRTYGHVTJPM-UHFFFAOYSA-N 2 0 309.413 2.646 20 0 DFADRP CCO[C@H](CC[NH2+][C@@H]1CCOC[C@@H]1[C@H]1CCC[NH2+]1)C1CCCC1 ZINC000422833488 296341321 /nfs/dbraw/zinc/34/13/21/296341321.db2.gz YUGCBFAMNOVVHZ-NCXUSEDFSA-N 2 0 324.509 2.719 20 0 DFADRP C[NH2+]CC1CC[NH+](Cc2c[nH]nc2-c2ccc(OC)cc2)CC1 ZINC000347014915 285004009 /nfs/dbraw/zinc/00/40/09/285004009.db2.gz ASDLOJZUEZGOOR-UHFFFAOYSA-N 2 0 314.433 2.517 20 0 DFADRP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+]CC1(N2CCSCC2)CCCC1 ZINC000422844085 296343316 /nfs/dbraw/zinc/34/33/16/296343316.db2.gz KTUPTJDIHXDOAR-CVEARBPZSA-N 2 0 311.539 2.598 20 0 DFADRP C[C@@H]([NH2+]CC1(c2ccccc2)CCOCC1)[C@@H]1CCCC[NH2+]1 ZINC000422843691 296343452 /nfs/dbraw/zinc/34/34/52/296343452.db2.gz JFDLRBBHKSEDDF-AEFFLSMTSA-N 2 0 302.462 2.855 20 0 DFADRP CCOc1c(OC)cc(C[NH2+][C@@H]2CC[NH2+]CC[C@H]2C)cc1OC ZINC000422839994 296342840 /nfs/dbraw/zinc/34/28/40/296342840.db2.gz RUISKVIPNGGXBZ-UKRRQHHQSA-N 2 0 322.449 2.580 20 0 DFADRP Clc1cccc(N2CC[C@H]([NH2+]C3C[C@H]4CC[C@@H](C3)[NH2+]4)C2)c1 ZINC000422842103 296343042 /nfs/dbraw/zinc/34/30/42/296343042.db2.gz XQLCVYXXCCUZPM-QGPPMGRFSA-N 2 0 305.853 2.791 20 0 DFADRP C[C@@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]C1CCN(CC(F)(F)F)CC1 ZINC000422854535 296345206 /nfs/dbraw/zinc/34/52/06/296345206.db2.gz AZGYVBOQPSVSNB-ZFWWWQNUSA-N 2 0 321.431 2.914 20 0 DFADRP CCNC(=O)c1ccc(C[NH2+][C@@H](C)C[C@@H]2CCCCC[NH2+]2)cc1 ZINC000422853752 296345287 /nfs/dbraw/zinc/34/52/87/296345287.db2.gz CFNWPFQAPQKDCZ-YJBOKZPZSA-N 2 0 317.477 2.837 20 0 DFADRP Cc1ccc(C[NH2+][C@@H]2CCC[C@@H]2C[NH3+])c(OC[C@H]2CCOC2)c1 ZINC000422860693 296346441 /nfs/dbraw/zinc/34/64/41/296346441.db2.gz IQBHUHDDEVUNCV-LZLYRXPVSA-N 2 0 318.461 2.627 20 0 DFADRP CCOc1cccc(C[NH2+][C@@H]2CCC[C@@H]2C[NH3+])c1OC(F)F ZINC000422874183 296348268 /nfs/dbraw/zinc/34/82/68/296348268.db2.gz NFXZZOGMHSHZOS-DGCLKSJQSA-N 2 0 314.376 2.904 20 0 DFADRP CCCC(=O)Nc1ccc(C[NH2+][C@H]2CC[NH2+]CC[C@@H]2C)cc1 ZINC000422879469 296349281 /nfs/dbraw/zinc/34/92/81/296349281.db2.gz KOITUKGYGKUOCI-YOEHRIQHSA-N 2 0 303.450 2.903 20 0 DFADRP Cc1ccc([C@H](CN[C@H](C)[C@H]2CCCC[NH2+]2)[NH+]2CCCC2)o1 ZINC000422877968 296348993 /nfs/dbraw/zinc/34/89/93/296348993.db2.gz JEWJHBZRGATIRE-ZACQAIPSSA-N 2 0 305.466 2.845 20 0 DFADRP CC[N@H+](CCN[C@@H](c1ccc(OC)cc1)[C@@H]1CCC[NH2+]1)C(C)C ZINC000422883663 296350135 /nfs/dbraw/zinc/35/01/35/296350135.db2.gz VIUGHIIGNPOPPT-OALUTQOASA-N 2 0 319.493 2.808 20 0 DFADRP COc1cc([C@H](C)[NH2+][C@H](C)[C@@H]2CCC[NH2+]C2)cc(OC)c1OC ZINC000422883759 296350267 /nfs/dbraw/zinc/35/02/67/296350267.db2.gz RBPRXDBRECHFRC-HZSPNIEDSA-N 2 0 322.449 2.751 20 0 DFADRP COc1ccc(OC(F)F)c(C[NH2+][C@H]2CCCC[C@@H]2C[NH3+])c1 ZINC000422879109 296349462 /nfs/dbraw/zinc/34/94/62/296349462.db2.gz UMISKNZFOIDOBF-RISCZKNCSA-N 2 0 314.376 2.904 20 0 DFADRP CC[C@H](N[C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1)[C@@H]1CCC[NH2+]1 ZINC000422879652 296349510 /nfs/dbraw/zinc/34/95/10/296349510.db2.gz VVJPCLYEIAVLRK-NQYYFHDYSA-N 2 0 301.478 2.770 20 0 DFADRP COc1ccc(C[NH2+][C@@H](C)C[C@H](C)[NH3+])cc1Br ZINC000422886069 296350605 /nfs/dbraw/zinc/35/06/05/296350605.db2.gz ZZKVJXKPEXNGHN-UWVGGRQHSA-N 2 0 301.228 2.673 20 0 DFADRP C[C@@H]([NH2+]Cc1ccccc1C[N@@H+]1CCCC[C@H]1C)C1C[NH2+]C1 ZINC000422880773 296349689 /nfs/dbraw/zinc/34/96/89/296349689.db2.gz MRYWXTZJKUQYRK-HZPDHXFCSA-N 3 0 301.478 2.759 20 0 DFADRP C[C@@H](N[C@H]1[C@H](C)C[N@@H+](Cc2ccccc2)C[C@@H]1C)[C@H]1CCC[NH2+]1 ZINC000422886912 296350990 /nfs/dbraw/zinc/35/09/90/296350990.db2.gz JXTSWTJYQZGEDB-DSJDWBEOSA-N 2 0 315.505 2.873 20 0 DFADRP CCCCOc1cccc(C[NH2+][C@@H]2CCOC[C@H]2[C@@H](C)[NH3+])c1 ZINC000422889845 296351240 /nfs/dbraw/zinc/35/12/40/296351240.db2.gz GZYOTQFITMHLTK-FHLIZLRMSA-N 2 0 306.450 2.707 20 0 DFADRP [NH3+]C[C@@H]1CCC[C@H]1[NH2+]CCc1ccc(OC(F)(F)F)cc1 ZINC000422891130 296351478 /nfs/dbraw/zinc/35/14/78/296351478.db2.gz KCPWDEWQHSZKLW-GXTWGEPZSA-N 2 0 302.340 2.845 20 0 DFADRP C[C@H](CCC[NH3+])[NH2+][C@H]1[C@H](C)C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000422886839 296350843 /nfs/dbraw/zinc/35/08/43/296350843.db2.gz JTEASGNFQJQNNW-NTDBWNAOSA-N 3 0 303.494 2.860 20 0 DFADRP COc1cc([C@H](C)[NH2+][C@@H](C)CCCC[NH3+])cc(OC)c1OC ZINC000422887793 296350899 /nfs/dbraw/zinc/35/08/99/296350899.db2.gz ZMLLDDLRXVTOEZ-STQMWFEESA-N 2 0 310.438 2.881 20 0 DFADRP Cc1ccccc1C[NH+]1CCC(N[C@H]2C[NH2+]CC[C@H]2C)CC1 ZINC000422899990 296352804 /nfs/dbraw/zinc/35/28/04/296352804.db2.gz PQQAASGJXGEGLU-APWZRJJASA-N 2 0 301.478 2.547 20 0 DFADRP CC[C@H](C)[N@H+](C)CCN[C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422901411 296352971 /nfs/dbraw/zinc/35/29/71/296352971.db2.gz BZYFBDBVQGFCDI-VDZJLULYSA-N 2 0 317.477 2.562 20 0 DFADRP [NH3+]C1CCC([NH2+][C@@H]2CCCN(Cc3c(F)cccc3F)C2)CC1 ZINC000422901765 296353213 /nfs/dbraw/zinc/35/32/13/296353213.db2.gz CEKRVIRPTSRXGG-YMAMQOFZSA-N 2 0 323.431 2.789 20 0 DFADRP CC[C@H](C)NC(=O)c1cccc(C[NH2+][C@H](C)CCCC[NH3+])c1 ZINC000422892498 296351931 /nfs/dbraw/zinc/35/19/31/296351931.db2.gz NCHNJGSWOHCSAV-LSDHHAIUSA-N 2 0 305.466 2.822 20 0 DFADRP C[C@H]([NH2+][C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)C1CCOCC1 ZINC000422895811 296352155 /nfs/dbraw/zinc/35/21/55/296352155.db2.gz WTZNOIXTWXDBMT-YJLNNSPDSA-N 2 0 316.445 2.647 20 0 DFADRP CC[NH+](CC)CCOc1ccc(C[NH2+][C@@H]2CCC[C@@H]2C[NH3+])cc1 ZINC000422895638 296352235 /nfs/dbraw/zinc/35/22/35/296352235.db2.gz WLPBVQZQQAUUFV-IEBWSBKVSA-N 3 0 319.493 2.624 20 0 DFADRP c1ccc(C[NH+]2CCC(C[NH2+]C3C[C@H]4CC[C@@H](C3)[NH2+]4)CC2)cc1 ZINC000422906203 296354159 /nfs/dbraw/zinc/35/41/59/296354159.db2.gz ULUQRBVYXANICQ-YOFSQIOKSA-N 3 0 313.489 2.771 20 0 DFADRP C[C@@H](CCCC[NH3+])[NH2+]CCc1nc(-c2ccncc2)cs1 ZINC000422908596 296354492 /nfs/dbraw/zinc/35/44/92/296354492.db2.gz DIRCCKMGKAGBBO-ZDUSSCGKSA-N 2 0 304.463 2.855 20 0 DFADRP Fc1cccc(CCC[NH2+][C@@H]2CCOC[C@H]2[C@H]2CCC[NH2+]2)c1 ZINC000422910459 296354686 /nfs/dbraw/zinc/35/46/86/296354686.db2.gz QNQLUQJTYPTWGA-RCCFBDPRSA-N 2 0 306.425 2.505 20 0 DFADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]CCc1nc(-c2ccncc2)cs1 ZINC000422914591 296355315 /nfs/dbraw/zinc/35/53/15/296355315.db2.gz UVZWDZMJSMKGGS-HIFRSBDPSA-N 2 0 316.474 2.725 20 0 DFADRP FC(F)(F)CC[NH2+][C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422917442 296355361 /nfs/dbraw/zinc/35/53/61/296355361.db2.gz DWVAUHTYWMOYPF-JSGCOSHPSA-N 2 0 300.324 2.784 20 0 DFADRP Cc1ccoc1C(=O)NCCC[NH2+][C@@H](C)C[C@@H]1CCCCC[NH2+]1 ZINC000422922332 296355592 /nfs/dbraw/zinc/35/55/92/296355592.db2.gz PZKLCHGMLDTOKP-HOTGVXAUSA-N 2 0 321.465 2.608 20 0 DFADRP C[C@H]([NH3+])[C@H]1COCC[C@H]1[NH2+]CC1(Cc2ccccc2)CCC1 ZINC000422926752 296356158 /nfs/dbraw/zinc/35/61/58/296356158.db2.gz DVGSTILNHRGYAK-CGTJXYLNSA-N 2 0 302.462 2.741 20 0 DFADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]Cc1ccc(Br)s1 ZINC000422925269 296355951 /nfs/dbraw/zinc/35/59/51/296355951.db2.gz ATUIZYQVGGDUMT-KOLCDFICSA-N 2 0 303.269 2.988 20 0 DFADRP CC(C)[C@@H](CN[C@H](C)C[C@H](C)[NH3+])[N@@H+]1CCc2ccccc2C1 ZINC000422925605 296356024 /nfs/dbraw/zinc/35/60/24/296356024.db2.gz BIPYLAXEGWVCAA-FRQCXROJSA-N 2 0 303.494 2.785 20 0 DFADRP CC(C)[C@H](CN[C@@H](C)C[C@H](C)[NH3+])[N@@H+]1CCc2ccccc2C1 ZINC000422925603 296356098 /nfs/dbraw/zinc/35/60/98/296356098.db2.gz BIPYLAXEGWVCAA-BXWFABGCSA-N 2 0 303.494 2.785 20 0 DFADRP COc1ccc(Cl)cc1N1CC[C@H]([NH2+][C@H](C)[C@@H]2CC[NH2+]C2)C1 ZINC000422911468 296354989 /nfs/dbraw/zinc/35/49/89/296354989.db2.gz SXIVMPCFLDMANL-NFAWXSAZSA-N 2 0 323.868 2.515 20 0 DFADRP COC[C@H](CCC[NH3+])[NH2+][C@H](C)[C@H](OC)c1ccc(Cl)cc1 ZINC000422912427 296355076 /nfs/dbraw/zinc/35/50/76/296355076.db2.gz NDLLPBPZGDMJNG-KCXAZCMYSA-N 2 0 314.857 2.760 20 0 DFADRP [NH3+][C@@H]1CCCCC[C@H]1[NH2+]CCc1cc(Cl)c2c(c1)OCCO2 ZINC000422929433 296356722 /nfs/dbraw/zinc/35/67/22/296356722.db2.gz PZQSOGHLLKYNNQ-HUUCEWRRSA-N 2 0 324.852 2.903 20 0 DFADRP C[C@@H]([NH3+])C[C@@H](C)[NH2+]CCc1ccc(F)c(Br)c1 ZINC000422931134 296356825 /nfs/dbraw/zinc/35/68/25/296356825.db2.gz AQWIWNGXCQMXRQ-NXEZZACHSA-N 2 0 303.219 2.846 20 0 DFADRP C[C@H]([NH3+])[C@H]1COCC[C@@H]1[NH2+]CCOc1ccc(C(C)(C)C)cc1 ZINC000422929771 296356904 /nfs/dbraw/zinc/35/69/04/296356904.db2.gz RMKUMOOUCFHVTB-QGTPRVQTSA-N 2 0 320.477 2.705 20 0 DFADRP CCOC(=O)C1([C@@H](C)[NH2+]CC2(C)CCCCC2)CC[NH2+]CC1 ZINC000422927931 296356362 /nfs/dbraw/zinc/35/63/62/296356362.db2.gz HWDLGOCJLSMASS-OAHLLOKOSA-N 2 0 310.482 2.868 20 0 DFADRP CCCC1(C[NH2+][C@H](C)C2(C(=O)OCC)CC[NH2+]CC2)CCC1 ZINC000422928080 296356403 /nfs/dbraw/zinc/35/64/03/296356403.db2.gz ISNXXQRXHTWROF-OAHLLOKOSA-N 2 0 310.482 2.868 20 0 DFADRP C[C@@H](CCC[NH3+])[NH2+]CCOc1ccc(Br)cc1 ZINC000422936751 296357933 /nfs/dbraw/zinc/35/79/33/296357933.db2.gz BRSGCUDOCCQXLN-NSHDSACASA-N 2 0 301.228 2.545 20 0 DFADRP COC[C@@H](CCC[NH3+])[NH2+]Cc1ccc(-c2csc(C)n2)o1 ZINC000422936614 296357959 /nfs/dbraw/zinc/35/79/59/296357959.db2.gz FJZCXQDIHOVBBL-GFCCVEGCSA-N 2 0 309.435 2.555 20 0 DFADRP CCc1noc(-c2ccc(CC[NH2+][C@@H](C)CCC[NH3+])cc2)n1 ZINC000422938687 296358247 /nfs/dbraw/zinc/35/82/47/296358247.db2.gz DXZGSLHFAURLBE-ZDUSSCGKSA-N 2 0 302.422 2.559 20 0 DFADRP C[C@H](CCC[NH3+])[NH2+]Cc1ccccc1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000422940118 296358362 /nfs/dbraw/zinc/35/83/62/296358362.db2.gz IRMSHBJWSSYCPM-ZACQAIPSSA-N 3 0 319.493 2.513 20 0 DFADRP CCCCNC(=O)c1ccc(C[NH2+][C@@H]2CC[NH2+]CC[C@H]2C)cc1 ZINC000422942754 296358503 /nfs/dbraw/zinc/35/85/03/296358503.db2.gz PYJDWASMSBMWPS-CRAIPNDOSA-N 2 0 317.477 2.694 20 0 DFADRP [NH3+]C[C@@H]1CCC[C@H]1[NH2+]CCCC(=O)Nc1ccc(Cl)cc1 ZINC000422947903 296359347 /nfs/dbraw/zinc/35/93/47/296359347.db2.gz QTMFQWVWEVTSMI-SWLSCSKDSA-N 2 0 309.841 2.776 20 0 DFADRP CSc1ccc(OCC[N@@H+]2CCC[C@@H]3C[NH2+]CC[C@@H]32)cc1 ZINC000631887588 399519988 /nfs/dbraw/zinc/51/99/88/399519988.db2.gz PEFXATZKAATOIR-PBHICJAKSA-N 2 0 306.475 2.861 20 0 DFADRP COc1cccc(SCC[N@@H+]2CCC[C@@H]3C[NH2+]CC[C@@H]32)c1 ZINC000631889825 399520020 /nfs/dbraw/zinc/52/00/20/399520020.db2.gz KAYAAKMYWWMUTR-PBHICJAKSA-N 2 0 306.475 2.861 20 0 DFADRP CC(C)c1ccc([C@@H]([NH3+])CNC(=O)c2ccc3c(c2)C[NH2+]C3)cc1 ZINC000347503767 285061970 /nfs/dbraw/zinc/06/19/70/285061970.db2.gz XEIMWYBEPIKTRB-IBGZPJMESA-N 2 0 323.440 2.843 20 0 DFADRP CCC(C)(C)[NH2+][C@H](C)C(=O)N1CC[NH+](CCC(C)(C)C)CC1 ZINC000347510375 285065156 /nfs/dbraw/zinc/06/51/56/285065156.db2.gz BBUPESPEESCHGE-OAHLLOKOSA-N 2 0 311.514 2.734 20 0 DFADRP C[C@@H](Nc1cccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1)[C@@H]1CC[NH2+]C1 ZINC000422956293 296360723 /nfs/dbraw/zinc/36/07/23/296360723.db2.gz PDAMFQHKXJSZNW-KYHPRHEASA-N 2 0 317.477 2.706 20 0 DFADRP CC(C)c1ccccc1OCC[NH2+][C@@H]1CCOC[C@@H]1[C@@H](C)[NH3+] ZINC000422955563 296360733 /nfs/dbraw/zinc/36/07/33/296360733.db2.gz JNYLCQBKVLDQOO-DJIMGWMZSA-N 2 0 306.450 2.531 20 0 DFADRP C[C@@H]([NH2+]CCc1nc(-c2ccc(Cl)cc2)no1)[C@@H]1CC[NH2+]C1 ZINC000422958762 296360967 /nfs/dbraw/zinc/36/09/67/296360967.db2.gz PUXHBUNXXGPGMR-DGCLKSJQSA-N 2 0 320.824 2.520 20 0 DFADRP C[C@H](CCC[NH3+])[NH2+]CCc1nc(-c2ccc(Cl)cc2)no1 ZINC000422959471 296361029 /nfs/dbraw/zinc/36/10/29/296361029.db2.gz SEBDZKGXGKEXTJ-LLVKDONJSA-N 2 0 308.813 2.650 20 0 DFADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]Cc1ccnc(OC2CCCC2)c1 ZINC000422962359 296361553 /nfs/dbraw/zinc/36/15/53/296361553.db2.gz FMSIOJWLGPJZIP-PBHICJAKSA-N 2 0 303.450 2.881 20 0 DFADRP [NH3+]C[C@@H]1CCC[C@@H]1Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000422957537 296361126 /nfs/dbraw/zinc/36/11/26/296361126.db2.gz UQULEBHRBYICJS-RDJZCZTQSA-N 2 0 305.491 2.775 20 0 DFADRP CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1c1nc2ccccc2n2cncc12 ZINC000624024174 399527634 /nfs/dbraw/zinc/52/76/34/399527634.db2.gz ZXUDYDIOXKRHMQ-HUUCEWRRSA-N 2 0 321.428 2.946 20 0 DFADRP C[NH+](C)Cc1ccc(-c2ccccc2CN[C@H]2CC[NH2+]C2)cc1 ZINC000422969662 296363011 /nfs/dbraw/zinc/36/30/11/296363011.db2.gz VBCVTNNDWKDOGW-IBGZPJMESA-N 2 0 309.457 2.867 20 0 DFADRP CC(C)C[C@H](C)Oc1cc(C[NH2+][C@H](C)[C@@H]2CC[NH2+]C2)ccn1 ZINC000422982413 296363976 /nfs/dbraw/zinc/36/39/76/296363976.db2.gz WPSOZMJTUKLLER-ZMSDIMECSA-N 2 0 305.466 2.983 20 0 DFADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]CCC[C@H]1CCCC[C@H]1O ZINC000422995213 296365090 /nfs/dbraw/zinc/36/50/90/296365090.db2.gz XJEYXESMBGSHIK-JCKWVBRZSA-N 2 0 305.466 2.831 20 0 DFADRP C[C@@H]([NH2+]Cc1cccc(COCC(F)(F)F)c1)[C@@H]1CC[NH2+]C1 ZINC000422997187 296365210 /nfs/dbraw/zinc/36/52/10/296365210.db2.gz AULDWBLXFMQTCI-IUODEOHRSA-N 2 0 316.367 2.853 20 0 DFADRP C[C@H]1C[C@H](CC[NH2+]C2CC[NH2+]CC2)C[N@@H+]1Cc1ccccc1 ZINC000422997478 296365232 /nfs/dbraw/zinc/36/52/32/296365232.db2.gz BJKNLJGIQWORTJ-WMZOPIPTSA-N 3 0 301.478 2.629 20 0 DFADRP Cc1cc(C[C@@H](C)[NH2+][C@@H]2CCC[NH2+]CC2)n(-c2ccccc2)n1 ZINC000422994501 296364780 /nfs/dbraw/zinc/36/47/80/296364780.db2.gz HXFXWLPZOXXZFX-NVXWUHKLSA-N 2 0 312.461 2.843 20 0 DFADRP COCCCOc1cccc(C[NH2+][C@@H]2CC[NH2+]CC[C@@H]2C)c1 ZINC000423002089 296365812 /nfs/dbraw/zinc/36/58/12/296365812.db2.gz IUDGBPWUDANFSP-MAUKXSAKSA-N 2 0 306.450 2.580 20 0 DFADRP COCCCOc1cccc(C[NH2+][C@@H]2CCCC[C@@H]2C[NH3+])c1 ZINC000423001032 296365839 /nfs/dbraw/zinc/36/58/39/296365839.db2.gz HJZDRPMDUTVRJR-SJLPKXTDSA-N 2 0 306.450 2.709 20 0 DFADRP CCC(CC)[C@H](CC[NH2+][C@@H]1CCOC[C@H]1[C@@H]1CCC[NH2+]1)OC ZINC000423001096 296366002 /nfs/dbraw/zinc/36/60/02/296366002.db2.gz WMSHUIMKLQAWPA-FJIDUMEYSA-N 2 0 312.498 2.574 20 0 DFADRP Cc1cn2c(n1)[C@H](C[NH2+][C@@H](C)C[C@H]1CCCCC[NH2+]1)CCC2 ZINC000423004102 296366113 /nfs/dbraw/zinc/36/61/13/296366113.db2.gz JEHVFAFUEYILDE-BHYGNILZSA-N 2 0 304.482 2.969 20 0 DFADRP C[C@H]1C[C@@H](CC[NH2+][C@H]2CNCC[C@H]2C)C[N@@H+]1Cc1ccccc1 ZINC000423006554 296366737 /nfs/dbraw/zinc/36/67/37/296366737.db2.gz VTDGRWSYWSYCQU-BWPNAZKDSA-N 2 0 315.505 2.875 20 0 DFADRP Cc1cn2c(n1)[C@H](C[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1)CCC2 ZINC000423005737 296366806 /nfs/dbraw/zinc/36/68/06/296366806.db2.gz NDCBBALCTHGEJZ-YLFCFFPRSA-N 2 0 302.466 2.579 20 0 DFADRP C[C@H]([NH2+]CC[C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1)[C@H]1CC[NH2+]C1 ZINC000423006776 296366826 /nfs/dbraw/zinc/36/68/26/296366826.db2.gz WIDPQDBNBPTAFX-XEYPJELSSA-N 3 0 315.505 2.875 20 0 DFADRP COc1ccc([C@H](OC)[C@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000423015166 296367745 /nfs/dbraw/zinc/36/77/45/296367745.db2.gz KCONTTGERFBLDT-MIBDQSOXSA-N 2 0 304.434 2.644 20 0 DFADRP C[C@H](Cc1cc(Br)ccc1F)[NH2+][C@H](C)C1C[NH2+]C1 ZINC000423013482 296367757 /nfs/dbraw/zinc/36/77/57/296367757.db2.gz MXCVVZBPAGGSCT-NXEZZACHSA-N 2 0 315.230 2.717 20 0 DFADRP CC[C@H]([NH2+][C@H](C)C[C@@H](C)[NH3+])[C@H](c1ccc(C)cc1)n1cncn1 ZINC000423015495 296368117 /nfs/dbraw/zinc/36/81/17/296368117.db2.gz RGCQEWAHKBIWAY-LMSBXDPUSA-N 2 0 315.465 2.670 20 0 DFADRP Fc1ccc2c(c1)CCC[C@@H]2[NH2+][C@@H]1CCOC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000423023887 296369021 /nfs/dbraw/zinc/36/90/21/296369021.db2.gz KRPAYGXGLIFYHM-YDZRNGNQSA-N 2 0 318.436 2.950 20 0 DFADRP [NH3+]C[C@@H]1CCC[C@H]1[NH2+]CCCc1nc(-c2ccc(F)cc2)no1 ZINC000423027004 296369429 /nfs/dbraw/zinc/36/94/29/296369429.db2.gz CQJUTWAXLACEKY-DZGCQCFKSA-N 2 0 318.396 2.525 20 0 DFADRP Cc1nn(C)c(C)c1CCC[NH2+][C@@H](C)C[C@H]1CCCCC[NH2+]1 ZINC000423018897 296368374 /nfs/dbraw/zinc/36/83/74/296368374.db2.gz SIGKPCJXSMMKMQ-WMLDXEAASA-N 2 0 306.498 2.870 20 0 DFADRP CN1CC[C@H]([NH2+][C@@H]2CCC[NH2+]CC2)[C@@H]1c1ccc(Cl)cc1 ZINC000423017983 296368395 /nfs/dbraw/zinc/36/83/95/296368395.db2.gz XUSWPAMHWIXJEZ-IKGGRYGDSA-N 2 0 307.869 2.817 20 0 DFADRP CC(C)[NH+]1CCN(c2cccc(N[C@@H]3CCC[C@H]3[NH3+])c2)CC1 ZINC000423021541 296368819 /nfs/dbraw/zinc/36/88/19/296368819.db2.gz CDKDULSUVOEEKG-QZTJIDSGSA-N 2 0 302.466 2.509 20 0 DFADRP CC(C)[NH+]1CCN(c2cccc(N[C@H]3C[NH2+]CC[C@H]3C)c2)CC1 ZINC000423022395 296368846 /nfs/dbraw/zinc/36/88/46/296368846.db2.gz FDRUWERELOPLFF-APWZRJJASA-N 2 0 316.493 2.627 20 0 DFADRP C[C@@H]([NH3+])C[C@@H](C)[NH2+]CCCc1nc(-c2ccc(F)cc2)no1 ZINC000423030942 296369801 /nfs/dbraw/zinc/36/98/01/296369801.db2.gz KJHQFBPSQSGLTL-VXGBXAGGSA-N 2 0 306.385 2.524 20 0 DFADRP CCOC(=O)C1([C@H](C)[NH2+][C@@H]2CC[C@H](C)[C@@H](C)C2)CC[NH2+]CC1 ZINC000423037120 296370503 /nfs/dbraw/zinc/37/05/03/296370503.db2.gz MLTJYMQKVNMSIN-YHUYYLMFSA-N 2 0 310.482 2.722 20 0 DFADRP Fc1ccc(N2CC[C@H]([NH2+][C@@H]3CCC[NH2+]CC3)C2)cc1Cl ZINC000423037850 296370518 /nfs/dbraw/zinc/37/05/18/296370518.db2.gz CGMPXKUZEAXDAS-OLZOCXBDSA-N 2 0 311.832 2.790 20 0 DFADRP O[C@H](CCc1ccccc1)C[NH2+][C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1 ZINC000423038248 296370635 /nfs/dbraw/zinc/37/06/35/296370635.db2.gz YAJHOVZZUSSMSP-IYWMVGAKSA-N 2 0 316.489 2.881 20 0 DFADRP COC[C@@H](CCC[NH3+])[NH2+][C@@H](C)Cc1ccccc1C(F)(F)F ZINC000423038107 296370644 /nfs/dbraw/zinc/37/06/44/296370644.db2.gz CQAXZGOHFNAOMR-GXTWGEPZSA-N 2 0 318.383 2.980 20 0 DFADRP Cc1nc(C[NH3+])ccc1[C@@H](C)NCC1(C[NH+](C)C)CCCC1 ZINC000423039683 296370739 /nfs/dbraw/zinc/37/07/39/296370739.db2.gz QYDIGDSHWHLMEL-CQSZACIVSA-N 2 0 304.482 2.621 20 0 DFADRP CC(C)N1CC[C@@H]([NH2+][C@@H](C)C2C[NH2+]C2)[C@H]1c1ccc(F)c(F)c1 ZINC000423042613 296370962 /nfs/dbraw/zinc/37/09/62/296370962.db2.gz LKGBYHOMNMCMAJ-JBBXEZCESA-N 2 0 323.431 2.686 20 0 DFADRP COc1cccc([C@@H]2[C@@H]([NH2+][C@@H](C)CCC[NH3+])CCN2C2CC2)c1 ZINC000423044700 296371244 /nfs/dbraw/zinc/37/12/44/296371244.db2.gz RHSKTPNKVIMCOU-ZOCIIQOWSA-N 2 0 317.477 2.690 20 0 DFADRP Clc1ccc(N2CC[C@H]([NH2+]C3CC[NH2+]CC3)C2)cc1Cl ZINC000423045823 296371529 /nfs/dbraw/zinc/37/15/29/296371529.db2.gz SRVRYGMZTDQDQA-LBPRGKRZSA-N 2 0 314.260 2.914 20 0 DFADRP CC(C)(C)[C@H]1CCCC[C@H]1[NH2+]CCCN1CCC[C@H]1C(N)=O ZINC000624085233 399548551 /nfs/dbraw/zinc/54/85/51/399548551.db2.gz FZJMXPXIZDCAQX-XHSDSOJGSA-N 2 0 309.498 2.521 20 0 DFADRP CCO[C@@H]1C[C@H]([NH2+][C@H](C)C[C@@H]2CCCCC[NH2+]2)C12CCOCC2 ZINC000423054376 296372661 /nfs/dbraw/zinc/37/26/61/296372661.db2.gz UQTLDASKTPNQDL-VSZNYVQBSA-N 2 0 324.509 2.861 20 0 DFADRP COC[C@H](CCC[NH3+])[NH2+][C@@H]1C[C@@H](OCc2ccccc2)C1(C)C ZINC000423055080 296372778 /nfs/dbraw/zinc/37/27/78/296372778.db2.gz VRJNASKECNQJDX-RCCFBDPRSA-N 2 0 320.477 2.714 20 0 DFADRP CC[C@H]([NH2+]C[C@H]1Cc2ccccc2N(C)C1)[C@@H]1CCCC[NH2+]1 ZINC000423054907 296372858 /nfs/dbraw/zinc/37/28/58/296372858.db2.gz CFZAVZBNNOGKIU-NJAFHUGGSA-N 2 0 301.478 2.805 20 0 DFADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]C[C@]1(O)CCC[C@H](C(F)(F)F)C1 ZINC000423058765 296373197 /nfs/dbraw/zinc/37/31/97/296373197.db2.gz DALKEBVMNTXRKV-XUXIUFHCSA-N 2 0 308.388 2.577 20 0 DFADRP CCOC(=O)C1([C@H](C)[NH2+][C@H]2CCC[C@H](C)CC2)CC[NH2+]CC1 ZINC000423057392 296373325 /nfs/dbraw/zinc/37/33/25/296373325.db2.gz HJKCBIMSOOCIQR-JYJNAYRXSA-N 2 0 310.482 2.866 20 0 DFADRP C[NH+](C)[C@H](CNC(=O)c1ccc2c(c1)C[NH2+]C2)C1CCCCC1 ZINC000347643659 285110639 /nfs/dbraw/zinc/11/06/39/285110639.db2.gz BESHMTCFEBCCFI-GOSISDBHSA-N 2 0 315.461 2.530 20 0 DFADRP C[C@@H](NC[C@H](C1CC1)[N@H+](C)Cc1ccccc1)[C@H]1CCC[NH2+]1 ZINC000423059355 296373147 /nfs/dbraw/zinc/37/31/47/296373147.db2.gz FKIDQLCDZVIJQG-ATZDWAIDSA-N 2 0 301.478 2.627 20 0 DFADRP Cc1ccccc1[C@H]([C@H](C)NC1C[C@H]2CC[C@@H](C1)[NH2+]2)[NH+](C)C ZINC000423064659 296374199 /nfs/dbraw/zinc/37/41/99/296374199.db2.gz ZKEMFHJTAMWDQR-KEOQEEGVSA-N 2 0 301.478 2.859 20 0 DFADRP C[C@@H]1CC[NH2+]CC[C@@H]1NC[C@H](C1CC1)[N@H+](C)Cc1ccccc1 ZINC000423066569 296374316 /nfs/dbraw/zinc/37/43/16/296374316.db2.gz XDXHBBQNLHIJDC-LSTHTHJFSA-N 2 0 315.505 2.875 20 0 DFADRP CO[C@H](CC[NH2+][C@H](Cc1ccccc1)[C@H](C)[NH3+])C(F)(F)F ZINC000423067099 296374439 /nfs/dbraw/zinc/37/44/39/296374439.db2.gz GIAFYROSOGJWNX-IACUBPJLSA-N 2 0 304.356 2.502 20 0 DFADRP [NH3+][C@H]1CCCCC[C@H]1[NH2+]CCN1CCc2c(Cl)cccc2C1 ZINC000423063362 296373853 /nfs/dbraw/zinc/37/38/53/296373853.db2.gz WEAYDILMYPVYQL-ZWKOTPCHSA-N 2 0 321.896 2.948 20 0 DFADRP CCCNc1ccc(C[NH2+][C@@H]2CCOC[C@@H]2[C@H]2CCC[NH2+]2)cc1 ZINC000423073008 296375339 /nfs/dbraw/zinc/37/53/39/296375339.db2.gz IBCQTEIPRGWUCQ-GUDVDZBRSA-N 2 0 317.477 2.755 20 0 DFADRP CC(C)[C@H](C[NH2+][C@@H]1CCOC[C@@H]1[C@H](C)[NH3+])Cc1ccccc1 ZINC000423067451 296374630 /nfs/dbraw/zinc/37/46/30/296374630.db2.gz HCXLBZZGDJMHCP-GDAAHCPNSA-N 2 0 304.478 2.843 20 0 DFADRP OC[C@H](Cc1ccc(F)cc1)[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1 ZINC000423071723 296374915 /nfs/dbraw/zinc/37/49/15/296374915.db2.gz IBZNYAUGQZAOOE-WJFTUGDTSA-N 2 0 320.452 2.630 20 0 DFADRP C[C@](CO)(C[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1)Cc1ccccc1 ZINC000423077234 296375615 /nfs/dbraw/zinc/37/56/15/296375615.db2.gz LSKOCAQKPBQZQF-UAFMIMERSA-N 2 0 316.489 2.738 20 0 DFADRP Cc1nc(C[NH3+])ccc1[C@H](C)NCC(C)(C)C[NH+]1CCCC1 ZINC000423078766 296375973 /nfs/dbraw/zinc/37/59/73/296375973.db2.gz PGMAHFKCWHWSNH-AWEZNQCLSA-N 2 0 304.482 2.621 20 0 DFADRP CC[NH+](CC)[C@H](C)CN[C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423086673 296376614 /nfs/dbraw/zinc/37/66/14/296376614.db2.gz NRHKPEJDSIETJK-HHXXYDBFSA-N 2 0 317.477 2.562 20 0 DFADRP CC[NH+](CC)[C@H](C)CN[C@H](c1ccc(OC)cc1)[C@@H]1CCC[NH2+]1 ZINC000423087796 296376835 /nfs/dbraw/zinc/37/68/35/296376835.db2.gz QKHXWQCKFVMVFH-AYOQOUSVSA-N 2 0 319.493 2.808 20 0 DFADRP C[C@@H]([NH3+])C[C@H](C)NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000423091308 296377158 /nfs/dbraw/zinc/37/71/58/296377158.db2.gz ZWBJRLJBHHGJHM-UJLSLHKQSA-N 2 0 307.404 2.507 20 0 DFADRP c1cc(C2CC2)ccc1C[NH2+][C@@H]1CCOC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000423083289 296376354 /nfs/dbraw/zinc/37/63/54/296376354.db2.gz YNRSJJBZPGCRDH-GUDVDZBRSA-N 2 0 300.446 2.811 20 0 DFADRP C[C@@H]([NH3+])[C@@H](Cc1ccccc1)NC1CC([NH+]2CCCCC2)C1 ZINC000423095489 296377893 /nfs/dbraw/zinc/37/78/93/296377893.db2.gz MNLHPROPRJWWKC-JYPHPWERSA-N 2 0 301.478 2.551 20 0 DFADRP CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)C1 ZINC000423094687 296377548 /nfs/dbraw/zinc/37/75/48/296377548.db2.gz KLUWVALDSRBXBS-BPKGMFCQSA-N 2 0 308.466 2.619 20 0 DFADRP CC[C@@H]([NH2+][C@H]1CC[C@@H](C(=O)N2CCCCC2)C1)[C@H]1CCCC[NH2+]1 ZINC000423092615 296377656 /nfs/dbraw/zinc/37/76/56/296377656.db2.gz CQWALDHRQRRNIK-XMTFNYHQSA-N 2 0 321.509 2.678 20 0 DFADRP CC(C)[C@H](C(=O)NC[C@H]1CC[N@@H+](C(C)(C)C)C1)[NH+]1CCCCC1 ZINC000616994075 399557289 /nfs/dbraw/zinc/55/72/89/399557289.db2.gz UDZCWIUGYPZMCF-IAGOWNOFSA-N 2 0 323.525 2.734 20 0 DFADRP C[C@H]([NH3+])[C@H]1COCC[C@H]1[NH2+]CCn1ccc2cc(Cl)ccc21 ZINC000423098655 296378168 /nfs/dbraw/zinc/37/81/68/296378168.db2.gz DDOFYAGFVLCRLL-APHBMKBZSA-N 2 0 321.852 2.637 20 0 DFADRP C[NH+](C)C[C@H](NC1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccc(Cl)cc1 ZINC000423101128 296378209 /nfs/dbraw/zinc/37/82/09/296378209.db2.gz IBRMDAPQLZMEEU-WFVVYAPDSA-N 2 0 307.869 2.815 20 0 DFADRP C[C@H]1CN(C)C[C@H]1[NH2+]Cc1ccccc1C[NH+]1CCC(C)CC1 ZINC000347683479 285128838 /nfs/dbraw/zinc/12/88/38/285128838.db2.gz JEZYUQFGCCHCMD-FXAWDEMLSA-N 2 0 315.505 2.958 20 0 DFADRP C[C@H](CC(=O)Nc1ccc(F)cc1)[NH2+]C[C@H]1CCCC[N@H+](C)C1 ZINC000624120050 399558966 /nfs/dbraw/zinc/55/89/66/399558966.db2.gz QKTPLWNSEULUJI-HUUCEWRRSA-N 2 0 321.440 2.864 20 0 DFADRP CCN1CCO[C@@H](C[NH2+][C@H](C)CCCC[NH3+])[C@@H]1c1ccccc1 ZINC000423101201 296378085 /nfs/dbraw/zinc/37/80/85/296378085.db2.gz IHFRZIYMKMYCQZ-NEWSRXKRSA-N 2 0 319.493 2.556 20 0 DFADRP COCCCOc1ccc(C[NH2+][C@H]2CC[NH2+]CC[C@H]2C)cc1 ZINC000423107064 296379007 /nfs/dbraw/zinc/37/90/07/296379007.db2.gz PFDHNNJHKQNEKW-QAPCUYQASA-N 2 0 306.450 2.580 20 0 DFADRP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1[NH2+]C1CC(c2cccc(Cl)c2)C1 ZINC000423113060 296379975 /nfs/dbraw/zinc/37/99/75/296379975.db2.gz YGHIFXGHUUQSSO-KLQNOENESA-N 2 0 308.853 2.928 20 0 DFADRP CSCc1ccc(C[NH2+][C@@H]2CCOC[C@H]2[C@@H]2CCC[NH2+]2)cc1 ZINC000423112600 296380046 /nfs/dbraw/zinc/38/00/46/296380046.db2.gz SEVQPTWKGSCIRM-OKZBNKHCSA-N 2 0 320.502 2.796 20 0 DFADRP FC1(F)CCC(C[NH2+][C@@H]2CCOC[C@H]2[C@H]2CCC[NH2+]2)CC1 ZINC000423117536 296380413 /nfs/dbraw/zinc/38/04/13/296380413.db2.gz VVPAYFPDYLUFSL-RRFJBIMHSA-N 2 0 302.409 2.559 20 0 DFADRP C[C@@H](C[C@@H]1COCCN1)[NH2+]C[C@H]1CCCC[C@H]1C(F)(F)F ZINC000423118452 296380629 /nfs/dbraw/zinc/38/06/29/296380629.db2.gz AQCPSUTWGKUKNY-REWJHTLYSA-N 2 0 308.388 2.712 20 0 DFADRP Cc1cc(CN[C@@H]2CCCCC[C@@H]2[NH3+])cc(N2CCCC2)n1 ZINC000423120897 296380689 /nfs/dbraw/zinc/38/06/89/296380689.db2.gz HTRNIIUYUCFSQU-DLBZAZTESA-N 2 0 302.466 2.740 20 0 DFADRP Cc1cc(CN[C@@H]2CCCCC[C@H]2[NH3+])cc(N2CCCC2)n1 ZINC000423120898 296380719 /nfs/dbraw/zinc/38/07/19/296380719.db2.gz HTRNIIUYUCFSQU-IAGOWNOFSA-N 2 0 302.466 2.740 20 0 DFADRP CCc1ccc([C@H](CN[C@H](C)C2C[NH2+]C2)[NH+](CC)CC)cc1 ZINC000423127192 296381812 /nfs/dbraw/zinc/38/18/12/296381812.db2.gz JQPAONCUHCSHNY-BEFAXECRSA-N 2 0 303.494 2.829 20 0 DFADRP c1ccc2c(c1)O[C@]1(CC[NH2+]C1)C[C@@H]2[NH2+]C[C@@H]1CCCSC1 ZINC000423135966 296383118 /nfs/dbraw/zinc/38/31/18/296383118.db2.gz YLSIHAJRXBVCQN-QILLFSRXSA-N 2 0 318.486 2.975 20 0 DFADRP CCOC(=O)C1([C@@H](C)[NH2+][C@H]2CC[C@H](CC)CC2)CC[NH2+]CC1 ZINC000423133345 296382497 /nfs/dbraw/zinc/38/24/97/296382497.db2.gz QEVUHHIYKVBIOM-BZUAXINKSA-N 2 0 310.482 2.866 20 0 DFADRP [NH3+][C@@H]1CCCCC[C@H]1[NH2+]C[C@@H]1CCN(c2ccccc2F)C1 ZINC000423141492 296383820 /nfs/dbraw/zinc/38/38/20/296383820.db2.gz QJEMQBLLGVTAMM-USXIJHARSA-N 2 0 305.441 2.902 20 0 DFADRP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+]C[C@@H]1CCN(c2ccccc2F)C1 ZINC000423141491 296383973 /nfs/dbraw/zinc/38/39/73/296383973.db2.gz QJEMQBLLGVTAMM-UAGQMJEPSA-N 2 0 305.441 2.902 20 0 DFADRP C[C@@H](CCC[NH3+])[NH2+]CCc1cnc(SC2CCCC2)nc1 ZINC000423140367 296383981 /nfs/dbraw/zinc/38/39/81/296383981.db2.gz XYKCLODEHPXLLH-ZDUSSCGKSA-N 2 0 308.495 2.771 20 0 DFADRP CSc1ccc([C@H](CN[C@H]2C[NH2+]CC[C@@H]2C)[NH+](C)C)cc1 ZINC000423143382 296384211 /nfs/dbraw/zinc/38/42/11/296384211.db2.gz CVNPGPWBTBXSIS-JQFCIGGWSA-N 2 0 307.507 2.599 20 0 DFADRP COc1ccc(CC[NH2+][C@@H](C)CCC[NH3+])c(Cl)c1OC ZINC000423139900 296383371 /nfs/dbraw/zinc/38/33/71/296383371.db2.gz WUKARSRHURFJMI-NSHDSACASA-N 2 0 300.830 2.617 20 0 DFADRP CCOC(=O)C1([C@H](C)[NH2+]C2CC(C(C)(C)C)C2)CC[NH2+]CC1 ZINC000423138092 296383466 /nfs/dbraw/zinc/38/34/66/296383466.db2.gz SAUZUTJEPYGBAP-NFOMZHRRSA-N 2 0 310.482 2.722 20 0 DFADRP CC[C@H](COCC(F)(F)F)[NH2+][C@H](C)c1ccc(C[NH3+])nc1C ZINC000423145763 296384792 /nfs/dbraw/zinc/38/47/92/296384792.db2.gz MIJWRZPSZQPUTG-ZYHUDNBSSA-N 2 0 319.371 2.857 20 0 DFADRP COC[C@@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccc(Cl)cc1 ZINC000423148634 296385025 /nfs/dbraw/zinc/38/50/25/296385025.db2.gz GGWUMQVNCKQPJI-KTFSGNIMSA-N 2 0 308.853 2.943 20 0 DFADRP Fc1ccc(C2CC2)cc1C[NH2+][C@@H]1CCC[C@H]1[C@@H]1COCCN1 ZINC000423149846 296385320 /nfs/dbraw/zinc/38/53/20/296385320.db2.gz XZHVEQXEZLQAKT-QRQLOZEOSA-N 2 0 318.436 2.950 20 0 DFADRP CCOC(=O)C1([C@H](C)[NH2+][C@H]2C[C@@]2(CC)C(C)C)CC[NH2+]CC1 ZINC000423157055 296386203 /nfs/dbraw/zinc/38/62/03/296386203.db2.gz AAJJYGUJDLEINM-ZOBUZTSGSA-N 2 0 310.482 2.722 20 0 DFADRP Cc1cc(C[NH2+][C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)ccn1 ZINC000423153427 296385792 /nfs/dbraw/zinc/38/57/92/296385792.db2.gz GMNZONVETIOCCM-IEBWSBKVSA-N 2 0 309.413 2.736 20 0 DFADRP Cc1ccc(C[C@H](CO)[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)cc1C ZINC000423163571 296386958 /nfs/dbraw/zinc/38/69/58/296386958.db2.gz MVGKBPCCPHOYAH-FUMNGEBKSA-N 2 0 316.489 2.717 20 0 DFADRP CC[C@@H]([NH2+][C@@H]1CCO[C@@H](c2ccccn2)C1)[C@@H]1CCCC[NH2+]1 ZINC000423161366 296387074 /nfs/dbraw/zinc/38/70/74/296387074.db2.gz NOUDUOYDYXRWBE-XLMAVXFVSA-N 2 0 303.450 2.812 20 0 DFADRP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]CC(C)(C)C1(O)CCCC1 ZINC000423168334 296387226 /nfs/dbraw/zinc/38/72/26/296387226.db2.gz UJWMTEXSBJXGJW-RDJZCZTQSA-N 2 0 304.478 2.866 20 0 DFADRP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCOC[C@@H]2[C@H]2CCC[NH2+]2)c2ccccc2O1 ZINC000423166377 296387265 /nfs/dbraw/zinc/38/72/65/296387265.db2.gz ZCWRRSHUHAEJRI-JVNHZCFISA-N 2 0 316.445 2.645 20 0 DFADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]CC(C)(C)C1(O)CCCC1 ZINC000423158777 296386564 /nfs/dbraw/zinc/38/65/64/296386564.db2.gz DFWAUZIPIYTIIA-CYBMUJFWSA-N 2 0 305.466 2.831 20 0 DFADRP C[C@@H]([NH2+]CCCN1CC[NH2+]CC1)c1cccc(C(F)(F)F)c1 ZINC000423182087 296389287 /nfs/dbraw/zinc/38/92/87/296389287.db2.gz PSOJWFSFGDYXOR-CYBMUJFWSA-N 2 0 315.383 2.651 20 0 DFADRP C[C@H]1C[C@@H](NCC2([NH3+])CCCCC2)C[N@@H+]1Cc1ccccc1 ZINC000423183448 296389722 /nfs/dbraw/zinc/38/97/22/296389722.db2.gz RXXXJHTXHWOAGO-FUHWJXTLSA-N 2 0 301.478 2.901 20 0 DFADRP Clc1ccccc1C[C@@H]([NH2+]C1CC[NH2+]CC1)[C@@H]1CCCO1 ZINC000423185886 296389787 /nfs/dbraw/zinc/38/97/87/296389787.db2.gz NUMXOFXWTKJXOO-SJORKVTESA-N 2 0 308.853 2.772 20 0 DFADRP Clc1ccc([C@@H]2CC[C@H]([NH2+]CCCN3CC[NH2+]CC3)C2)cc1 ZINC000423195221 296390735 /nfs/dbraw/zinc/39/07/35/296390735.db2.gz YYAYSGLSTGMHAC-AEFFLSMTSA-N 2 0 321.896 2.861 20 0 DFADRP Cc1ccc([C@@H]([NH2+]CCCN2CC[NH2+]CC2)c2ccccc2)cc1 ZINC000423193024 296390805 /nfs/dbraw/zinc/39/08/05/296390805.db2.gz WGEFBTFSXHNCSG-NRFANRHFSA-N 2 0 323.484 2.969 20 0 DFADRP C[C@H](Cc1cn(C)c2ccc(F)cc12)[NH2+][C@H](C)[C@H]1CCC[NH2+]1 ZINC000423195926 296391293 /nfs/dbraw/zinc/39/12/93/296391293.db2.gz YMIYUCRRGVFUMC-PBFPGSCMSA-N 2 0 303.425 2.979 20 0 DFADRP Clc1ccc(C[C@H]2CCC[C@H]2[NH2+]CCN2CC[NH2+]CC2)cc1 ZINC000423203475 296392336 /nfs/dbraw/zinc/39/23/36/296392336.db2.gz MVNMJJFBQDLUAL-SJLPKXTDSA-N 2 0 321.896 2.546 20 0 DFADRP C[C@@H]([NH2+]CCN1CC[NH2+]CC1)c1cc(Cl)ccc1Cl ZINC000423207161 296392420 /nfs/dbraw/zinc/39/24/20/296392420.db2.gz RHXBHCAUQAEYOE-LLVKDONJSA-N 2 0 302.249 2.549 20 0 DFADRP C[C@H]([NH2+][C@@H](C)[C@@H]1CCC[NH2+]C1)c1ccc(OCC[NH+](C)C)cc1 ZINC000423211311 296392745 /nfs/dbraw/zinc/39/27/45/296392745.db2.gz GUZKFLSAMLOSKM-XYJFISCASA-N 3 0 319.493 2.666 20 0 DFADRP C[C@@H]([NH2+][C@@H](C)c1ccc(OCC[NH+](C)C)cc1)[C@@H]1CCC[NH2+]C1 ZINC000423211309 296392756 /nfs/dbraw/zinc/39/27/56/296392756.db2.gz GUZKFLSAMLOSKM-LZLYRXPVSA-N 3 0 319.493 2.666 20 0 DFADRP CC(C)[C@@H]([NH2+]CCN1CC[NH2+]CC1)c1cc2ccccc2o1 ZINC000423210753 296392828 /nfs/dbraw/zinc/39/28/28/296392828.db2.gz XFYQSAFQZSDQET-GOSISDBHSA-N 2 0 301.434 2.625 20 0 DFADRP C[NH2+]CCCN[C@@H]1CC[N@H+](Cc2ccccc2)[C@H]2CCC[C@H]21 ZINC000423200590 296391938 /nfs/dbraw/zinc/39/19/38/296391938.db2.gz MTHAORBOFZVGED-OTWHNJEPSA-N 3 0 301.478 2.629 20 0 DFADRP c1c2c(nn1-c1ccccc1)CCC[C@H]2[NH2+]C[C@H]1CCC[NH2+]C1 ZINC000423212451 296392988 /nfs/dbraw/zinc/39/29/88/296392988.db2.gz LYBFOFUVQGHUDE-MAUKXSAKSA-N 2 0 310.445 2.839 20 0 DFADRP c1ccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@@H](NC[C@H]2CCC[NH2+]C2)C3)cc1 ZINC000423214720 296393026 /nfs/dbraw/zinc/39/30/26/296393026.db2.gz PJOHVOZFSZCNCO-HAGHYFMRSA-N 2 0 313.489 2.771 20 0 DFADRP CC[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccc(C(=O)OC)cc1 ZINC000423216144 296393389 /nfs/dbraw/zinc/39/33/89/296393389.db2.gz PPAZZXUHJAWGPQ-WFVVYAPDSA-N 2 0 302.418 2.797 20 0 DFADRP C[C@H]([NH2+][C@@H](C)[C@H]1CCC[NH2+]C1)c1cccc(N2CCOCC2)c1 ZINC000423219911 296393653 /nfs/dbraw/zinc/39/36/53/296393653.db2.gz UWFJCTDQMBPIOD-BQFCYCMXSA-N 2 0 317.477 2.562 20 0 DFADRP C[C@H](N[C@@H]1CC[N@H+](C)[C@H](c2ccccc2)C1)[C@@H]1CCC[NH2+]C1 ZINC000423221664 296393966 /nfs/dbraw/zinc/39/39/66/296393966.db2.gz XNKLBJSJMYJUCO-AITUJVMLSA-N 2 0 301.478 2.800 20 0 DFADRP C[C@H]([NH3+])CCN[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000423227136 296394839 /nfs/dbraw/zinc/39/48/39/296394839.db2.gz UPCDLASCNCQYSY-JCHJZTRSSA-N 2 0 301.478 2.757 20 0 DFADRP C[C@H]([NH3+])CC[NH2+][C@H]1CCc2c1cc(Br)cc2F ZINC000423225469 296394293 /nfs/dbraw/zinc/39/42/93/296394293.db2.gz MWWLXZUAAPULDR-SDBXPKJASA-N 2 0 301.203 2.902 20 0 DFADRP C[C@H]1[C@H]([NH2+]C2CCC([NH3+])CC2)CCCN1Cc1ccccc1 ZINC000423228805 296394610 /nfs/dbraw/zinc/39/46/10/296394610.db2.gz FGCLDEIXUZGLCK-GWFLUQINSA-N 2 0 301.478 2.899 20 0 DFADRP c1ccc(C[N@H+]2CC[C@H](NC[C@@H]3CCC[NH2+]3)[C@H]3CCC[C@@H]32)cc1 ZINC000423238552 296395925 /nfs/dbraw/zinc/39/59/25/296395925.db2.gz QZSKMFFHIMJTAW-YRPNKDGESA-N 2 0 313.489 2.771 20 0 DFADRP CC(C)c1ccc([C@H]([NH3+])CN[C@H](C)c2ccc(=O)[nH]n2)cc1 ZINC000423243776 296396324 /nfs/dbraw/zinc/39/63/24/296396324.db2.gz NFHCESQLXRUCFZ-IUODEOHRSA-N 2 0 300.406 2.656 20 0 DFADRP CC[NH2+]CCN[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H]2CCC[C@H]21 ZINC000423244031 296396385 /nfs/dbraw/zinc/39/63/85/296396385.db2.gz XCAOAFYLXNLVKG-IPMKNSEASA-N 2 0 301.478 2.629 20 0 DFADRP COC[C@@H]([NH2+]CC[C@H]1CC[NH2+]C1)c1cccc(Cl)c1F ZINC000423250904 296396817 /nfs/dbraw/zinc/39/68/17/296396817.db2.gz REYFAZOANBILKF-BXUZGUMPSA-N 2 0 300.805 2.756 20 0 DFADRP Cn1ccnc1[C@H]([NH2+]CC[C@H]1CC[NH2+]C1)c1ccc(Cl)cc1 ZINC000423247622 296396831 /nfs/dbraw/zinc/39/68/31/296396831.db2.gz LLXPDPXDWSDBPU-CZUORRHYSA-N 2 0 318.852 2.752 20 0 DFADRP C[C@@H](C[NH2+]CCOCCC[NH3+])c1cccc(Br)c1 ZINC000629400469 399593256 /nfs/dbraw/zinc/59/32/56/399593256.db2.gz YQGRYERHXLWCCS-LBPRGKRZSA-N 2 0 315.255 2.508 20 0 DFADRP CC(C)[C@H]([NH3+])CNC1CC[NH+]([C@H](C)Cc2ccccc2)CC1 ZINC000423271338 296399302 /nfs/dbraw/zinc/39/93/02/296399302.db2.gz IYKRTRWJBZTMAR-VQIMIIECSA-N 2 0 303.494 2.655 20 0 DFADRP C[C@H]([NH2+][C@H]1CCCC[C@H]1C[NH3+])c1ccc(OCC[NH+](C)C)cc1 ZINC000423265947 296398526 /nfs/dbraw/zinc/39/85/26/296398526.db2.gz BLVSKNWFPZGMNW-IEZWGBDMSA-N 3 0 319.493 2.795 20 0 DFADRP COc1cc(NC(C)=O)ccc1[C@H](C)[NH2+][C@@H]1CCCC[C@H]1C[NH3+] ZINC000423266737 296398583 /nfs/dbraw/zinc/39/85/83/296398583.db2.gz CDKJKUPKLTYHBB-RVSPLBMKSA-N 2 0 319.449 2.822 20 0 DFADRP CC(=O)NCCc1ccc([C@H](C)[NH2+][C@@H]2CCCC[C@@H]2C[NH3+])cc1 ZINC000423265140 296398596 /nfs/dbraw/zinc/39/85/96/296398596.db2.gz AUNVJQSTGNFMAV-GDIGMMSISA-N 2 0 317.477 2.533 20 0 DFADRP C[NH2+]C[C@@H](C)CNC1CC[NH+]([C@@H](C)Cc2ccccc2)CC1 ZINC000423273657 296399626 /nfs/dbraw/zinc/39/96/26/296399626.db2.gz LHGRRGMCOPQSOC-SJORKVTESA-N 2 0 303.494 2.527 20 0 DFADRP CC[N@@H+]1CCCC[C@H]1C(=O)NCCCC[NH+]1C[C@H](C)C[C@H](C)C1 ZINC000104262128 285201717 /nfs/dbraw/zinc/20/17/17/285201717.db2.gz CXUBIUBGQFROIJ-KSZLIROESA-N 2 0 323.525 2.735 20 0 DFADRP CC[N@@H+]1CCCC[C@H]1C(=O)NCCCC[NH+]1CCCC[C@H]1C ZINC000245920737 285202089 /nfs/dbraw/zinc/20/20/89/285202089.db2.gz TXJSLPRYNXDJIK-SJORKVTESA-N 2 0 309.498 2.632 20 0 DFADRP COC(=O)CCC[C@@H]1CCC[C@H]([NH2+]CC[C@H]2CCC[NH2+]C2)C1 ZINC000423283983 296401177 /nfs/dbraw/zinc/40/11/77/296401177.db2.gz XVYCMEUSXAVDQL-BBWFWOEESA-N 2 0 310.482 2.868 20 0 DFADRP Cc1cnn(C)c1C[NH+]1CCC(CCC[NH+]2CCCC2)CC1 ZINC000347846721 285203917 /nfs/dbraw/zinc/20/39/17/285203917.db2.gz FNYHDUKZGYICHK-UHFFFAOYSA-N 2 0 304.482 2.817 20 0 DFADRP CC[NH+](CC)CCC[C@H](C)NC(=O)c1ccc([C@H](C)[NH3+])cc1 ZINC000423297961 296401948 /nfs/dbraw/zinc/40/19/48/296401948.db2.gz MODDDOPHBNJNJE-GJZGRUSLSA-N 2 0 305.466 2.947 20 0 DFADRP CC(C)[C@H](C(=O)NCc1ccccc1C[NH+]1CCCC1)[C@H](C)[NH3+] ZINC000423314155 296403187 /nfs/dbraw/zinc/40/31/87/296403187.db2.gz VIZCZZOZLRHZTB-YJBOKZPZSA-N 2 0 317.477 2.518 20 0 DFADRP CC[NH+](CC)CCO[C@H]1CC[N@H+](Cc2cc(C)c(O)c(C)c2)C1 ZINC000347860774 285213449 /nfs/dbraw/zinc/21/34/49/285213449.db2.gz JZKIQNRGSZKIHQ-SFHVURJKSA-N 2 0 320.477 2.942 20 0 DFADRP CC(C)[N@H+](C)Cc1ccccc1C[NH2+]Cc1cnc2ccnn2c1 ZINC000624213932 399600390 /nfs/dbraw/zinc/60/03/90/399600390.db2.gz KRDIWJOXHWJJNT-UHFFFAOYSA-N 2 0 323.444 2.859 20 0 DFADRP CC[NH+](CC)Cc1ccc(C(=O)NC[C@H]2CC[N@@H+](C(C)C)C2)o1 ZINC000620799423 399601361 /nfs/dbraw/zinc/60/13/61/399601361.db2.gz NPMUMWITUQHOFG-OAHLLOKOSA-N 2 0 321.465 2.582 20 0 DFADRP C[C@H]1CC[NH2+][C@H](C(=O)Nc2cccc(C[NH+]3CCCCC3)c2)C1 ZINC000423340928 296406248 /nfs/dbraw/zinc/40/62/48/296406248.db2.gz WAORXOQJAAIQDP-YJBOKZPZSA-N 2 0 315.461 2.999 20 0 DFADRP C[C@H]([NH3+])c1ccc(C(=O)NCCCC[NH+]2CCC(C)CC2)cc1 ZINC000423334624 296405748 /nfs/dbraw/zinc/40/57/48/296405748.db2.gz QWJTYSMHJLVMRL-INIZCTEOSA-N 2 0 317.477 2.948 20 0 DFADRP CC(C)[C@H](C(=O)NCc1cccc(C[NH+]2CCCC2)c1)[C@H](C)[NH3+] ZINC000423346028 296406938 /nfs/dbraw/zinc/40/69/38/296406938.db2.gz YGJSFQDVXOBVCW-YJBOKZPZSA-N 2 0 317.477 2.518 20 0 DFADRP COc1cc(OC)c([C@@H](C)[NH2+]CC2=CC[NH2+]CC2)cc1Cl ZINC000423346377 296407134 /nfs/dbraw/zinc/40/71/34/296407134.db2.gz OUYPDYOJNKPHQJ-LLVKDONJSA-N 2 0 310.825 2.928 20 0 DFADRP CCC[NH+](CCC)CCCNC(=O)c1ccc([C@@H](C)[NH3+])cc1 ZINC000423360988 296408473 /nfs/dbraw/zinc/40/84/73/296408473.db2.gz WOPZHIKACNMHGR-OAHLLOKOSA-N 2 0 305.466 2.948 20 0 DFADRP COCCOc1ccc([C@H](C)[NH2+][C@@H]2CC[NH2+][C@@H](C)C2)cc1OC ZINC000423368171 296409567 /nfs/dbraw/zinc/40/95/67/296409567.db2.gz DTOTYDMNGXIMRE-OFQRWUPVSA-N 2 0 322.449 2.512 20 0 DFADRP C[C@@H](CN1CC[NH+](C)CC1)[NH2+][C@H]1c2cccc(F)c2CC[C@H]1C ZINC000154906458 197003965 /nfs/dbraw/zinc/00/39/65/197003965.db2.gz UWTVWBYPGFIKMO-ZRGWGRIASA-N 2 0 319.468 2.675 20 0 DFADRP C[C@H]([NH2+][C@@H]1CCC[C@H]([NH3+])C1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000423384343 296410945 /nfs/dbraw/zinc/41/09/45/296410945.db2.gz KYODCTODYIKHLR-RVSPLBMKSA-N 2 0 316.449 2.891 20 0 DFADRP CCCC[NH+]1CCC(NC(=O)c2ccc([C@@H](C)[NH3+])cc2)CC1 ZINC000423389714 296411792 /nfs/dbraw/zinc/41/17/92/296411792.db2.gz OENPCGRGDGYGDK-CQSZACIVSA-N 2 0 303.450 2.701 20 0 DFADRP COc1cc([C@H](C)[NH2+][C@@H]2CC[NH2+]C[C@@H]2C)ccc1OC(F)F ZINC000423397659 296412593 /nfs/dbraw/zinc/41/25/93/296412593.db2.gz OINHDVWCFGVBIT-GMXVVIOVSA-N 2 0 314.376 2.945 20 0 DFADRP O[C@@H]1C[NH2+]C[C@H]1C[NH2+][C@H](CCCc1ccccc1)c1ccccc1 ZINC000423399944 296412723 /nfs/dbraw/zinc/41/27/23/296412723.db2.gz FEMAPXAZQHUBMT-PWRODBHTSA-N 2 0 324.468 2.921 20 0 DFADRP CCC[NH+]1CCC([NH2+]CCNC(=O)c2ccccc2Cl)CC1 ZINC000006879326 542417553 /nfs/dbraw/zinc/41/75/53/542417553.db2.gz DIWJFKVJIJGLNS-UHFFFAOYSA-N 2 0 323.868 2.534 20 0 DFADRP CCCN(CCC[NH+](C)C)C(=O)[C@H](C)[N@H+](C)Cc1ccccc1 ZINC000347914255 285242259 /nfs/dbraw/zinc/24/22/59/285242259.db2.gz WGUSONNCNOPLLG-KRWDZBQOSA-N 2 0 319.493 2.697 20 0 DFADRP COCC1(C[NH2+][C@H](C)c2ccc(OC)cc2C)CC[NH2+]CC1 ZINC000423410151 296413901 /nfs/dbraw/zinc/41/39/01/296413901.db2.gz RIFNDRYECDZOBW-OAHLLOKOSA-N 2 0 306.450 2.670 20 0 DFADRP C[C@H](CCCC[NH3+])[NH2+][C@H](C)[C@@H](c1ccccc1)N1CCOCC1 ZINC000423431629 296416181 /nfs/dbraw/zinc/41/61/81/296416181.db2.gz LYPDSVHNNSAFCW-LMMKCTJWSA-N 2 0 319.493 2.556 20 0 DFADRP CC(C)CC[NH+]1CCC(CNC(=O)[C@H]2[NH2+]CCCC2(C)C)CC1 ZINC000423438907 296416825 /nfs/dbraw/zinc/41/68/25/296416825.db2.gz VSNZZKDBXLFFGD-QGZVFWFLSA-N 2 0 323.525 2.639 20 0 DFADRP COc1ccc2c(c1)[C@H]([NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1)CCCO2 ZINC000423442960 296416899 /nfs/dbraw/zinc/41/68/99/296416899.db2.gz PXHFLQMQPGFYBL-CGTJXYLNSA-N 2 0 316.445 2.887 20 0 DFADRP [NH3+][C@@H]1CCC[C@@H](C[NH2+][C@@H](c2ccc(F)cc2)c2cnccn2)C1 ZINC000423460368 296418282 /nfs/dbraw/zinc/41/82/82/296418282.db2.gz AUIZZEFXTIDQGS-QBIMZIAESA-N 2 0 314.408 2.812 20 0 DFADRP C[C@@H]([NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1)c1ccnn1-c1ccccc1 ZINC000423450901 296417517 /nfs/dbraw/zinc/41/75/17/296417517.db2.gz XSYPCTSXZJXAHH-FHLIZLRMSA-N 2 0 310.445 2.911 20 0 DFADRP COc1cc2c(cc1F)CC[C@@H]2[NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000423450666 296417595 /nfs/dbraw/zinc/41/75/95/296417595.db2.gz XJTHUWDXQOAMOA-RRQGHBQHSA-N 2 0 304.409 2.799 20 0 DFADRP Cc1cc(C)n(CC[NH2+][C@@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)n1 ZINC000347935600 285255612 /nfs/dbraw/zinc/25/56/12/285255612.db2.gz PZCVSDICIFBNAV-IRXDYDNUSA-N 2 0 304.482 2.743 20 0 DFADRP Cc1c([C@@H](C)[NH2+]CCC[C@@H]2CCC[NH2+]2)nnn1-c1ccccc1 ZINC000423481895 296420616 /nfs/dbraw/zinc/42/06/16/296420616.db2.gz OQYLMMGYIYYMPR-GDBMZVCRSA-N 2 0 313.449 2.759 20 0 DFADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)N[C@@H]1C[NH2+]C[C@H]1c1ccccc1 ZINC000423498963 296422445 /nfs/dbraw/zinc/42/24/45/296422445.db2.gz BOPNPKRYZBITSC-XGXHKWSGSA-N 2 0 301.478 2.642 20 0 DFADRP CC(=O)N1CC[C@@H]([NH2+]CCC[C@H]2CCC[NH2+]2)c2ccccc2C1 ZINC000423491294 296421496 /nfs/dbraw/zinc/42/14/96/296421496.db2.gz YXSUWIIJVDJPOL-IEBWSBKVSA-N 2 0 315.461 2.602 20 0 DFADRP C[C@H]([NH2+][C@H]1CC[C@H](C[NH3+])C1)c1ccc(-n2cncn2)cc1Cl ZINC000423492424 296421676 /nfs/dbraw/zinc/42/16/76/296421676.db2.gz MZXCNNXTSRUQIC-AVGNSLFASA-N 2 0 319.840 2.699 20 0 DFADRP CCOC[C@H]1CCC[C@@H]1[NH2+]CC1([NH3+])C2CC3CC(C2)CC1C3 ZINC000423515498 296424869 /nfs/dbraw/zinc/42/48/69/296424869.db2.gz AARLDLVICOSUPT-RIFVKUKGSA-N 2 0 306.494 2.935 20 0 DFADRP CC(C)Oc1ccc([C@H](C)[NH2+]CCCN2CC[NH+](C)CC2)cc1 ZINC000120408309 195160968 /nfs/dbraw/zinc/16/09/68/195160968.db2.gz NYCMDZQKDUQGGB-KRWDZBQOSA-N 2 0 319.493 2.762 20 0 DFADRP C[C@@H]([NH2+]CCC[NH2+]C1CC1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000423533785 296427295 /nfs/dbraw/zinc/42/72/95/296427295.db2.gz YNKNOSCZJCXAMQ-CYBMUJFWSA-N 2 0 316.449 2.763 20 0 DFADRP C[C@H]([NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1)c1ccc(-n2ccnc2)cc1 ZINC000423536440 296427632 /nfs/dbraw/zinc/42/76/32/296427632.db2.gz ADODFYZIWZWWDQ-LEUOFYLZSA-N 2 0 310.445 2.911 20 0 DFADRP COc1cc2c(cc1OC)[C@H]([NH2+][C@@H]1CC[C@@H]3C[NH2+]C[C@H]3C1)CC2 ZINC000423538137 296427814 /nfs/dbraw/zinc/42/78/14/296427814.db2.gz FPDVMPFBMAMJPT-KCYZZUKISA-N 2 0 316.445 2.669 20 0 DFADRP CCCC[C@@H](COC)[NH2+]Cc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC000120644234 195207545 /nfs/dbraw/zinc/20/75/45/195207545.db2.gz MTGFCVJDNCJHMM-OALUTQOASA-N 2 0 320.477 2.548 20 0 DFADRP CC[C@H]([NH2+]C[C@@H](C)CN1CC[NH+](C)CC1)c1ccc(C)cc1 ZINC000120823716 195244638 /nfs/dbraw/zinc/24/46/38/195244638.db2.gz HCHIDMSMNNLZLT-MJGOQNOKSA-N 2 0 303.494 2.919 20 0 DFADRP C[C@@H]([NH2+]C[C@H](C)CN1CC[NH+](C)CC1)c1ccc2c(c1)CCC2 ZINC000120864372 195253124 /nfs/dbraw/zinc/25/31/24/195253124.db2.gz PNDVZJPTKBVNET-DLBZAZTESA-N 2 0 315.505 2.709 20 0 DFADRP Cc1ccc2ncc(C[NH+]3CCC(OCCC[NH3+])CC3)cc2c1 ZINC000629513876 399630212 /nfs/dbraw/zinc/63/02/12/399630212.db2.gz NBDHXCHWMCVHIP-UHFFFAOYSA-N 2 0 313.445 2.873 20 0 DFADRP CN(C)c1cccc(C[N@@H+]2CC[C@@H](C[NH+](C)CC3CC3)C2)c1 ZINC000081632295 542498290 /nfs/dbraw/zinc/49/82/90/542498290.db2.gz LJXLOCJQIDCRDH-SFHVURJKSA-N 2 0 301.478 2.916 20 0 DFADRP CCC[C@H](C)CCC[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000629517012 399632519 /nfs/dbraw/zinc/63/25/19/399632519.db2.gz XWQJFZZPHVLPCO-KSZLIROESA-N 2 0 323.525 2.783 20 0 DFADRP CCC[C@H](C)CCC[N@@H+]1CCC[C@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000629517014 399632651 /nfs/dbraw/zinc/63/26/51/399632651.db2.gz XWQJFZZPHVLPCO-RCCFBDPRSA-N 2 0 323.525 2.783 20 0 DFADRP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+]C[C@H]1CCCN1CC(F)F ZINC000629520899 399633540 /nfs/dbraw/zinc/63/35/40/399633540.db2.gz ZHVQKDQGRZOLTL-RBSFLKMASA-N 2 0 303.441 2.616 20 0 DFADRP CC(C)[NH+]1CCN(CCC[N@@H+]2CCCC(F)(F)CC2)CC1 ZINC000625770729 399636223 /nfs/dbraw/zinc/63/62/23/399636223.db2.gz QGMZBESSSIFXNJ-UHFFFAOYSA-N 2 0 303.441 2.524 20 0 DFADRP CC[C@H]([NH2+]CCOCC[NH2+]C)c1ccc(Br)cc1 ZINC000629529332 399636711 /nfs/dbraw/zinc/63/67/11/399636711.db2.gz ZRZXCFYTAYJNGJ-AWEZNQCLSA-N 2 0 315.255 2.726 20 0 DFADRP OCc1ccc(F)c(C[N@@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)c1 ZINC000629532034 399638053 /nfs/dbraw/zinc/63/80/53/399638053.db2.gz JCAQWQBWVRHTLJ-HZPDHXFCSA-N 2 0 306.425 2.530 20 0 DFADRP C[NH2+]CCOCC[NH2+][C@@H]1CCCC[C@H]1c1ccc(OC)c(F)c1 ZINC000629529826 399638097 /nfs/dbraw/zinc/63/80/97/399638097.db2.gz NRFIIMXITPLZOM-DOTOQJQBSA-N 2 0 324.440 2.686 20 0 DFADRP COc1ccccc1[C@@H]([NH2+]CCOCCC[NH3+])C1CCCC1 ZINC000629540518 399640152 /nfs/dbraw/zinc/64/01/52/399640152.db2.gz VHWWZDOESBUDAH-SFHVURJKSA-N 2 0 306.450 2.882 20 0 DFADRP Cc1ccc2[nH]c3c(c2c1)CCC[C@@H]3[NH2+]CCOCCC[NH3+] ZINC000629541339 399641788 /nfs/dbraw/zinc/64/17/88/399641788.db2.gz YLZMIUZFYFXTIS-KRWDZBQOSA-N 2 0 301.434 2.809 20 0 DFADRP C[C@@H]([NH2+]CCOCCC[NH3+])c1nc(-c2ccccc2)cs1 ZINC000629542237 399641796 /nfs/dbraw/zinc/64/17/96/399641796.db2.gz XETOGZAEASMZQN-CYBMUJFWSA-N 2 0 305.447 2.826 20 0 DFADRP O[C@@H]1CC[N@H+](CCC2CC[NH2+]CC2)[C@@H]1c1ccc(Cl)cc1 ZINC000629582238 399655190 /nfs/dbraw/zinc/65/51/90/399655190.db2.gz PRZIXYVGMQSFDU-IAGOWNOFSA-N 2 0 308.853 2.837 20 0 DFADRP FC1(F)CCCC[C@@H]1C[NH+]1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000629591208 399657728 /nfs/dbraw/zinc/65/77/28/399657728.db2.gz DFIWCXLOOGQMDD-CVEARBPZSA-N 2 0 316.436 2.902 20 0 DFADRP CC(C)C[C@@H]1CCC[C@@H]([NH2+]Cc2cn([C@H]3CC[NH2+]C3)nn2)C1 ZINC000629551869 399645111 /nfs/dbraw/zinc/64/51/11/399645111.db2.gz YCYHWABAVBTBDA-UXLLHSPISA-N 2 0 305.470 2.507 20 0 DFADRP Fc1ccc([C@H]2CCC[N@H+](C[C@H]3CCC4(C[NH2+]C4)O3)C2)cc1F ZINC000629552071 399645363 /nfs/dbraw/zinc/64/53/63/399645363.db2.gz ZPRVYHZYLASUSB-LSDHHAIUSA-N 2 0 322.399 2.665 20 0 DFADRP COc1ccc([C@H](C[NH3+])C[NH+]2C[C@@H](C)C(F)(F)[C@H](C)C2)cc1 ZINC000629552801 399647012 /nfs/dbraw/zinc/64/70/12/399647012.db2.gz QJIPYHDUARNZQC-UMVBOHGHSA-N 2 0 312.404 2.961 20 0 DFADRP CC(C)(C)[N@@H+]1CC[C@H](NC(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC000617347383 399672944 /nfs/dbraw/zinc/67/29/44/399672944.db2.gz LMCLSNPEPIMQJG-CVEARBPZSA-N 2 0 321.509 2.630 20 0 DFADRP Cc1cccc(C2(C[NH2+]C[C@@H](O)C[NH+]3CCCC3)CCCC2)c1 ZINC000629559901 399649060 /nfs/dbraw/zinc/64/90/60/399649060.db2.gz PIJQDNBELVKGJS-LJQANCHMSA-N 2 0 316.489 2.853 20 0 DFADRP CC(C)(C)n1cc(CN2CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)cn1 ZINC000629566444 399651894 /nfs/dbraw/zinc/65/18/94/399651894.db2.gz ZAUBUCYRKQHMEL-STQMWFEESA-N 2 0 318.387 2.597 20 0 DFADRP C[N@H+](CCOCC[NH3+])Cc1c(OC(F)F)ccc2ccccc21 ZINC000629662017 399681144 /nfs/dbraw/zinc/68/11/44/399681144.db2.gz FDHODZKUZMBXDC-UHFFFAOYSA-N 2 0 324.371 2.848 20 0 DFADRP Clc1cscc1C[NH+]1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000629672146 399684784 /nfs/dbraw/zinc/68/47/84/399684784.db2.gz GATPPTIZSKZORL-AWEZNQCLSA-N 2 0 314.882 2.992 20 0 DFADRP C[NH2+][C@H](CO)c1cccc(-c2ccc(F)c(C[NH+](C)C)c2)c1 ZINC000629738553 399709850 /nfs/dbraw/zinc/70/98/50/399709850.db2.gz OOVXDFBYEAZRKD-GOSISDBHSA-N 2 0 302.393 2.807 20 0 DFADRP CC[NH+]1CCC(NC(=O)C[N@H+](C)C[C@H](C)C2CCCCC2)CC1 ZINC000625986857 399710590 /nfs/dbraw/zinc/71/05/90/399710590.db2.gz WHTWIPRNESPEIH-INIZCTEOSA-N 2 0 323.525 2.735 20 0 DFADRP C[C@@H]([NH2+]CCc1nc2c(cccc2F)n1C)C1CC[NH+](C)CC1 ZINC000089674495 542531770 /nfs/dbraw/zinc/53/17/70/542531770.db2.gz IZUBRWWMSVEJLO-CYBMUJFWSA-N 2 0 318.440 2.575 20 0 DFADRP C[NH+]1CCC(C[NH2+][C@@H]2CN(Cc3ccccc3)C(C)(C)C2)CC1 ZINC000090185056 542534287 /nfs/dbraw/zinc/53/42/87/542534287.db2.gz QVFXGXUWDCDFPL-IBGZPJMESA-N 2 0 315.505 2.971 20 0 DFADRP C[C@@H]([NH2+]CCc1nc2cc(F)ccc2n1C)C1CC[NH+](C)CC1 ZINC000090044125 542534388 /nfs/dbraw/zinc/53/43/88/542534388.db2.gz XFHROPPJXOAGGJ-CYBMUJFWSA-N 2 0 318.440 2.575 20 0 DFADRP C[C@H]([NH2+][C@@H](C)C1CC[NH+](C)CC1)c1ccc(-n2ccnn2)cc1 ZINC000090879874 542538626 /nfs/dbraw/zinc/53/86/26/542538626.db2.gz TUQBYUPKDPIMEX-GJZGRUSLSA-N 2 0 313.449 2.648 20 0 DFADRP C[N@@H+](Cc1ccc(OCC[NH+]2CCCC2)cc1)C[C@H]1CCOC1 ZINC000093840409 542554398 /nfs/dbraw/zinc/55/43/98/542554398.db2.gz SMMUCQJCQLZDJS-GOSISDBHSA-N 2 0 318.461 2.630 20 0 DFADRP C[NH+](C)Cc1cccc(C[NH2+][C@H]2CCO[C@H](C(F)(F)F)C2)c1 ZINC000348098340 285346823 /nfs/dbraw/zinc/34/68/23/285346823.db2.gz ARUNVVHFLZOQEK-GJZGRUSLSA-N 2 0 316.367 2.948 20 0 DFADRP C[NH+](C)Cc1ccc(C[NH2+][C@@H]2CCO[C@H](C(F)(F)F)C2)cc1 ZINC000348100219 285348947 /nfs/dbraw/zinc/34/89/47/285348947.db2.gz FNTPZHOPAUIKFJ-CABCVRRESA-N 2 0 316.367 2.948 20 0 DFADRP CC[C@@H]1CC[C@@H]1[NH2+]Cc1ccc(CN2CC[NH+](C)CC2)cc1 ZINC000348104010 285351731 /nfs/dbraw/zinc/35/17/31/285351731.db2.gz NHYRUNKAVAAACL-MOPGFXCFSA-N 2 0 301.478 2.712 20 0 DFADRP [NH3+]CC1(C(=O)Nc2cccc(CC[NH+]3CCCC3)c2)CCCC1 ZINC000423775899 296446330 /nfs/dbraw/zinc/44/63/30/296446330.db2.gz PMHDIGFXBUVNIY-UHFFFAOYSA-N 2 0 315.461 2.783 20 0 DFADRP CCOc1ccccc1[C@H](C)[NH2+]C[C@H](C)CN1CC[NH+](C)CC1 ZINC000121035867 195283732 /nfs/dbraw/zinc/28/37/32/195283732.db2.gz SCWRKFANFJMUKY-IRXDYDNUSA-N 2 0 319.493 2.619 20 0 DFADRP CC[C@H]([NH2+]C[C@@H](C)CN1CC[NH+](C)CC1)c1ccccc1OC ZINC000121041750 195285547 /nfs/dbraw/zinc/28/55/47/195285547.db2.gz ZIYRRLOJFYSGML-AEFFLSMTSA-N 2 0 319.493 2.619 20 0 DFADRP C[NH+](C)C[C@H](NC(=O)[C@@H]1CCC[C@@H]([NH3+])C1)c1ccc(Cl)cc1 ZINC000423783070 296447223 /nfs/dbraw/zinc/44/72/23/296447223.db2.gz ZTKYVXDTQLWYQP-BMFZPTHFSA-N 2 0 323.868 2.576 20 0 DFADRP C[C@@H](C(=O)NCc1ccccc1C[NH+](C)C)[NH+]1[C@H](C)CC[C@H]1C ZINC000121985572 195387372 /nfs/dbraw/zinc/38/73/72/195387372.db2.gz GQOQFAROCPIVAU-OAGGEKHMSA-N 2 0 317.477 2.626 20 0 DFADRP COCC[N@H+](C)CCCC1CC[NH+](Cc2ccccn2)CC1 ZINC000122075432 195398189 /nfs/dbraw/zinc/39/81/89/195398189.db2.gz BAAHMKUYVIEEOR-UHFFFAOYSA-N 2 0 305.466 2.652 20 0 DFADRP CCN(CCC[NH+](CC)CC)C(=O)[C@@H]([NH3+])c1ccccc1C ZINC000423782337 296447351 /nfs/dbraw/zinc/44/73/51/296447351.db2.gz LYDBWBFVCOTSAT-KRWDZBQOSA-N 2 0 305.466 2.575 20 0 DFADRP COc1ccc2[nH]c3c(c2c1)C[C@@H]([NH2+]CCC[NH+](C)C)CC3 ZINC000123010677 195532628 /nfs/dbraw/zinc/53/26/28/195532628.db2.gz CVZUGSKICQBHRY-ZDUSSCGKSA-N 2 0 301.434 2.575 20 0 DFADRP COCCCC[N@@H+]1C[C@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000309949322 533258463 /nfs/dbraw/zinc/25/84/63/533258463.db2.gz FICYPLSOJPCGPU-MOPGFXCFSA-N 2 0 302.462 2.867 20 0 DFADRP C[C@@H]([NH2+]C1CC1)C(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC000296599436 533335723 /nfs/dbraw/zinc/33/57/23/533335723.db2.gz YIVVNJVTSJUNPZ-OAHLLOKOSA-N 2 0 315.461 2.794 20 0 DFADRP C[C@@H]([NH2+]CCC(C)(C)CO)c1cccc(OCC[NH+](C)C)c1 ZINC000296415910 533372426 /nfs/dbraw/zinc/37/24/26/533372426.db2.gz LEAZZVBEADVUGI-OAHLLOKOSA-N 2 0 308.466 2.686 20 0 DFADRP CO[C@@H](Cc1ccccc1)C[N@@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000296673775 533375505 /nfs/dbraw/zinc/37/55/05/533375505.db2.gz HGSLHYAVCSQGKB-OALUTQOASA-N 2 0 302.462 2.662 20 0 DFADRP C[C@@H]([NH2+][C@@H](C)[C@H]1CCOC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000309708444 533501912 /nfs/dbraw/zinc/50/19/12/533501912.db2.gz IULAICSKTHGGKT-NEPXVJNWSA-N 2 0 302.462 2.912 20 0 DFADRP CC[NH+]1CCN(C[C@H](C)C[NH2+]C[C@H]2C[C@@H]2c2ccccc2)CC1 ZINC000348246330 285447207 /nfs/dbraw/zinc/44/72/07/285447207.db2.gz PQFHRYMPIXXRRN-MISYRCLQSA-N 2 0 315.505 2.653 20 0 DFADRP C[NH+](C)[C@@H](CNC(=O)C[N@H+](C)C1CCC1)c1ccc(Cl)cc1 ZINC000629965523 399773285 /nfs/dbraw/zinc/77/32/85/399773285.db2.gz FVCFSQSQCGEGLX-INIZCTEOSA-N 2 0 323.868 2.543 20 0 DFADRP COc1ccccc1O[C@@H](C)C[NH2+][C@H](C)C1CC[NH+](C)CC1 ZINC000129669751 542625714 /nfs/dbraw/zinc/62/57/14/542625714.db2.gz PITKHIGOXUJWFX-LSDHHAIUSA-N 2 0 306.450 2.782 20 0 DFADRP CC[NH+](CC)[C@@H](C(=O)N[C@@H](C[NH3+])C1CCCC1)c1ccccc1 ZINC000423937060 296467985 /nfs/dbraw/zinc/46/79/85/296467985.db2.gz DVTPLKFSGLTSGJ-ZWKOTPCHSA-N 2 0 317.477 2.703 20 0 DFADRP C[C@@H]([NH2+]CC[C@@H]1CCCO1)c1cccc(OCC[NH+](C)C)c1 ZINC000131938012 542640053 /nfs/dbraw/zinc/64/00/53/542640053.db2.gz QTYRFWDDKYQKDM-WBVHZDCISA-N 2 0 306.450 2.847 20 0 DFADRP C[C@@H]([NH2+][C@@H]1CCCN(Cc2ccccc2)C1)C1CC[NH+](C)CC1 ZINC000132795132 542643252 /nfs/dbraw/zinc/64/32/52/542643252.db2.gz DGSFRSCUHZMYAZ-YLJYHZDGSA-N 2 0 315.505 2.971 20 0 DFADRP C[C@@H]([NH2+]C[C@H](c1cccc(F)c1)N(C)C)C1CC[NH+](C)CC1 ZINC000133591544 542646657 /nfs/dbraw/zinc/64/66/57/542646657.db2.gz FXCVAIYZDKMCNF-RDTXWAMCSA-N 2 0 307.457 2.748 20 0 DFADRP CC(C)CCC(=O)NCC1([NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000424017796 296475510 /nfs/dbraw/zinc/47/55/10/296475510.db2.gz HKVVEXWAFHVEOV-UHFFFAOYSA-N 2 0 317.477 2.532 20 0 DFADRP C[C@H](CN[C@H]1CC[N@H+](C)[C@H](c2ccccc2)C1)[NH+](C)C1CC1 ZINC000340232279 131239118 /nfs/dbraw/zinc/23/91/18/131239118.db2.gz QFYJKCGXZXOGGY-AYBZRNKSSA-N 2 0 301.478 2.894 20 0 DFADRP C[C@H]([NH2+]C[C@@H]1CCN(c2ccc(F)cc2)C1)C1CC[NH+](C)CC1 ZINC000152821642 542679007 /nfs/dbraw/zinc/67/90/07/542679007.db2.gz LLFQLIRSHOEZFZ-HOTGVXAUSA-N 2 0 319.468 2.972 20 0 DFADRP CCCN(C(=O)CC[C@@H]([NH3+])CC1CCCCC1)[C@@H]1CC[NH2+]C1 ZINC000424075630 296483076 /nfs/dbraw/zinc/48/30/76/296483076.db2.gz JXPHZQHSJNVQEP-IAGOWNOFSA-N 2 0 309.498 2.665 20 0 DFADRP C[C@H]1C[N@H+](C)CC[C@@H]1NCc1nccn1CCc1ccccc1 ZINC000164276469 132133850 /nfs/dbraw/zinc/13/38/50/132133850.db2.gz HXPVIKAQBZZLPF-WMZOPIPTSA-N 2 0 312.461 2.556 20 0 DFADRP COC1CCN(CC[NH2+][C@@H](C)c2ccc3c(c2)CCC3)CC1 ZINC000163657886 542743701 /nfs/dbraw/zinc/74/37/01/542743701.db2.gz RMHVFMOZWUMFOW-HNNXBMFYSA-N 2 0 302.462 2.937 20 0 DFADRP c1cnn(Cc2cccc(C[NH2+][C@H]3CC[N@@H+]4CCC[C@@H]4C3)c2)c1 ZINC000166253844 542750722 /nfs/dbraw/zinc/75/07/22/542750722.db2.gz PZPCYWNEAFUKHL-RBUKOAKNSA-N 2 0 310.445 2.648 20 0 DFADRP CC(C)CC[NH+]1CCC(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000166796798 542752869 /nfs/dbraw/zinc/75/28/69/542752869.db2.gz IIMMSLGFPOJFIV-RTBURBONSA-N 2 0 307.526 2.961 20 0 DFADRP C[C@H]([NH2+]CCC[NH+]1CCCC1)c1ccc(N2CCOC2=O)cc1 ZINC000178412170 542776341 /nfs/dbraw/zinc/77/63/41/542776341.db2.gz SWTJNJWYFKYETN-HNNXBMFYSA-N 2 0 317.433 2.780 20 0 DFADRP Cc1cc(C[NH2+]CCCN2CCC[N@@H+](C)CC2)ccc1Cl ZINC000180883664 542786840 /nfs/dbraw/zinc/78/68/40/542786840.db2.gz AFHMYEOYNDRSMN-UHFFFAOYSA-N 2 0 309.885 2.766 20 0 DFADRP C[C@H]1C[C@@H](Nc2ccccc2C[NH+]2CCC(O)CC2)CC[N@@H+]1C ZINC000182249575 542794258 /nfs/dbraw/zinc/79/42/58/542794258.db2.gz MKYYUHNWEZNMTI-RDJZCZTQSA-N 2 0 317.477 2.538 20 0 DFADRP Cc1ccc([C@H](CN[C@H]2CC[N@@H+]3CCC[C@H]3C2)[NH+]2CCCC2)o1 ZINC000247135971 542928306 /nfs/dbraw/zinc/92/83/06/542928306.db2.gz XBCXBJWYHXWZIL-BZSNNMDCSA-N 2 0 317.477 2.941 20 0 DFADRP CCN(C(=O)C[C@@H](c1ccccc1)[NH+](C)C)[C@@H]1CC[N@H+](CC)C1 ZINC000617924915 399834155 /nfs/dbraw/zinc/83/41/55/399834155.db2.gz BBVBETHKZGMTSO-MSOLQXFVSA-N 2 0 317.477 2.622 20 0 DFADRP C[NH+](C)CCNC(=O)c1ccc(C[NH2+][C@H]2CCC(C)(C)C2)cc1 ZINC000273138676 542971598 /nfs/dbraw/zinc/97/15/98/542971598.db2.gz CUEVRQUZVXWLKY-KRWDZBQOSA-N 2 0 317.477 2.646 20 0 DFADRP C[C@@H](CN1CC[NH+](C)CC1)[NH2+][C@H](C1CCC1)C1CCCCC1 ZINC000424327117 296502746 /nfs/dbraw/zinc/50/27/46/296502746.db2.gz YPMODJOGGSBSCT-LPHOPBHVSA-N 2 0 307.526 2.961 20 0 DFADRP CC[N@@H+]1CC[C@@H](C[NH2+][C@H]2CCc3cc(OC)c(OC)cc32)C1 ZINC000280146968 542986913 /nfs/dbraw/zinc/98/69/13/542986913.db2.gz PZRDBPIOYLCVKJ-BBRMVZONSA-N 2 0 304.434 2.623 20 0 DFADRP C[C@H]1C[C@H]([NH2+]CCc2cccc(C(F)(F)F)n2)CC[N@@H+]1C ZINC000293768083 543020780 /nfs/dbraw/zinc/02/07/80/543020780.db2.gz RWKKAVCTVJFTMK-WCQYABFASA-N 2 0 301.356 2.715 20 0 DFADRP C[C@H]([NH2+][C@@H]1CCCCC[C@@H]1O)c1cccc(OCC[NH+](C)C)c1 ZINC000348691343 285643756 /nfs/dbraw/zinc/64/37/56/285643756.db2.gz CFPHXZFUGRCQLR-IPELMVKDSA-N 2 0 320.477 2.971 20 0 DFADRP CC(C)[C@@H]([NH2+]C1CCN(CC[NH+](C)C)CC1)c1ccc(F)cn1 ZINC000353550585 146664778 /nfs/dbraw/zinc/66/47/78/146664778.db2.gz HXTUAUKZEBULCD-GOSISDBHSA-N 2 0 322.472 2.533 20 0 DFADRP C[C@@H]1CCCC[C@@H]1C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C ZINC000424649520 296519842 /nfs/dbraw/zinc/51/98/42/296519842.db2.gz AVLKOUFIQLOWEE-SJORKVTESA-N 2 0 311.514 2.545 20 0 DFADRP C[C@@H]([NH2+]CC(C)(C)N1CC[NH+](C)CC1)c1ccc(F)c(F)c1 ZINC000314281560 543069043 /nfs/dbraw/zinc/06/90/43/543069043.db2.gz BKZMLJHQECSTOP-CYBMUJFWSA-N 2 0 311.420 2.641 20 0 DFADRP COc1ccc([C@H](C)[NH2+]CC(C)(C)N2CC[NH+](C)CC2)c(F)c1 ZINC000319646889 543079634 /nfs/dbraw/zinc/07/96/34/543079634.db2.gz CXQKQJTWIPYMHJ-AWEZNQCLSA-N 2 0 323.456 2.511 20 0 DFADRP [NH3+]C1CCC(C(=O)NCC2([NH+]3CCCCC3)CCCCC2)CC1 ZINC000320318785 543082020 /nfs/dbraw/zinc/08/20/20/543082020.db2.gz DZBICHPWJKQTLK-UHFFFAOYSA-N 2 0 321.509 2.809 20 0 DFADRP CC[NH+](CC)[C@H](CNC(=O)[C@H]1CCC[C@H]1C[NH3+])c1ccccc1 ZINC000321587631 543085923 /nfs/dbraw/zinc/08/59/23/543085923.db2.gz WINZATVMULRDOI-OKZBNKHCSA-N 2 0 317.477 2.561 20 0 DFADRP CC(C)C[C@H](NC(=O)CN1CC[C@](C)(C[NH3+])C1)c1ccccc1 ZINC000337774694 543132002 /nfs/dbraw/zinc/13/20/02/543132002.db2.gz WXCNSHQDFCNMLA-PKOBYXMFSA-N 2 0 317.477 2.561 20 0 DFADRP CCCC[NH+]1CCC(NC(=O)CC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000339272078 543142644 /nfs/dbraw/zinc/14/26/44/543142644.db2.gz CCTINJJNDBDPNL-INIZCTEOSA-N 2 0 309.498 2.632 20 0 DFADRP CCC[NH+]1CCC(N(C)C(=O)CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000339269742 543142983 /nfs/dbraw/zinc/14/29/83/543142983.db2.gz KNFMXOUBQGKMOU-MRXNPFEDSA-N 2 0 309.498 2.584 20 0 DFADRP COc1ccc2c(c1)OC[C@H]([NH2+]C1CC[NH+](CC(C)C)CC1)C2 ZINC000341907215 543158806 /nfs/dbraw/zinc/15/88/06/543158806.db2.gz NFVUGQVDPGJNTO-QGZVFWFLSA-N 2 0 318.461 2.709 20 0 DFADRP C[NH+](C)CCCOc1cnccc1C[NH2+][C@H]1CC[C@H]1C1CC1 ZINC000343993152 543170104 /nfs/dbraw/zinc/17/01/04/543170104.db2.gz ROIVPGZAQWLEFA-IRXDYDNUSA-N 2 0 303.450 2.690 20 0 DFADRP CC[N@@H+]1CC[C@@H](N(C)CC(=O)N[C@H](C)c2ccccc2)[C@@H](C)C1 ZINC000625256884 399868465 /nfs/dbraw/zinc/86/84/65/399868465.db2.gz VOISQSXHVBTRTB-LZLYRXPVSA-N 2 0 317.477 2.526 20 0 DFADRP CN(CCCn1ccnc1)Cc1ccncc1Br ZINC000625271903 399871560 /nfs/dbraw/zinc/87/15/60/399871560.db2.gz ADZNEERYMCOCPN-UHFFFAOYSA-N 2 0 309.211 2.563 20 0 DFADRP C[N@@H+]1CCCC[C@@H]1CC[NH+]1CC[C@H](c2ccccc2)[C@H](CO)C1 ZINC000352246654 543228823 /nfs/dbraw/zinc/22/88/23/543228823.db2.gz RCXQZJYRMFVOMJ-XUVXKRRUSA-N 2 0 316.489 2.959 20 0 DFADRP [NH3+]CC[C@H]1CCCC[N@@H+]1Cc1ccc(Oc2cnccn2)cc1 ZINC000352535182 543230039 /nfs/dbraw/zinc/23/00/39/543230039.db2.gz NRLLVEYVHKWBPL-MRXNPFEDSA-N 2 0 312.417 2.972 20 0 DFADRP CC(C)[C@@H]1CC[C@H]1[NH2+]Cc1ccccc1C[N@@H+]1CC[C@@H](O)C1 ZINC000353676222 543237519 /nfs/dbraw/zinc/23/75/19/543237519.db2.gz WCGTVOYODJAQSU-CEXWTWQISA-N 2 0 302.462 2.777 20 0 DFADRP C[N@@H+]1CC[C@H]([NH2+]C[C@](C)(CO)Cc2ccccc2)[C@H]2CCC[C@@H]21 ZINC000353681113 543237836 /nfs/dbraw/zinc/23/78/36/543237836.db2.gz ADVFDIHXRAXFLE-FUMNGEBKSA-N 2 0 316.489 2.690 20 0 DFADRP CC[C@H]([NH2+]CC(C)(C)N1CC[NH+](C)CC1)c1ccc(F)cc1 ZINC000386430516 543301544 /nfs/dbraw/zinc/30/15/44/543301544.db2.gz QTRURNZQYMVXBN-KRWDZBQOSA-N 2 0 307.457 2.892 20 0 DFADRP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)C(C)(C)O ZINC000390929505 543308107 /nfs/dbraw/zinc/30/81/07/543308107.db2.gz ZNQXFHSFUUJSIR-CCNLRDMRSA-N 2 0 302.462 2.931 20 0 DFADRP CCC[N@@H+]1CC[C@H](N[C@@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C)C1 ZINC000398181548 543310870 /nfs/dbraw/zinc/31/08/70/543310870.db2.gz KDLPNSNNWOBUAT-YSIASYRMSA-N 2 0 315.505 2.971 20 0 DFADRP C[C@H]([NH2+][C@@H](C)c1cccc(OCC[NH+](C)C)c1)c1cnn(C)c1 ZINC000163867369 145223791 /nfs/dbraw/zinc/22/37/91/145223791.db2.gz AWIUJWYFYSKGPL-GJZGRUSLSA-N 2 0 316.449 2.772 20 0 DFADRP CC1CC[NH+](Cc2ccc(NC(=O)C[C@H]3CCC[NH2+]3)cc2)CC1 ZINC000164562694 145224608 /nfs/dbraw/zinc/22/46/08/145224608.db2.gz JYQDMSKHDTZWBO-GOSISDBHSA-N 2 0 315.461 2.999 20 0 DFADRP C[C@@H]1CCC[N@H+](Cc2ccc(NC(=O)C[C@@H]3CCC[NH2+]3)cc2)C1 ZINC000164577100 145224634 /nfs/dbraw/zinc/22/46/34/145224634.db2.gz USUFEUTZHIQDNX-QAPCUYQASA-N 2 0 315.461 2.999 20 0 DFADRP C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccc(CNC(=O)C(C)(C)[NH3+])cc2)C1 ZINC000164837623 145226722 /nfs/dbraw/zinc/22/67/22/145226722.db2.gz YJJNWOCJBSSGCN-GASCZTMLSA-N 2 0 317.477 2.518 20 0 DFADRP COC[C@@H]([NH2+]C[C@@H]1CC[N@H+](CCc2ccccc2)C1)C1CC1 ZINC000165348737 145229328 /nfs/dbraw/zinc/22/93/28/145229328.db2.gz RATNOQAJSFUNSQ-PKOBYXMFSA-N 2 0 302.462 2.566 20 0 DFADRP CC(C)[C@@H](O)CC[NH2+][C@@H](C)c1cccc(OCC[NH+](C)C)c1 ZINC000165399717 145230662 /nfs/dbraw/zinc/23/06/62/145230662.db2.gz VSMLWOOKLWWWGN-YJBOKZPZSA-N 2 0 308.466 2.685 20 0 DFADRP [NH3+]CCCCCCC(=O)N[C@@H]1CCC[N@@H+](C2CCCCC2)C1 ZINC000168525427 145243512 /nfs/dbraw/zinc/24/35/12/145243512.db2.gz VWURPACSOHMDHW-MRXNPFEDSA-N 2 0 309.498 2.809 20 0 DFADRP C[C@H]([NH3+])[C@@H]1CCN(Cc2nc(-c3cccc(Cl)c3)no2)C1 ZINC000168612339 145244661 /nfs/dbraw/zinc/24/46/61/145244661.db2.gz PQHYUHNJCNPGNJ-CMPLNLGQSA-N 2 0 306.797 2.559 20 0 DFADRP Cc1noc(C)c1C[NH+]1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000171306302 145262653 /nfs/dbraw/zinc/26/26/53/145262653.db2.gz DOPPBNDDUUHZTO-OKILXGFUSA-N 2 0 321.465 2.613 20 0 DFADRP OC1(C[NH2+][C@@H]2CC[C@H]2C2CC2)CC[NH+](Cc2ccccc2)CC1 ZINC000414307963 543325757 /nfs/dbraw/zinc/32/57/57/543325757.db2.gz PSEPKELCEPQCLV-RBUKOAKNSA-N 2 0 314.473 2.792 20 0 DFADRP CCN(CC(=O)NC1CC[NH+](C(C)C)CC1)Cc1cccs1 ZINC000172242893 145297094 /nfs/dbraw/zinc/29/70/94/145297094.db2.gz JUGPBVILEVZROA-UHFFFAOYSA-N 2 0 323.506 2.559 20 0 DFADRP CC[C@H](Cc1ccc(OC)c(OC)c1)[NH2+][C@H]1CCC[C@@H]([NH3+])C1 ZINC000414928535 543328089 /nfs/dbraw/zinc/32/80/89/543328089.db2.gz QDPWYQYDKRJBGP-OAGGEKHMSA-N 2 0 306.450 2.884 20 0 DFADRP COc1sc(C[NH2+][C@@H]2CCC[C@H]([NH3+])C2)cc1Br ZINC000414937185 543328422 /nfs/dbraw/zinc/32/84/22/543328422.db2.gz ZWESZSOPZSKMML-DTWKUNHWSA-N 2 0 319.268 2.879 20 0 DFADRP C[C@@H]1C[NH+](Cc2ccccc2C[NH2+]C2CCOCC2)C[C@@H](C)O1 ZINC000174293762 145374971 /nfs/dbraw/zinc/37/49/71/145374971.db2.gz NDDKMROIIPWUDS-HZPDHXFCSA-N 2 0 318.461 2.564 20 0 DFADRP C[NH+]1CCN(c2cc[nH+]c(NCc3cccc4[nH]ccc43)c2)CC1 ZINC000630961601 399954437 /nfs/dbraw/zinc/95/44/37/399954437.db2.gz RJCZJHUJOBAWLF-UHFFFAOYSA-N 2 0 321.428 2.927 20 0 DFADRP CCC1([NH+]2CCCC2)CCN(C(=O)C[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC000633954639 399965162 /nfs/dbraw/zinc/96/51/62/399965162.db2.gz VVQJNPZTYFELBM-IAGOWNOFSA-N 2 0 321.509 2.726 20 0 DFADRP CCC[N@H+](C)CC(C)(C)NC(=O)c1ccc(-c2c[nH]cn2)cc1 ZINC000633652035 399930371 /nfs/dbraw/zinc/93/03/71/399930371.db2.gz YGKZBYDYFZFILW-UHFFFAOYSA-N 2 0 314.433 2.927 20 0 DFADRP c1c(CNCC[NH2+]C2CCCCCC2)onc1C1CC[NH2+]CC1 ZINC000425388987 296576333 /nfs/dbraw/zinc/57/63/33/296576333.db2.gz SWADHBZSSGVTBC-UHFFFAOYSA-N 2 0 320.481 2.544 20 0 DFADRP C[C@H](O)C[NH+]1CCC(C[N@H+](C)Cc2ccc3[nH]ccc3c2)CC1 ZINC000628165393 399994559 /nfs/dbraw/zinc/99/45/59/399994559.db2.gz WTBKUJOPCQFRBH-HNNXBMFYSA-N 2 0 315.461 2.693 20 0 DFADRP CC[NH+](CC)CCO[C@H]1CC[N@H+](C[C@@]2(C)CCCS2)C1 ZINC000628186673 399997837 /nfs/dbraw/zinc/99/78/37/399997837.db2.gz SMHWMOGVUHPNMU-JKSUJKDBSA-N 2 0 300.512 2.705 20 0 DFADRP Cc1ccc([C@@H](C)C[NH2+][C@@H](C)CCN2CC[NH+](C)CC2)cc1 ZINC000628240406 400006555 /nfs/dbraw/zinc/00/65/55/400006555.db2.gz CUDGBQZCSROGNH-ROUUACIJSA-N 2 0 303.494 2.714 20 0 DFADRP C[NH+](C)CCCOc1cnccc1C[NH2+]C[C@@]1(C)CCCS1 ZINC000628282595 400013318 /nfs/dbraw/zinc/01/33/18/400013318.db2.gz LKEMTDDNTFQLSE-QGZVFWFLSA-N 2 0 323.506 2.787 20 0 DFADRP C[N@@H+]1CCCC[C@@H](CNC(=O)[C@@H]2CCCC[NH+]2C2CCCC2)C1 ZINC000628748975 400052340 /nfs/dbraw/zinc/05/23/40/400052340.db2.gz ZKMMGIYIEGNUOA-WMZOPIPTSA-N 2 0 321.509 2.632 20 0 DFADRP CCC[C@@H]([NH2+]C[C@@H](C)N1CC[NH+](CC)CC1)c1cc(C)ccn1 ZINC000631569184 400052617 /nfs/dbraw/zinc/05/26/17/400052617.db2.gz KAVRDDHIUYTKNL-QZTJIDSGSA-N 2 0 318.509 2.847 20 0 DFADRP CCC[C@@H]([NH2+]C[C@H](C)CN1CC[NH+](C)CC1)c1cc(C)ccn1 ZINC000631574824 400053441 /nfs/dbraw/zinc/05/34/41/400053441.db2.gz GKSNPHRULZTJSJ-ZWKOTPCHSA-N 2 0 318.509 2.704 20 0 DFADRP C[C@H](Cc1cnccn1)[NH2+]C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000631661718 400063290 /nfs/dbraw/zinc/06/32/90/400063290.db2.gz BWGPIIKVZWELRF-SCTDSRPQSA-N 2 0 324.472 2.765 20 0 DFADRP C[C@H](Cc1cnccn1)[NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000631661719 400063517 /nfs/dbraw/zinc/06/35/17/400063517.db2.gz BWGPIIKVZWELRF-YQVWRLOYSA-N 2 0 324.472 2.765 20 0 DFADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C[NH2+]C1CCC(O)CC1 ZINC000631664943 400064181 /nfs/dbraw/zinc/06/41/81/400064181.db2.gz SPFVCVGTKCFGBF-SVUBNXHSSA-N 2 0 302.462 2.648 20 0 DFADRP O[C@H](CC[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)C(F)F ZINC000631697970 400067871 /nfs/dbraw/zinc/06/78/71/400067871.db2.gz AHAPRMJFAFGWRN-YYIAUSFCSA-N 2 0 324.415 2.788 20 0 DFADRP C[C@@H]1CCC[C@@H]([NH+]2CCC([NH2+]CC[C@H](O)C(F)F)CC2)C1 ZINC000631699506 400068064 /nfs/dbraw/zinc/06/80/64/400068064.db2.gz ZXSQDGFLSGJUEI-YUELXQCFSA-N 2 0 304.425 2.635 20 0 DFADRP COc1cccc(-c2nc(C[NH+]3CCC(C[NH3+])CC3)co2)c1 ZINC000631820981 400077644 /nfs/dbraw/zinc/07/76/44/400077644.db2.gz LWUVKJLCRRPBKV-UHFFFAOYSA-N 2 0 301.390 2.521 20 0 DFADRP C(c1nc(C2CCC2)no1)[N@@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000631828933 400078121 /nfs/dbraw/zinc/07/81/21/400078121.db2.gz CECMTFNWWDXUAL-HNNXBMFYSA-N 2 0 304.438 2.549 20 0 DFADRP FC1(F)CC[C@H](C[NH+]2CCC(CO[C@@H]3CC[NH2+]C3)CC2)C1 ZINC000631830376 400078236 /nfs/dbraw/zinc/07/82/36/400078236.db2.gz QKRSGXMDQLHCGY-LSDHHAIUSA-N 2 0 302.409 2.512 20 0 DFADRP Cc1cnc(C(C)(C)[NH2+]CCCN2CC[NH+](C(C)C)CC2)s1 ZINC000189934249 145839658 /nfs/dbraw/zinc/83/96/58/145839658.db2.gz XLDJFSPWLBMOJL-UHFFFAOYSA-N 2 0 324.538 2.692 20 0 DFADRP CCc1ccc([C@@H](CNC(=O)[C@]2(C)CCCC[NH2+]2)[NH+](C)C)cc1 ZINC000236960232 146032540 /nfs/dbraw/zinc/03/25/40/146032540.db2.gz WYNFWSHFZKKBKM-MJGOQNOKSA-N 2 0 317.477 2.500 20 0 DFADRP CC[C@@H]1C[NH+]([C@@H](C)CC[N@@H+]2CCCO[C@H](CC)C2)CCCO1 ZINC000439477931 543353592 /nfs/dbraw/zinc/35/35/92/543353592.db2.gz WDQKAROZHNYIHI-RCCFBDPRSA-N 2 0 312.498 2.767 20 0 DFADRP C[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]([NH3+])C(C)(C)C)[C@@H]1c1cccs1 ZINC000237080134 146036083 /nfs/dbraw/zinc/03/60/83/146036083.db2.gz MEFNSMFZCGSMIG-NWANDNLSSA-N 2 0 323.506 2.621 20 0 DFADRP [NH3+][C@H](C(=O)NCc1ccccc1C[NH+]1CCCC1)c1ccccc1 ZINC000238023534 146056930 /nfs/dbraw/zinc/05/69/30/146056930.db2.gz MKFRWPNABLABQH-IBGZPJMESA-N 2 0 323.440 2.599 20 0 DFADRP CC[N@@H+]1CC[C@@H]([NH+](C)CCOc2ccc(OC)cc2)[C@@H](C)C1 ZINC000245415621 146066947 /nfs/dbraw/zinc/06/69/47/146066947.db2.gz DJOXYJKVXMNMMN-MAUKXSAKSA-N 2 0 306.450 2.736 20 0 DFADRP c1coc([C@H](CN[C@@H]2CC[N@@H+]3CCC[C@H]3C2)[NH+]2CCCC2)c1 ZINC000246014432 146114440 /nfs/dbraw/zinc/11/44/40/146114440.db2.gz SIYOOCZCCSSWQI-IKGGRYGDSA-N 2 0 303.450 2.633 20 0 DFADRP CC[N@@H+]1CC[C@@H]([NH2+]CCCOc2cccc(OC)c2)[C@@H](C)C1 ZINC000246446658 146139668 /nfs/dbraw/zinc/13/96/68/146139668.db2.gz OWJABDJTTGFTHX-MAUKXSAKSA-N 2 0 306.450 2.784 20 0 DFADRP CC[N@@H+]1CC[C@@H]([NH2+]CCCOCCc2ccccc2)[C@@H](C)C1 ZINC000246896671 146157474 /nfs/dbraw/zinc/15/74/74/146157474.db2.gz FRCYEXGQSSQNTE-PKOBYXMFSA-N 2 0 304.478 2.956 20 0 DFADRP CC[N@@H+]1CC[C@@H]([NH2+]CCCOc2ccc(OC)cc2)[C@@H](C)C1 ZINC000247003501 146158605 /nfs/dbraw/zinc/15/86/05/146158605.db2.gz KTYQIYGRPGBRJE-MAUKXSAKSA-N 2 0 306.450 2.784 20 0 DFADRP C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)c1ccc2c(c1)C[NH2+]C2 ZINC000261543979 146238154 /nfs/dbraw/zinc/23/81/54/146238154.db2.gz DJKSYITUNZKNBK-OAHLLOKOSA-N 2 0 323.440 2.540 20 0 DFADRP C[C@H]([NH2+][C@@H]1CCC[C@@H]1C[NH3+])[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000261552922 146239613 /nfs/dbraw/zinc/23/96/13/146239613.db2.gz SBQIGKBVABRWSI-JCHJZTRSSA-N 3 0 301.478 2.614 20 0 DFADRP FC(F)(F)Oc1cccc(CN2CC[C@@H]3C[NH2+]C[C@H]3C2)c1 ZINC000261600625 146244202 /nfs/dbraw/zinc/24/42/02/146244202.db2.gz BPGCRKSCAYEQCA-OLZOCXBDSA-N 2 0 300.324 2.627 20 0 DFADRP COCCN(Cc1ccc(Br)s1)CC(C)(C)[NH3+] ZINC000261609097 146244972 /nfs/dbraw/zinc/24/49/72/146244972.db2.gz AOXJDZSEYXMRKP-UHFFFAOYSA-N 2 0 321.284 2.696 20 0 DFADRP Cc1ccc(C[N@@H+]2CCC[C@@H](CC[NH3+])C2)c(-c2cnn(C)c2)c1 ZINC000261646191 146252627 /nfs/dbraw/zinc/25/26/27/146252627.db2.gz APQXEJZOUSCYMK-INIZCTEOSA-N 2 0 312.461 2.956 20 0 DFADRP Cc1ccc(C[N@@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)c(-c2ccnn2C)c1 ZINC000261656345 146255348 /nfs/dbraw/zinc/25/53/48/146255348.db2.gz BITWOPBOXHSSNH-RYQLBKOJSA-N 2 0 310.445 2.565 20 0 DFADRP CCC(CC)(CNC(=O)C[C@@H](C)[NH3+])[NH2+][C@@H](C)c1ccccc1 ZINC000261701945 146261720 /nfs/dbraw/zinc/26/17/20/146261720.db2.gz CRUUORMXANLKNF-CABCVRRESA-N 2 0 305.466 2.750 20 0 DFADRP c1cc(-c2nc(CN3CC[C@@H]4C[NH2+]C[C@H]4C3)cs2)cs1 ZINC000261710607 146263675 /nfs/dbraw/zinc/26/36/75/146263675.db2.gz JMKUIKOCEXSTNR-YPMHNXCESA-N 2 0 305.472 2.913 20 0 DFADRP COc1c(O)cccc1C[N@@H+]1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000261707161 146264008 /nfs/dbraw/zinc/26/40/08/146264008.db2.gz MDCLOFDTFGHNCE-SJORKVTESA-N 2 0 312.413 2.575 20 0 DFADRP Cc1ccc2ncc(CN3C[C@@H](c4ccccc4)[C@H]([NH3+])C3)n2c1 ZINC000261715910 146264586 /nfs/dbraw/zinc/26/45/86/146264586.db2.gz MZBDBIIZIOPEAK-ZWKOTPCHSA-N 2 0 306.413 2.569 20 0 DFADRP C[C@H]([NH3+])CC(=O)NCc1ccc(C[NH+]2C[C@H](C)C[C@@H](C)C2)cc1 ZINC000261724749 146267069 /nfs/dbraw/zinc/26/70/69/146267069.db2.gz FMQQBJRPKJRFMJ-OAGGEKHMSA-N 2 0 317.477 2.518 20 0 DFADRP CN(C[C@]1(C)CC[NH2+]C1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000261732908 146268242 /nfs/dbraw/zinc/26/82/42/146268242.db2.gz HJFCOGVKBXEFAR-RTBURBONSA-N 2 0 301.478 2.582 20 0 DFADRP C[C@@H](C[C@H]1CCCCC[NH2+]1)[NH2+]C1CCN(c2ccccn2)CC1 ZINC000261762157 146272254 /nfs/dbraw/zinc/27/22/54/146272254.db2.gz PYSXJHMAAWRXNF-FUHWJXTLSA-N 2 0 316.493 2.951 20 0 DFADRP COC(=O)c1ccc(Cl)c(CN2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)c1 ZINC000261780334 146274927 /nfs/dbraw/zinc/27/49/27/146274927.db2.gz FKPKZIVMQNHCNX-DUVNUKRYSA-N 2 0 322.836 2.686 20 0 DFADRP C[C@]1(C[NH3+])CC[N@H+](Cc2cccc(OCc3ccccn3)c2)C1 ZINC000261781554 146275965 /nfs/dbraw/zinc/27/59/65/146275965.db2.gz TYPLFSFCWJYVJX-LJQANCHMSA-N 2 0 311.429 2.831 20 0 DFADRP C[NH2+][C@H](C)Cc1noc(C2CC[NH+](Cc3ccccc3)CC2)n1 ZINC000261795961 146277520 /nfs/dbraw/zinc/27/75/20/146277520.db2.gz OVPQVLMTWOKOES-CQSZACIVSA-N 2 0 314.433 2.600 20 0 DFADRP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](Cc3c[nH]nc3-c3ccsc3)C[C@H]21 ZINC000261797753 146279274 /nfs/dbraw/zinc/27/92/74/146279274.db2.gz GRPWJEHTYYKEAC-KCPJHIHWSA-N 2 0 302.447 2.697 20 0 DFADRP Cc1ccc(C[N@H+]2CCC[C@H]([C@H](C)[NH3+])C2)c(-c2ccnn2C)c1 ZINC000261811303 146279964 /nfs/dbraw/zinc/27/99/64/146279964.db2.gz HQJODULEHMZSCD-HOTGVXAUSA-N 2 0 312.461 2.955 20 0 DFADRP [NH3+]Cc1ccc(NC(=O)N2CCC([NH+]3CCCCC3)CC2)cc1 ZINC000261830357 146284681 /nfs/dbraw/zinc/28/46/81/146284681.db2.gz XNIFFLHTLPWWJY-UHFFFAOYSA-N 2 0 316.449 2.628 20 0 DFADRP Nc1ncc(C[NH2+]CC2CC[NH+](Cc3ccccc3)CC2)s1 ZINC000261833720 146286325 /nfs/dbraw/zinc/28/63/25/146286325.db2.gz JQVSRDGBRZFWBX-UHFFFAOYSA-N 2 0 316.474 2.727 20 0 DFADRP C[N@H+](CCCNC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2[NH2+]1)C1CCCCC1 ZINC000261850228 146288770 /nfs/dbraw/zinc/28/87/70/146288770.db2.gz ZSUNVGLHMOCKGN-NJAFHUGGSA-N 2 0 321.509 2.678 20 0 DFADRP CCOc1ccc(OCC[NH+]2CCC(CC[NH2+]C)CC2)cc1 ZINC000261852927 146289185 /nfs/dbraw/zinc/28/91/85/146289185.db2.gz DRIBUVGGUUAZQJ-UHFFFAOYSA-N 2 0 306.450 2.786 20 0 DFADRP CC(C)c1cccc(NC(=O)CN2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)c1 ZINC000261863925 146290376 /nfs/dbraw/zinc/29/03/76/146290376.db2.gz KOLNAQVSFYVDOO-CGTJXYLNSA-N 2 0 315.461 2.808 20 0 DFADRP [NH3+]C1(c2noc([C@@H]3CCC[N@H+](Cc4ccccc4)C3)n2)CCC1 ZINC000261868575 146292115 /nfs/dbraw/zinc/29/21/15/146292115.db2.gz VAEMYQIIKGTZPO-OAHLLOKOSA-N 2 0 312.417 2.787 20 0 DFADRP C[C@@]1(CN2CCC(Oc3ccc(F)cc3F)CC2)CC[NH2+]C1 ZINC000261879608 146293826 /nfs/dbraw/zinc/29/38/26/146293826.db2.gz QQVSRVDVTYBPIA-QGZVFWFLSA-N 2 0 310.388 2.808 20 0 DFADRP CC(C)C[N@H+](C[C@@H](O)c1ccc(F)cc1)C[C@]1(C)CC[NH2+]C1 ZINC000261912100 146300359 /nfs/dbraw/zinc/30/03/59/146300359.db2.gz YMLYGPXHGVQMBR-QZTJIDSGSA-N 2 0 308.441 2.817 20 0 DFADRP [NH3+][C@@H]1CC[C@H]2CN(Cc3c(F)cccc3Br)C[C@@H]12 ZINC000261937016 146305373 /nfs/dbraw/zinc/30/53/73/146305373.db2.gz MGBWSHGWOICPAY-IMSIIYSGSA-N 2 0 313.214 2.757 20 0 DFADRP [NH3+][C@@H]1CC[C@H]2CN(Cc3c(F)cccc3Br)C[C@H]12 ZINC000261937018 146306033 /nfs/dbraw/zinc/30/60/33/146306033.db2.gz MGBWSHGWOICPAY-PKFCDNJMSA-N 2 0 313.214 2.757 20 0 DFADRP Clc1ccccc1CC[NH2+][C@@H]1CCC[C@H]1[C@H]1COCCN1 ZINC000261975750 146313861 /nfs/dbraw/zinc/31/38/61/146313861.db2.gz RCCINRIIXBPGHG-DJIMGWMZSA-N 2 0 308.853 2.629 20 0 DFADRP C[NH2+]CCC1CC[NH+](CCC(=O)Nc2cccc(F)c2C)CC1 ZINC000261985395 146315108 /nfs/dbraw/zinc/31/51/08/146315108.db2.gz JPRYUWBKNKUJNT-UHFFFAOYSA-N 2 0 321.440 2.784 20 0 DFADRP Cc1ccc(C[N@@H+]2CCC3(C2)CC[NH2+]CC3)c(-c2cnn(C)c2)c1 ZINC000262026935 146323390 /nfs/dbraw/zinc/32/33/90/146323390.db2.gz NQNZQMRPTFPSGO-UHFFFAOYSA-N 2 0 324.472 2.971 20 0 DFADRP Cc1ccc(C[N@H+](C)CC(C)(C)C[NH3+])c(-c2ccnn2C)c1 ZINC000262033448 146324641 /nfs/dbraw/zinc/32/46/41/146324641.db2.gz XKXWZLSUUWGGNK-UHFFFAOYSA-N 2 0 300.450 2.812 20 0 DFADRP COc1ccc2nc(C[NH+]3CCC([C@@H](C)[NH3+])CC3)sc2c1 ZINC000262034321 146325120 /nfs/dbraw/zinc/32/51/20/146325120.db2.gz XNHVOKSAVDXJEO-LLVKDONJSA-N 2 0 305.447 2.864 20 0 DFADRP C[C@]1(C[NH+]2CCC(n3ccc(C(F)(F)F)n3)CC2)CC[NH2+]C1 ZINC000262052366 146327111 /nfs/dbraw/zinc/32/71/11/146327111.db2.gz QIDFHFXUZKXUJQ-AWEZNQCLSA-N 2 0 316.371 2.538 20 0 DFADRP COCc1cccc(OCC2(C[NH+]3CCC([NH3+])CC3)CCC2)c1 ZINC000262066488 146329914 /nfs/dbraw/zinc/32/99/14/146329914.db2.gz BCCDKATVPILOSV-UHFFFAOYSA-N 2 0 318.461 2.805 20 0 DFADRP Clc1cc2c(c(C[N@@H+]3CCC4(C3)CC[NH2+]CC4)c1)OCC2 ZINC000262069945 146329974 /nfs/dbraw/zinc/32/99/74/146329974.db2.gz RXSMYGUFFANECS-UHFFFAOYSA-N 2 0 306.837 2.850 20 0 DFADRP COCc1cccc(OCC2(C[NH2+]CC3([NH3+])CCC3)CCC2)c1 ZINC000262118989 146335364 /nfs/dbraw/zinc/33/53/64/146335364.db2.gz LRJRIEQQCFZNAK-UHFFFAOYSA-N 2 0 318.461 2.853 20 0 DFADRP CC[N@H+](CC1CCN(c2ccccn2)CC1)C[C@]1(C)CC[NH2+]C1 ZINC000262115831 146335435 /nfs/dbraw/zinc/33/54/35/146335435.db2.gz WXPYEHZRKOSKKJ-LJQANCHMSA-N 2 0 316.493 2.620 20 0 DFADRP O[C@H]1C[NH2+]C[C@@H]1C[NH2+]Cc1ccc(-c2ccccc2Cl)s1 ZINC000262161723 146339799 /nfs/dbraw/zinc/33/97/99/146339799.db2.gz STKFJSRHWCQCTH-NHYWBVRUSA-N 2 0 322.861 2.738 20 0 DFADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]C[C@@H]1COc2ccccc2O1 ZINC000262358474 146353477 /nfs/dbraw/zinc/35/34/77/146353477.db2.gz WEIMOEVKMJTCFB-OWCLPIDISA-N 2 0 304.434 2.727 20 0 DFADRP Cc1cccc(N2CC[NH+](C[C@H]3CC[NH2+][C@H](C)C3)CC2)c1C ZINC000262413985 146357683 /nfs/dbraw/zinc/35/76/83/146357683.db2.gz DJSTZOXHLJFFBD-AEFFLSMTSA-N 2 0 301.478 2.814 20 0 DFADRP C[NH+](C)[C@@H](CNC(=O)[C@H]([NH3+])CC1CCCCC1)c1cccs1 ZINC000262480876 146363743 /nfs/dbraw/zinc/36/37/43/146363743.db2.gz JYCOVCDEBFKXQB-CABCVRRESA-N 2 0 323.506 2.765 20 0 DFADRP CC[NH+](CC)Cc1cccc(NC(=O)[C@H]2C[C@@H](C)CC[NH2+]2)c1 ZINC000262518119 146366578 /nfs/dbraw/zinc/36/65/78/146366578.db2.gz NTLCVYFHLJJCRI-WMLDXEAASA-N 2 0 303.450 2.855 20 0 DFADRP [NH3+][C@@H]1CC[C@@H]2CN(Cc3nc(-c4ccc(Cl)cc4)no3)C[C@@H]12 ZINC000262519854 146366646 /nfs/dbraw/zinc/36/66/46/146366646.db2.gz NYAACSBVAMDZMC-MRVWCRGKSA-N 2 0 318.808 2.559 20 0 DFADRP COc1ccc(CCN(CC[NH3+])Cc2ccsc2)cc1OC ZINC000262737803 146386375 /nfs/dbraw/zinc/38/63/75/146386375.db2.gz CIWDOMWIXPEMST-UHFFFAOYSA-N 2 0 320.458 2.769 20 0 DFADRP C[NH+](C)C1(CNC(=O)[C@@H]2CCCC[C@@]2(C)[NH3+])CCCCCC1 ZINC000263217801 146436224 /nfs/dbraw/zinc/43/62/24/146436224.db2.gz LEAGHFBTBMVNNY-DOTOQJQBSA-N 2 0 309.498 2.665 20 0 DFADRP C[C@@H]1COCC[C@@H]1[NH2+]Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000354328576 146996027 /nfs/dbraw/zinc/99/60/27/146996027.db2.gz JGXLJFVNYZVTKO-APWZRJJASA-N 2 0 318.461 2.676 20 0 DFADRP COc1ccc2c(c1)OC[C@H]([NH2+]CCCc1ccc(C)nc1)C2 ZINC000354550464 147075968 /nfs/dbraw/zinc/07/59/68/147075968.db2.gz ORHNGXOITBNDCZ-QGZVFWFLSA-N 2 0 312.413 2.925 20 0 DFADRP CCC(C)(C)[NH2+][C@H](C)C(=O)NC[C@]1([NH+](C)C)CCC[C@H](C)C1 ZINC000355646151 147395408 /nfs/dbraw/zinc/39/54/08/147395408.db2.gz FCDZEIYFRZINAH-DAYGRLMNSA-N 2 0 311.514 2.780 20 0 DFADRP COCCOc1cccc(C[NH2+]CC2(C)CC[NH+](C)CC2)c1 ZINC000355765074 147440438 /nfs/dbraw/zinc/44/04/38/147440438.db2.gz JEFLREPBJGLKCP-UHFFFAOYSA-N 2 0 306.450 2.533 20 0 DFADRP C[C@@H](CCNC(=O)CC[C@H]1CCCC[N@@H+]1C)[NH+]1CCCCC1 ZINC000356031077 147537264 /nfs/dbraw/zinc/53/72/64/147537264.db2.gz CXPJGTOPBXSUQI-DLBZAZTESA-N 2 0 309.498 2.632 20 0 DFADRP CO[C@H](C[N@@H+]1C[C@@H]2C[NH+]3CCCC[C@H]3[C@H]2C1)c1ccccc1 ZINC000374777943 286004621 /nfs/dbraw/zinc/00/46/21/286004621.db2.gz NUXMPRMFQKGVRY-YDZRNGNQSA-N 2 0 300.446 2.790 20 0 DFADRP CCC(C)(C)[NH2+][C@@H](C)C(=O)N1CCC(CCC[NH+](C)C)CC1 ZINC000357590982 148050977 /nfs/dbraw/zinc/05/09/77/148050977.db2.gz AOVBQQJTRHNCDR-HNNXBMFYSA-N 2 0 311.514 2.734 20 0 DFADRP CCOc1cc(C[NH+]2CCC(C[NH+](C)C)CC2)ccc1OC ZINC000350174903 286014890 /nfs/dbraw/zinc/01/48/90/286014890.db2.gz DTTBWIXYKQSDEZ-UHFFFAOYSA-N 2 0 306.450 2.868 20 0 DFADRP CC(C)[C@@H]1C[C@H](C[NH2+]Cc2cc(C3CC[NH2+]CC3)no2)CCO1 ZINC000425892862 296602941 /nfs/dbraw/zinc/60/29/41/296602941.db2.gz AVJDHKALXLPKKY-KDOFPFPSSA-N 2 0 321.465 2.682 20 0 DFADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CCOC2CCCC2)[C@H](C)C1 ZINC000358016755 148213493 /nfs/dbraw/zinc/21/34/93/148213493.db2.gz HLDHBOYJRWONFG-SJLPKXTDSA-N 2 0 312.498 2.672 20 0 DFADRP CCO[C@@H](CC[NH2+]Cc1cc(C2CC[NH2+]CC2)no1)C(C)C ZINC000425903864 296603679 /nfs/dbraw/zinc/60/36/79/296603679.db2.gz WYFPKRXGXNZSHR-KRWDZBQOSA-N 2 0 309.454 2.682 20 0 DFADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]CCc2ccc(O)cc2)[C@H](C)C1 ZINC000358103470 148243978 /nfs/dbraw/zinc/24/39/78/148243978.db2.gz WTYYYQVGBMHDMV-APWZRJJASA-N 2 0 320.477 2.661 20 0 DFADRP CO[C@H](c1ccccc1)[C@H](C)[NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1 ZINC000279609516 286024042 /nfs/dbraw/zinc/02/40/42/286024042.db2.gz XFRVBZGETSUNNF-LNLFQRSKSA-N 2 0 320.477 2.853 20 0 DFADRP OCC[C@H]([NH2+]Cc1cc(C2CC[NH2+]CC2)no1)C1CCCCC1 ZINC000425897495 296603338 /nfs/dbraw/zinc/60/33/38/296603338.db2.gz UQCZCNQKLSBJLI-KRWDZBQOSA-N 2 0 321.465 2.563 20 0 DFADRP Cc1[nH+]ccc(N2CCC([N@H+]3CCO[C@H](C)C3)CC2)c1Cl ZINC000350344508 286030592 /nfs/dbraw/zinc/03/05/92/286030592.db2.gz ZOWKBSIKAXFICB-GFCCVEGCSA-N 2 0 309.841 2.733 20 0 DFADRP CC[N@@H+]1CC[C@H]([NH2+]CC[C@@H]2COc3ccccc3O2)[C@H](C)C1 ZINC000358280751 148316787 /nfs/dbraw/zinc/31/67/87/148316787.db2.gz BUFYIPAVSOGKAQ-OAGGEKHMSA-N 2 0 304.434 2.536 20 0 DFADRP C[C@@H]1C[N@H+](C)C[C@@H]1N[C@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000358407075 148349315 /nfs/dbraw/zinc/34/93/15/148349315.db2.gz QZESPTRKSMUWHH-FPAYPSAMSA-N 2 0 301.478 2.579 20 0 DFADRP CC(C)[C@H](C(=O)N[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1)[NH+](C)C ZINC000358569645 148388197 /nfs/dbraw/zinc/38/81/97/148388197.db2.gz WRSPUWDKGQDEFJ-BPQIPLTHSA-N 2 0 317.477 2.524 20 0 DFADRP Cc1ccc2cc([C@@H](C)[NH2+]CC3(O)CC[NH+](C)CC3)oc2c1 ZINC000426038118 296610903 /nfs/dbraw/zinc/61/09/03/296610903.db2.gz XUNFFZXUOVMHHS-CQSZACIVSA-N 2 0 302.418 2.849 20 0 DFADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]C2C[C@H](C)O[C@@H](C)C2)[C@H](C)C1 ZINC000339097653 286061843 /nfs/dbraw/zinc/06/18/43/286061843.db2.gz ZRIXDDYWZLHRQG-CVYDXHPNSA-N 2 0 312.498 2.669 20 0 DFADRP Fc1ccccc1N1CC[C@H](C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)C1 ZINC000361009708 149006973 /nfs/dbraw/zinc/00/69/73/149006973.db2.gz MHEQKKFHDQGOLT-ZACQAIPSSA-N 2 0 317.452 2.868 20 0 DFADRP CC[N@@H+]1CCC[C@H](C[NH2+]CCCc2ccc3c(c2)CCO3)C1 ZINC000361011505 149007366 /nfs/dbraw/zinc/00/73/66/149007366.db2.gz DTNZEOHJVUVRHC-QGZVFWFLSA-N 2 0 302.462 2.876 20 0 DFADRP COCCOc1ccc([C@@H](C)[NH2+][C@@H]2CCN(C3CC3)C2)cc1 ZINC000361067269 149022028 /nfs/dbraw/zinc/02/20/28/149022028.db2.gz HPPWJVGAOJEDDZ-GDBMZVCRSA-N 2 0 304.434 2.599 20 0 DFADRP COc1ccc(CC[C@H](C)[NH2+]CC2CC[NH+](C)CC2)cc1O ZINC000426157513 296615894 /nfs/dbraw/zinc/61/58/94/296615894.db2.gz UPZSEMWUKBVWQI-AWEZNQCLSA-N 2 0 306.450 2.653 20 0 DFADRP C[C@H](CCn1cccn1)[NH2+]C[C@H]1CC[N@H+](C)[C@H]1c1ccccc1 ZINC000361104735 149029096 /nfs/dbraw/zinc/02/90/96/149029096.db2.gz LAYVPGSXYKAWMA-QRQLOZEOSA-N 2 0 312.461 2.944 20 0 DFADRP CCN(CCC[NH+]1CCCC1)Cc1cn(C)nc1C(F)F ZINC000361147701 149039422 /nfs/dbraw/zinc/03/94/22/149039422.db2.gz VIXQOQQHRNJKQA-UHFFFAOYSA-N 2 0 300.397 2.666 20 0 DFADRP C[C@@H]1C[N@@H+]([C@@H]2C[C@H]2c2ccccc2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000361348300 149093652 /nfs/dbraw/zinc/09/36/52/149093652.db2.gz JIDJWBGVDUFDBL-GSEOLPGOSA-N 2 0 313.489 2.500 20 0 DFADRP C[C@@H]([NH2+]C[C@@]1(C)CCOC1)c1cccc(OCC[NH+](C)C)c1 ZINC000361396334 149104776 /nfs/dbraw/zinc/10/47/76/149104776.db2.gz GARVOLPQDOZFRC-CRAIPNDOSA-N 2 0 306.450 2.704 20 0 DFADRP C[C@@H]1C[C@H](N(C)C(=O)[C@H]2CC[NH+](C3CCCCC3)C2)CC[N@@H+]1C ZINC000361494980 149130351 /nfs/dbraw/zinc/13/03/51/149130351.db2.gz BBEJFIAZDSNKBA-SOLBZPMBSA-N 2 0 321.509 2.582 20 0 DFADRP CCc1ccccc1C[NH+]1CCN(c2cc[nH+]cc2OC)CC1 ZINC000361531412 149140268 /nfs/dbraw/zinc/14/02/68/149140268.db2.gz RITNDXPZQVJSCD-UHFFFAOYSA-N 2 0 311.429 2.975 20 0 DFADRP [NH3+]CCCCCCC(=O)NC1CC[NH+](Cc2ccsc2)CC1 ZINC000361723738 149201760 /nfs/dbraw/zinc/20/17/60/149201760.db2.gz XCSKHALXKOCANL-UHFFFAOYSA-N 2 0 323.506 2.738 20 0 DFADRP c1ccc([C@@H]2C[C@@H]2[NH+]2CCC(C[NH+]3CCOCC3)CC2)cc1 ZINC000274554758 296617651 /nfs/dbraw/zinc/61/76/51/296617651.db2.gz YMKVGBZZZBJEIX-OALUTQOASA-N 2 0 300.446 2.587 20 0 DFADRP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]CCc1nc(C(F)(F)F)cs1 ZINC000361806230 149224718 /nfs/dbraw/zinc/22/47/18/149224718.db2.gz GALIRLNRTSAZFC-NXEZZACHSA-N 2 0 307.385 2.634 20 0 DFADRP CC1CCN(C(=[NH2+])NC[C@H]2CC[N@H+](C)[C@@H]2c2cccs2)CC1 ZINC000361947170 149262598 /nfs/dbraw/zinc/26/25/98/149262598.db2.gz ZAWGPQJBVWUTIV-ZBFHGGJFSA-N 2 0 320.506 2.997 20 0 DFADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]C[C@]2(C)CCCS2)[C@@H](C)C1 ZINC000361973470 149268376 /nfs/dbraw/zinc/26/83/76/149268376.db2.gz XPDSCGZYJTZASW-ULQDDVLXSA-N 2 0 314.539 2.999 20 0 DFADRP Cc1ccc(C)c(C[N@@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@H](C)C2)c1 ZINC000362079438 149290138 /nfs/dbraw/zinc/29/01/38/149290138.db2.gz PDXFASHWBVMHOF-QUCCMNQESA-N 2 0 315.505 2.761 20 0 DFADRP Cc1ccccc1C[N@@H+]1CCN(C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000362641112 149331410 /nfs/dbraw/zinc/33/14/10/149331410.db2.gz OLBOFYNWEJAJSD-KRWDZBQOSA-N 2 0 301.478 2.595 20 0 DFADRP CCC[C@@H]([NH2+]C(C)C)C(=O)NC[C@@H](c1ccsc1)[NH+](C)C ZINC000351261635 286118773 /nfs/dbraw/zinc/11/87/73/286118773.db2.gz XIQRPQMWNMJESY-CABCVRRESA-N 2 0 311.495 2.634 20 0 DFADRP [NH3+][C@@H]1CC[C@H]2C[N@H+](Cc3ccc(OCc4ccncc4)cc3)C[C@H]12 ZINC000351472899 286128901 /nfs/dbraw/zinc/12/89/01/286128901.db2.gz BSZYQOKCXGUDMX-YSIASYRMSA-N 2 0 323.440 2.830 20 0 DFADRP [NH3+][C@@H]1CC[C@H]2C[N@H+](CCOc3ccccc3C(F)(F)F)C[C@H]12 ZINC000351475823 286129389 /nfs/dbraw/zinc/12/93/89/286129389.db2.gz JKIQXZDGTSQEQN-SGMGOOAPSA-N 2 0 314.351 2.753 20 0 DFADRP Cc1nc(C[C@H]2CCC[NH+](CC[C@H]3CCCC[N@H+]3C)C2)no1 ZINC000351545331 286149213 /nfs/dbraw/zinc/14/92/13/286149213.db2.gz OWTPDHKGCIYNLX-HZPDHXFCSA-N 2 0 306.454 2.507 20 0 DFADRP C[NH+](C)Cc1ccc(NC(=O)[C@]2([NH+](C)C)CCCSC2)cc1 ZINC000371243030 150010037 /nfs/dbraw/zinc/01/00/37/150010037.db2.gz RLXLBZODXAURNP-KRWDZBQOSA-N 2 0 321.490 2.514 20 0 DFADRP Cc1cc(C)cc(C[N@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@@H]32)c1 ZINC000371294530 150018096 /nfs/dbraw/zinc/01/80/96/150018096.db2.gz LLFWCIXFVDRELC-GBESFXJTSA-N 2 0 302.462 2.987 20 0 DFADRP CCOC[C@@H]1CCC[C@H]1[NH2+]CC1(SC)CC[NH+](C)CC1 ZINC000353627355 286151415 /nfs/dbraw/zinc/15/14/15/286151415.db2.gz VNSIRPFLRHBDSR-LSDHHAIUSA-N 2 0 300.512 2.609 20 0 DFADRP CC[NH+](CC)C[C@@H]1CCN(Cc2cc(-c3cccnc3)n[nH]2)C1 ZINC000371398354 150038909 /nfs/dbraw/zinc/03/89/09/150038909.db2.gz LSLIVOCRWJAHIR-HNNXBMFYSA-N 2 0 313.449 2.635 20 0 DFADRP CCC1(CC)[C@H](OC)C[C@@H]1[NH2+]CCc1cn2c(n1)CCCC2 ZINC000371506545 150057151 /nfs/dbraw/zinc/05/71/51/150057151.db2.gz SHRFJFHCQGHETJ-JKSUJKDBSA-N 2 0 305.466 2.945 20 0 DFADRP CCC1(CC)[C@H]([NH2+]CCc2cn3c(n2)CCCC3)C[C@@H]1OC ZINC000371506542 150058031 /nfs/dbraw/zinc/05/80/31/150058031.db2.gz SHRFJFHCQGHETJ-CVEARBPZSA-N 2 0 305.466 2.945 20 0 DFADRP CC[C@@H](C(=O)Nc1cccc(-c2nc(C)c(C)[nH]2)c1)[NH+](C)C ZINC000371980296 150120957 /nfs/dbraw/zinc/12/09/57/150120957.db2.gz XJWPGOZVWBULPN-HNNXBMFYSA-N 2 0 300.406 2.972 20 0 DFADRP C[C@@H]1C[N@H+](C[C@H]2CCCO2)CC[C@H]1[NH2+]CCCOC1CCCC1 ZINC000371978079 150121029 /nfs/dbraw/zinc/12/10/29/150121029.db2.gz IOJJPDGKTPSECY-BHIYHBOVSA-N 2 0 324.509 2.815 20 0 DFADRP C[N@@H+]1CCCC[C@H]1CC[NH+]1CCC(CN2CCCCC2=O)CC1 ZINC000372018478 150125646 /nfs/dbraw/zinc/12/56/46/150125646.db2.gz WPCUUKOGBCAUBL-SFHVURJKSA-N 2 0 321.509 2.585 20 0 DFADRP C[N@@H+]1CCC[C@@H]2CN(Cc3nc4ccc(F)cc4o3)CC[C@H]21 ZINC000372048501 150129705 /nfs/dbraw/zinc/12/97/05/150129705.db2.gz ZQHICHFDKAGDJI-IUODEOHRSA-N 2 0 303.381 2.883 20 0 DFADRP CCc1nccn1[C@@H]1CCC[N@H+](CC[C@H]2CCCC[NH+]2C)C1 ZINC000351598738 286164792 /nfs/dbraw/zinc/16/47/92/286164792.db2.gz VEUDYCGZIWBMIS-IAGOWNOFSA-N 2 0 304.482 2.957 20 0 DFADRP C[N@H+](Cc1cccc(Cl)c1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000372368873 150167726 /nfs/dbraw/zinc/16/77/26/150167726.db2.gz LDTBBVYIEGWXTL-SFHVURJKSA-N 2 0 321.896 2.940 20 0 DFADRP CC[NH+](CC)[C@@H](CNC(=O)C[C@@H]1CCC[NH2+]CC1)CC(C)C ZINC000372419406 150170022 /nfs/dbraw/zinc/17/00/22/150170022.db2.gz CFAFXCFXDNMMGO-IAGOWNOFSA-N 2 0 311.514 2.639 20 0 DFADRP O=C(Nc1cccc(C[NH+]2CCCCC2)c1)[C@@H]1C[C@@]12CC[NH2+]C2 ZINC000372433016 150172597 /nfs/dbraw/zinc/17/25/97/150172597.db2.gz ZNUOQHUQTCTAKR-PKOBYXMFSA-N 2 0 313.445 2.611 20 0 DFADRP C[NH+]1CCN(C2(C[NH2+]C[C@@H]3CCC=CO3)CCCCCC2)CC1 ZINC000373204488 150246344 /nfs/dbraw/zinc/24/63/44/150246344.db2.gz IKIWOXTZSOAGKL-SFHVURJKSA-N 2 0 321.509 2.609 20 0 DFADRP CC(=O)Nc1ccccc1C[N@H+]1CCC[C@H](c2nccn2C)C1 ZINC000373230846 150250717 /nfs/dbraw/zinc/25/07/17/150250717.db2.gz RGQKQEDPLZKRFW-INIZCTEOSA-N 2 0 312.417 2.758 20 0 DFADRP C[C@H](C[N@@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@@H]21)c1ccccc1 ZINC000374420426 150364937 /nfs/dbraw/zinc/36/49/37/150364937.db2.gz LIKWEUJURPMMCN-OQIJWPOYSA-N 2 0 302.462 2.974 20 0 DFADRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+]C1CC(c2ccccc2F)C1 ZINC000375074327 150398214 /nfs/dbraw/zinc/39/82/14/150398214.db2.gz MNXXFRJTALYTGR-KLAILNCOSA-N 2 0 319.468 2.687 20 0 DFADRP CCO[C@@H](CC[NH+](C)C)C[NH2+][C@H](C)c1ccc(NC(C)=O)cc1 ZINC000182113380 286198549 /nfs/dbraw/zinc/19/85/49/286198549.db2.gz JUDDNMLXMMULSB-KDOFPFPSSA-N 2 0 321.465 2.652 20 0 DFADRP Cc1ncc(C[NH+]2CCC(CCC[NH+]3CCCC3)CC2)cn1 ZINC000351721501 286202667 /nfs/dbraw/zinc/20/26/67/286202667.db2.gz SUIVDBYSCULWIB-UHFFFAOYSA-N 2 0 302.466 2.873 20 0 DFADRP CCN(CCC[NH+](CC)CC)C(=O)[C@H](C)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000351803679 286222411 /nfs/dbraw/zinc/22/24/11/286222411.db2.gz GAOAWUILJCBCOA-BBWFWOEESA-N 2 0 311.514 2.828 20 0 DFADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]CC2CC(OCC)C2)[C@@H](C)C1 ZINC000351821220 286226363 /nfs/dbraw/zinc/22/63/63/286226363.db2.gz GYZZHLDDPUOLLH-BFWZDYSYSA-N 2 0 312.498 2.528 20 0 DFADRP O=C(C[C@H]1CCC[NH2+]CC1)NC1CC[NH+](CC2CCCC2)CC1 ZINC000427298259 296652855 /nfs/dbraw/zinc/65/28/55/296652855.db2.gz ASQVOTIICSNEQQ-INIZCTEOSA-N 2 0 321.509 2.537 20 0 DFADRP C[C@@H](F)CC[NH+]1CCC(CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000351886217 286237451 /nfs/dbraw/zinc/23/74/51/286237451.db2.gz CESJXVHHOGPYCI-OAGGEKHMSA-N 2 0 300.462 2.946 20 0 DFADRP CC[NH+](CC)CCOC1CC[NH+](Cc2cc(O)cc(F)c2)CC1 ZINC000351989104 286262789 /nfs/dbraw/zinc/26/27/89/286262789.db2.gz PWZJSILCRYIZJJ-UHFFFAOYSA-N 2 0 324.440 2.854 20 0 DFADRP C[N@@H+]1CCC[C@@H]1CC[NH+]1CC[C@]2(C1)CCc1ccccc1O2 ZINC000352018055 286270897 /nfs/dbraw/zinc/27/08/97/286270897.db2.gz MZZLCIAAZDTZTM-MJGOQNOKSA-N 2 0 300.446 2.940 20 0 DFADRP CN(CCC[NH+]1CCN(c2ccccc2)CC1)Cc1ccco1 ZINC000352102262 286292111 /nfs/dbraw/zinc/29/21/11/286292111.db2.gz KTPSKYVAAZNLOA-UHFFFAOYSA-N 2 0 313.445 2.924 20 0 DFADRP CCC[C@@H]([NH2+]C(C)C)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000352130395 286299662 /nfs/dbraw/zinc/29/96/62/286299662.db2.gz YYQSVNJKZZIMMI-ZWKOTPCHSA-N 2 0 317.477 2.544 20 0 DFADRP CCC[C@H]([NH2+]C(C)C)C(=O)N[C@H](C[NH+](C)C)c1ccccc1 ZINC000352139996 286302229 /nfs/dbraw/zinc/30/22/29/286302229.db2.gz IRXAUKXAZOHSBT-DLBZAZTESA-N 2 0 305.466 2.572 20 0 DFADRP COc1ccc(C[N@H+](CC2CC2)C[C@]2(C)CC[NH2+]C2)c(OC)c1 ZINC000262107555 286303075 /nfs/dbraw/zinc/30/30/75/286303075.db2.gz WBYRXUHNSSDYMX-LJQANCHMSA-N 2 0 318.461 2.915 20 0 DFADRP CCC[NH+]1CCN(c2ccccc2C[N@H+](C)[C@@H](C)COC)CC1 ZINC000352311769 286341956 /nfs/dbraw/zinc/34/19/56/286341956.db2.gz ZADAHFKDXAUKHD-KRWDZBQOSA-N 2 0 319.493 2.685 20 0 DFADRP C[C@H]([NH3+])[C@H]1CCCCN1C(=O)c1ccc(Nc2cc[nH+]cc2)cc1 ZINC000428127966 296681127 /nfs/dbraw/zinc/68/11/27/296681127.db2.gz ZAXCWAPJWNHXTJ-KBXCAEBGSA-N 2 0 324.428 2.589 20 0 DFADRP CCC[C@H]([NH2+]C(C)C)C(=O)N[C@H](C)C[N@H+](C)Cc1ccccc1 ZINC000352349919 286350127 /nfs/dbraw/zinc/35/01/27/286350127.db2.gz IIZIQDMFUUGKNH-AEFFLSMTSA-N 2 0 319.493 2.790 20 0 DFADRP CC[C@H](C(=O)NCCC[NH+](C)C(C)C)[N@H+](C)Cc1ccccc1 ZINC000352499105 286389481 /nfs/dbraw/zinc/38/94/81/286389481.db2.gz SKGYQMVKMVQHQT-GOSISDBHSA-N 2 0 319.493 2.744 20 0 DFADRP C[C@@H]([NH2+]C1CCN(CC[NH+](C)C)CC1)C1CCC(F)(F)CC1 ZINC000353278904 286599402 /nfs/dbraw/zinc/59/94/02/286599402.db2.gz QEYJGXCMOFEXHQ-CQSZACIVSA-N 2 0 317.468 2.816 20 0 DFADRP C[N@H+](CCCN1CC[NH+](C)CC1)[C@H]1CCCc2ccc(F)cc21 ZINC000182963087 158010671 /nfs/dbraw/zinc/01/06/71/158010671.db2.gz AZIUVPNCYZMMQC-IBGZPJMESA-N 2 0 319.468 2.772 20 0 DFADRP CCSCC[NH+]1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000182960729 158010831 /nfs/dbraw/zinc/01/08/31/158010831.db2.gz ZOKFADGHZRQIET-UHFFFAOYSA-N 2 0 300.512 2.564 20 0 DFADRP Cc1ncc(C[NH+]2CCC(CCC[NH+]3CCOCC3)CC2)s1 ZINC000182957237 158011460 /nfs/dbraw/zinc/01/14/60/158011460.db2.gz IGSGDKAVJHGNOF-UHFFFAOYSA-N 2 0 323.506 2.776 20 0 DFADRP CC(C)OCCC[NH+]1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000182949816 158011539 /nfs/dbraw/zinc/01/15/39/158011539.db2.gz CAQYHXMGVGOGPJ-UHFFFAOYSA-N 2 0 312.498 2.626 20 0 DFADRP CC[N@@H+]1CC[C@H]([NH2+]CCc2nc3cc(F)ccc3n2C)[C@@H](C)C1 ZINC000246491310 158093922 /nfs/dbraw/zinc/09/39/22/158093922.db2.gz RXXVIEMKHJKTKI-ZFWWWQNUSA-N 2 0 318.440 2.575 20 0 DFADRP C[C@H]([NH2+][C@@H]1CCC[C@@H]([NH+](C)C)C1)c1ccc([S@](C)=O)cc1 ZINC000246993718 158112609 /nfs/dbraw/zinc/11/26/09/158112609.db2.gz JMWZRHKPNLLAQX-FAIQAVJNSA-N 2 0 308.491 2.947 20 0 DFADRP COc1ccc(O[C@H](C)C[NH2+][C@@H]2C[C@H](C)[N@H+](C)C[C@@H]2C)cc1 ZINC000247194436 158123154 /nfs/dbraw/zinc/12/31/54/158123154.db2.gz UPTUBLZILRVHAD-OIPACUDHSA-N 2 0 306.450 2.781 20 0 DFADRP CC[NH+]1CCN([C@H]2CC[N@@H+]([C@H](C)c3cccc(C)c3)C2)CC1 ZINC000247224157 158123287 /nfs/dbraw/zinc/12/32/87/158123287.db2.gz CYRJOLLXVBUXHK-MJGOQNOKSA-N 2 0 301.478 2.768 20 0 DFADRP C[C@@H]1CC[N@H+](CCCOCC(F)(F)F)C[C@H]1n1ccnc1 ZINC000247729704 158149486 /nfs/dbraw/zinc/14/94/86/158149486.db2.gz VBPWQDFCMCIIFP-CHWSQXEVSA-N 2 0 305.344 2.735 20 0 DFADRP C[C@H]([NH2+]C[C@H]1CCCC[C@H]1O)c1cccc(OCC[NH+](C)C)c1 ZINC000247922673 158151766 /nfs/dbraw/zinc/15/17/66/158151766.db2.gz BJLLOCTYMBCGHD-KVSKMBFKSA-N 2 0 320.477 2.829 20 0 DFADRP CC[N@@H+]1CC[C@H](NC[C@@H](c2cccc(OC)c2)[NH+](C)C)[C@@H](C)C1 ZINC000247889644 158152330 /nfs/dbraw/zinc/15/23/30/158152330.db2.gz FBOUMTGUAIKONO-SNRMKQJTSA-N 2 0 319.493 2.618 20 0 DFADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]CCOc2ccccc2)[C@@H](C)C1 ZINC000248026416 158157523 /nfs/dbraw/zinc/15/75/23/158157523.db2.gz PBYKRZYBZIABEH-HKUYNNGSSA-N 2 0 320.477 2.792 20 0 DFADRP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)[C@H]2CCc3ccc(F)cc32)CC1 ZINC000248327823 158166552 /nfs/dbraw/zinc/16/65/52/158166552.db2.gz CPOQQFNPUXXMQS-KUHUBIRLSA-N 2 0 320.452 2.838 20 0 DFADRP CC[N@H+](C)CCN[C@@H]1CCC[C@H]2C[NH+](Cc3ccccc3)C[C@H]21 ZINC000248403512 158172611 /nfs/dbraw/zinc/17/26/11/158172611.db2.gz OQFRAWLUWKYBLO-XUVXKRRUSA-N 2 0 315.505 2.828 20 0 DFADRP C[C@H]([NH2+]Cc1ccccc1C[N@@H+]1CCC[C@H]1CO)C1CCC1 ZINC000248461629 158177660 /nfs/dbraw/zinc/17/76/60/158177660.db2.gz XRMVLGQDEJPYAE-KXBFYZLASA-N 2 0 302.462 2.922 20 0 DFADRP CC(C)[C@](C)(O)C[N@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000248541641 158182462 /nfs/dbraw/zinc/18/24/62/158182462.db2.gz CAIVFCAZFYCOHN-RTBURBONSA-N 2 0 304.478 2.847 20 0 DFADRP CC[NH+](CC)[C@H](C(=O)N[C@@H]1CCC[N@H+](C)[C@H]1C)c1ccccc1 ZINC000343465552 158223520 /nfs/dbraw/zinc/22/35/20/158223520.db2.gz VGOYZCKEKLRNCI-JQHSSLGASA-N 2 0 317.477 2.668 20 0 DFADRP COC(=O)C[C@@H]1CC[C@H]([NH2+]CC(C)(C)C[NH+]2CCCC2)[C@H]1C ZINC000355143229 158284137 /nfs/dbraw/zinc/28/41/37/158284137.db2.gz ZRPLVVKIIPQDKK-JYJNAYRXSA-N 2 0 310.482 2.676 20 0 DFADRP COC(=O)C(C)(C)CC[NH2+]C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000355157521 158287719 /nfs/dbraw/zinc/28/77/19/158287719.db2.gz FNTXANQANAMKMG-QGZVFWFLSA-N 2 0 318.461 2.687 20 0 DFADRP C[C@H](CO)CCC[NH2+][C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000356903808 158320765 /nfs/dbraw/zinc/32/07/65/158320765.db2.gz SONKGLHPQQFVMW-IJXRJRJASA-N 2 0 316.489 2.895 20 0 DFADRP C[C@H](CO)CCC[NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]12 ZINC000356903830 158320832 /nfs/dbraw/zinc/32/08/32/158320832.db2.gz SONKGLHPQQFVMW-OJAHFUOMSA-N 2 0 316.489 2.895 20 0 DFADRP COc1c[nH+]ccc1N1CCN(c2cc[nH+]c(C)c2Cl)CC1 ZINC000357014178 158346993 /nfs/dbraw/zinc/34/69/93/158346993.db2.gz VIJGPOGCAMTXFU-UHFFFAOYSA-N 2 0 318.808 2.774 20 0 DFADRP c1nn(-c2ccccc2)cc1C[NH+]1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000357042680 158354748 /nfs/dbraw/zinc/35/47/48/158354748.db2.gz FTUCHPJZJCQCBT-SFHVURJKSA-N 2 0 310.445 2.694 20 0 DFADRP CCOc1ccc(C[NH+]2CCC([C@H]3CC[NH2+]C3)CC2)cc1OC ZINC000357044882 158356051 /nfs/dbraw/zinc/35/60/51/158356051.db2.gz HJZXSXRSSOIGNV-KRWDZBQOSA-N 2 0 318.461 2.915 20 0 DFADRP c1csc(-c2n[nH]cc2C[NH+]2CCC([C@H]3CC[NH2+]C3)CC2)c1 ZINC000357045239 158356220 /nfs/dbraw/zinc/35/62/20/158356220.db2.gz HVHHMOGSNFUMTA-AWEZNQCLSA-N 2 0 316.474 2.960 20 0 DFADRP c1cn(-c2csc(C[NH+]3CCC([C@H]4CC[NH2+]C4)CC3)c2)cn1 ZINC000357061223 158359497 /nfs/dbraw/zinc/35/94/97/158359497.db2.gz ZTMNVHVVPCEWAQ-HNNXBMFYSA-N 2 0 316.474 2.755 20 0 DFADRP CCc1cccc(C)c1NC(=O)C[N@@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000358495859 158381740 /nfs/dbraw/zinc/38/17/40/158381740.db2.gz HZHPTBBSWVFFAI-UHFFFAOYSA-N 2 0 315.461 2.571 20 0 DFADRP O=C(C[N@@H+]1CCC2(C1)CC[NH2+]CC2)Nc1cccc2ccccc21 ZINC000358506354 158382992 /nfs/dbraw/zinc/38/29/92/158382992.db2.gz JKEVLQLBMZGHHB-UHFFFAOYSA-N 2 0 323.440 2.854 20 0 DFADRP C1C([NH2+][C@@H]2[C@@H]3CCO[C@@H]3C23CCCC3)CC1[NH+]1CCCCC1 ZINC000373524988 158747856 /nfs/dbraw/zinc/74/78/56/158747856.db2.gz WLSGYETVQZUPKL-YOHUBWIESA-N 2 0 304.478 2.941 20 0 DFADRP C[NH+](C)Cc1cccc(C[NH2+]Cc2cc(C(F)(F)F)n[nH]2)c1 ZINC000440824216 297166529 /nfs/dbraw/zinc/16/65/29/297166529.db2.gz UDXQHYCCDISYRD-UHFFFAOYSA-N 2 0 312.339 2.780 20 0 DFADRP [NH3+][C@H]1CCCCCC[C@H]1C(=O)NCCC[NH+]1CCCCCC1 ZINC000430828704 296808651 /nfs/dbraw/zinc/80/86/51/296808651.db2.gz VFLHVBKWTTVOQE-SJORKVTESA-N 2 0 309.498 2.666 20 0 DFADRP CCCOc1ccc(OCC[NH+]2CCC3(CC[NH2+]C3)CC2)cc1 ZINC000431027057 296818350 /nfs/dbraw/zinc/81/83/50/296818350.db2.gz ZLUJGDVBGNBJLL-UHFFFAOYSA-N 2 0 318.461 2.930 20 0 DFADRP C[C@H](c1nc(-c2ccccc2)no1)[NH+]1CCC2(CC[NH2+]C2)CC1 ZINC000431039144 296818913 /nfs/dbraw/zinc/81/89/13/296818913.db2.gz QSEYBAXCLCNYRB-CQSZACIVSA-N 2 0 312.417 2.873 20 0 DFADRP Cc1cccc(CC[C@@H](C)[NH2+]CCCN2CC[NH+](C)CC2)c1 ZINC000128953782 196007130 /nfs/dbraw/zinc/00/71/30/196007130.db2.gz WGEAGDSLWAEWAF-GOSISDBHSA-N 2 0 303.494 2.543 20 0 DFADRP c1ccc(CC[N@@H+]2CC[C@H](NC3CC[NH+](C4CC4)CC3)C2)cc1 ZINC000129461082 196050648 /nfs/dbraw/zinc/05/06/48/196050648.db2.gz UDZAMZPQEAGYDG-IBGZPJMESA-N 2 0 313.489 2.520 20 0 DFADRP COc1ccc(C[N@@H+]2CC[C@H](CNc3cccc(C)[nH+]3)C2)cn1 ZINC000131302461 196159129 /nfs/dbraw/zinc/15/91/29/196159129.db2.gz KEWGWNRKLASKNL-MRXNPFEDSA-N 2 0 312.417 2.728 20 0 DFADRP [NH3+]Cc1ccc(NC(=O)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)cc1 ZINC000131437902 196168891 /nfs/dbraw/zinc/16/88/91/196168891.db2.gz QUXCCPRASUKVDS-GOSISDBHSA-N 2 0 323.440 2.996 20 0 DFADRP C[C@H]([NH2+]CC(C)(C)C[NH+](C)C)c1ccc(OCC[NH+](C)C)cc1 ZINC000132103881 196226729 /nfs/dbraw/zinc/22/67/29/196226729.db2.gz KQIRUWKXYKEJJS-INIZCTEOSA-N 3 0 321.509 2.865 20 0 DFADRP COCCOc1ccc([C@H](C)[NH2+]CC(C)(C)C[NH+](C)C)cc1 ZINC000132123239 196227370 /nfs/dbraw/zinc/22/73/70/196227370.db2.gz YCIRFFVHFARQBB-HNNXBMFYSA-N 2 0 308.466 2.950 20 0 DFADRP C[C@@H]1CCCC[N@@H+]1CCC[NH2+][C@H]1CCO[C@H](C(F)(F)F)C1 ZINC000314587249 287268701 /nfs/dbraw/zinc/26/87/01/287268701.db2.gz DTAUIBKZRRIWLM-RDBSUJKOSA-N 2 0 308.388 2.950 20 0 DFADRP Fc1ccc2c(c1)CC[C@@H]2[NH2+]C1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000132748719 196279826 /nfs/dbraw/zinc/27/98/26/196279826.db2.gz IODRNEYIJUGZIM-LIRRHRJNSA-N 2 0 318.436 2.904 20 0 DFADRP CC[C@H]([NH2+]Cc1ccc(C[NH+]2CCC(O)CC2)cc1)C1CC1 ZINC000132804161 196285224 /nfs/dbraw/zinc/28/52/24/196285224.db2.gz ZVBVIPMNNMEHND-IBGZPJMESA-N 2 0 302.462 2.922 20 0 DFADRP c1ccc2c(c1)CC[C@@H]2[NH2+]C1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000132841148 196288908 /nfs/dbraw/zinc/28/89/08/196288908.db2.gz QEALUAQMCFVPBM-KXBFYZLASA-N 2 0 300.446 2.764 20 0 DFADRP c1ccc2c(c1)CC[C@@H]2[NH2+]C1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000132841595 196289069 /nfs/dbraw/zinc/28/90/69/196289069.db2.gz QEALUAQMCFVPBM-BEFAXECRSA-N 2 0 300.446 2.764 20 0 DFADRP C[C@@H]1C[C@H]1c1ccc(C[NH+]2CCC(C[NH+]3CCOCC3)CC2)o1 ZINC000134107091 196361401 /nfs/dbraw/zinc/36/14/01/196361401.db2.gz NHSZBFKXMUOJKX-CRAIPNDOSA-N 2 0 318.461 2.947 20 0 DFADRP C[C@H]1C[C@@H]1c1ccc(C[NH+]2CCC(C[NH+]3CCOCC3)CC2)o1 ZINC000134106886 196362111 /nfs/dbraw/zinc/36/21/11/196362111.db2.gz NHSZBFKXMUOJKX-YJBOKZPZSA-N 2 0 318.461 2.947 20 0 DFADRP COCCC[NH+]1CCC([NH2+]C2CC(Oc3ccccc3)C2)CC1 ZINC000667826405 543687478 /nfs/dbraw/zinc/68/74/78/543687478.db2.gz ABHMHBFYFFDTIH-UHFFFAOYSA-N 2 0 318.461 2.687 20 0 DFADRP C[NH+](C)CCCOc1ccc(C[NH2+][C@H]2CO[C@H](C3CC3)C2)cc1 ZINC000667834684 543689024 /nfs/dbraw/zinc/68/90/24/543689024.db2.gz ZMLCSQOSYKKVGJ-MJGOQNOKSA-N 2 0 318.461 2.674 20 0 DFADRP c1ccc(CN2CCC[C@H]([NH2+][C@@H]3CO[C@H](C4CC4)C3)C2)cc1 ZINC000667884179 543697584 /nfs/dbraw/zinc/69/75/84/543697584.db2.gz NNTZRVQALMPOTK-FHWLQOOXSA-N 2 0 300.446 2.808 20 0 DFADRP CC[NH+](CC)C[C@@H]1CCN(Cc2c(C3CCC3)cnn2C)C1 ZINC000667673193 543657294 /nfs/dbraw/zinc/65/72/94/543657294.db2.gz UWPHWDKKSFCEIM-HNNXBMFYSA-N 2 0 304.482 2.851 20 0 DFADRP CC[N@H+](CCc1nccs1)Cc1ccnn1-c1cc[nH+]cc1 ZINC000667678924 543658342 /nfs/dbraw/zinc/65/83/42/543658342.db2.gz MLALYJMGFTYEAX-UHFFFAOYSA-N 2 0 313.430 2.788 20 0 DFADRP [NH3+]Cc1cccc(NC(=O)NCCCCC[NH+]2CCCC2)c1 ZINC000667734338 543669950 /nfs/dbraw/zinc/66/99/50/543669950.db2.gz VHXMVZOAMIINQT-UHFFFAOYSA-N 2 0 304.438 2.533 20 0 DFADRP C[NH+]1CCN(C[C@@H]([NH2+][C@H]2CCC[C@@H]3C[C@@H]32)c2ccccc2)CC1 ZINC000667755731 543673142 /nfs/dbraw/zinc/67/31/42/543673142.db2.gz BMCVYSNGYPTYGC-FUMNGEBKSA-N 2 0 313.489 2.753 20 0 DFADRP Cc1ncc(CN2CC[C@@H](O)[C@H]2c2ccc(Cl)cc2)n1C ZINC000668251371 543778018 /nfs/dbraw/zinc/77/80/18/543778018.db2.gz XDUFCCNGYPPCPL-HZPDHXFCSA-N 2 0 305.809 2.690 20 0 DFADRP CCC[N@H+](CCC[NH+](C)C)C[C@@H]1CCCO[C@H]1c1ccnn1C ZINC000668168148 543757630 /nfs/dbraw/zinc/75/76/30/543757630.db2.gz OVFPNTSIKHVMMT-FUHWJXTLSA-N 2 0 322.497 2.552 20 0 DFADRP CC1=CC[C@H]([NH2+]Cc2ccc(C[N@@H+]3CC[C@H](O)C3)cc2)CC1 ZINC000668488603 543814322 /nfs/dbraw/zinc/81/43/22/543814322.db2.gz CWEAMHVBNSTGGX-OALUTQOASA-N 2 0 300.446 2.842 20 0 DFADRP C[C@H](CC[NH+]1CCC([N@@H+]2CC[C@H](O)C2)CC1)c1ccccc1 ZINC000668740594 543858919 /nfs/dbraw/zinc/85/89/19/543858919.db2.gz WCMXOOCIMLYKHE-APWZRJJASA-N 2 0 302.462 2.711 20 0 DFADRP C[NH+](C)CCC[C@H]1C[N@H+](Cc2cccc3c2CCC3)CCO1 ZINC000668787262 543867358 /nfs/dbraw/zinc/86/73/58/543867358.db2.gz QLAJOAKNSNGBBQ-SFHVURJKSA-N 2 0 302.462 2.718 20 0 DFADRP CO[C@@H]1CC[N@H+](Cc2ccc(OCC[NH+](C)C)cc2)[C@@H](C)C1 ZINC000669621115 543976855 /nfs/dbraw/zinc/97/68/55/543976855.db2.gz GYLLIHSYBHXUNH-MAUKXSAKSA-N 2 0 306.450 2.626 20 0 DFADRP C[C@H]([NH2+]CC(C)(C)N1CC[NH+](C)CC1)[C@@H]1C[C@H]1c1ccccc1 ZINC000670153791 544025343 /nfs/dbraw/zinc/02/53/43/544025343.db2.gz MUSFXMQDVGIAKZ-WDSOQIARSA-N 2 0 315.505 2.794 20 0 DFADRP COCC1(C[NH2+]Cc2ccc(OCC[NH+](C)C)cc2)CCC1 ZINC000669685516 543983452 /nfs/dbraw/zinc/98/34/52/543983452.db2.gz ZBOFFKDGTCDYJJ-UHFFFAOYSA-N 2 0 306.450 2.533 20 0 DFADRP COc1ccc([C@H](CN(C)C)[NH2+][C@H](C)C2CC[NH+](C)CC2)cc1 ZINC000671304336 544066072 /nfs/dbraw/zinc/06/60/72/544066072.db2.gz IXKDJHOZGSEUHE-BEFAXECRSA-N 2 0 319.493 2.618 20 0 DFADRP Cc1cccn2cc(CC[NH2+][C@@H]3CC[N@@H+](C)[C@@H]4CCC[C@H]43)nc12 ZINC000671749733 544106442 /nfs/dbraw/zinc/10/64/42/544106442.db2.gz MLBFNGALCRPXSN-RCCFBDPRSA-N 2 0 312.461 2.648 20 0 DFADRP C[NH+](C)C1CCC([NH2+]C[C@H]2CCN(c3ccccc3)C2)CC1 ZINC000671740929 544104636 /nfs/dbraw/zinc/10/46/36/544104636.db2.gz BTWOPIZWUCMSLR-WWDZGPRUSA-N 2 0 301.478 2.975 20 0 DFADRP COc1ccccc1OCCC[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@@H]21 ZINC000671746245 544105894 /nfs/dbraw/zinc/10/58/94/544105894.db2.gz ZFLKIUKIOBVMLJ-BRWVUGGUSA-N 2 0 318.461 2.927 20 0 DFADRP COc1ccc2c(c1)OCC[C@@H]2[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@@H]21 ZINC000671748409 544106031 /nfs/dbraw/zinc/10/60/31/544106031.db2.gz GUPFXFHBTVIOPA-NRSFXHEJSA-N 2 0 316.445 2.981 20 0 DFADRP COCCCOc1ccc(C[NH2+][C@@H](C)C2CC[NH+](C)CC2)cc1 ZINC000671764960 544108679 /nfs/dbraw/zinc/10/86/79/544108679.db2.gz SYICYTBGLRHZHQ-INIZCTEOSA-N 2 0 320.477 2.922 20 0 DFADRP C[C@@H]([NH2+]C[C@@H](CO)c1ccc(Cl)cc1)C1CC[NH+](C)CC1 ZINC000672620455 544143915 /nfs/dbraw/zinc/14/39/15/544143915.db2.gz NDWXQYBELWKIKS-CJNGLKHVSA-N 2 0 310.869 2.736 20 0 DFADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@@H](CO)c2ccc(Cl)cc2)[C@H](C)C1 ZINC000672619127 544144021 /nfs/dbraw/zinc/14/40/21/544144021.db2.gz JEJNDFSKGJAWDO-KMFMINBZSA-N 2 0 310.869 2.736 20 0 DFADRP C[NH+](C)CCOc1ccc(C[NH2+]C[C@H]2CCCSC2)cc1 ZINC000673616145 544187054 /nfs/dbraw/zinc/18/70/54/544187054.db2.gz ARTBUHHVHUHCOV-MRXNPFEDSA-N 2 0 308.491 2.860 20 0 DFADRP OC[C@@H]1CCC[N@@H+]1CCCC[NH2+][C@@H]1CCCc2ccc(O)cc21 ZINC000291279783 222281824 /nfs/dbraw/zinc/28/18/24/222281824.db2.gz RBXQLILWJZSCBD-QFBILLFUSA-N 2 0 318.461 2.596 20 0 DFADRP COCCOCc1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc1 ZINC000291284599 222286355 /nfs/dbraw/zinc/28/63/55/222286355.db2.gz RKZXGMCYRNEEBP-YQQQUEKLSA-N 2 0 318.461 2.564 20 0 DFADRP Cn1cc(C[N@@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)cn1 ZINC000291394585 222363469 /nfs/dbraw/zinc/36/34/69/222363469.db2.gz CZKAIPFLDCFNJK-UHFFFAOYSA-N 2 0 324.472 2.908 20 0 DFADRP CC(C)N1CC[C@@H]([NH+]2CCC(C[NH+]3CCCCCC3)CC2)C1=O ZINC000673855132 544203145 /nfs/dbraw/zinc/20/31/45/544203145.db2.gz FULMWYGDPVDQDZ-GOSISDBHSA-N 2 0 321.509 2.584 20 0 DFADRP CC(C)[NH+]1CCC([NH2+]CCN2CCc3ccccc3C2)CC1 ZINC000675736943 544332483 /nfs/dbraw/zinc/33/24/83/544332483.db2.gz OBPJXKWRYGGVII-UHFFFAOYSA-N 2 0 301.478 2.507 20 0 DFADRP C[NH+]1CCN(C(C)(C)C[NH2+][C@@H]2CCc3c2cccc3Cl)CC1 ZINC000675741913 544333043 /nfs/dbraw/zinc/33/30/43/544333043.db2.gz JHDPJRANGOHSSE-QGZVFWFLSA-N 2 0 321.896 2.943 20 0 DFADRP CCC(=O)Nc1cccc(C[NH2+][C@H](C)C2CC[NH+](C)CC2)c1 ZINC000675752376 544333861 /nfs/dbraw/zinc/33/38/61/544333861.db2.gz QJZSWUIDHNONQU-CQSZACIVSA-N 2 0 303.450 2.855 20 0 DFADRP C[C@H]([NH2+][C@H](CC(=O)N(C)C)c1ccccc1)C1CC[NH+](C)CC1 ZINC000675770035 544334905 /nfs/dbraw/zinc/33/49/05/544334905.db2.gz PCAOHBRRVONUDA-MAUKXSAKSA-N 2 0 317.477 2.526 20 0 DFADRP CC[C@H]1CN(C(=O)C(C)C)CC[C@@H]1[NH2+]C1CC[NH+](C(C)C)CC1 ZINC000675915804 544344253 /nfs/dbraw/zinc/34/42/53/544344253.db2.gz ADJFBYLLSBKVJT-WMZOPIPTSA-N 2 0 323.525 2.732 20 0 DFADRP CC(=O)Nc1cccc(C[N@H+]2CC[C@@H](C3CC[NH+](C)CC3)C2)c1 ZINC000677475035 544495320 /nfs/dbraw/zinc/49/53/20/544495320.db2.gz LCYHPVPHAVEEEW-GOSISDBHSA-N 2 0 315.461 2.809 20 0 DFADRP c1cn([C@H]2CCC[N@@H+](CCN3CCCc4ccccc43)C2)cn1 ZINC000677763814 544539215 /nfs/dbraw/zinc/53/92/15/544539215.db2.gz KAQCGCOVESGBDC-SFHVURJKSA-N 2 0 310.445 2.973 20 0 DFADRP Cc1nccn1CCCC[N@H+]1CCC[C@@H](c2cnn(C)c2)C1 ZINC000678074211 544594433 /nfs/dbraw/zinc/59/44/33/544594433.db2.gz CJAOXBYRGMLVME-MRXNPFEDSA-N 2 0 301.438 2.585 20 0 DFADRP Cc1nnc([C@H]2CCC[N@H+](CCCCn3ccnc3C)C2)o1 ZINC000678074610 544594676 /nfs/dbraw/zinc/59/46/76/544594676.db2.gz QLOBPEXBVMFEFR-HNNXBMFYSA-N 2 0 303.410 2.543 20 0 DFADRP CCC[NH+]1CCC([NH2+]CC2CCN(c3cc[nH+]cc3)CC2)CC1 ZINC000678773238 544719051 /nfs/dbraw/zinc/71/90/51/544719051.db2.gz HPDXHPIHWJDTQY-UHFFFAOYSA-N 3 0 316.493 2.762 20 0 DFADRP CCO[C@@H]1C[C@H]([NH2+]CC2(O)CC[NH+](C(C)C)CC2)C12CCCC2 ZINC000678925675 544750209 /nfs/dbraw/zinc/75/02/09/544750209.db2.gz AQBDMVLSMZCJFX-DLBZAZTESA-N 2 0 324.509 2.549 20 0 DFADRP CCO[C@@H]1C[C@@H]([NH2+]CC2(O)CC[NH+](C(C)C)CC2)C12CCCC2 ZINC000678925676 544750348 /nfs/dbraw/zinc/75/03/48/544750348.db2.gz AQBDMVLSMZCJFX-IAGOWNOFSA-N 2 0 324.509 2.549 20 0 DFADRP C[C@@H](C[NH2+][C@H]1CCN(C2CC[NH+](C)CC2)C1)c1ccc(F)cc1 ZINC000678957126 544756716 /nfs/dbraw/zinc/75/67/16/544756716.db2.gz SAAQDPVDHKAKOJ-YJBOKZPZSA-N 2 0 319.468 2.687 20 0 DFADRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H]2CCC(F)(F)C2)[C@@H](C)C1 ZINC000679072871 544779562 /nfs/dbraw/zinc/77/95/62/544779562.db2.gz DTHNAJXUFFPCCR-KKUMJFAQSA-N 2 0 304.425 2.901 20 0 DFADRP CCN1C[C@H]([NH2+][C@@H](C)c2ccc(OCC[NH+](C)C)cc2)[C@@H](C)C1 ZINC000679075293 544780211 /nfs/dbraw/zinc/78/02/11/544780211.db2.gz IIGAJHWFYFHXSX-BXWFABGCSA-N 2 0 319.493 2.618 20 0 DFADRP Cc1ccc2c(c1)[C@@H]([NH2+]CC(C)(C)N1CC[NH+](C)CC1)[C@@H](C)C2 ZINC000679332563 544836499 /nfs/dbraw/zinc/83/64/99/544836499.db2.gz WURPUZMULIDXBV-LPHOPBHVSA-N 2 0 315.505 2.844 20 0 DFADRP COc1ccc(C[NH+]2CCC(C[NH2+]C3CSC3)CC2)cc1 ZINC000679840855 544916344 /nfs/dbraw/zinc/91/63/44/544916344.db2.gz OEAGGVNSZRZRBS-UHFFFAOYSA-N 2 0 306.475 2.612 20 0 DFADRP CCO[C@H]1CCC[N@H+](Cc2cn(-c3cc[nH+]cc3)nc2C)C1 ZINC000680326567 544990086 /nfs/dbraw/zinc/99/00/86/544990086.db2.gz NQYSPXYOXWBUOY-KRWDZBQOSA-N 2 0 300.406 2.577 20 0 DFADRP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+]1CCC[C@@H](n2ccnc2)C1 ZINC000680330567 544991605 /nfs/dbraw/zinc/99/16/05/544991605.db2.gz YZKOHMHWZVNUGI-GOSISDBHSA-N 2 0 322.416 2.609 20 0 DFADRP CN(C)c1cc[nH+]c(NC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)c1 ZINC000680253993 544977731 /nfs/dbraw/zinc/97/77/31/544977731.db2.gz MKUGCQOXOOMKMD-AWEZNQCLSA-N 2 0 316.449 2.741 20 0 DFADRP CCC[C@@H]([NH2+]CC(C)(C)N1CC[NH+](C)CC1)c1cccnc1 ZINC000680459884 545008256 /nfs/dbraw/zinc/00/82/56/545008256.db2.gz AEPSPEVDFGTWIB-QGZVFWFLSA-N 2 0 304.482 2.538 20 0 DFADRP Cc1cc(N2CC[N@H+](CCO)C(C)(C)C2)c2cc(F)ccc2[nH+]1 ZINC000302541899 230290127 /nfs/dbraw/zinc/29/01/27/230290127.db2.gz NZCFROBFNLMBNA-UHFFFAOYSA-N 2 0 317.408 2.575 20 0 DFADRP Cc1cc(N2CCN(CC[N@@H+](C)Cc3ccccc3)CC2)cc[nH+]1 ZINC000302558555 230295245 /nfs/dbraw/zinc/29/52/45/230295245.db2.gz KRRKVVUDZYSFAR-UHFFFAOYSA-N 2 0 324.472 2.644 20 0 DFADRP C[C@@H]1C[NH+](CCCC[NH2+]Cc2cc(F)ccc2F)C[C@@H](C)O1 ZINC000067452671 425910889 /nfs/dbraw/zinc/91/08/89/425910889.db2.gz PUORNFMCLZJNGV-ZIAGYGMSSA-N 2 0 312.404 2.944 20 0 DFADRP CC[NH+]1CCN([C@H](C)C[NH2+][C@@H](C)c2ccc(OC)cc2F)CC1 ZINC000155578594 425921552 /nfs/dbraw/zinc/92/15/52/425921552.db2.gz HHOCTJWDZYZDKL-CABCVRRESA-N 2 0 323.456 2.511 20 0 DFADRP CC[NH+]1CCN([C@H](C)C[NH2+][C@H](C)c2cccc(C)c2C)CC1 ZINC000155593542 425922086 /nfs/dbraw/zinc/92/20/86/425922086.db2.gz YLJQTPNOGOPDOY-SJLPKXTDSA-N 2 0 303.494 2.980 20 0 DFADRP C[C@@H]([NH2+]CC1CC[NH+](CCN(C)C)CC1)c1ccc(F)cc1 ZINC000124506328 425923355 /nfs/dbraw/zinc/92/33/55/425923355.db2.gz MZXMXIGBLGTSEN-OAHLLOKOSA-N 2 0 307.457 2.750 20 0 DFADRP CC[NH+]1CCN([C@@H](C)C[NH2+][C@H](C)c2cc3c(s2)CCC3)CC1 ZINC000155660276 425923619 /nfs/dbraw/zinc/92/36/19/425923619.db2.gz CDAPATUMPKPXDP-LSDHHAIUSA-N 2 0 321.534 2.913 20 0 DFADRP Cc1cccc([C@H](C)[NH2+]CC2CC[NH+](CCN(C)C)CC2)c1 ZINC000124528636 425924230 /nfs/dbraw/zinc/92/42/30/425924230.db2.gz NOMUOGBCUPKKBE-KRWDZBQOSA-N 2 0 303.494 2.919 20 0 DFADRP CC(C)c1nc([C@@H](C)[NH2+]C[C@H](C)CN2CC[NH+](C)CC2)cs1 ZINC000186318459 267813775 /nfs/dbraw/zinc/81/37/75/267813775.db2.gz RGAXRWUGNVZGGI-LSDHHAIUSA-N 2 0 324.538 2.801 20 0 DFADRP CC(C)[C@@H](Cc1ccccc1)[NH2+]CC1CC[NH+](CCO)CC1 ZINC000187175137 267847243 /nfs/dbraw/zinc/84/72/43/267847243.db2.gz UQTHUNWRABAXEN-LJQANCHMSA-N 2 0 304.478 2.548 20 0 DFADRP COC[C@H]([NH2+]CCCC[N@@H+]1CCC[C@H](C)C1)C1CCOCC1 ZINC000187778028 267874970 /nfs/dbraw/zinc/87/49/70/267874970.db2.gz NSKWVSUFFFWJOJ-WMZOPIPTSA-N 2 0 312.498 2.530 20 0 DFADRP Cc1cccc(C[C@@H](CO)[NH2+]C2CC[NH+](C(C)(C)C)CC2)c1 ZINC000191604896 268006699 /nfs/dbraw/zinc/00/66/99/268006699.db2.gz KDYDJHWQVIFKQV-SFHVURJKSA-N 2 0 304.478 2.751 20 0 DFADRP CCSCC[C@H](C)[N@H+](C)CCCN1CC[NH+](C(C)C)CC1 ZINC000192771569 268048057 /nfs/dbraw/zinc/04/80/57/268048057.db2.gz HFNJLQHHOUROOD-KRWDZBQOSA-N 2 0 315.571 2.866 20 0 DFADRP CC[C@@H]([NH2+]CCCN1CC[NH+](C(C)C)CC1)c1nc(C)cs1 ZINC000192795397 268050020 /nfs/dbraw/zinc/05/00/20/268050020.db2.gz LKCQJMJKSNLEFB-MRXNPFEDSA-N 2 0 324.538 2.908 20 0 DFADRP OC[C@H]1CCC[N@@H+]1CCCC[NH2+][C@H]1CCCNc2ccccc21 ZINC000192851040 268051971 /nfs/dbraw/zinc/05/19/71/268051971.db2.gz OOTONAPVHLGERK-APWZRJJASA-N 2 0 317.477 2.760 20 0 DFADRP C[C@@H](CC[NH2+]CCN1CCC([NH+](C)C)CC1)c1ccccc1 ZINC000194566377 268107815 /nfs/dbraw/zinc/10/78/15/268107815.db2.gz VREAENYBRUOZRJ-KRWDZBQOSA-N 2 0 303.494 2.796 20 0 DFADRP CC[NH+](CC)Cc1cccc(CNC(=O)C2(C[NH3+])CCCC2)c1 ZINC000236922060 268153252 /nfs/dbraw/zinc/15/32/52/268153252.db2.gz PWHFMWCXBLSWIL-UHFFFAOYSA-N 2 0 317.477 2.664 20 0 DFADRP C[NH2+]CC1CCN(C(=O)c2ccc(Nc3cc[nH+]cc3)cc2)CC1 ZINC000237082963 268153736 /nfs/dbraw/zinc/15/37/36/268153736.db2.gz MATIIFAIJVWVCQ-UHFFFAOYSA-N 2 0 324.428 2.897 20 0 DFADRP COC(=O)c1cccc(C[NH+]2CCC(C[NH+]3CCCC3)CC2)c1 ZINC000047968444 425872376 /nfs/dbraw/zinc/87/23/76/425872376.db2.gz ACBMUUJSRCRDLS-UHFFFAOYSA-N 2 0 316.445 2.781 20 0 DFADRP C[N@@H+](CCc1ccc(Br)cc1)CC[C@@H]1CC[NH2+]C1 ZINC000258861279 268168598 /nfs/dbraw/zinc/16/85/98/268168598.db2.gz ABYXBQIITMDLSC-AWEZNQCLSA-N 2 0 311.267 2.923 20 0 DFADRP C[N@@H+]1CCC[C@@H]1CCN1C[C@@H](O)C[C@H]1c1cc(F)ccc1F ZINC000270992256 268245071 /nfs/dbraw/zinc/24/50/71/268245071.db2.gz IKXMRFRDRKWFRP-KEYYUXOJSA-N 2 0 310.388 2.557 20 0 DFADRP O[C@@H]1CCC[C@@H]1[NH+]1CCC([NH2+]Cc2ccc3occc3c2)CC1 ZINC000286608731 268274580 /nfs/dbraw/zinc/27/45/80/268274580.db2.gz RLRQXQXQNOGEJX-ZWKOTPCHSA-N 2 0 314.429 2.900 20 0 DFADRP CC(C)CNC(=O)[C@@H](C)[NH+]1CCC(C[NH+]2CCCCCC2)CC1 ZINC000048564407 425875910 /nfs/dbraw/zinc/87/59/10/425875910.db2.gz FZSLEEXODYVROW-QGZVFWFLSA-N 2 0 323.525 2.735 20 0 DFADRP CCN(CCC[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1)C(=O)OC(C)(C)C ZINC000300201183 268320924 /nfs/dbraw/zinc/32/09/24/268320924.db2.gz PESMTACBVNMYJK-CABCVRRESA-N 2 0 313.486 2.706 20 0 DFADRP C[C@H](c1ccc(C(F)(F)F)cc1)N1CCCO[C@H](C[NH3+])C1 ZINC000313337736 268339458 /nfs/dbraw/zinc/33/94/58/268339458.db2.gz JSAPJTSAZXDWBC-BXUZGUMPSA-N 2 0 302.340 2.816 20 0 DFADRP C[C@@H](c1ccc(OC(F)(F)F)cc1)N1CCCO[C@@H](C[NH3+])C1 ZINC000313361456 268339820 /nfs/dbraw/zinc/33/98/20/268339820.db2.gz UJMMYTGJPKKXMB-FZMZJTMJSA-N 2 0 318.339 2.696 20 0 DFADRP Fc1cccc(-c2nc(C[N@H+]3CC[C@H]4C[NH2+]C[C@H]4CC3)co2)c1 ZINC000323936077 268350131 /nfs/dbraw/zinc/35/01/31/268350131.db2.gz ZAUONXFWVWZZMP-GASCZTMLSA-N 2 0 315.392 2.912 20 0 DFADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]C[C@@H](c1ccc(F)cc1)N(C)C ZINC000124807428 425939094 /nfs/dbraw/zinc/93/90/94/425939094.db2.gz VAOZAMPYGWQFCR-DTDBQYNISA-N 2 0 307.457 2.747 20 0 DFADRP CC[NH+](CC)Cc1ccccc1C[NH2+][C@H](C)C(=O)NC(C)(C)C ZINC000071124191 425982408 /nfs/dbraw/zinc/98/24/08/425982408.db2.gz ZEZMCBGHFYARTR-OAHLLOKOSA-N 2 0 319.493 2.921 20 0 DFADRP CC[NH+]1CCN([C@H]2CC[N@H+](Cc3c(C)cc(C)cc3C)C2)CC1 ZINC000107368214 425989359 /nfs/dbraw/zinc/98/93/59/425989359.db2.gz IQUJDBRHBPGLGU-IBGZPJMESA-N 2 0 315.505 2.824 20 0 DFADRP CC[NH+]1CCN([C@@H]2CC[N@H+](Cc3c(C)cc(C)cc3C)C2)CC1 ZINC000107368213 425989630 /nfs/dbraw/zinc/98/96/30/425989630.db2.gz IQUJDBRHBPGLGU-LJQANCHMSA-N 2 0 315.505 2.824 20 0 DFADRP C[C@@H]1C[C@H]([NH2+]CCOCC[NH+](C)C)c2ccsc2S1 ZINC000336806183 268434853 /nfs/dbraw/zinc/43/48/53/268434853.db2.gz KEWXUGRDASNXCO-YPMHNXCESA-N 2 0 300.493 2.841 20 0 DFADRP C1C[C@@H]2C[C@@H]([NH2+][C@@H]3CCOC4(CCSCC4)C3)CC[N@@H+]2C1 ZINC000158071108 425940453 /nfs/dbraw/zinc/94/04/53/425940453.db2.gz HTSVJADNNBVBQV-ARFHVFGLSA-N 2 0 310.507 2.648 20 0 DFADRP C[NH+]1CCN(c2ncccc2C[NH2+][C@H]2CCc3ccccc32)CC1 ZINC000158454282 425942297 /nfs/dbraw/zinc/94/22/97/425942297.db2.gz OFZSXBVSCSFRKW-IBGZPJMESA-N 2 0 322.456 2.611 20 0 DFADRP C[C@@H](C(=O)NC1CC1)[NH+]1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000159032252 425952409 /nfs/dbraw/zinc/95/24/09/425952409.db2.gz OVFURNXWNKZGNE-CVEARBPZSA-N 2 0 321.509 2.630 20 0 DFADRP CC[N@H+](Cc1ccc(C(=O)NCC(C)(C)[NH+](C)C)cc1)C(C)C ZINC000159080584 425954004 /nfs/dbraw/zinc/95/40/04/425954004.db2.gz YEEYKNCFFOJKIT-UHFFFAOYSA-N 2 0 319.493 2.987 20 0 DFADRP CC[C@H](C)[C@@H](C)[N@H+](CC(=O)NC1CC[NH+](C2CC2)CC1)C1CC1 ZINC000104966852 425967171 /nfs/dbraw/zinc/96/71/71/425967171.db2.gz VGWBHPJHWUPICO-LSDHHAIUSA-N 2 0 321.509 2.628 20 0 DFADRP C[C@@H]([NH2+]CCC[NH+](C)C)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000105782774 425968557 /nfs/dbraw/zinc/96/85/57/425968557.db2.gz VNFXWDGFQXMTKM-HUUCEWRRSA-N 2 0 313.486 2.563 20 0 DFADRP C[C@H]([NH3+])[C@H]1CCC[N@H+](CCC(=O)Nc2ccccc2Cl)C1 ZINC000070174123 425968979 /nfs/dbraw/zinc/96/89/79/425968979.db2.gz GMBUBVOVNHVZNV-STQMWFEESA-N 2 0 309.841 2.728 20 0 DFADRP [NH3+]CC[C@@H]1CCC[N@H+](Cc2csc(-c3ccccn3)n2)C1 ZINC000070170490 425969038 /nfs/dbraw/zinc/96/90/38/425969038.db2.gz HOYUFEFVPGXTHV-ZDUSSCGKSA-N 2 0 302.447 2.766 20 0 DFADRP O[C@H](C[NH2+][C@H]1CCC[C@H](c2cccnc2)C1)C[NH+]1CCCCC1 ZINC000337330026 268477428 /nfs/dbraw/zinc/47/74/28/268477428.db2.gz GCAIVMJUYCWMPF-YTQUADARSA-N 2 0 317.477 2.544 20 0 DFADRP COC[C@H]([NH2+]CC1CC[NH+](Cc2cccs2)CC1)C1CC1 ZINC000125543800 425978392 /nfs/dbraw/zinc/97/83/92/425978392.db2.gz OBXHGLUJWMWOQK-KRWDZBQOSA-N 2 0 308.491 2.975 20 0 DFADRP COCC[C@H](C)[NH2+][C@H](C)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000126752124 426034925 /nfs/dbraw/zinc/03/49/25/426034925.db2.gz WWYFROKVYYUIJR-LSDHHAIUSA-N 2 0 323.456 2.653 20 0 DFADRP CC[C@@H]([NH2+]Cc1ccc(CN2CC[NH+](C)CC2)cc1)C1CC1 ZINC000126742800 426034951 /nfs/dbraw/zinc/03/49/51/426034951.db2.gz FYYQKQONPVAQDA-LJQANCHMSA-N 2 0 301.478 2.712 20 0 DFADRP C[C@@H](c1ccccc1)[NH+]1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000111230879 426039465 /nfs/dbraw/zinc/03/94/65/426039465.db2.gz WLZHCYOLPNTTRK-HKUYNNGSSA-N 2 0 301.478 2.850 20 0 DFADRP CCC[C@H](C(=O)NC[C@H](c1ccc(C)o1)[NH+]1CCCC1)[NH+](C)C ZINC000161910607 426044784 /nfs/dbraw/zinc/04/47/84/426044784.db2.gz FQLTWHXOQHYVPL-HZPDHXFCSA-N 2 0 321.465 2.571 20 0 DFADRP CC[N@@H+]1CC[C@@H]([NH2+]Cc2ccc(NCCOC)cc2)[C@H](C)C1 ZINC000127060480 426049642 /nfs/dbraw/zinc/04/96/42/426049642.db2.gz JRVZFCZSEWIVFF-CRAIPNDOSA-N 2 0 305.466 2.565 20 0 DFADRP C[C@H](C(=O)Nc1ccc(CC[NH+](C)C)cc1)[NH+]1CCCCCC1 ZINC000074564914 426054623 /nfs/dbraw/zinc/05/46/23/426054623.db2.gz WMCHWTDLJIDQBO-MRXNPFEDSA-N 2 0 317.477 2.994 20 0 DFADRP C[N@@H+]1CCC[C@@H]1CC[NH+]1CCC(OC[C@@H]2CCCCO2)CC1 ZINC000162181417 426055416 /nfs/dbraw/zinc/05/54/16/426055416.db2.gz GGERRKVELQDFOZ-AEFFLSMTSA-N 2 0 310.482 2.521 20 0 DFADRP Cc1ccc(Cl)cc1N1CC[NH+](CC2CC[NH2+]CC2)CC1 ZINC000111824757 426058953 /nfs/dbraw/zinc/05/89/53/426058953.db2.gz QJKHXSORDBEICO-UHFFFAOYSA-N 2 0 307.869 2.770 20 0 DFADRP C[C@@H](C[NH2+][C@@H](C)C(C)(C)c1ccccc1)N1CC[NH+](C)CC1 ZINC000127345328 426062769 /nfs/dbraw/zinc/06/27/69/426062769.db2.gz PFCGKSMPXRMNBU-IRXDYDNUSA-N 2 0 303.494 2.578 20 0 DFADRP C[C@H](C[NH2+][C@@H](C)c1ccc(Cl)s1)N1CC[NH+](C)CC1 ZINC000127418793 426065596 /nfs/dbraw/zinc/06/55/96/426065596.db2.gz HVOZUIMGZHBMKB-NEPJUHHUSA-N 2 0 301.887 2.688 20 0 DFADRP C[NH+]1CCN(CCC[NH2+][C@H]2CC(C)(C)Cc3occc32)CC1 ZINC000162508905 426067900 /nfs/dbraw/zinc/06/79/00/426067900.db2.gz HXYZUFINVHAEDX-INIZCTEOSA-N 2 0 305.466 2.520 20 0 DFADRP CC[C@@H]([NH2+]Cc1cccc(OCC[NH+](C)C)c1)[C@@H]1CCOC1 ZINC000162581185 426069872 /nfs/dbraw/zinc/06/98/72/426069872.db2.gz RDUROMDMZXOFEO-SJLPKXTDSA-N 2 0 306.450 2.532 20 0 DFADRP CC[N@H+](CC(=O)Nc1ccc(-n2ccnc2)c(Cl)c1)C1CC1 ZINC000126241093 426011160 /nfs/dbraw/zinc/01/11/60/426011160.db2.gz VYPXAWFWEZZYGP-UHFFFAOYSA-N 2 0 318.808 2.949 20 0 DFADRP C[N@@H+](CCC(=O)Nc1ccc(F)cc1)CC[C@H]1CCCC[NH+]1C ZINC000075860698 426088350 /nfs/dbraw/zinc/08/83/50/426088350.db2.gz XLODDOMUMLDTFT-QGZVFWFLSA-N 2 0 321.440 2.961 20 0 DFADRP C[N@@H+](CCC(=O)Nc1ccccc1F)CC[C@H]1CCCC[NH+]1C ZINC000075860160 426088859 /nfs/dbraw/zinc/08/88/59/426088859.db2.gz RWTYBCVBOUTJHF-OAHLLOKOSA-N 2 0 321.440 2.961 20 0 DFADRP C[C@H]1CCC[C@@H]([NH+]2CCC([NH2+]CCc3cnn(C)c3)CC2)C1 ZINC000127858587 426090173 /nfs/dbraw/zinc/09/01/73/426090173.db2.gz PCRVICWZHWGNEA-MAUKXSAKSA-N 2 0 304.482 2.595 20 0 DFADRP COc1cc(OC)cc([C@H]2CC[N@H+](CC[C@@H]3CCC[NH+]3C)C2)c1 ZINC000163237525 426093401 /nfs/dbraw/zinc/09/34/01/426093401.db2.gz AFKLBBUEGZNNHL-RDJZCZTQSA-N 2 0 318.461 2.977 20 0 DFADRP Cc1cc(C)cc([C@@H](C)[NH2+]CCC[N@@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000127945213 426094616 /nfs/dbraw/zinc/09/46/16/426094616.db2.gz AVSNHEQSLUZTDZ-SJORKVTESA-N 2 0 317.477 2.541 20 0 DFADRP C[C@H]([NH2+]CCC[N@@H+]1CCC[C@H](C(N)=O)C1)[C@@H](C)C1CCCCC1 ZINC000128066225 426099593 /nfs/dbraw/zinc/09/95/93/426099593.db2.gz GVSUZWVDCIBOKA-RYRKJORJSA-N 2 0 323.525 2.768 20 0 DFADRP Cc1cccc(NC[C@@H]2CC[N@H+](CCC[NH+]3CCCC3)C2)n1 ZINC000163462496 426099802 /nfs/dbraw/zinc/09/98/02/426099802.db2.gz RKJVGAWDHWTAIZ-KRWDZBQOSA-N 3 0 302.466 2.610 20 0 DFADRP CC(C)(C)c1csc([C@H]2CN(CCn3ccnc3)CCO2)n1 ZINC000163454410 426100111 /nfs/dbraw/zinc/10/01/11/426100111.db2.gz ZEPKRAAWNGQERH-CYBMUJFWSA-N 2 0 320.462 2.711 20 0 DFADRP Cc1nccn1CCC[N@@H+]1CC[C@@H](CNc2cccc(C)n2)C1 ZINC000163461410 426100457 /nfs/dbraw/zinc/10/04/57/426100457.db2.gz XRTAKXWBDZGJEQ-KRWDZBQOSA-N 2 0 313.449 2.719 20 0 DFADRP C[C@@H]1C[C@@H]([NH2+]CC(C)(C)NC(=O)OC(C)(C)C)CN1C1CC1 ZINC000164099605 426111994 /nfs/dbraw/zinc/11/19/94/426111994.db2.gz YXYBEJDCWQNWPJ-CHWSQXEVSA-N 2 0 311.470 2.505 20 0 DFADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@H](O)c2cccc(OC(C)C)c2)[C@H](C)C1 ZINC000128317978 426112240 /nfs/dbraw/zinc/11/22/40/426112240.db2.gz JMQXFMFBDIECCF-MNEFBYGVSA-N 2 0 320.477 2.827 20 0 DFADRP CN(C)CC[NH+]1CCC(C[NH2+][C@@H]2CCC[C@@H]2CCCF)CC1 ZINC000337990642 268593363 /nfs/dbraw/zinc/59/33/63/268593363.db2.gz DMMFGHSDWMXTDX-QZTJIDSGSA-N 2 0 313.505 2.768 20 0 DFADRP COCCC[NH+]1CCC([NH2+][C@@H]2CCC[C@H]2CCCF)CC1 ZINC000338003420 268597433 /nfs/dbraw/zinc/59/74/33/268597433.db2.gz WIVHSYDZVUPEHW-DOTOQJQBSA-N 2 0 300.462 2.995 20 0 DFADRP CC(C)[C@@H]([NH3+])CC[N@H+](C)CCC(=O)Nc1cccc(Cl)c1 ZINC000128492408 426119920 /nfs/dbraw/zinc/11/99/20/426119920.db2.gz AXINEVPDXFTGHI-HNNXBMFYSA-N 2 0 311.857 2.974 20 0 DFADRP C[C@H](C[NH2+][C@H](C)c1ccc(-n2cncn2)cc1)C[NH+]1CCCC1 ZINC000165334863 426121961 /nfs/dbraw/zinc/12/19/61/426121961.db2.gz AAMNFSJJSVUFTK-HZPDHXFCSA-N 2 0 313.449 2.650 20 0 DFADRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@H](C)c1cccc(NC(C)=O)c1 ZINC000165926664 426124151 /nfs/dbraw/zinc/12/41/51/426124151.db2.gz JUYWWLCILRWDAA-RDTXWAMCSA-N 2 0 321.465 2.652 20 0 DFADRP CC(C)C[C@H]([NH3+])C(=O)NCc1cccc(C[N@H+](C)C(C)C)c1 ZINC000165996091 426125326 /nfs/dbraw/zinc/12/53/26/426125326.db2.gz NIHPARXKHBWQLZ-KRWDZBQOSA-N 2 0 305.466 2.516 20 0 DFADRP CC(C)[N@@H+]1CCC[C@@H](CNC(=O)[C@@H](C)[C@H]([NH3+])c2ccccc2)C1 ZINC000166352505 426126868 /nfs/dbraw/zinc/12/68/68/426126868.db2.gz PJKHYMALLWUQMU-BQFCYCMXSA-N 2 0 317.477 2.559 20 0 DFADRP CCc1ccc([C@@H](C)[NH2+]CCCN2CCC[N@H+](C)CC2)s1 ZINC000128663323 426128429 /nfs/dbraw/zinc/12/84/29/426128429.db2.gz KRZIGDDYMRTNMR-OAHLLOKOSA-N 2 0 309.523 2.989 20 0 DFADRP Cc1ccc2c(c1)[C@H]([NH2+]CCCN1CCC[N@@H+](C)CC1)CCC2 ZINC000166509839 426129174 /nfs/dbraw/zinc/12/91/74/426129174.db2.gz JMHWVSWYLGPSKJ-HXUWFJFHSA-N 2 0 315.505 2.990 20 0 DFADRP C[C@@H](CN(C)C)[NH2+][C@@H]1CCc2cc(Br)ccc2C1 ZINC000168588176 426135413 /nfs/dbraw/zinc/13/54/13/426135413.db2.gz DZTXZMOSDXWHNM-XHDPSFHLSA-N 2 0 311.267 2.846 20 0 DFADRP CC[C@@H]([NH2+]C[C@H](C)N1CC[NH+](C)CC1)c1ccc(F)cc1F ZINC000127591088 426074725 /nfs/dbraw/zinc/07/47/25/426074725.db2.gz VJMYPYHWSLOCNF-SUMWQHHRSA-N 2 0 311.420 2.641 20 0 DFADRP Cc1nccn1CCC[N@H+](Cc1ccccc1)[C@H](CO)C1CC1 ZINC000127613988 426076990 /nfs/dbraw/zinc/07/69/90/426076990.db2.gz NZWHGUVCTLHUNO-LJQANCHMSA-N 2 0 313.445 2.855 20 0 DFADRP C[N@@H+]1CCC[C@H]2C[NH+](CCC(=O)Nc3ccc(F)cc3)CC[C@@H]21 ZINC000162790150 426077196 /nfs/dbraw/zinc/07/71/96/426077196.db2.gz KLTNDJSITCTUPZ-YOEHRIQHSA-N 2 0 319.424 2.570 20 0 DFADRP CC(C)[C@@H](CCc1ccccc1)[NH2+]C[C@@H](C)N1CC[NH+](C)CC1 ZINC000127707264 426080856 /nfs/dbraw/zinc/08/08/56/426080856.db2.gz ZZFVUMPUMWCPSQ-UYAOXDASSA-N 2 0 317.521 2.869 20 0 DFADRP C[C@H]1C[C@@H]([NH2+]Cc2ccc(C[NH+]3CCCC3)cc2)CC[N@@H+]1C ZINC000162901785 426082519 /nfs/dbraw/zinc/08/25/19/426082519.db2.gz ABIDSZQDBUIYMX-LPHOPBHVSA-N 3 0 301.478 2.855 20 0 DFADRP C[C@@H]1C[C@H]([NH2+]Cc2ccc(C[NH+]3CCCC3)cc2)CC[N@@H+]1C ZINC000162901421 426082555 /nfs/dbraw/zinc/08/25/55/426082555.db2.gz ABIDSZQDBUIYMX-VQIMIIECSA-N 3 0 301.478 2.855 20 0 DFADRP CCOC(=O)CCCCC[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000075835540 426085997 /nfs/dbraw/zinc/08/59/97/426085997.db2.gz BKZXZOHWWANQGB-KRWDZBQOSA-N 2 0 310.482 2.918 20 0 DFADRP C[C@@H]1C[C@@H]([NH3+])CC[N@@H+]1CCOc1cccc(Br)c1 ZINC000131890904 426167185 /nfs/dbraw/zinc/16/71/85/426167185.db2.gz RJDULYZQLAYLKZ-YPMHNXCESA-N 2 0 313.239 2.640 20 0 DFADRP CC[C@@]1(C(=O)NC[C@H](c2cccs2)[NH+]2CCCC2)CCC[NH2+]1 ZINC000134554094 426187182 /nfs/dbraw/zinc/18/71/82/426187182.db2.gz NTAXGCWTAUBIPH-PBHICJAKSA-N 2 0 321.490 2.533 20 0 DFADRP CC(C)[NH+]1CCC(C(=O)NC[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC000080976973 426218497 /nfs/dbraw/zinc/21/84/97/426218497.db2.gz YBSNDEAYHCJJFD-GOSISDBHSA-N 2 0 317.477 2.526 20 0 DFADRP CSC[C@@](C)(O)C[NH2+][C@@H]1C[C@@H](C)CN(Cc2ccccc2)C1 ZINC000136450667 426241420 /nfs/dbraw/zinc/24/14/20/426241420.db2.gz MDRUIEIPIURSQI-NXHRZFHOSA-N 2 0 322.518 2.601 20 0 DFADRP C[N@H+](CCC(=O)Nc1cccc(Cl)c1)C[C@@H]1CCC[NH+](C)C1 ZINC000118841816 426248438 /nfs/dbraw/zinc/24/84/38/426248438.db2.gz APPHUGFOWZZFPS-CQSZACIVSA-N 2 0 323.868 2.942 20 0 DFADRP CCC[N@H+](CC)CCNC(=O)[C@@H](c1ccccc1)[NH+](C)CC ZINC000174642956 426261267 /nfs/dbraw/zinc/26/12/67/426261267.db2.gz RBICWMPZGPFPQS-QGZVFWFLSA-N 2 0 305.466 2.528 20 0 DFADRP C/C(=C\c1ccc(Cl)cc1)C[NH2+]C[C@H](C)N1CC[NH+](C)CC1 ZINC000119088598 426261999 /nfs/dbraw/zinc/26/19/99/426261999.db2.gz NAHGPFCBTHWFRL-STTHAQSSSA-N 2 0 321.896 2.969 20 0 DFADRP CC(C)N(C(=O)CN1CC[C@H](C[NH+]2CCCC2)C1)C1CCCC1 ZINC000150833136 426262878 /nfs/dbraw/zinc/26/28/78/426262878.db2.gz QKEYLQAOUSHUJB-QGZVFWFLSA-N 2 0 321.509 2.584 20 0 DFADRP CC(C)N(C(=O)CN1CC[C@@H](C[NH+]2CCCC2)C1)C1CCCC1 ZINC000150833178 426263261 /nfs/dbraw/zinc/26/32/61/426263261.db2.gz QKEYLQAOUSHUJB-KRWDZBQOSA-N 2 0 321.509 2.584 20 0 DFADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1NC[C@@H]1CCC[NH+]1Cc1ccccc1 ZINC000119113459 426263488 /nfs/dbraw/zinc/26/34/88/426263488.db2.gz JVPHIVISLZFTGN-IZBJGVDFSA-N 2 0 315.505 2.969 20 0 DFADRP C[N@H+](CCC[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C1(C)C)Cc1ccccc1 ZINC000151731438 426309580 /nfs/dbraw/zinc/30/95/80/426309580.db2.gz MRYDUGFUWCUMGJ-KSZLIROESA-N 2 0 302.462 2.912 20 0 DFADRP CN1CCC[C@@H]1C[NH2+]Cc1c[nH]nc1-c1cccc(Cl)c1 ZINC000151719715 426309945 /nfs/dbraw/zinc/30/99/45/426309945.db2.gz DALJOFDQFFHSFW-OAHLLOKOSA-N 2 0 304.825 2.914 20 0 DFADRP C[C@@H]([NH2+]CC1CC[NH+](CCO)CC1)c1ccc2c(c1)CCCC2 ZINC000151870886 426317016 /nfs/dbraw/zinc/31/70/16/426317016.db2.gz OEJPHCPAMMNNKZ-MRXNPFEDSA-N 2 0 316.489 2.920 20 0 DFADRP C[C@H]([NH2+]CC1CC[NH+](C)CC1)c1ccc2c(c1)OCCCO2 ZINC000121191044 426322775 /nfs/dbraw/zinc/32/27/75/426322775.db2.gz ZTBDAEIRPNBCPO-AWEZNQCLSA-N 2 0 304.434 2.840 20 0 DFADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]Cc1ccc(Cn2ccnc2)cc1 ZINC000152104488 426326599 /nfs/dbraw/zinc/32/65/99/426326599.db2.gz TUFONLWTNSNCRV-MDZRGWNJSA-N 2 0 312.461 2.750 20 0 DFADRP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@H](C)c2sccc2C)CC1 ZINC000121230765 426326966 /nfs/dbraw/zinc/32/69/66/426326966.db2.gz JZKVZYUSNRKZAA-GDBMZVCRSA-N 2 0 309.523 2.981 20 0 DFADRP C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1N[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000152286018 426336328 /nfs/dbraw/zinc/33/63/28/426336328.db2.gz YVZJAPUXWUBQST-OGWHTMIXSA-N 2 0 301.478 2.579 20 0 DFADRP [NH3+]C[C@@H]1CCC[C@H]1[NH2+]Cc1cc(Br)ccc1F ZINC000089150339 426280935 /nfs/dbraw/zinc/28/09/35/426280935.db2.gz RZJIGZXORBPKJZ-TVQRCGJNSA-N 2 0 301.203 2.805 20 0 DFADRP CC(C)N1CC[C@@H](N2CCC[C@H](C[NH+]3CCCCCC3)C2)C1=O ZINC000175174033 426285113 /nfs/dbraw/zinc/28/51/13/426285113.db2.gz QGPDNRBZUHEKDJ-QZTJIDSGSA-N 2 0 321.509 2.584 20 0 DFADRP COC(=O)[C@H](C)C[N@H+](Cc1ccc(-n2ccnc2)cc1)C1CC1 ZINC000153742613 426402852 /nfs/dbraw/zinc/40/28/52/426402852.db2.gz DPAFSEAFAXFJJT-CQSZACIVSA-N 2 0 313.401 2.646 20 0 DFADRP CCC[C@@H](CCO)C[NH2+][C@H]1CCN(Cc2ccccn2)C[C@@H]1C ZINC000152521484 426345755 /nfs/dbraw/zinc/34/57/55/426345755.db2.gz DQWWFUWHVSXVAI-LNLFQRSKSA-N 2 0 319.493 2.680 20 0 DFADRP C[C@H]1CCCC[N@@H+]1CCC1CC[NH+](C[C@H](O)C(F)(F)F)CC1 ZINC000121496540 426346873 /nfs/dbraw/zinc/34/68/73/426346873.db2.gz FXSUCOZYZWFAEA-ZFWWWQNUSA-N 2 0 322.415 2.886 20 0 DFADRP CC[N@H+](C)[C@@H](C(=O)N[C@@H](CC(C)C)C[NH+](C)C)c1ccccc1 ZINC000152564787 426347112 /nfs/dbraw/zinc/34/71/12/426347112.db2.gz VLUVVYSMZUSMLK-ZWKOTPCHSA-N 2 0 319.493 2.772 20 0 DFADRP CC[N@H+](CC(=O)N1CCC[C@@H](C[NH+]2CCCC[C@@H]2C)C1)C1CC1 ZINC000152615971 426347800 /nfs/dbraw/zinc/34/78/00/426347800.db2.gz KPCRVDUKTQBQRE-IRXDYDNUSA-N 2 0 321.509 2.584 20 0 DFADRP C[C@@H]([NH2+][C@@H](C)c1cccc(OCC[NH+](C)C)c1)[C@@H]1CCCO1 ZINC000152872106 426358382 /nfs/dbraw/zinc/35/83/82/426358382.db2.gz ODWZVIGGCGQRSF-DAYGRLMNSA-N 2 0 306.450 2.845 20 0 DFADRP COCC[N@H+](C)CCCC1CC[NH+](Cc2ccncc2)CC1 ZINC000122176710 426362418 /nfs/dbraw/zinc/36/24/18/426362418.db2.gz REARCJWRONRCLL-UHFFFAOYSA-N 2 0 305.466 2.652 20 0 DFADRP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCCN(Cc3ccccc3)C2)CCN1C ZINC000152980788 426364952 /nfs/dbraw/zinc/36/49/52/426364952.db2.gz ZDKZPBXPJSNYQR-NZSAHSFTSA-N 2 0 301.478 2.723 20 0 DFADRP CC[N@@H+]1CCC[C@H]1CN(C)C(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000176291335 426368096 /nfs/dbraw/zinc/36/80/96/426368096.db2.gz NLFJCPKMBOPZTP-KRWDZBQOSA-N 2 0 318.465 2.696 20 0 DFADRP C[C@@H](C[NH2+][C@@H](C)c1ccc2c(c1)CCC2)CN1CCOCC1 ZINC000153167836 426373377 /nfs/dbraw/zinc/37/33/77/426373377.db2.gz LGVMPLHDSODNHZ-HOTGVXAUSA-N 2 0 302.462 2.794 20 0 DFADRP Cc1cnc(C[NH2+][C@@H]2CCN(Cc3ccccn3)C[C@@H]2C)s1 ZINC000123021483 426409476 /nfs/dbraw/zinc/40/94/76/426409476.db2.gz HQTAVOXHWQDWAR-XJKSGUPXSA-N 2 0 316.474 2.847 20 0 DFADRP COC(C)(C)[C@@H](C)[NH2+]Cc1ccccc1C[N@@H+]1CCC[C@@H]1CO ZINC000340353133 268968586 /nfs/dbraw/zinc/96/85/86/268968586.db2.gz YUECMLOAYXJVHZ-CRAIPNDOSA-N 2 0 320.477 2.546 20 0 DFADRP C[C@H](C(=O)NC1CCCCC1)[NH+]1CCC(CCC[NH+](C)C)CC1 ZINC000123331489 426427566 /nfs/dbraw/zinc/42/75/66/426427566.db2.gz SJROYWPDJZSERG-MRXNPFEDSA-N 2 0 323.525 2.878 20 0 DFADRP C[N@H+](CCC[NH3+])CCC(=O)Nc1cc(Cl)ccc1Cl ZINC000123352437 426428372 /nfs/dbraw/zinc/42/83/72/426428372.db2.gz NSQYUXAMJRNICG-UHFFFAOYSA-N 2 0 304.221 2.603 20 0 DFADRP CC[NH+]1CCN(CCC[NH2+][C@H](C)c2cc(C)cc(C)c2)CC1 ZINC000154216836 426430250 /nfs/dbraw/zinc/43/02/50/426430250.db2.gz ABFVLCPDWXGEOL-GOSISDBHSA-N 2 0 303.494 2.982 20 0 DFADRP CC[NH+]1CCN(CCC[NH2+][C@H]2c3ccccc3C[C@@H]2C)CC1 ZINC000154258816 426432882 /nfs/dbraw/zinc/43/28/82/426432882.db2.gz NFLKWYABRCJFME-QFBILLFUSA-N 2 0 301.478 2.537 20 0 DFADRP CC[NH+](CC)Cc1ccc(C(=O)N(C)C2CC[NH+](C)CC2)cc1 ZINC000096574126 426439690 /nfs/dbraw/zinc/43/96/90/426439690.db2.gz SNMOMSBNTKWUIT-UHFFFAOYSA-N 2 0 317.477 2.695 20 0 DFADRP C[C@@H]1C[C@H]([NH2+]Cc2cc(N(C)C)nc3ccccc23)CC[N@@H+]1C ZINC000154445886 426440586 /nfs/dbraw/zinc/44/05/86/426440586.db2.gz ODDMOTGIXNMWFN-GDBMZVCRSA-N 2 0 312.461 2.873 20 0 DFADRP C[C@@H](C(=O)N1CCC(C)CC1)[NH+]1CCC(CCC[NH+](C)C)CC1 ZINC000123610388 426442310 /nfs/dbraw/zinc/44/23/10/426442310.db2.gz JKXWTZYETBZXQT-KRWDZBQOSA-N 2 0 323.525 2.687 20 0 DFADRP COc1ccc(C[C@H](C)C[N@@H+]2CC[C@@]3(CC[NH2+]C3)C2)cc1F ZINC000340698417 269001617 /nfs/dbraw/zinc/00/16/17/269001617.db2.gz OUYWQBGIXIOBOE-KBXCAEBGSA-N 2 0 306.425 2.698 20 0 DFADRP CS[C@@H]1CN(c2cc[nH+]c3cc(F)ccc32)C[C@H]1[NH+](C)C ZINC000340739632 269006212 /nfs/dbraw/zinc/00/62/12/269006212.db2.gz GYOQTQBWBYQOFL-HZPDHXFCSA-N 2 0 305.422 2.856 20 0 DFADRP C[NH+]1CCC(O)(C[NH2+]C2CC(c3cccc(Cl)c3)C2)CC1 ZINC000341261916 269054652 /nfs/dbraw/zinc/05/46/52/269054652.db2.gz AXYXQNYDACHMTN-UHFFFAOYSA-N 2 0 308.853 2.632 20 0 DFADRP C[C@H]1CCCC[N@@H+]1CCC[NH2+]C1CCN(c2ccccn2)CC1 ZINC000123753372 426451197 /nfs/dbraw/zinc/45/11/97/426451197.db2.gz WLTXRSXDCWFYQE-KRWDZBQOSA-N 3 0 316.493 2.905 20 0 DFADRP C[C@H]([NH2+]Cc1ccc(N2CC[NH+](C)CC2)nc1)C1CCCCC1 ZINC000177204702 426454319 /nfs/dbraw/zinc/45/43/19/426454319.db2.gz RWPIXQBDNIPHBB-INIZCTEOSA-N 2 0 316.493 2.892 20 0 DFADRP CC[C@@H]([NH2+][C@@H](C)CN1CC[NH+](C)CC1)c1cc(F)ccc1F ZINC000154953904 426460084 /nfs/dbraw/zinc/46/00/84/426460084.db2.gz GRXRLOQUALFXSA-SUMWQHHRSA-N 2 0 311.420 2.641 20 0 DFADRP C[C@@H]([NH2+]Cc1cccnc1N1CC[NH+](C)CC1)C1CCCCC1 ZINC000177260160 426461560 /nfs/dbraw/zinc/46/15/60/426461560.db2.gz HPQFMXDQCJVVRT-MRXNPFEDSA-N 2 0 316.493 2.892 20 0 DFADRP Cc1ccc([C@H]([NH2+]CCCN2CC[NH+](C)CC2)C2CC2)cc1 ZINC000123967415 426463697 /nfs/dbraw/zinc/46/36/97/426463697.db2.gz JERVMGWGZWGNFB-IBGZPJMESA-N 2 0 301.478 2.673 20 0 DFADRP COc1cccc([C@@H](C)[NH2+]C2CC[NH+](C[C@H]3CCOC3)CC2)c1 ZINC000177351980 426471328 /nfs/dbraw/zinc/47/13/28/426471328.db2.gz QPAMSPYIDCSVAJ-HZPDHXFCSA-N 2 0 318.461 2.847 20 0 DFADRP CN(CC[N@H+](C)CCSc1ccccc1)C1CC[NH+](C)CC1 ZINC000177376734 426473016 /nfs/dbraw/zinc/47/30/16/426473016.db2.gz RDGDNMVRCGOYNJ-UHFFFAOYSA-N 2 0 321.534 2.737 20 0 DFADRP CC(C)Oc1ccc(C[N@H+](C)CCCN2CC[NH+](C)CC2)cc1 ZINC000272370937 426509786 /nfs/dbraw/zinc/50/97/86/426509786.db2.gz ASMLRXUBRAEXRC-UHFFFAOYSA-N 2 0 319.493 2.543 20 0 DFADRP C[C@@H]([NH2+]CCCn1ccnc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272378393 426511184 /nfs/dbraw/zinc/51/11/84/426511184.db2.gz BLYZKIICOGYAQU-MJGOQNOKSA-N 2 0 312.461 2.773 20 0 DFADRP C[C@@H](CCc1cccc(F)c1)[NH2+][C@@H](C)CCN1CC[NH+](C)CC1 ZINC000186581946 426554973 /nfs/dbraw/zinc/55/49/73/426554973.db2.gz VVLGICDTHLZJJS-IRXDYDNUSA-N 2 0 321.484 2.762 20 0 DFADRP CC1(C)C[C@@H]([NH2+]CC2CC[NH+](CCO)CC2)c2ccccc21 ZINC000177880309 426535175 /nfs/dbraw/zinc/53/51/75/426535175.db2.gz UHNFCXAGICEHAX-GOSISDBHSA-N 2 0 302.462 2.703 20 0 DFADRP C[C@H]([NH2+]CC1(C)CC[NH+](C)CC1)c1ccc(-n2cncn2)cc1 ZINC000272505751 426543276 /nfs/dbraw/zinc/54/32/76/426543276.db2.gz FILSBQLBGIMAIP-HNNXBMFYSA-N 2 0 313.449 2.650 20 0 DFADRP CCN1CC[NH+]([C@H]2CCN(c3cc(C)[nH+]c4ccccc43)C2)CC1 ZINC000264419798 426549672 /nfs/dbraw/zinc/54/96/72/426549672.db2.gz QSRNCGRPJQQEQK-KRWDZBQOSA-N 2 0 324.472 2.759 20 0 DFADRP CCO[C@@H](CC[NH+](C)C)C[NH2+][C@H](C)c1sccc1OC ZINC000186189483 426492459 /nfs/dbraw/zinc/49/24/59/426492459.db2.gz NWMDERSHDXUYQS-OLZOCXBDSA-N 2 0 300.468 2.764 20 0 DFADRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@@H](C)c1sccc1OC ZINC000186189469 426492627 /nfs/dbraw/zinc/49/26/27/426492627.db2.gz NWMDERSHDXUYQS-QWHCGFSZSA-N 2 0 300.468 2.764 20 0 DFADRP Oc1cc(F)cc(C[NH+]2CCC(OCC[NH+]3CCCC3)CC2)c1 ZINC000186248617 426497593 /nfs/dbraw/zinc/49/75/93/426497593.db2.gz SWZYSLOFTUNXQD-UHFFFAOYSA-N 2 0 322.424 2.608 20 0 DFADRP CCC[NH+]1CCC(C[NH2+][C@H]2C[C@@H](OCC)C23CCOCC3)CC1 ZINC000186320006 426504307 /nfs/dbraw/zinc/50/43/07/426504307.db2.gz HPWXGIJOARWQOT-ZWKOTPCHSA-N 2 0 324.509 2.672 20 0 DFADRP CC[N@H+](Cc1ccc(C(=O)N[C@@H]2C[NH2+]CC[C@@H]2C)cc1)C(C)C ZINC000186674419 426575146 /nfs/dbraw/zinc/57/51/46/426575146.db2.gz JMGJGUQYLCQUPW-MAUKXSAKSA-N 2 0 317.477 2.645 20 0 DFADRP Cc1cc(C[N@@H+](C)CC2CC[NH+](C[C@@H](C)O)CC2)cc(C)c1O ZINC000289294777 426621063 /nfs/dbraw/zinc/62/10/63/426621063.db2.gz HMKJIKBVEMNLQJ-MRXNPFEDSA-N 2 0 320.477 2.534 20 0 DFADRP Cn1cncc1C[NH2+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000273052990 426583478 /nfs/dbraw/zinc/58/34/78/426583478.db2.gz KUXYJBBUTKCWIJ-MISYRCLQSA-N 2 0 324.472 2.810 20 0 DFADRP COC[C@@H](Cc1ccccc1)[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000178255630 426594834 /nfs/dbraw/zinc/59/48/34/426594834.db2.gz ZCUMXYAJROIEND-LJQANCHMSA-N 2 0 302.462 2.708 20 0 DFADRP CCc1ccc(CC[N@H+](C)CC2CC[NH+](C[C@H](C)O)CC2)cc1 ZINC000265216638 426598648 /nfs/dbraw/zinc/59/86/48/426598648.db2.gz NHVIRWODTHPTTN-KRWDZBQOSA-N 2 0 318.505 2.816 20 0 DFADRP Cc1nccn1C[C@H]1CCC[N@H+]1[C@@H](C)C(=O)Nc1ccccc1 ZINC000178299014 426602142 /nfs/dbraw/zinc/60/21/42/426602142.db2.gz RQAXYAMXHZWCOK-WMLDXEAASA-N 2 0 312.417 2.683 20 0 DFADRP Cc1ncc(C[NH2+]CC2([S@@](C)=O)CCC2)n1-c1ccccc1 ZINC000280630972 426618965 /nfs/dbraw/zinc/61/89/65/426618965.db2.gz MAVOFIUWIRVKAY-JOCHJYFZSA-N 2 0 317.458 2.572 20 0 DFADRP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]CCc1ccc(Br)s1 ZINC000226373051 426619451 /nfs/dbraw/zinc/61/94/51/426619451.db2.gz HPNPMGYHCOGBNM-ONGXEEELSA-N 2 0 303.269 2.770 20 0 DFADRP COCC[N@H+](C)CCC[NH2+]CC1CCC(C(F)(F)F)CC1 ZINC000186588436 426556717 /nfs/dbraw/zinc/55/67/17/426556717.db2.gz XPADCQYYGZQDHG-UHFFFAOYSA-N 2 0 310.404 2.913 20 0 DFADRP C[C@@H]([NH2+]CCNc1ccccn1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272564266 426561294 /nfs/dbraw/zinc/56/12/94/426561294.db2.gz HANSSEMDMWMTBB-MJGOQNOKSA-N 2 0 324.472 2.994 20 0 DFADRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+][C@H]1CCc2cc(Cl)ccc21 ZINC000186605440 426563250 /nfs/dbraw/zinc/56/32/50/426563250.db2.gz XTBMZDSBQHKTQN-KDOFPFPSSA-N 2 0 321.896 2.943 20 0 DFADRP CCC(C)(C)[NH2+][C@H](C)C(=O)N(CC[NH+](C)C)Cc1ccc(C)o1 ZINC000273269814 426631083 /nfs/dbraw/zinc/63/10/83/426631083.db2.gz UYZQODWYRIVPRS-OAHLLOKOSA-N 2 0 323.481 2.645 20 0 DFADRP [NH3+][C@@H]1CCC[C@@H]2CN(Cc3cn4cc(Cl)ccc4n3)C[C@H]21 ZINC000228474376 426632631 /nfs/dbraw/zinc/63/26/31/426632631.db2.gz PWGCWPHWBIVESN-KCPJHIHWSA-N 2 0 304.825 2.547 20 0 DFADRP CC(C)C(=O)Nc1ccc(C[NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)cc1 ZINC000178477931 426635945 /nfs/dbraw/zinc/63/59/45/426635945.db2.gz HJLJIAXDPDAXIR-RHSMWYFYSA-N 2 0 303.450 2.853 20 0 DFADRP C[NH+]1CCN(CCC[NH2+]Cc2cc(Cl)ccc2Cl)CC1 ZINC000229186197 426636086 /nfs/dbraw/zinc/63/60/86/426636086.db2.gz QVBDZLGBMULUHW-UHFFFAOYSA-N 2 0 316.276 2.721 20 0 DFADRP CC[N@H+](C)Cc1cccc(CNC(=O)[C@@H](C)[NH2+]C(C)(C)CC)c1 ZINC000273296190 426637061 /nfs/dbraw/zinc/63/70/61/426637061.db2.gz YYEYOSJMZQOEJH-OAHLLOKOSA-N 2 0 319.493 2.921 20 0 DFADRP COCCC[NH+]1CCC([NH2+][C@@H](C)c2ccc3c(c2)CCO3)CC1 ZINC000178485371 426639191 /nfs/dbraw/zinc/63/91/91/426639191.db2.gz ZQHNYDKIZBJAPT-HNNXBMFYSA-N 2 0 318.461 2.773 20 0 DFADRP C[N@H+](Cc1ccccc1)C1CCC([NH2+]CC2(C)OCCO2)CC1 ZINC000280714436 426641372 /nfs/dbraw/zinc/64/13/72/426641372.db2.gz BMZHNBXWBADALR-UHFFFAOYSA-N 2 0 318.461 2.782 20 0 DFADRP COc1ccc(C)cc1[C@H](C)NCCC[NH+]1CCC(O)CC1 ZINC000178521211 426645148 /nfs/dbraw/zinc/64/51/48/426645148.db2.gz YXKVBCGTTBWCLG-HNNXBMFYSA-N 2 0 306.450 2.501 20 0 DFADRP CC[C@H]1[NH2+]CC[C@@H]1C(=O)Nc1ccc(CC[NH+]2CCCC2)cc1 ZINC000289469443 426666507 /nfs/dbraw/zinc/66/65/07/426666507.db2.gz ASTRNBLGSKLLOQ-ZWKOTPCHSA-N 2 0 315.461 2.652 20 0 DFADRP C[C@H](C(=O)NCCC[NH+]1CCC(C)CC1)[C@H]([NH3+])c1ccccc1 ZINC000236701413 426677608 /nfs/dbraw/zinc/67/76/08/426677608.db2.gz JNPQVFGYQCRZIA-WMZOPIPTSA-N 2 0 317.477 2.561 20 0 DFADRP CCCC[N@H+](C)CC1CCN(C(=O)C2([NH3+])CCCCC2)CC1 ZINC000236708458 426678586 /nfs/dbraw/zinc/67/85/86/426678586.db2.gz QFHXVNRPOIBXFG-UHFFFAOYSA-N 2 0 309.498 2.619 20 0 DFADRP CCCC[NH+]1CCC(NC(=O)[C@@H](C)[C@@H]([NH3+])c2ccccc2)CC1 ZINC000236757969 426683734 /nfs/dbraw/zinc/68/37/34/426683734.db2.gz OCGWGRDSGLABOX-MAUKXSAKSA-N 2 0 317.477 2.703 20 0 DFADRP C[C@H](CC(=O)Nc1cccnc1Cl)[NH2+]CCC[NH+]1CCCC1 ZINC000178411677 426625286 /nfs/dbraw/zinc/62/52/86/426625286.db2.gz HGBIYEWCYHBBFO-CYBMUJFWSA-N 2 0 324.856 2.528 20 0 DFADRP Cn1cncc1CC[N@@H+]1CCC[C@@H]1c1nc2ccccc2n1C ZINC000290072615 426685954 /nfs/dbraw/zinc/68/59/54/426685954.db2.gz QBGYZKXYDSUGGM-QGZVFWFLSA-N 2 0 309.417 2.686 20 0 DFADRP Cc1ccc(Cl)cc1NC(=O)CN1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000227189865 426625818 /nfs/dbraw/zinc/62/58/18/426625818.db2.gz FPCMGEVUPLQVPW-QWHCGFSZSA-N 2 0 309.841 2.646 20 0 DFADRP C[C@H](O)C[NH+]1CCC(C[N@H+](C)CCSc2ccccc2)CC1 ZINC000265374640 426626312 /nfs/dbraw/zinc/62/63/12/426626312.db2.gz BGLNERNXMDKGIN-INIZCTEOSA-N 2 0 322.518 2.803 20 0 DFADRP Cc1ccc(Cl)cc1NC(=O)CN1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000227189871 426627024 /nfs/dbraw/zinc/62/70/24/426627024.db2.gz FPCMGEVUPLQVPW-STQMWFEESA-N 2 0 309.841 2.646 20 0 DFADRP C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)C2([NH3+])CCCC2)CC1 ZINC000178769243 426692036 /nfs/dbraw/zinc/69/20/36/426692036.db2.gz QUYXQFCRZWTMSF-OAHLLOKOSA-N 2 0 315.461 2.600 20 0 DFADRP C[C@@H](C(=O)N1CCN(C)Cc2ccccc21)[C@@H]([NH3+])c1ccccc1 ZINC000237585069 426694139 /nfs/dbraw/zinc/69/41/39/426694139.db2.gz RKYLLRLHTNSYCY-DNVCBOLYSA-N 2 0 323.440 2.801 20 0 DFADRP Cc1cccc(NC[C@@H]2CC[N@H+](CC3CCC(=O)CC3)C2)n1 ZINC000290142439 426701147 /nfs/dbraw/zinc/70/11/47/426701147.db2.gz VUVSZCRYBVVVLN-INIZCTEOSA-N 2 0 301.434 2.883 20 0 DFADRP CC(C)CC[NH+]1CCC(C(=O)NCCC[NH+]2CCCCC2)CC1 ZINC000179449137 426789619 /nfs/dbraw/zinc/78/96/19/426789619.db2.gz WKMIOKMTLGKOOL-UHFFFAOYSA-N 2 0 323.525 2.737 20 0 DFADRP CCC[NH+]1CCC([NH2+]C[C@@]2(O)CCC[C@@H](C(F)(F)F)C2)CC1 ZINC000188633784 426769839 /nfs/dbraw/zinc/76/98/39/426769839.db2.gz HGIFGOBLFTYWHV-UKRRQHHQSA-N 2 0 322.415 2.934 20 0 DFADRP c1ccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@@H]([NH2+]C[C@H]2CCCO2)C3)cc1 ZINC000245784362 426772125 /nfs/dbraw/zinc/77/21/25/426772125.db2.gz ZIVJNZVFJWCHRS-FCGDIQPGSA-N 2 0 300.446 2.951 20 0 DFADRP CCC[C@H](C(=O)NCc1ccccc1C[NH+]1CCCC1)[NH+](C)C ZINC000179280838 426775403 /nfs/dbraw/zinc/77/54/03/426775403.db2.gz XVTNSUMKRURLNQ-GOSISDBHSA-N 2 0 317.477 2.629 20 0 DFADRP Cc1ccc2ncc(C[N@H+]3CC[C@@H](C4CC[NH+](C)CC4)C3)n2c1 ZINC000290512600 426782047 /nfs/dbraw/zinc/78/20/47/426782047.db2.gz PPEVQHHPCOGHOM-QGZVFWFLSA-N 2 0 312.461 2.806 20 0 DFADRP CC[NH+](CC)CCCCNC(=O)[C@H](C)[N@H+](C)Cc1ccccc1 ZINC000266823359 426784693 /nfs/dbraw/zinc/78/46/93/426784693.db2.gz IZDKLLQLILMFMN-KRWDZBQOSA-N 2 0 319.493 2.745 20 0 DFADRP CC(C)[C@@H](CNc1cc[nH+]c2ccccc12)[NH+]1CCN(C)CC1 ZINC000266158473 426723137 /nfs/dbraw/zinc/72/31/37/426723137.db2.gz MOVQRXABICVUHH-LJQANCHMSA-N 2 0 312.461 2.919 20 0 DFADRP CC[C@H]([NH2+]Cc1ccc(N2CC[NH+](C)CC2)nc1)C(C)(C)C ZINC000274359515 426752769 /nfs/dbraw/zinc/75/27/69/426752769.db2.gz KOWRKSYUXUJABM-INIZCTEOSA-N 2 0 304.482 2.748 20 0 DFADRP COCc1cccc(C[N@@H+]2CC[C@@H](C3CC[NH+](C)CC3)C2)c1 ZINC000290429530 426761965 /nfs/dbraw/zinc/76/19/65/426761965.db2.gz LFFQUBVZGIBALM-LJQANCHMSA-N 2 0 302.462 2.997 20 0 DFADRP C[C@H]1C[N@H+](C)CC[C@H]1N(C)Cc1csc(-c2ccccn2)n1 ZINC000290589034 426798665 /nfs/dbraw/zinc/79/86/65/426798665.db2.gz VDIMJXDEZYOAHR-XJKSGUPXSA-N 2 0 316.474 2.977 20 0 DFADRP CN(CC[N@@H+]1CC[C@@H](CNc2ccccn2)C1)c1ccccc1 ZINC000246155354 426805527 /nfs/dbraw/zinc/80/55/27/426805527.db2.gz DLCLDAHNCCNEKP-KRWDZBQOSA-N 2 0 310.445 2.952 20 0 DFADRP CCC(C)(C)[NH2+][C@H](C)C(=O)NC[C@@H](c1ccsc1)[NH+](C)C ZINC000274649732 426811905 /nfs/dbraw/zinc/81/19/05/426811905.db2.gz GELYTESNYXUDND-OCCSQVGLSA-N 2 0 311.495 2.634 20 0 DFADRP COCC[C@H]1CCC[C@@H]1[NH2+]Cc1ccccc1OCC[NH+](C)C ZINC000282036167 426818001 /nfs/dbraw/zinc/81/80/01/426818001.db2.gz FTHHKLMGOPJDMP-AEFFLSMTSA-N 2 0 320.477 2.922 20 0 DFADRP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@H]1CC[C@H](Cc2ccccc2)C1 ZINC000189174526 426826856 /nfs/dbraw/zinc/82/68/56/426826856.db2.gz OWNBAJJWVYWJSV-RLLQIKCJSA-N 2 0 315.505 2.623 20 0 DFADRP COc1cccc(C2(C[NH2+][C@H]3CC[N@@H+]4CCC[C@H]4C3)CC2)c1 ZINC000290724971 426826944 /nfs/dbraw/zinc/82/69/44/426826944.db2.gz OXHDMWFKEFCFRW-IRXDYDNUSA-N 2 0 300.446 2.943 20 0 DFADRP C[C@H]([NH2+]CC1=CC[N@H+](C)CC1)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000274750863 426829838 /nfs/dbraw/zinc/82/98/38/426829838.db2.gz HKHWQZYUMGCHFP-FXAWDEMLSA-N 3 0 313.489 2.749 20 0 DFADRP FC(F)(F)COCCC[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000246408151 426830190 /nfs/dbraw/zinc/83/01/90/426830190.db2.gz BISDXHZKNJSAKO-DZGCQCFKSA-N 2 0 320.399 2.904 20 0 DFADRP CCC[NH+]1CCC([N@H+](C)C[C@@H](O)COc2cccc(C)c2)CC1 ZINC000267144095 426831129 /nfs/dbraw/zinc/83/11/29/426831129.db2.gz AJXKYAZXQGPWQV-GOSISDBHSA-N 2 0 320.477 2.541 20 0 DFADRP CC[N@@H+]1CC[C@@H](N(C)CC(=O)NCCC2CCCCC2)[C@@H](C)C1 ZINC000246401550 426831183 /nfs/dbraw/zinc/83/11/83/426831183.db2.gz ANHRHCKKKWJJAL-FUHWJXTLSA-N 2 0 323.525 2.735 20 0 DFADRP C[C@@H]1C[C@H]([NH2+]C[C@@](C)(O)C[NH+](C)C)C[C@@H](c2ccccc2)C1 ZINC000246420109 426832959 /nfs/dbraw/zinc/83/29/59/426832959.db2.gz NCKSTPOKQKFMFH-DSLXNQLJSA-N 2 0 304.478 2.861 20 0 DFADRP Cc1csc([C@@H]2COCCN2CCCCn2ccnc2C)n1 ZINC000189264046 426834347 /nfs/dbraw/zinc/83/43/47/426834347.db2.gz IMVKCLGGWBMOQD-HNNXBMFYSA-N 2 0 320.462 2.810 20 0 DFADRP O[C@H](Cc1ccccc1)C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000246468668 426836692 /nfs/dbraw/zinc/83/66/92/426836692.db2.gz FVYGLUJEYNXFLD-SXLOBPIMSA-N 2 0 314.473 2.539 20 0 DFADRP CC[N@@H+]1CC[C@H]([NH+](C)CCc2ccc3c(c2)CCO3)[C@@H](C)C1 ZINC000246477729 426837134 /nfs/dbraw/zinc/83/71/34/426837134.db2.gz HIQJSEDGURJEEI-YJBOKZPZSA-N 2 0 302.462 2.826 20 0 DFADRP CCC[NH2+][C@H](C)C(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000295151392 426839995 /nfs/dbraw/zinc/83/99/95/426839995.db2.gz JQTYQMHPMZAERP-CQSZACIVSA-N 2 0 321.490 2.562 20 0 DFADRP Cc1ccc(C2CC([NH2+][C@H]3CCCN(CCCO)C3)C2)cc1 ZINC000295153685 426840473 /nfs/dbraw/zinc/84/04/73/426840473.db2.gz RKNNNAMRFBPPCI-XBMUEBEBSA-N 2 0 302.462 2.677 20 0 DFADRP Cc1ccccc1[C@@H]([NH3+])C(=O)NC1CC[NH+](C2CCCC2)CC1 ZINC000295154529 426840719 /nfs/dbraw/zinc/84/07/19/426840719.db2.gz JZNCZVGQLXIKKT-GOSISDBHSA-N 2 0 315.461 2.518 20 0 DFADRP C[NH2+]C[C@@H](C)C(=O)Nc1ccc(C[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000246553495 426845487 /nfs/dbraw/zinc/84/54/87/426845487.db2.gz UAWUPDUFOXXLJP-CABCVRRESA-N 2 0 303.450 2.855 20 0 DFADRP C[NH+]1CCN(c2ncccc2C[NH2+][C@H]2CCC(C)(C)C2)CC1 ZINC000295174355 426849177 /nfs/dbraw/zinc/84/91/77/426849177.db2.gz LTXUYZPCCDVGPI-INIZCTEOSA-N 2 0 302.466 2.502 20 0 DFADRP CCN1CC[NH+](C[C@@H](C)CNc2cc[nH+]c3ccccc23)CC1 ZINC000189442166 426856474 /nfs/dbraw/zinc/85/64/74/426856474.db2.gz RUGAFHDYHUDFDU-INIZCTEOSA-N 2 0 312.461 2.920 20 0 DFADRP C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2ccc(-n3cccn3)cc2)C1 ZINC000290553572 426792956 /nfs/dbraw/zinc/79/29/56/426792956.db2.gz RXIJZXDKTIBQQN-PKOBYXMFSA-N 2 0 310.445 2.788 20 0 DFADRP CCO[C@H](CC[NH+](C)C)C[NH2+]Cc1cc(F)cc(Cl)c1 ZINC000274945858 426858812 /nfs/dbraw/zinc/85/88/12/426858812.db2.gz CLLGBGFBTQBBIW-OAHLLOKOSA-N 2 0 302.821 2.926 20 0 DFADRP CC[N@H+](C)[C@H](C(=O)N[C@@H]1CCC[C@@H]([NH+](C)C)C1)c1ccccc1 ZINC000267281403 426861840 /nfs/dbraw/zinc/86/18/40/426861840.db2.gz KVJLVMDDNZZNEW-KURKYZTESA-N 2 0 317.477 2.668 20 0 DFADRP CC[N@H+](C)C[C@H]1CCN(Cc2cn(C)nc2-c2cccs2)C1 ZINC000180550784 426869161 /nfs/dbraw/zinc/86/91/61/426869161.db2.gz YLLNQEGWHMQAPI-CQSZACIVSA-N 2 0 318.490 2.922 20 0 DFADRP C[C@@H]1C[C@@H]1c1ccc(C[NH2+]CC(C)(C)N2CC[NH+](C)CC2)o1 ZINC000314166734 426926659 /nfs/dbraw/zinc/92/66/59/426926659.db2.gz YTECGLBROIIXTG-ZBFHGGJFSA-N 2 0 305.466 2.519 20 0 DFADRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+]Cc1ccc(Cl)cc1F ZINC000275585133 426875336 /nfs/dbraw/zinc/87/53/36/426875336.db2.gz ILPZRWAESUZYOH-CYBMUJFWSA-N 2 0 313.848 2.595 20 0 DFADRP CC[N@@H+]1CC[C@H]([NH2+]CCN2c3ccccc3C[C@H]2C)[C@H](C)C1 ZINC000246992919 426887571 /nfs/dbraw/zinc/88/75/71/426887571.db2.gz KWGNQSMKHMVUNA-NUJGCVRESA-N 2 0 301.478 2.758 20 0 DFADRP CC[N@@H+]1CC[C@H](C[NH2+][C@H](C)c2cccc(N3CCOC3=O)c2)C1 ZINC000247000346 426888241 /nfs/dbraw/zinc/88/82/41/426888241.db2.gz KRDWPMVUCBTEFO-HUUCEWRRSA-N 2 0 317.433 2.636 20 0 DFADRP OC[C@@H]1CCC[N@@H+]1CCCC[NH2+][C@H]1CCCc2sccc21 ZINC000305164723 426889338 /nfs/dbraw/zinc/88/93/38/426889338.db2.gz XYRCJSRUGYKQGB-HOCLYGCPSA-N 2 0 308.491 2.952 20 0 DFADRP CC(C)[NH+]1CCC(O)(C[NH2+][C@@H](C)Cc2ccccc2F)CC1 ZINC000275665356 426890003 /nfs/dbraw/zinc/89/00/03/426890003.db2.gz BRJKDEJKFGSJTC-HNNXBMFYSA-N 2 0 308.441 2.582 20 0 DFADRP C[NH+](C)CCCOc1ccc(C[NH2+]C[C@H]2CCC=CO2)cc1 ZINC000189559648 426891189 /nfs/dbraw/zinc/89/11/89/426891189.db2.gz YNGPOLCORUJDFN-GOSISDBHSA-N 2 0 304.434 2.799 20 0 DFADRP C[C@](O)(C[NH2+]C1CC[NH+](C2CCCC2)CC1)c1cccs1 ZINC000305168434 426891521 /nfs/dbraw/zinc/89/15/21/426891521.db2.gz ZCGFBWCRXRPVAI-KRWDZBQOSA-N 2 0 308.491 2.952 20 0 DFADRP C[C@H]1C[C@@H](N[C@H]2C[C@@H](C)[NH+](C)C[C@H]2C)C[N@@H+]1Cc1ccccc1 ZINC000247139867 426907079 /nfs/dbraw/zinc/90/70/79/426907079.db2.gz QTIYVGYNRMSCCF-VROUVPMXSA-N 2 0 315.505 2.968 20 0 DFADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]C[C@H](c1ccc(F)cc1)N(C)C ZINC000247177568 426910661 /nfs/dbraw/zinc/91/06/61/426910661.db2.gz VAOZAMPYGWQFCR-DTTOXWODSA-N 2 0 307.457 2.747 20 0 DFADRP CN(C)c1ccncc1C[NH2+][C@@H]1CCN(c2ccccc2F)C1 ZINC000291725602 426964247 /nfs/dbraw/zinc/96/42/47/426964247.db2.gz NFOPUBFBZMNSFR-OAHLLOKOSA-N 2 0 314.408 2.655 20 0 DFADRP Cc1cc2ncn(C[C@H](O)C[N@@H+]3C[C@@H]4CCC[C@@H]4C3)c2cc1C ZINC000268268786 426972576 /nfs/dbraw/zinc/97/25/76/426972576.db2.gz GUMDCTYANJIURR-IXDOHACOSA-N 2 0 313.445 2.746 20 0 DFADRP C[N@@H+]1CCC[C@@H]2CN(C[C@@H](O)c3ccccc3Cl)CC[C@@H]21 ZINC000248055796 426978596 /nfs/dbraw/zinc/97/85/96/426978596.db2.gz XGYYKEZTZJBEKD-XOKHGSTOSA-N 2 0 308.853 2.790 20 0 DFADRP CCC[C@@H](C(=O)NC[C@H](c1ccccc1)[NH+](CC)CC)[NH+](C)C ZINC000337950639 427057199 /nfs/dbraw/zinc/05/71/99/427057199.db2.gz ZXCACDOZWZFEFV-ZWKOTPCHSA-N 2 0 319.493 2.916 20 0 DFADRP CC1=CCC[C@H](C)[C@H]1C[NH2+]C[C@H](C(C)C)N1CC[NH+](C)CC1 ZINC000248425297 426998553 /nfs/dbraw/zinc/99/85/53/426998553.db2.gz KBNASPYJLIHTAY-GBESFXJTSA-N 2 0 307.526 2.840 20 0 DFADRP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1ccc(-n2cncn2)cc1 ZINC000295948291 427023197 /nfs/dbraw/zinc/02/31/97/427023197.db2.gz LZBRTZDPPNXRTM-ZVRJUHEZSA-N 2 0 311.433 2.543 20 0 DFADRP C[C@H](Cn1cccn1)[NH2+][C@@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000337900153 427026103 /nfs/dbraw/zinc/02/61/03/427026103.db2.gz PHYZQBRTNAYZSB-ZIFCJYIRSA-N 2 0 312.461 2.914 20 0 DFADRP C[C@H](Cn1cccn1)[NH2+][C@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000337900151 427026367 /nfs/dbraw/zinc/02/63/67/427026367.db2.gz PHYZQBRTNAYZSB-LMMKCTJWSA-N 2 0 312.461 2.914 20 0 DFADRP C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)CC1(C[NH3+])CCCCC1 ZINC000248654756 427029762 /nfs/dbraw/zinc/02/97/62/427029762.db2.gz VLJAMUWNCALMPD-HOTGVXAUSA-N 2 0 309.498 2.522 20 0 DFADRP Cc1cc(F)ccc1C[N@@H+](C)CCN(C)C1CC[NH+](C)CC1 ZINC000182272479 427044278 /nfs/dbraw/zinc/04/42/78/427044278.db2.gz YBHQQWQWIGEXME-UHFFFAOYSA-N 2 0 307.457 2.592 20 0 DFADRP C[C@H]([NH3+])CCC(=O)N(C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000248836679 427050917 /nfs/dbraw/zinc/05/09/17/427050917.db2.gz DEHNEPPIGZXATQ-LZLYRXPVSA-N 2 0 317.477 2.625 20 0 DFADRP C[N@@H+]1CCC[C@@H]1CC[NH2+][C@@H]1CCO[C@H]1c1ccc(F)c(F)c1 ZINC000248999729 427072098 /nfs/dbraw/zinc/07/20/98/427072098.db2.gz IGFWWKGRKATDMT-XYPHTWIQSA-N 2 0 310.388 2.869 20 0 DFADRP Cc1ccc(CN(C)C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)o1 ZINC000190319977 427073163 /nfs/dbraw/zinc/07/31/63/427073163.db2.gz HPGUALYANVCDFA-IBGZPJMESA-N 2 0 314.429 2.657 20 0 DFADRP CC1CC[NH+](C[C@H](O)C[NH2+][C@H]2CCC[C@H]2CCCF)CC1 ZINC000337994682 427081443 /nfs/dbraw/zinc/08/14/43/427081443.db2.gz HAEYBYKGQBSVKX-BBWFWOEESA-N 2 0 300.462 2.587 20 0 DFADRP CC(C)[C@H](C[NH2+][C@H]1CCC[C@H]1CCCF)N1CC[NH+](C)CC1 ZINC000337999596 427084902 /nfs/dbraw/zinc/08/49/02/427084902.db2.gz WDDSWVLUZIOJQW-BZSNNMDCSA-N 2 0 313.505 2.766 20 0 DFADRP O[C@H](C[NH2+][C@H]1CC[C@H](Cc2ccccc2)C1)C[NH+]1CCCCC1 ZINC000249084944 427086379 /nfs/dbraw/zinc/08/63/79/427086379.db2.gz FCFVGEVYCJKXMZ-HSALFYBXSA-N 2 0 316.489 2.834 20 0 DFADRP C[NH+](C)CCOc1cc(C[NH2+][C@H]2CC[C@@H]2C2CCC2)ccn1 ZINC000338004368 427086981 /nfs/dbraw/zinc/08/69/81/427086981.db2.gz YTWMWLYTNFLXGC-SJORKVTESA-N 2 0 303.450 2.690 20 0 DFADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+][C@@H]1CCN(Cc2ccccc2)C1 ZINC000268701085 427093138 /nfs/dbraw/zinc/09/31/38/427093138.db2.gz FPJVMZIHNPHZHE-PSBWJHGTSA-N 2 0 301.478 2.579 20 0 DFADRP C[C@@H]1C[C@H]([NH2+]C[C@@]2(O)CCC[C@H](C(F)(F)F)C2)CC[N@@H+]1C ZINC000249185143 427095566 /nfs/dbraw/zinc/09/55/66/427095566.db2.gz KDMHZRUCDWJARW-XJFOESAGSA-N 2 0 308.388 2.542 20 0 DFADRP C[C@]1(c2ccccc2)CC[C@H]([NH2+]C[C@@H](O)C[NH+]2CCCCC2)C1 ZINC000249190430 427096007 /nfs/dbraw/zinc/09/60/07/427096007.db2.gz NPZZSDICIHYTHD-ZCNNSNEGSA-N 2 0 316.489 2.933 20 0 DFADRP CC(C)N(C)c1ccc(C[NH2+]CC2(C)CC[NH+](C)CC2)cn1 ZINC000276578673 427102809 /nfs/dbraw/zinc/10/28/09/427102809.db2.gz BAQKGAMZVXOXDJ-UHFFFAOYSA-N 2 0 304.482 2.748 20 0 DFADRP CC[N@@H+]1CC[C@H](C[NH2+][C@H](C)c2ccc3c(c2)OCCCO3)C1 ZINC000249383477 427109891 /nfs/dbraw/zinc/10/98/91/427109891.db2.gz VTSODIWNQJSNBT-HUUCEWRRSA-N 2 0 304.434 2.840 20 0 DFADRP CO[C@H](C)[C@H](C)[NH2+]Cc1ccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000268781116 427114221 /nfs/dbraw/zinc/11/42/21/427114221.db2.gz XTBXPDJEDKKPSR-VVLHAWIVSA-N 2 0 320.477 2.809 20 0 DFADRP Cc1ncsc1CN(C)C[C@@H]1CC[N@H+](CC2CCOCC2)C1 ZINC000190458317 427114245 /nfs/dbraw/zinc/11/42/45/427114245.db2.gz VPEOYAAIYHSJOO-INIZCTEOSA-N 2 0 323.506 2.632 20 0 DFADRP CNC(=O)C[C@H](C)[NH2+]Cc1ccc(C[N@@H+]2CCCC[C@H]2C)cc1 ZINC000268798707 427118504 /nfs/dbraw/zinc/11/85/04/427118504.db2.gz GXHUBFXKPVSOQD-JKSUJKDBSA-N 2 0 317.477 2.675 20 0 DFADRP C[C@@H]([NH2+][C@@H](C)Cn1ccnc1)c1ccc(OCC[NH+](C)C)cc1 ZINC000268815567 427125595 /nfs/dbraw/zinc/12/55/95/427125595.db2.gz MGVIKYQHIMUPBH-JKSUJKDBSA-N 2 0 316.449 2.563 20 0 DFADRP CN1CCN(C)[C@@H](C[NH2+][C@H](Cc2ccccc2)c2ccccc2)C1 ZINC000268879985 427138644 /nfs/dbraw/zinc/13/86/44/427138644.db2.gz HSIMRFFWIAPAQA-LEWJYISDSA-N 2 0 323.484 2.806 20 0 DFADRP CSC[C@](C)(O)C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000268978016 427143367 /nfs/dbraw/zinc/14/33/67/427143367.db2.gz CJFYVTXHKKCCOL-KBAYOESNSA-N 2 0 322.518 2.743 20 0 DFADRP CCCNC(=O)[C@H](C)[NH+]1CCC(CCC[NH+](CC)CC)CC1 ZINC000182787069 427147540 /nfs/dbraw/zinc/14/75/40/427147540.db2.gz HXHOGRNFCXHNTN-INIZCTEOSA-N 2 0 311.514 2.735 20 0 DFADRP C[C@H]1CC[C@@H](C[NH+]2CCC(CC[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)O1 ZINC000190651780 427153009 /nfs/dbraw/zinc/15/30/09/427153009.db2.gz SVBZBWDTWFYUHY-BMFAXAFESA-N 2 0 324.509 2.765 20 0 DFADRP C[C@@H](C[NH2+][C@H]1CCCc2cc(F)ccc21)CN1CC[NH+](C)CC1 ZINC000182823091 427153640 /nfs/dbraw/zinc/15/36/40/427153640.db2.gz QLSRIZZIZBHOTF-KXBFYZLASA-N 2 0 319.468 2.676 20 0 DFADRP C[C@H](C[NH2+][C@@H](C)c1cc2ccccc2o1)CN1CC[NH+](C)CC1 ZINC000121065303 271016900 /nfs/dbraw/zinc/01/69/00/271016900.db2.gz JDZPFRMNJBAFHE-CVEARBPZSA-N 2 0 315.461 2.967 20 0 DFADRP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@H](C)c2ccccc2F)CC1 ZINC000121101435 271018729 /nfs/dbraw/zinc/01/87/29/271018729.db2.gz NCRIQRJXMTXPAZ-HZPDHXFCSA-N 2 0 307.457 2.750 20 0 DFADRP CC(C)[C@@H](C[NH2+][C@H](c1ccccc1)C1CC1)N1CC[NH+](C)CC1 ZINC000132887771 271040564 /nfs/dbraw/zinc/04/05/64/271040564.db2.gz LZQVUZILDHSXBB-WOJBJXKFSA-N 2 0 315.505 2.999 20 0 DFADRP CC[C@@H](C)[C@H](C)[NH2+]CCCN1CCN(c2cc[nH+]cc2)CC1 ZINC000268830879 427130639 /nfs/dbraw/zinc/13/06/39/427130639.db2.gz SFGVTMMHBBKXNL-SJORKVTESA-N 2 0 304.482 2.618 20 0 DFADRP C[C@@H](C(=O)NCC[N@H+](C)C1CCCCC1)[C@H]([NH3+])c1ccccc1 ZINC000165005709 271095018 /nfs/dbraw/zinc/09/50/18/271095018.db2.gz URWPHYXLILXWHM-QAPCUYQASA-N 2 0 317.477 2.703 20 0 DFADRP C[C@@H](C(=O)N1CCC[N@@H+](C2CCCC2)CC1)[NH+]1CCCCCC1 ZINC000174201307 271131789 /nfs/dbraw/zinc/13/17/89/271131789.db2.gz YEMDJTUQGCPKSO-KRWDZBQOSA-N 2 0 321.509 2.728 20 0 DFADRP C[C@H]1C[C@@H](N(C)C(=O)Nc2cccc(C[NH+](C)C)c2)CC[N@@H+]1C ZINC000174868314 271141285 /nfs/dbraw/zinc/14/12/85/271141285.db2.gz SPTVYPVPHPOIHJ-YOEHRIQHSA-N 2 0 318.465 2.695 20 0 DFADRP C[C@H](C(=O)NCCC[N@@H+]1CCCC[C@H]1C)[NH+]1CCCCCC1 ZINC000175010581 271144381 /nfs/dbraw/zinc/14/43/81/271144381.db2.gz LWKLZXLBHCUFQC-IAGOWNOFSA-N 2 0 309.498 2.632 20 0 DFADRP C[C@@H]1[C@@H]([NH2+][C@H]2CC[C@@H](CO)C2)CCCN1Cc1ccccc1 ZINC000296393427 427167042 /nfs/dbraw/zinc/16/70/42/427167042.db2.gz KEIGCHNZPLQPIJ-YSHGAJCASA-N 2 0 302.462 2.790 20 0 DFADRP Cc1ccccc1[C@H]([NH3+])C(=O)NCCCC[N@H+]1CCCC[C@H]1C ZINC000296383398 427164913 /nfs/dbraw/zinc/16/49/13/427164913.db2.gz KOVRIKZCOVZBGR-AEFFLSMTSA-N 2 0 317.477 2.766 20 0 DFADRP CSc1ccccc1[C@@H](C)[NH2+]C[C@H](C)CN1CC[NH+](C)CC1 ZINC000194882793 271229027 /nfs/dbraw/zinc/22/90/27/271229027.db2.gz MAXHUXFVIAWVGE-JKSUJKDBSA-N 2 0 321.534 2.943 20 0 DFADRP C[NH+](C)CCCC[NH2+]C[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000227658516 271237344 /nfs/dbraw/zinc/23/73/44/271237344.db2.gz RJGLMDXZFFOMIV-OAHLLOKOSA-N 2 0 313.486 2.565 20 0 DFADRP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+]1C[C@H](C(N)=O)CC[C@@H]1C ZINC000329764343 427169461 /nfs/dbraw/zinc/16/94/61/427169461.db2.gz VPOZVZYUTQXCSM-GXTWGEPZSA-N 2 0 313.405 2.711 20 0 DFADRP O=C(Nc1cccc(C[NH+]2CCCCC2)c1)C1CC[NH2+]CC1 ZINC000238061548 271258333 /nfs/dbraw/zinc/25/83/33/271258333.db2.gz IUEZCIWDSYBXCR-UHFFFAOYSA-N 2 0 301.434 2.611 20 0 DFADRP CCC[C@@](C)([NH3+])C(=O)NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000262314855 271270921 /nfs/dbraw/zinc/27/09/21/271270921.db2.gz PACFBRGSHPANPV-CZUORRHYSA-N 2 0 309.479 2.519 20 0 DFADRP CC[NH+](CC)Cc1ccc(C(=O)N2CC[N@H+](C)CC[C@H]2C)cc1 ZINC000338174831 427171602 /nfs/dbraw/zinc/17/16/02/427171602.db2.gz LERIVKATDKTZPT-MRXNPFEDSA-N 2 0 317.477 2.695 20 0 DFADRP Cc1ccc(C[NH2+]CCCC[NH+](C)C)c(-c2cnn(C)c2)c1 ZINC000282666822 271333170 /nfs/dbraw/zinc/33/31/70/271333170.db2.gz NJHLNMUBNDTSDJ-UHFFFAOYSA-N 2 0 300.450 2.827 20 0 DFADRP COc1ccc([C@H](C[NH+](C)C)N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000284472233 271339615 /nfs/dbraw/zinc/33/96/15/271339615.db2.gz VXBPMCNDYKPQSW-LMMKCTJWSA-N 2 0 317.477 2.514 20 0 DFADRP C[NH+](C)C1CCC([NH2+][C@H](c2nnc[nH]2)C2CCCCC2)CC1 ZINC000333783262 271390298 /nfs/dbraw/zinc/39/02/98/271390298.db2.gz UWMWHTWDQWACRX-GPANFISMSA-N 2 0 305.470 2.889 20 0 DFADRP CC[NH+](CC)Cc1cccc(CNCc2nccnc2OC)c1 ZINC000296440915 427178898 /nfs/dbraw/zinc/17/88/98/427178898.db2.gz NRXRVEGRCPYKGA-UHFFFAOYSA-N 2 0 314.433 2.617 20 0 DFADRP C[C@@H]1C[C@H](CC[NH2+]Cc2cncn2C)C[N@@H+]1Cc1ccccc1 ZINC000338196210 427186035 /nfs/dbraw/zinc/18/60/35/427186035.db2.gz NIBNKRDOLYRWHK-AEFFLSMTSA-N 2 0 312.461 2.810 20 0 DFADRP C[NH+](C)CCCN[C@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000183125362 427203448 /nfs/dbraw/zinc/20/34/48/427203448.db2.gz QHIWHKFTZVHMAI-AABGKKOBSA-N 2 0 315.505 2.828 20 0 DFADRP CCOCC[NH2+][C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000183130016 427208876 /nfs/dbraw/zinc/20/88/76/427208876.db2.gz AOALRBVAGMHLFR-GBESFXJTSA-N 2 0 302.462 2.913 20 0 DFADRP CC(C)[C@H](O)C[NH2+][C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000183142475 427211981 /nfs/dbraw/zinc/21/19/81/427211981.db2.gz QPYJNPYVUKCFQP-VNTMZGSJSA-N 2 0 316.489 2.894 20 0 DFADRP CC(C)(C)n1cc(C[NH2+]CCCCC[NH+]2CCCCC2)nn1 ZINC000191028280 427234446 /nfs/dbraw/zinc/23/44/46/427234446.db2.gz QIGRNGZYRBRVBZ-UHFFFAOYSA-N 2 0 307.486 2.779 20 0 DFADRP C[C@@H]([NH2+]CCCN1CCC[N@H+](C)CC1)c1cccc(F)c1F ZINC000183259178 427236962 /nfs/dbraw/zinc/23/69/62/427236962.db2.gz ODJMHEGSFXQQQC-CQSZACIVSA-N 2 0 311.420 2.643 20 0 DFADRP C[C@H]([NH2+]CCN1CCC([NH+](C)C)CC1)c1cccc(F)c1F ZINC000183277862 427238515 /nfs/dbraw/zinc/23/85/15/427238515.db2.gz BGRXRIXHFYBOHC-ZDUSSCGKSA-N 2 0 311.420 2.641 20 0 DFADRP Cn1cncc1[C@H]1C[C@H]([NH2+]Cc2cccc(O)c2Cl)CCO1 ZINC000293200335 427243492 /nfs/dbraw/zinc/24/34/92/427243492.db2.gz IQHNXWNHABHSQH-IUODEOHRSA-N 2 0 321.808 2.789 20 0 DFADRP CC[NH+]1CCN([C@@H]2CC[N@H+](C[C@@H]3CCCC(F)(F)C3)C2)CC1 ZINC000338309199 427252175 /nfs/dbraw/zinc/25/21/75/427252175.db2.gz UPXWSAMCPRZNPY-HZPDHXFCSA-N 2 0 315.452 2.524 20 0 DFADRP CCC[N@H+](CC)Cc1ccc(C(=O)N[C@H]2CC[NH2+]C[C@@H]2C)cc1 ZINC000277597404 427254989 /nfs/dbraw/zinc/25/49/89/427254989.db2.gz POMGZDYFDWBSIM-YJBOKZPZSA-N 2 0 317.477 2.646 20 0 DFADRP C[C@@H]([NH2+]CCC1CC[NH+](C)CC1)c1ccccc1-n1ccnn1 ZINC000285508150 427257898 /nfs/dbraw/zinc/25/78/98/427257898.db2.gz AMNQYCSZNBEPIP-OAHLLOKOSA-N 2 0 313.449 2.650 20 0 DFADRP c1cc(N2CCN(CCC[NH2+]C[C@@H]3CC=CCC3)CC2)cc[nH+]1 ZINC000269766747 427271782 /nfs/dbraw/zinc/27/17/82/427271782.db2.gz MYLKCXLSJVSAID-GOSISDBHSA-N 2 0 314.477 2.540 20 0 DFADRP CC(C)[C@H](O)C[N@@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000293363394 427301456 /nfs/dbraw/zinc/30/14/56/427301456.db2.gz ONLWHPSZOBVGRS-MOPGFXCFSA-N 2 0 302.462 2.601 20 0 DFADRP CCO[C@@H](CC[NH+](C)C)C[NH2+][C@H](C)c1cnn(C(C)(C)C)c1C ZINC000191334044 427321502 /nfs/dbraw/zinc/32/15/02/427321502.db2.gz PTKVPPRPNYGNCA-ZBFHGGJFSA-N 2 0 324.513 2.954 20 0 DFADRP C[NH+](C)CCCC1CC[NH+](C[C@@H](O)c2ccccc2F)CC1 ZINC000271047462 427385334 /nfs/dbraw/zinc/38/53/34/427385334.db2.gz OTFRWHDDWLBINO-GOSISDBHSA-N 2 0 308.441 2.913 20 0 DFADRP CC1(C)C[C@H]([NH2+][C@H]2CCCN(CCCO)C2)c2ccccc21 ZINC000297292826 427387813 /nfs/dbraw/zinc/38/78/13/427387813.db2.gz LXBFGKRLQOUBCY-YJBOKZPZSA-N 2 0 302.462 2.845 20 0 DFADRP C[NH+](C)[C@H]1CCC[C@H]([NH2+]C2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000297305646 427394359 /nfs/dbraw/zinc/39/43/59/427394359.db2.gz BIBFVMIZBCIBEY-WMZOPIPTSA-N 3 0 302.466 2.513 20 0 DFADRP CO[C@@H](C)[C@H](C)[NH2+][C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000191655390 427399533 /nfs/dbraw/zinc/39/95/33/427399533.db2.gz KYBJVUJHGOXVDX-PLOWYNNNSA-N 2 0 302.462 2.910 20 0 DFADRP C[C@H]1[C@H]([NH2+]CCCn2ccnc2)CCCN1Cc1ccccc1 ZINC000293675606 427401840 /nfs/dbraw/zinc/40/18/40/427401840.db2.gz JZJLFNVFNFTURK-PKOBYXMFSA-N 3 0 312.461 2.916 20 0 DFADRP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C[C@H](O)c2cccnc2)C1 ZINC000297500883 427407750 /nfs/dbraw/zinc/40/77/50/427407750.db2.gz NDBWKYFAWNKLRT-LMMKCTJWSA-N 2 0 317.477 2.701 20 0 DFADRP CCc1ccccc1NC(=O)C[C@@H](C)[NH2+]C[C@H](C)C[NH+](C)C ZINC000293718556 427412353 /nfs/dbraw/zinc/41/23/53/427412353.db2.gz PKHRMYUTDAQWHY-LSDHHAIUSA-N 2 0 305.466 2.753 20 0 DFADRP COc1ccc(F)c(C[NH2+]CCCC[NH+]2C[C@@H](C)O[C@H](C)C2)c1 ZINC000293728269 427416336 /nfs/dbraw/zinc/41/63/36/427416336.db2.gz ZBGIVVNJDFQNSJ-HUUCEWRRSA-N 2 0 324.440 2.813 20 0 DFADRP CC[C@H](Cc1ccc(OC)c(OC)c1)[NH2+]C[C@H](C)C[NH+](C)C ZINC000293732460 427417092 /nfs/dbraw/zinc/41/70/92/427417092.db2.gz QDYMHAMMZZBWOR-GOEBONIOSA-N 2 0 308.466 2.812 20 0 DFADRP CC(C)[NH+]1CCN(CCC[N@H+](C)Cc2ccccc2F)CC1 ZINC000191455607 427354343 /nfs/dbraw/zinc/35/43/43/427354343.db2.gz NTPWRPIVQZYMCO-UHFFFAOYSA-N 2 0 307.457 2.674 20 0 DFADRP CCC[N@H+](CCC(=O)N1CC[NH2+]CC1)[C@H](CC)c1ccccc1 ZINC000262229385 427354473 /nfs/dbraw/zinc/35/44/73/427354473.db2.gz VEVZLHXWFYOYQP-GOSISDBHSA-N 2 0 317.477 2.672 20 0 DFADRP CC(C)[C@H]1C[C@@H]([NH2+]CC2(O)CC[NH+](C)CC2)c2ccccc21 ZINC000278793787 427455722 /nfs/dbraw/zinc/45/57/22/427455722.db2.gz QOQSUKPLRXHMAH-QZTJIDSGSA-N 2 0 302.462 2.917 20 0 DFADRP CCOCCC1(C[NH2+]C2CCN(c3cc[nH+]cc3)CC2)CC1 ZINC000297822539 427460230 /nfs/dbraw/zinc/46/02/30/427460230.db2.gz YZFBUTJREAMQFF-UHFFFAOYSA-N 2 0 303.450 2.847 20 0 DFADRP CC(C)c1nnc([C@H](C)[NH2+]C2CCN(c3cc[nH+]cc3)CC2)[nH]1 ZINC000297818565 427460313 /nfs/dbraw/zinc/46/03/13/427460313.db2.gz YRCQQXGCSVJISK-ZDUSSCGKSA-N 2 0 314.437 2.643 20 0 DFADRP C[C@H](CN[C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21)C[NH+](C)C ZINC000293863069 427468495 /nfs/dbraw/zinc/46/84/95/427468495.db2.gz XVFHAKFZQDITIZ-BTHPGYMESA-N 2 0 315.505 2.684 20 0 DFADRP C[NH+](C)Cc1cc(C[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C2(C)C)ccc1F ZINC000278839676 427471416 /nfs/dbraw/zinc/47/14/16/427471416.db2.gz UTMRNRZHTZMCTJ-UAGQMJEPSA-N 2 0 306.425 2.790 20 0 DFADRP C[C@@H]([NH3+])[C@H](C)C(=O)Nc1ccc(-c2ncc3n2CCCC3)cc1 ZINC000192099791 427479204 /nfs/dbraw/zinc/47/92/04/427479204.db2.gz OWQMLILMCJKGAW-QWHCGFSZSA-N 2 0 312.417 2.808 20 0 DFADRP C[C@@H]([NH3+])[C@H](C)C(=O)NCc1ccccc1C[N@@H+]1CCC[C@H](C)C1 ZINC000192094109 427479806 /nfs/dbraw/zinc/47/98/06/427479806.db2.gz YYEWCFHKQHCRAP-HRCADAONSA-N 2 0 317.477 2.518 20 0 DFADRP C[C@H]([NH2+]CCN1CC[N@H+](C)C(C)(C)C1)[C@H]1C[C@@H]1c1ccccc1 ZINC000338778489 427481678 /nfs/dbraw/zinc/48/16/78/427481678.db2.gz FAYHNGQEHYJLQL-QXAKKESOSA-N 2 0 315.505 2.794 20 0 DFADRP c1ccc(C[N@@H+]2CC[C@H](N3CC[NH+](C4CCCC4)CC3)C2)cc1 ZINC000271284250 427482293 /nfs/dbraw/zinc/48/22/93/427482293.db2.gz OPCNOHNOZZXCED-FQEVSTJZSA-N 2 0 313.489 2.821 20 0 DFADRP C[C@H]([NH2+][C@H]1CCC[C@@H]([NH+](C)C)C1)c1ccc2c(c1)OCC(=O)N2 ZINC000286098064 427425321 /nfs/dbraw/zinc/42/53/21/427425321.db2.gz NBXYNZASPHXSEN-AEGPPILISA-N 2 0 317.433 2.541 20 0 DFADRP Cc1ccc(C[N@@H+](C)CC2CC[NH+](C[C@H](C)O)CC2)cc1F ZINC000271179497 427434742 /nfs/dbraw/zinc/43/47/42/427434742.db2.gz VMBGVMFTPIIZDH-HNNXBMFYSA-N 2 0 308.441 2.659 20 0 DFADRP C[NH+]1CCC(O)(C[NH2+]C2CCC(C)(c3ccccc3)CC2)CC1 ZINC000271187366 427438733 /nfs/dbraw/zinc/43/87/33/427438733.db2.gz WXXFRIHYDNWYPW-UHFFFAOYSA-N 2 0 316.489 2.933 20 0 DFADRP C[C@H]([NH2+]C[C@H](O)C[NH+]1CCCCC1)[C@@H]1C[C@@H]1c1ccccc1 ZINC000338687902 427439063 /nfs/dbraw/zinc/43/90/63/427439063.db2.gz QPCOVHZSKJNPBB-DSLXNQLJSA-N 2 0 302.462 2.615 20 0 DFADRP CC(C)[C@@H]1C[C@@H]([NH2+]C[C@@H]2CN(C)CCN2C)c2ccccc21 ZINC000278902256 427493953 /nfs/dbraw/zinc/49/39/53/427493953.db2.gz ZLOCYLMOFUXTBX-AYOQOUSVSA-N 2 0 301.478 2.706 20 0 DFADRP CC[N@@H+]1C[C@H](C)[C@H](N[C@@H](C[NH+](C)C)c2ccc(Cl)cc2)C1 ZINC000338795221 427494510 /nfs/dbraw/zinc/49/45/10/427494510.db2.gz RAQAJNARKJARSN-XKQJLSEDSA-N 2 0 309.885 2.873 20 0 DFADRP CC[NH+](CC)[C@@H](CNC(=O)[C@@](C)([NH3+])c1ccccc1)CC(C)C ZINC000192515351 427554745 /nfs/dbraw/zinc/55/47/45/427554745.db2.gz RACUFFPRJUBFPL-MJGOQNOKSA-N 2 0 319.493 2.733 20 0 DFADRP C[C@H](O)C[NH2+][C@@H]1CCCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000278930764 427504366 /nfs/dbraw/zinc/50/43/66/427504366.db2.gz LERCVDCGDRRSTO-WZGPROSRSA-N 2 0 302.462 2.648 20 0 DFADRP CC(C)[NH+](CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C)C(C)C ZINC000184617559 427506161 /nfs/dbraw/zinc/50/61/61/427506161.db2.gz LWTOCHSBMZTDDZ-KRWDZBQOSA-N 2 0 305.466 2.524 20 0 DFADRP CC[NH+](CC)Cc1ccc(C(=O)NCC[N@H+](CC)C2CC2)cc1 ZINC000263660518 427534174 /nfs/dbraw/zinc/53/41/74/427534174.db2.gz ASDYKFVWEQRLRM-UHFFFAOYSA-N 2 0 317.477 2.743 20 0 DFADRP Cc1ccc([C@@H](CNC2CC[NH+](C3CC3)CC2)[NH+](C)C)cc1 ZINC000298225014 427539864 /nfs/dbraw/zinc/53/98/64/427539864.db2.gz ATBWWSODGGEEIK-LJQANCHMSA-N 2 0 301.478 2.814 20 0 DFADRP c1cc2c(c(C[NH2+]C3CCN(c4cc[nH+]cc4)CC3)c1)OCO2 ZINC000294091079 427544754 /nfs/dbraw/zinc/54/47/54/427544754.db2.gz BDLWMQIVEVDKPN-UHFFFAOYSA-N 2 0 311.385 2.569 20 0 DFADRP CC[NH+](CC)CCOc1ccc(C[NH2+][C@@H]2CCOC[C@H]2C)cc1 ZINC000192479459 427546663 /nfs/dbraw/zinc/54/66/63/427546663.db2.gz UNEWATGAHRYCPQ-VQIMIIECSA-N 2 0 320.477 2.922 20 0 DFADRP CCCn1ncnc1CN[C@H](C)c1cccc(-n2ccnc2)c1 ZINC000279084110 427553440 /nfs/dbraw/zinc/55/34/40/427553440.db2.gz MJQBZACXQOEOIP-CQSZACIVSA-N 2 0 310.405 2.725 20 0 DFADRP C[NH+](C)CCOc1cc(C[NH2+][C@H]2CCC[C@@H]2CCF)ccn1 ZINC000286318456 427490728 /nfs/dbraw/zinc/49/07/28/427490728.db2.gz XUQNUOURYBHDLN-CVEARBPZSA-N 2 0 309.429 2.640 20 0 DFADRP Cc1ccc([C@H](CNC2C[C@H]3CC[C@@H](C2)[N@H+]3C)[NH+]2CCCC2)o1 ZINC000192799071 427612202 /nfs/dbraw/zinc/61/22/02/427612202.db2.gz QNEUBGXYDJZUEN-FBVQUNGASA-N 2 0 317.477 2.940 20 0 DFADRP C[NH+](C)[C@@H]1CCc2cc(NC(=O)N[C@H]3CCC[C@@H]([NH3+])C3)ccc21 ZINC000332566955 427621788 /nfs/dbraw/zinc/62/17/88/427621788.db2.gz UPFIYVYHTDCDKL-JKIFEVAISA-N 2 0 316.449 2.627 20 0 DFADRP Cc1nc(CN2CCC(C[NH2+][C@H]3CCOC[C@@H]3C)CC2)oc1C ZINC000192538384 427559066 /nfs/dbraw/zinc/55/90/66/427559066.db2.gz AFLDDIWLICGPCF-GUYCJALGSA-N 2 0 321.465 2.518 20 0 DFADRP C[C@@H]1[C@H](N[C@@H]2CC[NH+](C)[C@H](C)C2)CC[N@@H+]1Cc1ccccc1 ZINC000287299052 427570929 /nfs/dbraw/zinc/57/09/29/427570929.db2.gz KOARJPAHBXECBJ-PSBWJHGTSA-N 2 0 301.478 2.722 20 0 DFADRP c1ccc(C[N@@H+]2C[C@@H]3CC[C@H]([NH2+][C@H]4CCCOC4)[C@H]3C2)cc1 ZINC000287335767 427580333 /nfs/dbraw/zinc/58/03/33/427580333.db2.gz MQVDOLPGWFWASM-VJANTYMQSA-N 2 0 300.446 2.666 20 0 DFADRP CC[C@H](O)C[N@@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000339008966 427623352 /nfs/dbraw/zinc/62/33/52/427623352.db2.gz DOGLRPMVCKUDJR-OALUTQOASA-N 2 0 302.462 2.745 20 0 DFADRP COC1(CC[NH+]2CCC(C[NH+]3C[C@@H](C)O[C@H](C)C3)CC2)CCC1 ZINC000338952821 427584968 /nfs/dbraw/zinc/58/49/68/427584968.db2.gz DZEBNWHFQNQEQE-IAGOWNOFSA-N 2 0 324.509 2.767 20 0 DFADRP C[N@H+]1CC=C(C[NH2+]Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC000271822998 427589910 /nfs/dbraw/zinc/58/99/10/427589910.db2.gz NENCINXJJGOGBP-UHFFFAOYSA-N 2 0 300.324 2.937 20 0 DFADRP CCC(CC)C(=O)N1CCC([NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000192701214 427590363 /nfs/dbraw/zinc/59/03/63/427590363.db2.gz PPIVCZCAMMTPCT-AYHJJNSGSA-N 2 0 321.509 2.628 20 0 DFADRP CC1(C)CCC(C[N@@H+]2CCC[C@@H](n3cc(C[NH3+])nn3)C2)CC1 ZINC000332375152 427595976 /nfs/dbraw/zinc/59/59/76/427595976.db2.gz XMUWFLGDQRKWOT-MRXNPFEDSA-N 2 0 305.470 2.590 20 0 DFADRP CCCC(O)(CCC)C[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000298411577 427601188 /nfs/dbraw/zinc/60/11/88/427601188.db2.gz MCSYYZBTHNMSND-UHFFFAOYSA-N 2 0 305.466 2.971 20 0 DFADRP CC(C)Oc1cccc([C@H](O)C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)c1 ZINC000192876474 427627660 /nfs/dbraw/zinc/62/76/60/427627660.db2.gz IGEVWRFRBLVUAR-RGPMPMONSA-N 2 0 318.461 2.722 20 0 DFADRP COc1ccccc1O[C@@H](C)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000192909619 427634813 /nfs/dbraw/zinc/63/48/13/427634813.db2.gz ARYJQMSTRHGYPJ-HNSVSWJLSA-N 2 0 304.434 2.677 20 0 DFADRP c1cn2c(cccc2C[NH2+]C[C@@H]2CC[N@H+](Cc3ccccc3)C2)n1 ZINC000192925414 427636319 /nfs/dbraw/zinc/63/63/19/427636319.db2.gz DWRQHQQJLLGPKT-SFHVURJKSA-N 3 0 320.440 2.946 20 0 DFADRP c1c(CNC[C@H]2CC[N@H+](Cc3ccccc3)C2)nc2ccccn12 ZINC000192922521 427636558 /nfs/dbraw/zinc/63/65/58/427636558.db2.gz QAUBIJZNYARFFE-GOSISDBHSA-N 2 0 320.440 2.946 20 0 DFADRP CCC[NH+]1CCC(NC[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000192921029 427636588 /nfs/dbraw/zinc/63/65/88/427636588.db2.gz RYAHQYDCDICKMT-IBGZPJMESA-N 3 0 315.505 2.973 20 0 DFADRP CC[N@H+](C)[C@@H](C(=O)NCCC[NH+](C)C(C)C)c1ccccc1 ZINC000264026474 427639140 /nfs/dbraw/zinc/63/91/40/427639140.db2.gz LLYZTMCGJTTXTR-QGZVFWFLSA-N 2 0 305.466 2.526 20 0 DFADRP c1cc(N2CCC([NH2+]C3CC[NH+](C4CCC4)CC3)CC2)cc[nH+]1 ZINC000298526029 427639108 /nfs/dbraw/zinc/63/91/08/427639108.db2.gz RUZWMSWVWWFRGJ-UHFFFAOYSA-N 3 0 314.477 2.657 20 0 DFADRP O[C@H](Cc1cccc(Cl)c1)C[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000287586293 427646458 /nfs/dbraw/zinc/64/64/58/427646458.db2.gz CNXAVUHMNCGZBU-SJLPKXTDSA-N 2 0 322.880 2.661 20 0 DFADRP C[N@@H+]1CCCC[C@H]1CC[NH+]1CC[C@H](OCc2ccncc2)C1 ZINC000287583831 427646610 /nfs/dbraw/zinc/64/66/10/427646610.db2.gz CIVPLJVWLVJFDW-ROUUACIJSA-N 2 0 303.450 2.547 20 0 DFADRP CCn1cc(C[NH2+][C@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)cn1 ZINC000272146965 427649480 /nfs/dbraw/zinc/64/94/80/427649480.db2.gz CMACAWYQOZICSQ-VQIMIIECSA-N 2 0 312.461 2.903 20 0 DFADRP C[C@@H]1C[N@H+](C)CC[C@H]1NCc1ccc(OC(F)F)c(F)c1 ZINC000339066552 427656971 /nfs/dbraw/zinc/65/69/71/427656971.db2.gz FUYNYUUJYXZTCD-ZWNOBZJWSA-N 2 0 302.340 2.857 20 0 DFADRP c1cc(C[NH+]2CCCC2)ccc1C[NH2+]C1CCN(C2CC2)CC1 ZINC000298610939 427656994 /nfs/dbraw/zinc/65/69/94/427656994.db2.gz ZYUWQIUDVZSNAI-UHFFFAOYSA-N 2 0 313.489 2.999 20 0 DFADRP CC[N@H+](C)Cc1cccc(CNC(=O)[C@@H]2CCCC[NH+]2CC)c1 ZINC000264102166 427657345 /nfs/dbraw/zinc/65/73/45/427657345.db2.gz NDPBUOAVQJBCJC-SFHVURJKSA-N 2 0 317.477 2.629 20 0 DFADRP CC(C)(C)c1cn2c(n1)CC[C@H]([NH2+][C@H]1CC[N@@H+]3CCC[C@H]3C1)C2 ZINC000339068043 427658924 /nfs/dbraw/zinc/65/89/24/427658924.db2.gz JLUJRBNEGDCODF-JYJNAYRXSA-N 2 0 316.493 2.712 20 0 DFADRP C[C@@H]1CC[C@@H]([NH2+]Cc2ccncc2OCC[NH+](C)C)C[C@@H]1C ZINC000342427327 272011468 /nfs/dbraw/zinc/01/14/68/272011468.db2.gz MILWBCBADRMQPV-HLLBOEOZSA-N 2 0 305.466 2.936 20 0 DFADRP COc1ccc(C[C@@H](C)C[NH2+]CCCn2ccnc2)cc1F ZINC000185265851 427624582 /nfs/dbraw/zinc/62/45/82/427624582.db2.gz GZERRSHQBLFLNO-CQSZACIVSA-N 2 0 305.397 2.889 20 0 DFADRP C[C@H]1CC(C)(C)C[C@H]1[NH2+]Cc1ccnc(N2CC[NH+](C)CC2)c1 ZINC000193124238 427668471 /nfs/dbraw/zinc/66/84/71/427668471.db2.gz ZXABSYVLAMOKFQ-DOTOQJQBSA-N 2 0 316.493 2.748 20 0 DFADRP CC(C)[N@H+](C)Cc1ccccc1CNC(=O)[C@@H]1CCC[NH2+][C@H]1C ZINC000342691249 272042332 /nfs/dbraw/zinc/04/23/32/272042332.db2.gz CCWQYTZJEVTPQA-MAUKXSAKSA-N 2 0 317.477 2.531 20 0 DFADRP C[C@@H]1[NH2+]CCC[C@H]1C(=O)Nc1cccc(C[NH+]2CCCCC2)c1 ZINC000342695140 272042984 /nfs/dbraw/zinc/04/29/84/272042984.db2.gz OTVBLUCRFOOYAM-MAUKXSAKSA-N 2 0 315.461 2.999 20 0 DFADRP C[NH+]1CCN(Cc2ccc(C[NH2+][C@@H]3CCC3(C)C)cc2)CC1 ZINC000342715637 272044655 /nfs/dbraw/zinc/04/46/55/272044655.db2.gz WLVVGLAWBUHEDA-GOSISDBHSA-N 2 0 301.478 2.712 20 0 DFADRP CCC[N@H+](C)C[C@H]1CCN(Cc2cnc(C(C)(C)C)nc2)C1 ZINC000342777651 272052528 /nfs/dbraw/zinc/05/25/28/272052528.db2.gz HXDCTGVZAXDSBH-OAHLLOKOSA-N 2 0 304.482 2.938 20 0 DFADRP CC[C@@H]1C[C@H](C)CC[C@H]1[NH2+]Cc1nnc(C2CC[NH2+]CC2)[nH]1 ZINC000333654726 427669862 /nfs/dbraw/zinc/66/98/62/427669862.db2.gz ZRBZJBJTHIXOJO-UMVBOHGHSA-N 2 0 305.470 2.576 20 0 DFADRP Cc1cccc(C)c1C[N@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@@H]21 ZINC000342928050 272067021 /nfs/dbraw/zinc/06/70/21/272067021.db2.gz PMNWLHRIMBMBTJ-YTQUADARSA-N 2 0 302.462 2.987 20 0 DFADRP CC[NH+](CC)[C@H](CN[C@@H]1C[N@H+](CC)C[C@@H]1C)c1ccccc1 ZINC000342944176 272070194 /nfs/dbraw/zinc/07/01/94/272070194.db2.gz IUXKXQYJGLBNMH-QXAKKESOSA-N 2 0 303.494 2.999 20 0 DFADRP C[C@@H]1CN(C)C[C@H]1[NH2+]Cc1cccc(NC(=O)C2CCCC2)c1 ZINC000343484548 272157567 /nfs/dbraw/zinc/15/75/67/272157567.db2.gz WCCYCJDLPJVCRW-RDTXWAMCSA-N 2 0 315.461 2.855 20 0 DFADRP Cc1ccc(CCC[NH+]2CCC([N@@H+](C)C[C@H](C)O)CC2)cc1 ZINC000343548387 272167707 /nfs/dbraw/zinc/16/77/07/272167707.db2.gz IOIMSKNKEKNWIS-KRWDZBQOSA-N 2 0 304.478 2.705 20 0 DFADRP Cc1ccc(NC(=O)C[NH+]2[C@H](C)CC[C@H]2C)c(C[NH+](C)C)c1 ZINC000343684733 272200429 /nfs/dbraw/zinc/20/04/29/272200429.db2.gz UJAYBKGFHCPJDM-HUUCEWRRSA-N 2 0 303.450 2.868 20 0 DFADRP CC[N@H+](C)[C@@H](C(=O)NC[C@H]1CCC[NH+](CC)C1)c1ccccc1 ZINC000343749877 272211493 /nfs/dbraw/zinc/21/14/93/272211493.db2.gz CLHIKGISAWNLAO-SJLPKXTDSA-N 2 0 317.477 2.528 20 0 DFADRP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000343916099 272237520 /nfs/dbraw/zinc/23/75/20/272237520.db2.gz AKLHSURFHORKCS-ZHALLVOQSA-N 2 0 301.478 2.705 20 0 DFADRP C[NH+](C)CCOc1cnccc1C[NH2+][C@@H]1CC[C@@H]1C(C)(C)C ZINC000343982076 272246409 /nfs/dbraw/zinc/24/64/09/272246409.db2.gz KTBGUTXHEDQGCO-JKSUJKDBSA-N 2 0 305.466 2.936 20 0 DFADRP COc1ccc(C[NH2+]Cc2cn(-c3cc[nH+]cc3)nc2C)cc1O ZINC000344070023 272255953 /nfs/dbraw/zinc/25/59/53/272255953.db2.gz MDSXONXPEDTHNN-UHFFFAOYSA-N 2 0 324.384 2.580 20 0 DFADRP CC(C)[C@H](O)C1(C[NH2+][C@H]2CN(Cc3ccccc3)C[C@@H]2C)CC1 ZINC000344293167 272306635 /nfs/dbraw/zinc/30/66/35/272306635.db2.gz HIYAYLIVGILYDY-WDSOQIARSA-N 2 0 316.489 2.894 20 0 DFADRP CC1(C)[C@H](O)C[C@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000193313642 427683869 /nfs/dbraw/zinc/68/38/69/427683869.db2.gz MCBIZNMAKSZKKG-BMSWRWNDSA-N 2 0 314.473 2.931 20 0 DFADRP C[C@H]([NH3+])CCC(=O)NC[C@H](c1cccs1)[NH+]1CCC(C)CC1 ZINC000193291150 427684141 /nfs/dbraw/zinc/68/41/41/427684141.db2.gz OPTJUDLENZLGRD-LSDHHAIUSA-N 2 0 323.506 2.765 20 0 DFADRP CC(C)c1nccn1CCC(=O)NC[C@H]1[N@H+](C)CCCC1(C)C ZINC000344617011 272348823 /nfs/dbraw/zinc/34/88/23/272348823.db2.gz PEFVMSSHXMWMJX-OAHLLOKOSA-N 2 0 320.481 2.633 20 0 DFADRP C[C@@H]1C[C@@H]([NH2+]Cc2c[nH]nc2-c2ccccc2F)CC[N@@H+]1C ZINC000344633271 272349811 /nfs/dbraw/zinc/34/98/11/272349811.db2.gz RHTLTDGXRAETLC-OCCSQVGLSA-N 2 0 302.397 2.788 20 0 DFADRP C[N@@H+]1CCCC(C)(C)[C@@H]1CNC(=O)[C@H]1CCC[NH+]1C1CCCC1 ZINC000344662699 272353208 /nfs/dbraw/zinc/35/32/08/272353208.db2.gz KFVCWYUIEZAZRK-SJORKVTESA-N 2 0 321.509 2.630 20 0 DFADRP CC[C@@H](C(=O)N1CCC(C[NH+](CC)CC)CC1)[NH+](CC)CC ZINC000344832690 272375522 /nfs/dbraw/zinc/37/55/22/272375522.db2.gz SPUXIJTXULWMJP-KRWDZBQOSA-N 2 0 311.514 2.687 20 0 DFADRP Cc1cc(C[NH2+][C@@H](C)CCN2CC[NH+](C)CC2)ccc1Cl ZINC000185871258 427722766 /nfs/dbraw/zinc/72/27/66/427722766.db2.gz UEFRZBFGNJFJHV-HNNXBMFYSA-N 2 0 309.885 2.764 20 0 DFADRP C[C@@H](CCN1CC[NH+](C)CC1)[NH2+]Cc1cc2ccccc2o1 ZINC000185878337 427722884 /nfs/dbraw/zinc/72/28/84/427722884.db2.gz FUAISTLMOLVZIS-HNNXBMFYSA-N 2 0 301.434 2.548 20 0 DFADRP CCOc1ccccc1C[NH+]1CCC(N2CCO[C@@H](C)C2)CC1 ZINC000193430387 427691549 /nfs/dbraw/zinc/69/15/49/427691549.db2.gz UEIFKKPYLBWJSN-INIZCTEOSA-N 2 0 318.461 2.770 20 0 DFADRP C[C@H]([NH2+][C@@H]1Cc2ccccc2[C@@H]1O)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185716304 427692823 /nfs/dbraw/zinc/69/28/23/427692823.db2.gz HMFHDOJPXZBETO-UQOODKLHSA-N 2 0 314.473 2.887 20 0 DFADRP O=C(Nc1ccccc1)[C@@H]1CCC[N@H+](CCC[NH+]2CCCC2)C1 ZINC000193461478 427693493 /nfs/dbraw/zinc/69/34/93/427693493.db2.gz JYISOQRGFZDCEG-QGZVFWFLSA-N 2 0 315.461 2.823 20 0 DFADRP CC(C)n1nccc1C[NH2+]C1CCN(Cc2ccncc2)CC1 ZINC000279538697 427697822 /nfs/dbraw/zinc/69/78/22/427697822.db2.gz AEQZNJBXMNCKDL-UHFFFAOYSA-N 2 0 313.449 2.613 20 0 DFADRP C[C@H]([NH2+]Cc1ccc(CO)cc1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185755351 427701584 /nfs/dbraw/zinc/70/15/84/427701584.db2.gz WKHAYMOZQBXTQW-MAUKXSAKSA-N 2 0 302.462 2.922 20 0 DFADRP C[C@@H](CCN1CC[NH+](C)CC1)[NH2+]Cc1ccc(F)c(Cl)c1 ZINC000185878429 427723700 /nfs/dbraw/zinc/72/37/00/427723700.db2.gz QDHCFFAOQJMJTD-ZDUSSCGKSA-N 2 0 313.848 2.595 20 0 DFADRP CCC[C@H](O)C[N@H+](CC)CC1CCN(c2ccccn2)CC1 ZINC000295140398 427710900 /nfs/dbraw/zinc/71/09/00/427710900.db2.gz ZKXVLBVVNORQQQ-KRWDZBQOSA-N 2 0 305.466 2.781 20 0 DFADRP CCC[C@@H](O)C[N@H+](CC)CC1CCN(c2ccccn2)CC1 ZINC000295140400 427711186 /nfs/dbraw/zinc/71/11/86/427711186.db2.gz ZKXVLBVVNORQQQ-QGZVFWFLSA-N 2 0 305.466 2.781 20 0 DFADRP CC[N@@H+]1CC[C@H](C[NH2+][C@@H]2CCC[C@H](CCCC(=O)OC)C2)C1 ZINC000339188437 427723944 /nfs/dbraw/zinc/72/39/44/427723944.db2.gz DFYMTFHMJHLKMM-BRWVUGGUSA-N 2 0 310.482 2.820 20 0 DFADRP C[C@H](NC(=O)C[NH+]1CCC(CC[NH+](C)C)CC1)c1cccs1 ZINC000298835227 427715680 /nfs/dbraw/zinc/71/56/80/427715680.db2.gz BKKUEHNCRBWMOH-AWEZNQCLSA-N 2 0 323.506 2.589 20 0 DFADRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@H](C)[C@H](OC)c1ccccc1 ZINC000279702962 427716290 /nfs/dbraw/zinc/71/62/90/427716290.db2.gz JOORVCITCPIIQJ-NXHRZFHOSA-N 2 0 308.466 2.709 20 0 DFADRP Cn1cc(C[NH2+]CCCCC[NH+]2CCCC2)c(C(F)F)n1 ZINC000339500556 427783602 /nfs/dbraw/zinc/78/36/02/427783602.db2.gz BMCPXIPISUNMQL-UHFFFAOYSA-N 2 0 300.397 2.713 20 0 DFADRP Cn1cc([C@H](CNc2cc[nH+]c3cc(F)ccc23)[NH+](C)C)cn1 ZINC000301306008 427788180 /nfs/dbraw/zinc/78/81/80/427788180.db2.gz YMGDXMSGKMTXBD-KRWDZBQOSA-N 2 0 313.380 2.822 20 0 DFADRP Cc1nc2ccccc2n1CCNc1nc2cccc(F)c2n1C ZINC000337028559 427790172 /nfs/dbraw/zinc/79/01/72/427790172.db2.gz WXEBIRVRYZXGAK-UHFFFAOYSA-N 2 0 323.375 3.483 20 0 DFADRP C[C@H](O)CCC[N@@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000336655990 427746259 /nfs/dbraw/zinc/74/62/59/427746259.db2.gz JULWYXTVBCCOPO-WDSOQIARSA-N 2 0 302.462 2.601 20 0 DFADRP C[C@H]([NH2+][C@H]1CCN(C2CC2)C1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000336656326 427746723 /nfs/dbraw/zinc/74/67/23/427746723.db2.gz MAAGTHUAWMUGNF-WDSOQIARSA-N 2 0 313.489 2.723 20 0 DFADRP COc1ccc([C@H](C)[NH2+]C[C@H](C)C[NH3+])cc1Br ZINC000336699266 427747715 /nfs/dbraw/zinc/74/77/15/427747715.db2.gz JJBBYDTZYUYSRT-ZJUUUORDSA-N 2 0 301.228 2.703 20 0 DFADRP CN(CC[C@@H]1CCC[N@@H+]1C)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000336704739 427748891 /nfs/dbraw/zinc/74/88/91/427748891.db2.gz GVLCLJCBBJUPLP-RBUKOAKNSA-N 2 0 301.478 2.677 20 0 DFADRP c1ccc(C[NH+]2CC[C@@H]3C[N@@H+](CCOCC4CC4)C[C@H]3C2)cc1 ZINC000336713826 427749085 /nfs/dbraw/zinc/74/90/85/427749085.db2.gz NRZVKIUZBOWVJX-WOJBJXKFSA-N 2 0 314.473 2.867 20 0 DFADRP CN(CC[C@@H]1CCC[N@@H+]1C)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000336704737 427749588 /nfs/dbraw/zinc/74/95/88/427749588.db2.gz GVLCLJCBBJUPLP-OALUTQOASA-N 2 0 301.478 2.677 20 0 DFADRP CC[C@H]([NH2+]C[C@H]1CC[N@H+](Cc2ccccc2)C1)[C@H]1CCOC1 ZINC000336725086 427751239 /nfs/dbraw/zinc/75/12/39/427751239.db2.gz XPTKUZJYYSPYDE-QYZOEREBSA-N 2 0 302.462 2.913 20 0 DFADRP c1ccc(C[N@H+]2CCCN(CC[NH+]3CCCCC3)CC2)cc1 ZINC000299098715 427751402 /nfs/dbraw/zinc/75/14/02/427751402.db2.gz CPESEWJROQSFDU-UHFFFAOYSA-N 2 0 301.478 2.680 20 0 DFADRP C[C@H]([NH2+]CCCC[N@@H+]1CCC[C@H](C)C1)C(C)(C)n1cncn1 ZINC000340471090 427857367 /nfs/dbraw/zinc/85/73/67/427857367.db2.gz BQSJXMUZVRWATH-HOTGVXAUSA-N 2 0 307.486 2.503 20 0 DFADRP CC[NH+](CC)CCOC1CC[NH+](Cc2ccnn2C(C)C)CC1 ZINC000337200449 427814239 /nfs/dbraw/zinc/81/42/39/427814239.db2.gz ZRUVFRVTOFYISV-UHFFFAOYSA-N 2 0 322.497 2.787 20 0 DFADRP CC[NH+](CC)CCOCC[NH2+][C@H]1CCc2c1cccc2OC ZINC000349660929 427839650 /nfs/dbraw/zinc/83/96/50/427839650.db2.gz DFKWUESFXYCGJO-KRWDZBQOSA-N 2 0 306.450 2.631 20 0 DFADRP C[C@H](C(=O)NCC(C)(C)[NH+]1CCCCC1)[NH+]1CCCCCC1 ZINC000345674760 427853927 /nfs/dbraw/zinc/85/39/27/427853927.db2.gz YQVBYTIRBLNWDW-MRXNPFEDSA-N 2 0 309.498 2.632 20 0 DFADRP CC(C)[C@H](Cn1cccn1)[NH2+]CCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000340472561 427856163 /nfs/dbraw/zinc/85/61/63/427856163.db2.gz DMHYPZSNXPKASF-KSZLIROESA-N 2 0 306.498 2.865 20 0 DFADRP CC[NH+](CC)CC1CCN(C(=O)c2ccc3c[nH+]cn3c2)CC1 ZINC000339892671 427863332 /nfs/dbraw/zinc/86/33/32/427863332.db2.gz RMJSRMJTZJHTJF-UHFFFAOYSA-N 2 0 314.433 2.528 20 0 DFADRP C[C@@]1([NH3+])CCCC[C@H]1C(=O)NCCCCC[NH+]1CCCCC1 ZINC000345701736 427866541 /nfs/dbraw/zinc/86/65/41/427866541.db2.gz AYUZSDLTMLKAAY-FUHWJXTLSA-N 2 0 309.498 2.666 20 0 DFADRP Cc1ccc(C)c2c1CCC[C@H]2[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000349810488 427868896 /nfs/dbraw/zinc/86/88/96/427868896.db2.gz BUXNWNOKHGFOLB-FUHWJXTLSA-N 2 0 302.462 2.727 20 0 DFADRP CC[NH+](CC)[C@@H](CNC(=O)c1ccc2c[nH+]cn2c1)CC(C)C ZINC000339930969 427877308 /nfs/dbraw/zinc/87/73/08/427877308.db2.gz DGZPUPUZWRUNLG-QGZVFWFLSA-N 2 0 316.449 2.821 20 0 DFADRP Cc1cc([C@@H](C)[NH2+]CC2CC[NH+](CCN(C)C)CC2)oc1C ZINC000337390614 427882683 /nfs/dbraw/zinc/88/26/83/427882683.db2.gz KNIRSLRWHXGTSY-OAHLLOKOSA-N 2 0 307.482 2.821 20 0 DFADRP CC[NH+]1CCN(c2ccc(C[NH2+][C@H]3CCC34CCC4)cn2)CC1 ZINC000337406150 427889031 /nfs/dbraw/zinc/88/90/31/427889031.db2.gz SPZURQSTNXXRMZ-KRWDZBQOSA-N 2 0 314.477 2.646 20 0 DFADRP CC[C@H](C(=O)N[C@@H](C)C[N@H+]1C[C@H](C)C[C@H](C)C1)[NH+](CC)CC ZINC000345790907 427907931 /nfs/dbraw/zinc/90/79/31/427907931.db2.gz HHVSNXUWPCRTFR-VVLHAWIVSA-N 2 0 311.514 2.589 20 0 DFADRP COCC[C@@H]1CCC[C@@H]1[NH2+]CCCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000337469989 427919633 /nfs/dbraw/zinc/91/96/33/427919633.db2.gz NEEIEGLOBKNXAR-BDXSIMOUSA-N 2 0 312.498 2.671 20 0 DFADRP COC(C)(C)[C@@H](C)[NH2+]Cc1ccc(OCCC[NH+](C)C)cc1 ZINC000340225735 427959670 /nfs/dbraw/zinc/95/96/70/427959670.db2.gz BYAMNSGXTFRNNV-OAHLLOKOSA-N 2 0 308.466 2.920 20 0 DFADRP C[C@@H]1[C@@H]([NH2+]C[C@](C)(O)C2CC2)CCCN1Cc1ccccc1 ZINC000340234951 427961786 /nfs/dbraw/zinc/96/17/86/427961786.db2.gz HBROWXXYMMZUKL-MNEFBYGVSA-N 2 0 302.462 2.790 20 0 DFADRP CC[N@H+]1C[C@H](N[C@@H](C[NH+]2CCCC2)c2ccccc2)[C@@H](C)C1 ZINC000359662557 427962250 /nfs/dbraw/zinc/96/22/50/427962250.db2.gz RMBKJPPBADGNDT-WDSOQIARSA-N 2 0 301.478 2.753 20 0 DFADRP C[C@H](C[NH2+][C@H](C)CCCC(F)(F)F)CN1CC[NH+](C)CC1 ZINC000359662337 427962657 /nfs/dbraw/zinc/96/26/57/427962657.db2.gz JQKTVZOKNNSELL-ZIAGYGMSSA-N 2 0 309.420 2.581 20 0 DFADRP CC[C@H](C[NH2+][C@H]1CC[N@H+](C)C[C@H]1C)N1CCc2ccccc2C1 ZINC000359662330 427963655 /nfs/dbraw/zinc/96/36/55/427963655.db2.gz JPBQATXCEQDLFV-AHRSYUTCSA-N 2 0 315.505 2.753 20 0 DFADRP C[C@@H]1[C@H]([NH2+][C@@H]2C[C@@H](O)C2(C)C)CCCN1Cc1ccccc1 ZINC000340356220 427995752 /nfs/dbraw/zinc/99/57/52/427995752.db2.gz PDRMXAUZDBMSSX-VDHUWJSZSA-N 2 0 302.462 2.789 20 0 DFADRP CCC[NH+]1CCC(N(C)C(=O)[C@@H](C)[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000413205263 427989564 /nfs/dbraw/zinc/98/95/64/427989564.db2.gz AUYKHHUJXLMRGT-OWCLPIDISA-N 2 0 309.498 2.581 20 0 DFADRP COCC[N@H+](C)CCC[NH2+][C@H]1CCC[C@@H](c2cccnc2)C1 ZINC000376738191 427991319 /nfs/dbraw/zinc/99/13/19/427991319.db2.gz SEYAKTYCUXYNTJ-AEFFLSMTSA-N 2 0 305.466 2.666 20 0 DFADRP CC(C)CC[C@H](O)C[NH+]1CCC2(C[C@@H]2C[N@H+](C)C2CC2)CC1 ZINC000369539736 427991468 /nfs/dbraw/zinc/99/14/68/427991468.db2.gz GJBIUZCKJMDESO-AEFFLSMTSA-N 2 0 308.510 2.980 20 0 DFADRP COC1(C[NH2+]Cc2ccccc2OCC[NH+](C)C)CCCC1 ZINC000359734168 427994455 /nfs/dbraw/zinc/99/44/55/427994455.db2.gz VFOVUQIKDYSTHJ-UHFFFAOYSA-N 2 0 306.450 2.676 20 0 DFADRP C[N@H+](CCCO)C1CC[NH+](C[C@H]2CCc3ccccc3C2)CC1 ZINC000359612347 427936776 /nfs/dbraw/zinc/93/67/76/427936776.db2.gz REMXHGYAXVKQEM-KRWDZBQOSA-N 2 0 316.489 2.570 20 0 DFADRP CC[NH+]1CCN(CCCC[NH2+][C@@H](C)c2cc(C)c(C)o2)CC1 ZINC000337532824 427947307 /nfs/dbraw/zinc/94/73/07/427947307.db2.gz WIIWIYYJRKVWRJ-INIZCTEOSA-N 2 0 307.482 2.965 20 0 DFADRP C[C@@H]([NH2+]Cc1cccc(OCC[NH+](C)C)c1)[C@]1(C)CCCO1 ZINC000340189072 427949922 /nfs/dbraw/zinc/94/99/22/427949922.db2.gz UNUYMWHUBZKFNZ-QAPCUYQASA-N 2 0 306.450 2.674 20 0 DFADRP C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)C1(C[NH+](C)C)CCCCC1 ZINC000346128071 428030476 /nfs/dbraw/zinc/03/04/76/428030476.db2.gz ISJSCRWHSDVELT-SJORKVTESA-N 2 0 321.509 2.584 20 0 DFADRP CSC1(C[NH+]2CCC(OCC[NH+]3CCCC3)CC2)CCC1 ZINC000356124702 428033228 /nfs/dbraw/zinc/03/32/28/428033228.db2.gz KBYCCQIMERMRAE-UHFFFAOYSA-N 2 0 312.523 2.849 20 0 DFADRP C[C@@H](C[NH+]1CCCCC1)NC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000359845950 428044308 /nfs/dbraw/zinc/04/43/08/428044308.db2.gz CJILJGOQTIMTJZ-DLBZAZTESA-N 2 0 321.509 2.632 20 0 DFADRP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+]1CCC[C@@H]2COCC[C@@H]21 ZINC000346166994 428047427 /nfs/dbraw/zinc/04/74/27/428047427.db2.gz JPVBIGAJFIBVHC-QAPCUYQASA-N 2 0 312.417 2.577 20 0 DFADRP C[N@@H+]1CCC[C@H]2C[NH+](Cc3cc(-n4ccnc4)cs3)CC[C@@H]21 ZINC000346170996 428050031 /nfs/dbraw/zinc/05/00/31/428050031.db2.gz NOAMEHLEBHYNIK-YOEHRIQHSA-N 2 0 316.474 2.850 20 0 DFADRP CCC(C)(C)[NH2+][C@@H](C)C(=O)N1CCC[C@H]1C[NH+]1CCCCC1 ZINC000356171395 428051599 /nfs/dbraw/zinc/05/15/99/428051599.db2.gz RLMCONIOLBINAD-HOTGVXAUSA-N 2 0 309.498 2.630 20 0 DFADRP Fc1ccc(CC[NH2+]CCCC[NH+]2CCOCC2)c(Cl)c1 ZINC000356171458 428052553 /nfs/dbraw/zinc/05/25/53/428052553.db2.gz ARSGVEAZIJPYEI-UHFFFAOYSA-N 2 0 314.832 2.724 20 0 DFADRP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+](C)CCC1CCOCC1 ZINC000346184924 428058548 /nfs/dbraw/zinc/05/85/48/428058548.db2.gz XXUNSPIIVKQPNP-UHFFFAOYSA-N 2 0 314.433 2.824 20 0 DFADRP COC[C@@H]1CCCN(Cc2nc3c(s2)C[N@@H+](C(C)C)CC3)C1 ZINC000346210748 428071828 /nfs/dbraw/zinc/07/18/28/428071828.db2.gz VZZCQGKOCMPSLJ-CQSZACIVSA-N 2 0 323.506 2.768 20 0 DFADRP C[N@H+](CCNC(=O)[C@@H]1CC[NH+](C2CCCCC2)C1)C1CCCC1 ZINC000370075409 428127321 /nfs/dbraw/zinc/12/73/21/428127321.db2.gz AIAJHIHPLRMUQE-MRXNPFEDSA-N 2 0 321.509 2.632 20 0 DFADRP C[C@H]1CCCC[C@@H]1C[N@@H+]1CCCN(Cc2nccn2C)CC1 ZINC000369917071 428088169 /nfs/dbraw/zinc/08/81/69/428088169.db2.gz ASALHDJNYGNNAF-DLBZAZTESA-N 2 0 304.482 2.754 20 0 DFADRP CCCCNC(=O)CC[N@@H+]1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000341536052 428093989 /nfs/dbraw/zinc/09/39/89/428093989.db2.gz TYPMQORRCYXXEZ-SFHVURJKSA-N 2 0 323.525 2.737 20 0 DFADRP CC[NH+]1CCC(NC[C@H](c2ccc(C)o2)[NH+]2CCCC2)CC1 ZINC000359968449 428098255 /nfs/dbraw/zinc/09/82/55/428098255.db2.gz PXMCXOCXRDHFTA-QGZVFWFLSA-N 2 0 305.466 2.799 20 0 DFADRP c1cnc2sc(CN3CC[C@@H](C[NH+]4CCCCC4)C3)nc2c1 ZINC000341571791 428110050 /nfs/dbraw/zinc/11/00/50/428110050.db2.gz YMZGNAXGEVGCPS-AWEZNQCLSA-N 2 0 316.474 2.999 20 0 DFADRP C[NH+]1[C@@H]2CC[C@H]1CC(NC[C@@H]1CC[N@@H+](C)[C@@H]1c1ccccc1)C2 ZINC000377358322 428113855 /nfs/dbraw/zinc/11/38/55/428113855.db2.gz NCVYLYLYVCSZKI-FCFHUKJJSA-N 2 0 313.489 2.894 20 0 DFADRP C[NH+](C)CC1CC[NH+](Cc2ccc3c(c2)OC(F)(F)O3)CC1 ZINC000351859559 428114663 /nfs/dbraw/zinc/11/46/63/428114663.db2.gz XHFFDSGNTKMLRH-UHFFFAOYSA-N 2 0 312.360 2.782 20 0 DFADRP C[N@@H+](CCc1ccc2c(c1)OCCO2)CC[C@H]1CCCC[NH+]1C ZINC000360027362 428123635 /nfs/dbraw/zinc/12/36/35/428123635.db2.gz IIYPDJZUVUSOGV-QGZVFWFLSA-N 2 0 318.461 2.807 20 0 DFADRP CCC[N@@H+]1CC[C@@H](C[NH2+]Cc2ccccc2-c2ccnn2C)C1 ZINC000352211926 428128726 /nfs/dbraw/zinc/12/87/26/428128726.db2.gz MQMZJKCSPIHBRT-INIZCTEOSA-N 2 0 312.461 2.909 20 0 DFADRP CC[N@@H+]1CC[C@H](N(C)C(=O)[C@@H](C)[NH+]2CCCCCC2)C[C@H]1C ZINC000346346628 428135826 /nfs/dbraw/zinc/13/58/26/428135826.db2.gz XHYPTOSUIVEJBK-ZACQAIPSSA-N 2 0 309.498 2.582 20 0 DFADRP CSC1(C[NH2+]CCCc2cnccc2C)CC[NH+](C)CC1 ZINC000356352606 428137963 /nfs/dbraw/zinc/13/79/63/428137963.db2.gz BUSMZVMLCLQCBS-UHFFFAOYSA-N 2 0 307.507 2.740 20 0 DFADRP C[C@@H]([NH2+]CCCN1CC[NH+](Cc2ccccc2)CC1)C1(C)CC1 ZINC000360071288 428144148 /nfs/dbraw/zinc/14/41/48/428144148.db2.gz JQFPKINSSBLIJC-GOSISDBHSA-N 2 0 315.505 2.973 20 0 DFADRP C[C@H](O)c1ncc(CN2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)s1 ZINC000377549230 428155014 /nfs/dbraw/zinc/15/50/14/428155014.db2.gz KHHJETZCLOSMHX-HEHGZKQESA-N 2 0 321.490 2.645 20 0 DFADRP CC(C)[NH+]1CCN([C@H]2CC[N@H+](CCSC(C)(C)C)C2)CC1 ZINC000370284690 428173449 /nfs/dbraw/zinc/17/34/49/428173449.db2.gz FXFUURCPMQKOCP-INIZCTEOSA-N 2 0 313.555 2.618 20 0 DFADRP COc1ccc(C[C@@H](C)[NH2+]C2CC[NH+](C(C)(C)C)CC2)cn1 ZINC000414096510 428205219 /nfs/dbraw/zinc/20/52/19/428205219.db2.gz OQSSMKRGEWCOII-CQSZACIVSA-N 2 0 305.466 2.874 20 0 DFADRP CC[C@H](C)[C@@H](C)C(=O)N(CC[NH+](C)C)C[C@H]1CCC[N@@H+]1CC ZINC000356498857 428205478 /nfs/dbraw/zinc/20/54/78/428205478.db2.gz ACQPWVPBVTUEHC-GVDBMIGSSA-N 2 0 311.514 2.543 20 0 DFADRP COc1ccc(C[C@H](C)[NH2+]C[C@@H]2CCC[N@H+](CC(C)C)C2)cn1 ZINC000414097469 428205875 /nfs/dbraw/zinc/20/58/75/428205875.db2.gz JCCQGVWQDSNWIC-WMZOPIPTSA-N 2 0 319.493 2.979 20 0 DFADRP C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1[NH2+]CC1(C)COC1 ZINC000346530063 428206857 /nfs/dbraw/zinc/20/68/57/428206857.db2.gz QOKMPHLTRYODOW-HOTGVXAUSA-N 2 0 302.462 2.769 20 0 DFADRP CC[C@H]([NH2+]CC1(N2CCCCC2)CC[NH+](C)CC1)[C@@H]1C[C@H]1C ZINC000414111707 428209744 /nfs/dbraw/zinc/20/97/44/428209744.db2.gz MSQUNYKGYVWFOT-KURKYZTESA-N 2 0 307.526 2.961 20 0 DFADRP C[NH+](C)[C@@H](CNc1cc[nH+]cc1-c1cccnc1)c1ccco1 ZINC000370468464 428216105 /nfs/dbraw/zinc/21/61/05/428216105.db2.gz LIQCCQCSEXMIPV-KRWDZBQOSA-N 2 0 308.385 2.873 20 0 DFADRP COCC[NH+]1CCC(NCc2ncoc2-c2ccccc2)CC1 ZINC000360240507 428217195 /nfs/dbraw/zinc/21/71/95/428217195.db2.gz VQJASXKIFRAVGC-UHFFFAOYSA-N 2 0 315.417 2.542 20 0 DFADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CCC(C)(C)OC)[C@@H](C)C1 ZINC000346559219 428217244 /nfs/dbraw/zinc/21/72/44/428217244.db2.gz JGRQUKFERQDADC-JKSUJKDBSA-N 2 0 300.487 2.528 20 0 DFADRP Cc1ccc(C[C@@H]([NH2+]C[C@H](O)C[NH+]2CCCC2)C(C)C)cc1 ZINC000360244101 428220558 /nfs/dbraw/zinc/22/05/58/428220558.db2.gz ZJOYJXWSZOXICK-RBUKOAKNSA-N 2 0 304.478 2.608 20 0 DFADRP COc1c(O)cccc1C[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000352725936 428221369 /nfs/dbraw/zinc/22/13/69/428221369.db2.gz RQYLBZWSFHLKLY-UHFFFAOYSA-N 2 0 304.434 2.709 20 0 DFADRP Cn1nccc1[C@H]1CCC[C@H]([NH2+]CC[C@H]2CCC[N@H+](C)C2)C1 ZINC000414172741 428225093 /nfs/dbraw/zinc/22/50/93/428225093.db2.gz FGCFVWINFCKNPW-IKGGRYGDSA-N 2 0 304.482 2.768 20 0 DFADRP C[N@@H+]1CCCC[C@H]1CN1CC[NH+](CCSC(C)(C)C)CC1 ZINC000370505919 428227664 /nfs/dbraw/zinc/22/76/64/428227664.db2.gz ADBCTIQEEWOQGE-INIZCTEOSA-N 2 0 313.555 2.620 20 0 DFADRP C[C@H]([NH2+]CC[C@@H]1CCC[N@H+](C)C1)c1cccc(-n2ccnn2)c1 ZINC000414187206 428231261 /nfs/dbraw/zinc/23/12/61/428231261.db2.gz PRCLPILEUIFIJO-HOTGVXAUSA-N 2 0 313.449 2.650 20 0 DFADRP COc1cccc2c1C[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@@H]3CCC[C@@H]31)C2 ZINC000414203525 428232933 /nfs/dbraw/zinc/23/29/33/428232933.db2.gz ZJTLQUYXAGUCGB-JOCBIADPSA-N 2 0 300.446 2.625 20 0 DFADRP C[C@H]1CC(C)(C)CC[C@H]1[NH2+]CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000360289783 428237820 /nfs/dbraw/zinc/23/78/20/428237820.db2.gz BIUAPEINPNNIIB-WMLDXEAASA-N 2 0 321.509 2.534 20 0 DFADRP COc1ccc([C@H](C)[NH2+]C[C@H](C)CN2CC[NH+](C)CC2)c(C)c1 ZINC000414062751 428194488 /nfs/dbraw/zinc/19/44/88/428194488.db2.gz CBPCCSIIAWPMBA-RDJZCZTQSA-N 2 0 319.493 2.538 20 0 DFADRP CC[C@@H]([NH2+]Cc1ccnc(N2CC[NH+](C)CC2)c1)[C@H]1CC1(C)C ZINC000414070389 428195722 /nfs/dbraw/zinc/19/57/22/428195722.db2.gz LDXNEPINSOHGRH-IAGOWNOFSA-N 2 0 316.493 2.748 20 0 DFADRP CSC1(C[N@H+](C)C[C@@H]2CCCN(C)[C@H]2c2cnn(C)c2)CC1 ZINC000377705983 428200980 /nfs/dbraw/zinc/20/09/80/428200980.db2.gz TWKDBUJCYMKWNJ-GOEBONIOSA-N 2 0 322.522 2.630 20 0 DFADRP C[C@H]1C[C@@H](C[NH3+])C[N@@H+]1Cc1c[nH]nc1-c1cccc(Cl)c1 ZINC000346671477 428265655 /nfs/dbraw/zinc/26/56/55/428265655.db2.gz JTHXTTHLNTYOEL-RYUDHWBXSA-N 2 0 304.825 2.899 20 0 DFADRP CC1=C[C@@H](C)C[C@H](C[NH2+]CC2CC[NH+](CCN(C)C)CC2)C1 ZINC000352830382 428269083 /nfs/dbraw/zinc/26/90/83/428269083.db2.gz AHDNSZIETLRSMR-APWZRJJASA-N 2 0 307.526 2.842 20 0 DFADRP CCc1ncc(C[NH2+]CC2CC[NH+](CCC(C)C)CC2)cn1 ZINC000414359160 428271540 /nfs/dbraw/zinc/27/15/40/428271540.db2.gz DLOJHJVFVJJROB-UHFFFAOYSA-N 2 0 304.482 2.887 20 0 DFADRP C[C@@H]1C[C@H](C[NH3+])C[N@@H+]1Cc1cccc(OCC(F)(F)F)c1 ZINC000346694595 428276844 /nfs/dbraw/zinc/27/68/44/428276844.db2.gz VBCWJSZBRRCRNO-DGCLKSJQSA-N 2 0 302.340 2.797 20 0 DFADRP C[C@H]([NH3+])[C@H]1CC[N@H+](Cc2c[nH]nc2-c2ccc(Cl)cc2)C1 ZINC000346695074 428277104 /nfs/dbraw/zinc/27/71/04/428277104.db2.gz YDBLGJJMWMTTHG-AAEUAGOBSA-N 2 0 304.825 2.899 20 0 DFADRP Cc1ccc(C[N@@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@@H](C)C2)c(C)c1 ZINC000370706672 428278652 /nfs/dbraw/zinc/27/86/52/428278652.db2.gz CCVVOHMTZNQXGA-ICSRJNTNSA-N 2 0 315.505 2.761 20 0 DFADRP CC[N@@H+]1CCC[C@H](C[NH2+]Cc2ccc(OC)c(OC)c2C)C1 ZINC000342027960 428282745 /nfs/dbraw/zinc/28/27/45/428282745.db2.gz QJPFUGWZVFEFPG-OAHLLOKOSA-N 2 0 306.450 2.834 20 0 DFADRP Cc1occc1C[NH2+]Cc1ccccc1C[N@@H+]1CCC[C@H]1CO ZINC000414427065 428291252 /nfs/dbraw/zinc/29/12/52/428291252.db2.gz IQWUOXZUBDIDEO-IBGZPJMESA-N 2 0 314.429 2.835 20 0 DFADRP CC1CCC([NH+]2CCC(NC(=O)[C@H]3CCC[C@H]([NH3+])C3)CC2)CC1 ZINC000370763791 428293340 /nfs/dbraw/zinc/29/33/40/428293340.db2.gz OWKCYMBXMAOREW-LPMVOBIJSA-N 2 0 321.509 2.663 20 0 DFADRP CC(C)n1cc(C[NH2+]CCCC[NH+]2C[C@H](C)C[C@@H](C)C2)nn1 ZINC000342092107 428296935 /nfs/dbraw/zinc/29/69/35/428296935.db2.gz WBELFBBJPASZCI-HZPDHXFCSA-N 2 0 307.486 2.707 20 0 DFADRP C[N@@H+]1CC[C@@H]2[C@H](CCCN2Cc2cnc([C@@H]3CCCO3)s2)C1 ZINC000377839124 428243359 /nfs/dbraw/zinc/24/33/59/428243359.db2.gz GJQQAOGBBKSQRN-BMFZPTHFSA-N 2 0 321.490 2.911 20 0 DFADRP C[N@@H+]1CC[C@H]([NH2+]CCOc2ccc(Cl)cn2)[C@H]2CCC[C@H]21 ZINC000370583277 428245445 /nfs/dbraw/zinc/24/54/45/428245445.db2.gz IVRFQTHUKAYLHF-QLFBSQMISA-N 2 0 309.841 2.576 20 0 DFADRP C[N@@H+]1CC[C@H]([NH2+]CCOc2ncccc2Cl)[C@H]2CCC[C@H]21 ZINC000370586055 428247038 /nfs/dbraw/zinc/24/70/38/428247038.db2.gz ZXPMRUSUPKEFJF-VHDGCEQUSA-N 2 0 309.841 2.576 20 0 DFADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CCC[C@H]2OC)[C@@H](C)C1 ZINC000341911455 428249872 /nfs/dbraw/zinc/24/98/72/428249872.db2.gz UTUYVZPBIXSJLX-XLAORIBOSA-N 2 0 312.498 2.528 20 0 DFADRP C[C@@H]1C[C@H](NC[C@H]2CC[NH+](C)[C@H]2c2cccs2)CC[N@@H+]1C ZINC000370620103 428253753 /nfs/dbraw/zinc/25/37/53/428253753.db2.gz KOMKAZMPNICXGC-KCYZZUKISA-N 2 0 307.507 2.813 20 0 DFADRP C[C@H]([NH2+][C@H]1CCN(C2CC[NH+](C)CC2)C1)c1ccccc1F ZINC000370623713 428257079 /nfs/dbraw/zinc/25/70/79/428257079.db2.gz BGZRYQSUCLFLMV-GJZGRUSLSA-N 2 0 305.441 2.645 20 0 DFADRP Cc1ccc([C@H](C)[NH2+][C@@H]2CCN(C3CC[NH+](C)CC3)C2)cc1 ZINC000370637198 428258893 /nfs/dbraw/zinc/25/88/93/428258893.db2.gz UDTOJMNIGLIIJD-FUHWJXTLSA-N 2 0 301.478 2.814 20 0 DFADRP C[C@H]1C[N@H+](C)CC[C@@H]1N(C)Cc1cccc2c1OC(F)(F)O2 ZINC000414444569 428298215 /nfs/dbraw/zinc/29/82/15/428298215.db2.gz QAVUSCBGOAUROT-AAEUAGOBSA-N 2 0 312.360 2.780 20 0 DFADRP CCC[N@H+](C)CC(=O)Nc1cccc(CC[NH+](C)C2CC2)c1 ZINC000342221222 428355347 /nfs/dbraw/zinc/35/53/47/428355347.db2.gz PLKOQZJIOYZSPA-UHFFFAOYSA-N 2 0 303.450 2.604 20 0 DFADRP C[C@@H]1[NH2+]CCC[C@H]1c1nc(-c2ccc(C[NH+](C)C)cc2)no1 ZINC000414620850 428355451 /nfs/dbraw/zinc/35/54/51/428355451.db2.gz LNXFQYBCVARBQW-SWLSCSKDSA-N 2 0 300.406 2.654 20 0 DFADRP COC(=O)[C@@]12C[N@H+](CC[C@@H]3CCCC[NH+]3C)C[C@@H]1CCCC2 ZINC000342135955 428315776 /nfs/dbraw/zinc/31/57/76/428315776.db2.gz UPPDMQTYMBXNQI-BQFCYCMXSA-N 2 0 308.466 2.526 20 0 DFADRP COC[C@H]([NH2+][C@@H]1CCN(Cc2cnc(C)s2)C[C@@H]1C)C1CC1 ZINC000378181714 428327847 /nfs/dbraw/zinc/32/78/47/428327847.db2.gz BUMRZVIMYJOPPI-VUCTXSBTSA-N 2 0 323.506 2.677 20 0 DFADRP c1cc2c(c([C@@H]3CCC[N@H+]3C[C@H]3CCC[NH2+]C3)c1)OCCO2 ZINC000346825096 428330814 /nfs/dbraw/zinc/33/08/14/428330814.db2.gz ANVQMNUYKQVDNU-HOCLYGCPSA-N 2 0 302.418 2.594 20 0 DFADRP Cn1cc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)c(-c2cccs2)n1 ZINC000346824058 428332061 /nfs/dbraw/zinc/33/20/61/428332061.db2.gz KWIOQPTWQGRQHE-CFVMTHIKSA-N 2 0 316.474 2.708 20 0 DFADRP Cc1cccc(-c2n[nH]cc2C[N@@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)c1 ZINC000346833671 428337704 /nfs/dbraw/zinc/33/77/04/428337704.db2.gz MHKNMESRVSTDCX-SZMVWBNQSA-N 2 0 310.445 2.944 20 0 DFADRP Cn1cc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)c(-c2ccccc2)n1 ZINC000346838362 428339346 /nfs/dbraw/zinc/33/93/46/428339346.db2.gz XBGVGBWUUKMSQP-JQHSSLGASA-N 2 0 310.445 2.646 20 0 DFADRP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ccc(Oc4cnccn4)cc3)C[C@@H]21 ZINC000346839745 428340413 /nfs/dbraw/zinc/34/04/13/428340413.db2.gz SVUSKJODPMJGPB-BPQIPLTHSA-N 2 0 324.428 2.828 20 0 DFADRP C[C@@H]([NH2+]CC1CCN(c2cc[nH+]cc2)CC1)[C@@H]1CCCOC1 ZINC000356874473 428341049 /nfs/dbraw/zinc/34/10/49/428341049.db2.gz QHHBAAFCGGOJLH-NVXWUHKLSA-N 2 0 303.450 2.703 20 0 DFADRP Fc1cccc(CN(C[C@@H]2CCCO2)C[C@H]2CCC[NH2+]C2)c1 ZINC000346840505 428341596 /nfs/dbraw/zinc/34/15/96/428341596.db2.gz GDWOUMMVDCSKOJ-WMZOPIPTSA-N 2 0 306.425 2.806 20 0 DFADRP Cc1ncc(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)n1-c1ccccc1 ZINC000346844865 428342070 /nfs/dbraw/zinc/34/20/70/428342070.db2.gz LZZSBAOBNSTRBM-ZYSHUDEJSA-N 2 0 310.445 2.740 20 0 DFADRP c1ccc(CCCN2CCC[N@H+](CC3CC[NH2+]CC3)CC2)cc1 ZINC000346843900 428342394 /nfs/dbraw/zinc/34/23/94/428342394.db2.gz XZIHQEILZOYQPT-UHFFFAOYSA-N 2 0 315.505 2.627 20 0 DFADRP C[C@H]([NH2+]CC1CCN(c2cc[nH+]cc2)CC1)[C@@H]1CCCOC1 ZINC000356874472 428343178 /nfs/dbraw/zinc/34/31/78/428343178.db2.gz QHHBAAFCGGOJLH-DOTOQJQBSA-N 2 0 303.450 2.703 20 0 DFADRP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](Cc3c[nH]nc3-c3ccccc3F)C[C@@H]21 ZINC000346846263 428344048 /nfs/dbraw/zinc/34/40/48/428344048.db2.gz NTSFERSVQWBSAR-ISTRZQFTSA-N 2 0 314.408 2.775 20 0 DFADRP Cc1nn(-c2ccccc2)cc1C[N@@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000346851271 428345704 /nfs/dbraw/zinc/34/57/04/428345704.db2.gz VOUWFJUJISYCOX-SNRMKQJTSA-N 2 0 310.445 2.740 20 0 DFADRP COc1cc2c(c(C[N@@H+]3C[C@@H]4CCC[C@H]([NH3+])[C@H]4C3)c1)O[C@@H](C)C2 ZINC000346848949 428345930 /nfs/dbraw/zinc/34/59/30/428345930.db2.gz FTICCJXVLFVAMK-LUVWLHFXSA-N 2 0 316.445 2.578 20 0 DFADRP Clc1ccc(CN2CCC[N@H+](C[C@H]3CCC[NH2+]C3)CC2)cc1 ZINC000346852760 428347575 /nfs/dbraw/zinc/34/75/75/428347575.db2.gz XJFQVDBOGBQSMR-KRWDZBQOSA-N 2 0 321.896 2.847 20 0 DFADRP CCc1ccc([C@@H]2CNCC[N@@H+]2C[C@@H]2CC[NH2+][C@H](C)C2)cc1 ZINC000414728563 428388296 /nfs/dbraw/zinc/38/82/96/428388296.db2.gz CHIXDLAPSPBCRQ-SUMDDJOVSA-N 2 0 301.478 2.583 20 0 DFADRP CCc1ccc([C@@H]2CNCC[N@@H+]2C[C@H]2CC[NH2+][C@@H](C)C2)cc1 ZINC000414728562 428388865 /nfs/dbraw/zinc/38/88/65/428388865.db2.gz CHIXDLAPSPBCRQ-IEZWGBDMSA-N 2 0 301.478 2.583 20 0 DFADRP Cc1cnccc1OC1CC[NH+](C[C@@H]2CC[NH2+][C@H](C)C2)CC1 ZINC000414740389 428389556 /nfs/dbraw/zinc/38/95/56/428389556.db2.gz LFMUYOJJFXMZQU-HZPDHXFCSA-N 2 0 303.450 2.621 20 0 DFADRP Clc1ccc(-c2n[nH]cc2CN2CC[C@@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC000357103884 428390197 /nfs/dbraw/zinc/39/01/97/428390197.db2.gz JSJXCBOTWMAFIU-ZIAGYGMSSA-N 2 0 316.836 2.771 20 0 DFADRP C[C@@H]1C[C@H](CN2CC[NH2+]C[C@H]2c2cccc(Cl)c2)CC[NH2+]1 ZINC000414739234 428390240 /nfs/dbraw/zinc/39/02/40/428390240.db2.gz PWQQDGLNJVBZAG-CPUCHLNUSA-N 2 0 307.869 2.674 20 0 DFADRP CC(C)[NH+]1CCC([NH2+]C2CCN(c3nccs3)CC2)CC1 ZINC000378407533 428390811 /nfs/dbraw/zinc/39/08/11/428390811.db2.gz XIUXPQAUDLBICV-UHFFFAOYSA-N 2 0 308.495 2.574 20 0 DFADRP C[C@H]1CC[C@H](C)[NH+]1CC(=O)NCCCCC[NH+]1CCCCC1 ZINC000346978388 428391363 /nfs/dbraw/zinc/39/13/63/428391363.db2.gz LELHSZJDCORZIT-IRXDYDNUSA-N 2 0 309.498 2.632 20 0 DFADRP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NCCCCC[NH+]1CCCCC1 ZINC000346978382 428391432 /nfs/dbraw/zinc/39/14/32/428391432.db2.gz LELHSZJDCORZIT-IAGOWNOFSA-N 2 0 309.498 2.632 20 0 DFADRP C[C@@H]1CCC[C@@H]([NH+]2CCC([NH2+][C@@H]3CCc4nccn4C3)CC2)C1 ZINC000371482576 428391403 /nfs/dbraw/zinc/39/14/03/428391403.db2.gz YZVTUKNCEDUYRH-KBAYOESNSA-N 2 0 316.493 2.831 20 0 DFADRP [NH3+]CC(=O)N1CCC[C@H](C[N@@H+]2CCCC3(CCCCC3)CC2)C1 ZINC000414746095 428393863 /nfs/dbraw/zinc/39/38/63/428393863.db2.gz QCUCFUWDRUIVJZ-QGZVFWFLSA-N 2 0 321.509 2.620 20 0 DFADRP C[C@@H]1C[C@@H](C[NH+]2CCC(c3ncc4n3CCCC4)CC2)CC[NH2+]1 ZINC000414756475 428394300 /nfs/dbraw/zinc/39/43/00/428394300.db2.gz JRSKYNDVLUECIL-CVEARBPZSA-N 2 0 316.493 2.787 20 0 DFADRP CCC(C)(C)[NH2+][C@H](C)C(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000357117100 428396697 /nfs/dbraw/zinc/39/66/97/428396697.db2.gz CFIKJTSKQHNDRY-BFYDXBDKSA-N 2 0 321.509 2.628 20 0 DFADRP [NH3+][C@@H]1CCO[C@H]1C1CC[NH+](C/C=C\c2ccc(F)cc2F)CC1 ZINC000414767086 428396819 /nfs/dbraw/zinc/39/68/19/428396819.db2.gz FPLJKAQYWXJCPS-ZSCXUVNLSA-N 2 0 322.399 2.806 20 0 DFADRP C[N@@H+]1CCC[C@@H]1CCN1CCC[C@@]2(C1)OCc1ccccc12 ZINC000360684757 428398431 /nfs/dbraw/zinc/39/84/31/428398431.db2.gz GXSKPQZDIQHBGZ-MJGOQNOKSA-N 2 0 300.446 2.992 20 0 DFADRP Fc1ccc(-c2n[nH]cc2C[N@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)cc1 ZINC000414764416 428398751 /nfs/dbraw/zinc/39/87/51/428398751.db2.gz DJVCWFWPWABUOR-GASCZTMLSA-N 2 0 314.408 2.647 20 0 DFADRP CCCn1c2ccccc2nc1C[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000414773112 428400159 /nfs/dbraw/zinc/40/01/59/428400159.db2.gz WGHOTGFJAJTHBS-IYBDPMFKSA-N 2 0 312.461 2.878 20 0 DFADRP C[C@@H]1C[N@H+](CCCC2CCCC2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000360689029 428400883 /nfs/dbraw/zinc/40/08/83/428400883.db2.gz DPNYVZXGKGNOBR-MJGOQNOKSA-N 2 0 307.526 2.915 20 0 DFADRP Clc1ccc2ncc(C[N@@H+]3CCC[C@@H]([C@H]4CC[NH2+]C4)C3)n2c1 ZINC000414772634 428401524 /nfs/dbraw/zinc/40/15/24/428401524.db2.gz CHSQZDDZFZMYND-UONOGXRCSA-N 2 0 318.852 2.809 20 0 DFADRP Cn1cc(C[N@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)c(-c2ccccc2)n1 ZINC000414774596 428401767 /nfs/dbraw/zinc/40/17/67/428401767.db2.gz YNDWTPXRPXKDIH-CALCHBBNSA-N 2 0 310.445 2.519 20 0 DFADRP c1cc(-c2n[nH]cc2C[N@@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)cs1 ZINC000414774618 428402426 /nfs/dbraw/zinc/40/24/26/428402426.db2.gz FMZVKKUSAIMANY-KBPBESRZSA-N 2 0 316.474 2.960 20 0 DFADRP [NH3+]C[C@@H]1C[N@H+](C/C=C/c2ccc(F)cc2F)CC12CCOCC2 ZINC000414780915 428404249 /nfs/dbraw/zinc/40/42/49/428404249.db2.gz MDKNMEKRCFFISA-BGTMTDRBSA-N 2 0 322.399 2.665 20 0 DFADRP Cc1ccc(-c2n[nH]cc2C[N@@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)o1 ZINC000414776715 428404508 /nfs/dbraw/zinc/40/45/08/428404508.db2.gz HNFYDPFMRQBGSS-LSDHHAIUSA-N 2 0 314.433 2.800 20 0 DFADRP O[C@@H]1C[NH2+]C[C@@H]1C[NH2+]Cc1ccc(-c2ccc(Cl)cc2)s1 ZINC000414780591 428404542 /nfs/dbraw/zinc/40/45/42/428404542.db2.gz GXCKVGATCJMBPB-SWLSCSKDSA-N 2 0 322.861 2.738 20 0 DFADRP C[C@@H](CC(C)(C)c1ccccc1)[NH2+]CCCN1CC[NH2+]CC1 ZINC000414780546 428404999 /nfs/dbraw/zinc/40/49/99/428404999.db2.gz LPUAAAMTNNAAHN-KRWDZBQOSA-N 2 0 303.494 2.628 20 0 DFADRP C[C@@H]1C[C@H]([NH2+]CCCN2CC[NH2+]CC2)C[C@@H](c2ccccc2)C1 ZINC000414775856 428405498 /nfs/dbraw/zinc/40/54/98/428405498.db2.gz DNIBZXICMUQWER-IHPCNDPISA-N 2 0 315.505 2.844 20 0 DFADRP c1cnn(-c2cccc(C[N@@H+]3CCC[C@@H]([C@@H]4CC[NH2+]C4)C3)c2)c1 ZINC000414781839 428406125 /nfs/dbraw/zinc/40/61/25/428406125.db2.gz NMLWYGVKNMOGJF-QZTJIDSGSA-N 2 0 310.445 2.694 20 0 DFADRP c1cnn(-c2cccc(C[N@@H+]3CCC[C@H]([C@@H]4CC[NH2+]C4)C3)c2)c1 ZINC000414781838 428406504 /nfs/dbraw/zinc/40/65/04/428406504.db2.gz NMLWYGVKNMOGJF-MSOLQXFVSA-N 2 0 310.445 2.694 20 0 DFADRP CC[C@@H]1CCC[C@@H](C[NH+]2CCN([C@H]3CCC[N@H+](C)C3)CC2)C1 ZINC000371836340 428407150 /nfs/dbraw/zinc/40/71/50/428407150.db2.gz YNVUMHILKBXXGI-QRVBRYPASA-N 2 0 307.526 2.915 20 0 DFADRP c1cn(-c2ccccc2)c(C[N@@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)n1 ZINC000414784080 428407495 /nfs/dbraw/zinc/40/74/95/428407495.db2.gz QSYRBKRXXXRLRA-IAGOWNOFSA-N 2 0 310.445 2.694 20 0 DFADRP c1cn(-c2ccccc2)nc1C[N@@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000414787735 428409556 /nfs/dbraw/zinc/40/95/56/428409556.db2.gz VXWFQVAMNWDGGE-DLBZAZTESA-N 2 0 310.445 2.694 20 0 DFADRP Brc1ccc(C[N@@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)nc1 ZINC000414785742 428409929 /nfs/dbraw/zinc/40/99/29/428409929.db2.gz TVTFQRDGLMIDQU-QWHCGFSZSA-N 2 0 324.266 2.666 20 0 DFADRP CC(C)Cc1ncc(C[N@@H+]2C[C@@H](C[NH3+])C3(C2)CCOCC3)s1 ZINC000414787825 428411057 /nfs/dbraw/zinc/41/10/57/428411057.db2.gz WCFMMLZTLHUMDW-CQSZACIVSA-N 2 0 323.506 2.529 20 0 DFADRP c1cn2c(n1)CC[C@H]([NH2+][C@@H](c1ccccc1)c1ccccn1)C2 ZINC000378492906 428411149 /nfs/dbraw/zinc/41/11/49/428411149.db2.gz HPOYRFAXFIRUGB-LPHOPBHVSA-N 2 0 304.397 2.972 20 0 DFADRP [NH3+][C@@H]1CCO[C@H]1C1CC[NH+](Cc2cc3ccccc3o2)CC1 ZINC000414789449 428411291 /nfs/dbraw/zinc/41/12/91/428411291.db2.gz OKRHMIXYHNYCHP-AEFFLSMTSA-N 2 0 300.402 2.761 20 0 DFADRP [NH3+]C[C@H]1CCC[C@H]1[NH2+]Cc1ccc(OCC(F)(F)F)c(F)c1 ZINC000414796337 428412968 /nfs/dbraw/zinc/41/29/68/428412968.db2.gz HOIXSBZMMQHBEN-DGCLKSJQSA-N 2 0 320.330 2.984 20 0 DFADRP C[C@H](CC(=O)Nc1cccc(F)c1)[NH2+][C@H]1CCCC[C@@H]1C[NH3+] ZINC000414790845 428413003 /nfs/dbraw/zinc/41/30/03/428413003.db2.gz ALJZCJOGHUNDBC-IOASZLSFSA-N 2 0 307.413 2.650 20 0 DFADRP [NH3+]C1(c2noc(Cc3cncn3Cc3ccccc3)n2)CCCC1 ZINC000414632222 428360840 /nfs/dbraw/zinc/36/08/40/428360840.db2.gz ZEXPVDIGJXPNBS-UHFFFAOYSA-N 2 0 323.400 2.633 20 0 DFADRP COc1ccc(C[NH2+][C@H]2CCCC[C@@H]2C[NH3+])c(Cl)c1OC ZINC000414792012 428413378 /nfs/dbraw/zinc/41/33/78/428413378.db2.gz BUEVUAOWEIXNEO-YPMHNXCESA-N 2 0 312.841 2.964 20 0 DFADRP C[C@H]1C[C@H]([NH2+]C[C@H]2CCOC[C@H]2C)CN1Cc1ccccc1 ZINC000353049451 428368081 /nfs/dbraw/zinc/36/80/81/428368081.db2.gz SSMKYDDRUMKXJH-JFRXWTBNSA-N 2 0 302.462 2.912 20 0 DFADRP CC(C)(C)[NH2+]CCN1CCC[N@H+](Cc2ccc(F)cc2)CC1 ZINC000414679516 428372963 /nfs/dbraw/zinc/37/29/63/428372963.db2.gz LNBYDMJVWLTSMQ-UHFFFAOYSA-N 2 0 307.457 2.722 20 0 DFADRP CC(C)[NH+](CCN(C)C(=O)[C@H]1CCC[N@@H+]1C1CCCC1)C(C)C ZINC000357050633 428373983 /nfs/dbraw/zinc/37/39/83/428373983.db2.gz BTRLNXQZIGURAF-GOSISDBHSA-N 2 0 323.525 2.971 20 0 DFADRP C[C@H]1C[C@@H](CN2CCC[N@H+](CC3CCCCC3)CC2)CC[NH2+]1 ZINC000414688837 428376264 /nfs/dbraw/zinc/37/62/64/428376264.db2.gz JSVQAVPKJMWFHU-HKUYNNGSSA-N 2 0 307.526 2.963 20 0 DFADRP Cc1ccc(C)c(NC(=O)C[NH+]2CCC([C@@H]3CC[NH2+]C3)CC2)c1 ZINC000357065999 428376726 /nfs/dbraw/zinc/37/67/26/428376726.db2.gz BDEJKKRVTPXGRC-QGZVFWFLSA-N 2 0 315.461 2.563 20 0 DFADRP CC1CC[NH+](C[C@@H]2CCC[N@H+](C[C@H]3CC[NH2+][C@@H](C)C3)C2)CC1 ZINC000414700872 428379369 /nfs/dbraw/zinc/37/93/69/428379369.db2.gz ZWRSXPRXBWMCGB-FHWLQOOXSA-N 3 0 307.526 2.818 20 0 DFADRP CC[NH+](CC)CCN(CCC(F)(F)F)C[C@H]1CC[NH2+][C@H](C)C1 ZINC000414710408 428383308 /nfs/dbraw/zinc/38/33/08/428383308.db2.gz QYYMOIQELXZFGE-CABCVRRESA-N 2 0 323.447 2.971 20 0 DFADRP c1cc(C[NH+]2CCC([C@@H]3CC[NH2+]C3)CC2)c2c(c1)OCCCO2 ZINC000357091735 428383524 /nfs/dbraw/zinc/38/35/24/428383524.db2.gz WQYXDXQKMGWQJB-MRXNPFEDSA-N 2 0 316.445 2.669 20 0 DFADRP CN(CC[NH2+]C(C)(C)C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000414719337 428385236 /nfs/dbraw/zinc/38/52/36/428385236.db2.gz XXTDUNHYBGXQGL-UHFFFAOYSA-N 2 0 304.482 2.618 20 0 DFADRP C[C@H]([NH3+])[C@H]1CCCN(Cc2cnn(-c3ccc(F)cc3)c2)C1 ZINC000347078589 428434471 /nfs/dbraw/zinc/43/44/71/428434471.db2.gz WCIZIFZAIXTWNR-ZFWWWQNUSA-N 2 0 302.397 2.571 20 0 DFADRP C[C@H](CC(=O)N1CCCCCC1)[NH2+]CC1([NH3+])CCCCCC1 ZINC000414858979 428434684 /nfs/dbraw/zinc/43/46/84/428434684.db2.gz LSSUMYSEEIUXEA-MRXNPFEDSA-N 2 0 309.498 2.809 20 0 DFADRP Clc1ccc(C[NH+]2CCC(N[C@H]3CCC[NH2+]C3)CC2)cc1 ZINC000414859529 428436030 /nfs/dbraw/zinc/43/60/30/428436030.db2.gz BABIWEFMGCTHHX-KRWDZBQOSA-N 2 0 307.869 2.646 20 0 DFADRP COc1cc(C[NH2+][C@H](C)[C@@H]2CCC[NH2+]C2)ccc1OC(C)C ZINC000414858685 428436095 /nfs/dbraw/zinc/43/60/95/428436095.db2.gz SIBFTEFINLZLHG-GDBMZVCRSA-N 2 0 306.450 2.960 20 0 DFADRP CSC1(C[NH2+]Cc2cnc3cccc(C)n23)CC[NH+](C)CC1 ZINC000353216555 428436908 /nfs/dbraw/zinc/43/69/08/428436908.db2.gz GWKGMWVOMQGOJT-UHFFFAOYSA-N 2 0 318.490 2.560 20 0 DFADRP CCOC(=O)[C@@H](CC(C)C)N1CC[C@H](Oc2ccncc2)C1 ZINC000347088803 428438871 /nfs/dbraw/zinc/43/88/71/428438871.db2.gz NHMFEAJLZFWLFD-JKSUJKDBSA-N 2 0 306.406 2.513 20 0 DFADRP [NH3+]C[C@H]1CCC[N@H+](Cc2ccc(OCC(F)(F)F)cc2)C1 ZINC000347086922 428438953 /nfs/dbraw/zinc/43/89/53/428438953.db2.gz DBPZPOVSOHBRSZ-CYBMUJFWSA-N 2 0 302.340 2.798 20 0 DFADRP C[NH2+]CC1CC[NH+](Cc2cnn(-c3ccc(Cl)cc3)c2)CC1 ZINC000347086160 428439230 /nfs/dbraw/zinc/43/92/30/428439230.db2.gz DORMJAFZFLBENJ-UHFFFAOYSA-N 2 0 318.852 2.957 20 0 DFADRP CCC[NH2+]CCNC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000414864117 428439466 /nfs/dbraw/zinc/43/94/66/428439466.db2.gz COROJOYCJLWUPZ-YQQQUEKLSA-N 2 0 301.478 2.771 20 0 DFADRP CC(=O)Nc1ccccc1C[NH+]1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000347086909 428439471 /nfs/dbraw/zinc/43/94/71/428439471.db2.gz CXKGDCIVZITBDH-QGZVFWFLSA-N 2 0 301.434 2.609 20 0 DFADRP c1ccc2c(c1)C=C(CN1C[C@@H]3C[N@@H+]4CCCC[C@H]4[C@H]3C1)CO2 ZINC000360791576 428440120 /nfs/dbraw/zinc/44/01/20/428440120.db2.gz OGAYEABNTQUEBN-QYZOEREBSA-N 2 0 310.441 2.879 20 0 DFADRP Clc1ccc2c(c1)C[C@H]([NH2+]CCCNCc1cccnc1)C2 ZINC000414872600 428440481 /nfs/dbraw/zinc/44/04/81/428440481.db2.gz FWBZSDXRDKWVQW-GOSISDBHSA-N 2 0 315.848 2.972 20 0 DFADRP CC(C)(C)c1n[nH]cc1CN1C[C@@H]2C[N@@H+]3CCCC[C@@H]3[C@H]2C1 ZINC000360790845 428440718 /nfs/dbraw/zinc/44/07/18/428440718.db2.gz JUIGTCAZRWEQRQ-OWCLPIDISA-N 2 0 302.466 2.623 20 0 DFADRP C[C@@H](C[NH3+])C[NH2+]Cc1ccc(OC(F)F)c(Br)c1 ZINC000414878181 428441815 /nfs/dbraw/zinc/44/18/15/428441815.db2.gz NZXPXBPRIPTNGU-QMMMGPOBSA-N 2 0 323.181 2.735 20 0 DFADRP CC(C)c1ccc(NC(=O)C[C@H](C)[NH2+]CC2([NH3+])CCC2)cc1 ZINC000414870712 428442012 /nfs/dbraw/zinc/44/20/12/428442012.db2.gz CFVSQRSJXOEERB-AWEZNQCLSA-N 2 0 303.450 2.998 20 0 DFADRP c1cn(-c2csc(C[NH+]3CCC([C@@H]4CCC[NH2+]4)CC3)c2)cn1 ZINC000347095881 428443149 /nfs/dbraw/zinc/44/31/49/428443149.db2.gz HXOHFKDRWQUBPJ-KRWDZBQOSA-N 2 0 316.474 2.898 20 0 DFADRP Cc1ccc(NC(=O)C[C@H](C)[NH2+]C[C@H]([NH3+])C2CC2)cc1Cl ZINC000414881545 428443610 /nfs/dbraw/zinc/44/36/10/428443610.db2.gz AOXFTWWRYDPAHP-NHYWBVRUSA-N 2 0 309.841 2.692 20 0 DFADRP CC[N@@H+]1CC[C@H](CN[C@@H](C)[C@@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC000357225745 428444162 /nfs/dbraw/zinc/44/41/62/428444162.db2.gz BLKSBECMQJIWDK-DFQSSKMNSA-N 2 0 315.505 2.828 20 0 DFADRP C[C@H](C[NH3+])C[NH2+]Cc1cn(C2CCCC2)nc1-c1ccccn1 ZINC000414881094 428444623 /nfs/dbraw/zinc/44/46/23/428444623.db2.gz RYLLUZMUTBZICL-CQSZACIVSA-N 2 0 313.449 2.745 20 0 DFADRP CC(C)[N@H+](C)CCN[C@@H](C)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000357229649 428446355 /nfs/dbraw/zinc/44/63/55/428446355.db2.gz IHWHLZFJQONBFP-HKUYNNGSSA-N 2 0 303.494 2.827 20 0 DFADRP C[N@H+](Cc1ccccc1)CC(C)(C)C[NH2+]CCc1cn[nH]c1 ZINC000353245541 428446681 /nfs/dbraw/zinc/44/66/81/428446681.db2.gz XRNXPMLUXZFQEX-UHFFFAOYSA-N 2 0 300.450 2.700 20 0 DFADRP [NH3+][C@H](CNC1CC[NH+](Cc2ccccc2Cl)CC1)C1CC1 ZINC000414889768 428446712 /nfs/dbraw/zinc/44/67/12/428446712.db2.gz LRVCXSRTHKKWTE-QGZVFWFLSA-N 2 0 307.869 2.631 20 0 DFADRP COc1ccc([C@H]2CC[NH2+]C[C@@H]2NCc2ccsc2)cc1 ZINC000414893177 428446976 /nfs/dbraw/zinc/44/69/76/428446976.db2.gz YASMPHXIZAPXDB-SJORKVTESA-N 2 0 302.443 2.992 20 0 DFADRP COc1ccc(CN2CCC[C@@H](C[NH3+])C2)cc1OCC(C)C ZINC000347106610 428447102 /nfs/dbraw/zinc/44/71/02/428447102.db2.gz LXHJITBSUCUBJC-INIZCTEOSA-N 2 0 306.450 2.901 20 0 DFADRP C[C@@H](CC[NH3+])[NH2+]Cc1cccc(Br)c1OC(F)F ZINC000414897530 428448799 /nfs/dbraw/zinc/44/87/99/428448799.db2.gz RJUDKNGVTFGIKJ-QMMMGPOBSA-N 2 0 323.181 2.877 20 0 DFADRP C[C@@H](CC[NH3+])[NH2+]Cc1cc(Cl)ccc1OC[C@@H]1CCCO1 ZINC000414899473 428450445 /nfs/dbraw/zinc/45/04/45/428450445.db2.gz USPGJJRPHVPRAO-WFASDCNBSA-N 2 0 312.841 2.725 20 0 DFADRP COc1ccc2nc(C[NH2+]CC3(C)CC[NH2+]CC3)sc2c1 ZINC000414904551 428453252 /nfs/dbraw/zinc/45/32/52/428453252.db2.gz NLCRHRUWPFZXLJ-UHFFFAOYSA-N 2 0 305.447 2.784 20 0 DFADRP COc1ccc(C[NH2+][C@H]2CCC[C@@H]([NH3+])C2)cc1Br ZINC000414906939 428453280 /nfs/dbraw/zinc/45/32/80/428453280.db2.gz ABXNECBSJUTFJY-NEPJUHHUSA-N 2 0 313.239 2.817 20 0 DFADRP CC[C@H](C[NH+]1CCC([N@H+](C)C[C@H](C)O)CC1)c1ccccc1 ZINC000353260973 428455752 /nfs/dbraw/zinc/45/57/52/428455752.db2.gz PJRUGIHEYYRVRI-DLBZAZTESA-N 2 0 304.478 2.957 20 0 DFADRP Cc1ccc(Cl)cc1NC(=O)C[C@@H](C)[NH2+]C[C@H]1CC[NH2+]C1 ZINC000414917017 428457025 /nfs/dbraw/zinc/45/70/25/428457025.db2.gz QUVCRQNXZVSAIC-OLZOCXBDSA-N 2 0 309.841 2.565 20 0 DFADRP Cc1cccc(NC(=O)C[C@H](C)[NH2+]C[C@]2(C)CCC[NH2+]C2)c1C ZINC000414919147 428457782 /nfs/dbraw/zinc/45/77/82/428457782.db2.gz WGYXADVMBZCIPD-HNAYVOBHSA-N 2 0 317.477 3.000 20 0 DFADRP COc1cccc(C[NH2+][C@@H]2CCC[C@@H]([NH3+])C2)c1OC(F)F ZINC000414922150 428460980 /nfs/dbraw/zinc/46/09/80/428460980.db2.gz GMIXKMUMSZJZLC-VXGBXAGGSA-N 2 0 300.349 2.656 20 0 DFADRP [NH3+]C[C@H]1CCC[C@@H]1C(=O)NCC1([NH+]2CCCCC2)CCCCC1 ZINC000390185218 428470936 /nfs/dbraw/zinc/47/09/36/428470936.db2.gz RDYBFMFADHGPFI-SJORKVTESA-N 2 0 321.509 2.666 20 0 DFADRP Cc1cccc(NC(=O)C[C@H](C)[NH2+][C@H]2CC[NH2+][C@H](C)C2)c1C ZINC000414950943 428469491 /nfs/dbraw/zinc/46/94/91/428469491.db2.gz PFNORRVOPSDFQZ-YCPHGPKFSA-N 2 0 303.450 2.751 20 0 DFADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccc(-n2ccnc2)c(F)c1 ZINC000414804236 428415007 /nfs/dbraw/zinc/41/50/07/428415007.db2.gz OKZCLFURZAXTBG-HOCLYGCPSA-N 2 0 302.397 2.619 20 0 DFADRP C[C@@H]([NH3+])[C@@H]1CCC[N@H+](Cc2cnc(-c3ccncc3)s2)C1 ZINC000347035457 428415550 /nfs/dbraw/zinc/41/55/50/428415550.db2.gz GTNPVIQKVMFELB-TZMCWYRMSA-N 2 0 302.447 2.764 20 0 DFADRP Cc1ccc(NC(=O)C[C@@H](C)[NH2+]C[C@H]([NH3+])C(C)C)cc1Cl ZINC000414802804 428415797 /nfs/dbraw/zinc/41/57/97/428415797.db2.gz VYLGVDYXHJGXAF-DOMZBBRYSA-N 2 0 311.857 2.938 20 0 DFADRP CC(C)(C)CC(=O)N1CCC([NH2+][C@@H]2CCCC[C@H]2C[NH3+])CC1 ZINC000414804371 428417232 /nfs/dbraw/zinc/41/72/32/428417232.db2.gz OSIIFGZTRYAKLJ-GOEBONIOSA-N 2 0 309.498 2.521 20 0 DFADRP [NH3+]C[C@H]1CCCC[C@H]1[NH2+]Cc1cc(Cl)c2c(c1)OCCO2 ZINC000414804359 428417291 /nfs/dbraw/zinc/41/72/91/428417291.db2.gz OQZDHBOVQQFAIQ-TZMCWYRMSA-N 2 0 310.825 2.718 20 0 DFADRP C[C@@H]([NH3+])c1ccc(C[NH2+]Cc2ccc(N3CCCC3)nc2)cc1 ZINC000414810085 428418530 /nfs/dbraw/zinc/41/85/30/428418530.db2.gz NKTFZTLTYGAAHL-OAHLLOKOSA-N 2 0 310.445 2.991 20 0 DFADRP CCCC[C@H]([NH3+])C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000353181595 428418571 /nfs/dbraw/zinc/41/85/71/428418571.db2.gz HVCBFGWCFIJDNI-NXHRZFHOSA-N 2 0 317.477 2.673 20 0 DFADRP O=c1[nH]c2ccccc2cc1C[NH+]1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000347040188 428418661 /nfs/dbraw/zinc/41/86/61/428418661.db2.gz HQTQLTBYQYQTBU-KRWDZBQOSA-N 2 0 311.429 2.904 20 0 DFADRP C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)[C@]12C[NH2+]C[C@@H]1CCCC2 ZINC000357172560 428418659 /nfs/dbraw/zinc/41/86/59/428418659.db2.gz IMDNRSFULBGEIZ-ZIFCJYIRSA-N 2 0 321.509 2.537 20 0 DFADRP Cc1nc(COc2ccc(C[NH2+]CC[C@H](C)[NH3+])cc2)cs1 ZINC000414818044 428420641 /nfs/dbraw/zinc/42/06/41/428420641.db2.gz CNUOLLGXILWIOQ-LBPRGKRZSA-N 2 0 305.447 2.857 20 0 DFADRP CC(C)c1ccc([C@H](N)C[NH2+]Cc2ccc3c(c2)nnn3C)cc1 ZINC000414820383 428420775 /nfs/dbraw/zinc/42/07/75/428420775.db2.gz AQOHLTVPHWTXHO-QGZVFWFLSA-N 2 0 323.444 2.881 20 0 DFADRP CSc1cc(Br)ccc1C[NH2+]CC[C@H](C)[NH3+] ZINC000414817504 428420870 /nfs/dbraw/zinc/42/08/70/428420870.db2.gz ASOXGFPIWSYHMF-VIFPVBQESA-N 2 0 303.269 2.998 20 0 DFADRP C[C@@H]([NH3+])CC[NH2+]Cc1cn(-c2ccccc2)nc1-c1cccnc1 ZINC000414821224 428421006 /nfs/dbraw/zinc/42/10/06/428421006.db2.gz LAFAALGFOUUUPM-OAHLLOKOSA-N 2 0 321.428 2.761 20 0 DFADRP COc1ccc(-c2ccncc2)cc1C[NH2+][C@H]1CCC[C@H]1C[NH3+] ZINC000414812971 428421148 /nfs/dbraw/zinc/42/11/48/428421148.db2.gz XVHVSPFSSGFAFL-WMZOPIPTSA-N 2 0 311.429 2.974 20 0 DFADRP C[N@@H+]1CCC[C@@H]2C[NH+](C[C@@H](O)Cc3cccc(Cl)c3)CC[C@@H]21 ZINC000347045952 428422080 /nfs/dbraw/zinc/42/20/80/428422080.db2.gz GTVPQSVSPMSTRP-NJAFHUGGSA-N 2 0 322.880 2.660 20 0 DFADRP [NH3+]C[C@@H]1CCCC[C@@H]1NC1CC[NH+](CCc2ccccc2)CC1 ZINC000414815110 428422524 /nfs/dbraw/zinc/42/25/24/428422524.db2.gz ZYGBQWFXBSDRIM-ICSRJNTNSA-N 3 0 315.505 2.801 20 0 DFADRP C[C@H]1C[N@H+](Cc2ccc(OCC(F)(F)F)cc2)CC[C@H]1[NH3+] ZINC000347044542 428423662 /nfs/dbraw/zinc/42/36/62/428423662.db2.gz NELIODLAHSFPGG-SMDDNHRTSA-N 2 0 302.340 2.797 20 0 DFADRP Clc1ccc(-c2n[nH]cc2C[NH2+]C[C@H]2CCC[NH2+]C2)cc1 ZINC000414822930 428423853 /nfs/dbraw/zinc/42/38/53/428423853.db2.gz DAKWQUAOBHQIGR-LBPRGKRZSA-N 2 0 304.825 2.819 20 0 DFADRP C[C@@H]([NH3+])CC[NH2+][C@@H](C)Cc1ccc(Br)cc1F ZINC000414825189 428424051 /nfs/dbraw/zinc/42/40/51/428424051.db2.gz SBWZKOILDDPERT-ZJUUUORDSA-N 2 0 303.219 2.846 20 0 DFADRP C[C@@H]([NH3+])CC[NH2+]C1CCN(Cc2c(F)cccc2Cl)CC1 ZINC000414825362 428424118 /nfs/dbraw/zinc/42/41/18/428424118.db2.gz SIKUZCWZZFMJSL-GFCCVEGCSA-N 2 0 313.848 2.770 20 0 DFADRP Cc1cc(C[NH2+]C[C@H]2CCC[NH2+]C2)sc1Br ZINC000414826467 428424436 /nfs/dbraw/zinc/42/44/36/428424436.db2.gz IXQBBLKTWOHSMO-JTQLQIEISA-N 2 0 303.269 2.908 20 0 DFADRP CCc1ccccc1NC(=O)C[C@H](C)[NH2+]CC[C@@H]1CC[NH2+]C1 ZINC000414825005 428424821 /nfs/dbraw/zinc/42/48/21/428424821.db2.gz BPBRQQKZWZAJHO-GJZGRUSLSA-N 2 0 303.450 2.555 20 0 DFADRP C[C@@H]([NH3+])CC[NH2+][C@H](C)CC(=O)Nc1ccccc1C(F)(F)F ZINC000414824060 428425576 /nfs/dbraw/zinc/42/55/76/428425576.db2.gz QAZGGYKUPLHWDT-GHMZBOCLSA-N 2 0 317.355 2.749 20 0 DFADRP FC(F)(F)COc1cccc(C[NH2+]CC[C@@H]2CC[NH2+]C2)c1 ZINC000414832748 428426181 /nfs/dbraw/zinc/42/61/81/428426181.db2.gz ORLXILXGQCCMMY-LBPRGKRZSA-N 2 0 302.340 2.717 20 0 DFADRP c1ccc(COc2cccc(C[NH2+]CC[C@H]3CC[NH2+]C3)c2)nc1 ZINC000414829958 428427289 /nfs/dbraw/zinc/42/72/89/428427289.db2.gz LKBUDZICJJGBOA-MRXNPFEDSA-N 2 0 311.429 2.750 20 0 DFADRP CCOc1cc(C[NH2+]C[C@@H](C)C[NH2+]C)ccc1OC(F)F ZINC000414829112 428427360 /nfs/dbraw/zinc/42/73/60/428427360.db2.gz AOIPTWSTCKTBFU-NSHDSACASA-N 2 0 302.365 2.632 20 0 DFADRP CCCCOc1ccc(C[NH2+]C[C@H]2CCC[NH2+]C2)cc1OC ZINC000414832553 428427937 /nfs/dbraw/zinc/42/79/37/428427937.db2.gz QTVGCSYDKRQOFJ-INIZCTEOSA-N 2 0 306.450 2.963 20 0 DFADRP CCCCOc1ccc(C[NH2+]C[C@@H]2CCC[NH2+]C2)cc1OC ZINC000414832555 428428020 /nfs/dbraw/zinc/42/80/20/428428020.db2.gz QTVGCSYDKRQOFJ-MRXNPFEDSA-N 2 0 306.450 2.963 20 0 DFADRP Cc1noc(C2(C)CCN(CC[C@@H]3CCCC[N@H+]3C)CC2)n1 ZINC000378580598 428429772 /nfs/dbraw/zinc/42/97/72/428429772.db2.gz LSLAPPSJHOLXMI-HNNXBMFYSA-N 2 0 306.454 2.606 20 0 DFADRP CC[C@@H](Cc1ccc(OC)c(OC)c1)[NH2+]C[C@@H]1CCC[NH2+]C1 ZINC000414837024 428430403 /nfs/dbraw/zinc/43/04/03/428430403.db2.gz VJFQMBFDMAVLAU-CVEARBPZSA-N 2 0 306.450 2.614 20 0 DFADRP C[NH+](C)C[C@](C)(O)C[NH2+][C@H]1CCC[C@@H]1c1ccccc1Cl ZINC000368325278 273802179 /nfs/dbraw/zinc/80/21/79/273802179.db2.gz YYNOSVFLIKIDPK-HYVNUMGLSA-N 2 0 310.869 2.878 20 0 DFADRP CCc1ccccc1NC(=O)C[C@H](C)[NH2+]CC[C@@H]1CCC[NH2+]C1 ZINC000414836478 428431190 /nfs/dbraw/zinc/43/11/90/428431190.db2.gz JKXVZPFYUDMJTE-HOTGVXAUSA-N 2 0 317.477 2.945 20 0 DFADRP C[C@@H](CCc1n[nH]c2ccccc21)[NH2+]CC[C@@H]1CCC[NH2+]C1 ZINC000414848735 428431899 /nfs/dbraw/zinc/43/18/99/428431899.db2.gz XDSOVDBAJUOZAV-GJZGRUSLSA-N 2 0 300.450 2.863 20 0 DFADRP COc1cc(C[NH2+][C@@H](C)[C@H]2CCC[NH2+]C2)cc(Cl)c1OC ZINC000414847016 428432750 /nfs/dbraw/zinc/43/27/50/428432750.db2.gz FQSCTEDCDLOLIB-AAEUAGOBSA-N 2 0 312.841 2.835 20 0 DFADRP C[NH+](C)[C@H]1CCC[C@H]([NH2+]C2CCN(c3nccs3)CC2)C1 ZINC000378582828 428433036 /nfs/dbraw/zinc/43/30/36/428433036.db2.gz PKINAIGANWIOEA-GJZGRUSLSA-N 2 0 308.495 2.574 20 0 DFADRP CC(C)(C)C(=O)N1CCC([NH2+][C@H]2C[C@@H]([NH3+])c3ccccc32)CC1 ZINC000391143357 428479204 /nfs/dbraw/zinc/47/92/04/428479204.db2.gz SKOWZNSHJUXJQN-SJORKVTESA-N 2 0 315.461 2.758 20 0 DFADRP [NH3+][C@H]1CCC[C@H](C[NH2+]Cc2cnc(-c3ccccn3)s2)C1 ZINC000414986292 428479909 /nfs/dbraw/zinc/47/99/09/428479909.db2.gz BWQPTUWBGGGJBI-STQMWFEESA-N 2 0 302.447 2.812 20 0 DFADRP C[C@@H]1CN(Cc2ccccc2)C[C@H]1[NH2+]CCC[C@@H]1CCC[NH2+]1 ZINC000414978714 428480288 /nfs/dbraw/zinc/48/02/88/428480288.db2.gz UJICGPVMGLLVMT-NZSAHSFTSA-N 2 0 301.478 2.629 20 0 DFADRP C[N@H+](Cc1ccccc1)CC(C)(C)CN[C@H](CC[NH3+])C(F)F ZINC000414984148 428480800 /nfs/dbraw/zinc/48/08/00/428480800.db2.gz DCXNBBHRRLBVPI-OAHLLOKOSA-N 2 0 313.436 2.717 20 0 DFADRP Cn1c2ccc(Cl)cc2nc1C[NH2+]C[C@@H]1CCC[C@H]([NH3+])C1 ZINC000414994875 428481796 /nfs/dbraw/zinc/48/17/96/428481796.db2.gz DXSCVJVTESRERD-YPMHNXCESA-N 2 0 306.841 2.834 20 0 DFADRP C[C@@H](CCC1CCCC1)[NH2+]C[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000414995248 428482747 /nfs/dbraw/zinc/48/27/47/428482747.db2.gz VWUSLGJTBDKHGP-DZGCQCFKSA-N 2 0 321.431 2.771 20 0 DFADRP COc1cc2c(c(C[NH2+]C[C@@H]3CCC[C@@H]([NH3+])C3)c1)O[C@@H](C)C2 ZINC000415003109 428485134 /nfs/dbraw/zinc/48/51/34/428485134.db2.gz WOLVAAUFYPSCFD-WOSRLPQWSA-N 2 0 304.434 2.626 20 0 DFADRP [NH3+][C@@H]1CCC[C@@H](C[NH2+]Cc2csc(-c3ccccn3)n2)C1 ZINC000414999352 428485844 /nfs/dbraw/zinc/48/58/44/428485844.db2.gz RSPJJSBCQZMZNZ-CHWSQXEVSA-N 2 0 302.447 2.812 20 0 DFADRP Cn1c(C[NH2+][C@@H]2C[C@H]2C2CC[NH2+]CC2)nc2cc(Cl)ccc21 ZINC000415000856 428485875 /nfs/dbraw/zinc/48/58/75/428485875.db2.gz BQXABTMROQVZNF-UONOGXRCSA-N 2 0 318.852 2.704 20 0 DFADRP C[C@@H]1CN(Cc2ccccc2)C[C@@H]1[NH2+]C[C@H]1CCC[C@@H]([NH3+])C1 ZINC000415000033 428485892 /nfs/dbraw/zinc/48/58/92/428485892.db2.gz JVDHIEPCDODRSK-LULLPPNCSA-N 3 0 301.478 2.614 20 0 DFADRP c1ccc(CN2CCC([NH2+][C@@H]3C[C@H]3C3CC[NH2+]CC3)CC2)cc1 ZINC000415001005 428486635 /nfs/dbraw/zinc/48/66/35/428486635.db2.gz BWVGZMHWDIKXAB-VQTJNVASSA-N 2 0 313.489 2.629 20 0 DFADRP Cc1ccc(C[NH2+][C@@H]2C[C@H]2C2CC[NH2+]CC2)c(-c2cnn(C)c2)c1 ZINC000415005825 428487097 /nfs/dbraw/zinc/48/70/97/428487097.db2.gz JXEHKMKJVGCFHZ-VQTJNVASSA-N 2 0 324.472 2.873 20 0 DFADRP COc1cc(C[NH2+]C[C@@H]2CCC[C@H]([NH3+])C2)ccc1OC(F)F ZINC000415005953 428489196 /nfs/dbraw/zinc/48/91/96/428489196.db2.gz ZOEVVXBNOKYVAW-YPMHNXCESA-N 2 0 314.376 2.904 20 0 DFADRP CC[NH+]1CCN([C@@H]2CC[N@H+](C[C@H]3C[C@@H]3c3ccccc3)C2)CC1 ZINC000353331551 428490048 /nfs/dbraw/zinc/49/00/48/428490048.db2.gz WECITSAFIPSRJY-VAMGGRTRSA-N 2 0 313.489 2.502 20 0 DFADRP [NH3+]C[C@H]1CC[C@H](C[NH2+]Cc2ccc(N3CCCC3)nc2)CC1 ZINC000415025463 428490588 /nfs/dbraw/zinc/49/05/88/428490588.db2.gz QCDYPWGLEGPCCQ-WKILWMFISA-N 2 0 302.466 2.537 20 0 DFADRP C[C@@H](CCC[NH3+])[NH2+]C1CCN(C(=O)c2ccccc2Cl)CC1 ZINC000415025908 428490874 /nfs/dbraw/zinc/49/08/74/428490874.db2.gz SAPOATJITQAJSF-ZDUSSCGKSA-N 2 0 323.868 2.662 20 0 DFADRP [NH3+]C[C@H]1CC[C@H](C[NH2+]C2CCN(CCC(F)(F)F)CC2)CC1 ZINC000415025883 428491116 /nfs/dbraw/zinc/49/11/16/428491116.db2.gz RKPITURZNVUFHA-HDJSIYSDSA-N 2 0 321.431 2.758 20 0 DFADRP COCCOc1ccc(C[NH+]2CCC([C@H]3CCC[NH2+]3)CC2)cc1 ZINC000347203923 428491291 /nfs/dbraw/zinc/49/12/91/428491291.db2.gz LAOJDPGYEQXFNE-LJQANCHMSA-N 2 0 318.461 2.676 20 0 DFADRP CC[C@H](Cc1ccc(OC)c(OC)c1)[NH2+][C@H]1CC[C@@H](C[NH3+])C1 ZINC000415031192 428492303 /nfs/dbraw/zinc/49/23/03/428492303.db2.gz GRJODLCRXROKAJ-OAGGEKHMSA-N 2 0 306.450 2.742 20 0 DFADRP [NH3+]C[C@@H]1CC[C@H]([NH2+]Cc2c(F)cccc2Br)C1 ZINC000415029977 428492656 /nfs/dbraw/zinc/49/26/56/428492656.db2.gz FJDRAXZPWRRCCV-ZJUUUORDSA-N 2 0 301.203 2.805 20 0 DFADRP C[NH2+][C@H](CC(C)(C)C)C(=O)NCCC[N@H+](C)Cc1ccccc1 ZINC000395692613 428494695 /nfs/dbraw/zinc/49/46/95/428494695.db2.gz VLRQTPHEHIAFBG-QGZVFWFLSA-N 2 0 319.493 2.649 20 0 DFADRP COc1ccc(CC[N@@H+]2C[C@@H]3C[NH+]4CCCC[C@@H]4[C@@H]3C2)cc1 ZINC000360927741 428494869 /nfs/dbraw/zinc/49/48/69/428494869.db2.gz PGZIEXDSKOHVNE-BHIYHBOVSA-N 2 0 300.446 2.654 20 0 DFADRP COc1ccc(CC[N@@H+]2C[C@@H]3C[NH+]4CCCC[C@H]4[C@H]3C2)cc1 ZINC000360927742 428495062 /nfs/dbraw/zinc/49/50/62/428495062.db2.gz PGZIEXDSKOHVNE-NEWSRXKRSA-N 2 0 300.446 2.654 20 0 DFADRP CCOc1cc(C[NH2+][C@H]2CC[C@@H](C[NH3+])C2)cc(Cl)c1OC ZINC000415034240 428495404 /nfs/dbraw/zinc/49/54/04/428495404.db2.gz JTLHZELSKFQOSW-YPMHNXCESA-N 2 0 312.841 2.964 20 0 DFADRP CC(=O)Nc1ccc(C[N@@H+]2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)cc1 ZINC000415036699 428495506 /nfs/dbraw/zinc/49/55/06/428495506.db2.gz GCNRHWRLTDZIAS-SJLPKXTDSA-N 2 0 301.434 2.609 20 0 DFADRP COc1ccc(-c2n[nH]cc2C[N@@H+]2CCC[C@H]([C@H](C)[NH3+])C2)cc1 ZINC000347216044 428495740 /nfs/dbraw/zinc/49/57/40/428495740.db2.gz QZMNMILKIFAWRV-ZFWWWQNUSA-N 2 0 314.433 2.645 20 0 DFADRP [NH3+]C[C@H]1CC[C@H]([NH2+]Cc2c(F)ccc(Br)c2F)C1 ZINC000415038885 428495745 /nfs/dbraw/zinc/49/57/45/428495745.db2.gz NUDXPQLTXHBWRE-IUCAKERBSA-N 2 0 319.193 2.944 20 0 DFADRP C[C@H](C[NH2+]C[C@H]1C[NH2+]CCCO1)c1ccc(C(F)(F)F)cc1 ZINC000415047311 428497935 /nfs/dbraw/zinc/49/79/35/428497935.db2.gz WBFOIDMKKTUUNT-IUODEOHRSA-N 2 0 316.367 2.777 20 0 DFADRP CCOc1cc(C[NH2+][C@@H]2CC[C@H](C[NH3+])C2)ccc1OC(F)F ZINC000415044515 428498008 /nfs/dbraw/zinc/49/80/08/428498008.db2.gz STVXYDPXFUGJGZ-WCQYABFASA-N 2 0 314.376 2.904 20 0 DFADRP c1[nH+]cn2cc(-c3nc(-c4ccn5c[nH+]cc5c4)no3)ccc12 ZINC000347217930 428498426 /nfs/dbraw/zinc/49/84/26/428498426.db2.gz OEEAHKGFSGHTTO-UHFFFAOYSA-N 2 0 302.297 2.699 20 0 DFADRP C[C@@H]1C[N@H+](Cc2ccc(OC[C@@H]3CCCO3)cc2)C[C@@]1(C)C[NH3+] ZINC000415050902 428499740 /nfs/dbraw/zinc/49/97/40/428499740.db2.gz DUFMHRKOBDVICR-AYOQOUSVSA-N 2 0 318.461 2.661 20 0 DFADRP COc1ccc(C)cc1C[N@H+](C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000353361365 428499957 /nfs/dbraw/zinc/49/99/57/428499957.db2.gz UFQXHHHNSOFXHC-INIZCTEOSA-N 2 0 320.477 2.528 20 0 DFADRP COc1cc(C)c(C[N@@H+]2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)cc1OC ZINC000415052255 428500907 /nfs/dbraw/zinc/50/09/07/428500907.db2.gz MZLMFEOIIJBLAL-NVXWUHKLSA-N 2 0 318.461 2.976 20 0 DFADRP CCc1ccccc1NC(=O)C[C@H](C)[N@@H+]1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000415053492 428501227 /nfs/dbraw/zinc/50/12/27/428501227.db2.gz KBRZFKWXIVWARJ-ZRGWGRIASA-N 2 0 317.477 2.883 20 0 DFADRP C[C@H](O)C[NH+]1CCC(C[N@H+](C)C[C@@H]2C[C@@H]2c2ccccc2)CC1 ZINC000353364674 428502979 /nfs/dbraw/zinc/50/29/79/428502979.db2.gz OMCWTWNPTUCHTL-FFZOFVMBSA-N 2 0 316.489 2.815 20 0 DFADRP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](N2C[C@@H](C)[C@](C)(C[NH3+])C2)C1 ZINC000415059736 428504652 /nfs/dbraw/zinc/50/46/52/428504652.db2.gz YTKKBIKJGJTYNE-PSBWJHGTSA-N 2 0 301.478 2.739 20 0 DFADRP C[C@@H](CCC(F)(F)F)[NH2+]C1CCC([NH+]2CCNCC2)CC1 ZINC000415057648 428505068 /nfs/dbraw/zinc/50/50/68/428505068.db2.gz RYDWDKZKWQSWKZ-HSBZDZAISA-N 2 0 307.404 2.523 20 0 DFADRP COCCCOc1cccc(C[N@@H+]2C[C@@H](C)[C@](C)(C[NH3+])C2)c1 ZINC000415059898 428505589 /nfs/dbraw/zinc/50/55/89/428505589.db2.gz ZXOQJZVNPAVWIX-CRAIPNDOSA-N 2 0 306.450 2.519 20 0 DFADRP C[C@@H]1C[C@H](C)[N@H+](CCC(=O)Nc2cccc(Cl)c2)C[C@H]1C[NH3+] ZINC000397349814 428508457 /nfs/dbraw/zinc/50/84/57/428508457.db2.gz HYYPDHZWVYYPMQ-HZSPNIEDSA-N 2 0 323.868 2.974 20 0 DFADRP CC[C@@]1(C(=O)NCc2cccc(C[N@H+](C)C(C)C)c2)CC[NH2+]C1 ZINC000372981172 428510257 /nfs/dbraw/zinc/51/02/57/428510257.db2.gz WWYLZFBUMPPMFT-LJQANCHMSA-N 2 0 317.477 2.533 20 0 DFADRP C[C@H]1CCC[C@H]1[NH2+]CC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000397499183 428511967 /nfs/dbraw/zinc/51/19/67/428511967.db2.gz UISMOQIGSUQZJA-FUHWJXTLSA-N 2 0 302.462 2.792 20 0 DFADRP C[NH+](C)C1(CNC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)CCCC1 ZINC000343074797 428514113 /nfs/dbraw/zinc/51/41/13/428514113.db2.gz WYIWXKUJNOKVIU-QGZVFWFLSA-N 2 0 321.509 2.774 20 0 DFADRP C[C@]1(CN[C@@H]2CCC[NH2+]CC2)CCC[N@@H+]1Cc1ccccc1 ZINC000398016720 428514591 /nfs/dbraw/zinc/51/45/91/428514591.db2.gz RCOSFLOMLNYRFS-RTBURBONSA-N 2 0 301.478 2.773 20 0 DFADRP C[C@H](C[C@H]1CCC[NH2+]1)[NH2+][C@@H]1CCN(c2c(F)cccc2F)C1 ZINC000415087399 428515958 /nfs/dbraw/zinc/51/59/58/428515958.db2.gz TUDWMZFHPQLPFA-MGPQQGTHSA-N 2 0 309.404 2.664 20 0 DFADRP COc1ccc(CC[NH2+][C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)cc1F ZINC000415087625 428516250 /nfs/dbraw/zinc/51/62/50/428516250.db2.gz WGYMMVXCXREZLI-DJIMGWMZSA-N 2 0 306.425 2.887 20 0 DFADRP CC(=O)Nc1cccc(C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)c1 ZINC000415084980 428516492 /nfs/dbraw/zinc/51/64/92/428516492.db2.gz PJRAWODWGCBETD-RCCFBDPRSA-N 2 0 301.434 2.655 20 0 DFADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1N[C@@H]1CCC[NH2+][C@H]1C ZINC000398113432 428518553 /nfs/dbraw/zinc/51/85/53/428518553.db2.gz DVDTXPIMNNXKQT-KCITZHQASA-N 2 0 301.478 2.627 20 0 DFADRP c1ccc2c(c1)CCOC21CC[NH+](CC2CC[NH2+]CC2)CC1 ZINC000415093086 428519973 /nfs/dbraw/zinc/51/99/73/428519973.db2.gz BPQKQLWVSZBIBN-UHFFFAOYSA-N 2 0 300.446 2.550 20 0 DFADRP Fc1ccc(CN2CCC([NH2+]C[C@H]3CCC[NH2+]C3)CC2)cc1F ZINC000415107968 428520786 /nfs/dbraw/zinc/52/07/86/428520786.db2.gz OJECQEAPTLPXML-HNNXBMFYSA-N 2 0 323.431 2.518 20 0 DFADRP O=C(Nc1cccc(C[NH2+]CC2CC[NH2+]CC2)c1)C1CCC1 ZINC000415103511 428521369 /nfs/dbraw/zinc/52/13/69/428521369.db2.gz KLJBEMGXKZKUHN-UHFFFAOYSA-N 2 0 301.434 2.514 20 0 DFADRP Cc1ccc(CCC[NH+]2CCC([C@@H]3OCCC[C@H]3[NH3+])CC2)cn1 ZINC000415106843 428522188 /nfs/dbraw/zinc/52/21/88/428522188.db2.gz JZBPJSIOBIBCLB-MOPGFXCFSA-N 2 0 317.477 2.541 20 0 DFADRP CC[C@@H](C)C[NH2+]Cc1ccccc1CN1CC[NH+](CC)CC1 ZINC000357417076 428522704 /nfs/dbraw/zinc/52/27/04/428522704.db2.gz NQRBXFDUZHJBGS-QGZVFWFLSA-N 2 0 303.494 2.960 20 0 DFADRP C[N@@H+]1CC[C@H]([NH2+]CCOc2ccc(F)c(F)c2)[C@@H]2CCC[C@H]21 ZINC000353409261 428524260 /nfs/dbraw/zinc/52/42/60/428524260.db2.gz WEVRBGMBFVVXJC-RRQGHBQHSA-N 2 0 310.388 2.806 20 0 DFADRP CCC[C@H](C(=O)N[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1)[NH+](C)C ZINC000343155696 428528280 /nfs/dbraw/zinc/52/82/80/428528280.db2.gz WEHKDQLMQIZAGP-BPQIPLTHSA-N 2 0 317.477 2.668 20 0 DFADRP [NH3+][C@@H]1CCCO[C@H]1C1CC[NH+](C/C=C\c2ccccc2)CC1 ZINC000415127471 428529851 /nfs/dbraw/zinc/52/98/51/428529851.db2.gz NGRIBSDABMVRMY-CIWFJCTISA-N 2 0 300.446 2.918 20 0 DFADRP COCCSCCC[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000373257541 428530077 /nfs/dbraw/zinc/53/00/77/428530077.db2.gz CVHQSWFDLCKRQF-UHFFFAOYSA-N 2 0 300.512 2.564 20 0 DFADRP COc1ccc(C[NH+]2CCC([C@H]3OCCC[C@@H]3[NH3+])CC2)cc1F ZINC000415125894 428530169 /nfs/dbraw/zinc/53/01/69/428530169.db2.gz LNEWNENXZHZQSN-FUHWJXTLSA-N 2 0 322.424 2.553 20 0 DFADRP CCCCOc1ccc(C[NH2+][C@H]2CC[NH2+]C[C@@H]2C)cc1OC ZINC000414960475 428471833 /nfs/dbraw/zinc/47/18/33/428471833.db2.gz QVIDXHIGKODUEA-HOCLYGCPSA-N 2 0 306.450 2.962 20 0 DFADRP C[C@H]1C[C@H]([NH2+]Cc2cccc(OCC(F)(F)F)c2)CC[NH2+]1 ZINC000414958464 428472055 /nfs/dbraw/zinc/47/20/55/428472055.db2.gz WTBDARMCWMFFDP-WCQYABFASA-N 2 0 302.340 2.858 20 0 DFADRP COC[C@]1(C[NH2+][C@H]2CCC[C@@H]2c2ccc(F)cc2)CCC[NH2+]1 ZINC000414956778 428472100 /nfs/dbraw/zinc/47/21/00/428472100.db2.gz PAWSXTYKOGRZQD-FGTMMUONSA-N 2 0 306.425 2.820 20 0 DFADRP C[C@@H]1C[N@H+](C)C[C@H]1Nc1cccc(C[NH+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000342847429 428473033 /nfs/dbraw/zinc/47/30/33/428473033.db2.gz BSEQTKXUKFOTRS-OAFZBRQQSA-N 2 0 317.477 2.658 20 0 DFADRP C[NH2+][C@@H](CC(C)(C)C)C(=O)NC[C@H](C)[N@H+](C)Cc1ccccc1 ZINC000390749342 428473435 /nfs/dbraw/zinc/47/34/35/428473435.db2.gz RPYJJUTWKGFSOZ-RDJZCZTQSA-N 2 0 319.493 2.647 20 0 DFADRP C[C@@H]1[NH2+]CCC[C@@H]1NC1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000414955264 428473489 /nfs/dbraw/zinc/47/34/89/428473489.db2.gz ODLRCEIKJYEYNE-KXBFYZLASA-N 2 0 319.468 2.563 20 0 DFADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]C[C@@H]1CCCN1Cc1ccccc1 ZINC000390564814 428474750 /nfs/dbraw/zinc/47/47/50/428474750.db2.gz OLUQPVVBVFNTGZ-FHWLQOOXSA-N 2 0 301.478 2.758 20 0 DFADRP COCC1(C[NH2+][C@H](C)Cc2ccc(Cl)cc2)CC[NH2+]CC1 ZINC000414971728 428476884 /nfs/dbraw/zinc/47/68/84/428476884.db2.gz IYSRDAVNRAJBAJ-CQSZACIVSA-N 2 0 310.869 2.877 20 0 DFADRP c1cn(-c2ccc(C[N@@H+]3CCC[C@H]([C@H]4CCC[NH2+]4)C3)cc2)cn1 ZINC000391007031 428477707 /nfs/dbraw/zinc/47/77/07/428477707.db2.gz IJGIVKUIQSABGI-PKOBYXMFSA-N 2 0 310.445 2.836 20 0 DFADRP C[C@H](CC(=O)Nc1ccc(F)cc1)[NH2+]CCC[C@@H]1CCC[NH2+]1 ZINC000414968440 428479001 /nfs/dbraw/zinc/47/90/01/428479001.db2.gz ICLYVJHPQHZROV-UKRRQHHQSA-N 2 0 307.413 2.665 20 0 DFADRP CC[N@H+](C)[C@@H](C(=O)NCCC[NH+]1CCCCC1)c1ccccc1 ZINC000343845838 428580210 /nfs/dbraw/zinc/58/02/10/428580210.db2.gz XRQKOOASWXMNRB-GOSISDBHSA-N 2 0 317.477 2.672 20 0 DFADRP CCN1C[C@H](C)[C@H]([NH2+]C2CCC([NH+]3CCC(C)CC3)CC2)C1 ZINC000358249899 428591432 /nfs/dbraw/zinc/59/14/32/428591432.db2.gz JTUNPYKPWQUWOP-MKCYZYCBSA-N 2 0 307.526 2.959 20 0 DFADRP C[C@H]1CC[N@H+](Cc2ccc(Oc3cnccn3)cc2)C[C@H]1C[NH3+] ZINC000415128900 428533165 /nfs/dbraw/zinc/53/31/65/428533165.db2.gz OQUHVEVEYUDIKL-GOEBONIOSA-N 2 0 312.417 2.686 20 0 DFADRP C[C@H]1CC[C@@H]([NH2+]CCCC[NH+](C)C)CN1C(=O)OC(C)(C)C ZINC000399015540 428533182 /nfs/dbraw/zinc/53/31/82/428533182.db2.gz DDQCNSWIXUDBLN-LSDHHAIUSA-N 2 0 313.486 2.706 20 0 DFADRP C[C@H]1CC[C@H](NC2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C[NH2+]1 ZINC000399063190 428534525 /nfs/dbraw/zinc/53/45/25/428534525.db2.gz ZPIJLMAAJAMMDS-VJAOCGABSA-N 2 0 313.489 2.912 20 0 DFADRP [NH3+]CC1(O)CC[NH+](Cc2ccc(-c3ccc(F)cc3)s2)CC1 ZINC000415146796 428536340 /nfs/dbraw/zinc/53/63/40/428536340.db2.gz ZINNLPMUCKQUHH-UHFFFAOYSA-N 2 0 320.433 2.840 20 0 DFADRP COc1cc(OC)c(C[NH2+]C2CCC([NH+](C)C)CC2)c(OC)c1 ZINC000353444463 428538753 /nfs/dbraw/zinc/53/87/53/428538753.db2.gz UWGZOYREBWVUBK-UHFFFAOYSA-N 2 0 322.449 2.675 20 0 DFADRP CC[NH+](CC)Cc1ccccc1CNC(=O)[C@H](C(C)C)[C@@H](C)[NH3+] ZINC000399399748 428539193 /nfs/dbraw/zinc/53/91/93/428539193.db2.gz WAOCEKWPQMTYHE-CRAIPNDOSA-N 2 0 319.493 2.764 20 0 DFADRP CCCC[N@H+](C)CC1CCN(C(=O)[C@H](C(C)C)[C@@H](C)[NH3+])CC1 ZINC000399492399 428540661 /nfs/dbraw/zinc/54/06/61/428540661.db2.gz AXJDBYNNBMUAEM-NVXWUHKLSA-N 2 0 311.514 2.576 20 0 DFADRP C[NH+](C)[C@H](CN[C@@H]1CC[N@H+](C)[C@@H]2CCC[C@@H]21)Cc1ccccc1 ZINC000353451534 428541790 /nfs/dbraw/zinc/54/17/90/428541790.db2.gz AGXSRLSDUHYKGL-MTQWCTHYSA-N 2 0 315.505 2.622 20 0 DFADRP CC[N@@H+]1CC[C@H]([NH2+][C@@H]2CCc3nc(C(C)(C)C)cn3C2)[C@H](C)C1 ZINC000347318242 428543849 /nfs/dbraw/zinc/54/38/49/428543849.db2.gz NALHQSDRFPTEQM-OAGGEKHMSA-N 2 0 318.509 2.815 20 0 DFADRP C[C@H](N[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C)[C@@H]1CCC[NH2+]1 ZINC000400323548 428544065 /nfs/dbraw/zinc/54/40/65/428544065.db2.gz APYVSWHYAPMFDO-NEPXVJNWSA-N 2 0 301.478 2.627 20 0 DFADRP C[C@H](NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)[C@H]1CCC[NH2+]1 ZINC000400349921 428544581 /nfs/dbraw/zinc/54/45/81/428544581.db2.gz MDZJGNRLVGRMSP-QFMLELGNSA-N 2 0 313.489 2.912 20 0 DFADRP C[C@H](NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)[C@H]1CC[NH2+]C1 ZINC000400478459 428546586 /nfs/dbraw/zinc/54/65/86/428546586.db2.gz VQDVMDHKUPBIGC-VJAOCGABSA-N 2 0 313.489 2.770 20 0 DFADRP Brc1cccc(CC[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000400953089 428550759 /nfs/dbraw/zinc/55/07/59/428550759.db2.gz XMAHYEJTCQLNGI-IJEWVQPXSA-N 2 0 323.278 2.969 20 0 DFADRP Brc1ccsc1C[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000401033265 428550767 /nfs/dbraw/zinc/55/07/67/428550767.db2.gz XWDYNFKOTALQDH-OUAUKWLOSA-N 2 0 315.280 2.988 20 0 DFADRP Brc1ccc(CC[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC000401110084 428550920 /nfs/dbraw/zinc/55/09/20/428550920.db2.gz GKXQYWFQAGRNRY-OFQRWUPVSA-N 2 0 323.278 2.969 20 0 DFADRP COc1ccc([C@H](C)[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)cc1OC ZINC000400972680 428551361 /nfs/dbraw/zinc/55/13/61/428551361.db2.gz PZOSCFULIGSYAB-DRPJVOAASA-N 2 0 304.434 2.743 20 0 DFADRP Brc1cccc(C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000401037785 428551981 /nfs/dbraw/zinc/55/19/81/428551981.db2.gz NRVPEPBMXPRCTH-KCQAQPDRSA-N 2 0 309.251 2.927 20 0 DFADRP C[C@@H]1CN(Cc2ccccc2)C[C@H]1[NH2+][C@@H](CO)C1CCCC1 ZINC000353476736 428554327 /nfs/dbraw/zinc/55/43/27/428554327.db2.gz ATWZXCQIVHKNDD-LZQZEXGQSA-N 2 0 302.462 2.648 20 0 DFADRP CC(C[NH+](C)C[C@H]1CCCCO1)C[N@H+](C)C[C@H]1CCCCO1 ZINC000357747859 428560515 /nfs/dbraw/zinc/56/05/15/428560515.db2.gz XICBVMCARVQHDH-QZTJIDSGSA-N 2 0 312.498 2.624 20 0 DFADRP CC(C)[NH+](C[C@H](C)C[N@H+](C(C)C)[C@H]1CCOC1)[C@@H]1CCOC1 ZINC000361409488 428564748 /nfs/dbraw/zinc/56/47/48/428564748.db2.gz WDTRFMAUCTVLCF-BCDXTJNWSA-N 2 0 312.498 2.621 20 0 DFADRP C[N@@H+]1CC[C@H]([NH2+]Cc2ccccc2-n2ccnc2)[C@H]2CCC[C@H]21 ZINC000353494661 428564965 /nfs/dbraw/zinc/56/49/65/428564965.db2.gz DIIXSUGJCOKNNL-ZIFCJYIRSA-N 2 0 310.445 2.835 20 0 DFADRP C[N@H+](Cc1ccccc1)C1CCC([NH2+]C[C@H](O)C(F)F)CC1 ZINC000353523406 428577810 /nfs/dbraw/zinc/57/78/10/428577810.db2.gz TZXCHPSFBKRJCX-GPANFISMSA-N 2 0 312.404 2.645 20 0 DFADRP CC[NH+](CC)[C@H](CNC(=O)c1ccc2c(c1)C[NH2+]C2)CC(C)C ZINC000347525609 428597627 /nfs/dbraw/zinc/59/76/27/428597627.db2.gz QLWUOEDEPGDPEG-SFHVURJKSA-N 2 0 317.477 2.776 20 0 DFADRP CC[N@@H+]1CC[C@H]([NH2+][C@@H]2CCN(C(C)=O)c3ccccc32)[C@@H](C)C1 ZINC000358374724 428598529 /nfs/dbraw/zinc/59/85/29/428598529.db2.gz OZIRTZUXIURKEV-JCGIZDLHSA-N 2 0 315.461 2.804 20 0 DFADRP c1cc(CCC[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)cc2c1OCC2 ZINC000373603312 428617541 /nfs/dbraw/zinc/61/75/41/428617541.db2.gz IUVMYYYWWNXFRJ-ROUUACIJSA-N 2 0 300.446 2.771 20 0 DFADRP CC[NH2+]Cc1cccc(NC(=O)N[C@@H](C)C[NH+]2CCCCC2)c1 ZINC000415904389 428621937 /nfs/dbraw/zinc/62/19/37/428621937.db2.gz AUWNHDZSOSMSIB-HNNXBMFYSA-N 2 0 318.465 2.792 20 0 DFADRP C[NH2+]Cc1ccccc1NC(=O)N[C@@H](C)C(C)(C)C[NH+](C)C ZINC000415912892 428625351 /nfs/dbraw/zinc/62/53/51/428625351.db2.gz NICHYXYTVDZNGZ-ZDUSSCGKSA-N 2 0 306.454 2.504 20 0 DFADRP CC[NH2+]Cc1cccc(NC(=O)N2CC[N@H+](C)[C@H](C(C)C)C2)c1 ZINC000415924369 428628531 /nfs/dbraw/zinc/62/85/31/428628531.db2.gz WISYBMRZJAHSNO-KRWDZBQOSA-N 2 0 318.465 2.600 20 0 DFADRP C[NH2+]Cc1cccc(NC(=O)NC[C@H](C)[N@@H+]2CCC[C@@H](C)C2)c1 ZINC000415928402 428628958 /nfs/dbraw/zinc/62/89/58/428628958.db2.gz HKVHFENYGTZZJG-CABCVRRESA-N 2 0 318.465 2.648 20 0 DFADRP COc1cccc(COCC[NH2+][C@@H]2CC[N@H+](C)[C@H]3CCC[C@H]32)c1 ZINC000353629467 428629922 /nfs/dbraw/zinc/62/99/22/428629922.db2.gz FZDCIJNGKKMXPV-OTWHNJEPSA-N 2 0 318.461 2.674 20 0 DFADRP CC[NH2+]Cc1ccccc1NC(=O)N1CC[N@H+](CC)C[C@H]1CC ZINC000415937621 428631020 /nfs/dbraw/zinc/63/10/20/428631020.db2.gz YKWSGOHVBMCWSA-MRXNPFEDSA-N 2 0 318.465 2.744 20 0 DFADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)C[C@@H]2CCC[NH2+]CC2)C1 ZINC000373517280 428595923 /nfs/dbraw/zinc/59/59/23/428595923.db2.gz SVXSWBVGOSUBDV-FGTMMUONSA-N 2 0 323.525 2.641 20 0 DFADRP Cn1cccc1C[NH2+]CC1(N2CCOC(C)(C)C2)CCCCC1 ZINC000344409368 428637011 /nfs/dbraw/zinc/63/70/11/428637011.db2.gz NBAJUNSQBYMYGR-UHFFFAOYSA-N 2 0 319.493 2.928 20 0 DFADRP C[N@@H+]1CC[C@H](NC(=O)Nc2ccc(C[NH3+])cc2)[C@H]1c1ccccc1 ZINC000415965259 428637337 /nfs/dbraw/zinc/63/73/37/428637337.db2.gz XTASWUGMLMZVLH-ZWKOTPCHSA-N 2 0 324.428 2.712 20 0 DFADRP C[NH2+]Cc1ccc(NC(=O)N(C)CC[C@@H]2CCCC[N@@H+]2C)cc1 ZINC000415976676 428640179 /nfs/dbraw/zinc/64/01/79/428640179.db2.gz WQJWXLUOENNXQY-KRWDZBQOSA-N 2 0 318.465 2.744 20 0 DFADRP CCOC(=O)c1coc(CN2CC[C@H](C[N@H+](C)CC3CC3)C2)c1 ZINC000353644617 428635759 /nfs/dbraw/zinc/63/57/59/428635759.db2.gz AIJQUJHAVCYYMF-OAHLLOKOSA-N 2 0 320.433 2.620 20 0 DFADRP COc1cccc(OCCC[NH2+][C@@H]2C[C@H](C)[N@H+](C)C[C@H]2C)c1 ZINC000090060615 274148587 /nfs/dbraw/zinc/14/85/87/274148587.db2.gz APLAOMZAHAFQLF-RVKKMQEKSA-N 2 0 306.450 2.782 20 0 DFADRP CC(C)[C@H]([NH2+]CC1(O)CC[NH+](C)CC1)c1cc(F)ccc1F ZINC000358752168 428658154 /nfs/dbraw/zinc/65/81/54/428658154.db2.gz JSUMKZQHOKLDGZ-INIZCTEOSA-N 2 0 312.404 2.708 20 0 DFADRP CC[N@H+](CCC1CC[NH+](CCCNC(C)=O)CC1)CC(C)C ZINC000358738974 428652050 /nfs/dbraw/zinc/65/20/50/428652050.db2.gz UDYUDTPDXLQITP-UHFFFAOYSA-N 2 0 311.514 2.593 20 0 DFADRP COCCSCCC[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000373895649 428654156 /nfs/dbraw/zinc/65/41/56/428654156.db2.gz AWSPUJRUXOESOJ-INIZCTEOSA-N 2 0 300.512 2.706 20 0 DFADRP COCCSCCC[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000373895650 428655224 /nfs/dbraw/zinc/65/52/24/428655224.db2.gz AWSPUJRUXOESOJ-MRXNPFEDSA-N 2 0 300.512 2.706 20 0 DFADRP C[NH+]1CCC(CC[NH2+][C@@H](c2ccccc2)c2ccncn2)CC1 ZINC000358750019 428655897 /nfs/dbraw/zinc/65/58/97/428655897.db2.gz LKVGITQQBMEZMG-IBGZPJMESA-N 2 0 310.445 2.888 20 0 DFADRP C[N@H+](Cc1ccccc1)CC(C)(C)C[NH+]1CC[C@H](CCO)C1 ZINC000353689495 428659597 /nfs/dbraw/zinc/65/95/97/428659597.db2.gz PYRNUYVNCIEYNN-GOSISDBHSA-N 2 0 304.478 2.849 20 0 DFADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1[NH2+]C[C@@H]1CCN(c2ccccc2)C1 ZINC000152527979 274339472 /nfs/dbraw/zinc/33/94/72/274339472.db2.gz AOGDSUXIGWAICU-VUHPKUFZSA-N 2 0 301.478 2.831 20 0 DFADRP C[NH+](C)[C@@H](CC(=O)NCCCC[N@H+](C)C1CC1)c1ccccc1 ZINC000416242298 428698692 /nfs/dbraw/zinc/69/86/92/428698692.db2.gz FUPGLBCIFKXOJJ-SFHVURJKSA-N 2 0 317.477 2.670 20 0 DFADRP CC(C)[C@H](CN(C)Cc1ccccc1)[NH2+]CCc1cnn(C)c1 ZINC000348301028 428699159 /nfs/dbraw/zinc/69/91/59/428699159.db2.gz FXTYGNJGXGAGJE-IBGZPJMESA-N 2 0 314.477 2.709 20 0 DFADRP Cc1cccc(C)c1NC(=O)CN1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000362316515 428701114 /nfs/dbraw/zinc/70/11/14/428701114.db2.gz DXQKUMAALSWQMX-IRXDYDNUSA-N 2 0 315.461 2.658 20 0 DFADRP CCc1cccc(Cl)c1C[NH2+]C[C@H](C)N1CC[NH+](C)CC1 ZINC000353767815 428703785 /nfs/dbraw/zinc/70/37/85/428703785.db2.gz NATGVMBCNQXVFH-AWEZNQCLSA-N 2 0 309.885 2.628 20 0 DFADRP c1ccc(C[NH+]2C[C@@H]3C[NH+](CC[C@@H]4CCCO4)C[C@H]3C2)cc1 ZINC000348314159 428706195 /nfs/dbraw/zinc/70/61/95/428706195.db2.gz HIZITIPCWKAYOG-FHWLQOOXSA-N 2 0 300.446 2.619 20 0 DFADRP C[C@H]1CC[C@H](C)[NH+]1CC(=O)NCCC[N@H+](C)C1CCCCC1 ZINC000344805168 428707999 /nfs/dbraw/zinc/70/79/99/428707999.db2.gz DKQSDAIRQBOWSJ-HOTGVXAUSA-N 2 0 309.498 2.630 20 0 DFADRP Cc1cc(C[N@@H+]2CCN(C3CC[NH+](C)CC3)[C@@H](C)C2)c(C)s1 ZINC000374626511 428716972 /nfs/dbraw/zinc/71/69/72/428716972.db2.gz VVRHAUIKNAIZAJ-AWEZNQCLSA-N 2 0 321.534 2.965 20 0 DFADRP C[N@@H+]1CC[C@H]([NH2+]Cc2ccc(C[S@](C)=O)cc2)[C@H]2CCC[C@@H]21 ZINC000353806046 428725990 /nfs/dbraw/zinc/72/59/90/428725990.db2.gz PFYZJBQVVJLGED-MSQSPTIYSA-N 2 0 320.502 2.528 20 0 DFADRP Cc1ccn(C2CCN(Cc3ncc(CN(C)C)s3)CC2)n1 ZINC000348380542 428726220 /nfs/dbraw/zinc/72/62/20/428726220.db2.gz KMOHSIALYGNVBL-UHFFFAOYSA-N 2 0 319.478 2.547 20 0 DFADRP c1cn2c(CN[C@H]3CC[N@@H+]4CCC[C@@H]4C3)c(C3CC3)nc2s1 ZINC000362253580 428676801 /nfs/dbraw/zinc/67/68/01/428676801.db2.gz FRQQEBOTFFDAQX-UONOGXRCSA-N 2 0 316.474 2.990 20 0 DFADRP CC(C)CN(CC[NH+](C)C)C(=O)C[C@@H](c1ccccc1)[NH+](C)C ZINC000416152031 428678064 /nfs/dbraw/zinc/67/80/64/428678064.db2.gz UNPIQLSLOAPASL-SFHVURJKSA-N 2 0 319.493 2.726 20 0 DFADRP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@@H](C)c1nccc2ccccc21 ZINC000289948866 274486020 /nfs/dbraw/zinc/48/60/20/274486020.db2.gz WLOBPTJZNQQEAJ-CVEARBPZSA-N 2 0 312.461 2.521 20 0 DFADRP C[C@@H]1C[N@H+](C)CCN1Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000411267674 428767376 /nfs/dbraw/zinc/76/73/76/428767376.db2.gz ZFJSXRQLWPPOFC-QGZVFWFLSA-N 2 0 301.478 2.808 20 0 DFADRP C[C@H](CC[NH+]1[C@@H](C)COC[C@@H]1C)CC[N@H+]1[C@H](C)COC[C@@H]1C ZINC000411279759 428770846 /nfs/dbraw/zinc/77/08/46/428770846.db2.gz CPOQESGOWCNVNE-JCECYMMASA-N 2 0 312.498 2.621 20 0 DFADRP CCCNC(=O)CCC[N@@H+]1CCC[C@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000411286890 428771933 /nfs/dbraw/zinc/77/19/33/428771933.db2.gz YGRKLJARFDILJZ-MSOLQXFVSA-N 2 0 323.525 2.879 20 0 DFADRP COC(=O)c1cc(CN(C)CC[C@@H]2CCCC[N@@H+]2C)cs1 ZINC000411290342 428774123 /nfs/dbraw/zinc/77/41/23/428774123.db2.gz HELJQMKPYXHBFA-AWEZNQCLSA-N 2 0 310.463 2.841 20 0 DFADRP COC(=O)C(C)(C)CC[NH2+]C[C@@H](C(C)C)[NH+]1CCC(C)CC1 ZINC000353911916 428774564 /nfs/dbraw/zinc/77/45/64/428774564.db2.gz HGNDPGDLLJEQLL-INIZCTEOSA-N 2 0 312.498 2.922 20 0 DFADRP CC(C)SCC[NH+]1CCC(C[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000374911255 428783319 /nfs/dbraw/zinc/78/33/19/428783319.db2.gz KVKNLXPLDZYXKM-HZPDHXFCSA-N 2 0 314.539 2.949 20 0 DFADRP CCOC[C@H]1CCC[C@H]1[NH2+]Cc1cccc(OCC[NH+](C)C)c1 ZINC000353940075 428787767 /nfs/dbraw/zinc/78/77/67/428787767.db2.gz ACZQGEYHGIUIIN-IEBWSBKVSA-N 2 0 320.477 2.922 20 0 DFADRP COC(=O)C[C@@H]1CC[C@H]([NH2+]CCC[N@@H+]2CCCC[C@@H]2C)[C@@H]1C ZINC000353944132 428790176 /nfs/dbraw/zinc/79/01/76/428790176.db2.gz JSYKXTKZKRVNBD-YVSFHVDLSA-N 2 0 310.482 2.818 20 0 DFADRP CC(C)[NH+]1CCN([C@H]2CC[N@H+](C[C@@H]3CCCC[C@H]3C)C2)CC1 ZINC000374964195 428793511 /nfs/dbraw/zinc/79/35/11/428793511.db2.gz PIKOGIWCKXBGFI-QYZOEREBSA-N 2 0 307.526 2.913 20 0 DFADRP C[C@H]([NH2+]CCC1CC(O)C1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000348417454 428738371 /nfs/dbraw/zinc/73/83/71/428738371.db2.gz UNHDCQZJXOOJBQ-BARLLCKDSA-N 2 0 302.462 2.648 20 0 DFADRP C[C@@H]1CN(CC[C@H]2CCC[N@@H+]2C)CC[NH+]1Cc1ccccc1 ZINC000411117650 428743871 /nfs/dbraw/zinc/74/38/71/428743871.db2.gz LXCNHDSDEFIUQB-IEBWSBKVSA-N 2 0 301.478 2.677 20 0 DFADRP COCCOCC[N@H+](C)Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000411736926 428849532 /nfs/dbraw/zinc/84/95/32/428849532.db2.gz OATUEYHBRSBRNU-UHFFFAOYSA-N 2 0 320.477 2.767 20 0 DFADRP CC[N@H+](Cc1ccc(C(=O)N[C@H](C)CC[NH+](C)C)cc1)C1CC1 ZINC000353962776 428795715 /nfs/dbraw/zinc/79/57/15/428795715.db2.gz UYFXMPSMFCKGAL-OAHLLOKOSA-N 2 0 317.477 2.741 20 0 DFADRP C[C@H]([NH2+]C[C@H]1CCOC[C@H]1C)c1cccc(OCC[NH+](C)C)c1 ZINC000353978311 428802576 /nfs/dbraw/zinc/80/25/76/428802576.db2.gz KEDDITWQOUTXCZ-SOLBZPMBSA-N 2 0 320.477 2.950 20 0 DFADRP O[C@@H]1CC[C@@H]2C[N@H+](Cc3ccc(C[NH+]4CCCCC4)cc3)C[C@H]12 ZINC000411497708 428804388 /nfs/dbraw/zinc/80/43/88/428804388.db2.gz ABBQPJKQLJGTBS-HSALFYBXSA-N 2 0 314.473 2.875 20 0 DFADRP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NCC(C)(C)[NH+](C)C ZINC000362806360 428807111 /nfs/dbraw/zinc/80/71/11/428807111.db2.gz NHHUAUPTOYIPCI-WMZOPIPTSA-N 2 0 303.494 2.827 20 0 DFADRP CCCC[C@H]1CCC[C@H]1[NH2+]CC(=O)NC1CC[NH+](C(C)C)CC1 ZINC000411524041 428810893 /nfs/dbraw/zinc/81/08/93/428810893.db2.gz ZKDDWFMDMQFSKP-FUHWJXTLSA-N 2 0 323.525 2.924 20 0 DFADRP CCO[C@H](CC[NH+](C)C)C[NH2+]Cc1cc2ccc(F)cc2[nH]1 ZINC000362932666 428813002 /nfs/dbraw/zinc/81/30/02/428813002.db2.gz YDYYYTGQMJVOSW-MRXNPFEDSA-N 2 0 307.413 2.753 20 0 DFADRP O[C@H]1C[N@H+](Cc2cccc(C[NH+]3CCCCC3)c2)CC12CC2 ZINC000411559716 428815777 /nfs/dbraw/zinc/81/57/77/428815777.db2.gz APLDJIIWDRPNEH-SFHVURJKSA-N 2 0 300.446 2.629 20 0 DFADRP C[C@H]1C[N@H+](Cc2ccc(C[NH+]3CCCCC3)cc2)CC[C@@H]1O ZINC000411568505 428820486 /nfs/dbraw/zinc/82/04/86/428820486.db2.gz LBKIJANSAYASSG-LPHOPBHVSA-N 2 0 302.462 2.875 20 0 DFADRP CC[NH+](CC)[C@@H](C(=O)N1CC[N@H+](C)CC[C@H]1C)c1ccccc1 ZINC000354010709 428820614 /nfs/dbraw/zinc/82/06/14/428820614.db2.gz YAPLNFIWGBTRAU-SJLPKXTDSA-N 2 0 317.477 2.622 20 0 DFADRP C[C@@H]1CC[N@H+](Cc2ccc(C[NH+]3CCCCC3)cc2)[C@@H]1CO ZINC000411614425 428826233 /nfs/dbraw/zinc/82/62/33/428826233.db2.gz KPBSWBDUUHMSRV-VQIMIIECSA-N 2 0 302.462 2.875 20 0 DFADRP Cc1ccsc1C[N@@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000354025400 428828998 /nfs/dbraw/zinc/82/89/98/428828998.db2.gz CYQYTDLPOZCZBW-HOTGVXAUSA-N 2 0 307.507 2.514 20 0 DFADRP C[C@H]1[C@H](CO)CC[N@@H+]1Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000411655608 428834908 /nfs/dbraw/zinc/83/49/08/428834908.db2.gz LNPOOMQATMIUSQ-LPHOPBHVSA-N 2 0 302.462 2.875 20 0 DFADRP CC(C)C(C[N@@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@@H](C)C1)C(C)C ZINC000375273062 428839471 /nfs/dbraw/zinc/83/94/71/428839471.db2.gz WQWQNVCVNYWTKI-PKOBYXMFSA-N 2 0 309.542 2.872 20 0 DFADRP CC[N@H+](CCC1CC[NH2+]CC1)[C@H](COC)Cc1ccccc1 ZINC000359185547 428857586 /nfs/dbraw/zinc/85/75/86/428857586.db2.gz FTFWMJSLKPZGLC-IBGZPJMESA-N 2 0 304.478 2.956 20 0 DFADRP CC[NH+](CC)CCO[C@@H]1CC[N@H+](Cc2ccc(OC)c(C)c2)C1 ZINC000354095946 428861052 /nfs/dbraw/zinc/86/10/52/428861052.db2.gz GDTHFNYNMQXKNP-GOSISDBHSA-N 2 0 320.477 2.936 20 0 DFADRP C[N@@H+]1CCC[C@H]1CC[NH+]1CCCN(c2ccc(F)c(F)c2)CC1 ZINC000375349571 428863119 /nfs/dbraw/zinc/86/31/19/428863119.db2.gz NQNJRTZCXUIRQA-HNNXBMFYSA-N 2 0 323.431 2.961 20 0 DFADRP C(C[N@@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1)C1CC[NH2+]CC1 ZINC000359209642 428866966 /nfs/dbraw/zinc/86/69/66/428866966.db2.gz DEHIUZRAACJKSY-IBGZPJMESA-N 3 0 307.526 2.964 20 0 DFADRP CCc1ccc(CN(CC[NH+](C)C)C[C@H]2CCC[N@H+]2CC)o1 ZINC000349063551 428911026 /nfs/dbraw/zinc/91/10/26/428911026.db2.gz QFEPPNUWWJABHP-MRXNPFEDSA-N 2 0 307.482 2.690 20 0 DFADRP Cc1cc(CN(CCC[NH+](C)C)CCC[NH+](C)C)cc(C)c1O ZINC000348920170 428874260 /nfs/dbraw/zinc/87/42/60/428874260.db2.gz ITFXLAFLXILMLG-UHFFFAOYSA-N 2 0 321.509 2.714 20 0 DFADRP COCC[N@H+](CCCc1ccccc1)CCC1CC[NH2+]CC1 ZINC000359225939 428874955 /nfs/dbraw/zinc/87/49/55/428874955.db2.gz VGPLMCSUJHWTTA-UHFFFAOYSA-N 2 0 304.478 2.957 20 0 DFADRP CCN(Cc1cncn1CC)Cc1ccc(C[NH+](C)C)cc1 ZINC000418064362 428878390 /nfs/dbraw/zinc/87/83/90/428878390.db2.gz IACHIDUMECTRLK-UHFFFAOYSA-N 2 0 300.450 2.987 20 0 DFADRP CCn1cncc1C[N@@H+]1CCC[C@H](c2ncc3n2CCCC3)C1 ZINC000418133844 428886001 /nfs/dbraw/zinc/88/60/01/428886001.db2.gz GLZGROBVIAXNGC-HNNXBMFYSA-N 2 0 313.449 2.815 20 0 DFADRP CCC[C@H](C[N@@H+]1CC[C@@H](N2CC[NH2+]CC2)C1)c1ccccc1 ZINC000348973668 428891116 /nfs/dbraw/zinc/89/11/16/428891116.db2.gz IJHYRTRJGSWERY-RTBURBONSA-N 2 0 301.478 2.550 20 0 DFADRP CCCC[NH+]1CCC([NH2+][C@@H]2CC[C@H](CC(=O)OC)[C@H]2C)CC1 ZINC000354157758 428892081 /nfs/dbraw/zinc/89/20/81/428892081.db2.gz KMFYGAVVHRORTJ-BFYDXBDKSA-N 2 0 310.482 2.818 20 0 DFADRP CC[NH+]1CCN([C@H](C)C[NH2+][C@H](c2ccc(F)cc2)C2CC2)CC1 ZINC000359278921 428899193 /nfs/dbraw/zinc/89/91/93/428899193.db2.gz UXNXAOODZCJKNF-BEFAXECRSA-N 2 0 319.468 2.892 20 0 DFADRP Cc1cccc([C@H](C)[NH+]2CCN([C@@H]3CCC[N@H+](C)C3)CC2)c1 ZINC000363287520 428899947 /nfs/dbraw/zinc/89/99/47/428899947.db2.gz FUKWLLBUDMHRPN-PKOBYXMFSA-N 2 0 301.478 2.768 20 0 DFADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)Cc1ccc(F)cc1 ZINC000349080147 428914663 /nfs/dbraw/zinc/91/46/63/428914663.db2.gz SLEPTPVPGPLJER-GOSISDBHSA-N 2 0 307.457 2.674 20 0 DFADRP COc1ccc([C@H](C)[C@@H](C)[NH2+][C@@H]2CCCC[NH2+]C2)cc1OC ZINC000423566244 428971069 /nfs/dbraw/zinc/97/10/69/428971069.db2.gz TWNWEPYKKBWQBY-IIAWOOMASA-N 2 0 306.450 2.928 20 0 DFADRP CC(C)C[C@H](C[NH2+]C[C@H](O)C[NH+]1CCCC1)c1ccccc1 ZINC000354211697 428917024 /nfs/dbraw/zinc/91/70/24/428917024.db2.gz NMXCFJWKIRCLCR-MOPGFXCFSA-N 2 0 304.478 2.863 20 0 DFADRP COc1ccc([C@H](O)[C@H]2CCC[N@@H+]2CCC[NH+]2CCCC2)cc1 ZINC000363458697 428919145 /nfs/dbraw/zinc/91/91/45/428919145.db2.gz ACZWXJRZPHURQK-MOPGFXCFSA-N 2 0 318.461 2.679 20 0 DFADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H](C(C)C)[NH+]1CCC(C)CC1 ZINC000349119613 428924445 /nfs/dbraw/zinc/92/44/45/428924445.db2.gz QUTTXGZZOWMZOA-MSOLQXFVSA-N 2 0 323.525 2.734 20 0 DFADRP CC[N@@H+]1CC[C@H]([NH+](C)CCC(=O)NCC2CCCCC2)C[C@@H]1C ZINC000354226269 428926352 /nfs/dbraw/zinc/92/63/52/428926352.db2.gz VXZQTQCOKRJJTO-WMZOPIPTSA-N 2 0 323.525 2.878 20 0 DFADRP C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@H]1[NH2+]CCCC(F)(F)F ZINC000363521077 428933724 /nfs/dbraw/zinc/93/37/24/428933724.db2.gz AHVWNDPNYZYWIL-HZSPNIEDSA-N 2 0 308.388 2.808 20 0 DFADRP COC(=O)[C@H](C)C[N@@H+]1CCC[C@H]([NH+](C)Cc2ccccc2)CC1 ZINC000375673338 428937129 /nfs/dbraw/zinc/93/71/29/428937129.db2.gz FPODCWWEHKMPFV-AEFFLSMTSA-N 2 0 318.461 2.782 20 0 DFADRP COC(=O)[C@H](C)C[N@@H+]1CCC[C@@H]([NH+](C)Cc2ccccc2)CC1 ZINC000375673340 428938119 /nfs/dbraw/zinc/93/81/19/428938119.db2.gz FPODCWWEHKMPFV-SJLPKXTDSA-N 2 0 318.461 2.782 20 0 DFADRP C[C@@H](C(=O)N[C@@H]1CC[N@H+](CC2CCCC2)C1)[NH+]1CCCCCC1 ZINC000345586289 428947148 /nfs/dbraw/zinc/94/71/48/428947148.db2.gz NZQJRLXMPKFLLC-FUHWJXTLSA-N 2 0 321.509 2.632 20 0 DFADRP CC[N@@H+]1CCCC[C@H]1C(=O)NC[C@H](C(C)C)[NH+]1CCC(C)CC1 ZINC000354273164 428949519 /nfs/dbraw/zinc/94/95/19/428949519.db2.gz RVHJHDJMVSYPGY-ZWKOTPCHSA-N 2 0 323.525 2.734 20 0 DFADRP C[C@@H](F)CC[N@H+](C)CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000375714599 428951535 /nfs/dbraw/zinc/95/15/35/428951535.db2.gz PDSJJEPWDCPDTH-MRXNPFEDSA-N 2 0 313.505 2.863 20 0 DFADRP COC(=O)C(C)(C)CCN(Cc1ccco1)C1CC[NH+](C)CC1 ZINC000349279138 428953950 /nfs/dbraw/zinc/95/39/50/428953950.db2.gz OCYBNUGJZRNHPK-UHFFFAOYSA-N 2 0 322.449 2.765 20 0 DFADRP C[C@@H]1CCC[C@H](CC[NH+]2CCN([C@H]3CCC[N@H+](C)C3)CC2)C1 ZINC000363615489 428955226 /nfs/dbraw/zinc/95/52/26/428955226.db2.gz JLBILFIDQWDEKV-QRVBRYPASA-N 2 0 307.526 2.915 20 0 DFADRP COCCSCCC[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000375734661 428957580 /nfs/dbraw/zinc/95/75/80/428957580.db2.gz XHOTWNLAHRZKIA-RDJZCZTQSA-N 2 0 312.523 2.705 20 0 DFADRP CN1CC[C@H]([NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)C[C@H]1c1ccccc1 ZINC000423541633 428967828 /nfs/dbraw/zinc/96/78/28/428967828.db2.gz FRONWDPSSIJYCW-UEDWAMCQSA-N 2 0 313.489 2.800 20 0 DFADRP C[C@@H]1[C@H]([NH2+]CCC2=CC[NH2+]CC2)CCCN1Cc1ccccc1 ZINC000423540142 428967900 /nfs/dbraw/zinc/96/79/00/428967900.db2.gz PYQNXLCRABXHJI-YLJYHZDGSA-N 2 0 313.489 2.939 20 0 DFADRP CC(C)C[C@@H]1CCC[C@H]([NH2+]CCC[N@@H+]2CCC[C@@H](C(N)=O)C2)C1 ZINC000354327528 428970246 /nfs/dbraw/zinc/97/02/46/428970246.db2.gz HHFHRKJRURTXOA-KSZLIROESA-N 2 0 323.525 2.768 20 0 DFADRP C[C@H]([NH2+]CCC1=CC[NH2+]CC1)c1cccc(N2CCCC2=O)c1 ZINC000423557673 428970820 /nfs/dbraw/zinc/97/08/20/428970820.db2.gz NMENMTGISKRCBH-HNNXBMFYSA-N 2 0 313.445 2.774 20 0 DFADRP COc1ccc(CC[C@H](C)[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC000423555021 428970871 /nfs/dbraw/zinc/97/08/71/428970871.db2.gz XQWVTJYIADGXPG-XOYOTBSWSA-N 2 0 302.462 2.994 20 0 DFADRP CC(C)[NH+]1CCC(NC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)CC1 ZINC000375928520 429019375 /nfs/dbraw/zinc/01/93/75/429019375.db2.gz AYRPXOWDDFYDGP-SFHVURJKSA-N 2 0 321.509 2.773 20 0 DFADRP CCO[C@@H]1COCC[C@@H]1[NH2+]C1CC[NH+]([C@H]2CCC[C@H](C)C2)CC1 ZINC000354984682 429021897 /nfs/dbraw/zinc/02/18/97/429021897.db2.gz QCOOACCCTZHYQD-DSLXNQLJSA-N 2 0 324.509 2.813 20 0 DFADRP CC(C)[NH+]1CCC([NH2+]CCNc2ccc3ccccc3n2)CC1 ZINC000354969626 429023223 /nfs/dbraw/zinc/02/32/23/429023223.db2.gz RDZUXLCYGRSAIY-UHFFFAOYSA-N 2 0 312.461 3.109 20 0 DFADRP Cc1cc(F)ccc1[C@H]1CCCN1C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000451987075 429031890 /nfs/dbraw/zinc/03/18/90/429031890.db2.gz JGNGFUVMVTWKHQ-FUHWJXTLSA-N 2 0 306.425 2.726 20 0 DFADRP CC[NH+]1CCN(CC(C)(C)[NH2+]Cc2oc(C(C)C)nc2C)CC1 ZINC000451991269 429033064 /nfs/dbraw/zinc/03/30/64/429033064.db2.gz SEQOORIFSHLDQA-UHFFFAOYSA-N 2 0 322.497 2.612 20 0 DFADRP CC[C@@H]([NH2+]CC1(N)CC[NH+](Cc2ccccc2)CC1)C1CC1 ZINC000423578366 428974254 /nfs/dbraw/zinc/97/42/54/428974254.db2.gz UKHZBJFHYFXPEO-GOSISDBHSA-N 2 0 301.478 2.758 20 0 DFADRP C[C@H]1C[C@@H]([NH+]2CCCC2)CN1CC[N@H+](C)Cc1ccc(F)cc1 ZINC000375789849 428975007 /nfs/dbraw/zinc/97/50/07/428975007.db2.gz VBLQYCFNZFXPLF-QFBILLFUSA-N 2 0 319.468 2.816 20 0 DFADRP C[C@H]([NH2+]CC1CC[NH+](CCN(C)C)CC1)C1C(C)(C)C1(C)C ZINC000354335553 428975842 /nfs/dbraw/zinc/97/58/42/428975842.db2.gz SKBQNKVJBYYSLW-HNNXBMFYSA-N 2 0 309.542 2.920 20 0 DFADRP CCOC(=O)c1coc(CN(CC)CCC[NH+]2CCCC2)c1 ZINC000349379144 428978320 /nfs/dbraw/zinc/97/83/20/428978320.db2.gz AFKLMJVSAUROQD-UHFFFAOYSA-N 2 0 308.422 2.764 20 0 DFADRP CC(C)C[C@@H](C[NH2+]CC1(O)CC[NH+](C)CC1)c1ccccc1 ZINC000354428053 428982148 /nfs/dbraw/zinc/98/21/48/428982148.db2.gz VXASNFXLCRCSPC-SFHVURJKSA-N 2 0 304.478 2.863 20 0 DFADRP C[C@H]([NH3+])c1ccc(C(=O)N2C[C@@H](C[NH3+])[C@H](c3ccccc3)C2)cc1 ZINC000423612404 428983638 /nfs/dbraw/zinc/98/36/38/428983638.db2.gz PFLWNCUBYBWJIZ-KYNGSXCRSA-N 2 0 323.440 2.521 20 0 DFADRP CC[NH+]1CCN(CC(C)(C)[NH2+]CCCc2cccc(C)c2)CC1 ZINC000451978757 429033778 /nfs/dbraw/zinc/03/37/78/429033778.db2.gz GCZZJUCFSBMBCP-UHFFFAOYSA-N 2 0 317.521 2.933 20 0 DFADRP CC[C@@H](C(=O)N1CCCC[C@H]1CC[NH3+])[N@H+](C)Cc1ccccc1 ZINC000423644059 428987900 /nfs/dbraw/zinc/98/79/00/428987900.db2.gz ZEOQSGBDSDADNQ-ROUUACIJSA-N 2 0 317.477 2.627 20 0 DFADRP CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1NC(=O)CCC[NH+]1CCC([NH3+])CC1 ZINC000433112818 428996862 /nfs/dbraw/zinc/99/68/62/428996862.db2.gz CGLZLXNREMGGLZ-NJAFHUGGSA-N 2 0 323.525 2.767 20 0 DFADRP CCN(C(=O)CCC[NH+]1CCC([NH3+])CC1)c1cccc(C)c1 ZINC000433140097 428998681 /nfs/dbraw/zinc/99/86/81/428998681.db2.gz FAXXYDNLYJAPDO-UHFFFAOYSA-N 2 0 303.450 2.551 20 0 DFADRP CC(C)(C)C[C@@H]1CCCN1C(=O)CCC[NH+]1CCC([NH3+])CC1 ZINC000433131555 428999829 /nfs/dbraw/zinc/99/98/29/428999829.db2.gz KFXQEROJUDTZCM-INIZCTEOSA-N 2 0 309.498 2.617 20 0 DFADRP CCC(CC)N(CC(C)C)C(=O)CCC[NH+]1CCC([NH3+])CC1 ZINC000433146623 429000613 /nfs/dbraw/zinc/00/06/13/429000613.db2.gz AFBPBNREOJOSJN-UHFFFAOYSA-N 2 0 311.514 2.863 20 0 DFADRP [NH3+][C@H](CC(=O)N1CC[NH+](C2CCCCC2)CC1)c1ccccc1 ZINC000423708607 429001967 /nfs/dbraw/zinc/00/19/67/429001967.db2.gz HGDWVBXPPHTBOM-GOSISDBHSA-N 2 0 315.461 2.553 20 0 DFADRP CSc1cccc(NC(=O)CCC[NH+]2CCC([NH3+])CC2)c1 ZINC000433146185 429001976 /nfs/dbraw/zinc/00/19/76/429001976.db2.gz UMLQHPFPANJLMM-UHFFFAOYSA-N 2 0 307.463 2.550 20 0 DFADRP CCC[C@@H]1CCC[C@@H]1[NH2+]Cc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000433143491 429002404 /nfs/dbraw/zinc/00/24/04/429002404.db2.gz HONBHSPOXBHKDF-MSOLQXFVSA-N 2 0 316.493 2.892 20 0 DFADRP Cc1ccnc(NC[C@H]2CC[NH+](CC[C@@H]3CCCC[N@H+]3C)C2)c1 ZINC000375868824 429002587 /nfs/dbraw/zinc/00/25/87/429002587.db2.gz HAIWKCDTHTUCSA-MSOLQXFVSA-N 2 0 316.493 2.998 20 0 DFADRP Cc1cccc([C@H](C)NC(=O)CCC[NH+]2CCC([NH3+])CC2)c1C ZINC000433170709 429005195 /nfs/dbraw/zinc/00/51/95/429005195.db2.gz YWYWRMNNGOFLSR-INIZCTEOSA-N 2 0 317.477 2.684 20 0 DFADRP CC(C)[NH+]1CCN([C@H]2CC[N@@H+]([C@@H](C)c3cccc(F)c3)C2)CC1 ZINC000375888011 429007145 /nfs/dbraw/zinc/00/71/45/429007145.db2.gz FJILGLKWHYLUJR-LPHOPBHVSA-N 2 0 319.468 2.987 20 0 DFADRP C[C@@H]([NH3+])c1ccc(C(=O)N(C)[C@H](C)C2CC[NH+](C)CC2)cc1 ZINC000423759965 429010654 /nfs/dbraw/zinc/01/06/54/429010654.db2.gz MMONMHVPKRLCDW-ZIAGYGMSSA-N 2 0 303.450 2.509 20 0 DFADRP C[C@H]1[NH2+]CCC[C@@H]1C(=O)Nc1cccc(CC[NH+]2CCCC2)c1 ZINC000423771104 429014454 /nfs/dbraw/zinc/01/44/54/429014454.db2.gz IRKAZFUHTLVZFP-QAPCUYQASA-N 2 0 315.461 2.652 20 0 DFADRP C[C@@H]1CCCN(C(=O)CC[C@H]([NH3+])CC2CCCCC2)[C@H]1C[NH3+] ZINC000424077077 429089349 /nfs/dbraw/zinc/08/93/49/429089349.db2.gz NIUGQRRBBHHWEF-PVAVHDDUSA-N 2 0 309.498 2.650 20 0 DFADRP CCC[N@H+](C)C[C@@H]1CCN(C(=O)c2ccc([C@H](C)[NH3+])cc2)C1 ZINC000423446155 429089540 /nfs/dbraw/zinc/08/95/40/429089540.db2.gz SNSXDXSYYWFNBX-GJZGRUSLSA-N 2 0 303.450 2.510 20 0 DFADRP C/C=C\COc1ccc(CC[C@@H](C)[NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)cc1 ZINC000423447758 429089770 /nfs/dbraw/zinc/08/97/70/429089770.db2.gz AFLMHCCCZKMBJK-BTAHNIKVSA-N 2 0 300.446 2.770 20 0 DFADRP C[C@@H]1[C@H](N[C@H]2C[NH2+]CCC2(F)F)CCC[N@@H+]1Cc1ccccc1 ZINC000423470438 429091732 /nfs/dbraw/zinc/09/17/32/429091732.db2.gz DKDUCCJGWJLQBW-OIISXLGYSA-N 2 0 323.431 2.626 20 0 DFADRP CN1CC[C@H]([NH2+]C[C@@H]2CCC[C@H]([NH3+])C2)C[C@@H]1c1ccccc1 ZINC000423465304 429091779 /nfs/dbraw/zinc/09/17/79/429091779.db2.gz HPJNPIXTFIQRDO-XGXHKWSGSA-N 2 0 301.478 2.929 20 0 DFADRP C[C@@H]1[C@H](N[C@@H]2C[NH2+]CCC2(F)F)CCC[N@@H+]1Cc1ccccc1 ZINC000423470436 429091828 /nfs/dbraw/zinc/09/18/28/429091828.db2.gz DKDUCCJGWJLQBW-DJIMGWMZSA-N 2 0 323.431 2.626 20 0 DFADRP COCCc1nc(C)c([C@H](C)[NH2+]C[C@H]2CCC[C@H]([NH3+])C2)s1 ZINC000423477997 429093737 /nfs/dbraw/zinc/09/37/37/429093737.db2.gz SUUMXGIFCQDZKB-UBHSHLNASA-N 2 0 311.495 2.809 20 0 DFADRP C[C@H]([NH2+]CCCC[N@@H+]1CCC[C@@H]1CO)c1ccncc1Cl ZINC000421838283 429037907 /nfs/dbraw/zinc/03/79/07/429037907.db2.gz VFFKWOBFSXLQLX-UONOGXRCSA-N 2 0 311.857 2.623 20 0 DFADRP CCCC[N@H+](C)CC1CCN(C(=O)C[C@@H]2CCC[NH2+]CC2)CC1 ZINC000376335603 429096373 /nfs/dbraw/zinc/09/63/73/429096373.db2.gz KOPBPPWJCSQYFW-QGZVFWFLSA-N 2 0 323.525 2.737 20 0 DFADRP CC[C@H](O)C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000421872224 429043775 /nfs/dbraw/zinc/04/37/75/429043775.db2.gz GNTPSLVLIJUBLJ-WJFTUGDTSA-N 2 0 302.462 2.790 20 0 DFADRP CC(C)c1ccc2c(c1)[C@H](NC[C@@H]1C[NH2+]CCCO1)CCCO2 ZINC000423485296 429096839 /nfs/dbraw/zinc/09/68/39/429096839.db2.gz AZQPXBDFEOBZJJ-FUHWJXTLSA-N 2 0 318.461 2.992 20 0 DFADRP C[NH2+]C[C@@H](C)CN[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000423281627 429056160 /nfs/dbraw/zinc/05/61/60/429056160.db2.gz VVUIAZLDVQOQFQ-OQIJWPOYSA-N 2 0 301.478 2.627 20 0 DFADRP C[N@H+](Cc1ccccc1)C1CCC([NH2+][C@@H](CN)C2CC2)CC1 ZINC000423285195 429057472 /nfs/dbraw/zinc/05/74/72/429057472.db2.gz XYVHDWDEMRVBJW-ACBHZAAOSA-N 2 0 301.478 2.757 20 0 DFADRP CCC([NH3+])(CC)CN[C@H](c1ccc(OC)cc1)[C@@H]1CCC[NH2+]1 ZINC000423289254 429057499 /nfs/dbraw/zinc/05/74/99/429057499.db2.gz ARXRJIXSJWHYMD-DLBZAZTESA-N 2 0 305.466 2.595 20 0 DFADRP Clc1ccc([C@H](Cc2cccnc2)[NH2+]CC2C[NH2+]C2)cc1 ZINC000423303510 429060792 /nfs/dbraw/zinc/06/07/92/429060792.db2.gz LULHTCURMCWYQA-KRWDZBQOSA-N 2 0 301.821 2.828 20 0 DFADRP C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)[C@@H]1[NH2+]CCCC1(C)C ZINC000423321048 429062786 /nfs/dbraw/zinc/06/27/86/429062786.db2.gz FXMSKWXDGPDQMQ-CVEARBPZSA-N 2 0 309.498 2.535 20 0 DFADRP CCC[N@H+](CC)Cc1ccc(C(=O)N(C)[C@@H](C[NH3+])C2CC2)cc1 ZINC000423953705 429063130 /nfs/dbraw/zinc/06/31/30/429063130.db2.gz QTXGFZHQSFWGKQ-SFHVURJKSA-N 2 0 317.477 2.728 20 0 DFADRP [NH3+]C1C[C@H]2CCC[C@@H](C1)C2[NH2+][C@@H]1CCc2ccccc2OC1 ZINC000423312111 429063297 /nfs/dbraw/zinc/06/32/97/429063297.db2.gz RAHDYVNDNZIKHW-XAZSACEBSA-N 2 0 300.446 2.876 20 0 DFADRP C[NH+](C)C1(CNC(=O)C(C)(C)[C@H]([NH3+])c2ccccc2)CCCC1 ZINC000423313237 429063531 /nfs/dbraw/zinc/06/35/31/429063531.db2.gz WOWZYWZEJNCKAW-MRXNPFEDSA-N 2 0 317.477 2.703 20 0 DFADRP [NH3+]CCCC[NH2+][C@H]1CCCOc2c(Br)cccc21 ZINC000423322893 429064330 /nfs/dbraw/zinc/06/43/30/429064330.db2.gz JDCGSNKDBYBAKD-ZDUSSCGKSA-N 2 0 313.239 2.991 20 0 DFADRP CC[C@H]([NH2+]C[C@]1(C)CCC[NH2+]C1)c1ccc(C(=O)OC)cc1 ZINC000423328270 429064589 /nfs/dbraw/zinc/06/45/89/429064589.db2.gz DKDRHFCJMGDXTJ-FUHWJXTLSA-N 2 0 304.434 2.904 20 0 DFADRP [NH3+]C1(CN[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]3CCC[C@H]32)CCC1 ZINC000423324109 429064823 /nfs/dbraw/zinc/06/48/23/429064823.db2.gz IIOJJDVUXIVVLZ-IPMKNSEASA-N 2 0 313.489 2.901 20 0 DFADRP CC[C@H](C(=O)N[C@@H](C[NH3+])C1CCCC1)[N@H+](C)Cc1ccccc1 ZINC000423960711 429065378 /nfs/dbraw/zinc/06/53/78/429065378.db2.gz NMDHTLLMNQVWCO-ZWKOTPCHSA-N 2 0 317.477 2.531 20 0 DFADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC1(C)CC[NH2+]CC1 ZINC000423323549 429065613 /nfs/dbraw/zinc/06/56/13/429065613.db2.gz ICFOXDROZKKVKV-IEBWSBKVSA-N 3 0 315.505 2.876 20 0 DFADRP FC(F)(F)Oc1cccc([C@@H]([NH2+]CC2C[NH2+]C2)C2CC2)c1 ZINC000423331783 429066947 /nfs/dbraw/zinc/06/69/47/429066947.db2.gz UVYQVVQVUXQUNA-AWEZNQCLSA-N 2 0 300.324 2.845 20 0 DFADRP C[C@@H]([NH2+]CC1=CC[NH2+]CC1)c1nc2ccc(Cl)cc2n1C ZINC000423335595 429066982 /nfs/dbraw/zinc/06/69/82/429066982.db2.gz GNXCOROAHQBFTP-LLVKDONJSA-N 2 0 304.825 2.797 20 0 DFADRP Cc1nn(C)c2sc([C@H](C)[NH2+]C[C@]3(C)CCC[NH2+]C3)cc12 ZINC000423332805 429067345 /nfs/dbraw/zinc/06/73/45/429067345.db2.gz HHTXKWOOLKEFRD-BLLLJJGKSA-N 2 0 306.479 2.984 20 0 DFADRP C[C@H](CNC(=O)c1ccc([C@H](C)[NH3+])cc1)[N@@H+]1CCCC[C@H]1C ZINC000423335068 429067759 /nfs/dbraw/zinc/06/77/59/429067759.db2.gz TXRUFKSOQUDGII-KFWWJZLASA-N 2 0 303.450 2.699 20 0 DFADRP COc1cc2c(cc1OC)[C@H]([NH2+]C[C@@]1(C)CCC[NH2+]C1)CC2 ZINC000423346084 429069108 /nfs/dbraw/zinc/06/91/08/429069108.db2.gz PMPSAFKJXXECSG-QAPCUYQASA-N 2 0 304.434 2.670 20 0 DFADRP FC(F)(F)Oc1ccc2c(c1)[C@H]([NH2+]C[C@H]1CC[NH2+]C1)CC2 ZINC000423351418 429069407 /nfs/dbraw/zinc/06/94/07/429069407.db2.gz ZCZROJRAXAZCER-IINYFYTJSA-N 2 0 300.324 2.772 20 0 DFADRP C[N@H+](Cc1ccccc1)C1CCC([NH2+]C[C@@H]2CC[NH2+]C2)CC1 ZINC000423351217 429069845 /nfs/dbraw/zinc/06/98/45/429069845.db2.gz YTNKSSURVGUVPK-LMDPOFIKSA-N 3 0 301.478 2.629 20 0 DFADRP C[C@@H]1C[C@@H](NC[C@@]2(C)CCC[NH2+]C2)C[N@@H+]1Cc1ccccc1 ZINC000423343623 429070193 /nfs/dbraw/zinc/07/01/93/429070193.db2.gz XACXHDQBMOOVMV-QRQLOZEOSA-N 2 0 301.478 2.629 20 0 DFADRP C[C@H](NC[C@]1(C)CCC[NH2+]C1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000423345618 429070314 /nfs/dbraw/zinc/07/03/14/429070314.db2.gz PGPGUZCNRPCAFH-YSIASYRMSA-N 2 0 315.505 2.876 20 0 DFADRP Brc1cccc2c1C[C@H]([NH2+]CC1=CC[NH2+]CC1)CC2 ZINC000423356885 429071685 /nfs/dbraw/zinc/07/16/85/429071685.db2.gz RHPKRRXUZPBSBR-CQSZACIVSA-N 2 0 321.262 2.816 20 0 DFADRP CC(C)[N@H+](C)Cc1cccc(CNC(=O)[C@H]2C[C@H](C)CC[NH2+]2)c1 ZINC000423370825 429073834 /nfs/dbraw/zinc/07/38/34/429073834.db2.gz UQIATCZPQCPPMU-CRAIPNDOSA-N 2 0 317.477 2.531 20 0 DFADRP C[C@@H]([NH3+])c1ccc(C(=O)NCC[N@H+]2[C@H](C)CCC[C@@H]2C)cc1 ZINC000423368743 429074328 /nfs/dbraw/zinc/07/43/28/429074328.db2.gz FLSDVUBLWLPPMX-QLFBSQMISA-N 2 0 303.450 2.699 20 0 DFADRP COc1cc(NC(C)=O)ccc1[C@H](C)[NH2+][C@H]1CCC[C@H]([NH3+])C1 ZINC000423367479 429075248 /nfs/dbraw/zinc/07/52/48/429075248.db2.gz COKZIWQYWFCTIY-UBHSHLNASA-N 2 0 305.422 2.574 20 0 DFADRP Cc1ccc([C@H](CCn2cncn2)[NH2+][C@@H]2CCC[C@H]([NH3+])C2)cc1 ZINC000423382964 429076757 /nfs/dbraw/zinc/07/67/57/429076757.db2.gz KCPWNTDBYWJFFE-KSZLIROESA-N 2 0 313.449 2.577 20 0 DFADRP CC[C@@H](C)CC(=O)NCC1([NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000424022775 429078326 /nfs/dbraw/zinc/07/83/26/429078326.db2.gz USGSPYGDOCTVBL-MRXNPFEDSA-N 2 0 317.477 2.532 20 0 DFADRP C[C@@H]1C[NH2+]CC[C@@H]1[NH2+][C@H](C[C@@H]1CCOC1)c1ccc(F)cc1 ZINC000423391285 429078399 /nfs/dbraw/zinc/07/83/99/429078399.db2.gz KQVRCBCNZTUGRS-IDCJVQTKSA-N 2 0 306.425 2.881 20 0 DFADRP C[C@H]([NH2+][C@H]1CCC[C@@H]([NH3+])C1)c1cccc(N2CCCC2=O)c1 ZINC000423397465 429078652 /nfs/dbraw/zinc/07/86/52/429078652.db2.gz SXHXEBNFHGSGPO-IMJJTQAJSA-N 2 0 301.434 2.734 20 0 DFADRP C[NH2+][C@H](C)CN[C@@H]1CC[N@H+](Cc2ccccc2)[C@H]2CCC[C@H]21 ZINC000423396209 429079189 /nfs/dbraw/zinc/07/91/89/429079189.db2.gz RNPYWHOFPNBSFO-LULLPPNCSA-N 2 0 301.478 2.627 20 0 DFADRP COc1ccc(C[C@H](C)[NH2+][C@@H]2CC[NH2+]C[C@@H]2C)c(C)c1OC ZINC000423394647 429079990 /nfs/dbraw/zinc/07/99/90/429079990.db2.gz MVUMARRJPWMWEJ-HEHGZKQESA-N 2 0 306.450 2.531 20 0 DFADRP COCC1(C[NH2+][C@@H]2CCCOc3ccc(F)cc32)CC[NH2+]CC1 ZINC000423403432 429080922 /nfs/dbraw/zinc/08/09/22/429080922.db2.gz HOJDPXYUGVSVGK-MRXNPFEDSA-N 2 0 322.424 2.645 20 0 DFADRP COC(=O)c1csc([C@@H](C)[NH2+]Cc2ccc3c(c2)C[NH2+]C3)c1 ZINC000423405504 429081385 /nfs/dbraw/zinc/08/13/85/429081385.db2.gz YAVPCKWGGBHDBU-LLVKDONJSA-N 2 0 316.426 2.989 20 0 DFADRP C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)C(C)(C)[C@@H]([NH3+])c2ccccc2)C1 ZINC000423410922 429083182 /nfs/dbraw/zinc/08/31/82/429083182.db2.gz DVYKARLIGZAJPP-ZACQAIPSSA-N 2 0 317.477 2.702 20 0 DFADRP C[C@H]([NH2+]C[C@H]1C[NH2+]C[C@@H]1O)c1ccc(-c2cccs2)cc1 ZINC000423409450 429083475 /nfs/dbraw/zinc/08/34/75/429083475.db2.gz QDELXXWQCLAZPG-MAZHCROVSA-N 2 0 302.443 2.646 20 0 DFADRP COC[C@]1(C[NH2+][C@@H](Cc2ccc(C)cc2)C2CC2)CCC[NH2+]1 ZINC000423412797 429083546 /nfs/dbraw/zinc/08/35/46/429083546.db2.gz IOZPIAUUXGIAHA-RBUKOAKNSA-N 2 0 302.462 2.674 20 0 DFADRP [NH3+][C@H](CCC(=O)NCC1([NH3+])CCCCC1)CC1CCCCC1 ZINC000424059608 429085212 /nfs/dbraw/zinc/08/52/12/429085212.db2.gz OEXDFWLBWIBGFY-MRXNPFEDSA-N 2 0 309.498 2.842 20 0 DFADRP C[C@@H](CCCC[NH3+])[NH2+][C@H](c1ccc(F)cc1)c1cnccn1 ZINC000423425748 429085213 /nfs/dbraw/zinc/08/52/13/429085213.db2.gz HBIGOWXFVJMOOG-SUMWQHHRSA-N 2 0 302.397 2.812 20 0 DFADRP COc1cccc(C[C@H]([NH2+][C@@H]2C[C@H]2C2CC[NH2+]CC2)C2CC2)c1 ZINC000423420304 429085638 /nfs/dbraw/zinc/08/56/38/429085638.db2.gz ALBZJBYMNZHBTQ-SLFFLAALSA-N 2 0 314.473 2.994 20 0 DFADRP C[C@H]([NH2+]C[C@H]1CCNCC1(F)F)c1cc(F)c(F)c(F)c1 ZINC000423482374 429097638 /nfs/dbraw/zinc/09/76/38/429097638.db2.gz QUBPPWDTXMAOPL-WCBMZHEXSA-N 2 0 308.294 2.999 20 0 DFADRP Cc1ccc(CCC[NH+]2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)cc1 ZINC000376608828 429147760 /nfs/dbraw/zinc/14/77/60/429147760.db2.gz GWIYXCALOXINSL-HXUWFJFHSA-N 2 0 315.505 2.639 20 0 DFADRP C[C@@H]([NH2+]Cc1ccc(C(=O)NCC[NH+](C)C)cc1)[C@H]1CC1(C)C ZINC000487309647 429150690 /nfs/dbraw/zinc/15/06/90/429150690.db2.gz LEQCDIDLTBMSPM-RHSMWYFYSA-N 2 0 317.477 2.502 20 0 DFADRP CCN(CC(=O)N1CCC[C@@H]2CCCC[C@@H]21)[C@@H]1CCC[NH2+]CC1 ZINC000435611925 429152794 /nfs/dbraw/zinc/15/27/94/429152794.db2.gz DDDGXNAPAAUNTB-KSZLIROESA-N 2 0 321.509 2.632 20 0 DFADRP CN(Cc1ccn(-c2ccc(F)cc2)n1)[C@@H]1CCC[NH2+]CC1 ZINC000435614340 429153558 /nfs/dbraw/zinc/15/35/58/429153558.db2.gz MHULBKXLNUREDJ-MRXNPFEDSA-N 2 0 302.397 2.585 20 0 DFADRP CN(C(=O)CC[C@@H]([NH3+])CC1CCCCC1)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000424141366 429098255 /nfs/dbraw/zinc/09/82/55/429098255.db2.gz CKNXYJYJXRAVNG-AEFFLSMTSA-N 2 0 321.509 2.759 20 0 DFADRP CN(C)c1nccc2cc(NC(=O)[C@@H]3CCC[N@@H+]3C3CC3)ccc21 ZINC000452354534 429098843 /nfs/dbraw/zinc/09/88/43/429098843.db2.gz LNHCBWQWPTUERR-KRWDZBQOSA-N 2 0 324.428 2.866 20 0 DFADRP CC[C@H](C)[N@H+](C)CCNC(=O)CC[C@@H]([NH3+])CC1CCCCC1 ZINC000424164217 429102631 /nfs/dbraw/zinc/10/26/31/429102631.db2.gz YQRPJQAAZAUNTM-DOTOQJQBSA-N 2 0 311.514 2.911 20 0 DFADRP CC[C@H](C)[N@H+](C)CCNC(=O)CC[C@H]([NH3+])CC1CCCCC1 ZINC000424164219 429103272 /nfs/dbraw/zinc/10/32/72/429103272.db2.gz YQRPJQAAZAUNTM-RDJZCZTQSA-N 2 0 311.514 2.911 20 0 DFADRP COCCc1nc(C)c([C@H](C)[N@@H+]2C[C@@H](C)[C@](C)(C[NH3+])C2)s1 ZINC000423509452 429103336 /nfs/dbraw/zinc/10/33/36/429103336.db2.gz MHZHPHCZUBSTTI-PVXIVEMSSA-N 2 0 311.495 2.618 20 0 DFADRP CCC[C@@H]([NH2+]C1CCC(N2CC[NH2+]CC2)CC1)c1ccccn1 ZINC000423511133 429103811 /nfs/dbraw/zinc/10/38/11/429103811.db2.gz NJGQLHZAVCPRRU-FAFZWHIHSA-N 2 0 316.493 2.729 20 0 DFADRP CCN(C(=O)CC[C@H](C)[NH3+])[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000434685994 429104801 /nfs/dbraw/zinc/10/48/01/429104801.db2.gz SMRRMUQGFDIGTG-JZXOWHBKSA-N 2 0 317.477 2.798 20 0 DFADRP C1C[NH+](C2CCC([NH2+]C3C4CC5CC(C4)CC3C5)CC2)CCN1 ZINC000423520183 429105705 /nfs/dbraw/zinc/10/57/05/429105705.db2.gz QZLDLODTEDDFMQ-UHFFFAOYSA-N 2 0 317.521 2.617 20 0 DFADRP C[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+]CCC2=CC[NH2+]CC2)CC1 ZINC000423535110 429110799 /nfs/dbraw/zinc/11/07/99/429110799.db2.gz CBEYUFKVWPQLKN-VQIMIIECSA-N 3 0 305.510 2.929 20 0 DFADRP C[C@@H]1CCN(C(=O)CC[C@@H]([NH3+])CC2CCCCC2)C[C@H]1C[NH3+] ZINC000424209222 429110781 /nfs/dbraw/zinc/11/07/81/429110781.db2.gz ZKNFTZBXUFITMI-DJIMGWMZSA-N 2 0 309.498 2.508 20 0 DFADRP CC[N@@H+]1CC[C@H](N(C)C[C@H](C[NH3+])c2ccc(F)cc2)C[C@@H]1C ZINC000424275367 429118102 /nfs/dbraw/zinc/11/81/02/429118102.db2.gz AUOJYSTYIKPAGT-ZVZYQTTQSA-N 2 0 307.457 2.673 20 0 DFADRP COC(=O)CC1CC([NH2+]Cc2cccc(C[N@H+](C)C(C)C)c2)C1 ZINC000424276701 429118204 /nfs/dbraw/zinc/11/82/04/429118204.db2.gz YYMRNPGZFVWCQX-UHFFFAOYSA-N 2 0 318.461 2.958 20 0 DFADRP C[C@H]1CC2(C[N@@H+]1CC(=O)NCCC1CCCCC1)CC[NH2+]CC2 ZINC000424284120 429120058 /nfs/dbraw/zinc/12/00/58/429120058.db2.gz CONCCYLTNHRGEW-INIZCTEOSA-N 2 0 321.509 2.537 20 0 DFADRP C[C@@H]1CC2(C[N@@H+]1Cc1cccc(-n3cccn3)c1)CC[NH2+]CC2 ZINC000424298977 429122472 /nfs/dbraw/zinc/12/24/72/429122472.db2.gz VDBSTEIFIKTCAK-MRXNPFEDSA-N 2 0 310.445 2.836 20 0 DFADRP CC[NH+](CC)C[C@@H]1CCN(C[C@@H](C[NH3+])c2ccc(F)cc2)C1 ZINC000424308320 429124109 /nfs/dbraw/zinc/12/41/09/429124109.db2.gz ZPMOGBIQJQERJM-DOTOQJQBSA-N 2 0 307.457 2.532 20 0 DFADRP Cc1nccn1C[C@@H]1CCC[N@@H+]1C[C@@H](C[NH3+])c1ccc(F)cc1 ZINC000424308138 429125094 /nfs/dbraw/zinc/12/50/94/429125094.db2.gz ZFVUDNOVGZIJID-AEFFLSMTSA-N 2 0 316.424 2.538 20 0 DFADRP CN1CC[N@H+](C[C@@H](C[NH3+])c2ccc(F)cc2)Cc2ccccc21 ZINC000424307462 429125425 /nfs/dbraw/zinc/12/54/25/429125425.db2.gz XPLUWLIMLCEWKT-QGZVFWFLSA-N 2 0 313.420 2.820 20 0 DFADRP [NH3+][C@@H]1CCCC[C@H]1[NH2+]CCCc1nc(-c2cccs2)no1 ZINC000424331285 429127915 /nfs/dbraw/zinc/12/79/15/429127915.db2.gz JLNDFYUDGMMMMN-VXGBXAGGSA-N 2 0 306.435 2.590 20 0 DFADRP [NH3+][C@@H]1CCCC[C@H]1[NH2+]CCOc1ccc(Br)cc1 ZINC000424334150 429128847 /nfs/dbraw/zinc/12/88/47/429128847.db2.gz NDIAQWHPEXGIKA-ZIAGYGMSSA-N 2 0 313.239 2.687 20 0 DFADRP CC(C)C[C@@H]([NH3+])CN1C[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C1 ZINC000424373265 429130874 /nfs/dbraw/zinc/13/08/74/429130874.db2.gz XLIMWKQKEHSFHD-IPMKNSEASA-N 2 0 301.478 2.566 20 0 DFADRP C[C@@H](CC(=O)Nc1cccc(Cl)c1)[NH2+][C@@H]1CCCC[C@H]1[NH3+] ZINC000424366741 429131414 /nfs/dbraw/zinc/13/14/14/429131414.db2.gz JJITWXGQVCDKGN-NILFDRSVSA-N 2 0 309.841 2.917 20 0 DFADRP C[C@@H]1CC2(C[N@@H+]1Cc1cn(C)nc1C(C)(C)C)CC[NH2+]CC2 ZINC000424377042 429131695 /nfs/dbraw/zinc/13/16/95/429131695.db2.gz LPHQNHXKBSCKNS-CQSZACIVSA-N 2 0 304.482 2.682 20 0 DFADRP COc1ccc(OC)c(C[N@@H+]2CC3(C[C@H]2C)CC[NH2+]CC3)c1 ZINC000424373490 429131777 /nfs/dbraw/zinc/13/17/77/429131777.db2.gz HDFKNXSJKZBLDV-CQSZACIVSA-N 2 0 304.434 2.668 20 0 DFADRP C[C@H]1C[C@H](C[NH3+])C[N@@H+]1Cc1ccc(OCc2ccccn2)cc1 ZINC000435374241 429132677 /nfs/dbraw/zinc/13/26/77/429132677.db2.gz XBYPAMMJTSUMQY-DOTOQJQBSA-N 2 0 311.429 2.830 20 0 DFADRP C[C@H]1CC2(C[N@@H+]1Cc1cccc3c1OCCCO3)CC[NH2+]CC2 ZINC000424385088 429132843 /nfs/dbraw/zinc/13/28/43/429132843.db2.gz VVOXKNDKGOETEA-HNNXBMFYSA-N 2 0 316.445 2.812 20 0 DFADRP COc1ccc(-c2ccncc2)cc1C[N@@H+]1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000435373222 429133207 /nfs/dbraw/zinc/13/32/07/429133207.db2.gz CYMUDYBCVILANL-RHSMWYFYSA-N 2 0 311.429 2.926 20 0 DFADRP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)CC[C@@H]2CCC[NH2+]2)C1 ZINC000494637788 429133452 /nfs/dbraw/zinc/13/34/52/429133452.db2.gz NCSRGQGNKGXHSJ-SQNIBIBYSA-N 2 0 321.509 2.632 20 0 DFADRP COc1ccncc1C[N@@H+]1CC[C@H](CNc2cc(C)cc[nH+]2)C1 ZINC000376544821 429133580 /nfs/dbraw/zinc/13/35/80/429133580.db2.gz FHHUUJAPMMNGPD-OAHLLOKOSA-N 2 0 312.417 2.728 20 0 DFADRP Cc1ccc(C[NH+]2CCC(n3ncc4c3C[NH2+]C4)CC2)cc1F ZINC000424382348 429134594 /nfs/dbraw/zinc/13/45/94/429134594.db2.gz RZNWJJPGXSHYEV-UHFFFAOYSA-N 2 0 314.408 2.771 20 0 DFADRP O=C(CC[C@H]1CCC[NH2+]1)N1CCC[N@H+](CC2CCCCC2)CC1 ZINC000494640576 429134627 /nfs/dbraw/zinc/13/46/27/429134627.db2.gz BIJCNTOPVILJSF-GOSISDBHSA-N 2 0 321.509 2.633 20 0 DFADRP [NH3+][C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3OCc3cccnc3)C[C@H]12 ZINC000435387561 429135364 /nfs/dbraw/zinc/13/53/64/429135364.db2.gz APZTYBUKGSIDDK-YTQUADARSA-N 2 0 323.440 2.830 20 0 DFADRP Cc1nn(-c2ccc(F)cc2F)c(C)c1C[N@@H+]1CC[C@H](C[NH3+])C1 ZINC000435388659 429135801 /nfs/dbraw/zinc/13/58/01/429135801.db2.gz IIGUGSYINRQNCU-CYBMUJFWSA-N 2 0 320.387 2.548 20 0 DFADRP C[C@H]1CC[C@H](C[N@H+](C)C2CCN(Cc3ccncc3)CC2)O1 ZINC000376559949 429136963 /nfs/dbraw/zinc/13/69/63/429136963.db2.gz AZONGGDMMSVCAN-MAUKXSAKSA-N 2 0 303.450 2.545 20 0 DFADRP [NH3+][C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3OCc3cccnc3)C[C@@H]12 ZINC000435387560 429136989 /nfs/dbraw/zinc/13/69/89/429136989.db2.gz APZTYBUKGSIDDK-QXAKKESOSA-N 2 0 323.440 2.830 20 0 DFADRP C[C@H](CC(=O)Nc1ccc(F)cc1)[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000363918572 429138935 /nfs/dbraw/zinc/13/89/35/429138935.db2.gz CZJIQDQEQHCVKD-XOKHGSTOSA-N 2 0 319.424 2.759 20 0 DFADRP Cc1cc(C[NH3+])cc(NC(=O)NC2CCC(C[NH+](C)C)CC2)c1 ZINC000424440532 429141409 /nfs/dbraw/zinc/14/14/09/429141409.db2.gz UVCHIILLUIILAN-UHFFFAOYSA-N 2 0 318.465 2.696 20 0 DFADRP CC[N@@H+]1CC[C@H](N(C)C(=O)Nc2cc(C)cc(C[NH3+])c2)[C@H](C)C1 ZINC000424442227 429141703 /nfs/dbraw/zinc/14/17/03/429141703.db2.gz XPHZLGKTRLSNNU-PBHICJAKSA-N 2 0 318.465 2.648 20 0 DFADRP COc1cc(C[N@H+](C)[C@@H]2CCC[NH2+]CC2)cc(Cl)c1OC ZINC000435448187 429142057 /nfs/dbraw/zinc/14/20/57/429142057.db2.gz TZHNSVDSIACZCT-CYBMUJFWSA-N 2 0 312.841 2.931 20 0 DFADRP C[NH+](C)CC1(C(=O)NCC[N@H+](C)C2CCCCC2)CCCCC1 ZINC000494866448 429160462 /nfs/dbraw/zinc/16/04/62/429160462.db2.gz YCFCSQSCNUMPAH-UHFFFAOYSA-N 2 0 323.525 2.879 20 0 DFADRP C[C@H]1CCCC[C@H]1C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C ZINC000424649514 429169864 /nfs/dbraw/zinc/16/98/64/429169864.db2.gz AVLKOUFIQLOWEE-DLBZAZTESA-N 2 0 311.514 2.545 20 0 DFADRP OCCCCC[N@@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000310010750 275045640 /nfs/dbraw/zinc/04/56/40/275045640.db2.gz KFEJAVSKPNNPAY-RBUKOAKNSA-N 2 0 302.462 2.603 20 0 DFADRP COc1ccc(C[NH2+]Cc2ccc(F)c(C[NH+](C)C)c2)cn1 ZINC000436253427 429192377 /nfs/dbraw/zinc/19/23/77/429192377.db2.gz PFDBGVOSCBPYBB-UHFFFAOYSA-N 2 0 303.381 2.581 20 0 DFADRP [NH3+]C1CCC([NH2+]Cc2cccc(OCC(F)(F)F)c2)CC1 ZINC000437773714 429208257 /nfs/dbraw/zinc/20/82/57/429208257.db2.gz MDZDJRHOWNLBTQ-UHFFFAOYSA-N 2 0 302.340 2.987 20 0 DFADRP CC[C@@H](F)C[N@H+](C)CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000440792138 429228400 /nfs/dbraw/zinc/22/84/00/429228400.db2.gz QQDAPLLLSVDBEQ-QGZVFWFLSA-N 2 0 313.505 2.863 20 0 DFADRP CCC[NH+](CCC)CCCC(=O)N1CC[N@H+](C)[C@H](C(C)C)C1 ZINC000489323259 429228864 /nfs/dbraw/zinc/22/88/64/429228864.db2.gz NQQXSFAIBQKWCY-KRWDZBQOSA-N 2 0 311.514 2.687 20 0 DFADRP CC(C)N(C)c1ccc(C[N@@H+]2CCCC23CC[NH+](C)CC3)cn1 ZINC000365250639 429286000 /nfs/dbraw/zinc/28/60/00/429286000.db2.gz AJOYNBPPRDPWFN-UHFFFAOYSA-N 2 0 316.493 2.986 20 0 DFADRP C[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+]CC2([S@](C)=O)CC2)CC1 ZINC000442819524 429237714 /nfs/dbraw/zinc/23/77/14/429237714.db2.gz IIVDBSVTORWQGA-NVAPDCRFSA-N 2 0 312.523 2.530 20 0 DFADRP COc1ccc(-c2n[nH]cc2C[N@@H+]2CCC[C@@H](CC[NH3+])C2)cc1 ZINC000442926546 429241340 /nfs/dbraw/zinc/24/13/40/429241340.db2.gz YXXOMRTUPLTNJR-AWEZNQCLSA-N 2 0 314.433 2.646 20 0 DFADRP CC[NH+](CC)CCC[NH2+][C@@H](C)C1CN(C(=O)OC(C)(C)C)C1 ZINC000495734077 429256371 /nfs/dbraw/zinc/25/63/71/429256371.db2.gz KEKZMSWDQAYTDH-AWEZNQCLSA-N 2 0 313.486 2.563 20 0 DFADRP CC[C@@H]([NH2+]Cc1ccc(N2CC[NH+](C)CC2)nc1)C1CCCC1 ZINC000449070967 429323484 /nfs/dbraw/zinc/32/34/84/429323484.db2.gz GKFPWVSIMWOZDW-GOSISDBHSA-N 2 0 316.493 2.892 20 0 DFADRP COCC[N@H+](C)CCC[NH2+]Cc1cccc2c(OC)cccc12 ZINC000449080483 429326641 /nfs/dbraw/zinc/32/66/41/429326641.db2.gz WOOAUSANOUYRCZ-UHFFFAOYSA-N 2 0 316.445 2.906 20 0 DFADRP C[C@@H]1CC[C@H](C)[C@@H]([NH2+]Cc2ccnc(N3CC[NH+](C)CC3)c2)C1 ZINC000449081705 429327916 /nfs/dbraw/zinc/32/79/16/429327916.db2.gz HHIRQIBXRSEEHO-RYRKJORJSA-N 2 0 316.493 2.748 20 0 DFADRP O[C@H](C[NH2+]C1CCC(OC2CCCC2)CC1)C[NH+]1CCCCC1 ZINC000449094942 429330452 /nfs/dbraw/zinc/33/04/52/429330452.db2.gz VCTBTVLYIFODKO-TVRKMHQQSA-N 2 0 324.509 2.693 20 0 DFADRP C[C@@H]([NH2+]C1CC1)C(=O)Nc1ccc(C[NH+]2CCC(C)CC2)cc1 ZINC000449094994 429331691 /nfs/dbraw/zinc/33/16/91/429331691.db2.gz VKXBMHHCIPQAEP-OAHLLOKOSA-N 2 0 315.461 2.998 20 0 DFADRP Cn1cc(C[NH2+]CCCC[NH+](C)C)c(-c2ccc(F)cc2)n1 ZINC000449103982 429332727 /nfs/dbraw/zinc/33/27/27/429332727.db2.gz CZKMRDJTXXFLBQ-UHFFFAOYSA-N 2 0 304.413 2.658 20 0 DFADRP Cc1nc(CN2CCC(C[NH2+][C@@H]3CSC[C@@H]3C)CC2)oc1C ZINC000449120308 429336588 /nfs/dbraw/zinc/33/65/88/429336588.db2.gz CMJMNSVGDFYRKW-BLLLJJGKSA-N 2 0 323.506 2.845 20 0 DFADRP O=C(NC1CC[NH+](C2CCC2)CC1)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC000456684291 429337429 /nfs/dbraw/zinc/33/74/29/429337429.db2.gz NJZPMBQGXHGAQJ-GOSISDBHSA-N 2 0 319.493 2.527 20 0 DFADRP Cc1cccc(CC[NH2+]C[C@]2(O)CCN(Cc3ccccc3)C2)c1 ZINC000449164464 429347889 /nfs/dbraw/zinc/34/78/89/429347889.db2.gz PYCNBPKQAKBNAW-OAQYLSRUSA-N 2 0 324.468 2.764 20 0 DFADRP CCCn1c(C[NH2+]C[C@@H]2CCn3ccnc3C2)nc2ccccc21 ZINC000365561857 429341774 /nfs/dbraw/zinc/34/17/74/429341774.db2.gz YEJXUQXPJHUOQV-OAHLLOKOSA-N 2 0 323.444 2.995 20 0 DFADRP CCC[C@@H](O)C[NH2+]C1CC[NH+]([C@@H](C)Cc2ccccc2)CC1 ZINC000449142685 429342761 /nfs/dbraw/zinc/34/27/61/429342761.db2.gz GNHZIMCUROKIGB-QFBILLFUSA-N 2 0 304.478 2.833 20 0 DFADRP C[C@@H](Cc1ccccc1)[NH+]1CCC([NH2+]C[C@@](C)(O)C2CC2)CC1 ZINC000449149565 429343986 /nfs/dbraw/zinc/34/39/86/429343986.db2.gz XFWNPEMGRHRQHW-OXJNMPFZSA-N 2 0 316.489 2.833 20 0 DFADRP C[C@H](N[C@H]1CCN(C(C)(C)C)C1=O)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000425431048 429295098 /nfs/dbraw/zinc/29/50/98/429295098.db2.gz GYVOCYXGHPLTEX-ZOBUZTSGSA-N 2 0 321.509 2.628 20 0 DFADRP C[C@@H]1C[N@H+](CCC[NH2+][C@@H]2CCCC[C@H]2[C@@H]2CCOC2)CCCO1 ZINC000365315314 429299176 /nfs/dbraw/zinc/29/91/76/429299176.db2.gz GJSIJJVDSBPDJN-AKHDSKFASA-N 2 0 324.509 2.672 20 0 DFADRP C[C@@H]1C[C@H](C[NH2+]CCC[NH+](C)C)CCN1C(=O)OC(C)(C)C ZINC000496089042 429306055 /nfs/dbraw/zinc/30/60/55/429306055.db2.gz AZYNXLWJKPSYFQ-HUUCEWRRSA-N 2 0 313.486 2.563 20 0 DFADRP CC(C)[C@@H]1C[N@H+](C)CCN1CC[NH+](C)Cc1ccc(F)cc1 ZINC000425484637 429307372 /nfs/dbraw/zinc/30/73/72/429307372.db2.gz SMQBSEQEOLOIGF-SFHVURJKSA-N 2 0 307.457 2.530 20 0 DFADRP CCN(CC)c1ncc(CN2CCC[C@@H]([NH+](C)C)CC2)s1 ZINC000365422048 429316651 /nfs/dbraw/zinc/31/66/51/429316651.db2.gz KPXCMYFGRGGBGD-CQSZACIVSA-N 2 0 310.511 2.905 20 0 DFADRP C[C@@H]1C[C@@H]([NH2+]CC2=CCOCC2)CC[N@@H+]1Cc1ccccc1 ZINC000449402328 429407228 /nfs/dbraw/zinc/40/72/28/429407228.db2.gz LEIREDLBDSCWJF-APWZRJJASA-N 2 0 300.446 2.976 20 0 DFADRP CC(C)(C)[C@H]1C[C@H]([NH2+]Cc2cc(C3CC[NH2+]CC3)no2)CCO1 ZINC000425894418 429349728 /nfs/dbraw/zinc/34/97/28/429349728.db2.gz GMWUIGZXWZKVIL-RHSMWYFYSA-N 2 0 321.465 2.825 20 0 DFADRP COCC1(C[NH2+]Cc2cc(C3CC[NH2+]CC3)no2)CCCCC1 ZINC000425897403 429351708 /nfs/dbraw/zinc/35/17/08/429351708.db2.gz UDZSMNMHQVDFGX-UHFFFAOYSA-N 2 0 321.465 2.828 20 0 DFADRP C[C@@H](CNC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)C[NH+](C)C ZINC000425928383 429353151 /nfs/dbraw/zinc/35/31/51/429353151.db2.gz VHXJBYPSSQKAJB-OHSMVPPVSA-N 2 0 315.505 2.969 20 0 DFADRP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+][C@@H](C)CCCO)CC1 ZINC000449183999 429353475 /nfs/dbraw/zinc/35/34/75/429353475.db2.gz FDFIRECTZPLFIQ-DLBZAZTESA-N 2 0 304.478 2.833 20 0 DFADRP CCC[C@@]1([NH2+]C/C=C/C[NH2+][C@@]2(CCC)CCOC2)CCOC1 ZINC000512284536 429359285 /nfs/dbraw/zinc/35/92/85/429359285.db2.gz CNHXNTPNVUBGNP-FBLDJFESSA-N 2 0 310.482 2.640 20 0 DFADRP C/C=C/C[C@H](CO)[NH2+]C1CC[NH+]([C@@H](C)Cc2ccccc2)CC1 ZINC000449252733 429367096 /nfs/dbraw/zinc/36/70/96/429367096.db2.gz WEFDHURWKIRQGG-BPNLWIQDSA-N 2 0 316.489 2.999 20 0 DFADRP CC(C)[C@@H](C(=O)N[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1)[NH+](C)C ZINC000426218312 429374745 /nfs/dbraw/zinc/37/47/45/429374745.db2.gz WRSPUWDKGQDEFJ-SZMVWBNQSA-N 2 0 317.477 2.524 20 0 DFADRP C[C@@H](CNCC(C)(C)C[N@H+](C)Cc1ccccc1)C[NH+](C)C ZINC000491588793 429377481 /nfs/dbraw/zinc/37/74/81/429377481.db2.gz LLXPYWZJDPEXLX-KRWDZBQOSA-N 2 0 305.510 2.932 20 0 DFADRP C[C@@H](Cc1ccccc1)[NH+]1CCC([NH2+]CCc2cn[nH]c2)CC1 ZINC000449335789 429389903 /nfs/dbraw/zinc/38/99/03/429389903.db2.gz LUYBYPRCBOQTFB-INIZCTEOSA-N 2 0 312.461 2.637 20 0 DFADRP CCCC[N@@H+]1CCCC[C@H]1CNC(=O)C[C@@H]1CCC[NH2+]CC1 ZINC000427290767 429441955 /nfs/dbraw/zinc/44/19/55/429441955.db2.gz WWDMDBMNNXHKGO-SJORKVTESA-N 2 0 309.498 2.537 20 0 DFADRP C[NH+](C)CCCC(C)(C)[NH2+]Cc1cc(-c2cccnc2)n[nH]1 ZINC000449525464 429444402 /nfs/dbraw/zinc/44/44/02/429444402.db2.gz BIHOVQWIOBTJEC-UHFFFAOYSA-N 2 0 301.438 2.682 20 0 DFADRP C[C@H]1CCCC[N@@H+]1CCCCNC(=O)C[C@H]1CCC[NH2+]CC1 ZINC000427297196 429444553 /nfs/dbraw/zinc/44/45/53/429444553.db2.gz YLVMAHUOWJYXSL-IRXDYDNUSA-N 2 0 309.498 2.537 20 0 DFADRP CC1CCC([NH+]2CCC(N(C)C(=O)C3([NH3+])CCCC3)CC2)CC1 ZINC000366320949 429447336 /nfs/dbraw/zinc/44/73/36/429447336.db2.gz FVYUQOQJDZETMF-UHFFFAOYSA-N 2 0 321.509 2.759 20 0 DFADRP [NH3+]C1(C(=O)N[C@H]2CCC[N@@H+](C3CCCCC3)C2)CCCCC1 ZINC000366350068 429448837 /nfs/dbraw/zinc/44/88/37/429448837.db2.gz YYHPAJDUVYVBIJ-HNNXBMFYSA-N 2 0 307.482 2.561 20 0 DFADRP CCOC(=O)C1([C@H](C)[NH2+]C[C@@H]2CC3CCC2CC3)CC[NH2+]CC1 ZINC000519156868 429449385 /nfs/dbraw/zinc/44/93/85/429449385.db2.gz WAVIPLMAGIONJO-OTBWCIGPSA-N 2 0 322.493 2.724 20 0 DFADRP Cc1nccc(C[N@H+](C)CC2CCN(c3cc[nH+]cc3)CC2)n1 ZINC000366455011 429457074 /nfs/dbraw/zinc/45/70/74/429457074.db2.gz DUWVGSNHXWDQSJ-UHFFFAOYSA-N 2 0 311.433 2.528 20 0 DFADRP CCC1(C[NH2+][C@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)COC1 ZINC000449602450 429459742 /nfs/dbraw/zinc/45/97/42/429459742.db2.gz DHTRLDGDIDSUMQ-AEFFLSMTSA-N 2 0 302.462 2.913 20 0 DFADRP CC(C)[C@H](Cc1ccccc1)[NH2+]C[C@H](O)C[NH+]1CCC(C)CC1 ZINC000427714261 429466304 /nfs/dbraw/zinc/46/63/04/429466304.db2.gz LFDXIOLRRGQYEO-PMACEKPBSA-N 2 0 318.505 2.936 20 0 DFADRP C(CC12CC3CC(CC(C3)C1)C2)[NH+]1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000261626195 275722258 /nfs/dbraw/zinc/72/22/58/275722258.db2.gz CPMWAHCZFHTAMD-NRFBVMONSA-N 2 0 317.521 2.572 20 0 DFADRP CC[N@@H+]1CC[C@@H](N(C)C(=O)C2(C[NH+](C)C)CCCCC2)[C@@H](C)C1 ZINC000426786991 429414903 /nfs/dbraw/zinc/41/49/03/429414903.db2.gz ZWSCMBDMXAZXEM-DLBZAZTESA-N 2 0 323.525 2.687 20 0 DFADRP C[C@H](O)c1cnc(CN2CC[C@@H](CNc3ccccn3)C2)s1 ZINC000366137936 429424960 /nfs/dbraw/zinc/42/49/60/429424960.db2.gz QCFHOLQSEXCFAZ-STQMWFEESA-N 2 0 318.446 2.525 20 0 DFADRP c1ccc2c(c1)CCN2CC[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000428468635 429527993 /nfs/dbraw/zinc/52/79/93/429527993.db2.gz PFXJOYVLOJLJAB-UHFFFAOYSA-N 2 0 313.489 2.857 20 0 DFADRP CC[N@@H+]1CC[C@H]([NH+](C)C[C@@H](C)NC(=O)OC(C)(C)C)[C@H](C)C1 ZINC000492130967 429472633 /nfs/dbraw/zinc/47/26/33/429472633.db2.gz IAMWKDDWTTXEPC-KFWWJZLASA-N 2 0 313.486 2.562 20 0 DFADRP C[C@@H]1CCC[C@@H]([NH+]2CCC([NH2+][C@@H]3CCn4ccnc4C3)CC2)C1 ZINC000427873920 429475487 /nfs/dbraw/zinc/47/54/87/429475487.db2.gz LZGMSKFDTNXACO-KBAYOESNSA-N 2 0 316.493 2.831 20 0 DFADRP O=C(NCCC[C@H]1CCC[NH2+]1)c1ccc(Nc2cc[nH+]cc2)cc1 ZINC000449678549 429476867 /nfs/dbraw/zinc/47/68/67/429476867.db2.gz BIKNQTFUVNBTOX-MRXNPFEDSA-N 2 0 324.428 2.509 20 0 DFADRP CC[N@H+](C)C[C@H](O)C[NH2+][C@H]1CCCC[C@H]1Cc1ccccc1 ZINC000519803625 429490047 /nfs/dbraw/zinc/49/00/47/429490047.db2.gz SQEKWTWFHNPXKJ-OTWHNJEPSA-N 2 0 304.478 2.690 20 0 DFADRP O[C@H](C[NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]12)C1CCC1 ZINC000449738993 429493255 /nfs/dbraw/zinc/49/32/55/429493255.db2.gz HSLPLJHOUAHXJJ-IYWMVGAKSA-N 2 0 314.473 2.648 20 0 DFADRP CC[NH+]1CCN(CC(C)(C)[NH2+]Cc2ccc([C@H]3C[C@@H]3C)o2)CC1 ZINC000449748949 429497045 /nfs/dbraw/zinc/49/70/45/429497045.db2.gz DHDHAKDKHVXXQR-RDJZCZTQSA-N 2 0 319.493 2.909 20 0 DFADRP CC(C)[NH+]1CCC(C(=O)Nc2ccccc2C[NH+](C)C)CC1 ZINC000520472512 429517058 /nfs/dbraw/zinc/51/70/58/429517058.db2.gz GZTYASIDMXARSL-UHFFFAOYSA-N 2 0 303.450 2.807 20 0 DFADRP c1ccc(CSCC[NH2+]C[C@@H]2CN3CCCC[C@@H]3CO2)cc1 ZINC000366815678 429518854 /nfs/dbraw/zinc/51/88/54/429518854.db2.gz YWLJUYCQOUCILP-QZTJIDSGSA-N 2 0 320.502 2.763 20 0 DFADRP C[C@H](N[C@@H](C[NH+](C)C)c1ccc(Cl)cc1)[C@@H]1CCC[NH2+]C1 ZINC000520564868 429519847 /nfs/dbraw/zinc/51/98/47/429519847.db2.gz GNHPWJQWFGCDGJ-LXZKKBNFSA-N 2 0 309.885 2.920 20 0 DFADRP CN(CC1CC[NH+](C)CC1)C(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC000449842892 429523430 /nfs/dbraw/zinc/52/34/30/429523430.db2.gz FRBGSZUEFQVOJC-GOSISDBHSA-N 2 0 321.509 2.584 20 0 DFADRP COC1(C[NH2+]Cc2cccc(C[NH+]3CCCC3)c2)CCOCC1 ZINC000428855345 429557408 /nfs/dbraw/zinc/55/74/08/429557408.db2.gz HVWCLJNVKFILCA-UHFFFAOYSA-N 2 0 318.461 2.568 20 0 DFADRP Cc1cc(C)cc(C[N@@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@@H](C)C2)c1 ZINC000367032536 429561591 /nfs/dbraw/zinc/56/15/91/429561591.db2.gz ZWYZTBIUHDXZQA-AZUAARDMSA-N 2 0 315.505 2.761 20 0 DFADRP C[C@@H]1CN(C(=O)CC[NH+](C)C2CCCCC2)CC[N@@H+](C2CC2)C1 ZINC000521972465 429572669 /nfs/dbraw/zinc/57/26/69/429572669.db2.gz ZCQRYFPBJAEEHZ-INIZCTEOSA-N 2 0 321.509 2.584 20 0 DFADRP C[C@H]([NH2+]Cc1ccc(OC2CCCC2)nc1)[C@@H]1CCC[NH2+]C1 ZINC000521993101 429574335 /nfs/dbraw/zinc/57/43/35/429574335.db2.gz CGTXHRQXMYJEOW-GOEBONIOSA-N 2 0 303.450 2.881 20 0 DFADRP CC[C@H]1CCCCN1C(=O)C[N@@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000366885245 429533323 /nfs/dbraw/zinc/53/33/23/429533323.db2.gz PPDHOSWGICBHCX-KRWDZBQOSA-N 2 0 321.509 2.585 20 0 DFADRP C[C@@H]([NH2+]C1CC1)C(=O)N1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000521252595 429545690 /nfs/dbraw/zinc/54/56/90/429545690.db2.gz KSKOELNWBDMTDK-HZPDHXFCSA-N 2 0 321.509 2.630 20 0 DFADRP CC[N@@H+]1CC[C@H]([NH+](C)C[C@H](O)[C@@H](C)c2ccccc2)C[C@@H]1C ZINC000450466241 429633340 /nfs/dbraw/zinc/63/33/40/429633340.db2.gz IJLUKKSEUOCIBF-CAMMJAKZSA-N 2 0 304.478 2.956 20 0 DFADRP CC[N@@H+]1CC[C@H]([NH+](C)C[C@H](O)[C@@H](C)c2ccccc2)C[C@H]1C ZINC000450466244 429633443 /nfs/dbraw/zinc/63/34/43/429633443.db2.gz IJLUKKSEUOCIBF-NEPXVJNWSA-N 2 0 304.478 2.956 20 0 DFADRP CC[N@@H+]1CC[C@@H](N(C)CC[NH+](C)Cc2ccccc2)C[C@@H]1C ZINC000450465275 429633466 /nfs/dbraw/zinc/63/34/66/429633466.db2.gz DUYGNCQERDBMGW-PKOBYXMFSA-N 2 0 303.494 2.923 20 0 DFADRP CC[N@@H+]1CC[C@H](N(C)CC[NH+](C)Cc2ccccc2)[C@@H](C)C1 ZINC000450557928 429648404 /nfs/dbraw/zinc/64/84/04/429648404.db2.gz DHUNHPYLHMIWRR-HKUYNNGSSA-N 2 0 303.494 2.781 20 0 DFADRP CC[N@@H+]1CC[C@@H](N(C)CC[NH+](C)Cc2ccccc2)[C@H](C)C1 ZINC000450557932 429648450 /nfs/dbraw/zinc/64/84/50/429648450.db2.gz DHUNHPYLHMIWRR-IEBWSBKVSA-N 2 0 303.494 2.781 20 0 DFADRP CC(C)[N@H+](C)CC1CCN(C(=O)[C@H](C)[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC000523115933 429601546 /nfs/dbraw/zinc/60/15/46/429601546.db2.gz GAPDUMYSBYNUCQ-ULQDDVLXSA-N 2 0 323.525 2.827 20 0 DFADRP Cc1ccc2c(C)cc(NC[C@@H]3CCC[N@@H+]3CCCO)nc2c1 ZINC000450588490 429654239 /nfs/dbraw/zinc/65/42/39/429654239.db2.gz BLCKWNWCSGPUIE-INIZCTEOSA-N 2 0 313.445 3.110 20 0 DFADRP C[C@H]1C[N@H+](C[C@H]2CCC(F)(F)C2)CCN1C1CC[NH+](C)CC1 ZINC000450653751 429670115 /nfs/dbraw/zinc/67/01/15/429670115.db2.gz PTRHYHWTUJPNEM-GJZGRUSLSA-N 2 0 315.452 2.522 20 0 DFADRP CC(C)[N@H+](C)CC1CCN(C(=O)[C@@H](C)[NH+]2CCCCCC2)CC1 ZINC000525752071 429670776 /nfs/dbraw/zinc/67/07/76/429670776.db2.gz NYGIYERXXZDHNW-QGZVFWFLSA-N 2 0 323.525 2.830 20 0 DFADRP CC[NH+](CC)C[C@@H]1CCN(C(=O)[C@H](C)[C@@H]([NH3+])c2ccccc2)C1 ZINC000236901265 276106019 /nfs/dbraw/zinc/10/60/19/276106019.db2.gz SGGNMIWEAQJSHN-SOLBZPMBSA-N 2 0 317.477 2.513 20 0 DFADRP C[C@@H]1C[N@H+](C[C@@H]2CCC(F)(F)C2)CCN1C1CC[NH+](C)CC1 ZINC000450653752 429671340 /nfs/dbraw/zinc/67/13/40/429671340.db2.gz PTRHYHWTUJPNEM-HUUCEWRRSA-N 2 0 315.452 2.522 20 0 DFADRP CC[NH+](CC)Cc1cccc(C[NH2+][C@@H]2CC[N@H+](C)C[C@H]2C)c1 ZINC000360417049 276110311 /nfs/dbraw/zinc/11/03/11/276110311.db2.gz PSWPVQLRLHCTIF-VQIMIIECSA-N 3 0 303.494 2.958 20 0 DFADRP C[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CCN(c3ccccc3)C2)[C@H]2CCC[C@H]21 ZINC000367611163 429684002 /nfs/dbraw/zinc/68/40/02/429684002.db2.gz AMJWTZDAZSSYOS-OJAHFUOMSA-N 2 0 313.489 2.975 20 0 DFADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1sccc1C ZINC000299581182 276183819 /nfs/dbraw/zinc/18/38/19/276183819.db2.gz BAVHNNVQXYJYNT-HNNXBMFYSA-N 2 0 323.506 2.545 20 0 DFADRP CC[NH+]1CCN(c2ccccc2C[NH+]2C[C@H](C)[C@@H](C)C2)CC1 ZINC000353884918 276203621 /nfs/dbraw/zinc/20/36/21/276203621.db2.gz ZDANZVMCJIHFHQ-IRXDYDNUSA-N 2 0 301.478 2.916 20 0 DFADRP C[NH+](C)Cc1cc(C[NH2+][C@H]2CCCc3n[nH]cc32)ccc1F ZINC000367603089 429682222 /nfs/dbraw/zinc/68/22/22/429682222.db2.gz YFAFZWGEGXWFPD-INIZCTEOSA-N 2 0 302.397 2.778 20 0 DFADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@@](C)(Cc2ccccc2)[C@@H](C)O)[C@H](C)C1 ZINC000188908593 276229384 /nfs/dbraw/zinc/22/93/84/276229384.db2.gz YORGDJFQHGSRJE-IZBJGVDFSA-N 2 0 318.505 2.936 20 0 DFADRP CC[N@@H+]1CC[C@H]([NH2+][C@@H](C)c2ccc(NC(N)=O)cc2)[C@@H](C)C1 ZINC000247960608 276230256 /nfs/dbraw/zinc/23/02/56/276230256.db2.gz GELXSTLMFXDLPQ-XEZPLFJOSA-N 2 0 304.438 2.558 20 0 DFADRP CCC[C@H](C(=O)N1CCC[C@H](C[N@@H+]2CCCC[C@@H]2C)C1)[NH+](C)C ZINC000158046928 276281656 /nfs/dbraw/zinc/28/16/56/276281656.db2.gz NZKQYCIQSSWZJA-RCCFBDPRSA-N 2 0 323.525 2.830 20 0 DFADRP CC[NH+](CC)C[C@H]1CCCC[C@@H]1[NH2+]CCn1nc(C)cc1C ZINC000450763120 429692856 /nfs/dbraw/zinc/69/28/56/429692856.db2.gz SZJKMPOXSIBNMR-MSOLQXFVSA-N 2 0 306.498 2.990 20 0 DFADRP C[N@@H+](Cc1ccnn1-c1ccccc1)C[C@@H]1CCn2ccnc2C1 ZINC000367659050 429693074 /nfs/dbraw/zinc/69/30/74/429693074.db2.gz RZTQKIGJZCKPBQ-MRXNPFEDSA-N 2 0 321.428 2.763 20 0 DFADRP CC[NH+]1CCC(NC(=O)C[N@@H+]2CCC[C@@H]2C2CCCCC2)CC1 ZINC000079905476 276359500 /nfs/dbraw/zinc/35/95/00/276359500.db2.gz YJWUXTIOQOTUNO-GOSISDBHSA-N 2 0 321.509 2.632 20 0 DFADRP CC(C)CCN(CCC(C)C)C(=O)C[NH+]1CCC(C[NH3+])CC1 ZINC000430610486 429701397 /nfs/dbraw/zinc/70/13/97/429701397.db2.gz KUTONKXDLAFAEL-UHFFFAOYSA-N 2 0 311.514 2.578 20 0 DFADRP O=C(Nc1ccccc1)c1ccc(CN2CCC[NH2+]CC2)cc1 ZINC000430632942 429702545 /nfs/dbraw/zinc/70/25/45/429702545.db2.gz ZMEWONHIJRETAT-UHFFFAOYSA-N 2 0 309.413 2.734 20 0 DFADRP C[NH2+]C[C@@H]1CCCN(Cc2ncc(-c3ccc(OC)cc3)o2)C1 ZINC000430632495 429703079 /nfs/dbraw/zinc/70/30/79/429703079.db2.gz YLMPNMYKYPRLKU-AWEZNQCLSA-N 2 0 315.417 2.782 20 0 DFADRP [NH3+]C[C@@H]1CCC[N@H+](CCC(=O)Nc2cccc3ccccc32)C1 ZINC000430632064 429703210 /nfs/dbraw/zinc/70/32/10/429703210.db2.gz WMEQLESYRJQHGT-HNNXBMFYSA-N 2 0 311.429 2.839 20 0 DFADRP C[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+]CCC2(O)CCOCC2)CC1 ZINC000367711029 429705030 /nfs/dbraw/zinc/70/50/30/429705030.db2.gz ZZBQNQZERPTODL-SJLPKXTDSA-N 2 0 324.509 2.551 20 0 DFADRP C[C@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]CCC2(O)CCOCC2)CC1 ZINC000367711030 429705480 /nfs/dbraw/zinc/70/54/80/429705480.db2.gz ZZBQNQZERPTODL-WMZOPIPTSA-N 2 0 324.509 2.551 20 0 DFADRP C[N@H+](C[C@H](O)c1ccc(Cl)cc1)C[C@H]1CCn2ccnc2C1 ZINC000367721459 429706692 /nfs/dbraw/zinc/70/66/92/429706692.db2.gz OHYXSDMXZWPFPW-BBRMVZONSA-N 2 0 319.836 2.764 20 0 DFADRP C[C@@H](CNC(=O)[C@@H](C)[C@H]([NH3+])c1ccccc1)[N@@H+]1CCCC[C@@H]1C ZINC000430748241 429713944 /nfs/dbraw/zinc/71/39/44/429713944.db2.gz PNUOWNIULKBGAC-OVWQWFNUSA-N 2 0 317.477 2.702 20 0 DFADRP CCC(CC)(CNC(=O)[C@H]([NH3+])C(C)C)[NH2+][C@@H](C)c1ccccc1 ZINC000430734302 429713968 /nfs/dbraw/zinc/71/39/68/429713968.db2.gz LVLGCCLBEMSLRK-DOTOQJQBSA-N 2 0 319.493 2.996 20 0 DFADRP C[NH+](C)CCOC1CC[NH+](CCSCc2ccccc2)CC1 ZINC000430759955 429714999 /nfs/dbraw/zinc/71/49/99/429714999.db2.gz HRLJWWKVZCHCBM-UHFFFAOYSA-N 2 0 322.518 2.962 20 0 DFADRP C[C@H](CC(=O)Nc1ccc(CC[NH+](C)C)cc1)[C@H]1CCC[NH2+]C1 ZINC000430877520 429721325 /nfs/dbraw/zinc/72/13/25/429721325.db2.gz YRYNWHUMNBVIGX-WBVHZDCISA-N 2 0 317.477 2.755 20 0 DFADRP C[C@H]([NH3+])C1CC[NH+](Cc2ccn(-c3ccc(F)cc3)n2)CC1 ZINC000430924671 429724511 /nfs/dbraw/zinc/72/45/11/429724511.db2.gz BEOOHCOYUQMCDF-ZDUSSCGKSA-N 2 0 302.397 2.571 20 0 DFADRP CSc1ccc(NC(=O)[C@@H](C)[NH+]2CCC([C@@H](C)[NH3+])CC2)cc1 ZINC000430955493 429729028 /nfs/dbraw/zinc/72/90/28/429729028.db2.gz AQHNLGJBOLMZFS-CHWSQXEVSA-N 2 0 321.490 2.795 20 0 DFADRP c1cn(Cc2ccccc2)c(C[NH+]2CCC3(CC[NH2+]C3)CC2)n1 ZINC000430951712 429729630 /nfs/dbraw/zinc/72/96/30/429729630.db2.gz MSDUWDIVRJXFQX-UHFFFAOYSA-N 2 0 310.445 2.507 20 0 DFADRP C[C@@H]1CCc2nc(C[NH+]3CCC4(CC[NH2+]C4)CC3)sc2C1 ZINC000430958002 429730195 /nfs/dbraw/zinc/73/01/95/429730195.db2.gz VTAUSNCBMYMWND-CYBMUJFWSA-N 2 0 305.491 2.843 20 0 DFADRP C[C@@H](C(=O)Nc1cccc(Cl)c1)[NH+]1CCC2(CC[NH2+]C2)CC1 ZINC000431024056 429735442 /nfs/dbraw/zinc/73/54/42/429735442.db2.gz ULMWLVOCHBCVJP-ZDUSSCGKSA-N 2 0 321.852 2.743 20 0 DFADRP C[C@@H](C(=O)Nc1ccc(Cl)cc1)[NH+]1CCC2(CC[NH2+]C2)CC1 ZINC000431025871 429735778 /nfs/dbraw/zinc/73/57/78/429735778.db2.gz PWDQIAOBLJNNSG-ZDUSSCGKSA-N 2 0 321.852 2.743 20 0 DFADRP C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)C2([NH3+])CCCCC2)C1 ZINC000431062427 429738120 /nfs/dbraw/zinc/73/81/20/429738120.db2.gz QCTLHQKCCFCFNS-WBVHZDCISA-N 2 0 315.461 2.600 20 0 DFADRP C[C@@H]1[C@@H](Cc2ccccc2)CC[N@@H+]1Cc1nc(C(C)(C)[NH3+])no1 ZINC000431095500 429742377 /nfs/dbraw/zinc/74/23/77/429742377.db2.gz FUUPPVFWCGLIQJ-UKRRQHHQSA-N 2 0 314.433 2.717 20 0 DFADRP C[C@@H]1C[N@@H+]2CCC[C@H]2CN1Cc1cncn1Cc1ccccc1 ZINC000527324971 429743432 /nfs/dbraw/zinc/74/34/32/429743432.db2.gz UVAKJRMPRDGYSZ-AEFFLSMTSA-N 2 0 310.445 2.600 20 0 DFADRP C[C@@H](c1ccccc1)[C@H](O)C[N@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000450984590 429744264 /nfs/dbraw/zinc/74/42/64/429744264.db2.gz WWXJMWSKFXTYLC-KEVQOFRZSA-N 2 0 302.462 2.708 20 0 DFADRP C[N@@H+]1CCCC[C@@H]1CC[NH+]1CC[C@@H](n2cnc3c2CCCC3)C1 ZINC000432093046 429801641 /nfs/dbraw/zinc/80/16/41/429801641.db2.gz ZYHGJNSRHMPBLJ-IAGOWNOFSA-N 2 0 316.493 2.883 20 0 DFADRP c1cnn(-c2cccc(C[NH2+]C[C@@H]3CCN3C3CCCC3)c2)c1 ZINC000527811949 429804401 /nfs/dbraw/zinc/80/44/01/429804401.db2.gz ZJCRHNNNXCKBPA-IBGZPJMESA-N 2 0 310.445 2.979 20 0 DFADRP CC(C)C[C@]1(C)CCC[N@@H+]1CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000451293980 429805190 /nfs/dbraw/zinc/80/51/90/429805190.db2.gz XFDMZMYRONMMQC-IBGZPJMESA-N 2 0 321.509 2.630 20 0 DFADRP CC(C)C[C@@]1(C)CCC[N@@H+]1CC(=O)NC1CC[NH+](C(C)C)CC1 ZINC000451293100 429805686 /nfs/dbraw/zinc/80/56/86/429805686.db2.gz UYSNJPWLBYOVNF-LJQANCHMSA-N 2 0 323.525 2.876 20 0 DFADRP Cc1cc(C[N@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@H]32)cc(C)c1O ZINC000368018204 429768654 /nfs/dbraw/zinc/76/86/54/429768654.db2.gz IZPSMOCEQCFEID-RCCFBDPRSA-N 2 0 318.461 2.693 20 0 DFADRP C[N@@H+]1CCCC[C@H]1CCC(=O)NC1CC[NH+](C(C)(C)C)CC1 ZINC000431729386 429778595 /nfs/dbraw/zinc/77/85/95/429778595.db2.gz COWXTYWRRDFNFC-INIZCTEOSA-N 2 0 309.498 2.630 20 0 DFADRP C[C@@H]1CCC[N@H+](CCNC(=O)[C@@H]2CCCC[NH+]2C2CCCC2)C1 ZINC000431749387 429780303 /nfs/dbraw/zinc/78/03/03/429780303.db2.gz KVAHYJPDPSOMTO-AEFFLSMTSA-N 2 0 321.509 2.632 20 0 DFADRP C[N@@H+]1CCCC[C@@H]1CCC(=O)N1CCC[NH+](C2CCCC2)CC1 ZINC000431782892 429782619 /nfs/dbraw/zinc/78/26/19/429782619.db2.gz HNCRFVURUHNNBQ-QGZVFWFLSA-N 2 0 321.509 2.728 20 0 DFADRP c1nc2c([nH]1)C[C@@H]([NH2+]C1CC[NH+](C3CCCCC3)CC1)CC2 ZINC000368087853 429783539 /nfs/dbraw/zinc/78/35/39/429783539.db2.gz COMBUKOILPVRAM-HNNXBMFYSA-N 2 0 302.466 2.654 20 0 DFADRP CCC1(CC)[C@H]([NH2+]CCC[N@@H+]2CCCO[C@H](C)C2)C[C@@H]1OC ZINC000432413436 429822065 /nfs/dbraw/zinc/82/20/65/429822065.db2.gz MMRFYBNUMIAWTH-ZACQAIPSSA-N 2 0 312.498 2.671 20 0 DFADRP C[N@@H+]1CC[C@H]([NH2+]C[C@]2(C)COc3ccccc3O2)[C@@H]2CCC[C@H]21 ZINC000527935538 429823370 /nfs/dbraw/zinc/82/33/70/429823370.db2.gz ZWIMAWLIZAPSOV-YIOZNXECSA-N 2 0 316.445 2.679 20 0 DFADRP CC(C)[C@H](Cn1cccn1)[NH2+]C[C@@H]1CCN1C1CCCCC1 ZINC000527948995 429827234 /nfs/dbraw/zinc/82/72/34/429827234.db2.gz NPNDYJDNOAVZSD-ROUUACIJSA-N 2 0 304.482 2.904 20 0 DFADRP c1ccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@@H]([NH2+]CC24CC(C2)CO4)C3)cc1 ZINC000527977500 429829151 /nfs/dbraw/zinc/82/91/51/429829151.db2.gz GDVFNRWWJCULFI-NNUJQTDSSA-N 2 0 312.457 2.951 20 0 DFADRP Cc1ncc(C[N@@H+]2CC[C@@H](Nc3cc[nH+]c(C)c3)[C@H](C)C2)s1 ZINC000368410507 429844469 /nfs/dbraw/zinc/84/44/69/429844469.db2.gz LLRZNCGUDBKVKF-SJKOYZFVSA-N 2 0 316.474 2.899 20 0 DFADRP Cc1cc(NCCC[N@@H+]2CCCO[C@H](C)C2)c2ccccc2[nH+]1 ZINC000432866522 429845843 /nfs/dbraw/zinc/84/58/43/429845843.db2.gz LVDGJTHCCDEUST-MRXNPFEDSA-N 2 0 313.445 2.878 20 0 DFADRP CO[C@H](c1ccccc1)[C@H](C)[NH2+]C[C@@H]1CN(CC(C)C)CCO1 ZINC000493900291 429847735 /nfs/dbraw/zinc/84/77/35/429847735.db2.gz KXRNHIOPBCRKFG-UHOSZYNNSA-N 2 0 320.477 2.709 20 0 DFADRP C[N@H+](Cc1ccccc1)CC(C)(C)C[NH2+][C@H]1C[C@H](O)C1(C)C ZINC000494481734 429876904 /nfs/dbraw/zinc/87/69/04/429876904.db2.gz BRMLDMLNGSGPEB-IRXDYDNUSA-N 2 0 304.478 2.894 20 0 DFADRP CC[N@H+](C)C[C@H]1CC[NH+](C[C@@H](Cc2ccc(F)cc2)OC)C1 ZINC000528399053 429884878 /nfs/dbraw/zinc/88/48/78/429884878.db2.gz QXWITSIBNIGACW-SJLPKXTDSA-N 2 0 308.441 2.657 20 0 DFADRP Cc1nn(C(C)C)cc1CN1C[C@@H]2C[N@@H+]3CCCC[C@@H]3[C@H]2C1 ZINC000369186890 429918354 /nfs/dbraw/zinc/91/83/54/429918354.db2.gz GCDOVHCYHSJNFJ-FGTMMUONSA-N 2 0 302.466 2.689 20 0 DFADRP CN(CC[N@@H+]1CC[C@@H]2C[C@H](O)CC[C@@H]2C1)Cc1ccccc1 ZINC000451704708 429873984 /nfs/dbraw/zinc/87/39/84/429873984.db2.gz XLSOJWAPKRDLRU-GUDVDZBRSA-N 2 0 302.462 2.601 20 0 DFADRP CN(CC[N@@H+]1CC[C@@H]2C[C@@H](O)CC[C@@H]2C1)Cc1ccccc1 ZINC000451704709 429874629 /nfs/dbraw/zinc/87/46/29/429874629.db2.gz XLSOJWAPKRDLRU-QRVBRYPASA-N 2 0 302.462 2.601 20 0 DFADRP Fc1cncc(C[NH2+]CC2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000494468130 429875303 /nfs/dbraw/zinc/87/53/03/429875303.db2.gz IHQRWMUUNVHAIJ-UHFFFAOYSA-N 2 0 300.381 2.622 20 0 DFADRP CC[N@H+]1[C@H](C)CN([C@H]2CC[NH+](Cc3ccccc3)C2)C[C@@H]1C ZINC000639743100 429964146 /nfs/dbraw/zinc/96/41/46/429964146.db2.gz IZTFMKCYDJGCNS-SCTDSRPQSA-N 2 0 301.478 2.675 20 0 DFADRP COc1ccc(COCC[N@@H+]2CCC3(C2)CC[NH+](C)CC3)cc1 ZINC000639757959 429970315 /nfs/dbraw/zinc/97/03/15/429970315.db2.gz NMXSXZOEJZIIMZ-UHFFFAOYSA-N 2 0 318.461 2.630 20 0 DFADRP CO[C@@H](Cc1ccccc1)C[N@@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC000639756635 429970392 /nfs/dbraw/zinc/97/03/92/429970392.db2.gz ZSIXKTBWICXEKA-SFHVURJKSA-N 2 0 302.462 2.662 20 0 DFADRP C[NH+]1CCC2(CC[N@H+](Cc3nccn3Cc3ccccc3)C2)CC1 ZINC000639758208 429970572 /nfs/dbraw/zinc/97/05/72/429970572.db2.gz QJBWIOLJOCQKJM-UHFFFAOYSA-N 2 0 324.472 2.849 20 0 DFADRP C[NH+](C)[C@@H](CNC1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccc(Cl)cc1 ZINC000573674923 429971695 /nfs/dbraw/zinc/97/16/95/429971695.db2.gz NPJAFGRNVODBTF-WFVVYAPDSA-N 2 0 307.869 2.815 20 0 DFADRP Cc1cc(C)c(CN(CC[NH+](C)C)Cc2ccccn2)c(C)n1 ZINC000639661231 429937323 /nfs/dbraw/zinc/93/73/23/429937323.db2.gz PGKQXQOFJMTGDL-UHFFFAOYSA-N 2 0 312.461 2.966 20 0 DFADRP CC(C)[NH+]1CCN([C@@H]2CC[N@H+](C/C=C/c3ccccc3)C2)CC1 ZINC000369399211 429937689 /nfs/dbraw/zinc/93/76/89/429937689.db2.gz SJJZDCVILCPNDS-AQDCRGGLSA-N 2 0 313.489 2.800 20 0 DFADRP CO[C@@H](C[N@@H+]1CCCN(c2cc[nH+]cc2)CC1)C1CCCC1 ZINC000639683687 429947267 /nfs/dbraw/zinc/94/72/67/429947267.db2.gz LQHMMABBBHUESS-SFHVURJKSA-N 2 0 303.450 2.799 20 0 DFADRP CC[NH+]1CCN(c2ccc(C[NH2+]C3CCC(C)CC3)cn2)CC1 ZINC000557725482 429952252 /nfs/dbraw/zinc/95/22/52/429952252.db2.gz NQGNOXGLVIBQDJ-UHFFFAOYSA-N 2 0 316.493 2.892 20 0 DFADRP COCC[N@H+](C)CC[C@H](N[C@H]1CCC[C@@H]([NH3+])C1)c1ccccc1 ZINC000574415139 430039942 /nfs/dbraw/zinc/03/99/42/430039942.db2.gz SYQLFIOYRAXBRH-QYZOEREBSA-N 2 0 319.493 2.556 20 0 DFADRP CCC1([NH+]2CCCC2)CCN(CCn2cc(Cl)cn2)CC1 ZINC000639986731 430046012 /nfs/dbraw/zinc/04/60/12/430046012.db2.gz QHRLRSRCFIQDAT-UHFFFAOYSA-N 2 0 310.873 2.877 20 0 DFADRP CCCCOC[C@H](O)CN1CCC(CC)([NH+]2CCCC2)CC1 ZINC000639987086 430046125 /nfs/dbraw/zinc/04/61/25/430046125.db2.gz WEYNMGKHZFKZDD-QGZVFWFLSA-N 2 0 312.498 2.504 20 0 DFADRP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1ccc2c(c1)CCC(=O)N2 ZINC000573915588 429994973 /nfs/dbraw/zinc/99/49/73/429994973.db2.gz AXAHXPBYXGYQEE-RJCAOGMDSA-N 2 0 313.445 2.847 20 0 DFADRP c1nnc([C@@H]([NH2+]CC2CC[NH+](C3CC3)CC2)C2CCCCC2)[nH]1 ZINC000559111668 429998775 /nfs/dbraw/zinc/99/87/75/429998775.db2.gz HHAZNYMFPJQSSZ-KRWDZBQOSA-N 2 0 317.481 2.890 20 0 DFADRP C[C@@H]([NH2+]Cc1ccccc1C[N@@H+]1CC[C@H](O)C1)C1CC(F)(F)C1 ZINC000529540060 430023365 /nfs/dbraw/zinc/02/33/65/430023365.db2.gz DSXVASAKTWVHIO-DYVFJYSZSA-N 2 0 324.415 2.777 20 0 DFADRP CC1(C)C[NH2+]CC[C@H]([NH2+]CCCc2ccc3c(c2)CCO3)C1 ZINC000634733667 430092642 /nfs/dbraw/zinc/09/26/42/430092642.db2.gz KVHAMRIHXANNJZ-KRWDZBQOSA-N 2 0 302.462 2.922 20 0 DFADRP C[C@@H](CC(=O)Nc1ccc(F)cc1)[NH2+][C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000634734007 430092937 /nfs/dbraw/zinc/09/29/37/430092937.db2.gz UNZNLJFJRLSQHZ-XJKSGUPXSA-N 2 0 321.440 2.911 20 0 DFADRP COc1cc(C[NH2+][C@H]2CC[NH2+]CC(C)(C)C2)cc(OC)c1OC ZINC000634732473 430094289 /nfs/dbraw/zinc/09/42/89/430094289.db2.gz HJWIYWCQZJFIMW-AWEZNQCLSA-N 2 0 322.449 2.580 20 0 DFADRP C[C@@H](C[N@@H+](CC[C@@H]1CCC[NH+]1C)[C@@H](C)CO)c1ccccc1 ZINC000561916423 430103333 /nfs/dbraw/zinc/10/33/33/430103333.db2.gz AKHRWUIXMYXYRM-LNLFQRSKSA-N 2 0 304.478 2.957 20 0 DFADRP C([NH2+][C@@H]1CCOC[C@@H]1[C@@H]1CCC[NH2+]1)C(C1CCC1)C1CCC1 ZINC000530211002 430104306 /nfs/dbraw/zinc/10/43/06/430104306.db2.gz KXEWTVXJDMXKPX-CEXWTWQISA-N 2 0 306.494 2.950 20 0 DFADRP CO[C@H](C[N@@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1)c1ccc(F)cc1 ZINC000530221070 430106278 /nfs/dbraw/zinc/10/62/78/430106278.db2.gz CEKRZFYPQNGJBE-CGTJXYLNSA-N 2 0 306.425 2.977 20 0 DFADRP c1ccc(CCC[NH+]2CCC(CO[C@H]3CC[NH2+]C3)CC2)cc1 ZINC000530239783 430106815 /nfs/dbraw/zinc/10/68/15/430106815.db2.gz UWKZVXZCBISBFU-IBGZPJMESA-N 2 0 302.462 2.710 20 0 DFADRP Cc1nn(C)c2sc([C@@H](C)[NH2+]C[C@H]3CCCN(C)C3)cc12 ZINC000562042113 430107390 /nfs/dbraw/zinc/10/73/90/430107390.db2.gz UKRYOXXERPAUAH-CHWSQXEVSA-N 2 0 306.479 2.936 20 0 DFADRP FC(F)(F)CCCC[NH+]1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000530240525 430107505 /nfs/dbraw/zinc/10/75/05/430107505.db2.gz MSJJFLWEDCBVFY-AWEZNQCLSA-N 2 0 308.388 2.810 20 0 DFADRP CCCCN(C)C[C@@H](C)[NH2+][C@@H]1C[C@@H](OCC)C12CCOCC2 ZINC000562090824 430108100 /nfs/dbraw/zinc/10/81/00/430108100.db2.gz VYHNHTRAXMCMSV-BRWVUGGUSA-N 2 0 312.498 2.671 20 0 DFADRP CCC[C@@]1([NH2+]Cc2cn(-c3cc[nH+]cc3)nc2C)CCOC1 ZINC000560502185 430049977 /nfs/dbraw/zinc/04/99/77/430049977.db2.gz ZVXAUFXLTLIYLK-QGZVFWFLSA-N 2 0 300.406 2.625 20 0 DFADRP C[C@@H]([NH2+][C@H]1CC[C@H](O)CC1)c1ccc(OCC[NH+](C)C)cc1 ZINC000560908031 430070488 /nfs/dbraw/zinc/07/04/88/430070488.db2.gz HCSHMDQYWWBFFJ-DJIMGWMZSA-N 2 0 306.450 2.581 20 0 DFADRP C[NH+](C)CCOc1ccc(CC[NH2+][C@@H]2CCOC(C)(C)C2)cc1 ZINC000634680147 430075818 /nfs/dbraw/zinc/07/58/18/430075818.db2.gz LWFQAUSMENTEBJ-QGZVFWFLSA-N 2 0 320.477 2.717 20 0 DFADRP C[C@H]([NH3+])c1ccc(NC(=O)C[N@H+](C)CCc2ccccc2)cc1 ZINC000637856485 430150551 /nfs/dbraw/zinc/15/05/51/430150551.db2.gz CEZVFDAMBZUDEK-HNNXBMFYSA-N 2 0 311.429 2.819 20 0 DFADRP COc1nc2ccccc2cc1CN1CCC[C@]2(CC[NH2+]C2)C1 ZINC000580833732 430157098 /nfs/dbraw/zinc/15/70/98/430157098.db2.gz BKWYRGNVUNXJNE-LJQANCHMSA-N 2 0 311.429 2.819 20 0 DFADRP c1ccc(C[N@H+]2CC[C@@H](NCC[NH+]3CCCC3)CC23CC3)cc1 ZINC000580951788 430164214 /nfs/dbraw/zinc/16/42/14/430164214.db2.gz NIULMDWVLOENDA-LJQANCHMSA-N 2 0 313.489 2.869 20 0 DFADRP CCCC[N@H+](C)CC1CC[NH+]([C@H](C)C(C)(C)n2cncn2)CC1 ZINC000637906192 430168761 /nfs/dbraw/zinc/16/87/61/430168761.db2.gz RJMCXDJRSBBEET-MRXNPFEDSA-N 2 0 321.513 2.846 20 0 DFADRP COc1ccc(C[NH+]2CCC(C[NH2+]Cc3ccon3)CC2)cc1 ZINC000634957488 430175652 /nfs/dbraw/zinc/17/56/52/430175652.db2.gz OJGHNLZFEZNMMP-UHFFFAOYSA-N 2 0 315.417 2.685 20 0 DFADRP COc1ccc(CCC[NH2+][C@H](C)[C@@H]2CCC[NH2+]C2)cc1OC ZINC000562747978 430176482 /nfs/dbraw/zinc/17/64/82/430176482.db2.gz DQSVQSRGVRJBIC-GDBMZVCRSA-N 2 0 306.450 2.614 20 0 DFADRP C[NH2+]Cc1cccc(NC(=O)[C@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000637808829 430134608 /nfs/dbraw/zinc/13/46/08/430134608.db2.gz GNRHSXHGNNWFIY-SFHVURJKSA-N 2 0 323.440 2.867 20 0 DFADRP C[C@H]([NH2+]CC[C@@H]1CCC[N@H+](C)C1)c1ccc2c(c1)CCC(=O)N2 ZINC000580702062 430146278 /nfs/dbraw/zinc/14/62/78/430146278.db2.gz VVNRIMOUAKWSEL-GJZGRUSLSA-N 2 0 315.461 2.954 20 0 DFADRP CC(=O)NC1CCC([NH2+][C@@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)CC1 ZINC000161857336 277024754 /nfs/dbraw/zinc/02/47/54/277024754.db2.gz HNXSGCRFZLOQMR-WSDZMALLSA-N 2 0 321.509 2.676 20 0 DFADRP CCCN(Cc1cccc(-c2ccc(N)cc2)n1)[C@@H]1CC[NH2+]C1 ZINC000634991165 430186027 /nfs/dbraw/zinc/18/60/27/430186027.db2.gz SBMQUFHOZJVVRH-GOSISDBHSA-N 2 0 310.445 2.905 20 0 DFADRP c1ccc2c(c1)cccc2C[NH+]1CCN(CC23CC(C2)C[NH2+]3)CC1 ZINC000634991959 430186182 /nfs/dbraw/zinc/18/61/82/430186182.db2.gz XSIKZFVPTHGIMP-UHFFFAOYSA-N 2 0 321.468 2.709 20 0 DFADRP C[N@@H+]1CCC[C@H]1CC[NH+]1CCC2(CC1)OCc1ccccc12 ZINC000360420288 277077876 /nfs/dbraw/zinc/07/78/76/277077876.db2.gz WBQIAJDGQQXJAJ-KRWDZBQOSA-N 2 0 300.446 2.992 20 0 DFADRP [NH3+][C@@H]1CCC[C@@H]1[NH2+][C@@H]1[C@H]2Cc3c(cccc3Br)[C@@H]12 ZINC000635004078 430194282 /nfs/dbraw/zinc/19/42/82/430194282.db2.gz MZIKFKRQDDHZRZ-XFZHLKPQSA-N 2 0 307.235 2.557 20 0 DFADRP C[C@@H]1C[N@H+](Cc2cccc(-c3ccc(N)cc3)n2)C[C@@]1(C)C[NH3+] ZINC000634995926 430187998 /nfs/dbraw/zinc/18/79/98/430187998.db2.gz UAWTYYSHTWIYNX-AUUYWEPGSA-N 2 0 310.445 2.748 20 0 DFADRP Cc1nn(-c2ccc(F)cc2)c(C)c1C[N@H+]1C[C@H](C)[C@H](C[NH3+])C1 ZINC000634998311 430188667 /nfs/dbraw/zinc/18/86/67/430188667.db2.gz DBLPUJCUPODLMY-SWLSCSKDSA-N 2 0 316.424 2.655 20 0 DFADRP C[C@H]1C[N@H+](Cc2c[nH]nc2-c2cccc(Cl)c2)C[C@@H]1C[NH3+] ZINC000634998447 430188805 /nfs/dbraw/zinc/18/88/05/430188805.db2.gz FTIYNAFLXIAPIT-AAEUAGOBSA-N 2 0 304.825 2.757 20 0 DFADRP O[C@H]1CCC[C@H]1[NH+]1CCC([NH2+]Cc2ccc3[nH]ccc3c2)CC1 ZINC000581201517 430188841 /nfs/dbraw/zinc/18/88/41/430188841.db2.gz WNHIGSNIGTUCKT-MOPGFXCFSA-N 2 0 313.445 2.635 20 0 DFADRP C[NH+]1CCN(CCC[NH2+]Cc2c(Cl)cccc2Cl)CC1 ZINC000021813086 277105323 /nfs/dbraw/zinc/10/53/23/277105323.db2.gz SWOKNXVEJSTWLJ-UHFFFAOYSA-N 2 0 316.276 2.721 20 0 DFADRP C[NH+]1CCN(C[C@@H]2CCC[N@H+](CC3CCCCCC3)C2)CC1 ZINC000363996837 277107355 /nfs/dbraw/zinc/10/73/55/277107355.db2.gz GCRGZZMPRQMVRK-IBGZPJMESA-N 2 0 307.526 2.916 20 0 DFADRP C[C@H]1C[N@H+](Cc2c[nH]nc2-c2cccc(Cl)c2)C[C@H]1C[NH3+] ZINC000634998449 430189445 /nfs/dbraw/zinc/18/94/45/430189445.db2.gz FTIYNAFLXIAPIT-WCQYABFASA-N 2 0 304.825 2.757 20 0 DFADRP C[NH+]1CCN(c2cc(C[NH2+][C@@H]3CCC(C)(C)C3)ccn2)CC1 ZINC000296234174 277112463 /nfs/dbraw/zinc/11/24/63/277112463.db2.gz CIEIFFIWPUSJSC-MRXNPFEDSA-N 2 0 302.466 2.502 20 0 DFADRP C[C@@H]1C[C@H](C[NH2+][C@H](CCO)c2ccc(Cl)c(F)c2)CC[NH2+]1 ZINC000634997985 430189798 /nfs/dbraw/zinc/18/97/98/430189798.db2.gz XVKFFJQKQSZUMG-XHBSWPGZSA-N 2 0 314.832 2.880 20 0 DFADRP C[NH+]1CCN(c2ncccc2C[NH2+]CCC2CCCCC2)CC1 ZINC000361544112 277115206 /nfs/dbraw/zinc/11/52/06/277115206.db2.gz RZBGJIWSGORZPO-UHFFFAOYSA-N 2 0 316.493 2.893 20 0 DFADRP CCOc1cc(C[N@@H+]2C[C@H](C)[C@@H](C[NH3+])C2)ccc1OC(F)F ZINC000635000533 430190753 /nfs/dbraw/zinc/19/07/53/430190753.db2.gz QBWPDVJZFUYAKP-AAEUAGOBSA-N 2 0 314.376 2.713 20 0 DFADRP CCC(C)(C)NC(=O)[C@@H](C)[N@H+](C)CCCC[NH+]1CCCCC1 ZINC000640530940 430191811 /nfs/dbraw/zinc/19/18/11/430191811.db2.gz IZVGXSVMCHMTFX-MRXNPFEDSA-N 2 0 311.514 2.878 20 0 DFADRP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+]Cc1cccc2c1CC[NH2+]C2 ZINC000635006088 430193031 /nfs/dbraw/zinc/19/30/31/430193031.db2.gz XLSAUZYLLUMSCT-CRAIPNDOSA-N 3 0 301.478 2.733 20 0 DFADRP CCO[C@@H]1C[C@@H]([NH2+]Cc2cccc3c2CC[NH2+]C3)C12CCC2 ZINC000635007278 430193793 /nfs/dbraw/zinc/19/37/93/430193793.db2.gz CRVHIGQMRJCEAQ-QZTJIDSGSA-N 2 0 300.446 2.770 20 0 DFADRP COc1ccc([C@@H](N[C@H]2CC[C@H](C[NH3+])CC2)[C@@H]2CCC[NH2+]2)cc1 ZINC000635004424 430193961 /nfs/dbraw/zinc/19/39/61/430193961.db2.gz IPUIHNJGAAPNDW-OYSPMZIOSA-N 2 0 317.477 2.595 20 0 DFADRP C[N@@H+]1CC[C@H]([NH2+]C2CCN(c3nccs3)CC2)[C@@H]2CCC[C@H]21 ZINC000353587544 277169805 /nfs/dbraw/zinc/16/98/05/277169805.db2.gz ZXAZXTNHGSQZQL-HRCADAONSA-N 2 0 320.506 2.574 20 0 DFADRP C[N@@H+]1CC[C@H]([NH2+]Cc2ccc(-n3cccn3)cc2)[C@@H]2CCC[C@H]21 ZINC000367638984 277172351 /nfs/dbraw/zinc/17/23/51/277172351.db2.gz SLIVCHSJKIQJJL-GBESFXJTSA-N 2 0 310.445 2.835 20 0 DFADRP CC(C)[NH+]1CCN([C@H]2CC[N@H+](CCCc3ccsc3)C2)CC1 ZINC000542101960 430202507 /nfs/dbraw/zinc/20/25/07/430202507.db2.gz BOXYSOFIGUPLDR-SFHVURJKSA-N 2 0 321.534 2.781 20 0 DFADRP c1cc(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)c2c(c1)COCC2 ZINC000635011696 430195112 /nfs/dbraw/zinc/19/51/12/430195112.db2.gz GKQJXLMVJMWPQT-GBESFXJTSA-N 2 0 300.446 2.770 20 0 DFADRP CC[C@@H](Nc1cc(N2CC[NH2+]CC2)cc[nH+]1)c1ccc(F)cn1 ZINC000635010339 430195569 /nfs/dbraw/zinc/19/55/69/430195569.db2.gz SHFNUGUTTRNEGD-OAHLLOKOSA-N 2 0 315.396 2.589 20 0 DFADRP COc1ccc2c(c1)[C@H](Nc1cc(N3CC[NH2+]CC3)cc[nH+]1)CC2 ZINC000635009446 430195894 /nfs/dbraw/zinc/19/58/94/430195894.db2.gz NGCQKZHXYYQIJN-GOSISDBHSA-N 2 0 324.428 2.599 20 0 DFADRP CO[C@@H]1[C@@H](C)[C@H]([NH2+]Cc2cccc3c2CC[NH2+]C3)C12CCC2 ZINC000635008639 430196195 /nfs/dbraw/zinc/19/61/95/430196195.db2.gz FYCOSDUIWPVWQI-DOPJRALCSA-N 2 0 300.446 2.626 20 0 DFADRP CCC[C@H](Nc1cc(N2CC[NH2+]CC2)cc[nH+]1)c1cccnc1 ZINC000635008341 430196421 /nfs/dbraw/zinc/19/64/21/430196421.db2.gz JCUSBESLOVBARM-KRWDZBQOSA-N 2 0 311.433 2.840 20 0 DFADRP Oc1ccc2c(c1)[C@@H](Nc1cc(N3CC[NH2+]CC3)cc[nH+]1)CCC2 ZINC000635011295 430196694 /nfs/dbraw/zinc/19/66/94/430196694.db2.gz YWMCLKAEYXZMAY-SFHVURJKSA-N 2 0 324.428 2.686 20 0 DFADRP OC[C@H](C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1)c1ccc(Cl)cc1 ZINC000635013104 430197818 /nfs/dbraw/zinc/19/78/18/430197818.db2.gz BYNROGBEUITKHM-XOYOTBSWSA-N 2 0 322.880 2.926 20 0 DFADRP Cc1ccc(CN2CC[C@H]([NH2+][C@H]3CCCCC[C@H]3[NH3+])C2)cc1 ZINC000635013013 430198609 /nfs/dbraw/zinc/19/86/09/430198609.db2.gz PVLLVDRAGONFQS-OTWHNJEPSA-N 2 0 301.478 2.819 20 0 DFADRP COc1ccc([C@H](C)[NH2+]CCOCC[NH+](C)C)cc1Cl ZINC000581422885 430205290 /nfs/dbraw/zinc/20/52/90/430205290.db2.gz ABPYRSHNRQSSNV-LBPRGKRZSA-N 2 0 300.830 2.577 20 0 DFADRP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+][C@@H](C)Cc1ccncc1 ZINC000542245480 430206463 /nfs/dbraw/zinc/20/64/63/430206463.db2.gz IRJVJGLGGVAGDI-AWEZNQCLSA-N 2 0 307.401 2.692 20 0 DFADRP C[NH2+][C@@H](C)Cc1noc(-c2oc3ccccc3c2C[NH+](C)C)n1 ZINC000261738985 277294218 /nfs/dbraw/zinc/29/42/18/277294218.db2.gz KVUXKTIJPGIRPT-NSHDSACASA-N 2 0 314.389 2.695 20 0 DFADRP Cc1scc(C[N@@H+](C)CC2CC[NH+](C[C@H](C)O)CC2)c1C ZINC000638047169 430220150 /nfs/dbraw/zinc/22/01/50/430220150.db2.gz ZAKPNOAUQVLOMJ-ZDUSSCGKSA-N 2 0 310.507 2.890 20 0 DFADRP CC[NH2+][C@@H](C)C(=O)NCc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000638063341 430222965 /nfs/dbraw/zinc/22/29/65/430222965.db2.gz LUAPXMHNSYVCSX-CVEARBPZSA-N 2 0 317.477 2.533 20 0 DFADRP CC[NH+](CC)Cc1cccc(CNC(=O)[C@H]([NH3+])CCC(C)C)c1 ZINC000638064640 430223907 /nfs/dbraw/zinc/22/39/07/430223907.db2.gz MOTVIXNIGKOIFV-GOSISDBHSA-N 2 0 319.493 2.908 20 0 DFADRP CC[NH+](CC)[C@@H](CNC(=O)C1(C[NH+](C)C)CC1)c1ccccc1 ZINC000635187993 430224115 /nfs/dbraw/zinc/22/41/15/430224115.db2.gz GCVXDFGWJAWUSE-KRWDZBQOSA-N 2 0 317.477 2.528 20 0 DFADRP C[C@H]1CCC[N@H+](Cc2ccc(NC(=O)CCC3C[NH2+]C3)cc2)C1 ZINC000638063981 430224190 /nfs/dbraw/zinc/22/41/90/430224190.db2.gz QOIOMCPIURSOOS-HNNXBMFYSA-N 2 0 315.461 2.857 20 0 DFADRP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+](C)C[C@H]1CCCC[C@H]1O ZINC000542484973 430212529 /nfs/dbraw/zinc/21/25/29/430212529.db2.gz CNOWGCBILMJPCX-CRAIPNDOSA-N 2 0 314.433 2.559 20 0 DFADRP COC[C@H](CCC[NH3+])[NH2+]Cc1ccc(OC2CCCCC2)nc1 ZINC000581542623 430217965 /nfs/dbraw/zinc/21/79/65/430217965.db2.gz UZCPUXPCMGLJEE-INIZCTEOSA-N 2 0 321.465 2.637 20 0 DFADRP Cc1c(F)cccc1NC(=O)CC[NH2+]CC[C@@H]1CCC[N@@H+](C)C1 ZINC000566119042 430241523 /nfs/dbraw/zinc/24/15/23/430241523.db2.gz OXNKOMQPMCXXJD-HNNXBMFYSA-N 2 0 321.440 2.784 20 0 DFADRP C[NH+](C)CC1(C(=O)Nc2cccc(C[NH+]3CCCCC3)c2)CC1 ZINC000635268202 430243192 /nfs/dbraw/zinc/24/31/92/430243192.db2.gz YOEMHFBGVPBNGR-UHFFFAOYSA-N 2 0 315.461 2.953 20 0 DFADRP CC[C@H](C)[C@H](C[NH+]1CCC(OCC[NH+]2CCCC2)CC1)OC ZINC000638126270 430243294 /nfs/dbraw/zinc/24/32/94/430243294.db2.gz SOJXFABIMRMZCW-WMZOPIPTSA-N 2 0 312.498 2.624 20 0 DFADRP C[C@@H]1CCCC[N@@H+]1CCCNC(=O)[C@@H]1CCCCCC[C@@H]1[NH3+] ZINC000581999747 430257607 /nfs/dbraw/zinc/25/76/07/430257607.db2.gz FVPPPYCRAPPVMX-ZACQAIPSSA-N 2 0 309.498 2.665 20 0 DFADRP CC(C)[NH+]1CCN([C@H]2CC[N@@H+]([C@@H](C)Cc3ccsc3)C2)CC1 ZINC000544023982 430270851 /nfs/dbraw/zinc/27/08/51/430270851.db2.gz QBVLYEGWSGDOIN-WMZOPIPTSA-N 2 0 321.534 2.779 20 0 DFADRP CC(C)CC[C@@H]([NH3+])C(=O)N1CC[NH2+]C[C@H]1c1cccc(Cl)c1 ZINC000638217248 430275308 /nfs/dbraw/zinc/27/53/08/430275308.db2.gz JKGRQFDEJUAKBN-CVEARBPZSA-N 2 0 323.868 2.576 20 0 DFADRP CC(C)CC[C@@H]([NH3+])C(=O)N1CC[NH2+]C[C@@H]1c1cccc(Cl)c1 ZINC000638217250 430275391 /nfs/dbraw/zinc/27/53/91/430275391.db2.gz JKGRQFDEJUAKBN-HZPDHXFCSA-N 2 0 323.868 2.576 20 0 DFADRP C[NH+](C)[C@@H](CNC(=O)[C@@H]1CCCCC[NH2+]1)c1ccc(Cl)cc1 ZINC000582184148 430276620 /nfs/dbraw/zinc/27/66/20/430276620.db2.gz OABDUTZTPCLBAT-HOTGVXAUSA-N 2 0 323.868 2.591 20 0 DFADRP CCCC[N@H+](C)CC1CCN(C(=O)c2oc(C[NH3+])cc2C)CC1 ZINC000638068920 430225968 /nfs/dbraw/zinc/22/59/68/430225968.db2.gz YYLKKTSBQHJFRB-UHFFFAOYSA-N 2 0 321.465 2.631 20 0 DFADRP Cc1cc(C[NH3+])oc1C(=O)NCCCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000638067671 430226015 /nfs/dbraw/zinc/22/60/15/430226015.db2.gz SRDUGYSHUQDTKN-ZIAGYGMSSA-N 2 0 321.465 2.535 20 0 DFADRP CC[C@@H]1CCC[C@@H]1[NH2+]Cc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC000542852050 430230590 /nfs/dbraw/zinc/23/05/90/430230590.db2.gz OSWWUPLURXVNBR-MNEFBYGVSA-N 2 0 302.462 2.922 20 0 DFADRP [NH3+]C[C@H]1CCC[C@@H]1[NH2+]CCc1nc(-c2cccc(Cl)c2)no1 ZINC000566091206 430241416 /nfs/dbraw/zinc/24/14/16/430241416.db2.gz ARWCYZLVKKZCPN-OCCSQVGLSA-N 2 0 320.824 2.650 20 0 DFADRP C[C@@H]1C[C@@H]([NH3+])CCN1Cc1cnn(-c2ccc(Cl)cc2)c1 ZINC000582308867 430288257 /nfs/dbraw/zinc/28/82/57/430288257.db2.gz AQCXHUUDBPZQPO-DOMZBBRYSA-N 2 0 304.825 2.837 20 0 DFADRP C[C@H]([NH2+]C(C)(C)CNC(=O)C[C@@H]1CC[N@H+](C)C1)c1ccccc1 ZINC000635493976 430292130 /nfs/dbraw/zinc/29/21/30/430292130.db2.gz GAAFZKDAEOQPIM-HOTGVXAUSA-N 2 0 317.477 2.574 20 0 DFADRP Cc1cc(C[NH3+])oc1C(=O)Nc1cc(C)cc(C[NH+](C)C)c1 ZINC000638289534 430295763 /nfs/dbraw/zinc/29/57/63/430295763.db2.gz RMWKSVLODUOKKA-UHFFFAOYSA-N 2 0 301.390 2.669 20 0 DFADRP C[N@H+](CCC[NH2+]Cc1c[nH]c2ncncc12)C1CCCCC1 ZINC000638299199 430296827 /nfs/dbraw/zinc/29/68/27/430296827.db2.gz ASIPEMVTMZUDER-UHFFFAOYSA-N 2 0 301.438 2.654 20 0 DFADRP CC[NH2+][C@H](C)C(=O)Nc1cccc(CC[NH+]2CCC(C)CC2)c1 ZINC000638301097 430297908 /nfs/dbraw/zinc/29/79/08/430297908.db2.gz BODKXTCHACUQOH-MRXNPFEDSA-N 2 0 317.477 2.898 20 0 DFADRP C[N@H+](CC(=O)Nc1nc(C2CC[NH2+]CC2)cs1)CC(C)(C)C ZINC000638334163 430308925 /nfs/dbraw/zinc/30/89/25/430308925.db2.gz WIBOIXQHRUCELK-UHFFFAOYSA-N 2 0 324.494 2.527 20 0 DFADRP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+]C[C@@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000545252810 430309758 /nfs/dbraw/zinc/30/97/58/430309758.db2.gz SLMPNGDNDAOEBL-MIFYACCESA-N 2 0 314.433 2.869 20 0 DFADRP CC(C)(O)C[NH+]1CCC([NH2+][C@@H]2CCC[C@@H](C(F)(F)F)C2)CC1 ZINC000638346956 430311038 /nfs/dbraw/zinc/31/10/38/430311038.db2.gz IPLQGAPESSMQOV-TZMCWYRMSA-N 2 0 322.415 2.932 20 0 DFADRP C[C@H]1CCC[N@H+](CCCC[NH2+]Cc2c[nH]c3ncncc23)C1 ZINC000638366557 430318213 /nfs/dbraw/zinc/31/82/13/430318213.db2.gz OIACAFJSSPKCHE-AWEZNQCLSA-N 2 0 301.438 2.511 20 0 DFADRP CO[C@@H](C[NH2+]CCCC[N@@H+]1CCCC[C@H]1C)C1CCOCC1 ZINC000638365568 430318228 /nfs/dbraw/zinc/31/82/28/430318228.db2.gz GBBDADOZVYTKBS-AEFFLSMTSA-N 2 0 312.498 2.672 20 0 DFADRP C[C@H](C[C@@H]1CCCC(=O)N1)[NH2+]CCCC[NH+]1CCC(C)CC1 ZINC000638372522 430320620 /nfs/dbraw/zinc/32/06/20/430320620.db2.gz XFDBGQHTSNLOIO-SJORKVTESA-N 2 0 309.498 2.535 20 0 DFADRP C[NH+]1CCN(c2ccc(NCc3nc4ccccc4o3)nc2)CC1 ZINC000638397720 430329451 /nfs/dbraw/zinc/32/94/51/430329451.db2.gz GWIJQUWVMCMUAS-UHFFFAOYSA-N 2 0 323.400 2.587 20 0 DFADRP C[C@@H]([NH2+][C@@H]1CCC[C@H]([NH3+])C1)c1ccc(-n2cccn2)c(F)c1 ZINC000568248107 430337755 /nfs/dbraw/zinc/33/77/55/430337755.db2.gz HQYTTWMWEUWPNH-VHDGCEQUSA-N 2 0 302.397 2.932 20 0 DFADRP CO[C@@H](C[NH2+]C1CC[NH+](C2CCCCC2)CC1)C1CCOCC1 ZINC000638721789 430416236 /nfs/dbraw/zinc/41/62/36/430416236.db2.gz RXRSKKBTTXIGQC-IBGZPJMESA-N 2 0 324.509 2.815 20 0 DFADRP C[N@H+](CCC(=O)N[C@H]1CC[NH+](C2CCCC2)C1)C1CCCCC1 ZINC000547732941 430416864 /nfs/dbraw/zinc/41/68/64/430416864.db2.gz UMOMEEPMBSYTBI-INIZCTEOSA-N 2 0 321.509 2.774 20 0 DFADRP CC[C@H]([NH3+])c1cn(Cc2cccc(C[NH+]3CCCCC3)c2)nn1 ZINC000641179205 430354652 /nfs/dbraw/zinc/35/46/52/430354652.db2.gz GCIXDMXOGRYRDO-KRWDZBQOSA-N 2 0 313.449 2.722 20 0 DFADRP C[NH+](C)CCCCC(=O)N(CC[NH+](C)C)CC1CCCCC1 ZINC000582990628 430354876 /nfs/dbraw/zinc/35/48/76/430354876.db2.gz VSFRIVWEWXMSDA-UHFFFAOYSA-N 2 0 311.514 2.689 20 0 DFADRP C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC000547731739 430416944 /nfs/dbraw/zinc/41/69/44/430416944.db2.gz DIJLAQABUSCHSW-NVXWUHKLSA-N 2 0 309.498 2.630 20 0 DFADRP [NH3+]C[C@@H]1CCCC[C@@H]1NC[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC000583078913 430361032 /nfs/dbraw/zinc/36/10/32/430361032.db2.gz ZNPRJJMZTRDBLI-DKKFBQAASA-N 2 0 319.468 2.626 20 0 DFADRP Cc1cccc(NC[C@H]2CC[N@H+](Cc3cnc(C4CC4)nc3)C2)[nH+]1 ZINC000568483023 430361470 /nfs/dbraw/zinc/36/14/70/430361470.db2.gz XVINHBGDBFRLFI-OAHLLOKOSA-N 2 0 323.444 2.991 20 0 DFADRP C[C@H](C(=O)Nc1cccc2c1CC[NH2+]C2)[NH+]1CCCCCC1 ZINC000568508831 430364804 /nfs/dbraw/zinc/36/48/04/430364804.db2.gz SXQWUZGYGHNYCC-CQSZACIVSA-N 2 0 301.434 2.535 20 0 DFADRP C[C@H](CNC(=O)CC[N@H+](C)C1CCCCC1)C[NH+]1CCCCC1 ZINC000546723039 430365951 /nfs/dbraw/zinc/36/59/51/430365951.db2.gz NVXDOLQDQFIRAL-QGZVFWFLSA-N 2 0 323.525 2.879 20 0 DFADRP CO[C@H](C[NH2+]C[C@H]1CC[N@H+](CCc2ccccc2)C1)C1CC1 ZINC000638521654 430366379 /nfs/dbraw/zinc/36/63/79/430366379.db2.gz NPEYHMQIANXLJW-IEBWSBKVSA-N 2 0 302.462 2.566 20 0 DFADRP c1nc(C[NH2+]CCCCC[NH+]2CCCCC2)cc2c1OCCO2 ZINC000638527916 430368154 /nfs/dbraw/zinc/36/81/54/430368154.db2.gz MCHJAUKUSSITIT-UHFFFAOYSA-N 2 0 319.449 2.599 20 0 DFADRP CC(C)(O)C[NH+]1CCC([NH2+][C@H]2CCc3ccc(F)cc32)CC1 ZINC000638543959 430372502 /nfs/dbraw/zinc/37/25/02/430372502.db2.gz QGVJJGOTBMWYMG-KRWDZBQOSA-N 2 0 306.425 2.638 20 0 DFADRP CC[NH+](CC)CCO[C@H]1CC[N@H+](Cc2c(C)nsc2C)C1 ZINC000583212083 430373516 /nfs/dbraw/zinc/37/35/16/430373516.db2.gz ITZWMFHRTJRBCY-HNNXBMFYSA-N 2 0 311.495 2.693 20 0 DFADRP CSc1ccc([C@H](C[NH2+][C@@H](C)[C@H]2CCC[NH2+]C2)N(C)C)cc1 ZINC000583257281 430377112 /nfs/dbraw/zinc/37/71/12/430377112.db2.gz XBOCADYFXPHYIV-ZVZYQTTQSA-N 2 0 321.534 2.989 20 0 DFADRP C[C@@H](NC(=O)C[N@H+](C)CC(C)(C)C)[C@@H]1CCC[NH+](C2CCC2)C1 ZINC000635787423 430377558 /nfs/dbraw/zinc/37/75/58/430377558.db2.gz MVQNVGYSKDVEBD-HZPDHXFCSA-N 2 0 323.525 2.734 20 0 DFADRP CC[NH+](CC)CCCC1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000635790771 430377786 /nfs/dbraw/zinc/37/77/86/430377786.db2.gz YQOWTHXOLBFXAE-SFHVURJKSA-N 2 0 323.525 2.831 20 0 DFADRP COc1cc(C[NH2+]CCC2CC[NH+](C)CC2)c(Cl)cc1O ZINC000638566190 430378419 /nfs/dbraw/zinc/37/84/19/430378419.db2.gz CTLSAOHJFFNPAS-UHFFFAOYSA-N 2 0 312.841 2.876 20 0 DFADRP [NH3+][C@H]1CCC[C@H]([NH2+]C2CCN(Cc3ccc(F)c(F)c3)CC2)C1 ZINC000568646312 430380426 /nfs/dbraw/zinc/38/04/26/430380426.db2.gz DXOUFHNLGGWEPB-HOCLYGCPSA-N 2 0 323.431 2.789 20 0 DFADRP C[NH+](C)Cc1ccc(C[NH2+]C[C@@H](O)Cc2ccccc2)cc1F ZINC000568741391 430387477 /nfs/dbraw/zinc/38/74/77/430387477.db2.gz SPOKICQPJSUESD-SFHVURJKSA-N 2 0 316.420 2.581 20 0 DFADRP C[C@@H]1CCN(CC[NH2+][C@H]2C[C@H](C)CN(Cc3ccccc3)C2)C1 ZINC000547362837 430387805 /nfs/dbraw/zinc/38/78/05/430387805.db2.gz IDDCYJUNRGNJBB-HBFSDRIKSA-N 2 0 315.505 2.828 20 0 DFADRP Cc1ccccc1[C@@H]([C@@H](C)NC(=O)[C@@H]1CCCC[N@@H+]1C)[NH+](C)C ZINC000635851137 430394173 /nfs/dbraw/zinc/39/41/73/430394173.db2.gz RDTZYOUKQVMHLQ-BPQIPLTHSA-N 2 0 317.477 2.587 20 0 DFADRP CC[N@H+](C)C[C@H]1CC[NH+](CC/C=C/c2cncc(OC)c2)C1 ZINC000583497163 430401225 /nfs/dbraw/zinc/40/12/25/430401225.db2.gz YAERBCNTOXRESZ-QQOXCAACSA-N 2 0 303.450 2.767 20 0 DFADRP CCCC[NH+]1CCC([NH2+]C[C@@H](O)CCc2ccccc2)CC1 ZINC000583688773 430418310 /nfs/dbraw/zinc/41/83/10/430418310.db2.gz BLALIPSVPHAJJV-IBGZPJMESA-N 2 0 304.478 2.834 20 0 DFADRP C[C@@H](CCCC[NH3+])[NH2+][C@H](CO)c1ccc(C(F)(F)F)cc1 ZINC000569211921 430434126 /nfs/dbraw/zinc/43/41/26/430434126.db2.gz VLNNMBVXAQOBGM-SMDDNHRTSA-N 2 0 304.356 2.846 20 0 DFADRP CC[NH+]1CCC(C[NH2+]CCC(=O)Nc2cccc(F)c2C)CC1 ZINC000569230462 430435609 /nfs/dbraw/zinc/43/56/09/430435609.db2.gz YHPVNARUCIGIQQ-UHFFFAOYSA-N 2 0 321.440 2.784 20 0 DFADRP C[C@@H](Cc1ccsc1)[N@H+](C)CCN(C)C1CC[NH+](C)CC1 ZINC000583899356 430439612 /nfs/dbraw/zinc/43/96/12/430439612.db2.gz MGLCCYFEBITGFR-HNNXBMFYSA-N 2 0 309.523 2.637 20 0 DFADRP [NH3+][C@H]1CCCCCN(C(=O)c2cccc(C[NH+]3CCCC3)c2)C1 ZINC000638819290 430443706 /nfs/dbraw/zinc/44/37/06/430443706.db2.gz IRZVBTMEKVDFQZ-SFHVURJKSA-N 2 0 315.461 2.626 20 0 DFADRP CC(C)[N@@H+]1CCC[C@H](C[NH2+]C[C@@H](O)Cc2cccc(Cl)c2)C1 ZINC000584048121 430452937 /nfs/dbraw/zinc/45/29/37/430452937.db2.gz DLHTXCJNUFFTTL-AEFFLSMTSA-N 2 0 324.896 2.953 20 0 DFADRP C[C@H](NCC[N@@H+]1CC[C@@H](C)C1)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000548155709 430453747 /nfs/dbraw/zinc/45/37/47/430453747.db2.gz CIFXJNPMUVZGDX-HBFSDRIKSA-N 2 0 315.505 2.828 20 0 DFADRP CC1(C)CCC[C@H](C[N@@H+]2CC3(CC[NH2+]CC3)[C@@H]3COC[C@@H]32)C1 ZINC000569437762 430453929 /nfs/dbraw/zinc/45/39/29/430453929.db2.gz SZRAWHZOTFCDPZ-BBWFWOEESA-N 2 0 306.494 2.903 20 0 DFADRP c1cnn(C2CC([NH2+]Cc3cccc(C[NH+]4CCCC4)c3)C2)c1 ZINC000638850270 430454530 /nfs/dbraw/zinc/45/45/30/430454530.db2.gz IWHDJOPRBLRWLE-UHFFFAOYSA-N 2 0 310.445 2.972 20 0 DFADRP CO[C@@H](C[NH2+]Cc1ccccc1C[N@H+](C)C(C)C)[C@H]1CCOC1 ZINC000638853403 430456199 /nfs/dbraw/zinc/45/61/99/430456199.db2.gz FJAHMPPFQWEFON-OALUTQOASA-N 2 0 320.477 2.668 20 0 DFADRP CC[NH+]1CCN(CCC[NH2+]C[C@@]2(C)C[C@@H]2c2ccccc2)CC1 ZINC000638853044 430456828 /nfs/dbraw/zinc/45/68/28/430456828.db2.gz IUHSSFGMHQMAAJ-WOJBJXKFSA-N 2 0 315.505 2.797 20 0 DFADRP CO[C@H](C[NH2+]Cc1ccccc1C[N@H+](C)C(C)C)[C@H]1CCOC1 ZINC000638853404 430456928 /nfs/dbraw/zinc/45/69/28/430456928.db2.gz FJAHMPPFQWEFON-RBUKOAKNSA-N 2 0 320.477 2.668 20 0 DFADRP Cc1cc(N2CCC([C@H]3CCC[NH2+]3)CC2)nc(-c2ccncc2)n1 ZINC000569461909 430457107 /nfs/dbraw/zinc/45/71/07/430457107.db2.gz MMALKJQQFMXNSU-QGZVFWFLSA-N 2 0 323.444 2.815 20 0 DFADRP CCN(C)C[C@H](O)C[N@H+](C)[C@H]1CCC[C@@H]1c1ccc(C)cc1 ZINC000569469257 430457559 /nfs/dbraw/zinc/45/75/59/430457559.db2.gz RUJRFQUXAGPMAH-OTWHNJEPSA-N 2 0 304.478 2.876 20 0 DFADRP CCN(C)C[C@H](O)C[N@H+](C)[C@@H]1CCC[C@H]1c1ccc(C)cc1 ZINC000569469255 430457862 /nfs/dbraw/zinc/45/78/62/430457862.db2.gz RUJRFQUXAGPMAH-GBESFXJTSA-N 2 0 304.478 2.876 20 0 DFADRP C[C@@H]([NH2+]Cc1ccncc1N)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000641746109 430457966 /nfs/dbraw/zinc/45/79/66/430457966.db2.gz MZJSTTXKKJQSFQ-QAPCUYQASA-N 2 0 310.445 2.664 20 0 DFADRP C[NH2+]Cc1cccc(NC(=O)NC2CC[NH+](C3CCC3)CC2)c1 ZINC000584160908 430464214 /nfs/dbraw/zinc/46/42/14/430464214.db2.gz CXIPXJBQLGLHAA-UHFFFAOYSA-N 2 0 316.449 2.544 20 0 DFADRP [NH3+]Cc1ccc(CNC(=O)c2cccc(C[NH+]3CCCC3)c2)cc1 ZINC000584175104 430464925 /nfs/dbraw/zinc/46/49/25/430464925.db2.gz IPSICNPLSLHPHB-UHFFFAOYSA-N 2 0 323.440 2.671 20 0 DFADRP COc1cccc(N2CCC[C@H]([NH2+][C@H]3CCC[C@@H]([NH3+])C3)C2)c1 ZINC000584183160 430467586 /nfs/dbraw/zinc/46/75/86/430467586.db2.gz WRMJWSOMHYSXOB-PMPSAXMXSA-N 2 0 303.450 2.524 20 0 DFADRP C[N@H+](CCC(=O)N1CCC[C@H]2C[NH+](C)CC[C@H]21)C1CCCCC1 ZINC000548393080 430469692 /nfs/dbraw/zinc/46/96/92/430469692.db2.gz KNXUMFBEIWQEPX-FUHWJXTLSA-N 2 0 321.509 2.584 20 0 DFADRP CC1(C)[C@H]([NH3+])C[C@H]1[NH2+]CCc1nc(-c2ccc(Cl)cc2)no1 ZINC000641802600 430475821 /nfs/dbraw/zinc/47/58/21/430475821.db2.gz NLSFCUANYOTQLO-CHWSQXEVSA-N 2 0 320.824 2.648 20 0 DFADRP COc1ccc([C@H](NCCOCC2CCC2)[C@@H]2CCC[NH2+]2)cc1 ZINC000569684198 430476548 /nfs/dbraw/zinc/47/65/48/430476548.db2.gz FGRWYNGCDBQXHC-OALUTQOASA-N 2 0 318.461 2.895 20 0 DFADRP [NH3+][C@@H]1CCO[C@H](C2CC[NH+](C[C@@H]3CCC4(CCCC4)O3)CC2)C1 ZINC000641799667 430477146 /nfs/dbraw/zinc/47/71/46/430477146.db2.gz OPQCFCFICMBFTM-SQNIBIBYSA-N 2 0 322.493 2.697 20 0 DFADRP CC1(C)[C@@H]([NH3+])C[C@@H]1[NH2+]Cc1ccc(OCC(F)(F)F)cc1 ZINC000641803535 430477398 /nfs/dbraw/zinc/47/73/98/430477398.db2.gz SPUZCKGDCAHSBZ-STQMWFEESA-N 2 0 302.340 2.843 20 0 DFADRP COCC[NH2+]C1CC[NH+](C[C@H](C)CCc2ccccc2)CC1 ZINC000569697665 430478476 /nfs/dbraw/zinc/47/84/76/430478476.db2.gz GYTYVJVZNYDPNQ-QGZVFWFLSA-N 2 0 304.478 2.956 20 0 DFADRP C[C@@H]1CC[C@H](C[NH3+])N(CCC(=O)Nc2ccccc2F)[C@@H]1C ZINC000641809276 430480135 /nfs/dbraw/zinc/48/01/35/430480135.db2.gz QHMXCLKYZFZGAT-MGPQQGTHSA-N 2 0 307.413 2.602 20 0 DFADRP CCCC[NH+]1CCC([NH2+]C[C@H](O)CCc2ccccc2)CC1 ZINC000583688774 430418896 /nfs/dbraw/zinc/41/88/96/430418896.db2.gz BLALIPSVPHAJJV-LJQANCHMSA-N 2 0 304.478 2.834 20 0 DFADRP CC(C)[NH+]1CCC(O)(C[NH2+]Cc2cc3ccccc3n2C)CC1 ZINC000638740048 430421084 /nfs/dbraw/zinc/42/10/84/430421084.db2.gz XISNLKUFBFZZBG-UHFFFAOYSA-N 2 0 315.461 2.503 20 0 DFADRP CC(C)OC1CCC([NH2+]C2CC[NH+](CC(C)(C)O)CC2)CC1 ZINC000638776072 430431660 /nfs/dbraw/zinc/43/16/60/430431660.db2.gz PBWAEHJLJVYLBW-UHFFFAOYSA-N 2 0 312.498 2.548 20 0 DFADRP CCCc1nc(C)c(C[N@@H+]2CCCC[C@@H]2[C@H]2C[C@@H]([NH3+])CCO2)o1 ZINC000641821560 430482974 /nfs/dbraw/zinc/48/29/74/430482974.db2.gz LOXSYYXQUPEYRU-ARFHVFGLSA-N 2 0 321.465 2.796 20 0 DFADRP CC(C)(C(=O)Nc1cc(N2CC[NH2+]CC2)cc[nH+]1)C1CCCC1 ZINC000638983747 430487659 /nfs/dbraw/zinc/48/76/59/430487659.db2.gz DNQBWDWZUPTDNK-UHFFFAOYSA-N 2 0 316.449 2.646 20 0 DFADRP CC[C@@H](C(=O)Nc1cc(N2CC[NH2+]CC2)cc[nH+]1)c1ccccc1 ZINC000638987071 430488516 /nfs/dbraw/zinc/48/85/16/430488516.db2.gz KCPPHONAYIPVFM-QGZVFWFLSA-N 2 0 324.428 2.624 20 0 DFADRP Cc1ccc([C@H](CN[C@H](C)[C@@H]2CCC[NH2+]C2)[NH+]2CCCC2)o1 ZINC000569919121 430496327 /nfs/dbraw/zinc/49/63/27/430496327.db2.gz JPMXVZCQDKGYSY-ZACQAIPSSA-N 2 0 305.466 2.703 20 0 DFADRP Cc1scc(C[N@@H+]2CCC[C@H](CN3CCOCC3)C2)c1C ZINC000639142633 430540996 /nfs/dbraw/zinc/54/09/96/430540996.db2.gz ZBBRPKZTIOBDIC-MRXNPFEDSA-N 2 0 308.491 2.909 20 0 DFADRP C[C@H]([NH3+])c1ccc(C(=O)N2CC[C@@H](C[NH3+])c3ccccc32)cc1 ZINC000639066665 430509465 /nfs/dbraw/zinc/50/94/65/430509465.db2.gz XAQWWLACTRHCEJ-BBRMVZONSA-N 2 0 309.413 2.799 20 0 DFADRP CCC1([NH+]2CCCC2)CCN(C(=O)C[N@H+](C)CC(C)(C)C)CC1 ZINC000636309949 430511661 /nfs/dbraw/zinc/51/16/61/430511661.db2.gz IEBKFQLGMIZYSV-UHFFFAOYSA-N 2 0 323.525 2.831 20 0 DFADRP CCCc1ccc(C[NH2+]CCCN2CC[NH+](CC)CC2)cc1 ZINC000642342902 430512335 /nfs/dbraw/zinc/51/23/35/430512335.db2.gz KIDDWJGPEAJARQ-UHFFFAOYSA-N 2 0 303.494 2.756 20 0 DFADRP C[NH+]1CCN(C[C@H]([NH2+][C@@H]2CCC[C@H]3C[C@H]32)c2ccccc2)CC1 ZINC000549033851 430515938 /nfs/dbraw/zinc/51/59/38/430515938.db2.gz BMCVYSNGYPTYGC-NMLBUPMWSA-N 2 0 313.489 2.753 20 0 DFADRP CC(C)[N@H+](C)CC1CC[NH+](C[C@@H](O)Cc2ccc(F)cc2)CC1 ZINC000549405220 430526254 /nfs/dbraw/zinc/52/62/54/430526254.db2.gz AZVBTUSXXDWDPB-IBGZPJMESA-N 2 0 322.468 2.781 20 0 DFADRP C[C@H]1C[N@H+](CCC[NH2+]CC(C)(C)Oc2ccccc2)CCCO1 ZINC000639115370 430530693 /nfs/dbraw/zinc/53/06/93/430530693.db2.gz BWULYPFNTLDIHT-KRWDZBQOSA-N 2 0 320.477 2.935 20 0 DFADRP Cc1ccnc([C@H](C)Nc2c[nH+]ccc2N2CC[NH+](C)CC2)c1 ZINC000570301883 430531953 /nfs/dbraw/zinc/53/19/53/430531953.db2.gz OWASLUOCXYOVQO-HNNXBMFYSA-N 2 0 311.433 2.710 20 0 DFADRP CN(C[C@H](O)C[NH2+][C@@H]1CC[C@@H](c2ccc(F)cc2)C1)C1CC1 ZINC000570325403 430533564 /nfs/dbraw/zinc/53/35/64/430533564.db2.gz WTGOIALFYZLSNH-QGPMSJSTSA-N 2 0 306.425 2.507 20 0 DFADRP CSc1ccc(CC[NH2+]C2CC[NH+](CC(C)(C)O)CC2)cc1 ZINC000639133239 430537610 /nfs/dbraw/zinc/53/76/10/430537610.db2.gz KIQAWSLEJGZHSV-UHFFFAOYSA-N 2 0 322.518 2.776 20 0 DFADRP C[C@H]([NH2+]CCC[NH+]1CCCC1)C1CCN(CC(F)(F)F)CC1 ZINC000551045068 430548941 /nfs/dbraw/zinc/54/89/41/430548941.db2.gz GKSJNDKPICSMKP-AWEZNQCLSA-N 2 0 321.431 2.725 20 0 DFADRP Cc1ccc(CN(C)CC[N@H+](C)C2CCN(C)CC2)c(F)c1 ZINC000639170274 430552902 /nfs/dbraw/zinc/55/29/02/430552902.db2.gz RJAYBZMKFDMIJE-UHFFFAOYSA-N 2 0 307.457 2.592 20 0 DFADRP C[C@@H]1CC[N@H+](Cc2ccc(CN3CCOCC3)cc2)C[C@H]1F ZINC000643251814 430567336 /nfs/dbraw/zinc/56/73/36/430567336.db2.gz CGJHVFTWZVZPSZ-CRAIPNDOSA-N 2 0 306.425 2.699 20 0 DFADRP C[NH+]1CCC(N2CC[C@H]([NH2+]Cc3cccc(C4CC4)c3)C2)CC1 ZINC000643289037 430574600 /nfs/dbraw/zinc/57/46/00/430574600.db2.gz JWAHCHHYVYAXTQ-IBGZPJMESA-N 2 0 313.489 2.822 20 0 DFADRP CC[C@@H]([NH2+]C[C@@H]1CCN(c2ccc(F)c(F)c2)C1)[C@@H]1CCC[NH2+]1 ZINC000643453055 430602546 /nfs/dbraw/zinc/60/25/46/430602546.db2.gz FGUAAWQDWHUGBL-VHSSKADRSA-N 2 0 323.431 2.911 20 0 DFADRP CC(C)[C@H](C(=O)N1CC[NH+](C2CCCC2)CC1)[NH+]1CCCCC1 ZINC000354770938 277862129 /nfs/dbraw/zinc/86/21/29/277862129.db2.gz NVKKXWGCUKQATE-GOSISDBHSA-N 2 0 321.509 2.584 20 0 DFADRP COc1ccc2c(c1)[C@@H]([NH2+][C@@H]1CC[N@H+](C)[C@@H]3CCC[C@H]31)CCO2 ZINC000552065206 430584029 /nfs/dbraw/zinc/58/40/29/430584029.db2.gz JTEUCXXDNVCZRE-XOYOTBSWSA-N 2 0 316.445 2.981 20 0 DFADRP C[C@@H]([NH2+]C[C@@H]1CCN(c2ccc(F)c(F)c2)C1)[C@@H]1CCCC[NH2+]1 ZINC000643453178 430602127 /nfs/dbraw/zinc/60/21/27/430602127.db2.gz MOHWEZFMSFBOHO-GLJUWKHASA-N 2 0 323.431 2.911 20 0 DFADRP COC[C@@H](C)C[N@H+](Cc1ccsc1)[C@@H]1CC12CC[NH2+]CC2 ZINC000570966350 430592132 /nfs/dbraw/zinc/59/21/32/430592132.db2.gz UAEGIPMWHGXHDM-GOEBONIOSA-N 2 0 308.491 2.975 20 0 DFADRP COc1cccc(CC[NH2+][C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)c1OC ZINC000570953595 430592560 /nfs/dbraw/zinc/59/25/60/430592560.db2.gz RVKGAYXXINOMLT-BRWVUGGUSA-N 2 0 318.461 2.757 20 0 DFADRP Cc1cc(C)n(-c2ccc(CC[NH2+][C@H]3CCC[C@@H]([NH3+])C3)cc2)n1 ZINC000570984958 430594303 /nfs/dbraw/zinc/59/43/03/430594303.db2.gz ADDMSNYRQJAIID-MSOLQXFVSA-N 2 0 312.461 2.891 20 0 DFADRP C[NH+]1CCC(Oc2ccc(C[NH2+]CCC[C@@H]3CCO3)cc2)CC1 ZINC000639147399 430543393 /nfs/dbraw/zinc/54/33/93/430543393.db2.gz SHESUGTZCRURSJ-QGZVFWFLSA-N 2 0 318.461 2.818 20 0 DFADRP COc1ccc(COCCN2CCCC[C@H]2[C@@H]2CCC[NH2+]2)cc1 ZINC000643061671 430545780 /nfs/dbraw/zinc/54/57/80/430545780.db2.gz FEIXCSXSUHCFSY-OALUTQOASA-N 2 0 318.461 2.818 20 0 DFADRP [NH3+]C1C[C@H]2CCC[C@@H](C1)C2[NH2+]Cc1cnc([C@@H]2CCCO2)s1 ZINC000571742910 430649969 /nfs/dbraw/zinc/64/99/69/430649969.db2.gz URMOSCVJBQLYJM-VKEQERPUSA-N 2 0 321.490 2.990 20 0 DFADRP COc1ccc2[nH]cc(CC[NH2+][C@@H]3CCCCC[C@H]3[NH3+])c2c1 ZINC000643453984 430602719 /nfs/dbraw/zinc/60/27/19/430602719.db2.gz QSXDAWQFLZSNTA-SJLPKXTDSA-N 2 0 301.434 2.969 20 0 DFADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]C[C@H]1CCN(c2ccc(F)c(F)c2)C1 ZINC000643453262 430602776 /nfs/dbraw/zinc/60/27/76/430602776.db2.gz VAGZKVXZVSEBKO-GLJUWKHASA-N 2 0 323.431 2.898 20 0 DFADRP [NH3+]CC1CCC([NH2+]C[C@@H]2CCN(c3ccc(F)c(F)c3)C2)CC1 ZINC000643453242 430603226 /nfs/dbraw/zinc/60/32/26/430603226.db2.gz SDVCLJISLHEQAT-SLTAFYQDSA-N 2 0 323.431 2.898 20 0 DFADRP CO[C@H](C[NH2+]CC1CC[NH+](C2CCOCC2)CC1)C1CCCC1 ZINC000639302137 430603262 /nfs/dbraw/zinc/60/32/62/430603262.db2.gz CLQASNNVQIEUEK-LJQANCHMSA-N 2 0 324.509 2.672 20 0 DFADRP CO[C@@H](C[NH2+]CC1CC[NH+](C2CCOCC2)CC1)C1CCCC1 ZINC000639302136 430603336 /nfs/dbraw/zinc/60/33/36/430603336.db2.gz CLQASNNVQIEUEK-IBGZPJMESA-N 2 0 324.509 2.672 20 0 DFADRP CC(C)C1(C[NH2+]Cc2ccc(C[N@@H+]3CC[C@@H](O)C3)cc2)CC1 ZINC000639307842 430604093 /nfs/dbraw/zinc/60/40/93/430604093.db2.gz IYJJRRMXNAYSBE-GOSISDBHSA-N 2 0 302.462 2.779 20 0 DFADRP FC(F)(F)[C@@H]1CC([NH2+][C@H]2CC[NH2+]C2)C[C@@H](C(F)(F)F)C1 ZINC000643458701 430604227 /nfs/dbraw/zinc/60/42/27/430604227.db2.gz RRNWXOURPJGJEA-CIUDSAMLSA-N 2 0 304.278 2.847 20 0 DFADRP C[C@H]([NH3+])[C@H]1COCC[C@H]1[NH2+]CCc1c[nH]c2cc(Cl)ccc12 ZINC000643457544 430604280 /nfs/dbraw/zinc/60/42/80/430604280.db2.gz KXABGFSRFZEBLP-IUIKQTSFSA-N 2 0 321.852 2.706 20 0 DFADRP c1cc(C[NH+]2CCC(C[NH2+]CCC3CCOCC3)CC2)ccn1 ZINC000639311561 430605740 /nfs/dbraw/zinc/60/57/40/430605740.db2.gz NVTQYCOVDMOXQN-UHFFFAOYSA-N 2 0 317.477 2.700 20 0 DFADRP C[C@@H]1C[C@H]([NH2+]CC2CC[NH+](Cc3ccncc3)CC2)CS1 ZINC000639312208 430606192 /nfs/dbraw/zinc/60/61/92/430606192.db2.gz SWKCKDCINCFSAX-PBHICJAKSA-N 2 0 305.491 2.777 20 0 DFADRP C[C@@H]1[C@H](NC[C@H]2CCCC[NH2+]2)CCC[N@@H+]1Cc1ccccc1 ZINC000643502239 430610481 /nfs/dbraw/zinc/61/04/81/430610481.db2.gz AVAVLHIHALQQFA-BHIYHBOVSA-N 2 0 301.478 2.771 20 0 DFADRP Cc1cccc(NC(=O)C[C@H](C)[NH2+]CC[C@H]2CCC[NH2+]C2)c1 ZINC000643510442 430611013 /nfs/dbraw/zinc/61/10/13/430611013.db2.gz VWDKNJLRSLPXNV-JKSUJKDBSA-N 2 0 303.450 2.691 20 0 DFADRP C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1[NH2+][C@H]1CC12CC[NH2+]CC2 ZINC000643533961 430612456 /nfs/dbraw/zinc/61/24/56/430612456.db2.gz ISVLBZMIJFJDDL-NEWSRXKRSA-N 3 0 313.489 2.629 20 0 DFADRP C[C@@H]([NH2+][C@H]1CC12CC[NH2+]CC2)c1nc(C(F)(F)F)cs1 ZINC000643534867 430612473 /nfs/dbraw/zinc/61/24/73/430612473.db2.gz DYSATQDCJFEIEM-BDAKNGLRSA-N 2 0 305.369 2.955 20 0 DFADRP C[NH+](C)CCC[C@@H]1C[N@H+](CC(C)(C)Oc2ccccc2)CCO1 ZINC000639335072 430612531 /nfs/dbraw/zinc/61/25/31/430612531.db2.gz MDWFHKARKPWSQJ-GOSISDBHSA-N 2 0 320.477 2.887 20 0 DFADRP C[C@@H]1[C@H]([NH2+][C@H]2CCC[NH2+]CC2)CCCN1Cc1ccccc1 ZINC000643522583 430612935 /nfs/dbraw/zinc/61/29/35/430612935.db2.gz POKRBXIIBNWUCY-NZSAHSFTSA-N 2 0 301.478 2.771 20 0 DFADRP c1c2c(nn1-c1ccccc1)CCC[C@H]2[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000643522966 430613426 /nfs/dbraw/zinc/61/34/26/430613426.db2.gz VGMHRDHOTRUXGC-CRAIPNDOSA-N 2 0 310.445 2.981 20 0 DFADRP C[C@@H]([NH2+]Cc1ccc2c(c1)C[NH2+]C2)c1ccc(-n2cncn2)cc1 ZINC000643523446 430613659 /nfs/dbraw/zinc/61/36/59/430613659.db2.gz JFJNMKHDVDTQQW-CQSZACIVSA-N 2 0 319.412 2.721 20 0 DFADRP FCCOCC[NH2+][C@H]1CCN(C2CC2)[C@H](c2ccccc2)C1 ZINC000639337248 430613777 /nfs/dbraw/zinc/61/37/77/430613777.db2.gz LEXAEKHMVYPALE-WMZOPIPTSA-N 2 0 306.425 2.930 20 0 DFADRP C[C@@H]([NH2+][C@H]1CC12CC[NH2+]CC2)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000643536299 430613987 /nfs/dbraw/zinc/61/39/87/430613987.db2.gz SQINPVWTJTZGGZ-WBMJQRKESA-N 2 0 313.445 2.709 20 0 DFADRP COc1ccc([C@H]2C[C@@H]2[C@H](C)[NH2+][C@H]2CC23CC[NH2+]CC3)cc1 ZINC000643536010 430614025 /nfs/dbraw/zinc/61/40/25/430614025.db2.gz LWMBEQXQOPQOAT-LIRZEXBASA-N 2 0 300.446 2.919 20 0 DFADRP COc1ccc([C@H](C)[C@@H](C)[NH2+][C@@H]2CC23CC[NH2+]CC3)cc1OC ZINC000643535731 430614140 /nfs/dbraw/zinc/61/41/40/430614140.db2.gz ICSVGRPBVOLVTM-HBUWYVDXSA-N 2 0 318.461 2.928 20 0 DFADRP COc1ccccc1C[C@H]([NH2+][C@H]1CC12CC[NH2+]CC2)C(C)C ZINC000643535389 430614152 /nfs/dbraw/zinc/61/41/52/430614152.db2.gz LLDASVDKDIOLNY-WMZOPIPTSA-N 2 0 302.462 2.994 20 0 DFADRP COc1ccc([C@H](C)[C@@H](C)[NH2+][C@H]2CC23CC[NH2+]CC3)cc1OC ZINC000643535732 430614600 /nfs/dbraw/zinc/61/46/00/430614600.db2.gz ICSVGRPBVOLVTM-LBTNJELSSA-N 2 0 318.461 2.928 20 0 DFADRP Cn1cc([C@H]([NH2+]C[C@@H]2CCC[C@@H]([NH3+])C2)c2cccc(F)c2)cn1 ZINC000643541142 430614727 /nfs/dbraw/zinc/61/47/27/430614727.db2.gz PKJKJPLTSDEYFV-FSPWUOQZSA-N 2 0 316.424 2.756 20 0 DFADRP COc1ccccc1C[C@@H]([NH2+][C@H]1CC12CC[NH2+]CC2)C(C)C ZINC000643535386 430614755 /nfs/dbraw/zinc/61/47/55/430614755.db2.gz LLDASVDKDIOLNY-AEFFLSMTSA-N 2 0 302.462 2.994 20 0 DFADRP C[C@@H]([NH2+][C@H]1CC12CC[NH2+]CC2)c1cc(-c2ccccc2)nn1C ZINC000643536935 430614910 /nfs/dbraw/zinc/61/49/10/430614910.db2.gz YWKIQHINFXZAGZ-KDOFPFPSSA-N 2 0 310.445 2.880 20 0 DFADRP COc1ccc2c(c1)[C@H]([NH2+][C@@H]1CC13CC[NH2+]CC3)CCS2 ZINC000643535206 430615073 /nfs/dbraw/zinc/61/50/73/430615073.db2.gz KMOMWXUMGXDCLW-GDBMZVCRSA-N 2 0 304.459 2.964 20 0 DFADRP Cc1ccc([C@H](C)[NH2+]C2CCC([NH+]3CCNCC3)CC2)c(C)n1 ZINC000643543851 430615539 /nfs/dbraw/zinc/61/55/39/430615539.db2.gz DDAFXSADRUJYRG-AOCRQIFASA-N 2 0 316.493 2.565 20 0 DFADRP CC[C@@H](Cc1cccs1)[NH2+]C1CCC([NH+]2CCNCC2)CC1 ZINC000643543865 430616407 /nfs/dbraw/zinc/61/64/07/430616407.db2.gz IVJKPSKYZSURNW-GTPINHCMSA-N 2 0 321.534 2.875 20 0 DFADRP C[C@@H]1[C@H]([NH2+][C@@H]2CCC[C@@H]2N2CC[C@H](O)C2)C[C@@H]1c1ccccc1 ZINC000639373771 430624782 /nfs/dbraw/zinc/62/47/82/430624782.db2.gz UTLMQVYUXJKKIE-QYEVSOCMSA-N 2 0 314.473 2.756 20 0 DFADRP Cc1ccc(C2CC([NH2+][C@@H]3CCC[C@@H]3N3CC[C@@H](O)C3)C2)cc1 ZINC000639373732 430624989 /nfs/dbraw/zinc/62/49/89/430624989.db2.gz UEJHXEMZARQMNO-WKXIVMOISA-N 2 0 314.473 2.818 20 0 DFADRP c1cc(N2CCC([NH2+][C@@H](C3CCC3)[C@H]3CCCO3)CC2)cc[nH+]1 ZINC000639390063 430631641 /nfs/dbraw/zinc/63/16/41/430631641.db2.gz SUPIWGWKGGPFPK-MOPGFXCFSA-N 2 0 315.461 2.988 20 0 DFADRP CC(C)c1[nH+]c(CN(C)[C@@H]2C[NH+]3CCC2CC3)c2ccccn21 ZINC000639396346 430633018 /nfs/dbraw/zinc/63/30/18/430633018.db2.gz KAZIYWLIJIMGOI-GOSISDBHSA-N 2 0 312.461 2.984 20 0 DFADRP C[C@@H]1C[C@H]([NH2+]Cc2ccc(C[NH3+])cc2)CN1Cc1ccccc1 ZINC000571563311 430637257 /nfs/dbraw/zinc/63/72/57/430637257.db2.gz YEISWZBATHRCGC-UZLBHIALSA-N 2 0 309.457 2.898 20 0 DFADRP CC(C)[N@H+](C)CC1CCN(C(=O)CC[C@@H]2CCCC[NH+]2C)CC1 ZINC000554521446 430640596 /nfs/dbraw/zinc/64/05/96/430640596.db2.gz JIGMBVPZOAOZTD-SFHVURJKSA-N 2 0 323.525 2.830 20 0 DFADRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N1CCC[NH+](CC2CCC2)CC1 ZINC000571620748 430641089 /nfs/dbraw/zinc/64/10/89/430641089.db2.gz OMNLBMZENCKAJN-GOSISDBHSA-N 2 0 321.509 2.584 20 0 DFADRP CCc1[nH+]c2ccccc2c(N2CCC[N@H+](CCO)CC2)c1C ZINC000554537627 430641209 /nfs/dbraw/zinc/64/12/09/430641209.db2.gz KUEBHAXJXSNYNL-UHFFFAOYSA-N 2 0 313.445 2.610 20 0 DFADRP CC(C)n1cc([C@@H](C)[NH2+]CCCN2CC[NH+](C(C)C)CC2)cn1 ZINC000554550944 430642660 /nfs/dbraw/zinc/64/26/60/430642660.db2.gz UYZPQQHMKHBWEA-QGZVFWFLSA-N 2 0 321.513 2.531 20 0 DFADRP C[NH+](C)CCC1CC[NH+](Cc2cccc3c2CCOC3)CC1 ZINC000639458765 430644179 /nfs/dbraw/zinc/64/41/79/430644179.db2.gz XPDXPDQFORVRFX-UHFFFAOYSA-N 2 0 302.462 2.923 20 0 DFADRP CCc1ccc(NC(=O)[C@H](C)[NH+]2CCC(CC[NH3+])CC2)cc1 ZINC000572008257 430666713 /nfs/dbraw/zinc/66/67/13/430666713.db2.gz SFMYAXXGCSLDQX-AWEZNQCLSA-N 2 0 303.450 2.637 20 0 DFADRP Cc1cccc(NC(=O)C[C@H](C)[NH2+]C[C@H]2CCC[C@H]([NH3+])C2)c1 ZINC000572112056 430671907 /nfs/dbraw/zinc/67/19/07/430671907.db2.gz BTAURBFAFVSLGB-JYJNAYRXSA-N 2 0 303.450 2.819 20 0 DFADRP CC[NH+](CC)[C@@H](CNC(=O)[C@@H]1CCCCC[NH2+]1)c1ccsc1 ZINC000572123279 430673096 /nfs/dbraw/zinc/67/30/96/430673096.db2.gz HFWWBAZFAWVHPQ-HOTGVXAUSA-N 2 0 323.506 2.779 20 0 DFADRP c1cc(C[N@@H+]2CC[C@@H](Oc3ccncc3)C2)c2c(c1)COCC2 ZINC000639615005 430681832 /nfs/dbraw/zinc/68/18/32/430681832.db2.gz HZVHAGPUTGYZCG-GOSISDBHSA-N 2 0 310.397 2.808 20 0 DFADRP COc1cccc(OCCC[NH2+][C@H]2C[C@H](C)[N@H+](C)C[C@H]2C)c1 ZINC000090060611 278018668 /nfs/dbraw/zinc/01/86/68/278018668.db2.gz APLAOMZAHAFQLF-VKJFTORMSA-N 2 0 306.450 2.782 20 0 DFADRP CSCC[NH+]1CCC(CC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000175796485 278129995 /nfs/dbraw/zinc/12/99/95/278129995.db2.gz KIWRYWXHVZSMNT-HUUCEWRRSA-N 2 0 300.512 2.561 20 0 DFADRP C[C@H](CNC(=O)[C@H](C)[C@H]([NH3+])c1ccccc1)[NH+]1CCC(C)CC1 ZINC000263239634 278205971 /nfs/dbraw/zinc/20/59/71/278205971.db2.gz FSLMCLLMOKPMIM-NUJGCVRESA-N 2 0 317.477 2.559 20 0 DFADRP C[C@H](C[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1)N1CCc2sccc2C1 ZINC000177864208 278209723 /nfs/dbraw/zinc/20/97/23/278209723.db2.gz LNBXDCRPFTYRJH-SQWLQELKSA-N 2 0 307.507 2.567 20 0 DFADRP C[NH+](C)CCOCC[NH2+][C@@H]1CCCOc2ccc(Cl)cc21 ZINC000572708134 430695253 /nfs/dbraw/zinc/69/52/53/430695253.db2.gz PMBHZQKEARKGLX-OAHLLOKOSA-N 2 0 312.841 2.722 20 0 DFADRP C[C@@H](CCN[C@@H]1CC[N@H+](C)[C@H](C)C1)[NH+](C)Cc1ccccc1 ZINC000246985786 278233849 /nfs/dbraw/zinc/23/38/49/278233849.db2.gz JCHQXSFIESPDGQ-YQVWRLOYSA-N 2 0 303.494 2.969 20 0 DFADRP C[C@H]([NH2+]C1CC[NH+](CC2CCCC2)CC1)C(C)(C)n1cncn1 ZINC000370740296 278254082 /nfs/dbraw/zinc/25/40/82/278254082.db2.gz RRSJVARDVLSIPV-HNNXBMFYSA-N 2 0 319.497 2.646 20 0 DFADRP C[C@@H](CN1CC[NH+](C)CC1)[NH2+][C@H]1CC[C@@H](C)c2ccccc21 ZINC000155062115 278261190 /nfs/dbraw/zinc/26/11/90/278261190.db2.gz HMHQSZVHFHFYHA-GJYPPUQNSA-N 2 0 301.478 2.851 20 0 DFADRP CN1CC[NH+](CCCC[NH2+]Cc2ccc3occc3c2)CC1 ZINC000556837511 430694042 /nfs/dbraw/zinc/69/40/42/430694042.db2.gz MKQLAQXMRQCZBS-UHFFFAOYSA-N 2 0 301.434 2.550 20 0 DFADRP CN(CCC[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@@H]21)c1ccccc1 ZINC000556875637 430695392 /nfs/dbraw/zinc/69/53/92/430695392.db2.gz AHQSZGZJJHOHAN-GUDVDZBRSA-N 2 0 301.478 2.975 20 0 DFADRP C[C@@H](C[NH2+][C@@H]1CC(C)(C)Cc2occc21)N1CC[NH+](C)CC1 ZINC000127468147 278284538 /nfs/dbraw/zinc/28/45/38/278284538.db2.gz OLFXFCBMOMTBEV-GOEBONIOSA-N 2 0 305.466 2.519 20 0 DFADRP CC(C)(C)C1CCC(C[NH+]2CCN([C@@H]3CC[NH2+]C3)CC2)CC1 ZINC000262443405 278300694 /nfs/dbraw/zinc/30/06/94/278300694.db2.gz GZOSFBLRPSHFRG-DAWZGUTISA-N 2 0 307.526 2.818 20 0 DFADRP COCC1(C[NH2+][C@H]2CCc3c2cccc3Cl)CC[NH2+]CC1 ZINC000572833015 430697138 /nfs/dbraw/zinc/69/71/38/430697138.db2.gz XUUAVEZBLLNHJG-INIZCTEOSA-N 2 0 308.853 2.933 20 0 DFADRP C[C@@H]([NH2+][C@@H]1CCCC[C@H]1O)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000274802301 278368774 /nfs/dbraw/zinc/36/87/74/278368774.db2.gz RLMUSIKGXREWJD-NXWXRZEISA-N 2 0 302.462 2.790 20 0 DFADRP c1ccc(C2CC2)c(C[NH2+]C2CCN([C@H]3CCOC3)CC2)c1 ZINC000657750122 430725224 /nfs/dbraw/zinc/72/52/24/430725224.db2.gz AMRWEEKUQYSTED-SFHVURJKSA-N 2 0 300.446 2.907 20 0 DFADRP Fc1ccc(/C=C/C[NH2+]C2CCN([C@@H]3CCOC3)CC2)c(F)c1 ZINC000657751206 430725509 /nfs/dbraw/zinc/72/55/09/430725509.db2.gz HBCLPTYBNKOOAH-WZHGYECESA-N 2 0 322.399 2.821 20 0 DFADRP c1cc2cc(C[NH2+]C3CCN([C@H]4CCOC4)CC3)ccc2cn1 ZINC000657751234 430725864 /nfs/dbraw/zinc/72/58/64/430725864.db2.gz HKHZCBDUNIFXAF-IBGZPJMESA-N 2 0 311.429 2.578 20 0 DFADRP CCOc1ccc(C[NH2+]C2CCN([C@H]3CCOC3)CC2)c(C)c1 ZINC000657752593 430726609 /nfs/dbraw/zinc/72/66/09/430726609.db2.gz QKLGVNIAQBABOG-SFHVURJKSA-N 2 0 318.461 2.737 20 0 DFADRP C[C@H](Cc1cnccn1)[NH2+]C[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000651210930 430737034 /nfs/dbraw/zinc/73/70/34/430737034.db2.gz ADTDTWGWXDDDHF-IEBWSBKVSA-N 2 0 324.472 2.909 20 0 DFADRP CC[NH+](CC)Cc1ccccc1C[NH2+]C[C@H](O)C(F)(F)F ZINC000644513802 430739236 /nfs/dbraw/zinc/73/92/36/430739236.db2.gz TXEXNTXGCYPTBA-AWEZNQCLSA-N 2 0 304.356 2.541 20 0 DFADRP CCC(C)(C)[C@@H](C)[NH2+]Cc1cccc(C(=O)NCC[NH+](C)C)c1 ZINC000651215806 430739784 /nfs/dbraw/zinc/73/97/84/430739784.db2.gz ZEILVWRPSJACOC-OAHLLOKOSA-N 2 0 319.493 2.892 20 0 DFADRP COc1cc(C)nc(C[NH2+]CC2CC[NH+](CC3CC3)CC2)c1 ZINC000657813593 430743011 /nfs/dbraw/zinc/74/30/11/430743011.db2.gz TTWSXRGUJCTQNA-UHFFFAOYSA-N 2 0 303.450 2.610 20 0 DFADRP Cc1c(F)cccc1NC(=O)CC[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000644524132 430743972 /nfs/dbraw/zinc/74/39/72/430743972.db2.gz VVPFIWCDBHKBHG-CABCVRRESA-N 2 0 319.424 2.679 20 0 DFADRP CC[C@@H]([NH2+]C1CCN(C[C@@H]2CCCO2)CC1)c1ccncc1 ZINC000651228804 430744265 /nfs/dbraw/zinc/74/42/65/430744265.db2.gz CYTNQVBVBKZLSH-ZWKOTPCHSA-N 2 0 303.450 2.766 20 0 DFADRP CC(C)[C@@H](C[NH2+][C@H](C)C(C)(C)C(F)F)N1CC[NH+](C)CC1 ZINC000657834318 430747952 /nfs/dbraw/zinc/74/79/52/430747952.db2.gz SFWJKJQLMRXMOM-ZIAGYGMSSA-N 2 0 305.457 2.528 20 0 DFADRP CC[NH+]1CCN(CCC[NH2+][C@H](C)c2cc3cnccc3o2)CC1 ZINC000657832305 430748321 /nfs/dbraw/zinc/74/83/21/430748321.db2.gz BZQITJMGCQITQP-OAHLLOKOSA-N 2 0 316.449 2.506 20 0 DFADRP CC(C)(C)[NH+]1CCC([NH2+][C@@H]2CC[C@](O)(C(F)(F)F)C2)CC1 ZINC000644551600 430750585 /nfs/dbraw/zinc/75/05/85/430750585.db2.gz JXELAKSXJCWASM-TZMCWYRMSA-N 2 0 308.388 2.685 20 0 DFADRP C[C@H]([NH2+][C@@H]1CCN(c2ccccc2F)C1)C1CC[NH+](C)CC1 ZINC000644558348 430752547 /nfs/dbraw/zinc/75/25/47/430752547.db2.gz RVTSFWPGBXZTDK-GOEBONIOSA-N 2 0 305.441 2.724 20 0 DFADRP CN(C)CC[NH+]1CCC(C[NH2+][C@@H]2[C@@H]3CCC[C@@H]3C2(C)C)CC1 ZINC000657872492 430757609 /nfs/dbraw/zinc/75/76/09/430757609.db2.gz PTQZFYSQPMVXGQ-FGTMMUONSA-N 2 0 307.526 2.674 20 0 DFADRP CC[C@@H](Cc1ccc(Cl)cc1)[NH2+][C@H](C)CN1CC[NH+](C)CC1 ZINC000657877049 430759543 /nfs/dbraw/zinc/75/95/43/430759543.db2.gz BGXOBURTXMYWBR-QAPCUYQASA-N 2 0 323.912 2.887 20 0 DFADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)[C@@H]1C[C@@H]1C1CCCC1 ZINC000651328276 430767079 /nfs/dbraw/zinc/76/70/79/430767079.db2.gz UHDXHUHDLXMERG-QZTJIDSGSA-N 2 0 323.525 2.545 20 0 DFADRP CN(Cc1ccccc1)C[C@@H](O)C[NH2+]CC1(C2CC2)CCC1 ZINC000644606262 430767621 /nfs/dbraw/zinc/76/76/21/430767621.db2.gz VNZIINYESRRUAN-SFHVURJKSA-N 2 0 302.462 2.649 20 0 DFADRP CCOC1CCC([NH2+]C2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)CC1 ZINC000657925074 430768676 /nfs/dbraw/zinc/76/86/76/430768676.db2.gz MFVALELIPBSISB-AWRGBYNESA-N 2 0 324.509 2.692 20 0 DFADRP O[C@H](C[NH2+]CC1CCN(c2cc[nH+]cc2)CC1)C1CCCCC1 ZINC000644618180 430770965 /nfs/dbraw/zinc/77/09/65/430770965.db2.gz NDZSYDXMCVJSKV-LJQANCHMSA-N 2 0 317.477 2.829 20 0 DFADRP O[C@H]1CC[N@H+](Cc2ccccc2C[NH2+][C@H]2CCCSCC2)C1 ZINC000657969743 430777171 /nfs/dbraw/zinc/77/71/71/430777171.db2.gz UJIYHMZTEVDLBP-ROUUACIJSA-N 2 0 320.502 2.629 20 0 DFADRP COC[C@@H](CC1CCOCC1)[NH2+]CC[C@H](C)[NH+]1CCCCC1 ZINC000657972401 430779370 /nfs/dbraw/zinc/77/93/70/430779370.db2.gz GEXWMHGJXIVROV-FUHWJXTLSA-N 2 0 312.498 2.672 20 0 DFADRP CCc1cccnc1[C@H](C)[NH2+][C@@H](C)CN(C)CCC[NH+](C)C ZINC000658106620 430813543 /nfs/dbraw/zinc/81/35/43/430813543.db2.gz JKNZIFQKJGIAIQ-HOTGVXAUSA-N 2 0 306.498 2.567 20 0 DFADRP Cc1cccc2c1CC[C@@H]2[NH2+][C@@H](C)CN(C)CCC[NH+](C)C ZINC000658110537 430814603 /nfs/dbraw/zinc/81/46/03/430814603.db2.gz YISBQAOFKFFFSD-LPHOPBHVSA-N 2 0 303.494 2.844 20 0 DFADRP COc1cccc([C@@H](C)[NH2+][C@@H](C)CN(C)CCC[NH+](C)C)c1 ZINC000658110482 430815175 /nfs/dbraw/zinc/81/51/75/430815175.db2.gz XVLDJRVNJLBTJY-JKSUJKDBSA-N 2 0 307.482 2.618 20 0 DFADRP O[C@]12C[C@H]1C[N@H+](Cc1cccc(C[NH+]3CCCCC3)c1)CC2 ZINC000661721683 430819877 /nfs/dbraw/zinc/81/98/77/430819877.db2.gz VBJYRAYYSLKQLU-RBUKOAKNSA-N 2 0 300.446 2.629 20 0 DFADRP CO[C@](C)(C[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1)COCc1ccccc1 ZINC000658133378 430821053 /nfs/dbraw/zinc/82/10/53/430821053.db2.gz QNOWWNFDVPOYCN-BHIYHBOVSA-N 2 0 320.477 2.681 20 0 DFADRP C[C@H]([NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)C1(CO)CC1 ZINC000658155645 430825359 /nfs/dbraw/zinc/82/53/59/430825359.db2.gz QMTGOFQFLYLRGN-KANFNMMFSA-N 2 0 314.473 2.933 20 0 DFADRP C[NH+](C)CCOc1ccc(C[NH2+]C[C@@H]2CCOC(C)(C)C2)cc1 ZINC000651596160 430826475 /nfs/dbraw/zinc/82/64/75/430826475.db2.gz IAUMXDFGUSKBKM-QGZVFWFLSA-N 2 0 320.477 2.922 20 0 DFADRP c1cc2c(c(C[NH+]3CCC(C[NH+]4CCOCC4)CC3)c1)CCC2 ZINC000651613850 430830939 /nfs/dbraw/zinc/83/09/39/430830939.db2.gz UJHRKRHEXWBNNM-UHFFFAOYSA-N 2 0 314.473 2.720 20 0 DFADRP Cc1n[nH]cc1[C@H](C)[NH2+]CC1CC[NH+](Cc2ccncc2)CC1 ZINC000658165718 430833142 /nfs/dbraw/zinc/83/31/42/430833142.db2.gz KXSVHMWHJIACSH-AWEZNQCLSA-N 2 0 313.449 2.676 20 0 DFADRP COCCC[C@@H](C)[NH2+]CC1CC[NH+](Cc2ccncc2)CC1 ZINC000658166781 430834201 /nfs/dbraw/zinc/83/42/01/430834201.db2.gz ORIZMTUQUHEINH-MRXNPFEDSA-N 2 0 305.466 2.698 20 0 DFADRP C[C@@H]([NH2+][C@@H]1COC(C)(C)C1)c1ccc(OCC[NH+](C)C)cc1 ZINC000658057939 430796109 /nfs/dbraw/zinc/79/61/09/430796109.db2.gz KDRGQWZZYBEFHA-ZBFHGGJFSA-N 2 0 306.450 2.845 20 0 DFADRP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+][C@H](CO)CC2CC2)CC1 ZINC000648485964 430803018 /nfs/dbraw/zinc/80/30/18/430803018.db2.gz QGWUEZSUXPBSER-UZLBHIALSA-N 2 0 316.489 2.833 20 0 DFADRP CCO[C@@H](CC[NH+](C)C)C[NH2+][C@H]1CCCc2ccccc2C1 ZINC000648500764 430809589 /nfs/dbraw/zinc/80/95/89/430809589.db2.gz GNVMDIFKVSYOOV-OALUTQOASA-N 2 0 304.478 2.880 20 0 DFADRP Cc1ccc(C[C@H](CO)[NH2+][C@@H](C)C2CC[NH+](C)CC2)cc1C ZINC000651496708 430810217 /nfs/dbraw/zinc/81/02/17/430810217.db2.gz DQBIRJKYDZFZHC-QFBILLFUSA-N 2 0 304.478 2.527 20 0 DFADRP CC[C@@]1(C)CCC[C@H]1[NH2+]Cc1cccnc1N1CC[NH+](C)CC1 ZINC000651692648 430850621 /nfs/dbraw/zinc/85/06/21/430850621.db2.gz MWDCIRWLIBFVBJ-MJGOQNOKSA-N 2 0 316.493 2.892 20 0 DFADRP Cc1nn(-c2cccc(C)c2)cc1C[NH2+]CCCC[NH+](C)C ZINC000651692135 430851825 /nfs/dbraw/zinc/85/18/25/430851825.db2.gz VIPIJSGPJSWXQP-UHFFFAOYSA-N 2 0 300.450 2.921 20 0 DFADRP C[C@@H]1CCC[C@H]([NH+]2CCC([NH2+][C@@H]3C[C@@H](O)C34CCC4)CC2)C1 ZINC000658257516 430855226 /nfs/dbraw/zinc/85/52/26/430855226.db2.gz YSXMZWPSGMBOCX-BZZMCLGOSA-N 2 0 306.494 2.923 20 0 DFADRP CCc1cccc(C[NH2+]C2CC[NH+](C[C@@H]3CCOC3)CC2)c1 ZINC000651719014 430859124 /nfs/dbraw/zinc/85/91/24/430859124.db2.gz GFZQLOTVKNRITM-SFHVURJKSA-N 2 0 302.462 2.840 20 0 DFADRP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1[NH2+]Cc1cc(Cl)cc(Cl)c1 ZINC000665229409 430861994 /nfs/dbraw/zinc/86/19/94/430861994.db2.gz XQVSBJXRTABCHZ-HERUPUMHSA-N 2 0 303.233 2.835 20 0 DFADRP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]CCc1noc2ccccc12 ZINC000665232536 430864902 /nfs/dbraw/zinc/86/49/02/430864902.db2.gz OOXTUQISYFHUFN-KSSFIOAISA-N 2 0 309.413 2.918 20 0 DFADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]C[C@@H](OC1CCCC1)C(F)(F)F ZINC000665237797 430864920 /nfs/dbraw/zinc/86/49/20/430864920.db2.gz KCAVCOVKBIZKEI-KWCYVHTRSA-N 2 0 308.388 2.854 20 0 DFADRP C[C@H]([NH3+])[C@H]1COCC[C@@H]1[NH2+]Cc1ccc(Cl)c(Cl)c1 ZINC000665265295 430875011 /nfs/dbraw/zinc/87/50/11/430875011.db2.gz UPJPAVQXMNNIFP-PXWWUCIGSA-N 2 0 303.233 2.835 20 0 DFADRP C[C@@H]1C[N@H+](CCC[NH2+]Cc2cccc3c2CCC3)CCCO1 ZINC000651786401 430875951 /nfs/dbraw/zinc/87/59/51/430875951.db2.gz WAIKSOGPEJQZGE-MRXNPFEDSA-N 2 0 302.462 2.766 20 0 DFADRP Nc1ccc2c(c1)CC[C@@H]2[NH2+]Cc1cc(C2CC[NH2+]CC2)no1 ZINC000665271057 430876209 /nfs/dbraw/zinc/87/62/09/430876209.db2.gz GGSLNPUIRFCOSL-KRWDZBQOSA-N 2 0 312.417 2.501 20 0 DFADRP COC[C@H](CCC[NH3+])[NH2+]Cc1sc(C)cc1Br ZINC000665266594 430877476 /nfs/dbraw/zinc/87/74/76/430877476.db2.gz FTNMTSUZQREQOF-JTQLQIEISA-N 2 0 321.284 2.663 20 0 DFADRP c1ccc([C@H]2CC[C@H]2[NH2+][C@@H]2CCOC[C@@H]2[C@H]2CCC[NH2+]2)cc1 ZINC000665273709 430878634 /nfs/dbraw/zinc/87/86/34/430878634.db2.gz CELMQTGYGGTQJE-FVVUREQNSA-N 2 0 300.446 2.679 20 0 DFADRP CCC[N@@H+]1CC[C@H](N[C@H](c2ccc(OC)cc2)[C@H]2CCC[NH2+]2)C1 ZINC000665273907 430878810 /nfs/dbraw/zinc/87/88/10/430878810.db2.gz GNCYBXRQXVMJIZ-QXAKKESOSA-N 2 0 317.477 2.562 20 0 DFADRP Cn1cc(C[C@@H]2CCC[C@@H]2[NH2+][C@@H]2C[C@H]([NH3+])c3ccccc32)cn1 ZINC000665273179 430879776 /nfs/dbraw/zinc/87/97/76/430879776.db2.gz QZBFTFWPAPBWSU-UDTPNQRGSA-N 2 0 310.445 2.866 20 0 DFADRP CC[C@@H]([NH2+]CC1(CC(=O)NC)CCCCC1)[C@@H]1CCCC[NH2+]1 ZINC000665274981 430879819 /nfs/dbraw/zinc/87/98/19/430879819.db2.gz ADTCTFJKOLLRQA-CVEARBPZSA-N 2 0 309.498 2.583 20 0 DFADRP COC[C@H](CC1CCOCC1)[NH2+]CC1CC[NH+](CC2CC2)CC1 ZINC000658353315 430882741 /nfs/dbraw/zinc/88/27/41/430882741.db2.gz LQMVCNPXLYTDKJ-IBGZPJMESA-N 2 0 324.509 2.530 20 0 DFADRP CC(C)[C@H](Cn1cccn1)[NH2+]CC1CC[NH+](CC2CC2)CC1 ZINC000658353355 430882804 /nfs/dbraw/zinc/88/28/04/430882804.db2.gz MEVXMVWUEGSKKL-SFHVURJKSA-N 2 0 304.482 2.619 20 0 DFADRP CC(C)[C@@H](Cn1cccn1)[NH2+]CC1CC[NH+](CC2CC2)CC1 ZINC000658353354 430883379 /nfs/dbraw/zinc/88/33/79/430883379.db2.gz MEVXMVWUEGSKKL-GOSISDBHSA-N 2 0 304.482 2.619 20 0 DFADRP OCC1CC([NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC000658357259 430885091 /nfs/dbraw/zinc/88/50/91/430885091.db2.gz UCFHRNNTWGQBQZ-UDFCRJRASA-N 2 0 300.446 2.543 20 0 DFADRP [NH3+]Cc1cc(=O)[nH]c(C[NH2+][C@H](c2cccs2)C2CCCC2)n1 ZINC000665291908 430885971 /nfs/dbraw/zinc/88/59/71/430885971.db2.gz NTYDFLWFSUSXSE-INIZCTEOSA-N 2 0 318.446 2.724 20 0 DFADRP CC[C@@H]1CCCC[C@H]1[NH2+]C1CCN(C(=O)CCC[NH2+]C)CC1 ZINC000665287936 430886554 /nfs/dbraw/zinc/88/65/54/430886554.db2.gz YXXFDQPDLONCDW-NVXWUHKLSA-N 2 0 309.498 2.535 20 0 DFADRP [NH3+]Cc1cc(=O)[nH]c(C[NH2+][C@@H]2CCCC[C@H]2C2CCCCC2)n1 ZINC000665291650 430886604 /nfs/dbraw/zinc/88/66/04/430886604.db2.gz HGBFMPMCQKIQKD-JKSUJKDBSA-N 2 0 318.465 2.870 20 0 DFADRP CC[C@@H]1CC[C@H](C)C[C@@H]1[NH2+]C1CCN(C(=O)CCC[NH2+]C)CC1 ZINC000665289160 430887340 /nfs/dbraw/zinc/88/73/40/430887340.db2.gz IBISMSWQNDWMEZ-JZXOWHBKSA-N 2 0 323.525 2.781 20 0 DFADRP CCc1ccc([C@H]([NH2+]Cc2nc(C[NH3+])cc(=O)[nH]2)C(C)C)cc1 ZINC000665291864 430887809 /nfs/dbraw/zinc/88/78/09/430887809.db2.gz MYTRNMVEXBEWRS-GOSISDBHSA-N 2 0 314.433 2.690 20 0 DFADRP C[NH2+]CCCC(=O)N1CCC([NH2+][C@H]2CCC[C@@H](C(C)C)C2)CC1 ZINC000665289198 430887891 /nfs/dbraw/zinc/88/78/91/430887891.db2.gz IWQBRVYNFQFFJY-AEFFLSMTSA-N 2 0 323.525 2.781 20 0 DFADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@@H]2C[C@H](c3ccccc3)CO2)[C@H](C)C1 ZINC000658205991 430841111 /nfs/dbraw/zinc/84/11/11/430841111.db2.gz GFJBAORYEQCZDP-BVBHFADKSA-N 2 0 302.462 2.879 20 0 DFADRP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]CC1CC[NH+](CC2CC2)CC1 ZINC000665300124 430891286 /nfs/dbraw/zinc/89/12/86/430891286.db2.gz YRVNIGBYCPRSMB-JXFKEZNVSA-N 3 0 315.505 2.657 20 0 DFADRP C[C@H]([NH3+])[C@H](Cc1ccccc1)NC[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000665299840 430891765 /nfs/dbraw/zinc/89/17/65/430891765.db2.gz UHHMQODAKORSBP-VDGAXYAQSA-N 2 0 315.505 2.657 20 0 DFADRP CC[C@H](C)[NH+]1CCN(Cc2ccc(OCC[NH+](C)C)cc2)CC1 ZINC000648796380 430895429 /nfs/dbraw/zinc/89/54/29/430895429.db2.gz KTGRYNCTWBZFPX-KRWDZBQOSA-N 2 0 319.493 2.543 20 0 DFADRP C[C@@H](C[NH+]1CCN([C@@H]2CCC[N@H+](C)C2)CC1)C1CCCCC1 ZINC000645095050 430900679 /nfs/dbraw/zinc/90/06/79/430900679.db2.gz QXJPJULBVBQHHU-PKOBYXMFSA-N 2 0 307.526 2.915 20 0 DFADRP C[NH+](C)CCOc1ccc(CNCC[N@@H+]2CCCC2(C)C)cc1 ZINC000648870667 430922012 /nfs/dbraw/zinc/92/20/12/430922012.db2.gz FDULIWMKGCSZOA-UHFFFAOYSA-N 2 0 319.493 2.591 20 0 DFADRP C[NH+](C)[C@H]1CCc2cc(NC(=O)NCC3([NH3+])CCCC3)ccc21 ZINC000659016407 430939765 /nfs/dbraw/zinc/93/97/65/430939765.db2.gz ZNPVZLNBWTXAAZ-INIZCTEOSA-N 2 0 316.449 2.629 20 0 DFADRP O[C@H]1CC[N@@H+](C2CCN([C@H]3CCc4c3cccc4Cl)CC2)C1 ZINC000662154071 430979723 /nfs/dbraw/zinc/97/97/23/430979723.db2.gz WDEXUABVTTXNJO-KSSFIOAISA-N 2 0 320.864 2.858 20 0 DFADRP C[C@@H]([NH2+]CCOCC[NH+](C)C)c1ccc(-c2ccccc2)cn1 ZINC000652192545 430983206 /nfs/dbraw/zinc/98/32/06/430983206.db2.gz DNXHGGVWCRNRGS-MRXNPFEDSA-N 2 0 313.445 2.977 20 0 DFADRP CC[NH+](CC)[C@H](C)CNC(=O)CC[C@H]([NH3+])CC1CCCCC1 ZINC000645472776 431011796 /nfs/dbraw/zinc/01/17/96/431011796.db2.gz KTYKRGMNSOYCTA-WBVHZDCISA-N 2 0 311.514 2.911 20 0 DFADRP C[NH+]1CCC(N2CC[C@H]([NH2+][C@@H]3CCCC34CCCC4)C2)CC1 ZINC000645408958 430994372 /nfs/dbraw/zinc/99/43/72/430994372.db2.gz MDGBTQPZLZLJJK-FUHWJXTLSA-N 2 0 305.510 2.857 20 0 DFADRP CC[N@H+](CCOc1ccccc1OC)CC[C@@H]1CCC[NH+]1C ZINC000662205541 430998090 /nfs/dbraw/zinc/99/80/90/430998090.db2.gz PWVHNFGVTHEZLP-INIZCTEOSA-N 2 0 306.450 2.880 20 0 DFADRP CC1(C)CO[C@H](c2cccc(F)c2)C[N@@H+]1CC1CC[NH2+]CC1 ZINC000662222063 431004002 /nfs/dbraw/zinc/00/40/02/431004002.db2.gz DWWLYFXYKNULTN-KRWDZBQOSA-N 2 0 306.425 2.977 20 0 DFADRP CCCN(C(=O)c1ccc(C[NH+](CC)CC)o1)[C@H]1CC[N@H+](C)C1 ZINC000649001599 430969400 /nfs/dbraw/zinc/96/94/00/430969400.db2.gz PPIQDYDSDLWLMI-HNNXBMFYSA-N 2 0 321.465 2.678 20 0 DFADRP Cc1ccc([C@H]2CSCC[N@@H+]2C[C@H]2CCC3(C[NH2+]C3)O2)cc1 ZINC000662256281 431019603 /nfs/dbraw/zinc/01/96/03/431019603.db2.gz UUNLQYCBXVKKRY-IAGOWNOFSA-N 2 0 318.486 2.606 20 0 DFADRP C[C@]1(CCc2ccccc2)CC[N@H+](C[C@@H]2CCC3(C[NH2+]C3)O2)C1 ZINC000662257689 431020318 /nfs/dbraw/zinc/02/03/18/431020318.db2.gz RMGFDLPMXOZMES-OALUTQOASA-N 2 0 314.473 2.852 20 0 DFADRP CO[C@@H](CN(Cc1ccccn1)[C@H]1CCC[NH2+]CC1)C1CCC1 ZINC000662264842 431020759 /nfs/dbraw/zinc/02/07/59/431020759.db2.gz SPAAUSDKYOBMRF-OALUTQOASA-N 2 0 317.477 2.841 20 0 DFADRP CCc1nc(C)c([C@H](C)[N@H+](C)C[C@@H]2CCC3(C[NH2+]C3)O2)s1 ZINC000662262045 431020794 /nfs/dbraw/zinc/02/07/94/431020794.db2.gz DATFCFLYKRJOHE-STQMWFEESA-N 2 0 309.479 2.528 20 0 DFADRP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cccc3c2CC[NH2+]C3)C[C@H]1C ZINC000662263569 431020877 /nfs/dbraw/zinc/02/08/77/431020877.db2.gz NKPDAJMHOURFGK-QAPCUYQASA-N 3 0 301.478 2.637 20 0 DFADRP CC(C)[N@H+](C)CC1CC[NH+](Cc2cccc3c2CC[NH2+]C3)CC1 ZINC000662261398 431022257 /nfs/dbraw/zinc/02/22/57/431022257.db2.gz XIVSBFHLMLLTMY-UHFFFAOYSA-N 3 0 315.505 2.885 20 0 DFADRP c1cc2c(cc1C[N@@H+]1CCC[C@H]([C@@H]3CCC[NH2+]C3)C1)C[NH2+]CC2 ZINC000652340858 431024582 /nfs/dbraw/zinc/02/45/82/431024582.db2.gz JRSYSIYUVVZUIX-MOPGFXCFSA-N 3 0 313.489 2.544 20 0 DFADRP c1cc2c(cc1C[N@@H+]1CCC[C@@]3(CCCOC3)C1)C[NH2+]CC2 ZINC000652338165 431025536 /nfs/dbraw/zinc/02/55/36/431025536.db2.gz HGWQOKXFBCCEPZ-LJQANCHMSA-N 2 0 300.446 2.725 20 0 DFADRP c1cc(C[N@@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)c2c(c1)C[NH2+]CC2 ZINC000662273009 431026443 /nfs/dbraw/zinc/02/64/43/431026443.db2.gz JIXQEHZJPAIESW-SJLPKXTDSA-N 3 0 313.489 2.544 20 0 DFADRP C[C@@H]1CCC[N@H+](CCc2nc3ccccc3n2C)[C@H]1CC[NH3+] ZINC000652355577 431030122 /nfs/dbraw/zinc/03/01/22/431030122.db2.gz ADDFVIUEXAVRQP-ZBFHGGJFSA-N 2 0 300.450 2.565 20 0 DFADRP CC[NH+](CC)[C@H](CNC(=O)[C@H]1[NH2+]CCC1(C)C)c1ccccc1 ZINC000662391644 431069432 /nfs/dbraw/zinc/06/94/32/431069432.db2.gz DSXFRYDRIZMRJS-IAGOWNOFSA-N 2 0 317.477 2.574 20 0 DFADRP CC1(C)CCCC[C@H]1C[N@@H+]1CCC[C@@H](n2cc(C[NH3+])nn2)C1 ZINC000662280079 431033555 /nfs/dbraw/zinc/03/35/55/431033555.db2.gz CFQJDJBJRFNDQL-GOEBONIOSA-N 2 0 305.470 2.590 20 0 DFADRP C[C@H]1CN(Cc2nc(C(C)(C)[NH3+])no2)CCc2ccc(F)cc21 ZINC000652363578 431033617 /nfs/dbraw/zinc/03/36/17/431033617.db2.gz IKIZXWYDFJGJIJ-NSHDSACASA-N 2 0 318.396 2.564 20 0 DFADRP C[C@H]([NH3+])c1ccc(C(=O)N[C@@H]2C[NH2+]CC[C@@H]2c2ccccc2)cc1 ZINC000659348791 431033601 /nfs/dbraw/zinc/03/36/01/431033601.db2.gz OVPUNQSGSHBEAX-GDIGMMSISA-N 2 0 323.440 2.582 20 0 DFADRP CCO[C@@H]1C[N@H+](CCSc2cccc(Cl)c2)C[C@H]1C[NH3+] ZINC000662286120 431034719 /nfs/dbraw/zinc/03/47/19/431034719.db2.gz OHAPQVNUUYANOP-IUODEOHRSA-N 2 0 314.882 2.728 20 0 DFADRP C[C@H](C(=O)NC1CCCCC1)[NH+]1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000662290641 431035109 /nfs/dbraw/zinc/03/51/09/431035109.db2.gz HDAQSOLDMPUCHD-WBVHZDCISA-N 2 0 321.509 2.535 20 0 DFADRP Cc1ccc(NC(=O)C[NH+]2CCC([C@@H]3CCC[NH2+]C3)CC2)cc1 ZINC000662289984 431035254 /nfs/dbraw/zinc/03/52/54/431035254.db2.gz CKBWCWPQUMXARC-QGZVFWFLSA-N 2 0 315.461 2.645 20 0 DFADRP O=C(C[NH+]1CCC([C@H]2CCC[NH2+]C2)CC1)NC1CCCCCC1 ZINC000662290283 431035898 /nfs/dbraw/zinc/03/58/98/431035898.db2.gz ORDHVJBBUDDAFE-KRWDZBQOSA-N 2 0 321.509 2.537 20 0 DFADRP CO[C@H](C[N@@H+]1CCCC[C@@H]1[C@H]1C[C@H]([NH3+])CCO1)C1CCCCC1 ZINC000662285075 431035909 /nfs/dbraw/zinc/03/59/09/431035909.db2.gz WEMNTHOCXBOAEQ-NCXUSEDFSA-N 2 0 324.509 2.943 20 0 DFADRP Cc1ccc2nc(C[N@@H+]3CCC[C@@H](C4CC[NH2+]CC4)C3)cn2c1 ZINC000662295563 431036987 /nfs/dbraw/zinc/03/69/87/431036987.db2.gz VEWJONXAYMXJSO-QGZVFWFLSA-N 2 0 312.461 2.854 20 0 DFADRP Cc1cccc(NC(=O)C[N@@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)c1 ZINC000662296218 431037594 /nfs/dbraw/zinc/03/75/94/431037594.db2.gz YGRGVGCPVMZSTD-KRWDZBQOSA-N 2 0 315.461 2.645 20 0 DFADRP Cc1ccc(NC(=O)C[N@@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)cc1 ZINC000662296378 431038877 /nfs/dbraw/zinc/03/88/77/431038877.db2.gz ZTDQQYUAFRVTEA-KRWDZBQOSA-N 2 0 315.461 2.645 20 0 DFADRP C(c1noc2c1CCCC2)[N@@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662298967 431039164 /nfs/dbraw/zinc/03/91/64/431039164.db2.gz YVLZCVULDHUPJF-OAHLLOKOSA-N 2 0 303.450 2.765 20 0 DFADRP COc1ccc(OCC[N@@H+]2CCC[C@@H](C)[C@H]2CCC[NH3+])cc1 ZINC000662312900 431041248 /nfs/dbraw/zinc/04/12/48/431041248.db2.gz ACLMLWXFKWXHBH-CRAIPNDOSA-N 2 0 306.450 2.913 20 0 DFADRP C[C@@H]1CCC[N@H+](CC(=O)N(C)CC2CCCCC2)[C@@H]1CCC[NH3+] ZINC000662316368 431043983 /nfs/dbraw/zinc/04/39/83/431043983.db2.gz WCVPVIAIMYXFMK-SJLPKXTDSA-N 2 0 323.525 2.865 20 0 DFADRP COc1ccc([C@@H](C)C[N@@H+]2CCO[C@H](CCC[NH+](C)C)C2)cc1 ZINC000662325069 431045910 /nfs/dbraw/zinc/04/59/10/431045910.db2.gz BLWLLUGAZBGMOF-QFBILLFUSA-N 2 0 320.477 2.841 20 0 DFADRP C[C@H]1CCCC[N@@H+]1CCCNC(=O)C[C@H]1[NH2+]Cc2ccccc21 ZINC000662352421 431055454 /nfs/dbraw/zinc/05/54/54/431055454.db2.gz VBRHFPCARVOMLH-MAUKXSAKSA-N 2 0 315.461 2.602 20 0 DFADRP CC(C)[NH+](CCNC(=O)[C@@H]([NH3+])c1cccc(Cl)c1)C(C)C ZINC000649276844 431055884 /nfs/dbraw/zinc/05/58/84/431055884.db2.gz MCLYLCHWXSHOGJ-HNNXBMFYSA-N 2 0 311.857 2.575 20 0 DFADRP C[N@H+](CCNC(=O)[C@H]([NH3+])c1cccc(Cl)c1)C1CCCCC1 ZINC000649294022 431058210 /nfs/dbraw/zinc/05/82/10/431058210.db2.gz ZKZJGYCIUOPDPG-MRXNPFEDSA-N 2 0 323.868 2.721 20 0 DFADRP O=C(Nc1ccc(C[NH+]2CCCC2)cc1)[C@H]1C[C@]12CCC[NH2+]C2 ZINC000655610342 431061095 /nfs/dbraw/zinc/06/10/95/431061095.db2.gz OBLPUPOVBVLBKV-MJGOQNOKSA-N 2 0 313.445 2.611 20 0 DFADRP Cc1ccc([C@H](CNC(=O)CCC(C)(C)[NH3+])[NH+]2CCCC2)cc1 ZINC000649309978 431062767 /nfs/dbraw/zinc/06/27/67/431062767.db2.gz MGYOQNLXOBSXOF-KRWDZBQOSA-N 2 0 317.477 2.766 20 0 DFADRP [NH3+]C1CCC(C(=O)N2CCC[C@H](C[NH+]3CCCCCC3)C2)CC1 ZINC000649320040 431064844 /nfs/dbraw/zinc/06/48/44/431064844.db2.gz KIRYTWVYJFXWKF-WWDZGPRUSA-N 2 0 321.509 2.619 20 0 DFADRP C[C@H](NC(=O)CC[C@@H]([NH3+])CC1CCCCC1)C1CC[NH+](C)CC1 ZINC000649314660 431065866 /nfs/dbraw/zinc/06/58/66/431065866.db2.gz INDYZCXOJJODHU-MAUKXSAKSA-N 2 0 323.525 2.911 20 0 DFADRP CC(C)([NH3+])CCC(=O)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000649320240 431066498 /nfs/dbraw/zinc/06/64/98/431066498.db2.gz QXXHYAUIEOVLGE-INIZCTEOSA-N 2 0 309.498 2.619 20 0 DFADRP C[C@H]([NH2+]C1(CNC(=O)[C@H]2C[C@@H]([NH3+])C2)CCCC1)c1ccccc1 ZINC000649331773 431066955 /nfs/dbraw/zinc/06/69/55/431066955.db2.gz WADDCKDNAOCFSC-BHYGNILZSA-N 2 0 315.461 2.504 20 0 DFADRP CC[NH+](CC)[C@@H](C)CNC(=O)C(C)(C)[C@H]([NH3+])c1ccccc1 ZINC000645472842 431013024 /nfs/dbraw/zinc/01/30/24/431013024.db2.gz MBAFQJOFUPVCHZ-GOEBONIOSA-N 2 0 305.466 2.559 20 0 DFADRP OC[C@H](CCF)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000652300577 431013966 /nfs/dbraw/zinc/01/39/66/431013966.db2.gz HBIJYNNXSVQCBM-WJFTUGDTSA-N 2 0 320.452 2.740 20 0 DFADRP C[N@H+](Cc1cccc2c1CC[NH2+]C2)[C@@H](CCO)c1ccccc1 ZINC000662254748 431014617 /nfs/dbraw/zinc/01/46/17/431014617.db2.gz KYQBSLVLLMBBNE-FQEVSTJZSA-N 2 0 310.441 2.888 20 0 DFADRP CCO[C@@H]1C[C@@H]([N@H+](C)C[C@@H]2CCC3(C[NH2+]C3)O2)C12CCCCC2 ZINC000662255712 431016278 /nfs/dbraw/zinc/01/62/78/431016278.db2.gz DPZQMHRLBWTBNX-GVDBMIGSSA-N 2 0 322.493 2.567 20 0 DFADRP Cc1cc2c(c(C)c1)[C@H]([NH2+][C@H](C)CCN1CC[NH+](C)CC1)CC2 ZINC000655756949 431118124 /nfs/dbraw/zinc/11/81/24/431118124.db2.gz LQHCIHJAMANOOE-IEBWSBKVSA-N 2 0 315.505 2.906 20 0 DFADRP CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)[C@@H]1CCCCCC[C@H]1[NH3+] ZINC000649341722 431070859 /nfs/dbraw/zinc/07/08/59/431070859.db2.gz SRDIMVANPHASCA-GVDBMIGSSA-N 2 0 309.498 2.617 20 0 DFADRP C[NH+](C)[C@H](CNC(=O)C1([NH3+])CCCCC1)c1ccc(Cl)cc1 ZINC000649346363 431071019 /nfs/dbraw/zinc/07/10/19/431071019.db2.gz BLWFRRLUPZTOFI-OAHLLOKOSA-N 2 0 323.868 2.721 20 0 DFADRP C[NH+](C)[C@@H](CNC(=O)C1([NH3+])CCCCC1)c1ccc(Cl)cc1 ZINC000649346362 431071389 /nfs/dbraw/zinc/07/13/89/431071389.db2.gz BLWFRRLUPZTOFI-HNNXBMFYSA-N 2 0 323.868 2.721 20 0 DFADRP CC(C)C[C@H](C[NH3+])CC(=O)NC1CC[NH+](CC2CCCC2)CC1 ZINC000662423753 431077616 /nfs/dbraw/zinc/07/76/16/431077616.db2.gz QUPYIMMORURXTL-KRWDZBQOSA-N 2 0 323.525 2.768 20 0 DFADRP Cc1cc2c(c(C)c1)[C@@H]([NH2+]CCCC[NH+]1CCOCC1)CC2 ZINC000655691658 431084546 /nfs/dbraw/zinc/08/45/46/431084546.db2.gz DOLBHOYQVPGLHL-SFHVURJKSA-N 2 0 302.462 2.993 20 0 DFADRP Cc1ccccc1CN1CCC[N@H+](CCC2CC[NH2+]CC2)CC1 ZINC000649411588 431092577 /nfs/dbraw/zinc/09/25/77/431092577.db2.gz JDAYMPXAVWMDGP-UHFFFAOYSA-N 2 0 315.505 2.892 20 0 DFADRP CN(Cc1ccccc1)[C@@H]1CC[N@H+](CCC2CC[NH2+]CC2)C1 ZINC000649413891 431092896 /nfs/dbraw/zinc/09/28/96/431092896.db2.gz PUNWKKWCCNCJLL-LJQANCHMSA-N 2 0 301.478 2.582 20 0 DFADRP Cc1cc(C)n(C[C@@H]2CCCC[N@@H+]2CCC2CC[NH2+]CC2)n1 ZINC000649413094 431092971 /nfs/dbraw/zinc/09/29/71/431092971.db2.gz LGKPHXHTWATAQG-SFHVURJKSA-N 2 0 304.482 2.744 20 0 DFADRP Cc1cc2c(c(C)c1)[C@@H]([NH2+][C@@H](C)CN1CC[NH+](C)CC1)CC2 ZINC000655711201 431093725 /nfs/dbraw/zinc/09/37/25/431093725.db2.gz GISDXNVTHFZISB-WMZOPIPTSA-N 2 0 301.478 2.516 20 0 DFADRP CCc1cc(CCC[N@H+](C)C[C@H]2CCc3nccn3C2)on1 ZINC000649460613 431108317 /nfs/dbraw/zinc/10/83/17/431108317.db2.gz AYEJRPAMXZYUMS-CQSZACIVSA-N 2 0 302.422 2.561 20 0 DFADRP CO[C@@H](Cc1ccccc1)C[N@H+](C)C[C@@H]1CCc2nccn2C1 ZINC000649460710 431108491 /nfs/dbraw/zinc/10/84/91/431108491.db2.gz VRKRJYMDWOYUPH-ROUUACIJSA-N 2 0 313.445 2.635 20 0 DFADRP CC(C)C[C@@H]([NH2+]C[C@H](C)CN1CC[NH+](C)CC1)c1ccccn1 ZINC000120813034 279002153 /nfs/dbraw/zinc/00/21/53/279002153.db2.gz DIGUTVQWBQQLOA-PKOBYXMFSA-N 2 0 318.509 2.642 20 0 DFADRP Cc1cncc([C@@H](C)[NH2+]CCCC[NH+]2C[C@@H](C)O[C@H](C)C2)c1 ZINC000184325346 279025832 /nfs/dbraw/zinc/02/58/32/279025832.db2.gz JYERLNJRTNSYEV-BRWVUGGUSA-N 2 0 305.466 2.930 20 0 DFADRP C[C@H](C(=O)NC[C@@H]1CC[N@@H+](C(C)(C)C)C1)[C@@H]([NH3+])c1ccccc1 ZINC000662594082 431127981 /nfs/dbraw/zinc/12/79/81/431127981.db2.gz RJIMPXPNYQARDD-YQQAZPJKSA-N 2 0 317.477 2.559 20 0 DFADRP CC[NH+](CC)CCC[N@H+](C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000372803492 279092887 /nfs/dbraw/zinc/09/28/87/279092887.db2.gz DAMHSVSDPJLHMK-UHFFFAOYSA-N 3 0 318.509 2.962 20 0 DFADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+][C@H]1CCc2nc(C(C)(C)C)cn2C1 ZINC000360942391 288105632 /nfs/dbraw/zinc/10/56/32/288105632.db2.gz OWCQHUHOUHXSNJ-WCVJEAGWSA-N 2 0 318.509 2.814 20 0 DFADRP CC[NH+](CC)Cc1ccc(C(=O)N2CCC[N@H+](CC)CC2)cc1 ZINC000263762717 279136468 /nfs/dbraw/zinc/13/64/68/279136468.db2.gz ZGOHMIAWVZJOLV-UHFFFAOYSA-N 2 0 317.477 2.696 20 0 DFADRP CC[NH+](CC)Cc1cccc(C[NH2+][C@@H](C)C(=O)NCC(C)C)c1 ZINC000079307434 279137761 /nfs/dbraw/zinc/13/77/61/279137761.db2.gz HMLNRWQKMWFXGF-INIZCTEOSA-N 2 0 319.493 2.779 20 0 DFADRP CC[NH+](CC)Cc1cccc(C[NH2+][C@H](C)C(=O)NC(C)(C)C)c1 ZINC000079307426 279138332 /nfs/dbraw/zinc/13/83/32/279138332.db2.gz KBXAZEURGOVIHH-OAHLLOKOSA-N 2 0 319.493 2.921 20 0 DFADRP CC[NH+](CC)[C@@H](C(=O)NC[C@H]1CCC[N@@H+]1CC)c1ccccc1 ZINC000104832260 279141464 /nfs/dbraw/zinc/14/14/64/279141464.db2.gz DCCRYVVQHDAINL-QZTJIDSGSA-N 2 0 317.477 2.670 20 0 DFADRP CC[NH+](CC)[C@H](C(=O)N1CCC[C@@H]([NH+](C)C)C1)c1ccccc1 ZINC000358557592 279153113 /nfs/dbraw/zinc/15/31/13/279153113.db2.gz FFZJREOURMLOJH-MSOLQXFVSA-N 2 0 317.477 2.622 20 0 DFADRP C[C@H](C(=O)N[C@@H]1CC[NH+](CC2CCCC2)C1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000253550192 279229671 /nfs/dbraw/zinc/22/96/71/279229671.db2.gz OAWMSBUWOXVCNZ-KYHPRHEASA-N 2 0 321.509 2.628 20 0 DFADRP C[C@H](C(=O)N[C@H]1CC[NH+](CC2CCCC2)C1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000253550191 279233237 /nfs/dbraw/zinc/23/32/37/279233237.db2.gz OAWMSBUWOXVCNZ-HPFXQQBRSA-N 2 0 321.509 2.628 20 0 DFADRP C[C@H](CN[C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C)C[NH+](C)C ZINC000293351967 279350013 /nfs/dbraw/zinc/35/00/13/279350013.db2.gz HACBNOZELXMTAF-ZHALLVOQSA-N 2 0 303.494 2.684 20 0 DFADRP C[C@H](C[NH2+][C@@H]1C[C@@H](c2ccccc2)C1(C)C)N1CC[NH+](C)CC1 ZINC000248657540 279350656 /nfs/dbraw/zinc/35/06/56/279350656.db2.gz XJCGRNUQHNFQKY-NZSAHSFTSA-N 2 0 315.505 2.794 20 0 DFADRP CC[C@H](CC(F)F)C[NH+]1CCC(C[NH+]2CCOCC2)CC1 ZINC000659846439 431143479 /nfs/dbraw/zinc/14/34/79/431143479.db2.gz UUFHIMMDAQOIBY-CQSZACIVSA-N 2 0 304.425 2.712 20 0 DFADRP CC[NH+]1CCN(CCC[NH2+][C@H]2CC(C)(C)Cc3occc32)CC1 ZINC000154256385 279357184 /nfs/dbraw/zinc/35/71/84/279357184.db2.gz OLFDJSRKMHBOAX-KRWDZBQOSA-N 2 0 319.493 2.910 20 0 DFADRP C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)[C@@H]([NH3+])CC1CCCCC1 ZINC000662695238 431164997 /nfs/dbraw/zinc/16/49/97/431164997.db2.gz XYWMEQRMTYNMIL-RDJZCZTQSA-N 2 0 309.498 2.521 20 0 DFADRP CC(C)[C@H]([NH3+])CC(=O)NC[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000646071434 431168210 /nfs/dbraw/zinc/16/82/10/431168210.db2.gz HQBHNMSNWYXUNT-VBQJREDUSA-N 2 0 323.506 2.621 20 0 DFADRP C[C@@H]([NH2+][C@H]1CCN(c2ccc(F)cc2)C1)C1CC[NH+](C)CC1 ZINC000666269204 431169900 /nfs/dbraw/zinc/16/99/00/431169900.db2.gz JJEBWHLGNAIHCJ-PBHICJAKSA-N 2 0 305.441 2.724 20 0 DFADRP C[NH+](C)[C@H]1C[C@@H](C[NH2+]Cc2ccc3c(c2)OCCCCO3)C1 ZINC000655824791 431171898 /nfs/dbraw/zinc/17/18/98/431171898.db2.gz PTJIQMSQMMPXOW-IYBDPMFKSA-N 2 0 304.434 2.668 20 0 DFADRP CC[C@H]1CN(C[C@@H]2CCC[N@@H+]2C)CC[NH+]1Cc1ccccc1 ZINC000649586103 431175919 /nfs/dbraw/zinc/17/59/19/431175919.db2.gz SBDCNGUQKXQYTB-OALUTQOASA-N 2 0 301.478 2.677 20 0 DFADRP CC[C@@H](CC(F)F)C[NH+]1CCN(C[C@H]2CCCC[N@@H+]2C)CC1 ZINC000659908407 431183213 /nfs/dbraw/zinc/18/32/13/431183213.db2.gz FGMXIVFEQAISKR-JKSUJKDBSA-N 2 0 317.468 2.770 20 0 DFADRP CO[C@H](C[N@@H+]1CCC[C@H](C[NH+]2CCCC[C@H]2C)C1)[C@H]1CCOC1 ZINC000659928711 431193369 /nfs/dbraw/zinc/19/33/69/431193369.db2.gz LQMJBNKHUGAXMK-YDZRNGNQSA-N 2 0 324.509 2.624 20 0 DFADRP CN(CC[N@H+](C)C1CCCCC1)C(=O)c1cccc2c1C[NH2+]C2 ZINC000662788742 431195912 /nfs/dbraw/zinc/19/59/12/431195912.db2.gz SROYPLYXZAZQAE-UHFFFAOYSA-N 2 0 315.461 2.626 20 0 DFADRP C[C@@H]1C[N@H+](Cc2ccccc2)CCCN1C[C@@H]1CCC[NH+]1C ZINC000649539146 431149194 /nfs/dbraw/zinc/14/91/94/431149194.db2.gz LCOQLXHGVWIZBF-MJGOQNOKSA-N 2 0 301.478 2.677 20 0 DFADRP CC[C@H]([NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1)c1ccc2c(c1)OCCO2 ZINC000655805044 431155317 /nfs/dbraw/zinc/15/53/17/431155317.db2.gz AFQXUVBSJPRZIB-IMJJTQAJSA-N 2 0 304.434 2.839 20 0 DFADRP C[C@H]([NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1)c1ccc2c(c1)CCC(=O)N2 ZINC000655806291 431158120 /nfs/dbraw/zinc/15/81/20/431158120.db2.gz UKUANHWWFJPSTH-HEHGZKQESA-N 2 0 301.434 2.562 20 0 DFADRP [NH3+][C@@H]1CCCCCC[C@@H]1C(=O)N[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000662667447 431158318 /nfs/dbraw/zinc/15/83/18/431158318.db2.gz AVKBSQAZZXSEJL-BPQIPLTHSA-N 2 0 321.509 2.807 20 0 DFADRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H](C)[C@@H]2CC2(F)F)[C@@H](C)C1 ZINC000666228926 431158552 /nfs/dbraw/zinc/15/85/52/431158552.db2.gz ZJUKJLKWKADNIC-XGUBFFRZSA-N 2 0 304.425 2.757 20 0 DFADRP CC(C)[NH+]1CCC(N(C)C(=O)C[C@H]2[NH2+]Cc3ccccc32)CC1 ZINC000662673446 431158554 /nfs/dbraw/zinc/15/85/54/431158554.db2.gz KZQIJXCSPJTBDA-GOSISDBHSA-N 2 0 315.461 2.552 20 0 DFADRP C[C@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)CC2([NH3+])CC2)cc1 ZINC000662676167 431158663 /nfs/dbraw/zinc/15/86/63/431158663.db2.gz SPPPUAUNZFDQON-HNNXBMFYSA-N 2 0 315.461 2.559 20 0 DFADRP CC[NH+](CC)[C@H](CNC(=O)[C@H]1[NH2+]CCC1(C)C)c1ccsc1 ZINC000662678849 431159583 /nfs/dbraw/zinc/15/95/83/431159583.db2.gz JYTQJFPHIIFIDA-HUUCEWRRSA-N 2 0 323.506 2.635 20 0 DFADRP C(C[NH+]1CCCC1)OC1CC[NH+](C[C@@H]2CC[C@H]3C[C@H]3C2)CC1 ZINC000659975554 431216461 /nfs/dbraw/zinc/21/64/61/431216461.db2.gz XGTHBWHMKJNPMD-FGTMMUONSA-N 2 0 306.494 2.999 20 0 DFADRP C[C@@H]1C[C@H](C)C[N@@H+](CCN2CC[C@@H](C[NH+](C)CC3CC3)C2)C1 ZINC000659978046 431219377 /nfs/dbraw/zinc/21/93/77/431219377.db2.gz KPNYWIPBDKZFRB-SCTDSRPQSA-N 2 0 307.526 2.628 20 0 DFADRP C[NH+](C)CC[C@@H](N)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000653057041 431248048 /nfs/dbraw/zinc/24/80/48/431248048.db2.gz LGRMGZYHEOBJSH-LLVKDONJSA-N 2 0 323.746 2.576 20 0 DFADRP C[NH+](C)CCNC(=O)C1CC[NH+](C[C@H]2CCCCC2(C)C)CC1 ZINC000660056950 431251079 /nfs/dbraw/zinc/25/10/79/431251079.db2.gz MFHRNLKCYKRQMV-QGZVFWFLSA-N 2 0 323.525 2.593 20 0 DFADRP C[N@@H+](Cc1cccc(C[NH+]2CCCCC2)c1)C[C@H](O)C1CC1 ZINC000663076607 431279395 /nfs/dbraw/zinc/27/93/95/431279395.db2.gz IYZWXUBAEJPFSU-IBGZPJMESA-N 2 0 302.462 2.875 20 0 DFADRP CC(C)[C@H]1[NH2+]CC[C@H]1C(=O)Nc1ccc(C[NH+]2CCCC2)cc1 ZINC000646395072 431293009 /nfs/dbraw/zinc/29/30/09/431293009.db2.gz CFNGFHPNIQKYIO-QZTJIDSGSA-N 2 0 315.461 2.855 20 0 DFADRP Cc1ccccc1CN1CCC[N@@H+](C[C@@H]2CC[NH2+][C@@H](C)C2)CC1 ZINC000666619071 431300363 /nfs/dbraw/zinc/30/03/63/431300363.db2.gz UMVGHZXBOPZPNO-RBUKOAKNSA-N 2 0 315.505 2.891 20 0 DFADRP C[C@]1(C[NH+]2CCC(c3ccc4cccnc4n3)CC2)CC[NH2+]C1 ZINC000656193373 431303144 /nfs/dbraw/zinc/30/31/44/431303144.db2.gz IIZLVUCEQKKGHL-IBGZPJMESA-N 2 0 310.445 2.809 20 0 DFADRP CC[N@H+](CCCNC(=O)CCC1CC[NH2+]CC1)C1CCCCC1 ZINC000653200572 431306300 /nfs/dbraw/zinc/30/63/00/431306300.db2.gz IYHYODBKGZQPMD-UHFFFAOYSA-N 2 0 323.525 2.927 20 0 DFADRP CC[N@H+](CCCNC(=O)[C@@H]1CCC[C@H]1C[NH3+])C1CCCCC1 ZINC000653200712 431307065 /nfs/dbraw/zinc/30/70/65/431307065.db2.gz MYWFPCSOUWDCDW-DOTOQJQBSA-N 2 0 309.498 2.522 20 0 DFADRP CC[N@H+](CCCNC(=O)[C@@H]1CC[NH2+][C@@H]1C(C)C)C1CCCCC1 ZINC000653200517 431307289 /nfs/dbraw/zinc/30/72/89/431307289.db2.gz HAKFIMLOIHJTDC-QZTJIDSGSA-N 2 0 323.525 2.781 20 0 DFADRP CC[N@H+](CCCNC(=O)[C@@H]1CCC[NH2+][C@@H]1C)C1CCCCC1 ZINC000653200761 431307538 /nfs/dbraw/zinc/30/75/38/431307538.db2.gz PBJUMCMHBWQJLH-NVXWUHKLSA-N 2 0 309.498 2.535 20 0 DFADRP C[C@@H]1C[C@@H](C[N@@H+]2CC[C@H](N(C)Cc3ccccc3)C2)CC[NH2+]1 ZINC000666645442 431311316 /nfs/dbraw/zinc/31/13/16/431311316.db2.gz SRCQPNQEQBNZNH-NEWSRXKRSA-N 2 0 301.478 2.581 20 0 DFADRP C[NH2+]Cc1ccccc1CNC(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC000653214302 431316056 /nfs/dbraw/zinc/31/60/56/431316056.db2.gz OWGQNUKBJNXZCZ-SFHVURJKSA-N 2 0 317.477 2.533 20 0 DFADRP CC[NH+](CC)Cc1cccc(NC(=O)[C@@H]2CCC[NH2+]CC2)c1 ZINC000653110775 431270400 /nfs/dbraw/zinc/27/04/00/431270400.db2.gz UGOZPXULIZHOLR-MRXNPFEDSA-N 2 0 303.450 2.857 20 0 DFADRP COC[C@@H]1CCC[NH+]1CCC(C)CC[N@H+]1CCC[C@H]1COC ZINC000663065382 431274723 /nfs/dbraw/zinc/27/47/23/431274723.db2.gz CYOJOEFXAYZXQN-ROUUACIJSA-N 2 0 312.498 2.624 20 0 DFADRP C[C@H]1CCCC[C@@H]1[NH2+]CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000176042067 279656062 /nfs/dbraw/zinc/65/60/62/279656062.db2.gz UTYVVQKTHSEEFR-SZMVWBNQSA-N 2 0 317.477 2.574 20 0 DFADRP Cc1nc(C[NH+]2CCC(CCC[NH+]3CCOCC3)CC2)c(C)o1 ZINC000660232544 431332331 /nfs/dbraw/zinc/33/23/31/431332331.db2.gz KVWIPCZECLHKDZ-UHFFFAOYSA-N 2 0 321.465 2.616 20 0 DFADRP CC[C@@H]([NH3+])C(=O)Nc1ccc(SCC[NH+]2CCCC2)cc1 ZINC000653253290 431335975 /nfs/dbraw/zinc/33/59/75/431335975.db2.gz NXQKQUIWJCSRMJ-OAHLLOKOSA-N 2 0 307.463 2.550 20 0 DFADRP [NH3+]C1(C(=O)Nc2ccc(SCC[NH+]3CCCC3)cc2)CCC1 ZINC000653253539 431336831 /nfs/dbraw/zinc/33/68/31/431336831.db2.gz XAEAIZLTDSWTBC-UHFFFAOYSA-N 2 0 319.474 2.694 20 0 DFADRP CC(C)([NH3+])C(=O)Nc1ccc(SCC[NH+]2CCCC2)cc1 ZINC000653253593 431337381 /nfs/dbraw/zinc/33/73/81/431337381.db2.gz YMZDZKBAOJXVNC-UHFFFAOYSA-N 2 0 307.463 2.550 20 0 DFADRP CCC[C@H]([NH3+])C(=O)Nc1ccc(SCC[NH+]2CCCC2)cc1 ZINC000653252963 431337899 /nfs/dbraw/zinc/33/78/99/431337899.db2.gz APPIGXXUSAVIRG-INIZCTEOSA-N 2 0 321.490 2.940 20 0 DFADRP [NH3+][C@H]1C[C@H](c2nc(-c3cccc(C[NH+]4CCCCC4)c3)no2)C1 ZINC000663250464 431341100 /nfs/dbraw/zinc/34/11/00/431341100.db2.gz GZOHEHQWJQHBQS-WKILWMFISA-N 2 0 312.417 2.927 20 0 DFADRP [NH3+]Cc1cccc(NC(=O)[C@@H]2CCC[N@@H+]2Cc2ccccc2)c1 ZINC000646578894 431346071 /nfs/dbraw/zinc/34/60/71/431346071.db2.gz ITHKGXFBNVWVEK-SFHVURJKSA-N 2 0 309.413 2.748 20 0 DFADRP c1cc(N2CCC([NH2+][C@@H]3CCCN4CCCC[C@@H]34)CC2)cc[nH+]1 ZINC000656278439 431352163 /nfs/dbraw/zinc/35/21/63/431352163.db2.gz REKGKERIFOQDIT-MOPGFXCFSA-N 2 0 314.477 2.657 20 0 DFADRP CN1CC[NH+](CC2(C)CC[NH+](C[C@@H]3CC[C@@H]4C[C@@H]4C3)CC2)CC1 ZINC000660276660 431355229 /nfs/dbraw/zinc/35/52/29/431355229.db2.gz ROMXXAISLMYMNF-QRVBRYPASA-N 2 0 319.537 2.772 20 0 DFADRP CC[C@@H](C)Oc1cc(C[NH2+]CC[C@H]2CC[NH2+]C2)ccc1OC ZINC000666787294 431358283 /nfs/dbraw/zinc/35/82/83/431358283.db2.gz BGMHGMBSCQWJMU-HUUCEWRRSA-N 2 0 306.450 2.962 20 0 DFADRP COc1ccc(-c2nc(C[NH2+]CC[C@@H]3CC[NH2+]C3)cs2)cc1 ZINC000666787377 431359052 /nfs/dbraw/zinc/35/90/52/431359052.db2.gz PADQYFFFQORLFJ-ZDUSSCGKSA-N 2 0 317.458 2.908 20 0 DFADRP Clc1ccccc1Cn1cc(C[NH2+]CC[C@H]2CC[NH2+]C2)cn1 ZINC000666787363 431359614 /nfs/dbraw/zinc/35/96/14/431359614.db2.gz MEFQXWCLZIXXTD-CQSZACIVSA-N 2 0 318.852 2.674 20 0 DFADRP C[NH+](C)[C@@H]1CCC[N@H+](C[C@H]2CCCN(C(=O)C(C)(C)C)C2)CC1 ZINC000660416394 431418605 /nfs/dbraw/zinc/41/86/05/431418605.db2.gz QVMNNFDVXQJOLZ-IAGOWNOFSA-N 2 0 323.525 2.687 20 0 DFADRP COc1cc(C[NH2+][C@H]2CC23CC[NH2+]CC3)c(SC)cc1OC ZINC000666952286 431421948 /nfs/dbraw/zinc/42/19/48/431421948.db2.gz OPUNGIOGFVPFTB-INIZCTEOSA-N 2 0 322.474 2.657 20 0 DFADRP COCC[C@H](Cc1cccc(F)c1)[NH2+][C@H]1CC12CC[NH2+]CC2 ZINC000666954103 431422075 /nfs/dbraw/zinc/42/20/75/431422075.db2.gz PWMAMQOMSPHWRN-SJORKVTESA-N 2 0 306.425 2.505 20 0 DFADRP CCOc1ccc(C[NH2+][C@@H]2CC23CC[NH2+]CC3)cc1OCC ZINC000666952370 431422421 /nfs/dbraw/zinc/42/24/21/431422421.db2.gz TWDNCGSPNUIJRP-QGZVFWFLSA-N 2 0 304.434 2.716 20 0 DFADRP CN(C)c1ccccc1C[NH2+]C[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000663345316 431377743 /nfs/dbraw/zinc/37/77/43/431377743.db2.gz IFTRMZONWCWXSX-KRWDZBQOSA-N 2 0 301.478 2.964 20 0 DFADRP C[C@H](C(=O)Nc1cccc2c1CC[NH2+]C2)[N@H+](C)Cc1ccccc1 ZINC000646735606 431382876 /nfs/dbraw/zinc/38/28/76/431382876.db2.gz HBEKQFICIBMEMV-OAHLLOKOSA-N 2 0 323.440 2.791 20 0 DFADRP C[C@@H](CC(=O)Nc1cccc(Cl)c1)[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000666857858 431386232 /nfs/dbraw/zinc/38/62/32/431386232.db2.gz MULBTHSWHHDXPN-GXTWGEPZSA-N 2 0 309.841 2.789 20 0 DFADRP Cc1cccc(-c2n[nH]cc2C[NH2+][C@@H]2C[C@H]2C2CC[NH2+]CC2)c1 ZINC000666927852 431409928 /nfs/dbraw/zinc/40/99/28/431409928.db2.gz VLWAAKKSIOKAFF-ZWKOTPCHSA-N 2 0 310.445 2.863 20 0 DFADRP c1cn(-c2csc(C[NH2+][C@@H]3CC[NH2+]C4(CCC4)C3)c2)cn1 ZINC000666997061 431437613 /nfs/dbraw/zinc/43/76/13/431437613.db2.gz UUGFLFIXFRUWML-CYBMUJFWSA-N 2 0 302.447 2.698 20 0 DFADRP COc1ccc(CC[C@@H](C)[NH2+][C@@H]2CC[NH2+]C3(CCC3)C2)cc1O ZINC000666993776 431437641 /nfs/dbraw/zinc/43/76/41/431437641.db2.gz IXXHSTRRXSKJPM-GDBMZVCRSA-N 2 0 318.461 2.986 20 0 DFADRP Cn1cc(-c2ccc(C[NH2+][C@@H]3CC[NH2+]C4(CCC4)C3)s2)cn1 ZINC000666993814 431437665 /nfs/dbraw/zinc/43/76/65/431437665.db2.gz LUJXVBWRGLKNOF-CQSZACIVSA-N 2 0 316.474 2.913 20 0 DFADRP CC[NH2+]Cc1ccccc1NCc1nc2c(s1)C[NH2+]CC2 ZINC000663492596 431442565 /nfs/dbraw/zinc/44/25/65/431442565.db2.gz AHUYBCDYCVHBDE-UHFFFAOYSA-N 2 0 302.447 2.510 20 0 DFADRP CC[C@@H]1CN(C(=O)[C@H](c2ccccc2)[NH+](CC)CC)CC[C@H]1[NH3+] ZINC000647012698 431445293 /nfs/dbraw/zinc/44/52/93/431445293.db2.gz YNYJAIROIXBWDD-NXHRZFHOSA-N 2 0 317.477 2.655 20 0 DFADRP COc1ccc(-c2n[nH]cc2C[NH2+]CC[C@@H]([NH3+])C(C)C)cc1 ZINC000663498601 431446787 /nfs/dbraw/zinc/44/67/87/431446787.db2.gz PZJSNVUTXWUVMY-MRXNPFEDSA-N 2 0 302.422 2.548 20 0 DFADRP C[NH2+]CCCC(=O)N1CCC([NH2+]C[C@H]2CCCC(C)(C)C2)CC1 ZINC000663504377 431447603 /nfs/dbraw/zinc/44/76/03/431447603.db2.gz UUAABIBEGNGTBX-INIZCTEOSA-N 2 0 323.525 2.783 20 0 DFADRP Cc1ccc(CN2CCN(c3nccn3C)CC2)c(Cl)c1 ZINC000653587203 431448018 /nfs/dbraw/zinc/44/80/18/431448018.db2.gz UNGRHVFLACWTLX-UHFFFAOYSA-N 2 0 304.825 2.704 20 0 DFADRP CC[N@H+](CCOc1ccccc1OC)C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000663503007 431448057 /nfs/dbraw/zinc/44/80/57/431448057.db2.gz LIFGQAZLTMGEEU-HZPDHXFCSA-N 2 0 306.450 2.784 20 0 DFADRP Cc1ccc(NC(=O)C[C@H](C)[NH2+]CC[C@@H]([NH3+])C(C)C)c(C)c1 ZINC000663504281 431448357 /nfs/dbraw/zinc/44/83/57/431448357.db2.gz YCBFENGMAGWOQG-JKSUJKDBSA-N 2 0 305.466 2.984 20 0 DFADRP CC[C@H](C)C[C@H](CC)[NH2+]C1CCN(C(=O)CCC[NH2+]C)CC1 ZINC000663506520 431449281 /nfs/dbraw/zinc/44/92/81/431449281.db2.gz SVUUDKLHXIVHRW-HOTGVXAUSA-N 2 0 311.514 2.781 20 0 DFADRP C[NH2+]CCCC(=O)N1CCC([NH2+][C@H](C)CC2CCCC2)CC1 ZINC000663506561 431449422 /nfs/dbraw/zinc/44/94/22/431449422.db2.gz VDEJQBOMJHJIOO-OAHLLOKOSA-N 2 0 309.498 2.535 20 0 DFADRP CC[N@H+](C)C[C@@H](O)CNC1(c2ccc(F)cc2F)CCCC1 ZINC000653606466 431455932 /nfs/dbraw/zinc/45/59/32/431455932.db2.gz LUMQRGYZHKCVOC-AWEZNQCLSA-N 2 0 312.404 2.636 20 0 DFADRP COc1cccc(C[NH+]2CCC([C@@H]3OCCC[C@H]3[NH3+])CC2)c1F ZINC000667042305 431456992 /nfs/dbraw/zinc/45/69/92/431456992.db2.gz ZXIUYGSVFZHAQS-QAPCUYQASA-N 2 0 322.424 2.553 20 0 DFADRP CO[C@@H](C[N@@H+]1CC[C@H](CN(C)Cc2cccnc2)C1)C1CCC1 ZINC000660435781 431428518 /nfs/dbraw/zinc/42/85/18/431428518.db2.gz QNJOJIJXLOMQED-MJGOQNOKSA-N 2 0 317.477 2.650 20 0 DFADRP C[N@@H+]1CC[C@H](NC[C@@H]2CCC[NH+](CC3CC3)C2)[C@@H]2CCC[C@H]21 ZINC000663466066 431430216 /nfs/dbraw/zinc/43/02/16/431430216.db2.gz NTMRVZFCPILBCM-CADBVGFASA-N 2 0 305.510 2.571 20 0 DFADRP COC[C@@H](CC1CCOCC1)[NH2+]C[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000663466045 431430843 /nfs/dbraw/zinc/43/08/43/431430843.db2.gz NIYAZKXSRCSADB-RTBURBONSA-N 2 0 324.509 2.530 20 0 DFADRP COC[C@H](CC1CCOCC1)[NH2+]C[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000663466043 431432404 /nfs/dbraw/zinc/43/24/04/431432404.db2.gz NIYAZKXSRCSADB-OALUTQOASA-N 2 0 324.509 2.530 20 0 DFADRP COC[C@H](Cc1ccccc1)[NH2+]C[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000663468544 431434218 /nfs/dbraw/zinc/43/42/18/431434218.db2.gz MATGOLHQVBCHJI-PMACEKPBSA-N 2 0 316.489 2.956 20 0 DFADRP c1cc2c(cc1C[NH+]1CCC([C@H]3CCC[NH2+]C3)CC1)OCCO2 ZINC000656784475 431520082 /nfs/dbraw/zinc/52/00/82/431520082.db2.gz DLBFEGQEHDHITJ-KRWDZBQOSA-N 2 0 316.445 2.669 20 0 DFADRP Cc1cccn2c(C[N@@H+]3CCC[C@H](C4CC[NH2+]CC4)C3)cnc12 ZINC000656786288 431523794 /nfs/dbraw/zinc/52/37/94/431523794.db2.gz RVWAUBQTLRIJSY-KRWDZBQOSA-N 2 0 312.461 2.854 20 0 DFADRP CCc1ccccc1NC(=O)C[C@H](C)[NH2+]CC1([NH3+])CCCC1 ZINC000656788808 431525981 /nfs/dbraw/zinc/52/59/81/431525981.db2.gz CRMYBHMNIVRPAZ-AWEZNQCLSA-N 2 0 303.450 2.827 20 0 DFADRP C[C@H]1C[C@H](NC[C@@H]2C[NH+](C)C[C@H]2c2ccccc2)C[N@@H+]1C1CC1 ZINC000647248769 431528348 /nfs/dbraw/zinc/52/83/48/431528348.db2.gz BQRMRHRQAUTDKT-NFBUACBFSA-N 2 0 313.489 2.547 20 0 DFADRP CO[C@H]1CCC[C@H]([NH2+]C[C@@H]2C[N@H+](C)C[C@H]2c2ccccc2)C1 ZINC000647249408 431529640 /nfs/dbraw/zinc/52/96/40/431529640.db2.gz YETYQLJDSFKFRX-XWSJACJDSA-N 2 0 302.462 2.879 20 0 DFADRP CC[C@@H](c1ccccc1OC)N(C)C[C@H](O)C[N@H+](C)C(C)C ZINC000660559254 431490557 /nfs/dbraw/zinc/49/05/57/431490557.db2.gz VLIBUOVYKVBQCL-WBVHZDCISA-N 2 0 308.466 2.779 20 0 DFADRP CC[C@@H](c1cccc(OC)c1)N(C)C[C@H](O)C[N@H+](C)C(C)C ZINC000660558415 431491869 /nfs/dbraw/zinc/49/18/69/431491869.db2.gz SOPHBUZPSIMOCX-AEFFLSMTSA-N 2 0 308.466 2.779 20 0 DFADRP C[C@@H]1C[C@H]([NH2+][C@H]2[C@H](C)C[N@@H+](Cc3ccccc3)C[C@@H]2C)CO1 ZINC000647192733 431505387 /nfs/dbraw/zinc/50/53/87/431505387.db2.gz VSUGRVXDYQJPIM-LHHMMCJZSA-N 2 0 302.462 2.910 20 0 DFADRP CC[N@H+](C)C[C@@H]1CCN(Cc2ccc(C(C)C)cc(=O)c2O)C1 ZINC000663829476 431557830 /nfs/dbraw/zinc/55/78/30/431557830.db2.gz RAQUWRJWDHXPOQ-HNNXBMFYSA-N 2 0 318.461 2.649 20 0 DFADRP COc1cc2cc[nH+]c(N3CC[C@H](C[NH+](C)C)C3)c2cc1OC ZINC000663787642 431538989 /nfs/dbraw/zinc/53/89/89/431538989.db2.gz KRDMZXFYFYPLON-CYBMUJFWSA-N 2 0 315.417 2.640 20 0 DFADRP CC[N@@H+]1CC[C@@H]([NH2+]CCc2cn3c(cccc3C)n2)[C@@H](C)C1 ZINC000647365000 431564598 /nfs/dbraw/zinc/56/45/98/431564598.db2.gz VVORENISMLHGEZ-WMLDXEAASA-N 2 0 300.450 2.505 20 0 DFADRP O=C([C@@H]1CCC[N@H+](CCC[NH+]2CCCC2)C1)N1CCCCCC1 ZINC000366896638 280084039 /nfs/dbraw/zinc/08/40/39/280084039.db2.gz QCGUNAZQTXXXAV-GOSISDBHSA-N 2 0 321.509 2.587 20 0 DFADRP C[NH+](C)CCOc1ccc(C[NH2+]Cc2ccc3c[nH+]cn3c2)cc1 ZINC000656985030 431573495 /nfs/dbraw/zinc/57/34/95/431573495.db2.gz JWRMGWGZNMQYEQ-UHFFFAOYSA-N 3 0 324.428 2.565 20 0 DFADRP O=c1[nH]c2ccccc2cc1C[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000647480620 431601254 /nfs/dbraw/zinc/60/12/54/431601254.db2.gz VHMZCPHSIBOVSG-DOTOQJQBSA-N 2 0 311.429 2.904 20 0 DFADRP c1cnn(-c2cccc(C[N@@H+]3CCC[C@@H]([C@@H]4CCC[NH2+]4)C3)c2)c1 ZINC000647480233 431603900 /nfs/dbraw/zinc/60/39/00/431603900.db2.gz HICRTRFWDQYILF-MJGOQNOKSA-N 2 0 310.445 2.836 20 0 DFADRP c1cn(-c2csc(C[N@@H+]3CCC[C@@H]([C@H]4CCC[NH2+]4)C3)c2)cn1 ZINC000647479422 431604156 /nfs/dbraw/zinc/60/41/56/431604156.db2.gz GMNBIJRAWOEXMQ-RHSMWYFYSA-N 2 0 316.474 2.898 20 0 DFADRP Cc1cc(F)ccc1[C@H]1CCCN1C[C@@H](O)C[N@@H+](C)C(C)C ZINC000660753675 431579703 /nfs/dbraw/zinc/57/97/03/431579703.db2.gz KGUSXVFPPUBSGB-FUHWJXTLSA-N 2 0 308.441 2.972 20 0 DFADRP [NH3+][C@@H]1CCO[C@H]([C@H]2CCC[N@H+](C/C=C\c3ccccc3)C2)C1 ZINC000650706570 431652987 /nfs/dbraw/zinc/65/29/87/431652987.db2.gz NPGSOTCCIONIQN-CFQWGYSBSA-N 2 0 300.446 2.918 20 0 DFADRP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCC[N@H+](Cc3cccc(F)c3F)C2)C1 ZINC000650706108 431653081 /nfs/dbraw/zinc/65/30/81/431653081.db2.gz DIBIOVQFJKWPRW-XNRPHZJLSA-N 2 0 310.388 2.683 20 0 DFADRP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCC[N@H+](Cc3csc(C4CC4)n3)C2)C1 ZINC000650707009 431653825 /nfs/dbraw/zinc/65/38/25/431653825.db2.gz WUFNUKZMHGNEMZ-SQWLQELKSA-N 2 0 321.490 2.739 20 0 DFADRP [NH3+][C@@H]1CCO[C@H]([C@H]2CCC[N@H+](Cc3ccc4c(c3)CCC4)C2)C1 ZINC000650706398 431654854 /nfs/dbraw/zinc/65/48/54/431654854.db2.gz JRRLORKYYZXBPK-ZCNNSNEGSA-N 2 0 314.473 2.894 20 0 DFADRP Cc1nc2ccccc2n1CC[NH2+]Cc1ccnn1CC1CC1 ZINC000657297008 431656414 /nfs/dbraw/zinc/65/64/14/431656414.db2.gz ZEIWKJUKLQYEHB-UHFFFAOYSA-N 2 0 309.417 2.741 20 0 DFADRP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCC[N@H+](Cc3cccc4c3CCC4)C2)C1 ZINC000650708923 431657245 /nfs/dbraw/zinc/65/72/45/431657245.db2.gz VNBRNDVDSILXMW-QWFCFKBJSA-N 2 0 314.473 2.894 20 0 DFADRP CCN(CC)[C@@H](C)C[NH2+]C[C@@H]1CCCO[C@H]1c1ccnn1CC ZINC000657301394 431657726 /nfs/dbraw/zinc/65/77/26/431657726.db2.gz CLTLBSVNXFUJPI-XYJFISCASA-N 2 0 322.497 2.691 20 0 DFADRP [NH3+]CC1(CC[NH2+]Cc2ccc(OCC(F)(F)F)cc2)CC1 ZINC000650712598 431658764 /nfs/dbraw/zinc/65/87/64/431658764.db2.gz LPVVTMNYWNCVLG-UHFFFAOYSA-N 2 0 302.340 2.846 20 0 DFADRP CCO[C@@H]1CN(Cc2c(Cl)ccc3cccnc32)C[C@H]1C[NH3+] ZINC000650714624 431659256 /nfs/dbraw/zinc/65/92/56/431659256.db2.gz SOIKUSNAXBLSDG-CZUORRHYSA-N 2 0 319.836 2.684 20 0 DFADRP Nc1ccc(C[NH+]2CCC(C[NH+]3CCCCCC3)CC2)cn1 ZINC000647513864 431610949 /nfs/dbraw/zinc/61/09/49/431610949.db2.gz KWELVRRHCULBPP-UHFFFAOYSA-N 2 0 302.466 2.582 20 0 DFADRP C[C@@H]1C[C@H](C[NH3+])C[N@@H+]1Cc1cnn(Cc2ccccc2Cl)c1 ZINC000647509240 431612252 /nfs/dbraw/zinc/61/22/52/431612252.db2.gz XAWUUMOMMWHIBK-ZIAGYGMSSA-N 2 0 318.852 2.754 20 0 DFADRP Fc1ccc(COC2CC[NH+](C[C@@H]3CCC[NH2+]C3)CC2)cc1 ZINC000647518458 431614608 /nfs/dbraw/zinc/61/46/08/431614608.db2.gz KYHBEWNGIVCMMN-MRXNPFEDSA-N 2 0 306.425 2.806 20 0 DFADRP C[N@H+](Cc1ccccc1)CC(C)(C)CN1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000647533548 431619294 /nfs/dbraw/zinc/61/92/94/431619294.db2.gz UIJQPPTUIJUZAA-RBUKOAKNSA-N 2 0 315.505 2.828 20 0 DFADRP Cc1ccc(-c2nn(C)cc2C[N@@H+]2CCC[C@H](CC[NH3+])C2)o1 ZINC000647535816 431619708 /nfs/dbraw/zinc/61/97/08/431619708.db2.gz RRAWQOKEDRTRIC-CQSZACIVSA-N 2 0 302.422 2.549 20 0 DFADRP c1ccc2c(c1)OCC[C@H]2C[NH+]1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000647542088 431623093 /nfs/dbraw/zinc/62/30/93/431623093.db2.gz UFTKGQJPLQDOJB-IRXDYDNUSA-N 2 0 300.446 2.874 20 0 DFADRP COc1ccc(C[N@@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)cc1O ZINC000647543880 431623824 /nfs/dbraw/zinc/62/38/24/431623824.db2.gz TVUJASFXAAUPAE-JKSUJKDBSA-N 2 0 304.434 2.612 20 0 DFADRP COc1c(O)cccc1C[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647543123 431625184 /nfs/dbraw/zinc/62/51/84/431625184.db2.gz HVNCLXWGSZIZCL-HUUCEWRRSA-N 2 0 304.434 2.612 20 0 DFADRP Cn1cc(C[N@@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)c(C(C)(C)C)n1 ZINC000647543884 431625248 /nfs/dbraw/zinc/62/52/48/431625248.db2.gz TWCGXRYDJPFAPQ-JKSUJKDBSA-N 2 0 318.509 2.929 20 0 DFADRP COc1cc(C)c(C[N@@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)c(C)n1 ZINC000647544196 431625311 /nfs/dbraw/zinc/62/53/11/431625311.db2.gz YBBFBJBZNIDAQR-IRXDYDNUSA-N 2 0 317.477 2.919 20 0 DFADRP COCc1nc(C[N@@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)cs1 ZINC000647543068 431625325 /nfs/dbraw/zinc/62/53/25/431625325.db2.gz HAYJPWSSDFXXOD-ZIAGYGMSSA-N 2 0 309.479 2.501 20 0 DFADRP CC(C)CC[NH+]1CCC(C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)CC1 ZINC000647550495 431629065 /nfs/dbraw/zinc/62/90/65/431629065.db2.gz UKJYYWYBZZZDJX-GBESFXJTSA-N 3 0 307.526 2.722 20 0 DFADRP C[C@@H]1CN(Cc2ccccc2)C[C@H]1[NH2+]Cc1ccc(C[NH3+])cc1 ZINC000647553350 431630251 /nfs/dbraw/zinc/63/02/51/431630251.db2.gz VIGGSXGWKHXHCY-OXQOHEQNSA-N 2 0 309.457 2.755 20 0 DFADRP C[NH2+]Cc1ccccc1C[NH2+]C1CCN(Cc2ccncc2)CC1 ZINC000650719581 431661559 /nfs/dbraw/zinc/66/15/59/431661559.db2.gz VGENOQUXAUCCAQ-UHFFFAOYSA-N 2 0 324.472 2.555 20 0 DFADRP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCCN2Cc2csc(C3CC3)n2)C1 ZINC000650722904 431664432 /nfs/dbraw/zinc/66/44/32/431664432.db2.gz DIPOYHOTCCMGLT-VNQPRFMTSA-N 2 0 321.490 2.881 20 0 DFADRP C[NH2+]Cc1ccccc1C[NH2+]Cc1ccc(N(C)C(C)C)nc1 ZINC000650720687 431665667 /nfs/dbraw/zinc/66/56/67/431665667.db2.gz YOFDTDQHQDZVJO-UHFFFAOYSA-N 2 0 312.461 2.935 20 0 DFADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCC[NH2+]Cc2cnc3n2CCC3)C1 ZINC000657313867 431670431 /nfs/dbraw/zinc/67/04/31/431670431.db2.gz WLQQJASKBBZSGL-IYBDPMFKSA-N 2 0 304.482 2.677 20 0 DFADRP CC[NH+](CC)Cc1cccc(C[NH2+]Cc2cnc3n2CCC3)c1 ZINC000657314721 431671093 /nfs/dbraw/zinc/67/10/93/431671093.db2.gz BQDDSWMYIBOVKN-UHFFFAOYSA-N 2 0 312.461 2.961 20 0 DFADRP c1cc2c(cc[nH+]c2NCC2CC[NH+](C3CCOCC3)CC2)[nH]1 ZINC000664153525 431675060 /nfs/dbraw/zinc/67/50/60/431675060.db2.gz WAMXYCFKIZNLOC-UHFFFAOYSA-N 2 0 314.433 2.866 20 0 DFADRP CCC[N@@H+]1CC[C@@H](C[NH2+]Cc2ccc(O[C@@H](C)COC)cc2)C1 ZINC000657325657 431676461 /nfs/dbraw/zinc/67/64/61/431676461.db2.gz PDTVYHRWMFUWBP-WMZOPIPTSA-N 2 0 320.477 2.922 20 0 DFADRP CC(C)[C@@H]([NH2+]CCC1(C[NH3+])CC1)c1ccc2[nH]c(=O)oc2c1 ZINC000650746278 431678098 /nfs/dbraw/zinc/67/80/98/431678098.db2.gz ZUGAGKBGNBCVNI-OAHLLOKOSA-N 2 0 303.406 2.949 20 0 DFADRP C[NH2+]Cc1ccccc1C[NH2+][C@@H]1CCC[C@H](c2ccnn2C)C1 ZINC000650757423 431683035 /nfs/dbraw/zinc/68/30/35/431683035.db2.gz WXHOPMSWOPXVDC-MAUKXSAKSA-N 2 0 312.461 2.956 20 0 DFADRP CC(C)[N@@H+]1CC[C@@H](C[NH2+]Cc2ccc(O[C@@H]3CCOC3)cc2)C1 ZINC000657336254 431682993 /nfs/dbraw/zinc/68/29/93/431682993.db2.gz ZGZGZGPVFUMTTP-PKOBYXMFSA-N 2 0 318.461 2.674 20 0 DFADRP C[NH2+]Cc1ccccc1C[NH2+][C@H](C)c1ccc(-n2cncn2)cc1 ZINC000650758150 431683301 /nfs/dbraw/zinc/68/33/01/431683301.db2.gz KDSFIBGVHINOAH-OAHLLOKOSA-N 2 0 321.428 2.838 20 0 DFADRP CCCn1nccc1CNCc1ccccc1OCC[NH+](C)C ZINC000657337346 431683728 /nfs/dbraw/zinc/68/37/28/431683728.db2.gz RPKUHKBDPCYTMX-UHFFFAOYSA-N 2 0 316.449 2.523 20 0 DFADRP C[C@@H]1C[C@@H]([NH2+]CCC2CC[NH2+]CC2)CN1Cc1ccccc1 ZINC000650763787 431683898 /nfs/dbraw/zinc/68/38/98/431683898.db2.gz JLRFEZQIDNTGSV-VQIMIIECSA-N 2 0 301.478 2.629 20 0 DFADRP COc1ccc2c(c1)[C@H]([NH2+]CCC1CC[NH2+]CC1)CCCO2 ZINC000650762642 431683955 /nfs/dbraw/zinc/68/39/55/431683955.db2.gz GWOQFNYABRHKFR-QGZVFWFLSA-N 2 0 304.434 2.888 20 0 DFADRP c1ccc(CCOCCC[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000647786552 431684098 /nfs/dbraw/zinc/68/40/98/431684098.db2.gz RKPPOODELFUYQD-GUDVDZBRSA-N 2 0 302.462 2.614 20 0 DFADRP COCC[C@@H](Cc1cccc(F)c1)[NH2+]CCC1CC[NH2+]CC1 ZINC000650763800 431684317 /nfs/dbraw/zinc/68/43/17/431684317.db2.gz JRFVRVWZHKVJFQ-SFHVURJKSA-N 2 0 308.441 2.753 20 0 DFADRP c1cnn(C[C@H]([NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)c2ccccc2)c1 ZINC000647786092 431684449 /nfs/dbraw/zinc/68/44/49/431684449.db2.gz HWLPNLFBOIWRJV-MKXGPGLRSA-N 2 0 310.445 2.602 20 0 DFADRP COc1ccc(C[C@H](C)[NH2+]CCC2CC[NH2+]CC2)c(C)c1OC ZINC000650761964 431684723 /nfs/dbraw/zinc/68/47/23/431684723.db2.gz OLPDIKLYGDZHGL-AWEZNQCLSA-N 2 0 320.477 2.923 20 0 DFADRP Fc1cccc(N2CCC[C@H]([NH2+][C@@H]3CC[C@@H]4C[NH2+]C[C@@H]4C3)C2)c1 ZINC000647786575 431685131 /nfs/dbraw/zinc/68/51/31/431685131.db2.gz SFUQBOSTGZKOBG-ATLSCFEFSA-N 2 0 317.452 2.772 20 0 DFADRP COc1cc(F)c([C@H](C)[NH2+]CCC2CC[NH2+]CC2)cc1OC ZINC000650764174 431685369 /nfs/dbraw/zinc/68/53/69/431685369.db2.gz RPFJVFULRYVTJJ-LBPRGKRZSA-N 2 0 310.413 2.883 20 0 DFADRP C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1[NH2+]CCC1CC[NH2+]CC1 ZINC000650763981 431685512 /nfs/dbraw/zinc/68/55/12/431685512.db2.gz NKYRMZHSUUGYIM-XLIONFOSSA-N 2 0 315.505 2.876 20 0 DFADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCC[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)C1 ZINC000647790098 431686520 /nfs/dbraw/zinc/68/65/20/431686520.db2.gz RIGYDTJIAFMZOF-ZWJWXYIHSA-N 3 0 307.526 2.722 20 0 DFADRP Fc1ccc(OCCCC[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC000647788707 431687278 /nfs/dbraw/zinc/68/72/78/431687278.db2.gz PAMNKLIKUCRRBG-HLLBOEOZSA-N 2 0 306.425 2.962 20 0 DFADRP COc1cc([C@H](C)[NH2+]CCC2CC[NH2+]CC2)cc(OC)c1OC ZINC000650764448 431688454 /nfs/dbraw/zinc/68/84/54/431688454.db2.gz YYJOYQSRVOHKSR-ZDUSSCGKSA-N 2 0 322.449 2.753 20 0 DFADRP Fc1ccc(C2(C[NH2+][C@@H]3CC[C@H]4C[NH2+]C[C@H]4C3)CC2)c(F)c1 ZINC000647794070 431689201 /nfs/dbraw/zinc/68/92/01/431689201.db2.gz QGEZPDAGYMAPPA-GZBFAFLISA-N 2 0 306.400 2.974 20 0 DFADRP CC(C)(C)c1nc(CC[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)cs1 ZINC000647793858 431689585 /nfs/dbraw/zinc/68/95/85/431689585.db2.gz KBDJVQSAYDMWOZ-MELADBBJSA-N 2 0 307.507 2.961 20 0 DFADRP CO[C@H](c1ccccc1F)[C@H](C)[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000647794307 431689902 /nfs/dbraw/zinc/68/99/02/431689902.db2.gz XPJRBBWXJDMEMJ-AIANZEFSSA-N 2 0 306.425 2.879 20 0 DFADRP CCOc1ccc([C@H](COC)[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC000647797026 431691845 /nfs/dbraw/zinc/69/18/45/431691845.db2.gz VHOBWJUQGPBYLG-NTDBWNAOSA-N 2 0 318.461 2.751 20 0 DFADRP CC[C@@H]1C[C@@H]([NH2+]Cc2ccc(OCCC[NH+](C)C)cc2)CO1 ZINC000657352669 431697284 /nfs/dbraw/zinc/69/72/84/431697284.db2.gz KNNJGDXSAUPDKJ-IAGOWNOFSA-N 2 0 306.450 2.674 20 0 DFADRP CC(C)CC[C@@](C)(O)C[NH2+]Cc1ccnn1-c1cc[nH+]cc1 ZINC000657373466 431709076 /nfs/dbraw/zinc/70/90/76/431709076.db2.gz WSJPVKGWSJBARG-QGZVFWFLSA-N 2 0 302.422 2.544 20 0 DFADRP C[C@H]([NH3+])[C@@H]1CN(CCCOc2cccc3ccccc32)CCO1 ZINC000647864354 431710363 /nfs/dbraw/zinc/71/03/63/431710363.db2.gz UVPQAQLOAUZPDK-KXBFYZLASA-N 2 0 314.429 2.657 20 0 DFADRP c1cc(C[NH2+][C@H]2C[C@@H]2Cc2ccccc2)n(-c2cc[nH+]cc2)n1 ZINC000657376298 431710902 /nfs/dbraw/zinc/71/09/02/431710902.db2.gz QERSQEGSHILFRU-LPHOPBHVSA-N 2 0 304.397 2.988 20 0 DFADRP CCc1cnc(CC[NH2+]Cc2ccnn2-c2cc[nH+]cc2)s1 ZINC000657378277 431711741 /nfs/dbraw/zinc/71/17/41/431711741.db2.gz LXHXHNCRYVUAQJ-UHFFFAOYSA-N 2 0 313.430 2.619 20 0 DFADRP C[NH2+]Cc1ccccc1C[NH2+]Cc1cn(C)nc1C(C)(C)C ZINC000650719095 431662357 /nfs/dbraw/zinc/66/23/57/431662357.db2.gz CWIPBNTYKQREFX-UHFFFAOYSA-N 2 0 300.450 2.727 20 0 DFADRP Cc1nnsc1C[NH2+]C1CCN([C@H](C)c2ccncc2)CC1 ZINC000647912012 431725627 /nfs/dbraw/zinc/72/56/27/431725627.db2.gz RZRCNUAZORFHMD-CYBMUJFWSA-N 2 0 317.462 2.557 20 0 DFADRP c1cc(C[NH2+]C[C@@H]2[C@@H]3c4ccccc4C[C@@H]32)n(-c2cc[nH+]cc2)n1 ZINC000657398919 431726642 /nfs/dbraw/zinc/72/66/42/431726642.db2.gz FRVBHYLROHTWNW-HSALFYBXSA-N 2 0 316.408 2.943 20 0 DFADRP CO[C@@](C)(C[N@@H+]1CC[C@@H](n2cnc3c2CCCC3)C1)C1CC1 ZINC000647912545 431726656 /nfs/dbraw/zinc/72/66/56/431726656.db2.gz MSCDZXPURPPAMN-QAPCUYQASA-N 2 0 303.450 2.824 20 0 DFADRP CCO[C@H]1C[C@H]([NH2+]C2CC[NH+](CC(C)(C)O)CC2)C12CCCC2 ZINC000647909442 431727264 /nfs/dbraw/zinc/72/72/64/431727264.db2.gz NVNIRHPOBPSEFK-IRXDYDNUSA-N 2 0 324.509 2.549 20 0 DFADRP C[NH+](C)Cc1cccc(NC(=O)N[C@H]2CC[N@@H+](C(C)(C)C)C2)c1 ZINC000664304693 431729109 /nfs/dbraw/zinc/72/91/09/431729109.db2.gz ILQVVIUFDUFBKY-INIZCTEOSA-N 2 0 318.465 2.743 20 0 DFADRP O[C@@H]1CCCC[C@@H]1CCC[NH2+]Cc1ccnn1-c1cc[nH+]cc1 ZINC000657403009 431730636 /nfs/dbraw/zinc/73/06/36/431730636.db2.gz OJILFIBHKPSMAN-CRAIPNDOSA-N 2 0 314.433 2.688 20 0 DFADRP CC1([NH3+])CC[NH+](CCc2nc(-c3cccc(Cl)c3)no2)CC1 ZINC000647924917 431731875 /nfs/dbraw/zinc/73/18/75/431731875.db2.gz VCKDNFISRZOWFA-UHFFFAOYSA-N 2 0 320.824 2.746 20 0 DFADRP CC(C)(C)[C@@H]1C[C@H]([NH2+]Cc2ccnn2-c2cc[nH+]cc2)CCO1 ZINC000657422002 431740550 /nfs/dbraw/zinc/74/05/50/431740550.db2.gz KXZVULZNLUEHFV-PBHICJAKSA-N 2 0 314.433 2.951 20 0 DFADRP CCCCCn1cc(C[NH2+]Cc2cnc3n2CCC3)c(C)n1 ZINC000657422734 431742124 /nfs/dbraw/zinc/74/21/24/431742124.db2.gz ZQYAUZWHQJHUQD-UHFFFAOYSA-N 2 0 301.438 2.814 20 0 DFADRP C[N@H+](CCc1ccccc1)[C@@H]1CCN(c2ncnc3[nH]ccc32)C1 ZINC000664365237 431752018 /nfs/dbraw/zinc/75/20/18/431752018.db2.gz XQGFFWNZTPGSKU-MRXNPFEDSA-N 2 0 321.428 2.711 20 0 DFADRP Fc1ccc(OC(F)F)c(C[NH2+][C@@H]2CCn3ccnc3C2)c1 ZINC000657440005 431753029 /nfs/dbraw/zinc/75/30/29/431753029.db2.gz JZIKIBFEAYFHTA-GFCCVEGCSA-N 2 0 311.307 2.728 20 0 DFADRP OC[C@@H]([NH2+]Cc1ccc(C[NH+]2CCCCC2)cc1)C1CCC1 ZINC000661155247 431756594 /nfs/dbraw/zinc/75/65/94/431756594.db2.gz SZIIEKBOHWDWSK-LJQANCHMSA-N 2 0 302.462 2.923 20 0 DFADRP CC(C)[NH+]1CCN(CCC[NH+]2CCC(c3ccco3)CC2)CC1 ZINC000661160896 431756985 /nfs/dbraw/zinc/75/69/85/431756985.db2.gz FZFWTWQSOSUGTD-UHFFFAOYSA-N 2 0 319.493 2.875 20 0 DFADRP CC(C)[N@H+](C)C[C@H](O)C[NH2+][C@@H]1CCC[C@@H]1Cc1ccccc1 ZINC000647971998 431760061 /nfs/dbraw/zinc/76/00/61/431760061.db2.gz FSGPIPIQVLUBFW-GUDVDZBRSA-N 2 0 304.478 2.689 20 0 DFADRP CC(C)c1noc([C@H](C)[N@@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)n1 ZINC000647975794 431761109 /nfs/dbraw/zinc/76/11/09/431761109.db2.gz GAMPMTFGFZEAHY-RRFJBIMHSA-N 2 0 306.454 2.966 20 0 DFADRP CCCCNC(=O)[C@@H]1CC[C@@H](C)[N@H+](CCCC2CC[NH2+]CC2)C1 ZINC000647881625 431715271 /nfs/dbraw/zinc/71/52/71/431715271.db2.gz VRLAWSOZAWBMLD-SJLPKXTDSA-N 2 0 323.525 2.783 20 0 DFADRP C[N@H+](CCCC1CC[NH2+]CC1)CC(=O)Nc1cccc(Cl)c1 ZINC000647880318 431715478 /nfs/dbraw/zinc/71/54/78/431715478.db2.gz FWVCTTCLYXAUHH-UHFFFAOYSA-N 2 0 323.868 2.990 20 0 DFADRP CCO[C@@H]1C[C@@H]([NH2+]C2CC[NH+](CC(C)(C)O)CC2)C12CCCC2 ZINC000647909441 431723273 /nfs/dbraw/zinc/72/32/73/431723273.db2.gz NVNIRHPOBPSEFK-IAGOWNOFSA-N 2 0 324.509 2.549 20 0 DFADRP COc1ccc(OCCC[N@@H+]2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)cc1 ZINC000647901739 431723312 /nfs/dbraw/zinc/72/33/12/431723312.db2.gz UOUBRQMOKABDBB-VQIMIIECSA-N 2 0 318.461 2.928 20 0 DFADRP CC(C)n1cc([C@@H]2OCC[C@H]2[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)cn1 ZINC000657509461 431794862 /nfs/dbraw/zinc/79/48/62/431794862.db2.gz GYJUTOYSFGKWRC-XDNAFOTISA-N 2 0 318.465 2.510 20 0 DFADRP C[C@H]([NH2+]CC1CC[NH+](C2CCOCC2)CC1)c1cncc(F)c1 ZINC000657537370 431799777 /nfs/dbraw/zinc/79/97/77/431799777.db2.gz IWHPIFXODMDCPA-AWEZNQCLSA-N 2 0 321.440 2.762 20 0 DFADRP C[C@H](C[NH2+]Cc1ccc(OCC[NH+](C)C)cc1)c1ccccn1 ZINC000657534868 431801032 /nfs/dbraw/zinc/80/10/32/431801032.db2.gz ZQFLSJDAQNHBRZ-MRXNPFEDSA-N 2 0 313.445 2.915 20 0 DFADRP CCc1nc(C[NH2+]CC2CC[NH+](C3CCOCC3)CC2)cs1 ZINC000657536037 431801144 /nfs/dbraw/zinc/80/11/44/431801144.db2.gz WTQSGDQQFYLWTK-UHFFFAOYSA-N 2 0 323.506 2.686 20 0 DFADRP CCCc1cccc(C[N@@H+]2CCOC3(CC[NH+](C)CC3)C2)c1 ZINC000648072323 431809567 /nfs/dbraw/zinc/80/95/67/431809567.db2.gz YIXWIVKUKQVOON-UHFFFAOYSA-N 2 0 302.462 2.936 20 0 DFADRP Cc1cc(F)c(C[NH2+][C@@H](C)CN(C)CCC[NH+](C)C)c(F)c1 ZINC000657573787 431815897 /nfs/dbraw/zinc/81/58/97/431815897.db2.gz UMVRVMXLWKYSKK-AWEZNQCLSA-N 2 0 313.436 2.635 20 0 DFADRP COc1ccc(COCC[N@@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)cc1 ZINC000647986908 431766149 /nfs/dbraw/zinc/76/61/49/431766149.db2.gz PIEQTFYTNOYYKN-ROUUACIJSA-N 2 0 318.461 2.533 20 0 DFADRP C(CC1CC[NH2+]CC1)C[N@@H+]1CCC[C@@H](c2nnc(C3CC3)[nH]2)C1 ZINC000647988441 431766191 /nfs/dbraw/zinc/76/61/91/431766191.db2.gz JXNUGSVZFAPGCB-MRXNPFEDSA-N 2 0 317.481 2.641 20 0 DFADRP CC[C@@H]1C[C@@H]([NH2+]Cc2ccc(OC3CC[NH+](C)CC3)cc2)CO1 ZINC000657460522 431766758 /nfs/dbraw/zinc/76/67/58/431766758.db2.gz ZRDYZJGKYBSVOC-IAGOWNOFSA-N 2 0 318.461 2.817 20 0 DFADRP C(CC1CC[NH2+]CC1)C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000647990875 431767513 /nfs/dbraw/zinc/76/75/13/431767513.db2.gz RCJAJOHVIFMHDF-PKOBYXMFSA-N 3 0 305.510 2.715 20 0 DFADRP c1ccc(C[C@H]2C[N@H+](CCCC3CC[NH2+]CC3)CCO2)cc1 ZINC000647988763 431767603 /nfs/dbraw/zinc/76/76/03/431767603.db2.gz IHKBPCADIXDFIN-IBGZPJMESA-N 2 0 302.462 2.710 20 0 DFADRP C(CC1CC[NH2+]CC1)C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000647990874 431767907 /nfs/dbraw/zinc/76/79/07/431767907.db2.gz RCJAJOHVIFMHDF-MJGOQNOKSA-N 3 0 305.510 2.715 20 0 DFADRP Cc1ccccc1C1([NH2+]C[C@H](O)[C@@H]([NH3+])Cc2ccccc2)CC1 ZINC000647995320 431768625 /nfs/dbraw/zinc/76/86/25/431768625.db2.gz OHDFSETXYYLUFZ-OALUTQOASA-N 2 0 310.441 2.505 20 0 DFADRP CC(C)([NH3+])c1noc(C[N@@H+]2CC[C@@H]([C@@H]3CCCC3(C)C)C2)n1 ZINC000647995261 431769732 /nfs/dbraw/zinc/76/97/32/431769732.db2.gz JSKLASRQWOLCCP-OLZOCXBDSA-N 2 0 306.454 2.912 20 0 DFADRP CO[C@H](C[NH2+]Cc1ccnn1-c1cc[nH+]cc1)Cc1ccccc1 ZINC000657480753 431776006 /nfs/dbraw/zinc/77/60/06/431776006.db2.gz VITVJCKHOBFYHE-IBGZPJMESA-N 2 0 322.412 2.615 20 0 DFADRP CC(C)[C@@H]1C[C@H](C[NH2+]Cc2ccnn2-c2cc[nH+]cc2)CCO1 ZINC000657481794 431777070 /nfs/dbraw/zinc/77/70/70/431777070.db2.gz KQTHKAYXVHKXLA-QAPCUYQASA-N 2 0 314.433 2.808 20 0 DFADRP FC(F)OC1CCC([NH2+]Cc2ccnn2-c2cc[nH+]cc2)CC1 ZINC000657485665 431780528 /nfs/dbraw/zinc/78/05/28/431780528.db2.gz PHFNMTOIQIZVIE-UHFFFAOYSA-N 2 0 322.359 2.907 20 0 DFADRP COC[C@@H](C)Oc1ccc(C[NH2+]CC[C@@H]2CCC[N@H+](C)C2)cc1 ZINC000657492738 431782799 /nfs/dbraw/zinc/78/27/99/431782799.db2.gz ZWIDOQFMZOTPHE-AEFFLSMTSA-N 2 0 320.477 2.922 20 0 DFADRP COCC1CCC([NH2+]Cc2ccnn2-c2cc[nH+]cc2)CC1 ZINC000657494854 431785467 /nfs/dbraw/zinc/78/54/67/431785467.db2.gz IYRUIMUPYJVVAJ-UHFFFAOYSA-N 2 0 300.406 2.562 20 0 DFADRP c1cc(C[NH+]2CCC(C[NH2+][C@@H]3CCCSC3)CC2)ccn1 ZINC000657613945 431825566 /nfs/dbraw/zinc/82/55/66/431825566.db2.gz YDBKGSWAIIJCEM-QGZVFWFLSA-N 2 0 305.491 2.779 20 0 DFADRP c1cc(C[NH2+][C@@H]2C[C@@H](Oc3ccccc3)C2)n(-c2cc[nH+]cc2)n1 ZINC000657647700 431833013 /nfs/dbraw/zinc/83/30/13/431833013.db2.gz OFCDCXZIJORHGK-RHDGDCLCSA-N 2 0 320.396 2.967 20 0 DFADRP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+]C[C@@H]1CCC[C@@H](C)O1 ZINC000657662546 431834525 /nfs/dbraw/zinc/83/45/25/431834525.db2.gz AOYVCACFROEBFM-DYVFJYSZSA-N 2 0 300.406 2.623 20 0 DFADRP Cc1ccc2c(c1)[C@@H]([NH2+]C1CCN(CC[NH+](C)C)CC1)[C@H](C)C2 ZINC000180078154 281091481 /nfs/dbraw/zinc/09/14/81/281091481.db2.gz RXUSROOQZHDMNW-UZLBHIALSA-N 2 0 315.505 2.844 20 0 DFADRP Cc1ccc2c(c1)[C@@H]([NH2+]CCN1CCC([NH+](C)C)CC1)[C@H](C)C2 ZINC000180712450 281091772 /nfs/dbraw/zinc/09/17/72/281091772.db2.gz NLFWJFHAKPMNMG-UZLBHIALSA-N 2 0 315.505 2.844 20 0 DFADRP CC1(C)CC[C@@H](C[NH+]2CCC(OCC[NH+]3CCCC3)CC2)O1 ZINC000184660623 281104495 /nfs/dbraw/zinc/10/44/95/281104495.db2.gz JKCVUYWNTFQENJ-KRWDZBQOSA-N 2 0 310.482 2.521 20 0 DFADRP Cc1cccc2c1CC[C@@H]2[NH2+]C1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000358304384 281269147 /nfs/dbraw/zinc/26/91/47/281269147.db2.gz RWANGIWOKXLHLG-UFYCRDLUSA-N 2 0 314.473 2.950 20 0 DFADRP CCC(C)(C)[NH2+][C@@H](C)C(=O)NC[C@@H](c1cccs1)[NH+](C)C ZINC000273263906 282010642 /nfs/dbraw/zinc/01/06/42/282010642.db2.gz NKSGMPPSACCAOJ-STQMWFEESA-N 2 0 311.495 2.634 20 0 DFADRP CCC(C)(C)[NH2+][C@@H](C)C(=O)N[C@@H](C[NH+](C)C)c1ccc(F)cc1 ZINC000288398152 282011499 /nfs/dbraw/zinc/01/14/99/282011499.db2.gz YOXZSWQTRCSMHL-BBRMVZONSA-N 2 0 323.456 2.711 20 0 DFADRP CCC(C)(C)[NH2+][C@H](C)C(=O)NC[C@H](C)[N@H+](C)Cc1ccccc1 ZINC000356103468 282024154 /nfs/dbraw/zinc/02/41/54/282024154.db2.gz VEDZIPYRAAMDFB-JKSUJKDBSA-N 2 0 319.493 2.790 20 0 DFADRP C[C@@H](C(=O)N1CCC(CCC[NH+](C)C)CC1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000153787973 289060632 /nfs/dbraw/zinc/06/06/32/289060632.db2.gz WRAAFQLGGVWTBY-BBWFWOEESA-N 2 0 323.525 2.828 20 0 DFADRP CC(C)[N@H+](C)CC(=O)NC[C@@H]1CCC[NH+](C)[C@H]1c1cccs1 ZINC000363335388 289078652 /nfs/dbraw/zinc/07/86/52/289078652.db2.gz PLIKQSNIZUPAQK-WMLDXEAASA-N 2 0 323.506 2.587 20 0 DFADRP c1ccc(-c2nnc(CN3C[C@@H]4C[N@@H+]5CCCC[C@@H]5[C@H]4C3)o2)cc1 ZINC000363416364 289092056 /nfs/dbraw/zinc/09/20/56/289092056.db2.gz ZZTPBNNIYWCGQU-IXDOHACOSA-N 2 0 324.428 2.653 20 0 DFADRP C[NH+]1CCC(O)(C[NH2+][C@@H]2CCCC[C@@H]2c2ccccc2)CC1 ZINC000269003506 289888616 /nfs/dbraw/zinc/88/86/16/289888616.db2.gz PWOALCGTZUHLDT-QZTJIDSGSA-N 2 0 302.462 2.759 20 0 DFADRP C[N@H+]1C[C@@H]2C[NH+]([C@@H]3CC(C)(C)Oc4cc(F)ccc43)C[C@@H]2C1 ZINC000367327500 290289542 /nfs/dbraw/zinc/28/95/42/290289542.db2.gz QVKXPXKZIOHANS-DVOMOZLQSA-N 2 0 304.409 2.921 20 0 DFADRP C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)C[C@@H]2CCC[C@H]2[NH3+])C1 ZINC000261765154 290390199 /nfs/dbraw/zinc/39/01/99/290390199.db2.gz NXHJFKRXDKXPBR-XLAORIBOSA-N 2 0 321.509 2.617 20 0 DFADRP CNC(=O)C[C@@H](C)[NH2+]Cc1cccc(C[NH+]2CCC(C)CC2)c1 ZINC000268927108 290444156 /nfs/dbraw/zinc/44/41/56/290444156.db2.gz YDFCDXNHZAQGGP-MRXNPFEDSA-N 2 0 317.477 2.533 20 0 DFADRP C[NH+]1CCC(C)(C[NH2+]Cc2c[nH]nc2-c2ccsc2)CC1 ZINC000436412583 297001976 /nfs/dbraw/zinc/00/19/76/297001976.db2.gz NUNFISQBBZYOTP-UHFFFAOYSA-N 2 0 304.463 2.960 20 0 DFADRP Cn1nccc1[C@@H]1CCC[C@H]([NH2+]CC2(C)CC[NH+](C)CC2)C1 ZINC000363922850 294601497 /nfs/dbraw/zinc/60/14/97/294601497.db2.gz GENOBWCBJZFZJW-CVEARBPZSA-N 2 0 304.482 2.768 20 0 DFADRP Cn1nccc1[C@@H]1CCC[C@H]([NH2+]CCC2CC[NH+](C)CC2)C1 ZINC000376081614 294601551 /nfs/dbraw/zinc/60/15/51/294601551.db2.gz MKFFFZGSVITRKD-SJORKVTESA-N 2 0 304.482 2.768 20 0 DFADRP C[C@@H]1C[C@@H]([NH2+]CCCN2CC[NH+](Cc3ccccc3)CC2)[C@H]1C ZINC000494911195 299888496 /nfs/dbraw/zinc/88/84/96/299888496.db2.gz QCRHWYIPFKEPBO-WSTZPKSXSA-N 2 0 315.505 2.828 20 0 DFADRP C[C@@H]1Cc2ccccc2[C@@H]1[NH2+]CCCC[NH+]1CCN(C)CC1 ZINC000154371756 295298622 /nfs/dbraw/zinc/29/86/22/295298622.db2.gz NEKMRTYIQDZXMS-VQIMIIECSA-N 2 0 301.478 2.537 20 0 DFADRP CN1CC[NH+](CCCC[NH2+][C@@H]2CCCc3sccc32)CC1 ZINC000154409210 295299490 /nfs/dbraw/zinc/29/94/90/295299490.db2.gz DGBXQIRZCGKIEA-MRXNPFEDSA-N 2 0 307.507 2.743 20 0 DFADRP Cc1cc([C@@H](C)[NH2+][C@H](C)CN2CC[NH+](C)CC2)cc(C)c1F ZINC000155137830 295313333 /nfs/dbraw/zinc/31/33/33/295313333.db2.gz GEWYSABAWQLLLN-HZPDHXFCSA-N 2 0 307.457 2.729 20 0 DFADRP CC[NH+]1CCN([C@H](C)C[NH2+][C@H](C)c2ccc(C)c(C)c2)CC1 ZINC000155631454 295322342 /nfs/dbraw/zinc/32/23/42/295322342.db2.gz VDCYRGKLCOJRSV-QZTJIDSGSA-N 2 0 303.494 2.980 20 0 DFADRP CCC(C)(C)[C@@H]1CCC[N@@H+]1CC(=O)NC1CC[NH+](C(C)C)CC1 ZINC000156978833 295343345 /nfs/dbraw/zinc/34/33/45/295343345.db2.gz SPLWATKZUPWQES-KRWDZBQOSA-N 2 0 323.525 2.876 20 0 DFADRP C[C@H]([NH2+]C[C@H]1CCC[N@H+](C)C1)c1cccc(N2CCOC2=O)c1 ZINC000158167761 295359486 /nfs/dbraw/zinc/35/94/86/295359486.db2.gz ATFCVZGTJKZFTK-LSDHHAIUSA-N 2 0 317.433 2.636 20 0 DFADRP COc1ccccc1C[N@H+](C[C@H]1CCCO1)CC1CC[NH2+]CC1 ZINC000178958656 295361556 /nfs/dbraw/zinc/36/15/56/295361556.db2.gz SPSDWUPVZRKLIT-GOSISDBHSA-N 2 0 318.461 2.676 20 0 DFADRP CCC[C@H]([NH2+]C[C@@H](C(C)C)N1CC[NH+](C)CC1)c1ccccn1 ZINC000158589492 295364730 /nfs/dbraw/zinc/36/47/30/295364730.db2.gz ZQXAAMZOXYPKCO-HKUYNNGSSA-N 2 0 318.509 2.784 20 0 DFADRP CCC[C@@H]([NH2+]CCCN1CC[NH+](CC)CC1)c1ccccn1 ZINC000158625248 295365306 /nfs/dbraw/zinc/36/53/06/295365306.db2.gz IGLKZIUTZJBOCD-QGZVFWFLSA-N 2 0 304.482 2.540 20 0 DFADRP CCC[C@@H]([NH2+]CCCN1CCC[N@H+](C)CC1)c1ccccn1 ZINC000159021074 295370938 /nfs/dbraw/zinc/37/09/38/295370938.db2.gz GUHQQFMHJIFKPI-QGZVFWFLSA-N 2 0 304.482 2.540 20 0 DFADRP C[C@@H]1Cc2ccccc2[C@H]1[NH2+][C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000363779690 295443496 /nfs/dbraw/zinc/44/34/96/295443496.db2.gz AYINQAGQQBVCJL-MDYRTPRTSA-N 2 0 313.489 2.678 20 0 DFADRP CC(C)[NH+]1CCN(C2CC[NH+](C[C@H]3CC=CCC3)CC2)CC1 ZINC000370339181 295459944 /nfs/dbraw/zinc/45/99/44/295459944.db2.gz GUDXCLMDPIUTLY-SFHVURJKSA-N 2 0 305.510 2.833 20 0 DFADRP CC1CCC([NH+]2CCC(NC(=O)[C@@H]3CCC[C@@H]([NH3+])C3)CC2)CC1 ZINC000370763790 295462585 /nfs/dbraw/zinc/46/25/85/295462585.db2.gz OWKCYMBXMAOREW-GARNVTTQSA-N 2 0 321.509 2.663 20 0 DFADRP CC(C)CC[C@@H]([NH2+][C@@H]1CCN(C2CC[NH+](C)CC2)C1)C1CC1 ZINC000374701979 295474400 /nfs/dbraw/zinc/47/44/00/295474400.db2.gz MWGBLJRRLBNSKX-IEBWSBKVSA-N 2 0 307.526 2.959 20 0 DFADRP CC[NH+](CC)Cc1ccccc1CNC(=O)[C@@H]1CCC[NH2+][C@H]1C ZINC000395298297 295483153 /nfs/dbraw/zinc/48/31/53/295483153.db2.gz OGWUXEYKXBIATB-MAUKXSAKSA-N 2 0 317.477 2.533 20 0 DFADRP CC1(C)CC[C@@H]1[NH2+]CC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000397492848 295487802 /nfs/dbraw/zinc/48/78/02/295487802.db2.gz MJADPCUOUZPEEQ-KRWDZBQOSA-N 2 0 302.462 2.792 20 0 DFADRP CC(C)[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CCC[NH+]2C2CCCC2)C1 ZINC000438567813 297099005 /nfs/dbraw/zinc/09/90/05/297099005.db2.gz OIZVTBVDGZKFIB-AEFFLSMTSA-N 2 0 321.509 2.630 20 0 DFADRP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)[C@@H]1CCC[NH+]1C1CCCC1 ZINC000438565168 297099117 /nfs/dbraw/zinc/09/91/17/297099117.db2.gz BTJJCDXAAYPDOG-RYRKJORJSA-N 2 0 321.509 2.630 20 0 DFADRP CC[C@@H]1C[NH+](C/C=C/C[N@@H+]2CCCO[C@H](CC)C2)CCCO1 ZINC000439470875 297127159 /nfs/dbraw/zinc/12/71/59/297127159.db2.gz FEFBBCSJGLFIGL-PJHKVULZSA-N 2 0 310.482 2.544 20 0 DFADRP CC(C)C[NH+]1CCC(NC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC000439934749 297141066 /nfs/dbraw/zinc/14/10/66/297141066.db2.gz SGDYYONZWSWZRA-GOSISDBHSA-N 2 0 321.509 2.630 20 0 DFADRP C[C@@H]1CCCC[C@@H]1OCC[N@@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@H]21 ZINC000441245802 297177078 /nfs/dbraw/zinc/17/70/78/297177078.db2.gz NJSDVYRQIFPUMW-MTHXSQLBSA-N 2 0 324.509 2.765 20 0 DFADRP C[N@@H+]1CCN(CC[NH2+][C@H]2CCC[C@@H](C(F)(F)F)C2)CC1(C)C ZINC000441349996 297180392 /nfs/dbraw/zinc/18/03/92/297180392.db2.gz HCULDVDWCIYKKO-KGLIPLIRSA-N 2 0 321.431 2.723 20 0 DFADRP C[C@@H]1C[C@H]1c1ccc(C[NH2+]CCN2CC[N@H+](C)C(C)(C)C2)o1 ZINC000441369673 297181240 /nfs/dbraw/zinc/18/12/40/297181240.db2.gz OACOPHYVEXMYDR-GDBMZVCRSA-N 2 0 305.466 2.519 20 0 DFADRP Cc1c(F)cccc1NC(=O)CC[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000442765679 297205050 /nfs/dbraw/zinc/20/50/50/297205050.db2.gz IKQQSNXGVFGVSN-YIONKMFJSA-N 2 0 319.424 2.678 20 0 DFADRP OC[C@H]1CCC[N@@H+]1CCCC[NH2+]C1CCC(C(F)F)CC1 ZINC000442783760 297205922 /nfs/dbraw/zinc/20/59/22/297205922.db2.gz RXXFTAGSHDVQND-YMAMQOFZSA-N 2 0 304.425 2.637 20 0 DFADRP CC[C@H]([NH2+]CCN1CC[N@H+](C)C(C)(C)C1)c1cccc(OC)c1 ZINC000442860746 297208540 /nfs/dbraw/zinc/20/85/40/297208540.db2.gz CNRAKPPXYOHFLW-SFHVURJKSA-N 2 0 319.493 2.762 20 0 DFADRP COc1cc2c(c(C[N@@H+]3CCC[C@H](CC[NH3+])C3)c1)O[C@H](C)C2 ZINC000442922971 297211137 /nfs/dbraw/zinc/21/11/37/297211137.db2.gz LRTNAJXYKYWLPG-ZIAGYGMSSA-N 2 0 304.434 2.579 20 0 DFADRP COc1cc2c(c(C[N@@H+]3CCC[C@@H](CC[NH3+])C3)c1)O[C@@H](C)C2 ZINC000442922965 297211274 /nfs/dbraw/zinc/21/12/74/297211274.db2.gz LRTNAJXYKYWLPG-KBPBESRZSA-N 2 0 304.434 2.579 20 0 DFADRP Cc1ccc(NC(=O)[C@@H](C)[N@@H+]2CCC[C@H](CC[NH3+])C2)cc1F ZINC000443058040 297213950 /nfs/dbraw/zinc/21/39/50/297213950.db2.gz IXIFSAWEKGQDTP-ZIAGYGMSSA-N 2 0 307.413 2.522 20 0 DFADRP Cc1cccc(C)c1NC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000443058454 297214100 /nfs/dbraw/zinc/21/41/00/297214100.db2.gz AFGGYCNMKFNOCS-CVEARBPZSA-N 2 0 303.450 2.691 20 0 DFADRP CC1CCC(N(C(=O)C[N@@H+]2CCC[C@@H](CC[NH3+])C2)C2CC2)CC1 ZINC000443059037 297214108 /nfs/dbraw/zinc/21/41/08/297214108.db2.gz LQDDYMHGTVJBEZ-CGZBRXJRSA-N 2 0 321.509 2.617 20 0 DFADRP CSc1cccc(NC(=O)[C@H](C)[N@@H+]2CCC[C@@H](CC[NH3+])C2)c1 ZINC000443063099 297214394 /nfs/dbraw/zinc/21/43/94/297214394.db2.gz VVALHKWDBHDXMJ-KBPBESRZSA-N 2 0 321.490 2.796 20 0 DFADRP C[C@@H](NC(=O)C[N@@H+]1CCC[C@@H](CC[NH3+])C1)c1ccc(Cl)cc1 ZINC000443063430 297214427 /nfs/dbraw/zinc/21/44/27/297214427.db2.gz WOWROYZZXFWDGU-KGLIPLIRSA-N 2 0 323.868 2.578 20 0 DFADRP CC[C@@H]1CCCC[C@@H]1[N@H+](C)CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000444659198 297243795 /nfs/dbraw/zinc/24/37/95/297243795.db2.gz CNLTWHRKPNTWPT-QAPCUYQASA-N 2 0 321.509 2.630 20 0 DFADRP CCc1ccccc1C[N@@H+]1CCN(C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000445805325 297267168 /nfs/dbraw/zinc/26/71/68/297267168.db2.gz JKIBWOGBBFIAHW-KRWDZBQOSA-N 2 0 315.505 2.849 20 0 DFADRP CC(C)n1ccc(C[C@H](C)[NH2+]CC2CC[NH+](C3CC3)CC2)n1 ZINC000446883360 297289350 /nfs/dbraw/zinc/28/93/50/297289350.db2.gz GKUWUCWWEKZJIM-HNNXBMFYSA-N 2 0 304.482 2.859 20 0 DFADRP CCc1nn(C)c(CC)c1C[NH2+]CC1CC[NH+](C2CC2)CC1 ZINC000446885135 297289372 /nfs/dbraw/zinc/28/93/72/297289372.db2.gz UGBALMBPAIAYTD-UHFFFAOYSA-N 2 0 304.482 2.509 20 0 DFADRP C[NH+](CC(O)C[N@@H+](C)C[C@H]1CC=CCC1)C[C@H]1CC=CCC1 ZINC000447302073 297299879 /nfs/dbraw/zinc/29/98/79/297299879.db2.gz OHPXUUDSOFCCOO-ROUUACIJSA-N 2 0 306.494 2.924 20 0 DFADRP C[C@@H](O)C[N@H+](C)C1CC[NH+](CC[C@H](C)c2ccccc2)CC1 ZINC000447736634 297315053 /nfs/dbraw/zinc/31/50/53/297315053.db2.gz OANNERPSCWQLAY-DLBZAZTESA-N 2 0 304.478 2.957 20 0 DFADRP C[C@@H]1CN(CC[NH+]2CCCCC2)CC[N@H+](Cc2ccccc2)C1 ZINC000448552085 297342588 /nfs/dbraw/zinc/34/25/88/297342588.db2.gz LIAYEMRYGMQETQ-LJQANCHMSA-N 2 0 315.505 2.926 20 0 DFADRP Cc1cccc(CC[N@@H+](C)CC2CC[NH+](C[C@@H](C)O)CC2)c1 ZINC000449024840 297393246 /nfs/dbraw/zinc/39/32/46/297393246.db2.gz FHOAZFBICFYIFN-QGZVFWFLSA-N 2 0 304.478 2.562 20 0 DFADRP C[NH2+][C@@H](CC(C)(C)C)C(=O)NC[C@@H](c1cccc(F)c1)[NH+](C)C ZINC000449064602 297399280 /nfs/dbraw/zinc/39/92/80/297399280.db2.gz VHVOKNAFFCJTNC-HOTGVXAUSA-N 2 0 323.456 2.569 20 0 DFADRP CCC[NH2+][C@@H](C)C(=O)NCc1ccccc1C[NH+]1CCCCC1 ZINC000449072497 297400539 /nfs/dbraw/zinc/40/05/39/297400539.db2.gz PULYAKALTPEFKP-INIZCTEOSA-N 2 0 317.477 2.677 20 0 DFADRP CC[C@@H]([NH2+]Cc1ccc(N2CC[NH+](C)CC2)nc1)C1CCC1 ZINC000449078530 297401793 /nfs/dbraw/zinc/40/17/93/297401793.db2.gz YHBNLTFQUQMLAT-QGZVFWFLSA-N 2 0 302.466 2.502 20 0 DFADRP C[C@H](Cc1ccoc1)[NH2+]Cc1cccc(OCC[NH+](C)C)c1 ZINC000449091363 297403638 /nfs/dbraw/zinc/40/36/38/297403638.db2.gz QBIWNVAEIMMNHI-OAHLLOKOSA-N 2 0 302.418 2.941 20 0 DFADRP COC[C@@H](C)C[NH2+]C1CC[NH+]([C@H](C)Cc2ccccc2)CC1 ZINC000449104821 297406356 /nfs/dbraw/zinc/40/63/56/297406356.db2.gz GMFRFDCFSHQACM-DLBZAZTESA-N 2 0 304.478 2.954 20 0 DFADRP C[C@@H]([NH3+])c1ccc(NC(=O)[C@]2(c3ccccc3)CC[NH2+]C2)cc1 ZINC000449130098 297410077 /nfs/dbraw/zinc/41/00/77/297410077.db2.gz XKKKRUDCFBEGRR-AUUYWEPGSA-N 2 0 309.413 2.576 20 0 DFADRP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+]C[C@H]2CCC[C@H]2O)CC1 ZINC000449179165 297418260 /nfs/dbraw/zinc/41/82/60/297418260.db2.gz ZBZQLDKSUBXOMT-YVWKXTFCSA-N 2 0 316.489 2.833 20 0 DFADRP C[C@@H]1CC[C@@H](C)[C@H]([NH2+]Cc2ccncc2OCC[NH+](C)C)C1 ZINC000449330060 297447379 /nfs/dbraw/zinc/44/73/79/297447379.db2.gz RLDYZLWWDRKEHN-BFYDXBDKSA-N 2 0 305.466 2.936 20 0 DFADRP CC(C)CC[NH+]1CCC(CNC(=O)C[C@H]2CCCC[C@@H]2[NH3+])CC1 ZINC000449362693 297453842 /nfs/dbraw/zinc/45/38/42/297453842.db2.gz MAKNDGNZDCOTLR-MSOLQXFVSA-N 2 0 323.525 2.768 20 0 DFADRP CC[NH+]1CCN(c2ccccc2C[NH2+]C[C@](C)(CC)OC)CC1 ZINC000449479102 297476242 /nfs/dbraw/zinc/47/62/42/297476242.db2.gz UDMRZJQDKPJUCA-IBGZPJMESA-N 2 0 319.493 2.733 20 0 DFADRP CCc1ccc(C[NH2+]C(C)(C)CN2CC[NH+](CC)CC2)cc1 ZINC000449748206 297526147 /nfs/dbraw/zinc/52/61/47/297526147.db2.gz AXEJMNNTMFEVBK-UHFFFAOYSA-N 2 0 303.494 2.755 20 0 DFADRP CCCc1ccc2[nH+]ccc(N3CC[NH+](CCCO)CC3)c2c1 ZINC000450294597 297608106 /nfs/dbraw/zinc/60/81/06/297608106.db2.gz PKRVKNHKTPYOEE-UHFFFAOYSA-N 2 0 313.445 2.692 20 0 DFADRP CCC[C@@H]([NH2+]CC(=O)NC1CC[NH+](C2CC2)CC1)C(C)(C)C ZINC000451430683 297807756 /nfs/dbraw/zinc/80/77/56/297807756.db2.gz DHUFENANAXFFLI-MRXNPFEDSA-N 2 0 309.498 2.534 20 0 DFADRP Cn1nccc1CN[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H]2CCC[C@H]21 ZINC000453074360 298059759 /nfs/dbraw/zinc/05/97/59/298059759.db2.gz HMJPIOCYLLDGIQ-XUVXKRRUSA-N 2 0 324.472 2.953 20 0 DFADRP OC[C@@H]1CCC[N@@H+]1CCCC[NH2+]C1CCc2ccccc2CC1 ZINC000453122612 298065294 /nfs/dbraw/zinc/06/52/94/298065294.db2.gz YDDWYATXOJQPRI-FQEVSTJZSA-N 2 0 316.489 2.761 20 0 DFADRP CC(C)OCCOC1CC[NH+](C2CC[NH+](C(C)C)CC2)CC1 ZINC000453349730 298086146 /nfs/dbraw/zinc/08/61/46/298086146.db2.gz HMFMZQNERMUUQZ-UHFFFAOYSA-N 2 0 312.498 2.765 20 0 DFADRP C[N@@H+]1CC[C@H]([NH2+][C@@H]2CCO[C@@H](c3ccccn3)C2)[C@H]2CCC[C@H]21 ZINC000453378611 298088050 /nfs/dbraw/zinc/08/80/50/298088050.db2.gz KKXJWYUIRMOFJS-WCWVYFQPSA-N 2 0 315.461 2.764 20 0 DFADRP Cc1cnc(CC[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)cn1 ZINC000453418526 298092913 /nfs/dbraw/zinc/09/29/13/298092913.db2.gz YHJYMQGJNALVNE-OXJNMPFZSA-N 2 0 324.472 2.828 20 0 DFADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]CCc2ccc(C)cn2)[C@@H](C)C1 ZINC000453439150 298095663 /nfs/dbraw/zinc/09/56/63/298095663.db2.gz VWAKJFRWCRNQEN-HKUYNNGSSA-N 2 0 319.493 2.659 20 0 DFADRP CC(C)[C@@H](C(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C)[NH+](C)C ZINC000456275904 298485167 /nfs/dbraw/zinc/48/51/67/298485167.db2.gz NHAQMRAEWULOTP-IRXDYDNUSA-N 2 0 303.450 2.760 20 0 DFADRP CCC[C@H](C(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C)[NH+](C)C ZINC000456283362 298486954 /nfs/dbraw/zinc/48/69/54/298486954.db2.gz SQJVQNSMPIFZOB-IAGOWNOFSA-N 2 0 303.450 2.904 20 0 DFADRP C[C@H](C[NH+]1CCCCCC1)NC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC000359322118 298585846 /nfs/dbraw/zinc/58/58/46/298585846.db2.gz NCCPRPCLPVDCMR-IAGOWNOFSA-N 2 0 309.498 2.632 20 0 DFADRP CCCC[C@@H](COC)[NH2+]C[C@@H]1CCCN(C)[C@H]1c1ccnn1C ZINC000496932384 300135157 /nfs/dbraw/zinc/13/51/57/300135157.db2.gz JWYZGRCUIHPPAP-XYJFISCASA-N 2 0 322.497 2.598 20 0 DFADRP CC(C)CC[NH+]1CCC(CNC(=O)[C@@H]2CCCC[C@]2(C)[NH3+])CC1 ZINC000498198616 300194511 /nfs/dbraw/zinc/19/45/11/300194511.db2.gz RMJDZAIAXJAGHC-HKUYNNGSSA-N 2 0 323.525 2.768 20 0 DFADRP COC(=O)[C@@H]1C[C@@H](C2CCCCC2)CN1CC[C@H]1CCC[N@@H+]1C ZINC000502903418 300218791 /nfs/dbraw/zinc/21/87/91/300218791.db2.gz DEIXDRGWTAFPAC-KURKYZTESA-N 2 0 322.493 2.915 20 0 DFADRP CC(C)[NH+]1CCN(c2cccc(N[C@H]3C[N@H+](C)C[C@H]3C)c2)CC1 ZINC000503269217 300219552 /nfs/dbraw/zinc/21/95/52/300219552.db2.gz YJPXWFOTYNNHKC-APWZRJJASA-N 2 0 316.493 2.579 20 0 DFADRP CC[C@H](C[N@@H+]1CC[C@@H](N2CC[NH+](CC)CC2)C1)c1ccccc1 ZINC000513479640 300258067 /nfs/dbraw/zinc/25/80/67/300258067.db2.gz PBWMXQVBKHZLSC-UYAOXDASSA-N 2 0 315.505 2.892 20 0 DFADRP Cc1ccc(C[NH+]2CC[C@@H](C[N@H+](C)C[C@@H]3CCOC3)C2)s1 ZINC000515018986 300284943 /nfs/dbraw/zinc/28/49/43/300284943.db2.gz NJFXXFOTQOEVGT-HOTGVXAUSA-N 2 0 308.491 2.847 20 0 DFADRP C[NH+]1CCN(c2cc[nH+]cc2NCC2Cc3ccccc3C2)CC1 ZINC000515260753 300297305 /nfs/dbraw/zinc/29/73/05/300297305.db2.gz WAKFQTKRIFTIPU-UHFFFAOYSA-N 2 0 322.456 2.660 20 0 DFADRP Cc1ccc(C[N@H+]2CC[C@@H](CN(C)Cc3nccn3C)C2)s1 ZINC000515465729 300308631 /nfs/dbraw/zinc/30/86/31/300308631.db2.gz KLQRIFFLYYWOMR-HNNXBMFYSA-N 2 0 318.490 2.744 20 0 DFADRP C[C@@H](C[NH2+]C[C@@H](O)Cc1cccc(Cl)c1)C[NH+]1CCCC1 ZINC000516048462 300327537 /nfs/dbraw/zinc/32/75/37/300327537.db2.gz HGGBZWYKTYGQJK-YOEHRIQHSA-N 2 0 310.869 2.565 20 0 DFADRP C[C@H](C[NH2+]C[C@H](O)Cc1cccc(Cl)c1)C[NH+]1CCCCC1 ZINC000516275109 300337823 /nfs/dbraw/zinc/33/78/23/300337823.db2.gz GYPGXYDXNRDSME-CRAIPNDOSA-N 2 0 324.896 2.955 20 0 DFADRP CCCCC[C@H]1CCC[N@@H+]1C[C@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC000516301517 300339127 /nfs/dbraw/zinc/33/91/27/300339127.db2.gz UCAWTRSCQDSNSC-FHWLQOOXSA-N 2 0 304.478 2.962 20 0 DFADRP CC[C@@]1(C(=O)NC[C@@H](c2ccc(Cl)cc2)[NH+](C)C)CCC[NH2+]1 ZINC000516774319 300360017 /nfs/dbraw/zinc/36/00/17/300360017.db2.gz MNHIVUNBFVICRC-RDJZCZTQSA-N 2 0 323.868 2.591 20 0 DFADRP C[C@H](C[NH2+][C@H](C)[C@H]1CCC[NH2+]C1)c1nc(-c2ccccc2)no1 ZINC000516861494 300364006 /nfs/dbraw/zinc/36/40/06/300364006.db2.gz QHWKOUNODQQUCN-FMKPAKJESA-N 2 0 314.433 2.818 20 0 DFADRP Cn1cncc1CC[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000517010016 300376606 /nfs/dbraw/zinc/37/66/06/300376606.db2.gz XNIPPJLVIGTPIM-REPLKXPHSA-N 2 0 324.472 2.748 20 0 DFADRP CCOC(=O)C1(C)CCC([NH2+]Cc2ccc(C[NH3+])cc2)CC1 ZINC000519608351 300462628 /nfs/dbraw/zinc/46/26/28/300462628.db2.gz ZTUQWPICVPJSFR-UHFFFAOYSA-N 2 0 304.434 2.747 20 0 DFADRP COc1cc([C@@H](C)[NH2+]CC2(SC)CC[NH+](C)CC2)ccn1 ZINC000521899035 300541131 /nfs/dbraw/zinc/54/11/31/300541131.db2.gz HLXNUHRTOHEFLW-CYBMUJFWSA-N 2 0 309.479 2.568 20 0 DFADRP C[NH+]1CCN(c2cc[nH+]cc2NCc2ccc3cc[nH]c3c2)CC1 ZINC000527688109 300673064 /nfs/dbraw/zinc/67/30/64/300673064.db2.gz RYUPLTIWYJOVNL-UHFFFAOYSA-N 2 0 321.428 2.927 20 0 DFADRP CC(C)[C@@H](C(=O)NC[C@@H]1CC[N@@H+]1C1CCCC1)[NH+]1CCCCC1 ZINC000530023204 301005298 /nfs/dbraw/zinc/00/52/98/301005298.db2.gz CSZZAZBQRKNRPZ-ROUUACIJSA-N 2 0 321.509 2.630 20 0 DFADRP C[C@H]([NH3+])[C@H]1COCC[C@@H]1[NH2+]CC1CCc2ccccc2CC1 ZINC000530214330 301029495 /nfs/dbraw/zinc/02/94/95/301029495.db2.gz XTMXYTPVEVKOLO-KYNGSXCRSA-N 2 0 302.462 2.524 20 0 DFADRP Cn1cc2ccc(C[NH2+][C@@H]3CCC[C@@H]3[C@@H]3CCCC[NH2+]3)cc2n1 ZINC000530217921 301030383 /nfs/dbraw/zinc/03/03/83/301030383.db2.gz JDZLEAAKRUZSHI-FGTMMUONSA-N 2 0 312.461 2.974 20 0 DFADRP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+]C[C@H]1c2ccccc2C(=O)N1C ZINC000530219957 301030961 /nfs/dbraw/zinc/03/09/61/301030961.db2.gz ACEBXAMXTFTQIZ-RKVPGOIHSA-N 2 0 315.461 2.714 20 0 DFADRP FC(F)(F)c1ncccc1C[N@@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000530219691 301031293 /nfs/dbraw/zinc/03/12/93/301031293.db2.gz HXFIKFUHGUZQFZ-QWHCGFSZSA-N 2 0 313.367 2.922 20 0 DFADRP O[C@H](C[NH2+]C[C@@H]1CCN1C1CCCCC1)c1ccccc1F ZINC000530234930 301032687 /nfs/dbraw/zinc/03/26/87/301032687.db2.gz AWLZPQMCKQOXSL-MAUKXSAKSA-N 2 0 306.425 2.856 20 0 DFADRP C[C@H](c1ccc(F)cc1)[NH+]1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000530238843 301033414 /nfs/dbraw/zinc/03/34/14/301033414.db2.gz DCICDTLOCHVGCN-KDOFPFPSSA-N 2 0 306.425 2.977 20 0 DFADRP c1cc2c(cc1N[C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1)OCC[NH2+]C2 ZINC000530247329 301033736 /nfs/dbraw/zinc/03/37/36/301033736.db2.gz QFKUDZKDNSOUHZ-GVDBMIGSSA-N 2 0 301.434 2.501 20 0 DFADRP CCc1cccc(F)c1C[NH+]1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000530248839 301034069 /nfs/dbraw/zinc/03/40/69/301034069.db2.gz QFPFVHQFBYUZMQ-QGZVFWFLSA-N 2 0 320.452 2.979 20 0 DFADRP CCc1cccc(NC(=O)CN(C)[C@H]2CC[N@@H+](CC)[C@@H](C)C2)c1 ZINC000530662798 301061971 /nfs/dbraw/zinc/06/19/71/301061971.db2.gz CBHZMYBCXMNCOU-YJBOKZPZSA-N 2 0 317.477 2.992 20 0 DFADRP CN1CC[NH+](CCCC[NH2+][C@H]2CCc3c2cccc3Cl)CC1 ZINC000531686106 301104032 /nfs/dbraw/zinc/10/40/32/301104032.db2.gz DVLGTFNUDPGPPN-SFHVURJKSA-N 2 0 321.896 2.945 20 0 DFADRP CC[C@@H]([NH2+][C@@H](CN1CC[NH+](C)CC1)c1ccccc1)C1CC1 ZINC000531710384 301105314 /nfs/dbraw/zinc/10/53/14/301105314.db2.gz BIDVLSRMCSLEFY-MOPGFXCFSA-N 2 0 301.478 2.753 20 0 DFADRP CC[C@@H]1CCC[C@H]1[NH2+]Cc1ccc(N2CC[NH+](CC)CC2)nc1 ZINC000532192986 301136108 /nfs/dbraw/zinc/13/61/08/301136108.db2.gz BVHGTWUDWKOGID-QZTJIDSGSA-N 2 0 316.493 2.892 20 0 DFADRP C[C@H]([NH2+]CCCCn1ccnc1)c1ccc(-n2cncn2)cc1 ZINC000532478448 301154629 /nfs/dbraw/zinc/15/46/29/301154629.db2.gz CRZPJMMTFHWSOH-HNNXBMFYSA-N 2 0 310.405 2.595 20 0 DFADRP CC[C@H](C)[C@@H](C)[NH2+][C@@H](CN1CC[NH+](C)CC1)c1ccccc1 ZINC000532497877 301155990 /nfs/dbraw/zinc/15/59/90/301155990.db2.gz XZGYXCQXQIXKOI-SCTDSRPQSA-N 2 0 303.494 2.999 20 0 DFADRP COc1cc2c(cc1C[NH+]1CCC(C[NH+](C)C)CC1)O[C@H](C)C2 ZINC000534332009 301228788 /nfs/dbraw/zinc/22/87/88/301228788.db2.gz ZNKZPDJLAWUMIE-CQSZACIVSA-N 2 0 318.461 2.792 20 0 DFADRP Cc1ccsc1C[N@H+]1CC[C@@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000539824399 301350874 /nfs/dbraw/zinc/35/08/74/301350874.db2.gz CDBUPASPLXPOFG-MRXNPFEDSA-N 2 0 307.507 2.657 20 0 DFADRP C[NH+](C)CCCCC(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000552381214 301690812 /nfs/dbraw/zinc/69/08/12/301690812.db2.gz ANNVLKOLDFJOHX-HNNXBMFYSA-N 2 0 323.506 2.733 20 0 DFADRP Cc1ccc([C@H](CNC(=O)[C@@H]([NH3+])CC(C)C)[NH+]2CCCC2)cc1 ZINC000236698493 301795222 /nfs/dbraw/zinc/79/52/22/301795222.db2.gz ORIWPECKVRGYTP-ROUUACIJSA-N 2 0 317.477 2.622 20 0 DFADRP Cc1noc(C2CCC([NH2+]Cc3ccc4c[nH+]cn4c3)CC2)n1 ZINC000560897116 301918129 /nfs/dbraw/zinc/91/81/29/301918129.db2.gz YVCWIUDRDHLWSQ-UHFFFAOYSA-N 2 0 311.389 2.842 20 0 DFADRP Cc1noc(C[C@H]([NH2+][C@H](C)[C@H]2CCC[NH2+]C2)c2ccccc2)n1 ZINC000562957061 302017586 /nfs/dbraw/zinc/01/75/86/302017586.db2.gz LMMSDYRWDUOSID-COXVUDFISA-N 2 0 314.433 2.640 20 0 DFADRP C[C@H](CCN[C@@H](C)[C@@H]1CCC[NH2+]C1)[N@H+](C)Cc1ccccc1 ZINC000562958380 302018117 /nfs/dbraw/zinc/01/81/17/302018117.db2.gz CLPGEAWWINBIDX-ZIFCJYIRSA-N 3 0 303.494 2.875 20 0 DFADRP C[C@H]([NH2+]C[C@@H]1CCCN(Cc2cccs2)C1)[C@@H]1CCC[NH2+]C1 ZINC000562959059 302018151 /nfs/dbraw/zinc/01/81/51/302018151.db2.gz QDNJHIDSCABAIA-YESZJQIVSA-N 2 0 321.534 2.938 20 0 DFADRP CC(=O)N1CC[C@H]([NH2+][C@@H]2CCCC[C@@H]2C[NH3+])c2ccccc21 ZINC000562960384 302018583 /nfs/dbraw/zinc/01/85/83/302018583.db2.gz OALLJGZKZPLFTK-OIISXLGYSA-N 2 0 301.434 2.591 20 0 DFADRP C[N@H+](C[C@@H](O)CN[C@H]1CCCOc2c(Cl)cccc21)C1CC1 ZINC000562992322 302022291 /nfs/dbraw/zinc/02/22/91/302022291.db2.gz ONYSWRSCHAQPNG-BBRMVZONSA-N 2 0 324.852 2.598 20 0 DFADRP CC[NH+](CC)CCO[C@H]1CC[N@H+](CCc2ncc(C)cc2C)C1 ZINC000563042796 302030017 /nfs/dbraw/zinc/03/00/17/302030017.db2.gz ARHBXVNHZOSRQU-SFHVURJKSA-N 2 0 319.493 2.674 20 0 DFADRP CCOc1ccc(C[NH2+]Cc2ccc(C[NH3+])cc2)cc1OC ZINC000563135825 302040237 /nfs/dbraw/zinc/04/02/37/302040237.db2.gz UVAZLTBHPDRJDX-UHFFFAOYSA-N 2 0 300.402 2.842 20 0 DFADRP Cc1ccc(C[NH+]2CC[C@@H](C[N@@H+](C)CC3(O)CCC3)C2)s1 ZINC000563217388 302051203 /nfs/dbraw/zinc/05/12/03/302051203.db2.gz OSKHLRNLFXQSBD-HNNXBMFYSA-N 2 0 308.491 2.725 20 0 DFADRP CCc1ccccc1[C@H]([NH3+])CNC1CC[NH+](CC2CC2)CC1 ZINC000563446006 302073711 /nfs/dbraw/zinc/07/37/11/302073711.db2.gz ARXMHSPAWFULMP-LJQANCHMSA-N 2 0 301.478 2.713 20 0 DFADRP CC(C)[C@@H]1C[C@H]1CNc1ncnc2c1cnn2-c1ccncc1 ZINC000563690032 302092856 /nfs/dbraw/zinc/09/28/56/302092856.db2.gz VDQOYVQTACRADB-JSGCOSHPSA-N 2 0 308.389 2.915 20 0 DFADRP C[C@@H]([NH2+][C@H](C)C1C[NH2+]C1)c1ccc(NC(=O)c2ccncc2)cc1 ZINC000564074308 302116943 /nfs/dbraw/zinc/11/69/43/302116943.db2.gz TULYSRMQZPATCF-ZIAGYGMSSA-N 2 0 324.428 2.592 20 0 DFADRP OCCCN1CCC[C@@H]1C[NH2+][C@H](CC1CC1)c1ccccc1 ZINC000564292491 302126680 /nfs/dbraw/zinc/12/66/80/302126680.db2.gz FKHRPQAYZQUWFM-RTBURBONSA-N 2 0 302.462 2.964 20 0 DFADRP C[C@H](CCc1n[nH]c2ccccc21)[NH2+][C@@H]1CCc2nc[nH]c2C1 ZINC000564615978 302144323 /nfs/dbraw/zinc/14/43/23/302144323.db2.gz MMIBTWWWOGZXLW-CHWSQXEVSA-N 2 0 309.417 2.754 20 0 DFADRP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+]Cc1ccc2cnn(C)c2c1 ZINC000564822569 302161222 /nfs/dbraw/zinc/16/12/22/302161222.db2.gz GIQQBSLCCZIJKC-RHSMWYFYSA-N 2 0 300.450 2.974 20 0 DFADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]C[C@@]1(C)CCO[C@H]1C1CC1 ZINC000564826621 302161676 /nfs/dbraw/zinc/16/16/76/302161676.db2.gz YZWCOCCVLNMAQC-UYHISHBKSA-N 2 0 303.450 2.705 20 0 DFADRP C[C@@H]([NH2+]CCN1CCc2c(Cl)cccc2C1)[C@@H]1CCC[NH2+]C1 ZINC000564826093 302161827 /nfs/dbraw/zinc/16/18/27/302161827.db2.gz AZNIDCAQGFTLLG-HUUCEWRRSA-N 2 0 321.896 2.676 20 0 DFADRP C[C@@H]1CCC[N@H+](CCCC[NH2+]CCC(=O)Nc2cccnc2)C1 ZINC000564845042 302163095 /nfs/dbraw/zinc/16/30/95/302163095.db2.gz QWKWXOLBXFJCCD-MRXNPFEDSA-N 2 0 318.465 2.512 20 0 DFADRP C[C@@H](CC[NH+](C)C)[NH2+]C[C@H](O)COc1ccc(C(C)(C)C)cc1 ZINC000564857067 302165089 /nfs/dbraw/zinc/16/50/89/302165089.db2.gz QLIPGLQVZXYSJR-RDJZCZTQSA-N 2 0 322.493 2.654 20 0 DFADRP CC(C)(C[NH2+][C@H]1CCC[C@H]([NH3+])C1)N1CCc2ccccc2C1 ZINC000565224878 302209662 /nfs/dbraw/zinc/20/96/62/302209662.db2.gz AHJSBTAYKUZDTR-ROUUACIJSA-N 2 0 301.478 2.683 20 0 DFADRP [NH3+][C@@H]1CCC[C@H]([NH2+]CCc2cc(Br)ccc2F)C1 ZINC000565491106 302227556 /nfs/dbraw/zinc/22/75/56/302227556.db2.gz NESOZIMVATVTMO-OLZOCXBDSA-N 2 0 315.230 2.990 20 0 DFADRP C[C@H](CCc1n[nH]c2ccccc21)[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000565827701 302243889 /nfs/dbraw/zinc/24/38/89/302243889.db2.gz AXZDECRSFSKJEW-LVQVYYBASA-N 2 0 312.461 2.862 20 0 DFADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+][C@H]1CCCC12CCOCC2 ZINC000565827557 302243929 /nfs/dbraw/zinc/24/39/29/302243929.db2.gz BIXYFYZUJJPSMX-YOEHRIQHSA-N 2 0 303.450 2.849 20 0 DFADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+]Cc1ccc(Oc2cnccn2)cc1 ZINC000565880603 302246343 /nfs/dbraw/zinc/24/63/43/302246343.db2.gz RYHLHDUNJDGFQH-JOUKPKRSSA-N 2 0 324.428 2.874 20 0 DFADRP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+][C@@H]1CCc2cc(N)ccc21 ZINC000566020570 302254137 /nfs/dbraw/zinc/25/41/37/302254137.db2.gz VHHQAZFJZDQPBN-LJQANCHMSA-N 2 0 319.412 2.935 20 0 DFADRP [NH3+][C@@H]1CCC[C@@H]([NH2+]Cc2ccc(NC(=O)c3cccnc3)cc2)C1 ZINC000566020539 302254321 /nfs/dbraw/zinc/25/43/21/302254321.db2.gz TZYOLWWKXSQHHY-SJLPKXTDSA-N 2 0 324.428 2.693 20 0 DFADRP C[C@H](C[NH2+]C[C@@H](O)[C@H](C)c1ccccc1)C[NH+]1CCCCC1 ZINC000566107372 302259759 /nfs/dbraw/zinc/25/97/59/302259759.db2.gz JRQWUXYGEFLMPV-ZHALLVOQSA-N 2 0 304.478 2.863 20 0 DFADRP Cc1ccc(OC[C@@H](O)C[NH2+]C2CC[NH+](C(C)(C)C)CC2)cc1 ZINC000566108173 302260106 /nfs/dbraw/zinc/26/01/06/302260106.db2.gz VRTXZBBKTDZWBJ-KRWDZBQOSA-N 2 0 320.477 2.587 20 0 DFADRP C[C@@H](C[NH2+]CCC(=O)Nc1ccc(Cl)cc1)C[NH+]1CCCC1 ZINC000566107633 302260259 /nfs/dbraw/zinc/26/02/59/302260259.db2.gz OVXOTQUUZZRBQX-AWEZNQCLSA-N 2 0 323.868 2.990 20 0 DFADRP C[C@@H](C[NH2+]C[C@@H](O)CCc1ccccc1)C[NH+]1CCCCC1 ZINC000566106369 302260318 /nfs/dbraw/zinc/26/03/18/302260318.db2.gz NSZAWUCLZNBWQE-HKUYNNGSSA-N 2 0 304.478 2.692 20 0 DFADRP CC1CCC(O)(C[NH2+]Cc2ccc(C[NH+](C)C)c(F)c2)CC1 ZINC000566113607 302260829 /nfs/dbraw/zinc/26/08/29/302260829.db2.gz RLFGLOYGBRECKX-UHFFFAOYSA-N 2 0 308.441 2.918 20 0 DFADRP CCOc1ccc(OCC[NH+]2CCC([C@@H]3CC[NH2+]C3)CC2)cc1 ZINC000566242031 302269584 /nfs/dbraw/zinc/26/95/84/302269584.db2.gz DYOAYOVFGQVJFT-QGZVFWFLSA-N 2 0 318.461 2.786 20 0 DFADRP CCC[N@H+](CC)Cc1ccc(C(=O)N[C@H](C)C[C@@H](C)[NH3+])cc1 ZINC000566294962 302275789 /nfs/dbraw/zinc/27/57/89/302275789.db2.gz HMFUQVDHESECDK-HUUCEWRRSA-N 2 0 305.466 2.774 20 0 DFADRP CC[N@@H+]1CC[C@@H](N(C)Cc2ccc3c(c2)C[NH2+]CC3)C[C@@H]1C ZINC000566351699 302281357 /nfs/dbraw/zinc/28/13/57/302281357.db2.gz YAMAHHAKOHMJNS-HNAYVOBHSA-N 2 0 301.478 2.637 20 0 DFADRP Cc1ccc(C[NH+]2CCC(N3CCOC[C@@H]3C)CC2)cc1C ZINC000566425782 302285515 /nfs/dbraw/zinc/28/55/15/302285515.db2.gz GXWPFTCWHKAOKA-KRWDZBQOSA-N 2 0 302.462 2.989 20 0 DFADRP Cc1ccncc1[C@@H](C)[NH2+]CCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000271352353 302294755 /nfs/dbraw/zinc/29/47/55/302294755.db2.gz DLLVJNGZWBOHHS-IXDOHACOSA-N 2 0 305.466 2.930 20 0 DFADRP CCc1cccc(OC[C@@H](O)C[NH2+][C@@H](C)C(C)(C)C[NH+](C)C)c1 ZINC000566673637 302302997 /nfs/dbraw/zinc/30/29/97/302302997.db2.gz UVYOIYGHKIIBHS-RDJZCZTQSA-N 2 0 322.493 2.555 20 0 DFADRP C[N@H+](CCC[NH2+]C[C@@H](O)Cc1ccc(F)cc1)C1CCCCC1 ZINC000566720541 302306400 /nfs/dbraw/zinc/30/64/00/302306400.db2.gz NFHGBUTWBLVIKF-IBGZPJMESA-N 2 0 322.468 2.973 20 0 DFADRP C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)c1sccc1C[NH+](C)C ZINC000567273807 302346410 /nfs/dbraw/zinc/34/64/10/302346410.db2.gz ATHIUCCIFMUVSV-ZDUSSCGKSA-N 2 0 323.506 2.612 20 0 DFADRP CC(C)[NH+]1CCN([C@@H]2CC[N@H+](CC34CCC(CC3)C4)C2)CC1 ZINC000567440747 302358225 /nfs/dbraw/zinc/35/82/25/302358225.db2.gz HVAWDPQHJLUFBW-JLAWEPINSA-N 2 0 305.510 2.667 20 0 DFADRP COCCCOc1cc(C)ccc1C[NH2+][C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000567642455 302375743 /nfs/dbraw/zinc/37/57/43/302375743.db2.gz DPTPXQBUICDPTN-IRXDYDNUSA-N 2 0 320.477 2.888 20 0 DFADRP C[C@H]([NH2+][C@@H](C)[C@H]1CC[NH2+]C1)c1ccc(NC(=O)C2CC2)cc1 ZINC000567641508 302375834 /nfs/dbraw/zinc/37/58/34/302375834.db2.gz FNGCPELJENPYGO-XEZPLFJOSA-N 2 0 301.434 2.684 20 0 DFADRP CC(C)C[C@H]1OCCC[C@@H]1[NH2+]Cc1cc(C2CC[NH2+]CC2)no1 ZINC000567663281 302377366 /nfs/dbraw/zinc/37/73/66/302377366.db2.gz PXHYXKVDUOCXCU-FUHWJXTLSA-N 2 0 321.465 2.825 20 0 DFADRP C[C@@H]1CC[N@H+](C[C@H](O)[C@@H]([NH3+])Cc2ccccc2)[C@H]2CCCC[C@@H]12 ZINC000567897398 302397464 /nfs/dbraw/zinc/39/74/64/302397464.db2.gz FDFDEMDZKXVULK-HTDHLNIYSA-N 2 0 316.489 2.818 20 0 DFADRP [NH3+][C@@H]1CCC[C@H]([NH2+]Cc2cccc(COC3CCOCC3)c2)C1 ZINC000567915075 302398645 /nfs/dbraw/zinc/39/86/45/302398645.db2.gz GFZZWIQCDQGYKB-MSOLQXFVSA-N 2 0 318.461 2.742 20 0 DFADRP [NH3+][C@H]1CCCCC[C@H]1NC[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC000569110882 302499929 /nfs/dbraw/zinc/49/99/29/302499929.db2.gz SKCXHIGVDHRHIW-WZGPROSRSA-N 2 0 319.468 2.768 20 0 DFADRP CC(C)c1[nH+]c(CN2CCC[C@@H]([NH+](C)C)C2)c2ccccn21 ZINC000570049240 302553658 /nfs/dbraw/zinc/55/36/58/302553658.db2.gz HQYMMINBAAPMHZ-OAHLLOKOSA-N 2 0 300.450 2.984 20 0 DFADRP CC[NH+]1CCC(C[NH2+][C@@H]2CCc3c(cccc3OC)C2)CC1 ZINC000570573412 302580606 /nfs/dbraw/zinc/58/06/06/302580606.db2.gz VKNAHBWMSRLRBV-QGZVFWFLSA-N 2 0 302.462 2.874 20 0 DFADRP CCC[C@@H]1CCCC[C@@H]1[NH2+]CC(=O)NC1CC[NH+](CC)CC1 ZINC000572488979 302665785 /nfs/dbraw/zinc/66/57/85/302665785.db2.gz ODKGMIVAKQXWHK-WBVHZDCISA-N 2 0 309.498 2.535 20 0 DFADRP Cc1ccc(C[NH2+]C2CCC([NH3+])CC2)c(O[C@@H]2CCOC2)c1 ZINC000572630443 302673801 /nfs/dbraw/zinc/67/38/01/302673801.db2.gz RHUKSALOFSNRAW-OFLPRAFFSA-N 2 0 304.434 2.522 20 0 DFADRP C[C@@H]([NH2+]Cc1ccc(OCC(F)(F)F)nc1)[C@@H]1CCC[NH2+]C1 ZINC000572970069 302686871 /nfs/dbraw/zinc/68/68/71/302686871.db2.gz IFXQKCMMUNIOOH-DGCLKSJQSA-N 2 0 317.355 2.500 20 0 DFADRP COc1cc(C[NH2+]C2CCC([NH3+])CC2)ccc1OC(F)F ZINC000573082300 302690434 /nfs/dbraw/zinc/69/04/34/302690434.db2.gz LUURZZLZMCNSND-UHFFFAOYSA-N 2 0 300.349 2.656 20 0 DFADRP C[C@H]([NH2+][C@H]1CCCN(c2ccccc2F)C1)[C@H]1CCC[NH2+]C1 ZINC000573437025 302704367 /nfs/dbraw/zinc/70/43/67/302704367.db2.gz MCNMHMCBHQAVTA-JYJNAYRXSA-N 2 0 305.441 2.772 20 0 DFADRP [NH3+]Cc1ccc(C(=O)N2CCC[C@H]([NH+]3CCCCCC3)C2)cc1 ZINC000237947273 303431571 /nfs/dbraw/zinc/43/15/71/303431571.db2.gz ADTTZHFUTAZTAU-SFHVURJKSA-N 2 0 315.461 2.626 20 0 DFADRP CC[C@H](C)[C@@H](C)[NH2+]CC1CC[NH+](CC(=O)NC(C)(C)C)CC1 ZINC000163495531 315876234 /nfs/dbraw/zinc/87/62/34/315876234.db2.gz ZJTFDSXFGJXJJL-LSDHHAIUSA-N 2 0 311.514 2.637 20 0 DFADRP CCOC(=O)[C@H](CC(C)C)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000182192295 316089098 /nfs/dbraw/zinc/08/90/98/316089098.db2.gz HXKMPSVZCUHJDA-SJORKVTESA-N 2 0 310.482 2.772 20 0 DFADRP CC[NH+](CC)[C@H](CNc1cc[nH+]cc1C(N)=O)c1ccsc1 ZINC000184057130 316157640 /nfs/dbraw/zinc/15/76/40/316157640.db2.gz ORUHFCJGOMWCSI-OAHLLOKOSA-N 2 0 318.446 2.737 20 0 DFADRP CC[NH+](CC)Cc1cccc(CNc2cc[nH+]cc2C(N)=O)c1 ZINC000184062409 316157766 /nfs/dbraw/zinc/15/77/66/316157766.db2.gz JSZQKCVGMCMCJE-UHFFFAOYSA-N 2 0 312.417 2.634 20 0 DFADRP C[C@H](NCC[NH+]1CCC(C)CC1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185686636 316190479 /nfs/dbraw/zinc/19/04/79/316190479.db2.gz WUECUVXKHWAMCQ-ZWKOTPCHSA-N 2 0 307.526 2.961 20 0 DFADRP COc1cc([C@H](C)[NH2+][C@@H](C)CCN2CC[NH+](C)CC2)ccc1F ZINC000186566411 316201800 /nfs/dbraw/zinc/20/18/00/316201800.db2.gz HDNWUIFNHDDELX-GJZGRUSLSA-N 2 0 323.456 2.511 20 0 DFADRP C[N@@H+]1CCC[C@@H](C[NH2+][C@H]2CCCN(Cc3ccccc3)C2)C1 ZINC000309563056 316237192 /nfs/dbraw/zinc/23/71/92/316237192.db2.gz TWVQPOLSKWOSBW-OALUTQOASA-N 2 0 301.478 2.582 20 0 DFADRP C[C@@H]1CCCC[N@@H+]1CCCNC(=O)CC[C@H]([NH3+])c1ccccc1 ZINC000320443386 316253958 /nfs/dbraw/zinc/25/39/58/316253958.db2.gz CRCDEIDKHSHSKF-AEFFLSMTSA-N 2 0 317.477 2.847 20 0 DFADRP C[C@@H]1C[N@@H+]2CCCC[C@H]2CN1C(=O)CC[C@H]([NH3+])c1ccccc1 ZINC000322156150 316258353 /nfs/dbraw/zinc/25/83/53/316258353.db2.gz ALABXJCUVCIYGG-NJAFHUGGSA-N 2 0 315.461 2.552 20 0 DFADRP COc1ccc(C[C@@H](C)[NH2+]CC2CC[NH+](C)CC2)c(C)c1OC ZINC000353520640 316530740 /nfs/dbraw/zinc/53/07/40/316530740.db2.gz OEBMNNYKWGYARH-CQSZACIVSA-N 2 0 320.477 2.875 20 0 DFADRP CCc1cccc(F)c1C[NH+]1CCC([C@@H]2OCC[C@H]2[NH3+])CC1 ZINC000414768283 316649109 /nfs/dbraw/zinc/64/91/09/316649109.db2.gz HRXQBEAWYOQDLN-MSOLQXFVSA-N 2 0 306.425 2.716 20 0 DFADRP Clc1ccccc1[C@H]1CCC[C@@H]1[NH2+]CCCN1CC[NH2+]CC1 ZINC000414775373 316650688 /nfs/dbraw/zinc/65/06/88/316650688.db2.gz CHQWYZMDJIJSMP-AEFFLSMTSA-N 2 0 321.896 2.861 20 0 DFADRP FC1(F)Oc2cccc(C[NH+]3CCC4(CC[NH2+]C4)CC3)c2O1 ZINC000414777163 316651411 /nfs/dbraw/zinc/65/14/11/316651411.db2.gz XTRXCINNTZYDCQ-UHFFFAOYSA-N 2 0 310.344 2.584 20 0 DFADRP COc1ccc(C[NH2+][C@@H]2CCC[C@H]2C[NH3+])cc1OCC(C)C ZINC000414794761 316660718 /nfs/dbraw/zinc/66/07/18/316660718.db2.gz MCTSXQBCVCRDFE-JKSUJKDBSA-N 2 0 306.450 2.947 20 0 DFADRP COc1ccc(-c2ccncc2)cc1C[NH2+][C@@H]1CCC[C@H]1C[NH3+] ZINC000414812969 316665879 /nfs/dbraw/zinc/66/58/79/316665879.db2.gz XVHVSPFSSGFAFL-FUHWJXTLSA-N 2 0 311.429 2.974 20 0 DFADRP CSc1ccc(N(C)C(=O)CCC[NH+]2CCC([NH3+])CC2)cc1 ZINC000433115991 316877734 /nfs/dbraw/zinc/87/77/34/316877734.db2.gz KXCDQQJQRMPPHU-UHFFFAOYSA-N 2 0 321.490 2.575 20 0 DFADRP CSCc1ccc(NC(=O)CCC[NH+]2CCC([NH3+])CC2)cc1 ZINC000433130453 316879465 /nfs/dbraw/zinc/87/94/65/316879465.db2.gz RVFUIGXSRSSVKA-UHFFFAOYSA-N 2 0 321.490 2.691 20 0 DFADRP O[C@@H]1CCC[C@H]1[NH+]1CCC([NH2+]C2CCC(C(F)F)CC2)CC1 ZINC000442825739 316945423 /nfs/dbraw/zinc/94/54/23/316945423.db2.gz LWVYKHWLSROOLE-BCAXMMLOSA-N 2 0 316.436 2.778 20 0 DFADRP CCc1cc(N2CCN(C3CC[NH+](C(C)C)CC3)CC2)cc[nH+]1 ZINC000450393763 317089440 /nfs/dbraw/zinc/08/94/40/317089440.db2.gz QYHCPFSEMTXEQG-UHFFFAOYSA-N 2 0 316.493 2.639 20 0 DFADRP C[C@H](c1ccccc1)[C@H](O)C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000450497400 317098764 /nfs/dbraw/zinc/09/87/64/317098764.db2.gz CDCTWYTYCUUSFJ-XGXHKWSGSA-N 2 0 302.462 2.567 20 0 DFADRP C[N@H+](CCN1CC[C@H]2[C@H](CCC[NH+]2C)C1)Cc1ccccc1 ZINC000450499281 317099588 /nfs/dbraw/zinc/09/95/88/317099588.db2.gz IYQPYLPEAQIUTK-MOPGFXCFSA-N 2 0 301.478 2.535 20 0 DFADRP C[C@H](Cc1cnccn1)[NH2+]CC[C@H](C)[N@H+](C)Cc1ccccc1 ZINC000453146611 317164967 /nfs/dbraw/zinc/16/49/67/317164967.db2.gz XIIUPJZVMXUQFX-SJORKVTESA-N 2 0 312.461 2.908 20 0 DFADRP CC(C)OCCOC1CC[NH+]([C@@H]2CC[N@@H+]3CCC[C@H]3C2)CC1 ZINC000453354431 317179697 /nfs/dbraw/zinc/17/96/97/317179697.db2.gz JSCXVVDDUVRRLA-DLBZAZTESA-N 2 0 310.482 2.519 20 0 DFADRP C[C@H]([NH2+][C@H]1COCC1(C)C)c1ccc(OCC[NH+](C)C)cc1 ZINC000453386859 317182029 /nfs/dbraw/zinc/18/20/29/317182029.db2.gz WBQJWUTVLTZAHL-YOEHRIQHSA-N 2 0 306.450 2.703 20 0 DFADRP C[N@H+](CCCC[NH2+]Cc1cnn(-c2ccc(F)cc2)c1)C1CC1 ZINC000453590086 317191528 /nfs/dbraw/zinc/19/15/28/317191528.db2.gz AIVAPJZNRDLCBW-UHFFFAOYSA-N 2 0 316.424 2.975 20 0 DFADRP CCO[C@@H]1C[C@H]([NH2+]CCC[N@@H+]2CCCC[C@@H]2C)[C@H]1SC ZINC000459366794 317323241 /nfs/dbraw/zinc/32/32/41/317323241.db2.gz BVNWLERQTYLERZ-CAOSSQGBSA-N 2 0 300.512 2.750 20 0 DFADRP C[C@@H]1CN(C2CC2)C[C@H]1[NH2+]C[C@@H]1CCO[C@H]1c1ccccc1 ZINC000486424614 317342376 /nfs/dbraw/zinc/34/23/76/317342376.db2.gz FZAZXTXSNQQVMJ-HYEGPXJVSA-N 2 0 300.446 2.837 20 0 DFADRP CCN(CCC[NH+](CC)CC)C(=O)c1ccccc1C[NH+](C)C ZINC000487433886 317345288 /nfs/dbraw/zinc/34/52/88/317345288.db2.gz ROFNOCLTQNSZBC-UHFFFAOYSA-N 2 0 319.493 2.942 20 0 DFADRP CC[NH+]1CCN(CCC[NH2+][C@@H]2CS[C@H](C(C)(C)C)C2)CC1 ZINC000488414217 317390975 /nfs/dbraw/zinc/39/09/75/317390975.db2.gz NEFPXGAROYVWGL-HOTGVXAUSA-N 2 0 313.555 2.524 20 0 DFADRP CC[NH+]1CCN(Cc2ccccc2C[NH2+]C[C@@H]2C[C@H]2C)CC1 ZINC000488420570 317391672 /nfs/dbraw/zinc/39/16/72/317391672.db2.gz WQMITKBMFNWGPN-APWZRJJASA-N 2 0 301.478 2.570 20 0 DFADRP C[NH2+]CCC1CC[NH+](C[C@@H](Cc2ccc(F)cc2)OC)CC1 ZINC000530220463 317776659 /nfs/dbraw/zinc/77/66/59/317776659.db2.gz OFUNDQZZXDSRNQ-GOSISDBHSA-N 2 0 308.441 2.705 20 0 DFADRP C[C@@H]1CCCC[C@H]1OCC[NH+]1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000530240388 317777852 /nfs/dbraw/zinc/77/78/52/317777852.db2.gz LJBRNJPLNMWBPG-BHIYHBOVSA-N 2 0 324.509 2.672 20 0 DFADRP CCc1ccc(CC[NH+]2CCC(CO[C@@H]3CC[NH2+]C3)CC2)cc1 ZINC000530243720 317778882 /nfs/dbraw/zinc/77/88/82/317778882.db2.gz ZOPYKBLRPWZJGI-HXUWFJFHSA-N 2 0 316.489 2.882 20 0 DFADRP CC[C@H](CC(=O)N(CC[NH+](C)C)CC[NH+](C)C)c1ccccc1 ZINC000530641362 317786323 /nfs/dbraw/zinc/78/63/23/317786323.db2.gz LZWWLELJVIVFDV-QGZVFWFLSA-N 2 0 319.493 2.522 20 0 DFADRP COc1ccc(C[NH+](C)C)cc1NC(=O)C[NH+]1[C@H](C)CC[C@H]1C ZINC000531288728 317797528 /nfs/dbraw/zinc/79/75/28/317797528.db2.gz IZVYENDTLZHSKK-ZIAGYGMSSA-N 2 0 319.449 2.568 20 0 DFADRP CC(C)N(CC[NH+]1CCCCCC1)C(=O)CCCC[NH+](C)C ZINC000557999301 317877858 /nfs/dbraw/zinc/87/78/58/317877858.db2.gz DHKKBCPWBHMWFN-UHFFFAOYSA-N 2 0 311.514 2.831 20 0 DFADRP [NH3+][C@H]1CCCO[C@H]1C1CC[NH+](Cc2scnc2C2CC2)CC1 ZINC000565468151 317921703 /nfs/dbraw/zinc/92/17/03/317921703.db2.gz AAPDFDXCVILIIQ-YOEHRIQHSA-N 2 0 321.490 2.739 20 0 DFADRP C[C@@H](CNC(=O)c1ccccc1C[NH+](C)C)[N@@H+]1CCC[C@H](C)C1 ZINC000572787439 318003750 /nfs/dbraw/zinc/00/37/50/318003750.db2.gz UHJRHLNEQCHJPS-HOTGVXAUSA-N 2 0 317.477 2.598 20 0 DFADRP [NH3+][C@@H]1CCC[C@H](Nc2cccc(C[NH+]3CCSCC3)c2)C1 ZINC000573020617 318011378 /nfs/dbraw/zinc/01/13/78/318011378.db2.gz QFOFADKFNXEACE-WBVHZDCISA-N 2 0 305.491 2.917 20 0 DFADRP COc1ccc(C(C)(C)C[NH2+][C@@H]2CCC[C@@H]([NH3+])C2)cc1OC ZINC000573385701 318017425 /nfs/dbraw/zinc/01/74/25/318017425.db2.gz GJHOOHORHKVIEI-HUUCEWRRSA-N 2 0 306.450 2.841 20 0 DFADRP CC[NH+]1CCC(C[NH2+][C@H](C)c2cccc(-n3ccnn3)c2)CC1 ZINC000574662437 318032238 /nfs/dbraw/zinc/03/22/38/318032238.db2.gz RHZILVQMXGRAHO-OAHLLOKOSA-N 2 0 313.449 2.650 20 0 DFADRP C[NH+](C)CC[C@H]([NH2+]C[C@@H](O)CCc1ccccc1)C(C)(C)C ZINC000575040229 318058499 /nfs/dbraw/zinc/05/84/99/318058499.db2.gz QHFFMTUNOUUQIZ-ROUUACIJSA-N 2 0 306.494 2.936 20 0 DFADRP C[C@H](CCc1ccccc1)[NH+]1CCC(CO)([NH2+]CC2CC2)CC1 ZINC000575063096 318060611 /nfs/dbraw/zinc/06/06/11/318060611.db2.gz JRVHUYUQWOOWNJ-QGZVFWFLSA-N 2 0 316.489 2.834 20 0 DFADRP COc1nc2ccccc2cc1C[NH+]1CCC2(CC[NH2+]C2)CC1 ZINC000575123458 318064794 /nfs/dbraw/zinc/06/47/94/318064794.db2.gz IHYIIQUALZJBMA-UHFFFAOYSA-N 2 0 311.429 2.819 20 0 DFADRP C[C@H](CCc1ccco1)[NH2+]Cc1ccncc1OCC[NH+](C)C ZINC000575158087 318067608 /nfs/dbraw/zinc/06/76/08/318067608.db2.gz UMPBMVQYHYPARE-OAHLLOKOSA-N 2 0 317.433 2.726 20 0 DFADRP Cn1cc(C[NH2+]C[C@@H]2CCC[N@H+](C)C2)c(-c2ccc(F)cc2)n1 ZINC000575316720 318072672 /nfs/dbraw/zinc/07/26/72/318072672.db2.gz RCWUGUHURAGLBE-AWEZNQCLSA-N 2 0 316.424 2.658 20 0 DFADRP C[C@@H](CCNC(=O)Nc1ccc2c(c1)C[NH2+]C2)[NH+]1CCCCC1 ZINC000575775148 318082817 /nfs/dbraw/zinc/08/28/17/318082817.db2.gz AOWWCJSXJUVSDY-AWEZNQCLSA-N 2 0 316.449 2.676 20 0 DFADRP COc1ccc(OC2CC[NH+](C[C@]3(C)CC[NH2+]C3)CC2)cc1 ZINC000575922658 318091795 /nfs/dbraw/zinc/09/17/95/318091795.db2.gz CSTZEAVJWIWGQC-GOSISDBHSA-N 2 0 304.434 2.538 20 0 DFADRP Cc1cc(C[NH3+])cc(NC(=O)N(C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)c1 ZINC000575981732 318095545 /nfs/dbraw/zinc/09/55/45/318095545.db2.gz XFGWFHYYFADXJV-SJPCQFCGSA-N 2 0 316.449 2.543 20 0 DFADRP [NH3+][C@H]1CCC[C@@H]([NH2+]Cc2cc(Cl)c3c(c2)OCCCO3)C1 ZINC000576010145 318098524 /nfs/dbraw/zinc/09/85/24/318098524.db2.gz PUYBKBLSJYYJDU-QWHCGFSZSA-N 2 0 310.825 2.861 20 0 DFADRP C[NH+]1CCC(CC[NH2+]CCC(=O)Nc2cccc(Cl)c2)CC1 ZINC000576220362 318111418 /nfs/dbraw/zinc/11/14/18/318111418.db2.gz NXLXTGAFEINOBX-UHFFFAOYSA-N 2 0 323.868 2.990 20 0 DFADRP CC[NH2+]CCC[NH2+][C@@H](C)c1ccc(OC(F)F)c(OC)c1 ZINC000576218813 318111617 /nfs/dbraw/zinc/11/16/17/318111617.db2.gz YBKURCKSKOTGQJ-NSHDSACASA-N 2 0 302.365 2.947 20 0 DFADRP C[C@@H]1[NH2+]CC[C@@H]1C(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC000576634338 318139440 /nfs/dbraw/zinc/13/94/40/318139440.db2.gz FVWUTRUJBWCXHS-YJBOKZPZSA-N 2 0 315.461 2.652 20 0 DFADRP c1c2c(nn1-c1ccccc1)CCC[C@H]2[NH2+]CC1CC[NH2+]CC1 ZINC000577094606 318171061 /nfs/dbraw/zinc/17/10/61/318171061.db2.gz OIZNSDJZFAUUFU-GOSISDBHSA-N 2 0 310.445 2.839 20 0 DFADRP C[C@@H]1[NH2+]CC[C@H]1C(=O)Nc1ccc(C[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000577509344 318198024 /nfs/dbraw/zinc/19/80/24/318198024.db2.gz WDQVHNGUXUUOFG-RLFYNMQTSA-N 2 0 315.461 2.998 20 0 DFADRP CCO[C@@H]1C[C@H]1[NH2+][C@H]1CC2(CC[NH+](C)CC2)Oc2ccccc21 ZINC000577574471 318201508 /nfs/dbraw/zinc/20/15/08/318201508.db2.gz DRRLCPYPQGHESN-SOLBZPMBSA-N 2 0 316.445 2.742 20 0 DFADRP CC(C)[NH+](CCCNC(=O)C[C@H]([NH3+])Cc1ccccc1)C(C)C ZINC000577748576 318214733 /nfs/dbraw/zinc/21/47/33/318214733.db2.gz GONJNUXHLNKXPY-GOSISDBHSA-N 2 0 319.493 2.572 20 0 DFADRP Cc1ccc(C)c(OC[C@H](O)C[NH2+][C@@H]2CCC[C@@H]([NH+](C)C)C2)c1 ZINC000578127171 318239386 /nfs/dbraw/zinc/23/93/86/318239386.db2.gz GGKYFOBNEQLAOF-KZNAEPCWSA-N 2 0 320.477 2.506 20 0 DFADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+][C@H]1CCN(c2ncccc2F)C1 ZINC000578518477 318266562 /nfs/dbraw/zinc/26/65/62/318266562.db2.gz HAISIOOTMOKIAG-PMPSAXMXSA-N 2 0 320.456 2.700 20 0 DFADRP C[NH+](C)[C@H](CNC(=O)[C@@H]1CCC[C@H]([NH3+])C1)c1ccc(Cl)cc1 ZINC000578745389 318282454 /nfs/dbraw/zinc/28/24/54/318282454.db2.gz RQGMOTKQJLGWEF-VNQPRFMTSA-N 2 0 323.868 2.576 20 0 DFADRP CCO[C@@H]1C[C@@H]1[NH2+][C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000578832263 318287481 /nfs/dbraw/zinc/28/74/81/318287481.db2.gz JSXIIOQWNXFGLT-QXCZDIPSSA-N 2 0 300.446 2.664 20 0 DFADRP O=C(Nc1cccc(Oc2ccncc2)c1)NC1CC[NH2+]CC1 ZINC000579094663 318306700 /nfs/dbraw/zinc/30/67/00/318306700.db2.gz ALILIFXBKMYUNH-UHFFFAOYSA-N 2 0 312.373 2.747 20 0 DFADRP CCO[C@@H]1C[C@@H]([NH2+]CCC[NH2+]C(C)C)[C@H]1Oc1ccccc1 ZINC000579100082 318307060 /nfs/dbraw/zinc/30/70/60/318307060.db2.gz IHBAVGGEGPWBSZ-KZNAEPCWSA-N 2 0 306.450 2.589 20 0 DFADRP CC[NH+](CC)CCOc1ccc(C[NH2+][C@@H]2CCCC[C@H]2O)cc1 ZINC000579127972 318309761 /nfs/dbraw/zinc/30/97/61/318309761.db2.gz LGHGRPIGTXEZGM-RTBURBONSA-N 2 0 320.477 2.800 20 0 DFADRP C[NH+](C)CCCOc1cnccc1C[NH2+][C@H]1CCCC12CC2 ZINC000579252980 318318335 /nfs/dbraw/zinc/31/83/35/318318335.db2.gz IJWJCXXMNCIBSZ-KRWDZBQOSA-N 2 0 303.450 2.834 20 0 DFADRP C[NH+](C)CCCOc1cnccc1C[NH2+][C@@H]1CCCC12CC2 ZINC000579252981 318318445 /nfs/dbraw/zinc/31/84/45/318318445.db2.gz IJWJCXXMNCIBSZ-QGZVFWFLSA-N 2 0 303.450 2.834 20 0 DFADRP CC(C)Oc1ccc([C@H](C[NH2+][C@H]2CCC[C@@H]([NH3+])C2)N(C)C)cc1 ZINC000579258214 318318876 /nfs/dbraw/zinc/31/88/76/318318876.db2.gz GCLFOHVBAGTAAD-AOIWGVFYSA-N 2 0 319.493 2.936 20 0 DFADRP Cc1nc2cc(CNC(=O)CC[NH2+]C(C)C)ccc2n1C1CC1 ZINC000579589473 318340848 /nfs/dbraw/zinc/34/08/48/318340848.db2.gz PJSXLHUQEFEURR-UHFFFAOYSA-N 2 0 314.433 2.684 20 0 DFADRP CCCC[N@H+](C)C[C@@H](C)NC(=O)[C@H]1CC[NH+](C2CCCCC2)C1 ZINC000579900453 318360418 /nfs/dbraw/zinc/36/04/18/318360418.db2.gz GATMECMJCAYWAW-SJORKVTESA-N 2 0 323.525 2.878 20 0 DFADRP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+][C@@H]1CCN(CC(F)(F)F)C1 ZINC000580062372 318372358 /nfs/dbraw/zinc/37/23/58/318372358.db2.gz NYZKKSSKRUDYGB-MGPQQGTHSA-N 2 0 307.404 2.523 20 0 DFADRP C[C@H](CCc1n[nH]c2ccccc21)[NH2+][C@H]1CCCC[C@@H]1C[NH3+] ZINC000580168830 318380238 /nfs/dbraw/zinc/38/02/38/318380238.db2.gz MMUVJXXRMMWEIL-FMKPAKJESA-N 2 0 300.450 2.991 20 0 DFADRP C[C@H](CCc1n[nH]c2ccccc21)[NH2+][C@H]1CCCC[C@H]1C[NH3+] ZINC000580168833 318380554 /nfs/dbraw/zinc/38/05/54/318380554.db2.gz MMUVJXXRMMWEIL-YCPHGPKFSA-N 2 0 300.450 2.991 20 0 DFADRP C[C@@H]1C[C@H](C[N@@H+]2CC[C@H](C)N(Cc3ccccc3)CC2)CC[NH2+]1 ZINC000382717854 323301874 /nfs/dbraw/zinc/30/18/74/323301874.db2.gz IIPVDUJTYQHGAC-WSTZPKSXSA-N 2 0 315.505 2.971 20 0 DFADRP C[C@@H]1C[C@@H](C[N@@H+]2CCN(Cc3ccccc3)C[C@H]2C)CC[NH2+]1 ZINC000382744600 323302374 /nfs/dbraw/zinc/30/23/74/323302374.db2.gz REOBLROIOFHMAJ-LMMKCTJWSA-N 2 0 301.478 2.581 20 0 DFADRP C[N@H+](Cc1ccccc1)C1(CN[C@@H]2CCC[NH2+]CC2)CCC1 ZINC000386926478 323320782 /nfs/dbraw/zinc/32/07/82/323320782.db2.gz SIYNMFSNWBOCNX-GOSISDBHSA-N 2 0 301.478 2.773 20 0 DFADRP OCC1([NH2+]CC2CC2)CCN(CCSc2ccccc2)CC1 ZINC000580453417 323388812 /nfs/dbraw/zinc/38/88/12/323388812.db2.gz YBCVIKBOUYKLPV-UHFFFAOYSA-N 2 0 320.502 2.605 20 0 DFADRP C[NH+]1CCN(CCC(C)(C)[NH2+]Cc2ccc3[nH]ccc3c2)CC1 ZINC000580962743 323458011 /nfs/dbraw/zinc/45/80/11/323458011.db2.gz JXDHAGWNVLADDF-UHFFFAOYSA-N 2 0 314.477 2.674 20 0 DFADRP Cc1ccc(F)cc1NC(=O)[C@H](C)[NH+]1CCC(CC[NH3+])CC1 ZINC000581076651 323472324 /nfs/dbraw/zinc/47/23/24/323472324.db2.gz FJYVIIAJSNVXMM-ZDUSSCGKSA-N 2 0 307.413 2.522 20 0 DFADRP COC[C@@H](CCC[NH3+])[NH2+]Cc1ccc(OC2CCCCC2)nc1 ZINC000581542624 323537776 /nfs/dbraw/zinc/53/77/76/323537776.db2.gz UZCPUXPCMGLJEE-MRXNPFEDSA-N 2 0 321.465 2.637 20 0 DFADRP CC[NH+]1CCN(c2ccccc2N[C@H](C)[C@@H]2CCC[NH2+]C2)CC1 ZINC000582295398 323647186 /nfs/dbraw/zinc/64/71/86/323647186.db2.gz HBXUDVRCLQLLJC-IAGOWNOFSA-N 2 0 316.493 2.629 20 0 DFADRP CN(CCC[NH+](C)C)C(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C ZINC000582530212 323687716 /nfs/dbraw/zinc/68/77/16/323687716.db2.gz FHFMIAATAYXQIV-QGZVFWFLSA-N 2 0 318.465 2.651 20 0 DFADRP CC[C@@H]1C[C@H]([NH2+]Cc2cn(-c3cc[nH+]cc3)nc2C)CCO1 ZINC000582898828 323757283 /nfs/dbraw/zinc/75/72/83/323757283.db2.gz YDAOKRFQVKGKSO-NVXWUHKLSA-N 2 0 300.406 2.623 20 0 DFADRP Cn1ncc2ccc(C[NH2+][C@@H]3CCC[C@@H]3[C@@H]3CCCC[NH2+]3)cc21 ZINC000584404627 337319827 /nfs/dbraw/zinc/31/98/27/337319827.db2.gz CUJFYMQPOZTUOC-FGTMMUONSA-N 2 0 312.461 2.974 20 0 DFADRP C[C@H]([NH3+])c1ccc(C(=O)N2CC[C@@H](C[NH+]3CCCCC3)C2)cc1 ZINC000423447255 500923879 /nfs/dbraw/zinc/92/38/79/500923879.db2.gz UCNJZXRRGPMGBV-HOTGVXAUSA-N 2 0 315.461 2.654 20 0 DFADRP C[C@@H]1CC[N@H+](CCCc2nc(-c3cccs3)no2)C[C@@H]1C[NH3+] ZINC000318004467 534029989 /nfs/dbraw/zinc/02/99/89/534029989.db2.gz GWIWZSAYEDEGOT-OLZOCXBDSA-N 2 0 320.462 2.647 20 0 DFADRP C[C@H](CCc1ccc2c(c1)OCO2)[NH2+][C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000414825152 518181941 /nfs/dbraw/zinc/18/19/41/518181941.db2.gz SBCOLSFKDOFBSG-YCPHGPKFSA-N 2 0 304.434 2.714 20 0 DFADRP C[C@H]([NH2+]CC1(O)CC[NH+](Cc2ccccc2)CC1)[C@@H]1CC12CC2 ZINC000527907423 518183107 /nfs/dbraw/zinc/18/31/07/518183107.db2.gz HYIXBQOPTOCLHO-WMZOPIPTSA-N 2 0 314.473 2.792 20 0 DFADRP C(C[NH2+]C1CC[NH+](C2CCCCC2)CC1)COC[C@H]1CCOC1 ZINC000158078824 518391234 /nfs/dbraw/zinc/39/12/34/518391234.db2.gz NWVYOPQZGRCPDK-QGZVFWFLSA-N 2 0 324.509 2.816 20 0 DFADRP CC(C)CC[NH+]1CCC(CNC(=O)C[C@H]2CCC[NH2+]CC2)CC1 ZINC000364212541 519653046 /nfs/dbraw/zinc/65/30/46/519653046.db2.gz FSCFRHXIQKRZEW-KRWDZBQOSA-N 2 0 323.525 2.641 20 0 DFADRP c1[nH]nc(-c2cccnc2)c1C[NH2+]CCCCC[NH+]1CCCC1 ZINC000292921442 534463348 /nfs/dbraw/zinc/46/33/48/534463348.db2.gz GGCPVSAZIIHKKV-UHFFFAOYSA-N 2 0 313.449 2.827 20 0 DFADRP CC[NH2+]Cc1cccc(NC(=O)[C@@H]2C[C@H]3CCCC[N@@H+]3C2)c1 ZINC000366353576 520005022 /nfs/dbraw/zinc/00/50/22/520005022.db2.gz JZXGXGCRTPQGAN-NVXWUHKLSA-N 2 0 301.434 2.609 20 0 DFADRP CCCC[C@H]([NH3+])C(=O)NC1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC000154563788 521207067 /nfs/dbraw/zinc/20/70/67/521207067.db2.gz YXVFSHFYSJLPQO-QAPCUYQASA-N 2 0 317.477 2.846 20 0 DFADRP CCC[C@](C)([NH3+])C(=O)NC[C@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000365006410 521275419 /nfs/dbraw/zinc/27/54/19/521275419.db2.gz FJKZHVISKSMAPC-SUMDDJOVSA-N 2 0 317.477 2.531 20 0 DFADRP Cc1cnc(C[NH2+]CCc2ccc(OCC[NH+](C)C)cc2)s1 ZINC000294949454 534557472 /nfs/dbraw/zinc/55/74/72/534557472.db2.gz FJAUDGDVWCXGTA-UHFFFAOYSA-N 2 0 319.474 2.724 20 0 DFADRP [NH3+]CCCOC1CC[NH+](Cc2ccc(F)c3cccnc23)CC1 ZINC000321317334 534618193 /nfs/dbraw/zinc/61/81/93/534618193.db2.gz DXIPWINIQYTNTH-UHFFFAOYSA-N 2 0 317.408 2.704 20 0 DFADRP C[N@H+](C[C@@H]1CC12CC[NH+](Cc1ccc(F)cn1)CC2)C1CC1 ZINC000365003740 523026902 /nfs/dbraw/zinc/02/69/02/523026902.db2.gz RIODTGPZTDAGTD-AWEZNQCLSA-N 2 0 303.425 2.917 20 0 DFADRP CN(C(=[NH2+])NCC1CC[NH+](Cc2ccccc2F)CC1)C1CC1 ZINC000364270513 523772334 /nfs/dbraw/zinc/77/23/34/523772334.db2.gz NJPRDMDNWDQUOC-UHFFFAOYSA-N 2 0 318.440 2.656 20 0 DFADRP COc1ccc(CC[NH2+][C@@H]2CC[N@H+](C)[C@@H]3CCC[C@H]32)cc1F ZINC000367602238 523977193 /nfs/dbraw/zinc/97/71/93/523977193.db2.gz SABDORVLASNCEE-USXIJHARSA-N 2 0 306.425 2.839 20 0 DFADRP COc1ccc(C[NH2+][C@@H]2CC[N@H+](C)[C@@H]3CCC[C@@H]32)cc1OC ZINC000367617319 524086012 /nfs/dbraw/zinc/08/60/12/524086012.db2.gz QIKALVPLUXDERH-BZUAXINKSA-N 2 0 304.434 2.666 20 0 DFADRP Cc1cc(C)n(C[C@@H]2CCCC[NH+]2CC[C@H]2CCC[N@H+]2C)n1 ZINC000371205842 524531936 /nfs/dbraw/zinc/53/19/36/524531936.db2.gz VMJJALJREMXLAV-MSOLQXFVSA-N 2 0 304.482 2.839 20 0 DFADRP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCN(c3ccc(F)c(F)c3)C2)CC[N@@H+]1C ZINC000157942985 525268731 /nfs/dbraw/zinc/26/87/31/525268731.db2.gz UJOVAEMLZLABQY-ILXRZTDVSA-N 2 0 323.431 2.863 20 0 DFADRP CC1(C)[C@H]([NH2+]C[C@@H]2CC[N@H+](Cc3ccccc3)C2)[C@@H]2CCO[C@H]21 ZINC000309654281 527870562 /nfs/dbraw/zinc/87/05/62/527870562.db2.gz BBKUNBMCHOLJCA-INDMIFKZSA-N 2 0 314.473 2.912 20 0 DFADRP CCC[NH+](CCC)CCCC(=O)NCc1ccc2c[nH+]cn2c1 ZINC000297338014 528054321 /nfs/dbraw/zinc/05/43/21/528054321.db2.gz TWQGRFFELWHEPP-UHFFFAOYSA-N 2 0 316.449 2.853 20 0 DFADRP CCCC[N@H+](CC)Cc1cccc(CNC(=O)C2([NH3+])CCC2)c1 ZINC000294697533 528394822 /nfs/dbraw/zinc/39/48/22/528394822.db2.gz CDURWOTUSOICFZ-UHFFFAOYSA-N 2 0 317.477 2.806 20 0 DFADRP CCC[C@](C)([NH3+])C(=O)NC[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000309886329 528464390 /nfs/dbraw/zinc/46/43/90/528464390.db2.gz LGPLEXWDAXCVNF-MJGOQNOKSA-N 2 0 317.477 2.532 20 0 DFADRP CCC[NH2+][C@@H](C)C(=O)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000294880459 528541698 /nfs/dbraw/zinc/54/16/98/528541698.db2.gz XNETVKLPRKKDKN-INIZCTEOSA-N 2 0 317.477 2.677 20 0 DFADRP CC[N@H+](Cc1ccc(C(=O)NC[C@H](C)[NH+](C)C)cc1)C(C)C ZINC000299610119 528774692 /nfs/dbraw/zinc/77/46/92/528774692.db2.gz OJMFUXPOFSVAMM-HNNXBMFYSA-N 2 0 305.466 2.597 20 0 DFADRP CCCC[C@H](COC)[NH2+]C1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000305765278 528967081 /nfs/dbraw/zinc/96/70/81/528967081.db2.gz DBYWXPDKMYWNPB-FGTMMUONSA-N 2 0 312.498 2.549 20 0 DFADRP CC(C)[N@@H+]1CCCN([C@@H]2CC[NH+](Cc3ccccc3)C2)CC1 ZINC000297632881 529009131 /nfs/dbraw/zinc/00/91/31/529009131.db2.gz HYZVHAKIZXURQO-LJQANCHMSA-N 2 0 301.478 2.677 20 0 DFADRP CC1(C)CC[C@H]([NH2+]Cc2ccccc2C[N@@H+]2CC[C@H](O)C2)C1 ZINC000294920979 529048465 /nfs/dbraw/zinc/04/84/65/529048465.db2.gz BLQVRXMZPXZMRJ-ROUUACIJSA-N 2 0 302.462 2.922 20 0 DFADRP CCCC[C@H]([NH3+])C(=O)NC[C@H](c1ccsc1)[NH+](CC)CC ZINC000236805054 535043954 /nfs/dbraw/zinc/04/39/54/535043954.db2.gz XWSXFRRQTBGNFJ-LSDHHAIUSA-N 2 0 311.495 2.765 20 0 DFADRP CCC1(CC)[C@H]([NH2+]C2CC[NH+](C[C@H]3CCOC3)CC2)C[C@H]1OC ZINC000245912707 535274059 /nfs/dbraw/zinc/27/40/59/535274059.db2.gz PNVQFUPAEATKRU-KBAYOESNSA-N 2 0 324.509 2.671 20 0 DFADRP CC[NH+](CC)Cc1ccc(CNC(=O)[C@H]2C[C@@H](C)CC[NH2+]2)cc1 ZINC000261834827 535606367 /nfs/dbraw/zinc/60/63/67/535606367.db2.gz IHIYHHSULXZCGM-MAUKXSAKSA-N 2 0 317.477 2.533 20 0 DFADRP CC[NH+]1CCN([C@H](C)C[NH2+][C@@H]2c3cc(C)ccc3C[C@H]2C)CC1 ZINC000246026924 535741248 /nfs/dbraw/zinc/74/12/48/535741248.db2.gz VPJUKBCIQIGSSF-HLIPFELVSA-N 2 0 315.505 2.844 20 0 DFADRP CC[C@H](C)[C@@H](C)[N@H+](CC(=O)NC1CC[NH+](C(C)C)CC1)C1CC1 ZINC000358197878 535825312 /nfs/dbraw/zinc/82/53/12/535825312.db2.gz ONAVALFEURKSSZ-JKSUJKDBSA-N 2 0 323.525 2.874 20 0 DFADRP C[NH+](C)CCOc1cccc(N[C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)c1 ZINC000261668949 535914156 /nfs/dbraw/zinc/91/41/56/535914156.db2.gz HAPOHUNFOXXFFV-GBESFXJTSA-N 2 0 317.477 2.960 20 0 DFADRP C[NH2+][C@@H](C)Cc1noc([C@@H]2CCC[N@H+](Cc3ccccc3)C2)n1 ZINC000261773191 536350188 /nfs/dbraw/zinc/35/01/88/536350188.db2.gz NINLKSZHESULEN-GOEBONIOSA-N 2 0 314.433 2.600 20 0 DFADRP C[N@H+](Cc1ccccc1)CC(C)(C)CN1CC[C@@](C)(C[NH3+])C1 ZINC000261819339 536480868 /nfs/dbraw/zinc/48/08/68/536480868.db2.gz XQKFELWLOJAAME-IBGZPJMESA-N 2 0 303.494 2.815 20 0 DFADRP COc1cc(C[N@@H+]2CC[C@H](C)[C@@H](C[NH3+])C2)ccc1OC(F)F ZINC000262555824 536767747 /nfs/dbraw/zinc/76/77/47/536767747.db2.gz UDWDQKLENBPQBW-AAEUAGOBSA-N 2 0 314.376 2.713 20 0 DFADRP CN(Cc1ccccc1)C[C@@H](O)C[NH+]1CC2(C1)CCCCC2 ZINC000680534905 545507005 /nfs/dbraw/zinc/50/70/05/545507005.db2.gz KQHOSQZEYLPMQU-GOSISDBHSA-N 2 0 302.462 2.745 20 0 DFADRP C[NH+](C)CCOc1ccc(C[N@@H+]2CCOCC3(CCC3)C2)cc1 ZINC000680650177 545524683 /nfs/dbraw/zinc/52/46/83/545524683.db2.gz BUXJRLFGZQGWNZ-UHFFFAOYSA-N 2 0 318.461 2.630 20 0 DFADRP C[NH+]1CCN(CCC(C)(C)[NH2+]Cc2cscc2Cl)CC1 ZINC000681135824 545601832 /nfs/dbraw/zinc/60/18/32/545601832.db2.gz BXSKGHKTDMHFCM-UHFFFAOYSA-N 2 0 315.914 2.907 20 0 DFADRP C[C@@H]1C[N@@H+]([C@H]2CCc3ccccc32)CC[C@H]1N1CC[NH+](C)CC1 ZINC000682071146 545787342 /nfs/dbraw/zinc/78/73/42/545787342.db2.gz HEOBNMSMPMITJO-AHRSYUTCSA-N 2 0 313.489 2.632 20 0 DFADRP C[C@@H]1C[N@@H+]([C@@H]2CCc3ccccc32)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000682071147 545787692 /nfs/dbraw/zinc/78/76/92/545787692.db2.gz HEOBNMSMPMITJO-LSTHTHJFSA-N 2 0 313.489 2.632 20 0 DFADRP C[NH+]1CCC(N2CC[C@H]([NH2+]Cc3ccsc3Cl)C2)CC1 ZINC000682943419 545945269 /nfs/dbraw/zinc/94/52/69/545945269.db2.gz VXPQMKGBPSIHSI-ZDUSSCGKSA-N 2 0 313.898 2.660 20 0 DFADRP C[C@@H]1C[N@H+](CCC[NH2+]Cc2cccc3cnccc32)CCCO1 ZINC000683343914 546015939 /nfs/dbraw/zinc/01/59/39/546015939.db2.gz BUEYEKRXXJZTKR-MRXNPFEDSA-N 2 0 313.445 2.825 20 0 DFADRP Cc1ccc([C@H](C)[NH2+]CCC[N@@H+]2CCCO[C@@H](C)C2)c(C)n1 ZINC000683346141 546016319 /nfs/dbraw/zinc/01/63/19/546016319.db2.gz SEFJJUJALQUQML-HOTGVXAUSA-N 2 0 305.466 2.850 20 0 DFADRP Cc1ccc(C[NH2+][C@@H]2CCN(C3CC[NH+](C)CC3)C2)cc1Cl ZINC000683472808 546039549 /nfs/dbraw/zinc/03/95/49/546039549.db2.gz UAUYDUJXQVWNNR-MRXNPFEDSA-N 2 0 321.896 2.907 20 0 DFADRP C[NH+]1CCN(C(C)(C)C[NH2+]Cc2ncc(C(C)(C)C)s2)CC1 ZINC000684112199 546153406 /nfs/dbraw/zinc/15/34/06/546153406.db2.gz ZXCOKFUKSIDEHD-UHFFFAOYSA-N 2 0 324.538 2.556 20 0 DFADRP CO[C@H]1CCC[C@H]([NH2+]Cc2cccc(OCC[NH+](C)C)c2)C1 ZINC000684371125 546202175 /nfs/dbraw/zinc/20/21/75/546202175.db2.gz LBWZOIBMNSOPCO-IRXDYDNUSA-N 2 0 306.450 2.674 20 0 DFADRP CO[C@@]1(C)CCC[N@H+](Cc2ccc(OCC[NH+](C)C)cc2)C1 ZINC000684410909 546212312 /nfs/dbraw/zinc/21/23/12/546212312.db2.gz COWGWNVFORFLGA-SFHVURJKSA-N 2 0 306.450 2.628 20 0 DFADRP Cc1ccc(C[N@@H+](C)[C@H]2CCN(C3CC[NH+](C)CC3)C2)cc1F ZINC000685457265 546353977 /nfs/dbraw/zinc/35/39/77/546353977.db2.gz RDQQRZUTIWKYDI-SFHVURJKSA-N 2 0 319.468 2.734 20 0 DFADRP CN(CCC[N@H+](C)CC(C)(C)c1ccccc1)CC[NH+](C)C ZINC000685475856 546358975 /nfs/dbraw/zinc/35/89/75/546358975.db2.gz QRAKCRLSGXTIIV-UHFFFAOYSA-N 2 0 305.510 2.780 20 0 DFADRP CCC[C@@]1(CO)CC[N@H+](Cc2ccc(OCC[NH+](C)C)cc2)C1 ZINC000685477482 546359423 /nfs/dbraw/zinc/35/94/23/546359423.db2.gz LMXAIBAERCZQOJ-LJQANCHMSA-N 2 0 320.477 2.612 20 0 DFADRP C[C@@H]([NH2+]C[C@@]1(C)OCCc2sccc21)C1CC[NH+](C)CC1 ZINC000685661907 546383395 /nfs/dbraw/zinc/38/33/95/546383395.db2.gz FLXGMHSICIYHDM-CXAGYDPISA-N 2 0 308.491 2.856 20 0 DFADRP Cc1nc2ccccc2n1CC[NH2+][C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000261818067 282079728 /nfs/dbraw/zinc/07/97/28/282079728.db2.gz WJGNDXBQYHBUPG-BRWVUGGUSA-N 2 0 312.461 2.855 20 0 DFADRP C[NH+](C)CCc1ccc(NC(=O)[C@](C)([NH3+])c2ccccc2)cc1 ZINC000278326170 214092653 /nfs/dbraw/zinc/09/26/53/214092653.db2.gz VQMYZMKNQAZCAA-LJQANCHMSA-N 2 0 311.429 2.603 20 0 DFADRP CC(C)(O)CC[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000278356224 214112315 /nfs/dbraw/zinc/11/23/15/214112315.db2.gz BAHKCQQHQKVIOU-NNZMDNLPSA-N 2 0 302.462 2.933 20 0 DFADRP CCOc1ccc(C[NH2+]CC2(O)CC[NH+](C(C)C)CC2)cc1F ZINC000278505450 214198826 /nfs/dbraw/zinc/19/88/26/214198826.db2.gz OEKQQEUGZNDFPP-UHFFFAOYSA-N 2 0 324.440 2.549 20 0 DFADRP C[C@@H](CCN1CC[NH+](C)CC1)[NH2+]Cc1sccc1Cl ZINC000278684127 214323934 /nfs/dbraw/zinc/32/39/34/214323934.db2.gz IEZSSMHTVZUMON-LBPRGKRZSA-N 2 0 301.887 2.517 20 0 DFADRP C[C@H]([NH3+])C1CC[NH+](CCCc2nc(-c3cccs3)no2)CC1 ZINC000315963365 231145559 /nfs/dbraw/zinc/14/55/59/231145559.db2.gz DHMNGRBXUUXQGO-LBPRGKRZSA-N 2 0 320.462 2.790 20 0 DFADRP C[NH+](C)[C@@H]1CCCN(CC[N@@H+](C)Cc2ccc(F)cc2)CC1 ZINC000375945885 282187698 /nfs/dbraw/zinc/18/76/98/282187698.db2.gz HBVJGACMIQWACN-GOSISDBHSA-N 2 0 307.457 2.674 20 0 DFADRP Cc1nccn1[C@@H]1CCC[N@@H+](CC(=O)N(C)[C@@H](C)CC(C)C)C1 ZINC000591906358 398350075 /nfs/dbraw/zinc/35/00/75/398350075.db2.gz LKIWUFPRYOIGLB-DOTOQJQBSA-N 2 0 320.481 2.721 20 0 DFADRP CCc1c(C)[nH+]c2ccccc2c1N1CC[N@H+](CCO)[C@@H](C)C1 ZINC000302344017 529491331 /nfs/dbraw/zinc/49/13/31/529491331.db2.gz APBWHQSILLEFIE-AWEZNQCLSA-N 2 0 313.445 2.608 20 0 DFADRP c1cc(CNC2=[NH+]CCCN2)cc(C[NH+]2CCCCCC2)c1 ZINC000066243880 398364222 /nfs/dbraw/zinc/36/42/22/398364222.db2.gz KXNDOBCKKJHWPY-UHFFFAOYSA-N 2 0 300.450 2.502 20 0 DFADRP C[N@H+](CC1CC1)C[C@@H]1CC[NH+](CCC(=O)Nc2ccccc2)C1 ZINC000081633062 398364331 /nfs/dbraw/zinc/36/43/31/398364331.db2.gz FQBCNPWHAZEVJC-KRWDZBQOSA-N 2 0 315.461 2.679 20 0 DFADRP C[N@H+](CC1CC1)C[C@H]1CC[NH+](CCC(=O)Nc2ccccc2)C1 ZINC000081633066 398364400 /nfs/dbraw/zinc/36/44/00/398364400.db2.gz FQBCNPWHAZEVJC-QGZVFWFLSA-N 2 0 315.461 2.679 20 0 DFADRP COc1ccc(Br)c(C[NH+]2CCC(C[NH3+])CC2)c1 ZINC000087789321 185232072 /nfs/dbraw/zinc/23/20/72/185232072.db2.gz AFWRKHBTWTZNGU-UHFFFAOYSA-N 2 0 313.239 2.628 20 0 DFADRP CCC[N@H+](C)C[C@@H]1CCN(C(=O)CC[C@@H]([NH3+])c2ccccc2)C1 ZINC000236762889 398364819 /nfs/dbraw/zinc/36/48/19/398364819.db2.gz KBRCNLNNMJXXKG-FUHWJXTLSA-N 2 0 317.477 2.657 20 0 DFADRP C[N@H+](CC1CC1)C[C@@H]1CC[NH+](CCCOCC(F)(F)F)C1 ZINC000081631293 398363257 /nfs/dbraw/zinc/36/32/57/398363257.db2.gz CWOBJZOTPSBXDR-AWEZNQCLSA-N 2 0 308.388 2.619 20 0 DFADRP CC1CC[NH+](CCCNC(=O)CC[C@H]([NH3+])c2ccccc2)CC1 ZINC000236701122 398363358 /nfs/dbraw/zinc/36/33/58/398363358.db2.gz WSFLPXLKCDWAKX-SFHVURJKSA-N 2 0 317.477 2.705 20 0 DFADRP CC[NH+](CC)Cc1ccccc1CNC(=O)[C@H]([NH3+])CC(C)C ZINC000236908805 398365282 /nfs/dbraw/zinc/36/52/82/398365282.db2.gz VUIPFGMWGLIQLP-QGZVFWFLSA-N 2 0 305.466 2.518 20 0 DFADRP C[NH+](C)Cc1cccc(NC(=O)[C@@H]2[NH2+]CCc3ccccc32)c1 ZINC000237074490 398366137 /nfs/dbraw/zinc/36/61/37/398366137.db2.gz LHMNYBGCAPGMEW-GOSISDBHSA-N 2 0 309.413 2.574 20 0 DFADRP CC[C@H]1CCCC[N@@H+]1CCNC(=O)CC[C@@H]([NH3+])c1ccccc1 ZINC000237031797 398366926 /nfs/dbraw/zinc/36/69/26/398366926.db2.gz APZMSZLZHSIRBW-ZWKOTPCHSA-N 2 0 317.477 2.847 20 0 DFADRP CC[NH+]1CCN([C@H]2CC[N@H+](C[C@@H]3C[C@H]3c3ccccc3)C2)CC1 ZINC000459345690 299084251 /nfs/dbraw/zinc/08/42/51/299084251.db2.gz WECITSAFIPSRJY-UFYCRDLUSA-N 2 0 313.489 2.502 20 0 DFADRP CC[NH+](CC)CCOC1CC[NH+](C2CC(OC(C)C)C2)CC1 ZINC000459358134 299087740 /nfs/dbraw/zinc/08/77/40/299087740.db2.gz MVTPFBMSHNCAPO-UHFFFAOYSA-N 2 0 312.498 2.765 20 0 DFADRP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@@H+]2C[C@@H]1C[C@@H]1c1ccccc1 ZINC000355218359 282215798 /nfs/dbraw/zinc/21/57/98/282215798.db2.gz HSXNRLPNUUETLU-UTBUEMAESA-N 2 0 314.473 2.974 20 0 DFADRP CCO[C@@H]1C[C@H]([NH2+]C[C@H](C)C[NH+]2CCCCC2)[C@@H]1SC ZINC000459387735 299093701 /nfs/dbraw/zinc/09/37/01/299093701.db2.gz JWVUMFRUWRDQNS-JONQDZQNSA-N 2 0 300.512 2.607 20 0 DFADRP CC(C)OC1CC([NH+]2CCC(CCC[NH+]3CCOCC3)CC2)C1 ZINC000459398265 299096071 /nfs/dbraw/zinc/09/60/71/299096071.db2.gz APYOQSUTDBTUKY-UHFFFAOYSA-N 2 0 324.509 2.767 20 0 DFADRP C[C@@H](CC(=O)OC(C)(C)C)[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000459407939 299098992 /nfs/dbraw/zinc/09/89/92/299098992.db2.gz WFQFWIBEPQHOJN-AWEZNQCLSA-N 2 0 319.449 2.760 20 0 DFADRP CCO[C@@H]1C[C@H]([NH2+][C@H](CC[NH+](C)C)C(C)(C)C)[C@@H]1SC ZINC000459407045 299098712 /nfs/dbraw/zinc/09/87/12/299098712.db2.gz DNSVKXZBKWNJBA-YJNKXOJESA-N 2 0 302.528 2.851 20 0 DFADRP C[C@H]1C[C@@H]([NH2+]C[C@@H](c2ccccc2)C(C)(C)CO)CC[N@@H+]1C ZINC000181555557 199316842 /nfs/dbraw/zinc/31/68/42/199316842.db2.gz AFKIHRLDPSCWNF-SZMVWBNQSA-N 2 0 304.478 2.861 20 0 DFADRP C[NH+](C)C1(CNC(=O)[C@@](C)([NH3+])c2ccccc2)CCCCCC1 ZINC000278180880 214008986 /nfs/dbraw/zinc/00/89/86/214008986.db2.gz DLMUMUBZNCOSOU-SFHVURJKSA-N 2 0 317.477 2.631 20 0 DFADRP C[N@H+](CCc1nc(C2([NH3+])CCCCC2)no1)C1CCCCC1 ZINC000584774710 398410845 /nfs/dbraw/zinc/41/08/45/398410845.db2.gz NKPJFRWCIIJYBG-UHFFFAOYSA-N 2 0 306.454 2.995 20 0 DFADRP C[N@H+](CCCN1CC[NH+](C)CC1)Cc1ccc2c(c1)CCCC2 ZINC000292869944 529887808 /nfs/dbraw/zinc/88/78/08/529887808.db2.gz WHZMBYHRBYAYCO-UHFFFAOYSA-N 2 0 315.505 2.635 20 0 DFADRP CC(C)(C)OC(=O)[C@@H]1CC[C@H]([NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)C1 ZINC000592379375 398418980 /nfs/dbraw/zinc/41/89/80/398418980.db2.gz MNTKZLDTDJXLBL-QXSJWSMHSA-N 2 0 308.466 2.713 20 0 DFADRP COC(=O)c1cccc(C[N@@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)c1 ZINC000592433658 398425303 /nfs/dbraw/zinc/42/53/03/398425303.db2.gz OBQCAKCFLCEMDL-QZTJIDSGSA-N 2 0 316.445 2.685 20 0 DFADRP C[N@H+](CCCNC(=O)C[C@@H]1CCCC[C@@H]1[NH3+])Cc1ccccc1 ZINC000309750643 529889396 /nfs/dbraw/zinc/88/93/96/529889396.db2.gz ZFUOZGFDOBPDCR-ROUUACIJSA-N 2 0 317.477 2.532 20 0 DFADRP COc1ccc(C)cc1C[NH2+]CCCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000067452856 398435731 /nfs/dbraw/zinc/43/57/31/398435731.db2.gz LZSURZYEZWKVQT-IAGOWNOFSA-N 2 0 320.477 2.983 20 0 DFADRP CCO[C@@H]1C[C@@H]([NH2+]C2CCN(c3cc[nH+]cc3)CC2)[C@@H]1SC ZINC000592528890 398443654 /nfs/dbraw/zinc/44/36/54/398443654.db2.gz NHBHSIJGCNMAQD-ZACQAIPSSA-N 2 0 321.490 2.549 20 0 DFADRP Cc1cc(F)c(C[NH2+]C[C@H](C)N2CC[NH+](C)CC2)c(Cl)c1 ZINC000459436073 299106533 /nfs/dbraw/zinc/10/65/33/299106533.db2.gz WSDBGEYGXYSLFY-ZDUSSCGKSA-N 2 0 313.848 2.513 20 0 DFADRP COC(=O)[C@H](CC(C)C)[N@@H+]1CC[C@H](CNc2cc(C)cc[nH+]2)C1 ZINC000586763959 398454788 /nfs/dbraw/zinc/45/47/88/398454788.db2.gz JLVMUIWZUCGRTF-CVEARBPZSA-N 2 0 319.449 2.712 20 0 DFADRP C[N@@H+]1CCC[C@@]2(CC[NH+](CCC(=O)Nc3ccc(F)cc3)C2)C1 ZINC000292999381 530059514 /nfs/dbraw/zinc/05/95/14/530059514.db2.gz OSDGZZLKMBEOFE-GOSISDBHSA-N 2 0 319.424 2.572 20 0 DFADRP COc1ccc(OCC[NH+]2CCC(C[NH+]3CCCC3)CC2)cc1 ZINC000047972734 282380110 /nfs/dbraw/zinc/38/01/10/282380110.db2.gz MAKBQOPIVNAZDC-UHFFFAOYSA-N 2 0 318.461 2.882 20 0 DFADRP C(C[NH2+]C1CC[NH+](C2CCCCC2)CC1)COC1CCOCC1 ZINC000090083544 398478661 /nfs/dbraw/zinc/47/86/61/398478661.db2.gz GEXJPHAUBJQUNW-UHFFFAOYSA-N 2 0 324.509 2.959 20 0 DFADRP COc1ccccc1OCC[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000051907938 282398906 /nfs/dbraw/zinc/39/89/06/282398906.db2.gz NZBAMWAKJMORLQ-UHFFFAOYSA-N 2 0 318.461 2.882 20 0 DFADRP CC(C)N(C)CC[NH2+][C@@H](C)c1ccc(OCC[NH+](C)C)cc1 ZINC000155733494 535010770 /nfs/dbraw/zinc/01/07/70/535010770.db2.gz DFYTTYQQJPTNEF-INIZCTEOSA-N 2 0 307.482 2.618 20 0 DFADRP CC[N@@H+]1CC[C@@H]([NH2+]CCOCc2cccc(OC)c2)[C@H](C)C1 ZINC000090806496 398493163 /nfs/dbraw/zinc/49/31/63/398493163.db2.gz ZOEFIKPFZWHDSI-CRAIPNDOSA-N 2 0 306.450 2.532 20 0 DFADRP C[C@H](C[NH2+][C@H]1CC[N@H+](C)C[C@@H]1C)c1nc(-c2ccccc2)no1 ZINC000090911313 398496822 /nfs/dbraw/zinc/49/68/22/398496822.db2.gz SULWTAPPARYECR-YCPHGPKFSA-N 2 0 314.433 2.770 20 0 DFADRP COc1ccc(C[C@H](C)C[NH2+][C@H]2CC[N@H+](C)C[C@@H]2C)cc1OC ZINC000090936490 398497185 /nfs/dbraw/zinc/49/71/85/398497185.db2.gz CXCGYLUWINUHOG-ZOBUZTSGSA-N 2 0 320.477 2.812 20 0 DFADRP C[C@H](CCO)[NH2+][C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000272705148 210109760 /nfs/dbraw/zinc/10/97/60/210109760.db2.gz UAYMNQAZOVREFG-XGXHKWSGSA-N 2 0 302.462 2.648 20 0 DFADRP C[C@H]([NH2+]C1CCN(c2cc[nH+]cc2)CC1)c1ccncc1F ZINC000459533022 299127392 /nfs/dbraw/zinc/12/73/92/299127392.db2.gz DWWWRXUZDRJGII-ZDUSSCGKSA-N 2 0 300.381 2.935 20 0 DFADRP CC(=O)Nc1ccc([C@H](C)[NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000181941510 199366100 /nfs/dbraw/zinc/36/61/00/199366100.db2.gz FEJCJNXPBMIXIG-ZFWWWQNUSA-N 2 0 301.434 2.780 20 0 DFADRP CCCC[C@H]([NH3+])C(=O)NC[C@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000236813706 535044262 /nfs/dbraw/zinc/04/42/62/535044262.db2.gz CSXGMJGKRKFJOK-YCPHGPKFSA-N 2 0 323.506 2.765 20 0 DFADRP CC(C)[C@H](C[NH2+][C@H](c1cccnc1)C(C)C)N1CC[NH+](C)CC1 ZINC000091283359 398525192 /nfs/dbraw/zinc/52/51/92/398525192.db2.gz RFLKPKBLVGXNSU-OALUTQOASA-N 2 0 318.509 2.640 20 0 DFADRP C[C@H]([NH2+]C[C@H](O)C(C)(C)C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272646128 210051447 /nfs/dbraw/zinc/05/14/47/210051447.db2.gz JDVCOJVRWJMXKH-JQHSSLGASA-N 2 0 304.478 2.894 20 0 DFADRP CC[C@H]([NH2+]Cc1ccc(N2CC[NH+](CC)CC2)nc1)[C@H]1C[C@@H]1C ZINC000414082863 295765240 /nfs/dbraw/zinc/76/52/40/295765240.db2.gz WMINNOYUWOHHMH-SZMVWBNQSA-N 2 0 316.493 2.748 20 0 DFADRP CCOC(=O)CCCCC[N@H+](C)C[C@@H]1CCn2ccnc2C1 ZINC000589262270 398542093 /nfs/dbraw/zinc/54/20/93/398542093.db2.gz VPLADWDMLBXVDZ-OAHLLOKOSA-N 2 0 307.438 2.501 20 0 DFADRP CC(C)=CCC[C@H](C)[NH2+]CC1(N2CCOCC2)CC[NH+](C)CC1 ZINC000414206321 295777751 /nfs/dbraw/zinc/77/77/51/295777751.db2.gz YFKTWPVUBDMOIU-SFHVURJKSA-N 2 0 323.525 2.508 20 0 DFADRP C[C@H]([NH2+]CC1(C)CC[NH+](C)CC1)c1ccc([S@](C)=O)cc1 ZINC000272610206 210009690 /nfs/dbraw/zinc/00/96/90/210009690.db2.gz VZUGKALSURUGJH-QKKBWIMNSA-N 2 0 308.491 2.807 20 0 DFADRP COC(=O)c1oc(C[NH2+]CCCC[NH+]2CCC(C)CC2)cc1C ZINC000597047836 398554594 /nfs/dbraw/zinc/55/45/94/398554594.db2.gz QYTQBSHLYBJNHG-UHFFFAOYSA-N 2 0 322.449 2.976 20 0 DFADRP CC[NH+](CC)Cc1ccc(CNC(=O)[C@@H]2CCCCC[NH2+]2)cc1 ZINC000322004570 398555729 /nfs/dbraw/zinc/55/57/29/398555729.db2.gz NYLJCFOILAPDPK-SFHVURJKSA-N 2 0 317.477 2.677 20 0 DFADRP C[C@@H]1C[N@@H+](CCCC[NH2+]Cc2[nH]nc3ccccc32)C[C@H](C)O1 ZINC000589646237 398568464 /nfs/dbraw/zinc/56/84/64/398568464.db2.gz QOTGSGBIJBACFD-GASCZTMLSA-N 2 0 316.449 2.542 20 0 DFADRP C[C@H]([NH2+][C@H]1CCC[C@H](CO)C1)c1cccc(OCC[NH+](C)C)c1 ZINC000414330850 295788743 /nfs/dbraw/zinc/78/87/43/295788743.db2.gz FGHZHPGCLBKDOG-BQFCYCMXSA-N 2 0 320.477 2.829 20 0 DFADRP Cc1ncc(C[N@H+]2CC[C@H](C)[C@H](C(=O)OC(C)(C)C)C2)n1C ZINC000597156140 398577898 /nfs/dbraw/zinc/57/78/98/398577898.db2.gz WYMDOKJJHHTUHB-SWLSCSKDSA-N 2 0 307.438 2.528 20 0 DFADRP C[C@H]1C[C@@H]([NH2+]CCc2cn(C)cn2)CCN1Cc1ccccc1 ZINC000459666303 299159279 /nfs/dbraw/zinc/15/92/79/299159279.db2.gz RKFVSKXUZQCLPN-WMZOPIPTSA-N 3 0 312.461 2.605 20 0 DFADRP CC(C)n1nccc1C[NH2+]Cc1ccc(OCC[NH+](C)C)cc1 ZINC000279932709 215248327 /nfs/dbraw/zinc/24/83/27/215248327.db2.gz NEMURSCTRCKYIE-UHFFFAOYSA-N 2 0 316.449 2.694 20 0 DFADRP C[C@@H]1C[C@@H]([NH2+]CCc2cn(C)cn2)CCN1Cc1ccccc1 ZINC000459666300 299159719 /nfs/dbraw/zinc/15/97/19/299159719.db2.gz RKFVSKXUZQCLPN-AEFFLSMTSA-N 3 0 312.461 2.605 20 0 DFADRP Cc1cc(C[NH+](C)C)cc(NC(=O)C2CC[NH+](C3CC3)CC2)c1 ZINC000279981888 215287756 /nfs/dbraw/zinc/28/77/56/215287756.db2.gz VCRBBUNYVOXFSN-UHFFFAOYSA-N 2 0 315.461 2.870 20 0 DFADRP CCOC(=O)[C@]1(C)CCC[C@H]1[NH2+]C1CC[NH+](C(C)(C)C)CC1 ZINC000597240508 398602722 /nfs/dbraw/zinc/60/27/22/398602722.db2.gz OOOFSWURMSDAGV-CRAIPNDOSA-N 2 0 310.482 2.961 20 0 DFADRP CCOC(=O)[C@]1(C)CCC[C@@H]1[NH2+]C1CC[NH+](C(C)(C)C)CC1 ZINC000597240509 398603001 /nfs/dbraw/zinc/60/30/01/398603001.db2.gz OOOFSWURMSDAGV-MAUKXSAKSA-N 2 0 310.482 2.961 20 0 DFADRP C[C@@H]1CC[NH2+][C@@H](c2nc(-c3ccc(C[NH+](C)C)cc3)no2)C1 ZINC000414632519 295809295 /nfs/dbraw/zinc/80/92/95/295809295.db2.gz XUNDZFKCHWXQIS-IUODEOHRSA-N 2 0 300.406 2.859 20 0 DFADRP Cc1cccc2c1[C@@H](C)C[C@@H]2[NH2+]CCCN1CC[NH+](C)CC1 ZINC000152661903 186094989 /nfs/dbraw/zinc/09/49/89/186094989.db2.gz ZPHLOVYPGSAYLF-WMZOPIPTSA-N 2 0 301.478 2.770 20 0 DFADRP C[C@@H]1C[C@H]([NH2+]CC(C)(C)N2CCc3ccccc3C2)CC[N@@H+]1C ZINC000155663714 186100691 /nfs/dbraw/zinc/10/06/91/186100691.db2.gz CCBQFJKZWRUCTL-VQIMIIECSA-N 2 0 315.505 2.896 20 0 DFADRP C[C@@H]([NH2+]CC1=CCCOC1)c1cccc(OCC[NH+](C)C)c1 ZINC000287176971 219361441 /nfs/dbraw/zinc/36/14/41/219361441.db2.gz UYODLAJWUIWKBP-OAHLLOKOSA-N 2 0 304.434 2.624 20 0 DFADRP CCC[N@H+](CC)CCNC(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000175701606 186189760 /nfs/dbraw/zinc/18/97/60/186189760.db2.gz TVEKZWZHCNOKRZ-UHFFFAOYSA-N 2 0 306.454 2.602 20 0 DFADRP CC(C)[NH+]1CCC(C(=O)NC[C@H](c2ccsc2)[NH+](C)C)CC1 ZINC000072883644 398645382 /nfs/dbraw/zinc/64/53/82/398645382.db2.gz RRBCXTGENLPIOG-MRXNPFEDSA-N 2 0 323.506 2.587 20 0 DFADRP COC(=O)[C@@H]1CCC[C@@H]1[NH2+]C1CC[NH+]([C@@H]2CCC[C@H](C)C2)CC1 ZINC000590658600 398647400 /nfs/dbraw/zinc/64/74/00/398647400.db2.gz UOOGCOMDGBYESH-HPBDAGMYSA-N 2 0 322.493 2.961 20 0 DFADRP Cc1cccc(CN2CC[NH+](C[C@@H]3CC[NH2+][C@@H](C)C3)CC2)c1 ZINC000414672568 295814326 /nfs/dbraw/zinc/81/43/26/295814326.db2.gz ATNFYYRQSHVZBI-PKOBYXMFSA-N 2 0 301.478 2.501 20 0 DFADRP CC[N@@H+]1CCC[C@@H]1CN[C@@H]1CC[NH+](Cc2ccccc2)C[C@H]1C ZINC000268754006 186379880 /nfs/dbraw/zinc/37/98/80/186379880.db2.gz YVZKTEUGQFDVQA-MISYRCLQSA-N 2 0 315.505 2.971 20 0 DFADRP C[N@@H+]1CCC[C@@H](CC[NH2+]C2CCN(c3ccccc3)CC2)C1 ZINC000459725956 299174086 /nfs/dbraw/zinc/17/40/86/299174086.db2.gz FSSVTXWNSIPOKB-KRWDZBQOSA-N 2 0 301.478 2.977 20 0 DFADRP C[C@@H]1CN(Cc2ccccc2)C[C@H]1[NH2+]CC[C@H]1CCC[N@H+](C)C1 ZINC000459730583 299174801 /nfs/dbraw/zinc/17/48/01/299174801.db2.gz KSDTXGZNWMQZKQ-MISYRCLQSA-N 2 0 315.505 2.828 20 0 DFADRP COc1cccc2c1CC[C@H]([NH2+]CC[C@H]1CCC[N@H+](C)C1)C2 ZINC000459733028 299175449 /nfs/dbraw/zinc/17/54/49/299175449.db2.gz GFEIBQOZKPDAGD-WBVHZDCISA-N 2 0 302.462 2.874 20 0 DFADRP CCN(CC)c1ncc(C[NH2+]CC[C@@H]2CCC[N@H+](C)C2)s1 ZINC000459732054 299176010 /nfs/dbraw/zinc/17/60/10/299176010.db2.gz LZTXTJTXXWIIGY-AWEZNQCLSA-N 2 0 310.511 2.811 20 0 DFADRP C[C@@H]1C[C@H]([NH2+]CC[C@H]2CCC[N@H+](C)C2)CN1Cc1ccccc1 ZINC000459734301 299176514 /nfs/dbraw/zinc/17/65/14/299176514.db2.gz OKTLQMQYOZWAIA-RLLQIKCJSA-N 2 0 315.505 2.971 20 0 DFADRP CCCOc1c(Cl)cc(C[NH2+]CC[C@H](C)[NH3+])cc1OC ZINC000414818591 295821634 /nfs/dbraw/zinc/82/16/34/295821634.db2.gz FNALAODWGFLITO-NSHDSACASA-N 2 0 300.830 2.964 20 0 DFADRP c1cc(COc2ccc(C[NH2+]CC[C@@H]3CC[NH2+]C3)cc2)ccn1 ZINC000414832202 295823520 /nfs/dbraw/zinc/82/35/20/295823520.db2.gz OBDMQWSKODUHED-QGZVFWFLSA-N 2 0 311.429 2.750 20 0 DFADRP COc1ccc(C[C@H](C)C[NH2+]CC[C@H]2CCC[NH2+]C2)cc1F ZINC000414835927 295824188 /nfs/dbraw/zinc/82/41/88/295824188.db2.gz ITCPLKSHKVLQSA-LSDHHAIUSA-N 2 0 308.441 2.992 20 0 DFADRP C[NH2+]C[C@@H](C)C[NH2+]Cc1ccc(OCC(F)(F)F)c(F)c1 ZINC000414843216 295825160 /nfs/dbraw/zinc/82/51/60/295825160.db2.gz PXFWBNGGIULAFL-SNVBAGLBSA-N 2 0 308.319 2.712 20 0 DFADRP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)C[C@H](C)Cc2ccccc2)CC1 ZINC000182038383 199378110 /nfs/dbraw/zinc/37/81/10/199378110.db2.gz VFQKRSMJBQNYQY-QZTJIDSGSA-N 2 0 318.505 2.890 20 0 DFADRP Cc1cccc(NC(=O)C[C@@H](C)[NH2+]CC[C@@H]2CCC[NH2+]C2)c1C ZINC000414847161 295825580 /nfs/dbraw/zinc/82/55/80/295825580.db2.gz VIMZVZJJKRNKHV-WBVHZDCISA-N 2 0 317.477 3.000 20 0 DFADRP c1nc(-c2ccncc2)sc1C[NH2+]CC[C@@H]1CCC[NH2+]C1 ZINC000414850281 295825815 /nfs/dbraw/zinc/82/58/15/295825815.db2.gz MKLTYMKRSZSBMP-ZDUSSCGKSA-N 2 0 302.447 2.684 20 0 DFADRP COc1cc(C[NH2+][C@H](C)[C@H]2CCC[NH2+]C2)c(SC)cc1OC ZINC000414851443 295826206 /nfs/dbraw/zinc/82/62/06/295826206.db2.gz JIWMVLRALNGIBS-OLZOCXBDSA-N 2 0 324.490 2.903 20 0 DFADRP CC[NH+](CC)Cc1ccc(C(=O)NCC(C)(C)[NH+](C)C)cc1 ZINC000045013044 398659753 /nfs/dbraw/zinc/65/97/53/398659753.db2.gz IMJAMWAEXSHKOB-UHFFFAOYSA-N 2 0 305.466 2.598 20 0 DFADRP COc1cc(C[NH2+][C@@H](C)[C@H]2CCC[NH2+]C2)ccc1OC(F)F ZINC000414846230 295825487 /nfs/dbraw/zinc/82/54/87/295825487.db2.gz DVDIESSDBMYAQA-AAEUAGOBSA-N 2 0 314.376 2.774 20 0 DFADRP CC(C)n1ncc2cc(C[NH2+]CC[C@@H]3CCC[N@H+](C)C3)cnc21 ZINC000459746964 299180484 /nfs/dbraw/zinc/18/04/84/299180484.db2.gz ZITOCQJLPMLMFP-HNNXBMFYSA-N 2 0 315.465 2.834 20 0 DFADRP CCOC(=O)[C@@H]1CC[C@H]([NH2+]CCC[N@H+](C)CC(C)C)C[C@@H]1C ZINC000593647345 398664898 /nfs/dbraw/zinc/66/48/98/398664898.db2.gz XPECNBJOPFZKAI-YESZJQIVSA-N 2 0 312.498 2.922 20 0 DFADRP Cn1cc(C[NH2+]C[C@@]2(C)CCC[NH2+]C2)c(-c2cccs2)n1 ZINC000414897095 295831721 /nfs/dbraw/zinc/83/17/21/295831721.db2.gz DHKVOWACMGNJQP-INIZCTEOSA-N 2 0 304.463 2.628 20 0 DFADRP C[C@@H](Cc1ccc(Br)c(F)c1)[NH2+]C[C@H]1CC[NH2+]C1 ZINC000414897969 295831936 /nfs/dbraw/zinc/83/19/36/295831936.db2.gz ALIJGQPAWMBGJG-JQWIXIFHSA-N 2 0 315.230 2.718 20 0 DFADRP COc1ccc(C[C@@H](C)[NH2+]CC2(C)CC[NH2+]CC2)cc1OC ZINC000414912058 295834048 /nfs/dbraw/zinc/83/40/48/295834048.db2.gz USTZDVLZSQQJLG-CQSZACIVSA-N 2 0 306.450 2.614 20 0 DFADRP C[C@@H](CC(=O)Nc1ccccc1C(F)(F)F)[NH2+]CCCC[NH3+] ZINC000414914498 295834250 /nfs/dbraw/zinc/83/42/50/295834250.db2.gz XKGMSCXBYAPULY-NSHDSACASA-N 2 0 317.355 2.751 20 0 DFADRP COCC[NH+]1CCC(Nc2ccc(C[NH+](C)C)c(C)c2)CC1 ZINC000459760490 299184388 /nfs/dbraw/zinc/18/43/88/299184388.db2.gz MPJXVNJGWGFYFP-UHFFFAOYSA-N 2 0 305.466 2.579 20 0 DFADRP CC1(C)CCC[NH2+][C@@H]1CN[C@@H]1CC[NH2+][C@H](c2ccccc2)C1 ZINC000414923014 295835419 /nfs/dbraw/zinc/83/54/19/295835419.db2.gz DOFDIXKJNZKEQN-FGTMMUONSA-N 2 0 301.478 2.848 20 0 DFADRP COc1ccc(C[C@H](C)[NH2+]CCC[C@H]2CCC[NH2+]2)cc1OC ZINC000414961605 295841112 /nfs/dbraw/zinc/84/11/12/295841112.db2.gz IVSDEQDLPTVBBC-HOCLYGCPSA-N 2 0 306.450 2.757 20 0 DFADRP C[C@H]1C[NH2+]CC[C@H]1[NH2+]Cc1ccc(OCC(F)(F)F)c(F)c1 ZINC000414966902 295842100 /nfs/dbraw/zinc/84/21/00/295842100.db2.gz WTNPVBPJKWIACZ-GXFFZTMASA-N 2 0 320.330 2.854 20 0 DFADRP Cn1cc(-c2ccc(C[NH2+]CCC[C@H]3CCC[NH2+]3)s2)cn1 ZINC000414959923 295841284 /nfs/dbraw/zinc/84/12/84/295841284.db2.gz GBTSCCAKEODRBS-AWEZNQCLSA-N 2 0 304.463 2.770 20 0 DFADRP COC(=O)c1ccc(Cl)c(C[NH2+]CCC[C@H]2CCC[NH2+]2)c1 ZINC000414964185 295841784 /nfs/dbraw/zinc/84/17/84/295841784.db2.gz LXWXRVROOYMSCK-AWEZNQCLSA-N 2 0 310.825 2.748 20 0 DFADRP COCC1(C[NH2+][C@@H](C)CCc2ccccc2F)CC[NH2+]CC1 ZINC000414973081 295842664 /nfs/dbraw/zinc/84/26/64/295842664.db2.gz KVCCDHFNZMDQKN-HNNXBMFYSA-N 2 0 308.441 2.753 20 0 DFADRP COc1ccc(NC(=O)C[C@H](C)[NH2+]CCC[C@H]2CCC[NH2+]2)cc1 ZINC000414967092 295842186 /nfs/dbraw/zinc/84/21/86/295842186.db2.gz GVKWDVBMDJRDPM-GJZGRUSLSA-N 2 0 319.449 2.534 20 0 DFADRP COCC1(C[NH2+]C[C@H](C)CCc2ccccc2)CC[NH2+]CC1 ZINC000414973591 295843195 /nfs/dbraw/zinc/84/31/95/295843195.db2.gz LEYICDFPWIWYDR-QGZVFWFLSA-N 2 0 304.478 2.861 20 0 DFADRP [NH3+]C[C@H]1CC[C@H](C[NH2+]Cc2cncc(Br)c2)CC1 ZINC000415018119 295847651 /nfs/dbraw/zinc/84/76/51/295847651.db2.gz BJSAIFFLBGNCKI-HAQNSBGRSA-N 2 0 312.255 2.699 20 0 DFADRP [NH3+]C[C@H]1CC[C@H](C[NH2+]Cc2cc(Cl)c3c(c2)OCCO3)CC1 ZINC000415027201 295848408 /nfs/dbraw/zinc/84/84/08/295848408.db2.gz VXLMDZOADSRMLC-JOCQHMNTSA-N 2 0 324.852 2.966 20 0 DFADRP [NH3+]CCC[C@H]([NH2+]Cc1cc(C(F)(F)F)n[nH]1)c1ccccc1 ZINC000415047080 295850960 /nfs/dbraw/zinc/85/09/60/295850960.db2.gz DQCITCRVWOXLBT-ZDUSSCGKSA-N 2 0 312.339 2.998 20 0 DFADRP [NH3+]CCC[C@@H]([NH2+]Cc1cc(C(F)(F)F)n[nH]1)c1ccccc1 ZINC000415047078 295851039 /nfs/dbraw/zinc/85/10/39/295851039.db2.gz DQCITCRVWOXLBT-CYBMUJFWSA-N 2 0 312.339 2.998 20 0 DFADRP [NH3+]C[C@@H]1CC[C@H]([NH2+]Cc2ccccc2OCC(F)(F)F)C1 ZINC000415050276 295851352 /nfs/dbraw/zinc/85/13/52/295851352.db2.gz YEUMMJURPJMNOT-YPMHNXCESA-N 2 0 302.340 2.845 20 0 DFADRP CCOc1cc(C[NH2+][C@H](C)CCC[NH3+])cc(Cl)c1OC ZINC000415050117 295851380 /nfs/dbraw/zinc/85/13/80/295851380.db2.gz BFZBWIVACUASFJ-LLVKDONJSA-N 2 0 300.830 2.964 20 0 DFADRP CSc1ccc([C@H](C)[NH2+][C@@H](C)CN2CC[NH+](C)CC2)cc1 ZINC000173399748 198210951 /nfs/dbraw/zinc/21/09/51/198210951.db2.gz SLICFNNYXDUHBL-GJZGRUSLSA-N 2 0 307.507 2.695 20 0 DFADRP C[C@H]([NH2+]C[C@H]1CC[NH2+][C@H](C)C1)c1cccc(N2CCCC2=O)c1 ZINC000415077346 295854949 /nfs/dbraw/zinc/85/49/49/295854949.db2.gz DSSUMTYADOAFOG-PMPSAXMXSA-N 2 0 315.461 2.852 20 0 DFADRP COc1ccccc1N1CCC([NH2+][C@H](C)C[C@@H]2CCC[NH2+]2)CC1 ZINC000415077542 295855082 /nfs/dbraw/zinc/85/50/82/295855082.db2.gz FKAMPNGUKNVJAN-WBVHZDCISA-N 2 0 317.477 2.784 20 0 DFADRP CC1CCN(c2ccc(C[NH2+]C[C@H]3CC[NH2+][C@H](C)C3)cn2)CC1 ZINC000415080309 295855536 /nfs/dbraw/zinc/85/55/36/295855536.db2.gz IVUMVVAKOIHPFO-SJORKVTESA-N 2 0 316.493 2.796 20 0 DFADRP C[C@H]1C[C@@H](C[NH2+]Cc2cccnc2OCC(F)(F)F)CC[NH2+]1 ZINC000415081657 295855675 /nfs/dbraw/zinc/85/56/75/295855675.db2.gz KRGLULDSLBFUBF-RYUDHWBXSA-N 2 0 317.355 2.500 20 0 DFADRP C[C@H]([NH2+]C[C@H]1CC[NH2+][C@H](C)C1)c1nc(-c2cccc(F)c2)no1 ZINC000415094028 295857083 /nfs/dbraw/zinc/85/70/83/295857083.db2.gz DEHJXYZLGWMUSP-AGIUHOORSA-N 2 0 318.396 2.914 20 0 DFADRP COc1ccc(C[NH+]2CCC([C@@H]3C[C@@H]([NH3+])CCO3)CC2)cc1F ZINC000415124682 295861472 /nfs/dbraw/zinc/86/14/72/295861472.db2.gz NAGMIUACZLRRRD-YJBOKZPZSA-N 2 0 322.424 2.553 20 0 DFADRP C[N@H+](Cc1ccco1)Cc1ccccc1C[NH2+]Cc1cncnc1 ZINC000174451878 198336448 /nfs/dbraw/zinc/33/64/48/198336448.db2.gz ADHFMEBURZHSQC-UHFFFAOYSA-N 2 0 322.412 2.991 20 0 DFADRP COc1ccc(C[NH+]2CCC([C@H]3OCCC[C@H]3[NH3+])CC2)cc1C ZINC000415130350 295862574 /nfs/dbraw/zinc/86/25/74/295862574.db2.gz QPQUBGPRIOWGGZ-IEBWSBKVSA-N 2 0 318.461 2.722 20 0 DFADRP [NH3+][C@@H]1CCO[C@@H](C2CC[NH+](Cc3ccc4c(c3)CCC4)CC2)C1 ZINC000415131081 295862580 /nfs/dbraw/zinc/86/25/80/295862580.db2.gz YLJPOILRUOPSJQ-WOJBJXKFSA-N 2 0 314.473 2.894 20 0 DFADRP C[C@H](NC(=O)[C@@H]1CC[N@H+](C)[C@H](C)C1)[C@@H](c1ccccc1)[NH+](C)C ZINC000355790048 299211082 /nfs/dbraw/zinc/21/10/82/299211082.db2.gz HRXFRWYECGELJL-ATLSCFEFSA-N 2 0 317.477 2.524 20 0 DFADRP CCC[NH+]1CCC(CNC(=O)[C@@H](C)[C@@H]([NH3+])c2ccccc2)CC1 ZINC000236770515 202000647 /nfs/dbraw/zinc/00/06/47/202000647.db2.gz RELXAYCVJYRICI-MAUKXSAKSA-N 2 0 317.477 2.561 20 0 DFADRP C[NH+](C)Cc1ccc(C(=O)NC2CCC(C[NH+](C)C)CC2)cc1 ZINC000129432002 283014798 /nfs/dbraw/zinc/01/47/98/283014798.db2.gz NDNZQXZNYKAFIM-UHFFFAOYSA-N 2 0 317.477 2.598 20 0 DFADRP C[C@@H]1CCCC[N@@H+]1Cc1ccc(NC(=O)C[C@@H]2CC[NH2+]C2)cc1 ZINC000130382030 283047712 /nfs/dbraw/zinc/04/77/12/283047712.db2.gz UEKKCVCDVJOAOV-WBVHZDCISA-N 2 0 315.461 2.999 20 0 DFADRP CC(C)(C[NH2+]C1CCN(c2ccccn2)CC1)C[NH+]1CCCC1 ZINC000276975711 213213382 /nfs/dbraw/zinc/21/33/82/213213382.db2.gz YHDXXCQJFCLJSQ-UHFFFAOYSA-N 2 0 316.493 2.762 20 0 DFADRP CC[N@H+](CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C)CC(C)(C)C ZINC000463372592 299237049 /nfs/dbraw/zinc/23/70/49/299237049.db2.gz SZLHCXHVUBPRTF-KRWDZBQOSA-N 2 0 319.493 2.774 20 0 DFADRP CC[NH+](CC)CC1CC[NH+](CC(=O)N2[C@@H](C)CCC[C@@H]2C)CC1 ZINC000047973886 398766959 /nfs/dbraw/zinc/76/69/59/398766959.db2.gz DANCHUNHHGYEQV-IRXDYDNUSA-N 2 0 323.525 2.830 20 0 DFADRP COC(=O)CCC[C@@H]1CCC[C@@H]([NH2+][C@@H]2CC23CC[NH2+]CC3)C1 ZINC000591581262 398773842 /nfs/dbraw/zinc/77/38/42/398773842.db2.gz PJHFGNIRECWSRO-ARFHVFGLSA-N 2 0 308.466 2.620 20 0 DFADRP CC[C@@H]([NH2+][C@@H]1CC12CC[NH2+]CC2)c1ccc(C(=O)OC)cc1 ZINC000591580016 398773934 /nfs/dbraw/zinc/77/39/34/398773934.db2.gz GUVARVLKRZNEFR-HZPDHXFCSA-N 2 0 302.418 2.656 20 0 DFADRP C[C@H](NC(=O)C[C@H](c1ccccc1)[NH+](C)C)C(C)(C)C[NH+](C)C ZINC000416155757 295925176 /nfs/dbraw/zinc/92/51/76/295925176.db2.gz NEQDETWHYCWCMW-DOTOQJQBSA-N 2 0 319.493 2.772 20 0 DFADRP Cc1cc(C)c(NC(=O)N(CC[NH+](C)C)CC[NH+](C)C)c(C)c1 ZINC000119669071 398777174 /nfs/dbraw/zinc/77/71/74/398777174.db2.gz NAPCBVWTTDHLOE-UHFFFAOYSA-N 2 0 320.481 2.569 20 0 DFADRP CCC[C@H]([NH3+])C(=O)NCc1cccc(C[NH+]2CCC(C)CC2)c1 ZINC000236889846 202055386 /nfs/dbraw/zinc/05/53/86/202055386.db2.gz FHLCBRWGDNTPPD-SFHVURJKSA-N 2 0 317.477 2.662 20 0 DFADRP CC[C@]1(C(=O)N2CCC[N@H+](CC3CCCCC3)CC2)CCC[NH2+]1 ZINC000134577433 283193016 /nfs/dbraw/zinc/19/30/16/283193016.db2.gz DTFIBWMINNJROL-LJQANCHMSA-N 2 0 321.509 2.633 20 0 DFADRP CC[NH+]1CCN(CCC[NH2+]Cc2ccc([C@@H]3C[C@@H]3C)o2)CC1 ZINC000236944486 202084505 /nfs/dbraw/zinc/08/45/05/202084505.db2.gz JPJASPTVQGNLQN-DOTOQJQBSA-N 2 0 305.466 2.520 20 0 DFADRP CC[NH+](CC)Cc1ccc(CNC(=O)[C@@H]2CCC[C@@H]([NH3+])C2)cc1 ZINC000236918021 202070114 /nfs/dbraw/zinc/07/01/14/202070114.db2.gz ZWFQTGHFFAZJOY-QZTJIDSGSA-N 2 0 317.477 2.662 20 0 DFADRP CC[C@@H](C)[C@@H]([NH3+])C(=O)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000236988732 202109664 /nfs/dbraw/zinc/10/96/64/202109664.db2.gz LUSUVNZPGMJHRE-CRAIPNDOSA-N 2 0 317.477 2.662 20 0 DFADRP CCC(CC)[N@@H+](CC(=O)NC1CC[NH+](CC)CC1)CC(C)C ZINC000464891954 299248722 /nfs/dbraw/zinc/24/87/22/299248722.db2.gz HJYXIFMQYLEYEF-UHFFFAOYSA-N 2 0 311.514 2.734 20 0 DFADRP CC[N@H+](Cc1ccc(C(=O)NC[C@H]2CCC[NH2+]C2)cc1)C(C)C ZINC000236995192 202114157 /nfs/dbraw/zinc/11/41/57/202114157.db2.gz UYIRWNLXTWPMPB-KRWDZBQOSA-N 2 0 317.477 2.646 20 0 DFADRP CC[C@H](C)[C@H]([NH3+])C(=O)NC[C@@H](c1ccc(C)cc1)[NH+]1CCCC1 ZINC000237043890 202132590 /nfs/dbraw/zinc/13/25/90/202132590.db2.gz SKDHOPPFXJTJKW-SZMVWBNQSA-N 2 0 317.477 2.622 20 0 DFADRP CC[C@@H](C)[C@@H]([NH3+])C(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000237018563 202124626 /nfs/dbraw/zinc/12/46/26/202124626.db2.gz WNSASFVPVYDXRX-CZUORRHYSA-N 2 0 321.490 2.547 20 0 DFADRP CC[NH2+]Cc1ccccc1NC(=O)C[C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000237054649 202137914 /nfs/dbraw/zinc/13/79/14/202137914.db2.gz IYYNDKOJLARWGV-LSDHHAIUSA-N 2 0 303.450 2.760 20 0 DFADRP C[NH2+]CCCC(=O)NC[C@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC000237172047 202175546 /nfs/dbraw/zinc/17/55/46/202175546.db2.gz SIQNBSLWJFYROL-MRXNPFEDSA-N 2 0 323.868 2.593 20 0 DFADRP CC(C)c1ccc(CC[NH2+]CCCC[NH+]2CCN(C)CC2)cc1 ZINC000138071375 283255679 /nfs/dbraw/zinc/25/56/79/283255679.db2.gz ONJHPDPHNZLHOI-UHFFFAOYSA-N 2 0 317.521 2.970 20 0 DFADRP COC(=O)C[C@@H]1CC[C@H]([NH2+]CCCCC[NH+]2CCCC2)[C@H]1C ZINC000339499016 291120878 /nfs/dbraw/zinc/12/08/78/291120878.db2.gz XNJIIDDMZXJYCK-ULQDDVLXSA-N 2 0 310.482 2.820 20 0 DFADRP C[C@H](C[NH2+]C1CCN(c2cc[nH+]cc2)CC1)C(=O)OC(C)(C)C ZINC000594613681 398832942 /nfs/dbraw/zinc/83/29/42/398832942.db2.gz QMGOQPDJISRUDQ-CQSZACIVSA-N 2 0 319.449 2.618 20 0 DFADRP CC[C@@](C)(O)C[NH2+][C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000180164548 199125182 /nfs/dbraw/zinc/12/51/82/199125182.db2.gz RTVHIXHQPCSCDJ-INDMIFKZSA-N 2 0 302.462 2.648 20 0 DFADRP CC(C)C[C@@H](C[NH+](C)C)NC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000467613378 299274061 /nfs/dbraw/zinc/27/40/61/299274061.db2.gz LTINSLFITNSWFO-IRXDYDNUSA-N 2 0 323.525 2.734 20 0 DFADRP COC(=O)c1cccc(C[NH+]2CCC([C@@H]3CCC[NH2+]C3)CC2)c1 ZINC000594734533 398850991 /nfs/dbraw/zinc/85/09/91/398850991.db2.gz AMPSSFSSYXZBBU-GOSISDBHSA-N 2 0 316.445 2.685 20 0 DFADRP CSCC[NH2+]Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000132730367 398857442 /nfs/dbraw/zinc/85/74/42/398857442.db2.gz FLVSEGSCRZLLDV-UHFFFAOYSA-N 2 0 307.507 2.670 20 0 DFADRP CC[NH+]1CCN([C@H](C)C[NH2+][C@H](C)c2ccc(F)c(OC)c2)CC1 ZINC000152910249 283344726 /nfs/dbraw/zinc/34/47/26/283344726.db2.gz IXGYCONGNPNUTG-HUUCEWRRSA-N 2 0 323.456 2.511 20 0 DFADRP COc1ccc2c(c1)[C@@H]([NH2+][C@H]1CN(C3CC3)C[C@@H]1C)CCO2 ZINC000468019510 299275601 /nfs/dbraw/zinc/27/56/01/299275601.db2.gz IMZJYIALLVFKRS-ZLIFDBKOSA-N 2 0 302.418 2.591 20 0 DFADRP O[C@H]1CC[N@H+](Cc2ccccc2C[NH2+]C[C@H]2C[C@@H]3C=C[C@H]2C3)C1 ZINC000180998724 199238593 /nfs/dbraw/zinc/23/85/93/199238593.db2.gz UIIBQTIFNBAXCB-GJJHYRHESA-N 2 0 312.457 2.555 20 0 DFADRP C[C@H](C(=O)NC1CC[NH+](C(C)(C)C)CC1)[NH+]1CCCCCC1 ZINC000175562825 283408164 /nfs/dbraw/zinc/40/81/64/283408164.db2.gz GYHKRKYBAYJWTD-OAHLLOKOSA-N 2 0 309.498 2.630 20 0 DFADRP CC(C)[C@@H](C[NH2+][C@@H](C)CN1CC[NH+](C)CC1)c1ccccc1 ZINC000280793910 215873073 /nfs/dbraw/zinc/87/30/73/215873073.db2.gz GSLQSKXBEGJLOJ-PKOBYXMFSA-N 2 0 303.494 2.652 20 0 DFADRP CCOC(=O)c1[nH]c(C)c(C[NH2+]C[C@@H]2CC[N@@H+](C(C)C)C2)c1C ZINC000598959996 398897580 /nfs/dbraw/zinc/89/75/80/398897580.db2.gz PGTLEZVHTNNTEW-HNNXBMFYSA-N 2 0 321.465 2.628 20 0 DFADRP CCO[C@@H](CC[NH+](C)C)C[NH2+][C@@H](c1cccnc1)C1CCC1 ZINC000280947129 215982901 /nfs/dbraw/zinc/98/29/01/215982901.db2.gz SXGXHZRMSVYFQG-ZWKOTPCHSA-N 2 0 305.466 2.869 20 0 DFADRP C[C@H](C(=O)NCCC[NH+]1CCCCCC1)[C@@H]([NH3+])c1ccccc1 ZINC000237433309 202263991 /nfs/dbraw/zinc/26/39/91/202263991.db2.gz ZKEMTOPJHTYLHY-FUHWJXTLSA-N 2 0 317.477 2.705 20 0 DFADRP C[C@@H]([NH2+]CC1(C(=O)OC(C)(C)C)CCC1)C1CC[NH+](C)CC1 ZINC000595099369 398905525 /nfs/dbraw/zinc/90/55/25/398905525.db2.gz LXEMHFGHJMLJSH-CQSZACIVSA-N 2 0 310.482 2.818 20 0 DFADRP C[N@@H+]1CC[C@H]([NH2+]CC2(C(=O)OC(C)(C)C)CCC2)CC1(C)C ZINC000598985857 398903594 /nfs/dbraw/zinc/90/35/94/398903594.db2.gz BMSDTGBFHHXPOV-AWEZNQCLSA-N 2 0 310.482 2.961 20 0 DFADRP C[NH+]1CCC(O)(C[NH2+]Cc2ccc(-c3ccc(F)cc3)o2)CC1 ZINC000077450288 398904571 /nfs/dbraw/zinc/90/45/71/398904571.db2.gz WNMATQZFQRVMFZ-UHFFFAOYSA-N 2 0 318.392 2.632 20 0 DFADRP C[N@@H+]1CC[C@H]([NH2+]CC2(C(=O)OC(C)(C)C)CCC2)[C@H]2CCC[C@@H]21 ZINC000595098124 398904773 /nfs/dbraw/zinc/90/47/73/398904773.db2.gz AUCJZVWRIQIZAG-PMPSAXMXSA-N 2 0 322.493 2.961 20 0 DFADRP CC[NH+](CC)[C@H](CNC(=O)c1coc(C[NH3+])c1)c1ccccc1 ZINC000187167785 200070737 /nfs/dbraw/zinc/07/07/37/200070737.db2.gz ILDLYOUVWKBLOI-QGZVFWFLSA-N 2 0 315.417 2.551 20 0 DFADRP COC(=O)CC1CCC([NH2+]CC[C@@H](C)[NH+]2CCCCC2)CC1 ZINC000599046003 398912887 /nfs/dbraw/zinc/91/28/87/398912887.db2.gz VEGFDFGRVBQLCI-KLAILNCOSA-N 2 0 310.482 2.962 20 0 DFADRP C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C[C@@H]([NH3+])c1ccccc1 ZINC000237519656 202268728 /nfs/dbraw/zinc/26/87/28/202268728.db2.gz XZAMSJKPMYJAIV-UIBIWLFHSA-N 2 0 317.477 2.559 20 0 DFADRP C[C@H]1C[C@@H](NC(=O)c2ccc(C[NH3+])cc2)C[N@@H+]1Cc1ccccc1 ZINC000237534552 202273669 /nfs/dbraw/zinc/27/36/69/202273669.db2.gz CDRGRKDFEZUIRS-HNAYVOBHSA-N 2 0 323.440 2.538 20 0 DFADRP C[C@H]1CCC[N@H+](Cc2ccc(NC(=O)[C@@H]3CCCC[NH2+]3)cc2)C1 ZINC000237675943 202326102 /nfs/dbraw/zinc/32/61/02/202326102.db2.gz BBYCLUNQXBPGKC-YJBOKZPZSA-N 2 0 315.461 2.999 20 0 DFADRP C[NH+]1CCN(c2ccc(C[NH2+][C@@H]3CCC34CCCC4)cn2)CC1 ZINC000189055906 200342218 /nfs/dbraw/zinc/34/22/18/200342218.db2.gz ONFPPRJURFTZES-QGZVFWFLSA-N 2 0 314.477 2.646 20 0 DFADRP C[C@H](C[NH2+][C@@H](C)[C@@H]1C[C@H]1c1cccs1)CN1CC[NH+](C)CC1 ZINC000417318637 296009475 /nfs/dbraw/zinc/00/94/75/296009475.db2.gz ZJJWEKNSIGRXAD-LTIDMASMSA-N 2 0 321.534 2.713 20 0 DFADRP COCC[N@H+](C)CCC[NH2+]Cc1ccc2nc(C)ccc2c1 ZINC000189250524 200369645 /nfs/dbraw/zinc/36/96/45/200369645.db2.gz WNOAZLNRTBNKRN-UHFFFAOYSA-N 2 0 301.434 2.601 20 0 DFADRP COC(=O)[C@@H](C)C[N@H+](CC[C@@H]1CCC[NH+]1C)Cc1ccccc1 ZINC000125071554 291217880 /nfs/dbraw/zinc/21/78/80/291217880.db2.gz MLHDBDCHMWWXNJ-WMZOPIPTSA-N 2 0 318.461 2.782 20 0 DFADRP C[C@@H](CNc1cc[nH+]c2cc(F)ccc12)C[NH+]1CCOCC1 ZINC000077995714 398934072 /nfs/dbraw/zinc/93/40/72/398934072.db2.gz NRCOXLVBEWYFLD-ZDUSSCGKSA-N 2 0 303.381 2.754 20 0 DFADRP C[C@@H](NCC1([NH+](C)C)CC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000417356341 296013507 /nfs/dbraw/zinc/01/35/07/296013507.db2.gz PFVPUVGQLAZYEE-AEFFLSMTSA-N 2 0 301.478 2.581 20 0 DFADRP CCCC[NH+]1CCC(NC(=O)NCC2([NH3+])CCCCCC2)CC1 ZINC000417386060 296015729 /nfs/dbraw/zinc/01/57/29/296015729.db2.gz DULUDTIECNMIOB-UHFFFAOYSA-N 2 0 324.513 2.602 20 0 DFADRP c1cc(OCC2CC2)ccc1C[NH2+]CCCC[NH+]1CCOCC1 ZINC000190774510 200584540 /nfs/dbraw/zinc/58/45/40/200584540.db2.gz FWMRKLLGADFXHY-UHFFFAOYSA-N 2 0 318.461 2.677 20 0 DFADRP c1ccc2c(c1)[nH+]ccc2N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000078250026 398944110 /nfs/dbraw/zinc/94/41/10/398944110.db2.gz MBNPIDKQUMWONY-MRXNPFEDSA-N 2 0 311.429 2.783 20 0 DFADRP C[N@@H+]1CC[C@@]2(C1)CCC[NH+](CCCCC(=O)OC(C)(C)C)C2 ZINC000595504972 398952030 /nfs/dbraw/zinc/95/20/30/398952030.db2.gz NZMDMQIMYUGTAP-GOSISDBHSA-N 2 0 310.482 2.916 20 0 DFADRP C[N@@H+]1CC[C@]2(C1)CCC[NH+](CCCCC(=O)OC(C)(C)C)C2 ZINC000595504973 398952291 /nfs/dbraw/zinc/95/22/91/398952291.db2.gz NZMDMQIMYUGTAP-SFHVURJKSA-N 2 0 310.482 2.916 20 0 DFADRP COc1cccc(C[C@H]([NH2+]CC2=CC[N@H+](C)CC2)C2CC2)c1 ZINC000271897516 209306455 /nfs/dbraw/zinc/30/64/55/209306455.db2.gz UQTPMRJMHYKEJX-IBGZPJMESA-N 2 0 300.446 2.868 20 0 DFADRP C[C@H]1C[C@@H](N(C)Cc2cccc(Br)n2)CC[N@@H+]1C ZINC000292592070 223163209 /nfs/dbraw/zinc/16/32/09/223163209.db2.gz VGWAOSAVKZGLMA-AAEUAGOBSA-N 2 0 312.255 2.759 20 0 DFADRP C[C@H]1C[C@H](N(C)Cc2cccc(Br)n2)CC[N@@H+]1C ZINC000292592078 223163460 /nfs/dbraw/zinc/16/34/60/223163460.db2.gz VGWAOSAVKZGLMA-WCQYABFASA-N 2 0 312.255 2.759 20 0 DFADRP CC[C@@H]([NH2+]CC1=CC[N@H+](C)CC1)c1ccc2c(c1)OCCO2 ZINC000271896508 209305887 /nfs/dbraw/zinc/30/58/87/209305887.db2.gz UIGHZTWGCXPAJY-MRXNPFEDSA-N 2 0 302.418 2.760 20 0 DFADRP C[C@@H]([NH3+])CCC(=O)NC[C@@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC000193298140 201022770 /nfs/dbraw/zinc/02/27/70/201022770.db2.gz VVPIMTGYTMQCNJ-CJNGLKHVSA-N 2 0 323.868 2.721 20 0 DFADRP Cc1cc(NC(=O)CC[C@H](C)[NH3+])ccc1OCC[NH+]1CCCC1 ZINC000193317265 201028440 /nfs/dbraw/zinc/02/84/40/201028440.db2.gz UBZFTZMOVUPQLH-HNNXBMFYSA-N 2 0 319.449 2.536 20 0 DFADRP C[C@H](CC[NH+]1CCN(CC[NH+]2CCCC2)CC1)c1ccccc1 ZINC000193628456 201089650 /nfs/dbraw/zinc/08/96/50/201089650.db2.gz HNKBCGJVPMAABW-LJQANCHMSA-N 2 0 315.505 2.894 20 0 DFADRP C[N@H+]1CC=C(C[NH2+]Cc2ccc(Br)s2)CC1 ZINC000271868186 209281411 /nfs/dbraw/zinc/28/14/11/209281411.db2.gz WSZTZJLSXGRMRX-UHFFFAOYSA-N 2 0 301.253 2.862 20 0 DFADRP CCC(CC)(CNC(=O)N[C@H](C)C[NH3+])[NH2+][C@@H](C)c1ccccc1 ZINC000417710777 296043022 /nfs/dbraw/zinc/04/30/22/296043022.db2.gz VDEXRQXKYVKANF-CABCVRRESA-N 2 0 320.481 2.542 20 0 DFADRP C[N@H+](Cc1ccccc1)CC(C)(C)CN1C[C@@H]2C[NH+](C)C[C@@H]2C1 ZINC000194539850 201246455 /nfs/dbraw/zinc/24/64/55/201246455.db2.gz AYVABPJJCBIIGO-KDURUIRLSA-N 2 0 315.505 2.638 20 0 DFADRP Cc1ccc(C[NH+](C)C)cc1NC(=O)C1CC[NH+](C2CC2)CC1 ZINC000194725504 201278829 /nfs/dbraw/zinc/27/88/29/201278829.db2.gz QXPNJYOTEVONBC-UHFFFAOYSA-N 2 0 315.461 2.870 20 0 DFADRP C[C@H]([NH2+]Cc1ccnc(OCC[NH+](C)C)c1)c1cccc(O)c1 ZINC000194940054 201314039 /nfs/dbraw/zinc/31/40/39/201314039.db2.gz SRIRDQIDBKOAIF-AWEZNQCLSA-N 2 0 315.417 2.578 20 0 DFADRP [NH3+][C@@H](CCC(=O)N[C@@H]1CC[N@@H+](C2CCCC2)C1)c1ccccc1 ZINC000167717198 398995347 /nfs/dbraw/zinc/99/53/47/398995347.db2.gz YCLMDTLMUPNBRM-AEFFLSMTSA-N 2 0 315.461 2.600 20 0 DFADRP CC(C)c1ccc([C@@H]([NH3+])CNC(=O)CC[C@H]2CCC[NH2+]C2)cc1 ZINC000621621884 398998194 /nfs/dbraw/zinc/99/81/94/398998194.db2.gz MZIQFPLCFRLJFD-QAPCUYQASA-N 2 0 317.477 2.706 20 0 DFADRP CCc1cccc(Cl)c1C[NH2+]C[C@@H](C)CN1CC[NH+](C)CC1 ZINC000474367993 299335802 /nfs/dbraw/zinc/33/58/02/299335802.db2.gz IJNSMMJVGVCBMS-OAHLLOKOSA-N 2 0 323.912 2.876 20 0 DFADRP CCC([NH3+])(CC)CNC(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000417798836 296052102 /nfs/dbraw/zinc/05/21/02/296052102.db2.gz AVASKCIZHRVKSJ-UHFFFAOYSA-N 2 0 324.513 2.600 20 0 DFADRP C[C@H]([NH2+]CC1=CC[N@H+](C)CC1)c1ccc2c(c1)OCCCO2 ZINC000271842368 209260301 /nfs/dbraw/zinc/26/03/01/209260301.db2.gz GYERYDGLSNFVGX-AWEZNQCLSA-N 2 0 302.418 2.760 20 0 DFADRP COc1ccc([C@H](C)[NH2+]CC2=CC[N@H+](C)CC2)cc1NC(C)=O ZINC000271842305 209259967 /nfs/dbraw/zinc/25/99/67/209259967.db2.gz GXIRUUJHYKTXCL-ZDUSSCGKSA-N 2 0 317.433 2.566 20 0 DFADRP C[N@H+]1CC=C(C[NH2+]Cc2cc(Br)ccc2F)CC1 ZINC000271840939 209259803 /nfs/dbraw/zinc/25/98/03/209259803.db2.gz QWMANUGTLDTHNT-UHFFFAOYSA-N 2 0 313.214 2.940 20 0 DFADRP CC(C)(C(=O)NCC1([NH3+])CCCCCC1)[C@@H]([NH3+])c1ccccc1 ZINC000417815102 296054036 /nfs/dbraw/zinc/05/40/36/296054036.db2.gz RCNLHNKVJAKIFY-INIZCTEOSA-N 2 0 317.477 2.881 20 0 DFADRP CCn1cncc1C[NH+]1CCC(CCC[NH+]2CCCC2)CC1 ZINC000417822396 296054794 /nfs/dbraw/zinc/05/47/94/296054794.db2.gz ZRJGCLCEPUOIIO-UHFFFAOYSA-N 2 0 304.482 2.991 20 0 DFADRP CC(C)(C(=O)NC[C@@H]1[NH2+]CCCC1(C)C)[C@H]([NH3+])c1ccccc1 ZINC000417834470 296055902 /nfs/dbraw/zinc/05/59/02/296055902.db2.gz VHYSSYFJRLSVKB-JKSUJKDBSA-N 2 0 317.477 2.607 20 0 DFADRP C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)CC[C@H]2CCC[NH2+]C2)C1 ZINC000621642982 399007735 /nfs/dbraw/zinc/00/77/35/399007735.db2.gz YUKOIHXNXMRIMS-KZNAEPCWSA-N 2 0 323.525 2.641 20 0 DFADRP CO[C@@H]1CC[C@@H]([NH2+][C@H](C)c2ccc(OCC[NH+](C)C)cc2)C1 ZINC000249031296 283761890 /nfs/dbraw/zinc/76/18/90/283761890.db2.gz LPILFVKFZVGHBD-QGPMSJSTSA-N 2 0 306.450 2.845 20 0 DFADRP O=C(CC[C@@H]1CCC[NH2+]C1)NC1CC[NH+](C2CCCCC2)CC1 ZINC000621651360 399009022 /nfs/dbraw/zinc/00/90/22/399009022.db2.gz KQTWTUPTPQSPFS-INIZCTEOSA-N 2 0 321.509 2.680 20 0 DFADRP C[C@H]1C[N@H+](CCCc2cncn2C)CC[C@@H]1C(=O)OC(C)(C)C ZINC000599579775 399019465 /nfs/dbraw/zinc/01/94/65/399019465.db2.gz BZNMYFSZXWUFBS-HOCLYGCPSA-N 2 0 321.465 2.652 20 0 DFADRP C[NH+](C)CCN1CCC([NH2+][C@@H](c2ccccc2)C2CC2)CC1 ZINC000091283696 193030272 /nfs/dbraw/zinc/03/02/72/193030272.db2.gz MHOULJYRCOSRDE-IBGZPJMESA-N 2 0 301.478 2.753 20 0 DFADRP C[N@@H+]1CCCN(CCC[NH2+][C@@H](c2ccccc2)C2CC2)CC1 ZINC000091333622 193041589 /nfs/dbraw/zinc/04/15/89/193041589.db2.gz FNAWGUXOMAYRKV-IBGZPJMESA-N 2 0 301.478 2.755 20 0 DFADRP CC(=O)Nc1ccc(C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)cc1 ZINC000092043296 193146680 /nfs/dbraw/zinc/14/66/80/193146680.db2.gz ZXJHHCZRZOGICO-SJLPKXTDSA-N 2 0 301.434 2.561 20 0 DFADRP CCC([NH3+])(CC)CNC(=O)NC[C@@H]([NH3+])c1ccc(C(C)C)cc1 ZINC000418346377 296087052 /nfs/dbraw/zinc/08/70/52/296087052.db2.gz HUTAGRKCPUTONU-MRXNPFEDSA-N 2 0 320.481 2.627 20 0 DFADRP CC[C@@H](C)[NH2+][C@@H](CNC(=O)Nc1ccnc(C)c1)c1ccco1 ZINC000479075016 299371741 /nfs/dbraw/zinc/37/17/41/299371741.db2.gz ADDSQWKBTLTAPV-DOMZBBRYSA-N 2 0 316.405 2.656 20 0 DFADRP CC(=O)N1CC[C@@H]([NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)c2ccccc21 ZINC000621749880 399065508 /nfs/dbraw/zinc/06/55/08/399065508.db2.gz DRGWTBWUJDKMTI-CRAIPNDOSA-N 2 0 313.445 2.558 20 0 DFADRP CC[NH+](CC)CC1CC[NH+]([C@@H](C)C(=O)NC2CCCCC2)CC1 ZINC000057847264 399066467 /nfs/dbraw/zinc/06/64/67/399066467.db2.gz HHMBORIHLSXEIU-INIZCTEOSA-N 2 0 323.525 2.878 20 0 DFADRP C[N@H+]1CC=C(C[NH2+]Cc2c[nH]nc2-c2ccccc2F)CC1 ZINC000271768625 209197968 /nfs/dbraw/zinc/19/79/68/209197968.db2.gz BDFKCJVZENSHSI-UHFFFAOYSA-N 2 0 300.381 2.567 20 0 DFADRP C[NH+](C)C1CCN(CC[NH2+][C@@H](c2ccc(F)cc2)C2CC2)CC1 ZINC000271767472 209195393 /nfs/dbraw/zinc/19/53/93/209195393.db2.gz UFXZXUXKHDROQO-LJQANCHMSA-N 2 0 319.468 2.892 20 0 DFADRP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCC[N@@H+]2Cc2cncc(Cl)c2)C1 ZINC000621776829 399074649 /nfs/dbraw/zinc/07/46/49/399074649.db2.gz XJJDUJKXRJQQDJ-PMPSAXMXSA-N 2 0 309.841 2.596 20 0 DFADRP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCC[N@@H+]2Cc2cncc(Cl)c2)C1 ZINC000621776826 399075767 /nfs/dbraw/zinc/07/57/67/399075767.db2.gz XJJDUJKXRJQQDJ-BZUAXINKSA-N 2 0 309.841 2.596 20 0 DFADRP C[C@@H]([NH2+][C@@H](C)CCN1CC[NH+](C)CC1)[C@@H]1C[C@H]1c1ccccc1 ZINC000283506311 283981166 /nfs/dbraw/zinc/98/11/66/283981166.db2.gz ZDYXUIQTVIIMCP-HNJRGHQBSA-N 2 0 315.505 2.794 20 0 DFADRP C[C@H]([NH2+][C@H]1CCCC[C@@H]1O)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000275140525 212146366 /nfs/dbraw/zinc/14/63/66/212146366.db2.gz RLMUSIKGXREWJD-NQYYFHDYSA-N 2 0 302.462 2.790 20 0 DFADRP CC[NH+](CC)[C@H](CN[C@@H]1CC[N@H+](C)C[C@H]1C)Cc1ccccc1 ZINC000480826547 299390344 /nfs/dbraw/zinc/39/03/44/299390344.db2.gz KOPGFZBUEQWKOH-YZGWKJHDSA-N 2 0 317.521 2.869 20 0 DFADRP FC1(F)CCC[C@H](C[NH+]2CCC(C[NH+]3CCOCC3)CC2)C1 ZINC000338240180 284093454 /nfs/dbraw/zinc/09/34/54/284093454.db2.gz SBSDOYRCQSGFGG-INIZCTEOSA-N 2 0 316.436 2.856 20 0 DFADRP C[C@H](C(=O)NCCC[N@@H+]1CCCC[C@H]1C)[C@@H]([NH3+])c1ccccc1 ZINC000261786659 203117047 /nfs/dbraw/zinc/11/70/47/203117047.db2.gz SOILJWYCTHNAEN-SOLBZPMBSA-N 2 0 317.477 2.703 20 0 DFADRP C[C@H]([NH2+]C(C)(C)CNC(=O)CC[C@@H]1CC[NH2+]C1)c1ccccc1 ZINC000261880085 203143294 /nfs/dbraw/zinc/14/32/94/203143294.db2.gz RTCPRLWFTZRQEM-JKSUJKDBSA-N 2 0 317.477 2.622 20 0 DFADRP C[C@H]1C[N@H+](CC2(C[NH+]3C[C@@H](C)[C@H](C)[C@H]3C)COC2)[C@@H](C)[C@H]1C ZINC000419375253 296137819 /nfs/dbraw/zinc/13/78/19/296137819.db2.gz RGBJFOGAWHUZMQ-ONTMVUMWSA-N 2 0 308.510 2.956 20 0 DFADRP C[C@H](CCNC(=O)[C@H]1CCC[C@H]([NH3+])C1)[N@H+](C)Cc1ccccc1 ZINC000262282943 203250179 /nfs/dbraw/zinc/25/01/79/203250179.db2.gz LJGRVHGMECPJSP-NJAFHUGGSA-N 2 0 317.477 2.531 20 0 DFADRP CCC[C@](C)([NH3+])C(=O)N1CC[C@H](C)[N@H+](Cc2ccccc2)CC1 ZINC000262334114 203265960 /nfs/dbraw/zinc/26/59/60/203265960.db2.gz WIIMGKBQLZXYKW-LPHOPBHVSA-N 2 0 317.477 2.627 20 0 DFADRP CCC(CC)(CNC(=O)[C@H](C)[C@@H](C)[NH3+])[NH2+][C@@H](C)c1ccccc1 ZINC000262511780 203314808 /nfs/dbraw/zinc/31/48/08/203314808.db2.gz DKZAXLRTBKVMQJ-OAGGEKHMSA-N 2 0 319.493 2.996 20 0 DFADRP C[C@H](CSc1nnc(SC[C@H](C)[NH+](C)C)s1)[NH+](C)C ZINC000060202128 399119041 /nfs/dbraw/zinc/11/90/41/399119041.db2.gz LRMVAUQUAOINLV-AOOOYVTPSA-N 2 0 320.553 2.623 20 0 DFADRP C[C@@H]1CCC[N@H+](Cc2ccc(NC(=O)C[NH2+]CC3CC3)cc2)C1 ZINC000262653753 203366457 /nfs/dbraw/zinc/36/64/57/203366457.db2.gz BQMQUJMZZVXFOH-OAHLLOKOSA-N 2 0 315.461 2.857 20 0 DFADRP C[C@H]([NH2+]C(C)(C)CNC(=O)[C@@H]([NH3+])C(C)(C)C)c1ccccc1 ZINC000262654146 203366792 /nfs/dbraw/zinc/36/67/92/203366792.db2.gz STZVRRUCFUKJSX-DZGCQCFKSA-N 2 0 305.466 2.605 20 0 DFADRP COC(=O)c1cc(C[N@@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)cs1 ZINC000595895935 399126590 /nfs/dbraw/zinc/12/65/90/399126590.db2.gz WQYQEMGVJSXBHF-CABCVRRESA-N 2 0 322.474 2.746 20 0 DFADRP CCn1cc(C[NH+]2CCC(CCC[NH+]3CCCC3)CC2)cn1 ZINC000093769288 193302729 /nfs/dbraw/zinc/30/27/29/193302729.db2.gz MILMFLRVBXEFNB-UHFFFAOYSA-N 2 0 304.482 2.991 20 0 DFADRP C[C@H]1C[NH+](CCC2CC[NH+](Cc3cncs3)CC2)C[C@H](C)O1 ZINC000093844215 193317322 /nfs/dbraw/zinc/31/73/22/193317322.db2.gz ITZFQLWNQUDORJ-GJZGRUSLSA-N 2 0 323.506 2.854 20 0 DFADRP CCC[N@@H+]1CCC[C@H]1C(=O)Nc1cc(C)cc(C[NH+](C)C)c1 ZINC000340332880 284177045 /nfs/dbraw/zinc/17/70/45/284177045.db2.gz IQNVWSRXUPBGQT-KRWDZBQOSA-N 2 0 303.450 2.870 20 0 DFADRP CN1CC[C@H]([NH2+][C@@H]2CCc3nc[nH]c3C2)C[C@@H]1c1ccccc1 ZINC000340398395 284180037 /nfs/dbraw/zinc/18/00/37/284180037.db2.gz ZTSGSQGXNXIJNC-JTDSTZFVSA-N 3 0 310.445 2.692 20 0 DFADRP Cc1cc(C[NH+](C)C)cc(NC(=O)C[NH+]2[C@H](C)CC[C@H]2C)c1 ZINC000340334328 284177916 /nfs/dbraw/zinc/17/79/16/284177916.db2.gz RLVPXDCVPGWQFE-HUUCEWRRSA-N 2 0 303.450 2.868 20 0 DFADRP CC(C)CN(CC[NH+](C)C)C(=O)[C@H](C)[N@H+](C)Cc1ccccc1 ZINC000340525393 284188985 /nfs/dbraw/zinc/18/89/85/284188985.db2.gz IYHNXOKQOJZLJJ-KRWDZBQOSA-N 2 0 319.493 2.553 20 0 DFADRP C[NH2+]C[C@@H]1CCCN(c2cc[nH+]c3cc(F)c(OC)cc32)C1 ZINC000420123949 296159179 /nfs/dbraw/zinc/15/91/79/296159179.db2.gz OFHFELMPAQAQGG-LBPRGKRZSA-N 2 0 303.381 2.818 20 0 DFADRP COc1cc2c(cc1F)[nH+]ccc2N1CCC[C@H](C)[C@H]1C[NH3+] ZINC000420178307 296160605 /nfs/dbraw/zinc/16/06/05/296160605.db2.gz AUAQJNNBUUGYIE-MEDUHNTESA-N 2 0 303.381 2.946 20 0 DFADRP COc1cc2c(cc1F)[nH+]ccc2N1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000420185249 296161009 /nfs/dbraw/zinc/16/10/09/296161009.db2.gz KPSQFNYUKNYXJN-RYUDHWBXSA-N 2 0 303.381 2.946 20 0 DFADRP CCOC(=O)c1[nH]c(C)c(C[N@H+](C)CC2CC[NH+](C)CC2)c1C ZINC000600117244 399141691 /nfs/dbraw/zinc/14/16/91/399141691.db2.gz IUYYHJLWIMWLPS-UHFFFAOYSA-N 2 0 321.465 2.582 20 0 DFADRP Cc1cc(NC[C@H]([NH3+])C2CC2)c2cc(OC(F)F)ccc2[nH+]1 ZINC000420219192 296163165 /nfs/dbraw/zinc/16/31/65/296163165.db2.gz PHAQLOQFBQRYGA-ZDUSSCGKSA-N 2 0 307.344 2.716 20 0 DFADRP COc1cc2c(cc1F)[nH+]ccc2N1CCC([C@@H](C)[NH3+])CC1 ZINC000420221508 296163428 /nfs/dbraw/zinc/16/34/28/296163428.db2.gz QHMFPJXJLKHXCG-LLVKDONJSA-N 2 0 303.381 2.946 20 0 DFADRP CCOC(=O)c1cnc2ccccc2c1N1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000420233499 296164437 /nfs/dbraw/zinc/16/44/37/296164437.db2.gz MRJGKLPBMZMYBK-OLZOCXBDSA-N 2 0 313.401 2.585 20 0 DFADRP Cc1cc(N2CCC(O)(C[NH3+])CC2)c2cc(Cl)cc(C)c2[nH+]1 ZINC000420272359 296167869 /nfs/dbraw/zinc/16/78/69/296167869.db2.gz LXDOKFJEKBHCRB-UHFFFAOYSA-N 2 0 319.836 2.795 20 0 DFADRP Cc1ccc2[nH+]ccc(N3C[C@H](C[NH3+])C4(C3)CCOCC4)c2c1 ZINC000420282324 296169157 /nfs/dbraw/zinc/16/91/57/296169157.db2.gz WKWKFGQNHWMFDL-HNNXBMFYSA-N 2 0 311.429 2.735 20 0 DFADRP C[NH2+]CC1CC[NH+]([C@@H](C)C(=O)Nc2cc(C)cc(C)c2)CC1 ZINC000420283184 296169199 /nfs/dbraw/zinc/16/91/99/296169199.db2.gz BXTDCEWVNOETPV-HNNXBMFYSA-N 2 0 303.450 2.562 20 0 DFADRP COC(=O)[C@H](c1cccc(Cl)c1)N1CCC([C@H](C)[NH3+])CC1 ZINC000420289310 296169877 /nfs/dbraw/zinc/16/98/77/296169877.db2.gz IATDFZVMTNVKAK-NHYWBVRUSA-N 2 0 310.825 2.613 20 0 DFADRP Cc1cc(-c2noc(CN3CCC[C@H]([C@H](C)[NH3+])C3)n2)ccc1F ZINC000420290017 296169879 /nfs/dbraw/zinc/16/98/79/296169879.db2.gz LDKPZDXWXQRHLW-JSGCOSHPSA-N 2 0 318.396 2.743 20 0 DFADRP CCCN(Cc1ccc2oc(C(=O)OC)cc2c1)[C@H]1CC[NH2+]C1 ZINC000420290466 296169977 /nfs/dbraw/zinc/16/99/77/296169977.db2.gz JESFHKQUNRNPPW-HNNXBMFYSA-N 2 0 316.401 2.793 20 0 DFADRP C[C@@H]1CCCN(c2cc(NC[C@@H]3CCC[C@@H]([NH3+])C3)ncn2)C1 ZINC000420293104 296170097 /nfs/dbraw/zinc/17/00/97/296170097.db2.gz XLGFRXPWGDIBMN-RBSFLKMASA-N 2 0 303.454 2.642 20 0 DFADRP C[C@@H]([NH3+])[C@@H]1CCC[N@H+](CCOc2ccc(Cl)c(F)c2)C1 ZINC000420295694 296170550 /nfs/dbraw/zinc/17/05/50/296170550.db2.gz VYPUHQJVYIMODJ-VXGBXAGGSA-N 2 0 300.805 2.917 20 0 DFADRP OCCC[N@H+](CC[C@@H]1CCC[NH2+]C1)[C@H]1CCc2ccccc21 ZINC000420295335 296170662 /nfs/dbraw/zinc/17/06/62/296170662.db2.gz CFJAKNYHLNVXDA-LPHOPBHVSA-N 2 0 302.462 2.748 20 0 DFADRP c1ccc2cc(C[N@@H+](CCN3CC[NH2+]CC3)C3CC3)ccc2c1 ZINC000420296882 296170974 /nfs/dbraw/zinc/17/09/74/296170974.db2.gz CJZYEWXNTZLTSE-UHFFFAOYSA-N 2 0 309.457 2.709 20 0 DFADRP CC[C@@H](c1ccccc1)[C@H]1CCC[N@@H+]1CCN1CC[NH2+]CC1 ZINC000420297150 296170977 /nfs/dbraw/zinc/17/09/77/296170977.db2.gz FOSMVSBBYXMNCG-RBUKOAKNSA-N 2 0 301.478 2.550 20 0 DFADRP C[NH2+]CC1CC[NH+]([C@H](C)C(=O)Nc2cccc(C)c2C)CC1 ZINC000420297209 296170982 /nfs/dbraw/zinc/17/09/82/296170982.db2.gz RDDJJEUCJSVGKM-OAHLLOKOSA-N 2 0 303.450 2.562 20 0 DFADRP CCS[C@@H]1CCCC[N@H+](C[C@H](O)[C@@H]([NH3+])Cc2ccccc2)C1 ZINC000420299232 296171166 /nfs/dbraw/zinc/17/11/66/296171166.db2.gz ILGPRGVYSQOHBW-SQNIBIBYSA-N 2 0 322.518 2.525 20 0 DFADRP COC(=O)CCC[N@@H+]1CCCC[C@H]1[C@@H](C[NH3+])Cc1ccccc1 ZINC000420304596 296172027 /nfs/dbraw/zinc/17/20/27/296172027.db2.gz FDFLAYBHKWDVBG-MSOLQXFVSA-N 2 0 318.461 2.612 20 0 DFADRP COc1ccccc1[C@@H]1C[NH2+]CCN1CCC[NH+]1CCCCC1 ZINC000420308019 296172852 /nfs/dbraw/zinc/17/28/52/296172852.db2.gz JPAFPZXCBIRFMB-SFHVURJKSA-N 2 0 317.477 2.518 20 0 DFADRP C[N@H+](CC[C@H]1CCC[NH2+]C1)CC(=O)Nc1cccc(Cl)c1 ZINC000420304095 296172329 /nfs/dbraw/zinc/17/23/29/296172329.db2.gz KUXCEYFKQBBLPL-CYBMUJFWSA-N 2 0 309.841 2.600 20 0 DFADRP COc1ccc([C@@H](C[NH3+])C[N@@H+]2CCC[C@@]3(CCCOC3)C2)cc1 ZINC000420308125 296173079 /nfs/dbraw/zinc/17/30/79/296173079.db2.gz SAXMPOASLYKLPE-PKOBYXMFSA-N 2 0 318.461 2.630 20 0 DFADRP Fc1ccc(CN2CCC[N@H+](CC[C@H]3CCC[NH2+]C3)CC2)cc1 ZINC000420311479 296173305 /nfs/dbraw/zinc/17/33/05/296173305.db2.gz VZQJIGAHZOUOCS-QGZVFWFLSA-N 2 0 319.468 2.723 20 0 DFADRP O=C(NC1CC[NH+](CC[C@H]2CCC[NH2+]C2)CC1)C1CCCCC1 ZINC000420312362 296173407 /nfs/dbraw/zinc/17/34/07/296173407.db2.gz WUUPDXIWISXTKR-MRXNPFEDSA-N 2 0 321.509 2.537 20 0 DFADRP CC[C@H](C)[C@H]1CCCC[N@@H+]1C[C@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC000420310975 296173425 /nfs/dbraw/zinc/17/34/25/296173425.db2.gz VPOOUZVJCGJLSG-KANFNMMFSA-N 2 0 304.478 2.818 20 0 DFADRP COc1ccc(CC[NH2+][C@@H]2C[C@@H](C)[N@H+](C)C[C@H]2C)c(OC)c1 ZINC000341886717 284283191 /nfs/dbraw/zinc/28/31/91/284283191.db2.gz CCTSYEHGTZYFQA-CKEIUWERSA-N 2 0 306.450 2.565 20 0 DFADRP COc1ccc([C@@H](C[NH3+])C[N@H+](C)Cc2cccc(OC)c2)cc1 ZINC000420319483 296174567 /nfs/dbraw/zinc/17/45/67/296174567.db2.gz PPOYZAVQWTZVSY-KRWDZBQOSA-N 2 0 314.429 2.878 20 0 DFADRP C[N@H+](CCC(=O)Nc1ccc(Cl)cc1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000420316184 296174224 /nfs/dbraw/zinc/17/42/24/296174224.db2.gz LLLWGWRZZVPRHR-XYPWUTKMSA-N 2 0 321.852 2.883 20 0 DFADRP CCCCc1noc([C@H](C)[N@@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)n1 ZINC000420325113 296175209 /nfs/dbraw/zinc/17/52/09/296175209.db2.gz IBNWHUWUTVFWJZ-SOUVJXGZSA-N 2 0 306.454 2.795 20 0 DFADRP Cc1ccc(NC(=O)[C@@H](C)[N@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)cc1C ZINC000420323992 296175337 /nfs/dbraw/zinc/17/53/37/296175337.db2.gz AJMGHNLRIVZCCR-ZACQAIPSSA-N 2 0 315.461 2.562 20 0 DFADRP C[N@H+](C[C@H](O)[C@@H]([NH3+])Cc1ccccc1)[C@H]1CCc2ccccc21 ZINC000420322119 296174860 /nfs/dbraw/zinc/17/48/60/296174860.db2.gz RZXZVPJUMKMTJS-UFYCRDLUSA-N 2 0 310.441 2.537 20 0 DFADRP CC(C)C1CCC([NH+]2CCN(CC[C@H]3CC[NH2+]C3)CC2)CC1 ZINC000420321639 296174876 /nfs/dbraw/zinc/17/48/76/296174876.db2.gz RIFSVIATPRULOI-LMDPOFIKSA-N 2 0 307.526 2.818 20 0 DFADRP C(c1nc(C2CCCC2)no1)[N@@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420336018 296177175 /nfs/dbraw/zinc/17/71/75/296177175.db2.gz VINOQOWBVHAXTB-CABCVRRESA-N 2 0 304.438 2.549 20 0 DFADRP C[C@H](C(=O)N(C)c1ccccc1)[NH+]1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000420333713 296176763 /nfs/dbraw/zinc/17/67/63/296176763.db2.gz FPRJFBWGJQQMRB-CRAIPNDOSA-N 2 0 315.461 2.502 20 0 DFADRP C[C@@H](C(=O)N(C)C1CCCCC1)[NH+]1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000420335082 296176817 /nfs/dbraw/zinc/17/68/17/296176817.db2.gz JWMRVHWRVWRSPD-MAUKXSAKSA-N 2 0 321.509 2.630 20 0 DFADRP c1cnc2sc(C[N@@H+]3CCC[C@H]([C@H]4CC[NH2+]C4)C3)nc2c1 ZINC000420337762 296177072 /nfs/dbraw/zinc/17/70/72/296177072.db2.gz XAGJPXULADCIMI-STQMWFEESA-N 2 0 302.447 2.513 20 0 DFADRP Fc1ccc(-c2cc(C[N@H+]3CC[C@H]4C[NH2+]C[C@H]4CC3)on2)cc1 ZINC000420343878 296177862 /nfs/dbraw/zinc/17/78/62/296177862.db2.gz RYDGWKYARGBDGD-GASCZTMLSA-N 2 0 315.392 2.912 20 0 DFADRP c1coc(-c2cc(C[N@@H+]3CCC[C@H]([C@@H]4CC[NH2+]C4)C3)no2)c1 ZINC000420345989 296178001 /nfs/dbraw/zinc/17/80/01/296178001.db2.gz WZQAPXOESOHDBQ-KGLIPLIRSA-N 2 0 301.390 2.756 20 0 DFADRP Cc1cccc(NC(=O)[C@H](C)[NH+]2CCC([C@@H]3CCC[NH2+]3)CC2)c1 ZINC000420340637 296177577 /nfs/dbraw/zinc/17/75/77/296177577.db2.gz MYDHFDXUDUHUQT-YJBOKZPZSA-N 2 0 315.461 2.786 20 0 DFADRP c1ccc(-c2noc(C[N@@H+]3CCC[C@H]([C@H]4CC[NH2+]C4)C3)n2)cc1 ZINC000420344590 296178215 /nfs/dbraw/zinc/17/82/15/296178215.db2.gz UEYGWJOMNSQKSI-HOTGVXAUSA-N 2 0 312.417 2.558 20 0 DFADRP Cc1cccc(NC(=O)[C@H](C)[NH+]2CCC3(CC[NH2+]C3)CC2)c1C ZINC000420346411 296178516 /nfs/dbraw/zinc/17/85/16/296178516.db2.gz WWBHQNCCERWABU-INIZCTEOSA-N 2 0 315.461 2.706 20 0 DFADRP C[C@@H](c1cccc(F)c1)N1CC[NH+](CC[C@H]2CC[NH2+]C2)CC1 ZINC000420357052 296179623 /nfs/dbraw/zinc/17/96/23/296179623.db2.gz HKWDNCZYALILJN-JKSUJKDBSA-N 2 0 305.441 2.504 20 0 DFADRP CC[C@H]([NH2+]C[C@H]1CCC[N@H+](CC2CC2)C1)C1(C(=O)OC)CCC1 ZINC000596092560 399170662 /nfs/dbraw/zinc/17/06/62/399170662.db2.gz BLSNMTWCNAGAFK-SJORKVTESA-N 2 0 322.493 2.820 20 0 DFADRP C[N@H+](CCC1CC[NH2+]CC1)C1CCN(c2ccccc2)CC1 ZINC000420363619 296180387 /nfs/dbraw/zinc/18/03/87/296180387.db2.gz BQGHCOGSIXAHOI-UHFFFAOYSA-N 2 0 301.478 2.977 20 0 DFADRP CC[NH+](CC)Cc1ccc(C(=O)N(C)[C@H]2CC[N@H+](C)[C@H](C)C2)o1 ZINC000607523113 399172526 /nfs/dbraw/zinc/17/25/26/399172526.db2.gz SMWFTZMYWWZHKQ-CABCVRRESA-N 2 0 321.465 2.676 20 0 DFADRP c1nc2ccccc2n1C[C@@H]1CCC[N@H+]1CC[C@H]1CCC[NH2+]C1 ZINC000420365602 296180874 /nfs/dbraw/zinc/18/08/74/296180874.db2.gz FAFRZOSEKMDHGE-SJORKVTESA-N 2 0 312.461 2.890 20 0 DFADRP COc1ccc(OCCC[N@@H+]2CCC[C@]3(CC[NH2+]C3)C2)cc1 ZINC000420374291 296182484 /nfs/dbraw/zinc/18/24/84/296182484.db2.gz NJDLPZCKEUHBLN-GOSISDBHSA-N 2 0 304.434 2.540 20 0 DFADRP C[C@@H]([NH2+]C[C@H](O)[C@@H]([NH3+])Cc1ccccc1)c1ccc(Cl)cc1 ZINC000420377050 296182640 /nfs/dbraw/zinc/18/26/40/296182640.db2.gz RMGPXSGKVYQMBN-BVGQSLNGSA-N 2 0 318.848 2.922 20 0 DFADRP C[C@@H](Cc1cccc(Cl)c1)[NH2+]C[C@@H](O)C[NH+]1CCCCC1 ZINC000282617797 217129296 /nfs/dbraw/zinc/12/92/96/217129296.db2.gz JFWDZBRSIZLXJE-WMLDXEAASA-N 2 0 310.869 2.707 20 0 DFADRP CC[C@@H]1C[N@H+](CC[C@H]2CC[NH2+]C2)CCN1Cc1ccccc1 ZINC000420377918 296182992 /nfs/dbraw/zinc/18/29/92/296182992.db2.gz SVYQAZSRICWKGP-IEBWSBKVSA-N 2 0 301.478 2.582 20 0 DFADRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+][C@H](C)Cc1cccc(Cl)c1 ZINC000282644888 217147467 /nfs/dbraw/zinc/14/74/67/217147467.db2.gz LJWFGYZKDHRLRK-HZPDHXFCSA-N 2 0 323.912 2.887 20 0 DFADRP [NH3+][C@@H]1CCO[C@@H](C2CC[NH+](CCCCC(F)(F)F)CC2)C1 ZINC000420384796 296183854 /nfs/dbraw/zinc/18/38/54/296183854.db2.gz GULUYSGUCJOJEH-ZIAGYGMSSA-N 2 0 308.388 2.937 20 0 DFADRP C[C@H]1CCC[C@H](CC[N@@H+]2CC3(CC[NH2+]CC3)[C@@H]3COC[C@@H]32)C1 ZINC000420388300 296184824 /nfs/dbraw/zinc/18/48/24/296184824.db2.gz MBAMFWBVMUMRDY-MLHJIOFPSA-N 2 0 306.494 2.903 20 0 DFADRP O=C(CC[N@@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1)Nc1ccccc1F ZINC000420387762 296184457 /nfs/dbraw/zinc/18/44/57/296184457.db2.gz GNMYUXHSWXWYEV-WMLDXEAASA-N 2 0 319.424 2.618 20 0 DFADRP Cc1ccc(-c2noc(CCC[NH2+]CC3([NH3+])CCC3)n2)cc1F ZINC000342105304 284324887 /nfs/dbraw/zinc/32/48/87/284324887.db2.gz OHHSHAFLJWVNKH-UHFFFAOYSA-N 2 0 318.396 2.588 20 0 DFADRP Cc1ccc(CC[NH+]2CCC([C@@H]3OCCC[C@H]3[NH3+])CC2)cc1 ZINC000420387445 296184540 /nfs/dbraw/zinc/18/45/40/296184540.db2.gz VVKFKGOBIRVFAS-MOPGFXCFSA-N 2 0 302.462 2.756 20 0 DFADRP O=C(CC[N@@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1)Nc1ccc(F)cc1 ZINC000420393066 296185384 /nfs/dbraw/zinc/18/53/84/296185384.db2.gz JJRMWYQEOGONRH-RHSMWYFYSA-N 2 0 319.424 2.618 20 0 DFADRP CCc1ccccc1C[NH+]1CCC([C@H]2C[C@H]([NH3+])CCO2)CC1 ZINC000420396020 296185880 /nfs/dbraw/zinc/18/58/80/296185880.db2.gz VAWSHTIIZBLKNP-RTBURBONSA-N 2 0 302.462 2.967 20 0 DFADRP [NH3+][C@@H]1CCO[C@H](C2CC[NH+](CCCc3ccsc3)CC2)C1 ZINC000420394971 296185898 /nfs/dbraw/zinc/18/58/98/296185898.db2.gz SNBSOBRJALCFFG-SJORKVTESA-N 2 0 308.491 2.899 20 0 DFADRP CN1CC[C@@H]([NH2+]CCC2CC[NH2+]CC2)[C@@H]1c1ccc(F)c(F)c1 ZINC000420407193 296187289 /nfs/dbraw/zinc/18/72/89/296187289.db2.gz OEIATNREZZHWTQ-MSOLQXFVSA-N 2 0 323.431 2.689 20 0 DFADRP c1cc2c(cc1[C@H]([NH2+]CC[C@@H]1CCC[NH2+]C1)C1CC1)OCCO2 ZINC000420415192 296188003 /nfs/dbraw/zinc/18/80/03/296188003.db2.gz UWEDUDXYAIVDJR-IFXJQAMLSA-N 2 0 316.445 2.888 20 0 DFADRP [NH3+]CCOCC[NH2+][C@@H]1CCC[C@@H]1c1ccccc1C(F)(F)F ZINC000420421155 296188276 /nfs/dbraw/zinc/18/82/76/296188276.db2.gz YLVKICLVJZGOAA-UKRRQHHQSA-N 2 0 316.367 2.906 20 0 DFADRP C[NH+](C)CCOc1cccc(C[NH2+]C/C=C/c2ccncc2)c1 ZINC000486969193 299434860 /nfs/dbraw/zinc/43/48/60/299434860.db2.gz PUGAMMKAUIAPSG-GQCTYLIASA-N 2 0 311.429 2.825 20 0 DFADRP C[NH+](C)CCCCC(=O)Nc1ccccc1Nc1cc[nH+]cc1 ZINC000614254997 399190017 /nfs/dbraw/zinc/19/00/17/399190017.db2.gz NINXJIVMYHZZSW-UHFFFAOYSA-N 2 0 312.417 2.918 20 0 DFADRP Cn1cnc2cc(C[NH2+]C3CC(C)(C)[NH2+]C(C)(C)C3)ccc21 ZINC000271672149 209115700 /nfs/dbraw/zinc/11/57/00/209115700.db2.gz NFANDIMIMOEPGS-UHFFFAOYSA-N 2 0 300.450 2.972 20 0 DFADRP C[C@H](C(=O)N[C@H]1CC[NH+](C2CCCCC2)C1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000618660374 399200872 /nfs/dbraw/zinc/20/08/72/399200872.db2.gz JMZMHYQAMXCHFN-TWMKSMIVSA-N 2 0 321.509 2.771 20 0 DFADRP COc1cc2c(cc1F)[nH+]ccc2N(C)C[C@@H]1CCC[N@@H+]1C ZINC000420631240 296194326 /nfs/dbraw/zinc/19/43/26/296194326.db2.gz GLJLFTGWBYHUNA-LBPRGKRZSA-N 2 0 303.381 2.913 20 0 DFADRP CC[N@H+](Cc1ccc(C(=O)NCC2([NH3+])CCC2)cc1)C(C)C ZINC000342589814 284373317 /nfs/dbraw/zinc/37/33/17/284373317.db2.gz NCRLYNXMPIQHFB-UHFFFAOYSA-N 2 0 303.450 2.528 20 0 DFADRP CC[NH+](CC)Cc1ccc(C(=O)N2CCC([NH+](C)C)CC2)cc1 ZINC000063734916 399205932 /nfs/dbraw/zinc/20/59/32/399205932.db2.gz NAIQHOGDOUUKFV-UHFFFAOYSA-N 2 0 317.477 2.695 20 0 DFADRP C[N@@H+](Cc1ccccc1)CC1CC[NH+](C[C@H]2C[C@@H](O)C2)CC1 ZINC000420901810 296210007 /nfs/dbraw/zinc/21/00/07/296210007.db2.gz KYEAREKLKGKWQH-KDURUIRLSA-N 2 0 302.462 2.601 20 0 DFADRP CC[NH+]1CCC(N2CCC[N@@H+]([C@@H](C)c3cccnc3)CC2)CC1 ZINC000420972417 296219931 /nfs/dbraw/zinc/21/99/31/296219931.db2.gz AVBHQFDMUIQMOA-KRWDZBQOSA-N 2 0 316.493 2.635 20 0 DFADRP Cc1c2ccccc2oc1[C@@H](C)[NH2+]CC1(O)CC[NH+](C)CC1 ZINC000268943552 291614143 /nfs/dbraw/zinc/61/41/43/291614143.db2.gz AVDPMIZMHGHJPH-CQSZACIVSA-N 2 0 302.418 2.849 20 0 DFADRP CCOC(=O)C1(C)CC([NH2+][C@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)C1 ZINC000601275766 399268381 /nfs/dbraw/zinc/26/83/81/399268381.db2.gz DUKZQJWHBZPRDM-YZWVMBDNSA-N 2 0 322.493 2.961 20 0 DFADRP CCCN1C[C@@H](C[NH2+]C2CC[NH+](C3CCCCC3)CC2)CC1=O ZINC000421345303 296246083 /nfs/dbraw/zinc/24/60/83/296246083.db2.gz AJUHRYHBVRYWDX-MRXNPFEDSA-N 2 0 321.509 2.632 20 0 DFADRP CCOC(=O)[C@@H]1CC[C@H]([NH2+]C2CCC([NH+](C)C)CC2)C[C@@H]1C ZINC000421372051 296250183 /nfs/dbraw/zinc/25/01/83/296250183.db2.gz LUCOFEOAFDHYNU-NSPSMMDPSA-N 2 0 310.482 2.817 20 0 DFADRP C[C@H](CC(=O)Nc1ccccc1)[NH2+]C1CCC([NH+](C)C)CC1 ZINC000421378689 296250624 /nfs/dbraw/zinc/25/06/24/296250624.db2.gz VUHVYVIDYQSKSL-ODIFPOPNSA-N 2 0 303.450 2.866 20 0 DFADRP CC(C)[C@H](C[NH2+]Cc1ccccc1Cl)N1CC[NH+](C)CC1 ZINC000040435534 183066561 /nfs/dbraw/zinc/06/65/61/183066561.db2.gz UGMKPUOYTLZSLR-KRWDZBQOSA-N 2 0 309.885 2.702 20 0 DFADRP C[NH2+]C[C@@H]1CCC[N@H+](CCC(=O)Nc2ccccc2Cl)C1 ZINC000040600296 183108298 /nfs/dbraw/zinc/10/82/98/183108298.db2.gz JUNSYDZVUXYLMX-ZDUSSCGKSA-N 2 0 309.841 2.600 20 0 DFADRP COC(=O)c1ccc(C[NH+]2CCC(C[N@H+](C)C(C)C)CC2)o1 ZINC000609133505 399304977 /nfs/dbraw/zinc/30/49/77/399304977.db2.gz PAGMTVHMZKSCTR-UHFFFAOYSA-N 2 0 308.422 2.618 20 0 DFADRP C[NH+](C)Cc1cccc(NC(=O)NCc2ccc3c(c2)C[NH2+]C3)c1 ZINC000623064644 399321500 /nfs/dbraw/zinc/32/15/00/399321500.db2.gz BOFNDNKSYBQAHL-UHFFFAOYSA-N 2 0 324.428 2.673 20 0 DFADRP Cn1nccc1[C@H]1CCC[C@H]([NH2+]C2CCC([NH+](C)C)CC2)C1 ZINC000421879615 296278553 /nfs/dbraw/zinc/27/85/53/296278553.db2.gz PCDPPWRFORUDFA-SOEBMCCKSA-N 2 0 304.482 2.909 20 0 DFADRP C[C@@H]1CCCC[C@H]1OCC[NH+]1CCC(C[NH+]2CCOCC2)CC1 ZINC000051959630 425883647 /nfs/dbraw/zinc/88/36/47/425883647.db2.gz LNOVUKGKAHKGJX-IEBWSBKVSA-N 2 0 324.509 2.626 20 0 DFADRP O=[S@@](CC[NH+]1CCC(C[NH+]2CCCC2)CC1)c1ccccc1 ZINC000104694750 194027539 /nfs/dbraw/zinc/02/75/39/194027539.db2.gz LWVFZQWHTFMYGB-JOCHJYFZSA-N 2 0 320.502 2.602 20 0 DFADRP CN(C)CC[NH+]1CCC(C[NH2+]Cc2cccc3[nH]ccc32)CC1 ZINC000105450883 194104261 /nfs/dbraw/zinc/10/42/61/194104261.db2.gz SAHHPRSZYSQLSH-UHFFFAOYSA-N 2 0 314.477 2.531 20 0 DFADRP C[N@@H+]1CC[C@@H](NC[C@H](c2ccco2)[NH+]2CCCC2)CC1(C)C ZINC000623336808 399365893 /nfs/dbraw/zinc/36/58/93/399365893.db2.gz GBZMXSQMQSJOOX-HZPDHXFCSA-N 2 0 305.466 2.879 20 0 DFADRP C[N@@H+]1CC[C@H]([NH2+]CCN2CCCc3ccccc32)CC1(C)C ZINC000623381277 399376359 /nfs/dbraw/zinc/37/63/59/399376359.db2.gz KXPUBPIIQGKGHZ-KRWDZBQOSA-N 2 0 301.478 2.902 20 0 DFADRP CC(C)[C@H](C(=O)NC[C@H](c1ccccc1)[NH+]1CCCC1)[NH+](C)C ZINC000106427486 194211886 /nfs/dbraw/zinc/21/18/86/194211886.db2.gz WEEHPDLXIRRTQB-QZTJIDSGSA-N 2 0 317.477 2.526 20 0 DFADRP CC[NH+](CC)Cc1cccc(CNC(=O)[C@@H](C(C)C)[NH+](C)C)c1 ZINC000106459174 194216928 /nfs/dbraw/zinc/21/69/28/194216928.db2.gz XZTNFNXSPZSGPL-GOSISDBHSA-N 2 0 319.493 2.731 20 0 DFADRP COc1ccccc1O[C@@H](C)C[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623433535 399388680 /nfs/dbraw/zinc/38/86/80/399388680.db2.gz NWVDYTFPYHNPQE-GJZGRUSLSA-N 2 0 306.450 2.925 20 0 DFADRP C[N@H+](C[C@H](O)CCc1ccccc1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000285360461 218397831 /nfs/dbraw/zinc/39/78/31/218397831.db2.gz BMKFHTDHYOCTFP-ZZJWQFMZSA-N 2 0 302.462 2.537 20 0 DFADRP CCO[C@H](CC[NH+](C)C)C[NH2+]Cc1ccc(Cl)c(OC)c1 ZINC000623442948 399390837 /nfs/dbraw/zinc/39/08/37/399390837.db2.gz IAPKBYQCKANPFH-CQSZACIVSA-N 2 0 314.857 2.795 20 0 DFADRP COc1ccccc1N1CC[C@@H]([NH2+][C@@H]2CC[N@H+](C)C(C)(C)C2)C1 ZINC000623445403 399391692 /nfs/dbraw/zinc/39/16/92/399391692.db2.gz PPXYHXINLSPIIZ-HZPDHXFCSA-N 2 0 317.477 2.736 20 0 DFADRP CCN(CC[NH2+][C@@H](C)c1cccc(OCC[NH+](C)C)c1)C1CC1 ZINC000268838819 207002966 /nfs/dbraw/zinc/00/29/66/207002966.db2.gz MDTWJLPJEMBSOM-INIZCTEOSA-N 2 0 319.493 2.762 20 0 DFADRP C[N@@H+]1CCCN(CCC[NH2+][C@@H]2CCC[C@@H]2c2ccccc2)CC1 ZINC000268838716 207003962 /nfs/dbraw/zinc/00/39/62/207003962.db2.gz BVPRTFTZNXWPHB-WOJBJXKFSA-N 2 0 315.505 2.940 20 0 DFADRP CCOc1cc(C[N@@H+]2C[C@H](C[NH3+])[C@@H](C)C[C@H]2C)ccc1OC ZINC000422559460 296312247 /nfs/dbraw/zinc/31/22/47/296312247.db2.gz DBWFFTIUZRXCDG-LZWOXQAQSA-N 2 0 306.450 2.899 20 0 DFADRP COCCC[C@@H](C)[NH2+]Cc1ccc(OCCC[NH+](C)C)cc1 ZINC000268850633 207017059 /nfs/dbraw/zinc/01/70/59/207017059.db2.gz HHSBURPDNOELHT-MRXNPFEDSA-N 2 0 308.466 2.922 20 0 DFADRP C[C@H]([NH2+][C@@H]1CCCC[C@@H]1O)c1ccc(OCC[NH+](C)C)cc1 ZINC000268863646 207032948 /nfs/dbraw/zinc/03/29/48/207032948.db2.gz GQGNPCKNDMUMLB-QGTPRVQTSA-N 2 0 306.450 2.581 20 0 DFADRP COc1ccc(C[NH2+]CC2=CC[N@H+](C)CC2)cc1OC1CC1 ZINC000623484790 399399313 /nfs/dbraw/zinc/39/93/13/399399313.db2.gz BZNAIXXPKIVQSE-UHFFFAOYSA-N 2 0 302.418 2.588 20 0 DFADRP CC[N@H+](CCN[C@H]1CC[NH+](Cc2ccccc2)C[C@@H]1C)C1CC1 ZINC000268895306 207064579 /nfs/dbraw/zinc/06/45/79/207064579.db2.gz ZUVPCYTYIWSCPY-PXNSSMCTSA-N 2 0 315.505 2.971 20 0 DFADRP CC(C)Oc1cccc([C@H](O)C[NH2+][C@@H]2C[C@H](C)[N@H+](C)C[C@@H]2C)c1 ZINC000268891460 207061698 /nfs/dbraw/zinc/06/16/98/207061698.db2.gz JUTUIDGGNIWLFM-ILRDRHFLSA-N 2 0 320.477 2.826 20 0 DFADRP CCC[N@@H+]1CC[C@@H](NC(=O)[C@H](c2ccccc2)[NH+](CC)CC)C1 ZINC000619900367 399403316 /nfs/dbraw/zinc/40/33/16/399403316.db2.gz ZSZOQRYSBRKCDI-MSOLQXFVSA-N 2 0 317.477 2.670 20 0 DFADRP CC(C)CC(=O)Nc1cccc(C[NH2+][C@H]2CCC[NH2+]CC2)c1 ZINC000422701248 296318377 /nfs/dbraw/zinc/31/83/77/296318377.db2.gz CZGGNHSFJBWMJF-INIZCTEOSA-N 2 0 303.450 2.903 20 0 DFADRP C[C@H]([NH3+])C[C@H](C)[NH2+]CCc1cc(Br)ccc1F ZINC000422703871 296319125 /nfs/dbraw/zinc/31/91/25/296319125.db2.gz OBEXNRJEILCRIG-UWVGGRQHSA-N 2 0 303.219 2.846 20 0 DFADRP Cc1ccc(CC[NH2+][C@@H]2CCOC[C@H]2[C@@H]2CCC[NH2+]2)c(C)c1 ZINC000422706196 296318844 /nfs/dbraw/zinc/31/88/44/296318844.db2.gz SZNVNNYSVIZGMT-GBESFXJTSA-N 2 0 302.462 2.593 20 0 DFADRP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1[NH2+]CC1(c2ccc(Cl)cc2)CC1 ZINC000422705985 296318864 /nfs/dbraw/zinc/31/88/64/296318864.db2.gz SLWNOVZPKCOMIC-RCBQFDQVSA-N 2 0 308.853 2.714 20 0 DFADRP COc1ccccc1[C@H](CN[C@@H]1CCC[C@H]1[NH3+])[NH+]1CCCCC1 ZINC000422704995 296318956 /nfs/dbraw/zinc/31/89/56/296318956.db2.gz BCJZGUXWJQHVFI-KURKYZTESA-N 2 0 317.477 2.692 20 0 DFADRP C[C@H]1CC[NH2+]CC[C@@H]1[NH2+]Cc1cc(Cl)c2c(c1)OCCO2 ZINC000422704193 296318968 /nfs/dbraw/zinc/31/89/68/296318968.db2.gz OTXLMYRNFNNFNC-FZMZJTMJSA-N 2 0 310.825 2.589 20 0 DFADRP Cc1ccc(CC[NH2+][C@@H]2CCOC[C@H]2[C@H]2CCC[NH2+]2)c(C)c1 ZINC000422706198 296318997 /nfs/dbraw/zinc/31/89/97/296318997.db2.gz SZNVNNYSVIZGMT-IPMKNSEASA-N 2 0 302.462 2.593 20 0 DFADRP CCOC(=O)C1([C@@H](C)[NH2+][C@H]2[C@H](C)CCC[C@@H]2C)CC[NH2+]CC1 ZINC000422706384 296319338 /nfs/dbraw/zinc/31/93/38/296319338.db2.gz UHTAVLAQJADSBS-QXSJWSMHSA-N 2 0 310.482 2.722 20 0 DFADRP C[C@@H](CCC[NH3+])[NH2+]Cc1ccc(NC(=O)c2ccco2)cc1 ZINC000422708385 296319421 /nfs/dbraw/zinc/31/94/21/296319421.db2.gz BWTCGQQMTOLJSB-ZDUSSCGKSA-N 2 0 301.390 2.749 20 0 DFADRP COc1ccc([C@@H](C[NH+](C)C)N[C@@H]2CC[N@H+](C)C(C)(C)C2)cc1 ZINC000623517885 399407299 /nfs/dbraw/zinc/40/72/99/399407299.db2.gz XBQYWYGUZMLQCB-SJLPKXTDSA-N 2 0 319.493 2.760 20 0 DFADRP C[C@H](C[NH2+][C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1)N1CCc2ccccc21 ZINC000422712920 296320341 /nfs/dbraw/zinc/32/03/41/296320341.db2.gz IXSWWVUTXAQXJO-QXCFHYIPSA-N 2 0 313.489 2.948 20 0 DFADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]C[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000422714605 296320453 /nfs/dbraw/zinc/32/04/53/296320453.db2.gz LFXUVNXCJZVJFC-YZGWKJHDSA-N 3 0 315.505 2.529 20 0 DFADRP C[C@H]([NH2+]Cc1cccc(NC(=O)C2CCCC2)c1)[C@H]1CC[NH2+]C1 ZINC000422714519 296320494 /nfs/dbraw/zinc/32/04/94/296320494.db2.gz RDRKMHOMLVCOIQ-YOEHRIQHSA-N 2 0 315.461 2.903 20 0 DFADRP C[C@H](NCc1ccc(OCCC[NH+](C)C)cc1)[C@H]1CCCC[NH2+]1 ZINC000422710535 296319740 /nfs/dbraw/zinc/31/97/40/296319740.db2.gz GAJNMVHSFXCNHZ-QFBILLFUSA-N 2 0 319.493 2.637 20 0 DFADRP COc1ccccc1[C@H](C[NH2+][C@@H](C)C[C@@H](C)[NH3+])N1CCCCC1 ZINC000422709302 296319857 /nfs/dbraw/zinc/31/98/57/296319857.db2.gz KIBXIXCPUVAJQN-RYRKJORJSA-N 2 0 319.493 2.938 20 0 DFADRP CCCC[N@H+](C)CCN[C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422709629 296319888 /nfs/dbraw/zinc/31/98/88/296319888.db2.gz KXPJNCXIZFLZNL-HKUYNNGSSA-N 2 0 317.477 2.564 20 0 DFADRP C[C@@H](C[NH2+]C1CCC(C[NH3+])CC1)N1CCc2ccccc2C1 ZINC000422719353 296321005 /nfs/dbraw/zinc/32/10/05/296321005.db2.gz QVPARRHECUPBLJ-LYGPFTKASA-N 2 0 301.478 2.540 20 0 DFADRP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cccc3nsnc32)[C@H](C)C1 ZINC000268953972 207119424 /nfs/dbraw/zinc/11/94/24/207119424.db2.gz SYBVQBHRNDBFCA-IUODEOHRSA-N 2 0 304.463 2.853 20 0 DFADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]C[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000422714602 296320703 /nfs/dbraw/zinc/32/07/03/296320703.db2.gz LFXUVNXCJZVJFC-HOJAQTOUSA-N 3 0 315.505 2.529 20 0 DFADRP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]C[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000422714546 296320721 /nfs/dbraw/zinc/32/07/21/296320721.db2.gz LAGVXNPJZTUUBA-HSALFYBXSA-N 3 0 315.505 2.658 20 0 DFADRP c1ccc(CCOCCCC[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000422722097 296321586 /nfs/dbraw/zinc/32/15/86/296321586.db2.gz ORFSTDWGMQDIDK-DFNIBXOVSA-N 2 0 302.462 2.899 20 0 DFADRP CC(C)CC(=O)Nc1cccc(C[NH2+][C@@H]2CCC[C@@H]2C[NH3+])c1 ZINC000422723735 296321790 /nfs/dbraw/zinc/32/17/90/296321790.db2.gz SGKMYGHWPYFQHL-NVXWUHKLSA-N 2 0 303.450 2.888 20 0 DFADRP CC(C)[C@H](CCc1ccccc1)[NH2+]CC1(O)CC[NH+](C)CC1 ZINC000268967061 207129735 /nfs/dbraw/zinc/12/97/35/207129735.db2.gz HGKYWNDUUPHUJX-SFHVURJKSA-N 2 0 304.478 2.690 20 0 DFADRP C[C@H](C[NH2+][C@H]1CCCCC[C@H]1[NH3+])N1CCc2ccccc2C1 ZINC000422720764 296321419 /nfs/dbraw/zinc/32/14/19/296321419.db2.gz TWCKNILJWJPIRK-LZQZEXGQSA-N 2 0 301.478 2.683 20 0 DFADRP Clc1cnccc1C[NH2+]CC1CC[NH+](C2CCOCC2)CC1 ZINC000623562369 399417275 /nfs/dbraw/zinc/41/72/75/399417275.db2.gz PRWGVOLIZYJEKC-UHFFFAOYSA-N 2 0 323.868 2.716 20 0 DFADRP COc1ccc(CCC[NH2+][C@@H](C)[C@H]2CCCC[NH2+]2)cc1OC ZINC000422724393 296322210 /nfs/dbraw/zinc/32/22/10/296322210.db2.gz VNOUEBLWAVHPHS-GOEBONIOSA-N 2 0 306.450 2.757 20 0 DFADRP Cc1c([C@H](C)[NH2+]CCCC[NH+](C)C)nnn1-c1ccc(F)cc1 ZINC000268992809 207149460 /nfs/dbraw/zinc/14/94/60/207149460.db2.gz KBFVKAQPWLIPNE-ZDUSSCGKSA-N 2 0 319.428 2.707 20 0 DFADRP C[C@@H]([NH3+])C[C@H](C)[NH2+]Cc1cccc(NC(=O)c2ccncc2)c1 ZINC000422729695 296322749 /nfs/dbraw/zinc/32/27/49/296322749.db2.gz IJYUWZYYXFCGMT-KGLIPLIRSA-N 2 0 312.417 2.549 20 0 DFADRP CCC[C@@H](C[NH2+]Cc1cn(-c2cc[nH+]cc2)nc1C)OCC ZINC000623598667 399424594 /nfs/dbraw/zinc/42/45/94/399424594.db2.gz JYHFZXKITYSUAE-KRWDZBQOSA-N 2 0 302.422 2.871 20 0 DFADRP C[C@@H]1CC[NH2+]CC[C@H]1NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000422731443 296323041 /nfs/dbraw/zinc/32/30/41/296323041.db2.gz LRVWARKICLOGSJ-BZUAXINKSA-N 2 0 307.507 2.863 20 0 DFADRP COc1cc([C@@H](C)[NH2+]CC2(O)CC[NH+](C)CC2)ccc1SC ZINC000268999124 207155122 /nfs/dbraw/zinc/15/51/22/207155122.db2.gz OSDRKFWRHASBGD-CYBMUJFWSA-N 2 0 324.490 2.524 20 0 DFADRP CCOc1cc(C[NH2+]C[C@@H]2CCCC[N@H+](C)C2)ccc1OC ZINC000623655041 399435637 /nfs/dbraw/zinc/43/56/37/399435637.db2.gz MVBBCJGPPFTUAV-INIZCTEOSA-N 2 0 306.450 2.915 20 0 DFADRP COc1cc([C@@H](C)[NH2+]CCCC[NH+](C)C)cc(OC)c1OC ZINC000269048745 207198512 /nfs/dbraw/zinc/19/85/12/207198512.db2.gz VLJMPGJDWVGENC-CYBMUJFWSA-N 2 0 310.438 2.705 20 0 DFADRP Cc1ccc(-c2n[nH]cc2C[NH2+]C[C@H]2CCCC[N@@H+](C)C2)o1 ZINC000623656492 399437024 /nfs/dbraw/zinc/43/70/24/399437024.db2.gz VJHOMVYLUFPAPX-CQSZACIVSA-N 2 0 302.422 2.800 20 0 DFADRP C[C@@H]([NH2+]CCCC[NH+](C)C)c1cccc(N2CCOC2=O)c1 ZINC000269056326 207206027 /nfs/dbraw/zinc/20/60/27/207206027.db2.gz WYIICWQTCMOPRP-CQSZACIVSA-N 2 0 305.422 2.636 20 0 DFADRP C[C@@H]([NH2+]CC1(O)CC[NH+](C)CC1)c1ccc(F)cc1Cl ZINC000269081705 207227199 /nfs/dbraw/zinc/22/71/99/207227199.db2.gz ZUFYLQBSZNDUCU-LLVKDONJSA-N 2 0 300.805 2.586 20 0 DFADRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@H]1CCc2c1cccc2OC ZINC000269096963 207237537 /nfs/dbraw/zinc/23/75/37/207237537.db2.gz SANFTUSGJKQPIS-PBHICJAKSA-N 2 0 306.450 2.629 20 0 DFADRP C[C@H]([NH2+][C@@H](C)C1CC[NH+](C)CC1)c1ccc([S@](C)=O)cc1 ZINC000611337478 399462993 /nfs/dbraw/zinc/46/29/93/399462993.db2.gz OYHCTXQNVIVSDV-RXSFTSLZSA-N 2 0 308.491 2.805 20 0 DFADRP C[C@@H]1C[C@H](NCc2ccc[nH]c2=O)CC[N@@H+]1Cc1ccccc1 ZINC000623777326 399464258 /nfs/dbraw/zinc/46/42/58/399464258.db2.gz AJAYLWJATLJDRQ-CRAIPNDOSA-N 2 0 311.429 2.930 20 0 DFADRP CN(C)c1ncc(C[NH2+]Cc2csc(C(F)(F)F)c2)n1C ZINC000623778409 399464611 /nfs/dbraw/zinc/46/46/11/399464611.db2.gz ONMWVWVHIHPDOZ-UHFFFAOYSA-N 2 0 318.368 2.856 20 0 DFADRP CCC[NH+](CCC)CCCC(=O)NC[C@@H]([NH3+])c1ccccc1 ZINC000269176074 207297377 /nfs/dbraw/zinc/29/73/77/207297377.db2.gz MOTIDLPORJEPPG-QGZVFWFLSA-N 2 0 305.466 2.705 20 0 DFADRP CCC[N@H+](CC)Cc1ccc(C(=O)N2CCCC[C@H]2C[NH3+])cc1 ZINC000269168414 207291022 /nfs/dbraw/zinc/29/10/22/207291022.db2.gz DPRHTZKUQHNTIN-SFHVURJKSA-N 2 0 317.477 2.872 20 0 DFADRP C[C@H](CCc1ccc(Br)cc1)[NH2+][C@H](C)C1C[NH2+]C1 ZINC000422739530 296324452 /nfs/dbraw/zinc/32/44/52/296324452.db2.gz LQSLUGSIGNJKPT-VXGBXAGGSA-N 2 0 311.267 2.968 20 0 DFADRP CC[N@H+](Cc1ccc(C(=O)N2CC[C@@H]([NH3+])[C@H](C)C2)cc1)C(C)C ZINC000269212770 207332082 /nfs/dbraw/zinc/33/20/82/207332082.db2.gz OLIVTSSQNWVRHF-CRAIPNDOSA-N 2 0 317.477 2.726 20 0 DFADRP [NH3+]C[C@@H]1CCCC[C@H]1NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000422735328 296323731 /nfs/dbraw/zinc/32/37/31/296323731.db2.gz VZCJEZSZMRZQDM-ARFHVFGLSA-N 2 0 307.507 2.992 20 0 DFADRP [NH3+]C[C@H]1CCC[C@@H]1[NH2+]Cc1ccccc1OCC(F)(F)F ZINC000422736621 296323767 /nfs/dbraw/zinc/32/37/67/296323767.db2.gz YKCUZHJSBCRAQW-YPMHNXCESA-N 2 0 302.340 2.845 20 0 DFADRP CC(C)[N@@H+]1CCC[C@H](CN[C@H](Cc2ccccc2)[C@H](C)[NH3+])C1 ZINC000422737169 296323890 /nfs/dbraw/zinc/32/38/90/296323890.db2.gz HTHPVWXBKKSOJW-QXAKKESOSA-N 2 0 303.494 2.655 20 0 DFADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]Cc1cccc(-n2ccnc2)c1 ZINC000422743210 296325022 /nfs/dbraw/zinc/32/50/22/296325022.db2.gz IGDJOOKIYMPWLB-AWEZNQCLSA-N 2 0 321.428 2.885 20 0 DFADRP OCc1cccc(C[NH2+][C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)c1 ZINC000422743139 296325034 /nfs/dbraw/zinc/32/50/34/296325034.db2.gz QZAFIRPKIVHYQR-AZUAARDMSA-N 2 0 324.424 2.524 20 0 DFADRP CCC[NH+]1CCC(C[NH2+]Cc2cc(C(=O)OC)cs2)CC1 ZINC000602551705 399473729 /nfs/dbraw/zinc/47/37/29/399473729.db2.gz QIZZQVJPAMXAIE-UHFFFAOYSA-N 2 0 310.463 2.746 20 0 DFADRP CO[C@H]1C[C@@H](C[NH2+]Cc2ccc(OCC[NH+]3CCCC3)cc2)C1 ZINC000623822313 399473415 /nfs/dbraw/zinc/47/34/15/399473415.db2.gz CUPCADWEOSQDNV-IZAXUBKRSA-N 2 0 318.461 2.676 20 0 DFADRP C[NH+](C)CCc1ccc(NC(=O)[C@@H]2C[C@@H]3CCCC[C@@H]3[NH2+]2)cc1 ZINC000269226819 207348954 /nfs/dbraw/zinc/34/89/54/207348954.db2.gz APPZILCURVXPAO-SZMVWBNQSA-N 2 0 315.461 2.650 20 0 DFADRP COc1ccccc1[C@H](CN[C@@H]1CCC[C@@H]1C[NH3+])[NH+]1CCCC1 ZINC000422748587 296325594 /nfs/dbraw/zinc/32/55/94/296325594.db2.gz VEZJIGUZQNOSTF-NXHRZFHOSA-N 2 0 317.477 2.549 20 0 DFADRP COc1ccccc1[C@H](CN[C@@H]1CCC[C@H]1C[NH3+])[NH+]1CCCC1 ZINC000422748585 296325671 /nfs/dbraw/zinc/32/56/71/296325671.db2.gz VEZJIGUZQNOSTF-JQHSSLGASA-N 2 0 317.477 2.549 20 0 DFADRP C[C@H](NC1CC[NH+]([C@@H](C)c2ccccc2)CC1)[C@@H]1CC[NH2+]C1 ZINC000422748216 296325844 /nfs/dbraw/zinc/32/58/44/296325844.db2.gz SMYCUJVTCAWIBB-XYJFISCASA-N 2 0 301.478 2.800 20 0 DFADRP COc1cccc([C@H](CN[C@@H](C)[C@H]2CCC[NH2+]2)[NH+]2CCCC2)c1 ZINC000422753331 296326828 /nfs/dbraw/zinc/32/68/28/296326828.db2.gz GDUXWWKZKCRPJR-IPELMVKDSA-N 2 0 317.477 2.562 20 0 DFADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]CCN(C)Cc1ccccc1 ZINC000422750822 296326081 /nfs/dbraw/zinc/32/60/81/296326081.db2.gz BUNJHUXZZZYVJF-OAHLLOKOSA-N 2 0 312.461 2.631 20 0 DFADRP COc1ccccc1[C@H](C[NH2+][C@@H](C)C[C@@H](C)[NH3+])N1CCCC1 ZINC000422749006 296326152 /nfs/dbraw/zinc/32/61/52/296326152.db2.gz WZUOCZKPQBWKPK-VYDXJSESSA-N 2 0 305.466 2.548 20 0 DFADRP CC[NH+]1CCC(CC[NH2+]Cc2cc(C(=O)OC)cs2)CC1 ZINC000602557417 399475049 /nfs/dbraw/zinc/47/50/49/399475049.db2.gz JVAZINSSGIBHOE-UHFFFAOYSA-N 2 0 310.463 2.746 20 0 DFADRP [NH3+][C@@H]1CCC[C@H]1[NH2+]CCCc1ccc(Br)cc1F ZINC000422751211 296326457 /nfs/dbraw/zinc/32/64/57/296326457.db2.gz AXZJDRQSPCFOON-ZIAGYGMSSA-N 2 0 315.230 2.990 20 0 DFADRP Cc1cc(F)ccc1N1CCC[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000422750994 296326608 /nfs/dbraw/zinc/32/66/08/296326608.db2.gz ATRZVMYFDLBLLB-KTGAGVNESA-N 2 0 317.452 2.976 20 0 DFADRP C[C@@H]([NH2+]CC1(c2cccc(Cl)c2)CCOCC1)[C@@H]1CC[NH2+]C1 ZINC000422755445 296327287 /nfs/dbraw/zinc/32/72/87/296327287.db2.gz HTFSDPBXOCELMJ-HUUCEWRRSA-N 2 0 322.880 2.976 20 0 DFADRP c1nc2ccccc2n1CC[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1 ZINC000422754955 296327349 /nfs/dbraw/zinc/32/73/49/296327349.db2.gz GKHHJXKKVVRFAZ-IXDOHACOSA-N 2 0 312.461 2.937 20 0 DFADRP CCS[C@H]1CCC[C@@H]([NH2+]C2CC[NH+](CC(C)(C)O)CC2)C1 ZINC000602569789 399478656 /nfs/dbraw/zinc/47/86/56/399478656.db2.gz SHLRTTFHKOZFIH-CVEARBPZSA-N 2 0 314.539 2.876 20 0 DFADRP C[C@H](C[C@H](C)[NH3+])NCC1([NH2+][C@@H](C)c2ccccc2)CCOCC1 ZINC000422761741 296328597 /nfs/dbraw/zinc/32/85/97/296328597.db2.gz METNSPOGJHGCKR-BBWFWOEESA-N 2 0 319.493 2.602 20 0 DFADRP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+]C[C@@H](CO)Cc1ccc(F)cc1 ZINC000422762123 296328785 /nfs/dbraw/zinc/32/87/85/296328785.db2.gz NNVSQDFJQAXDRA-HHXXYDBFSA-N 2 0 322.468 2.877 20 0 DFADRP C[C@@H](NCC1([NH2+][C@@H](C)c2ccccc2)CCCC1)C1C[NH2+]C1 ZINC000422762819 296328895 /nfs/dbraw/zinc/32/88/95/296328895.db2.gz MVHQRJROULZZNW-CVEARBPZSA-N 2 0 301.478 2.848 20 0 DFADRP CC[C@H]([NH2+]CCc1ccc2c(c1)OCCO2)[C@@H]1CCCC[NH2+]1 ZINC000422765463 296329307 /nfs/dbraw/zinc/32/93/07/296329307.db2.gz WBWLGKDYNGBBDO-HOTGVXAUSA-N 2 0 304.434 2.511 20 0 DFADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]CCc1ccc(Br)cc1 ZINC000422770067 296330269 /nfs/dbraw/zinc/33/02/69/296330269.db2.gz WIQKQDUPXPFREY-DOMZBBRYSA-N 2 0 311.267 2.969 20 0 DFADRP C[C@H]1CC[NH2+]CC[C@H]1[NH2+]CCc1ccc(Br)cc1 ZINC000422770069 296330372 /nfs/dbraw/zinc/33/03/72/296330372.db2.gz WIQKQDUPXPFREY-SWLSCSKDSA-N 2 0 311.267 2.969 20 0 DFADRP COc1ccc([C@H](N[C@@H]2CC[N@H+](C)[C@H](C)C2)[C@H]2CCC[NH2+]2)cc1 ZINC000422776798 296331093 /nfs/dbraw/zinc/33/10/93/296331093.db2.gz DMSKEPSXTDHEDV-OPNNQBFTSA-N 2 0 317.477 2.561 20 0 DFADRP C[C@@H](NC[C@@H]1CCCC[N@@H+]1Cc1ccccc1)[C@@H]1CCC[NH2+]1 ZINC000422776510 296330974 /nfs/dbraw/zinc/33/09/74/296330974.db2.gz CTKXVWOWMXOVQS-NEWSRXKRSA-N 2 0 301.478 2.771 20 0 DFADRP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]C[C@H](CCO)c1ccccc1 ZINC000422775589 296331022 /nfs/dbraw/zinc/33/10/22/296331022.db2.gz BYRTZMDBTFJQCF-FFZOFVMBSA-N 2 0 312.457 2.701 20 0 DFADRP COc1ccc([C@H](C)CC[NH2+][C@@H]2CCOC[C@@H]2[C@H](C)[NH3+])cc1 ZINC000422776077 296331027 /nfs/dbraw/zinc/33/10/27/296331027.db2.gz CCANNDZMOVBZGV-LTCOOKNTSA-N 2 0 306.450 2.531 20 0 DFADRP CCOC(=O)C1([C@H](C)[NH2+]Cc2ccccc2CC)CC[NH2+]CC1 ZINC000422776508 296331071 /nfs/dbraw/zinc/33/10/71/296331071.db2.gz DTEPYOYYQNLOMX-HNNXBMFYSA-N 2 0 318.461 2.660 20 0 DFADRP C[C@@H]1Cc2ccccc2N1CC[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000422773603 296330676 /nfs/dbraw/zinc/33/06/76/296330676.db2.gz YYACKFUIQQOUPE-LULLPPNCSA-N 2 0 313.489 2.948 20 0 DFADRP Cc1nc2ccccc2n1CC[NH2+][C@@H](Cc1ccccc1)[C@@H](C)[NH3+] ZINC000422782640 296331937 /nfs/dbraw/zinc/33/19/37/296331937.db2.gz JWMPTAYWXVIJNA-BEFAXECRSA-N 2 0 322.456 2.893 20 0 DFADRP C[C@H]([NH3+])[C@@H]1COCC[C@H]1[NH2+]CCSc1ccc(Cl)cc1 ZINC000422774884 296331192 /nfs/dbraw/zinc/33/11/92/296331192.db2.gz YVJMCTBMEWHPEM-TUKIKUTGSA-N 2 0 314.882 2.774 20 0 DFADRP CC(C)CCOCC[NH2+][C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422779814 296331702 /nfs/dbraw/zinc/33/17/02/296331702.db2.gz JFNIBRONXHBEEH-HKUYNNGSSA-N 2 0 318.461 2.895 20 0 DFADRP COc1ccc([C@H](C)[NH2+][C@H](C)C2C[NH2+]C2)cc1Br ZINC000422781750 296332075 /nfs/dbraw/zinc/33/20/75/296332075.db2.gz JCZNFLBDPUGGKI-VHSXEESVSA-N 2 0 313.239 2.716 20 0 DFADRP C[C@@H]1CC[NH2+]C[C@@H]1NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000422783848 296332331 /nfs/dbraw/zinc/33/23/31/296332331.db2.gz IARNWKAVIILXKB-APWZRJJASA-N 2 0 301.478 2.760 20 0 DFADRP COc1ccc(CC[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)c(OC)c1 ZINC000422787701 296333073 /nfs/dbraw/zinc/33/30/73/296333073.db2.gz UXUBORPLOIKAQM-RCCFBDPRSA-N 2 0 318.461 2.757 20 0 DFADRP Cc1nn(Cc2ccccc2)c(C)c1C[NH2+][C@H]1CCC[C@H]1C[NH3+] ZINC000422791655 296333585 /nfs/dbraw/zinc/33/35/85/296333585.db2.gz QLUKWGUTNHZGSX-HKUYNNGSSA-N 2 0 312.461 2.765 20 0 DFADRP CC(C)COCCC[NH2+][C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422792302 296333627 /nfs/dbraw/zinc/33/36/27/296333627.db2.gz WCZVUWJOWWNHPW-IEBWSBKVSA-N 2 0 318.461 2.895 20 0 DFADRP C[C@H](CCC[NH3+])[NH2+]C[C@H](C)Oc1cccc(Br)c1 ZINC000422795261 296333981 /nfs/dbraw/zinc/33/39/81/296333981.db2.gz HFVJWYJUYIKVTB-NEPJUHHUSA-N 2 0 315.255 2.933 20 0 DFADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]CCNc1ncc(Cl)cc1Cl ZINC000422795178 296333982 /nfs/dbraw/zinc/33/39/82/296333982.db2.gz ZUOAUSCCQBIHGZ-ZWNOBZJWSA-N 2 0 317.264 2.778 20 0 DFADRP C[C@H](C[NH2+][C@@H](C)CCC[NH3+])Oc1cccc(Br)c1 ZINC000422795262 296334050 /nfs/dbraw/zinc/33/40/50/296334050.db2.gz HFVJWYJUYIKVTB-NWDGAFQWSA-N 2 0 315.255 2.933 20 0 DFADRP [NH3+][C@H]1CCCCC[C@@H]1[NH2+]CCc1ccn(-c2ccc(F)cc2)n1 ZINC000422796635 296334370 /nfs/dbraw/zinc/33/43/70/296334370.db2.gz YTNYZBZFWNKBIC-ROUUACIJSA-N 2 0 316.424 2.804 20 0 DFADRP COc1ccc2cc(C[NH2+][C@@H]3CCOC[C@@H]3[C@@H](C)[NH3+])ccc2c1 ZINC000422797761 296334714 /nfs/dbraw/zinc/33/47/14/296334714.db2.gz OJQAQAMLLWMSMM-UPRAQXHNSA-N 2 0 314.429 2.690 20 0 DFADRP CC[NH+](CC)[C@H](CN[C@H](C)C[C@@H](C)[NH3+])c1cccc(OC)c1 ZINC000422793497 296334210 /nfs/dbraw/zinc/33/42/10/296334210.db2.gz FPROJBNYBBIKQR-IIDMSEBBSA-N 2 0 307.482 2.794 20 0 DFADRP Cc1nc(C[NH3+])ccc1[C@@H](C)N[C@H]1CC[N@H+](CC2CCCC2)C1 ZINC000422798338 296334778 /nfs/dbraw/zinc/33/47/78/296334778.db2.gz QRRXJENDEAEOTP-QAPCUYQASA-N 2 0 316.493 2.764 20 0 DFADRP CC[NH+](CC)[C@H](CN[C@@H]1CCC[C@@H]1[NH3+])c1cccc(OC)c1 ZINC000422797595 296334942 /nfs/dbraw/zinc/33/49/42/296334942.db2.gz NNJCARYBBNTVES-RCCFBDPRSA-N 2 0 305.466 2.548 20 0 DFADRP CCOC(=O)C1([C@@H](C)[NH2+]Cc2ccc(C)c(F)c2)CC[NH2+]CC1 ZINC000422800146 296335252 /nfs/dbraw/zinc/33/52/52/296335252.db2.gz ZGGYRXTVEBUVKX-CQSZACIVSA-N 2 0 322.424 2.545 20 0 DFADRP C[C@H](CCC[NH3+])[NH2+]CC1(c2ccc3c(c2)OCCO3)CCCC1 ZINC000422800044 296335277 /nfs/dbraw/zinc/33/52/77/296335277.db2.gz ZGGXTYPIPQFXCD-OAHLLOKOSA-N 2 0 318.461 2.987 20 0 DFADRP CC(C)[C@H]([NH3+])C(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC000269255132 207395107 /nfs/dbraw/zinc/39/51/07/207395107.db2.gz ROMPOTWMPWSWJT-KRWDZBQOSA-N 2 0 303.450 2.637 20 0 DFADRP COc1ccc(C[NH2+][C@@H]2CC[NH2+]CC[C@H]2C)cc1OC(F)F ZINC000422803608 296335818 /nfs/dbraw/zinc/33/58/18/296335818.db2.gz CZRQANBHQIVUAY-DGCLKSJQSA-N 2 0 314.376 2.774 20 0 DFADRP [NH3+][C@@H]1CC[C@H](C(=O)Nc2ccc(CC[NH+]3CCCCC3)cc2)C1 ZINC000269256369 207398834 /nfs/dbraw/zinc/39/88/34/207398834.db2.gz SGMODTNZILBTPT-DLBZAZTESA-N 2 0 315.461 2.781 20 0 DFADRP C[C@@H](NCc1cccc(C[NH+]2CCCC2)c1)[C@@H]1CCCC[NH2+]1 ZINC000422811008 296337216 /nfs/dbraw/zinc/33/72/16/296337216.db2.gz SVLQPJCDUGOFRU-APWZRJJASA-N 2 0 301.478 2.903 20 0 DFADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]Cc1cc(N(C)C)nc2ccccc12 ZINC000422807329 296336570 /nfs/dbraw/zinc/33/65/70/296336570.db2.gz MHJWQFNBFZKMLZ-PBHICJAKSA-N 2 0 312.461 2.779 20 0 DFADRP CCN(CC)C(=O)c1ccc(C[NH2+][C@@H]2CCCC[C@H]2C[NH3+])cc1 ZINC000422807272 296336589 /nfs/dbraw/zinc/33/65/89/296336589.db2.gz JPPFGFSDERBZOM-ZWKOTPCHSA-N 2 0 317.477 2.776 20 0 DFADRP CO[C@H](C[NH2+][C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)C(C)(C)C ZINC000422807231 296336668 /nfs/dbraw/zinc/33/66/68/296336668.db2.gz JLJIHXIXEYSQJQ-KVSKMBFKSA-N 2 0 318.461 2.893 20 0 DFADRP CC[C@H](CNC1C[C@H]2CC[C@@H](C1)[NH2+]2)[N@@H+]1CCc2ccccc2C1 ZINC000422812227 296337717 /nfs/dbraw/zinc/33/77/17/296337717.db2.gz VWYKOTLKZNRWRK-JIRNRHONSA-N 2 0 313.489 2.696 20 0 DFADRP COc1ccc(C[NH2+]C2CCC(C[NH3+])CC2)cc1OC(F)F ZINC000422814406 296338000 /nfs/dbraw/zinc/33/80/00/296338000.db2.gz UQMWIOPBCIPXPG-UHFFFAOYSA-N 2 0 314.376 2.904 20 0 DFADRP CC[C@H](C[NH2+][C@@H]1CC[NH2+]CC[C@H]1C)N1CCc2ccccc2C1 ZINC000422812573 296337525 /nfs/dbraw/zinc/33/75/25/296337525.db2.gz WOQPNNCTRBVUJF-NSISKUIASA-N 2 0 315.505 2.801 20 0 DFADRP C[C@H](C[C@H](C)[NH3+])[NH2+]Cc1ccc(COCC(F)(F)F)cc1 ZINC000422811593 296337597 /nfs/dbraw/zinc/33/75/97/296337597.db2.gz PKGRTHOIAGVSSQ-NWDGAFQWSA-N 2 0 304.356 2.981 20 0 DFADRP C[C@@H]1C[N@H+](CCC(=O)Nc2cccc3ccccc32)C[C@H]1C[NH3+] ZINC000631841741 399506077 /nfs/dbraw/zinc/50/60/77/399506077.db2.gz PDSLJOBFWFVELB-GDBMZVCRSA-N 2 0 311.429 2.695 20 0 DFADRP C[N@H+](CCN[C@H]1C[C@@H]([NH3+])c2ccccc21)Cc1ccc(F)cc1 ZINC000422818994 296338993 /nfs/dbraw/zinc/33/89/93/296338993.db2.gz LXRXGOOPOXTYHG-MOPGFXCFSA-N 2 0 313.420 2.992 20 0 DFADRP [NH3+]C[C@H]1CCCC[C@H]1[NH2+]CCC1CCN(CC(F)(F)F)CC1 ZINC000422821259 296339334 /nfs/dbraw/zinc/33/93/34/296339334.db2.gz VGHPSBRVKVIVOA-HUUCEWRRSA-N 2 0 321.431 2.758 20 0 DFADRP C[C@H](CCCC[NH3+])[NH2+]Cc1cccnc1OCC(F)(F)F ZINC000422822506 296339271 /nfs/dbraw/zinc/33/92/71/296339271.db2.gz BAYJQJFCELEDHD-LLVKDONJSA-N 2 0 305.344 2.630 20 0 DFADRP c1c(CC[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)nc2ccccn12 ZINC000422815818 296338402 /nfs/dbraw/zinc/33/84/02/296338402.db2.gz CNNWRQAYQFVDTR-KZNAEPCWSA-N 2 0 312.461 2.777 20 0 DFADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]CCc1ccccc1Br ZINC000422825348 296339963 /nfs/dbraw/zinc/33/99/63/296339963.db2.gz JOQOUPSCFMTRKS-DOMZBBRYSA-N 2 0 311.267 2.969 20 0 DFADRP C[C@H](CCNC1C[C@H]2CC[C@@H](C1)[NH2+]2)[N@H+](C)Cc1ccccc1 ZINC000422825218 296340103 /nfs/dbraw/zinc/34/01/03/296340103.db2.gz PIWVDJQFMOQAAV-YJJAZYOBSA-N 2 0 301.478 2.770 20 0 DFADRP CC(C)(C[NH2+][C@@H]1CCCC[C@H]1C[NH3+])c1ccc2c(c1)OCCO2 ZINC000422824991 296340122 /nfs/dbraw/zinc/34/01/22/296340122.db2.gz OVDMQYZFLCACPV-GOEBONIOSA-N 2 0 318.461 2.843 20 0 DFADRP COc1cc(C[NH2+][C@@H](C)C[C@H](C)[NH3+])ccc1OCC(F)(F)F ZINC000422831422 296341053 /nfs/dbraw/zinc/34/10/53/296341053.db2.gz STHHQGQSPFKFFP-QWRGUYRKSA-N 2 0 320.355 2.852 20 0 DFADRP c1ccc(NCCC[NH2+][C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)nc1 ZINC000422831321 296341197 /nfs/dbraw/zinc/34/11/97/296341197.db2.gz DRFUFRYHCIYQDG-GVDBMIGSSA-N 2 0 302.466 2.784 20 0 DFADRP CCCOc1ccc(C[NH2+][C@H]2CC[NH2+]CC[C@@H]2C)cc1OC ZINC000422827019 296340296 /nfs/dbraw/zinc/34/02/96/296340296.db2.gz MLDHEMOUVJPITK-HOCLYGCPSA-N 2 0 306.450 2.962 20 0 DFADRP [NH3+]CC1CCC([NH2+]Cc2nccn2CCc2ccccc2)CC1 ZINC000422826803 296340303 /nfs/dbraw/zinc/34/03/03/296340303.db2.gz CQJXHEYKFKVPEQ-UHFFFAOYSA-N 2 0 312.461 2.733 20 0 DFADRP Cc1ccc([C@H](CN[C@@H](C)[C@H]2CC[NH2+]C2)[NH+]2CCCC2)cc1 ZINC000422826673 296340382 /nfs/dbraw/zinc/34/03/82/296340382.db2.gz LRUZYFCXLFENGC-WDSOQIARSA-N 2 0 301.478 2.720 20 0 DFADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]C[C@H]1CCCN(Cc2cccs2)C1 ZINC000422839510 296342425 /nfs/dbraw/zinc/34/24/25/296342425.db2.gz QJAOJKOVWSWLHR-JFIYKMOQSA-N 2 0 321.534 2.938 20 0 DFADRP CC[NH+](CC)[C@@H](CN[C@@H]1CCC[NH2+]CC1)Cc1ccccc1 ZINC000422836740 296341989 /nfs/dbraw/zinc/34/19/89/296341989.db2.gz RWUXJWSUVWFGCF-RTBURBONSA-N 2 0 303.494 2.671 20 0 DFADRP C[C@@H](NC[C@@H](c1cccc(Cl)c1)[NH+]1CCCC1)C1C[NH2+]C1 ZINC000422843530 296343336 /nfs/dbraw/zinc/34/33/36/296343336.db2.gz IQGZCDOHRDZMIY-DYVFJYSZSA-N 2 0 307.869 2.674 20 0 DFADRP C[C@H](NC[C@H](c1cccc(Cl)c1)[NH+]1CCCC1)C1C[NH2+]C1 ZINC000422843532 296343516 /nfs/dbraw/zinc/34/35/16/296343516.db2.gz IQGZCDOHRDZMIY-SUMWQHHRSA-N 2 0 307.869 2.674 20 0 DFADRP C[C@H](N[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1)[C@@H]1CCC[NH2+]1 ZINC000422841317 296342574 /nfs/dbraw/zinc/34/25/74/296342574.db2.gz VSEHOTSKVPOMNP-CAMMJAKZSA-N 2 0 301.478 2.770 20 0 DFADRP C1CCC([NH+]2CCC(N[C@H]3CCC[C@@H]3[C@@H]3CCC[NH2+]3)CC2)C1 ZINC000422840906 296342776 /nfs/dbraw/zinc/34/27/76/296342776.db2.gz USXREOQUSAYDHU-QYZOEREBSA-N 2 0 305.510 2.904 20 0 DFADRP C[C@@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]CCC(=O)N1CCCCCC1 ZINC000422843008 296343166 /nfs/dbraw/zinc/34/31/66/296343166.db2.gz GRFAUNPOVXRLJT-IRXDYDNUSA-N 2 0 309.498 2.680 20 0 DFADRP C[C@H]([NH3+])C[C@H](C)[NH2+]C[C@H](C)Oc1ccccc1Br ZINC000422842877 296343200 /nfs/dbraw/zinc/34/32/00/296343200.db2.gz ZJWMGVZLZHCZPM-SRVKXCTJSA-N 2 0 315.255 2.932 20 0 DFADRP C[C@@H](C[C@H]1CCCCC[NH2+]1)[NH2+]CCC(=O)NCc1ccccc1 ZINC000422848471 296344269 /nfs/dbraw/zinc/34/42/69/296344269.db2.gz TYALUZWGDDTHGU-FUHWJXTLSA-N 2 0 317.477 2.593 20 0 DFADRP CCOCCOc1cc(C)ccc1C[NH2+]C1CCC([NH3+])CC1 ZINC000422849393 296344568 /nfs/dbraw/zinc/34/45/68/296344568.db2.gz BVRNIAMISUIJGZ-UHFFFAOYSA-N 2 0 306.450 2.770 20 0 DFADRP COc1ccccc1N1CC[C@@H](C[NH2+][C@H](C)CCCC[NH3+])C1 ZINC000422847404 296344098 /nfs/dbraw/zinc/34/40/98/296344098.db2.gz IBZKJKJKGJBPBS-CVEARBPZSA-N 2 0 305.466 2.629 20 0 DFADRP C[C@H]1CC[NH2+]CC[C@@H]1[NH2+]Cc1ccnc(OCC(F)(F)F)c1 ZINC000422855822 296345609 /nfs/dbraw/zinc/34/56/09/296345609.db2.gz FHDKKYVGMUVLAO-AAEUAGOBSA-N 2 0 317.355 2.500 20 0 DFADRP COC[C@@H](CCC[NH3+])[NH2+]Cc1ccc(Oc2ccccc2)nc1 ZINC000422850497 296344793 /nfs/dbraw/zinc/34/47/93/296344793.db2.gz VXAQDDRWYNLCAL-MRXNPFEDSA-N 2 0 315.417 2.717 20 0 DFADRP Cc1cc(C)n(-c2ccc(CC[NH2+][C@H](C)CCC[NH3+])cc2)n1 ZINC000422857457 296345979 /nfs/dbraw/zinc/34/59/79/296345979.db2.gz HQJXUXDRYKLSFN-CQSZACIVSA-N 2 0 300.450 2.749 20 0 DFADRP Cc1cc(C)n(-c2ccc(CC[NH2+][C@H](C)C[C@@H](C)[NH3+])cc2)n1 ZINC000422861650 296346357 /nfs/dbraw/zinc/34/63/57/296346357.db2.gz MUIIMJUJUJDGSB-ZIAGYGMSSA-N 2 0 300.450 2.747 20 0 DFADRP Cc1ccc(C[NH2+][C@@H](C)CCC[NH3+])c(OC[C@@H]2CCCO2)c1 ZINC000422872032 296347993 /nfs/dbraw/zinc/34/79/93/296347993.db2.gz FJUSWPKZYXXVTD-RDJZCZTQSA-N 2 0 306.450 2.770 20 0 DFADRP CSc1cc(C)ccc1C[NH2+][C@@H]1CCOC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000422872618 296348029 /nfs/dbraw/zinc/34/80/29/296348029.db2.gz HWPWZFVEQSFNFJ-YESZJQIVSA-N 2 0 320.502 2.964 20 0 DFADRP C[C@H](N[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1)[C@@H]1CCC[NH2+]C1 ZINC000422872823 296348095 /nfs/dbraw/zinc/34/80/95/296348095.db2.gz ITQQVDPBRSXMMU-UKBAYJJMSA-N 2 0 301.478 2.627 20 0 DFADRP Cc1ccc(C[NH2+][C@H](C)CCC[NH3+])c(OC[C@@H]2CCCO2)c1 ZINC000422872033 296348111 /nfs/dbraw/zinc/34/81/11/296348111.db2.gz FJUSWPKZYXXVTD-WBVHZDCISA-N 2 0 306.450 2.770 20 0 DFADRP C[C@@H]1C[C@H](N[C@@H]2CCCCC[C@@H]2[NH3+])C[N@@H+]1Cc1ccccc1 ZINC000422873378 296348198 /nfs/dbraw/zinc/34/81/98/296348198.db2.gz LEEOQSKOFYSKBH-XGXHKWSGSA-N 2 0 301.478 2.899 20 0 DFADRP C[C@H]([NH3+])C[C@H](C)[NH2+][C@@H](C)c1ccc(NC(=O)NC2CC2)cc1 ZINC000422873663 296348232 /nfs/dbraw/zinc/34/82/32/296348232.db2.gz AYVJZERBFSYILO-AVGNSLFASA-N 2 0 304.438 2.747 20 0 DFADRP Cc1cc(C)n(-c2ccc(CC[NH2+][C@H](C)[C@@H]3CC[NH2+]C3)cc2)n1 ZINC000422867672 296347263 /nfs/dbraw/zinc/34/72/63/296347263.db2.gz STXYMACRUAWEBG-SJLPKXTDSA-N 2 0 312.461 2.619 20 0 DFADRP CO[C@@H](C[NH2+]CC1(SC)CC[NH+](C)CC1)Cc1ccccc1 ZINC000602667286 399511500 /nfs/dbraw/zinc/51/15/00/399511500.db2.gz PKDXKUXZONGLFS-QGZVFWFLSA-N 2 0 322.518 2.661 20 0 DFADRP COc1cc([C@H](C)[NH2+][C@@H]2CCC[NH2+]CC2)cc(OC)c1OC ZINC000422876345 296348651 /nfs/dbraw/zinc/34/86/51/296348651.db2.gz GFHSQHFSDJCPGW-GXTWGEPZSA-N 2 0 308.422 2.505 20 0 DFADRP COc1cc([C@@H](C)[NH2+][C@H]2CCC[NH2+]CC2)cc(OC)c1OC ZINC000422876347 296348812 /nfs/dbraw/zinc/34/88/12/296348812.db2.gz GFHSQHFSDJCPGW-OCCSQVGLSA-N 2 0 308.422 2.505 20 0 DFADRP C[C@H]([NH3+])[C@H](Cc1ccccc1)NCC[N@H+]1[C@H](C)CCC[C@@H]1C ZINC000422883132 296350214 /nfs/dbraw/zinc/35/02/14/296350214.db2.gz BQTDQQDTRLNGIA-ZMMAXQRCSA-N 2 0 303.494 2.797 20 0 DFADRP CC[N@H+](CCN[C@H](c1ccc(OC)cc1)[C@H]1CCC[NH2+]1)C(C)C ZINC000422883667 296350261 /nfs/dbraw/zinc/35/02/61/296350261.db2.gz VIUGHIIGNPOPPT-RTBURBONSA-N 2 0 319.493 2.808 20 0 DFADRP Cc1ccc(Cl)cc1N1CC[C@H](C[NH2+][C@@H](C)C2C[NH2+]C2)C1 ZINC000422881602 296349671 /nfs/dbraw/zinc/34/96/71/296349671.db2.gz QQPWVPVKWHWEST-UONOGXRCSA-N 2 0 307.869 2.672 20 0 DFADRP COC1CC[NH+](C2(CN[C@H](C)[C@@H]3CCCC[NH2+]3)CCCC2)CC1 ZINC000422882402 296349762 /nfs/dbraw/zinc/34/97/62/296349762.db2.gz AQFMRQIUBBYJKQ-AEFFLSMTSA-N 2 0 323.525 2.530 20 0 DFADRP C[C@H]([NH2+]Cc1ccccc1C[N@@H+]1CCCC[C@H]1C)C1C[NH2+]C1 ZINC000422880771 296349850 /nfs/dbraw/zinc/34/98/50/296349850.db2.gz MRYWXTZJKUQYRK-CVEARBPZSA-N 3 0 301.478 2.759 20 0 DFADRP CC[C@@H](NCC1([NH+]2CCC(OC)CC2)CCCC1)[C@@H]1CCC[NH2+]1 ZINC000422889757 296351294 /nfs/dbraw/zinc/35/12/94/296351294.db2.gz QMLZEIPKTRPELZ-MSOLQXFVSA-N 2 0 323.525 2.530 20 0 DFADRP [NH3+]C[C@H]1CCC[C@H]1[NH2+]CCc1ccc(OC(F)(F)F)cc1 ZINC000422891133 296351422 /nfs/dbraw/zinc/35/14/22/296351422.db2.gz KCPWDEWQHSZKLW-TZMCWYRMSA-N 2 0 302.340 2.845 20 0 DFADRP CCOCCC1(C[NH2+][C@@H]2CCOC[C@@H]2[C@H]2CCC[NH2+]2)CCCC1 ZINC000422885513 296350669 /nfs/dbraw/zinc/35/06/69/296350669.db2.gz GWFJCBQLCVDIOY-KZNAEPCWSA-N 2 0 324.509 2.720 20 0 DFADRP C[C@H](NC1[C@H](C)C[NH+](Cc2ccccc2)C[C@H]1C)[C@H]1CCC[NH2+]1 ZINC000422887059 296350866 /nfs/dbraw/zinc/35/08/66/296350866.db2.gz JXTSWTJYQZGEDB-VXIBKDFQSA-N 2 0 315.505 2.873 20 0 DFADRP Cc1c2cc(F)ccc2oc1C[NH2+][C@@H]1CCOC[C@H]1[C@@H](C)[NH3+] ZINC000422900654 296352997 /nfs/dbraw/zinc/35/29/97/296352997.db2.gz JVDCHRJAKDMQOB-BYCMXARLSA-N 2 0 306.381 2.722 20 0 DFADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]Cc1cc(Br)cs1 ZINC000422900782 296353198 /nfs/dbraw/zinc/35/31/98/296353198.db2.gz RASOWUHTDRQHKY-SKDRFNHKSA-N 2 0 303.269 2.988 20 0 DFADRP COc1ccc(COCCC[NH2+][C@@H]2CC[NH2+]CC[C@H]2C)cc1 ZINC000422902134 296353297 /nfs/dbraw/zinc/35/32/97/296353297.db2.gz DCTHUFCLYCUIRY-CRAIPNDOSA-N 2 0 306.450 2.580 20 0 DFADRP COc1ccc(COCCC[NH2+][C@@H]2CC[NH2+]CC[C@@H]2C)cc1 ZINC000422902136 296353383 /nfs/dbraw/zinc/35/33/83/296353383.db2.gz DCTHUFCLYCUIRY-MAUKXSAKSA-N 2 0 306.450 2.580 20 0 DFADRP COc1ccc(C)cc1C1(C[NH2+][C@H]2CCC[C@H]2[NH3+])CCOCC1 ZINC000422902152 296353454 /nfs/dbraw/zinc/35/34/54/296353454.db2.gz TVBWSHZWDXKGNA-SJORKVTESA-N 2 0 318.461 2.521 20 0 DFADRP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1[NH2+]CC1(Sc2ccccc2)CC1 ZINC000422902491 296353467 /nfs/dbraw/zinc/35/34/67/296353467.db2.gz DKFFYECFEMCGMP-BPUTZDHNSA-N 2 0 306.475 2.653 20 0 DFADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]Cc1ccc(N2CCCCCC2)nc1 ZINC000422894796 296351968 /nfs/dbraw/zinc/35/19/68/296351968.db2.gz ULYSWOJDKFXUOA-AEFFLSMTSA-N 2 0 316.493 2.940 20 0 DFADRP COc1ccc(C2(C[NH2+][C@@H](C)CCCC[NH3+])CCOCC2)cc1 ZINC000422896102 296352251 /nfs/dbraw/zinc/35/22/51/296352251.db2.gz HHBJWRBRXGAKLF-INIZCTEOSA-N 2 0 320.477 2.851 20 0 DFADRP CC[C@H](NCc1cccc(OCC[NH+](C)C)c1)[C@@H]1CCCC[NH2+]1 ZINC000422905811 296354307 /nfs/dbraw/zinc/35/43/07/296354307.db2.gz ZLRAXDMVISKDNG-OALUTQOASA-N 2 0 319.493 2.637 20 0 DFADRP CC[C@@H](Nc1cccc(OCC[NH+](C)C)c1)[C@@H]1CCCC[NH2+]1 ZINC000422909601 296354564 /nfs/dbraw/zinc/35/45/64/296354564.db2.gz GLPNAFCRMBEYKY-MSOLQXFVSA-N 2 0 305.466 2.960 20 0 DFADRP COC[C@@H](CCC[NH3+])[NH2+][C@H]1COc2c1ccc(Cl)c2Cl ZINC000422917315 296355266 /nfs/dbraw/zinc/35/52/66/296355266.db2.gz CZXRVTPFOSZRNF-SKDRFNHKSA-N 2 0 319.232 2.770 20 0 DFADRP Clc1ccc(C[NH2+][C@@H]2CCOC[C@H]2[C@@H]2CCC[NH2+]2)s1 ZINC000422925251 296356139 /nfs/dbraw/zinc/35/61/39/296356139.db2.gz ASONIOOSWNQBEG-RWMBFGLXSA-N 2 0 300.855 2.648 20 0 DFADRP c1ccc(CC2CC[NH+](CCCCN[C@@H]3CC[NH2+]C3)CC2)cc1 ZINC000422911087 296354870 /nfs/dbraw/zinc/35/48/70/296354870.db2.gz SDMSYZDIJJJNDF-HXUWFJFHSA-N 2 0 315.505 2.673 20 0 DFADRP CCC[C@H]([NH2+][C@H](C)C[C@@H](C)[NH3+])C(=O)N1CCc2sccc2C1 ZINC000422913308 296355031 /nfs/dbraw/zinc/35/50/31/296355031.db2.gz YEQXRBYRKIAHMN-NFAWXSAZSA-N 2 0 323.506 2.517 20 0 DFADRP C[C@H]([NH3+])[C@@H]1COCC[C@H]1[NH2+]CCOc1ccc(C(C)(C)C)cc1 ZINC000422929770 296356784 /nfs/dbraw/zinc/35/67/84/296356784.db2.gz RMKUMOOUCFHVTB-JCGIZDLHSA-N 2 0 320.477 2.705 20 0 DFADRP C[C@@H](CCCC[NH3+])[NH2+]CCc1cc(Cl)c2c(c1)OCCO2 ZINC000422930905 296356806 /nfs/dbraw/zinc/35/68/06/296356806.db2.gz WLSGMJVMMNWHOA-LBPRGKRZSA-N 2 0 312.841 2.761 20 0 DFADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]CCc1cc(Cl)c2c(c1)OCCO2 ZINC000422930130 296356958 /nfs/dbraw/zinc/35/69/58/296356958.db2.gz SGWVJIRYORXFPE-ZFWWWQNUSA-N 2 0 324.852 2.761 20 0 DFADRP C[C@@H]1C[C@H](Nc2nccc(N3Cc4ccccc4C3)n2)CC[N@@H+]1C ZINC000623995052 399517359 /nfs/dbraw/zinc/51/73/59/399517359.db2.gz LXYQSAKYIJALKF-RHSMWYFYSA-N 2 0 323.444 2.891 20 0 DFADRP C[C@H](C[C@H](C)[NH3+])[NH2+]Cc1ccccc1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000422933995 296357110 /nfs/dbraw/zinc/35/71/10/296357110.db2.gz BWQDHULILNQWOJ-VVLHAWIVSA-N 3 0 319.493 2.511 20 0 DFADRP COc1cc(OC)cc(OCCC[NH2+][C@H]2CCCC[C@H]2C[NH3+])c1 ZINC000422931897 296357157 /nfs/dbraw/zinc/35/71/57/296357157.db2.gz YJEONKQVPMNHOV-KSSFIOAISA-N 2 0 322.449 2.580 20 0 DFADRP COc1cc(OC)cc(OCCC[NH2+][C@@H]2CCCC[C@H]2C[NH3+])c1 ZINC000422931895 296357200 /nfs/dbraw/zinc/35/72/00/296357200.db2.gz YJEONKQVPMNHOV-KBXCAEBGSA-N 2 0 322.449 2.580 20 0 DFADRP C[C@H]([NH3+])C[C@H](C)[NH2+]Cc1ccccc1C[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000422933994 296357226 /nfs/dbraw/zinc/35/72/26/296357226.db2.gz BWQDHULILNQWOJ-QAETUUGQSA-N 3 0 319.493 2.511 20 0 DFADRP C[C@@H](CCCC[NH3+])[NH2+]CCOc1cccc(Br)c1 ZINC000422936710 296357946 /nfs/dbraw/zinc/35/79/46/296357946.db2.gz FUIJLWCLTGQPSV-LBPRGKRZSA-N 2 0 315.255 2.935 20 0 DFADRP c1ccc2c(c1)O[C@@]1(CC[NH2+]C1)C[C@@H]2[NH2+]C1CCSCC1 ZINC000422941036 296358192 /nfs/dbraw/zinc/35/81/92/296358192.db2.gz HMKPZSHHTQSXRA-RDJZCZTQSA-N 2 0 304.459 2.728 20 0 DFADRP CCc1noc(-c2ccc(CC[NH2+][C@H](C)CCC[NH3+])cc2)n1 ZINC000422938686 296358351 /nfs/dbraw/zinc/35/83/51/296358351.db2.gz DXZGSLHFAURLBE-CYBMUJFWSA-N 2 0 302.422 2.559 20 0 DFADRP [NH3+]C[C@H]1CCC[C@@H]1[NH2+]CCOc1cccc(Br)c1 ZINC000422943346 296358624 /nfs/dbraw/zinc/35/86/24/296358624.db2.gz LCJPEEMREQYPJI-RISCZKNCSA-N 2 0 313.239 2.545 20 0 DFADRP COc1ccc(OCCC[N@@H+]2CCC[C@H]3C[NH2+]CC[C@@H]32)cc1 ZINC000631887304 399519950 /nfs/dbraw/zinc/51/99/50/399519950.db2.gz QDYPAQLGTYDTNW-YJBOKZPZSA-N 2 0 304.434 2.538 20 0 DFADRP C[C@H]([NH3+])[C@@H]1COCC[C@H]1[NH2+]CCc1cccc(Cl)c1Cl ZINC000422950114 296359792 /nfs/dbraw/zinc/35/97/92/296359792.db2.gz VHSOEYXOAFAEKK-VHRBIJSZSA-N 2 0 317.260 2.878 20 0 DFADRP CCc1noc(-c2ccc(CC[NH2+][C@H]3CCC[C@@H]3C[NH3+])cc2)n1 ZINC000422957638 296360897 /nfs/dbraw/zinc/36/08/97/296360897.db2.gz NUEWRUZPQCCKGL-CVEARBPZSA-N 2 0 314.433 2.559 20 0 DFADRP CC[C@](C[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1)(C(=O)OC)c1ccccc1 ZINC000602695864 399524663 /nfs/dbraw/zinc/52/46/63/399524663.db2.gz PSJDZTZAPDRRLQ-VDZJLULYSA-N 2 0 318.461 2.580 20 0 DFADRP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]CCOc1ccccc1C(F)(F)F ZINC000422958076 296361120 /nfs/dbraw/zinc/36/11/20/296361120.db2.gz OLTBFTNVIIHZJQ-AAEUAGOBSA-N 2 0 302.340 2.801 20 0 DFADRP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+]CCCC(=O)N1CCc2ccccc21 ZINC000422953346 296360249 /nfs/dbraw/zinc/36/02/49/296360249.db2.gz FIJXUXYHSZININ-SJORKVTESA-N 2 0 315.461 2.606 20 0 DFADRP C[C@H](CCCC[NH3+])[NH2+][C@H]1CC(=O)N(c2ccccc2Cl)C1 ZINC000422954470 296360317 /nfs/dbraw/zinc/36/03/17/296360317.db2.gz HPBABKJPVSELJS-OLZOCXBDSA-N 2 0 309.841 2.552 20 0 DFADRP C[C@H]([NH3+])[C@@H]1COCC[C@H]1[NH2+]CCOc1ccccc1C(C)(C)C ZINC000422960465 296361513 /nfs/dbraw/zinc/36/15/13/296361513.db2.gz WMQHOCPCIFPBLC-YQQAZPJKSA-N 2 0 320.477 2.705 20 0 DFADRP OCc1ccc(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)cc1F ZINC000422962899 296361578 /nfs/dbraw/zinc/36/15/78/296361578.db2.gz GZRFQMXGVUTVTG-BPQIPLTHSA-N 2 0 306.425 2.718 20 0 DFADRP CC[C@H](NC[C@H](c1ccco1)[NH+]1CCCC1)[C@H]1CCCC[NH2+]1 ZINC000422963598 296361718 /nfs/dbraw/zinc/36/17/18/296361718.db2.gz IZMWNRQTOJQGOM-GVDBMIGSSA-N 2 0 305.466 2.927 20 0 DFADRP [NH3+]CC1CCC([NH2+]C[C@@H](c2ccco2)N2CCCCC2)CC1 ZINC000422962875 296361757 /nfs/dbraw/zinc/36/17/57/296361757.db2.gz GXKVZOIUWISIHS-JCYILVPMSA-N 2 0 305.466 2.914 20 0 DFADRP C[C@@H](CCCC[NH3+])[NH2+]Cc1ccc(COC2CCOCC2)cc1 ZINC000422966248 296361951 /nfs/dbraw/zinc/36/19/51/296361951.db2.gz NDQLWLSNXHFFCT-INIZCTEOSA-N 2 0 320.477 2.989 20 0 DFADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]C[C@H](c1ccco1)N1CCCCC1 ZINC000422966203 296362094 /nfs/dbraw/zinc/36/20/94/296362094.db2.gz QZGXQUKNFLUJQY-BRWVUGGUSA-N 2 0 305.466 2.784 20 0 DFADRP Cc1nn(-c2ccccc2)cc1CCC[NH2+][C@H](C)C[C@@H](C)[NH3+] ZINC000422968081 296362673 /nfs/dbraw/zinc/36/26/73/296362673.db2.gz VLZRIXHXKRKNOM-HUUCEWRRSA-N 2 0 300.450 2.829 20 0 DFADRP C[C@H](CCC[NH3+])[NH2+]CCc1nc(-c2cccc(Cl)c2)no1 ZINC000422977800 296363720 /nfs/dbraw/zinc/36/37/20/296363720.db2.gz GGMHLENJFVKDBJ-LLVKDONJSA-N 2 0 308.813 2.650 20 0 DFADRP CCOc1cc(Cl)ccc1C[NH2+][C@@H]1CCOC[C@@H]1[C@H](C)[NH3+] ZINC000422997166 296365077 /nfs/dbraw/zinc/36/50/77/296365077.db2.gz ARQPCUNACIYVMI-NILFDRSVSA-N 2 0 312.841 2.581 20 0 DFADRP CC(C)C[N@@H+]1CCC[C@H](CN[C@H](Cc2ccccc2)[C@@H](C)[NH3+])C1 ZINC000422994519 296364858 /nfs/dbraw/zinc/36/48/58/296364858.db2.gz HZKNMCKXZNRHLT-MISYRCLQSA-N 2 0 317.521 2.903 20 0 DFADRP CC(C)C[N@@H+]1CCC[C@H](CN[C@H](Cc2ccccc2)[C@H](C)[NH3+])C1 ZINC000422994518 296365006 /nfs/dbraw/zinc/36/50/06/296365006.db2.gz HZKNMCKXZNRHLT-DFQSSKMNSA-N 2 0 317.521 2.903 20 0 DFADRP C[C@H]([NH2+][C@@H](C)C1C[NH2+]C1)[C@@H](OC1CCOCC1)c1ccccc1 ZINC000423002912 296365912 /nfs/dbraw/zinc/36/59/12/296365912.db2.gz ZVHAXDYAMPIDAM-YZVOILCLSA-N 2 0 318.461 2.509 20 0 DFADRP C[C@@H]([NH2+][C@@H](C)C1C[NH2+]C1)[C@H](OC1CCOCC1)c1ccccc1 ZINC000423002910 296365942 /nfs/dbraw/zinc/36/59/42/296365942.db2.gz ZVHAXDYAMPIDAM-KHYOSLBOSA-N 2 0 318.461 2.509 20 0 DFADRP COCCCOc1cccc(C[NH2+][C@H]2CCCC[C@@H]2C[NH3+])c1 ZINC000423001030 296366014 /nfs/dbraw/zinc/36/60/14/296366014.db2.gz HJZDRPMDUTVRJR-AEFFLSMTSA-N 2 0 306.450 2.709 20 0 DFADRP CC(C)C[N@@H+]1CCC[C@@H]1CN[C@H](Cc1ccccc1)[C@H](C)[NH3+] ZINC000423005333 296366140 /nfs/dbraw/zinc/36/61/40/296366140.db2.gz RMPFAMLAMJEQSC-QXAKKESOSA-N 2 0 303.494 2.655 20 0 DFADRP CCC(CC)(CO)C[NH2+][C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423003218 296366161 /nfs/dbraw/zinc/36/61/61/296366161.db2.gz LBVFVSSZHHADPF-APWZRJJASA-N 2 0 318.461 2.631 20 0 DFADRP FC(F)(F)COCc1cccc(C[NH2+]C2CC[NH2+]CC2)c1 ZINC000423004660 296366240 /nfs/dbraw/zinc/36/62/40/296366240.db2.gz PNWXBXZBLJNBRC-UHFFFAOYSA-N 2 0 302.340 2.607 20 0 DFADRP CCOc1cc(Cl)ccc1C[NH2+][C@@H]1CCOC[C@H]1[C@@H](C)[NH3+] ZINC000422997164 296365374 /nfs/dbraw/zinc/36/53/74/296365374.db2.gz ARQPCUNACIYVMI-BYCMXARLSA-N 2 0 312.841 2.581 20 0 DFADRP C(CC1CC[NH+](CC[C@@H]2CCCCO2)CC1)C[NH+]1CCOCC1 ZINC000347606264 285089279 /nfs/dbraw/zinc/08/92/79/285089279.db2.gz HAESDLXTGJLSCJ-IBGZPJMESA-N 2 0 324.509 2.770 20 0 DFADRP Cc1ccc([C@H](Cn2ccnc2)[NH2+][C@H](C)[C@H]2CC[NH2+]C2)c(C)c1 ZINC000423006478 296366732 /nfs/dbraw/zinc/36/67/32/296366732.db2.gz VKLXEPVSUJNADM-AOIWGVFYSA-N 2 0 312.461 2.829 20 0 DFADRP OC[C@H]([NH2+][C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)c1ccccc1 ZINC000423010613 296367312 /nfs/dbraw/zinc/36/73/12/296367312.db2.gz YATUESMTNUXLBW-WSTZPKSXSA-N 2 0 324.424 2.566 20 0 DFADRP Cc1cncc(C[NH2+][C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)c1 ZINC000423010236 296366989 /nfs/dbraw/zinc/36/69/89/296366989.db2.gz FYJQTHDJVXPQNA-PKOBYXMFSA-N 2 0 309.413 2.736 20 0 DFADRP CCO[C@H](C[N@@H+]1CC[C@@H](CN(C)Cc2cccnc2)C1)C1CC1 ZINC000625378478 399538475 /nfs/dbraw/zinc/53/84/75/399538475.db2.gz ICEHWEJMMSUGCF-PKOBYXMFSA-N 2 0 317.477 2.650 20 0 DFADRP C[C@H]([NH2+][C@@H]1CCN(C)[C@H]1c1ccc(Cl)cc1)[C@H]1CC[NH2+]C1 ZINC000423014858 296367686 /nfs/dbraw/zinc/36/76/86/296367686.db2.gz PWMFIPRCHXUMLG-SDNTUTLCSA-N 2 0 307.869 2.673 20 0 DFADRP Cc1nn(C)c(C)c1CCC[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1 ZINC000423015184 296367753 /nfs/dbraw/zinc/36/77/53/296367753.db2.gz KEQNMYYOUILKHT-CEXWTWQISA-N 2 0 318.509 2.870 20 0 DFADRP OC[C@H]([NH2+][C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)c1ccccc1 ZINC000423010612 296367336 /nfs/dbraw/zinc/36/73/36/296367336.db2.gz YATUESMTNUXLBW-HBFSDRIKSA-N 2 0 324.424 2.566 20 0 DFADRP C[C@@H]([NH2+]Cc1ccccc1C[N@H+](C)Cc1ccco1)C1C[NH2+]C1 ZINC000423011104 296367377 /nfs/dbraw/zinc/36/73/77/296367377.db2.gz YZXIKVQUQPDJOY-OAHLLOKOSA-N 3 0 313.445 2.609 20 0 DFADRP CO[C@@H]1CCC[C@@H]1C[NH2+][C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423013111 296367432 /nfs/dbraw/zinc/36/74/32/296367432.db2.gz FEABDJAVCHTBMF-KLICCBINSA-N 2 0 316.445 2.647 20 0 DFADRP COc1ccccc1OC[C@H](C)C[NH2+][C@H](C)[C@H]1CCCC[NH2+]1 ZINC000423024331 296369112 /nfs/dbraw/zinc/36/91/12/296369112.db2.gz LMTGGNNTEBAURV-BZUAXINKSA-N 2 0 306.450 2.830 20 0 DFADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]CCSCC(F)(F)F ZINC000423018980 296368425 /nfs/dbraw/zinc/36/84/25/296368425.db2.gz SSIQCXPCUNBPCN-SECBINFHSA-N 2 0 307.385 2.795 20 0 DFADRP C[C@H](CCCC[NH3+])[NH2+][C@@H](c1ccn(C)n1)c1ccc(F)cc1 ZINC000423020319 296368522 /nfs/dbraw/zinc/36/85/22/296368522.db2.gz ZXYAMVAQEBCONG-CXAGYDPISA-N 2 0 304.413 2.756 20 0 DFADRP COc1cccc(C[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)C2CC2)c1 ZINC000423018204 296368616 /nfs/dbraw/zinc/36/86/16/296368616.db2.gz YJVWLBSOLWRHPF-RZRMAFQFSA-N 2 0 300.446 2.889 20 0 DFADRP CC(C)[NH+]1CCN(c2cccc(N[C@@H]3CCC[C@@H]3C[NH3+])c2)CC1 ZINC000423021587 296368884 /nfs/dbraw/zinc/36/88/84/296368884.db2.gz CKEFAQWUELGMOM-VQIMIIECSA-N 2 0 316.493 2.756 20 0 DFADRP COC[C@H](CCC[NH3+])[NH2+][C@H](c1cccc(C)c1)c1ccccn1 ZINC000423033243 296370173 /nfs/dbraw/zinc/37/01/73/296370173.db2.gz ZHSQBGBLVDNCCW-PKOBYXMFSA-N 2 0 313.445 2.823 20 0 DFADRP CCC(CC)(C[NH2+][C@H](Cc1ccccc1)[C@@H](C)[NH3+])C(=O)OC ZINC000423036033 296370200 /nfs/dbraw/zinc/37/02/00/296370200.db2.gz KOKTUYYGWWRUGT-GDBMZVCRSA-N 2 0 306.450 2.514 20 0 DFADRP COCC[C@H](Cc1ccco1)[NH2+][C@@H](C)c1ccc(C[NH3+])nc1C ZINC000423034908 296370346 /nfs/dbraw/zinc/37/03/46/296370346.db2.gz QQVVPTGDKNSVJI-DZGCQCFKSA-N 2 0 317.433 2.740 20 0 DFADRP COC[C@H](CCC[NH3+])[NH2+][C@@H](C)[C@H](OC)c1ccccc1Cl ZINC000423029407 296369645 /nfs/dbraw/zinc/36/96/45/296369645.db2.gz AASYRAMTWUMPMG-XEZPLFJOSA-N 2 0 314.857 2.760 20 0 DFADRP CC(C)[NH+]1CCN(c2cccc(N[C@@H](C)[C@H]3CCC[NH2+]3)c2)CC1 ZINC000423029173 296369665 /nfs/dbraw/zinc/36/96/65/296369665.db2.gz RUSZUPAWYRBYJR-QFBILLFUSA-N 2 0 316.493 2.769 20 0 DFADRP Cc1nc(C[NH3+])ccc1[C@H](C)NCC[C@H](C)[NH+]1CCCCC1 ZINC000423030872 296369930 /nfs/dbraw/zinc/36/99/30/296369930.db2.gz KBDRUYCQQUKJHD-GJZGRUSLSA-N 2 0 304.482 2.764 20 0 DFADRP c1ccc2c(c1)CC([NH2+][C@H]1C[C@@]3(CC[NH2+]C3)Oc3ccccc31)C2 ZINC000423040203 296371118 /nfs/dbraw/zinc/37/11/18/296371118.db2.gz SMOBREWWYLDGLI-PZJWPPBQSA-N 2 0 320.436 2.999 20 0 DFADRP C[C@@H](CCC[NH3+])[NH2+][C@@H](c1ccn(C)n1)c1ccc(Cl)cc1 ZINC000423037309 296370483 /nfs/dbraw/zinc/37/04/83/296370483.db2.gz MPTDQKWZUKBDHX-BLLLJJGKSA-N 2 0 306.841 2.880 20 0 DFADRP C[C@H]([NH2+][C@@H]1CCN(c2ccc(F)c(Cl)c2)C1)[C@H]1CC[NH2+]C1 ZINC000423038627 296370534 /nfs/dbraw/zinc/37/05/34/296370534.db2.gz DDZPNOPBFVTUOJ-RWMBFGLXSA-N 2 0 311.832 2.645 20 0 DFADRP CCC[N@H+](C)CC(C)(C)NC(=O)[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC000620622988 399546190 /nfs/dbraw/zinc/54/61/90/399546190.db2.gz CQGAQFLGTBMIOQ-MRXNPFEDSA-N 2 0 323.525 2.878 20 0 DFADRP Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)[NH2+]C1CCC([NH3+])CC1 ZINC000423040822 296370921 /nfs/dbraw/zinc/37/09/21/296370921.db2.gz IASWUYVBYNSCLJ-ALXWSUNGSA-N 2 0 318.387 2.983 20 0 DFADRP COC[C@H](CC1CCOCC1)[NH2+]C[C@H]1CCN1C1CCCCC1 ZINC000624077928 399545329 /nfs/dbraw/zinc/54/53/29/399545329.db2.gz HWPYHBMLCXOXCU-PKOBYXMFSA-N 2 0 324.509 2.815 20 0 DFADRP C[C@@H]([NH2+]CC1(CCOCc2ccccc2)CC1)[C@@H]1CC[NH2+]C1 ZINC000423044743 296371359 /nfs/dbraw/zinc/37/13/59/296371359.db2.gz AVCVPJGOPLLZFT-SJLPKXTDSA-N 2 0 302.462 2.961 20 0 DFADRP C[NH+]1CCC(C)(C[NH2+][C@@H]2CCN[C@@H](c3ccccc3)C2)CC1 ZINC000423047035 296371527 /nfs/dbraw/zinc/37/15/27/296371527.db2.gz UMYIVEZOOYHCEO-QZTJIDSGSA-N 2 0 301.478 2.801 20 0 DFADRP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+]CCCOCCOCc1ccccc1 ZINC000423046733 296371706 /nfs/dbraw/zinc/37/17/06/296371706.db2.gz ULYCZJGHUTYSDR-MOPGFXCFSA-N 2 0 320.477 2.860 20 0 DFADRP C[C@H]1CC[NH2+]CC[C@H]1[NH2+]CCc1cn(C)c2cc(F)ccc12 ZINC000423048174 296371788 /nfs/dbraw/zinc/37/17/88/296371788.db2.gz HSTAIUBEOFGQJE-SUMWQHHRSA-N 2 0 303.425 2.838 20 0 DFADRP Cc1oc2ccccc2c1CC[NH2+][C@@H]1CCOC[C@@H]1[C@@H](C)[NH3+] ZINC000423050064 296372008 /nfs/dbraw/zinc/37/20/08/296372008.db2.gz LFCVISXZNPRDMM-CSMYWGQOSA-N 2 0 302.418 2.626 20 0 DFADRP COC[C@H](CCC[NH3+])[NH2+][C@H]1C[C@H](OCc2ccccc2)C1(C)C ZINC000423055077 296372804 /nfs/dbraw/zinc/37/28/04/296372804.db2.gz VRJNASKECNQJDX-BZSNNMDCSA-N 2 0 320.477 2.714 20 0 DFADRP CC[C@H]([NH2+]C[C@]1(O)CCC[C@@H](C(F)(F)F)C1)[C@H]1CCCC[NH2+]1 ZINC000423058463 296373038 /nfs/dbraw/zinc/37/30/38/296373038.db2.gz JNFBZDNYDSFUCF-BARDWOONSA-N 2 0 322.415 2.980 20 0 DFADRP C[C@@H]1CC[NH2+]C[C@H]1NC[C@]1(C)CCC[N@@H+]1Cc1ccccc1 ZINC000423064873 296374271 /nfs/dbraw/zinc/37/42/71/296374271.db2.gz SHMVDDHGECCJTF-QRQLOZEOSA-N 2 0 301.478 2.629 20 0 DFADRP O[C@@H]1CCC[C@]1(C[NH2+][C@@H]1CCC[NH2+]CC1)Cc1ccc(F)cc1 ZINC000423072435 296375013 /nfs/dbraw/zinc/37/50/13/296375013.db2.gz HJEDLIOXXZWVDP-GUDVDZBRSA-N 2 0 320.452 2.631 20 0 DFADRP [NH3+]C1CCC([NH2+]C[C@@]2(Cc3ccc(F)cc3)CCC[C@H]2O)CC1 ZINC000423071948 296374836 /nfs/dbraw/zinc/37/48/36/296374836.db2.gz GNRVFIZYRJOGLD-GMNCBBECSA-N 2 0 320.452 2.759 20 0 DFADRP C[C@](CO)(C[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1)Cc1ccccc1 ZINC000423077235 296375705 /nfs/dbraw/zinc/37/57/05/296375705.db2.gz LSKOCAQKPBQZQF-VNTMZGSJSA-N 2 0 316.489 2.738 20 0 DFADRP CCOC(=O)C1CCC([NH2+]C2CC[NH+](CC3CC3)CC2)CC1 ZINC000602752786 399555966 /nfs/dbraw/zinc/55/59/66/399555966.db2.gz UZPVOJOESFBAIV-UHFFFAOYSA-N 2 0 308.466 2.572 20 0 DFADRP CC[C@@H]([NH2+]CC1(CO)CC(c2ccccc2)C1)[C@@H]1CCC[NH2+]1 ZINC000423086179 296376890 /nfs/dbraw/zinc/37/68/90/296376890.db2.gz LMACBFYWTSJRDC-IAFLDTSXSA-N 2 0 302.462 2.663 20 0 DFADRP C([NH2+][C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1)C1CC[NH+](C2CC2)CC1 ZINC000423089712 296377221 /nfs/dbraw/zinc/37/72/21/296377221.db2.gz SXLFKMPOCKZMSU-IPMKNSEASA-N 3 0 305.510 2.761 20 0 DFADRP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1[NH2+][C@H]1C[C@H](c2ccc(Cl)cc2)C1 ZINC000423095652 296377921 /nfs/dbraw/zinc/37/79/21/296377921.db2.gz MUVAVHKRGFQHIY-VCQFHVMDSA-N 2 0 308.853 2.928 20 0 DFADRP Fc1cccc([C@H]2C[C@H]([NH2+][C@@H]3CCOC[C@@H]3[C@@H]3CCC[NH2+]3)C2)c1 ZINC000423096471 296377987 /nfs/dbraw/zinc/37/79/87/296377987.db2.gz OXVNAFMOVOJBNV-RXABAKJHSA-N 2 0 318.436 2.818 20 0 DFADRP CSC1(C[NH2+][C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)CC1 ZINC000423088900 296377284 /nfs/dbraw/zinc/37/72/84/296377284.db2.gz RFIFBKYUUZGZIG-GDBMZVCRSA-N 2 0 304.459 2.728 20 0 DFADRP Fc1ccccc1[C@H]1C[C@H]([NH2+][C@@H]2CCOC[C@@H]2[C@H]2CCC[NH2+]2)C1 ZINC000423100679 296378319 /nfs/dbraw/zinc/37/83/19/296378319.db2.gz VLHYYPNNUQOAHP-HSANBRHQSA-N 2 0 318.436 2.818 20 0 DFADRP c1csc(N2CCC([NH2+][C@@H]3CCC[C@@H]3[C@H]3CCC[NH2+]3)CC2)n1 ZINC000423108111 296379241 /nfs/dbraw/zinc/37/92/41/296379241.db2.gz SSYLZFCIMWLYMF-BZUAXINKSA-N 2 0 320.506 2.622 20 0 DFADRP C[C@@H]([NH2+][C@H]1CCC[C@H]1Oc1cc(F)cc(F)c1)[C@H]1CC[NH2+]C1 ZINC000423109416 296379419 /nfs/dbraw/zinc/37/94/19/296379419.db2.gz NRXHGCWAWFNFEM-FCLUMBPUSA-N 2 0 310.388 2.852 20 0 DFADRP C[N@@H+]1CCCC[C@H](CN[C@@H](c2ncc[nH]2)c2ccc(F)cc2)C1 ZINC000624122948 399560813 /nfs/dbraw/zinc/56/08/13/399560813.db2.gz BNFPGPPSJSNZQU-RHSMWYFYSA-N 2 0 316.424 2.960 20 0 DFADRP C[C@H]([NH2+]C(C)(C)CNC(=O)[C@@]1(C)CCC[NH2+]C1)c1ccccc1 ZINC000120247298 195126710 /nfs/dbraw/zinc/12/67/10/195126710.db2.gz AASAJTOLXNMLJU-KXBFYZLASA-N 2 0 317.477 2.622 20 0 DFADRP C[C@H]([NH3+])[C@H]1COCC[C@@H]1[NH2+]CCCc1c[nH]c2ccc(F)cc12 ZINC000423111359 296379773 /nfs/dbraw/zinc/37/97/73/296379773.db2.gz IXHZHEFQMJAKLG-XZOAIXRZSA-N 2 0 319.424 2.582 20 0 DFADRP FC1(F)CCC[C@H](C[NH2+][C@@H]2CCOC[C@@H]2[C@@H]2CCC[NH2+]2)C1 ZINC000423116404 296380325 /nfs/dbraw/zinc/38/03/25/296380325.db2.gz PSCMNFKTZXPKJU-LJISPDSOSA-N 2 0 302.409 2.559 20 0 DFADRP COCC1(C[NH2+][C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)CCC1 ZINC000423116450 296380407 /nfs/dbraw/zinc/38/04/07/296380407.db2.gz PWLCBZURJIKYMC-LPHOPBHVSA-N 2 0 316.445 2.649 20 0 DFADRP FC1(F)CCC[C@H](C[NH2+][C@@H]2CCOC[C@H]2[C@@H]2CCC[NH2+]2)C1 ZINC000423116405 296380450 /nfs/dbraw/zinc/38/04/50/296380450.db2.gz PSCMNFKTZXPKJU-ZQDZILKHSA-N 2 0 302.409 2.559 20 0 DFADRP CC(=O)N1CC[C@H]([NH2+]C[C@@H]2CCCC[N@@H+](C)C2)c2ccccc21 ZINC000624124097 399562545 /nfs/dbraw/zinc/56/25/45/399562545.db2.gz XEFPGQBHCFXCRZ-WMZOPIPTSA-N 2 0 315.461 2.806 20 0 DFADRP COCc1nc(CN[C@H]2CC[NH2+][C@H](c3ccccc3)C2)cs1 ZINC000423120431 296380671 /nfs/dbraw/zinc/38/06/71/296380671.db2.gz GMWOXHRCWIWNIJ-HOCLYGCPSA-N 2 0 317.458 2.872 20 0 DFADRP CC(C)Oc1ccc([C@H](CN[C@H](C)[C@H]2CCC[NH2+]2)[NH+](C)C)cc1 ZINC000423124916 296381397 /nfs/dbraw/zinc/38/13/97/296381397.db2.gz MYWDVLKQUQLJKJ-LZQZEXGQSA-N 2 0 319.493 2.807 20 0 DFADRP C[C@@H]([NH2+]CCc1c[nH]c2cccc(Br)c12)C1C[NH2+]C1 ZINC000423121343 296380913 /nfs/dbraw/zinc/38/09/13/296380913.db2.gz IJUULPMGIXATAM-SNVBAGLBSA-N 2 0 322.250 2.670 20 0 DFADRP C[C@H]([NH3+])[C@H]1COCC[C@@H]1[NH2+]C[C@H]1CCCC[C@H]1C(F)(F)F ZINC000423123702 296381073 /nfs/dbraw/zinc/38/10/73/296381073.db2.gz LQROWGMJTVSDAJ-MRTXSQPYSA-N 2 0 308.388 2.697 20 0 DFADRP C[C@H]([NH3+])[C@H]1COCC[C@@H]1[NH2+]CCc1cc2ccccc2s1 ZINC000423129881 296382131 /nfs/dbraw/zinc/38/21/31/296382131.db2.gz FXZULMGIYZNRSH-MAZHCROVSA-N 2 0 304.459 2.786 20 0 DFADRP C[C@H](CCC[NH3+])[NH2+][C@H]1CCCN([C@@H](C)c2ccccc2F)C1=O ZINC000423131256 296382209 /nfs/dbraw/zinc/38/22/09/296382209.db2.gz HTCNEKQBCVDSPP-KEYYUXOJSA-N 2 0 321.440 2.595 20 0 DFADRP C[C@H]([NH3+])C[C@H](C)[NH2+][C@@H]1CCCN([C@@H](C)c2ccccc2F)C1=O ZINC000423130981 296382333 /nfs/dbraw/zinc/38/23/33/296382333.db2.gz HIUYSUVJTUNVFH-AYMQEEERSA-N 2 0 321.440 2.593 20 0 DFADRP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]C[C@]1(CO)C[C@@H]1c1ccccc1 ZINC000423129512 296381825 /nfs/dbraw/zinc/38/18/25/296381825.db2.gz XEHSUENVCIMHKT-CZGNIMDHSA-N 2 0 324.468 2.701 20 0 DFADRP C([NH2+][C@@H]1CCOC[C@H]1[C@@H]1CCC[NH2+]1)[C@@H]1C[C@H]1C1CCCCC1 ZINC000423129198 296381972 /nfs/dbraw/zinc/38/19/72/296381972.db2.gz FADBUTOTHYIQCL-VPAKFMSCSA-N 2 0 306.494 2.950 20 0 DFADRP CCc1ccc([C@@H](CN[C@H](C)C2C[NH2+]C2)[NH+](CC)CC)cc1 ZINC000423127193 296381990 /nfs/dbraw/zinc/38/19/90/296381990.db2.gz JQPAONCUHCSHNY-DNVCBOLYSA-N 2 0 303.494 2.829 20 0 DFADRP C[C@H]1CC[NH2+]CC[C@@H]1[NH2+]CCc1cc(C(F)(F)F)ccn1 ZINC000423140527 296383982 /nfs/dbraw/zinc/38/39/82/296383982.db2.gz YVSJEXDRRSEFJC-FZMZJTMJSA-N 2 0 301.356 2.621 20 0 DFADRP C[C@@H]([NH2+]C[C@H]1CCN(c2ccccc2F)C1)[C@H]1CCCC[NH2+]1 ZINC000423141528 296383984 /nfs/dbraw/zinc/38/39/84/296383984.db2.gz QNDWSPFOMCIQQP-BFYDXBDKSA-N 2 0 305.441 2.772 20 0 DFADRP Cc1cc(CC[NH2+][C@@H]2CCOC[C@@H]2[C@H]2CCC[NH2+]2)ccc1Cl ZINC000423141101 296384004 /nfs/dbraw/zinc/38/40/04/296384004.db2.gz NXYSYCIRQYILRT-KBAYOESNSA-N 2 0 322.880 2.938 20 0 DFADRP C[C@@H]([NH2+][C@H]1C[C@H](c2ccc(Br)cc2)C1)C1C[NH2+]C1 ZINC000423139787 296383492 /nfs/dbraw/zinc/38/34/92/296383492.db2.gz LGVFUSOQZPQAKV-IXPVHAAZSA-N 2 0 309.251 2.893 20 0 DFADRP CSc1ccc([C@H](CN[C@@H]2C[NH2+]CC[C@@H]2C)[NH+](C)C)cc1 ZINC000423143383 296384255 /nfs/dbraw/zinc/38/42/55/296384255.db2.gz CVNPGPWBTBXSIS-XKQJLSEDSA-N 2 0 307.507 2.599 20 0 DFADRP C[C@@H]([NH2+][C@@H](C)c1ccc(-n2cccn2)c(F)c1)[C@H]1CC[NH2+]C1 ZINC000423140518 296383675 /nfs/dbraw/zinc/38/36/75/296383675.db2.gz YVLQQTOLNQRHKS-GUTXKFCHSA-N 2 0 302.397 2.660 20 0 DFADRP Cc1cc(CC[NH2+][C@@H]2CCOC[C@@H]2[C@@H]2CCC[NH2+]2)ccc1Cl ZINC000423141099 296383716 /nfs/dbraw/zinc/38/37/16/296383716.db2.gz NXYSYCIRQYILRT-BPQIPLTHSA-N 2 0 322.880 2.938 20 0 DFADRP CSc1ccc([C@H](C[NH2+][C@@H]2CCC[C@H]2C[NH3+])N(C)C)cc1 ZINC000423144013 296384430 /nfs/dbraw/zinc/38/44/30/296384430.db2.gz FXCGRYHEYWIXPB-UAGQMJEPSA-N 2 0 307.507 2.728 20 0 DFADRP CSc1ccc([C@@H](CN[C@@H](C)[C@@H]2CCC[NH2+]2)[NH+](C)C)cc1 ZINC000423146753 296384755 /nfs/dbraw/zinc/38/47/55/296384755.db2.gz QHJQEUMJFNTATF-RRQGHBQHSA-N 2 0 307.507 2.741 20 0 DFADRP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1[NH2+][C@H]1CCCc2c(F)cc(F)cc21 ZINC000423146674 296384761 /nfs/dbraw/zinc/38/47/61/296384761.db2.gz PYBPKVBHTHJHRV-GPISYNIWSA-N 2 0 310.388 2.684 20 0 DFADRP c1ccc([C@@H]2C[C@@H]([N@@H+]3CCC[C@]4(CCOC4)C3)CCN2)cc1 ZINC000423154828 296385733 /nfs/dbraw/zinc/38/57/33/296385733.db2.gz KBGAGFSDRBKLTE-FHWLQOOXSA-N 2 0 300.446 2.982 20 0 DFADRP Cc1ccncc1C[NH2+][C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423154342 296385870 /nfs/dbraw/zinc/38/58/70/296385870.db2.gz OSANKCBPTNGYLE-HKUYNNGSSA-N 2 0 309.413 2.736 20 0 DFADRP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCOC[C@H]2[C@@H]2CCC[NH2+]2)c2ccccc2O1 ZINC000423166379 296387323 /nfs/dbraw/zinc/38/73/23/296387323.db2.gz ZCWRRSHUHAEJRI-PLLDYVMSSA-N 2 0 316.445 2.645 20 0 DFADRP Cc1cccnc1CC[NH2+][C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423159307 296386482 /nfs/dbraw/zinc/38/64/82/296386482.db2.gz XUJAOGZNRFPHSO-QUCCMNQESA-N 2 0 323.440 2.778 20 0 DFADRP C[C@@H]1CC[NH2+]C[C@@H]1NCC1([N@H+](C)Cc2ccccc2)CCC1 ZINC000423159216 296386496 /nfs/dbraw/zinc/38/64/96/296386496.db2.gz XPHNFAPQXWUYEB-AEFFLSMTSA-N 2 0 301.478 2.629 20 0 DFADRP CCOC(=O)C1([C@H](C)[NH2+]CC(C)(C)C2CCC2)CC[NH2+]CC1 ZINC000423160584 296386520 /nfs/dbraw/zinc/38/65/20/296386520.db2.gz ZTQYZSDTZUFQPJ-AWEZNQCLSA-N 2 0 310.482 2.724 20 0 DFADRP C[C@H]([NH2+]CCOc1ccc(Cl)c(Cl)c1)[C@H]1CC[NH2+]C1 ZINC000423159684 296386552 /nfs/dbraw/zinc/38/65/52/296386552.db2.gz PSDDCLIYMKIDJR-QWRGUYRKSA-N 2 0 303.233 2.960 20 0 DFADRP COc1ccc([C@H](CO)C[NH2+][C@@H](C)C[C@H]2CCCCC[NH2+]2)cc1 ZINC000423171507 296387818 /nfs/dbraw/zinc/38/78/18/296387818.db2.gz ORZWKLAPPVXACC-RYQLBKOJSA-N 2 0 320.477 2.672 20 0 DFADRP CCSc1ccccc1[C@@H](C)[NH2+]CCCN1CC[NH2+]CC1 ZINC000423175619 296388129 /nfs/dbraw/zinc/38/81/29/296388129.db2.gz FAMZUTIBKVJTLM-OAHLLOKOSA-N 2 0 307.507 2.745 20 0 DFADRP Brc1cccc2c1C[C@H]([NH2+]C1CC[NH2+]CC1)CC2 ZINC000423177395 296388488 /nfs/dbraw/zinc/38/84/88/296388488.db2.gz DUEXIWRWYAGWGM-CYBMUJFWSA-N 2 0 309.251 2.648 20 0 DFADRP c1ccc([C@H]2CCCC[C@@H]2[NH2+]CCCN2CC[NH2+]CC2)cc1 ZINC000423187517 296390009 /nfs/dbraw/zinc/39/00/09/296390009.db2.gz YBIDHTBKIVRQPO-MOPGFXCFSA-N 2 0 301.478 2.598 20 0 DFADRP CC(C)[C@H]([NH2+]CCCN1CC[NH2+]CC1)c1ccccc1Cl ZINC000423188741 296390010 /nfs/dbraw/zinc/39/00/10/296390010.db2.gz QGEQYQYNBCAFDH-KRWDZBQOSA-N 2 0 309.885 2.922 20 0 DFADRP C[C@@H]([NH2+]CCCN1CC[NH2+]CC1)[C@@H](C)c1ccc(Cl)cc1 ZINC000423181918 296389367 /nfs/dbraw/zinc/38/93/67/296389367.db2.gz JXNMGMLBGCWDNX-HUUCEWRRSA-N 2 0 309.885 2.717 20 0 DFADRP CC(C)[C@H]([NH2+]CCCN1CC[NH2+]CC1)c1ccc(Cl)cc1 ZINC000423185899 296389614 /nfs/dbraw/zinc/38/96/14/296389614.db2.gz NUWLSADHHLYTJC-KRWDZBQOSA-N 2 0 309.885 2.922 20 0 DFADRP C[C@@H]([NH2+]CCCN1CC[NH2+]CC1)c1cccc(-c2ccncc2)c1 ZINC000423185019 296389652 /nfs/dbraw/zinc/38/96/52/296389652.db2.gz UMOPWNLYJORBOD-QGZVFWFLSA-N 2 0 324.472 2.695 20 0 DFADRP Clc1ccccc1C[C@H]([NH2+]C1CC[NH2+]CC1)[C@H]1CCCO1 ZINC000423185880 296389827 /nfs/dbraw/zinc/38/98/27/296389827.db2.gz NUMXOFXWTKJXOO-DLBZAZTESA-N 2 0 308.853 2.772 20 0 DFADRP CC[C@H](C[NH2+][C@@H]1CCOC[C@@H]1[C@@H]1CCC[NH2+]1)CC(F)(F)F ZINC000423187481 296390255 /nfs/dbraw/zinc/39/02/55/296390255.db2.gz PQZSXZJPHKICDK-RFQIPJPRSA-N 2 0 308.388 2.712 20 0 DFADRP c1ccc(C[N@@H+]2CC[C@H](NC3CC[NH2+]CC3)[C@@H]3CCC[C@H]32)cc1 ZINC000423194768 296390694 /nfs/dbraw/zinc/39/06/94/296390694.db2.gz YSKOEUXOWTVWRQ-SLFFLAALSA-N 3 0 313.489 2.771 20 0 DFADRP C[C@H]([NH2+]CCN1CC[NH2+]CC1)c1cc2cc(Cl)ccc2o1 ZINC000423199210 296391673 /nfs/dbraw/zinc/39/16/73/296391673.db2.gz AUKJDYADMNTZKI-LBPRGKRZSA-N 2 0 307.825 2.642 20 0 DFADRP C[NH2+]CCC[NH2+][C@H](C)c1ccc(I)cc1 ZINC000423198254 296391701 /nfs/dbraw/zinc/39/17/01/296391701.db2.gz DWONRLHUJGQYIB-SNVBAGLBSA-N 2 0 318.202 2.551 20 0 DFADRP c1ccc(C[N@@H+]2C[C@@H]3CCCC[C@H](N[C@H]4CC[NH2+]C4)[C@@H]3C2)cc1 ZINC000423205026 296392316 /nfs/dbraw/zinc/39/23/16/296392316.db2.gz BKGTZWDYTIIKSO-HAGHYFMRSA-N 2 0 313.489 2.629 20 0 DFADRP CC(C)c1ccc2c(c1)[C@H]([NH2+]CCN1CC[NH2+]CC1)CCCO2 ZINC000423206318 296392322 /nfs/dbraw/zinc/39/23/22/296392322.db2.gz QJUKXMCAURPADA-GOSISDBHSA-N 2 0 317.477 2.519 20 0 DFADRP CC(C)(C)C[C@@H]([NH2+]CCN1CC[NH2+]CC1)c1ccc(F)cc1 ZINC000423200675 296391967 /nfs/dbraw/zinc/39/19/67/296391967.db2.gz GGMKFGQFUNQJFI-QGZVFWFLSA-N 2 0 307.457 2.798 20 0 DFADRP C[C@@H](C(=O)Nc1ccccc1)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000157258051 197174240 /nfs/dbraw/zinc/17/42/40/197174240.db2.gz MVSOLIIJGMONMF-WMZOPIPTSA-N 2 0 315.461 2.964 20 0 DFADRP C[C@@H]([NH2+][C@@H](C)c1cccc(N2CCOCC2)c1)[C@H]1CCC[NH2+]C1 ZINC000423219913 296393762 /nfs/dbraw/zinc/39/37/62/296393762.db2.gz UWFJCTDQMBPIOD-JZXOWHBKSA-N 2 0 317.477 2.562 20 0 DFADRP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+]C2CCC([NH3+])CC2)CC1 ZINC000423240193 296395931 /nfs/dbraw/zinc/39/59/31/296395931.db2.gz XAUOEHFFOWTUCM-IPJUCJBFSA-N 3 0 315.505 2.942 20 0 DFADRP Cc1c([C@H](C)[NH2+]CC[C@H]2CC[NH2+]C2)cnn1-c1ccc(F)cc1 ZINC000423240323 296395981 /nfs/dbraw/zinc/39/59/81/296395981.db2.gz CFHZHIKODMBZOP-DZGCQCFKSA-N 2 0 316.424 2.970 20 0 DFADRP C[C@H]([NH2+]C1CCC([NH3+])CC1)c1ncc(Br)cc1F ZINC000423232464 296395215 /nfs/dbraw/zinc/39/52/15/296395215.db2.gz MRPOVNWNDZQTRY-PUSIOWJLSA-N 2 0 316.218 2.904 20 0 DFADRP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1NC[C@H]([NH3+])c1ccccc1 ZINC000423236013 296395505 /nfs/dbraw/zinc/39/55/05/296395505.db2.gz HBXXSYCYJBIQFX-LSTHTHJFSA-N 2 0 324.472 2.582 20 0 DFADRP CCC(C)(C)[NH2+][C@H](C)C(=O)NC[C@H]1CC[N@@H+]1Cc1ccccc1 ZINC000620770542 399587658 /nfs/dbraw/zinc/58/76/58/399587658.db2.gz AWTCKWNVNDBQQF-NVXWUHKLSA-N 2 0 317.477 2.544 20 0 DFADRP COC[C@@H]([NH2+]CC[C@H]1CC[NH2+]C1)c1cccc(C(F)(F)F)c1 ZINC000423242666 296396334 /nfs/dbraw/zinc/39/63/34/296396334.db2.gz FNECHHLXOQAFFP-IUODEOHRSA-N 2 0 316.367 2.982 20 0 DFADRP CCOC(=O)[C@@H]1CC[C@@H]([NH2+]CC[C@H]2CC[NH2+]C2)c2ccccc21 ZINC000423251398 296397175 /nfs/dbraw/zinc/39/71/75/296397175.db2.gz SAOJGTQRNULJJO-ZTFGCOKTSA-N 2 0 316.445 2.757 20 0 DFADRP COc1cc([C@H](C)[NH2+]CC[C@H]2CC[NH2+]C2)ccc1OC(F)F ZINC000423252814 296397200 /nfs/dbraw/zinc/39/72/00/296397200.db2.gz UUUPXCXYYHKJOQ-NWDGAFQWSA-N 2 0 314.376 2.947 20 0 DFADRP CC(C)[C@H](C)[NH2+]Cc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000156903100 197149381 /nfs/dbraw/zinc/14/93/81/197149381.db2.gz FIEJPSRNSGASSL-YJBOKZPZSA-N 2 0 317.477 2.518 20 0 DFADRP C[C@H]([NH2+]CC[C@H]1CCC[NH2+]C1)c1cccc(N2CCCC2=O)c1 ZINC000423257072 296397429 /nfs/dbraw/zinc/39/74/29/296397429.db2.gz HJZVKVMVTADZAU-JKSUJKDBSA-N 2 0 315.461 2.854 20 0 DFADRP C[C@H]([NH2+]CC[C@@H]1CCC[NH2+]C1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000423261225 296397921 /nfs/dbraw/zinc/39/79/21/296397921.db2.gz RUXCKKGAEVMOAW-BJLQDIEVSA-N 2 0 315.505 2.876 20 0 DFADRP COc1cc([C@H](C)[NH2+]CC[C@H]2CCC[NH2+]C2)cc(OC)c1OC ZINC000423261363 296398058 /nfs/dbraw/zinc/39/80/58/296398058.db2.gz RYZDBUHUFKWWGP-UONOGXRCSA-N 2 0 322.449 2.753 20 0 DFADRP CCCC1CCC(C[NH2+]Cc2cn([C@H]3CC[NH2+]C3)nn2)CC1 ZINC000629407031 399594946 /nfs/dbraw/zinc/59/49/46/399594946.db2.gz VUKFXNQATYZMDL-DQPZFDDXSA-N 2 0 305.470 2.509 20 0 DFADRP C[C@H]([NH2+][C@@H]1CCC[C@@H]1C[NH3+])c1ccc(-n2cncn2)cc1Cl ZINC000423264893 296398632 /nfs/dbraw/zinc/39/86/32/296398632.db2.gz CLXWIRTZSYIHOO-HWWQOWPSSA-N 2 0 319.840 2.699 20 0 DFADRP COc1ccc(C[C@@H](C)[NH2+]CC[C@H]2CCC[NH2+]C2)c(C)c1OC ZINC000423269967 296398897 /nfs/dbraw/zinc/39/88/97/296398897.db2.gz HMHWVVNFIMPXMO-GDBMZVCRSA-N 2 0 320.477 2.923 20 0 DFADRP CC[C@@H]([NH2+]CC[C@@H]1CCC[NH2+]C1)c1ccc(C(=O)OC)cc1 ZINC000423268782 296398906 /nfs/dbraw/zinc/39/89/06/296398906.db2.gz GLTLGIYHYCYAJZ-WMLDXEAASA-N 2 0 304.434 2.904 20 0 DFADRP CCC([NH3+])(CC)CN[C@H](C)c1cccc(OCC[NH+](C)C)c1 ZINC000423282877 296400642 /nfs/dbraw/zinc/40/06/42/296400642.db2.gz DFIVHCQWHNSWGJ-OAHLLOKOSA-N 2 0 307.482 2.795 20 0 DFADRP C[C@H]([NH2+][C@H]1CCCC[C@H]1C[NH3+])c1cccc(N2CCCC2=O)c1 ZINC000423274790 296399749 /nfs/dbraw/zinc/39/97/49/296399749.db2.gz MLQCFCUEIFACCC-ZVZYQTTQSA-N 2 0 315.461 2.982 20 0 DFADRP C[NH2+]C[C@H](C)C[NH2+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000423275524 296399832 /nfs/dbraw/zinc/39/98/32/296399832.db2.gz NFPDLWNCQAKANW-OJAHFUOMSA-N 3 0 315.505 2.732 20 0 DFADRP C[NH2+]C[C@H](C)C[NH2+][C@@H](C)c1ccc(OCc2nccn2C)cc1 ZINC000423279407 296400236 /nfs/dbraw/zinc/40/02/36/296400236.db2.gz SJVUHCFXRBXNLY-GJZGRUSLSA-N 2 0 316.449 2.505 20 0 DFADRP C[C@@H]([NH2+]C[C@H]1CCCCO1)c1cccc(OCC[NH+](C)C)c1 ZINC000156404641 197111209 /nfs/dbraw/zinc/11/12/09/197111209.db2.gz VKMUMGVWDVCUGZ-CRAIPNDOSA-N 2 0 306.450 2.847 20 0 DFADRP CC(C)[C@@H](C(=O)NCc1ccccc1C[NH+]1CCCC1)[C@@H](C)[NH3+] ZINC000423314149 296403208 /nfs/dbraw/zinc/40/32/08/296403208.db2.gz VIZCZZOZLRHZTB-CRAIPNDOSA-N 2 0 317.477 2.518 20 0 DFADRP O[C@H]1C[C@@H](C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@H]3CCC[C@@H]32)C1 ZINC000624216894 399600571 /nfs/dbraw/zinc/60/05/71/399600571.db2.gz UPBGDUFBYCPOKQ-IVDHNXQLSA-N 2 0 314.473 2.790 20 0 DFADRP C[C@H]([NH2+]C[C@H]1CC[NH2+]C1)c1ccc(F)c(Br)c1 ZINC000423347017 296406935 /nfs/dbraw/zinc/40/69/35/296406935.db2.gz QMRHIBSWLJTIAO-UWVGGRQHSA-N 2 0 301.203 2.848 20 0 DFADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]CCOc2ccccc2)[C@H](C)C1 ZINC000155246331 197037038 /nfs/dbraw/zinc/03/70/38/197037038.db2.gz PBYKRZYBZIABEH-MJGOQNOKSA-N 2 0 320.477 2.792 20 0 DFADRP Cc1cc([C@H](C)[NH2+]C[C@@H](N2CC[NH2+]CC2)C(F)(F)F)cs1 ZINC000423376151 296410314 /nfs/dbraw/zinc/41/03/14/296410314.db2.gz AQRJTZXHGCQUEA-WCQYABFASA-N 2 0 321.412 2.543 20 0 DFADRP C[C@@H]1CCC[C@@H](C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)C1 ZINC000120363791 195151954 /nfs/dbraw/zinc/15/19/54/195151954.db2.gz MMECTKBBUMVKJB-IAGOWNOFSA-N 2 0 311.514 2.545 20 0 DFADRP CCC[C@H]([NH2+][C@@H](C)CN1CC[NH+](C)CC1)c1ccc(OC)cc1 ZINC000154919285 197005382 /nfs/dbraw/zinc/00/53/82/197005382.db2.gz NCHZXJVGHWSEJC-LPHOPBHVSA-N 2 0 319.493 2.762 20 0 DFADRP CCC[C@@H]([NH2+]C[C@@H](N1CC[NH2+]CC1)C(F)(F)F)C(C)(C)C ZINC000423387240 296411418 /nfs/dbraw/zinc/41/14/18/296411418.db2.gz JWTSQNHCWHBMJO-CHWSQXEVSA-N 2 0 309.420 2.627 20 0 DFADRP CC[C@@H]([NH2+]C[C@@H](N1CC[NH2+]CC1)C(F)(F)F)c1ccsc1 ZINC000423382580 296411065 /nfs/dbraw/zinc/41/10/65/296411065.db2.gz GNAWWEZNLCNDFC-CHWSQXEVSA-N 2 0 321.412 2.625 20 0 DFADRP COCC1(C[NH2+][C@H]2CCCc3cc(OC)ccc32)CC[NH2+]CC1 ZINC000423384874 296411093 /nfs/dbraw/zinc/41/10/93/296411093.db2.gz IFIRYGKZVOTSPY-SFHVURJKSA-N 2 0 318.461 2.678 20 0 DFADRP C[C@@H]1C[NH2+]CC[C@H]1[NH2+]C1CCN(c2ccc(F)cc2F)CC1 ZINC000423387083 296411287 /nfs/dbraw/zinc/41/12/87/296411287.db2.gz HMFAEYLWNOUMNO-MLGOLLRUSA-N 2 0 309.404 2.521 20 0 DFADRP C[C@@H]1CCC[C@H](C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)C1 ZINC000120363471 195152276 /nfs/dbraw/zinc/15/22/76/195152276.db2.gz MMECTKBBUMVKJB-SJORKVTESA-N 2 0 311.514 2.545 20 0 DFADRP C[C@@H]1C[NH2+]CC[C@H]1[NH2+][C@@H]1CCc2cc(Br)ccc2C1 ZINC000423407633 296413360 /nfs/dbraw/zinc/41/33/60/296413360.db2.gz WEDSDTQKGXMZCV-HFBAOOFYSA-N 2 0 323.278 2.894 20 0 DFADRP O[C@@H]1C[NH2+]C[C@H]1C[NH2+][C@H](c1ccc(Cl)cc1)C1CCCC1 ZINC000423410369 296413860 /nfs/dbraw/zinc/41/38/60/296413860.db2.gz ACLYKCLUUUECJF-UAGQMJEPSA-N 2 0 308.853 2.741 20 0 DFADRP COCC1(C[NH2+][C@H](Cc2ccc(F)cc2)C(C)C)CC[NH2+]CC1 ZINC000423413678 296414606 /nfs/dbraw/zinc/41/46/06/296414606.db2.gz ZNLDPEYPUZRFLQ-GOSISDBHSA-N 2 0 322.468 2.999 20 0 DFADRP COc1ccc([C@H](C)[NH2+][C@@H]2C[C@H]2C2CC[NH2+]CC2)cc1OC ZINC000423425912 296415426 /nfs/dbraw/zinc/41/54/26/296415426.db2.gz DQRPVFPDHQZAFN-VBNZEHGJSA-N 2 0 304.434 2.743 20 0 DFADRP COc1ccccc1NC(=O)C[C@H](C)[NH2+][C@H](C)CCCC[NH3+] ZINC000423429248 296415757 /nfs/dbraw/zinc/41/57/57/296415757.db2.gz KCKUJRFNJVXGBL-KGLIPLIRSA-N 2 0 307.438 2.519 20 0 DFADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)[C@H]1C[C@]1(C)C(C)C ZINC000356445175 285248598 /nfs/dbraw/zinc/24/85/98/285248598.db2.gz JBTQLKSZJNQHFW-ZHALLVOQSA-N 2 0 323.525 2.543 20 0 DFADRP C[C@H](CCCO)C[NH2+][C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000294810370 224235956 /nfs/dbraw/zinc/23/59/56/224235956.db2.gz NUDCYTFEKJNZNO-AOIWGVFYSA-N 2 0 304.478 2.895 20 0 DFADRP Brc1ccccc1C[C@H]([NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21)C1CC1 ZINC000423441316 296417011 /nfs/dbraw/zinc/41/70/11/296417011.db2.gz YDWOKFUHZWBUST-LQKXBSAESA-N 2 0 321.262 2.578 20 0 DFADRP COC(=O)CCC[C@@H]1CCC[C@H]([NH2+]C[C@@H]2CCC[C@H]([NH3+])C2)C1 ZINC000423463343 296418503 /nfs/dbraw/zinc/41/85/03/296418503.db2.gz FPXZWONIIPGVLN-YVSFHVDLSA-N 2 0 310.482 2.996 20 0 DFADRP COc1ccc2c(c1F)CC[C@@H]2[NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000423448715 296417516 /nfs/dbraw/zinc/41/75/16/296417516.db2.gz VKPDHECWOMRITI-HRCADAONSA-N 2 0 304.409 2.799 20 0 DFADRP C[C@H]([NH2+]C[C@H]1CCC[C@H]([NH3+])C1)c1cccc(OCC[NH+](C)C)c1 ZINC000423455598 296417950 /nfs/dbraw/zinc/41/79/50/296417950.db2.gz FPAKDPLPGZMNNK-BQFCYCMXSA-N 3 0 319.493 2.795 20 0 DFADRP CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@H](C)CCC[NH3+])c2ccccc21 ZINC000423456908 296418095 /nfs/dbraw/zinc/41/80/95/296418095.db2.gz OICGKQFJQITLJN-XYPHTWIQSA-N 2 0 304.434 2.885 20 0 DFADRP CC(C)NC(=O)Nc1ccc([C@H](C)[NH2+][C@H](C)CCC[NH3+])cc1 ZINC000423471779 296419414 /nfs/dbraw/zinc/41/94/14/296419414.db2.gz ZTCGKKUBHDNKAF-KGLIPLIRSA-N 2 0 306.454 2.995 20 0 DFADRP Cc1cc(C)c([C@H](C)[NH2+]CCCN2CC[NH+](C)CC2)cc1C ZINC000120415617 195162029 /nfs/dbraw/zinc/16/20/29/195162029.db2.gz RPGJNZKASWGMSM-SFHVURJKSA-N 2 0 303.494 2.900 20 0 DFADRP c1ccc(C[C@H]([NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)c2cccnc2)nc1 ZINC000423539310 296427787 /nfs/dbraw/zinc/42/77/87/296427787.db2.gz ICMUZMDERZOVFZ-QOJCHSLYSA-N 2 0 322.456 2.738 20 0 DFADRP COc1cccc(C[C@@H]([NH2+]CCC2=CC[NH2+]CC2)C2CC2)c1 ZINC000423537137 296427808 /nfs/dbraw/zinc/42/78/08/296427808.db2.gz JGXWMWLBDMQSBZ-LJQANCHMSA-N 2 0 300.446 2.916 20 0 DFADRP COCCc1nc(C)c([C@@H](C)[NH2+]CCC2=CC[NH2+]CC2)s1 ZINC000423540867 296428206 /nfs/dbraw/zinc/42/82/06/296428206.db2.gz QYKVXKZOIIPWQD-GFCCVEGCSA-N 2 0 309.479 2.601 20 0 DFADRP C[C@@H]1CCC[C@H]([NH+]2CCC([NH2+]CCC3=CC[NH2+]CC3)CC2)C1 ZINC000423545066 296428555 /nfs/dbraw/zinc/42/85/55/296428555.db2.gz XFNMGRCPTJLWRO-APWZRJJASA-N 3 0 305.510 2.929 20 0 DFADRP Cc1cccc([C@@H](C)[NH2+]C[C@@H](C)CN2CC[NH+](C)CC2)c1C ZINC000120839340 195247395 /nfs/dbraw/zinc/24/73/95/195247395.db2.gz XDGZYFYXWPBUDG-CRAIPNDOSA-N 2 0 303.494 2.838 20 0 DFADRP NC1(C[NH2+][C@H]2CC[C@H]2C2CC2)CC[NH+](Cc2ccccc2)CC1 ZINC000423577955 296430439 /nfs/dbraw/zinc/43/04/39/296430439.db2.gz TWMLFTJXQCORNA-OALUTQOASA-N 2 0 313.489 2.758 20 0 DFADRP C[C@H](C[NH2+][C@H](C)c1ccc(Cl)s1)CN1CC[NH+](C)CC1 ZINC000120852530 195250664 /nfs/dbraw/zinc/25/06/64/195250664.db2.gz YLMMPXLQUGBVIE-CHWSQXEVSA-N 2 0 315.914 2.936 20 0 DFADRP C[C@H](C[NH2+][C@@H](C)c1ccc2c(c1)CCC2)CN1CC[NH+](C)CC1 ZINC000120864232 195253285 /nfs/dbraw/zinc/25/32/85/195253285.db2.gz PNDVZJPTKBVNET-SJORKVTESA-N 2 0 315.505 2.709 20 0 DFADRP CC[C@@H]([NH2+]C[C@@H](C)CN1CC[NH+](C)CC1)c1ccc(OC)cc1 ZINC000120904287 195261724 /nfs/dbraw/zinc/26/17/24/195261724.db2.gz VENMBHURLJVHMR-VQIMIIECSA-N 2 0 319.493 2.619 20 0 DFADRP [NH3+]C1CCC([NH2+][C@@H]2Cc3ccccc3O[C@H]2C(F)(F)F)CC1 ZINC000629512299 399629763 /nfs/dbraw/zinc/62/97/63/399629763.db2.gz CREAJDIINMXJCT-UJFKTDLFSA-N 2 0 314.351 2.781 20 0 DFADRP Cc1cccc2c1C[C@@H]([NH2+][C@@H](C)c1ccc(C[NH3+])nc1C)CO2 ZINC000629515639 399631729 /nfs/dbraw/zinc/63/17/29/399631729.db2.gz VIPMNUWRBITJGQ-GOEBONIOSA-N 2 0 311.429 2.811 20 0 DFADRP Cc1cccc2c1C[C@H]([NH2+][C@@H](C)c1ccc(C[NH3+])nc1C)CO2 ZINC000629515640 399631768 /nfs/dbraw/zinc/63/17/68/399631768.db2.gz VIPMNUWRBITJGQ-HOCLYGCPSA-N 2 0 311.429 2.811 20 0 DFADRP C[C@H]([NH2+]C1(CNC(=O)[C@H](C)[NH+](C)C)CCCC1)c1ccccc1 ZINC000078741995 542483806 /nfs/dbraw/zinc/48/38/06/542483806.db2.gz FXHBDZCJBXJDOG-HOTGVXAUSA-N 2 0 317.477 2.716 20 0 DFADRP Cc1cccc2c1C[C@@H]([NH2+][C@H](C)c1ccc(C[NH3+])nc1C)CO2 ZINC000629515638 399631346 /nfs/dbraw/zinc/63/13/46/399631346.db2.gz VIPMNUWRBITJGQ-GDBMZVCRSA-N 2 0 311.429 2.811 20 0 DFADRP FC(F)CN1CCC[C@@H]1C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1 ZINC000629520851 399633692 /nfs/dbraw/zinc/63/36/92/399633692.db2.gz XXPUZAGFXYLPDY-LVQVYYBASA-N 2 0 315.452 2.616 20 0 DFADRP [NH3+]C1(C[NH2+][C@H](Cc2ccccc2Cl)C2CC2)CCOCC1 ZINC000629520068 399634211 /nfs/dbraw/zinc/63/42/11/399634211.db2.gz KDJCKCRZMZXATE-MRXNPFEDSA-N 2 0 308.853 2.759 20 0 DFADRP C[C@@H]([NH2+]CC1([NH3+])CCOCC1)[C@H](C)c1nc2ccccc2s1 ZINC000629522404 399634879 /nfs/dbraw/zinc/63/48/79/399634879.db2.gz ZGBUOZZRNQTFKY-QWHCGFSZSA-N 2 0 319.474 2.886 20 0 DFADRP C[C@H]([NH2+]CCOCCC[NH3+])[C@H](C)c1nc2ccccc2s1 ZINC000629534923 399638753 /nfs/dbraw/zinc/63/87/53/399638753.db2.gz BYNLEJWUBSSPNO-STQMWFEESA-N 2 0 307.463 2.743 20 0 DFADRP C[C@@H]([NH2+]C[C@H]1CC[N@@H+](C2CC2)C1)c1ccc(Br)nc1 ZINC000289974216 221354007 /nfs/dbraw/zinc/35/40/07/221354007.db2.gz XNHLZRBUVQGASI-VXGBXAGGSA-N 2 0 324.266 2.979 20 0 DFADRP [NH3+]CCCOCC[NH2+][C@H]1CCCOc2cc3c(cc21)CCCC3 ZINC000629534460 399639137 /nfs/dbraw/zinc/63/91/37/399639137.db2.gz AIWVTHQTKPVDFB-SFHVURJKSA-N 2 0 318.461 2.734 20 0 DFADRP C[C@@H]([NH2+]CCOCCC[NH3+])c1cccc(OC(F)(F)F)c1 ZINC000629536194 399639322 /nfs/dbraw/zinc/63/93/22/399639322.db2.gz GAWNXVKJASXMHU-LLVKDONJSA-N 2 0 306.328 2.601 20 0 DFADRP C[C@H]([NH2+]CCOCCC[NH3+])c1cc(Cl)ccc1OC(F)F ZINC000629537750 399640175 /nfs/dbraw/zinc/64/01/75/399640175.db2.gz KWCYLIMBRQZYBR-JTQLQIEISA-N 2 0 322.783 2.957 20 0 DFADRP [NH3+]CCCOCC[NH2+]C1c2ccccc2CCc2ccccc21 ZINC000629540541 399640263 /nfs/dbraw/zinc/64/02/63/399640263.db2.gz VQADZWLHARNNMI-UHFFFAOYSA-N 2 0 310.441 2.830 20 0 DFADRP [NH3+]CCCOCC[NH2+][C@@H]1CCSc2ccc(Cl)cc21 ZINC000629537622 399640473 /nfs/dbraw/zinc/64/04/73/399640473.db2.gz KBESIKIBLPVGIB-CYBMUJFWSA-N 2 0 300.855 2.832 20 0 DFADRP C[C@@H]([NH2+]CCOCCC[NH3+])c1ccc(F)cc1Br ZINC000629541518 399641986 /nfs/dbraw/zinc/64/19/86/399641986.db2.gz PYBKGJBQQMAMKY-SNVBAGLBSA-N 2 0 319.218 2.604 20 0 DFADRP CC[C@@H](c1ccc(Br)cc1)[N@H+](C)CCOCC[NH3+] ZINC000629577442 399653285 /nfs/dbraw/zinc/65/32/85/399653285.db2.gz IAQMRMXOTJPSBO-AWEZNQCLSA-N 2 0 315.255 2.807 20 0 DFADRP CC(C)c1ccc(C[C@@H](C)[NH2+]C[C@H](O)C[NH+]2CCCC2)cc1 ZINC000629574912 399653394 /nfs/dbraw/zinc/65/33/94/399653394.db2.gz LSMWKZKTMNEEDR-APWZRJJASA-N 2 0 304.478 2.787 20 0 DFADRP O[C@@H](C[NH2+]CC1(Cc2cccc(Cl)c2)CC1)C[NH+]1CCCC1 ZINC000629580027 399654018 /nfs/dbraw/zinc/65/40/18/399654018.db2.gz KTLYXKIWAKDQLJ-KRWDZBQOSA-N 2 0 322.880 2.709 20 0 DFADRP O[C@H](C[NH2+]CCCCc1ccc(Cl)s1)C[NH+]1CCCC1 ZINC000629581239 399654222 /nfs/dbraw/zinc/65/42/22/399654222.db2.gz SRZSNIIXNHKAJR-CYBMUJFWSA-N 2 0 316.898 2.771 20 0 DFADRP [NH3+][C@@H]1CCC[C@H]([NH2+][C@@H]2CCN(c3ccc(Cl)cc3F)C2)C1 ZINC000629544639 399642690 /nfs/dbraw/zinc/64/26/90/399642690.db2.gz JTAUJSUPNOZEDD-HZSPNIEDSA-N 2 0 311.832 2.917 20 0 DFADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]CC(C)(C)C(=O)N1CCCC1 ZINC000629549587 399643438 /nfs/dbraw/zinc/64/34/38/399643438.db2.gz SKYKEGZJGUVVLV-CVEARBPZSA-N 2 0 309.498 2.535 20 0 DFADRP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCC[N@@H+]2Cc2cc(O)ccc2Cl)C1 ZINC000629549092 399643471 /nfs/dbraw/zinc/64/34/71/399643471.db2.gz QDWUYVSBPHUZHF-COXVUDFISA-N 2 0 324.852 2.906 20 0 DFADRP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+]Cc1ccc2oc(=O)n(C)c2c1 ZINC000629550017 399645518 /nfs/dbraw/zinc/64/55/18/399645518.db2.gz WDWCFSRKRRHVDF-UKRRQHHQSA-N 2 0 317.433 2.532 20 0 DFADRP C[C@@H]([C@H](C)[NH2+]Cc1cn([C@H]2CC[NH2+]C2)nn1)C1CCCCC1 ZINC000629554040 399646809 /nfs/dbraw/zinc/64/68/09/399646809.db2.gz YSIVNTICZZDXGL-ZQIUZPCESA-N 2 0 305.470 2.507 20 0 DFADRP COc1ccc([C@H](C[NH3+])C[NH+]2C[C@H](C)C(F)(F)[C@@H](C)C2)cc1 ZINC000629552800 399646934 /nfs/dbraw/zinc/64/69/34/399646934.db2.gz QJIPYHDUARNZQC-KCQAQPDRSA-N 2 0 312.404 2.961 20 0 DFADRP C[C@H]([NH3+])[C@H]1COCC[C@@H]1[NH2+]CCc1c[nH]c2c1cccc2Cl ZINC000629556500 399648103 /nfs/dbraw/zinc/64/81/03/399648103.db2.gz RAZUDFLRQPVIIO-PEYYIBSZSA-N 2 0 321.852 2.706 20 0 DFADRP [NH3+]C[C@@H]1CN(CCOc2ccccc2)CC[C@H]1C(F)(F)F ZINC000629566160 399651522 /nfs/dbraw/zinc/65/15/22/399651522.db2.gz MKGWEZQTLNFYIL-TZMCWYRMSA-N 2 0 302.340 2.525 20 0 DFADRP C[NH2+]CCOCCN(C)Cc1csc(-c2ccccc2F)n1 ZINC000629570110 399652553 /nfs/dbraw/zinc/65/25/53/399652553.db2.gz ICGQBZRUBHMCRU-UHFFFAOYSA-N 2 0 323.437 2.617 20 0 DFADRP COc1ccc(-c2ccccc2)cc1C[NH2+]CCOCCC[NH3+] ZINC000629681672 399688074 /nfs/dbraw/zinc/68/80/74/399688074.db2.gz TWWVERFRABSSBE-UHFFFAOYSA-N 2 0 314.429 2.817 20 0 DFADRP Cn1ccc(C[NH2+]C[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)c1 ZINC000629649089 399675009 /nfs/dbraw/zinc/67/50/09/399675009.db2.gz HQGGRCABOAYVNU-FUHWJXTLSA-N 2 0 301.409 2.647 20 0 DFADRP C[NH2+][C@@H](CO)c1cccc(-c2ccc(C[NH+](C)C)c(F)c2)c1 ZINC000629708817 399696961 /nfs/dbraw/zinc/69/69/61/399696961.db2.gz LQZHTTBIHYUEOB-SFHVURJKSA-N 2 0 302.393 2.807 20 0 DFADRP C[NH+](C)Cc1ccc(-c2cnn(C3CC[NH2+]CC3)c2)cc1F ZINC000629708488 399697590 /nfs/dbraw/zinc/69/75/90/399697590.db2.gz ICIAWXZVRXSCMQ-UHFFFAOYSA-N 2 0 302.397 2.675 20 0 DFADRP C[C@H]([NH3+])Cc1cccc(-c2ccccc2C[NH+]2CCN(C)CC2)c1 ZINC000629735117 399707493 /nfs/dbraw/zinc/70/74/93/399707493.db2.gz ITPWYSNDMKRIIU-KRWDZBQOSA-N 2 0 323.484 2.991 20 0 DFADRP [NH3+]C1CC[NH+](Cc2cccc(-c3ccc(F)cc3CO)c2)CC1 ZINC000629738252 399708821 /nfs/dbraw/zinc/70/88/21/399708821.db2.gz KNMHKCLNXYHOBC-UHFFFAOYSA-N 2 0 314.404 2.908 20 0 DFADRP C[C@H]([NH2+][C@@H]1C[C@H](C)N(c2ccccc2)C1=O)C1CC[NH+](C)CC1 ZINC000090115646 542534722 /nfs/dbraw/zinc/53/47/22/542534722.db2.gz NXNNTTXMVRLIMR-RLFYNMQTSA-N 2 0 315.461 2.500 20 0 DFADRP CC[C@H]1C[N@H+](Cc2ccc(OCC[NH+](C)C)cc2)CCS1 ZINC000093502017 542552964 /nfs/dbraw/zinc/55/29/64/542552964.db2.gz MYWYVZLXLHVNBY-KRWDZBQOSA-N 2 0 308.491 2.954 20 0 DFADRP CC[C@H]1CC[C@@H]1[NH2+]Cc1ccc(CN2CC[NH+](C)CC2)cc1 ZINC000348104012 285351661 /nfs/dbraw/zinc/35/16/61/285351661.db2.gz NHYRUNKAVAAACL-OALUTQOASA-N 2 0 301.478 2.712 20 0 DFADRP CO[C@@H]1CCN([C@@H]2CCC[C@@H]2[NH2+]Cc2cc(F)ccc2C)C1 ZINC000626050342 399734419 /nfs/dbraw/zinc/73/44/19/399734419.db2.gz MEBUWEQMRFACFD-FGTMMUONSA-N 2 0 306.425 2.866 20 0 DFADRP C[NH+](C)CCN(CC1CCCCC1)C(=O)CCC1CC[NH2+]CC1 ZINC000423761868 296444649 /nfs/dbraw/zinc/44/46/49/296444649.db2.gz PLJUEJCLVGYZRS-UHFFFAOYSA-N 2 0 323.525 2.737 20 0 DFADRP C[C@H](C[NH2+][C@@H]1CCCc2ccccc21)CN1CC[NH+](C)CC1 ZINC000121029386 195282357 /nfs/dbraw/zinc/28/23/57/195282357.db2.gz RPYLZZCBYFPALG-VQIMIIECSA-N 2 0 301.478 2.537 20 0 DFADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+][C@H](C)c2ccccc2F)CC1 ZINC000121101318 195293329 /nfs/dbraw/zinc/29/33/29/195293329.db2.gz NCRIQRJXMTXPAZ-JKSUJKDBSA-N 2 0 307.457 2.750 20 0 DFADRP CC[C@@H]([NH2+]CC1CC[NH+](C)CC1)c1ccc2c(c1)OCCO2 ZINC000126237354 195822056 /nfs/dbraw/zinc/82/20/56/195822056.db2.gz CIBWNBHMQHSZPI-MRXNPFEDSA-N 2 0 304.434 2.840 20 0 DFADRP CC[N@H+](Cc1ccc(C[NH+](C)C)cc1)C[C@](C)(O)C(F)(F)F ZINC000626063275 399742303 /nfs/dbraw/zinc/74/23/03/399742303.db2.gz YCGWRXSTHNRIDT-HNNXBMFYSA-N 2 0 318.383 2.883 20 0 DFADRP CC[N@@H+](Cc1ccc(C[NH+](C)C)cc1)C[C@H](O)CC(F)(F)F ZINC000626063196 399742781 /nfs/dbraw/zinc/74/27/81/399742781.db2.gz VFPYYNMEHSPKHV-OAHLLOKOSA-N 2 0 318.383 2.883 20 0 DFADRP COCCCC[N@H+]1C[C@@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1 ZINC000309949325 533258518 /nfs/dbraw/zinc/25/85/18/533258518.db2.gz FICYPLSOJPCGPU-RTBURBONSA-N 2 0 302.462 2.867 20 0 DFADRP C[C@@H]([NH2+][C@@H]1CCCN(c2ccccc2)C1)C1CC[NH+](C)CC1 ZINC000120438177 542578444 /nfs/dbraw/zinc/57/84/44/542578444.db2.gz PNGRYVOSOYVHHX-SJLPKXTDSA-N 2 0 301.478 2.975 20 0 DFADRP CCC[NH+]1CCC(NCc2ccccc2OCC[NH+](C)C)CC1 ZINC000122268785 542588488 /nfs/dbraw/zinc/58/84/88/542588488.db2.gz LUOHNKUBSNLLMZ-UHFFFAOYSA-N 2 0 319.493 2.591 20 0 DFADRP CCCc1ccc(C[NH2+]C2CCN(CC[NH+](C)C)CC2)s1 ZINC000621328176 399755801 /nfs/dbraw/zinc/75/58/01/399755801.db2.gz JJDFHSVMPKAYBA-UHFFFAOYSA-N 2 0 309.523 2.816 20 0 DFADRP CCCc1ccc(C[NH2+]C[C@@H](C)N2CC[NH+](CC)CC2)s1 ZINC000621328911 399756562 /nfs/dbraw/zinc/75/65/62/399756562.db2.gz IHKVUESNFMKDLP-OAHLLOKOSA-N 2 0 309.523 2.816 20 0 DFADRP CC[NH+]1CCN(C[C@H](C)C[NH2+]C[C@@H]2C[C@H]2c2ccccc2)CC1 ZINC000348246328 285447268 /nfs/dbraw/zinc/44/72/68/285447268.db2.gz PQFHRYMPIXXRRN-HOJAQTOUSA-N 2 0 315.505 2.653 20 0 DFADRP CC[NH+](CC)Cc1cccc(CNC(=O)C[N@H+](C)C2CCC2)c1 ZINC000629949712 399763903 /nfs/dbraw/zinc/76/39/03/399763903.db2.gz LFMQEHLZVOVJIY-UHFFFAOYSA-N 2 0 317.477 2.629 20 0 DFADRP [NH3+]C[C@H]1Cc2ccccc2N(C(=O)CC[C@H]([NH3+])c2ccccc2)C1 ZINC000632869592 399772430 /nfs/dbraw/zinc/77/24/30/399772430.db2.gz RXGGERZBFRXXCO-QAPCUYQASA-N 2 0 323.440 2.631 20 0 DFADRP COc1ccccc1O[C@H](C)C[NH2+][C@@H](C)C1CC[NH+](C)CC1 ZINC000129669550 542625927 /nfs/dbraw/zinc/62/59/27/542625927.db2.gz PITKHIGOXUJWFX-CABCVRRESA-N 2 0 306.450 2.782 20 0 DFADRP CC(C)[C@H](C[NH2+]C[C@H]1C[C@H]1c1ccccc1)N1CC[NH+](C)CC1 ZINC000348256542 285453569 /nfs/dbraw/zinc/45/35/69/285453569.db2.gz HYSOAOJUDVPXJL-AABGKKOBSA-N 2 0 315.505 2.652 20 0 DFADRP CCC[N@H+](C)C[C@@H]1CC[NH+](C[C@H](O)Cc2cccc(Cl)c2)C1 ZINC000287966129 131308320 /nfs/dbraw/zinc/30/83/20/131308320.db2.gz ZANBMHKFIZKPRK-FUHWJXTLSA-N 2 0 324.896 2.907 20 0 DFADRP CCC[N@H+](CC)Cc1ccc(C(=O)NCC2([NH2+]C)CCC2)cc1 ZINC000630000072 399787775 /nfs/dbraw/zinc/78/77/75/399787775.db2.gz DOEOHMMSHOPZGH-UHFFFAOYSA-N 2 0 317.477 2.790 20 0 DFADRP [NH3+][C@@H](C(=O)NCc1ccc(C[NH+]2CCCC2)cc1)c1ccccc1 ZINC000163848536 132123674 /nfs/dbraw/zinc/12/36/74/132123674.db2.gz OGLVOMSDESEMHS-LJQANCHMSA-N 2 0 323.440 2.599 20 0 DFADRP CC(C)C[C@@](C)(C[NH3+])NC(=O)CC[C@H]([NH3+])CC1CCCCC1 ZINC000424083286 296484024 /nfs/dbraw/zinc/48/40/24/296484024.db2.gz XAINFWPJWWGXIJ-WMZOPIPTSA-N 2 0 311.514 2.944 20 0 DFADRP C[C@H]([NH2+]CCN1c2ccccc2C[C@@H]1C)C1CC[NH+](C)CC1 ZINC000162744060 542740407 /nfs/dbraw/zinc/74/04/07/542740407.db2.gz QVMOVRRBEXNEJK-HOTGVXAUSA-N 2 0 301.478 2.758 20 0 DFADRP COC1CCN(CC[NH2+][C@H]2CCSc3ccccc32)CC1 ZINC000163655503 542742981 /nfs/dbraw/zinc/74/29/81/542742981.db2.gz OXWWEXGASBITKB-INIZCTEOSA-N 2 0 306.475 2.924 20 0 DFADRP c1ccc(CCOCCC[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000166234816 542749489 /nfs/dbraw/zinc/74/94/89/542749489.db2.gz ZKGXFBCVNYCIGR-RTBURBONSA-N 2 0 302.462 2.852 20 0 DFADRP C[C@@H](CNC(=O)[C@@H]([NH3+])c1cccc(Cl)c1)C[NH+]1CCCCC1 ZINC000165664314 542749650 /nfs/dbraw/zinc/74/96/50/542749650.db2.gz LPJBPIWVDSQAFS-BBRMVZONSA-N 2 0 323.868 2.578 20 0 DFADRP CC(C)C(=O)Nc1ccc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000166053248 542750314 /nfs/dbraw/zinc/75/03/14/542750314.db2.gz UAGJJHKTLKLIOO-ZWKOTPCHSA-N 2 0 315.461 2.998 20 0 DFADRP CC(C)[N@@H+]1CCC[C@H](CNC(=O)[C@H]([NH3+])c2cccc(Cl)c2)C1 ZINC000166357196 542751264 /nfs/dbraw/zinc/75/12/64/542751264.db2.gz AFFYTMDSSKYXFP-CZUORRHYSA-N 2 0 323.868 2.576 20 0 DFADRP CC[NH+](CC)[C@H](CN[C@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccco1 ZINC000166381146 542751531 /nfs/dbraw/zinc/75/15/31/542751531.db2.gz MQDGEYLZLXUSOH-GVDBMIGSSA-N 2 0 305.466 2.879 20 0 DFADRP [NH3+]C1(CC(=O)NCc2ccccc2C[NH+]2CCCCC2)CCC1 ZINC000163891340 542744483 /nfs/dbraw/zinc/74/44/83/542744483.db2.gz GQEXMAJYFKQPPY-UHFFFAOYSA-N 2 0 315.461 2.560 20 0 DFADRP COc1ccc(O[C@H](C)C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000166726410 542752237 /nfs/dbraw/zinc/75/22/37/542752237.db2.gz FQCYKVDKIXJTBK-OWCLPIDISA-N 2 0 304.434 2.679 20 0 DFADRP CC(C)C[C@@H]([NH3+])C(=O)NCC(C)(C)[NH2+][C@@H](C)c1ccccc1 ZINC000167617850 542753273 /nfs/dbraw/zinc/75/32/73/542753273.db2.gz WVZBEXQSCXCSCE-GOEBONIOSA-N 2 0 305.466 2.605 20 0 DFADRP CC[C@@H](C(=O)N1CCC[C@@H]([NH+]2CCCC2)CC1)[NH+](CC)CC ZINC000348418474 285536690 /nfs/dbraw/zinc/53/66/90/285536690.db2.gz VCUSTHGKPWPUAR-SJORKVTESA-N 2 0 309.498 2.584 20 0 DFADRP [NH3+]C[C@H]1CC[C@H](CNC(=O)CC[C@H]([NH3+])CC2CCCCC2)CC1 ZINC000424180838 296491021 /nfs/dbraw/zinc/49/10/21/296491021.db2.gz WMQSXDXGRQSWPY-BZSNNMDCSA-N 2 0 323.525 2.946 20 0 DFADRP C[C@@H](C[NH2+][C@@H]1CCSc2c(F)cccc21)N1CC[NH+](C)CC1 ZINC000178773768 542778101 /nfs/dbraw/zinc/77/81/01/542778101.db2.gz JPPCQAVEGSYECV-XJKSGUPXSA-N 2 0 323.481 2.588 20 0 DFADRP C[C@H]1C[C@@H]([NH2+]CCc2nc(-c3ccccn3)cs2)CC[N@@H+]1C ZINC000181009966 542787259 /nfs/dbraw/zinc/78/72/59/542787259.db2.gz NGMXWDDMOXEJFW-KBPBESRZSA-N 2 0 316.474 2.820 20 0 DFADRP CCC[NH+]1CCC(Nc2ccc(CN3CCOCC3)cc2)CC1 ZINC000236797417 542897786 /nfs/dbraw/zinc/89/77/86/542897786.db2.gz BHBUSNXDDHCTPA-UHFFFAOYSA-N 2 0 317.477 2.805 20 0 DFADRP CC[NH+](CC)CCOc1ccc(NC(=O)CC2([NH3+])CCC2)cc1 ZINC000236885344 542898583 /nfs/dbraw/zinc/89/85/83/542898583.db2.gz KYVOYBPYZKYBLO-UHFFFAOYSA-N 2 0 319.449 2.617 20 0 DFADRP FC1(F)CCC[C@H](C[NH+]2CCC(n3ncc4c3C[NH2+]C4)CC2)C1 ZINC000424287018 296498967 /nfs/dbraw/zinc/49/89/67/296498967.db2.gz ICEMEZLKPHFQTA-ZDUSSCGKSA-N 2 0 324.419 2.949 20 0 DFADRP CCCC[NH+]1CCN(c2ccccc2OCC[NH+](C)C)CC1 ZINC000348525940 285585339 /nfs/dbraw/zinc/58/53/39/285585339.db2.gz QHNZXACJUFRLFJ-UHFFFAOYSA-N 2 0 305.466 2.549 20 0 DFADRP C[C@H]([NH2+][C@@H]1C[C@H]2CC[C@@H]1O2)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000274937623 542974799 /nfs/dbraw/zinc/97/47/99/542974799.db2.gz SFHCTXWUQAZYNR-IJCBKZNRSA-N 2 0 300.446 2.807 20 0 DFADRP COc1cc2c(cc1OC)[C@@H]([NH2+]CCC[NH+]1CCCC1)CC2 ZINC000280180404 542987002 /nfs/dbraw/zinc/98/70/02/542987002.db2.gz RPCRSNPEUSZPBU-INIZCTEOSA-N 2 0 304.434 2.767 20 0 DFADRP CO[C@H]1C[C@H]2C[C@@H]([NH2+]CC3(SC)CC[NH+](C)CC3)C[C@H]2C1 ZINC000424342532 296504122 /nfs/dbraw/zinc/50/41/22/296504122.db2.gz DGKROGQQNWRASC-GEEKYZPCSA-N 2 0 312.523 2.607 20 0 DFADRP CC1CCC(C[NH+]2CCC(n3ncc4c3C[NH2+]C4)CC2)CC1 ZINC000424373846 296505420 /nfs/dbraw/zinc/50/54/20/296505420.db2.gz HKXBIFSHALTVEU-UHFFFAOYSA-N 2 0 302.466 2.950 20 0 DFADRP Cc1cc(C[NH3+])cc(NC(=O)NCCCCC[NH+]2CCCC2)c1 ZINC000424417379 296508028 /nfs/dbraw/zinc/50/80/28/296508028.db2.gz ADLVRYPJZWTFEX-UHFFFAOYSA-N 2 0 318.465 2.841 20 0 DFADRP CC[N@@H+]1CC[C@H]([NH2+]CCc2cccc(C(F)(F)F)n2)[C@H](C)C1 ZINC000293774017 543021919 /nfs/dbraw/zinc/02/19/19/543021919.db2.gz SKJKDWJGPQGKJM-OCCSQVGLSA-N 2 0 315.383 2.963 20 0 DFADRP COCC[C@H](C)[N@@H+]1C[C@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000309982704 543066521 /nfs/dbraw/zinc/06/65/21/543066521.db2.gz VXLXDSXMBLSBMH-UHOSZYNNSA-N 2 0 302.462 2.865 20 0 DFADRP C[NH+]1CCN(C(C)(C)C[NH2+]Cc2ccsc2Cl)CC1 ZINC000312607983 543067574 /nfs/dbraw/zinc/06/75/74/543067574.db2.gz DSVUYYXBSXOQLY-UHFFFAOYSA-N 2 0 301.887 2.517 20 0 DFADRP C[C@@H]([NH2+]C[C@H](c1ccco1)N1CCCC1)C1CC[NH+](C)CC1 ZINC000315502688 543071761 /nfs/dbraw/zinc/07/17/61/543071761.db2.gz XLFZLAHSZYNZMK-NVXWUHKLSA-N 2 0 305.466 2.736 20 0 DFADRP COc1cc2cc[nH+]c(NC[C@H](C)C[NH+](C)C)c2cc1OC ZINC000319544987 543079787 /nfs/dbraw/zinc/07/97/87/543079787.db2.gz DXWBPYZZRQCBEU-LBPRGKRZSA-N 2 0 303.406 2.862 20 0 DFADRP CC[C@H]([NH2+]CC(C)(C)N1CC[NH+](C)CC1)c1ccc(OC)cc1 ZINC000320176143 543080980 /nfs/dbraw/zinc/08/09/80/543080980.db2.gz NODBERIAROQKBW-SFHVURJKSA-N 2 0 319.493 2.762 20 0 DFADRP Cc1ccc(NC(=O)CN2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)cc1F ZINC000321008305 543083854 /nfs/dbraw/zinc/08/38/54/543083854.db2.gz OYIFEIAOXOXQGF-RHSMWYFYSA-N 2 0 319.424 2.537 20 0 DFADRP CC[NH+](CC)CCC[C@@H](C)NC(=O)c1cccc2c1CC[NH2+]C2 ZINC000322294188 543088728 /nfs/dbraw/zinc/08/87/28/543088728.db2.gz RWPHFLDPMMISHR-OAHLLOKOSA-N 2 0 317.477 2.573 20 0 DFADRP CC[NH+](CC)[C@H](C)CNC(=O)[C@@H](c1ccccc1)[NH+](CC)CC ZINC000348870123 285707224 /nfs/dbraw/zinc/70/72/24/285707224.db2.gz AKRWEJUDJGQVSX-SJLPKXTDSA-N 2 0 319.493 2.916 20 0 DFADRP C[C@H]1CCCC[N@@H+]1CCC(=O)N(C)CC[NH+](C)C1CCCCC1 ZINC000339268948 543142797 /nfs/dbraw/zinc/14/27/97/543142797.db2.gz HHCADQWRVJBXFQ-KRWDZBQOSA-N 2 0 323.525 2.974 20 0 DFADRP C[C@H]1CCCC[N@@H+]1CCC(=O)NC1CC[NH+](C(C)(C)C)CC1 ZINC000339266327 543142818 /nfs/dbraw/zinc/14/28/18/543142818.db2.gz YGKBVDNHAUJOKY-HNNXBMFYSA-N 2 0 309.498 2.630 20 0 DFADRP CC1CC[NH+](CCCCNC(=O)CC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000339262629 543142885 /nfs/dbraw/zinc/14/28/85/543142885.db2.gz FIHGBZVKJORVDR-SFHVURJKSA-N 2 0 323.525 2.879 20 0 DFADRP C[C@@H]1CCCC[N@@H+]1CCC(=O)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000339278969 543143258 /nfs/dbraw/zinc/14/32/58/543143258.db2.gz NNXQBEONPVUICP-MSOLQXFVSA-N 2 0 321.509 2.585 20 0 DFADRP CC(C)C(=O)Nc1ccc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000339072150 543139686 /nfs/dbraw/zinc/13/96/86/543139686.db2.gz UAGJJHKTLKLIOO-ROUUACIJSA-N 2 0 315.461 2.998 20 0 DFADRP COc1cccc(O[C@H](C)C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000339068373 543139899 /nfs/dbraw/zinc/13/98/99/543139899.db2.gz GFCQQTNPFOFRMU-PMPSAXMXSA-N 2 0 304.434 2.679 20 0 DFADRP COc1ccc(COCCC[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000339067218 543140227 /nfs/dbraw/zinc/14/02/27/543140227.db2.gz FKYCVDLFRFYYNG-ROUUACIJSA-N 2 0 318.461 2.818 20 0 DFADRP Cc1nc2ccccc2n1CCC[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000339070259 543140270 /nfs/dbraw/zinc/14/02/70/543140270.db2.gz ZWVREICJEOJFQJ-SJORKVTESA-N 2 0 312.461 2.951 20 0 DFADRP C(N[C@H]1CC[N@@H+]2CCC[C@H]2C1)C1([NH+]2CCSCC2)CCCC1 ZINC000339076604 543140292 /nfs/dbraw/zinc/14/02/92/543140292.db2.gz VAOXKUCJLTZXDL-IRXDYDNUSA-N 2 0 323.550 2.564 20 0 DFADRP C[C@@H]1CCCC[N@@H+]1CCC(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000339233461 543142148 /nfs/dbraw/zinc/14/21/48/543142148.db2.gz CNRFVRSXMOVXOI-SJLPKXTDSA-N 2 0 317.477 2.670 20 0 DFADRP Cc1ccc(C)c([C@@H](C)[NH2+][C@@H](C)CCN2CC[NH+](C)CC2)c1 ZINC000349314723 285829324 /nfs/dbraw/zinc/82/93/24/285829324.db2.gz RTEBCBIQHLKDPW-ZWKOTPCHSA-N 2 0 303.494 2.980 20 0 DFADRP Cc1ccc(C)c([C@H](C)[NH2+][C@@H](C)CCN2CC[NH+](C)CC2)c1 ZINC000349314720 285829530 /nfs/dbraw/zinc/82/95/30/285829530.db2.gz RTEBCBIQHLKDPW-ROUUACIJSA-N 2 0 303.494 2.980 20 0 DFADRP C[C@@H]1C[C@@H](NC[C@@H]2CCCC[NH2+]2)CC[N@@H+]1Cc1ccccc1 ZINC000379659409 543297530 /nfs/dbraw/zinc/29/75/30/543297530.db2.gz ZVQFQEOSGLUAPX-NEWSRXKRSA-N 2 0 301.478 2.771 20 0 DFADRP Cc1ccc(C)c([C@H](C)[NH2+]CC(C)(C)N2CC[NH+](C)CC2)c1 ZINC000386979730 543301399 /nfs/dbraw/zinc/30/13/99/543301399.db2.gz ZIAYRWBDTXFPFC-KRWDZBQOSA-N 2 0 303.494 2.980 20 0 DFADRP C[C@@H]([NH2+][C@@H]1CN(Cc2ccccc2)C[C@H]1C)C1CC[NH+](C)CC1 ZINC000389794620 543305543 /nfs/dbraw/zinc/30/55/43/543305543.db2.gz SNWPVHWITXRPNW-MBOZVWFJSA-N 2 0 315.505 2.827 20 0 DFADRP C[C@@H]([NH2+][C@H]1CCN(Cc2ccccc2)C1)C1CC[NH+](C)CC1 ZINC000390765961 543307118 /nfs/dbraw/zinc/30/71/18/543307118.db2.gz QPLMMBOAACFNSD-APWZRJJASA-N 3 0 301.478 2.581 20 0 DFADRP CC[N@H+](C)C[C@H]1CC[NH+](CCCOc2ccc(OC)cc2)C1 ZINC000072858112 145190389 /nfs/dbraw/zinc/19/03/89/145190389.db2.gz SVNOPSDNRJZVRK-MRXNPFEDSA-N 2 0 306.450 2.738 20 0 DFADRP C[C@@H]([NH2+]C[C@H]1CC[N@H+](CCc2ccccc2)C1)C1CCOCC1 ZINC000165347484 145229412 /nfs/dbraw/zinc/22/94/12/145229412.db2.gz JCAVKIUHBRDUSB-IEBWSBKVSA-N 2 0 316.489 2.956 20 0 DFADRP C[C@@H]([NH2+]C[C@H](C1CC1)N(C)C)c1ccc(OCC[NH+](C)C)cc1 ZINC000166197497 145232728 /nfs/dbraw/zinc/23/27/28/145232728.db2.gz ROVPOWNXRFKQJT-DNVCBOLYSA-N 2 0 319.493 2.618 20 0 DFADRP C[C@@H]([NH2+]C[C@@H](C1CC1)N(C)C)c1ccc(OCC[NH+](C)C)cc1 ZINC000166197256 145233434 /nfs/dbraw/zinc/23/34/34/145233434.db2.gz ROVPOWNXRFKQJT-BEFAXECRSA-N 2 0 319.493 2.618 20 0 DFADRP CC1CCC([NH+]2CCC(N(C)C(=O)[C@@H]3CC[C@H]([NH3+])C3)CC2)CC1 ZINC000166555878 145235912 /nfs/dbraw/zinc/23/59/12/145235912.db2.gz FCDXZVAQRSPCRT-NDUQDZPOSA-N 2 0 321.509 2.615 20 0 DFADRP Cc1ccc([C@H](CNC(=O)C2([NH3+])CCCCC2)[NH+]2CCCC2)o1 ZINC000167143541 145239142 /nfs/dbraw/zinc/23/91/42/145239142.db2.gz YMSYCEAHFXZQDX-HNNXBMFYSA-N 2 0 319.449 2.503 20 0 DFADRP C[C@H]([NH3+])[C@@H]1CCN(Cc2nc(-c3ccc(Cl)cc3)no2)C1 ZINC000168676048 145243819 /nfs/dbraw/zinc/24/38/19/145243819.db2.gz IEKIWIPWSPGTJS-CMPLNLGQSA-N 2 0 306.797 2.559 20 0 DFADRP CCOc1cc(CN[C@@H]2C[C@@H](C)[N@H+](C)C[C@@H]2C)ccc1OC ZINC000168811866 145244211 /nfs/dbraw/zinc/24/42/11/145244211.db2.gz FGICBCFJOOMQPK-SQWLQELKSA-N 2 0 306.450 2.912 20 0 DFADRP C[C@H](C(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)[C@@H]([NH3+])c1ccccc1 ZINC000168987205 145246469 /nfs/dbraw/zinc/24/64/69/145246469.db2.gz WUHITGGJTBJISI-BHYGNILZSA-N 2 0 319.493 2.805 20 0 DFADRP [NH3+][C@@H]1CCC[C@H](NC2CC[NH+](CCc3ccc(F)cc3)CC2)C1 ZINC000414925359 543327746 /nfs/dbraw/zinc/32/77/46/543327746.db2.gz LQMJQAHQFUBNSP-MJGOQNOKSA-N 2 0 319.468 2.692 20 0 DFADRP C[NH2+]C[C@@H](C)C[NH2+]Cc1ccc(Br)c2cccnc12 ZINC000414850267 543328050 /nfs/dbraw/zinc/32/80/50/543328050.db2.gz ZECQCIKSTYEQEJ-LLVKDONJSA-N 2 0 322.250 2.942 20 0 DFADRP Cc1nn(-c2cccc(F)c2)cc1C[NH2+][C@H]1CCC[C@@H]([NH3+])C1 ZINC000414916800 543328082 /nfs/dbraw/zinc/32/80/82/543328082.db2.gz PCYVKLCNYDVYOA-CVEARBPZSA-N 2 0 302.397 2.679 20 0 DFADRP COc1sc(C[NH2+][C@H]2CCC[C@H]([NH3+])C2)cc1Br ZINC000414937186 543328467 /nfs/dbraw/zinc/32/84/67/543328467.db2.gz ZWESZSOPZSKMML-IUCAKERBSA-N 2 0 319.268 2.879 20 0 DFADRP C[NH+](C)CC(C)(C)CNC(=O)C1CC[NH+]([C@@H]2C=CCCC2)CC1 ZINC000172984255 145327263 /nfs/dbraw/zinc/32/72/63/145327263.db2.gz HUOWCMYQKGCYAC-QGZVFWFLSA-N 2 0 321.509 2.511 20 0 DFADRP COc1cc(C[NH+](C)C)ccc1NC(=O)C[N@H+]1[C@H](C)CC[C@@H]1C ZINC000633373072 399894208 /nfs/dbraw/zinc/89/42/08/399894208.db2.gz HZMMDTWADITOAN-OKILXGFUSA-N 2 0 319.449 2.568 20 0 DFADRP Cc1scc(C[NH2+]CC2CC[NH+](CCN(C)C)CC2)c1C ZINC000631063700 399972307 /nfs/dbraw/zinc/97/23/07/399972307.db2.gz GKPRVDWIGJLJAE-UHFFFAOYSA-N 2 0 309.523 2.728 20 0 DFADRP C[C@@H](C[NH2+]Cc1ccc(F)c2ccccc12)N1CC[NH+](C)CC1 ZINC000631063306 399972309 /nfs/dbraw/zinc/97/23/09/399972309.db2.gz BGKWEPHEBARKOW-HNNXBMFYSA-N 2 0 315.436 2.704 20 0 DFADRP Cc1cc(C)c(/C=C\C[NH2+][C@@H](C)CN2CC[NH+](C)CC2)cc1C ZINC000631067230 399973339 /nfs/dbraw/zinc/97/33/39/399973339.db2.gz INKOQDOWNPWSQN-RURPWVQCSA-N 2 0 315.505 2.851 20 0 DFADRP C[NH+]1CCC(O)(C[NH2+]Cc2oc3ccccc3c2Cl)CC1 ZINC000631078384 399976273 /nfs/dbraw/zinc/97/62/73/399976273.db2.gz UIFQNONQDKWKFZ-UHFFFAOYSA-N 2 0 308.809 2.633 20 0 DFADRP CC(C)(C)[N@@H+]1CCCN(C(=O)NCC2([NH3+])CCCCCC2)CC1 ZINC000634037633 399977004 /nfs/dbraw/zinc/97/70/04/399977004.db2.gz ZMSQXEBSGSITKX-UHFFFAOYSA-N 2 0 324.513 2.554 20 0 DFADRP C[N@@H+]1CCCC[C@H](CNC(=O)c2ccc(-c3c[nH]cn3)cc2)C1 ZINC000633678467 399933686 /nfs/dbraw/zinc/93/36/86/399933686.db2.gz DXCCOSLXBXYKJU-CQSZACIVSA-N 2 0 312.417 2.538 20 0 DFADRP CC(C)[C@@](C)(O)C[NH2+][C@H](C)c1ccc(OCC[NH+](C)C)cc1 ZINC000178114371 145505220 /nfs/dbraw/zinc/50/52/20/145505220.db2.gz CUDYHRCJGYGUDJ-QAPCUYQASA-N 2 0 308.466 2.685 20 0 DFADRP c1cc([C@@H]2OCC[C@H]2[NH2+]C2CCN(c3cc[nH+]cc3)CC2)ccn1 ZINC000628455383 400032718 /nfs/dbraw/zinc/03/27/18/400032718.db2.gz UMOLHYCDJCXSIU-MOPGFXCFSA-N 2 0 324.428 2.565 20 0 DFADRP C[C@H]([NH2+]CC1CC[NH+](Cc2ccccc2)CC1)c1cnn(C)c1 ZINC000178635010 145528524 /nfs/dbraw/zinc/52/85/24/145528524.db2.gz STKANVGQGYRLQM-INIZCTEOSA-N 2 0 312.461 2.983 20 0 DFADRP CN(C)c1c(C[N@H+](C)CC2CC[NH+](C)CC2)ccc(F)c1F ZINC000628163746 399994197 /nfs/dbraw/zinc/99/41/97/399994197.db2.gz QBRCJRITFMMBFP-UHFFFAOYSA-N 2 0 311.420 2.804 20 0 DFADRP Cc1ccc([C@@H](C)C[NH2+]CCCC[NH+]2CCN(C)CC2)cc1 ZINC000628202329 400000815 /nfs/dbraw/zinc/00/08/15/400000815.db2.gz PEPBSVBJFXZQOV-SFHVURJKSA-N 2 0 303.494 2.716 20 0 DFADRP Cc1nc(C)c(C[NH2+]CC2CCN(c3cc[nH+]cc3)CC2)o1 ZINC000628232214 400005128 /nfs/dbraw/zinc/00/51/28/400005128.db2.gz QFFNAJDVTGLBBB-UHFFFAOYSA-N 2 0 300.406 2.693 20 0 DFADRP Cc1ccc([C@@H](C)C[N@@H+]2CCOC3(CC[NH+](C)CC3)C2)cc1 ZINC000628323082 400020628 /nfs/dbraw/zinc/02/06/28/400020628.db2.gz YWQKWGZKNJFLAX-KRWDZBQOSA-N 2 0 302.462 2.895 20 0 DFADRP Cc1ccc([C@@H](C)C[NH+]2CCC([N@@H+]3CC[C@H](O)C3)CC2)cc1 ZINC000628352121 400025192 /nfs/dbraw/zinc/02/51/92/400025192.db2.gz XTCSJFJUNFOOFI-LPHOPBHVSA-N 2 0 302.462 2.630 20 0 DFADRP COc1ccc2c(c1)CC[C@H]2[NH2+]CCCC[N@@H+]1CCC[C@H]1CO ZINC000631582196 400054838 /nfs/dbraw/zinc/05/48/38/400054838.db2.gz YRCLAGFNIDQJBN-QFBILLFUSA-N 2 0 318.461 2.509 20 0 DFADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1CN[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000631661628 400063241 /nfs/dbraw/zinc/06/32/41/400063241.db2.gz AMRKBJGQDQGLIO-LCLWPZTBSA-N 2 0 315.505 2.827 20 0 DFADRP CCOC1CC([NH2+]C[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)C1 ZINC000631661644 400063259 /nfs/dbraw/zinc/06/32/59/400063259.db2.gz ARHBNIBJUYBVCI-SVUBNXHSSA-N 2 0 302.462 2.912 20 0 DFADRP COC[C@H]([NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C)C1CC1 ZINC000631665661 400064028 /nfs/dbraw/zinc/06/40/28/400064028.db2.gz XCSZGLROFBFRRJ-LZQZEXGQSA-N 2 0 302.462 2.769 20 0 DFADRP C[C@@H]([NH2+]C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1C)[C@H]1CCOC1 ZINC000631665302 400064165 /nfs/dbraw/zinc/06/41/65/400064165.db2.gz VEUUIGDUXBZNHE-FPAYPSAMSA-N 2 0 302.462 2.769 20 0 DFADRP OC[C@H]1C[C@@H]([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]3CCC[C@H]32)C1 ZINC000631673225 400065059 /nfs/dbraw/zinc/06/50/59/400065059.db2.gz RSCNSVMIJHYRPS-PXTPFGJHSA-N 2 0 314.473 2.790 20 0 DFADRP C[C@@H]([NH2+][C@H]1C[C@@H](C)O[C@H]1C)c1cccc(OCC[NH+](C)C)c1 ZINC000631700929 400068421 /nfs/dbraw/zinc/06/84/21/400068421.db2.gz LMCNHMOPDHFFGO-BSXFFOKHSA-N 2 0 306.450 2.844 20 0 DFADRP C[C@H]([NH2+][C@H]1C[C@@H](C)O[C@H]1C)c1cccc(OCC[NH+](C)C)c1 ZINC000631700933 400068434 /nfs/dbraw/zinc/06/84/34/400068434.db2.gz LMCNHMOPDHFFGO-LLDVTBCESA-N 2 0 306.450 2.844 20 0 DFADRP Cc1nccnc1C[N@@H+]1CCCC[C@@H]1[C@H](C[NH3+])Cc1ccccc1 ZINC000631824870 400077769 /nfs/dbraw/zinc/07/77/69/400077769.db2.gz SQCXKTPTKLYCJY-AZUAARDMSA-N 2 0 324.472 2.957 20 0 DFADRP [NH3+]C[C@@H]1C[N@H+](Cc2cccc3c2CCOC3)C[C@H]1c1ccccc1 ZINC000631825164 400077994 /nfs/dbraw/zinc/07/79/94/400077994.db2.gz AYKZBDMQQHGKCP-CTNGQTDRSA-N 2 0 322.452 2.934 20 0 DFADRP C(c1nc(C2CCC2)no1)[N@@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000631828934 400078154 /nfs/dbraw/zinc/07/81/54/400078154.db2.gz CECMTFNWWDXUAL-OAHLLOKOSA-N 2 0 304.438 2.549 20 0 DFADRP Cc1cc(C)c(C[NH+]2CCC([C@H]3OCCC[C@H]3[NH3+])CC2)c(C)n1 ZINC000631828324 400078210 /nfs/dbraw/zinc/07/82/10/400078210.db2.gz LPULEUUONVSMSC-RTBURBONSA-N 2 0 317.477 2.725 20 0 DFADRP C[C@@H]1C[N@H+](Cc2cccc(OCc3ccccn3)c2)C[C@@H]1C[NH3+] ZINC000631837003 400078764 /nfs/dbraw/zinc/07/87/64/400078764.db2.gz LJJUBDRVXBBWDO-WBVHZDCISA-N 2 0 311.429 2.687 20 0 DFADRP C[C@H]1C[N@H+](Cc2ccc(OCc3ccncc3)cc2)C[C@H]1C[NH3+] ZINC000631840902 400078851 /nfs/dbraw/zinc/07/88/51/400078851.db2.gz VZOBJEVXDROQAK-MAUKXSAKSA-N 2 0 311.429 2.687 20 0 DFADRP C[C@H]1C[N@H+](Cc2cccc(OCC(F)(F)F)c2)C[C@H]1C[NH3+] ZINC000631839826 400078966 /nfs/dbraw/zinc/07/89/66/400078966.db2.gz LKCSOFUDYNYBNN-WCQYABFASA-N 2 0 302.340 2.654 20 0 DFADRP C[C@H]1C[N@H+](Cc2ccc(OCC(F)(F)F)cc2)C[C@H]1C[NH3+] ZINC000631840042 400079037 /nfs/dbraw/zinc/07/90/37/400079037.db2.gz OVDPKKSGQUZIOI-WCQYABFASA-N 2 0 302.340 2.654 20 0 DFADRP C[C@@H]([NH2+]CCOCC[NH+](C)C)c1ccc(OC(F)F)cc1 ZINC000219323909 146000038 /nfs/dbraw/zinc/00/00/38/146000038.db2.gz YHIQQHRSRWLKPR-GFCCVEGCSA-N 2 0 302.365 2.517 20 0 DFADRP c1ccc(CN2CCC[C@@H]([NH2+]C[C@@H]3CC[N@@H+](C4CC4)C3)C2)cc1 ZINC000236586833 146021995 /nfs/dbraw/zinc/02/19/95/146021995.db2.gz KSPTZZXKXIIEJF-RBUKOAKNSA-N 2 0 313.489 2.725 20 0 DFADRP CCCC[C@@H]([NH3+])C(=O)NC[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000236767174 146025933 /nfs/dbraw/zinc/02/59/33/146025933.db2.gz IENWXJDYZRSTPP-QZTJIDSGSA-N 2 0 317.477 2.675 20 0 DFADRP CCN(CCCNC(=O)C1(C[NH3+])CCCC1)c1ccccc1 ZINC000236845462 146030148 /nfs/dbraw/zinc/03/01/48/146030148.db2.gz IRCSMURGHYMHQV-UHFFFAOYSA-N 2 0 303.450 2.538 20 0 DFADRP CC[C@@H](C)[C@@H]([NH3+])C(=O)NCc1ccccc1C[NH+]1CCCCC1 ZINC000236986095 146034305 /nfs/dbraw/zinc/03/43/05/146034305.db2.gz UAHOPXGORQZKTK-CRAIPNDOSA-N 2 0 317.477 2.662 20 0 DFADRP CCN(C(=O)CC(C)(C)[NH3+])[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000237033685 146034789 /nfs/dbraw/zinc/03/47/89/146034789.db2.gz KNYCDUDGIJDPEU-DOTOQJQBSA-N 2 0 317.477 2.798 20 0 DFADRP c1ccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@@H]([NH2+]C2CCOCC2)C3)cc1 ZINC000245642559 146090306 /nfs/dbraw/zinc/09/03/06/146090306.db2.gz BCFYZJOJULOLLZ-REPLKXPHSA-N 2 0 300.446 2.951 20 0 DFADRP CCC[C@@H](O)C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000245710384 146097090 /nfs/dbraw/zinc/09/70/90/146097090.db2.gz NDHVIYILBLJWHH-AKHDSKFASA-N 2 0 302.462 2.933 20 0 DFADRP CCC[C@H](C(=O)N1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1)[NH+](C)C ZINC000245791981 146103129 /nfs/dbraw/zinc/10/31/29/146103129.db2.gz NZKQYCIQSSWZJA-KZNAEPCWSA-N 2 0 323.525 2.830 20 0 DFADRP Cc1nccn1C[C@H]1CCCN1c1nc2cccc(F)c2n1C ZINC000443509338 543357896 /nfs/dbraw/zinc/35/78/96/543357896.db2.gz MRESEHNMNCOCSV-CYBMUJFWSA-N 2 0 313.380 2.886 20 0 DFADRP C[C@@H]1C[N@@H+](Cc2ccccc2C[NH2+][C@H]2CCSC2)C[C@H](C)O1 ZINC000247111977 146162562 /nfs/dbraw/zinc/16/25/62/146162562.db2.gz TVYVRQXPUMGAGP-DAYGRLMNSA-N 2 0 320.502 2.891 20 0 DFADRP COc1ccc(CCC[NH2+][C@@H]2C[C@H](C)[N@H+](C)C[C@@H]2C)cc1OC ZINC000247146954 146163352 /nfs/dbraw/zinc/16/33/52/146163352.db2.gz SQUOATIARKSAQX-YQQAZPJKSA-N 2 0 320.477 2.955 20 0 DFADRP C[NH+](C)[C@H](CNC1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1ccc(F)cc1 ZINC000249000283 146181419 /nfs/dbraw/zinc/18/14/19/146181419.db2.gz QGKJLSOVYJDHPW-HQSKLWIPSA-N 2 0 305.441 2.643 20 0 DFADRP C[C@@H]1C[C@@H](C)C[NH+](CCCC[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)C1 ZINC000249059346 146185398 /nfs/dbraw/zinc/18/53/98/146185398.db2.gz ZOIBFLBFJRAZJC-SCIMBWJRSA-N 2 0 307.526 2.959 20 0 DFADRP C[C@@H](C[N@H+](C)Cc1ccccc1)NC(=O)c1ccc2c(c1)C[NH2+]C2 ZINC000261543976 146237636 /nfs/dbraw/zinc/23/76/36/146237636.db2.gz DJKSYITUNZKNBK-HNNXBMFYSA-N 2 0 323.440 2.540 20 0 DFADRP c1ccc(C[N@H+]2CCCC[C@@H](CNC3CC[NH2+]CC3)C2)cc1 ZINC000261540528 146238331 /nfs/dbraw/zinc/23/83/31/146238331.db2.gz FAYFNAJKNMGYTD-SFHVURJKSA-N 2 0 301.478 2.630 20 0 DFADRP CC[N@H+](CC1CC[NH2+]CC1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000261549715 146239449 /nfs/dbraw/zinc/23/94/49/146239449.db2.gz PCFDUKGRRMXQLN-IBGZPJMESA-N 2 0 301.478 2.582 20 0 DFADRP [NH3+]C1CCC([NH2+][C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]23)CC1 ZINC000261552502 146239703 /nfs/dbraw/zinc/23/97/03/146239703.db2.gz RNXLMPRIRNDASO-AWUBQHKLSA-N 3 0 313.489 2.757 20 0 DFADRP CN(C[C@]1(C)CC[NH2+]C1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000261556869 146241141 /nfs/dbraw/zinc/24/11/41/146241141.db2.gz WKTDUAYPOWOTBJ-LJQANCHMSA-N 2 0 301.478 2.582 20 0 DFADRP Cc1oc(-c2cccs2)nc1CN1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000261601876 146243775 /nfs/dbraw/zinc/24/37/75/146243775.db2.gz BXMPCGUPIQRKBC-QWHCGFSZSA-N 2 0 303.431 2.753 20 0 DFADRP [NH3+][C@@H]1C[C@@H]([NH2+]C2CCN(c3ccccn3)CC2)c2ccccc21 ZINC000261613506 146247472 /nfs/dbraw/zinc/24/74/72/146247472.db2.gz BIZKJAFGXMJRRE-QZTJIDSGSA-N 2 0 308.429 2.785 20 0 DFADRP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ccnn3-c3ccc(F)cc3)C[C@@H]21 ZINC000261644303 146252666 /nfs/dbraw/zinc/25/26/66/146252666.db2.gz AMPCTJWVFBRSSZ-JEBQAFNWSA-N 2 0 314.408 2.571 20 0 DFADRP c1ccc2c(c1)OC[C@H](C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1)O2 ZINC000261655460 146255647 /nfs/dbraw/zinc/25/56/47/146255647.db2.gz FSXPECMHCAFIJO-VVLHAWIVSA-N 2 0 316.445 2.727 20 0 DFADRP CC[NH+](CC)CC1CCN(C(=O)C[C@H](C)[C@H]2CCC[NH2+]C2)CC1 ZINC000261674189 146258624 /nfs/dbraw/zinc/25/86/24/146258624.db2.gz HLPOUIXPRHQSNB-WMZOPIPTSA-N 2 0 323.525 2.593 20 0 DFADRP Cc1nn(-c2ccccc2)cc1C[N@@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000261684011 146259344 /nfs/dbraw/zinc/25/93/44/146259344.db2.gz ANBXHWAPQAGPKM-UHFFFAOYSA-N 2 0 310.445 2.756 20 0 DFADRP CCN(CC(=O)Nc1c(C)cccc1C)C[C@]1(C)CC[NH2+]C1 ZINC000261695421 146260839 /nfs/dbraw/zinc/26/08/39/146260839.db2.gz BFGNLRBPUHJGJP-GOSISDBHSA-N 2 0 303.450 2.563 20 0 DFADRP Cc1oc(-c2cccs2)nc1CN1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000261694540 146260942 /nfs/dbraw/zinc/26/09/42/146260942.db2.gz NOKSLLPBSHIWSL-RWMBFGLXSA-N 2 0 303.431 2.881 20 0 DFADRP CCc1ccc(NC(=O)C[NH+]2CCC([C@@H]3CCC[NH2+]3)CC2)cc1 ZINC000261733556 146268377 /nfs/dbraw/zinc/26/83/77/146268377.db2.gz NAPXZDRAXHWJBY-SFHVURJKSA-N 2 0 315.461 2.652 20 0 DFADRP O=C(C[C@H]1CCC[N@@H+]1C[C@@H]1CCC[NH2+]C1)c1ccc(F)cc1 ZINC000261751418 146271036 /nfs/dbraw/zinc/27/10/36/146271036.db2.gz CEQCDPYLOXJQDZ-RHSMWYFYSA-N 2 0 304.409 2.863 20 0 DFADRP [NH3+]C[C@@H]1C[N@H+](Cc2cccc3c[nH]nc32)C[C@H]1c1ccccc1 ZINC000261761396 146271929 /nfs/dbraw/zinc/27/19/29/146271929.db2.gz RFOFXZLZIMOUCG-MSOLQXFVSA-N 2 0 306.413 2.737 20 0 DFADRP Cc1ncsc1C[N@@H+](C[C@H]1CCSC1)C[C@H]1CC[NH2+]C1 ZINC000261773886 146274851 /nfs/dbraw/zinc/27/48/51/146274851.db2.gz DWMPHOOYHGCILN-UONOGXRCSA-N 2 0 311.520 2.616 20 0 DFADRP COc1ccc(CC2CC[NH+](C[C@]3(C)CC[NH2+]C3)CC2)cc1 ZINC000261776844 146274903 /nfs/dbraw/zinc/27/49/03/146274903.db2.gz NNXLJBYOTNEYDP-LJQANCHMSA-N 2 0 302.462 2.949 20 0 DFADRP [NH3+]C[C@@H]1C[N@H+](CCOc2ccc(F)cc2)C[C@H]1c1ccccc1 ZINC000261773929 146274981 /nfs/dbraw/zinc/27/49/81/146274981.db2.gz PAMIDCLFHHGTIZ-APWZRJJASA-N 2 0 314.404 2.879 20 0 DFADRP CC[NH+](CC)[C@H](CNC(=O)C[C@H](C)[NH3+])c1ccccc1Cl ZINC000261810559 146280014 /nfs/dbraw/zinc/28/00/14/146280014.db2.gz LVUBZDPBHCHNSD-SWLSCSKDSA-N 2 0 311.857 2.576 20 0 DFADRP CN1CCN(C(=O)C[C@H]([NH3+])c2ccccc2)[C@H](c2ccccc2)C1 ZINC000261808387 146280144 /nfs/dbraw/zinc/28/01/44/146280144.db2.gz GDKSBAVCXHACKN-OALUTQOASA-N 2 0 323.440 2.592 20 0 DFADRP CC[NH+](CC)[C@H](CNC(=O)C[C@@H](C)[NH3+])c1ccccc1Cl ZINC000261810553 146280679 /nfs/dbraw/zinc/28/06/79/146280679.db2.gz LVUBZDPBHCHNSD-IUODEOHRSA-N 2 0 311.857 2.576 20 0 DFADRP CCCOc1ccc(OCC[N@@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)cc1 ZINC000261816888 146281476 /nfs/dbraw/zinc/28/14/76/146281476.db2.gz GZBZZOFBMVFKEQ-ZYSHUDEJSA-N 2 0 318.461 2.913 20 0 DFADRP C[C@H]([NH3+])CC(=O)NCc1ccccc1C[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000261814183 146281751 /nfs/dbraw/zinc/28/17/51/146281751.db2.gz MALSKJNQHAACDZ-OAGGEKHMSA-N 2 0 317.477 2.518 20 0 DFADRP C[C@H]1CCC[C@](CNC(=O)c2ccc3c(c2)C[NH2+]C3)([NH+](C)C)C1 ZINC000261854638 146290198 /nfs/dbraw/zinc/29/01/98/146290198.db2.gz JVMJPUKWOHRHRV-LIRRHRJNSA-N 2 0 315.461 2.530 20 0 DFADRP c1ccc(C2(C[NH2+][C@@H]3CCC[C@@H]3[C@H]3COCCN3)CCC2)cc1 ZINC000261862333 146291003 /nfs/dbraw/zinc/29/10/03/146291003.db2.gz CEYGRSOGSROVJP-IPMKNSEASA-N 2 0 314.473 2.855 20 0 DFADRP c1ccc(C2(C[NH2+][C@@H]3CCC[C@@H]3[C@@H]3COCCN3)CCC2)cc1 ZINC000261862339 146291029 /nfs/dbraw/zinc/29/10/29/146291029.db2.gz CEYGRSOGSROVJP-OTWHNJEPSA-N 2 0 314.473 2.855 20 0 DFADRP CC[NH+](CC)CCN(CC(C)C)C(=O)CCC1CC[NH2+]CC1 ZINC000261920429 146301644 /nfs/dbraw/zinc/30/16/44/146301644.db2.gz HTBARXWEYLWANU-UHFFFAOYSA-N 2 0 311.514 2.593 20 0 DFADRP C[NH2+]CC1CC[NH+](Cc2ccc(C)cc2-c2ccnn2C)CC1 ZINC000261925376 146302833 /nfs/dbraw/zinc/30/28/33/146302833.db2.gz KYABLRLQRCTBIS-UHFFFAOYSA-N 2 0 312.461 2.827 20 0 DFADRP C[NH2+]CC1CC[NH+](Cc2cc(Cl)c3c(c2)OCCCO3)CC1 ZINC000261930292 146304185 /nfs/dbraw/zinc/30/41/85/146304185.db2.gz JLQYVIBKWPOCNQ-UHFFFAOYSA-N 2 0 324.852 2.933 20 0 DFADRP Cn1c2cc(Cl)ccc2nc1C[N@@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000261931356 146304561 /nfs/dbraw/zinc/30/45/61/146304561.db2.gz CTXBSHJFDVETNH-UHFFFAOYSA-N 2 0 318.852 2.802 20 0 DFADRP Cc1ccc(C[NH+]2CCC([C@H](C)[NH3+])CC2)c(-c2ccnn2C)c1 ZINC000261939520 146305572 /nfs/dbraw/zinc/30/55/72/146305572.db2.gz MMORTEROBHWHOB-HNNXBMFYSA-N 2 0 312.461 2.955 20 0 DFADRP C[NH2+]C[C@H]1CCCN(Cc2ccc(OC(F)F)c(OC)c2)C1 ZINC000261950903 146308325 /nfs/dbraw/zinc/30/83/25/146308325.db2.gz MXCTYGXOBSZMFD-CYBMUJFWSA-N 2 0 314.376 2.728 20 0 DFADRP CCC[N@H+](C[C@H]1COc2ccccc2O1)C[C@@]1(C)CC[NH2+]C1 ZINC000261970983 146311598 /nfs/dbraw/zinc/31/15/98/146311598.db2.gz IFINKKUAHXYQKJ-YJBOKZPZSA-N 2 0 304.434 2.538 20 0 DFADRP c1csc(C[N@@H+](CC[C@H]2CCOC2)[C@@H]2CC23CC[NH2+]CC3)n1 ZINC000261976566 146313841 /nfs/dbraw/zinc/31/38/41/146313841.db2.gz QWHCCWJNPUPOOI-LSDHHAIUSA-N 2 0 321.490 2.514 20 0 DFADRP C[NH2+]CCC1CC[NH+]([C@@H](C)c2nc(-c3cccnc3)no2)CC1 ZINC000261988491 146316856 /nfs/dbraw/zinc/31/68/56/146316856.db2.gz KYSRWYSYXWIULC-ZDUSSCGKSA-N 2 0 315.421 2.514 20 0 DFADRP C[C@H]([NH3+])C1CC[NH+](Cc2ccc(-c3cnn(C)c3)s2)CC1 ZINC000262000904 146320942 /nfs/dbraw/zinc/32/09/42/146320942.db2.gz UBYXWRISAFTJDJ-LBPRGKRZSA-N 2 0 304.463 2.708 20 0 DFADRP Fc1ccc(C[N@H+](C[C@H]2CCC[NH2+]C2)C2CCOCC2)cc1 ZINC000262018850 146324091 /nfs/dbraw/zinc/32/40/91/146324091.db2.gz VXBZSXHXFYUIEU-INIZCTEOSA-N 2 0 306.425 2.806 20 0 DFADRP COc1ccc(C[NH+]2CCC([C@H]3CCC[NH2+]3)CC2)c(OC)c1 ZINC000262033278 146325332 /nfs/dbraw/zinc/32/53/32/146325332.db2.gz ZDSDLGOSHKWIQD-QGZVFWFLSA-N 2 0 304.434 2.668 20 0 DFADRP C[C@H]1CCCC[N@@H+]1CCC1CC[NH+](C[C@@]2(C)CC[NH2+]C2)CC1 ZINC000262112467 146334349 /nfs/dbraw/zinc/33/43/49/146334349.db2.gz WQABEFSJJPMPGR-HKUYNNGSSA-N 3 0 307.526 2.963 20 0 DFADRP CC[NH+](CC)CCN(Cc1ccccc1)C[C@]1(C)CC[NH2+]C1 ZINC000262112390 146334982 /nfs/dbraw/zinc/33/49/82/146334982.db2.gz WOAYRVDYHGPQHS-LJQANCHMSA-N 2 0 303.494 2.830 20 0 DFADRP C[C@@H](C[C@H]1CCCCC[NH2+]1)[NH2+]Cc1ccc2c(c1)OCCO2 ZINC000262121545 146335736 /nfs/dbraw/zinc/33/57/36/146335736.db2.gz KTJZBXDXYHZRLV-GOEBONIOSA-N 2 0 304.434 2.858 20 0 DFADRP FC(F)(F)c1cc([C@H]2CCC[N@H+](CC3CC[NH2+]CC3)C2)[nH]n1 ZINC000262224167 146343777 /nfs/dbraw/zinc/34/37/77/146343777.db2.gz NAKPPRFUHLGERX-LBPRGKRZSA-N 2 0 316.371 2.608 20 0 DFADRP C[C@H]([NH2+]C(C)(C)CNC(=O)[C@H]1CCC[C@@H]([NH3+])C1)c1ccccc1 ZINC000262314883 146350001 /nfs/dbraw/zinc/35/00/01/146350001.db2.gz UAGVIAFIGMEPAQ-BHYGNILZSA-N 2 0 317.477 2.750 20 0 DFADRP C[NH2+]CCC(=O)Nc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000262401077 146356832 /nfs/dbraw/zinc/35/68/32/146356832.db2.gz PLRWMRVMSAHMMG-UHFFFAOYSA-N 2 0 303.450 2.999 20 0 DFADRP Fc1ccc(-c2nc(CN3CC[C@]4(CC[NH2+]C4)C3)co2)cc1 ZINC000262526184 146367796 /nfs/dbraw/zinc/36/77/96/146367796.db2.gz OXBIASZQIBLWPS-KRWDZBQOSA-N 2 0 301.365 2.666 20 0 DFADRP CCC[C@](C)([NH3+])C(=O)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000262698414 146383243 /nfs/dbraw/zinc/38/32/43/146383243.db2.gz FWHGPAMVHZLZLM-AEFFLSMTSA-N 2 0 309.498 2.619 20 0 DFADRP CCC[C@](C)([NH3+])C(=O)N1CCC[C@@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000262710870 146384092 /nfs/dbraw/zinc/38/40/92/146384092.db2.gz QLDJYTXYFFMQJZ-BQFCYCMXSA-N 2 0 309.498 2.617 20 0 DFADRP C[C@@H]1C[NH+](CCCC[NH2+]Cc2scnc2C2CC2)C[C@@H](C)O1 ZINC000486940867 543400222 /nfs/dbraw/zinc/40/02/22/543400222.db2.gz PPBLCTLYMJFXBM-ZIAGYGMSSA-N 2 0 323.506 3.000 20 0 DFADRP C[NH+]1CCN(CCC(C)(C)[NH2+]Cc2scnc2C2CC2)CC1 ZINC000487562883 543401977 /nfs/dbraw/zinc/40/19/77/543401977.db2.gz SVPNDBDOHSEDIC-UHFFFAOYSA-N 2 0 322.522 2.526 20 0 DFADRP C[C@@H](C(=O)Nc1ccc(Cl)cc1)[NH+]1CCC(C[NH+](C)C)CC1 ZINC000354377423 147013999 /nfs/dbraw/zinc/01/39/99/147013999.db2.gz BVNPWUSJILJCGU-ZDUSSCGKSA-N 2 0 323.868 2.941 20 0 DFADRP C[C@@H](C(=O)N[C@H]1CCC[C@@H](C)[C@@H]1C)[NH+]1CCC(C[NH+](C)C)CC1 ZINC000354451722 147042009 /nfs/dbraw/zinc/04/20/09/147042009.db2.gz GZQTUZWEJZDXCF-CVYDXHPNSA-N 2 0 323.525 2.589 20 0 DFADRP C[C@@H](C(=O)N[C@H]1CCC[C@@H](C)[C@H]1C)[NH+]1CCC(C[NH+](C)C)CC1 ZINC000354451719 147042016 /nfs/dbraw/zinc/04/20/16/147042016.db2.gz GZQTUZWEJZDXCF-CBZIJGRNSA-N 2 0 323.525 2.589 20 0 DFADRP CCOC[C@@H]1CCC[C@@H]1[NH2+]C1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000354452079 147043982 /nfs/dbraw/zinc/04/39/82/147043982.db2.gz BTBLFIJMYILZHF-DSLXNQLJSA-N 2 0 324.509 2.549 20 0 DFADRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+]C/C=C\c1ccc(F)cc1F ZINC000349833074 285951747 /nfs/dbraw/zinc/95/17/47/285951747.db2.gz YPGFNOWTLFWMKH-ABCZVMIZSA-N 2 0 323.431 2.594 20 0 DFADRP C[C@@H]1CCN(C(=O)CC[C@@H]2CCCC[N@@H+]2C)C[C@H]1n1ccnc1 ZINC000354791682 147152228 /nfs/dbraw/zinc/15/22/28/147152228.db2.gz IBJRBYORXGUOCO-IXDOHACOSA-N 2 0 318.465 2.557 20 0 DFADRP CCC[C@@H]([NH2+]C(C)C)C(=O)N(CC[NH+](C)C)Cc1ccc(C)o1 ZINC000354806145 147157915 /nfs/dbraw/zinc/15/79/15/147157915.db2.gz ZWVIRTVKSGSGIA-QGZVFWFLSA-N 2 0 323.481 2.645 20 0 DFADRP C[C@H]([NH2+]C[C@H]1CC[N@H+](Cc2ccccc2)C1)[C@H]1CCCOC1 ZINC000355228728 147232126 /nfs/dbraw/zinc/23/21/26/147232126.db2.gz WQNOYJZORHUGQJ-UHOSZYNNSA-N 2 0 302.462 2.913 20 0 DFADRP CO[C@H](C[N@@H+]1C[C@@H]2C[NH+]3CCCC[C@@H]3[C@H]2C1)c1ccccc1 ZINC000374777936 286004630 /nfs/dbraw/zinc/00/46/30/286004630.db2.gz NUXMPRMFQKGVRY-FCGDIQPGSA-N 2 0 300.446 2.790 20 0 DFADRP C[C@@H](C(=O)NCC1([NH+](C)C)CCCCC1)[NH+]1CCCCCC1 ZINC000357720715 148095124 /nfs/dbraw/zinc/09/51/24/148095124.db2.gz HVYTYMIQOZIXFA-INIZCTEOSA-N 2 0 309.498 2.632 20 0 DFADRP C[C@@H](C(=O)NCCC[N@H+]1C[C@H](C)C[C@H](C)C1)[NH+]1CCCCCC1 ZINC000357807249 148130704 /nfs/dbraw/zinc/13/07/04/148130704.db2.gz BVGYQPUGFDANGG-KSZLIROESA-N 2 0 323.525 2.735 20 0 DFADRP CC(C)[NH+]1CCC(N(C)C(=O)[C@H](C)[NH+]2CCCCCC2)CC1 ZINC000357824783 148138987 /nfs/dbraw/zinc/13/89/87/148138987.db2.gz KJLQFBFYPDQONI-INIZCTEOSA-N 2 0 309.498 2.582 20 0 DFADRP CCC[C@H](C(=O)N[C@H](C)[C@H](c1ccccc1C)[NH+](C)C)[NH+](C)C ZINC000357853615 148150348 /nfs/dbraw/zinc/15/03/48/148150348.db2.gz CBYABDOPSWIPTI-KBAYOESNSA-N 2 0 319.493 2.833 20 0 DFADRP C[C@@H](C(=O)N(CC[NH+](C)C)c1ccccc1)[NH+]1CCCCCC1 ZINC000357940630 148183927 /nfs/dbraw/zinc/18/39/27/148183927.db2.gz ULPVJTKFZJFRGL-KRWDZBQOSA-N 2 0 317.477 2.846 20 0 DFADRP CC[C@H](CC(F)(F)F)[NH2+]Cc1cc(C2CC[NH2+]CC2)no1 ZINC000425898030 296603191 /nfs/dbraw/zinc/60/31/91/296603191.db2.gz XJWMSGVHDJWARS-LLVKDONJSA-N 2 0 305.344 2.962 20 0 DFADRP CS[C@H]1CCC[C@H]([NH2+]Cc2cc(C3CC[NH2+]CC3)no2)C1 ZINC000425901902 296603649 /nfs/dbraw/zinc/60/36/49/296603649.db2.gz REDZPMRPBQKJKU-ZFWWWQNUSA-N 2 0 309.479 2.905 20 0 DFADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]CCc2ccc(O)cc2)[C@@H](C)C1 ZINC000358103471 148244980 /nfs/dbraw/zinc/24/49/80/148244980.db2.gz WTYYYQVGBMHDMV-LPHOPBHVSA-N 2 0 320.477 2.661 20 0 DFADRP C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)c2ccc(C[NH3+])cc2)C1 ZINC000358133767 148256591 /nfs/dbraw/zinc/25/65/91/148256591.db2.gz QRMRJJNTLJPRNV-HNAYVOBHSA-N 2 0 323.440 2.711 20 0 DFADRP Cc1[nH+]ccc(N2CCC([N@H+]3CCO[C@@H](C)C3)CC2)c1Cl ZINC000350344510 286030547 /nfs/dbraw/zinc/03/05/47/286030547.db2.gz ZOWKBSIKAXFICB-LBPRGKRZSA-N 2 0 309.841 2.733 20 0 DFADRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H]2CCOC(C)(C)C2)[C@H](C)C1 ZINC000358251509 286064336 /nfs/dbraw/zinc/06/43/36/286064336.db2.gz MONYVZFUBRDOCK-ZACQAIPSSA-N 2 0 312.498 2.671 20 0 DFADRP CCN1CC[C@H]([NH+]2CCC(CC[N@@H+]3CCCC[C@H]3C)CC2)C1=O ZINC000660006767 543524047 /nfs/dbraw/zinc/52/40/47/543524047.db2.gz UHQIBKXAWHBGRW-AEFFLSMTSA-N 2 0 321.509 2.584 20 0 DFADRP CC[N@@H+](Cc1ccccc1N1CC[NH+](CC)CC1)C[C@@H](C)OC ZINC000361018335 149008623 /nfs/dbraw/zinc/00/86/23/149008623.db2.gz RWHUFMLOFCPWBP-QGZVFWFLSA-N 2 0 319.493 2.685 20 0 DFADRP C[C@@H]([NH2+][C@H]1CCN(C2CC2)C1)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000361068892 149022063 /nfs/dbraw/zinc/02/20/63/149022063.db2.gz MZWZIAKESQNPGO-OCCSQVGLSA-N 2 0 313.445 2.804 20 0 DFADRP C[C@H]1C[N@H+](CCCc2ccsc2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000361096646 149027365 /nfs/dbraw/zinc/02/73/65/149027365.db2.gz MHNKWSDSZBXPBZ-FUHWJXTLSA-N 2 0 321.534 2.639 20 0 DFADRP Cc1ccc([C@@H](CNC(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)[NH+](C)C)cc1 ZINC000355410021 292199085 /nfs/dbraw/zinc/19/90/85/292199085.db2.gz NSGIPTZSGGFIIN-SOLBZPMBSA-N 2 0 317.477 2.587 20 0 DFADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1N(C)Cc1cncnc1 ZINC000361153395 149040770 /nfs/dbraw/zinc/04/07/70/149040770.db2.gz IUGVPBISVALSHR-VQIMIIECSA-N 2 0 310.445 2.819 20 0 DFADRP CCOc1ccccc1[C@H](C)[NH2+]CCCC[N@@H+]1CCC[C@H]1CO ZINC000361345149 149091641 /nfs/dbraw/zinc/09/16/41/149091641.db2.gz HPZIWGBLOYHOPK-IRXDYDNUSA-N 2 0 320.477 2.973 20 0 DFADRP CC(C)(CNC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1)C[NH+]1CCCC1 ZINC000361384488 149101010 /nfs/dbraw/zinc/10/10/10/149101010.db2.gz KRZZGXRIQTVBNQ-KRWDZBQOSA-N 2 0 321.509 2.632 20 0 DFADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@]1(C)CCOC1 ZINC000361398394 149104629 /nfs/dbraw/zinc/10/46/29/149104629.db2.gz SZSGDEUAGUIOEZ-NEWSRXKRSA-N 2 0 302.462 2.913 20 0 DFADRP C[N@@H+]1CCC[C@@H](N2CCN(CCc3ccccc3Cl)CC2)C1 ZINC000361525675 149139514 /nfs/dbraw/zinc/13/95/14/149139514.db2.gz RYGOUTHZMZSMAT-QGZVFWFLSA-N 2 0 321.896 2.594 20 0 DFADRP C[C@H]1CCCC[N@@H+]1Cc1ccc(NC(=O)[C@@]2(F)CC[NH2+]C2)cc1 ZINC000361719442 149200845 /nfs/dbraw/zinc/20/08/45/149200845.db2.gz SYNLSYIDGTVYJV-KBXCAEBGSA-N 2 0 319.424 2.701 20 0 DFADRP CCC[C@](C)([NH3+])C(=O)NC1CC[NH+](Cc2cccc(C)c2)CC1 ZINC000361717836 149200966 /nfs/dbraw/zinc/20/09/66/149200966.db2.gz JAFPDRRYACJMOQ-IBGZPJMESA-N 2 0 317.477 2.593 20 0 DFADRP CCSc1ccccc1[C@@H](C)[NH2+]CC1(O)CC[NH+](C)CC1 ZINC000361878076 149243829 /nfs/dbraw/zinc/24/38/29/149243829.db2.gz XHIKRQRQQFUJPA-CQSZACIVSA-N 2 0 308.491 2.906 20 0 DFADRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H]2CC[C@@H]2SC)[C@H](C)C1 ZINC000361937498 149260510 /nfs/dbraw/zinc/26/05/10/149260510.db2.gz IUBDHZNIFPFROL-QXSJWSMHSA-N 2 0 300.512 2.607 20 0 DFADRP C[NH+](C)[C@@H]1CCC[C@H]([NH2+]C2CCN(Cc3ccccn3)CC2)C1 ZINC000361966633 149266995 /nfs/dbraw/zinc/26/69/95/149266995.db2.gz NPNMYKKNFXNQRL-PKOBYXMFSA-N 2 0 316.493 2.508 20 0 DFADRP C[C@H]([NH2+]C1CCC(CO)CC1)c1ccc(OCC[NH+](C)C)cc1 ZINC000361980863 149270753 /nfs/dbraw/zinc/27/07/53/149270753.db2.gz MMHPGVMYPWWOBN-HJOIGYKYSA-N 2 0 320.477 2.829 20 0 DFADRP CN(Cc1c[nH]cn1)C(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C ZINC000667197035 543564282 /nfs/dbraw/zinc/56/42/82/543564282.db2.gz KBAWHBLYPLCABL-MRXNPFEDSA-N 2 0 313.405 2.623 20 0 DFADRP CCC(CC)(C[NH3+])C(=O)Nc1cc(C[NH3+])cc(C(F)(F)F)c1 ZINC000362592168 149318394 /nfs/dbraw/zinc/31/83/94/149318394.db2.gz SKBFOSYZHOUQBI-UHFFFAOYSA-N 2 0 317.355 2.868 20 0 DFADRP Cn1c2ccccc2nc1CC[N@@H+]1C[C@@H]2C[NH+]3CCCC[C@@H]3[C@@H]2C1 ZINC000362925273 149398806 /nfs/dbraw/zinc/39/88/06/149398806.db2.gz HMQPRLXOUWJQNJ-JFIYKMOQSA-N 2 0 324.472 2.532 20 0 DFADRP Cn1nccc1[C@H]1CCC[C@H]([NH2+]CCCC[NH+]2CCCC2)C1 ZINC000366748429 149487312 /nfs/dbraw/zinc/48/73/12/149487312.db2.gz NAQASJQNPPQHID-IRXDYDNUSA-N 2 0 304.482 2.912 20 0 DFADRP [NH3+][C@@H]1CC[C@H]2C[N@H+](CCOc3ccc(C(F)(F)F)cc3)C[C@H]12 ZINC000351482074 286131640 /nfs/dbraw/zinc/13/16/40/286131640.db2.gz YOLREOCMDOQHMQ-TUKIKUTGSA-N 2 0 314.351 2.753 20 0 DFADRP [NH3+][C@@H]1CC[C@H]2C[N@H+](CCC(=O)Nc3cccc4ccccc43)C[C@@H]12 ZINC000351488188 286133273 /nfs/dbraw/zinc/13/32/73/286133273.db2.gz DZSMKCVXPUSOQI-CGTJXYLNSA-N 2 0 323.440 2.838 20 0 DFADRP CC[NH+](CC)CCCCNC(=O)C1(C[NH+](C)C)CCCCC1 ZINC000426447993 296627872 /nfs/dbraw/zinc/62/78/72/296627872.db2.gz DMMDPZIIQSAFCN-UHFFFAOYSA-N 2 0 311.514 2.737 20 0 DFADRP C[NH+]1CCC(CCO)(NCc2cc3cc(F)ccc3o2)CC1 ZINC000351502150 286137443 /nfs/dbraw/zinc/13/74/43/286137443.db2.gz KDZOIZSMZCLDNA-UHFFFAOYSA-N 2 0 306.381 2.508 20 0 DFADRP CC[C@H]([NH2+][C@@H]1CCN(C2CC[NH+](C)CC2)C1)c1cccs1 ZINC000370633504 149958654 /nfs/dbraw/zinc/95/86/54/149958654.db2.gz HHQRNGNBQPBDIN-ZBFHGGJFSA-N 2 0 307.507 2.957 20 0 DFADRP C[C@@H]([NH2+][C@H]1CCN(C2CC[NH+](C)CC2)C1)c1ccc(F)cc1 ZINC000370637267 149958889 /nfs/dbraw/zinc/95/88/89/149958889.db2.gz UIVILDKNYXUMEA-PBHICJAKSA-N 2 0 305.441 2.645 20 0 DFADRP Cc1ccccc1OCC[N@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@H]21 ZINC000371295682 150017951 /nfs/dbraw/zinc/01/79/51/150017951.db2.gz UHWSJEPUDPKHRE-YQVWRLOYSA-N 2 0 318.461 2.557 20 0 DFADRP Cc1cccc2ncc(CN3C[C@@H]4C[N@@H+]5CCCC[C@@H]5[C@H]4C3)n21 ZINC000371403591 150040658 /nfs/dbraw/zinc/04/06/58/150040658.db2.gz VCHSEMCEHFEZCN-BPQIPLTHSA-N 2 0 310.445 2.559 20 0 DFADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1[NH2+]Cc1ccccc1-c1cnn(C)c1 ZINC000371429743 150045610 /nfs/dbraw/zinc/04/56/10/150045610.db2.gz GUVMATOHMMMWRI-VCBZYWHSSA-N 2 0 312.461 2.905 20 0 DFADRP CC[N@@H+]1CC[C@H]([NH2+]Cc2ccccc2-c2cnn(C)c2)[C@H](C)C1 ZINC000371433547 150046443 /nfs/dbraw/zinc/04/64/43/150046443.db2.gz XIBVSJJPJMRHGC-BEFAXECRSA-N 2 0 312.461 2.907 20 0 DFADRP Cc1noc(C2CCC([NH2+][C@@H]3C[C@@H](C)[N@@H+](C)C[C@@H]3C)CC2)n1 ZINC000371449887 150049544 /nfs/dbraw/zinc/04/95/44/150049544.db2.gz IWGOJKXJONLRDQ-CAAYCTOESA-N 2 0 306.454 2.723 20 0 DFADRP C[C@@H](CCc1ccc2c(c1)OCO2)[NH2+][C@@H]1CCc2nccn2C1 ZINC000371479148 150053188 /nfs/dbraw/zinc/05/31/88/150053188.db2.gz DLKYDGVZAYDPMO-DZGCQCFKSA-N 2 0 313.401 2.538 20 0 DFADRP Cc1nn(C)c(C)c1C[NH2+]C[C@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000371723984 150086342 /nfs/dbraw/zinc/08/63/42/150086342.db2.gz OMNIVFAGCGRWOS-IEBWSBKVSA-N 2 0 312.461 2.820 20 0 DFADRP CSC[C@H](O)C[N@H+](C)[C@@H]1CCN(Cc2ccccc2)C[C@@H]1C ZINC000372303470 150160046 /nfs/dbraw/zinc/16/00/46/150160046.db2.gz XVEATERSRSGBRB-CGTJXYLNSA-N 2 0 322.518 2.553 20 0 DFADRP C[N@@H+]1CCCC[C@H]1CC[NH+]1CCC[C@@H](CNC(=O)C(C)(C)C)C1 ZINC000351599265 286165086 /nfs/dbraw/zinc/16/50/86/286165086.db2.gz WISHUMDULWFQOW-IRXDYDNUSA-N 2 0 323.525 2.735 20 0 DFADRP C[NH+](C)CC1CCN(Cc2nc(-c3ccccc3F)no2)CC1 ZINC000372882156 150196039 /nfs/dbraw/zinc/19/60/39/150196039.db2.gz ZPDUHBYHTNFPDJ-UHFFFAOYSA-N 2 0 318.396 2.649 20 0 DFADRP COC(C[NH+]1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1)OC ZINC000372902964 150199389 /nfs/dbraw/zinc/19/93/89/150199389.db2.gz JPDOGYOXAMKDPB-UHFFFAOYSA-N 2 0 318.461 2.593 20 0 DFADRP C[N@H+](CCC[NH+]1CCCCC1)C1CCN(c2ccccn2)CC1 ZINC000372905572 150199581 /nfs/dbraw/zinc/19/95/81/150199581.db2.gz XHQAKEQKAQYFSK-UHFFFAOYSA-N 2 0 316.493 2.858 20 0 DFADRP CC[NH+]1CCN([C@H]2CC[N@H+](Cc3ccc(C)cc3Cl)C2)CC1 ZINC000373149577 150238254 /nfs/dbraw/zinc/23/82/54/150238254.db2.gz GXKNFSHMBQSRFI-KRWDZBQOSA-N 2 0 321.896 2.860 20 0 DFADRP C[C@@H]1CN(C/C=C/c2ccccc2)CC[N@@H+]1C1CCN(C)CC1 ZINC000373175868 150241617 /nfs/dbraw/zinc/24/16/17/150241617.db2.gz IWMWECCTRKOCJI-AHKGRUIUSA-N 2 0 313.489 2.800 20 0 DFADRP c1cnn(CC[N@@H+]2CC[C@@]3(C2)CCC[NH+](Cc2ccccc2)C3)c1 ZINC000374052727 150299523 /nfs/dbraw/zinc/29/95/23/150299523.db2.gz FIWJPJZEBQNVJA-HXUWFJFHSA-N 2 0 324.472 2.871 20 0 DFADRP C[NH+]1CCC2(CCC[N@H+](C[C@H](O)c3ccccc3F)C2)CC1 ZINC000374074464 150303408 /nfs/dbraw/zinc/30/34/08/150303408.db2.gz KTIJHJGNUHJCIG-KRWDZBQOSA-N 2 0 306.425 2.667 20 0 DFADRP C[C@@H](C(=O)Nc1ccccc1)[N@@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000374162361 150314833 /nfs/dbraw/zinc/31/48/33/150314833.db2.gz NSDMCVQPNDTOTO-INIZCTEOSA-N 2 0 315.461 2.821 20 0 DFADRP C[N@H+](CCNC(=O)CC[C@H]1CCCC[NH+]1C)C1CCCCC1 ZINC000351636593 286177455 /nfs/dbraw/zinc/17/74/55/286177455.db2.gz PMRLEIVSHNWONP-QGZVFWFLSA-N 2 0 309.498 2.632 20 0 DFADRP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@@H+]2CCCc1ccccc1 ZINC000374418694 150363518 /nfs/dbraw/zinc/36/35/18/150363518.db2.gz FEABBONCHDAYOS-QYZOEREBSA-N 2 0 302.462 2.803 20 0 DFADRP Cn1nccc1[C@@H]1CCC[C@@H]([NH2+]CCC2CC[NH+](C)CC2)C1 ZINC000376081612 150527406 /nfs/dbraw/zinc/52/74/06/150527406.db2.gz MKFFFZGSVITRKD-IAGOWNOFSA-N 2 0 304.482 2.768 20 0 DFADRP CCO[C@@H](CC[NH+](C)C)C[NH2+][C@H](C)c1ccccc1N(C)C ZINC000093946828 286198580 /nfs/dbraw/zinc/19/85/80/286198580.db2.gz VRUMOYJUZJYGME-CVEARBPZSA-N 2 0 307.482 2.760 20 0 DFADRP Cc1sccc1C[N@@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000351699659 286197243 /nfs/dbraw/zinc/19/72/43/286197243.db2.gz CJJARDYLIWRLMI-YOEHRIQHSA-N 2 0 307.507 2.514 20 0 DFADRP CCOC(=O)C1(C[NH2+]C2CC[NH+]([C@H]3CCCC[C@H]3C)CC2)CC1 ZINC000351915579 286243477 /nfs/dbraw/zinc/24/34/77/286243477.db2.gz OYWRRXGUZXPWIZ-WBVHZDCISA-N 2 0 322.493 2.962 20 0 DFADRP CCn1nc(CN(C)C2CC[NH+](CC)CC2)c2ccccc21 ZINC000351996158 286264924 /nfs/dbraw/zinc/26/49/24/286264924.db2.gz MXEKNYWYPDUYCB-UHFFFAOYSA-N 2 0 300.450 2.972 20 0 DFADRP CCO[C@@H]1C[C@@H]([NH2+]C2CC[NH+](C(C)(C)C)CC2)[C@@]12CCCO2 ZINC000361018347 286277648 /nfs/dbraw/zinc/27/76/48/286277648.db2.gz LWUSAFBYDBRYQG-NUJGCVRESA-N 2 0 310.482 2.566 20 0 DFADRP CCC[C@H]([NH2+]C(C)C)C(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000352051815 286280332 /nfs/dbraw/zinc/28/03/32/286280332.db2.gz FNZRZHUYSGICKJ-RYQLBKOJSA-N 2 0 321.509 2.628 20 0 DFADRP CCC[C@@H]([NH2+]C(C)C)C(=O)NCCCC[N@@H+]1CCCC[C@@H]1C ZINC000352155180 286307050 /nfs/dbraw/zinc/30/70/50/286307050.db2.gz CTOOJBAQAHXNJE-DLBZAZTESA-N 2 0 311.514 2.924 20 0 DFADRP Cn1nccc1-c1ccccc1C[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000352142248 286302850 /nfs/dbraw/zinc/30/28/50/286302850.db2.gz IMQMBXWKRSPDCV-SJORKVTESA-N 2 0 310.445 2.804 20 0 DFADRP Cn1nccc1-c1ccccc1C[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000352142246 286302990 /nfs/dbraw/zinc/30/29/90/286302990.db2.gz IMQMBXWKRSPDCV-IRXDYDNUSA-N 2 0 310.445 2.804 20 0 DFADRP CCC[C@@H]([NH2+]C(C)C)C(=O)N1CC[NH+](CCC(C)(C)C)CC1 ZINC000352149493 286305004 /nfs/dbraw/zinc/30/50/04/286305004.db2.gz PQSBMVZEXBHGAP-MRXNPFEDSA-N 2 0 311.514 2.734 20 0 DFADRP CCC[C@@H]([NH2+]C(C)C)C(=O)NCCCC[N@@H+]1CCC[C@@H](C)C1 ZINC000352173313 286311953 /nfs/dbraw/zinc/31/19/53/286311953.db2.gz ZVXCNPPWVUXLIG-IAGOWNOFSA-N 2 0 311.514 2.781 20 0 DFADRP CCC[C@H]([NH2+]C(C)C)C(=O)NC[C@@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC000352219704 286321149 /nfs/dbraw/zinc/32/11/49/286321149.db2.gz RPFXLVBYIUEHEI-SOLBZPMBSA-N 2 0 311.514 2.780 20 0 DFADRP CCC[N@@H+]1CCC[C@H]1C(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000352380638 286358680 /nfs/dbraw/zinc/35/86/80/286358680.db2.gz KHLICOXZVPUQAG-SFHVURJKSA-N 2 0 321.509 2.774 20 0 DFADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000352380637 286358769 /nfs/dbraw/zinc/35/87/69/286358769.db2.gz KHLICOXZVPUQAG-GOSISDBHSA-N 2 0 321.509 2.774 20 0 DFADRP CCCC[N@H+](C)CCNC(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000352451932 286377737 /nfs/dbraw/zinc/37/77/37/286377737.db2.gz ZLMUFTLRIIBSDK-UHFFFAOYSA-N 2 0 306.454 2.602 20 0 DFADRP CC(=O)Nc1cccc(C[N@H+](CCC[NH3+])CC2CCCC2)c1 ZINC000352495460 286388419 /nfs/dbraw/zinc/38/84/19/286388419.db2.gz LTVWAUBXXYVWPZ-UHFFFAOYSA-N 2 0 303.450 2.986 20 0 DFADRP CCO[C@@H]1C[C@H]([NH2+]CCCC[N@@H+]2CCC[C@@H]2CO)C12CCCC2 ZINC000181733571 286385460 /nfs/dbraw/zinc/38/54/60/286385460.db2.gz PSLZIINEUDTFMR-FGTMMUONSA-N 2 0 324.509 2.551 20 0 DFADRP CCc1ccc(C[NH2+]CCCC[NH+]2C[C@H](C)O[C@@H](C)C2)cn1 ZINC000352756156 286458949 /nfs/dbraw/zinc/45/89/49/286458949.db2.gz OLYMGXDHVDAREU-HOTGVXAUSA-N 2 0 305.466 2.623 20 0 DFADRP CCc1ncc(C[NH+]2CCC(CC[NH+]3CCOCC3)CC2)s1 ZINC000352876772 286491426 /nfs/dbraw/zinc/49/14/26/286491426.db2.gz OWPZQRGJNYYMAZ-UHFFFAOYSA-N 2 0 323.506 2.640 20 0 DFADRP CC(C)c1ccc([C@H]([NH3+])CNC(=O)C[NH+]2[C@H](C)CC[C@H]2C)cc1 ZINC000428914604 296720971 /nfs/dbraw/zinc/72/09/71/296720971.db2.gz GAZMNYPZWJKPCV-IIDMSEBBSA-N 2 0 317.477 2.799 20 0 DFADRP C[C@@H]([NH2+]C[C@@H](O)C[NH+]1CCC(C)CC1)C1CCC(F)(F)CC1 ZINC000353315263 286610180 /nfs/dbraw/zinc/61/01/80/286610180.db2.gz PCOJXASWGSQQAW-GDBMZVCRSA-N 2 0 318.452 2.883 20 0 DFADRP C[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+][C@@H](CO)CC(F)F)CC1 ZINC000429470203 296746333 /nfs/dbraw/zinc/74/63/33/296746333.db2.gz MMPKRFPEYMQAKC-YUELXQCFSA-N 2 0 304.425 2.635 20 0 DFADRP C[C@H]([NH2+]CCCN1CC[NH+](C)CC1)c1nccc2ccccc21 ZINC000353380892 286629915 /nfs/dbraw/zinc/62/99/15/286629915.db2.gz CVEMVIPFRBXCRI-INIZCTEOSA-N 2 0 312.461 2.523 20 0 DFADRP CC(C)Cn1cc(CN2CCC[C@H]([NH+]3CCCC3)CC2)cn1 ZINC000183344419 158016143 /nfs/dbraw/zinc/01/61/43/158016143.db2.gz PURNWODZGKUCLV-SFHVURJKSA-N 2 0 304.482 2.989 20 0 DFADRP CC[N@@H+]1CC[C@@H]([NH2+]CCc2nc3c(cccc3F)n2C)[C@@H](C)C1 ZINC000246577994 158095611 /nfs/dbraw/zinc/09/56/11/158095611.db2.gz YKMWETCHGFRWJE-DZGCQCFKSA-N 2 0 318.440 2.575 20 0 DFADRP CC(=O)Oc1ccc(C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)cc1 ZINC000247329403 158130464 /nfs/dbraw/zinc/13/04/64/158130464.db2.gz WTPUJORLTWSHOP-WMZOPIPTSA-N 2 0 302.418 2.528 20 0 DFADRP C[C@H](C(=O)N1CCC(C[NH+]2CCCC2)CC1)[NH+]1[C@H](C)CC[C@H]1C ZINC000247427844 158135343 /nfs/dbraw/zinc/13/53/43/158135343.db2.gz LPOJTNOMVSLQFH-BRWVUGGUSA-N 2 0 321.509 2.582 20 0 DFADRP C[C@H](c1nnc(-c2ccccc2)o1)N1CC[C@@H](C[NH+](C)C)C1 ZINC000247476694 158139636 /nfs/dbraw/zinc/13/96/36/158139636.db2.gz SFVVBGHGELVHDN-KGLIPLIRSA-N 2 0 300.406 2.681 20 0 DFADRP COc1ccc(C)cc1[C@H](C)[NH2+]CCCC[N@@H+]1CCC[C@H]1CO ZINC000247931355 158152364 /nfs/dbraw/zinc/15/23/64/158152364.db2.gz CBWAOHHNBRUWBZ-IRXDYDNUSA-N 2 0 320.477 2.891 20 0 DFADRP CCN1CCC[C@@H]1C[NH2+][C@H](C)c1cccc(OCC[NH+](C)C)c1 ZINC000248048235 158158757 /nfs/dbraw/zinc/15/87/57/158158757.db2.gz VTZVEAVGPPRMNG-SJLPKXTDSA-N 2 0 319.493 2.762 20 0 DFADRP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@H]1c2cccc(F)c2CC[C@@H]1C ZINC000248171570 158163072 /nfs/dbraw/zinc/16/30/72/158163072.db2.gz UWTVWBYPGFIKMO-QMTMVMCOSA-N 2 0 319.468 2.675 20 0 DFADRP C[C@H]([NH2+]Cc1ccccc1C[N@@H+]1CC[C@@H](O)C1)C1CCCC1 ZINC000248463186 158178903 /nfs/dbraw/zinc/17/89/03/158178903.db2.gz YSBSZJQPUZGYJH-HNAYVOBHSA-N 2 0 302.462 2.922 20 0 DFADRP OCCCCC[NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]12 ZINC000248751047 158200619 /nfs/dbraw/zinc/20/06/19/158200619.db2.gz OMBFXQFRLQQCBP-CEXWTWQISA-N 2 0 302.462 2.649 20 0 DFADRP CC[NH+]1CCN([C@@H](C)CNc2cc(C)[nH+]c3ccccc23)CC1 ZINC000301563928 158219967 /nfs/dbraw/zinc/21/99/67/158219967.db2.gz YPRLMOIXCJGLCC-INIZCTEOSA-N 2 0 312.461 2.981 20 0 DFADRP CCC[N@@H+]1CCC[C@H]1C(=O)NCC[NH+]1CC=C(C(C)(C)C)CC1 ZINC000354916408 158243731 /nfs/dbraw/zinc/24/37/31/158243731.db2.gz SNCUJXRHNMMIFC-KRWDZBQOSA-N 2 0 321.509 2.655 20 0 DFADRP CC(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)CC[C@@H]1CCCC[NH+]1C ZINC000355101962 158274053 /nfs/dbraw/zinc/27/40/53/158274053.db2.gz IJTSPRIWGRHPLT-ZWKOTPCHSA-N 2 0 323.525 2.878 20 0 DFADRP CC(C)C[N@@H+]1CCCC[C@H]1CNC(=O)CC[C@H]1CCCC[NH+]1C ZINC000355101935 158274341 /nfs/dbraw/zinc/27/43/41/158274341.db2.gz IJTSPRIWGRHPLT-MSOLQXFVSA-N 2 0 323.525 2.878 20 0 DFADRP CCCN(CC[NH+]1CCCCCC1)C(=O)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000356641584 158304821 /nfs/dbraw/zinc/30/48/21/158304821.db2.gz ITAXFRNFZWZFER-QZTJIDSGSA-N 2 0 323.525 2.831 20 0 DFADRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H](C)[C@H]2CCCOC2)[C@H](C)C1 ZINC000356846023 158314207 /nfs/dbraw/zinc/31/42/07/158314207.db2.gz IZQACEMONWMCQD-BDXSIMOUSA-N 2 0 312.498 2.528 20 0 DFADRP C[N@H+](CCC1CCN(c2cc[nH+]cc2)CC1)CC1(C)COC1 ZINC000357035969 158353575 /nfs/dbraw/zinc/35/35/75/158353575.db2.gz JKZGHKDJPDJGQW-UHFFFAOYSA-N 2 0 303.450 2.656 20 0 DFADRP COc1cccc(CN2CC[C@H]3C[NH2+]C[C@@H]3C2)c1OC(C)C ZINC000357053427 158357036 /nfs/dbraw/zinc/35/70/36/158357036.db2.gz OTFZTHTZFNEUDT-GOEBONIOSA-N 2 0 304.434 2.524 20 0 DFADRP COCCOc1ccccc1C[NH+]1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000357061045 158359361 /nfs/dbraw/zinc/35/93/61/158359361.db2.gz ZBKJZABAMSYIAQ-QGZVFWFLSA-N 2 0 318.461 2.533 20 0 DFADRP Cn1cc(C[NH+]2CCC([C@H]3CC[NH2+]C3)CC2)c(-c2ccccc2)n1 ZINC000357061205 158359464 /nfs/dbraw/zinc/35/94/64/158359464.db2.gz ZRNVBWRKXGQFPQ-SFHVURJKSA-N 2 0 324.472 2.909 20 0 DFADRP Cc1cc(C)n(-c2ccc(C[N@@H+]3CC[C@H]4C[NH2+]C[C@@H]4C3)cc2)n1 ZINC000357086992 158363547 /nfs/dbraw/zinc/36/35/47/158363547.db2.gz RZZTZEJVWSFJCG-ZWKOTPCHSA-N 2 0 310.445 2.530 20 0 DFADRP C[NH+](C)C1CCC([NH2+]Cc2ccc(N3CCCC3)nc2)CC1 ZINC000430015460 296767088 /nfs/dbraw/zinc/76/70/88/296767088.db2.gz LIYRLVKTRDNJGV-UHFFFAOYSA-N 2 0 302.466 2.644 20 0 DFADRP Cc1ccc(C)c(NC(=O)[C@H](C)[N@@H+]2CCC3(C2)CC[NH2+]CC3)c1 ZINC000358507456 158382795 /nfs/dbraw/zinc/38/27/95/158382795.db2.gz KKTIMNWMAPEXNX-INIZCTEOSA-N 2 0 315.461 2.706 20 0 DFADRP C[C@H](CC[NH+](C)C)N[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000358670744 158397782 /nfs/dbraw/zinc/39/77/82/158397782.db2.gz WVOGERNTSWJGKM-AOIWGVFYSA-N 2 0 303.494 2.969 20 0 DFADRP CSc1ccc([C@@H](C)[NH2+][C@@H](C)CN2CC[NH+](C)CC2)cc1 ZINC000173399777 286728490 /nfs/dbraw/zinc/72/84/90/286728490.db2.gz SLICFNNYXDUHBL-LSDHHAIUSA-N 2 0 307.507 2.695 20 0 DFADRP C[C@@H](NC(=O)[C@H](C)[NH+]1CCC(C[NH3+])CC1)c1ccc(Cl)cc1 ZINC000430636628 296801496 /nfs/dbraw/zinc/80/14/96/296801496.db2.gz YYFXQKQXBNUGBE-OLZOCXBDSA-N 2 0 323.868 2.576 20 0 DFADRP C[NH2+]CC1CC[NH+]([C@H](C)C(=O)Nc2ccc(Cl)cc2)CC1 ZINC000430920222 296811939 /nfs/dbraw/zinc/81/19/39/296811939.db2.gz NVESGPVYKMKXKL-GFCCVEGCSA-N 2 0 309.841 2.598 20 0 DFADRP Cc1cccc(-c2n[nH]cc2C[NH+]2CCC3(CC[NH2+]C3)CC2)c1 ZINC000430920462 296812117 /nfs/dbraw/zinc/81/21/17/296812117.db2.gz OYMKCLYVCXHOTF-UHFFFAOYSA-N 2 0 310.445 2.961 20 0 DFADRP C[NH2+]CC1CC[NH+]([C@@H](C)C(=O)Nc2cccc(Cl)c2C)CC1 ZINC000430932655 296813295 /nfs/dbraw/zinc/81/32/95/296813295.db2.gz GRQKRXAQTDVBDN-ZDUSSCGKSA-N 2 0 323.868 2.907 20 0 DFADRP C[NH2+]CC1CC[NH+]([C@H](C)C(=O)Nc2cccc(Cl)c2C)CC1 ZINC000430932652 296813030 /nfs/dbraw/zinc/81/30/30/296813030.db2.gz GRQKRXAQTDVBDN-CYBMUJFWSA-N 2 0 323.868 2.907 20 0 DFADRP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC000360217533 287012726 /nfs/dbraw/zinc/01/27/26/287012726.db2.gz GPVKWAYMGNHPRH-IAGOWNOFSA-N 2 0 309.498 2.632 20 0 DFADRP C[C@@H]1C[C@@H]1c1ccc(C[NH2+]CCN2CC[N@H+](C)C(C)(C)C2)o1 ZINC000441369676 297181299 /nfs/dbraw/zinc/18/12/99/297181299.db2.gz OACOPHYVEXMYDR-ZBFHGGJFSA-N 2 0 305.466 2.519 20 0 DFADRP C[C@@H](O)[C@@](C)(C[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1)Cc1ccccc1 ZINC000188921862 287112602 /nfs/dbraw/zinc/11/26/02/287112602.db2.gz IYRIMFFUHZMMKF-VBSBHUPXSA-N 2 0 316.489 2.833 20 0 DFADRP C[NH+](C)Cc1cccc(NC(=O)C2C[NH+](C3CCCCC3)C2)c1 ZINC000457445958 298727445 /nfs/dbraw/zinc/72/74/45/298727445.db2.gz XIOKMJDCHSELID-UHFFFAOYSA-N 2 0 315.461 2.951 20 0 DFADRP c1ccc(CC[N@@H+]2CC[C@@H](NC3CC[NH+](C4CC4)CC3)C2)cc1 ZINC000129461319 196050711 /nfs/dbraw/zinc/05/07/11/196050711.db2.gz UDZAMZPQEAGYDG-LJQANCHMSA-N 2 0 313.489 2.520 20 0 DFADRP COc1ccccc1O[C@H](C)C[NH2+][C@H]1C[C@@H](C)[N@H+](C)C[C@H]1C ZINC000129583994 196059930 /nfs/dbraw/zinc/05/99/30/196059930.db2.gz FYIPUUHHMYPZEL-FPCVCCKLSA-N 2 0 306.450 2.781 20 0 DFADRP COC(=O)c1cc([C@@H](C)[NH+]2CCC(C[NH+](C)C)CC2)oc1C ZINC000432927045 296891364 /nfs/dbraw/zinc/89/13/64/296891364.db2.gz JRSDPUTXKNDUOE-GFCCVEGCSA-N 2 0 308.422 2.709 20 0 DFADRP C[C@@H](C[NH2+][C@H]1CC[C@H](c2ccccc2)C1)N1CC[NH+](C)CC1 ZINC000131228970 196151612 /nfs/dbraw/zinc/15/16/12/196151612.db2.gz PNXQLCSZYCJZTA-WDSOQIARSA-N 2 0 301.478 2.548 20 0 DFADRP C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@@H]1[NH2+]CCc1ccc(F)cc1 ZINC000131713586 196192394 /nfs/dbraw/zinc/19/23/94/196192394.db2.gz KEMGSCOZRQSXQI-MNEFBYGVSA-N 2 0 320.452 2.847 20 0 DFADRP C[C@H]1CCCC[N@@H+]1CCC1CC[NH+](CCn2ccnc2)CC1 ZINC000131735556 196195587 /nfs/dbraw/zinc/19/55/87/196195587.db2.gz HVQZDHCHKVDBNC-KRWDZBQOSA-N 2 0 304.482 2.860 20 0 DFADRP C[C@H]([NH2+]Cc1ccc(C[NH+]2CCC(O)CC2)cc1)C1(C)CC1 ZINC000132773942 196282192 /nfs/dbraw/zinc/28/21/92/196282192.db2.gz LKWWYAQXEYFNJO-HNNXBMFYSA-N 2 0 302.462 2.922 20 0 DFADRP CC[C@@H]([NH2+]Cc1ccc(C[NH+]2CCC(O)CC2)cc1)C1CC1 ZINC000132804331 196284851 /nfs/dbraw/zinc/28/48/51/196284851.db2.gz ZVBVIPMNNMEHND-LJQANCHMSA-N 2 0 302.462 2.922 20 0 DFADRP CCCc1cc(NC[C@](C)(O)C[NH+](C)C)c2ccccc2[nH+]1 ZINC000133008725 196304809 /nfs/dbraw/zinc/30/48/09/196304809.db2.gz URGLDZFGKBABAU-SFHVURJKSA-N 2 0 301.434 2.912 20 0 DFADRP COc1ccc([C@H](C)[NH2+]C2CC[NH+](C[C@@H]3CCOC3)CC2)cc1 ZINC000133094260 196310715 /nfs/dbraw/zinc/31/07/15/196310715.db2.gz BGNPDPZSAWFFFF-HOTGVXAUSA-N 2 0 318.461 2.847 20 0 DFADRP C[NH+]1CCC(C)(C[NH2+]Cc2ncc(C(F)(F)F)s2)CC1 ZINC000433328796 296907141 /nfs/dbraw/zinc/90/71/41/296907141.db2.gz AZMDAKDLFFYUKT-UHFFFAOYSA-N 2 0 307.385 2.983 20 0 DFADRP C[C@@H](O)C[N@H+](C)C1CCN(Cc2cc3ccncc3s2)CC1 ZINC000667611698 543640811 /nfs/dbraw/zinc/64/08/11/543640811.db2.gz YSHCWZNYFYABOC-CYBMUJFWSA-N 2 0 319.474 2.573 20 0 DFADRP Cc1ccc2cc(CN3CCC([N@@H+](C)C[C@H](C)O)CC3)[nH]c2c1 ZINC000667611530 543641017 /nfs/dbraw/zinc/64/10/17/543641017.db2.gz RUPLCJNEFAVKKQ-HNNXBMFYSA-N 2 0 315.461 2.753 20 0 DFADRP Cc1ccccc1C[N@@H+]1CCCN(Cc2cnc3n2CCC3)CC1 ZINC000667497536 543618810 /nfs/dbraw/zinc/61/88/10/543618810.db2.gz FQZOKNNPXDQCTN-UHFFFAOYSA-N 2 0 324.472 2.846 20 0 DFADRP Cc1ncc(C[N@@H+]2CC[C@](O)(Cc3cccc(Cl)c3)C2)n1C ZINC000667712755 543665044 /nfs/dbraw/zinc/66/50/44/543665044.db2.gz OVLATNZTGAUWRC-KRWDZBQOSA-N 2 0 319.836 2.561 20 0 DFADRP C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)Nc2cccc(C[NH3+])c2)C1 ZINC000667731025 543668250 /nfs/dbraw/zinc/66/82/50/543668250.db2.gz JUHWWVWRGRKSSZ-AWEZNQCLSA-N 2 0 318.465 2.777 20 0 DFADRP C[C@H]1CCC[C@H](C)[NH+]1CCNC(=O)Nc1cccc(C[NH3+])c1 ZINC000667729861 543668319 /nfs/dbraw/zinc/66/83/19/543668319.db2.gz ZCSCFZKYPBHQRO-KBPBESRZSA-N 2 0 304.438 2.530 20 0 DFADRP C[NH+](C)Cc1cccc(CNC(=O)Nc2cccc(C[NH3+])c2)c1 ZINC000667730972 543668601 /nfs/dbraw/zinc/66/86/01/543668601.db2.gz IEOWYTMLKSWELK-UHFFFAOYSA-N 2 0 312.417 2.529 20 0 DFADRP CC(C)(CNC(=O)Nc1cccc(C[NH3+])c1)[NH+]1CCCCC1 ZINC000667732178 543669179 /nfs/dbraw/zinc/66/91/79/543669179.db2.gz DWZPANPCXLJOTR-UHFFFAOYSA-N 2 0 304.438 2.531 20 0 DFADRP C[NH+](C)[C@H](CNC(=O)Nc1cccc(C[NH3+])c1)c1ccccc1 ZINC000667732301 543669396 /nfs/dbraw/zinc/66/93/96/543669396.db2.gz FSPBTXPCSVVXSB-QGZVFWFLSA-N 2 0 312.417 2.570 20 0 DFADRP c1cc(C[NH+]2CCCC2)ccc1C[NH2+][C@@H]1CO[C@H](C2CC2)C1 ZINC000667769849 543676055 /nfs/dbraw/zinc/67/60/55/543676055.db2.gz HVJUQXGWOXIKGY-OALUTQOASA-N 2 0 300.446 2.940 20 0 DFADRP CN(Cc1cccc(F)c1OC(F)F)C[C@@H]1CC[N@H+](C)C1 ZINC000668021046 543725010 /nfs/dbraw/zinc/72/50/10/543725010.db2.gz 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ZINC000668168311 543757595 /nfs/dbraw/zinc/75/75/95/543757595.db2.gz UDZFUNVYYHCTPU-FUHWJXTLSA-N 2 0 322.497 2.552 20 0 DFADRP COC[C@H](C)Oc1ccc(C[N@H+](C)[C@H]2CCN(C)C[C@H]2C)cc1 ZINC000668172107 543758352 /nfs/dbraw/zinc/75/83/52/543758352.db2.gz DNLKCTSHRZAKFI-GJYPPUQNSA-N 2 0 320.477 2.872 20 0 DFADRP O[C@@H]1CC[N@H+](Cc2ccc(C[NH2+][C@@H]3CCC[C@@H]4C[C@@H]43)cc2)C1 ZINC000668489009 543814060 /nfs/dbraw/zinc/81/40/60/543814060.db2.gz JBPZBOJLFPTPRG-AKHDSKFASA-N 2 0 300.446 2.531 20 0 DFADRP CN1CC(C[N@H+](C)Cc2ccc(OCC(F)(F)F)cc2)C1 ZINC000668538217 543820515 /nfs/dbraw/zinc/82/05/15/543820515.db2.gz WUUJALFZSQBROO-UHFFFAOYSA-N 2 0 302.340 2.621 20 0 DFADRP CC(C)(C)N1CC[C@H]1C[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000668432821 543805653 /nfs/dbraw/zinc/80/56/53/543805653.db2.gz YOQCMDPMMPWHIX-KRWDZBQOSA-N 2 0 302.466 2.513 20 0 DFADRP C[C@@H](CN1CCC(C)CC1)[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000668617004 543836959 /nfs/dbraw/zinc/83/69/59/543836959.db2.gz TXHIAWUQBDXETC-KRWDZBQOSA-N 2 0 316.493 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313.449 2.701 20 0 DFADRP C[C@H]([NH2+]Cc1c[nH]c2nccnc12)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000290971418 222039977 /nfs/dbraw/zinc/03/99/77/222039977.db2.gz XKSMJWWKMWFWAS-KBPBESRZSA-N 2 0 313.449 2.701 20 0 DFADRP C[C@@H](C(=O)Nc1ccc(C[N@@H+]2CCCC[C@@H]2C)cc1)[NH+](C)C ZINC000674245301 544226295 /nfs/dbraw/zinc/22/62/95/544226295.db2.gz JXIYHXJQAOHZIX-GJZGRUSLSA-N 2 0 303.450 2.950 20 0 DFADRP CC[N@@H+]1CC[C@H](N(C)Cc2cn3cccc(C)c3n2)[C@@H](C)C1 ZINC000674306014 544230843 /nfs/dbraw/zinc/23/08/43/544230843.db2.gz YOBRNSAWMKUYRS-RDJZCZTQSA-N 2 0 300.450 2.805 20 0 DFADRP C[C@H]([NH2+]CCN1CCCc2ccccc21)C1CC[NH+](C)CC1 ZINC000675783300 544336050 /nfs/dbraw/zinc/33/60/50/544336050.db2.gz FYDSNTSGRKTKCX-INIZCTEOSA-N 2 0 301.478 2.759 20 0 DFADRP CC[N@@H+]1CC[C@H]([NH2+]CCN2CCCc3ccccc32)[C@H](C)C1 ZINC000675783277 544336264 /nfs/dbraw/zinc/33/62/64/544336264.db2.gz FPQXJAIKCJIYSW-AEFFLSMTSA-N 2 0 301.478 2.759 20 0 DFADRP Cc1cccc2c1CC[C@@H]2[NH2+]CC(C)(C)N1CC[NH+](C)CC1 ZINC000675742621 544332895 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C[C@@H](C(=O)Nc1cccc(CC[NH+]2CCC(C)CC2)c1)[NH+](C)C ZINC000678331865 544652397 /nfs/dbraw/zinc/65/23/97/544652397.db2.gz HOARAWOWTSRQNC-INIZCTEOSA-N 2 0 317.477 2.850 20 0 DFADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+][C@@H](C)c2ccc(C)nc2C)CC1 ZINC000678422528 544670377 /nfs/dbraw/zinc/67/03/77/544670377.db2.gz GUDSNDRNKHQFMQ-RDJZCZTQSA-N 2 0 318.509 2.623 20 0 DFADRP CC[N@@H+]1C[C@H](C)N(Cc2ccc(OCC[NH+](C)C)cc2)C[C@@H]1C ZINC000678272215 544640183 /nfs/dbraw/zinc/64/01/83/544640183.db2.gz CODNHEQWKWHXOY-IRXDYDNUSA-N 2 0 319.493 2.542 20 0 DFADRP CCC[N@H+](C)C[C@@H]1CCN(Cc2nn(C)c3ccccc23)C1 ZINC000678283344 544644141 /nfs/dbraw/zinc/64/41/41/544644141.db2.gz JKQUYTMXTGOAIC-HNNXBMFYSA-N 2 0 300.450 2.737 20 0 DFADRP COc1cccc2c1OCC[C@@H]2[NH2+][C@H](C)C1CC[NH+](C)CC1 ZINC000678590110 544697249 /nfs/dbraw/zinc/69/72/49/544697249.db2.gz UAPAKEDSPSWLQK-CJNGLKHVSA-N 2 0 304.434 2.839 20 0 DFADRP C[C@H](CC1CCC1)[NH2+]Cc1ccc(C(=O)NCC[NH+](C)C)cc1 ZINC000678591113 544698665 /nfs/dbraw/zinc/69/86/65/544698665.db2.gz GAMZDHXEXMZHCM-OAHLLOKOSA-N 2 0 317.477 2.646 20 0 DFADRP C[NH+]1CCN(C(C)(C)C[NH2+][C@@H]2CCCc3ccc(F)cc32)CC1 ZINC000678923420 544749614 /nfs/dbraw/zinc/74/96/14/544749614.db2.gz MKXYPGFUSXOHDD-GOSISDBHSA-N 2 0 319.468 2.819 20 0 DFADRP C[C@H](C[NH2+]CC(C)(C)N1CC[NH+](C)CC1)c1ccc(F)cc1 ZINC000678947327 544754984 /nfs/dbraw/zinc/75/49/84/544754984.db2.gz SEDQRDQFRQLCFS-OAHLLOKOSA-N 2 0 307.457 2.545 20 0 DFADRP CC(C)[C@@H](O)C1(C[NH2+]Cc2ccc(OCC[NH+](C)C)cc2)CC1 ZINC000678969006 544758768 /nfs/dbraw/zinc/75/87/68/544758768.db2.gz XKMKANMNSMCGAQ-GOSISDBHSA-N 2 0 320.477 2.514 20 0 DFADRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H]2CCC(F)(F)C2)[C@H](C)C1 ZINC000679072866 544779514 /nfs/dbraw/zinc/77/95/14/544779514.db2.gz DTHNAJXUFFPCCR-ILXRZTDVSA-N 2 0 304.425 2.901 20 0 DFADRP c1cn(CCC[NH+]2CCC(C[NH+]3CCCCCC3)CC2)cn1 ZINC000678881671 544743178 /nfs/dbraw/zinc/74/31/78/544743178.db2.gz PPWWYYMFCULRSQ-UHFFFAOYSA-N 2 0 304.482 2.861 20 0 DFADRP OCC1(C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)CC1 ZINC000679395443 544848813 /nfs/dbraw/zinc/84/88/13/544848813.db2.gz XGCPXLCSUVLNIE-BCDXTJNWSA-N 2 0 300.446 2.544 20 0 DFADRP C[C@@H](CCCCO)[NH2+]C[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000679337065 544837183 /nfs/dbraw/zinc/83/71/83/544837183.db2.gz JWQZBUVOWGQDFM-PKOBYXMFSA-N 2 0 304.478 2.692 20 0 DFADRP Cc1ccc(C)c(OCC[NH+]2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000679436881 544853326 /nfs/dbraw/zinc/85/33/26/544853326.db2.gz PLMAPAKQOFCKBV-UHFFFAOYSA-N 2 0 311.429 2.899 20 0 DFADRP Cc1cccc(C)c1OCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000679438237 544854158 /nfs/dbraw/zinc/85/41/58/544854158.db2.gz RQICKWULYARMGL-UHFFFAOYSA-N 2 0 311.429 2.899 20 0 DFADRP CO[C@@H]1CCC[NH+](CC(C)C[N@H+]2CCC[C@@H](OC)CC2)CC1 ZINC000679953867 544933568 /nfs/dbraw/zinc/93/35/68/544933568.db2.gz XOIAXMAUOABMJR-QZTJIDSGSA-N 2 0 312.498 2.624 20 0 DFADRP COc1ccccc1C[NH2+]CCCC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000062253084 425900052 /nfs/dbraw/zinc/90/00/52/425900052.db2.gz ZLPZGIVXRLCDLN-HOTGVXAUSA-N 2 0 306.450 2.674 20 0 DFADRP CC[NH+]1CCN([C@H](C)C[NH2+][C@@H](CC(C)C)c2ccccn2)CC1 ZINC000155573684 425920428 /nfs/dbraw/zinc/92/04/28/425920428.db2.gz JBFLWYXOXLOCSU-MJGOQNOKSA-N 2 0 318.509 2.784 20 0 DFADRP CC[NH+]1CCN([C@H](C)C[NH2+][C@H](C)c2ccc(OC)c(F)c2)CC1 ZINC000155612743 425922684 /nfs/dbraw/zinc/92/26/84/425922684.db2.gz NHJOKAKHKZDMOP-HUUCEWRRSA-N 2 0 323.456 2.511 20 0 DFADRP CC[NH+]1CCN([C@@H](C)C[NH2+][C@@H](C)c2cc(F)cc(F)c2)CC1 ZINC000155667091 425923608 /nfs/dbraw/zinc/92/36/08/425923608.db2.gz XTYVPEIAWKBUQU-KBPBESRZSA-N 2 0 311.420 2.641 20 0 DFADRP CC[C@H](C)[C@H]([NH3+])C(=O)N(C)C1CC[NH+](C2CCC(C)CC2)CC1 ZINC000155676931 425924251 /nfs/dbraw/zinc/92/42/51/425924251.db2.gz YUSVJDCWICSSHU-LSCKAKRGSA-N 2 0 323.525 2.861 20 0 DFADRP CCc1ccc([C@H](C)[NH2+]CC2CC[NH+](CCN(C)C)CC2)o1 ZINC000124540958 425925140 /nfs/dbraw/zinc/92/51/40/425925140.db2.gz WFJILQPSMPAKAZ-HNNXBMFYSA-N 2 0 307.482 2.766 20 0 DFADRP CC[C@H](COC)[NH2+]CCCN1CCN(c2cccc(C)c2)CC1 ZINC000124549825 425925541 /nfs/dbraw/zinc/92/55/41/425925541.db2.gz UUDPVQNHCMLGAB-GOSISDBHSA-N 2 0 319.493 2.522 20 0 DFADRP CC(C)[C@H](C(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)[NH+]1CCCCC1 ZINC000085290344 267447589 /nfs/dbraw/zinc/44/75/89/267447589.db2.gz WNOIJCZERORYKP-JKSUJKDBSA-N 2 0 311.514 2.589 20 0 DFADRP C[C@@H]([NH2+][C@@H]1CCCOCC1)c1cccc(OCC[NH+](C)C)c1 ZINC000183350118 267752662 /nfs/dbraw/zinc/75/26/62/267752662.db2.gz NHPXMXANJKGGDH-NVXWUHKLSA-N 2 0 306.450 2.847 20 0 DFADRP C[C@H]([NH2+]CCCN1CC[NH+](C)CC1)c1ccc(F)cc1Cl ZINC000037229182 425847537 /nfs/dbraw/zinc/84/75/37/425847537.db2.gz XMYCUBTWJGZZSX-ZDUSSCGKSA-N 2 0 313.848 2.767 20 0 DFADRP COc1cccc2c1CC[C@@H]([NH2+]C[C@H](C)C[NH+]1CCCC1)C2 ZINC000192439643 268037060 /nfs/dbraw/zinc/03/70/60/268037060.db2.gz FOHGIORUVSSXPL-DOTOQJQBSA-N 2 0 302.462 2.874 20 0 DFADRP CC(C)C[NH+]1CCC(NC(=O)[C@@H]2CCCCCC[C@@H]2[NH3+])CC1 ZINC000236771638 268150163 /nfs/dbraw/zinc/15/01/63/268150163.db2.gz BPGNPUBLSDEHJK-SJORKVTESA-N 2 0 309.498 2.521 20 0 DFADRP CC[NH+](CC)[C@@H](CNC(=O)[C@@H](C[NH3+])c1ccccc1)CC(C)C ZINC000236826389 268152118 /nfs/dbraw/zinc/15/21/18/268152118.db2.gz WAXLIQDENLVJOH-MSOLQXFVSA-N 2 0 319.493 2.602 20 0 DFADRP C[C@H]1C[NH+](CCC2CC[NH+](Cc3ccccn3)CC2)C[C@H](C)O1 ZINC000267422004 268181006 /nfs/dbraw/zinc/18/10/06/268181006.db2.gz WPQIXNVNDKKBJT-IRXDYDNUSA-N 2 0 317.477 2.793 20 0 DFADRP CNC(=O)C[C@@H](C)[NH2+]Cc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000268823653 268186193 /nfs/dbraw/zinc/18/61/93/268186193.db2.gz OSEJWTZHFRQRMO-HZPDHXFCSA-N 2 0 317.477 2.533 20 0 DFADRP C[C@H]([NH2+]CCc1ccncc1)c1ccc(OCC[NH+](C)C)cc1 ZINC000269030932 268188271 /nfs/dbraw/zinc/18/82/71/268188271.db2.gz UKYJINBSPLNBKD-INIZCTEOSA-N 2 0 313.445 2.915 20 0 DFADRP Cc1cccc(C[NH+]2CCC(N3CC[NH+](C(C)C)CC3)CC2)c1 ZINC000270822947 268222446 /nfs/dbraw/zinc/22/24/46/268222446.db2.gz BNLKZALCMDUXGD-UHFFFAOYSA-N 2 0 315.505 2.985 20 0 DFADRP COCC[N@H+](C)CCCC1CCN(c2cc(C)ccn2)CC1 ZINC000270973605 268242705 /nfs/dbraw/zinc/24/27/05/268242705.db2.gz QNXVIWIOBDKDGT-UHFFFAOYSA-N 2 0 305.466 2.965 20 0 DFADRP C[C@@H]1CCC[C@@H](C)N1C(=O)C[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000047969076 425872602 /nfs/dbraw/zinc/87/26/02/425872602.db2.gz AMHRSBDHCGCPCS-IAGOWNOFSA-N 2 0 321.509 2.584 20 0 DFADRP C[NH+](C)CCCC1CC[NH+](C[C@@H](O)Cc2ccccc2)CC1 ZINC000271000617 268247165 /nfs/dbraw/zinc/24/71/65/268247165.db2.gz GFMJKLGIFDBXLG-IBGZPJMESA-N 2 0 304.478 2.644 20 0 DFADRP Fc1ccc(N2CC[NH+](CC3CC[NH2+]CC3)CC2)c(Cl)c1 ZINC000297134831 268310709 /nfs/dbraw/zinc/31/07/09/268310709.db2.gz YVDPHPAAPWLFHV-UHFFFAOYSA-N 2 0 311.832 2.601 20 0 DFADRP CC[C@@H](C)NC(=O)[C@@H](C)[NH+]1CCC(C[NH+]2CCCCCC2)CC1 ZINC000048564627 425875844 /nfs/dbraw/zinc/87/58/44/425875844.db2.gz UEZLREPFCUINGO-IAGOWNOFSA-N 2 0 323.525 2.878 20 0 DFADRP CCC[NH+]1CCC([NH2+][C@@H](C)[C@H](C)NC(=O)OC(C)(C)C)CC1 ZINC000309834467 268335951 /nfs/dbraw/zinc/33/59/51/268335951.db2.gz UDHWQCYTFAPAMZ-KBPBESRZSA-N 2 0 313.486 2.752 20 0 DFADRP C[C@@H]1CN(C)CC[C@H]1[NH2+][C@H]1CCCN(Cc2ccccc2)C1 ZINC000309775017 268336060 /nfs/dbraw/zinc/33/60/60/268336060.db2.gz YVIFQKRBUWFQDI-NZSAHSFTSA-N 2 0 301.478 2.581 20 0 DFADRP C[C@H](C[NH2+]C1CCC(NC(=O)OC(C)(C)C)CC1)C[NH+](C)C ZINC000309748022 268336159 /nfs/dbraw/zinc/33/61/59/268336159.db2.gz YJJVCYIFWOIBDP-WLYUNCDWSA-N 2 0 313.486 2.610 20 0 DFADRP Cn1cnc(CC[NH2+]Cc2cc(F)cc(Br)c2)c1 ZINC000313266172 268339506 /nfs/dbraw/zinc/33/95/06/268339506.db2.gz QIOPSWBKYHISPI-UHFFFAOYSA-N 2 0 312.186 2.654 20 0 DFADRP Cn1cnc(CC[NH2+]CCN(C(=O)OC(C)(C)C)C(C)(C)C)c1 ZINC000313268744 268339576 /nfs/dbraw/zinc/33/95/76/268339576.db2.gz WXVQJHKVKMUESF-UHFFFAOYSA-N 2 0 324.469 2.588 20 0 DFADRP c1coc(-c2nc(C[N@H+]3CC[C@H]4C[NH2+]C[C@H]4CC3)cs2)c1 ZINC000314879833 268342212 /nfs/dbraw/zinc/34/22/12/268342212.db2.gz HZSRZMXKLIFZFX-BETUJISGSA-N 2 0 303.431 2.835 20 0 DFADRP c1ccc(CN2CCC[N@@H+](CC[C@@H]3CCC[NH2+]C3)CC2)cc1 ZINC000323833268 268350325 /nfs/dbraw/zinc/35/03/25/268350325.db2.gz RCYLSUDDYXMISW-SFHVURJKSA-N 2 0 301.478 2.584 20 0 DFADRP CCc1noc(C2CCC([NH2+][C@@H](C)[C@@H]3CCC[NH2+]C3)CC2)n1 ZINC000333182777 268380090 /nfs/dbraw/zinc/38/00/90/268380090.db2.gz QCJFHAIDAWXEPO-FGZQJIAISA-N 2 0 306.454 2.636 20 0 DFADRP CC[NH+]1CCN([C@H]2CC[N@@H+]([C@@H](C)c3ccccc3F)C2)CC1 ZINC000107369840 425989340 /nfs/dbraw/zinc/98/93/40/425989340.db2.gz YQEPQWDLGJFESP-HOTGVXAUSA-N 2 0 305.441 2.599 20 0 DFADRP CC1(C)CC([NH2+]Cc2ccc(-n3cncn3)cc2)CC(C)(C)[NH2+]1 ZINC000103341002 425943723 /nfs/dbraw/zinc/94/37/23/425943723.db2.gz ZWBSKUOOUDIKJA-UHFFFAOYSA-N 2 0 313.449 2.666 20 0 DFADRP C[C@@H](CCn1cccn1)[NH2+]C1CC[NH+](CC2CCCC2)CC1 ZINC000158772641 425947371 /nfs/dbraw/zinc/94/73/71/425947371.db2.gz AKZBMCARSUSTHQ-INIZCTEOSA-N 2 0 304.482 2.906 20 0 DFADRP c1cc(C[NH+]2CCSCC2)ccc1C[NH+]1CCSCC1 ZINC000103468125 425948964 /nfs/dbraw/zinc/94/89/64/425948964.db2.gz LMWIZFFKOAASJE-UHFFFAOYSA-N 2 0 308.516 2.784 20 0 DFADRP CC(C)[C@@H](CO)[N@H+](CC[C@@H]1CCC[NH+]1C)Cc1ccccc1 ZINC000125034088 425950771 /nfs/dbraw/zinc/95/07/71/425950771.db2.gz RVHFJGRQJGGJHM-RBUKOAKNSA-N 2 0 304.478 2.990 20 0 DFADRP CCOC(=O)CC[NH+]1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000158969431 425951369 /nfs/dbraw/zinc/95/13/69/425951369.db2.gz FDHAUIRAVNVYIB-MRXNPFEDSA-N 2 0 310.482 2.916 20 0 DFADRP CC(=O)N1CCC([NH2+]Cc2cccc(C[N@@H+](C)C(C)C)c2)CC1 ZINC000126735954 426034485 /nfs/dbraw/zinc/03/44/85/426034485.db2.gz LXFGMESUNJASFX-UHFFFAOYSA-N 2 0 317.477 2.627 20 0 DFADRP C[C@@H]([NH2+]Cc1ccc(CN2CC[NH+](C)CC2)cc1)C1(C)CC1 ZINC000126729717 426034577 /nfs/dbraw/zinc/03/45/77/426034577.db2.gz KRNPERXWSZYXSM-MRXNPFEDSA-N 2 0 301.478 2.712 20 0 DFADRP Cc1nccn1CCCCN1CCC[C@@H]([NH+]2CCCCC2)C1 ZINC000161733864 426037027 /nfs/dbraw/zinc/03/70/27/426037027.db2.gz XPNCWOIHRPZEIN-GOSISDBHSA-N 2 0 304.482 2.922 20 0 DFADRP CCC[NH+]1CCC([N@H+](C)CCOc2ccc(OC)cc2)CC1 ZINC000111240886 426041161 /nfs/dbraw/zinc/04/11/61/426041161.db2.gz SBCHIRHSVMQQAC-UHFFFAOYSA-N 2 0 306.450 2.880 20 0 DFADRP CCC(CC)(CNC(=O)C[NH+](C)C)[NH2+][C@@H](C)c1ccccc1 ZINC000111634584 426054485 /nfs/dbraw/zinc/05/44/85/426054485.db2.gz FDIKSXHMGVWJRR-HNNXBMFYSA-N 2 0 305.466 2.574 20 0 DFADRP C[C@H](C[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1)CN(C)C(=O)OC(C)(C)C ZINC000162489942 426066390 /nfs/dbraw/zinc/06/63/90/426066390.db2.gz RMJGOMTYKBOTJP-QLFBSQMISA-N 2 0 313.486 2.562 20 0 DFADRP CC[C@@H]([NH2+]Cc1ccc(OCC[NH+](C)C)cc1)c1cnn(C)c1 ZINC000162491717 426066463 /nfs/dbraw/zinc/06/64/63/426066463.db2.gz XUYORCHIJHKRCL-GOSISDBHSA-N 2 0 316.449 2.601 20 0 DFADRP C[C@@H]1CCc2c(F)cccc2[C@@H]1[NH2+]CCCN1CC[NH+](C)CC1 ZINC000162488996 426066556 /nfs/dbraw/zinc/06/65/56/426066556.db2.gz OPTGTXKBVQSXRJ-DNVCBOLYSA-N 2 0 319.468 2.676 20 0 DFADRP COC(=O)[C@@H](C)[C@H]([NH2+]CCCn1ccnc1C)c1ccccc1 ZINC000127450981 426067080 /nfs/dbraw/zinc/06/70/80/426067080.db2.gz OCGISOAHFRCTSX-YOEHRIQHSA-N 2 0 315.417 2.722 20 0 DFADRP CC[NH+](CC)C[C@H]1CCN(C(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC000075216527 426068337 /nfs/dbraw/zinc/06/83/37/426068337.db2.gz ZNJLBHPJLMIMAB-QGZVFWFLSA-N 2 0 317.477 2.552 20 0 DFADRP CCCc1ccc([C@H](C)[NH2+]C[C@H](C)N2CC[NH+](C)CC2)cc1 ZINC000127511632 426070744 /nfs/dbraw/zinc/07/07/44/426070744.db2.gz IHRAQLJADOWRCR-IRXDYDNUSA-N 2 0 303.494 2.926 20 0 DFADRP C[NH+]1CCN(CCC[NH2+]Cc2ccc(C(C)(C)C)s2)CC1 ZINC000126285587 426013180 /nfs/dbraw/zinc/01/31/80/426013180.db2.gz FWJIBOWENGVZNV-UHFFFAOYSA-N 2 0 309.523 2.773 20 0 DFADRP Cc1cc([C@H](C)[NH2+]C[C@H](C)N2CC[NH+](C)CC2)cc(C)c1F ZINC000127844487 426088270 /nfs/dbraw/zinc/08/82/70/426088270.db2.gz CXNLTQMAIUKXQK-HOTGVXAUSA-N 2 0 307.457 2.729 20 0 DFADRP Cc1ccc(C)c([C@H](C)[NH2+]CCC[N@@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000128012723 426098112 /nfs/dbraw/zinc/09/81/12/426098112.db2.gz XTXNAXBJVKWJQR-IRXDYDNUSA-N 2 0 317.477 2.541 20 0 DFADRP CC(C)(C)c1csc([C@@H]2CN(CCn3ccnc3)CCO2)n1 ZINC000163454291 426099722 /nfs/dbraw/zinc/09/97/22/426099722.db2.gz ZEPKRAAWNGQERH-ZDUSSCGKSA-N 2 0 320.462 2.711 20 0 DFADRP [NH3+]CCCCCCC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000163848297 426111248 /nfs/dbraw/zinc/11/12/48/426111248.db2.gz JEFHQNRQISROFX-UHFFFAOYSA-N 2 0 317.477 2.808 20 0 DFADRP C[C@H]([NH2+]CCCN1CCC[N@H+](C)CC1)c1cc2c(s1)CCC2 ZINC000128420772 426116646 /nfs/dbraw/zinc/11/66/46/426116646.db2.gz BHBCVXKYHWDMSP-HNNXBMFYSA-N 2 0 321.534 2.915 20 0 DFADRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@@H]1CCCc2nc(C)sc21 ZINC000166026950 426125581 /nfs/dbraw/zinc/12/55/81/426125581.db2.gz KIAACUJKLOEDPT-ZIAGYGMSSA-N 2 0 311.495 2.775 20 0 DFADRP CC[NH+]1CCN(CCC[NH2+]C[C@H](C)c2ccc(F)cc2)CC1 ZINC000127589279 426075390 /nfs/dbraw/zinc/07/53/90/426075390.db2.gz DNLQQMOECBIENY-INIZCTEOSA-N 2 0 307.457 2.546 20 0 DFADRP CC[C@@H]([NH2+]Cc1ccccc1C[N@H+]1C[C@H](C)C[C@H](C)C1)C(N)=O ZINC000112529670 426082149 /nfs/dbraw/zinc/08/21/49/426082149.db2.gz ACRHLVCGMBMTRS-RVKKMQEKSA-N 2 0 317.477 2.518 20 0 DFADRP CCOc1ccccc1OCC[N@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000075766422 426082483 /nfs/dbraw/zinc/08/24/83/426082483.db2.gz MCUWDYNZOGHDMZ-MRXNPFEDSA-N 2 0 306.450 2.738 20 0 DFADRP C[C@@H](C[NH+]1CCN(C[C@H]2CCCC[N@@H+]2C)CC1)c1ccccc1 ZINC000116879078 426200375 /nfs/dbraw/zinc/20/03/75/426200375.db2.gz FSNMNLMEANXTBQ-AZUAARDMSA-N 2 0 315.505 2.892 20 0 DFADRP CN(C(=O)CC[N@H+](C)CC[C@H]1CCCC[NH+]1C)c1ccccc1 ZINC000135103028 426205139 /nfs/dbraw/zinc/20/51/39/426205139.db2.gz FDDHTZIIZWLHMU-QGZVFWFLSA-N 2 0 317.477 2.846 20 0 DFADRP CC[N@@H+]1CC[C@H]([NH2+]CCc2cnn(-c3ccccc3)c2)[C@H](C)C1 ZINC000130381229 426156510 /nfs/dbraw/zinc/15/65/10/426156510.db2.gz VOVHQKGUSZNGMC-APWZRJJASA-N 2 0 312.461 2.735 20 0 DFADRP CC[N@H+](Cc1ccc(C(=O)N2CC[C@H]([NH+](C)C)C2)cc1)C(C)C ZINC000170868179 426157191 /nfs/dbraw/zinc/15/71/91/426157191.db2.gz FFUIWSQQDRKFAL-SFHVURJKSA-N 2 0 317.477 2.693 20 0 DFADRP CC[NH+]1CCN(CCC[NH2+][C@@H]2CC[C@@H](c3ccccc3)C2)CC1 ZINC000130482233 426159838 /nfs/dbraw/zinc/15/98/38/426159838.db2.gz YAROHGIQCMSESF-WOJBJXKFSA-N 2 0 315.505 2.940 20 0 DFADRP C[C@@H]1C[N@H+](C)CC[C@@H]1NC[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000134084205 426185360 /nfs/dbraw/zinc/18/53/60/426185360.db2.gz UFDKIWBOUAEGSM-NEWSRXKRSA-N 2 0 301.478 2.753 20 0 DFADRP CC[C@]1(C(=O)N2CCC[C@@H](C[N@@H+]3CCCC[C@@H]3C)C2)CCC[NH2+]1 ZINC000134584333 426188470 /nfs/dbraw/zinc/18/84/70/426188470.db2.gz UAHMMZUYRKDMQG-JENIJYKNSA-N 2 0 321.509 2.632 20 0 DFADRP CC[C@]1(C(=O)NCC(C)(C)[NH2+][C@H](C)c2ccccc2)CCC[NH2+]1 ZINC000134595352 426189581 /nfs/dbraw/zinc/18/95/81/426189581.db2.gz FLWXGMCIKIHNQI-DNVCBOLYSA-N 2 0 317.477 2.764 20 0 DFADRP CC(C)C[C@@H](C[NH+](C)C)NC(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000079498039 426195296 /nfs/dbraw/zinc/19/52/96/426195296.db2.gz PTLVAUBVQFEDTJ-KRWDZBQOSA-N 2 0 320.481 2.846 20 0 DFADRP C[C@H](O)C[NH+]1CCC(C[N@H+](C)[C@@H](C)c2cccc(F)c2)CC1 ZINC000171589161 426197227 /nfs/dbraw/zinc/19/72/27/426197227.db2.gz FMJBQZMTUNBRIB-GJZGRUSLSA-N 2 0 308.441 2.911 20 0 DFADRP CCC(C)(C)NC(=O)[C@H](C)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000134890638 426198215 /nfs/dbraw/zinc/19/82/15/426198215.db2.gz BIEHDDJZWOLGLC-ZMSDIMECSA-N 2 0 321.509 2.628 20 0 DFADRP C[C@@H]1CC[N@H+](CCOc2ccc(F)cc2)C[C@@H]1n1ccnc1 ZINC000136082211 426234441 /nfs/dbraw/zinc/23/44/41/426234441.db2.gz JNFWIQZWVREKQW-PBHICJAKSA-N 2 0 303.381 2.984 20 0 DFADRP CC[NH+]1CCN([C@H](C)C[NH2+][C@H](C)c2ccc(F)c(F)c2)CC1 ZINC000173321987 426238347 /nfs/dbraw/zinc/23/83/47/426238347.db2.gz GODFXYNQFSDGLY-ZIAGYGMSSA-N 2 0 311.420 2.641 20 0 DFADRP CC[NH+]1CCN([C@@H](C)C[NH2+][C@H](C)c2ccc(F)c(F)c2)CC1 ZINC000173321974 426238616 /nfs/dbraw/zinc/23/86/16/426238616.db2.gz GODFXYNQFSDGLY-UONOGXRCSA-N 2 0 311.420 2.641 20 0 DFADRP CC[NH+](CC)CCOC1CC[NH+](CCC2(OC)CCC2)CC1 ZINC000339010547 268747189 /nfs/dbraw/zinc/74/71/89/268747189.db2.gz PTLYQMPEVOFKRJ-UHFFFAOYSA-N 2 0 312.498 2.768 20 0 DFADRP C[N@H+](CCC(=O)Nc1ccc(Cl)cc1)C[C@@H]1CCC[NH+](C)C1 ZINC000118841350 426248847 /nfs/dbraw/zinc/24/88/47/426248847.db2.gz KPFVIUMEGXENNZ-CQSZACIVSA-N 2 0 323.868 2.942 20 0 DFADRP CC[N@@H+]1CC[C@H](NC[C@@H](c2ccc(C)cc2)[NH+](C)C)[C@H](C)C1 ZINC000118962515 426252593 /nfs/dbraw/zinc/25/25/93/426252593.db2.gz PQIPJPJESQSSIA-NEWSRXKRSA-N 2 0 303.494 2.918 20 0 DFADRP COCc1ccc(C[NH2+]CCCC[NH+]2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000174315754 426253774 /nfs/dbraw/zinc/25/37/74/426253774.db2.gz AXJOONMCWKPEKM-IAGOWNOFSA-N 2 0 320.477 2.812 20 0 DFADRP CN(CC[NH+]1CCCCC1)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000174402155 426254834 /nfs/dbraw/zinc/25/48/34/426254834.db2.gz PKOCQJHLFHJNGD-HXUWFJFHSA-N 2 0 315.505 2.926 20 0 DFADRP CN(CC[NH+]1CCCCC1)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000174402137 426254973 /nfs/dbraw/zinc/25/49/73/426254973.db2.gz PKOCQJHLFHJNGD-FQEVSTJZSA-N 2 0 315.505 2.926 20 0 DFADRP COC(=O)CCC[C@H]1CCC[C@@H]([NH2+]CCC[NH+]2CCCC2)C1 ZINC000339175334 268774688 /nfs/dbraw/zinc/77/46/88/268774688.db2.gz XCPVFNWSSBZAEV-IAGOWNOFSA-N 2 0 310.482 2.964 20 0 DFADRP CCOc1ccc([C@@H](C)[NH2+]C2CCN(CC[NH+](C)C)CC2)cc1 ZINC000150998788 426272205 /nfs/dbraw/zinc/27/22/05/426272205.db2.gz PHRKGLCETUVBCI-MRXNPFEDSA-N 2 0 319.493 2.762 20 0 DFADRP CC(C)CC[C@@H]1CCC[N@@H+]1CC(=O)NC1CC[NH+](C(C)C)CC1 ZINC000135318044 426212781 /nfs/dbraw/zinc/21/27/81/426212781.db2.gz RCFWOVIGJOJHOU-SFHVURJKSA-N 2 0 323.525 2.876 20 0 DFADRP C[C@H](NC[C@H](O)C[NH+]1CCCCC1)c1cc2c(s1)CCC2 ZINC000151298309 426287990 /nfs/dbraw/zinc/28/79/90/426287990.db2.gz VEGUCQZXDJBKQF-ZFWWWQNUSA-N 2 0 308.491 2.734 20 0 DFADRP C[C@@H](C(=O)NCc1cccc(C[NH+](C)C)c1)[NH+]1CCCCCC1 ZINC000175216434 426289421 /nfs/dbraw/zinc/28/94/21/426289421.db2.gz VTUCUGLRRKEDIT-INIZCTEOSA-N 2 0 317.477 2.629 20 0 DFADRP C[C@H]([NH2+][C@@H](C)[C@@H]1CCOC1)c1ccc(OCC[NH+](C)C)cc1 ZINC000119578757 426298578 /nfs/dbraw/zinc/29/85/78/426298578.db2.gz CMWQUOCAYWLOHO-YQQAZPJKSA-N 2 0 306.450 2.703 20 0 DFADRP CC[N@@H+]1CC[C@H]([NH2+]CCc2nc3c(s2)CCCC3)[C@H](C)C1 ZINC000089667047 426301516 /nfs/dbraw/zinc/30/15/16/426301516.db2.gz QBCKWRQHVAFOMT-KGLIPLIRSA-N 2 0 307.507 2.884 20 0 DFADRP COC(=O)c1ccc(CN(C)[C@H]2CC[N@H+](C)[C@H](C)C2)cc1F ZINC000151664427 426306726 /nfs/dbraw/zinc/30/67/26/426306726.db2.gz NFEYTVSVUKJWOT-OCCSQVGLSA-N 2 0 308.397 2.527 20 0 DFADRP C[C@H]([NH2+]CC1CC[NH+](CCO)CC1)c1cc2c(s1)CCC2 ZINC000151842741 426314774 /nfs/dbraw/zinc/31/47/74/426314774.db2.gz NBAGVFSWXHIYLV-ZDUSSCGKSA-N 2 0 308.491 2.592 20 0 DFADRP Cc1cccc(C[C@H]([NH2+]CC2CC[NH+](CCO)CC2)C2CC2)c1 ZINC000151875939 426316754 /nfs/dbraw/zinc/31/67/54/426316754.db2.gz JLUMRAHIWLJUOI-FQEVSTJZSA-N 2 0 316.489 2.610 20 0 DFADRP CCc1ccc([C@@H](C)[NH2+]C[C@@H](C)CN2CC[NH+](C)CC2)cc1 ZINC000120822292 426316825 /nfs/dbraw/zinc/31/68/25/426316825.db2.gz XILVBVDDVNMEMY-IAGOWNOFSA-N 2 0 303.494 2.783 20 0 DFADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1NC[C@@H](c1ccco1)[NH+]1CCCC1 ZINC000121236834 426327108 /nfs/dbraw/zinc/32/71/08/426327108.db2.gz FSBUCLVCWARCHR-NCOADZHNSA-N 2 0 305.466 2.735 20 0 DFADRP C[N@@H+]1CCC[C@H]2C[NH+](CCN3CCCc4ccccc43)CC[C@@H]21 ZINC000090552607 426327540 /nfs/dbraw/zinc/32/75/40/426327540.db2.gz RTFPNCSXUYPFJV-OALUTQOASA-N 2 0 313.489 2.855 20 0 DFADRP COC[C@H]([NH2+][C@@H](C)c1ccc(OCC[NH+](C)C)cc1)C1CC1 ZINC000090717276 426330601 /nfs/dbraw/zinc/33/06/01/426330601.db2.gz ZEUUZGUDRXWHHJ-KSSFIOAISA-N 2 0 306.450 2.703 20 0 DFADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+][C@@H]2CCCc3ccccc32)CC1 ZINC000121347482 426336714 /nfs/dbraw/zinc/33/67/14/426336714.db2.gz ILPMXIXIWLOVFI-FXAWDEMLSA-N 2 0 315.505 2.927 20 0 DFADRP Cc1nccn1-c1ccc([C@H](C)[NH2+]C[C@H](O)C(F)(F)F)cc1 ZINC000151223541 426285059 /nfs/dbraw/zinc/28/50/59/426285059.db2.gz PQPMRHQZSSXPQC-HZMBPMFUSA-N 2 0 313.323 2.755 20 0 DFADRP C[C@@H]1C[C@@H]([NH2+]CC(C)(C)c2ccc3c(c2)OCCO3)CC[N@@H+]1C ZINC000122867690 426400709 /nfs/dbraw/zinc/40/07/09/426400709.db2.gz RMVNHBRUBZYWJN-ZBFHGGJFSA-N 2 0 318.461 2.808 20 0 DFADRP COCC[N@H+](C)CCCC1CC[NH+](Cc2ccc(C)cn2)CC1 ZINC000122132082 426360008 /nfs/dbraw/zinc/36/00/08/426360008.db2.gz QXOKLZKESWLKFY-UHFFFAOYSA-N 2 0 319.493 2.960 20 0 DFADRP CC[N@@H+]1CC[C@@H]([NH2+][C@@H]2CCCN(Cc3ccccc3)C2)[C@H](C)C1 ZINC000152984551 426365032 /nfs/dbraw/zinc/36/50/32/426365032.db2.gz JAVDBZNPWXAVIW-MISYRCLQSA-N 2 0 315.505 2.971 20 0 DFADRP CC[C@H]([NH2+]Cc1ccccc1OCC[NH+](C)C)c1cnn(C)c1 ZINC000122280161 426366179 /nfs/dbraw/zinc/36/61/79/426366179.db2.gz LUUBDLFHEHWHRY-KRWDZBQOSA-N 2 0 316.449 2.601 20 0 DFADRP CC[C@@H]([NH2+]CCCN1CCc2ccccc2C1)c1cnn(C)c1 ZINC000122758418 426392358 /nfs/dbraw/zinc/39/23/58/426392358.db2.gz ZQQYTIDSMGQEJP-LJQANCHMSA-N 2 0 312.461 2.909 20 0 DFADRP C[C@H]1C[C@@H](NCCC[NH+]2CCc3ccccc3C2)CC[N@@H+]1C ZINC000122759240 426392648 /nfs/dbraw/zinc/39/26/48/426392648.db2.gz GGOASSOBZMNHJR-LPHOPBHVSA-N 3 0 301.478 2.507 20 0 DFADRP C[C@@H]1C[C@@H]([NH2+]Cc2cccc(C[NH+]3CCCC3)c2)CC[N@@H+]1C ZINC000122999792 426407291 /nfs/dbraw/zinc/40/72/91/426407291.db2.gz QQBZDICQHKOHSG-APWZRJJASA-N 2 0 301.478 2.855 20 0 DFADRP C[C@H]1C[C@H]([NH2+]Cc2cccc(C[NH+]3CCCC3)c2)CC[N@@H+]1C ZINC000122999575 426408174 /nfs/dbraw/zinc/40/81/74/426408174.db2.gz QQBZDICQHKOHSG-QFBILLFUSA-N 2 0 301.478 2.855 20 0 DFADRP C[C@H]1C[N@H+](C)CC[C@@H]1[NH2+]Cc1cccc(C[NH+]2CCCC2)c1 ZINC000123031502 426410615 /nfs/dbraw/zinc/41/06/15/426410615.db2.gz OSNACBRMAHPODI-LPHOPBHVSA-N 3 0 301.478 2.712 20 0 DFADRP CCc1nc(C)c([C@H](C)[NH2+]CCCN2CC[NH+](CC)CC2)s1 ZINC000154223186 426430775 /nfs/dbraw/zinc/43/07/75/426430775.db2.gz DCKBDCINOXJIAH-AWEZNQCLSA-N 2 0 324.538 2.692 20 0 DFADRP C[C@H]1C[C@H]1c1ccc(C[NH2+]CCN2CCC([NH+](C)C)CC2)o1 ZINC000176990085 426432612 /nfs/dbraw/zinc/43/26/12/426432612.db2.gz DHHAFMKHJYSXIM-WMLDXEAASA-N 2 0 305.466 2.519 20 0 DFADRP CC[NH+]1CCN(CCC[NH2+][C@@H]2CCSc3ccccc32)CC1 ZINC000154248848 426432864 /nfs/dbraw/zinc/43/28/64/426432864.db2.gz RSOPCZSJQILQME-QGZVFWFLSA-N 2 0 319.518 2.841 20 0 DFADRP CCC(C)(C)NC(=O)[C@@H](C)[NH+]1CCC(CCC[NH+](C)C)CC1 ZINC000123478609 426435692 /nfs/dbraw/zinc/43/56/92/426435692.db2.gz GADVIPKRWWPECU-OAHLLOKOSA-N 2 0 311.514 2.734 20 0 DFADRP CCN1CC[NH+](CCCC[NH2+][C@H]2CCc3ccc(C)cc32)CC1 ZINC000154518715 426444361 /nfs/dbraw/zinc/44/43/61/426444361.db2.gz GHJPUMSQLXZPGR-FQEVSTJZSA-N 2 0 315.505 2.990 20 0 DFADRP C[C@@]1(C[N@H+](CCCO)[C@@H]2CCCc3ccccc32)CC[NH2+]C1 ZINC000340700972 269001412 /nfs/dbraw/zinc/00/14/12/269001412.db2.gz KDRYUINXRNNZPK-RTBURBONSA-N 2 0 302.462 2.748 20 0 DFADRP CC[NH+]1CCN(Cc2ccccc2C[NH2+][C@H](C)C2CC2)CC1 ZINC000177223771 426456957 /nfs/dbraw/zinc/45/69/57/426456957.db2.gz WKHDZJYSDKLPIU-MRXNPFEDSA-N 2 0 301.478 2.712 20 0 DFADRP C[C@@H](CN1CC[NH+](C)CC1)[NH2+][C@@H](C)C(C)(C)c1ccccc1 ZINC000154905611 426458372 /nfs/dbraw/zinc/45/83/72/426458372.db2.gz DRIQEEWPENCAQX-IRXDYDNUSA-N 2 0 303.494 2.578 20 0 DFADRP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@H](C)c2cccc(OC)c2)CC1 ZINC000177295043 426463856 /nfs/dbraw/zinc/46/38/56/426463856.db2.gz MJEKMJRDEBTZEY-IAGOWNOFSA-N 2 0 319.493 2.619 20 0 DFADRP COCC[C@H](C)[NH2+]Cc1ccc(C[NH+]2C[C@H](C)O[C@@H](C)C2)cc1 ZINC000124186857 426474690 /nfs/dbraw/zinc/47/46/90/426474690.db2.gz IURAHLYZMCSEFC-ULQDDVLXSA-N 2 0 320.477 2.810 20 0 DFADRP Cc1ccc([C@H](C)[NH2+]CC2CC[NH+](CCN(C)C)CC2)s1 ZINC000124320385 426480204 /nfs/dbraw/zinc/48/02/04/426480204.db2.gz RBNOAUKHBIIZGL-HNNXBMFYSA-N 2 0 309.523 2.981 20 0 DFADRP COC(=O)C[C@@H]1CC[C@@H]([NH2+]Cc2cccc(C[NH+](C)C)c2)[C@@H]1C ZINC000280161690 426509338 /nfs/dbraw/zinc/50/93/38/426509338.db2.gz FQRBARLHPNCABI-FHLIZLRMSA-N 2 0 318.461 2.816 20 0 DFADRP CCCC[N@H+](C)CC1CC[NH+]([C@H]2CCCN(C(C)C)C2=O)CC1 ZINC000177721766 426510628 /nfs/dbraw/zinc/51/06/28/426510628.db2.gz ORZSMPVHWMJXRV-SFHVURJKSA-N 2 0 323.525 2.830 20 0 DFADRP C[C@@H](NC(=O)C[NH+]1CCC(C)CC1)[C@@H](c1ccccc1)[NH+](C)C ZINC000186484207 426537598 /nfs/dbraw/zinc/53/75/98/426537598.db2.gz IDKZOVDIVKCBEO-APWZRJJASA-N 2 0 317.477 2.526 20 0 DFADRP C/C=C/C[C@@H](CO)[NH2+][C@@H](C)c1cccc(OCC[NH+](C)C)c1 ZINC000186491750 426538208 /nfs/dbraw/zinc/53/82/08/426538208.db2.gz WGVLVCPONYWKJS-KAWBWNIXSA-N 2 0 306.450 2.605 20 0 DFADRP Cc1ccc2c(c1)[C@@H]([NH2+][C@H](C)CCN1CC[NH+](C)CC1)CCC2 ZINC000186575517 426555266 /nfs/dbraw/zinc/55/52/66/426555266.db2.gz BCPXRLBSLDTZFK-XLIONFOSSA-N 2 0 315.505 2.988 20 0 DFADRP CC[C@@H]([NH2+][C@H](C)CCN1CC[NH+](C)CC1)c1ccccc1OC ZINC000186581353 426555383 /nfs/dbraw/zinc/55/53/83/426555383.db2.gz NDUBQXKZEBQIIR-SJLPKXTDSA-N 2 0 319.493 2.762 20 0 DFADRP Cc1ccncc1CNc1ccc(N2CC[C@@H]([NH+](C)C)C2)cn1 ZINC000280326781 426550132 /nfs/dbraw/zinc/55/01/32/426550132.db2.gz PSQVBQDZULXEEZ-QGZVFWFLSA-N 2 0 311.433 2.537 20 0 DFADRP C[C@@H]([NH2+]CCCC[NH+](C)C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272537097 426550529 /nfs/dbraw/zinc/55/05/29/426550529.db2.gz RKEXHCJGBHPZPY-MJGOQNOKSA-N 3 0 303.494 2.828 20 0 DFADRP Cc1cccc([C@@H](C)[NH2+][C@@H](C)CCN2CC[NH+](C)CC2)c1C ZINC000186563536 426553453 /nfs/dbraw/zinc/55/34/53/426553453.db2.gz IVDWFWIQXMQUKQ-FUHWJXTLSA-N 2 0 303.494 2.980 20 0 DFADRP C[C@H](CN[C@H](c1ncc[nH]1)c1cccnc1)C[NH+]1CCCCC1 ZINC000194991924 426498082 /nfs/dbraw/zinc/49/80/82/426498082.db2.gz RAQYOKICMNHABZ-WBVHZDCISA-N 2 0 313.449 2.606 20 0 DFADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1NC[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000195137433 426501889 /nfs/dbraw/zinc/50/18/89/426501889.db2.gz CZNOMDNXQHVUSZ-JYBIWHBTSA-N 3 0 315.505 2.827 20 0 DFADRP C[C@@H]1C[C@@H](NC[C@@H]2CC[NH+](Cc3ccccc3)C2)CC[N@@H+]1C ZINC000195135943 426501937 /nfs/dbraw/zinc/50/19/37/426501937.db2.gz XQICSZKVXIJUAK-NEWSRXKRSA-N 2 0 301.478 2.581 20 0 DFADRP COc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+][C@@H](C)CC[NH+](C)C)CC3 ZINC000273111132 426595196 /nfs/dbraw/zinc/59/51/96/426595196.db2.gz WIVXYELOPZIQAE-UONOGXRCSA-N 2 0 315.461 2.964 20 0 DFADRP Cc1cccc(C[NH+]2CCC(C[NH+]3CCN(C)CC3)CC2)c1C ZINC000289189752 426600313 /nfs/dbraw/zinc/60/03/13/426600313.db2.gz BGVPBAXTVWNTDU-UHFFFAOYSA-N 2 0 315.505 2.763 20 0 DFADRP Cc1ccccc1[C@@H](C)[NH2+]Cc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000178327806 426605863 /nfs/dbraw/zinc/60/58/63/426605863.db2.gz DZVITSINTWYRRO-QGZVFWFLSA-N 2 0 324.472 2.993 20 0 DFADRP C[C@@H](CCN1CC[NH+](C)CC1)[NH2+][C@@H]1CCCc2cc(F)ccc21 ZINC000186586111 426556178 /nfs/dbraw/zinc/55/61/78/426556178.db2.gz BBHBNBKWPJWJNR-HNAYVOBHSA-N 2 0 319.468 2.819 20 0 DFADRP CC[NH+]1CCN([C@H](C)C[NH2+][C@H](Cc2ccccc2)C(C)C)CC1 ZINC000187003880 426620288 /nfs/dbraw/zinc/62/02/88/426620288.db2.gz IKQNMYVAMYWAKW-UYAOXDASSA-N 2 0 317.521 2.869 20 0 DFADRP CCC[N@H+](CC)Cc1ccc(C(=O)N2C[C@@H](C)[NH2+]C[C@@H]2C)cc1 ZINC000272560676 426559061 /nfs/dbraw/zinc/55/90/61/426559061.db2.gz NRAGFUQEPSASNH-CVEARBPZSA-N 2 0 317.477 2.741 20 0 DFADRP C[C@@H]1C[NH+](CCCC[NH2+][C@@H]2CC(C)(C)OC2(C)C)C[C@@H](C)O1 ZINC000178040159 426561402 /nfs/dbraw/zinc/56/14/02/426561402.db2.gz JIIXRNJXOTYWIX-BZUAXINKSA-N 2 0 312.498 2.812 20 0 DFADRP Cc1ccncc1CCC[N@@H+]1CCCN(CC(F)(F)F)CC1 ZINC000288979646 426561779 /nfs/dbraw/zinc/56/17/79/426561779.db2.gz CHDCBOPXDIKXIN-UHFFFAOYSA-N 2 0 315.383 2.893 20 0 DFADRP C[C@@H](C[NH2+]C1CC[NH+](C2CCCCC2)CC1)Cn1ccnc1 ZINC000178049988 426562123 /nfs/dbraw/zinc/56/21/23/426562123.db2.gz QYDFTWFEXWKRJD-INIZCTEOSA-N 2 0 304.482 2.906 20 0 DFADRP CC[C@H](C)NC(=O)C[NH+]1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000178388699 426620486 /nfs/dbraw/zinc/62/04/86/426620486.db2.gz UWTSXWOOSUHADI-IRXDYDNUSA-N 2 0 323.525 2.878 20 0 DFADRP [NH3+]C1CCC([NH2+]CCc2ccc(Br)s2)CC1 ZINC000226375816 426620521 /nfs/dbraw/zinc/62/05/21/426620521.db2.gz OQTMIOWFIZOXKT-UHFFFAOYSA-N 2 0 303.269 2.913 20 0 DFADRP Cc1nn(C)c(C)c1CN1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000280392664 426564173 /nfs/dbraw/zinc/56/41/73/426564173.db2.gz KKKGHMINFLFANY-KDURUIRLSA-N 2 0 324.472 2.601 20 0 DFADRP C[N@@H+]1CCC[C@H]1CC[NH+]1CCC(C(=O)Nc2ccccc2)CC1 ZINC000178442001 426631805 /nfs/dbraw/zinc/63/18/05/426631805.db2.gz PHTZFGQOZCURLR-SFHVURJKSA-N 2 0 315.461 2.821 20 0 DFADRP [NH3+][C@@H]1CCC[C@H]2CN(Cc3coc(-c4cccs4)n3)C[C@H]21 ZINC000228474085 426633197 /nfs/dbraw/zinc/63/31/97/426633197.db2.gz KDPNETIEHZOITE-IACUBPJLSA-N 2 0 303.431 2.962 20 0 DFADRP CC[C@@H](C(=O)Nc1ccc(CC[NH+](C)C)cc1)[NH+](CC)CC ZINC000265432820 426635767 /nfs/dbraw/zinc/63/57/67/426635767.db2.gz CPSWTOIYKXDAOC-KRWDZBQOSA-N 2 0 305.466 2.850 20 0 DFADRP Cn1cncc1CC[N@@H+]1CCC[C@H]1c1nc2ccccc2n1C ZINC000290072594 426686297 /nfs/dbraw/zinc/68/62/97/426686297.db2.gz QBGYZKXYDSUGGM-KRWDZBQOSA-N 2 0 309.417 2.686 20 0 DFADRP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](Cc3cc(Cl)cc4c3OCC4)C[C@@H]21 ZINC000230131197 426643790 /nfs/dbraw/zinc/64/37/90/426643790.db2.gz GIOJVVAMZRFQMB-UHOFOFEASA-N 2 0 306.837 2.834 20 0 DFADRP CC(C)[NH+]1CCC(NC[C@@H](c2ccco2)[NH+]2CCCC2)CC1 ZINC000236600461 426665674 /nfs/dbraw/zinc/66/56/74/426665674.db2.gz GBZFAIQAUCMXAJ-KRWDZBQOSA-N 2 0 305.466 2.879 20 0 DFADRP C[C@@H]1C[C@H]([NH2+]CC2CC[NH+](Cc3ccccc3)CC2)CC[N@@H+]1C ZINC000178634545 426666819 /nfs/dbraw/zinc/66/68/19/426666819.db2.gz PYJONMFCDLNGBD-YLJYHZDGSA-N 3 0 315.505 2.971 20 0 DFADRP CC(C)(C)[NH+]1CCC([NH2+]C2CCN(CC(F)(F)F)CC2)CC1 ZINC000236638361 426668884 /nfs/dbraw/zinc/66/88/84/426668884.db2.gz FGZWZRIGRCVQQW-UHFFFAOYSA-N 2 0 321.431 2.866 20 0 DFADRP CC(C)C[C@H]([NH3+])C(=O)NCC1([NH+]2CCCCC2)CCCCC1 ZINC000236677932 426675612 /nfs/dbraw/zinc/67/56/12/426675612.db2.gz JEWATVPWAORYEB-INIZCTEOSA-N 2 0 309.498 2.665 20 0 DFADRP CC(C)C[C@H]([NH3+])C(=O)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000236707716 426678890 /nfs/dbraw/zinc/67/88/90/426678890.db2.gz WSXFYXVPQRJTQT-SFHVURJKSA-N 2 0 317.477 2.662 20 0 DFADRP CC(C)C[C@H]([NH3+])C(=O)N[C@H]1CCN(C)[C@@H]1c1ccc(Cl)cc1 ZINC000236729346 426681251 /nfs/dbraw/zinc/68/12/51/426681251.db2.gz ZDRYXNXTJVGFRN-HRCADAONSA-N 2 0 323.868 2.575 20 0 DFADRP CCC[C@H]([NH3+])C(=O)N(C)[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000236790698 426685140 /nfs/dbraw/zinc/68/51/40/426685140.db2.gz YLYLABWWYKGKJT-SZMVWBNQSA-N 2 0 317.477 2.625 20 0 DFADRP CCCC[N@@H+]1CCCC[C@H]1CNC(=O)CCC1CC[NH2+]CC1 ZINC000236753433 426685434 /nfs/dbraw/zinc/68/54/34/426685434.db2.gz CSYJHVAASVVYFA-KRWDZBQOSA-N 2 0 309.498 2.537 20 0 DFADRP CC[N@@H+]1CCCN(c2cc[nH+]c3cc(F)c(OC)cc32)CC1 ZINC000280641119 426623212 /nfs/dbraw/zinc/62/32/12/426623212.db2.gz DKEWZJHONIQNEU-UHFFFAOYSA-N 2 0 303.381 2.915 20 0 DFADRP [NH3+][C@H]1CCCCCC[C@H]1C(=O)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000178752138 426689013 /nfs/dbraw/zinc/68/90/13/426689013.db2.gz JQTCGJKSPRDWKG-MSOLQXFVSA-N 2 0 321.509 2.761 20 0 DFADRP CC[C@H](C)[N@H+](C)CCN[C@H](c1ncc[nH]1)c1ccc(F)cc1 ZINC000187933239 426707774 /nfs/dbraw/zinc/70/77/74/426707774.db2.gz LGQISRROBBHNMK-BBRMVZONSA-N 2 0 304.413 2.958 20 0 DFADRP C[C@@H](CCNC(=O)C1(C[NH3+])CCCC1)[N@H+](C)Cc1ccccc1 ZINC000178857595 426708262 /nfs/dbraw/zinc/70/82/62/426708262.db2.gz AUKNYKGVJBZVDY-INIZCTEOSA-N 2 0 317.477 2.532 20 0 DFADRP C[C@H](CNC(=O)[C@@H](C)[C@@H]([NH3+])c1ccccc1)C[NH+]1CCCCC1 ZINC000237424952 426692088 /nfs/dbraw/zinc/69/20/88/426692088.db2.gz ZYYWFMIONKMLDV-SOLBZPMBSA-N 2 0 317.477 2.561 20 0 DFADRP C[C@H]([NH2+]CCN1CC=CCC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000280950695 426692855 /nfs/dbraw/zinc/69/28/55/426692855.db2.gz JRKXKTANFHKBBB-AZUAARDMSA-N 2 0 313.489 2.749 20 0 DFADRP C[C@@H]([NH2+][C@@H](CO)C1CCCC1)c1ccc(OCC[NH+](C)C)cc1 ZINC000290112130 426696097 /nfs/dbraw/zinc/69/60/97/426696097.db2.gz ITNOWVALWQYDJI-BEFAXECRSA-N 2 0 320.477 2.829 20 0 DFADRP CO[C@H](C)[C@@H](C)[NH2+][C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000290145216 426702022 /nfs/dbraw/zinc/70/20/22/426702022.db2.gz KYBJVUJHGOXVDX-VKSUQKOCSA-N 2 0 302.462 2.910 20 0 DFADRP CC[C@@H](C(=O)NC[C@H](c1cccs1)[NH+](C)C)[NH+](CC)CC ZINC000266728615 426770236 /nfs/dbraw/zinc/77/02/36/426770236.db2.gz NYBIGBFBQMYKIS-UONOGXRCSA-N 2 0 311.495 2.587 20 0 DFADRP CC(C)[NH+]1CCC([NH2+]C[C@@]2(O)CCC[C@H](C(F)(F)F)C2)CC1 ZINC000188625144 426770272 /nfs/dbraw/zinc/77/02/72/426770272.db2.gz TWRBQTHKSFCKMX-DZGCQCFKSA-N 2 0 322.415 2.932 20 0 DFADRP Cc1ccc(C)c2c1CCC[C@@H]2[NH2+]CC1CC[NH+](CCO)CC1 ZINC000179423963 426787357 /nfs/dbraw/zinc/78/73/57/426787357.db2.gz LHTDFMAERLNDTA-IBGZPJMESA-N 2 0 316.489 2.975 20 0 DFADRP c1cc2c(c([C@@H]3CCC[N@H+]3CC3CC[NH2+]CC3)c1)OCCO2 ZINC000178971627 426727033 /nfs/dbraw/zinc/72/70/33/426727033.db2.gz HIAPTLLWZGAIOP-INIZCTEOSA-N 2 0 302.418 2.594 20 0 DFADRP C[C@H]1C[C@@H]([NH2+]CC2=CC[N@H+](C)CC2)CN(Cc2ccccc2)C1 ZINC000274346141 426749368 /nfs/dbraw/zinc/74/93/68/426749368.db2.gz JNHPZIRRQZSGQC-FXAWDEMLSA-N 2 0 313.489 2.749 20 0 DFADRP Cc1ccncc1CCC[N@H+]1CC[C@@H](C2CC[NH+](C)CC2)C1 ZINC000290363449 426749600 /nfs/dbraw/zinc/74/96/00/426749600.db2.gz GYQPBJLKAFRLQI-LJQANCHMSA-N 2 0 301.478 2.986 20 0 DFADRP COc1ccc(C[C@@H](C)C[NH2+]CC2=CC[N@H+](C)CC2)cc1F ZINC000274411391 426763719 /nfs/dbraw/zinc/76/37/19/426763719.db2.gz JBJLBHDJXOMWRH-CQSZACIVSA-N 2 0 306.425 2.864 20 0 DFADRP CCn1nc(C[NH2+]CCC2CC[NH+](C)CC2)c2ccccc21 ZINC000274424838 426765349 /nfs/dbraw/zinc/76/53/49/426765349.db2.gz LCBADWRSTGGEEY-UHFFFAOYSA-N 2 0 300.450 2.878 20 0 DFADRP COC(=O)c1cc(C[N@@H+]2CC[C@H](C3CC[NH+](C)CC3)C2)oc1C ZINC000290590751 426799369 /nfs/dbraw/zinc/79/93/69/426799369.db2.gz VFDJXVKTRNWOFM-HNNXBMFYSA-N 2 0 320.433 2.538 20 0 DFADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)C[C@@H]([NH3+])c2ccccc2)C1 ZINC000246222232 426810136 /nfs/dbraw/zinc/81/01/36/426810136.db2.gz BMLSHGRBQOFJJN-SOLBZPMBSA-N 2 0 317.477 2.561 20 0 DFADRP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)[C@@H]1CCCCCC[C@H]1[NH3+] ZINC000246240496 426813149 /nfs/dbraw/zinc/81/31/49/426813149.db2.gz IUHAUMOJDMYVJW-YYIAUSFCSA-N 2 0 309.498 2.521 20 0 DFADRP C[C@@H]1C[C@@H]([NH2+]C[C@H](c2ccccc2)C(C)(C)CO)CC[N@@H+]1C ZINC000246266502 426815029 /nfs/dbraw/zinc/81/50/29/426815029.db2.gz AFKIHRLDPSCWNF-BPQIPLTHSA-N 2 0 304.478 2.861 20 0 DFADRP C[C@H](Cc1ccc(Cl)cc1)[NH2+]CCN1CC[N@H+](C)C(C)(C)C1 ZINC000282046551 426819435 /nfs/dbraw/zinc/81/94/35/426819435.db2.gz AWCAJFJHUJGHCP-OAHLLOKOSA-N 2 0 323.912 2.887 20 0 DFADRP C[NH+]1CCC(C[NH2+]Cc2cnn(Cc3ccc(F)cc3)c2)CC1 ZINC000189150711 426824676 /nfs/dbraw/zinc/82/46/76/426824676.db2.gz PVBYWJHUFBMXHX-UHFFFAOYSA-N 2 0 316.424 2.502 20 0 DFADRP c1cc(N2CCN(CCC[NH2+][C@H]3CCC34CCC4)CC2)cc[nH+]1 ZINC000282086966 426826837 /nfs/dbraw/zinc/82/68/37/426826837.db2.gz HYPXQPPETFWTTL-SFHVURJKSA-N 2 0 314.477 2.516 20 0 DFADRP CC[N@@H+]1CC[C@@H]([NH2+]CCc2nnc(-c3ccccc3)o2)[C@@H](C)C1 ZINC000246373504 426826783 /nfs/dbraw/zinc/82/67/83/426826783.db2.gz JMQOTWCQEZLPGE-GOEBONIOSA-N 2 0 314.433 2.599 20 0 DFADRP CCO[C@@H](CC[NH+](C)C)C[NH2+]Cc1cc(F)cc(Cl)c1 ZINC000274945857 426857745 /nfs/dbraw/zinc/85/77/45/426857745.db2.gz CLLGBGFBTQBBIW-HNNXBMFYSA-N 2 0 302.821 2.926 20 0 DFADRP C[N@@H+]1CCC[C@H]1CNC1C[C@H]2CC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC000180115211 426835765 /nfs/dbraw/zinc/83/57/65/426835765.db2.gz QGKRXWPERKMZBT-NXEWRWPSSA-N 2 0 313.489 2.866 20 0 DFADRP CC[NH+]1CCN([C@H](C)C[NH2+][C@@H]2c3cc(C)ccc3C[C@@H]2C)CC1 ZINC000180119958 426838698 /nfs/dbraw/zinc/83/86/98/426838698.db2.gz VPJUKBCIQIGSSF-QKLQHJQFSA-N 2 0 315.505 2.844 20 0 DFADRP CCC[C@H]([NH2+]CCN1CC[N@H+](C)C(C)(C)C1)c1cccnc1 ZINC000282156112 426841852 /nfs/dbraw/zinc/84/18/52/426841852.db2.gz DBHUOQZIDWVGHJ-KRWDZBQOSA-N 2 0 304.482 2.538 20 0 DFADRP C[C@@H]1CCCC[N@@H+]1Cc1ccc(NC(=O)[C@H]2CCC[NH2+]C2)cc1 ZINC000246542550 426842957 /nfs/dbraw/zinc/84/29/57/426842957.db2.gz SMPOSSKKDUSWPX-WBVHZDCISA-N 2 0 315.461 2.999 20 0 DFADRP C[C@H](CNC(=O)[C@H]1CCCCCC[C@H]1[NH3+])[NH+]1CCC(C)CC1 ZINC000246544872 426843261 /nfs/dbraw/zinc/84/32/61/426843261.db2.gz SOMXIKGBCNREDA-IXDOHACOSA-N 2 0 309.498 2.521 20 0 DFADRP C[NH2+]C[C@@H](C)C(=O)NCc1ccccc1C[N@@H+]1CCCC[C@H]1C ZINC000246538715 426843289 /nfs/dbraw/zinc/84/32/89/426843289.db2.gz SIOOCALZYRIRRB-HZPDHXFCSA-N 2 0 317.477 2.533 20 0 DFADRP Nc1ncccc1CN1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000295166396 426847397 /nfs/dbraw/zinc/84/73/97/426847397.db2.gz HSCRHZKBDPSMFJ-FQEVSTJZSA-N 2 0 322.456 2.762 20 0 DFADRP C[N@@H+]1CCN(CC[NH2+]Cc2ccc(Cl)c(F)c2)CC1(C)C ZINC000282218079 426856067 /nfs/dbraw/zinc/85/60/67/426856067.db2.gz DTIVABRBJZFZRS-UHFFFAOYSA-N 2 0 313.848 2.595 20 0 DFADRP C[C@H](NCC(C)(C)[NH+](C)C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000274888849 426856581 /nfs/dbraw/zinc/85/65/81/426856581.db2.gz JAMFBFSMAYBCDZ-WMZOPIPTSA-N 2 0 303.494 2.827 20 0 DFADRP O[C@H](C[NH+]1CCC[C@H]2CCC[C@@H]21)C[N@@H+]1CCC[C@@H]2CCC[C@@H]21 ZINC000246016543 426791740 /nfs/dbraw/zinc/79/17/40/426791740.db2.gz UKVPWJUNWRTQRK-PJVZLEMVSA-N 2 0 306.494 2.876 20 0 DFADRP C[C@H](C[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1)c1nc(-c2ccccc2)no1 ZINC000179478750 426793359 /nfs/dbraw/zinc/79/33/59/426793359.db2.gz ODYGXZAEVYLAML-IIAWOOMASA-N 2 0 314.433 2.912 20 0 DFADRP CC(C)C[C@H](C)C[NH2+]Cc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000281932525 426796111 /nfs/dbraw/zinc/79/61/11/426796111.db2.gz IFDNRHCOYBLQTR-INIZCTEOSA-N 2 0 304.482 2.605 20 0 DFADRP CC[N@@H+]1CC[C@@H]([NH2+]CCc2ccc(-n3cccn3)cc2)[C@@H](C)C1 ZINC000247224827 426918455 /nfs/dbraw/zinc/91/84/55/426918455.db2.gz XWVLVHQHKVBVLR-QFBILLFUSA-N 2 0 312.461 2.735 20 0 DFADRP C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2[NH2+]1 ZINC000246731283 426859973 /nfs/dbraw/zinc/85/99/73/426859973.db2.gz YIJLPRNYAFTYRX-BDXSIMOUSA-N 2 0 321.509 2.678 20 0 DFADRP C[N@@H+]1CCN(CC[NH2+]Cc2cccc3ccccc32)CC1(C)C ZINC000282235677 426860243 /nfs/dbraw/zinc/86/02/43/426860243.db2.gz FUBWQGFJLVKYPM-UHFFFAOYSA-N 2 0 311.473 2.955 20 0 DFADRP CC(C)(C[N@@H+]1CC[C@@H](CN2CCOCC2)C1)c1ccccc1 ZINC000180453326 426862590 /nfs/dbraw/zinc/86/25/90/426862590.db2.gz FRIKSJUQGMSZFZ-KRWDZBQOSA-N 2 0 302.462 2.618 20 0 DFADRP COCCC[NH+]1CCC([NH2+][C@H]2CCCc3c(O)cccc32)CC1 ZINC000291343702 426884196 /nfs/dbraw/zinc/88/41/96/426884196.db2.gz WSBWMNGZQZFZNM-SFHVURJKSA-N 2 0 318.461 2.860 20 0 DFADRP CC[C@H](C(=O)N1CCC(CCC[NH+](CC)CC)CC1)[NH+](C)C ZINC000180757607 426885491 /nfs/dbraw/zinc/88/54/91/426885491.db2.gz MGBQLBBWIHXTBQ-QGZVFWFLSA-N 2 0 311.514 2.687 20 0 DFADRP C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)c1sccc1CN(C)C ZINC000268042586 426897968 /nfs/dbraw/zinc/89/79/68/426897968.db2.gz QMRVSRXRKDCGEF-UONOGXRCSA-N 2 0 323.506 2.660 20 0 DFADRP C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)c1sccc1CN(C)C ZINC000268042588 426898862 /nfs/dbraw/zinc/89/88/62/426898862.db2.gz QMRVSRXRKDCGEF-ZIAGYGMSSA-N 2 0 323.506 2.660 20 0 DFADRP CC1CC[NH+](CCCNC(=O)c2sccc2C[NH+](C)C)CC1 ZINC000268073589 426904956 /nfs/dbraw/zinc/90/49/56/426904956.db2.gz DGAPAFRGKJZDEF-UHFFFAOYSA-N 2 0 323.506 2.662 20 0 DFADRP C[C@H]1C[C@H](N[C@H]2C[C@@H](C)[NH+](C)C[C@H]2C)C[N@@H+]1Cc1ccccc1 ZINC000247139839 426906552 /nfs/dbraw/zinc/90/65/52/426906552.db2.gz QTIYVGYNRMSCCF-JOMPHRNESA-N 2 0 315.505 2.968 20 0 DFADRP Cc1ccc2c(c1)[C@H]([NH2+]CCN1CC[N@@H+](C)C(C)(C)C1)CC2 ZINC000282415068 426906655 /nfs/dbraw/zinc/90/66/55/426906655.db2.gz SIEFTEPXXFIQCR-GOSISDBHSA-N 2 0 301.478 2.598 20 0 DFADRP C[C@H](O)C[C@H](C[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccccc1 ZINC000305272966 426907096 /nfs/dbraw/zinc/90/70/96/426907096.db2.gz AJSFBQOEFUODLU-NQYYFHDYSA-N 2 0 302.462 2.758 20 0 DFADRP CC(C)(C)OC1CC([NH2+]C2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)C1 ZINC000305866828 426914184 /nfs/dbraw/zinc/91/41/84/426914184.db2.gz ZVYGECHYPIKLLM-FOIPXRHGSA-N 2 0 324.509 2.690 20 0 DFADRP CC(C)C[N@@H+]1CC[C@H](CNC(=O)c2sccc2C[NH+](C)C)C1 ZINC000268224065 426955720 /nfs/dbraw/zinc/95/57/20/426955720.db2.gz PBWSSTYEPACNQO-CQSZACIVSA-N 2 0 323.506 2.517 20 0 DFADRP C[C@@H](C[NH2+]Cc1cccc(OCC(F)(F)F)c1)C[NH+](C)C ZINC000291707598 426959432 /nfs/dbraw/zinc/95/94/32/426959432.db2.gz KWJYMVKSCMMBTE-LBPRGKRZSA-N 2 0 304.356 2.915 20 0 DFADRP C[C@H](C[NH2+]Cc1cccc(OCC(F)(F)F)c1)C[NH+](C)C ZINC000291707597 426960235 /nfs/dbraw/zinc/96/02/35/426960235.db2.gz KWJYMVKSCMMBTE-GFCCVEGCSA-N 2 0 304.356 2.915 20 0 DFADRP C[C@H](CC[NH2+]CCCc1cnn(C)c1)[N@H+](C)Cc1ccccc1 ZINC000314451061 426929356 /nfs/dbraw/zinc/92/93/56/426929356.db2.gz GEPYDLIDUFIIGB-QGZVFWFLSA-N 2 0 314.477 2.853 20 0 DFADRP Cc1ccc([C@H](CCn2cncn2)[NH2+]CCCC[NH+](C)C)cc1 ZINC000275841667 426931220 /nfs/dbraw/zinc/93/12/20/426931220.db2.gz JJFZLXTVOKGEOC-SFHVURJKSA-N 2 0 315.465 2.649 20 0 DFADRP CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)c1sccc1C[NH+](C)C ZINC000268183744 426942251 /nfs/dbraw/zinc/94/22/51/426942251.db2.gz WOYWSSYAZUCHFS-OAHLLOKOSA-N 2 0 323.506 2.756 20 0 DFADRP CCC[C@H](C(=O)NC[C@@H](c1ccccc1)[NH+](CC)CC)[NH+](C)C ZINC000337950633 427057260 /nfs/dbraw/zinc/05/72/60/427057260.db2.gz ZXCACDOZWZFEFV-MSOLQXFVSA-N 2 0 319.493 2.916 20 0 DFADRP C[C@H]1C[C@H](NCc2cccc(OCC[NH+](C)C)c2)c2nccn21 ZINC000296054587 427060494 /nfs/dbraw/zinc/06/04/94/427060494.db2.gz RIVDXLIWPCKCHS-YOEHRIQHSA-N 2 0 314.433 2.619 20 0 DFADRP C[N@@H+]1CCC[C@@H]2C[NH+](CCCCC(=O)OC(C)(C)C)CC[C@@H]21 ZINC000182028189 427010241 /nfs/dbraw/zinc/01/02/41/427010241.db2.gz ACUPIHGVBNNMEG-CVEARBPZSA-N 2 0 310.482 2.915 20 0 DFADRP C[C@H]1C[C@@H]([N@H+](C)CCCc2ccc3c(c2)CCO3)CCN1C ZINC000190052909 427010636 /nfs/dbraw/zinc/01/06/36/427010636.db2.gz MQJAXCCQFSPXAL-YJBOKZPZSA-N 2 0 302.462 2.969 20 0 DFADRP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]CCC(C)(C)O ZINC000276284868 427026951 /nfs/dbraw/zinc/02/69/51/427026951.db2.gz UQKCTVRZGBXIFN-VQFNDLOPSA-N 2 0 304.478 2.894 20 0 DFADRP CCOC(=O)[C@@H](CC(C)C)[N@@H+]1CCC[C@@H]1Cn1ccnc1C ZINC000182216422 427029107 /nfs/dbraw/zinc/02/91/07/427029107.db2.gz UCBXKQOQFJXCIX-HZPDHXFCSA-N 2 0 307.438 2.634 20 0 DFADRP CC[C@@H]1CN(c2cc[nH+]c3ccc(C)cc32)CC[N@@H+]1C[C@H](C)O ZINC000248708253 427034238 /nfs/dbraw/zinc/03/42/38/427034238.db2.gz BCQILKNKXMDCTI-JKSUJKDBSA-N 2 0 313.445 2.825 20 0 DFADRP OC(C[NH+]1CCC[C@H]1C1CCC1)C[N@@H+]1CCC[C@H]1C1CCC1 ZINC000248727601 427034275 /nfs/dbraw/zinc/03/42/75/427034275.db2.gz IYQQASCIZYTHMT-OALUTQOASA-N 2 0 306.494 2.876 20 0 DFADRP C[C@H](C1CC1)[NH+](CC(O)C[N@@H+]([C@H](C)C1CC1)C1CC1)C1CC1 ZINC000248734869 427037258 /nfs/dbraw/zinc/03/72/58/427037258.db2.gz MRDGBIXUBYADJC-ZIAGYGMSSA-N 2 0 306.494 2.873 20 0 DFADRP C[C@@H](CCNC(=O)c1ccc(C[NH+](C)C)cc1)[NH+]1CCCCC1 ZINC000182249029 427039658 /nfs/dbraw/zinc/03/96/58/427039658.db2.gz GSWLFBSMEUGYCU-INIZCTEOSA-N 2 0 317.477 2.743 20 0 DFADRP C[C@@H]1C[N@@H+](CC2CCN(Cc3ccc(F)cn3)CC2)C[C@H](C)O1 ZINC000276393798 427054552 /nfs/dbraw/zinc/05/45/52/427054552.db2.gz SGVQKJCDSXHZKV-GASCZTMLSA-N 2 0 321.440 2.542 20 0 DFADRP C[NH+](C)CCc1ccc(NC(=O)C[C@@H]2CCCC[C@@H]2[NH3+])cc1 ZINC000296089077 427073123 /nfs/dbraw/zinc/07/31/23/427073123.db2.gz RCJKJXCFXOHEHG-RDJZCZTQSA-N 2 0 303.450 2.637 20 0 DFADRP CCC[N@H+](C)C[C@H]1CC[NH+](C[C@H](O)CCc2ccccc2)C1 ZINC000182437169 427075451 /nfs/dbraw/zinc/07/54/51/427075451.db2.gz YDFGPSOEFIFEMV-RTBURBONSA-N 2 0 304.478 2.644 20 0 DFADRP FCCC[C@@H]1CCC[C@H]1[NH2+]C1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000337991954 427079491 /nfs/dbraw/zinc/07/94/91/427079491.db2.gz QBBPWXKVZVUUPA-SOLBZPMBSA-N 2 0 312.473 2.995 20 0 DFADRP CC[C@H](NCc1cccc(OCC[NH+](C)C)c1)c1nccn1C ZINC000182488063 427084091 /nfs/dbraw/zinc/08/40/91/427084091.db2.gz XLVSTQGHRCVEPG-KRWDZBQOSA-N 2 0 316.449 2.601 20 0 DFADRP C[N@@H+]1CCCN(CCC[NH2+][C@H]2CCC[C@H](C(F)(F)F)C2)CC1 ZINC000249083137 427085583 /nfs/dbraw/zinc/08/55/83/427085583.db2.gz AUSHVGANJJFQNA-GJZGRUSLSA-N 2 0 321.431 2.725 20 0 DFADRP CC(C)[C@H](C[NH2+][C@@H]1CCC[C@H]1CCCF)N1CC[NH+](C)CC1 ZINC000337999597 427085673 /nfs/dbraw/zinc/08/56/73/427085673.db2.gz WDDSWVLUZIOJQW-KSZLIROESA-N 2 0 313.505 2.766 20 0 DFADRP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@@H]1CC[C@@H](Cc2ccccc2)C1 ZINC000249118580 427088498 /nfs/dbraw/zinc/08/84/98/427088498.db2.gz OWNBAJJWVYWJSV-YZGWKJHDSA-N 2 0 315.505 2.623 20 0 DFADRP Cn1ccc(C[NH2+]Cc2ccc(OC3CC[NH+](C)CC3)cc2)c1 ZINC000283909903 427098510 /nfs/dbraw/zinc/09/85/10/427098510.db2.gz IEGIGBQIJRZCOU-UHFFFAOYSA-N 2 0 313.445 2.788 20 0 DFADRP C[C@@H]1CCC[N@H+](CC(=O)NC[C@H](c2ccccc2)[NH+](C)C)[C@H]1C ZINC000249277184 427100401 /nfs/dbraw/zinc/10/04/01/427100401.db2.gz DMEQJDDXWOIUEM-SOLBZPMBSA-N 2 0 317.477 2.526 20 0 DFADRP C[C@@H](C(=O)NCCC[NH+]1CCCCCC1)[NH+]1[C@H](C)CC[C@H]1C ZINC000338029773 427101326 /nfs/dbraw/zinc/10/13/26/427101326.db2.gz OYLFRQURXYACRH-ZACQAIPSSA-N 2 0 309.498 2.630 20 0 DFADRP CCN1CCC[C@@H]1C[NH2+][C@@H](C)c1cccc(N2CCOCC2)c1 ZINC000268725773 427102658 /nfs/dbraw/zinc/10/26/58/427102658.db2.gz MDLFCZGYBOUGAH-QFBILLFUSA-N 2 0 317.477 2.658 20 0 DFADRP CC(C)[NH+]1CCN(CCC[N@@H+]2C[C@@H](C)[C@@H]3CCCC[C@@H]32)CC1 ZINC000249297991 427104610 /nfs/dbraw/zinc/10/46/10/427104610.db2.gz RMSOVXWODOKRKQ-QYZOEREBSA-N 2 0 307.526 2.913 20 0 DFADRP C[C@@H]1CN(Cc2ccccc2)CC[C@H]1[NH2+]CCCn1cccn1 ZINC000268734645 427106807 /nfs/dbraw/zinc/10/68/07/427106807.db2.gz DBITURAZUVMRTR-IEBWSBKVSA-N 2 0 312.461 2.773 20 0 DFADRP C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1[NH2+]CCCn1cccn1 ZINC000268734647 427107461 /nfs/dbraw/zinc/10/74/61/427107461.db2.gz DBITURAZUVMRTR-MJGOQNOKSA-N 2 0 312.461 2.773 20 0 DFADRP C[C@H]([NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccc2c(c1)CCC(=O)N2 ZINC000268765807 427108890 /nfs/dbraw/zinc/10/88/90/427108890.db2.gz JCQFWHBJUZPDNR-XKQJLSEDSA-N 2 0 313.445 2.849 20 0 DFADRP CC[C@@H]1[C@H](C)CC[N@@H+]1CC(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000249396740 427112050 /nfs/dbraw/zinc/11/20/50/427112050.db2.gz BCFAUGFMCGJSPX-KBAYOESNSA-N 2 0 317.477 2.526 20 0 DFADRP Cc1ncsc1CN(C)C[C@H]1CC[N@H+](Cc2cccnc2)C1 ZINC000190457376 427113990 /nfs/dbraw/zinc/11/39/90/427113990.db2.gz JBBMLQWKIRGCDO-MRXNPFEDSA-N 2 0 316.474 2.800 20 0 DFADRP COCC[N@H+](C)CCC[NH2+][C@H](C)[C@H](C)c1ccc(OC)cc1 ZINC000268790972 427114135 /nfs/dbraw/zinc/11/41/35/427114135.db2.gz CZPNLEROKAVXGQ-JKSUJKDBSA-N 2 0 308.466 2.745 20 0 DFADRP C[C@H](N[C@@H]1CC[N@@H+]2CCCC[C@@H]12)c1ccc(-n2cncn2)cc1 ZINC000268796224 427118459 /nfs/dbraw/zinc/11/84/59/427118459.db2.gz WRUVVKHWOHSHKT-QGTPRVQTSA-N 2 0 311.433 2.545 20 0 DFADRP CNC(=O)C[C@H](C)[NH2+]Cc1cccc(C[NH+]2CCC(C)CC2)c1 ZINC000268927106 427139791 /nfs/dbraw/zinc/13/97/91/427139791.db2.gz YDFCDXNHZAQGGP-INIZCTEOSA-N 2 0 317.477 2.533 20 0 DFADRP CC[NH+](CC)CCCC1CC[NH+](CC(=O)NCC2CCC2)CC1 ZINC000182767517 427142169 /nfs/dbraw/zinc/14/21/69/427142169.db2.gz ZSXSZXOXEPBKCQ-UHFFFAOYSA-N 2 0 323.525 2.737 20 0 DFADRP CCC[C@@H]([NH2+]CC1(O)CC[NH+](C)CC1)c1ccc(OC)cc1 ZINC000268981759 427142335 /nfs/dbraw/zinc/14/23/35/427142335.db2.gz KTWSLVFOTFPXLR-QGZVFWFLSA-N 2 0 306.450 2.583 20 0 DFADRP C[NH+]1CCC(O)(C[NH2+][C@@H]2CCCC[C@H]2c2ccccc2)CC1 ZINC000269003508 427144747 /nfs/dbraw/zinc/14/47/47/427144747.db2.gz PWOALCGTZUHLDT-ZWKOTPCHSA-N 2 0 302.462 2.759 20 0 DFADRP CC(C)[C@@H]([NH3+])C(=O)NCc1ccccc1C[N@@H+]1CCCC[C@@H]1C ZINC000269237016 427151823 /nfs/dbraw/zinc/15/18/23/427151823.db2.gz NKZGIWHXJWDMQS-MAUKXSAKSA-N 2 0 317.477 2.661 20 0 DFADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+][C@H]2CCc3ccc(C)cc32)CC1 ZINC000121312041 271023026 /nfs/dbraw/zinc/02/30/26/271023026.db2.gz LNWQVROWUPPFSQ-PXNSSMCTSA-N 2 0 315.505 2.846 20 0 DFADRP C[C@H](C(=O)NCC[N@H+](C)C1CCCCC1)[C@@H]([NH3+])c1ccccc1 ZINC000165005788 271094519 /nfs/dbraw/zinc/09/45/19/271094519.db2.gz URWPHYXLILXWHM-MAUKXSAKSA-N 2 0 317.477 2.703 20 0 DFADRP C[C@H]1CCC[C@H](CC[NH+]2CCC(C(=O)NCC[NH+](C)C)CC2)C1 ZINC000177050738 271173196 /nfs/dbraw/zinc/17/31/96/271173196.db2.gz RJEQSJUTUBAJIS-DLBZAZTESA-N 2 0 323.525 2.593 20 0 DFADRP C[C@@H]([NH2+]CC1(C)OCCCO1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000277335383 427168146 /nfs/dbraw/zinc/16/81/46/427168146.db2.gz UPKGTVSJFMWRPJ-AEFFLSMTSA-N 2 0 318.461 2.640 20 0 DFADRP CSc1ccccc1[C@H](C)[NH2+]C[C@@H](C)CN1CC[NH+](C)CC1 ZINC000194882781 271229700 /nfs/dbraw/zinc/22/97/00/271229700.db2.gz MAXHUXFVIAWVGE-CVEARBPZSA-N 2 0 321.534 2.943 20 0 DFADRP CSc1ccccc1[C@H](C)[NH2+][C@@H](C)CN1CC[NH+](C)CC1 ZINC000194886889 271229872 /nfs/dbraw/zinc/22/98/72/271229872.db2.gz ZMDMMAJSPOFLFI-GJZGRUSLSA-N 2 0 307.507 2.695 20 0 DFADRP C[C@H](CC[NH+](C)C)[NH2+][C@H]1CCCN(C(=O)OC(C)(C)C)CC1 ZINC000227259328 271235777 /nfs/dbraw/zinc/23/57/77/271235777.db2.gz PXCWVVTXADGYSE-CABCVRRESA-N 2 0 313.486 2.706 20 0 DFADRP C[NH+](C)CCCC[NH2+][C@H]1CCCN(C(=O)OC(C)(C)C)CC1 ZINC000227260216 271236045 /nfs/dbraw/zinc/23/60/45/271236045.db2.gz LSZJQXBOPBBMAT-HNNXBMFYSA-N 2 0 313.486 2.707 20 0 DFADRP C[C@@H](CC[NH+](C)C)[NH2+]C[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000227658550 271236572 /nfs/dbraw/zinc/23/65/72/271236572.db2.gz RHWIMFZABFLCNF-LSDHHAIUSA-N 2 0 313.486 2.563 20 0 DFADRP C[NH+](C)Cc1ccc(C[NH2+]CCCNC(=O)OC(C)(C)C)cc1 ZINC000237037969 271243176 /nfs/dbraw/zinc/24/31/76/271243176.db2.gz KXMDKEWVHKPDSA-UHFFFAOYSA-N 2 0 321.465 2.753 20 0 DFADRP CC[NH+](CC)Cc1cccc(CNC(=O)C[C@@H]2CCC[C@H]2[NH3+])c1 ZINC000261615081 271268792 /nfs/dbraw/zinc/26/87/92/271268792.db2.gz AEAYELYEZPWMIK-ZWKOTPCHSA-N 2 0 317.477 2.662 20 0 DFADRP Cc1cnc(CN2CCC[C@@H](c3ncc4n3CCCC4)C2)o1 ZINC000281878946 271330521 /nfs/dbraw/zinc/33/05/21/271330521.db2.gz AGBAHVQACHOXMY-CQSZACIVSA-N 2 0 300.406 2.895 20 0 DFADRP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1ccccc1-n1ccnn1 ZINC000296404668 427171264 /nfs/dbraw/zinc/17/12/64/427171264.db2.gz KRRPPLXUSLXOTC-HNSVSWJLSA-N 2 0 311.433 2.543 20 0 DFADRP C[C@H]1C[C@@H]([NH2+]C2CCC3(CC2)c2ccccc2NC3=O)CC[NH2+]1 ZINC000333344101 271371576 /nfs/dbraw/zinc/37/15/76/271371576.db2.gz YUTKJOFFOQOZEU-RQMAVPSVSA-N 2 0 313.445 2.549 20 0 DFADRP CC1CC[NH+](CCCC[NH2+]Cc2cn(C(C)(C)C)nn2)CC1 ZINC000190773097 427177402 /nfs/dbraw/zinc/17/74/02/427177402.db2.gz CEHVVCVLZKLAAE-UHFFFAOYSA-N 2 0 307.486 2.635 20 0 DFADRP C[C@H](CCCO)C[NH2+][C@@H]1CCN(Cc2ccccc2)C[C@H]1C ZINC000296464539 427190145 /nfs/dbraw/zinc/19/01/45/427190145.db2.gz NMONENNVOMMWBH-ZHALLVOQSA-N 2 0 304.478 2.895 20 0 DFADRP OC1(CC[NH2+][C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)CCC1 ZINC000284361202 427190618 /nfs/dbraw/zinc/19/06/18/427190618.db2.gz NAMMMLKBCDAENR-GBESFXJTSA-N 2 0 314.473 2.792 20 0 DFADRP C[N@@H+]1CCC[C@]2(CC[NH+](Cc3ccc(-n4cccn4)cc3)C2)C1 ZINC000292928812 427207298 /nfs/dbraw/zinc/20/72/98/427207298.db2.gz IVHNCAXSNFJHNO-IBGZPJMESA-N 2 0 310.445 2.790 20 0 DFADRP CC(C)[NH+]1CCC(O)(C[NH2+]C/C=C/c2ccc(F)cc2)CC1 ZINC000269596694 427226894 /nfs/dbraw/zinc/22/68/94/427226894.db2.gz GOAYLKZVGBNFSR-ONEGZZNKSA-N 2 0 306.425 2.664 20 0 DFADRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@@H](C)c1cccc(F)c1F ZINC000183279943 427237704 /nfs/dbraw/zinc/23/77/04/427237704.db2.gz JWBPBFGIKUUYDH-QWHCGFSZSA-N 2 0 300.393 2.972 20 0 DFADRP C[N@H+](CC1CC1)C[C@H]1CC[NH+](CCCO[C@H]2CCCCO2)C1 ZINC000338318744 427255545 /nfs/dbraw/zinc/25/55/45/427255545.db2.gz RIDGJHWSNVNZTE-MSOLQXFVSA-N 2 0 310.482 2.583 20 0 DFADRP C(CO[C@@H]1CCCCO1)C[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000338314193 427255930 /nfs/dbraw/zinc/25/59/30/427255930.db2.gz IKUZNTIVMNGUTF-QZTJIDSGSA-N 2 0 310.482 2.728 20 0 DFADRP CC[NH+](CC)CCCN1CCN(c2ccc(F)cc2OC)CC1 ZINC000338322447 427258880 /nfs/dbraw/zinc/25/88/80/427258880.db2.gz WAXFFLJLMBWDJG-UHFFFAOYSA-N 2 0 323.456 2.688 20 0 DFADRP COCC(C)(C)C[NH2+][C@@H](C)c1ccc(OCC[NH+](C)C)cc1 ZINC000293249333 427260070 /nfs/dbraw/zinc/26/00/70/427260070.db2.gz BNSJIFTWSNQKMU-HNNXBMFYSA-N 2 0 308.466 2.950 20 0 DFADRP c1ccc(C[N@@H+]2CC[C@@H](Nc3cc(N4CCCC4)ncn3)C2)cc1 ZINC000277616548 427261602 /nfs/dbraw/zinc/26/16/02/427261602.db2.gz BJWSLLYQAPQVRF-QGZVFWFLSA-N 2 0 323.444 2.763 20 0 DFADRP CC(C)[N@H+](C)CCC[NH2+][C@H](C)c1ccccc1-n1ccnn1 ZINC000285551638 427269370 /nfs/dbraw/zinc/26/93/70/427269370.db2.gz GQPGNTZTFZBFAD-OAHLLOKOSA-N 2 0 301.438 2.648 20 0 DFADRP CN(C)Cc1ccsc1C(=O)NC[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000277656585 427274233 /nfs/dbraw/zinc/27/42/33/427274233.db2.gz ZMEVLPODHMXAPL-HNNXBMFYSA-N 2 0 321.490 2.556 20 0 DFADRP Cc1cc2ncn(C[C@H](O)Cn3cnc4c3CCCC4)c2cc1C ZINC000297001702 427303207 /nfs/dbraw/zinc/30/32/07/427303207.db2.gz ZYFLTFWIHIOYGQ-OAHLLOKOSA-N 2 0 324.428 2.790 20 0 DFADRP C[C@@H](C[NH2+][C@@H](C)c1csc(Cl)c1)N1CC[NH+](C)CC1 ZINC000191268798 427303365 /nfs/dbraw/zinc/30/33/65/427303365.db2.gz VHACMYKITAGJRK-RYUDHWBXSA-N 2 0 301.887 2.688 20 0 DFADRP C[C@@H]([NH2+]CC1CC[NH+](CCO)CC1)c1csc(Cl)c1 ZINC000191272749 427306242 /nfs/dbraw/zinc/30/62/42/427306242.db2.gz AMERCMBUCFVOGJ-LLVKDONJSA-N 2 0 302.871 2.756 20 0 DFADRP c1cn(CCC[N@@H+]2CC[C@@]3(CC[NH+](Cc4ccccc4)C3)C2)cn1 ZINC000285747185 427326756 /nfs/dbraw/zinc/32/67/56/427326756.db2.gz YMZQJBCYDZEOIY-HXUWFJFHSA-N 2 0 324.472 2.871 20 0 DFADRP C[C@@H]1CCC[N@H+](CCCCNC(=O)[C@@H]2C[C@@H]3CCCC[C@H]3[NH2+]2)C1 ZINC000262146010 427353218 /nfs/dbraw/zinc/35/32/18/427353218.db2.gz MWCRDRKSUBWGPR-XDNAFOTISA-N 2 0 321.509 2.535 20 0 DFADRP C[C@@H]1CCN(C[C@@]2(C)CC[NH2+]C2)CC[N@@H+]1Cc1ccccc1 ZINC000261722175 427338092 /nfs/dbraw/zinc/33/80/92/427338092.db2.gz GBEPZGAFMYCOBV-MJGOQNOKSA-N 2 0 301.478 2.582 20 0 DFADRP O=C(NC[C@H]1CCC[N@H+](CC2CCCCCC2)C1)[C@H]1CCC[NH2+]1 ZINC000261890026 427343178 /nfs/dbraw/zinc/34/31/78/427343178.db2.gz NQKSPOBBWQZVST-QZTJIDSGSA-N 2 0 321.509 2.537 20 0 DFADRP C[C@@H]([NH2+]C[C@H]1CC[N@@H+](C2CC2)C1)c1ccc(C(=O)N(C)C)cc1 ZINC000293519319 427350941 /nfs/dbraw/zinc/35/09/41/427350941.db2.gz UGFZDAXQIVJSAP-HUUCEWRRSA-N 2 0 315.461 2.523 20 0 DFADRP C[C@@H]1C[C@H](c2ccccc2)[C@@H](C)[N@@H+]1C[C@H](O)CN(C)C1CC1 ZINC000296989995 427298337 /nfs/dbraw/zinc/29/83/37/427298337.db2.gz ZLYWHSVUPFJOBX-RGCFKVTRSA-N 2 0 302.462 2.708 20 0 DFADRP CN(CC[NH3+])[C@H]1CCSc2ccc(Br)cc21 ZINC000262919876 427380595 /nfs/dbraw/zinc/38/05/95/427380595.db2.gz GUECRYFWFWDDJR-NSHDSACASA-N 2 0 301.253 2.877 20 0 DFADRP COc1ccc2c(c1)C[C@@H]([NH2+]C[C@H]1CCC[N@@H+](C(C)C)C1)CO2 ZINC000297504823 427408277 /nfs/dbraw/zinc/40/82/77/427408277.db2.gz CDVQIGKTYNGREB-NVXWUHKLSA-N 2 0 318.461 2.709 20 0 DFADRP CCc1ccccc1NC(=O)C[C@H](C)[NH2+]C[C@H](C)C[NH+](C)C ZINC000293718549 427414407 /nfs/dbraw/zinc/41/44/07/427414407.db2.gz PKHRMYUTDAQWHY-GJZGRUSLSA-N 2 0 305.466 2.753 20 0 DFADRP CC(C)[N@@H+]1CCCN([C@H]2CC[NH+](Cc3ccccc3)C2)CC1 ZINC000297632879 427417198 /nfs/dbraw/zinc/41/71/98/427417198.db2.gz HYZVHAKIZXURQO-IBGZPJMESA-N 2 0 301.478 2.677 20 0 DFADRP Cn1cc([C@@H](c2cccc(F)c2)[N@H+](C)CC2CC[NH2+]CC2)cn1 ZINC000262303494 427354888 /nfs/dbraw/zinc/35/48/88/427354888.db2.gz XVUXUAWFNNRKKQ-GOSISDBHSA-N 2 0 316.424 2.580 20 0 DFADRP C[NH2+]CCC(=O)NCc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000262416584 427359919 /nfs/dbraw/zinc/35/99/19/427359919.db2.gz REEGWBHDNOQUDS-UHFFFAOYSA-N 2 0 317.477 2.677 20 0 DFADRP C[N@@H+]1CCC[C@H]1CC[NH+]1CCC(CO)(Cc2ccccc2)CC1 ZINC000277925131 427360690 /nfs/dbraw/zinc/36/06/90/427360690.db2.gz YIDLVRIMFSEDLF-IBGZPJMESA-N 2 0 316.489 2.788 20 0 DFADRP CC[NH+](CC)[C@H](CNC(=O)[C@@H]([NH3+])c1ccc(C)cc1)CC(C)C ZINC000262667923 427366785 /nfs/dbraw/zinc/36/67/85/427366785.db2.gz QFTRAXGWOCWKBH-ROUUACIJSA-N 2 0 319.493 2.868 20 0 DFADRP CC[C@H](C(=O)OC(C)(C)C)[N@@H+]1CC[C@H](CNc2ccccn2)C1 ZINC000192034322 427464849 /nfs/dbraw/zinc/46/48/49/427464849.db2.gz MVFKGXFQKCJWOI-HUUCEWRRSA-N 2 0 319.449 2.936 20 0 DFADRP Cc1ccc(NC(=O)C[C@@H](C)[NH2+]C[C@H](C)C[NH+](C)C)c(C)c1 ZINC000293874509 427474889 /nfs/dbraw/zinc/47/48/89/427474889.db2.gz YITQMZSGRQXHJP-GOEBONIOSA-N 2 0 305.466 2.808 20 0 DFADRP CC(C)c1nccn1Cc1cccc(NC(=O)[C@H](C)[C@H](C)[NH3+])c1 ZINC000192098492 427479778 /nfs/dbraw/zinc/47/97/78/427479778.db2.gz ZASCTMYRRWGESW-KGLIPLIRSA-N 2 0 314.433 2.977 20 0 DFADRP CC(C)c1nccn1Cc1cccc(NC(=O)[C@H](C)[C@@H](C)[NH3+])c1 ZINC000192098480 427479904 /nfs/dbraw/zinc/47/99/04/427479904.db2.gz ZASCTMYRRWGESW-ZIAGYGMSSA-N 2 0 314.433 2.977 20 0 DFADRP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1ccnc(N)c1 ZINC000278871985 427483517 /nfs/dbraw/zinc/48/35/17/427483517.db2.gz OEMSPDADHQYDKV-MAUKXSAKSA-N 2 0 310.445 2.664 20 0 DFADRP CC(C)CC[N@@H+]1Cc2cccc(NC(=O)[C@@H](C)[C@@H](C)[NH3+])c2C1 ZINC000192107241 427484247 /nfs/dbraw/zinc/48/42/47/427484247.db2.gz MJODTFRUUVSERK-UONOGXRCSA-N 2 0 303.450 2.970 20 0 DFADRP CCCC[N@H+](CC)Cc1cccc(CNC(=O)[C@@H](C)[C@@H](C)[NH3+])c1 ZINC000192123285 427485530 /nfs/dbraw/zinc/48/55/30/427485530.db2.gz TXVWVDRALUEXFB-JKSUJKDBSA-N 2 0 319.493 2.908 20 0 DFADRP C[NH+](C)CCN(C(=O)CC1(C[NH3+])CCCCC1)c1ccccc1 ZINC000184229478 427419956 /nfs/dbraw/zinc/41/99/56/427419956.db2.gz RXCYYCWFEXLOMT-UHFFFAOYSA-N 2 0 317.477 2.881 20 0 DFADRP CCCC[NH+]1CCN([C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000286089108 427420514 /nfs/dbraw/zinc/42/05/14/427420514.db2.gz STDOSBGQZSJDCW-LJQANCHMSA-N 2 0 301.478 2.679 20 0 DFADRP C[C@@H]1C[C@@H](CC[NH2+]C2CCN(c3cc[nH+]cc3)CC2)CCO1 ZINC000297697998 427433861 /nfs/dbraw/zinc/43/38/61/427433861.db2.gz QFOBWRPLHMJGPC-CVEARBPZSA-N 2 0 303.450 2.845 20 0 DFADRP Cc1nccn1CC[N@@H+]1C[C@H](c2ccccc2)[C@@H]2COCC[C@H]21 ZINC000286178747 427447255 /nfs/dbraw/zinc/44/72/55/427447255.db2.gz XBAFLDCNOIAEPD-CEXWTWQISA-N 2 0 311.429 2.696 20 0 DFADRP C[C@H](C[NH2+][C@H](C)[C@H]1C[C@H]1c1ccccc1)CN1CC[NH+](C)CC1 ZINC000338795535 427495668 /nfs/dbraw/zinc/49/56/68/427495668.db2.gz SCRLBOJZNFQLKF-LFGUQSLTSA-N 2 0 315.505 2.652 20 0 DFADRP CCOc1cc(C[N@H+](C)[C@H]2CC[NH+](CC)C[C@@H]2C)ccc1O ZINC000297990081 427496235 /nfs/dbraw/zinc/49/62/35/427496235.db2.gz YPRXNOLLAARTBO-HOCLYGCPSA-N 2 0 306.450 2.953 20 0 DFADRP CC1(C)OCC[C@H]1[NH2+]C[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000293956455 427501251 /nfs/dbraw/zinc/50/12/51/427501251.db2.gz ZQTRZRFYQBUZLA-QZTJIDSGSA-N 2 0 302.462 2.708 20 0 DFADRP Cc1ccc(C[NH+](C)C)cc1NC(=O)[C@H]1CCC[N@@H+]1C1CC1 ZINC000278999961 427527074 /nfs/dbraw/zinc/52/70/74/427527074.db2.gz GMHVOGXPFZQDOZ-QGZVFWFLSA-N 2 0 301.434 2.622 20 0 DFADRP CCOc1cccc(CN2CCN(c3ccnc(C)n3)CC2)c1 ZINC000184765057 427535805 /nfs/dbraw/zinc/53/58/05/427535805.db2.gz IVOQMUUBNBFYMP-UHFFFAOYSA-N 2 0 312.417 2.506 20 0 DFADRP COc1cccc([C@H](C)[NH2+]C2CC[NH+]([C@H]3CCC[C@H]3O)CC2)c1 ZINC000271449331 427540430 /nfs/dbraw/zinc/54/04/30/427540430.db2.gz DHXCRMUHDCUYBE-ZOCIIQOWSA-N 2 0 318.461 2.724 20 0 DFADRP COc1cccc([C@@H](CNC2CC[NH+](C3CC3)CC2)[NH+](C)C)c1 ZINC000298239416 427543900 /nfs/dbraw/zinc/54/39/00/427543900.db2.gz CBHKRNYMORDIKG-LJQANCHMSA-N 2 0 317.477 2.514 20 0 DFADRP c1cc(N2CCC([NH2+][C@@H]3[C@H]4CCO[C@H]4C34CCC4)CC2)cc[nH+]1 ZINC000294307419 427618183 /nfs/dbraw/zinc/61/81/83/427618183.db2.gz VOLLDYQHJOBLIW-KZNAEPCWSA-N 2 0 313.445 2.598 20 0 DFADRP CC(C)[NH+]1CCC([N@H+](C)CCC(=O)OCc2ccccc2)CC1 ZINC000272054206 427618224 /nfs/dbraw/zinc/61/82/24/427618224.db2.gz VHIAQQZQBSIYHF-UHFFFAOYSA-N 2 0 318.461 2.925 20 0 DFADRP CN(C)c1cccc(C[NH2+]C2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000294141327 427562263 /nfs/dbraw/zinc/56/22/63/427562263.db2.gz GKUQLUJEAUTDIK-UHFFFAOYSA-N 2 0 310.445 2.906 20 0 DFADRP COC(=O)Nc1ccc(CC[NH2+][C@@H]2C[C@H](C)[N@H+](C)C[C@@H]2C)cc1 ZINC000271508446 427563178 /nfs/dbraw/zinc/56/31/78/427563178.db2.gz OKDAETBTRUAMDB-GRDNDAEWSA-N 2 0 319.449 2.726 20 0 DFADRP C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)NCC1([NH+](C)C)CCCCCC1 ZINC000332338213 427584618 /nfs/dbraw/zinc/58/46/18/427584618.db2.gz NCYXQEJOECJBPV-HOTGVXAUSA-N 2 0 324.513 2.552 20 0 DFADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1[NH2+]CCCN1CCc2ccccc21 ZINC000192702928 427592318 /nfs/dbraw/zinc/59/23/18/427592318.db2.gz IAHFVHYKLRCQLC-SOLBZPMBSA-N 2 0 301.478 2.758 20 0 DFADRP C[C@H](CN1CCCCC1)[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000298434528 427608185 /nfs/dbraw/zinc/60/81/85/427608185.db2.gz NDWOHIRJNWIUTD-MRXNPFEDSA-N 2 0 302.466 2.514 20 0 DFADRP Cc1ccc([C@@H](CNC2C[C@H]3CC[C@@H](C2)[N@H+]3C)[NH+](C)C)cc1 ZINC000192773585 427610085 /nfs/dbraw/zinc/61/00/85/427610085.db2.gz JECIWFKRRSCDJR-XVLXNVKGSA-N 2 0 301.478 2.813 20 0 DFADRP CN(C)C1(C[NH2+]C2CCN(c3cc[nH+]cc3)CC2)CCCCC1 ZINC000298487504 427627976 /nfs/dbraw/zinc/62/79/76/427627976.db2.gz PSLVFAXZKLFNGP-UHFFFAOYSA-N 2 0 316.493 2.905 20 0 DFADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]C[C@](C)(O)c1cccc(Cl)c1 ZINC000185309102 427630198 /nfs/dbraw/zinc/63/01/98/427630198.db2.gz NJHNSADWEJUFBN-OMNBBPDLSA-N 2 0 310.869 2.866 20 0 DFADRP CN(C)[C@H](CNC1CC[NH+](C2CC2)CC1)c1c(F)cccc1F ZINC000298510745 427633457 /nfs/dbraw/zinc/63/34/57/427633457.db2.gz QYSJZDOLHDGFFV-QGZVFWFLSA-N 2 0 323.431 2.784 20 0 DFADRP C[C@H](NCCc1cncn1C)c1nc(C2CCCCC2)no1 ZINC000298513251 427635421 /nfs/dbraw/zinc/63/54/21/427635421.db2.gz RANYRMRIKHUWCE-LBPRGKRZSA-N 2 0 303.410 2.744 20 0 DFADRP COCCOc1cc(C)ccc1CNC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000192947194 427641246 /nfs/dbraw/zinc/64/12/46/427641246.db2.gz GUHSGSGUQVOXBC-AYHJJNSGSA-N 2 0 318.461 2.735 20 0 DFADRP C[C@H]1CN(CCC[NH2+]Cc2sccc2Cl)C[C@H](C)O1 ZINC000192989769 427646479 /nfs/dbraw/zinc/64/64/79/427646479.db2.gz UWULSOLOEAHYJF-RYUDHWBXSA-N 2 0 302.871 2.990 20 0 DFADRP CC[NH+]1CCN(c2ccccc2C[NH2+][C@@H]2CC[C@@H](F)C2)CC1 ZINC000342291773 271983042 /nfs/dbraw/zinc/98/30/42/271983042.db2.gz NRSUTXZUVODMIY-IAGOWNOFSA-N 2 0 305.441 2.809 20 0 DFADRP CC(=O)Nc1ccc(C[NH2+]C2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC000298578479 427652564 /nfs/dbraw/zinc/65/25/64/427652564.db2.gz XOMSYBMGQIIZFU-UHFFFAOYSA-N 2 0 324.428 2.799 20 0 DFADRP COc1ccccc1OC[C@H](C)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000193059286 427657159 /nfs/dbraw/zinc/65/71/59/427657159.db2.gz VAVKXNKCBFTWOW-MGNMYUMUSA-N 2 0 318.461 2.925 20 0 DFADRP CC(C)[C@H]1CCC[C@@H]([NH2+]Cc2nnc(C3CC[NH2+]CC3)[nH]2)C1 ZINC000333608761 427659139 /nfs/dbraw/zinc/65/91/39/427659139.db2.gz RQKDFARGWDQMAQ-LSDHHAIUSA-N 2 0 305.470 2.576 20 0 DFADRP c1cnn(Cc2ccc(C[NH2+][C@H]3CC[N@@H+]4CCC[C@@H]4C3)cc2)c1 ZINC000339072136 427662555 /nfs/dbraw/zinc/66/25/55/427662555.db2.gz TXGROKIMTFVVCJ-RBUKOAKNSA-N 2 0 310.445 2.648 20 0 DFADRP CC[NH+](CC)CC1CC[NH+](Cc2cccc3nccn32)CC1 ZINC000342671652 272039620 /nfs/dbraw/zinc/03/96/20/272039620.db2.gz BHKBCALJVZBPHE-UHFFFAOYSA-N 2 0 300.450 2.888 20 0 DFADRP CCCN(CC[NH+]1CCCCC1)C(=O)[C@H](C1CC1)[NH+]1CCCC1 ZINC000342776430 272052693 /nfs/dbraw/zinc/05/26/93/272052693.db2.gz HAWNEFVYCPEWLQ-SFHVURJKSA-N 2 0 321.509 2.585 20 0 DFADRP C[C@H]1CC(C)(C)C[C@H]1[NH2+]Cc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000193122344 427669707 /nfs/dbraw/zinc/66/97/07/427669707.db2.gz IYAPGDAWQQLFKH-DOTOQJQBSA-N 2 0 316.493 2.748 20 0 DFADRP C[C@@H](C(=O)NCc1ccc(C[NH+](C)C)cc1)[NH+]1CCCCCC1 ZINC000342925980 272067160 /nfs/dbraw/zinc/06/71/60/272067160.db2.gz NFUFQLNZGZTJCL-INIZCTEOSA-N 2 0 317.477 2.629 20 0 DFADRP Cc1cccc(C)c1C[NH+]1CCN(C[C@@H]2CCCC[N@H+]2C)CC1 ZINC000342945291 272070172 /nfs/dbraw/zinc/07/01/72/272070172.db2.gz WZBMAGCGSQZKBR-IBGZPJMESA-N 2 0 315.505 2.905 20 0 DFADRP C[C@@H]1CN(C)C[C@@H]1[NH2+]Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000343032758 272077017 /nfs/dbraw/zinc/07/70/17/272077017.db2.gz HOSKDARTSZJOEN-APWZRJJASA-N 2 0 301.478 2.712 20 0 DFADRP C[C@@H]1CN(C)C[C@H]1[NH2+]Cc1ccc(C[NH+]2CCC(C)CC2)cc1 ZINC000343252814 272104943 /nfs/dbraw/zinc/10/49/43/272104943.db2.gz JSMJDNUBBTYNOA-YLJYHZDGSA-N 3 0 315.505 2.958 20 0 DFADRP c1cn(CCC[N@@H+]2CCc3c(cnn3-c3ccccc3)C2)cn1 ZINC000343262301 272108322 /nfs/dbraw/zinc/10/83/22/272108322.db2.gz VBNGQXITDJTQKS-UHFFFAOYSA-N 2 0 307.401 2.517 20 0 DFADRP CCc1cc(N(C)C[C@@H]2C[C@@H](OC)C[N@@H+]2C)c2ccccc2[nH+]1 ZINC000343299290 272115032 /nfs/dbraw/zinc/11/50/32/272115032.db2.gz BDZGILDLYMDDOK-JKSUJKDBSA-N 2 0 313.445 2.953 20 0 DFADRP CC[NH+](CC)CCC[C@H](C)[NH2+]C[C@H]1CCO[C@H]1c1ccnn1C ZINC000343351898 272125913 /nfs/dbraw/zinc/12/59/13/272125913.db2.gz FCBYCEVXBBDGQR-LZLYRXPVSA-N 2 0 322.497 2.598 20 0 DFADRP Cc1cccnc1[C@@H]1CCC[C@H]([NH2+]CCOCC[NH+](C)C)C1 ZINC000343463467 272153060 /nfs/dbraw/zinc/15/30/60/272153060.db2.gz ZGOZGERAGVJQMR-SJORKVTESA-N 2 0 305.466 2.584 20 0 DFADRP Cc1[nH+]c2ccccc2c(NC[C@@H](O)C[NH+]2CCCCC2)c1C ZINC000343472270 272154765 /nfs/dbraw/zinc/15/47/65/272154765.db2.gz GGEYGBCGRKPYOT-MRXNPFEDSA-N 2 0 313.445 2.532 20 0 DFADRP C[C@H]([NH2+][C@@H](C)[C@H]1CCOC1)c1ccc(OCC[NH+](C)C)cc1 ZINC000343492859 272158712 /nfs/dbraw/zinc/15/87/12/272158712.db2.gz CMWQUOCAYWLOHO-ZOBUZTSGSA-N 2 0 306.450 2.703 20 0 DFADRP C[C@H](CCO)CC[NH2+][C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000295054592 427674156 /nfs/dbraw/zinc/67/41/56/427674156.db2.gz GBMBAYCBNPAGLZ-IJXRJRJASA-N 2 0 316.489 2.895 20 0 DFADRP CC[C@@H](C(=O)N[C@H](C)C[N@H+](C)Cc1ccccc1)[NH+](CC)CC ZINC000343532282 272166319 /nfs/dbraw/zinc/16/63/19/272166319.db2.gz VRWJIHRRXQOWFN-AEFFLSMTSA-N 2 0 319.493 2.744 20 0 DFADRP CC[N@H+]1C[C@H](NC2CC[NH+](Cc3ccccc3C)CC2)[C@@H](C)C1 ZINC000343575513 272174787 /nfs/dbraw/zinc/17/47/87/272174787.db2.gz QTEJMYDOZXJZCA-PXNSSMCTSA-N 2 0 315.505 2.889 20 0 DFADRP CC[N@@H+]1C[C@H](C)[C@H](NC2CC[NH+](Cc3ccccc3C)CC2)C1 ZINC000343575501 272174954 /nfs/dbraw/zinc/17/49/54/272174954.db2.gz QTEJMYDOZXJZCA-FXAWDEMLSA-N 2 0 315.505 2.889 20 0 DFADRP CCc1c(C)[nH+]c2ccccc2c1NC[C@H]1C[N@H+](C)CCN1C ZINC000272222369 427676322 /nfs/dbraw/zinc/67/63/22/427676322.db2.gz NVQHQTGTZHUAGT-HNNXBMFYSA-N 2 0 312.461 2.763 20 0 DFADRP CC[NH+](CC)C[C@@H](C)NC(=O)[C@@H](c1ccccc1)[N@H+](C)CC ZINC000343803766 272222761 /nfs/dbraw/zinc/22/27/61/272222761.db2.gz NGOMOQSOIVSSDD-NVXWUHKLSA-N 2 0 305.466 2.526 20 0 DFADRP Cc1cccc(C)c1C[N@@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000343922051 272238361 /nfs/dbraw/zinc/23/83/61/272238361.db2.gz KNNPWYUJHCMDJP-AZUAARDMSA-N 2 0 315.505 2.761 20 0 DFADRP C[NH+](C)CCOc1cnccc1C[NH2+][C@H]1CCc2ccccc21 ZINC000343983926 272247696 /nfs/dbraw/zinc/24/76/96/272247696.db2.gz LPFTXNXNJKFNPS-SFHVURJKSA-N 2 0 311.429 2.799 20 0 DFADRP CO[C@@H]1[C@H](C)[C@H]([NH2+]CCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)C12CCC2 ZINC000344045749 272252786 /nfs/dbraw/zinc/25/27/86/272252786.db2.gz GSDDCPCHXPZHCS-MDMSPXHWSA-N 2 0 324.509 2.669 20 0 DFADRP CC[C@H](C(=O)NC[C@@H](c1ccc(F)cc1)[NH+](C)C)[NH+](CC)CC ZINC000344092796 272261822 /nfs/dbraw/zinc/26/18/22/272261822.db2.gz OWSIFPUKGBZMIY-SJORKVTESA-N 2 0 323.456 2.665 20 0 DFADRP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+]CCCc1nccs1 ZINC000344212565 272289102 /nfs/dbraw/zinc/28/91/02/272289102.db2.gz PMYVHGPZECEGAP-UHFFFAOYSA-N 2 0 313.430 2.755 20 0 DFADRP CC(C)[C@H](O)C1(C[NH2+][C@H]2CN(Cc3ccccc3)C[C@H]2C)CC1 ZINC000344293164 272306328 /nfs/dbraw/zinc/30/63/28/272306328.db2.gz HIYAYLIVGILYDY-NEWSRXKRSA-N 2 0 316.489 2.894 20 0 DFADRP C[C@H]1[C@H]([NH2+]Cc2ccc(Oc3cnccn3)cc2)CCCN1C ZINC000344318572 272310718 /nfs/dbraw/zinc/31/07/18/272310718.db2.gz AZENDRVUSHQSBT-WMLDXEAASA-N 2 0 312.417 2.841 20 0 DFADRP Cn1c2c(nc1[C@H]1CCCN1CC[C@@H]1CCC[N@@H+]1C)CCCC2 ZINC000344362671 272321086 /nfs/dbraw/zinc/32/10/86/272321086.db2.gz IQHJKDQPEGEBRO-MAUKXSAKSA-N 2 0 316.493 2.920 20 0 DFADRP OC1(c2ccccc2)CC[NH+](Cc2cccc3nccn32)CC1 ZINC000185638503 427684087 /nfs/dbraw/zinc/68/40/87/427684087.db2.gz CXTFYZWVOUYLGR-UHFFFAOYSA-N 2 0 307.397 2.818 20 0 DFADRP CC[C@H](C(=O)NCCCC[N@@H+]1CCC[C@H](C)C1)[NH+](CC)CC ZINC000344518742 272333253 /nfs/dbraw/zinc/33/32/53/272333253.db2.gz BXWXQXKBGMESPW-DLBZAZTESA-N 2 0 311.514 2.735 20 0 DFADRP C[C@@H](C(=O)NC[C@H](C1CCCCC1)[NH+](C)C)[NH+]1CCCCCC1 ZINC000344593454 272343381 /nfs/dbraw/zinc/34/33/81/272343381.db2.gz DLJCKLORWQKHKZ-FUHWJXTLSA-N 2 0 323.525 2.878 20 0 DFADRP C[N@@H+]1CCCC(C)(C)[C@@H]1CNC(=O)[C@@H]1CCC[NH+]1C1CCCC1 ZINC000344662698 272353543 /nfs/dbraw/zinc/35/35/43/272353543.db2.gz KFVCWYUIEZAZRK-IRXDYDNUSA-N 2 0 321.509 2.630 20 0 DFADRP Cc1nn(C)c(C)c1CNC1CC[NH+](C2CCCCC2)CC1 ZINC000344762510 272365959 /nfs/dbraw/zinc/36/59/59/272365959.db2.gz DYYZYWFSVNSNTF-UHFFFAOYSA-N 2 0 304.482 2.924 20 0 DFADRP CC[C@H](C(=O)N1CCC[C@H]([NH+]2[C@H](C)CC[C@H]2C)C1)[NH+](CC)CC ZINC000345043491 272397459 /nfs/dbraw/zinc/39/74/59/272397459.db2.gz HUEGQEVAPXUSTM-ZJPYXAASSA-N 2 0 323.525 2.971 20 0 DFADRP CC[C@H](NCC1([NH3+])C2CC3CC(C2)CC1C3)[C@H]1CCCC[NH2+]1 ZINC000333833524 427697321 /nfs/dbraw/zinc/69/73/21/427697321.db2.gz MYKNWEMOSSUBQX-XCWFVBJVSA-N 2 0 305.510 2.650 20 0 DFADRP C[C@@H]([NH2+]Cc1ccc(CO)cc1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185755371 427700450 /nfs/dbraw/zinc/70/04/50/427700450.db2.gz WKHAYMOZQBXTQW-CRAIPNDOSA-N 2 0 302.462 2.922 20 0 DFADRP C[C@@H](CCN1CC[NH+](C)CC1)[NH2+]Cc1coc2ccccc12 ZINC000185870766 427723632 /nfs/dbraw/zinc/72/36/32/427723632.db2.gz LMUCZSQOXWGLTI-HNNXBMFYSA-N 2 0 301.434 2.548 20 0 DFADRP COC(=O)CCC[C@H]1CCC[C@H]([NH2+]CCC[NH+]2CCCC2)C1 ZINC000339175339 427717893 /nfs/dbraw/zinc/71/78/93/427717893.db2.gz XCPVFNWSSBZAEV-SJORKVTESA-N 2 0 310.482 2.964 20 0 DFADRP COc1ccc(C[NH2+]CCOCC[NH+](C)C)c2ccccc12 ZINC000336866431 427766956 /nfs/dbraw/zinc/76/69/56/427766956.db2.gz WNEMZNQHTMKTEJ-UHFFFAOYSA-N 2 0 302.418 2.516 20 0 DFADRP Cc1ccc(CCC[N@@H+]2C[C@H](C[NH3+])[C@@H](c3ccccc3)C2)cn1 ZINC000339406879 427769484 /nfs/dbraw/zinc/76/94/84/427769484.db2.gz GZVHKZMOQWSACR-VQTJNVASSA-N 2 0 309.457 2.997 20 0 DFADRP Cc1cccc(NC(=O)[C@H](C)N2CC[C@]3(C2)CCC[N@H+](C)C3)c1 ZINC000339433051 427774292 /nfs/dbraw/zinc/77/42/92/427774292.db2.gz IENBYKCNKRWVIT-QFBILLFUSA-N 2 0 315.461 2.740 20 0 DFADRP CC[C@H]([NH2+]Cc1nc2c(s1)CN(C(C)C)CC2)C(C)(C)O ZINC000339544760 427791473 /nfs/dbraw/zinc/79/14/73/427791473.db2.gz VWZMBLNOVWHUMG-AWEZNQCLSA-N 2 0 311.495 2.549 20 0 DFADRP Cc1nccnc1CC[NH2+][C@@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000339527530 427789327 /nfs/dbraw/zinc/78/93/27/427789327.db2.gz DSWPAIUXYOUESI-SJLPKXTDSA-N 2 0 310.445 2.753 20 0 DFADRP Cc1ccc(C[NH2+]C(C)(C)CCN2CC[NH+](C)CC2)cc1C ZINC000185889459 427725063 /nfs/dbraw/zinc/72/50/63/427725063.db2.gz VSDZTUWAIGRGGA-UHFFFAOYSA-N 2 0 303.494 2.809 20 0 DFADRP Cc1cc(C)c(C[NH2+][C@@H](C)CCN2CC[NH+](C)CC2)cc1C ZINC000185881701 427725296 /nfs/dbraw/zinc/72/52/96/427725296.db2.gz OYIZWOCCXVCOAF-SFHVURJKSA-N 2 0 303.494 2.727 20 0 DFADRP C[NH+](C)Cc1cccc(C[NH2+][C@@H]2[C@H]3CCO[C@H]3C23CCC3)c1 ZINC000193957737 427725460 /nfs/dbraw/zinc/72/54/60/427725460.db2.gz IYVJSGQETONJHL-KZNAEPCWSA-N 2 0 300.446 2.795 20 0 DFADRP Cc1sccc1C[NH2+]C1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000339300197 427753695 /nfs/dbraw/zinc/75/36/95/427753695.db2.gz BTQKFTZQULABHK-IRXDYDNUSA-N 2 0 308.491 2.914 20 0 DFADRP CC[NH+]1CCN([C@H]2CCN(c3cc[nH+]c4c(C)cccc34)C2)CC1 ZINC000301652221 427812675 /nfs/dbraw/zinc/81/26/75/427812675.db2.gz GOKBMNUDAVNWSG-KRWDZBQOSA-N 2 0 324.472 2.759 20 0 DFADRP Cc1cc(N2CC[N@@H+](C[C@@H](C)O)[C@@H](C)C2)c2cc(F)ccc2[nH+]1 ZINC000301688761 427816434 /nfs/dbraw/zinc/81/64/34/427816434.db2.gz VPFSPQJUTORQNF-UONOGXRCSA-N 2 0 317.408 2.574 20 0 DFADRP CC[C@@H]1C[C@H](C[NH2+]CCCC[NH+]2C[C@H](C)O[C@@H](C)C2)CCO1 ZINC000355675760 427843356 /nfs/dbraw/zinc/84/33/56/427843356.db2.gz WANNRHCLHMVYMG-WNRNVDISSA-N 2 0 312.498 2.671 20 0 DFADRP Cc1csc([C@@H](C)[NH2+]CCCN2CC[NH+](C(C)C)CC2)n1 ZINC000337324918 427846050 /nfs/dbraw/zinc/84/60/50/427846050.db2.gz UUROQFIYBZOKEQ-OAHLLOKOSA-N 2 0 310.511 2.518 20 0 DFADRP CC(C)c1nc(NCC[N@H+](C)C2CCCCC2)nc(N(C)C)n1 ZINC000301952798 427846819 /nfs/dbraw/zinc/84/68/19/427846819.db2.gz CJUGTPUOUZEDSU-UHFFFAOYSA-N 2 0 320.485 2.737 20 0 DFADRP OCC[C@H]([NH2+]C1CC[NH+](C2CCCCC2)CC1)C1CCOCC1 ZINC000359428512 427847742 /nfs/dbraw/zinc/84/77/42/427847742.db2.gz RXNMVJNKYOHLEM-IBGZPJMESA-N 2 0 324.509 2.551 20 0 DFADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)C[C@H]1CC[C@H](C)C1 ZINC000345657204 427847732 /nfs/dbraw/zinc/84/77/32/427847732.db2.gz VFUGDLBLFVBZDF-OKZBNKHCSA-N 2 0 323.525 2.687 20 0 DFADRP O[C@H](C[NH2+][C@@H]1CCC[C@@H](c2cccnc2)C1)C[NH+]1CCCCC1 ZINC000337330019 427849342 /nfs/dbraw/zinc/84/93/42/427849342.db2.gz GCAIVMJUYCWMPF-BHIYHBOVSA-N 2 0 317.477 2.544 20 0 DFADRP C[C@@H]([NH2+]Cc1ccc(OCC[NH+](C)C)cc1)[C@@]1(C)CCCO1 ZINC000340459194 427850990 /nfs/dbraw/zinc/85/09/90/427850990.db2.gz CNGCEQASDPKQGD-CRAIPNDOSA-N 2 0 306.450 2.674 20 0 DFADRP COCCN1CCC[C@@H]1C[NH2+][C@@H]1CCC[C@H](c2cccnc2)C1 ZINC000337343051 427855902 /nfs/dbraw/zinc/85/59/02/427855902.db2.gz RXVPYKZXWNLHKN-QXAKKESOSA-N 2 0 317.477 2.808 20 0 DFADRP C[C@@H](CCN1CC[NH+](C)CC1)[NH2+]Cc1cc2cc(F)ccc2o1 ZINC000349830769 427873643 /nfs/dbraw/zinc/87/36/43/427873643.db2.gz RLGOOMWFZVHVPS-AWEZNQCLSA-N 2 0 319.424 2.688 20 0 DFADRP CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCCC[C@]1(C)[NH3+] ZINC000345726985 427877956 /nfs/dbraw/zinc/87/79/56/427877956.db2.gz ZEDOKCQDJIEDGR-RYRKJORJSA-N 2 0 309.498 2.665 20 0 DFADRP C[C@@H]([NH2+]CCN1CC[NH+](Cc2ccccc2)CC1)C1(C)CC1 ZINC000359522504 427888231 /nfs/dbraw/zinc/88/82/31/427888231.db2.gz FPOSNZWAKHWNMW-QGZVFWFLSA-N 2 0 301.478 2.582 20 0 DFADRP CC[NH+](CC)[C@@H](C)CNC(=O)[C@H](c1ccccc1)[N@@H+](C)CC ZINC000340590921 427893707 /nfs/dbraw/zinc/89/37/07/427893707.db2.gz QCYSZOXUMITPLW-RDJZCZTQSA-N 2 0 305.466 2.526 20 0 DFADRP C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)c1cccc(C[NH+](C)C)c1 ZINC000355814212 427906851 /nfs/dbraw/zinc/90/68/51/427906851.db2.gz SUMQGQWAWWTVFT-HZPDHXFCSA-N 2 0 317.477 2.741 20 0 DFADRP CCC[NH+](CCC)CCCC(=O)N1CCC[N@@H+](C(C)C)CC1 ZINC000337460998 427917810 /nfs/dbraw/zinc/91/78/10/427917810.db2.gz PJMRBGKYUOJZJH-UHFFFAOYSA-N 2 0 311.514 2.831 20 0 DFADRP CC[C@H](C(=O)N(C)CC[N@H+](C)C1CCCCC1)[NH+](CC)CC ZINC000345817299 427918617 /nfs/dbraw/zinc/91/86/17/427918617.db2.gz XRSXZZPMSLHDKU-QGZVFWFLSA-N 2 0 311.514 2.830 20 0 DFADRP CC[N@H+](CCN[C@H]1CC[NH+](C)[C@@H](c2ccccc2)C1)C1CC1 ZINC000340223306 427957446 /nfs/dbraw/zinc/95/74/46/427957446.db2.gz QLNDKMYAUNTWAY-PKOBYXMFSA-N 2 0 301.478 2.896 20 0 DFADRP C[C@@H]1[C@@H]([NH2+][C@H]2CCN(C3CC3)C2)CCCN1Cc1ccccc1 ZINC000340235018 427961814 /nfs/dbraw/zinc/96/18/14/427961814.db2.gz JFHMNVITMQZBOG-KPFFTGBYSA-N 2 0 313.489 2.866 20 0 DFADRP CCCC[N@H+](CC)Cc1cccc(CNC(=O)C[C@H](C)[NH3+])c1 ZINC000340237901 427962632 /nfs/dbraw/zinc/96/26/32/427962632.db2.gz PDQMHVHELJDPGS-HNNXBMFYSA-N 2 0 305.466 2.662 20 0 DFADRP C[C@H](CCc1ccc2c(c1)OCO2)[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000337599533 427976136 /nfs/dbraw/zinc/97/61/36/427976136.db2.gz MYYAOARHSQXFEJ-PVAVHDDUSA-N 2 0 316.445 2.953 20 0 DFADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)[C@@H]1CC2CCC1CC2 ZINC000340286500 427978482 /nfs/dbraw/zinc/97/84/82/427978482.db2.gz UWPWYMZXIUESJR-DAWZGUTISA-N 2 0 323.525 2.545 20 0 DFADRP Cn1cc(C[NH2+]Cc2cnc3n2CCCC3)c(C(C)(C)C)n1 ZINC000376730551 427988853 /nfs/dbraw/zinc/98/88/53/427988853.db2.gz YKBDQPFNSQKFAF-UHFFFAOYSA-N 2 0 301.438 2.540 20 0 DFADRP CCN(CCCNC(=O)C[C@H]1CCC[C@@H]1[NH3+])c1ccccc1 ZINC000340113681 427929907 /nfs/dbraw/zinc/92/99/07/427929907.db2.gz NJDNXUYCXCSSFQ-WBVHZDCISA-N 2 0 303.450 2.537 20 0 DFADRP CCC[NH+](CCC)CCCC(=O)N(C)CC1CC[NH+](C)CC1 ZINC000337505380 427936013 /nfs/dbraw/zinc/93/60/13/427936013.db2.gz FFTMISPRFQUKMA-UHFFFAOYSA-N 2 0 311.514 2.689 20 0 DFADRP CCCC[N@H+](C)CC1CCN(C(=O)C[NH+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000346132515 428030204 /nfs/dbraw/zinc/03/02/04/428030204.db2.gz BXNSPULQCFKTBP-CALCHBBNSA-N 2 0 323.525 2.830 20 0 DFADRP CC[NH+](CC)CCCC1CC[NH+]([C@H](C(=O)OC)C2CC2)CC1 ZINC000359855946 428048818 /nfs/dbraw/zinc/04/88/18/428048818.db2.gz BLUCEVVKCVQZCT-KRWDZBQOSA-N 2 0 310.482 2.772 20 0 DFADRP Cn1cc2c(n1)CCC[C@H]2[NH2+]C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000377093181 428055750 /nfs/dbraw/zinc/05/57/50/428055750.db2.gz JOWQHELUSCFFJM-PKOBYXMFSA-N 2 0 324.472 2.909 20 0 DFADRP C[C@H]([NH2+][C@@H]1CCO[C@H]1C1CC1)c1cccc(OCC[NH+](C)C)c1 ZINC000359876572 428056730 /nfs/dbraw/zinc/05/67/30/428056730.db2.gz OOISVLNURQOEGA-KYNGSXCRSA-N 2 0 318.461 2.845 20 0 DFADRP CC[NH+](CC)CCO[C@@H]1CC[N@H+](Cc2ccc(C)nc2C)C1 ZINC000359878368 428058067 /nfs/dbraw/zinc/05/80/67/428058067.db2.gz PCXJCJOMIVYMOX-GOSISDBHSA-N 2 0 305.466 2.631 20 0 DFADRP C[C@@H]1[C@H]([NH2+]CC2(CCO)CC2)CCCN1Cc1ccccc1 ZINC000340358337 427998451 /nfs/dbraw/zinc/99/84/51/427998451.db2.gz NMYSXLOTLZQAFN-SJLPKXTDSA-N 2 0 302.462 2.792 20 0 DFADRP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+](C[C@@H]1CCOC1)C1CC1 ZINC000346187617 428060954 /nfs/dbraw/zinc/06/09/54/428060954.db2.gz XCLABVLHMLKHCT-HNNXBMFYSA-N 2 0 312.417 2.577 20 0 DFADRP CN(C)CC[NH+]1CCC(C[NH2+]Cc2ccsc2Cl)CC1 ZINC000359763981 428008015 /nfs/dbraw/zinc/00/80/15/428008015.db2.gz HTFDQAPSXAUXMT-UHFFFAOYSA-N 2 0 315.914 2.765 20 0 DFADRP C[C@H]1C[NH+](CC2CC[NH+](CCC(F)(F)F)CC2)C[C@H](C)O1 ZINC000369583409 428008289 /nfs/dbraw/zinc/00/82/89/428008289.db2.gz ILKOKSXJHKGVMW-STQMWFEESA-N 2 0 308.388 2.760 20 0 DFADRP Cn1ccnc1-c1cccc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000369840223 428072265 /nfs/dbraw/zinc/07/22/65/428072265.db2.gz KGGAIKRSVGBNFV-QZTJIDSGSA-N 2 0 310.445 2.804 20 0 DFADRP c1cn(-c2csc(C[N@H+]3CC[C@@H](C[NH+]4CCCC4)C3)c2)cn1 ZINC000346219863 428075992 /nfs/dbraw/zinc/07/59/92/428075992.db2.gz NFDRVMKYEBOTMY-HNNXBMFYSA-N 2 0 316.474 2.852 20 0 DFADRP CC[NH+]1CCN(CCCC[NH2+]Cc2ccsc2Cl)CC1 ZINC000359950388 428089346 /nfs/dbraw/zinc/08/93/46/428089346.db2.gz RAUXWSKFQLGWMV-UHFFFAOYSA-N 2 0 315.914 2.909 20 0 DFADRP [NH3+][C@@H]1CCC[C@@H](C(=O)N2CCC(CCC[NH+]3CCCC3)CC2)C1 ZINC000346291825 428111848 /nfs/dbraw/zinc/11/18/48/428111848.db2.gz QVRLZAAPZJAVBS-QZTJIDSGSA-N 2 0 321.509 2.619 20 0 DFADRP C[C@H]([NH3+])[C@@H]1CC[N@H+](Cc2ccccc2OCC(F)(F)F)C1 ZINC000351861450 428112690 /nfs/dbraw/zinc/11/26/90/428112690.db2.gz LKXWPFNOORETEK-NWDGAFQWSA-N 2 0 302.340 2.797 20 0 DFADRP C[C@@H]([NH3+])[C@@H]1CC[N@H+](CCOc2ccccc2C(F)(F)F)C1 ZINC000351859199 428113529 /nfs/dbraw/zinc/11/35/29/428113529.db2.gz FVLVIMAFKJOAPW-VXGBXAGGSA-N 2 0 302.340 2.753 20 0 DFADRP C[C@H]1CCCC[N@@H+]1CCNC(=O)[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC000360007759 428115830 /nfs/dbraw/zinc/11/58/30/428115830.db2.gz RDAYVHHMNXDLFT-DLBZAZTESA-N 2 0 321.509 2.632 20 0 DFADRP CCCC(=O)Nc1ccc(C[NH2+][C@@H]2CC[N@H+](C)C[C@H]2C)cc1 ZINC000360026346 428123231 /nfs/dbraw/zinc/12/32/31/428123231.db2.gz YFZGNUNFOZFGOZ-RHSMWYFYSA-N 2 0 303.450 2.855 20 0 DFADRP CC[N@@H+]1CC[C@H](N(C)C(=O)[C@H](C)[NH+]2[C@H](C)CC[C@H]2C)C[C@@H]1C ZINC000413498449 428064512 /nfs/dbraw/zinc/06/45/12/428064512.db2.gz MQSHEVLJXJAPET-NRKLIOEPSA-N 2 0 309.498 2.579 20 0 DFADRP O[C@H](CC[N@@H+]1C[C@@H]2C[NH+]3CCCC[C@@H]3[C@H]2C1)c1ccccc1 ZINC000377124102 428064577 /nfs/dbraw/zinc/06/45/77/428064577.db2.gz CPIRAXIEBIKVCG-FCGDIQPGSA-N 2 0 300.446 2.526 20 0 DFADRP c1cc(CCC[N@@H+]2CCC[C@]3(CC[NH2+]C3)C2)cc2c1OCC2 ZINC000352540455 428143151 /nfs/dbraw/zinc/14/31/51/428143151.db2.gz LIEPMXBVGHUGQP-LJQANCHMSA-N 2 0 300.446 2.630 20 0 DFADRP C[N@H+](CCN1CC[C@H]([NH+]2CCCCC2)C1)Cc1ccc(F)cc1 ZINC000360071612 428145425 /nfs/dbraw/zinc/14/54/25/428145425.db2.gz LYKDBLMRDWQZDS-IBGZPJMESA-N 2 0 319.468 2.818 20 0 DFADRP Cc1cnc([C@H](C)[NH+]2CCC(CCC[NH+]3CCOCC3)CC2)o1 ZINC000356418221 428170251 /nfs/dbraw/zinc/17/02/51/428170251.db2.gz ATQBWYJUWXJTRD-INIZCTEOSA-N 2 0 321.465 2.868 20 0 DFADRP c1cc(COc2ccc(CN3CC[NH+]4CCC3CC4)cc2)ccn1 ZINC000377625269 428175485 /nfs/dbraw/zinc/17/54/85/428175485.db2.gz MAGSQMXLZNTLGG-UHFFFAOYSA-N 2 0 323.440 2.941 20 0 DFADRP C[NH+]1CCN(C[C@@H]2CCC[N@H+](C/C=C/c3ccccc3)C2)CC1 ZINC000377628671 428177261 /nfs/dbraw/zinc/17/72/61/428177261.db2.gz QLXWKFQEWNFNNP-MVHVFESUSA-N 2 0 313.489 2.659 20 0 DFADRP Cc1cc([C@H](C)[NH2+][C@H]2CCN(C3CC[NH+](C)CC3)C2)oc1C ZINC000370297540 428178433 /nfs/dbraw/zinc/17/84/33/428178433.db2.gz LBLCTZSWIXUJEA-HOCLYGCPSA-N 2 0 305.466 2.716 20 0 DFADRP Cc1cc([C@H](C)[NH2+][C@@H]2CCN(C3CC[NH+](C)CC3)C2)oc1C ZINC000370297539 428179398 /nfs/dbraw/zinc/17/93/98/428179398.db2.gz LBLCTZSWIXUJEA-GOEBONIOSA-N 2 0 305.466 2.716 20 0 DFADRP Cc1ccc(C[NH+]2CCC(C[NH+]3CCN(C)CC3)CC2)s1 ZINC000377634036 428179368 /nfs/dbraw/zinc/17/93/68/428179368.db2.gz WNWNQUBCUMJVRD-UHFFFAOYSA-N 2 0 307.507 2.516 20 0 DFADRP CC[C@H](C)[C@H](C)C(=O)N(CC[NH+](C)C)C[C@@H]1CCC[N@@H+]1CC ZINC000356498858 428205707 /nfs/dbraw/zinc/20/57/07/428205707.db2.gz ACQPWVPBVTUEHC-ULQDDVLXSA-N 2 0 311.514 2.543 20 0 DFADRP COc1ccc([C@@H](C)[NH2+]CCN2CC[N@H+](C)C(C)(C)C2)c(C)c1 ZINC000414155501 428220114 /nfs/dbraw/zinc/22/01/14/428220114.db2.gz SXNBFUCEXMZKMZ-MRXNPFEDSA-N 2 0 319.493 2.680 20 0 DFADRP C[C@H]([NH2+]C[C@H]1CC[N@H+](CCc2ccccc2)C1)[C@H]1CCCO1 ZINC000346565403 428220995 /nfs/dbraw/zinc/22/09/95/428220995.db2.gz SGONGXINHZEMJZ-QXAKKESOSA-N 2 0 302.462 2.708 20 0 DFADRP CC1CC[NH+](CC2CC[NH+](CCO[C@H]3CCCCO3)CC2)CC1 ZINC000370497250 428224443 /nfs/dbraw/zinc/22/44/43/428224443.db2.gz BFBPMVMIMCBMDM-IBGZPJMESA-N 2 0 324.509 2.974 20 0 DFADRP C[C@@H]([NH2+]CC[C@@H]1CCC[N@H+](C)C1)c1ccc2c(c1)OCCO2 ZINC000414172876 428225472 /nfs/dbraw/zinc/22/54/72/428225472.db2.gz FQZPRYYVWGHZRK-CABCVRRESA-N 2 0 304.434 2.840 20 0 DFADRP C[C@H]([NH2+]CC[C@H]1CCC[N@H+](C)C1)c1ccc(-n2cncn2)cc1 ZINC000414187584 428231157 /nfs/dbraw/zinc/23/11/57/428231157.db2.gz QBITYAPASNRWBP-JKSUJKDBSA-N 2 0 313.449 2.650 20 0 DFADRP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NCC[NH+]1CCCCC1 ZINC000346616870 428241316 /nfs/dbraw/zinc/24/13/16/428241316.db2.gz PHSJGUIAHVPVSN-ICSRJNTNSA-N 2 0 315.505 2.973 20 0 DFADRP CCC[NH+]1CCC([NH2+]CCNc2ccc3ccccc3n2)CC1 ZINC000414224603 428237960 /nfs/dbraw/zinc/23/79/60/428237960.db2.gz SEXSCGLYAUMTDI-UHFFFAOYSA-N 2 0 312.461 3.111 20 0 DFADRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H]2CS[C@H](C)C2)[C@H](C)C1 ZINC000414230408 428237978 /nfs/dbraw/zinc/23/79/78/428237978.db2.gz NXAYREFTAUVLKZ-WCVJEAGWSA-N 2 0 300.512 2.607 20 0 DFADRP COCCN1CCC([NH2+]CCc2c[nH]c3cc(C)ccc23)CC1 ZINC000360165788 428186988 /nfs/dbraw/zinc/18/69/88/428186988.db2.gz YZSUZQQMXRRBDN-UHFFFAOYSA-N 2 0 315.461 2.719 20 0 DFADRP CC[C@H](C)NC(=O)CN(C)C1CC[NH+](C2CCC(C)CC2)CC1 ZINC000360179093 428194102 /nfs/dbraw/zinc/19/41/02/428194102.db2.gz ORABEMZJPDQDOS-PQUAAJSLSA-N 2 0 323.525 2.876 20 0 DFADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+][C@@H]1CCN(c2ccc(F)cc2)C1 ZINC000414351903 428268307 /nfs/dbraw/zinc/26/83/07/428268307.db2.gz SLMBEHNXBONBLM-GZOSKZMVSA-N 2 0 305.441 2.723 20 0 DFADRP Cc1occc1C[NH2+]CC1(N2CCCCC2)CC[NH+](C)CC1 ZINC000414358933 428269730 /nfs/dbraw/zinc/26/97/30/428269730.db2.gz NDYWVNFTHUADND-UHFFFAOYSA-N 2 0 305.466 2.628 20 0 DFADRP C[N@@H+]1CC[C@H]([NH2+][C@@H]2CCN(c3ccc(F)cc3)C2)[C@H]2CCC[C@H]21 ZINC000414355949 428270470 /nfs/dbraw/zinc/27/04/70/428270470.db2.gz ZKHOFSDYJFCOKF-OQIJWPOYSA-N 2 0 317.452 2.867 20 0 DFADRP C[N@@H+]1CC[C@H]([NH2+][C@@H]2CCN(c3ccc(F)cc3)C2)[C@@H]2CCC[C@H]21 ZINC000414355951 428270620 /nfs/dbraw/zinc/27/06/20/428270620.db2.gz ZKHOFSDYJFCOKF-XGXHKWSGSA-N 2 0 317.452 2.867 20 0 DFADRP CC[NH+]1CCN([C@H](C)C[NH2+]Cc2ccc3occc3c2)CC1 ZINC000352835773 428272457 /nfs/dbraw/zinc/27/24/57/428272457.db2.gz YNTHWTSKIJUGSZ-OAHLLOKOSA-N 2 0 301.434 2.548 20 0 DFADRP Cc1nn(Cc2ccccc2)c(C)c1C[N@H+]1C[C@H](C[NH3+])C[C@@H]1C ZINC000346690197 428274000 /nfs/dbraw/zinc/27/40/00/428274000.db2.gz STVRSLHEIZACFA-KSSFIOAISA-N 2 0 312.461 2.717 20 0 DFADRP C[C@H]([NH3+])[C@@H]1CC[N@H+](Cc2c[nH]nc2-c2cccc(Cl)c2)C1 ZINC000346693217 428275565 /nfs/dbraw/zinc/27/55/65/428275565.db2.gz LNCOTCCAZSOYLW-WCQYABFASA-N 2 0 304.825 2.899 20 0 DFADRP C[C@@H]1C[C@@H](C[NH3+])C[N@@H+]1Cc1ccc(OCc2ccncc2)cc1 ZINC000346693420 428276541 /nfs/dbraw/zinc/27/65/41/428276541.db2.gz NAPZSTKZYMMDDC-QAPCUYQASA-N 2 0 311.429 2.830 20 0 DFADRP COCCN1CCC[C@H]1C[NH2+]Cc1ccc(SC)s1 ZINC000352845393 428276705 /nfs/dbraw/zinc/27/67/05/428276705.db2.gz IKWAUZDEGZTDMA-LBPRGKRZSA-N 2 0 300.493 2.670 20 0 DFADRP CSc1cc(C)ccc1C[NH2+]Cc1cnc(N(C)C)n1C ZINC000414378786 428276743 /nfs/dbraw/zinc/27/67/43/428276743.db2.gz LMSHHGRXBUVCPA-UHFFFAOYSA-N 2 0 304.463 2.806 20 0 DFADRP CC[N@@H+]1CCC[C@@H](C[NH2+]Cc2ccc(OC)c(OC)c2C)C1 ZINC000342027959 428281610 /nfs/dbraw/zinc/28/16/10/428281610.db2.gz QJPFUGWZVFEFPG-HNNXBMFYSA-N 2 0 306.450 2.834 20 0 DFADRP CC[NH+](CC)[C@@H](C(=O)N[C@@H](C)C[N@H+](C)C(C)C)c1ccccc1 ZINC000356742772 428289516 /nfs/dbraw/zinc/28/95/16/428289516.db2.gz NGRYGCSJXMJYDF-FUHWJXTLSA-N 2 0 319.493 2.914 20 0 DFADRP Cc1c(F)cccc1NC(=O)CC[N@@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000342080159 428295605 /nfs/dbraw/zinc/29/56/05/428295605.db2.gz FZTRCBAETDVRCI-DZKIICNBSA-N 2 0 319.424 2.522 20 0 DFADRP CC(C)n1cc(C[NH2+]CCCC[N@H+]2C[C@H](C)C[C@H](C)C2)nn1 ZINC000342092111 428296257 /nfs/dbraw/zinc/29/62/57/428296257.db2.gz WBELFBBJPASZCI-IYBDPMFKSA-N 2 0 307.486 2.707 20 0 DFADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CCC[C@@H]2OC)[C@@H](C)C1 ZINC000341911456 428250189 /nfs/dbraw/zinc/25/01/89/428250189.db2.gz UTUYVZPBIXSJLX-XSLAGTTESA-N 2 0 312.498 2.528 20 0 DFADRP CCCC[N@H+](C)C[C@@H](C)NC(=O)c1cccc(C[NH+](C)C)c1 ZINC000356604765 428251342 /nfs/dbraw/zinc/25/13/42/428251342.db2.gz SUKMOPSEPUJXMH-OAHLLOKOSA-N 2 0 305.466 2.598 20 0 DFADRP COc1ccc(C[N@@H+]2CC[C@@H]([C@H](C)[NH3+])C2)cc1OCC(C)C ZINC000346646606 428253912 /nfs/dbraw/zinc/25/39/12/428253912.db2.gz OQHKFULNUBMGCY-GOEBONIOSA-N 2 0 306.450 2.899 20 0 DFADRP COc1cccc(N2CCC([NH2+]CC3CC[NH+](C)CC3)CC2)c1 ZINC000370624581 428257230 /nfs/dbraw/zinc/25/72/30/428257230.db2.gz MOQVULCURZADKF-UHFFFAOYSA-N 2 0 317.477 2.595 20 0 DFADRP Cc1nccn1C[C@@H](C)C[NH2+]C1CC[NH+](C2CCCC2)CC1 ZINC000370634880 428259152 /nfs/dbraw/zinc/25/91/52/428259152.db2.gz NHSBTXVTDSVGGF-HNNXBMFYSA-N 2 0 304.482 2.824 20 0 DFADRP Cc1nccn1C[C@H](C)C[NH2+]C1CC[NH+](C2CCCC2)CC1 ZINC000370634881 428260763 /nfs/dbraw/zinc/26/07/63/428260763.db2.gz NHSBTXVTDSVGGF-OAHLLOKOSA-N 2 0 304.482 2.824 20 0 DFADRP CC[N@@H+]1CC[C@H]([NH2+][C@H]2CCN(c3ccc(F)cc3)C2)[C@@H](C)C1 ZINC000414344239 428262916 /nfs/dbraw/zinc/26/29/16/428262916.db2.gz KIVZSCKUVKEFLM-ZVZYQTTQSA-N 2 0 305.441 2.724 20 0 DFADRP [NH3+][C@@H](CC(=O)N1CCC[C@H]([NH+]2CCCCC2)C1)c1ccccc1 ZINC000370860671 428309198 /nfs/dbraw/zinc/30/91/98/428309198.db2.gz JNDCWAYUXJEHPT-ROUUACIJSA-N 2 0 315.461 2.553 20 0 DFADRP [NH3+]C1(C[NH2+]CCC(=O)Nc2c(Cl)cccc2Cl)CCC1 ZINC000342130111 428313555 /nfs/dbraw/zinc/31/35/55/428313555.db2.gz LFAXXPMNHQWDKM-UHFFFAOYSA-N 2 0 316.232 2.793 20 0 DFADRP [NH3+]CCN(c1ccc2ccccc2n1)[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000414485306 428316653 /nfs/dbraw/zinc/31/66/53/428316653.db2.gz HWXZEAKLLWVYOU-DLBZAZTESA-N 2 0 310.445 2.627 20 0 DFADRP C[N@H+](Cc1ccccc1)CC(C)(C)CN1CC[NH2+]C(C)(C)C1 ZINC000352949673 428323683 /nfs/dbraw/zinc/32/36/83/428323683.db2.gz YSUDAASXEPIGOL-UHFFFAOYSA-N 2 0 303.494 2.828 20 0 DFADRP CO[C@](C)([C@H](C)[NH2+]Cc1cn(-c2cc[nH+]cc2)nc1C)C1CC1 ZINC000414504391 428325090 /nfs/dbraw/zinc/32/50/90/428325090.db2.gz SLNJMWABFAJVRZ-KBXCAEBGSA-N 2 0 314.433 2.869 20 0 DFADRP C[C@H]([NH2+]C[C@H]1CCCN(Cc2cccnc2)C1)C1CCOCC1 ZINC000378169645 428325637 /nfs/dbraw/zinc/32/56/37/428325637.db2.gz PQMHVIGHNPAIDH-FUHWJXTLSA-N 2 0 317.477 2.698 20 0 DFADRP C[C@@H]([NH3+])c1ccc(NC(=O)C2([NH+](C)C)Cc3ccccc3C2)cc1 ZINC000378187705 428328188 /nfs/dbraw/zinc/32/81/88/428328188.db2.gz OVSFPACMOMUXPE-CQSZACIVSA-N 2 0 323.440 2.744 20 0 DFADRP COC[C@H]([NH2+][C@H]1CCN(Cc2cnc(C)s2)C[C@@H]1C)C1CC1 ZINC000378181715 428328961 /nfs/dbraw/zinc/32/89/61/428328961.db2.gz BUMRZVIMYJOPPI-ZLIFDBKOSA-N 2 0 323.506 2.677 20 0 DFADRP c1cc2c(c([C@H]3CCC[N@H+]3C[C@@H]3CCC[NH2+]C3)c1)OCCO2 ZINC000346825094 428330883 /nfs/dbraw/zinc/33/08/83/428330883.db2.gz ANVQMNUYKQVDNU-GDBMZVCRSA-N 2 0 302.418 2.594 20 0 DFADRP Cc1ccc(-c2n[nH]cc2C[N@@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)cc1 ZINC000346826743 428333999 /nfs/dbraw/zinc/33/39/99/428333999.db2.gz MNIFVNMOTYQVDD-CGTJXYLNSA-N 2 0 310.445 2.944 20 0 DFADRP Cc1nn(C(C)(C)C)c(C)c1C[N@@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000346832607 428338016 /nfs/dbraw/zinc/33/80/16/428338016.db2.gz LPPJGWASZSFCHY-XIRDDKMYSA-N 2 0 304.482 2.814 20 0 DFADRP COc1cc(C[N@@H+]2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)c(SC)cc1OC ZINC000346840529 428343476 /nfs/dbraw/zinc/34/34/76/428343476.db2.gz FVHRBOBRPGNVFL-UBHSHLNASA-N 2 0 322.474 2.595 20 0 DFADRP [NH3+][C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3OCc3ccccn3)C[C@H]12 ZINC000346850605 428345567 /nfs/dbraw/zinc/34/55/67/428345567.db2.gz UTBNJAIPKQBPPF-ZYSHUDEJSA-N 2 0 323.440 2.830 20 0 DFADRP CCN(CC)c1ncc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)s1 ZINC000346856848 428348060 /nfs/dbraw/zinc/34/80/60/428348060.db2.gz PRXWJCCCDPNLJX-QEJZJMRPSA-N 2 0 308.495 2.549 20 0 DFADRP C[C@H](C(=O)Nc1cccc2ccccc21)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000360567470 428353008 /nfs/dbraw/zinc/35/30/08/428353008.db2.gz FFXYXXZIAGKAQQ-QRWLVFNGSA-N 2 0 323.440 2.852 20 0 DFADRP Cc1ccc(CN[C@@H]2c3ccccc3CC[C@@H]2n2ccnc2)nn1 ZINC000414448399 428301554 /nfs/dbraw/zinc/30/15/54/428301554.db2.gz ZRWHLXFFEUZOLT-RBUKOAKNSA-N 2 0 319.412 3.000 20 0 DFADRP Cc1ccc(CN[C@H]2c3ccccc3CC[C@H]2n2ccnc2)nn1 ZINC000414448397 428302137 /nfs/dbraw/zinc/30/21/37/428302137.db2.gz ZRWHLXFFEUZOLT-MOPGFXCFSA-N 2 0 319.412 3.000 20 0 DFADRP COC(=O)[C@@]12C[N@H+](CCC[NH+]3CCCCC3)C[C@@H]1CCCC2 ZINC000342110126 428303838 /nfs/dbraw/zinc/30/38/38/428303838.db2.gz CVQKWGUBBJCHQY-WMZOPIPTSA-N 2 0 308.466 2.528 20 0 DFADRP C[C@@H]1C[C@@H](C[NH+]2CCC(NC(=O)C3CCCCC3)CC2)CC[NH2+]1 ZINC000414737722 428391551 /nfs/dbraw/zinc/39/15/51/428391551.db2.gz DLNSBSZKQXNSOR-CVEARBPZSA-N 2 0 321.509 2.535 20 0 DFADRP Cc1ncsc1C[N@@H+](C)C[C@H]1CCN(C[C@H]([NH3+])CC(C)C)C1 ZINC000414736878 428391678 /nfs/dbraw/zinc/39/16/78/428391678.db2.gz GUIYRSKPEYKKQN-HZPDHXFCSA-N 2 0 324.538 2.579 20 0 DFADRP CCc1ccc(C[N@H+](C)[C@@H]2CCN(C3CC[NH+](C)CC3)C2)cc1 ZINC000378437787 428394525 /nfs/dbraw/zinc/39/45/25/428394525.db2.gz XYYYKCJRSBSJKM-HXUWFJFHSA-N 2 0 315.505 2.849 20 0 DFADRP C[C@@H](C[N@@H+]1C[C@@H](C[NH3+])C2(C1)CCOCC2)c1ccc(F)cc1 ZINC000414774061 428400224 /nfs/dbraw/zinc/40/02/24/428400224.db2.gz FDPLXHZQGAUMCE-GOEBONIOSA-N 2 0 306.425 2.617 20 0 DFADRP CCCn1nc(C)c(C[N@@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)c1C ZINC000414773301 428402047 /nfs/dbraw/zinc/40/20/47/428402047.db2.gz DJFAHNYJJAPXLZ-IRXDYDNUSA-N 2 0 304.482 2.731 20 0 DFADRP C[C@@H](Cc1ccccc1)C[NH+]1CCC([C@@H]2OCC[C@H]2[NH3+])CC1 ZINC000414776737 428404074 /nfs/dbraw/zinc/40/40/74/428404074.db2.gz NZETWMISYWBQFP-IPELMVKDSA-N 2 0 302.462 2.693 20 0 DFADRP CC[NH2+]CC1CC[NH+](Cc2cc(OC)cc3c2O[C@H](C)C3)CC1 ZINC000347005116 428404631 /nfs/dbraw/zinc/40/46/31/428404631.db2.gz BBHDBYGDUWWCOG-CQSZACIVSA-N 2 0 318.461 2.840 20 0 DFADRP Cc1ccc(C[NH+]2CCC([C@@H]3OCC[C@H]3[NH3+])CC2)cc1Cl ZINC000414782941 428405981 /nfs/dbraw/zinc/40/59/81/428405981.db2.gz YCPRSNLMOWSFEF-SJORKVTESA-N 2 0 308.853 2.977 20 0 DFADRP c1cc(N2CCCC2)ncc1C[N@@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000414785728 428406476 /nfs/dbraw/zinc/40/64/76/428406476.db2.gz TUTJEAGZCHCDRS-ZWKOTPCHSA-N 2 0 314.477 2.503 20 0 DFADRP C[C@H](CCc1ccccc1)C[N@@H+]1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000414784107 428406620 /nfs/dbraw/zinc/40/66/20/428406620.db2.gz QUBZYKVLJLFSPL-MJGOQNOKSA-N 2 0 316.489 2.943 20 0 DFADRP C[C@@H](Cc1ccccc1)C[N@@H+]1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000414785430 428406680 /nfs/dbraw/zinc/40/66/80/428406680.db2.gz SRCYOHSVIBSTEQ-FUHWJXTLSA-N 2 0 302.462 2.553 20 0 DFADRP C[C@@H](CCc1ccccc1)C[N@@H+]1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000414784103 428407073 /nfs/dbraw/zinc/40/70/73/428407073.db2.gz QUBZYKVLJLFSPL-HKUYNNGSSA-N 2 0 316.489 2.943 20 0 DFADRP COc1ccc(C[N@@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)cc1OC ZINC000414785047 428407154 /nfs/dbraw/zinc/40/71/54/428407154.db2.gz SBDRMZWHEKTVEM-JKSUJKDBSA-N 2 0 304.434 2.525 20 0 DFADRP CC(C)[C@H]([NH3+])CNC1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000414790006 428408972 /nfs/dbraw/zinc/40/89/72/428408972.db2.gz GGGSJAXJFAPBEK-QGZVFWFLSA-N 2 0 309.885 2.877 20 0 DFADRP c1nc(-c2ccccc2)[nH]c1C[N@@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000414789271 428410794 /nfs/dbraw/zinc/41/07/94/428410794.db2.gz YHKNACVJYJHUHW-SJORKVTESA-N 2 0 310.445 2.898 20 0 DFADRP COc1ccc(OC)c(C[N@@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)c1 ZINC000414786696 428411258 /nfs/dbraw/zinc/41/12/58/428411258.db2.gz UTBATBKSSCSWEW-HUUCEWRRSA-N 2 0 304.434 2.525 20 0 DFADRP C[C@H]([NH2+]C[C@H]1CN2CCCC[C@H]2CO1)c1ccc(F)c(F)c1 ZINC000378310436 428360637 /nfs/dbraw/zinc/36/06/37/428360637.db2.gz JTVVVKHHIPSBGX-QEJZJMRPSA-N 2 0 310.388 2.869 20 0 DFADRP C[NH2+][C@@H](C)Cc1noc(C(C)(C)Cc2nc3ccccc3[nH]2)n1 ZINC000414655312 428364618 /nfs/dbraw/zinc/36/46/18/428364618.db2.gz ZPCNGEAUZGUTGN-NSHDSACASA-N 2 0 313.405 2.617 20 0 DFADRP CC(C)CC[NH+](CCC(C)C)C[C@@H]1CCCN(C(=O)C[NH3+])C1 ZINC000414664497 428367206 /nfs/dbraw/zinc/36/72/06/428367206.db2.gz CLFLKVRBXTXZAT-KRWDZBQOSA-N 2 0 311.514 2.578 20 0 DFADRP C[N@@H+]1CCC[C@@H]1CC[NH+]1CCC(O)(Cc2ccc(F)cc2)CC1 ZINC000360617851 428371471 /nfs/dbraw/zinc/37/14/71/428371471.db2.gz HICPUPXGRHREMC-GOSISDBHSA-N 2 0 320.452 2.679 20 0 DFADRP C[C@@H]1C[C@H](C[N@H+](CCO)[C@H]2CCCc3ccccc32)CC[NH2+]1 ZINC000414690219 428374726 /nfs/dbraw/zinc/37/47/26/428374726.db2.gz HKOZDMFVDHMDRL-MDZRGWNJSA-N 2 0 302.462 2.746 20 0 DFADRP c1nc([C@H]2CCCO2)sc1C[NH+]1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000357050432 428374951 /nfs/dbraw/zinc/37/49/51/428374951.db2.gz MLRFLYINTIDKAC-GDBMZVCRSA-N 2 0 321.490 2.816 20 0 DFADRP C[C@@H]1C[C@H](C[N@H+](CCO)[C@@H]2CCCc3ccccc32)CC[NH2+]1 ZINC000414690214 428375943 /nfs/dbraw/zinc/37/59/43/428375943.db2.gz HKOZDMFVDHMDRL-GPMSIDNRSA-N 2 0 302.462 2.746 20 0 DFADRP CN(CC[NH3+])C(=O)Nc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000414707369 428380283 /nfs/dbraw/zinc/38/02/83/428380283.db2.gz HSRSCRALBKIWJA-UHFFFAOYSA-N 2 0 318.465 2.874 20 0 DFADRP C[C@@H]1C[C@H](C[N@H+](C)CC2CCN(c3cc[nH+]cc3)CC2)CC[NH2+]1 ZINC000414704221 428380623 /nfs/dbraw/zinc/38/06/23/428380623.db2.gz CZGVNHDTGBVGME-SJLPKXTDSA-N 2 0 316.493 2.618 20 0 DFADRP C[C@@H]1C[C@H](C[N@@H+]2CCC[C@H]2c2ccc3c(c2)OCO3)CC[NH2+]1 ZINC000414701179 428381049 /nfs/dbraw/zinc/38/10/49/428381049.db2.gz UDXZDVMVAUAZMX-FMKPAKJESA-N 2 0 302.418 2.940 20 0 DFADRP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@@H+]2Cc1cccc2[nH]ccc21 ZINC000378367798 428381007 /nfs/dbraw/zinc/38/10/07/428381007.db2.gz DYGBPWZUQLKWBT-LZQZEXGQSA-N 2 0 313.445 2.851 20 0 DFADRP C[C@H](CC(=O)Nc1cccc(F)c1)[NH2+][C@@H]1CCCC[C@H]1C[NH3+] ZINC000414790843 428413663 /nfs/dbraw/zinc/41/36/63/428413663.db2.gz ALJZCJOGHUNDBC-DVOMOZLQSA-N 2 0 307.413 2.650 20 0 DFADRP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@@H+]2Cc1cccc2[nH]ccc21 ZINC000378367799 428381388 /nfs/dbraw/zinc/38/13/88/428381388.db2.gz DYGBPWZUQLKWBT-MNEFBYGVSA-N 2 0 313.445 2.851 20 0 DFADRP C[C@@H]1C[C@@H](C[N@@H+]2CCC[C@H]2c2ccc3c(c2)OCO3)CC[NH2+]1 ZINC000414701182 428381727 /nfs/dbraw/zinc/38/17/27/428381727.db2.gz UDXZDVMVAUAZMX-YCPHGPKFSA-N 2 0 302.418 2.940 20 0 DFADRP CC[C@@H]1C[C@H](C)CC[C@@H]1[NH2+][C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000371338103 428381999 /nfs/dbraw/zinc/38/19/99/428381999.db2.gz YOIURSVQTLQOSN-VXNCWWDNSA-N 2 0 307.526 2.959 20 0 DFADRP [NH3+]CCOCC[N@H+](Cc1ccc2c(c1)OCO2)C1CCCCC1 ZINC000357079845 428382508 /nfs/dbraw/zinc/38/25/08/428382508.db2.gz LPCBOMHPWNEZEK-UHFFFAOYSA-N 2 0 320.433 2.525 20 0 DFADRP C[C@@H]1C[C@@H](C[NH+]2CCC(CCC[NH+]3CCCC3)CC2)CC[NH2+]1 ZINC000414714594 428382831 /nfs/dbraw/zinc/38/28/31/428382831.db2.gz XOCLXOONIAVVMK-MJGOQNOKSA-N 3 0 307.526 2.963 20 0 DFADRP CCN(CC)C(=O)CCC1CC[NH+](C[C@@H]2CC[NH2+][C@@H](C)C2)CC1 ZINC000414714579 428383076 /nfs/dbraw/zinc/38/30/76/428383076.db2.gz QJJVMMGZWRSVDU-FUHWJXTLSA-N 2 0 323.525 2.735 20 0 DFADRP C[C@@H]1C[C@@H](CN(C)Cc2nc(C(F)(F)F)cs2)CC[NH2+]1 ZINC000414713720 428383316 /nfs/dbraw/zinc/38/33/16/428383316.db2.gz WQKCFPHJZGOUBZ-ZJUUUORDSA-N 2 0 307.385 2.982 20 0 DFADRP CCN(C[C@@H]1CC[N@H+](C[C@@H]2CC[NH2+][C@H](C)C2)C1)CC(F)(F)F ZINC000414711481 428384032 /nfs/dbraw/zinc/38/40/32/428384032.db2.gz SNFJZTPPOZBSAP-KFWWJZLASA-N 2 0 321.431 2.581 20 0 DFADRP C[N@H+](Cc1ccccc1NC(=O)NCCC[NH3+])C1CCCCC1 ZINC000414713336 428384505 /nfs/dbraw/zinc/38/45/05/428384505.db2.gz OWFVZKFWCUGOPX-UHFFFAOYSA-N 2 0 318.465 2.921 20 0 DFADRP C[C@@H]1C[C@H](C[N@@H+]2C[C@@H](C)O[C@H](c3ccc(F)cc3)C2)CC[NH2+]1 ZINC000414715348 428384898 /nfs/dbraw/zinc/38/48/98/428384898.db2.gz WINCYHSHUWGTQR-ADAWSYLGSA-N 2 0 306.425 2.976 20 0 DFADRP CC(C)[N@@H+]1CCc2nc(CN[C@@H]3CCCC[C@H]3C[NH3+])sc2C1 ZINC000414793122 428413835 /nfs/dbraw/zinc/41/38/35/428413835.db2.gz DECBZDJPMIEBNQ-UONOGXRCSA-N 2 0 322.522 2.517 20 0 DFADRP CSC1(C[NH2+]CC2=Cc3ccccc3OC2)CC[NH+](C)CC1 ZINC000353215462 428434177 /nfs/dbraw/zinc/43/41/77/428434177.db2.gz DVEZBMYACYNFBP-UHFFFAOYSA-N 2 0 318.486 2.879 20 0 DFADRP C[C@H]([NH3+])[C@@H]1CCCN(Cc2cnn(-c3ccc(F)cc3)c2)C1 ZINC000347078578 428435358 /nfs/dbraw/zinc/43/53/58/428435358.db2.gz WCIZIFZAIXTWNR-DZGCQCFKSA-N 2 0 302.397 2.571 20 0 DFADRP C[C@H](Cc1ccc(Br)cc1)[NH2+]CC[C@H]1CC[NH2+]C1 ZINC000414856685 428436011 /nfs/dbraw/zinc/43/60/11/428436011.db2.gz YXWIVFVOJRSDOV-TZMCWYRMSA-N 2 0 311.267 2.969 20 0 DFADRP C[NH2+]CCC[NH2+][C@H](C)Cc1ccc(Br)cc1F ZINC000414858454 428436616 /nfs/dbraw/zinc/43/66/16/428436616.db2.gz JKSUMBYQOLFNGJ-SNVBAGLBSA-N 2 0 303.219 2.718 20 0 DFADRP C[C@H]1CCC[N@H+](Cc2ccc(NC(=O)[C@]3(F)CC[NH2+]C3)cc2)C1 ZINC000372397155 428438032 /nfs/dbraw/zinc/43/80/32/428438032.db2.gz AQFCSSOWMRACEG-KSSFIOAISA-N 2 0 319.424 2.559 20 0 DFADRP C[C@H](C[NH3+])C[NH2+]Cc1cc(Br)ccc1OC(F)F ZINC000414869619 428438113 /nfs/dbraw/zinc/43/81/13/428438113.db2.gz AYORHDHCLZPKTO-MRVPVSSYSA-N 2 0 323.181 2.735 20 0 DFADRP Fc1ccccc1-c1ccc(C[NH2+]CCN2CC[NH2+]CC2)s1 ZINC000414867050 428438298 /nfs/dbraw/zinc/43/82/98/428438298.db2.gz NVUVYBCDVBPUKW-UHFFFAOYSA-N 2 0 319.449 2.549 20 0 DFADRP Clc1cc(CN[C@@H]2CCC[NH2+]C2)ccc1Br ZINC000414871247 428440231 /nfs/dbraw/zinc/44/02/31/428440231.db2.gz UHHQKJNJCXVGBZ-SNVBAGLBSA-N 2 0 303.631 2.944 20 0 DFADRP COc1ccc(CN2C[C@@H]3C[N@@H+]4CCCC[C@H]4[C@@H]3C2)cc1OC ZINC000360791967 428440795 /nfs/dbraw/zinc/44/07/95/428440795.db2.gz RGWIJKYZONTDPO-ZACQAIPSSA-N 2 0 316.445 2.620 20 0 DFADRP CC(C)(C)c1n[nH]cc1CN1C[C@@H]2C[N@@H+]3CCCC[C@H]3[C@H]2C1 ZINC000360790846 428440926 /nfs/dbraw/zinc/44/09/26/428440926.db2.gz JUIGTCAZRWEQRQ-PMPSAXMXSA-N 2 0 302.466 2.623 20 0 DFADRP CSC1(C[NH2+]Cc2c(C)nc3ccccn32)CC[NH+](C)CC1 ZINC000353233262 428441324 /nfs/dbraw/zinc/44/13/24/428441324.db2.gz WSPMIYOWXDSROQ-UHFFFAOYSA-N 2 0 318.490 2.560 20 0 DFADRP C[C@@H]1C[N@H+](C)CC[C@H]1NC[C@H]1CCCC[NH+]1Cc1ccccc1 ZINC000360863040 428470335 /nfs/dbraw/zinc/47/03/35/428470335.db2.gz YQIQNLJNNWRWAO-MISYRCLQSA-N 2 0 315.505 2.971 20 0 DFADRP CC(C)[N@H+](C)CCN[C@H](C)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000357229657 428446013 /nfs/dbraw/zinc/44/60/13/428446013.db2.gz IHWHLZFJQONBFP-IEBWSBKVSA-N 2 0 303.494 2.827 20 0 DFADRP C[C@H]([NH3+])[C@H]1CCCN(Cc2cnc(-c3ccccn3)s2)C1 ZINC000347104047 428446462 /nfs/dbraw/zinc/44/64/62/428446462.db2.gz KWKIOLLQLDONJM-STQMWFEESA-N 2 0 302.447 2.764 20 0 DFADRP COc1ccc(CN2CCC[C@H](C[NH3+])C2)cc1OCC(C)C ZINC000347106619 428447686 /nfs/dbraw/zinc/44/76/86/428447686.db2.gz LXHJITBSUCUBJC-MRXNPFEDSA-N 2 0 306.450 2.901 20 0 DFADRP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)Cc2nc(C3CC3)cs2)CC1 ZINC000342759265 428448130 /nfs/dbraw/zinc/44/81/30/428448130.db2.gz XPCFKDYRLJSMNT-CYBMUJFWSA-N 2 0 323.506 2.545 20 0 DFADRP Cc1ccc(Cl)cc1NC(=O)C[C@@H](C)[NH2+]C[C@H]([NH3+])C1CC1 ZINC000414895656 428449821 /nfs/dbraw/zinc/44/98/21/428449821.db2.gz YLNKKSREWJHHRJ-RISCZKNCSA-N 2 0 309.841 2.692 20 0 DFADRP CCOc1c(OC)cc(C[NH2+]CC2(C)CC[NH2+]CC2)cc1OC ZINC000414899064 428450345 /nfs/dbraw/zinc/45/03/45/428450345.db2.gz GTNPSTWPEITMOP-UHFFFAOYSA-N 2 0 322.449 2.582 20 0 DFADRP Cc1nn(-c2cccc(F)c2)cc1C[NH2+]CC1(C)CC[NH2+]CC1 ZINC000414897305 428450690 /nfs/dbraw/zinc/45/06/90/428450690.db2.gz DKGRBERPHRFNCQ-UHFFFAOYSA-N 2 0 316.424 2.799 20 0 DFADRP CC[NH+]1CCN([C@H](C)C[NH2+][C@H](C)C2CCC(F)(F)CC2)CC1 ZINC000353249321 428450921 /nfs/dbraw/zinc/45/09/21/428450921.db2.gz LVSZEPVYWMMRCS-HUUCEWRRSA-N 2 0 317.468 2.816 20 0 DFADRP COc1cc(C[NH+]2CCC([C@@H](C)[NH3+])CC2)c(SC)cc1OC ZINC000347114512 428452002 /nfs/dbraw/zinc/45/20/02/428452002.db2.gz TXSDCETYIRMMSE-GFCCVEGCSA-N 2 0 324.490 2.985 20 0 DFADRP CC(C)[C@H]([NH3+])CC(=O)NC[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000379655315 428452211 /nfs/dbraw/zinc/45/22/11/428452211.db2.gz LLCUFQLWCSCUJD-ZWKOTPCHSA-N 2 0 317.477 2.531 20 0 DFADRP COCCC[NH+]1CCC([NH2+][C@@H]2CCc3c2cccc3OC)CC1 ZINC000360821944 428452209 /nfs/dbraw/zinc/45/22/09/428452209.db2.gz NTKDSGBMZVLEDB-GOSISDBHSA-N 2 0 318.461 2.773 20 0 DFADRP CCCCOc1ccc(C[NH2+]C[C@@H]2CC[NH2+]C2)cc1OCC ZINC000414908101 428452305 /nfs/dbraw/zinc/45/23/05/428452305.db2.gz NXEOZFDMDOSYSZ-MRXNPFEDSA-N 2 0 306.450 2.963 20 0 DFADRP COc1cc(Br)ccc1C[NH2+][C@@H]1CCC[C@H]([NH3+])C1 ZINC000414908560 428452350 /nfs/dbraw/zinc/45/23/50/428452350.db2.gz BOHOCIDXJCXBAI-QWHCGFSZSA-N 2 0 313.239 2.817 20 0 DFADRP Cc1ccc(NC(=O)C[C@@H](C)[NH2+]C[C@H]2CC[NH2+]C2)c(Cl)c1 ZINC000414902351 428452420 /nfs/dbraw/zinc/45/24/20/428452420.db2.gz HFHPHXAURHFPES-OLZOCXBDSA-N 2 0 309.841 2.565 20 0 DFADRP CC(C)c1ccc(NC(=O)C[C@H](C)[NH2+]C[C@@H]2CC[NH2+]C2)cc1 ZINC000414902853 428452433 /nfs/dbraw/zinc/45/24/33/428452433.db2.gz HTENBXDRVQCEDG-LSDHHAIUSA-N 2 0 303.450 2.726 20 0 DFADRP CC[C@H](C[NH+]1CCC([N@H+](C)C[C@@H](C)O)CC1)c1ccccc1 ZINC000353260975 428453968 /nfs/dbraw/zinc/45/39/68/428453968.db2.gz PJRUGIHEYYRVRI-IAGOWNOFSA-N 2 0 304.478 2.957 20 0 DFADRP CC[C@@H](C[NH+]1CCC([N@H+](C)C[C@@H](C)O)CC1)c1ccccc1 ZINC000353260989 428454399 /nfs/dbraw/zinc/45/43/99/428454399.db2.gz PJRUGIHEYYRVRI-SJORKVTESA-N 2 0 304.478 2.957 20 0 DFADRP Clc1cc(C[NH2+][C@@H]2CCC[NH2+]CC2)cc2c1OCCCO2 ZINC000414909368 428454820 /nfs/dbraw/zinc/45/48/20/428454820.db2.gz DJNSZRFESUHWSW-CYBMUJFWSA-N 2 0 310.825 2.733 20 0 DFADRP Cn1cc(-c2ccc(C[NH2+]CC3(C)CC[NH2+]CC3)s2)cn1 ZINC000414914252 428454862 /nfs/dbraw/zinc/45/48/62/428454862.db2.gz XSQPJIJKMBCMKK-UHFFFAOYSA-N 2 0 304.463 2.628 20 0 DFADRP C[NH2+]C[C@@H]1CCN(Cc2ccccc2OCc2ccccn2)C1 ZINC000347125321 428456651 /nfs/dbraw/zinc/45/66/51/428456651.db2.gz YBKWSPFVEVQSKJ-INIZCTEOSA-N 2 0 311.429 2.702 20 0 DFADRP COc1ccc(C[C@@H](C)[NH2+]C[C@]2(C)CCC[NH2+]C2)cc1OC ZINC000414918995 428456786 /nfs/dbraw/zinc/45/67/86/428456786.db2.gz VQYMIGZOORWDPV-RDTXWAMCSA-N 2 0 306.450 2.614 20 0 DFADRP Cc1cccc(NC(=O)C[C@H](C)[NH2+][C@H]2CC[NH2+]C[C@@H]2C)c1C ZINC000414934542 428461923 /nfs/dbraw/zinc/46/19/23/428461923.db2.gz FDWRCTYUCVUSCX-DZKIICNBSA-N 2 0 303.450 2.608 20 0 DFADRP CC[NH+](CC)CCOCC[NH2+][C@@H]1CCCC[C@@H]1[C@@H]1CCOC1 ZINC000353272678 428462444 /nfs/dbraw/zinc/46/24/44/428462444.db2.gz OYZILEQFATZDSV-KZNAEPCWSA-N 2 0 312.498 2.530 20 0 DFADRP Cc1cccc(NC(=O)C[C@H](C)[NH2+][C@@H]2CC[NH2+]C[C@@H]2C)c1C ZINC000414934546 428463335 /nfs/dbraw/zinc/46/33/35/428463335.db2.gz FDWRCTYUCVUSCX-OFQRWUPVSA-N 2 0 303.450 2.608 20 0 DFADRP CC[C@H](N[C@@H]1CC[N@H+](C)[C@H](C)C1)c1nnc2n1CCCCC2 ZINC000360850138 428463473 /nfs/dbraw/zinc/46/34/73/428463473.db2.gz BCNFEXHTAWTZIF-KFWWJZLASA-N 2 0 305.470 2.528 20 0 DFADRP C[C@H]([NH2+]CCCC[NH+]1CCOCC1)C1CCC(F)(F)CC1 ZINC000353276457 428463720 /nfs/dbraw/zinc/46/37/20/428463720.db2.gz MHYOMGPPIRXEOF-AWEZNQCLSA-N 2 0 304.425 2.902 20 0 DFADRP C[C@H](CC[NH+](C)C)[NH2+][C@@H](C)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000360854535 428465492 /nfs/dbraw/zinc/46/54/92/428465492.db2.gz COTQIBCGDRPBEE-OLZOCXBDSA-N 2 0 303.450 2.907 20 0 DFADRP COc1cc(C[NH2+]C2(C)CC[NH2+]CC2)ccc1OC(F)F ZINC000414945089 428466905 /nfs/dbraw/zinc/46/69/05/428466905.db2.gz QUCPSCJZIDVNBU-UHFFFAOYSA-N 2 0 300.349 2.528 20 0 DFADRP C[C@H](CC(=O)Nc1cccc(Cl)c1)[NH2+][C@@H]1CC[NH2+]C[C@H]1C ZINC000414948167 428469263 /nfs/dbraw/zinc/46/92/63/428469263.db2.gz XWLAGHSOEUHHKC-LALPHHSUSA-N 2 0 309.841 2.645 20 0 DFADRP COC(=O)c1ccc(Cl)c(C[NH2+][C@H]2CCCC[C@H]2C[NH3+])c1 ZINC000414803279 428416078 /nfs/dbraw/zinc/41/60/78/428416078.db2.gz NNYVWFFYALCPAZ-WFASDCNBSA-N 2 0 310.825 2.734 20 0 DFADRP CC(C)[C@@H]([NH3+])CNC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000414800271 428416337 /nfs/dbraw/zinc/41/63/37/428416337.db2.gz SBDDLSZTWMPSIV-IPQPSQTFSA-N 2 0 301.478 2.755 20 0 DFADRP COc1ccc(NC(=O)C[C@H](C)[NH2+][C@@H]2CCCC[C@H]2C[NH3+])cc1 ZINC000414799695 428416393 /nfs/dbraw/zinc/41/63/93/428416393.db2.gz KIPWAARHWRMLEL-GRDNDAEWSA-N 2 0 319.449 2.519 20 0 DFADRP COc1ccc(C[C@H](C)[NH2+][C@H]2CCCC[C@@H]2C[NH3+])cc1OC ZINC000414805956 428417801 /nfs/dbraw/zinc/41/78/01/428417801.db2.gz PZXKBVKRMHGPMF-IMJJTQAJSA-N 2 0 306.450 2.742 20 0 DFADRP C[C@H](CCc1ccc2c(c1)OCO2)[NH2+][C@H]1CCCC[C@@H]1C[NH3+] ZINC000414811044 428418693 /nfs/dbraw/zinc/41/86/93/428418693.db2.gz VZFUKIZCTARTSI-BMFZPTHFSA-N 2 0 304.434 2.844 20 0 DFADRP CCCC[C@H](C[NH3+])NC1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000414807831 428418932 /nfs/dbraw/zinc/41/89/32/428418932.db2.gz DGLJCDXYJANSIH-LJQANCHMSA-N 2 0 321.484 2.940 20 0 DFADRP CC(C)[NH+]1CCC(NC(=O)C[NH+]2CC(C)(C)CC(C)(C)C2)CC1 ZINC000342369622 428420977 /nfs/dbraw/zinc/42/09/77/428420977.db2.gz SXSYCPFZBHOASL-UHFFFAOYSA-N 2 0 323.525 2.734 20 0 DFADRP C[C@H]([NH3+])c1ccc(C[NH2+]C2CCN(c3ccccn3)CC2)cc1 ZINC000414812832 428422628 /nfs/dbraw/zinc/42/26/28/428422628.db2.gz SAOGIMRVHDLPIW-HNNXBMFYSA-N 2 0 310.445 2.860 20 0 DFADRP C[N@@H+]1CCC[C@@H]2C[NH+](C[C@H](O)Cc3cccc(Cl)c3)CC[C@H]21 ZINC000347045947 428422820 /nfs/dbraw/zinc/42/28/20/428422820.db2.gz GTVPQSVSPMSTRP-KBAYOESNSA-N 2 0 322.880 2.660 20 0 DFADRP FC(F)(F)COc1ccccc1C[NH2+]CC[C@H]1CC[NH2+]C1 ZINC000414826569 428423587 /nfs/dbraw/zinc/42/35/87/428423587.db2.gz FSHJYWQSBRRHGI-GFCCVEGCSA-N 2 0 302.340 2.717 20 0 DFADRP Cc1cc(C[NH2+]C[C@@H]2CCC[NH2+]C2)sc1Br ZINC000414826470 428425341 /nfs/dbraw/zinc/42/53/41/428425341.db2.gz IXQBBLKTWOHSMO-SNVBAGLBSA-N 2 0 303.269 2.908 20 0 DFADRP FC(F)(F)CCN1CCC([NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)CC1 ZINC000378553125 428425411 /nfs/dbraw/zinc/42/54/11/428425411.db2.gz SDEBEJOXBNFSRY-GJZGRUSLSA-N 2 0 319.415 2.620 20 0 DFADRP CCC(C)(C)[NH2+][C@H](C)C(=O)NC[C@@H](c1ccc(C)cc1)[NH+](C)C ZINC000347049363 428425464 /nfs/dbraw/zinc/42/54/64/428425464.db2.gz WMJYZRVHBFEGPK-WBVHZDCISA-N 2 0 319.493 2.881 20 0 DFADRP Cc1cccc(NC(=O)C[C@H](C)[NH2+]CC[C@H]2CC[NH2+]C2)c1C ZINC000414827152 428425618 /nfs/dbraw/zinc/42/56/18/428425618.db2.gz GRTRINHTJQCGKW-GOEBONIOSA-N 2 0 303.450 2.610 20 0 DFADRP COc1ccc(C[NH2+]C[C@H]2CCC[NH2+]C2)cc1OCC(C)C ZINC000414821691 428425736 /nfs/dbraw/zinc/42/57/36/428425736.db2.gz BOONTLFRVMHJDX-INIZCTEOSA-N 2 0 306.450 2.819 20 0 DFADRP CC[C@H](Cc1ccc(OC)c(OC)c1)[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000414826061 428425800 /nfs/dbraw/zinc/42/58/00/428425800.db2.gz ICCPLZRZFNTOLE-VPSFDDGASA-N 2 0 318.461 2.898 20 0 DFADRP CCc1ccccc1NC(=O)C[C@@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000414828750 428426536 /nfs/dbraw/zinc/42/65/36/428426536.db2.gz MOOMYAKRGLQUBC-KTFSGNIMSA-N 2 0 315.461 2.839 20 0 DFADRP CCCCOc1cc(C[NH2+]CC[C@H]2CC[NH2+]C2)ccc1OC ZINC000414829204 428427519 /nfs/dbraw/zinc/42/75/19/428427519.db2.gz KJDWIFWCMVUKFI-OAHLLOKOSA-N 2 0 306.450 2.963 20 0 DFADRP C[C@@H]1C[C@H](NC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC[N@@H+]1Cc1ccccc1 ZINC000414831138 428428437 /nfs/dbraw/zinc/42/84/37/428428437.db2.gz PPELVLMRTMMMGY-FIBJEGPVSA-N 2 0 313.489 2.912 20 0 DFADRP Cc1ccc(NC(=O)C[C@@H](C)[NH2+]C[C@H]2CCC[NH2+]C2)c(Cl)c1 ZINC000414836999 428428853 /nfs/dbraw/zinc/42/88/53/428428853.db2.gz VHWIMURDDCHURF-KGLIPLIRSA-N 2 0 323.868 2.955 20 0 DFADRP C[NH2+]C[C@@H](C)C[NH2+][C@@H](C)CC(=O)Nc1ccc(C)cc1Cl ZINC000414844439 428429247 /nfs/dbraw/zinc/42/92/47/428429247.db2.gz RJDXRSUSSAOSSO-OLZOCXBDSA-N 2 0 311.857 2.811 20 0 DFADRP c1ccc(CN2CCC([NH2+]CC[C@H]3CCC[NH2+]C3)CC2)cc1 ZINC000414840231 428429978 /nfs/dbraw/zinc/42/99/78/428429978.db2.gz MURBSBIUHGSUMC-QGZVFWFLSA-N 2 0 301.478 2.630 20 0 DFADRP COc1ccc(NC(=O)C[C@H](C)[NH2+]CC2([NH3+])CCCCC2)cc1 ZINC000414844696 428430012 /nfs/dbraw/zinc/43/00/12/428430012.db2.gz QDGSWVUFTPZLJJ-AWEZNQCLSA-N 2 0 319.449 2.664 20 0 DFADRP COc1ccc(C[C@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1OC ZINC000414841967 428430174 /nfs/dbraw/zinc/43/01/74/428430174.db2.gz ZTUQOGILJIQCNP-NTQSIJHJSA-N 2 0 304.434 2.507 20 0 DFADRP C[C@@H](c1nc(-c2cccc(F)c2)no1)N1CC[C@H](C[NH+](C)C)C1 ZINC000372330508 428430890 /nfs/dbraw/zinc/43/08/90/428430890.db2.gz LFDDNYKWRITZOG-QWHCGFSZSA-N 2 0 318.396 2.820 20 0 DFADRP CCOc1c(Cl)cc(C[NH2+]C[C@@H](C)C[NH2+]C)cc1OC ZINC000414842058 428431062 /nfs/dbraw/zinc/43/10/62/428431062.db2.gz OUAFDKRTYIAGNC-NSHDSACASA-N 2 0 300.830 2.692 20 0 DFADRP CCc1ccccc1NC(=O)C[C@H](C)[NH2+]CC[C@H]1CCC[NH2+]C1 ZINC000414836482 428431334 /nfs/dbraw/zinc/43/13/34/428431334.db2.gz JKXVZPFYUDMJTE-JKSUJKDBSA-N 2 0 317.477 2.945 20 0 DFADRP C[C@H](N[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1)[C@H]1CCC[NH2+]C1 ZINC000414847706 428431984 /nfs/dbraw/zinc/43/19/84/428431984.db2.gz FXZAFIFUGAEEOB-PBWTXFEYSA-N 2 0 301.478 2.800 20 0 DFADRP Cn1c(C[NH2+]CCC[C@@H]2CCC[NH2+]2)nc2cc(Cl)ccc21 ZINC000414978557 428479439 /nfs/dbraw/zinc/47/94/39/428479439.db2.gz TUEHHHPJTTYMPC-CYBMUJFWSA-N 2 0 306.841 2.849 20 0 DFADRP COc1cc(C[NH2+]C[C@@H]2CCC[C@@H]([NH3+])C2)cc(Cl)c1OC ZINC000414986943 428479790 /nfs/dbraw/zinc/47/97/90/428479790.db2.gz CXRMMTJWRCQXFT-DGCLKSJQSA-N 2 0 312.841 2.964 20 0 DFADRP COCCCOc1cccc(C[NH2+]C[C@@H]2CCC[C@@H]([NH3+])C2)c1 ZINC000414995129 428481867 /nfs/dbraw/zinc/48/18/67/428481867.db2.gz NBSXEVDDOSIOAD-NVXWUHKLSA-N 2 0 306.450 2.709 20 0 DFADRP [NH3+][C@@H]1CCC[C@H](C[NH2+]C2CCN(Cc3ccccc3)CC2)C1 ZINC000414992545 428482942 /nfs/dbraw/zinc/48/29/42/428482942.db2.gz BUHUQYTZBBLNJS-ZWKOTPCHSA-N 2 0 301.478 2.758 20 0 DFADRP C[C@@H](C[C@@H]1CCC[NH2+]1)NC[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC000414990571 428482994 /nfs/dbraw/zinc/48/29/94/428482994.db2.gz ABVYCUBPJYYFCU-OYSPMZIOSA-N 3 0 319.468 2.639 20 0 DFADRP [NH3+]C[C@@H]1CCC[N@H+](Cc2c[nH]nc2-c2ccc(Cl)cc2)C1 ZINC000347176753 428483122 /nfs/dbraw/zinc/48/31/22/428483122.db2.gz RCQAGUCUHGKZPJ-LBPRGKRZSA-N 2 0 304.825 2.901 20 0 DFADRP [NH3+][C@H]1CCC[C@@H](C[NH2+]Cc2cnn(-c3ccc(F)cc3)c2)C1 ZINC000415004202 428484485 /nfs/dbraw/zinc/48/44/85/428484485.db2.gz XVDBIUPXXCPOEF-CJNGLKHVSA-N 2 0 302.397 2.619 20 0 DFADRP Cn1c2cc(Cl)ccc2nc1C[NH2+]C[C@H]1CCC[C@H]([NH3+])C1 ZINC000414998169 428486246 /nfs/dbraw/zinc/48/62/46/428486246.db2.gz IAFPZAUJAUTDRE-AAEUAGOBSA-N 2 0 306.841 2.834 20 0 DFADRP CC(C)(C)[C@H](O)C[NH2+]C[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000393736733 428486469 /nfs/dbraw/zinc/48/64/69/428486469.db2.gz AEHVADYKICNDKA-QZTJIDSGSA-N 2 0 304.478 2.895 20 0 DFADRP CC(C)(C)[C@@H](O)C[NH2+]C[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000393736732 428486588 /nfs/dbraw/zinc/48/65/88/428486588.db2.gz AEHVADYKICNDKA-MSOLQXFVSA-N 2 0 304.478 2.895 20 0 DFADRP C[C@H](CCCC[NH3+])[NH2+]C1CCN(CCc2ccc(F)cc2)CC1 ZINC000415009192 428487137 /nfs/dbraw/zinc/48/71/37/428487137.db2.gz DXSWCMHLIMOMLM-MRXNPFEDSA-N 2 0 321.484 2.940 20 0 DFADRP COCC(C)(C)C[NH2+]C[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC000415011029 428487195 /nfs/dbraw/zinc/48/71/95/428487195.db2.gz VRFYZYWMYLXWDV-DOTOQJQBSA-N 2 0 308.441 2.781 20 0 DFADRP C[C@@H]([NH3+])[C@@H]1CCC[N@H+](Cc2ccc(Oc3cnccn3)cc2)C1 ZINC000347186590 428487521 /nfs/dbraw/zinc/48/75/21/428487521.db2.gz BZKARRGQAMMGHG-GDBMZVCRSA-N 2 0 312.417 2.828 20 0 DFADRP COc1ccc(C[C@@H](C)C[NH2+][C@@H]2C[C@H]2C2CC[NH2+]CC2)cc1F ZINC000415013304 428488716 /nfs/dbraw/zinc/48/87/16/428488716.db2.gz URRDKBORDSKSOI-RPVQJOFSSA-N 2 0 320.452 2.991 20 0 DFADRP COc1ccc(C[NH2+][C@H](C)CCCC[NH3+])c(OC(F)F)c1 ZINC000415013861 428488739 /nfs/dbraw/zinc/48/87/39/428488739.db2.gz LIUBCMRBGNKOHV-LLVKDONJSA-N 2 0 302.365 2.904 20 0 DFADRP CC(C)C[C@@H]([NH2+][C@H](C)c1cccc(F)c1)C(=O)NCC[NH+](C)C ZINC000347193876 428488727 /nfs/dbraw/zinc/48/87/27/428488727.db2.gz JKUIMPXYDLZRNW-RHSMWYFYSA-N 2 0 323.456 2.569 20 0 DFADRP CCc1nn(C)c(CC)c1C[NH+]1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000347194259 428488756 /nfs/dbraw/zinc/48/87/56/428488756.db2.gz GQNRSGBCKIALFP-KRWDZBQOSA-N 2 0 304.482 2.509 20 0 DFADRP COc1cccc(NC(=O)C[C@H](C)[NH2+][C@@H](C)CCCC[NH3+])c1 ZINC000415014215 428491056 /nfs/dbraw/zinc/49/10/56/428491056.db2.gz LPLJILVSDXZUIJ-KBPBESRZSA-N 2 0 307.438 2.519 20 0 DFADRP COc1ccc(Br)cc1C[NH2+][C@H](C)CCC[NH3+] ZINC000415021763 428491350 /nfs/dbraw/zinc/49/13/50/428491350.db2.gz KOERRFFAPHBWLN-SNVBAGLBSA-N 2 0 301.228 2.675 20 0 DFADRP Cc1cc(Cl)cc(C[NH2+]CC(C)(C)N2CC[NH+](C)CC2)c1 ZINC000395176885 428491753 /nfs/dbraw/zinc/49/17/53/428491753.db2.gz PJOHUQJTVKZTPC-UHFFFAOYSA-N 2 0 309.885 2.764 20 0 DFADRP COc1sc(C[NH2+][C@H](C)CCC[NH3+])cc1Br ZINC000415020231 428491788 /nfs/dbraw/zinc/49/17/88/428491788.db2.gz JKBYQERHGFZRLI-MRVPVSSYSA-N 2 0 307.257 2.736 20 0 DFADRP [NH3+]C[C@H]1CC[C@H]([NH2+]Cc2ccc(OCC(F)(F)F)c(F)c2)C1 ZINC000415029591 428492935 /nfs/dbraw/zinc/49/29/35/428492935.db2.gz DYRQPUWXWIYFAK-JQWIXIFHSA-N 2 0 320.330 2.984 20 0 DFADRP C[C@H](CCc1ccc(Cl)s1)[NH2+]C[C@H]1C[NH2+]CCCO1 ZINC000415030436 428493675 /nfs/dbraw/zinc/49/36/75/428493675.db2.gz CKFNMTPUIXVOGC-VXGBXAGGSA-N 2 0 302.871 2.691 20 0 DFADRP CC[N@H+](Cc1ccc(C(=O)N2CC[NH2+]C(C)(C)C2)cc1)C(C)C ZINC000357353050 428495373 /nfs/dbraw/zinc/49/53/73/428495373.db2.gz WBKGLRZGHBEWOY-UHFFFAOYSA-N 2 0 317.477 2.741 20 0 DFADRP [NH3+]C[C@@H]1CC[C@@H]([NH2+]Cc2cccc(OCc3ccccn3)c2)C1 ZINC000415043889 428497521 /nfs/dbraw/zinc/49/75/21/428497521.db2.gz SEPBTUZVNKEDKO-NVXWUHKLSA-N 2 0 311.429 2.878 20 0 DFADRP [NH3+]C[C@@H]1CC[C@H]([NH2+][C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)C1 ZINC000415048719 428500039 /nfs/dbraw/zinc/50/00/39/428500039.db2.gz XGLHXPMNIYRZAB-LCWAXJCOSA-N 3 0 313.489 2.614 20 0 DFADRP Cc1ccc(C)c(C[NH2+]C2CCC([NH+]3CCNCC3)CC2)c1 ZINC000415048957 428500967 /nfs/dbraw/zinc/50/09/67/428500967.db2.gz GVZMNVGDBDXANR-UHFFFAOYSA-N 2 0 301.478 2.609 20 0 DFADRP C[C@@H]1[NH2+]CCC[C@@H]1N[C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000396573876 428501288 /nfs/dbraw/zinc/50/12/88/428501288.db2.gz BOENFCLBRXKJDU-MVBLQPKNSA-N 2 0 313.489 2.627 20 0 DFADRP Cc1ccc(C[NH2+]C2CCC([NH+]3CCNCC3)CC2)c(C)c1 ZINC000415056245 428502840 /nfs/dbraw/zinc/50/28/40/428502840.db2.gz PPXKZEBCSUTXRZ-UHFFFAOYSA-N 2 0 301.478 2.609 20 0 DFADRP C[C@@H]1CN(C2CC[NH+]([C@@H]3CCCC[C@@H]3C)CC2)C[C@@]1(C)C[NH3+] ZINC000415054325 428502929 /nfs/dbraw/zinc/50/29/29/428502929.db2.gz LSYFZCZBMMDCJQ-QFHJOOASSA-N 2 0 307.526 2.946 20 0 DFADRP C[C@@H]1CN([C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)C[C@@]1(C)C[NH3+] ZINC000415057240 428503545 /nfs/dbraw/zinc/50/35/45/428503545.db2.gz PKTLMSKFYZUZEX-HNBVOPMISA-N 2 0 315.505 2.956 20 0 DFADRP C1CC1[C@H]1CCCC[C@@H]1[NH2+]C1CCC([NH+]2CCNCC2)CC1 ZINC000415058100 428505079 /nfs/dbraw/zinc/50/50/79/428505079.db2.gz SJHMCJFJHDTVBO-GMNCBBECSA-N 2 0 305.510 2.761 20 0 DFADRP CCCc1cccc(C[NH2+]C2CCC([NH+]3CCNCC3)CC2)c1 ZINC000415061548 428505636 /nfs/dbraw/zinc/50/56/36/428505636.db2.gz YLGVMKLGAKUPGX-UHFFFAOYSA-N 2 0 315.505 2.945 20 0 DFADRP C[C@@H]1C[C@H](C)[N@H+](CCC(=O)Nc2cccc(Cl)c2)C[C@@H]1C[NH3+] ZINC000397349825 428508883 /nfs/dbraw/zinc/50/88/83/428508883.db2.gz HYYPDHZWVYYPMQ-RDBSUJKOSA-N 2 0 323.868 2.974 20 0 DFADRP C[C@@H]1C[C@@H](N[C@H]2CCCC[NH2+]C2)CC[N@@H+]1Cc1ccccc1 ZINC000415067028 428510549 /nfs/dbraw/zinc/51/05/49/428510549.db2.gz JWOBYIQEBHPFGD-NEWSRXKRSA-N 2 0 301.478 2.771 20 0 DFADRP C[C@@H]1C[C@H]([NH2+]CC2(O)CC[NH+](Cc3ccccc3)CC2)[C@@H]1C ZINC000397493312 428512243 /nfs/dbraw/zinc/51/22/43/428512243.db2.gz NBLYVDNRUPRSQS-NUJGCVRESA-N 2 0 302.462 2.648 20 0 DFADRP OC1(C[NH2+]C[C@@H]2CC=CCC2)CC[NH+](Cc2ccccc2)CC1 ZINC000397492750 428512456 /nfs/dbraw/zinc/51/24/56/428512456.db2.gz BBGRGPIMWMKKLG-GOSISDBHSA-N 2 0 314.473 2.959 20 0 DFADRP CC(C)[C@H]([NH2+][C@H]1CCC[NH2+]CC1)c1ccc2c(c1)OCCO2 ZINC000415079425 428513115 /nfs/dbraw/zinc/51/31/15/428513115.db2.gz KCOZCWLHVDJNMQ-YJBOKZPZSA-N 2 0 304.434 2.887 20 0 DFADRP c1cc(N2CCCCCC2)ncc1C[NH2+][C@H]1CCC[NH2+]CC1 ZINC000415082061 428513361 /nfs/dbraw/zinc/51/33/61/428513361.db2.gz LFMPFXUYKTXSRT-KRWDZBQOSA-N 2 0 302.466 2.694 20 0 DFADRP C[C@H]([NH2+]CCCC[N@@H+]1CCCC[C@@H]1C)C(C)(C)n1cncn1 ZINC000353388411 428515683 /nfs/dbraw/zinc/51/56/83/428515683.db2.gz PTFCLYGLOMMULH-HOTGVXAUSA-N 2 0 307.486 2.646 20 0 DFADRP c1cnn(Cc2cccc(C[NH2+][C@@H]3CCC[C@@H]3[C@H]3CCC[NH2+]3)c2)c1 ZINC000415089863 428516972 /nfs/dbraw/zinc/51/69/72/428516972.db2.gz YHXUIQRGLCJFFC-VAMGGRTRSA-N 2 0 324.472 2.942 20 0 DFADRP C[NH+](C)Cc1cc(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)ccc1F ZINC000415097261 428518353 /nfs/dbraw/zinc/51/83/53/428518353.db2.gz CMDVZFFWBFEGPJ-NZSAHSFTSA-N 3 0 319.468 2.898 20 0 DFADRP [NH3+][C@@H]1CCCO[C@@H]1C1CC[NH+](Cc2cc(F)cc(F)c2)CC1 ZINC000415106537 428521256 /nfs/dbraw/zinc/52/12/56/428521256.db2.gz JQULCDLYQOZZJD-IAGOWNOFSA-N 2 0 310.388 2.683 20 0 DFADRP C[C@H]1CC[C@@H]([NH2+]CC2=CC[N@H+](C)CC2)CN1C(=O)OC(C)(C)C ZINC000399050125 428531903 /nfs/dbraw/zinc/53/19/03/428531903.db2.gz UTIOBKHBNLDFEB-GOEBONIOSA-N 2 0 323.481 2.626 20 0 DFADRP Brc1cccc(C2(CN[C@H]3CCC[NH2+]C3)CC2)c1 ZINC000415111494 428523845 /nfs/dbraw/zinc/52/38/45/428523845.db2.gz QZMPNNCATYQAAA-AWEZNQCLSA-N 2 0 309.251 2.822 20 0 DFADRP COc1ccc(CN(C)CC[NH3+])cc1OCc1ccccc1 ZINC000415114578 428524726 /nfs/dbraw/zinc/52/47/26/428524726.db2.gz VTIUSYJMQVSYMW-UHFFFAOYSA-N 2 0 300.402 2.665 20 0 DFADRP Cc1nn(C)c(C)c1C[C@H](C)[NH2+][C@@H](C)C[C@H]1CCCCC[NH2+]1 ZINC000415113810 428524758 /nfs/dbraw/zinc/52/47/58/428524758.db2.gz SQRVFNXRVMCMFX-GRDNDAEWSA-N 2 0 306.498 2.868 20 0 DFADRP [NH3+][C@H]1CCCO[C@H]1C1CC[NH+](Cc2cc(F)ccc2F)CC1 ZINC000415121429 428525830 /nfs/dbraw/zinc/52/58/30/428525830.db2.gz HGZNIAGXUMAVHK-IRXDYDNUSA-N 2 0 310.388 2.683 20 0 DFADRP C[C@@H]1CCN(Cc2cnn(-c3ccc(Cl)cc3)c2)C[C@H]1C[NH3+] ZINC000415120885 428526756 /nfs/dbraw/zinc/52/67/56/428526756.db2.gz GMBOPBDQTVQJNV-UKRRQHHQSA-N 2 0 318.852 2.942 20 0 DFADRP C[C@H](CC1CCOCC1)C[NH+]1CCC([C@@H]2C[C@H]([NH3+])CCO2)CC1 ZINC000415123059 428528991 /nfs/dbraw/zinc/52/89/91/428528991.db2.gz KRZCXFHTUKZMSI-LZQZEXGQSA-N 2 0 324.509 2.658 20 0 DFADRP CCOc1ccccc1C[NH+]1CCC([C@H]2C[C@@H]([NH3+])CCO2)CC1 ZINC000415122003 428529609 /nfs/dbraw/zinc/52/96/09/428529609.db2.gz JBGCYUSNIRUXAT-PKOBYXMFSA-N 2 0 318.461 2.804 20 0 DFADRP C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CN[C@H]1CCC[NH2+]C1 ZINC000415123646 428530359 /nfs/dbraw/zinc/53/03/59/428530359.db2.gz PYXNMUBHQCEYQD-APWZRJJASA-N 2 0 301.478 2.903 20 0 DFADRP C[C@@H]1C[NH2+]CC[C@H]1NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000390623787 428472283 /nfs/dbraw/zinc/47/22/83/428472283.db2.gz CRXQRPNIGBONIC-MNIJEXPFSA-N 2 0 313.489 2.770 20 0 DFADRP COC[C@]1(C[NH2+][C@@H]2CC[C@H](Cc3ccccc3)C2)CCC[NH2+]1 ZINC000414958213 428472407 /nfs/dbraw/zinc/47/24/07/428472407.db2.gz RCVCGLAZOSYRIT-GUDVDZBRSA-N 2 0 302.462 2.756 20 0 DFADRP [NH3+]C[C@H]1CCC[C@H]1NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000390722034 428473455 /nfs/dbraw/zinc/47/34/55/428473455.db2.gz ZNCRZESJTLLCJC-DZJYIKFMSA-N 2 0 313.489 2.899 20 0 DFADRP C[C@@H]1C[NH2+]CC[C@H]1[NH2+]Cc1c[nH]nc1-c1cccc(Cl)c1 ZINC000414963646 428474277 /nfs/dbraw/zinc/47/42/77/428474277.db2.gz UJSZVIJGPUMDHM-IAQYHMDHSA-N 2 0 304.825 2.818 20 0 DFADRP C[C@H]([NH3+])[C@H](C)NC(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC000414964481 428475621 /nfs/dbraw/zinc/47/56/21/428475621.db2.gz MHAHYYAMDAKVHA-GJZGRUSLSA-N 2 0 318.465 2.572 20 0 DFADRP COC[C@]1(C[NH2+][C@@H]2CCC[C@@H]2Cc2ccccc2)CCC[NH2+]1 ZINC000414964879 428476025 /nfs/dbraw/zinc/47/60/25/428476025.db2.gz YUFYLKXDHRTYDN-GUDVDZBRSA-N 2 0 302.462 2.756 20 0 DFADRP FC(F)(F)CCN1CCC([NH2+]CCC[C@@H]2CCC[NH2+]2)CC1 ZINC000414962323 428476348 /nfs/dbraw/zinc/47/63/48/428476348.db2.gz JOFRSLIJRMEIKB-ZDUSSCGKSA-N 2 0 307.404 2.525 20 0 DFADRP CC[C@@H]([NH2+]CCCN1CCC[C@H]1C(=O)N(C)C)c1cccs1 ZINC000360883626 428476888 /nfs/dbraw/zinc/47/68/88/428476888.db2.gz OKHSECJDOOZSKS-CABCVRRESA-N 2 0 323.506 2.732 20 0 DFADRP COc1ccc(C[C@@H](C)C[NH2+][C@@H]2CC[NH2+]CC2(C)C)cc1F ZINC000414974578 428476898 /nfs/dbraw/zinc/47/68/98/428476898.db2.gz NRZBYBZUIOCPDG-CXAGYDPISA-N 2 0 308.441 2.991 20 0 DFADRP COc1cc2c(c(C[NH2+]CCC[C@H]3CCC[NH2+]3)c1)O[C@H](C)C2 ZINC000414976362 428478021 /nfs/dbraw/zinc/47/80/21/428478021.db2.gz PRCYMJQPRUOOTJ-CJNGLKHVSA-N 2 0 304.434 2.640 20 0 DFADRP COCC1(C[NH2+]Cc2ccc(Cl)cc2F)CC[NH2+]CC1 ZINC000414974066 428478344 /nfs/dbraw/zinc/47/83/44/428478344.db2.gz LSQLNUPXUPECQX-UHFFFAOYSA-N 2 0 300.805 2.585 20 0 DFADRP C[C@@H](CC(=O)Nc1ccc(F)cc1)[NH2+]CCC[C@@H]1CCC[NH2+]1 ZINC000414968436 428478477 /nfs/dbraw/zinc/47/84/77/428478477.db2.gz ICLYVJHPQHZROV-DZGCQCFKSA-N 2 0 307.413 2.665 20 0 DFADRP C[NH2+]C[C@@H]1CCCN(Cc2c(F)cccc2N2CCCC2)C1 ZINC000347166957 428478657 /nfs/dbraw/zinc/47/86/57/428478657.db2.gz LIMGQJUCQJEURU-HNNXBMFYSA-N 2 0 305.441 2.857 20 0 DFADRP COc1ccc(CC[C@@H](C)[NH2+]CCC[C@@H]2CCC[NH2+]2)cc1O ZINC000414971531 428479104 /nfs/dbraw/zinc/47/91/04/428479104.db2.gz WIDHILVVOJTYJO-GDBMZVCRSA-N 2 0 306.450 2.844 20 0 DFADRP CCCOc1ccc(C[N@@H+]2CC[C@@H](C)[C@H](C[NH3+])C2)cc1OC ZINC000415129407 428532615 /nfs/dbraw/zinc/53/26/15/428532615.db2.gz PJMJXERAFRBDFU-GDBMZVCRSA-N 2 0 306.450 2.901 20 0 DFADRP C[N@@H+]1CCCC[C@H]1CCC(=O)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000353431158 428532880 /nfs/dbraw/zinc/53/28/80/428532880.db2.gz LAFIGWROIASYMK-ZWKOTPCHSA-N 2 0 321.509 2.728 20 0 DFADRP CCc1ccc(C[NH+]2CCC([C@H]3OCCC[C@H]3[NH3+])CC2)cc1 ZINC000415139418 428534322 /nfs/dbraw/zinc/53/43/22/428534322.db2.gz ZQJIREZIGSCFBR-RTBURBONSA-N 2 0 302.462 2.967 20 0 DFADRP Clc1csc(C[N@@H+]2CC3(CC[NH2+]CC3)[C@@H]3COC[C@@H]32)c1 ZINC000415138299 428535234 /nfs/dbraw/zinc/53/52/34/428535234.db2.gz KEKWRBQDPRCGEP-KGLIPLIRSA-N 2 0 312.866 2.602 20 0 DFADRP CC[C@H]1CCC[C@H](C[N@@H+]2CC3(CC[NH2+]CC3)[C@@H]3COC[C@@H]32)C1 ZINC000415136390 428535892 /nfs/dbraw/zinc/53/58/92/428535892.db2.gz HIGIRUIPYTXUKO-FJIDUMEYSA-N 2 0 306.494 2.903 20 0 DFADRP CC(C)CN1CCO[C@H](C[NH2+][C@@H]2CCCc3ccc(O)cc32)C1 ZINC000361112948 428537233 /nfs/dbraw/zinc/53/72/33/428537233.db2.gz WMVLLDAVGBSVCE-IEBWSBKVSA-N 2 0 318.461 2.716 20 0 DFADRP C[C@H]([NH2+]CCCC[N@H+]1C[C@H](C)C[C@H](C)C1)c1ccc(=O)[nH]n1 ZINC000353439215 428538013 /nfs/dbraw/zinc/53/80/13/428538013.db2.gz IFWIYRYNNKXWKM-ZNMIVQPWSA-N 2 0 306.454 2.591 20 0 DFADRP CC(C)[C@H](C(=O)NCC[C@@H](C)[N@H+](C)Cc1ccccc1)[C@H](C)[NH3+] ZINC000399696524 428541278 /nfs/dbraw/zinc/54/12/78/428541278.db2.gz ZOWSUWDUBDUISO-RYRKJORJSA-N 2 0 319.493 2.633 20 0 DFADRP c1cncc(CN2CCC[C@@H](C[NH2+]C[C@H]3CCSC3)C2)c1 ZINC000373300320 428541897 /nfs/dbraw/zinc/54/18/97/428541897.db2.gz AVFUEQPAGGQQLV-DLBZAZTESA-N 2 0 305.491 2.636 20 0 DFADRP CCC[NH+]1CCC([NH2+][C@H](C)c2ccccc2-n2ccnn2)CC1 ZINC000353457504 428546072 /nfs/dbraw/zinc/54/60/72/428546072.db2.gz ZLBZWBCUSHBOHZ-OAHLLOKOSA-N 2 0 313.449 2.792 20 0 DFADRP C[N@H+](CCCN[C@@H]1CC[NH+](C)[C@@H]2CCC[C@H]21)Cc1ccccc1 ZINC000353456686 428546693 /nfs/dbraw/zinc/54/66/93/428546693.db2.gz WFTAPSKLBFCPSO-XUVXKRRUSA-N 3 0 315.505 2.971 20 0 DFADRP C[C@H](C[NH2+][C@H](C)[C@@H]1CCCN1C(=O)OC(C)(C)C)C[NH+](C)C ZINC000400449740 428547304 /nfs/dbraw/zinc/54/73/04/428547304.db2.gz QNCQAYULRLBABF-KFWWJZLASA-N 2 0 313.486 2.562 20 0 DFADRP Brc1ccccc1C[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000400979152 428550436 /nfs/dbraw/zinc/55/04/36/428550436.db2.gz HTDCQMVOJHAYEY-MRVWCRGKSA-N 2 0 309.251 2.927 20 0 DFADRP C[C@@H]1C[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)CO1 ZINC000401838024 428559250 /nfs/dbraw/zinc/55/92/50/428559250.db2.gz PLYMDEHWKHAHQP-VAYAGCRFSA-N 2 0 300.446 2.949 20 0 DFADRP Cc1cncc(CC[NH2+][C@@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)n1 ZINC000402708797 428560329 /nfs/dbraw/zinc/56/03/29/428560329.db2.gz RJMJHNKAOUZYTJ-HKUYNNGSSA-N 2 0 324.472 2.828 20 0 DFADRP COc1ccc(C[NH+]2CCC(C[NH2+]C3CC(OC)C3)CC2)cc1 ZINC000347358230 428564418 /nfs/dbraw/zinc/56/44/18/428564418.db2.gz GIPCLVBWJADPHX-UHFFFAOYSA-N 2 0 318.461 2.674 20 0 DFADRP C[C@@H]1CCC[N@H+](CCC(=O)Nc2cccc(F)c2)[C@@H]1CC[NH3+] ZINC000404311289 428565749 /nfs/dbraw/zinc/56/57/49/428565749.db2.gz WPLXBCUCUYVLEB-CZUORRHYSA-N 2 0 307.413 2.604 20 0 DFADRP CCN1C[C@H](C)[C@H]([NH2+]C[C@](C)(Cc2ccccc2)[C@H](C)O)C1 ZINC000357795768 428565874 /nfs/dbraw/zinc/56/58/74/428565874.db2.gz QUOJUCVDDXQCLR-DKKFBQAASA-N 2 0 304.478 2.546 20 0 DFADRP Cc1cc(C)cc(C[N@@H+]2CCN(C3CC[NH+](C)CC3)[C@H](C)C2)c1 ZINC000343737668 428571288 /nfs/dbraw/zinc/57/12/88/428571288.db2.gz RNBGPXHLVXFPRC-GOSISDBHSA-N 2 0 315.505 2.904 20 0 DFADRP COCCNc1ccc(C[NH2+][C@@H]2CC[N@H+](C)[C@@H]3CCC[C@@H]32)cc1 ZINC000353513121 428572428 /nfs/dbraw/zinc/57/24/28/428572428.db2.gz FBEQMRSVUYKSTK-GUDVDZBRSA-N 2 0 317.477 2.707 20 0 DFADRP C[C@H](CN[C@@H]1CC[N@H+](C)[C@H]2CCC[C@H]21)[NH+](C)Cc1ccccc1 ZINC000353518011 428572913 /nfs/dbraw/zinc/57/29/13/428572913.db2.gz KAUQKPVGJZXJIS-MDNKFWRPSA-N 2 0 315.505 2.969 20 0 DFADRP CC(C)CC[C@@H]([NH2+]C[C@H](C)N1CC[NH+](C)CC1)c1ccoc1 ZINC000353512018 428573643 /nfs/dbraw/zinc/57/36/43/428573643.db2.gz CIIGQRYYDGSVAS-FUHWJXTLSA-N 2 0 307.482 2.982 20 0 DFADRP C(C[NH+]1CCCC1)OC1CC[NH+](CC[C@@H]2CCCCO2)CC1 ZINC000347431899 428574497 /nfs/dbraw/zinc/57/44/97/428574497.db2.gz DYFIHMASWLPPCI-KRWDZBQOSA-N 2 0 310.482 2.522 20 0 DFADRP CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)[C@@H]2CC[NH2+][C@H]2C(C)C)C1 ZINC000353526712 428577626 /nfs/dbraw/zinc/57/76/26/428577626.db2.gz RZYLJACTGVPNTB-ZACQAIPSSA-N 2 0 323.525 2.637 20 0 DFADRP CSc1ccccc1C[N@@H+]1CC[C@H](CN2CCOCC2)C1 ZINC000358041011 428578392 /nfs/dbraw/zinc/57/83/92/428578392.db2.gz WTJLWXCPPUXSNI-OAHLLOKOSA-N 2 0 306.475 2.563 20 0 DFADRP CC(=O)N1CC[C@H]([NH2+][C@@H]2C[C@@H](C)[N@@H+](C)C[C@@H]2C)c2ccccc21 ZINC000358352458 428596596 /nfs/dbraw/zinc/59/65/96/428596596.db2.gz JGDZVLGVFVVAFT-IHETXDGRSA-N 2 0 315.461 2.803 20 0 DFADRP CN(C)C(=[NH2+])NC[C@@H]1CCC[N@H+](C)[C@@H]1c1cccc(Cl)c1 ZINC000361802348 428598371 /nfs/dbraw/zinc/59/83/71/428598371.db2.gz BEZBPSXQGIMLEC-DZGCQCFKSA-N 2 0 308.857 2.809 20 0 DFADRP COc1cc2c(cc1OC)[C@H]([NH2+][C@H]1CC[N@@H+]3CCC[C@@H]3C1)CC2 ZINC000373564406 428606314 /nfs/dbraw/zinc/60/63/14/428606314.db2.gz XZFPVLIBLSPEES-ZMSDIMECSA-N 2 0 316.445 2.908 20 0 DFADRP C[NH+](C)CCOCC[NH2+][C@@H](C[C@H]1CCCO1)c1ccc(F)cc1 ZINC000353595355 428614258 /nfs/dbraw/zinc/61/42/58/428614258.db2.gz JQZZRRGWLQWWJQ-MSOLQXFVSA-N 2 0 324.440 2.604 20 0 DFADRP C[NH2+]Cc1ccccc1NC(=O)NC[C@H](C)[N@@H+]1CCCC[C@@H]1C ZINC000415896629 428619246 /nfs/dbraw/zinc/61/92/46/428619246.db2.gz DRGFRAFZMOYBOV-GJZGRUSLSA-N 2 0 318.465 2.790 20 0 DFADRP C[NH2+]Cc1ccccc1NC(=O)NCCCCC[NH+]1CCCC1 ZINC000415906789 428621414 /nfs/dbraw/zinc/62/14/14/428621414.db2.gz YSOXOZHJJXTANA-UHFFFAOYSA-N 2 0 318.465 2.794 20 0 DFADRP CC[NH2+]Cc1ccccc1NC(=O)NCC[N@H+]1CC=C(C)CC1 ZINC000415911270 428624582 /nfs/dbraw/zinc/62/45/82/428624582.db2.gz DLUJRRRDYYDTQO-UHFFFAOYSA-N 2 0 316.449 2.570 20 0 DFADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]C[C@]1(C)OCCc2sccc21 ZINC000353621596 428626160 /nfs/dbraw/zinc/62/61/60/428626160.db2.gz KOAXIXUBSJIGSY-SMKXDYDZSA-N 2 0 308.491 2.854 20 0 DFADRP C[C@H]([NH2+][C@@H]1CCc2nc[nH]c2C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000353623173 428629029 /nfs/dbraw/zinc/62/90/29/428629029.db2.gz ODPVZIIVHPPAAA-CGTJXYLNSA-N 2 0 324.472 2.767 20 0 DFADRP CC[NH2+]Cc1ccccc1NC(=O)NC[C@@H](C)[NH+](CC)CC ZINC000415929240 428629656 /nfs/dbraw/zinc/62/96/56/428629656.db2.gz HJAJMBZDUKNFNN-CQSZACIVSA-N 2 0 306.454 2.648 20 0 DFADRP CCC[N@@H+]1CCC[C@H]1CNC(=O)Nc1ccccc1C[NH2+]CC ZINC000415936948 428630610 /nfs/dbraw/zinc/63/06/10/428630610.db2.gz XRDOIGYIESAHEP-INIZCTEOSA-N 2 0 318.465 2.792 20 0 DFADRP CSC1(C[NH2+][C@H](C)c2ccc3c(c2)OCO3)CC[NH+](C)CC1 ZINC000353630583 428631057 /nfs/dbraw/zinc/63/10/57/428631057.db2.gz MQZPGNJTINKYDO-CYBMUJFWSA-N 2 0 322.474 2.893 20 0 DFADRP C[NH2+]Cc1cccc(NC(=O)NC2CC[NH+](CC(C)C)CC2)c1 ZINC000415933507 428631812 /nfs/dbraw/zinc/63/18/12/428631812.db2.gz PRLAREWPUSPYFQ-UHFFFAOYSA-N 2 0 318.465 2.648 20 0 DFADRP C[C@H]1C[C@H](C)C[NH+](CCCCNC(=O)CC2CC[NH+](C)CC2)C1 ZINC000347521247 428595463 /nfs/dbraw/zinc/59/54/63/428595463.db2.gz LGTBGLYIHVEYLQ-IRXDYDNUSA-N 2 0 323.525 2.593 20 0 DFADRP C[NH2+]Cc1ccc(NC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)cc1 ZINC000415972150 428637884 /nfs/dbraw/zinc/63/78/84/428637884.db2.gz LYOJXJOEZKFJFO-ALOPSCKCSA-N 2 0 316.449 2.543 20 0 DFADRP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)Nc1ccc(C[NH3+])cc1 ZINC000415972674 428640345 /nfs/dbraw/zinc/64/03/45/428640345.db2.gz ILZWFQVBTFGGKH-MRXNPFEDSA-N 2 0 304.438 2.531 20 0 DFADRP CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)Nc1ccc(C[NH3+])cc1 ZINC000415981531 428640474 /nfs/dbraw/zinc/64/04/74/428640474.db2.gz VWHOVMFGJJLBIW-QGZVFWFLSA-N 2 0 318.465 2.921 20 0 DFADRP CCc1cccc(F)c1C[NH+]1CCC(OCC[NH+](C)C)CC1 ZINC000353652726 428641066 /nfs/dbraw/zinc/64/10/66/428641066.db2.gz FZYBIJBJUXRZTH-UHFFFAOYSA-N 2 0 308.441 2.931 20 0 DFADRP CC[C@@]1(C(=O)NCC(C)(C)[NH2+][C@@H](C)c2ccccc2)CC[NH2+]C1 ZINC000362158194 428642790 /nfs/dbraw/zinc/64/27/90/428642790.db2.gz CXAUARVAYOHDKA-HNAYVOBHSA-N 2 0 317.477 2.622 20 0 DFADRP COc1cc2c(cc1F)[nH+]ccc2N1CC[NH+](C2CC2)CC1 ZINC000280785502 274101774 /nfs/dbraw/zinc/10/17/74/274101774.db2.gz UASZRXXNXMLJSQ-UHFFFAOYSA-N 2 0 301.365 2.667 20 0 DFADRP COc1ccc2c(c1)C[C@H]([NH2+]C[C@H]1CC[N@@H+](C3CC3)C1)CC2 ZINC000162594011 274127633 /nfs/dbraw/zinc/12/76/33/274127633.db2.gz GKRKXYHUKKAFKC-RHSMWYFYSA-N 2 0 300.446 2.626 20 0 DFADRP CC(C)OC(=O)C[C@H]1CCC[N@H+](CC[C@H]2CCCC[NH+]2C)C1 ZINC000362194713 428656784 /nfs/dbraw/zinc/65/67/84/428656784.db2.gz KBAJWKWKMDVAOD-IAGOWNOFSA-N 2 0 310.482 2.915 20 0 DFADRP CC[NH2+]Cc1cccc(NC(=O)[C@H](C[NH3+])c2ccc(F)cc2)c1 ZINC000358743645 428653135 /nfs/dbraw/zinc/65/31/35/428653135.db2.gz LXTNLIICYWBXCW-QGZVFWFLSA-N 2 0 315.392 2.616 20 0 DFADRP COC(C)(C)CC[N@H+]1C[C@@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000348302565 428700287 /nfs/dbraw/zinc/70/02/87/428700287.db2.gz APWMHSPLVWBGDK-HDICACEKSA-N 2 0 302.462 2.865 20 0 DFADRP CC[NH+](CC)CCCNC(=O)[C@@H](c1ccccc1)[N@H+](C)CC ZINC000358843224 428702386 /nfs/dbraw/zinc/70/23/86/428702386.db2.gz YSGZDLHZGYQJLB-QGZVFWFLSA-N 2 0 305.466 2.528 20 0 DFADRP CSC1(C[NH+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@@H]3C2)CC1 ZINC000348362740 428719230 /nfs/dbraw/zinc/71/92/30/428719230.db2.gz ZHTDUBCIWKSCGJ-IAGOWNOFSA-N 2 0 302.487 2.946 20 0 DFADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]C[C@H](CO)c1ccccc1Cl ZINC000348383607 428724766 /nfs/dbraw/zinc/72/47/66/428724766.db2.gz DPDBMTQPTKYBLP-VMUDFCTBSA-N 2 0 310.869 2.734 20 0 DFADRP CCCC[N@H+](C)CCNC(=O)C[C@@H](c1ccccc1)[NH+](C)C ZINC000416159128 428678295 /nfs/dbraw/zinc/67/82/95/428678295.db2.gz MHURHIDSLWGOTD-KRWDZBQOSA-N 2 0 305.466 2.528 20 0 DFADRP C[C@H](C[N@@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@H]21)c1ccccc1 ZINC000374420423 428679133 /nfs/dbraw/zinc/67/91/33/428679133.db2.gz LIKWEUJURPMMCN-NXWXRZEISA-N 2 0 302.462 2.974 20 0 DFADRP CC(C)[NH+]1CCC(O)(C[NH2+]Cc2cc3cc(F)ccc3o2)CC1 ZINC000344641845 428685905 /nfs/dbraw/zinc/68/59/05/428685905.db2.gz OVXIRXYCHLQDNB-UHFFFAOYSA-N 2 0 320.408 2.897 20 0 DFADRP C[C@@H]1C[C@H]([NH2+]Cc2c[nH]nc2-c2ccc(F)cc2)CC[N@@H+]1C ZINC000344636688 428686543 /nfs/dbraw/zinc/68/65/43/428686543.db2.gz VKRRWTHBCBXSEN-MLGOLLRUSA-N 2 0 302.397 2.788 20 0 DFADRP CCC[N@H+](CC(=O)NC)Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000411189112 428756739 /nfs/dbraw/zinc/75/67/39/428756739.db2.gz SNOYTDIDQNDSIO-UHFFFAOYSA-N 2 0 317.477 2.631 20 0 DFADRP Cc1cc(NC[C@]2([NH+](C)C)CCSC2)c2ccccc2[nH+]1 ZINC000358991682 428762807 /nfs/dbraw/zinc/76/28/07/428762807.db2.gz VDFDXBZQBKGBFI-QGZVFWFLSA-N 2 0 301.459 2.814 20 0 DFADRP C[C@H](CC[NH+]1CCO[C@H](C)[C@H]1C)CC[N@@H+]1CCO[C@H](C)[C@@H]1C ZINC000411322422 428780824 /nfs/dbraw/zinc/78/08/24/428780824.db2.gz INSWEJFGVGYVOK-UYTYNIKBSA-N 2 0 312.498 2.621 20 0 DFADRP CCC[C@@H]([NH2+]C(C)C)C(=O)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000353937879 428784393 /nfs/dbraw/zinc/78/43/93/428784393.db2.gz FOZIYXKYWWQPED-IAGOWNOFSA-N 2 0 309.498 2.630 20 0 DFADRP C[C@H](CC[NH+]1C[C@@H](C)OC[C@@H]1C)CC[N@@H+]1C[C@H](C)OC[C@@H]1C ZINC000411145826 428746281 /nfs/dbraw/zinc/74/62/81/428746281.db2.gz MGWQDQBCPPKQLN-KFGODFMUSA-N 2 0 312.498 2.621 20 0 DFADRP C[C@@H]1C[N@H+](CCSC(C)(C)C)CCN1C1CC[NH+](C)CC1 ZINC000374775212 428749880 /nfs/dbraw/zinc/74/98/80/428749880.db2.gz JJPYPZDAHQFUEZ-OAHLLOKOSA-N 2 0 313.555 2.618 20 0 DFADRP CC[NH+](CC)CCO[C@@H]1CC[N@H+](Cc2sc(C)nc2C)C1 ZINC000354078469 428850374 /nfs/dbraw/zinc/85/03/74/428850374.db2.gz SBXVPZWNHCXCFV-OAHLLOKOSA-N 2 0 311.495 2.693 20 0 DFADRP CC[NH+](CC)[C@@H](C(=O)NCC[NH+]1CCCCC1)c1ccccc1 ZINC000354077226 428851125 /nfs/dbraw/zinc/85/11/25/428851125.db2.gz CDWWFPCMKSCIFN-GOSISDBHSA-N 2 0 317.477 2.672 20 0 DFADRP C[C@H]([NH2+]C[C@H]1CCOC[C@@H]1C)c1cccc(OCC[NH+](C)C)c1 ZINC000353978312 428801617 /nfs/dbraw/zinc/80/16/17/428801617.db2.gz KEDDITWQOUTXCZ-XYJFISCASA-N 2 0 320.477 2.950 20 0 DFADRP CNC(=O)[C@@H]([NH2+]Cc1cccc(C[NH+]2CCCCC2)c1)C(C)C ZINC000411468051 428803609 /nfs/dbraw/zinc/80/36/09/428803609.db2.gz FDBXWLNTWXUZMU-SFHVURJKSA-N 2 0 317.477 2.533 20 0 DFADRP C[NH+]1CCC(N2CCC([NH2+]C3CCC4(CC4)CC3)CC2)CC1 ZINC000362922696 428810182 /nfs/dbraw/zinc/81/01/82/428810182.db2.gz OGOUTBPORJXSKV-UHFFFAOYSA-N 2 0 305.510 2.857 20 0 DFADRP C[C@H]([NH2+][C@H]1CCCCC[C@H]1O)c1cccc(OCC[NH+](C)C)c1 ZINC000348691346 428813355 /nfs/dbraw/zinc/81/33/55/428813355.db2.gz CFPHXZFUGRCQLR-ZYSHUDEJSA-N 2 0 320.477 2.971 20 0 DFADRP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1[NH2+]Cc1ccnc(N)c1 ZINC000411546426 428816431 /nfs/dbraw/zinc/81/64/31/428816431.db2.gz ZVCQCKPCZPMIHY-HZPDHXFCSA-N 2 0 324.472 2.910 20 0 DFADRP Cc1ccsc1C[N@@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000354025399 428828086 /nfs/dbraw/zinc/82/80/86/428828086.db2.gz CYQYTDLPOZCZBW-CVEARBPZSA-N 2 0 307.507 2.514 20 0 DFADRP COC(=O)c1cccc(C[NH+]2CCC(C[NH+](C)C)CC2)c1Cl ZINC000362973276 428829742 /nfs/dbraw/zinc/82/97/42/428829742.db2.gz SPGVQMOQRGELDI-UHFFFAOYSA-N 2 0 324.852 2.900 20 0 DFADRP CC[C@@H]([NH2+]C[C@H]1CCCN1CC(C)C)C1(C(=O)OC)CCC1 ZINC000354029545 428831266 /nfs/dbraw/zinc/83/12/66/428831266.db2.gz TYFLIQRIKGMWAF-HZPDHXFCSA-N 2 0 310.482 2.818 20 0 DFADRP CC1CCC(C[N@@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@H](C)C2)CC1 ZINC000354037638 428832647 /nfs/dbraw/zinc/83/26/47/428832647.db2.gz JEOBDCTVNYEFPL-JWHDQAAXSA-N 2 0 307.526 2.771 20 0 DFADRP C[C@H]1[C@H](CO)CC[N@@H+]1Cc1cccc(C[NH+]2CCCCC2)c1 ZINC000411655145 428834357 /nfs/dbraw/zinc/83/43/57/428834357.db2.gz IRJNUZVFKSSLAE-LPHOPBHVSA-N 2 0 302.462 2.875 20 0 DFADRP CCc1ccc(CN(CC[NH+](C)C)C[C@@H]2CCC[N@H+]2CC)o1 ZINC000349063550 428911863 /nfs/dbraw/zinc/91/18/63/428911863.db2.gz QFEPPNUWWJABHP-INIZCTEOSA-N 2 0 307.482 2.690 20 0 DFADRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@@H](c1ccc(F)cn1)C(C)C ZINC000354085614 428856143 /nfs/dbraw/zinc/85/61/43/428856143.db2.gz JTJXCXXPOWXDES-NVXWUHKLSA-N 2 0 311.445 2.864 20 0 DFADRP CC(CC[NH+]1C[C@@H]2C[C@H]1CS2)CC[N@@H+]1C[C@@H]2C[C@H]1CS2 ZINC000411814578 428863623 /nfs/dbraw/zinc/86/36/23/428863623.db2.gz CUGJJPHFDVUMDY-VGWMRTNUSA-N 2 0 312.548 2.782 20 0 DFADRP CC[N@H+](CCC1CC[NH2+]CC1)[C@H]1CCN(c2ccccc2)C1=O ZINC000359212699 428866655 /nfs/dbraw/zinc/86/66/55/428866655.db2.gz DZUHXNWSQVRSBL-SFHVURJKSA-N 2 0 315.461 2.504 20 0 DFADRP C[C@H]1C[N@H+](CCC2CC[NH2+]CC2)C[C@H](c2ccc(F)cc2)O1 ZINC000359229806 428878434 /nfs/dbraw/zinc/87/84/34/428878434.db2.gz ZLBSROOEQIBEPZ-KBXCAEBGSA-N 2 0 306.425 2.977 20 0 DFADRP COC1(C[NH2+]C2CC[NH+](C3CCC(C)CC3)CC2)CCOCC1 ZINC000375442007 428886539 /nfs/dbraw/zinc/88/65/39/428886539.db2.gz YKVRPQAHFCYMDT-UHFFFAOYSA-N 2 0 324.509 2.815 20 0 DFADRP Cn1nccc1CC[NH2+]C[C@H]1CCC[N@H+](C)[C@@H]1c1ccccc1 ZINC000375495650 428899683 /nfs/dbraw/zinc/89/96/83/428899683.db2.gz OQHNNOSBEFNYTA-IEBWSBKVSA-N 2 0 312.461 2.635 20 0 DFADRP CCC[C@@H](C)[C@H](CC)[NH2+][C@@H]1CCC(=O)N[C@H]1c1cncn1C ZINC000375520574 428905556 /nfs/dbraw/zinc/90/55/56/428905556.db2.gz UHTKXEFSSYGCOE-UMPJEAMMSA-N 2 0 306.454 2.544 20 0 DFADRP CC(=O)CC[N@@H+]1CC[C@@]2(C1)CCCN(Cc1ccccc1)C2 ZINC000363324090 428905588 /nfs/dbraw/zinc/90/55/88/428905588.db2.gz JKTREJLNEUHUMR-LJQANCHMSA-N 2 0 300.446 2.954 20 0 DFADRP CCN(CCC[NH+](C)C)Cc1cnn(-c2ccc(F)cc2)c1 ZINC000349362445 428971065 /nfs/dbraw/zinc/97/10/65/428971065.db2.gz CTEHWCKVIJYOHN-UHFFFAOYSA-N 2 0 304.413 2.785 20 0 DFADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)Cc1ccc(Cl)o1 ZINC000349077894 428914248 /nfs/dbraw/zinc/91/42/48/428914248.db2.gz QPBXBXFGIJSGIG-CQSZACIVSA-N 2 0 313.873 2.781 20 0 DFADRP CC[N@H+](CCCN1CC[NH+](C(C)C)CC1)Cc1occc1C ZINC000412028402 428914640 /nfs/dbraw/zinc/91/46/40/428914640.db2.gz RZNQRDAVLFQZFF-UHFFFAOYSA-N 2 0 307.482 2.826 20 0 DFADRP CC(C)OC[C@@H](C)[NH2+]C[C@@H]1CCCN(Cc2cccnc2)C1 ZINC000375590871 428917977 /nfs/dbraw/zinc/91/79/77/428917977.db2.gz JXCJGGWHYSKNNH-AEFFLSMTSA-N 2 0 305.466 2.697 20 0 DFADRP CCN(CC)C(=[NH2+])NCC1CC[NH+](CCc2ccccc2)CC1 ZINC000363483760 428925392 /nfs/dbraw/zinc/92/53/92/428925392.db2.gz LBVBJFXPNFMXBA-UHFFFAOYSA-N 2 0 316.493 2.807 20 0 DFADRP Cc1ccc(C[NH+]2CCC(C[NH2+]CC3(C)COC3)CC2)cc1 ZINC000375680473 428939615 /nfs/dbraw/zinc/93/96/15/428939615.db2.gz QKPXKLHJYWSROV-UHFFFAOYSA-N 2 0 302.462 2.833 20 0 DFADRP c1ccc(C[N@@H+]2CCC3(C2)CC[NH+]([C@@H]2CCOC2)CC3)cc1 ZINC000375674162 428940938 /nfs/dbraw/zinc/94/09/38/428940938.db2.gz SEVFXFFBWUWXKU-GOSISDBHSA-N 2 0 300.446 2.763 20 0 DFADRP Cc1cc([C@H]([NH2+]C[C@@H](C)N2CC[NH+](C)CC2)C2CC2)ccc1F ZINC000359375165 428944280 /nfs/dbraw/zinc/94/42/80/428944280.db2.gz RYJBGJYYPAVYCN-DNVCBOLYSA-N 2 0 319.468 2.811 20 0 DFADRP Cc1nn(C)c(C)c1CN1C[C@@H]2C[N@H+](C)[C@@H](c3ccccc3)[C@H]2C1 ZINC000363572902 428944485 /nfs/dbraw/zinc/94/44/85/428944485.db2.gz KXXUILVPPDCKJD-IHPCNDPISA-N 2 0 324.472 2.772 20 0 DFADRP CC1CC[NH+](C[C@H](O)CN[C@@H](c2ccc(F)cc2)C2CC2)CC1 ZINC000359379137 428946226 /nfs/dbraw/zinc/94/62/26/428946226.db2.gz DFBBTGSTFSNENB-RTBURBONSA-N 2 0 320.452 2.959 20 0 DFADRP CCn1cc(CCN2CCC[C@H](C[NH+]3CCC(C)CC3)C2)cn1 ZINC000375698765 428946488 /nfs/dbraw/zinc/94/64/88/428946488.db2.gz SQLAJAZYOJRIMW-IBGZPJMESA-N 2 0 318.509 2.889 20 0 DFADRP C[N@@H+]1CCCC[C@H]1CCC(=O)N[C@H]1CC[NH+](CC2CCCC2)C1 ZINC000354273318 428949410 /nfs/dbraw/zinc/94/94/10/428949410.db2.gz KZVWYBXFWNHOQI-ROUUACIJSA-N 2 0 321.509 2.632 20 0 DFADRP C[N@@H+]1CCCC[C@@H]1CCC(=O)N[C@@H]1CC[NH+](CC2CCCC2)C1 ZINC000354273316 428949574 /nfs/dbraw/zinc/94/95/74/428949574.db2.gz KZVWYBXFWNHOQI-QZTJIDSGSA-N 2 0 321.509 2.632 20 0 DFADRP C[C@@H]1C[NH+](CCC2CC[NH+](CCCCF)CC2)C[C@@H](C)O1 ZINC000375715081 428950776 /nfs/dbraw/zinc/95/07/76/428950776.db2.gz AOWIUBVPIIBYNI-HZPDHXFCSA-N 2 0 300.462 2.947 20 0 DFADRP C[C@@H]1C[N@H+](CCC[NH+]2CCCCC2)C[C@H]1C(=O)OC(C)(C)C ZINC000412093844 428953754 /nfs/dbraw/zinc/95/37/54/428953754.db2.gz PAXCEXMDMQIAAO-HZPDHXFCSA-N 2 0 310.482 2.772 20 0 DFADRP CC[C@H]([NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1)c1ccc(C(=O)OC)cc1 ZINC000423541059 428967959 /nfs/dbraw/zinc/96/79/59/428967959.db2.gz FAVNYXYXAJBEND-TVFCKZIOSA-N 2 0 316.445 2.902 20 0 DFADRP COC(=O)c1csc([C@H](C)[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000423541448 428967966 /nfs/dbraw/zinc/96/79/66/428967966.db2.gz FITAFGBAYQAJQT-KZVDOYCCSA-N 2 0 308.447 2.573 20 0 DFADRP COc1ccc2c(c1)[C@H]([NH2+][C@@H]1CC[C@@H]3C[NH2+]C[C@@H]3C1)CCCO2 ZINC000423544154 428969137 /nfs/dbraw/zinc/96/91/37/428969137.db2.gz ODNHMBYVUNOHTD-BASYENTBSA-N 2 0 316.445 2.887 20 0 DFADRP C[C@@H](C[NH2+][C@H]1CCC(=O)Nc2ccc(F)cc21)C[NH+]1CCCC1 ZINC000363688579 428969371 /nfs/dbraw/zinc/96/93/71/428969371.db2.gz MUAAYDSEAAFAPL-BBRMVZONSA-N 2 0 319.424 2.921 20 0 DFADRP [NH3+]CC1(CC(=O)Nc2cccc3c2C[NH2+]CC3)CCCCC1 ZINC000375936746 429021427 /nfs/dbraw/zinc/02/14/27/429021427.db2.gz ZWPUJRSYQQVYGT-UHFFFAOYSA-N 2 0 301.434 2.570 20 0 DFADRP CCC[C@H]([NH2+]C(C)C)C(=O)NC[C@H]1CCCC[N@@H+]1CC(C)C ZINC000355113229 429030651 /nfs/dbraw/zinc/03/06/51/429030651.db2.gz FISVDOLCEUGDEL-SJORKVTESA-N 2 0 311.514 2.780 20 0 DFADRP c1ccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@H](N[C@H]2CCCC[NH2+]C2)C3)cc1 ZINC000423556139 428972739 /nfs/dbraw/zinc/97/27/39/428972739.db2.gz MMZHBQPDIQMRMM-LWYYNNOASA-N 3 0 313.489 2.914 20 0 DFADRP CC(C)[C@@H]1C[C@H]([NH2+]CCC[N@@H+]2CCCO[C@H](C)C2)CS1 ZINC000433025214 428979354 /nfs/dbraw/zinc/97/93/54/428979354.db2.gz IXJIQIYCNQHHCQ-PMPSAXMXSA-N 2 0 300.512 2.607 20 0 DFADRP C[N@@H+]1CC[C@H]([NH2+]CCCCNc2ccccn2)[C@H]2CCC[C@@H]21 ZINC000375801274 428980153 /nfs/dbraw/zinc/98/01/53/428980153.db2.gz IPGCTDXWYHCGTI-IKGGRYGDSA-N 2 0 302.466 2.736 20 0 DFADRP CC[N@@H+]1CC[C@H]([NH2+]CC2(CO)CC(c3ccccc3)C2)[C@@H](C)C1 ZINC000433079740 428990493 /nfs/dbraw/zinc/99/04/93/428990493.db2.gz YGJSJGODVKTGAY-VHBXLISGSA-N 2 0 316.489 2.863 20 0 DFADRP C[NH+]1CCC(CC[NH2+][C@@H](c2ccccc2)c2cncnc2)CC1 ZINC000349453486 428990533 /nfs/dbraw/zinc/99/05/33/428990533.db2.gz OJUFEYGRLBBDHD-IBGZPJMESA-N 2 0 310.445 2.888 20 0 DFADRP [NH3+][C@H](CC1CCCCC1)C(=O)Nc1ccc2c(c1F)CC[NH2+]C2 ZINC000423657429 428991058 /nfs/dbraw/zinc/99/10/58/428991058.db2.gz WAAWMPPQEUBICC-OAHLLOKOSA-N 2 0 319.424 2.708 20 0 DFADRP CC[C@H](C(=O)NC[C@@H]1CCC[C@@H]([NH3+])C1)[N@H+](C)Cc1ccccc1 ZINC000423673714 428992079 /nfs/dbraw/zinc/99/20/79/428992079.db2.gz AFZBMKXEGICFSL-KZNAEPCWSA-N 2 0 317.477 2.531 20 0 DFADRP CCOC(=O)C1(C)CCC([NH2+][C@@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC000354513308 428994605 /nfs/dbraw/zinc/99/46/05/428994605.db2.gz PNYXLKREVNTQDE-NDUQDZPOSA-N 2 0 310.482 2.961 20 0 DFADRP CN(CCC1CCCCC1)C(=O)CCC[NH+]1CCC([NH3+])CC1 ZINC000433127917 428998858 /nfs/dbraw/zinc/99/88/58/428998858.db2.gz JYPDTFCCXSXPML-UHFFFAOYSA-N 2 0 309.498 2.619 20 0 DFADRP C[C@H](NC(=O)CCC[NH+]1CCC([NH3+])CC1)c1ccc(Cl)cc1 ZINC000433145947 429001389 /nfs/dbraw/zinc/00/13/89/429001389.db2.gz SIAQFZWCXZYVMU-ZDUSSCGKSA-N 2 0 323.868 2.721 20 0 DFADRP Cc1c(Cl)cccc1NC(=O)CCC[NH+]1CCC([NH3+])CC1 ZINC000433146787 429002211 /nfs/dbraw/zinc/00/22/11/429002211.db2.gz MIJVCSHSLSXZIT-UHFFFAOYSA-N 2 0 309.841 2.790 20 0 DFADRP C[NH+](C)Cc1ccc(CNC(=O)[C@@H]([NH3+])CC2CCCCC2)cc1 ZINC000423717685 429002860 /nfs/dbraw/zinc/00/28/60/429002860.db2.gz AOOJZQICRYLSKC-SFHVURJKSA-N 2 0 317.477 2.662 20 0 DFADRP C[N@@H+]1CC[C@H]([NH2+]CCc2cnn(-c3ccccc3)c2)[C@@H]2CCC[C@H]21 ZINC000375888801 429007664 /nfs/dbraw/zinc/00/76/64/429007664.db2.gz MWDTWYXUTHOONR-SLFFLAALSA-N 2 0 324.472 2.877 20 0 DFADRP CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)[C@H](C(C)C)[C@@H](C)[NH3+] ZINC000423749575 429009512 /nfs/dbraw/zinc/00/95/12/429009512.db2.gz WGGALAITJKWZDK-CRAIPNDOSA-N 2 0 319.493 2.716 20 0 DFADRP C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)[C@@H](C)[C@H]([NH3+])c1ccccc1 ZINC000423761365 429011276 /nfs/dbraw/zinc/01/12/76/429011276.db2.gz OLUPTXUQRQLIKL-DAYGRLMNSA-N 2 0 317.477 2.511 20 0 DFADRP CN(CC[N@H+](C)C1CCCCC1)C(=O)C[C@@H]1CCCC[C@@H]1[NH3+] ZINC000423760926 429012002 /nfs/dbraw/zinc/01/20/02/429012002.db2.gz OCGWOXCZHIETDQ-RDJZCZTQSA-N 2 0 309.498 2.617 20 0 DFADRP CN(CC[N@H+](C)C1CCCCC1)C(=O)C[C@H]1CCCC[C@@H]1[NH3+] ZINC000423760929 429012193 /nfs/dbraw/zinc/01/21/93/429012193.db2.gz OCGWOXCZHIETDQ-WBVHZDCISA-N 2 0 309.498 2.617 20 0 DFADRP CN(CC[N@H+](C)C1CCCCC1)C(=O)C[C@H]1CCCC[C@H]1[NH3+] ZINC000423760924 429012343 /nfs/dbraw/zinc/01/23/43/429012343.db2.gz OCGWOXCZHIETDQ-NVXWUHKLSA-N 2 0 309.498 2.617 20 0 DFADRP C[C@@H](CCC[NH3+])[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000423444051 429089137 /nfs/dbraw/zinc/08/91/37/429089137.db2.gz AUMIQRYOOMUIGY-DSLXNQLJSA-N 3 0 301.478 2.899 20 0 DFADRP COCCOc1ccc([C@H](C)[NH2+]C[C@H]2CCC[C@@H]([NH3+])C2)cc1 ZINC000423462362 429090498 /nfs/dbraw/zinc/09/04/98/429090498.db2.gz OYZWXUNTFFPCOA-YQQAZPJKSA-N 2 0 306.450 2.880 20 0 DFADRP C[C@H]1C[C@H](NC[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)CC[N@@H+]1C ZINC000423470621 429091707 /nfs/dbraw/zinc/09/17/07/429091707.db2.gz LNGPUGDFEOTHCG-IAAVTCLWSA-N 2 0 319.468 2.591 20 0 DFADRP Cc1ncsc1CN(C)C[C@H]1CC[N@H+](CC[C@@H]2CCCO2)C1 ZINC000434494908 429093231 /nfs/dbraw/zinc/09/32/31/429093231.db2.gz QLVNQJRCWZZSGP-CVEARBPZSA-N 2 0 323.506 2.774 20 0 DFADRP C[C@H]([NH2+]C[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1)[C@@H]1CCCOC1 ZINC000423474423 429093776 /nfs/dbraw/zinc/09/37/76/429093776.db2.gz OUKGMIJKIPXXHD-LKCYJCQHSA-N 2 0 320.452 2.924 20 0 DFADRP CC(C)[NH+]1CCC(NC(=O)C[N@@H+]2CC[C@@H](CC(C)(C)C)C2)CC1 ZINC000452081157 429051306 /nfs/dbraw/zinc/05/13/06/429051306.db2.gz PWCXFMDHAOCLJJ-INIZCTEOSA-N 2 0 323.525 2.734 20 0 DFADRP CC(C)[C@@H]([NH3+])C[NH2+][C@H]1CCc2cc(Br)ccc2C1 ZINC000423284118 429057484 /nfs/dbraw/zinc/05/74/84/429057484.db2.gz XTHNUNHCDILJBT-GJZGRUSLSA-N 2 0 311.267 2.879 20 0 DFADRP C[C@H](C[NH3+])C[NH2+][C@@H](C)c1ccc(I)cc1 ZINC000423303378 429059475 /nfs/dbraw/zinc/05/94/75/429059475.db2.gz WYVZRXWAIWSNEZ-ZJUUUORDSA-N 2 0 318.202 2.537 20 0 DFADRP CCCC[C@H](C[NH3+])N[C@@H](c1ccc(OC)cc1)[C@H]1CCC[NH2+]1 ZINC000423303769 429060077 /nfs/dbraw/zinc/06/00/77/429060077.db2.gz XLQZADLRAKGVKO-NXHRZFHOSA-N 2 0 305.466 2.595 20 0 DFADRP CCc1ccc([C@H](CNC(=O)[C@@H](C(C)C)[C@H](C)[NH3+])[NH+](C)C)cc1 ZINC000423310832 429060958 /nfs/dbraw/zinc/06/09/58/429060958.db2.gz SIIAXYGSFZUCHM-WBAXXEDZSA-N 2 0 319.493 2.587 20 0 DFADRP C[C@@H]([NH3+])c1ccc(C(=O)NCc2ccccc2C[NH+](C)C)cc1 ZINC000423310557 429061232 /nfs/dbraw/zinc/06/12/32/429061232.db2.gz NVVYQJLPGRHVLR-CQSZACIVSA-N 2 0 311.429 2.698 20 0 DFADRP C[C@H](C[NH3+])CN[C@@H]1CC[N@H+](Cc2ccccc2)[C@H]2CCC[C@@H]21 ZINC000423310606 429061293 /nfs/dbraw/zinc/06/12/93/429061293.db2.gz SBVHDTIWHZXPRN-OWYHZJEWSA-N 3 0 301.478 2.614 20 0 DFADRP C[C@@H]([NH2+]C[C@@]1(C)CCC[NH2+]C1)c1ccc2c(c1)OCCCO2 ZINC000423320514 429061731 /nfs/dbraw/zinc/06/17/31/429061731.db2.gz FJIZFAZIIPDAIP-KDOFPFPSSA-N 2 0 304.434 2.888 20 0 DFADRP [NH3+][C@H](CN[C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21)C1CC1 ZINC000423322143 429062376 /nfs/dbraw/zinc/06/23/76/429062376.db2.gz NQPHQMURZRHOHP-UAFMIMERSA-N 2 0 313.489 2.614 20 0 DFADRP C[C@H]([NH3+])c1ccc(C(=O)NC[C@@H](c2ccsc2)[NH+](C)C)cc1 ZINC000423321578 429062665 /nfs/dbraw/zinc/06/26/65/429062665.db2.gz GMPJUVUHHHABDA-LRDDRELGSA-N 2 0 317.458 2.801 20 0 DFADRP COCCOc1ccc([C@H](C)[NH2+]C[C@]2(C)CCC[NH2+]C2)cc1 ZINC000423322368 429063924 /nfs/dbraw/zinc/06/39/24/429063924.db2.gz GZNWYNQSDBLSGF-MAUKXSAKSA-N 2 0 306.450 2.752 20 0 DFADRP C[C@@H]([NH2+]CC1=CC[NH2+]CC1)c1ncc(Br)cc1F ZINC000423331150 429064663 /nfs/dbraw/zinc/06/46/63/429064663.db2.gz CKVHCXMCMNCMCL-SECBINFHSA-N 2 0 314.202 2.554 20 0 DFADRP C[C@H]([NH2+]C[C@H]1CC[NH2+]C1)c1ccc(OCC(F)(F)F)cc1 ZINC000423331555 429065999 /nfs/dbraw/zinc/06/59/99/429065999.db2.gz GSKUNOWIJOVZBO-RYUDHWBXSA-N 2 0 302.340 2.888 20 0 DFADRP C[C@H]1CC[NH2+][C@@H](C(=O)Nc2cccc(C[NH+]3CCCCC3)c2)C1 ZINC000423340926 429067433 /nfs/dbraw/zinc/06/74/33/429067433.db2.gz WAORXOQJAAIQDP-MAUKXSAKSA-N 2 0 315.461 2.999 20 0 DFADRP C[C@@H]1CCC[N@H+](Cc2ccc(NC(=O)[C@]34C[C@H]3CC[NH2+]4)cc2)C1 ZINC000423336100 429068030 /nfs/dbraw/zinc/06/80/30/429068030.db2.gz QIAPZWLRCZUVBG-OGWOLHLISA-N 2 0 313.445 2.609 20 0 DFADRP C[C@@H](Cc1ccc(F)cc1Br)[NH2+]C[C@@H]1CC[NH2+]C1 ZINC000423345966 429069450 /nfs/dbraw/zinc/06/94/50/429069450.db2.gz PHAZWQZSUBVJMT-WDEREUQCSA-N 2 0 315.230 2.718 20 0 DFADRP COc1ccc([C@H](C)[NH2+]CCCC[NH3+])c(Br)c1 ZINC000423342620 429069826 /nfs/dbraw/zinc/06/98/26/429069826.db2.gz ZBYZKBUEEOJISJ-JTQLQIEISA-N 2 0 301.228 2.847 20 0 DFADRP C[NH+](C)CC1CCN(C(=O)C(C)(C)[C@H]([NH3+])c2ccccc2)CC1 ZINC000423344314 429070022 /nfs/dbraw/zinc/07/00/22/429070022.db2.gz XPJOTECUDPDUGX-QGZVFWFLSA-N 2 0 317.477 2.513 20 0 DFADRP C[C@@H]([NH3+])c1ccc(C(=O)N2CCC[C@H]2C[NH+]2CCCCC2)cc1 ZINC000423344014 429070296 /nfs/dbraw/zinc/07/02/96/429070296.db2.gz DXVZPAMGXMULTM-QAPCUYQASA-N 2 0 315.461 2.797 20 0 DFADRP COc1ccc([C@H](C)[C@@H](C)[NH2+]CC2=CC[NH2+]CC2)cc1OC ZINC000423352342 429071965 /nfs/dbraw/zinc/07/19/65/429071965.db2.gz KGNOUHVNLNOXCW-ZIAGYGMSSA-N 2 0 304.434 2.705 20 0 DFADRP Clc1ccccc1C[C@H]([NH2+]CC1=CC[NH2+]CC1)[C@H]1CCCO1 ZINC000423360712 429072819 /nfs/dbraw/zinc/07/28/19/429072819.db2.gz WJEBQJZGMPQKSG-ZWKOTPCHSA-N 2 0 320.864 2.939 20 0 DFADRP c1ccc([C@H]2C[C@H]([NH2+]Cc3ccc4c(c3)C[NH2+]C4)CCN2)cc1 ZINC000423372918 429073748 /nfs/dbraw/zinc/07/37/48/429073748.db2.gz HKGRECBOAMUTBV-WOJBJXKFSA-N 2 0 307.441 2.873 20 0 DFADRP C[C@@H]1C[C@H](N[C@H]2CCC[N@H+](Cc3ccccc3)[C@@H]2C)CC[NH2+]1 ZINC000423368958 429074346 /nfs/dbraw/zinc/07/43/46/429074346.db2.gz BMAJFUGODONSEC-RWQQGDIJSA-N 2 0 301.478 2.770 20 0 DFADRP C[C@H]([NH3+])c1ccc(C(=O)N[C@@H](C)C[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000423365773 429075559 /nfs/dbraw/zinc/07/55/59/429075559.db2.gz PSGASNYWUBHJFV-ILXRZTDVSA-N 2 0 303.450 2.557 20 0 DFADRP CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)C(C)(C)[C@H]([NH3+])c1ccccc1 ZINC000423383173 429076311 /nfs/dbraw/zinc/07/63/11/429076311.db2.gz GXPXLNBIJXPRQF-IAGOWNOFSA-N 2 0 317.477 2.655 20 0 DFADRP C[C@@H]([NH3+])c1ccc(C(=O)N[C@@H](C)C[N@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000423374612 429076400 /nfs/dbraw/zinc/07/64/00/429076400.db2.gz XGGABPGXCAJCOD-XUWVNRHRSA-N 2 0 317.477 2.803 20 0 DFADRP C[C@@H]1C[NH2+]CC[C@H]1[NH2+][C@H]1CCc2cccc(Br)c2C1 ZINC000423382136 429076474 /nfs/dbraw/zinc/07/64/74/429076474.db2.gz DGHKTKYIETUFPB-PVXIVEMSSA-N 2 0 323.278 2.894 20 0 DFADRP CC[N@@H+]1CCC[C@H]1CN(C)C(=O)C(C)(C)[C@H]([NH3+])c1ccccc1 ZINC000423383172 429076856 /nfs/dbraw/zinc/07/68/56/429076856.db2.gz GXPXLNBIJXPRQF-DLBZAZTESA-N 2 0 317.477 2.655 20 0 DFADRP C[C@H]1C[C@@H]([NH2+]C2CCN(c3ccc(F)cc3F)CC2)CC[NH2+]1 ZINC000423380808 429076890 /nfs/dbraw/zinc/07/68/90/429076890.db2.gz OCHLIODLSFJKKL-WFASDCNBSA-N 2 0 309.404 2.664 20 0 DFADRP CC[N@H+](CCNC(=O)C(C)(C)[C@@H]([NH3+])c1ccccc1)C(C)C ZINC000423383783 429076951 /nfs/dbraw/zinc/07/69/51/429076951.db2.gz FFNBOWHXCKJVIB-INIZCTEOSA-N 2 0 305.466 2.559 20 0 DFADRP [NH3+][C@H](CC1CCCCC1)C(=O)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000423379320 429077114 /nfs/dbraw/zinc/07/71/14/429077114.db2.gz XDDDUQAMXLOADM-GOSISDBHSA-N 2 0 321.509 2.761 20 0 DFADRP C[C@@H]1C[NH2+]CC[C@@H]1[NH2+][C@H]1CCc2cccc(Br)c2C1 ZINC000423382132 429077138 /nfs/dbraw/zinc/07/71/38/429077138.db2.gz DGHKTKYIETUFPB-FFSVYQOJSA-N 2 0 323.278 2.894 20 0 DFADRP C[C@H]1C[C@H]([NH2+]C2CCN(c3ccc(F)cc3F)CC2)CC[NH2+]1 ZINC000423380807 429077259 /nfs/dbraw/zinc/07/72/59/429077259.db2.gz OCHLIODLSFJKKL-SWLSCSKDSA-N 2 0 309.404 2.664 20 0 DFADRP COCC1(C[NH2+][C@@H](C)c2ccc(OC)cc2F)CC[NH2+]CC1 ZINC000423380510 429077332 /nfs/dbraw/zinc/07/73/32/429077332.db2.gz DTFLJVZZQLLTIB-ZDUSSCGKSA-N 2 0 310.413 2.501 20 0 DFADRP CC(C)[C@@H]([NH2+][C@H]1CC[NH2+][C@H](C)C1)c1ccc2[nH]c(=O)oc2c1 ZINC000423386812 429079413 /nfs/dbraw/zinc/07/94/13/429079413.db2.gz RSBKNDLQDDWSQZ-PVXIVEMSSA-N 2 0 303.406 2.961 20 0 DFADRP C[C@@H]1C[NH2+]CC[C@@H]1[NH2+][C@@H]1CCCN(Cc2ccccc2)[C@H]1C ZINC000423396343 429079957 /nfs/dbraw/zinc/07/99/57/429079957.db2.gz NRUWEMCKVNPNCH-KCITZHQASA-N 2 0 301.478 2.627 20 0 DFADRP C[C@@H]1CN(Cc2ccccc2)C[C@H]1[NH2+]Cc1ccc2c(c1)C[NH2+]C2 ZINC000423397455 429080001 /nfs/dbraw/zinc/08/00/01/429080001.db2.gz SWLHKFYYCHKMRS-IIBYNOLFSA-N 2 0 321.468 2.900 20 0 DFADRP C[C@H]([NH2+][C@H]1CCC[C@H]([NH3+])C1)c1cccc(N2CCCC2=O)c1 ZINC000423397463 429080300 /nfs/dbraw/zinc/08/03/00/429080300.db2.gz SXHXEBNFHGSGPO-BPUTZDHNSA-N 2 0 301.434 2.734 20 0 DFADRP CC(C)(C)CC(=O)NCC1([NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000424038956 429081279 /nfs/dbraw/zinc/08/12/79/429081279.db2.gz MOGWVEKNVFEACS-UHFFFAOYSA-N 2 0 317.477 2.532 20 0 DFADRP C[C@@H](C[NH3+])N[C@@H]1CCCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000423400987 429082215 /nfs/dbraw/zinc/08/22/15/429082215.db2.gz QPVIQIMSMBVGLR-DSLXNQLJSA-N 2 0 301.478 2.614 20 0 DFADRP CC(C)[C@H](N[C@@H]1CCC[NH2+][C@H]1C)c1ccc2[nH]c(=O)oc2c1 ZINC000423402965 429082255 /nfs/dbraw/zinc/08/22/55/429082255.db2.gz XWVFSDFXQUDNHW-GHJWDPDVSA-N 2 0 303.406 2.961 20 0 DFADRP COCC1(C[NH2+][C@H](C)C2CCC(F)(F)CC2)CC[NH2+]CC1 ZINC000423408059 429082393 /nfs/dbraw/zinc/08/23/93/429082393.db2.gz NZXFOAZXFRBSAA-CYBMUJFWSA-N 2 0 304.425 2.806 20 0 DFADRP CC[N@H+](Cc1ccc(C(=O)NC(C)(C)CC[NH3+])cc1)C(C)C ZINC000424049169 429082863 /nfs/dbraw/zinc/08/28/63/429082863.db2.gz TULHQHDXMIEBFJ-UHFFFAOYSA-N 2 0 305.466 2.774 20 0 DFADRP COC[C@]1(C[NH2+][C@@H](Cc2ccccc2OC)C(C)C)CCC[NH2+]1 ZINC000423409009 429083094 /nfs/dbraw/zinc/08/30/94/429083094.db2.gz BFTBTNQQUCXIEK-PKOBYXMFSA-N 2 0 320.477 2.621 20 0 DFADRP COCC1(C[NH2+][C@H]2CCc3cc(Cl)ccc32)CC[NH2+]CC1 ZINC000423411630 429083334 /nfs/dbraw/zinc/08/33/34/429083334.db2.gz UZBVIUMTHUXVRS-INIZCTEOSA-N 2 0 308.853 2.933 20 0 DFADRP CCC[NH+](CCC)CCCC(=O)N1C[C@H](C[NH3+])[C@H](C)C[C@H]1C ZINC000424053802 429083886 /nfs/dbraw/zinc/08/38/86/429083886.db2.gz ACTSQUBSJXZLBP-ZACQAIPSSA-N 2 0 311.514 2.720 20 0 DFADRP C[NH+](C)[C@@H]1CCC[C@H](NC(=O)C(C)(C)[C@H]([NH3+])c2ccccc2)C1 ZINC000423410921 429083959 /nfs/dbraw/zinc/08/39/59/429083959.db2.gz DVYKARLIGZAJPP-GVDBMIGSSA-N 2 0 317.477 2.702 20 0 DFADRP C[C@H]([NH2+]C[C@H]1C[NH2+]C[C@@H]1O)c1ccc(C2CCCCC2)cc1 ZINC000423413095 429083976 /nfs/dbraw/zinc/08/39/76/429083976.db2.gz YBMIEAZRHDCKSB-KYNGSXCRSA-N 2 0 302.462 2.965 20 0 DFADRP CCC[NH+](CCC)CCCC(=O)N1C[C@H](C[NH3+])[C@H](C)C[C@@H]1C ZINC000424053800 429084009 /nfs/dbraw/zinc/08/40/09/429084009.db2.gz ACTSQUBSJXZLBP-IKGGRYGDSA-N 2 0 311.514 2.720 20 0 DFADRP C[C@@H]([NH3+])c1ccc(C(=O)N2CC[N@H+](C)CC23CCCCC3)cc1 ZINC000423424424 429085135 /nfs/dbraw/zinc/08/51/35/429085135.db2.gz FNYRDNXFIXHAOR-OAHLLOKOSA-N 2 0 315.461 2.797 20 0 DFADRP CC[N@@H+]1CC[C@H](N(C)C(=O)c2ccc([C@@H](C)[NH3+])cc2)C[C@@H]1C ZINC000423422327 429085200 /nfs/dbraw/zinc/08/52/00/429085200.db2.gz KXRPTQPHGXKIIT-VBQJREDUSA-N 2 0 303.450 2.651 20 0 DFADRP O=C(NC[C@@H]1CCCC[N@@H+]1C1CC1)[C@H]1CCC[NH+]1C1CCCC1 ZINC000434448994 429088051 /nfs/dbraw/zinc/08/80/51/429088051.db2.gz UKDBQSMVCRBRLI-ZWKOTPCHSA-N 2 0 319.493 2.527 20 0 DFADRP CCC[N@H+](CC)C[C@@H](C)NC(=O)Nc1cc(C)cc(C[NH3+])c1 ZINC000424430071 429143250 /nfs/dbraw/zinc/14/32/50/429143250.db2.gz YYSMWJQNHMPQTO-CQSZACIVSA-N 2 0 306.454 2.696 20 0 DFADRP C[C@H]1C[N@H+](CCCn2ccnc2)CC[C@@H]1NC(=O)OC(C)(C)C ZINC000494713032 429146438 /nfs/dbraw/zinc/14/64/38/429146438.db2.gz UNNUKYAJHMZROX-GJZGRUSLSA-N 2 0 322.453 2.508 20 0 DFADRP CN(Cc1ccn(-c2ccc(F)cc2)n1)[C@H]1CCC[NH2+]CC1 ZINC000435614337 429153252 /nfs/dbraw/zinc/15/32/52/429153252.db2.gz MHULBKXLNUREDJ-INIZCTEOSA-N 2 0 302.397 2.585 20 0 DFADRP CN(C[C@H]1CCC[N@H+](C)C1)C(=O)CC[C@H]([NH3+])CC1CCCCC1 ZINC000424140710 429098639 /nfs/dbraw/zinc/09/86/39/429098639.db2.gz WOOCOIGAWYIBFM-ROUUACIJSA-N 2 0 323.525 2.865 20 0 DFADRP CC(C)[C@H]([NH2+][C@H]1CC[C@H](C[NH3+])C1)c1ccc2[nH]c(=O)oc2c1 ZINC000423493048 429098652 /nfs/dbraw/zinc/09/86/52/429098652.db2.gz PJDDODVRCNKZBW-RBOXIYTFSA-N 2 0 303.406 2.948 20 0 DFADRP Clc1ccc([C@@H]2CC[C@H]([NH2+]C[C@@H]3C[NH2+]CCCO3)C2)cc1 ZINC000423494983 429099136 /nfs/dbraw/zinc/09/91/36/429099136.db2.gz TULJFMICBMHIKL-PVAVHDDUSA-N 2 0 308.853 2.944 20 0 DFADRP C[NH+](C)C1CCN(C(=O)CC[C@@H]([NH3+])CC2CCCCC2)CC1 ZINC000424139104 429099278 /nfs/dbraw/zinc/09/92/78/429099278.db2.gz DDSBBJUTJLTBCQ-MRXNPFEDSA-N 2 0 309.498 2.617 20 0 DFADRP C[C@@H]1C[C@@H](N[C@@H](C[NH3+])C2CCCC2)C[N@@H+]1Cc1ccccc1 ZINC000423497083 429099370 /nfs/dbraw/zinc/09/93/70/429099370.db2.gz FYXQYIUIFQDRQE-LZQZEXGQSA-N 2 0 301.478 2.757 20 0 DFADRP [NH3+]C[C@@H]1CC[C@H]([NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC000423493858 429099979 /nfs/dbraw/zinc/09/99/79/429099979.db2.gz CGQGNQZLJCDPNL-IVDHNXQLSA-N 3 0 313.489 2.899 20 0 DFADRP CC[N@@H+]1CCC[C@H](NC(=O)CC[C@@H]([NH3+])CC2CCCCC2)C1 ZINC000424156196 429100966 /nfs/dbraw/zinc/10/09/66/429100966.db2.gz NZJPULVYHDPODL-SJORKVTESA-N 2 0 309.498 2.665 20 0 DFADRP C[C@@H](C[C@@H]1CCCCC[NH2+]1)N[C@@H]1C[NH2+]C[C@H]1c1ccccc1 ZINC000423498960 429102250 /nfs/dbraw/zinc/10/22/50/429102250.db2.gz BOPNPKRYZBITSC-DSLXNQLJSA-N 2 0 301.478 2.642 20 0 DFADRP Cc1ccc([C@@H](C)[NH2+]C2CCC([NH+]3CCNCC3)CC2)s1 ZINC000423507589 429103905 /nfs/dbraw/zinc/10/39/05/429103905.db2.gz JQIMLTOPQYWYLX-QQFBHYJXSA-N 2 0 307.507 2.924 20 0 DFADRP CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@@H]2CC[C@H](C[NH3+])C2)c2ccccc21 ZINC000423511370 429103997 /nfs/dbraw/zinc/10/39/97/429103997.db2.gz QCVVUVFIPUKCCS-JFTQMJAMSA-N 2 0 316.445 2.885 20 0 DFADRP C[C@@H]1CN([C@@H]2CCC[N@H+](Cc3ccccc3)[C@H]2C)C[C@@]1(C)C[NH3+] ZINC000423507378 429104087 /nfs/dbraw/zinc/10/40/87/429104087.db2.gz JSXLSWSVAQWXIT-PIKOESSRSA-N 2 0 315.505 2.956 20 0 DFADRP C[C@H](c1cccc(OCC[NH+](C)C)c1)[N@@H+]1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000423511443 429104242 /nfs/dbraw/zinc/10/42/42/429104242.db2.gz OYCMGIZLUUBVSL-GPMSIDNRSA-N 3 0 319.493 2.605 20 0 DFADRP C[C@@H]1CN([C@H]2CCC[N@H+](Cc3ccccc3)[C@H]2C)C[C@@]1(C)C[NH3+] ZINC000423507376 429104390 /nfs/dbraw/zinc/10/43/90/429104390.db2.gz JSXLSWSVAQWXIT-LCLWPZTBSA-N 2 0 315.505 2.956 20 0 DFADRP C[C@@H]1C[C@@H]([NH2+]CC2(N)CC[NH+](Cc3ccccc3)CC2)[C@@H]1C ZINC000423517664 429105448 /nfs/dbraw/zinc/10/54/48/429105448.db2.gz BSPIGDJFTIWSCP-JFIYKMOQSA-N 2 0 301.478 2.614 20 0 DFADRP C[C@@H](c1ccc(OCC[NH+](C)C)cc1)[N@@H+]1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000423514217 429106197 /nfs/dbraw/zinc/10/61/97/429106197.db2.gz SNLQUVIZOOCTLM-JTDSTZFVSA-N 3 0 319.493 2.605 20 0 DFADRP C[C@H]([NH2+][C@@H]1CC[C@H](C[NH3+])C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000423523197 429108428 /nfs/dbraw/zinc/10/84/28/429108428.db2.gz YMTVWSUPJXZDRC-GDAAHCPNSA-N 3 0 301.478 2.614 20 0 DFADRP CCO[C@H]1C[C@@H]([NH2+]CC2([NH3+])C3CC4CC(C3)CC2C4)C1(C)C ZINC000423531593 429110124 /nfs/dbraw/zinc/11/01/24/429110124.db2.gz SXAXCJLZKKJJQS-WDSZJTOSSA-N 2 0 306.494 2.933 20 0 DFADRP Cc1cc(C)cc(NC(=O)C[N@H+]2CC3(C[C@@H]2C)CC[NH2+]CC3)c1 ZINC000424282766 429119473 /nfs/dbraw/zinc/11/94/73/429119473.db2.gz AIFBBAMPHCDMLK-INIZCTEOSA-N 2 0 315.461 2.706 20 0 DFADRP CC(=O)Nc1cccc(C[N@H+]2CC3(C[C@H]2C)CC[NH2+]CC3)c1 ZINC000424287016 429119504 /nfs/dbraw/zinc/11/95/04/429119504.db2.gz IBSHEWRPBOFMQN-CQSZACIVSA-N 2 0 301.434 2.609 20 0 DFADRP C[C@H]1CC2(C[N@@H+]1Cc1ccc(-n3cccn3)cc1)CC[NH2+]CC2 ZINC000424287529 429120159 /nfs/dbraw/zinc/12/01/59/429120159.db2.gz IXURALVQKRJFFZ-INIZCTEOSA-N 2 0 310.445 2.836 20 0 DFADRP c1cc(CCC[NH+]2CCC(n3ncc4c3C[NH2+]C4)CC2)cs1 ZINC000424297489 429121807 /nfs/dbraw/zinc/12/18/07/429121807.db2.gz STZZOQNKJBCMIA-UHFFFAOYSA-N 2 0 316.474 2.818 20 0 DFADRP CO[C@H]1C[C@H]2C[C@@H]([NH2+]CCCC[N@H+]3C[C@@H](C)O[C@@H](C)C3)C[C@H]2C1 ZINC000424306488 429122507 /nfs/dbraw/zinc/12/25/07/429122507.db2.gz VMYRFYYPFAMZOF-BAMLVTLESA-N 2 0 324.509 2.669 20 0 DFADRP Cc1nccn1C[C@H]1CCC[N@@H+]1C[C@@H](C[NH3+])c1ccc(F)cc1 ZINC000424308140 429124532 /nfs/dbraw/zinc/12/45/32/429124532.db2.gz ZFVUDNOVGZIJID-SJLPKXTDSA-N 2 0 316.424 2.538 20 0 DFADRP CC(C)C[C@H](C[NH2+][C@H]1CC[N@H+](C)C[C@H]1C)C(=O)OC(C)(C)C ZINC000424332847 429127594 /nfs/dbraw/zinc/12/75/94/429127594.db2.gz VPKNQXMLQXBMRJ-OAGGEKHMSA-N 2 0 312.498 2.920 20 0 DFADRP C[C@@H]1CC2(C[N@@H+]1Cc1cccc3c1OCCCO3)CC[NH2+]CC2 ZINC000424385089 429133118 /nfs/dbraw/zinc/13/31/18/429133118.db2.gz VVOXKNDKGOETEA-OAHLLOKOSA-N 2 0 316.445 2.812 20 0 DFADRP C[C@H]([NH3+])[C@@H]1CC[N@H+](Cc2ccccc2OCc2cccnc2)C1 ZINC000435374379 429133858 /nfs/dbraw/zinc/13/38/58/429133858.db2.gz IMOYDYRQEAZEEU-DOTOQJQBSA-N 2 0 311.429 2.830 20 0 DFADRP C[C@@H]1C[C@H](C[NH3+])C[N@@H+]1Cc1ccc(OCc2cccnc2)cc1 ZINC000435376561 429137115 /nfs/dbraw/zinc/13/71/15/429137115.db2.gz RQKKVSFMKWVPAM-CRAIPNDOSA-N 2 0 311.429 2.830 20 0 DFADRP CC(C)[C@@H](C(=O)NC1CC([NH+]2CCCCC2)C1)[NH+]1CCCCC1 ZINC000376564184 429139139 /nfs/dbraw/zinc/13/91/39/429139139.db2.gz ANXZOBNMNCVXOO-ABHNRTSZSA-N 2 0 321.509 2.630 20 0 DFADRP Cc1cc(C[NH3+])cc(NC(=O)NCC[C@@H](C)[NH+]2CCCCC2)c1 ZINC000424423848 429139879 /nfs/dbraw/zinc/13/98/79/429139879.db2.gz GURRWLIZCSDXDF-OAHLLOKOSA-N 2 0 318.465 2.840 20 0 DFADRP CC(C)(C)c1nn(-c2ccccc2)cc1C[N@@H+]1CC[C@@H](C[NH3+])C1 ZINC000435393101 429140154 /nfs/dbraw/zinc/14/01/54/429140154.db2.gz YXRFHYYXFRCTPK-HNNXBMFYSA-N 2 0 312.461 2.950 20 0 DFADRP Cc1cc(C[NH3+])cc(NC(=O)NC[C@H]2[N@H+](C)CCCC2(C)C)c1 ZINC000424423036 429140830 /nfs/dbraw/zinc/14/08/30/429140830.db2.gz FPEOHSWOVMCJNI-MRXNPFEDSA-N 2 0 318.465 2.696 20 0 DFADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@@H](C)[C@H](c1ccccc1)[NH+](C)C ZINC000487195440 429140920 /nfs/dbraw/zinc/14/09/20/429140920.db2.gz CYSJYPVAGXJRNG-CGTJXYLNSA-N 2 0 317.477 2.668 20 0 DFADRP O=C(CC[C@H]1CCC[NH2+]1)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000494680621 429141937 /nfs/dbraw/zinc/14/19/37/429141937.db2.gz IOWCXNRYRCHOIJ-ZWKOTPCHSA-N 2 0 321.509 2.633 20 0 DFADRP c1csc(C[N@@H+](CC2CCOCC2)[C@@H]2CC23CC[NH2+]CC3)n1 ZINC000435437368 429142437 /nfs/dbraw/zinc/14/24/37/429142437.db2.gz JLGXLSCZLQHKLE-OAHLLOKOSA-N 2 0 321.490 2.514 20 0 DFADRP C[C@H]([NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccc(C(=O)N(C)C)cc1 ZINC000494888655 429161594 /nfs/dbraw/zinc/16/15/94/429161594.db2.gz IKOVSDLSCBZWNK-WBAXXEDZSA-N 2 0 315.461 2.666 20 0 DFADRP CC(C)[N@H+](C)Cc1ccccc1C[NH2+][C@H]1CCC(=O)NC1(C)C ZINC000494885035 429161983 /nfs/dbraw/zinc/16/19/83/429161983.db2.gz DDGBSZBJUVPVTR-KRWDZBQOSA-N 2 0 317.477 2.674 20 0 DFADRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@H]1C[C@]1(C)c1cccs1 ZINC000364055691 429164507 /nfs/dbraw/zinc/16/45/07/429164507.db2.gz JKSNESRBXFLJEX-CPUCHLNUSA-N 2 0 320.506 2.624 20 0 DFADRP C[C@@H]1C[C@H]([NH2+]Cc2ccc(CN3CC[NH+](C)CC3)cc2)[C@H]1C ZINC000494927287 429165370 /nfs/dbraw/zinc/16/53/70/429165370.db2.gz ZUMFJPZYCBXBFL-GJYPPUQNSA-N 2 0 301.478 2.568 20 0 DFADRP c1ccc(COC2CC([NH2+][C@H]3CC[N@@H+]4CCC[C@@H]4C3)C2)cc1 ZINC000364072067 429165929 /nfs/dbraw/zinc/16/59/29/429165929.db2.gz HLIMMXILCCEICH-BKVYNOPKSA-N 2 0 300.446 2.951 20 0 DFADRP CC(C)OC(=O)CC[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000364343606 429187679 /nfs/dbraw/zinc/18/76/79/429187679.db2.gz OZRKNKABDRZJNH-AEFFLSMTSA-N 2 0 318.461 2.828 20 0 DFADRP C(C1CCC2(CC1)OCCO2)[NH+]1CCC([NH2+]C2CCCC2)CC1 ZINC000365180145 275389320 /nfs/dbraw/zinc/38/93/20/275389320.db2.gz SSUSQYBJNRSLKY-UHFFFAOYSA-N 2 0 322.493 2.916 20 0 DFADRP CC[N@@H+]1CC[C@H]([NH2+]C2CC(O)(Cc3cccc(F)c3)C2)[C@@H](C)C1 ZINC000364482659 429212168 /nfs/dbraw/zinc/21/21/68/429212168.db2.gz JHLDAPCFUJEMBI-JOFJAFTHSA-N 2 0 320.452 2.582 20 0 DFADRP C[C@H](C(=O)N1CC[NH+](C2CCCCC2)CC1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000488774019 429199526 /nfs/dbraw/zinc/19/95/26/429199526.db2.gz XIKDQABELYDNOV-IXDOHACOSA-N 2 0 321.509 2.725 20 0 DFADRP C[C@H]1C[C@@H](C[NH3+])C[N@@H+]1CCOc1ccc(OC(F)(F)F)cc1 ZINC000442769162 429235325 /nfs/dbraw/zinc/23/53/25/429235325.db2.gz MYJUBQXQMJLUFP-RYUDHWBXSA-N 2 0 318.339 2.633 20 0 DFADRP CC(C)(C)OC(=O)CCCC[N@@H+]1C[C@@H]2C[NH+]3CCCC[C@@H]3[C@H]2C1 ZINC000364653345 429242783 /nfs/dbraw/zinc/24/27/83/429242783.db2.gz DWQSAPNQJUUPNB-IXDOHACOSA-N 2 0 322.493 2.915 20 0 DFADRP CCCNC(=O)OC[C@@H]1CCCC[N@@H+]1CCCn1ccnc1C ZINC000495709046 429250847 /nfs/dbraw/zinc/25/08/47/429250847.db2.gz YGJIUMMUGWLOJK-INIZCTEOSA-N 2 0 322.453 2.572 20 0 DFADRP C[C@@H](C(=O)NC(C)(C)CCC[NH+](C)C)[N@H+](C)Cc1ccccc1 ZINC000456161663 429251492 /nfs/dbraw/zinc/25/14/92/429251492.db2.gz DKDJPGLJRFHAOP-INIZCTEOSA-N 2 0 319.493 2.744 20 0 DFADRP CCN(CC)CC[N@H+](C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000364994120 429271382 /nfs/dbraw/zinc/27/13/82/429271382.db2.gz KQRKBPYHFZZHIS-UHFFFAOYSA-N 2 0 304.482 2.572 20 0 DFADRP CC[NH+]1CCN([C@H](C)C[NH2+]C2CCC(CSC)CC2)CC1 ZINC000449078266 429324590 /nfs/dbraw/zinc/32/45/90/429324590.db2.gz LMSIVUXJINOWBM-KLAILNCOSA-N 2 0 313.555 2.524 20 0 DFADRP C[NH+]1CCN(c2cc(C[NH2+][C@@H]3CCCC34CCC4)ccn2)CC1 ZINC000449083789 429326927 /nfs/dbraw/zinc/32/69/27/429326927.db2.gz VJANFMPYGFZKKB-QGZVFWFLSA-N 2 0 314.477 2.646 20 0 DFADRP CC[C@H]([NH2+]Cc1ccnc(N2CC[NH+](C)CC2)c1)C1CCCC1 ZINC000449081357 429327076 /nfs/dbraw/zinc/32/70/76/429327076.db2.gz DPWRZHHHFOMWJH-SFHVURJKSA-N 2 0 316.493 2.892 20 0 DFADRP C[C@@H](Cn1cncn1)[NH2+]C1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC000449098938 429330827 /nfs/dbraw/zinc/33/08/27/429330827.db2.gz LHKSRQPBQNSZIT-HNNXBMFYSA-N 2 0 321.513 2.935 20 0 DFADRP CCC[NH2+][C@@H](C)C(=O)NC[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000449106751 429332840 /nfs/dbraw/zinc/33/28/40/429332840.db2.gz JKFIUEQAMOGMSD-FUHWJXTLSA-N 2 0 317.477 2.545 20 0 DFADRP C[C@@H]1C[N@@H+](CCCC[NH2+][C@@H]2CCOC3(CCC3)C2)C[C@H](C)O1 ZINC000449104130 429333431 /nfs/dbraw/zinc/33/34/31/429333431.db2.gz UHZXTJWAPGRMPH-IXDOHACOSA-N 2 0 310.482 2.567 20 0 DFADRP CC(C)C[C@H](C[N@@H+]1CC[C@@H](N2CC[NH2+]CC2)C1)c1ccccc1 ZINC000504438644 429336276 /nfs/dbraw/zinc/33/62/76/429336276.db2.gz NGIJFWYANWGQJS-WOJBJXKFSA-N 2 0 315.505 2.796 20 0 DFADRP C[C@H](Cc1coc2ccccc12)[NH2+]CC1CC[NH+](CCO)CC1 ZINC000449119801 429336450 /nfs/dbraw/zinc/33/64/50/429336450.db2.gz AZVPKBJIYLKQNI-OAHLLOKOSA-N 2 0 316.445 2.658 20 0 DFADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+]Cc2cccc3ccoc32)CC1 ZINC000449132363 429340377 /nfs/dbraw/zinc/34/03/77/429340377.db2.gz UHGFDYJZVAFAQF-INIZCTEOSA-N 2 0 315.461 2.796 20 0 DFADRP CC(C)(C)c1ncc(C[NH2+]C[C@@H]2CCn3ccnc3C2)s1 ZINC000365562244 429342221 /nfs/dbraw/zinc/34/22/21/429342221.db2.gz ZYTUPNUPQBSATO-GFCCVEGCSA-N 2 0 304.463 2.989 20 0 DFADRP CSCC1CCC([NH2+]CCCC[N@@H+]2CCC[C@H]2CO)CC1 ZINC000449146804 429343475 /nfs/dbraw/zinc/34/34/75/429343475.db2.gz DONHLXLFHIOJOE-JCYILVPMSA-N 2 0 314.539 2.735 20 0 DFADRP CCC[C@@H]([NH2+]C(C)C)C(=O)NCC[N@H+]1CC=C(C(C)(C)C)CC1 ZINC000505890102 429343692 /nfs/dbraw/zinc/34/36/92/429343692.db2.gz NKPPOEPIXHNZJA-QGZVFWFLSA-N 2 0 323.525 2.948 20 0 DFADRP CO[C@H](C[N@@H+]1CC[C@H](n2c(C)nc3c2CCCC3)C1)C1CC1 ZINC000425432740 429295402 /nfs/dbraw/zinc/29/54/02/429295402.db2.gz JFBSHVGRMZUEGP-MAUKXSAKSA-N 2 0 303.450 2.742 20 0 DFADRP C[C@@H]([NH2+]C1CC[NH+]([C@@H](C)Cc2ccccc2)CC1)[C@H](C)CO ZINC000449165491 429346999 /nfs/dbraw/zinc/34/69/99/429346999.db2.gz WLBNVGRQZSCUIJ-IXDOHACOSA-N 2 0 304.478 2.689 20 0 DFADRP CCN(CC)c1ncc(CN2CCC[C@H]([NH+](C)C)CC2)s1 ZINC000365422043 429316583 /nfs/dbraw/zinc/31/65/83/429316583.db2.gz KPXCMYFGRGGBGD-AWEZNQCLSA-N 2 0 310.511 2.905 20 0 DFADRP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+]C[C@H](CO)C2CC2)CC1 ZINC000449338959 429391818 /nfs/dbraw/zinc/39/18/18/429391818.db2.gz TUDQHNJLTFNLQL-VQIMIIECSA-N 2 0 316.489 2.690 20 0 DFADRP CC(C)OCC[NH+]1CCC(CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000365884046 429396779 /nfs/dbraw/zinc/39/67/79/429396779.db2.gz HPGSVANUMRGXLR-CALCHBBNSA-N 2 0 312.498 2.623 20 0 DFADRP CCC[N@H+](C)C[C@@H]1CCN(C(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC000426688335 429408491 /nfs/dbraw/zinc/40/84/91/429408491.db2.gz PRHGYFRSIRPLIS-KRWDZBQOSA-N 2 0 323.525 2.689 20 0 DFADRP C[C@@H]1C[C@H]([NH2+]Cc2cn(C)nc2-c2ccc(F)cc2)CC[N@@H+]1C ZINC000449170906 429348212 /nfs/dbraw/zinc/34/82/12/429348212.db2.gz JIKSZHDESGZZLN-CXAGYDPISA-N 2 0 316.424 2.799 20 0 DFADRP C[C@H]1CC(CC[NH2+]Cc2cc(C3CC[NH2+]CC3)no2)C[C@H](C)O1 ZINC000425895352 429349498 /nfs/dbraw/zinc/34/94/98/429349498.db2.gz IXDUIXRCUXRARS-KBPBESRZSA-N 2 0 321.465 2.825 20 0 DFADRP CS[C@@H]1CCC[C@@H]([NH2+]Cc2cc(C3CC[NH2+]CC3)no2)C1 ZINC000425901900 429351370 /nfs/dbraw/zinc/35/13/70/429351370.db2.gz REDZPMRPBQKJKU-UKRRQHHQSA-N 2 0 309.479 2.905 20 0 DFADRP Cc1ccc(OCC[NH2+]Cc2cc(C3CC[NH2+]CC3)no2)cc1 ZINC000425904255 429351405 /nfs/dbraw/zinc/35/14/05/429351405.db2.gz XRMYXNDFIJKAAH-UHFFFAOYSA-N 2 0 315.417 2.619 20 0 DFADRP Cc1cc(C[NH2+]C2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)cs1 ZINC000449188313 429352520 /nfs/dbraw/zinc/35/25/20/429352520.db2.gz KMGQJKZZDUAXMN-SJORKVTESA-N 2 0 308.491 2.914 20 0 DFADRP C[C@H](Cc1ccoc1)[NH2+]C1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000449182873 429352830 /nfs/dbraw/zinc/35/28/30/429352830.db2.gz DCZMJIZFZQZQPV-ZTFGCOKTSA-N 2 0 306.450 2.568 20 0 DFADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]CC2CC(F)(F)C2)[C@@H](C)C1 ZINC000425952309 429354834 /nfs/dbraw/zinc/35/48/34/429354834.db2.gz PAVNAMBISXEIFH-ZFWWWQNUSA-N 2 0 304.425 2.758 20 0 DFADRP CC1=C[C@H](C)C[C@H](C[NH+]2CCN([C@H]3CCC[N@H+](C)C3)CC2)C1 ZINC000365665255 429359472 /nfs/dbraw/zinc/35/94/72/429359472.db2.gz FHELSSZFIBMOPX-WDSOQIARSA-N 2 0 305.510 2.691 20 0 DFADRP CCc1noc(C2CCC([N@@H+]3C[C@@H](C)[C@](C)(C[NH3+])C3)CC2)n1 ZINC000514588100 429364589 /nfs/dbraw/zinc/36/45/89/429364589.db2.gz IQKOJCRQHBMJEW-QROZZAMVSA-N 2 0 306.454 2.575 20 0 DFADRP C[NH+](C)CC1(C(=O)N2CCC[C@@H]2C[NH+]2CCCC2)CCCCC1 ZINC000426117963 429366864 /nfs/dbraw/zinc/36/68/64/429366864.db2.gz XCDFYWRXRHCSCX-QGZVFWFLSA-N 2 0 321.509 2.585 20 0 DFADRP C=Cn1cc(C[NH+]2CCC(C[NH+]3CCC(C)CC3)CC2)cn1 ZINC000365796752 429373466 /nfs/dbraw/zinc/37/34/66/429373466.db2.gz REASLIZOZHTZQE-UHFFFAOYSA-N 2 0 302.466 2.928 20 0 DFADRP O=C(NC1CC[NH+](C2CCCCC2)CC1)[C@H]1CCC[N@@H+]1C1CC1 ZINC000426704057 429410692 /nfs/dbraw/zinc/41/06/92/429410692.db2.gz PAPLFNSMTMYIQV-GOSISDBHSA-N 2 0 319.493 2.527 20 0 DFADRP C[NH+](C)CC1(C(=O)N[C@H]2CC[N@@H+](C3CCCC3)C2)CCCCC1 ZINC000426364519 429385169 /nfs/dbraw/zinc/38/51/69/429385169.db2.gz ZQADDWDNFLLZEK-INIZCTEOSA-N 2 0 321.509 2.632 20 0 DFADRP CC(C)[C@@H](CCc1ccccc1)[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000360252294 275668629 /nfs/dbraw/zinc/66/86/29/275668629.db2.gz VWXIQCHCRSJOMR-RBUKOAKNSA-N 2 0 304.478 2.690 20 0 DFADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)C[C@H]2CCCC[C@@H]2[NH3+])C1 ZINC000449325905 429387841 /nfs/dbraw/zinc/38/78/41/429387841.db2.gz QKFDSCNGBVWRTA-XDNAFOTISA-N 2 0 323.525 2.768 20 0 DFADRP COc1cc(F)cc(C[N@@H+]2CC[C@H](C3CC[NH+](C)CC3)C2)c1 ZINC000449324588 429387848 /nfs/dbraw/zinc/38/78/48/429387848.db2.gz GGRCAHFNUAHRNE-INIZCTEOSA-N 2 0 306.425 2.998 20 0 DFADRP CC1(C)CCC[N@@H+]1CCNC(=O)[C@H]1CCCC[NH+]1C1CCCC1 ZINC000457058818 429389071 /nfs/dbraw/zinc/38/90/71/429389071.db2.gz PYOHUOMMXCCTTL-QGZVFWFLSA-N 2 0 321.509 2.774 20 0 DFADRP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1NC(=O)C[C@@H]1CCC[NH2+]CC1 ZINC000427269069 429441510 /nfs/dbraw/zinc/44/15/10/429441510.db2.gz GHQUMTSURTUWME-SQNIBIBYSA-N 2 0 323.525 2.783 20 0 DFADRP CCCC[N@@H+]1CCCC[C@H]1CNC(=O)C[C@H]1CCC[NH2+]CC1 ZINC000427290766 429442108 /nfs/dbraw/zinc/44/21/08/429442108.db2.gz WWDMDBMNNXHKGO-IRXDYDNUSA-N 2 0 309.498 2.537 20 0 DFADRP CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)C[C@@H]2CCC[NH2+]CC2)C1 ZINC000427294463 429444139 /nfs/dbraw/zinc/44/41/39/429444139.db2.gz ITZXTSSOFKVFIX-IAGOWNOFSA-N 2 0 323.525 2.783 20 0 DFADRP O=C(C[C@@H]1CCC[NH2+]CC1)NC1CC[NH+](CC2CCCC2)CC1 ZINC000427298260 429444243 /nfs/dbraw/zinc/44/42/43/429444243.db2.gz ASQVOTIICSNEQQ-MRXNPFEDSA-N 2 0 321.509 2.537 20 0 DFADRP Cc1csc(N2CCC([NH2+]C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)n1 ZINC000449560701 429447232 /nfs/dbraw/zinc/44/72/32/429447232.db2.gz OPDLTZCZOQTBMB-MQVJKMGUSA-N 2 0 320.506 2.635 20 0 DFADRP O=C(CC[NH2+]C1CC[NH+](CC2CC2)CC1)Nc1cccc(F)c1 ZINC000519141642 429448817 /nfs/dbraw/zinc/44/88/17/429448817.db2.gz OPMLDIZZQXCPPN-UHFFFAOYSA-N 2 0 319.424 2.618 20 0 DFADRP c1csc([C@@H]([NH2+]C[C@H]2CCCn3ccnc32)c2ncc[nH]2)c1 ZINC000366440578 429453437 /nfs/dbraw/zinc/45/34/37/429453437.db2.gz BWMHOPLMORLMIH-TZMCWYRMSA-N 2 0 313.430 2.924 20 0 DFADRP C[C@@H]([NH2+]CCC1(CO)CC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000449576863 429453883 /nfs/dbraw/zinc/45/38/83/429453883.db2.gz BUCSWNLLWXEAAB-SJLPKXTDSA-N 2 0 302.462 2.649 20 0 DFADRP Cc1ccc([C@@H]([NH2+]C[C@H](O)C[NH+]2CCCC2)C2CCC2)cc1 ZINC000427617645 429459441 /nfs/dbraw/zinc/45/94/41/429459441.db2.gz JEHYEHYOBOJZKD-OALUTQOASA-N 2 0 302.462 2.883 20 0 DFADRP CC(C)[NH+]1CCC(N(C)C(=O)C2C[NH+](C3CCCCC3)C2)CC1 ZINC000457423483 429462435 /nfs/dbraw/zinc/46/24/35/429462435.db2.gz AUIUDASGQGJMGX-UHFFFAOYSA-N 2 0 321.509 2.582 20 0 DFADRP C[C@H](C[NH2+][C@H]1CCC[C@@H](c2ccnn2C)C1)C[NH+]1CCCC1 ZINC000366075714 429412655 /nfs/dbraw/zinc/41/26/55/429412655.db2.gz XBIFWCKGSUPACB-ZACQAIPSSA-N 2 0 304.482 2.768 20 0 DFADRP C[NH+](C)CC1(C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)CCCCC1 ZINC000426781906 429414742 /nfs/dbraw/zinc/41/47/42/429414742.db2.gz DUVMVGYRQQDXIN-ALOPSCKCSA-N 2 0 321.509 2.630 20 0 DFADRP CC[NH+]1CCN(c2ccccc2C[N@@H+]2CC[C@H](SC)C2)CC1 ZINC000449444847 429421409 /nfs/dbraw/zinc/42/14/09/429421409.db2.gz DWFAKDZIXQVSMI-KRWDZBQOSA-N 2 0 319.518 2.766 20 0 DFADRP CC[N@H+](C)[C@H](C(=O)NCCCC[NH+](C)C1CC1)c1ccccc1 ZINC000457203329 429424663 /nfs/dbraw/zinc/42/46/63/429424663.db2.gz OKPRLFFXQXILHB-SFHVURJKSA-N 2 0 317.477 2.670 20 0 DFADRP C[C@@H]([NH2+]Cc1cccc(NC(=O)C2CCC2)c1)[C@@H]1CC[NH2+]C1 ZINC000518727316 429431750 /nfs/dbraw/zinc/43/17/50/429431750.db2.gz LUIZRKYQJLRDDW-CZUORRHYSA-N 2 0 301.434 2.513 20 0 DFADRP Cc1ccc(C[N@@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)c(-c2cnn(C)c2)c1 ZINC000427122279 429433233 /nfs/dbraw/zinc/43/32/33/429433233.db2.gz PTDCDCURCPZNSW-VQIMIIECSA-N 2 0 310.445 2.579 20 0 DFADRP Cc1cc(C)c(CNC(=O)NCCC[N@H+]2CCCC[C@H]2C)cn1 ZINC000457504045 429476514 /nfs/dbraw/zinc/47/65/14/429476514.db2.gz MIZVNNOTPMXCPR-MRXNPFEDSA-N 2 0 318.465 2.762 20 0 DFADRP CC[N@H+](Cc1ccc(C(=O)N(C)C2(C[NH3+])CCC2)cc1)C(C)C ZINC000449689357 429481638 /nfs/dbraw/zinc/48/16/38/429481638.db2.gz ZKQDEYYTRGIRRI-UHFFFAOYSA-N 2 0 317.477 2.870 20 0 DFADRP C[C@@H](Cc1ccccc1)[NH+]1CCC([NH2+]C[C@@H](O)C2CCC2)CC1 ZINC000449739972 429493626 /nfs/dbraw/zinc/49/36/26/429493626.db2.gz NALKLKRYNFTZPD-OXJNMPFZSA-N 2 0 316.489 2.833 20 0 DFADRP CC[N@H+](Cc1ccc(C(=O)N[C@H]2CC[NH2+]C2(C)C)cc1)C(C)C ZINC000449748287 429497959 /nfs/dbraw/zinc/49/79/59/429497959.db2.gz BEFUHCMBKSVNAJ-KRWDZBQOSA-N 2 0 317.477 2.787 20 0 DFADRP CC[NH+](CC)CCCN1CCC[C@H]1c1ccc(CNC(C)=O)o1 ZINC000366814079 429517642 /nfs/dbraw/zinc/51/76/42/429517642.db2.gz XYUSKJWVUNQLLJ-KRWDZBQOSA-N 2 0 321.465 2.785 20 0 DFADRP CC(C)[N@H+](C)CC1CC[NH+](CC[S@@](=O)c2ccccc2)CC1 ZINC000520606894 429523407 /nfs/dbraw/zinc/52/34/07/429523407.db2.gz UENNNBQNAGOWQM-JOCHJYFZSA-N 2 0 322.518 2.846 20 0 DFADRP CSC[C@@H](O)C[NH2+]Cc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000521426682 429551079 /nfs/dbraw/zinc/55/10/79/429551079.db2.gz LOAJKHNFHMGSDN-SFHVURJKSA-N 2 0 322.518 2.876 20 0 DFADRP CC[NH+](CC)CCCN1CC[C@@](C(=O)OC)(c2ccccc2)C1 ZINC000428807241 429553773 /nfs/dbraw/zinc/55/37/73/429553773.db2.gz QOOIJNOZYHRGDI-IBGZPJMESA-N 2 0 318.461 2.535 20 0 DFADRP C[NH2+]CCC1CC[NH+](CC(=O)NCCCC2CCCCC2)CC1 ZINC000521624480 429558502 /nfs/dbraw/zinc/55/85/02/429558502.db2.gz GSEBFIPHZJPTLW-UHFFFAOYSA-N 2 0 323.525 2.785 20 0 DFADRP Cc1ccc(NC(=O)CC[NH2+]CC[C@@H](C)[NH+]2CCCCC2)nc1 ZINC000521614228 429558625 /nfs/dbraw/zinc/55/86/25/429558625.db2.gz CUIPJYMFUXXHFL-MRXNPFEDSA-N 2 0 318.465 2.573 20 0 DFADRP [NH3+][C@@H]1CCC[C@@H]([NH2+][C@@H]2CCN(c3ccc(F)c(Cl)c3)C2)C1 ZINC000521899485 429568293 /nfs/dbraw/zinc/56/82/93/429568293.db2.gz YDPXTVKHGOKSST-JHJVBQTASA-N 2 0 311.832 2.917 20 0 DFADRP C[C@H]1CN(c2cc[nH+]c3ccccc32)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000367061921 429569137 /nfs/dbraw/zinc/56/91/37/429569137.db2.gz ZBAOHYOZKQYHRJ-LPHOPBHVSA-N 2 0 324.472 2.697 20 0 DFADRP C[C@@H]1C[NH+](CCCC[NH2+][C@H]2CCCC23CCOCC3)C[C@@H](C)O1 ZINC000367066097 429569860 /nfs/dbraw/zinc/56/98/60/429569860.db2.gz LODQSPCBRBWGOC-KURKYZTESA-N 2 0 324.509 2.815 20 0 DFADRP CCC[N@H+](CC)Cc1ccc(C(=O)NCC[C@H]2CC[NH2+]C2)cc1 ZINC000429107287 429578797 /nfs/dbraw/zinc/57/87/97/429578797.db2.gz AERGCEUGQSKKDS-MRXNPFEDSA-N 2 0 317.477 2.648 20 0 DFADRP Cc1cccc(C[N@@H+](C)[C@@H]2CCN(C3CC[NH+](C)CC3)C2)c1 ZINC000367117425 429581809 /nfs/dbraw/zinc/58/18/09/429581809.db2.gz OXTBIZZWSVBDKK-LJQANCHMSA-N 2 0 301.478 2.595 20 0 DFADRP CC(C)[N@H+](C)Cc1cccc(CNC(=O)C[C@H]2CCC[NH2+]C2)c1 ZINC000521068116 429537933 /nfs/dbraw/zinc/53/79/33/429537933.db2.gz MUBWTRCQKBDKQE-QGZVFWFLSA-N 2 0 317.477 2.533 20 0 DFADRP C[C@H](NC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1)C(C)(C)C[NH+](C)C ZINC000449936619 429541146 /nfs/dbraw/zinc/54/11/46/429541146.db2.gz DSLCWMALTBQIFE-DOTOQJQBSA-N 2 0 323.525 2.876 20 0 DFADRP C[N@@H+]1CCCC[C@@H]1CN1CC[NH+](C[C@@H]2CCC(F)(F)C2)CC1 ZINC000450392685 429616540 /nfs/dbraw/zinc/61/65/40/429616540.db2.gz OVVXJVQHGYSPAU-HZPDHXFCSA-N 2 0 315.452 2.524 20 0 DFADRP CCc1ccc2[nH+]ccc(N3CC[N@H+](C[C@@H](C)O)C[C@H]3C)c2c1 ZINC000450452763 429629719 /nfs/dbraw/zinc/62/97/19/429629719.db2.gz ICFLXICAEWGFFC-HUUCEWRRSA-N 2 0 313.445 2.689 20 0 DFADRP C[C@@H](O)CC[N@@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000450456788 429632290 /nfs/dbraw/zinc/63/22/90/429632290.db2.gz UKDIUACCQOYUMG-IEBWSBKVSA-N 2 0 302.462 2.745 20 0 DFADRP CCN1CC[C@H]2CC[C@@H](C1)[N@@H+]2C[C@@H](O)[C@@H](C)c1ccccc1 ZINC000450478495 429637305 /nfs/dbraw/zinc/63/73/05/429637305.db2.gz GUVUXTWSGHRVEG-WZGPROSRSA-N 2 0 302.462 2.710 20 0 DFADRP CCN1CC[C@H]2CC[C@@H](C1)[N@@H+]2C[C@H](O)[C@H](C)c1ccccc1 ZINC000450478496 429637678 /nfs/dbraw/zinc/63/76/78/429637678.db2.gz GUVUXTWSGHRVEG-YSHGAJCASA-N 2 0 302.462 2.710 20 0 DFADRP FC1(F)CC[C@H](C[NH+]2CCC(CC[NH+]3CCOCC3)CC2)C1 ZINC000450316490 429597157 /nfs/dbraw/zinc/59/71/57/429597157.db2.gz HGBOGJNELNNKRM-INIZCTEOSA-N 2 0 316.436 2.856 20 0 DFADRP CC(C)[NH+]1CCC([N@H+](C)C[C@@H](O)[C@@H](C)c2ccccc2)CC1 ZINC000450340144 429604285 /nfs/dbraw/zinc/60/42/85/429604285.db2.gz UPOBZVYIJRXJLB-QFBILLFUSA-N 2 0 304.478 2.956 20 0 DFADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]C[C@]1(CO)C[C@@H]1c1ccc(F)cc1 ZINC000429430556 429608774 /nfs/dbraw/zinc/60/87/74/429608774.db2.gz RYBCDTQAWCKBDL-ACJWMLNOSA-N 2 0 320.452 2.610 20 0 DFADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@]2(CO)C[C@@H]2c2ccc(F)cc2)[C@@H](C)C1 ZINC000429460199 429609460 /nfs/dbraw/zinc/60/94/60/429609460.db2.gz XENYQWQLLOQGNC-VLQPXKRTSA-N 2 0 320.452 2.612 20 0 DFADRP C[C@H](O)C[N@H+](C)C1CC[NH+](C[C@H]2CCCCC2(F)F)CC1 ZINC000450373328 429612970 /nfs/dbraw/zinc/61/29/70/429612970.db2.gz TXIQXSJZDGWWCK-UONOGXRCSA-N 2 0 304.425 2.589 20 0 DFADRP C[N@@H+]1CCC[C@H](N2CC[NH+](CC3CCC(C)(C)CC3)CC2)C1 ZINC000367472274 429658244 /nfs/dbraw/zinc/65/82/44/429658244.db2.gz HNPGRNNZSHUDSJ-SFHVURJKSA-N 2 0 307.526 2.915 20 0 DFADRP C[C@H]([NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1)c1cccc(-n2ccnn2)c1 ZINC000367490184 429658693 /nfs/dbraw/zinc/65/86/93/429658693.db2.gz NIGVBDWMGNRWNW-UAGQMJEPSA-N 2 0 311.433 2.545 20 0 DFADRP C[N@@H+]1CC[C@H]([NH2+]Cc2ccc(OCC3CC3)nc2)[C@@H]2CCC[C@H]21 ZINC000367517652 429664215 /nfs/dbraw/zinc/66/42/15/429664215.db2.gz CVPGILXNHSZOEU-OKZBNKHCSA-N 2 0 315.461 2.833 20 0 DFADRP CC(C)[C@H]([NH3+])C(=O)NC[C@H](c1ccccc1)[NH+]1CCC(C)CC1 ZINC000165724840 276020143 /nfs/dbraw/zinc/02/01/43/276020143.db2.gz YOHCNEMMNDGCQN-MSOLQXFVSA-N 2 0 317.477 2.559 20 0 DFADRP CCOC1CC(C[NH+]2CCC(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)C1 ZINC000367553179 429669695 /nfs/dbraw/zinc/66/96/95/429669695.db2.gz LSPAILLDPWVDTI-CCZBSFLLSA-N 2 0 324.509 2.623 20 0 DFADRP CC[NH+](CC)CCOCC[NH2+][C@H]1CCCc2ccc(O)cc21 ZINC000361002536 276100144 /nfs/dbraw/zinc/10/01/44/276100144.db2.gz KGUGEFQASKHVMZ-SFHVURJKSA-N 2 0 306.450 2.718 20 0 DFADRP CC[NH+](CC)[C@H](C(=O)NC[C@H](C)[N@H+](C)C1CC1)c1ccccc1 ZINC000355662246 276115329 /nfs/dbraw/zinc/11/53/29/276115329.db2.gz YYMMKHGYNSCHMJ-YJBOKZPZSA-N 2 0 317.477 2.668 20 0 DFADRP Cc1cc(F)ccc1[C@H](O)CN(C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000367583784 429677456 /nfs/dbraw/zinc/67/74/56/429677456.db2.gz FWLIVLSXELEOHR-IXEWLPCDSA-N 2 0 306.425 2.725 20 0 DFADRP CN(CC[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@H]21)Cc1ccccc1 ZINC000367599899 429681042 /nfs/dbraw/zinc/68/10/42/429681042.db2.gz IMXYIPUWYUGUAZ-OTWHNJEPSA-N 2 0 301.478 2.581 20 0 DFADRP CC[NH+]1CCN(CCC[NH2+][C@@H]2CC(C)(C)Cc3occc32)CC1 ZINC000154256286 276195084 /nfs/dbraw/zinc/19/50/84/276195084.db2.gz OLFDJSRKMHBOAX-QGZVFWFLSA-N 2 0 319.493 2.910 20 0 DFADRP CC[NH+]1CCN([C@@H]2CC[N@H+](C[C@H]3CC(C)=C[C@H](C)C3)C2)CC1 ZINC000356219314 276198344 /nfs/dbraw/zinc/19/83/44/276198344.db2.gz GTDDIJJXVKDCGU-QXAKKESOSA-N 2 0 305.510 2.691 20 0 DFADRP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)[NH2+]C[C@@H](C)OC)CC1 ZINC000182432542 276202880 /nfs/dbraw/zinc/20/28/80/276202880.db2.gz MRHLTOCJTYZJKF-HUUCEWRRSA-N 2 0 323.456 2.653 20 0 DFADRP CN(CC[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@H]21)Cc1ccccc1 ZINC000367599898 429682642 /nfs/dbraw/zinc/68/26/42/429682642.db2.gz IMXYIPUWYUGUAZ-IPMKNSEASA-N 2 0 301.478 2.581 20 0 DFADRP CC[N@@H+]1CC[C@H]([NH2+]CCc2nc3c(s2)CCCC3)[C@@H](C)C1 ZINC000246463495 276228721 /nfs/dbraw/zinc/22/87/21/276228721.db2.gz QBCKWRQHVAFOMT-KBPBESRZSA-N 2 0 307.507 2.884 20 0 DFADRP C[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CCN(c3ccccc3)C2)[C@H]2CCC[C@@H]21 ZINC000367611164 429685480 /nfs/dbraw/zinc/68/54/80/429685480.db2.gz AMJWTZDAZSSYOS-RNQOJCNYSA-N 2 0 313.489 2.975 20 0 DFADRP CSc1ccccc1NC(=O)CCN1CCC[C@H](C)[C@@H]1C[NH3+] ZINC000430551789 429688928 /nfs/dbraw/zinc/68/89/28/429688928.db2.gz ISYHTKXJLQYGQZ-ZFWWWQNUSA-N 2 0 321.490 2.796 20 0 DFADRP CCOCCC[NH2+][C@H]1CC2(CC[NH+](C)CC2)Oc2ccccc21 ZINC000375014264 276317168 /nfs/dbraw/zinc/31/71/68/276317168.db2.gz ASIFPYQKFCSGBI-KRWDZBQOSA-N 2 0 318.461 2.991 20 0 DFADRP CCO[C@@H]1C[C@H]([NH2+]C2CC[NH+](C3CCCCC3)CC2)[C@H]1OC ZINC000357239154 276351555 /nfs/dbraw/zinc/35/15/55/276351555.db2.gz RHHJXCGVLALKOE-RCCFBDPRSA-N 2 0 310.482 2.566 20 0 DFADRP CCO[C@@H]1C[C@H]([NH2+]C2CC[NH+]([C@@H]3CCC[C@H](C)C3)CC2)[C@H]1OC ZINC000361157433 276351570 /nfs/dbraw/zinc/35/15/70/276351570.db2.gz WNIMDHOBKCYUEV-IKLKHMQRSA-N 2 0 324.509 2.812 20 0 DFADRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@H]1CSCCc2ccccc21 ZINC000166035107 276357808 /nfs/dbraw/zinc/35/78/08/276357808.db2.gz BGUXCACYTURKPE-AEFFLSMTSA-N 2 0 322.518 2.963 20 0 DFADRP [NH3+]C[C@@H]1CCC[N@H+](CCc2nc(-c3ccc(Cl)cc3)no2)C1 ZINC000430600126 429701780 /nfs/dbraw/zinc/70/17/80/429701780.db2.gz ABKKQVNGZQXHFU-LBPRGKRZSA-N 2 0 320.824 2.603 20 0 DFADRP C[N@H+](CCc1nc(-c2cccc(Cl)c2)no1)CC(C)(C)C[NH3+] ZINC000430603657 429702152 /nfs/dbraw/zinc/70/21/52/429702152.db2.gz ZCFUDOHYNTXBBI-UHFFFAOYSA-N 2 0 322.840 2.849 20 0 DFADRP COc1ccc(-c2nc(C[NH+]3CCC(C[NH3+])CC3)co2)cc1 ZINC000430622138 429702511 /nfs/dbraw/zinc/70/25/11/429702511.db2.gz DRSJHDHSUPAZSZ-UHFFFAOYSA-N 2 0 301.390 2.521 20 0 DFADRP CC(C)c1ccccc1NC(=O)[C@H](C)[NH+]1CCC(C[NH3+])CC1 ZINC000430637672 429705814 /nfs/dbraw/zinc/70/58/14/429705814.db2.gz BMYNJIMUHDUZJD-AWEZNQCLSA-N 2 0 303.450 2.808 20 0 DFADRP C[C@H]1CCCN(c2cc(NC3C[C@H]4CC[C@@H](C3)[N@H+]4C)ncn2)C1 ZINC000450821972 429706821 /nfs/dbraw/zinc/70/68/21/429706821.db2.gz AQKNXDIUWJOWKT-HNSVSWJLSA-N 2 0 315.465 2.750 20 0 DFADRP C[C@H](CNC(=O)[C@@H]1CCCCCC[C@H]1[NH3+])[N@@H+]1CCCC[C@H]1C ZINC000430758720 429714378 /nfs/dbraw/zinc/71/43/78/429714378.db2.gz DGGGSFQNPRKMEH-QBPKDAKJSA-N 2 0 309.498 2.663 20 0 DFADRP C[NH2+]CC1CC[NH+]([C@H](C)C(=O)Nc2cc(Cl)ccc2C)CC1 ZINC000430917432 429722574 /nfs/dbraw/zinc/72/25/74/429722574.db2.gz DEEWFDOTDSAWBA-CYBMUJFWSA-N 2 0 323.868 2.907 20 0 DFADRP CC(C)[C@H]1CC[C@@H](C)C[C@H]1[NH2+]CCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000482541097 429726835 /nfs/dbraw/zinc/72/68/35/429726835.db2.gz DRQSRPTWVWCOEI-BRSBDYLESA-N 2 0 323.525 2.624 20 0 DFADRP Clc1ccc2ncc(C[NH+]3CCC4(CC[NH2+]C4)CC3)n2c1 ZINC000430958663 429729968 /nfs/dbraw/zinc/72/99/68/429729968.db2.gz UEOAGRFGPRUQLT-UHFFFAOYSA-N 2 0 304.825 2.563 20 0 DFADRP C[N@H+](CCOC1CCC1)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000367859978 429730984 /nfs/dbraw/zinc/73/09/84/429730984.db2.gz YQVSVZNRZLGGIZ-UHFFFAOYSA-N 2 0 303.450 2.799 20 0 DFADRP C[C@@H]1C[N@H+](CCc2nc(-c3ccc(Cl)cc3)no2)CC[C@@H]1[NH3+] ZINC000430970875 429732012 /nfs/dbraw/zinc/73/20/12/429732012.db2.gz IWZLTKGQDCXNGX-RISCZKNCSA-N 2 0 320.824 2.602 20 0 DFADRP CC(C)[NH+]1CCC(NC(=O)C[N@@H+]2CCC[C@H](C(C)(C)C)C2)CC1 ZINC000483237855 429733240 /nfs/dbraw/zinc/73/32/40/429733240.db2.gz BUWCIEJEPGVVFX-INIZCTEOSA-N 2 0 323.525 2.734 20 0 DFADRP C[C@@H](c1nc(-c2cccs2)no1)[NH+]1CCC2(CC[NH2+]C2)CC1 ZINC000431011433 429733318 /nfs/dbraw/zinc/73/33/18/429733318.db2.gz AKYRFMYCECRCNL-LBPRGKRZSA-N 2 0 318.446 2.935 20 0 DFADRP O=C(C[NH+]1CCC2(CC[NH2+]C2)CC1)NCCCC1CCCCC1 ZINC000431028382 429734884 /nfs/dbraw/zinc/73/48/84/429734884.db2.gz PTOAJPKULMDXCX-UHFFFAOYSA-N 2 0 321.509 2.539 20 0 DFADRP CC(C)(C[NH3+])C(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC000431060531 429737583 /nfs/dbraw/zinc/73/75/83/429737583.db2.gz SKNHWRLBGFROMA-UHFFFAOYSA-N 2 0 303.450 2.638 20 0 DFADRP Cc1ccccc1[C@H]1C[C@@H](C)[N@@H+](Cc2nc(C(C)(C)[NH3+])no2)C1 ZINC000431078686 429739304 /nfs/dbraw/zinc/73/93/04/429739304.db2.gz GRTGZJQPYCIOGI-KGLIPLIRSA-N 2 0 314.433 2.950 20 0 DFADRP CCn1ccnc1C[N@H+](C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000367901364 429739995 /nfs/dbraw/zinc/73/99/95/429739995.db2.gz GTXPTTSFXOSGKO-UHFFFAOYSA-N 2 0 313.449 2.646 20 0 DFADRP C[C@@H]1C[N@@H+]2CCCC[C@@H]2CN1Cc1cncn1Cc1ccccc1 ZINC000527324962 429743751 /nfs/dbraw/zinc/74/37/51/429743751.db2.gz STBLZNLIDRMJQG-IEBWSBKVSA-N 2 0 324.472 2.990 20 0 DFADRP CCC[NH+]1CCC([NH2+][C@@H]2CCN(c3ccccc3F)C2)CC1 ZINC000368139186 429797207 /nfs/dbraw/zinc/79/72/07/429797207.db2.gz HNHZHDOGUMMEQC-MRXNPFEDSA-N 2 0 305.441 2.868 20 0 DFADRP Cc1nccn1CCC[N@@H+]1CC[C@H](n2cnc3c2CCCC3)C1 ZINC000432080636 429797832 /nfs/dbraw/zinc/79/78/32/429797832.db2.gz PTVAFTCTGIAOGB-INIZCTEOSA-N 2 0 313.449 2.604 20 0 DFADRP C[C@H](c1ccccc1)[C@H](O)C[N@@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000451070362 429761454 /nfs/dbraw/zinc/76/14/54/429761454.db2.gz OLYJJJJCVTVPDI-QRQLOZEOSA-N 2 0 302.462 2.569 20 0 DFADRP CC(C)(C)[NH+]1CCC([NH2+][C@@H]2COc3ccc(F)cc3C2)CC1 ZINC000368006869 429765047 /nfs/dbraw/zinc/76/50/47/429765047.db2.gz OQODWBBSPVDYKG-INIZCTEOSA-N 2 0 306.425 2.982 20 0 DFADRP C[C@H]1CN(CC[N@H+](C)Cc2ccc(F)cc2)CC[NH+](C2CC2)C1 ZINC000451095585 429768349 /nfs/dbraw/zinc/76/83/49/429768349.db2.gz TXTYIQNKCCHEAL-INIZCTEOSA-N 2 0 319.468 2.674 20 0 DFADRP C[NH+](C)[C@H](CNC(=O)CC[C@H]1CCCC[N@@H+]1C)c1cccs1 ZINC000431572252 429770296 /nfs/dbraw/zinc/77/02/96/429770296.db2.gz SRYZOBFPMJPOQA-HUUCEWRRSA-N 2 0 323.506 2.732 20 0 DFADRP C[C@@H]1CN(CCC[NH2+]Cc2ccc3cc[nH]c3c2)C[C@H](C)O1 ZINC000527631587 429770358 /nfs/dbraw/zinc/77/03/58/429770358.db2.gz BXCCLJLTDMLAPH-GASCZTMLSA-N 2 0 301.434 2.757 20 0 DFADRP CCC[NH+]1CCC(NC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)CC1 ZINC000431615622 429773687 /nfs/dbraw/zinc/77/36/87/429773687.db2.gz YFXUAOJJQVOUGZ-GOSISDBHSA-N 2 0 321.509 2.774 20 0 DFADRP CC(C)[NH+]1CCC([NH2+]C[C@]2(C)OCCc3sccc32)CC1 ZINC000368055323 429776422 /nfs/dbraw/zinc/77/64/22/429776422.db2.gz NMJOSBJTQYKPFE-KRWDZBQOSA-N 2 0 308.491 2.998 20 0 DFADRP C[C@@H](CNC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1)C[NH+]1CCCC1 ZINC000431724966 429778707 /nfs/dbraw/zinc/77/87/07/429778707.db2.gz XWCMKKKYDIZSOR-WMZOPIPTSA-N 2 0 321.509 2.632 20 0 DFADRP CC1CC[NH+](CCNC(=O)C[C@@H](c2ccccc2)[NH+](C)C)CC1 ZINC000431742856 429781466 /nfs/dbraw/zinc/78/14/66/429781466.db2.gz MLDQCYJSMTWYCT-SFHVURJKSA-N 2 0 317.477 2.528 20 0 DFADRP CCCC[NH+]1CCC(NC(=O)CC[C@H]2CCCC[N@@H+]2C)CC1 ZINC000431795847 429784730 /nfs/dbraw/zinc/78/47/30/429784730.db2.gz QXRVDBKTZHRSBE-QGZVFWFLSA-N 2 0 309.498 2.632 20 0 DFADRP CC(C)N1CCCC[C@@H]1C[N@@H+]1CCC[C@@H](CC(C)(C)C(N)=O)C1 ZINC000451213614 429788721 /nfs/dbraw/zinc/78/87/21/429788721.db2.gz FFLLNTPSIBWWFB-DLBZAZTESA-N 2 0 323.525 2.863 20 0 DFADRP C[C@H](C[NH+]1CCCCC1)NC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC000431912750 429789517 /nfs/dbraw/zinc/78/95/17/429789517.db2.gz JXEYIECEAQADRK-AEFFLSMTSA-N 2 0 321.509 2.774 20 0 DFADRP Cc1nccn1CCCC[N@@H+]1CCC[C@H](CC(C)(C)C(N)=O)C1 ZINC000451220818 429790137 /nfs/dbraw/zinc/79/01/37/429790137.db2.gz WOWXGIFKBWIRLI-MRXNPFEDSA-N 2 0 320.481 2.585 20 0 DFADRP FC1(F)Oc2cccc(CC[NH2+][C@@H]3CC[N@@H+]4CCC[C@H]4C3)c2O1 ZINC000527754328 429792604 /nfs/dbraw/zinc/79/26/04/429792604.db2.gz JRKVOLGVQIWTDO-KGLIPLIRSA-N 2 0 324.371 2.767 20 0 DFADRP c1cn(CCC[N@@H+]2C[C@H]3CC[NH+](Cc4ccccc4)C[C@@H]3C2)cn1 ZINC000368130990 429793873 /nfs/dbraw/zinc/79/38/73/429793873.db2.gz IEXDMDBXHOALSG-UXHICEINSA-N 3 0 324.472 2.727 20 0 DFADRP COCCOc1ccc(C[N@@H+]2CCC[C@H]3C[NH+](C)CC[C@H]32)cc1 ZINC000368135807 429795338 /nfs/dbraw/zinc/79/53/38/429795338.db2.gz RPTFQEDEMWZKTH-PKOBYXMFSA-N 2 0 318.461 2.628 20 0 DFADRP C[C@H]([NH2+]Cc1ccncc1OCCC[NH+](C)C)[C@@H]1CC12CC2 ZINC000527901674 429818593 /nfs/dbraw/zinc/81/85/93/429818593.db2.gz RVEVMNPOJJZPNQ-HOCLYGCPSA-N 2 0 303.450 2.690 20 0 DFADRP CC(C)[NH+]1CCN([C@@H]2CC[N@@H+]([C@H]3C[C@H]3c3ccccc3)C2)CC1 ZINC000368273468 429821445 /nfs/dbraw/zinc/82/14/45/429821445.db2.gz MSSVEQSJGGAIBO-AABGKKOBSA-N 2 0 313.489 2.643 20 0 DFADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@@]2(C)COc3ccccc3O2)[C@@H](C)C1 ZINC000527927995 429821508 /nfs/dbraw/zinc/82/15/08/429821508.db2.gz DAFGUKRPFLCQNY-MPGHIAIKSA-N 2 0 304.434 2.536 20 0 DFADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@]2(C)COc3ccccc3O2)[C@H](C)C1 ZINC000527928000 429822005 /nfs/dbraw/zinc/82/20/05/429822005.db2.gz DAFGUKRPFLCQNY-RVKKMQEKSA-N 2 0 304.434 2.536 20 0 DFADRP CCO[C@@]1(C)C[C@H]1[NH2+][C@H](C)c1ccc(OCC[NH+](C)C)cc1 ZINC000527974723 429829547 /nfs/dbraw/zinc/82/95/47/429829547.db2.gz OQCLATFSHWMSTD-OLMNPRSZSA-N 2 0 306.450 2.845 20 0 DFADRP OC1CC(C[NH2+][C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)C1 ZINC000528016497 429837206 /nfs/dbraw/zinc/83/72/06/429837206.db2.gz ASCNVVWGXRSWEU-DRRJLQACSA-N 2 0 314.473 2.648 20 0 DFADRP CO[C@H](c1ccccc1)[C@@H](C)[NH2+]C[C@@H]1CN(CC(C)C)CCO1 ZINC000493900290 429848370 /nfs/dbraw/zinc/84/83/70/429848370.db2.gz KXRNHIOPBCRKFG-QRQLOZEOSA-N 2 0 320.477 2.709 20 0 DFADRP COc1cc2c(cc1F)[nH+]ccc2N1CC[C@H]2CC[N@H+](C)[C@H]2C1 ZINC000368448436 429850986 /nfs/dbraw/zinc/85/09/86/429850986.db2.gz AKWLBHHCWQRWRL-PXAZEXFGSA-N 2 0 315.392 2.913 20 0 DFADRP C[NH+]1CCC2(CCC[N@H+](CCCO[C@H]3CCCCO3)C2)CC1 ZINC000368486263 429856870 /nfs/dbraw/zinc/85/68/70/429856870.db2.gz YYXFDZUFNSJHBT-KRWDZBQOSA-N 2 0 310.482 2.728 20 0 DFADRP C[N@H+](Cc1ccccc1)C1CCC([NH2+]CC2(O)CCC2)CC1 ZINC000368500633 429858336 /nfs/dbraw/zinc/85/83/36/429858336.db2.gz XOLUFHURCPNDNF-UHFFFAOYSA-N 2 0 302.462 2.934 20 0 DFADRP C[C@@H]([NH2+]Cc1ccc(CN2CC[NH+](C)CC2)cc1)[C@H]1CC12CC2 ZINC000527848527 429810781 /nfs/dbraw/zinc/81/07/81/429810781.db2.gz KKOIUZJRQAVUEG-VQIMIIECSA-N 2 0 313.489 2.712 20 0 DFADRP C[NH+]1CCN(CCC[NH2+]Cc2csc(Cl)c2Cl)CC1 ZINC000432245090 429810828 /nfs/dbraw/zinc/81/08/28/429810828.db2.gz HEQBHUCDFWZSFO-UHFFFAOYSA-N 2 0 322.305 2.782 20 0 DFADRP CO[C@@H](Cc1ccc(F)cc1)C[N@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000528385353 429883302 /nfs/dbraw/zinc/88/33/02/429883302.db2.gz BPVYEJVFGSAERQ-AEFFLSMTSA-N 2 0 308.441 2.657 20 0 DFADRP CO[C@H](Cc1ccc(F)cc1)C[N@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000528385354 429883567 /nfs/dbraw/zinc/88/35/67/429883567.db2.gz BPVYEJVFGSAERQ-FUHWJXTLSA-N 2 0 308.441 2.657 20 0 DFADRP CC[N@H+](C)C[C@@H]1CC[NH+](C[C@@H](Cc2ccc(F)cc2)OC)C1 ZINC000528399049 429884941 /nfs/dbraw/zinc/88/49/41/429884941.db2.gz QXWITSIBNIGACW-FUHWJXTLSA-N 2 0 308.441 2.657 20 0 DFADRP CC(C)[C@@H](C(=O)Nc1cccc2c1C[N@@H+](C1CC1)C2)[NH+](C)C ZINC000368819220 429896361 /nfs/dbraw/zinc/89/63/61/429896361.db2.gz SCMRBLHAVZGUIF-KRWDZBQOSA-N 2 0 301.434 2.689 20 0 DFADRP CN1CC[NH+](CC2(C)CC[NH+](Cc3ccccc3F)CC2)CC1 ZINC000368835225 429897369 /nfs/dbraw/zinc/89/73/69/429897369.db2.gz REHFQVPNDGFHNZ-UHFFFAOYSA-N 2 0 319.468 2.675 20 0 DFADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N1CCC[C@H](C[NH+]2CCCCC2)C1 ZINC000369021049 429908245 /nfs/dbraw/zinc/90/82/45/429908245.db2.gz GXFAIHFYTGZEQA-QZTJIDSGSA-N 2 0 321.509 2.585 20 0 DFADRP CC[N@H+](C)C[C@@H](O)C[NH+]1CC[C@@H](c2ccc(F)cc2)C1(C)C ZINC000528746555 429912127 /nfs/dbraw/zinc/91/21/27/429912127.db2.gz WKDPZGDXSQDVGJ-SJORKVTESA-N 2 0 308.441 2.706 20 0 DFADRP c1ccc(CC[N@@H+]2CC[C@@H](C[NH2+]C[C@H]3CCSC3)C2)cc1 ZINC000369328467 429923885 /nfs/dbraw/zinc/92/38/85/429923885.db2.gz BDZYTGYKENZEAW-ZWKOTPCHSA-N 2 0 304.503 2.894 20 0 DFADRP Cn1ccnc1[C@H]1CC[N@H+](Cc2ccc(-n3cccn3)cc2)C1 ZINC000368581739 429871846 /nfs/dbraw/zinc/87/18/46/429871846.db2.gz SIIIUVWEGCPCQK-INIZCTEOSA-N 2 0 307.401 2.595 20 0 DFADRP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2Cc1ccc(-c2cc[nH]n2)o1 ZINC000369484992 429955017 /nfs/dbraw/zinc/95/50/17/429955017.db2.gz OQQYPTYRMMHYAN-KGLIPLIRSA-N 2 0 300.406 2.728 20 0 DFADRP COc1ccc(CC[NH2+][C@H]2CCC[C@H]([NH3+])C2)cc1OC(F)F ZINC000573458930 429955114 /nfs/dbraw/zinc/95/51/14/429955114.db2.gz KOYXYZACOYSQSX-STQMWFEESA-N 2 0 314.376 2.699 20 0 DFADRP c1ccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@@H]([NH2+]CC2CC[NH2+]CC2)C3)cc1 ZINC000573593195 429964678 /nfs/dbraw/zinc/96/46/78/429964678.db2.gz IVJAGLGCINQKCB-ACDBMABISA-N 3 0 313.489 2.771 20 0 DFADRP CN(C)CC[NH2+][C@@H]1CCCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000558253779 429965993 /nfs/dbraw/zinc/96/59/93/429965993.db2.gz FAADWEWOGUQVMT-XUVXKRRUSA-N 2 0 315.505 2.828 20 0 DFADRP C[NH+](C)C[C@@H](NC1CC[NH+](CC2CC2)CC1)c1ccc(F)cc1 ZINC000558256484 429966258 /nfs/dbraw/zinc/96/62/58/429966258.db2.gz IDDXXYAPOVKKQO-LJQANCHMSA-N 2 0 319.468 2.892 20 0 DFADRP CC[NH+](CC)Cc1ccc(C(=O)N(C)CCC[NH+](C)C)cc1 ZINC000558715831 429987214 /nfs/dbraw/zinc/98/72/14/429987214.db2.gz JOHDBXFWKWXJCB-UHFFFAOYSA-N 2 0 305.466 2.552 20 0 DFADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+][C@H](C)c2cc(C)oc2C)CC1 ZINC000573669456 429971664 /nfs/dbraw/zinc/97/16/64/429971664.db2.gz ZZILWHHMCMRVLB-GOEBONIOSA-N 2 0 307.482 2.821 20 0 DFADRP Cc1cccc(NC(=O)C[N@H+]2CCC3(C2)CC[NH+](C)CC3)c1C ZINC000639760635 429972490 /nfs/dbraw/zinc/97/24/90/429972490.db2.gz YJMOXNBAQAPOKV-UHFFFAOYSA-N 2 0 315.461 2.660 20 0 DFADRP C[NH+]1CCC2(CC[N@H+](Cc3cc(F)cc4c3OCOC4)C2)CC1 ZINC000639764941 429973537 /nfs/dbraw/zinc/97/35/37/429973537.db2.gz YFMFURUBSSKBNH-UHFFFAOYSA-N 2 0 320.408 2.610 20 0 DFADRP CC[C@H](OCCN1CCC[C@](O)(C[NH+](C)C)C1)c1ccccc1 ZINC000639764700 429973579 /nfs/dbraw/zinc/97/35/79/429973579.db2.gz WPARCHNTQFMWHH-OALUTQOASA-N 2 0 320.477 2.543 20 0 DFADRP CC(C)C[C@H](CNC(=O)CCC[NH3+])[NH2+][C@@H](C)c1ccccc1 ZINC000573717751 429976262 /nfs/dbraw/zinc/97/62/62/429976262.db2.gz BEHMKNDKRIQCET-DOTOQJQBSA-N 2 0 305.466 2.607 20 0 DFADRP C[N@@H+]1CCC[C@@H]1CC[NH+]1CC[C@@H](c2ccc3cccnc3n2)C1 ZINC000639791223 429983941 /nfs/dbraw/zinc/98/39/41/429983941.db2.gz JHNZZGIGHOTIHW-IAGOWNOFSA-N 2 0 310.445 2.903 20 0 DFADRP C[C@H]1CN(CCCc2cncn2C)C[C@H](c2ccsc2)O1 ZINC000573217006 429936390 /nfs/dbraw/zinc/93/63/90/429936390.db2.gz WJHUOQRJWWAMNR-XJKSGUPXSA-N 2 0 305.447 2.876 20 0 DFADRP c1cc(N2CCC[N@@H+](CCc3ccc4c(c3)CCO4)CC2)cc[nH+]1 ZINC000639682703 429945290 /nfs/dbraw/zinc/94/52/90/429945290.db2.gz KAHPCSFLLBNQSL-UHFFFAOYSA-N 2 0 323.440 2.771 20 0 DFADRP c1cc(N2CCCN(Cc3nnc(C4CC4)s3)CC2)cc[nH+]1 ZINC000639684493 429946099 /nfs/dbraw/zinc/94/60/99/429946099.db2.gz VURDGRILTBAIQM-UHFFFAOYSA-N 2 0 315.446 2.523 20 0 DFADRP Cc1ncsc1CC[N@@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC000639683226 429946981 /nfs/dbraw/zinc/94/69/81/429946981.db2.gz SJLLETXXLKDNKW-UHFFFAOYSA-N 2 0 302.447 2.601 20 0 DFADRP C[N@H+](CCCC[NH2+]CCC(=O)Nc1cccc(F)c1)C1CC1 ZINC000573438126 429951641 /nfs/dbraw/zinc/95/16/41/429951641.db2.gz AGFIZOSUYALCJI-UHFFFAOYSA-N 2 0 307.413 2.618 20 0 DFADRP c1cc(N2CCC([NH2+]C[C@H]3CCN3C3CCCC3)CC2)cc[nH+]1 ZINC000529670672 430049109 /nfs/dbraw/zinc/04/91/09/430049109.db2.gz WGHGUYUIYNWXCP-LJQANCHMSA-N 2 0 314.477 2.657 20 0 DFADRP C[C@@H]1C[C@@H]([NH3+])CC[N@@H+]1CCOc1ccc(C(F)(F)F)cc1 ZINC000574410900 430039562 /nfs/dbraw/zinc/03/95/62/430039562.db2.gz XQPNYLBGGUWMAH-YPMHNXCESA-N 2 0 302.340 2.896 20 0 DFADRP CCC1([NH+]2CCCC2)CCN(CCO[C@@H]2CC2(F)F)CC1 ZINC000639987016 430045323 /nfs/dbraw/zinc/04/53/23/430045323.db2.gz DUDAHHLRCWHGBU-CQSZACIVSA-N 2 0 302.409 2.751 20 0 DFADRP Cn1cc2ccc(C[NH2+]C3CCN(c4cc[nH+]cc4)CC3)cc2n1 ZINC000529641634 430046129 /nfs/dbraw/zinc/04/61/29/430046129.db2.gz OFUJQOSXANZBCR-UHFFFAOYSA-N 2 0 321.428 2.727 20 0 DFADRP CCC1([NH+]2CCCC2)CCN(C[C@H](O)CC(F)(F)F)CC1 ZINC000639986762 430046373 /nfs/dbraw/zinc/04/63/73/430046373.db2.gz RERCCMJKGPMYAH-CYBMUJFWSA-N 2 0 308.388 2.640 20 0 DFADRP CCC1([NH+]2CCCC2)CCN(C[C@@H](O)Cc2ccccc2)CC1 ZINC000639986770 430046584 /nfs/dbraw/zinc/04/65/84/430046584.db2.gz RLFLAAPUPSDYHW-IBGZPJMESA-N 2 0 316.489 2.930 20 0 DFADRP CC[N@@H+]1CC[C@H]([NH2+][C@H]2CCN(Cc3ccc(C)cc3)C2)[C@@H](C)C1 ZINC000631748958 429989400 /nfs/dbraw/zinc/98/94/00/429989400.db2.gz MCONTTGQWRRCND-IHPCNDPISA-N 2 0 315.505 2.889 20 0 DFADRP CC[N@H+](CCCn1ccnc1C)[C@@H]1CCN(CC(F)(F)F)C1 ZINC000639821610 429992659 /nfs/dbraw/zinc/99/26/59/429992659.db2.gz VFWZWVZYTIHCTE-CQSZACIVSA-N 2 0 318.387 2.540 20 0 DFADRP COc1ccc(C[N@@H+]2CC[C@@H](C3CC[NH+](C)CC3)C2)c(F)c1 ZINC000574092035 430010460 /nfs/dbraw/zinc/01/04/60/430010460.db2.gz QZFGFRIJLAQMIE-OAHLLOKOSA-N 2 0 306.425 2.998 20 0 DFADRP C[C@H]([NH2+]Cc1ccccc1C[N@@H+]1CC[C@H](O)C1)C1CC(F)(F)C1 ZINC000529540061 430023037 /nfs/dbraw/zinc/02/30/37/430023037.db2.gz DSXVASAKTWVHIO-GUYCJALGSA-N 2 0 324.415 2.777 20 0 DFADRP Cc1ccc(-c2n[nH]cc2C[NH2+][C@H]2CC[NH2+]CC(C)(C)C2)o1 ZINC000634732773 430094349 /nfs/dbraw/zinc/09/43/49/430094349.db2.gz OOAYUNYTLCJCSI-AWEZNQCLSA-N 2 0 302.422 2.846 20 0 DFADRP CC1(C)C[NH2+]CC[C@@H]([NH2+]Cc2cc(Cl)c3c(c2)OCCO3)C1 ZINC000634733070 430094477 /nfs/dbraw/zinc/09/44/77/430094477.db2.gz WPRXXRHFBSMUKH-CYBMUJFWSA-N 2 0 324.852 2.979 20 0 DFADRP C[C@H](C1C[NH2+]C1)[NH+]1CCC(Cc2nc(C3CCCC3)no2)CC1 ZINC000530211569 430104550 /nfs/dbraw/zinc/10/45/50/430104550.db2.gz MPKBVIGCDFXPNR-CYBMUJFWSA-N 2 0 318.465 2.590 20 0 DFADRP CO[C@H](C[N@@H+]1CC2(C[C@H]1C)CC[NH2+]CC2)c1ccc(F)cc1 ZINC000530227392 430104852 /nfs/dbraw/zinc/10/48/52/430104852.db2.gz WZMVJIVAGLMKGF-RHSMWYFYSA-N 2 0 306.425 2.977 20 0 DFADRP C/C(=C/c1ccccc1)C[N@@H+](C)CCCN(C)CC[NH+](C)C ZINC000561981761 430105358 /nfs/dbraw/zinc/10/53/58/430105358.db2.gz FWYIEDUKJPUNGQ-VLGSPTGOSA-N 2 0 303.494 2.905 20 0 DFADRP CO[C@H](Cc1ccc(F)cc1)C[N@@H+]1C[C@H](C[NH3+])[C@@H](C)C[C@@H]1C ZINC000530226141 430106000 /nfs/dbraw/zinc/10/60/00/430106000.db2.gz PXORYXYERMCMPF-ILXVDBEPSA-N 2 0 308.441 2.688 20 0 DFADRP CC(C)(C(=O)N[C@@H]1CC[NH2+]CC(C)(C)C1)[C@@H]([NH3+])c1ccccc1 ZINC000634763475 430106810 /nfs/dbraw/zinc/10/68/10/430106810.db2.gz XMCAVFNFFOPGQH-CVEARBPZSA-N 2 0 317.477 2.607 20 0 DFADRP Cc1ccc(C)c(C[NH+]2CCC(CO[C@@H]3CC[NH2+]C3)CC2)c1 ZINC000530244244 430107091 /nfs/dbraw/zinc/10/70/91/430107091.db2.gz ZWCIADPYRSNRSK-LJQANCHMSA-N 2 0 302.462 2.894 20 0 DFADRP COc1ccc(CC[C@H](C)[NH2+][C@@H]2CC[NH2+]C23CCC3)cc1O ZINC000530243325 430107435 /nfs/dbraw/zinc/10/74/35/430107435.db2.gz HLTZNUMZOFKKOA-SUMWQHHRSA-N 2 0 304.434 2.596 20 0 DFADRP COc1ccc(C[C@@H](C)C[NH2+][C@H]2CC[NH2+]C23CCC3)cc1F ZINC000530245119 430107464 /nfs/dbraw/zinc/10/74/64/430107464.db2.gz UMZNCTGMTUEZLF-DYVFJYSZSA-N 2 0 306.425 2.887 20 0 DFADRP CC(C)[C@H]1CN(C[C@]2(C)CC[NH2+]C2)CC[N@@H+]1Cc1ccccc1 ZINC000530245159 430107674 /nfs/dbraw/zinc/10/76/74/430107674.db2.gz UZLNOKQLQNXLPK-WOJBJXKFSA-N 2 0 315.505 2.828 20 0 DFADRP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+][C@@H]1CCC[C@H]1OC(F)F ZINC000560923344 430071955 /nfs/dbraw/zinc/07/19/55/430071955.db2.gz JPRZRPHFKUXFKG-HUUCEWRRSA-N 2 0 322.359 2.826 20 0 DFADRP CC(C)[N@@H+]1CC[C@@H](CNC(=O)C[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC000561074582 430075430 /nfs/dbraw/zinc/07/54/30/430075430.db2.gz UVEATJRAGJRSNM-WMZOPIPTSA-N 2 0 317.477 2.526 20 0 DFADRP C[NH+](C)CCOc1ccc(CC[NH2+][C@H]2CCOC(C)(C)C2)cc1 ZINC000634680146 430076114 /nfs/dbraw/zinc/07/61/14/430076114.db2.gz LWFQAUSMENTEBJ-KRWDZBQOSA-N 2 0 320.477 2.717 20 0 DFADRP C[C@@H]([NH2+]CCCc1cncn1C)c1ccc2[nH]c(=O)oc2c1 ZINC000640063365 430076439 /nfs/dbraw/zinc/07/64/39/430076439.db2.gz FKJOYFSZGCFXSY-LLVKDONJSA-N 2 0 300.362 2.550 20 0 DFADRP C[N@@H+]1C[C@@H](C[NH2+][C@@H]2CCOC(C)(C)C2)[C@H](c2ccccc2)C1 ZINC000634685988 430077912 /nfs/dbraw/zinc/07/79/12/430077912.db2.gz ZFRRAIRQHRRCFM-KURKYZTESA-N 2 0 302.462 2.879 20 0 DFADRP C[C@@H]([NH3+])c1ccc(NC(=O)C[N@H+](C)CCc2ccccc2)cc1 ZINC000637856489 430149879 /nfs/dbraw/zinc/14/98/79/430149879.db2.gz CEZVFDAMBZUDEK-OAHLLOKOSA-N 2 0 311.429 2.819 20 0 DFADRP CC[NH2+]CCC[NH2+][C@H]1CCc2cc(Br)ccc2C1 ZINC000580827684 430155417 /nfs/dbraw/zinc/15/54/17/430155417.db2.gz DFROZIGIQLZOFS-HNNXBMFYSA-N 2 0 311.267 2.896 20 0 DFADRP C[NH+](C)Cc1cccc(C[NH2+]Cc2ccc3nccnc3c2)c1 ZINC000634951219 430172979 /nfs/dbraw/zinc/17/29/79/430172979.db2.gz PSWXQHFIPQPRNH-UHFFFAOYSA-N 2 0 306.413 2.981 20 0 DFADRP COc1cc(F)cc(OC)c1CN(C)C[C@@H]1CCC[N@H+](C)C1 ZINC000637930737 430176964 /nfs/dbraw/zinc/17/69/64/430176964.db2.gz TUNVJWIUUSQUPL-CYBMUJFWSA-N 2 0 310.413 2.617 20 0 DFADRP C[C@@H]([NH3+])C[C@H](C)[NH2+]CCNc1ncc(C(F)(F)F)cc1Cl ZINC000580639743 430140639 /nfs/dbraw/zinc/14/06/39/430140639.db2.gz NGONETPVCSUQMC-BDAKNGLRSA-N 2 0 324.778 2.881 20 0 DFADRP C[NH+]1CCC(N2CC[C@@H]([NH2+][C@H]3CCCc4ccccc43)C2)CC1 ZINC000370637903 277028197 /nfs/dbraw/zinc/02/81/97/277028197.db2.gz VVEODUGCJMZBHO-XLIONFOSSA-N 2 0 313.489 2.822 20 0 DFADRP CC[NH+](CC)CCN(Cc1cccs1)CC12CC(C1)C[NH2+]2 ZINC000634991395 430185591 /nfs/dbraw/zinc/18/55/91/430185591.db2.gz CDJVTXONVFIYRR-UHFFFAOYSA-N 2 0 307.507 2.644 20 0 DFADRP Cc1cc(C)cc(OC[C@H](O)C[NH2+][C@H]2CCC[C@H]([NH+](C)C)C2)c1 ZINC000581185774 430186096 /nfs/dbraw/zinc/18/60/96/430186096.db2.gz GWQOPSWUXBXVEQ-OKZBNKHCSA-N 2 0 320.477 2.506 20 0 DFADRP C[N@@H+]1CCC[C@@H]1CC[NH+]1CCC[C@H](C(=O)NC2CCCCC2)C1 ZINC000371330126 277060569 /nfs/dbraw/zinc/06/05/69/277060569.db2.gz QVEDRJBFIALDCC-FUHWJXTLSA-N 2 0 321.509 2.632 20 0 DFADRP C[N@@H+]1CCC[C@@H]1CC[NH+]1C[C@H](c2ccccc2)[C@@H]2COCC[C@H]21 ZINC000285965790 277061828 /nfs/dbraw/zinc/06/18/28/277061828.db2.gz NHMZVRORXZWFRX-YSTOQKLRSA-N 2 0 314.473 2.975 20 0 DFADRP Clc1ccccc1N1CC[C@H](C[NH2+]CC23CC(C2)C[NH2+]3)C1 ZINC000634996178 430186948 /nfs/dbraw/zinc/18/69/48/430186948.db2.gz BTCICAGTGNJPOW-TUBUQKNSSA-N 2 0 305.853 2.508 20 0 DFADRP COC(=O)C[C@@H]1CC[C@@H]([NH2+]CCCCC[NH+]2CCCC2)[C@@H]1C ZINC000339499014 277065510 /nfs/dbraw/zinc/06/55/10/277065510.db2.gz XNJIIDDMZXJYCK-IXDOHACOSA-N 2 0 310.482 2.820 20 0 DFADRP COCCc1nc(C)c([C@H](C)[NH2+][C@H]2CC[C@H](C[NH3+])CC2)s1 ZINC000635006347 430194498 /nfs/dbraw/zinc/19/44/98/430194498.db2.gz RBSGTTXNAIQRQB-UBHSHLNASA-N 2 0 311.495 2.809 20 0 DFADRP COc1cccc(OC)c1C[NH+]1CCC(CC[NH+](C)C)CC1 ZINC000637964747 430188126 /nfs/dbraw/zinc/18/81/26/430188126.db2.gz LYFYKKNFSMYWFM-UHFFFAOYSA-N 2 0 306.450 2.868 20 0 DFADRP Cc1ccc([C@H](CNc2nc(C)ncc2C)[NH+]2CCCC2)o1 ZINC000563416867 430188721 /nfs/dbraw/zinc/18/87/21/430188721.db2.gz LVFXRASSXBDMKL-HNNXBMFYSA-N 2 0 300.406 3.244 20 0 DFADRP C[C@@H]1C[N@H+](Cc2cnn(Cc3ccccc3Cl)c2)C[C@@H]1C[NH3+] ZINC000634999284 430188965 /nfs/dbraw/zinc/18/89/65/430188965.db2.gz RYWUTEZVSBYCFJ-CJNGLKHVSA-N 2 0 318.852 2.611 20 0 DFADRP C[C@@H]1C[N@H+](Cc2cn(C)nc2-c2cc3ccccc3o2)C[C@H]1C[NH3+] ZINC000634998845 430189326 /nfs/dbraw/zinc/18/93/26/430189326.db2.gz LSGJKIYXWXVAHC-UKRRQHHQSA-N 2 0 324.428 2.860 20 0 DFADRP [NH3+]C1CCC([NH2+][C@H](CCO)c2ccc(Cl)c(F)c2)CC1 ZINC000634997942 430189595 /nfs/dbraw/zinc/18/95/95/430189595.db2.gz WURYFJBSGUWNHR-KOHJWAIASA-N 2 0 300.805 2.762 20 0 DFADRP C[NH+]1CCN(c2ncccc2C[NH2+][C@@H]2CCC23CCCC3)CC1 ZINC000189088777 277115280 /nfs/dbraw/zinc/11/52/80/277115280.db2.gz NODOAAGJSNWSLJ-QGZVFWFLSA-N 2 0 314.477 2.646 20 0 DFADRP [NH3+][C@@H]1CCC[C@H]([NH2+][C@H](CO)c2cccc(C(F)(F)F)c2)C1 ZINC000634997528 430190242 /nfs/dbraw/zinc/19/02/42/430190242.db2.gz NLJNFFXTUUJMCC-HZSPNIEDSA-N 2 0 302.340 2.598 20 0 DFADRP COc1ccc([C@H](C)[NH2+][C@H]2CC[C@H](C[NH3+])CC2)cc1NC(C)=O ZINC000635003790 430191087 /nfs/dbraw/zinc/19/10/87/430191087.db2.gz BRVKDHPEMGWQKP-NOLJZWGESA-N 2 0 319.449 2.822 20 0 DFADRP CC[C@H](NC[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C)[C@@H]1CCC[NH2+]1 ZINC000635003756 430191364 /nfs/dbraw/zinc/19/13/64/430191364.db2.gz LIERFKPBDUBMAV-LMCOJAPRSA-N 2 0 315.505 2.875 20 0 DFADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CC(=O)N(c2ccccc2Cl)C1 ZINC000581245744 430191790 /nfs/dbraw/zinc/19/17/90/430191790.db2.gz VIKJXTJEVIORPQ-GUTXKFCHSA-N 2 0 321.852 2.552 20 0 DFADRP C[N@H+](CCCC[NH+]1CCCCC1)CC(=O)N1CCCCCC1 ZINC000640532009 430192560 /nfs/dbraw/zinc/19/25/60/430192560.db2.gz OELHNWUQWDHHIS-UHFFFAOYSA-N 2 0 309.498 2.587 20 0 DFADRP Cn1nccc1[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[NH2+]CC(C)(C)C2)C1 ZINC000635007714 430193508 /nfs/dbraw/zinc/19/35/08/430193508.db2.gz BEDLOSOQFPQKFR-OWCLPIDISA-N 2 0 304.482 2.814 20 0 DFADRP C[N@H+](CCCC[NH+]1CCCCC1)[C@@H]1C[C@H]2CCCC[C@@H]2NC1=O ZINC000640534690 430193832 /nfs/dbraw/zinc/19/38/32/430193832.db2.gz RVYDLZOKOFBISQ-FGTMMUONSA-N 2 0 321.509 2.632 20 0 DFADRP C[C@@H](Cc1ccsc1)[NH+]1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000542159399 430201977 /nfs/dbraw/zinc/20/19/77/430201977.db2.gz CXVBIWRMLZFCRR-WMZOPIPTSA-N 2 0 321.534 2.781 20 0 DFADRP C[C@H](Cc1ccsc1)[NH+]1CCN(C[C@H]2CCCC[N@@H+]2C)CC1 ZINC000542159398 430202347 /nfs/dbraw/zinc/20/23/47/430202347.db2.gz CXVBIWRMLZFCRR-SJLPKXTDSA-N 2 0 321.534 2.781 20 0 DFADRP C[C@H](CC(=O)Nc1ccccc1)[NH2+][C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000635012473 430195417 /nfs/dbraw/zinc/19/54/17/430195417.db2.gz UKCVKTBAFSVHMW-GDBMZVCRSA-N 2 0 303.450 2.772 20 0 DFADRP Cc1cc([C@H](C)Nc2cc(N3CC[NH2+]CC3)cc[nH+]2)c(C)o1 ZINC000635008359 430196712 /nfs/dbraw/zinc/19/67/12/430196712.db2.gz JFTODLITHHQCCU-ZDUSSCGKSA-N 2 0 300.406 2.874 20 0 DFADRP C(C[NH+]1CCOCC1)C1CC[NH+](CC2CCSCC2)CC1 ZINC000637988030 430196900 /nfs/dbraw/zinc/19/69/00/430196900.db2.gz NLOAZYWSPUNWKH-UHFFFAOYSA-N 2 0 312.523 2.564 20 0 DFADRP C[N@@H+]1CCC[C@@H]1CCN[C@H](CO)c1ccc(C(F)(F)F)cc1 ZINC000541953379 430197264 /nfs/dbraw/zinc/19/72/64/430197264.db2.gz KJHYEKUEYZUDKB-HUUCEWRRSA-N 2 0 316.367 2.813 20 0 DFADRP COc1ccc(COCCC[NH2+][C@H](C)[C@H]2CCC[NH2+]C2)cc1 ZINC000581304659 430197609 /nfs/dbraw/zinc/19/76/09/430197609.db2.gz VKYVKVQZVMDXDM-WBVHZDCISA-N 2 0 306.450 2.580 20 0 DFADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]Cc1cccc2c1CCOC2 ZINC000635013969 430198406 /nfs/dbraw/zinc/19/84/06/430198406.db2.gz XHCJQRYQXNVBDD-CYBMUJFWSA-N 2 0 311.429 2.772 20 0 DFADRP COCC[C@H](C)[NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]12 ZINC000248418754 277239390 /nfs/dbraw/zinc/23/93/90/277239390.db2.gz TWIBGGAABZRWFV-WZGPROSRSA-N 2 0 302.462 2.912 20 0 DFADRP COC(=O)C[C@@H]1CC[C@@H]([NH2+]C2CCC(C[NH+](C)C)CC2)[C@@H]1C ZINC000354487139 277325546 /nfs/dbraw/zinc/32/55/46/277325546.db2.gz ZBSPPNUMXCXAOJ-NCSWOWMGSA-N 2 0 310.482 2.674 20 0 DFADRP CO[C@H](C[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@@H]21)c1ccc(F)cc1 ZINC000353631564 277332233 /nfs/dbraw/zinc/33/22/33/277332233.db2.gz LYBDKPMRRITBNP-BRSBDYLESA-N 2 0 306.425 2.976 20 0 DFADRP CCC[C@@H](C[N@@H+]1CCCN(Cc2nccn2C(C)C)CC1)OC ZINC000638047049 430220051 /nfs/dbraw/zinc/22/00/51/430220051.db2.gz XBYYTFXMQKETOS-KRWDZBQOSA-N 2 0 322.497 2.787 20 0 DFADRP CC[NH+](CC)Cc1ccc(CNC(=O)[C@H]([NH3+])CCC(C)C)cc1 ZINC000638053619 430220526 /nfs/dbraw/zinc/22/05/26/430220526.db2.gz KNXXQXYCRDNSHC-GOSISDBHSA-N 2 0 319.493 2.908 20 0 DFADRP C[N@H+](C[C@@H]1CCN(c2ccccc2)C1)CC1CC[NH+](C)CC1 ZINC000638029651 430213186 /nfs/dbraw/zinc/21/31/86/430213186.db2.gz RANMCDIRBGPVPX-SFHVURJKSA-N 2 0 301.478 2.787 20 0 DFADRP COc1cncc(/C=C\CC[N@@H+]2CC[C@]3(C2)CCC[NH+](C)C3)c1 ZINC000581486162 430214149 /nfs/dbraw/zinc/21/41/49/430214149.db2.gz YLERDUHIVVWRNX-WSGSOLELSA-N 2 0 315.461 2.911 20 0 DFADRP CC(C)CC[C@@H]([NH3+])C(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000638126479 430244488 /nfs/dbraw/zinc/24/44/88/430244488.db2.gz VYLCBVBRHGKGTB-QGZVFWFLSA-N 2 0 309.498 2.663 20 0 DFADRP C[C@H](C(=O)Nc1ccc(C[NH+]2CCC(C)CC2)cc1)[NH+](C)C ZINC000635344810 430256798 /nfs/dbraw/zinc/25/67/98/430256798.db2.gz MNOUBEOFPWSAAX-OAHLLOKOSA-N 2 0 303.450 2.807 20 0 DFADRP CC1CC[NH+](CCCCNC(=O)[C@@H]2CC[N@@H+]2C2CCCC2)CC1 ZINC000635347362 430257069 /nfs/dbraw/zinc/25/70/69/430257069.db2.gz YQNMYVKVAIZYII-SFHVURJKSA-N 2 0 321.509 2.632 20 0 DFADRP CCCOc1ccc(C[N@@H+]2C[C@H](C[NH3+])C3(C2)CCOCC3)cc1 ZINC000582002695 430257754 /nfs/dbraw/zinc/25/77/54/430257754.db2.gz ASBNBONCOCTBRN-KRWDZBQOSA-N 2 0 318.461 2.663 20 0 DFADRP Cc1nc(C[NH3+])ccc1[C@@H](C)N[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000566408004 430258824 /nfs/dbraw/zinc/25/88/24/430258824.db2.gz XJVQUFKAJYJGJE-GDBMZVCRSA-N 2 0 302.466 2.516 20 0 DFADRP [NH3+][C@H]1CCC[C@@H](Nc2cccc(C[NH+]3CCC(CO)CC3)c2)C1 ZINC000566480988 430266092 /nfs/dbraw/zinc/26/60/92/430266092.db2.gz DFJKWDIQZIMMFP-PKOBYXMFSA-N 2 0 317.477 2.573 20 0 DFADRP CC[NH+]1CCN(c2cccc(N[C@@H]3CCC[C@@H]([NH3+])C3)c2)CC1 ZINC000566481246 430266493 /nfs/dbraw/zinc/26/64/93/430266493.db2.gz GJLOJPJSHUTHRF-HZPDHXFCSA-N 2 0 302.466 2.510 20 0 DFADRP COc1cc2c(cc1CN1CC[C@@]3(CC[N@H+](C)C3)C1)O[C@H](C)C2 ZINC000582099168 430268139 /nfs/dbraw/zinc/26/81/39/430268139.db2.gz NRNBETDUFKYWNY-AUUYWEPGSA-N 2 0 316.445 2.546 20 0 DFADRP CCN(C(=O)[C@@H](C)[NH+](C)C)[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000635404884 430268848 /nfs/dbraw/zinc/26/88/48/430268848.db2.gz JZYINQZVQYJOLG-JZXOWHBKSA-N 2 0 317.477 2.621 20 0 DFADRP C[C@H](C(=O)Nc1ccc(C[NH+]2CCCCCC2)cc1)[NH+](C)C ZINC000635445415 430280154 /nfs/dbraw/zinc/28/01/54/430280154.db2.gz KPOPZOBFFGVEGT-OAHLLOKOSA-N 2 0 303.450 2.951 20 0 DFADRP CC[NH2+][C@@H](C)C(=O)NCc1cccc(C[NH+]2CCC(C)CC2)c1 ZINC000638086178 430230275 /nfs/dbraw/zinc/23/02/75/430230275.db2.gz PQBIGSVMDFHGBF-INIZCTEOSA-N 2 0 317.477 2.533 20 0 DFADRP CC[NH2+][C@H](C)C(=O)Nc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000638087028 430233427 /nfs/dbraw/zinc/23/34/27/430233427.db2.gz MFNPJXWCLJJAMZ-OAHLLOKOSA-N 2 0 303.450 2.999 20 0 DFADRP CC[N@H+](C)C[C@@H](O)C[NH+]1CCC[C@@H]1CCCc1ccccc1 ZINC000581733945 430235508 /nfs/dbraw/zinc/23/55/08/430235508.db2.gz QUSDOZXPQKIZMA-RBUKOAKNSA-N 2 0 304.478 2.786 20 0 DFADRP CC(C)CC[C@H]([NH3+])C(=O)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000638102402 430236473 /nfs/dbraw/zinc/23/64/73/430236473.db2.gz USILEIWAAZRBHM-ROUUACIJSA-N 2 0 323.525 2.865 20 0 DFADRP Cn1ccnc1[C@H](C1CC1)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000638104838 430237128 /nfs/dbraw/zinc/23/71/28/430237128.db2.gz NLSDNBXURPYOEH-IRXDYDNUSA-N 2 0 302.466 2.822 20 0 DFADRP CC(C)[NH2+]CC(=O)Nc1ccc(C[N@@H+]2CCCC[C@H]2C)cc1 ZINC000581737833 430238200 /nfs/dbraw/zinc/23/82/00/430238200.db2.gz UDAZUNLBIZDFIS-OAHLLOKOSA-N 2 0 303.450 2.998 20 0 DFADRP C[C@@H]1C[C@@H]([NH2+]Cc2cccc(OCC[NH+](C)C)c2)C[C@H](C)O1 ZINC000568355096 430349158 /nfs/dbraw/zinc/34/91/58/430349158.db2.gz NJDQUCFIYCAIPN-SCAQPMJSSA-N 2 0 306.450 2.673 20 0 DFADRP CN1CC[NH+](CCCC[NH2+]Cc2ncc(C(C)(C)C)s2)CC1 ZINC000582281401 430285869 /nfs/dbraw/zinc/28/58/69/430285869.db2.gz USOIPVOLOASLQB-UHFFFAOYSA-N 2 0 324.538 2.558 20 0 DFADRP O=C(Nc1ccc2c(c1)C[NH2+]C2)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000638257952 430287039 /nfs/dbraw/zinc/28/70/39/430287039.db2.gz DCLQMRZBBRUSJA-QGZVFWFLSA-N 2 0 321.424 2.750 20 0 DFADRP C[C@@H](CC(=O)Nc1cccc(Cl)c1)[NH2+]CC1CC[NH2+]CC1 ZINC000582481537 430302312 /nfs/dbraw/zinc/30/23/12/430302312.db2.gz RHJMHUFECRHLRV-LBPRGKRZSA-N 2 0 309.841 2.646 20 0 DFADRP CC(C)(O)C[NH+]1CCC([NH2+]C[C@H]2CCCc3ccccc32)CC1 ZINC000638326678 430305454 /nfs/dbraw/zinc/30/54/54/430305454.db2.gz OLCPJAYIPPUHGJ-QGZVFWFLSA-N 2 0 316.489 2.931 20 0 DFADRP C[C@@H](CC(=O)N(C)[C@H](c1ncc[nH]1)c1ccccc1)n1ccnc1 ZINC000568045133 430309321 /nfs/dbraw/zinc/30/93/21/430309321.db2.gz NPEJXOJQZBCCOR-YOEHRIQHSA-N 2 0 323.400 2.805 20 0 DFADRP Cc1ccc([C@H](CN[C@H]2CCC[C@H]([NH3+])C2)[NH+]2CCCC2)cc1 ZINC000568107502 430317900 /nfs/dbraw/zinc/31/79/00/430317900.db2.gz OXSJNEKHJYCUQE-FHWLQOOXSA-N 2 0 301.478 2.991 20 0 DFADRP C[C@@H]1CCC[N@H+](CCCC[NH2+]Cc2c[nH]c3ncncc23)C1 ZINC000638366558 430318122 /nfs/dbraw/zinc/31/81/22/430318122.db2.gz OIACAFJSSPKCHE-CQSZACIVSA-N 2 0 301.438 2.511 20 0 DFADRP COc1ncc(C[NH2+]CCCC[N@H+]2C[C@H](C)C[C@H](C)C2)s1 ZINC000638369369 430318592 /nfs/dbraw/zinc/31/85/92/430318592.db2.gz GNZFWUMZLMUPEQ-OKILXGFUSA-N 2 0 311.495 2.999 20 0 DFADRP CC[N@H+](C)C[C@H](O)CN[C@H](c1ccc(Cl)cc1)[C@H]1C[C@@H]1C ZINC000568166123 430321489 /nfs/dbraw/zinc/32/14/89/430321489.db2.gz DDGJUCIGXYJHTR-NKKGCODLSA-N 2 0 310.869 2.939 20 0 DFADRP CCN(C)C[C@@H](O)C[N@H+](CCc1ccc(F)cc1)C1CCCC1 ZINC000568169170 430324932 /nfs/dbraw/zinc/32/49/32/430324932.db2.gz CWUJPANUDFOFFN-LJQANCHMSA-N 2 0 322.468 2.925 20 0 DFADRP CC[NH+](CC)Cc1cccc(C[NH2+]C[C@H](OC)[C@@H]2CCOC2)c1 ZINC000638382104 430325617 /nfs/dbraw/zinc/32/56/17/430325617.db2.gz SCLYPSNNEFZGKU-MOPGFXCFSA-N 2 0 320.477 2.670 20 0 DFADRP CC[C@H](COCC(F)(F)F)[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000582766015 430331309 /nfs/dbraw/zinc/33/13/09/430331309.db2.gz SQHFNOJXHXXEII-CYBMUJFWSA-N 2 0 308.388 2.808 20 0 DFADRP C[C@@H](Cc1ccccc1F)[NH2+]C1CC[NH+](CC(C)(C)O)CC1 ZINC000638405452 430331682 /nfs/dbraw/zinc/33/16/82/430331682.db2.gz ZVKUHZSSRWNKQO-AWEZNQCLSA-N 2 0 308.441 2.582 20 0 DFADRP CCC[C@@H](C[NH2+]Cc1cccc(CN2CCO[C@H](C)C2)c1)OC ZINC000638421410 430337522 /nfs/dbraw/zinc/33/75/22/430337522.db2.gz VFKHAYDIFPIGEL-APWZRJJASA-N 2 0 320.477 2.812 20 0 DFADRP C[C@@H](CNC(=O)CC[N@H+](C)C1CCCCC1)[NH+]1CCC(C)CC1 ZINC000546015699 430342669 /nfs/dbraw/zinc/34/26/69/430342669.db2.gz VYQDKZLIRZPUHZ-KRWDZBQOSA-N 2 0 323.525 2.878 20 0 DFADRP C[C@@H]1CCC[N@H+](Cc2ccc(NC(=O)CCCC[NH3+])cc2)C1 ZINC000568997900 430414362 /nfs/dbraw/zinc/41/43/62/430414362.db2.gz SKAMUUQFIZZBSR-OAHLLOKOSA-N 2 0 303.450 2.986 20 0 DFADRP CC(C)CC[NH+]1CCC(C[NH2+]C2CC(n3cccn3)C2)CC1 ZINC000638721188 430416766 /nfs/dbraw/zinc/41/67/66/430416766.db2.gz JRDNYNPHMXKOOS-UHFFFAOYSA-N 2 0 304.482 2.934 20 0 DFADRP CC[NH+](CC)[C@@H](CNC(=O)C[C@@H](C)n1ccnc1)c1ccco1 ZINC000568398872 430355539 /nfs/dbraw/zinc/35/55/39/430355539.db2.gz QHAOAPRGAXPFDB-CABCVRRESA-N 2 0 318.421 2.627 20 0 DFADRP CCOc1ccc(CC[NH2+][C@@H]2CCC[C@H]([NH3+])C2)cc1OCC ZINC000568415144 430358853 /nfs/dbraw/zinc/35/88/53/430358853.db2.gz IOECGFFQRFWPOA-JKSUJKDBSA-N 2 0 306.450 2.886 20 0 DFADRP CC[C@@H](Cc1ccccc1)[NH2+]C1CC[NH+](CC(C)(C)O)CC1 ZINC000638507733 430361719 /nfs/dbraw/zinc/36/17/19/430361719.db2.gz LELSYJMEUGNROR-KRWDZBQOSA-N 2 0 304.478 2.833 20 0 DFADRP Cc1cccc(NC[C@@H]2CC[N@H+](Cc3cnc(C4CC4)nc3)C2)[nH+]1 ZINC000568483022 430361961 /nfs/dbraw/zinc/36/19/61/430361961.db2.gz XVINHBGDBFRLFI-HNNXBMFYSA-N 2 0 323.444 2.991 20 0 DFADRP CO[C@@H](C[NH2+]C[C@@H]1CC[N@H+](CCc2ccccc2)C1)C1CC1 ZINC000638521653 430367101 /nfs/dbraw/zinc/36/71/01/430367101.db2.gz NPEYHMQIANXLJW-HKUYNNGSSA-N 2 0 302.462 2.566 20 0 DFADRP CO[C@](C)(C[NH2+]C[C@H]1CC[N@H+](CCc2ccccc2)C1)C1CC1 ZINC000638521280 430367740 /nfs/dbraw/zinc/36/77/40/430367740.db2.gz FBPUQDMFUZGSMM-UYAOXDASSA-N 2 0 316.489 2.956 20 0 DFADRP C[NH+](C)CCOc1ccc(CC[NH2+]C[C@@H]2C[C@H]3C[C@H]3C2)cc1 ZINC000638540527 430371796 /nfs/dbraw/zinc/37/17/96/430371796.db2.gz ODCMZTWXDOOLCT-BCDXTJNWSA-N 2 0 302.462 2.805 20 0 DFADRP [NH3+]Cc1cccc2c1N(C(=O)C[C@H]1[NH2+]Cc3ccccc31)CCC2 ZINC000638542969 430372272 /nfs/dbraw/zinc/37/22/72/430372272.db2.gz PCJAQZPVZGHSNK-GOSISDBHSA-N 2 0 321.424 2.659 20 0 DFADRP CC(C)CC[NH+]1CCC(C[NH2+]Cc2c[nH]c3ncncc23)CC1 ZINC000638720563 430417383 /nfs/dbraw/zinc/41/73/83/430417383.db2.gz GLTCLXQBEQMATP-UHFFFAOYSA-N 2 0 315.465 2.757 20 0 DFADRP CC[NH+]1CCC(C[NH2+]C[C@H]2CCN(c3ccccc3)C2)CC1 ZINC000638565988 430377758 /nfs/dbraw/zinc/37/77/58/430377758.db2.gz XHMPYDJWYWCWPJ-GOSISDBHSA-N 2 0 301.478 2.834 20 0 DFADRP CCN(C(=O)[C@@H](C)N1CC[C@@]2(C1)CCC[NH2+]C2)c1ccccc1 ZINC000583263687 430379390 /nfs/dbraw/zinc/37/93/90/430379390.db2.gz NNKGLEKQWYGEEN-APWZRJJASA-N 2 0 315.461 2.504 20 0 DFADRP CCN(C(=O)[C@H](C)N1CC[C@@]2(C1)CCC[NH2+]C2)c1ccccc1 ZINC000583263688 430379927 /nfs/dbraw/zinc/37/99/27/430379927.db2.gz NNKGLEKQWYGEEN-LPHOPBHVSA-N 2 0 315.461 2.504 20 0 DFADRP CO[C@H](C[NH2+]CC[C@@H](C)[N@H+](C)Cc1ccccc1)[C@@H]1CCOC1 ZINC000638725667 430418705 /nfs/dbraw/zinc/41/87/05/430418705.db2.gz HEIRFMXWRIYNLX-BHIYHBOVSA-N 2 0 320.477 2.538 20 0 DFADRP CCCC[N@H+](C)C[C@H](C)NC(=O)Nc1cccc2c1CC[NH2+]C2 ZINC000583369815 430388672 /nfs/dbraw/zinc/38/86/72/430388672.db2.gz OPMSNLKCBNTFGL-AWEZNQCLSA-N 2 0 318.465 2.574 20 0 DFADRP OC[C@@H]1CCC[N@@H+]1CCCC[NH2+]C[C@H]1CCc2ccccc2C1 ZINC000638621321 430392343 /nfs/dbraw/zinc/39/23/43/430392343.db2.gz WEMUCGAJICFWRF-PXNSSMCTSA-N 2 0 316.489 2.618 20 0 DFADRP COc1nccc(C[NH2+]C2CCC([NH+]3CCC(C)CC3)CC2)n1 ZINC000568831684 430395660 /nfs/dbraw/zinc/39/56/60/430395660.db2.gz PZIBWYDDUNXODX-UHFFFAOYSA-N 2 0 318.465 2.618 20 0 DFADRP CCC[N@H+](CC)Cc1ccc(C(=O)N[C@@H]2CC[C@H](C)[NH2+]C2)cc1 ZINC000638644030 430398573 /nfs/dbraw/zinc/39/85/73/430398573.db2.gz NXQIGDKUVXFBTH-MAUKXSAKSA-N 2 0 317.477 2.789 20 0 DFADRP CC[N@H+](Cc1ccc(C(=O)N[C@H]2CC[C@H](C)[NH2+]C2)cc1)C(C)C ZINC000638645043 430398855 /nfs/dbraw/zinc/39/88/55/430398855.db2.gz TXQYJSHABOIAJQ-YJBOKZPZSA-N 2 0 317.477 2.787 20 0 DFADRP C[C@H]1CN(Cc2ccccn2)CC[C@@H]1[NH2+]Cc1ccc(C[NH3+])cc1 ZINC000583500629 430400420 /nfs/dbraw/zinc/40/04/20/430400420.db2.gz SDCCQPJUBULRIM-JXFKEZNVSA-N 2 0 324.472 2.541 20 0 DFADRP Cc1ccc([C@@H](C)C[NH2+]C2CC[NH+](CC(C)(C)O)CC2)cc1 ZINC000638659730 430403065 /nfs/dbraw/zinc/40/30/65/430403065.db2.gz JDNNESSROBBLKQ-INIZCTEOSA-N 2 0 304.478 2.923 20 0 DFADRP CC[C@H](C)[C@@H]1CCCC[N@@H+]1CC(=O)NC1CC[NH+](C(C)C)CC1 ZINC000583557712 430405925 /nfs/dbraw/zinc/40/59/25/430405925.db2.gz XFCYRFAJEHMFRH-WMZOPIPTSA-N 2 0 323.525 2.876 20 0 DFADRP CC[NH+]1CCC(CC[NH2+]C[C@@H](Cc2ccccc2)OC)CC1 ZINC000638693443 430410358 /nfs/dbraw/zinc/41/03/58/430410358.db2.gz SGHPNQOQVNIFRC-LJQANCHMSA-N 2 0 304.478 2.956 20 0 DFADRP C[NH+](C)CCc1ccc(NC(=O)[C@@H]2CC[N@@H+]2C2CCCC2)cc1 ZINC000585121146 430480817 /nfs/dbraw/zinc/48/08/17/430480817.db2.gz HCASHEYNICTVGW-SFHVURJKSA-N 2 0 315.461 2.746 20 0 DFADRP [NH3+][C@@H](CCC(=O)N1CCCCC[C@H]([NH3+])C1)CC1CCCCC1 ZINC000638815446 430442393 /nfs/dbraw/zinc/44/23/93/430442393.db2.gz HDQUQOCXWNIQTJ-IRXDYDNUSA-N 2 0 309.498 2.794 20 0 DFADRP CC(C)[N@@H+]1CCC[C@H](NC(=O)CC[NH+](C)C2CCCCC2)C1 ZINC000548064641 430443364 /nfs/dbraw/zinc/44/33/64/430443364.db2.gz RJLBKQMMOPVMBG-INIZCTEOSA-N 2 0 309.498 2.630 20 0 DFADRP C[C@@H](CN[C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1)[NH+](C)C ZINC000569339358 430443644 /nfs/dbraw/zinc/44/36/44/430443644.db2.gz DRUPVQYAXBTZEE-WMZOPIPTSA-N 2 0 301.478 2.723 20 0 DFADRP C[NH+]1CCN(c2cc[nH+]cc2NC2CC(OC(C)(C)C)C2)CC1 ZINC000548167543 430452577 /nfs/dbraw/zinc/45/25/77/430452577.db2.gz UKLMUGJOKWLAOB-UHFFFAOYSA-N 2 0 318.465 2.591 20 0 DFADRP c1cc(CCC[NH+]2CCC([C@@H]3CC[NH2+]C3)CC2)cc2c1OCC2 ZINC000584053662 430455779 /nfs/dbraw/zinc/45/57/79/430455779.db2.gz TZBHQAZQDYBIEF-LJQANCHMSA-N 2 0 314.473 2.876 20 0 DFADRP CCC1([NH+]2CCCC2)CCN(C(=O)[C@H]2[NH2+]CCCC2(C)C)CC1 ZINC000638862342 430459837 /nfs/dbraw/zinc/45/98/37/430459837.db2.gz SOBQNRJYUFKJLJ-MRXNPFEDSA-N 2 0 321.509 2.632 20 0 DFADRP Cc1ncncc1[C@H](C)[NH2+]Cc1ccc(OCC[NH+](C)C)cc1 ZINC000584182416 430467995 /nfs/dbraw/zinc/46/79/95/430467995.db2.gz AFICPLYHPHAGNK-AWEZNQCLSA-N 2 0 314.433 2.576 20 0 DFADRP C[N@H+](CCC(=O)N1CCC[C@H]2C[NH+](C)CC[C@@H]21)C1CCCCC1 ZINC000548393082 430468217 /nfs/dbraw/zinc/46/82/17/430468217.db2.gz KNXUMFBEIWQEPX-WMZOPIPTSA-N 2 0 321.509 2.584 20 0 DFADRP C[C@H](C[NH2+][C@H](c1ccccc1)C1CCC1)N1CC[NH+](C)CC1 ZINC000641776259 430470478 /nfs/dbraw/zinc/47/04/78/430470478.db2.gz VXRFBFYHSQPGJK-VQIMIIECSA-N 2 0 301.478 2.753 20 0 DFADRP c1cn2c(n1)CC[C@H](C[NH2+]Cc1c[nH]nc1-c1ccsc1)C2 ZINC000548424072 430473972 /nfs/dbraw/zinc/47/39/72/430473972.db2.gz NUOZQHRWNNEBKJ-GFCCVEGCSA-N 2 0 313.430 2.687 20 0 DFADRP CC1(C)[C@@H]([NH3+])C[C@@H]1[NH2+]CCc1nc(-c2cccc(Cl)c2)no1 ZINC000641803603 430478880 /nfs/dbraw/zinc/47/88/80/430478880.db2.gz UFPLKMWMWDELEU-STQMWFEESA-N 2 0 320.824 2.648 20 0 DFADRP CO[C@]1(C)CCC[N@H+](CCCC[NH+]2CCC[C@](C)(OC)C2)C1 ZINC000547770796 430420238 /nfs/dbraw/zinc/42/02/38/430420238.db2.gz HOSKMALGAQZFMB-HDICACEKSA-N 2 0 312.498 2.768 20 0 DFADRP CC(C)(C)c1ccnc(N2CCC[C@H](C[NH+]3CCOCC3)C2)c1 ZINC000641558200 430421300 /nfs/dbraw/zinc/42/13/00/430421300.db2.gz RDXREVPLEUDZIL-MRXNPFEDSA-N 2 0 317.477 2.928 20 0 DFADRP CCN(C[C@@H]1CCC[N@@H+]1CC)C(=O)[C@H](C)[NH+]1CCCCCC1 ZINC000547798652 430423401 /nfs/dbraw/zinc/42/34/01/430423401.db2.gz NVLNEGHLWSEEKW-IRXDYDNUSA-N 2 0 309.498 2.584 20 0 DFADRP C[NH+](C)[C@@H]1CCc2cc(NC(=O)C[C@@H]3CC[N@H+](C)C3)ccc21 ZINC000635997364 430433009 /nfs/dbraw/zinc/43/30/09/430433009.db2.gz UTTCSUOACMCFIR-SUMWQHHRSA-N 2 0 301.434 2.516 20 0 DFADRP C[C@@H]([NH2+]Cc1c[nH]c2ncncc12)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000638970673 430483533 /nfs/dbraw/zinc/48/35/33/430483533.db2.gz MVRSTXKNVQPFLV-ZIAGYGMSSA-N 2 0 313.449 2.652 20 0 DFADRP C[C@H]([NH2+]Cc1c[nH]c2ncncc12)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000638970672 430484075 /nfs/dbraw/zinc/48/40/75/430484075.db2.gz MVRSTXKNVQPFLV-UONOGXRCSA-N 2 0 313.449 2.652 20 0 DFADRP COc1cc(C[C@@H](C)[NH2+]CC[C@@H](C)[NH+]2CCCCC2)ccn1 ZINC000639036906 430497978 /nfs/dbraw/zinc/49/79/78/430497978.db2.gz DLEJZJQCRLBCRJ-HZPDHXFCSA-N 2 0 305.466 2.875 20 0 DFADRP CCO[C@@H]1C[C@H]([NH2+]CC[C@H](C)[NH+]2CCCCC2)[C@]12CCCO2 ZINC000639037233 430499589 /nfs/dbraw/zinc/49/95/89/430499589.db2.gz HAZVEIFVRFFSRX-WNRNVDISSA-N 2 0 310.482 2.567 20 0 DFADRP Cn1nccc1[C@H]1CCC[C@@H]([NH2+]C[C@H]2CC[C@H](C[NH3+])CC2)C1 ZINC000570077874 430511694 /nfs/dbraw/zinc/51/16/94/430511694.db2.gz UKQUKFMIXACYPQ-LUKYLMHMSA-N 2 0 304.482 2.801 20 0 DFADRP Cc1cccc(NC(=O)C[C@H](C)[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000642630960 430522286 /nfs/dbraw/zinc/52/22/86/430522286.db2.gz SHQHVKPJJNYCOC-RYQLBKOJSA-N 2 0 315.461 2.929 20 0 DFADRP [NH3+][C@@H]1CCC[C@H]([NH2+]CC2(c3ccc(F)cc3)CCOCC2)C1 ZINC000570411069 430541803 /nfs/dbraw/zinc/54/18/03/430541803.db2.gz TWAYQFLYGXXVHM-SJORKVTESA-N 2 0 306.425 2.733 20 0 DFADRP C[C@@H]1CCN(CCC[NH+]2CCCC2)C[C@H]1C(=O)OC(C)(C)C ZINC000570329526 430533576 /nfs/dbraw/zinc/53/35/76/430533576.db2.gz QFQAQXDHNMZWDP-HZPDHXFCSA-N 2 0 310.482 2.772 20 0 DFADRP CC(C)[N@@H+]1CC[C@H](CNCc2cnc([C@H]3CCCO3)s2)C1 ZINC000549867869 430534459 /nfs/dbraw/zinc/53/44/59/430534459.db2.gz YRQUQFJDMLIOFF-UKRRQHHQSA-N 2 0 309.479 2.815 20 0 DFADRP COc1ccc([C@H](NC[C@@H]2CCC[C@@H]([NH3+])C2)[C@H]2CCC[NH2+]2)cc1 ZINC000570389247 430539515 /nfs/dbraw/zinc/53/95/15/430539515.db2.gz ZXBKADVNBMAUOI-OPNNQBFTSA-N 2 0 317.477 2.595 20 0 DFADRP CN(CCC[N@H+](C)Cc1cccc(F)c1N)Cc1ccco1 ZINC000639166977 430550664 /nfs/dbraw/zinc/55/06/64/430550664.db2.gz YGFURIJPJZRJMF-UHFFFAOYSA-N 2 0 305.397 2.955 20 0 DFADRP C[C@H]([NH2+]CC(C)(C)c1ccc2c(c1)OCO2)[C@@H]1CCC[NH2+]C1 ZINC000570792551 430576315 /nfs/dbraw/zinc/57/63/15/430576315.db2.gz KCOZRLAXSSLFMN-UONOGXRCSA-N 2 0 304.434 2.671 20 0 DFADRP COc1ccc2[nH]cc(CC[NH2+][C@@H]3CC[NH2+]CC[C@@H]3C)c2c1 ZINC000643453907 430601927 /nfs/dbraw/zinc/60/19/27/430601927.db2.gz HACJMPCPGGYYFE-SUMWQHHRSA-N 2 0 301.434 2.697 20 0 DFADRP COc1cccc2c1OC[C@H]([NH2+][C@@H](C)C[C@@H]1CCCCC[NH2+]1)C2 ZINC000643452047 430602036 /nfs/dbraw/zinc/60/20/36/430602036.db2.gz RCRBGWIRNSQDOY-BHYGNILZSA-N 2 0 318.461 2.899 20 0 DFADRP CC[C@@H]([NH2+]CCc1c[nH]c2ccc(OC)cc12)[C@@H]1CCC[NH2+]1 ZINC000643453433 430602052 /nfs/dbraw/zinc/60/20/52/430602052.db2.gz AZIKZBGYZIOCBE-AEFFLSMTSA-N 2 0 301.434 2.839 20 0 DFADRP CC(C)=CCC[C@@H](C)[NH2+]CC(=O)NCC[NH+]1CCCCCC1 ZINC000552279007 430592610 /nfs/dbraw/zinc/59/26/10/430592610.db2.gz YYCUQOBAQYBDJW-QGZVFWFLSA-N 2 0 309.498 2.703 20 0 DFADRP CC(C)[N@@H+]1CC[C@H](C[NH2+]Cc2ccccc2-c2ccnn2C)C1 ZINC000552244104 430593408 /nfs/dbraw/zinc/59/34/08/430593408.db2.gz VFKMEXGVRZCZNG-MRXNPFEDSA-N 2 0 312.461 2.907 20 0 DFADRP CC[NH+]1CCC(N2CCC[N@H+](CC3(C(C)C)CC3)CC2)CC1 ZINC000639274975 430596588 /nfs/dbraw/zinc/59/65/88/430596588.db2.gz GRAPTQUSXCJSSN-UHFFFAOYSA-N 2 0 307.526 2.915 20 0 DFADRP CC(C)CC[C@H](O)C[NH2+]C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000571040293 430598693 /nfs/dbraw/zinc/59/86/93/430598693.db2.gz AADNJACWYHGNJR-MOPGFXCFSA-N 2 0 304.478 2.895 20 0 DFADRP CC[C@@H]1CN(c2cc[nH+]c3cc(F)c(OC)cc32)CC[C@@H]1[NH3+] ZINC000643033073 430542834 /nfs/dbraw/zinc/54/28/34/430542834.db2.gz KVTPJZUSWSWFDU-RISCZKNCSA-N 2 0 303.381 2.946 20 0 DFADRP C[NH+]1CCC(Oc2ccc(C[NH2+]CCC[C@H]3CCO3)cc2)CC1 ZINC000639147398 430543726 /nfs/dbraw/zinc/54/37/26/430543726.db2.gz SHESUGTZCRURSJ-KRWDZBQOSA-N 2 0 318.461 2.818 20 0 DFADRP COc1ccc(COCC[N@@H+]2CCCC[C@H]2[C@H]2CC[NH2+]C2)cc1 ZINC000643064215 430547144 /nfs/dbraw/zinc/54/71/44/430547144.db2.gz XLPGSNNYAFOHBL-HKUYNNGSSA-N 2 0 318.461 2.676 20 0 DFADRP CC[NH+](CC)Cc1ccc(C(=O)NCC[N@@H+]2CC[C@H](C)C2)cc1 ZINC000554800615 430652703 /nfs/dbraw/zinc/65/27/03/430652703.db2.gz WVMHTUZHTZXUJE-INIZCTEOSA-N 2 0 317.477 2.600 20 0 DFADRP C[C@@H]([NH2+]C[C@H]1CCN(c2ccc(F)c(F)c2)C1)[C@H]1CCC[NH2+]1 ZINC000643453195 430602613 /nfs/dbraw/zinc/60/26/13/430602613.db2.gz MREOKYKEGOUSSR-PBFPGSCMSA-N 2 0 309.404 2.521 20 0 DFADRP C[C@H]([NH2+][C@@H]1CCN(c2ccc(F)cc2F)C1)[C@H]1CCC[NH2+]C1 ZINC000643462966 430604122 /nfs/dbraw/zinc/60/41/22/430604122.db2.gz UQHFBPUKQPDTNG-KCQAQPDRSA-N 2 0 309.404 2.521 20 0 DFADRP c1ccc(C[N@H+]2CCC[C@@H](CNC3C[C@H]4CC[C@@H](C3)[NH2+]4)C2)cc1 ZINC000643457599 430604153 /nfs/dbraw/zinc/60/41/53/430604153.db2.gz PNSNJOIUXVYAEU-GURQWTFNSA-N 2 0 313.489 2.771 20 0 DFADRP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+][C@@H]1CCN(c2ccc(F)cc2F)C1 ZINC000643462972 430604551 /nfs/dbraw/zinc/60/45/51/430604551.db2.gz VCQTTYUKCQZEIU-BMFZPTHFSA-N 2 0 309.404 2.793 20 0 DFADRP Cc1ccc(CC[NH2+]C2CC[NH+](CC(C)(C)O)CC2)cc1C ZINC000639309333 430604777 /nfs/dbraw/zinc/60/47/77/430604777.db2.gz LJECDRGZYKJOOZ-UHFFFAOYSA-N 2 0 304.478 2.671 20 0 DFADRP CC(C)[N@@H+]1CC[C@@H](CN[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C)C1 ZINC000571127466 430605232 /nfs/dbraw/zinc/60/52/32/430605232.db2.gz XMJRSBRMLNWYDZ-HOJAQTOUSA-N 2 0 315.505 2.827 20 0 DFADRP Cc1cccc(NC(=O)C[C@H](C)[NH2+]CC2CC[NH2+]CC2)c1C ZINC000643497756 430608814 /nfs/dbraw/zinc/60/88/14/430608814.db2.gz CWLSSPJBDDTNJH-AWEZNQCLSA-N 2 0 303.450 2.610 20 0 DFADRP C[C@@H]1[C@@H](NC[C@@H]2CCCC[NH2+]2)CCC[N@@H+]1Cc1ccccc1 ZINC000643502240 430610118 /nfs/dbraw/zinc/61/01/18/430610118.db2.gz AVAVLHIHALQQFA-NEWSRXKRSA-N 2 0 301.478 2.771 20 0 DFADRP CC[NH+](CC)[C@H](CNC(=O)C[N@@H+]1CC[C@H](C)C1)c1ccccc1 ZINC000553177850 430610235 /nfs/dbraw/zinc/61/02/35/430610235.db2.gz SODROYCBFTWMAN-FUHWJXTLSA-N 2 0 317.477 2.528 20 0 DFADRP [NH3+]C[C@H]1CCC[C@@H]1[NH2+]C1CCC2(CC1)c1ccccc1NC2=O ZINC000643512225 430611651 /nfs/dbraw/zinc/61/16/51/430611651.db2.gz CSJWEXVGIZSOGP-VSPZMHAVSA-N 2 0 313.445 2.536 20 0 DFADRP Cc1cccc(NC(=O)C[C@@H](C)[NH2+]CC[C@@H]2CCC[NH2+]C2)c1 ZINC000643510439 430611818 /nfs/dbraw/zinc/61/18/18/430611818.db2.gz VWDKNJLRSLPXNV-CVEARBPZSA-N 2 0 303.450 2.691 20 0 DFADRP c1ccc(C[N@H+]2C[C@@H]3CCC[C@@H](NCC[NH2+]C4CC4)[C@@H]3C2)cc1 ZINC000643507514 430612003 /nfs/dbraw/zinc/61/20/03/430612003.db2.gz HBLFZTJBEOUJHF-DFQSSKMNSA-N 2 0 313.489 2.629 20 0 DFADRP COc1ccc2c(c1)[C@@H]([NH2+][C@@H]1CC13CC[NH2+]CC3)CCCO2 ZINC000643534935 430612953 /nfs/dbraw/zinc/61/29/53/430612953.db2.gz FZOUSULWRAGPKF-DOTOQJQBSA-N 2 0 302.418 2.641 20 0 DFADRP C[C@@H]([NH2+][C@H]1CC12CC[NH2+]CC2)c1ccc2c(c1)OCCCO2 ZINC000643534577 430613001 /nfs/dbraw/zinc/61/30/01/430613001.db2.gz YETOLILBMDTYBI-DYVFJYSZSA-N 2 0 302.418 2.641 20 0 DFADRP CO[C@@H](C[NH2+]CC1CC[NH+](CC2CC2)CC1)Cc1ccccc1 ZINC000639334716 430613342 /nfs/dbraw/zinc/61/33/42/430613342.db2.gz JDLYWJWSIYWJOA-HXUWFJFHSA-N 2 0 316.489 2.956 20 0 DFADRP CC1(C)[C@H]([NH2+][C@H]2CC23CC[NH2+]CC3)C[C@@H]1Oc1ccccc1 ZINC000643535564 430614039 /nfs/dbraw/zinc/61/40/39/430614039.db2.gz GWHJBOVIBURBQL-IKGGRYGDSA-N 2 0 300.446 2.964 20 0 DFADRP C[C@H]([NH2+]C[C@@H]1CCC[C@H]([NH3+])C1)c1cccc(N2CCOCC2)c1 ZINC000643540964 430614466 /nfs/dbraw/zinc/61/44/66/430614466.db2.gz IXOJHJKNKRLBFB-JZXOWHBKSA-N 2 0 317.477 2.691 20 0 DFADRP Cn1ccc([C@H]([NH2+][C@H]2CC[C@H](C[NH3+])C2)c2ccc(Cl)cc2)n1 ZINC000643542740 430615362 /nfs/dbraw/zinc/61/53/62/430615362.db2.gz PDUVGIINXVBVDZ-YLQAJVPDSA-N 2 0 318.852 2.880 20 0 DFADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C[NH2+]CCC[C@H]1CCO1 ZINC000639359631 430620399 /nfs/dbraw/zinc/62/03/99/430620399.db2.gz OLSHRRJRQOJZBL-QRQLOZEOSA-N 2 0 302.462 2.913 20 0 DFADRP C[C@@H](CC[NH2+][C@@H]1CCC[C@@H]1N1CC[C@@H](O)C1)c1ccccc1 ZINC000639370986 430623680 /nfs/dbraw/zinc/62/36/80/430623680.db2.gz FMDQHTMEHWYWKJ-AITUJVMLSA-N 2 0 302.462 2.758 20 0 DFADRP O[C@H]1CCN([C@@H]2CCC[C@@H]2[NH2+]Cc2cccc(C3CC3)c2)C1 ZINC000639374448 430624761 /nfs/dbraw/zinc/62/47/61/430624761.db2.gz ZVSFAQVTQWZEMD-GBESFXJTSA-N 2 0 300.446 2.641 20 0 DFADRP CCC1([NH+]2CCCC2)CC[NH+]([C@H](C)C(C)(C)n2cncn2)CC1 ZINC000639376097 430626084 /nfs/dbraw/zinc/62/60/84/430626084.db2.gz TWCRWIQKGVSNQL-MRXNPFEDSA-N 2 0 319.497 2.742 20 0 DFADRP Cc1c(Cl)cccc1NC(=O)CC[NH2+][C@@H]1CC[NH2+]CC[C@H]1C ZINC000571514209 430632648 /nfs/dbraw/zinc/63/26/48/430632648.db2.gz AEBPMFVEQXSSQZ-IUODEOHRSA-N 2 0 323.868 2.955 20 0 DFADRP [NH3+]C1(CNC(=O)N2CCCC[C@@H]2c2ncc[nH]2)CCCCCC1 ZINC000571507547 430632976 /nfs/dbraw/zinc/63/29/76/430632976.db2.gz HKUKJXJGNLXNKY-CQSZACIVSA-N 2 0 319.453 2.698 20 0 DFADRP Clc1cc(C[NH+]2CCC([C@@H]3CC[NH2+]C3)CC2)cc2c1OCO2 ZINC000571562811 430636360 /nfs/dbraw/zinc/63/63/60/430636360.db2.gz WWXQQZUSYXCWJF-CQSZACIVSA-N 2 0 322.836 2.890 20 0 DFADRP CCCC[N@H+](C)CC1CC[NH+]([C@H]2CCN(C3CCC3)C2=O)CC1 ZINC000639454894 430643181 /nfs/dbraw/zinc/64/31/81/430643181.db2.gz JRAUKIFZXTYFMO-SFHVURJKSA-N 2 0 321.509 2.584 20 0 DFADRP CCC[C@H](O)C[NH2+][C@@H]1CCN(Cc2ccccc2)C2(CC2)C1 ZINC000571641151 430643362 /nfs/dbraw/zinc/64/33/62/430643362.db2.gz DJMYSNZWSFERHB-MSOLQXFVSA-N 2 0 302.462 2.934 20 0 DFADRP CC1CC[NH+](C[C@H]2CCC[N@H+](Cc3cc[nH]c(=O)c3)C2)CC1 ZINC000639466773 430647256 /nfs/dbraw/zinc/64/72/56/430647256.db2.gz OLPXUUFPXANQEV-QGZVFWFLSA-N 2 0 303.450 2.731 20 0 DFADRP C[N@@H+](Cc1ccccc1)CC1CC[NH+](CCc2cnccn2)CC1 ZINC000639471574 430648304 /nfs/dbraw/zinc/64/83/04/430648304.db2.gz CUEURQSECVQPOT-UHFFFAOYSA-N 2 0 324.472 2.863 20 0 DFADRP C[C@H]([NH2+]CCNc1ncc(Cl)cc1Cl)[C@@H]1CCC[NH2+]C1 ZINC000572234310 430677519 /nfs/dbraw/zinc/67/75/19/430677519.db2.gz RCNLGRSWCHFOAJ-WDEREUQCSA-N 2 0 317.264 2.778 20 0 DFADRP Cc1ccc(F)cc1C[N@@H+]1CCC[C@H](N2CCOCC2)CC1 ZINC000556085713 430677795 /nfs/dbraw/zinc/67/77/95/430677795.db2.gz SWTTVVYTUBRPJP-SFHVURJKSA-N 2 0 306.425 2.821 20 0 DFADRP C[C@@H]1C[C@H](C)C[N@@H+](CCC[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)C1 ZINC000121246578 278003617 /nfs/dbraw/zinc/00/36/17/278003617.db2.gz OZWVFRDXBJXSTR-RZFLPCETSA-N 2 0 306.494 2.902 20 0 DFADRP COc1cncc(/C=C/CC[N@H+](C)C[C@@H]2CCC[NH+](C)C2)c1 ZINC000572359505 430683474 /nfs/dbraw/zinc/68/34/74/430683474.db2.gz KWYXPHRYFRBQLU-PFWMLDTASA-N 2 0 303.450 2.767 20 0 DFADRP C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)Cc1cnc(-c2ccncc2)s1 ZINC000572409200 430686465 /nfs/dbraw/zinc/68/64/65/430686465.db2.gz CDTXEMALVIVJGE-CJNGLKHVSA-N 2 0 316.474 2.977 20 0 DFADRP C[NH+](C)CCc1ccc(C[NH2+]C[C@H](O)CC2CCCC2)cc1 ZINC000572476185 430687743 /nfs/dbraw/zinc/68/77/43/430687743.db2.gz LDOYFEFQIYTCBF-LJQANCHMSA-N 2 0 304.478 2.822 20 0 DFADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)CCCC[NH+](C)C)C1 ZINC000572506783 430688870 /nfs/dbraw/zinc/68/88/70/430688870.db2.gz NNBVTUSAEJSGAV-CALCHBBNSA-N 2 0 311.514 2.593 20 0 DFADRP OC[C@H](C[NH2+]C1CC[NH+](CC2CC2)CC1)c1ccccc1Cl ZINC000572551790 430690465 /nfs/dbraw/zinc/69/04/65/430690465.db2.gz LVNRLHHHBNUXIK-HNNXBMFYSA-N 2 0 322.880 2.880 20 0 DFADRP C[C@H](NC(=O)[C@H](C)[N@H+](C)Cc1ccccc1)C(C)(C)C[NH+](C)C ZINC000359282680 278209015 /nfs/dbraw/zinc/20/90/15/278209015.db2.gz SVMWEHKUXGBFBS-HOTGVXAUSA-N 2 0 319.493 2.599 20 0 DFADRP Fc1ccc(N2CC[C@@H]([NH2+]C3CC[NH+](CC4CC4)CC3)C2)cc1 ZINC000556881857 430695258 /nfs/dbraw/zinc/69/52/58/430695258.db2.gz MDAIKWYXSYCPOQ-GOSISDBHSA-N 2 0 317.452 2.868 20 0 DFADRP CCOC(=O)[C@H](c1ccccc1)N1CC[C@@H](c2nccn2C)C1 ZINC000572658673 430693456 /nfs/dbraw/zinc/69/34/56/430693456.db2.gz DGPJDAJDCQIAFK-CVEARBPZSA-N 2 0 313.401 2.514 20 0 DFADRP C[C@H]1CCCC[N@@H+]1CCC[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000298251238 278332017 /nfs/dbraw/zinc/33/20/17/278332017.db2.gz DLERDKDTASTHLE-KRWDZBQOSA-N 3 0 316.493 2.905 20 0 DFADRP C[C@H]1CCCC[N@@H+]1CCC[NH2+]C1CCN(CC(F)(F)F)CC1 ZINC000237504834 278332299 /nfs/dbraw/zinc/33/22/99/278332299.db2.gz VHSHEMPFMLPUSM-AWEZNQCLSA-N 2 0 321.431 2.867 20 0 DFADRP C[C@@H]([NH2+][C@@H](C)CCN1CC[NH+](C)CC1)c1ccc(F)cc1F ZINC000186580879 278362673 /nfs/dbraw/zinc/36/26/73/278362673.db2.gz MSQQXOUTZNNLAZ-UONOGXRCSA-N 2 0 311.420 2.641 20 0 DFADRP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)CCCc2ccsc2)CC1 ZINC000360909171 278395000 /nfs/dbraw/zinc/39/50/00/278395000.db2.gz DBXWIADXJXEWRM-OAHLLOKOSA-N 2 0 310.507 2.705 20 0 DFADRP Cc1cc2ccccc2nc1N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000664598646 430703306 /nfs/dbraw/zinc/70/33/06/430703306.db2.gz HVYRHGGEPGMGHY-QGZVFWFLSA-N 2 0 311.429 2.579 20 0 DFADRP CCCc1ccc(C[NH2+]C2CCN([C@H]3CCOC3)CC2)cc1 ZINC000657752885 430725651 /nfs/dbraw/zinc/72/56/51/430725651.db2.gz WDHDJFLAWUKUEI-IBGZPJMESA-N 2 0 302.462 2.982 20 0 DFADRP C[N@@H+]1CCCN(CCC[NH2+]Cc2ccc3c(c2)CCCC3)CC1 ZINC000644382413 430726471 /nfs/dbraw/zinc/72/64/71/430726471.db2.gz YJXWPWHEWITIAM-UHFFFAOYSA-N 2 0 315.505 2.683 20 0 DFADRP O=C(CC[NH2+]C1CC[NH+](C2CCC2)CC1)Nc1ccccc1F ZINC000644663833 430782452 /nfs/dbraw/zinc/78/24/52/430782452.db2.gz VUCKYXPOAQLDDY-UHFFFAOYSA-N 2 0 319.424 2.761 20 0 DFADRP c1n[nH]cc1C[NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CC12CCC2 ZINC000657772077 430733542 /nfs/dbraw/zinc/73/35/42/430733542.db2.gz RCSKKNLJDKZKFI-GOSISDBHSA-N 2 0 310.445 2.802 20 0 DFADRP CC[C@@H]1C[C@@H]([NH2+]Cc2cccc(OCC[NH+](C)C)c2)CCO1 ZINC000648427718 430782966 /nfs/dbraw/zinc/78/29/66/430782966.db2.gz TUDYAEPSMOMTLW-DLBZAZTESA-N 2 0 306.450 2.674 20 0 DFADRP c1ccc(N2CC[C@@H]([NH2+]CC3CC[NH+](CC4CC4)CC3)C2)cc1 ZINC000657812891 430744431 /nfs/dbraw/zinc/74/44/31/430744431.db2.gz JWGRVLXEFWRBJX-LJQANCHMSA-N 2 0 313.489 2.977 20 0 DFADRP CC[NH+]1CCC(C[NH2+][C@@H](c2nnc[nH]2)C2CCCCC2)CC1 ZINC000644538133 430748017 /nfs/dbraw/zinc/74/80/17/430748017.db2.gz SGDGATSBNUBFKB-MRXNPFEDSA-N 2 0 305.470 2.748 20 0 DFADRP C[C@H](Cc1cnccn1)[NH2+][C@@H](Cc1nccn1C)c1ccccc1 ZINC000651238853 430748166 /nfs/dbraw/zinc/74/81/66/430748166.db2.gz MUHQVRAHNBQQQD-QAPCUYQASA-N 2 0 321.428 2.715 20 0 DFADRP CC(C)[C@H](C[NH2+][C@@H]1[C@@H]2CCC[C@@H]2C1(C)C)N1CC[NH+](C)CC1 ZINC000657831602 430749380 /nfs/dbraw/zinc/74/93/80/430749380.db2.gz CNXOVIRPAMXWNJ-VSZNYVQBSA-N 2 0 307.526 2.673 20 0 DFADRP CCCC[NH+]1CCC([NH2+]C[C@@H](O)COc2ccc(C)cc2)CC1 ZINC000644557671 430753064 /nfs/dbraw/zinc/75/30/64/430753064.db2.gz CDMIWHAQLJZCLB-GOSISDBHSA-N 2 0 320.477 2.589 20 0 DFADRP C[C@@H]([NH2+]CCC(=O)Nc1cccc(Cl)c1)C1CC[NH+](C)CC1 ZINC000644563130 430754835 /nfs/dbraw/zinc/75/48/35/430754835.db2.gz NEYDJLLBBUNGMB-CYBMUJFWSA-N 2 0 323.868 2.989 20 0 DFADRP C[C@H]([NH2+]CC1CC[NH+](CCN(C)C)CC1)C(C)(C)C(F)F ZINC000657872793 430757364 /nfs/dbraw/zinc/75/73/64/430757364.db2.gz SHHMXBWKCYKJSL-ZDUSSCGKSA-N 2 0 305.457 2.529 20 0 DFADRP CC(C)Cc1ccc([C@H](C)[C@@H](C)[NH2+]C[C@H](O)CN(C)C)cc1 ZINC000657875474 430758427 /nfs/dbraw/zinc/75/84/27/430758427.db2.gz KQBSNWRZXHQLCX-MDZRGWNJSA-N 2 0 306.494 2.889 20 0 DFADRP COC[C@H](CC1CCOCC1)[NH2+]C[C@H]1CCCN1CC(C)C ZINC000657932176 430771441 /nfs/dbraw/zinc/77/14/41/430771441.db2.gz KGKFEIGZFGMQNT-ZWKOTPCHSA-N 2 0 312.498 2.528 20 0 DFADRP O[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+][C@@H]2CCCSCC2)CC1 ZINC000657930522 430771482 /nfs/dbraw/zinc/77/14/82/430771482.db2.gz XXKNNWBDTWOFDI-HYVNUMGLSA-N 2 0 312.523 2.630 20 0 DFADRP O[C@@H](C[NH2+]CC1CCN(c2cc[nH+]cc2)CC1)C1CCCCC1 ZINC000644618179 430771903 /nfs/dbraw/zinc/77/19/03/430771903.db2.gz NDZSYDXMCVJSKV-IBGZPJMESA-N 2 0 317.477 2.829 20 0 DFADRP O[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+][C@H]2CCCSCC2)CC1 ZINC000657930523 430772090 /nfs/dbraw/zinc/77/20/90/430772090.db2.gz XXKNNWBDTWOFDI-USXIJHARSA-N 2 0 312.523 2.630 20 0 DFADRP CC(C)(C[NH2+]CCC(=O)Nc1ccccc1F)C[NH+]1CCCC1 ZINC000644632066 430775706 /nfs/dbraw/zinc/77/57/06/430775706.db2.gz VBUJAAGCSRBKOP-UHFFFAOYSA-N 2 0 321.440 2.866 20 0 DFADRP C[C@@H](Cc1ccoc1)[NH2+]Cc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1 ZINC000658139294 430824025 /nfs/dbraw/zinc/82/40/25/430824025.db2.gz QMCCFDTWXAFWQY-HNAYVOBHSA-N 2 0 314.429 2.567 20 0 DFADRP C[C@H]([NH2+]CC1CC[NH+](Cc2ccncc2)CC1)[C@H]1CCCOC1 ZINC000658167291 430834129 /nfs/dbraw/zinc/83/41/29/430834129.db2.gz RKIBHPIWQWNYJW-LPHOPBHVSA-N 2 0 317.477 2.698 20 0 DFADRP C[N@H+](CCc1ccccc1)[C@@H]1CCN(CC[NH+]2CCCCC2)C1 ZINC000661640989 430788322 /nfs/dbraw/zinc/78/83/22/430788322.db2.gz CHYNISWCHUWDHV-HXUWFJFHSA-N 2 0 315.505 2.721 20 0 DFADRP Cc1cc(C)cc(OC[C@@H](O)C[NH2+]C2CCC([NH+](C)C)CC2)c1 ZINC000644675099 430788468 /nfs/dbraw/zinc/78/84/68/430788468.db2.gz JHPTUNVTBCKKPC-ABHNRTSZSA-N 2 0 320.477 2.506 20 0 DFADRP COC1(C[C@H](C)[NH2+]CC2CC[NH+](C3CCOCC3)CC2)CCC1 ZINC000658069803 430798092 /nfs/dbraw/zinc/79/80/92/430798092.db2.gz IJPARUFQPNMMHL-INIZCTEOSA-N 2 0 324.509 2.815 20 0 DFADRP CCO[C@@H]1C[C@@H]([NH2+]CC2CC[NH+](C3CCOCC3)CC2)C1(C)C ZINC000658066924 430798561 /nfs/dbraw/zinc/79/85/61/430798561.db2.gz GXUUJZLSDCLLNY-QZTJIDSGSA-N 2 0 324.509 2.671 20 0 DFADRP CO[C@H](C[NH2+]C1CC[NH+]([C@@H]2CCC[C@H](C)C2)CC1)[C@H]1CCOC1 ZINC000658074552 430799334 /nfs/dbraw/zinc/79/93/34/430799334.db2.gz UDCPYECLWKNKGN-RNIPGJKVSA-N 2 0 324.509 2.671 20 0 DFADRP CO[C@H](C[NH2+]C1CC[NH+]([C@@H]2CCC[C@@H](C)C2)CC1)[C@@H]1CCOC1 ZINC000658074550 430799389 /nfs/dbraw/zinc/79/93/89/430799389.db2.gz UDCPYECLWKNKGN-PSBWJHGTSA-N 2 0 324.509 2.671 20 0 DFADRP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+]CC(C)(C)CO)CC1 ZINC000648485115 430803895 /nfs/dbraw/zinc/80/38/95/430803895.db2.gz BHPNLAPNIWOGPK-MRXNPFEDSA-N 2 0 304.478 2.690 20 0 DFADRP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+][C@H]2CCC[C@@H](O)C2)CC1 ZINC000648496335 430807757 /nfs/dbraw/zinc/80/77/57/430807757.db2.gz MFEFVSYGCSVZHH-LSTHTHJFSA-N 2 0 316.489 2.975 20 0 DFADRP Cn1cc(C[C@@H]2CCC[C@H]2[NH2+]C2CC[NH+](CC3CC3)CC2)cn1 ZINC000658231708 430848267 /nfs/dbraw/zinc/84/82/67/430848267.db2.gz CKPHOQFRRKQQCF-PKOBYXMFSA-N 2 0 316.493 2.595 20 0 DFADRP C[NH+](C)Cc1cc(-c2cncc([C@@H]3OCC[C@H]3[NH3+])c2)ccc1F ZINC000665199693 430853728 /nfs/dbraw/zinc/85/37/28/430853728.db2.gz TYWMCHFVNGNNIC-MSOLQXFVSA-N 2 0 315.392 2.738 20 0 DFADRP C[C@H]([NH2+]C[C@@H](CO)CC1CC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000658257287 430854699 /nfs/dbraw/zinc/85/46/99/430854699.db2.gz ZEYYRJNDCADNNY-VDGAXYAQSA-N 2 0 316.489 2.895 20 0 DFADRP Cc1cncc(CC[NH2+]C2CC[NH+]([C@@H]3CCCC[C@H]3C)CC2)n1 ZINC000658263273 430856901 /nfs/dbraw/zinc/85/69/01/430856901.db2.gz ZSCUOFUDDSLRAI-DNVCBOLYSA-N 2 0 316.493 2.960 20 0 DFADRP c1cc2c(c(C[NH2+]C3CC[NH+](C[C@H]4CCOC4)CC3)c1)CCC2 ZINC000651719110 430857604 /nfs/dbraw/zinc/85/76/04/430857604.db2.gz JQMOKUHGWBGJRK-MRXNPFEDSA-N 2 0 314.473 2.766 20 0 DFADRP C[C@H]([NH2+]C[C@H]1CCN(c2ccccc2Cl)C1)[C@H]1CCC[NH2+]1 ZINC000665233271 430863991 /nfs/dbraw/zinc/86/39/91/430863991.db2.gz CTCZWXVLBZWPOU-SQWLQELKSA-N 2 0 307.869 2.896 20 0 DFADRP [NH3+]C1(C[NH2+]C2CCC3(CC2)c2ccccc2NC3=O)CCCC1 ZINC000665248864 430867884 /nfs/dbraw/zinc/86/78/84/430867884.db2.gz DRJVBTARVBFLDM-UHFFFAOYSA-N 2 0 313.445 2.680 20 0 DFADRP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NCC1([NH3+])CCCC1 ZINC000665249576 430868342 /nfs/dbraw/zinc/86/83/42/430868342.db2.gz TTZZWCCVNZYFBY-FUHWJXTLSA-N 2 0 301.478 2.758 20 0 DFADRP COc1ccc(-c2cc(C[NH2+]C3CCC(C[NH3+])CC3)on2)cc1 ZINC000665261588 430874164 /nfs/dbraw/zinc/87/41/64/430874164.db2.gz HGXSGOSRTYPXPF-UHFFFAOYSA-N 2 0 315.417 2.957 20 0 DFADRP COc1ccc(-c2cc(C[NH2+]C3CCC([NH3+])CC3)on2)cc1 ZINC000665262348 430875781 /nfs/dbraw/zinc/87/57/81/430875781.db2.gz ZAFHCWSVEVSIBX-UHFFFAOYSA-N 2 0 301.390 2.710 20 0 DFADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+][C@@H]1COc2cc(F)ccc2C1 ZINC000665266530 430877537 /nfs/dbraw/zinc/87/75/37/430877537.db2.gz DMSJUUXMDFBNMR-LRDDRELGSA-N 2 0 315.392 2.642 20 0 DFADRP CNC(=O)CC1(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)CCCCC1 ZINC000665275381 430879054 /nfs/dbraw/zinc/87/90/54/430879054.db2.gz JKMABRFZQGZYJZ-YESZJQIVSA-N 2 0 321.509 2.583 20 0 DFADRP C[N@@H+]1CC[C@H]([NH2+]CC2CC[NH+](CC3CC3)CC2)[C@H]2CCC[C@@H]21 ZINC000658351963 430882789 /nfs/dbraw/zinc/88/27/89/430882789.db2.gz BQXPIETYQHEYHX-QYZOEREBSA-N 3 0 305.510 2.571 20 0 DFADRP OCC1CC([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]3CCC[C@H]32)C1 ZINC000658353769 430882902 /nfs/dbraw/zinc/88/29/02/430882902.db2.gz RSCNSVMIJHYRPS-GNWGEKMJSA-N 2 0 314.473 2.790 20 0 DFADRP C[NH2+]CCCC(=O)N1CCC([NH2+][C@@H](C)C2CCCCCC2)CC1 ZINC000665287093 430884022 /nfs/dbraw/zinc/88/40/22/430884022.db2.gz BMUOSHXPYSUIGF-INIZCTEOSA-N 2 0 323.525 2.926 20 0 DFADRP OCC1CC([NH2+][C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)C1 ZINC000658355724 430885398 /nfs/dbraw/zinc/88/53/98/430885398.db2.gz JGYNCLVJVAUWGX-DRRJLQACSA-N 2 0 314.473 2.648 20 0 DFADRP Cn1ncc2c1CCC[C@H]2[NH2+]CC1CC[NH+](CC2CC2)CC1 ZINC000658358021 430885517 /nfs/dbraw/zinc/88/55/17/430885517.db2.gz XLRKEBVXURLTIZ-QGZVFWFLSA-N 2 0 302.466 2.509 20 0 DFADRP C[NH+](C)CCOC1CC[NH+](Cc2cccc3c2CCC3)CC1 ZINC000651638052 430838106 /nfs/dbraw/zinc/83/81/06/430838106.db2.gz KFEPXIVLJBOZCZ-UHFFFAOYSA-N 2 0 302.462 2.718 20 0 DFADRP C([NH2+][C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1)C1CC[NH+](CC2CC2)CC1 ZINC000665299560 430891700 /nfs/dbraw/zinc/89/17/00/430891700.db2.gz PIPRVFJLVYWOOA-GBESFXJTSA-N 3 0 305.510 2.619 20 0 DFADRP COc1cc(OC)c(C[NH2+]CC[C@H]2CCC[N@H+](C)C2)cc1F ZINC000651830030 430891756 /nfs/dbraw/zinc/89/17/56/430891756.db2.gz XYKIUMAPGZDMMB-CYBMUJFWSA-N 2 0 310.413 2.664 20 0 DFADRP CCCC[NH+]1CCC([NH2+][C@@H]2CC[C@H](CC(=O)OC)[C@@H]2C)CC1 ZINC000354157761 278695736 /nfs/dbraw/zinc/69/57/36/278695736.db2.gz KMFYGAVVHRORTJ-ZMSDIMECSA-N 2 0 310.482 2.818 20 0 DFADRP Cc1cc(Cl)cc(C[NH2+][C@@H]2CCN(C3CC[NH+](C)CC3)C2)c1 ZINC000645155143 430917514 /nfs/dbraw/zinc/91/75/14/430917514.db2.gz FOOPVAKFXAWXBH-QGZVFWFLSA-N 2 0 321.896 2.907 20 0 DFADRP CCC(CC)CCC[N@H+](C)CC(=O)NC1CC[NH+](CC)CC1 ZINC000662037204 430930082 /nfs/dbraw/zinc/93/00/82/430930082.db2.gz GVSRAYWOOILNIW-UHFFFAOYSA-N 2 0 311.514 2.735 20 0 DFADRP FC1(F)Oc2ccc(CC[NH2+][C@H]3CC[N@@H+]4CCC[C@@H]4C3)cc2O1 ZINC000652038174 430941826 /nfs/dbraw/zinc/94/18/26/430941826.db2.gz LRMJWILURXFXIJ-UONOGXRCSA-N 2 0 324.371 2.767 20 0 DFADRP O[C@@H]1CC[N@@H+](C2CCN(CCCc3ccccc3Cl)CC2)C1 ZINC000662152460 430981008 /nfs/dbraw/zinc/98/10/08/430981008.db2.gz FLHRUILOYINHRK-QGZVFWFLSA-N 2 0 322.880 2.804 20 0 DFADRP CC[N@H+](CCCNC(=O)N[C@H]1CCC[C@@H]([NH3+])C1)C1CCCCC1 ZINC000652216133 430990357 /nfs/dbraw/zinc/99/03/57/430990357.db2.gz JVMPLSUYHIGVCC-CVEARBPZSA-N 2 0 324.513 2.600 20 0 DFADRP C[C@H]([NH2+]CCc1cccc(C(F)(F)F)n1)C1CC[NH+](C)CC1 ZINC000645477706 431012321 /nfs/dbraw/zinc/01/23/21/431012321.db2.gz MBUJLTUKEKTPQG-LBPRGKRZSA-N 2 0 315.383 2.963 20 0 DFADRP COc1cccc(SCC[NH+]2CCC(OCCC[NH3+])CC2)c1 ZINC000662247231 431012333 /nfs/dbraw/zinc/01/23/33/431012333.db2.gz DFCSZODBGXEBJE-UHFFFAOYSA-N 2 0 324.490 2.617 20 0 DFADRP COc1ccccc1[C@H]1CCCC[N@@H+]1C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662258504 431020471 /nfs/dbraw/zinc/02/04/71/431020471.db2.gz VOALQPCFQNFXJG-NVXWUHKLSA-N 2 0 316.445 2.743 20 0 DFADRP Cc1cnn([C@H]2CCC[N@H+](Cc3cccc4c3CC[NH2+]C4)C2)c1 ZINC000662262422 431022174 /nfs/dbraw/zinc/02/21/74/431022174.db2.gz FKKBORCUULJXDD-SFHVURJKSA-N 2 0 310.445 2.674 20 0 DFADRP COc1ccc(-c2cc(C[N@@H+]3C[C@H](C[NH3+])C[C@H]3C)on2)cc1 ZINC000662265581 431022400 /nfs/dbraw/zinc/02/24/00/431022400.db2.gz RLOPNJHADIBNCK-OLZOCXBDSA-N 2 0 301.390 2.519 20 0 DFADRP C[N@H+](CCc1ccc2c(c1)OC(F)(F)O2)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000662265590 431022851 /nfs/dbraw/zinc/02/28/51/431022851.db2.gz RSFKRLQKFXFRJS-PBWFPOADSA-N 2 0 324.371 2.765 20 0 DFADRP c1cc(C[N@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)c2c(c1)C[NH2+]CC2 ZINC000662266129 431022971 /nfs/dbraw/zinc/02/29/71/431022971.db2.gz XXLIXFQPPNXPRN-KRWDZBQOSA-N 3 0 313.489 2.640 20 0 DFADRP CC[C@@H]1CN2CCCC[C@@H]2C[N@@H+]1Cc1ccc2c(c1)C[NH2+]CC2 ZINC000652339451 431025346 /nfs/dbraw/zinc/02/53/46/431025346.db2.gz VZNWDYJMAONKDE-WOJBJXKFSA-N 2 0 313.489 2.781 20 0 DFADRP Cc1cccc(OCC[N@@H+]2CCC[C@H]([C@H]3C[C@@H]([NH3+])CCO3)C2)c1 ZINC000652345481 431026267 /nfs/dbraw/zinc/02/62/67/431026267.db2.gz CLIYEDXFFOQLRO-JENIJYKNSA-N 2 0 318.461 2.592 20 0 DFADRP CCc1ccccc1C[N@@H+]1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1 ZINC000652349216 431027214 /nfs/dbraw/zinc/02/72/14/431027214.db2.gz FYOLGGDLUDQBJI-IPMKNSEASA-N 2 0 302.462 2.967 20 0 DFADRP [NH3+]CC[C@@H]1CCC[N@H+](Cc2cc(F)ccc2OC(F)F)C1 ZINC000662271824 431027392 /nfs/dbraw/zinc/02/73/92/431027392.db2.gz JLLIPQZZYDSPJC-NSHDSACASA-N 2 0 302.340 2.988 20 0 DFADRP [NH3+]C[C@@H]1C[N@H+](CC[C@H]2CCc3ccccc32)CC12CCOCC2 ZINC000662272644 431027651 /nfs/dbraw/zinc/02/76/51/431027651.db2.gz GNLQVJLCDDHAIB-QZTJIDSGSA-N 2 0 314.473 2.794 20 0 DFADRP C[C@@H](c1nc(-c2ccccc2)no1)N1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000652351189 431027987 /nfs/dbraw/zinc/02/79/87/431027987.db2.gz LJSQMPVACROSFF-YEWWUXTCSA-N 2 0 312.417 2.858 20 0 DFADRP CC(C)c1cccc(C[N@@H+]2C[C@@H](C[NH3+])C3(C2)CCOCC3)c1 ZINC000662271998 431028203 /nfs/dbraw/zinc/02/82/03/431028203.db2.gz AZSUHXFMVCMCFS-GOSISDBHSA-N 2 0 302.462 2.997 20 0 DFADRP Cc1ccc(F)cc1NC(=O)[C@H](C)N1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000652351807 431028344 /nfs/dbraw/zinc/02/83/44/431028344.db2.gz YKYZVCBGULYMFT-DEYYWGMASA-N 2 0 319.424 2.522 20 0 DFADRP CCC(C)(C)[NH+]1CCN(C(=O)[C@H](C)[C@@H]([NH3+])c2ccccc2)CC1 ZINC000655494839 431029445 /nfs/dbraw/zinc/02/94/45/431029445.db2.gz OQNPSIBNUDOSON-NVXWUHKLSA-N 2 0 317.477 2.655 20 0 DFADRP COc1cccc(C[NH+]2CCC([C@@H]3OCC[C@H]3[NH3+])CC2)c1Cl ZINC000662274144 431029878 /nfs/dbraw/zinc/02/98/78/431029878.db2.gz RJUCWAWRKRAVNR-PBHICJAKSA-N 2 0 324.852 2.677 20 0 DFADRP CC(C)N(C(=O)C[N@@H+]1CCC[C@H](C)[C@H]1CC[NH3+])C1CCCC1 ZINC000652355054 431030928 /nfs/dbraw/zinc/03/09/28/431030928.db2.gz OCTMXKUPAMPTKD-DOTOQJQBSA-N 2 0 309.498 2.615 20 0 DFADRP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCC[N@@H+]2CCOc2ccc(F)cc2)C1 ZINC000652360790 431032160 /nfs/dbraw/zinc/03/21/60/431032160.db2.gz QJSNTBUHJWKBAN-NXHRZFHOSA-N 2 0 322.424 2.565 20 0 DFADRP CO[C@H](C[NH+]1CCC([C@H]2C[C@H]([NH3+])CCO2)CC1)c1ccccc1 ZINC000662282100 431032789 /nfs/dbraw/zinc/03/27/89/431032789.db2.gz RSVMQMVJJSKPJM-GUDVDZBRSA-N 2 0 318.461 2.592 20 0 DFADRP CO[C@H](C[NH+]1CCC([C@H]2OCCC[C@@H]2[NH3+])CC1)C1CCCCC1 ZINC000662281260 431032987 /nfs/dbraw/zinc/03/29/87/431032987.db2.gz LLKKSOMNBHDVPX-IPMKNSEASA-N 2 0 324.509 2.800 20 0 DFADRP Cc1cccc(OCC[N@@H+]2CCCC[C@@H]2[C@H]2C[C@@H]([NH3+])CCO2)c1 ZINC000652360828 431033045 /nfs/dbraw/zinc/03/30/45/431033045.db2.gz RGAQDIBBUZGWPB-QXAKKESOSA-N 2 0 318.461 2.735 20 0 DFADRP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCC[N@@H+]2CCCc2ccccc2)C1 ZINC000652360804 431033253 /nfs/dbraw/zinc/03/32/53/431033253.db2.gz QRZFRFYTZUXXRZ-GUDVDZBRSA-N 2 0 302.462 2.980 20 0 DFADRP FC1(F)CCCC[C@@H]1C[NH+]1CCC(n2ncc3c2C[NH2+]C3)CC1 ZINC000662284854 431033472 /nfs/dbraw/zinc/03/34/72/431033472.db2.gz ZEXORZWWOCYFHB-CQSZACIVSA-N 2 0 324.419 2.949 20 0 DFADRP c1ccc(C[C@@H]2CCC[C@H]2[NH2+]C[C@H]2CCC3(C[NH2+]C3)O2)cc1 ZINC000662281709 431033659 /nfs/dbraw/zinc/03/36/59/431033659.db2.gz LCYPJYUNYBEYSZ-RCCFBDPRSA-N 2 0 300.446 2.508 20 0 DFADRP FC1(F)CCCC[C@H]1C[NH+]1CCC(n2ncc3c2C[NH2+]C3)CC1 ZINC000662284851 431033678 /nfs/dbraw/zinc/03/36/78/431033678.db2.gz ZEXORZWWOCYFHB-AWEZNQCLSA-N 2 0 324.419 2.949 20 0 DFADRP C[C@@H]([NH3+])c1ccc(C(=O)N[C@@H]2C[NH2+]CC[C@@H]2c2ccccc2)cc1 ZINC000659348792 431034221 /nfs/dbraw/zinc/03/42/21/431034221.db2.gz OVPUNQSGSHBEAX-NIKGAXFTSA-N 2 0 323.440 2.582 20 0 DFADRP COc1ccc(OCC[N@@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)cc1 ZINC000662294222 431035918 /nfs/dbraw/zinc/03/59/18/431035918.db2.gz JQGQEXJEYQTJJU-QGZVFWFLSA-N 2 0 318.461 2.786 20 0 DFADRP COc1ccccc1OCC[NH+]1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000662291366 431036313 /nfs/dbraw/zinc/03/63/13/431036313.db2.gz FQXPBTJEGSTISJ-QGZVFWFLSA-N 2 0 318.461 2.786 20 0 DFADRP CC[C@H]([NH2+]C)C(=O)NCc1ccccc1C[N@@H+]1CCC[C@@H](C)C1 ZINC000662388549 431069872 /nfs/dbraw/zinc/06/98/72/431069872.db2.gz OHTPHZVUMXQGDM-QAPCUYQASA-N 2 0 317.477 2.533 20 0 DFADRP CC1(C)C[NH2+][C@@H]1C(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC000645673797 431047613 /nfs/dbraw/zinc/04/76/13/431047613.db2.gz IRQHEBHMEZZEHA-QGZVFWFLSA-N 2 0 315.461 2.652 20 0 DFADRP Cc1ccccc1C[NH+]1CCC(NC(=O)CCC(C)(C)[NH3+])CC1 ZINC000649287988 431057523 /nfs/dbraw/zinc/05/75/23/431057523.db2.gz WWUNMUHUGKWPMB-UHFFFAOYSA-N 2 0 317.477 2.593 20 0 DFADRP C[C@H]1CCCC[N@@H+]1Cc1ccc(NC(=O)[C@@H]2C[C@H]3C[C@H]3[NH2+]2)cc1 ZINC000649288185 431057835 /nfs/dbraw/zinc/05/78/35/431057835.db2.gz AOGSEWQYIIFMRI-NZPGVSJUSA-N 2 0 313.445 2.750 20 0 DFADRP Cc1ccc([C@@H](CNC(=O)CCC(C)(C)[NH3+])[NH+]2CCCC2)cc1 ZINC000649309979 431062656 /nfs/dbraw/zinc/06/26/56/431062656.db2.gz MGYOQNLXOBSXOF-QGZVFWFLSA-N 2 0 317.477 2.766 20 0 DFADRP CCOc1ccc([C@H]2CCC[N@@H+]2C[C@@H]2CCC3(C[NH2+]C3)O2)cc1 ZINC000662248498 431012780 /nfs/dbraw/zinc/01/27/80/431012780.db2.gz DGUGUUDIMMSWBB-ZWKOTPCHSA-N 2 0 316.445 2.743 20 0 DFADRP C[N@@H+](Cc1csc2ccccc12)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662248955 431012994 /nfs/dbraw/zinc/01/29/94/431012994.db2.gz MKWFJZKWZUPOSD-CQSZACIVSA-N 2 0 302.443 2.854 20 0 DFADRP C[C@@H]([NH3+])[C@@H]1CCC[N@H+](CCc2ccc3c(c2)OC(F)(F)O3)C1 ZINC000662244447 431014019 /nfs/dbraw/zinc/01/40/19/431014019.db2.gz GXDDKYJCPVOBKY-DGCLKSJQSA-N 2 0 312.360 2.610 20 0 DFADRP OCC[N@H+](Cc1cccc2c1CC[NH2+]C2)[C@H]1CCc2ccccc21 ZINC000662254235 431015607 /nfs/dbraw/zinc/01/56/07/431015607.db2.gz GBFCEVMAYYINTO-NRFANRHFSA-N 2 0 322.452 2.814 20 0 DFADRP C[C@@H](O)C[N@H+](Cc1cccc2c1CC[NH2+]C2)C1CCCCC1 ZINC000662256098 431015664 /nfs/dbraw/zinc/01/56/64/431015664.db2.gz GCNFHZLRFCARCU-OAHLLOKOSA-N 2 0 302.462 2.848 20 0 DFADRP c1ccc(SC[C@H]2CC[N@H+](C[C@@H]3CCC4(C[NH2+]C4)O3)C2)cc1 ZINC000662256352 431017994 /nfs/dbraw/zinc/01/79/94/431017994.db2.gz IMJLILDXSCJXNX-HOTGVXAUSA-N 2 0 318.486 2.622 20 0 DFADRP Cc1[nH+]c2cc(NC3CC[NH+]([C@@H]4CCOC4)CC3)ccc2n1C ZINC000655751511 431115703 /nfs/dbraw/zinc/11/57/03/431115703.db2.gz HOHWXILVOSLMOD-MRXNPFEDSA-N 2 0 314.433 2.547 20 0 DFADRP Cc1ccc(C[NH+](C)C)cc1NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000655752179 431117692 /nfs/dbraw/zinc/11/76/92/431117692.db2.gz NFNPNZWVXAKXMJ-GOSISDBHSA-N 2 0 317.477 2.722 20 0 DFADRP CC[C@H]([NH2+]C)C(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC000662400271 431070644 /nfs/dbraw/zinc/07/06/44/431070644.db2.gz PTXRVEZCFVGSHJ-KRWDZBQOSA-N 2 0 303.450 2.652 20 0 DFADRP CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)[C@H]([NH3+])c1cccc(Cl)c1 ZINC000649341791 431071046 /nfs/dbraw/zinc/07/10/46/431071046.db2.gz XCWORPCQYWKOMW-JKSUJKDBSA-N 2 0 323.868 2.673 20 0 DFADRP C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)c2cccc3c2C[NH2+]C3)C1 ZINC000662401812 431073063 /nfs/dbraw/zinc/07/30/63/431073063.db2.gz BMDUGPFNEBRMQU-AWEZNQCLSA-N 2 0 315.461 2.530 20 0 DFADRP CC(C)c1ccc([C@@H]([NH3+])CNC(=O)C2([NH3+])CC3(CCC3)C2)cc1 ZINC000662410498 431074081 /nfs/dbraw/zinc/07/40/81/431074081.db2.gz LMONBDDIDQSCTO-INIZCTEOSA-N 2 0 315.461 2.588 20 0 DFADRP Cc1ccc([C@@H](CNC(=O)c2cccc3c2C[NH2+]C3)[NH+](C)C)cc1 ZINC000662418530 431076355 /nfs/dbraw/zinc/07/63/55/431076355.db2.gz UZFKMEVEEZNHOJ-LJQANCHMSA-N 2 0 323.440 2.631 20 0 DFADRP CC[C@@H]([NH2+]C)C(=O)NCc1cccc(C[NH+]2CCC(C)CC2)c1 ZINC000662436831 431081136 /nfs/dbraw/zinc/08/11/36/431081136.db2.gz ZTGMXXVLRFOEAJ-GOSISDBHSA-N 2 0 317.477 2.533 20 0 DFADRP CC(C)[C@@H]([NH3+])CC(=O)N1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000649378497 431082095 /nfs/dbraw/zinc/08/20/95/431082095.db2.gz AGEWSGUWOLRADC-WMZOPIPTSA-N 2 0 323.525 2.863 20 0 DFADRP COc1ccccc1[C@@H](C)[NH2+]C1CCN([C@H]2CCOC2)CC1 ZINC000655693326 431084587 /nfs/dbraw/zinc/08/45/87/431084587.db2.gz XGOXFTZKWGVNCD-ZBFHGGJFSA-N 2 0 304.434 2.599 20 0 DFADRP CC(C)C[C@@H](CNC(=O)C[NH2+]C(C)C)[NH2+][C@@H](C)c1ccccc1 ZINC000662453525 431084963 /nfs/dbraw/zinc/08/49/63/431084963.db2.gz BPRVZNWEKWOMJB-WMZOPIPTSA-N 2 0 319.493 2.866 20 0 DFADRP CCCC[N@H+](C)CCNC(=O)c1ccc2c(c1)[C@H](C[NH3+])CCC2 ZINC000662457824 431087485 /nfs/dbraw/zinc/08/74/85/431087485.db2.gz SMKSPIOBYHYKCR-KRWDZBQOSA-N 2 0 317.477 2.527 20 0 DFADRP CC(C)(CC[NH+]1CCCCCC1)NC(=O)NCC1([NH3+])CCCC1 ZINC000659571706 431090042 /nfs/dbraw/zinc/09/00/42/431090042.db2.gz AVWHHITZOIILKP-UHFFFAOYSA-N 2 0 324.513 2.602 20 0 DFADRP CC(C)C[C@@H](C[NH+](C)C)NC(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC000362627143 278973680 /nfs/dbraw/zinc/97/36/80/278973680.db2.gz MLNDQCQBRCVMDZ-IRXDYDNUSA-N 2 0 311.514 2.589 20 0 DFADRP c1cc(CN2CC[NH+](CCCC3CC[NH2+]CC3)CC2)cs1 ZINC000649411382 431093495 /nfs/dbraw/zinc/09/34/95/431093495.db2.gz PVHCSBSZGSXOFZ-UHFFFAOYSA-N 2 0 307.507 2.646 20 0 DFADRP Oc1cccc2c1CC[C@@H]2[NH2+]C1CCN(C[C@H]2CCCO2)CC1 ZINC000655714342 431093659 /nfs/dbraw/zinc/09/36/59/431093659.db2.gz AYMXDUHYPPWPLB-QAPCUYQASA-N 2 0 316.445 2.613 20 0 DFADRP Cc1cc2c(c(C)c1)[C@H]([NH2+][C@@H](C)CN1CC[NH+](C)CC1)CC2 ZINC000655711199 431094446 /nfs/dbraw/zinc/09/44/46/431094446.db2.gz GISDXNVTHFZISB-FUHWJXTLSA-N 2 0 301.478 2.516 20 0 DFADRP CCC[N@H+](CC)CCNC(=O)c1ccc2c(c1)[C@@H](C[NH3+])CCC2 ZINC000662486588 431095492 /nfs/dbraw/zinc/09/54/92/431095492.db2.gz MPVKIOORIWDJQQ-QGZVFWFLSA-N 2 0 317.477 2.527 20 0 DFADRP [NH3+][C@H](CC1CCCCC1)C(=O)N1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000662587493 431125972 /nfs/dbraw/zinc/12/59/72/431125972.db2.gz GBPFTOLQDRYYRU-ZWKOTPCHSA-N 2 0 321.509 2.522 20 0 DFADRP Cc1nn(-c2ccc(C)cc2)cc1C[NH2+]CCCC[NH+](C)C ZINC000655721319 431099460 /nfs/dbraw/zinc/09/94/60/431099460.db2.gz NEOAFBRCRHXEGE-UHFFFAOYSA-N 2 0 300.450 2.921 20 0 DFADRP [NH3+]CC1(CC(=O)Nc2cnn(-c3cc[nH+]cc3)c2)CCCCC1 ZINC000645889342 431103587 /nfs/dbraw/zinc/10/35/87/431103587.db2.gz DVFCYPNDHMPLBE-UHFFFAOYSA-N 2 0 313.405 2.505 20 0 DFADRP Cc1nn(-c2ccccc2F)cc1C[NH2+]CC1CC[NH+](C)CC1 ZINC000655729929 431103755 /nfs/dbraw/zinc/10/37/55/431103755.db2.gz PZWDUVMOAXJHSS-UHFFFAOYSA-N 2 0 316.424 2.751 20 0 DFADRP COCC[N@H+](CCc1ccncc1C)Cc1scnc1C ZINC000645894041 431105340 /nfs/dbraw/zinc/10/53/40/431105340.db2.gz WYQXBFKULSYKAM-UHFFFAOYSA-N 2 0 305.447 2.846 20 0 DFADRP CCc1cc(CCC[N@H+](C)C[C@@H]2CCc3nccn3C2)on1 ZINC000649460612 431108270 /nfs/dbraw/zinc/10/82/70/431108270.db2.gz AYEJRPAMXZYUMS-AWEZNQCLSA-N 2 0 302.422 2.561 20 0 DFADRP [NH3+][C@H](CCC(=O)N[C@@H]1CC[N@H+](CC2CC2)C1)CC1CCCCC1 ZINC000645953391 431129126 /nfs/dbraw/zinc/12/91/26/431129126.db2.gz RSPFGIRLGAPXNQ-QZTJIDSGSA-N 2 0 321.509 2.665 20 0 DFADRP CC[N@H+](C)[C@@H](C(=O)NC[C@@H](CC(C)C)[NH+](C)C)c1ccccc1 ZINC000114376800 279042581 /nfs/dbraw/zinc/04/25/81/279042581.db2.gz ITPYKKBDUUSGFV-QZTJIDSGSA-N 2 0 319.493 2.772 20 0 DFADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+][C@H]1CCOC2(CCSCC2)C1 ZINC000358289681 288107910 /nfs/dbraw/zinc/10/79/10/288107910.db2.gz DCEIKWDMZTYNDU-LVQVYYBASA-N 2 0 312.523 2.750 20 0 DFADRP CC[NH+](CC)Cc1ccc(CNC(=O)[C@H]2C[C@H](C)CC[NH2+]2)cc1 ZINC000261834823 279137484 /nfs/dbraw/zinc/13/74/84/279137484.db2.gz IHIYHHSULXZCGM-CRAIPNDOSA-N 2 0 317.477 2.533 20 0 DFADRP CC(C)C[C@H](C[NH2+]CC1(O)CC[NH+](C)CC1)c1ccccc1 ZINC000354428052 279162820 /nfs/dbraw/zinc/16/28/20/279162820.db2.gz VXASNFXLCRCSPC-GOSISDBHSA-N 2 0 304.478 2.863 20 0 DFADRP C[C@H](CCC[NH3+])[NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]12 ZINC000309894095 279256318 /nfs/dbraw/zinc/25/63/18/279256318.db2.gz FVDWITMUFAASFT-NXWXRZEISA-N 3 0 301.478 2.614 20 0 DFADRP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@@H]1CC(C)(C)c2ccccc21 ZINC000177968596 279312904 /nfs/dbraw/zinc/31/29/04/279312904.db2.gz XEBQUDOJQBCZQZ-CRAIPNDOSA-N 2 0 301.478 2.635 20 0 DFADRP C[C@H](C[NH2+][C@H]1CCCc2sccc21)CN1CC[NH+](C)CC1 ZINC000120996459 279353609 /nfs/dbraw/zinc/35/36/09/279353609.db2.gz JZIVZMHYSYKZPC-ZBFHGGJFSA-N 2 0 307.507 2.599 20 0 DFADRP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)[NH2+]C[C@H](C)OC)CC1 ZINC000182432679 279374252 /nfs/dbraw/zinc/37/42/52/279374252.db2.gz MRHLTOCJTYZJKF-LSDHHAIUSA-N 2 0 323.456 2.653 20 0 DFADRP C[C@H](C[NH+]1CCC(C)CC1)NC(=O)c1ccc([C@H](C)[NH3+])cc1 ZINC000662694011 431164129 /nfs/dbraw/zinc/16/41/29/431164129.db2.gz NODVEPDOLDFCDQ-CABCVRRESA-N 2 0 303.450 2.557 20 0 DFADRP C[N@@H+]1CCC[C@@H](CNC(=O)CC2([NH3+])CCC2)[C@H]1c1cccs1 ZINC000646071308 431167964 /nfs/dbraw/zinc/16/79/64/431167964.db2.gz OUCZWOIKBNKDKJ-BBRMVZONSA-N 2 0 321.490 2.519 20 0 DFADRP C[NH+](C)[C@H]1C[C@@H](C[NH2+]Cc2cnc(-c3ccncc3)s2)C1 ZINC000655824151 431170546 /nfs/dbraw/zinc/17/05/46/431170546.db2.gz GOVMUSQFWAQYCR-XBXGTLAGSA-N 2 0 302.447 2.635 20 0 DFADRP C[N@@H+]1CCC[C@@H]1CC[NH+]1CCC[C@H](O)[C@H]1CCc1ccccc1 ZINC000646073976 431172272 /nfs/dbraw/zinc/17/22/72/431172272.db2.gz MRAXYWYEUISECR-AQNXPRMDSA-N 2 0 316.489 2.929 20 0 DFADRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H](C)Cc2ccccn2)[C@H](C)C1 ZINC000655836209 431177203 /nfs/dbraw/zinc/17/72/03/431177203.db2.gz FXCQXLABKXCEGH-LMMKCTJWSA-N 2 0 319.493 2.739 20 0 DFADRP CC[C@H](CC(F)F)C[NH+]1CCN(C[C@H]2CCCC[N@@H+]2C)CC1 ZINC000659908405 431182849 /nfs/dbraw/zinc/18/28/49/431182849.db2.gz FGMXIVFEQAISKR-HZPDHXFCSA-N 2 0 317.468 2.770 20 0 DFADRP CC[N@H+](C[C@H](O)C[NH+](C)C(C)C)[C@H](C)Cc1ccc(OC)cc1 ZINC000659912118 431186006 /nfs/dbraw/zinc/18/60/06/431186006.db2.gz GJNFRHMTUMMLCY-SJLPKXTDSA-N 2 0 322.493 2.649 20 0 DFADRP CO[C@H](C[NH+]1CCC(CC[NH+]2CCOCC2)CC1)C1CCCC1 ZINC000659861079 431154706 /nfs/dbraw/zinc/15/47/06/431154706.db2.gz NVLZKSBYYAYDPA-LJQANCHMSA-N 2 0 324.509 2.626 20 0 DFADRP C[C@@H]([NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1)c1ccc(OCC[NH+](C)C)cc1 ZINC000655805049 431154991 /nfs/dbraw/zinc/15/49/91/431154991.db2.gz AIHLBBCRLRTESN-NUJGCVRESA-N 3 0 319.493 2.618 20 0 DFADRP C[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)CC1 ZINC000655805629 431156613 /nfs/dbraw/zinc/15/66/13/431156613.db2.gz JOULMQVMEBPIOO-FPAYPSAMSA-N 3 0 307.526 2.959 20 0 DFADRP CCO[C@@H]1C[C@H]([NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)[C@H]1Oc1ccccc1 ZINC000655805749 431156871 /nfs/dbraw/zinc/15/68/71/431156871.db2.gz RXYUISOKQOFNTG-BSWVEEBUSA-N 2 0 318.461 2.541 20 0 DFADRP CC1CC[NH+](C[C@@H]2CCC[N@H+](C[C@@H]3CCC[C@H](O)C3)C2)CC1 ZINC000659865823 431157014 /nfs/dbraw/zinc/15/70/14/431157014.db2.gz QJQSEFVMZWIRLL-QYZOEREBSA-N 2 0 308.510 2.981 20 0 DFADRP C[C@H]1C[C@H]([NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)CCN1Cc1ccccc1 ZINC000655806708 431158029 /nfs/dbraw/zinc/15/80/29/431158029.db2.gz ZPUNRVBIVRZPCK-IJXRJRJASA-N 2 0 315.505 2.969 20 0 DFADRP C[C@H]1C[C@H](C)C[NH+](CCCCNC(=O)C2([NH2+]C3CC3)CCC2)C1 ZINC000662683411 431161024 /nfs/dbraw/zinc/16/10/24/431161024.db2.gz NTFZSPDBUODYPP-HOTGVXAUSA-N 2 0 321.509 2.535 20 0 DFADRP C[NH2+]Cc1ccccc1NC(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000655907888 431213919 /nfs/dbraw/zinc/21/39/19/431213919.db2.gz PIEQXQZOWFSIAT-IAGOWNOFSA-N 2 0 316.449 2.544 20 0 DFADRP CC[C@@H]1C[N@@H+]2CCCC[C@@H]2CN1C(=O)CC1(C[NH3+])CCCCC1 ZINC000646193828 431224043 /nfs/dbraw/zinc/22/40/43/431224043.db2.gz BAWBGPHSAAZCLB-IAGOWNOFSA-N 2 0 321.509 2.761 20 0 DFADRP CC[C@@H]1C[N@@H+]2CCCC[C@H]2CN1C(=O)c1ccc([C@@H](C)[NH3+])cc1 ZINC000646193912 431224598 /nfs/dbraw/zinc/22/45/98/431224598.db2.gz GWDDJNNQMXROLL-OLMNPRSZSA-N 2 0 315.461 2.795 20 0 DFADRP C[C@@H]1C[C@@H](C[NH2+]Cc2ccc(OCC[NH+](C)C)cc2)[C@H](C)O1 ZINC000666429290 431228034 /nfs/dbraw/zinc/22/80/34/431228034.db2.gz KWHGEMNLNVWXGI-VYDXJSESSA-N 2 0 306.450 2.530 20 0 DFADRP CC[C@H]([NH2+]Cc1ccc(OCC[NH+](C)C)cc1)[C@@H](O)C(C)C ZINC000666446719 431233383 /nfs/dbraw/zinc/23/33/83/431233383.db2.gz JNKLACXSVUVFRR-ROUUACIJSA-N 2 0 308.466 2.512 20 0 DFADRP C[NH+](C)CC[C@@H](N)C(=O)Nc1ccc2oc3ccccc3c2c1 ZINC000653056463 431247415 /nfs/dbraw/zinc/24/74/15/431247415.db2.gz HOCLYRYBCTYJJA-OAHLLOKOSA-N 2 0 311.385 2.804 20 0 DFADRP C[C@H]1C[C@H](CCNC(=O)CC(C)(C)[NH3+])C[N@@H+]1Cc1ccccc1 ZINC000646264406 431248733 /nfs/dbraw/zinc/24/87/33/431248733.db2.gz ZVIDXBDHANKCLV-RDJZCZTQSA-N 2 0 317.477 2.531 20 0 DFADRP CC(C)[C@H]([NH3+])CC(=O)Nc1cccc(CC[NH+]2CCCC2)c1 ZINC000646288533 431255953 /nfs/dbraw/zinc/25/59/53/431255953.db2.gz VMCHPQOGBXPGTK-QGZVFWFLSA-N 2 0 303.450 2.637 20 0 DFADRP CC(C)[C@@H](C)[NH+]1CCC(C(=O)NCCC[NH+]2CCCCC2)CC1 ZINC000660118931 431277673 /nfs/dbraw/zinc/27/76/73/431277673.db2.gz JXZCDTLIPPWUEF-QGZVFWFLSA-N 2 0 323.525 2.735 20 0 DFADRP C[N@H+](CCCN1CC[NH+](C)CC1)CC[C@@H]1CCc2ccccc21 ZINC000660145441 431290325 /nfs/dbraw/zinc/29/03/25/431290325.db2.gz RVRYWERFUSQQJA-IBGZPJMESA-N 2 0 315.505 2.676 20 0 DFADRP CC(C)[C@@H]1[NH2+]CC[C@H]1C(=O)Nc1ccc(C[NH+]2CCCC2)cc1 ZINC000646395071 431293201 /nfs/dbraw/zinc/29/32/01/431293201.db2.gz CFNGFHPNIQKYIO-MSOLQXFVSA-N 2 0 315.461 2.855 20 0 DFADRP CCN1C[C@H](C[N@H+](C)C[C@@H]2CC[NH2+][C@H](C)C2)Oc2ccccc21 ZINC000666616085 431297590 /nfs/dbraw/zinc/29/75/90/431297590.db2.gz JZPYAKJXYPENNJ-ZACQAIPSSA-N 2 0 317.477 2.594 20 0 DFADRP CC[N@H+](CCCNC(=O)[C@H]1CC12CC[NH2+]CC2)C1CCCCC1 ZINC000653200392 431305509 /nfs/dbraw/zinc/30/55/09/431305509.db2.gz CTHRVPQBYSZRMJ-QGZVFWFLSA-N 2 0 321.509 2.537 20 0 DFADRP CC(C)[C@H](CN[C@@H]1CCC[C@@H]([NH3+])C1)[N@@H+]1CCc2ccccc2C1 ZINC000656198223 431306348 /nfs/dbraw/zinc/30/63/48/431306348.db2.gz YMJALGGRGORENW-AQNXPRMDSA-N 2 0 315.505 2.929 20 0 DFADRP CC[NH+](CC)Cc1cccc(CNC(=O)[C@@H]2CCC[NH2+]CC2)c1 ZINC000653109264 431271391 /nfs/dbraw/zinc/27/13/91/431271391.db2.gz ZPQVBIJHVRJHDL-GOSISDBHSA-N 2 0 317.477 2.534 20 0 DFADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]C[C@H](OC)C2CCC2)[C@@H](C)C1 ZINC000660307296 431370126 /nfs/dbraw/zinc/37/01/26/431370126.db2.gz WASRMCIIHJCQDQ-SZMVWBNQSA-N 2 0 312.498 2.528 20 0 DFADRP [NH3+]C1C[C@H]2CCC[C@@H](C1)C2[NH2+]Cc1nccn1Cc1ccccc1 ZINC000666820919 431371246 /nfs/dbraw/zinc/37/12/46/431371246.db2.gz TVBPLUYFLGQQMI-ZVBHREPYSA-N 2 0 324.472 2.927 20 0 DFADRP C[N@@H+]1CCN(CCC[NH+]2CCCCC2)[C@@H](Cc2ccccc2)C1 ZINC000649828062 431321038 /nfs/dbraw/zinc/32/10/38/431321038.db2.gz BPSASGAWNGWWQJ-FQEVSTJZSA-N 2 0 315.505 2.721 20 0 DFADRP C[NH+](C)Cc1ccc(NC2CC[NH+]([C@@H]3CCOC3)CC2)c(F)c1 ZINC000656263533 431343523 /nfs/dbraw/zinc/34/35/23/431343523.db2.gz LLSHIZKKIPMDJR-MRXNPFEDSA-N 2 0 321.440 2.553 20 0 DFADRP COc1cc(CN[C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)sn1 ZINC000660257894 431345521 /nfs/dbraw/zinc/34/55/21/431345521.db2.gz XQLVLLFBGAVJLQ-QWHCGFSZSA-N 2 0 309.479 2.894 20 0 DFADRP CC(C)CNC(=O)CCC[NH2+][C@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000660256003 431345851 /nfs/dbraw/zinc/34/58/51/431345851.db2.gz HNAIASHCISRPFK-SJORKVTESA-N 2 0 323.525 2.781 20 0 DFADRP c1cc(N2CCC([NH2+][C@H](C3CC3)[C@H]3CCCCO3)CC2)cc[nH+]1 ZINC000656267887 431345972 /nfs/dbraw/zinc/34/59/72/431345972.db2.gz MESKBXFWFLPZHE-RTBURBONSA-N 2 0 315.461 2.988 20 0 DFADRP COc1cc(CN[C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)sn1 ZINC000660257888 431346058 /nfs/dbraw/zinc/34/60/58/431346058.db2.gz XQLVLLFBGAVJLQ-CHWSQXEVSA-N 2 0 309.479 2.894 20 0 DFADRP CC(C)c1nc(C[NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)c2ccccn21 ZINC000656270107 431348454 /nfs/dbraw/zinc/34/84/54/431348454.db2.gz YSADTHRGZZDQKV-GASCZTMLSA-N 2 0 300.450 2.888 20 0 DFADRP C[C@H]1C[C@H]([NH3+])CCN1Cc1cnn(Cc2ccccc2Cl)c1 ZINC000653279482 431349138 /nfs/dbraw/zinc/34/91/38/431349138.db2.gz HAWUBHVPHRRRDA-XJKSGUPXSA-N 2 0 318.852 2.896 20 0 DFADRP Cc1cccc(NC(=O)C[C@@H](C)NC[C@H]2CCCC[NH2+]2)c1C ZINC000666770395 431351433 /nfs/dbraw/zinc/35/14/33/431351433.db2.gz YLGNIQONHQTSFG-GDBMZVCRSA-N 2 0 303.450 2.752 20 0 DFADRP CC(C)[N@H+](C)C[C@@H](O)C[NH2+]C1(Cc2ccccc2)CCCC1 ZINC000660276656 431354176 /nfs/dbraw/zinc/35/41/76/431354176.db2.gz RLZCYPZTDWZSML-SFHVURJKSA-N 2 0 304.478 2.833 20 0 DFADRP O=C(NC[C@H]1CCCC[NH2+]1)c1cccc(Oc2ccncc2)c1 ZINC000646651298 431357899 /nfs/dbraw/zinc/35/78/99/431357899.db2.gz WJGIFRCQZYZOJU-OAHLLOKOSA-N 2 0 311.385 2.746 20 0 DFADRP CC(C)c1cccc(C[NH2+]CCN2CC[N@H+](C)C(C)(C)C2)c1 ZINC000663326405 431367051 /nfs/dbraw/zinc/36/70/51/431367051.db2.gz IYIUGIYQGYHCPK-UHFFFAOYSA-N 2 0 303.494 2.926 20 0 DFADRP CC[N@H+](C)C[C@H](O)C[NH+]1CCC[C@H](Cc2ccc(C)cc2)C1 ZINC000653525836 431420557 /nfs/dbraw/zinc/42/05/57/431420557.db2.gz INIBHCIDVBNFDU-MOPGFXCFSA-N 2 0 304.478 2.562 20 0 DFADRP Brc1ccc(C[NH2+][C@H]2CC23CC[NH2+]CC3)s1 ZINC000666952524 431422437 /nfs/dbraw/zinc/42/24/37/431422437.db2.gz ZQCVAFDGBUYKDD-JTQLQIEISA-N 2 0 301.253 2.742 20 0 DFADRP CCOc1cc(C[NH2+][C@@H]2CCC[NH2+]CC2)cc(Cl)c1OC ZINC000666853912 431383464 /nfs/dbraw/zinc/38/34/64/431383464.db2.gz MKTKRTRLSFULDP-CYBMUJFWSA-N 2 0 312.841 2.979 20 0 DFADRP CC[C@H](O)C[NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CC12CCC2 ZINC000663369224 431390306 /nfs/dbraw/zinc/39/03/06/431390306.db2.gz ZESZMGJRWMQRDA-MSOLQXFVSA-N 2 0 302.462 2.649 20 0 DFADRP COc1cccc(-c2n[nH]cc2C[NH2+]CCC[C@H]2CCC[NH2+]2)c1 ZINC000666902389 431402328 /nfs/dbraw/zinc/40/23/28/431402328.db2.gz KDXNBWYDNOKTOF-INIZCTEOSA-N 2 0 314.433 2.707 20 0 DFADRP CN(Cc1ccccc1)C[C@H](O)C[N@H+]1C[C@@H]2CCCC[C@@H]2C1 ZINC000650015871 431403686 /nfs/dbraw/zinc/40/36/86/431403686.db2.gz RVIPCAMSDSCWHG-OTWHNJEPSA-N 2 0 302.462 2.601 20 0 DFADRP Cc1nn2c(C[NH2+]C[C@@H]3CCC[C@H]([NH3+])C3)c(C(C)C)nc2s1 ZINC000666921129 431405634 /nfs/dbraw/zinc/40/56/34/431405634.db2.gz YQBRGCQFLNGMCK-OLZOCXBDSA-N 2 0 321.494 2.830 20 0 DFADRP CC(C)[C@@H](C(=O)N[C@@H](C[NH3+])c1ccc2ccccc2c1)[NH+](C)C ZINC000278281356 279792805 /nfs/dbraw/zinc/79/28/05/279792805.db2.gz PXVVBLHYJZOUTO-ROUUACIJSA-N 2 0 313.445 2.542 20 0 DFADRP C[NH+](C)Cc1ccc(-c2cncc([C@@H]3OCC[C@H]3[NH3+])c2)cc1F ZINC000653509840 431411994 /nfs/dbraw/zinc/41/19/94/431411994.db2.gz YTRKBYVAERPAJV-MSOLQXFVSA-N 2 0 315.392 2.738 20 0 DFADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1N[C@H]1CC[NH2+]C2(CCC2)C1 ZINC000666995390 431438006 /nfs/dbraw/zinc/43/80/06/431438006.db2.gz MRKKDIDIJBFNRC-NZSAHSFTSA-N 2 0 313.489 2.771 20 0 DFADRP Cc1ccc(-c2n[nH]cc2C[NH2+][C@H]2CC[NH2+]C3(CCC3)C2)o1 ZINC000666995059 431438747 /nfs/dbraw/zinc/43/87/47/431438747.db2.gz BNWCIBSBMIZDPP-AWEZNQCLSA-N 2 0 300.406 2.742 20 0 DFADRP CCOc1c(OC)cc(C[NH2+]CC[C@@H]([NH3+])C(C)C)cc1OC ZINC000663497626 431442224 /nfs/dbraw/zinc/44/22/24/431442224.db2.gz DHPQVFYRHGIYCT-CQSZACIVSA-N 2 0 310.438 2.566 20 0 DFADRP C[NH2+]CCCC(=O)N1CCC([NH2+][C@H]2CCC[C@@H](C3CC3)C2)CC1 ZINC000663506118 431447867 /nfs/dbraw/zinc/44/78/67/431447867.db2.gz QCGCADBTNHDMOS-AEFFLSMTSA-N 2 0 321.509 2.535 20 0 DFADRP CN1CCCC[C@@H]1C(=O)Nc1cc(C[NH3+])cc(C(F)(F)F)c1 ZINC000647019220 431448563 /nfs/dbraw/zinc/44/85/63/431448563.db2.gz IBCSPNQNHKQUQG-CYBMUJFWSA-N 2 0 315.339 2.587 20 0 DFADRP CC[C@@H]1CCC[C@@H]([NH2+]C2CCN(C(=O)CCC[NH2+]C)CC2)C1 ZINC000663505508 431449612 /nfs/dbraw/zinc/44/96/12/431449612.db2.gz JMNQVIIZJUTKAQ-NVXWUHKLSA-N 2 0 309.498 2.535 20 0 DFADRP COc1cccc([C@H](C)[N@@H+]2CCC[C@@H](N3CCOCC3)CC2)c1 ZINC000660475947 431450255 /nfs/dbraw/zinc/45/02/55/431450255.db2.gz ZZLJUSIVBHIMDV-FUHWJXTLSA-N 2 0 318.461 2.943 20 0 DFADRP CCc1ccccc1[C@H]([NH3+])CNC(=O)CC[C@@H]1CCCC[N@@H+]1C ZINC000647084390 431456729 /nfs/dbraw/zinc/45/67/29/431456729.db2.gz WPVZNUQWDGXZGG-FUHWJXTLSA-N 2 0 317.477 2.630 20 0 DFADRP Cc1ccc(C[N@H+]2CC[C@@H](CN(C)Cc3cn(C)cn3)C2)s1 ZINC000660497079 431459607 /nfs/dbraw/zinc/45/96/07/431459607.db2.gz KZEQHIHRDFYZNT-HNNXBMFYSA-N 2 0 318.490 2.744 20 0 DFADRP Cc1ccc([C@@H]2C[C@@H](C)[NH+](C[C@@H](O)C[N@@H+](C)C(C)C)C2)cc1 ZINC000660432831 431426866 /nfs/dbraw/zinc/42/68/66/431426866.db2.gz XXEGFTOAGOSECE-QRQLOZEOSA-N 2 0 304.478 2.874 20 0 DFADRP c1ccc2c(c1)ccnc2C[NH2+]C1CCC(N2CC[NH2+]CC2)CC1 ZINC000666979011 431431237 /nfs/dbraw/zinc/43/12/37/431431237.db2.gz YCQLZYVNYUYBHZ-UHFFFAOYSA-N 2 0 324.472 2.541 20 0 DFADRP COc1cnccc1[C@@H](C)[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000656570380 431432120 /nfs/dbraw/zinc/43/21/20/431432120.db2.gz LSFPSOOMJZXWSZ-CQSZACIVSA-N 2 0 312.417 2.805 20 0 DFADRP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](CCCc2cncn2C)C1 ZINC000653556727 431436790 /nfs/dbraw/zinc/43/67/90/431436790.db2.gz FVYUIDIYCPLMCO-QZTJIDSGSA-N 2 0 318.509 2.939 20 0 DFADRP Cc1[nH+]ccc(N2CCC[C@H]([C@H]3C[C@@H]([NH3+])CCO3)C2)c1Cl ZINC000650296688 431516739 /nfs/dbraw/zinc/51/67/39/431516739.db2.gz JXZFPYXUTIFGQN-KCQAQPDRSA-N 2 0 309.841 2.766 20 0 DFADRP COc1ccc(C[N@@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)c(OC)c1 ZINC000656783871 431519090 /nfs/dbraw/zinc/51/90/90/431519090.db2.gz AYIOXJZMYAUWSX-INIZCTEOSA-N 2 0 318.461 2.915 20 0 DFADRP CCCC[C@@](C)(CO)[NH2+]Cc1cn(-c2cc[nH+]cc2)nc1C ZINC000647240044 431520541 /nfs/dbraw/zinc/52/05/41/431520541.db2.gz YPNYHQRBXKWBDO-KRWDZBQOSA-N 2 0 302.422 2.607 20 0 DFADRP Cc1ccc2ncc(C[NH+]3CCC([C@H]4CCC[NH2+]C4)CC3)n2c1 ZINC000656784509 431520909 /nfs/dbraw/zinc/52/09/09/431520909.db2.gz BPCOCFBYBFPEND-KRWDZBQOSA-N 2 0 312.461 2.854 20 0 DFADRP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCO[C@@H](c3cccnc3)C2)CN1C1CC1 ZINC000647245595 431523463 /nfs/dbraw/zinc/52/34/63/431523463.db2.gz QGTONYRBXLLUPC-GFOCRRMGSA-N 2 0 301.434 2.517 20 0 DFADRP C[C@H]1C[C@@H]([NH2+][C@@H]2CCO[C@@H](c3cccnc3)C2)CN1C1CC1 ZINC000647245594 431525695 /nfs/dbraw/zinc/52/56/95/431525695.db2.gz QGTONYRBXLLUPC-AAJLLMFJSA-N 2 0 301.434 2.517 20 0 DFADRP C[NH+]1CCN(c2ncccc2C[NH2+]C2CCC(F)(F)CC2)CC1 ZINC000647176429 431494861 /nfs/dbraw/zinc/49/48/61/431494861.db2.gz HMLBMEAVYDIMEC-UHFFFAOYSA-N 2 0 324.419 2.501 20 0 DFADRP CC[N@@H+]1CCC[C@H](C[NH2+]Cc2cn(C)nc2-c2ccc(C)o2)C1 ZINC000647177183 431496559 /nfs/dbraw/zinc/49/65/59/431496559.db2.gz OUXJTHFFYNVXFQ-OAHLLOKOSA-N 2 0 316.449 2.810 20 0 DFADRP CC[N@@H+]1CC[C@H]([NH2+][C@@H]2CCO[C@@H](c3cccnc3)C2)[C@H](C)C1 ZINC000647339157 431557014 /nfs/dbraw/zinc/55/70/14/431557014.db2.gz JYXCCCKZMFLKLZ-NRSFXHEJSA-N 2 0 303.450 2.622 20 0 DFADRP CC(C)c1ccc(C[NH+]2CCC(C[NH+](C)C)CC2)c(O)c(=O)c1 ZINC000663831738 431558389 /nfs/dbraw/zinc/55/83/89/431558389.db2.gz YAJFJGRALPZASX-UHFFFAOYSA-N 2 0 318.461 2.649 20 0 DFADRP CC[C@@H]([NH2+]C[C@@H]1C[N@H+](C)C[C@H]1c1ccccc1)[C@@H]1CCOC1 ZINC000647343906 431559420 /nfs/dbraw/zinc/55/94/20/431559420.db2.gz FSKVJLJXCXNMGH-AKHDSKFASA-N 2 0 302.462 2.737 20 0 DFADRP C[N@H+](CCN1CCC[C@@]2(CC[NH+](C)C2)C1)Cc1ccc(F)cc1 ZINC000660661371 431535132 /nfs/dbraw/zinc/53/51/32/431535132.db2.gz CTRZZVWZISXDII-IBGZPJMESA-N 2 0 319.468 2.675 20 0 DFADRP CCC(C)(C)[NH+]1CCN(CC[N@H+](C)Cc2ccccc2)CC1 ZINC000653811252 431535865 /nfs/dbraw/zinc/53/58/65/431535865.db2.gz BCSICPBUZPBIKE-UHFFFAOYSA-N 2 0 303.494 2.925 20 0 DFADRP O[C@@H]1CC[N@H+](Cc2ccccc2CNc2[nH+]ccc3[nH]ccc32)C1 ZINC000663787260 431540779 /nfs/dbraw/zinc/54/07/79/431540779.db2.gz GPXZXWICNRSXNE-MRXNPFEDSA-N 2 0 322.412 2.742 20 0 DFADRP CC[NH+]1CCC(CC[NH2+][C@@H](C)c2cc3n(n2)CCCC3)CC1 ZINC000647290595 431540829 /nfs/dbraw/zinc/54/08/29/431540829.db2.gz MFTMASRAAPDFAT-HNNXBMFYSA-N 2 0 304.482 2.992 20 0 DFADRP C[C@@H]([NH2+]Cc1ccc2c(c1)OC(F)(F)O2)C1CC[NH+](C)CC1 ZINC000647316779 431546269 /nfs/dbraw/zinc/54/62/69/431546269.db2.gz RFCZTDOGXMDGTN-LLVKDONJSA-N 2 0 312.360 2.828 20 0 DFADRP Cc1cc(CO)cc(N[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)n1 ZINC000663806466 431548418 /nfs/dbraw/zinc/54/84/18/431548418.db2.gz ZTSGLIOXMMTRDR-KBXCAEBGSA-N 2 0 311.429 2.815 20 0 DFADRP CC[C@H](CC(F)F)C[NH+]1CCC(CO)([NH2+]CC(C)C)CC1 ZINC000660696659 431552060 /nfs/dbraw/zinc/55/20/60/431552060.db2.gz UDRAFTQYOYCDQW-CQSZACIVSA-N 2 0 306.441 2.740 20 0 DFADRP CC[C@@H](CC(F)F)C[NH+]1CCC(CO)([NH2+]CC(C)C)CC1 ZINC000660696657 431553070 /nfs/dbraw/zinc/55/30/70/431553070.db2.gz UDRAFTQYOYCDQW-AWEZNQCLSA-N 2 0 306.441 2.740 20 0 DFADRP C[N@@H+]1CC[C@H]([NH2+][C@@H]2CCO[C@@H](c3cccnc3)C2)[C@H]2CCC[C@H]21 ZINC000647338379 431554166 /nfs/dbraw/zinc/55/41/66/431554166.db2.gz LWYQMTUDPTYEGO-UJWQCDCRSA-N 2 0 315.461 2.764 20 0 DFADRP C[NH+](C)CCCC(C)(C)NC(=O)C1(C[NH+](C)C)CCCCC1 ZINC000653846123 431554470 /nfs/dbraw/zinc/55/44/70/431554470.db2.gz UECUTMFMADDPJU-UHFFFAOYSA-N 2 0 311.514 2.735 20 0 DFADRP CC(C)[C@@H]1C[C@@H]([NH2+]CC2(O)CC[NH+](C)CC2)c2ccccc21 ZINC000278793789 280020568 /nfs/dbraw/zinc/02/05/68/280020568.db2.gz QOQSUKPLRXHMAH-ZWKOTPCHSA-N 2 0 302.462 2.917 20 0 DFADRP CC[C@@H]([NH2+][C@H]1CCN(C2CC[NH+](C)CC2)C1)c1cccs1 ZINC000370633502 280197799 /nfs/dbraw/zinc/19/77/99/280197799.db2.gz HHQRNGNBQPBDIN-GOEBONIOSA-N 2 0 307.507 2.957 20 0 DFADRP CC(C)[C@H]([NH3+])C(=O)NCC1([NH2+][C@@H](C)c2ccccc2)CCCC1 ZINC000236739628 280274542 /nfs/dbraw/zinc/27/45/42/280274542.db2.gz SLJVVCJXCFHJAM-RDJZCZTQSA-N 2 0 317.477 2.750 20 0 DFADRP CC[NH+]1CCN(CC(C)(C)[NH2+]Cc2cccc(SC)c2)CC1 ZINC000660754559 431578570 /nfs/dbraw/zinc/57/85/70/431578570.db2.gz RSEBEIXKMNMFLC-UHFFFAOYSA-N 2 0 321.534 2.914 20 0 DFADRP Cn1cncc1CCC[NH2+][C@@H](Cc1ccccc1)c1ncco1 ZINC000653912277 431581706 /nfs/dbraw/zinc/58/17/06/431581706.db2.gz GRZODXKDECOGLY-KRWDZBQOSA-N 2 0 310.401 2.914 20 0 DFADRP c1cc(C[NH2+][C@@H]2CCc3ccccc3C2)n(-c2cc[nH+]cc2)n1 ZINC000657289872 431650767 /nfs/dbraw/zinc/65/07/67/431650767.db2.gz UMTPSODKVJUJKS-QGZVFWFLSA-N 2 0 304.397 2.914 20 0 DFADRP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCC[N@H+](Cc3scnc3C3CC3)C2)C1 ZINC000650707744 431652835 /nfs/dbraw/zinc/65/28/35/431652835.db2.gz MGLRRVKRLOKGBG-RBSFLKMASA-N 2 0 321.490 2.739 20 0 DFADRP COc1cccc(C[N@@H+]2CCC[C@H]([C@H]3C[C@H]([NH3+])CCO3)C2)c1F ZINC000650707849 431654338 /nfs/dbraw/zinc/65/43/38/431654338.db2.gz ODOJOJIOAXBQSN-YSVLISHTSA-N 2 0 322.424 2.553 20 0 DFADRP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCC[N@H+](Cc3csc(C4CC4)n3)C2)C1 ZINC000650707006 431654743 /nfs/dbraw/zinc/65/47/43/431654743.db2.gz WUFNUKZMHGNEMZ-FMKPAKJESA-N 2 0 321.490 2.739 20 0 DFADRP Cc1ncc(C[N@@H+]2C[C@@H]3CCC[C@]3(C[NH3+])C2)n1-c1ccccc1 ZINC000650709321 431657034 /nfs/dbraw/zinc/65/70/34/431657034.db2.gz RDJVZCXDFBVROG-LPHOPBHVSA-N 2 0 310.445 2.742 20 0 DFADRP Cn1cc(C[N@@H+]2C[C@@H]3CCC[C@]3(C[NH3+])C2)c(-c2cccs2)n1 ZINC000650709099 431657046 /nfs/dbraw/zinc/65/70/46/431657046.db2.gz AQVCJVJDTPNPGX-YOEHRIQHSA-N 2 0 316.474 2.709 20 0 DFADRP [NH3+]C[C@]12CCC[C@H]1C[N@H+](Cc1cnc(-c3ccncc3)s1)C2 ZINC000650709369 431657152 /nfs/dbraw/zinc/65/71/52/431657152.db2.gz WFNYYTDVOYTFKF-YOEHRIQHSA-N 2 0 314.458 2.766 20 0 DFADRP [NH3+]CC1(CC[NH2+]Cc2cc(Br)ccc2F)CC1 ZINC000650711985 431659450 /nfs/dbraw/zinc/65/94/50/431659450.db2.gz LSCIVRWUDHRYPD-UHFFFAOYSA-N 2 0 301.203 2.807 20 0 DFADRP C[C@@H]1CCC[N@H+](Cc2ccc(N3CCCC3)nc2)[C@@H]1CC[NH3+] ZINC000650711467 431659812 /nfs/dbraw/zinc/65/98/12/431659812.db2.gz UOGZIGLBNOWPOG-NVXWUHKLSA-N 2 0 302.466 2.631 20 0 DFADRP C[N@H+](Cc1ccccc1)CC(C)(C)C[NH2+]CCC1(C[NH3+])CC1 ZINC000650712786 431660071 /nfs/dbraw/zinc/66/00/71/431660071.db2.gz UHKYGBVCOQHARQ-UHFFFAOYSA-N 3 0 303.494 2.863 20 0 DFADRP CC[C@H]1C[N@H+](Cc2cccc(OCCCOC)c2)CC[C@H]1[NH3+] ZINC000647498849 431608934 /nfs/dbraw/zinc/60/89/34/431608934.db2.gz RYFLDMXXMMFVHP-FUHWJXTLSA-N 2 0 306.450 2.661 20 0 DFADRP C[C@@H]1CC[N@H+](Cc2ccccc2)CCN1C[C@H]1CCC[NH2+]C1 ZINC000647515489 431613664 /nfs/dbraw/zinc/61/36/64/431613664.db2.gz HRPOLKDJJOLTGM-MJGOQNOKSA-N 2 0 301.478 2.582 20 0 DFADRP Nc1ccc(C[N@@H+]2CCCC[C@H]2[C@@H](C[NH3+])Cc2ccccc2)cn1 ZINC000647532609 431616927 /nfs/dbraw/zinc/61/69/27/431616927.db2.gz UCZVXDHKRMUURE-MOPGFXCFSA-N 2 0 324.472 2.666 20 0 DFADRP CCOc1ccc(C[N@@H+]2C[C@@H](C[NH3+])[C@H](c3ccccc3)C2)nc1 ZINC000647536373 431619195 /nfs/dbraw/zinc/61/91/95/431619195.db2.gz HSPWPFXARIGINR-APWZRJJASA-N 2 0 311.429 2.655 20 0 DFADRP COc1c(O)cccc1C[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647543121 431623800 /nfs/dbraw/zinc/62/38/00/431623800.db2.gz HVNCLXWGSZIZCL-CABCVRRESA-N 2 0 304.434 2.612 20 0 DFADRP CC(C)(C[N@@H+]1C[C@H](C[NH3+])C2(C1)CCOCC2)c1ccccc1 ZINC000647545489 431624549 /nfs/dbraw/zinc/62/45/49/431624549.db2.gz WQSDOGOJZLOXQC-KRWDZBQOSA-N 2 0 302.462 2.652 20 0 DFADRP COc1ccc(C[N@@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)c(OC)c1 ZINC000647543429 431624611 /nfs/dbraw/zinc/62/46/11/431624611.db2.gz NHBPVISWIHUEEV-CVEARBPZSA-N 2 0 318.461 2.915 20 0 DFADRP COCc1cnc(C[N@@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)s1 ZINC000647544232 431625357 /nfs/dbraw/zinc/62/53/57/431625357.db2.gz YKKGMRYTXAMPEC-UONOGXRCSA-N 2 0 309.479 2.501 20 0 DFADRP C[C@H](C[C@H](C)[NH3+])[NH2+]Cc1cnn(Cc2ccccc2Cl)c1 ZINC000647552563 431627509 /nfs/dbraw/zinc/62/75/09/431627509.db2.gz HOCSGPBABAIACE-QWHCGFSZSA-N 2 0 306.841 2.800 20 0 DFADRP Cc1cc(C)n(-c2ccccc2C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)n1 ZINC000647548571 431627718 /nfs/dbraw/zinc/62/77/18/431627718.db2.gz IUSHCZOQVTYJIS-QXAKKESOSA-N 2 0 324.472 2.967 20 0 DFADRP COC[C@H](C)Oc1ccc(C[NH2+]CC(C)(C)C[NH+](C)C)cc1 ZINC000657286472 431648372 /nfs/dbraw/zinc/64/83/72/431648372.db2.gz XXRLJFKMSOLRBT-HNNXBMFYSA-N 2 0 308.466 2.778 20 0 DFADRP C[NH2+]Cc1ccccc1C[NH2+][C@@H](C)CC(=O)N1CCCCCC1 ZINC000650719528 431661770 /nfs/dbraw/zinc/66/17/70/431661770.db2.gz SRJOLIPYWDXWIE-INIZCTEOSA-N 2 0 317.477 2.677 20 0 DFADRP C[NH2+]Cc1ccccc1C[NH2+][C@H]1CCN[C@H](c2ccccc2)C1 ZINC000650720052 431664589 /nfs/dbraw/zinc/66/45/89/431664589.db2.gz DABHGECPOXZWPR-PMACEKPBSA-N 2 0 309.457 2.989 20 0 DFADRP Cc1[nH]c2ncnc(N3CCC[C@@H]([C@H]4CCC[NH2+]C4)C3)c2c1C ZINC000647708404 431664904 /nfs/dbraw/zinc/66/49/04/431664904.db2.gz KWHHFLQKDYERCG-LSDHHAIUSA-N 2 0 313.449 2.791 20 0 DFADRP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCCN2Cc2ncc(Cl)s2)C1 ZINC000650722917 431665168 /nfs/dbraw/zinc/66/51/68/431665168.db2.gz DNYCTDGTKGKKCQ-WOPDTQHZSA-N 2 0 315.870 2.657 20 0 DFADRP Cc1ccccc1C[NH+]1CCC(NCc2cnn3c2CCC3)CC1 ZINC000657312590 431669933 /nfs/dbraw/zinc/66/99/33/431669933.db2.gz ADDXRVBAUOMTFJ-UHFFFAOYSA-N 2 0 324.472 2.892 20 0 DFADRP CCCn1nccc1C[NH2+]Cc1ccc(OCC[NH+](C)C)cc1 ZINC000657314841 431670098 /nfs/dbraw/zinc/67/00/98/431670098.db2.gz BZFNGHBJNFPOJQ-UHFFFAOYSA-N 2 0 316.449 2.523 20 0 DFADRP C[C@@H]1CCCC[C@@H]1OCC[NH2+]Cc1ccnn1-c1cc[nH+]cc1 ZINC000657317323 431673694 /nfs/dbraw/zinc/67/36/94/431673694.db2.gz CLQAWZJLTCFABY-QAPCUYQASA-N 2 0 314.433 2.952 20 0 DFADRP C[C@H]1C[C@H](C)C[NH+](C(C)(C)CNCc2cnc3n2CCC3)C1 ZINC000657325976 431675133 /nfs/dbraw/zinc/67/51/33/431675133.db2.gz QJKLRNDALCAANR-GJZGRUSLSA-N 2 0 304.482 2.675 20 0 DFADRP Cc1c(Br)cncc1C[NH2+]CCCCn1ccnc1 ZINC000657323767 431676640 /nfs/dbraw/zinc/67/66/40/431676640.db2.gz MFIVUEGZGXXYSL-UHFFFAOYSA-N 2 0 323.238 2.919 20 0 DFADRP C[C@H]([NH2+]CCC1(C[NH3+])CC1)c1ncc(Br)cc1F ZINC000650746649 431678088 /nfs/dbraw/zinc/67/80/88/431678088.db2.gz HNSZXVCRZWEJOE-VIFPVBQESA-N 2 0 316.218 2.763 20 0 DFADRP CCn1nc(C)c([C@H](C)[NH2+]Cc2ccc(C[NH3+])cc2F)c1C ZINC000650753563 431679536 /nfs/dbraw/zinc/67/95/36/431679536.db2.gz PZYDZIOKJYWMGD-NSHDSACASA-N 2 0 304.413 2.968 20 0 DFADRP [NH3+]Cc1ccc(CN[C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)c(F)c1 ZINC000650755936 431681795 /nfs/dbraw/zinc/68/17/95/431681795.db2.gz PUAIBKWKMJLFHD-CGTJXYLNSA-N 2 0 305.441 2.685 20 0 DFADRP COC[C@@H](C)Oc1ccc(C[NH2+]C[C@H](C)Cn2ccnc2)cc1 ZINC000657334362 431681875 /nfs/dbraw/zinc/68/18/75/431681875.db2.gz XALKOPHEZNQISV-JKSUJKDBSA-N 2 0 317.433 2.723 20 0 DFADRP COC[C@H](C)Oc1ccc(C[NH2+]C[C@@H]2CC[N@@H+](C(C)C)C2)cc1 ZINC000657336139 431682424 /nfs/dbraw/zinc/68/24/24/431682424.db2.gz XJIRINLTWWDHCZ-WMZOPIPTSA-N 2 0 320.477 2.920 20 0 DFADRP [NH3+]Cc1ccc(CN[C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)c(F)c1 ZINC000650755937 431682543 /nfs/dbraw/zinc/68/25/43/431682543.db2.gz PUAIBKWKMJLFHD-KBAYOESNSA-N 2 0 305.441 2.685 20 0 DFADRP [NH3+]Cc1ccc(CN[C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)c(F)c1 ZINC000650755935 431683042 /nfs/dbraw/zinc/68/30/42/431683042.db2.gz PUAIBKWKMJLFHD-BPQIPLTHSA-N 2 0 305.441 2.685 20 0 DFADRP C[C@H]([NH2+]CCC1CC[NH2+]CC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000650762676 431683837 /nfs/dbraw/zinc/68/38/37/431683837.db2.gz HSMLKOINMZIDRG-FXAWDEMLSA-N 3 0 315.505 2.876 20 0 DFADRP c1ccc([C@H]([NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)[C@@H]2CCCO2)cc1 ZINC000647786518 431684997 /nfs/dbraw/zinc/68/49/97/431684997.db2.gz QZHOCCVOHKSIJN-LFDJNIOPSA-N 2 0 300.446 2.884 20 0 DFADRP Cn1ccnc1[C@H]([NH2+]CCC1CC[NH2+]CC1)c1cccc(F)c1 ZINC000650762600 431685252 /nfs/dbraw/zinc/68/52/52/431685252.db2.gz FUHHDLNNIRDQQP-QGZVFWFLSA-N 2 0 316.424 2.628 20 0 DFADRP CN(C)c1cc(C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)c2ccccc2n1 ZINC000647788267 431685460 /nfs/dbraw/zinc/68/54/60/431685460.db2.gz GPHMHPWCVVMSCO-ZMSDIMECSA-N 2 0 324.472 2.779 20 0 DFADRP Fc1ccc([C@H]([NH2+]CCC2CC[NH2+]CC2)c2ncc[nH]2)cc1 ZINC000650763151 431685762 /nfs/dbraw/zinc/68/57/62/431685762.db2.gz SHRYCJXRQXUTKE-INIZCTEOSA-N 2 0 302.397 2.618 20 0 DFADRP Fc1ccc(N2CC[C@H](C[NH2+][C@@H]3CC[C@H]4C[NH2+]C[C@@H]4C3)C2)cc1 ZINC000647790256 431686456 /nfs/dbraw/zinc/68/64/56/431686456.db2.gz VDBIOZOLUJOMPH-MUQADHOPSA-N 2 0 317.452 2.630 20 0 DFADRP Fc1cc(F)c(F)c(C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)c1F ZINC000647789587 431686827 /nfs/dbraw/zinc/68/68/27/431686827.db2.gz HQZQDPLYZIWHDZ-IVZWLZJFSA-N 2 0 302.315 2.721 20 0 DFADRP CC(C)C(=O)Nc1ccc(C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000647788947 431688369 /nfs/dbraw/zinc/68/83/69/431688369.db2.gz VTVQWGXGVBUCMX-LZLYRXPVSA-N 2 0 315.461 2.759 20 0 DFADRP Cn1cc(-c2ccccc2C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)cn1 ZINC000647794036 431688958 /nfs/dbraw/zinc/68/89/58/431688958.db2.gz OZSAESPPXDUCPA-YXJHDRRASA-N 2 0 310.445 2.565 20 0 DFADRP CCCCOc1ncccc1C[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000647793167 431689019 /nfs/dbraw/zinc/68/90/19/431689019.db2.gz NEWIRZOAVAXQGW-USXIJHARSA-N 2 0 303.450 2.738 20 0 DFADRP Clc1ccc(COCC[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC000647794276 431690150 /nfs/dbraw/zinc/69/01/50/431690150.db2.gz WYAMOGWHSLLDKA-HLLBOEOZSA-N 2 0 308.853 2.834 20 0 DFADRP COc1ccc(C[C@H](C)C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000647793769 431690323 /nfs/dbraw/zinc/69/03/23/431690323.db2.gz HUWHOIFFKYLEQU-DZJNRPSUSA-N 2 0 302.462 2.852 20 0 DFADRP COc1cccc([C@H]2C[C@H]([NH2+][C@@H]3CC[C@H]4C[NH2+]C[C@@H]4C3)C2)c1 ZINC000647798488 431692367 /nfs/dbraw/zinc/69/23/67/431692367.db2.gz RJYDWLRKLYSMTD-TXTZMMAHSA-N 2 0 300.446 2.919 20 0 DFADRP CC[C@@H]1CCC[C@@H]([NH2+]CCC[N@@H+]2CCC[C@@H](C(N)=O)C2)CC1 ZINC000657350357 431693155 /nfs/dbraw/zinc/69/31/55/431693155.db2.gz VOGJJWALKSQXRW-BRWVUGGUSA-N 2 0 309.498 2.522 20 0 DFADRP CC(C)OCC[NH+]1CCC(Nc2[nH+]ccc3[nH]ccc32)CC1 ZINC000647870642 431713552 /nfs/dbraw/zinc/71/35/52/431713552.db2.gz AWPSHEQPGXOIEK-UHFFFAOYSA-N 2 0 302.422 2.864 20 0 DFADRP NC(=O)[C@@H]1CCC[N@H+](CCC[NH2+]C2CCC(C3CCC3)CC2)C1 ZINC000657349400 431693619 /nfs/dbraw/zinc/69/36/19/431693619.db2.gz FSRFWLNCNLOETH-LXPRWKDFSA-N 2 0 321.509 2.522 20 0 DFADRP Cc1cc(N2CC[NH+]([C@H]3CCOC3)CC2)c2cc(F)ccc2[nH+]1 ZINC000371105345 280559506 /nfs/dbraw/zinc/55/95/06/280559506.db2.gz BYFPKOMNVOVEMV-HNNXBMFYSA-N 2 0 315.392 2.593 20 0 DFADRP c1ccc([C@H]2C[C@@H]2C[NH2+][C@@H]2CCOC[C@H]2[C@@H]2CCC[NH2+]2)cc1 ZINC000647801172 431693914 /nfs/dbraw/zinc/69/39/14/431693914.db2.gz QESGSDPEBKQQPJ-ZSXDVEMLSA-N 2 0 300.446 2.537 20 0 DFADRP CCOc1ccc(OCC[N@H+](C2CC2)C2CC[NH2+]CC2)cc1 ZINC000647814338 431696724 /nfs/dbraw/zinc/69/67/24/431696724.db2.gz JJJLXKPREDARBW-UHFFFAOYSA-N 2 0 304.434 2.681 20 0 DFADRP CC[C@H]1C[C@@H]([NH2+]Cc2ccc(OCCC[NH+](C)C)cc2)CO1 ZINC000657352671 431697227 /nfs/dbraw/zinc/69/72/27/431697227.db2.gz KNNJGDXSAUPDKJ-SJORKVTESA-N 2 0 306.450 2.674 20 0 DFADRP CC[C@H]1CCC[C@H]([NH2+]C2CCN(CCC(=O)N(C)C)CC2)CC1 ZINC000657359715 431700737 /nfs/dbraw/zinc/70/07/37/431700737.db2.gz XOQCGUSYIIUVNB-IRXDYDNUSA-N 2 0 323.525 2.878 20 0 DFADRP CC[C@@H]1C[C@@H]([NH2+]Cc2ccc(OCC[NH+]3CCCC3)cc2)CO1 ZINC000657358482 431700792 /nfs/dbraw/zinc/70/07/92/431700792.db2.gz WYEFDIRWHONPCT-QZTJIDSGSA-N 2 0 318.461 2.818 20 0 DFADRP c1cc(C[NH2+]C[C@H]2OCCc3ccccc32)n(-c2cc[nH+]cc2)n1 ZINC000657357663 431701287 /nfs/dbraw/zinc/70/12/87/431701287.db2.gz CRZORTAEVFDWDQ-LJQANCHMSA-N 2 0 320.396 2.671 20 0 DFADRP CCc1cccc2cc(C[NH2+]CC3(O)CC[NH+](C)CC3)oc21 ZINC000657370223 431705022 /nfs/dbraw/zinc/70/50/22/431705022.db2.gz AGIPUTJJTFKYMU-UHFFFAOYSA-N 2 0 302.418 2.542 20 0 DFADRP Cc1ccc2cc(C[NH2+]C[C@@H](C)CN3CCOCC3)[nH]c2c1 ZINC000657369947 431705210 /nfs/dbraw/zinc/70/52/10/431705210.db2.gz JLGCDXVRWTUITM-OAHLLOKOSA-N 2 0 301.434 2.534 20 0 DFADRP COc1cc(CC[NH2+]Cc2ccnn2-c2cc[nH+]cc2)ccc1C ZINC000657373745 431709282 /nfs/dbraw/zinc/70/92/82/431709282.db2.gz AYRMLUJJQPAALL-UHFFFAOYSA-N 2 0 322.412 2.917 20 0 DFADRP O[C@@H]1CC[N@H+](Cc2ccc(CNc3[nH+]ccc4[nH]ccc43)cc2)C1 ZINC000664234770 431709278 /nfs/dbraw/zinc/70/92/78/431709278.db2.gz AMWYJJZMKKZCQT-MRXNPFEDSA-N 2 0 322.412 2.742 20 0 DFADRP C[C@@H]([NH3+])[C@@H]1CN(CCCOc2ccc3ccccc3c2)CCO1 ZINC000647863790 431711284 /nfs/dbraw/zinc/71/12/84/431711284.db2.gz KCZBIKYZKGMOQW-BEFAXECRSA-N 2 0 314.429 2.657 20 0 DFADRP COC[C@H](C)Oc1ccc(C[NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)cc1 ZINC000657376552 431711331 /nfs/dbraw/zinc/71/13/31/431711331.db2.gz RYFDRBCWBYOJDR-YQQAZPJKSA-N 2 0 306.450 2.673 20 0 DFADRP C[NH2+]Cc1ccccc1C[NH2+]Cc1cc(OC)ccc1OC ZINC000650718574 431662333 /nfs/dbraw/zinc/66/23/33/431662333.db2.gz RGITVRFSFGVBKP-UHFFFAOYSA-N 2 0 300.402 2.713 20 0 DFADRP COc1cccc2c1CC[C@@H]([NH2+]Cc1ccc(C[NH3+])cc1F)C2 ZINC000650716680 431663209 /nfs/dbraw/zinc/66/32/09/431663209.db2.gz GRQVKCTTWMWPSF-MRXNPFEDSA-N 2 0 314.404 2.940 20 0 DFADRP C[NH+](C)CCc1ccc(NCc2ccnn2-c2cc[nH+]cc2)cc1 ZINC000657407367 431731988 /nfs/dbraw/zinc/73/19/88/431731988.db2.gz KVDSIZBQZIRYOA-UHFFFAOYSA-N 2 0 321.428 2.984 20 0 DFADRP CC[C@@H]1C[N@H+](CCC(=O)Nc2ccc(Cl)cc2)CC[C@H]1[NH3+] ZINC000647937433 431737820 /nfs/dbraw/zinc/73/78/20/431737820.db2.gz ZBWBEWDGWXNNBS-IUODEOHRSA-N 2 0 309.841 2.728 20 0 DFADRP CCN(CCO)CC[NH2+]Cc1ccc(-c2scnc2C)cc1 ZINC000657437837 431751038 /nfs/dbraw/zinc/75/10/38/431751038.db2.gz LOVVRXWFUNMPHQ-UHFFFAOYSA-N 2 0 319.474 2.522 20 0 DFADRP CC(C)(CC[NH+]1CCCCCC1)NCc1cnc2n1CCC2 ZINC000657440080 431753165 /nfs/dbraw/zinc/75/31/65/431753165.db2.gz RLVVTVBUNMYUFE-UHFFFAOYSA-N 2 0 304.482 2.964 20 0 DFADRP CC(=O)Nc1cccc(C[N@@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)c1 ZINC000647978267 431760898 /nfs/dbraw/zinc/76/08/98/431760898.db2.gz PBRLNOJYPOGPRK-ZWKOTPCHSA-N 2 0 315.461 2.857 20 0 DFADRP O=C(C[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1)NC1CCCCCC1 ZINC000647975269 431761844 /nfs/dbraw/zinc/76/18/44/431761844.db2.gz TYYQAXMLQZJDPP-IAGOWNOFSA-N 2 0 321.509 2.537 20 0 DFADRP c1coc(-c2noc(C[N@@H+]3CCC[C@H]([C@@H]4CCC[NH2+]C4)C3)n2)c1 ZINC000647975837 431763438 /nfs/dbraw/zinc/76/34/38/431763438.db2.gz GPCQAMIODCIOKO-KGLIPLIRSA-N 2 0 316.405 2.541 20 0 DFADRP C[N@H+](CCCc1cc(-c2cccc(F)c2)n[nH]1)C[C@@H]1CC[NH2+]C1 ZINC000647881525 431716080 /nfs/dbraw/zinc/71/60/80/431716080.db2.gz CPVOARKWRLROMI-CQSZACIVSA-N 2 0 316.424 2.690 20 0 DFADRP CCO[C@H](CC[NH2+]Cc1ccnn1-c1cc[nH+]cc1)C(C)C ZINC000657384920 431716712 /nfs/dbraw/zinc/71/67/12/431716712.db2.gz VWFMTIVAGANRLT-QGZVFWFLSA-N 2 0 302.422 2.808 20 0 DFADRP C(CC1CC[NH2+]CC1)C[NH+]1CCC(OC[C@H]2CCCCO2)CC1 ZINC000647890687 431719349 /nfs/dbraw/zinc/71/93/49/431719349.db2.gz DDVFKYBWGWHRAE-LJQANCHMSA-N 2 0 324.509 2.816 20 0 DFADRP C[NH+](C)CCOc1ccc(C[NH2+][C@@H]2CCN(C(C)(C)C)C2)cc1 ZINC000657562734 431811240 /nfs/dbraw/zinc/81/12/40/431811240.db2.gz ONJWTFGHZFXPCC-QGZVFWFLSA-N 2 0 319.493 2.589 20 0 DFADRP Cc1nn(-c2cc[nH+]cc2)cc1CN[C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000657564706 431811366 /nfs/dbraw/zinc/81/13/66/431811366.db2.gz YSXBNGUYUPEAOO-MRXNPFEDSA-N 2 0 313.449 2.538 20 0 DFADRP C[C@@H](CN(C)CCC[NH+](C)C)[NH2+]Cc1cccc2cccnc21 ZINC000657572928 431815691 /nfs/dbraw/zinc/81/56/91/431815691.db2.gz GFABFZXFUBHYLS-INIZCTEOSA-N 2 0 314.477 2.596 20 0 DFADRP CO[C@@](C)(C[NH2+]Cc1ccnn1-c1cc[nH+]cc1)c1ccccc1 ZINC000657481704 431776418 /nfs/dbraw/zinc/77/64/18/431776418.db2.gz WLHIHTHQRBXOJK-IBGZPJMESA-N 2 0 322.412 2.919 20 0 DFADRP Cc1cccnc1CCC[NH2+]Cc1ccnn1-c1cc[nH+]cc1 ZINC000657481109 431777834 /nfs/dbraw/zinc/77/78/34/431777834.db2.gz JNMPXMBHOUDUFP-UHFFFAOYSA-N 2 0 307.401 2.693 20 0 DFADRP c1[nH+]cn2cc(C[NH2+]Cc3ccc(O[C@H]4CCOC4)cc3)ccc12 ZINC000657488919 431782968 /nfs/dbraw/zinc/78/29/68/431782968.db2.gz XPFRCDKNTDKYNU-IBGZPJMESA-N 2 0 323.396 2.792 20 0 DFADRP CC1CCC([NH2+]Cc2ccc(C[N@@H+]3CC[C@@H](O)C3)cc2)CC1 ZINC000657593689 431821081 /nfs/dbraw/zinc/82/10/81/431821081.db2.gz BJFNZFFZURUGHN-XUJQIHCRSA-N 2 0 302.462 2.922 20 0 DFADRP Cc1ccsc1C[NH2+]Cc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1 ZINC000657595294 431821103 /nfs/dbraw/zinc/82/11/03/431821103.db2.gz OJXSVEFQFREJNR-QGZVFWFLSA-N 2 0 316.470 2.913 20 0 DFADRP C[C@H]([NH2+]Cc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1)[C@@H]1CC1(C)C ZINC000657597278 431821517 /nfs/dbraw/zinc/82/15/17/431821517.db2.gz SADYJWQYYWLHCL-WBAXXEDZSA-N 2 0 302.462 2.777 20 0 DFADRP C[C@@H]1CC[C@H]([NH2+]Cc2ccc(C[N@@H+]3CC[C@H](O)C3)cc2)CS1 ZINC000657598014 431822160 /nfs/dbraw/zinc/82/21/60/431822160.db2.gz WYSAXGJHFAYVSS-JLSDUUJJSA-N 2 0 320.502 2.627 20 0 DFADRP Cc1ncsc1C[NH2+]CC1CC[NH+](Cc2ccncc2)CC1 ZINC000657613732 431825228 /nfs/dbraw/zinc/82/52/28/431825228.db2.gz QAXUYGOWGMWOLA-UHFFFAOYSA-N 2 0 316.474 2.848 20 0 DFADRP c1ccc([C@@H]2CO[C@H](C[NH2+][C@H]3CC[N@@H+]4CCC[C@H]4C3)C2)cc1 ZINC000657657135 431833788 /nfs/dbraw/zinc/83/37/88/431833788.db2.gz WBMDWUHOMFLKGH-VJANTYMQSA-N 2 0 300.446 2.776 20 0 DFADRP Cc1ccc2c(c1)[C@@H]([NH2+]CCN1CC[N@H+](C)C(C)(C)C1)[C@@H](C)C2 ZINC000282397554 281091946 /nfs/dbraw/zinc/09/19/46/281091946.db2.gz RLWPLWAPKIEHDT-LPHOPBHVSA-N 2 0 315.505 2.844 20 0 DFADRP CC[C@H]1CN(C[C@@]2(C)CC[NH2+]C2)CC[N@@H+]1Cc1ccccc1 ZINC000261892524 281169417 /nfs/dbraw/zinc/16/94/17/281169417.db2.gz UEJLUGIUWXMUPT-OALUTQOASA-N 2 0 301.478 2.582 20 0 DFADRP CC[C@H]1[NH2+]CC[C@@H]1C(=O)NCc1ccccc1C[NH+](CC)CC ZINC000289833875 281246598 /nfs/dbraw/zinc/24/65/98/281246598.db2.gz DSEUUTJCTFZDND-ZWKOTPCHSA-N 2 0 317.477 2.533 20 0 DFADRP Cc1cccc2c1[nH+]cc(C)c2N1CC[N@@H+](C[C@H](C)O)[C@@H](C)C1 ZINC000248399561 281308100 /nfs/dbraw/zinc/30/81/00/281308100.db2.gz VYZHWFRKYCBKCV-HOTGVXAUSA-N 2 0 313.445 2.743 20 0 DFADRP Cc1ccccc1C[NH+]1CCCN(CC[C@@H]2CCC[N@H+]2C)CC1 ZINC000367215706 281342249 /nfs/dbraw/zinc/34/22/49/281342249.db2.gz LQVZLFUINGCFHX-FQEVSTJZSA-N 2 0 315.505 2.987 20 0 DFADRP CCC(CC)(C[NH3+])C(=O)NC[C@@H]([NH3+])c1ccc(C(C)C)cc1 ZINC000262064906 282070595 /nfs/dbraw/zinc/07/05/95/282070595.db2.gz WFVWAPCVKQBLRQ-MRXNPFEDSA-N 2 0 305.466 2.691 20 0 DFADRP CC(C)[N@H+](C)CC(=O)NC[C@@H]1CCC[NH+](C)[C@@H]1c1cccs1 ZINC000363335389 289078911 /nfs/dbraw/zinc/07/89/11/289078911.db2.gz PLIKQSNIZUPAQK-YOEHRIQHSA-N 2 0 323.506 2.587 20 0 DFADRP C[NH+](C)CC1(C(=O)NC2CC[NH+](C(C)(C)C)CC2)CCCCC1 ZINC000358626028 289082534 /nfs/dbraw/zinc/08/25/34/289082534.db2.gz CVXAFDYIDGIKLM-UHFFFAOYSA-N 2 0 323.525 2.878 20 0 DFADRP CCCC[C@H](C[NH3+])NC(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C ZINC000415783461 289136836 /nfs/dbraw/zinc/13/68/36/289136836.db2.gz GDOLCHOJOHXKLW-NVXWUHKLSA-N 2 0 318.465 2.875 20 0 DFADRP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@@H+]2CCSC(C)(C)C ZINC000370172468 289332817 /nfs/dbraw/zinc/33/28/17/289332817.db2.gz KXJBGRZZISFUGP-QLFBSQMISA-N 2 0 300.512 2.702 20 0 DFADRP C[N@@H+]1CC[C@H]([NH2+]C[C@]2(C)OCCc3sccc32)[C@H]2CCC[C@H]21 ZINC000353630070 290220956 /nfs/dbraw/zinc/22/09/56/290220956.db2.gz LTXXMOADTCSZPD-VUNQQRPYSA-N 2 0 320.502 2.998 20 0 DFADRP CC(C)[NH+]1CCC(N(C)C(=O)[C@H](C)[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC000435940455 296980779 /nfs/dbraw/zinc/98/07/79/296980779.db2.gz RCPMAFXVJKIAMQ-OAGGEKHMSA-N 2 0 309.498 2.579 20 0 DFADRP C[N@@H+]1CC[C@](O)(CNCc2cc(Cl)cc(C(F)(F)F)c2)C1 ZINC000436415771 297001745 /nfs/dbraw/zinc/00/17/45/297001745.db2.gz UIUHXZJGGMGGPF-ZDUSSCGKSA-N 2 0 322.758 2.515 20 0 DFADRP CC(C)CC[C@](C)(O)C[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000436469477 297004531 /nfs/dbraw/zinc/00/45/31/297004531.db2.gz BYVZLQJSHNTHJI-SFHVURJKSA-N 2 0 305.466 2.827 20 0 DFADRP Cc1cc(N2CCC([N@@H+](C)C[C@@H](C)O)CC2)c2ccccc2[nH+]1 ZINC000436442344 297003753 /nfs/dbraw/zinc/00/37/53/297003753.db2.gz BCCFGWDDHJGSLQ-OAHLLOKOSA-N 2 0 313.445 2.825 20 0 DFADRP CCOc1ccc(C[NH+]2CCC(OCC[NH+](C)C)CC2)cc1F ZINC000494982124 299895335 /nfs/dbraw/zinc/89/53/35/299895335.db2.gz VHBPITKOXKDGHU-UHFFFAOYSA-N 2 0 324.440 2.767 20 0 DFADRP C[C@@H]1C[C@H]([NH2+]Cc2ccc(C[NH+]3CCC(O)CC3)cc2)[C@H]1C ZINC000495088493 299902749 /nfs/dbraw/zinc/90/27/49/299902749.db2.gz DWYNWESXZYSFRD-VCBZYWHSSA-N 2 0 302.462 2.777 20 0 DFADRP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(C[NH+]3CCC(O)CC3)cc2)[C@H]1C ZINC000495088494 299902830 /nfs/dbraw/zinc/90/28/30/299902830.db2.gz DWYNWESXZYSFRD-ZRGWGRIASA-N 2 0 302.462 2.777 20 0 DFADRP COc1ccc(C)cc1[C@@H](C)[NH2+]CCCC[NH+]1CCN(C)CC1 ZINC000154379513 295298872 /nfs/dbraw/zinc/29/88/72/295298872.db2.gz HNPIBJBALHYLNQ-QGZVFWFLSA-N 2 0 319.493 2.682 20 0 DFADRP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@H]1CCSc2ccc(F)cc21 ZINC000154887926 295308504 /nfs/dbraw/zinc/30/85/04/295308504.db2.gz MBWBHWCYISMVNB-CJNGLKHVSA-N 2 0 323.481 2.588 20 0 DFADRP CC(C)[C@H](CCc1ccccc1)[NH2+][C@@H](C)CN1CC[NH+](C)CC1 ZINC000155081253 295312723 /nfs/dbraw/zinc/31/27/23/295312723.db2.gz KQXYPDKIAYAIBQ-ICSRJNTNSA-N 2 0 317.521 2.869 20 0 DFADRP CC(C)[C@@H](CCc1ccccc1)[NH2+][C@H](C)CN1CC[NH+](C)CC1 ZINC000155081344 295312750 /nfs/dbraw/zinc/31/27/50/295312750.db2.gz KQXYPDKIAYAIBQ-UYAOXDASSA-N 2 0 317.521 2.869 20 0 DFADRP [NH3+][C@@H]1CCC[C@H]1CC(=O)NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000261815030 295314928 /nfs/dbraw/zinc/31/49/28/295314928.db2.gz SBRBUTMBZYXGBE-RRFJBIMHSA-N 2 0 321.490 2.519 20 0 DFADRP CCc1ccc([C@@H](C)[NH2+]C[C@@H](C)N2CC[NH+](CC)CC2)cc1 ZINC000155581685 295321408 /nfs/dbraw/zinc/32/14/08/295321408.db2.gz VIFHUWSBKHQAIG-IAGOWNOFSA-N 2 0 303.494 2.926 20 0 DFADRP CCC(C)(C)[C@H]1CCC[N@@H+]1CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000156754674 295340603 /nfs/dbraw/zinc/34/06/03/295340603.db2.gz QASRKOZOKKCXEU-QGZVFWFLSA-N 2 0 321.509 2.630 20 0 DFADRP C[C@H]1CCC[N@H+](CCCC[NH2+]C2CCN(CC(F)F)CC2)C1 ZINC000157927257 295355645 /nfs/dbraw/zinc/35/56/45/295355645.db2.gz GNMKTJXUXSEAOD-HNNXBMFYSA-N 2 0 317.468 2.818 20 0 DFADRP CC(C)CNC(=O)C[NH+]1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000158877822 295368629 /nfs/dbraw/zinc/36/86/29/295368629.db2.gz MYLDKCLXTAYOGD-KRWDZBQOSA-N 2 0 323.525 2.735 20 0 DFADRP CCCCC[NH+]1CCC(C(=O)NCCC[NH+]2CCCCC2)CC1 ZINC000159345019 295375558 /nfs/dbraw/zinc/37/55/58/295375558.db2.gz CRIWXCGOZAYSDM-UHFFFAOYSA-N 2 0 323.525 2.881 20 0 DFADRP C[NH+]1CCC(N2CC[C@@H]([NH2+][C@@H]3[C@@H]4CCCC[C@@H]4C3(C)C)C2)CC1 ZINC000363749431 295440399 /nfs/dbraw/zinc/44/03/99/295440399.db2.gz KYLBOIBQJILXNE-OQIJWPOYSA-N 2 0 319.537 2.959 20 0 DFADRP CC1=C[C@H](C)C[C@@H](C[NH2+][C@H]2CCN(C3CC[NH+](C)CC3)C2)C1 ZINC000368088312 295456830 /nfs/dbraw/zinc/45/68/30/295456830.db2.gz GJRUCLSDMIAWKF-JQHSSLGASA-N 2 0 305.510 2.737 20 0 DFADRP C[C@@H]([NH2+][C@@H]1CCN(C2CC[NH+](C)CC2)C1)c1cccc(F)c1F ZINC000378449523 295477848 /nfs/dbraw/zinc/47/78/48/295477848.db2.gz GCHJZUYCGOIQNV-ZIAGYGMSSA-N 2 0 323.431 2.784 20 0 DFADRP COc1ccc([C@H](C)[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)c(OC)c1 ZINC000400958866 295499003 /nfs/dbraw/zinc/49/90/03/295499003.db2.gz KIQRKESOYPBRLW-ZQDZILKHSA-N 2 0 304.434 2.743 20 0 DFADRP COC(=O)c1cc(C[NH+]2CCC(CC[NH+](C)C)CC2)cs1 ZINC000411193154 295530607 /nfs/dbraw/zinc/53/06/07/295530607.db2.gz SCTLQUVJXYGUKG-UHFFFAOYSA-N 2 0 310.463 2.698 20 0 DFADRP c1ncc(CC[NH+]2CCC(CCC[NH+]3CCOCC3)CC2)s1 ZINC000411498952 295542927 /nfs/dbraw/zinc/54/29/27/295542927.db2.gz QLOXTFHRVJCBPW-UHFFFAOYSA-N 2 0 323.506 2.510 20 0 DFADRP CC(C)[C@H]1CCCC[C@H]1[NH2+]CC(=O)NC1CC[NH+](C(C)C)CC1 ZINC000411520581 295544371 /nfs/dbraw/zinc/54/43/71/295544371.db2.gz QPDBTRPROOJOIS-QZTJIDSGSA-N 2 0 323.525 2.780 20 0 DFADRP CO[C@@H]1C[NH+](Cc2ccc(C[NH+]3CCCCC3)cc2)C[C@H]1OC ZINC000411628620 295549866 /nfs/dbraw/zinc/54/98/66/295549866.db2.gz WMBRIJLQKMKZQU-RTBURBONSA-N 2 0 318.461 2.518 20 0 DFADRP CSC1(C[NH2+][C@@H]2CCCC23CCOCC3)CC[NH+](C)CC1 ZINC000353617707 295582792 /nfs/dbraw/zinc/58/27/92/295582792.db2.gz FATWHOYANVJIKK-OAHLLOKOSA-N 2 0 312.523 2.753 20 0 DFADRP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)[C@H]1CCC[NH+]1C1CCCC1 ZINC000438565169 297098802 /nfs/dbraw/zinc/09/88/02/297098802.db2.gz BTJJCDXAAYPDOG-SOLBZPMBSA-N 2 0 321.509 2.630 20 0 DFADRP CC[C@H]1C[NH+](CC(C)C[N@@H+]2CCCO[C@@H](CC)C2)CCCO1 ZINC000439486708 297128695 /nfs/dbraw/zinc/12/86/95/297128695.db2.gz MZOHQGJHPARPMA-ROUUACIJSA-N 2 0 312.498 2.624 20 0 DFADRP C[N@@H+]1CCN(CCNc2cc[nH+]c3cc(F)ccc23)CC1(C)C ZINC000440651870 297160679 /nfs/dbraw/zinc/16/06/79/297160679.db2.gz LMQMLYRIMXMLTB-UHFFFAOYSA-N 2 0 316.424 2.812 20 0 DFADRP CC[N@@H+]1CC[C@@H]([NH+](C)CCC(=O)N(C)c2ccccc2)C[C@H]1C ZINC000441150307 297173379 /nfs/dbraw/zinc/17/33/79/297173379.db2.gz CYANHOXCABDTSR-SJLPKXTDSA-N 2 0 317.477 2.844 20 0 DFADRP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@@H+]2CCCOc1ccccc1 ZINC000441172508 297174317 /nfs/dbraw/zinc/17/43/17/297174317.db2.gz HEEOMGBHYUSBQM-QRQLOZEOSA-N 2 0 318.461 2.639 20 0 DFADRP CC[C@H](C)NC(=O)[C@@H]1C[C@H](C)[N@H+](C[C@H](C)[NH3+])[C@@H]2CCCC[C@@H]12 ZINC000442664200 297199624 /nfs/dbraw/zinc/19/96/24/297199624.db2.gz LSTWOYKMMMBGOR-NQLMQOPMSA-N 2 0 309.498 2.518 20 0 DFADRP C[C@@H]1C[C@H](C[NH3+])C[N@@H+]1CCc1nc(-c2ccc(Cl)cc2)no1 ZINC000442788786 297206324 /nfs/dbraw/zinc/20/63/24/297206324.db2.gz IZMODPCAWJAIDH-VXGBXAGGSA-N 2 0 320.824 2.602 20 0 DFADRP C[C@@H]1CCC[C@@H]([NH+]2CCC([NH2+]CC3([S@@](C)=O)CC3)CC2)C1 ZINC000442797829 297206532 /nfs/dbraw/zinc/20/65/32/297206532.db2.gz HWFXZBCMKJMQMN-IUSZMWJPSA-N 2 0 312.523 2.530 20 0 DFADRP CC[NH+](CC)CCOCC[NH2+][C@@H]1Cc2[nH]c3ccccc3c2C1 ZINC000442841743 297208170 /nfs/dbraw/zinc/20/81/70/297208170.db2.gz OUXBUDNHVNMPLW-HNNXBMFYSA-N 2 0 315.461 2.583 20 0 DFADRP CCc1ccc(NC(=O)[C@@H](C)[N@@H+]2CCC[C@H](CC[NH3+])C2)cc1 ZINC000443056535 297213590 /nfs/dbraw/zinc/21/35/90/297213590.db2.gz CWAFHYYLUJZBLR-GDBMZVCRSA-N 2 0 303.450 2.637 20 0 DFADRP CC(C)[C@H](NC(=O)C[N@@H+]1CCC[C@@H](CC[NH3+])C1)c1ccccc1 ZINC000443058438 297213829 /nfs/dbraw/zinc/21/38/29/297213829.db2.gz ADHLTNHNOOPUIS-LPHOPBHVSA-N 2 0 317.477 2.561 20 0 DFADRP CCN(CC)C(=O)[C@@H](c1ccccc1)[N@@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000443058233 297213943 /nfs/dbraw/zinc/21/39/43/297213943.db2.gz MRMCBMOEUCSWDQ-FUHWJXTLSA-N 2 0 317.477 2.657 20 0 DFADRP CCC[C@@H](NC(=O)C[N@@H+]1CCC[C@@H](CC[NH3+])C1)c1ccccc1 ZINC000443060873 297214500 /nfs/dbraw/zinc/21/45/00/297214500.db2.gz PXYMRJRIKGUTJA-FUHWJXTLSA-N 2 0 317.477 2.705 20 0 DFADRP Cc1ccc([C@H](C)NC(=O)C[N@@H+]2CCC[C@@H](CC[NH3+])C2)cc1C ZINC000443068430 297214812 /nfs/dbraw/zinc/21/48/12/297214812.db2.gz ICOBGTUZEJCNLE-IRXDYDNUSA-N 2 0 317.477 2.541 20 0 DFADRP C[C@@H](NC(=O)c1sccc1C[NH+](C)C)C(C)(C)C[NH+](C)C ZINC000446908270 297290140 /nfs/dbraw/zinc/29/01/40/297290140.db2.gz KZYHSQOUXGIELC-GFCCVEGCSA-N 2 0 311.495 2.516 20 0 DFADRP Cn1ccc(CC[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)n1 ZINC000447603530 297310717 /nfs/dbraw/zinc/31/07/17/297310717.db2.gz YBGWVOTYQJIRKR-OWZKRDHZSA-N 2 0 324.472 2.748 20 0 DFADRP CCO[C@H](CC[NH+](C)C)C[NH2+]Cc1ncc(C(C)(C)C)s1 ZINC000447891108 297323489 /nfs/dbraw/zinc/32/34/89/297323489.db2.gz AAMVLUOOAXHQFK-CYBMUJFWSA-N 2 0 313.511 2.887 20 0 DFADRP C[NH+]1CCN(Cc2ccc(C[NH2+]C3CC4(CCC4)C3)cc2)CC1 ZINC000448076304 297331495 /nfs/dbraw/zinc/33/14/95/297331495.db2.gz FTJNOVDCXXBSMU-UHFFFAOYSA-N 2 0 313.489 2.856 20 0 DFADRP c1ccc(C[NH+]2CCN(CC[NH2+]C3CC4(CCC4)C3)CC2)cc1 ZINC000448078113 297331909 /nfs/dbraw/zinc/33/19/09/297331909.db2.gz PXHOUDFBFNCFPE-UHFFFAOYSA-N 2 0 313.489 2.727 20 0 DFADRP CC[C@@H](C(=O)NC[C@@H]1CCC[N@H+](CC(C)C)C1)[NH+](CC)CC ZINC000448444910 297339665 /nfs/dbraw/zinc/33/96/65/297339665.db2.gz RJDDONNMLPKLTE-IRXDYDNUSA-N 2 0 311.514 2.591 20 0 DFADRP CC[C@H](C(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1)[NH+](CC)CC ZINC000448521100 297340655 /nfs/dbraw/zinc/34/06/55/297340655.db2.gz PVKWFECYARSMGL-CGTJXYLNSA-N 2 0 321.509 2.582 20 0 DFADRP c1cc2cccc(C[NH+]3CCC(C[NH+]4CCOCC4)CC3)c2o1 ZINC000449011922 297390405 /nfs/dbraw/zinc/39/04/05/297390405.db2.gz WLLAEWMXJUTDHP-UHFFFAOYSA-N 2 0 314.429 2.977 20 0 DFADRP Cc1cc(C[NH+]2CCC(CC[NH+]3CCOCC3)CC2)cs1 ZINC000449015258 297391328 /nfs/dbraw/zinc/39/13/28/297391328.db2.gz DCDJCGHYTIYVBT-UHFFFAOYSA-N 2 0 308.491 2.991 20 0 DFADRP Cc1cccc(CC[NH+]2CCN(C[C@H]3CCCC[N@H+]3C)CC2)c1 ZINC000449022917 297392522 /nfs/dbraw/zinc/39/25/22/297392522.db2.gz LRIVDNKLQKBILA-HXUWFJFHSA-N 2 0 315.505 2.639 20 0 DFADRP COc1nccc(C[NH+]2CCC(CCC[NH+]3CCCC3)CC2)n1 ZINC000449035363 297395067 /nfs/dbraw/zinc/39/50/67/297395067.db2.gz GSGQLWYEEPQEJQ-UHFFFAOYSA-N 2 0 318.465 2.573 20 0 DFADRP C[C@@H]1CC[C@H](C)[C@H]([NH2+]Cc2ccnc(N3CC[NH+](C)CC3)c2)C1 ZINC000449081706 297402112 /nfs/dbraw/zinc/40/21/12/297402112.db2.gz HHIRQIBXRSEEHO-SOLBZPMBSA-N 2 0 316.493 2.748 20 0 DFADRP C[C@H](CO)[C@H](C)[NH2+]C1CC[NH+]([C@@H](C)Cc2ccccc2)CC1 ZINC000449165490 297416245 /nfs/dbraw/zinc/41/62/45/297416245.db2.gz WLBNVGRQZSCUIJ-IKGGRYGDSA-N 2 0 304.478 2.689 20 0 DFADRP C[C@H](Cc1coc2ccccc12)[NH2+]CCCN1CC[NH+](C)CC1 ZINC000449218402 297424556 /nfs/dbraw/zinc/42/45/56/297424556.db2.gz HZOPDAGBIZLCPW-MRXNPFEDSA-N 2 0 315.461 2.591 20 0 DFADRP c1cc(C[NH2+]CC2CC[NH+](C3CC3)CC2)n(C2CCCC2)n1 ZINC000449286564 297436670 /nfs/dbraw/zinc/43/66/70/297436670.db2.gz IAIAWAJDQWAEJW-UHFFFAOYSA-N 2 0 302.466 2.962 20 0 DFADRP C[NH+](C)C1(CNC(=O)C[C@H]2CCCC[C@H]2[NH3+])CCCCCC1 ZINC000449310113 297442995 /nfs/dbraw/zinc/44/29/95/297442995.db2.gz DSVRLXXSGDMRGE-HZPDHXFCSA-N 2 0 309.498 2.665 20 0 DFADRP CC(C)[NH+]1CCC(N2CC[NH+](CC3=CCCCC3)CC2)CC1 ZINC000450582364 297650076 /nfs/dbraw/zinc/65/00/76/297650076.db2.gz HKDAIZSQNQCFAP-UHFFFAOYSA-N 2 0 305.510 2.977 20 0 DFADRP CCc1cccc(C[NH2+]C(C)(C)CN2CC[NH+](CC)CC2)c1 ZINC000451975942 297907877 /nfs/dbraw/zinc/90/78/77/297907877.db2.gz ARJFPXLHKIZCQM-UHFFFAOYSA-N 2 0 303.494 2.755 20 0 DFADRP CO[C@@H]1C[C@@H]([NH2+]Cc2ccc(OCC[NH+](C)C)cc2)C12CCC2 ZINC000453068780 298059169 /nfs/dbraw/zinc/05/91/69/298059169.db2.gz SRMFMNVXAHCEHI-QZTJIDSGSA-N 2 0 318.461 2.674 20 0 DFADRP CC[N@H+](C)Cc1cccc(C[NH2+][C@H](C)C2(OC)CCOCC2)c1 ZINC000453108059 298062151 /nfs/dbraw/zinc/06/21/51/298062151.db2.gz MRIXJHIODGXGKB-MRXNPFEDSA-N 2 0 320.477 2.812 20 0 DFADRP O[C@H](C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H]2CCC[C@H]21)C(F)F ZINC000453123047 298064975 /nfs/dbraw/zinc/06/49/75/298064975.db2.gz FPVOWEALZRWCFT-VVLHAWIVSA-N 2 0 324.415 2.645 20 0 DFADRP CC[C@H]([NH2+]C1CC[NH+]([C@@H]2CCC[C@H]2O)CC1)c1ccncc1 ZINC000453158822 298067598 /nfs/dbraw/zinc/06/75/98/298067598.db2.gz KMDPAKOHUWOBBI-RCCFBDPRSA-N 2 0 303.450 2.500 20 0 DFADRP c1ccc(C[N@H+]2CC[C@H]([NH2+]CCN3CCC3)[C@@H]3CCC[C@H]32)cc1 ZINC000453174782 298068872 /nfs/dbraw/zinc/06/88/72/298068872.db2.gz PAGMJJVZKLPERZ-SLFFLAALSA-N 2 0 313.489 2.725 20 0 DFADRP C[C@H](CC(=O)NC[C@@]1([NH+](C)C)CCC[C@@H](C)C1)C1CC[NH2+]CC1 ZINC000165820808 298302574 /nfs/dbraw/zinc/30/25/74/298302574.db2.gz AAWNLRYMWMXDGY-GPMSIDNRSA-N 2 0 323.525 2.639 20 0 DFADRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+][C@@H](C)CCc1ccccc1 ZINC000186581529 298429378 /nfs/dbraw/zinc/42/93/78/298429378.db2.gz LJIXDUPMJGEZRU-ZWKOTPCHSA-N 2 0 303.494 2.623 20 0 DFADRP CC1CC[NH+](CC(=O)Nc2ccc3c(c2)CC[C@@H]3[NH+](C)C)CC1 ZINC000456275953 298485142 /nfs/dbraw/zinc/48/51/42/298485142.db2.gz NOIFIHPYQOACHK-SFHVURJKSA-N 2 0 315.461 2.906 20 0 DFADRP C[NH+](C)Cc1ccc(NC(=O)C2C[NH+](C3CCCCC3)C2)cc1 ZINC000457415753 298719989 /nfs/dbraw/zinc/71/99/89/298719989.db2.gz JRYYUWJAMPBLHM-UHFFFAOYSA-N 2 0 315.461 2.951 20 0 DFADRP C[C@H](C[C@@H](C)[NH2+]CC(C)(C)C[NH+](C)C)NC(=O)OC(C)(C)C ZINC000496282412 300040497 /nfs/dbraw/zinc/04/04/97/300040497.db2.gz IXGMMYNXSQAJAE-ZIAGYGMSSA-N 2 0 315.502 2.856 20 0 DFADRP C[C@H]([NH2+]C[C@]1(C)CCC[NH2+]C1)c1cccc(N2CCOC2=O)c1 ZINC000496965690 300139513 /nfs/dbraw/zinc/13/95/13/300139513.db2.gz WXGFRXZZNHSXOR-KBXCAEBGSA-N 2 0 317.433 2.684 20 0 DFADRP CC(C)(C)OC(=O)NC1CC([NH2+]CC2CC[NH+](C3CC3)CC2)C1 ZINC000497005928 300146367 /nfs/dbraw/zinc/14/63/67/300146367.db2.gz VQUHOYFWQCLTHN-UHFFFAOYSA-N 2 0 323.481 2.506 20 0 DFADRP CC(C)[C@@H]([NH3+])C[NH2+][C@H]1CCCN(C(=O)Oc2ccccc2)CC1 ZINC000497125244 300165436 /nfs/dbraw/zinc/16/54/36/300165436.db2.gz DUSOXMMOXZQUML-RDJZCZTQSA-N 2 0 319.449 2.613 20 0 DFADRP CCC(C)(C)NC(=O)CN1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000506486229 300230499 /nfs/dbraw/zinc/23/04/99/300230499.db2.gz KSNMVGXXZJEFMP-IAGOWNOFSA-N 2 0 323.525 2.878 20 0 DFADRP CCC(C)(C)NC(=O)CN1CCC[C@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000506486231 300230665 /nfs/dbraw/zinc/23/06/65/300230665.db2.gz KSNMVGXXZJEFMP-IRXDYDNUSA-N 2 0 323.525 2.878 20 0 DFADRP COC(=O)[C@@H](C)C[N@H+](C)CC(C)(C)C[NH+](C)Cc1ccccc1 ZINC000509771669 300243234 /nfs/dbraw/zinc/24/32/34/300243234.db2.gz GZKHKGGUMUTUPD-INIZCTEOSA-N 2 0 320.477 2.886 20 0 DFADRP C[C@@H]1C[C@H]([NH3+])CC[N@@H+]1CCC(=O)Nc1cccc2ccccc21 ZINC000514612101 300262736 /nfs/dbraw/zinc/26/27/36/300262736.db2.gz JTVWEUKZQYHQEW-GDBMZVCRSA-N 2 0 311.429 2.980 20 0 DFADRP C[C@H]([NH2+]CCc1nc2ccccc2n1C(F)F)[C@@H]1CCC[NH2+]C1 ZINC000514667614 300265484 /nfs/dbraw/zinc/26/54/84/300265484.db2.gz AITUUPRQHRTBNH-QWHCGFSZSA-N 2 0 322.403 2.952 20 0 DFADRP C[C@H]([NH2+]CCc1ccccc1Br)[C@H]1CCC[NH2+]C1 ZINC000515053312 300286932 /nfs/dbraw/zinc/28/69/32/300286932.db2.gz MXUHBPQAOQQNBN-JSGCOSHPSA-N 2 0 311.267 2.969 20 0 DFADRP CCc1[nH+]c2ccccc2c(N2C[C@@H]3OCC[N@H+](C)[C@H]3C2)c1C ZINC000515082144 300289614 /nfs/dbraw/zinc/28/96/14/300289614.db2.gz OUCHEIIRMFOUQT-ROUUACIJSA-N 2 0 311.429 2.625 20 0 DFADRP CN(CCC[N@H+](C)Cc1cnc(C2CCC2)s1)CC[NH+](C)C ZINC000515093014 300290023 /nfs/dbraw/zinc/29/00/23/300290023.db2.gz BLTPDAQNWKKHNX-UHFFFAOYSA-N 2 0 324.538 2.726 20 0 DFADRP C[C@@H]([NH2+]CC(=O)NCC[NH+]1CCCCCC1)C1CCCCC1 ZINC000515147231 300292474 /nfs/dbraw/zinc/29/24/74/300292474.db2.gz ADAYZRLSRMHQEB-MRXNPFEDSA-N 2 0 309.498 2.537 20 0 DFADRP [NH3+][C@H](CC1CCCCC1)C(=O)Nc1cccc2c1CC[NH2+]C2 ZINC000515233905 300297082 /nfs/dbraw/zinc/29/70/82/300297082.db2.gz BENOTVMTVGMXCY-MRXNPFEDSA-N 2 0 301.434 2.569 20 0 DFADRP CC(C)[N@@H+]1CCC[C@@H](CNC(=O)CC[C@@H]([NH3+])c2ccccc2)C1 ZINC000515643072 300316442 /nfs/dbraw/zinc/31/64/42/300316442.db2.gz YMOMGZGNONWBMG-FUHWJXTLSA-N 2 0 317.477 2.703 20 0 DFADRP C[C@H]([NH2+][C@@H]1CCN(C)[C@H]1c1ccc(F)c(F)c1)[C@@H]1CCC[NH2+]C1 ZINC000516046269 300327374 /nfs/dbraw/zinc/32/73/74/300327374.db2.gz UGCDOCZPONNXAD-GGBBIFEXSA-N 2 0 323.431 2.688 20 0 DFADRP COc1ccc(C[C@H](C)C[NH2+][C@@H](C)[C@H]2CCC[NH2+]C2)cc1OC ZINC000516861234 300363965 /nfs/dbraw/zinc/36/39/65/300363965.db2.gz CKOJNTZZFKLCLG-ZOBUZTSGSA-N 2 0 320.477 2.860 20 0 DFADRP Fc1ccc([C@H](C[C@@H]2CCOC2)[NH2+]CC2CC[NH2+]CC2)cc1 ZINC000519537642 300456699 /nfs/dbraw/zinc/45/66/99/300456699.db2.gz HNAWXUDNLLZLSP-YJBOKZPZSA-N 2 0 306.425 2.883 20 0 DFADRP C[C@@H](CC(=O)NCC1([NH+](C)C)CCCCCC1)C1CC[NH2+]CC1 ZINC000519546131 300457707 /nfs/dbraw/zinc/45/77/07/300457707.db2.gz WNQDTUWAKMUNSR-INIZCTEOSA-N 2 0 323.525 2.783 20 0 DFADRP [NH3+][C@@H]1CCC[C@@H](C[NH2+]Cc2ccc(Cl)cc2-n2cncn2)C1 ZINC000520368431 300494120 /nfs/dbraw/zinc/49/41/20/300494120.db2.gz WLIDPUVELKHXKQ-IUODEOHRSA-N 2 0 319.840 2.528 20 0 DFADRP C[NH+](C)CCN(CC[NH+](C)C)Cc1cc(Cl)cc(Cl)c1 ZINC000521514053 300529207 /nfs/dbraw/zinc/52/92/07/300529207.db2.gz HRXBYVVEZZZRHZ-UHFFFAOYSA-N 2 0 318.292 2.919 20 0 DFADRP CC[C@@H]1Oc2cc([C@@H](C)[NH2+][C@@H]3CCC[NH2+]CC3)ccc2NC1=O ZINC000521859017 300538123 /nfs/dbraw/zinc/53/81/23/300538123.db2.gz OFIDVWYMTZCVQG-XPKDYRNWSA-N 2 0 317.433 2.589 20 0 DFADRP Cc1cccc([C@@H]([NH2+]C[C@H](C)N2CC[NH+](C)CC2)C(C)C)c1 ZINC000527859962 300702459 /nfs/dbraw/zinc/70/24/59/300702459.db2.gz SIQYRHAHMYNROG-HKUYNNGSSA-N 2 0 303.494 2.918 20 0 DFADRP C[C@@H]1C[C@@H](N[C@@H]2CC[NH2+]C23CCC3)CC[N@@H+]1Cc1ccccc1 ZINC000530176565 301025652 /nfs/dbraw/zinc/02/56/52/301025652.db2.gz CBLNAJXYHCKADV-NZSAHSFTSA-N 2 0 313.489 2.914 20 0 DFADRP CO[C@H](Cc1ccc(F)cc1)C[N@@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000530220088 301031089 /nfs/dbraw/zinc/03/10/89/301031089.db2.gz IMJGQZQFPZWNIP-YQVWRLOYSA-N 2 0 320.452 2.705 20 0 DFADRP COc1ccc(CC[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)cn1 ZINC000530223300 301031698 /nfs/dbraw/zinc/03/16/98/301031698.db2.gz SYRWQBAKNJXXLR-IXDOHACOSA-N 2 0 303.450 2.533 20 0 DFADRP Clc1ccc(C[NH+]2CCC(CO[C@@H]3CC[NH2+]C3)CC2)cc1 ZINC000530238864 301033254 /nfs/dbraw/zinc/03/32/54/301033254.db2.gz OPRRBQUYYOYGQO-QGZVFWFLSA-N 2 0 308.853 2.931 20 0 DFADRP C[C@@H](c1ccc(F)cc1)[NH+]1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000530238844 301033437 /nfs/dbraw/zinc/03/34/37/301033437.db2.gz DCICDTLOCHVGCN-KSSFIOAISA-N 2 0 306.425 2.977 20 0 DFADRP c1cc2c(cc1N[C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1)OCC[NH2+]C2 ZINC000530247330 301033694 /nfs/dbraw/zinc/03/36/94/301033694.db2.gz QFKUDZKDNSOUHZ-IXDOHACOSA-N 2 0 301.434 2.501 20 0 DFADRP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)C[C@H]2CCC3(CCCC3)O2)CC1 ZINC000530463632 301049766 /nfs/dbraw/zinc/04/97/66/301049766.db2.gz PFSYZKKSFSYGET-SJLPKXTDSA-N 2 0 324.509 2.503 20 0 DFADRP C[C@H](CC1CCCCC1)C(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000530881038 301069808 /nfs/dbraw/zinc/06/98/08/301069808.db2.gz YIUPUFWSTIKQJJ-MRXNPFEDSA-N 2 0 311.514 2.545 20 0 DFADRP CCN(CC)C(=O)C[C@H](C)[NH2+]CCCC[N@@H+]1CCC[C@@H](C)C1 ZINC000531681430 301103687 /nfs/dbraw/zinc/10/36/87/301103687.db2.gz XDRQBSVLPQYTNX-SJORKVTESA-N 2 0 311.514 2.735 20 0 DFADRP COc1cc(C)ccc1[C@H](C)[NH2+]C[C@@H](C)CN1CC[NH+](C)CC1 ZINC000531704473 301105066 /nfs/dbraw/zinc/10/50/66/301105066.db2.gz PUBFGCUJBAVOMY-SJORKVTESA-N 2 0 319.493 2.538 20 0 DFADRP C[C@H]([NH2+]C[C@H]1CC[N@@H+](C2CC2)C1)c1ccc2c(c1)CCC(=O)N2 ZINC000531940375 301119870 /nfs/dbraw/zinc/11/98/70/301119870.db2.gz USLIVLMAXLFWGD-UONOGXRCSA-N 2 0 313.445 2.706 20 0 DFADRP C[C@@H](C[NH2+][C@H](CC1CC1)c1ccccc1)N1CC[NH+](C)CC1 ZINC000531959447 301121057 /nfs/dbraw/zinc/12/10/57/301121057.db2.gz WVHPVEKYDXADCV-QFBILLFUSA-N 2 0 301.478 2.753 20 0 DFADRP C[C@H]([NH2+]CC1CC[NH+](CC(=O)NC(C)(C)C)CC1)c1ccoc1 ZINC000531979153 301122854 /nfs/dbraw/zinc/12/28/54/301122854.db2.gz OATUWEYKHMTDIL-AWEZNQCLSA-N 2 0 321.465 2.557 20 0 DFADRP CC(C)[NH+](CCC[NH2+]C1CCN(c2cnccn2)CC1)C(C)C ZINC000531984134 301123062 /nfs/dbraw/zinc/12/30/62/301123062.db2.gz XGGFZWQPAJTKMV-UHFFFAOYSA-N 2 0 319.497 2.544 20 0 DFADRP C[C@H]([NH2+]CCCCn1ccnc1)c1ccc([S@@](C)=O)cc1 ZINC000532448926 301153184 /nfs/dbraw/zinc/15/31/84/301153184.db2.gz VVJBWELGZNKTOM-LHSJRXKWSA-N 2 0 305.447 2.752 20 0 DFADRP CCN(CC)C(=O)C[C@@H](C)[NH2+]CCCC[N@@H+]1CCCC[C@H]1C ZINC000532459767 301154318 /nfs/dbraw/zinc/15/43/18/301154318.db2.gz HCKGRXBJQOIMKF-IAGOWNOFSA-N 2 0 311.514 2.878 20 0 DFADRP C[C@H](N[C@H](CN1CC[NH+](C)CC1)c1ccccc1)c1ccco1 ZINC000532481186 301154693 /nfs/dbraw/zinc/15/46/93/301154693.db2.gz TWUSZIRJKLWMKZ-FUHWJXTLSA-N 2 0 313.445 2.919 20 0 DFADRP C[C@H](N[C@@H](CN1CC[NH+](C)CC1)c1ccccc1)c1ccco1 ZINC000532481188 301154934 /nfs/dbraw/zinc/15/49/34/301154934.db2.gz TWUSZIRJKLWMKZ-WMZOPIPTSA-N 2 0 313.445 2.919 20 0 DFADRP C[C@@H]1CC[N@H+](CCNC2CC[NH+]([C@@H]3CCC[C@@H](C)C3)CC2)C1 ZINC000532531761 301158708 /nfs/dbraw/zinc/15/87/08/301158708.db2.gz CLZAYBRWLHNTJU-ZHALLVOQSA-N 2 0 307.526 2.961 20 0 DFADRP CC[N@H+](CC(=O)NCC1([NH+]2CCCCC2)CCCCC1)C1CC1 ZINC000533548728 301206484 /nfs/dbraw/zinc/20/64/84/301206484.db2.gz XUWXLQVSNIWFPN-UHFFFAOYSA-N 2 0 321.509 2.776 20 0 DFADRP C[NH+]1CCN(c2cc[nH+]cc2NCc2ccc(Cl)o2)CC1 ZINC000533583281 301209635 /nfs/dbraw/zinc/20/96/35/301209635.db2.gz DMSQLJDIJRINCD-UHFFFAOYSA-N 2 0 306.797 2.692 20 0 DFADRP C[C@@H](c1nc2ccccc2c(=O)[nH]1)N1CC[C@H](c2nccn2C)C1 ZINC000533864776 301214720 /nfs/dbraw/zinc/21/47/20/301214720.db2.gz BJOUPROVMXZCER-STQMWFEESA-N 2 0 323.400 2.619 20 0 DFADRP C[C@@H]1CCCC[N@@H+]1CCC1CC[NH+]([C@@H]2CCCN(C)C2=O)CC1 ZINC000537607188 301305653 /nfs/dbraw/zinc/30/56/53/301305653.db2.gz SBTPGXKQEBACME-SJLPKXTDSA-N 2 0 321.509 2.584 20 0 DFADRP CO[C@@H](C)c1nc(CN2CC[C@@H](c3nccn3C)C2)cs1 ZINC000537705822 301308990 /nfs/dbraw/zinc/30/89/90/301308990.db2.gz IKILJCZPIYTCJP-NWDGAFQWSA-N 2 0 306.435 2.574 20 0 DFADRP Cc1ccc2c(c1)[C@@H]([NH2+]CCCC[NH+]1CCN(C)CC1)[C@H](C)C2 ZINC000538709291 301328802 /nfs/dbraw/zinc/32/88/02/301328802.db2.gz CEZQELKIXZHRHK-XLIONFOSSA-N 2 0 315.505 2.846 20 0 DFADRP CC[N@H+](CCC1CC[NH+](CC(=O)NC(C)(C)C)CC1)CC1CC1 ZINC000538951418 301335430 /nfs/dbraw/zinc/33/54/30/301335430.db2.gz WSJLRKFPCQICHN-UHFFFAOYSA-N 2 0 323.525 2.735 20 0 DFADRP CC[C@@H](C)NC(=O)C[NH+]1CCC(CC[N@H+](CC)CC2CC2)CC1 ZINC000538950515 301335572 /nfs/dbraw/zinc/33/55/72/301335572.db2.gz UWRQBPNOJQLBAB-MRXNPFEDSA-N 2 0 323.525 2.735 20 0 DFADRP CC[C@H]([NH2+]C1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1)C1CCOCC1 ZINC000539060421 301337432 /nfs/dbraw/zinc/33/74/32/301337432.db2.gz HJDSFJLHAOSVEP-FHWLQOOXSA-N 2 0 324.509 2.549 20 0 DFADRP C[C@H]1C[C@@H]1C[NH2+]Cc1c(Cl)cccc1N1CC[NH+](C)CC1 ZINC000539951277 301354182 /nfs/dbraw/zinc/35/41/82/301354182.db2.gz UWKPKCHUNAAUTM-UONOGXRCSA-N 2 0 307.869 2.837 20 0 DFADRP CC1=CC[C@H]([NH2+]CC2CC[NH+](CC(=O)NC(C)(C)C)CC2)CC1 ZINC000552002499 301674916 /nfs/dbraw/zinc/67/49/16/301674916.db2.gz OBVICSIIUVLHAJ-KRWDZBQOSA-N 2 0 321.509 2.702 20 0 DFADRP CC(C)=CCC[C@H](C)[NH2+]CC(=O)NCC[NH+]1CCCCCC1 ZINC000552279006 301688720 /nfs/dbraw/zinc/68/87/20/301688720.db2.gz YYCUQOBAQYBDJW-KRWDZBQOSA-N 2 0 309.498 2.703 20 0 DFADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+][C@@H]2CCCC23CCCC3)CC1 ZINC000556076849 301784139 /nfs/dbraw/zinc/78/41/39/301784139.db2.gz RXILDOFLCFLXOH-ZWKOTPCHSA-N 2 0 307.526 2.963 20 0 DFADRP C[C@@H](CN(CC[NH+](C)C)CC[NH+](C)C)c1cccc(Cl)c1 ZINC000561971297 301947231 /nfs/dbraw/zinc/94/72/31/301947231.db2.gz KZWOGVHWQJTGMK-HNNXBMFYSA-N 2 0 311.901 2.869 20 0 DFADRP C[C@H](CCc1ccccc1)C[N@H+](C)CCCN1CC[NH+](C)CC1 ZINC000562902556 302011608 /nfs/dbraw/zinc/01/16/08/302011608.db2.gz YLYXIDKBBUFSGP-LJQANCHMSA-N 2 0 317.521 2.825 20 0 DFADRP CC[NH2+]CCC[NH2+][C@@H](C)CC(=O)Nc1cc(Cl)ccc1C ZINC000562956342 302017380 /nfs/dbraw/zinc/01/73/80/302017380.db2.gz WDKBULCVSZPFDS-ZDUSSCGKSA-N 2 0 311.857 2.955 20 0 DFADRP C[C@@H]1CC([NH2+][C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)C[C@@H](C)O1 ZINC000562959439 302018301 /nfs/dbraw/zinc/01/83/01/302018301.db2.gz OBSCRIAHBLNPLW-PHNROFDPSA-N 2 0 316.445 2.788 20 0 DFADRP C[C@H]([NH3+])[C@H]1COCC[C@H]1[NH2+]Cc1cccc(-c2ccccn2)c1 ZINC000562959514 302018411 /nfs/dbraw/zinc/01/84/11/302018411.db2.gz WBZVEEUKTKFMHT-POZUXBRTSA-N 2 0 311.429 2.591 20 0 DFADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]Cc1ccc(OCC(F)(F)F)nc1 ZINC000562958456 302018469 /nfs/dbraw/zinc/01/84/69/302018469.db2.gz HXSHBURRVULXON-YPMHNXCESA-N 2 0 317.355 2.500 20 0 DFADRP COc1cccc(CCC[NH+]2CCC([C@H]3CC[NH2+]C3)CC2)c1 ZINC000563149471 302041630 /nfs/dbraw/zinc/04/16/30/302041630.db2.gz CTYDWQSROMAYRJ-SFHVURJKSA-N 2 0 302.462 2.949 20 0 DFADRP C[C@@H]1C[C@@H]([NH3+])CC[N@@H+]1Cc1cccc(OCc2ccccn2)c1 ZINC000563351411 302064846 /nfs/dbraw/zinc/06/48/46/302064846.db2.gz YZQYRBPCIIFDJV-WBVHZDCISA-N 2 0 311.429 2.972 20 0 DFADRP Cc1ncc(C[NH2+]CC2(c3ccc(F)cc3)CCOCC2)n1C ZINC000563438630 302073022 /nfs/dbraw/zinc/07/30/22/302073022.db2.gz GNJUMNZFQMBDRM-UHFFFAOYSA-N 2 0 317.408 2.706 20 0 DFADRP CC1(c2nc(-c3cccc(C[NH+]4CCCCC4)c3)no2)C[NH2+]C1 ZINC000563517268 302078994 /nfs/dbraw/zinc/07/89/94/302078994.db2.gz ORAMJZMCUYABOS-UHFFFAOYSA-N 2 0 312.417 2.583 20 0 DFADRP COc1cc2c(cc1C[NH2+]C[C@H]1CC[C@H](C[NH3+])CC1)O[C@H](C)C2 ZINC000563519260 302079588 /nfs/dbraw/zinc/07/95/88/302079588.db2.gz DWDQPWYMRCLHDB-RBSFLKMASA-N 2 0 318.461 2.873 20 0 DFADRP O[C@H](C[NH2+]C[C@H]1CC[N@@H+](C2CC2)C1)Cc1ccc2ccccc2c1 ZINC000563528791 302079973 /nfs/dbraw/zinc/07/99/73/302079973.db2.gz GOZHUDNBCLYIEU-UTKZUKDTSA-N 2 0 324.468 2.817 20 0 DFADRP C[NH+](C)C1(CNC(=O)CC[C@H]2CCCC[N@@H+]2C)CCCCC1 ZINC000563740176 302096216 /nfs/dbraw/zinc/09/62/16/302096216.db2.gz TYSIOHUENHKNLC-MRXNPFEDSA-N 2 0 309.498 2.632 20 0 DFADRP CC[NH+]1CCC(C[NH2+][C@@H](COC)c2ccc(F)c(F)c2)CC1 ZINC000563829178 302101507 /nfs/dbraw/zinc/10/15/07/302101507.db2.gz YQZZWTABDCNIHZ-KRWDZBQOSA-N 2 0 312.404 2.974 20 0 DFADRP CC[NH+]1CCC(C[NH2+]Cc2ccc(COCCOC)cc2)CC1 ZINC000564129385 302120321 /nfs/dbraw/zinc/12/03/21/302120321.db2.gz WAXCPFFSGDFNGR-UHFFFAOYSA-N 2 0 320.477 2.671 20 0 DFADRP Cn1cncc1CCC[N@H+](C)Cc1cnn(-c2ccccc2)c1 ZINC000564344410 302130417 /nfs/dbraw/zinc/13/04/17/302130417.db2.gz QLBLFAKGMASGHN-UHFFFAOYSA-N 2 0 309.417 2.670 20 0 DFADRP [NH3+]CCCCC(=O)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000564652980 302147531 /nfs/dbraw/zinc/14/75/31/302147531.db2.gz SUWQQCSQKYYEOF-UHFFFAOYSA-N 2 0 323.868 2.550 20 0 DFADRP C[C@H]([NH2+][C@@H](C)[C@@H]1CCC[NH2+]C1)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000564822589 302161040 /nfs/dbraw/zinc/16/10/40/302161040.db2.gz RIQPPOMQGXCCRP-KCQAQPDRSA-N 2 0 315.461 2.955 20 0 DFADRP COc1ccc(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)cc1O ZINC000564825790 302161631 /nfs/dbraw/zinc/16/16/31/302161631.db2.gz HTEOGUXBKWNIOY-BZUAXINKSA-N 2 0 304.434 2.801 20 0 DFADRP C[C@@H](CC[NH+](C)C)[NH2+]C[C@@H](O)COc1ccc(C(C)(C)C)cc1 ZINC000564857064 302165161 /nfs/dbraw/zinc/16/51/61/302165161.db2.gz QLIPGLQVZXYSJR-DOTOQJQBSA-N 2 0 322.493 2.654 20 0 DFADRP C[C@H](CC[NH+](C)C)[NH2+]C[C@@H](O)Cc1ccccc1C(F)(F)F ZINC000564855760 302165224 /nfs/dbraw/zinc/16/52/24/302165224.db2.gz HGAKGZHMQWAIQS-OCCSQVGLSA-N 2 0 318.383 2.539 20 0 DFADRP CN1CC[C@H]([NH2+][C@@H]2CCC[C@@H]([NH3+])C2)[C@H]1c1ccc(Cl)cc1 ZINC000565223992 302209826 /nfs/dbraw/zinc/20/98/26/302209826.db2.gz DYVKKDVNZPDEBP-WCXIOVBPSA-N 2 0 307.869 2.945 20 0 DFADRP C[C@@H]([NH2+][C@@H](C)c1ccc2c(c1)CCC(=O)N2)[C@H]1CCC[NH2+]C1 ZINC000565298509 302216227 /nfs/dbraw/zinc/21/62/27/302216227.db2.gz WNGGTANQQPDAQB-ZENOOKHLSA-N 2 0 301.434 2.610 20 0 DFADRP Cc1c(C[NH+]2CCSCC2)cccc1NC(=O)CCCC[NH3+] ZINC000565364263 302221064 /nfs/dbraw/zinc/22/10/64/302221064.db2.gz LSIXSUWDSBNTJK-UHFFFAOYSA-N 2 0 321.490 2.611 20 0 DFADRP CC[NH2+]Cc1cccc(NC(=O)[C@@H]2C[NH2+]Cc3ccccc32)c1 ZINC000565717459 302239248 /nfs/dbraw/zinc/23/92/48/302239248.db2.gz ZZKLWQFMIAEUEN-GOSISDBHSA-N 2 0 309.413 2.622 20 0 DFADRP C[C@]1(C(=O)Nc2cccc(C[NH+]3CCCCC3)c2)CCC[NH2+]1 ZINC000565953297 302250631 /nfs/dbraw/zinc/25/06/31/302250631.db2.gz DTBMGKPJSULDQT-GOSISDBHSA-N 2 0 301.434 2.753 20 0 DFADRP Cc1cccc(NC(=O)C[C@H](C)[NH2+][C@@H](C)[C@@H]2CCC[NH2+]C2)c1 ZINC000566087973 302258101 /nfs/dbraw/zinc/25/81/01/302258101.db2.gz IJZCIOSTTMHMEC-HRCADAONSA-N 2 0 303.450 2.690 20 0 DFADRP C[C@@H]([NH2+]Cc1cc(N(C)C)nc2ccccc12)[C@H]1CCC[NH2+]C1 ZINC000566089585 302258366 /nfs/dbraw/zinc/25/83/66/302258366.db2.gz UQWYNCAZRQXCOY-CABCVRRESA-N 2 0 312.461 2.779 20 0 DFADRP C[C@H]([NH2+]C[C@H](c1ccc(Cl)cc1)N(C)C)[C@H]1CCC[NH2+]C1 ZINC000566089476 302258579 /nfs/dbraw/zinc/25/85/79/302258579.db2.gz BBSLXHBMROAYCR-JLJPHGGASA-N 2 0 309.885 2.920 20 0 DFADRP C[C@H](c1ccncc1)[NH+]1CCC(N[C@@H]2CCCCC[C@H]2[NH3+])CC1 ZINC000566090766 302258803 /nfs/dbraw/zinc/25/88/03/302258803.db2.gz LTRCTXKMMPLNLO-ATZDWAIDSA-N 2 0 316.493 2.857 20 0 DFADRP Cc1ccc(OC[C@H](O)C[NH2+]C2CC[NH+](C(C)(C)C)CC2)cc1 ZINC000566108175 302260007 /nfs/dbraw/zinc/26/00/07/302260007.db2.gz VRTXZBBKTDZWBJ-QGZVFWFLSA-N 2 0 320.477 2.587 20 0 DFADRP CC[C@H](O)C[NH2+]Cc1ccccc1C[N@H+](C)Cc1ccco1 ZINC000566114867 302260980 /nfs/dbraw/zinc/26/09/80/302260980.db2.gz FZXPVKJFTMGMQF-KRWDZBQOSA-N 2 0 302.418 2.772 20 0 DFADRP C[C@@H](CNC(=O)CC[C@@H]([NH3+])c1ccccc1)[N@@H+]1CCCC[C@H]1C ZINC000566289376 302274998 /nfs/dbraw/zinc/27/49/98/302274998.db2.gz STEWYZFSSRWLLT-SOLBZPMBSA-N 2 0 317.477 2.846 20 0 DFADRP CCC[N@H+](CC)Cc1ccc(C(=O)N[C@H](C)C[C@H](C)[NH3+])cc1 ZINC000566294963 302276036 /nfs/dbraw/zinc/27/60/36/302276036.db2.gz HMFUQVDHESECDK-LSDHHAIUSA-N 2 0 305.466 2.774 20 0 DFADRP O[C@H]1CCCC[C@@H]1C[N@H+]1C[C@@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000566306613 302277723 /nfs/dbraw/zinc/27/77/23/302277723.db2.gz UFSXUGWQGYCMEP-ZRNYENFQSA-N 2 0 314.473 2.601 20 0 DFADRP CCC(CC)(CNC(=O)[C@H](C)[NH2+]C)[NH2+][C@H](C)c1ccccc1 ZINC000567248573 302344787 /nfs/dbraw/zinc/34/47/87/302344787.db2.gz HFNBZMZWFGEEJV-CABCVRRESA-N 2 0 305.466 2.620 20 0 DFADRP Cc1cc(C[NH3+])cc(NC(=O)N[C@@H](C)C[NH+]2CCC(C)CC2)c1 ZINC000567250195 302345548 /nfs/dbraw/zinc/34/55/48/302345548.db2.gz DAJPHRXOROCHTE-HNNXBMFYSA-N 2 0 318.465 2.696 20 0 DFADRP [NH3+][C@@H]1CCC[C@@H](NCC2([NH+]3CCSCC3)CCCCC2)C1 ZINC000567249892 302345577 /nfs/dbraw/zinc/34/55/77/302345577.db2.gz XSLLWFRVTJUBNE-HZPDHXFCSA-N 2 0 311.539 2.598 20 0 DFADRP C[NH+](C)Cc1ccc(C[NH2+]C[C@H](O)Cc2ccc(F)cc2)cc1 ZINC000567324593 302349397 /nfs/dbraw/zinc/34/93/97/302349397.db2.gz FXKUZXVSMKTYMJ-LJQANCHMSA-N 2 0 316.420 2.581 20 0 DFADRP C[C@@H]1C[C@H]([NH2+]CC2CCN(c3cc[nH+]cc3)CC2)C[C@H](C)O1 ZINC000567336021 302350971 /nfs/dbraw/zinc/35/09/71/302350971.db2.gz FODUGXQHZNLXOS-QLPKVWCKSA-N 2 0 303.450 2.844 20 0 DFADRP C[N@H+](CCc1ccccc1)[C@H]1CCN(CC[NH2+]C(C)(C)C)C1 ZINC000567408145 302356862 /nfs/dbraw/zinc/35/68/62/302356862.db2.gz YAXHXPNURFOUIT-SFHVURJKSA-N 2 0 303.494 2.623 20 0 DFADRP COc1cc(C[NH2+][C@H]2CC[NH2+]CC[C@H]2C)ccc1OC(F)F ZINC000567490031 302363709 /nfs/dbraw/zinc/36/37/09/302363709.db2.gz DRKXQMBCFYMMGP-YPMHNXCESA-N 2 0 314.376 2.774 20 0 DFADRP C[C@H]([NH2+]C[C@@H]1CCCN(c2ccccc2)C1)[C@@H]1CCC[NH2+]C1 ZINC000567639988 302375300 /nfs/dbraw/zinc/37/53/00/302375300.db2.gz UALRPBPGIXNUEM-OKZBNKHCSA-N 2 0 301.478 2.881 20 0 DFADRP COc1ccccc1OC[C@H](C)C[NH2+][C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000567646074 302375970 /nfs/dbraw/zinc/37/59/70/302375970.db2.gz SDGWKRRZBVZIQB-BZUAXINKSA-N 2 0 306.450 2.688 20 0 DFADRP C[C@@H]1C[N@@H+](Cc2cccc(N[C@@H]3CCC[C@H]3[NH3+])c2)C[C@H](C)O1 ZINC000567645854 302376039 /nfs/dbraw/zinc/37/60/39/302376039.db2.gz FDFWJQBCCKNUSO-LTCOOKNTSA-N 2 0 303.450 2.588 20 0 DFADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]C[C@H](c1ccc(Cl)cc1)N(C)C ZINC000567642519 302376177 /nfs/dbraw/zinc/37/61/77/302376177.db2.gz OHGBHOHOUDIXHW-XOKHGSTOSA-N 2 0 309.885 2.920 20 0 DFADRP CCCCNC(=O)c1ccc(C[NH2+][C@H](C)[C@@H]2CCC[NH2+]C2)cc1 ZINC000567648362 302376243 /nfs/dbraw/zinc/37/62/43/302376243.db2.gz DRBYFPBZRDOFOX-CRAIPNDOSA-N 2 0 317.477 2.694 20 0 DFADRP C[C@H]([NH2+]C(C)(C)CNC(=O)[C@H]1CCCCC[NH2+]1)c1ccccc1 ZINC000567974126 302404846 /nfs/dbraw/zinc/40/48/46/302404846.db2.gz QKTFXDVINGKMEY-DOTOQJQBSA-N 2 0 317.477 2.764 20 0 DFADRP Cc1cc(NCC2CC[NH2+]CC2)c2cc(OC(F)F)ccc2[nH+]1 ZINC000568235984 302433039 /nfs/dbraw/zinc/43/30/39/302433039.db2.gz RTCYKKFMWZBOEI-UHFFFAOYSA-N 2 0 321.371 2.978 20 0 DFADRP [NH3+][C@H]1CCC[C@H]([NH2+]CCOc2ccc(Br)cc2)C1 ZINC000568247593 302434743 /nfs/dbraw/zinc/43/47/43/302434743.db2.gz QXNVIJJSYCGFRC-STQMWFEESA-N 2 0 313.239 2.687 20 0 DFADRP CSC[C@H](O)C[NH2+]Cc1cccc(C[NH+]2CCCCCC2)c1 ZINC000568751017 302474747 /nfs/dbraw/zinc/47/47/47/302474747.db2.gz UFDOLJHBLDWOHU-GOSISDBHSA-N 2 0 322.518 2.876 20 0 DFADRP C[C@H]([NH2+]CC[C@H]1CCC[NH2+]C1)c1ccc2c(c1)CCC(=O)N2 ZINC000568748964 302474849 /nfs/dbraw/zinc/47/48/49/302474849.db2.gz PVHLGYVOWIAXQV-UONOGXRCSA-N 2 0 301.434 2.612 20 0 DFADRP C[C@@H]1[NH2+]CC[C@@H]1C(=O)Nc1ccc(C[NH+]2CCC(C)CC2)cc1 ZINC000571204662 302608606 /nfs/dbraw/zinc/60/86/06/302608606.db2.gz QAUYAOCKOYDEJP-YJBOKZPZSA-N 2 0 315.461 2.855 20 0 DFADRP CC[C@@H]1Oc2cc([C@H](C)[NH2+][C@H]3CCC[C@H]([NH3+])C3)ccc2NC1=O ZINC000572378792 302659311 /nfs/dbraw/zinc/65/93/11/302659311.db2.gz RIYJUSCRWXOIDZ-PCBIJLKTSA-N 2 0 317.433 2.717 20 0 DFADRP CC[NH+]1CCC(C[NH2+][C@H](C)c2ccc3c(c2)CCC(=O)N3)CC1 ZINC000572986112 302687713 /nfs/dbraw/zinc/68/77/13/302687713.db2.gz QHPJIBLLULAGDQ-CQSZACIVSA-N 2 0 315.461 2.954 20 0 DFADRP Cc1[nH+]c2c(Cl)cccc2c(N2CCO[C@H](C[NH3+])C2)c1C ZINC000573076221 302689893 /nfs/dbraw/zinc/68/98/93/302689893.db2.gz ZUDHITMCMBKTCX-GFCCVEGCSA-N 2 0 305.809 2.669 20 0 DFADRP COc1cc2c(cc1C[NH2+]C1CCC([NH+](C)C)CC1)O[C@@H](C)C2 ZINC000573347198 302701779 /nfs/dbraw/zinc/70/17/79/302701779.db2.gz YDICUMRULFXITE-IGEOTXOUSA-N 2 0 318.461 2.981 20 0 DFADRP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@H](C)c2cc(C)oc2C)CC1 ZINC000573669455 302716006 /nfs/dbraw/zinc/71/60/06/302716006.db2.gz ZZILWHHMCMRVLB-GDBMZVCRSA-N 2 0 307.482 2.821 20 0 DFADRP C[C@H]([NH2+]C[C@H](c1ccccc1Cl)N(C)C)[C@H]1CCC[NH2+]C1 ZINC000573830953 302726374 /nfs/dbraw/zinc/72/63/74/302726374.db2.gz GXFFMWJUANKMBR-GRDNDAEWSA-N 2 0 309.885 2.920 20 0 DFADRP Cc1ccc(OC[C@H](O)C[NH2+]C2CC(C)(C)[NH2+]C(C)(C)C2)cc1 ZINC000574417747 302758266 /nfs/dbraw/zinc/75/82/66/302758266.db2.gz HCIXIJCBIGEFKI-MRXNPFEDSA-N 2 0 320.477 2.634 20 0 DFADRP [NH3+]CC1(CC(=O)N2CCC[C@H]([NH+]3CCCC3)CC2)CCCCC1 ZINC000184240341 303370060 /nfs/dbraw/zinc/37/00/60/303370060.db2.gz NMSGXTVFWZKBPT-KRWDZBQOSA-N 2 0 321.509 2.763 20 0 DFADRP [NH3+][C@H](CCC(=O)NCCC[NH+]1CCCCCC1)c1ccccc1 ZINC000163608064 315877272 /nfs/dbraw/zinc/87/72/72/315877272.db2.gz IGDDYBKQWQXTGR-GOSISDBHSA-N 2 0 317.477 2.849 20 0 DFADRP CC(C)[C@H]([NH2+]CC1CC[NH+](CC(=O)NC(C)(C)C)CC1)C1CC1 ZINC000163543497 315877396 /nfs/dbraw/zinc/87/73/96/315877396.db2.gz NBUFJQCMYKXYSV-SFHVURJKSA-N 2 0 323.525 2.637 20 0 DFADRP C[C@H](CC[NH2+][C@@H](C)C1CCOCC1)[NH2+][C@@H](C)C1CCOCC1 ZINC000179877410 316020620 /nfs/dbraw/zinc/02/06/20/316020620.db2.gz MOKGTHXSGBNBQD-PMPSAXMXSA-N 2 0 312.498 2.574 20 0 DFADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CCOC(C)(C)C)[C@H](C)C1 ZINC000180340019 316031225 /nfs/dbraw/zinc/03/12/25/316031225.db2.gz UQNNPUMKFLZIGY-HZPDHXFCSA-N 2 0 300.487 2.528 20 0 DFADRP C[C@H](CCNc1cc[nH+]cc1C(N)=O)[N@H+](C)Cc1ccccc1 ZINC000184129050 316159709 /nfs/dbraw/zinc/15/97/09/316159709.db2.gz UDQYKPGTKKNEII-CQSZACIVSA-N 2 0 312.417 2.503 20 0 DFADRP C[C@H](C[NH2+][C@@H](C)C12CC3CC(CC(C3)C1)C2)N1CC[NH+](C)CC1 ZINC000185366105 316185431 /nfs/dbraw/zinc/18/54/31/316185431.db2.gz SIBLDXFHQNBJDF-LSURXJPSSA-N 2 0 319.537 2.817 20 0 DFADRP C[C@@H]([NH2+]CCOCC(F)(F)F)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185692497 316190051 /nfs/dbraw/zinc/19/00/51/316190051.db2.gz IOPNFCXSSKFLMO-CHWSQXEVSA-N 2 0 308.388 2.808 20 0 DFADRP CCOC(=O)CCCC[NH2+][C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185709986 316190946 /nfs/dbraw/zinc/19/09/46/316190946.db2.gz SMIHGHZGYSKGHJ-HZPDHXFCSA-N 2 0 310.482 2.962 20 0 DFADRP COc1cc([C@@H](C)[NH2+][C@H](C)CCN2CC[NH+](C)CC2)ccc1F ZINC000186566464 316201884 /nfs/dbraw/zinc/20/18/84/316201884.db2.gz HDNWUIFNHDDELX-HUUCEWRRSA-N 2 0 323.456 2.511 20 0 DFADRP COc1cc2c(cc1C[NH+]1CCC([C@H](C)[NH3+])CC1)O[C@H](C)C2 ZINC000317053803 316247285 /nfs/dbraw/zinc/24/72/85/316247285.db2.gz XGHOBTRNSCQBHB-OLZOCXBDSA-N 2 0 304.434 2.578 20 0 DFADRP C[C@H]([NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccc2c(c1)OCCO2 ZINC000337610666 316301948 /nfs/dbraw/zinc/30/19/48/316301948.db2.gz YFLKVYJXVLNBTK-IMJJTQAJSA-N 2 0 302.418 2.735 20 0 DFADRP C[C@@H]1C[NH+](CCC2CC[NH+](CCC3(O)CCC3)CC2)C[C@@H](C)O1 ZINC000411313159 316587622 /nfs/dbraw/zinc/58/76/22/316587622.db2.gz XCJBUFZWZQFAMN-IAGOWNOFSA-N 2 0 324.509 2.503 20 0 DFADRP Cc1csc(NC2CC[NH+](C[C@H]3CC[NH2+][C@H](C)C3)CC2)n1 ZINC000414740528 316645090 /nfs/dbraw/zinc/64/50/90/316645090.db2.gz GPWCTWAIZWOYFC-OCCSQVGLSA-N 2 0 308.495 2.716 20 0 DFADRP Fc1ccc(C[NH2+]CCCN2CC[NH2+]CC2)c(Cl)c1Cl ZINC000414776533 316651435 /nfs/dbraw/zinc/65/14/35/316651435.db2.gz FNFSZQWAYOBIGX-UHFFFAOYSA-N 2 0 320.239 2.517 20 0 DFADRP [NH3+][C@@H]1CCO[C@H]1C1CC[NH+](CCCCOc2ccccc2)CC1 ZINC000414783363 316654114 /nfs/dbraw/zinc/65/41/14/316654114.db2.gz YZMUJLKAXSZSGA-MOPGFXCFSA-N 2 0 318.461 2.674 20 0 DFADRP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]C1CCN(CCC(F)(F)F)CC1 ZINC000414794155 316659926 /nfs/dbraw/zinc/65/99/26/316659926.db2.gz FHGGVECMNXOYOY-GXTWGEPZSA-N 2 0 307.404 2.510 20 0 DFADRP Cc1nn(-c2cccc(F)c2)cc1C[NH2+][C@H]1CCCC[C@@H]1C[NH3+] ZINC000414801549 316662542 /nfs/dbraw/zinc/66/25/42/316662542.db2.gz LYLAXTHQBPWEBG-KDOFPFPSSA-N 2 0 316.424 2.927 20 0 DFADRP CCOc1cc(C)ccc1NC(=O)CCC[NH+]1CCC([NH3+])CC1 ZINC000433123872 316877900 /nfs/dbraw/zinc/87/79/00/316877900.db2.gz XRJRBZSDUIPUQF-UHFFFAOYSA-N 2 0 319.449 2.536 20 0 DFADRP C[C@H](c1ccc(F)cc1)N(C)C(=O)CCC[NH+]1CCC([NH3+])CC1 ZINC000433133748 316879136 /nfs/dbraw/zinc/87/91/36/316879136.db2.gz ZRAOVMQVEYGPIN-CQSZACIVSA-N 2 0 321.440 2.548 20 0 DFADRP C[C@H]1CCCC[C@H]1CCNC(=O)CCC[NH+]1CCC([NH3+])CC1 ZINC000433133708 316879510 /nfs/dbraw/zinc/87/95/10/316879510.db2.gz ZMQCNLYCRBPUNO-HOTGVXAUSA-N 2 0 309.498 2.522 20 0 DFADRP [NH3+]C1CC[NH+](CCCC(=O)N2CCC[C@H]2c2cccs2)CC1 ZINC000433166368 316884727 /nfs/dbraw/zinc/88/47/27/316884727.db2.gz XLDUJJPZLUHZRX-HNNXBMFYSA-N 2 0 321.490 2.615 20 0 DFADRP Cc1cccc(NC(=O)C[C@@H](C)[NH2+]C2CCC([NH3+])CC2)c1C ZINC000437772190 316935841 /nfs/dbraw/zinc/93/58/41/316935841.db2.gz JMRVIYIMASHVLE-IUDNXUCKSA-N 2 0 303.450 2.880 20 0 DFADRP COC1([C@H](C)[NH2+]CCCC[N@@H+]2CCC[C@H](C)C2)CCOCC1 ZINC000453062811 317157677 /nfs/dbraw/zinc/15/76/77/317157677.db2.gz QQPSYQFXWYFQFN-IRXDYDNUSA-N 2 0 312.498 2.672 20 0 DFADRP CCC[C@@H]([NH2+]Cc1cccnc1N1CC[NH+](C)CC1)C1CCC1 ZINC000453075859 317159316 /nfs/dbraw/zinc/15/93/16/317159316.db2.gz LNUNLPZUQCJRIH-GOSISDBHSA-N 2 0 316.493 2.892 20 0 DFADRP CSCC1CCC([NH2+]CCCN2CCC[N@H+](C)CC2)CC1 ZINC000453095004 317161071 /nfs/dbraw/zinc/16/10/71/317161071.db2.gz GTOYCYBVKNRLFP-UHFFFAOYSA-N 2 0 313.555 2.525 20 0 DFADRP Cc1cnc(CC[NH2+][C@@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)cn1 ZINC000453394838 317183050 /nfs/dbraw/zinc/18/30/50/317183050.db2.gz HJGVBZYSJOJSLH-HKUYNNGSSA-N 2 0 324.472 2.828 20 0 DFADRP Cc1cc2ncc([C@@H](C)[NH2+]CCCC[N@H+](C)C3CC3)c(C)n2n1 ZINC000453405852 317183864 /nfs/dbraw/zinc/18/38/64/317183864.db2.gz QOLJSLSMHIHHHG-CQSZACIVSA-N 2 0 315.465 2.871 20 0 DFADRP C[C@@H](CC[NH+](C)C)NC(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C ZINC000455944614 317215186 /nfs/dbraw/zinc/21/51/86/317215186.db2.gz VQLXOMDVCSNHCH-SUMWQHHRSA-N 2 0 318.465 2.697 20 0 DFADRP C[C@@H](C[NH2+]C1CCN(c2cc[nH+]cc2)CC1)N1CCCC[C@@H]1C ZINC000459364744 317321663 /nfs/dbraw/zinc/32/16/63/317321663.db2.gz AIBYFJUGZMFOKC-IRXDYDNUSA-N 2 0 316.493 2.903 20 0 DFADRP CC(C)CC[NH+]1CCN(c2ccccc2OCC[NH+](C)C)CC1 ZINC000471168268 317332839 /nfs/dbraw/zinc/33/28/39/317332839.db2.gz HBFLPCJEBJEJSR-UHFFFAOYSA-N 2 0 319.493 2.795 20 0 DFADRP C[NH+](C)Cc1ccccc1C(=O)NC[C@@H]1[N@H+](C)CCCC1(C)C ZINC000487510006 317346791 /nfs/dbraw/zinc/34/67/91/317346791.db2.gz ZRACMTCTPXFUNR-KRWDZBQOSA-N 2 0 317.477 2.598 20 0 DFADRP C[C@H]([NH2+]Cc1ccccc1C[N@@H+]1CC[C@H](O)C1)[C@H]1CC1(C)C ZINC000487556794 317347284 /nfs/dbraw/zinc/34/72/84/317347284.db2.gz IPPSDIFOWBKYGJ-JCGIZDLHSA-N 2 0 302.462 2.777 20 0 DFADRP COCCSCCC[NH2+][C@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000488278031 317380457 /nfs/dbraw/zinc/38/04/57/317380457.db2.gz IFHHJTYYPIMKAN-CVEARBPZSA-N 2 0 314.539 2.999 20 0 DFADRP C[NH+](C)CCN1CCC([NH2+][C@H]2CS[C@@H](C(C)(C)C)C2)CC1 ZINC000488411490 317390672 /nfs/dbraw/zinc/39/06/72/317390672.db2.gz AIPXHMNPSOIEPT-HZPDHXFCSA-N 2 0 313.555 2.522 20 0 DFADRP CC(C)[NH+]1CCC(O)(C[NH2+][C@@H]2CS[C@@H](C(C)(C)C)C2)CC1 ZINC000488434515 317392375 /nfs/dbraw/zinc/39/23/75/317392375.db2.gz PIJXNBPFXXIQFC-LSDHHAIUSA-N 2 0 314.539 2.732 20 0 DFADRP C[C@H]1C[C@H]1C[NH2+]CCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000488448761 317394460 /nfs/dbraw/zinc/39/44/60/317394460.db2.gz NRGYHBCXSMIEMX-WMZOPIPTSA-N 2 0 302.462 2.949 20 0 DFADRP CC(C)N(CC[NH+]1CCCCCC1)C(=O)CC1CC[NH+](C)CC1 ZINC000488522873 317399512 /nfs/dbraw/zinc/39/95/12/317399512.db2.gz WAJPSEMYVGFXTI-UHFFFAOYSA-N 2 0 323.525 2.831 20 0 DFADRP C[NH2+]CCC[NH+]1CCC(Cc2nc(C3CCCC3)no2)CC1 ZINC000530220770 317776489 /nfs/dbraw/zinc/77/64/89/317776489.db2.gz CUADDURWLPKULG-UHFFFAOYSA-N 2 0 306.454 2.591 20 0 DFADRP C[C@H]1O[C@@H](C)[C@H](C)[C@H]1[NH2+][C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000530222817 317777258 /nfs/dbraw/zinc/77/72/58/317777258.db2.gz HRNAHXNAUFOTFG-AHFSAZTBSA-N 2 0 316.445 2.644 20 0 DFADRP c1cc(C[NH+]2CCC(CO[C@@H]3CC[NH2+]C3)CC2)cc2c1CCC2 ZINC000530241306 317778488 /nfs/dbraw/zinc/77/84/88/317778488.db2.gz PWIQBNDNBHVZCK-HXUWFJFHSA-N 2 0 314.473 2.766 20 0 DFADRP [NH3+][C@@H]1CCCO[C@@H]1C1CC[NH+](Cc2scnc2C2CC2)CC1 ZINC000565468149 317921604 /nfs/dbraw/zinc/92/16/04/317921604.db2.gz AAPDFDXCVILIIQ-RHSMWYFYSA-N 2 0 321.490 2.739 20 0 DFADRP C[C@@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]CCc1ccc2c(c1)OCO2 ZINC000574799924 318041202 /nfs/dbraw/zinc/04/12/02/318041202.db2.gz VZVLDAIIESUDOL-HOCLYGCPSA-N 2 0 304.434 2.858 20 0 DFADRP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+]CCc1ccc2c(c1)OCO2 ZINC000574799922 318041294 /nfs/dbraw/zinc/04/12/94/318041294.db2.gz VZVLDAIIESUDOL-GDBMZVCRSA-N 2 0 304.434 2.858 20 0 DFADRP CCC[C@](C)([NH3+])C(=O)NC[C@H](c1ccc(Cl)cc1)[NH+](C)C ZINC000574808323 318041489 /nfs/dbraw/zinc/04/14/89/318041489.db2.gz AFDNHQZCSRUDJH-ZBFHGGJFSA-N 2 0 311.857 2.576 20 0 DFADRP CC(C)CC1(C[NH2+]C[C@H](O)CN2CCc3ccccc3C2)CC1 ZINC000574911986 318050045 /nfs/dbraw/zinc/05/00/45/318050045.db2.gz KZPVPEJYDGTBJP-IBGZPJMESA-N 2 0 316.489 2.822 20 0 DFADRP Cc1cccc(NC(=O)C[C@@H](C)[NH2+]CC2(C)CC[NH2+]CC2)c1 ZINC000575914843 318091374 /nfs/dbraw/zinc/09/13/74/318091374.db2.gz JDSIVBXDFGDAKR-OAHLLOKOSA-N 2 0 303.450 2.691 20 0 DFADRP COc1sc(C[NH2+][C@H](C)C[C@H](C)[NH3+])cc1Br ZINC000575922598 318091880 /nfs/dbraw/zinc/09/18/80/318091880.db2.gz APODTTLMVLXPHF-JGVFFNPUSA-N 2 0 307.257 2.735 20 0 DFADRP C[C@H]([NH2+]CCc1cncn1C)c1ncc(Br)s1 ZINC000576085161 318102454 /nfs/dbraw/zinc/10/24/54/318102454.db2.gz DBZOYYLPCLYASC-QMMMGPOBSA-N 2 0 315.240 2.532 20 0 DFADRP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]CCc1nc(-c2ccc(Cl)cc2)no1 ZINC000576338013 318119408 /nfs/dbraw/zinc/11/94/08/318119408.db2.gz APPANHCVPIJCPL-JSGCOSHPSA-N 2 0 320.824 2.650 20 0 DFADRP COc1ccc(C[NH+]2CCC([C@H]3C[C@@H]([NH3+])CCO3)CC2)c(F)c1 ZINC000576708739 318144864 /nfs/dbraw/zinc/14/48/64/318144864.db2.gz IVTNWCUCRVWNGP-MAUKXSAKSA-N 2 0 322.424 2.553 20 0 DFADRP CCOc1cc(CCC[NH2+][C@@H]2CCC[C@@H]([NH3+])C2)ccc1OC ZINC000576718017 318145975 /nfs/dbraw/zinc/14/59/75/318145975.db2.gz NVMHTECSZNLVGL-HZPDHXFCSA-N 2 0 306.450 2.886 20 0 DFADRP CC[NH+](CC)Cc1ccccc1C[NH2+]Cc1cnc(C)n1C ZINC000577124887 318173127 /nfs/dbraw/zinc/17/31/27/318173127.db2.gz JGVBSVVDMCSZHU-UHFFFAOYSA-N 2 0 300.450 2.860 20 0 DFADRP CC(C)O[C@@H]1C[C@H]([NH2+]Cc2cc(C3CC[NH2+]CC3)no2)C1(C)C ZINC000577274850 318182366 /nfs/dbraw/zinc/18/23/66/318182366.db2.gz WTGGQFXDVIBCLA-DLBZAZTESA-N 2 0 321.465 2.823 20 0 DFADRP C[N@H+](CCC(=O)NCCC[NH+]1CCCCC1)C1CCCCC1 ZINC000577340621 318185570 /nfs/dbraw/zinc/18/55/70/318185570.db2.gz FUAFPVKJIYMJLK-UHFFFAOYSA-N 2 0 309.498 2.633 20 0 DFADRP CCO[C@@H]1C[C@@H]1[NH2+][C@H]1CC2(CC[NH+](C)CC2)Oc2ccccc21 ZINC000577574472 318201502 /nfs/dbraw/zinc/20/15/02/318201502.db2.gz DRRLCPYPQGHESN-XYJFISCASA-N 2 0 316.445 2.742 20 0 DFADRP C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)Nc1ccc2c(c1)C[NH2+]C2 ZINC000577710645 318211518 /nfs/dbraw/zinc/21/15/18/318211518.db2.gz CASVZCXQBUNBBY-KBPBESRZSA-N 2 0 316.449 2.532 20 0 DFADRP [NH3+]C1(C[NH2+][C@H]2CCC23CCOCC3)C2CC3CC(C2)CC1C3 ZINC000577740298 318213967 /nfs/dbraw/zinc/21/39/67/318213967.db2.gz SCPGZAGQMFZLNU-MGMWPHTOSA-N 2 0 304.478 2.689 20 0 DFADRP C[C@H]([NH2+][C@@H]1CCN(c2c(F)cccc2F)C1)[C@H]1CCC[NH2+]C1 ZINC000577829015 318219722 /nfs/dbraw/zinc/21/97/22/318219722.db2.gz HKMFYDITCRBCIB-MELADBBJSA-N 2 0 309.404 2.521 20 0 DFADRP O[C@H](C[NH2+]CCCCC[NH+]1CCCCC1)Cc1ccccc1 ZINC000577860160 318222254 /nfs/dbraw/zinc/22/22/54/318222254.db2.gz QUPYCNNGCMIHQU-IBGZPJMESA-N 2 0 304.478 2.836 20 0 DFADRP C[NH+]1CCC(Oc2ccc(C[NH2+][C@H]3CCC[C@@H]([NH3+])C3)cc2)CC1 ZINC000578522822 318267271 /nfs/dbraw/zinc/26/72/71/318267271.db2.gz YBBYQRIZUHQKRO-SJORKVTESA-N 3 0 317.477 2.519 20 0 DFADRP C[C@H]1C[C@H]([NH3+])CC[N@@H+]1CCc1nc(-c2cccc(Cl)c2)no1 ZINC000578663683 318276919 /nfs/dbraw/zinc/27/69/19/318276919.db2.gz JHRHFVJVGHDDMN-SMDDNHRTSA-N 2 0 320.824 2.744 20 0 DFADRP CCCCN(CC)C(=O)C1CC[NH+](C2CCN(CC)CC2)CC1 ZINC000578800613 318286176 /nfs/dbraw/zinc/28/61/76/318286176.db2.gz PRPOMEXAUJYYIG-UHFFFAOYSA-N 2 0 323.525 2.831 20 0 DFADRP COc1cc(C)ccc1[C@@H](C)[NH2+]CCN1CC[N@H+](C)C(C)(C)C1 ZINC000579071376 318304531 /nfs/dbraw/zinc/30/45/31/318304531.db2.gz BDXPFQNJVONOGK-MRXNPFEDSA-N 2 0 319.493 2.680 20 0 DFADRP O=C(Nc1ccc(C[NH2+][C@H]2CCC[NH2+]CC2)cc1)c1ccncc1 ZINC000579100017 318307012 /nfs/dbraw/zinc/30/70/12/318307012.db2.gz UERPGLWVVPHBGR-KRWDZBQOSA-N 2 0 324.428 2.566 20 0 DFADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCC[NH2+]C[C@H](O)CC(F)(F)F)C1 ZINC000579463408 318331611 /nfs/dbraw/zinc/33/16/11/318331611.db2.gz ROFZKJKIRRLSCK-HZSPNIEDSA-N 2 0 310.404 2.647 20 0 DFADRP [NH3+][C@@H]1CCC[C@@H]([NH2+]CCN2CCc3c(Cl)cccc3C2)C1 ZINC000579495164 318335420 /nfs/dbraw/zinc/33/54/20/318335420.db2.gz PHBPLOYWTPUQGR-HUUCEWRRSA-N 2 0 307.869 2.558 20 0 DFADRP Cc1ccc(C[NH2+]C[C@H]2CCC[N@H+](C)C2)c(-c2cnn(C)c2)c1 ZINC000579736997 318351749 /nfs/dbraw/zinc/35/17/49/318351749.db2.gz VZLWPKUABULMCG-MRXNPFEDSA-N 2 0 312.461 2.827 20 0 DFADRP C[C@@H]([NH3+])C[C@H](C)NC(=O)C1(C)CC[NH+](Cc2ccccc2)CC1 ZINC000580198773 318382837 /nfs/dbraw/zinc/38/28/37/318382837.db2.gz PLTFRPMWNWKWOZ-CVEARBPZSA-N 2 0 317.477 2.531 20 0 DFADRP C[N@H+](CCOc1ccc(F)cc1)Cc1ccc2c(c1)C[NH2+]CC2 ZINC000580200677 318382988 /nfs/dbraw/zinc/38/29/88/318382988.db2.gz CZXQAJZYCYKFGF-UHFFFAOYSA-N 2 0 314.404 2.982 20 0 DFADRP C[NH+](C)Cc1ccccc1C(=O)N1CCC[N@@H+](C(C)(C)C)CC1 ZINC000580267210 318386171 /nfs/dbraw/zinc/38/61/71/318386171.db2.gz JOMZQQDBWWAUQC-UHFFFAOYSA-N 2 0 317.477 2.695 20 0 DFADRP C[N@@H+](C/C=C/c1ccc(Cl)cc1)CCCN1CC[NH+](C)CC1 ZINC000189781753 323225889 /nfs/dbraw/zinc/22/58/89/323225889.db2.gz ZFQBCEKOYKDKRT-HWKANZROSA-N 2 0 321.896 2.923 20 0 DFADRP C[C@H](C[NH2+][C@H]1CCC[C@H](NC(=O)OC(C)(C)C)C1)C[NH+](C)C ZINC000381878651 323295754 /nfs/dbraw/zinc/29/57/54/323295754.db2.gz NYBGBNGDPYVCDJ-ILXRZTDVSA-N 2 0 313.486 2.610 20 0 DFADRP C[C@@H]1C[C@@H](C[N@@H+]2CCN(Cc3ccccc3)C[C@@H]2C)CC[NH2+]1 ZINC000382744598 323302145 /nfs/dbraw/zinc/30/21/45/323302145.db2.gz REOBLROIOFHMAJ-AOIWGVFYSA-N 2 0 301.478 2.581 20 0 DFADRP C[C@@H]1C[C@H](C[N@@H+]2CCN(Cc3ccccc3)C[C@H]2C)CC[NH2+]1 ZINC000382744601 323302494 /nfs/dbraw/zinc/30/24/94/323302494.db2.gz REOBLROIOFHMAJ-ZHALLVOQSA-N 2 0 301.478 2.581 20 0 DFADRP C[C@@H](NC1CC[NH+](Cc2ccccc2)CC1)[C@@H]1CCCC[NH2+]1 ZINC000386534703 323319148 /nfs/dbraw/zinc/31/91/48/323319148.db2.gz BLCOHHLRFVAFPG-APWZRJJASA-N 2 0 301.478 2.771 20 0 DFADRP Brc1cccc(C[N@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)c1 ZINC000386589824 323319673 /nfs/dbraw/zinc/31/96/73/323319673.db2.gz CZHMFRZWPNNVKH-OKILXGFUSA-N 2 0 309.251 2.881 20 0 DFADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+]Cc1c(C2CC2)nc2sccn12 ZINC000580289968 323365508 /nfs/dbraw/zinc/36/55/08/323365508.db2.gz QFFAVRZRUUCPDP-DOOHLRMFSA-N 2 0 316.474 2.879 20 0 DFADRP [NH3+]CCCCC(=O)NCc1cccc(C[NH+]2CCCCCC2)c1 ZINC000580321465 323370164 /nfs/dbraw/zinc/37/01/64/323370164.db2.gz JXWWPUUNPMKJRT-UHFFFAOYSA-N 2 0 317.477 2.808 20 0 DFADRP CC[N@H+]1C[C@@H](C)N(C(=O)[C@H]2CC[NH+](C3CCCCC3)C2)[C@@H](C)C1 ZINC000580345496 323373609 /nfs/dbraw/zinc/37/36/09/323373609.db2.gz KMAOGIQZMPUPEP-BBWFWOEESA-N 2 0 321.509 2.582 20 0 DFADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+][C@@H]1CCO[C@@H](c2cncn2C)C1 ZINC000581245740 323495890 /nfs/dbraw/zinc/49/58/90/323495890.db2.gz UWZLZLHNDNQWDZ-KYHPRHEASA-N 2 0 320.481 2.541 20 0 DFADRP Cc1ccc(C[NH2+][C@@H]2CCC[C@@H]([NH3+])C2)c(-n2cc(Cl)cn2)n1 ZINC000581834993 323576010 /nfs/dbraw/zinc/57/60/10/323576010.db2.gz IPOBRAHTGBDEJN-HUUCEWRRSA-N 2 0 319.840 2.589 20 0 DFADRP [NH3+]CC1CCC([NH2+][C@@H](CO)c2ccc(C(F)(F)F)cc2)CC1 ZINC000582354409 323656916 /nfs/dbraw/zinc/65/69/16/323656916.db2.gz FVNKIUJPARWINZ-KWCHVYNWSA-N 2 0 316.367 2.846 20 0 DFADRP CC1CCC([NH2+]CCCN2CCN(c3cc[nH+]cc3)CC2)CC1 ZINC000582377722 323662491 /nfs/dbraw/zinc/66/24/91/323662491.db2.gz WRMDQMKNFLNZIU-UHFFFAOYSA-N 2 0 316.493 2.762 20 0 DFADRP [NH3+][C@@H]1CCC[C@H]([NH2+]CCc2nc(-c3ccncc3)cs2)C1 ZINC000582735976 323729196 /nfs/dbraw/zinc/72/91/96/323729196.db2.gz QTUMVAHBQMJIRU-KGLIPLIRSA-N 2 0 302.447 2.607 20 0 DFADRP Cc1cc(C[NH3+])cc(NC(=O)N2C[C@H]([NH+]3CCCC3)C[C@H]2C)c1 ZINC000331932413 534175384 /nfs/dbraw/zinc/17/53/84/534175384.db2.gz LFQDOUYKBGKCMK-RHSMWYFYSA-N 2 0 316.449 2.544 20 0 DFADRP CC(C)CC[NH+]1CCC(CNC(=O)C[C@@H]2CCC[NH2+]CC2)CC1 ZINC000364212550 519653101 /nfs/dbraw/zinc/65/31/01/519653101.db2.gz FSCFRHXIQKRZEW-QGZVFWFLSA-N 2 0 323.525 2.641 20 0 DFADRP CC(C)Oc1ccc(C[NH2+][C@@H]2CC[N@H+](C)[C@@H]3CCC[C@@H]32)cn1 ZINC000367603351 519779907 /nfs/dbraw/zinc/77/99/07/519779907.db2.gz ZEYXIWGAJYRQAC-BRWVUGGUSA-N 2 0 303.450 2.831 20 0 DFADRP c1csc(C[NH+]2CCC(C[NH2+][C@H]3CCn4ccnc43)CC2)c1 ZINC000297544415 534519928 /nfs/dbraw/zinc/51/99/28/534519928.db2.gz FEXKAWYDBXSRFJ-INIZCTEOSA-N 2 0 316.474 2.891 20 0 DFADRP Cc1ccc2[nH+]ccc(NC[C@@H](c3cnn(C)c3)[NH+](C)C)c2c1 ZINC000302167915 534523520 /nfs/dbraw/zinc/52/35/20/534523520.db2.gz SJGITAUPPBEKJI-SFHVURJKSA-N 2 0 309.417 2.992 20 0 DFADRP CCCC[C@@H]([NH3+])C(=O)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000154547076 521067369 /nfs/dbraw/zinc/06/73/69/521067369.db2.gz SYAWWQIGIKCNJA-GOEBONIOSA-N 2 0 323.506 2.594 20 0 DFADRP CCOC(=O)c1coc(C[NH2+]CCC2CC[NH+](CC)CC2)c1 ZINC000354474315 521584402 /nfs/dbraw/zinc/58/44/02/521584402.db2.gz ZVSWGYHGZKMRTI-UHFFFAOYSA-N 2 0 308.422 2.668 20 0 DFADRP CC[NH+]1CCN(CCCC[NH2+][C@H](C)c2csc(C)n2)CC1 ZINC000361093809 521679853 /nfs/dbraw/zinc/67/98/53/521679853.db2.gz COWBHRGPONUMPI-CQSZACIVSA-N 2 0 310.511 2.520 20 0 DFADRP Cc1[nH+]c2ccccc2c(N2CC[NH+](CC(C)(C)O)CC2)c1C ZINC000302064711 534671679 /nfs/dbraw/zinc/67/16/79/534671679.db2.gz DQYIQKXJCANRNB-UHFFFAOYSA-N 2 0 313.445 2.745 20 0 DFADRP C[N@H+]1CC=C(C[NH2+]C2CCC(O)(c3ccccc3)CC2)CC1 ZINC000364113680 523748463 /nfs/dbraw/zinc/74/84/63/523748463.db2.gz XDBWFDCSYUUDAX-UHFFFAOYSA-N 2 0 300.446 2.668 20 0 DFADRP C[N@@H+]1CCC[C@@H](CNC(=O)C(C)(C)[NH3+])[C@@H]1c1cccc(Cl)c1 ZINC000364848545 523813139 /nfs/dbraw/zinc/81/31/39/523813139.db2.gz ALWZTTYUDIOLHL-ZFWWWQNUSA-N 2 0 323.868 2.576 20 0 DFADRP C[N@@H+]1CCC[C@H](CNC(=O)CCC[NH3+])[C@@H]1c1cccc(Cl)c1 ZINC000364848647 523840239 /nfs/dbraw/zinc/84/02/39/523840239.db2.gz BOKSBQBMNJQLNC-PBHICJAKSA-N 2 0 323.868 2.578 20 0 DFADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]C[C@H]1Cc2ccccc2N(C)C1 ZINC000364852654 524914607 /nfs/dbraw/zinc/91/46/07/524914607.db2.gz ICRFNZGTFWRSIX-YFHUEUNASA-N 2 0 301.478 2.613 20 0 DFADRP c1ccc(C[NH+]2CC[C@H](CN[C@H]3CC[N@@H+]4CCC[C@H]4C3)C2)cc1 ZINC000249158108 526469258 /nfs/dbraw/zinc/46/92/58/526469258.db2.gz XSQFSWRZQWDWOY-AABGKKOBSA-N 2 0 313.489 2.725 20 0 DFADRP CC(C)(CO)CC[NH2+][C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000294802334 527203952 /nfs/dbraw/zinc/20/39/52/527203952.db2.gz MZMUMQVYZBCQBQ-GBESFXJTSA-N 2 0 316.489 2.895 20 0 DFADRP CCC[N@H+](C)C[C@H]1CC[NH+](CCN2CCc3ccccc32)C1 ZINC000292396140 527849797 /nfs/dbraw/zinc/84/97/97/527849797.db2.gz IWWKPWNVACNUPL-QGZVFWFLSA-N 2 0 301.478 2.713 20 0 DFADRP CCC[NH+](CCC)CCCNC(=O)[C@@H]([NH3+])c1ccccc1C ZINC000294961308 528058336 /nfs/dbraw/zinc/05/83/36/528058336.db2.gz FYGUDNSMBKBSRM-KRWDZBQOSA-N 2 0 305.466 2.623 20 0 DFADRP CCN(CCC[NH+](CC)CC)C(=O)[C@@H]([NH3+])c1ccc(C)cc1 ZINC000318769997 528102282 /nfs/dbraw/zinc/10/22/82/528102282.db2.gz GDJNNIQCKBYSRM-KRWDZBQOSA-N 2 0 305.466 2.575 20 0 DFADRP CC[NH+](CC)C[C@H]1CC[N@H+](C[C@@H](Cc2ccccc2)OC)C1 ZINC000295087458 528185022 /nfs/dbraw/zinc/18/50/22/528185022.db2.gz RTWQOPSIRVKHCF-RTBURBONSA-N 2 0 304.478 2.908 20 0 DFADRP CC(C)C[C@H]([NH3+])CN(C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000309740201 528552791 /nfs/dbraw/zinc/55/27/91/528552791.db2.gz VPZFOLCBMPYNJY-SFHVURJKSA-N 2 0 303.494 2.956 20 0 DFADRP CCC[NH2+][C@H](C)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000294997698 528557679 /nfs/dbraw/zinc/55/76/79/528557679.db2.gz IBLCWWLJNOXMLC-JZXOWHBKSA-N 2 0 317.477 2.544 20 0 DFADRP CC(C)n1ncc2cc(C[N@@H+]3CCC4(C3)CC[NH2+]CC4)cnc21 ZINC000261677296 535137224 /nfs/dbraw/zinc/13/72/24/535137224.db2.gz AARXACQQMYPIFY-UHFFFAOYSA-N 2 0 313.449 2.588 20 0 DFADRP CC(C)[NH+]1CCC(C(=O)NCC[NH2+]C2CCCCCC2)CC1 ZINC000261714554 535146899 /nfs/dbraw/zinc/14/68/99/535146899.db2.gz QCZQZKMTWJOYJG-UHFFFAOYSA-N 2 0 309.498 2.535 20 0 DFADRP CCCC[N@H+](C)CC1CC[NH+](CCCc2nc(C)no2)CC1 ZINC000357727768 535215256 /nfs/dbraw/zinc/21/52/56/535215256.db2.gz HUEURYBRJRUWJT-UHFFFAOYSA-N 2 0 308.470 2.755 20 0 DFADRP CC[NH2+]CC1CC[NH+](Cc2c(OC)cc(OC)cc2OC)CC1 ZINC000261710809 535459951 /nfs/dbraw/zinc/45/99/51/535459951.db2.gz KYMGTQJVQIARNZ-UHFFFAOYSA-N 2 0 322.449 2.534 20 0 DFADRP CC[C@@H]([NH2+]CCC[N@@H+]1CCC[C@@H](C(N)=O)C1)C1CCCCC1 ZINC000361173861 535803652 /nfs/dbraw/zinc/80/36/52/535803652.db2.gz NNPJNPDBFDQSTG-IAGOWNOFSA-N 2 0 309.498 2.522 20 0 DFADRP CCc1ccccc1CC[N@@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@H]21 ZINC000369348044 535932784 /nfs/dbraw/zinc/93/27/84/535932784.db2.gz GUNISXKJLTXSQQ-VAMGGRTRSA-N 2 0 316.489 2.975 20 0 DFADRP CC[C@H](C)[C@H]([NH3+])C(=O)NC1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000167794834 535952450 /nfs/dbraw/zinc/95/24/50/535952450.db2.gz NMGHJRZHYMYACZ-MPGHIAIKSA-N 2 0 317.477 2.702 20 0 DFADRP C[NH+](C)Cc1ccc(-c2noc([C@@]3(C)CCCC[NH2+]3)n2)cc1 ZINC000261669076 535994239 /nfs/dbraw/zinc/99/42/39/535994239.db2.gz GBLDFGWJXSMZJH-QGZVFWFLSA-N 2 0 300.406 2.787 20 0 DFADRP CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)c1ccccc1C[NH+](C)C ZINC000362863401 536040743 /nfs/dbraw/zinc/04/07/43/536040743.db2.gz MPYKDHKSPBYZNE-KRWDZBQOSA-N 2 0 317.477 2.695 20 0 DFADRP C[NH+](C)CCOc1ccc(C[NH2+][C@H](CO)c2ccsc2)cc1 ZINC000681134649 545601961 /nfs/dbraw/zinc/60/19/61/545601961.db2.gz KPFFLFHKMYMPSM-QGZVFWFLSA-N 2 0 320.458 2.512 20 0 DFADRP CC[C@@]1(O)CC[N@H+](Cc2ccc(OCC[NH+]3CCCC3)cc2)C1 ZINC000681755559 545716040 /nfs/dbraw/zinc/71/60/40/545716040.db2.gz VNYDBNHGZUBCHX-LJQANCHMSA-N 2 0 318.461 2.508 20 0 DFADRP C[NH+]1CCN(C(C)(C)C[NH2+][C@H]2CC[C@@H](c3ccccc3)C2)CC1 ZINC000681972186 545763062 /nfs/dbraw/zinc/76/30/62/545763062.db2.gz ULFQUIIWTVBOFN-MOPGFXCFSA-N 2 0 315.505 2.938 20 0 DFADRP c1ccc(N2C[C@H]3C[NH+](CCC[NH+]4CCCCC4)C[C@@H]3C2)cc1 ZINC000682027660 545778479 /nfs/dbraw/zinc/77/84/79/545778479.db2.gz GDNXELPXWVSFPT-RTBURBONSA-N 2 0 313.489 2.931 20 0 DFADRP c1ccc(N2C[C@@H]3C[N@H+](CCC[NH+]4CCCCC4)C[C@@H]3C2)cc1 ZINC000682027658 545779316 /nfs/dbraw/zinc/77/93/16/545779316.db2.gz GDNXELPXWVSFPT-KDURUIRLSA-N 2 0 313.489 2.931 20 0 DFADRP CO[C@@]1(C(F)(F)F)CCCN(CC[C@@H]2CCCC[N@@H+]2C)C1 ZINC000682036916 545780694 /nfs/dbraw/zinc/78/06/94/545780694.db2.gz HLWVPRHBWQGXBA-KBPBESRZSA-N 2 0 308.388 2.904 20 0 DFADRP C[C@H]([NH2+][C@H]1CCCN(C2CCCCC2)C1=O)C1CC[NH+](C)CC1 ZINC000682376777 545833580 /nfs/dbraw/zinc/83/35/80/545833580.db2.gz HIDWGWHSJTXXBN-YJBOKZPZSA-N 2 0 321.509 2.630 20 0 DFADRP C[C@@H]([NH2+][C@@H]1CCCN(C2CCCCC2)C1=O)C1CC[NH+](C)CC1 ZINC000682376771 545833692 /nfs/dbraw/zinc/83/36/92/545833692.db2.gz HIDWGWHSJTXXBN-CRAIPNDOSA-N 2 0 321.509 2.630 20 0 DFADRP C[C@H](O)[C@](C)(C[NH2+][C@@H](C)C1CC[NH+](C)CC1)Cc1ccccc1 ZINC000682914395 545940366 /nfs/dbraw/zinc/94/03/66/545940366.db2.gz NGODDPKPLPZARR-ZWOKBUDYSA-N 2 0 318.505 2.936 20 0 DFADRP C[C@H]([NH2+]C[C@]1(CO)C[C@@H]1c1ccc(F)cc1)C1CC[NH+](C)CC1 ZINC000683229781 545993122 /nfs/dbraw/zinc/99/31/22/545993122.db2.gz WHHBNVVOLDGXBA-KYNGSXCRSA-N 2 0 320.452 2.612 20 0 DFADRP OC[C@@H](CC1CC1)[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000683691433 546076549 /nfs/dbraw/zinc/07/65/49/546076549.db2.gz GSPIFWKKACJGMV-WTGUMLROSA-N 2 0 314.473 2.933 20 0 DFADRP CC(C)[C@@H](CO)C[NH2+][C@H]1C[C@@H](C)CN(Cc2ccccc2)C1 ZINC000685448667 546351348 /nfs/dbraw/zinc/35/13/48/546351348.db2.gz IUVMERGBYGDPCQ-QRQLOZEOSA-N 2 0 304.478 2.751 20 0 DFADRP C[C@H](Cc1ccsc1)[N@H+](C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000685457665 546353937 /nfs/dbraw/zinc/35/39/37/546353937.db2.gz ITIZIPHRHDRGDR-CRAIPNDOSA-N 2 0 321.534 2.779 20 0 DFADRP Cn1nc(C[N@@H+]2CC[C@@H](C3CC[NH+](C)CC3)C2)c2ccccc21 ZINC000685463166 546354730 /nfs/dbraw/zinc/35/47/30/546354730.db2.gz VKNDCKOMCCERBT-MRXNPFEDSA-N 2 0 312.461 2.737 20 0 DFADRP C[NH+]1CCC([C@H]2CC[N@H+](Cc3nc4c(s3)CCC4)C2)CC1 ZINC000685463163 546355345 /nfs/dbraw/zinc/35/53/45/546355345.db2.gz UIVXFWNLDBGQJG-AWEZNQCLSA-N 2 0 305.491 2.796 20 0 DFADRP CC(C)(O)CC[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000278356222 214112397 /nfs/dbraw/zinc/11/23/97/214112397.db2.gz BAHKCQQHQKVIOU-BCDXTJNWSA-N 2 0 302.462 2.933 20 0 DFADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]C[C@H](O)c1cc(F)cc(Cl)c1 ZINC000278390455 214136753 /nfs/dbraw/zinc/13/67/53/214136753.db2.gz AHMGRQJJILGPTL-WVATUKLVSA-N 2 0 314.832 2.831 20 0 DFADRP c1nn(-c2ccccc2)cc1C[NH2+]CC1CC[NH+](C2CC2)CC1 ZINC000278474498 214177507 /nfs/dbraw/zinc/17/75/07/214177507.db2.gz IHUHMCIUTURGQX-UHFFFAOYSA-N 2 0 310.445 2.836 20 0 DFADRP CC(C)[NH+]1CCC(O)(C[NH2+]Cc2sccc2Cl)CC1 ZINC000278508186 214200619 /nfs/dbraw/zinc/20/06/19/214200619.db2.gz OLLRBIHUBXKJOS-UHFFFAOYSA-N 2 0 302.871 2.726 20 0 DFADRP C[C@H]([NH2+]C[C@H]1CCC[N@H+](Cc2ccccc2)C1)c1cnn(C)c1 ZINC000309696086 231101973 /nfs/dbraw/zinc/10/19/73/231101973.db2.gz DZORIRUKZMBUEA-FUHWJXTLSA-N 2 0 312.461 2.983 20 0 DFADRP OCCCCC[N@@H+]1C[C@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000310010529 231110020 /nfs/dbraw/zinc/11/00/20/231110020.db2.gz KFEJAVSKPNNPAY-MOPGFXCFSA-N 2 0 302.462 2.603 20 0 DFADRP C[NH+](C)CCOc1ccccc1C[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000278747788 214372472 /nfs/dbraw/zinc/37/24/72/214372472.db2.gz NTCONNGTCNCNPF-JQHSSLGASA-N 2 0 318.461 2.530 20 0 DFADRP C[C@H]1CC[N@H+](CCCc2nc(-c3cccs3)no2)C[C@@H]1C[NH3+] ZINC000318004469 231165072 /nfs/dbraw/zinc/16/50/72/231165072.db2.gz GWIWZSAYEDEGOT-STQMWFEESA-N 2 0 320.462 2.647 20 0 DFADRP C[C@H]1C[C@H](C)C[NH+](Cc2ccccc2CNC2=[NH+]CCCN2)C1 ZINC000066243461 398364268 /nfs/dbraw/zinc/36/42/68/398364268.db2.gz JAHJEXZPTNVJPN-HOTGVXAUSA-N 2 0 314.477 2.603 20 0 DFADRP CC1(C[NH2+]Cc2sccc2Br)CC[NH2+]CC1 ZINC000087575967 185228776 /nfs/dbraw/zinc/22/87/76/185228776.db2.gz LBSGCRCMMQJLID-UHFFFAOYSA-N 2 0 303.269 2.990 20 0 DFADRP CC[NH+](CC)Cc1cccc(CNC(=O)[C@H]([NH3+])CC(C)C)c1 ZINC000236905876 398365955 /nfs/dbraw/zinc/36/59/55/398365955.db2.gz GMCLELGOKOPKFN-QGZVFWFLSA-N 2 0 305.466 2.518 20 0 DFADRP CC(C)Cc1ccc(C[NH2+]CCCN2CC[NH+](C)CC2)cc1 ZINC000088296508 185244818 /nfs/dbraw/zinc/24/48/18/185244818.db2.gz NLUJFBXONLCWCR-UHFFFAOYSA-N 2 0 303.494 2.612 20 0 DFADRP C[C@H]([NH2+]Cc1ccc(C(=O)NCC[NH+](C)C)cc1)C(C)(C)C ZINC000090038610 185279248 /nfs/dbraw/zinc/27/92/48/185279248.db2.gz ZZFLDZZPEKXOQD-AWEZNQCLSA-N 2 0 305.466 2.502 20 0 DFADRP CC[N@@H+]1CC[C@@H]([NH2+]CCCOc2cccc(OC)c2)[C@H](C)C1 ZINC000090060410 185280007 /nfs/dbraw/zinc/28/00/07/185280007.db2.gz OWJABDJTTGFTHX-CRAIPNDOSA-N 2 0 306.450 2.784 20 0 DFADRP CCC[N@H+](CC)Cc1ccc(C(=O)N[C@@H]2CC[NH2+][C@H](C)C2)cc1 ZINC000278209124 214025080 /nfs/dbraw/zinc/02/50/80/214025080.db2.gz HLBQLOWEOZLCJH-CRAIPNDOSA-N 2 0 317.477 2.789 20 0 DFADRP CCO[C@@H]1C[C@H]([NH2+]CCCC[N@@H+]2CCC[C@@H](C)C2)[C@H]1SC ZINC000459374786 299090240 /nfs/dbraw/zinc/09/02/40/299090240.db2.gz MFSCVUUAZBHWEM-YYIAUSFCSA-N 2 0 314.539 2.997 20 0 DFADRP Cc1cc(C)c([C@@H](C)[NH2+]C[C@H](C)N2CC[NH+](C)CC2)cc1C ZINC000127812733 282957675 /nfs/dbraw/zinc/95/76/75/282957675.db2.gz DVAIOIGTGSYUET-ZWKOTPCHSA-N 2 0 303.494 2.898 20 0 DFADRP C[NH+](C)CCC1CC[NH+](Cc2ccc([S@](C)=O)cc2)CC1 ZINC000092381325 185314575 /nfs/dbraw/zinc/31/45/75/185314575.db2.gz FCFGBNLHUUEFTH-OAQYLSRUSA-N 2 0 308.491 2.588 20 0 DFADRP C[N@H+](CCCN1CC[NH+](C)CC1)Cc1ccc(Cl)cc1F ZINC000181366945 199285796 /nfs/dbraw/zinc/28/57/96/199285796.db2.gz JWJYYNJNCLVRCX-UHFFFAOYSA-N 2 0 313.848 2.548 20 0 DFADRP CCO[C@@H]1C[C@H]([NH2+]C[C@H](C)N2CCC[C@@H](C)C2)[C@H]1SC ZINC000459385326 299092559 /nfs/dbraw/zinc/09/25/59/299092559.db2.gz ZWQRISYINXHFSU-LYYZXLFJSA-N 2 0 300.512 2.605 20 0 DFADRP Cc1ccc(C[NH+]2CCC(C[NH+]3C[C@H](C)O[C@@H](C)C3)CC2)o1 ZINC000092587125 185327714 /nfs/dbraw/zinc/32/77/14/185327714.db2.gz BCYBEIILIAPHJM-HOTGVXAUSA-N 2 0 306.450 2.909 20 0 DFADRP C[C@@H](c1ccc2c(c1)CCC2)[N@H+](C)CCCN1CC[NH+](C)CC1 ZINC000459389825 299094404 /nfs/dbraw/zinc/09/44/04/299094404.db2.gz MSFIOBSSSITMSQ-KRWDZBQOSA-N 2 0 315.505 2.806 20 0 DFADRP CN(CC[N@H+](C)CC1CCC(F)(F)CC1)C1CC[NH+](C)CC1 ZINC000459396172 299096312 /nfs/dbraw/zinc/09/63/12/299096312.db2.gz VJAFKJJIVXEHLM-UHFFFAOYSA-N 2 0 317.468 2.770 20 0 DFADRP Cc1cc(F)c(C[NH2+]CC2CC[NH+](CCO)CC2)c(Cl)c1 ZINC000459402175 299097540 /nfs/dbraw/zinc/09/75/40/299097540.db2.gz NKZWTLRYBKVNJU-UHFFFAOYSA-N 2 0 314.832 2.581 20 0 DFADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+]Cc2ccc(C3CC3)cc2)CC1 ZINC000459404738 299098300 /nfs/dbraw/zinc/09/83/00/299098300.db2.gz JGYYIQYOAXZEPL-KRWDZBQOSA-N 2 0 315.505 2.927 20 0 DFADRP CC[NH+](CC)C[C@@H]1CCN(CCC(=O)OCc2ccccc2)C1 ZINC000181466681 199301111 /nfs/dbraw/zinc/30/11/11/199301111.db2.gz TVCLKTLTSKACNQ-SFHVURJKSA-N 2 0 318.461 2.784 20 0 DFADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]C[C@@H]1CCCCN1C1CC1 ZINC000584714332 398401390 /nfs/dbraw/zinc/40/13/90/398401390.db2.gz ISTWSXUFQYFEQO-GUYCJALGSA-N 2 0 302.466 2.516 20 0 DFADRP OC[C@@H]([NH2+]C1CCN(c2cc[nH+]cc2)CC1)c1cccc(F)c1 ZINC000459411037 299100198 /nfs/dbraw/zinc/10/01/98/299100198.db2.gz IOQASFWFIFGESB-GOSISDBHSA-N 2 0 315.392 2.513 20 0 DFADRP CC(C)[NH+]1CCC(O)(C[NH2+]Cc2ccc3occc3c2)CC1 ZINC000286645370 219100797 /nfs/dbraw/zinc/10/07/97/219100797.db2.gz TXSPLMJQLFYMDS-UHFFFAOYSA-N 2 0 302.418 2.758 20 0 DFADRP COC(=O)c1ccc(C[N@@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)cc1 ZINC000592433643 398425664 /nfs/dbraw/zinc/42/56/64/398425664.db2.gz MXIPKGDRKKNXKN-ROUUACIJSA-N 2 0 316.445 2.685 20 0 DFADRP CCOC(=O)CCCCC[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000592491668 398433756 /nfs/dbraw/zinc/43/37/56/398433756.db2.gz FWBTZAAVPAJDQA-IRXDYDNUSA-N 2 0 310.482 2.822 20 0 DFADRP COC(=O)[C@H](C)[C@@H]([NH2+]CCCC1CC[NH2+]CC1)c1ccccc1 ZINC000592495616 398433892 /nfs/dbraw/zinc/43/38/92/398433892.db2.gz NGGUNLZGWGSDSD-CRAIPNDOSA-N 2 0 318.461 2.906 20 0 DFADRP CCc1nc(C[NH2+]CCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)cs1 ZINC000067452507 398434678 /nfs/dbraw/zinc/43/46/78/398434678.db2.gz FQWCVJOWUZOCMM-OKILXGFUSA-N 2 0 311.495 2.685 20 0 DFADRP C[NH2+]CC1CC[NH+](CCCc2nc(-c3cccs3)no2)CC1 ZINC000316175749 529958871 /nfs/dbraw/zinc/95/88/71/529958871.db2.gz UZFCOPXFLBNZHU-UHFFFAOYSA-N 2 0 320.462 2.662 20 0 DFADRP OC[C@@H](CC1CCCC1)[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000459449926 299109619 /nfs/dbraw/zinc/10/96/19/299109619.db2.gz JOMSKCUIKSNQEJ-QGZVFWFLSA-N 2 0 303.450 2.581 20 0 DFADRP COC(=O)[C@H](CC(C)C)[N@@H+]1CC[C@@H](CNc2cc(C)cc[nH+]2)C1 ZINC000586763960 398455269 /nfs/dbraw/zinc/45/52/69/398455269.db2.gz JLVMUIWZUCGRTF-HOTGVXAUSA-N 2 0 319.449 2.712 20 0 DFADRP CC(C)(C)[NH+]1CCC([NH2+]C2CCN(c3nccs3)CC2)CC1 ZINC000089513138 398456753 /nfs/dbraw/zinc/45/67/53/398456753.db2.gz CGWTYODZBNJOLD-UHFFFAOYSA-N 2 0 322.522 2.964 20 0 DFADRP C[N@@H+]1CC[C@H]([NH2+]CCCCC(=O)OC(C)(C)C)[C@H]2CCC[C@@H]21 ZINC000586791446 398460148 /nfs/dbraw/zinc/46/01/48/398460148.db2.gz CNPBVBYWEWYDPS-PMPSAXMXSA-N 2 0 310.482 2.961 20 0 DFADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]CC1([C@H](O)c2ccccc2)CC1 ZINC000090771104 398492872 /nfs/dbraw/zinc/49/28/72/398492872.db2.gz IUXKNURTFXUUKC-XYVMCAHJSA-N 2 0 302.462 2.819 20 0 DFADRP CCO[C@@H]1C[C@@H]([NH2+]CC(C)(C)C[NH+]2CCCC2)[C@@H]1SC ZINC000459516746 299123891 /nfs/dbraw/zinc/12/38/91/299123891.db2.gz IIJJEMIQGCONSU-KFWWJZLASA-N 2 0 300.512 2.607 20 0 DFADRP COc1ccc(OC)c(CCC[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000090888325 398495847 /nfs/dbraw/zinc/49/58/47/398495847.db2.gz LJNCNAURCIFYFW-IAGOWNOFSA-N 2 0 318.461 2.853 20 0 DFADRP Cc1cc2ncn(C[C@@H](O)C[N@@H+](C)[C@H](C)C3CC3)c2cc1C ZINC000303095143 398497705 /nfs/dbraw/zinc/49/77/05/398497705.db2.gz OEFFEYUMZJLJRU-ZBFHGGJFSA-N 2 0 301.434 2.744 20 0 DFADRP C[C@@H]([NH2+]CC[C@@H]1CCCC[N@@H+]1C)c1ccc(-n2cncn2)cc1 ZINC000272703392 210108855 /nfs/dbraw/zinc/10/88/55/210108855.db2.gz ZLZCPKRPRKBBNH-WBVHZDCISA-N 2 0 313.449 2.792 20 0 DFADRP c1cc(N2CCC([NH2+]C3CC([NH+]4CCCCC4)C3)CC2)cc[nH+]1 ZINC000459526597 299126173 /nfs/dbraw/zinc/12/61/73/299126173.db2.gz MGUQARWYFCXBLA-UHFFFAOYSA-N 3 0 314.477 2.657 20 0 DFADRP CCC1(CC)[C@H]([NH2+]CC2(SC)CC[NH+](C)CC2)C[C@H]1OC ZINC000353609839 282445313 /nfs/dbraw/zinc/44/53/13/282445313.db2.gz KRODFLVRIWIVND-HUUCEWRRSA-N 2 0 314.539 2.997 20 0 DFADRP CC[NH+](CC)CC(=O)NCC(C)(C)[NH2+][C@H](C)c1ccccc1 ZINC000068386562 190765279 /nfs/dbraw/zinc/76/52/79/190765279.db2.gz VCLOUPNYOJKXMB-OAHLLOKOSA-N 2 0 305.466 2.574 20 0 DFADRP C[C@@H]1C[NH+](CCCC[NH2+]Cc2ccc(F)cc2F)C[C@@H](C)O1 ZINC000067452982 282478103 /nfs/dbraw/zinc/47/81/03/282478103.db2.gz MXSMDKVVEOOGEA-ZIAGYGMSSA-N 2 0 312.404 2.944 20 0 DFADRP c1cc2ccc(C[NH2+]C3CCN(c4cc[nH+]cc4)CC3)nc2[nH]1 ZINC000459557800 299132830 /nfs/dbraw/zinc/13/28/30/299132830.db2.gz FANSXRZCUSVJII-UHFFFAOYSA-N 2 0 307.401 2.717 20 0 DFADRP CC[NH+](CC)[C@H](CNC(=O)CC[NH2+]C(C)C)c1ccccc1 ZINC000314556002 398520378 /nfs/dbraw/zinc/52/03/78/398520378.db2.gz LJSAEZCANVTNHS-QGZVFWFLSA-N 2 0 305.466 2.574 20 0 DFADRP CC[C@H](CCO)C[NH2+][C@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272672860 210075759 /nfs/dbraw/zinc/07/57/59/210075759.db2.gz QCCPTAHFAUVMTJ-LMMKCTJWSA-N 2 0 304.478 2.895 20 0 DFADRP C[N@H+](CCCNC(=O)CC[C@H]1CCC[NH2+]C1)C1CCCCC1 ZINC000314804034 398522269 /nfs/dbraw/zinc/52/22/69/398522269.db2.gz MEKHURSASHSOLK-MRXNPFEDSA-N 2 0 309.498 2.537 20 0 DFADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+][C@@H](C)c2sccc2C)CC1 ZINC000121230262 185768598 /nfs/dbraw/zinc/76/85/98/185768598.db2.gz JZKVZYUSNRKZAA-HOCLYGCPSA-N 2 0 309.523 2.981 20 0 DFADRP O[C@@H]1CCC[C@H]1[NH2+][C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000459585279 299141469 /nfs/dbraw/zinc/14/14/69/299141469.db2.gz JVWBDDBYYAZUDJ-OMQSBVIBSA-N 2 0 314.473 2.790 20 0 DFADRP C[N@@H+]1CCCC[C@H]1CC[NH+]1CC[C@](C)(C(=O)OC(C)(C)C)C1 ZINC000459592657 299142815 /nfs/dbraw/zinc/14/28/15/299142815.db2.gz VEZRWJWNOMUJQA-YJBOKZPZSA-N 2 0 310.482 2.915 20 0 DFADRP COC[C@H]([NH2+]CC1(C)CC[NH+](C)CC1)c1ccc(F)c(F)c1 ZINC000272616148 210016865 /nfs/dbraw/zinc/01/68/65/210016865.db2.gz XEOAFFPYEGZLEF-INIZCTEOSA-N 2 0 312.404 2.974 20 0 DFADRP CC[C@@H]1OCC[C@H]1[NH2+][C@@H](C)c1cccc(OCC[NH+](C)C)c1 ZINC000414197686 295776767 /nfs/dbraw/zinc/77/67/67/295776767.db2.gz BWHNWXBIHSMZCO-QGTPRVQTSA-N 2 0 306.450 2.845 20 0 DFADRP C[C@@H](c1cccnc1)[NH+]1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000069016925 398543952 /nfs/dbraw/zinc/54/39/52/398543952.db2.gz NMMKCLCTTASKLD-BBWFWOEESA-N 2 0 317.477 2.964 20 0 DFADRP CCn1cc(C[NH2+][C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]23)cn1 ZINC000272613666 210014752 /nfs/dbraw/zinc/01/47/52/210014752.db2.gz WVXUBUPGNUDSHS-HSALFYBXSA-N 2 0 324.472 2.903 20 0 DFADRP CC(C)[C@@H](C(=O)Nc1cccc(CC[NH+]2CCCC2)c1)[NH+](C)C ZINC000091824480 398546430 /nfs/dbraw/zinc/54/64/30/398546430.db2.gz SECKIYQAIJLJNN-SFHVURJKSA-N 2 0 317.477 2.850 20 0 DFADRP COc1ccc(C[C@H](C)[NH2+]C[C@@H]2CC[N@@H+](C(C)C)C2)cc1OC ZINC000320271775 398546676 /nfs/dbraw/zinc/54/66/76/398546676.db2.gz UFJZIWOKKGWGSI-RDJZCZTQSA-N 2 0 320.477 2.955 20 0 DFADRP COCCC[NH+]1CCC([NH2+][C@@H](C)[C@H](OC)c2ccccc2)CC1 ZINC000279744296 215110086 /nfs/dbraw/zinc/11/00/86/215110086.db2.gz PHFJOJVUOVCDNF-LPHOPBHVSA-N 2 0 320.477 2.853 20 0 DFADRP c1cc2c(cc1CN1CCC([NH+]3CCCCC3)CC1)C[NH2+]CC2 ZINC000321849016 398554533 /nfs/dbraw/zinc/55/45/33/398554533.db2.gz BSMLFOLOMYNPHM-UHFFFAOYSA-N 2 0 313.489 2.783 20 0 DFADRP COC(=O)c1ccc(CN2CCC[C@H]3C[N@H+](C)CC[C@H]32)cc1F ZINC000597133381 398573515 /nfs/dbraw/zinc/57/35/15/398573515.db2.gz SSWZJALHRJOLJA-WMLDXEAASA-N 2 0 320.408 2.528 20 0 DFADRP C[C@H](CC(=O)N1CCCCCC1)[NH2+]Cc1ccc2c[nH+]cn2c1 ZINC000459647959 299155999 /nfs/dbraw/zinc/15/59/99/299155999.db2.gz BEZRLGZWLHSQBQ-OAHLLOKOSA-N 2 0 314.433 2.605 20 0 DFADRP C[C@@H]1CCC[C@@H]([NH+]2CCC([NH2+]CCc3cn(C)cn3)CC2)C1 ZINC000459662794 299158484 /nfs/dbraw/zinc/15/84/84/299158484.db2.gz ODIWQGSVASGSSN-CRAIPNDOSA-N 2 0 304.482 2.595 20 0 DFADRP CCOC(=O)[C@@H]1CC[C@H]([NH2+]Cc2ccc(C[NH3+])cc2F)C[C@H]1C ZINC000593317166 398596850 /nfs/dbraw/zinc/59/68/50/398596850.db2.gz RFJOWMGDRJTCDM-UHOFOFEASA-N 2 0 322.424 2.742 20 0 DFADRP CCOC(=O)[C@@H]1CC[C@H]([NH2+]Cc2ccccc2C[NH2+]C)C[C@H]1C ZINC000593318403 398597540 /nfs/dbraw/zinc/59/75/40/398597540.db2.gz OVBZICYZVGWVCD-FHLIZLRMSA-N 2 0 318.461 2.864 20 0 DFADRP COC(=O)c1cc(C[NH2+]CC2CC[NH+](CC3CC3)CC2)oc1C ZINC000597247877 398606752 /nfs/dbraw/zinc/60/67/52/398606752.db2.gz HJKJMAMTFLVZRG-UHFFFAOYSA-N 2 0 320.433 2.586 20 0 DFADRP c1cn(-c2ccc(C[N@H+]3CC[C@@H](C[NH+]4CCCC4)C3)cc2)cn1 ZINC000150805671 186067412 /nfs/dbraw/zinc/06/74/12/186067412.db2.gz LYHKIVRPOPBVFI-SFHVURJKSA-N 2 0 310.445 2.790 20 0 DFADRP C[NH+](C)C[C@H](N[C@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccc(F)cc1 ZINC000287149275 219343998 /nfs/dbraw/zinc/34/39/98/219343998.db2.gz SRHRVTAQEBAUFN-BZSNNMDCSA-N 2 0 305.441 2.645 20 0 DFADRP C[C@H]([NH2+]CC(C)(C)N(C)C)c1cccc(OCC[NH+](C)C)c1 ZINC000152603438 186088741 /nfs/dbraw/zinc/08/87/41/186088741.db2.gz UAJOQWNCZVIPEF-HNNXBMFYSA-N 2 0 307.482 2.618 20 0 DFADRP C[N@H+](CCCO)C1CC[NH+](C[C@H]2C[C@@H]2c2ccccc2)CC1 ZINC000093394992 398635312 /nfs/dbraw/zinc/63/53/12/398635312.db2.gz RYFGDTUHFMUVNI-IEBWSBKVSA-N 2 0 302.462 2.569 20 0 DFADRP C[C@@H]1C[NH+](Cc2ccc(C[NH2+]Cc3cc[nH]c3)cc2)C[C@@H](C)O1 ZINC000175696082 186189683 /nfs/dbraw/zinc/18/96/83/186189683.db2.gz HXCHGUPZABSXBM-HZPDHXFCSA-N 2 0 313.445 2.914 20 0 DFADRP Cc1cc(C[N@H+]2CC[C@@H](N3CC[NH+](C(C)C)CC3)C2)cs1 ZINC000590640472 398643791 /nfs/dbraw/zinc/64/37/91/398643791.db2.gz BKPAMASYNNUIJW-QGZVFWFLSA-N 2 0 307.507 2.657 20 0 DFADRP C[C@@H](C[NH2+]C1CCN(C2CC[NH+](C)CC2)CC1)c1ccccc1 ZINC000194303677 186279079 /nfs/dbraw/zinc/27/90/79/186279079.db2.gz SDIHAYQKBQPZOB-KRWDZBQOSA-N 2 0 315.505 2.938 20 0 DFADRP C[C@@H]1CCC[N@H+](Cc2ccc(NC(=O)C3CC[NH2+]CC3)cc2)C1 ZINC000237478293 186295735 /nfs/dbraw/zinc/29/57/35/186295735.db2.gz MTHSSCABMAAMOT-OAHLLOKOSA-N 2 0 315.461 2.857 20 0 DFADRP COc1ccc(C[C@H](C)[NH2+][C@@H]2CC[N@@H+]3CCCC[C@H]23)cc1OC ZINC000268746686 186376363 /nfs/dbraw/zinc/37/63/63/186376363.db2.gz AUDLZCQITNIKSV-USXIJHARSA-N 2 0 318.461 2.851 20 0 DFADRP COc1ccc(C[C@H](C)[NH2+][C@H]2CC[N@@H+]3CCCC[C@@H]23)cc1OC ZINC000268746690 186376592 /nfs/dbraw/zinc/37/65/92/186376592.db2.gz AUDLZCQITNIKSV-XIRDDKMYSA-N 2 0 318.461 2.851 20 0 DFADRP CC(C)[N@H+](C)Cc1cccc(C[NH2+]Cc2cnc3cnccn23)c1 ZINC000269577799 186389915 /nfs/dbraw/zinc/38/99/15/186389915.db2.gz ONZBYUXLWLXYEY-UHFFFAOYSA-N 2 0 323.444 2.859 20 0 DFADRP [NH3+]CCCN1CC[NH+](CCC23CC4CC(CC(C4)C2)C3)CC1 ZINC000414746168 295819127 /nfs/dbraw/zinc/81/91/27/295819127.db2.gz RQCQJCPEQIVDGD-UHFFFAOYSA-N 2 0 305.510 2.559 20 0 DFADRP Cc1ccc(Cl)cc1NC(=O)C[C@@H](C)[NH2+]CC[C@H]1CC[NH2+]C1 ZINC000414828049 295822851 /nfs/dbraw/zinc/82/28/51/295822851.db2.gz IGWRPQJESIUMJM-ZIAGYGMSSA-N 2 0 323.868 2.955 20 0 DFADRP Clc1cccc(-c2n[nH]cc2C[NH2+]C[C@H]2CCC[NH2+]C2)c1 ZINC000414835391 295823855 /nfs/dbraw/zinc/82/38/55/295823855.db2.gz TXEZTOAYCNWPDU-LBPRGKRZSA-N 2 0 304.825 2.819 20 0 DFADRP CC[C@H](Cc1ccc(OC)c(OC)c1)[NH2+]C[C@H]1CCC[NH2+]C1 ZINC000414837033 295824152 /nfs/dbraw/zinc/82/41/52/295824152.db2.gz VJFQMBFDMAVLAU-JKSUJKDBSA-N 2 0 306.450 2.614 20 0 DFADRP Fc1cccc(N2CCCC2)c1C[NH2+]CC[C@@H]1CCC[NH2+]C1 ZINC000414843775 295825106 /nfs/dbraw/zinc/82/51/06/295825106.db2.gz CUKYCDPAFOJDKY-HNNXBMFYSA-N 2 0 305.441 2.905 20 0 DFADRP c1sc(COc2ccccc2)nc1C[NH2+]CC[C@H]1CC[NH2+]C1 ZINC000414840599 295825001 /nfs/dbraw/zinc/82/50/01/295825001.db2.gz XHWNLWHBHJMWDI-CQSZACIVSA-N 2 0 317.458 2.811 20 0 DFADRP COc1cc(C[NH2+][C@H](C)[C@H]2CCC[NH2+]C2)ccc1OC(F)F ZINC000414846238 295825602 /nfs/dbraw/zinc/82/56/02/295825602.db2.gz DVDIESSDBMYAQA-YPMHNXCESA-N 2 0 314.376 2.774 20 0 DFADRP COCC[NH+]1CCC(NC[C@H]([NH3+])c2ccc(C(C)C)cc2)CC1 ZINC000414849161 295825743 /nfs/dbraw/zinc/82/57/43/295825743.db2.gz QVYNFVUHMAYCHP-IBGZPJMESA-N 2 0 319.493 2.510 20 0 DFADRP C[C@H]([NH2+]Cc1ccc(OC[C@H]2CCCO2)cc1)[C@H]1CCC[NH2+]C1 ZINC000414850923 295826211 /nfs/dbraw/zinc/82/62/11/295826211.db2.gz ITUHXLAFDJLIRR-VDZJLULYSA-N 2 0 318.461 2.722 20 0 DFADRP COCCOc1ccccc1C[NH2+]CC[C@@H]1CCC[N@H+](C)C1 ZINC000459740530 299179112 /nfs/dbraw/zinc/17/91/12/299179112.db2.gz UONQOMGWXXBPQA-INIZCTEOSA-N 2 0 306.450 2.533 20 0 DFADRP CSc1cc2c(cc1C[NH2+][C@@H](C)[C@H]1CCC[NH2+]C1)OCCO2 ZINC000414854957 295826510 /nfs/dbraw/zinc/82/65/10/295826510.db2.gz MJJGEJMCRVGNRT-STQMWFEESA-N 2 0 322.474 2.657 20 0 DFADRP Cc1cccc(NC(=O)C[C@H](C)[NH2+][C@H](C)[C@@H]2CCC[NH2+]C2)c1C ZINC000414860081 295827386 /nfs/dbraw/zinc/82/73/86/295827386.db2.gz VEVWXGSTLLSXJR-USXIJHARSA-N 2 0 317.477 2.998 20 0 DFADRP Fc1ccc(-c2ccc(C[NH2+]CCN3CC[NH2+]CC3)s2)cc1 ZINC000414874130 295828821 /nfs/dbraw/zinc/82/88/21/295828821.db2.gz YNJCHWLKKKRBAM-UHFFFAOYSA-N 2 0 319.449 2.549 20 0 DFADRP COC[C@@H](CC(C)(C)C)[NH2+]CC1(SC)CC[NH+](C)CC1 ZINC000593629651 398663993 /nfs/dbraw/zinc/66/39/93/398663993.db2.gz HDJRGHACAPRMOV-CQSZACIVSA-N 2 0 302.528 2.855 20 0 DFADRP Cc1ccc(NC(=O)C[C@@H](C)[NH2+]CC2(C)CC[NH2+]CC2)c(C)c1 ZINC000414896026 295831683 /nfs/dbraw/zinc/83/16/83/295831683.db2.gz ARBGGMGEVRGOHP-MRXNPFEDSA-N 2 0 317.477 3.000 20 0 DFADRP COc1ccc(Br)cc1C[NH2+][C@@H]1CCC[C@@H]([NH3+])C1 ZINC000414929529 295836532 /nfs/dbraw/zinc/83/65/32/295836532.db2.gz RQCQXFHXJRDTPT-CHWSQXEVSA-N 2 0 313.239 2.817 20 0 DFADRP CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)C1CC[NH+](C(C)C)CC1 ZINC000073225084 398668992 /nfs/dbraw/zinc/66/89/92/398668992.db2.gz LZBHZZNBVRHJAY-GOSISDBHSA-N 2 0 323.525 2.878 20 0 DFADRP CC(C)(C)[NH+]1CCC(NC[C@@H]2[NH2+]CCc3ccccc32)CC1 ZINC000414959508 295841083 /nfs/dbraw/zinc/84/10/83/295841083.db2.gz SGUYHSKKNUPBHD-SFHVURJKSA-N 2 0 301.478 2.726 20 0 DFADRP C[C@H](CC(=O)Nc1cccc(F)c1)[NH2+]CCC[C@@H]1CCC[NH2+]1 ZINC000414962298 295841515 /nfs/dbraw/zinc/84/15/15/295841515.db2.gz CERFRDUOQVLCMN-UKRRQHHQSA-N 2 0 307.413 2.665 20 0 DFADRP CCCOc1ccc(C[NH2+][C@@H]2CC[NH2+]CC2(C)C)cc1OC ZINC000414980383 295843760 /nfs/dbraw/zinc/84/37/60/295843760.db2.gz WMXUMQFLSUCWMK-QGZVFWFLSA-N 2 0 306.450 2.962 20 0 DFADRP COCC1(C[NH2+]Cc2ccc(SC)c(OC)c2)CC[NH2+]CC1 ZINC000414982554 295843905 /nfs/dbraw/zinc/84/39/05/295843905.db2.gz YJDNNCJCRJQRAD-UHFFFAOYSA-N 2 0 324.490 2.523 20 0 DFADRP Clc1cc(C[NH2+]CCC[C@@H]2CCC[NH2+]2)cc2c1OCCO2 ZINC000414980402 295843591 /nfs/dbraw/zinc/84/35/91/295843591.db2.gz WOQWDAJMRMBUJZ-CYBMUJFWSA-N 2 0 310.825 2.733 20 0 DFADRP Cc1nn(-c2cccc(F)c2)cc1C[NH2+]C[C@H]1CCC[C@H]([NH3+])C1 ZINC000414991146 295844762 /nfs/dbraw/zinc/84/47/62/295844762.db2.gz AMYDCBZXBXOGGJ-YOEHRIQHSA-N 2 0 316.424 2.927 20 0 DFADRP C[C@H](CCc1ccc2c(c1)OCO2)[NH2+]C[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000414996542 295845285 /nfs/dbraw/zinc/84/52/85/295845285.db2.gz GMASENZCWUQOQB-FVQBIDKESA-N 2 0 304.434 2.844 20 0 DFADRP COc1ccc2nc(C[NH2+]C[C@H]3CCC[C@@H]([NH3+])C3)sc2c1 ZINC000414996803 295845325 /nfs/dbraw/zinc/84/53/25/295845325.db2.gz GRNINDFXAHATAW-NWDGAFQWSA-N 2 0 305.447 2.912 20 0 DFADRP [NH3+][C@H]1CCC[C@H](C[NH2+]Cc2c[nH]nc2-c2c(F)cccc2F)C1 ZINC000414994195 295844996 /nfs/dbraw/zinc/84/49/96/295844996.db2.gz LVYNWIMZYAPSIX-AAEUAGOBSA-N 2 0 320.387 2.962 20 0 DFADRP COc1ccc(C[NH2+]C[C@H]2CCC[C@H]([NH3+])C2)c(OC(F)F)c1 ZINC000414995683 295845178 /nfs/dbraw/zinc/84/51/78/295845178.db2.gz NTZRNJCYQKWFPY-AAEUAGOBSA-N 2 0 314.376 2.904 20 0 DFADRP COc1ccc(C[C@H](C)[NH2+]C[C@H]2CCC[C@@H]([NH3+])C2)cc1OC ZINC000415003617 295846078 /nfs/dbraw/zinc/84/60/78/295846078.db2.gz NJDQPUZVBHUFKH-CWRNSKLLSA-N 2 0 306.450 2.742 20 0 DFADRP Cn1cc(C[NH2+][C@@H]2C[C@H]2C2CC[NH2+]CC2)c(-c2cccs2)n1 ZINC000415003616 295846143 /nfs/dbraw/zinc/84/61/43/295846143.db2.gz GHPCDHZDYFBDJW-LSDHHAIUSA-N 2 0 316.474 2.626 20 0 DFADRP [NH3+][C@@H]1CCC[C@H](C[NH2+]Cc2c[nH]nc2-c2ccccc2F)C1 ZINC000415004527 295846483 /nfs/dbraw/zinc/84/64/83/295846483.db2.gz YEJQGVWBMDUWLV-GXTWGEPZSA-N 2 0 302.397 2.823 20 0 DFADRP CC(C)[N@H+](C)CC1CC[NH+](C[C@@H]2COc3ccccc3O2)CC1 ZINC000590818853 398681001 /nfs/dbraw/zinc/68/10/01/398681001.db2.gz AHUCECXUTBVLCO-QGZVFWFLSA-N 2 0 318.461 2.879 20 0 DFADRP COc1ccc(CC[C@H](C)[NH2+]C[C@H]2CCC[C@H]([NH3+])C2)cc1O ZINC000415013627 295847407 /nfs/dbraw/zinc/84/74/07/295847407.db2.gz YPVDYESLDBMRMG-BPUTZDHNSA-N 2 0 306.450 2.829 20 0 DFADRP C[C@@H]1CCCC[C@H]1NC(=O)C[NH+]1CCC(CCC[NH+](C)C)CC1 ZINC000123107208 282841779 /nfs/dbraw/zinc/84/17/79/282841779.db2.gz NXWIGUYOYLWCLL-SJLPKXTDSA-N 2 0 323.525 2.735 20 0 DFADRP CC(C)n1ncc2cc(C[NH2+]C[C@H]3CC[C@H](C[NH3+])CC3)cnc21 ZINC000415028468 295848601 /nfs/dbraw/zinc/84/86/01/295848601.db2.gz YSPBEJFSRZFZIV-SHTZXODSSA-N 2 0 315.465 2.867 20 0 DFADRP C[C@H](CC(=O)Nc1cccc(Cl)c1)[NH2+][C@H]1CC[C@@H](C[NH3+])C1 ZINC000415027864 295848664 /nfs/dbraw/zinc/84/86/64/295848664.db2.gz BUMFWNVIJKKCSO-JMSVASOKSA-N 2 0 309.841 2.774 20 0 DFADRP [NH3+]C[C@H]1CC[C@H]([NH2+]Cc2csc(COc3ccccc3)n2)C1 ZINC000415036852 295849687 /nfs/dbraw/zinc/84/96/87/295849687.db2.gz LSUZDARCAHROLE-KBPBESRZSA-N 2 0 317.458 2.939 20 0 DFADRP CCOc1cccc(C[NH2+][C@@H]2CC[C@@H](C[NH3+])C2)c1OC(F)F ZINC000415040727 295850389 /nfs/dbraw/zinc/85/03/89/295850389.db2.gz PFLQZVCLXLCTBF-DGCLKSJQSA-N 2 0 314.376 2.904 20 0 DFADRP CCc1ccccc1NC(=O)C[C@H](C)[NH2+][C@H]1CC[C@@H](C[NH3+])C1 ZINC000415046389 295850869 /nfs/dbraw/zinc/85/08/69/295850869.db2.gz VENQMKQOSXBTLS-LZWOXQAQSA-N 2 0 303.450 2.683 20 0 DFADRP COc1ccc2c(c1)C[C@@H]([NH2+]CC[C@@H]1CCC[N@H+](C)C1)CC2 ZINC000459791027 299194144 /nfs/dbraw/zinc/19/41/44/299194144.db2.gz ROWJZDNXQVWOAT-YJBOKZPZSA-N 2 0 302.462 2.874 20 0 DFADRP Cc1cccc(NC(=O)C[C@H](C)[NH2+][C@@H]2CC[C@@H](C[NH3+])C2)c1C ZINC000415050806 295851667 /nfs/dbraw/zinc/85/16/67/295851667.db2.gz YUWIVFVCUTTYKI-NUEKZKHPSA-N 2 0 303.450 2.738 20 0 DFADRP COc1ccc(C(C)(C)C[NH2+][C@H](C)[C@H]2CC[NH2+]C2)cc1OC ZINC000415074675 295854750 /nfs/dbraw/zinc/85/47/50/295854750.db2.gz DCNIJZWVPGFVIY-KGLIPLIRSA-N 2 0 306.450 2.569 20 0 DFADRP C[C@@]1(C[NH2+][C@H]2CCCN(c3ccccc3Cl)C2)CC[NH2+]C1 ZINC000415083519 295855827 /nfs/dbraw/zinc/85/58/27/295855827.db2.gz NMKLTRHIPUYWEB-WMLDXEAASA-N 2 0 307.869 2.898 20 0 DFADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+][C@H]1CCN(c2ccccn2)C1 ZINC000415079981 295855530 /nfs/dbraw/zinc/85/55/30/295855530.db2.gz IOOIEAJJNYNAKZ-IKGGRYGDSA-N 2 0 302.466 2.561 20 0 DFADRP C[C@@H]([NH2+][C@@H](C)c1cccc(N2CCCC2=O)c1)[C@H]1CCC[NH2+]C1 ZINC000415079871 295855644 /nfs/dbraw/zinc/85/56/44/295855644.db2.gz IQVGTCNEQSWWMN-UXLLHSPISA-N 2 0 315.461 2.852 20 0 DFADRP O[C@@H](CN1CC[C@H](C[NH+]2CCCCC2)C1)c1ccc(F)cc1 ZINC000173868544 198262037 /nfs/dbraw/zinc/26/20/37/198262037.db2.gz MTMWAISLOIKULS-QAPCUYQASA-N 2 0 306.425 2.667 20 0 DFADRP Fc1ccccc1C[NH+]1CCC(OCC[NH+]2CCCC2)CC1 ZINC000173952299 198271626 /nfs/dbraw/zinc/27/16/26/198271626.db2.gz MUGHTNOVMYXICM-UHFFFAOYSA-N 2 0 306.425 2.903 20 0 DFADRP C[N@@H+]1CCCN(CCC[NH2+]Cc2ccc3ccccc3c2)CC1 ZINC000105477099 398693512 /nfs/dbraw/zinc/69/35/12/398693512.db2.gz LUQCCJQEEHNYAU-UHFFFAOYSA-N 2 0 311.473 2.957 20 0 DFADRP C[C@H]1C[C@@H](C[NH2+]Cc2cc(Cl)c3c(c2)OCCO3)CC[NH2+]1 ZINC000415089888 295856887 /nfs/dbraw/zinc/85/68/87/295856887.db2.gz YLETYNCCYBZUCJ-RYUDHWBXSA-N 2 0 310.825 2.589 20 0 DFADRP CC[NH+]1CCN(Cc2ccc(C[NH2+]CC(C)(C)C)cc2)CC1 ZINC000107801620 398704440 /nfs/dbraw/zinc/70/44/40/398704440.db2.gz SVPYRAMXRRHFSN-UHFFFAOYSA-N 2 0 303.494 2.960 20 0 DFADRP C[C@@H](CC1CC1)[NH2+]CC1(N)CC[NH+](Cc2ccccc2)CC1 ZINC000415132321 295862815 /nfs/dbraw/zinc/86/28/15/295862815.db2.gz KWYDWYOQJFLABT-INIZCTEOSA-N 2 0 301.478 2.758 20 0 DFADRP Cc1nccc(N2CCN(Cc3cccc(Cl)c3)CC2)n1 ZINC000174672585 198368674 /nfs/dbraw/zinc/36/86/74/198368674.db2.gz PEYPKLMYHXQZTI-UHFFFAOYSA-N 2 0 302.809 2.761 20 0 DFADRP CCCC[NH+]1CCC(NC(=O)[C@H](C)[C@@H]([NH3+])c2ccccc2)CC1 ZINC000236758267 201996184 /nfs/dbraw/zinc/99/61/84/201996184.db2.gz OCGWGRDSGLABOX-CRAIPNDOSA-N 2 0 317.477 2.703 20 0 DFADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1[NH2+]CCc1ccc(-n2cccn2)cc1 ZINC000129575171 283021457 /nfs/dbraw/zinc/02/14/57/283021457.db2.gz GTZPDPCQCPNSEY-GJYPPUQNSA-N 2 0 312.461 2.733 20 0 DFADRP C[C@H](C[NH2+][C@@H]1CCC[C@H](C(F)(F)F)C1)CN1CC[NH+](C)CC1 ZINC000129713246 283025995 /nfs/dbraw/zinc/02/59/95/283025995.db2.gz WPHVRJXZBSCXKE-QLFBSQMISA-N 2 0 321.431 2.581 20 0 DFADRP COCC[N@H+](C)CCC[NH2+]Cc1ccc(OCC2CC2)cc1 ZINC000276981756 213218504 /nfs/dbraw/zinc/21/85/04/213218504.db2.gz SPPFTUQJMCNQTP-UHFFFAOYSA-N 2 0 306.450 2.533 20 0 DFADRP CC[NH+](CC)[C@@H](CNC(=O)C1(C[NH3+])CCCC1)c1ccccc1 ZINC000236818351 202025406 /nfs/dbraw/zinc/02/54/06/202025406.db2.gz XJOOWXUNQXVZSH-KRWDZBQOSA-N 2 0 317.477 2.705 20 0 DFADRP CCCN(CC[NH+](CC)CC)C(=O)Nc1cccc(C[NH2+]C)c1 ZINC000415930275 295903469 /nfs/dbraw/zinc/90/34/69/295903469.db2.gz JZHBNBPKAXNZNO-UHFFFAOYSA-N 2 0 320.481 2.992 20 0 DFADRP CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@H]2CC[NH2+]C3(CCC3)C2)C[C@H]1C ZINC000591282624 398745643 /nfs/dbraw/zinc/74/56/43/398745643.db2.gz HUUABTLMQYOZSP-FXUDXRNXSA-N 2 0 308.466 2.619 20 0 DFADRP CC[NH2+]Cc1ccccc1NC(=O)N1CC[NH+](CC(C)C)CC1 ZINC000415948450 295905585 /nfs/dbraw/zinc/90/55/85/295905585.db2.gz YMUKVIVSIUQOIF-UHFFFAOYSA-N 2 0 318.465 2.602 20 0 DFADRP C[NH+](C)Cc1cccc(CNC(=O)Nc2ccc(C[NH3+])cc2)c1 ZINC000415972703 295907553 /nfs/dbraw/zinc/90/75/53/295907553.db2.gz IPSYDHQETSVRBA-UHFFFAOYSA-N 2 0 312.417 2.529 20 0 DFADRP C[C@@H]([NH2+]Cc1ccc(N2CC[NH+](C)CC2)nc1)C1CCCCC1 ZINC000177204715 198686579 /nfs/dbraw/zinc/68/65/79/198686579.db2.gz RWPIXQBDNIPHBB-MRXNPFEDSA-N 2 0 316.493 2.892 20 0 DFADRP C[C@@H](CCN1CC[NH+](C)CC1)[NH2+]Cc1ccccc1C1CC1 ZINC000681136147 545601883 /nfs/dbraw/zinc/60/18/83/545601883.db2.gz OQYDDRZOFZDQQP-INIZCTEOSA-N 2 0 301.478 2.680 20 0 DFADRP C[N@@H+]1CC[C@H]([NH2+]CCN2CCc3ccccc3C2)[C@H]2CCC[C@@H]21 ZINC000367616177 283136002 /nfs/dbraw/zinc/13/60/02/283136002.db2.gz LKJJSPCPCXGCAU-AABGKKOBSA-N 2 0 313.489 2.507 20 0 DFADRP CC[NH+](CC)CC1CC[NH+](Cc2cc(C)c(C(=O)OC)o2)CC1 ZINC000047978313 398767357 /nfs/dbraw/zinc/76/73/57/398767357.db2.gz YLTPGYMXOXOHJB-UHFFFAOYSA-N 2 0 322.449 2.928 20 0 DFADRP CC[NH+](CC)[C@@H](CNC(=O)[C@H]([NH3+])c1ccccc1)CC(C)C ZINC000236833690 202031194 /nfs/dbraw/zinc/03/11/94/202031194.db2.gz OJPOSIKVDHQHHH-IAGOWNOFSA-N 2 0 305.466 2.559 20 0 DFADRP CCC[C@H]([NH3+])C(=O)NCc1ccccc1C[N@@H+]1CCC[C@@H](C)C1 ZINC000236883209 202050952 /nfs/dbraw/zinc/05/09/52/202050952.db2.gz DPTPVSLBNXKFBB-QAPCUYQASA-N 2 0 317.477 2.662 20 0 DFADRP CC(C)C[N@H+](CC(=O)NC1CC[NH+](C2CC2)CC1)CC(C)(C)C ZINC000134449434 283187346 /nfs/dbraw/zinc/18/73/46/283187346.db2.gz LELXZQKATIHGKY-UHFFFAOYSA-N 2 0 323.525 2.734 20 0 DFADRP CC[NH+](CC)Cc1ccc(CNC(=O)[C@H]2CCC[C@H]([NH3+])C2)cc1 ZINC000236918740 202070435 /nfs/dbraw/zinc/07/04/35/202070435.db2.gz ZWFQTGHFFAZJOY-ROUUACIJSA-N 2 0 317.477 2.662 20 0 DFADRP C[NH+](C)CC[C@H](NC(=O)C[C@H]([NH3+])c1ccccc1)C(C)(C)C ZINC000236986430 202109233 /nfs/dbraw/zinc/10/92/33/202109233.db2.gz JHJBNPPVROCHHF-HOTGVXAUSA-N 2 0 305.466 2.559 20 0 DFADRP CC[N@H+](Cc1ccc(C(=O)NC2CCC([NH3+])CC2)cc1)C(C)C ZINC000236994345 202112212 /nfs/dbraw/zinc/11/22/12/202112212.db2.gz FMJHFJMNSLVOHK-UHFFFAOYSA-N 2 0 317.477 2.917 20 0 DFADRP CC[N@H+](Cc1ccc(C(=O)N[C@@](C)(C[NH3+])C2CC2)cc1)C(C)C ZINC000236995474 202113898 /nfs/dbraw/zinc/11/38/98/202113898.db2.gz HFLYVUTXJRGEJN-IBGZPJMESA-N 2 0 317.477 2.774 20 0 DFADRP CC[NH+](CC)[C@@H](C(=O)N1CCC(C[NH2+]C)CC1)c1ccccc1 ZINC000237039635 202132116 /nfs/dbraw/zinc/13/21/16/202132116.db2.gz VDHTWOKBQUMCCD-GOSISDBHSA-N 2 0 317.477 2.528 20 0 DFADRP Cc1ccc(C[NH+](C)C)cc1NC(=O)[C@H](C[NH3+])c1ccccc1 ZINC000237051301 202136144 /nfs/dbraw/zinc/13/61/44/202136144.db2.gz YMKXFWCZIBWQFV-QGZVFWFLSA-N 2 0 311.429 2.738 20 0 DFADRP CCC[NH+](CCC)CCCC(=O)N1CC[C@H]([NH+]2CCCC2)[C@H]1C ZINC000376419695 283209638 /nfs/dbraw/zinc/20/96/38/283209638.db2.gz GKMHUDLCIIRANN-MSOLQXFVSA-N 2 0 323.525 2.974 20 0 DFADRP C/C(=C\c1ccccc1)C[NH2+]CC1CC[NH+](CCN(C)C)CC1 ZINC000237157417 202170981 /nfs/dbraw/zinc/17/09/81/202170981.db2.gz YHRQQYGLNNUJPS-OBGWFSINSA-N 2 0 315.505 2.953 20 0 DFADRP C[N@H+](CC1CC[NH2+]CC1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000237188063 202182581 /nfs/dbraw/zinc/18/25/81/202182581.db2.gz KLLQZACAYTURHT-IBGZPJMESA-N 2 0 301.478 2.582 20 0 DFADRP CC[NH+]1CCN([C@H](C)C[NH2+]CCc2ccc(C(C)C)cc2)CC1 ZINC000138082182 283255592 /nfs/dbraw/zinc/25/55/92/283255592.db2.gz FWWWYRHLHVEYKC-GOSISDBHSA-N 2 0 317.521 2.968 20 0 DFADRP C[C@H]([NH2+]Cc1ccc(C[NH+]2CCC(O)CC2)cc1)C1CCC1 ZINC000178793997 198931960 /nfs/dbraw/zinc/93/19/60/198931960.db2.gz RQNHIAFSCNRJSN-HNNXBMFYSA-N 2 0 302.462 2.922 20 0 DFADRP CCC[N@H+](C[C@@H]1CCC[NH2+]C1)C[C@@H]1COc2ccccc2O1 ZINC000262552896 283280298 /nfs/dbraw/zinc/28/02/98/283280298.db2.gz STHJBPVBWXNLGZ-HZPDHXFCSA-N 2 0 304.434 2.538 20 0 DFADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1[NH2+]Cc1cccc(Cn2ccnc2)c1 ZINC000151330183 283281281 /nfs/dbraw/zinc/28/12/81/283281281.db2.gz WFKFVUFHWANSGD-JTDSTZFVSA-N 2 0 312.461 2.750 20 0 DFADRP COC[C@H](Cc1ccccc1)[NH2+]C[C@H](C)C[NH+]1CCCCC1 ZINC000125608978 398807923 /nfs/dbraw/zinc/80/79/23/398807923.db2.gz HZSUHYLYVNGATJ-HKUYNNGSSA-N 2 0 304.478 2.956 20 0 DFADRP CC[N@@H+]1CC[C@@H](C[NH2+][C@@H]2CCCc3ccc(C(=O)OC)cc32)C1 ZINC000594493387 398809021 /nfs/dbraw/zinc/80/90/21/398809021.db2.gz HLUNJUORJDLXLX-KBXCAEBGSA-N 2 0 316.445 2.782 20 0 DFADRP CC[C@@H]([NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1)c1ccc(C(=O)OC)cc1 ZINC000594508138 398812841 /nfs/dbraw/zinc/81/28/41/398812841.db2.gz BCQWUEZTGVFVRH-XOKHGSTOSA-N 2 0 304.434 2.854 20 0 DFADRP CC(C)[C@H](C[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1)C(=O)OC(C)(C)C ZINC000594510515 398812989 /nfs/dbraw/zinc/81/29/89/398812989.db2.gz AFNFLQNAHQSKRZ-JYJNAYRXSA-N 2 0 310.482 2.817 20 0 DFADRP CCn1cc([C@H](C)[NH2+]CC2CCN(c3cc[nH+]cc3)CC2)cn1 ZINC000179469034 199041538 /nfs/dbraw/zinc/04/15/38/199041538.db2.gz QVDZSVWWFGLGNS-HNNXBMFYSA-N 2 0 313.449 2.865 20 0 DFADRP Cc1nn(-c2ccccc2)c(C)c1CN1CC[C@H](C[NH+](C)C)C1 ZINC000179632970 199067233 /nfs/dbraw/zinc/06/72/33/199067233.db2.gz GCSFUUKQEDGKLR-QGZVFWFLSA-N 2 0 312.461 2.873 20 0 DFADRP COc1ccc(C)cc1C[NH+]1CCC(C[NH+]2CCOCC2)CC1 ZINC000051958744 398828111 /nfs/dbraw/zinc/82/81/11/398828111.db2.gz KHOMIVCCFLCTMY-UHFFFAOYSA-N 2 0 318.461 2.548 20 0 DFADRP CC[C@@H](O)CC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000180162974 199124793 /nfs/dbraw/zinc/12/47/93/199124793.db2.gz GEZZYKZWBUGRKO-XVLXNVKGSA-N 2 0 302.462 2.933 20 0 DFADRP C[C@@H](CCCO)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000180163431 199125274 /nfs/dbraw/zinc/12/52/74/199125274.db2.gz SLVJVFQQFYZMGG-UXDRXVOSSA-N 2 0 302.462 2.933 20 0 DFADRP CC[C@@H]([NH3+])C(=O)NC[C@H](c1ccccc1Cl)[NH+](CC)CC ZINC000130261852 398843902 /nfs/dbraw/zinc/84/39/02/398843902.db2.gz OLHQXVKQASBJHK-HUUCEWRRSA-N 2 0 311.857 2.576 20 0 DFADRP CSCC[C@H]([NH3+])C(=O)Nc1cccc(C[NH+]2CCCCC2)c1 ZINC000237334089 202235027 /nfs/dbraw/zinc/23/50/27/202235027.db2.gz MCRSCOKHWNAMID-INIZCTEOSA-N 2 0 321.490 2.691 20 0 DFADRP CC[NH+](CC)Cc1ccc(C[NH2+][C@H](C)[C@@H]2C[C@@H]2C(=O)OC)cc1 ZINC000594921837 398871860 /nfs/dbraw/zinc/87/18/60/398871860.db2.gz UPLPRVGJMBBYPO-JLSDUUJJSA-N 2 0 318.461 2.816 20 0 DFADRP COC(=O)[C@@H]1C[C@@H]1[C@@H](C)[NH2+]CC[C@H](C)[N@H+](C)Cc1ccccc1 ZINC000594941766 398877623 /nfs/dbraw/zinc/87/76/23/398877623.db2.gz UQRIEILHUQOBDJ-BURFUSLBSA-N 2 0 318.461 2.684 20 0 DFADRP CC[NH+](CC)Cc1ccc(C(=O)NC[C@@H](C2CC2)[NH+](C)C)cc1 ZINC000076925651 398875770 /nfs/dbraw/zinc/87/57/70/398875770.db2.gz MBACKBXWABSMIW-SFHVURJKSA-N 2 0 317.477 2.598 20 0 DFADRP Cc1cc(N2CC[NH+](C)CC2)c2cc(OC(F)F)ccc2[nH+]1 ZINC000077164985 398884101 /nfs/dbraw/zinc/88/41/01/398884101.db2.gz QPZUUVCXZVJYLU-UHFFFAOYSA-N 2 0 307.344 2.896 20 0 DFADRP COCCC[NH+]1CCC(N[C@H](C)c2ccc(F)c(OC)c2)CC1 ZINC000153514109 283371837 /nfs/dbraw/zinc/37/18/37/283371837.db2.gz SNUIBLVQZXPTKM-CQSZACIVSA-N 2 0 324.440 2.986 20 0 DFADRP C[NH+]1CCC(O)(C[NH2+][C@@H]2CCC[C@@H]2CCc2ccccc2)CC1 ZINC000468551771 299280318 /nfs/dbraw/zinc/28/03/18/299280318.db2.gz FBLRNHOXRLGQKV-RTBURBONSA-N 2 0 316.489 2.834 20 0 DFADRP Cc1ccc(CNCc2ccccc2C[N@@H+]2CCC[C@H]2CO)o1 ZINC000180986381 199237163 /nfs/dbraw/zinc/23/71/63/199237163.db2.gz GQZNKBYAHDUEQM-SFHVURJKSA-N 2 0 314.429 2.835 20 0 DFADRP COC(=O)CC(C)(C)C[C@@H](C)[NH2+]CC1CC[NH+](C2CC2)CC1 ZINC000595052443 398898096 /nfs/dbraw/zinc/89/80/96/398898096.db2.gz WXXBHZMBOVORLA-CQSZACIVSA-N 2 0 310.482 2.818 20 0 DFADRP CN1c2ccc(C[NH2+][C@@H]3CCC[C@@H]([NH+](C)C)C3)cc2CCC1=O ZINC000187281889 200088409 /nfs/dbraw/zinc/08/84/09/200088409.db2.gz JETVFMNUHRJOKG-IAGOWNOFSA-N 2 0 315.461 2.558 20 0 DFADRP CCC[C@H](C)[NH+]1CCN(CC[N@H+](C)Cc2ccccc2)CC1 ZINC000187677619 200143628 /nfs/dbraw/zinc/14/36/28/200143628.db2.gz LXWWBERJGBJDNY-SFHVURJKSA-N 2 0 303.494 2.925 20 0 DFADRP C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2CNC(=O)CCC[NH3+])C1 ZINC000237522697 202269907 /nfs/dbraw/zinc/26/99/07/202269907.db2.gz YKGQOJBCABHOCS-IYBDPMFKSA-N 2 0 317.477 2.520 20 0 DFADRP C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccc(CNC(=O)CCC[NH3+])cc2)C1 ZINC000237522318 202270394 /nfs/dbraw/zinc/27/03/94/202270394.db2.gz MJPIVCKXRAXHGH-IYBDPMFKSA-N 2 0 317.477 2.520 20 0 DFADRP FC(F)COCC[NH2+][C@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000188760459 200300701 /nfs/dbraw/zinc/30/07/01/200300701.db2.gz LTLXIWDBRLAGHY-ZACQAIPSSA-N 2 0 324.415 2.768 20 0 DFADRP CC(C)[NH+]1CCC([NH2+]CC[C@H]2COc3ccccc3O2)CC1 ZINC000417337185 296011484 /nfs/dbraw/zinc/01/14/84/296011484.db2.gz KYEPNMZIATWDKL-INIZCTEOSA-N 2 0 304.434 2.679 20 0 DFADRP C[C@H](NCC1([NH+](C)C)CC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000417356342 296013442 /nfs/dbraw/zinc/01/34/42/296013442.db2.gz PFVPUVGQLAZYEE-FUHWJXTLSA-N 2 0 301.478 2.581 20 0 DFADRP Cn1cc(C[N@@H+]2CCCC[C@H]2[C@@H](C[NH3+])Cc2ccccc2)cn1 ZINC000471837062 299308962 /nfs/dbraw/zinc/30/89/62/299308962.db2.gz YTISLVYDBJCKFS-MOPGFXCFSA-N 2 0 312.461 2.592 20 0 DFADRP CCC[C@@H]([NH2+]C(C)C)C(=O)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000353937878 283549439 /nfs/dbraw/zinc/54/94/39/283549439.db2.gz FOZIYXKYWWQPED-DLBZAZTESA-N 2 0 309.498 2.630 20 0 DFADRP Cn1cncc1C[N@@H+]1CCCC[C@H]1[C@@H](C[NH3+])Cc1ccccc1 ZINC000471866457 299310942 /nfs/dbraw/zinc/31/09/42/299310942.db2.gz UIJUPZRUFXXBRT-MJGOQNOKSA-N 2 0 312.461 2.592 20 0 DFADRP CC[NH+](CC)[C@H](CNC(=O)[C@H]1CCCC[N@@H+]1C)c1ccccc1 ZINC000599291139 398948307 /nfs/dbraw/zinc/94/83/07/398948307.db2.gz GWLRUPNQOAWCEJ-QZTJIDSGSA-N 2 0 317.477 2.670 20 0 DFADRP COC(=O)CCCC[N@@H+]1CCC[C@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000599296329 398950123 /nfs/dbraw/zinc/95/01/23/398950123.db2.gz UYUYCRZKUMRSCP-SJORKVTESA-N 2 0 310.482 2.916 20 0 DFADRP COc1cccc(C[C@@H]([NH2+]CC2=CC[N@H+](C)CC2)C2CC2)c1 ZINC000271897517 209306991 /nfs/dbraw/zinc/30/69/91/209306991.db2.gz UQTPMRJMHYKEJX-LJQANCHMSA-N 2 0 300.446 2.868 20 0 DFADRP C[C@H]([NH2+]CC1=CC[N@H+](C)CC1)c1cccc(N2CCOC2=O)c1 ZINC000271898683 209306878 /nfs/dbraw/zinc/30/68/78/209306878.db2.gz VBGLIQBNQOSJSH-AWEZNQCLSA-N 2 0 315.417 2.556 20 0 DFADRP CC[NH+](CC)CCOc1ccccc1C[NH2+][C@@H]1CCOC[C@@H]1C ZINC000192479537 200885164 /nfs/dbraw/zinc/88/51/64/200885164.db2.gz TVFHCHWAPZPIOA-FUHWJXTLSA-N 2 0 320.477 2.922 20 0 DFADRP C[NH+]1CCC(CC[NH2+]CCCc2ccc3c(c2)CCO3)CC1 ZINC000193292327 201021597 /nfs/dbraw/zinc/02/15/97/201021597.db2.gz TUJCOCIOWAPECN-UHFFFAOYSA-N 2 0 302.462 2.876 20 0 DFADRP C[C@@H]([NH3+])CCC(=O)NCc1ccccc1C[N@@H+]1CCC[C@H](C)C1 ZINC000193295760 201023274 /nfs/dbraw/zinc/02/32/74/201023274.db2.gz ZCWGWPKGSAKKQO-JKSUJKDBSA-N 2 0 317.477 2.662 20 0 DFADRP Cc1cc(C[NH+]2CCSCC2)ccc1NC(=O)CC[C@H](C)[NH3+] ZINC000193307595 201025668 /nfs/dbraw/zinc/02/56/68/201025668.db2.gz BUXSXOLAJIDGCM-AWEZNQCLSA-N 2 0 321.490 2.610 20 0 DFADRP C[C@H]([NH3+])CCC(=O)NCc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000193306043 201025906 /nfs/dbraw/zinc/02/59/06/201025906.db2.gz YWXCDWBUHSEGSM-INIZCTEOSA-N 2 0 317.477 2.806 20 0 DFADRP COc1cc(C[NH+]2CCC(C[NH+]3CCOCC3)CC2)ccc1C ZINC000193694086 201104654 /nfs/dbraw/zinc/10/46/54/201104654.db2.gz GKBCXDQTLZMDEX-UHFFFAOYSA-N 2 0 318.461 2.548 20 0 DFADRP CCOC(=O)c1[nH]c(C)c(C[N@H+](C)[C@H]2CCN(C)C[C@@H]2C)c1C ZINC000600167110 398982834 /nfs/dbraw/zinc/98/28/34/398982834.db2.gz OOBXZZORVPTRRH-LRDDRELGSA-N 2 0 321.465 2.580 20 0 DFADRP CC1(C)C[NH+](C/C=C\C[N@@H+]2CCCOC(C)(C)C2)CCCO1 ZINC000604999015 398988859 /nfs/dbraw/zinc/98/88/59/398988859.db2.gz CFDHABDJBUSEFV-WAYWQWQTSA-N 2 0 310.482 2.544 20 0 DFADRP [NH3+][C@H](CCC(=O)N[C@@H]1CC[N@@H+](C2CCCC2)C1)c1ccccc1 ZINC000167717090 398995310 /nfs/dbraw/zinc/99/53/10/398995310.db2.gz YCLMDTLMUPNBRM-SJLPKXTDSA-N 2 0 315.461 2.600 20 0 DFADRP [NH3+]CCCCCCC(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000195139413 201346251 /nfs/dbraw/zinc/34/62/51/201346251.db2.gz WNPVKBPIDNPHON-UHFFFAOYSA-N 2 0 317.477 2.808 20 0 DFADRP C[NH+](C)Cc1cccc(NC(=O)C2CC[NH+](C3CC3)CC2)c1 ZINC000195348266 201383089 /nfs/dbraw/zinc/38/30/89/201383089.db2.gz GHUMGEZUMCBQPU-UHFFFAOYSA-N 2 0 301.434 2.561 20 0 DFADRP CC[NH+](CC)Cc1ccc(C[NH2+]Cc2cc(C)nn2C)cc1 ZINC000417839948 296056613 /nfs/dbraw/zinc/05/66/13/296056613.db2.gz LXUIEDQGSWPDCM-UHFFFAOYSA-N 2 0 300.450 2.860 20 0 DFADRP CC(C)[C@H](CNC(=O)CC[C@@H]1CCC[NH2+]C1)[NH+]1CCC(C)CC1 ZINC000621642771 399007271 /nfs/dbraw/zinc/00/72/71/399007271.db2.gz VSHPUEJTXPGEFD-ROUUACIJSA-N 2 0 323.525 2.639 20 0 DFADRP CCc1ccc(C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)cc1 ZINC000057157335 399020424 /nfs/dbraw/zinc/02/04/24/399020424.db2.gz HQCUQNYOCSFPJK-UHFFFAOYSA-N 2 0 319.493 2.595 20 0 DFADRP C[C@@H](Cc1ccc(Cl)cc1)[NH2+]CCCN1CCC[N@H+](C)CC1 ZINC000091333632 193041850 /nfs/dbraw/zinc/04/18/50/193041850.db2.gz ISULIQRDGFSNPQ-INIZCTEOSA-N 2 0 323.912 2.888 20 0 DFADRP COC(=O)C[C@@H]1CC[C@H]([NH2+]C2CC[NH+](CC(C)C)CC2)[C@@H]1C ZINC000353923790 283857076 /nfs/dbraw/zinc/85/70/76/283857076.db2.gz ARBKJPTXUGNVLG-VYDXJSESSA-N 2 0 310.482 2.674 20 0 DFADRP [NH3+]C[C@H](NC(=O)NCC[NH2+]C1CCCCCC1)C1CCCCC1 ZINC000418359893 296088351 /nfs/dbraw/zinc/08/83/51/296088351.db2.gz FMENTJHVNNQTHA-KRWDZBQOSA-N 2 0 324.513 2.506 20 0 DFADRP C[C@H]([NH2+][C@@H]1CCCCC[C@H]1O)c1ccc(OCC[NH+](C)C)cc1 ZINC000287087253 299365255 /nfs/dbraw/zinc/36/52/55/299365255.db2.gz PDHPZPWCAZKGKT-KFKAGJAMSA-N 2 0 320.477 2.971 20 0 DFADRP CC[NH+](CC)Cc1ccc(C(=O)NC[C@@H](C)[N@H+](C)C2CC2)cc1 ZINC000057709439 399056241 /nfs/dbraw/zinc/05/62/41/399056241.db2.gz SKOWMXDQDYAXNR-OAHLLOKOSA-N 2 0 317.477 2.741 20 0 DFADRP CO[C@@H](C)[C@H](C)[NH2+]CCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000271781731 209209142 /nfs/dbraw/zinc/20/91/42/209209142.db2.gz LUFCJMSHTOOARB-IRXDYDNUSA-N 2 0 320.477 2.717 20 0 DFADRP COC(=O)[C@@H]1CC[N@H+](CCC[NH+]2CCCCC2)[C@H]2CCCC[C@@H]12 ZINC000595729365 399059199 /nfs/dbraw/zinc/05/91/99/399059199.db2.gz DWEOUFNZCJOPOC-KSZLIROESA-N 2 0 322.493 2.916 20 0 DFADRP C[C@@H]([NH3+])c1ccc(CNC(=O)NC(C)(C)CCC[NH+](C)C)cc1 ZINC000418467336 296098324 /nfs/dbraw/zinc/09/83/24/296098324.db2.gz SCVLYDJXLNOWCG-CQSZACIVSA-N 2 0 320.481 2.626 20 0 DFADRP C[C@@H]([NH2+]CCCC[N@@H+]1CCC[C@H]1CO)c1cc(F)ccc1F ZINC000268924431 296121815 /nfs/dbraw/zinc/12/18/15/296121815.db2.gz PKOLQHYFQUDPNI-HIFRSBDPSA-N 2 0 312.404 2.852 20 0 DFADRP C[C@@H]([NH2+]C[C@H](C)C[NH+]1CCCC1)c1ccc([S@](C)=O)cc1 ZINC000178244048 296131093 /nfs/dbraw/zinc/13/10/93/296131093.db2.gz NQKGOMCZVJBRLD-ZSDSOXJFSA-N 2 0 308.491 2.807 20 0 DFADRP CC[NH+](CC)[C@@H](CNC(=O)C[C@@H]1CCC[C@H]1[NH3+])c1ccsc1 ZINC000261656874 203089271 /nfs/dbraw/zinc/08/92/71/203089271.db2.gz DWCQKOVCSFDXAR-IMJJTQAJSA-N 2 0 323.506 2.765 20 0 DFADRP C[NH+](C)Cc1cccc(NC(=O)[C@@H]2C[C@@H]3CCCC[C@H]3[NH2+]2)c1 ZINC000261811144 203122545 /nfs/dbraw/zinc/12/25/45/203122545.db2.gz ZRSWQSCREHMQKV-UAGQMJEPSA-N 2 0 301.434 2.607 20 0 DFADRP CC[NH+]1CCN([C@H]2CC[N@H+](C/C=C/c3ccc(F)cc3)C2)CC1 ZINC000093133137 193205512 /nfs/dbraw/zinc/20/55/12/193205512.db2.gz VQTYDYHIPHQIDY-RTLBZRNLSA-N 2 0 317.452 2.551 20 0 DFADRP CCC[C@@](C)([NH3+])C(=O)NC1CC[NH+](Cc2ccccc2C)CC1 ZINC000262133713 203207344 /nfs/dbraw/zinc/20/73/44/203207344.db2.gz NHXBSPFQSKFYJU-LJQANCHMSA-N 2 0 317.477 2.593 20 0 DFADRP CC[NH+](CC)[C@H](CNC(=O)[C@H]1CC[NH2+][C@@H](C)C1)c1ccccc1 ZINC000262372613 203277724 /nfs/dbraw/zinc/27/77/24/203277724.db2.gz KFYCJVMJXARENX-RYQLBKOJSA-N 2 0 317.477 2.574 20 0 DFADRP Cc1cc(Cl)cc(C[NH2+]C[C@@H](C)CN2CC[NH+](C)CC2)c1 ZINC000339236789 284141913 /nfs/dbraw/zinc/14/19/13/284141913.db2.gz IFSDHDJHSGUKLK-OAHLLOKOSA-N 2 0 309.885 2.622 20 0 DFADRP C[C@@H](C(=O)NCC1([NH2+][C@@H](C)c2ccccc2)CCCC1)[C@H](C)[NH3+] ZINC000262521722 203318433 /nfs/dbraw/zinc/31/84/33/203318433.db2.gz IQWNWLNNMBFLOD-PMPSAXMXSA-N 2 0 317.477 2.750 20 0 DFADRP C[N@@H+](CC1=CCCOC1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000093336974 193233923 /nfs/dbraw/zinc/23/39/23/193233923.db2.gz OCXPSIWUHQXBIP-SFHVURJKSA-N 2 0 300.446 2.787 20 0 DFADRP C[C@@H]([NH2+]CC1CCN(c2cc[nH+]cc2)CC1)[C@]1(C)CCCO1 ZINC000340270359 284165603 /nfs/dbraw/zinc/16/56/03/284165603.db2.gz AWDIVFOAYBDWDC-QAPCUYQASA-N 2 0 303.450 2.845 20 0 DFADRP CC[NH+]1CCN(c2ccccc2C[N@H+](C)CCSC)CC1 ZINC000093509596 193261216 /nfs/dbraw/zinc/26/12/16/193261216.db2.gz WPNZYZNIWNYJHP-UHFFFAOYSA-N 2 0 307.507 2.623 20 0 DFADRP C[C@@H]([NH2+][C@@H](C)CN1CC[NH+](C)CC1)c1ccc2ccccc2n1 ZINC000177969569 296146831 /nfs/dbraw/zinc/14/68/31/296146831.db2.gz CSIZONKPOHIKJY-JKSUJKDBSA-N 2 0 312.461 2.521 20 0 DFADRP COC(=O)c1cc(C[N@@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)cs1 ZINC000595895937 399126634 /nfs/dbraw/zinc/12/66/34/399126634.db2.gz WQYQEMGVJSXBHF-HUUCEWRRSA-N 2 0 322.474 2.746 20 0 DFADRP C[C@@H]1C[NH+](CCC2CC[NH+](Cc3cccn3C)CC2)C[C@@H](C)O1 ZINC000093844462 193317046 /nfs/dbraw/zinc/31/70/46/193317046.db2.gz UXBLKRRZCKNXCH-IAGOWNOFSA-N 2 0 319.493 2.736 20 0 DFADRP C[N@H+](CCOc1cccc(Br)c1)CC(C)(C)C[NH3+] ZINC000093874325 193322301 /nfs/dbraw/zinc/32/23/01/193322301.db2.gz MRKDNMIWEHSYMX-UHFFFAOYSA-N 2 0 315.255 2.745 20 0 DFADRP [NH3+]CCCOC1CC[NH+](CCOc2ccc(Cl)cc2)CC1 ZINC000094072896 193343632 /nfs/dbraw/zinc/34/36/32/193343632.db2.gz ZDXVZTGNGTYSIQ-UHFFFAOYSA-N 2 0 312.841 2.549 20 0 DFADRP CCC[C@@H](C(=O)NCc1cccc(C[N@H+](C)C(C)C)c1)[NH+](C)C ZINC000094128089 193346348 /nfs/dbraw/zinc/34/63/48/193346348.db2.gz SRDMHNDOTQREEQ-SFHVURJKSA-N 2 0 319.493 2.873 20 0 DFADRP COC(=O)c1cc(C[NH+]2CCC([C@H]3CCC[NH2+]C3)CC2)cs1 ZINC000595901589 399129004 /nfs/dbraw/zinc/12/90/04/399129004.db2.gz YLVYBUIBLDWQBW-HNNXBMFYSA-N 2 0 322.474 2.746 20 0 DFADRP CSc1ccc([C@H](CN[C@@H]2CC[N@H+](C)C[C@H]2C)[NH+](C)C)cc1 ZINC000340530696 284189518 /nfs/dbraw/zinc/18/95/18/284189518.db2.gz GDQIDPGKYVXMJO-OLMNPRSZSA-N 2 0 321.534 2.941 20 0 DFADRP CC(C)CSCCC[N@@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000595907796 399130562 /nfs/dbraw/zinc/13/05/62/399130562.db2.gz YLYBSKKVKIXPHI-MRXNPFEDSA-N 2 0 302.528 2.808 20 0 DFADRP Cc1cc(NC[C@@H]2CCC[NH2+]C2)c2cc(OC(F)F)ccc2[nH+]1 ZINC000420170350 296160384 /nfs/dbraw/zinc/16/03/84/296160384.db2.gz MYKODSGVKOBHIN-GFCCVEGCSA-N 2 0 321.371 2.978 20 0 DFADRP CCOc1cc2[nH+]ccc(N(C)[C@H](C)C[NH3+])c2cc1OCC ZINC000420191538 296161490 /nfs/dbraw/zinc/16/14/90/296161490.db2.gz RRSVYXQOLDKAIN-GFCCVEGCSA-N 2 0 303.406 2.816 20 0 DFADRP Cc1ccc(CCC[N@@H+](C)CCN(C)C2CC[NH+](C)CC2)cc1 ZINC000182272637 399143058 /nfs/dbraw/zinc/14/30/58/399143058.db2.gz PCPYRADDPNWKKN-UHFFFAOYSA-N 2 0 317.521 2.885 20 0 DFADRP CN(CC[N@H+](C)CCCCC(F)(F)F)C1CC[NH+](C)CC1 ZINC000341121540 284240010 /nfs/dbraw/zinc/24/00/10/284240010.db2.gz DPBYRISQWKHTBY-UHFFFAOYSA-N 2 0 309.420 2.677 20 0 DFADRP CCOC(=O)c1cnc2ccccc2c1N1CC[C@](C)(C[NH3+])C1 ZINC000420240082 296164878 /nfs/dbraw/zinc/16/48/78/296164878.db2.gz JNYYOAGQUDCBLS-GOSISDBHSA-N 2 0 313.401 2.587 20 0 DFADRP CCc1cc(N2CCC[C@H](CC[NH3+])C2)nc(-c2ccncc2)n1 ZINC000420240168 296165014 /nfs/dbraw/zinc/16/50/14/296165014.db2.gz KFIXOOJWBDDSFV-CQSZACIVSA-N 2 0 311.433 2.666 20 0 DFADRP COc1cc2c(cc1F)[nH+]ccc2N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000420244872 296165442 /nfs/dbraw/zinc/16/54/42/296165442.db2.gz YTNNEKGAFZBDQI-TXEJJXNPSA-N 2 0 301.365 2.713 20 0 DFADRP CCOc1ccccc1NC(=O)CC[N@H+](C)CC[C@@H]([NH3+])C(C)C ZINC000420295357 296170400 /nfs/dbraw/zinc/17/04/00/296170400.db2.gz VHWOYCNRTCOQBR-OAHLLOKOSA-N 2 0 321.465 2.719 20 0 DFADRP C[NH+](C)C[C@H]1CC[N@H+](CCC(=O)Nc2ccccc2Cl)C1 ZINC000264951933 204298274 /nfs/dbraw/zinc/29/82/74/204298274.db2.gz BTFNUJPZDVXFHB-CYBMUJFWSA-N 2 0 309.841 2.552 20 0 DFADRP CC(C)[C@H]([NH3+])CCN(C)Cc1nc(-c2ccc(F)c(F)c2)no1 ZINC000420292849 296170191 /nfs/dbraw/zinc/17/01/91/296170191.db2.gz QDWVGXSCVHLPCM-CQSZACIVSA-N 2 0 324.375 2.820 20 0 DFADRP Cc1cc(C)c(NC(=O)C[N@H+](C)CC[C@@H]2CCC[NH2+]C2)c(C)c1 ZINC000420300136 296171217 /nfs/dbraw/zinc/17/12/17/296171217.db2.gz HIKMMUPILFFNET-KRWDZBQOSA-N 2 0 317.477 2.872 20 0 DFADRP CC[N@H+](CC[C@H]1CCC[NH2+]C1)[C@H](COC)Cc1ccccc1 ZINC000420295217 296170718 /nfs/dbraw/zinc/17/07/18/296170718.db2.gz BXVFPVRQOIKKHT-MOPGFXCFSA-N 2 0 304.478 2.956 20 0 DFADRP Fc1ccc(OC2CC[NH+](CC[C@H]3CC[NH2+]C3)CC2)c(F)c1 ZINC000420297431 296170799 /nfs/dbraw/zinc/17/07/99/296170799.db2.gz DIXKBHZHMUJIEY-CYBMUJFWSA-N 2 0 310.388 2.808 20 0 DFADRP Cc1cccc(CN2CC[NH+](CC[C@@H]3CCC[NH2+]C3)CC2)c1 ZINC000420296453 296170834 /nfs/dbraw/zinc/17/08/34/296170834.db2.gz DPSKMQPHFJCCAB-SFHVURJKSA-N 2 0 301.478 2.502 20 0 DFADRP COCC[N@H+](CCCc1ccccc1)CC[C@@H]1CCC[NH2+]C1 ZINC000420296408 296171031 /nfs/dbraw/zinc/17/10/31/296171031.db2.gz DMIWSVWATMJMKK-IBGZPJMESA-N 2 0 304.478 2.957 20 0 DFADRP C[C@H]1[C@H](c2ccccc2)CC[N@@H+]1C[C@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC000420299285 296171386 /nfs/dbraw/zinc/17/13/86/296171386.db2.gz IRJOCBSCDZRXSB-CZGNIMDHSA-N 2 0 324.468 2.795 20 0 DFADRP CCS[C@H]1CCCC[N@H+](C[C@H](O)[C@@H]([NH3+])Cc2ccccc2)C1 ZINC000420299231 296171390 /nfs/dbraw/zinc/17/13/90/296171390.db2.gz ILGPRGVYSQOHBW-BZSNNMDCSA-N 2 0 322.518 2.525 20 0 DFADRP CC[NH+](CC)CC(=O)N(C)C1CC[NH+](C2CCC(C)CC2)CC1 ZINC000061606977 399160653 /nfs/dbraw/zinc/16/06/53/399160653.db2.gz ABQFTAWGOXPRQD-UHFFFAOYSA-N 2 0 323.525 2.830 20 0 DFADRP O=C(Nc1ccccc1)[C@@H]1CCC[N@H+](CC[C@@H]2CCC[NH2+]C2)C1 ZINC000420303470 296172258 /nfs/dbraw/zinc/17/22/58/296172258.db2.gz KKDWCRAILGOYPE-DLBZAZTESA-N 2 0 315.461 2.727 20 0 DFADRP COC(=O)CCC[N@@H+]1CCCC[C@@H]1[C@@H](C[NH3+])Cc1ccccc1 ZINC000420304598 296172111 /nfs/dbraw/zinc/17/21/11/296172111.db2.gz FDFLAYBHKWDVBG-QZTJIDSGSA-N 2 0 318.461 2.612 20 0 DFADRP CC(C)[C@H](CO)[N@H+](CC[C@H]1CCC[NH2+]C1)Cc1ccccc1 ZINC000420302970 296172150 /nfs/dbraw/zinc/17/21/50/296172150.db2.gz MVBLYMHYHJYWAA-MJGOQNOKSA-N 2 0 304.478 2.895 20 0 DFADRP Clc1ccc(CN2CC[NH+](CC[C@@H]3CC[NH2+]C3)CC2)s1 ZINC000420307940 296172794 /nfs/dbraw/zinc/17/27/94/296172794.db2.gz RSJADSHKSWCPEL-ZDUSSCGKSA-N 2 0 313.898 2.519 20 0 DFADRP O=C(c1ccc(F)cc1)[C@H]1CCC[N@H+](CC[C@H]2CC[NH2+]C2)C1 ZINC000420312289 296173357 /nfs/dbraw/zinc/17/33/57/296173357.db2.gz WQNDRNWJNBBYAF-ZBFHGGJFSA-N 2 0 304.409 2.720 20 0 DFADRP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](CCOc3ccc(Cl)c(F)c3)C[C@@H]21 ZINC000420313484 296173847 /nfs/dbraw/zinc/17/38/47/296173847.db2.gz UCEFFYLGBFHJGJ-PVXIVEMSSA-N 2 0 312.816 2.917 20 0 DFADRP C[C@H]1C[C@@H](c2ccccc2)C[N@@H+]1C[C@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC000420315115 296173851 /nfs/dbraw/zinc/17/38/51/296173851.db2.gz ZRLRVCVQJLECSW-CZGNIMDHSA-N 2 0 324.468 2.795 20 0 DFADRP CCOC(=O)CC[N@@H+]1CCCC[C@H]1[C@@H](C[NH3+])Cc1ccccc1 ZINC000420314807 296173856 /nfs/dbraw/zinc/17/38/56/296173856.db2.gz QVTVSEBKBOHBMK-MSOLQXFVSA-N 2 0 318.461 2.612 20 0 DFADRP COc1ccccc1CCC[NH+]1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000420318137 296174537 /nfs/dbraw/zinc/17/45/37/296174537.db2.gz PPJWKYCKKDUPGT-SFHVURJKSA-N 2 0 302.462 2.949 20 0 DFADRP COc1ccc([C@@H](C[NH3+])C[N@@H+]2CCc3ccc(O)cc3C2)cc1 ZINC000420318358 296174573 /nfs/dbraw/zinc/17/45/73/296174573.db2.gz ONTWPZGBJCNVAP-KRWDZBQOSA-N 2 0 312.413 2.501 20 0 DFADRP COc1ccc([C@@H](C[NH3+])C[N@@H+]2CCC[C@H]2c2cc(C)no2)cc1 ZINC000420319342 296174579 /nfs/dbraw/zinc/17/45/79/296174579.db2.gz PFZLKDKGPZZVNH-RDJZCZTQSA-N 2 0 315.417 2.871 20 0 DFADRP Clc1cccc([C@@H]2C[NH2+]CCN2CC[C@H]2CCC[NH2+]C2)c1 ZINC000420322560 296174736 /nfs/dbraw/zinc/17/47/36/296174736.db2.gz WSKYJUJFCADDLK-PBHICJAKSA-N 2 0 307.869 2.676 20 0 DFADRP CC(C)[N@@H+](Cc1ccccc1)C[C@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC000420317755 296174192 /nfs/dbraw/zinc/17/41/92/296174192.db2.gz NVZUCVHJAXRHQN-PMACEKPBSA-N 2 0 312.457 2.828 20 0 DFADRP c1ccc2c(c1)cccc2[C@H]1CCC[N@H+]1CCN1CC[NH2+]CC1 ZINC000420320013 296174300 /nfs/dbraw/zinc/17/43/00/296174300.db2.gz PZUHRKRZSWKWMH-HXUWFJFHSA-N 2 0 309.457 2.882 20 0 DFADRP Fc1ccccc1CC[N@H+](CCN1CC[NH2+]CC1)C1CCCC1 ZINC000420323368 296175216 /nfs/dbraw/zinc/17/52/16/296175216.db2.gz TUCYWSXJKLMBIE-UHFFFAOYSA-N 2 0 319.468 2.518 20 0 DFADRP FCCCCC[NH+]1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000341905763 284287031 /nfs/dbraw/zinc/28/70/31/284287031.db2.gz CNKJGMBUBFUJQN-UHFFFAOYSA-N 2 0 300.462 2.951 20 0 DFADRP C[C@H](C(=O)Nc1cccc(Cl)c1)[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000420327689 296176264 /nfs/dbraw/zinc/17/62/64/296176264.db2.gz DNWLSXNEVMQGPP-MCIONIFRSA-N 2 0 321.852 2.598 20 0 DFADRP Cc1cc(C)cc(NC(=O)C[NH+]2CCC([C@@H]3CCC[NH2+]3)CC2)c1 ZINC000420330634 296176377 /nfs/dbraw/zinc/17/63/77/296176377.db2.gz BAHBCFRUQQXVIX-SFHVURJKSA-N 2 0 315.461 2.706 20 0 DFADRP CSc1ccccc1NC(=O)C[N@H+](C)CC[C@H]1CCC[NH2+]C1 ZINC000420325935 296175678 /nfs/dbraw/zinc/17/56/78/296175678.db2.gz WXIMWMSPGURGGA-CQSZACIVSA-N 2 0 321.490 2.669 20 0 DFADRP COc1cc(C)c(C[N@H+](C)CC[C@@H]2CCC[NH2+]C2)cc1OC ZINC000420326217 296175766 /nfs/dbraw/zinc/17/57/66/296175766.db2.gz WYPPOQBJGTVFHH-HNNXBMFYSA-N 2 0 306.450 2.834 20 0 DFADRP COc1cccc(C[N@H+](CC[C@H]2CC[NH2+]C2)C[C@@H]2CCCO2)c1 ZINC000420328526 296176011 /nfs/dbraw/zinc/17/60/11/296176011.db2.gz ZUPCVOOWLVVSPU-APWZRJJASA-N 2 0 318.461 2.676 20 0 DFADRP CCO[C@H](C)c1nc(C[N@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)cs1 ZINC000420338750 296177509 /nfs/dbraw/zinc/17/75/09/296177509.db2.gz NXBAQQZNQFEZPI-MCIONIFRSA-N 2 0 309.479 2.672 20 0 DFADRP COC(=O)c1ccc(F)c(C[NH+]2CCC([C@H]3CCC[NH2+]3)CC2)c1 ZINC000420332565 296176699 /nfs/dbraw/zinc/17/66/99/296176699.db2.gz GNIQFPBOVFTFDO-QGZVFWFLSA-N 2 0 320.408 2.576 20 0 DFADRP CCOc1ccc(OCC[N@@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)cc1 ZINC000420345002 296178097 /nfs/dbraw/zinc/17/80/97/296178097.db2.gz VNDLXYICJIOXAO-SJORKVTESA-N 2 0 318.461 2.786 20 0 DFADRP c1cc(-c2nc(C[N@H+]3CC[C@H]4C[NH2+]C[C@H]4CC3)cs2)co1 ZINC000420342554 296177667 /nfs/dbraw/zinc/17/76/67/296177667.db2.gz RAFQKSLTWGQWAF-BETUJISGSA-N 2 0 303.431 2.835 20 0 DFADRP C[N@@H+]1CCN(CC[NH2+]Cc2cc3ccccc3o2)CC1(C)C ZINC000282514228 217053399 /nfs/dbraw/zinc/05/33/99/217053399.db2.gz XSHSQNSVJMJSCF-UHFFFAOYSA-N 2 0 301.434 2.548 20 0 DFADRP O=C(CC[N@@H+]1CCC[C@@]2(CC[NH2+]C2)C1)Nc1ccc(Cl)cc1 ZINC000420355877 296179130 /nfs/dbraw/zinc/17/91/30/296179130.db2.gz CQIIUVAVVTYLKK-KRWDZBQOSA-N 2 0 321.852 2.744 20 0 DFADRP c1ccc(CC[C@@H]2C[N@H+](CCC3CC[NH2+]CC3)CCO2)cc1 ZINC000420358003 296179724 /nfs/dbraw/zinc/17/97/24/296179724.db2.gz IOSWLZKBRRWWLP-LJQANCHMSA-N 2 0 302.462 2.710 20 0 DFADRP FC(F)(F)c1c[nH]c([C@H]2CCC[N@H+](CC[C@@H]3CC[NH2+]C3)C2)n1 ZINC000420361873 296179885 /nfs/dbraw/zinc/17/98/85/296179885.db2.gz NREDVNGFPBMPLH-RYUDHWBXSA-N 2 0 316.371 2.608 20 0 DFADRP FC(F)(F)c1c[nH]c([C@@H]2CCC[N@H+](CC[C@H]3CC[NH2+]C3)C2)n1 ZINC000420361874 296179979 /nfs/dbraw/zinc/17/99/79/296179979.db2.gz NREDVNGFPBMPLH-VXGBXAGGSA-N 2 0 316.371 2.608 20 0 DFADRP Cc1nc(-c2cc3c(s2)CC[N@H+](CCOCC[NH3+])C3)cs1 ZINC000420364893 296180728 /nfs/dbraw/zinc/18/07/28/296180728.db2.gz DFZLMVBBUZVHSI-UHFFFAOYSA-N 2 0 323.487 2.513 20 0 DFADRP c1ccc(CC[C@H]2C[N@H+](CC[C@H]3CCC[NH2+]C3)CCO2)cc1 ZINC000420364342 296180460 /nfs/dbraw/zinc/18/04/60/296180460.db2.gz QOIBFQRMLLSCBE-MOPGFXCFSA-N 2 0 302.462 2.710 20 0 DFADRP O=C(CC[N@@H+]1CCC[C@]2(CC[NH2+]C2)C1)Nc1cccc(Cl)c1 ZINC000420367390 296181095 /nfs/dbraw/zinc/18/10/95/296181095.db2.gz KAZKSUSWILBDHL-QGZVFWFLSA-N 2 0 321.852 2.744 20 0 DFADRP CC1CC[NH+](Cc2ccc(NC(=O)/C=C/C[NH+](C)C)cc2)CC1 ZINC000265640889 204759839 /nfs/dbraw/zinc/75/98/39/204759839.db2.gz LWSBVFJYZGVNGB-SNAWJCMRSA-N 2 0 315.461 2.975 20 0 DFADRP CC[C@H](c1ccc(F)cc1)[N@@H+]1CCC[C@H](n2cc(C[NH3+])nn2)C1 ZINC000420372322 296181886 /nfs/dbraw/zinc/18/18/86/296181886.db2.gz FCQXDBCJFNOWHD-DLBZAZTESA-N 2 0 317.412 2.664 20 0 DFADRP CC[C@H]1C[N@H+](CC[C@H]2CC[NH2+]C2)CCN1Cc1ccccc1 ZINC000420377919 296183072 /nfs/dbraw/zinc/18/30/72/296183072.db2.gz SVYQAZSRICWKGP-MJGOQNOKSA-N 2 0 301.478 2.582 20 0 DFADRP Cn1c2ccccc2nc1CC[N@@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000420378068 296183252 /nfs/dbraw/zinc/18/32/52/296183252.db2.gz BBWLAKZYJNYAMB-NVXWUHKLSA-N 2 0 312.461 2.580 20 0 DFADRP [NH3+]CCOCC[N@@H+]1CCc2ccccc2[C@H]1Cc1ccccc1 ZINC000420380471 296183620 /nfs/dbraw/zinc/18/36/20/296183620.db2.gz WTVSOYFUEHFFRK-HXUWFJFHSA-N 2 0 310.441 2.804 20 0 DFADRP [NH3+][C@H]1CCO[C@@H](C2CC[NH+](CCOC3CCCCCC3)CC2)C1 ZINC000420384766 296183876 /nfs/dbraw/zinc/18/38/76/296183876.db2.gz GTORBBFFKCETRK-PKOBYXMFSA-N 2 0 324.509 2.944 20 0 DFADRP O=C(CC[N@@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1)Nc1ccccc1F ZINC000420387765 296184561 /nfs/dbraw/zinc/18/45/61/296184561.db2.gz GNMYUXHSWXWYEV-YOEHRIQHSA-N 2 0 319.424 2.618 20 0 DFADRP COc1cccc([C@H](C)[NH+]2CCC([C@H]3C[C@H]([NH3+])CCO3)CC2)c1 ZINC000420385724 296184565 /nfs/dbraw/zinc/18/45/65/296184565.db2.gz HWPBFAIMNZYPHK-POZUXBRTSA-N 2 0 318.461 2.975 20 0 DFADRP [NH3+][C@@H]1CCCO[C@H]1C1CC[NH+](CCCc2ccccc2)CC1 ZINC000420388186 296184790 /nfs/dbraw/zinc/18/47/90/296184790.db2.gz WYKLTDKPCDSXKH-MOPGFXCFSA-N 2 0 302.462 2.838 20 0 DFADRP C[C@H]1CC(CC[N@@H+]2CCC[C@@H](n3cc(C[NH3+])nn3)C2)C[C@H](C)C1 ZINC000420389765 296184922 /nfs/dbraw/zinc/18/49/22/296184922.db2.gz YSXZDCUOAZCTGM-IIDMSEBBSA-N 2 0 319.497 2.836 20 0 DFADRP C[C@@H](c1ccccc1Cl)[N@@H+]1CCC[C@@H](n2cc(C[NH3+])nn2)C1 ZINC000420390207 296184989 /nfs/dbraw/zinc/18/49/89/296184989.db2.gz ZAOMAEIKROKTKP-GXTWGEPZSA-N 2 0 319.840 2.788 20 0 DFADRP Cc1cccc(OCC[NH+]2CCC([C@@H]3C[C@@H]([NH3+])CCO3)CC2)c1 ZINC000420395909 296185649 /nfs/dbraw/zinc/18/56/49/296185649.db2.gz UURAAAOVKAYFEK-HKUYNNGSSA-N 2 0 318.461 2.592 20 0 DFADRP COc1ccc([C@@H](C[NH3+])C[NH2+][C@H](C)c2cncc(F)c2)cc1 ZINC000420403626 296186897 /nfs/dbraw/zinc/18/68/97/296186897.db2.gz LGQFNPFMVTUIGD-DOMZBBRYSA-N 2 0 303.381 2.622 20 0 DFADRP CC(C)(C)[C@H]([NH2+]CCN1CC[NH2+]CC1)c1ccc(F)cc1F ZINC000420401815 296186470 /nfs/dbraw/zinc/18/64/70/296186470.db2.gz JNEBGJYZRDRHHI-MRXNPFEDSA-N 2 0 311.420 2.547 20 0 DFADRP C[C@@H]([NH2+]CCCN1CCN(c2cc[nH+]cc2)CC1)[C@@H]1CC1(C)C ZINC000486968768 299434750 /nfs/dbraw/zinc/43/47/50/299434750.db2.gz OOLZSPIMPICOCN-AEFFLSMTSA-N 2 0 316.493 2.618 20 0 DFADRP COC(=O)c1cc2cc(C[N@@H+]3CC[C@@H](C)[C@@H](C[NH3+])C3)ccc2o1 ZINC000420422751 296188294 /nfs/dbraw/zinc/18/82/94/296188294.db2.gz ZNMVRQCPMJDQPX-DOMZBBRYSA-N 2 0 316.401 2.636 20 0 DFADRP C[C@@H]1[C@H](C(=O)Nc2ccccc2Nc2cc[nH+]cc2)CC[N@@H+]1C ZINC000614254016 399189787 /nfs/dbraw/zinc/18/97/87/399189787.db2.gz CBKPGNZKKVJCDC-UKRRQHHQSA-N 2 0 310.401 2.526 20 0 DFADRP C[NH+]1CCC(CC(=O)Nc2ccccc2Nc2cc[nH+]cc2)CC1 ZINC000614255672 399190997 /nfs/dbraw/zinc/19/09/97/399190997.db2.gz UYPWAYKJZGEXHL-UHFFFAOYSA-N 2 0 324.428 2.918 20 0 DFADRP Cc1ccoc1C[NH2+]CCc1ccc(OCC[NH+](C)C)cc1 ZINC000266227194 205198618 /nfs/dbraw/zinc/19/86/18/205198618.db2.gz SOKDAWMRZCSLEQ-UHFFFAOYSA-N 2 0 302.418 2.861 20 0 DFADRP CC(C)[N@H+](C)CC(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC000063582712 399195810 /nfs/dbraw/zinc/19/58/10/399195810.db2.gz OMTCCKXRMMHASB-UHFFFAOYSA-N 2 0 317.477 2.994 20 0 DFADRP C[N@@H+]1CCCC[C@@H]1C(=O)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000600996885 399198839 /nfs/dbraw/zinc/19/88/39/399198839.db2.gz LZQPHEFACQVGIN-QZTJIDSGSA-N 2 0 321.509 2.585 20 0 DFADRP C[C@H]1[C@H]([NH2+]Cc2ccc(C(N)=O)cc2)CCN1Cc1ccccc1 ZINC000288387626 220125652 /nfs/dbraw/zinc/12/56/52/220125652.db2.gz GPWRPKLMNJCWJC-HNAYVOBHSA-N 2 0 323.440 2.538 20 0 DFADRP COC(=O)[C@H]1CC[C@@H]([NH2+]C2CC[NH+]([C@@H]3CCCC[C@H]3C)CC2)C1 ZINC000365308435 284381706 /nfs/dbraw/zinc/38/17/06/284381706.db2.gz QGKJZBQFMFDFIU-CYGHRXIMSA-N 2 0 322.493 2.961 20 0 DFADRP C[C@H]([NH2+]CCN1CC[N@H+](C)C(C)(C)C1)[C@@H]1C[C@H]1c1ccccc1 ZINC000282985522 217372303 /nfs/dbraw/zinc/37/23/03/217372303.db2.gz FAYHNGQEHYJLQL-WDSOQIARSA-N 2 0 315.505 2.794 20 0 DFADRP C[C@@H]1CC[C@@H](C(=O)OC(C)(C)C)C[N@@H+]1CC[C@@H]1CCC[NH+]1C ZINC000420920250 296212132 /nfs/dbraw/zinc/21/21/32/296212132.db2.gz ARKOFMIDELTFSM-OAGGEKHMSA-N 2 0 310.482 2.913 20 0 DFADRP C[C@@H]1CC[C@H](C(=O)OC(C)(C)C)C[N@@H+]1CC[C@@H]1CCC[NH+]1C ZINC000420920252 296212329 /nfs/dbraw/zinc/21/23/29/296212329.db2.gz ARKOFMIDELTFSM-PMPSAXMXSA-N 2 0 310.482 2.913 20 0 DFADRP O[C@H]1C[C@@H](C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3Cc3ccccc3)C2)C1 ZINC000420945216 296216139 /nfs/dbraw/zinc/21/61/39/296216139.db2.gz YQKNZYMJJLGZTK-ZRNYENFQSA-N 2 0 314.473 2.744 20 0 DFADRP CC(C)[NH+]1CCN(CCC[N@@H+]2CC[C@@H](C3CCCC3)C2)CC1 ZINC000420960574 296218186 /nfs/dbraw/zinc/21/81/86/296218186.db2.gz GVBAMZMQVNHLNB-LJQANCHMSA-N 2 0 307.526 2.915 20 0 DFADRP CC1=C[C@@H](C)C[N@H+](Cc2ccc(CN3CCOCC3)cc2)C1 ZINC000420966502 296218945 /nfs/dbraw/zinc/21/89/45/296218945.db2.gz QYQOMHSFEYPVSQ-MRXNPFEDSA-N 2 0 300.446 2.917 20 0 DFADRP CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)[C@@H]1CCCC[NH+]1C1CCCC1 ZINC000622408569 399252032 /nfs/dbraw/zinc/25/20/32/399252032.db2.gz CPNQDGUCZMRFCF-MSOLQXFVSA-N 2 0 321.509 2.726 20 0 DFADRP CC(C)[C@@H]1CN(C(=O)[C@H]2CCCC[NH+]2C2CCCC2)CC[N@@H+]1C ZINC000622555320 399259428 /nfs/dbraw/zinc/25/94/28/399259428.db2.gz SRWGTHQATIQKNE-MSOLQXFVSA-N 2 0 321.509 2.582 20 0 DFADRP C[C@H]([NH2+]Cc1ccncc1OCC[NH+](C)C)c1cccs1 ZINC000343970033 284546809 /nfs/dbraw/zinc/54/68/09/284546809.db2.gz BXPFNPYCCQBFCU-ZDUSSCGKSA-N 2 0 305.447 2.934 20 0 DFADRP CC[C@H](C(=O)N1CC[NH+](C(C)(C)CC(C)(C)C)CC1)[NH+](C)C ZINC000622663457 399266310 /nfs/dbraw/zinc/26/63/10/399266310.db2.gz JXCIELKZCSJKAU-OAHLLOKOSA-N 2 0 311.514 2.686 20 0 DFADRP CCOC(=O)[C@@H]1CC[C@@H]([NH2+]C2CCC([NH+](C)C)CC2)C[C@H]1C ZINC000421372052 296250068 /nfs/dbraw/zinc/25/00/68/296250068.db2.gz LUCOFEOAFDHYNU-OHYMQKJLSA-N 2 0 310.482 2.817 20 0 DFADRP COc1ccccc1/C=C\C[NH2+]CC1(O)CC[NH+](C(C)C)CC1 ZINC000344627874 284659307 /nfs/dbraw/zinc/65/93/07/284659307.db2.gz GHJQOZCLGUIXQP-VURMDHGXSA-N 2 0 318.461 2.533 20 0 DFADRP COC1([C@H](C)[NH2+]C2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)CCCC1 ZINC000421841409 296277315 /nfs/dbraw/zinc/27/73/15/296277315.db2.gz IRBPWHYCIYQJMJ-CGTJXYLNSA-N 2 0 324.509 2.692 20 0 DFADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2cc(C)nc(C)c2)[C@H](C)C1 ZINC000421879455 296278508 /nfs/dbraw/zinc/27/85/08/296278508.db2.gz NEWDAWXDVLQENE-DNVCBOLYSA-N 2 0 319.493 2.925 20 0 DFADRP CC1(C)CC[C@@H]1[NH2+]Cc1ccccc1C[N@@H+]1CCC[C@@H]1CO ZINC000284411276 218017024 /nfs/dbraw/zinc/01/70/24/218017024.db2.gz QHMWUZNDQHBKDK-MSOLQXFVSA-N 2 0 302.462 2.922 20 0 DFADRP C[C@@H]([NH2+]CCC1(O)CCC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000284410766 218017278 /nfs/dbraw/zinc/01/72/78/218017278.db2.gz QLDQZMURVOMSOZ-SJLPKXTDSA-N 2 0 302.462 2.792 20 0 DFADRP CO[C@H](C)[C@H](C)[NH2+]Cc1ccc(OC2CC[NH+](C)CC2)cc1 ZINC000284510690 218058840 /nfs/dbraw/zinc/05/88/40/218058840.db2.gz YJFOWWAUCDFKOH-LSDHHAIUSA-N 2 0 306.450 2.673 20 0 DFADRP c1[nH]nc2c1CN([C@@H]1CC[N@@H+](Cc3ccccc3)C3(CC3)C1)CC2 ZINC000623244025 399345294 /nfs/dbraw/zinc/34/52/94/399345294.db2.gz XJOAOTKXDUJXOT-GOSISDBHSA-N 2 0 322.456 2.965 20 0 DFADRP Cc1ccccc1NC(=O)C[C@H](C)[NH2+]CC1=CC[N@H+](C)CC1 ZINC000271885114 209296089 /nfs/dbraw/zinc/29/60/89/209296089.db2.gz QJXFRSJXWUIGTA-HNNXBMFYSA-N 2 0 301.434 2.564 20 0 DFADRP C[C@H]([NH2+]C[C@@H]1CCCN(C)[C@H]1c1ccnn1C)c1ccccn1 ZINC000284810288 218186755 /nfs/dbraw/zinc/18/67/55/218186755.db2.gz KRYMFSMTIOEDNM-RLFYNMQTSA-N 2 0 313.449 2.549 20 0 DFADRP FC(F)(F)c1sccc1C[NH2+]CCCC[NH+]1CCOCC1 ZINC000623358614 399371798 /nfs/dbraw/zinc/37/17/98/399371798.db2.gz JAYPQACSSLDODV-UHFFFAOYSA-N 2 0 322.396 2.969 20 0 DFADRP CCc1cc(N2CC[C@H]3OCC[N@H+](C)[C@H]3C2)c2ccccc2[nH+]1 ZINC000285031128 218263412 /nfs/dbraw/zinc/26/34/12/218263412.db2.gz NJSCYSDMMWWTOA-RBUKOAKNSA-N 2 0 311.429 2.707 20 0 DFADRP CC(C)[C@@H](C(=O)NC[C@@H](c1ccco1)[NH+]1CCCCC1)[NH+](C)C ZINC000106426120 194211298 /nfs/dbraw/zinc/21/12/98/194211298.db2.gz LJRXGYRWQSHVKF-RDJZCZTQSA-N 2 0 321.465 2.509 20 0 DFADRP COC(=O)c1ccc(C[NH2+]CCCCC[NH+]2CCCCC2)n1C ZINC000602004012 399380587 /nfs/dbraw/zinc/38/05/87/399380587.db2.gz DGZVAXXEHZBPSQ-UHFFFAOYSA-N 2 0 321.465 2.558 20 0 DFADRP C[C@H]1C[N@H+](CCC[NH2+][C@@H]2CCCc3c(O)cccc32)CCCO1 ZINC000285154479 218311384 /nfs/dbraw/zinc/31/13/84/218311384.db2.gz MJRQNIMVDFBCBR-MAUKXSAKSA-N 2 0 318.461 2.860 20 0 DFADRP CC[C@@H]([NH2+]CC[C@@H]([NH3+])Cc1ccccc1)C1(C(=O)OC)CCC1 ZINC000602018357 399385176 /nfs/dbraw/zinc/38/51/76/399385176.db2.gz AOAXATATUWUHAG-IAGOWNOFSA-N 2 0 318.461 2.658 20 0 DFADRP C[C@H]([NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1)c1ccc(NC(N)=O)cc1 ZINC000623418101 399384851 /nfs/dbraw/zinc/38/48/51/399384851.db2.gz BVVSOSFFDHYFPZ-SWLSCSKDSA-N 2 0 304.438 2.701 20 0 DFADRP CSC1(C[NH2+]Cc2ccc3nccnc3c2)CC[NH+](C)CC1 ZINC000602018903 399385504 /nfs/dbraw/zinc/38/55/04/399385504.db2.gz BBACTAYPSBRJQK-UHFFFAOYSA-N 2 0 316.474 2.547 20 0 DFADRP C[N@@H+]1CC[C@@H]([NH2+][C@@H](CO)Cc2c[nH]c3ccccc23)CC1(C)C ZINC000623421717 399385956 /nfs/dbraw/zinc/38/59/56/399385956.db2.gz XLCIKELKUYKJRR-HZPDHXFCSA-N 2 0 315.461 2.534 20 0 DFADRP CC[NH+](CC)Cc1ccccc1C[NH2+]Cc1c(C)cnn1C ZINC000285345912 218391414 /nfs/dbraw/zinc/39/14/14/218391414.db2.gz DFSWBBVTPYYNHR-UHFFFAOYSA-N 2 0 300.450 2.860 20 0 DFADRP CCN(CC[NH2+][C@@H](C)c1ccc(OCC[NH+](C)C)cc1)C1CC1 ZINC000268834541 207001649 /nfs/dbraw/zinc/00/16/49/207001649.db2.gz LFFURGWXHCPPQZ-INIZCTEOSA-N 2 0 319.493 2.762 20 0 DFADRP [NH3+]C[C@H]1C[N@H+](Cc2cccc(C3CC3)c2)CC12CCOCC2 ZINC000422557627 296312011 /nfs/dbraw/zinc/31/20/11/296312011.db2.gz WTRIOMVRUDYPJI-SFHVURJKSA-N 2 0 300.446 2.751 20 0 DFADRP C[N@@H+]1CCCN(CCC[NH2+][C@@H]2CCC[C@H]2c2ccccc2)CC1 ZINC000268838711 207004255 /nfs/dbraw/zinc/00/42/55/207004255.db2.gz BVPRTFTZNXWPHB-VQTJNVASSA-N 2 0 315.505 2.940 20 0 DFADRP C[C@@H]1C[C@@H](C)[N@H+](CCCc2ccc3c(c2)CCO3)C[C@H]1C[NH3+] ZINC000422560989 296312794 /nfs/dbraw/zinc/31/27/94/296312794.db2.gz IIFVOGOPFNIHRP-IIDMSEBBSA-N 2 0 302.462 2.859 20 0 DFADRP C[C@@H]1C[C@H](C)[N@H+](Cc2cnn(-c3ccc(F)cc3)c2)C[C@H]1C[NH3+] ZINC000422561087 296312816 /nfs/dbraw/zinc/31/28/16/296312816.db2.gz IXNYSPOGQMSZLY-IJEWVQPXSA-N 2 0 316.424 2.817 20 0 DFADRP CCOc1cc(C[NH2+]C(C)(C)CC[NH3+])cc(Cl)c1OC ZINC000422564413 296312911 /nfs/dbraw/zinc/31/29/11/296312911.db2.gz VYEAYHPMFLYKDE-UHFFFAOYSA-N 2 0 300.830 2.964 20 0 DFADRP CC(C)(CC[NH3+])[NH2+]Cc1cc(Br)cc2c1OCC2 ZINC000422564127 296312995 /nfs/dbraw/zinc/31/29/95/296312995.db2.gz VKYVCMJSSFGQPV-UHFFFAOYSA-N 2 0 313.239 2.601 20 0 DFADRP C[C@@H]([NH3+])C1CC[NH+](CCC(=O)Nc2ccccc2Cl)CC1 ZINC000110649322 194345614 /nfs/dbraw/zinc/34/56/14/194345614.db2.gz HDRNCDZEGJSWGI-GFCCVEGCSA-N 2 0 309.841 2.728 20 0 DFADRP COc1ccc(C[NH+]2CCC(C[NH2+][C@@H](C)[C@H](C)OC)CC2)cc1 ZINC000268879309 207048841 /nfs/dbraw/zinc/04/88/41/207048841.db2.gz FGNGNUNVUMEYGG-HOTGVXAUSA-N 2 0 320.477 2.920 20 0 DFADRP Cn1c2ccccc2nc1CC[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000268901176 207068976 /nfs/dbraw/zinc/06/89/76/207068976.db2.gz UNBKSCSTAHHRMH-DOTOQJQBSA-N 2 0 312.461 2.532 20 0 DFADRP CCOc1cc(C[NH2+][C@@H](C)[C@@H]2CC[NH2+]C2)ccc1OC(F)F ZINC000422698390 296318163 /nfs/dbraw/zinc/31/81/63/296318163.db2.gz ZDCNLGSCMLLFEA-WCQYABFASA-N 2 0 314.376 2.774 20 0 DFADRP COc1ccc(CCC[NH2+][C@H]2CCCC[C@@H]2C[NH3+])cc1OC ZINC000422699165 296318297 /nfs/dbraw/zinc/31/82/97/296318297.db2.gz AHEXUUPDTBLVPX-CVEARBPZSA-N 2 0 306.450 2.744 20 0 DFADRP Cc1cccc2oc(CC[NH2+][C@@H]3C[C@@H](C)[N@@H+](C)C[C@H]3C)nc21 ZINC000268916851 207083441 /nfs/dbraw/zinc/08/34/41/207083441.db2.gz JEAFCGQNSAVOQN-RBSFLKMASA-N 2 0 301.434 2.997 20 0 DFADRP CCOCCCC[NH2+][C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422701125 296318364 /nfs/dbraw/zinc/31/83/64/296318364.db2.gz CTRIJSISJFYOAM-FUHWJXTLSA-N 2 0 304.434 2.649 20 0 DFADRP C[C@H](NCC(C)(C)[N@@H+]1CCc2ccccc2C1)[C@H]1CCCC[NH2+]1 ZINC000422703004 296318549 /nfs/dbraw/zinc/31/85/49/296318549.db2.gz MBKUKWORVDMOFE-QFBILLFUSA-N 2 0 315.505 2.944 20 0 DFADRP CCOCCCC[NH2+][C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422701123 296318661 /nfs/dbraw/zinc/31/86/61/296318661.db2.gz CTRIJSISJFYOAM-AEFFLSMTSA-N 2 0 304.434 2.649 20 0 DFADRP COc1ccccc1[C@H](C[NH2+][C@@H](C)CCC[NH3+])N1CCCCC1 ZINC000422706279 296319506 /nfs/dbraw/zinc/31/95/06/296319506.db2.gz DTZRZAUDISLDNN-WMZOPIPTSA-N 2 0 319.493 2.939 20 0 DFADRP CCOC(=O)C1([C@H](C)[NH2+]C[C@@H]2CCCC[C@@H]2C)CC[NH2+]CC1 ZINC000422706977 296319509 /nfs/dbraw/zinc/31/95/09/296319509.db2.gz VNDBVLPVBXLHJU-JYJNAYRXSA-N 2 0 310.482 2.724 20 0 DFADRP CCCC[N@H+](C)CCN[C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422709630 296319638 /nfs/dbraw/zinc/31/96/38/296319638.db2.gz KXPJNCXIZFLZNL-IEBWSBKVSA-N 2 0 317.477 2.564 20 0 DFADRP [NH3+]C[C@H]1CCC[C@H]1[NH2+]Cc1ccc(NC(=O)c2ccco2)cc1 ZINC000422707554 296319245 /nfs/dbraw/zinc/31/92/45/296319245.db2.gz ALEDHQYAXAQQIZ-GDBMZVCRSA-N 2 0 313.401 2.749 20 0 DFADRP C[C@H](C[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1)N1CCc2ccccc21 ZINC000422712921 296320238 /nfs/dbraw/zinc/32/02/38/296320238.db2.gz IXSWWVUTXAQXJO-XGXHKWSGSA-N 2 0 313.489 2.948 20 0 DFADRP C[C@H](C(=O)NC1CCC(C)CC1)[NH+]1CCC(CC[NH+](C)C)CC1 ZINC000056522628 184015058 /nfs/dbraw/zinc/01/50/58/184015058.db2.gz YCBFWIHSNLBXRC-UPTPFMHGSA-N 2 0 323.525 2.734 20 0 DFADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]C[C@@H](C)N1CCc2ccccc21 ZINC000422710227 296319718 /nfs/dbraw/zinc/31/97/18/296319718.db2.gz FJLXTPPUFHWKJJ-CABCVRRESA-N 2 0 324.472 2.951 20 0 DFADRP C[C@H](CN[C@H]1CC[NH2+][C@H](c2ccccc2)C1)C[NH+]1CCCC1 ZINC000422710028 296319771 /nfs/dbraw/zinc/31/97/71/296319771.db2.gz DSNSPDSXRKRWQH-NEWSRXKRSA-N 2 0 301.478 2.801 20 0 DFADRP CC(C)(C[NH2+][C@@H]1CCC[C@H]1C[NH3+])N1CCc2ccccc2C1 ZINC000422709962 296319774 /nfs/dbraw/zinc/31/97/74/296319774.db2.gz ZZWWFQKFKNOPRR-FUHWJXTLSA-N 2 0 301.478 2.540 20 0 DFADRP CC(C)(C[NH2+][C@@H]1CCOC[C@H]1[C@H]1CCC[NH2+]1)c1ccc(F)cc1 ZINC000422713563 296320084 /nfs/dbraw/zinc/32/00/84/296320084.db2.gz PXCJFDQKCHEKIG-RCCFBDPRSA-N 2 0 320.452 2.850 20 0 DFADRP COc1ccc(CC[NH2+][C@@H](Cc2ccccc2)[C@@H](C)[NH3+])cc1F ZINC000422714521 296320726 /nfs/dbraw/zinc/32/07/26/296320726.db2.gz RDVJSSWZNNMOKF-KDOFPFPSSA-N 2 0 316.420 2.925 20 0 DFADRP C[C@@H]([NH2+]CC1(O)CC[NH+](C)CC1)c1ccc2c(c1)CCCC2 ZINC000268955448 207120001 /nfs/dbraw/zinc/12/00/01/207120001.db2.gz DIRGUNFOXOZEAB-OAHLLOKOSA-N 2 0 302.462 2.673 20 0 DFADRP COC[C@@H](CCC[NH3+])[NH2+]CCc1cc(Cl)cc(Cl)c1 ZINC000422718195 296320820 /nfs/dbraw/zinc/32/08/20/296320820.db2.gz PHRAKVPGUWKUCO-CQSZACIVSA-N 2 0 305.249 2.879 20 0 DFADRP CCC(CC)C(=O)N1CCC([NH2+][C@@H](CC)[C@H]2CCCC[NH2+]2)CC1 ZINC000422723527 296321804 /nfs/dbraw/zinc/32/18/04/296321804.db2.gz RRYSJUPAIKZZGB-ZWKOTPCHSA-N 2 0 323.525 2.924 20 0 DFADRP Cc1cc(C[NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)ncc1Br ZINC000623560368 399416576 /nfs/dbraw/zinc/41/65/76/399416576.db2.gz CQEQJKOSINNGCC-BJHJDKERSA-N 2 0 312.255 2.582 20 0 DFADRP C/C(=C/c1ccccc1)C[NH2+][C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000602277245 399417998 /nfs/dbraw/zinc/41/79/98/399417998.db2.gz GZYCRFJZRMVDEL-FCUDFIOSSA-N 2 0 313.489 2.848 20 0 DFADRP C[N@@H+]1C[C@@H](CN[C@@H]2CC[NH+](C)C(C)(C)C2)[C@H](c2ccccc2)C1 ZINC000623557584 399415609 /nfs/dbraw/zinc/41/56/09/399415609.db2.gz BFURHOLEIOMOJK-QRVBRYPASA-N 2 0 315.505 2.794 20 0 DFADRP CC(C)(C)[C@H](C[N@@H+]1CCc2ccccc2C1)NC1CC[NH2+]CC1 ZINC000422725521 296322259 /nfs/dbraw/zinc/32/22/59/296322259.db2.gz BOYIFOLBBMXPDC-IBGZPJMESA-N 2 0 315.505 2.801 20 0 DFADRP CC(C)COc1ccc([C@@H](C)[NH2+]CC2(O)CC[NH+](C)CC2)cc1 ZINC000268990098 207147326 /nfs/dbraw/zinc/14/73/26/207147326.db2.gz MGYJOQVMPBKECP-MRXNPFEDSA-N 2 0 320.477 2.829 20 0 DFADRP COc1ccc(C[NH2+][C@H](C)c2ccc(C[NH3+])nc2C)cc1OC ZINC000422729031 296322729 /nfs/dbraw/zinc/32/27/29/296322729.db2.gz HFHMYQYMHDDWKX-GFCCVEGCSA-N 2 0 315.417 2.717 20 0 DFADRP CS[C@@H]1CCCC[N@H+](C[C@H](O)CN(C)Cc2ccccc2)C1 ZINC000610990457 399425202 /nfs/dbraw/zinc/42/52/02/399425202.db2.gz PBFUELYTWCWPPF-QZTJIDSGSA-N 2 0 322.518 2.697 20 0 DFADRP [NH3+]C[C@@H]1CCC[C@H]1[NH2+]Cc1cc(F)cc(Br)c1 ZINC000422730482 296323105 /nfs/dbraw/zinc/32/31/05/296323105.db2.gz JTUQXFGMSGABTE-GXFFZTMASA-N 2 0 301.203 2.805 20 0 DFADRP C[NH+]1CCC(O)(C[NH2+][C@H]2CCCC[C@H]2c2ccccc2)CC1 ZINC000269003507 207157319 /nfs/dbraw/zinc/15/73/19/207157319.db2.gz PWOALCGTZUHLDT-ROUUACIJSA-N 2 0 302.462 2.759 20 0 DFADRP C[C@@H]([NH3+])CN1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000058268126 184097916 /nfs/dbraw/zinc/09/79/16/184097916.db2.gz USKZRJQBMYBCRH-QGZVFWFLSA-N 2 0 309.457 2.741 20 0 DFADRP C[C@@H](CC[NH+](C)C)[NH2+][C@@H](C)c1ccc(OCC[NH+](C)C)cc1 ZINC000269012516 207164725 /nfs/dbraw/zinc/16/47/25/207164725.db2.gz NTUHRLLWBFDWLS-HOTGVXAUSA-N 3 0 307.482 2.618 20 0 DFADRP COCCOc1ccc([C@@H](C)[NH2+]CCCC[NH+](C)C)cc1OC ZINC000269029089 207176642 /nfs/dbraw/zinc/17/66/42/207176642.db2.gz RFKXOGXNNUBXOJ-OAHLLOKOSA-N 2 0 324.465 2.713 20 0 DFADRP C[C@H]([NH2+][C@H]1CCCC[C@@H]1CO)c1cccc(OCC[NH+](C)C)c1 ZINC000269048582 207198130 /nfs/dbraw/zinc/19/81/30/207198130.db2.gz WZZZZGYVGIAZLK-WDYCEAGBSA-N 2 0 320.477 2.829 20 0 DFADRP COc1cc(C)c(C[NH2+]C[C@H]2CCCC[N@H+](C)C2)cc1OC ZINC000623656060 399437097 /nfs/dbraw/zinc/43/70/97/399437097.db2.gz MAHBPNFRVYHDEI-OAHLLOKOSA-N 2 0 306.450 2.834 20 0 DFADRP CC(C)n1nccc1[C@@H]1OCC[C@H]1[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000623733397 399453224 /nfs/dbraw/zinc/45/32/24/399453224.db2.gz LDFCBJQUYJOXDY-LISAXSMJSA-N 2 0 318.465 2.510 20 0 DFADRP CN(C)c1ncc(C[NH2+]Cc2ccnc(-c3ccccc3)c2)n1C ZINC000623784784 399465616 /nfs/dbraw/zinc/46/56/16/399465616.db2.gz KFSJFRTYXQNXFX-UHFFFAOYSA-N 2 0 321.428 2.838 20 0 DFADRP COc1ccc([C@H](NC[C@H](C)[N@H+](C)C2CC2)[C@@H]2CCC[NH2+]2)cc1 ZINC000422732686 296323554 /nfs/dbraw/zinc/32/35/54/296323554.db2.gz AGZUIQWGJOUJIN-JVPBZIDWSA-N 2 0 317.477 2.561 20 0 DFADRP Cc1ncc(C[NH2+][C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)s1 ZINC000422740409 296324403 /nfs/dbraw/zinc/32/44/03/296324403.db2.gz MSYIIKLMHRUCQT-RDJZCZTQSA-N 2 0 315.442 2.797 20 0 DFADRP C[C@@H]([NH2+][C@@H](C)CCc1ccc(Br)cc1)C1C[NH2+]C1 ZINC000422739528 296324448 /nfs/dbraw/zinc/32/44/48/296324448.db2.gz LQSLUGSIGNJKPT-NWDGAFQWSA-N 2 0 311.267 2.968 20 0 DFADRP CC[N@H+](Cc1ccc(C(=O)N2CC[C@H]([NH3+])[C@@H](C)C2)cc1)C(C)C ZINC000269212777 207332320 /nfs/dbraw/zinc/33/23/20/207332320.db2.gz OLIVTSSQNWVRHF-YJBOKZPZSA-N 2 0 317.477 2.726 20 0 DFADRP Cc1[nH]c2c(cc(C)cc2C[NH2+][C@@H]2CCOC[C@H]2[C@H](C)[NH3+])c1C ZINC000422736185 296323883 /nfs/dbraw/zinc/32/38/83/296323883.db2.gz FTAWEBAGHNEOFJ-DOPJRALCSA-N 2 0 315.461 2.935 20 0 DFADRP C[C@H]([NH2+]Cc1cccc(C[NH+]2CCC(C)CC2)c1)C1C[NH2+]C1 ZINC000422737870 296324147 /nfs/dbraw/zinc/32/41/47/296324147.db2.gz IRVRHALBNNGKGC-INIZCTEOSA-N 3 0 301.478 2.616 20 0 DFADRP [NH3+][C@@H]1CCCCC[C@H]1NC[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000422738251 296324199 /nfs/dbraw/zinc/32/41/99/296324199.db2.gz JHQXRVVPMJVKCY-IPMKNSEASA-N 2 0 301.478 2.901 20 0 DFADRP CN(C)C(=O)[C@@H]1CCC[C@H]([NH2+][C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)C1 ZINC000422737447 296324215 /nfs/dbraw/zinc/32/42/15/296324215.db2.gz IGMJSXCYDMCAMP-CWQOZTLDSA-N 2 0 321.509 2.534 20 0 DFADRP C[C@H](c1ccccc1)[NH+]1CCC(N[C@@H]2CCC[C@@H]2C[NH3+])CC1 ZINC000422745766 296325198 /nfs/dbraw/zinc/32/51/98/296325198.db2.gz MUXNZJWGTGYJRS-SZVBFZGTSA-N 2 0 301.478 2.929 20 0 DFADRP C[C@H]([NH2+][C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)c1ccccn1 ZINC000422745744 296325215 /nfs/dbraw/zinc/32/52/15/296325215.db2.gz MTNNLWOXBTWRFY-POZUXBRTSA-N 2 0 309.413 2.988 20 0 DFADRP C[C@@H](NC1CC[NH+]([C@H](C)c2ccccc2)CC1)[C@H]1CCC[NH2+]1 ZINC000422740926 296324535 /nfs/dbraw/zinc/32/45/35/296324535.db2.gz COMRGTMJROEHHE-GPMSIDNRSA-N 2 0 301.478 2.942 20 0 DFADRP C[C@@H](NC1CC[NH+]([C@@H](C)c2ccccc2)CC1)[C@@H]1CCC[NH2+]1 ZINC000422740925 296324603 /nfs/dbraw/zinc/32/46/03/296324603.db2.gz COMRGTMJROEHHE-GJYPPUQNSA-N 2 0 301.478 2.942 20 0 DFADRP COc1ccccc1[C@H](CN[C@H]1CCC[NH2+]CC1)[NH+]1CCCC1 ZINC000422748640 296325666 /nfs/dbraw/zinc/32/56/66/296325666.db2.gz VMAIWVSRSYHCTR-WMZOPIPTSA-N 2 0 317.477 2.564 20 0 DFADRP CCC[NH+]1CCC(C[NH2+][C@H](C)c2ccc(C[NH3+])nc2C)CC1 ZINC000422746998 296325873 /nfs/dbraw/zinc/32/58/73/296325873.db2.gz XUZNQCOKSCDCBE-CQSZACIVSA-N 3 0 304.482 2.621 20 0 DFADRP O=C(Nc1ccc(CC[NH+]2CCCCC2)cc1)[C@@H]1CCCC[NH2+]1 ZINC000269231792 207356617 /nfs/dbraw/zinc/35/66/17/207356617.db2.gz DEODWGSVRMMTOU-SFHVURJKSA-N 2 0 315.461 2.796 20 0 DFADRP COc1ccccc1[C@H](C[NH2+][C@H](C)CCC[NH3+])N1CCCC1 ZINC000422749110 296326179 /nfs/dbraw/zinc/32/61/79/296326179.db2.gz XPFVOUJPHXVGHM-WBVHZDCISA-N 2 0 305.466 2.549 20 0 DFADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+][C@H]1CCCN(c2cccc(F)c2)C1 ZINC000422750571 296326207 /nfs/dbraw/zinc/32/62/07/296326207.db2.gz AAYXPSMRCALANW-HFTRVMKXSA-N 2 0 305.441 2.772 20 0 DFADRP CCOC(=O)C1([C@H](C)[NH2+]C[C@H]2CCC[C@@H](C)C2)CC[NH2+]CC1 ZINC000422750926 296326491 /nfs/dbraw/zinc/32/64/91/296326491.db2.gz AQHXCNSEQVFCIW-PMPSAXMXSA-N 2 0 310.482 2.724 20 0 DFADRP Cc1cc(F)ccc1N1CCC[C@H]([NH2+][C@H](C)[C@H]2CC[NH2+]C2)C1 ZINC000422754939 296327290 /nfs/dbraw/zinc/32/72/90/296327290.db2.gz GJQSDQOAJLPYEV-VYDXJSESSA-N 2 0 305.441 2.691 20 0 DFADRP C[C@@H](C[C@H]1CCCCC[NH2+]1)[NH2+]CCCN1CCCCCC1=O ZINC000422760006 296327981 /nfs/dbraw/zinc/32/79/81/296327981.db2.gz PTMMGVLINWENCD-DLBZAZTESA-N 2 0 309.498 2.680 20 0 DFADRP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]CCN1c2ccccc2C[C@H]1C ZINC000422760372 296328196 /nfs/dbraw/zinc/32/81/96/296328196.db2.gz KYTIDIXFAVNLKM-FUHIMQAGSA-N 2 0 323.484 2.986 20 0 DFADRP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+]C[C@H](CO)Cc1ccccc1 ZINC000422757073 296327735 /nfs/dbraw/zinc/32/77/35/296327735.db2.gz JIFAPZLNHPQODS-BHIYHBOVSA-N 2 0 304.478 2.738 20 0 DFADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]C[C@H](CO)Cc1ccc(F)cc1 ZINC000422762124 296328916 /nfs/dbraw/zinc/32/89/16/296328916.db2.gz NNVSQDFJQAXDRA-SUMDDJOVSA-N 2 0 322.468 2.877 20 0 DFADRP COc1ccc([C@H](C[NH2+][C@@H](C)C[C@H](C)[NH3+])N2CCCC2)cc1 ZINC000422764195 296329137 /nfs/dbraw/zinc/32/91/37/296329137.db2.gz UWFDYSJMYDWVRX-MPGHIAIKSA-N 2 0 305.466 2.548 20 0 DFADRP COc1ccc(OC)c(CC[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)c1 ZINC000422768888 296329921 /nfs/dbraw/zinc/32/99/21/296329921.db2.gz VBDHPQOKTOWRMK-RCCFBDPRSA-N 2 0 318.461 2.757 20 0 DFADRP COc1ccc(OC)c(CC[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)c1 ZINC000422768885 296329951 /nfs/dbraw/zinc/32/99/51/296329951.db2.gz VBDHPQOKTOWRMK-KSZLIROESA-N 2 0 318.461 2.757 20 0 DFADRP COc1ccc([C@H](C[NH2+][C@@H](C)C[C@@H](C)[NH3+])N2CCCCC2)cc1 ZINC000422769177 296330028 /nfs/dbraw/zinc/33/00/28/296330028.db2.gz UTEZNCGNAQIHTL-GJYPPUQNSA-N 2 0 319.493 2.938 20 0 DFADRP OC[C@H](C[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1)Cc1ccccc1 ZINC000422771648 296330239 /nfs/dbraw/zinc/33/02/39/296330239.db2.gz XPIZXRXQIRKQDZ-LWYYNNOASA-N 2 0 316.489 2.738 20 0 DFADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]C[C@H](c1cccs1)N(C)C ZINC000422769931 296330359 /nfs/dbraw/zinc/33/03/59/296330359.db2.gz VPHKPYWBPKDQQS-BLLLJJGKSA-N 2 0 318.490 2.864 20 0 DFADRP COc1ccc([C@@H](C)[NH2+][C@H](C)C2C[NH2+]C2)cc1Br ZINC000422781748 296331925 /nfs/dbraw/zinc/33/19/25/296331925.db2.gz JCZNFLBDPUGGKI-NXEZZACHSA-N 2 0 313.239 2.716 20 0 DFADRP Cc1nccn1CCCC[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1 ZINC000422778410 296331373 /nfs/dbraw/zinc/33/13/73/296331373.db2.gz HKLICRUAPYSASD-KZNAEPCWSA-N 2 0 304.482 2.872 20 0 DFADRP COc1ccc(C[NH+]2CCC(C[NH2+][C@H](C)C[C@H](C)[NH3+])CC2)cc1 ZINC000422780481 296331993 /nfs/dbraw/zinc/33/19/93/296331993.db2.gz KDDZAPVIDUJVTJ-JKSUJKDBSA-N 3 0 319.493 2.623 20 0 DFADRP COc1ccc(C[NH+]2CCC(C[NH2+][C@H](C)C[C@@H](C)[NH3+])CC2)cc1 ZINC000422780480 296332072 /nfs/dbraw/zinc/33/20/72/296332072.db2.gz KDDZAPVIDUJVTJ-HZPDHXFCSA-N 3 0 319.493 2.623 20 0 DFADRP c1ccc2c(c1)O[C@@]1(CC[NH2+]C1)C[C@H]2[NH2+]CCCOCC1CC1 ZINC000422782706 296332242 /nfs/dbraw/zinc/33/22/42/296332242.db2.gz KCAAZOJPPWXJEG-MJGOQNOKSA-N 2 0 316.445 2.649 20 0 DFADRP COc1ccc([C@H](NCCC[NH+]2CCCC2)[C@@H]2CCC[NH2+]2)cc1 ZINC000422788794 296332849 /nfs/dbraw/zinc/33/28/49/296332849.db2.gz RNGSCCKTYRNYNL-OALUTQOASA-N 2 0 317.477 2.564 20 0 DFADRP C[C@@H](CCCC[NH3+])[NH2+]CCc1ccn(-c2ccc(F)cc2)n1 ZINC000422789346 296332965 /nfs/dbraw/zinc/33/29/65/296332965.db2.gz OEPRCVSZAUNVIF-AWEZNQCLSA-N 2 0 304.413 2.661 20 0 DFADRP C[C@H]([NH2+]Cc1ccccc1C[NH+]1CCCCC1)[C@@H]1CC[NH2+]C1 ZINC000422788413 296332997 /nfs/dbraw/zinc/33/29/97/296332997.db2.gz NKBRBBDWKJHRAF-DLBZAZTESA-N 3 0 301.478 2.760 20 0 DFADRP CC(C)C(=O)Nc1ccc(C[NH2+][C@@H]2CC[NH2+]CC[C@@H]2C)cc1 ZINC000422788388 296333059 /nfs/dbraw/zinc/33/30/59/296333059.db2.gz AMHPYAJFTCGMGQ-WMLDXEAASA-N 2 0 303.450 2.759 20 0 DFADRP C[C@@H](C[C@H]1CCCCC[NH2+]1)[NH2+]CCCOCC1CCOCC1 ZINC000422791935 296333619 /nfs/dbraw/zinc/33/36/19/296333619.db2.gz WPAZGGHBLMOOMO-FUHWJXTLSA-N 2 0 312.498 2.720 20 0 DFADRP [NH3+][C@H]1CCCCC[C@H]1[NH2+]CCc1ccn(-c2ccc(F)cc2)n1 ZINC000422796636 296334348 /nfs/dbraw/zinc/33/43/48/296334348.db2.gz YTNYZBZFWNKBIC-ZWKOTPCHSA-N 2 0 316.424 2.804 20 0 DFADRP COc1ccc2cc(C[NH2+][C@@H]3CCOC[C@H]3[C@H](C)[NH3+])ccc2c1 ZINC000422797759 296334914 /nfs/dbraw/zinc/33/49/14/296334914.db2.gz OJQAQAMLLWMSMM-FASAQXTFSA-N 2 0 314.429 2.690 20 0 DFADRP C[C@H]([NH3+])[C@H]1COCC[C@@H]1[NH2+]Cc1ccc(C(F)(F)F)cc1 ZINC000422797251 296334940 /nfs/dbraw/zinc/33/49/40/296334940.db2.gz LRWOZHABEDEBOU-GDLCADMTSA-N 2 0 302.340 2.547 20 0 DFADRP COc1ccc2cc(C[NH2+][C@@H]3CCOC[C@H]3[C@@H](C)[NH3+])ccc2c1 ZINC000422797762 296334982 /nfs/dbraw/zinc/33/49/82/296334982.db2.gz OJQAQAMLLWMSMM-ZNZDAUKMSA-N 2 0 314.429 2.690 20 0 DFADRP [NH3+][C@@H]1CCC[C@@H]1[NH2+]CC1(c2ccc3c(c2)OCCO3)CCCC1 ZINC000422800030 296335225 /nfs/dbraw/zinc/33/52/25/296335225.db2.gz ZDZREKCNCJTOCU-CVEARBPZSA-N 2 0 316.445 2.739 20 0 DFADRP CC[C@@H](CN[C@H](C)[C@H]1CCC[NH2+]1)[N@@H+]1CCc2ccccc2C1 ZINC000422801465 296335668 /nfs/dbraw/zinc/33/56/68/296335668.db2.gz BZKJSABIYSSHRS-AYOQOUSVSA-N 2 0 301.478 2.553 20 0 DFADRP COc1ccc(C[NH2+][C@@H]2CC[NH2+]CC[C@@H]2C)cc1OC(F)F ZINC000422803609 296335895 /nfs/dbraw/zinc/33/58/95/296335895.db2.gz CZRQANBHQIVUAY-WCQYABFASA-N 2 0 314.376 2.774 20 0 DFADRP c1ccc2c(c1)CCN(CC[NH2+][C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1)C2 ZINC000422802912 296335923 /nfs/dbraw/zinc/33/59/23/296335923.db2.gz HWWYUDYHIITIGX-VAMGGRTRSA-N 2 0 313.489 2.555 20 0 DFADRP COC[C@H](CCC[NH3+])[NH2+][C@H]1CCCO[C@@H]1c1ccc(C)cc1 ZINC000422803057 296335952 /nfs/dbraw/zinc/33/59/52/296335952.db2.gz CIEWWGLBFGWAMP-OKZBNKHCSA-N 2 0 306.450 2.559 20 0 DFADRP c1ccc([C@H]2C[C@H](NCC[NH+]3CCCCCC3)CC[NH2+]2)cc1 ZINC000422805530 296336095 /nfs/dbraw/zinc/33/60/95/296336095.db2.gz JHWXBTQOQUXGDD-RTBURBONSA-N 2 0 301.478 2.945 20 0 DFADRP CC[C@H](NCCC[N@@H+]1CCc2ccccc2C1)[C@@H]1CCC[NH2+]1 ZINC000422804611 296336109 /nfs/dbraw/zinc/33/61/09/296336109.db2.gz HTHJFFILEWENJB-OALUTQOASA-N 2 0 301.478 2.555 20 0 DFADRP C[C@@H]([NH2+]Cc1ccc(C[NH+]2CCC(C)CC2)cc1)C1C[NH2+]C1 ZINC000422810990 296337151 /nfs/dbraw/zinc/33/71/51/296337151.db2.gz VCWKRXCNWNXUBQ-MRXNPFEDSA-N 3 0 301.478 2.616 20 0 DFADRP C[NH+](C)Cc1cccc(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)c1 ZINC000422811094 296337156 /nfs/dbraw/zinc/33/71/56/296337156.db2.gz TZLNCYDFXTYYJU-GBESFXJTSA-N 3 0 301.478 2.759 20 0 DFADRP CCN(CC)C(=O)c1ccc(C[NH2+][C@@H]2CCCC[C@@H]2C[NH3+])cc1 ZINC000422807270 296336624 /nfs/dbraw/zinc/33/66/24/296336624.db2.gz JPPFGFSDERBZOM-QZTJIDSGSA-N 2 0 317.477 2.776 20 0 DFADRP CO[C@H](C[NH2+][C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)C(C)(C)C ZINC000422807233 296336751 /nfs/dbraw/zinc/33/67/51/296336751.db2.gz JLJIHXIXEYSQJQ-SZVBFZGTSA-N 2 0 318.461 2.893 20 0 DFADRP CN(C)[C@H](C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1)c1ccsc1 ZINC000422813279 296337878 /nfs/dbraw/zinc/33/78/78/296337878.db2.gz ZFFNXXABUZONDU-YYIAUSFCSA-N 2 0 307.507 2.861 20 0 DFADRP C[C@@H](NCc1cccc(C[NH+]2CCCC2)c1)c1c[nH+]ccc1N ZINC000422810650 296337362 /nfs/dbraw/zinc/33/73/62/296337362.db2.gz SAYQVCUFYGEHPL-OAHLLOKOSA-N 2 0 310.445 2.941 20 0 DFADRP COc1ccc([C@@H]([NH2+][C@@H](C)CCCC[NH3+])c2nccn2C)cc1 ZINC000422812180 296337562 /nfs/dbraw/zinc/33/75/62/296337562.db2.gz QDKHCPNURXIUJB-WMLDXEAASA-N 2 0 316.449 2.625 20 0 DFADRP CC[C@@H](CNC1C[C@H]2CC[C@@H](C1)[NH2+]2)[N@@H+]1CCc2ccccc2C1 ZINC000422812229 296337608 /nfs/dbraw/zinc/33/76/08/296337608.db2.gz VWYKOTLKZNRWRK-XNMUZJSGSA-N 2 0 313.489 2.696 20 0 DFADRP C[NH+](C)[C@]1(CN[C@H]2CC[NH2+][C@@H](c3ccccc3)C2)CCSC1 ZINC000422817832 296338804 /nfs/dbraw/zinc/33/88/04/296338804.db2.gz DXDIPCFKYYKWSU-KSZLIROESA-N 2 0 319.518 2.507 20 0 DFADRP C[C@H](CCN[C@@H]1CC[NH2+]CC[C@H]1C)[N@H+](C)Cc1ccccc1 ZINC000422818515 296339117 /nfs/dbraw/zinc/33/91/17/296339117.db2.gz GOMMXGSQLLFNDW-ZHALLVOQSA-N 2 0 303.494 2.875 20 0 DFADRP CC(C)C[NH+]1CCC(N[C@H](Cc2ccccc2)[C@H](C)[NH3+])CC1 ZINC000422821169 296339311 /nfs/dbraw/zinc/33/93/11/296339311.db2.gz USASMBVFGFPMEN-QFBILLFUSA-N 2 0 303.494 2.655 20 0 DFADRP C[NH+](C)CCOCC[NH2+][C@@H]1CCc2cc(F)c(Cl)cc21 ZINC000623967539 399507474 /nfs/dbraw/zinc/50/74/74/399507474.db2.gz AOTAGAIVUZGGAN-OAHLLOKOSA-N 2 0 300.805 2.634 20 0 DFADRP CCC[N@H+](CC)CCN[C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422823573 296339640 /nfs/dbraw/zinc/33/96/40/296339640.db2.gz LUAMPNVPYLCLBX-IEBWSBKVSA-N 2 0 317.477 2.564 20 0 DFADRP CC[C@H](c1ccc(Cl)cc1)[N@@H+]1CC[C@@H](n2cc(C[NH3+])nn2)C1 ZINC000631846262 399507719 /nfs/dbraw/zinc/50/77/19/399507719.db2.gz XDALDECUCXIOJU-HZPDHXFCSA-N 2 0 319.840 2.788 20 0 DFADRP COC[C@@H](Cc1ccccc1)[NH2+][C@H](C)c1ccc(C[NH3+])nc1C ZINC000422826002 296339942 /nfs/dbraw/zinc/33/99/42/296339942.db2.gz QLOCWLDVSUBHBG-CRAIPNDOSA-N 2 0 313.445 2.757 20 0 DFADRP C[C@@H](Nc1cc(N2CCCCC2)ncn1)C1CC[NH+](C)CC1 ZINC000623968992 399507295 /nfs/dbraw/zinc/50/72/95/399507295.db2.gz SHPSHOYZQBXKCW-CQSZACIVSA-N 2 0 303.454 2.609 20 0 DFADRP Cc1cc(C)c([C@H](C)[N@@H+]2CC[C@@H](n3cc(C[NH3+])nn3)C2)c(C)c1 ZINC000631846367 399507853 /nfs/dbraw/zinc/50/78/53/399507853.db2.gz XYULIFWSZZVCJM-DOTOQJQBSA-N 2 0 313.449 2.670 20 0 DFADRP Cc1ccc([C@H](CN[C@@H]2CCC[NH2+]CC2)[NH+]2CCCC2)cc1 ZINC000422830978 296340958 /nfs/dbraw/zinc/34/09/58/296340958.db2.gz RUXCUCLJTHGZJJ-MOPGFXCFSA-N 2 0 301.478 2.864 20 0 DFADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+][C@@H]1CCCN(Cc2ccccc2)C1 ZINC000422830474 296340984 /nfs/dbraw/zinc/34/09/84/296340984.db2.gz IGHJSQKYEALYDC-QRQLOZEOSA-N 2 0 301.478 2.629 20 0 DFADRP c1c(CC[NH2+][C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)nc2n1CCCC2 ZINC000422830089 296341222 /nfs/dbraw/zinc/34/12/22/296341222.db2.gz HYVOJRSGMIEDDD-RCCFBDPRSA-N 2 0 316.493 2.662 20 0 DFADRP CC[NH+](CC)[C@H](CN[C@@H]1CCC[C@@H]1C[NH3+])Cc1ccccc1 ZINC000422828279 296340292 /nfs/dbraw/zinc/34/02/92/296340292.db2.gz FUHNBMQRNSDHFE-CEXWTWQISA-N 2 0 303.494 2.657 20 0 DFADRP C[C@@H](N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C)[C@H]1CCC[NH2+]1 ZINC000422828393 296340479 /nfs/dbraw/zinc/34/04/79/296340479.db2.gz APYVSWHYAPMFDO-PSBWJHGTSA-N 2 0 301.478 2.627 20 0 DFADRP CC[NH+](CC)[C@H](CN[C@H]1C[NH2+]CC[C@@H]1C)Cc1ccccc1 ZINC000422829493 296340613 /nfs/dbraw/zinc/34/06/13/296340613.db2.gz HPBRERQHLPYHJT-WDSOQIARSA-N 2 0 303.494 2.527 20 0 DFADRP CC[NH+](CC)[C@H](CNC1C[C@H]2CC[C@@H](C1)[NH2+]2)Cc1ccccc1 ZINC000422831909 296341446 /nfs/dbraw/zinc/34/14/46/296341446.db2.gz KDAVSUHUGMNDLI-XNMUZJSGSA-N 2 0 315.505 2.812 20 0 DFADRP CCO[C@H](CC[NH2+][C@@H]1CCOC[C@H]1[C@@H]1CCC[NH2+]1)C1CCCC1 ZINC000422833487 296341533 /nfs/dbraw/zinc/34/15/33/296341533.db2.gz YUGCBFAMNOVVHZ-INDMIFKZSA-N 2 0 324.509 2.719 20 0 DFADRP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]C[C@H]1CCCN(Cc2cccs2)C1 ZINC000422836180 296342100 /nfs/dbraw/zinc/34/21/00/296342100.db2.gz JKXVQIVCBTXOCT-VYDXJSESSA-N 2 0 307.507 2.677 20 0 DFADRP C[C@H]([NH2+]C[C@H]1CCCN(Cc2cccs2)C1)[C@@H]1CC[NH2+]C1 ZINC000422841263 296342733 /nfs/dbraw/zinc/34/27/33/296342733.db2.gz VLGDPXXIHVDXCT-ARFHVFGLSA-N 2 0 307.507 2.548 20 0 DFADRP Clc1cccc(N2CC[C@@H]([NH2+]C3C[C@H]4CC[C@@H](C3)[NH2+]4)C2)c1 ZINC000422842102 296342963 /nfs/dbraw/zinc/34/29/63/296342963.db2.gz XQLCVYXXCCUZPM-IUOOZAAYSA-N 2 0 305.853 2.791 20 0 DFADRP Clc1cccc([C@H](CNC2CC[NH2+]CC2)[NH+]2CCCC2)c1 ZINC000422848486 296344274 /nfs/dbraw/zinc/34/42/74/296344274.db2.gz UBESAROQGBRATC-KRWDZBQOSA-N 2 0 307.869 2.819 20 0 DFADRP COc1cc2[nH]c(CCC[NH2+][C@@H]3CCC[C@@H]3[NH3+])cc2c(OC)c1 ZINC000422849776 296344624 /nfs/dbraw/zinc/34/46/24/296344624.db2.gz COGZFNOQVFBINM-JKSUJKDBSA-N 2 0 317.433 2.587 20 0 DFADRP CCOCCOCc1cccc(C[NH2+]C2CCC([NH3+])CC2)c1 ZINC000422853166 296345319 /nfs/dbraw/zinc/34/53/19/296345319.db2.gz BOKXKDLLFQJGCV-UHFFFAOYSA-N 2 0 306.450 2.599 20 0 DFADRP C1CCC([N@@H+]2CC[C@H](N[C@H]3CCC[C@H]3[C@H]3CCCC[NH2+]3)C2)C1 ZINC000422855923 296345695 /nfs/dbraw/zinc/34/56/95/296345695.db2.gz DHPAROQDZIMKEZ-KANFNMMFSA-N 2 0 305.510 2.904 20 0 DFADRP Cc1cc(C)n(-c2ccc(CC[NH2+][C@@H](C)C[C@@H](C)[NH3+])cc2)n1 ZINC000422861647 296346323 /nfs/dbraw/zinc/34/63/23/296346323.db2.gz MUIIMJUJUJDGSB-KGLIPLIRSA-N 2 0 300.450 2.747 20 0 DFADRP CCOC(=O)C1([C@@H](C)[NH2+]Cc2ccc(CC)s2)CC[NH2+]CC1 ZINC000422870844 296348067 /nfs/dbraw/zinc/34/80/67/296348067.db2.gz ZIGQYYTWVYQWBH-CYBMUJFWSA-N 2 0 324.490 2.722 20 0 DFADRP CSc1cc(C)ccc1C[NH2+][C@@H]1CCOC[C@H]1[C@H]1CCC[NH2+]1 ZINC000422872616 296348088 /nfs/dbraw/zinc/34/80/88/296348088.db2.gz HWPWZFVEQSFNFJ-GVDBMIGSSA-N 2 0 320.502 2.964 20 0 DFADRP Clc1ccccc1C[NH+]1CCC(C[NH2+]C2CC[NH2+]CC2)CC1 ZINC000422874562 296348242 /nfs/dbraw/zinc/34/82/42/296348242.db2.gz AKIWRTLGWDVQCR-UHFFFAOYSA-N 3 0 321.896 2.894 20 0 DFADRP COc1cc2[nH]c(CCC[NH2+][C@H](C)C[C@H](C)[NH3+])cc2c(OC)c1 ZINC000422866777 296347145 /nfs/dbraw/zinc/34/71/45/296347145.db2.gz RBNYMFHVSQXQHE-QWHCGFSZSA-N 2 0 319.449 2.833 20 0 DFADRP COC[C@@H](CCC[NH3+])[NH2+][C@H](C)c1ccc(-n2ccnc2C)cc1 ZINC000422867043 296347179 /nfs/dbraw/zinc/34/71/79/296347179.db2.gz RMCZKUHTADMORI-RHSMWYFYSA-N 2 0 316.449 2.585 20 0 DFADRP COCCCOc1cc(C)ccc1C[NH2+][C@H]1CCC[C@@H]1C[NH3+] ZINC000422869064 296347326 /nfs/dbraw/zinc/34/73/26/296347326.db2.gz WAGMDUNNIADWLJ-WBVHZDCISA-N 2 0 306.450 2.627 20 0 DFADRP CC1CC[NH+](CCN[C@H]2CC[NH2+][C@@H](c3ccccc3)C2)CC1 ZINC000422868963 296347393 /nfs/dbraw/zinc/34/73/93/296347393.db2.gz WJTGOGLVVZDRMO-RBUKOAKNSA-N 2 0 301.478 2.801 20 0 DFADRP C[C@@H]([NH2+][C@@H]1CCC[NH2+]CC1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000422877731 296349140 /nfs/dbraw/zinc/34/91/40/296349140.db2.gz IEAVMFBYYOAKDJ-UKRRQHHQSA-N 2 0 316.449 2.763 20 0 DFADRP Cc1ccc([C@H](C[NH2+][C@H]2CCCC[C@@H]2C[NH3+])N2CCCC2)o1 ZINC000422876986 296349171 /nfs/dbraw/zinc/34/91/71/296349171.db2.gz HCUIVISAZFEWIJ-IKGGRYGDSA-N 2 0 305.466 2.832 20 0 DFADRP Cc1nc(C[NH3+])ccc1[C@H](C)N[C@H](C)C[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000422874537 296348403 /nfs/dbraw/zinc/34/84/03/296348403.db2.gz AIBAONOFTUJNFB-JONQDZQNSA-N 2 0 318.509 2.866 20 0 DFADRP Cc1ccc(C[NH2+][C@@H]2CCOC[C@H]2[C@H](C)[NH3+])c(OC(C)C)c1 ZINC000422874328 296348415 /nfs/dbraw/zinc/34/84/15/296348415.db2.gz NKBZDFHYSZSZIJ-BHYGNILZSA-N 2 0 306.450 2.624 20 0 DFADRP CC[N@H+](CCN[C@@H](c1ccc(OC)cc1)[C@H]1CCC[NH2+]1)C1CC1 ZINC000422874768 296348672 /nfs/dbraw/zinc/34/86/72/296348672.db2.gz BBGCMODYNUBBAU-MOPGFXCFSA-N 2 0 317.477 2.562 20 0 DFADRP C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccc(CN[C@@H]3CC[NH2+]C3)cc2)C1 ZINC000422874917 296348675 /nfs/dbraw/zinc/34/86/75/296348675.db2.gz DPLJBQPGPIFJFI-JTDSTZFVSA-N 2 0 301.478 2.616 20 0 DFADRP COC1CC([NH2+]C2[C@@H](C)C[NH+](Cc3ccccc3)C[C@@H]2C)C1 ZINC000347391152 285027953 /nfs/dbraw/zinc/02/79/53/285027953.db2.gz NZXULYKMAFAJSQ-QEFXCSQDSA-N 2 0 302.462 2.910 20 0 DFADRP C[C@@H]1C[C@@H](C)C[NH+](Cc2ccc(CN[C@@H]3CC[NH2+]C3)cc2)C1 ZINC000422874916 296348829 /nfs/dbraw/zinc/34/88/29/296348829.db2.gz DPLJBQPGPIFJFI-GPMSIDNRSA-N 2 0 301.478 2.616 20 0 DFADRP C[C@H]1C[C@@H]([NH2+]C2CCC(C[NH3+])CC2)CN1Cc1ccccc1 ZINC000422875571 296348875 /nfs/dbraw/zinc/34/88/75/296348875.db2.gz PFHMUQSJUFQADX-NHFHULPWSA-N 2 0 301.478 2.757 20 0 DFADRP COC1CC[NH+](C2(CN[C@@H](C)[C@H]3CCCC[NH2+]3)CCCC2)CC1 ZINC000422882403 296349904 /nfs/dbraw/zinc/34/99/04/296349904.db2.gz AQFMRQIUBBYJKQ-FUHWJXTLSA-N 2 0 323.525 2.530 20 0 DFADRP CC[C@@H](NC[C@H](c1ccc(C)o1)[NH+]1CCCC1)[C@@H]1CCC[NH2+]1 ZINC000422885624 296350556 /nfs/dbraw/zinc/35/05/56/296350556.db2.gz YZVROJXJYLOCBE-IXDOHACOSA-N 2 0 305.466 2.845 20 0 DFADRP COc1ccc(OC(F)F)c(C[NH2+][C@@H]2CCCC[C@@H]2C[NH3+])c1 ZINC000422879107 296349441 /nfs/dbraw/zinc/34/94/41/296349441.db2.gz UMISKNZFOIDOBF-BXUZGUMPSA-N 2 0 314.376 2.904 20 0 DFADRP c1ccc2c(c1)O[C@]1(CC[NH2+]C1)C[C@H]2[NH2+]C[C@H]1CCCS1 ZINC000422881798 296349646 /nfs/dbraw/zinc/34/96/46/296349646.db2.gz ZBRFKPZPECTCML-FRFSOERESA-N 2 0 304.459 2.728 20 0 DFADRP Cc1nc(C)c(CC[NH2+][C@H](C)c2ccc(C[NH3+])nc2C)s1 ZINC000422889433 296351223 /nfs/dbraw/zinc/35/12/23/296351223.db2.gz PNHPCECHSOEJRE-SNVBAGLBSA-N 2 0 304.463 2.815 20 0 DFADRP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000422889955 296351246 /nfs/dbraw/zinc/35/12/46/296351246.db2.gz RAJLCMJUSJJIFX-BWPNAZKDSA-N 3 0 315.505 2.875 20 0 DFADRP CCOc1ccc(C2(C[NH2+][C@@H]3CCC[C@H]3[NH3+])CCOCC2)cc1 ZINC000422885963 296350635 /nfs/dbraw/zinc/35/06/35/296350635.db2.gz ZTHOIDQMHBJWJP-QZTJIDSGSA-N 2 0 318.461 2.603 20 0 DFADRP COc1ccc(C)cc1C1(C[NH2+][C@@H](C)CCC[NH3+])CCOCC1 ZINC000422899915 296352796 /nfs/dbraw/zinc/35/27/96/296352796.db2.gz PMOYRMSJFGLQNW-INIZCTEOSA-N 2 0 320.477 2.769 20 0 DFADRP CC[C@@H]([NH2+]C[C@H]1CCN(c2ccc(F)cc2)C1)[C@@H]1CCC[NH2+]1 ZINC000422901604 296353053 /nfs/dbraw/zinc/35/30/53/296353053.db2.gz SHZPSKOXSCAQSU-OLMNPRSZSA-N 2 0 305.441 2.772 20 0 DFADRP COc1ccc(C)cc1C1(C[NH2+][C@@H](C)C[C@H](C)[NH3+])CCOCC1 ZINC000422901882 296353134 /nfs/dbraw/zinc/35/31/34/296353134.db2.gz SQYJXTVOPKCNEP-HOTGVXAUSA-N 2 0 320.477 2.767 20 0 DFADRP CCCC[C@@H](C[NH3+])NC(=O)[C@H](CC)[N@H+](C)Cc1ccccc1 ZINC000422900555 296353165 /nfs/dbraw/zinc/35/31/65/296353165.db2.gz JOLAKUINJJPUKO-IRXDYDNUSA-N 2 0 305.466 2.531 20 0 DFADRP COc1ccc(COCCC[NH2+][C@@H](C)[C@@H]2CCCC[NH2+]2)cc1 ZINC000422902460 296353357 /nfs/dbraw/zinc/35/33/57/296353357.db2.gz DFWBNQNPCWYIEM-YJBOKZPZSA-N 2 0 306.450 2.722 20 0 DFADRP COc1ccc(COCCC[NH2+][C@H]2CC[NH2+]CC[C@@H]2C)cc1 ZINC000422902140 296353437 /nfs/dbraw/zinc/35/34/37/296353437.db2.gz DCTHUFCLYCUIRY-YJBOKZPZSA-N 2 0 306.450 2.580 20 0 DFADRP Cc1ccccc1C[NH+]1CCC(N[C@H]2CCC[C@H]2C[NH3+])CC1 ZINC000422893708 296351851 /nfs/dbraw/zinc/35/18/51/296351851.db2.gz AOHDKDVDRSAXLV-LPHOPBHVSA-N 2 0 301.478 2.676 20 0 DFADRP COc1ccc(OCCC[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)cc1 ZINC000422894745 296351906 /nfs/dbraw/zinc/35/19/06/296351906.db2.gz DCWJBMGMLUENIB-IPMKNSEASA-N 2 0 318.461 2.974 20 0 DFADRP CC[NH+](CC)CCOc1ccccc1C[NH2+]C1CCC([NH3+])CC1 ZINC000422895674 296352138 /nfs/dbraw/zinc/35/21/38/296352138.db2.gz WORXCXCOVVEMSV-UHFFFAOYSA-N 3 0 319.493 2.767 20 0 DFADRP CC[C@H](C)NC(=O)c1cccc(C[NH2+][C@H]2CCCC[C@@H]2C[NH3+])c1 ZINC000422895021 296352162 /nfs/dbraw/zinc/35/21/62/296352162.db2.gz UXGRCLVLHALQIR-QGTPRVQTSA-N 2 0 317.477 2.822 20 0 DFADRP CC(C)[C@H](CO)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000347416472 285043491 /nfs/dbraw/zinc/04/34/91/285043491.db2.gz OICBIZRBJWTKMW-IPQPSQTFSA-N 2 0 302.462 2.789 20 0 DFADRP Cc1ccc(C[NH+]2CCN(C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)cc1 ZINC000119728343 195026676 /nfs/dbraw/zinc/02/66/76/195026676.db2.gz YBXSKNYGKMLIKN-YOFSQIOKSA-N 2 0 313.489 2.738 20 0 DFADRP CC[C@@H](NCc1cccc(OCC[NH+](C)C)c1)[C@H]1CCCC[NH2+]1 ZINC000422905814 296354211 /nfs/dbraw/zinc/35/42/11/296354211.db2.gz ZLRAXDMVISKDNG-RTBURBONSA-N 2 0 319.493 2.637 20 0 DFADRP COc1ccc(Cl)cc1N1CC[C@H]([NH2+][C@@H](C)C[C@@H](C)[NH3+])C1 ZINC000422906546 296354351 /nfs/dbraw/zinc/35/43/51/296354351.db2.gz KFEIXVUJDROQTH-DYEKYZERSA-N 2 0 311.857 2.643 20 0 DFADRP FC(F)n1c(CC[NH2+][C@H]2CCC[NH2+]CC2)nc2ccccc21 ZINC000422906731 296354454 /nfs/dbraw/zinc/35/44/54/296354454.db2.gz AJYHKCMLKRMGPS-LBPRGKRZSA-N 2 0 308.376 2.706 20 0 DFADRP CSC1(C[NH2+][C@@H](C)C[C@H]2CCCCC[NH2+]2)CCOCC1 ZINC000422917263 296355480 /nfs/dbraw/zinc/35/54/80/296355480.db2.gz FSXJRUGSYOBPLF-LSDHHAIUSA-N 2 0 300.512 2.799 20 0 DFADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]C[C@H]1CCCO[C@H]1C(C)C ZINC000422921606 296355553 /nfs/dbraw/zinc/35/55/53/296355553.db2.gz QQAVYJDDSZPWBT-JOQOYGCGSA-N 2 0 305.466 2.951 20 0 DFADRP C[C@@H]([NH2+]Cc1cc(Cl)c2c(c1)OCCCO2)[C@@H]1CC[NH2+]C1 ZINC000422926120 296356089 /nfs/dbraw/zinc/35/60/89/296356089.db2.gz CLCWWQQDNWTZGZ-DGCLKSJQSA-N 2 0 310.825 2.589 20 0 DFADRP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]CCc1nc2ccccc2n1C(F)F ZINC000422911205 296354814 /nfs/dbraw/zinc/35/48/14/296354814.db2.gz KHEVIUUXWWSHOP-RYUDHWBXSA-N 2 0 308.376 2.691 20 0 DFADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]CCc1nc2ccccc2n1C(F)F ZINC000422912604 296354961 /nfs/dbraw/zinc/35/49/61/296354961.db2.gz NNSXQYHMOQYGKV-OLZOCXBDSA-N 2 0 322.403 2.952 20 0 DFADRP C[C@H](C[C@H](C)[NH3+])[NH2+]CCc1ccc(F)c(Br)c1 ZINC000422931136 296356776 /nfs/dbraw/zinc/35/67/76/296356776.db2.gz AQWIWNGXCQMXRQ-VHSXEESVSA-N 2 0 303.219 2.846 20 0 DFADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]CCc1cc(Cl)c2c(c1)OCCO2 ZINC000422930516 296356872 /nfs/dbraw/zinc/35/68/72/296356872.db2.gz USTHSOMEOXYUJH-IUODEOHRSA-N 2 0 324.852 2.631 20 0 DFADRP c1ccc2c(c1)O[C@@]1(CC[NH2+]C1)C[C@H]2[NH2+]C1CCSCC1 ZINC000422941038 296358285 /nfs/dbraw/zinc/35/82/85/296358285.db2.gz HMKPZSHHTQSXRA-WBVHZDCISA-N 2 0 304.459 2.728 20 0 DFADRP C[C@H]([NH3+])[C@H]1COCC[C@H]1[NH2+]CCc1csc2ccccc12 ZINC000422943329 296358745 /nfs/dbraw/zinc/35/87/45/296358745.db2.gz YBTHRMAKCYSAQB-APHBMKBZSA-N 2 0 304.459 2.786 20 0 DFADRP [NH3+]C[C@@H]1CCC[C@H]1[NH2+]CCc1ccc(F)c(Br)c1 ZINC000422935057 296357548 /nfs/dbraw/zinc/35/75/48/296357548.db2.gz KJMXQVZWJUXIHO-SMDDNHRTSA-N 2 0 315.230 2.848 20 0 DFADRP CC(C)[C@@H](C[NH2+]C1CCC([NH3+])CC1)N1CCc2ccccc2C1 ZINC000422934876 296357597 /nfs/dbraw/zinc/35/75/97/296357597.db2.gz GODXPFDZSYBBTA-SOAGJPPSSA-N 2 0 315.505 2.929 20 0 DFADRP CC(C)c1noc(CCC[NH2+][C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)n1 ZINC000422938089 296357797 /nfs/dbraw/zinc/35/77/97/296357797.db2.gz PHSDJCODTIENNO-RBSFLKMASA-N 2 0 306.454 2.636 20 0 DFADRP CC[C@H](C)C(=O)Nc1cccc(C[NH2+][C@@H](C)[C@@H]2CC[NH2+]C2)c1 ZINC000422944548 296359102 /nfs/dbraw/zinc/35/91/02/296359102.db2.gz MLSFGRBLYCKPLF-OFQRWUPVSA-N 2 0 303.450 2.759 20 0 DFADRP COC[C@@H](CCC[NH3+])[NH2+]CCc1cccc(Cl)c1Cl ZINC000422949590 296359788 /nfs/dbraw/zinc/35/97/88/296359788.db2.gz UKJUIAZNZUOHIU-GFCCVEGCSA-N 2 0 305.249 2.879 20 0 DFADRP C[C@@H]([NH2+]CCCC(=O)Nc1ccc(Cl)cc1)[C@@H]1CC[NH2+]C1 ZINC000422951298 296359991 /nfs/dbraw/zinc/35/99/91/296359991.db2.gz XXUUGFBYQFXFQX-CHWSQXEVSA-N 2 0 309.841 2.646 20 0 DFADRP C[C@@H]1C[NH+](Cc2cccc(N[C@H]3CCC[NH2+]CC3)c2)C[C@@H](C)O1 ZINC000422955831 296360704 /nfs/dbraw/zinc/36/07/04/296360704.db2.gz NSKFWIFAAPJDRI-NUJGCVRESA-N 2 0 317.477 2.850 20 0 DFADRP CC(C)c1ccccc1OCC[NH2+][C@@H]1CCOC[C@H]1[C@H](C)[NH3+] ZINC000422955562 296360729 /nfs/dbraw/zinc/36/07/29/296360729.db2.gz JNYLCQBKVLDQOO-BHYGNILZSA-N 2 0 306.450 2.531 20 0 DFADRP [NH3+]C[C@H]1CCC[C@H]1[NH2+]CCc1coc(-c2ccc(F)cc2)n1 ZINC000422951489 296359997 /nfs/dbraw/zinc/35/99/97/296359997.db2.gz YTEYEXMBOCHSFN-CZUORRHYSA-N 2 0 303.381 2.740 20 0 DFADRP CC(C)c1ccc(OCC[NH2+][C@@H]2CCOC[C@H]2[C@H](C)[NH3+])cc1 ZINC000422950687 296360026 /nfs/dbraw/zinc/36/00/26/296360026.db2.gz WNBYDWFUQBQEHU-JCGIZDLHSA-N 2 0 306.450 2.531 20 0 DFADRP C[C@@H]1CC[NH2+]C[C@H]1Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000422953810 296360469 /nfs/dbraw/zinc/36/04/69/296360469.db2.gz GNEZFOLPXPYBLM-RHSMWYFYSA-N 2 0 305.491 2.645 20 0 DFADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]Cc1ccnc(OC2CCCC2)c1 ZINC000422962360 296361792 /nfs/dbraw/zinc/36/17/92/296361792.db2.gz FMSIOJWLGPJZIP-RHSMWYFYSA-N 2 0 303.450 2.881 20 0 DFADRP Cc1nn(-c2ccccc2)cc1CCC[NH2+][C@@H]1CCC[C@@H]1C[NH3+] ZINC000422966372 296362049 /nfs/dbraw/zinc/36/20/49/296362049.db2.gz RETBRRYXPKTELM-VQIMIIECSA-N 2 0 312.461 2.830 20 0 DFADRP C[C@H]([NH2+]Cc1ccccc1C[NH+]1CCC(C)CC1)C1C[NH2+]C1 ZINC000422965391 296362123 /nfs/dbraw/zinc/36/21/23/296362123.db2.gz LBFLJMCKJKVSOX-INIZCTEOSA-N 3 0 301.478 2.616 20 0 DFADRP [NH3+]C[C@@H]1CCC[C@H]1Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000422957535 296361163 /nfs/dbraw/zinc/36/11/63/296361163.db2.gz UQULEBHRBYICJS-DOTOQJQBSA-N 2 0 305.491 2.775 20 0 DFADRP COCCNc1ccc(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)cc1 ZINC000422968872 296362681 /nfs/dbraw/zinc/36/26/81/296362681.db2.gz SJTFKWJWFFGYRQ-GBESFXJTSA-N 2 0 317.477 2.755 20 0 DFADRP C[C@H](NC1CC[NH+]([C@@H](C)c2ccncc2)CC1)[C@H]1CCCC[NH2+]1 ZINC000422970731 296363029 /nfs/dbraw/zinc/36/30/29/296363029.db2.gz WTTRWQPFFIZOHE-TXPKVOOTSA-N 2 0 316.493 2.727 20 0 DFADRP CCOC(=O)C1([C@H](C)[NH2+]CC2CCC(C)CC2)CC[NH2+]CC1 ZINC000422970508 296363058 /nfs/dbraw/zinc/36/30/58/296363058.db2.gz GLTAVCVKKKGMPP-PCKAHOCUSA-N 2 0 310.482 2.724 20 0 DFADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]Cc1ccc(OC(C)C)nc1 ZINC000422967173 296362449 /nfs/dbraw/zinc/36/24/49/296362449.db2.gz BMXXNVDFQZCMBI-CYBMUJFWSA-N 2 0 314.433 2.882 20 0 DFADRP c1ccc(N2CC[C@H]([NH2+][C@@H]3CCC[C@H]3[C@H]3CCCC[NH2+]3)C2)nc1 ZINC000422968859 296362566 /nfs/dbraw/zinc/36/25/66/296362566.db2.gz SHBWPQRHYUGLEM-WNRNVDISSA-N 2 0 314.477 2.561 20 0 DFADRP CCOC(=O)C1([C@H](C)[NH2+][C@H]2CCCc3occc32)CC[NH2+]CC1 ZINC000422969071 296362569 /nfs/dbraw/zinc/36/25/69/296362569.db2.gz YOGSYLSQOJKSLQ-ZFWWWQNUSA-N 2 0 320.433 2.568 20 0 DFADRP Brc1cccc(NCC[NH2+][C@@H]2CCC[NH2+]CC2)c1 ZINC000422967372 296362608 /nfs/dbraw/zinc/36/26/08/296362608.db2.gz SVPNNYSIZSINLK-CYBMUJFWSA-N 2 0 312.255 2.593 20 0 DFADRP C[C@@H](CCC[NH3+])[NH2+]C[C@@H](CO)Cc1ccccc1C(F)(F)F ZINC000422986659 296364206 /nfs/dbraw/zinc/36/42/06/296364206.db2.gz DBTRQPWOPADDDS-STQMWFEESA-N 2 0 318.383 2.573 20 0 DFADRP CC(C)[N@@H+]1C[C@@H](C)[C@@H](N[C@@H]2CC[NH2+][C@@H](c3ccccc3)C2)C1 ZINC000422987761 296364344 /nfs/dbraw/zinc/36/43/44/296364344.db2.gz HJSDTIHRQFLRLN-OWYHZJEWSA-N 2 0 301.478 2.798 20 0 DFADRP C[C@@H]([NH3+])C[C@H](C)[NH2+]CCc1nc(-c2cccc(Cl)c2)no1 ZINC000422976441 296363412 /nfs/dbraw/zinc/36/34/12/296363412.db2.gz DEZFZBLVNUNEOB-MNOVXSKESA-N 2 0 308.813 2.648 20 0 DFADRP [NH3+][C@@H]1C[C@H]([NH2+][C@H](CO)Cc2c[nH]c3ccccc23)c2ccccc21 ZINC000422978753 296363696 /nfs/dbraw/zinc/36/36/96/296363696.db2.gz KMFDPSOWBKLBCE-QMIHWGKISA-N 2 0 321.424 2.806 20 0 DFADRP C[C@@H]1C[C@H](C[NH2+][C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)CCO1 ZINC000422996632 296365139 /nfs/dbraw/zinc/36/51/39/296365139.db2.gz UEEOTCFBMHNRLV-FXRXJOCMSA-N 2 0 316.445 2.647 20 0 DFADRP Cc1ccc([C@H](Cn2ccnc2)[NH2+][C@@H](C)CCC[NH3+])c(C)c1 ZINC000422997403 296365141 /nfs/dbraw/zinc/36/51/41/296365141.db2.gz OAXHQKCMLWXRRR-WMZOPIPTSA-N 2 0 300.450 2.958 20 0 DFADRP Cc1cc(C[C@H](C)[NH2+][C@@H](C)CCC[NH3+])n(-c2ccccc2)n1 ZINC000422994451 296364799 /nfs/dbraw/zinc/36/47/99/296364799.db2.gz HRKOFOPSJUCHPJ-GJZGRUSLSA-N 2 0 300.450 2.829 20 0 DFADRP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+]CCOc1ccc(C(F)(F)F)cn1 ZINC000422992920 296364966 /nfs/dbraw/zinc/36/49/66/296364966.db2.gz SBUKHIDXVAEYCQ-OLZOCXBDSA-N 2 0 317.355 2.729 20 0 DFADRP CCC(CC)[C@H](CC[NH2+][C@@H]1CCOC[C@H]1[C@H]1CCC[NH2+]1)OC ZINC000423001097 296365804 /nfs/dbraw/zinc/36/58/04/296365804.db2.gz WMSHUIMKLQAWPA-MLHJIOFPSA-N 2 0 312.498 2.574 20 0 DFADRP CCC1(C[NH2+][C@@H]2CC[NH2+]C2)CC[NH+](Cc2ccccc2)CC1 ZINC000422999703 296365530 /nfs/dbraw/zinc/36/55/30/296365530.db2.gz FRVIWLPONMVIOW-GOSISDBHSA-N 2 0 301.478 2.630 20 0 DFADRP C[N@@H+]1CCC[C@@H]2CN(c3nc4ccccc4n4cncc34)CC[C@@H]21 ZINC000624041030 399533526 /nfs/dbraw/zinc/53/35/26/399533526.db2.gz HBSPNUSXHJSTAW-ZBFHGGJFSA-N 2 0 321.428 2.803 20 0 DFADRP Cc1nn(C)c(C)c1CCC[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1 ZINC000423015185 296367824 /nfs/dbraw/zinc/36/78/24/296367824.db2.gz KEQNMYYOUILKHT-GBESFXJTSA-N 2 0 318.509 2.870 20 0 DFADRP C[C@H]([NH2+][C@@H]1CCN(C)[C@@H]1c1ccc(Cl)cc1)[C@@H]1CC[NH2+]C1 ZINC000423014857 296367908 /nfs/dbraw/zinc/36/79/08/296367908.db2.gz PWMFIPRCHXUMLG-LBRJOISOSA-N 2 0 307.869 2.673 20 0 DFADRP COC(=O)c1csc(C[NH2+]CC2CC[NH+](CC3CC3)CC2)c1 ZINC000602718418 399537423 /nfs/dbraw/zinc/53/74/23/399537423.db2.gz YDFQYDQUJAFEHE-UHFFFAOYSA-N 2 0 322.474 2.746 20 0 DFADRP Cc1cc(C[NH+](C)C)cc(N[C@@H]2CCC[C@H]2[C@H]2COCC[NH2+]2)c1 ZINC000423021997 296369025 /nfs/dbraw/zinc/36/90/25/296369025.db2.gz DINVRLWNXWIQIC-GUDVDZBRSA-N 2 0 317.477 2.626 20 0 DFADRP COc1ccc(C[C@H](C)C[NH2+][C@@H]2CCC[NH2+]CC2)cc1OC ZINC000423026945 296369214 /nfs/dbraw/zinc/36/92/14/296369214.db2.gz QNVACOQEKWZENZ-GOEBONIOSA-N 2 0 306.450 2.614 20 0 DFADRP CN1CC[C@@H]([NH2+]C2CCC(C[NH3+])CC2)[C@H]1c1ccc(F)c(F)c1 ZINC000423024511 296369241 /nfs/dbraw/zinc/36/92/41/296369241.db2.gz LUHDDEGHMAXTMF-CFSGWGOTSA-N 2 0 323.431 2.817 20 0 DFADRP COc1ccc(C[C@H](C)C[NH2+][C@@H]2CC[NH2+]CC[C@H]2C)cc1OC ZINC000423026634 296369320 /nfs/dbraw/zinc/36/93/20/296369320.db2.gz QKGFMHJBBBSMBT-ZMSDIMECSA-N 2 0 320.477 2.860 20 0 DFADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]CC1([C@H](C)CCO)CCC1 ZINC000423018088 296368485 /nfs/dbraw/zinc/36/84/85/296368485.db2.gz QFBDCEWAAFDDIU-ZIAGYGMSSA-N 2 0 305.466 2.688 20 0 DFADRP COc1ccc([C@@H](OC)[C@@H](C)[NH2+]C2CCC(C[NH3+])CC2)cc1 ZINC000423019131 296368525 /nfs/dbraw/zinc/36/85/25/296368525.db2.gz UCXGLJQHHAFVBY-YMEAELAKSA-N 2 0 306.450 2.878 20 0 DFADRP C[C@H]([NH2+][C@H]1CCN(c2ccc(Cl)c(F)c2)C1)[C@@H]1CC[NH2+]C1 ZINC000423020669 296368572 /nfs/dbraw/zinc/36/85/72/296368572.db2.gz CNKPYQRBVZAKLQ-XQQFMLRXSA-N 2 0 311.832 2.645 20 0 DFADRP C[C@@H](CCCC[NH3+])[NH2+][C@H](c1ccn(C)n1)c1ccc(F)cc1 ZINC000423020321 296368601 /nfs/dbraw/zinc/36/86/01/296368601.db2.gz ZXYAMVAQEBCONG-GUYCJALGSA-N 2 0 304.413 2.756 20 0 DFADRP COc1cccc(C[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)C2CC2)c1 ZINC000423018205 296368627 /nfs/dbraw/zinc/36/86/27/296368627.db2.gz YJVWLBSOLWRHPF-SUTQANCOSA-N 2 0 300.446 2.889 20 0 DFADRP CC(C)[NH+]1CCN(c2cccc(N[C@@H](C)[C@H]3CC[NH2+]C3)c2)CC1 ZINC000423033512 296370197 /nfs/dbraw/zinc/37/01/97/296370197.db2.gz WZBYTXNAZQUTLR-IRXDYDNUSA-N 2 0 316.493 2.627 20 0 DFADRP C[C@H](CCC[NH3+])[NH2+]CCCc1nc(-c2ccc(F)cc2)no1 ZINC000423028802 296369586 /nfs/dbraw/zinc/36/95/86/296369586.db2.gz HEKVTYRLXYJSCH-GFCCVEGCSA-N 2 0 306.385 2.525 20 0 DFADRP C[C@H](CCN[C@H](Cc1ccccc1)[C@H](C)[NH3+])[NH+]1CCCCC1 ZINC000423031488 296370009 /nfs/dbraw/zinc/37/00/09/296370009.db2.gz LAOSVIORNBNQFT-ZIFCJYIRSA-N 2 0 303.494 2.799 20 0 DFADRP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+][C@H]1CCN(c2ccc(F)c(Cl)c2)C1 ZINC000423038056 296370726 /nfs/dbraw/zinc/37/07/26/296370726.db2.gz CGZYTVYXMMZNRG-MKBNYLNASA-N 2 0 311.832 2.775 20 0 DFADRP COc1cccc([C@@H]2[C@H]([NH2+][C@H](C)C[C@@H](C)[NH3+])CCN2C2CC2)c1 ZINC000423041746 296371057 /nfs/dbraw/zinc/37/10/57/296371057.db2.gz JQCLQIJPMMINDS-TWKYDXJASA-N 2 0 317.477 2.688 20 0 DFADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]CCCOCCOCc1ccccc1 ZINC000423043967 296371211 /nfs/dbraw/zinc/37/12/11/296371211.db2.gz QGLYXVAQBJTVLV-IEBWSBKVSA-N 2 0 320.477 2.588 20 0 DFADRP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1[NH2+]CCCCc1ccc(F)c(F)c1 ZINC000423047837 296371525 /nfs/dbraw/zinc/37/15/25/296371525.db2.gz HGJWQSDRVYSADN-JDFRZJQESA-N 2 0 312.404 2.629 20 0 DFADRP Cn1cc(CC[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)c2ccc(F)cc21 ZINC000423046130 296371686 /nfs/dbraw/zinc/37/16/86/296371686.db2.gz DGTIINLMSFWYIW-XYPWUTKMSA-N 2 0 301.409 2.733 20 0 DFADRP Cn1nc(CC[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)c2ccccc21 ZINC000423050625 296371931 /nfs/dbraw/zinc/37/19/31/296371931.db2.gz LORDGWZJBWWEAD-UAGQMJEPSA-N 2 0 312.461 2.626 20 0 DFADRP COc1ccccc1[C@H](C[NH2+][C@H]1CCC[C@H]1C[NH3+])OC(C)C ZINC000423053416 296372537 /nfs/dbraw/zinc/37/25/37/296372537.db2.gz RZPXXQSBPWJHIF-ZVZYQTTQSA-N 2 0 306.450 2.878 20 0 DFADRP C[C@@H]([NH2+]CCCN1CCC[C@H]1C(N)=O)[C@H](C)C1CCCCC1 ZINC000624085246 399548483 /nfs/dbraw/zinc/54/84/83/399548483.db2.gz HARMRKBXQXQEHI-UXLLHSPISA-N 2 0 309.498 2.521 20 0 DFADRP CC[C@H]([NH2+]C[C@@H]1Cc2ccccc2N(C)C1)[C@@H]1CCCC[NH2+]1 ZINC000423054911 296372779 /nfs/dbraw/zinc/37/27/79/296372779.db2.gz CFZAVZBNNOGKIU-SZMVWBNQSA-N 2 0 301.478 2.805 20 0 DFADRP [NH3+]CC1CCC([NH2+]CCN2CCc3c(Cl)cccc3C2)CC1 ZINC000423059072 296373320 /nfs/dbraw/zinc/37/33/20/296373320.db2.gz KYWGQGOJXVSLDH-UHFFFAOYSA-N 2 0 321.896 2.805 20 0 DFADRP C[C@@H]([NH2+]CCc1cn(C)c2cc(Cl)ccc12)[C@@H]1CC[NH2+]C1 ZINC000423063259 296373676 /nfs/dbraw/zinc/37/36/76/296373676.db2.gz OKRMHNNIGIFCIS-CHWSQXEVSA-N 2 0 305.853 2.962 20 0 DFADRP CCN1CCC([NH2+][C@@H](C)c2cccc(OCC[NH+](C)C)c2)CC1 ZINC000159283277 197342238 /nfs/dbraw/zinc/34/22/38/197342238.db2.gz RZLDEUSBYQAFNN-INIZCTEOSA-N 2 0 319.493 2.762 20 0 DFADRP OC[C@H]1CC[C@@H]([NH2+]C2CCN(Cc3ccccc3)CC2)CC1 ZINC000120195451 195117048 /nfs/dbraw/zinc/11/70/48/195117048.db2.gz KQIYACGVLDVWPC-IYARVYRRSA-N 2 0 302.462 2.792 20 0 DFADRP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+]CC1CCN(CC(F)(F)F)CC1 ZINC000423065459 296374066 /nfs/dbraw/zinc/37/40/66/296374066.db2.gz UMNQNRCQMSRHKA-KGLIPLIRSA-N 2 0 307.404 2.510 20 0 DFADRP C[C@@H]1CC[NH2+]CC[C@H]1NC[C@@H](C1CC1)[N@H+](C)Cc1ccccc1 ZINC000423066568 296374094 /nfs/dbraw/zinc/37/40/94/296374094.db2.gz XDXHBBQNLHIJDC-AHRSYUTCSA-N 2 0 315.505 2.875 20 0 DFADRP CC[C@@H]([NH2+]CC1CCN(CC(F)(F)F)CC1)[C@@H]1CCCC[NH2+]1 ZINC000423065371 296374187 /nfs/dbraw/zinc/37/41/87/296374187.db2.gz UILSECKCLIPZCU-CABCVRRESA-N 2 0 321.431 2.771 20 0 DFADRP C[C@H](O)[C@](C)(C[NH2+][C@@H]1CCCCC[C@@H]1[NH3+])Cc1ccccc1 ZINC000423070158 296374638 /nfs/dbraw/zinc/37/46/38/296374638.db2.gz FQGSJQZOUMBNGU-KANFNMMFSA-N 2 0 304.478 2.866 20 0 DFADRP [NH3+]C1CCC([NH2+]CCCOc2ccc(C(F)(F)F)cn2)CC1 ZINC000423080166 296376105 /nfs/dbraw/zinc/37/61/05/296376105.db2.gz RXFIHPSVZRXQQI-UHFFFAOYSA-N 2 0 317.355 2.729 20 0 DFADRP c1cc(C2CC2)ccc1C[NH2+][C@@H]1CCOC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000423083284 296376317 /nfs/dbraw/zinc/37/63/17/296376317.db2.gz YNRSJJBZPGCRDH-CEXWTWQISA-N 2 0 300.446 2.811 20 0 DFADRP C[C@H](O)[C@](C)(C[NH2+][C@@H]1CCCC[C@@H]1C[NH3+])Cc1ccccc1 ZINC000423078499 296375558 /nfs/dbraw/zinc/37/55/58/296375558.db2.gz OQTOTMFXLZTEHP-AITUJVMLSA-N 2 0 304.478 2.723 20 0 DFADRP COC[C@H](CCC[NH3+])[NH2+]Cc1cccc(C)c1Br ZINC000423075679 296375577 /nfs/dbraw/zinc/37/55/77/296375577.db2.gz XNXAJAHSPRZXMB-ZDUSSCGKSA-N 2 0 315.255 2.601 20 0 DFADRP Fc1ccc2c(c1)[C@H]([NH2+][C@@H]1CCOC[C@@H]1[C@H]1CCC[NH2+]1)CCC2 ZINC000423087127 296376798 /nfs/dbraw/zinc/37/67/98/296376798.db2.gz OQAWZIMFDGUDTF-NCXUSEDFSA-N 2 0 318.436 2.950 20 0 DFADRP Fc1ccc2c(c1)[C@H]([NH2+][C@@H]1CCOC[C@@H]1[C@@H]1CCC[NH2+]1)CCC2 ZINC000423087025 296376807 /nfs/dbraw/zinc/37/68/07/296376807.db2.gz OQAWZIMFDGUDTF-FCGDIQPGSA-N 2 0 318.436 2.950 20 0 DFADRP C[C@@H](NC[C@@H]1CC[N@H+](Cc2ccccc2)C1)[C@H]1CCCC[NH2+]1 ZINC000423089823 296377027 /nfs/dbraw/zinc/37/70/27/296377027.db2.gz WCWHXBCZNOWNRV-NZSAHSFTSA-N 2 0 301.478 2.629 20 0 DFADRP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]C1CC(N2CCC(C(F)(F)F)CC2)C1 ZINC000423088743 296377245 /nfs/dbraw/zinc/37/72/45/296377245.db2.gz SOLVLXHHACFRNJ-LLGZUXRYSA-N 2 0 319.415 2.509 20 0 DFADRP FC(F)(F)c1ccc(OCCC[NH2+][C@H]2CCC[NH2+]CC2)nc1 ZINC000423083341 296376490 /nfs/dbraw/zinc/37/64/90/296376490.db2.gz YPRBWUFWGQQGMG-ZDUSSCGKSA-N 2 0 317.355 2.601 20 0 DFADRP C[C@H]([NH3+])[C@H]1COCC[C@@H]1[NH2+][C@H]1C[C@H](c2ccc(Cl)cc2)C1 ZINC000423095651 296377992 /nfs/dbraw/zinc/37/79/92/296377992.db2.gz MUVAVHKRGFQHIY-UUAYOZFRSA-N 2 0 308.853 2.928 20 0 DFADRP Fc1ccccc1CCC[NH2+][C@@H]1CCOC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000423097347 296378008 /nfs/dbraw/zinc/37/80/08/296378008.db2.gz QTIQLSIUTCEIHF-KBAYOESNSA-N 2 0 306.425 2.505 20 0 DFADRP CC[C@H](NC[C@H]1CC[N@H+](Cc2ccccc2)C1)[C@@H]1CCC[NH2+]1 ZINC000423090709 296377323 /nfs/dbraw/zinc/37/73/23/296377323.db2.gz YITDNFZIZDXHKT-QYZOEREBSA-N 2 0 301.478 2.629 20 0 DFADRP C1C(N[C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)CC1[NH+]1CCCCC1 ZINC000423092943 296377587 /nfs/dbraw/zinc/37/75/87/296377587.db2.gz DYVOQAZKZHPDHS-CPLYBDICSA-N 2 0 305.510 2.904 20 0 DFADRP FC(F)(F)COc1cccc(CC[NH2+][C@H]2CCC[NH2+]CC2)c1 ZINC000423101957 296378575 /nfs/dbraw/zinc/37/85/75/296378575.db2.gz WRJZQNITYFGVQF-AWEZNQCLSA-N 2 0 316.367 2.902 20 0 DFADRP FC(F)Oc1cc(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)ccn1 ZINC000423106153 296379078 /nfs/dbraw/zinc/37/90/78/296379078.db2.gz OKUQFAYAXZMBHG-HZSPNIEDSA-N 2 0 311.376 2.693 20 0 DFADRP C[NH+]1CCC(Oc2ccc(C[NH2+]C3CCC([NH3+])CC3)cc2)CC1 ZINC000423108993 296379253 /nfs/dbraw/zinc/37/92/53/296379253.db2.gz SAGXIDATZFXMRK-UHFFFAOYSA-N 3 0 317.477 2.519 20 0 DFADRP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+]C[C@@](C)(CO)c1ccccc1 ZINC000423108717 296379262 /nfs/dbraw/zinc/37/92/62/296379262.db2.gz MNUVKIIQNVRYBY-QRQLOZEOSA-N 2 0 304.478 2.837 20 0 DFADRP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+]C[C@](C)(CO)c1ccccc1 ZINC000423108694 296379323 /nfs/dbraw/zinc/37/93/23/296379323.db2.gz MNUVKIIQNVRYBY-BHIYHBOVSA-N 2 0 304.478 2.837 20 0 DFADRP COC[C@H](CCC[NH3+])[NH2+]CCn1ccc2cc(Cl)ccc21 ZINC000423109355 296379404 /nfs/dbraw/zinc/37/94/04/296379404.db2.gz SGUWKLLOLMIKBQ-HNNXBMFYSA-N 2 0 309.841 2.638 20 0 DFADRP C[C@H](C[C@H](C)[NH3+])[NH2+][C@@H]1CCOc2c(Br)cccc21 ZINC000423105854 296378924 /nfs/dbraw/zinc/37/89/24/296378924.db2.gz CODDWSYIWUQACD-OPQQBVKSSA-N 2 0 313.239 2.988 20 0 DFADRP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]Cc1ccncc1OCC(F)(F)F ZINC000423106375 296378963 /nfs/dbraw/zinc/37/89/63/296378963.db2.gz RLGIUFCYGMTIOF-WCQYABFASA-N 2 0 317.355 2.630 20 0 DFADRP Cc1ccccc1[C@H]1C[C@H]([NH2+][C@@H]2CCOC[C@@H]2[C@@H]2CCC[NH2+]2)C1 ZINC000423106343 296378970 /nfs/dbraw/zinc/37/89/70/296378970.db2.gz RKCMMFDBWDNLKX-CVYSASLGSA-N 2 0 314.473 2.988 20 0 DFADRP C[C@H]([NH3+])C[C@H](C)[NH2+][C@@H]1CCOc2c(Br)cccc21 ZINC000423105855 296379017 /nfs/dbraw/zinc/37/90/17/296379017.db2.gz CODDWSYIWUQACD-OUJBWJOFSA-N 2 0 313.239 2.988 20 0 DFADRP CCSCCC[NH2+][C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423110380 296379648 /nfs/dbraw/zinc/37/96/48/296379648.db2.gz HTFRNVHVURIDPD-NVXWUHKLSA-N 2 0 306.475 2.975 20 0 DFADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]Cc1ccnc(OC(F)F)c1 ZINC000423111856 296379653 /nfs/dbraw/zinc/37/96/53/296379653.db2.gz WUPXFVPYFDQUGH-JTQLQIEISA-N 2 0 322.359 2.696 20 0 DFADRP C[C@H]([NH3+])[C@H]1COCC[C@H]1[NH2+]CCCc1c[nH]c2ccc(F)cc12 ZINC000423111356 296379672 /nfs/dbraw/zinc/37/96/72/296379672.db2.gz IXHZHEFQMJAKLG-BJOOFOGMSA-N 2 0 319.424 2.582 20 0 DFADRP CO[C@H]1CCCC[C@@H]1[NH2+][C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423117451 296380335 /nfs/dbraw/zinc/38/03/35/296380335.db2.gz VOILQYITEMMRJQ-PBWTXFEYSA-N 2 0 316.445 2.790 20 0 DFADRP FC1(F)CCC(C[NH2+][C@@H]2CCOC[C@H]2[C@@H]2CCC[NH2+]2)CC1 ZINC000423117537 296380369 /nfs/dbraw/zinc/38/03/69/296380369.db2.gz VVPAYFPDYLUFSL-SOUVJXGZSA-N 2 0 302.409 2.559 20 0 DFADRP FC1(F)CCC(C[NH2+][C@@H]2CCOC[C@@H]2[C@@H]2CCC[NH2+]2)CC1 ZINC000423117534 296380493 /nfs/dbraw/zinc/38/04/93/296380493.db2.gz VVPAYFPDYLUFSL-QLFBSQMISA-N 2 0 302.409 2.559 20 0 DFADRP CSC1(C[NH2+][C@@H]2C[C@@H]([NH3+])c3ccccc32)CC[NH+](C)CC1 ZINC000423118821 296380707 /nfs/dbraw/zinc/38/07/07/296380707.db2.gz AHBZCGHGYULSID-HZPDHXFCSA-N 2 0 305.491 2.548 20 0 DFADRP CCOCC(C)(C)C[NH2+][C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423120698 296380810 /nfs/dbraw/zinc/38/08/10/296380810.db2.gz HIUZVFIJGCOKFJ-LPHOPBHVSA-N 2 0 318.461 2.895 20 0 DFADRP Cc1cc(C[NH2+][C@@H]2CCCC[C@@H]2C[NH3+])cc(N2CCCC2)n1 ZINC000423122426 296381056 /nfs/dbraw/zinc/38/10/56/296381056.db2.gz KRZDCBZFBFFJMG-IAGOWNOFSA-N 2 0 302.466 2.597 20 0 DFADRP CC(C)Oc1ccc([C@H](C[NH2+][C@H](C)C[C@H](C)[NH3+])N(C)C)cc1 ZINC000423122539 296381196 /nfs/dbraw/zinc/38/11/96/296381196.db2.gz JUFGUJYIRLHEBJ-DAYGRLMNSA-N 2 0 307.482 2.792 20 0 DFADRP COCC(C)(C)C[NH2+][C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423128116 296381948 /nfs/dbraw/zinc/38/19/48/296381948.db2.gz KEHXSSGENOOFMW-MAUKXSAKSA-N 2 0 304.434 2.505 20 0 DFADRP C[C@@H]([NH2+]CCc1cnc(SC2CCCC2)nc1)[C@H]1CC[NH2+]C1 ZINC000423134529 296382651 /nfs/dbraw/zinc/38/26/51/296382651.db2.gz MKMHCVRSCKXCGY-HIFRSBDPSA-N 2 0 320.506 2.641 20 0 DFADRP C[C@H]1[C@H]([NH2+]C2CCC(C[NH3+])CC2)CCN1Cc1ccccc1 ZINC000423132382 296382832 /nfs/dbraw/zinc/38/28/32/296382832.db2.gz UMJRMKIUIZMTAS-NHFHULPWSA-N 2 0 301.478 2.757 20 0 DFADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]CCc1cccc(C(F)(F)F)n1 ZINC000423134393 296382501 /nfs/dbraw/zinc/38/25/01/296382501.db2.gz RSKOHLQJNIFSPQ-YPMHNXCESA-N 2 0 301.356 2.621 20 0 DFADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]C[C@H]1CCN(c2ccccc2F)C1 ZINC000423140984 296383776 /nfs/dbraw/zinc/38/37/76/296383776.db2.gz NLBSPXATIPQEDZ-VYDXJSESSA-N 2 0 305.441 2.759 20 0 DFADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]C[C@H]1CCN(c2ccccc2F)C1 ZINC000423142114 296383990 /nfs/dbraw/zinc/38/39/90/296383990.db2.gz UASNZPOQWPLOPB-INMHGKMJSA-N 2 0 305.441 2.630 20 0 DFADRP [NH3+]C[C@H]1CCCC[C@H]1[NH2+]CCc1cc(C(F)(F)F)ccn1 ZINC000423140692 296383726 /nfs/dbraw/zinc/38/37/26/296383726.db2.gz ZEIDKPJUFABWMX-BXUZGUMPSA-N 2 0 301.356 2.750 20 0 DFADRP CCO[C@@H]1C[C@H]([NH2+][C@H](C)C[C@H]2CCCCC[NH2+]2)[C@@H]1n1cccn1 ZINC000423151007 296385530 /nfs/dbraw/zinc/38/55/30/296385530.db2.gz ZNQYHENXHGQLBF-SFFUCWETSA-N 2 0 320.481 2.502 20 0 DFADRP Cc1ccc(C2(C[NH2+][C@@H]3CCOC[C@@H]3[C@@H](C)[NH3+])CC2)c(C)c1 ZINC000423147659 296385050 /nfs/dbraw/zinc/38/50/50/296385050.db2.gz SNYLSGYUPDVWRF-JFIYKMOQSA-N 2 0 302.462 2.677 20 0 DFADRP FC1(F)CCCC[C@@H]1C[NH2+][C@@H]1CCOC[C@H]1[C@H]1CCC[NH2+]1 ZINC000423147831 296385206 /nfs/dbraw/zinc/38/52/06/296385206.db2.gz SWACNIJVSGHFQN-LXTVHRRPSA-N 2 0 302.409 2.559 20 0 DFADRP O[C@@H]1CCCC[C@H]1C[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000158248228 197256987 /nfs/dbraw/zinc/25/69/87/197256987.db2.gz SLSRJEUTISFXBN-AZUAARDMSA-N 2 0 316.489 2.834 20 0 DFADRP O[C@H](C[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1)Cc1cccc(F)c1 ZINC000423149101 296385331 /nfs/dbraw/zinc/38/53/31/296385331.db2.gz WZMXXDFMVGMENS-WJFTUGDTSA-N 2 0 320.452 2.630 20 0 DFADRP CC(C)[C@@H]1C[C@H](C[NH2+][C@H](Cc2ccccc2)[C@@H](C)[NH3+])CCO1 ZINC000423157839 296386255 /nfs/dbraw/zinc/38/62/55/296386255.db2.gz WATZWMJIPRIOGG-OWYHZJEWSA-N 2 0 304.478 2.986 20 0 DFADRP Cc1ccncc1C[NH2+][C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423154344 296385779 /nfs/dbraw/zinc/38/57/79/296385779.db2.gz OSANKCBPTNGYLE-MJGOQNOKSA-N 2 0 309.413 2.736 20 0 DFADRP Cc1ccncc1C[NH2+][C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423154343 296385834 /nfs/dbraw/zinc/38/58/34/296385834.db2.gz OSANKCBPTNGYLE-IEBWSBKVSA-N 2 0 309.413 2.736 20 0 DFADRP C[C@H]1CC[NH2+]CC[C@@H]1[NH2+]CCOc1ccc(Cl)c(F)c1 ZINC000423154369 296385855 /nfs/dbraw/zinc/38/58/55/296385855.db2.gz OVMDVXIETDSMLC-NHYWBVRUSA-N 2 0 300.805 2.836 20 0 DFADRP CCOC(=O)C1([C@H](C)[NH2+]C[C@H]2CCC[C@@H]2CC)CC[NH2+]CC1 ZINC000423163470 296387022 /nfs/dbraw/zinc/38/70/22/296387022.db2.gz VMXNICAEGFCSLR-HRCADAONSA-N 2 0 310.482 2.724 20 0 DFADRP OCC[C@H]([NH2+][C@H]1CCC[NH2+]CC1)c1cccc(C(F)(F)F)c1 ZINC000423166454 296387141 /nfs/dbraw/zinc/38/71/41/296387141.db2.gz ZGVSPPJLLVBOHU-GJZGRUSLSA-N 2 0 316.367 2.861 20 0 DFADRP C[C@H]([NH2+][C@H]1CCc2c1ccc(F)c2Br)C1C[NH2+]C1 ZINC000423159870 296386546 /nfs/dbraw/zinc/38/65/46/296386546.db2.gz YOZGOHQLNNZPEN-SDBXPKJASA-N 2 0 313.214 2.773 20 0 DFADRP COc1cccc2c1C[C@H]([NH2+][C@@H](Cc1ccccc1)[C@H](C)[NH3+])C2 ZINC000423173621 296388138 /nfs/dbraw/zinc/38/81/38/296388138.db2.gz ZLEMFVSTFRWYIW-YJLNNSPDSA-N 2 0 310.441 2.711 20 0 DFADRP CC1CC[NH+](CCC[C@H](NCC[NH3+])c2ccc(F)cc2)CC1 ZINC000423175452 296388210 /nfs/dbraw/zinc/38/82/10/296388210.db2.gz ANNMOEXAPIGYLT-SFHVURJKSA-N 2 0 307.457 2.927 20 0 DFADRP C[C@H]([NH2+]CCCN1CC[NH2+]CC1)c1ccc(Cl)c(Cl)c1 ZINC000423175963 296388237 /nfs/dbraw/zinc/38/82/37/296388237.db2.gz FXGWBNWCCIVJRA-LBPRGKRZSA-N 2 0 316.276 2.939 20 0 DFADRP COc1cccc2c1C[C@H]([NH2+][C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1)C2 ZINC000423173662 296388279 /nfs/dbraw/zinc/38/82/79/296388279.db2.gz ZPHBRWMIPAHEOY-JOCBIADPSA-N 2 0 300.446 2.673 20 0 DFADRP [NH3+]CCCN[C@@H]1CCCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000423177103 296388552 /nfs/dbraw/zinc/38/85/52/296388552.db2.gz AFVJMVURMRWDFT-CEXWTWQISA-N 2 0 301.478 2.616 20 0 DFADRP C[C@@H]([NH2+]CCCN1CC[NH2+]CC1)c1ccc2c(c1)CCCC2 ZINC000423177770 296388575 /nfs/dbraw/zinc/38/85/75/296388575.db2.gz JJVBOANSGTZYCA-MRXNPFEDSA-N 2 0 301.478 2.511 20 0 DFADRP CC(C)[C@@H](CCc1ccccc1)[NH2+]CCCN1CC[NH2+]CC1 ZINC000423181685 296389288 /nfs/dbraw/zinc/38/92/88/296389288.db2.gz PFOWXYPTELCLDI-LJQANCHMSA-N 2 0 303.494 2.529 20 0 DFADRP C[C@@H](NCC1([NH3+])CCCCC1)c1ccc(OCC[NH+](C)C)cc1 ZINC000423187578 296390032 /nfs/dbraw/zinc/39/00/32/296390032.db2.gz YGAZJNHPVUJOPH-MRXNPFEDSA-N 2 0 319.493 2.939 20 0 DFADRP C[C@@H]1C[C@H](C[NH2+][C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)[C@@H](C)O1 ZINC000423185539 296389589 /nfs/dbraw/zinc/38/95/89/296389589.db2.gz NXSFCBUVGYTJNU-GHJUNDHASA-N 2 0 316.445 2.645 20 0 DFADRP c1ccc([C@H](CC2CCC2)[NH2+]CCCN2CC[NH2+]CC2)cc1 ZINC000423192570 296390328 /nfs/dbraw/zinc/39/03/28/296390328.db2.gz WACSJWJABVUOGS-IBGZPJMESA-N 2 0 301.478 2.803 20 0 DFADRP C[C@H](Cc1cn(C)c2ccc(F)cc12)[NH2+][C@H]1CCC[NH2+]CC1 ZINC000423191395 296390366 /nfs/dbraw/zinc/39/03/66/296390366.db2.gz STJFERNWGPXSFF-CJNGLKHVSA-N 2 0 303.425 2.980 20 0 DFADRP COc1cc([C@H](C)[NH2+]C[C@@H]2CCC[NH2+]C2)ccc1OC(F)F ZINC000423203500 296392197 /nfs/dbraw/zinc/39/21/97/296392197.db2.gz CKNGGUXLAAQGDM-NWDGAFQWSA-N 2 0 314.376 2.947 20 0 DFADRP Cn1cc([C@@H]([NH2+]C2CCC([NH3+])CC2)c2cccc(F)c2)cn1 ZINC000423205770 296392301 /nfs/dbraw/zinc/39/23/01/296392301.db2.gz BKGXUYIBFAMCAL-JCYILVPMSA-N 2 0 302.397 2.508 20 0 DFADRP COc1cc(NC(C)=O)ccc1[C@@H](C)[NH2+]C1CCC([NH3+])CC1 ZINC000423207396 296392585 /nfs/dbraw/zinc/39/25/85/296392585.db2.gz CQPLXUOPXNYTQG-LMWSTFAQSA-N 2 0 305.422 2.574 20 0 DFADRP Clc1ccc([C@@H]2CCC[C@@H]([NH2+]CCN3CC[NH2+]CC3)C2)cc1 ZINC000423209505 296392758 /nfs/dbraw/zinc/39/27/58/296392758.db2.gz UXPHGNLIRDZWDG-SJLPKXTDSA-N 2 0 321.896 2.861 20 0 DFADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)Nc1ccsc1 ZINC000157404670 197185088 /nfs/dbraw/zinc/18/50/88/197185088.db2.gz MJHSWQPRJYDZAF-HNNXBMFYSA-N 2 0 324.494 2.628 20 0 DFADRP COC(=O)CCC[C@@H]1CCC[C@H]([NH2+][C@@H](C)[C@@H]2CCC[NH2+]C2)C1 ZINC000423221929 296394022 /nfs/dbraw/zinc/39/40/22/296394022.db2.gz YSMGAVQBFZHXDG-NXOAAHMSSA-N 2 0 310.482 2.866 20 0 DFADRP C[C@@H]([NH2+][C@@H](C)c1cccc(OCC[NH+](C)C)c1)[C@H]1CCC[NH2+]C1 ZINC000423218071 296393769 /nfs/dbraw/zinc/39/37/69/296393769.db2.gz RHKSFAVRRRKSEU-JZXOWHBKSA-N 3 0 319.493 2.666 20 0 DFADRP COc1ccc([C@H](C)[NH2+][C@@H](C)[C@@H]2CCC[NH2+]C2)cc1NC(C)=O ZINC000423220524 296394014 /nfs/dbraw/zinc/39/40/14/296394014.db2.gz VLLGUGAADUHXQK-HEHGZKQESA-N 2 0 319.449 2.692 20 0 DFADRP CC[NH2+]CCN[C@H](Cc1ccccc1Br)C1CC1 ZINC000423229040 296394781 /nfs/dbraw/zinc/39/47/81/296394781.db2.gz AAVNFVJAHUGGFJ-OAHLLOKOSA-N 2 0 311.267 2.969 20 0 DFADRP C[C@@H]([NH3+])CC[NH2+][C@H]1CCc2c1ccc(F)c2Br ZINC000423226651 296394360 /nfs/dbraw/zinc/39/43/60/296394360.db2.gz RPHHNRIRMMNINA-PELKAZGASA-N 2 0 301.203 2.902 20 0 DFADRP C[C@@H](Cc1ccccc1)[NH+]1CCC([NH2+]C2CCC([NH3+])CC2)CC1 ZINC000423240194 296395887 /nfs/dbraw/zinc/39/58/87/296395887.db2.gz XAUOEHFFOWTUCM-IVMQYODDSA-N 3 0 315.505 2.942 20 0 DFADRP CC[C@@H]1[NH2+]CC[C@H]1N[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000629387541 399590018 /nfs/dbraw/zinc/59/00/18/399590018.db2.gz GBFDPBVQMKSKAL-DSLXNQLJSA-N 2 0 301.478 2.770 20 0 DFADRP C[C@@H]([NH2+]CC[C@@H]1CC[NH2+]C1)c1ncc(Br)cc1F ZINC000423245004 296396664 /nfs/dbraw/zinc/39/66/64/296396664.db2.gz IIQREGVBDLKOQM-ZJUUUORDSA-N 2 0 316.218 2.633 20 0 DFADRP c1ccc(C[N@H+]2C[C@@H]3CCC[C@H](NC[C@H]4CCC[NH2+]4)[C@H]3C2)cc1 ZINC000423246637 296396694 /nfs/dbraw/zinc/39/66/94/296396694.db2.gz ZOVLMESHCHBWFD-YRPNKDGESA-N 2 0 313.489 2.629 20 0 DFADRP [NH3+]C1(C[NH2+]C(Cc2ccccc2)Cc2ccccc2)CCOCC1 ZINC000629387243 399590146 /nfs/dbraw/zinc/59/01/46/399590146.db2.gz GHZKIOKJXMPZHW-UHFFFAOYSA-N 2 0 324.468 2.938 20 0 DFADRP C[C@@H]([NH2+]CC[C@@H]1CC[NH2+]C1)c1nc2ccc(Cl)cc2n1C ZINC000423247711 296396814 /nfs/dbraw/zinc/39/68/14/296396814.db2.gz LPMCHYAOCQWGMT-NEPJUHHUSA-N 2 0 306.841 2.877 20 0 DFADRP COc1cccc(C[C@H]([NH2+]CC[C@@H]2CCC[NH2+]C2)C2CC2)c1 ZINC000423259766 296397660 /nfs/dbraw/zinc/39/76/60/296397660.db2.gz OUMMMIQUNGZQOK-KXBFYZLASA-N 2 0 302.462 2.996 20 0 DFADRP COC(=O)CCC[C@@H]1CCC[C@H]([NH2+][C@H]2CCCC[C@@H]2C[NH3+])C1 ZINC000423271483 296399274 /nfs/dbraw/zinc/39/92/74/296399274.db2.gz HPGGZLIYVFCPHN-YVSFHVDLSA-N 2 0 310.482 2.996 20 0 DFADRP C[C@@H]1[NH2+]CC[C@H]1NC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000629406603 399595134 /nfs/dbraw/zinc/59/51/34/399595134.db2.gz OQLMWNVXZHYSAV-SUMWQHHRSA-N 2 0 307.869 2.644 20 0 DFADRP C[NH2+]CCOCC[NH2+][C@@H]1CCC[C@@H]1c1ccc(OC(C)C)cc1 ZINC000629404157 399595365 /nfs/dbraw/zinc/59/53/65/399595365.db2.gz LAMIQLQUPPABDE-RTBURBONSA-N 2 0 320.477 2.936 20 0 DFADRP C[NH2+]C[C@@H](C)C[NH2+][C@@H](C)c1ccc(OC)c(Br)c1 ZINC000423265651 296398512 /nfs/dbraw/zinc/39/85/12/296398512.db2.gz CNYRVUDPLIWUPV-MNOVXSKESA-N 2 0 315.255 2.964 20 0 DFADRP Cc1cc(C[NH2+]CCOCCC[NH3+])ccc1Oc1cccnc1 ZINC000629399603 399594114 /nfs/dbraw/zinc/59/41/14/399594114.db2.gz IIGKOAOICUTLIR-UHFFFAOYSA-N 2 0 315.417 2.637 20 0 DFADRP C[C@H]([NH2+][C@H]1CCC[C@H]1C[NH3+])c1cccc(N2CCCC2=O)c1 ZINC000423284751 296401006 /nfs/dbraw/zinc/40/10/06/296401006.db2.gz YHNZGBVVRDQLDU-QRTARXTBSA-N 2 0 301.434 2.591 20 0 DFADRP CC(C)C[NH+]1CCC(NC(=O)c2ccc([C@@H](C)[NH3+])cc2)CC1 ZINC000423305807 296402584 /nfs/dbraw/zinc/40/25/84/296402584.db2.gz RQVPFDSTDHMUMV-CQSZACIVSA-N 2 0 303.450 2.557 20 0 DFADRP CCn1cc(C[NH2+][C@@H](C)c2ccc(OCC[NH+](C)C)cc2)cn1 ZINC000271552610 209006397 /nfs/dbraw/zinc/00/63/97/209006397.db2.gz WCBURBNQIQLVQZ-HNNXBMFYSA-N 2 0 316.449 2.694 20 0 DFADRP Cn1ccc([C@H]([NH2+]CC2(C)CC[NH2+]CC2)c2ccc(F)cc2)n1 ZINC000423317504 296403604 /nfs/dbraw/zinc/40/36/04/296403604.db2.gz BNYPNVLDDKIVGE-QGZVFWFLSA-N 2 0 316.424 2.628 20 0 DFADRP C[C@@H]([NH2+]C[C@@]1(C)CCC[NH2+]C1)c1ccc(OCC[NH+](C)C)cc1 ZINC000423326420 296404314 /nfs/dbraw/zinc/40/43/14/296404314.db2.gz KMTGYDMHCKIJIV-APWZRJJASA-N 3 0 319.493 2.667 20 0 DFADRP CC1(C[NH2+][C@@H](c2ncc[nH]2)c2ccc(F)cc2)CC[NH2+]CC1 ZINC000423316397 296403191 /nfs/dbraw/zinc/40/31/91/296403191.db2.gz APERCTYNVZMKHU-OAHLLOKOSA-N 2 0 302.397 2.618 20 0 DFADRP C[C@H]([NH2+][C@@H]1CO[C@H](C2CC2)C1)c1ccc(OCC[NH+](C)C)cc1 ZINC000624221890 399602176 /nfs/dbraw/zinc/60/21/76/399602176.db2.gz KLFVKCVWCWNNOA-FNHZYXHNSA-N 2 0 318.461 2.845 20 0 DFADRP COc1ccc(CCC[NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)cc1OC ZINC000155193069 197030958 /nfs/dbraw/zinc/03/09/58/197030958.db2.gz ICFKLQWHVYHGIG-GOEBONIOSA-N 2 0 306.450 2.709 20 0 DFADRP CC[C@@H]([NH2+][C@H](C)CN1CC[NH+](C)CC1)c1ccc(F)cc1F ZINC000155028130 197015163 /nfs/dbraw/zinc/01/51/63/197015163.db2.gz NKOSPPQZUYJABB-CXAGYDPISA-N 2 0 311.420 2.641 20 0 DFADRP C[C@@H]1C[NH2+]CC[C@H]1[NH2+][C@H]1CCCOc2cc3c(cc21)CCC3 ZINC000423385742 296411431 /nfs/dbraw/zinc/41/14/31/296411431.db2.gz GYZCOBTVPUXXMB-XWIAVFTESA-N 2 0 300.446 2.977 20 0 DFADRP COC[C@@H]([NH2+]CC1(SC)CC[NH+](C)CC1)C1CCCC1 ZINC000353627452 285234147 /nfs/dbraw/zinc/23/41/47/285234147.db2.gz WETNENBGGSFWIZ-OAHLLOKOSA-N 2 0 300.512 2.609 20 0 DFADRP COCC1(C[NH2+][C@H](C)[C@@H](C)c2ccc(OC)cc2)CC[NH2+]CC1 ZINC000423397322 296412535 /nfs/dbraw/zinc/41/25/35/296412535.db2.gz BVABUPSIDQBGFU-HZPDHXFCSA-N 2 0 320.477 2.793 20 0 DFADRP Fc1cc(C[NH2+]CC2CCN(c3cc[nH+]cc3)CC2)c(F)cn1 ZINC000294673909 224159751 /nfs/dbraw/zinc/15/97/51/224159751.db2.gz ARKZCETYPAGAMN-UHFFFAOYSA-N 2 0 318.371 2.761 20 0 DFADRP CCCCOc1ccc([C@@H](C)[NH2+]CCN2CC[C@@H](O)C2)cc1 ZINC000624231054 399606917 /nfs/dbraw/zinc/60/69/17/399606917.db2.gz OJZPKNREYVQMSM-NVXWUHKLSA-N 2 0 306.450 2.583 20 0 DFADRP CCC[C@H]([NH2+]C[C@@H]1C[NH2+]C[C@@H]1O)c1cccc(C(F)(F)F)c1 ZINC000423408536 296413394 /nfs/dbraw/zinc/41/33/94/296413394.db2.gz OUVNLGXFYAVUFO-QEJZJMRPSA-N 2 0 316.367 2.717 20 0 DFADRP C[C@H]([NH2+]CCN1CC[C@@H](O)C1)c1ccc(F)c2ccccc21 ZINC000624231237 399607056 /nfs/dbraw/zinc/60/70/56/399607056.db2.gz UCMBPACAYBXBHC-UONOGXRCSA-N 2 0 302.393 2.696 20 0 DFADRP CC(C)CC[C@H]([NH2+]C[C@H]1C[NH2+]C[C@@H]1O)c1ccc(Cl)cc1 ZINC000423407196 296413578 /nfs/dbraw/zinc/41/35/78/296413578.db2.gz LWSCBKRRMPBSLH-PVAVHDDUSA-N 2 0 310.869 2.987 20 0 DFADRP COCC1(C[NH2+][C@H](c2ccc(F)cc2)C2CC2)CC[NH2+]CC1 ZINC000423412309 296414135 /nfs/dbraw/zinc/41/41/35/296414135.db2.gz WNLPNFBJZCBPAP-KRWDZBQOSA-N 2 0 306.425 2.883 20 0 DFADRP Cc1ccc(C[C@H]([NH2+]C[C@@H]2C[NH2+]C[C@@H]2O)c2ccc(C)cc2)cc1 ZINC000423412139 296414158 /nfs/dbraw/zinc/41/41/58/296414158.db2.gz WHGZEKALDLNNEP-ACRUOGEOSA-N 2 0 324.468 2.757 20 0 DFADRP COCC1(C[NH2+][C@@H](C)c2cnc3ccsc3c2)CC[NH2+]CC1 ZINC000423411829 296414222 /nfs/dbraw/zinc/41/42/22/296414222.db2.gz VJFKMQSMEGRYKA-ZDUSSCGKSA-N 2 0 319.474 2.963 20 0 DFADRP C[C@@H]([NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1)c1ccc(-n2ccnc2)cc1 ZINC000423421769 296415130 /nfs/dbraw/zinc/41/51/30/296415130.db2.gz AWYZLGKPTDPUTE-MDASCCDHSA-N 2 0 310.445 2.911 20 0 DFADRP Brc1ccccc1C[C@@H]([NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21)C1CC1 ZINC000423441315 296417097 /nfs/dbraw/zinc/41/70/97/296417097.db2.gz YDWOKFUHZWBUST-CLWVCHIJSA-N 2 0 321.262 2.578 20 0 DFADRP O=C(NCCC[C@@H]1CCC[NH2+]1)c1cccc(C[NH+]2CCCC2)c1 ZINC000294822044 224245329 /nfs/dbraw/zinc/24/53/29/224245329.db2.gz KRWGQJGBVVDAQR-SFHVURJKSA-N 2 0 315.461 2.544 20 0 DFADRP C[C@@H]([NH2+]C[C@H]1CC[C@H](C[NH3+])CC1)c1nc2ccccc2n1C ZINC000423431428 296416163 /nfs/dbraw/zinc/41/61/63/296416163.db2.gz VHKOFJKUTWXKMG-RBSFLKMASA-N 2 0 300.450 2.989 20 0 DFADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)[C@H]1C[C@@]1(C)C(C)C ZINC000356445174 285248345 /nfs/dbraw/zinc/24/83/45/285248345.db2.gz JBTQLKSZJNQHFW-LMMKCTJWSA-N 2 0 323.525 2.543 20 0 DFADRP C[N@@H+]1CCC[C@@H](NC(=O)c2ccc(Nc3cc[nH+]cc3)cc2)C1 ZINC000073434123 542464491 /nfs/dbraw/zinc/46/44/91/542464491.db2.gz RPVLMJPOANSEMC-QGZVFWFLSA-N 2 0 310.401 2.649 20 0 DFADRP O=C1CC[C@@H]([NH2+]CCC[C@@H]2CCC[NH2+]2)c2cc(F)ccc2N1 ZINC000423466453 296418895 /nfs/dbraw/zinc/41/88/95/296418895.db2.gz AOXISZXJPZTHOC-DZGCQCFKSA-N 2 0 305.397 2.721 20 0 DFADRP COc1cc2c(cc1F)CC[C@H]2[NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000423450658 296417531 /nfs/dbraw/zinc/41/75/31/296417531.db2.gz XJTHUWDXQOAMOA-IAOVAPTHSA-N 2 0 304.409 2.799 20 0 DFADRP Fc1ccc([C@@H]([NH2+]CCC[C@H]2CCC[NH2+]2)c2cnccn2)cc1 ZINC000423475497 296419632 /nfs/dbraw/zinc/41/96/32/296419632.db2.gz IBWNEGYLSDWZFP-SJLPKXTDSA-N 2 0 314.408 2.827 20 0 DFADRP C[C@H]([NH2+]CCC(=O)N1CCC[C@H]1C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000347934556 285255233 /nfs/dbraw/zinc/25/52/33/285255233.db2.gz OYBWJHCPOCUKIY-IKGGRYGDSA-N 2 0 321.509 2.630 20 0 DFADRP COc1ccc([C@H](NCCC[C@H]2CCC[NH2+]2)[C@@H]2CCC[NH2+]2)cc1 ZINC000423473040 296419337 /nfs/dbraw/zinc/41/93/37/296419337.db2.gz GKISXCLPQDBXBN-NEWSRXKRSA-N 2 0 317.477 2.610 20 0 DFADRP [NH3+]C[C@@H]1CC[C@@H]([NH2+]C2CCN(c3ccc(F)cc3F)CC2)C1 ZINC000423496060 296422167 /nfs/dbraw/zinc/42/21/67/296422167.db2.gz VZNOMZNIFMLOSJ-IUODEOHRSA-N 2 0 309.404 2.651 20 0 DFADRP COc1cc(NC(C)=O)ccc1[C@H](C)[NH2+]CCC1=CC[NH2+]CC1 ZINC000423534773 296427614 /nfs/dbraw/zinc/42/76/14/296427614.db2.gz AWHXWKFJNXGPTH-ZDUSSCGKSA-N 2 0 317.433 2.614 20 0 DFADRP Fc1ccc([C@@H]([NH2+]CCC2=CC[NH2+]CC2)c2cnccn2)cc1 ZINC000423539770 296427796 /nfs/dbraw/zinc/42/77/96/296427796.db2.gz PGVKVHLBXJJHEK-GOSISDBHSA-N 2 0 312.392 2.605 20 0 DFADRP CCO[C@@H]1C[C@H]([NH2+]CCC2=CC[NH2+]CC2)[C@H]1Oc1ccccc1 ZINC000423536911 296427807 /nfs/dbraw/zinc/42/78/07/296427807.db2.gz IOZBVTUJDTYFDG-IPMKNSEASA-N 2 0 316.445 2.511 20 0 DFADRP c1ccc2c(c1)CCSC[C@@H]2[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000423539515 296427838 /nfs/dbraw/zinc/42/78/38/296427838.db2.gz IMHAHINOTJTVJL-KONPQCLYSA-N 2 0 302.487 2.995 20 0 DFADRP CCOC(=O)[C@H]1CC[C@@H]([NH2+]CCC[NH2+]C2CC2)c2ccccc21 ZINC000423557708 296429393 /nfs/dbraw/zinc/42/93/93/296429393.db2.gz NNXJCDNCQNVVJX-ZWKOTPCHSA-N 2 0 316.445 2.900 20 0 DFADRP CC[C@H]([NH2+]C[C@@H](C)CN1CC[NH+](C)CC1)c1cccc(OC)c1 ZINC000120840533 195248213 /nfs/dbraw/zinc/24/82/13/195248213.db2.gz KVHCJXPAWMUYQY-APWZRJJASA-N 2 0 319.493 2.619 20 0 DFADRP COC(=O)CCC[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)C1 ZINC000423563265 296429686 /nfs/dbraw/zinc/42/96/86/296429686.db2.gz XBFYPIHJYZHBEQ-OBVSXPTNSA-N 2 0 322.493 2.866 20 0 DFADRP CC(C)[C@@H](C)[NH+]1CCN(CC[N@H+](C)Cc2ccccc2)CC1 ZINC000682075138 545791326 /nfs/dbraw/zinc/79/13/26/545791326.db2.gz RJJYTDBOAHIWNB-GOSISDBHSA-N 2 0 303.494 2.781 20 0 DFADRP C[C@H]([NH2+]C[C@@]1(C)CCOC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000347991102 285287082 /nfs/dbraw/zinc/28/70/82/285287082.db2.gz BNVGWIOZVCZUGX-YTQUADARSA-N 2 0 302.462 2.913 20 0 DFADRP COCC[C@H](C)[NH2+]CCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000271572792 209023504 /nfs/dbraw/zinc/02/35/04/209023504.db2.gz AIOISYXXHDEARH-KRWDZBQOSA-N 2 0 320.477 2.718 20 0 DFADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@@H](O)c2ccc(Cl)c(F)c2)[C@H](C)C1 ZINC000271578111 209028439 /nfs/dbraw/zinc/02/84/39/209028439.db2.gz WMILDRSYZXHZBE-XFBWCDHKSA-N 2 0 314.832 2.832 20 0 DFADRP C[C@@H]([NH2+][C@@H]1CCO[C@H](C)C1)c1ccc(OCC[NH+](C)C)cc1 ZINC000271603256 209051631 /nfs/dbraw/zinc/05/16/31/209051631.db2.gz ZUWBXNKARRQMAU-BFYDXBDKSA-N 2 0 306.450 2.845 20 0 DFADRP C[C@H]([NH2+][C@H]1CCO[C@H](C)C1)c1ccc(OCC[NH+](C)C)cc1 ZINC000271603272 209052077 /nfs/dbraw/zinc/05/20/77/209052077.db2.gz ZUWBXNKARRQMAU-VYDXJSESSA-N 2 0 306.450 2.845 20 0 DFADRP COCCOCc1ccc(C[NH2+][C@@H]2CCC[C@@H]([NH+](C)C)C2)cc1 ZINC000289528934 221043819 /nfs/dbraw/zinc/04/38/19/221043819.db2.gz BSPPRZQWJPBEBF-RTBURBONSA-N 2 0 320.477 2.812 20 0 DFADRP CCn1cc([C@H](C)[NH2+]Cc2ccc(F)c(C[NH+](C)C)c2)cn1 ZINC000120929881 195266826 /nfs/dbraw/zinc/26/68/26/195266826.db2.gz UPKNOSSTJZUMTJ-ZDUSSCGKSA-N 2 0 304.413 2.955 20 0 DFADRP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)NCc1ccccc1C[NH+](CC)CC ZINC000289833872 221257533 /nfs/dbraw/zinc/25/75/33/221257533.db2.gz DSEUUTJCTFZDND-ROUUACIJSA-N 2 0 317.477 2.533 20 0 DFADRP CC[C@@H]1[NH2+]CC[C@H]1NC1CC[NH+]([C@@H](C)Cc2ccccc2)CC1 ZINC000629528408 399636350 /nfs/dbraw/zinc/63/63/50/399636350.db2.gz YORMWITXKWRMEP-FFZOFVMBSA-N 2 0 315.505 2.812 20 0 DFADRP CCOc1ccc(Cl)cc1[C@@H](C)[NH2+]CCOCC[NH2+]C ZINC000629529113 399636723 /nfs/dbraw/zinc/63/67/23/399636723.db2.gz RWMNJQAVQZDAJK-GFCCVEGCSA-N 2 0 300.830 2.625 20 0 DFADRP CC[C@H]([NH2+]CCOCC[NH2+]C)c1cc(Cl)ccc1OC ZINC000629528993 399636962 /nfs/dbraw/zinc/63/69/62/399636962.db2.gz ORLBNBIPXDRDLW-AWEZNQCLSA-N 2 0 300.830 2.625 20 0 DFADRP CC[C@@H]1[NH2+]CC[C@H]1C(=O)Nc1cccc(C[NH+]2CCCCC2)c1 ZINC000289967547 221347370 /nfs/dbraw/zinc/34/73/70/221347370.db2.gz NERKVTNYCXUGTB-MSOLQXFVSA-N 2 0 315.461 2.999 20 0 DFADRP CC[C@H]([NH2+]CCOCCC[NH3+])c1cccc(Br)c1 ZINC000629535095 399638850 /nfs/dbraw/zinc/63/88/50/399638850.db2.gz CQZYSCSTJKNDET-AWEZNQCLSA-N 2 0 315.255 2.855 20 0 DFADRP C[C@@H]([NH2+]CCOCCC[NH3+])[C@@H](C)c1nc2ccccc2s1 ZINC000629534901 399638866 /nfs/dbraw/zinc/63/88/66/399638866.db2.gz BYNLEJWUBSSPNO-CHWSQXEVSA-N 2 0 307.463 2.743 20 0 DFADRP C[C@@H]1CC[C@H](N[C@H]2CCC[N@H+](Cc3ccccc3)[C@H]2C)C[NH2+]1 ZINC000629538424 399640166 /nfs/dbraw/zinc/64/01/66/399640166.db2.gz JOLSHYUCANASRN-NEPXVJNWSA-N 2 0 301.478 2.770 20 0 DFADRP [NH3+]C[C@@H]1CN(CCOc2ccccc2)CC[C@@H]1C(F)(F)F ZINC000629566159 399652655 /nfs/dbraw/zinc/65/26/55/399652655.db2.gz MKGWEZQTLNFYIL-OCCSQVGLSA-N 2 0 302.340 2.525 20 0 DFADRP O[C@@H](C[NH2+][C@@H]1C[C@H]1c1cccc2ccccc21)C[NH+]1CCCC1 ZINC000629577874 399653309 /nfs/dbraw/zinc/65/33/09/399653309.db2.gz DSMGQHLSMVHVFD-FFZOFVMBSA-N 2 0 310.441 2.742 20 0 DFADRP C[N@H+](CCOCC[NH3+])Cc1ccccc1Oc1ccccc1 ZINC000629578848 399653458 /nfs/dbraw/zinc/65/34/58/399653458.db2.gz VVNAYFKCEIBHKF-UHFFFAOYSA-N 2 0 300.402 2.886 20 0 DFADRP CC(C)c1ccc(O[C@H](C)C[NH2+]C[C@@H](O)C[NH+]2CCCC2)cc1 ZINC000629581113 399653932 /nfs/dbraw/zinc/65/39/32/399653932.db2.gz NMHSBGBXUCKOGE-SJLPKXTDSA-N 2 0 320.477 2.624 20 0 DFADRP CCC(CC)(C[NH2+]C[C@@H](O)C[NH+]1CCCC1)c1ccc(F)cc1 ZINC000629585271 399656233 /nfs/dbraw/zinc/65/62/33/399656233.db2.gz PESMLIJVMQBZRR-GOSISDBHSA-N 2 0 322.468 2.930 20 0 DFADRP CC[C@@H](CC(F)F)C[NH+]1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000629591562 399657919 /nfs/dbraw/zinc/65/79/19/399657919.db2.gz JIMDYSGOCHNVOM-ZFWWWQNUSA-N 2 0 304.425 2.758 20 0 DFADRP CC(C)CC[C@@H]1CC[C@H]([NH2+]Cc2cn([C@@H]3CC[NH2+]C3)nn2)C1 ZINC000629549766 399644991 /nfs/dbraw/zinc/64/49/91/399644991.db2.gz LHAQFLOMLWURJR-HLLBOEOZSA-N 2 0 305.470 2.507 20 0 DFADRP FC(F)(F)C1(C[NH2+][C@@H]2CCOC[C@H]2[C@H]2CCC[NH2+]2)CCCC1 ZINC000629550581 399645238 /nfs/dbraw/zinc/64/52/38/399645238.db2.gz NXUHKZQFRDHDGL-BFHYXJOUSA-N 2 0 320.399 2.856 20 0 DFADRP COC[C@H](CCC[NH3+])[NH2+]Cc1ccccc1CC(F)(F)F ZINC000629554615 399646642 /nfs/dbraw/zinc/64/66/42/399646642.db2.gz KVFOZMVWCCAGKI-AWEZNQCLSA-N 2 0 304.356 2.635 20 0 DFADRP Cc1nc(C)c(CN2CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)s1 ZINC000629564085 399651144 /nfs/dbraw/zinc/65/11/44/399651144.db2.gz RJSDGNVJQJZBQJ-QWRGUYRKSA-N 2 0 307.385 2.719 20 0 DFADRP Cc1ccc(CN2CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C2)c(C)n1 ZINC000629564569 399651360 /nfs/dbraw/zinc/65/13/60/399651360.db2.gz SSDBOGFQZWGGCU-UONOGXRCSA-N 2 0 301.356 2.658 20 0 DFADRP COc1ccc(C)cc1CN1CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000629567661 399652093 /nfs/dbraw/zinc/65/20/93/399652093.db2.gz PRTPUSATKXQICA-UONOGXRCSA-N 2 0 316.367 2.963 20 0 DFADRP C[N@H+](CCOCC[NH3+])Cc1ccc(F)c(-c2cccs2)c1 ZINC000629663165 399681187 /nfs/dbraw/zinc/68/11/87/399681187.db2.gz KGULESWFWMTNHJ-UHFFFAOYSA-N 2 0 308.422 2.961 20 0 DFADRP C[N@H+](CCCC[NH+]1CCCCC1)CC[S@@](=O)c1ccccc1 ZINC000603112211 399684047 /nfs/dbraw/zinc/68/40/47/399684047.db2.gz UVIAMVWVJMHFQT-JOCHJYFZSA-N 2 0 322.518 2.992 20 0 DFADRP C[NH2+]CCOCC[N@H+](C)Cc1cccc(OC2CCCC2)c1 ZINC000629652595 399676348 /nfs/dbraw/zinc/67/63/48/399676348.db2.gz JBAFBWQFYCHIJH-UHFFFAOYSA-N 2 0 306.450 2.676 20 0 DFADRP Cc1cc(C[NH3+])ccc1-c1ccccc1C[NH+]1CCN(C)CC1 ZINC000629735496 399707517 /nfs/dbraw/zinc/70/75/17/399707517.db2.gz ZDPMUZTTYWIKED-UHFFFAOYSA-N 2 0 309.457 2.868 20 0 DFADRP Cc1ccc(C[C@@H](C[NH3+])CO)cc1-c1ccc([C@H](C)[NH3+])c(F)c1 ZINC000629737850 399708810 /nfs/dbraw/zinc/70/88/10/399708810.db2.gz NFQPGLCTBKCAKM-ZFWWWQNUSA-N 2 0 316.420 2.931 20 0 DFADRP C[NH+](C)Cc1cc(-c2cccc(C[C@@H](C[NH3+])CO)c2)ccc1F ZINC000629738529 399710144 /nfs/dbraw/zinc/71/01/44/399710144.db2.gz NTWCZMXJRHLEBT-HNNXBMFYSA-N 2 0 316.420 2.664 20 0 DFADRP C[NH+](C)Cc1cc(-c2nc3c(s2)C[C@@H]([NH3+])CC3)ccc1F ZINC000629738304 399710421 /nfs/dbraw/zinc/71/04/21/399710421.db2.gz MCPGIYAQLHULIF-LBPRGKRZSA-N 2 0 305.422 2.827 20 0 DFADRP COC1(C[NH2+]C2CC[NH+]([C@H]3CCCC[C@@H]3C)CC2)CCOCC1 ZINC000090650847 542538068 /nfs/dbraw/zinc/53/80/68/542538068.db2.gz DNVNYMCDDUCCIK-WMZOPIPTSA-N 2 0 324.509 2.815 20 0 DFADRP CCCCCC(=O)NC1CC[NH+](CC[C@H]2CCC[N@@H+]2C)CC1 ZINC000348082275 285335217 /nfs/dbraw/zinc/33/52/17/285335217.db2.gz YFVJHPSBROHZPK-QGZVFWFLSA-N 2 0 309.498 2.632 20 0 DFADRP Cc1cccc(Cl)c1C[N@H+](C)CCCN1CC[NH+](C)CC1 ZINC000295035030 224393370 /nfs/dbraw/zinc/39/33/70/224393370.db2.gz WANHHGIUOXJJBU-UHFFFAOYSA-N 2 0 309.885 2.718 20 0 DFADRP C[N@@H+](Cc1ncccc1C(F)(F)F)CC1CC[NH+](C)CC1 ZINC000093088680 542551393 /nfs/dbraw/zinc/55/13/93/542551393.db2.gz JZHOLLQTIJZYPC-UHFFFAOYSA-N 2 0 301.356 2.874 20 0 DFADRP [NH3+]CCCOC1CC[NH+](CCSc2ccc(F)cc2)CC1 ZINC000094072665 542555372 /nfs/dbraw/zinc/55/53/72/542555372.db2.gz KTPHUVLHBBPONT-UHFFFAOYSA-N 2 0 312.454 2.748 20 0 DFADRP CC[C@H]1CC[C@@H]1[NH2+]CCN1CC[NH+](Cc2ccccc2)CC1 ZINC000348089270 285339521 /nfs/dbraw/zinc/33/95/21/285339521.db2.gz SRUMWBCUBRMMAM-OALUTQOASA-N 2 0 301.478 2.582 20 0 DFADRP C[C@H]([NH3+])c1ccc(C(=O)NC2CCC(C[NH+](C)C)CC2)cc1 ZINC000423745353 296443076 /nfs/dbraw/zinc/44/30/76/296443076.db2.gz MIDATVAUFKQERL-CBCUQQMYSA-N 2 0 303.450 2.557 20 0 DFADRP C[C@@H]([NH3+])c1ccc(C(=O)NC2CCC(C[NH+](C)C)CC2)cc1 ZINC000423745354 296443124 /nfs/dbraw/zinc/44/31/24/296443124.db2.gz MIDATVAUFKQERL-TUBUQKNSSA-N 2 0 303.450 2.557 20 0 DFADRP C[NH+](C)Cc1cccc(C[NH2+][C@@H]2CCO[C@@H](C(F)(F)F)C2)c1 ZINC000348098342 285346741 /nfs/dbraw/zinc/34/67/41/285346741.db2.gz ARUNVVHFLZOQEK-HUUCEWRRSA-N 2 0 316.367 2.948 20 0 DFADRP C[C@H]([NH2+][C@H]1CCc2c[nH]nc2C1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000348099292 285347561 /nfs/dbraw/zinc/34/75/61/285347561.db2.gz WQIIVEKMDFJVJP-SNRMKQJTSA-N 2 0 324.472 2.767 20 0 DFADRP COc1ccc(OC(F)F)c(CN(C)C[C@@H]2CC[N@H+](C)C2)c1 ZINC000120955789 195270555 /nfs/dbraw/zinc/27/05/55/195270555.db2.gz UXDMPWQGUWQXMA-GFCCVEGCSA-N 2 0 314.376 2.680 20 0 DFADRP C[C@]1(C(=O)Nc2cccc(CC[NH+]3CCCC3)c2)CCCC[NH2+]1 ZINC000423770108 296445500 /nfs/dbraw/zinc/44/55/00/296445500.db2.gz HDPSMBDGQCLBDS-LJQANCHMSA-N 2 0 315.461 2.796 20 0 DFADRP Cc1cc(C[N@@H+](C)CC2CC[NH+](C[C@H](C)O)CC2)ccc1F ZINC000121113298 195294881 /nfs/dbraw/zinc/29/48/81/195294881.db2.gz OMARNPKGANROAF-HNNXBMFYSA-N 2 0 308.441 2.659 20 0 DFADRP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@@H]2CCc3ccccc32)CC1 ZINC000121167882 195301789 /nfs/dbraw/zinc/30/17/89/195301789.db2.gz XLWQJTJKZSTMOB-VQIMIIECSA-N 2 0 301.478 2.537 20 0 DFADRP Cc1cc(C[NH+](C)C)cc(NC(=O)[C@@H]2CCCC[C@@]2(C)[NH3+])c1 ZINC000423779663 296446796 /nfs/dbraw/zinc/44/67/96/296446796.db2.gz FMLSJBWHMWBAEL-FUHWJXTLSA-N 2 0 303.450 2.903 20 0 DFADRP CC(C)N(C(=O)C[NH+]1CCC(CC[NH+](C)C)CC1)C1CCCC1 ZINC000121617248 195316952 /nfs/dbraw/zinc/31/69/52/195316952.db2.gz FHRBXUOKOCAYSF-UHFFFAOYSA-N 2 0 323.525 2.830 20 0 DFADRP C[C@H]([NH2+][C@H]1C[C@H](C)N(Cc2ccccc2)C1)C1CC[NH+](C)CC1 ZINC000120068470 542576887 /nfs/dbraw/zinc/57/68/87/542576887.db2.gz MPUMBUNHCSMFDP-ZWOKBUDYSA-N 2 0 315.505 2.969 20 0 DFADRP CC[N@H+](CCOC1CCOCC1)Cc1ccc(C[NH+](C)C)cc1 ZINC000626063420 399742868 /nfs/dbraw/zinc/74/28/68/399742868.db2.gz COSQGDSIFWEFJS-UHFFFAOYSA-N 2 0 320.477 2.766 20 0 DFADRP COCCCC[N@@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000309949324 533257446 /nfs/dbraw/zinc/25/74/46/533257446.db2.gz FICYPLSOJPCGPU-RBUKOAKNSA-N 2 0 302.462 2.867 20 0 DFADRP C[NH2+]CCCC(=O)Nc1cccc(CC[NH+]2CCC(C)CC2)c1 ZINC000423854246 296456888 /nfs/dbraw/zinc/45/68/88/296456888.db2.gz VLFNEWCFVDCSJB-UHFFFAOYSA-N 2 0 317.477 2.899 20 0 DFADRP CO[C@@H](Cc1ccccc1)C[N@@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000296673778 533377770 /nfs/dbraw/zinc/37/77/70/533377770.db2.gz HGSLHYAVCSQGKB-RBUKOAKNSA-N 2 0 302.462 2.662 20 0 DFADRP CCC1([NH+]2CCOCC2)CCN(c2[nH+]ccc3[nH]ccc32)CC1 ZINC000624704449 399752447 /nfs/dbraw/zinc/75/24/47/399752447.db2.gz UHRPVXMJRUJDIX-UHFFFAOYSA-N 2 0 314.433 2.644 20 0 DFADRP CCc1cc(N2CCC(CC)([NH+]3CCOCC3)CC2)cc[nH+]1 ZINC000624704182 399752651 /nfs/dbraw/zinc/75/26/51/399752651.db2.gz OWTOABGZGAQLDY-UHFFFAOYSA-N 2 0 303.450 2.725 20 0 DFADRP COC(=O)Nc1ccc(CC[NH2+][C@@H]2CCCCC[C@@H]2[NH3+])cc1 ZINC000496135400 300020188 /nfs/dbraw/zinc/02/01/88/300020188.db2.gz VVVZYKXEUHHVFY-JKSUJKDBSA-N 2 0 305.422 2.657 20 0 DFADRP C[NH+]1CCC(C)(C[NH2+]Cc2ccc(N3CCCC3)nc2)CC1 ZINC000272531485 130038766 /nfs/dbraw/zinc/03/87/66/130038766.db2.gz KCXGDPAQKUYVBD-UHFFFAOYSA-N 2 0 302.466 2.503 20 0 DFADRP COc1cccc(O[C@@H](C)C[NH2+][C@@H](C)C2CC[NH+](C)CC2)c1 ZINC000125214318 542600642 /nfs/dbraw/zinc/60/06/42/542600642.db2.gz WDEBFSVJHUHILS-GJZGRUSLSA-N 2 0 306.450 2.782 20 0 DFADRP CCCc1ccc(C[NH2+]C[C@@H](C)CN2CC[NH+](C)CC2)s1 ZINC000621333599 399757542 /nfs/dbraw/zinc/75/75/42/399757542.db2.gz JVTIVESXDNZESL-OAHLLOKOSA-N 2 0 309.523 2.674 20 0 DFADRP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)C[NH+](C)C2CCC2)C1 ZINC000629961025 399770579 /nfs/dbraw/zinc/77/05/79/399770579.db2.gz GSARFIJDXXMNNO-IAGOWNOFSA-N 2 0 321.509 2.584 20 0 DFADRP CCc1ccccc1[C@@H]([NH3+])CNC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC000423937191 296468031 /nfs/dbraw/zinc/46/80/31/296468031.db2.gz GAXVUFKMKORGDN-QAPCUYQASA-N 2 0 317.477 2.630 20 0 DFADRP C[C@H](C(=O)N[C@@H](CCC[NH3+])c1ccccc1)[NH+]1CCCCCC1 ZINC000423967438 296469701 /nfs/dbraw/zinc/46/97/01/296469701.db2.gz JJMWFKARQZPILE-AEFFLSMTSA-N 2 0 317.477 2.847 20 0 DFADRP CC[C@H](C(=O)N[C@H](CCC[NH3+])c1ccccc1)[NH+](CC)CC ZINC000423972913 296470536 /nfs/dbraw/zinc/47/05/36/296470536.db2.gz PUAHXWGDIXWPFV-IAGOWNOFSA-N 2 0 305.466 2.703 20 0 DFADRP CN(c1ccccc1C[NH2+]Cc1ccccn1)C1CC[NH+](C)CC1 ZINC000132687540 542642986 /nfs/dbraw/zinc/64/29/86/542642986.db2.gz PBNOQJZSRQDIMA-UHFFFAOYSA-N 2 0 324.472 2.902 20 0 DFADRP CC[C@@H](C(=O)Nc1nc(C2CC[NH2+]CC2)cs1)[NH+](CC)CC ZINC000423979233 296471082 /nfs/dbraw/zinc/47/10/82/296471082.db2.gz OVAKEFKZNQDXFA-AWEZNQCLSA-N 2 0 324.494 2.669 20 0 DFADRP C[C@@H]([NH2+]C[C@@H]1CCN(c2ccc(F)cc2)C1)C1CC[NH+](C)CC1 ZINC000152821737 542679105 /nfs/dbraw/zinc/67/91/05/542679105.db2.gz LLFQLIRSHOEZFZ-CVEARBPZSA-N 2 0 319.468 2.972 20 0 DFADRP C[C@H]([NH2+]Cc1ccc(-n2ccnc2)c(F)c1)C1CC[NH+](C)CC1 ZINC000153680623 542684303 /nfs/dbraw/zinc/68/43/03/542684303.db2.gz APROSNYYLUSVKR-AWEZNQCLSA-N 2 0 316.424 2.831 20 0 DFADRP CCOc1ccc(C[NH2+][C@H](C)C2CC[NH+](C)CC2)cc1OC ZINC000153870101 542685247 /nfs/dbraw/zinc/68/52/47/542685247.db2.gz WXDZCQDPLQUUIF-CQSZACIVSA-N 2 0 306.450 2.914 20 0 DFADRP CCOc1ccc(C[NH2+][C@@H](C)C2CC[NH+](C)CC2)cc1OC ZINC000153870008 542685439 /nfs/dbraw/zinc/68/54/39/542685439.db2.gz WXDZCQDPLQUUIF-AWEZNQCLSA-N 2 0 306.450 2.914 20 0 DFADRP C[NH2+]CC1CCN(C(=O)CC[C@@H]([NH3+])CC2CCCCC2)CC1 ZINC000424078037 296483480 /nfs/dbraw/zinc/48/34/80/296483480.db2.gz OZXPJPKRWQNMJN-QGZVFWFLSA-N 2 0 309.498 2.522 20 0 DFADRP COC[C@@H]([NH2+]Cc1ccc(OCC[NH+]2CCCC2)cc1)C1CC1 ZINC000161942320 542734364 /nfs/dbraw/zinc/73/43/64/542734364.db2.gz NTXGCBGKRSKMFI-LJQANCHMSA-N 2 0 318.461 2.676 20 0 DFADRP C[C@@H]([NH2+]Cc1cccc(OCC[NH+](C)C)c1)C1CCOCC1 ZINC000162601464 542738314 /nfs/dbraw/zinc/73/83/14/542738314.db2.gz VHLMFASSEJIVER-OAHLLOKOSA-N 2 0 306.450 2.532 20 0 DFADRP CCC[NH+]1CCC([NH2+]CCN2c3ccccc3C[C@@H]2C)CC1 ZINC000162721452 542739514 /nfs/dbraw/zinc/73/95/14/542739514.db2.gz SOSPFMIUFUXCIS-INIZCTEOSA-N 2 0 301.478 2.902 20 0 DFADRP COc1ccc([C@@H](C)[C@H](C)[NH2+]CCN2CCC(OC)CC2)cc1 ZINC000163702872 542743071 /nfs/dbraw/zinc/74/30/71/542743071.db2.gz SNIZTIVRUJVCON-HOTGVXAUSA-N 2 0 320.477 2.888 20 0 DFADRP CCC[NH+]1CCC(NCc2cccc(OCC[NH+](C)C)c2)CC1 ZINC000162528358 542737694 /nfs/dbraw/zinc/73/76/94/542737694.db2.gz HDLVXLWSNGFDEU-UHFFFAOYSA-N 2 0 319.493 2.591 20 0 DFADRP C[NH+](C)[C@H](CN[C@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccc(F)cc1 ZINC000166232929 542749859 /nfs/dbraw/zinc/74/98/59/542749859.db2.gz ZNXRIXXTNGPFSW-RCCFBDPRSA-N 2 0 305.441 2.645 20 0 DFADRP COc1ccc(CCC[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1OC ZINC000166325654 542752010 /nfs/dbraw/zinc/75/20/10/542752010.db2.gz LIZDMCSWEQLGCI-IAGOWNOFSA-N 2 0 318.461 2.853 20 0 DFADRP COc1ccc(COCCC[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000166467671 542752035 /nfs/dbraw/zinc/75/20/35/542752035.db2.gz FKYCVDLFRFYYNG-QZTJIDSGSA-N 2 0 318.461 2.818 20 0 DFADRP C(C1CCCC1)[NH+]1CCC(N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000166388875 542752154 /nfs/dbraw/zinc/75/21/54/542752154.db2.gz JOLNBSKFBSPZFI-RBUKOAKNSA-N 2 0 305.510 2.857 20 0 DFADRP C[C@@H](CCNC(=O)c1cccc(C[NH+]2CCCCC2)c1)[NH+](C)C ZINC000617762438 399793699 /nfs/dbraw/zinc/79/36/99/399793699.db2.gz PACALDIHHLRPEM-INIZCTEOSA-N 2 0 317.477 2.743 20 0 DFADRP C[C@H]([NH2+][C@H]1CCN(c2c(F)cccc2F)C1)C1CC[NH+](C)CC1 ZINC000167515540 542753671 /nfs/dbraw/zinc/75/36/71/542753671.db2.gz DNFXYRQDOKATHW-ZFWWWQNUSA-N 2 0 323.431 2.863 20 0 DFADRP CCC(CC)(CNC(=O)[C@H](C)C[NH2+]C)[NH2+][C@H](C)c1ccccc1 ZINC000168760006 542754311 /nfs/dbraw/zinc/75/43/11/542754311.db2.gz SWTOTNGZKYZYEA-HZPDHXFCSA-N 2 0 319.493 2.868 20 0 DFADRP C[NH+](C)CCOc1cccc(-c2cccc3c2C[C@@H]2[C@H]([NH3+])[C@H]32)c1 ZINC000630051911 399802048 /nfs/dbraw/zinc/80/20/48/399802048.db2.gz SMQRVEXDAJYNRS-ZCNNSNEGSA-N 2 0 308.425 2.891 20 0 DFADRP CC(C)n1cncc1C[NH2+]Cc1ccc(OCC[NH+](C)C)cc1 ZINC000424125603 296486463 /nfs/dbraw/zinc/48/64/63/296486463.db2.gz AIZCTVOMRGXJEK-UHFFFAOYSA-N 2 0 316.449 2.694 20 0 DFADRP CCC1([NH+](C)C)CCN(C(=O)Nc2ccccc2C[NH2+]C)CC1 ZINC000632948061 399803796 /nfs/dbraw/zinc/80/37/96/399803796.db2.gz FBNGFNJOEJYTPM-UHFFFAOYSA-N 2 0 318.465 2.744 20 0 DFADRP CCC[NH+](CCC)CCCC(=O)N1CC2(C[C@@H]1C)CC[NH2+]CC2 ZINC000424245720 296495319 /nfs/dbraw/zinc/49/53/19/296495319.db2.gz UXLOGVIZTXPCPQ-KRWDZBQOSA-N 2 0 323.525 2.879 20 0 DFADRP C[C@H]1CCC[N@H+](Cc2ccccc2CNC(=O)CC(C)(C)[NH3+])C1 ZINC000237503632 542903283 /nfs/dbraw/zinc/90/32/83/542903283.db2.gz NBTRFTOWKKLKRG-HNNXBMFYSA-N 2 0 317.477 2.662 20 0 DFADRP [NH3+]C[C@H](CN1CCC[C@H]1C[NH+]1CCCCC1)c1ccc(F)cc1 ZINC000424301925 296500023 /nfs/dbraw/zinc/50/00/23/296500023.db2.gz LKQPLAPVXRIWPH-MJGOQNOKSA-N 2 0 319.468 2.818 20 0 DFADRP CCC[NH+]1CCC(N(C)C(=O)Nc2cc(C)cc(C[NH3+])c2)CC1 ZINC000424437154 296509735 /nfs/dbraw/zinc/50/97/35/296509735.db2.gz NTHHWYCXWKRURH-UHFFFAOYSA-N 2 0 318.465 2.792 20 0 DFADRP Cc1cc(C[NH3+])cc(NC(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)c1 ZINC000424438877 296509741 /nfs/dbraw/zinc/50/97/41/296509741.db2.gz QULSZUDQILRLSP-MRXNPFEDSA-N 2 0 320.481 2.942 20 0 DFADRP COc1cc2c(cc1OC)[C@@H]([NH2+]C1C[C@H]3CC[C@@H](C1)[N@H+]3C)CC2 ZINC000296651688 543035939 /nfs/dbraw/zinc/03/59/39/543035939.db2.gz YXKAFRQOPKNTRW-BTFYYFJDSA-N 2 0 316.445 2.906 20 0 DFADRP C[C@H]([NH2+][C@H]1CCN(Cc2ccccc2)[C@@H]1C)C1CC[NH+](C)CC1 ZINC000309905963 543066900 /nfs/dbraw/zinc/06/69/00/543066900.db2.gz QKJMWQNEEPHRMA-QKLQHJQFSA-N 2 0 315.505 2.969 20 0 DFADRP C[NH+]1CCN(C(C)(C)C[NH2+][C@@H]2CCCc3ccccc32)CC1 ZINC000314213533 543068490 /nfs/dbraw/zinc/06/84/90/543068490.db2.gz SDIICEOBAWSKTO-GOSISDBHSA-N 2 0 301.478 2.680 20 0 DFADRP CC(C)C[C@@H](NC(=O)CN1CC[C@](C)(C[NH3+])C1)c1ccccc1 ZINC000337774683 543131896 /nfs/dbraw/zinc/13/18/96/543131896.db2.gz WXCNSHQDFCNMLA-IEBWSBKVSA-N 2 0 317.477 2.561 20 0 DFADRP C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)CC[N@@H+]2CCCC[C@@H]2C)C1 ZINC000339263978 543142750 /nfs/dbraw/zinc/14/27/50/543142750.db2.gz IBNURPYGIDJFRD-KURKYZTESA-N 2 0 323.525 2.735 20 0 DFADRP C[C@H]1CCCC[N@@H+]1CCC(=O)N[C@H](CC[NH+](C)C)C(C)(C)C ZINC000339286165 543143365 /nfs/dbraw/zinc/14/33/65/543143365.db2.gz KRVVZIYXVOIBSH-JKSUJKDBSA-N 2 0 311.514 2.734 20 0 DFADRP C[C@@H]1CCCC[N@@H+]1CCC(=O)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000339278971 543143713 /nfs/dbraw/zinc/14/37/13/543143713.db2.gz NNXQBEONPVUICP-QZTJIDSGSA-N 2 0 321.509 2.585 20 0 DFADRP C[C@H]1CCCC[N@@H+]1CCC(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C ZINC000339286160 543143756 /nfs/dbraw/zinc/14/37/56/543143756.db2.gz KRVVZIYXVOIBSH-HOTGVXAUSA-N 2 0 311.514 2.734 20 0 DFADRP c1cnn(Cc2cccc(C[NH2+][C@H]3CC[N@@H+]4CCC[C@H]4C3)c2)c1 ZINC000339068781 543139785 /nfs/dbraw/zinc/13/97/85/543139785.db2.gz PZPCYWNEAFUKHL-OALUTQOASA-N 2 0 310.445 2.648 20 0 DFADRP Cc1ccc([C@H](CN[C@H]2CC[N@@H+]3CCC[C@H]3C2)[NH+](C)C)cc1 ZINC000339070197 543140039 /nfs/dbraw/zinc/14/00/39/543140039.db2.gz XQDDZUUQCGYJLC-FHWLQOOXSA-N 2 0 301.478 2.814 20 0 DFADRP C[C@H](CN[C@@H]1CC[N@@H+]2CCC[C@H]2C1)[NH+](C)Cc1ccccc1 ZINC000339066207 543140112 /nfs/dbraw/zinc/14/01/12/543140112.db2.gz FUVPKSLYIIMZGG-QRQLOZEOSA-N 2 0 301.478 2.723 20 0 DFADRP C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)CC[NH+]2CCCC[C@@H]2C)C1 ZINC000339250994 543141964 /nfs/dbraw/zinc/14/19/64/543141964.db2.gz QANLEWJZVZFRLY-IRXDYDNUSA-N 2 0 323.525 2.878 20 0 DFADRP C[C@@H]1CCCC[N@@H+]1CCC(=O)NC[C@@H](c1cccs1)[NH+](C)C ZINC000339234685 543142188 /nfs/dbraw/zinc/14/21/88/543142188.db2.gz UVHGBRURJWXRIV-CABCVRRESA-N 2 0 323.506 2.732 20 0 DFADRP CO[C@]1(C)CCC[N@H+](CC[C@@H](C)[NH+]2CCC[C@](C)(OC)C2)C1 ZINC000348247789 543183800 /nfs/dbraw/zinc/18/38/00/543183800.db2.gz WOXPYJCOCNZRFP-KURKYZTESA-N 2 0 312.498 2.767 20 0 DFADRP CO[C@]1(C)CCC[NH+]([C@H](C)CC[N@H+]2CCC[C@@](C)(OC)C2)C1 ZINC000348247792 543184099 /nfs/dbraw/zinc/18/40/99/543184099.db2.gz WOXPYJCOCNZRFP-KZNAEPCWSA-N 2 0 312.498 2.767 20 0 DFADRP CCC[C@@H](C)CCC[NH+]1CCC(C(=O)NCC[NH+](C)C)CC1 ZINC000625249694 399867443 /nfs/dbraw/zinc/86/74/43/399867443.db2.gz ZVSBGLRDUCXQMB-MRXNPFEDSA-N 2 0 311.514 2.593 20 0 DFADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]C[C@](C)(CO)Cc1ccccc1 ZINC000357815040 543264291 /nfs/dbraw/zinc/26/42/91/543264291.db2.gz VESMVOSHUFHWQY-PSBWJHGTSA-N 2 0 304.478 2.546 20 0 DFADRP CCCN1CC[C@@H]([NH2+][C@@H](C)Cc2ccc(OC)c(OC)c2)C1 ZINC000389160659 543303843 /nfs/dbraw/zinc/30/38/43/543303843.db2.gz AKBKDVGUIWJRJB-GOEBONIOSA-N 2 0 306.450 2.709 20 0 DFADRP CCCN1CC[C@@H]([NH2+][C@H](C)Cc2ccc(OC)c(OC)c2)C1 ZINC000389160657 543303955 /nfs/dbraw/zinc/30/39/55/543303955.db2.gz AKBKDVGUIWJRJB-GDBMZVCRSA-N 2 0 306.450 2.709 20 0 DFADRP C[C@@H]([NH2+][C@@H]1CCN(Cc2ccccc2)C1)C1CC[NH+](C)CC1 ZINC000390765966 543307065 /nfs/dbraw/zinc/30/70/65/543307065.db2.gz QPLMMBOAACFNSD-VQIMIIECSA-N 3 0 301.478 2.581 20 0 DFADRP C[C@@H]([NH2+][C@@H](C)c1cccc(OCC[NH+](C)C)c1)c1cnn(C)c1 ZINC000163867577 145223985 /nfs/dbraw/zinc/22/39/85/145223985.db2.gz AWIUJWYFYSKGPL-LSDHHAIUSA-N 2 0 316.449 2.772 20 0 DFADRP CC(C)[C@@H](O)CC[NH2+][C@H](C)c1ccc(OCC[NH+](C)C)cc1 ZINC000165358953 145228743 /nfs/dbraw/zinc/22/87/43/145228743.db2.gz YONPGNAWZPVPAT-QAPCUYQASA-N 2 0 308.466 2.685 20 0 DFADRP C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000165111329 145229138 /nfs/dbraw/zinc/22/91/38/145229138.db2.gz YIJLPRNYAFTYRX-OWSLCNJRSA-N 2 0 321.509 2.678 20 0 DFADRP C[C@H]([NH2+]C[C@@H](C1CC1)N(C)C)c1ccc(OCC[NH+](C)C)cc1 ZINC000166197138 145232688 /nfs/dbraw/zinc/23/26/88/145232688.db2.gz ROVPOWNXRFKQJT-KXBFYZLASA-N 2 0 319.493 2.618 20 0 DFADRP Cc1ccc([C@@H](CNC(=O)C2([NH3+])CCCCC2)[NH+]2CCCC2)o1 ZINC000167143427 145238514 /nfs/dbraw/zinc/23/85/14/145238514.db2.gz YMSYCEAHFXZQDX-OAHLLOKOSA-N 2 0 319.449 2.503 20 0 DFADRP CC[C@H](C)[C@@H]([NH3+])C(=O)NCC(C)(C)[NH2+][C@@H](C)c1ccccc1 ZINC000167622306 145240747 /nfs/dbraw/zinc/24/07/47/145240747.db2.gz RVRVPGHSBWWTGY-OFQRWUPVSA-N 2 0 305.466 2.605 20 0 DFADRP Cc1nn(-c2ccc(F)cc2)c(C)c1C[NH2+][C@H]1CCC[C@H]([NH3+])C1 ZINC000414921041 543327672 /nfs/dbraw/zinc/32/76/72/543327672.db2.gz DZPVGVDMSAOORV-HOTGVXAUSA-N 2 0 316.424 2.988 20 0 DFADRP [NH3+][C@H]1CCC[C@H]([NH2+]Cc2cnn(-c3ccc(Cl)cc3)c2)C1 ZINC000414908501 543327825 /nfs/dbraw/zinc/32/78/25/543327825.db2.gz BMDRPVFEPSHCRF-GJZGRUSLSA-N 2 0 304.825 2.885 20 0 DFADRP C[C@@H](CC[NH3+])[NH2+]Cc1ccc(Br)c2cccnc12 ZINC000414900698 543327832 /nfs/dbraw/zinc/32/78/32/543327832.db2.gz WLLFIGWUONJBNV-JTQLQIEISA-N 2 0 308.223 2.824 20 0 DFADRP CCCC[C@@H](CC)CC[NH2+][C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1 ZINC000414981027 543328417 /nfs/dbraw/zinc/32/84/17/543328417.db2.gz BFEADDAQAOJPFW-SUMDDJOVSA-N 2 0 323.525 2.829 20 0 DFADRP C[C@@H]([NH3+])c1ccc(-c2ccc3c(c2)CC[C@]([NH3+])(CO)C3)cc1F ZINC000630501240 399895510 /nfs/dbraw/zinc/89/55/10/399895510.db2.gz QEMGJZCUACVPQH-CWTRNNRKSA-N 2 0 314.404 2.691 20 0 DFADRP Cc1cc(CNc2cc(N3CC[NH+](C)CC3)cc[nH+]2)cs1 ZINC000630962035 399954355 /nfs/dbraw/zinc/95/43/55/399954355.db2.gz WBYRTXLZJJLVIB-UHFFFAOYSA-N 2 0 302.447 2.815 20 0 DFADRP Cc1cc(C)c(/C=C\C[NH2+]CCCN2CC[NH+](C)CC2)cc1C ZINC000631035241 399966193 /nfs/dbraw/zinc/96/61/93/399966193.db2.gz DKSAQIQVLUBKGS-ALCCZGGFSA-N 2 0 315.505 2.852 20 0 DFADRP CC(C)n1ncnc1C[NH2+]CCCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000631042048 399967760 /nfs/dbraw/zinc/96/77/60/399967760.db2.gz FWNORJLYVHAJRE-HOTGVXAUSA-N 2 0 307.486 2.707 20 0 DFADRP Cc1cc(C)c(/C=C\C[NH2+][C@@H](C)CN2CC[NH+](C)CC2)c(C)c1 ZINC000631067493 399973627 /nfs/dbraw/zinc/97/36/27/399973627.db2.gz NELBHNJUHCGIQF-RURPWVQCSA-N 2 0 315.505 2.851 20 0 DFADRP CC(=O)Nc1cccc(CNC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)c1 ZINC000631079607 399976128 /nfs/dbraw/zinc/97/61/28/399976128.db2.gz NELLYLZJHVOIEA-AYHJJNSGSA-N 2 0 301.434 2.750 20 0 DFADRP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(=O)[nH]c2)CC[N@@H+]1Cc1ccccc1 ZINC000631085273 399977691 /nfs/dbraw/zinc/97/76/91/399977691.db2.gz JMSOAOTUDCZKNA-QAPCUYQASA-N 2 0 311.429 2.930 20 0 DFADRP CCC(C)(C)[NH2+][C@@H](C)C(=O)NC[C@@H]1CC[N@@H+]1C1CCCCC1 ZINC000628544331 400039530 /nfs/dbraw/zinc/03/95/30/400039530.db2.gz DLXBOLRBHRAUMO-HOCLYGCPSA-N 2 0 309.498 2.676 20 0 DFADRP CC[C@@H](C(=O)NC[C@@H]1CC[N@@H+]1C1CCCCC1)[NH+](CC)CC ZINC000628545447 400039784 /nfs/dbraw/zinc/03/97/84/400039784.db2.gz POJRRZIIKWHXGD-IRXDYDNUSA-N 2 0 309.498 2.630 20 0 DFADRP CCC1([NH+](C)C)CCN(C(=O)[C@H](C)[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000634120878 399985250 /nfs/dbraw/zinc/98/52/50/399985250.db2.gz PQMOAEXNCHMJPD-XHSDSOJGSA-N 2 0 309.498 2.581 20 0 DFADRP Cc1ccc([C@H](C)C[NH2+]CC2CC[NH+](CCN(C)C)CC2)cc1 ZINC000628214424 400002850 /nfs/dbraw/zinc/00/28/50/400002850.db2.gz WZXYAONOLQXKJY-GOSISDBHSA-N 2 0 317.521 2.962 20 0 DFADRP C[NH+]1CCC([C@H]2CC[N@H+](Cc3cnc4ccccc4n3)C2)CC1 ZINC000628279851 400012650 /nfs/dbraw/zinc/01/26/50/400012650.db2.gz CQFAQSIMWZMEFC-INIZCTEOSA-N 2 0 310.445 2.794 20 0 DFADRP C[C@]1(C[NH2+]Cc2ccc(C[N@@H+]3CC[C@H](O)C3)cc2)CCCS1 ZINC000628337992 400022260 /nfs/dbraw/zinc/02/22/60/400022260.db2.gz XABIZXJDNGBUBL-ZWKOTPCHSA-N 2 0 320.502 2.629 20 0 DFADRP C[C@]1(C[NH2+]CC2CC[NH+](C3CCOCC3)CC2)CCCS1 ZINC000628336867 400022389 /nfs/dbraw/zinc/02/23/89/400022389.db2.gz QZYMWYCCSBDAMK-QGZVFWFLSA-N 2 0 312.523 2.753 20 0 DFADRP C[C@@]1(C[NH2+]Cc2ccc(C[N@@H+]3CC[C@H](O)C3)cc2)CCCS1 ZINC000628337991 400022471 /nfs/dbraw/zinc/02/24/71/400022471.db2.gz XABIZXJDNGBUBL-ROUUACIJSA-N 2 0 320.502 2.629 20 0 DFADRP Cc1ccc([C@H](C)C[NH+]2CCC([N@@H+]3CC[C@H](O)C3)CC2)cc1 ZINC000628352120 400024837 /nfs/dbraw/zinc/02/48/37/400024837.db2.gz XTCSJFJUNFOOFI-APWZRJJASA-N 2 0 302.462 2.630 20 0 DFADRP CCC[NH+](CCC)CCCC(=O)NC[C@@H]1CCCC[N@H+](C)C1 ZINC000628747817 400051894 /nfs/dbraw/zinc/05/18/94/400051894.db2.gz CPNUMHOXLYESNB-KRWDZBQOSA-N 2 0 311.514 2.737 20 0 DFADRP C[N@@H+]1CCCC[C@H](CNC(=O)[C@H]2CCCC[NH+]2C2CCCC2)C1 ZINC000628748974 400052583 /nfs/dbraw/zinc/05/25/83/400052583.db2.gz ZKMMGIYIEGNUOA-SJLPKXTDSA-N 2 0 321.509 2.632 20 0 DFADRP CCC[C@H]([NH2+]CCN1CC[N@H+](C)C(C)(C)C1)c1cc(C)ccn1 ZINC000631625715 400059567 /nfs/dbraw/zinc/05/95/67/400059567.db2.gz QBKJBVSBQFNSMO-KRWDZBQOSA-N 2 0 318.509 2.847 20 0 DFADRP OC[C@H]1C[C@@H]([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@H]3CCC[C@@H]32)C1 ZINC000631673224 400064845 /nfs/dbraw/zinc/06/48/45/400064845.db2.gz RSCNSVMIJHYRPS-IVDHNXQLSA-N 2 0 314.473 2.790 20 0 DFADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC[C@@H](O)C(F)F ZINC000631696255 400067492 /nfs/dbraw/zinc/06/74/92/400067492.db2.gz FKOZVGTVQQLNNG-VNQPRFMTSA-N 2 0 312.404 2.503 20 0 DFADRP O[C@H](CC[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)C(F)F ZINC000631697968 400067910 /nfs/dbraw/zinc/06/79/10/400067910.db2.gz AHAPRMJFAFGWRN-WCXIOVBPSA-N 2 0 324.415 2.788 20 0 DFADRP C[C@H]([NH2+]CC[C@@H](O)C(F)F)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000631698624 400068164 /nfs/dbraw/zinc/06/81/64/400068164.db2.gz GIANFYIAUHXJHK-NUEKZKHPSA-N 2 0 312.404 2.503 20 0 DFADRP CC(C)[C@H]1CN([C@@H]2C[NH+](Cc3ccccc3)C[C@H]2C)CC[N@@H+]1C ZINC000631794095 400075729 /nfs/dbraw/zinc/07/57/29/400075729.db2.gz RMGGTNJQOOVMQP-MISYRCLQSA-N 2 0 315.505 2.779 20 0 DFADRP C[C@@H]1OCC[C@H]1C[N@H+](Cc1nccs1)[C@H]1CC12CC[NH2+]CC2 ZINC000631824697 400077719 /nfs/dbraw/zinc/07/77/19/400077719.db2.gz MXZZKTHVJMSKKK-KKUMJFAQSA-N 2 0 321.490 2.512 20 0 DFADRP [NH3+][C@@H]1CCO[C@@H](C2CC[NH+](C[C@@H]3CCC(F)(F)C3)CC2)C1 ZINC000631828575 400078101 /nfs/dbraw/zinc/07/81/01/400078101.db2.gz SHALEQFFNQMZIF-BPLDGKMQSA-N 2 0 302.409 2.640 20 0 DFADRP c1cc(C[N@@H+]2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)c2c(c1)COCC2 ZINC000631827663 400078157 /nfs/dbraw/zinc/07/81/57/400078157.db2.gz UFGVPWYRPBLJQC-DNVCBOLYSA-N 2 0 300.446 2.723 20 0 DFADRP C[C@@H]([NH2+]C1CC[NH+](C[C@@H]2CCOC2)CC1)C1CCSCC1 ZINC000187224169 145750458 /nfs/dbraw/zinc/75/04/58/145750458.db2.gz JCOHCIOIFIUPHD-CABCVRRESA-N 2 0 312.523 2.609 20 0 DFADRP CC(C)N(C(=O)[C@H](C)[NH+]1CCC(C[NH+]2CCCC2)CC1)C(C)C ZINC000194738625 145974704 /nfs/dbraw/zinc/97/47/04/145974704.db2.gz VICLDPUHPWVALK-KRWDZBQOSA-N 2 0 323.525 2.828 20 0 DFADRP C[C@H]([NH2+]CCOCC[NH+](C)C)c1cc(Br)cs1 ZINC000226401806 146004758 /nfs/dbraw/zinc/00/47/58/146004758.db2.gz BYKKIERBECQKNA-JTQLQIEISA-N 2 0 321.284 2.739 20 0 DFADRP COC[C@H](CCC[NH3+])[NH2+][C@H](C)c1ccccc1OC(F)F ZINC000234697719 146018042 /nfs/dbraw/zinc/01/80/42/146018042.db2.gz CWNJWYJGTADBBK-NEPJUHHUSA-N 2 0 302.365 2.693 20 0 DFADRP COC[C@@H](CCC[NH3+])[NH2+][C@H](C)c1ccc(Br)cc1 ZINC000234749951 146018663 /nfs/dbraw/zinc/01/86/63/146018663.db2.gz JBZVUQGWHXZTLY-BXUZGUMPSA-N 2 0 315.255 2.854 20 0 DFADRP CCCC[C@H]([NH3+])C(=O)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000236767136 146025686 /nfs/dbraw/zinc/02/56/86/146025686.db2.gz NXVUFTUTPYKRQA-KRWDZBQOSA-N 2 0 309.498 2.619 20 0 DFADRP CCCC[C@@H]([NH3+])C(=O)NCc1ccccc1C[NH+]1CCCCC1 ZINC000236774490 146027431 /nfs/dbraw/zinc/02/74/31/146027431.db2.gz OOWYNHNEXJAVIC-GOSISDBHSA-N 2 0 317.477 2.806 20 0 DFADRP CCCC[C@H]([NH3+])C(=O)NCC(C)(C)[NH2+][C@@H](C)c1ccccc1 ZINC000236788935 146027630 /nfs/dbraw/zinc/02/76/30/146027630.db2.gz WUXZOTDWEKEAJX-HOCLYGCPSA-N 2 0 305.466 2.750 20 0 DFADRP CC[NH+](CC)[C@@H](CNC(=O)[C@]1(C)CCCC[NH2+]1)c1ccsc1 ZINC000236837270 146028345 /nfs/dbraw/zinc/02/83/45/146028345.db2.gz DCFKCTBMTBIKIS-RDJZCZTQSA-N 2 0 323.506 2.779 20 0 DFADRP CCN(CCCNC(=O)[C@]1(C)CCCC[NH2+]1)c1ccccc1 ZINC000236848431 146030378 /nfs/dbraw/zinc/03/03/78/146030378.db2.gz HSGIFBJSZFIRBZ-SFHVURJKSA-N 2 0 303.450 2.551 20 0 DFADRP CC[NH+](CC)CCOCC[NH2+][C@@H](C)c1ccc2c(c1)COC2 ZINC000349661950 285910308 /nfs/dbraw/zinc/91/03/08/285910308.db2.gz HHEZSBBYGNPFJI-HNNXBMFYSA-N 2 0 306.450 2.726 20 0 DFADRP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@@H+]2CCOC1CCCCCC1 ZINC000441259440 543355024 /nfs/dbraw/zinc/35/50/24/543355024.db2.gz DOWYRFGEMXNVHD-NZSAHSFTSA-N 2 0 324.509 2.909 20 0 DFADRP C[C@H]1C[C@H](N(C)C(=O)CC(C)(C)[NH3+])CC[N@@H+]1Cc1ccccc1 ZINC000237582897 146046782 /nfs/dbraw/zinc/04/67/82/146046782.db2.gz MSJCBFGLZRXRNE-DOTOQJQBSA-N 2 0 317.477 2.625 20 0 DFADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@H]2COC3(CCCCCC3)O2)[C@H](C)C1 ZINC000245559490 146083308 /nfs/dbraw/zinc/08/33/08/146083308.db2.gz IEWSMTKMAHNYPT-IKGGRYGDSA-N 2 0 310.482 2.772 20 0 DFADRP C[C@H](O)C[NH+]1CCC(C[N@H+](C)Cc2ccc([C@H]3C[C@@H]3C)o2)CC1 ZINC000245745781 146099209 /nfs/dbraw/zinc/09/92/09/146099209.db2.gz MRYSHNDXXNEZOT-MPGHIAIKSA-N 2 0 320.477 2.928 20 0 DFADRP C[C@@H]1OCC[C@H]1[NH2+]Cc1ccccc1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000245907122 146107997 /nfs/dbraw/zinc/10/79/97/146107997.db2.gz CMQIARNFGCQDIQ-CYJAXWMASA-N 2 0 318.461 2.563 20 0 DFADRP CC[N@H+](C)C[C@@H]1CCN([C@H](C)c2cc(C)c(C(=O)OC)o2)C1 ZINC000246215498 146131464 /nfs/dbraw/zinc/13/14/64/146131464.db2.gz ZARKWQLVDVUYFN-KGLIPLIRSA-N 2 0 308.422 2.709 20 0 DFADRP CC[N@@H+]1CC[C@H](N[C@@H]2C[C@@H](C)[NH+](Cc3ccccc3)C2)[C@H](C)C1 ZINC000247090594 146161030 /nfs/dbraw/zinc/16/10/30/146161030.db2.gz NZHWDEOMENFHDE-LFGUQSLTSA-N 2 0 315.505 2.969 20 0 DFADRP Cc1ccc(NC(=O)[C@H](C)N(C)C[C@H]2CCC[N@H+](C)C2)cc1C ZINC000247140796 146163946 /nfs/dbraw/zinc/16/39/46/146163946.db2.gz XBBNFSNBLPPHNJ-IRXDYDNUSA-N 2 0 317.477 2.904 20 0 DFADRP FC(F)COCC[NH2+][C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000249032365 146182356 /nfs/dbraw/zinc/18/23/56/146182356.db2.gz LTLXIWDBRLAGHY-YESZJQIVSA-N 2 0 324.415 2.768 20 0 DFADRP O[C@@H]1CC[C@H](C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC000249041522 146184813 /nfs/dbraw/zinc/18/48/13/146184813.db2.gz UVUYSVDQSNTNHD-WKWVNEEDSA-N 2 0 314.473 2.933 20 0 DFADRP C[C@@H]1C[C@H](NC[C@H]2CC[NH+](Cc3ccccc3)C2)C[N@@H+]1C1CC1 ZINC000249099393 146186586 /nfs/dbraw/zinc/18/65/86/146186586.db2.gz NGPJGKFKVHNQNT-QRQLOZEOSA-N 2 0 313.489 2.723 20 0 DFADRP CO[C@H](C)C[NH2+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000249091634 146187402 /nfs/dbraw/zinc/18/74/02/146187402.db2.gz NMUYFVYVFBWATI-NXWXRZEISA-N 2 0 302.462 2.912 20 0 DFADRP OC[C@@H]1C[N@H+](CCC[NH+]2CCCCC2)C[C@H]1c1ccsc1 ZINC000249329662 146194736 /nfs/dbraw/zinc/19/47/36/146194736.db2.gz HLKKEIKKYNSSNQ-IRXDYDNUSA-N 2 0 308.491 2.632 20 0 DFADRP CSC[C@H](O)C[NH+]1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000249454610 146198565 /nfs/dbraw/zinc/19/85/65/146198565.db2.gz NFOCMYOIIGUPGG-NVXWUHKLSA-N 2 0 314.539 2.687 20 0 DFADRP O[C@H]1CCCC[C@@H]1[NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]12 ZINC000250128467 146209693 /nfs/dbraw/zinc/20/96/93/146209693.db2.gz WOBKMHWOVIVDIS-UEDWAMCQSA-N 2 0 314.473 2.790 20 0 DFADRP O[C@H]1CCCC[C@@H]1[NH2+][C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000250127778 146210196 /nfs/dbraw/zinc/21/01/96/146210196.db2.gz WOBKMHWOVIVDIS-MDMHHNQBSA-N 2 0 314.473 2.790 20 0 DFADRP C[C@H]([NH2+][C@@H]1C[C@H]2OCCC[C@@H]12)c1cccc(OCC[NH+](C)C)c1 ZINC000252010027 146220438 /nfs/dbraw/zinc/22/04/38/146220438.db2.gz XMZSJVGRZLZCBZ-WQANXHIZSA-N 2 0 318.461 2.845 20 0 DFADRP [NH3+]C1CCC([NH2+][C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]23)CC1 ZINC000261552504 146239533 /nfs/dbraw/zinc/23/95/33/146239533.db2.gz RNXLMPRIRNDASO-RDLPGAODSA-N 3 0 313.489 2.757 20 0 DFADRP [NH3+][C@@H]1C[C@@H](N[C@@H]2CC[N@H+](Cc3ccccc3)C2)c2ccccc21 ZINC000261555152 146239953 /nfs/dbraw/zinc/23/99/53/146239953.db2.gz UUDHVEJSSMBFKT-NSISKUIASA-N 2 0 307.441 2.995 20 0 DFADRP C[N@H+](CC[C@H]1CCC[NH2+]C1)C1CCN(Cc2ccccc2)CC1 ZINC000261557570 146241384 /nfs/dbraw/zinc/24/13/84/146241384.db2.gz XLVPCKZVILFRSF-GOSISDBHSA-N 2 0 315.505 2.973 20 0 DFADRP C[C@@H]1C[N@@H+](CC2CC[NH+](Cc3cccc(N)c3)CC2)C[C@H](C)O1 ZINC000261616959 146247171 /nfs/dbraw/zinc/24/71/71/146247171.db2.gz BHKHSKZTASBMPU-IYBDPMFKSA-N 2 0 317.477 2.590 20 0 DFADRP O=C(CC[C@H]1CCC[NH2+]1)NCC1([NH+]2CCCCC2)CCCCC1 ZINC000261610563 146247406 /nfs/dbraw/zinc/24/74/06/146247406.db2.gz AZGUHNRTYANVDU-QGZVFWFLSA-N 2 0 321.509 2.824 20 0 DFADRP CC[NH+](CC)CC1CCN(C(=O)C[C@H](C)[C@@H]2CCC[NH2+]C2)CC1 ZINC000261674183 146258135 /nfs/dbraw/zinc/25/81/35/146258135.db2.gz HLPOUIXPRHQSNB-FUHWJXTLSA-N 2 0 323.525 2.593 20 0 DFADRP Cc1oc(-c2cccs2)nc1CN1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000261694546 146260680 /nfs/dbraw/zinc/26/06/80/146260680.db2.gz NOKSLLPBSHIWSL-YNEHKIRRSA-N 2 0 303.431 2.881 20 0 DFADRP CC[C@H]1C[C@H](C[N@@H+]2C[C@@H](C[NH3+])[C@H](c3ccccc3)C2)CCO1 ZINC000261702657 146262683 /nfs/dbraw/zinc/26/26/83/146262683.db2.gz JLPQFUOCOMQYIV-YSHGAJCASA-N 2 0 302.462 2.866 20 0 DFADRP [NH3+][C@@H]1CC[C@H]2C[N@H+](Cc3ccc(OC(F)(F)F)cc3)C[C@H]12 ZINC000261716336 146264952 /nfs/dbraw/zinc/26/49/52/146264952.db2.gz PPEGQQJAQXDAFX-FPMFFAJLSA-N 2 0 300.324 2.754 20 0 DFADRP Cc1ccc(NC(=O)C[NH+]2CCC([C@H]3CCC[NH2+]3)CC2)cc1C ZINC000261723022 146266435 /nfs/dbraw/zinc/26/64/35/146266435.db2.gz MAIDTOBQGMPYLV-GOSISDBHSA-N 2 0 315.461 2.706 20 0 DFADRP Fc1ccccc1CO[C@H]1CCC[N@H+](C[C@@H]2CCC[NH2+]C2)C1 ZINC000261747450 146269141 /nfs/dbraw/zinc/26/91/41/146269141.db2.gz BWZDFKJTGAJGOU-WBVHZDCISA-N 2 0 306.425 2.806 20 0 DFADRP CC[N@H+](CCC1CC[NH+](CC2CC[NH2+]CC2)CC1)CC1CC1 ZINC000261745848 146269152 /nfs/dbraw/zinc/26/91/52/146269152.db2.gz BUKBEQHEJRIYRW-UHFFFAOYSA-N 3 0 307.526 2.820 20 0 DFADRP C[C@@H]([NH3+])[C@@H]1CCCCN1Cc1cnn(Cc2ccc(F)cc2)c1 ZINC000261767904 146273845 /nfs/dbraw/zinc/27/38/45/146273845.db2.gz MHOIWBNOGIJZIT-KDOFPFPSSA-N 2 0 316.424 2.772 20 0 DFADRP CCOc1ccc(OCC[NH+]2CCC([C@H]3CCC[NH2+]3)CC2)cc1 ZINC000261781925 146275758 /nfs/dbraw/zinc/27/57/58/146275758.db2.gz RYUPKVQAHWGCPL-LJQANCHMSA-N 2 0 318.461 2.928 20 0 DFADRP CC(C)c1cccc(NC(=O)CN2CCC[C@H]([C@@H](C)[NH3+])C2)c1 ZINC000261821871 146282686 /nfs/dbraw/zinc/28/26/86/146282686.db2.gz ASRIMTYLNZGTCO-ZBFHGGJFSA-N 2 0 303.450 2.808 20 0 DFADRP Cc1cc2cc(C[N@@H+]3CC[C@H](N4CC[NH2+]CC4)C3)oc2cc1C ZINC000261827819 146284807 /nfs/dbraw/zinc/28/48/07/146284807.db2.gz AAWQNURWHOQJBN-KRWDZBQOSA-N 2 0 313.445 2.529 20 0 DFADRP C[NH2+]C[C@H]1CCCN(CC(=O)Nc2ccc(C(C)C)cc2)C1 ZINC000261863702 146290069 /nfs/dbraw/zinc/29/00/69/146290069.db2.gz GHKWAJQLSAFAFV-OAHLLOKOSA-N 2 0 303.450 2.680 20 0 DFADRP Fc1ccc(C[NH2+][C@@H]2CCC[C@H]2[C@H]2COCCN2)cc1Cl ZINC000261877216 146292882 /nfs/dbraw/zinc/29/28/82/146292882.db2.gz DUMZDLGEMAQYHB-DAXOMENPSA-N 2 0 312.816 2.726 20 0 DFADRP CCN(C[C@@]1(C)CC[NH2+]C1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000261909159 146300626 /nfs/dbraw/zinc/30/06/26/146300626.db2.gz XTBROZYCHWGAMW-OALUTQOASA-N 2 0 301.478 2.582 20 0 DFADRP CCCOc1ccc(OCC[NH+]2CCC(C[NH2+]C)CC2)cc1 ZINC000261941242 146305429 /nfs/dbraw/zinc/30/54/29/146305429.db2.gz LLDVFIKWBDXJTJ-UHFFFAOYSA-N 2 0 306.450 2.786 20 0 DFADRP CCOc1ccc(C(C)=O)cc1CN1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000261952415 146308447 /nfs/dbraw/zinc/30/84/47/146308447.db2.gz WPCFHURKDIEXPB-SZMVWBNQSA-N 2 0 316.445 2.847 20 0 DFADRP C[NH2+]CC1CC[NH+](Cc2cc(=O)oc3cc(C)ccc23)CC1 ZINC000261956532 146309974 /nfs/dbraw/zinc/30/99/74/146309974.db2.gz NZRVHRBXCIGISX-UHFFFAOYSA-N 2 0 300.402 2.533 20 0 DFADRP C[C@]1(C[N@@H+]2CCC[C@H]2C[C@H](O)c2ccc(F)cc2)CC[NH2+]C1 ZINC000261977862 146312712 /nfs/dbraw/zinc/31/27/12/146312712.db2.gz IXLUWVNNPMVQIA-BZSNNMDCSA-N 2 0 306.425 2.713 20 0 DFADRP C[C@@H](NC(=O)C[N@@H+]1CCC[C@H](CC[NH3+])C1)c1ccccc1Cl ZINC000261980825 146314747 /nfs/dbraw/zinc/31/47/47/146314747.db2.gz RHFQXEITOGOAOB-ZIAGYGMSSA-N 2 0 323.868 2.578 20 0 DFADRP C[C@]1(C[N@@H+]2CCC[C@@H](n3ccc(C(F)(F)F)n3)C2)CC[NH2+]C1 ZINC000261998161 146318834 /nfs/dbraw/zinc/31/88/34/146318834.db2.gz LAFSHWFRKYFNML-OCCSQVGLSA-N 2 0 316.371 2.538 20 0 DFADRP CCOc1cc(CN2CC[C@@H](C[NH2+]C)C2)ccc1OC(F)F ZINC000262009018 146321147 /nfs/dbraw/zinc/32/11/47/146321147.db2.gz WDAQXPXDYKLXMA-ZDUSSCGKSA-N 2 0 314.376 2.728 20 0 DFADRP CCCOc1ccc(OCC[NH+]2CCC([C@@H](C)[NH3+])CC2)cc1 ZINC000262027894 146323968 /nfs/dbraw/zinc/32/39/68/146323968.db2.gz YINVRCOYOYGBQA-OAHLLOKOSA-N 2 0 306.450 2.913 20 0 DFADRP C[C@@H]([NH3+])[C@H]1CCC[N@H+](Cc2ccc(-c3cnn(C)c3)s2)C1 ZINC000262047989 146327022 /nfs/dbraw/zinc/32/70/22/146327022.db2.gz ZHCPUGKZJSZXEE-OLZOCXBDSA-N 2 0 304.463 2.708 20 0 DFADRP C[N@H+](CC1CC[NH2+]CC1)[C@@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000262052762 146327747 /nfs/dbraw/zinc/32/77/47/146327747.db2.gz ZVTODQMFEBPQQT-MSOLQXFVSA-N 2 0 306.425 2.977 20 0 DFADRP C[C@H]1C[N@H+](Cc2ccccc2)CCCN1C[C@]1(C)CC[NH2+]C1 ZINC000262101991 146333227 /nfs/dbraw/zinc/33/32/27/146333227.db2.gz VROZUGDFFWCRGV-PKOBYXMFSA-N 2 0 301.478 2.582 20 0 DFADRP Fc1ccc(-n2cc(C[N@@H+]3CCC4(C3)CC[NH2+]CC4)cn2)cc1 ZINC000262102038 146333569 /nfs/dbraw/zinc/33/35/69/146333569.db2.gz VSCLCDWMSPOBKK-UHFFFAOYSA-N 2 0 314.408 2.587 20 0 DFADRP C[C@@]1(C[NH+]2CCC(OCCc3ccccc3)CC2)CC[NH2+]C1 ZINC000262122281 146335492 /nfs/dbraw/zinc/33/54/92/146335492.db2.gz XKXDUHSUJLYPMS-LJQANCHMSA-N 2 0 302.462 2.710 20 0 DFADRP O[C@H]1C[NH2+]C[C@H]1C[NH2+]Cc1ccc(-c2ccccc2Cl)s1 ZINC000262161720 146340253 /nfs/dbraw/zinc/34/02/53/146340253.db2.gz STKFJSRHWCQCTH-ABAIWWIYSA-N 2 0 322.861 2.738 20 0 DFADRP C[N@H+](CCNC(=O)C1C[C@H]2CCC[C@@H](C1)C2[NH3+])C1CCCCC1 ZINC000262211728 146342671 /nfs/dbraw/zinc/34/26/71/146342671.db2.gz FAESHYSHHBYZTE-SFYZZRBRSA-N 2 0 321.509 2.521 20 0 DFADRP CCOc1ccccc1OCC[NH+]1CCC(CC[NH2+]C)CC1 ZINC000262341810 146352309 /nfs/dbraw/zinc/35/23/09/146352309.db2.gz UKMMVIBAPCNMAL-UHFFFAOYSA-N 2 0 306.450 2.786 20 0 DFADRP CN(C)[C@H](C[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1)c1ccccc1 ZINC000262364158 146353608 /nfs/dbraw/zinc/35/36/08/146353608.db2.gz WRUDCBOIKNMEMT-NCXUSEDFSA-N 2 0 301.478 2.800 20 0 DFADRP CCOc1ccccc1OCC[N@H+](C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000262372479 146354890 /nfs/dbraw/zinc/35/48/90/146354890.db2.gz XOVBGUGMTOMHOQ-XYPWUTKMSA-N 2 0 304.434 2.679 20 0 DFADRP COc1cc(C[N@@H+]2CC[C@@H](C)[C@@H](C[NH3+])C2)ccc1OC(F)F ZINC000262555827 146371407 /nfs/dbraw/zinc/37/14/07/146371407.db2.gz UDWDQKLENBPQBW-YPMHNXCESA-N 2 0 314.376 2.713 20 0 DFADRP Cc1ccc([C@H](CNC(=O)[C@@H]2CCCC[C@]2(C)[NH3+])[NH+](C)C)cc1 ZINC000263217902 146436023 /nfs/dbraw/zinc/43/60/23/146436023.db2.gz LGCPIEXLSYZIFV-LNLFQRSKSA-N 2 0 317.477 2.622 20 0 DFADRP CC[NH+]1CCN(CCCC[NH2+]Cc2scnc2C2CC2)CC1 ZINC000486962387 543400509 /nfs/dbraw/zinc/40/05/09/543400509.db2.gz CFHHHESLTDZXTI-UHFFFAOYSA-N 2 0 322.522 2.528 20 0 DFADRP CC[NH+]1CCN(c2ccc(C[NH2+][C@@H]3CC[C@@H]3C(C)C)cn2)CC1 ZINC000514099360 543422156 /nfs/dbraw/zinc/42/21/56/543422156.db2.gz NNUYYWLSOKZBRR-QZTJIDSGSA-N 2 0 316.493 2.748 20 0 DFADRP CC(C)CC[NH+]1CCC(CNC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC000354834003 147169777 /nfs/dbraw/zinc/16/97/77/147169777.db2.gz RRRZHLFZHQZTMR-WMZOPIPTSA-N 2 0 323.525 2.591 20 0 DFADRP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)[C@H](C)[NH+]1[C@@H](C)CC[C@@H]1C ZINC000354928570 147199086 /nfs/dbraw/zinc/19/90/86/147199086.db2.gz GLBXEKYLVWGJED-LUKYLMHMSA-N 2 0 309.498 2.628 20 0 DFADRP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@@H+]2Cc1ccc2c(c1)CCC2 ZINC000355216401 147225786 /nfs/dbraw/zinc/22/57/86/147225786.db2.gz FIAWOEVUFLUNPS-HSALFYBXSA-N 2 0 314.473 2.859 20 0 DFADRP CC[N@@H+]1CC[C@H](N(C)Cc2cc3c(cc2OC)OCO3)[C@@H](C)C1 ZINC000355359644 147282935 /nfs/dbraw/zinc/28/29/35/147282935.db2.gz SDHSMLZFPLIANQ-ZFWWWQNUSA-N 2 0 320.433 2.586 20 0 DFADRP Cc1ccc(-c2n[nH]cc2C[NH+]2CCC(C[NH+](C)C)CC2)o1 ZINC000350145340 286010577 /nfs/dbraw/zinc/01/05/77/286010577.db2.gz HITLCYCKCPRYRL-UHFFFAOYSA-N 2 0 302.422 2.752 20 0 DFADRP CC[NH+](CC)CC1CC[NH+](Cc2ccc([S@@](C)=O)cc2)CC1 ZINC000350176627 286015136 /nfs/dbraw/zinc/01/51/36/286015136.db2.gz NEJLLDBTCITNOR-JOCHJYFZSA-N 2 0 322.518 2.978 20 0 DFADRP C[C@@H](C(=O)N(CC[NH+](C)C)C1CCCCC1)[NH+]1CCCCCC1 ZINC000357942564 148185158 /nfs/dbraw/zinc/18/51/58/148185158.db2.gz FLWSMTNEDCSOQS-KRWDZBQOSA-N 2 0 323.525 2.974 20 0 DFADRP CC[NH+](CC)CC1CC[NH+](Cc2ccc3c(c2)nnn3C)CC1 ZINC000350225881 286019797 /nfs/dbraw/zinc/01/97/97/286019797.db2.gz YTYKRMCXFJHQPT-UHFFFAOYSA-N 2 0 315.465 2.522 20 0 DFADRP Cc1ccc(-c2ccc(CN3CCO[C@H](C[NH3+])C3)s2)cc1 ZINC000357969379 148194349 /nfs/dbraw/zinc/19/43/49/148194349.db2.gz PQXWWISRWWDWNJ-OAHLLOKOSA-N 2 0 302.443 2.883 20 0 DFADRP COCC[C@H]([NH2+]Cc1cc(C2CC[NH2+]CC2)no1)C(C)(C)C ZINC000425894454 296603170 /nfs/dbraw/zinc/60/31/70/296603170.db2.gz GTDCLECSHRLRER-INIZCTEOSA-N 2 0 309.454 2.682 20 0 DFADRP CC(C)C(=O)Nc1ccc(C[NH2+][C@@H]2CC[N@H+](C)C[C@H]2C)cc1 ZINC000358002569 148206945 /nfs/dbraw/zinc/20/69/45/148206945.db2.gz GRNTZCUAKWSGDV-RHSMWYFYSA-N 2 0 303.450 2.711 20 0 DFADRP C[C@H]1CN(C)C[C@@H]1[NH2+]CCOc1ccc(C(F)(F)F)cc1 ZINC000358024583 148215814 /nfs/dbraw/zinc/21/58/14/148215814.db2.gz RALROCKKWPRUPY-FZMZJTMJSA-N 2 0 302.340 2.624 20 0 DFADRP C[C@@H](NC1CC[NH+](C2CCCCC2)CC1)C(=O)NC(C)(C)C ZINC000358027517 148217675 /nfs/dbraw/zinc/21/76/75/148217675.db2.gz RVIFSCUENYCBHX-CQSZACIVSA-N 2 0 309.498 2.676 20 0 DFADRP COc1cc(C[NH+]2CCC(C[NH+](C)C)CC2)c(Cl)cc1O ZINC000637907901 543494548 /nfs/dbraw/zinc/49/45/48/543494548.db2.gz VAFXZHYENWAADJ-UHFFFAOYSA-N 2 0 312.841 2.828 20 0 DFADRP CO[C@H](c1ccccc1)[C@H](C)[NH2+]CCC[N@@H+]1CCCO[C@H](C)C1 ZINC000279609508 286023916 /nfs/dbraw/zinc/02/39/16/286023916.db2.gz XFRVBZGETSUNNF-AOIWGVFYSA-N 2 0 320.477 2.853 20 0 DFADRP CC[N@@H+]1CC[C@@H]([NH2+]CCOCc2cccc(OC)c2)[C@@H](C)C1 ZINC000358239809 148299267 /nfs/dbraw/zinc/29/92/67/148299267.db2.gz ZOEFIKPFZWHDSI-MAUKXSAKSA-N 2 0 306.450 2.532 20 0 DFADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]CC2(C)CCOCC2)[C@@H](C)C1 ZINC000358245324 148300752 /nfs/dbraw/zinc/30/07/52/148300752.db2.gz IAADKONRVGVRQK-IRXDYDNUSA-N 2 0 312.498 2.530 20 0 DFADRP COc1cc(C)c(C[C@@H](C)[NH2+]C[C@H](C)C[NH+](C)C)cc1OC ZINC000425914061 296604343 /nfs/dbraw/zinc/60/43/43/296604343.db2.gz AUCMELHWWIKMMM-DZGCQCFKSA-N 2 0 308.466 2.731 20 0 DFADRP Cc1cnc(CC[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)nc1 ZINC000358351029 148338035 /nfs/dbraw/zinc/33/80/35/148338035.db2.gz HBHRBJYGCLIXPO-MJGOQNOKSA-N 2 0 324.472 2.828 20 0 DFADRP CC[NH+](CC)CCOCC[NH2+]Cc1cc(F)c(F)cc1F ZINC000350318530 286028072 /nfs/dbraw/zinc/02/80/72/286028072.db2.gz ODSRKWYYRWKQNF-UHFFFAOYSA-N 2 0 304.356 2.552 20 0 DFADRP c1ccc(C[N@H+]2C[C@@H]3CCC[C@@H]([NH2+]CCN4CCC4)[C@H]3C2)cc1 ZINC000358572577 148389439 /nfs/dbraw/zinc/38/94/39/148389439.db2.gz QPHSBMPEPBQUTH-SLFFLAALSA-N 2 0 313.489 2.582 20 0 DFADRP Clc1cccc(CN2CC[NH+](CCC3CC[NH2+]CC3)CC2)c1 ZINC000359207118 148599582 /nfs/dbraw/zinc/59/95/82/148599582.db2.gz IQXQYMDNILIVPU-UHFFFAOYSA-N 2 0 321.896 2.847 20 0 DFADRP C[C@H](Cc1cnn(C)c1)[NH2+][C@H]1C[C@H](C)N(Cc2ccccc2)C1 ZINC000350484972 286048828 /nfs/dbraw/zinc/04/88/28/286048828.db2.gz YDEMTWSTIFVSKT-GJYPPUQNSA-N 2 0 312.461 2.604 20 0 DFADRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H](C)c2ccncc2)[C@@H](C)C1 ZINC000247976795 286064637 /nfs/dbraw/zinc/06/46/37/286064637.db2.gz LDSKFGRHVBWLDF-JZXOWHBKSA-N 2 0 305.466 2.869 20 0 DFADRP Nc1cccc(C[N@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)c1 ZINC000660446354 543526705 /nfs/dbraw/zinc/52/67/05/543526705.db2.gz DZTYZTYBDYIZPZ-KDURUIRLSA-N 2 0 307.441 2.833 20 0 DFADRP Cc1c([C@@H](C)[NH2+]CC2CC[NH+](C)CC2)nnn1-c1ccccc1 ZINC000361175617 149047185 /nfs/dbraw/zinc/04/71/85/149047185.db2.gz QJLGXLVRJVBZFN-CQSZACIVSA-N 2 0 313.449 2.568 20 0 DFADRP Cn1cc(C[NH+]2CCC(CCC[NH+](C)C)CC2)c(C(F)F)n1 ZINC000361176700 149047739 /nfs/dbraw/zinc/04/77/39/149047739.db2.gz DPLNSILQHKGCLX-UHFFFAOYSA-N 2 0 314.424 2.912 20 0 DFADRP COCCNc1ccc(C[NH2+][C@@H]2C[C@H](C)[N@H+](C)C[C@@H]2C)cc1 ZINC000361183960 149049415 /nfs/dbraw/zinc/04/94/15/149049415.db2.gz HMBLZWLUMOKWCD-RLFYNMQTSA-N 2 0 305.466 2.563 20 0 DFADRP C[C@H]1C[C@H](NCC[NH+]2CCCC2)CC[N@@H+]1Cc1ccccc1 ZINC000361345146 149092241 /nfs/dbraw/zinc/09/22/41/149092241.db2.gz YCOYGDSWPOQKAV-PKOBYXMFSA-N 2 0 301.478 2.725 20 0 DFADRP Cc1nc2ccccc2n1CCCCC[N@@H+]1CCc2nn[nH]c2C1 ZINC000361389481 149103753 /nfs/dbraw/zinc/10/37/53/149103753.db2.gz JFAOZBYRROZTFI-UHFFFAOYSA-N 2 0 324.432 2.691 20 0 DFADRP C[C@@H]([NH2+]C[C@]1(C)CCOC1)c1cccc(OCC[NH+](C)C)c1 ZINC000361396336 149105299 /nfs/dbraw/zinc/10/52/99/149105299.db2.gz GARVOLPQDOZFRC-QAPCUYQASA-N 2 0 306.450 2.704 20 0 DFADRP CC[N@@H+]1CCC[C@H]1CN(C)C(=O)[C@H]1CC[NH+](C2CCCCC2)C1 ZINC000361495211 149130375 /nfs/dbraw/zinc/13/03/75/149130375.db2.gz CQJMQSMBDGESGJ-WMZOPIPTSA-N 2 0 321.509 2.584 20 0 DFADRP C[C@@H]1C[N@H+](CC(C)(C)C[NH+](C)Cc2ccccc2)C[C@@H]1CO ZINC000361663887 149185015 /nfs/dbraw/zinc/18/50/15/149185015.db2.gz XWSPYRNGABHFAE-SJLPKXTDSA-N 2 0 304.478 2.705 20 0 DFADRP C[C@H]([NH2+][C@H]1CCN(C)[C@@H](C)C1)c1ccc(OCC[NH+](C)C)cc1 ZINC000361770599 149215239 /nfs/dbraw/zinc/21/52/39/149215239.db2.gz VWNUDRUDCJZUNU-BQFCYCMXSA-N 2 0 319.493 2.760 20 0 DFADRP C[C@H](C(=O)N1CC[NH+](C2CCCCC2)CC1)[NH+]1CCCCCC1 ZINC000361875306 149243038 /nfs/dbraw/zinc/24/30/38/149243038.db2.gz ZUGYUSQBLRIYDJ-QGZVFWFLSA-N 2 0 321.509 2.728 20 0 DFADRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H](C)Cc2ccoc2)[C@H](C)C1 ZINC000361930930 149258332 /nfs/dbraw/zinc/25/83/32/149258332.db2.gz SQKPHDVKOOLSOJ-RYRKJORJSA-N 2 0 308.466 2.937 20 0 DFADRP C[C@@H]([NH2+]C1CCC(CO)CC1)c1cccc(OCC[NH+](C)C)c1 ZINC000361979679 149269312 /nfs/dbraw/zinc/26/93/12/149269312.db2.gz BLLOVNKCNNAGKD-KLHKWILBSA-N 2 0 320.477 2.829 20 0 DFADRP CC(C)[NH+]1CCC(N(C)C(=O)c2ccccc2C[NH+](C)C)CC1 ZINC000362547805 149303771 /nfs/dbraw/zinc/30/37/71/149303771.db2.gz MVZAIQVXJZGSPH-UHFFFAOYSA-N 2 0 317.477 2.693 20 0 DFADRP C[NH+](C)CCOc1cc(C[NH2+]C2CCC3(CC3)CC2)ccn1 ZINC000362922778 149398277 /nfs/dbraw/zinc/39/82/77/149398277.db2.gz FWFZTIADWFLATC-UHFFFAOYSA-N 2 0 303.450 2.834 20 0 DFADRP CC[C@@H]1C[N@@H+]2CCCC[C@H]2CN1C(=O)C[C@H]([NH3+])c1ccccc1 ZINC000371280292 150014979 /nfs/dbraw/zinc/01/49/79/150014979.db2.gz OQRMRMYLZWPHGL-SQNIBIBYSA-N 2 0 315.461 2.552 20 0 DFADRP c1[nH]c(-c2ccccc2)nc1CN1C[C@@H]2C[N@@H+]3CCCC[C@@H]3[C@H]2C1 ZINC000371402793 150040266 /nfs/dbraw/zinc/04/02/66/150040266.db2.gz BQMWAMKGOBUAKB-NZSAHSFTSA-N 2 0 322.456 2.993 20 0 DFADRP CCOC(=O)CCCC[NH+]1CCC2(C[C@@H]2C[N@H+](C)C2CC2)CC1 ZINC000371418648 150043548 /nfs/dbraw/zinc/04/35/48/150043548.db2.gz PPLGCBMCFDXAMT-MRXNPFEDSA-N 2 0 322.493 2.916 20 0 DFADRP Cn1cc(-c2ccccc2C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)cn1 ZINC000371429397 150045026 /nfs/dbraw/zinc/04/50/26/150045026.db2.gz DBQRXGDJDJPVAJ-QZTJIDSGSA-N 2 0 310.445 2.804 20 0 DFADRP C[C@H](CCc1ccc2c(c1)OCO2)[NH2+][C@H]1CCc2nccn2C1 ZINC000371479149 150052847 /nfs/dbraw/zinc/05/28/47/150052847.db2.gz DLKYDGVZAYDPMO-HIFRSBDPSA-N 2 0 313.401 2.538 20 0 DFADRP C[C@@H](CCc1ccc2c(c1)OCO2)[NH2+][C@H]1CCc2nccn2C1 ZINC000371479151 150053242 /nfs/dbraw/zinc/05/32/42/150053242.db2.gz DLKYDGVZAYDPMO-ZFWWWQNUSA-N 2 0 313.401 2.538 20 0 DFADRP Fc1ccc(C[NH+]2CCC(CC[NH+]3CCOCC3)CC2)cc1 ZINC000371494419 150055950 /nfs/dbraw/zinc/05/59/50/150055950.db2.gz FEVZVKRZXVHWHO-UHFFFAOYSA-N 2 0 306.425 2.760 20 0 DFADRP C[C@H]([NH2+]Cc1ccc(-n2ccnc2)nc1)c1cccc(CO)c1 ZINC000372258143 150154763 /nfs/dbraw/zinc/15/47/63/150154763.db2.gz KJDFGJMWTJTVKY-AWEZNQCLSA-N 2 0 308.385 2.610 20 0 DFADRP Cc1ccc(F)cc1C[N@@H+](C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000372459838 150176307 /nfs/dbraw/zinc/17/63/07/150176307.db2.gz JKPLDSVNKITVDS-LJQANCHMSA-N 2 0 319.468 2.734 20 0 DFADRP Cc1nc2c(c(N(C)C[C@@H]3CCn4ccnc4C3)n1)CCCC2 ZINC000373042941 150219931 /nfs/dbraw/zinc/21/99/31/150219931.db2.gz ADBAXBZYXDFEPU-CQSZACIVSA-N 2 0 311.433 2.559 20 0 DFADRP CN1CCC([NH+]2CCC(CC[N@H+](C)Cc3ccco3)CC2)CC1 ZINC000374283751 150336584 /nfs/dbraw/zinc/33/65/84/150336584.db2.gz MSZTWUQMHYGUCM-UHFFFAOYSA-N 2 0 319.493 2.908 20 0 DFADRP C[C@H]1C[N@H+](CCCc2ccccc2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000374322232 150344249 /nfs/dbraw/zinc/34/42/49/150344249.db2.gz CLVAKUQSUXLERE-AZUAARDMSA-N 2 0 315.505 2.577 20 0 DFADRP C[C@H]([NH2+]C[C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1)[C@H]1CCOC1 ZINC000374526804 150373567 /nfs/dbraw/zinc/37/35/67/150373567.db2.gz LSGSKBOBTXHBCG-CAMMJAKZSA-N 2 0 302.462 2.912 20 0 DFADRP CCC[NH+]1CCC([NH2+]C[C@@H]2Cc3ccccc3N(C)C2)CC1 ZINC000375356423 150436407 /nfs/dbraw/zinc/43/64/07/150436407.db2.gz ZQIAZNGXOYMOIO-INIZCTEOSA-N 2 0 301.478 2.759 20 0 DFADRP CCc1nocc1C[NH+]1CCC(CCC[N@H+](C)CCOC)CC1 ZINC000351687256 286193818 /nfs/dbraw/zinc/19/38/18/286193818.db2.gz VMCKPXVPLCLKBF-UHFFFAOYSA-N 2 0 323.481 2.807 20 0 DFADRP Cn1nccc1[C@H]1CCC[C@H]([NH2+]CCC2CC[NH+](C)CC2)C1 ZINC000376081613 150527591 /nfs/dbraw/zinc/52/75/91/150527591.db2.gz MKFFFZGSVITRKD-IRXDYDNUSA-N 2 0 304.482 2.768 20 0 DFADRP CCOCCC[NH+]1CCC(CC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000426809567 296641976 /nfs/dbraw/zinc/64/19/76/296641976.db2.gz FGCDVHIOLXMTRY-IAGOWNOFSA-N 2 0 312.498 2.624 20 0 DFADRP CC[NH+](CC)Cc1ccccc1CNC(=O)[C@@H]1CCC[NH2+][C@@H]1C ZINC000377588131 150712257 /nfs/dbraw/zinc/71/22/57/150712257.db2.gz OGWUXEYKXBIATB-CRAIPNDOSA-N 2 0 317.477 2.533 20 0 DFADRP CCN(CCC[NH+]1CCCC1)C(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC000351781938 286217274 /nfs/dbraw/zinc/21/72/74/286217274.db2.gz IWTBMGWRJLQQFK-GOSISDBHSA-N 2 0 321.509 2.728 20 0 DFADRP CCN(CCC[NH+]1CCCC1)C(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC000351787809 286218520 /nfs/dbraw/zinc/21/85/20/286218520.db2.gz XGHIEUPBOAPCLF-SFHVURJKSA-N 2 0 323.525 2.831 20 0 DFADRP CC[NH+](CC)C[C@@H]1CCCC[C@H]1NC(=O)C[C@@H]1CCC[NH2+]CC1 ZINC000427269067 296652126 /nfs/dbraw/zinc/65/21/26/296652126.db2.gz GHQUMTSURTUWME-FGTMMUONSA-N 2 0 323.525 2.783 20 0 DFADRP CCC[C@H]([NH2+]C(C)C)C(=O)Nc1ccc(OCC[NH+](C)C)cc1 ZINC000351897552 286239856 /nfs/dbraw/zinc/23/98/56/286239856.db2.gz PUAKVAKYILXIQF-KRWDZBQOSA-N 2 0 321.465 2.732 20 0 DFADRP C[C@H](CCNC(=O)C1(C[NH+](C)C)CCCCC1)[NH+]1CCCCC1 ZINC000427472272 296658173 /nfs/dbraw/zinc/65/81/73/296658173.db2.gz PKOIHVWSADNBGH-QGZVFWFLSA-N 2 0 323.525 2.879 20 0 DFADRP CC[N@H+](C)C[C@@H]1CCN(Cc2ccc3c(c2)OC(F)(F)O3)C1 ZINC000352004733 286267261 /nfs/dbraw/zinc/26/72/61/286267261.db2.gz PRMBTQGROCCYSZ-ZDUSSCGKSA-N 2 0 312.360 2.782 20 0 DFADRP CCO[C@@H]1C[C@@H]([NH2+]CCCC[N@@H+]2CCC[C@H]2CO)C12CCCC2 ZINC000245914065 286280461 /nfs/dbraw/zinc/28/04/61/286280461.db2.gz PSLZIINEUDTFMR-RCCFBDPRSA-N 2 0 324.509 2.551 20 0 DFADRP CCC[C@@H]([NH2+]C(C)C)C(=O)NCCCC[N@@H+]1CCCC[C@H]1C ZINC000352155181 286307100 /nfs/dbraw/zinc/30/71/00/286307100.db2.gz CTOOJBAQAHXNJE-IAGOWNOFSA-N 2 0 311.514 2.924 20 0 DFADRP CCC[NH+]1CCC(N(C)Cc2c(C)nc3sc(C)nn23)CC1 ZINC000352295756 286338438 /nfs/dbraw/zinc/33/84/38/286338438.db2.gz BBTJYDJFCHXWEC-UHFFFAOYSA-N 2 0 321.494 2.714 20 0 DFADRP [NH3+]CC[C@H]1CCCC[N@@H+]1CCC(=O)NCc1ccccc1Cl ZINC000352504072 286391279 /nfs/dbraw/zinc/39/12/79/286391279.db2.gz MWWGYLJNOXSCTE-OAHLLOKOSA-N 2 0 323.868 2.550 20 0 DFADRP [NH3+]CCC[N@H+](CCC(=O)Nc1ccccc1F)CC1CCCC1 ZINC000352489002 286386473 /nfs/dbraw/zinc/38/64/73/286386473.db2.gz WWPHLGRXFRNXOS-UHFFFAOYSA-N 2 0 321.440 2.995 20 0 DFADRP CCO[C@@H]1C[C@H]([NH2+]C[C@@H](C)C[NH+]2CCCCC2)C12CCOCC2 ZINC000186261204 286387684 /nfs/dbraw/zinc/38/76/84/286387684.db2.gz MZYWNSMZTYJAON-FGTMMUONSA-N 2 0 324.509 2.672 20 0 DFADRP [NH3+]CC[C@@H]1CCCC[N@@H+]1Cc1ccc(OC[C@@H]2CCCO2)cc1 ZINC000352495171 286388162 /nfs/dbraw/zinc/38/81/62/286388162.db2.gz JERZOFYDIZGIHN-HKUYNNGSSA-N 2 0 318.461 2.948 20 0 DFADRP C[C@H](NC(=O)C[N@H+](CCC[NH3+])CC1CCCC1)c1cccs1 ZINC000352496741 286388800 /nfs/dbraw/zinc/38/88/00/286388800.db2.gz YZTBTYNYOQOUFM-AWEZNQCLSA-N 2 0 323.506 2.766 20 0 DFADRP Cc1c(F)cccc1NC(=O)CC[N@@H+]1CCCC[C@H]1CC[NH3+] ZINC000352487241 286385969 /nfs/dbraw/zinc/38/59/69/286385969.db2.gz BOJLPGIPOGUFEA-AWEZNQCLSA-N 2 0 307.413 2.666 20 0 DFADRP C[C@H]1CCC[C@H](C)N1C(=O)C[N@H+](CCC[NH3+])CC1CCCC1 ZINC000352524516 286397823 /nfs/dbraw/zinc/39/78/23/286397823.db2.gz BPGQGSBUTDKIOS-HOTGVXAUSA-N 2 0 309.498 2.617 20 0 DFADRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@H]1CCCOc2cc(F)ccc21 ZINC000182113520 286443161 /nfs/dbraw/zinc/44/31/61/286443161.db2.gz VGPRTELPUVEIMF-WBVHZDCISA-N 2 0 324.440 2.986 20 0 DFADRP CC[NH+](CC)CC1CC[NH+](Cc2cccc(O)c2OC)CC1 ZINC000352714558 286449093 /nfs/dbraw/zinc/44/90/93/286449093.db2.gz FGGAITNCQBYVJG-UHFFFAOYSA-N 2 0 306.450 2.955 20 0 DFADRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+]C/C=C\c1ccc(F)c(F)c1 ZINC000352740841 286455737 /nfs/dbraw/zinc/45/57/37/286455737.db2.gz ASMRNVUAOTUZKD-ABCZVMIZSA-N 2 0 323.431 2.594 20 0 DFADRP CCOc1ccc([C@@H](C)[NH2+]CCCN2CC[NH+](CC)CC2)cc1 ZINC000154324614 286567666 /nfs/dbraw/zinc/56/76/66/286567666.db2.gz SOGQFRBRTPVUNC-QGZVFWFLSA-N 2 0 319.493 2.764 20 0 DFADRP Cc1ccc2c(c1)[C@@H]([NH2+]C[C@@H](C)CN1CC[NH+](C)CC1)[C@H](C)C2 ZINC000180439624 292352158 /nfs/dbraw/zinc/35/21/58/292352158.db2.gz YIWASZGSWURMHA-HLIPFELVSA-N 2 0 315.505 2.701 20 0 DFADRP CC[C@H]([NH2+]C[C@@H](C)C[NH+]1CCCCC1)C1(C(=O)OC)CCC1 ZINC000353339171 286617603 /nfs/dbraw/zinc/61/76/03/286617603.db2.gz VRFCUIQNHUBARL-CVEARBPZSA-N 2 0 310.482 2.820 20 0 DFADRP CC(C)O[C@H]1C[C@@H]([NH2+]C2CC[NH+](C[C@@H]3CCOC3)CC2)C1(C)C ZINC000185227730 158050170 /nfs/dbraw/zinc/05/01/70/158050170.db2.gz ZMORAMHFOUEOQC-JQHSSLGASA-N 2 0 324.509 2.669 20 0 DFADRP COc1cccc(OCCC[NH2+][C@@H]2C[C@H](C)[N@H+](C)C[C@@H]2C)c1 ZINC000246271231 158082995 /nfs/dbraw/zinc/08/29/95/158082995.db2.gz APLAOMZAHAFQLF-RLFYNMQTSA-N 2 0 306.450 2.782 20 0 DFADRP CC[N@@H+]1CC[C@@H](C[NH2+][C@H](C)c2ccc(OCC[NH+](C)C)cc2)C1 ZINC000246944362 158106975 /nfs/dbraw/zinc/10/69/75/158106975.db2.gz HUBJROOUUKEGPK-SJORKVTESA-N 3 0 319.493 2.619 20 0 DFADRP C[C@H]([NH2+]C[C@H]1CC[N@H+](CCc2ccccc2)C1)[C@@H]1CCOC1 ZINC000247022647 158113896 /nfs/dbraw/zinc/11/38/96/158113896.db2.gz NADBBPJWJOTMEA-QXAKKESOSA-N 2 0 302.462 2.566 20 0 DFADRP CC[N@@H+]1CC[C@@H]([NH2+]CCc2cnn(-c3ccccc3)c2)[C@@H](C)C1 ZINC000247186981 158121906 /nfs/dbraw/zinc/12/19/06/158121906.db2.gz VOVHQKGUSZNGMC-QFBILLFUSA-N 2 0 312.461 2.735 20 0 DFADRP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccc3c(c2)OCCO3)[C@@H](C)C1 ZINC000247221634 158123439 /nfs/dbraw/zinc/12/34/39/158123439.db2.gz RHLVXLNGXLSEJV-GOEBONIOSA-N 2 0 304.434 2.620 20 0 DFADRP COc1ccccc1[C@@H](C)[NH2+]CCCC[N@@H+]1CCC[C@H]1CO ZINC000247930406 158151389 /nfs/dbraw/zinc/15/13/89/158151389.db2.gz BZZFSSJRFXYUAU-CVEARBPZSA-N 2 0 306.450 2.583 20 0 DFADRP CC[C@@H](O)C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000247961275 158153929 /nfs/dbraw/zinc/15/39/29/158153929.db2.gz GGAICTPKPXLIFT-IPMKNSEASA-N 2 0 302.462 2.744 20 0 DFADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CCOc2ccccc2)[C@@H](C)C1 ZINC000248026418 158156750 /nfs/dbraw/zinc/15/67/50/158156750.db2.gz PBYKRZYBZIABEH-PKOBYXMFSA-N 2 0 320.477 2.792 20 0 DFADRP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3ccc(-n4cccn4)cc3)CC[C@H]21 ZINC000248062006 158159205 /nfs/dbraw/zinc/15/92/05/158159205.db2.gz LWQYLQOBSVKJIO-IEBWSBKVSA-N 2 0 310.445 2.788 20 0 DFADRP CC(=O)Nc1cccc(C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)c1 ZINC000248215886 158166106 /nfs/dbraw/zinc/16/61/06/158166106.db2.gz ZQUMUMLHOSNDEM-WMZOPIPTSA-N 2 0 301.434 2.561 20 0 DFADRP CCOCC[NH2+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000248389174 158170674 /nfs/dbraw/zinc/17/06/74/158170674.db2.gz AOALRBVAGMHLFR-GUDVDZBRSA-N 2 0 302.462 2.913 20 0 DFADRP CC(C)[C@](C)(O)C[NH2+][C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000248414053 158173635 /nfs/dbraw/zinc/17/36/35/158173635.db2.gz MBEMJSNVAZOCAI-MTQWCTHYSA-N 2 0 316.489 2.894 20 0 DFADRP COC[C@H]([NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]12)C1CC1 ZINC000248418024 158175085 /nfs/dbraw/zinc/17/50/85/158175085.db2.gz SAEUNOXVGQXAMS-WCIQWLHISA-N 2 0 314.473 2.912 20 0 DFADRP C[C@H](N[C@@H]1CC[N@@H+]2CCC[C@H]2C1)[C@@H](c1ccccc1)[NH+](C)C ZINC000248627820 158190583 /nfs/dbraw/zinc/19/05/83/158190583.db2.gz FSNRUUGKPDLDJO-NQYYFHDYSA-N 2 0 301.478 2.894 20 0 DFADRP COc1ncccc1CN1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000248654627 158194824 /nfs/dbraw/zinc/19/48/24/158194824.db2.gz AQYAUHAINHWCBY-WMLDXEAASA-N 2 0 301.434 2.539 20 0 DFADRP CCOc1cccc(CN2CC[C@@H]([NH3+])[C@@H](C)C2)c1OC(F)F ZINC000347138792 158226333 /nfs/dbraw/zinc/22/63/33/158226333.db2.gz VAYJGJZXGLQJNG-WCQYABFASA-N 2 0 314.376 2.856 20 0 DFADRP CCC[C@@H]1CN(c2cc[nH+]c(C)c2Cl)CC[N@@H+]1CCOC ZINC000355100541 158274651 /nfs/dbraw/zinc/27/46/51/158274651.db2.gz SDNYTSJPJMDNBE-CQSZACIVSA-N 2 0 311.857 2.981 20 0 DFADRP C[C@H](CO)CCC[NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]12 ZINC000356903820 158320399 /nfs/dbraw/zinc/32/03/99/158320399.db2.gz SONKGLHPQQFVMW-MTFMMBMASA-N 2 0 316.489 2.895 20 0 DFADRP Cc1ccoc1C[NH+]1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000356932014 158325595 /nfs/dbraw/zinc/32/55/95/158325595.db2.gz IVJYNROOWCTUEV-UHFFFAOYSA-N 2 0 306.450 2.912 20 0 DFADRP C[C@@H]1C[C@H](C[NH+]2CCC(CCC[NH+]3CCOCC3)CC2)CCO1 ZINC000356936767 158325946 /nfs/dbraw/zinc/32/59/46/158325946.db2.gz MRDAMMZALKCYNI-IEBWSBKVSA-N 2 0 324.509 2.626 20 0 DFADRP CC[C@H]1C[C@H](C[NH+]2CCC(OCC[NH+]3CCCC3)CC2)CCO1 ZINC000356986097 158339091 /nfs/dbraw/zinc/33/90/91/158339091.db2.gz JCFLCGMTLXHXNU-MSOLQXFVSA-N 2 0 324.509 2.768 20 0 DFADRP COCCOc1ccc(C[NH+]2CCC([C@@H]3CC[NH2+]C3)CC2)cc1 ZINC000357040765 158355090 /nfs/dbraw/zinc/35/50/90/158355090.db2.gz CFBZHOBAWQCHFU-GOSISDBHSA-N 2 0 318.461 2.533 20 0 DFADRP CCN(CC)c1ncc(C[NH+]2CCC([C@@H]3CC[NH2+]C3)CC2)s1 ZINC000357041707 158355114 /nfs/dbraw/zinc/35/51/14/158355114.db2.gz DACMDLZTPUYFKS-OAHLLOKOSA-N 2 0 322.522 2.811 20 0 DFADRP COc1cccc(CN2CC[C@@H]3C[NH2+]C[C@H]3C2)c1OC(C)C ZINC000357053429 158356693 /nfs/dbraw/zinc/35/66/93/158356693.db2.gz OTFZTHTZFNEUDT-ZBFHGGJFSA-N 2 0 304.434 2.524 20 0 DFADRP c1cnn(-c2cccc(C[NH+]3CCC([C@@H]4CC[NH2+]C4)CC3)c2)c1 ZINC000357052588 158357353 /nfs/dbraw/zinc/35/73/53/158357353.db2.gz NWQYSVPPPMYXQV-GOSISDBHSA-N 2 0 310.445 2.694 20 0 DFADRP c1[nH]nc(-c2ccccc2)c1C[NH+]1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000357060911 158359398 /nfs/dbraw/zinc/35/93/98/158359398.db2.gz YPKFNHZVRFVAFG-KRWDZBQOSA-N 2 0 310.445 2.898 20 0 DFADRP CCOc1ccccc1OCC[NH+]1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000357068282 158359997 /nfs/dbraw/zinc/35/99/97/158359997.db2.gz DSKCEZWZCFWSAS-KRWDZBQOSA-N 2 0 318.461 2.786 20 0 DFADRP Cc1cc(C)n(-c2ccc(C[N@@H+]3CC[C@H]4C[NH2+]C[C@H]4C3)cc2)n1 ZINC000357086991 158363416 /nfs/dbraw/zinc/36/34/16/158363416.db2.gz RZZTZEJVWSFJCG-ROUUACIJSA-N 2 0 310.445 2.530 20 0 DFADRP C[C@H](CC[NH+](C)C)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000358670747 158397567 /nfs/dbraw/zinc/39/75/67/158397567.db2.gz WVOGERNTSWJGKM-ZIFCJYIRSA-N 2 0 303.494 2.969 20 0 DFADRP CC[NH2+]CC1CC[NH+](CCCOc2ccc(OC)cc2)CC1 ZINC000430583532 296797503 /nfs/dbraw/zinc/79/75/03/296797503.db2.gz MUULEJSXBKOSBX-UHFFFAOYSA-N 2 0 306.450 2.786 20 0 DFADRP CC[NH2+]CC1CC[NH+]([C@@H](C)C(=O)N[C@H](C)c2ccccc2)CC1 ZINC000430587566 296798010 /nfs/dbraw/zinc/79/80/10/296798010.db2.gz WJFVGHFDNVCWFB-CVEARBPZSA-N 2 0 317.477 2.574 20 0 DFADRP C[C@H]([NH3+])C1CC[NH+]([C@@H](C)C(=O)Nc2cccc(Cl)c2)CC1 ZINC000430933918 296813241 /nfs/dbraw/zinc/81/32/41/296813241.db2.gz MWRAIOLATLCVDT-RYUDHWBXSA-N 2 0 309.841 2.726 20 0 DFADRP Cc1ccc(NC(=O)[C@H](C)[NH+]2CCC([C@@H](C)[NH3+])CC2)c(C)c1 ZINC000430948000 296814285 /nfs/dbraw/zinc/81/42/85/296814285.db2.gz GRYUPVXUROMGHG-CABCVRRESA-N 2 0 303.450 2.690 20 0 DFADRP C[C@@H]([NH3+])[C@H](C)C(=O)NCc1cccc(C[NH+]2CCC(C)CC2)c1 ZINC000192104335 286920350 /nfs/dbraw/zinc/92/03/50/286920350.db2.gz VRBWDPIUNHAQSL-JKSUJKDBSA-N 2 0 317.477 2.518 20 0 DFADRP C[C@@H](O)[C@@](C)(C[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1)Cc1ccccc1 ZINC000188902061 287112461 /nfs/dbraw/zinc/11/24/61/287112461.db2.gz OXGFUDFMGQIQAQ-PSBWJHGTSA-N 2 0 304.478 2.689 20 0 DFADRP CC[N@@H+]1CC[C@@H]([NH2+]C[C@@H](C)Oc2ccccc2OC)[C@H](C)C1 ZINC000129569711 196059105 /nfs/dbraw/zinc/05/91/05/196059105.db2.gz LPHKUJVRBUQDGI-BZUAXINKSA-N 2 0 306.450 2.782 20 0 DFADRP CC[N@H+](Cc1ccc(C(=O)N2CCCC[C@@H]2C[NH3+])cc1)C(C)C ZINC000131002877 196130980 /nfs/dbraw/zinc/13/09/80/196130980.db2.gz UDAREOFAKYNTQO-GOSISDBHSA-N 2 0 317.477 2.870 20 0 DFADRP [NH3+]Cc1ccc(NC(=O)[C@H]2CCC[N@@H+]2Cc2ccccc2)cc1 ZINC000131437043 196169249 /nfs/dbraw/zinc/16/92/49/196169249.db2.gz PMIUIFBBMLPLRW-GOSISDBHSA-N 2 0 309.413 2.748 20 0 DFADRP C[C@H]([NH2+]CC(C)(C)C[NH+](C)C)c1cccc(N2CCOC2=O)c1 ZINC000132103498 196226923 /nfs/dbraw/zinc/22/69/23/196226923.db2.gz ZXZFCNLYZATNEV-AWEZNQCLSA-N 2 0 319.449 2.882 20 0 DFADRP COc1ccc([C@H](C)[NH2+]C[C@@H](C(C)C)N2CC[NH+](C)CC2)cc1 ZINC000132328335 196246719 /nfs/dbraw/zinc/24/67/19/196246719.db2.gz JYEZICJJFBDXHF-LPHOPBHVSA-N 2 0 319.493 2.618 20 0 DFADRP Cc1cccc([C@@H](C)[NH2+]C[C@@H](C(C)C)N2CC[NH+](C)CC2)c1 ZINC000132374859 196250223 /nfs/dbraw/zinc/25/02/23/196250223.db2.gz MNOLVFYICJXVFZ-MJGOQNOKSA-N 2 0 303.494 2.918 20 0 DFADRP CC(C)[C@H](C[NH2+][C@@H](C)c1ccccc1F)N1CC[NH+](C)CC1 ZINC000132321657 196245812 /nfs/dbraw/zinc/24/58/12/196245812.db2.gz QFBNIOUWLVMMDR-YJBOKZPZSA-N 2 0 307.457 2.748 20 0 DFADRP CC[C@H]1CCC[N@H+](CC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC000132618535 196270600 /nfs/dbraw/zinc/27/06/00/196270600.db2.gz VFBKRZQERDOOLA-WMZOPIPTSA-N 2 0 317.477 2.528 20 0 DFADRP C[C@@H]([NH2+]Cc1ccc(C[NH+]2CCC(O)CC2)cc1)C1(C)CC1 ZINC000132774139 196282660 /nfs/dbraw/zinc/28/26/60/196282660.db2.gz LKWWYAQXEYFNJO-OAHLLOKOSA-N 2 0 302.462 2.922 20 0 DFADRP C[C@@H](CSC(C)(C)C)[NH2+]C1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000132958164 196299263 /nfs/dbraw/zinc/29/92/63/196299263.db2.gz JKDNDHAYMFYSPT-LSDHHAIUSA-N 2 0 314.539 2.997 20 0 DFADRP c1cc2c(cccc2C[NH+]2CCC(C[NH+]3CCOCC3)CC2)[nH]1 ZINC000134134451 196364152 /nfs/dbraw/zinc/36/41/52/196364152.db2.gz XQISSBWESYXXKF-UHFFFAOYSA-N 2 0 313.445 2.712 20 0 DFADRP C[NH+](C)C[C@@H](NC(=O)Nc1ccc2c(c1)C[NH2+]C2)c1ccccc1 ZINC000667852544 543692552 /nfs/dbraw/zinc/69/25/52/543692552.db2.gz NHSVBQYRRMBVEU-GOSISDBHSA-N 2 0 324.428 2.714 20 0 DFADRP C[NH+]1CCC(C[NH2+][C@@H]2CCC[C@@H]3C[C@@H]32)(N2CCCCC2)CC1 ZINC000667879763 543696905 /nfs/dbraw/zinc/69/69/05/543696905.db2.gz AHVREOQPZSIRBK-FGTMMUONSA-N 2 0 305.510 2.715 20 0 DFADRP CC[N@@H+]1CC[C@H](N(C)Cc2ccnn2-c2cc[nH+]cc2)C[C@@H]1C ZINC000667664099 543654063 /nfs/dbraw/zinc/65/40/63/543654063.db2.gz CITXGEUWXOQMAR-RDJZCZTQSA-N 2 0 313.449 2.572 20 0 DFADRP C[NH+]1CCN(C[C@H]([NH2+][C@@H]2CCCC23CC3)c2ccccc2)CC1 ZINC000667756258 543673306 /nfs/dbraw/zinc/67/33/06/543673306.db2.gz PQYGOBAAKFSAAC-RBUKOAKNSA-N 2 0 313.489 2.897 20 0 DFADRP O[C@@H]1CC[N@H+](Cc2ccccc2C[NH2+][C@@H]2CCC[C@@H]3C[C@@H]32)C1 ZINC000667961945 543713753 /nfs/dbraw/zinc/71/37/53/543713753.db2.gz BYWKFWWZUNOURA-DQEVTTJGSA-N 2 0 300.446 2.531 20 0 DFADRP OC[C@H]1CCC[N@@H+]1Cc1ccccc1C[NH2+][C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000667962779 543713988 /nfs/dbraw/zinc/71/39/88/543713988.db2.gz ZPTOHBKMNUKPLZ-GEALJGNFSA-N 2 0 314.473 2.922 20 0 DFADRP CC[N@@H+]1C[C@H](C)N(C(=O)Nc2ccn3cc(C)nc3c2)C[C@H]1C ZINC000668158627 543753316 /nfs/dbraw/zinc/75/33/16/543753316.db2.gz ZBOVVWKOEQOOCX-KGLIPLIRSA-N 2 0 315.421 2.589 20 0 DFADRP CCn1nccc1[C@@H]1OCCC[C@H]1C[N@H+](CC)CCC[NH+](C)C ZINC000668166259 543756252 /nfs/dbraw/zinc/75/62/52/543756252.db2.gz WKNGXUWBLKMWEW-FUHWJXTLSA-N 2 0 322.497 2.644 20 0 DFADRP C[C@@H]1[C@H]([NH2+][C@H]2CO[C@@H](C3CC3)C2)CCN1Cc1ccccc1 ZINC000668174625 543759222 /nfs/dbraw/zinc/75/92/22/543759222.db2.gz SGQMZVRYEUHZKS-UTRMSSBJSA-N 2 0 300.446 2.807 20 0 DFADRP OCC1([C@H]([NH2+]Cc2cnc3n2CCC3)c2ccccc2)CCC1 ZINC000668193172 543763929 /nfs/dbraw/zinc/76/39/29/543763929.db2.gz YWFGAUJGHHHHRN-GOSISDBHSA-N 2 0 311.429 2.823 20 0 DFADRP C[NH+](C)CCOc1ccc(C[N@@H+]2CCO[C@@](C)(C3CC3)C2)cc1 ZINC000668462445 543810734 /nfs/dbraw/zinc/81/07/34/543810734.db2.gz GEFWFJQUKSZIPG-LJQANCHMSA-N 2 0 318.461 2.628 20 0 DFADRP CC(C)[C@H](C[NH+]1CCC([N@@H+]2CC[C@@H](O)C2)CC1)c1ccccc1 ZINC000668738464 543857090 /nfs/dbraw/zinc/85/70/90/543857090.db2.gz DHUJVBNKFCQVNE-UXHICEINSA-N 2 0 316.489 2.957 20 0 DFADRP C[C@@H]1CCC[C@@H](C)N1C(=O)C[N@@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000366866707 287385785 /nfs/dbraw/zinc/38/57/85/287385785.db2.gz RUDHPQPHYFVOPH-IAGOWNOFSA-N 2 0 321.509 2.584 20 0 DFADRP C[NH+](C)CCC[C@@H]1C[N@H+](Cc2cccc3[nH]ccc32)CCO1 ZINC000668785591 543867622 /nfs/dbraw/zinc/86/76/22/543867622.db2.gz SOFLKRXCAKBUJJ-MRXNPFEDSA-N 2 0 301.434 2.711 20 0 DFADRP C[C@@H]1CN(Cc2ccccc2)CC[C@H]1[NH2+][C@H]1CC[C@@H](CO)C1 ZINC000296633592 226070077 /nfs/dbraw/zinc/07/00/77/226070077.db2.gz XOOHZTSLWBLWQZ-OQIJWPOYSA-N 2 0 302.462 2.648 20 0 DFADRP C[NH+](C)CCOc1ccc(C[N@@H+]2CCC[C@@H]2[C@@H]2CCCO2)cc1 ZINC000671309020 544066829 /nfs/dbraw/zinc/06/68/29/544066829.db2.gz GDUPGUBRDSBKKK-MOPGFXCFSA-N 2 0 318.461 2.770 20 0 DFADRP COC(C)(C)[C@H](C)[NH2+]C[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000671109049 544055948 /nfs/dbraw/zinc/05/59/48/544055948.db2.gz UWXNYZZAGJTGEY-FUHWJXTLSA-N 2 0 304.478 2.954 20 0 DFADRP C[N@@H+]1CC[C@H]([NH2+]CCN2CCCc3ccccc32)[C@H]2CCC[C@@H]21 ZINC000671743972 544104946 /nfs/dbraw/zinc/10/49/46/544104946.db2.gz KAVARJIRPOMHFU-HBFSDRIKSA-N 2 0 313.489 2.902 20 0 DFADRP C[C@@H]([NH2+]CCC1CC[NH+](C)CC1)c1ccc2[nH]c(=O)oc2c1 ZINC000671746661 544105881 /nfs/dbraw/zinc/10/58/81/544105881.db2.gz RPRYKLMFHFNGTA-GFCCVEGCSA-N 2 0 303.406 2.916 20 0 DFADRP C[C@@]1(C[NH2+]C2CCN(c3cc[nH+]cc3)CC2)CCCC[C@@H]1O ZINC000297322975 227006599 /nfs/dbraw/zinc/00/65/99/227006599.db2.gz CKQGJRRFLNAALX-ROUUACIJSA-N 2 0 303.450 2.581 20 0 DFADRP CC(C)[C@H](CO)C[NH2+][C@@H](C)c1cccc(OCC[NH+](C)C)c1 ZINC000672615550 544143332 /nfs/dbraw/zinc/14/33/32/544143332.db2.gz IDNJUAQLKJTLHN-RDJZCZTQSA-N 2 0 308.466 2.542 20 0 DFADRP CC(C)[C@@H](CO)C[NH2+][C@H](C)c1cccc(OCC[NH+](C)C)c1 ZINC000672615549 544143458 /nfs/dbraw/zinc/14/34/58/544143458.db2.gz IDNJUAQLKJTLHN-NVXWUHKLSA-N 2 0 308.466 2.542 20 0 DFADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@H](CO)c2ccc(Cl)cc2)[C@H](C)C1 ZINC000672619132 544143752 /nfs/dbraw/zinc/14/37/52/544143752.db2.gz JEJNDFSKGJAWDO-UNEWFSDZSA-N 2 0 310.869 2.736 20 0 DFADRP C[NH+](C)[C@H]1CCCN([C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000297364877 227070799 /nfs/dbraw/zinc/07/07/99/227070799.db2.gz GBLCUMWIIFHJSO-RBUKOAKNSA-N 2 0 301.478 2.677 20 0 DFADRP CC[NH+](CC)Cc1ccc(C(=O)N[C@@H]2CCC[C@H]2[NH+](C)C)cc1 ZINC000673425374 544178965 /nfs/dbraw/zinc/17/89/65/544178965.db2.gz XMOJSZMGLMAMNE-QZTJIDSGSA-N 2 0 317.477 2.741 20 0 DFADRP CC[N@@H+]1CC[C@H]([NH+](C)CCOCc2ccc(OC)cc2)[C@@H](C)C1 ZINC000673716201 544193478 /nfs/dbraw/zinc/19/34/78/544193478.db2.gz SCNQIQBNJGUHES-LPHOPBHVSA-N 2 0 320.477 2.874 20 0 DFADRP CC[N@@H+]1CC[C@H]([NH+](C)CCOCc2ccc(OC)cc2)[C@H](C)C1 ZINC000673716192 544193684 /nfs/dbraw/zinc/19/36/84/544193684.db2.gz SCNQIQBNJGUHES-APWZRJJASA-N 2 0 320.477 2.874 20 0 DFADRP COc1ccc(F)cc1C[N@@H+]1CC[C@H](C2CC[NH+](C)CC2)C1 ZINC000291066797 222110136 /nfs/dbraw/zinc/11/01/36/222110136.db2.gz QLJMTRBDUNXICI-HNNXBMFYSA-N 2 0 306.425 2.998 20 0 DFADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CCN(c3ccccc3F)C2)[C@H](C)C1 ZINC000291210844 222224558 /nfs/dbraw/zinc/22/45/58/222224558.db2.gz MSMYZRXVYRYQQJ-RYRKJORJSA-N 2 0 319.468 2.972 20 0 DFADRP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCN(c3ccccc3F)C2)CC[N@@H+]1C ZINC000291221044 222234738 /nfs/dbraw/zinc/23/47/38/222234738.db2.gz NJWJXNJCLUTSOL-PMPSAXMXSA-N 2 0 305.441 2.724 20 0 DFADRP CC(C)[NH+]1CCC(O)(C[NH2+]Cc2ccccc2C2CC2)CC1 ZINC000675487181 544315603 /nfs/dbraw/zinc/31/56/03/544315603.db2.gz WKINJCSLGYQBTI-UHFFFAOYSA-N 2 0 302.462 2.889 20 0 DFADRP CC[C@@H]([NH2+]CC(C)(C)N1CC[NH+](C)CC1)c1cccc(OC)c1 ZINC000675741819 544332868 /nfs/dbraw/zinc/33/28/68/544332868.db2.gz IGJKFIBYMNCSPW-GOSISDBHSA-N 2 0 319.493 2.762 20 0 DFADRP C[C@H]([NH2+][C@@H](CC(=O)N(C)C)c1ccccc1)C1CC[NH+](C)CC1 ZINC000675770037 544334894 /nfs/dbraw/zinc/33/48/94/544334894.db2.gz PCAOHBRRVONUDA-YJBOKZPZSA-N 2 0 317.477 2.526 20 0 DFADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2ccc(O)cc2)[C@H](C)C1 ZINC000675802539 544337859 /nfs/dbraw/zinc/33/78/59/544337859.db2.gz STANPDCLNBATEG-CRAIPNDOSA-N 2 0 306.450 2.619 20 0 DFADRP C[C@@H]1C[N@H+](C)CC[C@H]1NCC[NH+]1CCC2(CCCCC2)CC1 ZINC000442868238 297208879 /nfs/dbraw/zinc/20/88/79/297208879.db2.gz NJBLSFFJORPTCV-QZTJIDSGSA-N 2 0 307.526 2.963 20 0 DFADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]C[C@H](C)c2ccncc2)[C@@H](C)C1 ZINC000675926272 544345031 /nfs/dbraw/zinc/34/50/31/544345031.db2.gz APAMHFOELKMEBE-LNLFQRSKSA-N 2 0 319.493 2.912 20 0 DFADRP COc1cncc(C[N@@H+]2CC[C@H](CNc3cc(C)cc[nH+]3)C2)c1 ZINC000676126336 544358515 /nfs/dbraw/zinc/35/85/15/544358515.db2.gz NFQXAXPQBVGYIZ-OAHLLOKOSA-N 2 0 312.417 2.728 20 0 DFADRP COc1cncc(C[N@@H+]2CC[C@@H](CNc3cc(C)cc[nH+]3)C2)c1 ZINC000676126335 544358556 /nfs/dbraw/zinc/35/85/56/544358556.db2.gz NFQXAXPQBVGYIZ-HNNXBMFYSA-N 2 0 312.417 2.728 20 0 DFADRP CCO[C@@H]1CCC[NH+]([C@@H](C)CC[N@H+]2CCC[C@@H](OCC)C2)C1 ZINC000676252552 544366179 /nfs/dbraw/zinc/36/61/79/544366179.db2.gz QYFFKKKUKVTHQI-RCCFBDPRSA-N 2 0 312.498 2.767 20 0 DFADRP CCc1cc(N2CC[NH+](C(C)(C)CO)CC2)c2ccccc2[nH+]1 ZINC000676878172 544410987 /nfs/dbraw/zinc/41/09/87/544410987.db2.gz OPDFHSRVWFNFEG-UHFFFAOYSA-N 2 0 313.445 2.690 20 0 DFADRP Cc1ccc2c(c1)[C@H]([NH2+]CC(C)(C)N1CC[NH+](C)CC1)CCC2 ZINC000677235666 544457007 /nfs/dbraw/zinc/45/70/07/544457007.db2.gz GZZCZZOYQPZZKX-LJQANCHMSA-N 2 0 315.505 2.988 20 0 DFADRP COC[C@H]1CC[N@H+](Cc2ccc(OCC[NH+]3CCCC3)cc2)C1 ZINC000678261036 544636393 /nfs/dbraw/zinc/63/63/93/544636393.db2.gz SABXMKAHUSBPKW-SFHVURJKSA-N 2 0 318.461 2.630 20 0 DFADRP CC[N@@H+]1C[C@H](C)N(Cc2ccc(OCC[NH+](C)C)cc2)C[C@H]1C ZINC000678272216 544640492 /nfs/dbraw/zinc/64/04/92/544640492.db2.gz CODNHEQWKWHXOY-SJORKVTESA-N 2 0 319.493 2.542 20 0 DFADRP COc1cccc2c1OCC[C@H]2[NH2+][C@H](C)C1CC[NH+](C)CC1 ZINC000678590114 544697466 /nfs/dbraw/zinc/69/74/66/544697466.db2.gz UAPAKEDSPSWLQK-CZUORRHYSA-N 2 0 304.434 2.839 20 0 DFADRP OC[C@@H](CC1CC1)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000678606100 544701231 /nfs/dbraw/zinc/70/12/31/544701231.db2.gz GSPIFWKKACJGMV-YGFFAISXSA-N 2 0 314.473 2.933 20 0 DFADRP C[C@H]([NH2+]Cc1ccccc1-c1cnn(C)c1)C1CC[NH+](C)CC1 ZINC000678608093 544702185 /nfs/dbraw/zinc/70/21/85/544702185.db2.gz HMJWJKIHIOLSKM-HNNXBMFYSA-N 2 0 312.461 2.907 20 0 DFADRP CC[N@H+](CCC1CCN(C(=O)[C@H](C)[NH+](C)C)CC1)CC(C)C ZINC000678652349 544708275 /nfs/dbraw/zinc/70/82/75/544708275.db2.gz ARUCGPWOCNFGNR-INIZCTEOSA-N 2 0 311.514 2.543 20 0 DFADRP C[C@H](C[NH2+][C@@H]1c2ccccc2CC[C@@H]1C)CN1CC[NH+](C)CC1 ZINC000678769260 544718077 /nfs/dbraw/zinc/71/80/77/544718077.db2.gz QMUMTZJGCKNLBF-UWVAXJGDSA-N 2 0 315.505 2.783 20 0 DFADRP C[C@@H](CCc1ccccc1)C[NH2+]CCCN1CCC[N@H+](C)CC1 ZINC000678954533 544756178 /nfs/dbraw/zinc/75/61/78/544756178.db2.gz FPOFUOJJIPZENU-IBGZPJMESA-N 2 0 317.521 2.873 20 0 DFADRP C[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+][C@H]2CCc3nccn3C2)CC1 ZINC000679025429 544769887 /nfs/dbraw/zinc/76/98/87/544769887.db2.gz SCMMXQQPRSZFPC-NJAFHUGGSA-N 2 0 316.493 2.831 20 0 DFADRP CCc1nc2ccccc2n1CC[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000679024736 544770284 /nfs/dbraw/zinc/77/02/84/544770284.db2.gz JHBRDHSETVJWNO-JKSUJKDBSA-N 2 0 312.461 2.815 20 0 DFADRP CCN1C[C@H]([NH2+][C@H](C)c2cccc(OCC[NH+](C)C)c2)[C@@H](C)C1 ZINC000679074965 544779034 /nfs/dbraw/zinc/77/90/34/544779034.db2.gz FVYJFJJNGFSMLA-FCEWJHQRSA-N 2 0 319.493 2.618 20 0 DFADRP Cc1ccc2c(c1)[C@@H]([NH2+]CC(C)(C)N1CC[NH+](C)CC1)[C@H](C)C2 ZINC000679332560 544836364 /nfs/dbraw/zinc/83/63/64/544836364.db2.gz WURPUZMULIDXBV-APWZRJJASA-N 2 0 315.505 2.844 20 0 DFADRP C[C@H](CCCCO)[NH2+]CC(C)(C)N1CCc2ccccc2C1 ZINC000679334612 544836762 /nfs/dbraw/zinc/83/67/62/544836762.db2.gz AHNNFGYZCDAOLB-MRXNPFEDSA-N 2 0 304.478 2.964 20 0 DFADRP C[NH+](C)CCOc1ccc(C[N@H+](C)C[C@H]2CCCC[C@@H]2O)cc1 ZINC000679359349 544841514 /nfs/dbraw/zinc/84/15/14/544841514.db2.gz BQUUDESOYIOEMI-MJGOQNOKSA-N 2 0 320.477 2.610 20 0 DFADRP C[C@H](c1ccncc1)[NH+]1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000679537595 544867548 /nfs/dbraw/zinc/86/75/48/544867548.db2.gz VXJOHEWAPWEWJA-QGZVFWFLSA-N 2 0 317.477 2.967 20 0 DFADRP Cc1cccc(N2CC[NH+](CCCC[NH2+]C3CSC3)CC2)c1 ZINC000679625329 544884864 /nfs/dbraw/zinc/88/48/64/544884864.db2.gz SXNPLVGVWXLVRH-UHFFFAOYSA-N 2 0 319.518 2.602 20 0 DFADRP C[C@@H]([NH2+]Cc1cn(C)nc1-c1ccccc1)C1CC[NH+](C)CC1 ZINC000679904193 544924695 /nfs/dbraw/zinc/92/46/95/544924695.db2.gz ARYQBKGLRHXEBM-OAHLLOKOSA-N 2 0 312.461 2.907 20 0 DFADRP Cc1cc(N(C)CC[NH+]2CCN(c3ccccc3)CC2)cc[nH+]1 ZINC000302571500 230304776 /nfs/dbraw/zinc/30/47/76/230304776.db2.gz PRFYZTACBKCJGM-UHFFFAOYSA-N 2 0 310.445 2.648 20 0 DFADRP CC[NH+](CC)CC(=O)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000063678088 425900822 /nfs/dbraw/zinc/90/08/22/425900822.db2.gz MGIZPIFYAONNMM-UHFFFAOYSA-N 2 0 317.477 2.631 20 0 DFADRP CC(C)=CC[NH+]1CCN(CC[N@@H+](C)Cc2ccccc2)CC1 ZINC000066534171 425904774 /nfs/dbraw/zinc/90/47/74/425904774.db2.gz SZOBZNLTJFGJQQ-UHFFFAOYSA-N 2 0 301.478 2.702 20 0 DFADRP COc1ccccc1C[NH2+]CCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000067453019 425910883 /nfs/dbraw/zinc/91/08/83/425910883.db2.gz ZLPZGIVXRLCDLN-IYBDPMFKSA-N 2 0 306.450 2.674 20 0 DFADRP CN(C)CC[NH+]1CCC(C[NH2+][C@@H]2CCCc3sccc32)CC1 ZINC000124487405 425922387 /nfs/dbraw/zinc/92/23/87/425922387.db2.gz IGJIXEYGZAHLDN-QGZVFWFLSA-N 2 0 321.534 2.989 20 0 DFADRP Cc1cccc(C[NH+]2CCN(CC[C@H]3CCC[N@H+]3C)CC2)c1 ZINC000124706349 425934366 /nfs/dbraw/zinc/93/43/66/425934366.db2.gz LFDLHUCWYUUKQI-LJQANCHMSA-N 2 0 301.478 2.597 20 0 DFADRP C[C@@H]([NH2+]CCCN1CC[NH+](C)CC1)c1ccc(F)c(Cl)c1 ZINC000020548846 267382452 /nfs/dbraw/zinc/38/24/52/267382452.db2.gz OBZXIRXOHLDAHX-CYBMUJFWSA-N 2 0 313.848 2.767 20 0 DFADRP COc1ccc(C[C@H](C)C[NH2+]CC2CC[NH+](C)CC2)cc1F ZINC000187336828 267853491 /nfs/dbraw/zinc/85/34/91/267853491.db2.gz RESVFHSPSLGJSI-AWEZNQCLSA-N 2 0 308.441 2.944 20 0 DFADRP CC[NH+](CC)[C@@H](C)CNC(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000044277035 425855771 /nfs/dbraw/zinc/85/57/71/425855771.db2.gz QHWZBDKFOVZDJO-AWEZNQCLSA-N 2 0 306.454 2.600 20 0 DFADRP C[C@@H]1C[C@@H](N(C)Cc2ccc3c(c2)sc(=O)n3C)CC[N@@H+]1C ZINC000192625194 268043605 /nfs/dbraw/zinc/04/36/05/268043605.db2.gz BVESLBMCRIOTHN-OCCSQVGLSA-N 2 0 319.474 2.515 20 0 DFADRP CC(C)[NH+]1CCN(CCC[N@H+](C)C[C@@H](C)c2nccs2)CC1 ZINC000192795079 268049217 /nfs/dbraw/zinc/04/92/17/268049217.db2.gz OJARYLRJJKSYIC-MRXNPFEDSA-N 2 0 324.538 2.595 20 0 DFADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCCNc2ncnc3c2cnn3C)C1 ZINC000194003926 268087067 /nfs/dbraw/zinc/08/70/67/268087067.db2.gz VDGCNKJZYSKWBF-OKILXGFUSA-N 2 0 316.453 2.533 20 0 DFADRP CCO[C@@H](CC[NH+](C)C)C[NH2+]Cc1nc(-c2ccccc2)c[nH]1 ZINC000194358131 268099742 /nfs/dbraw/zinc/09/97/42/268099742.db2.gz LVCVJMXJKJRRSS-INIZCTEOSA-N 2 0 316.449 2.523 20 0 DFADRP C[N@H+]1C[C@H]2CN(Cc3ccc(-c4ccncc4)cc3F)C[C@H]2C1 ZINC000194543591 268106398 /nfs/dbraw/zinc/10/63/98/268106398.db2.gz XDEYCBAVGNUESK-HDICACEKSA-N 2 0 311.404 2.881 20 0 DFADRP CSc1ccccc1[C@H](C)[NH2+]CCCN1CC[NH+](C)CC1 ZINC000194837162 268118722 /nfs/dbraw/zinc/11/87/22/268118722.db2.gz CUVSGGXVTRIXMR-HNNXBMFYSA-N 2 0 307.507 2.697 20 0 DFADRP C[C@H](CC[NH+](C)C)[NH2+][C@H]1CCC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000222986655 268141355 /nfs/dbraw/zinc/14/13/55/268141355.db2.gz RTLFSPLVAGXDDX-QLFBSQMISA-N 2 0 313.486 2.752 20 0 DFADRP CC(C)[N@H+](C)Cc1ccccc1CNC(=O)C1(C[NH3+])CCCC1 ZINC000236654119 268148232 /nfs/dbraw/zinc/14/82/32/268148232.db2.gz STHJHLWRTKOWHT-UHFFFAOYSA-N 2 0 317.477 2.662 20 0 DFADRP C[NH+](C)Cc1cccc(NC(=O)[C@H]2CCCCCC[C@@H]2[NH3+])c1 ZINC000237060541 268153691 /nfs/dbraw/zinc/15/36/91/268153691.db2.gz FQIKOSSGGUSLQO-IRXDYDNUSA-N 2 0 303.450 2.984 20 0 DFADRP [NH3+][C@@H]1CCCCCC[C@@H]1C(=O)NC1CC[NH+](C2CCCC2)CC1 ZINC000237859315 268160581 /nfs/dbraw/zinc/16/05/81/268160581.db2.gz LHUYIXRWXWZUTG-ZWKOTPCHSA-N 2 0 321.509 2.807 20 0 DFADRP CC(C)[NH+]1CCN(C2CC[NH+](Cc3cccc(F)c3)CC2)CC1 ZINC000270875916 268229558 /nfs/dbraw/zinc/22/95/58/268229558.db2.gz JSLQURCLQDUBAB-UHFFFAOYSA-N 2 0 319.468 2.816 20 0 DFADRP C[C@H]1C[C@H]([NH2+]CCc2nc(-c3ccncc3)cs2)CC[N@@H+]1C ZINC000271520298 268249631 /nfs/dbraw/zinc/24/96/31/268249631.db2.gz QDGHUNVNTCRRRE-DZGCQCFKSA-N 2 0 316.474 2.820 20 0 DFADRP C[N@@H+]1CCN(CC[NH2+]C2CC(c3cccc(F)c3)C2)CC1(C)C ZINC000282432024 268271892 /nfs/dbraw/zinc/27/18/92/268271892.db2.gz TYNHEMAXJMGTST-UHFFFAOYSA-N 2 0 319.468 2.687 20 0 DFADRP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)NCc1cccc(C[NH+](CC)CC)c1 ZINC000289935401 268281440 /nfs/dbraw/zinc/28/14/40/268281440.db2.gz LDTHCQBPJFDFSX-ROUUACIJSA-N 2 0 317.477 2.533 20 0 DFADRP CC[C@H](C)NC(=O)[C@H](C)[NH+]1CCC(C[NH+]2CCCCCC2)CC1 ZINC000048564638 425875925 /nfs/dbraw/zinc/87/59/25/425875925.db2.gz UEZLREPFCUINGO-IRXDYDNUSA-N 2 0 323.525 2.878 20 0 DFADRP C[C@@H](C[NH2+]C1CCC(NC(=O)OC(C)(C)C)CC1)C[NH+](C)C ZINC000309748021 268336048 /nfs/dbraw/zinc/33/60/48/268336048.db2.gz YJJVCYIFWOIBDP-NFOMZHRRSA-N 2 0 313.486 2.610 20 0 DFADRP C[C@H](C[NH2+]CC(C)(C)NC(=O)OC(C)(C)C)C[NH+]1CCCC1 ZINC000309854210 268336088 /nfs/dbraw/zinc/33/60/88/268336088.db2.gz KMWUBVSRFKPTDY-CQSZACIVSA-N 2 0 313.486 2.611 20 0 DFADRP C[C@@H](CCCNC(=O)OC(C)(C)C)[NH2+]CC1CC[NH+](C)CC1 ZINC000310001994 268336559 /nfs/dbraw/zinc/33/65/59/268336559.db2.gz FLTMZPWOJAXNHU-AWEZNQCLSA-N 2 0 313.486 2.611 20 0 DFADRP CC[C@H]([NH2+]CCc1cn(C)cn1)c1ccc(OC)c(OC)c1 ZINC000313293380 268339514 /nfs/dbraw/zinc/33/95/14/268339514.db2.gz ISXXSOLPOBUYHD-HNNXBMFYSA-N 2 0 303.406 2.721 20 0 DFADRP Cc1nn2c(CN3CC[C@@H](C)[C@@H](C[NH3+])C3)c(C(C)C)nc2s1 ZINC000333112629 268375363 /nfs/dbraw/zinc/37/53/63/268375363.db2.gz GTSTZWDIUBWJGQ-YPMHNXCESA-N 2 0 321.494 2.639 20 0 DFADRP CCCCNC(=O)[C@H](C)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000103229507 425938665 /nfs/dbraw/zinc/93/86/65/425938665.db2.gz CGZGDBCKKFKCLC-ZWKOTPCHSA-N 2 0 323.525 2.879 20 0 DFADRP C[C@H](c1ccc(Cl)c(Cl)c1)[N@H+](C)CCN1CC[NH2+]CC1 ZINC000071148912 425982579 /nfs/dbraw/zinc/98/25/79/425982579.db2.gz OEZLEVRGEIUAGX-GFCCVEGCSA-N 2 0 316.276 2.891 20 0 DFADRP CC[NH+]1CCN([C@H]2CC[N@H+](Cc3ccccc3Cl)C2)CC1 ZINC000107371822 425990324 /nfs/dbraw/zinc/99/03/24/425990324.db2.gz UOGLSMIVMRYJOH-INIZCTEOSA-N 2 0 307.869 2.552 20 0 DFADRP CC(C)C[N@@H+]1Cc2cccc(NC(=O)C[NH+](C)C(C)C)c2C1 ZINC000158276473 425941478 /nfs/dbraw/zinc/94/14/78/425941478.db2.gz PSNXUWOZYNGEFO-UHFFFAOYSA-N 2 0 303.450 2.937 20 0 DFADRP CC[C@H](C(=O)Nc1ccc(CC[NH+]2CCCC2)cc1)[NH+](C)C ZINC000124945379 425946277 /nfs/dbraw/zinc/94/62/77/425946277.db2.gz GKPNLGBPAZGLID-QGZVFWFLSA-N 2 0 303.450 2.604 20 0 DFADRP CN(c1nc(CN2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)cs1)C1CC1 ZINC000158754342 425947492 /nfs/dbraw/zinc/94/74/92/425947492.db2.gz CXAKIKUUZKKCOI-BBRMVZONSA-N 2 0 320.506 2.658 20 0 DFADRP CC(C)N(C)C(=O)C[NH+]1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000159020230 425952487 /nfs/dbraw/zinc/95/24/87/425952487.db2.gz PDDMAPTVYPURGV-KRWDZBQOSA-N 2 0 323.525 2.830 20 0 DFADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1[NH2+]CCCOCCc1ccccc1 ZINC000125306435 425964578 /nfs/dbraw/zinc/96/45/78/425964578.db2.gz UKFZDGOKTFZOEC-AOIWGVFYSA-N 2 0 304.478 2.954 20 0 DFADRP CC(C)Oc1ccc([C@@H](O)C[NH2+][C@H]2CC[N@H+](C)[C@@H](C)C2)cc1 ZINC000125366666 425968694 /nfs/dbraw/zinc/96/86/94/425968694.db2.gz FATWSBOYLLBNSH-ZVZYQTTQSA-N 2 0 306.450 2.580 20 0 DFADRP c1csc(C[NH+]2CCC(C[NH2+]CC3=CCCOC3)CC2)c1 ZINC000126886399 426040646 /nfs/dbraw/zinc/04/06/46/426040646.db2.gz QJHCYADTDYPKEN-UHFFFAOYSA-N 2 0 306.475 2.896 20 0 DFADRP NC(=O)[C@H]([NH2+]CCCCC[NH+]1CCCCC1)c1ccc(F)cc1 ZINC000111374842 426047709 /nfs/dbraw/zinc/04/77/09/426047709.db2.gz FFPRLAPRHWQGFM-QGZVFWFLSA-N 2 0 321.440 2.598 20 0 DFADRP CC[N@@H+]1CCCC[C@H]1CNC(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000111420883 426050515 /nfs/dbraw/zinc/05/05/15/426050515.db2.gz UUGZRJBFTKRDPZ-KRWDZBQOSA-N 2 0 318.465 2.744 20 0 DFADRP CN(CCC[NH+]1CCCC1)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000162102502 426051818 /nfs/dbraw/zinc/05/18/18/426051818.db2.gz XCXBYMBNYUFCCX-HXUWFJFHSA-N 3 0 315.505 2.926 20 0 DFADRP C[C@@H]([NH2+]C[C@H](C)N1CC[NH+](C)CC1)C(C)(C)c1ccccc1 ZINC000127345811 426062759 /nfs/dbraw/zinc/06/27/59/426062759.db2.gz PFCGKSMPXRMNBU-DLBZAZTESA-N 2 0 303.494 2.578 20 0 DFADRP C[C@H](C[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1)CN(C)C(=O)OC(C)(C)C ZINC000162489837 426065971 /nfs/dbraw/zinc/06/59/71/426065971.db2.gz RMJGOMTYKBOTJP-RBSFLKMASA-N 2 0 313.486 2.562 20 0 DFADRP Cc1ccc(C[C@H]([NH2+]CCCN2CC[NH+](C)CC2)C(C)C)cc1 ZINC000162575190 426069867 /nfs/dbraw/zinc/06/98/67/426069867.db2.gz CENZHZBKYTWVSJ-FQEVSTJZSA-N 2 0 317.521 2.789 20 0 DFADRP CCc1ccc([C@@H](CC)[NH2+]C[C@H](C)N2CC[NH+](C)CC2)cc1 ZINC000127524898 426070456 /nfs/dbraw/zinc/07/04/56/426070456.db2.gz HBJFCARMPYEKNY-QFBILLFUSA-N 2 0 303.494 2.926 20 0 DFADRP CCC[N@H+](C)C[C@@H]1CCN(C(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC000075334740 426070732 /nfs/dbraw/zinc/07/07/32/426070732.db2.gz FLXQGLINPZIEMJ-KRWDZBQOSA-N 2 0 317.477 2.552 20 0 DFADRP C[C@H]([NH2+]CC1CC[NH+](C)CC1)c1cccc(N2CCOC2=O)c1 ZINC000126274137 426013512 /nfs/dbraw/zinc/01/35/12/426013512.db2.gz RYBOTJQGXMMWJJ-AWEZNQCLSA-N 2 0 317.433 2.636 20 0 DFADRP CCC[NH+]1CCC(N[C@@H](C)C[N@H+](C)Cc2ccccc2)CC1 ZINC000126326572 426015694 /nfs/dbraw/zinc/01/56/94/426015694.db2.gz FTEAMVZNFOZNKV-KRWDZBQOSA-N 2 0 303.494 2.971 20 0 DFADRP FC(F)(F)c1c[nH]c(C2CC[NH+](CCn3ccnc3)CC2)n1 ZINC000163138694 426091156 /nfs/dbraw/zinc/09/11/56/426091156.db2.gz KYIDDIXRVUCUCL-UHFFFAOYSA-N 2 0 313.327 2.505 20 0 DFADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+]C[C@H](C)c2ccc(F)cc2)CC1 ZINC000127873192 426091489 /nfs/dbraw/zinc/09/14/89/426091489.db2.gz ILFRLTRMXUXMQQ-IRXDYDNUSA-N 2 0 321.484 2.792 20 0 DFADRP CC[C@@H]([NH2+]CC1CC[NH+](CC(=O)NC(C)(C)C)CC1)C(C)C ZINC000163528682 426102885 /nfs/dbraw/zinc/10/28/85/426102885.db2.gz OZDUKNVOLDNQIE-MRXNPFEDSA-N 2 0 311.514 2.637 20 0 DFADRP c1ccc(NC[C@H]2CCN(Cc3nc4ccccc4[nH]3)C2)nc1 ZINC000128257945 426108782 /nfs/dbraw/zinc/10/87/82/426108782.db2.gz CZBGGKGBPZMGAD-CQSZACIVSA-N 2 0 307.401 2.892 20 0 DFADRP C[C@H]([NH2+][C@@H](C)c1ccc(OCC[NH+](C)C)cc1)c1cnn(C)c1 ZINC000163830740 426109765 /nfs/dbraw/zinc/10/97/65/426109765.db2.gz JIRWXQQJIQEBMX-GJZGRUSLSA-N 2 0 316.449 2.772 20 0 DFADRP CC[C@@H](C)[NH2+]CCCC[NH+]1CCN(Cc2ccccc2)CC1 ZINC000163933636 426110183 /nfs/dbraw/zinc/11/01/83/426110183.db2.gz DLBIXDOUMKNGKQ-GOSISDBHSA-N 2 0 303.494 2.973 20 0 DFADRP C[C@H]1Cc2ccccc2[C@@H]1[NH2+]CCCN1CCC[N@H+](C)CC1 ZINC000128343900 426113165 /nfs/dbraw/zinc/11/31/65/426113165.db2.gz ZADWXJSPWVYYHW-QFBILLFUSA-N 2 0 301.478 2.537 20 0 DFADRP CC1CC[NH+](Cc2ccc(NC(=O)[C@@H]3CCCC[NH2+]3)cc2)CC1 ZINC000164560826 426115004 /nfs/dbraw/zinc/11/50/04/426115004.db2.gz WBBLBAHYLLNWPD-SFHVURJKSA-N 2 0 315.461 2.999 20 0 DFADRP CC1CC[NH+](Cc2ccc(NC(=O)[C@H]3CC[C@H]([NH3+])C3)cc2)CC1 ZINC000164558889 426116209 /nfs/dbraw/zinc/11/62/09/426116209.db2.gz URYKRWHKKYHBJE-IRXDYDNUSA-N 2 0 315.461 2.984 20 0 DFADRP Cc1ccc([C@@H](C)[NH2+]CCCN2CCC[N@H+](C)CC2)c(C)c1 ZINC000128498300 426120624 /nfs/dbraw/zinc/12/06/24/426120624.db2.gz DOQJAPVHZNBIEL-GOSISDBHSA-N 2 0 303.494 2.982 20 0 DFADRP CC(C)[NH2+]CCC(=O)NC[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000165895795 426124565 /nfs/dbraw/zinc/12/45/65/426124565.db2.gz UCXMMVMGINYUCP-SFHVURJKSA-N 2 0 317.477 2.545 20 0 DFADRP CCO[C@@H](CC[NH+](C)C)C[NH2+][C@@H](C)c1ccc(OC)c(F)c1 ZINC000165968110 426124681 /nfs/dbraw/zinc/12/46/81/426124681.db2.gz KEVYACBVXFBXDU-ZFWWWQNUSA-N 2 0 312.429 2.842 20 0 DFADRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@@H](C)c1ccc(F)c(F)c1 ZINC000166056891 426125674 /nfs/dbraw/zinc/12/56/74/426125674.db2.gz HMEXEPINKGMRRU-GXTWGEPZSA-N 2 0 300.393 2.972 20 0 DFADRP CC[NH+]1CCN(CCC[NH2+][C@@H]2CCCc3ccc(C)cc32)CC1 ZINC000166145543 426125821 /nfs/dbraw/zinc/12/58/21/426125821.db2.gz JJCJBXZNLSXWEG-HXUWFJFHSA-N 2 0 315.505 2.990 20 0 DFADRP C[NH+](C)CCc1ccc(NC(=O)CC2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000166742373 426129169 /nfs/dbraw/zinc/12/91/69/426129169.db2.gz JSYXWLYXKXUVIE-ZNXRZULTSA-N 2 0 315.461 2.650 20 0 DFADRP C[C@H](CCc1ccc(F)cc1)[NH2+]CCCN1CCC[N@H+](C)CC1 ZINC000128679206 426129300 /nfs/dbraw/zinc/12/93/00/426129300.db2.gz VWGFWUZQAJIMJB-QGZVFWFLSA-N 2 0 321.484 2.764 20 0 DFADRP C[C@H]1Cc2ccc(F)cc2[C@H]1[NH2+]CCCN1CCC[N@H+](C)CC1 ZINC000128720546 426130378 /nfs/dbraw/zinc/13/03/78/426130378.db2.gz ATSNCFSQZYBDEL-KXBFYZLASA-N 2 0 319.468 2.676 20 0 DFADRP CC(C)C[C@H]([NH3+])C(=O)NCC(C)(C)[NH2+][C@H](C)c1ccccc1 ZINC000167617955 426133587 /nfs/dbraw/zinc/13/35/87/426133587.db2.gz WVZBEXQSCXCSCE-ZBFHGGJFSA-N 2 0 305.466 2.605 20 0 DFADRP C[N@@H+]1CCC[C@@H]2C[NH+](CCC(=O)Nc3cccc(F)c3)CC[C@@H]21 ZINC000162795610 426077526 /nfs/dbraw/zinc/07/75/26/426077526.db2.gz RRVAVARMMSPTAP-PBHICJAKSA-N 2 0 319.424 2.570 20 0 DFADRP CC(C)OC(=O)c1ccc(CN2CC[C@@H](C[NH+](C)C)C2)cc1 ZINC000135079047 426205028 /nfs/dbraw/zinc/20/50/28/426205028.db2.gz SVDQFAVIIZCJKL-INIZCTEOSA-N 2 0 304.434 2.635 20 0 DFADRP C[NH+](C)CCCOc1ccc(CNC(=[NH2+])NC2CCCC2)cc1 ZINC000170914990 426158916 /nfs/dbraw/zinc/15/89/16/426158916.db2.gz BXVKPDSWXINKOX-UHFFFAOYSA-N 2 0 318.465 2.574 20 0 DFADRP Cc1cc(NCc2cncn2C)ccc1OCC[NH+]1CCCC1 ZINC000130496630 426161677 /nfs/dbraw/zinc/16/16/77/426161677.db2.gz QVIOZWWRIXGPNH-UHFFFAOYSA-N 2 0 314.433 2.815 20 0 DFADRP C[C@H]([NH2+]CCc1cccnc1)c1cccc(OCC[NH+](C)C)c1 ZINC000133482074 426179029 /nfs/dbraw/zinc/17/90/29/426179029.db2.gz JSNROONMVUKKAD-INIZCTEOSA-N 2 0 313.445 2.915 20 0 DFADRP CCc1noc(C)c1CN1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000134895605 426197897 /nfs/dbraw/zinc/19/78/97/426197897.db2.gz WLADVDOYJDAQLB-RDTXWAMCSA-N 2 0 303.450 2.994 20 0 DFADRP COc1c(C)cnc(C[N@@H+]2CC[C@H](C)[C@H](n3ccnc3)C2)c1C ZINC000136083318 426235133 /nfs/dbraw/zinc/23/51/33/426235133.db2.gz DZZCGLXFNMHKNJ-SUMWQHHRSA-N 2 0 314.433 2.987 20 0 DFADRP CC(C)[N@@H+]1[C@@H]2CC[C@H]1CN(C(=O)C1CC[NH+](C(C)C)CC1)CC2 ZINC000173500880 426242069 /nfs/dbraw/zinc/24/20/69/426242069.db2.gz ABUVFRWPICRRSM-MSOLQXFVSA-N 2 0 321.509 2.581 20 0 DFADRP COc1ccc(OCCC[N@H+](C)C[C@H]2CCC[NH+](C)C2)cc1 ZINC000118841505 426248709 /nfs/dbraw/zinc/24/87/09/426248709.db2.gz WMLWADQUONLZAV-INIZCTEOSA-N 2 0 306.450 2.738 20 0 DFADRP CC(C)[C@H](C(=O)N[C@H](C)C(C)(C)C[NH+](C)C)[NH+]1CCCCC1 ZINC000085290348 426250147 /nfs/dbraw/zinc/25/01/47/426250147.db2.gz WNOIJCZERORYKP-HZPDHXFCSA-N 2 0 311.514 2.589 20 0 DFADRP C(C[NH2+]C1CC[NH+](C2CCCCC2)CC1)CO[C@@H]1CCOC1 ZINC000119027786 426256433 /nfs/dbraw/zinc/25/64/33/426256433.db2.gz MJZNXCSPFLFOLB-GOSISDBHSA-N 2 0 310.482 2.569 20 0 DFADRP C[C@@H](C(=O)N1CCC[C@@H]([NH+]2CCCC2)CC1)[NH+]1CCCCCC1 ZINC000150744468 426260937 /nfs/dbraw/zinc/26/09/37/426260937.db2.gz FIGDSVLJJFHILL-ZWKOTPCHSA-N 2 0 321.509 2.728 20 0 DFADRP C[C@@H](NC[C@H](O)C[NH+]1CCCCC1)c1cc2c(s1)CCC2 ZINC000151298359 426288209 /nfs/dbraw/zinc/28/82/09/426288209.db2.gz VEGUCQZXDJBKQF-HIFRSBDPSA-N 2 0 308.491 2.734 20 0 DFADRP CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc(C[NH+](C)C)cc1 ZINC000119439170 426288781 /nfs/dbraw/zinc/28/87/81/426288781.db2.gz RCZXYQHPGJHMHH-GOSISDBHSA-N 2 0 317.477 2.598 20 0 DFADRP C[C@H](C(=O)NCc1cccc(C[NH+](C)C)c1)[NH+]1CCCCCC1 ZINC000175216452 426288799 /nfs/dbraw/zinc/28/87/99/426288799.db2.gz VTUCUGLRRKEDIT-MRXNPFEDSA-N 2 0 317.477 2.629 20 0 DFADRP CSC(C)(C)CNc1ncnc2c1cnn2-c1ccncc1 ZINC000119528484 426294247 /nfs/dbraw/zinc/29/42/47/426294247.db2.gz XDEZHAUUKKSEMN-UHFFFAOYSA-N 2 0 314.418 2.764 20 0 DFADRP [NH3+][C@@H](CC(=O)N1CCC[C@H]1C[NH+]1CCCCC1)c1ccccc1 ZINC000119544444 426295544 /nfs/dbraw/zinc/29/55/44/426295544.db2.gz UDUFXGAKWDJMLP-ROUUACIJSA-N 2 0 315.461 2.553 20 0 DFADRP CCOc1ccc(C[NH+]2CCC(OCCC[NH3+])CC2)cc1F ZINC000339407410 268809736 /nfs/dbraw/zinc/80/97/36/268809736.db2.gz KWCXKXNISDLSRQ-UHFFFAOYSA-N 2 0 310.413 2.554 20 0 DFADRP CC[N@@H+]1CC[C@H]([NH2+]CCCCNC(=O)OC(C)(C)C)[C@H](C)C1 ZINC000119669470 426300802 /nfs/dbraw/zinc/30/08/02/426300802.db2.gz BWUFWDUUQMWKBK-CABCVRRESA-N 2 0 313.486 2.611 20 0 DFADRP CC(C)[NH+]1CCC([NH2+]CCCN(C)C(=O)OC(C)(C)C)CC1 ZINC000120289167 426308239 /nfs/dbraw/zinc/30/82/39/426308239.db2.gz PNPBWUOSBHUQCU-UHFFFAOYSA-N 2 0 313.486 2.706 20 0 DFADRP Cc1ccc2c(c1)OCCC[C@H]2[NH2+]CC1CC[NH+](CCO)CC1 ZINC000151808477 426312975 /nfs/dbraw/zinc/31/29/75/426312975.db2.gz NWBJZJQUAFKHDV-GOSISDBHSA-N 2 0 318.461 2.503 20 0 DFADRP C[C@@H]1CC[C@@H]([NH2+]CC2CC[NH+](CCO)CC2)c2ccccc21 ZINC000151856220 426316254 /nfs/dbraw/zinc/31/62/54/426316254.db2.gz BXWPBXHEGLZPCJ-DNVCBOLYSA-N 2 0 302.462 2.919 20 0 DFADRP COc1cccc([C@H](C)[N@H+](C)CC2CC[NH+](C[C@H](C)O)CC2)c1 ZINC000175648097 426319356 /nfs/dbraw/zinc/31/93/56/426319356.db2.gz WPLDZAHKFZKMHL-HOTGVXAUSA-N 2 0 320.477 2.781 20 0 DFADRP C[NH+](C)CCC[NH2+]C1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000151935910 426320049 /nfs/dbraw/zinc/32/00/49/426320049.db2.gz KVNIJTGRVHDAJF-UHFFFAOYSA-N 2 0 309.885 2.846 20 0 DFADRP C[C@H]([NH2+]Cc1cccc(C(N)=O)c1)c1ccc(-n2ccnc2)cc1 ZINC000121226777 426325807 /nfs/dbraw/zinc/32/58/07/426325807.db2.gz PYDATCNINPASRE-AWEZNQCLSA-N 2 0 320.396 2.822 20 0 DFADRP COc1cc([C@@H](C)[NH2+]C[C@H]2CCC[N@H+](C)C2)cc(OC)c1OC ZINC000121215176 426326272 /nfs/dbraw/zinc/32/62/72/426326272.db2.gz BGCLXYIUVUFBNK-ZIAGYGMSSA-N 2 0 322.449 2.705 20 0 DFADRP C[C@@H](CCc1ccc2c(c1)OCO2)[NH2+]C[C@@H]1CCC[N@H+](C)C1 ZINC000121225585 426326616 /nfs/dbraw/zinc/32/66/16/426326616.db2.gz WFEMVBUJNIRZNP-HOCLYGCPSA-N 2 0 304.434 2.668 20 0 DFADRP CCN(CC)C(=O)C[C@@H](C)[NH2+]C[C@@H]1CCC[N@H+](CC(C)C)C1 ZINC000090585187 426329259 /nfs/dbraw/zinc/32/92/59/426329259.db2.gz NVRRXPYLBQOPSF-SJORKVTESA-N 2 0 311.514 2.591 20 0 DFADRP COC[C@@H]([NH2+][C@@H](C)c1cccc(OCC[NH+](C)C)c1)C1CC1 ZINC000090717390 426331364 /nfs/dbraw/zinc/33/13/64/426331364.db2.gz MEMXKUMRWSVJPH-KBXCAEBGSA-N 2 0 306.450 2.703 20 0 DFADRP CN(C/C=C/CN(C)Cc1nccs1)Cc1nccs1 ZINC000175076933 426278296 /nfs/dbraw/zinc/27/82/96/426278296.db2.gz JFAOBXLBTHIHRV-ONEGZZNKSA-N 2 0 308.476 2.720 20 0 DFADRP C[C@H]([NH2+]CCCn1ccnc1)c1ccc(OCC[NH+](C)C)cc1 ZINC000151109880 426278320 /nfs/dbraw/zinc/27/83/20/426278320.db2.gz WMHQUSHUIISVAG-INIZCTEOSA-N 2 0 316.449 2.564 20 0 DFADRP CCC[N@@H+]1CC[C@H](C[NH2+][C@@H](C)c2ccc3c(c2)OCCO3)C1 ZINC000151119394 426278780 /nfs/dbraw/zinc/27/87/80/426278780.db2.gz XYJUZHAIFYSHKT-LSDHHAIUSA-N 2 0 304.434 2.840 20 0 DFADRP CCC[N@@H+]1CC[C@@H](C[NH2+][C@@H](C)c2ccc(-n3cncn3)cc2)C1 ZINC000151140125 426281129 /nfs/dbraw/zinc/28/11/29/426281129.db2.gz XXEUJFPPZGLXAC-HOTGVXAUSA-N 2 0 313.449 2.650 20 0 DFADRP CC[N@@H+]1CC[C@H]([NH2+]CC2CCN(c3cc[nH+]cc3)CC2)[C@H](C)C1 ZINC000089215575 426283041 /nfs/dbraw/zinc/28/30/41/426283041.db2.gz CXQYCXXTEUXKST-APWZRJJASA-N 3 0 316.493 2.618 20 0 DFADRP C[NH+]1CCN(CCC[NH2+][C@H]2C[C@H](c3ccccc3)C2(C)C)CC1 ZINC000122808021 426395813 /nfs/dbraw/zinc/39/58/13/426395813.db2.gz HYXSKOZYVLTGJB-MOPGFXCFSA-N 2 0 315.505 2.796 20 0 DFADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]Cc1ccc(-n2ccnc2)c(F)c1 ZINC000153652324 426397782 /nfs/dbraw/zinc/39/77/82/426397782.db2.gz WHQOIFBNODZXPS-CPUCHLNUSA-N 2 0 316.424 2.830 20 0 DFADRP C[C@H](c1ccccc1Cl)[N@H+](C)CCCN1CC[NH+](C)CC1 ZINC000122855999 426399137 /nfs/dbraw/zinc/39/91/37/426399137.db2.gz NJDQUUKENZBQPY-OAHLLOKOSA-N 2 0 309.885 2.970 20 0 DFADRP CC[C@@H]1C[N@H+](CCC(=O)Nc2cccc(Cl)c2)CC[C@@H]1[NH3+] ZINC000122902400 426401722 /nfs/dbraw/zinc/40/17/22/426401722.db2.gz WKBNPGFBEJZMNT-DOMZBBRYSA-N 2 0 309.841 2.728 20 0 DFADRP C[C@H]([NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1)c1ccc([S@](C)=O)cc1 ZINC000152447427 426343328 /nfs/dbraw/zinc/34/33/28/426343328.db2.gz RKNVNTYAVAQOKA-DGCWBMGLSA-N 2 0 306.475 2.559 20 0 DFADRP CC(C)(C)n1cc(C[NH+]2CCC(C[NH+]3CCCC3)CC2)cn1 ZINC000152693338 426349691 /nfs/dbraw/zinc/34/96/91/426349691.db2.gz XFEUDOHLAKYFFH-UHFFFAOYSA-N 2 0 304.482 2.946 20 0 DFADRP CC(=O)Nc1ccccc1C[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000152688897 426350129 /nfs/dbraw/zinc/35/01/29/426350129.db2.gz VKRVFEWMNGXDBV-UHFFFAOYSA-N 2 0 315.461 2.953 20 0 DFADRP C[C@@H]1C[N@@H+](CCC2CC[NH+](Cc3ccco3)CC2)C[C@H](C)O1 ZINC000093844166 426358795 /nfs/dbraw/zinc/35/87/95/426358795.db2.gz YNJQTGVCCWUYDE-IYBDPMFKSA-N 2 0 306.450 2.991 20 0 DFADRP CC(C)N1CC[C@@H]([NH+]2CCC(CCC[NH+]3CCCC3)CC2)C1=O ZINC000122158506 426361396 /nfs/dbraw/zinc/36/13/96/426361396.db2.gz HCBSQSNMKCPUSC-GOSISDBHSA-N 2 0 321.509 2.584 20 0 DFADRP C[C@@H]([NH3+])[C@H]1CCCCN1C(=O)c1cccc(C[NH+]2CCCC2)c1 ZINC000122160099 426362331 /nfs/dbraw/zinc/36/23/31/426362331.db2.gz OANSUNDQWSSHDC-CRAIPNDOSA-N 2 0 315.461 2.624 20 0 DFADRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H](C)C2CCOCC2)[C@H](C)C1 ZINC000122350633 426371541 /nfs/dbraw/zinc/37/15/41/426371541.db2.gz CDQCPFAYHCQYSO-RYRKJORJSA-N 2 0 312.498 2.528 20 0 DFADRP CCC[N@H+](C)C[C@H]1CCN(C(=O)Nc2ccc(C)nc2C)C1 ZINC000176715462 426406415 /nfs/dbraw/zinc/40/64/15/426406415.db2.gz ANYPRNJDHWVVGX-OAHLLOKOSA-N 2 0 304.438 2.894 20 0 DFADRP CCC[NH+]1CCC([NH2+][C@@H](C)c2ccc(NC(N)=O)cc2)CC1 ZINC000123018285 426408797 /nfs/dbraw/zinc/40/87/97/426408797.db2.gz WLICBJHOLIPOQA-ZDUSSCGKSA-N 2 0 304.438 2.702 20 0 DFADRP O=[N+]([O-])c1ccc(CC[NH2+]C2CC[NH+](CC3CC3)CC2)cc1 ZINC000123158161 426417861 /nfs/dbraw/zinc/41/78/61/426417861.db2.gz ZEYNOVOGDXAAAS-UHFFFAOYSA-N 2 0 303.406 2.601 20 0 DFADRP CC[NH+]1CCN(CCC[NH2+][C@H](C)C(C)(C)c2ccccc2)CC1 ZINC000154225712 426431344 /nfs/dbraw/zinc/43/13/44/426431344.db2.gz YVCIJRXPALKBAB-GOSISDBHSA-N 2 0 317.521 2.970 20 0 DFADRP CC(C)CCn1cccc1C[NH2+]CCN1CCC([NH+](C)C)CC1 ZINC000176989303 426431424 /nfs/dbraw/zinc/43/14/24/426431424.db2.gz BWOSEFPAGSRTQV-UHFFFAOYSA-N 2 0 320.525 2.650 20 0 DFADRP CC[NH+]1CCN(CCC[NH2+][C@H](C)c2cccc(C)c2C)CC1 ZINC000154239297 426431892 /nfs/dbraw/zinc/43/18/92/426431892.db2.gz KEJVCFRYDNPCHX-GOSISDBHSA-N 2 0 303.494 2.982 20 0 DFADRP CC[NH+]1CCN(CCC[NH2+][C@H](C)c2cc(C)ccc2OC)CC1 ZINC000154266030 426433965 /nfs/dbraw/zinc/43/39/65/426433965.db2.gz QZWUQYUPSYPQBZ-QGZVFWFLSA-N 2 0 319.493 2.682 20 0 DFADRP Cc1ccc(C)c(NC(=O)CN(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)c1 ZINC000123464649 426436091 /nfs/dbraw/zinc/43/60/91/426436091.db2.gz RURBGSOABVRXGZ-HZPDHXFCSA-N 2 0 303.450 2.656 20 0 DFADRP CC(C)[C@H](C(=O)N1CCC[C@H]([NH+]2CCCC2)C1)[NH+]1CCCCC1 ZINC000341000024 269035788 /nfs/dbraw/zinc/03/57/88/269035788.db2.gz HIABYDDTUOPNIC-ZWKOTPCHSA-N 2 0 321.509 2.584 20 0 DFADRP C[N@H+](Cc1ccccc1)CC(C)(C)C[NH+]1CCC[C@H](CO)C1 ZINC000154614664 426448192 /nfs/dbraw/zinc/44/81/92/426448192.db2.gz WXRMERKOWGFSNR-SFHVURJKSA-N 2 0 304.478 2.849 20 0 DFADRP CC[NH+]1CCN(Cc2ccc(C[NH2+][C@H](C)C3CC3)cc2)CC1 ZINC000177223695 426456774 /nfs/dbraw/zinc/45/67/74/426456774.db2.gz WMLHGFYDJKWDHM-MRXNPFEDSA-N 2 0 301.478 2.712 20 0 DFADRP COc1cccc([C@H](C[NH2+][C@@H](C)[C@@H]2CCOC2)N2CCCC2)c1 ZINC000154835644 426457180 /nfs/dbraw/zinc/45/71/80/426457180.db2.gz ASFXCLPZVJAFKQ-WDYCEAGBSA-N 2 0 318.461 2.847 20 0 DFADRP C[C@@H](C[NH2+][C@@H](C)c1ccccc1Cl)CN1CC[NH+](C)CC1 ZINC000177294108 426463747 /nfs/dbraw/zinc/46/37/47/426463747.db2.gz OUWHQISJWYANMP-GJZGRUSLSA-N 2 0 309.885 2.874 20 0 DFADRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)NC1CC[NH+](C2CCCC2)CC1 ZINC000177431477 426478327 /nfs/dbraw/zinc/47/83/27/426478327.db2.gz YKQZMZRIUVNITA-GOSISDBHSA-N 2 0 321.509 2.773 20 0 DFADRP COCc1cc([C@H](C)[NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)ccc1OC ZINC000124343230 426480842 /nfs/dbraw/zinc/48/08/42/426480842.db2.gz UYTVEZDIWKAMJZ-GJZGRUSLSA-N 2 0 318.461 2.977 20 0 DFADRP C[NH+](C)[C@@H]1CCC[C@H](NC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC000177462478 426481017 /nfs/dbraw/zinc/48/10/17/426481017.db2.gz YDZVERHYMSJHFF-SOLBZPMBSA-N 2 0 321.509 2.630 20 0 DFADRP C[C@@H](C[C@H]1CCCN1C(=O)OC(C)(C)C)[NH2+]CCC[NH+](C)C ZINC000177482084 426482686 /nfs/dbraw/zinc/48/26/86/426482686.db2.gz MFFKWTOMBMPKEE-LSDHHAIUSA-N 2 0 313.486 2.706 20 0 DFADRP C[C@@H](C(=O)NC[C@@H](c1ccccc1)[NH+](C)C)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000101626964 426485334 /nfs/dbraw/zinc/48/53/34/426485334.db2.gz YODAJMXZMTXYQS-DFGXFYAUSA-N 2 0 317.477 2.667 20 0 DFADRP CC[NH+](CC)CCC[C@H](C)NC(=O)c1ccc(C[NH+](C)C)cc1 ZINC000101650328 426485513 /nfs/dbraw/zinc/48/55/13/426485513.db2.gz FYRHEWGNXQEUKZ-INIZCTEOSA-N 2 0 319.493 2.989 20 0 DFADRP CC[C@@H](C)[N@H+](C)CCNC(=O)c1ccc(C[NH+]2CCCC2)cc1 ZINC000264164930 426509494 /nfs/dbraw/zinc/50/94/94/426509494.db2.gz IYQVZYWSCKARFV-MRXNPFEDSA-N 2 0 317.477 2.743 20 0 DFADRP C[C@H]([NH2+][C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1cnn(C)c1 ZINC000272392646 426515018 /nfs/dbraw/zinc/51/50/18/426515018.db2.gz YCOUZKAIWSPOPQ-XYJFISCASA-N 2 0 312.461 2.981 20 0 DFADRP C[C@H]1C[C@H]([NH2+]CCc2cn(C)c3cc(F)ccc23)CC[N@@H+]1C ZINC000186413356 426522178 /nfs/dbraw/zinc/52/21/78/426522178.db2.gz CAKBCCGWOXGRBP-XJKSGUPXSA-N 2 0 303.425 2.932 20 0 DFADRP Cc1ccc2c(c1)[C@@H]([NH2+][C@@H](C)CCN1CC[NH+](C)CC1)CC2 ZINC000186576415 426554876 /nfs/dbraw/zinc/55/48/76/426554876.db2.gz URNNARNLFDFMBC-LPHOPBHVSA-N 2 0 301.478 2.598 20 0 DFADRP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)[C@@H](C)c2ccccc2F)CC1 ZINC000264309062 426531569 /nfs/dbraw/zinc/53/15/69/426531569.db2.gz ZJDQJWVGWJQQFK-CABCVRRESA-N 2 0 308.441 2.911 20 0 DFADRP C[C@@H](CCc1ccccc1F)[NH2+][C@@H](C)CCN1CC[NH+](C)CC1 ZINC000186574755 426554942 /nfs/dbraw/zinc/55/49/42/426554942.db2.gz JPIJGSRYIHPNOQ-IRXDYDNUSA-N 2 0 321.484 2.762 20 0 DFADRP C[C@H]1[NH2+]CCC[C@H]1C(=O)Nc1ccc(CC[NH+]2CCCC2)cc1 ZINC000288840832 426540437 /nfs/dbraw/zinc/54/04/37/426540437.db2.gz WACRTDHVXYCALV-CRAIPNDOSA-N 2 0 315.461 2.652 20 0 DFADRP C[C@@H]1C[NH+](CCC2CC[NH+](C[C@@H]3CCCCO3)CC2)C[C@@H](C)O1 ZINC000177488591 426488923 /nfs/dbraw/zinc/48/89/23/426488923.db2.gz ANEAPTVAYOFASP-LMMKCTJWSA-N 2 0 324.509 2.767 20 0 DFADRP COCCCC[NH+]1CCC(CC[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000177494145 426490053 /nfs/dbraw/zinc/49/00/53/426490053.db2.gz MNWKYKQYKVGXLG-IRXDYDNUSA-N 2 0 312.498 2.624 20 0 DFADRP C[NH+](C)Cc1ccc(CN[C@H](c2ncc[nH]2)c2cccnc2)cc1 ZINC000194966809 426496918 /nfs/dbraw/zinc/49/69/18/426496918.db2.gz UOKNZXHVOTYDNF-SFHVURJKSA-N 2 0 321.428 2.746 20 0 DFADRP C[C@@H]1C[C@H](N[C@H](c2cnn(C)c2)c2ccc(F)cc2)CC[N@@H+]1C ZINC000186638108 426569855 /nfs/dbraw/zinc/56/98/55/426569855.db2.gz JNVPVZDXJPXBLM-XWIAVFTESA-N 2 0 316.424 2.721 20 0 DFADRP CC[NH+]1CCN(CCC[NH2+][C@H]2C[C@@H](C)c3ccccc32)CC1 ZINC000289153757 426593267 /nfs/dbraw/zinc/59/32/67/426593267.db2.gz GOFVIPLCVRJKTF-APWZRJJASA-N 2 0 301.478 2.852 20 0 DFADRP C[C@H](CCNC(=O)c1sccc1C[NH+](C)C)[NH+]1CCCCC1 ZINC000273110122 426594795 /nfs/dbraw/zinc/59/47/95/426594795.db2.gz AXQOCNPNAMQGNL-CQSZACIVSA-N 2 0 323.506 2.804 20 0 DFADRP C[C@@H](O)c1ncc(CNCCC[N@H+](C)Cc2ccccc2)s1 ZINC000289253616 426613740 /nfs/dbraw/zinc/61/37/40/426613740.db2.gz MAVPZJBXCOCPIE-CQSZACIVSA-N 2 0 319.474 2.808 20 0 DFADRP CC(C)[NH+]1CCC(O)(C[NH2+]C[C@@H](C)Cc2ccccc2)CC1 ZINC000273214681 426618948 /nfs/dbraw/zinc/61/89/48/426618948.db2.gz OAEGHQUJEICBBF-KRWDZBQOSA-N 2 0 304.478 2.690 20 0 DFADRP CC[NH+]1CCN([C@H](C)C[NH2+][C@@H](Cc2ccccc2)C(C)C)CC1 ZINC000187003851 426620211 /nfs/dbraw/zinc/62/02/11/426620211.db2.gz IKQNMYVAMYWAKW-QUCCMNQESA-N 2 0 317.521 2.869 20 0 DFADRP C[C@@H](CCN1CC[NH+](C)CC1)[NH2+][C@H]1CC(C)(C)Cc2occc21 ZINC000186586760 426555898 /nfs/dbraw/zinc/55/58/98/426555898.db2.gz NWAPUFFRYYQNPD-RDJZCZTQSA-N 2 0 319.493 2.909 20 0 DFADRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+][C@H](C)[C@@H](C)c1ccccc1 ZINC000186586532 426556553 /nfs/dbraw/zinc/55/65/53/426556553.db2.gz YWZACBVRXQXRQV-KZNAEPCWSA-N 2 0 303.494 2.794 20 0 DFADRP CC[C@H](Cc1ccccc1)[NH2+][C@H](C)CCN1CC[NH+](C)CC1 ZINC000186589971 426558917 /nfs/dbraw/zinc/55/89/17/426558917.db2.gz HCMDMUWKUJSYJC-IEBWSBKVSA-N 2 0 303.494 2.623 20 0 DFADRP COc1ccc(C)cc1[C@@H](C)NCCC[NH+]1CCC(O)CC1 ZINC000178521198 426646060 /nfs/dbraw/zinc/64/60/60/426646060.db2.gz YXKVBCGTTBWCLG-OAHLLOKOSA-N 2 0 306.450 2.501 20 0 DFADRP CN(CCC[N@H+](C)Cc1cccc(C(F)F)c1)CC[NH+](C)C ZINC000289435780 426656198 /nfs/dbraw/zinc/65/61/98/426656198.db2.gz OCADUNURWCWBPX-UHFFFAOYSA-N 2 0 313.436 2.940 20 0 DFADRP C[NH+](C)C/C=C/C(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC000265589887 426658537 /nfs/dbraw/zinc/65/85/37/426658537.db2.gz AMLCTGVLLYZTMK-VOTSOKGWSA-N 2 0 315.461 2.771 20 0 DFADRP C[C@@H]1C[C@@H](C[NH2+]Cc2ccc(Br)s2)CC[NH2+]1 ZINC000235390713 426661211 /nfs/dbraw/zinc/66/12/11/426661211.db2.gz LNBZSMGJYGDRSQ-ZJUUUORDSA-N 2 0 303.269 2.988 20 0 DFADRP CCCOc1cccc(C[N@H+](C)CCCN2CC[NH+](C)CC2)c1 ZINC000289460434 426663775 /nfs/dbraw/zinc/66/37/75/426663775.db2.gz OIJFPFJJSSXWKK-UHFFFAOYSA-N 2 0 319.493 2.545 20 0 DFADRP CC1CC[NH+](C[C@@H]2CCCN(C(=O)C3([NH3+])CCCCC3)C2)CC1 ZINC000236624390 426666516 /nfs/dbraw/zinc/66/65/16/426666516.db2.gz NNXYBZRKPOULAG-KRWDZBQOSA-N 2 0 321.509 2.619 20 0 DFADRP C[C@H]1C[C@@H]([NH2+]CC2CC[NH+](Cc3ccccc3)CC2)CC[N@@H+]1C ZINC000178634575 426667455 /nfs/dbraw/zinc/66/74/55/426667455.db2.gz PYJONMFCDLNGBD-PXNSSMCTSA-N 3 0 315.505 2.971 20 0 DFADRP CCCC[C@H]([NH3+])C(=O)NC[C@H](c1ccccc1)[NH+](CC)CC ZINC000236804989 426687365 /nfs/dbraw/zinc/68/73/65/426687365.db2.gz KYQLCTYKHGHUJE-DLBZAZTESA-N 2 0 305.466 2.703 20 0 DFADRP C[NH2+]CCCC(=O)NCc1ccccc1C[N@@H+]1CCC[C@@H](C)C1 ZINC000178690729 426676552 /nfs/dbraw/zinc/67/65/52/426676552.db2.gz VGFVCXQJBFHANZ-MRXNPFEDSA-N 2 0 317.477 2.534 20 0 DFADRP CCCN1Cc2cccc(NC(=O)[C@H]3CC[NH2+][C@@H]3CC)c2C1 ZINC000290062959 426683708 /nfs/dbraw/zinc/68/37/08/426683708.db2.gz UTQAFGZUPHXFFZ-GOEBONIOSA-N 2 0 301.434 2.739 20 0 DFADRP CC(C)[C@H]([NH3+])C(=O)NCc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000236767555 426684260 /nfs/dbraw/zinc/68/42/60/426684260.db2.gz HJUCYKGXPIEWDX-SFHVURJKSA-N 2 0 317.477 2.662 20 0 DFADRP Cc1nc(C)c([C@H](C)[NH2+]CC2CC[NH+](CCN(C)C)CC2)s1 ZINC000178738930 426685359 /nfs/dbraw/zinc/68/53/59/426685359.db2.gz XOSJTKJBCBAQCO-ZDUSSCGKSA-N 2 0 324.538 2.684 20 0 DFADRP Cn1cncc1CC[N@H+](C)Cc1ccc(Br)cc1 ZINC000290068942 426685757 /nfs/dbraw/zinc/68/57/57/426685757.db2.gz PWCTUNWRZPGJCP-UHFFFAOYSA-N 2 0 308.223 2.857 20 0 DFADRP C[C@@H]([NH2+]CCC[NH+]1CCCC1)c1ccc(N2CCOC2=O)cc1 ZINC000178412180 426624207 /nfs/dbraw/zinc/62/42/07/426624207.db2.gz SWTJNJWYFKYETN-OAHLLOKOSA-N 2 0 317.433 2.780 20 0 DFADRP COc1cc(C)c([C@@H](C)[NH2+][C@@H](C)CN2CC[NH+](C)CC2)cc1C ZINC000273242556 426624505 /nfs/dbraw/zinc/62/45/05/426624505.db2.gz YYFSYKWUEJDURP-DLBZAZTESA-N 2 0 319.493 2.599 20 0 DFADRP C[C@H]([NH2+]CCC[NH+]1CCCC1)c1ccc(N2CCCC2=O)cc1 ZINC000178414462 426624805 /nfs/dbraw/zinc/62/48/05/426624805.db2.gz PBXNZFMFEPSEFS-INIZCTEOSA-N 2 0 315.461 2.950 20 0 DFADRP C[NH+](C)CCC[NH2+][C@H]1CCCN(C(=O)Oc2ccccc2)CC1 ZINC000289314010 426625717 /nfs/dbraw/zinc/62/57/17/426625717.db2.gz UBAQZTLKPBKFCN-INIZCTEOSA-N 2 0 319.449 2.581 20 0 DFADRP Cc1nn(C)cc1[C@H](C)[NH2+]C1CCN(c2cccc(C)n2)CC1 ZINC000178418399 426626903 /nfs/dbraw/zinc/62/69/03/426626903.db2.gz FFCOGXKGDPRIEG-AWEZNQCLSA-N 2 0 313.449 2.752 20 0 DFADRP COc1cc2c(cc1F)[nH+]ccc2N1CCC[C@H]([NH+](C)C)C1 ZINC000280652363 426627627 /nfs/dbraw/zinc/62/76/27/426627627.db2.gz FPLANNNEXAAHQR-LBPRGKRZSA-N 2 0 303.381 2.913 20 0 DFADRP Cc1ccc(C[NH+](C)C)cc1NC(=O)[C@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000178829423 426703953 /nfs/dbraw/zinc/70/39/53/426703953.db2.gz AQGHLZZXSGASOA-XYJFISCASA-N 2 0 315.461 2.916 20 0 DFADRP C[C@@H]1C[C@@H]([NH2+]CCN2CCc3c(Cl)cccc3C2)CC[N@@H+]1C ZINC000187998171 426714035 /nfs/dbraw/zinc/71/40/35/426714035.db2.gz ZQFOZLNKWLNPTI-ZBFHGGJFSA-N 2 0 321.896 2.770 20 0 DFADRP C[C@@H]1C[C@@H](N(C)Cc2ccc(Br)o2)CC[N@@H+]1C ZINC000188075957 426720987 /nfs/dbraw/zinc/72/09/87/426720987.db2.gz PXKFYOXUDHEHDQ-MNOVXSKESA-N 2 0 301.228 2.957 20 0 DFADRP CCCOc1ccc([C@H](C)[NH2+]C[C@H](C)N2CC[NH+](C)CC2)cc1 ZINC000178774662 426691648 /nfs/dbraw/zinc/69/16/48/426691648.db2.gz OHCIEAJXZKUORJ-IRXDYDNUSA-N 2 0 319.493 2.762 20 0 DFADRP C[C@@H]([NH2+]CCN1CC=CCC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000280950701 426692594 /nfs/dbraw/zinc/69/25/94/426692594.db2.gz JRKXKTANFHKBBB-QUCCMNQESA-N 2 0 313.489 2.749 20 0 DFADRP [NH3+]Cc1ccc(C(=O)NC2CC[NH+](C3CCCCC3)CC2)cc1 ZINC000237961051 426698117 /nfs/dbraw/zinc/69/81/17/426698117.db2.gz WCOJAHPSXONLLG-UHFFFAOYSA-N 2 0 315.461 2.672 20 0 DFADRP CC[C@@H](C(=O)NC[C@@H](c1cccs1)[NH+](C)C)[NH+](CC)CC ZINC000266728613 426769764 /nfs/dbraw/zinc/76/97/64/426769764.db2.gz NYBIGBFBQMYKIS-KBPBESRZSA-N 2 0 311.495 2.587 20 0 DFADRP CC(C)[NH+]1CCC([NH2+]C[C@]2(O)CCC[C@@H](C(F)(F)F)C2)CC1 ZINC000188625168 426771421 /nfs/dbraw/zinc/77/14/21/426771421.db2.gz TWRBQTHKSFCKMX-HIFRSBDPSA-N 2 0 322.415 2.932 20 0 DFADRP Cc1nccn1CCCC[N@@H+]1CC[C@@H](C(=O)OC(C)(C)C)C1 ZINC000179446901 426789871 /nfs/dbraw/zinc/78/98/71/426789871.db2.gz BCKCUABBEVMPBF-OAHLLOKOSA-N 2 0 307.438 2.635 20 0 DFADRP C[C@H]1CCC[N@H+](CCCC[NH2+][C@H](c2nccn2C)C2CC2)C1 ZINC000245902844 426780644 /nfs/dbraw/zinc/78/06/44/426780644.db2.gz SNLWFDNAXCSGLF-RDJZCZTQSA-N 2 0 304.482 2.973 20 0 DFADRP CC[N@H+](Cc1ccc(C(=O)N2CC[C@@H](C[NH2+]C)C2)cc1)C(C)C ZINC000178991459 426731689 /nfs/dbraw/zinc/73/16/89/426731689.db2.gz TVVLHKRWKUCODJ-KRWDZBQOSA-N 2 0 317.477 2.598 20 0 DFADRP Cc1ccc2nc(C[N@H+]3CC[C@H](C4CC[NH+](C)CC4)C3)cn2c1 ZINC000290301453 426736430 /nfs/dbraw/zinc/73/64/30/426736430.db2.gz BIXQVYSGDCHQMV-KRWDZBQOSA-N 2 0 312.461 2.806 20 0 DFADRP C[N@H+](C[C@@]1(O)CCN(Cc2ccccc2)C1)[C@H]1C=CCCC1 ZINC000188275407 426738155 /nfs/dbraw/zinc/73/81/55/426738155.db2.gz BRAASBWTQHSMHM-OALUTQOASA-N 2 0 300.446 2.664 20 0 DFADRP COc1cccc(C[N@@H+]2CC[C@@H](C3CC[NH+](C)CC3)C2)c1OC ZINC000290345340 426747553 /nfs/dbraw/zinc/74/75/53/426747553.db2.gz FUAKSNYJHMDYGX-MRXNPFEDSA-N 2 0 318.461 2.868 20 0 DFADRP C[C@@H]([NH2+]Cc1ccncc1OCCC[NH+](C)C)c1ccncc1 ZINC000290356544 426750244 /nfs/dbraw/zinc/75/02/44/426750244.db2.gz QKWBXSVFWOIVBG-OAHLLOKOSA-N 2 0 314.433 2.658 20 0 DFADRP Cn1nccc1C[NH2+][C@@H]1c2ccccc2CC[C@@H]1n1ccnc1 ZINC000290416207 426759424 /nfs/dbraw/zinc/75/94/24/426759424.db2.gz KIVSTDZDVOTCCF-ZWKOTPCHSA-N 2 0 307.401 2.635 20 0 DFADRP COCc1cccc(C[N@@H+]2CC[C@H](C3CC[NH+](C)CC3)C2)c1 ZINC000290429517 426762264 /nfs/dbraw/zinc/76/22/64/426762264.db2.gz LFFQUBVZGIBALM-IBGZPJMESA-N 2 0 302.462 2.997 20 0 DFADRP COCC[C@](C)(O)C[NH2+]CC(C)(C)C[N@H+](C)Cc1ccccc1 ZINC000266946970 426803285 /nfs/dbraw/zinc/80/32/85/426803285.db2.gz FJHPQMJAIGLCBZ-IBGZPJMESA-N 2 0 322.493 2.522 20 0 DFADRP C[NH2+]C[C@@H](C)C(=O)Nc1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000246158396 426805982 /nfs/dbraw/zinc/80/59/82/426805982.db2.gz AAWHNEWITDXDRP-LSDHHAIUSA-N 2 0 303.450 2.713 20 0 DFADRP C[C@@H](CC(=O)NCCCC[N@@H+]1CCC[C@H](C)C1)C1CC[NH2+]CC1 ZINC000246229922 426812122 /nfs/dbraw/zinc/81/21/22/426812122.db2.gz HOTRSCRDRHJXLV-IRXDYDNUSA-N 2 0 323.525 2.641 20 0 DFADRP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)[C@H]1CCCCCC[C@H]1[NH3+] ZINC000246240482 426812295 /nfs/dbraw/zinc/81/22/95/426812295.db2.gz IUHAUMOJDMYVJW-LTIDMASMSA-N 2 0 309.498 2.521 20 0 DFADRP CCC[N@H+](C)C[C@@H]1CCN([C@H](C)c2ccc(C(=O)OC)o2)C1 ZINC000267030585 426813574 /nfs/dbraw/zinc/81/35/74/426813574.db2.gz AUYCMDWKFMVDEP-KGLIPLIRSA-N 2 0 308.422 2.791 20 0 DFADRP C[NH+](C)CCOc1cc(C[NH2+][C@@H]2CCC[C@H]3C[C@]32C)ccn1 ZINC000282017360 426813757 /nfs/dbraw/zinc/81/37/57/426813757.db2.gz DVNBDWNGTWMUID-LZLYRXPVSA-N 2 0 303.450 2.690 20 0 DFADRP C[C@@H](c1ccccn1)[NH+]1CCC(C[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000267079260 426820717 /nfs/dbraw/zinc/82/07/17/426820717.db2.gz QKFJJANUJANYHE-ZACQAIPSSA-N 2 0 317.477 2.964 20 0 DFADRP COc1cccc(C2(C[NH2+][C@@H]3CC[N@@H+]4CCC[C@H]4C3)CC2)c1 ZINC000290724980 426826204 /nfs/dbraw/zinc/82/62/04/426826204.db2.gz OXHDMWFKEFCFRW-SJORKVTESA-N 2 0 300.446 2.943 20 0 DFADRP COc1cccc(C2(C[NH2+][C@H]3CC[N@@H+]4CCC[C@@H]4C3)CC2)c1 ZINC000290724955 426826960 /nfs/dbraw/zinc/82/69/60/426826960.db2.gz OXHDMWFKEFCFRW-DLBZAZTESA-N 2 0 300.446 2.943 20 0 DFADRP COc1cccc(C2(C[NH2+][C@@H]3CC[N@@H+]4CCC[C@@H]4C3)CC2)c1 ZINC000290724962 426827061 /nfs/dbraw/zinc/82/70/61/426827061.db2.gz OXHDMWFKEFCFRW-IAGOWNOFSA-N 2 0 300.446 2.943 20 0 DFADRP C[C@@H]1C[C@H]([NH2+]C[C@](C)(O)C[NH+](C)C)C[C@@H](c2ccccc2)C1 ZINC000246420137 426832298 /nfs/dbraw/zinc/83/22/98/426832298.db2.gz NCKSTPOKQKFMFH-WNHJNPCNSA-N 2 0 304.478 2.861 20 0 DFADRP COc1cc(C[N@@H+]2CCC[C@@H]2Cn2ccnc2C)ccc1O ZINC000180091028 426835493 /nfs/dbraw/zinc/83/54/93/426835493.db2.gz IUCAZLNCMSJTCF-OAHLLOKOSA-N 2 0 301.390 2.570 20 0 DFADRP CC(C)[C@@H](O)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000180148821 426837997 /nfs/dbraw/zinc/83/79/97/426837997.db2.gz QUJGJYCYXJYEOA-IPQPSQTFSA-N 2 0 302.462 2.789 20 0 DFADRP O[C@H]1CCC[C@@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000180147710 426839241 /nfs/dbraw/zinc/83/92/41/426839241.db2.gz OCDGRTRNVXDJQR-JEQQUTEPSA-N 2 0 300.446 2.685 20 0 DFADRP CCC[NH2+][C@@H](C)C(=O)NCC(C)(C)[NH2+][C@H](C)c1ccccc1 ZINC000295162955 426846300 /nfs/dbraw/zinc/84/63/00/426846300.db2.gz KRZQSVOAOQQLJW-CABCVRRESA-N 2 0 305.466 2.620 20 0 DFADRP CC(C)[C@@H]([NH2+]CCN1CC[N@H+](C)C(C)(C)C1)c1ccccc1 ZINC000282194027 426850411 /nfs/dbraw/zinc/85/04/11/426850411.db2.gz GKIVFIOLYBPWLU-GOSISDBHSA-N 2 0 303.494 2.999 20 0 DFADRP CC[NH+]1CCN(Cc2ccc(CNc3ccccn3)cc2)CC1 ZINC000267247410 426853891 /nfs/dbraw/zinc/85/38/91/426853891.db2.gz TVKMVIPJHDRELU-UHFFFAOYSA-N 2 0 310.445 2.831 20 0 DFADRP c1ccc([C@H]2C[C@H]2[NH+]2CCC(C[NH+]3CCOCC3)CC2)cc1 ZINC000274554762 426791747 /nfs/dbraw/zinc/79/17/47/426791747.db2.gz YMKVGBZZZBJEIX-RTBURBONSA-N 2 0 300.446 2.587 20 0 DFADRP CC[NH+](CC)[C@H](C(=O)NC[C@H]1CC[N@H+](CC)C1)c1ccccc1 ZINC000246050065 426793865 /nfs/dbraw/zinc/79/38/65/426793865.db2.gz VALMPTNGRGORFT-AEFFLSMTSA-N 2 0 317.477 2.528 20 0 DFADRP OC1(C[N@@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@@H]3C2)CCCC1 ZINC000309997275 426919451 /nfs/dbraw/zinc/91/94/51/426919451.db2.gz CEZQZBHNRAUVJS-RBUKOAKNSA-N 2 0 314.473 2.745 20 0 DFADRP C[N@@H+]1CCN(CC[NH2+]CCSCc2ccccc2)CC1(C)C ZINC000282237868 426859962 /nfs/dbraw/zinc/85/99/62/426859962.db2.gz IXKIDGGSSUQSDV-UHFFFAOYSA-N 2 0 321.534 2.535 20 0 DFADRP Cc1cnc(CN2CCC(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)s1 ZINC000180465470 426862227 /nfs/dbraw/zinc/86/22/27/426862227.db2.gz WKUIIOPJZKUPNY-OKILXGFUSA-N 2 0 323.506 2.773 20 0 DFADRP Cc1ccc([C@@H](C)[NH2+]CCN2CC[N@H+](C)C(C)(C)C2)cc1C ZINC000282243965 426862338 /nfs/dbraw/zinc/86/23/38/426862338.db2.gz JENNUVKSNWTKNB-QGZVFWFLSA-N 2 0 303.494 2.980 20 0 DFADRP Cc1nccn1C[C@@H]1CCC[N@@H+]1CCOCC(F)(F)C(F)F ZINC000189509959 426873711 /nfs/dbraw/zinc/87/37/11/426873711.db2.gz NCOCPJWTHCKUDF-LBPRGKRZSA-N 2 0 323.334 2.573 20 0 DFADRP c1ccc(C[NH+]2CCC3(CC[N@@H+]([C@@H]4CCOC4)C3)CC2)cc1 ZINC000291329654 426882890 /nfs/dbraw/zinc/88/28/90/426882890.db2.gz ABXHZSDWWNJINY-GOSISDBHSA-N 2 0 300.446 2.763 20 0 DFADRP c1ccc(C[NH+]2CCC3(CC[N@@H+]([C@H]4CCOC4)C3)CC2)cc1 ZINC000291329658 426882926 /nfs/dbraw/zinc/88/29/26/426882926.db2.gz ABXHZSDWWNJINY-SFHVURJKSA-N 2 0 300.446 2.763 20 0 DFADRP CCN(CC[NH2+][C@@H]1C[C@@H](C)[N@H+](C)C[C@H]1C)C(=O)OC(C)(C)C ZINC000246982246 426886611 /nfs/dbraw/zinc/88/66/11/426886611.db2.gz KCJPFXZQVVQVGK-RBSFLKMASA-N 2 0 313.486 2.562 20 0 DFADRP COC(C[N@@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2)OC ZINC000291454881 426886695 /nfs/dbraw/zinc/88/66/95/426886695.db2.gz MOAWZAPKAHLEOZ-UHFFFAOYSA-N 2 0 318.461 2.593 20 0 DFADRP C[C@@H]1CCC[C@](CNC(=O)CC2C[C@H]3CC[C@@H](C2)[NH2+]3)([NH+](C)C)C1 ZINC000246987300 426888476 /nfs/dbraw/zinc/88/84/76/426888476.db2.gz QODSKOJTYPTMGA-YNWASFESSA-N 2 0 321.509 2.534 20 0 DFADRP C[C@H](O)[C@H]1CC[N@H+](CC(C)(C)C[NH+](C)Cc2ccccc2)C1 ZINC000180860556 426894820 /nfs/dbraw/zinc/89/48/20/426894820.db2.gz SNDOTZHFKIXGND-WMZOPIPTSA-N 2 0 304.478 2.847 20 0 DFADRP C[C@@H]1CCC[N@H+](CCCC[NH2+][C@H]2CCCc3c2cnn3C)C1 ZINC000247140696 426906784 /nfs/dbraw/zinc/90/67/84/426906784.db2.gz SHULJKMBWNCRDH-WBVHZDCISA-N 2 0 304.482 2.899 20 0 DFADRP C[C@H]([NH2+][C@@H]1CCC[C@@H]([NH+](C)C)C1)c1ccc(-n2cncn2)cc1 ZINC000247146911 426908136 /nfs/dbraw/zinc/90/81/36/426908136.db2.gz RFQHRFIGCPXMIM-YXJHDRRASA-N 2 0 313.449 2.791 20 0 DFADRP C[NH+]1CCN(C(C)(C)C[NH2+]Cc2ccc(C3CC3)cc2)CC1 ZINC000316280413 426945664 /nfs/dbraw/zinc/94/56/64/426945664.db2.gz CHGYZERFSMUKOR-UHFFFAOYSA-N 2 0 301.478 2.680 20 0 DFADRP CC(C)[C@@H]([NH3+])CCN(C)CC(=O)N(C)[C@H](C)c1ccccc1 ZINC000317117170 426955423 /nfs/dbraw/zinc/95/54/23/426955423.db2.gz CLRVTQQQRKVONN-WBVHZDCISA-N 2 0 305.466 2.511 20 0 DFADRP COc1ccc2c(c1)C[C@H]([NH2+][C@@H]1CC[N@@H+]3CCC[C@@H]3C1)CC2 ZINC000317064272 426955583 /nfs/dbraw/zinc/95/55/83/426955583.db2.gz YRSNSZRSAYXDAA-KZNAEPCWSA-N 2 0 300.446 2.769 20 0 DFADRP CC[C@@H]1CN(Cc2nc(-c3ccc(C)cc3)no2)CC[C@@H]1[NH3+] ZINC000317121954 426955626 /nfs/dbraw/zinc/95/56/26/426955626.db2.gz HKFGKQGEIWLWGM-HIFRSBDPSA-N 2 0 300.406 2.604 20 0 DFADRP C[C@@H](CNC(=O)[C@H]([NH3+])CC1CCCCC1)C[NH+]1CCCCC1 ZINC000318720907 426958916 /nfs/dbraw/zinc/95/89/16/426958916.db2.gz HHAVBENMJLYJRI-DOTOQJQBSA-N 2 0 309.498 2.522 20 0 DFADRP C[C@H](CC(=O)Nc1ccccc1)[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000319385462 426961839 /nfs/dbraw/zinc/96/18/39/426961839.db2.gz KJETXUPSDCGFDR-PVAVHDDUSA-N 2 0 301.434 2.620 20 0 DFADRP c1coc([C@@H](CNC2CC[NH+](C3CC3)CC2)[NH+]2CCCC2)c1 ZINC000320109701 426964297 /nfs/dbraw/zinc/96/42/97/426964297.db2.gz GJVHYVKJPGLSJL-QGZVFWFLSA-N 2 0 303.450 2.633 20 0 DFADRP C[C@H]1C[C@H]([NH2+]C[C@@H](c2ccccc2)C(C)(C)CO)CC[N@@H+]1C ZINC000181555521 426965387 /nfs/dbraw/zinc/96/53/87/426965387.db2.gz AFKIHRLDPSCWNF-JQHSSLGASA-N 2 0 304.478 2.861 20 0 DFADRP CC[C@H]1CCCC[C@H]1[NH2+]Cc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000181738617 426976863 /nfs/dbraw/zinc/97/68/63/426976863.db2.gz KURAPMYRMPAZSE-ZWKOTPCHSA-N 2 0 316.493 2.892 20 0 DFADRP Cc1nc(C)c([C@@H](C)[NH2+]CCCC[N@@H+]2CCC[C@H]2CO)s1 ZINC000248217542 426986858 /nfs/dbraw/zinc/98/68/58/426986858.db2.gz ZYFHLIZFJYRLBW-DOMZBBRYSA-N 2 0 311.495 2.647 20 0 DFADRP C[NH+](C)CCC1CCN(C(=O)c2sccc2C[NH+](C)C)CC1 ZINC000268162484 426933821 /nfs/dbraw/zinc/93/38/21/426933821.db2.gz TYJOOHLWDOVUMF-UHFFFAOYSA-N 2 0 323.506 2.614 20 0 DFADRP CN(Cc1ccc2c(c1)COC(C)(C)O2)C[C@H]1CC[N@H+](C)C1 ZINC000275870919 426935632 /nfs/dbraw/zinc/93/56/32/426935632.db2.gz YBOFFUQEVVTRSN-HNNXBMFYSA-N 2 0 304.434 2.715 20 0 DFADRP CN(Cc1ccccn1)[C@@H]1CCC[N@H+](Cc2cccn2C)CC1 ZINC000275894568 426943868 /nfs/dbraw/zinc/94/38/68/426943868.db2.gz ZUOIUHSFKAQBAO-GOSISDBHSA-N 2 0 312.461 2.907 20 0 DFADRP CCC[C@H](C(=O)NC[C@H](c1ccccc1)[NH+](CC)CC)[NH+](C)C ZINC000337950635 427056108 /nfs/dbraw/zinc/05/61/08/427056108.db2.gz ZXCACDOZWZFEFV-QZTJIDSGSA-N 2 0 319.493 2.916 20 0 DFADRP C[C@H]1C[C@H]1C[NH2+]Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000268372480 426997735 /nfs/dbraw/zinc/99/77/35/426997735.db2.gz SAHFYHMHOGTGRZ-RDJZCZTQSA-N 2 0 301.478 2.963 20 0 DFADRP COCCC[NH+]1CCC([NH2+]Cc2ccc(C(C)(C)O)cc2)CC1 ZINC000295546832 426999967 /nfs/dbraw/zinc/99/99/67/426999967.db2.gz WTVDUNDNXRRFEH-UHFFFAOYSA-N 2 0 320.477 2.505 20 0 DFADRP CO[C@@H](C)CC[NH2+]Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000268384779 427003982 /nfs/dbraw/zinc/00/39/82/427003982.db2.gz VWGUNCPODPLKIX-INIZCTEOSA-N 2 0 319.493 2.732 20 0 DFADRP Cc1noc(C2CCC([NH2+]C3CCC([NH+](C)C)CC3)CC2)n1 ZINC000329195098 427061634 /nfs/dbraw/zinc/06/16/34/427061634.db2.gz UATZGFOJYBMLRH-UHFFFAOYSA-N 2 0 306.454 2.867 20 0 DFADRP C[N@@H+]1CCC[C@@H]2C[NH+](CCCc3ccc4c(c3)CCO4)CC[C@@H]21 ZINC000190055888 427011371 /nfs/dbraw/zinc/01/13/71/427011371.db2.gz UZXXOBSNONMZNC-MOPGFXCFSA-N 2 0 314.473 2.970 20 0 DFADRP C[C@H]1C[N@H+](CC(C)(C)C[NH+](C)Cc2ccccc2)CC[C@@H]1O ZINC000190056703 427011467 /nfs/dbraw/zinc/01/14/67/427011467.db2.gz VXMSVTMMXLLFKO-WMZOPIPTSA-N 2 0 304.478 2.847 20 0 DFADRP CC(C)[C@@H]([NH3+])C(=O)NCc1ccc(C[NH+]2CCC(C)CC2)cc1 ZINC000291933664 427033771 /nfs/dbraw/zinc/03/37/71/427033771.db2.gz CGNXNBTYTIDOFD-GOSISDBHSA-N 2 0 317.477 2.518 20 0 DFADRP Cn1ccnc1C[C@@H]1CCC[N@H+](CCCC(=O)OC(C)(C)C)C1 ZINC000182292918 427047220 /nfs/dbraw/zinc/04/72/20/427047220.db2.gz JABSRTQBKSCEBQ-HNNXBMFYSA-N 2 0 321.465 2.797 20 0 DFADRP C[C@H]([NH2+]C[C@@H](O)CC(F)(F)F)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000248864360 427055251 /nfs/dbraw/zinc/05/52/51/427055251.db2.gz ASDGMXONYKJXRZ-OBJOEFQTSA-N 2 0 308.388 2.542 20 0 DFADRP CC(C)[C@@H](CO)[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000248993883 427073729 /nfs/dbraw/zinc/07/37/29/427073729.db2.gz OICBIZRBJWTKMW-FCGDIQPGSA-N 2 0 302.462 2.789 20 0 DFADRP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@@H]2CCC[C@H]2CCCF)CC1 ZINC000337990084 427077212 /nfs/dbraw/zinc/07/72/12/427077212.db2.gz SLYSGEKNHITHIU-FGTMMUONSA-N 2 0 313.505 2.768 20 0 DFADRP C[NH+]1CCN(c2ccc(C[NH2+][C@H]3CC[C@H]3C3CCC3)cn2)CC1 ZINC000338005198 427088451 /nfs/dbraw/zinc/08/84/51/427088451.db2.gz WVWJQQAPDKKGAO-ROUUACIJSA-N 2 0 314.477 2.502 20 0 DFADRP O[C@@H]1CC[N@H+](Cc2ccccc2C[NH2+][C@H]2CC[C@H]2C2CCC2)C1 ZINC000338009039 427090087 /nfs/dbraw/zinc/09/00/87/427090087.db2.gz FQGZXNMINWQAEW-AABGKKOBSA-N 2 0 314.473 2.922 20 0 DFADRP CC[N@@H+]1CC[C@@H]([NH+](C)C[C@H](O)CCc2ccccc2)[C@H](C)C1 ZINC000182528521 427093248 /nfs/dbraw/zinc/09/32/48/427093248.db2.gz UEJMUPWSNWHVRY-BHIYHBOVSA-N 2 0 304.478 2.642 20 0 DFADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]C[C@@]1(O)CCC[C@@H](C(F)(F)F)C1 ZINC000249192209 427093485 /nfs/dbraw/zinc/09/34/85/427093485.db2.gz OOJJULGTVKSZSY-ARILJUKYSA-N 2 0 322.415 2.788 20 0 DFADRP [NH3+]C1(C(=O)Nc2ccc(CC[NH+]3CCCCC3)cc2)CCC1 ZINC000296181873 427102653 /nfs/dbraw/zinc/10/26/53/427102653.db2.gz XUIVZAGZGVDSJT-UHFFFAOYSA-N 2 0 301.434 2.535 20 0 DFADRP CC[N@@H+]1CC[C@H](N[C@@H]2CC[NH+](Cc3ccccc3)C2)[C@@H](C)C1 ZINC000268719828 427102964 /nfs/dbraw/zinc/10/29/64/427102964.db2.gz NYKITJOEFAYQHA-UHOSZYNNSA-N 2 0 301.478 2.581 20 0 DFADRP CC(C)[C@@H](Cn1cccn1)[NH2+]Cc1ccc(F)c(C[NH+](C)C)c1 ZINC000283943251 427105981 /nfs/dbraw/zinc/10/59/81/427105981.db2.gz FLSKUPATZZOAGK-GOSISDBHSA-N 2 0 318.440 2.898 20 0 DFADRP Cc1nc2ccccc2n1CC[NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@H]1C ZINC000249329623 427107073 /nfs/dbraw/zinc/10/70/73/427107073.db2.gz VXTUSAZGAZKAIE-JKIFEVAISA-N 2 0 300.450 2.663 20 0 DFADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NCCC[NH+]1CCCC1 ZINC000268753931 427108417 /nfs/dbraw/zinc/10/84/17/427108417.db2.gz WOJCLHJEWSYKHF-QUCCMNQESA-N 2 0 315.505 2.973 20 0 DFADRP C[C@@H](C(=O)NC[C@]1([NH+](C)C)CCC[C@@H](C)C1)[NH+]1[C@@H](C)CC[C@@H]1C ZINC000338053577 427116803 /nfs/dbraw/zinc/11/68/03/427116803.db2.gz VFLBQCXLZALHER-QSUVVDIXSA-N 2 0 323.525 2.874 20 0 DFADRP CNC(=O)C[C@H](C)[NH2+]Cc1ccc(C[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000268798699 427117860 /nfs/dbraw/zinc/11/78/60/427117860.db2.gz GXHUBFXKPVSOQD-HOTGVXAUSA-N 2 0 317.477 2.675 20 0 DFADRP C[C@H]1C[C@@H](NCc2ccc(N3CCCCC3)nc2)CC[N@@H+]1C ZINC000268797049 427118823 /nfs/dbraw/zinc/11/88/23/427118823.db2.gz WXSPCBKHZVRBJQ-RDJZCZTQSA-N 2 0 302.466 2.644 20 0 DFADRP CC[NH+](CC)[C@@H](C(=O)N[C@@H](C)CCCC[NH3+])c1ccccc1 ZINC000292030556 427063967 /nfs/dbraw/zinc/06/39/67/427063967.db2.gz GSBXFPJPSWDJPV-DOTOQJQBSA-N 2 0 305.466 2.703 20 0 DFADRP C[C@H](C(=O)NCC[N@H+](C)C1CCCCC1)[NH+]1[C@H](C)CC[C@H]1C ZINC000338082809 427133918 /nfs/dbraw/zinc/13/39/18/427133918.db2.gz BPZZEQAHCIYSDO-BZUAXINKSA-N 2 0 309.498 2.628 20 0 DFADRP CNC(=O)C[C@@H](C)[NH2+]Cc1cccc(C[NH+]2CCCCCC2)c1 ZINC000268842728 427135535 /nfs/dbraw/zinc/13/55/35/427135535.db2.gz WDRSVBCIXPHSQQ-MRXNPFEDSA-N 2 0 317.477 2.677 20 0 DFADRP CN(C)CC[NH+]1CCC(C[NH2+][C@@H]2CCc3c2cccc3F)CC1 ZINC000268853864 427135656 /nfs/dbraw/zinc/13/56/56/427135656.db2.gz HXPKMBURWSRNLH-LJQANCHMSA-N 2 0 319.468 2.676 20 0 DFADRP C[N@@H+]1CC[C@@]2(CC[NH+](C[C@H](O)Cc3ccc4ccccc4c3)C2)C1 ZINC000292220659 427136426 /nfs/dbraw/zinc/13/64/26/427136426.db2.gz UWLVGXHKBJTFNP-NHCUHLMSSA-N 2 0 324.468 2.771 20 0 DFADRP Cc1ccccc1[C@H](C)[NH2+]CCCN1CCC[C@H]1C(=O)N(C)C ZINC000268890729 427139175 /nfs/dbraw/zinc/13/91/75/427139175.db2.gz YPDNIAKCVAYEJS-WMZOPIPTSA-N 2 0 317.477 2.588 20 0 DFADRP CC(C)[C@@H]([NH3+])C(=O)NC[C@@H](c1cccs1)[NH+]1CCC(C)CC1 ZINC000269230893 427151794 /nfs/dbraw/zinc/15/17/94/427151794.db2.gz IKHUXDNZKQKWOQ-GOEBONIOSA-N 2 0 323.506 2.621 20 0 DFADRP CCc1ccc([C@H](C)[NH2+]C[C@@H](C)CN2CC[NH+](C)CC2)s1 ZINC000121074418 271017479 /nfs/dbraw/zinc/01/74/79/271017479.db2.gz GWUDZHXCXNIQSU-CABCVRRESA-N 2 0 309.523 2.845 20 0 DFADRP C[NH+](C)Cc1cccc(C[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)c1 ZINC000121098431 271018834 /nfs/dbraw/zinc/01/88/34/271018834.db2.gz IYVJSGQETONJHL-KSZLIROESA-N 2 0 300.446 2.795 20 0 DFADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+][C@H]2CCc3cc(F)ccc32)CC1 ZINC000121108919 271022077 /nfs/dbraw/zinc/02/20/77/271022077.db2.gz IVULUAXWMVGTAN-KXBFYZLASA-N 2 0 319.468 2.676 20 0 DFADRP C[N@@H+]1CCCN(CCC[NH2+][C@H]2CC(C)(C)Cc3occc32)CC1 ZINC000128330778 271034426 /nfs/dbraw/zinc/03/44/26/271034426.db2.gz KKYHHRNIUYSVBG-KRWDZBQOSA-N 2 0 319.493 2.910 20 0 DFADRP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC1=CCCOC1 ZINC000269280949 427161985 /nfs/dbraw/zinc/16/19/85/427161985.db2.gz KLHCCHGIWCYGFO-QFBILLFUSA-N 2 0 300.446 2.833 20 0 DFADRP C[C@@H]([NH2+]CCCN1CC[NH+](C)CC1)c1cc2c(s1)CCCC2 ZINC000162517512 271085565 /nfs/dbraw/zinc/08/55/65/271085565.db2.gz HEVYNWCJMAAXQJ-OAHLLOKOSA-N 2 0 321.534 2.915 20 0 DFADRP C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)C2(C[NH3+])CCCC2)C1 ZINC000166446971 271096934 /nfs/dbraw/zinc/09/69/34/271096934.db2.gz ALPUOOVQRQKOPC-IRXDYDNUSA-N 2 0 321.509 2.619 20 0 DFADRP C[C@H](CNC(=O)[C@H]1CCCCCC[C@@H]1[NH3+])[NH+]1CCC(C)CC1 ZINC000166336578 271097149 /nfs/dbraw/zinc/09/71/49/271097149.db2.gz SOMXIKGBCNREDA-IKGGRYGDSA-N 2 0 309.498 2.521 20 0 DFADRP C[C@H]([NH2+]C1CC1)C(=O)Nc1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000296383441 427163381 /nfs/dbraw/zinc/16/33/81/427163381.db2.gz KPBHIJJKTQKXAV-GJZGRUSLSA-N 2 0 315.461 2.998 20 0 DFADRP Cc1ccccc1C[NH+]1CCN(CC[NH+]2CCC(C)CC2)CC1 ZINC000176814265 271165096 /nfs/dbraw/zinc/16/50/96/271165096.db2.gz DYIFNCPSSVAIQJ-UHFFFAOYSA-N 2 0 315.505 2.845 20 0 DFADRP CC[N@@H+]1CC[C@H]([NH+](C)CCOCC(F)(F)C(F)F)[C@H](C)C1 ZINC000189688768 271204528 /nfs/dbraw/zinc/20/45/28/271204528.db2.gz MFZRKFDATTYEFK-NEPJUHHUSA-N 2 0 314.367 2.566 20 0 DFADRP CSc1ccccc1[C@H](C)[NH2+]C[C@@H](C)N1CC[NH+](C)CC1 ZINC000194884595 271229649 /nfs/dbraw/zinc/22/96/49/271229649.db2.gz JINVVDCPFADHLE-CABCVRRESA-N 2 0 307.507 2.695 20 0 DFADRP C[C@@H]1C[C@@H]([NH2+]CC2(NC(=O)OC(C)(C)C)CCC2)CC[N@@H+]1C ZINC000230406480 271238712 /nfs/dbraw/zinc/23/87/12/271238712.db2.gz GFEZCKBHLUDBQD-KGLIPLIRSA-N 2 0 311.470 2.506 20 0 DFADRP CC(C)(C[NH3+])C(=O)NC[C@@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC000236612986 271240003 /nfs/dbraw/zinc/24/00/03/271240003.db2.gz ALWNZNLYZOFHOI-HNNXBMFYSA-N 2 0 323.868 2.578 20 0 DFADRP C[NH2+]C1CCN(C(=O)c2ccc(Nc3cc[nH+]cc3)cc2)CC1 ZINC000237148670 271244046 /nfs/dbraw/zinc/24/40/46/271244046.db2.gz CRRLJAWEDVSKKC-UHFFFAOYSA-N 2 0 310.401 2.649 20 0 DFADRP COc1cccc(CNCc2cccc(C[NH+]3CCCC3)c2)n1 ZINC000190727895 427169026 /nfs/dbraw/zinc/16/90/26/427169026.db2.gz DQJTZYUNFBVJGN-UHFFFAOYSA-N 2 0 311.429 2.976 20 0 DFADRP [NH3+]CCCCCCC(=O)N[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000237998689 271256028 /nfs/dbraw/zinc/25/60/28/271256028.db2.gz HGZQSMBOCHAYPB-SFHVURJKSA-N 2 0 317.477 2.676 20 0 DFADRP Cc1cc(C)cc(C[N@@H+](C)CC2CC[NH+](C[C@@H](C)O)CC2)c1 ZINC000264380908 271273465 /nfs/dbraw/zinc/27/34/65/271273465.db2.gz OVDBBZFOKWCUMD-QGZVFWFLSA-N 2 0 304.478 2.828 20 0 DFADRP Cc1nc2ccccc2n1C[C@H]1CCC[N@H+]1CCc1ccnn1C ZINC000284280629 427170313 /nfs/dbraw/zinc/17/03/13/427170313.db2.gz FJSOBPKBIRZZAX-QGZVFWFLSA-N 2 0 323.444 2.785 20 0 DFADRP C[C@@H]1C[C@H](N[C@@H]2CC[NH+]3CCC[C@H]3C2)C[N@@H+]1Cc1ccccc1 ZINC000303394885 271365139 /nfs/dbraw/zinc/36/51/39/271365139.db2.gz XGRHAFKBAZGUTK-LMCOJAPRSA-N 2 0 313.489 2.866 20 0 DFADRP [NH3+][C@H]1CCC[C@H]([NH2+]C2CCC3(CC2)c2ccccc2NC3=O)C1 ZINC000333343541 271371349 /nfs/dbraw/zinc/37/13/49/271371349.db2.gz YQBKPTMPUQULAC-RQMAVPSVSA-N 2 0 313.445 2.679 20 0 DFADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]CCCCNC(=O)OC(C)(C)C ZINC000183174631 427216772 /nfs/dbraw/zinc/21/67/72/427216772.db2.gz YWORHWFGJMLSMF-RBSFLKMASA-N 2 0 313.486 2.610 20 0 DFADRP COc1cccc(C[NH2+]CCCC[N@H+]2C[C@H](C)C[C@H](C)C2)n1 ZINC000190773618 427178588 /nfs/dbraw/zinc/17/85/88/427178588.db2.gz GFUQVCFJWKRZQI-IYBDPMFKSA-N 2 0 305.466 2.938 20 0 DFADRP CC[C@@H]1CCC[C@H](C[N@@H+]2CC[C@H](N3CC[NH+](CC)CC3)C2)C1 ZINC000183050497 427190941 /nfs/dbraw/zinc/19/09/41/427190941.db2.gz BHMOUDWRJXTHCV-QYZOEREBSA-N 2 0 307.526 2.915 20 0 DFADRP C[C@H]([NH2+]CCC1(O)CCC1)c1ccc(OCC[NH+](C)C)cc1 ZINC000284368458 427193646 /nfs/dbraw/zinc/19/36/46/427193646.db2.gz NMRIWRQLOHNXRL-HNNXBMFYSA-N 2 0 306.450 2.583 20 0 DFADRP CC[NH+](CC)Cc1ccc(C(=O)N2C[C@@H](C)[C@@H]([NH+](C)C)C2)cc1 ZINC000338225094 427201950 /nfs/dbraw/zinc/20/19/50/427201950.db2.gz BDZCMDQVXGWFNJ-QAPCUYQASA-N 2 0 317.477 2.551 20 0 DFADRP CCCN(CCC[NH+](C)C)C(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000190948751 427213459 /nfs/dbraw/zinc/21/34/59/427213459.db2.gz PPZQVRLHIBMMQV-UHFFFAOYSA-N 2 0 320.481 2.944 20 0 DFADRP CCc1ccc2[nH+]ccc(N3CC[C@H]4OCC[N@H+](C)[C@@H]4C3)c2c1 ZINC000296730451 427229258 /nfs/dbraw/zinc/22/92/58/427229258.db2.gz IOXJSTYNTWGEAU-RTBURBONSA-N 2 0 311.429 2.707 20 0 DFADRP Fc1ccc(/C=C/C[NH2+]CCCC[NH+]2CCOCC2)cc1F ZINC000285438896 427231184 /nfs/dbraw/zinc/23/11/84/427231184.db2.gz LEGYGCFCAFYAKD-ONEGZZNKSA-N 2 0 310.388 2.680 20 0 DFADRP CC[C@@H](C)[NH+]1CCN(c2ccccc2OCC[NH+](C)C)CC1 ZINC000337308551 271494124 /nfs/dbraw/zinc/49/41/24/271494124.db2.gz XXPOJLWFIISNSQ-MRXNPFEDSA-N 2 0 305.466 2.548 20 0 DFADRP CCc1cc(N[C@@H](C)C[NH+]2CCN(C)CC2)c2ccccc2[nH+]1 ZINC000269724237 427264791 /nfs/dbraw/zinc/26/47/91/427264791.db2.gz CYWVIDXWRXRWIK-HNNXBMFYSA-N 2 0 312.461 2.845 20 0 DFADRP OC[C@@H]1CN(Cc2ccccc2)CC[C@@H]1[NH2+]C[C@@H]1CC=CCC1 ZINC000269804007 427280429 /nfs/dbraw/zinc/28/04/29/427280429.db2.gz KKRZORKODQVVHY-HOJAQTOUSA-N 2 0 314.473 2.815 20 0 DFADRP CC(C)[C@@H](O)C[N@@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000293363405 427300674 /nfs/dbraw/zinc/30/06/74/427300674.db2.gz ONLWHPSZOBVGRS-RBUKOAKNSA-N 2 0 302.462 2.601 20 0 DFADRP CCNC(=O)[C@@H](C)[NH2+]C1CCC([N@H+](C)Cc2ccccc2)CC1 ZINC000285668037 427304411 /nfs/dbraw/zinc/30/44/11/427304411.db2.gz NEUKOQCLRZWDNC-FAEJEUNOSA-N 2 0 317.477 2.544 20 0 DFADRP C[C@H](C[NH2+]CC1CCC(C(F)(F)F)CC1)N1CC[NH+](C)CC1 ZINC000183700739 427320913 /nfs/dbraw/zinc/32/09/13/427320913.db2.gz WYZGNZNJIQSMCW-WLYUNCDWSA-N 2 0 321.431 2.581 20 0 DFADRP Cc1ccc(C[NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)c(-c2ccnn2C)c1 ZINC000338444051 427324172 /nfs/dbraw/zinc/32/41/72/427324172.db2.gz LSAWSJRSWIEAAU-DOTOQJQBSA-N 2 0 312.461 2.968 20 0 DFADRP C[C@@H]1C[N@H+](CCC[NH2+]C/C=C/c2ccc(F)cc2)CCCO1 ZINC000277862571 427343675 /nfs/dbraw/zinc/34/36/75/427343675.db2.gz NFMBDBBTQQMJHG-OUGHUQCRSA-N 2 0 306.425 2.929 20 0 DFADRP CCN(C)c1ccc(CN2CC[C@H](C[NH+](CC)CC)C2)cn1 ZINC000191407948 427344088 /nfs/dbraw/zinc/34/40/88/427344088.db2.gz YBVPGOFTMIUPID-QGZVFWFLSA-N 2 0 304.482 2.701 20 0 DFADRP C[C@@H](c1ccc2ccccc2c1)[N@@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000261970070 427348240 /nfs/dbraw/zinc/34/82/40/427348240.db2.gz YVRCVRMYCMHWHP-OXJNMPFZSA-N 2 0 309.457 2.880 20 0 DFADRP C[C@H]([NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1)c1ccc(C(=O)N(C)C)cc1 ZINC000293519317 427350450 /nfs/dbraw/zinc/35/04/50/427350450.db2.gz UGFZDAXQIVJSAP-GJZGRUSLSA-N 2 0 315.461 2.523 20 0 DFADRP C[C@@H](CCCC[NH3+])NC(=O)[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000293327450 427288247 /nfs/dbraw/zinc/28/82/47/427288247.db2.gz IUYHHODMYUMNIX-WMZOPIPTSA-N 2 0 317.477 2.675 20 0 DFADRP COc1ccc2c(c1)C[C@H]([NH2+][C@H]1CCN3CCCC[C@@H]13)CC2 ZINC000269861964 427294917 /nfs/dbraw/zinc/29/49/17/427294917.db2.gz JKCYFOSVISGCGB-NEWSRXKRSA-N 2 0 300.446 2.769 20 0 DFADRP C[N@H+](CCC(=O)Nc1cccc(F)c1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000285636935 427295413 /nfs/dbraw/zinc/29/54/13/427295413.db2.gz XLOPTDFARCNIDQ-SJPCQFCGSA-N 2 0 319.424 2.711 20 0 DFADRP [NH3+]C[C@H](NC(=O)C1([NH3+])CCCCC1)c1ccc2ccccc2c1 ZINC000262789022 427371758 /nfs/dbraw/zinc/37/17/58/427371758.db2.gz NLMNYCHZLIRYAO-KRWDZBQOSA-N 2 0 311.429 2.617 20 0 DFADRP CC(C)[NH+]1CCC(O)(C[NH2+]CCc2cccc(Cl)c2)CC1 ZINC000297647889 427418625 /nfs/dbraw/zinc/41/86/25/427418625.db2.gz MZVBNDRLHWNZEX-UHFFFAOYSA-N 2 0 310.869 2.707 20 0 DFADRP CC[N@H+](C)Cc1cccc(CNC(=O)[C@H]2CCCC[C@]2(C)[NH3+])c1 ZINC000262896437 427377868 /nfs/dbraw/zinc/37/78/68/427377868.db2.gz DCQFWTRDFZZNNA-MJGOQNOKSA-N 2 0 317.477 2.662 20 0 DFADRP COC(=O)C(C)(C)CC[N@@H+]1CC[C@H](n2cnc3c2CCCC3)C1 ZINC000338566160 427380891 /nfs/dbraw/zinc/38/08/91/427380891.db2.gz FSKKTFCROZJJIH-AWEZNQCLSA-N 2 0 319.449 2.598 20 0 DFADRP COC(=O)C(C)(C)CC[N@@H+]1CC[C@@H](n2cnc3c2CCCC3)C1 ZINC000338566161 427381714 /nfs/dbraw/zinc/38/17/14/427381714.db2.gz FSKKTFCROZJJIH-CQSZACIVSA-N 2 0 319.449 2.598 20 0 DFADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1[NH2+]CCc1cccc(C(F)(F)F)n1 ZINC000293635031 427390564 /nfs/dbraw/zinc/39/05/64/427390564.db2.gz GUTIYFXLAXKEBD-DYEKYZERSA-N 2 0 315.383 2.961 20 0 DFADRP COc1ccc(F)c(CNC2CC[NH+](CCOC(C)C)CC2)c1 ZINC000293673839 427402838 /nfs/dbraw/zinc/40/28/38/427402838.db2.gz VAKVBHLDJWIVBQ-UHFFFAOYSA-N 2 0 324.440 2.813 20 0 DFADRP c1ccc(N2CCC([NH2+]CCCCC[NH+]3CCCC3)CC2)nc1 ZINC000293680043 427406078 /nfs/dbraw/zinc/40/60/78/427406078.db2.gz KFYOQWUTGCVDSM-UHFFFAOYSA-N 2 0 316.493 2.906 20 0 DFADRP CC(C)(CCC[NH3+])NC(=O)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000293691008 427408307 /nfs/dbraw/zinc/40/83/07/427408307.db2.gz PBXXWEVSBICFPJ-QGZVFWFLSA-N 2 0 317.477 2.532 20 0 DFADRP Cn1cncc1CC[N@@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000297636955 427416081 /nfs/dbraw/zinc/41/60/81/427416081.db2.gz MJWJAODOKMUIFB-HXUWFJFHSA-N 2 0 324.472 2.561 20 0 DFADRP C[NH+](C)CCc1ccc(NC(=O)CCC2CC[NH2+]CC2)cc1 ZINC000263118341 427417390 /nfs/dbraw/zinc/41/73/90/427417390.db2.gz ATRGNVXOLCVTFA-UHFFFAOYSA-N 2 0 303.450 2.509 20 0 DFADRP C[C@@H]1COCC[C@H]1[NH2+]Cc1ccc(OCCC[NH+](C)C)cc1 ZINC000191750968 427417526 /nfs/dbraw/zinc/41/75/26/427417526.db2.gz PURPOGIAFWHNPS-CRAIPNDOSA-N 2 0 306.450 2.532 20 0 DFADRP OC[C@H](C[NH2+]C1CCN(c2ccccn2)CC1)C1CCCCC1 ZINC000293567794 427367504 /nfs/dbraw/zinc/36/75/04/427367504.db2.gz AZUIMSHERZAVOU-KRWDZBQOSA-N 2 0 317.477 2.829 20 0 DFADRP COCCC[N@H+](CCOC)Cc1ccc(-n2ccnc2)cc1C ZINC000191955620 427451930 /nfs/dbraw/zinc/45/19/30/427451930.db2.gz NRDNZGBJOZFTHF-UHFFFAOYSA-N 2 0 317.433 2.666 20 0 DFADRP C[C@H]([NH2+][C@@H]1CCOC[C@@H]1C)c1ccc(OCC[NH+](C)C)cc1 ZINC000278788923 427452033 /nfs/dbraw/zinc/45/20/33/427452033.db2.gz YPARTIQMDVFQCJ-RLFYNMQTSA-N 2 0 306.450 2.703 20 0 DFADRP CO[C@H](C[NH2+][C@@H](C)c1cccc(OCC[NH+](C)C)c1)C1CC1 ZINC000293840116 427456386 /nfs/dbraw/zinc/45/63/86/427456386.db2.gz XRWPMZFZKINHSA-KBXCAEBGSA-N 2 0 306.450 2.703 20 0 DFADRP Cc1nccc(N2CC[C@]3(CC[N@H+](Cc4ccccc4)C3)C2)n1 ZINC000286239813 427462734 /nfs/dbraw/zinc/46/27/34/427462734.db2.gz FHECJGCJUMQNEF-IBGZPJMESA-N 2 0 308.429 2.887 20 0 DFADRP C[NH+](C)Cc1cc(C[NH2+][C@H]2[C@@H]3CCO[C@@H]3C2(C)C)ccc1F ZINC000278839678 427472693 /nfs/dbraw/zinc/47/26/93/427472693.db2.gz UTMRNRZHTZMCTJ-XIRDDKMYSA-N 2 0 306.425 2.790 20 0 DFADRP Cc1cnccc1NC(=O)N1CC[N@@H+](C2CCC2)C[C@@H](C)C1 ZINC000297878483 427476229 /nfs/dbraw/zinc/47/62/29/427476229.db2.gz VRIPKIRPQHJLDT-CYBMUJFWSA-N 2 0 302.422 2.728 20 0 DFADRP C[C@@H]1CCC[C@H]([NH+]2CCC([NH2+][C@H]3CCC(=O)NC3(C)C)CC2)C1 ZINC000338774908 427479973 /nfs/dbraw/zinc/47/99/73/427479973.db2.gz LQGZNRBLUHFJLB-PVAVHDDUSA-N 2 0 321.509 2.676 20 0 DFADRP CC(C)C[N@H+](CC(=O)NC[C@H](c1ccccc1)[NH+](C)C)C(C)C ZINC000184571372 427488859 /nfs/dbraw/zinc/48/88/59/427488859.db2.gz XZKXUZQDKDDJQP-GOSISDBHSA-N 2 0 319.493 2.772 20 0 DFADRP CC[C@H](O)C[NH2+][C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000293901334 427483354 /nfs/dbraw/zinc/48/33/54/427483354.db2.gz ZPUCCHXTVMXAMY-INDMIFKZSA-N 2 0 302.462 2.648 20 0 DFADRP COC(=O)c1ccc(C[NH2+]CCCCC[NH+]2CCCC2)cc1 ZINC000293778144 427433502 /nfs/dbraw/zinc/43/35/02/427433502.db2.gz ZAUPWPDVZQDUAK-UHFFFAOYSA-N 2 0 304.434 2.829 20 0 DFADRP CCN1CCC[C@H]([NH2+][C@@H]2CCC[C@@H]2NC(=O)OC(C)(C)C)C1 ZINC000184554122 427487430 /nfs/dbraw/zinc/48/74/30/427487430.db2.gz BDHDVDMKIGEHSJ-ZNMIVQPWSA-N 2 0 311.470 2.506 20 0 DFADRP C[NH+](C)C1(CNC(=O)[C@H]2CCCC[C@]2(C)[NH3+])CCCCCC1 ZINC000263217804 427439397 /nfs/dbraw/zinc/43/93/97/427439397.db2.gz LEAGHFBTBMVNNY-WBVHZDCISA-N 2 0 309.498 2.665 20 0 DFADRP CC[N@@H+]1CC[C@H](N(C)Cc2c(C)nc3sc(C)nn23)[C@@H](C)C1 ZINC000271192985 427443488 /nfs/dbraw/zinc/44/34/88/427443488.db2.gz MRZNPTKKRBCGTE-FZMZJTMJSA-N 2 0 321.494 2.570 20 0 DFADRP CC(C)[C@@H]1C[C@@H]([NH2+]C[C@H]2CN(C)CCN2C)c2ccccc21 ZINC000278902266 427493069 /nfs/dbraw/zinc/49/30/69/427493069.db2.gz ZLOCYLMOFUXTBX-ZYSHUDEJSA-N 2 0 301.478 2.706 20 0 DFADRP c1ccc(C[N@@H+]2CC[C@@H](N3CC[C@@H]([NH+]4CCCCC4)C3)C2)cc1 ZINC000271437399 427537010 /nfs/dbraw/zinc/53/70/10/427537010.db2.gz RCASYOLNUQGKCW-WOJBJXKFSA-N 2 0 313.489 2.821 20 0 DFADRP C[C@H](C[NH2+][C@@H](C)c1ccc(N2CCCOC2=O)cc1)C[NH+](C)C ZINC000294073393 427540455 /nfs/dbraw/zinc/54/04/55/427540455.db2.gz HYBWQNCHVLUDSR-CABCVRRESA-N 2 0 319.449 2.882 20 0 DFADRP C[C@@H]1COCC[C@@H]1[NH2+]CC1CC[NH+](Cc2cccs2)CC1 ZINC000192520704 427555823 /nfs/dbraw/zinc/55/58/23/427555823.db2.gz LQNJHXHICZXZCA-PBHICJAKSA-N 2 0 308.491 2.975 20 0 DFADRP Cc1n[nH]cc1C[NH2+][C@@H](C)c1cccc(OCC[NH+](C)C)c1 ZINC000271506557 427564357 /nfs/dbraw/zinc/56/43/57/427564357.db2.gz NZKMYTUJPRULDL-ZDUSSCGKSA-N 2 0 302.422 2.509 20 0 DFADRP C[C@H]1[C@H](N[C@@H]2CC[NH+](C)[C@H](C)C2)CC[N@@H+]1Cc1ccccc1 ZINC000287299064 427570988 /nfs/dbraw/zinc/57/09/88/427570988.db2.gz KOARJPAHBXECBJ-UKBAYJJMSA-N 2 0 301.478 2.722 20 0 DFADRP CN(C)[C@@H](C[NH2+]C1CCN(c2cc[nH+]cc2)CC1)c1ccco1 ZINC000298345154 427576875 /nfs/dbraw/zinc/57/68/75/427576875.db2.gz JKYCDWVVAXISBL-KRWDZBQOSA-N 2 0 314.433 2.536 20 0 DFADRP CCc1oc(CN(C)[C@@H]2CC[N@@H+](CC)C[C@@H]2C)cc1C(=O)OC ZINC000338944961 427577594 /nfs/dbraw/zinc/57/75/94/427577594.db2.gz PFOBWQSGGMGVFK-XJKSGUPXSA-N 2 0 322.449 2.791 20 0 DFADRP CCC[NH+](CCC)CCCNC(=O)[C@H](C)[NH+]1[C@H](C)CC[C@H]1C ZINC000341863269 271914048 /nfs/dbraw/zinc/91/40/48/271914048.db2.gz NGVNSWDRLRJIGB-ZACQAIPSSA-N 2 0 311.514 2.876 20 0 DFADRP CC(C)[C@@H](CNC1C[C@H]2CC[C@@H](C1)[N@H+]2C)[NH+]1CCC(C)CC1 ZINC000192662382 427582638 /nfs/dbraw/zinc/58/26/38/427582638.db2.gz GPGVTENCEGIFBY-XVLXNVKGSA-N 3 0 307.526 2.958 20 0 DFADRP C[C@@H](CNC1C[C@H]2CC[C@@H](C1)[N@H+]2C)[NH+](C)Cc1ccccc1 ZINC000192851505 427623402 /nfs/dbraw/zinc/62/34/02/427623402.db2.gz VBAPCTFMVRYCJD-UXDRXVOSSA-N 2 0 301.478 2.722 20 0 DFADRP CC[N@@H+]1CC[C@@H](NC[C@@H]2CC[NH+](Cc3ccccc3)C2)[C@H](C)C1 ZINC000192921375 427634084 /nfs/dbraw/zinc/63/40/84/427634084.db2.gz ZNQLFWZCYAKVGK-YZGWKJHDSA-N 2 0 315.505 2.828 20 0 DFADRP CC(C)[NH+]1CCC(NC[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000192927587 427634559 /nfs/dbraw/zinc/63/45/59/427634559.db2.gz JQUHTMCONVBNHY-IBGZPJMESA-N 2 0 315.505 2.971 20 0 DFADRP CC[N@H+](C)C[C@@H]1CC[NH+](C[C@@H](O)Cc2cccc(Cl)c2)C1 ZINC000287552417 427634599 /nfs/dbraw/zinc/63/45/99/427634599.db2.gz AQYLWWUHHPEZAK-RDJZCZTQSA-N 2 0 310.869 2.517 20 0 DFADRP C[C@H]([NH2+][C@H]1CCC[C@H]([NH+](C)C)C1)c1cccc(-n2ccnn2)c1 ZINC000287558218 427638313 /nfs/dbraw/zinc/63/83/13/427638313.db2.gz GBOQQIKZGJHYKV-XIRDDKMYSA-N 2 0 313.449 2.791 20 0 DFADRP CC1CC[NH+](CCCNC(=O)CC2(C[NH3+])CCCCC2)CC1 ZINC000185353232 427639222 /nfs/dbraw/zinc/63/92/22/427639222.db2.gz YGBGKMCRUMACQM-UHFFFAOYSA-N 2 0 309.498 2.524 20 0 DFADRP CC[NH+]1CCC([NH2+]Cc2ccc(OCCCOC)cc2)CC1 ZINC000287565528 427641521 /nfs/dbraw/zinc/64/15/21/427641521.db2.gz QIWXNKRRCYTUIM-UHFFFAOYSA-N 2 0 306.450 2.676 20 0 DFADRP O[C@H](Cc1cccc(Cl)c1)C[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000287586291 427647126 /nfs/dbraw/zinc/64/71/26/427647126.db2.gz CNXAVUHMNCGZBU-FUHWJXTLSA-N 2 0 322.880 2.661 20 0 DFADRP Cc1[nH+]ccc(N2CCC([C@@H]3OCCC[C@@H]3[NH3+])CC2)c1Cl ZINC000333630014 427661508 /nfs/dbraw/zinc/66/15/08/427661508.db2.gz GLOJDJDEDQDGKI-BBRMVZONSA-N 2 0 309.841 2.766 20 0 DFADRP CCCC[N@H+](C)C[C@H](C)NCc1nccn1CC(F)(F)F ZINC000342422332 272009266 /nfs/dbraw/zinc/00/92/66/272009266.db2.gz PLZXKHKZZLKXBD-LBPRGKRZSA-N 2 0 306.376 2.655 20 0 DFADRP C[C@H]1[NH2+]CCC[C@@H]1C(=O)Nc1cccc(C[NH+]2CCCCC2)c1 ZINC000342695141 272043555 /nfs/dbraw/zinc/04/35/55/272043555.db2.gz OTVBLUCRFOOYAM-QAPCUYQASA-N 2 0 315.461 2.999 20 0 DFADRP Cc1cccc(C)c1C[N@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@H]21 ZINC000342928049 272066897 /nfs/dbraw/zinc/06/68/97/272066897.db2.gz PMNWLHRIMBMBTJ-QXAKKESOSA-N 2 0 302.462 2.987 20 0 DFADRP CC[NH+](CC)[C@H](CN[C@H]1C[N@H+](CC)C[C@@H]1C)c1ccccc1 ZINC000342944179 272069753 /nfs/dbraw/zinc/06/97/53/272069753.db2.gz IUXKXQYJGLBNMH-YTQUADARSA-N 2 0 303.494 2.999 20 0 DFADRP Cc1nn(Cc2ccccc2)c(C)c1C[NH2+][C@@H]1CN(C)C[C@@H]1C ZINC000343062213 272080759 /nfs/dbraw/zinc/08/07/59/272080759.db2.gz FHYFPXQEHQBGKR-IFXJQAMLSA-N 2 0 312.461 2.588 20 0 DFADRP C[N@@H+]1CCCN(CCC[NH2+][C@@H]2CCc3ccc(Cl)cc32)CC1 ZINC000343101792 272086063 /nfs/dbraw/zinc/08/60/63/272086063.db2.gz JFRIZPFNZPYJHR-GOSISDBHSA-N 2 0 321.896 2.945 20 0 DFADRP CC[N@H+]1C[C@H](NC2CC[NH+](CCc3ccccc3)CC2)[C@@H](C)C1 ZINC000343164547 272092123 /nfs/dbraw/zinc/09/21/23/272092123.db2.gz WHBZKXIFOXTAOJ-PXNSSMCTSA-N 2 0 315.505 2.623 20 0 DFADRP CC[N@@H+]1C[C@@H](C)[C@H](NC2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000343164549 272092353 /nfs/dbraw/zinc/09/23/53/272092353.db2.gz WHBZKXIFOXTAOJ-YLJYHZDGSA-N 2 0 315.505 2.623 20 0 DFADRP Cc1ccsc1C[NH2+]C[C@@H]1CCCN(C)[C@@H]1c1ccnn1C ZINC000343456196 272151437 /nfs/dbraw/zinc/15/14/37/272151437.db2.gz RZZCEVNTEABQPF-YOEHRIQHSA-N 2 0 318.490 2.963 20 0 DFADRP C[C@H]1CN(C)C[C@H]1[NH2+]Cc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000343473890 272156037 /nfs/dbraw/zinc/15/60/37/272156037.db2.gz MBUXFBMEJUZKDT-FUHIMQAGSA-N 2 0 315.505 2.958 20 0 DFADRP CC[C@@H](C(=O)N[C@@H](C)C[N@H+](C)Cc1ccccc1)[NH+](CC)CC ZINC000343532286 272165704 /nfs/dbraw/zinc/16/57/04/272165704.db2.gz VRWJIHRRXQOWFN-WMZOPIPTSA-N 2 0 319.493 2.744 20 0 DFADRP CCN1C[C@H](C)[C@H]([NH2+]Cc2cccc(C[NH+](CC)CC)c2)C1 ZINC000343557945 272169506 /nfs/dbraw/zinc/16/95/06/272169506.db2.gz GOESZZDYEPTGDX-QFBILLFUSA-N 2 0 303.494 2.958 20 0 DFADRP CC[N@@H+]1C[C@@H](C)[C@H](NC2CC[NH+](Cc3ccccc3C)CC2)C1 ZINC000343575532 272174857 /nfs/dbraw/zinc/17/48/57/272174857.db2.gz QTEJMYDOZXJZCA-YLJYHZDGSA-N 2 0 315.505 2.889 20 0 DFADRP CC[NH+](CC)CC1CC[NH+]([C@H](C)C(=O)NCCC(C)C)CC1 ZINC000343581799 272176769 /nfs/dbraw/zinc/17/67/69/272176769.db2.gz OUPLYZWBLLEMGW-MRXNPFEDSA-N 2 0 311.514 2.591 20 0 DFADRP CCC[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCCC[NH+]1C1CCCC1 ZINC000343641141 272190804 /nfs/dbraw/zinc/19/08/04/272190804.db2.gz NXUQHLQVBQUJLU-ROUUACIJSA-N 2 0 321.509 2.774 20 0 DFADRP CCC[NH+](CCC)CCCC(=O)N1C[C@@H]2CCCC[N@@H+]2C[C@@H]1C ZINC000343676420 272199214 /nfs/dbraw/zinc/19/92/14/272199214.db2.gz TXERJIWOIMJLDG-ROUUACIJSA-N 2 0 323.525 2.974 20 0 DFADRP Cc1ccc(NC(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)c(C[NH+](C)C)c1 ZINC000343684732 272201067 /nfs/dbraw/zinc/20/10/67/272201067.db2.gz UJAYBKGFHCPJDM-GJZGRUSLSA-N 2 0 303.450 2.868 20 0 DFADRP C[N@H+](C[C@@H](O)C(C)(C)C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000343723945 272208642 /nfs/dbraw/zinc/20/86/42/272208642.db2.gz YAZPTEMXKLAYGY-QGZVFWFLSA-N 2 0 305.466 2.637 20 0 DFADRP CCO[C@H]1C[C@H]([NH2+]CCC[N@H+](C)CCOC)C12CCCCC2 ZINC000344029249 272251411 /nfs/dbraw/zinc/25/14/11/272251411.db2.gz BQGQAEASCSICDR-IRXDYDNUSA-N 2 0 312.498 2.672 20 0 DFADRP CCC[N@H+](CCN1CC[NH+](CC)CC1)Cc1ccc(C)nc1C ZINC000344147227 272273277 /nfs/dbraw/zinc/27/32/77/272273277.db2.gz CUGAEBKWQJTJCH-UHFFFAOYSA-N 2 0 318.509 2.548 20 0 DFADRP Cc1ccc(NC(=O)[C@@H]2CC[N@H+](C)[C@@H](C)C2)c(C[NH+](C)C)c1 ZINC000344208302 272287132 /nfs/dbraw/zinc/28/71/32/272287132.db2.gz UHIICTAKGAPMRM-LSDHHAIUSA-N 2 0 303.450 2.725 20 0 DFADRP CC[NH+]1CCC(N2CCC[N@H+](Cc3ccccc3F)CC2)CC1 ZINC000344267096 272300790 /nfs/dbraw/zinc/30/07/90/272300790.db2.gz ITGCXMRQLYHFFM-UHFFFAOYSA-N 2 0 319.468 2.818 20 0 DFADRP C[C@H]1[C@@H]([NH2+]Cc2ccc(Oc3cnccn3)cc2)CCCN1C ZINC000344318573 272311148 /nfs/dbraw/zinc/31/11/48/272311148.db2.gz AZENDRVUSHQSBT-YOEHRIQHSA-N 2 0 312.417 2.841 20 0 DFADRP CCN1C[C@H]([NH2+][C@@H]2CCCN(c3cccc(OC)c3)C2)[C@@H](C)C1 ZINC000344368459 272322118 /nfs/dbraw/zinc/32/21/18/272322118.db2.gz CBJUJGXXNMNGIP-FCEWJHQRSA-N 2 0 317.477 2.594 20 0 DFADRP CC[C@H](C(=O)NCCCC[N@@H+]1CCC[C@@H](C)C1)[NH+](CC)CC ZINC000344518767 272333211 /nfs/dbraw/zinc/33/32/11/272333211.db2.gz BXWXQXKBGMESPW-IAGOWNOFSA-N 2 0 311.514 2.735 20 0 DFADRP CC[C@H]([NH2+]Cc1ccc(OCCC[NH+](C)C)cc1)[C@@H]1CCOC1 ZINC000344607533 272347218 /nfs/dbraw/zinc/34/72/18/272347218.db2.gz OGEODYAZLFIAJI-MJGOQNOKSA-N 2 0 320.477 2.922 20 0 DFADRP CC[NH+]1CCN(CCC[NH2+]Cc2cc(C)cc(Cl)c2)CC1 ZINC000339181814 427721476 /nfs/dbraw/zinc/72/14/76/427721476.db2.gz GJUJYQKZUJNJSA-UHFFFAOYSA-N 2 0 309.885 2.766 20 0 DFADRP CC[N@@H+]1C[C@H](C)[C@H](N[C@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)C1 ZINC000344832619 272375643 /nfs/dbraw/zinc/37/56/43/272375643.db2.gz PBULRGKNMKFJFO-KVPLUYHFSA-N 2 0 315.505 2.969 20 0 DFADRP C[C@@H](CCO)C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000272283092 427696154 /nfs/dbraw/zinc/69/61/54/427696154.db2.gz AMLOFAQGUZGXGR-KANFNMMFSA-N 2 0 302.462 2.790 20 0 DFADRP Cc1ccccc1-n1nccc1C[N@H+](C)CC1CC[NH+](C)CC1 ZINC000279546540 427700010 /nfs/dbraw/zinc/70/00/10/427700010.db2.gz DDUHCQPMIYQMNN-UHFFFAOYSA-N 2 0 312.461 2.954 20 0 DFADRP CC(C)[N@H+](C)CCCNCc1ccccc1N1CCO[C@H](C)C1 ZINC000298780995 427703387 /nfs/dbraw/zinc/70/33/87/427703387.db2.gz MODUOMXMANJEHA-QGZVFWFLSA-N 2 0 319.493 2.732 20 0 DFADRP CC[C@@H](C(=O)NC1CC[NH+](CC2CCCC2)CC1)[NH+](CC)CC ZINC000345206717 272429744 /nfs/dbraw/zinc/42/97/44/272429744.db2.gz JBPJPCJWAFXFHX-SFHVURJKSA-N 2 0 323.525 2.878 20 0 DFADRP CC(C)Oc1ccc(C[NH2+][C@@H](C)CCN2CC[NH+](C)CC2)cc1 ZINC000185871661 427723900 /nfs/dbraw/zinc/72/39/00/427723900.db2.gz UVCZTPXNQWKXKN-KRWDZBQOSA-N 2 0 319.493 2.589 20 0 DFADRP C[NH+]1CCN(CCC[NH2+]C2CC(c3ccccc3Cl)C2)CC1 ZINC000336850271 427758518 /nfs/dbraw/zinc/75/85/18/427758518.db2.gz QLMCBNFYYFKNNG-UHFFFAOYSA-N 2 0 321.896 2.813 20 0 DFADRP Cc1c(C[NH+]2CCC(CCC[NH+]3CCCC3)CC2)cnn1C ZINC000336856905 427762242 /nfs/dbraw/zinc/76/22/42/427762242.db2.gz OZBRMSBSPSMYMC-UHFFFAOYSA-N 2 0 304.482 2.817 20 0 DFADRP Cc1cc(Cl)cc(C[NH2+]CCN2CC[N@@H+](C)C(C)(C)C2)c1 ZINC000339387522 427765628 /nfs/dbraw/zinc/76/56/28/427765628.db2.gz KPPYKGBRIWKTOZ-UHFFFAOYSA-N 2 0 309.885 2.764 20 0 DFADRP Cc1ccc(CCC[N@H+]2C[C@@H](c3ccccc3)[C@@H](C[NH3+])C2)cn1 ZINC000339406875 427768842 /nfs/dbraw/zinc/76/88/42/427768842.db2.gz GZVHKZMOQWSACR-PMACEKPBSA-N 2 0 309.457 2.997 20 0 DFADRP CCN(CCCNC(=O)c1ccc2c(c1)C[NH2+]C2)c1ccccc1 ZINC000336882049 427770600 /nfs/dbraw/zinc/77/06/00/427770600.db2.gz VRWZLNOIKPYOTB-UHFFFAOYSA-N 2 0 323.440 2.936 20 0 DFADRP COc1ccc(C[N@H+](C[C@@H]2CCC[NH2+]C2)[C@@H](CO)C(C)C)cc1 ZINC000339431725 427773855 /nfs/dbraw/zinc/77/38/55/427773855.db2.gz UUFWGADDRNARKK-MJGOQNOKSA-N 2 0 320.477 2.514 20 0 DFADRP COC(=O)c1oc([C@H](C)N2CC[C@@]3(C2)CCC[N@H+](C)C3)cc1C ZINC000339433058 427774146 /nfs/dbraw/zinc/77/41/46/427774146.db2.gz IYDWVELPQLQBJO-KSSFIOAISA-N 2 0 320.433 2.853 20 0 DFADRP CCOc1ccc(C[NH2+]C(C)(C)CCN2CC[NH+](C)CC2)cc1 ZINC000185893028 427724380 /nfs/dbraw/zinc/72/43/80/427724380.db2.gz ZCAXZNUCGPEBLE-UHFFFAOYSA-N 2 0 319.493 2.591 20 0 DFADRP COc1cc2[nH+]ccc(N3C[C@H](C)[C@H]([NH+](C)C)C3)c2cc1OC ZINC000299029086 427741388 /nfs/dbraw/zinc/74/13/88/427741388.db2.gz TUTQDZHTWROJQG-BLLLJJGKSA-N 2 0 315.417 2.638 20 0 DFADRP COc1cc2[nH+]ccc(N3C[C@@H](C)[C@@H]([NH+](C)C)C3)c2cc1OC ZINC000299029096 427741879 /nfs/dbraw/zinc/74/18/79/427741879.db2.gz TUTQDZHTWROJQG-WBMJQRKESA-N 2 0 315.417 2.638 20 0 DFADRP CN(CC[NH+]1CCCCC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000336723941 427750966 /nfs/dbraw/zinc/75/09/66/427750966.db2.gz WUPFTHYFSAOJLY-IBGZPJMESA-N 2 0 301.478 2.679 20 0 DFADRP CC[C@@H]1C[C@H](C[NH2+]CCCC[NH+]2C[C@@H](C)O[C@H](C)C2)CCO1 ZINC000355675759 427844572 /nfs/dbraw/zinc/84/45/72/427844572.db2.gz WANNRHCLHMVYMG-BRSBDYLESA-N 2 0 312.498 2.671 20 0 DFADRP CC[NH+](CC)CCOCC[NH2+][C@H](C)c1ccc(F)c(F)c1 ZINC000349696345 427845224 /nfs/dbraw/zinc/84/52/24/427845224.db2.gz UOFFAHQTLXQLFG-CYBMUJFWSA-N 2 0 300.393 2.974 20 0 DFADRP Cc1[nH+]ccc(N2CC[N@H+](C3CCOCC3)C[C@@H]2C)c1Cl ZINC000355678519 427845523 /nfs/dbraw/zinc/84/55/23/427845523.db2.gz FDARLTAQBWLXOI-LBPRGKRZSA-N 2 0 309.841 2.733 20 0 DFADRP C[C@H]([NH2+]CCCC[N@H+]1C[C@H](C)C[C@H](C)C1)C(C)(C)n1cncn1 ZINC000340469548 427856834 /nfs/dbraw/zinc/85/68/34/427856834.db2.gz KQPQZFXFOMWJNX-BBWFWOEESA-N 2 0 321.513 2.749 20 0 DFADRP CCN(CC[NH+]1CCCCCC1)C(=O)[C@H](C1CC1)[NH+]1CCCC1 ZINC000346302513 272616785 /nfs/dbraw/zinc/61/67/85/272616785.db2.gz DLXOULZHGTUDSJ-SFHVURJKSA-N 2 0 321.509 2.585 20 0 DFADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)C[C@@H](C)C(C)C ZINC000340515006 427870373 /nfs/dbraw/zinc/87/03/73/427870373.db2.gz LIKZRRGGANXQKJ-SJORKVTESA-N 2 0 311.514 2.543 20 0 DFADRP C[C@H]1CCC[C@@H]([NH2+]CCN2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000302795925 427873506 /nfs/dbraw/zinc/87/35/06/427873506.db2.gz IPVSAGSLWMRAMD-AZUAARDMSA-N 2 0 315.505 2.973 20 0 DFADRP COC(C)(C)[C@H](C)[NH2+]Cc1ccccc1C[NH+]1CCC(O)CC1 ZINC000340537555 427875044 /nfs/dbraw/zinc/87/50/44/427875044.db2.gz UYGJRNYBNVYESE-HNNXBMFYSA-N 2 0 320.477 2.546 20 0 DFADRP CC(C)[C@@H](C(=O)N(C)CC[C@H]1CCCC[N@@H+]1C)[NH+]1CCCCC1 ZINC000359519175 427887366 /nfs/dbraw/zinc/88/73/66/427887366.db2.gz RDSOECUCXBNBHO-MSOLQXFVSA-N 2 0 323.525 2.830 20 0 DFADRP C[N@@H+]1CCC[C@@H]1CC[NH+]1CCC[C@@H](c2ncc3n2CCCC3)C1 ZINC000337427251 427900755 /nfs/dbraw/zinc/90/07/55/427900755.db2.gz BRGSXZXXVFLDGX-IAGOWNOFSA-N 2 0 316.493 2.883 20 0 DFADRP CC[C@H](C(=O)NCCC[N@H+]1C[C@H](C)C[C@H](C)C1)[NH+](CC)CC ZINC000345783145 427903232 /nfs/dbraw/zinc/90/32/32/427903232.db2.gz JPGYRZOYSCAWLH-IXDOHACOSA-N 2 0 311.514 2.591 20 0 DFADRP Cc1cccc(NC(=O)[C@@H](C)N(C)C[C@H]2CCC[N@H+](C)C2)c1 ZINC000345785068 427903863 /nfs/dbraw/zinc/90/38/63/427903863.db2.gz XJGGWQGYHUIQHX-CVEARBPZSA-N 2 0 303.450 2.596 20 0 DFADRP Cc1cc(F)ccc1C[N@@H+](C)CCCN1CC[NH+](C(C)C)CC1 ZINC000337463843 427919079 /nfs/dbraw/zinc/91/90/79/427919079.db2.gz LQEWQCCYRBMABI-UHFFFAOYSA-N 2 0 321.484 2.982 20 0 DFADRP C[C@@H]1CCC[N@H+](CCCCNC(=O)[C@@H]2CCCC[C@]2(C)[NH3+])C1 ZINC000345823310 427920161 /nfs/dbraw/zinc/92/01/61/427920161.db2.gz VFFPZMCHLBEOHP-RYRKJORJSA-N 2 0 309.498 2.522 20 0 DFADRP COCC[C@@H]1CCC[C@@H]1[NH2+]CCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000337469990 427920751 /nfs/dbraw/zinc/92/07/51/427920751.db2.gz NEEIEGLOBKNXAR-MHORFTMASA-N 2 0 312.498 2.671 20 0 DFADRP Cc1nccnc1CC[NH2+]C1CC[NH+]([C@@H]2CCCC[C@H]2C)CC1 ZINC000340488547 427860349 /nfs/dbraw/zinc/86/03/49/427860349.db2.gz BVBQDOYGDOMXKA-DNVCBOLYSA-N 2 0 316.493 2.960 20 0 DFADRP C[C@@H]1[C@@H]([NH2+]C[C@@](C)(O)C2CC2)CCCN1Cc1ccccc1 ZINC000340234945 427961550 /nfs/dbraw/zinc/96/15/50/427961550.db2.gz HBROWXXYMMZUKL-AYOQOUSVSA-N 2 0 302.462 2.790 20 0 DFADRP NC(=O)[C@@H]1CCC[N@H+](CCC[NH2+][C@H]2CCCCC23CCCC3)C1 ZINC000340228246 427961596 /nfs/dbraw/zinc/96/15/96/427961596.db2.gz JTZORCRZLCOAMO-SJORKVTESA-N 2 0 321.509 2.666 20 0 DFADRP C[C@@H](CCCC(F)(F)F)[NH2+]C[C@H](O)C[NH+]1CCC(C)CC1 ZINC000359662779 427962200 /nfs/dbraw/zinc/96/22/00/427962200.db2.gz LAKOPHWZCLKZOH-KBPBESRZSA-N 2 0 310.404 2.790 20 0 DFADRP C[C@H](C[NH2+][C@@H](C)CCCC(F)(F)F)CN1CC[NH+](C)CC1 ZINC000359662335 427962392 /nfs/dbraw/zinc/96/23/92/427962392.db2.gz JQKTVZOKNNSELL-KGLIPLIRSA-N 2 0 309.420 2.581 20 0 DFADRP C[C@H](CCCC(F)(F)F)[NH2+]C[C@H](O)C[NH+]1CCC(C)CC1 ZINC000359662780 427962898 /nfs/dbraw/zinc/96/28/98/427962898.db2.gz LAKOPHWZCLKZOH-KGLIPLIRSA-N 2 0 310.404 2.790 20 0 DFADRP CC[C@H](C(=O)N1CC[NH+](C2CCC(C)CC2)CC1)[NH+](CC)CC ZINC000345983063 427975075 /nfs/dbraw/zinc/97/50/75/427975075.db2.gz XELVMZFWWLYUKM-DAWZGUTISA-N 2 0 323.525 2.830 20 0 DFADRP c1nc([C@@H]2CCCO2)sc1C[NH+]1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000347120293 272730209 /nfs/dbraw/zinc/73/02/09/272730209.db2.gz VQNUUMYEKVRFSK-CVEARBPZSA-N 2 0 321.490 2.959 20 0 DFADRP Cc1nc2c(c(N3CC[C@@H](C[N@H+](C)CC4CC4)C3)n1)CCCC2 ZINC000359729210 427991755 /nfs/dbraw/zinc/99/17/55/427991755.db2.gz DTPUFSWOXVWLPW-INIZCTEOSA-N 2 0 314.477 2.832 20 0 DFADRP C[NH+](C)CCC1CC[NH+]([C@@H]2CCCN(CC(C)(C)C)C2=O)CC1 ZINC000359614379 427936015 /nfs/dbraw/zinc/93/60/15/427936015.db2.gz VAPVAEHFCGJXIW-QGZVFWFLSA-N 2 0 323.525 2.687 20 0 DFADRP CC[N@@H+]1C[C@H](C)N(C(=O)Nc2cccc(C[NH+](C)C)c2)C[C@H]1C ZINC000345874539 427936314 /nfs/dbraw/zinc/93/63/14/427936314.db2.gz LFKOWTCGGONKIH-CABCVRRESA-N 2 0 318.465 2.695 20 0 DFADRP c1ccc(C[N@@H+]2CC[C@H](N3CC[C@H](Oc4ccncc4)C3)C2)cc1 ZINC000355903957 427940768 /nfs/dbraw/zinc/94/07/68/427940768.db2.gz INNRBVSJCGXWFO-ICSRJNTNSA-N 2 0 323.440 2.809 20 0 DFADRP CCC[C@H]([NH2+]C(C)C)C(=O)N[C@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000355915539 427946068 /nfs/dbraw/zinc/94/60/68/427946068.db2.gz HWXZKPTYNZWUNY-RYRKJORJSA-N 2 0 323.525 2.922 20 0 DFADRP CCO[C@@H]1C[C@H]([NH2+]CCCC[NH+](C)C)[C@H]1Oc1ccccc1 ZINC000359645426 427951781 /nfs/dbraw/zinc/95/17/81/427951781.db2.gz XDWBFNFMWUWMME-RCCFBDPRSA-N 2 0 306.450 2.543 20 0 DFADRP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+](C)C[C@H]1CCCCO1 ZINC000346131322 428030767 /nfs/dbraw/zinc/03/07/67/428030767.db2.gz ARMFWMGRCCOOLJ-QGZVFWFLSA-N 2 0 300.406 2.577 20 0 DFADRP C[C@H](O)C[N@H+](C)C1CC[NH+]([C@@H](C)CCc2cccc(F)c2)CC1 ZINC000341332798 428032965 /nfs/dbraw/zinc/03/29/65/428032965.db2.gz WQWQQQFGEFSQTB-HOTGVXAUSA-N 2 0 322.468 2.924 20 0 DFADRP CC[NH+](CC)CCOC1CC[NH+](CC[C@@H]2CCCCO2)CC1 ZINC000347496616 272796537 /nfs/dbraw/zinc/79/65/37/272796537.db2.gz ZSNPAJFDSBOFLQ-KRWDZBQOSA-N 2 0 312.498 2.768 20 0 DFADRP Cc1ccc2ncc(C[N@H+]3CCCC4(CC[NH+](C)CC4)C3)n2c1 ZINC000369720502 428044386 /nfs/dbraw/zinc/04/43/86/428044386.db2.gz ISGSGDAKPAELCP-UHFFFAOYSA-N 2 0 312.461 2.951 20 0 DFADRP CC[C@H](C(=O)N1CC[N@H+](C)CC12CCCCC2)[NH+](CC)CC ZINC000359861973 428051312 /nfs/dbraw/zinc/05/13/12/428051312.db2.gz UBMZJHVEWMSNAF-MRXNPFEDSA-N 2 0 309.498 2.584 20 0 DFADRP C[C@@H]1C[C@H](CC[NH2+][C@@H]2CC[N@H+](C[C@@H]3CCCO3)C[C@H]2C)CCO1 ZINC000359864197 428051649 /nfs/dbraw/zinc/05/16/49/428051649.db2.gz AUYVWWHSBBVSTB-IEWDOMPSSA-N 2 0 324.509 2.671 20 0 DFADRP C[C@H]([NH2+][C@H]1CCO[C@H]1C1CC1)c1cccc(OCC[NH+](C)C)c1 ZINC000359876568 428058466 /nfs/dbraw/zinc/05/84/66/428058466.db2.gz OOISVLNURQOEGA-JVPBZIDWSA-N 2 0 318.461 2.845 20 0 DFADRP CCC[N@H+](CC)C[C@H](C)NC(=O)[C@H]1CC[NH+](C2CCCCC2)C1 ZINC000359741040 427996729 /nfs/dbraw/zinc/99/67/29/427996729.db2.gz BWNNHURVPWFWGC-IRXDYDNUSA-N 2 0 323.525 2.878 20 0 DFADRP C[C@H]1[C@@H]([NH2+]CC2(CCO)CC2)CCCN1Cc1ccccc1 ZINC000340358339 427997850 /nfs/dbraw/zinc/99/78/50/427997850.db2.gz NMYSXLOTLZQAFN-WMZOPIPTSA-N 2 0 302.462 2.792 20 0 DFADRP C[C@@H]([NH2+]C[C@]1(O)CCN(C)C1)c1ccc(F)c2ccccc21 ZINC000340357739 427998633 /nfs/dbraw/zinc/99/86/33/427998633.db2.gz IDUSFJLXWHYDPE-FZKQIMNGSA-N 2 0 302.393 2.696 20 0 DFADRP OC[C@@H](C[NH2+]C1CC[NH+](C2CCCCC2)CC1)c1cccnc1 ZINC000376798622 428002789 /nfs/dbraw/zinc/00/27/89/428002789.db2.gz IBFRZYSHGXVVSB-QGZVFWFLSA-N 2 0 317.477 2.544 20 0 DFADRP CC(C)[C@@H](C(=O)N1CC[C@H]([NH+]2CCCCC2)C1)[NH+]1CCCCC1 ZINC000341188183 428005943 /nfs/dbraw/zinc/00/59/43/428005943.db2.gz LLJPWQMOFIHSRS-ROUUACIJSA-N 2 0 321.509 2.584 20 0 DFADRP CCC(C)(C)[NH2+][C@H](C)C(=O)NCCCCC[NH+]1CCCCC1 ZINC000356094113 428018315 /nfs/dbraw/zinc/01/83/15/428018315.db2.gz PRYDTXUGVWILMA-MRXNPFEDSA-N 2 0 311.514 2.926 20 0 DFADRP Cc1cc(N(C)C[C@@H]2C[C@H](F)CN2Cc2nccs2)cc[nH+]1 ZINC000377144033 428069455 /nfs/dbraw/zinc/06/94/55/428069455.db2.gz XLHGXHIVSTVDKE-ZFWWWQNUSA-N 2 0 320.437 2.895 20 0 DFADRP COC1CCC([NH2+]C2CCN(Cc3ccccn3)CC2)CC1 ZINC000346210545 428070391 /nfs/dbraw/zinc/07/03/91/428070391.db2.gz RJTKGUXIVKUBRZ-UHFFFAOYSA-N 2 0 303.450 2.593 20 0 DFADRP CC[NH+](CC)CCN(CC(C)C)C(=O)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000346213126 428073335 /nfs/dbraw/zinc/07/33/35/428073335.db2.gz JADOCCWFCPCIPQ-SJORKVTESA-N 2 0 311.514 2.543 20 0 DFADRP CCCCNC(=O)CC[N@@H+]1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000341536047 428094953 /nfs/dbraw/zinc/09/49/53/428094953.db2.gz TYPMQORRCYXXEZ-GOSISDBHSA-N 2 0 323.525 2.737 20 0 DFADRP C[NH+]1CCC(CCO)(NCc2cccc(Cl)c2Cl)CC1 ZINC000351505116 428096665 /nfs/dbraw/zinc/09/66/65/428096665.db2.gz ZQGIHDICYQMVRK-UHFFFAOYSA-N 2 0 317.260 2.930 20 0 DFADRP COCCSCCC[N@@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000370010170 428109653 /nfs/dbraw/zinc/10/96/53/428109653.db2.gz RWXKCEMXSZODLG-UHFFFAOYSA-N 2 0 300.512 2.564 20 0 DFADRP C[C@H]([NH3+])[C@H]1CC[N@H+](Cc2ccc(OCC(F)(F)F)cc2)C1 ZINC000351853927 428112103 /nfs/dbraw/zinc/11/21/03/428112103.db2.gz PRKPBSFVDZVJOD-AAEUAGOBSA-N 2 0 302.340 2.797 20 0 DFADRP CCN1CCC[C@H]1C[NH2+][C@@H]1CCN(C(C)=O)Cc2ccccc21 ZINC000360023333 428119382 /nfs/dbraw/zinc/11/93/82/428119382.db2.gz YTTSEXPVZSNEGY-PKOBYXMFSA-N 2 0 315.461 2.554 20 0 DFADRP O[C@@H](C[NH2+]C1CC(c2cc(F)cc(F)c2)C1)C[NH+]1CCCCC1 ZINC000377397471 428120446 /nfs/dbraw/zinc/12/04/46/428120446.db2.gz KVFAKWNZGCJECI-UYJHFMRCSA-N 2 0 324.415 2.647 20 0 DFADRP CC[N@@H+]1CC[C@H](N(C)C(=O)[C@H](C)[NH+]2[C@H](C)CC[C@@H]2C)C[C@H]1C ZINC000413498443 428062963 /nfs/dbraw/zinc/06/29/63/428062963.db2.gz MQSHEVLJXJAPET-ALYAQQCSSA-N 2 0 309.498 2.579 20 0 DFADRP C[N@@H+]1CC[C@H](NCc2cc(COC(C)(C)C)on2)[C@@H]2CCC[C@@H]21 ZINC000377128795 428064676 /nfs/dbraw/zinc/06/46/76/428064676.db2.gz PHYHLWAHXSQVBL-ULQDDVLXSA-N 2 0 321.465 2.952 20 0 DFADRP CN(Cc1ccc(OCC(F)(F)F)cc1)[C@@H](C[NH3+])C1CC1 ZINC000359896981 428066943 /nfs/dbraw/zinc/06/69/43/428066943.db2.gz KDNBDCLSGLNUMU-AWEZNQCLSA-N 2 0 302.340 2.797 20 0 DFADRP CC[N@@H+]1CC[C@H](N(C)C(=O)[C@H](C)[NH+]2CCCCCC2)C[C@@H]1C ZINC000346346626 428136357 /nfs/dbraw/zinc/13/63/57/428136357.db2.gz XHYPTOSUIVEJBK-ULQDDVLXSA-N 2 0 309.498 2.582 20 0 DFADRP C[N@@H+]1CC[C@@H](CNC(=[NH2+])N2CCCCC2)[C@@H]1c1cccs1 ZINC000370160084 428145621 /nfs/dbraw/zinc/14/56/21/428145621.db2.gz FNLRGJMJXBCGQC-DZGCQCFKSA-N 2 0 306.479 2.751 20 0 DFADRP C[C@H]([NH2+]CCCN1CC[NH+](Cc2ccccc2)CC1)C1(C)CC1 ZINC000360071289 428146520 /nfs/dbraw/zinc/14/65/20/428146520.db2.gz JQFPKINSSBLIJC-SFHVURJKSA-N 2 0 315.505 2.973 20 0 DFADRP CC(C)CCNC(=[NH2+])NC[C@@H]1CC[N@H+](C)[C@H]1c1cccs1 ZINC000370160092 428147547 /nfs/dbraw/zinc/14/75/47/428147547.db2.gz FODIYWQVMLDTER-DZGCQCFKSA-N 2 0 308.495 2.901 20 0 DFADRP CC(C)[C@H](CSc1ccccc1)[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000352558280 428148858 /nfs/dbraw/zinc/14/88/58/428148858.db2.gz VXFLLGHOYQKRPI-WMZOPIPTSA-N 2 0 322.518 2.850 20 0 DFADRP C[C@H](O)c1ncc(CN2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)s1 ZINC000377549235 428155100 /nfs/dbraw/zinc/15/51/00/428155100.db2.gz KHHJETZCLOSMHX-XEZPLFJOSA-N 2 0 321.490 2.645 20 0 DFADRP Cc1cccc2ncc(C[NH+]3CCC(CC[NH+](C)C)CC3)n21 ZINC000352654047 428184631 /nfs/dbraw/zinc/18/46/31/428184631.db2.gz HBDQNASUTFAFMZ-UHFFFAOYSA-N 2 0 300.450 2.806 20 0 DFADRP CC[N@@H+]1C[C@H](C)N(CC[NH+](C)Cc2ccc(F)cc2)C[C@H]1C ZINC000360114626 428168617 /nfs/dbraw/zinc/16/86/17/428168617.db2.gz HZLXISVFZOWYGK-CVEARBPZSA-N 2 0 307.457 2.672 20 0 DFADRP CC(C)[NH+]1CCC(C(=O)Nc2ccc(CC[NH+](C)C)cc2)CC1 ZINC000360112523 428169118 /nfs/dbraw/zinc/16/91/18/428169118.db2.gz YPYBGNPUUPLQSZ-UHFFFAOYSA-N 2 0 317.477 2.850 20 0 DFADRP CC(C)[NH+]1CCN([C@@H]2CC[N@H+](CCSC(C)(C)C)C2)CC1 ZINC000370284691 428174574 /nfs/dbraw/zinc/17/45/74/428174574.db2.gz FXFUURCPMQKOCP-MRXNPFEDSA-N 2 0 313.555 2.618 20 0 DFADRP c1nc([C@H]2CCC[N@@H+](CC3CCOCC3)C2)n2c1CCCC2 ZINC000370307313 428179718 /nfs/dbraw/zinc/17/97/18/428179718.db2.gz ZHELNLHEGMQGRH-INIZCTEOSA-N 2 0 303.450 2.825 20 0 DFADRP CC[C@H]([NH2+]Cc1ccccc1C[N@@H+]1CC[C@H](O)C1)[C@H]1C[C@@H]1C ZINC000414105362 428209632 /nfs/dbraw/zinc/20/96/32/428209632.db2.gz GPYGQUFAKRPGJP-QZHFEQFPSA-N 2 0 302.462 2.777 20 0 DFADRP Cn1cnc(CC[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)c1 ZINC000414131299 428214974 /nfs/dbraw/zinc/21/49/74/428214974.db2.gz YYHPHFFDQSSRGT-OWZKRDHZSA-N 2 0 324.472 2.748 20 0 DFADRP C[C@@H](O)C[N@@H+]1CC(C)(C)[C@@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000414140129 428217881 /nfs/dbraw/zinc/21/78/81/428217881.db2.gz IUPLBFFCHPWLNZ-APWZRJJASA-N 2 0 316.489 2.990 20 0 DFADRP COc1ccc(C[C@H](C)[NH2+]C2CC([NH+]3CCCCC3)C2)cn1 ZINC000414152519 428218697 /nfs/dbraw/zinc/21/86/97/428218697.db2.gz QJMFWJAOSLYTDY-OOHWJJMZSA-N 2 0 303.450 2.628 20 0 DFADRP C[C@H]([NH2+]C[C@H]1CC[N@H+](CCc2ccccc2)C1)[C@@H]1CCCO1 ZINC000346565404 428219562 /nfs/dbraw/zinc/21/95/62/428219562.db2.gz SGONGXINHZEMJZ-UHOSZYNNSA-N 2 0 302.462 2.708 20 0 DFADRP CCC(C)(C)[NH2+][C@H](C)C(=O)N[C@@H](C)C[N@H+](C)Cc1ccccc1 ZINC000356528277 428219994 /nfs/dbraw/zinc/21/99/94/428219994.db2.gz BIZQMTNAVUXEAX-JKSUJKDBSA-N 2 0 319.493 2.790 20 0 DFADRP CCCC[N@H+](C)CC1CCN(C(=O)[C@@H]2CC[NH2+][C@@H]2C(C)C)CC1 ZINC000377763272 428222675 /nfs/dbraw/zinc/22/26/75/428222675.db2.gz VMEPTZNSTAILQH-QZTJIDSGSA-N 2 0 323.525 2.591 20 0 DFADRP C[N@@H+]1CCCC[C@@H]1CC[NH+]1CCC[C@@H](C(=O)N2CCCCC2)C1 ZINC000370488016 428223565 /nfs/dbraw/zinc/22/35/65/428223565.db2.gz KFMAWNJSOSNOCN-QZTJIDSGSA-N 2 0 321.509 2.585 20 0 DFADRP C[C@@H]([NH2+]CC[C@H]1CCC[N@H+](C)C1)c1ccc(C(=O)N(C)C)cc1 ZINC000414180672 428227949 /nfs/dbraw/zinc/22/79/49/428227949.db2.gz LQSRKRPAJMBMNA-HZPDHXFCSA-N 2 0 317.477 2.771 20 0 DFADRP CCOC1CC(O)(C[NH2+]C2CC[NH+]([C@H]3CCCC[C@@H]3C)CC2)C1 ZINC000370526108 428230201 /nfs/dbraw/zinc/23/02/01/428230201.db2.gz IMUQCFNYOQVIAW-BARLLCKDSA-N 2 0 324.509 2.549 20 0 DFADRP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCc1cnccn1 ZINC000370366166 428194202 /nfs/dbraw/zinc/19/42/02/428194202.db2.gz OJOGKOMTOLJHAU-LPHOPBHVSA-N 2 0 310.445 2.519 20 0 DFADRP Cc1ccc(C[N@H+]2CCCC[C@@H](N3CCN(C)CC3)C2)s1 ZINC000377698358 428198482 /nfs/dbraw/zinc/19/84/82/428198482.db2.gz MLHZRCKZAULVDX-MRXNPFEDSA-N 2 0 307.507 2.658 20 0 DFADRP COc1ccc(C[C@H](C)[NH2+]C[C@H](C)C[NH+]2CCCCC2)cn1 ZINC000414074789 428198385 /nfs/dbraw/zinc/19/83/85/428198385.db2.gz OOJSFZLLLUAAJN-HOTGVXAUSA-N 2 0 305.466 2.733 20 0 DFADRP COc1ccc([C@@H](C)[NH2+]C2CCN(CC[NH+](C)C)CC2)c(C)c1 ZINC000414073979 428198652 /nfs/dbraw/zinc/19/86/52/428198652.db2.gz WJMQMCCPJOASPG-MRXNPFEDSA-N 2 0 319.493 2.680 20 0 DFADRP C[C@@H]1CN(C2CC2)C[C@@H]1[NH2+][C@@H](CN1CCCC1)c1ccccc1 ZINC000352684551 428203649 /nfs/dbraw/zinc/20/36/49/428203649.db2.gz ORSDYPMQPBEESB-UXPWSPDFSA-N 2 0 313.489 2.896 20 0 DFADRP OC1(C[N@@H+]2CC[C@@]3(CC[NH+](Cc4ccccc4)C3)C2)CCCC1 ZINC000352828715 428269474 /nfs/dbraw/zinc/26/94/74/428269474.db2.gz ZBFSOLOOPTWVQU-LJQANCHMSA-N 2 0 314.473 2.890 20 0 DFADRP COc1cc(C)cc2c1OCC[C@@H]2N[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000370679671 428272624 /nfs/dbraw/zinc/27/26/24/428272624.db2.gz WDJDLYBCPXVNBM-DZKIICNBSA-N 2 0 304.434 2.900 20 0 DFADRP CC1=C[C@H](C)C[C@H](C[NH2+]C2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)C1 ZINC000352836908 428273401 /nfs/dbraw/zinc/27/34/01/428273401.db2.gz KWPRKYLCCKMMJV-WQCNXYOZSA-N 2 0 306.494 2.946 20 0 DFADRP CN1CCC([NH+]2CCC(CC[NH2+]Cc3ccccc3)CC2)CC1 ZINC000377979333 428275481 /nfs/dbraw/zinc/27/54/81/428275481.db2.gz SBRLDQCETVHQCJ-UHFFFAOYSA-N 2 0 315.505 2.973 20 0 DFADRP C[C@@H]1C[C@H](C[NH3+])C[N@@H+]1Cc1ccccc1OCC(F)(F)F ZINC000346693396 428275763 /nfs/dbraw/zinc/27/57/63/428275763.db2.gz MVLHNWMAFYZWQQ-VXGBXAGGSA-N 2 0 302.340 2.797 20 0 DFADRP CCc1ncc(CN(C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)cn1 ZINC000414389715 428282064 /nfs/dbraw/zinc/28/20/64/428282064.db2.gz SIGWXWFLGYNUMU-GOSISDBHSA-N 2 0 324.472 2.993 20 0 DFADRP CC[N@@H+]1CCC[C@H](C[NH2+]Cc2ccc(COCCOC)cc2)C1 ZINC000342028922 428282935 /nfs/dbraw/zinc/28/29/35/428282935.db2.gz SEMXUQLROPCQBS-LJQANCHMSA-N 2 0 320.477 2.671 20 0 DFADRP CC1CCC([NH+]2CCC(N(C)C(=O)CC(C)(C)[NH3+])CC2)CC1 ZINC000370766514 428293518 /nfs/dbraw/zinc/29/35/18/428293518.db2.gz MXQDTAOCYAQAOK-UHFFFAOYSA-N 2 0 309.498 2.615 20 0 DFADRP CC(C)n1cc(C[NH2+]CCCC[NH+]2C[C@@H](C)C[C@H](C)C2)nn1 ZINC000342092105 428296154 /nfs/dbraw/zinc/29/61/54/428296154.db2.gz WBELFBBJPASZCI-HOTGVXAUSA-N 2 0 307.486 2.707 20 0 DFADRP [NH3+]C1(C[NH2+]CCC(=O)Nc2cc(Cl)ccc2Cl)CCC1 ZINC000342094204 428297020 /nfs/dbraw/zinc/29/70/20/428297020.db2.gz FAMMXQVUPFYDNS-UHFFFAOYSA-N 2 0 316.232 2.793 20 0 DFADRP C[C@@H]1C[N@H+](C[C@H]2CCCO2)CC[C@@H]1[NH2+]CCc1cccs1 ZINC000370577413 428244851 /nfs/dbraw/zinc/24/48/51/428244851.db2.gz GFJAXHQAUSWJJV-INMHGKMJSA-N 2 0 308.491 2.770 20 0 DFADRP CCCC[N@H+](C)C[C@@H](C)NC(=O)[C@H](C)[NH+](C)Cc1ccccc1 ZINC000356596780 428248654 /nfs/dbraw/zinc/24/86/54/428248654.db2.gz LFBWEUQHRUXRFB-SJORKVTESA-N 2 0 319.493 2.744 20 0 DFADRP CC(C)Cn1cc(C[N@@H+]2CC[C@@H](C3CC[NH+](C)CC3)C2)cn1 ZINC000377883363 428254084 /nfs/dbraw/zinc/25/40/84/428254084.db2.gz JHPBNZPKUJDJIF-GOSISDBHSA-N 2 0 304.482 2.703 20 0 DFADRP COc1c(C)cc(C[NH+]2CCC(OCCC[NH3+])CC2)cc1C ZINC000346649009 428256259 /nfs/dbraw/zinc/25/62/59/428256259.db2.gz GIFDZXOELLFYRB-UHFFFAOYSA-N 2 0 306.450 2.642 20 0 DFADRP Cn1ccnc1[C@H]1CCN(Cc2cnc(C(F)(F)F)s2)C1 ZINC000377889736 428256480 /nfs/dbraw/zinc/25/64/80/428256480.db2.gz QEVYYKINRNOYSC-VIFPVBQESA-N 2 0 316.352 2.885 20 0 DFADRP Cc1cccc(C[NH+]2CCC(C[NH+]3C[C@@H](C)O[C@H](C)C3)CC2)n1 ZINC000346654045 428259577 /nfs/dbraw/zinc/25/95/77/428259577.db2.gz YFEIWXRXEBAXBS-IAGOWNOFSA-N 2 0 317.477 2.711 20 0 DFADRP Cc1ccccc1[C@@H](C)[NH2+][C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000370638790 428259869 /nfs/dbraw/zinc/25/98/69/428259869.db2.gz ZHDXKWMPDVGZJV-IAGOWNOFSA-N 2 0 301.478 2.814 20 0 DFADRP COC(=O)[C@@]12C[N@H+](CC[C@H]3CCCC[NH+]3C)C[C@H]1CCCC2 ZINC000342135957 428316215 /nfs/dbraw/zinc/31/62/15/428316215.db2.gz UPPDMQTYMBXNQI-NUJGCVRESA-N 2 0 308.466 2.526 20 0 DFADRP COc1cc2c(c(CN3CC[C@@H]4CC[N@H+](C)C[C@@H]43)c1)O[C@@H](C)C2 ZINC000352930307 428316423 /nfs/dbraw/zinc/31/64/23/428316423.db2.gz KBRXJNCXOYXAOU-DEYYWGMASA-N 2 0 316.445 2.545 20 0 DFADRP CCC(C)(C)[NH2+][C@H](C)C(=O)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000356821712 428324893 /nfs/dbraw/zinc/32/48/93/428324893.db2.gz KVQUIMNDJYMCJA-HZPDHXFCSA-N 2 0 309.498 2.630 20 0 DFADRP CC[N@@H+]1CC[C@H]([NH2+]C2CCN(c3cccc(C)n3)CC2)[C@@H](C)C1 ZINC000378168769 428325451 /nfs/dbraw/zinc/32/54/51/428325451.db2.gz MGUJWKYBKFBHJX-YJBOKZPZSA-N 2 0 316.493 2.679 20 0 DFADRP COc1ccc(OCCC[N@@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)cc1 ZINC000342152820 428326444 /nfs/dbraw/zinc/32/64/44/428326444.db2.gz YTBLABFXXBXGIE-WBAXXEDZSA-N 2 0 304.434 2.523 20 0 DFADRP Cc1nn(Cc2ccccc2)c(C)c1C[N@@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000346816243 428328820 /nfs/dbraw/zinc/32/88/20/428328820.db2.gz CVZMMSDVJDMHNZ-IHPCNDPISA-N 2 0 324.472 2.717 20 0 DFADRP Cc1nn(Cc2ccccc2)c(C)c1C[N@@H+]1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000346816245 428329022 /nfs/dbraw/zinc/32/90/22/428329022.db2.gz CVZMMSDVJDMHNZ-SXLOBPIMSA-N 2 0 324.472 2.717 20 0 DFADRP CCC[C@H]([NH2+]C(C)C)C(=O)N1CCC[C@H]1C[NH+]1CCCCC1 ZINC000352968312 428331483 /nfs/dbraw/zinc/33/14/83/428331483.db2.gz ORLCAOMIDOGFFG-IRXDYDNUSA-N 2 0 309.498 2.630 20 0 DFADRP [NH3+][C@@H]1CCC[C@H]2C[N@H+](Cc3c(F)cccc3N3CCCC3)C[C@@H]21 ZINC000346824080 428331567 /nfs/dbraw/zinc/33/15/67/428331567.db2.gz KXGYJBHHAUJSPJ-RLFYNMQTSA-N 2 0 317.452 2.985 20 0 DFADRP C[N@@H+]1CCCC[C@@H]1CCC(=O)N1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000352971977 428331957 /nfs/dbraw/zinc/33/19/57/428331957.db2.gz MRMUTZXLNUHUBZ-QZTJIDSGSA-N 2 0 321.509 2.728 20 0 DFADRP c1ccc2c(c1)CCN2CC1CC[NH+](C[C@@H]2CCC[NH2+]C2)CC1 ZINC000346821491 428332721 /nfs/dbraw/zinc/33/27/21/428332721.db2.gz AIGCQBYEQBVVPE-GOSISDBHSA-N 2 0 313.489 2.761 20 0 DFADRP FC(F)(F)CC[NH+]1CCC(N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)CC1 ZINC000356844002 428333961 /nfs/dbraw/zinc/33/39/61/428333961.db2.gz LYIPOGOZOBEQEA-CABCVRRESA-N 2 0 319.415 2.620 20 0 DFADRP [NH3+][C@@H]1CC[C@H]2C[N@H+](Cc3cnn(-c4ccc(Cl)cc4)c3)C[C@@H]12 ZINC000346832616 428336197 /nfs/dbraw/zinc/33/61/97/428336197.db2.gz LQBCJVSZERDMQT-IAOVAPTHSA-N 2 0 316.836 2.695 20 0 DFADRP COc1cc(C[N@@H+]2C[C@@H](C[NH3+])C[C@H]2C)c(SC)cc1OC ZINC000346832575 428336835 /nfs/dbraw/zinc/33/68/35/428336835.db2.gz LMEBZHQPNRDEON-VXGBXAGGSA-N 2 0 310.463 2.595 20 0 DFADRP CC[NH+](CC)CCC[NH2+]C1CCN(CCC(F)(F)F)CC1 ZINC000356850284 428337763 /nfs/dbraw/zinc/33/77/63/428337763.db2.gz QCJKWXVNDJLINX-UHFFFAOYSA-N 2 0 309.420 2.725 20 0 DFADRP [NH3+][C@@H]1CCC[C@H]2C[N@H+](Cc3ccc(OC(F)F)c(F)c3)C[C@@H]21 ZINC000346839708 428338591 /nfs/dbraw/zinc/33/85/91/428338591.db2.gz SKLPZTATQHDYBP-SGMGOOAPSA-N 2 0 314.351 2.986 20 0 DFADRP C[C@H]([NH2+]CCc1nccn1Cc1ccccc1)[C@H]1CCCOC1 ZINC000356858249 428340083 /nfs/dbraw/zinc/34/00/83/428340083.db2.gz XFONKUXIFSDGCL-WMZOPIPTSA-N 2 0 313.445 2.879 20 0 DFADRP [NH3+][C@@H]1CCC[C@H]2C[N@H+](Cc3ccc(OC(F)F)c(F)c3)C[C@H]21 ZINC000346839707 428340188 /nfs/dbraw/zinc/34/01/88/428340188.db2.gz SKLPZTATQHDYBP-OUCADQQQSA-N 2 0 314.351 2.986 20 0 DFADRP COc1cc(C[N@@H+]2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)c(SC)cc1OC ZINC000346840531 428341033 /nfs/dbraw/zinc/34/10/33/428341033.db2.gz FVHRBOBRPGNVFL-YUTCNCBUSA-N 2 0 322.474 2.595 20 0 DFADRP Cc1ncc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)n1-c1ccccc1 ZINC000346844858 428342113 /nfs/dbraw/zinc/34/21/13/428342113.db2.gz LZZSBAOBNSTRBM-IPELMVKDSA-N 2 0 310.445 2.740 20 0 DFADRP [NH3+][C@@H]1CC[C@H]2C[N@H+](Cc3c[nH]nc3-c3cccc(Cl)c3)C[C@H]12 ZINC000346843150 428342993 /nfs/dbraw/zinc/34/29/93/428342993.db2.gz XFQQMZIWVWNRDO-VBNZEHGJSA-N 2 0 316.836 2.899 20 0 DFADRP COc1cc(C[N@@H+]2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)ccc1OC(C)C ZINC000346852306 428344860 /nfs/dbraw/zinc/34/48/60/428344860.db2.gz KOKDFMDYBRKKOB-JYJNAYRXSA-N 2 0 304.434 2.652 20 0 DFADRP C[C@H]([NH2+]CC[C@@H]1CCCC[N@@H+]1C)c1ccc(-n2ccnn2)cc1 ZINC000342209392 428351719 /nfs/dbraw/zinc/35/17/19/428351719.db2.gz RYGGXTUEVQAWSO-RDJZCZTQSA-N 2 0 313.449 2.792 20 0 DFADRP Cc1ccccc1-c1nc(CN2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)no1 ZINC000342104328 428301170 /nfs/dbraw/zinc/30/11/70/428301170.db2.gz NSDQCRIUIJYNJS-NUEKZKHPSA-N 2 0 312.417 2.604 20 0 DFADRP [NH3+][C@@H]1CCO[C@H]1C1CC[NH+](Cc2cccc3cccnc32)CC1 ZINC000414796028 428413964 /nfs/dbraw/zinc/41/39/64/428413964.db2.gz XBEHIHQKGJVRNN-MJGOQNOKSA-N 2 0 311.429 2.563 20 0 DFADRP CC(C)C[C@@H]([NH3+])CN1CCC[C@@H](c2cc(C(F)(F)F)n[nH]2)C1 ZINC000414740042 428390597 /nfs/dbraw/zinc/39/05/97/428390597.db2.gz CXIFZTSEDYPJEV-VXGBXAGGSA-N 2 0 318.387 2.981 20 0 DFADRP CC[N@@H+](Cc1ccc(C(=O)N(C)C)cc1)C[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000414735021 428390872 /nfs/dbraw/zinc/39/08/72/428390872.db2.gz BVCZDKCXCJTDSF-DOTOQJQBSA-N 2 0 317.477 2.598 20 0 DFADRP C[C@@H](c1cccc(F)c1)[N@@H+]1CCC[C@H](CN2CC[NH+](C)CC2)C1 ZINC000378430042 428394786 /nfs/dbraw/zinc/39/47/86/428394786.db2.gz BMDGUKFQFKRVPR-DLBZAZTESA-N 2 0 319.468 2.846 20 0 DFADRP CCc1ccc(C[N@@H+]2CCC[C@@H](CN3CC[NH+](C)CC3)C2)cc1 ZINC000378435533 428395792 /nfs/dbraw/zinc/39/57/92/428395792.db2.gz NWKGHUGPVPPVCR-FQEVSTJZSA-N 2 0 315.505 2.708 20 0 DFADRP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]Cc1ccc(OCC(F)(F)F)c(F)c1 ZINC000414796336 428414238 /nfs/dbraw/zinc/41/42/38/428414238.db2.gz HOIXSBZMMQHBEN-AAEUAGOBSA-N 2 0 320.330 2.984 20 0 DFADRP C[C@@H]([NH3+])[C@H]1CCC[N@H+](Cc2c[nH]nc2-c2ccc(F)cc2)C1 ZINC000346995620 428399852 /nfs/dbraw/zinc/39/98/52/428399852.db2.gz BOJXOBFIRPJSKT-OCCSQVGLSA-N 2 0 302.397 2.775 20 0 DFADRP COc1cccc(C[N@@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)c1OC ZINC000414775103 428401349 /nfs/dbraw/zinc/40/13/49/428401349.db2.gz GEZSSASMTFKSMY-CABCVRRESA-N 2 0 304.434 2.525 20 0 DFADRP Cn1cc(C[N@@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)c(-c2ccccc2)n1 ZINC000414771998 428401374 /nfs/dbraw/zinc/40/13/74/428401374.db2.gz BBAPZCPETCCPNP-ZWKOTPCHSA-N 2 0 324.472 2.909 20 0 DFADRP COc1cccc(C[N@@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)c1OC ZINC000414775114 428402300 /nfs/dbraw/zinc/40/23/00/428402300.db2.gz GEZSSASMTFKSMY-LSDHHAIUSA-N 2 0 304.434 2.525 20 0 DFADRP Cc1ccc(C[N@@H+]2C[C@H](C[NH3+])C3(C2)CCOCC3)cc1Cl ZINC000414777812 428404475 /nfs/dbraw/zinc/40/44/75/428404475.db2.gz IKKQVKTYRKDCFW-HNNXBMFYSA-N 2 0 308.853 2.836 20 0 DFADRP C[NH+](C)CCc1ccc(NC(=O)CC[C@@H]2CCCC[N@@H+]2C)cc1 ZINC000353151816 428405968 /nfs/dbraw/zinc/40/59/68/428405968.db2.gz LVZXIHVCMBDMRX-SFHVURJKSA-N 2 0 317.477 2.994 20 0 DFADRP Cn1cc(C[N@@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)c(C(C)(C)C)n1 ZINC000414782720 428406006 /nfs/dbraw/zinc/40/60/06/428406006.db2.gz ORYUXMYJLLUXJW-HUUCEWRRSA-N 2 0 304.482 2.539 20 0 DFADRP Cc1ccc([C@@H]2CCC[C@@H]2[NH2+]CCCN2CC[NH2+]CC2)cc1 ZINC000414782350 428407005 /nfs/dbraw/zinc/40/70/05/428407005.db2.gz OQMYPIZNWJOJMB-OALUTQOASA-N 2 0 301.478 2.516 20 0 DFADRP COc1ccc(Br)cc1C[NH2+][C@@H]1CCC[C@@H]1C[NH3+] ZINC000414791577 428414388 /nfs/dbraw/zinc/41/43/88/428414388.db2.gz HYGPHSIDKHRGIP-ZWNOBZJWSA-N 2 0 313.239 2.675 20 0 DFADRP CCn1nc(C[N@@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)c2ccccc21 ZINC000414788183 428408782 /nfs/dbraw/zinc/40/87/82/428408782.db2.gz WJODZWNKFQMYJY-HZPDHXFCSA-N 2 0 312.461 2.878 20 0 DFADRP c1cn(-c2ccccc2)nc1C[N@@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000414787743 428410386 /nfs/dbraw/zinc/41/03/86/428410386.db2.gz VXWFQVAMNWDGGE-SJORKVTESA-N 2 0 310.445 2.694 20 0 DFADRP c1cc(C[N@@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)c2c(c1)OCCCO2 ZINC000414787197 428411157 /nfs/dbraw/zinc/41/11/57/428411157.db2.gz VIQBMQMDLXXSDA-JKSUJKDBSA-N 2 0 316.445 2.669 20 0 DFADRP COc1cc2c(c(C[NH+]3CCC([C@H](C)[NH3+])CC3)c1)O[C@H](C)C2 ZINC000347025425 428411138 /nfs/dbraw/zinc/41/11/38/428411138.db2.gz SDTRBBLZWZNQTB-OLZOCXBDSA-N 2 0 304.434 2.578 20 0 DFADRP Cc1cc(C)c(C[N@@H+]2C[C@H](C[NH3+])C3(C2)CCOCC3)c(C)c1 ZINC000414791780 428412235 /nfs/dbraw/zinc/41/22/35/428412235.db2.gz QXNHJUGAZQIKNW-KRWDZBQOSA-N 2 0 302.462 2.799 20 0 DFADRP CCC(C)(C)[NH2+][C@H](C)C(=O)N[C@H](C)C[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000347026992 428412815 /nfs/dbraw/zinc/41/28/15/428412815.db2.gz QNYPSZGVNZKXSZ-CAOSSQGBSA-N 2 0 311.514 2.636 20 0 DFADRP CCC(C)(C)[NH2+][C@H](C)C(=O)NCCC[N@H+](C)Cc1ccccc1 ZINC000346885685 428358407 /nfs/dbraw/zinc/35/84/07/428358407.db2.gz RWNWRBIPJSNNJO-MRXNPFEDSA-N 2 0 319.493 2.791 20 0 DFADRP [NH3+]C[C@H]1CCC[C@H]1[NH2+]Cc1cnn(-c2ccc(Cl)cc2)c1 ZINC000414793240 428413320 /nfs/dbraw/zinc/41/33/20/428413320.db2.gz JZSFCGMZTZBXBV-CZUORRHYSA-N 2 0 304.825 2.743 20 0 DFADRP [NH3+]CCOCC[N@H+](Cc1ccccc1C(F)(F)F)C1CC1 ZINC000357036182 428372247 /nfs/dbraw/zinc/37/22/47/428372247.db2.gz WWNWFPVNVGYOPC-UHFFFAOYSA-N 2 0 302.340 2.645 20 0 DFADRP C[C@@H]1C[C@@H](C[N@@H+]2CCC[C@H]2c2ccc3c(c2)OCCO3)CC[NH2+]1 ZINC000414681374 428372328 /nfs/dbraw/zinc/37/23/28/428372328.db2.gz OXUTZSDTNSCNNR-VYDXJSESSA-N 2 0 316.445 2.983 20 0 DFADRP CC(C)[N@@H+](C)C[C@H](C)NCc1nc2c(s1)C[NH+](C(C)C)CC2 ZINC000353071830 428375957 /nfs/dbraw/zinc/37/59/57/428375957.db2.gz LBEWXGQWOMRGOW-AWEZNQCLSA-N 2 0 324.538 2.728 20 0 DFADRP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]Cc1ccc(Br)cc1F ZINC000414791684 428413582 /nfs/dbraw/zinc/41/35/82/428413582.db2.gz IEYSMIGCMITHKA-ZANVPECISA-N 2 0 301.203 2.805 20 0 DFADRP C[N@H+](Cc1ccccc1)[C@H]1CCN(CCC[NH+]2CCCC2)C1 ZINC000371205087 428378085 /nfs/dbraw/zinc/37/80/85/428378085.db2.gz NSJBLIKBYATXMZ-IBGZPJMESA-N 2 0 301.478 2.679 20 0 DFADRP CCCCC[N@H+](C[C@@H]1CCCN(C(=O)C[NH3+])C1)[C@H](C)CCC ZINC000414700832 428378504 /nfs/dbraw/zinc/37/85/04/428378504.db2.gz ZVPXLEXMQLAASE-SJORKVTESA-N 2 0 311.514 2.865 20 0 DFADRP C[C@@H]1C[C@H](C[N@H+](CCCO)Cc2cccc(Cl)c2)CC[NH2+]1 ZINC000414698362 428379263 /nfs/dbraw/zinc/37/92/63/428379263.db2.gz DCHUPUNHLANWJE-GDBMZVCRSA-N 2 0 310.869 2.913 20 0 DFADRP CC[N@H+](C[C@@H]1CC[NH2+][C@@H](C)C1)[C@@H](COC)Cc1ccccc1 ZINC000414708753 428380261 /nfs/dbraw/zinc/38/02/61/428380261.db2.gz PHBHLDCRFNHCKB-QXAKKESOSA-N 2 0 304.478 2.954 20 0 DFADRP CC[N@H+](C[C@@H]1CC[NH2+][C@H](C)C1)[C@H](COC)Cc1ccccc1 ZINC000414708752 428380478 /nfs/dbraw/zinc/38/04/78/428380478.db2.gz PHBHLDCRFNHCKB-QRQLOZEOSA-N 2 0 304.478 2.954 20 0 DFADRP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@@H+]2Cc1cccc2[nH]ccc21 ZINC000378367797 428381077 /nfs/dbraw/zinc/38/10/77/428381077.db2.gz DYGBPWZUQLKWBT-AYOQOUSVSA-N 2 0 313.445 2.851 20 0 DFADRP Cc1ccnc(OC2CC[NH+](C[C@H]3CC[NH2+][C@H](C)C3)CC2)c1 ZINC000414704919 428381255 /nfs/dbraw/zinc/38/12/55/428381255.db2.gz DTCRDPVNQWFLCP-CVEARBPZSA-N 2 0 303.450 2.621 20 0 DFADRP [NH3+]CCOCC[N@@H+]1CCC[C@H]1c1ccc(Br)cc1 ZINC000357083866 428381379 /nfs/dbraw/zinc/38/13/79/428381379.db2.gz QOFQTBJVUMRBOT-AWEZNQCLSA-N 2 0 313.239 2.561 20 0 DFADRP CCN(C[C@@H]1CC[N@H+](C[C@H]2CC[NH2+][C@H](C)C2)C1)CC(F)(F)F ZINC000414711478 428382612 /nfs/dbraw/zinc/38/26/12/428382612.db2.gz SNFJZTPPOZBSAP-ILXRZTDVSA-N 2 0 321.431 2.581 20 0 DFADRP CCS[C@H](C)c1noc(CN(C)C[C@H]2CC[NH2+][C@H](C)C2)n1 ZINC000414714904 428383713 /nfs/dbraw/zinc/38/37/13/428383713.db2.gz WCLCBDNBCAERLL-UPJWGTAASA-N 2 0 312.483 2.704 20 0 DFADRP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]Cc1cnc(-c2ccncc2)s1 ZINC000414793531 428413757 /nfs/dbraw/zinc/41/37/57/428413757.db2.gz DPCCSIUXSRTUQX-DZGCQCFKSA-N 2 0 302.447 2.812 20 0 DFADRP Cc1cccc(NC(=O)[C@@H](C)[NH+]2CCC([C@@H]3CC[NH2+]C3)CC2)c1 ZINC000357092784 428384560 /nfs/dbraw/zinc/38/45/60/428384560.db2.gz XMPLJOPBJJWTRS-NVXWUHKLSA-N 2 0 315.461 2.644 20 0 DFADRP C[C@@H]1C[C@H](C[N@H+](Cc2ccccc2)[C@@H](CO)C2CC2)CC[NH2+]1 ZINC000414715630 428386120 /nfs/dbraw/zinc/38/61/20/428386120.db2.gz RHXUOLRORDYXDO-SUMDDJOVSA-N 2 0 302.462 2.648 20 0 DFADRP CC(C)n1c2ccccc2nc1[C@@H]1CCC[N@@H+]1CCOCC[NH3+] ZINC000357101244 428387097 /nfs/dbraw/zinc/38/70/97/428387097.db2.gz GZDNCHQPLVSVFN-KRWDZBQOSA-N 2 0 316.449 2.729 20 0 DFADRP Clc1ccccc1C[NH+]1CCC(N[C@H]2CCC[NH2+]C2)CC1 ZINC000414861086 428436216 /nfs/dbraw/zinc/43/62/16/428436216.db2.gz DXHOYUGFHZPUAY-INIZCTEOSA-N 2 0 307.869 2.646 20 0 DFADRP C[C@H]([NH3+])[C@@H]1CCC[N@H+](Cc2cn(C)nc2-c2cccs2)C1 ZINC000347090427 428438767 /nfs/dbraw/zinc/43/87/67/428438767.db2.gz GBYXKNZDUXDOOP-QWHCGFSZSA-N 2 0 304.463 2.708 20 0 DFADRP CCOc1c(OC)cc(C[NH+]2CCC([C@H](C)[NH3+])CC2)cc1OC ZINC000347098842 428443962 /nfs/dbraw/zinc/44/39/62/428443962.db2.gz ITNMFSANZZTQLE-ZDUSSCGKSA-N 2 0 322.449 2.662 20 0 DFADRP COc1c[nH+]ccc1N1CC[NH+](C[C@@H]2Cc3ccccc32)CC1 ZINC000347099775 428444168 /nfs/dbraw/zinc/44/41/68/428444168.db2.gz WBEZLXUERXMVKL-INIZCTEOSA-N 2 0 309.413 2.552 20 0 DFADRP CN(C(=[NH2+])NC[C@H]1CCC[N@H+](Cc2ccccc2)C1)C1CC1 ZINC000378643508 428447777 /nfs/dbraw/zinc/44/77/77/428447777.db2.gz UKEMBLZCRZBAJJ-MRXNPFEDSA-N 2 0 300.450 2.517 20 0 DFADRP Clc1ccc(CN2CCC([NH2+]C[C@@H]3CC[NH2+]C3)CC2)cc1 ZINC000414898694 428448875 /nfs/dbraw/zinc/44/88/75/428448875.db2.gz BVVNOISEJPIVKK-OAHLLOKOSA-N 2 0 307.869 2.504 20 0 DFADRP C[C@H](CC[NH3+])[NH2+]Cc1cn(C2CCCC2)nc1-c1ccccn1 ZINC000414901859 428450079 /nfs/dbraw/zinc/45/00/79/428450079.db2.gz XQARTIHMOUPMTC-CQSZACIVSA-N 2 0 313.449 2.887 20 0 DFADRP C[N@H+](Cc1ccccc1)CC(C)(C)CNCC[C@H]1CCC[NH2+]1 ZINC000414898528 428450188 /nfs/dbraw/zinc/45/01/88/428450188.db2.gz AQIWNLDUEFZFDT-GOSISDBHSA-N 2 0 303.494 2.876 20 0 DFADRP C[C@]1(C[NH2+]Cc2ccc(OC[C@H]3CCCO3)cc2)CCC[NH2+]C1 ZINC000414898600 428450280 /nfs/dbraw/zinc/45/02/80/428450280.db2.gz GMIPRPHQWPVTJJ-MOPGFXCFSA-N 2 0 318.461 2.724 20 0 DFADRP O=C(NCCCCC[NH+]1CCCCC1)[C@@]12C[NH2+]C[C@@H]1CCCC2 ZINC000357242443 428450461 /nfs/dbraw/zinc/45/04/61/428450461.db2.gz OPCLBKSRJVWCIL-HKUYNNGSSA-N 2 0 321.509 2.539 20 0 DFADRP CCCCOc1ccc(C[NH2+]C[C@H]2CC[NH2+]C2)cc1OCC ZINC000414908099 428452406 /nfs/dbraw/zinc/45/24/06/428452406.db2.gz NXEOZFDMDOSYSZ-INIZCTEOSA-N 2 0 306.450 2.963 20 0 DFADRP COC1(C[NH2+][C@@H]2CC[N@H+](C[C@@H]3CCCO3)C[C@@H]2C)CCCCC1 ZINC000372486108 428453109 /nfs/dbraw/zinc/45/31/09/428453109.db2.gz HGDGWANMKOHOKH-OKZBNKHCSA-N 2 0 324.509 2.815 20 0 DFADRP Cn1c(C[NH2+]CC2(C)CC[NH2+]CC2)nc2ccc(Cl)cc21 ZINC000414903805 428453220 /nfs/dbraw/zinc/45/32/20/428453220.db2.gz MFZMVYAHWSXMHD-UHFFFAOYSA-N 2 0 306.841 2.706 20 0 DFADRP CCCN(Cc1nccn1Cc1ccccc1)C1CC[NH2+]CC1 ZINC000347125341 428456586 /nfs/dbraw/zinc/45/65/86/428456586.db2.gz YCLRRPDQUBWRFT-UHFFFAOYSA-N 2 0 312.461 2.895 20 0 DFADRP CCOc1cc(C[NH2+][C@H]2CCC[NH2+]CC2)ccc1OC(F)F ZINC000414920814 428457380 /nfs/dbraw/zinc/45/73/80/428457380.db2.gz ZILUCEFKBGCBRW-ZDUSSCGKSA-N 2 0 314.376 2.918 20 0 DFADRP C[C@@H]1CC[NH2+]C[C@@H]1N[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000414925371 428460912 /nfs/dbraw/zinc/46/09/12/428460912.db2.gz JMYCNDSUAAGHTJ-JFRXWTBNSA-N 2 0 301.478 2.627 20 0 DFADRP CCc1ccccc1NC(=O)C[C@H](C)[NH2+][C@H]1CC[NH2+]C[C@H]1C ZINC000414936887 428463647 /nfs/dbraw/zinc/46/36/47/428463647.db2.gz HCCMGRFALIIINR-YCPHGPKFSA-N 2 0 303.450 2.554 20 0 DFADRP C[C@@H]1C[C@H](NC2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)CC[NH2+]1 ZINC000414942924 428464968 /nfs/dbraw/zinc/46/49/68/428464968.db2.gz DUCKBAVCGUYBNY-RNINOARNSA-N 2 0 313.489 2.912 20 0 DFADRP COCCCOc1cccc(C[N@@H+]2CCC[C@H]([C@H](C)[NH3+])C2)c1 ZINC000347036026 428418539 /nfs/dbraw/zinc/41/85/39/428418539.db2.gz DZHXDEULGUTGIH-RDJZCZTQSA-N 2 0 306.450 2.661 20 0 DFADRP Cc1cccc(NC(=O)C[C@H](C)[NH2+][C@H]2CCC[C@@H]2C[NH3+])c1C ZINC000414809000 428418823 /nfs/dbraw/zinc/41/88/23/428418823.db2.gz SZYMIXDPALXEKP-LXZKKBNFSA-N 2 0 303.450 2.738 20 0 DFADRP C[C@H](Cc1ccc(Br)c(F)c1)[NH2+]CC(C)(C)[NH3+] ZINC000414810938 428419894 /nfs/dbraw/zinc/41/98/94/428419894.db2.gz YLVYSQHKAMXDJV-SECBINFHSA-N 2 0 303.219 2.846 20 0 DFADRP CC(C)c1ccc([C@@H](N)C[NH2+]Cc2ccc3c(c2)nnn3C)cc1 ZINC000414820382 428421979 /nfs/dbraw/zinc/42/19/79/428421979.db2.gz AQOHLTVPHWTXHO-KRWDZBQOSA-N 2 0 323.444 2.881 20 0 DFADRP Clc1cc(C[NH2+]C[C@H]2CCC[NH2+]C2)cc2c1OCCCO2 ZINC000414824389 428423948 /nfs/dbraw/zinc/42/39/48/428423948.db2.gz FLDLXGDYERHDGX-LBPRGKRZSA-N 2 0 310.825 2.591 20 0 DFADRP C[C@@H]1C[C@H]([NH2+]CC[C@H]2CC[NH2+]C2)CCN1Cc1ccccc1 ZINC000414826473 428424661 /nfs/dbraw/zinc/42/46/61/428424661.db2.gz FOAHJJQCWLDWKN-ZHALLVOQSA-N 2 0 301.478 2.629 20 0 DFADRP Fc1ccccc1-c1n[nH]cc1C[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000414825639 428424691 /nfs/dbraw/zinc/42/46/91/428424691.db2.gz HJDBWXNRBLWQGT-PBWFPOADSA-N 2 0 300.381 2.588 20 0 DFADRP CCC(C)(C)[NH2+][C@@H](C)C(=O)NC[C@@H](c1ccc(C)cc1)[NH+](C)C ZINC000347049361 428425600 /nfs/dbraw/zinc/42/56/00/428425600.db2.gz WMJYZRVHBFEGPK-RDJZCZTQSA-N 2 0 319.493 2.881 20 0 DFADRP Cc1ccccc1NC(=O)C[C@@H](C)[NH2+]CC[C@@H]1CCC[NH2+]C1 ZINC000414829460 428426324 /nfs/dbraw/zinc/42/63/24/428426324.db2.gz AYTUXEXGRCJGPT-CVEARBPZSA-N 2 0 303.450 2.691 20 0 DFADRP Fc1cc(C[NH2+]C[C@H]2CCC[NH2+]C2)ccc1OCC(F)(F)F ZINC000414836246 428431037 /nfs/dbraw/zinc/43/10/37/428431037.db2.gz URAQGQXAROQEED-LBPRGKRZSA-N 2 0 320.330 2.856 20 0 DFADRP COc1cc(C[NH2+]CC[C@@H]2CC[NH2+]C2)c(SC)cc1OC ZINC000414837153 428431180 /nfs/dbraw/zinc/43/11/80/428431180.db2.gz UGBXYTKACRJGSI-LBPRGKRZSA-N 2 0 310.463 2.515 20 0 DFADRP C[NH2+]C[C@@H](C)CNC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000414847442 428432189 /nfs/dbraw/zinc/43/21/89/428432189.db2.gz VVUIAZLDVQOQFQ-BPIHKTFHSA-N 2 0 301.478 2.627 20 0 DFADRP C[C@H]([NH2+]C[C@H](O)C[NH+]1CCC(C)CC1)C1CCC(F)(F)CC1 ZINC000353315265 428479683 /nfs/dbraw/zinc/47/96/83/428479683.db2.gz PCOJXASWGSQQAW-HOCLYGCPSA-N 2 0 318.452 2.883 20 0 DFADRP COc1cc(C[NH2+]CCC[C@H]2CCC[NH2+]2)cc(Cl)c1OC ZINC000414982727 428479810 /nfs/dbraw/zinc/47/98/10/428479810.db2.gz YZTRBGHDMKXXAE-ZDUSSCGKSA-N 2 0 312.841 2.979 20 0 DFADRP CC[C@@H]([NH3+])C[NH2+][C@H](C)CC(=O)Nc1ccccc1C(F)(F)F ZINC000414983996 428481209 /nfs/dbraw/zinc/48/12/09/428481209.db2.gz FNOQCXQHRSVSMA-GHMZBOCLSA-N 2 0 317.355 2.749 20 0 DFADRP C[N@H+]1CC=C(C[NH2+][C@H]2CCC[C@H](NC(=O)OC(C)(C)C)C2)CC1 ZINC000392196584 428481281 /nfs/dbraw/zinc/48/12/81/428481281.db2.gz DGQUMGAMOOATEW-HOTGVXAUSA-N 2 0 323.481 2.674 20 0 DFADRP [NH3+][C@H]1CCC[C@@H](C[NH2+]Cc2cnc(-c3ccccn3)s2)C1 ZINC000414985946 428481226 /nfs/dbraw/zinc/48/12/26/428481226.db2.gz BWQPTUWBGGGJBI-OLZOCXBDSA-N 2 0 302.447 2.812 20 0 DFADRP C[N@H+]1CC=C(C[NH2+]C2CCC(NC(=O)OC(C)(C)C)CC2)CC1 ZINC000392214158 428481714 /nfs/dbraw/zinc/48/17/14/428481714.db2.gz UCCWBBWQGPCPIE-UHFFFAOYSA-N 2 0 323.481 2.674 20 0 DFADRP C[C@H](C[C@H]1CCC[NH2+]1)NC[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC000414990570 428482635 /nfs/dbraw/zinc/48/26/35/428482635.db2.gz ABVYCUBPJYYFCU-IWKCEXAMSA-N 3 0 319.468 2.639 20 0 DFADRP c1ccc(OCC2CC2)c(C[NH2+][C@@H]2C[C@H]2C2CC[NH2+]CC2)c1 ZINC000415002533 428485027 /nfs/dbraw/zinc/48/50/27/428485027.db2.gz DUWZSOBHEXQAHQ-ZWKOTPCHSA-N 2 0 300.446 2.953 20 0 DFADRP CCc1ccc([C@@H](C)[NH2+][C@H](CC(C)C)C(=O)NCC[NH+](C)C)o1 ZINC000347186095 428486073 /nfs/dbraw/zinc/48/60/73/428486073.db2.gz CTBNYLCULFMQAE-GDBMZVCRSA-N 2 0 323.481 2.585 20 0 DFADRP COc1ccc([C@H](C)C[NH+]2CCC([N@H+](C)C[C@@H](C)O)CC2)cc1 ZINC000342919313 428488642 /nfs/dbraw/zinc/48/86/42/428488642.db2.gz UCDJGASLHKXKLE-HZPDHXFCSA-N 2 0 320.477 2.576 20 0 DFADRP Cn1cc(C[NH2+][C@@H]2C[C@H]2C2CC[NH2+]CC2)c(C2CCCCC2)n1 ZINC000415014699 428491566 /nfs/dbraw/zinc/49/15/66/428491566.db2.gz XDPXLONUWQKSKJ-ZWKOTPCHSA-N 2 0 316.493 2.946 20 0 DFADRP COc1cc(C[NH2+]C[C@H]2CC[C@H](C[NH3+])CC2)cc(OC)c1OC ZINC000415027512 428492287 /nfs/dbraw/zinc/49/22/87/428492287.db2.gz WREMXOCBKGZMHZ-HDJSIYSDSA-N 2 0 322.449 2.567 20 0 DFADRP C[C@@H](CC(=O)N1CCCCCC1)[NH2+]C[C@H]1CC[C@H](C[NH3+])CC1 ZINC000415028181 428494127 /nfs/dbraw/zinc/49/41/27/428494127.db2.gz YDRBCYJPGFBHDK-ULQDDVLXSA-N 2 0 309.498 2.522 20 0 DFADRP COc1cc(C[N@@H+]2CCCC[C@H]2[C@H]2CC[NH2+]C2)cc(OC)c1 ZINC000415039002 428495857 /nfs/dbraw/zinc/49/58/57/428495857.db2.gz IGGRIXSSSPJPLR-YJBOKZPZSA-N 2 0 304.434 2.668 20 0 DFADRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H](C)C[C@H]2CCCO2)[C@H](C)C1 ZINC000360932124 428495916 /nfs/dbraw/zinc/49/59/16/428495916.db2.gz YOSUTUSVOIKUKG-TVFCKZIOSA-N 2 0 312.498 2.671 20 0 DFADRP [NH3+]C[C@H]1CC[C@@H]([NH2+]Cc2ccc(F)cc2Br)C1 ZINC000415037030 428496494 /nfs/dbraw/zinc/49/64/94/428496494.db2.gz LWAHWROISRXADK-JOYOIKCWSA-N 2 0 301.203 2.805 20 0 DFADRP C[NH2+][C@@H](CC(C)(C)C)C(=O)NCCC[N@H+](C)Cc1ccccc1 ZINC000395692612 428496628 /nfs/dbraw/zinc/49/66/28/428496628.db2.gz VLRQTPHEHIAFBG-KRWDZBQOSA-N 2 0 319.493 2.649 20 0 DFADRP CCOc1cccc(C[NH+]2CCC([C@H]3C[C@@H]([NH3+])CCO3)CC2)c1 ZINC000415130291 428531280 /nfs/dbraw/zinc/53/12/80/428531280.db2.gz WSYMAXJYULTCAQ-PKOBYXMFSA-N 2 0 318.461 2.804 20 0 DFADRP Cc1nn(-c2cccc(F)c2)cc1C[NH2+][C@@H]1CC[C@H](C[NH3+])C1 ZINC000415046849 428498043 /nfs/dbraw/zinc/49/80/43/428498043.db2.gz VKKNYMHMHPCTPJ-XJKSGUPXSA-N 2 0 302.397 2.537 20 0 DFADRP Cc1ccccc1[C@H](C)[NH2+][C@H](CC(C)C)C(=O)NCC[NH+](C)C ZINC000347219920 428498267 /nfs/dbraw/zinc/49/82/67/428498267.db2.gz DASUDVCTVZAYOC-FUHWJXTLSA-N 2 0 319.493 2.738 20 0 DFADRP COCCOc1ccc(C[N@@H+]2CCCC[C@H]2[C@@H]2CC[NH2+]C2)cc1 ZINC000415053083 428500342 /nfs/dbraw/zinc/50/03/42/428500342.db2.gz NYDMYWXUQDFODC-MJGOQNOKSA-N 2 0 318.461 2.676 20 0 DFADRP [NH3+]C[C@H]1CC[C@@H]([NH2+]Cc2ccccc2OCc2ccccn2)C1 ZINC000415048287 428500821 /nfs/dbraw/zinc/50/08/21/428500821.db2.gz WSWZBCSLJMAOQY-DOTOQJQBSA-N 2 0 311.429 2.878 20 0 DFADRP Cc1cccc(NC(=O)C[C@H](C)[NH2+][C@H]2CC[C@@H](C[NH3+])C2)c1C ZINC000415050805 428501021 /nfs/dbraw/zinc/50/10/21/428501021.db2.gz YUWIVFVCUTTYKI-IMJJTQAJSA-N 2 0 303.450 2.738 20 0 DFADRP Cc1cccc(NC(=O)C[C@@H](C)[N@@H+]2C[C@@H](C)[C@](C)(C[NH3+])C2)c1C ZINC000415059046 428503488 /nfs/dbraw/zinc/50/34/88/428503488.db2.gz WUFDVKRMWXLHKH-SPYBWZPUSA-N 2 0 317.477 2.937 20 0 DFADRP CCN1C[C@@H](C)[C@@H]([NH2+]Cc2ccc(C[NH+](CC)CC)cc2)C1 ZINC000343034652 428505727 /nfs/dbraw/zinc/50/57/27/428505727.db2.gz OUTDXVXAGZKRDH-APWZRJJASA-N 2 0 303.494 2.958 20 0 DFADRP COC(=O)c1ccc(Cl)c(C[NH2+]CCCn2ccnc2)c1 ZINC000360956805 428508163 /nfs/dbraw/zinc/50/81/63/428508163.db2.gz IOQMILLLKOJONU-UHFFFAOYSA-N 2 0 307.781 2.503 20 0 DFADRP Fc1ccc(OCC[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)c(F)c1 ZINC000415074884 428509369 /nfs/dbraw/zinc/50/93/69/428509369.db2.gz AYDBPFPXAXMCGG-NUEKZKHPSA-N 2 0 310.388 2.854 20 0 DFADRP CC[C@H](Cc1ccc(OC)c(OC)c1)[NH2+][C@@H]1CCCC[NH2+]C1 ZINC000415069892 428510065 /nfs/dbraw/zinc/51/00/65/428510065.db2.gz PKTPPKYBGDYICQ-HZPDHXFCSA-N 2 0 306.450 2.757 20 0 DFADRP C[C@@H](CC1CC1)[NH2+]CC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000397486493 428512324 /nfs/dbraw/zinc/51/23/24/428512324.db2.gz CKUWLJCXGTYOTR-INIZCTEOSA-N 2 0 302.462 2.792 20 0 DFADRP C[C@@H]([NH2+]CC1(O)CC[NH+](Cc2ccccc2)CC1)C1CCC1 ZINC000397588369 428512543 /nfs/dbraw/zinc/51/25/43/428512543.db2.gz KOUNXHTUYJKOMR-MRXNPFEDSA-N 2 0 302.462 2.792 20 0 DFADRP C[C@H]([NH2+][C@@H](C)[C@@H]1CCC[NH2+]C1)c1cccc(N2CCCC2=O)c1 ZINC000415079874 428512478 /nfs/dbraw/zinc/51/24/78/428512478.db2.gz IQVGTCNEQSWWMN-YQQAZPJKSA-N 2 0 315.461 2.852 20 0 DFADRP [NH3+]CC1CCC([NH2+][C@@H]2CCO[C@H]2c2ccc(F)c(F)c2)CC1 ZINC000415082250 428513413 /nfs/dbraw/zinc/51/34/13/428513413.db2.gz CXTNMZJVLQKEQB-BTJFUYOGSA-N 2 0 310.388 2.902 20 0 DFADRP COc1ccc(C(C)(C)C[NH2+]C[C@H]2CC[NH2+][C@@H](C)C2)cc1OC ZINC000415079012 428513955 /nfs/dbraw/zinc/51/39/55/428513955.db2.gz JLCIRIZAWSSQQY-GJZGRUSLSA-N 2 0 320.477 2.959 20 0 DFADRP C[C@]1(CN[C@H]2CCC[C@H]2C[NH3+])CCC[N@@H+]1Cc1ccccc1 ZINC000397981231 428514177 /nfs/dbraw/zinc/51/41/77/428514177.db2.gz GYORKLLJHDOBDB-GBESFXJTSA-N 2 0 301.478 2.758 20 0 DFADRP CC[N@@H+]1CC[C@H](N[C@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C)C1 ZINC000398011192 428516100 /nfs/dbraw/zinc/51/61/00/428516100.db2.gz DBFLUAPPVXKBDN-WDSOQIARSA-N 2 0 301.478 2.581 20 0 DFADRP C[C@H]1CN(Cc2ccccc2)CC[C@@H]1[NH2+]C1CCC([NH3+])CC1 ZINC000398051040 428518051 /nfs/dbraw/zinc/51/80/51/428518051.db2.gz XTFAGKAYQHCSMZ-RXQRSOPUSA-N 2 0 301.478 2.757 20 0 DFADRP Cc1nn(-c2ccccc2)c(C)c1C[N@H+]1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000415100794 428518296 /nfs/dbraw/zinc/51/82/96/428518296.db2.gz ALCJSAKGDVJFFN-YOEHRIQHSA-N 2 0 312.461 2.906 20 0 DFADRP CC(C)C[C@H]([NH2+][C@@H](C)c1ccc(F)cc1)C(=O)NCC[NH+](C)C ZINC000347259211 428518312 /nfs/dbraw/zinc/51/83/12/428518312.db2.gz YIERGCSGNNTZMB-YOEHRIQHSA-N 2 0 323.456 2.569 20 0 DFADRP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)CCC(C)(C)[NH3+] ZINC000398084369 428518857 /nfs/dbraw/zinc/51/88/57/428518857.db2.gz SXNMURRJYRLERS-RDJZCZTQSA-N 2 0 317.477 2.531 20 0 DFADRP COc1cc(C[NH2+]C2CCC([NH+](C)C)CC2)cc(OC)c1OC ZINC000353397201 428519751 /nfs/dbraw/zinc/51/97/51/428519751.db2.gz WRDPMJTWMRMZOZ-UHFFFAOYSA-N 2 0 322.449 2.675 20 0 DFADRP C[N@@H+]1CC[C@H]([NH2+]Cc2ccc(Cn3ccnc3)cc2)[C@H]2CCC[C@@H]21 ZINC000353402439 428521588 /nfs/dbraw/zinc/52/15/88/428521588.db2.gz JACXNCVHVAXUKE-AABGKKOBSA-N 3 0 324.472 2.894 20 0 DFADRP FC(F)(F)[C@@H]1CC[N@H+](C[C@@H]2CCC[NH2+]C2)CC12CCOCC2 ZINC000415103749 428522251 /nfs/dbraw/zinc/52/22/51/428522251.db2.gz DABIVFMCGKMCII-ZIAGYGMSSA-N 2 0 320.399 2.667 20 0 DFADRP CCOCc1cc(C[N@@H+]2CC[C@@H](C)[C@H](C[NH3+])C2)ccc1OC ZINC000415103266 428522687 /nfs/dbraw/zinc/52/26/87/428522687.db2.gz CZWYXWBZWXNTJC-RHSMWYFYSA-N 2 0 306.450 2.648 20 0 DFADRP C[C@H](Cc1ccccc1Br)[NH2+][C@@H](C)[C@H]1CC[NH2+]C1 ZINC000415115309 428524668 /nfs/dbraw/zinc/52/46/68/428524668.db2.gz GXZPAHXQPDVPHB-DYEKYZERSA-N 2 0 311.267 2.968 20 0 DFADRP c1cnn(Cc2ccccc2C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)c1 ZINC000415120368 428525709 /nfs/dbraw/zinc/52/57/09/428525709.db2.gz YANFOSULGIWDME-VAMGGRTRSA-N 2 0 324.472 2.942 20 0 DFADRP COc1ccc(C)cc1C[NH+]1CCC([C@@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000415119394 428525838 /nfs/dbraw/zinc/52/58/38/428525838.db2.gz FLVGXWHRYKXZSB-HKUYNNGSSA-N 2 0 318.461 2.722 20 0 DFADRP [NH3+]C[C@@H]1CCC[C@H]1NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000390722036 428473828 /nfs/dbraw/zinc/47/38/28/428473828.db2.gz ZNCRZESJTLLCJC-FCFHUKJJSA-N 2 0 313.489 2.899 20 0 DFADRP c1cn(-c2ccc(C[N@@H+]3CCC[C@@H]([C@@H]4CCC[NH2+]4)C3)cc2)cn1 ZINC000391007030 428476943 /nfs/dbraw/zinc/47/69/43/428476943.db2.gz IJGIVKUIQSABGI-MJGOQNOKSA-N 2 0 310.445 2.836 20 0 DFADRP COc1cc(C[NH2+]CCC[C@H]2CCC[NH2+]2)ccc1OC(F)F ZINC000414977268 428477123 /nfs/dbraw/zinc/47/71/23/428477123.db2.gz RAUCMKWOKWDCHQ-ZDUSSCGKSA-N 2 0 314.376 2.918 20 0 DFADRP CC1=CCC[C@H](C)[C@H]1C[NH2+][C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000373459575 428581502 /nfs/dbraw/zinc/58/15/02/428581502.db2.gz MORRMPVTZXFSCF-LNLFQRSKSA-N 2 0 305.510 2.737 20 0 DFADRP COC1(C[N@@H+]2CC[C@H](CN(C)Cc3cccnc3)C2)CCCC1 ZINC000361607272 428582063 /nfs/dbraw/zinc/58/20/63/428582063.db2.gz BXJTUMDHMMKXED-GOSISDBHSA-N 2 0 317.477 2.795 20 0 DFADRP CC[C@H]([NH2+]C[C@@H](C)N1CCCC[C@@H]1C)C1(C(=O)OC)CCC1 ZINC000353547057 428587377 /nfs/dbraw/zinc/58/73/77/428587377.db2.gz YCIOFVVFLUSBBB-XHSDSOJGSA-N 2 0 310.482 2.961 20 0 DFADRP CC[C@H](C)[C@H](C)[N@H+](CC(=O)NC1CC[NH+](C(C)C)CC1)C1CC1 ZINC000358197876 428587481 /nfs/dbraw/zinc/58/74/81/428587481.db2.gz ONAVALFEURKSSZ-HOTGVXAUSA-N 2 0 323.525 2.874 20 0 DFADRP C[C@@H]1CC[C@@H]([NH2+]CC2=CC[N@H+](C)CC2)CN1C(=O)OC(C)(C)C ZINC000399050122 428532257 /nfs/dbraw/zinc/53/22/57/428532257.db2.gz UTIOBKHBNLDFEB-GDBMZVCRSA-N 2 0 323.481 2.626 20 0 DFADRP CCc1ccc(C[NH+]2CCC([C@@H]3C[C@@H]([NH3+])CCO3)CC2)cc1 ZINC000415130472 428532506 /nfs/dbraw/zinc/53/25/06/428532506.db2.gz XBJPTLDPAYPPFC-OALUTQOASA-N 2 0 302.462 2.967 20 0 DFADRP Fc1ccc(C[N@@H+]2CC3(CC[NH2+]CC3)[C@@H]3COC[C@@H]32)cc1Cl ZINC000415141159 428537132 /nfs/dbraw/zinc/53/71/32/428537132.db2.gz OQPANSZYSBGQEX-CJNGLKHVSA-N 2 0 324.827 2.680 20 0 DFADRP [NH3+]CC1(O)CC[NH+](Cc2ccc(-c3cccc(F)c3)s2)CC1 ZINC000415143507 428537369 /nfs/dbraw/zinc/53/73/69/428537369.db2.gz SJDATYGKZQLVAW-UHFFFAOYSA-N 2 0 320.433 2.840 20 0 DFADRP Fc1cc(Cl)cc(C[N@@H+]2CC3(CC[NH2+]CC3)[C@@H]3COC[C@@H]32)c1 ZINC000415141735 428537832 /nfs/dbraw/zinc/53/78/32/428537832.db2.gz PWIBESSVBUWZRU-CVEARBPZSA-N 2 0 324.827 2.680 20 0 DFADRP C[C@H](C[NH2+]C1CCN(c2nccs2)CC1)C[NH+]1CCCCC1 ZINC000373288056 428541040 /nfs/dbraw/zinc/54/10/40/428541040.db2.gz LFJCELGBZMAFIE-OAHLLOKOSA-N 2 0 322.522 2.824 20 0 DFADRP C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)CC[C@@H]1CCCC[NH+]1C ZINC000353452030 428541380 /nfs/dbraw/zinc/54/13/80/428541380.db2.gz WAMAHOIKLOUCNR-BBWFWOEESA-N 2 0 309.498 2.630 20 0 DFADRP CC1CC[NH+](CCC[NH2+]C2CCN(c3nccs3)CC2)CC1 ZINC000373297200 428541514 /nfs/dbraw/zinc/54/15/14/428541514.db2.gz VDBOULNFPFXCMT-UHFFFAOYSA-N 2 0 322.522 2.824 20 0 DFADRP c1cncc(CN2CCC[C@H](C[NH2+]C[C@H]3CCSC3)C2)c1 ZINC000373300321 428542252 /nfs/dbraw/zinc/54/22/52/428542252.db2.gz AVFUEQPAGGQQLV-IAGOWNOFSA-N 2 0 305.491 2.636 20 0 DFADRP CC(C)(C[NH2+]C1CCN(c2nccs2)CC1)N1CCCCC1 ZINC000373296050 428542580 /nfs/dbraw/zinc/54/25/80/428542580.db2.gz JTEUJXDKLHCPJN-UHFFFAOYSA-N 2 0 322.522 2.966 20 0 DFADRP COCCOc1cccc(C[NH2+][C@@H]2CC[N@H+](C)[C@H]3CCC[C@@H]32)c1 ZINC000353451523 428543437 /nfs/dbraw/zinc/54/34/37/428543437.db2.gz AEHZIOKUICFJSP-QRVBRYPASA-N 2 0 318.461 2.674 20 0 DFADRP C[N@@H+]1CC[C@H]([NH2+]CCc2ccc(-n3cccn3)cc2)[C@@H]2CCC[C@H]21 ZINC000353451487 428543823 /nfs/dbraw/zinc/54/38/23/428543823.db2.gz ABCJDMAOUYANOF-SLFFLAALSA-N 2 0 324.472 2.877 20 0 DFADRP CO[C@@H](C[NH2+]C[C@H]1CCC[N@H+](Cc2ccccc2)C1)C1CC1 ZINC000400169989 428544208 /nfs/dbraw/zinc/54/42/08/428544208.db2.gz KDHZROAOKIKLHH-MJGOQNOKSA-N 2 0 302.462 2.913 20 0 DFADRP C[C@@H]1CCC[N@H+](CCCC[NH2+][C@@H]2CC[NH+](C)[C@@H]3CCC[C@H]32)C1 ZINC000353462310 428548423 /nfs/dbraw/zinc/54/84/23/428548423.db2.gz IOHVOMNCUNASCQ-FCGDIQPGSA-N 2 0 307.526 2.961 20 0 DFADRP C[C@H](NC[C@@]1(C)CCC[N@@H+]1Cc1ccccc1)[C@H]1CCC[NH2+]1 ZINC000400811611 428548988 /nfs/dbraw/zinc/54/89/88/428548988.db2.gz YNKPJQDKDIJFAV-QXAKKESOSA-N 2 0 301.478 2.771 20 0 DFADRP C[C@H](N[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)[C@@H]1CC[NH2+]C1 ZINC000400757515 428549351 /nfs/dbraw/zinc/54/93/51/428549351.db2.gz XKNSUWLPXPQQIJ-UKBAYJJMSA-N 3 0 301.478 2.627 20 0 DFADRP Brc1cccc(CC[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000400953091 428550729 /nfs/dbraw/zinc/55/07/29/428550729.db2.gz XMAHYEJTCQLNGI-OFQRWUPVSA-N 2 0 323.278 2.969 20 0 DFADRP Brc1cccc(C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000401037790 428551532 /nfs/dbraw/zinc/55/15/32/428551532.db2.gz NRVPEPBMXPRCTH-VNHYZAJKSA-N 2 0 309.251 2.927 20 0 DFADRP c1ccc(CN2CCC[C@@H]2C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000400961474 428551872 /nfs/dbraw/zinc/55/18/72/428551872.db2.gz GCKJGSBCHYYNIG-UAFMIMERSA-N 3 0 313.489 2.629 20 0 DFADRP Brc1ccc(C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)s1 ZINC000401017403 428551986 /nfs/dbraw/zinc/55/19/86/428551986.db2.gz OWBQFLSLILCFMK-OUAUKWLOSA-N 2 0 315.280 2.988 20 0 DFADRP CC[NH+](CC)CCO[C@@H]1CC[N@@H+]([C@@H]2C[C@@H]2c2ccccc2)C1 ZINC000361310528 428555216 /nfs/dbraw/zinc/55/52/16/428555216.db2.gz TUZLURCSAPJHPC-GUDVDZBRSA-N 2 0 302.462 2.975 20 0 DFADRP [NH3+]C1(C(=O)NC2CC[NH+](CC3CCCCC3)CC2)CCCCC1 ZINC000361727012 428594345 /nfs/dbraw/zinc/59/43/45/428594345.db2.gz KDEXAVXQRMMNLP-UHFFFAOYSA-N 2 0 321.509 2.809 20 0 DFADRP C[C@@H]1CCC[N@H+](CCC(=O)Nc2ccccc2F)[C@@H]1CC[NH3+] ZINC000404287495 428564774 /nfs/dbraw/zinc/56/47/74/428564774.db2.gz ITFIGQWOZKVERA-CZUORRHYSA-N 2 0 307.413 2.604 20 0 DFADRP C[C@@H]1CCC[N@H+](CCC(=O)Nc2ccccc2F)[C@H]1CC[NH3+] ZINC000404287492 428564814 /nfs/dbraw/zinc/56/48/14/428564814.db2.gz ITFIGQWOZKVERA-CJNGLKHVSA-N 2 0 307.413 2.604 20 0 DFADRP COc1cc(C[N@@H+]2CCC[C@@H](C)[C@@H]2CC[NH3+])cc(OC)c1OC ZINC000404453835 428572130 /nfs/dbraw/zinc/57/21/30/428572130.db2.gz ZZHFAHSFIPWKDR-HIFRSBDPSA-N 2 0 322.449 2.662 20 0 DFADRP CC(C)n1ncc2c1C[C@H]([NH2+][C@@H]1CC[N@@H+]3CCC[C@H]3C1)CC2 ZINC000358018498 428577005 /nfs/dbraw/zinc/57/70/05/428577005.db2.gz AWJMHFUEKGCHGY-ZACQAIPSSA-N 2 0 302.466 2.538 20 0 DFADRP C[NH+](C)CCOC1CC[NH+](Cc2cccc3cc[nH]c32)CC1 ZINC000353523672 428578843 /nfs/dbraw/zinc/57/88/43/428578843.db2.gz YDPNRPBIDALSAJ-UHFFFAOYSA-N 2 0 301.434 2.711 20 0 DFADRP [NH3+][C@@H]1CCC[C@H]1CC(=O)Nc1ccc(C[NH+]2CCCC2)cc1 ZINC000405272691 428579020 /nfs/dbraw/zinc/57/90/20/428579020.db2.gz VWQAKZBUKADCDH-DOTOQJQBSA-N 2 0 301.434 2.738 20 0 DFADRP C1C([NH2+][C@@H]2[C@@H]3CCO[C@H]3C23CCCC3)CC1[NH+]1CCCCC1 ZINC000373524989 428597291 /nfs/dbraw/zinc/59/72/91/428597291.db2.gz WLSGYETVQZUPKL-YXYCDRMUSA-N 2 0 304.478 2.941 20 0 DFADRP C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)C1(C[NH+](C)C)CCCCC1 ZINC000358705420 428634084 /nfs/dbraw/zinc/63/40/84/428634084.db2.gz MFZJSFBRVPMQGE-IRXDYDNUSA-N 2 0 323.525 2.735 20 0 DFADRP C[C@@H](CNC(=O)c1ccc2c(c1)C[NH2+]C2)[N@H+](C)Cc1ccccc1 ZINC000347530020 428598737 /nfs/dbraw/zinc/59/87/37/428598737.db2.gz NRTXLJAXHPPGGJ-HNNXBMFYSA-N 2 0 323.440 2.540 20 0 DFADRP CN(CCC[N@H+](C)Cc1cc2ccccc2o1)CC[NH+](C)C ZINC000344013907 428607731 /nfs/dbraw/zinc/60/77/31/428607731.db2.gz CYPDIMJGTMTOQJ-UHFFFAOYSA-N 2 0 303.450 2.748 20 0 DFADRP CCC(C)(C)[NH2+][C@@H](C)C(=O)N(C)CCC[N@H+](C)Cc1ccco1 ZINC000344038032 428613934 /nfs/dbraw/zinc/61/39/34/428613934.db2.gz YYIFGDNIOGNVIE-HNNXBMFYSA-N 2 0 323.481 2.727 20 0 DFADRP CCC[N@H+](CC)C[C@@H](C)NC(=O)Nc1ccccc1C[NH2+]C ZINC000415901848 428621905 /nfs/dbraw/zinc/62/19/05/428621905.db2.gz NNXSACHIBLOVRQ-CQSZACIVSA-N 2 0 306.454 2.648 20 0 DFADRP C[NH2+]Cc1ccccc1NC(=O)N(C)CC[C@@H]1CCCC[N@@H+]1C ZINC000415910057 428623815 /nfs/dbraw/zinc/62/38/15/428623815.db2.gz HAZNWKLNJNGGMA-INIZCTEOSA-N 2 0 318.465 2.744 20 0 DFADRP CC[N@@H+]1CC[C@H](N(C)C(=O)Nc2ccccc2C[NH2+]C)[C@@H](C)C1 ZINC000415912464 428625536 /nfs/dbraw/zinc/62/55/36/428625536.db2.gz LITAQHJJXJLUJN-YOEHRIQHSA-N 2 0 318.465 2.600 20 0 DFADRP C[N@@H+]1CC[C@H]([NH2+]CC[C@@H]2COc3ccccc3O2)[C@@H]2CCC[C@H]21 ZINC000353621318 428626566 /nfs/dbraw/zinc/62/65/66/428626566.db2.gz LYAFNIUDJHIGRB-LTIDMASMSA-N 2 0 316.445 2.679 20 0 DFADRP C[NH2+]Cc1cccc(NC(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)c1 ZINC000415919449 428626843 /nfs/dbraw/zinc/62/68/43/428626843.db2.gz NGBZLSVMLTVVHG-MRXNPFEDSA-N 2 0 320.481 2.894 20 0 DFADRP CC[NH2+]Cc1ccccc1NC(=O)N[C@@H](C)C1=CC[N@H+](C)CC1 ZINC000415920734 428627137 /nfs/dbraw/zinc/62/71/37/428627137.db2.gz PGYHBMBEPBJTCN-AWEZNQCLSA-N 2 0 316.449 2.568 20 0 DFADRP C[NH2+]Cc1cccc(NC(=O)N[C@H](C)C[N@@H+]2CCC[C@@H](C)C2)c1 ZINC000415924924 428627789 /nfs/dbraw/zinc/62/77/89/428627789.db2.gz ZFWFKYWZYANODR-HUUCEWRRSA-N 2 0 318.465 2.648 20 0 DFADRP C[NH2+]Cc1cccc(NC(=O)NC[C@H](C)[N@@H+]2CCCC[C@H]2C)c1 ZINC000415934602 428630063 /nfs/dbraw/zinc/63/00/63/428630063.db2.gz RPBBBKFKZPMEAZ-CABCVRRESA-N 2 0 318.465 2.790 20 0 DFADRP CSC1(C[NH2+]C2CC(OC(C)(C)C)C2)CC[NH+](C)CC1 ZINC000353631388 428630191 /nfs/dbraw/zinc/63/01/91/428630191.db2.gz PYODDROLNOQWJK-UHFFFAOYSA-N 2 0 300.512 2.750 20 0 DFADRP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+][C@H](C)c1cncc(F)c1 ZINC000344338295 428630484 /nfs/dbraw/zinc/63/04/84/428630484.db2.gz WYHOUMSNELARMU-GFCCVEGCSA-N 2 0 311.364 2.961 20 0 DFADRP CSC1(C[NH2+][C@@H]2[C@H]3CCCO[C@H]3C2(C)C)CC[NH+](C)CC1 ZINC000353633940 428631149 /nfs/dbraw/zinc/63/11/49/428631149.db2.gz YFYABMSWGVRTOM-RBSFLKMASA-N 2 0 312.523 2.607 20 0 DFADRP CC[NH2+]Cc1cccc(NC(=O)NCCCC[N@H+](C)C2CC2)c1 ZINC000415934389 428631161 /nfs/dbraw/zinc/63/11/61/428631161.db2.gz PWIMDDRFFOFNDM-UHFFFAOYSA-N 2 0 318.465 2.792 20 0 DFADRP CC[NH2+]Cc1ccccc1NC(=O)NCC[C@@H]1CCC[N@H+](C)C1 ZINC000415936909 428631234 /nfs/dbraw/zinc/63/12/34/428631234.db2.gz XKPWORMDTOBNMW-HNNXBMFYSA-N 2 0 318.465 2.650 20 0 DFADRP COc1cccc(COCC[NH2+][C@@H]2CC[N@H+](C)[C@H]3CCC[C@@H]32)c1 ZINC000353629468 428631219 /nfs/dbraw/zinc/63/12/19/428631219.db2.gz FZDCIJNGKKMXPV-QRVBRYPASA-N 2 0 318.461 2.674 20 0 DFADRP CC[NH2+]Cc1cccc(NC(=O)N2CC[NH+](CC(C)C)CC2)c1 ZINC000415937138 428631738 /nfs/dbraw/zinc/63/17/38/428631738.db2.gz WDZZDDAYBFUYST-UHFFFAOYSA-N 2 0 318.465 2.602 20 0 DFADRP CC[N@@H+]1CC[C@H](N(C)C(=O)Nc2cccc(C[NH2+]C)c2)[C@H](C)C1 ZINC000415947645 428632681 /nfs/dbraw/zinc/63/26/81/428632681.db2.gz WYSLSAKGQOGNDB-PBHICJAKSA-N 2 0 318.465 2.600 20 0 DFADRP C[NH2+]Cc1ccc(NC(=O)N[C@@H](C)C[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000415970494 428637037 /nfs/dbraw/zinc/63/70/37/428637037.db2.gz IFZQVWFABIARGG-GJZGRUSLSA-N 2 0 318.465 2.648 20 0 DFADRP CCC[N@H+](CC)C[C@@H](C)NC(=O)Nc1ccc(C[NH2+]C)cc1 ZINC000415987032 428641086 /nfs/dbraw/zinc/64/10/86/428641086.db2.gz WDCIKDQWDFXRBJ-CQSZACIVSA-N 2 0 306.454 2.648 20 0 DFADRP C[C@@H]1C[C@H]([NH2+]C[C@@](C)(O)C2CC2)CCN1Cc1ccccc1 ZINC000358720767 428642167 /nfs/dbraw/zinc/64/21/67/428642167.db2.gz VTWXNJGTWDIMMT-ATZDWAIDSA-N 2 0 302.462 2.790 20 0 DFADRP CC[N@H+](Cc1ccc(C(=O)N2CCN(C)C[C@@H]2C)cc1)C(C)C ZINC000344403711 428636191 /nfs/dbraw/zinc/63/61/91/428636191.db2.gz AOXKGDCEEPVPRG-INIZCTEOSA-N 2 0 317.477 2.693 20 0 DFADRP CC[N@H+](CCC1CC[NH+](CCN2CCCC2=O)CC1)CC(C)C ZINC000358738076 428650641 /nfs/dbraw/zinc/65/06/41/428650641.db2.gz RNEHNJWNMXGVPQ-UHFFFAOYSA-N 2 0 323.525 2.689 20 0 DFADRP Cc1cc(N(C)C[C@H]2CCC[N@H+](C)[C@H]2c2ccnn2C)cc[nH+]1 ZINC000344444251 428644291 /nfs/dbraw/zinc/64/42/91/428644291.db2.gz FGXJOCHMRGUDJO-CRAIPNDOSA-N 2 0 313.449 2.643 20 0 DFADRP CCc1cccc(F)c1C[N@H+]1CC[C@H](N2CC[NH+](CC)CC2)C1 ZINC000353664504 428645932 /nfs/dbraw/zinc/64/59/32/428645932.db2.gz XFHQSORHDSJEKJ-KRWDZBQOSA-N 2 0 319.468 2.600 20 0 DFADRP COc1cccc(OCCC[NH2+][C@@H]2C[C@@H](C)[N@H+](C)C[C@H]2C)c1 ZINC000090060613 274148353 /nfs/dbraw/zinc/14/83/53/274148353.db2.gz APLAOMZAHAFQLF-IIDMSEBBSA-N 2 0 306.450 2.782 20 0 DFADRP CC(C)OC(=O)C[C@H]1CCC[N@H+](CC[C@@H]2CCCC[NH+]2C)C1 ZINC000362194715 428658077 /nfs/dbraw/zinc/65/80/77/428658077.db2.gz KBAJWKWKMDVAOD-SJORKVTESA-N 2 0 310.482 2.915 20 0 DFADRP C[C@@H](O)CC[N@@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000309698857 274265332 /nfs/dbraw/zinc/26/53/32/274265332.db2.gz FJZGFZFDTXLLHL-QGZVFWFLSA-N 2 0 302.462 2.745 20 0 DFADRP C(CC[N@@H+]1C[C@@H]2C[NH+]3CCCC[C@H]3[C@H]2C1)CC1CCOCC1 ZINC000374155070 428666143 /nfs/dbraw/zinc/66/61/43/428666143.db2.gz AASQGWCNUYWOPP-QYZOEREBSA-N 2 0 306.494 2.999 20 0 DFADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]CC[C@@H]1COc2ccccc2O1 ZINC000358304107 274340558 /nfs/dbraw/zinc/34/05/58/274340558.db2.gz SERJPHQNIHGPEH-KLHDSHLOSA-N 2 0 304.434 2.535 20 0 DFADRP C[N@H+](C[C@@H]1CC12CC[NH+](CCOCC(F)(F)F)CC2)C1CC1 ZINC000374298139 428672558 /nfs/dbraw/zinc/67/25/58/428672558.db2.gz UARKGAPNRLNHIK-ZDUSSCGKSA-N 2 0 320.399 2.762 20 0 DFADRP CC(C)[N@H+](C)CCCNC(=O)C[C@H](c1ccccc1)[NH+](C)C ZINC000416130397 428673034 /nfs/dbraw/zinc/67/30/34/428673034.db2.gz IRBYRBXABULZQG-QGZVFWFLSA-N 2 0 305.466 2.526 20 0 DFADRP C[C@@H]1C[C@@H](c2nc(-c3ccc(C[NH+](C)C)cc3)no2)CC[N@@H+]1C ZINC000362310423 428698227 /nfs/dbraw/zinc/69/82/27/428698227.db2.gz YTSLBONEVKZABJ-CJNGLKHVSA-N 2 0 314.433 2.996 20 0 DFADRP CC(C)CSCC[NH2+][C@@H]1CC[N@H+](C[C@H]2CCCO2)C[C@@H]1C ZINC000362310686 428698321 /nfs/dbraw/zinc/69/83/21/428698321.db2.gz UZYVQXQOFKXYFN-GVDBMIGSSA-N 2 0 314.539 2.855 20 0 DFADRP CC[C@H]1C[N@H+](CC)CCN1C(=O)C[C@H](c1ccccc1)[NH+](C)C ZINC000416242215 428698642 /nfs/dbraw/zinc/69/86/42/428698642.db2.gz FHXIWBNUZWEZKP-ZWKOTPCHSA-N 2 0 317.477 2.622 20 0 DFADRP C[N@@H+]1CCC[C@H]1CCN1C[C@@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000348306000 428699379 /nfs/dbraw/zinc/69/93/79/428699379.db2.gz LLCFWVXAOKAFPH-ZCNNSNEGSA-N 3 0 313.489 2.535 20 0 DFADRP CC1CC[NH+](C2CCC([NH2+]Cc3cnc(N)s3)CC2)CC1 ZINC000344836379 428709431 /nfs/dbraw/zinc/70/94/31/428709431.db2.gz JVUSGABAHWEUCV-UHFFFAOYSA-N 2 0 308.495 2.858 20 0 DFADRP COc1cc([C@H](C)[NH2+]CCN2CC[N@H+](C)C(C)(C)C2)ccc1F ZINC000348355951 428717810 /nfs/dbraw/zinc/71/78/10/428717810.db2.gz NDDBVBQKZCSLHP-AWEZNQCLSA-N 2 0 323.456 2.511 20 0 DFADRP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+](CC1CCC1)[C@@H](C)CO ZINC000348356045 428718744 /nfs/dbraw/zinc/71/87/44/428718744.db2.gz NPJLIHHSWFDRGO-AWEZNQCLSA-N 2 0 314.433 2.559 20 0 DFADRP CCn1cc(CC[NH2+][C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)cn1 ZINC000348376062 428726508 /nfs/dbraw/zinc/72/65/08/428726508.db2.gz IYCRZYZPQBZYMN-NVXWUHKLSA-N 2 0 304.482 2.688 20 0 DFADRP C[C@H]1CCC[N@H+](CCCC[NH2+][C@@H]2CCCc3nn(C)cc32)C1 ZINC000358913646 428729243 /nfs/dbraw/zinc/72/92/43/428729243.db2.gz ITHXXKCDUWAVNH-DOTOQJQBSA-N 2 0 304.482 2.899 20 0 DFADRP CCCC[N@H+](C)CCNC(=O)C[C@H](c1ccccc1)[NH+](C)C ZINC000416159129 428678637 /nfs/dbraw/zinc/67/86/37/428678637.db2.gz MHURHIDSLWGOTD-QGZVFWFLSA-N 2 0 305.466 2.528 20 0 DFADRP CC[NH+](CC)CCOCC[NH2+][C@@H]1CSCCc2ccccc21 ZINC000348254122 428679773 /nfs/dbraw/zinc/67/97/73/428679773.db2.gz MNFCZMLDHCQTFA-GOSISDBHSA-N 2 0 322.518 2.965 20 0 DFADRP C[C@H]([NH2+][C@@H]1CCCN(C)[C@H]1C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000348258320 428681386 /nfs/dbraw/zinc/68/13/86/428681386.db2.gz AARYFQJTLCBBMX-QGZVKYPTSA-N 2 0 315.505 2.969 20 0 DFADRP CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)C[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC000416188342 428684721 /nfs/dbraw/zinc/68/47/21/428684721.db2.gz GYKWCVAPISKYBN-NXHRZFHOSA-N 2 0 317.477 2.524 20 0 DFADRP CC(C)[NH+]1CCC(O)(C[NH2+]C/C=C\c2ccc(F)cc2)CC1 ZINC000344636454 428686580 /nfs/dbraw/zinc/68/65/80/428686580.db2.gz GOAYLKZVGBNFSR-ARJAWSKDSA-N 2 0 306.425 2.664 20 0 DFADRP CC(C)[C@@H](C(=O)NCCC[N@@H+]1CCCC[C@H]1C)[NH+]1CCCCC1 ZINC000358819912 428689576 /nfs/dbraw/zinc/68/95/76/428689576.db2.gz RYKVUMAVYVNTIY-MSOLQXFVSA-N 2 0 323.525 2.878 20 0 DFADRP C[N@@H+](Cc1nccs1)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000374837086 428760517 /nfs/dbraw/zinc/76/05/17/428760517.db2.gz IEVBZZKDAJLANQ-UHFFFAOYSA-N 2 0 302.447 2.887 20 0 DFADRP Cc1nn(Cc2ccccc2)c(C)c1C[NH2+]CC1=CC[N@H+](C)CC1 ZINC000345137307 428767242 /nfs/dbraw/zinc/76/72/42/428767242.db2.gz GJORVEXEUBFJSX-UHFFFAOYSA-N 2 0 324.472 2.900 20 0 DFADRP CCCNC(=O)CCC[N@@H+]1CCC[C@@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000411286891 428771841 /nfs/dbraw/zinc/77/18/41/428771841.db2.gz YGRKLJARFDILJZ-QZTJIDSGSA-N 2 0 323.525 2.879 20 0 DFADRP C[C@H]([NH2+]CCCN1CC[NH+](Cc2ccccc2)CC1)C1CCC1 ZINC000353911882 428774780 /nfs/dbraw/zinc/77/47/80/428774780.db2.gz GYMSNLYCEVEZIH-SFHVURJKSA-N 2 0 315.505 2.973 20 0 DFADRP C[C@@H]1C[N@@H+](CCC2CC[NH+](CCC3(O)CCC3)CC2)C[C@H](C)O1 ZINC000411313158 428775148 /nfs/dbraw/zinc/77/51/48/428775148.db2.gz XCJBUFZWZQFAMN-CALCHBBNSA-N 2 0 324.509 2.503 20 0 DFADRP CN(c1nc(CN2CCC[C@H](c3ncc[nH]3)C2)cs1)C1CC1 ZINC000362513856 428778640 /nfs/dbraw/zinc/77/86/40/428778640.db2.gz WRORNXHGZODHNL-LBPRGKRZSA-N 2 0 317.462 2.844 20 0 DFADRP C[N@H+]1CC=C(C[NH2+]Cc2cnc(-c3ccccn3)s2)CC1 ZINC000345172681 428783579 /nfs/dbraw/zinc/78/35/79/428783579.db2.gz LGJNNCHPTWEHDH-UHFFFAOYSA-N 2 0 300.431 2.557 20 0 DFADRP COC(=O)C[C@@H]1CC[C@H]([NH2+]CCC[N@H+]2C[C@H](C)C[C@H](C)C2)[C@H]1C ZINC000353934842 428784259 /nfs/dbraw/zinc/78/42/59/428784259.db2.gz YOZOQGHNYIHICC-ADHGMGHFSA-N 2 0 324.509 2.922 20 0 DFADRP C[C@H]([NH2+]CCN1CC[NH+](Cc2ccccc2)CC1)C1CCC1 ZINC000353943379 428786476 /nfs/dbraw/zinc/78/64/76/428786476.db2.gz ILUOOJVZPPINJN-KRWDZBQOSA-N 2 0 301.478 2.582 20 0 DFADRP CCCNC(=O)CCC[NH+]1CCC(CCC[NH+]2CCCC2)CC1 ZINC000411402328 428791369 /nfs/dbraw/zinc/79/13/69/428791369.db2.gz ZYNRYECEAOMULQ-UHFFFAOYSA-N 2 0 323.525 2.881 20 0 DFADRP C[C@@H]1CN(CC[NH+]2CCCCC2)CC[N@@H+]1Cc1ccccc1 ZINC000411118080 428742992 /nfs/dbraw/zinc/74/29/92/428742992.db2.gz NBTDVJFAAVFIPJ-GOSISDBHSA-N 2 0 301.478 2.679 20 0 DFADRP CC(CC[NH+]1C[C@@H](C)O[C@@H](C)C1)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000411127035 428743746 /nfs/dbraw/zinc/74/37/46/428743746.db2.gz PGQHSZITKJQJJM-USTZCAOPSA-N 2 0 312.498 2.621 20 0 DFADRP COC(=O)[C@H](C)C[N@H+](C)Cc1cccc(C[NH+]2CCCCC2)c1 ZINC000411169965 428752279 /nfs/dbraw/zinc/75/22/79/428752279.db2.gz FZLDIQMHVTWYTN-MRXNPFEDSA-N 2 0 318.461 2.913 20 0 DFADRP CC[C@@H]1C[N@H+](Cc2ccc(C[NH+]3CCCCC3)cc2)C[C@H]1O ZINC000411427075 428796302 /nfs/dbraw/zinc/79/63/02/428796302.db2.gz QDDSUACYWZKIRE-RTBURBONSA-N 2 0 302.462 2.875 20 0 DFADRP CC[C@H]1C[N@H+](Cc2cccc(C[NH+]3CCCCC3)c2)C[C@H]1O ZINC000411424752 428796772 /nfs/dbraw/zinc/79/67/72/428796772.db2.gz NQEVYSYXPWYKJI-RBUKOAKNSA-N 2 0 302.462 2.875 20 0 DFADRP CCCC[N@@H+]1CCCC[C@H]1CNC(=O)[C@H](CC)[NH+](CC)CC ZINC000345198835 428797239 /nfs/dbraw/zinc/79/72/39/428797239.db2.gz BGEHPKYAUZARKO-IRXDYDNUSA-N 2 0 311.514 2.878 20 0 DFADRP CC(C)C[N@@H+]1CC[C@@H](CNC(=O)[C@H](C(C)C)[NH+]2CCCCC2)C1 ZINC000362646446 428797346 /nfs/dbraw/zinc/79/73/46/428797346.db2.gz KPBHFNOFZDZPFP-ROUUACIJSA-N 2 0 323.525 2.591 20 0 DFADRP OC[C@@H]1CSCC[N@@H+]1Cc1cccc(C[NH+]2CCCCC2)c1 ZINC000411425458 428797976 /nfs/dbraw/zinc/79/79/76/428797976.db2.gz MLMKUQLRNUQMDE-GOSISDBHSA-N 2 0 320.502 2.582 20 0 DFADRP CC(C)[NH+]1CCC(NC(=O)C[NH2+][C@@H](C)C2CCCCC2)CC1 ZINC000411449493 428799648 /nfs/dbraw/zinc/79/96/48/428799648.db2.gz CYPZUXPKCGWCKI-HNNXBMFYSA-N 2 0 309.498 2.534 20 0 DFADRP CC[N@@H+]1CC[C@H]([NH+](C)CCOCCOc2ccccc2)[C@@H](C)C1 ZINC000348632261 428800278 /nfs/dbraw/zinc/80/02/78/428800278.db2.gz DFJGFABXWKSDRY-HKUYNNGSSA-N 2 0 320.477 2.744 20 0 DFADRP C[C@@H]1CC[N@H+](Cc2ccc(C[NH+]3CCCCC3)cc2)C[C@@H]1O ZINC000411456174 428800800 /nfs/dbraw/zinc/80/08/00/428800800.db2.gz YWZMTACGGRYDPS-APWZRJJASA-N 2 0 302.462 2.875 20 0 DFADRP C[C@@H](O)[C@H]1CC[N@H+](Cc2cccc(C[NH+]3CCCCC3)c2)C1 ZINC000411500029 428806202 /nfs/dbraw/zinc/80/62/02/428806202.db2.gz SAWHBKUKCGMVGV-APWZRJJASA-N 2 0 302.462 2.875 20 0 DFADRP C[C@H](O)[C@@H]1CC[N@H+](Cc2cccc(C[NH+]3CCCCC3)c2)C1 ZINC000411500034 428808777 /nfs/dbraw/zinc/80/87/77/428808777.db2.gz SAWHBKUKCGMVGV-QFBILLFUSA-N 2 0 302.462 2.875 20 0 DFADRP CCC[N@H+](C)C[C@@H]1CCN(C(=O)c2ccccc2C[NH+](C)C)C1 ZINC000362894790 428811212 /nfs/dbraw/zinc/81/12/12/428811212.db2.gz RBFFZPXRRIRXBG-INIZCTEOSA-N 2 0 317.477 2.552 20 0 DFADRP C[C@@H]([NH2+]CCC(=O)OC(C)(C)C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000411515679 428811216 /nfs/dbraw/zinc/81/12/16/428811216.db2.gz IGFCAYXGLBPHAQ-HUUCEWRRSA-N 2 0 310.482 2.961 20 0 DFADRP C[C@H]([NH2+][C@@H]1CCCCC[C@@H]1O)c1ccc(OCC[NH+](C)C)cc1 ZINC000348684340 428812771 /nfs/dbraw/zinc/81/27/71/428812771.db2.gz PDHPZPWCAZKGKT-IPELMVKDSA-N 2 0 320.477 2.971 20 0 DFADRP CC[C@@H](C[NH2+]C1CCN(CCC(F)(F)F)CC1)N1CCCC1 ZINC000359100970 428816192 /nfs/dbraw/zinc/81/61/92/428816192.db2.gz BURUONQUVIUHRM-HNNXBMFYSA-N 2 0 321.431 2.867 20 0 DFADRP Cc1cn2cc(NC(=O)[C@H]3CCN3Cc3ccccc3)ccc2n1 ZINC000345255344 428816496 /nfs/dbraw/zinc/81/64/96/428816496.db2.gz UJQWADVVXYHWOC-QGZVFWFLSA-N 2 0 320.396 2.856 20 0 DFADRP C[C@@H]1C[N@H+](Cc2ccc(C[NH+]3CCCCC3)cc2)CC[C@H]1O ZINC000411568507 428819696 /nfs/dbraw/zinc/81/96/96/428819696.db2.gz LBKIJANSAYASSG-VQIMIIECSA-N 2 0 302.462 2.875 20 0 DFADRP CO[C@@H]1C[N@H+](Cc2cccc(C[NH+]3CCCCC3)c2)C[C@@H]1OC ZINC000411628516 428828404 /nfs/dbraw/zinc/82/84/04/428828404.db2.gz VKAFJGFNOLYLSQ-KDURUIRLSA-N 2 0 318.461 2.518 20 0 DFADRP CN1CC[NH+](CC2(C)CC[NH+](Cc3cccc(F)c3)CC2)CC1 ZINC000375234762 428829665 /nfs/dbraw/zinc/82/96/65/428829665.db2.gz UBHGPGYGDWMCGT-UHFFFAOYSA-N 2 0 319.468 2.675 20 0 DFADRP CC1(C)C[N@H+](Cc2ccc(C[NH+]3CCCCC3)cc2)C[C@H]1O ZINC000411675632 428839941 /nfs/dbraw/zinc/83/99/41/428839941.db2.gz PELYZNJWPVKORP-GOSISDBHSA-N 2 0 302.462 2.875 20 0 DFADRP C[C@H]1CCCC[N@@H+]1CCCCNC(=O)NCC1([NH3+])CCCCC1 ZINC000417035484 428842033 /nfs/dbraw/zinc/84/20/33/428842033.db2.gz GUUNNNIUSZPPDZ-INIZCTEOSA-N 2 0 324.513 2.602 20 0 DFADRP C[C@@H]1[C@H](NC(=O)[C@@H](c2cccc(Cl)c2)N(C)C)CCC[N@@H+]1C ZINC000345317902 428842220 /nfs/dbraw/zinc/84/22/20/428842220.db2.gz KWBNYVQXWRFOTB-DAXOMENPSA-N 2 0 323.868 2.542 20 0 DFADRP CC[N@@H+]1CCC[C@H]1CNC(=O)[C@H](c1cccc(Cl)c1)N(C)C ZINC000348799415 428842922 /nfs/dbraw/zinc/84/29/22/428842922.db2.gz JZGZHXIONJFISW-HOTGVXAUSA-N 2 0 323.868 2.543 20 0 DFADRP CC(C)[C@@H](C(=O)NCC1(C[NH+](C)C)CCCC1)[NH+]1CCCCC1 ZINC000354083120 428854243 /nfs/dbraw/zinc/85/42/43/428854243.db2.gz MKFBSKJJORJHRV-KRWDZBQOSA-N 2 0 323.525 2.735 20 0 DFADRP CC(C)[C@H](C(=O)N1CCC(C[NH+]2CCC(C)CC2)CC1)[NH+](C)C ZINC000363092884 428855423 /nfs/dbraw/zinc/85/54/23/428855423.db2.gz PLWZGMGIZUEYQI-GOSISDBHSA-N 2 0 323.525 2.543 20 0 DFADRP CCC[NH+]1CCN(c2ccccc2C[N@H+](C)C[C@@H](C)OC)CC1 ZINC000348833959 428855463 /nfs/dbraw/zinc/85/54/63/428855463.db2.gz ONNJZOXESXBIOA-QGZVFWFLSA-N 2 0 319.493 2.685 20 0 DFADRP CCCCNC(=O)C1([NH2+]CCC2CC[NH2+]CC2)CCCCC1 ZINC000359207120 428864002 /nfs/dbraw/zinc/86/40/02/428864002.db2.gz IRBNWNLZVGNCIU-UHFFFAOYSA-N 2 0 309.498 2.585 20 0 DFADRP CCN(CC)C(=O)C1([NH2+]CCC2CC[NH2+]CC2)CCCCC1 ZINC000359206006 428864789 /nfs/dbraw/zinc/86/47/89/428864789.db2.gz GZGVIJXBHJNANM-UHFFFAOYSA-N 2 0 309.498 2.537 20 0 DFADRP CCCCCC(=O)NC1CC[NH+](CCC2CC[NH2+]CC2)CC1 ZINC000359224966 428875049 /nfs/dbraw/zinc/87/50/49/428875049.db2.gz UMZSEZVPVOGJIA-UHFFFAOYSA-N 2 0 309.498 2.537 20 0 DFADRP C[NH+](C)[C@H]1CCN(CC(C)(C)C[N@H+](C)Cc2ccccc2)C1 ZINC000348965244 428888155 /nfs/dbraw/zinc/88/81/55/428888155.db2.gz LSFBHKIBONYQTB-SFHVURJKSA-N 2 0 303.494 2.781 20 0 DFADRP CCCC[NH+]1CCC([NH2+][C@@H]2CC[C@@H](CC(=O)OC)[C@H]2C)CC1 ZINC000354157759 428892314 /nfs/dbraw/zinc/89/23/14/428892314.db2.gz KMFYGAVVHRORTJ-HLLBOEOZSA-N 2 0 310.482 2.818 20 0 DFADRP CC[C@@H](C)NC(=O)CNC[C@H]1CCC[N@H+](C)[C@@H]1c1ccccc1 ZINC000375476351 428895924 /nfs/dbraw/zinc/89/59/24/428895924.db2.gz PEGDFFIWXHEYSX-SZVBFZGTSA-N 2 0 317.477 2.574 20 0 DFADRP CC(C)N(C)C(=O)[C@H](C)[NH+]1CCC(C[NH+]2CCC(C)CC2)CC1 ZINC000363308540 428900867 /nfs/dbraw/zinc/90/08/67/428900867.db2.gz GAZYXBKTGSXSLO-KRWDZBQOSA-N 2 0 323.525 2.686 20 0 DFADRP Cc1ncc(CN2CC[C@@H]([NH2+]CCOC(C)C)[C@@H](C)C2)s1 ZINC000375512792 428901338 /nfs/dbraw/zinc/90/13/38/428901338.db2.gz SPULIGFAAJURKO-XJKSGUPXSA-N 2 0 311.495 2.677 20 0 DFADRP CN(CC[N@H+](C)C[C@@H]1C[C@H]1c1ccccc1)C1CC[NH+](C)CC1 ZINC000349034677 428904129 /nfs/dbraw/zinc/90/41/29/428904129.db2.gz FCOHKGKIJWVMFQ-ICSRJNTNSA-N 2 0 315.505 2.748 20 0 DFADRP OCc1ccccc1C1CC[NH+](CCC[NH+]2CCCC2)CC1 ZINC000375569211 428912374 /nfs/dbraw/zinc/91/23/74/428912374.db2.gz GZFBDHGWOOYTOK-UHFFFAOYSA-N 2 0 302.462 2.844 20 0 DFADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@H](c1ccco1)[NH+](CC)CC ZINC000349142044 428930220 /nfs/dbraw/zinc/93/02/20/428930220.db2.gz HBOJKJYFAWNAJN-HZPDHXFCSA-N 2 0 321.465 2.653 20 0 DFADRP Cn1ccnc1[C@H]1CC[N@H+](Cc2nccn2-c2ccccc2)C1 ZINC000349196995 428938009 /nfs/dbraw/zinc/93/80/09/428938009.db2.gz VLRUYUDKPVPKGH-HNNXBMFYSA-N 2 0 307.401 2.595 20 0 DFADRP CC(C)[C@@H]([NH2+]C[C@H]1CCCN1C)c1ccc2[nH]c(=O)oc2c1 ZINC000359375718 428944540 /nfs/dbraw/zinc/94/45/40/428944540.db2.gz SDFYJQPJNPJRKE-CZUORRHYSA-N 2 0 303.406 2.914 20 0 DFADRP C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)c1cccc(C[NH+](C)C)c1 ZINC000345583368 428946064 /nfs/dbraw/zinc/94/60/64/428946064.db2.gz IBPVZPCKVKHODN-HNNXBMFYSA-N 2 0 317.477 2.551 20 0 DFADRP CC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@@H](C(C)C)[NH+]1CCC(C)CC1 ZINC000354273161 428949256 /nfs/dbraw/zinc/94/92/56/428949256.db2.gz RVHJHDJMVSYPGY-MSOLQXFVSA-N 2 0 323.525 2.734 20 0 DFADRP CCc1ccccc1CC[NH+]1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000375724719 428953718 /nfs/dbraw/zinc/95/37/18/428953718.db2.gz MSIXTJBEYGJKID-HXUWFJFHSA-N 2 0 315.505 2.503 20 0 DFADRP C[N@H+](CCCN1CC[NH+](C)CC1)Cc1cc2cc(F)ccc2o1 ZINC000349315126 428961251 /nfs/dbraw/zinc/96/12/51/428961251.db2.gz KFJRBDVQSYOQCS-UHFFFAOYSA-N 2 0 319.424 2.641 20 0 DFADRP COc1ccc2c(c1)C[C@H]([NH2+][C@@H]1CC[C@H]3C[NH2+]C[C@@H]3C1)CC2 ZINC000423548337 428968526 /nfs/dbraw/zinc/96/85/26/428968526.db2.gz QSZBLWKWBSYDLO-DZJNRPSUSA-N 2 0 300.446 2.530 20 0 DFADRP COc1ccc2c(c1)C[C@H]([NH2+][C@@H]1CC[C@@H]3C[NH2+]C[C@H]3C1)CC2 ZINC000423548339 428968803 /nfs/dbraw/zinc/96/88/03/428968803.db2.gz QSZBLWKWBSYDLO-VDHUWJSZSA-N 2 0 300.446 2.530 20 0 DFADRP C[C@H](N[C@H]1CCCC[NH2+]C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000423549625 428970517 /nfs/dbraw/zinc/97/05/17/428970517.db2.gz HXFDMMSVDPBEDK-UHOSZYNNSA-N 2 0 301.478 2.629 20 0 DFADRP c1ccc([C@H]([NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)c2ccncn2)cc1 ZINC000423555608 428970981 /nfs/dbraw/zinc/97/09/81/428970981.db2.gz YDIDKHCMOWLYNC-MTNOOBJLSA-N 2 0 308.429 2.544 20 0 DFADRP Cc1cc(C[NH+](C)C)cc(NC(=O)C[C@@H]2CCCC[C@H]2[NH3+])c1 ZINC000423778305 429017423 /nfs/dbraw/zinc/01/74/23/429017423.db2.gz CRNPVEBUSMHQTQ-DOTOQJQBSA-N 2 0 303.450 2.903 20 0 DFADRP C[C@H]1CC[NH2+][C@H](C(=O)Nc2cccc(CC[NH+]3CCCC3)c2)C1 ZINC000423782580 429018085 /nfs/dbraw/zinc/01/80/85/429018085.db2.gz ZIQBWACLHFSHGZ-YJBOKZPZSA-N 2 0 315.461 2.652 20 0 DFADRP C[C@H](CNC(=O)c1ccccc1C[NH+](C)C)C[NH+]1CCCCC1 ZINC000433302798 429020989 /nfs/dbraw/zinc/02/09/89/429020989.db2.gz JMMTVPDMAIFOGH-MRXNPFEDSA-N 2 0 317.477 2.600 20 0 DFADRP CCC[NH+]1CCN(C2CC[NH+](CCSC(C)C)CC2)CC1 ZINC000375965332 429030187 /nfs/dbraw/zinc/03/01/87/429030187.db2.gz XGPAKJFCEWFYRN-UHFFFAOYSA-N 2 0 313.555 2.620 20 0 DFADRP C[C@H]([NH2+]CC1(N)CC[NH+](Cc2ccccc2)CC1)c1cccnc1 ZINC000423579893 428975996 /nfs/dbraw/zinc/97/59/96/428975996.db2.gz WVFURDQEOJAFDM-KRWDZBQOSA-N 2 0 324.472 2.726 20 0 DFADRP C[C@@H](C(=O)N(CC[NH+](C)C)C1CCCC1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000412198405 428980340 /nfs/dbraw/zinc/98/03/40/428980340.db2.gz WRWVOMBUJYKTKI-XHSDSOJGSA-N 2 0 309.498 2.581 20 0 DFADRP CC(C)c1nccn1[C@H]1CCCN(Cc2cn3cccnc3n2)C1 ZINC000375811704 428982653 /nfs/dbraw/zinc/98/26/53/428982653.db2.gz INOGYRCDCQHVPO-INIZCTEOSA-N 2 0 324.432 2.886 20 0 DFADRP CCC[C@H](C(=O)N[C@@H](C[NH3+])c1ccc2ccccc2c1)[NH+](C)C ZINC000423612804 428983373 /nfs/dbraw/zinc/98/33/73/428983373.db2.gz OQXUKCFTGFVGAG-ZWKOTPCHSA-N 2 0 313.445 2.686 20 0 DFADRP C[C@H](C(=O)N[C@H]1CCCC[C@H]1C)N1CCC2(CCC[N@@H+]2C)CC1 ZINC000375816063 428985088 /nfs/dbraw/zinc/98/50/88/428985088.db2.gz QMBWIHJCKXZRRU-ZACQAIPSSA-N 2 0 321.509 2.630 20 0 DFADRP Cc1ccc([C@@H]([NH2+]C[C@@H](C)CN2CC[NH+](C)CC2)C2CCC2)o1 ZINC000349448753 428988505 /nfs/dbraw/zinc/98/85/05/428988505.db2.gz FEGBXQQFMQGMBL-BEFAXECRSA-N 2 0 319.493 2.902 20 0 DFADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]CC1(CO)CC(c2ccccc2)C1 ZINC000433085243 428991877 /nfs/dbraw/zinc/99/18/77/428991877.db2.gz UDMCLXLHUQFCRH-LUMCNRMDSA-N 2 0 316.489 2.861 20 0 DFADRP C[C@H]1C[C@H]([NH2+]CC2(CO)CC(c3ccccc3)C2)CC[N@@H+]1C ZINC000433086005 428994303 /nfs/dbraw/zinc/99/43/03/428994303.db2.gz YGLACKUWKDMPPC-WEOZKBJRSA-N 2 0 302.462 2.615 20 0 DFADRP C[N@@H+]1CC[C@H]([NH2+]Cc2cccc(Cn3cccn3)c2)[C@@H]2CCC[C@H]21 ZINC000375850738 428995063 /nfs/dbraw/zinc/99/50/63/428995063.db2.gz JZKOYTKTUVTRGH-SLFFLAALSA-N 2 0 324.472 2.894 20 0 DFADRP Cc1ccc(C[NH+]2CCC(C)(C[NH+]3CCN(C)CC3)CC2)cc1 ZINC000363790796 428995397 /nfs/dbraw/zinc/99/53/97/428995397.db2.gz GPOGGUXUNYOAIJ-UHFFFAOYSA-N 2 0 315.505 2.845 20 0 DFADRP CC(C)[C@H]1CC[C@@H](C)C[C@@H]1NC(=O)CCC[NH+]1CCC([NH3+])CC1 ZINC000433112819 428995439 /nfs/dbraw/zinc/99/54/39/428995439.db2.gz CGLZLXNREMGGLZ-NXHRZFHOSA-N 2 0 323.525 2.767 20 0 DFADRP C[C@@H](CN1CC[NH+](C)CC1)[NH2+][C@H]1CCCc2c(Cl)cccc21 ZINC000349492922 428995974 /nfs/dbraw/zinc/99/59/74/428995974.db2.gz HDUGBIFLBKHFBB-KSSFIOAISA-N 2 0 321.896 2.943 20 0 DFADRP CC(C)(C)c1cnc(NC(=O)CCC[NH+]2CCC([NH3+])CC2)s1 ZINC000433125285 428997124 /nfs/dbraw/zinc/99/71/24/428997124.db2.gz JACCOUFMLCQNQF-UHFFFAOYSA-N 2 0 324.494 2.582 20 0 DFADRP CC[C@@H](C(=O)N[C@H](C)CCCC[NH3+])[N@H+](C)Cc1ccccc1 ZINC000423695040 428998004 /nfs/dbraw/zinc/99/80/04/428998004.db2.gz LBTSAWLCWOMHGN-WBVHZDCISA-N 2 0 305.466 2.531 20 0 DFADRP C[C@@H](c1ccc(F)cc1)N(C)C(=O)CCC[NH+]1CCC([NH3+])CC1 ZINC000433133747 428998272 /nfs/dbraw/zinc/99/82/72/428998272.db2.gz ZRAOVMQVEYGPIN-AWEZNQCLSA-N 2 0 321.440 2.548 20 0 DFADRP Cc1cc([C@H](C)NC(=O)CCC[NH+]2CCC([NH3+])CC2)ccc1F ZINC000433129078 428998564 /nfs/dbraw/zinc/99/85/64/428998564.db2.gz YHVUHUCWYHYTLS-AWEZNQCLSA-N 2 0 321.440 2.515 20 0 DFADRP COc1cccc(OCCC[NH2+][C@@H]2CC[N@H+](C)[C@H]3CCC[C@@H]32)c1 ZINC000375855042 428998747 /nfs/dbraw/zinc/99/87/47/428998747.db2.gz YAWSAGKSSUVGMN-QRVBRYPASA-N 2 0 318.461 2.927 20 0 DFADRP CC(C)[C@@H](C[NH3+])C(=O)NC1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000433129437 428998894 /nfs/dbraw/zinc/99/88/94/428998894.db2.gz NXYPMLCBJJZJPP-MAUKXSAKSA-N 2 0 317.477 2.559 20 0 DFADRP Cc1ccc([C@@H](C)N(C)C(=O)CCC[NH+]2CCC([NH3+])CC2)cc1 ZINC000433168201 429003285 /nfs/dbraw/zinc/00/32/85/429003285.db2.gz LXKLMZYSIQBQTF-MRXNPFEDSA-N 2 0 317.477 2.718 20 0 DFADRP C[C@@H]1CC[C@@H](C)[NH+]1[C@@H]1CCCN(C(=O)CCC2CC[NH2+]CC2)C1 ZINC000423725902 429005594 /nfs/dbraw/zinc/00/55/94/429005594.db2.gz IXBGWEGPKNFLKD-JFIYKMOQSA-N 2 0 321.509 2.630 20 0 DFADRP CC(C)[C@@H](C(=O)N[C@@H](C)C[N@@H+]1CCC[C@@H](C)C1)[NH+]1CCCCC1 ZINC000354736549 429007159 /nfs/dbraw/zinc/00/71/59/429007159.db2.gz SOHVPCPWOQZONQ-SQNIBIBYSA-N 2 0 323.525 2.734 20 0 DFADRP CC1CC[NH+](CCCC[NH2+][C@@H]2CC[N@H+](C)[C@@H]3CCC[C@H]32)CC1 ZINC000375892128 429007618 /nfs/dbraw/zinc/00/76/18/429007618.db2.gz XVIGEDBYFQCOAD-IPMKNSEASA-N 3 0 307.526 2.961 20 0 DFADRP OC1(C[N@@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)CCC1 ZINC000433180964 429008113 /nfs/dbraw/zinc/00/81/13/429008113.db2.gz WVQNBWKJFHDDHH-UHFFFAOYSA-N 2 0 314.473 2.890 20 0 DFADRP Cc1cc(C)cc(C[N@H+]2CC[C@H](N3CC[NH+](C(C)C)CC3)C2)c1 ZINC000375907090 429014234 /nfs/dbraw/zinc/01/42/34/429014234.db2.gz REAGBGBEUBGUCS-FQEVSTJZSA-N 2 0 315.505 2.904 20 0 DFADRP CC[NH2+]CC1CCN(C(=O)CC[C@@H]([NH3+])CC2CCCCC2)CC1 ZINC000424077030 429089240 /nfs/dbraw/zinc/08/92/40/429089240.db2.gz MYZLLIWZANKJHM-GOSISDBHSA-N 2 0 323.525 2.912 20 0 DFADRP CN1CC[C@H]([NH2+]C[C@@H]2CCC[C@H]([NH3+])C2)C[C@H]1c1ccccc1 ZINC000423465302 429091994 /nfs/dbraw/zinc/09/19/94/429091994.db2.gz HPJNPIXTFIQRDO-BVBHFADKSA-N 2 0 301.478 2.929 20 0 DFADRP C[C@@H]1C[C@H](NC[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)CC[N@@H+]1C ZINC000423470623 429092491 /nfs/dbraw/zinc/09/24/91/429092491.db2.gz LNGPUGDFEOTHCG-IWKCEXAMSA-N 2 0 319.468 2.591 20 0 DFADRP COC(=O)CCC[C@@H]1CCC[C@H]([NH2+]C[C@H]2CCC[C@H]([NH3+])C2)C1 ZINC000423463342 429092626 /nfs/dbraw/zinc/09/26/26/429092626.db2.gz FPXZWONIIPGVLN-QAETUUGQSA-N 2 0 310.482 2.996 20 0 DFADRP CC[C@H]([NH3+])CN[C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000423471678 429093294 /nfs/dbraw/zinc/09/32/94/429093294.db2.gz PVDULXPOVAPDHH-INDMIFKZSA-N 2 0 301.478 2.614 20 0 DFADRP [NH3+][C@@H]1CCC[C@@H](C[NH2+][C@@H](c2ncc[nH]2)c2ccc(F)cc2)C1 ZINC000423476083 429095271 /nfs/dbraw/zinc/09/52/71/429095271.db2.gz QJTLOBNKXSDPCJ-DAXOMENPSA-N 2 0 302.397 2.745 20 0 DFADRP [NH3+][C@H](CCC(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12)CC1CCCCC1 ZINC000424138163 429096095 /nfs/dbraw/zinc/09/60/95/429096095.db2.gz TXNONZIEKUGGIH-FGTMMUONSA-N 2 0 321.509 2.807 20 0 DFADRP COC1([C@H](C)[NH2+]CCC[N@@H+]2CCCO[C@H](C)C2)CCCCC1 ZINC000421859321 429040038 /nfs/dbraw/zinc/04/00/38/429040038.db2.gz SKAXTVVTWXWYEK-SJORKVTESA-N 2 0 312.498 2.815 20 0 DFADRP CC[C@@H]([NH3+])CN[C@H](C)c1ccc(OC)c(Br)c1 ZINC000423482212 429096488 /nfs/dbraw/zinc/09/64/88/429096488.db2.gz XHVACXGLADYJKB-MWLCHTKSSA-N 2 0 301.228 2.846 20 0 DFADRP [NH3+][C@H](CCC(=O)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1)CC1CCCCC1 ZINC000424131286 429096640 /nfs/dbraw/zinc/09/66/40/429096640.db2.gz JBSGORHNLDKCCU-FGTMMUONSA-N 2 0 321.509 2.807 20 0 DFADRP CC[N@@H+]1CC[C@@H](CNC(=O)CC[C@H]([NH3+])CC2CCCCC2)C1 ZINC000424132928 429096783 /nfs/dbraw/zinc/09/67/83/429096783.db2.gz LHOSIQXGDQRPEM-IRXDYDNUSA-N 2 0 309.498 2.522 20 0 DFADRP COc1ccc([C@H](C)[NH2+][C@H]2CCCC[C@@H]2C[NH3+])cc1NC(C)=O ZINC000423277533 429056402 /nfs/dbraw/zinc/05/64/02/429056402.db2.gz OJVWDKZIBYGVQG-MAZHCROVSA-N 2 0 319.449 2.822 20 0 DFADRP C[C@H]([NH3+])c1ccc(C[NH2+][C@@H]2CCO[C@H](C(F)(F)F)C2)cc1 ZINC000423290877 429057365 /nfs/dbraw/zinc/05/73/65/429057365.db2.gz FUHWQCQTYPHZHN-GDLCADMTSA-N 2 0 302.340 2.906 20 0 DFADRP C[C@H]([NH2+][C@@H]1CCC[C@H]1C[NH3+])c1cccc(N2CCCC2=O)c1 ZINC000423284749 429057433 /nfs/dbraw/zinc/05/74/33/429057433.db2.gz YHNZGBVVRDQLDU-JLJPHGGASA-N 2 0 301.434 2.591 20 0 DFADRP C[C@H]([NH2+]C[C@@H]1CCNCC1(F)F)c1cc(F)c(F)c(F)c1 ZINC000423482376 429096934 /nfs/dbraw/zinc/09/69/34/429096934.db2.gz QUBPPWDTXMAOPL-WPRPVWTQSA-N 2 0 308.294 2.999 20 0 DFADRP CCC[NH2+]CCN[C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000423319333 429062551 /nfs/dbraw/zinc/06/25/51/429062551.db2.gz ZWAMQDANVNDTCM-XUVXKRRUSA-N 2 0 315.505 2.876 20 0 DFADRP C[C@@H](Cc1ccc(F)cc1Br)[NH2+]C[C@H]([NH3+])C1CC1 ZINC000423311550 429063874 /nfs/dbraw/zinc/06/38/74/429063874.db2.gz BYPNQQKDWJNTJA-XPTSAGLGSA-N 2 0 315.230 2.846 20 0 DFADRP CC[C@H]([NH2+]C[C@@]1(C)CCC[NH2+]C1)c1ccc(C(=O)OC)cc1 ZINC000423328273 429065003 /nfs/dbraw/zinc/06/50/03/429065003.db2.gz DKDRHFCJMGDXTJ-WMZOPIPTSA-N 2 0 304.434 2.904 20 0 DFADRP Brc1ccccc1C[C@H]([NH2+]CC1C[NH2+]C1)C1CC1 ZINC000423323109 429065966 /nfs/dbraw/zinc/06/59/66/429065966.db2.gz OHJGUQBKSWNBSP-HNNXBMFYSA-N 2 0 309.251 2.579 20 0 DFADRP [NH3+]C1(C[NH2+][C@@H](Cc2ccccc2Cl)[C@@H]2CCCO2)CCC1 ZINC000423326957 429066090 /nfs/dbraw/zinc/06/60/90/429066090.db2.gz KVKKAGJKEDYBOW-HOTGVXAUSA-N 2 0 308.853 2.901 20 0 DFADRP C[C@H]([NH2+]C[C@]1(C)CCC[NH2+]C1)c1ccc(OCC[NH+](C)C)cc1 ZINC000423326423 429066129 /nfs/dbraw/zinc/06/61/29/429066129.db2.gz KMTGYDMHCKIJIV-QFBILLFUSA-N 3 0 319.493 2.667 20 0 DFADRP C[C@H](C(=O)N[C@H](CCC[NH3+])c1ccccc1)[NH+]1CCCCCC1 ZINC000423967441 429066558 /nfs/dbraw/zinc/06/65/58/429066558.db2.gz JJMWFKARQZPILE-SJLPKXTDSA-N 2 0 317.477 2.847 20 0 DFADRP CC[N@H+](Cc1ccc(C(=O)N[C@@H](C[NH3+])C(C)(C)C)cc1)C1CC1 ZINC000423966563 429066885 /nfs/dbraw/zinc/06/68/85/429066885.db2.gz ZNMFQTJYTYZFAY-KRWDZBQOSA-N 2 0 317.477 2.774 20 0 DFADRP C[C@H]([NH3+])c1ccc(C(=O)NC[C@@H](C2CCCCC2)[NH+](C)C)cc1 ZINC000423339816 429067466 /nfs/dbraw/zinc/06/74/66/429067466.db2.gz WYWMHAVNBORXCN-KSSFIOAISA-N 2 0 317.477 2.947 20 0 DFADRP COc1ccc([C@H](Cc2ccncc2)[NH2+]C[C@@H]2CC[NH2+]C2)cc1 ZINC000423339640 429067676 /nfs/dbraw/zinc/06/76/76/429067676.db2.gz LLNIFHHOXKTZIN-APWZRJJASA-N 2 0 311.429 2.573 20 0 DFADRP C[C@@H]([NH2+]CC1(C)CC[NH2+]CC1)c1cccc(N2CCOCC2)c1 ZINC000423334661 429068807 /nfs/dbraw/zinc/06/88/07/429068807.db2.gz QZFVZHHQXAAAGW-MRXNPFEDSA-N 2 0 317.477 2.564 20 0 DFADRP [NH3+]CC1(CC(=O)Nc2ccc(CC[NH+]3CCCCC3)cc2)CC1 ZINC000423344729 429070830 /nfs/dbraw/zinc/07/08/30/429070830.db2.gz FMTPYSXLLBLQGG-UHFFFAOYSA-N 2 0 315.461 2.783 20 0 DFADRP C[C@@H]([NH3+])c1ccc(C(=O)NC[C@]2([NH+](C)C)CCC[C@@H](C)C2)cc1 ZINC000423356620 429071199 /nfs/dbraw/zinc/07/11/99/429071199.db2.gz QYHLHZCTKJEZSY-CLCXKQKWSA-N 2 0 317.477 2.947 20 0 DFADRP Fc1ccc([C@H](C[C@H]2CCOC2)[NH2+]CC2=CC[NH2+]CC2)cc1 ZINC000423363395 429072021 /nfs/dbraw/zinc/07/20/21/429072021.db2.gz YQAMFVZTQSBJAY-QAPCUYQASA-N 2 0 304.409 2.803 20 0 DFADRP C[C@@H]([NH3+])c1ccc(C(=O)N(CC[NH+](C)C)c2ccccc2)cc1 ZINC000423368525 429074202 /nfs/dbraw/zinc/07/42/02/429074202.db2.gz ZYPAOHOQAGQUBV-OAHLLOKOSA-N 2 0 311.429 2.915 20 0 DFADRP C[N@@H+](Cc1ccc(OC[C@H]2CCCO2)cc1)C[C@@H]1CC[NH+](C)C1 ZINC000434183430 429075883 /nfs/dbraw/zinc/07/58/83/429075883.db2.gz NHKLKGBBSGAJMY-IEBWSBKVSA-N 2 0 318.461 2.628 20 0 DFADRP CC[C@H]([NH2+]C[C@H](N1CC[NH2+]CC1)C(F)(F)F)c1ccsc1 ZINC000423383083 429077158 /nfs/dbraw/zinc/07/71/58/429077158.db2.gz GNAWWEZNLCNDFC-STQMWFEESA-N 2 0 321.412 2.625 20 0 DFADRP CCC[NH+](CCC)CCCC(=O)N1CC[N@@H+](C2CC2)C[C@@H](C)C1 ZINC000452169988 429077700 /nfs/dbraw/zinc/07/77/00/429077700.db2.gz HLJTVEQFFHETLI-QGZVFWFLSA-N 2 0 323.525 2.831 20 0 DFADRP C[C@H]([NH2+]C[C@H](N1CC[NH2+]CC1)C(F)(F)F)C1CCCCCC1 ZINC000423388482 429078767 /nfs/dbraw/zinc/07/87/67/429078767.db2.gz MUBNBYKENRTBCM-ZFWWWQNUSA-N 2 0 321.431 2.771 20 0 DFADRP CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@@H]2CC[NH2+][C@@H](C)C2)c2ccccc21 ZINC000423391988 429079276 /nfs/dbraw/zinc/07/92/76/429079276.db2.gz XGBNAOGMIXEFOT-JFTQMJAMSA-N 2 0 316.445 2.898 20 0 DFADRP COCC1(C[NH2+][C@H](C)c2cnn(C(C)(C)C)c2C)CC[NH2+]CC1 ZINC000423403503 429082249 /nfs/dbraw/zinc/08/22/49/429082249.db2.gz HXJYRVJXIBCPOF-CQSZACIVSA-N 2 0 322.497 2.613 20 0 DFADRP C[C@H]([NH2+]C[C@@H]1C[NH2+]C[C@H]1O)c1ccc(C2CCCCC2)cc1 ZINC000423413096 429082956 /nfs/dbraw/zinc/08/29/56/429082956.db2.gz YBMIEAZRHDCKSB-ZOCIIQOWSA-N 2 0 302.462 2.965 20 0 DFADRP O[C@@H]1C[NH2+]C[C@H]1C[NH2+][C@@H](c1ccc(Cl)c(Cl)c1)C1CC1 ZINC000423411701 429083318 /nfs/dbraw/zinc/08/33/18/429083318.db2.gz VCQPMGLEKFCKTN-NILFDRSVSA-N 2 0 315.244 2.614 20 0 DFADRP COCC1(C[NH2+][C@H]2CC[C@@H](c3ccccc3)C2)CC[NH2+]CC1 ZINC000423411425 429083693 /nfs/dbraw/zinc/08/36/93/429083693.db2.gz UMZGJUMRLNQVOM-MSOLQXFVSA-N 2 0 302.462 2.929 20 0 DFADRP O[C@@H]1C[NH2+]C[C@H]1C[NH2+][C@H](c1ccc(Cl)c(Cl)c1)C1CC1 ZINC000423411699 429083777 /nfs/dbraw/zinc/08/37/77/429083777.db2.gz VCQPMGLEKFCKTN-GLQYFDAESA-N 2 0 315.244 2.614 20 0 DFADRP COCC1(C[NH2+][C@H]2CCCc3cc(F)ccc32)CC[NH2+]CC1 ZINC000423413681 429083929 /nfs/dbraw/zinc/08/39/29/429083929.db2.gz ZOLCWDGZQXYBAL-KRWDZBQOSA-N 2 0 306.425 2.809 20 0 DFADRP C[C@H]([NH3+])c1ccc(C(=O)N[C@H]2CC[N@H+](CC3CCCC3)C2)cc1 ZINC000423422183 429085272 /nfs/dbraw/zinc/08/52/72/429085272.db2.gz YNHXTZPIRWUZKM-KSSFIOAISA-N 2 0 315.461 2.701 20 0 DFADRP CN1CC[C@@H]([NH2+][C@@H]2C[C@H]2C2CC[NH2+]CC2)C[C@H]1c1ccccc1 ZINC000423424088 429086153 /nfs/dbraw/zinc/08/61/53/429086153.db2.gz CLJWLFNMPLHZAK-WCIQWLHISA-N 2 0 313.489 2.800 20 0 DFADRP CCC[N@H+](CC)CCNC(=O)C(C)(C)[C@H]([NH3+])c1ccccc1 ZINC000423433185 429086472 /nfs/dbraw/zinc/08/64/72/429086472.db2.gz MZNJMTDPJIEIJF-MRXNPFEDSA-N 2 0 305.466 2.561 20 0 DFADRP Cc1ccc([C@H]([NH2+]C[C@@H]2C[NH2+]C[C@@H]2O)C2CCCCC2)cc1 ZINC000423431438 429086844 /nfs/dbraw/zinc/08/68/44/429086844.db2.gz QNCFZHSSQKKRQJ-GBESFXJTSA-N 2 0 302.462 2.786 20 0 DFADRP C[C@@H]([NH2+]C[C@H]1CC[C@H](C[NH3+])CC1)c1ccccc1-n1ccnn1 ZINC000423433301 429086939 /nfs/dbraw/zinc/08/69/39/429086939.db2.gz XBJLTEZLINPEKF-BZUAXINKSA-N 2 0 313.449 2.683 20 0 DFADRP COCCOc1ccc([C@H](C)[NH2+][C@@H]2C[C@H]2C2CC[NH2+]CC2)cc1 ZINC000423431356 429087104 /nfs/dbraw/zinc/08/71/04/429087104.db2.gz IUOWYBRQHLOUBY-ZOCIIQOWSA-N 2 0 318.461 2.751 20 0 DFADRP Cc1nn(C)c2sc([C@@H](C)[NH2+][C@@H]3C[C@H]3C3CC[NH2+]CC3)cc12 ZINC000423427542 429087150 /nfs/dbraw/zinc/08/71/50/429087150.db2.gz FWQOBWCHYQFLKR-BYCMXARLSA-N 2 0 318.490 2.982 20 0 DFADRP C[C@H]([NH3+])c1ccc(C(=O)N(C)CC[C@@H]2CCCC[N@@H+]2C)cc1 ZINC000423434309 429087319 /nfs/dbraw/zinc/08/73/19/429087319.db2.gz KLWWTDFNAJRRLN-YOEHRIQHSA-N 2 0 303.450 2.653 20 0 DFADRP CC[NH+](CC)C[C@@H]1CCN(C(=O)c2ccc([C@H](C)[NH3+])cc2)C1 ZINC000423433487 429087449 /nfs/dbraw/zinc/08/74/49/429087449.db2.gz JVZARZAPEFBCPB-GJZGRUSLSA-N 2 0 303.450 2.510 20 0 DFADRP Cc1cc(C[NH3+])cc(NC(=O)NC[C@H]2CC[N@@H+](CC(C)C)C2)c1 ZINC000424434497 429143352 /nfs/dbraw/zinc/14/33/52/429143352.db2.gz JXUDUNOTCQROEN-OAHLLOKOSA-N 2 0 318.465 2.553 20 0 DFADRP CCSCC[NH2+]CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000363929799 429143922 /nfs/dbraw/zinc/14/39/22/429143922.db2.gz VRZWBZBUFCJQCV-UHFFFAOYSA-N 2 0 313.555 2.525 20 0 DFADRP Cc1ccnc(C)c1NC(=O)N(C)C[C@@H]1CCc2nccn2C1 ZINC000376607414 429148978 /nfs/dbraw/zinc/14/89/78/429148978.db2.gz XDJIIHWOMYSCRF-AWEZNQCLSA-N 2 0 313.405 2.621 20 0 DFADRP COc1cc2[nH+]ccc(N[C@@H]3CC[N@H+](C)[C@H](C)C3)c2cc1OC ZINC000413155890 429151509 /nfs/dbraw/zinc/15/15/09/429151509.db2.gz DEBISQVIXFQRIF-CHWSQXEVSA-N 2 0 315.417 2.569 20 0 DFADRP CCN(CC(=O)Nc1cc(C)ccc1C)[C@@H]1CCC[NH2+]CC1 ZINC000435616391 429152740 /nfs/dbraw/zinc/15/27/40/429152740.db2.gz SKOPUNREEVJGOZ-MRXNPFEDSA-N 2 0 303.450 2.706 20 0 DFADRP Nc1cccc(CN(Cc2ccccn2)[C@@H]2CCC[NH2+]CC2)c1 ZINC000435613876 429154088 /nfs/dbraw/zinc/15/40/88/429154088.db2.gz CUIVWJNPQZUEOL-LJQANCHMSA-N 2 0 310.445 2.808 20 0 DFADRP CC[N@H+](CCC1CC[NH+](C[C@@H](O)CSC)CC1)CC(C)C ZINC000494779193 429154395 /nfs/dbraw/zinc/15/43/95/429154395.db2.gz AIHCOCAWENOEFH-QGZVFWFLSA-N 2 0 316.555 2.790 20 0 DFADRP CC[N@H+](CCc1nc2ccccc2n1C)[C@@H]1CCC[NH2+]CC1 ZINC000435628080 429155017 /nfs/dbraw/zinc/15/50/17/429155017.db2.gz UAZXQEAWZTVHOV-OAHLLOKOSA-N 2 0 300.450 2.580 20 0 DFADRP C[NH2+]CCC1CCN(C(=O)CC[C@@H]([NH3+])CC2CCCCC2)CC1 ZINC000424139777 429098023 /nfs/dbraw/zinc/09/80/23/429098023.db2.gz DZUTYBUBWDKFBU-GOSISDBHSA-N 2 0 323.525 2.912 20 0 DFADRP [NH3+][C@H](CCC(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1)CC1CCCCC1 ZINC000424139826 429098655 /nfs/dbraw/zinc/09/86/55/429098655.db2.gz VQGLUQASPVCKSS-DLBZAZTESA-N 2 0 321.509 2.665 20 0 DFADRP CN(C(=O)CC[C@H]([NH3+])CC1CCCCC1)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000424141376 429099135 /nfs/dbraw/zinc/09/91/35/429099135.db2.gz CKNXYJYJXRAVNG-WMZOPIPTSA-N 2 0 321.509 2.759 20 0 DFADRP CC(=O)N1CC[C@@H]([NH2+]CCC[C@@H]2CCC[NH2+]2)c2ccccc2C1 ZINC000423491296 429099639 /nfs/dbraw/zinc/09/96/39/429099639.db2.gz YXSUWIIJVDJPOL-PKOBYXMFSA-N 2 0 315.461 2.602 20 0 DFADRP C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1[NH2+][C@H]1CC[C@@H](C[NH3+])C1 ZINC000423493443 429099853 /nfs/dbraw/zinc/09/98/53/429099853.db2.gz QBLOHOFQLUIQNG-YSHGAJCASA-N 2 0 301.478 2.614 20 0 DFADRP Clc1ccccc1C[C@H]([NH2+]C[C@H]1C[NH2+]CCCO1)C1CC1 ZINC000423496730 429100015 /nfs/dbraw/zinc/10/00/15/429100015.db2.gz XKFJDVBSEPISLR-WBVHZDCISA-N 2 0 308.853 2.629 20 0 DFADRP C[NH+]1CCC(CCNC(=O)CC[C@H]([NH3+])CC2CCCCC2)CC1 ZINC000424151654 429100788 /nfs/dbraw/zinc/10/07/88/429100788.db2.gz HJNYJVQZQVRMHO-SFHVURJKSA-N 2 0 323.525 2.912 20 0 DFADRP Cc1cc([C@@H](C)[NH2+]C2CCC(N3CC[NH2+]CC3)CC2)oc1C ZINC000423500351 429101854 /nfs/dbraw/zinc/10/18/54/429101854.db2.gz ABRQCJFLIHQWJD-ODIFPOPNSA-N 2 0 305.466 2.763 20 0 DFADRP FCCC[C@H]1CCC[C@H]1[NH2+]C1CCC([NH+]2CCNCC2)CC1 ZINC000423500505 429102256 /nfs/dbraw/zinc/10/22/56/429102256.db2.gz APKJWZZENOKYHK-AQEOSJORSA-N 2 0 311.489 2.711 20 0 DFADRP CC[C@@H](C)[N@H+](C)CCNC(=O)CC[C@H]([NH3+])CC1CCCCC1 ZINC000424164220 429102860 /nfs/dbraw/zinc/10/28/60/429102860.db2.gz YQRPJQAAZAUNTM-WBVHZDCISA-N 2 0 311.514 2.911 20 0 DFADRP C[C@@H]1Cc2ccccc2[C@H]1[NH2+]C1CCC([NH+]2CCNCC2)CC1 ZINC000423510514 429103643 /nfs/dbraw/zinc/10/36/43/429103643.db2.gz MMRIKDLWASYYAN-GIESBBMHSA-N 2 0 313.489 2.726 20 0 DFADRP CCc1ccccc1[C@H]([NH3+])CN[C@@H]1CC[N@H+](C)[C@@H]2CCC[C@H]21 ZINC000423508871 429104123 /nfs/dbraw/zinc/10/41/23/429104123.db2.gz QZJIAEYKSYORBB-WJFTUGDTSA-N 2 0 301.478 2.711 20 0 DFADRP COc1cccc(C[C@H](C2CC2)[N@@H+]2C[C@@H](C)[C@](C)(C[NH3+])C2)c1 ZINC000423512945 429104557 /nfs/dbraw/zinc/10/45/57/429104557.db2.gz QVGFXMIHXBOAPT-NIKGAXFTSA-N 2 0 302.462 2.933 20 0 DFADRP Cc1ccc([C@H](C)[NH2+]C2CCC([NH+]3CCNCC3)CC2)s1 ZINC000423507588 429104570 /nfs/dbraw/zinc/10/45/70/429104570.db2.gz JQIMLTOPQYWYLX-FHERZECASA-N 2 0 307.507 2.924 20 0 DFADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1N[C@H](C[NH3+])C1CCCC1 ZINC000423507892 429104725 /nfs/dbraw/zinc/10/47/25/429104725.db2.gz IRJXDPUQARRYNW-LZQZEXGQSA-N 2 0 301.478 2.614 20 0 DFADRP CCc1ccccc1[C@H]([NH3+])CN[C@H](Cc1ccccc1)[C@@H](C)[NH3+] ZINC000423515951 429105555 /nfs/dbraw/zinc/10/55/55/429105555.db2.gz XRJADEZHRVPQJV-CDHQVMDDSA-N 2 0 311.473 2.797 20 0 DFADRP CCC[NH+]1CCC(NCC2([NH3+])C3CC4CC(C3)CC2C4)CC1 ZINC000423526237 429107823 /nfs/dbraw/zinc/10/78/23/429107823.db2.gz LDNQHZJKDZVOKM-UHFFFAOYSA-N 2 0 305.510 2.604 20 0 DFADRP C[C@H]([NH2+]C1CCC(N2CC[NH2+]CC2)CC1)c1cccc(F)c1F ZINC000423522305 429108661 /nfs/dbraw/zinc/10/86/61/429108661.db2.gz UPMQQEZWWBCVDM-NFOMZHRRSA-N 2 0 323.431 2.832 20 0 DFADRP C[NH+](C)C[C@@H]1CCCN1C(=O)CC[C@@H]([NH3+])CC1CCCCC1 ZINC000424197656 429109357 /nfs/dbraw/zinc/10/93/57/429109357.db2.gz WPNBTQVYCAYDHQ-SJORKVTESA-N 2 0 309.498 2.617 20 0 DFADRP Cc1nn(C)c2sc([C@@H](C)[N@@H+]3C[C@@H](C)[C@](C)(C[NH3+])C3)cc12 ZINC000423531576 429110481 /nfs/dbraw/zinc/11/04/81/429110481.db2.gz YDJLYMGKWMTKLL-NSODJVPESA-N 2 0 306.479 2.921 20 0 DFADRP C[C@@H]([NH2+]CC1(N)CC[NH+](Cc2ccccc2)CC1)[C@H]1C[C@H]1C ZINC000423533018 429110893 /nfs/dbraw/zinc/11/08/93/429110893.db2.gz WJAUVCCXDVBDPC-NUJGCVRESA-N 2 0 301.478 2.614 20 0 DFADRP C[C@H]1CC2(C[N@@H+]1CC(=O)Nc1cccc(Cl)c1)CC[NH2+]CC2 ZINC000424294342 429121248 /nfs/dbraw/zinc/12/12/48/429121248.db2.gz QAEKXCLGLKGLEI-ZDUSSCGKSA-N 2 0 321.852 2.743 20 0 DFADRP COC(=O)c1cc(C[N@@H+]2CC3(C[C@H]2C)CC[NH2+]CC3)c(C)s1 ZINC000424301155 429122421 /nfs/dbraw/zinc/12/24/21/429122421.db2.gz XGACKCPCGKJZMK-GFCCVEGCSA-N 2 0 322.474 2.807 20 0 DFADRP Cc1ccc(NC(=O)C[N@H+]2CC3(C[C@H]2C)CC[NH2+]CC3)c(F)c1 ZINC000424299898 429122751 /nfs/dbraw/zinc/12/27/51/429122751.db2.gz WDJLILMWLFECJH-CQSZACIVSA-N 2 0 319.424 2.537 20 0 DFADRP [NH3+]C[C@H](CN1CCC[C@@H]([NH+]2CCCC2)CC1)c1ccc(F)cc1 ZINC000424302912 429122939 /nfs/dbraw/zinc/12/29/39/429122939.db2.gz MZCXACHOKVLGCJ-IEBWSBKVSA-N 2 0 319.468 2.818 20 0 DFADRP C[C@H]1CC2(C[N@@H+]1CC(=O)Nc1ccc(Cl)cc1)CC[NH2+]CC2 ZINC000424300581 429123316 /nfs/dbraw/zinc/12/33/16/429123316.db2.gz WURBULGSQKKGPK-ZDUSSCGKSA-N 2 0 321.852 2.743 20 0 DFADRP [NH3+]C[C@@H](CN1CC[C@@H](C[NH+]2CCCCC2)C1)c1ccc(F)cc1 ZINC000424305842 429123579 /nfs/dbraw/zinc/12/35/79/429123579.db2.gz TVPGOSUOVNNALI-WMZOPIPTSA-N 2 0 319.468 2.676 20 0 DFADRP COC(=O)CC1CC([NH2+]CC[C@H](C)[N@H+](C)Cc2ccccc2)C1 ZINC000424321045 429126140 /nfs/dbraw/zinc/12/61/40/429126140.db2.gz UFDSXXBQLINCDP-ZLPCBKJTSA-N 2 0 318.461 2.828 20 0 DFADRP COC(=O)CC1CC([NH2+]C[C@@H]2CCC[N@@H+]2C2CCCCC2)C1 ZINC000424351018 429129456 /nfs/dbraw/zinc/12/94/56/429129456.db2.gz OWFALUAYIZKYBF-DQPZFDDXSA-N 2 0 308.466 2.715 20 0 DFADRP CC[C@@H](Cc1ccc(OC)c(OC)c1)[NH2+][C@@H]1CCCC[C@H]1[NH3+] ZINC000424366799 429130864 /nfs/dbraw/zinc/13/08/64/429130864.db2.gz JREBEYLZGNCBKN-ARFHVFGLSA-N 2 0 306.450 2.884 20 0 DFADRP C[C@H]1CCC[C@@H](C[NH+]2CCC(n3ncc4c3C[NH2+]C4)CC2)C1 ZINC000424378381 429131109 /nfs/dbraw/zinc/13/11/09/429131109.db2.gz NALKVWIIIRFPBC-LSDHHAIUSA-N 2 0 302.466 2.950 20 0 DFADRP C[C@@H](CCc1ccco1)[NH2+]Cc1cc(C2CC[NH2+]CC2)no1 ZINC000424375610 429131557 /nfs/dbraw/zinc/13/15/57/429131557.db2.gz KNSNCPIJZAWNHR-ZDUSSCGKSA-N 2 0 303.406 2.846 20 0 DFADRP C[C@H]1CCC[C@H](C[NH+]2CCC(n3ncc4c3C[NH2+]C4)CC2)C1 ZINC000424378375 429132247 /nfs/dbraw/zinc/13/22/47/429132247.db2.gz NALKVWIIIRFPBC-GJZGRUSLSA-N 2 0 302.466 2.950 20 0 DFADRP COc1ccc(-c2ccncc2)cc1C[N@@H+]1C[C@@H](C[NH3+])C[C@H]1C ZINC000435373661 429133198 /nfs/dbraw/zinc/13/31/98/429133198.db2.gz NWTLVTMBFNOKJE-HUUCEWRRSA-N 2 0 311.429 2.926 20 0 DFADRP CC[N@H+](Cc1cc(OC)c(OC)cc1C)[C@H]1CCC[NH2+]CC1 ZINC000435381718 429136716 /nfs/dbraw/zinc/13/67/16/429136716.db2.gz VKLPNBQWCWWMCI-INIZCTEOSA-N 2 0 306.450 2.976 20 0 DFADRP COc1ccc(-c2ccncc2)cc1C[N@@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000435377702 429137486 /nfs/dbraw/zinc/13/74/86/429137486.db2.gz FJZGXDUCUZQVNI-WDSOQIARSA-N 2 0 323.440 2.926 20 0 DFADRP CCC(CC)C[N@H+](Cc1nccn1C)[C@H]1CC12CC[NH2+]CC2 ZINC000435430717 429142252 /nfs/dbraw/zinc/14/22/52/429142252.db2.gz FCFZXJYJTKNLLM-INIZCTEOSA-N 2 0 304.482 2.800 20 0 DFADRP [NH3+]Cc1ccc2c(c1)CCCN2C(=O)CC1(C[NH3+])CCCCC1 ZINC000364061285 429163736 /nfs/dbraw/zinc/16/37/36/429163736.db2.gz CIOLCXBCQJEEPM-UHFFFAOYSA-N 2 0 315.461 2.724 20 0 DFADRP CC1(C)CN(C2(C[NH2+]Cc3cc[nH]c3)CCCCC2)CCO1 ZINC000364076442 429168024 /nfs/dbraw/zinc/16/80/24/429168024.db2.gz MMZLHFUZSXEVND-UHFFFAOYSA-N 2 0 305.466 2.918 20 0 DFADRP C[C@@H]1C[N@H+](C)C[C@H]1C(=O)Nc1ccc(Cl)c(CN(C)C)c1 ZINC000487527291 429159292 /nfs/dbraw/zinc/15/92/92/429159292.db2.gz ZVLZRWGYNIMVTM-BXUZGUMPSA-N 2 0 309.841 2.538 20 0 DFADRP CC1(C)NC(=O)CC[C@H]1[NH2+]C[C@H]1CCCN1CC1CCCCC1 ZINC000495069358 429175851 /nfs/dbraw/zinc/17/58/51/429175851.db2.gz SBLFXAIAHKQULK-IAGOWNOFSA-N 2 0 321.509 2.678 20 0 DFADRP CCO[C@@H]1C[C@@H]([NH2+]CC2CC[NH+](C)CC2)[C@H]1Oc1ccccc1 ZINC000364321547 429181188 /nfs/dbraw/zinc/18/11/88/429181188.db2.gz CJJQHCBMYLJQHR-GUDVDZBRSA-N 2 0 318.461 2.543 20 0 DFADRP CC(C)n1ncc2c1C[C@H]([NH2+]C1CC[NH+](C(C)C)CC1)CC2 ZINC000364374096 429192726 /nfs/dbraw/zinc/19/27/26/429192726.db2.gz LIWIAALTDWLSJR-QGZVFWFLSA-N 2 0 304.482 2.784 20 0 DFADRP CCO[C@H](CC[NH+](C)C)C[NH2+]Cc1cc2c(cccc2F)[nH]1 ZINC000436287891 429193305 /nfs/dbraw/zinc/19/33/05/429193305.db2.gz UHEOMEZRKWHUDO-CQSZACIVSA-N 2 0 307.413 2.753 20 0 DFADRP c1cc(-c2n[nH]cc2C[NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)cs1 ZINC000436292603 429193387 /nfs/dbraw/zinc/19/33/87/429193387.db2.gz SVHISAYUCKUEST-LBPRGKRZSA-N 2 0 302.447 2.712 20 0 DFADRP FC(F)C1CCC([NH2+]C2CC[NH+](C[C@H]3CCOC3)CC2)CC1 ZINC000442771095 429235100 /nfs/dbraw/zinc/23/51/00/429235100.db2.gz SUHGZWNPIZAXKU-WLYUNCDWSA-N 2 0 316.436 2.901 20 0 DFADRP Cc1ccc2nc(CN3C[C@@H]4C[N@@H+]5CCCC[C@@H]5[C@H]4C3)cn2c1 ZINC000364628427 429236939 /nfs/dbraw/zinc/23/69/39/429236939.db2.gz LIENXRQOLQIHDI-BPQIPLTHSA-N 2 0 310.445 2.559 20 0 DFADRP Cn1cc(C[N@@H+]2CCC[C@H](CC[NH3+])C2)c(-c2cccs2)n1 ZINC000442929595 429240550 /nfs/dbraw/zinc/24/05/50/429240550.db2.gz SBBGLWCUHQZSEO-CYBMUJFWSA-N 2 0 304.463 2.709 20 0 DFADRP CC[N@H+](CC(=O)NCC[NH+]1CCC2(CCCCC2)CC1)C1CC1 ZINC000442965454 429242643 /nfs/dbraw/zinc/24/26/43/429242643.db2.gz JQVCKKUVAFWQPG-UHFFFAOYSA-N 2 0 321.509 2.633 20 0 DFADRP Cc1ccnc(NC[C@@H]2CC[N@H+](C[C@H](O)c3ccccc3)C2)c1 ZINC000364728489 429256737 /nfs/dbraw/zinc/25/67/37/429256737.db2.gz SVKTVSYHXKAYGP-WMZOPIPTSA-N 2 0 311.429 2.857 20 0 DFADRP OC1(c2ccccc2)CCC([NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000364725112 429257681 /nfs/dbraw/zinc/25/76/81/429257681.db2.gz SQUISRPYLTXCQD-PPDQVPDSSA-N 2 0 314.473 2.891 20 0 DFADRP CC[C@](C)(O)C[NH2+]C1CC[NH+]([C@H](C)Cc2ccccc2)CC1 ZINC000449073599 429325822 /nfs/dbraw/zinc/32/58/22/429325822.db2.gz SHCXEKMOYDBQLV-APWZRJJASA-N 2 0 304.478 2.833 20 0 DFADRP CCC[C@@H](C[NH+]1CCN([C@@H]2CC[NH2+]C2)CC1)c1ccccc1 ZINC000491132403 429327427 /nfs/dbraw/zinc/32/74/27/429327427.db2.gz IQBMHOPQBXAJOC-RBUKOAKNSA-N 2 0 301.478 2.550 20 0 DFADRP CC(C)(C)CC(C)(C)[NH+]1CCC([NH2+]C[C@H]2COCCO2)CC1 ZINC000449089483 429329774 /nfs/dbraw/zinc/32/97/74/429329774.db2.gz KOXWEIIJYKJYRY-INIZCTEOSA-N 2 0 312.498 2.671 20 0 DFADRP C[C@H](Cn1cncn1)[NH2+]C1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC000449098939 429330589 /nfs/dbraw/zinc/33/05/89/429330589.db2.gz LHKSRQPBQNSZIT-OAHLLOKOSA-N 2 0 321.513 2.935 20 0 DFADRP CN(Cc1ccc(-c2ccccn2)nc1)C[C@H]1CCC[N@H+](C)C1 ZINC000425416822 429291592 /nfs/dbraw/zinc/29/15/92/429291592.db2.gz IXUNUVMSSAGMSK-KRWDZBQOSA-N 2 0 310.445 2.917 20 0 DFADRP CO[C@@H](C[N@H+](C)[C@H]1CCC[NH+](C[C@@H](OC)C2CC2)CC1)C1CC1 ZINC000425425789 429293281 /nfs/dbraw/zinc/29/32/81/429293281.db2.gz UWFRSDZTODFGGS-GBESFXJTSA-N 2 0 324.509 2.623 20 0 DFADRP COC(=O)[C@@H](CCN(C)CCC[NH+]1CCCC1)c1ccccc1 ZINC000425439878 429297511 /nfs/dbraw/zinc/29/75/11/429297511.db2.gz CUPZNFYNQLFRQV-SFHVURJKSA-N 2 0 318.461 2.751 20 0 DFADRP C[C@H]1C[C@@H](C[NH2+]CCC[NH+](C)C)CCN1C(=O)OC(C)(C)C ZINC000496089041 429305750 /nfs/dbraw/zinc/30/57/50/429305750.db2.gz AZYNXLWJKPSYFQ-GJZGRUSLSA-N 2 0 313.486 2.563 20 0 DFADRP C[C@@H]1C[C@@H](NC(=O)c2ccc(C[NH+]3CCCC3)cc2)c2nccn21 ZINC000456432837 429306510 /nfs/dbraw/zinc/30/65/10/429306510.db2.gz TWKRPUNKCVELIU-RHSMWYFYSA-N 2 0 324.428 2.915 20 0 DFADRP CC(C)[C@H]1C[N@H+](C)CCN1CC[NH+](C)Cc1ccc(F)cc1 ZINC000425484636 429307458 /nfs/dbraw/zinc/30/74/58/429307458.db2.gz SMQBSEQEOLOIGF-GOSISDBHSA-N 2 0 307.457 2.530 20 0 DFADRP CC1(c2ccc(F)cc2)CC([NH2+]CCCC[NH+]2CCOCC2)C1 ZINC000365384384 429309787 /nfs/dbraw/zinc/30/97/87/429309787.db2.gz YUKUUHSFFIHXIE-UHFFFAOYSA-N 2 0 320.452 2.948 20 0 DFADRP C[C@@H](Cc1ccoc1)[NH2+]Cc1ccncc1OCCC[NH+](C)C ZINC000449327782 429391276 /nfs/dbraw/zinc/39/12/76/429391276.db2.gz GGVKRHXVHJCDJQ-HNNXBMFYSA-N 2 0 317.433 2.726 20 0 DFADRP C[C@@H](Cc1ccccc1)[NH+]1CCC([NH2+]C[C@H](CO)C2CC2)CC1 ZINC000449338956 429393109 /nfs/dbraw/zinc/39/31/09/429393109.db2.gz TUDQHNJLTFNLQL-QFBILLFUSA-N 2 0 316.489 2.690 20 0 DFADRP CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)C[C@H]2CCCC[C@H]2[NH3+])C1 ZINC000449347685 429395093 /nfs/dbraw/zinc/39/50/93/429395093.db2.gz DGQPRBAXRDDTFQ-BRWVUGGUSA-N 2 0 323.525 2.911 20 0 DFADRP CC(C)CC[NH+]1CCC(CNC(=O)C[C@@H]2CCCC[C@H]2[NH3+])CC1 ZINC000449362696 429397500 /nfs/dbraw/zinc/39/75/00/429397500.db2.gz MAKNDGNZDCOTLR-ZWKOTPCHSA-N 2 0 323.525 2.768 20 0 DFADRP COc1ccc(OC2CC[NH+](C[C@@H]3CC[NH2+][C@H](C)C3)CC2)cc1 ZINC000518130912 429411126 /nfs/dbraw/zinc/41/11/26/429411126.db2.gz HAZZWOSLXWILNZ-HZPDHXFCSA-N 2 0 318.461 2.927 20 0 DFADRP c1c(C[NH2+]C[C@H]2[C@@H]3c4ccccc4C[C@H]23)onc1C1CC[NH2+]CC1 ZINC000425894104 429349517 /nfs/dbraw/zinc/34/95/17/429349517.db2.gz FYBPVLWEPFZTPA-QWFCFKBJSA-N 2 0 323.440 2.817 20 0 DFADRP Cc1cc(C[NH2+]C2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)cs1 ZINC000449188312 429352241 /nfs/dbraw/zinc/35/22/41/429352241.db2.gz KMGQJKZZDUAXMN-IRXDYDNUSA-N 2 0 308.491 2.914 20 0 DFADRP C[C@H](Cc1ccoc1)[NH2+]C1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000449182872 429352472 /nfs/dbraw/zinc/35/24/72/429352472.db2.gz DCZMJIZFZQZQPV-OLMNPRSZSA-N 2 0 306.450 2.568 20 0 DFADRP Cc1cccc(CC[NH2+]C2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)c1 ZINC000449183257 429352634 /nfs/dbraw/zinc/35/26/34/429352634.db2.gz FHTLGSBPJQCBQA-WOJBJXKFSA-N 2 0 316.489 2.895 20 0 DFADRP CC[NH+]1CCN(c2ccccc2C[NH2+]CC(C)(C)COC)CC1 ZINC000491459137 429362807 /nfs/dbraw/zinc/36/28/07/429362807.db2.gz PIEBTUSZEJCAGZ-UHFFFAOYSA-N 2 0 319.493 2.591 20 0 DFADRP C[NH+](C)[C@H](CNC(=O)C[C@@H]1CCCC[C@H]1[NH3+])C1CCCCC1 ZINC000449321082 429388242 /nfs/dbraw/zinc/38/82/42/429388242.db2.gz RGMJDEBFGBHVIK-GVDBMIGSSA-N 2 0 309.498 2.521 20 0 DFADRP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+]CCc2cn[nH]c2)CC1 ZINC000449335790 429390355 /nfs/dbraw/zinc/39/03/55/429390355.db2.gz LUYBYPRCBOQTFB-MRXNPFEDSA-N 2 0 312.461 2.637 20 0 DFADRP COc1cc2c(cc1C[NH2+]CC[C@H]1CCC[N@H+](C)C1)O[C@@H](C)C2 ZINC000518924321 429440164 /nfs/dbraw/zinc/44/01/64/429440164.db2.gz CIYNBORRGXRONJ-LSDHHAIUSA-N 2 0 318.461 2.840 20 0 DFADRP c1csc(CN2CCC([NH2+]CCN3CC=CCC3)CC2)c1 ZINC000366253950 429442263 /nfs/dbraw/zinc/44/22/63/429442263.db2.gz XBUQUVUTYVVFAS-UHFFFAOYSA-N 2 0 305.491 2.564 20 0 DFADRP C[NH+](C)CCCC(C)(C)[NH2+]Cc1ccc(N2CCCC2)nc1 ZINC000449526792 429444132 /nfs/dbraw/zinc/44/41/32/429444132.db2.gz FTPRWKLYWWNPAJ-UHFFFAOYSA-N 2 0 304.482 2.892 20 0 DFADRP [NH3+][C@@H]1CCC[C@@H]([NH2+]CCCC(=O)Nc2ccc(Cl)cc2)C1 ZINC000518999536 429444191 /nfs/dbraw/zinc/44/41/91/429444191.db2.gz DZEXSSQJFLSLNC-UKRRQHHQSA-N 2 0 309.841 2.918 20 0 DFADRP CC(C)[NH2+]CCCN[C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]12 ZINC000519537390 429463535 /nfs/dbraw/zinc/46/35/35/429463535.db2.gz FSKUDOMDWHNVNZ-HSALFYBXSA-N 3 0 315.505 2.875 20 0 DFADRP Cn1nccc1[C@@H]1CCC[C@H]([NH2+]C2CC[NH+](CC3CC3)CC2)C1 ZINC000366070726 429412603 /nfs/dbraw/zinc/41/26/03/429412603.db2.gz ABRAQPWYAOXRIW-AEFFLSMTSA-N 2 0 316.493 2.910 20 0 DFADRP CC[C@H]([NH2+]C1CC[NH+](C2CCCCC2)CC1)[C@H](O)C(F)F ZINC000449425051 429413686 /nfs/dbraw/zinc/41/36/86/429413686.db2.gz QXFCAMKPWNDSEG-GJZGRUSLSA-N 2 0 304.425 2.778 20 0 DFADRP CCN1CCC([N@@H+]2CCC=C(c3cn(C(C)C)nn3)CC2)CC1 ZINC000449476185 429429086 /nfs/dbraw/zinc/42/90/86/429429086.db2.gz ZGWPIZFJJHNYJM-UHFFFAOYSA-N 2 0 317.481 2.823 20 0 DFADRP CC(=O)N1CCCN(C[C@H]2CCC[N@@H+](CCCC(C)C)C2)CC1 ZINC000449496166 429435230 /nfs/dbraw/zinc/43/52/30/429435230.db2.gz IUPPTDUBGLAQQX-IBGZPJMESA-N 2 0 323.525 2.689 20 0 DFADRP CC(C)[N@H+](C)Cc1ccccc1CNC(=O)C[C@H]1CCC[NH2+]C1 ZINC000519646631 429476027 /nfs/dbraw/zinc/47/60/27/429476027.db2.gz KRJSOWGQPIAOJE-MRXNPFEDSA-N 2 0 317.477 2.533 20 0 DFADRP CC[NH+]1CCN(c2ccccc2C[NH2+]C[C@@H]2C[C@H]2C2CC2)CC1 ZINC000449741716 429493448 /nfs/dbraw/zinc/49/34/48/429493448.db2.gz LIEFFMBOSMHNLO-OALUTQOASA-N 2 0 313.489 2.964 20 0 DFADRP CC[NH+]1CCN(CC(C)(C)[NH2+]C[C@@H]2CC(C)=C[C@@H](C)C2)CC1 ZINC000449747699 429496590 /nfs/dbraw/zinc/49/65/90/429496590.db2.gz XZCGQENIRLWNAQ-AEFFLSMTSA-N 2 0 307.526 2.985 20 0 DFADRP C[C@H]1C[C@@H](O)C[N@H+](CC(C)(C)C[NH+](C)Cc2ccccc2)C1 ZINC000449767760 429502993 /nfs/dbraw/zinc/50/29/93/429502993.db2.gz QWCOVMVJADQTJT-FUHWJXTLSA-N 2 0 304.478 2.847 20 0 DFADRP CC[N@H+](C)C[C@H](O)CN1CCC(=Cc2ccc(F)c(F)c2)CC1 ZINC000520248125 429507095 /nfs/dbraw/zinc/50/70/95/429507095.db2.gz PTYQLYODZUPIFC-INIZCTEOSA-N 2 0 324.415 2.757 20 0 DFADRP C[C@@H]1C[C@@H](NCCC[NH+]2CCC2)CC[N@@H+]1Cc1ccccc1 ZINC000520428177 429514651 /nfs/dbraw/zinc/51/46/51/429514651.db2.gz MYVCSRDKUCBEDB-MJGOQNOKSA-N 3 0 301.478 2.725 20 0 DFADRP Cc1cnc([C@H](C)N2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cn1 ZINC000428386421 429515421 /nfs/dbraw/zinc/51/54/21/429515421.db2.gz DKROMDBRJMMTAU-MPGHIAIKSA-N 2 0 300.450 2.795 20 0 DFADRP CC[NH+](CC)C[C@H](C)NC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC000449828468 429519657 /nfs/dbraw/zinc/51/96/57/429519657.db2.gz XEPQMDBIGLKZEK-DOTOQJQBSA-N 2 0 309.498 2.630 20 0 DFADRP C[NH+]1CC[C@@H](NC[C@H]2CCC[N@@H+](C)C2)C[C@@H]1c1ccccc1 ZINC000521414163 429550551 /nfs/dbraw/zinc/55/05/51/429550551.db2.gz YTJZGJUWBVGUFP-BHIYHBOVSA-N 2 0 301.478 2.753 20 0 DFADRP Cc1cc(C)cc(C[N@@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@H](C)C2)c1 ZINC000367032538 429562160 /nfs/dbraw/zinc/56/21/60/429562160.db2.gz ZWYZTBIUHDXZQA-QUCCMNQESA-N 2 0 315.505 2.761 20 0 DFADRP CC(C)[NH+]1CCN(CCC[N@@H+]2CC[C@@H]2c2ccccc2F)CC1 ZINC000367058307 429567847 /nfs/dbraw/zinc/56/78/47/429567847.db2.gz RYLDEPDJPURZKS-LJQANCHMSA-N 2 0 319.468 2.989 20 0 DFADRP Cc1nccn1CCCC[N@H+]1CCN([C@@H]2C[C@H]2C)C[C@@H](C)C1 ZINC000429024186 429573232 /nfs/dbraw/zinc/57/32/32/429573232.db2.gz WSTYBVQHHNFATJ-LZLYRXPVSA-N 2 0 304.482 2.634 20 0 DFADRP CCc1ccccc1NC(=O)[C@@H](C)N1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000429034395 429573687 /nfs/dbraw/zinc/57/36/87/429573687.db2.gz IHUUOSJSRZIWIB-BEFAXECRSA-N 2 0 315.461 2.604 20 0 DFADRP Cc1noc(C2CCC([NH2+][C@@H]3CCC[C@@H]3[C@H]3CCC[NH2+]3)CC2)n1 ZINC000521993218 429574225 /nfs/dbraw/zinc/57/42/25/429574225.db2.gz SEBCNRXCDWAKKW-SWHNLWLKSA-N 2 0 318.465 2.915 20 0 DFADRP CC1(C)Cc2occc2[C@@H]([NH2+]CC2CC[NH+](CCO)CC2)C1 ZINC000151822551 275874705 /nfs/dbraw/zinc/87/47/05/275874705.db2.gz PTNHYNZNNMJSDQ-INIZCTEOSA-N 2 0 306.450 2.587 20 0 DFADRP CCC[N@H+](CC)Cc1ccc(C(=O)NCC[C@@H]2CC[NH2+]C2)cc1 ZINC000429107286 429579994 /nfs/dbraw/zinc/57/99/94/429579994.db2.gz AERGCEUGQSKKDS-INIZCTEOSA-N 2 0 317.477 2.648 20 0 DFADRP COC(=O)[C@@H](CC(C)C)[NH+]1CCC2(C[C@@H]2C[N@H+](C)C2CC2)CC1 ZINC000367132706 429584999 /nfs/dbraw/zinc/58/49/99/429584999.db2.gz FPSFXJBKCDBAEZ-NVXWUHKLSA-N 2 0 322.493 2.770 20 0 DFADRP COC(=O)[C@@H](CC(C)C)[NH+]1CCC2(C[C@H]2C[N@H+](C)C2CC2)CC1 ZINC000367132705 429585419 /nfs/dbraw/zinc/58/54/19/429585419.db2.gz FPSFXJBKCDBAEZ-DOTOQJQBSA-N 2 0 322.493 2.770 20 0 DFADRP CC[NH+]1CCN(c2ccccc2C[NH2+]C2CC(F)(F)C2)CC1 ZINC000428653897 429541097 /nfs/dbraw/zinc/54/10/97/429541097.db2.gz TWPVOIGQTLUQSA-UHFFFAOYSA-N 2 0 309.404 2.716 20 0 DFADRP CCOC(=O)c1ccc(C[N@@H+]2CCCC3(CC[NH+](C)CC3)C2)o1 ZINC000366949520 429544794 /nfs/dbraw/zinc/54/47/94/429544794.db2.gz BUTNZKGYBXSULU-UHFFFAOYSA-N 2 0 320.433 2.764 20 0 DFADRP C[C@@H]1CCC[C@H](CC[NH+]2CCC(N3CCC[C@H]3C(N)=O)CC2)C1 ZINC000367309228 429617868 /nfs/dbraw/zinc/61/78/68/429617868.db2.gz HPPPPTXIAAOJFZ-NUJGCVRESA-N 2 0 321.509 2.617 20 0 DFADRP CC(C)[N@H+](C)CC1CC[NH+](CC(=O)N2[C@H](C)CCC[C@H]2C)CC1 ZINC000524156124 429621207 /nfs/dbraw/zinc/62/12/07/429621207.db2.gz KYTDKZNUHXXCNA-IAGOWNOFSA-N 2 0 323.525 2.828 20 0 DFADRP CCCC[C@H]1CCC[C@@H]1[NH2+]CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000492819329 429623583 /nfs/dbraw/zinc/62/35/83/429623583.db2.gz RFMIKZOVRPLEGB-YJBOKZPZSA-N 2 0 321.509 2.678 20 0 DFADRP CC[N@@H+]1CC[C@H](N(C)CC[NH+](C)Cc2ccccc2)C[C@H]1C ZINC000450465274 429632969 /nfs/dbraw/zinc/63/29/69/429632969.db2.gz DUYGNCQERDBMGW-MJGOQNOKSA-N 2 0 303.494 2.923 20 0 DFADRP CCc1cc(N2CC[C@@H](C[N@H+](C)Cc3cccnc3)C2)cc[nH+]1 ZINC000450463613 429633487 /nfs/dbraw/zinc/63/34/87/429633487.db2.gz QPQCPWORHQVMOW-KRWDZBQOSA-N 2 0 310.445 2.997 20 0 DFADRP CC(C)[NH+]1CCC([NH2+][C@@H]2CCOC3(CCSCC3)C2)CC1 ZINC000359728274 275941023 /nfs/dbraw/zinc/94/10/23/275941023.db2.gz KOLYPPJCFJEXAM-MRXNPFEDSA-N 2 0 312.523 2.894 20 0 DFADRP CC[NH+](CC)Cc1ccccc1CNC(=O)C=Cc1c[nH]cn1 ZINC000492910965 429642636 /nfs/dbraw/zinc/64/26/36/429642636.db2.gz KJUIYLZKVPQLIJ-KTKRTIGZSA-N 2 0 312.417 2.581 20 0 DFADRP CCC[C@H](O)C[NH+]1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC000450342432 429604442 /nfs/dbraw/zinc/60/44/42/429604442.db2.gz AIPCVEBWOALPBP-IBGZPJMESA-N 2 0 304.478 2.991 20 0 DFADRP CCC[C@@H](O)C[NH+]1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC000450342433 429605302 /nfs/dbraw/zinc/60/53/02/429605302.db2.gz AIPCVEBWOALPBP-LJQANCHMSA-N 2 0 304.478 2.991 20 0 DFADRP C[C@H](O)C[NH+]1CCC(C[N@H+](C)C[C@@H]2CCCCC2(F)F)CC1 ZINC000450362508 429611165 /nfs/dbraw/zinc/61/11/65/429611165.db2.gz GHWXHIDMIVAGLA-HOCLYGCPSA-N 2 0 318.452 2.837 20 0 DFADRP C[C@H]([NH3+])c1ccc(CNC(=O)[C@H](C)[NH+]2CCCCCC2)cc1 ZINC000429485641 429611403 /nfs/dbraw/zinc/61/14/03/429611403.db2.gz UFVCEVHAYIYVBX-GJZGRUSLSA-N 2 0 303.450 2.587 20 0 DFADRP CC(C)[C@@H](C(=O)NCc1ccc([C@@H](C)[NH3+])cc1)[NH+]1CCCCC1 ZINC000429499877 429612823 /nfs/dbraw/zinc/61/28/23/429612823.db2.gz BHANOMQHRKEQPJ-QAPCUYQASA-N 2 0 317.477 2.833 20 0 DFADRP CNC(=O)c1cccc(C[NH+]2CCC(C[N@H+](C)C(C)C)CC2)c1 ZINC000523670696 429613610 /nfs/dbraw/zinc/61/36/10/429613610.db2.gz HTKBRMJGOKNKBK-UHFFFAOYSA-N 2 0 317.477 2.598 20 0 DFADRP C[C@@H](O)CC[NH+]1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000450650640 429670004 /nfs/dbraw/zinc/67/00/04/429670004.db2.gz RKYUFEAYWGQDHU-QGZVFWFLSA-N 2 0 302.462 2.745 20 0 DFADRP CC[NH+](CC)Cc1cccc(CNC(=O)C2([NH3+])CCCCC2)c1 ZINC000236922193 276109967 /nfs/dbraw/zinc/10/99/67/276109967.db2.gz RGBGRFRHPIFSSA-UHFFFAOYSA-N 2 0 317.477 2.806 20 0 DFADRP CC[NH+]1CCC([NH2+]C[C@@](C)(Cc2ccccc2)[C@@H](C)O)CC1 ZINC000276895415 276151156 /nfs/dbraw/zinc/15/11/56/276151156.db2.gz MRLQUIHHWBAIHZ-VQIMIIECSA-N 2 0 304.478 2.690 20 0 DFADRP CC1=C[C@H](C)C[C@@H](C[N@H+](C)CCN(C)C2CC[NH+](C)CC2)C1 ZINC000356321552 276184867 /nfs/dbraw/zinc/18/48/67/276184867.db2.gz QJASRKWRORFTIO-FUHWJXTLSA-N 2 0 307.526 2.937 20 0 DFADRP CC[NH+]1CCN([C@@H](C)C[NH2+][C@@H]2CCCOc3ccccc32)CC1 ZINC000155684135 276197203 /nfs/dbraw/zinc/19/72/03/276197203.db2.gz XDNUUMUOTLRGAN-FUHWJXTLSA-N 2 0 317.477 2.516 20 0 DFADRP CC[NH+]1CCN([C@@H](C)C[NH2+][C@@H]2CC(C)(C)Cc3occc32)CC1 ZINC000155621843 276197253 /nfs/dbraw/zinc/19/72/53/276197253.db2.gz BEFSAJUZVKOAHP-DOTOQJQBSA-N 2 0 319.493 2.909 20 0 DFADRP CC[NH+]1CCN([C@H](C)C[NH2+][C@H]2CC(C)(C)Cc3occc32)CC1 ZINC000155622163 276199474 /nfs/dbraw/zinc/19/94/74/276199474.db2.gz BEFSAJUZVKOAHP-WBVHZDCISA-N 2 0 319.493 2.909 20 0 DFADRP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+]CCCF)CC1 ZINC000181642108 276202994 /nfs/dbraw/zinc/20/29/94/276202994.db2.gz WPXFXBYDYSTVET-AWEZNQCLSA-N 2 0 311.420 2.978 20 0 DFADRP CCC(CC)(C[NH3+])C(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000236679327 276208528 /nfs/dbraw/zinc/20/85/28/276208528.db2.gz PELQTDODDVKYFQ-AWEZNQCLSA-N 2 0 323.506 2.766 20 0 DFADRP Cc1cccc(-c2noc(CN3CCC[C@H]([C@H](C)[NH3+])C3)n2)c1 ZINC000430545200 429689413 /nfs/dbraw/zinc/68/94/13/429689413.db2.gz HMLOOOVEJIFINV-ZFWWWQNUSA-N 2 0 300.406 2.604 20 0 DFADRP C[N@@H+]1CC[C@H]([NH2+]Cc2ccnc(N3CCCC3)c2)[C@H]2CCC[C@H]21 ZINC000367639286 429690539 /nfs/dbraw/zinc/69/05/39/429690539.db2.gz UTFFWAKWNHYVLE-FGTMMUONSA-N 2 0 314.477 2.644 20 0 DFADRP CC[NH2+]CC1CC[NH+]([C@@H](C)C(=O)Nc2cccc(Cl)c2)CC1 ZINC000430565928 429690746 /nfs/dbraw/zinc/69/07/46/429690746.db2.gz QTMGCJZZZHSMFG-ZDUSSCGKSA-N 2 0 323.868 2.989 20 0 DFADRP CC(C)[C@@](C)(C[NH3+])[NH2+]CCc1nc(-c2ccc(Cl)cc2)no1 ZINC000430588552 429698456 /nfs/dbraw/zinc/69/84/56/429698456.db2.gz ZYQIAISFVBDLRO-MRXNPFEDSA-N 2 0 322.840 2.896 20 0 DFADRP C[N@H+](CCCCC(F)(F)F)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000367684430 429698911 /nfs/dbraw/zinc/69/89/11/429698911.db2.gz NYBZZQAPWIMUFV-HNNXBMFYSA-N 2 0 321.431 2.819 20 0 DFADRP CC[N@H+](CC(=O)NC1CC[NH+](C2CCC(C)CC2)CC1)C1CC1 ZINC000366744560 276313276 /nfs/dbraw/zinc/31/32/76/276313276.db2.gz PLYLRBAHTXSBKQ-UHFFFAOYSA-N 2 0 321.509 2.630 20 0 DFADRP CC[NH2+]CC1CC[NH+]([C@H](C)C(=O)N[C@@H]2CCC[C@@H](C)[C@H]2C)CC1 ZINC000430570589 429694477 /nfs/dbraw/zinc/69/44/77/429694477.db2.gz ZDTYMTORZMQAMM-YFHUEUNASA-N 2 0 323.525 2.637 20 0 DFADRP CCO[C@@H]1C[C@H]([NH2+]C2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)C1(C)C ZINC000305767011 276351727 /nfs/dbraw/zinc/35/17/27/276351727.db2.gz FOAWZOCYQJQXSA-VSZNYVQBSA-N 2 0 324.509 2.548 20 0 DFADRP CC[NH+](CC)C[C@@H]1CCCC[C@H]1[NH2+]CCn1nc(C)cc1C ZINC000450763123 429695836 /nfs/dbraw/zinc/69/58/36/429695836.db2.gz SZJKMPOXSIBNMR-ZWKOTPCHSA-N 2 0 306.498 2.990 20 0 DFADRP CC[NH+]1CCN([C@@H]2CC[N@@H+]([C@H](C)c3ccccc3C)C2)CC1 ZINC000247935515 276386649 /nfs/dbraw/zinc/38/66/49/276386649.db2.gz CKPFLCOXEFJQJV-QZTJIDSGSA-N 2 0 301.478 2.768 20 0 DFADRP C[NH2+]C[C@H]1CCCN([C@@H](C)C(=O)Nc2cccc(SC)c2)C1 ZINC000430633900 429703533 /nfs/dbraw/zinc/70/35/33/429703533.db2.gz CJOFJVDGRRAEOH-UONOGXRCSA-N 2 0 321.490 2.667 20 0 DFADRP C[N@H+](CCNC(=O)[C@@H]1CCCCCC[C@H]1[NH3+])C1CCCCC1 ZINC000430683185 429709585 /nfs/dbraw/zinc/70/95/85/429709585.db2.gz JNGIZTZAVJQEGV-IAGOWNOFSA-N 2 0 309.498 2.665 20 0 DFADRP C[NH+](C)CCN1CCC([NH2+]Cc2ccc(C(F)F)cc2)CC1 ZINC000526974550 429711966 /nfs/dbraw/zinc/71/19/66/429711966.db2.gz SYHGYUDTEJVVMW-UHFFFAOYSA-N 2 0 311.420 2.740 20 0 DFADRP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)[C@H]1CCCCCC[C@@H]1[NH3+] ZINC000430771430 429716518 /nfs/dbraw/zinc/71/65/18/429716518.db2.gz DDQQQMYZMYTPJB-IKGGRYGDSA-N 2 0 309.498 2.665 20 0 DFADRP CC(C)[C@H](O)C[N@H+](C)[C@@H]1CCN(Cc2ccccc2)C[C@@H]1C ZINC000367930579 429746549 /nfs/dbraw/zinc/74/65/49/429746549.db2.gz JDKBPJCEVOBHIK-QXAKKESOSA-N 2 0 304.478 2.846 20 0 DFADRP COc1cc2c(c(C[NH+]3CCC4(CC[NH2+]C4)CC3)c1)O[C@H](C)C2 ZINC000430918541 429723901 /nfs/dbraw/zinc/72/39/01/429723901.db2.gz HTGCYFKQCIGPRS-CQSZACIVSA-N 2 0 316.445 2.594 20 0 DFADRP C[C@H]1C[N@H+](Cc2ccc(OCc3cccnc3)cc2)CC[C@@H]1[NH3+] ZINC000430915562 429723972 /nfs/dbraw/zinc/72/39/72/429723972.db2.gz DCGDTPHJWHOAPB-KXBFYZLASA-N 2 0 311.429 2.830 20 0 DFADRP CCN(CC)C(=O)[C@@H](c1ccccc1)[NH+]1CCC(C[NH2+]C)CC1 ZINC000430926186 429725109 /nfs/dbraw/zinc/72/51/09/429725109.db2.gz FWYVYMCZPUPDMQ-GOSISDBHSA-N 2 0 317.477 2.528 20 0 DFADRP C[C@@H]([NH3+])C1CC[NH+](CCC(=O)Nc2ccc(Cl)cc2)CC1 ZINC000430923568 429725580 /nfs/dbraw/zinc/72/55/80/429725580.db2.gz FZZLJEKOKOLFKK-GFCCVEGCSA-N 2 0 309.841 2.728 20 0 DFADRP Cc1ccc(NC(=O)[C@H](C)[NH+]2CCC([C@H](C)[NH3+])CC2)c(C)c1 ZINC000430948001 429727391 /nfs/dbraw/zinc/72/73/91/429727391.db2.gz GRYUPVXUROMGHG-GJZGRUSLSA-N 2 0 303.450 2.690 20 0 DFADRP CCc1cccc(CC)c1NC(=O)C[NH+]1CCC([C@@H](C)[NH3+])CC1 ZINC000430941361 429728309 /nfs/dbraw/zinc/72/83/09/429728309.db2.gz WCDLKLXGOGXLCZ-CQSZACIVSA-N 2 0 317.477 2.809 20 0 DFADRP Cc1cccc(C)c1NC(=O)[C@@H](C)[NH+]1CCC([C@H](C)[NH3+])CC1 ZINC000430951299 429729603 /nfs/dbraw/zinc/72/96/03/429729603.db2.gz LDKVTTBCHBBKCC-LSDHHAIUSA-N 2 0 303.450 2.690 20 0 DFADRP C[C@H]1[C@H]([NH+]2CCCC2)CCN1CC[N@H+](C)Cc1ccc(F)cc1 ZINC000367855730 429731208 /nfs/dbraw/zinc/73/12/08/429731208.db2.gz IXEZXFJRHVZALN-QFBILLFUSA-N 2 0 319.468 2.816 20 0 DFADRP O=C(C[NH+]1CCC2(CC[NH2+]C2)CC1)Nc1cccc2ccccc21 ZINC000431012545 429734140 /nfs/dbraw/zinc/73/41/40/429734140.db2.gz FZAZQORGJQWEJW-UHFFFAOYSA-N 2 0 323.440 2.854 20 0 DFADRP O=C(CC[NH+]1CCC2(CC[NH2+]C2)CC1)Nc1ccc(Cl)cc1 ZINC000431033249 429735044 /nfs/dbraw/zinc/73/50/44/429735044.db2.gz HGPIIZHQMNBTCG-UHFFFAOYSA-N 2 0 321.852 2.744 20 0 DFADRP Cc1c(F)cccc1NC(=O)CC[NH+]1CCC2(CC[NH2+]C2)CC1 ZINC000431020490 429735936 /nfs/dbraw/zinc/73/59/36/429735936.db2.gz AWFLXUNFTYJJLW-UHFFFAOYSA-N 2 0 319.424 2.538 20 0 DFADRP c1cnn(CCC[NH2+][C@H]2C[C@H](C3CC3)N(Cc3ccccc3)C2)c1 ZINC000367908889 429742884 /nfs/dbraw/zinc/74/28/84/429742884.db2.gz DIGPRYAQVVYUKD-VQTJNVASSA-N 2 0 324.472 2.916 20 0 DFADRP C[C@H](c1ccccc1)[C@H](O)C[N@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000450984593 429743336 /nfs/dbraw/zinc/74/33/36/429743336.db2.gz WWXJMWSKFXTYLC-ZLMZNLFFSA-N 2 0 302.462 2.708 20 0 DFADRP C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1cncn1Cc1ccccc1 ZINC000527324973 429744711 /nfs/dbraw/zinc/74/47/11/429744711.db2.gz UVAKJRMPRDGYSZ-SJLPKXTDSA-N 2 0 310.445 2.600 20 0 DFADRP CNC(=O)CC[C@H]1CCCC[N@@H+]1C[C@H]1CCCCN1C(C)C ZINC000450993396 429745183 /nfs/dbraw/zinc/74/51/83/429745183.db2.gz VRQMJDFYVYWZMX-IAGOWNOFSA-N 2 0 309.498 2.630 20 0 DFADRP CCO[C@@H]1C[C@H]([NH2+]C2CC[NH+]([C@@H]3CCC[C@H](C)C3)CC2)[C@@H]1OC ZINC000361157437 276479382 /nfs/dbraw/zinc/47/93/82/276479382.db2.gz WNIMDHOBKCYUEV-YYTXDEJISA-N 2 0 324.509 2.812 20 0 DFADRP CCC[C@@H](C(=O)N(C)CC[N@H+](C)C1CCN(C)CC1)C(C)C ZINC000486868896 429753817 /nfs/dbraw/zinc/75/38/17/429753817.db2.gz LQBPAXJCJMIMEX-QGZVFWFLSA-N 2 0 311.514 2.543 20 0 DFADRP C[NH+](C)CCOc1ccccc1C[NH2+]C/C=C\c1ccncc1 ZINC000486965025 429758062 /nfs/dbraw/zinc/75/80/62/429758062.db2.gz CKLAEYOTFLQZHL-WAYWQWQTSA-N 2 0 311.429 2.825 20 0 DFADRP OC1(C[NH2+][C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)CCC1 ZINC000367997817 429762183 /nfs/dbraw/zinc/76/21/83/429762183.db2.gz GLLMHZUEEBKOLF-GBESFXJTSA-N 2 0 314.473 2.792 20 0 DFADRP C[NH+](C)CCOc1ccc(C[NH2+]Cc2ccncc2Cl)cc1 ZINC000527642258 429772668 /nfs/dbraw/zinc/77/26/68/429772668.db2.gz YNNUJUODCZXREA-UHFFFAOYSA-N 2 0 319.836 2.965 20 0 DFADRP C[N@@H+]1CCCC[C@H]1CCC(=O)N1CC[NH+](CCC(C)(C)C)CC1 ZINC000431727620 429779422 /nfs/dbraw/zinc/77/94/22/429779422.db2.gz LDHKCPFDDJSEJT-KRWDZBQOSA-N 2 0 323.525 2.831 20 0 DFADRP C[N@@H+]1CCCC[C@H]1CCC(=O)N1CCC[NH+](C2CCCC2)CC1 ZINC000431782891 429782775 /nfs/dbraw/zinc/78/27/75/429782775.db2.gz HNCRFVURUHNNBQ-KRWDZBQOSA-N 2 0 321.509 2.728 20 0 DFADRP C[NH+](C)[C@@H]1CCCN(C(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)CC1 ZINC000451194657 429784077 /nfs/dbraw/zinc/78/40/77/429784077.db2.gz WHZLOXBSDLUAOD-AEFFLSMTSA-N 2 0 321.509 2.726 20 0 DFADRP C[C@@H](C[NH+]1CCCCC1)NC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC000431912753 429789499 /nfs/dbraw/zinc/78/94/99/429789499.db2.gz JXEYIECEAQADRK-WMZOPIPTSA-N 2 0 321.509 2.774 20 0 DFADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]CC[C@H]2CCCOC2)[C@H](C)C1 ZINC000527923653 429821182 /nfs/dbraw/zinc/82/11/82/429821182.db2.gz DIBWWEGRMVEJQJ-KURKYZTESA-N 2 0 312.498 2.530 20 0 DFADRP CCC1(CC)[C@H]([NH2+]CCC[N@@H+]2CCCO[C@H](C)C2)C[C@H]1OC ZINC000432413434 429822075 /nfs/dbraw/zinc/82/20/75/429822075.db2.gz MMRFYBNUMIAWTH-BRWVUGGUSA-N 2 0 312.498 2.671 20 0 DFADRP Cc1ccccc1C[NH+]1CCC(C)(C[NH+]2CCN(C)CC2)CC1 ZINC000368333862 429831902 /nfs/dbraw/zinc/83/19/02/429831902.db2.gz SHWVOXCMNCDEND-UHFFFAOYSA-N 2 0 315.505 2.845 20 0 DFADRP OC1CC(C[NH2+][C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)C1 ZINC000528016499 429836895 /nfs/dbraw/zinc/83/68/95/429836895.db2.gz ASCNVVWGXRSWEU-KPZODNFCSA-N 2 0 314.473 2.648 20 0 DFADRP Cc1cccc(CCC[NH+]2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)c1 ZINC000368401998 429843203 /nfs/dbraw/zinc/84/32/03/429843203.db2.gz IHKPEBOVXYCNBT-HXUWFJFHSA-N 2 0 315.505 2.639 20 0 DFADRP Cc1ccc2[nH+]ccc(NCCC[N@@H+]3CCCO[C@@H](C)C3)c2c1 ZINC000432877927 429848239 /nfs/dbraw/zinc/84/82/39/429848239.db2.gz OKTXDBVBPRUIJW-INIZCTEOSA-N 2 0 313.445 2.878 20 0 DFADRP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@@H+]2CCCCC1CCOCC1 ZINC000368530471 429862847 /nfs/dbraw/zinc/86/28/47/429862847.db2.gz MRWZXLUFPBHUTA-QRVBRYPASA-N 2 0 324.509 2.767 20 0 DFADRP C[NH+](C)CCCOc1ccc(C[NH2+]Cc2cncc(F)c2)cc1 ZINC000494563827 429880205 /nfs/dbraw/zinc/88/02/05/429880205.db2.gz IYBDRFKXMRFDCK-UHFFFAOYSA-N 2 0 317.408 2.841 20 0 DFADRP CC[N@H+](C)C[C@H](O)C[NH+]1CC[C@H](c2ccc(F)cc2)C1(C)C ZINC000528746550 429912252 /nfs/dbraw/zinc/91/22/52/429912252.db2.gz WKDPZGDXSQDVGJ-DLBZAZTESA-N 2 0 308.441 2.706 20 0 DFADRP CC(C)[NH+]1CCN(CCC[N@@H+]2CC[C@]3(CC[C@H](C)C3)C2)CC1 ZINC000369122239 429914329 /nfs/dbraw/zinc/91/43/29/429914329.db2.gz OFDQODWBCMBDIP-OALUTQOASA-N 2 0 307.526 2.915 20 0 DFADRP [NH3+]C[C@@H]1CC[C@H](Nc2cc(N3CCc4ccccc43)ncn2)C1 ZINC000573823846 429986811 /nfs/dbraw/zinc/98/68/11/429986811.db2.gz HLSCWENCRBVVBY-HIFRSBDPSA-N 2 0 309.417 2.710 20 0 DFADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+][C@@H](C)c2cc(C)oc2C)CC1 ZINC000573669457 429971610 /nfs/dbraw/zinc/97/16/10/429971610.db2.gz ZZILWHHMCMRVLB-HOCLYGCPSA-N 2 0 307.482 2.821 20 0 DFADRP CC[C@H]1CCCCN1C(=O)[C@@H](C)[N@@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC000639761601 429972345 /nfs/dbraw/zinc/97/23/45/429972345.db2.gz GQJHAXUIIPATFJ-SJORKVTESA-N 2 0 321.509 2.584 20 0 DFADRP CC(C)CN(CC(C)C)C(=O)C[N@@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC000639763260 429973057 /nfs/dbraw/zinc/97/30/57/429973057.db2.gz PJUQVZFVIKETAX-UHFFFAOYSA-N 2 0 323.525 2.545 20 0 DFADRP CC(C)O[C@H](CN1CCC[C@@](O)(C[NH+](C)C)C1)c1ccccc1 ZINC000639766838 429973273 /nfs/dbraw/zinc/97/32/73/429973273.db2.gz PBRCZVJLVCJXRP-RTBURBONSA-N 2 0 320.477 2.541 20 0 DFADRP CCCOc1ccc(OCC[N@@H+]2CC[C@]3(C2)CCC[NH2+]C3)cc1 ZINC000573724232 429976558 /nfs/dbraw/zinc/97/65/58/429976558.db2.gz XHHPGADICDIAJL-LJQANCHMSA-N 2 0 318.461 2.930 20 0 DFADRP [NH3+][C@H]1CCC[C@@H]([NH2+]C2CC(N3CCC(C(F)(F)F)CC3)C2)C1 ZINC000573741401 429978503 /nfs/dbraw/zinc/97/85/03/429978503.db2.gz IBUMLCHQJKIWEG-ZUJMUWTESA-N 2 0 319.415 2.651 20 0 DFADRP O=C(NC1CC[NH+](C2CC2)CC1)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC000369365433 429931012 /nfs/dbraw/zinc/93/10/12/429931012.db2.gz BMDKTAWMTYJVSO-GOSISDBHSA-N 2 0 319.493 2.527 20 0 DFADRP COc1ccc(CC[N@@H+]2CCCN(c3cc[nH+]cc3)CC2)cc1 ZINC000639682125 429943756 /nfs/dbraw/zinc/94/37/56/429943756.db2.gz LOSSLULINRJRFZ-UHFFFAOYSA-N 2 0 311.429 2.845 20 0 DFADRP Fc1ccccc1OCC[N@@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC000639682579 429944459 /nfs/dbraw/zinc/94/44/59/429944459.db2.gz YUTKJCCVMDUXJI-UHFFFAOYSA-N 2 0 315.392 2.812 20 0 DFADRP C[C@@H]1C[C@@H](C)C[NH+](CCN2CCCN(c3cc[nH+]cc3)CC2)C1 ZINC000639684152 429947052 /nfs/dbraw/zinc/94/70/52/429947052.db2.gz RYOBGHIDZOBCSC-QZTJIDSGSA-N 2 0 316.493 2.572 20 0 DFADRP Cc1nccn1CCCC[N@@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC000639704218 429952613 /nfs/dbraw/zinc/95/26/13/429952613.db2.gz PLQGIRIRJNQDEM-UHFFFAOYSA-N 2 0 313.449 2.579 20 0 DFADRP Cc1nc(CC[N@@H+]2CCCN(c3cc[nH+]cc3)CC2)cs1 ZINC000639704110 429953639 /nfs/dbraw/zinc/95/36/39/429953639.db2.gz NZFYHTBEFBSWAP-UHFFFAOYSA-N 2 0 302.447 2.601 20 0 DFADRP Clc1cc(C[N@@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)cc2c1OCO2 ZINC000574277512 430028659 /nfs/dbraw/zinc/02/86/59/430028659.db2.gz KZJPBVCWFIVVQT-UONOGXRCSA-N 2 0 322.836 2.890 20 0 DFADRP CCC(C)(C)[C@H](C)[NH2+]Cc1ccc(C(=O)NCC[NH+](C)C)cc1 ZINC000560344120 430033396 /nfs/dbraw/zinc/03/33/96/430033396.db2.gz HHCCYYHAZDYLPU-HNNXBMFYSA-N 2 0 319.493 2.892 20 0 DFADRP C[NH+](C)CCOCC[NH2+]Cc1ccc(F)cc1C(F)(F)F ZINC000226744661 276791892 /nfs/dbraw/zinc/79/18/92/276791892.db2.gz XZICOSZTVXPZMR-UHFFFAOYSA-N 2 0 308.319 2.512 20 0 DFADRP CCC1([NH+]2CCCC2)CCN(C[C@H](O)CCOC(C)C)CC1 ZINC000639987155 430045773 /nfs/dbraw/zinc/04/57/73/430045773.db2.gz XZHBFDVYVBLJBY-QGZVFWFLSA-N 2 0 312.498 2.503 20 0 DFADRP CC[NH+]1CCC(N[C@H]2CC[N@H+](Cc3ccc(C)cc3)C2)CC1 ZINC000631748451 429988775 /nfs/dbraw/zinc/98/87/75/429988775.db2.gz GFFBZCZIKAUXBX-IBGZPJMESA-N 2 0 301.478 2.643 20 0 DFADRP O[C@@]1(C[NH+]2CCC(CCF)CC2)CCN(Cc2ccccc2)C1 ZINC000639990581 430047846 /nfs/dbraw/zinc/04/78/46/430047846.db2.gz PZKGWLZRBXISKB-LJQANCHMSA-N 2 0 320.452 2.695 20 0 DFADRP C[C@@H]1C[N@@H+]([C@H]2C=CCCCCC2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000559146041 429999173 /nfs/dbraw/zinc/99/91/73/429999173.db2.gz VCGXUGCDWNWZTR-QYZOEREBSA-N 2 0 305.510 2.833 20 0 DFADRP C[C@H](O)C[NH+]1CCC(C[N@H+](C)Cc2ccc3cc[nH]c3c2)CC1 ZINC000529527434 430021380 /nfs/dbraw/zinc/02/13/80/430021380.db2.gz CMIIQWSSAKVIFR-HNNXBMFYSA-N 2 0 315.461 2.693 20 0 DFADRP CC1(C)C[NH2+]CC[C@H]([NH2+]Cc2cnn(-c3ccc(F)cc3)c2)C1 ZINC000634733044 430092492 /nfs/dbraw/zinc/09/24/92/430092492.db2.gz VZENVZUJCMIWKM-INIZCTEOSA-N 2 0 316.424 2.879 20 0 DFADRP CCc1[nH+]c2ccccc2c(N2CC[N@H+](CCO)[C@@H](C)C2)c1C ZINC000561520779 430093222 /nfs/dbraw/zinc/09/32/22/430093222.db2.gz BWKOEDAZKLDJFB-AWEZNQCLSA-N 2 0 313.445 2.608 20 0 DFADRP CCOc1ccc(C[NH2+][C@@H]2CC[NH2+]CC(C)(C)C2)cc1OC ZINC000634732252 430094391 /nfs/dbraw/zinc/09/43/91/430094391.db2.gz BMDROOUXPKGTOJ-OAHLLOKOSA-N 2 0 306.450 2.962 20 0 DFADRP CO[C@H](C[N@@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1)c1ccc(F)cc1 ZINC000530220947 430105291 /nfs/dbraw/zinc/10/52/91/430105291.db2.gz KVKFFXNCSDPGOZ-LZLYRXPVSA-N 2 0 306.425 2.835 20 0 DFADRP CC[C@@H]1C[N@H+](C[C@@H](O)CN(C)C2CC2)CC[C@@H]1c1ccccc1 ZINC000562035739 430107062 /nfs/dbraw/zinc/10/70/62/430107062.db2.gz OHGMCASJIRUCRA-UXPWSPDFSA-N 2 0 316.489 2.957 20 0 DFADRP C[C@@H]1C[C@@H](C[N@@H+]2CCc3nc(C(C)(C)C)ncc3C2)CC[NH2+]1 ZINC000530241212 430107325 /nfs/dbraw/zinc/10/73/25/430107325.db2.gz DNELDEQWIWTQEN-KGLIPLIRSA-N 2 0 302.466 2.520 20 0 DFADRP C[C@@H]([NH2+][C@@H]1CCCCC[C@H]1O)c1cccc(OCC[NH+](C)C)c1 ZINC000562106168 430108394 /nfs/dbraw/zinc/10/83/94/430108394.db2.gz CFPHXZFUGRCQLR-ATZDWAIDSA-N 2 0 320.477 2.971 20 0 DFADRP CC(C)[NH+]1CCC(C(=O)NC[C@H]2CC[N@@H+]2C2CCCCC2)CC1 ZINC000529714331 430057075 /nfs/dbraw/zinc/05/70/75/430057075.db2.gz HKYIAUTYAMOQRE-GOSISDBHSA-N 2 0 321.509 2.630 20 0 DFADRP Cc1nn(C(C)(C)C)c(C)c1CN1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000580833678 430156353 /nfs/dbraw/zinc/15/63/53/430156353.db2.gz AHLCRZNZNNEUQQ-SFHVURJKSA-N 2 0 304.482 2.830 20 0 DFADRP CC(C)[NH+]1CCC([N@H+](C)Cc2cccn(C(F)F)c2=O)CC1 ZINC000637889008 430161912 /nfs/dbraw/zinc/16/19/12/430161912.db2.gz MHFMHPBJPKQBGB-UHFFFAOYSA-N 2 0 313.392 2.548 20 0 DFADRP CC(C)(C)c1cn2c(n1)CC[C@@H](Nc1nc3ccccc3[nH]1)C2 ZINC000535692679 430165180 /nfs/dbraw/zinc/16/51/80/430165180.db2.gz KABZNMGKFCXVCZ-GFCCVEGCSA-N 2 0 309.417 2.906 20 0 DFADRP C[C@H]1C[C@@H]([NH3+])CC[N@@H+]1Cc1ccc(OCc2ccncc2)cc1 ZINC000581019693 430170320 /nfs/dbraw/zinc/17/03/20/430170320.db2.gz MLMOCFZKAKOHRJ-YJBOKZPZSA-N 2 0 311.429 2.972 20 0 DFADRP C[NH2+]Cc1cccc(NC(=O)[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000637808828 430135126 /nfs/dbraw/zinc/13/51/26/430135126.db2.gz GNRHSXHGNNWFIY-GOSISDBHSA-N 2 0 323.440 2.867 20 0 DFADRP C[NH+]1CCC(N2CC[C@H]([NH2+][C@H]3CCCc4sccc43)C2)CC1 ZINC000370638886 277029116 /nfs/dbraw/zinc/02/91/16/277029116.db2.gz ZZJCFEBCAFABLZ-YOEHRIQHSA-N 2 0 319.518 2.884 20 0 DFADRP C[C@@H]1CCCC[N@@H+]1CCC1CCN(CC23CC(C2)C[NH2+]3)CC1 ZINC000634993208 430185023 /nfs/dbraw/zinc/18/50/23/430185023.db2.gz NMCBPMNLMZLVRL-IPJUCJBFSA-N 2 0 305.510 2.715 20 0 DFADRP Brc1cccc2c1C[C@@H]1[C@H]([NH2+]C[C@H]3CCC[NH2+]C3)[C@H]21 ZINC000634997164 430187307 /nfs/dbraw/zinc/18/73/07/430187307.db2.gz FDXVAZVGXHAVBF-CEFQPYBMSA-N 2 0 321.262 2.676 20 0 DFADRP C[N@@H+]1CCC[C@H]1CC[NH+]1CCC[C@@H](C(=O)NC2CCCCC2)C1 ZINC000371330124 277077864 /nfs/dbraw/zinc/07/78/64/277077864.db2.gz QVEDRJBFIALDCC-AEFFLSMTSA-N 2 0 321.509 2.632 20 0 DFADRP CCCCOc1ccc(C[N@@H+]2C[C@H](C)[C@H](C[NH3+])C2)cc1OC ZINC000635000236 430188859 /nfs/dbraw/zinc/18/88/59/430188859.db2.gz JYAGHONMXHIHEG-GOEBONIOSA-N 2 0 306.450 2.901 20 0 DFADRP CCCC[N@H+](C)C[C@H](C)NC(=O)c1ccc(CC[NH+](C)C)cc1 ZINC000563403669 430189470 /nfs/dbraw/zinc/18/94/70/430189470.db2.gz MPFMLEVFNWZDIV-INIZCTEOSA-N 2 0 319.493 2.641 20 0 DFADRP C[NH+]1CCN(c2ccc(C[NH2+][C@@H]3CCC(C)(C)C3)cn2)CC1 ZINC000296389099 277113011 /nfs/dbraw/zinc/11/30/11/277113011.db2.gz KWAFAXNTOPKQAJ-MRXNPFEDSA-N 2 0 302.466 2.502 20 0 DFADRP C[C@H](NC[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1C)c1c[nH+]ccc1N ZINC000635002993 430191333 /nfs/dbraw/zinc/19/13/33/430191333.db2.gz DEMCJLXYHVSTGW-RYRKJORJSA-N 2 0 324.472 2.913 20 0 DFADRP CCC(CC)NC(=O)[C@@H](C)[N@H+](C)CCCC[NH+]1CCCCC1 ZINC000640530331 430192486 /nfs/dbraw/zinc/19/24/86/430192486.db2.gz BUKAMJWGOAEJDW-MRXNPFEDSA-N 2 0 311.514 2.878 20 0 DFADRP C[C@H](NC[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1C)[C@H]1CCC[NH2+]C1 ZINC000635005167 430193585 /nfs/dbraw/zinc/19/35/85/430193585.db2.gz RXNQACCTIKFPDT-UMGGQSCQSA-N 2 0 315.505 2.732 20 0 DFADRP COc1cc(NC(C)=O)ccc1[C@H](C)[NH2+][C@H]1CC[C@H](C[NH3+])CC1 ZINC000635004692 430193761 /nfs/dbraw/zinc/19/37/61/430193761.db2.gz JZUCQJCSBNEXHX-QEJZJMRPSA-N 2 0 319.449 2.822 20 0 DFADRP COc1ccc(C[C@@H](C)[NH2+]CC[C@@H]([NH3+])Cc2ccccc2)cn1 ZINC000635004912 430193921 /nfs/dbraw/zinc/19/39/21/430193921.db2.gz GETHSPKFSMYMPJ-CRAIPNDOSA-N 2 0 313.445 2.571 20 0 DFADRP C[N@@H+]1CC[C@H]([NH2+]Cc2ccccc2Cn2cccn2)[C@H]2CCC[C@H]21 ZINC000367601063 277172438 /nfs/dbraw/zinc/17/24/38/277172438.db2.gz MELQDQLTICDHRY-HSALFYBXSA-N 2 0 324.472 2.894 20 0 DFADRP COC1(C[NH2+]CCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CCCCC1 ZINC000359741123 277187168 /nfs/dbraw/zinc/18/71/68/277187168.db2.gz GFFWHPKKFVPGOA-CALCHBBNSA-N 2 0 312.498 2.815 20 0 DFADRP C[N@H+]1C[C@@H]2C[NH+]([C@H]3CC(C)(C)Oc4cc(F)ccc43)C[C@@H]2C1 ZINC000367327501 277198825 /nfs/dbraw/zinc/19/88/25/277198825.db2.gz QVKXPXKZIOHANS-ZENOOKHLSA-N 2 0 304.409 2.921 20 0 DFADRP Cc1nc([C@@H](C)Nc2cc(N3CC[NH2+]CC3)cc[nH+]2)c(C)s1 ZINC000635008327 430195347 /nfs/dbraw/zinc/19/53/47/430195347.db2.gz ITOILMLMKYZUSG-LLVKDONJSA-N 2 0 317.462 2.738 20 0 DFADRP C[C@H]([NH2+][C@H]1CC[NH2+]CC(C)(C)C1)c1ccccc1-n1ccnn1 ZINC000635012369 430195865 /nfs/dbraw/zinc/19/58/65/430195865.db2.gz TXKZUJRPPRLWOX-GJZGRUSLSA-N 2 0 313.449 2.696 20 0 DFADRP C[C@@H](CC(=O)Nc1ccccc1)[NH2+][C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000635012508 430196014 /nfs/dbraw/zinc/19/60/14/430196014.db2.gz UKCVKTBAFSVHMW-GOEBONIOSA-N 2 0 303.450 2.772 20 0 DFADRP C[C@H]1CC[NH2+]CC[C@@H]1[NH2+]C[C@@H]1CCO[C@H]1c1ccc(F)cc1 ZINC000635010739 430196168 /nfs/dbraw/zinc/19/61/68/430196168.db2.gz AWCDHULGJSWZMX-IKICRFKJSA-N 2 0 306.425 2.881 20 0 DFADRP CC(C)[C@H]1CN([C@H]2CC[NH2+][C@@H](c3ccccc3)C2)CC[N@@H+]1C ZINC000635014138 430197411 /nfs/dbraw/zinc/19/74/11/430197411.db2.gz YHHXHDCESBXJRH-IPMKNSEASA-N 2 0 301.478 2.752 20 0 DFADRP COc1ccc(COCCC[NH2+][C@@H](C)[C@@H]2CCC[NH2+]C2)cc1 ZINC000581304656 430197935 /nfs/dbraw/zinc/19/79/35/430197935.db2.gz VKYVKVQZVMDXDM-DOTOQJQBSA-N 2 0 306.450 2.580 20 0 DFADRP C[C@H]([NH2+][C@H]1CC[NH2+]CC(C)(C)C1)c1ccc(C(=O)N(C)C)cc1 ZINC000635013615 430198041 /nfs/dbraw/zinc/19/80/41/430198041.db2.gz ZUFHFEDKTCGJDY-YOEHRIQHSA-N 2 0 317.477 2.817 20 0 DFADRP CC(C)[C@H]1CN([C@@H]2CC[NH2+][C@@H](c3ccccc3)C2)CC[N@@H+]1C ZINC000635014137 430198566 /nfs/dbraw/zinc/19/85/66/430198566.db2.gz YHHXHDCESBXJRH-GUDVDZBRSA-N 2 0 301.478 2.752 20 0 DFADRP CC(C)C(=O)N1CCC([NH2+]C2CC[NH+](C3CCCC3)CC2)CC1 ZINC000150937507 277328045 /nfs/dbraw/zinc/32/80/45/277328045.db2.gz JAPDLQAHWLROPF-UHFFFAOYSA-N 2 0 321.509 2.630 20 0 DFADRP CC[NH+](CC)Cc1ccc(CNC(=O)[C@@H]([NH3+])CCC(C)C)cc1 ZINC000638053620 430221538 /nfs/dbraw/zinc/22/15/38/430221538.db2.gz KNXXQXYCRDNSHC-SFHVURJKSA-N 2 0 319.493 2.908 20 0 DFADRP CC[NH2+][C@H](C)C(=O)NCc1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000638063344 430223491 /nfs/dbraw/zinc/22/34/91/430223491.db2.gz LUAPXMHNSYVCSX-JKSUJKDBSA-N 2 0 317.477 2.533 20 0 DFADRP CC(C)CC[C@H]([NH3+])C(=O)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000638065594 430223862 /nfs/dbraw/zinc/22/38/62/430223862.db2.gz VGBSVVFUYZPEID-SFHVURJKSA-N 2 0 317.477 2.662 20 0 DFADRP CC(C)C[NH+]1CCC(NC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)CC1 ZINC000354783283 277385439 /nfs/dbraw/zinc/38/54/39/277385439.db2.gz FSPOSRGWKCTDSX-GOSISDBHSA-N 2 0 323.525 2.734 20 0 DFADRP C[NH+](C)Cc1ccccc1C(=O)NCC(C)(C)[NH+]1CCCCC1 ZINC000565457321 430212460 /nfs/dbraw/zinc/21/24/60/430212460.db2.gz WEFWNOFPFDEEHO-UHFFFAOYSA-N 2 0 317.477 2.743 20 0 DFADRP COc1cc2c(cc1OC)[C@@H]([N@H+](C)CC1CC[NH+](C)CC1)CC2 ZINC000638028541 430213140 /nfs/dbraw/zinc/21/31/40/430213140.db2.gz GPJKWUPJSOOIQY-KRWDZBQOSA-N 2 0 318.461 2.965 20 0 DFADRP Cc1cc(C[NH3+])oc1C(=O)NCC1CC[NH+](CCC(C)C)CC1 ZINC000638129898 430245822 /nfs/dbraw/zinc/24/58/22/430245822.db2.gz APJQKURAWJMJCE-UHFFFAOYSA-N 2 0 321.465 2.535 20 0 DFADRP Cc1scc(C[N@@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@@H](C)C2)c1C ZINC000638138204 430248679 /nfs/dbraw/zinc/24/86/79/430248679.db2.gz XTRCUQUAZQPOFX-KBXCAEBGSA-N 2 0 321.534 2.823 20 0 DFADRP CCN(C)c1ccc(CN2CCCC[C@H]2[C@@H]2CCC[NH2+]2)cn1 ZINC000566225479 430250501 /nfs/dbraw/zinc/25/05/01/430250501.db2.gz QBGIFVNAQOMIKK-IRXDYDNUSA-N 2 0 302.466 2.644 20 0 DFADRP CC[C@]1(C[NH2+][C@@H]2CN(C3CC3)C[C@H]2C)OCCc2ccccc21 ZINC000581973460 430256435 /nfs/dbraw/zinc/25/64/35/430256435.db2.gz OMINJMMMAVJNIL-CDHQVMDDSA-N 2 0 314.473 2.937 20 0 DFADRP COc1cncc(C[N@@H+]2CC[C@@H](C)[C@H](n3ccnc3)C2)c1C ZINC000638173282 430258652 /nfs/dbraw/zinc/25/86/52/430258652.db2.gz VFJPKOAUELXITG-CZUORRHYSA-N 2 0 300.406 2.678 20 0 DFADRP C[C@@H]1CCCC[N@@H+]1CCCNC(=O)[C@H]1CCCCCC[C@@H]1[NH3+] ZINC000581999745 430258877 /nfs/dbraw/zinc/25/88/77/430258877.db2.gz FVPPPYCRAPPVMX-IKGGRYGDSA-N 2 0 309.498 2.665 20 0 DFADRP C[N@@H+]1CCC[C@@H]2C[NH+](C[C@H]3CCN(c4ccccc4)C3)CC[C@@H]21 ZINC000638176454 430261502 /nfs/dbraw/zinc/26/15/02/430261502.db2.gz DTKQPCGIDTUCIA-GGPKGHCWSA-N 2 0 313.489 2.929 20 0 DFADRP CC[NH+](CC)[C@@H](C(=O)N[C@H](C[NH3+])CC(C)C)c1ccccc1 ZINC000582065470 430266421 /nfs/dbraw/zinc/26/64/21/430266421.db2.gz OVXYVRRJGMQAPW-DLBZAZTESA-N 2 0 305.466 2.559 20 0 DFADRP CC[C@@H]1CCC[C@@H]1[NH2+]Cc1ccccc1C[N@@H+]1CC[C@@H](O)C1 ZINC000542852049 430230283 /nfs/dbraw/zinc/23/02/83/430230283.db2.gz OSWWUPLURXVNBR-LZQZEXGQSA-N 2 0 302.462 2.922 20 0 DFADRP C[NH+]1CCN(c2cccc(Cl)c2C[NH2+][C@H]2[C@@H]3CCC[C@@H]32)CC1 ZINC000581678442 430232576 /nfs/dbraw/zinc/23/25/76/430232576.db2.gz ONGWMMJKRGVWET-UOIKSKOESA-N 2 0 319.880 2.980 20 0 DFADRP CC(C)c1ncc(C[NH+]2CCC([C@@H]3OCCC[C@H]3[NH3+])CC2)s1 ZINC000581713911 430234037 /nfs/dbraw/zinc/23/40/37/430234037.db2.gz BNRQOKJJQLFFEB-CVEARBPZSA-N 2 0 323.506 2.985 20 0 DFADRP C[NH+]1CCC(N2CCC([NH2+]C[C@@H]3CC[C@H]4C[C@H]4C3)CC2)CC1 ZINC000638460600 430348769 /nfs/dbraw/zinc/34/87/69/430348769.db2.gz ZWXHRUOVNHOLBJ-IXDOHACOSA-N 2 0 305.510 2.571 20 0 DFADRP Cc1cc(C[NH3+])oc1C(=O)N1CCC[C@H]([NH+]2[C@@H](C)CC[C@@H]2C)C1 ZINC000638272961 430289938 /nfs/dbraw/zinc/28/99/38/430289938.db2.gz FTJQNBZGOVGZGU-KKUMJFAQSA-N 2 0 319.449 2.524 20 0 DFADRP CC[C@H]([NH2+]C1CC[NH+](CC(C)(C)O)CC1)c1ccc(OC)cc1 ZINC000638282585 430294234 /nfs/dbraw/zinc/29/42/34/430294234.db2.gz FOOFVIDAQSYBKB-SFHVURJKSA-N 2 0 320.477 2.971 20 0 DFADRP C[NH+](C)CCCN[C@H]1CC[N@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000638289393 430295466 /nfs/dbraw/zinc/29/54/66/430295466.db2.gz HPKMZKLTADPLNU-HKUYNNGSSA-N 2 0 301.478 2.896 20 0 DFADRP CO[C@H](C[NH2+]CCC[N@H+](C)C1CCCCC1)C1CCOCC1 ZINC000638300898 430296754 /nfs/dbraw/zinc/29/67/54/430296754.db2.gz LAOHVWYFXWJSHX-GOSISDBHSA-N 2 0 312.498 2.672 20 0 DFADRP C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)CC[C@@H]([NH3+])c1ccccc1 ZINC000582481324 430303153 /nfs/dbraw/zinc/30/31/53/430303153.db2.gz ROOGETIIULKGEM-CRAIPNDOSA-N 2 0 317.477 2.655 20 0 DFADRP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+]CC1C[C@H](C)O[C@@H](C)C1 ZINC000545252807 430310505 /nfs/dbraw/zinc/31/05/05/430310505.db2.gz SLMPNGDNDAOEBL-KBPBESRZSA-N 2 0 314.433 2.869 20 0 DFADRP [NH3+]CCC1CC[NH+]([C@@H]2CCN(c3ccc(Cl)cc3)C2=O)CC1 ZINC000568057004 430311508 /nfs/dbraw/zinc/31/15/08/430311508.db2.gz KTJWLHGPNXUNTA-MRXNPFEDSA-N 2 0 321.852 2.506 20 0 DFADRP CC(C)(O)C[NH+]1CCC([NH2+]CC(C)(C)c2ccccc2)CC1 ZINC000638358225 430314691 /nfs/dbraw/zinc/31/46/91/430314691.db2.gz VHTYXGTXKISQEH-UHFFFAOYSA-N 2 0 304.478 2.789 20 0 DFADRP [NH3+][C@@H]1CCC[C@@H]([NH2+]CCOc2cccc(Br)c2)C1 ZINC000568107713 430319491 /nfs/dbraw/zinc/31/94/91/430319491.db2.gz WITLKWXOMNZXTP-CHWSQXEVSA-N 2 0 313.239 2.687 20 0 DFADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCC[NH2+]Cc2c[nH]c3ncncc23)C1 ZINC000638372681 430320787 /nfs/dbraw/zinc/32/07/87/430320787.db2.gz YGSGSDKFRXVVLU-GASCZTMLSA-N 2 0 315.465 2.757 20 0 DFADRP CC(C)(O)C[NH+]1CCC([NH2+]CCc2ccc(Cl)s2)CC1 ZINC000638375680 430321754 /nfs/dbraw/zinc/32/17/54/430321754.db2.gz CSZUXSFCTVKSNH-UHFFFAOYSA-N 2 0 316.898 2.769 20 0 DFADRP CCCOc1ccc(C[NH2+]C2CC[NH+](CC(C)(C)O)CC2)cc1 ZINC000638376704 430322156 /nfs/dbraw/zinc/32/21/56/430322156.db2.gz CIQUIIGGSXNOBJ-UHFFFAOYSA-N 2 0 320.477 2.800 20 0 DFADRP C[C@@H]1CN(Cc2cccc(C[NH2+]CCC[C@H]3CCO3)c2)CCO1 ZINC000638421479 430337428 /nfs/dbraw/zinc/33/74/28/430337428.db2.gz WNFBZIZMHVSTNI-APWZRJJASA-N 2 0 318.461 2.566 20 0 DFADRP CSc1ccc(C[NH2+]C2CC[NH+](CC(C)(C)O)CC2)cc1 ZINC000638420316 430337798 /nfs/dbraw/zinc/33/77/98/430337798.db2.gz WFODZRMTZKJJME-UHFFFAOYSA-N 2 0 308.491 2.733 20 0 DFADRP CO[C@H](C[NH2+]C1CC[NH+](C2CCC2)CC1)Cc1ccccc1 ZINC000638427656 430339217 /nfs/dbraw/zinc/33/92/17/430339217.db2.gz WYLINCYLDPADKJ-IBGZPJMESA-N 2 0 302.462 2.851 20 0 DFADRP CO[C@@H](C[NH2+]Cc1cccc(C[N@H+](C)C(C)C)c1)[C@@H]1CCOC1 ZINC000638434117 430341834 /nfs/dbraw/zinc/34/18/34/430341834.db2.gz HSYFANSKPFAYOF-MOPGFXCFSA-N 2 0 320.477 2.668 20 0 DFADRP C[C@@H]1C[N@@H+](Cc2cccc(N[C@@H]3CCC[C@@H]3C[NH3+])c2)C[C@H](C)O1 ZINC000582899180 430345432 /nfs/dbraw/zinc/34/54/32/430345432.db2.gz BCHGIJJYKGBMQZ-LORHWOILSA-N 2 0 317.477 2.835 20 0 DFADRP CCc1oc2ccccc2c1CN1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1 ZINC000568989863 430411832 /nfs/dbraw/zinc/41/18/32/430411832.db2.gz RGQXIRKHCGLCOS-DOTOQJQBSA-N 2 0 324.428 2.655 20 0 DFADRP C[C@H]1CCC[N@H+](Cc2ccc(NC(=O)CCCC[NH3+])cc2)C1 ZINC000568997897 430414164 /nfs/dbraw/zinc/41/41/64/430414164.db2.gz SKAMUUQFIZZBSR-HNNXBMFYSA-N 2 0 303.450 2.986 20 0 DFADRP [NH3+][C@@H]1CCC[C@@H]([NH2+]Cc2c(Cl)cccc2-n2ccnc2)C1 ZINC000569018688 430415438 /nfs/dbraw/zinc/41/54/38/430415438.db2.gz CQWNTAIBNWGIRN-CHWSQXEVSA-N 2 0 304.825 2.885 20 0 DFADRP CC[NH+](CC)[C@H](CNC(=O)C[C@@H](C)n1ccnc1)c1ccco1 ZINC000568398874 430354295 /nfs/dbraw/zinc/35/42/95/430354295.db2.gz QHAOAPRGAXPFDB-HUUCEWRRSA-N 2 0 318.421 2.627 20 0 DFADRP CC[C@@H]([NH3+])c1cn(Cc2ccc(C[NH+]3CCCCC3)cc2)nn1 ZINC000641179253 430354335 /nfs/dbraw/zinc/35/43/35/430354335.db2.gz HQGADPRKNRBACW-QGZVFWFLSA-N 2 0 313.449 2.722 20 0 DFADRP CC(C)Oc1ccnc(Cn2cc([C@@H]([NH3+])c3ccccc3)nn2)c1 ZINC000641205501 430360995 /nfs/dbraw/zinc/36/09/95/430360995.db2.gz XNFXYTGOQKOHAZ-SFHVURJKSA-N 2 0 323.400 2.557 20 0 DFADRP C[C@@H]([NH2+]CCc1ccc(OCC[NH+](C)C)cc1)[C@@H]1CC1(F)F ZINC000638540061 430372338 /nfs/dbraw/zinc/37/23/38/430372338.db2.gz YEVWJDLKPKSJTC-CJNGLKHVSA-N 2 0 312.404 2.803 20 0 DFADRP CC1=C(C)C[C@H]([C@@H](C)[NH2+]C[C@H](C)CN2CC[NH+](C)CC2)CC1 ZINC000638555901 430374676 /nfs/dbraw/zinc/37/46/76/430374676.db2.gz ZROBTVUWRQMRBK-KFKAGJAMSA-N 2 0 307.526 2.985 20 0 DFADRP C[C@@H](C[NH2+]C1CCC(=C2CCC2)CC1)CN1CC[NH+](C)CC1 ZINC000638553090 430375614 /nfs/dbraw/zinc/37/56/14/430375614.db2.gz QUIYCIHUDVFVER-INIZCTEOSA-N 2 0 305.510 2.883 20 0 DFADRP C[C@H](C[NH2+]C1CC[NH+](CC(C)(C)O)CC1)c1ccc(F)cc1 ZINC000638564937 430378045 /nfs/dbraw/zinc/37/80/45/430378045.db2.gz OYFWXDLEEBVLHD-CQSZACIVSA-N 2 0 308.441 2.754 20 0 DFADRP CC[NH+](CC)Cc1ccc(NC(=O)C[N@@H+]2CC[C@@H](C)C2)cc1 ZINC000568645830 430379819 /nfs/dbraw/zinc/37/98/19/430379819.db2.gz ADQVHTUPKUAUBA-OAHLLOKOSA-N 2 0 303.450 2.809 20 0 DFADRP C[C@@H](C[NH2+][C@H]1CCN(C2CC[NH+](C)CC2)C1)C1CCCCC1 ZINC000638588792 430383496 /nfs/dbraw/zinc/38/34/96/430383496.db2.gz NRANZITZUDZQIQ-WMZOPIPTSA-N 2 0 307.526 2.961 20 0 DFADRP CCn1c2ccccc2nc1C[N@@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000568761791 430390063 /nfs/dbraw/zinc/39/00/63/430390063.db2.gz IMKWWMXXXJGOBR-HZPDHXFCSA-N 2 0 312.461 2.878 20 0 DFADRP CC(C)(C[NH2+]CCCC[N@@H+]1CCC[C@H]1CO)Oc1ccccc1 ZINC000638620513 430391939 /nfs/dbraw/zinc/39/19/39/430391939.db2.gz RWPFNVFCGZQZRX-KRWDZBQOSA-N 2 0 320.477 2.671 20 0 DFADRP C[N@H+](CCCO)C1CCN(c2cc(C(C)(C)C)ccn2)CC1 ZINC000641383216 430392385 /nfs/dbraw/zinc/39/23/85/430392385.db2.gz YVZULUHGHVRFHN-UHFFFAOYSA-N 2 0 305.466 2.662 20 0 DFADRP CC(C)[N@@H+]1CCC[C@H](CNC(=O)CC[NH+](C)C2CCCCC2)C1 ZINC000547429977 430393069 /nfs/dbraw/zinc/39/30/69/430393069.db2.gz SQZLKZOYWLUNGW-QGZVFWFLSA-N 2 0 323.525 2.878 20 0 DFADRP CC[NH+](CC)C[C@H]1CCCC[C@@H]1NC(=O)CCCC[NH+](C)C ZINC000568825856 430394667 /nfs/dbraw/zinc/39/46/67/430394667.db2.gz DQYISNLRHWJBAQ-SJORKVTESA-N 2 0 311.514 2.735 20 0 DFADRP CCC(C)(C)[NH2+][C@H](C)C(=O)N1CCC(C[N@H+](C)C(C)C)CC1 ZINC000547469657 430396753 /nfs/dbraw/zinc/39/67/53/430396753.db2.gz WRIJJBKREYDVNC-OAHLLOKOSA-N 2 0 311.514 2.732 20 0 DFADRP CC(C)(C)c1nnc(CN[C@H]2CC[NH2+][C@H](c3ccccc3)C2)[nH]1 ZINC000568868789 430400746 /nfs/dbraw/zinc/40/07/46/430400746.db2.gz LBIDYSVBSDVROZ-GJZGRUSLSA-N 2 0 313.449 2.685 20 0 DFADRP CC(C)(O)C[NH+]1CCC([NH2+]CCc2cc3ccccc3o2)CC1 ZINC000638658605 430403422 /nfs/dbraw/zinc/40/34/22/430403422.db2.gz YSLLPDHJTVMDPC-UHFFFAOYSA-N 2 0 316.445 2.800 20 0 DFADRP CN(Cc1ccccc1)[C@@H](C[NH2+]C[C@@H](O)C(C)(C)C)C1CC1 ZINC000568976627 430411246 /nfs/dbraw/zinc/41/12/46/430411246.db2.gz ADNQCDOGKQZUAH-ZWKOTPCHSA-N 2 0 304.478 2.894 20 0 DFADRP C[C@@H]1C[C@H](N(C)C(=O)CC[NH+](C)C2CCCCC2)CC[N@@H+]1C ZINC000548060382 430441242 /nfs/dbraw/zinc/44/12/42/430441242.db2.gz WGHYGWIDVNSQDB-NVXWUHKLSA-N 2 0 309.498 2.582 20 0 DFADRP C[C@H]1CCC[N@H+](CCCC[NH2+]Cc2ccc3[nH]c(=O)[nH]c3c2)C1 ZINC000641707677 430447727 /nfs/dbraw/zinc/44/77/27/430447727.db2.gz OWXVKAKOFGSENX-AWEZNQCLSA-N 2 0 316.449 2.870 20 0 DFADRP C[NH+](C)Cc1ccc(NC(=O)[C@@H]2CCCCCC[C@@H]2[NH3+])cc1 ZINC000583992029 430448243 /nfs/dbraw/zinc/44/82/43/430448243.db2.gz KSARFHZCLFOZNI-SJORKVTESA-N 2 0 303.450 2.984 20 0 DFADRP COCC1(C[NH2+]CC2CCN(c3cc[nH+]cc3)CC2)CCC1 ZINC000638836907 430449442 /nfs/dbraw/zinc/44/94/42/430449442.db2.gz MCVMYWJQDOSWHH-UHFFFAOYSA-N 2 0 303.450 2.704 20 0 DFADRP CC[C@@H](C)[C@H](C[NH2+]CC1CCN(c2cc[nH+]cc2)CC1)OC ZINC000638836344 430449517 /nfs/dbraw/zinc/44/95/17/430449517.db2.gz FHKNTAQOJFKLLQ-QAPCUYQASA-N 2 0 305.466 2.949 20 0 DFADRP CC(C)[N@@H+]1CCC[C@@H](C[NH2+]C[C@@H](O)Cc2cccc(Cl)c2)C1 ZINC000584048124 430453782 /nfs/dbraw/zinc/45/37/82/430453782.db2.gz DLHTXCJNUFFTTL-WMZOPIPTSA-N 2 0 324.896 2.953 20 0 DFADRP COc1ccccc1N1CC[C@H]([NH2+][C@H]2CCCCC[C@H]2[NH3+])C1 ZINC000569472747 430456467 /nfs/dbraw/zinc/45/64/67/430456467.db2.gz MVKYMEUNBPVCJG-XHSDSOJGSA-N 2 0 303.450 2.524 20 0 DFADRP C[C@H]([NH3+])c1ccc(C(=O)N2CCC(C)([NH+]3CCCC3)CC2)cc1 ZINC000638861018 430458138 /nfs/dbraw/zinc/45/81/38/430458138.db2.gz LJUQADSADYVMEW-HNNXBMFYSA-N 2 0 315.461 2.797 20 0 DFADRP CCC1([NH+]2CCCC2)CCN(C(=O)CC[C@@H]2CCC[NH2+]C2)CC1 ZINC000638861645 430459531 /nfs/dbraw/zinc/45/95/31/430459531.db2.gz DCICXRJVORULRG-KRWDZBQOSA-N 2 0 321.509 2.633 20 0 DFADRP C[C@@H](CN1CC[NH+](C)CC1)[NH2+][C@@H](c1ccccc1)C1CCC1 ZINC000641774075 430468383 /nfs/dbraw/zinc/46/83/83/430468383.db2.gz BLBRQHNVQWIVCE-LPHOPBHVSA-N 2 0 301.478 2.753 20 0 DFADRP C[C@@H](C[NH2+][C@@H](c1ccccc1)C1CCC1)N1CC[NH+](C)CC1 ZINC000641776255 430470812 /nfs/dbraw/zinc/47/08/12/430470812.db2.gz VXRFBFYHSQPGJK-LPHOPBHVSA-N 2 0 301.478 2.753 20 0 DFADRP FC(F)(F)CO[C@@H]1CCCN(CCC[NH+]2CCCCC2)C1 ZINC000548403847 430470947 /nfs/dbraw/zinc/47/09/47/430470947.db2.gz GMCLRSSQARKTIT-CQSZACIVSA-N 2 0 308.388 2.906 20 0 DFADRP C[C@H](C[NH2+][C@@H](c1ccccc1)C1CCC1)N1CC[NH+](C)CC1 ZINC000641776254 430471054 /nfs/dbraw/zinc/47/10/54/430471054.db2.gz VXRFBFYHSQPGJK-APWZRJJASA-N 2 0 301.478 2.753 20 0 DFADRP Cn1cc([C@@H]2C[N@H+](CCC[NH+]3CCCCC3)CC2(C)C)cn1 ZINC000569658261 430473310 /nfs/dbraw/zinc/47/33/10/430473310.db2.gz LUPDIIZMEZQUBZ-KRWDZBQOSA-N 2 0 304.482 2.722 20 0 DFADRP C[C@H](C(=O)N(C)C(C)(C)C[NH+]1CCCC1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000584339893 430474883 /nfs/dbraw/zinc/47/48/83/430474883.db2.gz HUQIPISRLOAWMF-OWCLPIDISA-N 2 0 309.498 2.581 20 0 DFADRP CC1(C)[C@H]([NH2+]Cc2cccc(OCc3ccccn3)c2)C[C@@H]1[NH3+] ZINC000641801255 430476229 /nfs/dbraw/zinc/47/62/29/430476229.db2.gz OOTIXOMFUCOFBH-ZWKOTPCHSA-N 2 0 311.429 2.876 20 0 DFADRP CC1(C)[C@H]([NH3+])C[C@H]1[NH2+]Cc1ccc(OCc2cccnc2)cc1 ZINC000641801350 430476240 /nfs/dbraw/zinc/47/62/40/430476240.db2.gz BNDGVYYOGNKNGI-QZTJIDSGSA-N 2 0 311.429 2.876 20 0 DFADRP CCCc1nc(C)c(C[NH+]2CCC([C@H]3OCCC[C@@H]3[NH3+])CC2)o1 ZINC000641799858 430476355 /nfs/dbraw/zinc/47/63/55/430476355.db2.gz RPILREJRNHJBSH-MAUKXSAKSA-N 2 0 321.465 2.654 20 0 DFADRP [NH3+][C@@H]1CCO[C@@H](C2CC[NH+](C[C@@H]3CCC4(CCCC4)O3)CC2)C1 ZINC000641799655 430477062 /nfs/dbraw/zinc/47/70/62/430477062.db2.gz OPQCFCFICMBFTM-FGTMMUONSA-N 2 0 322.493 2.697 20 0 DFADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+]Cc1cnn(Cc2ccccc2)c1 ZINC000569083440 430421625 /nfs/dbraw/zinc/42/16/25/430421625.db2.gz PBUWHRWDYZOCSG-LPOKXYRGSA-N 2 0 310.445 2.537 20 0 DFADRP Cc1ccc(CC[NH2+]C2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)cc1 ZINC000638751733 430423868 /nfs/dbraw/zinc/42/38/68/430423868.db2.gz SKMNPFMGZRPNGU-WOJBJXKFSA-N 2 0 316.489 2.895 20 0 DFADRP CO[C@H](C[NH2+]C1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1)C1CCCC1 ZINC000638749877 430424487 /nfs/dbraw/zinc/42/44/87/430424487.db2.gz MBQAGWLRMCMVSX-GUDVDZBRSA-N 2 0 324.509 2.549 20 0 DFADRP Cn1ccnc1[C@H]1CC[N@H+](CC(=O)c2c[nH]c3ccccc23)C1 ZINC000569136506 430426344 /nfs/dbraw/zinc/42/63/44/430426344.db2.gz KFPYMRDLHKQWLW-ZDUSSCGKSA-N 2 0 308.385 2.574 20 0 DFADRP C[C@@H]1COCCN1C1CC[NH+](Cc2ccc3c(c2)CCC3)CC1 ZINC000583850532 430432723 /nfs/dbraw/zinc/43/27/23/430432723.db2.gz WSGOIMIGANZAPU-MRXNPFEDSA-N 2 0 314.473 2.860 20 0 DFADRP C[C@@H]([NH2+][C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1)C(C)(C)n1cncn1 ZINC000638969776 430483620 /nfs/dbraw/zinc/48/36/20/430483620.db2.gz IOQLTGDTESUQMR-XHSDSOJGSA-N 2 0 319.497 2.644 20 0 DFADRP CCCN(C[C@@H](O)C[N@H+](C)CC)[C@@H](C)c1ccccc1OC ZINC000570408131 430540345 /nfs/dbraw/zinc/54/03/45/430540345.db2.gz WXOHHYLJAPKTEQ-HOTGVXAUSA-N 2 0 308.466 2.781 20 0 DFADRP CC[C@H](CC(=O)Nc1cc(N2CC[NH2+]CC2)cc[nH+]1)C(C)C ZINC000638986724 430488218 /nfs/dbraw/zinc/48/82/18/430488218.db2.gz YZBBEUTUOXSFFG-CQSZACIVSA-N 2 0 304.438 2.502 20 0 DFADRP [NH3+]CC1(NC(=O)c2cccc(C[NH+]3CCCC3)c2)CCCCC1 ZINC000638997647 430491362 /nfs/dbraw/zinc/49/13/62/430491362.db2.gz WIDLGRKVJRJCDK-UHFFFAOYSA-N 2 0 315.461 2.674 20 0 DFADRP CC[NH+](CC)Cc1ccc(C(=O)NC2(C[NH3+])CCCCC2)o1 ZINC000638996427 430491401 /nfs/dbraw/zinc/49/14/01/430491401.db2.gz HVFIICYQKZVQOT-UHFFFAOYSA-N 2 0 307.438 2.513 20 0 DFADRP Cc1cc(NCC[NH2+]C2CC2)c2cc(OC(F)F)ccc2[nH+]1 ZINC000643002158 430540897 /nfs/dbraw/zinc/54/08/97/430540897.db2.gz CQVCTNBLIJEZBV-UHFFFAOYSA-N 2 0 307.344 2.730 20 0 DFADRP c1cn([C@H]2CCc3ccccc3[C@@H]2NCc2cnccn2)cn1 ZINC000569934437 430500058 /nfs/dbraw/zinc/50/00/58/430500058.db2.gz CAYDDUWFRUVODA-ROUUACIJSA-N 2 0 305.385 2.692 20 0 DFADRP Cc1cnccc1CCN1CC[NH+](CCc2cccs2)CC1 ZINC000570039184 430508331 /nfs/dbraw/zinc/50/83/31/430508331.db2.gz RGZRSMLEKNDCPI-UHFFFAOYSA-N 2 0 315.486 2.854 20 0 DFADRP [NH3+]C[C@@H]1CCN(C(=O)C[C@H]2[NH2+]Cc3ccccc32)c2ccccc21 ZINC000639064985 430509821 /nfs/dbraw/zinc/50/98/21/430509821.db2.gz NHTVTZNSYJEUBK-KBXCAEBGSA-N 2 0 321.424 2.700 20 0 DFADRP CC[NH+](CC)CCO[C@@H]1CC[N@H+](C[C@H]2CCC3(CCCC3)O2)C1 ZINC000548918372 430511267 /nfs/dbraw/zinc/51/12/67/430511267.db2.gz PRKPXAROWRTJRG-QZTJIDSGSA-N 2 0 324.509 2.911 20 0 DFADRP Cn1cncc1CCC[N@H+](C)[C@@H](CO)c1ccc(Cl)cc1 ZINC000570104542 430513520 /nfs/dbraw/zinc/51/35/20/430513520.db2.gz LJQOKVLOONCMGF-INIZCTEOSA-N 2 0 307.825 2.672 20 0 DFADRP C[NH+]1CCN(C[C@@H]([NH2+][C@@H]2CCC[C@H]3C[C@H]32)c2ccccc2)CC1 ZINC000549033850 430515646 /nfs/dbraw/zinc/51/56/46/430515646.db2.gz BMCVYSNGYPTYGC-MTQWCTHYSA-N 2 0 313.489 2.753 20 0 DFADRP C[C@@H]1C[C@H](CC[NH2+]Cc2cnccn2)C[N@@H+]1Cc1ccccc1 ZINC000570176977 430521690 /nfs/dbraw/zinc/52/16/90/430521690.db2.gz KHAICYOELRTPLM-AEFFLSMTSA-N 2 0 310.445 2.867 20 0 DFADRP CSC[C@H](O)C[NH2+]C[C@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000570202540 430521730 /nfs/dbraw/zinc/52/17/30/430521730.db2.gz MZVLHTRZYSIQGQ-QZTJIDSGSA-N 2 0 322.518 2.602 20 0 DFADRP CSC[C@@H](O)C[NH2+]C[C@@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000570202541 430521909 /nfs/dbraw/zinc/52/19/09/430521909.db2.gz MZVLHTRZYSIQGQ-ROUUACIJSA-N 2 0 322.518 2.602 20 0 DFADRP CC(C)[N@H+](C)CC1CC[NH+](C[C@H](O)Cc2ccc(F)cc2)CC1 ZINC000549405221 430526243 /nfs/dbraw/zinc/52/62/43/430526243.db2.gz AZVBTUSXXDWDPB-LJQANCHMSA-N 2 0 322.468 2.781 20 0 DFADRP CC(C)(O)C[NH+]1CCC([NH2+]CC2CCC(F)(F)CC2)CC1 ZINC000639140087 430541799 /nfs/dbraw/zinc/54/17/99/430541799.db2.gz WOGOAJPVTKIVFZ-UHFFFAOYSA-N 2 0 304.425 2.637 20 0 DFADRP c1cnn(C2CC([NH2+]C[C@@H]3CC[N@H+](Cc4ccccc4)C3)C2)c1 ZINC000639117265 430531352 /nfs/dbraw/zinc/53/13/52/430531352.db2.gz FECNKSBBHRLSJH-VIQWUECVSA-N 2 0 310.445 2.698 20 0 DFADRP c1[nH]c2ncncc2c1C[NH2+]C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000639117309 430532496 /nfs/dbraw/zinc/53/24/96/430532496.db2.gz GFICHSDXPDVFRK-INIZCTEOSA-N 2 0 321.428 2.521 20 0 DFADRP COc1ccc(C[NH+](C)C)cc1NC(=O)c1ccc2c[nH+]cn2c1 ZINC000550222522 430540085 /nfs/dbraw/zinc/54/00/85/430540085.db2.gz OZGNZJRNOVKGJU-UHFFFAOYSA-N 2 0 324.384 2.657 20 0 DFADRP CC(C)[N@@H+]1CCC[C@@H](CN[C@H](c2ncc[nH]2)c2ccccn2)C1 ZINC000569737871 430482243 /nfs/dbraw/zinc/48/22/43/430482243.db2.gz DZNWMOHPIRRIQS-RDJZCZTQSA-N 2 0 313.449 2.604 20 0 DFADRP Cn1ccnc1[C@@H](C1CC1)[N@@H+]1CC[C@H](C2CC[NH+](C)CC2)C1 ZINC000639176480 430555560 /nfs/dbraw/zinc/55/55/60/430555560.db2.gz HVCGXSNCFMCGBT-DLBZAZTESA-N 2 0 302.466 2.535 20 0 DFADRP COC[C@@H](CCC[NH3+])[NH2+][C@@H](CN1CCCCC1)c1ccccc1 ZINC000643451855 430601271 /nfs/dbraw/zinc/60/12/71/430601271.db2.gz LJKZNCHVQSNWGC-MOPGFXCFSA-N 2 0 319.493 2.557 20 0 DFADRP CC(C)[N@@H+]1CC[C@@H](CNCc2cnn(-c3ccc(F)cc3)c2)C1 ZINC000551870365 430567444 /nfs/dbraw/zinc/56/74/44/430567444.db2.gz YMCWERQZJZRCBH-HNNXBMFYSA-N 2 0 316.424 2.831 20 0 DFADRP CC(C)[NH2+]CCC(=O)N1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000570725293 430571949 /nfs/dbraw/zinc/57/19/49/430571949.db2.gz RRUBFCYEJWVCRF-QGZVFWFLSA-N 2 0 323.525 2.878 20 0 DFADRP CC[N@H+](C)C[C@@H](O)CN1CC=C(c2cc(C)cc(C)c2)CC1 ZINC000570812459 430579852 /nfs/dbraw/zinc/57/98/52/430579852.db2.gz AGNSIOKJBFBWNH-LJQANCHMSA-N 2 0 302.462 2.705 20 0 DFADRP CC[N@H+](CCC1CC[NH+](CC[C@H]2CCNC2=O)CC1)CC(C)C ZINC000570825487 430581821 /nfs/dbraw/zinc/58/18/21/430581821.db2.gz YWUCTWVAQWPHEQ-GOSISDBHSA-N 2 0 323.525 2.593 20 0 DFADRP CO[C@@](C)(C[NH2+]Cc1ccc(OCC[NH+](C)C)cc1)C1CC1 ZINC000643338933 430586180 /nfs/dbraw/zinc/58/61/80/430586180.db2.gz GNJGDQQOMOOVQD-SFHVURJKSA-N 2 0 306.450 2.532 20 0 DFADRP CCC[NH+]1CCC(Nc2cccc(C[N@@H+]3CC[C@H](O)C3)c2)CC1 ZINC000643349121 430589678 /nfs/dbraw/zinc/58/96/78/430589678.db2.gz LGVKLVVMKXYLQS-IBGZPJMESA-N 2 0 317.477 2.540 20 0 DFADRP COc1cc(C[NH2+]CC[C@H]2CCC[N@H+](C)C2)c(Cl)cc1O ZINC000639257763 430590465 /nfs/dbraw/zinc/59/04/65/430590465.db2.gz RFAVDHADBNJAQL-GFCCVEGCSA-N 2 0 312.841 2.876 20 0 DFADRP CC[C@H](C)[C@@H](C[NH2+]CC1CC[NH+](C2CCOCC2)CC1)OC ZINC000639303956 430602236 /nfs/dbraw/zinc/60/22/36/430602236.db2.gz PRKIMDZLXHCXAG-MAUKXSAKSA-N 2 0 312.498 2.528 20 0 DFADRP O=C(C[NH2+][C@H]1CCCC[C@@H]1C1CC1)NCC[NH+]1CCCCCC1 ZINC000552279470 430593096 /nfs/dbraw/zinc/59/30/96/430593096.db2.gz MBAZCMCOUHRDNQ-MSOLQXFVSA-N 2 0 321.509 2.537 20 0 DFADRP COc1ccc([C@H](C[NH3+])CN2CCOc3ccccc3C2)cc1 ZINC000643057170 430546241 /nfs/dbraw/zinc/54/62/41/430546241.db2.gz MSTBYILWQJBCFP-QGZVFWFLSA-N 2 0 312.413 2.632 20 0 DFADRP C[C@H](C(=O)Nc1ccccc1C[NH+](C)C)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000554727474 430650830 /nfs/dbraw/zinc/65/08/30/430650830.db2.gz DAZFLODWGIGSRG-QLFBSQMISA-N 2 0 303.450 2.948 20 0 DFADRP CCC(CC)[N@H+](CC)CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000571798071 430653642 /nfs/dbraw/zinc/65/36/42/430653642.db2.gz UOLFBRXNEVJFKH-SFHVURJKSA-N 2 0 319.493 2.916 20 0 DFADRP CC[NH+](CC)CCO[C@H]1CC[N@H+](Cc2c(C)cc(C)nc2C)C1 ZINC000639508941 430658691 /nfs/dbraw/zinc/65/86/91/430658691.db2.gz UVGITTWPONOREY-SFHVURJKSA-N 3 0 319.493 2.940 20 0 DFADRP CC[NH+](CC)CCO[C@@H]1CC[N@H+](Cc2c(C)cc(C)nc2C)C1 ZINC000639508940 430659038 /nfs/dbraw/zinc/65/90/38/430659038.db2.gz UVGITTWPONOREY-GOSISDBHSA-N 3 0 319.493 2.940 20 0 DFADRP Clc1ccc(N2CC[C@@H](C[NH2+][C@@H]3CCC[NH2+]CC3)C2)cc1 ZINC000643453245 430602653 /nfs/dbraw/zinc/60/26/53/430602653.db2.gz SZGDJXGCSCFGMO-GOEBONIOSA-N 2 0 307.869 2.898 20 0 DFADRP [NH3+][C@@H]1CCC[C@@H]1[NH2+][C@H]1CCN(c2ccc(C(F)(F)F)cc2)C1 ZINC000643455569 430602691 /nfs/dbraw/zinc/60/26/91/430602691.db2.gz XIHUPNOTTKFBKT-CFVMTHIKSA-N 2 0 313.367 2.754 20 0 DFADRP FC(F)(F)c1ccc(N2CC[C@H]([NH2+]C3CC[NH2+]CC3)C2)cc1 ZINC000643455538 430602820 /nfs/dbraw/zinc/60/28/20/430602820.db2.gz RUULWHKBCDETMA-AWEZNQCLSA-N 2 0 313.367 2.626 20 0 DFADRP C[C@H]([NH2+]C[C@H]1CCN(c2ccc(F)c(F)c2)C1)[C@@H]1CCC[NH2+]1 ZINC000643453189 430602970 /nfs/dbraw/zinc/60/29/70/430602970.db2.gz MREOKYKEGOUSSR-AHIWAGSCSA-N 2 0 309.404 2.521 20 0 DFADRP CC[NH+]1CCC(C[NH2+][C@@H]2CCN[C@H](c3ccccc3)C2)CC1 ZINC000643453683 430603142 /nfs/dbraw/zinc/60/31/42/430603142.db2.gz RJZBNOXIWFLRIL-MOPGFXCFSA-N 2 0 301.478 2.801 20 0 DFADRP COC[C@H](CCC[NH3+])[NH2+]CCc1ccc(C(F)(F)F)cc1 ZINC000643456617 430603151 /nfs/dbraw/zinc/60/31/51/430603151.db2.gz NVCOMFCKGLIZEX-AWEZNQCLSA-N 2 0 304.356 2.591 20 0 DFADRP [NH3+][C@@H]1CCCCC[C@H]1[NH2+][C@@H]1CCN(c2ccc(F)cc2F)C1 ZINC000643462973 430603511 /nfs/dbraw/zinc/60/35/11/430603511.db2.gz VCQTTYUKCQZEIU-FVQBIDKESA-N 2 0 309.404 2.793 20 0 DFADRP Cc1ccccc1C[NH+]1CCC(N[C@@H](C)[C@@H]2CCC[NH2+]C2)CC1 ZINC000643463496 430603625 /nfs/dbraw/zinc/60/36/25/430603625.db2.gz GXZNIDPTKBDMTC-ZWKOTPCHSA-N 2 0 315.505 2.937 20 0 DFADRP C[C@H]([NH2+]CC(C)(C)c1ccc2c(c1)OCCO2)[C@@H]1CCC[NH2+]C1 ZINC000643459104 430603723 /nfs/dbraw/zinc/60/37/23/430603723.db2.gz WBJSKBVINTWMNX-LSDHHAIUSA-N 2 0 318.461 2.713 20 0 DFADRP CCOCCOc1cc(C)ccc1C[NH2+][C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000643461216 430604352 /nfs/dbraw/zinc/60/43/52/430604352.db2.gz WVCTZBOEUTUXLX-DLBZAZTESA-N 2 0 320.477 2.888 20 0 DFADRP Cc1cc[nH+]c(NC2CC[NH+](CC(C)(C)O)CC2)c1C1CC1 ZINC000639312431 430605831 /nfs/dbraw/zinc/60/58/31/430605831.db2.gz YOAVPIRJVJDFGL-UHFFFAOYSA-N 2 0 303.450 2.915 20 0 DFADRP C[C@H]([NH2+]CCCc1nc2c(s1)CCCC2)[C@H]1CCC[NH2+]C1 ZINC000643464287 430605865 /nfs/dbraw/zinc/60/58/65/430605865.db2.gz GARJUACZOKCKCC-KBPBESRZSA-N 2 0 307.507 2.932 20 0 DFADRP C[C@@H]([NH2+]CCc1cc(C(F)(F)F)ccn1)[C@H]1CCC[NH2+]C1 ZINC000643491027 430608649 /nfs/dbraw/zinc/60/86/49/430608649.db2.gz ROFWGQNYKDXJGS-NEPJUHHUSA-N 2 0 301.356 2.621 20 0 DFADRP Cn1ccc([C@@H]([NH2+]CC2CC[NH2+]CC2)c2ccc(Cl)cc2)n1 ZINC000643497456 430608688 /nfs/dbraw/zinc/60/86/88/430608688.db2.gz VMDDDYKXCQYXEA-KRWDZBQOSA-N 2 0 318.852 2.752 20 0 DFADRP Clc1ccc(C[NH+]2CCC(NCC[NH2+]C3CC3)CC2)cc1 ZINC000643506326 430610014 /nfs/dbraw/zinc/61/00/14/430610014.db2.gz SBNABIIOWIAJPB-UHFFFAOYSA-N 2 0 307.869 2.646 20 0 DFADRP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000643500317 430610029 /nfs/dbraw/zinc/61/00/29/430610029.db2.gz CDIFWYZQTSVHOP-SQPSOYEMSA-N 2 0 313.445 2.850 20 0 DFADRP C[C@@]1(C[NH+]2CCC([N@@H+]3CC[C@@H](O)C3)CC2)C[C@H]1c1ccccc1 ZINC000639330508 430612332 /nfs/dbraw/zinc/61/23/32/430612332.db2.gz LFHIFRXEPLEQHD-AABGKKOBSA-N 2 0 314.473 2.711 20 0 DFADRP COc1ccc2c(c1)[C@H]([NH2+][C@H]1CC13CC[NH2+]CC3)CCCO2 ZINC000643534938 430612481 /nfs/dbraw/zinc/61/24/81/430612481.db2.gz FZOUSULWRAGPKF-WBVHZDCISA-N 2 0 302.418 2.641 20 0 DFADRP COc1cc(C)c([C@@H](C)[NH2+][C@@H]2CC23CC[NH2+]CC3)cc1OC ZINC000643533814 430612594 /nfs/dbraw/zinc/61/25/94/430612594.db2.gz FNBCXCHXEKYLPG-CXAGYDPISA-N 2 0 304.434 2.805 20 0 DFADRP CC[C@H]([NH2+][C@@H]1CC12CC[NH2+]CC2)c1ccc2c(c1)OCCO2 ZINC000643534261 430613287 /nfs/dbraw/zinc/61/32/87/430613287.db2.gz PBYQSEFQTRXYBH-WMLDXEAASA-N 2 0 302.418 2.641 20 0 DFADRP C[C@H](Cc1ccccc1)[NH+]1CCC(N[C@H]2CCC[NH2+]CC2)CC1 ZINC000643522977 430613345 /nfs/dbraw/zinc/61/33/45/430613345.db2.gz RBOSNZDEGOCNQD-MJGOQNOKSA-N 2 0 315.505 2.814 20 0 DFADRP C[C@@H]1[C@@H]([NH2+][C@H]2CC23CC[NH2+]CC3)CCCN1Cc1ccccc1 ZINC000643536448 430613861 /nfs/dbraw/zinc/61/38/61/430613861.db2.gz QYNCZRAAJPDMFE-NEWSRXKRSA-N 2 0 313.489 2.771 20 0 DFADRP Cn1cc([C@H]([NH2+]C[C@H]2CCC[C@@H]([NH3+])C2)c2cccc(F)c2)cn1 ZINC000643541144 430614018 /nfs/dbraw/zinc/61/40/18/430614018.db2.gz PKJKJPLTSDEYFV-MORSLUCNSA-N 2 0 316.424 2.756 20 0 DFADRP Cc1n[nH]cc1[C@@H](C)[NH2+]C[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC000643541221 430614197 /nfs/dbraw/zinc/61/41/97/430614197.db2.gz UZYITUPFVABQGH-ISTRZQFTSA-N 2 0 316.424 2.901 20 0 DFADRP CC(=O)Nc1ccc([C@@H](C)[NH2+][C@H]2CC[NH2+]C3(CCC3)C2)cc1 ZINC000643548880 430615791 /nfs/dbraw/zinc/61/57/91/430615791.db2.gz WTDOBQCGVCTTPJ-DYVFJYSZSA-N 2 0 301.434 2.970 20 0 DFADRP C[N@@H+]1CCCC[C@@H](C[NH2+]C[C@H]2CCN(c3ccccc3)C2)C1 ZINC000639345912 430616719 /nfs/dbraw/zinc/61/67/19/430616719.db2.gz CLJPEEFZJXYGJD-ZWKOTPCHSA-N 2 0 301.478 2.834 20 0 DFADRP CO[C@H](C[NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C)C1CC1 ZINC000639359402 430619869 /nfs/dbraw/zinc/61/98/69/430619869.db2.gz MGFABKKLWUWVGO-ATZDWAIDSA-N 2 0 302.462 2.769 20 0 DFADRP C[C@H]([NH2+][C@@H]1CCC[C@@H]1N1CC[C@@H](O)C1)[C@@H]1C[C@H]1c1cccs1 ZINC000639370365 430623139 /nfs/dbraw/zinc/62/31/39/430623139.db2.gz CKZIQSGAHBKNSL-OIBBZDHESA-N 2 0 320.502 2.817 20 0 DFADRP C[C@H](CCc1ccccc1)[NH2+][C@@H]1CCC[C@@H]1N1CC[C@H](O)C1 ZINC000639373694 430624576 /nfs/dbraw/zinc/62/45/76/430624576.db2.gz SYDOXNCUOLHFGV-LULLPPNCSA-N 2 0 302.462 2.585 20 0 DFADRP c1csc(CC2CC[NH+](Cc3cnc4n3CCC4)CC2)n1 ZINC000639374287 430624806 /nfs/dbraw/zinc/62/48/06/430624806.db2.gz FPJHKPXNSXWVQG-UHFFFAOYSA-N 2 0 302.447 2.741 20 0 DFADRP CSc1ccc(C[NH2+][C@@H]2CCC[C@@H]2N2CC[C@@H](O)C2)s1 ZINC000639374395 430625207 /nfs/dbraw/zinc/62/52/07/430625207.db2.gz YVZDPTQFYUHRRM-BNOWGMLFSA-N 2 0 312.504 2.547 20 0 DFADRP CC(C)(O)C[NH+]1CCC([NH2+]Cc2ccc3cccnc3c2)CC1 ZINC000639382519 430627279 /nfs/dbraw/zinc/62/72/79/430627279.db2.gz ZLKAPWKHWLBAGA-UHFFFAOYSA-N 2 0 313.445 2.560 20 0 DFADRP CCC1([NH+](C)C)CCN(Cc2ccnn2-c2cc[nH+]cc2)CC1 ZINC000639378443 430627791 /nfs/dbraw/zinc/62/77/91/430627791.db2.gz QLRCPIXVKHSLQB-UHFFFAOYSA-N 2 0 313.449 2.574 20 0 DFADRP C[C@H](CC(=O)Nc1ccccc1)[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000319385458 533690559 /nfs/dbraw/zinc/69/05/59/533690559.db2.gz KJETXUPSDCGFDR-HYVNUMGLSA-N 2 0 301.434 2.620 20 0 DFADRP CC[NH+]1CCC(NC(=O)C[N@@H+]2CC[C@H](C(C)(C)C)C[C@@H]2C)CC1 ZINC000554310930 430632884 /nfs/dbraw/zinc/63/28/84/430632884.db2.gz UPRIWKPFNPLSHP-HOTGVXAUSA-N 2 0 323.525 2.734 20 0 DFADRP CC(C)(C)[NH+]1CCC([NH2+]C[C@@H]2CCCO[C@H]2c2cc[nH]n2)CC1 ZINC000643821955 430633673 /nfs/dbraw/zinc/63/36/73/430633673.db2.gz IBZFQCLNBRUFIU-WMLDXEAASA-N 2 0 320.481 2.730 20 0 DFADRP Cc1ccc(CC[NH+]2CCC(CC[NH+]3CCOCC3)CC2)cc1 ZINC000571563639 430637304 /nfs/dbraw/zinc/63/73/04/430637304.db2.gz XGTGTHYIUPPLSN-UHFFFAOYSA-N 2 0 316.489 2.972 20 0 DFADRP [NH3+][C@H]1CCC[C@H]([NH2+]Cc2cc(Cl)ccc2N2CCOCC2)C1 ZINC000571581187 430637998 /nfs/dbraw/zinc/63/79/98/430637998.db2.gz JYRGGPCEDNWWDB-HOTGVXAUSA-N 2 0 323.868 2.536 20 0 DFADRP CCOCc1cc(C[NH+]2CCC(CC[NH3+])CC2)ccc1OC ZINC000571567779 430638537 /nfs/dbraw/zinc/63/85/37/430638537.db2.gz CJSIAGFZAJBWCM-UHFFFAOYSA-N 2 0 306.450 2.793 20 0 DFADRP O=c1cc(C[NH+]2CCC(C[NH+]3CCCCCC3)CC2)cc[nH]1 ZINC000639451146 430642692 /nfs/dbraw/zinc/64/26/92/430642692.db2.gz KWSLXCAOZXPXHD-UHFFFAOYSA-N 2 0 303.450 2.875 20 0 DFADRP CC(C)[NH+]1CCN(CCC[NH+]2CCc3ccccc3CC2)CC1 ZINC000554545194 430642957 /nfs/dbraw/zinc/64/29/57/430642957.db2.gz LNCFJIXNZJWNOK-UHFFFAOYSA-N 2 0 315.505 2.503 20 0 DFADRP C[C@@H]([NH2+]CCc1cc(Cl)c2c(c1)OCCO2)[C@@H]1CCC[NH2+]C1 ZINC000571669468 430644091 /nfs/dbraw/zinc/64/40/91/430644091.db2.gz NMKZPKHXZJQDBF-TZMCWYRMSA-N 2 0 324.852 2.631 20 0 DFADRP COc1cc(C)c(C[C@@H](C)[NH2+]CCN2CC[C@H](C)C2)cc1OC ZINC000554558710 430644314 /nfs/dbraw/zinc/64/43/14/430644314.db2.gz MBHBVICZEJQNMU-GOEBONIOSA-N 2 0 320.477 2.875 20 0 DFADRP C[C@H]([NH2+]CCc1cc(Cl)c2c(c1)OCCO2)[C@@H]1CCC[NH2+]C1 ZINC000571669465 430644358 /nfs/dbraw/zinc/64/43/58/430644358.db2.gz NMKZPKHXZJQDBF-GXTWGEPZSA-N 2 0 324.852 2.631 20 0 DFADRP C[N@H+](Cc1ccc2c(c1)C[NH2+]CC2)[C@H](CCO)c1ccccc1 ZINC000571691237 430645939 /nfs/dbraw/zinc/64/59/39/430645939.db2.gz PGUVMXIMPLGYPC-HXUWFJFHSA-N 2 0 310.441 2.888 20 0 DFADRP COc1ccc(C[NH2+]C[C@H]2CC[N@@H+](C(C)C)C2)c(C)c1OC ZINC000554713538 430649477 /nfs/dbraw/zinc/64/94/77/430649477.db2.gz FMTDWXSHELBPFL-OAHLLOKOSA-N 2 0 306.450 2.832 20 0 DFADRP COc1ccc(C[NH2+]C[C@@H]2CC[N@@H+](C(C)C)C2)c(C)c1OC ZINC000554713537 430649553 /nfs/dbraw/zinc/64/95/53/430649553.db2.gz FMTDWXSHELBPFL-HNNXBMFYSA-N 2 0 306.450 2.832 20 0 DFADRP CC[C@H]([NH2+]C1CCC(c2nc(C)no2)CC1)[C@H]1CCCC[NH2+]1 ZINC000572026879 430667795 /nfs/dbraw/zinc/66/77/95/430667795.db2.gz IHSLEBMGWKKOHG-SSHXOBKSSA-N 2 0 306.454 2.915 20 0 DFADRP CC1(C)C[NH2+]CC[C@H]1[NH2+]Cc1ccc(Oc2cnccn2)cc1 ZINC000572009652 430667915 /nfs/dbraw/zinc/66/79/15/430667915.db2.gz QXKKKPMNWACYGU-MRXNPFEDSA-N 2 0 312.417 2.747 20 0 DFADRP c1cnc(CC[NH+]2CCC(CCC[NH+]3CCCC3)CC2)cn1 ZINC000639545845 430668331 /nfs/dbraw/zinc/66/83/31/430668331.db2.gz CEZXDNJLXFYIJS-UHFFFAOYSA-N 2 0 302.466 2.607 20 0 DFADRP CC(C)[NH+]1CCN(CCC[NH2+]C2C3CC4CC(C3)CC2C4)CC1 ZINC000555591856 430670500 /nfs/dbraw/zinc/67/05/00/430670500.db2.gz DDHKESOSDOIPKE-UHFFFAOYSA-N 2 0 319.537 2.817 20 0 DFADRP COc1nc2ccccc2cc1C[NH2+][C@@H]1CCc2nc[nH]c2C1 ZINC000572170717 430674429 /nfs/dbraw/zinc/67/44/29/430674429.db2.gz FKDNIBYOELDCDG-CQSZACIVSA-N 2 0 308.385 2.614 20 0 DFADRP C[C@@H]([NH2+]CCNc1ncc(Cl)cc1Cl)[C@H]1CCC[NH2+]C1 ZINC000572234308 430677465 /nfs/dbraw/zinc/67/74/65/430677465.db2.gz RCNLGRSWCHFOAJ-MNOVXSKESA-N 2 0 317.264 2.778 20 0 DFADRP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1cc[nH]c(=O)c1 ZINC000639589035 430677946 /nfs/dbraw/zinc/67/79/46/430677946.db2.gz IKYWQAYSAAJNFV-YJBOKZPZSA-N 2 0 311.429 2.787 20 0 DFADRP C[C@H]1OCC[C@@H]1C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000639589045 430678043 /nfs/dbraw/zinc/67/80/43/430678043.db2.gz IRSLIDMAAVUSTD-RWQQGDIJSA-N 2 0 302.462 2.912 20 0 DFADRP Cc1ncsc1CN(C)C[C@@H]1CC[N@@H+](C[C@H]2CCO[C@@H]2C)C1 ZINC000639614794 430681795 /nfs/dbraw/zinc/68/17/95/430681795.db2.gz HCHIBZLHZZWUHZ-OWCLPIDISA-N 2 0 323.506 2.630 20 0 DFADRP C[C@H](NC(=O)C[NH+]1CCC(C)CC1)[C@@H](c1ccccc1)[NH+](C)C ZINC000186484194 278235378 /nfs/dbraw/zinc/23/53/78/278235378.db2.gz IDKZOVDIVKCBEO-LPHOPBHVSA-N 2 0 317.477 2.526 20 0 DFADRP C[C@H](NC1CC[NH+](C2CC2)CC1)[C@H](c1ccccc1)[NH+](C)C ZINC000297814368 278253907 /nfs/dbraw/zinc/25/39/07/278253907.db2.gz YIVIUPMTSUTFGS-HNAYVOBHSA-N 2 0 301.478 2.894 20 0 DFADRP c1ccc(C[NH+]2CCC(Nc3cc(NC4CC4)ncn3)CC2)nc1 ZINC000556842778 430693951 /nfs/dbraw/zinc/69/39/51/430693951.db2.gz ZGHYVAOAHNTSLV-UHFFFAOYSA-N 2 0 324.432 2.522 20 0 DFADRP [NH3+]CCN(c1ccc2ccccc2n1)C1CC[NH+](CC2CC2)CC1 ZINC000556894458 430695972 /nfs/dbraw/zinc/69/59/72/430695972.db2.gz HCKHWEHNHJFHPV-UHFFFAOYSA-N 2 0 324.472 2.874 20 0 DFADRP C[NH+](C)CCCCC(=O)NC[C@H](c1ccco1)[NH+]1CCCCC1 ZINC000556946607 430696560 /nfs/dbraw/zinc/69/65/60/430696560.db2.gz JRLMOYPPHPDVQT-MRXNPFEDSA-N 2 0 321.465 2.655 20 0 DFADRP C[NH+](C)CCCCC(=O)NC[C@@H](c1ccco1)[NH+]1CCCCC1 ZINC000556946605 430696603 /nfs/dbraw/zinc/69/66/03/430696603.db2.gz JRLMOYPPHPDVQT-INIZCTEOSA-N 2 0 321.465 2.655 20 0 DFADRP C[C@@H]([NH2+]CCCC[N@@H+]1CCC[C@H]1CO)c1cc(F)cc(F)c1 ZINC000268863408 278343585 /nfs/dbraw/zinc/34/35/85/278343585.db2.gz FBVKUIJGKWZVQN-DYVFJYSZSA-N 2 0 312.404 2.852 20 0 DFADRP C[C@H]1CC[C@H](C)[N@H+](CC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC000158756430 278381070 /nfs/dbraw/zinc/38/10/70/278381070.db2.gz RTAYCSFJPGMDCC-BQFCYCMXSA-N 2 0 317.477 2.526 20 0 DFADRP Cc1cc(C[NH3+])cc(NC(=O)N2CCC[N@@H+](C(C)(C)C)CC2)c1 ZINC000572992614 430699243 /nfs/dbraw/zinc/69/92/43/430699243.db2.gz VKKMDPYCCXYPPK-UHFFFAOYSA-N 2 0 318.465 2.792 20 0 DFADRP OC(C[NH2+]C1CC[NH+](C2CCCCC2)CC1)(C1CC1)C1CC1 ZINC000657699444 430709648 /nfs/dbraw/zinc/70/96/48/430709648.db2.gz IRRDNFJFZRUDBM-UHFFFAOYSA-N 2 0 306.494 2.924 20 0 DFADRP CC(C)Cc1ccc([C@H](CNC(=O)[C@H](C)[NH+](C)C)[NH+](C)C)cc1 ZINC000644323727 430720119 /nfs/dbraw/zinc/72/01/19/430720119.db2.gz QFLIGILSOIMYFT-YJBOKZPZSA-N 2 0 319.493 2.554 20 0 DFADRP CC(C)(C)c1cnc(CNC2CC[NH+]([C@H]3CCOC3)CC2)s1 ZINC000657752863 430725149 /nfs/dbraw/zinc/72/51/49/430725149.db2.gz SXGNCFAWHQMXSG-AWEZNQCLSA-N 2 0 323.506 2.784 20 0 DFADRP c1ccc(C[N@H+]2C[C@@H](C[NH2+][C@@H]3CCOC3)C3(CCC3)C2)cc1 ZINC000657773380 430732104 /nfs/dbraw/zinc/73/21/04/430732104.db2.gz RDABJMFOUUBHTD-QZTJIDSGSA-N 2 0 300.446 2.667 20 0 DFADRP CC(C)[NH+]1CCC([NH2+]C[C@@H](O)Cc2cccc(Cl)c2)CC1 ZINC000644513482 430739114 /nfs/dbraw/zinc/73/91/14/430739114.db2.gz PXZLLLLLEDBTDX-KRWDZBQOSA-N 2 0 310.869 2.706 20 0 DFADRP c1cc2c(cc1C[NH2+]CC1CC[NH+](CC3CC3)CC1)OCCO2 ZINC000657811483 430740786 /nfs/dbraw/zinc/74/07/86/430740786.db2.gz DCUWHKBDJJQIQN-UHFFFAOYSA-N 2 0 316.445 2.669 20 0 DFADRP CC(=O)Nc1ccccc1C[NH2+]CC1CC[NH+](CC2CC2)CC1 ZINC000657812874 430744759 /nfs/dbraw/zinc/74/47/59/430744759.db2.gz JGAMBSMUQPXCRL-UHFFFAOYSA-N 2 0 315.461 2.857 20 0 DFADRP OCC1(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]3CCC[C@@H]32)CC1 ZINC000651241624 430747486 /nfs/dbraw/zinc/74/74/86/430747486.db2.gz XCDWFQNZQDLFOA-GUDVDZBRSA-N 2 0 314.473 2.792 20 0 DFADRP C[C@H]([NH2+]CCCC[NH+]1CCN(C)CC1)c1cc2cnccc2o1 ZINC000657836558 430750390 /nfs/dbraw/zinc/75/03/90/430750390.db2.gz TVWIKBYONDLQLI-HNNXBMFYSA-N 2 0 316.449 2.506 20 0 DFADRP COCCN1CCC([NH2+][C@@H](C)c2cc3cnccc3o2)CC1 ZINC000657850816 430753521 /nfs/dbraw/zinc/75/35/21/430753521.db2.gz XONZLRHEXYJCTH-ZDUSSCGKSA-N 2 0 303.406 2.589 20 0 DFADRP Cn1ncc2c1CC(C)(C)CN(CC[C@@H]1CCCC[N@@H+]1C)C2 ZINC000664871567 430769368 /nfs/dbraw/zinc/76/93/68/430769368.db2.gz BOPVGTPJOXHZJD-INIZCTEOSA-N 2 0 304.482 2.679 20 0 DFADRP C[C@H]([NH2+]C1CC[NH+]([C@H]2CCC[C@@H]2O)CC1)C(C)(C)C(F)F ZINC000657925978 430769354 /nfs/dbraw/zinc/76/93/54/430769354.db2.gz QJEWDHFMJFURKG-UBHSHLNASA-N 2 0 304.425 2.634 20 0 DFADRP C[C@@H]([NH2+][C@@H](C)CCN1CC[NH+](C)CC1)c1cc2cnccc2o1 ZINC000657976993 430778450 /nfs/dbraw/zinc/77/84/50/430778450.db2.gz VEKQUNRLIDICQT-LSDHHAIUSA-N 2 0 316.449 2.504 20 0 DFADRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+][C@H](C)c1cc2cnccc2o1 ZINC000657976992 430778894 /nfs/dbraw/zinc/77/88/94/430778894.db2.gz VEKQUNRLIDICQT-HUUCEWRRSA-N 2 0 316.449 2.504 20 0 DFADRP C[NH+]1CCN(C(C)(C)C[NH2+][C@H]2CCCc3ccccc3C2)CC1 ZINC000648416084 430779199 /nfs/dbraw/zinc/77/91/99/430779199.db2.gz NTDKGTPTVLTEIZ-IBGZPJMESA-N 2 0 315.505 2.550 20 0 DFADRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+][C@@H]1CCCc2ccccc2C1 ZINC000648526165 430814210 /nfs/dbraw/zinc/81/42/10/430814210.db2.gz WESDUHKOSAHIOM-YLJYHZDGSA-N 2 0 315.505 2.550 20 0 DFADRP C[C@@H](CN(C)CCC[NH+](C)C)[NH2+][C@@H](C)c1ccncc1Cl ZINC000658108760 430814746 /nfs/dbraw/zinc/81/47/46/430814746.db2.gz RXHPTUHIBGPPGE-KBPBESRZSA-N 2 0 312.889 2.658 20 0 DFADRP C[C@@H](CN(C)CCC[NH+](C)C)[NH2+][C@H]1CCCc2ccccc21 ZINC000658109733 430814845 /nfs/dbraw/zinc/81/48/45/430814845.db2.gz VQWUCKPINFSTLN-LPHOPBHVSA-N 2 0 303.494 2.926 20 0 DFADRP O[C@@H]1CC[N@H+](Cc2ccc(C[NH2+][C@H]3CC[C@H]3C3CCC3)cc2)C1 ZINC000658134339 430821758 /nfs/dbraw/zinc/82/17/58/430821758.db2.gz AKJPYQBCHXMBSA-AABGKKOBSA-N 2 0 314.473 2.922 20 0 DFADRP O[C@@H]1CC[N@H+](Cc2ccc(C[NH2+][C@H]3CCC[C@H]4C[C@H]43)cc2)C1 ZINC000658137151 430822326 /nfs/dbraw/zinc/82/23/26/430822326.db2.gz JBPZBOJLFPTPRG-MANSERQUSA-N 2 0 300.446 2.531 20 0 DFADRP C[C@H]([NH2+]Cc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1)C1CCCC1 ZINC000658139890 430822471 /nfs/dbraw/zinc/82/24/71/430822471.db2.gz NOCGHPKSMMSGQE-KXBFYZLASA-N 2 0 302.462 2.922 20 0 DFADRP C[C@H](CC1CCC1)[NH2+]Cc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1 ZINC000658141280 430822883 /nfs/dbraw/zinc/82/28/83/430822883.db2.gz SMBSHPWQXPMMCP-BEFAXECRSA-N 2 0 302.462 2.922 20 0 DFADRP C[C@H](Cc1ccoc1)[NH2+]Cc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1 ZINC000658139292 430823010 /nfs/dbraw/zinc/82/30/10/430823010.db2.gz QMCCFDTWXAFWQY-DNVCBOLYSA-N 2 0 314.429 2.567 20 0 DFADRP O[C@H]1CC[N@H+](Cc2ccc(C[NH2+]C3Cc4ccccc4C3)cc2)C1 ZINC000658147375 430825737 /nfs/dbraw/zinc/82/57/37/430825737.db2.gz ZOZHDLDGNWAOPY-NRFANRHFSA-N 2 0 322.452 2.510 20 0 DFADRP Cc1cccc(CN(C)[C@H]2CC[N@@H+](C3CCN(C)CC3)C2)c1F ZINC000648586038 430830322 /nfs/dbraw/zinc/83/03/22/430830322.db2.gz YQBJCUWSHHYOIB-SFHVURJKSA-N 2 0 319.468 2.734 20 0 DFADRP COC[C@@H]([NH2+][C@H](C)C1CC[NH+](C)CC1)c1cccc(OC)c1 ZINC000658162677 430831709 /nfs/dbraw/zinc/83/17/09/430831709.db2.gz FIZBRWPZYBMHPX-RDTXWAMCSA-N 2 0 306.450 2.703 20 0 DFADRP C[C@@H]([NH2+][C@H]1CCN(C2CC[NH+](C)CC2)C1)[C@H]1CCCC[C@H]1C ZINC000648450655 430791273 /nfs/dbraw/zinc/79/12/73/430791273.db2.gz ZMABPLRHGFSSPP-VXNCWWDNSA-N 2 0 307.526 2.959 20 0 DFADRP COC1([C@@H](C)[NH2+]C[C@@H]2C[N@H+](C)C[C@H]2c2ccccc2)CCC1 ZINC000658042324 430791610 /nfs/dbraw/zinc/79/16/10/430791610.db2.gz UKLYKMMQWGXWAN-NXHRZFHOSA-N 2 0 302.462 2.879 20 0 DFADRP Cc1cc2ncc([C@@H](C)[NH2+]C[C@@H]3CCN3C(C)(C)C)c(C)n2n1 ZINC000658053442 430792682 /nfs/dbraw/zinc/79/26/82/430792682.db2.gz AWZFVEORAZAZBQ-HIFRSBDPSA-N 2 0 315.465 2.870 20 0 DFADRP C[C@H]([NH2+]C[C@H]1CCN1C(C)(C)C)c1cccc(-n2ccnn2)c1 ZINC000658060868 430795855 /nfs/dbraw/zinc/79/58/55/430795855.db2.gz NMMBZJLAPAKJIL-WMLDXEAASA-N 2 0 313.449 2.791 20 0 DFADRP CC[C@]1(C)CCC[C@@H]1[NH2+]Cc1ccnc(N2CC[NH+](C)CC2)c1 ZINC000651678886 430848144 /nfs/dbraw/zinc/84/81/44/430848144.db2.gz HMHKHNYHDYSGBQ-PKOBYXMFSA-N 2 0 316.493 2.892 20 0 DFADRP C[C@H]([NH2+][C@H]1C[C@@H](O)C12CCC2)c1cccc(OCC[NH+](C)C)c1 ZINC000658254449 430852564 /nfs/dbraw/zinc/85/25/64/430852564.db2.gz NSKGVFAALCNBQF-JCGIZDLHSA-N 2 0 318.461 2.581 20 0 DFADRP CCc1cccc(C[NH2+][C@@H]2CCN(C3CC[NH+](C)CC3)C2)c1 ZINC000651708884 430855186 /nfs/dbraw/zinc/85/51/86/430855186.db2.gz DPDCTAWMGFDUSM-GOSISDBHSA-N 2 0 301.478 2.507 20 0 DFADRP Cn1ncc(C2CCC2)c1C[NH2+][C@H]1CC[N@H+](C)[C@H]2CCC[C@H]21 ZINC000658266234 430857128 /nfs/dbraw/zinc/85/71/28/430857128.db2.gz GMSYVRJHVSRYRK-XIRDDKMYSA-N 2 0 302.466 2.650 20 0 DFADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]C[C@H](OC1CCCC1)C(F)(F)F ZINC000665237614 430863457 /nfs/dbraw/zinc/86/34/57/430863457.db2.gz FNZGATWEIDKGTJ-UBHSHLNASA-N 2 0 308.388 2.984 20 0 DFADRP C[C@@H]1[C@@H](O)CCC[N@@H+]1Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000648723992 430870020 /nfs/dbraw/zinc/87/00/20/430870020.db2.gz LCYMPBNDISHDFH-APWZRJJASA-N 2 0 318.461 2.506 20 0 DFADRP CC(C)[NH+]1CCC(N[C@@H]2C[NH2+]CC[C@@H]2c2cccc(F)c2)CC1 ZINC000665253545 430870507 /nfs/dbraw/zinc/87/05/07/430870507.db2.gz VDQNHZFCVWCYPE-RTBURBONSA-N 2 0 319.468 2.734 20 0 DFADRP C[C@H](COc1c(F)cccc1F)[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000665261808 430874127 /nfs/dbraw/zinc/87/41/27/430874127.db2.gz LWOGXKIFJRHMIM-YIYPIFLZSA-N 2 0 310.388 2.710 20 0 DFADRP COc1ccc(-c2cc(C[NH2+][C@@H]3CCC[C@H]3C[NH3+])on2)cc1 ZINC000665261469 430875188 /nfs/dbraw/zinc/87/51/88/430875188.db2.gz CURAXCFBLRXJTP-XJKSGUPXSA-N 2 0 301.390 2.567 20 0 DFADRP FC1(F)CC12CCC([NH2+][C@@H]1CCOC[C@@H]1[C@H]1CCC[NH2+]1)CC2 ZINC000665273802 430878583 /nfs/dbraw/zinc/87/85/83/430878583.db2.gz DMNLOEDFDHMTFE-ZHGALXRWSA-N 2 0 314.420 2.701 20 0 DFADRP [NH3+][C@@H]1CCC[C@@H]1NC[C@H]1C[N@H+](Cc2ccccc2)CC12CCC2 ZINC000665277239 430878693 /nfs/dbraw/zinc/87/86/93/430878693.db2.gz XERGCUJGLPMFGV-OTWHNJEPSA-N 3 0 313.489 2.758 20 0 DFADRP Cn1cc(C[C@@H]2CCC[C@@H]2[NH2+][C@@H]2C[C@@H]([NH3+])c3ccccc32)cn1 ZINC000665273177 430879077 /nfs/dbraw/zinc/87/90/77/430879077.db2.gz QZBFTFWPAPBWSU-KLIQENQMSA-N 2 0 310.445 2.866 20 0 DFADRP CCC[N@@H+]1CC[C@H](N[C@H](c2ccc(OC)cc2)[C@@H]2CCC[NH2+]2)C1 ZINC000665273910 430879580 /nfs/dbraw/zinc/87/95/80/430879580.db2.gz GNCYBXRQXVMJIZ-YTQUADARSA-N 2 0 317.477 2.562 20 0 DFADRP C[C@@H]1[C@H](C(=O)Nc2ccc(CC[NH+]3CCCC3)cc2)CC[N@@H+]1C ZINC000648748716 430879994 /nfs/dbraw/zinc/87/99/94/430879994.db2.gz VFJJCCKZYIZYGM-CRAIPNDOSA-N 2 0 315.461 2.604 20 0 DFADRP CC(C)[C@H]([NH3+])CC[NH2+][C@@H](C)c1cnn(Cc2ccccc2)c1 ZINC000665281177 430880199 /nfs/dbraw/zinc/88/01/99/430880199.db2.gz WMULLGVJABEPDF-MAUKXSAKSA-N 2 0 300.450 2.955 20 0 DFADRP Brc1cccc2c1C[C@H]([NH2+]CC13CC(C1)C[NH2+]3)CC2 ZINC000665279735 430880266 /nfs/dbraw/zinc/88/02/66/430880266.db2.gz KQHRHLBXQYKHCT-RYCVTPFZSA-N 2 0 321.262 2.648 20 0 DFADRP CC[C@@H](Cc1ccc(Br)cc1)[NH2+][C@@H](C)C1C[NH2+]C1 ZINC000665283049 430883155 /nfs/dbraw/zinc/88/31/55/430883155.db2.gz GNBJGKIQKQHIBL-NHYWBVRUSA-N 2 0 311.267 2.968 20 0 DFADRP COC[C@@H](CC1CCOCC1)[NH2+]CC1CC[NH+](CC2CC2)CC1 ZINC000658353316 430883403 /nfs/dbraw/zinc/88/34/03/430883403.db2.gz LQMVCNPXLYTDKJ-LJQANCHMSA-N 2 0 324.509 2.530 20 0 DFADRP CCCN1Cc2cccc(NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)c2C1 ZINC000648764998 430885270 /nfs/dbraw/zinc/88/52/70/430885270.db2.gz MOXRHTDARMTORF-UKRRQHHQSA-N 2 0 301.434 2.691 20 0 DFADRP C[NH2+]CCCC(=O)N1CCC([NH2+][C@H]2CCC[C@H](C(C)C)C2)CC1 ZINC000665289201 430885731 /nfs/dbraw/zinc/88/57/31/430885731.db2.gz IWQBRVYNFQFFJY-WMZOPIPTSA-N 2 0 323.525 2.781 20 0 DFADRP C[NH2+]CCCC(=O)N1CCC([NH2+][C@H](CCC(C)C)C2CC2)CC1 ZINC000665289432 430885845 /nfs/dbraw/zinc/88/58/45/430885845.db2.gz NWSZVUOZGGIBEZ-GOSISDBHSA-N 2 0 323.525 2.781 20 0 DFADRP [NH3+]C1CCC([NH2+][C@@H]2CCCC[C@H]2NC(=O)c2ccccc2)CC1 ZINC000665289591 430887403 /nfs/dbraw/zinc/88/74/03/430887403.db2.gz RZDYOVVIZIWYDW-OPQOLIRYSA-N 2 0 315.461 2.587 20 0 DFADRP CCC[C@H]1CCC[C@@H]1[NH2+]C1CCN(C(=O)CCC[NH2+]C)CC1 ZINC000665289265 430887779 /nfs/dbraw/zinc/88/77/79/430887779.db2.gz JWELTXGIRIPWCU-RDJZCZTQSA-N 2 0 309.498 2.535 20 0 DFADRP COc1ccc(-c2cc(CN[C@H]3CC[N@H+](C)[C@@H](C)C3)on2)cc1 ZINC000658188269 430837722 /nfs/dbraw/zinc/83/77/22/430837722.db2.gz PSTRJINQDIGENX-ZFWWWQNUSA-N 2 0 315.417 2.923 20 0 DFADRP COc1cc(OC)c(C[NH2+]C2CCC([NH+](C)C)CC2)cc1F ZINC000651833579 430892663 /nfs/dbraw/zinc/89/26/63/430892663.db2.gz HJLZANNYEPTTGL-UHFFFAOYSA-N 2 0 310.413 2.805 20 0 DFADRP C[NH+](C)CCOc1ccc(C[N@@H+]2CC[C@@H](O)CC(C)(C)C2)cc1 ZINC000648794062 430894475 /nfs/dbraw/zinc/89/44/75/430894475.db2.gz LLKMOWMUTYMZJE-QGZVFWFLSA-N 2 0 320.477 2.610 20 0 DFADRP CO[C@@H]([C@@H](C)[NH2+]Cc1ccc(OCC[NH+](C)C)cc1)C1CC1 ZINC000648797001 430896206 /nfs/dbraw/zinc/89/62/06/430896206.db2.gz CGVKBEOINOESOW-KDOFPFPSSA-N 2 0 306.450 2.530 20 0 DFADRP CC(C)C[N@H+](C)CCC[NH2+]Cc1cccc(-n2cccn2)c1 ZINC000651865854 430896980 /nfs/dbraw/zinc/89/69/80/430896980.db2.gz JVBJPYYQJUMOGR-UHFFFAOYSA-N 2 0 300.450 2.940 20 0 DFADRP CC[N@H+](Cc1ccc(OCC[NH+](C)C)cc1)[C@@H]1CCCOC1 ZINC000651948346 430922824 /nfs/dbraw/zinc/92/28/24/430922824.db2.gz JNVTXHJKOHWCTO-QGZVFWFLSA-N 2 0 306.450 2.628 20 0 DFADRP C[C@@H]1C[NH+](CC2CC[NH+](C[C@@H]3CCSC3)CC2)C[C@@H](C)O1 ZINC000365869930 278744456 /nfs/dbraw/zinc/74/44/56/278744456.db2.gz DDJIADLQMYUFAX-INMHGKMJSA-N 2 0 312.523 2.561 20 0 DFADRP C[NH+](C)CC1(C(=O)N[C@H]2CCC[N@@H+]3CCCC[C@@H]23)CCCCC1 ZINC000655351182 430974020 /nfs/dbraw/zinc/97/40/20/430974020.db2.gz PGRHTBQBMJBMQJ-IRXDYDNUSA-N 2 0 321.509 2.632 20 0 DFADRP CC[C@H](c1ccc(F)cc1F)N1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000662152506 430979278 /nfs/dbraw/zinc/97/92/78/430979278.db2.gz GQUTXIHYGGUQOT-MAUKXSAKSA-N 2 0 324.415 2.947 20 0 DFADRP CC[C@@H](c1ccc(F)cc1)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000662153826 430980096 /nfs/dbraw/zinc/98/00/96/430980096.db2.gz CVFHPZDMVUFYFY-MSOLQXFVSA-N 2 0 306.425 2.808 20 0 DFADRP C[C@@H](CN1CCC([N@@H+]2CC[C@@H](O)C2)CC1)c1cccc(Cl)c1 ZINC000662151256 430980920 /nfs/dbraw/zinc/98/09/20/430980920.db2.gz HBXBQQUQBIAEIB-KBXCAEBGSA-N 2 0 322.880 2.975 20 0 DFADRP CC[N@H+](CCCN[C@H](C)c1ccc(=O)[nH]n1)C1CCCCC1 ZINC000652238047 430999098 /nfs/dbraw/zinc/99/90/98/430999098.db2.gz QLVVYYVWDWIHLX-CQSZACIVSA-N 2 0 306.454 2.878 20 0 DFADRP CC1(C)C[NH2+][C@H]1C(=O)Nc1cccc(C[NH+]2CCCCC2)c1 ZINC000645464819 431008422 /nfs/dbraw/zinc/00/84/22/431008422.db2.gz DGYXTERWTOQYGK-INIZCTEOSA-N 2 0 301.434 2.609 20 0 DFADRP CCCN(C(=O)CC[NH+](C)C1CCCCC1)[C@@H]1CC[N@H+](C)C1 ZINC000648997154 430963350 /nfs/dbraw/zinc/96/33/50/430963350.db2.gz KATUJCPKDPLDJU-QGZVFWFLSA-N 2 0 309.498 2.584 20 0 DFADRP Cc1cccc([C@@H]2CCC[N@@H+]2C[C@@H]2CCC3(C[NH2+]C3)O2)c1C ZINC000662256233 431020521 /nfs/dbraw/zinc/02/05/21/431020521.db2.gz JOJUBPZCXDXKNX-WMZOPIPTSA-N 2 0 300.446 2.961 20 0 DFADRP CC[C@@H]1CN2CCCC[C@H]2C[N@@H+]1Cc1cccc2c1CC[NH2+]C2 ZINC000662266175 431021120 /nfs/dbraw/zinc/02/11/20/431021120.db2.gz YSQCWHMPZRUSES-MOPGFXCFSA-N 2 0 313.489 2.781 20 0 DFADRP C[NH+](CCCC[N@@H+](C)CC1=CCSC1)CC1=CCSC1 ZINC000662262892 431021342 /nfs/dbraw/zinc/02/13/42/431021342.db2.gz FBAXBTFRZDGUEO-UHFFFAOYSA-N 2 0 312.548 2.977 20 0 DFADRP [NH3+][C@@H]1CCC[C@@H]2CN(Cc3cc(F)ccc3OC(F)F)C[C@@H]21 ZINC000662264530 431021541 /nfs/dbraw/zinc/02/15/41/431021541.db2.gz DQQMJUBIRGAZDP-DDTOSNHZSA-N 2 0 314.351 2.986 20 0 DFADRP c1ccc(NC[C@@H]2CC[N@H+](Cc3cccc4c3CC[NH2+]C4)C2)nc1 ZINC000662266141 431022680 /nfs/dbraw/zinc/02/26/80/431022680.db2.gz XYIXHEBKCHDPBE-INIZCTEOSA-N 2 0 322.456 2.661 20 0 DFADRP c1cc2c(cc1CN1CC[NH+](C3CCCCC3)CC1)C[NH2+]CC2 ZINC000652341206 431025766 /nfs/dbraw/zinc/02/57/66/431025766.db2.gz QBLUPDFYEVHOAE-UHFFFAOYSA-N 2 0 313.489 2.783 20 0 DFADRP [NH3+]C[C@]12CCC[C@H]1C[N@H+](CCOc1ccc(Cl)c(F)c1)C2 ZINC000652352587 431027110 /nfs/dbraw/zinc/02/71/10/431027110.db2.gz BSJOVNGXTWRQFC-LRDDRELGSA-N 2 0 312.816 2.919 20 0 DFADRP [NH3+]C[C@]12CCC[C@H]1CN(Cc1ccn(-c3cccc(F)c3)n1)C2 ZINC000652351990 431027158 /nfs/dbraw/zinc/02/71/58/431027158.db2.gz RMKWYUPJZSNJEI-KSSFIOAISA-N 2 0 314.408 2.572 20 0 DFADRP COc1cccc([C@H](C)[N@@H+]2CCC[C@H]([C@H]3C[C@H]([NH3+])CCO3)C2)c1 ZINC000652348587 431028251 /nfs/dbraw/zinc/02/82/51/431028251.db2.gz JBBXCATUBOVQDF-ITQYTPKQSA-N 2 0 318.461 2.975 20 0 DFADRP [NH3+][C@@H]1CCO[C@H]1C1CC[NH+](CC[C@@H]2CCc3ccccc32)CC1 ZINC000662272708 431028725 /nfs/dbraw/zinc/02/87/25/431028725.db2.gz GZLCWBLUVGQHLX-DBVUQKKJSA-N 2 0 314.473 2.935 20 0 DFADRP COc1cccc2c1CC[N@H+](Cc1cccc3c1CC[NH2+]C3)C2 ZINC000662278275 431029389 /nfs/dbraw/zinc/02/93/89/431029389.db2.gz DOGJGQGANVZGRK-UHFFFAOYSA-N 2 0 308.425 2.899 20 0 DFADRP c1ccc([C@@H]2CC[C@@H](C[N@@H+]3CC[C@@H](N4CC[NH2+]CC4)C3)C2)cc1 ZINC000662277634 431030562 /nfs/dbraw/zinc/03/05/62/431030562.db2.gz RAEYHOFLWFZDPK-MISYRCLQSA-N 2 0 313.489 2.550 20 0 DFADRP C[C@@H]1CCC[N@H+](CCOCCOc2ccccc2)[C@H]1CC[NH3+] ZINC000652354437 431030856 /nfs/dbraw/zinc/03/08/56/431030856.db2.gz YRDDRJKXJVQBLN-AEFFLSMTSA-N 2 0 306.450 2.531 20 0 DFADRP Cc1ccc(CC[N@@H+]2CCCC[C@@H]2[C@@H]2C[C@@H]([NH3+])CCO2)cc1 ZINC000652362862 431032870 /nfs/dbraw/zinc/03/28/70/431032870.db2.gz RKCBCEAYKUTCAX-OTWHNJEPSA-N 2 0 302.462 2.898 20 0 DFADRP c1cc(C[N@@H+]2CCC[C@H]2[C@H]2CCCOC2)c2c(c1)C[NH2+]CC2 ZINC000662284632 431032866 /nfs/dbraw/zinc/03/28/66/431032866.db2.gz YNPPJHRJBXXPGJ-HKUYNNGSSA-N 2 0 300.446 2.723 20 0 DFADRP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCC[N@@H+]2CCCCC2CCOCC2)C1 ZINC000652363538 431032982 /nfs/dbraw/zinc/03/29/82/431032982.db2.gz HEWXYDHXTYJBSZ-QYZOEREBSA-N 2 0 324.509 2.944 20 0 DFADRP C[C@H]1CC2(C[N@@H+]1Cc1csc(N(C)C3CC3)n1)CC[NH2+]CC2 ZINC000662283370 431033128 /nfs/dbraw/zinc/03/31/28/431033128.db2.gz MWXAVJIDIXRMHI-ZDUSSCGKSA-N 2 0 320.506 2.706 20 0 DFADRP CC[C@H](CC(F)F)C[NH+]1CCC([C@@H]2C[C@@H]([NH3+])CCO2)CC1 ZINC000662280276 431033185 /nfs/dbraw/zinc/03/31/85/431033185.db2.gz CCGNZTFLMYKZOE-SNPRPXQTSA-N 2 0 304.425 2.886 20 0 DFADRP FC(F)(F)[C@H]1CC[N@H+](C[C@H]2CCC3(C[NH2+]C3)O2)CC12CCC2 ZINC000662280827 431033626 /nfs/dbraw/zinc/03/36/26/431033626.db2.gz GCHXACWCUHRCHL-OLZOCXBDSA-N 2 0 318.383 2.562 20 0 DFADRP CC(C)N(C(=O)[C@@H](C)[NH+]1CCC([C@H]2CCC[NH2+]C2)CC1)C(C)C ZINC000662291098 431035099 /nfs/dbraw/zinc/03/50/99/431035099.db2.gz PFCMPMQCQUTCCK-AEFFLSMTSA-N 2 0 323.525 2.732 20 0 DFADRP CC(C)c1noc([C@H](C)[N@@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)n1 ZINC000662295904 431038844 /nfs/dbraw/zinc/03/88/44/431038844.db2.gz IQWYIGPLHSVWEF-DZGCQCFKSA-N 2 0 306.454 2.966 20 0 DFADRP Cc1ccc2nc(C[N@@H+]3CCC[C@H](C4CC[NH2+]CC4)C3)cn2c1 ZINC000662295561 431039189 /nfs/dbraw/zinc/03/91/89/431039189.db2.gz VEWJONXAYMXJSO-KRWDZBQOSA-N 2 0 312.461 2.854 20 0 DFADRP CN(CCc1ccccc1)[C@@H]1CC[N@H+](CC[C@@H]2CCC[NH2+]C2)C1 ZINC000662307564 431042659 /nfs/dbraw/zinc/04/26/59/431042659.db2.gz XKUXCELMKDIIIV-VQTJNVASSA-N 2 0 315.505 2.625 20 0 DFADRP c1ccc(O[C@@H]2CC[N@@H+](Cc3ccc4c(c3)C[NH2+]CC4)C2)cc1 ZINC000662315218 431043804 /nfs/dbraw/zinc/04/38/04/431043804.db2.gz CRHBLRHVLXUAQS-HXUWFJFHSA-N 2 0 308.425 2.986 20 0 DFADRP C[C@@H]1CCC[N@H+](Cc2ccc3c(c2)C[NH2+]CC3)[C@@H]1CCC[NH3+] ZINC000662313954 431044301 /nfs/dbraw/zinc/04/43/01/431044301.db2.gz AJDPUTKEFNLFMI-DNVCBOLYSA-N 3 0 301.478 2.672 20 0 DFADRP C[N@H+](C[C@H](O)[C@@H]([NH3+])Cc1ccccc1)C[C@H]1CCc2ccccc21 ZINC000662320987 431045566 /nfs/dbraw/zinc/04/55/66/431045566.db2.gz GDDJGOOXRWVESV-GIVPXCGWSA-N 2 0 324.468 2.579 20 0 DFADRP CCc1ccccc1CC[N@@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000662322285 431046647 /nfs/dbraw/zinc/04/66/47/431046647.db2.gz GSDIZAGMIYTXBD-LJQANCHMSA-N 2 0 304.478 2.834 20 0 DFADRP C[NH+](C)CCC[C@@H]1C[N@H+](CC2CCC(F)(F)CC2)CCO1 ZINC000662325762 431047909 /nfs/dbraw/zinc/04/79/09/431047909.db2.gz JMVILIGVLRRJRC-OAHLLOKOSA-N 2 0 304.425 2.855 20 0 DFADRP COCC[C@@H](c1ccccc1)[N@@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000662326422 431048647 /nfs/dbraw/zinc/04/86/47/431048647.db2.gz ZGIWECFOZXPWGY-OALUTQOASA-N 2 0 320.477 2.807 20 0 DFADRP C[NH+](C)CCC[C@H]1C[N@H+](CCc2ccc(Cl)cc2)CCO1 ZINC000662326355 431048853 /nfs/dbraw/zinc/04/88/53/431048853.db2.gz SCPGSMVLQCCKQT-KRWDZBQOSA-N 2 0 310.869 2.925 20 0 DFADRP COCC[C@H](c1ccccc1)[N@@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000662326423 431049006 /nfs/dbraw/zinc/04/90/06/431049006.db2.gz ZGIWECFOZXPWGY-RBUKOAKNSA-N 2 0 320.477 2.807 20 0 DFADRP CC[C@H]([NH2+]C)C(=O)NCc1ccccc1C[N@@H+]1CCCC[C@@H]1C ZINC000662387117 431070138 /nfs/dbraw/zinc/07/01/38/431070138.db2.gz BMSBYCHXMWTHIU-YJBOKZPZSA-N 2 0 317.477 2.675 20 0 DFADRP C[C@H]1CCCC[N@@H+]1CCCNC(=O)[C@@H]([NH3+])c1cccc(Cl)c1 ZINC000649280907 431056133 /nfs/dbraw/zinc/05/61/33/431056133.db2.gz UBCPNODBSYBIHL-BBRMVZONSA-N 2 0 323.868 2.721 20 0 DFADRP C[N@H+](CCN1CCC[C@H]1[C@H]1CCC[NH+]1C)Cc1ccccc1 ZINC000649296960 431060794 /nfs/dbraw/zinc/06/07/94/431060794.db2.gz VIHGIIDKFIERQZ-MOPGFXCFSA-N 2 0 301.478 2.677 20 0 DFADRP CC(C)[N@H+](C)Cc1cccc(CNC(=O)[C@H]2CCC[C@@H]2C[NH3+])c1 ZINC000649306648 431063617 /nfs/dbraw/zinc/06/36/17/431063617.db2.gz FORJAQQDUYEFIF-MSOLQXFVSA-N 2 0 317.477 2.518 20 0 DFADRP CC[C@@H]([NH2+]C)C(=O)NCc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000662386460 431068218 /nfs/dbraw/zinc/06/82/18/431068218.db2.gz AJMSONACXSZWDM-CRAIPNDOSA-N 2 0 317.477 2.533 20 0 DFADRP CC[NH+](CC)[C@H](CNC(=O)[C@@H]1[NH2+]CCC1(C)C)c1ccccc1 ZINC000662391646 431068391 /nfs/dbraw/zinc/06/83/91/431068391.db2.gz DSXFRYDRIZMRJS-SJORKVTESA-N 2 0 317.477 2.574 20 0 DFADRP C[N@@H+](Cc1csc2ccccc12)C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662248953 431013540 /nfs/dbraw/zinc/01/35/40/431013540.db2.gz MKWFJZKWZUPOSD-AWEZNQCLSA-N 2 0 302.443 2.854 20 0 DFADRP CCC[N@H+](C[C@H]1CCC2(C[NH2+]C2)O1)[C@H]1CCc2ccccc2C1 ZINC000662255113 431015328 /nfs/dbraw/zinc/01/53/28/431015328.db2.gz WPIHGTXSUADCFR-RBUKOAKNSA-N 2 0 314.473 2.777 20 0 DFADRP C[C@H](O)C[N@H+](Cc1ccccc1)Cc1cccc2c1CC[NH2+]C2 ZINC000662251162 431015361 /nfs/dbraw/zinc/01/53/61/431015361.db2.gz AGJWYIWVOCKEES-INIZCTEOSA-N 2 0 310.441 2.715 20 0 DFADRP CCC[N@H+](C[C@H]1CCC2(C[NH2+]C2)O1)[C@@H]1CCc2ccccc2C1 ZINC000662255114 431016109 /nfs/dbraw/zinc/01/61/09/431016109.db2.gz WPIHGTXSUADCFR-RTBURBONSA-N 2 0 314.473 2.777 20 0 DFADRP Fc1ccc([C@H]([NH2+]C[C@@H]2CCC3(C[NH2+]C3)O2)C2CCC2)cc1 ZINC000662259491 431018159 /nfs/dbraw/zinc/01/81/59/431018159.db2.gz YFZBWILPGNUAGH-DLBZAZTESA-N 2 0 304.409 2.778 20 0 DFADRP CC[NH2+]Cc1ccccc1NC(=O)C[C@H]1[NH2+]Cc2ccccc21 ZINC000659302297 431018470 /nfs/dbraw/zinc/01/84/70/431018470.db2.gz DNTPNMRDECIJDQ-GOSISDBHSA-N 2 0 309.413 2.969 20 0 DFADRP CCN(CCC[NH+](CC)CC)C(=O)C[C@H]1[NH2+]Cc2ccccc21 ZINC000662535840 431108815 /nfs/dbraw/zinc/10/88/15/431108815.db2.gz UVVFSUYQLSCSBA-GOSISDBHSA-N 2 0 317.477 2.801 20 0 DFADRP CC(C)[C@@H]([NH3+])CC(=O)NCC(C)(C)[NH2+][C@@H](C)c1ccccc1 ZINC000645927561 431115683 /nfs/dbraw/zinc/11/56/83/431115683.db2.gz SPUGYNZRLKEVSB-HOCLYGCPSA-N 2 0 305.466 2.605 20 0 DFADRP CC(C)[NH2+]CC(=O)NC[C@@H](c1ccccc1)[NH+]1CCC(C)CC1 ZINC000662401384 431070801 /nfs/dbraw/zinc/07/08/01/431070801.db2.gz SZYVYSVXDBGSTN-SFHVURJKSA-N 2 0 317.477 2.574 20 0 DFADRP [NH3+]Cc1cccc(NC(=O)c2ccc3c(c2)[C@@H](C[NH3+])CCC3)c1 ZINC000662393897 431070992 /nfs/dbraw/zinc/07/09/92/431070992.db2.gz YZXWGYUYEBDVTH-MRXNPFEDSA-N 2 0 309.413 2.776 20 0 DFADRP CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)[C@H]([NH3+])c1cccc(Cl)c1 ZINC000649341790 431072427 /nfs/dbraw/zinc/07/24/27/431072427.db2.gz XCWORPCQYWKOMW-HZPDHXFCSA-N 2 0 323.868 2.673 20 0 DFADRP CC(C)c1ccc([C@H]([NH3+])CNC(=O)C2([NH3+])CC3(CCC3)C2)cc1 ZINC000662410499 431074440 /nfs/dbraw/zinc/07/44/40/431074440.db2.gz LMONBDDIDQSCTO-MRXNPFEDSA-N 2 0 315.461 2.588 20 0 DFADRP [NH3+][C@@H]1CCCCCC[C@H]1C(=O)N1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662592364 431125272 /nfs/dbraw/zinc/12/52/72/431125272.db2.gz FRMLHSSLIBANOW-KZNAEPCWSA-N 2 0 321.509 2.522 20 0 DFADRP CC(C)(C)[N@@H+]1CC[C@@H](CNC(=O)CC[C@H]([NH3+])c2ccccc2)C1 ZINC000662589354 431125278 /nfs/dbraw/zinc/12/52/78/431125278.db2.gz BMZUILMLKLTFSM-RDJZCZTQSA-N 2 0 317.477 2.703 20 0 DFADRP CC(C)C[N@H+](C)CCCNC(=O)c1sccc1C[NH+](C)C ZINC000652522269 431079139 /nfs/dbraw/zinc/07/91/39/431079139.db2.gz ATBOOGGWHMWHIK-UHFFFAOYSA-N 2 0 311.495 2.517 20 0 DFADRP CCC[NH+](CCC)CCCNC(=O)c1cc2c(s1)CC[NH2+]C2 ZINC000662442709 431080832 /nfs/dbraw/zinc/08/08/32/431080832.db2.gz RKGULWLREVOXCQ-UHFFFAOYSA-N 2 0 323.506 2.636 20 0 DFADRP Cc1cc2c(c(C)c1)[C@@H]([NH2+]CC(C)(C)N1CC[NH+](C)CC1)CC2 ZINC000655687249 431083565 /nfs/dbraw/zinc/08/35/65/431083565.db2.gz WGOKEIJWYSDZTB-SFHVURJKSA-N 2 0 315.505 2.906 20 0 DFADRP C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)C[C@@H]1[NH2+]Cc2ccccc21 ZINC000662450612 431085384 /nfs/dbraw/zinc/08/53/84/431085384.db2.gz UBQPXBPCWUJGNL-DAYGRLMNSA-N 2 0 315.461 2.600 20 0 DFADRP CCC[C@](C)([NH3+])C(=O)N1CCc2c1cccc2C[NH+]1CCCC1 ZINC000361709958 278965590 /nfs/dbraw/zinc/96/55/90/278965590.db2.gz AMLIUTNBKVRTKJ-IBGZPJMESA-N 2 0 315.461 2.689 20 0 DFADRP C[C@H](CNC(=O)c1cccc2c1C[NH2+]C2)[N@H+](C)Cc1ccccc1 ZINC000662453639 431086141 /nfs/dbraw/zinc/08/61/41/431086141.db2.gz ARIFYOIAVDITRZ-OAHLLOKOSA-N 2 0 323.440 2.540 20 0 DFADRP Cc1cc2c(c(C)c1)[C@@H]([NH2+]C[C@@H](C)CN1CC[NH+](C)CC1)CC2 ZINC000655708341 431091898 /nfs/dbraw/zinc/09/18/98/431091898.db2.gz HNYCDMTYNJQUMD-APWZRJJASA-N 2 0 315.505 2.764 20 0 DFADRP C[C@@H]1C[C@@H](N(C)C[C@@H]2CC[NH2+]C2)CC[N@@H+]1Cc1ccccc1 ZINC000649413521 431093058 /nfs/dbraw/zinc/09/30/58/431093058.db2.gz CIBAFYHYFJLNCP-QRQLOZEOSA-N 2 0 301.478 2.581 20 0 DFADRP CCc1nccn1[C@@H]1CCC[N@H+](CCCC2CC[NH2+]CC2)C1 ZINC000649413434 431094507 /nfs/dbraw/zinc/09/45/07/431094507.db2.gz ZPILZAXOPDJGMA-QGZVFWFLSA-N 2 0 304.482 2.862 20 0 DFADRP CC(C)C[C@H](C[NH3+])CC(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000662487226 431096033 /nfs/dbraw/zinc/09/60/33/431096033.db2.gz IBSKRYGIDICORI-INIZCTEOSA-N 2 0 323.525 2.911 20 0 DFADRP c1cn2c(n1)[C@H]([NH2+]CC1CCN(c3cc[nH+]cc3)CC1)CCC2 ZINC000655724301 431100878 /nfs/dbraw/zinc/10/08/78/431100878.db2.gz UASCFBDSEUXBNO-QGZVFWFLSA-N 2 0 311.433 2.619 20 0 DFADRP C[C@@H]1C[N@@H+](CCCC[NH2+][C@@H]2CC[C@@H](C)SC2)C[C@H](C)O1 ZINC000655729141 431103566 /nfs/dbraw/zinc/10/35/66/431103566.db2.gz GQQVRQYPRCYLFF-QKPAOTATSA-N 2 0 300.512 2.750 20 0 DFADRP CC[NH+](CC)CCC[C@@H](C)NC(=O)C[C@H]1[NH2+]Cc2ccccc21 ZINC000662523653 431104864 /nfs/dbraw/zinc/10/48/64/431104864.db2.gz QHZVCSCAIVPWRI-CRAIPNDOSA-N 2 0 317.477 2.848 20 0 DFADRP CC[NH+](CC)CCC[C@H](C)NC(=O)C[C@@H]1[NH2+]Cc2ccccc21 ZINC000662523656 431105403 /nfs/dbraw/zinc/10/54/03/431105403.db2.gz QHZVCSCAIVPWRI-YJBOKZPZSA-N 2 0 317.477 2.848 20 0 DFADRP CN(Cc1cccnc1)C[C@H]1CC[N@H+](CCC[C@@H]2CCOC2)C1 ZINC000645895056 431105652 /nfs/dbraw/zinc/10/56/52/431105652.db2.gz URYPBTCPXLAZNK-IEBWSBKVSA-N 2 0 317.477 2.652 20 0 DFADRP CN(Cc1cccnc1)C[C@@H]1CC[N@H+](CCC[C@@H]2CCOC2)C1 ZINC000645895057 431105859 /nfs/dbraw/zinc/10/58/59/431105859.db2.gz URYPBTCPXLAZNK-MJGOQNOKSA-N 2 0 317.477 2.652 20 0 DFADRP CC[N@H+](C)[C@@H](C(=O)N[C@@H](C)C[NH+](C)C(C)C)c1ccccc1 ZINC000356833570 279043198 /nfs/dbraw/zinc/04/31/98/279043198.db2.gz YGQBJNDKXCDXJA-DOTOQJQBSA-N 2 0 305.466 2.524 20 0 DFADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1NC[C@H](c1ccco1)[NH+]1CCCC1 ZINC000249298955 288103719 /nfs/dbraw/zinc/10/37/19/288103719.db2.gz FSBUCLVCWARCHR-WCXIOVBPSA-N 2 0 305.466 2.735 20 0 DFADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1NC[C@H]1CC[NH+](C)[C@@H]1c1ccccc1 ZINC000371517493 288104774 /nfs/dbraw/zinc/10/47/74/288104774.db2.gz FDRGTELHYOWOPG-CVYSASLGSA-N 2 0 315.505 2.998 20 0 DFADRP CC[NH+](CC)Cc1cccc(C[NH2+][C@H]2CC[N@H+](C)C[C@@H]2C)c1 ZINC000163552250 279138139 /nfs/dbraw/zinc/13/81/39/279138139.db2.gz PSWPVQLRLHCTIF-LPHOPBHVSA-N 3 0 303.494 2.958 20 0 DFADRP CC[NH+](CC)[C@H](CNC(=O)CC1CC[NH+](C)CC1)CC(C)C ZINC000362764082 279161785 /nfs/dbraw/zinc/16/17/85/279161785.db2.gz YXBLXVWDFMRTCD-KRWDZBQOSA-N 2 0 311.514 2.591 20 0 DFADRP CO[C@H](C[NH+]1CCC(C[NH+]2CCOCC2)CC1)C1CCCCC1 ZINC000659844538 431137760 /nfs/dbraw/zinc/13/77/60/431137760.db2.gz JGEKKKWHUQYOKM-LJQANCHMSA-N 2 0 324.509 2.626 20 0 DFADRP C[C@H](CC(=O)Nc1ccccc1)[NH2+]CC1CC[NH+](C2CC2)CC1 ZINC000278506276 279247523 /nfs/dbraw/zinc/24/75/23/279247523.db2.gz QZWPLFOEXIECEP-OAHLLOKOSA-N 2 0 315.461 2.868 20 0 DFADRP C[C@H](CCC[NH3+])[NH2+][C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000309894098 279256257 /nfs/dbraw/zinc/25/62/57/279256257.db2.gz FVDWITMUFAASFT-XGXHKWSGSA-N 3 0 301.478 2.614 20 0 DFADRP C[C@H](C[NH2+][C@H]1C[C@H](C)c2ccccc21)CN1CC[NH+](C)CC1 ZINC000289223018 279354422 /nfs/dbraw/zinc/35/44/22/279354422.db2.gz LKCRHXWLFZGXLT-GJYPPUQNSA-N 2 0 301.478 2.708 20 0 DFADRP CC[NH+](CC)CCCNC(=O)C1CC[NH+](CCC2CCC2)CC1 ZINC000659845753 431142006 /nfs/dbraw/zinc/14/20/06/431142006.db2.gz XWORESJQXHOLMQ-UHFFFAOYSA-N 2 0 323.525 2.737 20 0 DFADRP C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)C2([NH3+])CC3(CCC3)C2)C1 ZINC000662695971 431164071 /nfs/dbraw/zinc/16/40/71/431164071.db2.gz RNXCZRBZORDBMX-HUUCEWRRSA-N 2 0 321.509 2.521 20 0 DFADRP CC(C)[C@H]([NH3+])CC(=O)NC[C@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000646071432 431169989 /nfs/dbraw/zinc/16/99/89/431169989.db2.gz HQBHNMSNWYXUNT-CPUCHLNUSA-N 2 0 323.506 2.621 20 0 DFADRP CC[N@H+](CCC1CC[NH+](C[C@H]2CCCN2C)CC1)CC1CC1 ZINC000649573053 431170200 /nfs/dbraw/zinc/17/02/00/431170200.db2.gz RGRLJWACYJDNQK-LJQANCHMSA-N 2 0 307.526 2.915 20 0 DFADRP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1[NH2+]C[C@H]1CCCN1C ZINC000649585515 431174763 /nfs/dbraw/zinc/17/47/63/431174763.db2.gz YMLGIIJMSALUNF-ZHALLVOQSA-N 2 0 315.505 2.827 20 0 DFADRP CC(C)[C@H]([NH3+])CCNC(=O)c1oc2ccccc2c1C[NH+](C)C ZINC000662728495 431176267 /nfs/dbraw/zinc/17/62/67/431176267.db2.gz SLXZRRMMFIKMLN-OAHLLOKOSA-N 2 0 317.433 2.598 20 0 DFADRP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1[NH2+]C[C@@H]1CCCN1C ZINC000649585514 431177186 /nfs/dbraw/zinc/17/71/86/431177186.db2.gz YMLGIIJMSALUNF-LMMKCTJWSA-N 2 0 315.505 2.827 20 0 DFADRP CCC(CC)(CNC(=O)CC1([NH3+])CC1)[NH2+][C@H](C)c1ccccc1 ZINC000662731035 431178783 /nfs/dbraw/zinc/17/87/83/431178783.db2.gz WPRWPSMAJQAIAO-OAHLLOKOSA-N 2 0 317.477 2.894 20 0 DFADRP Cc1cc[nH+]c(NC[C@H]2CC[N@H+](Cc3cc(C)nc(C)n3)C2)c1 ZINC000659906732 431183654 /nfs/dbraw/zinc/18/36/54/431183654.db2.gz OWQKAWSCVYDIPI-MRXNPFEDSA-N 2 0 311.433 2.731 20 0 DFADRP C[NH+]1CCC2(CC1)C[N@H+](Cc1cccc3cccnc31)CCO2 ZINC000646103744 431188245 /nfs/dbraw/zinc/18/82/45/431188245.db2.gz MPLFCVWCCSGKMH-UHFFFAOYSA-N 2 0 311.429 2.531 20 0 DFADRP COc1cccc([C@@H](C)[N@@H+]2CCOC3(CC[NH+](C)CC3)C2)c1 ZINC000646104860 431189396 /nfs/dbraw/zinc/18/93/96/431189396.db2.gz QXIQJACPIIYZEB-OAHLLOKOSA-N 2 0 304.434 2.553 20 0 DFADRP Cc1ccccc1OCCC[N@@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000646104611 431189911 /nfs/dbraw/zinc/18/99/11/431189911.db2.gz SHCVRHLJJDGDEX-UHFFFAOYSA-N 2 0 318.461 2.561 20 0 DFADRP C[NH+]1CCC2(CC1)C[N@H+](CC1CCC(F)(F)CC1)CCO2 ZINC000646106858 431191198 /nfs/dbraw/zinc/19/11/98/431191198.db2.gz WUZUEHPWVGPZPR-UHFFFAOYSA-N 2 0 302.409 2.609 20 0 DFADRP Cc1ccc(C[N@H+]2CC[C@@H](CN(C)C[C@H]3CCC[NH+]3C)C2)s1 ZINC000649603430 431191384 /nfs/dbraw/zinc/19/13/84/431191384.db2.gz MFQPPZYMSSJMJZ-DLBZAZTESA-N 2 0 321.534 2.904 20 0 DFADRP CC1CC[NH+](CCc2cccc(NC(=O)[C@H]3C[C@H]([NH3+])C3)c2)CC1 ZINC000662801581 431197929 /nfs/dbraw/zinc/19/79/29/431197929.db2.gz KKOUMTFJWZWTNA-QAQDUYKDSA-N 2 0 315.461 2.637 20 0 DFADRP C[C@H]1C[N@H+](Cc2ccccc2)CCCN1C[C@@H]1CCC[NH+]1C ZINC000649539144 431149002 /nfs/dbraw/zinc/14/90/02/431149002.db2.gz LCOQLXHGVWIZBF-HKUYNNGSSA-N 2 0 301.478 2.677 20 0 DFADRP COc1cccc(CN(CC(C)C)C[C@H](O)C[N@H+](C)C(C)C)c1 ZINC000659860166 431153148 /nfs/dbraw/zinc/15/31/48/431153148.db2.gz WHJVMSULOSKTDI-GOSISDBHSA-N 2 0 322.493 2.854 20 0 DFADRP CCCN(Cc1ccc(OC)cc1)C[C@@H](O)C[N@H+](C)C(C)C ZINC000659858123 431153687 /nfs/dbraw/zinc/15/36/87/431153687.db2.gz BVRDINNUCSLWEU-KRWDZBQOSA-N 2 0 308.466 2.608 20 0 DFADRP CC[NH+](CC)[C@H](CNC(=O)[C@H]1C[C@H]([NH3+])C1)c1ccccc1Cl ZINC000662662604 431154200 /nfs/dbraw/zinc/15/42/00/431154200.db2.gz IAAXALCXSHGQGZ-XJKCOSOUSA-N 2 0 323.868 2.576 20 0 DFADRP C[C@@H]1CC[N@H+](Cc2ccccc2)CCN1C[C@@H]1CCC[NH+]1C ZINC000649547681 431154850 /nfs/dbraw/zinc/15/48/50/431154850.db2.gz ZOVBPKSONBAINS-MJGOQNOKSA-N 2 0 301.478 2.677 20 0 DFADRP COc1cc2c(cc1OC)[C@H]([NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1)CC2 ZINC000655803853 431155255 /nfs/dbraw/zinc/15/52/55/431155255.db2.gz FIMSUGXTSZZHED-IVMMDQJWSA-N 2 0 304.434 2.621 20 0 DFADRP COc1cc(F)c([C@@H](C)[NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)cc1OC ZINC000655806307 431156543 /nfs/dbraw/zinc/15/65/43/431156543.db2.gz UTIPHRLGHFVDJW-UPJWGTAASA-N 2 0 310.413 2.834 20 0 DFADRP COc1ccc([C@H](C)[NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)cc1NC(C)=O ZINC000655805916 431156701 /nfs/dbraw/zinc/15/67/01/431156701.db2.gz NFKOZIDMXXVROW-DUVNUKRYSA-N 2 0 319.449 2.644 20 0 DFADRP COCC[C@@H](Cc1cccc(F)c1)[NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000655805448 431157219 /nfs/dbraw/zinc/15/72/19/431157219.db2.gz HJWXOAPDXRGLPF-RYQLBKOJSA-N 2 0 308.441 2.703 20 0 DFADRP C[C@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)CC1 ZINC000655805626 431157466 /nfs/dbraw/zinc/15/74/66/431157466.db2.gz JOULMQVMEBPIOO-DKKFBQAASA-N 3 0 307.526 2.959 20 0 DFADRP C[NH+](C)[C@H]1C[C@@H](C[NH2+][C@H](c2ccc(F)cc2)c2cnccn2)C1 ZINC000655805140 431158479 /nfs/dbraw/zinc/15/84/79/431158479.db2.gz JJXAZILNWNSXJB-RPVQJOFSSA-N 2 0 314.408 2.635 20 0 DFADRP C[C@H]1CN(Cc2ccccc2)CC[C@@H]1[NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000655805575 431158612 /nfs/dbraw/zinc/15/86/12/431158612.db2.gz JESCUEJUCNWIDU-FFGOWVMKSA-N 2 0 315.505 2.827 20 0 DFADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)C2([NH3+])CC3(CCC3)C2)C1 ZINC000662681718 431159883 /nfs/dbraw/zinc/15/98/83/431159883.db2.gz CCRBKSPUBGIYQN-IYBDPMFKSA-N 2 0 321.509 2.522 20 0 DFADRP C[NH+](C)[C@@H](CNC(=O)c1cccc2c1C[NH2+]C2)C1CCCCC1 ZINC000662679545 431160387 /nfs/dbraw/zinc/16/03/87/431160387.db2.gz QDZANUVWRXBYDQ-SFHVURJKSA-N 2 0 315.461 2.530 20 0 DFADRP C[N@H+](C[C@@H]1CCCN(C(=O)C(C)(C)C)C1)C[C@H]1CCC[NH+](C)C1 ZINC000659947261 431203879 /nfs/dbraw/zinc/20/38/79/431203879.db2.gz NHGMXLOWPNGXHS-IRXDYDNUSA-N 2 0 323.525 2.545 20 0 DFADRP Cc1ccnc(NC[C@@H]2CC[N@H+](CCc3cncs3)C2)c1 ZINC000662828403 431208238 /nfs/dbraw/zinc/20/82/38/431208238.db2.gz RYUUQRYCXUKLNM-AWEZNQCLSA-N 2 0 302.447 2.823 20 0 DFADRP C[NH2+]Cc1ccccc1NC(=O)N[C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000655907891 431214093 /nfs/dbraw/zinc/21/40/93/431214093.db2.gz PIEQXQZOWFSIAT-IRXDYDNUSA-N 2 0 316.449 2.544 20 0 DFADRP Cc1cc(C[NH3+])cc(NC(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@@H]23)c1 ZINC000655910575 431214651 /nfs/dbraw/zinc/21/46/51/431214651.db2.gz YQRHNRKBJCATPR-SJORKVTESA-N 2 0 316.449 2.592 20 0 DFADRP CO[C@H](C[NH+]1CCC(OCC[NH+]2CCCC2)CC1)C1CCCC1 ZINC000659974417 431216891 /nfs/dbraw/zinc/21/68/91/431216891.db2.gz MAPQKMXIAFJRHQ-LJQANCHMSA-N 2 0 324.509 2.768 20 0 DFADRP CCC[NH+]1CCC(N(CC[NH3+])c2ccc3ccccc3n2)CC1 ZINC000666413122 431219058 /nfs/dbraw/zinc/21/90/58/431219058.db2.gz SMDRXVFDBBUCQM-UHFFFAOYSA-N 2 0 312.461 2.874 20 0 DFADRP CN(CC[NH+]1CCCCC1)C(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000652990217 431219656 /nfs/dbraw/zinc/21/96/56/431219656.db2.gz KIEFTUYMEGDUPL-QGZVFWFLSA-N 2 0 321.509 2.585 20 0 DFADRP c1cnc2nc(C3CC[NH+](CC[C@H]4CC[NH2+]C4)CC3)ccc2c1 ZINC000655946302 431225937 /nfs/dbraw/zinc/22/59/37/431225937.db2.gz JXTHEBOREGNNEO-OAHLLOKOSA-N 2 0 310.445 2.809 20 0 DFADRP CCCN(C(=O)Nc1cccc(C[NH+](C)C)c1)[C@@H]1CC[N@H+](C)C1 ZINC000646213418 431228817 /nfs/dbraw/zinc/22/88/17/431228817.db2.gz QHNATJOFEIXPKT-QGZVFWFLSA-N 2 0 318.465 2.696 20 0 DFADRP C[C@H](C(=O)N1CCC[C@@H](C)[C@H]1CCC[NH3+])[NH+]1CCCCCC1 ZINC000662893742 431232273 /nfs/dbraw/zinc/23/22/73/431232273.db2.gz QFAORNLBXCSZKF-BRWVUGGUSA-N 2 0 309.498 2.617 20 0 DFADRP [NH3+][C@H]1CCCCCC[C@@H]1C(=O)NCC1CC[NH+](CC2CC2)CC1 ZINC000662971415 431245710 /nfs/dbraw/zinc/24/57/10/431245710.db2.gz GQRBIAGJEFLEJA-ROUUACIJSA-N 2 0 321.509 2.522 20 0 DFADRP CC(C)[C@H](C(=O)Nc1ccc(OCCC[NH+](C)C)cc1)[C@@H](C)[NH3+] ZINC000646279070 431249832 /nfs/dbraw/zinc/24/98/32/431249832.db2.gz WHAYRZCKLQXISS-PBHICJAKSA-N 2 0 321.465 2.575 20 0 DFADRP COc1cc(C[NH+]2CCC(CCC[NH+]3CCCC3)CC2)on1 ZINC000660122361 431281246 /nfs/dbraw/zinc/28/12/46/431281246.db2.gz VQKFZWGGPLYAJX-UHFFFAOYSA-N 2 0 307.438 2.771 20 0 DFADRP C[C@H]([NH3+])c1ccc(C(=O)N2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)cc1 ZINC000646379009 431287845 /nfs/dbraw/zinc/28/78/45/431287845.db2.gz MRQOOSZQXBWDQP-JCGIZDLHSA-N 2 0 315.461 2.558 20 0 DFADRP CCN1C[C@H](C[N@H+](C)C[C@H]2CC[NH2+][C@@H](C)C2)Oc2ccccc21 ZINC000666616083 431297549 /nfs/dbraw/zinc/29/75/49/431297549.db2.gz JZPYAKJXYPENNJ-ULQDDVLXSA-N 2 0 317.477 2.594 20 0 DFADRP C[C@H]1C[C@H](C[NH+]2CCC(C[NH+]3CCCCCC3)CC2)CC[NH2+]1 ZINC000666620262 431299558 /nfs/dbraw/zinc/29/95/58/431299558.db2.gz WTKKRYAOLBGYEZ-PKOBYXMFSA-N 3 0 307.526 2.963 20 0 DFADRP CCN1CC[C@H]([NH+]2CCC(CC[N@H+](CC)CC(C)C)CC2)C1=O ZINC000660170078 431300199 /nfs/dbraw/zinc/30/01/99/431300199.db2.gz DJTODOHWSHTPDG-SFHVURJKSA-N 2 0 323.525 2.687 20 0 DFADRP CCN1CC[C@@H]([NH+]2CCC(CC[N@H+](CC)CC(C)C)CC2)C1=O ZINC000660170077 431301421 /nfs/dbraw/zinc/30/14/21/431301421.db2.gz DJTODOHWSHTPDG-GOSISDBHSA-N 2 0 323.525 2.687 20 0 DFADRP [NH3+][C@@H]1CCC[C@@H]([NH2+]Cc2cccc(NC(=O)c3ccncc3)c2)C1 ZINC000656193218 431302401 /nfs/dbraw/zinc/30/24/01/431302401.db2.gz ZIOAIWAUXUNQSA-IAGOWNOFSA-N 2 0 324.428 2.693 20 0 DFADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+][C@@H]1CCCN2CCCC[C@H]12 ZINC000656201581 431304408 /nfs/dbraw/zinc/30/44/08/431304408.db2.gz SCGMUHIEGCMZNI-BMGDILEWSA-N 2 0 302.466 2.516 20 0 DFADRP CC[N@H+](CCCNC(=O)[C@@H]1CC[C@H](C2CC2)[NH2+]1)C1CCCCC1 ZINC000653200230 431306056 /nfs/dbraw/zinc/30/60/56/431306056.db2.gz ZQPNSWVSYGMMGL-MSOLQXFVSA-N 2 0 321.509 2.678 20 0 DFADRP CC(C)[C@H](CN[C@@H]1CCC[C@H]([NH3+])C1)[N@@H+]1CCc2ccccc2C1 ZINC000656198226 431306196 /nfs/dbraw/zinc/30/61/96/431306196.db2.gz YMJALGGRGORENW-ZCNNSNEGSA-N 2 0 315.505 2.929 20 0 DFADRP CC[N@H+](CCCNC(=O)CC[C@H]1CC[NH2+]C1)C1CCCCC1 ZINC000653200366 431307082 /nfs/dbraw/zinc/30/70/82/431307082.db2.gz BUODPRNAPKSFFY-INIZCTEOSA-N 2 0 309.498 2.537 20 0 DFADRP CC[N@H+](CCCNC(=O)[C@H]1CCC[NH2+][C@H]1C)C1CCCCC1 ZINC000653200762 431307340 /nfs/dbraw/zinc/30/73/40/431307340.db2.gz PBJUMCMHBWQJLH-RDJZCZTQSA-N 2 0 309.498 2.535 20 0 DFADRP C[C@@H]([NH2+]C(C)(C)CNC(=O)[C@H]1CCC[NH2+]CC1)c1ccccc1 ZINC000653117917 431270044 /nfs/dbraw/zinc/27/00/44/431270044.db2.gz ZHDVZBHLIVDAFU-WBVHZDCISA-N 2 0 317.477 2.622 20 0 DFADRP CCN(CC)C(=O)[C@H]([NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1)c1ccccc1 ZINC000656127184 431273485 /nfs/dbraw/zinc/27/34/85/431273485.db2.gz SPNFOFUVWMAULN-BPQIPLTHSA-N 2 0 317.477 2.526 20 0 DFADRP CCN(CC)C(=O)[C@@H]([NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1)c1ccccc1 ZINC000656127185 431273664 /nfs/dbraw/zinc/27/36/64/431273664.db2.gz SPNFOFUVWMAULN-JQHSSLGASA-N 2 0 317.477 2.526 20 0 DFADRP C[C@H]1CC(C)(C)C[C@@H]1[NH2+]Cc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000193122319 279635487 /nfs/dbraw/zinc/63/54/87/279635487.db2.gz IYAPGDAWQQLFKH-RDJZCZTQSA-N 2 0 316.493 2.748 20 0 DFADRP CCOCCC[N@@H+]1CC[C@H](NCc2cc(C3CC3)no2)[C@H](C)C1 ZINC000660304033 431368162 /nfs/dbraw/zinc/36/81/62/431368162.db2.gz BSACWCVVHPVIRE-PBHICJAKSA-N 2 0 321.465 2.779 20 0 DFADRP CCC[NH+](CCC)CCCC(=O)N1CCC[C@@H](C)[C@@H]1CC[NH3+] ZINC000653240985 431329225 /nfs/dbraw/zinc/32/92/25/431329225.db2.gz WFKAMUZYLHQFMX-SJORKVTESA-N 2 0 311.514 2.865 20 0 DFADRP CC[NH+](CC)Cc1ccc(C(=O)N2CCC[C@@H](C)[C@@H]2CC[NH3+])o1 ZINC000653240977 431329541 /nfs/dbraw/zinc/32/95/41/431329541.db2.gz WEILCIPUHJYBPY-ZBFHGGJFSA-N 2 0 321.465 2.711 20 0 DFADRP CC(C)([NH3+])CC(=O)Nc1ccc(SCC[NH+]2CCCC2)cc1 ZINC000653253420 431336972 /nfs/dbraw/zinc/33/69/72/431336972.db2.gz UAZSIQCKQCLLFK-UHFFFAOYSA-N 2 0 321.490 2.940 20 0 DFADRP CC(C)CNC(=O)CCC[NH2+][C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000660256001 431345877 /nfs/dbraw/zinc/34/58/77/431345877.db2.gz HNAIASHCISRPFK-IAGOWNOFSA-N 2 0 323.525 2.781 20 0 DFADRP c1cc(N2CCC([NH2+][C@H](C3CC3)[C@@H]3CCCCO3)CC2)cc[nH+]1 ZINC000656267886 431346091 /nfs/dbraw/zinc/34/60/91/431346091.db2.gz MESKBXFWFLPZHE-RBUKOAKNSA-N 2 0 315.461 2.988 20 0 DFADRP Clc1ccccc1Cn1cc(C[NH2+]CC[C@@H]2CC[NH2+]C2)cn1 ZINC000666787359 431358415 /nfs/dbraw/zinc/35/84/15/431358415.db2.gz MEFQXWCLZIXXTD-AWEZNQCLSA-N 2 0 318.852 2.674 20 0 DFADRP COc1ccc(C[NH2+][C@H]2CC23CC[NH2+]CC3)cc1OC(F)F ZINC000666950968 431419842 /nfs/dbraw/zinc/41/98/42/431419842.db2.gz UQUZQUYKGJEPHO-AWEZNQCLSA-N 2 0 312.360 2.528 20 0 DFADRP CCOc1cc(C[NH2+][C@H]2CC23CC[NH2+]CC3)cc(Cl)c1OC ZINC000666950898 431420612 /nfs/dbraw/zinc/42/06/12/431420612.db2.gz PRWOVYBVKJOIJL-HNNXBMFYSA-N 2 0 324.852 2.979 20 0 DFADRP Fc1ccc(Br)c(C[NH2+][C@H]2CC23CC[NH2+]CC3)c1 ZINC000666952535 431421854 /nfs/dbraw/zinc/42/18/54/431421854.db2.gz ZWJCTKRVENDFLU-ZDUSSCGKSA-N 2 0 313.214 2.820 20 0 DFADRP Cc1ccc(C[NH2+][C@H]2CC23CC[NH2+]CC3)cc1Br ZINC000666952419 431422465 /nfs/dbraw/zinc/42/24/65/431422465.db2.gz VVEBXUFQMARRBS-AWEZNQCLSA-N 2 0 309.251 2.989 20 0 DFADRP C[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+][C@H]2CC23CC[NH2+]CC3)CC1 ZINC000666953920 431423203 /nfs/dbraw/zinc/42/32/03/431423203.db2.gz LBSKBWVQBJHSTQ-NJAFHUGGSA-N 2 0 305.510 2.761 20 0 DFADRP Cn1cnc2cc(C[NH2+]C[C@@H]3CCC[N@H+](CC4CC4)C3)ccc21 ZINC000663345358 431374846 /nfs/dbraw/zinc/37/48/46/431374846.db2.gz IYELOVUPNNGWPH-KRWDZBQOSA-N 2 0 312.461 2.785 20 0 DFADRP C[C@@H](CC(=O)Nc1cccc(C(F)(F)F)c1)[NH2+]CCCC[NH3+] ZINC000666837671 431376932 /nfs/dbraw/zinc/37/69/32/431376932.db2.gz MHUSWFKJEVIRBA-NSHDSACASA-N 2 0 317.355 2.751 20 0 DFADRP CC(C)=CCC[N@@H+](C)C[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000660334544 431384010 /nfs/dbraw/zinc/38/40/10/431384010.db2.gz NMEXJZWEAAXXOB-IBGZPJMESA-N 2 0 302.462 2.912 20 0 DFADRP CC[NH+]1CCC(CC[NH2+]CCC(=O)N(C)c2ccccc2)CC1 ZINC000663360560 431385394 /nfs/dbraw/zinc/38/53/94/431385394.db2.gz XGOKJXOGLGXPHW-UHFFFAOYSA-N 2 0 317.477 2.751 20 0 DFADRP Cc1cccc(NC(=O)C[C@@H](C)[NH2+][C@@H]2CCC[NH2+]CC2)c1C ZINC000666857758 431385936 /nfs/dbraw/zinc/38/59/36/431385936.db2.gz HYPANMJJEHZVKX-GDBMZVCRSA-N 2 0 303.450 2.752 20 0 DFADRP CN(C(=O)CC[NH2+]CC1(C[NH+](C)C)CCCC1)c1ccccc1 ZINC000663361475 431386310 /nfs/dbraw/zinc/38/63/10/431386310.db2.gz LFALUKGOHSEAEC-UHFFFAOYSA-N 2 0 317.477 2.751 20 0 DFADRP Cc1ccc(NC(=O)C[C@H](C)[NH2+][C@@H]2CCC[NH2+]CC2)c(C)c1 ZINC000666858089 431386704 /nfs/dbraw/zinc/38/67/04/431386704.db2.gz WIUXPWFRUKZVDW-JKSUJKDBSA-N 2 0 303.450 2.752 20 0 DFADRP C[N@H+](Cc1ccccc1)CC(C)(C)CN[C@H]1CCC[NH2+]CC1 ZINC000666855434 431387115 /nfs/dbraw/zinc/38/71/15/431387115.db2.gz RHFYQXYDHXHOLI-SFHVURJKSA-N 2 0 303.494 2.876 20 0 DFADRP c1cc(COc2ccc(C[NH2+][C@@H]3CCC[NH2+]CC3)cc2)ccn1 ZINC000666855298 431387330 /nfs/dbraw/zinc/38/73/30/431387330.db2.gz LHTHOLPRLVRUKB-GOSISDBHSA-N 2 0 311.429 2.892 20 0 DFADRP C[NH+]1CCC(N2CC[C@@H]([NH2+]CCc3cccc(Cl)c3)C2)CC1 ZINC000656499056 431411492 /nfs/dbraw/zinc/41/14/92/431411492.db2.gz GPMLZMWKUZJAQX-QGZVFWFLSA-N 2 0 321.896 2.641 20 0 DFADRP CCC[N@H+](CC)Cc1ccc(C(=O)N[C@H]2CCC[NH2+]CC2)cc1 ZINC000646987164 431437416 /nfs/dbraw/zinc/43/74/16/431437416.db2.gz IGBWHAABUODAMW-SFHVURJKSA-N 2 0 317.477 2.790 20 0 DFADRP COc1cccc2c1CC[C@@H]([NH2+][C@H]1CC[NH2+]C3(CCC3)C1)C2 ZINC000666993753 431437591 /nfs/dbraw/zinc/43/75/91/431437591.db2.gz HGPQFLGTPAJTCJ-CVEARBPZSA-N 2 0 300.446 2.817 20 0 DFADRP C[C@@H]([NH2+]CC1CC[NH+](Cc2ccccc2)CC1)[C@H]1CCC[NH2+]C1 ZINC000667006266 431443217 /nfs/dbraw/zinc/44/32/17/431443217.db2.gz XJOFRYAGRCXECP-XLIONFOSSA-N 3 0 315.505 2.876 20 0 DFADRP CC[C@@H]1CN(C(=O)[C@H](c2ccccc2)[NH+](CC)CC)CC[C@@H]1[NH3+] ZINC000647012697 431446656 /nfs/dbraw/zinc/44/66/56/431446656.db2.gz YNYJAIROIXBWDD-NJAFHUGGSA-N 2 0 317.477 2.655 20 0 DFADRP C[NH2+]CCCC(=O)N1CCC([NH2+][C@H]2CCC(C)(C)C[C@H]2C)CC1 ZINC000663505855 431447910 /nfs/dbraw/zinc/44/79/10/431447910.db2.gz NXSHODAQEKDDAR-WBVHZDCISA-N 2 0 323.525 2.781 20 0 DFADRP C[NH2+]CCCC(=O)N1CCC([NH2+][C@@H](C)CCC2CCCC2)CC1 ZINC000663505082 431448574 /nfs/dbraw/zinc/44/85/74/431448574.db2.gz CXNQRCQTSQNQIE-INIZCTEOSA-N 2 0 323.525 2.926 20 0 DFADRP CC(C)(C)OCCCC[N@@H+]1CCC[C@H](N2CCOCC2)CC1 ZINC000660477373 431450615 /nfs/dbraw/zinc/45/06/15/431450615.db2.gz GZCGLENAOLQWGC-KRWDZBQOSA-N 2 0 312.498 2.768 20 0 DFADRP CC[NH+](CC)Cc1ccc(C(=O)N2[C@H](C)CN(C)[C@H](C)[C@@H]2C)o1 ZINC000650150334 431458450 /nfs/dbraw/zinc/45/84/50/431458450.db2.gz SYMZSZWNUGAIJZ-KFWWJZLASA-N 2 0 321.465 2.675 20 0 DFADRP CC[NH+](CC)Cc1ccc(-c2nc(C3([NH3+])CCCC3)no2)o1 ZINC000647137241 431471859 /nfs/dbraw/zinc/47/18/59/431471859.db2.gz FODYZQPANYRILJ-UHFFFAOYSA-N 2 0 304.394 2.899 20 0 DFADRP CO[C@H]1C[C@H]2C[C@H]([NH2+]C[C@H]3CCC[N@H+](CC4CC4)C3)C[C@H]2C1 ZINC000663463650 431428341 /nfs/dbraw/zinc/42/83/41/431428341.db2.gz AQPBKDOSYUZHBZ-GFEQUFNTSA-N 2 0 306.494 2.902 20 0 DFADRP CC(C)(C)c1n[nH]cc1C[NH+]1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000656784019 431520286 /nfs/dbraw/zinc/52/02/86/431520286.db2.gz CEAKDBXWIFXYPA-OAHLLOKOSA-N 2 0 304.482 2.919 20 0 DFADRP CCCC[C@](C)(CO)[NH2+]Cc1cn(-c2cc[nH+]cc2)nc1C ZINC000647240045 431520830 /nfs/dbraw/zinc/52/08/30/431520830.db2.gz YPNYHQRBXKWBDO-QGZVFWFLSA-N 2 0 302.422 2.607 20 0 DFADRP CCc1nn(C)c(CC)c1C[NH+]1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000656787140 431523571 /nfs/dbraw/zinc/52/35/71/431523571.db2.gz UYXAFYFBRNHUEH-INIZCTEOSA-N 2 0 318.509 2.757 20 0 DFADRP Cc1nc2ccccn2c1C[NH+]1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000656786429 431523747 /nfs/dbraw/zinc/52/37/47/431523747.db2.gz SMQHGVYVKXNSOT-QGZVFWFLSA-N 2 0 312.461 2.854 20 0 DFADRP CC(=O)Nc1ccccc1C[N@@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000656786229 431523923 /nfs/dbraw/zinc/52/39/23/431523923.db2.gz QDVHTIGHYVCACZ-QGZVFWFLSA-N 2 0 315.461 2.857 20 0 DFADRP C[C@H](CC(=O)Nc1cccc(Cl)c1)[NH2+]CC1([NH3+])CCCC1 ZINC000656789603 431526623 /nfs/dbraw/zinc/52/66/23/431526623.db2.gz SBXXTRZSRADXTM-GFCCVEGCSA-N 2 0 309.841 2.918 20 0 DFADRP C[N@@H+]1CC[C@@]2(C1)CCC[NH+](CCC(=O)Nc1ccccc1F)C2 ZINC000660655861 431532896 /nfs/dbraw/zinc/53/28/96/431532896.db2.gz QJYDEJFUFXMIRW-GOSISDBHSA-N 2 0 319.424 2.572 20 0 DFADRP CC(C)[N@H+](C)C[C@@H](O)C[NH+]1CC[C@H](c2ccccc2)[C@H](C)C1 ZINC000656699826 431485252 /nfs/dbraw/zinc/48/52/52/431485252.db2.gz WBUYKMVIFCSOQD-QRQLOZEOSA-N 2 0 304.478 2.813 20 0 DFADRP CC[C@@H](c1ccccc1OC)N(C)C[C@@H](O)C[N@H+](C)C(C)C ZINC000660559253 431491061 /nfs/dbraw/zinc/49/10/61/431491061.db2.gz VLIBUOVYKVBQCL-RDJZCZTQSA-N 2 0 308.466 2.779 20 0 DFADRP OCC1([NH2+][C@@H]2CCN(Cc3ccccc3)C3(CC3)C2)CCC1 ZINC000647193346 431505985 /nfs/dbraw/zinc/50/59/85/431505985.db2.gz VSCXEIKMLQOTLY-QGZVFWFLSA-N 2 0 300.446 2.688 20 0 DFADRP Cc1cc(CO)cc(N[C@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)n1 ZINC000663711410 431509290 /nfs/dbraw/zinc/50/92/90/431509290.db2.gz KWWBFEOJXVGONW-QAPCUYQASA-N 2 0 311.429 2.957 20 0 DFADRP Cc1ccc(-c2nn(C)cc2C[NH2+]C2CCC([NH+](C)C)CC2)o1 ZINC000647218938 431515005 /nfs/dbraw/zinc/51/50/05/431515005.db2.gz UXOHPQDGALANNL-UHFFFAOYSA-N 2 0 316.449 2.951 20 0 DFADRP CC[C@H]([NH2+]C[C@@H]1C[N@H+](C)C[C@H]1c1ccccc1)c1cnn(C)c1 ZINC000647344008 431558737 /nfs/dbraw/zinc/55/87/37/431558737.db2.gz HNNFDVALCXXIJO-NEWSRXKRSA-N 2 0 312.461 2.806 20 0 DFADRP C[C@H](c1ccccc1)[C@H](O)C[N@@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC000660661308 431536574 /nfs/dbraw/zinc/53/65/74/431536574.db2.gz CFKZDEFYOGGNJG-BHIYHBOVSA-N 2 0 302.462 2.569 20 0 DFADRP CC(C)C[C@H]([NH2+]CCCC[N@@H+]1CCC[C@H]1CO)c1ccncc1 ZINC000647288453 431539970 /nfs/dbraw/zinc/53/99/70/431539970.db2.gz DYWGLIDTXBVWNP-OALUTQOASA-N 2 0 319.493 2.995 20 0 DFADRP C[N@@H+]1CC[C@H]([NH2+][C@@H]2CCO[C@@H](c3cccnc3)C2)[C@H]2CCC[C@@H]21 ZINC000647338380 431554579 /nfs/dbraw/zinc/55/45/79/431554579.db2.gz LWYQMTUDPTYEGO-ZSXDVEMLSA-N 2 0 315.461 2.764 20 0 DFADRP CC[N@@H+]1CC[C@H]([NH2+]CCc2cn3c(cccc3C)n2)[C@@H](C)C1 ZINC000647365001 431565734 /nfs/dbraw/zinc/56/57/34/431565734.db2.gz VVORENISMLHGEZ-YOEHRIQHSA-N 2 0 300.450 2.505 20 0 DFADRP CC[C@@H](C)[N@H+](C)CCNC(=O)[C@@H](c1ccccc1)[NH+](CC)CC ZINC000355622042 280100189 /nfs/dbraw/zinc/10/01/89/280100189.db2.gz ACZYJJPAONZROD-SJLPKXTDSA-N 2 0 319.493 2.916 20 0 DFADRP CC(C)[C@H](C(=O)N1CCC[C@@H]1[C@@H]1CCC[N@@H+]1C)[NH+]1CCCCC1 ZINC000377662075 280146877 /nfs/dbraw/zinc/14/68/77/280146877.db2.gz LVFPJNBWKOZATK-RCCFBDPRSA-N 2 0 321.509 2.582 20 0 DFADRP C[C@]1(C[N@@H+]2CCC[C@H](c3nc(C(F)(F)F)c[nH]3)C2)CC[NH2+]C1 ZINC000262064539 280154641 /nfs/dbraw/zinc/15/46/41/280154641.db2.gz RMCNLROOCBRXPG-FZMZJTMJSA-N 2 0 316.371 2.608 20 0 DFADRP CC[C@@H]([NH2+]CCN1CC[N@H+](C)C(C)(C)C1)c1ccc(OC)cc1 ZINC000282509217 280187905 /nfs/dbraw/zinc/18/79/05/280187905.db2.gz YSNZDYZJJPZYDT-GOSISDBHSA-N 2 0 319.493 2.762 20 0 DFADRP OC(C[NH+](CC1CC1)C1CCC1)C[N@H+](CC1CC1)C1CCC1 ZINC000361589429 280398498 /nfs/dbraw/zinc/39/84/98/280398498.db2.gz VMEFKYIEWZSQLP-UHFFFAOYSA-N 2 0 306.494 2.876 20 0 DFADRP c1ccc([C@@H]2C[C@H]3[C@H](CCC[N@H+]3CC3CC[NH2+]CC3)O2)cc1 ZINC000650517679 431600778 /nfs/dbraw/zinc/60/07/78/431600778.db2.gz SUEGVXSATWMDOA-FHWLQOOXSA-N 2 0 300.446 2.981 20 0 DFADRP COCCOc1cccc(C[N@@H+]2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)c1 ZINC000647480696 431601099 /nfs/dbraw/zinc/60/10/99/431601099.db2.gz XLBUACWQWKSIAM-IEBWSBKVSA-N 2 0 318.461 2.676 20 0 DFADRP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCC[N@H+](Cc3ccc4c(c3)CCC4)C2)C1 ZINC000650706395 431652387 /nfs/dbraw/zinc/65/23/87/431652387.db2.gz JRRLORKYYZXBPK-AQNXPRMDSA-N 2 0 314.473 2.894 20 0 DFADRP COCc1cccc(C[N@@H+]2CCC[C@H]([C@H]3C[C@H]([NH3+])CCO3)C2)c1 ZINC000650707016 431653060 /nfs/dbraw/zinc/65/30/60/431653060.db2.gz WYNVZDMPJBHJBE-IPMKNSEASA-N 2 0 318.461 2.551 20 0 DFADRP CCc1ccc(C[N@@H+]2CCC[C@H]([C@@H]3C[C@@H]([NH3+])CCO3)C2)cc1 ZINC000650705585 431653497 /nfs/dbraw/zinc/65/34/97/431653497.db2.gz MMLWBKHQFRTXKD-FHWLQOOXSA-N 2 0 302.462 2.967 20 0 DFADRP [NH3+][C@H]1CCCO[C@H]1C1CC[NH+](Cc2cccc3c2CCC3)CC1 ZINC000650704356 431654683 /nfs/dbraw/zinc/65/46/83/431654683.db2.gz VDZQECZEQAOTRX-PMACEKPBSA-N 2 0 314.473 2.894 20 0 DFADRP COc1ccc(C2CC[NH+](C[C@@H]3CC[NH2+][C@@H](C)C3)CC2)nc1 ZINC000650704387 431654816 /nfs/dbraw/zinc/65/48/16/431654816.db2.gz WHZQIZBCQUDQLJ-LSDHHAIUSA-N 2 0 303.450 2.658 20 0 DFADRP CCOc1cc(C[N@@H+]2C[C@@H]3CCC[C@]3(C[NH3+])C2)ccc1OC ZINC000650708500 431655936 /nfs/dbraw/zinc/65/59/36/431655936.db2.gz AOISAYFHOLYQOC-YJBOKZPZSA-N 2 0 304.434 2.655 20 0 DFADRP C[C@@H]1CCC[N@H+](Cc2ccc(OCC[NH+](C)C)cc2)[C@@H]1CC[NH3+] ZINC000650711025 431657989 /nfs/dbraw/zinc/65/79/89/431657989.db2.gz GMEUWSNIUWVHON-VQIMIIECSA-N 3 0 319.493 2.576 20 0 DFADRP CCn1cc([C@@H]2OCCC[C@H]2C[NH2+]CCC[N@H+](C)C(C)C)cn1 ZINC000657302060 431658874 /nfs/dbraw/zinc/65/88/74/431658874.db2.gz SRFHQPGENLZOEW-FUHWJXTLSA-N 2 0 322.497 2.691 20 0 DFADRP C[C@@H](CC[NH2+][C@]1(C)CCO[C@@H]1C)CC[NH2+][C@@]1(C)CCO[C@H]1C ZINC000664115997 431659257 /nfs/dbraw/zinc/65/92/57/431659257.db2.gz FRSSNQFKISWOQX-IJTOGUNISA-N 2 0 312.498 2.717 20 0 DFADRP Cc1nn(Cc2ccccc2)c(C)c1C[NH2+]CCC1(C[NH3+])CC1 ZINC000650712063 431660386 /nfs/dbraw/zinc/66/03/86/431660386.db2.gz PIPHVCWLFHNDIH-UHFFFAOYSA-N 2 0 312.461 2.767 20 0 DFADRP Cc1ccc(-c2nn(C)cc2C[NH+]2CCC([C@@H](C)[NH3+])CC2)o1 ZINC000647491843 431607509 /nfs/dbraw/zinc/60/75/09/431607509.db2.gz SLCJRNUOEYURTC-CYBMUJFWSA-N 2 0 302.422 2.548 20 0 DFADRP Cc1ccc(-c2nn(C)cc2C[NH+]2CCC([C@H](C)[NH3+])CC2)o1 ZINC000647491844 431607581 /nfs/dbraw/zinc/60/75/81/431607581.db2.gz SLCJRNUOEYURTC-ZDUSSCGKSA-N 2 0 302.422 2.548 20 0 DFADRP COc1ccc2c(c1)C[C@H]([NH2+]Cc1ccc(C[NH3+])cc1F)CC2 ZINC000650717514 431660932 /nfs/dbraw/zinc/66/09/32/431660932.db2.gz CURAOGVBMOFBJT-QGZVFWFLSA-N 2 0 314.404 2.940 20 0 DFADRP C(c1nc2c(s1)CCC2)[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647542753 431621162 /nfs/dbraw/zinc/62/11/62/431621162.db2.gz BKZNNZLHYLIWPV-KBPBESRZSA-N 2 0 305.491 2.843 20 0 DFADRP COc1cc(C[N@@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)cc(OC)c1 ZINC000647544273 431623927 /nfs/dbraw/zinc/62/39/27/431623927.db2.gz YWOOGFMGRBLVND-IRXDYDNUSA-N 2 0 318.461 2.915 20 0 DFADRP COc1ccc(C[N@@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)c(OC)c1 ZINC000647543431 431625142 /nfs/dbraw/zinc/62/51/42/431625142.db2.gz NHBPVISWIHUEEV-HZPDHXFCSA-N 2 0 318.461 2.915 20 0 DFADRP COc1cc(C[N@@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)cc(OC)c1 ZINC000647544270 431625505 /nfs/dbraw/zinc/62/55/05/431625505.db2.gz YWOOGFMGRBLVND-DLBZAZTESA-N 2 0 318.461 2.915 20 0 DFADRP c1cc2c(cc1C[N@@H+]1CCC[C@@H]([C@H]3CCC[NH2+]C3)C1)OCCO2 ZINC000647543497 431625623 /nfs/dbraw/zinc/62/56/23/431625623.db2.gz OKLIQTOAZYFURT-DLBZAZTESA-N 2 0 316.445 2.669 20 0 DFADRP CCc1nn(C)c(CC)c1C[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647543799 431626354 /nfs/dbraw/zinc/62/63/54/431626354.db2.gz SFEOHLBTTFVLSD-HZPDHXFCSA-N 2 0 318.509 2.757 20 0 DFADRP CCOc1cc(C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)ccc1OC ZINC000647548866 431627473 /nfs/dbraw/zinc/62/74/73/431627473.db2.gz YQHJCAIHBHFBAL-HRCADAONSA-N 2 0 304.434 2.572 20 0 DFADRP CC[NH+]1CCN(c2ccc(N[C@@H]3C[NH2+]C[C@@H](C)C3)c(C)c2)CC1 ZINC000647547761 431627630 /nfs/dbraw/zinc/62/76/30/431627630.db2.gz CFRQWYCPQJCEIB-RDJZCZTQSA-N 2 0 316.493 2.547 20 0 DFADRP Cc1cc(C)n(-c2ccccc2C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)n1 ZINC000647548572 431628492 /nfs/dbraw/zinc/62/84/92/431628492.db2.gz IUSHCZOQVTYJIS-YTQUADARSA-N 2 0 324.472 2.967 20 0 DFADRP CC(C)CC[NH+]1CCC(C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000647550496 431628757 /nfs/dbraw/zinc/62/87/57/431628757.db2.gz UKJYYWYBZZZDJX-GUDVDZBRSA-N 3 0 307.526 2.722 20 0 DFADRP CC(C)n1ccc(C[C@H](C)[NH2+]Cc2ccc(C[NH3+])cc2F)n1 ZINC000650717754 431661322 /nfs/dbraw/zinc/66/13/22/431661322.db2.gz LMUKOPULXJNEHE-ZDUSSCGKSA-N 2 0 304.413 2.783 20 0 DFADRP C[NH+](C)CC(C)(C)C[NH2+]Cc1ccc(O[C@H]2CCOC2)cc1 ZINC000657286454 431647942 /nfs/dbraw/zinc/64/79/42/431647942.db2.gz XFCITJORZCRQDP-KRWDZBQOSA-N 2 0 306.450 2.532 20 0 DFADRP Cc1ccc(-c2nn(C)cc2C[NH+]2CCC(CC[NH3+])CC2)o1 ZINC000650722666 431664222 /nfs/dbraw/zinc/66/42/22/431664222.db2.gz YXGPBWHHTZVHPX-UHFFFAOYSA-N 2 0 302.422 2.549 20 0 DFADRP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCCN2Cc2ncc(Cl)s2)C1 ZINC000650722916 431665453 /nfs/dbraw/zinc/66/54/53/431665453.db2.gz DNYCTDGTKGKKCQ-UTUOFQBUSA-N 2 0 315.870 2.657 20 0 DFADRP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCCN2Cc2csc(C3CC3)n2)C1 ZINC000650722903 431665545 /nfs/dbraw/zinc/66/55/45/431665545.db2.gz DIPOYHOTCCMGLT-KBMXLJTQSA-N 2 0 321.490 2.881 20 0 DFADRP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCCN2Cc2ncc(Cl)s2)C1 ZINC000650722915 431665575 /nfs/dbraw/zinc/66/55/75/431665575.db2.gz DNYCTDGTKGKKCQ-IJLUTSLNSA-N 2 0 315.870 2.657 20 0 DFADRP C[C@@H]1C[C@@H](C)C[NH+](CCCC[NH2+]Cc2cnc3n2CCC3)C1 ZINC000657313866 431669990 /nfs/dbraw/zinc/66/99/90/431669990.db2.gz WLQQJASKBBZSGL-HZPDHXFCSA-N 2 0 304.482 2.677 20 0 DFADRP CCCn1nccc1C[NH2+]Cc1cccc(OCC[NH+](C)C)c1 ZINC000657315407 431671771 /nfs/dbraw/zinc/67/17/71/431671771.db2.gz MKVKYSRHJAMAOI-UHFFFAOYSA-N 2 0 316.449 2.523 20 0 DFADRP CCC[N@@H+]1CC[C@@H](C[NH2+]Cc2ccc(O[C@H](C)COC)cc2)C1 ZINC000657325654 431676694 /nfs/dbraw/zinc/67/66/94/431676694.db2.gz PDTVYHRWMFUWBP-AEFFLSMTSA-N 2 0 320.477 2.922 20 0 DFADRP COc1ccc([C@@H](C)[C@H](C)[NH2+]CCC2(C[NH3+])CC2)cc1OC ZINC000650747368 431677553 /nfs/dbraw/zinc/67/75/53/431677553.db2.gz YMVNRFIUWJRWPI-KBPBESRZSA-N 2 0 306.450 2.914 20 0 DFADRP Cn1ccc([C@@H]([NH2+]CCC2(C[NH3+])CC2)c2ccc(Cl)cc2)n1 ZINC000650747391 431677964 /nfs/dbraw/zinc/67/79/64/431677964.db2.gz ZHNBTWKBJPFPDF-INIZCTEOSA-N 2 0 318.852 2.882 20 0 DFADRP [NH3+]Cc1ccc(C[NH2+][C@@H]2CCCC[C@H]2[C@H]2CCOC2)c(F)c1 ZINC000650755010 431681593 /nfs/dbraw/zinc/68/15/93/431681593.db2.gz WVBSTAJNVQLTEK-XYJFISCASA-N 2 0 306.425 2.969 20 0 DFADRP C[C@H](COCC1CC1)[NH2+][C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000650760825 431681886 /nfs/dbraw/zinc/68/18/86/431681886.db2.gz NBXAFXZIWLUUNT-LJHODMEESA-N 2 0 316.445 2.647 20 0 DFADRP C[NH2+]Cc1ccccc1C[NH2+]C1CCC(c2nc(C)no2)CC1 ZINC000650757235 431682454 /nfs/dbraw/zinc/68/24/54/431682454.db2.gz RYGDWUKNCRPGNG-UHFFFAOYSA-N 2 0 314.433 2.913 20 0 DFADRP C[C@H](COCC1CC1)[NH2+][C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000650760824 431682562 /nfs/dbraw/zinc/68/25/62/431682562.db2.gz NBXAFXZIWLUUNT-DKSSEZFCSA-N 2 0 316.445 2.647 20 0 DFADRP CCN(CCC[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)c1ccccc1 ZINC000647788066 431684146 /nfs/dbraw/zinc/68/41/46/431684146.db2.gz BVJGSDLMGCCPNM-FGTMMUONSA-N 2 0 301.478 2.881 20 0 DFADRP Cc1c(Br)cncc1C[NH2+]C[C@H](C)Cn1ccnc1 ZINC000657334039 431684067 /nfs/dbraw/zinc/68/40/67/431684067.db2.gz JQGQXPSUNZDURX-NSHDSACASA-N 2 0 323.238 2.775 20 0 DFADRP CC[N@@H+]1CCC[C@@H](C[NH2+]Cc2ccc(O[C@H]3CCOC3)cc2)C1 ZINC000657337370 431684260 /nfs/dbraw/zinc/68/42/60/431684260.db2.gz SFIULJGGZPJSAC-HKUYNNGSSA-N 2 0 318.461 2.676 20 0 DFADRP Cc1cccc(NC(=O)C[C@@H](C)[NH2+]CCC2CC[NH2+]CC2)c1 ZINC000650764005 431684541 /nfs/dbraw/zinc/68/45/41/431684541.db2.gz ODDRNVCNLDZXJZ-OAHLLOKOSA-N 2 0 303.450 2.691 20 0 DFADRP Fc1ccc([C@@H]([NH2+]CCC2CC[NH2+]CC2)c2ncc[nH]2)cc1 ZINC000650763152 431684666 /nfs/dbraw/zinc/68/46/66/431684666.db2.gz SHRYCJXRQXUTKE-MRXNPFEDSA-N 2 0 302.397 2.618 20 0 DFADRP Cc1nn(-c2ccccc2)c(C)c1C[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000647786129 431684833 /nfs/dbraw/zinc/68/48/33/431684833.db2.gz IQHIPVUEHROIPP-RCCFBDPRSA-N 2 0 324.472 2.967 20 0 DFADRP C[C@@H](CC(=O)Nc1cccc(F)c1)[NH2+]CCC1CC[NH2+]CC1 ZINC000650763957 431685035 /nfs/dbraw/zinc/68/50/35/431685035.db2.gz MWIOJCAACPGYDI-ZDUSSCGKSA-N 2 0 307.413 2.522 20 0 DFADRP Fc1ccc2[nH]cc(CC[NH2+][C@@H]3CC[C@H]4C[NH2+]C[C@H]4C3)c2c1 ZINC000647785550 431685084 /nfs/dbraw/zinc/68/50/84/431685084.db2.gz AXEDDELJNJFJIZ-JGGQBBKZSA-N 2 0 301.409 2.827 20 0 DFADRP C[C@H]([NH2+]CCC1CC[NH2+]CC1)c1cccc(N2CCOCC2)c1 ZINC000650763643 431686326 /nfs/dbraw/zinc/68/63/26/431686326.db2.gz GHBCPEAKVZTDLQ-INIZCTEOSA-N 2 0 317.477 2.564 20 0 DFADRP FC(F)(F)c1csc(CC[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)n1 ZINC000647788733 431686738 /nfs/dbraw/zinc/68/67/38/431686738.db2.gz PNANRMQHTVTTLN-OUAUKWLOSA-N 2 0 319.396 2.682 20 0 DFADRP CCCOc1ccc(C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)cc1OC ZINC000647788648 431686814 /nfs/dbraw/zinc/68/68/14/431686814.db2.gz NSPBKCXHDDQNEY-BRWVUGGUSA-N 2 0 318.461 2.962 20 0 DFADRP CCC(CC)[C@H](C[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)[NH+]1CCCC1 ZINC000647788620 431687765 /nfs/dbraw/zinc/68/77/65/431687765.db2.gz NINXAKLVXNUSHX-HCXYKTFWSA-N 3 0 307.526 2.865 20 0 DFADRP c1cn(CCc2ccccc2)c(C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)n1 ZINC000647788711 431687826 /nfs/dbraw/zinc/68/78/26/431687826.db2.gz PDHARZNCYMYXAT-GBESFXJTSA-N 2 0 324.472 2.604 20 0 DFADRP C(Cc1nc2c(s1)CCCC2)[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000647791684 431687978 /nfs/dbraw/zinc/68/79/78/431687978.db2.gz KHIMDSIZXAWSRO-BFHYXJOUSA-N 2 0 305.491 2.542 20 0 DFADRP CC(C)Oc1ccc(CC[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC000647788894 431688074 /nfs/dbraw/zinc/68/80/74/431688074.db2.gz UXYOEBVBSHXJQM-FGTMMUONSA-N 2 0 302.462 2.994 20 0 DFADRP c1cc(C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)cc(C[NH+]2CCCC2)c1 ZINC000647788911 431688185 /nfs/dbraw/zinc/68/81/85/431688185.db2.gz VGHRDNOXFFUXQU-SLFFLAALSA-N 3 0 313.489 2.760 20 0 DFADRP CC(C)(CO)[C@H](C[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1)c1ccccc1 ZINC000647791798 431688228 /nfs/dbraw/zinc/68/82/28/431688228.db2.gz MZXNSFRXLYPGNA-NCXUSEDFSA-N 2 0 316.489 2.766 20 0 DFADRP CC(C)C(=O)Nc1ccc(C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC000647788948 431688337 /nfs/dbraw/zinc/68/83/37/431688337.db2.gz VTVQWGXGVBUCMX-SOLBZPMBSA-N 2 0 315.461 2.759 20 0 DFADRP C[C@@H]([NH2+]CCC1CC[NH2+]CC1)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000650764421 431689073 /nfs/dbraw/zinc/68/90/73/431689073.db2.gz YFJYEITWZXYBEB-CYBMUJFWSA-N 2 0 315.461 2.957 20 0 DFADRP COc1c2ccccc2oc1C[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000647795890 431689135 /nfs/dbraw/zinc/68/91/35/431689135.db2.gz YWCWJYQTEAQNQY-HZSPNIEDSA-N 2 0 300.402 2.919 20 0 DFADRP Clc1cc2c(c(C[NH2+][C@@H]3CC[C@@H]4C[NH2+]C[C@@H]4C3)c1)OCC2 ZINC000647793670 431689503 /nfs/dbraw/zinc/68/95/03/431689503.db2.gz DNYXQEZNRXFGFA-DVOMOZLQSA-N 2 0 306.837 2.753 20 0 DFADRP COc1cccc(C(C)(C)C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000647793882 431689728 /nfs/dbraw/zinc/68/97/28/431689728.db2.gz KUURDHREWOFYFZ-HLLBOEOZSA-N 2 0 302.462 2.951 20 0 DFADRP CCCCCn1cc(C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)c(C)n1 ZINC000647793665 431689765 /nfs/dbraw/zinc/68/97/65/431689765.db2.gz DDSVSOOVZPYEFQ-XYJFISCASA-N 2 0 304.482 2.859 20 0 DFADRP Cn1c(C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)nc2cccc(Cl)c21 ZINC000647795389 431689772 /nfs/dbraw/zinc/68/97/72/431689772.db2.gz PLZBJVWSNJQSOX-YNEHKIRRSA-N 2 0 318.852 2.704 20 0 DFADRP CO[C@H](c1ccc(F)cc1)[C@H](C)[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000647794105 431690035 /nfs/dbraw/zinc/69/00/35/431690035.db2.gz REPUIUJHPWGKLQ-UUWMRLDISA-N 2 0 306.425 2.879 20 0 DFADRP CC(C)COC[C@H]([NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)c1ccco1 ZINC000647793210 431690081 /nfs/dbraw/zinc/69/00/81/431690081.db2.gz PNJIGLKHVLEDKP-TWMKSMIVSA-N 2 0 306.450 2.971 20 0 DFADRP COc1cc(C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)c2ccccc2n1 ZINC000647793198 431690185 /nfs/dbraw/zinc/69/01/85/431690185.db2.gz PHKBHAKDPNJGDE-OFQRWUPVSA-N 2 0 311.429 2.721 20 0 DFADRP c1cc(OC2CCCC2)ncc1C[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000647793207 431690403 /nfs/dbraw/zinc/69/04/03/431690403.db2.gz PKCVEIQGGWKRBO-YESZJQIVSA-N 2 0 315.461 2.881 20 0 DFADRP COc1cccc([C@@H]2C[C@H]2C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000647799936 431691011 /nfs/dbraw/zinc/69/10/11/431691011.db2.gz VFBYBTLXZHFKJP-CWLGOENISA-N 2 0 300.446 2.776 20 0 DFADRP CN(C)C[C@H]([NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1)c1ccc(Cl)cc1 ZINC000647797101 431691652 /nfs/dbraw/zinc/69/16/52/431691652.db2.gz ZARVWKNQHGFDLD-IDCNUPLLSA-N 2 0 321.896 2.920 20 0 DFADRP FC(F)(F)c1cccc(CC[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)n1 ZINC000647798825 431691670 /nfs/dbraw/zinc/69/16/70/431691670.db2.gz XXTVUNTUUXIYJR-YRGRVCCFSA-N 2 0 313.367 2.621 20 0 DFADRP COCCCOc1ccc(C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000647797119 431692002 /nfs/dbraw/zinc/69/20/02/431692002.db2.gz ZIWUSTHNYVFMKL-KZNAEPCWSA-N 2 0 318.461 2.580 20 0 DFADRP Fc1ccc(OCC[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)cc1Cl ZINC000647797816 431692213 /nfs/dbraw/zinc/69/22/13/431692213.db2.gz CTKCTQBGXXFSND-RWMBFGLXSA-N 2 0 312.816 2.836 20 0 DFADRP c1ccc([C@H]2C[C@@H]2C[NH2+][C@@H]2CCOC[C@H]2[C@H]2CCC[NH2+]2)cc1 ZINC000647801171 431694621 /nfs/dbraw/zinc/69/46/21/431694621.db2.gz QESGSDPEBKQQPJ-UJWQCDCRSA-N 2 0 300.446 2.537 20 0 DFADRP CC[C@H]1C[C@H]([NH2+]Cc2ccc(OCCC[NH+](C)C)cc2)CO1 ZINC000657352670 431695101 /nfs/dbraw/zinc/69/51/01/431695101.db2.gz KNNJGDXSAUPDKJ-IRXDYDNUSA-N 2 0 306.450 2.674 20 0 DFADRP CCO[C@H]1C[C@@H]([NH2+]Cc2ccnn2-c2cc[nH+]cc2)C12CCC2 ZINC000657375066 431708316 /nfs/dbraw/zinc/70/83/16/431708316.db2.gz CJHPHFVYKRHVRQ-SJORKVTESA-N 2 0 312.417 2.705 20 0 DFADRP c1c(CNC2CC[NH+](C3CCCCC3)CC2)nnn1C1CCC1 ZINC000657382808 431713968 /nfs/dbraw/zinc/71/39/68/431713968.db2.gz DUSHSAYDGFYJQO-UHFFFAOYSA-N 2 0 317.481 2.890 20 0 DFADRP Cc1nnsc1C[NH2+]C1CCN([C@@H](C)c2ccncc2)CC1 ZINC000647912013 431726504 /nfs/dbraw/zinc/72/65/04/431726504.db2.gz RZRCNUAZORFHMD-ZDUSSCGKSA-N 2 0 317.462 2.557 20 0 DFADRP CC1CC[NH+](C2CCC([NH2+]Cc3cnn4c3CCC4)CC2)CC1 ZINC000657414763 431735915 /nfs/dbraw/zinc/73/59/15/431735915.db2.gz BKKBJWJXXASIIE-UHFFFAOYSA-N 2 0 316.493 2.962 20 0 DFADRP C[C@H](CCNCc1ccnn1-c1cc[nH+]cc1)[NH+]1CCCCC1 ZINC000657432251 431747530 /nfs/dbraw/zinc/74/75/30/431747530.db2.gz DCUKZSFZYXIQAV-MRXNPFEDSA-N 2 0 313.449 2.621 20 0 DFADRP C[NH+](C)CC1CC[NH+](C[C@@H]2CCCN(C(=O)C(C)(C)C)C2)CC1 ZINC000647958855 431750032 /nfs/dbraw/zinc/75/00/32/431750032.db2.gz HYBZHUKTDRIOBR-KRWDZBQOSA-N 2 0 323.525 2.545 20 0 DFADRP CC[N@H+](C)C[C@@H]1CC[NH+](C[C@H]2CCCN(C(=O)C(C)(C)C)C2)C1 ZINC000647966570 431753608 /nfs/dbraw/zinc/75/36/08/431753608.db2.gz ZJKBHSOPIRPCLN-SJORKVTESA-N 2 0 323.525 2.545 20 0 DFADRP Cc1ccccc1[C@@H]1C[C@H](C)[NH+](C[C@@H](O)C[N@@H+](C)C(C)C)C1 ZINC000647964463 431755134 /nfs/dbraw/zinc/75/51/34/431755134.db2.gz LNFBKQVMPVYPAY-KSZLIROESA-N 2 0 304.478 2.874 20 0 DFADRP COCc1csc(C[NH2+][C@@H]2CCO[C@H](c3cncn3C)C2)c1 ZINC000657444182 431755698 /nfs/dbraw/zinc/75/56/98/431755698.db2.gz UCSXHUCFDRPMMO-CJNGLKHVSA-N 2 0 321.446 2.638 20 0 DFADRP Cc1ccccc1NC(=O)C[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647975188 431761181 /nfs/dbraw/zinc/76/11/81/431761181.db2.gz PCHPANYCNQDHKK-IRXDYDNUSA-N 2 0 315.461 2.645 20 0 DFADRP Cc1cccc(NC(=O)C[N@H+](C)CCCC2CC[NH2+]CC2)c1C ZINC000647872200 431714069 /nfs/dbraw/zinc/71/40/69/431714069.db2.gz GEVDDAWDPDYSNQ-UHFFFAOYSA-N 2 0 317.477 2.954 20 0 DFADRP C[C@@H]([NH2+]Cc1cnc2n1CCC2)c1ccc(-n2cccn2)cc1 ZINC000657381939 431715793 /nfs/dbraw/zinc/71/57/93/431715793.db2.gz CDZOGCREHQPNQS-CQSZACIVSA-N 2 0 307.401 2.866 20 0 DFADRP CCC[C@H](C)NC(=O)[C@@H]1CCC[N@H+](CCCC2CC[NH2+]CC2)C1 ZINC000647883382 431716881 /nfs/dbraw/zinc/71/68/81/431716881.db2.gz MUFCMGWAATWTLY-FUHWJXTLSA-N 2 0 323.525 2.783 20 0 DFADRP CO[C@@]1(C)C[C@H]([NH2+]Cc2ccnn2-c2cc[nH+]cc2)C1(C)C ZINC000657383872 431718071 /nfs/dbraw/zinc/71/80/71/431718071.db2.gz LQKHMNGOPGQOAN-RDJZCZTQSA-N 2 0 300.406 2.561 20 0 DFADRP CC(C)[C@@H]1OCCC[C@H]1C[NH2+]Cc1ccnn1-c1cc[nH+]cc1 ZINC000657389326 431719617 /nfs/dbraw/zinc/71/96/17/431719617.db2.gz KEGJUINVVTWMOY-YJBOKZPZSA-N 2 0 314.433 2.808 20 0 DFADRP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+]C[C@H]1CCN1C(C)(C)C ZINC000657522268 431794413 /nfs/dbraw/zinc/79/44/13/431794413.db2.gz AFSQNHHNRAFOGQ-QGZVFWFLSA-N 2 0 313.449 2.538 20 0 DFADRP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+]C[C@@H](C)c1ccccn1 ZINC000657534476 431800121 /nfs/dbraw/zinc/80/01/21/431800121.db2.gz GEVAGTZQQDIUHE-CQSZACIVSA-N 2 0 307.401 2.864 20 0 DFADRP C[NH+]1CCC2(CC1)C[N@H+](Cc1ccc3c(c1)CCCC3)CCO2 ZINC000648072028 431807397 /nfs/dbraw/zinc/80/73/97/431807397.db2.gz HPPLBRVHBMXPOT-UHFFFAOYSA-N 2 0 314.473 2.862 20 0 DFADRP CC[C@H](COCC1CC1)[NH2+]Cc1ccnn1-c1cc[nH+]cc1 ZINC000657563851 431809873 /nfs/dbraw/zinc/80/98/73/431809873.db2.gz XEWNOGPNLWLUFY-OAHLLOKOSA-N 2 0 300.406 2.562 20 0 DFADRP Cc1cccc(CCC[NH2+]Cc2ccnn2-c2cc[nH+]cc2)n1 ZINC000657461752 431765969 /nfs/dbraw/zinc/76/59/69/431765969.db2.gz YVYVKLTXTCNMRI-UHFFFAOYSA-N 2 0 307.401 2.693 20 0 DFADRP CC(C)[C@H]1C[C@H](C[NH2+]Cc2ccnn2-c2cc[nH+]cc2)CCO1 ZINC000657481792 431776161 /nfs/dbraw/zinc/77/61/61/431776161.db2.gz KQTHKAYXVHKXLA-CRAIPNDOSA-N 2 0 314.433 2.808 20 0 DFADRP CC(C)[C@@H](CO)[C@H]([NH2+]Cc1ccnn1-c1cc[nH+]cc1)C(C)C ZINC000657482108 431778333 /nfs/dbraw/zinc/77/83/33/431778333.db2.gz QJNATMXGIUTEER-QZTJIDSGSA-N 2 0 316.449 2.646 20 0 DFADRP COCC1(C[NH2+]Cc2ccnn2-c2cc[nH+]cc2)CCCC1 ZINC000657484948 431779982 /nfs/dbraw/zinc/77/99/82/431779982.db2.gz SGSMWHRUKNUSKN-UHFFFAOYSA-N 2 0 300.406 2.564 20 0 DFADRP C[C@@H]1CC[C@H]([NH2+]Cc2ccc(C[N@@H+]3CC[C@@H](O)C3)cc2)CS1 ZINC000657598013 431820073 /nfs/dbraw/zinc/82/00/73/431820073.db2.gz WYSAXGJHFAYVSS-FHLIZLRMSA-N 2 0 320.502 2.627 20 0 DFADRP CC1CCC([NH2+]Cc2ccc(C[N@@H+]3CC[C@H](O)C3)cc2)CC1 ZINC000657593687 431821789 /nfs/dbraw/zinc/82/17/89/431821789.db2.gz BJFNZFFZURUGHN-PPSBMQLTSA-N 2 0 302.462 2.922 20 0 DFADRP CC(C)([NH3+])CCC(=O)Nc1cc(C[NH3+])cc(C(F)(F)F)c1 ZINC000648128652 431823304 /nfs/dbraw/zinc/82/33/04/431823304.db2.gz GNMLHDDHGWAXGS-UHFFFAOYSA-N 2 0 303.328 2.620 20 0 DFADRP c1cc(C[NH+]2CCC(C[NH2+]C[C@H]3CCSC3)CC2)ccn1 ZINC000657613925 431824466 /nfs/dbraw/zinc/82/44/66/431824466.db2.gz XAZNEJBLCVCDPQ-QGZVFWFLSA-N 2 0 305.491 2.636 20 0 DFADRP CCO[C@H]1C[C@H]([NH2+]Cc2ccc(OCC[NH+]3CCCC3)cc2)C1 ZINC000657609153 431825859 /nfs/dbraw/zinc/82/58/59/431825859.db2.gz AIVBATLUIZGHLI-UAPYVXQJSA-N 2 0 318.461 2.818 20 0 DFADRP C[C@H](COc1c(F)cccc1F)[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000657629091 431828744 /nfs/dbraw/zinc/82/87/44/431828744.db2.gz ZTOHCZUSFCHDIV-RDBSUJKOSA-N 2 0 310.388 2.949 20 0 DFADRP Cc1ccc2c(C[N@@H+]3C[C@@H]4CCC[C@@H]([NH3+])[C@H]4C3)cc(=O)oc2c1 ZINC000261910892 281046809 /nfs/dbraw/zinc/04/68/09/281046809.db2.gz QFLJIFQMOPOSLP-RRQGHBQHSA-N 2 0 312.413 2.661 20 0 DFADRP Cc1ccc2c(c1)[C@H]([NH2+][C@@H]1CCN(C3CC[NH+](C)CC3)C1)CC2 ZINC000370634079 281123252 /nfs/dbraw/zinc/12/32/52/281123252.db2.gz JRNBGWOSVKQNFU-YLJYHZDGSA-N 2 0 313.489 2.740 20 0 DFADRP Cc1ccccc1C[N@@H+]1CCN(C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000362641113 281342236 /nfs/dbraw/zinc/34/22/36/281342236.db2.gz OLBOFYNWEJAJSD-QGZVFWFLSA-N 2 0 301.478 2.595 20 0 DFADRP CCC(C)(C)[NH2+][C@@H](C)C(=O)NC[C@H]1CCC[N@H+](CC(C)C)C1 ZINC000357151189 282011512 /nfs/dbraw/zinc/01/15/12/282011512.db2.gz SLUGXNCEPBAIHU-JKSUJKDBSA-N 2 0 311.514 2.637 20 0 DFADRP CCC(C)(C)[NH2+][C@H](C)C(=O)N[C@H](C)[C@H](c1ccccc1)[NH+](C)C ZINC000274805357 282026267 /nfs/dbraw/zinc/02/62/67/282026267.db2.gz UCEJVTKBWKIALE-BFYDXBDKSA-N 2 0 319.493 2.961 20 0 DFADRP Cc1[nH+]c2ccccc2c(N2CC[C@H]3OCC[N@@H+](C)[C@@H]3C2)c1C ZINC000284936683 282074266 /nfs/dbraw/zinc/07/42/66/282074266.db2.gz JEWQZKXKTKAPFU-QZTJIDSGSA-N 2 0 311.429 2.761 20 0 DFADRP C[C@@]1(C[N@@H+]2CCC[C@@H]2c2ccc3c(c2)OCCO3)CC[NH2+]C1 ZINC000262107657 289164164 /nfs/dbraw/zinc/16/41/64/289164164.db2.gz WEIMWFLUMREVIF-CRAIPNDOSA-N 2 0 302.418 2.594 20 0 DFADRP C[NH+](C)CC[C@H](NC(=O)CC1(C[NH3+])CCCCC1)C(C)(C)C ZINC000184238845 289181259 /nfs/dbraw/zinc/18/12/59/289181259.db2.gz CMIXMWICMRFAGU-HNNXBMFYSA-N 2 0 311.514 2.768 20 0 DFADRP C[C@H](C(=O)NCC(C)(C)[N@@H+]1CCC[C@H](C)C1)[NH+]1CCCCCC1 ZINC000357812964 289348842 /nfs/dbraw/zinc/34/88/42/289348842.db2.gz VEBSDJSVIWGFGW-DLBZAZTESA-N 2 0 323.525 2.878 20 0 DFADRP C[C@H](CSC(C)(C)C)[NH2+][C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000370633507 289724822 /nfs/dbraw/zinc/72/48/22/289724822.db2.gz HHUBBTRWZMMKBF-HUUCEWRRSA-N 2 0 313.555 2.665 20 0 DFADRP C[C@H]([NH2+][C@H]1CCC[C@H]([NH+](C)C)C1)c1ccc(C(=O)N(C)C)cc1 ZINC000292367133 290049659 /nfs/dbraw/zinc/04/96/59/290049659.db2.gz YZINGKAUQPOXHP-WBAXXEDZSA-N 2 0 317.477 2.912 20 0 DFADRP C[N@@H+]1CC[C@H]([NH2+][C@@H]2CCOC3(CCSCC3)C2)[C@@H]2CCC[C@@H]21 ZINC000353635277 290224619 /nfs/dbraw/zinc/22/46/19/290224619.db2.gz ZJMLAYUHIPFFIA-QZWWFDLISA-N 2 0 324.534 2.894 20 0 DFADRP CN(Cc1c[nH]nc1-c1ccsc1)C[C@@H]1CCC[N@H+](C)C1 ZINC000437594363 297065614 /nfs/dbraw/zinc/06/56/14/297065614.db2.gz WDXLBIADFJJNTN-CYBMUJFWSA-N 2 0 304.463 2.912 20 0 DFADRP CC[NH+](CC)CCOC1CC[NH+](C/C=C/c2ccncc2)CC1 ZINC000494938417 299891147 /nfs/dbraw/zinc/89/11/47/299891147.db2.gz OKWFJYULBZFPPM-AATRIKPKSA-N 2 0 317.477 2.918 20 0 DFADRP CC1CC[NH+](C2CCC([NH2+][C@@H]3CCC(=O)NC3(C)C)CC2)CC1 ZINC000495081631 299902470 /nfs/dbraw/zinc/90/24/70/299902470.db2.gz HPLAVMYDLQLJRR-OFLPRAFFSA-N 2 0 321.509 2.676 20 0 DFADRP [NH3+]CC1(CC(=O)NCC[NH2+]C2CCCCCC2)CCCCC1 ZINC000184132965 295222447 /nfs/dbraw/zinc/22/24/47/295222447.db2.gz SECNNYXYGKQEGF-UHFFFAOYSA-N 2 0 309.498 2.714 20 0 DFADRP Cc1ccc(C)c([C@@H](C)[NH2+]CCCC[NH+]2CCN(C)CC2)c1 ZINC000154362375 295298665 /nfs/dbraw/zinc/29/86/65/295298665.db2.gz YZOZBWRIQXLHTB-GOSISDBHSA-N 2 0 303.494 2.982 20 0 DFADRP Cc1ccc2c(c1)[C@@H]([NH2+]CCCC[NH+]1CCN(C)CC1)CC2 ZINC000154409972 295299456 /nfs/dbraw/zinc/29/94/56/295299456.db2.gz PHPXTKNDPCLYFO-IBGZPJMESA-N 2 0 301.478 2.600 20 0 DFADRP CC[C@H]([NH2+]CCCC[NH+]1CCN(C)CC1)c1ccc(F)cc1 ZINC000154422845 295300093 /nfs/dbraw/zinc/30/00/93/295300093.db2.gz ABQHPENJVDSNPO-SFHVURJKSA-N 2 0 307.457 2.894 20 0 DFADRP CCOc1ccccc1[C@@H](C)[NH2+]CCCC[NH+]1CCN(C)CC1 ZINC000154424799 295300179 /nfs/dbraw/zinc/30/01/79/295300179.db2.gz PNTAVKDGXYGYDS-QGZVFWFLSA-N 2 0 319.493 2.764 20 0 DFADRP [NH3+][C@@H]1CCC[C@@H](C(=O)N2CCC[C@H](C[NH+]3CCCCCC3)C2)C1 ZINC000262320827 295303594 /nfs/dbraw/zinc/30/35/94/295303594.db2.gz VPVFCAHRMMNCDN-KZNAEPCWSA-N 2 0 321.509 2.619 20 0 DFADRP CC[N@@H+]1CC[C@H](NCc2cccc(N3CCCC3=O)c2)[C@H](C)C1 ZINC000155274532 295316068 /nfs/dbraw/zinc/31/60/68/295316068.db2.gz DIBMUMJBUSUWHS-QAPCUYQASA-N 2 0 315.461 2.633 20 0 DFADRP CC[NH+]1CCN([C@H](C)C[NH2+][C@@H](C)c2cc(C)ccc2C)CC1 ZINC000155608260 295321650 /nfs/dbraw/zinc/32/16/50/295321650.db2.gz ZYJXYVJDVUTROL-MSOLQXFVSA-N 2 0 303.494 2.980 20 0 DFADRP CC[NH+]1CCN([C@H](C)C[NH2+][C@@H](C)c2ccc(C)c(C)c2)CC1 ZINC000155631237 295321980 /nfs/dbraw/zinc/32/19/80/295321980.db2.gz VDCYRGKLCOJRSV-MSOLQXFVSA-N 2 0 303.494 2.980 20 0 DFADRP C[C@@H]([NH2+]C[C@@H]1CCC[N@H+](C)C1)c1cccc(N2CCOC2=O)c1 ZINC000158167621 295359126 /nfs/dbraw/zinc/35/91/26/295359126.db2.gz ATFCVZGTJKZFTK-CABCVRRESA-N 2 0 317.433 2.636 20 0 DFADRP CC[NH+](CC)CCC[C@H](C)NC(=O)C[C@@H](C)C1CC[NH2+]CC1 ZINC000163429765 295422687 /nfs/dbraw/zinc/42/26/87/295422687.db2.gz SRMQNYMPUYYLSR-CVEARBPZSA-N 2 0 311.514 2.639 20 0 DFADRP COc1ccccc1[C@H](C)[NH2+][C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000363786160 295444322 /nfs/dbraw/zinc/44/43/22/295444322.db2.gz QCDYODPOEUAOBW-JKSUJKDBSA-N 2 0 317.477 2.514 20 0 DFADRP Cc1noc(C2CCC([NH2+][C@@H]3CCC[C@@H]([NH+](C)C)C3)CC2)n1 ZINC000368032020 295455526 /nfs/dbraw/zinc/45/55/26/295455526.db2.gz WGZZFONZVSZIBF-QDIHITRGSA-N 2 0 306.454 2.867 20 0 DFADRP CC1CC[NH+](Cc2ccc(NC(=O)[C@@]3(F)CC[NH2+]C3)cc2)CC1 ZINC000370767712 295463215 /nfs/dbraw/zinc/46/32/15/295463215.db2.gz VUPQTXICGOZGLL-GOSISDBHSA-N 2 0 319.424 2.559 20 0 DFADRP C[C@@H]1CC[C@H]([NH2+]CCCC[NH+](C)C)CN1C(=O)OC(C)(C)C ZINC000399015537 295494290 /nfs/dbraw/zinc/49/42/90/295494290.db2.gz DDQCNSWIXUDBLN-CABCVRRESA-N 2 0 313.486 2.706 20 0 DFADRP COc1ccc([C@H](C)[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)c(OC)c1 ZINC000400958856 295499105 /nfs/dbraw/zinc/49/91/05/295499105.db2.gz KIQRKESOYPBRLW-BYNSBNAKSA-N 2 0 304.434 2.743 20 0 DFADRP CC(=O)Nc1cccc([C@H](C)[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)c1 ZINC000400990073 295499322 /nfs/dbraw/zinc/49/93/22/295499322.db2.gz XRNJVXGYCLKJGS-LMWIJYBJSA-N 2 0 301.434 2.684 20 0 DFADRP C[C@@H](CNC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1)[NH+]1CCC[C@@H](C)C1 ZINC000438545110 297097806 /nfs/dbraw/zinc/09/78/06/297097806.db2.gz LKVBYHFSPKBDKN-RYRKJORJSA-N 2 0 321.509 2.630 20 0 DFADRP C[C@@H](CNC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1)[NH+]1CCC(C)CC1 ZINC000438558082 297098693 /nfs/dbraw/zinc/09/86/93/297098693.db2.gz ZYALEAJCTZIWJX-WMZOPIPTSA-N 2 0 321.509 2.630 20 0 DFADRP CC[C@H]1CCCC[N@@H+]1CCNC(=O)[C@H]1CCC[NH+]1C1CCCC1 ZINC000438569945 297099380 /nfs/dbraw/zinc/09/93/80/297099380.db2.gz UZGNSSXLOALYIR-FUHWJXTLSA-N 2 0 321.509 2.774 20 0 DFADRP CCC[NH+]1CCC(C[NH2+]Cc2cc(C(F)(F)F)n[nH]2)CC1 ZINC000440821671 297166286 /nfs/dbraw/zinc/16/62/86/297166286.db2.gz BCBIKWNIFCHBKS-UHFFFAOYSA-N 2 0 304.360 2.640 20 0 DFADRP C[C@@H](CCc1ccccc1F)[NH2+]CCN1CC[N@H+](C)C(C)(C)C1 ZINC000442868532 297208778 /nfs/dbraw/zinc/20/87/78/297208778.db2.gz CMXYXCBCNMIWPW-INIZCTEOSA-N 2 0 321.484 2.762 20 0 DFADRP C[N@@H+]1CCN(CC[NH2+][C@@H]2CC(C)(C)Cc3occc32)CC1(C)C ZINC000442875999 297209203 /nfs/dbraw/zinc/20/92/03/297209203.db2.gz QFIYVJMTTNHLSB-MRXNPFEDSA-N 2 0 319.493 2.909 20 0 DFADRP CC[N@@H+]1CC[C@H](N(C)Cc2cc(C(F)(F)F)n[nH]2)[C@@H](C)C1 ZINC000442886660 297209398 /nfs/dbraw/zinc/20/93/98/297209398.db2.gz TUKDYYSQFAFZTJ-JQWIXIFHSA-N 2 0 304.360 2.591 20 0 DFADRP [NH3+]CC[C@H]1CCC[N@H+](Cc2ccc(Oc3cnccn3)cc2)C1 ZINC000442921426 297211063 /nfs/dbraw/zinc/21/10/63/297211063.db2.gz NEBSTAXTEJUKST-OAHLLOKOSA-N 2 0 312.417 2.830 20 0 DFADRP CCOc1c(C[N@@H+]2CCC[C@H](CC[NH3+])C2)c(C)nn1CC(C)C ZINC000442917064 297211252 /nfs/dbraw/zinc/21/12/52/297211252.db2.gz BVHHKRJOCIODHS-MRXNPFEDSA-N 2 0 322.497 2.807 20 0 DFADRP Cc1nn2c(C[N@@H+]3CCC[C@@H](CC[NH3+])C3)c(C(C)C)nc2s1 ZINC000442922583 297211293 /nfs/dbraw/zinc/21/12/93/297211293.db2.gz OWZFSWQKXOAOAY-ZDUSSCGKSA-N 2 0 321.494 2.783 20 0 DFADRP CSc1ccc(NC(=O)[C@@H](C)[N@@H+]2CCC[C@@H](CC[NH3+])C2)cc1 ZINC000443057648 297214104 /nfs/dbraw/zinc/21/41/04/297214104.db2.gz HNWRXCXWDZDKHT-KGLIPLIRSA-N 2 0 321.490 2.796 20 0 DFADRP C[C@H]1C[N@H+](C)CC[C@@H]1[NH2+]CCN1CCc2c(Cl)cccc2C1 ZINC000443086848 297215681 /nfs/dbraw/zinc/21/56/81/297215681.db2.gz HRGILBRZYVPQPI-KSSFIOAISA-N 2 0 321.896 2.628 20 0 DFADRP CC[N@@H+]1CC[C@@H]([NH+](C)CCOc2cccc(OC)c2)C[C@@H]1C ZINC000443623715 297223296 /nfs/dbraw/zinc/22/32/96/297223296.db2.gz QRWZFTZUGJRAPY-JKSUJKDBSA-N 2 0 306.450 2.879 20 0 DFADRP C[NH+](C)Cc1ccc(C(=O)NCC[N@@H+]2CCCC(C)(C)C2)cc1 ZINC000444616706 297241650 /nfs/dbraw/zinc/24/16/50/297241650.db2.gz JILCIAFFNBPNAO-UHFFFAOYSA-N 2 0 317.477 2.600 20 0 DFADRP CCCc1cc(NCC[N@@H+]2CCCOCC2)c2ccccc2[nH+]1 ZINC000445672906 297264850 /nfs/dbraw/zinc/26/48/50/297264850.db2.gz CQODELIEZJAFKG-UHFFFAOYSA-N 2 0 313.445 2.743 20 0 DFADRP C[C@@H]1C[C@@H]([NH2+]CC2(O)CC[NH+](C)CC2)c2ccsc2S1 ZINC000361877275 297283487 /nfs/dbraw/zinc/28/34/87/297283487.db2.gz LPCJADMPBVQNCW-DGCLKSJQSA-N 2 0 312.504 2.720 20 0 DFADRP CCN(CC)c1ncc(C[NH2+]CC2CC[NH+](C3CC3)CC2)s1 ZINC000446887542 297289655 /nfs/dbraw/zinc/28/96/55/297289655.db2.gz VMOUWELCLQJUDW-UHFFFAOYSA-N 2 0 322.522 2.953 20 0 DFADRP Cc1ccc(NC(=O)CC[N@@H+](C)C2CC[NH+](C(C)C)CC2)nc1 ZINC000447344831 297301700 /nfs/dbraw/zinc/30/17/00/297301700.db2.gz DSCACUWQEBSORZ-UHFFFAOYSA-N 2 0 318.465 2.523 20 0 DFADRP CC[N@H+](Cc1ccc(C(=O)N[C@@H]2CC[NH2+][C@@H](C)C2)cc1)C1CC1 ZINC000447506627 297305538 /nfs/dbraw/zinc/30/55/38/297305538.db2.gz DHGUVYKZAYXGLV-WMLDXEAASA-N 2 0 315.461 2.541 20 0 DFADRP C[C@@H](c1nc2ccccc2s1)[C@H](C)[NH2+]CCOCC[NH+](C)C ZINC000447594095 297310023 /nfs/dbraw/zinc/31/00/23/297310023.db2.gz WWTQRXYVPHKUJW-KGLIPLIRSA-N 2 0 321.490 2.956 20 0 DFADRP CC[NH+]1CCN([C@@H](C)C[NH2+]Cc2ncc(C(C)(C)C)s2)CC1 ZINC000447932604 297325976 /nfs/dbraw/zinc/32/59/76/297325976.db2.gz QWRZDOQUZLEKDH-AWEZNQCLSA-N 2 0 324.538 2.556 20 0 DFADRP CCOC(=O)c1cc(CNCCC[N@@H+]2CCCC[C@H]2C)[nH]c1C ZINC000449062524 297399072 /nfs/dbraw/zinc/39/90/72/297399072.db2.gz LYWVDUGVCQYPHP-CQSZACIVSA-N 2 0 321.465 2.854 20 0 DFADRP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+]C[C@@H]2CCOC2)CC1 ZINC000449079987 297402191 /nfs/dbraw/zinc/40/21/91/297402191.db2.gz RSDPBJWXNZKXGQ-AEFFLSMTSA-N 2 0 302.462 2.708 20 0 DFADRP Cc1cccc(CC[NH2+]C2CCN(C3CC[NH+](C)CC3)CC2)c1 ZINC000449108412 297406898 /nfs/dbraw/zinc/40/68/98/297406898.db2.gz QLKHDJYFLWQUTA-UHFFFAOYSA-N 2 0 315.505 2.686 20 0 DFADRP C[NH2+][C@H](CC(C)(C)C)C(=O)NCCCCC[NH+]1CCCCC1 ZINC000449121360 297409276 /nfs/dbraw/zinc/40/92/76/297409276.db2.gz HESYUNAQJQKNJY-MRXNPFEDSA-N 2 0 311.514 2.783 20 0 DFADRP C[C@@H](Cc1ccccc1)[NH+]1CCC([NH2+]CC2(CCO)CC2)CC1 ZINC000449262131 297430797 /nfs/dbraw/zinc/43/07/97/297430797.db2.gz GPRYBBIROYVLIJ-KRWDZBQOSA-N 2 0 316.489 2.834 20 0 DFADRP [NH3+][C@@H]1CCCC[C@H]1CC(=O)NCCCCC[NH+]1CCCCC1 ZINC000449352048 297452251 /nfs/dbraw/zinc/45/22/51/297452251.db2.gz RXYPHJPIUHXQMS-DLBZAZTESA-N 2 0 309.498 2.666 20 0 DFADRP CC[C@H](C)[C@H](C[NH2+]Cc1cn(-c2cc[nH+]cc2)nc1C)OC ZINC000449403099 297459577 /nfs/dbraw/zinc/45/95/77/297459577.db2.gz OHOGNURWQROTGP-GUYCJALGSA-N 2 0 302.422 2.726 20 0 DFADRP CCOC(=O)c1cc(C[NH2+]C(C)(C)CCC[NH+](C)C)[nH]c1C ZINC000449524818 297486340 /nfs/dbraw/zinc/48/63/40/297486340.db2.gz AKWNZYZOHMNDGG-UHFFFAOYSA-N 2 0 309.454 2.710 20 0 DFADRP CC[NH+]1CCN(CC(C)(C)[NH2+]Cc2scnc2C2CC2)CC1 ZINC000449746146 297525443 /nfs/dbraw/zinc/52/54/43/297525443.db2.gz QHNPRNIKIZATPA-UHFFFAOYSA-N 2 0 322.522 2.526 20 0 DFADRP CC[NH+]1CCN(CC(C)(C)[NH2+]Cc2ccc([C@@H]3C[C@@H]3C)o2)CC1 ZINC000449748947 297526803 /nfs/dbraw/zinc/52/68/03/297526803.db2.gz DHDHAKDKHVXXQR-DOTOQJQBSA-N 2 0 319.493 2.909 20 0 DFADRP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CC[NH+](CC2CC(F)(F)C2)CC1 ZINC000450329506 297612839 /nfs/dbraw/zinc/61/28/39/297612839.db2.gz QONZAXJIFVTJRV-HUUCEWRRSA-N 2 0 315.452 2.522 20 0 DFADRP COC1([C@@H](C)[NH2+]CCCCC[NH+]2CCCCC2)CCOCC1 ZINC000453113043 298062882 /nfs/dbraw/zinc/06/28/82/298062882.db2.gz GFTUOZAKHHVZQJ-QGZVFWFLSA-N 2 0 312.498 2.816 20 0 DFADRP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1[NH2+][C@@H](C)Cc1cnccn1 ZINC000453142365 298066697 /nfs/dbraw/zinc/06/66/97/298066697.db2.gz ZERFHFWQNRJLJB-BQFCYCMXSA-N 2 0 304.482 2.898 20 0 DFADRP c1ccc(C[N@@H+]2CC[C@H]([NH2+][C@@H]3CCOC3)[C@H]3CCC[C@@H]32)cc1 ZINC000453179642 298069113 /nfs/dbraw/zinc/06/91/13/298069113.db2.gz UYYOJGIXIOTDQQ-YRXWBPOGSA-N 2 0 300.446 2.808 20 0 DFADRP C[C@H](Cc1cnccn1)[NH2+][C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000453198194 298070616 /nfs/dbraw/zinc/07/06/16/298070616.db2.gz OUTRZNVOWXXHAO-BZUAXINKSA-N 2 0 302.466 2.650 20 0 DFADRP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]CCOc1ccc(F)c(Cl)c1 ZINC000453260198 298077634 /nfs/dbraw/zinc/07/76/34/298077634.db2.gz CSYKJZATJNSNNU-IAQYHMDHSA-N 2 0 300.805 2.788 20 0 DFADRP CO[C@@H]1CCC[C@H]1[NH2+][C@H](C)c1ccc(OCC[NH+](C)C)cc1 ZINC000453332668 298083829 /nfs/dbraw/zinc/08/38/29/298083829.db2.gz VKCPXGXKVQMKSD-ZTFGCOKTSA-N 2 0 306.450 2.845 20 0 DFADRP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@@H]1CCC[C@H]1O ZINC000453364986 298087244 /nfs/dbraw/zinc/08/72/44/298087244.db2.gz CHFLDYRDHPIMHC-GDAAHCPNSA-N 2 0 302.462 2.648 20 0 DFADRP CC[C@H](O)[C@H](CC)[NH2+][C@@H](C)c1cccc(OCC[NH+](C)C)c1 ZINC000453378397 298087998 /nfs/dbraw/zinc/08/79/98/298087998.db2.gz QMKIODYDOPVAGJ-WBAXXEDZSA-N 2 0 308.466 2.827 20 0 DFADRP CC[C@@H]([NH2+][C@H](C)c1cccc(OCC[NH+](C)C)c1)[C@@H](O)CC ZINC000453378393 298088333 /nfs/dbraw/zinc/08/83/33/298088333.db2.gz QMKIODYDOPVAGJ-OLMNPRSZSA-N 2 0 308.466 2.827 20 0 DFADRP O[C@@H]1CCC[C@H]1C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000453391246 298089147 /nfs/dbraw/zinc/08/91/47/298089147.db2.gz SXMZPGOSPFRUNI-WKWVNEEDSA-N 2 0 314.473 2.933 20 0 DFADRP C[C@H]([NH2+]CCCC[N@H+](C)C1CC1)c1ccc(-n2cncn2)cc1 ZINC000453399230 298089692 /nfs/dbraw/zinc/08/96/92/298089692.db2.gz LDOYUTBHVIIYHN-HNNXBMFYSA-N 2 0 313.449 2.792 20 0 DFADRP CCOC(=O)[C@@H]1CC[C@@H]([NH2+]CCCC[N@H+](C)C2CC2)C[C@@H]1C ZINC000453411663 298091869 /nfs/dbraw/zinc/09/18/69/298091869.db2.gz VWRAHJDPVKHOKD-ZMSDIMECSA-N 2 0 310.482 2.818 20 0 DFADRP Cc1cnc(CC[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)cn1 ZINC000453418527 298092688 /nfs/dbraw/zinc/09/26/88/298092688.db2.gz YHJYMQGJNALVNE-OXQOHEQNSA-N 2 0 324.472 2.828 20 0 DFADRP C[C@H]([NH2+]CCCC[N@H+](C)C1CC1)c1ccc2c(c1)OCCO2 ZINC000453442229 298096279 /nfs/dbraw/zinc/09/62/79/298096279.db2.gz YCOHVYALHZRGAT-AWEZNQCLSA-N 2 0 304.434 2.983 20 0 DFADRP Cc1ccc(C[C@H](CO)[NH2+][C@@H]2C[C@H](C)[N@@H+](C)C[C@H]2C)cc1C ZINC000453469200 298097604 /nfs/dbraw/zinc/09/76/04/298097604.db2.gz ZXSZLKQVMMIHAN-UKBAYJJMSA-N 2 0 304.478 2.525 20 0 DFADRP Cc1ccc(C[C@H](CO)[NH2+][C@@H]2C[C@@H](C)[N@@H+](C)C[C@@H]2C)cc1C ZINC000453469198 298097641 /nfs/dbraw/zinc/09/76/41/298097641.db2.gz ZXSZLKQVMMIHAN-QFHJOOASSA-N 2 0 304.478 2.525 20 0 DFADRP O[C@H]1CCC[C@@H]1C[NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]12 ZINC000453625932 298106771 /nfs/dbraw/zinc/10/67/71/298106771.db2.gz FPXBIJQOPIUBCJ-WAPOTWQKSA-N 2 0 314.473 2.648 20 0 DFADRP CCCC[NH+]1CCC(NC(=O)C2C[NH+](C3CCCCC3)C2)CC1 ZINC000457549361 298750248 /nfs/dbraw/zinc/75/02/48/298750248.db2.gz GXAMOAGGQFZQSE-UHFFFAOYSA-N 2 0 321.509 2.632 20 0 DFADRP C[C@H](C[NH2+][C@@H](C)c1ccc(C(=O)N(C)C)cc1)C[NH+]1CCCC1 ZINC000292384148 298778864 /nfs/dbraw/zinc/77/88/64/298778864.db2.gz ZWDDQUMOEWHENG-CVEARBPZSA-N 2 0 317.477 2.771 20 0 DFADRP CC[N@@H+]1CC[C@H]([NH+](C)CCCNC(=O)OC(C)(C)C)[C@H](C)C1 ZINC000496072621 300015732 /nfs/dbraw/zinc/01/57/32/300015732.db2.gz SBBGKGNCBXVACF-CABCVRRESA-N 2 0 313.486 2.563 20 0 DFADRP CCC[NH2+]CC[NH2+][C@H]1CCCN(C(=O)Oc2ccccc2)CC1 ZINC000496254082 300036387 /nfs/dbraw/zinc/03/63/87/300036387.db2.gz LPKCGTJXWIZXCT-INIZCTEOSA-N 2 0 319.449 2.629 20 0 DFADRP C[C@H]([NH2+][C@@H]1CCC[C@@H]([NH3+])C1)c1cccc(N2CCOC2=O)c1 ZINC000496284985 300041037 /nfs/dbraw/zinc/04/10/37/300041037.db2.gz QDTJAOADEAKHND-NWANDNLSSA-N 2 0 303.406 2.564 20 0 DFADRP [NH3+][C@@H]1CCC[C@H]1[NH2+]CCCCCNC(=O)OCc1ccccc1 ZINC000496638091 300091404 /nfs/dbraw/zinc/09/14/04/300091404.db2.gz AKHNCRZULAWYKP-IAGOWNOFSA-N 2 0 319.449 2.553 20 0 DFADRP CC[C@@H]([NH2+]CCc1ccc(NC(=O)OC)cc1)[C@H]1CCCC[NH2+]1 ZINC000496923936 300133256 /nfs/dbraw/zinc/13/32/56/300133256.db2.gz HLYRTRNICYWZMX-IAGOWNOFSA-N 2 0 319.449 2.918 20 0 DFADRP C[C@H]([NH2+]C[C@H]1CCC[C@@H]([NH3+])C1)c1cccc(N2CCOC2=O)c1 ZINC000496970784 300140587 /nfs/dbraw/zinc/14/05/87/300140587.db2.gz YMSNGPHCZBNBSH-OFQRWUPVSA-N 2 0 317.433 2.811 20 0 DFADRP C[C@H]([NH2+][C@@H]1CCCC[C@H]1C[NH3+])c1cccc(N2CCOC2=O)c1 ZINC000496972112 300140594 /nfs/dbraw/zinc/14/05/94/300140594.db2.gz BFSXHUBLADMNDM-JLJPHGGASA-N 2 0 317.433 2.811 20 0 DFADRP C[C@H]([NH2+]C1CCC([NH3+])CC1)c1cccc(N2CCOC2=O)c1 ZINC000497029636 300149691 /nfs/dbraw/zinc/14/96/91/300149691.db2.gz RSDNTVOARZMOPT-GRTSSRMGSA-N 2 0 303.406 2.564 20 0 DFADRP CN1CC[C@H]([NH2+][C@@H]2CCC[C@H]([NH3+])C2)[C@H]1c1ccc(F)c(F)c1 ZINC000514614770 300262941 /nfs/dbraw/zinc/26/29/41/300262941.db2.gz JULHCAFRHFQNAS-UWWPHRKUSA-N 2 0 309.404 2.570 20 0 DFADRP Cc1ccc(C[NH+]2CC[C@@H](C[N@H+](C)C[C@H]3CCOC3)C2)s1 ZINC000515018993 300284819 /nfs/dbraw/zinc/28/48/19/300284819.db2.gz NJFXXFOTQOEVGT-JKSUJKDBSA-N 2 0 308.491 2.847 20 0 DFADRP CC(C)(C)[NH+]1CCC([NH2+]C[C@H](O)Cc2ccc(F)cc2)CC1 ZINC000515054808 300287531 /nfs/dbraw/zinc/28/75/31/300287531.db2.gz NXZGEJUYVSZVNP-QGZVFWFLSA-N 2 0 308.441 2.582 20 0 DFADRP [NH3+][C@H](CCC(=O)N1CC[C@H]([NH+]2CCCC2)C1)CC1CCCCC1 ZINC000515057243 300287821 /nfs/dbraw/zinc/28/78/21/300287821.db2.gz WOEFIRUGHSXBJY-MSOLQXFVSA-N 2 0 321.509 2.761 20 0 DFADRP [NH3+][C@@H](CC1CCCCC1)C(=O)Nc1cccc2c1CC[NH2+]C2 ZINC000515233904 300297047 /nfs/dbraw/zinc/29/70/47/300297047.db2.gz BENOTVMTVGMXCY-INIZCTEOSA-N 2 0 301.434 2.569 20 0 DFADRP [NH3+][C@@H]1CCC[C@@H]([NH2+]C2CCN(Cc3ccc(F)cc3)CC2)C1 ZINC000515311553 300300509 /nfs/dbraw/zinc/30/05/09/300300509.db2.gz NMDAMPPGSVJKND-SJLPKXTDSA-N 2 0 305.441 2.650 20 0 DFADRP C[C@@H](Cc1ccsc1)[NH2+]Cc1cc(C2CC[NH2+]CC2)no1 ZINC000515414911 300305780 /nfs/dbraw/zinc/30/57/80/300305780.db2.gz XHZXJXPHEAQNOX-LBPRGKRZSA-N 2 0 305.447 2.924 20 0 DFADRP Clc1ccc(-c2n[nH]cc2C[NH2+]CC[C@H]2CCC[NH2+]2)cc1 ZINC000515516666 300312341 /nfs/dbraw/zinc/31/23/41/300312341.db2.gz CLQAMJBBBKKTNJ-OAHLLOKOSA-N 2 0 304.825 2.962 20 0 DFADRP CC(C)[N@H+](C)CC1CCN(Cc2cc(C(F)(F)F)n[nH]2)CC1 ZINC000515975011 300325633 /nfs/dbraw/zinc/32/56/33/300325633.db2.gz OEDYPFNBCZUPLF-UHFFFAOYSA-N 2 0 318.387 2.981 20 0 DFADRP COc1cccc(CC[NH2+][C@@H]2CC[N@H+](C)[C@@H]3CCC[C@@H]32)c1OC ZINC000516324514 300340296 /nfs/dbraw/zinc/34/02/96/300340296.db2.gz JPDRFVHHCBDHSA-BRWVUGGUSA-N 2 0 318.461 2.709 20 0 DFADRP CCC[N@@H+]1CCC[C@H]1CNC(=O)CC[NH+](C)C1CCCCC1 ZINC000516798421 300361229 /nfs/dbraw/zinc/36/12/29/300361229.db2.gz VMCAHAJEUCRAJQ-KRWDZBQOSA-N 2 0 309.498 2.632 20 0 DFADRP C[C@@H](CCCO)[NH2+][C@@H]1CCN(Cc2ccccc2)C2(CC2)C1 ZINC000516969586 300374132 /nfs/dbraw/zinc/37/41/32/300374132.db2.gz BFZFOPAAZDDJTK-FUHWJXTLSA-N 2 0 302.462 2.934 20 0 DFADRP C[C@H](CCCO)[NH2+][C@@H]1CCN(Cc2ccccc2)C2(CC2)C1 ZINC000516969587 300374190 /nfs/dbraw/zinc/37/41/90/300374190.db2.gz BFZFOPAAZDDJTK-SJLPKXTDSA-N 2 0 302.462 2.934 20 0 DFADRP Cc1ccc(C[NH2+][C@@H]2CCCC[C@H]2C[NH3+])c(O[C@@H]2CCOC2)c1 ZINC000517123101 300384211 /nfs/dbraw/zinc/38/42/11/300384211.db2.gz QQEZLVOEMZBBEG-CGTJXYLNSA-N 2 0 318.461 2.770 20 0 DFADRP Cc1nccn1-c1ccc(C[NH2+][C@@H](C)[C@@H]2CCC[NH2+]C2)cc1F ZINC000518753839 300430765 /nfs/dbraw/zinc/43/07/65/300430765.db2.gz ODLQPYDGOOELEZ-XJKSGUPXSA-N 2 0 316.424 2.798 20 0 DFADRP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+]C[C@@H](C)c1ccncc1 ZINC000527797019 300691926 /nfs/dbraw/zinc/69/19/26/300691926.db2.gz NMGLFMFJUZLRGS-CQSZACIVSA-N 2 0 307.401 2.864 20 0 DFADRP C[C@H]([NH2+]CCc1cccc2c1OC(F)(F)O2)[C@@H]1CCC[NH2+]C1 ZINC000530215273 301029768 /nfs/dbraw/zinc/02/97/68/301029768.db2.gz GGRAPGGTKLLZLN-WCQYABFASA-N 2 0 312.360 2.528 20 0 DFADRP CC[N@H+](C[C@H](Cc1ccc(F)cc1)OC)[C@@H]1CCC[NH2+]CC1 ZINC000530219445 301030847 /nfs/dbraw/zinc/03/08/47/301030847.db2.gz PPILBSZHYLSLSV-MSOLQXFVSA-N 2 0 308.441 2.847 20 0 DFADRP CCOc1ccccc1C[NH+]1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000530247644 301033611 /nfs/dbraw/zinc/03/36/11/301033611.db2.gz BLICSSOVDNTOOZ-GOSISDBHSA-N 2 0 318.461 2.676 20 0 DFADRP C(=C/c1ccccc1)\C[NH+]1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000530249311 301034260 /nfs/dbraw/zinc/03/42/60/301034260.db2.gz VAHNYLFITLJXBG-ZLHKHBAESA-N 2 0 300.446 2.790 20 0 DFADRP C([C@H]1CCC2(CCCC2)O1)[NH+]1CCC(C[NH+]2CCOCC2)CC1 ZINC000530419110 301047272 /nfs/dbraw/zinc/04/72/72/301047272.db2.gz UBABBFFGUPNGOJ-GOSISDBHSA-N 2 0 322.493 2.522 20 0 DFADRP CCN(CC)C(=O)C[C@@H](C)[NH2+]CCCC[N@@H+]1CCC[C@@H](C)C1 ZINC000531681428 301103740 /nfs/dbraw/zinc/10/37/40/301103740.db2.gz XDRQBSVLPQYTNX-IAGOWNOFSA-N 2 0 311.514 2.735 20 0 DFADRP COc1cc(C[NH2+][C@H]2CC[N@H+](C)C[C@@H]2C)ccc1OC(F)F ZINC000531945244 301120490 /nfs/dbraw/zinc/12/04/90/301120490.db2.gz PBAUKEZNBSNDPY-AAEUAGOBSA-N 2 0 314.376 2.726 20 0 DFADRP CCC[NH+](CCC)CCC[NH2+]C1CCN(c2cnccn2)CC1 ZINC000531965510 301121732 /nfs/dbraw/zinc/12/17/32/301121732.db2.gz DRPNIJSBSCHIHG-UHFFFAOYSA-N 2 0 319.497 2.547 20 0 DFADRP COc1cc(C)ccc1[C@H](C)[NH2+]CCCC[N@@H+]1CCC[C@@H]1CO ZINC000531970032 301122153 /nfs/dbraw/zinc/12/21/53/301122153.db2.gz BAVNPBLWZPZBAM-DLBZAZTESA-N 2 0 320.477 2.891 20 0 DFADRP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@H]1CCc2c1cccc2Cl ZINC000532231230 301138375 /nfs/dbraw/zinc/13/83/75/301138375.db2.gz HDHPZZMGWQQQRD-DYVFJYSZSA-N 2 0 307.869 2.553 20 0 DFADRP CC[C@H]1CCC[C@H]1[NH2+]Cc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000532451980 301153734 /nfs/dbraw/zinc/15/37/34/301153734.db2.gz NBDUSDFEBZXWKQ-DLBZAZTESA-N 2 0 302.466 2.502 20 0 DFADRP C[C@H]([NH2+]C[C@H]1CCC[N@H+](C)C1)c1cccc(N2CCOCC2)c1 ZINC000532506871 301157077 /nfs/dbraw/zinc/15/70/77/301157077.db2.gz XPILRHKBRGNMRD-DLBZAZTESA-N 2 0 317.477 2.516 20 0 DFADRP O[C@@H]1CCC[C@H]1[NH+]1CCC([NH2+]Cc2cccc3cc[nH]c32)CC1 ZINC000532627219 301163944 /nfs/dbraw/zinc/16/39/44/301163944.db2.gz FUFVKURMWPSEGG-QZTJIDSGSA-N 2 0 313.445 2.635 20 0 DFADRP CC(C)(C)[N@@H+]1CCCN(C(=O)[C@H]2CCC[NH+]2C2CCCC2)CC1 ZINC000533376523 301198457 /nfs/dbraw/zinc/19/84/57/301198457.db2.gz XGLMZDGJFWUSPI-QGZVFWFLSA-N 2 0 321.509 2.726 20 0 DFADRP C[C@@H](C[NH2+][C@@H]1CCCc2ccc(Cl)cc21)N1CC[NH+](C)CC1 ZINC000534970624 301239923 /nfs/dbraw/zinc/23/99/23/301239923.db2.gz ATSUDVGTKVOPEP-KBXCAEBGSA-N 2 0 321.896 2.943 20 0 DFADRP C[C@H]([NH2+]CC1(N2CCCCC2)CC[NH+](C)CC1)c1cscn1 ZINC000535065392 301246858 /nfs/dbraw/zinc/24/68/58/301246858.db2.gz PJPRSESUSYWHMR-HNNXBMFYSA-N 2 0 322.522 2.744 20 0 DFADRP CC[C@H]([NH2+]C1CC[NH+]([C@H]2CCCC[C@H]2O)CC1)C1CCOCC1 ZINC000539060425 301337188 /nfs/dbraw/zinc/33/71/88/301337188.db2.gz HJDSFJLHAOSVEP-GBESFXJTSA-N 2 0 324.509 2.549 20 0 DFADRP CC[C@H]([NH2+]C1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)C1CCOCC1 ZINC000539060431 301337453 /nfs/dbraw/zinc/33/74/53/301337453.db2.gz HJDSFJLHAOSVEP-OTWHNJEPSA-N 2 0 324.509 2.549 20 0 DFADRP CC(C)[N@H+](C)CC1CC[NH+](Cc2cccc3nccn32)CC1 ZINC000539409110 301341729 /nfs/dbraw/zinc/34/17/29/301341729.db2.gz JIHAIGRXGRUDHB-UHFFFAOYSA-N 2 0 300.450 2.887 20 0 DFADRP Cc1cccc(NC(=O)C[C@H](C)[NH2+]CC2=CC[N@H+](C)CC2)c1 ZINC000540604999 301366099 /nfs/dbraw/zinc/36/60/99/301366099.db2.gz CJQJCQCEAQEUMC-HNNXBMFYSA-N 2 0 301.434 2.564 20 0 DFADRP CC[N@@H+]1CC[C@@H](Nc2cccc(OCC[NH+](C)C)c2)[C@H](C)C1 ZINC000540839557 301370629 /nfs/dbraw/zinc/37/06/29/301370629.db2.gz WEIWJICMRSHRMX-CRAIPNDOSA-N 2 0 305.466 2.769 20 0 DFADRP CC(C)[C@H]([NH2+]Cc1ccccc1C[N@@H+]1CC[C@H](O)C1)C1CC1 ZINC000540988414 301380049 /nfs/dbraw/zinc/38/00/49/301380049.db2.gz LFIBUVNANQZTAP-OALUTQOASA-N 2 0 302.462 2.777 20 0 DFADRP CC[N@H+](CCC1CC[NH+]([C@@H](C(=O)OC)C2CC2)CC1)CC1CC1 ZINC000541057371 301382253 /nfs/dbraw/zinc/38/22/53/301382253.db2.gz HCGMPXGPBJYKOT-GOSISDBHSA-N 2 0 322.493 2.772 20 0 DFADRP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+]CC[C@H]1CCO[C@@H](C)C1 ZINC000541370259 301385238 /nfs/dbraw/zinc/38/52/38/301385238.db2.gz ZTNISYYDVKOQCP-HOCLYGCPSA-N 2 0 314.433 2.871 20 0 DFADRP C[NH+]1CCN(c2cc[nH+]cc2N[C@H]2CC[C@@H]2C2CCC2)CC1 ZINC000548884999 301621384 /nfs/dbraw/zinc/62/13/84/301621384.db2.gz RVPGORACYOQRLO-CVEARBPZSA-N 2 0 300.450 2.824 20 0 DFADRP CCc1ccc([C@@H](CNC(=O)CCCC[NH+](C)C)[NH+](C)C)cc1 ZINC000552118709 301681598 /nfs/dbraw/zinc/68/15/98/301681598.db2.gz SKKOOUATVRFZDB-GOSISDBHSA-N 2 0 319.493 2.700 20 0 DFADRP CC[NH+](CC)[C@H](CNC(=O)CC[NH2+]C(C)C)c1ccsc1 ZINC000553952652 301723388 /nfs/dbraw/zinc/72/33/88/301723388.db2.gz MZSGSIOLDUZQEC-OAHLLOKOSA-N 2 0 311.495 2.635 20 0 DFADRP C[NH+](C)C1(CNC(=O)[C@@H]2C[C@@H]3CCCC[C@@H]3[NH2+]2)CCCCCC1 ZINC000554300933 301730272 /nfs/dbraw/zinc/73/02/72/301730272.db2.gz OPSAXOXQYVOLLD-ULQDDVLXSA-N 2 0 321.509 2.678 20 0 DFADRP C[NH+]1CCN(C[C@H]([NH2+][C@H]2CC[C@@H]2C2CC2)c2ccccc2)CC1 ZINC000554360860 301733017 /nfs/dbraw/zinc/73/30/17/301733017.db2.gz MWQWZNOWXXDEMJ-AABGKKOBSA-N 2 0 313.489 2.753 20 0 DFADRP C[NH+](C)CCNC(=O)C1CC[NH+](C[C@H]2CCCC(C)(C)C2)CC1 ZINC000556843120 301815434 /nfs/dbraw/zinc/81/54/34/301815434.db2.gz HQZAICLJVHNWIT-INIZCTEOSA-N 2 0 323.525 2.593 20 0 DFADRP C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)Nc1ccc2c(c1)C[NH2+]C2 ZINC000561060905 301920830 /nfs/dbraw/zinc/92/08/30/301920830.db2.gz SOTZYVAWLZUGSQ-ZIAGYGMSSA-N 2 0 316.449 2.674 20 0 DFADRP [NH3+]C1C[C@H]2CCC[C@@H](C1)C2[NH2+]Cc1ccc(-n2ccnc2)cc1 ZINC000562744089 301998360 /nfs/dbraw/zinc/99/83/60/301998360.db2.gz GAMSMLCBKDHUJA-GIOYIUAESA-N 2 0 310.445 2.868 20 0 DFADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+][C@H]1CCCC[C@@H]1N1CCOCC1 ZINC000562958974 302018316 /nfs/dbraw/zinc/01/83/16/302018316.db2.gz ZSFIWHHIEYJBBY-XWSJACJDSA-N 2 0 323.525 2.530 20 0 DFADRP CC[N@H+](CCC1CC[NH+](CCCC(=O)N(C)C)CC1)CC1CC1 ZINC000563352581 302065560 /nfs/dbraw/zinc/06/55/60/302065560.db2.gz CWDXZFDMZUEKAT-UHFFFAOYSA-N 2 0 323.525 2.689 20 0 DFADRP Cn1nccc1[C@H]1[C@H](C[NH2+][C@@H]2CCC[C@@H]2CCF)CCCN1C ZINC000563465645 302075734 /nfs/dbraw/zinc/07/57/34/302075734.db2.gz XJQUHHGDJAHVKO-KYHPRHEASA-N 2 0 322.472 2.921 20 0 DFADRP c1ccc(-c2nnc([C@@H]3CCC[N@H+]3CC[C@H]3CC[NH2+]C3)[nH]2)cc1 ZINC000563670166 302091611 /nfs/dbraw/zinc/09/16/11/302091611.db2.gz LXRUMGCBGOGBCI-ZBFHGGJFSA-N 2 0 311.433 2.608 20 0 DFADRP Fc1cc(OCCN2CC[C@]3(C2)CCC[NH2+]C3)ccc1Cl ZINC000563810051 302099676 /nfs/dbraw/zinc/09/96/76/302099676.db2.gz BLJIVYYKQZJFBV-MRXNPFEDSA-N 2 0 312.816 2.933 20 0 DFADRP CC[NH+]1CCC(C[NH2+][C@H](COC)c2ccc(F)c(F)c2)CC1 ZINC000563829179 302101670 /nfs/dbraw/zinc/10/16/70/302101670.db2.gz YQZZWTABDCNIHZ-QGZVFWFLSA-N 2 0 312.404 2.974 20 0 DFADRP Cc1cccc(NC(=O)C[C@H](C)[NH2+][C@@H]2CCCC[C@@H]2C[NH3+])c1 ZINC000564649641 302146987 /nfs/dbraw/zinc/14/69/87/302146987.db2.gz HVGJEGHEAZWQIB-ZMSDIMECSA-N 2 0 303.450 2.819 20 0 DFADRP C[C@H](c1ccncc1)N1CCC([NH2+][C@@H](C)[C@@H]2CCC[NH2+]C2)CC1 ZINC000564714026 302152687 /nfs/dbraw/zinc/15/26/87/302152687.db2.gz RRXRVYBJXYNWJB-LZLYRXPVSA-N 2 0 316.493 2.585 20 0 DFADRP Cc1cccc(C)c1NC(=O)[C@H](C)[NH+]1CCC(CC[NH3+])CC1 ZINC000564803501 302160037 /nfs/dbraw/zinc/16/00/37/302160037.db2.gz RAHRCOYNIVROBG-HNNXBMFYSA-N 2 0 303.450 2.691 20 0 DFADRP CC(C)C[N@@H+]1CC[C@@H](C[NH2+]CCC(=O)Nc2cccc(F)c2)C1 ZINC000564847816 302163511 /nfs/dbraw/zinc/16/35/11/302163511.db2.gz BXOHLHVRVWSYJT-HNNXBMFYSA-N 2 0 321.440 2.722 20 0 DFADRP C[C@@H]1CCCC[N@@H+]1CCCC[NH2+]C[C@@H](O)COc1ccccc1 ZINC000564845974 302163818 /nfs/dbraw/zinc/16/38/18/302163818.db2.gz YAQWLAREBHYPLC-QZTJIDSGSA-N 2 0 320.477 2.671 20 0 DFADRP O=C(CC[NH2+]CC1CC[NH+](C2CC2)CC1)Nc1cccc(F)c1 ZINC000564864019 302165969 /nfs/dbraw/zinc/16/59/69/302165969.db2.gz NXINHGLXVTZQRJ-UHFFFAOYSA-N 2 0 319.424 2.618 20 0 DFADRP CCc1cccc(C[NH2+]C[C@H](C(C)C)N2CC[NH+](C)CC2)c1 ZINC000565079414 302191916 /nfs/dbraw/zinc/19/19/16/302191916.db2.gz IBYLKPSDFXBTBC-LJQANCHMSA-N 2 0 303.494 2.611 20 0 DFADRP C[C@@H](c1nc(-c2ccccc2)no1)[NH+]1CCC(CC[NH3+])CC1 ZINC000565096828 302193705 /nfs/dbraw/zinc/19/37/05/302193705.db2.gz ZDAFGVULIAODEG-ZDUSSCGKSA-N 2 0 300.406 2.858 20 0 DFADRP CC[N@H+](C)C[C@H](O)C[NH+]1CC[C@@](C)(CCc2ccccc2)C1 ZINC000565155534 302198778 /nfs/dbraw/zinc/19/87/78/302198778.db2.gz GHJWTQMSFBNBAY-RBUKOAKNSA-N 2 0 304.478 2.644 20 0 DFADRP C[C@H]1C[C@@H](NC2CC([NH+](C)C)C2)CC[N@@H+]1Cc1ccccc1 ZINC000565218804 302208778 /nfs/dbraw/zinc/20/87/78/302208778.db2.gz PCKPQNRBTDVMCO-FLODPWGTSA-N 2 0 301.478 2.722 20 0 DFADRP COc1ccc([C@H](CN[C@H]2CCC[C@@H]([NH3+])C2)[NH+]2CCCC2)cc1 ZINC000565225296 302209785 /nfs/dbraw/zinc/20/97/85/302209785.db2.gz CGPZHGHBGNUYID-AOIWGVFYSA-N 2 0 317.477 2.692 20 0 DFADRP Brc1cccc2c1C[C@@H]([NH2+]CCN1CCCC1)CC2 ZINC000565293032 302215975 /nfs/dbraw/zinc/21/59/75/302215975.db2.gz NWLYYKVGUWOBTA-AWEZNQCLSA-N 2 0 323.278 2.992 20 0 DFADRP C[NH+](C)C1CCC([NH2+]C[C@H](O)Cc2cccc(Cl)c2)CC1 ZINC000565298908 302216207 /nfs/dbraw/zinc/21/62/07/302216207.db2.gz AWOYXQGUTLNBBW-OFLPRAFFSA-N 2 0 310.869 2.706 20 0 DFADRP CCc1noc(-c2ccc(CC[NH2+]C3CCC([NH3+])CC3)cc2)n1 ZINC000565409885 302223457 /nfs/dbraw/zinc/22/34/57/302223457.db2.gz NUFMZDSGSUZFLK-UHFFFAOYSA-N 2 0 314.433 2.701 20 0 DFADRP c1cc2c(cc1C[NH2+][C@@H]1CCCC13CCOCC3)C[NH2+]CC2 ZINC000565838848 302244189 /nfs/dbraw/zinc/24/41/89/302244189.db2.gz UFRQBSBWPFBAPD-GOSISDBHSA-N 2 0 300.446 2.771 20 0 DFADRP Cc1cc(C)n(-c2ccccc2C[NH2+][C@H](C)[C@H]2CCC[NH2+]C2)n1 ZINC000566056386 302256095 /nfs/dbraw/zinc/25/60/95/302256095.db2.gz XYNFBWZNALXXSI-SJORKVTESA-N 2 0 312.461 2.967 20 0 DFADRP [NH3+][C@H]1C[C@H](NC2CC[NH+](Cc3ccncc3)CC2)c2ccccc21 ZINC000566089237 302258676 /nfs/dbraw/zinc/25/86/76/302258676.db2.gz JDKWKPQNLBPMQL-PMACEKPBSA-N 2 0 322.456 2.780 20 0 DFADRP C[C@H]1C[C@@H]([NH3+])CC[N@@H+]1Cc1cccc(OCC(F)(F)F)c1 ZINC000566412595 302284937 /nfs/dbraw/zinc/28/49/37/302284937.db2.gz XVQABMNMIKLCEM-AAEUAGOBSA-N 2 0 302.340 2.939 20 0 DFADRP CC[C@H](c1ccccc1)[C@@H]1CCC[N@@H+]1C[C@H](O)C[NH+](C)CC ZINC000566686174 302304200 /nfs/dbraw/zinc/30/42/00/302304200.db2.gz BYTSJAYJMCEJBX-QRVBRYPASA-N 2 0 304.478 2.957 20 0 DFADRP CC[NH+]1CCC(C[NH2+][C@@H]2CCC(=O)Nc3ccccc32)CC1 ZINC000566939659 302323451 /nfs/dbraw/zinc/32/34/51/302323451.db2.gz ASMJVHJEGOJIDT-MRXNPFEDSA-N 2 0 301.434 2.782 20 0 DFADRP C[NH2+]Cc1ccccc1NC(=O)N[C@@H](C)C[NH+]1CCC(C)CC1 ZINC000567063073 302332910 /nfs/dbraw/zinc/33/29/10/302332910.db2.gz NXVWFTXRGDKJJV-HNNXBMFYSA-N 2 0 318.465 2.648 20 0 DFADRP C[C@@H](CNC(=O)CC[C@@H]([NH3+])CC1CCCCC1)[NH+]1CCCC1 ZINC000567164806 302340909 /nfs/dbraw/zinc/34/09/09/302340909.db2.gz XLYIKSOGZVOGHU-DOTOQJQBSA-N 2 0 309.498 2.665 20 0 DFADRP [NH3+][C@H]1CCC[C@H](NCC2([NH+]3CCSCC3)CCCCC2)C1 ZINC000567249891 302345411 /nfs/dbraw/zinc/34/54/11/302345411.db2.gz XSLLWFRVTJUBNE-HOTGVXAUSA-N 2 0 311.539 2.598 20 0 DFADRP CCc1ccc(C[N@@H+]2CCC[C@@H](N3CCOCC3)CC2)cc1 ZINC000567627190 302374685 /nfs/dbraw/zinc/37/46/85/302374685.db2.gz GTQKNPRFMKJYGB-LJQANCHMSA-N 2 0 302.462 2.936 20 0 DFADRP [NH3+]CC1CCC([NH2+][C@H]2CC(=O)N(c3ccccc3Cl)C2)CC1 ZINC000567646043 302375756 /nfs/dbraw/zinc/37/57/56/302375756.db2.gz PNDBUTBYTMTYEO-RUXDESIVSA-N 2 0 321.852 2.552 20 0 DFADRP COCCCOc1cc(C)ccc1C[NH2+][C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000567642454 302376100 /nfs/dbraw/zinc/37/61/00/302376100.db2.gz DPTPXQBUICDPTN-IAGOWNOFSA-N 2 0 320.477 2.888 20 0 DFADRP C[C@@H]([NH2+]CC[C@@H]1CCC[NH2+]C1)c1ccc2c(c1)CCC(=O)N2 ZINC000568748962 302474536 /nfs/dbraw/zinc/47/45/36/302474536.db2.gz PVHLGYVOWIAXQV-KGLIPLIRSA-N 2 0 301.434 2.612 20 0 DFADRP C[C@H](CCCC[NH3+])[NH2+][C@@H](CO)c1ccc(C(F)(F)F)cc1 ZINC000569211920 302505284 /nfs/dbraw/zinc/50/52/84/302505284.db2.gz VLNNMBVXAQOBGM-RISCZKNCSA-N 2 0 304.356 2.846 20 0 DFADRP O=C([C@H]1CCCCC[NH2+]1)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000569608580 302528775 /nfs/dbraw/zinc/52/87/75/302528775.db2.gz KPAITGHMDSGPNO-ZWKOTPCHSA-N 2 0 321.509 2.633 20 0 DFADRP C[C@H]([NH2+][C@H]1CC(C)(C)Oc2ccc(N)cc21)[C@@H]1CCC[NH2+]C1 ZINC000569942420 302547865 /nfs/dbraw/zinc/54/78/65/302547865.db2.gz SXZKSAFBFQXCOR-ZENOOKHLSA-N 2 0 303.450 2.849 20 0 DFADRP CC(C)(CNC(=O)Nc1ccc2c(c1)C[NH2+]C2)C[NH+]1CCCC1 ZINC000570145947 302557898 /nfs/dbraw/zinc/55/78/98/302557898.db2.gz UVNPCZIYIGJOLV-UHFFFAOYSA-N 2 0 316.449 2.533 20 0 DFADRP [NH3+][C@H]1C[C@@H](C(=O)Nc2ccc(C[NH+]3CCCCCC3)cc2)C1 ZINC000570848227 302595432 /nfs/dbraw/zinc/59/54/32/302595432.db2.gz KZOTWBMXGINWID-IYBDPMFKSA-N 2 0 301.434 2.738 20 0 DFADRP COc1ccc([C@H](OC)[C@H](C)[NH2+][C@H](C)[C@H]2CCC[NH2+]C2)cc1 ZINC000571431471 302618182 /nfs/dbraw/zinc/61/81/82/302618182.db2.gz JGKHBXUEMVEIOZ-YQYZPQCESA-N 2 0 306.450 2.749 20 0 DFADRP Cc1c(Cl)cccc1NC(=O)CC[NH2+][C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000571669464 302627737 /nfs/dbraw/zinc/62/77/37/302627737.db2.gz NJTALCOGAWJGAD-ZIAGYGMSSA-N 2 0 323.868 2.955 20 0 DFADRP COc1ccccc1OCC[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1 ZINC000571669398 302627908 /nfs/dbraw/zinc/62/79/08/302627908.db2.gz LCZSHEVNKFFNPA-BRWVUGGUSA-N 2 0 318.461 2.974 20 0 DFADRP CC[NH2+]CCCNC1CC[NH+]([C@@H](C)Cc2ccccc2)CC1 ZINC000572510365 302667005 /nfs/dbraw/zinc/66/70/05/302667005.db2.gz AFIHUBSWQZZFKV-KRWDZBQOSA-N 2 0 303.494 2.671 20 0 DFADRP C[C@H]([NH2+]C[C@@H](c1ccccc1Cl)N(C)C)[C@@H]1CCC[NH2+]C1 ZINC000573830961 302726378 /nfs/dbraw/zinc/72/63/78/302726378.db2.gz GXFFMWJUANKMBR-VBQJREDUSA-N 2 0 309.885 2.920 20 0 DFADRP Cc1cccc(NC(=O)C[C@H](C)[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)c1 ZINC000574031714 302736750 /nfs/dbraw/zinc/73/67/50/302736750.db2.gz QQGRSINATPRQET-BVIKNXMNSA-N 2 0 315.461 2.690 20 0 DFADRP C[C@H]([NH2+][C@@H](CN1CC[NH+](C)CC1)c1ccccc1)[C@H]1CC1(C)C ZINC000574254767 302748642 /nfs/dbraw/zinc/74/86/42/302748642.db2.gz MSEREDBHKOLWKY-UHOSZYNNSA-N 2 0 315.505 2.999 20 0 DFADRP [NH3+]CCC1CC[NH+](Cc2ccc(OC[C@H]3CCCO3)cc2)CC1 ZINC000574403699 302757108 /nfs/dbraw/zinc/75/71/08/302757108.db2.gz GPQWXBLZIPRTDR-LJQANCHMSA-N 2 0 318.461 2.805 20 0 DFADRP O=C(C[NH2+]C1CC1)Nc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000178925118 315995743 /nfs/dbraw/zinc/99/57/43/315995743.db2.gz NFXRPGRZQSKKHZ-UHFFFAOYSA-N 2 0 301.434 2.753 20 0 DFADRP c1cn(CCC[NH+]2CCC(CCC[NH+]3CCCC3)CC2)cn1 ZINC000183059325 316128721 /nfs/dbraw/zinc/12/87/21/316128721.db2.gz FEVPWHSLBSZLCR-UHFFFAOYSA-N 2 0 304.482 2.861 20 0 DFADRP COc1cc([C@@H](C)[NH2+][C@@H](C)CCN2CC[NH+](C)CC2)ccc1F ZINC000186566446 316201959 /nfs/dbraw/zinc/20/19/59/316201959.db2.gz HDNWUIFNHDDELX-LSDHHAIUSA-N 2 0 323.456 2.511 20 0 DFADRP C[C@H]1CCCC[N@@H+]1CCCNC(=O)CC[C@H]([NH3+])c1ccccc1 ZINC000320443388 316253998 /nfs/dbraw/zinc/25/39/98/316253998.db2.gz CRCDEIDKHSHSKF-WMZOPIPTSA-N 2 0 317.477 2.847 20 0 DFADRP C[N@@H+]1CC[C@H](c2nc(-c3ccccc3C[NH+]3CCCC3)no2)C1 ZINC000349925229 316371342 /nfs/dbraw/zinc/37/13/42/316371342.db2.gz CACNRGSPQBEUSO-HNNXBMFYSA-N 2 0 312.417 2.752 20 0 DFADRP OC1CCC([NH2+]CC2CC[NH+](Cc3cccs3)CC2)CC1 ZINC000353521998 316531631 /nfs/dbraw/zinc/53/16/31/316531631.db2.gz RIACETDJFYXDPK-UHFFFAOYSA-N 2 0 308.491 2.853 20 0 DFADRP O[C@H]1C[NH2+]C[C@H]1C[NH2+]Cc1ccc(-c2ccc(Cl)cc2)s1 ZINC000414780583 316653257 /nfs/dbraw/zinc/65/32/57/316653257.db2.gz GXCKVGATCJMBPB-DOMZBBRYSA-N 2 0 322.861 2.738 20 0 DFADRP Clc1ccccc1CN1CCC([NH2+]C2CC[NH2+]CC2)CC1 ZINC000414786675 316656645 /nfs/dbraw/zinc/65/66/45/316656645.db2.gz XOZCXXADQMLJFU-UHFFFAOYSA-N 2 0 307.869 2.646 20 0 DFADRP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]Cc1ccc(F)c(Br)c1 ZINC000414797213 316661979 /nfs/dbraw/zinc/66/19/79/316661979.db2.gz OVDWKWSETMIEBH-GWCFXTLKSA-N 2 0 301.203 2.805 20 0 DFADRP CC[NH+]1CCC([NH2+]CC2(CO)CC(c3ccccc3)C2)CC1 ZINC000433092041 316874910 /nfs/dbraw/zinc/87/49/10/316874910.db2.gz PNQRWWKWSARWCI-UHFFFAOYSA-N 2 0 302.462 2.617 20 0 DFADRP CO[C@H](C)c1cccc(NC(=O)CCC[NH+]2CCC([NH3+])CC2)c1 ZINC000433115373 316878078 /nfs/dbraw/zinc/87/80/78/316878078.db2.gz JHEOOUIGORKBSO-CQSZACIVSA-N 2 0 319.449 2.536 20 0 DFADRP CCC[C@@H]1CCC[C@H]1[NH2+]Cc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000433143492 316880895 /nfs/dbraw/zinc/88/08/95/316880895.db2.gz HONBHSPOXBHKDF-QZTJIDSGSA-N 2 0 316.493 2.892 20 0 DFADRP CC(C)[C@H](C[NH3+])C(=O)NCc1ccccc1C[NH+]1CCCCC1 ZINC000433155940 316882955 /nfs/dbraw/zinc/88/29/55/316882955.db2.gz GSSUDQCKSWWWGJ-SFHVURJKSA-N 2 0 317.477 2.520 20 0 DFADRP CCOc1cc2[nH+]ccc(NC[C@H](C)[NH+](C)C)c2cc1OCC ZINC000443426704 316956423 /nfs/dbraw/zinc/95/64/23/316956423.db2.gz KTQQHNILYZMPKC-ZDUSSCGKSA-N 2 0 317.433 2.816 20 0 DFADRP CC(C)[C@H](C(=O)Nc1ccc2c(c1)C[NH2+]C2)[NH+]1CCCCC1 ZINC000449667384 317049550 /nfs/dbraw/zinc/04/95/50/317049550.db2.gz FRMRHFPOJJMQDZ-QGZVFWFLSA-N 2 0 301.434 2.739 20 0 DFADRP C[C@H](O)C[N@H+](C)C1CC[NH+](CC/C=C/c2ccccc2)CC1 ZINC000450376138 317087288 /nfs/dbraw/zinc/08/72/88/317087288.db2.gz ZTGPEJOMBZMOGC-BHMZLHOFSA-N 2 0 302.462 2.867 20 0 DFADRP C[N@H+](CCN1CC[C@H]2[C@@H](CCC[NH+]2C)C1)Cc1ccccc1 ZINC000450499283 317099292 /nfs/dbraw/zinc/09/92/92/317099292.db2.gz IYQPYLPEAQIUTK-OALUTQOASA-N 2 0 301.478 2.535 20 0 DFADRP C[C@H](c1ccccc1)[C@H](O)C[N@@H+]1CC[C@@H](Oc2ccncc2)C1 ZINC000450503446 317100672 /nfs/dbraw/zinc/10/06/72/317100672.db2.gz XPILOZQZZISAEN-ATZDWAIDSA-N 2 0 312.413 2.699 20 0 DFADRP CC1CC[NH+](C2CCC([NH2+][C@H]3CCn4ccnc43)CC2)CC1 ZINC000453167031 317168142 /nfs/dbraw/zinc/16/81/42/317168142.db2.gz IMADQXULXVWHBQ-JCYILVPMSA-N 2 0 302.466 2.961 20 0 DFADRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+]C1CCc2ccccc2CC1 ZINC000453202789 317168972 /nfs/dbraw/zinc/16/89/72/317168972.db2.gz UJKBJAFIHOYHRA-QGZVFWFLSA-N 2 0 315.505 2.550 20 0 DFADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC1=CCOCC1 ZINC000453287320 317175635 /nfs/dbraw/zinc/17/56/35/317175635.db2.gz KVGKVHINRPQYDX-VQIMIIECSA-N 2 0 300.446 2.833 20 0 DFADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@@H](O)C1CCC1 ZINC000453370078 317181408 /nfs/dbraw/zinc/18/14/08/317181408.db2.gz FKMVMLULXCJOBF-AYOQOUSVSA-N 2 0 302.462 2.648 20 0 DFADRP C[C@@H]1C[N@H+](C)C[C@H]1C(=O)N1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC000456705640 317244984 /nfs/dbraw/zinc/24/49/84/317244984.db2.gz IHAZKHGFVBRMFM-HZPDHXFCSA-N 2 0 323.525 2.543 20 0 DFADRP C[C@H]1C[N@H+](C)C[C@@H]1C(=O)N1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC000456705639 317245062 /nfs/dbraw/zinc/24/50/62/317245062.db2.gz IHAZKHGFVBRMFM-HOTGVXAUSA-N 2 0 323.525 2.543 20 0 DFADRP C[N@@H+]1CCC[C@@H](CCNC(=O)[C@@H]2CCCC[NH+]2C2CCCC2)C1 ZINC000458236533 317269608 /nfs/dbraw/zinc/26/96/08/317269608.db2.gz YJNXMWAYPQSZND-WMZOPIPTSA-N 2 0 321.509 2.632 20 0 DFADRP C[N@@H+]1CCC[C@H](CCNC(=O)[C@@H]2CCCC[NH+]2C2CCCC2)C1 ZINC000458236530 317269728 /nfs/dbraw/zinc/26/97/28/317269728.db2.gz YJNXMWAYPQSZND-AEFFLSMTSA-N 2 0 321.509 2.632 20 0 DFADRP C[C@H](C[NH2+]C1CCN(c2cc[nH+]cc2)CC1)N1CCCC[C@@H]1C ZINC000459364742 317321567 /nfs/dbraw/zinc/32/15/67/317321567.db2.gz AIBYFJUGZMFOKC-DLBZAZTESA-N 2 0 316.493 2.903 20 0 DFADRP CCO[C@@H]1C[C@@H]([NH2+]Cc2ccc(C[NH+](C)C)cc2)[C@@H]1SC ZINC000459380775 317325132 /nfs/dbraw/zinc/32/51/32/317325132.db2.gz QTXFTABXKYGSGQ-ZACQAIPSSA-N 2 0 308.491 2.747 20 0 DFADRP C[C@@H]1C[N@H+](CCC[NH2+]CCc2ccc(Cl)cc2)CCCO1 ZINC000459504928 317327258 /nfs/dbraw/zinc/32/72/58/317327258.db2.gz JCKLTWIOQUJJQB-OAHLLOKOSA-N 2 0 310.869 2.973 20 0 DFADRP CC[NH+]1CCN(CC(C)(C)[NH2+]CC2CCC(F)(F)CC2)CC1 ZINC000459509781 317327907 /nfs/dbraw/zinc/32/79/07/317327907.db2.gz LOHYTIJUAHDMHV-UHFFFAOYSA-N 2 0 317.468 2.818 20 0 DFADRP CC(C)C1CC([NH2+]CCCN2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000488414984 317390886 /nfs/dbraw/zinc/39/08/86/317390886.db2.gz HOGBTTVOHIURLR-UHFFFAOYSA-N 2 0 316.493 2.618 20 0 DFADRP CCN1CC[NH+](CCCC[NH2+][C@@H]2CS[C@@H](C(C)C)C2)CC1 ZINC000488430222 317392687 /nfs/dbraw/zinc/39/26/87/317392687.db2.gz JXEVPBLZTNBIIV-DLBZAZTESA-N 2 0 313.555 2.524 20 0 DFADRP C[C@H]1C[C@H](C[NH2+]CCC[NH+](C)C)CCN1C(=O)OC(C)(C)C ZINC000496089043 317669809 /nfs/dbraw/zinc/66/98/09/317669809.db2.gz AZYNXLWJKPSYFQ-LSDHHAIUSA-N 2 0 313.486 2.563 20 0 DFADRP Clc1ccc(C[NH+]2CCC(CO[C@@H]3CC[NH2+]C3)CC2)s1 ZINC000530239650 317778049 /nfs/dbraw/zinc/77/80/49/317778049.db2.gz HKSMACHKXNJMDE-CYBMUJFWSA-N 2 0 314.882 2.992 20 0 DFADRP Cc1c([C@H](C)[NH2+]CC2CC[NH2+]CC2)cnn1-c1ccc(F)cc1 ZINC000571394914 317983341 /nfs/dbraw/zinc/98/33/41/317983341.db2.gz XUUOSCQCWCXCBS-ZDUSSCGKSA-N 2 0 316.424 2.970 20 0 DFADRP CC(C)CC[NH+]1CCC(C[NH2+]C[C@H](O)Cc2ccccc2)CC1 ZINC000572751348 318002222 /nfs/dbraw/zinc/00/22/22/318002222.db2.gz FFJVGGWERVWSIG-HXUWFJFHSA-N 2 0 318.505 2.938 20 0 DFADRP COc1ccc(C(C)(C)C[NH2+][C@@H]2CCC[C@H]([NH3+])C2)cc1OC ZINC000573385702 318017498 /nfs/dbraw/zinc/01/74/98/318017498.db2.gz GJHOOHORHKVIEI-LSDHHAIUSA-N 2 0 306.450 2.841 20 0 DFADRP CC(C)[N@@H+]1CC[C@H](C[NH2+]Cc2ccc(-c3cnn(C)c3)s2)C1 ZINC000574544398 318023954 /nfs/dbraw/zinc/02/39/54/318023954.db2.gz PSMPPKNOELRQSA-CQSZACIVSA-N 2 0 318.490 2.969 20 0 DFADRP CC(C)(C[NH2+]CCC(=O)Nc1cccc(F)c1)C[NH+]1CCCC1 ZINC000574685834 318033306 /nfs/dbraw/zinc/03/33/06/318033306.db2.gz GMLDJEFBBYPXRO-UHFFFAOYSA-N 2 0 321.440 2.866 20 0 DFADRP C[NH+](C)CCCCC(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C ZINC000574771642 318040180 /nfs/dbraw/zinc/04/01/80/318040180.db2.gz DFOJCYFBNPSYLM-QGZVFWFLSA-N 2 0 303.450 2.906 20 0 DFADRP COc1ccc(C[C@H](C)C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3C2)cc1F ZINC000575059145 318060299 /nfs/dbraw/zinc/06/02/99/318060299.db2.gz HWVKVNPNJILHJN-BPUTZDHNSA-N 2 0 306.425 2.554 20 0 DFADRP Cc1cc(C)cc(NC(=O)[C@@H](C)[NH+]2CCC(CC[NH3+])CC2)c1 ZINC000575130017 318065733 /nfs/dbraw/zinc/06/57/33/318065733.db2.gz IELRPZSUDXUSBC-OAHLLOKOSA-N 2 0 303.450 2.691 20 0 DFADRP CC(C)c1[nH+]c(CN2CC[C@@H](C[NH+](C)C)C2)c2ccccn21 ZINC000575322144 318073453 /nfs/dbraw/zinc/07/34/53/318073453.db2.gz XUMANIOAUUFPHX-HNNXBMFYSA-N 2 0 300.450 2.841 20 0 DFADRP CC[C@H]1CCCC[N@@H+]1CCNC(=O)CC[C@H]([NH3+])c1ccccc1 ZINC000575398211 318075955 /nfs/dbraw/zinc/07/59/55/318075955.db2.gz APZMSZLZHSIRBW-ROUUACIJSA-N 2 0 317.477 2.847 20 0 DFADRP Fc1ccc(OCCC[NH+]2CCC([C@@H]3CC[NH2+]C3)CC2)cc1 ZINC000575401971 318076289 /nfs/dbraw/zinc/07/62/89/318076289.db2.gz XCZSGTHNFBCKIL-MRXNPFEDSA-N 2 0 306.425 2.916 20 0 DFADRP CC(C)[NH+](CCC[NH2+]CCC(=O)Nc1cccnc1)C(C)C ZINC000575742260 318079978 /nfs/dbraw/zinc/07/99/78/318079978.db2.gz BHKWSRRBACTLSL-UHFFFAOYSA-N 2 0 306.454 2.509 20 0 DFADRP CC(C)[C@H]([NH2+]CCOCC[NH+](C)C)c1ccc(F)c(F)c1 ZINC000575867768 318088238 /nfs/dbraw/zinc/08/82/38/318088238.db2.gz ZPOYAEUKFXTQOC-INIZCTEOSA-N 2 0 300.393 2.830 20 0 DFADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCC[NH2+]C[C@@H](O)Cc2ccccc2)C1 ZINC000576457223 318127438 /nfs/dbraw/zinc/12/74/38/318127438.db2.gz AVUYPYQOXMLQAO-NSHGMRRFSA-N 2 0 318.505 2.938 20 0 DFADRP C[C@@H]([NH3+])CCC(=O)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000576460905 318127807 /nfs/dbraw/zinc/12/78/07/318127807.db2.gz IAOQJRZVDSMIGC-CZUORRHYSA-N 2 0 323.868 2.721 20 0 DFADRP COC[C@H]1CCCC[NH+]1CCCC[N@H+]1CCCC[C@@H]1COC ZINC000576702529 318144012 /nfs/dbraw/zinc/14/40/12/318144012.db2.gz DCKVCHXMADPNAD-QZTJIDSGSA-N 2 0 312.498 2.768 20 0 DFADRP C[C@@H]([NH2+][C@H](CN1CC[NH+](C)CC1)c1ccccc1)[C@H]1C[C@H]1C ZINC000577042630 318167379 /nfs/dbraw/zinc/16/73/79/318167379.db2.gz ZVLLSVXXPYTVSO-ZAWLATJESA-N 2 0 301.478 2.609 20 0 DFADRP C[NH+](C)CC[C@@H]([NH2+]C[C@H](O)Cc1ccc(F)cc1)C(C)(C)C ZINC000577054818 318168096 /nfs/dbraw/zinc/16/80/96/318168096.db2.gz FGBZGAQCSLOTCI-IAGOWNOFSA-N 2 0 310.457 2.685 20 0 DFADRP CSC1(C[NH2+]C[C@H](O)[C@H](C)c2ccccc2)CC[NH+](C)CC1 ZINC000577056744 318168444 /nfs/dbraw/zinc/16/84/44/318168444.db2.gz RNPUHQACSABSGW-WBVHZDCISA-N 2 0 322.518 2.568 20 0 DFADRP C[C@H](NC(=O)[C@H](C)N1CCC[C@H](C[NH3+])C1)c1ccc(Cl)cc1 ZINC000577280759 318182876 /nfs/dbraw/zinc/18/28/76/318182876.db2.gz MPIQHISIULJPQR-MELADBBJSA-N 2 0 323.868 2.576 20 0 DFADRP C[C@@H]1C[C@@H](C[NH2+]Cc2ccc(OCC(F)(F)F)nc2)CC[NH2+]1 ZINC000577363526 318187993 /nfs/dbraw/zinc/18/79/93/318187993.db2.gz OUMYYSXNXMZFQA-NEPJUHHUSA-N 2 0 317.355 2.500 20 0 DFADRP [NH3+][C@@H]1CCC[C@H]([NH2+]Cc2ccc(COC3CCOCC3)cc2)C1 ZINC000577527779 318199638 /nfs/dbraw/zinc/19/96/38/318199638.db2.gz BYYJVPKLLIQUKP-MSOLQXFVSA-N 2 0 318.461 2.742 20 0 DFADRP CCOc1cc2[nH+]ccc(N(C)CCC[NH3+])c2cc1OCC ZINC000577608651 318205039 /nfs/dbraw/zinc/20/50/39/318205039.db2.gz RAFQKMJRVZZWOD-UHFFFAOYSA-N 2 0 303.406 2.817 20 0 DFADRP C[C@H]([NH2+]C[C@H](O)Cc1ccc2ccccc2c1)C1=CC[N@H+](C)CC1 ZINC000577948574 318227712 /nfs/dbraw/zinc/22/77/12/318227712.db2.gz NZPFGQKFTWLOIM-HRAATJIYSA-N 2 0 324.468 2.983 20 0 DFADRP C[C@@H]1C[C@@H]([NH2+][C@@H]2CC3(CC[NH+](C)CC3)Oc3ccccc32)CO1 ZINC000577952259 318227970 /nfs/dbraw/zinc/22/79/70/318227970.db2.gz ARLHVITXOHGEMY-BFYDXBDKSA-N 2 0 316.445 2.742 20 0 DFADRP C[NH2+]CCCC(=O)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000578008486 318231612 /nfs/dbraw/zinc/23/16/12/318231612.db2.gz FDEJUXWQIRTWMO-MRXNPFEDSA-N 2 0 323.868 2.593 20 0 DFADRP Cn1cc([C@H]2C[N@H+](CC[C@H]3CCCC[NH+]3C)CC2(C)C)cn1 ZINC000578079727 318236330 /nfs/dbraw/zinc/23/63/30/318236330.db2.gz BKJIHPKPSAVMDF-IAGOWNOFSA-N 2 0 304.482 2.720 20 0 DFADRP Cn1ccc([C@H]([NH2+]C[C@H]2CCC[C@@H]([NH3+])C2)c2ccc(F)cc2)n1 ZINC000578231459 318246969 /nfs/dbraw/zinc/24/69/69/318246969.db2.gz ZJCXRPQWAZEUJC-FDQGKXFDSA-N 2 0 316.424 2.756 20 0 DFADRP C[C@@H]1CN(C)CC[C@H]1[N@H+](C)Cc1cc(-n2ccnc2)cs1 ZINC000578263974 318249070 /nfs/dbraw/zinc/24/90/70/318249070.db2.gz CABNNNNKYBSXJS-CZUORRHYSA-N 2 0 304.463 2.706 20 0 DFADRP C[C@H]([NH2+]CC1(c2ccc(F)cc2)CCOCC1)[C@H]1CCC[NH2+]C1 ZINC000578314059 318251907 /nfs/dbraw/zinc/25/19/07/318251907.db2.gz WZNFWCGAIRTHJS-HOTGVXAUSA-N 2 0 320.452 2.852 20 0 DFADRP Cc1cccc(NC[C@@H]2CC[N@H+](C[C@H]3CCCC[C@@H]3O)C2)n1 ZINC000578421315 318259387 /nfs/dbraw/zinc/25/93/87/318259387.db2.gz KWYQRJWUVPIEKO-BBWFWOEESA-N 2 0 303.450 2.675 20 0 DFADRP C[C@@H]([NH2+]CCCC[NH+](C)C)c1cncc(Br)c1 ZINC000578909791 318294861 /nfs/dbraw/zinc/29/48/61/318294861.db2.gz MNGSBZUWYZNURR-LLVKDONJSA-N 2 0 300.244 2.837 20 0 DFADRP [NH3+][C@H](CCC(=O)N1CC[C@@]2(C1)CCC[NH2+]C2)CC1CCCCC1 ZINC000579101298 318306969 /nfs/dbraw/zinc/30/69/69/318306969.db2.gz CVMHJXBHRCBSPV-MJGOQNOKSA-N 2 0 321.509 2.666 20 0 DFADRP C[C@H]([NH2+]CC1CC[NH2+]CC1)c1ncc(Br)cc1F ZINC000579108253 318307531 /nfs/dbraw/zinc/30/75/31/318307531.db2.gz LGZQKHMKWKPVOG-VIFPVBQESA-N 2 0 316.218 2.633 20 0 DFADRP CC(C)C[C@@H]([NH3+])CN1CC[C@H]([N@H+](C)CCc2ccccc2)C1 ZINC000579377317 318327511 /nfs/dbraw/zinc/32/75/11/318327511.db2.gz MNOFNPBTEZYBBO-MOPGFXCFSA-N 2 0 303.494 2.609 20 0 DFADRP C[C@H](NC[C@H]1CC[N@H+](CCc2ccccc2)C1)[C@H]1CCC[NH2+]C1 ZINC000579822501 318356481 /nfs/dbraw/zinc/35/64/81/318356481.db2.gz WOHPTWIYGBCDEL-SXLOBPIMSA-N 2 0 315.505 2.529 20 0 DFADRP CCc1noc(C2CCC([NH2+]CCC3=CC[NH2+]CC3)CC2)n1 ZINC000580062578 318372111 /nfs/dbraw/zinc/37/21/11/318372111.db2.gz BDNNYXPLJHDAIP-UHFFFAOYSA-N 2 0 304.438 2.558 20 0 DFADRP C[C@H]([NH3+])C[C@H](C)NC(=O)C1(C)CC[NH+](Cc2ccccc2)CC1 ZINC000580198774 318382775 /nfs/dbraw/zinc/38/27/75/318382775.db2.gz PLTFRPMWNWKWOZ-HOTGVXAUSA-N 2 0 317.477 2.531 20 0 DFADRP CCOC(=O)[C@@]1(C(C)C)CC[N@H+](CCC[NH+]2CCCCC2)C1 ZINC000194876507 323274385 /nfs/dbraw/zinc/27/43/85/323274385.db2.gz XIHZKRQTZQUJRA-SFHVURJKSA-N 2 0 310.482 2.774 20 0 DFADRP C[C@@H]1C[C@@H](NC[C@@H]2CCC[NH+](C)C2)CC[N@@H+]1Cc1ccccc1 ZINC000379631636 323289649 /nfs/dbraw/zinc/28/96/49/323289649.db2.gz RQDASHMIJYBOOV-HOJAQTOUSA-N 2 0 315.505 2.971 20 0 DFADRP C[C@@H](CCNC(=O)[C@@H]1CCCCC[NH2+]1)[N@H+](C)Cc1ccccc1 ZINC000379681799 323291038 /nfs/dbraw/zinc/29/10/38/323291038.db2.gz TVHXUZOBLGGXAD-WMZOPIPTSA-N 2 0 317.477 2.545 20 0 DFADRP CC(C)[NH+]1CCC([NH2+][C@@H](C)[C@H](C)NC(=O)OC(C)(C)C)CC1 ZINC000381001171 323292786 /nfs/dbraw/zinc/29/27/86/323292786.db2.gz OOAOHPGKXJBIKP-KBPBESRZSA-N 2 0 313.486 2.751 20 0 DFADRP CCOC[C@H](C)[NH2+][C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000381784844 323295669 /nfs/dbraw/zinc/29/56/69/323295669.db2.gz HDJWJYCCVOSJKY-DSLXNQLJSA-N 2 0 302.462 2.912 20 0 DFADRP CC(C)(C)OC(=O)NC(C)(C)C[NH2+]CCC[NH+]1CCCCC1 ZINC000381988446 323296360 /nfs/dbraw/zinc/29/63/60/323296360.db2.gz OMGRNOVDGJATPU-UHFFFAOYSA-N 2 0 313.486 2.755 20 0 DFADRP C[C@H]1CN(Cc2ccccc2)CCC[N@@H+]1CCC1CC[NH2+]CC1 ZINC000382696734 323301444 /nfs/dbraw/zinc/30/14/44/323301444.db2.gz KGISQUZQDZSYOR-SFHVURJKSA-N 2 0 315.505 2.973 20 0 DFADRP C[C@@H]1CN(Cc2ccccc2)CCC[N@@H+]1CC[C@@H]1CC[NH2+]C1 ZINC000382719072 323301565 /nfs/dbraw/zinc/30/15/65/323301565.db2.gz JSBZYTIQIUDRJM-MSOLQXFVSA-N 2 0 301.478 2.582 20 0 DFADRP C[C@@H]1CC[N@H+](CC[C@H]2CC[NH2+]C2)CCN1Cc1ccccc1 ZINC000382736918 323302535 /nfs/dbraw/zinc/30/25/35/323302535.db2.gz JGGCDXSMXHREOP-QZTJIDSGSA-N 2 0 301.478 2.582 20 0 DFADRP C[C@H]1C[N@H+](C)CC[C@@H]1[NH2+]CCc1ccc(Br)s1 ZINC000382840929 323302625 /nfs/dbraw/zinc/30/26/25/323302625.db2.gz UNCCBWVUBLPJNY-JQWIXIFHSA-N 2 0 317.296 2.983 20 0 DFADRP CC[NH+]1CCC(N2CCC[N@H+](Cc3ccccc3)CC2)CC1 ZINC000383956690 323305647 /nfs/dbraw/zinc/30/56/47/323305647.db2.gz BNPGPGBCQVUIPD-UHFFFAOYSA-N 2 0 301.478 2.679 20 0 DFADRP C[C@H](NC1CC[NH+](Cc2ccccc2)CC1)[C@@H]1CCCC[NH2+]1 ZINC000386534704 323318692 /nfs/dbraw/zinc/31/86/92/323318692.db2.gz BLCOHHLRFVAFPG-LPHOPBHVSA-N 2 0 301.478 2.771 20 0 DFADRP C[NH2+][C@@H](CC(C)(C)C)C(=O)Nc1cccc(OCC[NH+](C)C)c1 ZINC000387611316 323326432 /nfs/dbraw/zinc/32/64/32/323326432.db2.gz YUJWNXPMLXPABT-INIZCTEOSA-N 2 0 321.465 2.590 20 0 DFADRP CC(C)CN(CC[NH+](C)C)C(=O)CC[C@H]([NH3+])c1ccccc1 ZINC000387784803 323327322 /nfs/dbraw/zinc/32/73/22/323327322.db2.gz JJHYXEFAXVYKJZ-KRWDZBQOSA-N 2 0 305.466 2.513 20 0 DFADRP C[C@@H]([NH2+]CC1(O)CC[NH+](C)CC1)c1ccc(Cl)c(F)c1 ZINC000397648169 323355580 /nfs/dbraw/zinc/35/55/80/323355580.db2.gz VXGZCKVQAXETOP-LLVKDONJSA-N 2 0 300.805 2.586 20 0 DFADRP OCCN1CCCC[C@H]1C[NH2+][C@@H]1CCc2c1cccc2Cl ZINC000580284788 323364004 /nfs/dbraw/zinc/36/40/04/323364004.db2.gz AYXFTEPBQLCJSX-SUMWQHHRSA-N 2 0 308.853 2.764 20 0 DFADRP Cc1noc(C[C@H]([NH2+][C@H]2CCC[C@H]([NH3+])C2)c2ccccc2)n1 ZINC000580450286 323387872 /nfs/dbraw/zinc/38/78/72/323387872.db2.gz HGLXMHJLOTUCQK-JYJNAYRXSA-N 2 0 300.406 2.521 20 0 DFADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]C1(C(=O)Nc2ccccc2)CC1 ZINC000580946529 323454591 /nfs/dbraw/zinc/45/45/91/323454591.db2.gz KYAYGGPGTATQSP-CQSZACIVSA-N 2 0 324.428 2.671 20 0 DFADRP [NH3+]C1C[C@H]2CCC[C@@H](C1)C2[NH2+]Cc1cccc2c1OCCCO2 ZINC000581535977 323536803 /nfs/dbraw/zinc/53/68/03/323536803.db2.gz HJHDVUUCXXYDAG-BDQJQXKSSA-N 2 0 316.445 2.844 20 0 DFADRP O=C([C@@H]1CCCCC[NH2+]1)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000584114324 331832968 /nfs/dbraw/zinc/83/29/68/331832968.db2.gz YJBSFWKRCBJGIN-SFHVURJKSA-N 2 0 321.509 2.633 20 0 DFADRP C[C@@H](O)[C@H](C)[NH2+]CC1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000584286795 332213545 /nfs/dbraw/zinc/21/35/45/332213545.db2.gz IAHDGAMUCICTCG-UONOGXRCSA-N 2 0 310.869 2.911 20 0 DFADRP C[C@@H]([NH2+]CC1(N)CC[NH+](Cc2ccccc2)CC1)c1ccoc1 ZINC000584584990 337368903 /nfs/dbraw/zinc/36/89/03/337368903.db2.gz ZEXDIBGZQVHDKA-MRXNPFEDSA-N 2 0 313.445 2.924 20 0 DFADRP O=C(C[C@H]1CCC[NH2+]C1)Nc1cccc(CC[NH+]2CCCC2)c1 ZINC000568411242 501046942 /nfs/dbraw/zinc/04/69/42/501046942.db2.gz KYXVYOAPGHESIL-QGZVFWFLSA-N 2 0 315.461 2.653 20 0 DFADRP C[C@@H]1C[C@H]([NH2+]Cc2ccc(OC3CC[NH+](C)CC3)cc2)[C@@H](C)O1 ZINC000296736597 533955054 /nfs/dbraw/zinc/95/50/54/533955054.db2.gz JTRUAEJKHZNXTF-CLCXKQKWSA-N 2 0 318.461 2.815 20 0 DFADRP C/C(=C\c1ccccc1)C[NH2+][C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000364205473 518447448 /nfs/dbraw/zinc/44/74/48/518447448.db2.gz GZYCRFJZRMVDEL-DQSGYLJSSA-N 2 0 313.489 2.848 20 0 DFADRP CC1CCC([NH+]2CCC(N(C)C(=O)[C@@H]([NH3+])C(C)(C)C)CC2)CC1 ZINC000366323397 520939710 /nfs/dbraw/zinc/93/97/10/520939710.db2.gz LPEBMSGMDLVWAD-BDVYOWHSSA-N 2 0 323.525 2.861 20 0 DFADRP CCC[NH+](CCC)CCCC(=O)N1CC[C@]2(CCC[C@@H]2[NH3+])C1 ZINC000364180847 521643861 /nfs/dbraw/zinc/64/38/61/521643861.db2.gz COMYCTKNYQASJG-FUHWJXTLSA-N 2 0 309.498 2.619 20 0 DFADRP CCc1nn(C)c(CC)c1C[NH2+]CCCCC[NH+]1CCCC1 ZINC000339496876 522658569 /nfs/dbraw/zinc/65/85/69/522658569.db2.gz FPNMWMYKZPOTBP-UHFFFAOYSA-N 2 0 306.498 2.901 20 0 DFADRP Cc1[nH+]c2ccccc2c(N[C@H](C)C[NH+]2CCN(C)CC2)c1C ZINC000302104672 534671254 /nfs/dbraw/zinc/67/12/54/534671254.db2.gz WXOZDQXGFNCCFN-CQSZACIVSA-N 2 0 312.461 2.899 20 0 DFADRP C[N@@H+]1CCC[C@@H](CNC(=O)CCC[NH3+])[C@H]1c1cccc(Cl)c1 ZINC000364848651 523811919 /nfs/dbraw/zinc/81/19/19/523811919.db2.gz BOKSBQBMNJQLNC-WMLDXEAASA-N 2 0 323.868 2.578 20 0 DFADRP C[N@@H+]1CC[C@H]([NH2+]Cc2ccc(N3CCCC3)nc2)[C@@H]2CCC[C@H]21 ZINC000367614688 523989126 /nfs/dbraw/zinc/98/91/26/523989126.db2.gz IUQWOHRZBXVVSU-OKZBNKHCSA-N 2 0 314.477 2.644 20 0 DFADRP C[C@H]1C[N@H+](C)CC[C@@H]1[NH2+]Cc1cc(N(C)C)nc2ccccc12 ZINC000154467457 524558784 /nfs/dbraw/zinc/55/87/84/524558784.db2.gz IROBPROVBZZVTM-YOEHRIQHSA-N 2 0 312.461 2.731 20 0 DFADRP C[C@@H]1C[N@H+](C[C@H]2CCCO2)CC[C@@H]1[NH2+]CCCC1CCOCC1 ZINC000368492628 524977315 /nfs/dbraw/zinc/97/73/15/524977315.db2.gz CYUADWLVFJYELE-QRQLOZEOSA-N 2 0 324.509 2.672 20 0 DFADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC1(CO)CCC1 ZINC000363821955 525006817 /nfs/dbraw/zinc/00/68/17/525006817.db2.gz MMMHNEVPRCPDSI-AEFFLSMTSA-N 2 0 302.462 2.649 20 0 DFADRP Cc1ccsc1C[N@@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000354025401 525845211 /nfs/dbraw/zinc/84/52/11/525845211.db2.gz CYQYTDLPOZCZBW-HZPDHXFCSA-N 2 0 307.507 2.514 20 0 DFADRP Cc1nn(C)c(C)c1C[NH+]1CCC(C[NH+]2CCC(C)CC2)CC1 ZINC000364056491 527628929 /nfs/dbraw/zinc/62/89/29/527628929.db2.gz RNJJXHFUHCKNGM-UHFFFAOYSA-N 2 0 318.509 2.981 20 0 DFADRP O[C@@H](CCc1ccccc1)C[NH2+]C1CC[NH+](C2CCCC2)CC1 ZINC000364955217 527646178 /nfs/dbraw/zinc/64/61/78/527646178.db2.gz LYXYMFPZQSNNNV-FQEVSTJZSA-N 2 0 316.489 2.977 20 0 DFADRP CCOC(=O)c1cc(C[NH2+]CCCCC[NH+]2CCCC2)[nH]c1C ZINC000295928020 528168231 /nfs/dbraw/zinc/16/82/31/528168231.db2.gz FMDZPBJTOGKWDI-UHFFFAOYSA-N 2 0 321.465 2.856 20 0 DFADRP CCOc1cc(C[N@@H+]2CC[C@@H](C3CC[NH+](C)CC3)C2)ccc1O ZINC000298159825 528265906 /nfs/dbraw/zinc/26/59/06/528265906.db2.gz SJMKJHCFKNFTDR-QGZVFWFLSA-N 2 0 318.461 2.955 20 0 DFADRP CCCC[N@H+](C)CC1CC[NH+](C[C@@H](O)c2cccnc2)CC1 ZINC000295573800 528338484 /nfs/dbraw/zinc/33/84/84/528338484.db2.gz RJRHLIUQYXNSNE-GOSISDBHSA-N 2 0 305.466 2.559 20 0 DFADRP CCCC[C@H]([NH3+])C(=O)N[C@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000309749465 528970747 /nfs/dbraw/zinc/97/07/47/528970747.db2.gz YZHMLDBARHFWCA-NXHRZFHOSA-N 2 0 317.477 2.531 20 0 DFADRP CC[NH+]1CCC(NC[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000309743481 528986901 /nfs/dbraw/zinc/98/69/01/528986901.db2.gz SROGRJACRRXBFL-SFHVURJKSA-N 2 0 301.478 2.582 20 0 DFADRP CC[C@@H](O)C[NH+]1CCN(c2c(C)c(C)[nH+]c3ccccc32)CC1 ZINC000302101125 529229396 /nfs/dbraw/zinc/22/93/96/529229396.db2.gz VBLNNRCWPGJDHN-MRXNPFEDSA-N 2 0 313.445 2.745 20 0 DFADRP CCCC[C@H]([NH3+])C(=O)NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000236805330 535044376 /nfs/dbraw/zinc/04/43/76/535044376.db2.gz QIPRJNGYRPPHSZ-UONOGXRCSA-N 2 0 309.479 2.519 20 0 DFADRP CC(C)[NH+]1CCC(N(C)C(=O)[C@@H]([NH3+])CC2CCCCC2)CC1 ZINC000262515320 535150552 /nfs/dbraw/zinc/15/05/52/535150552.db2.gz NJZCTPBSGBARIK-KRWDZBQOSA-N 2 0 309.498 2.615 20 0 DFADRP CCCOc1ccc([C@@H](C)[NH2+]CC2(O)CC[NH+](C)CC2)cc1 ZINC000361891533 535281432 /nfs/dbraw/zinc/28/14/32/535281432.db2.gz XOAZWMCQUJPFGJ-OAHLLOKOSA-N 2 0 306.450 2.583 20 0 DFADRP CC[NH2+]CC1CC[NH+](CC(=O)N(c2ccccc2)C(C)C)CC1 ZINC000261635986 535457648 /nfs/dbraw/zinc/45/76/48/535457648.db2.gz CNKPIFTZIXZKGP-UHFFFAOYSA-N 2 0 317.477 2.750 20 0 DFADRP CCC[C@@](C)([NH3+])C(=O)NC[C@@H](Cc1ccccc1)[NH+](CC)CC ZINC000262136645 535528765 /nfs/dbraw/zinc/52/87/65/535528765.db2.gz OASODSNIUYLWAR-IEBWSBKVSA-N 2 0 319.493 2.573 20 0 DFADRP CC[NH+](CC)[C@H](CNC(=O)[C@@H]1C[C@@H](C)CC[NH2+]1)c1ccccc1 ZINC000261914408 535674316 /nfs/dbraw/zinc/67/43/16/535674316.db2.gz QPCTYBXYNWKMQD-RYQLBKOJSA-N 2 0 317.477 2.574 20 0 DFADRP C[NH+](C)CCN1CCC([NH2+]Cc2ccsc2Cl)CC1 ZINC000359950887 535872280 /nfs/dbraw/zinc/87/22/80/535872280.db2.gz WEKMMTIYRQSRQT-UHFFFAOYSA-N 2 0 301.887 2.517 20 0 DFADRP C[NH+](C)Cc1ccc(-c2noc([C@@H]3CC34CC[NH2+]CC4)n2)cc1 ZINC000261619026 535993604 /nfs/dbraw/zinc/99/36/04/535993604.db2.gz BQLZNKFHMZAXOD-HNNXBMFYSA-N 2 0 312.417 2.655 20 0 DFADRP C[NH+](C)Cc1ccccc1C(=O)NCC[N@H+](C)C1CCCCC1 ZINC000362640239 536043863 /nfs/dbraw/zinc/04/38/63/536043863.db2.gz ZZPVOFASEXCBOI-UHFFFAOYSA-N 2 0 317.477 2.743 20 0 DFADRP COc1cc(C[N@@H+]2CCC[C@H]([C@H](C)[NH3+])C2)ccc1OC(F)F ZINC000261962964 536757134 /nfs/dbraw/zinc/75/71/34/536757134.db2.gz PBHHXFOXTXYXCJ-AAEUAGOBSA-N 2 0 314.376 2.856 20 0 DFADRP Cc1ccc2[nH+]ccc(N3CCN([C@@H]4CCC[N@@H+](C)C4)CC3)c2c1 ZINC000680623618 545520467 /nfs/dbraw/zinc/52/04/67/545520467.db2.gz ZAYHDGGXNWEJOV-QGZVFWFLSA-N 2 0 324.472 2.759 20 0 DFADRP CC[C@]1(C)COCC[N@@H+]1Cc1ccc(OCC[NH+](C)C)cc1 ZINC000681490914 545653370 /nfs/dbraw/zinc/65/33/70/545653370.db2.gz FEOWYXHEZCVZAD-GOSISDBHSA-N 2 0 306.450 2.628 20 0 DFADRP C[N@@H+]1CCCC[C@H]1CN1CC[NH+]([C@@H]2CCc3ccccc32)CC1 ZINC000682076606 545790609 /nfs/dbraw/zinc/79/06/09/545790609.db2.gz XPDFFBOGTLNUTK-AZUAARDMSA-N 2 0 313.489 2.776 20 0 DFADRP C[C@@H]([NH2+]CCCC[NH+]1CCN(C)CC1)C1CCC(F)(F)CC1 ZINC000682732798 545907061 /nfs/dbraw/zinc/90/70/61/545907061.db2.gz QIZJXGUZKWFIDS-OAHLLOKOSA-N 2 0 317.468 2.818 20 0 DFADRP C[C@@H](O)[C@](C)(C[NH2+][C@@H](C)C1CC[NH+](C)CC1)Cc1ccccc1 ZINC000682914393 545939922 /nfs/dbraw/zinc/93/99/22/545939922.db2.gz NGODDPKPLPZARR-QKLQHJQFSA-N 2 0 318.505 2.936 20 0 DFADRP CC(C)n1ncc2c1C[C@H]([NH2+][C@H](C)C1CC[NH+](C)CC1)CC2 ZINC000682912697 545939990 /nfs/dbraw/zinc/93/99/90/545939990.db2.gz UJNDFDFHUIIKDY-RHSMWYFYSA-N 2 0 304.482 2.641 20 0 DFADRP CCC[C@]1(CO)CCC[N@@H+]1Cc1ccc(OCC[NH+](C)C)cc1 ZINC000683722403 546081976 /nfs/dbraw/zinc/08/19/76/546081976.db2.gz OPXMYUMUJCGALR-LJQANCHMSA-N 2 0 320.477 2.754 20 0 DFADRP Oc1ccc2c(c1)CC[C@H]([NH2+]C1CC[NH+](CC3CC3)CC1)C2 ZINC000683722297 546082067 /nfs/dbraw/zinc/08/20/67/546082067.db2.gz DBGKOIUQYDXQIN-SFHVURJKSA-N 2 0 300.446 2.714 20 0 DFADRP COCCC[NH+]1CCC([NH2+]Cc2ccc3cnccc3c2)CC1 ZINC000683769848 546090925 /nfs/dbraw/zinc/09/09/25/546090925.db2.gz OBGSBLSJNMAEOG-UHFFFAOYSA-N 2 0 313.445 2.825 20 0 DFADRP C[NH+]1CCN(c2cc[nH+]cc2NCc2cc3ccccc3[nH]2)CC1 ZINC000683928472 546122050 /nfs/dbraw/zinc/12/20/50/546122050.db2.gz PNILYYOGDICZSQ-UHFFFAOYSA-N 2 0 321.428 2.927 20 0 DFADRP C[NH+](C)[C@@]1(CNc2cc[nH+]c3c(O)cccc23)CCSC1 ZINC000684576148 546246565 /nfs/dbraw/zinc/24/65/65/546246565.db2.gz HPSAMWVWFXXASV-MRXNPFEDSA-N 2 0 303.431 2.790 20 0 DFADRP CN(CCC[N@H+](C)Cc1coc2ccccc12)CC[NH+](C)C ZINC000685475808 546358742 /nfs/dbraw/zinc/35/87/42/546358742.db2.gz IGALJIKUYDRCJV-UHFFFAOYSA-N 2 0 303.450 2.748 20 0 DFADRP COCC[C@H](COC)[NH2+][C@@H]1CN(Cc2ccccc2)C(C)(C)C1 ZINC000685664053 546383449 /nfs/dbraw/zinc/38/34/49/546383449.db2.gz AXHGWVLWCBDUOB-MSOLQXFVSA-N 2 0 320.477 2.681 20 0 DFADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]C[C@H](O)c1cc(F)cc(Cl)c1 ZINC000278390457 214135832 /nfs/dbraw/zinc/13/58/32/214135832.db2.gz AHMGRQJJILGPTL-XYPYXGAPSA-N 2 0 314.832 2.831 20 0 DFADRP C[NH+](C)Cc1cccc(C[NH2+]CCCNC(=O)OC(C)(C)C)c1 ZINC000278499364 214193607 /nfs/dbraw/zinc/19/36/07/214193607.db2.gz NGTFFXGRQUCSSO-UHFFFAOYSA-N 2 0 321.465 2.753 20 0 DFADRP C[N@H+](CCN1CC[C@H](C[NH+]2CCCC2)C1)Cc1ccccc1 ZINC000278514157 214204428 /nfs/dbraw/zinc/20/44/28/214204428.db2.gz BTCLZQPJOXZLJF-LJQANCHMSA-N 2 0 301.478 2.536 20 0 DFADRP Cc1nc(F)ccc1C[NH2+]Cc1ccccc1OCC[NH+](C)C ZINC000278554845 214233668 /nfs/dbraw/zinc/23/36/68/214233668.db2.gz VMERGRROFQDVEJ-UHFFFAOYSA-N 2 0 317.408 2.759 20 0 DFADRP CCC[N@H+](C)C[C@H]1CCN(CC[NH+](C)Cc2ccccc2)C1 ZINC000278686004 214325045 /nfs/dbraw/zinc/32/50/45/214325045.db2.gz RZTIVAKDRKXVDE-LJQANCHMSA-N 2 0 303.494 2.782 20 0 DFADRP c1coc([C@H](CNC2CC[NH+](C3CC3)CC2)[NH+]2CCCC2)c1 ZINC000320109699 231190404 /nfs/dbraw/zinc/19/04/04/231190404.db2.gz GJVHYVKJPGLSJL-KRWDZBQOSA-N 2 0 303.450 2.633 20 0 DFADRP CCc1c(C)[nH+]c2ccccc2c1N1CC[NH+](CCCO)CC1 ZINC000302026344 529491538 /nfs/dbraw/zinc/49/15/38/529491538.db2.gz IDCNJNBYPUOVHZ-UHFFFAOYSA-N 2 0 313.445 2.610 20 0 DFADRP c1cc(C[NH+]2CCCCCC2)ccc1CNC1=[NH+]CCCN1 ZINC000066243758 398364122 /nfs/dbraw/zinc/36/41/22/398364122.db2.gz NVJOLRCBIJMHJO-UHFFFAOYSA-N 2 0 300.450 2.502 20 0 DFADRP CCOc1cccc(C[NH2+]C[C@H]2CCCN2C)c1OC(F)F ZINC000236942926 398365299 /nfs/dbraw/zinc/36/52/99/398365299.db2.gz BVCWQFNLDKWAHS-CYBMUJFWSA-N 2 0 314.376 2.871 20 0 DFADRP CC[NH+](CC)CCC[C@@H](C)[NH2+]Cc1cnc2c(c1)c(C)nn2C ZINC000236857431 398364410 /nfs/dbraw/zinc/36/44/10/398364410.db2.gz PMKBSGRYYLJUTD-CQSZACIVSA-N 2 0 317.481 2.877 20 0 DFADRP CCC[NH+]1CCC(CNC(=O)CC[C@@H]([NH3+])c2ccccc2)CC1 ZINC000236770033 398364509 /nfs/dbraw/zinc/36/45/09/398364509.db2.gz AROHAOCFDKZWFL-GOSISDBHSA-N 2 0 317.477 2.705 20 0 DFADRP CC(C)C[C@@H]([NH3+])C(=O)Nc1cccc(C[NH+]2CCCCC2)c1 ZINC000236749048 398364637 /nfs/dbraw/zinc/36/46/37/398364637.db2.gz JTWJMMXRAZURIF-QGZVFWFLSA-N 2 0 303.450 2.984 20 0 DFADRP C[C@@H](CNC(=O)CC[C@@H]([NH3+])c1ccccc1)[NH+]1CCC(C)CC1 ZINC000236716295 398363385 /nfs/dbraw/zinc/36/33/85/398363385.db2.gz NKRLYOJUQXHWRD-FUHWJXTLSA-N 2 0 317.477 2.703 20 0 DFADRP COC(=O)c1ccc(C[NH2+]Cc2ccc(-n3ccnc3)cc2)cc1 ZINC000237104294 398367482 /nfs/dbraw/zinc/36/74/82/398367482.db2.gz HYTALIDURDKHPP-UHFFFAOYSA-N 2 0 321.380 2.949 20 0 DFADRP O=C(NCCCCC[NH+]1CCCCC1)[C@H]1C[C@@H]2CCCC[N@@H+]2C1 ZINC000081718437 398368244 /nfs/dbraw/zinc/36/82/44/398368244.db2.gz UFSHBEBHLRXDRO-ROUUACIJSA-N 2 0 321.509 2.633 20 0 DFADRP C[NH+](C)[C@@H]1CCC[C@H]([NH2+]C2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000297305638 282194313 /nfs/dbraw/zinc/19/43/13/282194313.db2.gz BIBFVMIZBCIBEY-FUHWJXTLSA-N 3 0 302.466 2.513 20 0 DFADRP Cc1ccc(NC(=O)C[C@@H](C)[NH2+]C[C@@H]2CCCN2C)c(C)c1 ZINC000237449588 398370868 /nfs/dbraw/zinc/37/08/68/398370868.db2.gz SBCOSBLPYRYSNP-CVEARBPZSA-N 2 0 303.450 2.704 20 0 DFADRP C[C@@H](NC(=O)CC[C@@H]([NH3+])c1ccccc1)C(C)(C)C[NH+](C)C ZINC000237568364 398371690 /nfs/dbraw/zinc/37/16/90/398371690.db2.gz RYUUNEIRHFSRGD-GDBMZVCRSA-N 2 0 305.466 2.559 20 0 DFADRP C[C@@H]1CCCC[N@@H+]1CCCNC(=O)CC[C@@H]([NH3+])c1ccccc1 ZINC000237673622 398372510 /nfs/dbraw/zinc/37/25/10/398372510.db2.gz CRCDEIDKHSHSKF-SJLPKXTDSA-N 2 0 317.477 2.847 20 0 DFADRP C[C@H]1CCCC[C@H]1[NH2+]Cc1ccc(C(=O)NCC[NH+](C)C)cc1 ZINC000090038842 185279159 /nfs/dbraw/zinc/27/91/59/185279159.db2.gz WNXWYJGKHKPEDM-MAUKXSAKSA-N 2 0 317.477 2.646 20 0 DFADRP CCC(CC)[NH2+]Cc1ccc(C(=O)NCC[NH+]2CCCC2)cc1 ZINC000090028794 185278935 /nfs/dbraw/zinc/27/89/35/185278935.db2.gz URONGGRSAPYMIP-UHFFFAOYSA-N 2 0 317.477 2.790 20 0 DFADRP C[NH+](C)[C@@H]1CCc2cc(NC(=O)N[C@@H]3CCC[C@H]([NH3+])C3)ccc21 ZINC000332566954 282226255 /nfs/dbraw/zinc/22/62/55/282226255.db2.gz UPFIYVYHTDCDKL-JJRVBVJISA-N 2 0 316.449 2.627 20 0 DFADRP C[NH+](C)CCC1CC[NH+](Cc2ccc(N3CCCC3)nc2)CC1 ZINC000092381088 185314600 /nfs/dbraw/zinc/31/46/00/185314600.db2.gz QNMWYSKBRFVTCW-UHFFFAOYSA-N 2 0 316.493 2.846 20 0 DFADRP C[C@H]1CCC[C@H](C[NH2+]Cc2ccc(N3CC[NH+](C)CC3)nc2)C1 ZINC000092560623 185325652 /nfs/dbraw/zinc/32/56/52/185325652.db2.gz CNKMVQPITUYNOP-IRXDYDNUSA-N 2 0 316.493 2.749 20 0 DFADRP Cc1ccoc1C[NH+]1CCC(C[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000092587420 185327540 /nfs/dbraw/zinc/32/75/40/185327540.db2.gz XDEBGIIGKAQWGU-HZPDHXFCSA-N 2 0 306.450 2.909 20 0 DFADRP Cc1ncsc1C[NH+]1CCC(C[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000092587506 185327575 /nfs/dbraw/zinc/32/75/75/185327575.db2.gz KEUVKDGPAXRFSM-ZIAGYGMSSA-N 2 0 323.506 2.773 20 0 DFADRP C[C@@H]([NH2+]Cc1ccc(CN2CC[NH+](C)CC2)cc1)c1cccnc1 ZINC000092740061 185337757 /nfs/dbraw/zinc/33/77/57/185337757.db2.gz WJIBNPDORHZGLD-QGZVFWFLSA-N 2 0 324.472 2.680 20 0 DFADRP Fc1ccc(-c2nc(CC[NH2+][C@@H]3CCC[NH2+]CC3)co2)cc1 ZINC000584714687 398401354 /nfs/dbraw/zinc/40/13/54/398401354.db2.gz AIFGAZREHBLSOD-OAHLLOKOSA-N 2 0 303.381 2.755 20 0 DFADRP CN(CC1CC[NH+](C)CC1)C(=O)CC[C@H]([NH3+])CC1CCCCC1 ZINC000584783008 398411999 /nfs/dbraw/zinc/41/19/99/398411999.db2.gz IJIWTLYXVGXODV-SFHVURJKSA-N 2 0 323.525 2.865 20 0 DFADRP CCO[C@@H]1C[C@H]([NH2+]CCN2[C@H](C)CCC[C@H]2C)[C@@H]1SC ZINC000459425444 299103206 /nfs/dbraw/zinc/10/32/06/299103206.db2.gz KHQSOWKWTQGZJB-LJIZCISZSA-N 2 0 300.512 2.748 20 0 DFADRP CCO[C@@H]1C[C@H]([NH2+]C[C@@H]2CCC[N@@H+](C(C)C)C2)[C@H]1SC ZINC000459427343 299103657 /nfs/dbraw/zinc/10/36/57/299103657.db2.gz NCJRTEJTLVRNEQ-CAOSSQGBSA-N 2 0 300.512 2.605 20 0 DFADRP CC(C)(C)OC(=O)[C@@H]1CC[C@H]([NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)C1 ZINC000592379374 398419103 /nfs/dbraw/zinc/41/91/03/398419103.db2.gz MNTKZLDTDJXLBL-QKPAOTATSA-N 2 0 308.466 2.713 20 0 DFADRP C[N@H+](CCCNC(=O)C[C@H]1CCCC[C@H]1[NH3+])Cc1ccccc1 ZINC000309750642 529889350 /nfs/dbraw/zinc/88/93/50/529889350.db2.gz ZFUOZGFDOBPDCR-QZTJIDSGSA-N 2 0 317.477 2.532 20 0 DFADRP OC[C@H](CC1CCCC1)[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000459449925 299109672 /nfs/dbraw/zinc/10/96/72/299109672.db2.gz JOMSKCUIKSNQEJ-KRWDZBQOSA-N 2 0 303.450 2.581 20 0 DFADRP C[N@@H+]1CCC[C@H]2C[NH+](C[C@@H](O)c3cc4ccccc4o3)CC[C@H]21 ZINC000292807464 530064351 /nfs/dbraw/zinc/06/43/51/530064351.db2.gz MUSQRNXHZGPLRQ-GVDBMIGSSA-N 2 0 314.429 2.882 20 0 DFADRP C[N@@H+]1CCC[C@H]2C[NH+](C[C@@H](O)c3cc4ccccc4o3)CC[C@@H]21 ZINC000292807474 530064383 /nfs/dbraw/zinc/06/43/83/530064383.db2.gz MUSQRNXHZGPLRQ-YESZJQIVSA-N 2 0 314.429 2.882 20 0 DFADRP CCO[C@@H]1C[C@@H]([NH2+]C[C@H](C)N(C)C)[C@H]1Sc1ccccc1 ZINC000459459636 299111796 /nfs/dbraw/zinc/11/17/96/299111796.db2.gz GTFWMZZAPFRRQX-RKTXRCNFSA-N 2 0 308.491 2.864 20 0 DFADRP C[N@@H+]1CCC[C@]2(CC[NH+](Cc3ccc(-n4ccnc4)cc3)C2)C1 ZINC000293048898 530065330 /nfs/dbraw/zinc/06/53/30/530065330.db2.gz SXTGSAQAGHDRKB-IBGZPJMESA-N 2 0 310.445 2.790 20 0 DFADRP C[N@@H+]1CCC[C@@H]2C[NH+](C[C@@H](O)c3cc4ccccc4o3)CC[C@H]21 ZINC000292807460 530059190 /nfs/dbraw/zinc/05/91/90/530059190.db2.gz MUSQRNXHZGPLRQ-BRWVUGGUSA-N 2 0 314.429 2.882 20 0 DFADRP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]CCCOc1cccc2cccnc21 ZINC000089627551 398460099 /nfs/dbraw/zinc/46/00/99/398460099.db2.gz MWBVWRVUDYHBHM-WBVHZDCISA-N 2 0 313.445 2.934 20 0 DFADRP CC1CC[NH+](C2CCC([NH2+][C@@H]3CCN(C)C[C@@H]3C)CC2)CC1 ZINC000090775281 398492792 /nfs/dbraw/zinc/49/27/92/398492792.db2.gz KOILYRAPPAHLRE-MKCYZYCBSA-N 2 0 307.526 2.959 20 0 DFADRP CC(C)[N@@H+]1CC[C@H](C[NH2+][C@@H]2CCCN(Cc3ccccc3)C2)C1 ZINC000302907811 398496214 /nfs/dbraw/zinc/49/62/14/398496214.db2.gz YAPGZLFIAGRORG-WOJBJXKFSA-N 2 0 315.505 2.971 20 0 DFADRP c1ccc(C[N@H+]2C[C@@H]3CCC[C@H]([NH2+]C[C@@H]4CCOC4)[C@@H]3C2)cc1 ZINC000272681709 210086374 /nfs/dbraw/zinc/08/63/74/210086374.db2.gz NDUJZMLWGAPHQJ-HAGHYFMRSA-N 2 0 314.473 2.913 20 0 DFADRP CC[NH+](CC)Cc1ccccc1CNC(=O)CC[NH2+]C(C)C ZINC000315516910 398526292 /nfs/dbraw/zinc/52/62/92/398526292.db2.gz YEOLFSNFCMXPSG-UHFFFAOYSA-N 2 0 305.466 2.533 20 0 DFADRP c1ccc2c(c1)OC[C@H]2C[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000459570454 299136930 /nfs/dbraw/zinc/13/69/30/299136930.db2.gz PGWBCTPCGFPEGV-OAHLLOKOSA-N 2 0 309.413 2.816 20 0 DFADRP Cc1ccc(-c2noc(CN(C)CC[C@H]([NH3+])C(C)C)n2)cc1 ZINC000317235047 398534605 /nfs/dbraw/zinc/53/46/05/398534605.db2.gz DMEQNXCUFYOYCO-HNNXBMFYSA-N 2 0 302.422 2.850 20 0 DFADRP C[N@@H+]1CCCC[C@H]1CC[NH+]1CC[C@@](C)(C(=O)OC(C)(C)C)C1 ZINC000459592652 299142718 /nfs/dbraw/zinc/14/27/18/299142718.db2.gz VEZRWJWNOMUJQA-MAUKXSAKSA-N 2 0 310.482 2.915 20 0 DFADRP C[N@@H+]1CCCC[C@@H]1CC[NH+]1CC[C@](C)(C(=O)OC(C)(C)C)C1 ZINC000459592656 299142896 /nfs/dbraw/zinc/14/28/96/299142896.db2.gz VEZRWJWNOMUJQA-QAPCUYQASA-N 2 0 310.482 2.915 20 0 DFADRP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]CCc1coc(-c2ccc(F)cc2)n1 ZINC000091739742 398543167 /nfs/dbraw/zinc/54/31/67/398543167.db2.gz DBNVKSQLODAJSZ-DYVFJYSZSA-N 2 0 317.408 2.953 20 0 DFADRP CSC1(C[NH2+][C@@H]2CCCc3cccnc32)CC[NH+](C)CC1 ZINC000589345584 398547322 /nfs/dbraw/zinc/54/73/22/398547322.db2.gz XYPZWRLYJLLTAU-OAHLLOKOSA-N 2 0 305.491 2.876 20 0 DFADRP CSC1(C[NH2+]C[C@@H]2CCOc3ccccc32)CC[NH+](C)CC1 ZINC000589325666 398545510 /nfs/dbraw/zinc/54/55/10/398545510.db2.gz LCLULRLVRWKFTH-HNNXBMFYSA-N 2 0 320.502 2.970 20 0 DFADRP C[NH+](C)CCOc1ccc(C[NH2+]CCc2ccc(O)cc2)cc1 ZINC000069063162 398545531 /nfs/dbraw/zinc/54/55/31/398545531.db2.gz IGTBGJSZTMJBFK-UHFFFAOYSA-N 2 0 314.429 2.665 20 0 DFADRP CCC[N@H+](CC)Cc1ccc(C(=O)N[C@@H]2CCC[NH2+][C@@H]2C)cc1 ZINC000277517508 213585057 /nfs/dbraw/zinc/58/50/57/213585057.db2.gz RZJWGFYHRQZCBF-CRAIPNDOSA-N 2 0 317.477 2.789 20 0 DFADRP C[NH+](C)Cc1cccc(NC(=O)[C@H]2C[NH2+]Cc3ccccc32)c1 ZINC000321238251 398551653 /nfs/dbraw/zinc/55/16/53/398551653.db2.gz TWUWTIRSPLASBS-SFHVURJKSA-N 2 0 309.413 2.574 20 0 DFADRP CC(C)[N@H+](C)CC1CCN(C(=O)C[C@H]([NH3+])c2ccccc2)CC1 ZINC000321559099 398553573 /nfs/dbraw/zinc/55/35/73/398553573.db2.gz FYMKLRHGWROIDU-SFHVURJKSA-N 2 0 317.477 2.655 20 0 DFADRP CCC[C@@H](C)[NH2+]Cc1ccc(C[NH+]2CCC(C(N)=O)CC2)cc1 ZINC000414322232 295787810 /nfs/dbraw/zinc/78/78/10/295787810.db2.gz GLIBTUYRHUMEMD-OAHLLOKOSA-N 2 0 317.477 2.662 20 0 DFADRP COC(=O)c1oc(C[NH2+]CCCCC[NH+]2CCCC2)cc1C ZINC000597136290 398574003 /nfs/dbraw/zinc/57/40/03/398574003.db2.gz UHRIQNINSGMIKT-UHFFFAOYSA-N 2 0 308.422 2.730 20 0 DFADRP C[C@H]1CCCC[C@H]1[NH+]1CCC([NH2+]CCc2cn(C)cn2)CC1 ZINC000459655889 299156947 /nfs/dbraw/zinc/15/69/47/299156947.db2.gz GLIISNPIHKGJBU-MAUKXSAKSA-N 2 0 304.482 2.595 20 0 DFADRP COc1ccc(C[NH+]2CCC(CC[NH3+])CC2)c(Cl)c1OC ZINC000070187502 398593340 /nfs/dbraw/zinc/59/33/40/398593340.db2.gz RXQVONIJYKDUPA-UHFFFAOYSA-N 2 0 312.841 2.918 20 0 DFADRP C[C@@H](C1CC1)[N@H+](C[C@H](O)CN(C)Cc1ccccc1)C1CC1 ZINC000590125136 398598439 /nfs/dbraw/zinc/59/84/39/398598439.db2.gz IXSTYAKSLXRIER-HNAYVOBHSA-N 2 0 302.462 2.742 20 0 DFADRP COC(=O)CCC[C@H]1CCC[C@H]([NH2+]CCC2CC[NH2+]CC2)C1 ZINC000593321965 398598455 /nfs/dbraw/zinc/59/84/55/398598455.db2.gz KCWNFSOKFVWAKQ-SJORKVTESA-N 2 0 310.482 2.868 20 0 DFADRP CCOC(=O)C1([C@H](C)[NH2+][C@@H]2C[C@H]2CC(C)(C)C)CC[NH2+]CC1 ZINC000593319550 398598477 /nfs/dbraw/zinc/59/84/77/398598477.db2.gz NFHNGPIZXJLUJV-SOUVJXGZSA-N 2 0 310.482 2.722 20 0 DFADRP CC(C)CC[N@@H+]1Cc2cccc(NC(=O)[C@@H]3CCC[NH2+]3)c2C1 ZINC000070844770 398601319 /nfs/dbraw/zinc/60/13/19/398601319.db2.gz TYABAJXZZFHDMB-KRWDZBQOSA-N 2 0 301.434 2.739 20 0 DFADRP CCO[C@@H]1C[C@@H]([NH2+]CC2CC[NH+](CC3CC3)CC2)[C@@H]1SC ZINC000597248363 398606702 /nfs/dbraw/zinc/60/67/02/398606702.db2.gz RKWJITOUBMADKA-ZACQAIPSSA-N 2 0 312.523 2.607 20 0 DFADRP c1cn(-c2ccc(C[N@H+]3CC[C@H](C[NH+]4CCCC4)C3)cc2)cn1 ZINC000150805641 186067310 /nfs/dbraw/zinc/06/73/10/186067310.db2.gz LYHKIVRPOPBVFI-GOSISDBHSA-N 2 0 310.445 2.790 20 0 DFADRP CCOc1ccc(OCC[N@H+](C)C[C@H]2CCC[NH+](C)C2)cc1 ZINC000152447135 186073934 /nfs/dbraw/zinc/07/39/34/186073934.db2.gz NEHOZULLCXBIBN-INIZCTEOSA-N 2 0 306.450 2.738 20 0 DFADRP COc1ccc(OCCC[NH2+][C@@H]2C[C@H](C)[N@H+](C)C[C@H]2C)cc1 ZINC000152493591 186078968 /nfs/dbraw/zinc/07/89/68/186078968.db2.gz AEWCKCUZRREUIM-RVKKMQEKSA-N 2 0 306.450 2.782 20 0 DFADRP C[C@H]([NH2+]C[C@H](O)C(C)(C)C)c1cccc(OCC[NH+](C)C)c1 ZINC000164042096 186146990 /nfs/dbraw/zinc/14/69/90/186146990.db2.gz ZQOLATLOUVHHJE-YOEHRIQHSA-N 2 0 308.466 2.685 20 0 DFADRP CC[C@H]([NH2+]Cc1ccc(OCC[NH+](C)C)cc1)C1CCOCC1 ZINC000072743766 398634861 /nfs/dbraw/zinc/63/48/61/398634861.db2.gz XSYRLQYJOQGROH-IBGZPJMESA-N 2 0 320.477 2.922 20 0 DFADRP Cc1ncsc1C[NH+]1CCC(OCC[NH+]2CCCC2)CC1 ZINC000093735170 398643380 /nfs/dbraw/zinc/64/33/80/398643380.db2.gz JOCBZAJSWCHOHM-UHFFFAOYSA-N 2 0 309.479 2.528 20 0 DFADRP CCOC(=O)CC[NH2+]C1[C@H](C)C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000189952022 186253937 /nfs/dbraw/zinc/25/39/37/186253937.db2.gz PEEQYMVNRAAWJC-MCPYQZEQSA-N 2 0 318.461 2.686 20 0 DFADRP COC(=O)CCC[NH2+]C1[C@H](C)C[NH+](Cc2ccccc2)C[C@H]1C ZINC000189951645 186253949 /nfs/dbraw/zinc/25/39/49/186253949.db2.gz NDQAWHNRCKIVAC-HZPDHXFCSA-N 2 0 318.461 2.686 20 0 DFADRP C[C@H](CNC(=O)[C@H](C)[C@@H]([NH3+])c1ccccc1)C[NH+]1CCCCC1 ZINC000237456935 186292301 /nfs/dbraw/zinc/29/23/01/186292301.db2.gz ZYYWFMIONKMLDV-JFIYKMOQSA-N 2 0 317.477 2.561 20 0 DFADRP COc1cccc([C@H](C)[NH+]2CCN(CC[NH2+]C(C)(C)C)CC2)c1 ZINC000414689616 295816433 /nfs/dbraw/zinc/81/64/33/295816433.db2.gz GLAVBTJMRRETSA-INIZCTEOSA-N 2 0 319.493 2.762 20 0 DFADRP CC[N@@H+]1CC[C@H](CN[C@@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C)C1 ZINC000268746019 186376119 /nfs/dbraw/zinc/37/61/19/186376119.db2.gz ASPFXPKJBZQZGK-DFQSSKMNSA-N 2 0 315.505 2.828 20 0 DFADRP C[NH+](C)CCCOc1cnccc1C[NH2+]Cc1cccc(F)c1 ZINC000288425611 186599174 /nfs/dbraw/zinc/59/91/74/186599174.db2.gz BJMCHWHUAFTSNO-UHFFFAOYSA-N 2 0 317.408 2.841 20 0 DFADRP FC(F)(F)COc1ccc(C[NH2+]C[C@@H]2CCC[NH2+]C2)cc1 ZINC000414822249 295822308 /nfs/dbraw/zinc/82/23/08/295822308.db2.gz CLWPVSQXRXQYFR-CYBMUJFWSA-N 2 0 302.340 2.717 20 0 DFADRP Clc1cc(C[NH2+]CC[C@H]2CC[NH2+]C2)cc2c1OCCCO2 ZINC000414828253 295822902 /nfs/dbraw/zinc/82/29/02/295822902.db2.gz INOKWBKYSIBGBD-GFCCVEGCSA-N 2 0 310.825 2.591 20 0 DFADRP COc1cc2c(cc1C[NH2+]CCC1CC[NH+](C)CC1)O[C@@H](C)C2 ZINC000378927562 398657638 /nfs/dbraw/zinc/65/76/38/398657638.db2.gz VBPONZMYCVESMV-AWEZNQCLSA-N 2 0 318.461 2.840 20 0 DFADRP Cc1ccc(C[NH+]2CCN(CC[NH+]3CCCC3)CC2)c(C)c1 ZINC000171909746 198006383 /nfs/dbraw/zinc/00/63/83/198006383.db2.gz YHNICFQFVHQDRI-UHFFFAOYSA-N 2 0 301.478 2.517 20 0 DFADRP COc1cccc(C[NH2+]CC[C@H]2CCC[NH2+]C2)c1OC(C)C ZINC000414843704 295825208 /nfs/dbraw/zinc/82/52/08/295825208.db2.gz CKGCJACSVUPAEI-OAHLLOKOSA-N 2 0 306.450 2.962 20 0 DFADRP [NH3+]C1(CNC2CC[NH+](Cc3ccccc3)CC2)CCCCC1 ZINC000414841196 295824877 /nfs/dbraw/zinc/82/48/77/295824877.db2.gz LCWPNYCDUAGRHD-UHFFFAOYSA-N 2 0 301.478 2.902 20 0 DFADRP C[C@@H]([NH2+]Cc1ccc(OC(F)F)c(F)c1)[C@H]1CCC[NH2+]C1 ZINC000414846218 295825616 /nfs/dbraw/zinc/82/56/16/295825616.db2.gz DUQAVXLIBGJDEE-PWSUYJOCSA-N 2 0 302.340 2.905 20 0 DFADRP CCCn1c(C[NH2+]CC[C@@H]2CCC[NH2+]C2)nc2ccccc21 ZINC000414850357 295825801 /nfs/dbraw/zinc/82/58/01/295825801.db2.gz MTVIEZDKYDHNOQ-HNNXBMFYSA-N 2 0 300.450 2.926 20 0 DFADRP COc1cc(C[NH2+][C@H](C)[C@@H]2CCC[NH2+]C2)c(SC)cc1OC ZINC000414851441 295826091 /nfs/dbraw/zinc/82/60/91/295826091.db2.gz JIWMVLRALNGIBS-CHWSQXEVSA-N 2 0 324.490 2.903 20 0 DFADRP CCOc1c(OC)cc(C[NH2+][C@H](C)[C@H]2CCC[NH2+]C2)cc1OC ZINC000414852982 295826209 /nfs/dbraw/zinc/82/62/09/295826209.db2.gz KHXSXYDZRPJROG-HIFRSBDPSA-N 2 0 322.449 2.580 20 0 DFADRP C[C@H]([NH2+]Cc1cc(Br)cs1)[C@@H]1CCC[NH2+]C1 ZINC000414854007 295826385 /nfs/dbraw/zinc/82/63/85/295826385.db2.gz LSSDMYOLFBPLAQ-VHSXEESVSA-N 2 0 303.269 2.988 20 0 DFADRP C[NH2+]CCC[NH2+]Cc1ccc(OCc2csc(C)n2)cc1 ZINC000414856524 295826771 /nfs/dbraw/zinc/82/67/71/295826771.db2.gz AUENRZWFWGUYGF-UHFFFAOYSA-N 2 0 305.447 2.730 20 0 DFADRP Cc1cccc(NC(=O)C[C@H](C)[NH2+][C@@H](C)[C@H]2CCC[NH2+]C2)c1C ZINC000414860083 295827301 /nfs/dbraw/zinc/82/73/01/295827301.db2.gz VEVWXGSTLLSXJR-XIRDDKMYSA-N 2 0 317.477 2.998 20 0 DFADRP C[C@@H](C[NH3+])C[NH2+]Cc1cn(Cc2ccccc2)nc1C(C)(C)C ZINC000414884211 295830173 /nfs/dbraw/zinc/83/01/73/295830173.db2.gz VUIBFYQWTXHQLJ-HNNXBMFYSA-N 2 0 314.477 2.913 20 0 DFADRP Cn1cc(C[NH2+]CC[C@H]2CCC[NH2+]2)c(-c2ccccc2Cl)n1 ZINC000414900553 295832268 /nfs/dbraw/zinc/83/22/68/295832268.db2.gz DPBCUNSGVYBQQV-CQSZACIVSA-N 2 0 318.852 2.972 20 0 DFADRP Cc1nn(Cc2ccc(C)cc2)c(C)c1C[NH2+]CCCC[NH3+] ZINC000414905975 295833068 /nfs/dbraw/zinc/83/30/68/295833068.db2.gz OXDXYGLNEIHGQM-UHFFFAOYSA-N 2 0 300.450 2.685 20 0 DFADRP CCOc1c(OC)cc(C[NH2+]C[C@@]2(C)CCC[NH2+]C2)cc1OC ZINC000414904733 295832812 /nfs/dbraw/zinc/83/28/12/295832812.db2.gz NXAMIKBDKLDVRI-SFHVURJKSA-N 2 0 322.449 2.582 20 0 DFADRP COCCCOc1cccc(C[NH2+]CC2(C)CC[NH2+]CC2)c1 ZINC000414913774 295834053 /nfs/dbraw/zinc/83/40/53/295834053.db2.gz WRJGRVBKRUKXTJ-UHFFFAOYSA-N 2 0 306.450 2.581 20 0 DFADRP [NH3+]CCCC[NH2+]Cc1cn(-c2ccccc2)nc1-c1ccncc1 ZINC000414914949 295834369 /nfs/dbraw/zinc/83/43/69/295834369.db2.gz YPJWTSAZTVSWLA-UHFFFAOYSA-N 2 0 321.428 2.763 20 0 DFADRP C[C@@]1(CNC2CC[NH+](CCc3ccccc3)CC2)CCC[NH2+]C1 ZINC000414920371 295835050 /nfs/dbraw/zinc/83/50/50/295835050.db2.gz ZENNVEBBDQLGDS-HXUWFJFHSA-N 2 0 315.505 2.673 20 0 DFADRP COc1ccc(C[NH2+]C2(C)CC[NH2+]CC2)cc1OCC(C)C ZINC000414937624 295837487 /nfs/dbraw/zinc/83/74/87/295837487.db2.gz HWKDWBRWONQVQV-UHFFFAOYSA-N 2 0 306.450 2.962 20 0 DFADRP CCC[C@@H](C)NC(=O)[C@@H](C)[NH+]1CCC(C[N@H+](C)C(C)C)CC1 ZINC000590786278 398673656 /nfs/dbraw/zinc/67/36/56/398673656.db2.gz LZPZEZLZIONIIP-HZPDHXFCSA-N 2 0 311.514 2.732 20 0 DFADRP CC(C)[N@H+](C)CC1CC[NH+](CC(=O)N2C[C@H](C)C[C@@H](C)C2)CC1 ZINC000590786999 398674234 /nfs/dbraw/zinc/67/42/34/398674234.db2.gz QCHMZFZLTIUVKV-IAGOWNOFSA-N 2 0 323.525 2.543 20 0 DFADRP COCC1(C[NH2+][C@@H](C)CCc2ccc(C)cc2)CC[NH2+]CC1 ZINC000414966990 295842283 /nfs/dbraw/zinc/84/22/83/295842283.db2.gz CKMFRJVJXHBNLS-KRWDZBQOSA-N 2 0 304.478 2.922 20 0 DFADRP CC1(C)C[NH2+]CC[C@H]1[NH2+]Cc1ccc(OC[C@@H]2CCCO2)cc1 ZINC000414982096 295843837 /nfs/dbraw/zinc/84/38/37/295843837.db2.gz YIUMUTQCNZZSIO-ZWKOTPCHSA-N 2 0 318.461 2.722 20 0 DFADRP COc1ccc(C[NH2+]CC[C@H]2CCC[N@H+](C)C2)c(C)c1OC ZINC000459777243 299189543 /nfs/dbraw/zinc/18/95/43/299189543.db2.gz KJCXRINAPSIYFB-OAHLLOKOSA-N 2 0 306.450 2.834 20 0 DFADRP [NH3+][C@@H]1CCC[C@@H](C[NH2+]Cc2c[nH]nc2-c2ccc(F)cc2)C1 ZINC000414989530 295844446 /nfs/dbraw/zinc/84/44/46/295844446.db2.gz HJSHOQYMWSCPEZ-MLGOLLRUSA-N 2 0 302.397 2.823 20 0 DFADRP CC(C)CCC[C@@H](C)[NH2+]C[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000414990238 295844506 /nfs/dbraw/zinc/84/45/06/295844506.db2.gz RMSLASWXFIHREK-KGLIPLIRSA-N 2 0 309.420 2.627 20 0 DFADRP C[C@H](CCc1ccc2c(c1)OCO2)[NH2+]C[C@@H]1CCC[C@H]([NH3+])C1 ZINC000414996541 295845242 /nfs/dbraw/zinc/84/52/42/295845242.db2.gz GMASENZCWUQOQB-BMFZPTHFSA-N 2 0 304.434 2.844 20 0 DFADRP COc1ccc(C[NH2+]C[C@@H]2CCC[C@@H]([NH3+])C2)c(OC(F)F)c1 ZINC000414995684 295845176 /nfs/dbraw/zinc/84/51/76/295845176.db2.gz NTZRNJCYQKWFPY-DGCLKSJQSA-N 2 0 314.376 2.904 20 0 DFADRP CCOc1c(C[NH2+]C[C@@H]2CCC[C@H]([NH3+])C2)c(C)nn1CC(C)C ZINC000414999745 295845864 /nfs/dbraw/zinc/84/58/64/295845864.db2.gz SGOZFLXFENSKRF-CVEARBPZSA-N 2 0 322.497 2.853 20 0 DFADRP C[C@@H]1CCCC[C@@H]1[NH+]1CCC(N[C@@H]2C[NH2+]CCC2(F)F)CC1 ZINC000415000541 295845882 /nfs/dbraw/zinc/84/58/82/295845882.db2.gz LFXFVNOSFIWHKJ-VNQPRFMTSA-N 2 0 315.452 2.616 20 0 DFADRP Cc1nn(-c2ccccc2)cc1C[NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000415000583 295845811 /nfs/dbraw/zinc/84/58/11/295845811.db2.gz BHKLQARYDXNQFI-RBUKOAKNSA-N 2 0 310.445 2.658 20 0 DFADRP COC(=O)c1cc(C[N@@H+]2CCC[C@H](C)[C@H]2CC[NH3+])c(C)s1 ZINC000593734052 398679093 /nfs/dbraw/zinc/67/90/93/398679093.db2.gz SCLMNGSFAJVBQP-SMDDNHRTSA-N 2 0 310.463 2.792 20 0 DFADRP Cn1cc(CCC[N@@H+]2CCC[C@@H](C[NH+]3CCCCCC3)C2)cn1 ZINC000590819500 398681499 /nfs/dbraw/zinc/68/14/99/398681499.db2.gz RLFJEZMXXKAJBP-IBGZPJMESA-N 2 0 318.509 2.941 20 0 DFADRP COc1ccc(C[NH2+]C[C@H]2CC[C@H](C[NH3+])CC2)c(OC)c1OC ZINC000415022726 295848142 /nfs/dbraw/zinc/84/81/42/295848142.db2.gz JHSSCTYOQAOGLF-HDJSIYSDSA-N 2 0 322.449 2.567 20 0 DFADRP COc1cc(C[NH2+][C@@H](C)CCC[NH3+])ccc1OCC(F)(F)F ZINC000415022290 295848203 /nfs/dbraw/zinc/84/82/03/295848203.db2.gz LFLRXCRODFGRAX-NSHDSACASA-N 2 0 320.355 2.853 20 0 DFADRP CC1(C)[C@@H]([NH2+]CC2CC[NH+](CCO)CC2)C[C@H]1c1ccccc1 ZINC000123192216 282843036 /nfs/dbraw/zinc/84/30/36/282843036.db2.gz HIFZSEPBSQERLH-OALUTQOASA-N 2 0 316.489 2.863 20 0 DFADRP C[N@@H+]1CCC[C@H](CC[NH2+]Cc2ccc(Br)o2)C1 ZINC000459787744 299193278 /nfs/dbraw/zinc/19/32/78/299193278.db2.gz PXEGGEGECCGBOM-LLVKDONJSA-N 2 0 301.228 2.864 20 0 DFADRP COc1ccc(-c2ccncc2)cc1C[NH2+][C@@H]1CC[C@@H](C[NH3+])C1 ZINC000415041066 295850269 /nfs/dbraw/zinc/85/02/69/295850269.db2.gz PMTNMSGLWUZION-RDTXWAMCSA-N 2 0 311.429 2.974 20 0 DFADRP c1ccc(C[NH+]2CCN(CC[NH2+]C(C3CC3)C3CC3)CC2)cc1 ZINC000123648151 282852090 /nfs/dbraw/zinc/85/20/90/282852090.db2.gz IHWOYSAKGUKKQH-UHFFFAOYSA-N 2 0 313.489 2.582 20 0 DFADRP COC(=O)c1ccc(C[NH2+][C@H](CCC[NH3+])c2ccccc2)o1 ZINC000415054859 295852213 /nfs/dbraw/zinc/85/22/13/295852213.db2.gz NWOAOYAUAOZKAN-OAHLLOKOSA-N 2 0 302.374 2.636 20 0 DFADRP COCCC[NH+]1CCC([NH2+]C[C@@H](C)Cc2ccccc2)CC1 ZINC000182057878 199380118 /nfs/dbraw/zinc/38/01/18/199380118.db2.gz KNAKFPFITQQCSD-KRWDZBQOSA-N 2 0 304.478 2.956 20 0 DFADRP Cc1[nH]nc2ncc(C[NH2+][C@H](CCC[NH3+])c3ccccc3)cc12 ZINC000415061556 295853029 /nfs/dbraw/zinc/85/30/29/295853029.db2.gz YMCDPTONIOEGSC-QGZVFWFLSA-N 2 0 309.417 2.836 20 0 DFADRP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]23)CO1 ZINC000401870357 398688988 /nfs/dbraw/zinc/68/89/88/398688988.db2.gz BLLUCVAOPBBQTC-GYFISPQKSA-N 2 0 300.446 2.664 20 0 DFADRP [NH3+]CC1CCC([NH2+]CCc2nccn2Cc2ccccc2)CC1 ZINC000415083152 295855780 /nfs/dbraw/zinc/85/57/80/295855780.db2.gz MZFXVPXLWPPKKF-UHFFFAOYSA-N 2 0 312.461 2.581 20 0 DFADRP C[N@@H+]1CCCN(CCC[NH2+]Cc2c(F)cccc2Cl)CC1 ZINC000105476858 398693588 /nfs/dbraw/zinc/69/35/88/398693588.db2.gz FAPVDTSOBCOHPO-UHFFFAOYSA-N 2 0 313.848 2.596 20 0 DFADRP COc1cccc(OCCC[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)c1 ZINC000415115235 295859944 /nfs/dbraw/zinc/85/99/44/295859944.db2.gz GRMJNJRIXBWYMP-IPMKNSEASA-N 2 0 318.461 2.974 20 0 DFADRP COCc1cccc(C[NH2+]CCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000174315774 198319364 /nfs/dbraw/zinc/31/93/64/198319364.db2.gz ZFOHJYLACICPTO-CALCHBBNSA-N 2 0 320.477 2.812 20 0 DFADRP OCc1ccc(C[NH2+]CC2CC[NH+](Cc3cccs3)CC2)o1 ZINC000174324533 198320302 /nfs/dbraw/zinc/32/03/02/198320302.db2.gz HCJDSLQZXDRJEO-UHFFFAOYSA-N 2 0 320.458 2.835 20 0 DFADRP Cc1ccc(C[NH+]2CCC([C@H]3C[C@H]([NH3+])CCO3)CC2)cc1F ZINC000415121216 295860942 /nfs/dbraw/zinc/86/09/42/295860942.db2.gz HRUDVRZOGSVMMT-SJLPKXTDSA-N 2 0 306.425 2.852 20 0 DFADRP C[C@H]([NH2+]Cc1ccc(OCCC[NH+](C)C)cc1)c1cnn(C)c1 ZINC000174438208 198334405 /nfs/dbraw/zinc/33/44/05/198334405.db2.gz JPZDURBJFZDOBY-HNNXBMFYSA-N 2 0 316.449 2.601 20 0 DFADRP CCc1ccc(C[NH+]2CCC([C@H]3C[C@@H]([NH3+])CCO3)CC2)cc1 ZINC000415130474 295862311 /nfs/dbraw/zinc/86/23/11/295862311.db2.gz XBJPTLDPAYPPFC-RBUKOAKNSA-N 2 0 302.462 2.967 20 0 DFADRP [NH3+][C@@H]1CCCO[C@@H]1C1CC[NH+](Cc2ccc(F)cc2F)CC1 ZINC000415129762 295862518 /nfs/dbraw/zinc/86/25/18/295862518.db2.gz PPWMTXSBAVTRQS-IAGOWNOFSA-N 2 0 310.388 2.683 20 0 DFADRP C[C@H]([NH2+]Cc1ccc(OCCC[NH+](C)C)cc1)[C@H]1CCOC1 ZINC000174540637 198349595 /nfs/dbraw/zinc/34/95/95/198349595.db2.gz MNDKWQMLLLWROB-RDJZCZTQSA-N 2 0 306.450 2.532 20 0 DFADRP COc1ccc(C)cc1C[NH+]1CCC([C@@H]2C[C@@H]([NH3+])CCO2)CC1 ZINC000415129617 295862098 /nfs/dbraw/zinc/86/20/98/295862098.db2.gz VMMHBHQIVCVORP-HKUYNNGSSA-N 2 0 318.461 2.722 20 0 DFADRP CCCCCOc1ccc(C[NH+]2CCC(O)(C[NH3+])CC2)cc1 ZINC000415135650 295863419 /nfs/dbraw/zinc/86/34/19/295863419.db2.gz BDILTECBNTXCRY-UHFFFAOYSA-N 2 0 306.450 2.541 20 0 DFADRP CCC[N@H+](CC)CCNC(=O)c1cccc(C[NH+]2CCCC2)c1 ZINC000174653155 198365258 /nfs/dbraw/zinc/36/52/58/198365258.db2.gz WTKHFDOEQFXGKK-UHFFFAOYSA-N 2 0 317.477 2.744 20 0 DFADRP CC[C@](C[NH2+][C@H](C)C[C@@H]1CCC[NH2+]1)(C(=O)OC)c1ccccc1 ZINC000415146885 295864885 /nfs/dbraw/zinc/86/48/85/295864885.db2.gz ZKNQKCNLJXMJIW-HHXXYDBFSA-N 2 0 318.461 2.628 20 0 DFADRP CC[NH+](CC)[C@@H](C(=O)NC[C@H]1CCC[N@H+](C)C1)c1ccccc1 ZINC000108462052 398710741 /nfs/dbraw/zinc/71/07/41/398710741.db2.gz DXHKNUDUYVZQLX-SJLPKXTDSA-N 2 0 317.477 2.528 20 0 DFADRP C[C@H](NC(=O)[C@@H]1CC[N@H+](C)[C@@H](C)C1)[C@@H](c1ccccc1)[NH+](C)C ZINC000355790055 299211454 /nfs/dbraw/zinc/21/14/54/299211454.db2.gz HRXFRWYECGELJL-ONIAQPFYSA-N 2 0 317.477 2.524 20 0 DFADRP CN1CC[NH+](CCCC[NH2+][C@H]2CCC[C@H](C(F)(F)F)C2)CC1 ZINC000129278858 283009037 /nfs/dbraw/zinc/00/90/37/283009037.db2.gz WVUKVMGNLSSCPN-GJZGRUSLSA-N 2 0 321.431 2.725 20 0 DFADRP CC(C)[C@@H](C(=O)Nc1ccc(OCCC[NH+](C)C)cc1)[NH+](C)C ZINC000110767892 398724561 /nfs/dbraw/zinc/72/45/61/398724561.db2.gz REIGLHYNGGNXRH-KRWDZBQOSA-N 2 0 321.465 2.542 20 0 DFADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1[NH2+]CCc1ccc(-n2cccn2)cc1 ZINC000129575670 283021618 /nfs/dbraw/zinc/02/16/18/283021618.db2.gz GTZPDPCQCPNSEY-JTDSTZFVSA-N 2 0 312.461 2.733 20 0 DFADRP C[C@@H]1CCC[N@H+](Cc2ccc(NC(=O)[C@H]3CC[NH+](C)C3)cc2)C1 ZINC000591096322 398726705 /nfs/dbraw/zinc/72/67/05/398726705.db2.gz CVAASAKSJYSBAU-WBVHZDCISA-N 2 0 315.461 2.809 20 0 DFADRP CC1CC[NH+](Cc2ccc(NC(=O)C[C@H]3CC[NH2+]C3)cc2)CC1 ZINC000130381804 283047583 /nfs/dbraw/zinc/04/75/83/283047583.db2.gz DDTGDDGBOQWPPB-QGZVFWFLSA-N 2 0 315.461 2.857 20 0 DFADRP C[C@H]1CCCC[N@@H+]1CCCNC(=O)c1ccc(C[NH+](C)C)cc1 ZINC000073418225 191314661 /nfs/dbraw/zinc/31/46/61/191314661.db2.gz HACZJQMFBRIUTP-INIZCTEOSA-N 2 0 317.477 2.743 20 0 DFADRP CCC[C@@H]1C[NH+](CCCC[N@@H+]2CCO[C@H](CCC)C2)CCO1 ZINC000131324869 283080190 /nfs/dbraw/zinc/08/01/90/283080190.db2.gz CGNLXVLGRNSYIP-QZTJIDSGSA-N 2 0 312.498 2.768 20 0 DFADRP C[C@H]1C[C@@H](C[NH3+])CN1Cc1ccc(Br)cc1F ZINC000131674642 283094239 /nfs/dbraw/zinc/09/42/39/283094239.db2.gz AIPVQBJUTYMNAB-UWVGGRQHSA-N 2 0 301.203 2.757 20 0 DFADRP C[C@@H](CCNC(=O)Nc1ccc(C[NH3+])cc1)[NH+]1CCCCC1 ZINC000415962908 295906682 /nfs/dbraw/zinc/90/66/82/295906682.db2.gz UKXBYVNRIHPELF-AWEZNQCLSA-N 2 0 304.438 2.531 20 0 DFADRP CC[NH2+]Cc1ccccc1NC(=O)NCCC1CC[NH+](C)CC1 ZINC000415956796 295905977 /nfs/dbraw/zinc/90/59/77/295905977.db2.gz OQYUDMFRPIGKJS-UHFFFAOYSA-N 2 0 318.465 2.650 20 0 DFADRP C[NH2+]Cc1ccc(NC(=O)NC[C@H](C)C[NH+]2CCCCC2)cc1 ZINC000415968506 295907258 /nfs/dbraw/zinc/90/72/58/295907258.db2.gz DITMSKNOFLRQLO-HNNXBMFYSA-N 2 0 318.465 2.650 20 0 DFADRP C[N@@H+]1CC[C@H](CN[C@@H]2CC[NH+]3CCC[C@@H]3C2)[C@H]1c1ccccc1 ZINC000378523386 283115794 /nfs/dbraw/zinc/11/57/94/283115794.db2.gz ZWBWRNJNVSHWLU-UAFMIMERSA-N 2 0 313.489 2.896 20 0 DFADRP CC[NH+](CC)CC1CCN(C(=O)Nc2ccc(C[NH3+])cc2)CC1 ZINC000415981533 295908321 /nfs/dbraw/zinc/90/83/21/295908321.db2.gz VWLUBMUNTUWQBY-UHFFFAOYSA-N 2 0 318.465 2.731 20 0 DFADRP CC[NH+](CC)[C@@H](C(=O)NC[C@H](C)[NH+]1CCCC1)c1ccccc1 ZINC000591430231 398759332 /nfs/dbraw/zinc/75/93/32/398759332.db2.gz CRLOKABDOIGMKE-FUHWJXTLSA-N 2 0 317.477 2.670 20 0 DFADRP CC[NH+](CC)[C@@H](CNC(=O)[C@@H]([NH3+])C(C)(C)C)c1ccccc1 ZINC000236826706 202027875 /nfs/dbraw/zinc/02/78/75/202027875.db2.gz PDLLXUWMDJPZBU-JKSUJKDBSA-N 2 0 305.466 2.559 20 0 DFADRP C[C@@H](CNC(=O)CC1(C[NH3+])CCCCC1)[NH+]1CCC(C)CC1 ZINC000184229260 199690252 /nfs/dbraw/zinc/69/02/52/199690252.db2.gz LOFPACVNIKHSOQ-INIZCTEOSA-N 2 0 309.498 2.522 20 0 DFADRP C[C@@H](CCN1CC[NH+](C)CC1)[NH2+][C@H]1CCc2c1cc(F)cc2F ZINC000681140741 545602771 /nfs/dbraw/zinc/60/27/71/545602771.db2.gz BYXXMFLZEYGLJU-UGSOOPFHSA-N 2 0 323.431 2.568 20 0 DFADRP CCC[N@H+](C)C[C@H]1CCN(C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC000081363260 192256826 /nfs/dbraw/zinc/25/68/26/192256826.db2.gz YWGUSXVJMZLQGV-QGZVFWFLSA-N 2 0 317.477 2.552 20 0 DFADRP CC[NH+]1CCC(N(C)C(=O)C[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC000416148998 295924500 /nfs/dbraw/zinc/92/45/00/295924500.db2.gz VSSKRYZMUKUDET-GOSISDBHSA-N 2 0 317.477 2.622 20 0 DFADRP CC[C@H](COC)[NH2+]Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000120221156 398780828 /nfs/dbraw/zinc/78/08/28/398780828.db2.gz LMQILMLFVHSUBP-QGZVFWFLSA-N 2 0 306.450 2.676 20 0 DFADRP CCC[NH+](CCC)CCCNC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000236992245 202112269 /nfs/dbraw/zinc/11/22/69/202112269.db2.gz JJVUGLHLLYPQDE-ULQDDVLXSA-N 2 0 309.498 2.535 20 0 DFADRP CC[NH+](CC)[C@@H](C(=O)NCC([NH3+])(CC)CC)c1ccccc1 ZINC000237040346 202133235 /nfs/dbraw/zinc/13/32/35/202133235.db2.gz UVRJMCJMKMOONQ-MRXNPFEDSA-N 2 0 305.466 2.703 20 0 DFADRP CC[NH2+]CC1CCN(C(=O)[C@H](c2ccccc2)[N@H+](C)CC)CC1 ZINC000237020932 202125534 /nfs/dbraw/zinc/12/55/34/202125534.db2.gz JXWVRMNRFBEUBG-SFHVURJKSA-N 2 0 317.477 2.528 20 0 DFADRP C[N@H+](CCCNC(=O)CC1C[C@H]2CC[C@@H](C1)[NH2+]2)C1CCCCC1 ZINC000237066311 202141374 /nfs/dbraw/zinc/14/13/74/202141374.db2.gz UPCQFJQUAJOOLR-ALOPSCKCSA-N 2 0 321.509 2.678 20 0 DFADRP CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)C2([NH3+])CCCCC2)C1 ZINC000237052766 202136730 /nfs/dbraw/zinc/13/67/30/202136730.db2.gz SMYQYYOINHQVEV-HNNXBMFYSA-N 2 0 309.498 2.665 20 0 DFADRP CC[C@H](C)[C@@H]([NH3+])C(=O)NCc1ccccc1C[NH+](CC)CC ZINC000237082194 202146079 /nfs/dbraw/zinc/14/60/79/202146079.db2.gz RDPDXFVYGXHMCA-WMLDXEAASA-N 2 0 305.466 2.518 20 0 DFADRP CCC[NH+]1CCC(C[NH2+][C@H](COC)Cc2ccccc2)CC1 ZINC000122732834 398793041 /nfs/dbraw/zinc/79/30/41/398793041.db2.gz KACOXZKSGWLIDU-IBGZPJMESA-N 2 0 304.478 2.956 20 0 DFADRP C[C@H]1CCC[C@H](C[NH+]2CCC(C[NH+]3CCN(C)CC3)CC2)C1 ZINC000367671526 290503977 /nfs/dbraw/zinc/50/39/77/290503977.db2.gz PPYQJHUJKFFSLU-HKUYNNGSSA-N 2 0 307.526 2.772 20 0 DFADRP Cc1ccc(NC(=O)CCCCCC[NH3+])c(OCC[NH+](C)C)c1 ZINC000237182792 202178151 /nfs/dbraw/zinc/17/81/51/202178151.db2.gz GWXFUNAGWCUCED-UHFFFAOYSA-N 2 0 321.465 2.783 20 0 DFADRP COC(=O)c1ccc2c(c1)[C@H]([NH2+][C@@H](C)CC[NH+](C)C)CCC2 ZINC000594493053 398808992 /nfs/dbraw/zinc/80/89/92/398808992.db2.gz FDYWZQGGGHXMSU-SUMWQHHRSA-N 2 0 304.434 2.780 20 0 DFADRP CC[C@H]([NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1)c1ccc(C(=O)OC)cc1 ZINC000594508136 398812679 /nfs/dbraw/zinc/81/26/79/398812679.db2.gz BCQWUEZTGVFVRH-XKQJLSEDSA-N 2 0 304.434 2.854 20 0 DFADRP OCC[NH+]1CCC(C[NH2+][C@@H]2CCc3cc(Cl)ccc32)CC1 ZINC000151871724 283299947 /nfs/dbraw/zinc/29/99/47/283299947.db2.gz JVNTVMTTZIHWRV-QGZVFWFLSA-N 2 0 308.853 2.621 20 0 DFADRP CCn1cc([C@@H](C)[NH2+]CC2CCN(c3cc[nH+]cc3)CC2)cn1 ZINC000179469021 199041336 /nfs/dbraw/zinc/04/13/36/199041336.db2.gz QVDZSVWWFGLGNS-OAHLLOKOSA-N 2 0 313.449 2.865 20 0 DFADRP COC(=O)C[C@@H]1CC[C@H]([NH2+]CCCCC[NH+]2CCCC2)[C@@H]1C ZINC000339499011 291120804 /nfs/dbraw/zinc/12/08/04/291120804.db2.gz XNJIIDDMZXJYCK-IKGGRYGDSA-N 2 0 310.482 2.820 20 0 DFADRP COC(=O)C[C@@H]1CC[C@H]([NH2+]C2CC(C)(C)[NH2+]C(C)(C)C2)[C@@H]1C ZINC000354579101 291120027 /nfs/dbraw/zinc/12/00/27/291120027.db2.gz UECZTDNAXMKEKI-IPYPFGDCSA-N 2 0 310.482 2.863 20 0 DFADRP COC(=O)c1ccc2c(c1)[C@H]([NH2+]C[C@@H](C)C[NH+](C)C)CCC2 ZINC000594524480 398816189 /nfs/dbraw/zinc/81/61/89/398816189.db2.gz QPAMCJBAUHFLFG-CXAGYDPISA-N 2 0 304.434 2.638 20 0 DFADRP COC(=O)C[C@@H]1CC[C@H]([NH2+]C[C@H]2CCC[N@H+](CC(C)C)C2)[C@@H]1C ZINC000354571115 291122083 /nfs/dbraw/zinc/12/20/83/291122083.db2.gz LKHLSAAWQKCDCV-BDXSIMOUSA-N 2 0 324.509 2.922 20 0 DFADRP Clc1ccc(C[NH+]2CCC(C[NH+]3CCOCC3)CC2)cc1 ZINC000051958525 398828067 /nfs/dbraw/zinc/82/80/67/398828067.db2.gz XNLUAWKGABXOIR-UHFFFAOYSA-N 2 0 308.853 2.884 20 0 DFADRP Clc1cccc(C[NH+]2CCC(C[NH+]3CCOCC3)CC2)c1 ZINC000051957297 398828099 /nfs/dbraw/zinc/82/80/99/398828099.db2.gz KPZMBEACRJXPSE-UHFFFAOYSA-N 2 0 308.853 2.884 20 0 DFADRP C[C@H](C(=O)NC(C)(C)C)[NH+]1CCC(C[NH+]2CCC(C)CC2)CC1 ZINC000052184989 398834388 /nfs/dbraw/zinc/83/43/88/398834388.db2.gz VYWZMIKPKJUDIX-MRXNPFEDSA-N 2 0 323.525 2.734 20 0 DFADRP CC[C@@H]([NH3+])C(=O)NCc1ccc(C[NH+]2C[C@@H](C)C[C@H](C)C2)cc1 ZINC000130320887 398844017 /nfs/dbraw/zinc/84/40/17/398844017.db2.gz RRKSAPWGIXHVFE-RLFYNMQTSA-N 2 0 317.477 2.518 20 0 DFADRP C[C@@H]1C[C@H]([NH2+]CCCOCCOCc2ccccc2)CC[N@@H+]1C ZINC000180231662 199134291 /nfs/dbraw/zinc/13/42/91/199134291.db2.gz DKPMOLWIJGSOEV-IEBWSBKVSA-N 2 0 320.477 2.682 20 0 DFADRP C[NH2+]C[C@H](C)C(=O)NCc1ccccc1C[NH+]1CCCCCC1 ZINC000237332030 202234846 /nfs/dbraw/zinc/23/48/46/202234846.db2.gz KMCCJUGDCAERCX-INIZCTEOSA-N 2 0 317.477 2.534 20 0 DFADRP COC(=O)c1ccc(CN(C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)c(F)c1 ZINC000135687102 398872165 /nfs/dbraw/zinc/87/21/65/398872165.db2.gz SJWIORMEOKGGCM-SWLSCSKDSA-N 2 0 308.397 2.527 20 0 DFADRP COC(=O)[C@@H]1C[C@@H]1[C@H](C)[NH2+]CCCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000594926856 398873876 /nfs/dbraw/zinc/87/38/76/398873876.db2.gz WJNLUTGISNAPDS-SMLCLMEVSA-N 2 0 310.482 2.532 20 0 DFADRP C[C@H]1CC[C@H](C)[NH+]1CC(=O)NCC1([NH+](C)C)CCCCCC1 ZINC000468141407 299277273 /nfs/dbraw/zinc/27/72/73/299277273.db2.gz DGITYYGNSSTGRH-HOTGVXAUSA-N 2 0 309.498 2.630 20 0 DFADRP COC(=O)[C@@H]1C[C@H]1[C@H](C)[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000594935628 398875765 /nfs/dbraw/zinc/87/57/65/398875765.db2.gz GSAOADOEHDIRFT-RRQGHBQHSA-N 2 0 308.466 2.571 20 0 DFADRP C[C@@H](C[NH2+][C@@H](C)CCN1CC[NH+](C)CC1)c1ccc(F)cc1 ZINC000276245982 295971999 /nfs/dbraw/zinc/97/19/99/295971999.db2.gz OODGFOMERZDUOK-HOTGVXAUSA-N 2 0 307.457 2.545 20 0 DFADRP CC[C@@H](C)[C@@H](C)[NH2+]Cc1ccc(C(=O)NCC[NH+](C)C)cc1 ZINC000180998657 199238674 /nfs/dbraw/zinc/23/86/74/199238674.db2.gz XWXVHSOJQIRNNM-HUUCEWRRSA-N 2 0 305.466 2.502 20 0 DFADRP Cc1ncc(C[NH+]2CCC(OCC[NH+]3CCCC3)CC2)s1 ZINC000173951731 283391424 /nfs/dbraw/zinc/39/14/24/283391424.db2.gz PYXRITGWNFEFOQ-UHFFFAOYSA-N 2 0 309.479 2.528 20 0 DFADRP COC(=O)CC(C)(C)C[C@H](C)[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000595018849 398892798 /nfs/dbraw/zinc/89/27/98/398892798.db2.gz SYMQVVRBKSEUOD-AWEZNQCLSA-N 2 0 310.482 2.818 20 0 DFADRP CC[N@@H+]1CC[C@H]([NH2+]CC2(C(=O)OC(C)(C)C)CCC2)[C@H](C)C1 ZINC000595099530 398905431 /nfs/dbraw/zinc/90/54/31/398905431.db2.gz NJFWSHOXHSSWFI-CABCVRRESA-N 2 0 310.482 2.818 20 0 DFADRP CCOC(=O)C1CCC([NH2+]CC2CC[NH+](CC3CC3)CC2)CC1 ZINC000595101422 398905557 /nfs/dbraw/zinc/90/55/57/398905557.db2.gz FPFRFPWLNXNAJG-UHFFFAOYSA-N 2 0 322.493 2.820 20 0 DFADRP C[NH+]1CCC(O)(C[NH2+]Cc2cc(-c3ccccc3)cs2)CC1 ZINC000077450073 398904688 /nfs/dbraw/zinc/90/46/88/398904688.db2.gz LFVVGNWAUVMFTJ-UHFFFAOYSA-N 2 0 316.470 2.961 20 0 DFADRP CC[NH+]1CCC(NC(=O)C[N@@H+]2CCCCC[C@H]2CC(C)C)CC1 ZINC000077657424 398916734 /nfs/dbraw/zinc/91/67/34/398916734.db2.gz OBDRRGUEISKDBL-SFHVURJKSA-N 2 0 323.525 2.878 20 0 DFADRP C[C@H](CC(=O)NC1CC[NH+](C2CCCC2)CC1)C1CC[NH2+]CC1 ZINC000237598704 202298254 /nfs/dbraw/zinc/29/82/54/202298254.db2.gz WFWCEZYPEJOPLF-OAHLLOKOSA-N 2 0 321.509 2.535 20 0 DFADRP C[C@@H]1C[N@@H+](CCCC[NH2+]Cc2cccc(F)c2F)C[C@H](C)O1 ZINC000237668716 202322625 /nfs/dbraw/zinc/32/26/25/202322625.db2.gz FBFWVXXPRMPEOM-OKILXGFUSA-N 2 0 312.404 2.944 20 0 DFADRP [NH3+][C@@H]1CCC[C@@H](C(=O)Nc2ccc(CC[NH+]3CCCC3)cc2)C1 ZINC000237880049 202377093 /nfs/dbraw/zinc/37/70/93/202377093.db2.gz OCGSVNZGCJBWPB-IAGOWNOFSA-N 2 0 315.461 2.781 20 0 DFADRP C[NH+]1CCN(CCC[NH2+][C@@H]2CC[C@@H](Cc3ccccc3)C2)CC1 ZINC000189008262 200335103 /nfs/dbraw/zinc/33/51/03/200335103.db2.gz URHFEYYDTBGZOI-VQTJNVASSA-N 2 0 315.505 2.625 20 0 DFADRP O[C@H](C[NH+]1CCC(C[NH2+]Cc2cc[nH]c2)CC1)c1ccccc1 ZINC000238108996 202443814 /nfs/dbraw/zinc/44/38/14/202443814.db2.gz VCVFPAUGVKUZAX-LJQANCHMSA-N 2 0 313.445 2.550 20 0 DFADRP C[C@H]([NH2+]C[C@H](O)C[NH+]1CCC(C)CC1)[C@@H]1C[C@H]1c1cccs1 ZINC000417317960 296009675 /nfs/dbraw/zinc/00/96/75/296009675.db2.gz XTASAHFVZWUFPP-LUKYLMHMSA-N 2 0 322.518 2.923 20 0 DFADRP c1ccc2c(c1)[nH+]ccc2N1CCC[N@@H+](C2CCOCC2)CC1 ZINC000077990146 398933227 /nfs/dbraw/zinc/93/32/27/398933227.db2.gz ZBXKTDMHMURDHL-UHFFFAOYSA-N 2 0 311.429 2.926 20 0 DFADRP COCC[N@H+](C)CCC[NH2+][C@@H](C)c1ccc(OC)c(Cl)c1 ZINC000153748368 398937396 /nfs/dbraw/zinc/93/73/96/398937396.db2.gz CQVDYDXGMVUVRK-ZDUSSCGKSA-N 2 0 314.857 2.968 20 0 DFADRP C[C@@H](Cc1ccccc1)[NH+]1CCC([NH2+][C@H]2C[C@@](C)(O)C2)CC1 ZINC000417400477 296016845 /nfs/dbraw/zinc/01/68/45/296016845.db2.gz KBNAVYLBHOEFBT-ZYSHUDEJSA-N 2 0 302.462 2.585 20 0 DFADRP COC(=O)CCCC[N@@H+]1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000599277295 398946479 /nfs/dbraw/zinc/94/64/79/398946479.db2.gz LCYZZKUMJCZUQJ-KRWDZBQOSA-N 2 0 310.482 2.774 20 0 DFADRP C[NH+](C)CC(C)(C)CNC(=O)C1CC[NH+](CC2CCCC2)CC1 ZINC000157499802 398953787 /nfs/dbraw/zinc/95/37/87/398953787.db2.gz VWKOUVCMDSTZKI-UHFFFAOYSA-N 2 0 323.525 2.593 20 0 DFADRP CC[NH+](CC)Cc1cccc(CNC(=O)[C@@H]2CCCC[N@@H+]2C)c1 ZINC000599322740 398954066 /nfs/dbraw/zinc/95/40/66/398954066.db2.gz JCGXRVZVMFJOHO-SFHVURJKSA-N 2 0 317.477 2.629 20 0 DFADRP C[C@@H]1C[C@H](C)C[N@@H+](CCC[NH2+]C2CCN(CC(F)F)CC2)C1 ZINC000158658066 398959344 /nfs/dbraw/zinc/95/93/44/398959344.db2.gz OVBRHDCNFYAUKM-GASCZTMLSA-N 2 0 317.468 2.674 20 0 DFADRP C[C@@H]([NH2+]CC1=CC[N@H+](C)CC1)c1ccc(N2CCCC2=O)cc1 ZINC000271901792 209310619 /nfs/dbraw/zinc/31/06/19/209310619.db2.gz VUXUBLVDJVCAMB-OAHLLOKOSA-N 2 0 313.445 2.726 20 0 DFADRP C[C@@H]([NH3+])[C@H](C)C(=O)NCc1ccccc1C[NH+]1CCCCCC1 ZINC000192105372 200818849 /nfs/dbraw/zinc/81/88/49/200818849.db2.gz GXVZFDIMYIBATK-JKSUJKDBSA-N 2 0 317.477 2.662 20 0 DFADRP COc1cccc2cc([C@H](C)[NH2+]CC3(O)CC[NH+](C)CC3)oc21 ZINC000271898456 209306842 /nfs/dbraw/zinc/30/68/42/209306842.db2.gz UWMCZZZCAMUYDR-ZDUSSCGKSA-N 2 0 318.417 2.549 20 0 DFADRP C[C@H]1COCC[C@H]1[NH2+]CC1CC[NH+](Cc2ccccc2)CC1 ZINC000192503096 200890794 /nfs/dbraw/zinc/89/07/94/200890794.db2.gz UGXLTPMXILMEIO-QFBILLFUSA-N 2 0 302.462 2.913 20 0 DFADRP CC[C@@H](C(=O)OC)[NH+]1CCC(Cc2nc3ccccc3[nH]2)CC1 ZINC000595552522 398967456 /nfs/dbraw/zinc/96/74/56/398967456.db2.gz XWYSGJSDACJRGE-INIZCTEOSA-N 2 0 315.417 2.769 20 0 DFADRP C[C@@H]1C[C@@H](C)C[NH+](CC2(C[NH+]3C[C@H](C)C[C@@H](C)C3)COC2)C1 ZINC000246795527 283637020 /nfs/dbraw/zinc/63/70/20/283637020.db2.gz PFQFHBYITXJHGN-BRSBDYLESA-N 2 0 308.510 2.959 20 0 DFADRP Cc1ccc(C[NH+]2CCSCC2)cc1NC(=O)CC[C@H](C)[NH3+] ZINC000193307614 201025577 /nfs/dbraw/zinc/02/55/77/201025577.db2.gz LRVBUXSCDHTLDG-AWEZNQCLSA-N 2 0 321.490 2.610 20 0 DFADRP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccc3c(c2)ncn3C)[C@H](C)C1 ZINC000271882571 209291428 /nfs/dbraw/zinc/29/14/28/209291428.db2.gz VMLKWHQZMUEKPZ-RHSMWYFYSA-N 2 0 300.450 2.735 20 0 DFADRP COC(=O)[C@](C)(C[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1)c1ccccc1 ZINC000600150592 398972418 /nfs/dbraw/zinc/97/24/18/398972418.db2.gz FDHDPVPMYQHFLL-QFBILLFUSA-N 2 0 318.461 2.580 20 0 DFADRP O[C@@H]1CC[C@@H](C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC000193349155 201034856 /nfs/dbraw/zinc/03/48/56/201034856.db2.gz UVUYSVDQSNTNHD-DZJYIKFMSA-N 2 0 314.473 2.933 20 0 DFADRP CCC[NH+]1CCC(C[NH2+][C@H](C)c2cc(C(=O)OC)co2)CC1 ZINC000447534835 297307137 /nfs/dbraw/zinc/30/71/37/297307137.db2.gz AIOBBUBMCQKCAO-CYBMUJFWSA-N 2 0 308.422 2.839 20 0 DFADRP Cc1cccc(NC(=O)C[NH+]2CCC(CC[NH+](C)C)CC2)c1C ZINC000056522368 398975875 /nfs/dbraw/zinc/97/58/75/398975875.db2.gz WZERKXPLISRUOM-UHFFFAOYSA-N 2 0 317.477 2.906 20 0 DFADRP CC[C@@H]1CCCCN1C(=O)[C@@H](C)[NH+]1CCC(CC[NH+](C)C)CC1 ZINC000056524627 398977784 /nfs/dbraw/zinc/97/77/84/398977784.db2.gz XDUDSNGNMCMXMS-SJLPKXTDSA-N 2 0 323.525 2.830 20 0 DFADRP C[C@H](C[NH+]1CCN([C@H]2CCC[N@H+](C)C2)CC1)c1ccccc1 ZINC000604885262 398980116 /nfs/dbraw/zinc/98/01/16/398980116.db2.gz UPGNNULJAPXHAW-MJGOQNOKSA-N 2 0 301.478 2.502 20 0 DFADRP Cc1nccn1[C@H]1CCCN(Cc2noc3c2CCCC3)C1 ZINC000595577552 398981233 /nfs/dbraw/zinc/98/12/33/398981233.db2.gz SCGIBCFXCBCBKS-AWEZNQCLSA-N 2 0 300.406 2.895 20 0 DFADRP CCC(CC)(CNC(=O)N[C@H](C)C[NH3+])[NH2+][C@H](C)c1ccccc1 ZINC000417710781 296043118 /nfs/dbraw/zinc/04/31/18/296043118.db2.gz VDEXRQXKYVKANF-HUUCEWRRSA-N 2 0 320.481 2.542 20 0 DFADRP C[C@@H](NC(=O)CC1CC[NH+](C)CC1)[C@H](c1ccccc1)[NH+](C)C ZINC000291623096 296044166 /nfs/dbraw/zinc/04/41/66/296044166.db2.gz HBFCNFCVKXARMC-DNVCBOLYSA-N 2 0 317.477 2.526 20 0 DFADRP Cc1ccc(C[NH2+]CCN2CCC([NH+](C)C)CC2)cc1Cl ZINC000195445310 201390502 /nfs/dbraw/zinc/39/05/02/201390502.db2.gz WEABJNKQSHMWTL-UHFFFAOYSA-N 2 0 309.885 2.764 20 0 DFADRP CC(C)(C(=O)NC[C@H]([NH3+])c1ccccc1)[C@H]([NH3+])c1ccccc1 ZINC000417802178 296052601 /nfs/dbraw/zinc/05/26/01/296052601.db2.gz VFJRTCREOWDIML-DLBZAZTESA-N 2 0 311.429 2.529 20 0 DFADRP C[NH2+][C@H](CC(C)(C)C)C(=O)N[C@@H](CCC[NH3+])c1ccccc1 ZINC000417830742 296055715 /nfs/dbraw/zinc/05/57/15/296055715.db2.gz JXHNPIFTDYCVPK-JKSUJKDBSA-N 2 0 305.466 2.607 20 0 DFADRP C[N@H+]1CC=C(C[NH2+]C2CCN(c3ccc(F)cc3F)CC2)CC1 ZINC000271836459 209255169 /nfs/dbraw/zinc/25/51/69/209255169.db2.gz FYRWOXQZPREBHT-UHFFFAOYSA-N 2 0 321.415 2.785 20 0 DFADRP C[NH+](C)C1(CNC(=O)CC[C@H]2CCC[NH2+]C2)CCCCCC1 ZINC000621641528 399006121 /nfs/dbraw/zinc/00/61/21/399006121.db2.gz NAUIKHJDKXQXFC-MRXNPFEDSA-N 2 0 309.498 2.537 20 0 DFADRP CCC[C@@H](C)C[N@H+](C)C[C@@H]1C[C@H](F)CN1Cc1nccn1C ZINC000475086181 299342464 /nfs/dbraw/zinc/34/24/64/299342464.db2.gz LJYKJUJBYZAYRR-PMPSAXMXSA-N 2 0 310.461 2.701 20 0 DFADRP Cc1cc(C[NH2+]C2CCC([NH+]3CCC(C)CC3)CC2)n(C)n1 ZINC000417952479 296066194 /nfs/dbraw/zinc/06/61/94/296066194.db2.gz OIKDCPUIBYVEQH-UHFFFAOYSA-N 2 0 304.482 2.861 20 0 DFADRP COc1ccc([C@@H]([NH2+][C@@H](C)CN2CC[NH+](C)CC2)C(C)C)cc1 ZINC000091334707 193041734 /nfs/dbraw/zinc/04/17/34/193041734.db2.gz CDJBZKAFDAHSAU-LPHOPBHVSA-N 2 0 319.493 2.618 20 0 DFADRP COc1ccc([C@@H]([NH2+]C[C@H](C)N2CC[NH+](C)CC2)C(C)C)cc1 ZINC000091333360 193041930 /nfs/dbraw/zinc/04/19/30/193041930.db2.gz CTNHZKJWMPGMNJ-LPHOPBHVSA-N 2 0 319.493 2.618 20 0 DFADRP COc1ccc([C@H]([NH2+][C@@H](C)CN2CC[NH+](C)CC2)C(C)C)cc1 ZINC000091334708 193042626 /nfs/dbraw/zinc/04/26/26/193042626.db2.gz CDJBZKAFDAHSAU-QFBILLFUSA-N 2 0 319.493 2.618 20 0 DFADRP CCC[C@H](C(=O)Nc1cccc(CC[NH+]2CCCC2)c1)[NH+](C)C ZINC000091787976 193108553 /nfs/dbraw/zinc/10/85/53/193108553.db2.gz ILSIFXZKBXJFJK-GOSISDBHSA-N 2 0 317.477 2.994 20 0 DFADRP Cc1nccnc1C[NH+]1CCC(C[NH+]2CCCCCC2)CC1 ZINC000621711208 399037047 /nfs/dbraw/zinc/03/70/47/399037047.db2.gz JUOIFOWBQWXHFQ-UHFFFAOYSA-N 2 0 302.466 2.873 20 0 DFADRP COC(=O)[C@@H]1CC[N@H+](CCC[NH+]2CCCCC2)[C@H]2CCC[C@H]21 ZINC000599653082 399044718 /nfs/dbraw/zinc/04/47/18/399044718.db2.gz IUSGPXOWSRMGPH-BBWFWOEESA-N 2 0 308.466 2.526 20 0 DFADRP CCN(Cc1ccc(C[NH+](C)C)cc1)[C@@H](C(=O)OC)C1CC1 ZINC000599659146 399048672 /nfs/dbraw/zinc/04/86/72/399048672.db2.gz DBPNHNRCQVZMGA-QGZVFWFLSA-N 2 0 304.434 2.522 20 0 DFADRP C[C@H]([NH2+][C@@H]1CCCC[C@H]1O)c1ccc(OCC[NH+](C)C)cc1 ZINC000186803702 299371211 /nfs/dbraw/zinc/37/12/11/299371211.db2.gz GQGNPCKNDMUMLB-BMGDILEWSA-N 2 0 306.450 2.581 20 0 DFADRP CC(=O)N1CC[C@H]([NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)c2ccccc21 ZINC000621749882 399066520 /nfs/dbraw/zinc/06/65/20/399066520.db2.gz DRGWTBWUJDKMTI-QAPCUYQASA-N 2 0 313.445 2.558 20 0 DFADRP CC(=O)N1CC[C@@H]([NH2+]Cc2ccc3c[nH+]cn3c2)c2ccccc21 ZINC000621763338 399071709 /nfs/dbraw/zinc/07/17/09/399071709.db2.gz WERNUTIQVULDDU-GOSISDBHSA-N 2 0 320.396 2.922 20 0 DFADRP CC(C)C[C@@H](CNC1=[NH+]CCCN1)[NH2+][C@H](C)c1ccccc1 ZINC000479290769 299374650 /nfs/dbraw/zinc/37/46/50/299374650.db2.gz SYACNSQYTVFHNH-WBVHZDCISA-N 2 0 302.466 2.691 20 0 DFADRP CCC[N@H+](CC)Cc1ccc(C(=O)N[C@@H]2C[NH2+]CC[C@H]2C)cc1 ZINC000275188055 212183414 /nfs/dbraw/zinc/18/34/14/212183414.db2.gz YRBZZTLVZHVISI-CRAIPNDOSA-N 2 0 317.477 2.646 20 0 DFADRP CN1CCC([N@H+](CCO)Cc2cc3ccccc3s2)CC1 ZINC000305225651 284043083 /nfs/dbraw/zinc/04/30/83/284043083.db2.gz VRHXHQVHSBOFTA-UHFFFAOYSA-N 2 0 304.459 2.790 20 0 DFADRP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]C[C@@H](c1ccccc1)C(C)(C)CO ZINC000305770066 284051889 /nfs/dbraw/zinc/05/18/89/284051889.db2.gz NGYHKMHYYKQSLX-BPQIPLTHSA-N 2 0 304.478 2.719 20 0 DFADRP CC(C)[NH+](CCNC(=O)NCC[NH+](C(C)C)C(C)C)C(C)C ZINC000058614795 399089856 /nfs/dbraw/zinc/08/98/56/399089856.db2.gz UEQPZDCFFTXWAI-UHFFFAOYSA-N 2 0 314.518 2.523 20 0 DFADRP Cn1nccc1C[NH+]1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC000093006835 193193314 /nfs/dbraw/zinc/19/33/14/193193314.db2.gz KDNWIZNKWZLUMO-UHFFFAOYSA-N 2 0 312.461 2.764 20 0 DFADRP CC[NH+](CC)Cc1ccccc1CNC(=O)C[C@@H]1CCC[C@H]1[NH3+] ZINC000261695158 203095969 /nfs/dbraw/zinc/09/59/69/203095969.db2.gz HXPJOZDFKPYHSU-MAUKXSAKSA-N 2 0 317.477 2.662 20 0 DFADRP C[C@H]1CCCC[N@@H+]1Cc1ccc(NC(=O)[C@H]2CCC[NH2+]2)cc1 ZINC000261715560 203099869 /nfs/dbraw/zinc/09/98/69/203099869.db2.gz MVJUXCPAHFLLTF-WMLDXEAASA-N 2 0 301.434 2.752 20 0 DFADRP C[C@H](CNC(=O)[C@H](C)[C@H]([NH3+])c1ccccc1)C[NH+]1CCCCC1 ZINC000261851152 203133986 /nfs/dbraw/zinc/13/39/86/203133986.db2.gz ZYYWFMIONKMLDV-NUJGCVRESA-N 2 0 317.477 2.561 20 0 DFADRP C[C@H]([NH2+][C@@H]1C[C@@H](C)[N@H+](C)C[C@@H]1C)c1ccc(NC(N)=O)cc1 ZINC000249309241 299398996 /nfs/dbraw/zinc/39/89/96/299398996.db2.gz KTWNSCDYSKBKOB-RSUWNVLCSA-N 2 0 304.438 2.557 20 0 DFADRP Cc1ncccc1OC[C@H]1CCC[NH+]1CC[C@@H]1CCC[N@H+]1C ZINC000419384637 296138350 /nfs/dbraw/zinc/13/83/50/296138350.db2.gz GQMMJIMGQFPSCE-DLBZAZTESA-N 2 0 303.450 2.718 20 0 DFADRP C[C@H]1CCC[N@H+](Cc2ccc(NC(=O)[C@H]3CCC[NH2+]3)cc2)C1 ZINC000262099509 203198899 /nfs/dbraw/zinc/19/88/99/203198899.db2.gz ZEABPLVSIGIZLD-WMLDXEAASA-N 2 0 301.434 2.609 20 0 DFADRP CC[NH+]1CCN([C@H]2CC[N@H+](C/C(C)=C/c3ccccc3)C2)CC1 ZINC000093133073 193206097 /nfs/dbraw/zinc/20/60/97/193206097.db2.gz OLEZVVARVHRXPV-POLXVDLBSA-N 2 0 313.489 2.802 20 0 DFADRP CC[NH+](CC)Cc1cccc(NC(=O)CC[C@H]2CC[NH2+]C2)c1 ZINC000262364205 203273800 /nfs/dbraw/zinc/27/38/00/203273800.db2.gz WTMWRTSGWPTUHF-HNNXBMFYSA-N 2 0 303.450 2.857 20 0 DFADRP Cc1cccnc1C[NH+]1CCC(C[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000093170965 193210343 /nfs/dbraw/zinc/21/03/43/193210343.db2.gz LPZGCICKHSUFIN-IRXDYDNUSA-N 2 0 317.477 2.711 20 0 DFADRP CC(C)(C)C(=O)N1CCC([NH2+]CCCCC[NH+]2CCCC2)CC1 ZINC000339500029 284143474 /nfs/dbraw/zinc/14/34/74/284143474.db2.gz LGJHOWLJTPNWIC-UHFFFAOYSA-N 2 0 323.525 2.879 20 0 DFADRP OCC[NH+]1CCC(C[NH2+]Cc2ccc(C3CCC3)cc2)CC1 ZINC000339236853 284142020 /nfs/dbraw/zinc/14/20/20/284142020.db2.gz MOUDBAHNPSDTQE-UHFFFAOYSA-N 2 0 302.462 2.748 20 0 DFADRP CC(C)c1ccc([C@@H]([NH3+])CNC(=O)c2ccc(C[NH3+])cc2)cc1 ZINC000262447201 203297788 /nfs/dbraw/zinc/29/77/88/203297788.db2.gz PMSCOIHWBCRWCM-SFHVURJKSA-N 2 0 311.429 2.699 20 0 DFADRP CCC(CC)(CNC(=O)[C@H](C)[C@@H](C)[NH3+])[NH2+][C@H](C)c1ccccc1 ZINC000262511779 203314715 /nfs/dbraw/zinc/31/47/15/203314715.db2.gz DKZAXLRTBKVMQJ-BZUAXINKSA-N 2 0 319.493 2.996 20 0 DFADRP CCC(CC)(CNC(=O)[C@H](C)[C@H](C)[NH3+])[NH2+][C@H](C)c1ccccc1 ZINC000262511782 203314737 /nfs/dbraw/zinc/31/47/37/203314737.db2.gz DKZAXLRTBKVMQJ-OWCLPIDISA-N 2 0 319.493 2.996 20 0 DFADRP CN(CC(C)(C)C[NH3+])C(=O)c1oc2ccccc2c1C[NH+](C)C ZINC000262582164 203338316 /nfs/dbraw/zinc/33/83/16/203338316.db2.gz KUPKEEXKKKAEFV-UHFFFAOYSA-N 2 0 317.433 2.551 20 0 DFADRP C[C@H]([NH2+]C(C)(C)CNC(=O)C1([NH3+])CCCCC1)c1ccccc1 ZINC000262642127 203361957 /nfs/dbraw/zinc/36/19/57/203361957.db2.gz LGPWVPUXDUQCQE-HNNXBMFYSA-N 2 0 317.477 2.894 20 0 DFADRP Cc1ccc([C@@H]([NH3+])C(=O)NCCCC[N@H+]2CCCC[C@@H]2C)cc1 ZINC000262647006 203363903 /nfs/dbraw/zinc/36/39/03/203363903.db2.gz KGHCUOHUSQLLFM-FUHWJXTLSA-N 2 0 317.477 2.766 20 0 DFADRP CC[C@H]([NH2+]CCCN1CC[NH+](C)CC1)c1cc(C)ccc1OC ZINC000093370494 193239616 /nfs/dbraw/zinc/23/96/16/193239616.db2.gz OFMSRALQPXUAPZ-SFHVURJKSA-N 2 0 319.493 2.682 20 0 DFADRP CC[C@@H]([NH2+]CCCN1CC[NH+](C)CC1)c1cc(C)ccc1OC ZINC000093370495 193239619 /nfs/dbraw/zinc/23/96/19/193239619.db2.gz OFMSRALQPXUAPZ-GOSISDBHSA-N 2 0 319.493 2.682 20 0 DFADRP C[C@@H]([NH2+]C(C)(C)CNC(=O)[C@@H]([NH3+])C(C)(C)C)c1ccccc1 ZINC000262654147 203366485 /nfs/dbraw/zinc/36/64/85/203366485.db2.gz STZVRRUCFUKJSX-UKRRQHHQSA-N 2 0 305.466 2.605 20 0 DFADRP Cc1ccc([C@H]([NH3+])C(=O)NCCCC[NH+]2CCC(C)CC2)cc1 ZINC000262659632 203369247 /nfs/dbraw/zinc/36/92/47/203369247.db2.gz NHABOGAZOOYMND-SFHVURJKSA-N 2 0 317.477 2.623 20 0 DFADRP C[NH+](C)CCCC1CC[NH+](Cc2cccc3c2OCO3)CC1 ZINC000093688441 193289596 /nfs/dbraw/zinc/28/95/96/193289596.db2.gz YGRCGOUDHNQKOY-UHFFFAOYSA-N 2 0 304.434 2.969 20 0 DFADRP CN(C)c1ncc(CNCc2cc(C3CC3)ccc2F)n1C ZINC000419713110 296147528 /nfs/dbraw/zinc/14/75/28/296147528.db2.gz QHMUZZFANCAYKD-UHFFFAOYSA-N 2 0 302.397 2.792 20 0 DFADRP C[C@@H]([NH2+]C1CCC(O)CC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000274925762 212037914 /nfs/dbraw/zinc/03/79/14/212037914.db2.gz PUAXHTIDCGBMRS-SVUBNXHSSA-N 2 0 302.462 2.790 20 0 DFADRP COC(=O)c1cc(C[N@@H+]2CCC[C@@H](C)[C@H]2CCC[NH3+])cs1 ZINC000595911700 399132722 /nfs/dbraw/zinc/13/27/22/399132722.db2.gz VPKYNGUKFCVGOY-TZMCWYRMSA-N 2 0 310.463 2.874 20 0 DFADRP C[C@@H](C[NH+]1CCCCCC1)NC(=O)C1(C[NH+](C)C)CCCCC1 ZINC000483966582 299415163 /nfs/dbraw/zinc/41/51/63/299415163.db2.gz WOOGVEHVCVVSBR-KRWDZBQOSA-N 2 0 323.525 2.879 20 0 DFADRP CCOc1cc2[nH+]ccc(N3CC[C@@H]([NH2+]C)C3)c2cc1OCC ZINC000420171754 296160344 /nfs/dbraw/zinc/16/03/44/296160344.db2.gz SISUJIJKDUAQDO-CYBMUJFWSA-N 2 0 315.417 2.830 20 0 DFADRP CC[NH+](CC)[C@@H](C(=O)N(C)CCCC[NH+](C)C)c1ccccc1 ZINC000607036520 399136874 /nfs/dbraw/zinc/13/68/74/399136874.db2.gz SNBHZEZLOYHJQV-GOSISDBHSA-N 2 0 319.493 2.870 20 0 DFADRP COc1cc2c(cc1F)[nH+]ccc2N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000420202851 296162009 /nfs/dbraw/zinc/16/20/09/296162009.db2.gz PUFUHPDSEVPKCS-NEPJUHHUSA-N 2 0 301.365 2.713 20 0 DFADRP CC[NH+]1CCN([C@@H]2CC[N@H+](C[C@H](C)c3ccc(C)cc3)C2)CC1 ZINC000600117269 399141726 /nfs/dbraw/zinc/14/17/26/399141726.db2.gz KGPHQSHKXSKASE-AZUAARDMSA-N 2 0 315.505 2.810 20 0 DFADRP CCC[C@@H]1C[NH2+]CCN1c1cc[nH+]c2cc(F)c(OC)cc21 ZINC000420230553 296164111 /nfs/dbraw/zinc/16/41/11/296164111.db2.gz IWEGXQRXBYLGOY-GFCCVEGCSA-N 2 0 303.381 2.961 20 0 DFADRP CCOc1cc2[nH+]ccc(N(C)CC[NH2+]C)c2cc1OCC ZINC000420224810 296163556 /nfs/dbraw/zinc/16/35/56/296163556.db2.gz GWASUUOWZGPYBW-UHFFFAOYSA-N 2 0 303.406 2.688 20 0 DFADRP CCOc1cc2[nH+]ccc(N3CC[C@H]([NH3+])[C@@H]3C)c2cc1OCC ZINC000420246799 296165438 /nfs/dbraw/zinc/16/54/38/296165438.db2.gz GHUUUZZDYQUENN-JSGCOSHPSA-N 2 0 315.417 2.958 20 0 DFADRP COc1cc2c(cc1F)[nH+]ccc2N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000420254877 296166193 /nfs/dbraw/zinc/16/61/93/296166193.db2.gz DTZKCSSCRZXKEP-BETUJISGSA-N 2 0 315.392 2.818 20 0 DFADRP CCOC(=O)c1cnc2ccc(C)cc2c1N1C[C@@H](C)[C@@H]([NH3+])C1 ZINC000420278769 296168585 /nfs/dbraw/zinc/16/85/85/296168585.db2.gz OJMVDQPQEGTTQK-DOMZBBRYSA-N 2 0 313.401 2.503 20 0 DFADRP C[NH2+]CC1CC[NH+]([C@H](C)C(=O)Nc2cc(C)cc(C)c2)CC1 ZINC000420283204 296169185 /nfs/dbraw/zinc/16/91/85/296169185.db2.gz BXTDCEWVNOETPV-OAHLLOKOSA-N 2 0 303.450 2.562 20 0 DFADRP COCc1cc(N2CC[C@@H](C)[C@@H](C[NH3+])C2)c2cc(F)ccc2n1 ZINC000420285373 296169455 /nfs/dbraw/zinc/16/94/55/296169455.db2.gz OWDFWBQIWIWJCM-OLZOCXBDSA-N 2 0 317.408 2.941 20 0 DFADRP COc1ccc(-c2noc([C@H](C)N(C)CC(C)(C)C[NH3+])n2)cc1 ZINC000420293355 296170041 /nfs/dbraw/zinc/17/00/41/296170041.db2.gz QTYZDXMVGOCFRA-LBPRGKRZSA-N 2 0 318.421 2.723 20 0 DFADRP O=C(Nc1ccccc1)C1CC[NH+](CC[C@@H]2CCC[NH2+]C2)CC1 ZINC000420295841 296170442 /nfs/dbraw/zinc/17/04/42/296170442.db2.gz AZKFXKWCVYMPID-INIZCTEOSA-N 2 0 315.461 2.727 20 0 DFADRP COc1ccc([C@@H](C[NH3+])C[N@@H+]2CCc3sccc3C2)cc1 ZINC000420295881 296170588 /nfs/dbraw/zinc/17/05/88/296170588.db2.gz BCBCEMQCRMHWSC-HNNXBMFYSA-N 2 0 302.443 2.857 20 0 DFADRP C[C@H]1CN(Cc2ccn(-c3ccc(Cl)cc3)n2)CC[C@@H]1[NH3+] ZINC000420292328 296170287 /nfs/dbraw/zinc/17/02/87/296170287.db2.gz PGVQTRPKFIRRTK-LRDDRELGSA-N 2 0 304.825 2.695 20 0 DFADRP CC(C)(C)OC(=O)[C@H](C[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1)C1CCC1 ZINC000596062546 399160284 /nfs/dbraw/zinc/16/02/84/399160284.db2.gz HVJBBKMWSGIMDP-BRWVUGGUSA-N 2 0 322.493 2.961 20 0 DFADRP CC(C)(C)OC(=O)[C@H](C[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1)C1CCC1 ZINC000596062550 399159913 /nfs/dbraw/zinc/15/99/13/399159913.db2.gz HVJBBKMWSGIMDP-YESZJQIVSA-N 2 0 322.493 2.961 20 0 DFADRP C[C@H](c1ccc(Cl)cc1)[C@H](C)[N@H+](C)CCN1CC[NH2+]CC1 ZINC000420301548 296171852 /nfs/dbraw/zinc/17/18/52/296171852.db2.gz LKYKZFSWIGNRDG-GJZGRUSLSA-N 2 0 309.885 2.669 20 0 DFADRP FC(F)(F)c1cc([C@H]2CCC[N@H+](CC[C@H]3CC[NH2+]C3)C2)[nH]n1 ZINC000420302107 296171913 /nfs/dbraw/zinc/17/19/13/296171913.db2.gz MDDHSAQJNYOOKK-NEPJUHHUSA-N 2 0 316.371 2.608 20 0 DFADRP Fc1ccc(F)c(C[N@H+](CCN2CC[NH2+]CC2)C2CCCC2)c1 ZINC000420303950 296172032 /nfs/dbraw/zinc/17/20/32/296172032.db2.gz OBEYGQXCIYFHIX-UHFFFAOYSA-N 2 0 323.431 2.615 20 0 DFADRP c1csc(C[N@@H+](CC[C@H]2CCCO2)[C@@H]2CC23CC[NH2+]CC3)n1 ZINC000420309462 296172806 /nfs/dbraw/zinc/17/28/06/296172806.db2.gz LLXDKCISHAWKOY-HUUCEWRRSA-N 2 0 321.490 2.656 20 0 DFADRP [NH3+]C[C@H](Cc1ccccc1)[C@H]1CCCC[N@@H+]1CC[C@@H]1CC[NH2+]C1 ZINC000420307898 296172870 /nfs/dbraw/zinc/17/28/70/296172870.db2.gz JCUHMGYBUGKNKU-SLFFLAALSA-N 3 0 315.505 2.658 20 0 DFADRP Cc1c(Br)cccc1CN1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000420309352 296172924 /nfs/dbraw/zinc/17/29/24/296172924.db2.gz FDTPUBSZULCPDH-ZFWWWQNUSA-N 2 0 309.251 2.941 20 0 DFADRP O=C(Nc1ccccc1)[C@H]1CCC[N@H+](CC[C@H]2CCC[NH2+]C2)C1 ZINC000420303477 296172268 /nfs/dbraw/zinc/17/22/68/296172268.db2.gz KKDWCRAILGOYPE-SJORKVTESA-N 2 0 315.461 2.727 20 0 DFADRP COC(=O)c1ccccc1C[N@H+](CCC[NH3+])CC1CCCC1 ZINC000420311754 296173181 /nfs/dbraw/zinc/17/31/81/296173181.db2.gz HRPOEHXNXCLCPQ-UHFFFAOYSA-N 2 0 304.434 2.814 20 0 DFADRP c1c2ccccc2[nH]c1[C@H]1CCCC[N@H+]1CCN1CC[NH2+]CC1 ZINC000420310971 296173316 /nfs/dbraw/zinc/17/33/16/296173316.db2.gz VORTXGUVIDMAJL-LJQANCHMSA-N 2 0 312.461 2.600 20 0 DFADRP C[C@@H]([NH3+])CN1CCC[N@H+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000420314141 296173828 /nfs/dbraw/zinc/17/38/28/296173828.db2.gz YWOBAORTRVNZCK-CYBMUJFWSA-N 2 0 315.383 2.560 20 0 DFADRP CCCCNC(=O)C1([NH2+]CC[C@@H]2CCC[NH2+]C2)CCCCC1 ZINC000420308068 296173041 /nfs/dbraw/zinc/17/30/41/296173041.db2.gz RXZMBJQXKHEUCG-INIZCTEOSA-N 2 0 309.498 2.585 20 0 DFADRP CCOc1cc2c(cc1OCC)C[N@H+](CC[C@@H]1CC[NH2+]C1)CC2 ZINC000420320006 296174631 /nfs/dbraw/zinc/17/46/31/296174631.db2.gz PZHJAYVXFKRPAP-HNNXBMFYSA-N 2 0 318.461 2.842 20 0 DFADRP c1cc2c(cc1[C@H]1CCC[N@H+]1CC[C@H]1CCC[NH2+]C1)OCCO2 ZINC000420316037 296174033 /nfs/dbraw/zinc/17/40/33/296174033.db2.gz MFRAWUYWBPHUPV-NVXWUHKLSA-N 2 0 316.445 2.984 20 0 DFADRP [NH3+][C@@H]1CCO[C@H]1C1CC[NH+](C[C@@H]2CCCC(F)(F)C2)CC1 ZINC000420322616 296174992 /nfs/dbraw/zinc/17/49/92/296174992.db2.gz AOFAUDYLGXWHMI-YUELXQCFSA-N 2 0 302.409 2.640 20 0 DFADRP Cc1ccccc1CCC[NH+]1CCC([C@@H]2OCC[C@H]2[NH3+])CC1 ZINC000420324628 296175157 /nfs/dbraw/zinc/17/51/57/296175157.db2.gz CDARJSYBRFYTSR-MOPGFXCFSA-N 2 0 302.462 2.756 20 0 DFADRP COc1ccc([C@@H](C[NH3+])C[N@H+](C)CCOc2ccccc2)cc1 ZINC000420323981 296175473 /nfs/dbraw/zinc/17/54/73/296175473.db2.gz UUPAZUMYFYZYQP-KRWDZBQOSA-N 2 0 314.429 2.748 20 0 DFADRP c1ccc2nc(N3CC[NH+](CC[C@H]4CCC[NH2+]C4)CC3)ccc2c1 ZINC000420322090 296174813 /nfs/dbraw/zinc/17/48/13/296174813.db2.gz SEZIRTFAVRUVPM-QGZVFWFLSA-N 2 0 324.472 2.747 20 0 DFADRP CC[NH+](CC)CCOC1CC[NH+]([C@@H](C)c2cccnc2)CC1 ZINC000080645754 399166274 /nfs/dbraw/zinc/16/62/74/399166274.db2.gz NUFAVFLUSGXHAW-INIZCTEOSA-N 2 0 305.466 2.965 20 0 DFADRP C[C@H](C(=O)Nc1ccccc1Cl)[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000420335580 296176677 /nfs/dbraw/zinc/17/66/77/296176677.db2.gz LRDZOETXFZBPEV-MCIONIFRSA-N 2 0 321.852 2.598 20 0 DFADRP COc1cccc(CCC[N@@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)c1 ZINC000420326673 296175790 /nfs/dbraw/zinc/17/57/90/296175790.db2.gz KFDZMLDJCFEREZ-QZTJIDSGSA-N 2 0 302.462 2.949 20 0 DFADRP CCC[NH+]1CCC(N(C)C[C@H](C[NH3+])c2ccc(OC)cc2)CC1 ZINC000420325432 296175849 /nfs/dbraw/zinc/17/58/49/296175849.db2.gz WKRRMQSRLJPPJR-KRWDZBQOSA-N 2 0 319.493 2.544 20 0 DFADRP C[C@@H](C(=O)Nc1ccc(Cl)cc1)[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000420328164 296175995 /nfs/dbraw/zinc/17/59/95/296175995.db2.gz DWPFVIDOPQRVIM-MELADBBJSA-N 2 0 321.852 2.598 20 0 DFADRP CCCCN(CCCC)C(=O)C[N@@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000420335955 296177179 /nfs/dbraw/zinc/17/71/79/296177179.db2.gz IGCJDRCSDKLBDM-ROUUACIJSA-N 2 0 323.525 2.737 20 0 DFADRP [NH3+]C[C@@H]1C[N@@H+]([C@H]2CCCc3ccccc32)CC12CCOCC2 ZINC000420336657 296177189 /nfs/dbraw/zinc/17/71/89/296177189.db2.gz WCCLJPQBJKGJPK-AEFFLSMTSA-N 2 0 300.446 2.751 20 0 DFADRP CCCCN(CCCC)C(=O)C[N@@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420335953 296177222 /nfs/dbraw/zinc/17/72/22/296177222.db2.gz IGCJDRCSDKLBDM-QZTJIDSGSA-N 2 0 323.525 2.737 20 0 DFADRP C[C@H](C(=O)N[C@H]1CCCC[C@H]1C)[NH+]1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000420336674 296177275 /nfs/dbraw/zinc/17/72/75/296177275.db2.gz IZFGDNHPQHPLSB-XYVMCAHJSA-N 2 0 321.509 2.534 20 0 DFADRP C[C@H](C(=O)NC1CCC(C)CC1)[NH+]1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000420334489 296176686 /nfs/dbraw/zinc/17/66/86/296176686.db2.gz GNAZQOLXWXHOKN-NRLXWARBSA-N 2 0 321.509 2.534 20 0 DFADRP CCc1ccccc1NC(=O)C[N@@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420343851 296177738 /nfs/dbraw/zinc/17/77/38/296177738.db2.gz ROWFWVOIFGCKSI-SJORKVTESA-N 2 0 315.461 2.509 20 0 DFADRP O=C(C[N@@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1)Nc1ccc(Cl)cc1 ZINC000420341508 296177770 /nfs/dbraw/zinc/17/77/70/296177770.db2.gz ORJYUFUWPZTZMM-UONOGXRCSA-N 2 0 321.852 2.600 20 0 DFADRP O=C(C[N@@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1)Nc1ccc(Cl)cc1 ZINC000420341504 296177811 /nfs/dbraw/zinc/17/78/11/296177811.db2.gz ORJYUFUWPZTZMM-KBPBESRZSA-N 2 0 321.852 2.600 20 0 DFADRP CCOc1ccc(OCC[N@@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)cc1 ZINC000420344999 296177973 /nfs/dbraw/zinc/17/79/73/296177973.db2.gz VNDLXYICJIOXAO-DLBZAZTESA-N 2 0 318.461 2.786 20 0 DFADRP Cc1ccc(NC(=O)[C@@H]2C[C@H]3CCCC[N@@H+]3C2)c(C[NH+](C)C)c1 ZINC000080669206 399168338 /nfs/dbraw/zinc/16/83/38/399168338.db2.gz LALITOIJDCLSEN-IAGOWNOFSA-N 2 0 315.461 2.870 20 0 DFADRP Cc1cc([C@@H]2C[N@H+](CC[C@H]3CCC[NH2+]C3)CCO2)ccc1F ZINC000420352860 296178800 /nfs/dbraw/zinc/17/88/00/296178800.db2.gz AWOACLPLINEMSF-QAPCUYQASA-N 2 0 306.425 2.897 20 0 DFADRP Cc1cc([C@@H]2C[N@H+](CC[C@@H]3CCC[NH2+]C3)CCO2)ccc1F ZINC000420352862 296178890 /nfs/dbraw/zinc/17/88/90/296178890.db2.gz AWOACLPLINEMSF-YJBOKZPZSA-N 2 0 306.425 2.897 20 0 DFADRP C[C@H](c1cccc(F)c1)N1CC[NH+](CC[C@@H]2CC[NH2+]C2)CC1 ZINC000420357043 296179650 /nfs/dbraw/zinc/17/96/50/296179650.db2.gz HKWDNCZYALILJN-CVEARBPZSA-N 2 0 305.441 2.504 20 0 DFADRP CC[C@@H]([NH2+]C[C@@H]1CCC[N@H+](CC2CC2)C1)C1(C(=O)OC)CCC1 ZINC000596092555 399170954 /nfs/dbraw/zinc/17/09/54/399170954.db2.gz BLSNMTWCNAGAFK-DLBZAZTESA-N 2 0 322.493 2.820 20 0 DFADRP Cc1cc(C)c(C[NH2+]CCN2CC[N@@H+](C)C(C)(C)C2)c(C)c1 ZINC000282538137 217071981 /nfs/dbraw/zinc/07/19/81/217071981.db2.gz ZNNWTVVEMUGHCT-UHFFFAOYSA-N 2 0 303.494 2.727 20 0 DFADRP CC1(C)C[NH2+]CC[C@H]1[NH2+]CCOc1ccc(Cl)c(F)c1 ZINC000420364840 296180698 /nfs/dbraw/zinc/18/06/98/296180698.db2.gz PIQFTSYKSNIOCC-CQSZACIVSA-N 2 0 300.805 2.836 20 0 DFADRP C[C@@H](C[NH2+][C@@H](c1ccc(F)cc1)C1CC1)CN1CC[NH+](C)CC1 ZINC000271721919 209156765 /nfs/dbraw/zinc/15/67/65/209156765.db2.gz OBPVONNPNFNJOE-HNAYVOBHSA-N 2 0 319.468 2.750 20 0 DFADRP COc1ccc([C@H](C[NH3+])C[N@@H+]2CCC[C@H]2c2ccncc2)cc1 ZINC000420363968 296180325 /nfs/dbraw/zinc/18/03/25/296180325.db2.gz QERZFBVMOPXTBX-MJGOQNOKSA-N 2 0 311.429 2.970 20 0 DFADRP c1nc([C@@H]2CCC[N@@H+](CC[C@@H]3CCC[NH2+]C3)C2)n2c1CCCC2 ZINC000420362117 296180345 /nfs/dbraw/zinc/18/03/45/296180345.db2.gz AHRHMWXQYIPLPB-DLBZAZTESA-N 2 0 316.493 2.789 20 0 DFADRP CC(=O)c1ccc2c(c1)CC[N@@H+](CC[C@H]1CCC[NH2+]C1)CC2 ZINC000420363624 296180448 /nfs/dbraw/zinc/18/04/48/296180448.db2.gz BQJMJXBXLUMGBP-MRXNPFEDSA-N 2 0 300.446 2.680 20 0 DFADRP COc1ccc([C@@H](C[NH3+])C[N@@H+]2CCC[C@@H]2c2ccncc2)cc1 ZINC000420363969 296180506 /nfs/dbraw/zinc/18/05/06/296180506.db2.gz QERZFBVMOPXTBX-PKOBYXMFSA-N 2 0 311.429 2.970 20 0 DFADRP CCC(C)(C)[C@@H]1CCC[N@@H+]1C[C@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC000420370543 296181750 /nfs/dbraw/zinc/18/17/50/296181750.db2.gz JMLQGJJZOJYDEW-BZSNNMDCSA-N 2 0 304.478 2.818 20 0 DFADRP C[C@H](CC(=O)Nc1cccc(C(F)(F)F)c1)[NH2+]CC[C@H](C)[NH3+] ZINC000622045673 399175053 /nfs/dbraw/zinc/17/50/53/399175053.db2.gz LWLVFABWVODZAJ-WDEREUQCSA-N 2 0 317.355 2.749 20 0 DFADRP CC[C@@H](C)[C@@H]1C[N@H+](Cc2ccc(C)nc2)CCN1CCC[NH2+]C ZINC000420377208 296182659 /nfs/dbraw/zinc/18/26/59/296182659.db2.gz RYTCHODLCFFOFW-APWZRJJASA-N 2 0 318.509 2.532 20 0 DFADRP Fc1ccccc1CO[C@H]1CCC[N@H+](CC[C@H]2CC[NH2+]C2)C1 ZINC000420379321 296183150 /nfs/dbraw/zinc/18/31/50/296183150.db2.gz VDDDTUQZWWBIFB-WBVHZDCISA-N 2 0 306.425 2.806 20 0 DFADRP [NH3+][C@H]1CCCO[C@H]1C1CC[NH+](CCCCC(F)(F)F)CC1 ZINC000420379262 296182962 /nfs/dbraw/zinc/18/29/62/296182962.db2.gz MZBKZQKVSZIRGW-KBPBESRZSA-N 2 0 308.388 2.937 20 0 DFADRP CC[N@H+](CCC1CC[NH+](CC[C@@H]2CC[NH2+]C2)CC1)CC1CC1 ZINC000420379859 296183727 /nfs/dbraw/zinc/18/37/27/296183727.db2.gz VWUSAHKZBJZOEG-SFHVURJKSA-N 3 0 307.526 2.820 20 0 DFADRP [NH3+][C@H]1CCO[C@@H](C2CC[NH+](CCCCC(F)(F)F)CC2)C1 ZINC000420384795 296183970 /nfs/dbraw/zinc/18/39/70/296183970.db2.gz GULUYSGUCJOJEH-UONOGXRCSA-N 2 0 308.388 2.937 20 0 DFADRP [NH3+][C@@H]1CCO[C@H](C2CC[NH+](CCCc3ccccc3)CC2)C1 ZINC000420387578 296184520 /nfs/dbraw/zinc/18/45/20/296184520.db2.gz KLRLEFYFQBILER-MOPGFXCFSA-N 2 0 302.462 2.838 20 0 DFADRP C[C@H](Cc1cccc(Cl)c1)[NH2+]CCCN1CCC[N@H+](C)CC1 ZINC000282700039 217185744 /nfs/dbraw/zinc/18/57/44/217185744.db2.gz QBEICSLCTFFMSQ-MRXNPFEDSA-N 2 0 323.912 2.888 20 0 DFADRP CCc1cccc(C[NH+]2CCC([C@@H]3C[C@H]([NH3+])CCO3)CC2)c1 ZINC000420391611 296185293 /nfs/dbraw/zinc/18/52/93/296185293.db2.gz OPDQFJZYIAHSCM-MOPGFXCFSA-N 2 0 302.462 2.967 20 0 DFADRP [NH3+][C@H]1CCO[C@H](C2CC[NH+](CCCCC3CCOCC3)CC2)C1 ZINC000420393370 296185461 /nfs/dbraw/zinc/18/54/61/296185461.db2.gz QJBDVUYTPQUJIG-OALUTQOASA-N 2 0 324.509 2.802 20 0 DFADRP CC(C)(C)c1cccc(OCCC[N@@H+]2CCCO[C@H](C[NH3+])C2)c1 ZINC000420388941 296184966 /nfs/dbraw/zinc/18/49/66/296184966.db2.gz LTFBMJQFVHLNJN-GOSISDBHSA-N 2 0 320.477 2.803 20 0 DFADRP C[C@H](Cc1cccc(Cl)c1)[NH2+]C1CCN(CC[NH+](C)C)CC1 ZINC000282734910 217211558 /nfs/dbraw/zinc/21/15/58/217211558.db2.gz SVFIEBJIDHONDA-OAHLLOKOSA-N 2 0 323.912 2.887 20 0 DFADRP [NH3+]CCOCC[NH2+][C@@H](c1cccc(C(F)(F)F)c1)C1CC1 ZINC000420401307 296186397 /nfs/dbraw/zinc/18/63/97/296186397.db2.gz JCEOMGWMJUSNME-CQSZACIVSA-N 2 0 302.340 2.721 20 0 DFADRP COc1cccc(OCC[N@@H+]2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)c1 ZINC000420406894 296187368 /nfs/dbraw/zinc/18/73/68/296187368.db2.gz UTGDCPTVXAUJIP-CRAIPNDOSA-N 2 0 304.434 2.538 20 0 DFADRP CC(C)(C)c1ccc(OCCC[NH+]2CCC(O)(C[NH3+])CC2)cc1 ZINC000420409664 296187471 /nfs/dbraw/zinc/18/74/71/296187471.db2.gz YZHOCMXLNBEZID-UHFFFAOYSA-N 2 0 320.477 2.539 20 0 DFADRP CCOc1ccccc1OCC[N@@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000420412582 296187573 /nfs/dbraw/zinc/18/75/73/296187573.db2.gz ZJORCTYQGCKZOO-IAGOWNOFSA-N 2 0 318.461 2.928 20 0 DFADRP CC[C@@H]([NH2+]CCOCC[NH3+])c1cc(F)cc(Br)c1 ZINC000420423197 296188184 /nfs/dbraw/zinc/18/81/84/296188184.db2.gz ZYUGORZLQLMNPN-CYBMUJFWSA-N 2 0 319.218 2.604 20 0 DFADRP C[NH+]1CCC(C(=O)Nc2ccccc2Nc2cc[nH+]cc2)CC1 ZINC000614254017 399189707 /nfs/dbraw/zinc/18/97/07/399189707.db2.gz CGUILIJZADLFHE-UHFFFAOYSA-N 2 0 310.401 2.527 20 0 DFADRP CC[C@H](C(=O)N[C@@H]1CC[N@@H+](C2CCCCC2)C1)[NH+](CC)CC ZINC000618661076 399200852 /nfs/dbraw/zinc/20/08/52/399200852.db2.gz NQHDJLGIFSBUKK-NVXWUHKLSA-N 2 0 309.498 2.630 20 0 DFADRP CC[C@@H]1CO[C@H](C)C[N@@H+]1Cc1cccc(CN2CCOCC2)c1 ZINC000420909466 296210723 /nfs/dbraw/zinc/21/07/23/296210723.db2.gz YQKJEWOVLCTTLX-VQIMIIECSA-N 2 0 318.461 2.518 20 0 DFADRP COC(C)(C)C[C@@H](C)[NH2+]Cc1ccc(OCC[NH+](C)C)cc1 ZINC000608061905 399229807 /nfs/dbraw/zinc/22/98/07/399229807.db2.gz DYNSVYAVXDRXGQ-OAHLLOKOSA-N 2 0 308.466 2.920 20 0 DFADRP COC(C)(C)C[C@H](C)[NH2+]Cc1ccc(OCC[NH+](C)C)cc1 ZINC000608061903 399230041 /nfs/dbraw/zinc/23/00/41/399230041.db2.gz DYNSVYAVXDRXGQ-HNNXBMFYSA-N 2 0 308.466 2.920 20 0 DFADRP C[C@@H]1CC[C@@H](C(=O)OC(C)(C)C)C[N@@H+]1CC[C@H]1CCC[NH+]1C ZINC000420920249 296212269 /nfs/dbraw/zinc/21/22/69/296212269.db2.gz ARKOFMIDELTFSM-BZUAXINKSA-N 2 0 310.482 2.913 20 0 DFADRP CC[N@@H+]1CC[C@H]([NH+](C)CCc2nc3ccccc3n2C)[C@H](C)C1 ZINC000267447233 206072911 /nfs/dbraw/zinc/07/29/11/206072911.db2.gz KMBCZUNKVIWJBF-WBVHZDCISA-N 2 0 314.477 2.778 20 0 DFADRP CCC[N@H+](C)CC(=O)N1CC[NH+](C2CCC(C(C)C)CC2)CC1 ZINC000622421919 399252804 /nfs/dbraw/zinc/25/28/04/399252804.db2.gz OWZCXUWUZWVBSJ-UHFFFAOYSA-N 2 0 323.525 2.687 20 0 DFADRP CCC[N@H+](C)CC(=O)N1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC000622662914 399266097 /nfs/dbraw/zinc/26/60/97/399266097.db2.gz WAYSJSPWWUBAJA-UHFFFAOYSA-N 2 0 311.514 2.687 20 0 DFADRP CCOC(=O)C1(C)CC([NH2+][C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)C1 ZINC000601275765 399268450 /nfs/dbraw/zinc/26/84/50/399268450.db2.gz DUKZQJWHBZPRDM-SCXZOKCQSA-N 2 0 322.493 2.961 20 0 DFADRP C[NH+](C)CCC1CC[NH+](CCC(=O)Nc2ccccc2)CC1 ZINC000101726964 193838935 /nfs/dbraw/zinc/83/89/35/193838935.db2.gz DIODYYHWFXTIFM-UHFFFAOYSA-N 2 0 303.450 2.679 20 0 DFADRP CCCC[C@H](C(=O)OC)[N@@H+]1CC[C@H](CNc2cc(C)cc[nH+]2)C1 ZINC000609317325 399313286 /nfs/dbraw/zinc/31/32/86/399313286.db2.gz UPXNHOKGPUYGHD-HZPDHXFCSA-N 2 0 319.449 2.856 20 0 DFADRP C[NH+](C)Cc1cccc(NC(=O)N[C@H]2CC[NH2+]C23CCCC3)c1 ZINC000623069620 399322344 /nfs/dbraw/zinc/32/23/44/399322344.db2.gz KSSPSUQMWWPTNI-INIZCTEOSA-N 2 0 316.449 2.544 20 0 DFADRP CN(CCC[NH2+]Cc1cc2ccccc2s1)CC[NH+](C)C ZINC000623087755 399324792 /nfs/dbraw/zinc/32/47/92/399324792.db2.gz HDWUAWZYIBVHTH-UHFFFAOYSA-N 2 0 305.491 2.874 20 0 DFADRP CC[NH+]1CCN(c2ccccc2C[NH2+]C[C@H](OC)C(C)C)CC1 ZINC000344715895 284677639 /nfs/dbraw/zinc/67/76/39/284677639.db2.gz PHGYGCNJJPQFMH-IBGZPJMESA-N 2 0 319.493 2.589 20 0 DFADRP CCC[C@@H](C(=O)OCC)[N@@H+]1CC[C@H](CNc2cc(C)cc[nH+]2)C1 ZINC000609635918 399327965 /nfs/dbraw/zinc/32/79/65/399327965.db2.gz XLNMMHPSZVAIPE-CVEARBPZSA-N 2 0 319.449 2.856 20 0 DFADRP CC[NH+](CC)C[C@H]1CCCC[C@H]1[NH2+]Cc1c[nH]c(C(=O)OC)c1 ZINC000344840746 284691924 /nfs/dbraw/zinc/69/19/24/284691924.db2.gz QWGGLPHXGHXQEC-HZPDHXFCSA-N 2 0 321.465 2.792 20 0 DFADRP C[C@@H]([NH2+]C1CCC([NH+](C)C)CC1)c1ccc2c(c1)OCC(=O)N2 ZINC000421876478 296278160 /nfs/dbraw/zinc/27/81/60/296278160.db2.gz KWHVAPYBVOPKAO-LRVUVFPRSA-N 2 0 317.433 2.541 20 0 DFADRP COc1cccc(C[NH2+]CCCC[NH+](C)C)c1OC(F)F ZINC000045598422 183519011 /nfs/dbraw/zinc/51/90/11/183519011.db2.gz WRIKJZWMUHMDSY-UHFFFAOYSA-N 2 0 302.365 2.728 20 0 DFADRP CC(C)[NH+]1CCN([C@H]2CC[N@H+](C/C=C\c3ccccc3)C2)CC1 ZINC000610250327 399350962 /nfs/dbraw/zinc/35/09/62/399350962.db2.gz SJJZDCVILCPNDS-NSDNCLLMSA-N 2 0 313.489 2.800 20 0 DFADRP C[NH+](C)[C@@H](CC(=O)NC1CCC([NH+](C)C)CC1)c1ccccc1 ZINC000422008849 296290199 /nfs/dbraw/zinc/29/01/99/296290199.db2.gz QAWCJNHZQBFLAE-ABHNRTSZSA-N 2 0 317.477 2.668 20 0 DFADRP C[N@@H+]1CC[C@H](NC[C@H](c2ccco2)[NH+]2CCCC2)CC1(C)C ZINC000623336809 399365463 /nfs/dbraw/zinc/36/54/63/399365463.db2.gz GBZMXSQMQSJOOX-JKSUJKDBSA-N 2 0 305.466 2.879 20 0 DFADRP C[N@@H+]1CC[C@H](N[C@H]2CC[NH+](Cc3ccccc3)C2)CC1(C)C ZINC000623338312 399365501 /nfs/dbraw/zinc/36/55/01/399365501.db2.gz UVTRMUKKKLVGQE-ROUUACIJSA-N 2 0 301.478 2.723 20 0 DFADRP C[N@@H+]1CC[C@@H](N[C@H]2CC[NH+](Cc3ccccc3)C2)CC1(C)C ZINC000623338310 399365603 /nfs/dbraw/zinc/36/56/03/399365603.db2.gz UVTRMUKKKLVGQE-MSOLQXFVSA-N 2 0 301.478 2.723 20 0 DFADRP CC[C@H](C(=O)N1CCC([NH+]2CCCCC2)CC1)[NH+](CC)CC ZINC000345806219 284755353 /nfs/dbraw/zinc/75/53/53/284755353.db2.gz QJADPDHGXQCTLE-QGZVFWFLSA-N 2 0 309.498 2.584 20 0 DFADRP C[C@H](C[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1)N1CCc2ccccc21 ZINC000623347517 399368103 /nfs/dbraw/zinc/36/81/03/399368103.db2.gz CMHIFSIACOYSMF-WBVHZDCISA-N 2 0 301.478 2.900 20 0 DFADRP C[C@H](N[C@@H]1CC[N@H+](C)C(C)(C)C1)c1nnc2n1CCCCC2 ZINC000623352101 399369677 /nfs/dbraw/zinc/36/96/77/399369677.db2.gz OXNVZAGHVADLFU-UONOGXRCSA-N 2 0 305.470 2.528 20 0 DFADRP C[N@@H+]1CC[C@H]([NH2+]C2CCN(c3ccccn3)CC2)CC1(C)C ZINC000623357601 399371100 /nfs/dbraw/zinc/37/11/00/399371100.db2.gz XQCKCPMIBSDEFA-INIZCTEOSA-N 2 0 302.466 2.513 20 0 DFADRP COc1cccc(CC[NH2+][C@@H]2CC[N@H+](C)C(C)(C)C2)c1OC ZINC000623362694 399373033 /nfs/dbraw/zinc/37/30/33/399373033.db2.gz FOWHENUNEWJKDF-OAHLLOKOSA-N 2 0 306.450 2.709 20 0 DFADRP CCc1cc(N2CC[C@@H]3OCC[N@H+](C)[C@H]3C2)c2ccccc2[nH+]1 ZINC000285031119 218263441 /nfs/dbraw/zinc/26/34/41/218263441.db2.gz NJSCYSDMMWWTOA-OALUTQOASA-N 2 0 311.429 2.707 20 0 DFADRP COC(=O)CCC[C@H]1CCC[C@@H]([NH2+][C@H]2CC[C@H](C[NH3+])CC2)C1 ZINC000602021511 399386268 /nfs/dbraw/zinc/38/62/68/399386268.db2.gz PBIKOUKIOIRURV-QBPKDAKJSA-N 2 0 310.482 2.996 20 0 DFADRP CSCC1CCC(Nc2cc(N3CC[NH2+]CC3)cc[nH+]2)CC1 ZINC000602020169 399386277 /nfs/dbraw/zinc/38/62/77/399386277.db2.gz JVBAWTOUVRKVGL-UHFFFAOYSA-N 2 0 320.506 2.825 20 0 DFADRP COc1ccccc1N1CC[C@H]([NH2+][C@@H]2CC[N@H+](C)C(C)(C)C2)C1 ZINC000623445401 399391656 /nfs/dbraw/zinc/39/16/56/399391656.db2.gz PPXYHXINLSPIIZ-CVEARBPZSA-N 2 0 317.477 2.736 20 0 DFADRP COc1ccc(Br)cc1C[NH2+]C1CCC([NH3+])CC1 ZINC000051692765 183834377 /nfs/dbraw/zinc/83/43/77/183834377.db2.gz AWUNUVWRJMYJPP-UHFFFAOYSA-N 2 0 313.239 2.817 20 0 DFADRP CC(C)N(C)c1ccc(C[N@@H+]2C[C@@H](C[NH3+])[C@H](C)C[C@@H]2C)cn1 ZINC000422558236 296312303 /nfs/dbraw/zinc/31/23/03/296312303.db2.gz ANXDOYXEAQGUAH-HLLBOEOZSA-N 2 0 304.482 2.731 20 0 DFADRP CC(C)N(C)c1ccc(C[N@@H+]2C[C@@H](C[NH3+])[C@H](C)C[C@H]2C)cn1 ZINC000422558235 296312362 /nfs/dbraw/zinc/31/23/62/296312362.db2.gz ANXDOYXEAQGUAH-BFYDXBDKSA-N 2 0 304.482 2.731 20 0 DFADRP CCOc1ccc(C[N@@H+]2C[C@H](C[NH3+])[C@@H](C)C[C@H]2C)cc1OC ZINC000422562406 296312617 /nfs/dbraw/zinc/31/26/17/296312617.db2.gz PXOOHNOSECGFGV-LZWOXQAQSA-N 2 0 306.450 2.899 20 0 DFADRP CC(C)(CC[NH3+])[NH2+]Cc1ccc(OCC(F)(F)F)c(F)c1 ZINC000422561242 296312757 /nfs/dbraw/zinc/31/27/57/296312757.db2.gz KBECILVQTRLUGC-UHFFFAOYSA-N 2 0 308.319 2.984 20 0 DFADRP COCCC[NH+]1CCC([NH2+][C@@H](C)c2ccc3c(c2)COC3)CC1 ZINC000268862551 207032089 /nfs/dbraw/zinc/03/20/89/207032089.db2.gz SDHPDCCBAZYRJZ-HNNXBMFYSA-N 2 0 318.461 2.868 20 0 DFADRP Cc1cccc(NC(=O)[C@@H](C)[NH+]2CCC(CC[NH+](C)C)CC2)c1 ZINC000054337887 183935337 /nfs/dbraw/zinc/93/53/37/183935337.db2.gz OLGWJTNFRPBETP-MRXNPFEDSA-N 2 0 317.477 2.986 20 0 DFADRP C[N@@H+]1CC[C@H]([NH2+][C@H]2CCCO[C@@H]2c2ccncc2)CC1(C)C ZINC000623499714 399402614 /nfs/dbraw/zinc/40/26/14/399402614.db2.gz NITNHOLHPUYSJE-YESZJQIVSA-N 2 0 303.450 2.764 20 0 DFADRP CC(C)(C[NH2+][C@H]1CCCC[C@@H]1C[NH3+])N1CCc2ccccc2C1 ZINC000422703485 296318344 /nfs/dbraw/zinc/31/83/44/296318344.db2.gz NFDTVEJNPYFVRN-MJGOQNOKSA-N 2 0 315.505 2.930 20 0 DFADRP C[C@H]([NH2+]CCCC[N@@H+]1CCC[C@@H]1CO)c1cc(F)ccc1F ZINC000268924427 207091898 /nfs/dbraw/zinc/09/18/98/207091898.db2.gz PKOLQHYFQUDPNI-DZGCQCFKSA-N 2 0 312.404 2.852 20 0 DFADRP C[C@H]([NH3+])[C@@H](Cc1ccccc1)NCC[N@H+](C)C1CCCCC1 ZINC000422700391 296318658 /nfs/dbraw/zinc/31/86/58/296318658.db2.gz GVROYHZSDNMBTL-QFBILLFUSA-N 2 0 303.494 2.799 20 0 DFADRP C[C@H](C[C@H](C)[NH3+])[NH2+]CCc1cc(Br)ccc1F ZINC000422703872 296318829 /nfs/dbraw/zinc/31/88/29/296318829.db2.gz OBEXNRJEILCRIG-VHSXEESVSA-N 2 0 303.219 2.846 20 0 DFADRP C[C@H]([NH3+])[C@@H]1COCC[C@H]1[NH2+]CCCCCOC1CCCCC1 ZINC000422704044 296318940 /nfs/dbraw/zinc/31/89/40/296318940.db2.gz JRORZQGIOGTNFB-RYQLBKOJSA-N 2 0 312.498 2.848 20 0 DFADRP C[C@H]([NH3+])[C@@H]1COCC[C@H]1[NH2+]CC1(c2ccc(Cl)cc2)CC1 ZINC000422705986 296318980 /nfs/dbraw/zinc/31/89/80/296318980.db2.gz SLWNOVZPKCOMIC-VBNZEHGJSA-N 2 0 308.853 2.714 20 0 DFADRP C[C@H](CCC[NH3+])[NH2+]Cc1ccc(NC(=O)c2ccco2)cc1 ZINC000422708384 296319423 /nfs/dbraw/zinc/31/94/23/296319423.db2.gz BWTCGQQMTOLJSB-CYBMUJFWSA-N 2 0 301.390 2.749 20 0 DFADRP C[C@H](C(=O)N1[C@@H](C)CCC[C@@H]1C)[NH+]1CCC(CC[NH+](C)C)CC1 ZINC000056523663 184015116 /nfs/dbraw/zinc/01/51/16/184015116.db2.gz LEMKIBDDNSSTKE-YESZJQIVSA-N 2 0 323.525 2.828 20 0 DFADRP C[C@H](NC[C@@H]1CC[N@H+](CCc2ccccc2)C1)[C@@H]1CCCC[NH2+]1 ZINC000422718532 296320823 /nfs/dbraw/zinc/32/08/23/296320823.db2.gz PWAXDVLAWVLGKX-IHPCNDPISA-N 2 0 315.505 2.671 20 0 DFADRP C[C@@H](CCCC[NH3+])[NH2+]C1CCN(Cc2ccc(F)cc2)CC1 ZINC000422722583 296321573 /nfs/dbraw/zinc/32/15/73/296321573.db2.gz PGWLDGOUJORUCG-HNNXBMFYSA-N 2 0 307.457 2.897 20 0 DFADRP CC[C@@H](NC[C@H]1CC[N@H+](CCc2ccccc2)C1)[C@@H]1CCC[NH2+]1 ZINC000422722924 296321617 /nfs/dbraw/zinc/32/16/17/296321617.db2.gz ZCVNHHPOACEFNN-AQNXPRMDSA-N 2 0 315.505 2.671 20 0 DFADRP C[N@@H+]1CC[C@H]([NH2+][C@@H]2CCO[C@@H](c3ccncc3)C2)CC1(C)C ZINC000623540006 399411908 /nfs/dbraw/zinc/41/19/08/399411908.db2.gz GWLCTPMFIWXKEG-IXDOHACOSA-N 2 0 303.450 2.764 20 0 DFADRP CCOc1ccccc1OCC[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000268962831 207127196 /nfs/dbraw/zinc/12/71/96/207127196.db2.gz GBNFZUKTSJTCKW-IRXDYDNUSA-N 2 0 318.461 2.880 20 0 DFADRP C[C@H]([NH2+]CCCC[NH+](C)C)c1ccc(NC(=O)NC2CC2)cc1 ZINC000268974994 207136555 /nfs/dbraw/zinc/13/65/55/207136555.db2.gz GMVWFHVZBUMYHT-AWEZNQCLSA-N 2 0 318.465 2.963 20 0 DFADRP C[C@H](NC1CC[NH+](Cc2ccc(F)cc2)CC1)[C@@H]1CCCC[NH2+]1 ZINC000422725025 296322045 /nfs/dbraw/zinc/32/20/45/296322045.db2.gz XIGIDLOJJXVVEY-KXBFYZLASA-N 2 0 319.468 2.910 20 0 DFADRP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]C1CCN(Cc2ccc(F)cc2)CC1 ZINC000422725450 296322054 /nfs/dbraw/zinc/32/20/54/296322054.db2.gz YAQJEVBSMVYGNP-YJBOKZPZSA-N 2 0 305.441 2.507 20 0 DFADRP CC(C)(C)[C@@H](C[N@@H+]1CCc2ccccc2C1)NC1CC[NH2+]CC1 ZINC000422725522 296322189 /nfs/dbraw/zinc/32/21/89/296322189.db2.gz BOYIFOLBBMXPDC-LJQANCHMSA-N 2 0 315.505 2.801 20 0 DFADRP Clc1ccc(CC[NH2+][C@@H]2CCOC[C@H]2[C@H]2CCC[NH2+]2)cc1 ZINC000422727388 296322486 /nfs/dbraw/zinc/32/24/86/296322486.db2.gz CFQFPSAUQQXJRR-GVDBMIGSSA-N 2 0 308.853 2.629 20 0 DFADRP Clc1ccc(CC[NH2+][C@@H]2CCOC[C@@H]2[C@H]2CCC[NH2+]2)cc1 ZINC000422727386 296322547 /nfs/dbraw/zinc/32/25/47/296322547.db2.gz CFQFPSAUQQXJRR-BRWVUGGUSA-N 2 0 308.853 2.629 20 0 DFADRP CC[C@H]1CCCC[N@@H+]1CCN[C@H](C)c1ccc(C[NH3+])nc1C ZINC000422731867 296323097 /nfs/dbraw/zinc/32/30/97/296323097.db2.gz OEMOXWVJZMBKIY-PBHICJAKSA-N 2 0 304.482 2.764 20 0 DFADRP Cc1cccc2c1C[C@H]([NH2+]Cc1ccnn1-c1cc[nH+]cc1)CO2 ZINC000623608377 399426630 /nfs/dbraw/zinc/42/66/30/399426630.db2.gz IQSLSQFWDXSJBS-HNNXBMFYSA-N 2 0 320.396 2.669 20 0 DFADRP CCOC(=O)CC[C@H]1CCC[N@H+](CC[C@H]2CCCC[NH+]2C)C1 ZINC000611036222 399429981 /nfs/dbraw/zinc/42/99/81/399429981.db2.gz FIFILSUULAGNGS-IAGOWNOFSA-N 2 0 310.482 2.916 20 0 DFADRP C[C@@H](CC[NH+](C)C)NC1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000269009988 207163452 /nfs/dbraw/zinc/16/34/52/207163452.db2.gz NKBUXDMRMWHJEW-INIZCTEOSA-N 2 0 321.484 2.762 20 0 DFADRP CC[NH+](CC)[C@@H](CNC(=O)[C@@H](C)[NH2+]C(C)(C)CC)c1ccco1 ZINC000273196306 210574051 /nfs/dbraw/zinc/57/40/51/210574051.db2.gz IYTYMSZIUSWMEY-CABCVRRESA-N 2 0 323.481 2.945 20 0 DFADRP CC[NH+]1CCN([C@H]2CC[N@H+](Cc3csc(C)c3C)C2)CC1 ZINC000602463388 399450986 /nfs/dbraw/zinc/45/09/86/399450986.db2.gz GADLGKMWIDJJBB-KRWDZBQOSA-N 2 0 307.507 2.577 20 0 DFADRP CC(C)n1nccc1[C@@H]1OCC[C@H]1[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000623733395 399452818 /nfs/dbraw/zinc/45/28/18/399452818.db2.gz LDFCBJQUYJOXDY-BVIKNXMNSA-N 2 0 318.465 2.510 20 0 DFADRP CC[NH+](CC)CC1CC[NH+](Cc2cc(C(=O)OC)c(C)[nH]2)CC1 ZINC000602441237 399444908 /nfs/dbraw/zinc/44/49/08/399444908.db2.gz VHAUXAVUIRUXOA-UHFFFAOYSA-N 2 0 321.465 2.664 20 0 DFADRP CC[N@@H+]1CC[C@H](N(C)Cc2cc(C(=O)OC)cs2)[C@@H](C)C1 ZINC000602475647 399455099 /nfs/dbraw/zinc/45/50/99/399455099.db2.gz LXTBOYWVYDEJDH-WFASDCNBSA-N 2 0 310.463 2.697 20 0 DFADRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@H](C)c1cc(OC)ccc1OC ZINC000269097088 207237673 /nfs/dbraw/zinc/23/76/73/207237673.db2.gz SDQJBESLWCDXDD-GDBMZVCRSA-N 2 0 324.465 2.711 20 0 DFADRP CSC[C@](C)(O)C[NH2+]C1CC[NH+]([C@H]2CCCC[C@H]2C)CC1 ZINC000305127749 295627529 /nfs/dbraw/zinc/62/75/29/295627529.db2.gz LUBMQLQFESLRQN-HYVNUMGLSA-N 2 0 314.539 2.733 20 0 DFADRP CCC[N@H+](CC)Cc1ccc(C(=O)N(C)C2CC[NH2+]CC2)cc1 ZINC000269124722 207259547 /nfs/dbraw/zinc/25/95/47/207259547.db2.gz BRCIVIOULHROBV-UHFFFAOYSA-N 2 0 317.477 2.743 20 0 DFADRP C[NH2+]CC1CC[NH+](Cc2cc(Cl)c3c(c2)OCCO3)CC1 ZINC000063159941 184275006 /nfs/dbraw/zinc/27/50/06/184275006.db2.gz JNRQTWCGYMNSGB-UHFFFAOYSA-N 2 0 310.825 2.543 20 0 DFADRP C[C@H]([NH2+][C@@H](C)C1CC[NH+](C)CC1)c1ccc([S@@](C)=O)cc1 ZINC000611337475 399463019 /nfs/dbraw/zinc/46/30/19/399463019.db2.gz OYHCTXQNVIVSDV-DGCWBMGLSA-N 2 0 308.491 2.805 20 0 DFADRP COC(=O)c1[nH]c(C[NH2+]CCCC[N@@H+]2CCC[C@@H](C)C2)cc1C ZINC000602512372 399465040 /nfs/dbraw/zinc/46/50/40/399465040.db2.gz ASRGBECCMKEHQT-CQSZACIVSA-N 2 0 321.465 2.711 20 0 DFADRP COC(=O)c1cc(C[NH2+]CCCC[N@@H+]2CCCC[C@H]2C)[nH]c1C ZINC000602513718 399465618 /nfs/dbraw/zinc/46/56/18/399465618.db2.gz HAHIZOQMCYUUJA-CQSZACIVSA-N 2 0 321.465 2.854 20 0 DFADRP C[C@H]1C[C@@H](NC[C@@H]2CCC[NH+]2C)CC[N@@H+]1Cc1ccccc1 ZINC000623786328 399466426 /nfs/dbraw/zinc/46/64/26/399466426.db2.gz IGYKJEJUIXMDDT-WDSOQIARSA-N 2 0 301.478 2.723 20 0 DFADRP CCC[N@H+](CC)Cc1ccc(C(=O)NC[C@H]2CCC[NH2+]C2)cc1 ZINC000269181440 207301438 /nfs/dbraw/zinc/30/14/38/207301438.db2.gz IDNPTSCINUVRJU-KRWDZBQOSA-N 2 0 317.477 2.648 20 0 DFADRP CC(C)(C[NH2+][C@@H]1CCOC[C@H]1[C@H]1CCC[NH2+]1)c1cccs1 ZINC000422741839 296324446 /nfs/dbraw/zinc/32/44/46/296324446.db2.gz PFYFLMBCTPFXIE-RRFJBIMHSA-N 2 0 308.491 2.772 20 0 DFADRP CC(C)(C[NH2+][C@@H]1CCOC[C@@H]1[C@H]1CCC[NH2+]1)c1cccs1 ZINC000422741838 296324480 /nfs/dbraw/zinc/32/44/80/296324480.db2.gz PFYFLMBCTPFXIE-RBSFLKMASA-N 2 0 308.491 2.772 20 0 DFADRP CCC[C@@H]([NH2+]C1CCC(C[NH3+])CC1)c1nnc2ccccn21 ZINC000422735562 296323763 /nfs/dbraw/zinc/32/37/63/296323763.db2.gz FFVGCNGUZJWODK-YMAMQOFZSA-N 2 0 301.438 2.678 20 0 DFADRP C[C@H]([NH3+])[C@@H]1COCC[C@H]1[NH2+]CC(C)(C)c1ccc(Cl)cc1 ZINC000422736589 296323867 /nfs/dbraw/zinc/32/38/67/296323867.db2.gz YFKMDXPHCGNALQ-VBNZEHGJSA-N 2 0 310.869 2.960 20 0 DFADRP CC[N@@H+]1CCC[C@H](N[C@@H](c2ccc(OC)cc2)[C@@H]2CCC[NH2+]2)C1 ZINC000422738523 296324016 /nfs/dbraw/zinc/32/40/16/296324016.db2.gz JOBAXRSLEQYDAQ-WDSOQIARSA-N 2 0 317.477 2.562 20 0 DFADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+][C@H]1CCC[C@@H](C(=O)N(C)C)C1 ZINC000422739448 296324024 /nfs/dbraw/zinc/32/40/24/296324024.db2.gz LILHURCEOIAMDT-NCOADZHNSA-N 2 0 309.498 2.534 20 0 DFADRP C[C@@H](NC[C@H](c1ccccc1)[NH+]1CCCC1)[C@@H]1CCCC[NH2+]1 ZINC000422737586 296324184 /nfs/dbraw/zinc/32/41/84/296324184.db2.gz ZXKTZIGTATWQIH-NZSAHSFTSA-N 2 0 301.478 2.944 20 0 DFADRP Cc1ccccc1OCCC[NH2+][C@@H]1CCOC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000422744416 296324910 /nfs/dbraw/zinc/32/49/10/296324910.db2.gz SVDFJBKNLBWSRN-OKZBNKHCSA-N 2 0 318.461 2.511 20 0 DFADRP Cc1ncsc1C[NH2+][C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422742087 296324524 /nfs/dbraw/zinc/32/45/24/296324524.db2.gz PJFVMNUHBRZYNT-RHSMWYFYSA-N 2 0 315.442 2.797 20 0 DFADRP C[C@H](c1ccccc1)[N@@H+]1CC[C@H](N[C@@H](C)[C@@H]2CCCC[NH2+]2)C1 ZINC000422740767 296324545 /nfs/dbraw/zinc/32/45/45/296324545.db2.gz NEAVPSSHOBPAGI-NBMJBFSESA-N 2 0 301.478 2.942 20 0 DFADRP c1cn(-c2cccc(C[NH2+][C@@H]3CCC[C@@H]3[C@H]3CCC[NH2+]3)c2)cn1 ZINC000422742395 296324786 /nfs/dbraw/zinc/32/47/86/296324786.db2.gz GFSCSTADGDJRTN-GUDVDZBRSA-N 2 0 310.445 2.883 20 0 DFADRP COc1ccccc1[C@H](CN[C@@H](C)[C@@H]1CCC[NH2+]1)[NH+]1CCCC1 ZINC000422746889 296325825 /nfs/dbraw/zinc/32/58/25/296325825.db2.gz ORKOEGGKXXWPKP-SZMVWBNQSA-N 2 0 317.477 2.562 20 0 DFADRP C[C@H](c1ccccc1)N1CC[C@H]([NH2+]C2CCC(C[NH3+])CC2)C1 ZINC000422745840 296325322 /nfs/dbraw/zinc/32/53/22/296325322.db2.gz VVDSZFWQLPCIQK-JVDULTGUSA-N 2 0 301.478 2.929 20 0 DFADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]C[C@H]1CCCN1Cc1ccccc1 ZINC000422744902 296325396 /nfs/dbraw/zinc/32/53/96/296325396.db2.gz UIUABUGEFUMQGR-BHIYHBOVSA-N 2 0 301.478 2.629 20 0 DFADRP c1ccc(SCCC[NH2+][C@@H]2CCOC[C@H]2[C@@H]2CCC[NH2+]2)cc1 ZINC000422750395 296326056 /nfs/dbraw/zinc/32/60/56/296326056.db2.gz DATQBZOXVYZIES-OKZBNKHCSA-N 2 0 320.502 2.916 20 0 DFADRP COc1cccc(N2CCC[C@@H]([NH2+][C@@H](C)CCCC[NH3+])C2)c1 ZINC000422751588 296326437 /nfs/dbraw/zinc/32/64/37/296326437.db2.gz BOWOLZKALGLTPO-JKSUJKDBSA-N 2 0 305.466 2.771 20 0 DFADRP [NH3+][C@H]1CCC[C@H]1[NH2+]CCCc1ccc(Br)cc1F ZINC000422751210 296326438 /nfs/dbraw/zinc/32/64/38/296326438.db2.gz AXZJDRQSPCFOON-UONOGXRCSA-N 2 0 315.230 2.990 20 0 DFADRP CC[N@@H+]1CCC[C@@H]1CN[C@H](c1ccc(OC)cc1)[C@@H]1CCC[NH2+]1 ZINC000422752845 296327107 /nfs/dbraw/zinc/32/71/07/296327107.db2.gz HOQUYZGXWJLHBZ-NZSAHSFTSA-N 2 0 317.477 2.562 20 0 DFADRP Cc1cc(F)ccc1N1CCC[C@H]([NH2+][C@H]2CCC[C@@H]2C[NH3+])C1 ZINC000422755252 296327239 /nfs/dbraw/zinc/32/72/39/296327239.db2.gz GMTAPDUGUVQCBE-PVAVHDDUSA-N 2 0 305.441 2.820 20 0 DFADRP CCS[C@@H]1CCC[C@H]([NH2+]C2CC[NH+](CC(C)(C)O)CC2)C1 ZINC000602569795 399478766 /nfs/dbraw/zinc/47/87/66/399478766.db2.gz SHLRTTFHKOZFIH-JKSUJKDBSA-N 2 0 314.539 2.876 20 0 DFADRP CCOc1cc(CCC[NH2+][C@@H](C)[C@H]2CCC[NH2+]2)ccc1OC ZINC000422757463 296327611 /nfs/dbraw/zinc/32/76/11/296327611.db2.gz MVWVFRPHFRCOED-GOEBONIOSA-N 2 0 306.450 2.757 20 0 DFADRP CC(C)(C[NH2+][C@@H]1CCOC[C@H]1[C@H]1CCC[NH2+]1)c1cccc(F)c1 ZINC000422756680 296327673 /nfs/dbraw/zinc/32/76/73/296327673.db2.gz HVQAUGSHTDECFX-RCCFBDPRSA-N 2 0 320.452 2.850 20 0 DFADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]CCOc1ccccc1F ZINC000422762630 296328954 /nfs/dbraw/zinc/32/89/54/296328954.db2.gz SFDDXYFGUJPJDA-LBPRGKRZSA-N 2 0 303.381 2.717 20 0 DFADRP CCOc1cc(CCC[NH2+]C2CCC([NH3+])CC2)ccc1OC ZINC000422761276 296328427 /nfs/dbraw/zinc/32/84/27/296328427.db2.gz QYXVLVVOJDAVKD-UHFFFAOYSA-N 2 0 306.450 2.886 20 0 DFADRP C[C@H]([NH3+])C[C@H](C)[NH2+][C@H]1CCOc2ccc(Br)cc21 ZINC000422761073 296328446 /nfs/dbraw/zinc/32/84/46/296328446.db2.gz MIXMVSOKZBZXKY-KWBADKCTSA-N 2 0 313.239 2.988 20 0 DFADRP C[C@H]([NH2+]Cc1cccc(OCC[NH+](C)C)c1)[C@@H]1CCCCO1 ZINC000623866261 399482655 /nfs/dbraw/zinc/48/26/55/399482655.db2.gz PZQKDIKITHCUSX-YJBOKZPZSA-N 2 0 306.450 2.674 20 0 DFADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+][C@@H](C)CN1CCC[C@@H](C)C1 ZINC000422764482 296329378 /nfs/dbraw/zinc/32/93/78/296329378.db2.gz PSWZFVHZYONDME-ILXRZTDVSA-N 2 0 304.482 2.620 20 0 DFADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+][C@H](C)CN1CCC[C@@H](C)C1 ZINC000422764486 296329410 /nfs/dbraw/zinc/32/94/10/296329410.db2.gz PSWZFVHZYONDME-KFWWJZLASA-N 2 0 304.482 2.620 20 0 DFADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+][C@H](CC[NH+](C)C)C(C)(C)C ZINC000422765803 296329786 /nfs/dbraw/zinc/32/97/86/296329786.db2.gz RGBIFAOROLELIR-RHSMWYFYSA-N 3 0 306.498 2.866 20 0 DFADRP Cc1cccc(N2CCC([NH2+][C@@H]3CCCCC[C@H]3[NH3+])CC2)n1 ZINC000422765710 296329790 /nfs/dbraw/zinc/32/97/90/296329790.db2.gz RCGGGWAVXRJVHQ-IAGOWNOFSA-N 2 0 302.466 2.608 20 0 DFADRP Fc1cccc(N2CCC[C@H]([NH2+]C3C[C@H]4CC[C@@H](C3)[NH2+]4)C2)c1 ZINC000422767077 296329814 /nfs/dbraw/zinc/32/98/14/296329814.db2.gz SGUMHBRQDRDIDZ-TVXGVJEUSA-N 2 0 303.425 2.667 20 0 DFADRP [NH3+]C[C@H]1CCCC[C@@H]1[NH2+]CC1(c2ccc(F)cc2)CCOCC1 ZINC000422771174 296330259 /nfs/dbraw/zinc/33/02/59/296330259.db2.gz XVKSFUCUXDTFRT-QAPCUYQASA-N 2 0 320.452 2.981 20 0 DFADRP C[C@H]([NH3+])[C@@H](Cc1ccccc1)NCCC[N@@H+]1CCCC[C@H]1C ZINC000422772679 296330681 /nfs/dbraw/zinc/33/06/81/296330681.db2.gz SRWDMIGSGCRTIV-ZIFCJYIRSA-N 2 0 303.494 2.799 20 0 DFADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+][C@H]1CCN(Cc2ccccc2)C1 ZINC000422772418 296330718 /nfs/dbraw/zinc/33/07/18/296330718.db2.gz YIMYQWVJBGLGSC-LPHOPBHVSA-N 2 0 324.472 2.774 20 0 DFADRP C[C@@H]([NH2+]Cc1ccccc1OCC[NH+](C)C)[C@@H]1CCCCO1 ZINC000623879537 399485882 /nfs/dbraw/zinc/48/58/82/399485882.db2.gz JLKBQFOAEBMZNN-WBVHZDCISA-N 2 0 306.450 2.674 20 0 DFADRP CC[C@@H]([NH2+]CCn1c(C)nc2ccccc21)[C@H]1CCCC[NH2+]1 ZINC000422776688 296331120 /nfs/dbraw/zinc/33/11/20/296331120.db2.gz BAEMUDLQFIQLQK-HZPDHXFCSA-N 2 0 300.450 2.855 20 0 DFADRP CCOC(=O)C1([C@@H](C)[NH2+][C@H]2C[C@H](C)C[C@H](C)C2)CC[NH2+]CC1 ZINC000422774486 296331158 /nfs/dbraw/zinc/33/11/58/296331158.db2.gz XEYINLFXGKCZQN-QXSJWSMHSA-N 2 0 310.482 2.722 20 0 DFADRP CCOC(=O)C1([C@@H](C)[NH2+]Cc2ccccc2CC)CC[NH2+]CC1 ZINC000422776511 296331187 /nfs/dbraw/zinc/33/11/87/296331187.db2.gz DTEPYOYYQNLOMX-OAHLLOKOSA-N 2 0 318.461 2.660 20 0 DFADRP C[C@@H](NC[C@H]1CCCC[N@@H+]1Cc1ccccc1)[C@H]1CCC[NH2+]1 ZINC000422776509 296331188 /nfs/dbraw/zinc/33/11/88/296331188.db2.gz CTKXVWOWMXOVQS-BHIYHBOVSA-N 2 0 301.478 2.771 20 0 DFADRP C[C@H](CCCC[NH3+])[NH2+][C@H]1CCCN(c2ccccc2Cl)C1=O ZINC000422777611 296331493 /nfs/dbraw/zinc/33/14/93/296331493.db2.gz FVIHQVVUGQKUNF-HIFRSBDPSA-N 2 0 323.868 2.943 20 0 DFADRP CCOC(=O)C1([C@@H](C)[NH2+][C@H](C)C2CCCCC2)CC[NH2+]CC1 ZINC000422785182 296332336 /nfs/dbraw/zinc/33/23/36/296332336.db2.gz PDAKSPJMMAATGW-HUUCEWRRSA-N 2 0 310.482 2.866 20 0 DFADRP C[C@@H]([NH2+]C1CCN(Cc2ccc(Cl)cc2)CC1)[C@H]1CC[NH2+]C1 ZINC000422784081 296332457 /nfs/dbraw/zinc/33/24/57/296332457.db2.gz LVALOBHTAKYUPW-ZBFHGGJFSA-N 2 0 321.896 2.892 20 0 DFADRP C[C@@H]([NH2+]Cc1ccccc1C[NH+]1CCCCC1)[C@H]1CC[NH2+]C1 ZINC000422788418 296332959 /nfs/dbraw/zinc/33/29/59/296332959.db2.gz NKBRBBDWKJHRAF-SJORKVTESA-N 3 0 301.478 2.760 20 0 DFADRP c1ccc(C[N@H+]2CCCC[C@@H]2CNC2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000422790325 296333392 /nfs/dbraw/zinc/33/33/92/296333392.db2.gz XPSKNDNMVOSPCD-JIRNRHONSA-N 2 0 313.489 2.914 20 0 DFADRP CCOC(=O)C1([C@H](C)[NH2+][C@@H]2CCC[C@H](CC)C2)CC[NH2+]CC1 ZINC000422791606 296333569 /nfs/dbraw/zinc/33/35/69/296333569.db2.gz WHGGJTILGMRDPO-HRCADAONSA-N 2 0 310.482 2.866 20 0 DFADRP COc1ccc(OCC[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)cc1 ZINC000422791512 296333628 /nfs/dbraw/zinc/33/36/28/296333628.db2.gz QGJGMLLCQZHODT-GUDVDZBRSA-N 2 0 318.461 2.974 20 0 DFADRP C[C@@H]([NH3+])[C@@H](Cc1ccccc1)NCCC[NH+]1CCC(C)CC1 ZINC000422791578 296333773 /nfs/dbraw/zinc/33/37/73/296333773.db2.gz WFRBSPKTTDKTCS-IEBWSBKVSA-N 2 0 303.494 2.657 20 0 DFADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]CCNc1ncc(Cl)cc1Cl ZINC000422795177 296333969 /nfs/dbraw/zinc/33/39/69/296333969.db2.gz ZUOAUSCCQBIHGZ-MFKMUULPSA-N 2 0 317.264 2.778 20 0 DFADRP C[C@H](NCc1ccc(C[NH+]2CCCC2)cc1)[C@@H]1CCCC[NH2+]1 ZINC000422795099 296334011 /nfs/dbraw/zinc/33/40/11/296334011.db2.gz ZSZWGUDAJGRHIW-LPHOPBHVSA-N 2 0 301.478 2.903 20 0 DFADRP Cc1c([C@H](C)[NH2+][C@H](C)[C@@H]2CC[NH2+]C2)cnn1-c1ccc(F)cc1 ZINC000422793761 296334018 /nfs/dbraw/zinc/33/40/18/296334018.db2.gz YGBNKTNCKXLEPT-VNHYZAJKSA-N 2 0 316.424 2.968 20 0 DFADRP CC(C)c1ccc([C@@H]([NH3+])CNC(=O)c2ccc3c[nH+]cn3c2)cc1 ZINC000422796071 296334393 /nfs/dbraw/zinc/33/43/93/296334393.db2.gz ILSJVRYBKLQBLJ-SFHVURJKSA-N 2 0 322.412 2.888 20 0 DFADRP C[C@@H](CCC[NH3+])[NH2+]C[C@H](C)Oc1ccc(Br)cc1 ZINC000422795310 296334499 /nfs/dbraw/zinc/33/44/99/296334499.db2.gz HILGHHQNDWVVJU-RYUDHWBXSA-N 2 0 315.255 2.933 20 0 DFADRP Cc1ccc(O[C@H](C)C[NH2+][C@@H]2CCOC[C@@H]2[C@H]2CCC[NH2+]2)cc1 ZINC000422795500 296334501 /nfs/dbraw/zinc/33/45/01/296334501.db2.gz VTUXXPDUBPMUSN-NXWXRZEISA-N 2 0 318.461 2.509 20 0 DFADRP C[C@@H]([NH2+]Cc1ccc(C[NH+]2CCCCC2)cc1)[C@H]1CC[NH2+]C1 ZINC000422796621 296334511 /nfs/dbraw/zinc/33/45/11/296334511.db2.gz YRZAZRKFYCEOHK-APWZRJJASA-N 3 0 301.478 2.760 20 0 DFADRP CCOC(=O)C1([C@H](C)[NH2+][C@@H]2CCc3ccccc32)CC[NH2+]CC1 ZINC000422795772 296334537 /nfs/dbraw/zinc/33/45/37/296334537.db2.gz IBPFAISKNQHJOV-WMLDXEAASA-N 2 0 316.445 2.585 20 0 DFADRP Cc1ccccc1O[C@H](C)C[NH2+][C@@H]1CCOC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000422796791 296334543 /nfs/dbraw/zinc/33/45/43/296334543.db2.gz ZBDWYFGZUMUACT-VSZNYVQBSA-N 2 0 318.461 2.509 20 0 DFADRP COC[C@@H](CCC[NH3+])[NH2+]CCc1csc(-c2ccccc2)n1 ZINC000422794228 296334124 /nfs/dbraw/zinc/33/41/24/296334124.db2.gz YMEGZMQXZSEZIM-OAHLLOKOSA-N 2 0 319.474 2.696 20 0 DFADRP COC[C@H](CCC[NH3+])[NH2+][C@@H](C)c1ccc(OC(F)F)cc1 ZINC000422801848 296335498 /nfs/dbraw/zinc/33/54/98/296335498.db2.gz GHQVCSRAQHUISX-AAEUAGOBSA-N 2 0 302.365 2.693 20 0 DFADRP c1cn(Cc2ccccc2C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)cn1 ZINC000422803957 296335955 /nfs/dbraw/zinc/33/59/55/296335955.db2.gz DRMNARZRDWGDTD-VAMGGRTRSA-N 2 0 324.472 2.942 20 0 DFADRP COC[C@H](CCC[NH3+])[NH2+][C@H](C)c1ccc(OC(F)(F)F)cc1 ZINC000422803999 296335994 /nfs/dbraw/zinc/33/59/94/296335994.db2.gz GSULPICFHDMUSF-YPMHNXCESA-N 2 0 320.355 2.990 20 0 DFADRP CN(C)c1cc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)c2ccccc2n1 ZINC000422809768 296337025 /nfs/dbraw/zinc/33/70/25/296337025.db2.gz QOZGOUVXYALQDC-XYPWUTKMSA-N 2 0 310.445 2.673 20 0 DFADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+][C@@H]1CCCC[C@H]1n1cccn1 ZINC000422809387 296337039 /nfs/dbraw/zinc/33/70/39/296337039.db2.gz MFHOCZSVCRXOAZ-BMGDILEWSA-N 2 0 313.449 2.880 20 0 DFADRP C[C@H](CCC[NH3+])[NH2+]Cc1ccc(C[NH+]2C[C@H](C)O[C@@H](C)C2)cc1 ZINC000422809290 296337081 /nfs/dbraw/zinc/33/70/81/296337081.db2.gz LXCCHZFKCUVNHN-IKGGRYGDSA-N 3 0 319.493 2.513 20 0 DFADRP C[C@H]([NH2+]C1CCC([NH3+])CC1)c1ccc(NC(=O)C2CC2)cc1 ZINC000422810468 296337318 /nfs/dbraw/zinc/33/73/18/296337318.db2.gz UHIHAZFGKOWZFJ-JQRITLKVSA-N 2 0 301.434 2.956 20 0 DFADRP COc1ccc([C@@H]([NH2+][C@H](C)CCCC[NH3+])c2nccn2C)cc1 ZINC000422812178 296337710 /nfs/dbraw/zinc/33/77/10/296337710.db2.gz QDKHCPNURXIUJB-RHSMWYFYSA-N 2 0 316.449 2.625 20 0 DFADRP C[C@@H](CCCC[NH3+])[NH2+]Cc1cc(N(C)C)nc2ccccc12 ZINC000422813131 296337980 /nfs/dbraw/zinc/33/79/80/296337980.db2.gz XOGZXFQYAPOTMD-AWEZNQCLSA-N 2 0 300.450 2.908 20 0 DFADRP CCN(CC)C(=O)c1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000422812408 296337459 /nfs/dbraw/zinc/33/74/59/296337459.db2.gz QHLYKILPKFBHMS-JWTNVVGKSA-N 2 0 315.461 2.541 20 0 DFADRP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccc(NC(=O)C2CC2)cc1 ZINC000422812916 296337463 /nfs/dbraw/zinc/33/74/63/296337463.db2.gz YIPGFULVKMXZMS-GUPASQGTSA-N 2 0 313.445 2.969 20 0 DFADRP CC[C@H](C[NH2+][C@H]1CCCC[C@H]1C[NH3+])N1CCc2ccccc2C1 ZINC000422812581 296337530 /nfs/dbraw/zinc/33/75/30/296337530.db2.gz WOVUDKOBNYWXLM-SXLOBPIMSA-N 2 0 315.505 2.930 20 0 DFADRP C[C@H](NCCC[N@@H+]1CCc2ccccc2C1)[C@H]1CCCC[NH2+]1 ZINC000422812179 296337593 /nfs/dbraw/zinc/33/75/93/296337593.db2.gz VSYUQLPWHNCURF-QFBILLFUSA-N 2 0 301.478 2.555 20 0 DFADRP C[C@H](NCCC[N@@H+]1CCc2ccccc2C1)[C@@H]1CCCC[NH2+]1 ZINC000422812177 296337659 /nfs/dbraw/zinc/33/76/59/296337659.db2.gz VSYUQLPWHNCURF-LPHOPBHVSA-N 2 0 301.478 2.555 20 0 DFADRP C[N@H+](CCN[C@@H]1C[C@H]([NH3+])c2ccccc21)Cc1ccc(F)cc1 ZINC000422818996 296339032 /nfs/dbraw/zinc/33/90/32/296339032.db2.gz LXRXGOOPOXTYHG-RBUKOAKNSA-N 2 0 313.420 2.992 20 0 DFADRP CCCCO[C@@H]1C[C@H]([NH2+][C@@H]2CCOC[C@H]2[C@H]2CCC[NH2+]2)C1(C)C ZINC000422819518 296339102 /nfs/dbraw/zinc/33/91/02/296339102.db2.gz NCUXSMBRXRVISW-OBVSXPTNSA-N 2 0 324.509 2.717 20 0 DFADRP C[C@@H](CCC[NH3+])[NH2+][C@H](c1nccn1C)c1ccc(Cl)cc1 ZINC000422815125 296338514 /nfs/dbraw/zinc/33/85/14/296338514.db2.gz WWONKTXHEOAEDZ-WFASDCNBSA-N 2 0 306.841 2.880 20 0 DFADRP C[C@H](Nc1cc(N2CCCCC2)ncn1)C1CC[NH+](C)CC1 ZINC000623968991 399507551 /nfs/dbraw/zinc/50/75/51/399507551.db2.gz SHPSHOYZQBXKCW-AWEZNQCLSA-N 2 0 303.454 2.609 20 0 DFADRP C[C@@H]([NH2+]Cc1ccc(COCC(F)(F)F)cc1)[C@@H]1CC[NH2+]C1 ZINC000422824534 296339789 /nfs/dbraw/zinc/33/97/89/296339789.db2.gz OBCLGUNTIPSGIT-IUODEOHRSA-N 2 0 316.367 2.853 20 0 DFADRP c1csc(C[NH+]2CCC(C[NH2+][C@H]3CCC[NH2+]CC3)CC2)c1 ZINC000422825154 296339969 /nfs/dbraw/zinc/33/99/69/296339969.db2.gz JESXJNCYXZLWSP-INIZCTEOSA-N 3 0 307.507 2.692 20 0 DFADRP C[C@@H]([NH2+]Cc1cccc(C[NH+]2CCCCCC2)c1)C1C[NH2+]C1 ZINC000422825105 296340063 /nfs/dbraw/zinc/34/00/63/296340063.db2.gz IXOFWHGXBTXFOI-MRXNPFEDSA-N 3 0 301.478 2.760 20 0 DFADRP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]Cc1ccc(COCC(F)(F)F)cc1 ZINC000422826654 296340095 /nfs/dbraw/zinc/34/00/95/296340095.db2.gz RGHGLWHZVVWDTG-GJZGRUSLSA-N 2 0 316.367 2.983 20 0 DFADRP CC(C)[C@H](C[NH2+][C@@H]1CCOC[C@@H]1[C@@H]1CCC[NH2+]1)c1cccnc1 ZINC000422830963 296341174 /nfs/dbraw/zinc/34/11/74/296341174.db2.gz JDBUACWKZDWAHX-ZSYWTGECSA-N 2 0 317.477 2.568 20 0 DFADRP [NH3+]C1CCC([NH2+]C[C@H]2CCCN(Cc3cccs3)C2)CC1 ZINC000422831310 296341227 /nfs/dbraw/zinc/34/12/27/296341227.db2.gz DPQSEFFYCBIONG-QQFBHYJXSA-N 2 0 307.507 2.820 20 0 DFADRP CC[C@@H]([NH2+]CCc1ccc(-n2cccn2)cc1)[C@@H]1CCCC[NH2+]1 ZINC000422829794 296340660 /nfs/dbraw/zinc/34/06/60/296340660.db2.gz UWXXQCMQLPHYAP-MOPGFXCFSA-N 2 0 312.461 2.925 20 0 DFADRP CCc1ccc(C(C)(C)C[NH2+][C@@H]2CCOC[C@@H]2[C@@H](C)[NH3+])cc1 ZINC000422839837 296342343 /nfs/dbraw/zinc/34/23/43/296342343.db2.gz RNKSACULEZRMGU-ZTFGCOKTSA-N 2 0 304.478 2.869 20 0 DFADRP CC[NH+](CC)[C@H](CN[C@H]1CC[NH2+]CC[C@H]1C)Cc1ccccc1 ZINC000422832870 296341411 /nfs/dbraw/zinc/34/14/11/296341411.db2.gz LMEBSIPEUGATHE-HOJAQTOUSA-N 2 0 317.521 2.917 20 0 DFADRP [NH3+][C@@H]1CCCCC[C@H]1[NH2+][C@@H]1CCCN(Cc2ccccc2)C1 ZINC000422834328 296341680 /nfs/dbraw/zinc/34/16/80/296341680.db2.gz NSKXCKKABPYVOF-GUDVDZBRSA-N 2 0 301.478 2.901 20 0 DFADRP CC[C@@H]([NH2+]C1CCN(c2ccccc2OC)CC1)[C@@H]1CCC[NH2+]1 ZINC000422834576 296341843 /nfs/dbraw/zinc/34/18/43/296341843.db2.gz HWDJBZFPDNLWLP-SJORKVTESA-N 2 0 317.477 2.784 20 0 DFADRP CC[C@H](N[C@@H]1CCC[N@H+](Cc2ccccc2)C1)[C@@H]1CCC[NH2+]1 ZINC000422834059 296341845 /nfs/dbraw/zinc/34/18/45/296341845.db2.gz NGDAMSRRFTWZDK-QYZOEREBSA-N 2 0 301.478 2.771 20 0 DFADRP CC(C)(C[NH2+][C@@H]1CCOC[C@H]1[C@H]1CCC[NH2+]1)c1ccccc1 ZINC000422833736 296341888 /nfs/dbraw/zinc/34/18/88/296341888.db2.gz MUVUISYXLVYQJV-RCCFBDPRSA-N 2 0 302.462 2.711 20 0 DFADRP C[C@H]([NH2+]CC1(c2ccccc2)CCOCC1)[C@@H]1CCCC[NH2+]1 ZINC000422843694 296343386 /nfs/dbraw/zinc/34/33/86/296343386.db2.gz JFDLRBBHKSEDDF-WMZOPIPTSA-N 2 0 302.462 2.855 20 0 DFADRP [NH3+]C[C@@H]1CCC[C@H]1[NH2+]Cc1ccc(NC(=O)c2cccnc2)cc1 ZINC000422843450 296343417 /nfs/dbraw/zinc/34/34/17/296343417.db2.gz IILUZTJZTHBGEZ-MAUKXSAKSA-N 2 0 324.428 2.551 20 0 DFADRP c1csc(C[N@H+]2CCC[C@H](CNC3C[C@H]4CC[C@@H](C3)[NH2+]4)C2)c1 ZINC000422838489 296342496 /nfs/dbraw/zinc/34/24/96/296342496.db2.gz OOEIENZBVRLBGB-VPSFDDGASA-N 2 0 319.518 2.833 20 0 DFADRP C[C@H]([NH3+])[C@H]1COCC[C@@H]1[NH2+]CC1(c2ccc(F)cc2)CCC1 ZINC000422841419 296342660 /nfs/dbraw/zinc/34/26/60/296342660.db2.gz CYNDZILFAMIEIM-XKQJLSEDSA-N 2 0 306.425 2.589 20 0 DFADRP CC(C)[C@@H](CN[C@H](C)c1c[nH+]ccc1N)[NH+]1CCC(C)CC1 ZINC000422840375 296342675 /nfs/dbraw/zinc/34/26/75/296342675.db2.gz BKUSTWKDUBWLDM-CRAIPNDOSA-N 2 0 304.482 2.901 20 0 DFADRP [NH3+]C1CCC([NH2+]Cc2ccc(NC(=O)c3ccncc3)cc2)CC1 ZINC000422842584 296343011 /nfs/dbraw/zinc/34/30/11/296343011.db2.gz GAXZWEXXCKXKQZ-UHFFFAOYSA-N 2 0 324.428 2.693 20 0 DFADRP Cc1ccc(C[NH2+][C@H](C)C[C@@H](C)[NH3+])c(OC[C@@H]2CCOC2)c1 ZINC000422849199 296344363 /nfs/dbraw/zinc/34/43/63/296344363.db2.gz BNTUJVVDSHSBNT-BZUAXINKSA-N 2 0 306.450 2.626 20 0 DFADRP Clc1cccc([C@@H](CNC2CC[NH2+]CC2)[NH+]2CCCC2)c1 ZINC000422848487 296344378 /nfs/dbraw/zinc/34/43/78/296344378.db2.gz UBESAROQGBRATC-QGZVFWFLSA-N 2 0 307.869 2.819 20 0 DFADRP COCCOc1ccccc1C[NH+]1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000347069139 285010999 /nfs/dbraw/zinc/01/09/99/285010999.db2.gz OITNEHBKLZIKPP-SFHVURJKSA-N 2 0 318.461 2.676 20 0 DFADRP C[C@H](CC[NH2+][C@@H]1CCOC[C@@H]1[C@H]1CCC[NH2+]1)c1ccccc1 ZINC000422853345 296345290 /nfs/dbraw/zinc/34/52/90/296345290.db2.gz SAODVYHIFGUDME-NXWXRZEISA-N 2 0 302.462 2.927 20 0 DFADRP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1[NH2+]C[C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000422856632 296345605 /nfs/dbraw/zinc/34/56/05/296345605.db2.gz XFFBOGOTKYBPEV-ZSLBOAEBSA-N 2 0 308.388 2.697 20 0 DFADRP CC[C@@H]([NH2+]C1CCN(c2ccccn2)CC1)[C@@H]1CCCC[NH2+]1 ZINC000422860842 296346521 /nfs/dbraw/zinc/34/65/21/296346521.db2.gz LWUHWVUEHXBRMQ-SJORKVTESA-N 2 0 302.466 2.561 20 0 DFADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+][C@@H]1CCN(c2ccccc2)C1 ZINC000422864187 296346865 /nfs/dbraw/zinc/34/68/65/296346865.db2.gz ULXFGYCXUDFYTQ-DOTOQJQBSA-N 2 0 310.445 2.778 20 0 DFADRP CCOCCOCc1cccc(C[NH2+][C@@H]2CCCC[C@@H]2C[NH3+])c1 ZINC000422860255 296346221 /nfs/dbraw/zinc/34/62/21/296346221.db2.gz LFABNLUXQLCLBN-RTBURBONSA-N 2 0 320.477 2.847 20 0 DFADRP COCCOc1cc(C)ccc1C[NH2+][C@H]1CCCC[C@@H]1C[NH3+] ZINC000422861033 296346369 /nfs/dbraw/zinc/34/63/69/296346369.db2.gz ITRNDVJQRSBLIV-WBVHZDCISA-N 2 0 306.450 2.627 20 0 DFADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+][C@H]1CCN(c2c(F)cccc2F)C1 ZINC000422871235 296348143 /nfs/dbraw/zinc/34/81/43/296348143.db2.gz YLQLBTPOQZUZPL-DVOMOZLQSA-N 2 0 309.404 2.521 20 0 DFADRP CC[C@@H](C(=O)N[C@](C)(C[NH3+])CC(C)C)[N@H+](C)Cc1ccccc1 ZINC000422866363 296347155 /nfs/dbraw/zinc/34/71/55/296347155.db2.gz QIGGHFLFHNFGSV-HKUYNNGSSA-N 2 0 319.493 2.777 20 0 DFADRP CCOCCOc1cc(C)ccc1C[NH2+][C@@H]1CCC[C@H]1C[NH3+] ZINC000422870729 296347613 /nfs/dbraw/zinc/34/76/13/296347613.db2.gz YBDGUTZWNDGBFI-DOTOQJQBSA-N 2 0 306.450 2.627 20 0 DFADRP COc1ccc(C[NH2+][C@@H]2CCC[C@H]2C[NH3+])c(C(F)(F)F)c1 ZINC000422877212 296349154 /nfs/dbraw/zinc/34/91/54/296349154.db2.gz HJGAFPUSVRTDBH-IINYFYTJSA-N 2 0 302.340 2.931 20 0 DFADRP CCOc1ccc(C2(C[NH2+][C@H](C)C[C@@H](C)[NH3+])CCOCC2)cc1 ZINC000422874542 296348524 /nfs/dbraw/zinc/34/85/24/296348524.db2.gz AIJHRXYXVIVHST-HZPDHXFCSA-N 2 0 320.477 2.849 20 0 DFADRP C[C@@H]1CCC[N@H+](Cc2ccccc2CN[C@H]2CCC[C@H]2[NH3+])C1 ZINC000422874838 296348860 /nfs/dbraw/zinc/34/88/60/296348860.db2.gz DINFTDGXKHFZPP-LZQZEXGQSA-N 2 0 301.478 2.888 20 0 DFADRP CC[N@H+](CCN[C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)C(C)C ZINC000422883874 296350128 /nfs/dbraw/zinc/35/01/28/296350128.db2.gz VUXALTNBLLUYTR-HKUYNNGSSA-N 2 0 317.477 2.562 20 0 DFADRP C[C@H]([NH3+])[C@@H](Cc1ccccc1)NCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000422884342 296350190 /nfs/dbraw/zinc/35/01/90/296350190.db2.gz RWBBFLXSMLQZIR-HLNWXESRSA-N 2 0 317.521 2.903 20 0 DFADRP Cc1ccc(C[NH2+][C@@H]2CCC[C@H]2C[NH3+])c(OC[C@@H]2CCCO2)c1 ZINC000422881586 296349877 /nfs/dbraw/zinc/34/98/77/296349877.db2.gz ZALXUWNYVQKYOD-RYQLBKOJSA-N 2 0 318.461 2.770 20 0 DFADRP C[C@@H](CCC[NH3+])[NH2+][C@H]1[C@H](C)C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000422886838 296350950 /nfs/dbraw/zinc/35/09/50/296350950.db2.gz JTEASGNFQJQNNW-MJQMVNBJSA-N 3 0 303.494 2.860 20 0 DFADRP COc1cc(OC)c(CC[NH2+][C@H]2CCCCC[C@H]2[NH3+])c(OC)c1 ZINC000422886824 296350968 /nfs/dbraw/zinc/35/09/68/296350968.db2.gz JSRPFHXQGXGBPM-CVEARBPZSA-N 2 0 322.449 2.505 20 0 DFADRP Cc1cc(N2CC([NH+](C)C)C2)c2cc(OC(F)F)ccc2[nH+]1 ZINC000347408261 285038260 /nfs/dbraw/zinc/03/82/60/285038260.db2.gz MLPBFIUTSODFAD-UHFFFAOYSA-N 2 0 307.344 2.895 20 0 DFADRP COC1CC[NH+](C(C)(C)CN[C@@H]2C[C@@H]([NH3+])c3ccccc32)CC1 ZINC000422891291 296351409 /nfs/dbraw/zinc/35/14/09/296351409.db2.gz VBYRXTPMEFXNIG-QZTJIDSGSA-N 2 0 317.477 2.610 20 0 DFADRP CC[NH+](CC)CCOc1ccc(C[NH2+]C2CCC([NH3+])CC2)cc1 ZINC000422892074 296351601 /nfs/dbraw/zinc/35/16/01/296351601.db2.gz LZBAJHCUMIQRFD-UHFFFAOYSA-N 3 0 319.493 2.767 20 0 DFADRP C[C@H](N[C@H]1[C@H](C)C[N@@H+](Cc2ccccc2)C[C@@H]1C)[C@@H]1CCC[NH2+]1 ZINC000422887058 296350782 /nfs/dbraw/zinc/35/07/82/296350782.db2.gz JXTSWTJYQZGEDB-SQIBXOBRSA-N 2 0 315.505 2.873 20 0 DFADRP COc1ccc(C)cc1C1(C[NH2+][C@H](C)C[C@H](C)[NH3+])CCOCC1 ZINC000422901884 296352951 /nfs/dbraw/zinc/35/29/51/296352951.db2.gz SQYJXTVOPKCNEP-JKSUJKDBSA-N 2 0 320.477 2.767 20 0 DFADRP COC[C@H](CCC[NH3+])[NH2+]Cc1nc2cc(Cl)ccc2s1 ZINC000422900596 296353009 /nfs/dbraw/zinc/35/30/09/296353009.db2.gz JRZOEGWLSGCRSW-NSHDSACASA-N 2 0 313.854 2.793 20 0 DFADRP CCCC[C@H](C[NH3+])NC(=O)[C@@H](CC)[N@H+](C)Cc1ccccc1 ZINC000422900554 296353142 /nfs/dbraw/zinc/35/31/42/296353142.db2.gz JOLAKUINJJPUKO-IAGOWNOFSA-N 2 0 305.466 2.531 20 0 DFADRP COc1ccc(COCCC[NH2+][C@@H](C)[C@H]2CCCC[NH2+]2)cc1 ZINC000422902458 296353318 /nfs/dbraw/zinc/35/33/18/296353318.db2.gz DFWBNQNPCWYIEM-MAUKXSAKSA-N 2 0 306.450 2.722 20 0 DFADRP C[C@@H]([NH2+]Cc1ccccc1C[N@H+]1C[C@H](C)C[C@H](C)C1)C1C[NH2+]C1 ZINC000422893987 296351886 /nfs/dbraw/zinc/35/18/86/296351886.db2.gz RXEYBXZEKKSSCO-IXDOHACOSA-N 3 0 315.505 2.862 20 0 DFADRP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)[C@H](C)CO ZINC000347415961 285043386 /nfs/dbraw/zinc/04/33/86/285043386.db2.gz PQUNHHBOWUDYFS-ZLTBNTPESA-N 2 0 302.462 2.789 20 0 DFADRP Cc1nccn1-c1ccc(C[NH2+][C@H]2CC[NH2+]CC[C@H]2C)cc1F ZINC000422904875 296353932 /nfs/dbraw/zinc/35/39/32/296353932.db2.gz QYDHZMKXGKHXGP-DYVFJYSZSA-N 2 0 316.424 2.798 20 0 DFADRP CC(C)c1nc(CC[NH2+][C@@H]2CCOC[C@@H]2[C@H]2CCC[NH2+]2)cs1 ZINC000422907261 296354154 /nfs/dbraw/zinc/35/41/54/296354154.db2.gz WSEBLBNVWKFNLP-BZUAXINKSA-N 2 0 323.506 2.556 20 0 DFADRP COc1ccc(Cl)cc1N1CC[C@@H]([NH2+][C@@H](C)CCC[NH3+])C1 ZINC000422906501 296354408 /nfs/dbraw/zinc/35/44/08/296354408.db2.gz JZSQAZXCEBYTLV-GXTWGEPZSA-N 2 0 311.857 2.644 20 0 DFADRP C[C@H]1CC[NH2+]CC[C@H]1[NH2+]CCCc1nc2c(s1)CCCC2 ZINC000422906108 296354434 /nfs/dbraw/zinc/35/44/34/296354434.db2.gz JDHJOPHWWCQBEX-UONOGXRCSA-N 2 0 307.507 2.932 20 0 DFADRP COc1ccc(Cl)cc1N1CC[C@H]([NH2+][C@H]2CCC[C@H]2C[NH3+])C1 ZINC000422909704 296354569 /nfs/dbraw/zinc/35/45/69/296354569.db2.gz OUIYMDYOHIZJQA-QEJZJMRPSA-N 2 0 323.868 2.644 20 0 DFADRP COc1cccc(N2CC[C@@H](C[NH2+][C@@H](C)CCCC[NH3+])C2)c1 ZINC000422908347 296354614 /nfs/dbraw/zinc/35/46/14/296354614.db2.gz YHQYMPDPIDCFNK-HOTGVXAUSA-N 2 0 305.466 2.629 20 0 DFADRP C[C@H]([NH2+]C[C@H]1CCCCN1Cc1cccc(Cl)c1)C1C[NH2+]C1 ZINC000422910503 296354707 /nfs/dbraw/zinc/35/47/07/296354707.db2.gz QVCDVEGHNFEHEM-KBXCAEBGSA-N 2 0 321.896 2.892 20 0 DFADRP CCC[C@H]([NH2+][C@@H](C)CCC[NH3+])C(=O)N1CCc2sccc2C1 ZINC000422908165 296354729 /nfs/dbraw/zinc/35/47/29/296354729.db2.gz LZFVAHAERMKMIK-ZFWWWQNUSA-N 2 0 323.506 2.519 20 0 DFADRP CCc1nc(CN2CCC(C[NH2+][C@H](C)CCC[NH3+])CC2)cs1 ZINC000422914521 296355285 /nfs/dbraw/zinc/35/52/85/296355285.db2.gz UPBCGAIXXSEYPR-CQSZACIVSA-N 2 0 324.538 2.635 20 0 DFADRP COC[C@@H](CCC[NH3+])[NH2+][C@@H](C)c1nc(-c2ccncc2)cs1 ZINC000422914842 296355380 /nfs/dbraw/zinc/35/53/80/296355380.db2.gz WFNVSORQTDKGRD-GXTWGEPZSA-N 2 0 320.462 2.610 20 0 DFADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+][C@@H]1CCN(c2ncccc2Cl)C1 ZINC000119964251 195071046 /nfs/dbraw/zinc/07/10/46/195071046.db2.gz PXNDSVJQSVFXCS-KQTLUZQSSA-N 2 0 322.884 2.632 20 0 DFADRP Cc1cccc(NCC[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)n1 ZINC000422919869 296355634 /nfs/dbraw/zinc/35/56/34/296355634.db2.gz LCCFPTQCBFAKEH-YESZJQIVSA-N 2 0 302.466 2.702 20 0 DFADRP CC[NH+](CC)[C@H](CNC(=O)[C@]1(C)CCC[NH2+]C1)c1ccsc1 ZINC000119968209 195072039 /nfs/dbraw/zinc/07/20/39/195072039.db2.gz WYCPLXXFSJIOOR-NVXWUHKLSA-N 2 0 323.506 2.637 20 0 DFADRP CC(C)[C@@H](CN[C@@H](C)C[C@H](C)[NH3+])[N@@H+]1CCc2ccccc2C1 ZINC000422925606 296356107 /nfs/dbraw/zinc/35/61/07/296356107.db2.gz BIPYLAXEGWVCAA-TXPKVOOTSA-N 2 0 303.494 2.785 20 0 DFADRP COc1cccc(N2CC[C@H](C[NH2+]C3CCC(C[NH3+])CC3)C2)c1 ZINC000422908817 296354771 /nfs/dbraw/zinc/35/47/71/296354771.db2.gz ZKCYSKGBFIFYTJ-AQFXKWCLSA-N 2 0 317.477 2.629 20 0 DFADRP C[C@H](CCC[NH3+])[NH2+][C@@H]1CCCN(Cc2c(F)cccc2F)C1 ZINC000422911306 296354855 /nfs/dbraw/zinc/35/48/55/296354855.db2.gz SQNXBHQVLHQWIE-ZIAGYGMSSA-N 2 0 311.420 2.646 20 0 DFADRP Cc1csc(CCCC[NH2+][C@@H]2CCOC[C@H]2[C@@H]2CCC[NH2+]2)n1 ZINC000422911682 296354932 /nfs/dbraw/zinc/35/49/32/296354932.db2.gz UFBKIJOQYYICHE-HRCADAONSA-N 2 0 323.506 2.521 20 0 DFADRP COc1ccc(Cl)cc1N1CC[C@H]([NH2+][C@@H](C)[C@@H]2CC[NH2+]C2)C1 ZINC000422911466 296355051 /nfs/dbraw/zinc/35/50/51/296355051.db2.gz SXIVMPCFLDMANL-GUTXKFCHSA-N 2 0 323.868 2.515 20 0 DFADRP [NH3+]C[C@H]1CCCC[C@H]1[NH2+]CCc1cc(Cl)c2c(c1)OCCO2 ZINC000422930129 296356757 /nfs/dbraw/zinc/35/67/57/296356757.db2.gz SGWVJIRYORXFPE-UKRRQHHQSA-N 2 0 324.852 2.761 20 0 DFADRP C[C@H]1CC[NH2+]CC[C@H]1[NH2+]CCc1cc(Cl)c2c(c1)OCCO2 ZINC000422930517 296356864 /nfs/dbraw/zinc/35/68/64/296356864.db2.gz USTHSOMEOXYUJH-SWLSCSKDSA-N 2 0 324.852 2.631 20 0 DFADRP CC(C)CCOc1ccccc1C[NH2+][C@@H]1CCOC[C@H]1[C@@H](C)[NH3+] ZINC000422932466 296357184 /nfs/dbraw/zinc/35/71/84/296357184.db2.gz FWWNKNOKSYZOQG-BPQIPLTHSA-N 2 0 320.477 2.953 20 0 DFADRP C[C@H]([NH3+])C[C@H](C)[NH2+]Cc1ccccc1C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000422933993 296357271 /nfs/dbraw/zinc/35/72/71/296357271.db2.gz BWQDHULILNQWOJ-MWDXBVQZSA-N 3 0 319.493 2.511 20 0 DFADRP CSC1(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)CCOCC1 ZINC000422923649 296356213 /nfs/dbraw/zinc/35/62/13/296356213.db2.gz SHOUVUMRQWAFHU-HRCADAONSA-N 2 0 312.523 2.799 20 0 DFADRP CC(C)[C@H](CN[C@@H]1CCC[C@@H]1[NH3+])[N@@H+]1CCc2ccccc2C1 ZINC000422937660 296357892 /nfs/dbraw/zinc/35/78/92/296357892.db2.gz JQDSGKOALUKEBI-OTWHNJEPSA-N 2 0 301.478 2.539 20 0 DFADRP c1cc2c(cc1[C@H]([NH2+][C@@H]1CCC[NH2+]CC1)C1CC1)OCCO2 ZINC000422938570 296358141 /nfs/dbraw/zinc/35/81/41/296358141.db2.gz HEZRGCYVTDVYFR-CRAIPNDOSA-N 2 0 302.418 2.641 20 0 DFADRP CCCCNC(=O)c1ccc(C[NH2+][C@@H]2CC[NH2+]CC[C@@H]2C)cc1 ZINC000422942755 296358518 /nfs/dbraw/zinc/35/85/18/296358518.db2.gz PYJDWASMSBMWPS-MAUKXSAKSA-N 2 0 317.477 2.694 20 0 DFADRP [NH3+]C[C@@H]1CCC[C@H]1[NH2+]CCOc1cccc(Br)c1 ZINC000422943347 296358673 /nfs/dbraw/zinc/35/86/73/296358673.db2.gz LCJPEEMREQYPJI-SMDDNHRTSA-N 2 0 313.239 2.545 20 0 DFADRP C[C@H]([NH2+]CC1(c2ccc(Cl)cc2)CCOCC1)[C@@H]1CC[NH2+]C1 ZINC000422935802 296357511 /nfs/dbraw/zinc/35/75/11/296357511.db2.gz DTCODCCBVJOUDT-LSDHHAIUSA-N 2 0 322.880 2.976 20 0 DFADRP C[C@@H]([NH2+]CC1(c2ccc(Cl)cc2)CCOCC1)[C@H]1CC[NH2+]C1 ZINC000422935799 296357627 /nfs/dbraw/zinc/35/76/27/296357627.db2.gz DTCODCCBVJOUDT-CABCVRRESA-N 2 0 322.880 2.976 20 0 DFADRP CC[C@H]([NH2+][C@@H]1CC[NH2+]CC[C@@H]1C)c1ccc2c(c1)OCCO2 ZINC000422947108 296359369 /nfs/dbraw/zinc/35/93/69/296359369.db2.gz PXKFEGHKOVBHHM-CWRNSKLLSA-N 2 0 304.434 2.887 20 0 DFADRP [NH3+]C1CCC([NH2+]CCCC(=O)Nc2ccc(Cl)cc2)CC1 ZINC000422948472 296359584 /nfs/dbraw/zinc/35/95/84/296359584.db2.gz RLAUJUFKCNKFAJ-UHFFFAOYSA-N 2 0 309.841 2.918 20 0 DFADRP c1cnc2c(c1)cccc2OCCC[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000422952165 296360014 /nfs/dbraw/zinc/36/00/14/296360014.db2.gz AEESCTYCISXBFG-SJPCQFCGSA-N 2 0 311.429 2.876 20 0 DFADRP C[C@@H]1C[N@@H+](Cc2cccc(NC3CCC([NH3+])CC3)c2)C[C@H](C)O1 ZINC000422953641 296360227 /nfs/dbraw/zinc/36/02/27/296360227.db2.gz GCZYJBCLWBYXQE-BXXOZEPKSA-N 2 0 317.477 2.978 20 0 DFADRP [NH3+][C@H]1CCCCC[C@H]1[NH2+]Cc1cccc(CN2CCCC2=O)c1 ZINC000422953710 296360272 /nfs/dbraw/zinc/36/02/72/296360272.db2.gz GGMPMNSOEJDEPC-ZWKOTPCHSA-N 2 0 315.461 2.559 20 0 DFADRP CC(C)(CO)[C@H](C[NH2+][C@@H]1CCCC[C@@H]1C[NH3+])c1ccccc1 ZINC000422962235 296361375 /nfs/dbraw/zinc/36/13/75/296361375.db2.gz CFHYALHOBLTUMJ-KZNAEPCWSA-N 2 0 304.478 2.896 20 0 DFADRP C[C@@H]([NH3+])C[C@@H](C)[NH2+]CCNc1cccc(Br)c1 ZINC000422966687 296362150 /nfs/dbraw/zinc/36/21/50/296362150.db2.gz RSLYDQMYHOBHAQ-GHMZBOCLSA-N 2 0 300.244 2.576 20 0 DFADRP C[C@@H](Nc1cccc(C[NH+]2C[C@@H](C)O[C@H](C)C2)c1)[C@H]1CCC[NH2+]1 ZINC000422958901 296361136 /nfs/dbraw/zinc/36/11/36/296361136.db2.gz ZHDFPDQQIZARQS-YKTARERQSA-N 2 0 317.477 2.848 20 0 DFADRP C[C@@H]([NH2+]Cc1ccnc(OCc2ccccc2)c1)[C@H]1CC[NH2+]C1 ZINC000422971416 296362923 /nfs/dbraw/zinc/36/29/23/296362923.db2.gz IRPVBOBARQAVNW-QAPCUYQASA-N 2 0 311.429 2.748 20 0 DFADRP C[NH+](C)Cc1ccc(-c2ccccc2CN[C@@H]2CC[NH2+]C2)cc1 ZINC000422969663 296362965 /nfs/dbraw/zinc/36/29/65/296362965.db2.gz VBCVTNNDWKDOGW-LJQANCHMSA-N 2 0 309.457 2.867 20 0 DFADRP c1oc2ccccc2c1C[NH2+][C@@H]1CCOC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000422976739 296363334 /nfs/dbraw/zinc/36/33/34/296363334.db2.gz DTFBDJGIKHQSIF-BRWVUGGUSA-N 2 0 300.402 2.680 20 0 DFADRP [NH3+][C@@H]1C[C@@H]([NH2+][C@H](CO)Cc2c[nH]c3ccccc23)c2ccccc21 ZINC000422978750 296363650 /nfs/dbraw/zinc/36/36/50/296363650.db2.gz KMFDPSOWBKLBCE-BOUXLOLZSA-N 2 0 321.424 2.806 20 0 DFADRP C[C@H]([NH2+]CCc1nc(-c2cccc(Cl)c2)no1)[C@H]1CC[NH2+]C1 ZINC000422983660 296363907 /nfs/dbraw/zinc/36/39/07/296363907.db2.gz ULRJCFHQGDEMHL-AAEUAGOBSA-N 2 0 320.824 2.520 20 0 DFADRP CCCOc1ccc(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)cn1 ZINC000422981438 296363948 /nfs/dbraw/zinc/36/39/48/296363948.db2.gz SUYKFIKLTCWLPI-BRWVUGGUSA-N 2 0 303.450 2.881 20 0 DFADRP Cc1cc(C[C@H](C)[NH2+][C@H](C)CCC[NH3+])n(-c2ccccc2)n1 ZINC000422994450 296364993 /nfs/dbraw/zinc/36/49/93/296364993.db2.gz HRKOFOPSJUCHPJ-CABCVRRESA-N 2 0 300.450 2.829 20 0 DFADRP CC(C)(CCCO)C[NH2+][C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422993636 296365027 /nfs/dbraw/zinc/36/50/27/296365027.db2.gz RWHWGJJVIKWTPN-APWZRJJASA-N 2 0 318.461 2.631 20 0 DFADRP CC[C@H](C[C@H](C)CO)[NH2+][C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423002362 296365823 /nfs/dbraw/zinc/36/58/23/296365823.db2.gz FZFTUCDIMUTJTP-HIRMHNASSA-N 2 0 318.461 2.629 20 0 DFADRP OC[C@H](C[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1)c1ccccc1 ZINC000423001197 296366060 /nfs/dbraw/zinc/36/60/60/296366060.db2.gz DESLLJOUOVVVQO-WJFTUGDTSA-N 2 0 302.462 2.663 20 0 DFADRP CCC(CC)(CO)C[NH2+][C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423003220 296366189 /nfs/dbraw/zinc/36/61/89/296366189.db2.gz LBVFVSSZHHADPF-QFBILLFUSA-N 2 0 318.461 2.631 20 0 DFADRP C[C@@H](C[NH2+]C1CCC([NH3+])CC1)c1nc(-c2ccccc2)no1 ZINC000423008423 296367212 /nfs/dbraw/zinc/36/72/12/296367212.db2.gz AEALDHJOSKQTLX-GRTSSRMGSA-N 2 0 300.406 2.700 20 0 DFADRP C[N@H+](Cc1ccco1)Cc1ccccc1CN[C@H]1CCC[C@@H]1[NH3+] ZINC000423009389 296367247 /nfs/dbraw/zinc/36/72/47/296367247.db2.gz VLIDSSYPPVABKL-OALUTQOASA-N 2 0 313.445 2.881 20 0 DFADRP C[C@@H]1C[C@@H](CC[NH2+][C@H]2CNCC[C@H]2C)C[N@@H+]1Cc1ccccc1 ZINC000423006556 296366537 /nfs/dbraw/zinc/36/65/37/296366537.db2.gz VTDGRWSYWSYCQU-LFGUQSLTSA-N 2 0 315.505 2.875 20 0 DFADRP CCC[C@H](CCO)C[NH2+][C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423006364 296366675 /nfs/dbraw/zinc/36/66/75/296366675.db2.gz OJCLZQHZMYXDDE-SUMDDJOVSA-N 2 0 318.461 2.631 20 0 DFADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]CCc1c[nH]c2ncccc12 ZINC000423006486 296366795 /nfs/dbraw/zinc/36/67/95/296366795.db2.gz VKYDTICJXUVPGN-LBPRGKRZSA-N 2 0 309.417 2.618 20 0 DFADRP C[C@H](CCC[NH3+])[NH2+][C@H]1CCN(C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000423009016 296366970 /nfs/dbraw/zinc/36/69/70/296366970.db2.gz BPFVNRYTBPFPFA-RLCCDNCMSA-N 2 0 313.848 2.941 20 0 DFADRP C[C@H]([NH3+])[C@@H]1COCC[C@H]1[NH2+]C[C@@]1(C)CCCc2ccccc21 ZINC000423017319 296368187 /nfs/dbraw/zinc/36/81/87/296368187.db2.gz OLRFADCABPRXNN-IAAVTCLWSA-N 2 0 302.462 2.623 20 0 DFADRP COc1ccccc1OC[C@@H](C)C[NH2+][C@H](C)[C@H]1CCCC[NH2+]1 ZINC000423024330 296369072 /nfs/dbraw/zinc/36/90/72/296369072.db2.gz LMTGGNNTEBAURV-ARFHVFGLSA-N 2 0 306.450 2.830 20 0 DFADRP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]CC1([C@@H](C)CCO)CCC1 ZINC000423019621 296368469 /nfs/dbraw/zinc/36/84/69/296368469.db2.gz WMUBPIXZUJPWAR-BQFCYCMXSA-N 2 0 304.478 2.723 20 0 DFADRP COc1ccccc1OC[C@H](C)C[NH2+][C@@H]1CC[NH2+]CC[C@@H]1C ZINC000423020869 296368492 /nfs/dbraw/zinc/36/84/92/296368492.db2.gz DAESMXYVNOIMBQ-OWCLPIDISA-N 2 0 306.450 2.688 20 0 DFADRP C[C@H](CCO)C1(C[NH2+][C@H](Cc2ccccc2)[C@H](C)[NH3+])CCC1 ZINC000423019623 296368638 /nfs/dbraw/zinc/36/86/38/296368638.db2.gz WMUBPIXZUJPWAR-SOLBZPMBSA-N 2 0 304.478 2.723 20 0 DFADRP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+][C@H]1CCN(c2ccc(Cl)c(F)c2)C1 ZINC000423021461 296368831 /nfs/dbraw/zinc/36/88/31/296368831.db2.gz FEONPFSPEKYNBM-MKBNYLNASA-N 2 0 311.832 2.775 20 0 DFADRP CC(C)[NH+]1CCN(c2cccc(N[C@H]3C[NH2+]CC[C@@H]3C)c2)CC1 ZINC000423022396 296368910 /nfs/dbraw/zinc/36/89/10/296368910.db2.gz FDRUWERELOPLFF-LPHOPBHVSA-N 2 0 316.493 2.627 20 0 DFADRP COC[C@@H](CCC[NH3+])[NH2+][C@H](c1cccc(C)c1)c1ccccn1 ZINC000423033241 296370214 /nfs/dbraw/zinc/37/02/14/296370214.db2.gz ZHSQBGBLVDNCCW-IEBWSBKVSA-N 2 0 313.445 2.823 20 0 DFADRP CC(C)[NH+]1CCN(c2cccc(N[C@H](C)[C@H]3CC[NH2+]C3)c2)CC1 ZINC000423033513 296370307 /nfs/dbraw/zinc/37/03/07/296370307.db2.gz WZBYTXNAZQUTLR-SJORKVTESA-N 2 0 316.493 2.627 20 0 DFADRP COC[C@H](CCC[NH3+])[NH2+][C@H](C)[C@@H](OC)c1ccccc1Cl ZINC000423029404 296369574 /nfs/dbraw/zinc/36/95/74/296369574.db2.gz AASYRAMTWUMPMG-DVOMOZLQSA-N 2 0 314.857 2.760 20 0 DFADRP CC(C)[NH+]1CCN(c2cccc(N[C@H](C)C[C@H](C)[NH3+])c2)CC1 ZINC000423028841 296369639 /nfs/dbraw/zinc/36/96/39/296369639.db2.gz RKRMVJKUTRMSSZ-JKSUJKDBSA-N 2 0 304.482 2.755 20 0 DFADRP COc1ccc(C[C@@H](C)C[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1OC ZINC000423028995 296369672 /nfs/dbraw/zinc/36/96/72/296369672.db2.gz ULVRKVUIGMVUQY-KTFSGNIMSA-N 2 0 318.461 2.755 20 0 DFADRP COCC[C@H](Cc1ccco1)[NH2+][C@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000423028568 296369695 /nfs/dbraw/zinc/36/96/95/296369695.db2.gz GSEDGPRVBQPQPB-XWIAVFTESA-N 2 0 300.402 2.962 20 0 DFADRP C[C@H]([NH3+])[C@H](Cc1ccccc1)NCC[C@H](C)[NH+]1CCCCC1 ZINC000423031487 296370031 /nfs/dbraw/zinc/37/00/31/296370031.db2.gz LAOSVIORNBNQFT-LNLFQRSKSA-N 2 0 303.494 2.799 20 0 DFADRP [NH3+]C[C@@H]1CCC[C@H]1[NH2+][C@@H]1CCN(c2ccc(F)c(Cl)c2)C1 ZINC000423038055 296370447 /nfs/dbraw/zinc/37/04/47/296370447.db2.gz CGZYTVYXMMZNRG-HWWQOWPSSA-N 2 0 311.832 2.775 20 0 DFADRP Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)[NH2+][C@@H](C)CCC[NH3+] ZINC000423042225 296370842 /nfs/dbraw/zinc/37/08/42/296370842.db2.gz KPEDRJADYJZREQ-UWVGGRQHSA-N 2 0 306.376 2.840 20 0 DFADRP c1ccc2c(c1)CC([NH2+][C@H]1C[C@]3(CC[NH2+]C3)Oc3ccccc31)C2 ZINC000423040202 296370845 /nfs/dbraw/zinc/37/08/45/296370845.db2.gz SMOBREWWYLDGLI-FPOVZHCZSA-N 2 0 320.436 2.999 20 0 DFADRP CCC[N@H+](C)CC(C)(C)NC(=O)C[C@H](c1ccccc1)[NH+](C)C ZINC000620622225 399545122 /nfs/dbraw/zinc/54/51/22/399545122.db2.gz HXJONIVGUDXMNE-QGZVFWFLSA-N 2 0 319.493 2.916 20 0 DFADRP [NH3+]CC[C@@H]1CCCCN1C(=O)c1cccc(C[NH+]2CCCC2)c1 ZINC000286280157 218889593 /nfs/dbraw/zinc/88/95/93/218889593.db2.gz WLPKCYXZPKFAKO-SFHVURJKSA-N 2 0 315.461 2.626 20 0 DFADRP C[C@H]1CN(Cc2ccccc2)C[C@@H]1[NH2+]C1CCC(C[NH3+])CC1 ZINC000423045397 296371292 /nfs/dbraw/zinc/37/12/92/296371292.db2.gz CWZRVORGTPQTSZ-GSHBMFQSSA-N 2 0 301.478 2.614 20 0 DFADRP Cc1nc(C[NH3+])ccc1[C@@H](C)N[C@H](C)C[NH+]1CCCCCC1 ZINC000423045045 296371339 /nfs/dbraw/zinc/37/13/39/296371339.db2.gz BGBZAZSMRBSQAT-HUUCEWRRSA-N 2 0 304.482 2.764 20 0 DFADRP FC(F)c1ccc(C[NH2+][C@@H]2CCOC[C@H]2[C@@H]2CCC[NH2+]2)cc1 ZINC000423045333 296371458 /nfs/dbraw/zinc/37/14/58/296371458.db2.gz CSPXSLPDWGUAJN-HRCADAONSA-N 2 0 310.388 2.871 20 0 DFADRP COc1ccc2c(c1)CCC[C@H]2C[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000423046891 296371676 /nfs/dbraw/zinc/37/16/76/296371676.db2.gz GGPJLKIHGHOSTQ-PMRDEQMMSA-N 2 0 300.446 2.988 20 0 DFADRP Cc1cccc(C[C@H](CO)[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)c1 ZINC000423053564 296372459 /nfs/dbraw/zinc/37/24/59/296372459.db2.gz ARJNPHIIAKQXGI-UAFMIMERSA-N 2 0 316.489 2.799 20 0 DFADRP C[NH+](C)[C@H](CNC1CC[NH2+]CC1)c1cccc(C(F)(F)F)c1 ZINC000423051531 296372462 /nfs/dbraw/zinc/37/24/62/296372462.db2.gz OEZNTOMAYXTEAJ-OAHLLOKOSA-N 2 0 315.383 2.650 20 0 DFADRP Cn1cc(CC[NH2+]C2CCC(C[NH3+])CC2)c2ccc(F)cc21 ZINC000423053400 296372541 /nfs/dbraw/zinc/37/25/41/296372541.db2.gz RWWSDJIDCRKHFF-UHFFFAOYSA-N 2 0 303.425 2.967 20 0 DFADRP Cn1cc([C@H]([NH2+]C2CCC(C[NH3+])CC2)c2ccc(F)cc2)cn1 ZINC000423054533 296372692 /nfs/dbraw/zinc/37/26/92/296372692.db2.gz USCXEFMAKVMPRT-ZTUNLMCQSA-N 2 0 316.424 2.756 20 0 DFADRP C[C@H](NC[C@@H](C1CC1)[N@H+](C)Cc1ccccc1)[C@@H]1CCC[NH2+]1 ZINC000423059361 296373298 /nfs/dbraw/zinc/37/32/98/296373298.db2.gz FKIDQLCDZVIJQG-SNRMKQJTSA-N 2 0 301.478 2.627 20 0 DFADRP CCOC(=O)C1([C@H](C)[NH2+][C@H]2CCC[C@@H](C)CC2)CC[NH2+]CC1 ZINC000423057394 296373321 /nfs/dbraw/zinc/37/33/21/296373321.db2.gz HJKCBIMSOOCIQR-PMPSAXMXSA-N 2 0 310.482 2.866 20 0 DFADRP C[NH+]1CCN(c2cc(C[NH2+][C@H]3CCc4ccccc43)ccn2)CC1 ZINC000159143514 197330401 /nfs/dbraw/zinc/33/04/01/197330401.db2.gz XYVBHIPIYWHDEM-IBGZPJMESA-N 2 0 322.456 2.611 20 0 DFADRP Cc1ccc(C[NH+](C)C)cc1NC(=O)c1ccc2c(c1)C[NH2+]C2 ZINC000347651506 285114045 /nfs/dbraw/zinc/11/40/45/285114045.db2.gz IYGHGINLTBTXDX-UHFFFAOYSA-N 2 0 309.413 2.912 20 0 DFADRP [NH3+][C@@H]1CCCCC[C@H]1[NH2+]CCN1CCc2c(Cl)cccc2C1 ZINC000423063360 296373763 /nfs/dbraw/zinc/37/37/63/296373763.db2.gz WEAYDILMYPVYQL-QZTJIDSGSA-N 2 0 321.896 2.948 20 0 DFADRP COC[C@H](CCC[NH3+])[NH2+]Cc1ccc(C(F)(F)F)cc1C ZINC000423064006 296373907 /nfs/dbraw/zinc/37/39/07/296373907.db2.gz XUSSEIVXHCCWBJ-AWEZNQCLSA-N 2 0 304.356 2.857 20 0 DFADRP C[C@H](C[C@H](C)[NH3+])[NH2+][C@H]1CCN(c2ccccc2C(F)(F)F)C1 ZINC000423066779 296374069 /nfs/dbraw/zinc/37/40/69/296374069.db2.gz XVTSTXHPCCICIM-XQQFMLRXSA-N 2 0 315.383 3.000 20 0 DFADRP C[C@H](O)[C@](C)(C[NH2+][C@@H]1CCCCC[C@H]1[NH3+])Cc1ccccc1 ZINC000423070157 296374688 /nfs/dbraw/zinc/37/46/88/296374688.db2.gz FQGSJQZOUMBNGU-AITUJVMLSA-N 2 0 304.478 2.866 20 0 DFADRP CC[C@H](O)C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000159044922 197321935 /nfs/dbraw/zinc/32/19/35/197321935.db2.gz GGAICTPKPXLIFT-CEXWTWQISA-N 2 0 302.462 2.744 20 0 DFADRP CC(C)[C@H]([NH2+][C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)C(C)(C)O ZINC000423078246 296375478 /nfs/dbraw/zinc/37/54/78/296375478.db2.gz NYGVLXBRVQVICD-VDZJLULYSA-N 2 0 318.461 2.627 20 0 DFADRP C[C@H]([NH3+])[C@H](Cc1ccccc1)NC[C@H]1CCCC[N@@H+]1C1CC1 ZINC000423080605 296375865 /nfs/dbraw/zinc/37/58/65/296375865.db2.gz ZOUQEFWXPLGXJM-IPELMVKDSA-N 2 0 301.478 2.551 20 0 DFADRP C[C@H](CCCC[NH3+])[NH2+]C1CC(N2CCC(C(F)(F)F)CC2)C1 ZINC000423087594 296376675 /nfs/dbraw/zinc/37/66/75/296376675.db2.gz PXZNCIBPFYFQLG-LRVUVFPRSA-N 2 0 321.431 2.899 20 0 DFADRP COc1ccc([C@@H](C)[C@@H](C)[NH2+]CCCC[NH+]2CCOCC2)cc1 ZINC000158802663 197302948 /nfs/dbraw/zinc/30/29/48/197302948.db2.gz HWAUFIKQZBFNFV-DLBZAZTESA-N 2 0 320.477 2.889 20 0 DFADRP C[C@@H](C[C@@H]1CCCCC[NH2+]1)[NH2+][C@H]1CC[C@@H](C(=O)N2CCCC2)C1 ZINC000423097273 296378023 /nfs/dbraw/zinc/37/80/23/296378023.db2.gz QPCXPKFERQIBFY-MHORFTMASA-N 2 0 321.509 2.678 20 0 DFADRP COCCSCCC[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000375734658 285125818 /nfs/dbraw/zinc/12/58/18/285125818.db2.gz XHOTWNLAHRZKIA-NVXWUHKLSA-N 2 0 312.523 2.705 20 0 DFADRP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]C[C@H](CO)CC1CCCC1 ZINC000423101009 296378125 /nfs/dbraw/zinc/37/81/25/296378125.db2.gz NIGVTPHXKPGHLA-KFKAGJAMSA-N 2 0 304.478 2.723 20 0 DFADRP CC(C)SCC[NH2+][C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423103291 296378707 /nfs/dbraw/zinc/37/87/07/296378707.db2.gz GGTRQFVTIFEMAE-WBVHZDCISA-N 2 0 306.475 2.974 20 0 DFADRP Cc1cc2cc(C[NH2+][C@@H]3CCOC[C@@H]3[C@H]3CCC[NH2+]3)ccc2[nH]1 ZINC000423105827 296379101 /nfs/dbraw/zinc/37/91/01/296379101.db2.gz IXGIFBCQMSCIDO-BHIYHBOVSA-N 2 0 313.445 2.723 20 0 DFADRP CC(C)(C)[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2CCC[NH+]2C2CCCC2)C1 ZINC000616997976 399560036 /nfs/dbraw/zinc/56/00/36/399560036.db2.gz DPYXZCMDXBSCLJ-RDJZCZTQSA-N 2 0 321.509 2.630 20 0 DFADRP CCSCCC[NH2+][C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423110382 296379571 /nfs/dbraw/zinc/37/95/71/296379571.db2.gz HTFRNVHVURIDPD-WBVHZDCISA-N 2 0 306.475 2.975 20 0 DFADRP CC(C)[N@@H+](C)C[C@H](C)N[C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423119136 296380595 /nfs/dbraw/zinc/38/05/95/296380595.db2.gz BGXKZJYVUUHIOS-IEZWGBDMSA-N 2 0 317.477 2.561 20 0 DFADRP CSC1(C[NH2+][C@H]2C[C@H]([NH3+])c3ccccc32)CC[NH+](C)CC1 ZINC000423118819 296380724 /nfs/dbraw/zinc/38/07/24/296380724.db2.gz AHBZCGHGYULSID-HOTGVXAUSA-N 2 0 305.491 2.548 20 0 DFADRP CC(C)Oc1ccc([C@@H](CN[C@H](C)[C@@H]2CCC[NH2+]2)[NH+](C)C)cc1 ZINC000423124913 296381559 /nfs/dbraw/zinc/38/15/59/296381559.db2.gz MYWDVLKQUQLJKJ-AYOQOUSVSA-N 2 0 319.493 2.807 20 0 DFADRP Cc1cc(C[NH2+][C@H]2CCCC[C@@H]2C[NH3+])cc(N2CCCC2)n1 ZINC000423122428 296380905 /nfs/dbraw/zinc/38/09/05/296380905.db2.gz KRZDCBZFBFFJMG-SJORKVTESA-N 2 0 302.466 2.597 20 0 DFADRP C[C@H](c1ccccc1F)N1CCC[C@H]([NH2+][C@@H](C)C[C@H](C)[NH3+])C1=O ZINC000423130984 296382158 /nfs/dbraw/zinc/38/21/58/296382158.db2.gz HIUYSUVJTUNVFH-ZJOBFFGXSA-N 2 0 321.440 2.593 20 0 DFADRP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]C[C@]1(CO)C[C@H]1c1ccccc1 ZINC000423129515 296381873 /nfs/dbraw/zinc/38/18/73/296381873.db2.gz XEHSUENVCIMHKT-FIRPJDEBSA-N 2 0 324.468 2.701 20 0 DFADRP [NH3+]CC1CCC([NH2+]CCc2cccc(C(F)(F)F)n2)CC1 ZINC000423129310 296382015 /nfs/dbraw/zinc/38/20/15/296382015.db2.gz LRBDEEAYLHTBPL-UHFFFAOYSA-N 2 0 301.356 2.750 20 0 DFADRP CCOC(=O)C1([C@H](C)[NH2+][C@H]2CC[C@H](CC)CC2)CC[NH2+]CC1 ZINC000423133346 296382541 /nfs/dbraw/zinc/38/25/41/296382541.db2.gz QEVUHHIYKVBIOM-JYJNAYRXSA-N 2 0 310.482 2.866 20 0 DFADRP C[C@@H]1CC[NH2+]C[C@@H]1NC[C@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000423133773 296382600 /nfs/dbraw/zinc/38/26/00/296382600.db2.gz CWFYCZQFSRZXPC-RLLQIKCJSA-N 2 0 315.505 2.876 20 0 DFADRP c1ccc([C@H](C[NH2+][C@@H]2CCOC[C@@H]2[C@@H]2CCC[NH2+]2)C2CC2)cc1 ZINC000423132254 296382687 /nfs/dbraw/zinc/38/26/87/296382687.db2.gz PCHUVSFWZFFHDM-ZGXWSNOMSA-N 2 0 314.473 2.927 20 0 DFADRP c1ccc([C@H](C[NH2+][C@@H]2CCOC[C@H]2[C@@H]2CCC[NH2+]2)C2CC2)cc1 ZINC000423132251 296382825 /nfs/dbraw/zinc/38/28/25/296382825.db2.gz PCHUVSFWZFFHDM-LWYYNNOASA-N 2 0 314.473 2.927 20 0 DFADRP CC(C)Cc1ccc([C@H](CN[C@H]2CCC[C@@H]2[NH3+])[NH+](C)C)cc1 ZINC000423136787 296383232 /nfs/dbraw/zinc/38/32/32/296383232.db2.gz ZLILBXDAUICZMH-FHWLQOOXSA-N 2 0 303.494 2.957 20 0 DFADRP CC[NH+](CC)CC(=O)Nc1cccc2c1C[N@H+](CC(C)C)C2 ZINC000158351797 197265590 /nfs/dbraw/zinc/26/55/90/197265590.db2.gz DBYBGNGULDSLOK-UHFFFAOYSA-N 2 0 303.450 2.939 20 0 DFADRP CC[C@H]([NH2+][C@@H]1CCO[C@H](c2ccncc2)C1)[C@H]1CCCC[NH2+]1 ZINC000423146585 296384627 /nfs/dbraw/zinc/38/46/27/296384627.db2.gz AXRPRCXASSIRQR-XDNAFOTISA-N 2 0 303.450 2.812 20 0 DFADRP C[N@H+](Cc1ccccc1)C1(CNC2C[C@H]3CC[C@@H](C2)[NH2+]3)CCC1 ZINC000423148459 296385034 /nfs/dbraw/zinc/38/50/34/296385034.db2.gz GCADRFABNHUYBX-DFNIBXOVSA-N 2 0 313.489 2.914 20 0 DFADRP Fc1ccc(C2CC2)cc1C[NH2+][C@@H]1CCC[C@@H]1[C@H]1COCCN1 ZINC000423149848 296385323 /nfs/dbraw/zinc/38/53/23/296385323.db2.gz XZHVEQXEZLQAKT-QXAKKESOSA-N 2 0 318.436 2.950 20 0 DFADRP c1ccc2c(c1)CC[C@@H]2CC[NH2+][C@@H]1CCOC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000423150003 296385405 /nfs/dbraw/zinc/38/54/05/296385405.db2.gz YJVBXCKXVCRYFR-RSPOEFSDSA-N 2 0 314.473 2.853 20 0 DFADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]CCOc1ccc(Cl)c(F)c1 ZINC000423154368 296385836 /nfs/dbraw/zinc/38/58/36/296385836.db2.gz OVMDVXIETDSMLC-IAQYHMDHSA-N 2 0 300.805 2.836 20 0 DFADRP Cc1ccc(C[C@H](CO)[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)cc1C ZINC000423163573 296386913 /nfs/dbraw/zinc/38/69/13/296386913.db2.gz MVGKBPCCPHOYAH-UAFMIMERSA-N 2 0 316.489 2.717 20 0 DFADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]CCc1cccc(Br)c1 ZINC000423161340 296386604 /nfs/dbraw/zinc/38/66/04/296386604.db2.gz JAVWVBMHLOBXOK-DOMZBBRYSA-N 2 0 311.267 2.969 20 0 DFADRP c1coc([C@@H]2C[C@H]2[NH2+][C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)c1 ZINC000423173835 296388049 /nfs/dbraw/zinc/38/80/49/296388049.db2.gz AGCYKOWODWLACA-YKTARERQSA-N 2 0 310.397 2.981 20 0 DFADRP COc1cccc2c1C[C@H]([NH2+][C@@H](Cc1ccccc1)[C@@H](C)[NH3+])C2 ZINC000423173618 296388119 /nfs/dbraw/zinc/38/81/19/296388119.db2.gz ZLEMFVSTFRWYIW-BJZITVGISA-N 2 0 310.441 2.711 20 0 DFADRP CCOC(=O)C1([C@H](C)[NH2+]C[C@@H]2CCC[C@H]2C2CC2)CC[NH2+]CC1 ZINC000423173324 296388159 /nfs/dbraw/zinc/38/81/59/296388159.db2.gz XXWUPUBJWCOFHF-XIRDDKMYSA-N 2 0 322.493 2.724 20 0 DFADRP CC(C)[C@@H]([NH2+]CCCN1CC[NH2+]CC1)c1cc(F)ccc1F ZINC000423180132 296388957 /nfs/dbraw/zinc/38/89/57/296388957.db2.gz IEGHFAJRGWOOHW-QGZVFWFLSA-N 2 0 311.420 2.547 20 0 DFADRP Clc1ccc([C@H]([NH2+]CCCN2CC[NH2+]CC2)C2CC2)cc1 ZINC000423180828 296388983 /nfs/dbraw/zinc/38/89/83/296388983.db2.gz OGNWVBVJLLEXGK-QGZVFWFLSA-N 2 0 307.869 2.676 20 0 DFADRP [NH3+]CCCN[C@@H]1CCCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000423177105 296388407 /nfs/dbraw/zinc/38/84/07/296388407.db2.gz AFVJMVURMRWDFT-GUDVDZBRSA-N 2 0 301.478 2.616 20 0 DFADRP COCCC[C@H]([NH2+]CCC[NH3+])c1ccc(Br)cc1 ZINC000423178291 296388572 /nfs/dbraw/zinc/38/85/72/296388572.db2.gz BQOFYPOIWVYELG-AWEZNQCLSA-N 2 0 315.255 2.855 20 0 DFADRP [NH3+]CCCN[C@@H]1CCCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000423177104 296388637 /nfs/dbraw/zinc/38/86/37/296388637.db2.gz AFVJMVURMRWDFT-GBESFXJTSA-N 2 0 301.478 2.616 20 0 DFADRP Cc1cc2c(cc1C)[C@H]([NH2+]CCCN1CC[NH2+]CC1)CCS2 ZINC000423186488 296389990 /nfs/dbraw/zinc/38/99/90/296389990.db2.gz OLVORQOGYZTWII-QGZVFWFLSA-N 2 0 319.518 2.725 20 0 DFADRP CC[NH+](CC)C[C@H]1CCN([C@H](C(=O)OC(C)(C)C)C2CC2)C1 ZINC000602788390 399573355 /nfs/dbraw/zinc/57/33/55/399573355.db2.gz WJCLVGAPGIVUET-ZBFHGGJFSA-N 2 0 310.482 2.770 20 0 DFADRP CC1(C)CC[C@H]([NH2+]CCCN2CC[NH2+]CC2)c2ccccc21 ZINC000423183630 296389826 /nfs/dbraw/zinc/38/98/26/296389826.db2.gz LIQDJNDUNIGILX-SFHVURJKSA-N 2 0 301.478 2.684 20 0 DFADRP C[C@@H]([NH2+]CCCN1CC[NH2+]CC1)C1(c2ccccc2)CCCC1 ZINC000423194717 296390818 /nfs/dbraw/zinc/39/08/18/296390818.db2.gz YILAZMKXOLIRQX-GOSISDBHSA-N 2 0 315.505 2.772 20 0 DFADRP C[C@H](O)C[C@H](C)C[NH2+][C@@H](C)c1cccc(OCC[NH+](C)C)c1 ZINC000157639517 197203669 /nfs/dbraw/zinc/20/36/69/197203669.db2.gz BLAKIKWWALVVLR-JYJNAYRXSA-N 2 0 308.466 2.685 20 0 DFADRP C[C@@H](O)C[C@@H](C)C[NH2+][C@@H](C)c1cccc(OCC[NH+](C)C)c1 ZINC000157639379 197203308 /nfs/dbraw/zinc/20/33/08/197203308.db2.gz BLAKIKWWALVVLR-OAGGEKHMSA-N 2 0 308.466 2.685 20 0 DFADRP C[NH2+]CCC[NH2+][C@H](C)Cc1ccc(F)cc1Br ZINC000423198954 296391624 /nfs/dbraw/zinc/39/16/24/296391624.db2.gz IURBFNADTFUTNW-SNVBAGLBSA-N 2 0 303.219 2.718 20 0 DFADRP CC(C)CCOc1ccc([C@H](C)[NH2+]CCN2CC[NH2+]CC2)cc1 ZINC000423201184 296392035 /nfs/dbraw/zinc/39/20/35/296392035.db2.gz HWAVKVVWYYFOGO-KRWDZBQOSA-N 2 0 319.493 2.667 20 0 DFADRP COc1cc(C)c(C[C@H](C)[NH2+]C[C@H]2CCC[NH2+]C2)cc1OC ZINC000423215306 296393483 /nfs/dbraw/zinc/39/34/83/296393483.db2.gz QIFNAGJHMKWECH-GJZGRUSLSA-N 2 0 306.450 2.532 20 0 DFADRP COc1ccc([C@H](C)[NH2+][C@@H](C)[C@H]2CCC[NH2+]C2)cc1NC(C)=O ZINC000423220526 296393904 /nfs/dbraw/zinc/39/39/04/296393904.db2.gz VLLGUGAADUHXQK-XEZPLFJOSA-N 2 0 319.449 2.692 20 0 DFADRP COc1ccc([C@H](C)[C@@H](C)[NH2+]C[C@H]2CCC[NH2+]C2)cc1OC ZINC000423220963 296394104 /nfs/dbraw/zinc/39/41/04/296394104.db2.gz YYUXACCSBYDFTG-KFWWJZLASA-N 2 0 306.450 2.785 20 0 DFADRP C[C@H]([NH3+])CCN[C@@H]1CC[N@H+](Cc2ccccc2)[C@H]2CCC[C@@H]21 ZINC000423227134 296394651 /nfs/dbraw/zinc/39/46/51/296394651.db2.gz UPCDLASCNCQYSY-AITUJVMLSA-N 2 0 301.478 2.757 20 0 DFADRP COc1cc(C)c(C[C@@H](C)[NH2+]CC[C@@H]2CC[NH2+]C2)cc1OC ZINC000423242052 296395985 /nfs/dbraw/zinc/39/59/85/296395985.db2.gz DXDXBSXMOQABOY-CABCVRRESA-N 2 0 306.450 2.532 20 0 DFADRP Cc1c([C@@H](C)[NH2+]CC[C@H]2CC[NH2+]C2)cnn1-c1ccc(F)cc1 ZINC000423240325 296395998 /nfs/dbraw/zinc/39/59/98/296395998.db2.gz CFHZHIKODMBZOP-UKRRQHHQSA-N 2 0 316.424 2.970 20 0 DFADRP C[C@H]([NH2+]CC[C@@H]1CCC[NH2+]C1)c1cccc(OCC[NH+](C)C)c1 ZINC000423256238 296397268 /nfs/dbraw/zinc/39/72/68/296397268.db2.gz DQIWMFOQWJHWGC-IRXDYDNUSA-N 3 0 319.493 2.667 20 0 DFADRP CC[NH2+]CCN[C@@H]1CC[N@H+](Cc2ccccc2)[C@H]2CCC[C@H]21 ZINC000423244032 296396404 /nfs/dbraw/zinc/39/64/04/296396404.db2.gz XCAOAFYLXNLVKG-OTWHNJEPSA-N 2 0 301.478 2.629 20 0 DFADRP COC[C@H]([NH2+]CC[C@H]1CC[NH2+]C1)c1cccc(C(F)(F)F)c1 ZINC000423242665 296396410 /nfs/dbraw/zinc/39/64/10/296396410.db2.gz FNECHHLXOQAFFP-DOMZBBRYSA-N 2 0 316.367 2.982 20 0 DFADRP Cn1ccnc1[C@@H]([NH2+]CC[C@@H]1CC[NH2+]C1)c1ccc(Cl)cc1 ZINC000423247620 296396478 /nfs/dbraw/zinc/39/64/78/296396478.db2.gz LLXPDPXDWSDBPU-BBRMVZONSA-N 2 0 318.852 2.752 20 0 DFADRP c1ccc(C[N@H+]2C[C@@H]3CCC[C@H](NC[C@@H]4CCC[NH2+]4)[C@@H]3C2)cc1 ZINC000423246634 296396624 /nfs/dbraw/zinc/39/66/24/296396624.db2.gz ZOVLMESHCHBWFD-HAGHYFMRSA-N 2 0 313.489 2.629 20 0 DFADRP COC[C@@H]([NH2+]CC[C@@H]1CC[NH2+]C1)c1cccc(Cl)c1F ZINC000423250907 296396937 /nfs/dbraw/zinc/39/69/37/296396937.db2.gz REYFAZOANBILKF-SMDDNHRTSA-N 2 0 300.805 2.756 20 0 DFADRP c1c2c(cc3c1OCCC[C@@H]3[NH2+]CC[C@@H]1CC[NH2+]C1)CCC2 ZINC000423251018 296396942 /nfs/dbraw/zinc/39/69/42/296396942.db2.gz RKKKAQYWNCJFAB-KSSFIOAISA-N 2 0 300.446 2.978 20 0 DFADRP Brc1ccc2c(c1)CC[C@H]([NH2+]CC[C@@H]1CC[NH2+]C1)C2 ZINC000423254718 296397024 /nfs/dbraw/zinc/39/70/24/296397024.db2.gz ZGUURGZFDDAELT-LRDDRELGSA-N 2 0 323.278 2.896 20 0 DFADRP Cn1ccc([C@H]([NH2+]CC[C@H]2CCC[NH2+]C2)c2ccc(F)cc2)n1 ZINC000423262698 296398345 /nfs/dbraw/zinc/39/83/45/296398345.db2.gz VVQXUKOMWBHNDU-RDTXWAMCSA-N 2 0 316.424 2.628 20 0 DFADRP Fc1ccc([C@@H]([NH2+]CC[C@@H]2CCC[NH2+]C2)c2cnccn2)cc1 ZINC000423260323 296397732 /nfs/dbraw/zinc/39/77/32/296397732.db2.gz PYZVOQATJWPLSF-KBXCAEBGSA-N 2 0 314.408 2.684 20 0 DFADRP COc1cc(F)c([C@H](C)[NH2+]CC[C@H]2CCC[NH2+]C2)cc1OC ZINC000423258937 296397778 /nfs/dbraw/zinc/39/77/78/296397778.db2.gz NDSZCCIJRNXTGN-QWHCGFSZSA-N 2 0 310.413 2.883 20 0 DFADRP C[C@@H]([NH2+]CC[C@@H]1CCC[NH2+]C1)c1ccc(OCC[NH+](C)C)cc1 ZINC000423262319 296397818 /nfs/dbraw/zinc/39/78/18/296397818.db2.gz VBFNVDQMTPJNSC-SJORKVTESA-N 3 0 319.493 2.667 20 0 DFADRP C[C@@H](Cc1ccc(C(F)(F)F)cc1)[NH2+]CCOCCC[NH3+] ZINC000629400404 399593238 /nfs/dbraw/zinc/59/32/38/399593238.db2.gz WHOOOKOJVPKTSU-LBPRGKRZSA-N 2 0 304.356 2.591 20 0 DFADRP COC(=O)CCC[C@@H]1CCC[C@H]([NH2+][C@H]2CCCC[C@H]2C[NH3+])C1 ZINC000423271481 296399243 /nfs/dbraw/zinc/39/92/43/296399243.db2.gz HPGGZLIYVFCPHN-QAETUUGQSA-N 2 0 310.482 2.996 20 0 DFADRP CC(C)C[C@H](C[NH3+])N[C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000423271568 296399260 /nfs/dbraw/zinc/39/92/60/296399260.db2.gz YACNVWXVPXISIF-QXAKKESOSA-N 2 0 303.494 2.860 20 0 DFADRP CC(C)CC[C@@H]1CCC[C@@H]1[NH2+]Cc1cn([C@@H]2CC[NH2+]C2)nn1 ZINC000629406041 399594738 /nfs/dbraw/zinc/59/47/38/399594738.db2.gz UFWOWCJYVYGZIR-UAGQMJEPSA-N 2 0 305.470 2.507 20 0 DFADRP C[NH2+]C[C@H](C)CN[C@@H]1CC[N@H+](Cc2ccccc2)[C@H]2CCC[C@H]21 ZINC000423274575 296399527 /nfs/dbraw/zinc/39/95/27/296399527.db2.gz MBSLVPSXSONVDI-FFGOWVMKSA-N 2 0 315.505 2.875 20 0 DFADRP CC(C)(C)[C@@H]1CCC[C@@H]([NH2+]Cc2cn([C@H]3CC[NH2+]C3)nn2)CC1 ZINC000629405750 399595381 /nfs/dbraw/zinc/59/53/81/399595381.db2.gz MJFZFROSVPOWET-INMHGKMJSA-N 2 0 319.497 2.897 20 0 DFADRP C[C@H](Cc1ccccc1)[NH+]1CCC(N[C@H]2CCC[C@@H]2C[NH3+])CC1 ZINC000423266890 296398484 /nfs/dbraw/zinc/39/84/84/296398484.db2.gz DWOTVROQHUMRDZ-POAQFYNOSA-N 2 0 315.505 2.799 20 0 DFADRP C[NH2+]C[C@@H](C)C[NH2+][C@@H](Cc1ccncc1)c1ccc(OC)cc1 ZINC000423269126 296398824 /nfs/dbraw/zinc/39/88/24/296398824.db2.gz GQOKRIKBVAEDSK-BEFAXECRSA-N 2 0 313.445 2.819 20 0 DFADRP C[C@@H]([NH3+])[C@H](Cc1ccccc1)NCC[NH2+]C1CCCCCC1 ZINC000423283488 296400693 /nfs/dbraw/zinc/40/06/93/296400693.db2.gz FHZBJERTYKHWIL-APWZRJJASA-N 2 0 303.494 2.847 20 0 DFADRP CC(C)NC(=O)Nc1ccc([C@H](C)[NH2+][C@H]2CCC[C@@H]2C[NH3+])cc1 ZINC000423278026 296399828 /nfs/dbraw/zinc/39/98/28/296399828.db2.gz QJMDCBGVNJPYHZ-LXZKKBNFSA-N 2 0 318.465 2.995 20 0 DFADRP C[NH2+]C[C@H](C)C[NH2+][C@H]1CCc2cccc(Br)c2C1 ZINC000423276416 296399880 /nfs/dbraw/zinc/39/98/80/296399880.db2.gz OKZAABKGCOFOGM-AAEUAGOBSA-N 2 0 311.267 2.752 20 0 DFADRP CC(C)[C@H](C(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1)[C@@H](C)[NH3+] ZINC000423300230 296402257 /nfs/dbraw/zinc/40/22/57/296402257.db2.gz CSVMGQOEMALCIP-YCPHGPKFSA-N 2 0 323.506 2.621 20 0 DFADRP C[C@@H](C[NH3+])C[NH2+][C@@H](Cc1ccccc1Br)C1CC1 ZINC000423299308 296401884 /nfs/dbraw/zinc/40/18/84/296401884.db2.gz BRNKLDYFDQJSPM-NHYWBVRUSA-N 2 0 311.267 2.955 20 0 DFADRP CC1CC[NH+](Cc2ccc(NC(=O)CC3(C[NH3+])CC3)cc2)CC1 ZINC000423318508 296403828 /nfs/dbraw/zinc/40/38/28/296403828.db2.gz BVGOJXLJCKEISJ-UHFFFAOYSA-N 2 0 315.461 2.986 20 0 DFADRP COc1ccc2c(c1)[C@H]([NH2+]CC1(C)CC[NH2+]CC1)CCCO2 ZINC000423322539 296403988 /nfs/dbraw/zinc/40/39/88/296403988.db2.gz HKMUEOCRQAVMTC-MRXNPFEDSA-N 2 0 304.434 2.888 20 0 DFADRP CC1(C[NH2+][C@H](c2ccc(F)cc2)c2cnccn2)CC[NH2+]CC1 ZINC000423326532 296404866 /nfs/dbraw/zinc/40/48/66/296404866.db2.gz KRRSVOYVZKYMRX-QGZVFWFLSA-N 2 0 314.408 2.684 20 0 DFADRP COc1cc(F)c([C@H](C)[NH2+]CC2(C)CC[NH2+]CC2)cc1OC ZINC000423323616 296404429 /nfs/dbraw/zinc/40/44/29/296404429.db2.gz IGHCRLHKTMVKJW-LBPRGKRZSA-N 2 0 310.413 2.883 20 0 DFADRP CC[C@H](C)[C@H]([NH3+])C(=O)Nc1cccc(C[NH+]2CCCCC2)c1 ZINC000155641862 197074703 /nfs/dbraw/zinc/07/47/03/197074703.db2.gz XURGSELJDOVYJV-YOEHRIQHSA-N 2 0 303.450 2.984 20 0 DFADRP COc1cc(C)c(C[C@H](C)[NH2+]CC2(C)CC[NH2+]CC2)cc1OC ZINC000423340256 296406294 /nfs/dbraw/zinc/40/62/94/296406294.db2.gz VTVNIBICNIOZAT-HNNXBMFYSA-N 2 0 320.477 2.923 20 0 DFADRP C[C@@H]([NH3+])c1ccc(C(=O)N2CCC(C[NH+]3CCCC3)CC2)cc1 ZINC000423340896 296406482 /nfs/dbraw/zinc/40/64/82/296406482.db2.gz VYMRAZJVEJVNSA-OAHLLOKOSA-N 2 0 315.461 2.654 20 0 DFADRP C[C@H]([NH2+][C@@H]1CO[C@@H](C2CC2)C1)c1cccc(OCC[NH+](C)C)c1 ZINC000624221467 399602349 /nfs/dbraw/zinc/60/23/49/399602349.db2.gz APWSIIAWIGWJCD-UCLAIMLFSA-N 2 0 318.461 2.845 20 0 DFADRP C[C@H]([NH3+])c1ccc(C(=O)N2CCC[C@@H]2C[NH+]2CCCCC2)cc1 ZINC000423344012 296406702 /nfs/dbraw/zinc/40/67/02/296406702.db2.gz DXVZPAMGXMULTM-MAUKXSAKSA-N 2 0 315.461 2.797 20 0 DFADRP CCC[NH+]1CCC(CNC(=O)[C@H]([NH3+])CC2CCCCC2)CC1 ZINC000423343414 296406707 /nfs/dbraw/zinc/40/67/07/296406707.db2.gz DLLRKLLTTCKJHK-QGZVFWFLSA-N 2 0 309.498 2.522 20 0 DFADRP C[C@H]([NH2+][C@H]1CO[C@H](C2CC2)C1)c1cccc(OCC[NH+](C)C)c1 ZINC000624221468 399602543 /nfs/dbraw/zinc/60/25/43/399602543.db2.gz APWSIIAWIGWJCD-YJLNNSPDSA-N 2 0 318.461 2.845 20 0 DFADRP C[C@H](CNC(=O)[C@@H]([NH3+])CC1CCCCC1)[NH+]1CCC(C)CC1 ZINC000423357154 296408311 /nfs/dbraw/zinc/40/83/11/296408311.db2.gz LQCHAIKUPQEXBO-WBVHZDCISA-N 2 0 309.498 2.521 20 0 DFADRP Fc1ccc([C@@H](C[C@@H]2CCOC2)[NH2+]CC2=CC[NH2+]CC2)cc1 ZINC000423363394 296408723 /nfs/dbraw/zinc/40/87/23/296408723.db2.gz YQAMFVZTQSBJAY-MAUKXSAKSA-N 2 0 304.409 2.803 20 0 DFADRP C[C@H](Cc1cnccn1)[NH2+][C@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000347900294 285232112 /nfs/dbraw/zinc/23/21/12/285232112.db2.gz JMLQZCYXZDJIBR-LMMKCTJWSA-N 2 0 324.472 2.908 20 0 DFADRP C[C@H](Cc1cnccn1)[NH2+][C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000347900293 285232180 /nfs/dbraw/zinc/23/21/80/285232180.db2.gz JMLQZCYXZDJIBR-AOIWGVFYSA-N 2 0 324.472 2.908 20 0 DFADRP COc1ccc2c(c1)C[C@H]([NH2+]Cc1ccc3c(c1)C[NH2+]C3)CC2 ZINC000423372075 296409720 /nfs/dbraw/zinc/40/97/20/296409720.db2.gz GQIOAOHSNQVILU-LJQANCHMSA-N 2 0 308.425 2.946 20 0 DFADRP COCC1(C[NH2+][C@@H]2CCSc3c(F)cccc32)CC[NH2+]CC1 ZINC000423377315 296410062 /nfs/dbraw/zinc/41/00/62/296410062.db2.gz BJNOTQIOBNLKGH-OAHLLOKOSA-N 2 0 324.465 2.968 20 0 DFADRP FC(F)(F)[C@@H](C[NH2+][C@H]1CCCC12CCCC2)N1CC[NH2+]CC1 ZINC000423387898 296411260 /nfs/dbraw/zinc/41/12/60/296411260.db2.gz KIEJNCKZHOUNBY-UONOGXRCSA-N 2 0 319.415 2.525 20 0 DFADRP CC(C)[C@H](C(=O)N1CCC[C@@H](C[NH+]2CCCCCC2)C1)[C@@H](C)[NH3+] ZINC000423385494 296411262 /nfs/dbraw/zinc/41/12/62/296411262.db2.gz QUOZSICCQINWLF-SQNIBIBYSA-N 2 0 323.525 2.720 20 0 DFADRP CC(C)[C@@H](C(=O)Nc1cccc(OCCC[NH+](C)C)c1)[C@@H](C)[NH3+] ZINC000423407524 296413338 /nfs/dbraw/zinc/41/33/38/296413338.db2.gz MMWXQWMXQREMRL-RHSMWYFYSA-N 2 0 321.465 2.575 20 0 DFADRP COCC1(C[NH2+][C@H]2c3cc(C)ccc3C[C@H]2C)CC[NH2+]CC1 ZINC000423405947 296413098 /nfs/dbraw/zinc/41/30/98/296413098.db2.gz JXGDFRFBYWCVSP-CRAIPNDOSA-N 2 0 302.462 2.834 20 0 DFADRP COCCc1nc(C)c([C@H](C)[NH2+][C@@H]2C[C@H]2C2CC[NH2+]CC2)s1 ZINC000423426437 296415579 /nfs/dbraw/zinc/41/55/79/296415579.db2.gz FCZHYWXUTLOETG-TUKIKUTGSA-N 2 0 323.506 2.679 20 0 DFADRP Cc1ccc([C@H](CCn2cncn2)[NH2+][C@H](C)CCCC[NH3+])cc1 ZINC000423445176 296417196 /nfs/dbraw/zinc/41/71/96/296417196.db2.gz XQQCOSBFVYXUJL-AEFFLSMTSA-N 2 0 315.465 2.825 20 0 DFADRP C[C@H](CCCC[NH3+])[NH2+][C@H](C)[C@H](c1ccccc1)N1CCOCC1 ZINC000423431630 296416007 /nfs/dbraw/zinc/41/60/07/296416007.db2.gz LYPDSVHNNSAFCW-ZHALLVOQSA-N 2 0 319.493 2.556 20 0 DFADRP C[C@H]([NH2+]C[C@H]1CC[C@H](C[NH3+])CC1)c1nc2ccccc2n1C ZINC000423431427 296416176 /nfs/dbraw/zinc/41/61/76/296416176.db2.gz VHKOFJKUTWXKMG-KKUMJFAQSA-N 2 0 300.450 2.989 20 0 DFADRP COC(=O)CCC[C@@H]1CCC[C@H]([NH2+]C[C@H]2CCC[C@@H]([NH3+])C2)C1 ZINC000423463341 296418502 /nfs/dbraw/zinc/41/85/02/296418502.db2.gz FPXZWONIIPGVLN-NXOAAHMSSA-N 2 0 310.482 2.996 20 0 DFADRP C[C@@H]([NH2+]CCC[C@@H]1CCC[NH2+]1)c1ccc(OCC[NH+](C)C)cc1 ZINC000423476634 296420131 /nfs/dbraw/zinc/42/01/31/296420131.db2.gz JEBWSIYUHBBHDO-SJLPKXTDSA-N 3 0 319.493 2.810 20 0 DFADRP CCO[C@@H]1C[C@H]([NH2+]CCC[C@H]2CCC[NH2+]2)[C@@H]1Oc1ccccc1 ZINC000423482630 296420564 /nfs/dbraw/zinc/42/05/64/296420564.db2.gz PKZFFEKRRHHOJF-LULLPPNCSA-N 2 0 318.461 2.733 20 0 DFADRP C[C@@H]([NH2+]CCCN1CC[NH+](C)CC1)c1ccc2c(c1)CCCC2 ZINC000120417732 195163232 /nfs/dbraw/zinc/16/32/32/195163232.db2.gz IZXMWMSUKAFFGM-QGZVFWFLSA-N 2 0 315.505 2.854 20 0 DFADRP C[C@H]([NH2+]CC1([NH3+])C2CC3CC(C2)CC1C3)c1cccc(CO)c1 ZINC000423524666 296425896 /nfs/dbraw/zinc/42/58/96/296425896.db2.gz JSCCKEWSOVKWEY-LTFICZGWSA-N 2 0 314.473 2.983 20 0 DFADRP O=C1OCC[C@H]1CC[N@@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000120612494 195201382 /nfs/dbraw/zinc/20/13/82/195201382.db2.gz MSOPJPBMMRXNIA-IAGOWNOFSA-N 2 0 308.466 2.528 20 0 DFADRP CC[C@@H](COC)[NH2+]CC1CC[NH+](Cc2ccc(OC)cc2)CC1 ZINC000120687657 195216651 /nfs/dbraw/zinc/21/66/51/195216651.db2.gz CQDAUQTYCGIYRN-SFHVURJKSA-N 2 0 320.477 2.922 20 0 DFADRP CC[C@@H]([NH2+]C[C@@H](C)CN1CC[NH+](C)CC1)c1ccc(C)cc1 ZINC000120823908 195246048 /nfs/dbraw/zinc/24/60/48/195246048.db2.gz HCHIDMSMNNLZLT-IEBWSBKVSA-N 2 0 303.494 2.919 20 0 DFADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)CC1(SC)CCC1 ZINC000356313411 285281885 /nfs/dbraw/zinc/28/18/85/285281885.db2.gz YRQVZSNXHVYBDA-INIZCTEOSA-N 2 0 313.555 2.620 20 0 DFADRP Cc1cccc(C[C@@H]([NH2+]CC2CC[NH+](CCO)CC2)C2CC2)c1 ZINC000151876013 196740463 /nfs/dbraw/zinc/74/04/63/196740463.db2.gz JLUMRAHIWLJUOI-HXUWFJFHSA-N 2 0 316.489 2.610 20 0 DFADRP CC[C@@H]([NH2+]C[C@H](C)CN1CC[NH+](C)CC1)c1ccc(OC)cc1 ZINC000120904590 195262305 /nfs/dbraw/zinc/26/23/05/195262305.db2.gz VENMBHURLJVHMR-QFBILLFUSA-N 2 0 319.493 2.619 20 0 DFADRP c1ccc(C[NH+]2CC[C@]3(CC[N@@H+](CC4=CCCOC4)C3)C2)cc1 ZINC000289518270 221035277 /nfs/dbraw/zinc/03/52/77/221035277.db2.gz GZQIBMUJBPIRMQ-FQEVSTJZSA-N 2 0 312.457 2.931 20 0 DFADRP CC(C)[NH+]1CCC([NH2+]C[C@]2(CO)C[C@H]2c2ccccc2)CC1 ZINC000289602878 221096052 /nfs/dbraw/zinc/09/60/52/221096052.db2.gz CTBUUBXUKAIIAD-OALUTQOASA-N 2 0 302.462 2.615 20 0 DFADRP C[C@@H](C(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1)[NH+](C)C ZINC000078692614 542482791 /nfs/dbraw/zinc/48/27/91/542482791.db2.gz ZCZQQMHBALEMTM-HNNXBMFYSA-N 2 0 303.450 2.604 20 0 DFADRP CCCCN(C(=O)[C@H](C)[NH+](C)C)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000078732581 542483902 /nfs/dbraw/zinc/48/39/02/542483902.db2.gz RCIDYYSJUWQCCT-AWEZNQCLSA-N 2 0 311.514 2.874 20 0 DFADRP C[C@H](CCCO)C[NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]12 ZINC000294879033 224281146 /nfs/dbraw/zinc/28/11/46/224281146.db2.gz VKFSTEIEUZWLFY-VBSBHUPXSA-N 2 0 316.489 2.895 20 0 DFADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]C[C@@H]1CCCN1CC(F)F ZINC000629520896 399633995 /nfs/dbraw/zinc/63/39/95/399633995.db2.gz ZHVQKDQGRZOLTL-ILXRZTDVSA-N 2 0 303.441 2.616 20 0 DFADRP C[C@H](Cc1ccccc1C(F)(F)F)[NH2+]CC1([NH3+])CCOCC1 ZINC000629522064 399635111 /nfs/dbraw/zinc/63/51/11/399635111.db2.gz WYXFBAWWUMEDHP-GFCCVEGCSA-N 2 0 316.367 2.734 20 0 DFADRP C[C@H]([NH2+]CC1([NH3+])CCOCC1)[C@H](C)c1nc2ccccc2s1 ZINC000629522405 399635174 /nfs/dbraw/zinc/63/51/74/399635174.db2.gz ZGBUOZZRNQTFKY-STQMWFEESA-N 2 0 319.474 2.886 20 0 DFADRP CO[C@H]1C[C@@H](C[NH2+][C@@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000624311219 399635212 /nfs/dbraw/zinc/63/52/12/399635212.db2.gz VFMDSISFELJMOV-DSLXNQLJSA-N 2 0 302.462 2.912 20 0 DFADRP COCCOCc1ccc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000289895620 221299287 /nfs/dbraw/zinc/29/92/87/221299287.db2.gz YCDRLHHBDYLNGG-RTBURBONSA-N 2 0 318.461 2.566 20 0 DFADRP C[C@@H](Cc1ccccc1C(F)(F)F)[NH2+]CC1([NH3+])CCOCC1 ZINC000629522065 399635742 /nfs/dbraw/zinc/63/57/42/399635742.db2.gz WYXFBAWWUMEDHP-LBPRGKRZSA-N 2 0 316.367 2.734 20 0 DFADRP C[NH2+]CCOCC[NH2+][C@H](C)[C@@H](C)c1nc2ccccc2s1 ZINC000629528657 399636011 /nfs/dbraw/zinc/63/60/11/399636011.db2.gz GFFYFBUBAZVUHY-CHWSQXEVSA-N 2 0 307.463 2.614 20 0 DFADRP C[NH2+]CCOCC[NH2+][C@@H]1CCc2c1ccc(Cl)c2Cl ZINC000629529008 399636628 /nfs/dbraw/zinc/63/66/28/399636628.db2.gz PCPQKMSSDCOYAA-CYBMUJFWSA-N 2 0 303.233 2.806 20 0 DFADRP C[NH2+]CCOCC[NH2+][C@H]1CCCOc2ccc(C(C)C)cc21 ZINC000629529935 399637421 /nfs/dbraw/zinc/63/74/21/399637421.db2.gz QWOXLUQBBIZJNP-KRWDZBQOSA-N 2 0 306.450 2.849 20 0 DFADRP C[NH2+]CCOCC[NH2+][C@@H]1CCCc2c3cc(C)ccc3[nH]c21 ZINC000629530440 399637322 /nfs/dbraw/zinc/63/73/22/399637322.db2.gz HCCINEFYOKMTRW-QGZVFWFLSA-N 2 0 301.434 2.679 20 0 DFADRP C[NH2+]CCOCC[NH2+][C@H](c1ccccc1)c1ccc(F)cc1 ZINC000629530172 399637382 /nfs/dbraw/zinc/63/73/82/399637382.db2.gz XHQZUSSLVQDHTB-GOSISDBHSA-N 2 0 302.393 2.741 20 0 DFADRP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)NC[C@H](c1ccsc1)[NH+](CC)CC ZINC000289957009 221340901 /nfs/dbraw/zinc/34/09/01/221340901.db2.gz MPEPGYLLOVHISA-HRCADAONSA-N 2 0 323.506 2.635 20 0 DFADRP C[NH2+]CCOCC[NH2+][C@@H](c1cccc(C(F)(F)F)c1)C1CC1 ZINC000629530206 399637760 /nfs/dbraw/zinc/63/77/60/399637760.db2.gz ZIDYRSQDJYEGRS-OAHLLOKOSA-N 2 0 316.367 2.982 20 0 DFADRP c1n[nH]cc1CC[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000289982711 221360657 /nfs/dbraw/zinc/36/06/57/221360657.db2.gz XZBOAURBJWFCKS-LDLYASANSA-N 2 0 310.445 2.737 20 0 DFADRP CN(CC[N@H+](C)Cc1cccc2cc[nH]c21)C1CC[NH+](C)CC1 ZINC000289977719 221355867 /nfs/dbraw/zinc/35/58/67/221355867.db2.gz ZPFUUHDKVMKYOB-UHFFFAOYSA-N 2 0 314.477 2.626 20 0 DFADRP C[C@@H](c1nc2ccccc2s1)[C@H](C)[NH2+]CCOCCC[NH3+] ZINC000629534915 399639273 /nfs/dbraw/zinc/63/92/73/399639273.db2.gz BYNLEJWUBSSPNO-OLZOCXBDSA-N 2 0 307.463 2.743 20 0 DFADRP C[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]CCN(C)CC(F)F)CC1 ZINC000624324109 399638986 /nfs/dbraw/zinc/63/89/86/399638986.db2.gz FYJOLTCXRYQZKP-ZBFHGGJFSA-N 2 0 317.468 2.816 20 0 DFADRP C[C@@H]1CC[C@H](N[C@@H]2CCC[N@H+](Cc3ccccc3)[C@H]2C)C[NH2+]1 ZINC000629538423 399640290 /nfs/dbraw/zinc/64/02/90/399640290.db2.gz JOLSHYUCANASRN-KCITZHQASA-N 2 0 301.478 2.770 20 0 DFADRP COc1ccc2cc([C@@H](C)[NH2+]CCOCCC[NH3+])ccc2c1 ZINC000629537406 399640576 /nfs/dbraw/zinc/64/05/76/399640576.db2.gz HSLYEJYWKZGPQI-CQSZACIVSA-N 2 0 302.418 2.864 20 0 DFADRP [NH3+]CCCOCC[NH2+][C@H]1CCc2cc(Cl)cc(Cl)c21 ZINC000629540380 399639942 /nfs/dbraw/zinc/63/99/42/399639942.db2.gz SVARTISFMAQFLX-ZDUSSCGKSA-N 2 0 303.233 2.936 20 0 DFADRP C[C@H]([NH2+]CCOCCC[NH3+])[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000629539277 399640072 /nfs/dbraw/zinc/64/00/72/399640072.db2.gz PCORVWVDTBNHIY-SDDRHHMPSA-N 2 0 302.871 2.849 20 0 DFADRP CCOc1ccc(Cl)cc1[C@H](C)[NH2+]CCOCCC[NH3+] ZINC000629541529 399641931 /nfs/dbraw/zinc/64/19/31/399641931.db2.gz QAUCFXNSIWWTGX-LBPRGKRZSA-N 2 0 300.830 2.755 20 0 DFADRP C[N@H+](CCOCC[NH3+])Cc1cccc(Oc2ccccc2)c1 ZINC000629577124 399653692 /nfs/dbraw/zinc/65/36/92/399653692.db2.gz PZDKXMTYCAGFHG-UHFFFAOYSA-N 2 0 300.402 2.886 20 0 DFADRP CCC(CC)(C[NH2+]C[C@H](O)C[NH+]1CCCC1)c1ccc(F)cc1 ZINC000629585272 399655693 /nfs/dbraw/zinc/65/56/93/399655693.db2.gz PESMLIJVMQBZRR-SFHVURJKSA-N 2 0 322.468 2.930 20 0 DFADRP FC1(F)CCCC[C@H]1C[NH+]1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000629591211 399658053 /nfs/dbraw/zinc/65/80/53/399658053.db2.gz DFIWCXLOOGQMDD-JKSUJKDBSA-N 2 0 316.436 2.902 20 0 DFADRP C[C@H]([NH3+])[C@H]1COCC[C@@H]1[NH2+]Cc1ccccc1CC(F)(F)F ZINC000629555291 399647185 /nfs/dbraw/zinc/64/71/85/399647185.db2.gz UKICLNMAPVUUPR-GLQYFDAESA-N 2 0 316.367 2.633 20 0 DFADRP CCc1ccc(C(C)(C)C[NH2+]C[C@@H](O)C[NH+]2CCCC2)cc1 ZINC000629562222 399650183 /nfs/dbraw/zinc/65/01/83/399650183.db2.gz CCHJYRLNMGDOPI-GOSISDBHSA-N 2 0 304.478 2.573 20 0 DFADRP CC(C)(C)n1cc(CN2CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C2)cn1 ZINC000629566442 399651877 /nfs/dbraw/zinc/65/18/77/399651877.db2.gz ZAUBUCYRKQHMEL-QWHCGFSZSA-N 2 0 318.387 2.597 20 0 DFADRP Cc1cc[nH+]c(NC[C@@H]2CCN(Cc3nccn3C(F)F)C2)c1 ZINC000624484649 399686607 /nfs/dbraw/zinc/68/66/07/399686607.db2.gz IQUYVBZMJRRFBX-ZDUSSCGKSA-N 2 0 321.375 2.916 20 0 DFADRP C[NH+](C)Cc1cc(-c2cnn(C3CC[NH2+]CC3)c2)ccc1F ZINC000629738892 399710520 /nfs/dbraw/zinc/71/05/20/399710520.db2.gz SKNGOIQXRQNBDP-UHFFFAOYSA-N 2 0 302.397 2.675 20 0 DFADRP C[NH2+][C@H](CC(C)(C)C)C(=O)N1CCC[C@H]([NH+]2[C@@H](C)CC[C@@H]2C)C1 ZINC000423721886 296441766 /nfs/dbraw/zinc/44/17/66/296441766.db2.gz CJNBJTRRKNGYTP-LUKYLMHMSA-N 2 0 323.525 2.874 20 0 DFADRP C[C@@H]1C[NH+](Cc2ccc(OCC[NH+](C)C)cc2)C[C@@H](C)S1 ZINC000092540363 542548270 /nfs/dbraw/zinc/54/82/70/542548270.db2.gz BZJNHOUJARCTCW-HUUCEWRRSA-N 2 0 308.491 2.953 20 0 DFADRP Cc1ccccc1[C@@H]([NH3+])C(=O)NCCCCC[NH+]1CCCCC1 ZINC000295142404 224466214 /nfs/dbraw/zinc/46/62/14/224466214.db2.gz IWRASIVBRWLROZ-GOSISDBHSA-N 2 0 317.477 2.767 20 0 DFADRP Cc1ccc([C@H](C[NH2+][C@@H](C)C2CC[NH+](C)CC2)N(C)C)cc1 ZINC000118996304 542569240 /nfs/dbraw/zinc/56/92/40/542569240.db2.gz PPPCHOLTPIKEPC-LPHOPBHVSA-N 2 0 303.494 2.918 20 0 DFADRP Cc1ccc([C@@H](C[NH2+][C@H](C)C2CC[NH+](C)CC2)N(C)C)cc1 ZINC000118996358 542569317 /nfs/dbraw/zinc/56/93/17/542569317.db2.gz PPPCHOLTPIKEPC-VQIMIIECSA-N 2 0 303.494 2.918 20 0 DFADRP CC[C@@H]1CC[C@@H]1[NH2+][C@@H]1CCN(Cc2ccccc2)C[C@@H]1CO ZINC000348110500 285355757 /nfs/dbraw/zinc/35/57/57/285355757.db2.gz MYFMDAVFEAGKLB-AKHDSKFASA-N 2 0 302.462 2.648 20 0 DFADRP CC(C)CN(C(=O)C[C@H](C)C1CC[NH2+]CC1)C1CC[NH+](C)CC1 ZINC000423764907 296444933 /nfs/dbraw/zinc/44/49/33/296444933.db2.gz UCAOJEUJBROMTF-INIZCTEOSA-N 2 0 323.525 2.591 20 0 DFADRP Cc1cccc(C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)c1C ZINC000071797476 184844847 /nfs/dbraw/zinc/84/48/47/184844847.db2.gz KLEOZLYISGHGME-UHFFFAOYSA-N 2 0 319.493 2.649 20 0 DFADRP CCOc1ccccc1[C@@H](C)[NH2+]C[C@@H](C)CN1CC[NH+](C)CC1 ZINC000121035415 195283875 /nfs/dbraw/zinc/28/38/75/195283875.db2.gz SCWRKFANFJMUKY-IAGOWNOFSA-N 2 0 319.493 2.619 20 0 DFADRP C[C@H](O)C[NH+]1CCC(C[N@H+](C)C/C=C/c2ccc(F)cc2)CC1 ZINC000121132965 195297757 /nfs/dbraw/zinc/29/77/57/195297757.db2.gz MBVFIOHBHMTDOX-CWDCEQMOSA-N 2 0 320.452 2.864 20 0 DFADRP CC[N@@H+]1CCC[C@H]1CNC1CC[NH+](CCc2ccccc2)CC1 ZINC000121715200 195334234 /nfs/dbraw/zinc/33/42/34/195334234.db2.gz ZMUGGMRSTMQLGN-FQEVSTJZSA-N 2 0 315.505 2.767 20 0 DFADRP CC[C@H]1CC[C@H]1[NH2+]Cc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC000348124691 285366035 /nfs/dbraw/zinc/36/60/35/285366035.db2.gz NLFJVMWZJXTCDZ-PKOBYXMFSA-N 2 0 302.462 2.922 20 0 DFADRP COc1ccc(OC)c(C[NH+]2CCC(CC[NH+](C)C)CC2)c1 ZINC000124151085 195609650 /nfs/dbraw/zinc/60/96/50/195609650.db2.gz XVIYIOLLBXGYPW-UHFFFAOYSA-N 2 0 306.450 2.868 20 0 DFADRP C[C@@H]([NH2+]CCCN1CCC[N@H+](C)CC1)c1cc2c(s1)CCC2 ZINC000128421015 195962984 /nfs/dbraw/zinc/96/29/84/195962984.db2.gz BHBCVXKYHWDMSP-OAHLLOKOSA-N 2 0 321.534 2.915 20 0 DFADRP C[C@H]([NH2+][C@@H]1CCCN(c2ccccc2)C1)C1CC[NH+](C)CC1 ZINC000120438024 542577983 /nfs/dbraw/zinc/57/79/83/542577983.db2.gz PNGRYVOSOYVHHX-FUHWJXTLSA-N 2 0 301.478 2.975 20 0 DFADRP C[C@@H]([NH2+]CCC(C)(C)CO)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000294736404 533373055 /nfs/dbraw/zinc/37/30/55/533373055.db2.gz GTAZPDPNQLCMIB-AEFFLSMTSA-N 2 0 304.478 2.895 20 0 DFADRP C[C@@H](CC(=O)Nc1ccccc1)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000294702351 533449838 /nfs/dbraw/zinc/44/98/38/533449838.db2.gz BGKZTINGLANMEP-LNRIEFBSSA-N 2 0 301.434 2.619 20 0 DFADRP C[C@@H]([NH2+][C@@H](C)[C@@H]1CCOC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000309708445 533499965 /nfs/dbraw/zinc/49/99/65/533499965.db2.gz IULAICSKTHGGKT-UKBAYJJMSA-N 2 0 302.462 2.912 20 0 DFADRP COc1cccc(O[C@H](C)C[NH2+][C@@H](C)C2CC[NH+](C)CC2)c1 ZINC000125214492 542600696 /nfs/dbraw/zinc/60/06/96/542600696.db2.gz WDEBFSVJHUHILS-CABCVRRESA-N 2 0 306.450 2.782 20 0 DFADRP CCCc1ccc(C[NH2+]CCN2CCC([NH+](C)C)CC2)s1 ZINC000621340037 399759069 /nfs/dbraw/zinc/75/90/69/399759069.db2.gz UIAHCKLOQLACRZ-UHFFFAOYSA-N 2 0 309.523 2.816 20 0 DFADRP CC(C)NC(=O)Nc1ccc(C[NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)cc1 ZINC000127972038 542616312 /nfs/dbraw/zinc/61/63/12/542616312.db2.gz ZUCRWEKERMWMKV-PBHICJAKSA-N 2 0 318.465 2.789 20 0 DFADRP [NH3+]C[C@@H]1Cc2ccccc2N(C(=O)CC[C@@H]([NH3+])c2ccccc2)C1 ZINC000632869591 399772469 /nfs/dbraw/zinc/77/24/69/399772469.db2.gz RXGGERZBFRXXCO-MAUKXSAKSA-N 2 0 323.440 2.631 20 0 DFADRP CC[NH+](CC)CCC[C@@H](C)[NH2+]C1CCN(CC(F)F)CC1 ZINC000131284524 542636746 /nfs/dbraw/zinc/63/67/46/542636746.db2.gz LCMJRIFUPKKTAP-CQSZACIVSA-N 2 0 305.457 2.816 20 0 DFADRP CC[C@@H](C(=O)N[C@H](CCC[NH3+])c1ccccc1)[NH+](CC)CC ZINC000423972915 296470558 /nfs/dbraw/zinc/47/05/58/296470558.db2.gz PUAHXWGDIXWPFV-SJORKVTESA-N 2 0 305.466 2.703 20 0 DFADRP CC(C)[C@H](C[NH2+][C@H]1CCc2ccc(F)cc21)N1CC[NH+](C)CC1 ZINC000132495606 542642426 /nfs/dbraw/zinc/64/24/26/542642426.db2.gz DPFBGDJMKSCZHY-OALUTQOASA-N 2 0 319.468 2.675 20 0 DFADRP FC(F)(F)[C@@H]1C[C@H]([NH2+]CC2CC[NH+](C3CC3)CC2)CCO1 ZINC000348300345 285480929 /nfs/dbraw/zinc/48/09/29/285480929.db2.gz JHJSUFISIXCVRX-OCCSQVGLSA-N 2 0 306.372 2.560 20 0 DFADRP COc1ccc(CCC[NH2+][C@H](C)C2CC[NH+](C)CC2)cc1OC ZINC000155217942 542694912 /nfs/dbraw/zinc/69/49/12/542694912.db2.gz RMBLPDUHDAAOFW-OAHLLOKOSA-N 2 0 320.477 2.956 20 0 DFADRP Cc1cccn2cc(CC[NH2+][C@H](C)C3CC[NH+](C)CC3)nc12 ZINC000156351212 542700943 /nfs/dbraw/zinc/70/09/43/542700943.db2.gz HMTSGUSWJQKQJV-OAHLLOKOSA-N 2 0 300.450 2.505 20 0 DFADRP c1ccc2c(c1)-c1ccccc1C2[NH+]1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000261629606 285497764 /nfs/dbraw/zinc/49/77/64/285497764.db2.gz HDOSHRXRZVRJCH-MRXNPFEDSA-N 2 0 319.452 2.736 20 0 DFADRP C[C@@H]([NH2+]Cc1ccc2c(c1)OCCCO2)C1CC[NH+](C)CC1 ZINC000161964630 542734479 /nfs/dbraw/zinc/73/44/79/542734479.db2.gz KLKKURFDUIPQEM-CQSZACIVSA-N 2 0 304.434 2.668 20 0 DFADRP Cc1ccc(Cl)cc1NC(=O)CN1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000163865913 132123433 /nfs/dbraw/zinc/12/34/33/132123433.db2.gz VBLUBJIOABEJBU-DGCLKSJQSA-N 2 0 309.841 2.504 20 0 DFADRP CC(C)C[C@](C)(C[NH3+])NC(=O)CC[C@@H]([NH3+])CC1CCCCC1 ZINC000424083284 296484026 /nfs/dbraw/zinc/48/40/26/296484026.db2.gz XAINFWPJWWGXIJ-SJLPKXTDSA-N 2 0 311.514 2.944 20 0 DFADRP COC1CCN(CC[NH2+][C@@H]2CCCOc3ccccc32)CC1 ZINC000163705318 542743226 /nfs/dbraw/zinc/74/32/26/542743226.db2.gz GBVLXNUHVSVIOA-QGZVFWFLSA-N 2 0 304.434 2.601 20 0 DFADRP CC(C)C[C@@H]([NH3+])C(=O)Nc1ccc(CC[NH+]2CCCC2)cc1 ZINC000165921024 542750459 /nfs/dbraw/zinc/75/04/59/542750459.db2.gz JRLYYZSYESRKRV-QGZVFWFLSA-N 2 0 303.450 2.637 20 0 DFADRP COc1ccc(O[C@H](C)C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000166726186 542751691 /nfs/dbraw/zinc/75/16/91/542751691.db2.gz FQCYKVDKIXJTBK-BZUAXINKSA-N 2 0 304.434 2.679 20 0 DFADRP C[C@H](COc1ccc(F)cc1F)[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000166292210 542751737 /nfs/dbraw/zinc/75/17/37/542751737.db2.gz SDVYKOSOGNAZHB-BPLDGKMQSA-N 2 0 310.388 2.949 20 0 DFADRP COc1ccc(COCCC[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000166467781 542751774 /nfs/dbraw/zinc/75/17/74/542751774.db2.gz FKYCVDLFRFYYNG-ZWKOTPCHSA-N 2 0 318.461 2.818 20 0 DFADRP C(C1CCCC1)[NH+]1CCC(N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000166388764 542751913 /nfs/dbraw/zinc/75/19/13/542751913.db2.gz JOLNBSKFBSPZFI-RTBURBONSA-N 2 0 305.510 2.857 20 0 DFADRP COCCOc1cc(C)ccc1C[NH2+][C@H](C)C1CC[NH+](C)CC1 ZINC000167659500 542753354 /nfs/dbraw/zinc/75/33/54/542753354.db2.gz AHBLTIQUTFHCJN-MRXNPFEDSA-N 2 0 320.477 2.840 20 0 DFADRP C[NH+](C)[C@@H](CNC(=O)CC[C@@H]([NH3+])CC1CCCCC1)C1CC1 ZINC000424136110 296487063 /nfs/dbraw/zinc/48/70/63/296487063.db2.gz QJKYIOJYUPEDOD-SJORKVTESA-N 2 0 309.498 2.521 20 0 DFADRP [NH3+][C@H](CCC(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1)CC1CCCCC1 ZINC000424155412 296488911 /nfs/dbraw/zinc/48/89/11/296488911.db2.gz NWARUAUTRTUGES-MLHJIOFPSA-N 2 0 321.509 2.650 20 0 DFADRP [NH3+][C@H](CCC(=O)NC[C@H]1CCC[C@H]([NH3+])C1)CC1CCCCC1 ZINC000424174586 296490453 /nfs/dbraw/zinc/49/04/53/296490453.db2.gz MQHSMALZYAMMGL-YESZJQIVSA-N 2 0 309.498 2.698 20 0 DFADRP COC(=O)CC1CC([NH2+]C2CCC([NH+]3CCC(C)CC3)CC2)C1 ZINC000424275483 296497817 /nfs/dbraw/zinc/49/78/17/296497817.db2.gz AYLAODITUPAAMG-UHFFFAOYSA-N 2 0 322.493 2.961 20 0 DFADRP C[NH+](C)CCCOc1ccc(NC(=O)C2([NH3+])CCCCC2)cc1 ZINC000237107901 542900206 /nfs/dbraw/zinc/90/02/06/542900206.db2.gz JZZSOMCPMYYRFC-UHFFFAOYSA-N 2 0 319.449 2.617 20 0 DFADRP CC(C)[NH+]1CCC(NC(=O)C[N@H+](C2CC2)C2CCCCC2)CC1 ZINC000603933020 399818751 /nfs/dbraw/zinc/81/87/51/399818751.db2.gz QONOBLMGNFBZFZ-UHFFFAOYSA-N 2 0 321.509 2.773 20 0 DFADRP FC(F)(F)CCCC[NH+]1CCC(n2ncc3c2C[NH2+]C3)CC1 ZINC000424287638 296499021 /nfs/dbraw/zinc/49/90/21/296499021.db2.gz JIAPUQODLNJIRO-UHFFFAOYSA-N 2 0 316.371 2.856 20 0 DFADRP C(=C/c1ccccc1)\C[NH+]1CCC(n2ncc3c2C[NH2+]C3)CC1 ZINC000424370378 296504956 /nfs/dbraw/zinc/50/49/56/296504956.db2.gz CFQNFQSMVJFDIY-QPJJXVBHSA-N 2 0 308.429 2.837 20 0 DFADRP C[C@@H](Cc1ccccc1)[NH+]1CCC(N[C@@H]2CCCC[C@H]2[NH3+])CC1 ZINC000424377446 296505615 /nfs/dbraw/zinc/50/56/15/296505615.db2.gz RFWIZNVEISXFAD-PWIZWCRZSA-N 2 0 315.505 2.942 20 0 DFADRP CCCN(CC[NH+]1CCCC1)C(=O)Nc1cc(C)cc(C[NH3+])c1 ZINC000424429071 296509287 /nfs/dbraw/zinc/50/92/87/296509287.db2.gz VRGQBDWDGSVTHC-UHFFFAOYSA-N 2 0 318.465 2.793 20 0 DFADRP Cc1cc(N2CCN([C@H]3CCC[N@@H+](C)C3)CC2)c2ccccc2[nH+]1 ZINC000301300331 543046528 /nfs/dbraw/zinc/04/65/28/543046528.db2.gz QTAKYQDKXVCPEM-KRWDZBQOSA-N 2 0 324.472 2.759 20 0 DFADRP CCN(C(=O)c1ccc(C[NH+](CC)CC)o1)[C@H]1CC[N@H+](CC)C1 ZINC000617929289 399839260 /nfs/dbraw/zinc/83/92/60/399839260.db2.gz FWKBVYSQXMPFEF-HNNXBMFYSA-N 2 0 321.465 2.678 20 0 DFADRP CC[C@@H]([NH2+]CC(C)(C)N1CC[NH+](C)CC1)c1ccccc1F ZINC000317150632 543074864 /nfs/dbraw/zinc/07/48/64/543074864.db2.gz RIZCGCJCRLFZNQ-QGZVFWFLSA-N 2 0 307.457 2.892 20 0 DFADRP COc1cccc([C@@H](C[NH2+][C@H](C)C2CC[NH+](C)CC2)N(C)C)c1 ZINC000319534097 543079687 /nfs/dbraw/zinc/07/96/87/543079687.db2.gz CPFFKJURUDDSSH-DNVCBOLYSA-N 2 0 319.493 2.618 20 0 DFADRP COc1cccc([C@H](C[NH2+][C@@H](C)C2CC[NH+](C)CC2)N(C)C)c1 ZINC000319534100 543079775 /nfs/dbraw/zinc/07/97/75/543079775.db2.gz CPFFKJURUDDSSH-KXBFYZLASA-N 2 0 319.493 2.618 20 0 DFADRP CC[NH+](CC)Cc1ccccc1CNC(=O)[C@@H]1CCC[C@H]1C[NH3+] ZINC000321274043 543084946 /nfs/dbraw/zinc/08/49/46/543084946.db2.gz SBCNAGDLMFHVOB-MAUKXSAKSA-N 2 0 317.477 2.520 20 0 DFADRP O=C(CC[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1)Nc1cccc(F)c1 ZINC000321266051 543084999 /nfs/dbraw/zinc/08/49/99/543084999.db2.gz GNKCKVZIOXPIEK-WMLDXEAASA-N 2 0 319.424 2.618 20 0 DFADRP Cc1cn2c(CNC3C[C@H]4CC[C@@H](C3)[N@H+]4C)c(C)nc2s1 ZINC000322451496 543089256 /nfs/dbraw/zinc/08/92/56/543089256.db2.gz UWDSGLQILRTUQO-AGUYFDCRSA-N 2 0 304.463 2.727 20 0 DFADRP CCO[C@@H](C[N@@H+]1CC[C@@H](CNc2cc(C)ccn2)C1)C1CC1 ZINC000625156101 399855381 /nfs/dbraw/zinc/85/53/81/399855381.db2.gz UXGICYBQPHFWMW-RDJZCZTQSA-N 2 0 303.450 2.939 20 0 DFADRP CCC(CC)C(=O)N1CCC([NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)CC1 ZINC000339068975 543139619 /nfs/dbraw/zinc/13/96/19/543139619.db2.gz SYAQSHDEZHVDPJ-MSOLQXFVSA-N 2 0 321.509 2.630 20 0 DFADRP CC(C)C(=O)Nc1ccc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000339072148 543139632 /nfs/dbraw/zinc/13/96/32/543139632.db2.gz UAGJJHKTLKLIOO-MSOLQXFVSA-N 2 0 315.461 2.998 20 0 DFADRP C[NH+](C)[C@H](CN[C@@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccc(F)cc1 ZINC000339070215 543139777 /nfs/dbraw/zinc/13/97/77/543139777.db2.gz ZNXRIXXTNGPFSW-FGTMMUONSA-N 2 0 305.441 2.645 20 0 DFADRP CC(C)CC[NH+]1CCC(C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)CC1 ZINC000339066869 543140031 /nfs/dbraw/zinc/14/00/31/543140031.db2.gz IIMMSLGFPOJFIV-OALUTQOASA-N 3 0 307.526 2.961 20 0 DFADRP CN(CCC[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccccc1F ZINC000339070030 543140054 /nfs/dbraw/zinc/14/00/54/543140054.db2.gz VTOXNQPJIUBDRA-CVEARBPZSA-N 2 0 305.441 2.868 20 0 DFADRP CC(C)[C@@H]1CC[C@H]1[NH2+]Cc1ccncc1OCCC[NH+](C)C ZINC000343945633 543169760 /nfs/dbraw/zinc/16/97/60/543169760.db2.gz WJKMMNPGVQYWMN-DLBZAZTESA-N 2 0 305.466 2.936 20 0 DFADRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+][C@H]1CCCc2sccc21 ZINC000349357593 285845602 /nfs/dbraw/zinc/84/56/02/285845602.db2.gz UMLGITLBNNVERR-ZBFHGGJFSA-N 2 0 307.507 2.741 20 0 DFADRP CCc1ccc([C@@H](C)[NH2+]CC(C)(C)N2CC[NH+](C)CC2)cc1 ZINC000387024592 543301800 /nfs/dbraw/zinc/30/18/00/543301800.db2.gz JBPPOHRSUZASGU-MRXNPFEDSA-N 2 0 303.494 2.926 20 0 DFADRP CCC[NH+]1CCC(N[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)CC1 ZINC000389794622 543305097 /nfs/dbraw/zinc/30/50/97/543305097.db2.gz SOIDRABGOANWHZ-XLIONFOSSA-N 2 0 315.505 2.971 20 0 DFADRP OC1CCC(C[NH2+][C@@H]2CCCN(Cc3ccccc3)C2)CC1 ZINC000390773913 543307034 /nfs/dbraw/zinc/30/70/34/543307034.db2.gz MZFZDNSWGYNJFV-CUYAVPTFSA-N 2 0 302.462 2.792 20 0 DFADRP C[N@@H+]1CCC[C@H]1CN[C@@H]1CC[NH+](Cc2ccccc2)CC1(C)C ZINC000390915886 543308306 /nfs/dbraw/zinc/30/83/06/543308306.db2.gz UHTRNXWMQAKWJW-RBUKOAKNSA-N 2 0 315.505 2.971 20 0 DFADRP CC[C@H](C)[C@@H]([NH3+])C(=O)NC[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000165898373 145232823 /nfs/dbraw/zinc/23/28/23/145232823.db2.gz KGINKHUPNQRKQA-RYQLBKOJSA-N 2 0 317.477 2.531 20 0 DFADRP C[C@H]1CCCC[N@@H+]1CCC(=O)N(C)C(C)(C)C[NH+]1CCCC1 ZINC000416335439 543332467 /nfs/dbraw/zinc/33/24/67/543332467.db2.gz UYCGUMHDOSRJLE-INIZCTEOSA-N 2 0 309.498 2.584 20 0 DFADRP [NH3+][C@@H]1CCC[C@@H]([NH2+]Cc2ccc(F)c(Br)c2)C1 ZINC000414930681 543327754 /nfs/dbraw/zinc/32/77/54/543327754.db2.gz TYINEXYNMQPOSV-GHMZBOCLSA-N 2 0 301.203 2.948 20 0 DFADRP [NH3+][C@@H]1CCC[C@H]([NH2+]Cc2cnn(-c3ccc(Cl)cc3)c2)C1 ZINC000414908496 543327759 /nfs/dbraw/zinc/32/77/59/543327759.db2.gz BMDRPVFEPSHCRF-CABCVRRESA-N 2 0 304.825 2.885 20 0 DFADRP CC[C@H](Cc1ccc(OC)c(OC)c1)[NH2+][C@H]1CCC[C@H]([NH3+])C1 ZINC000414928537 543327792 /nfs/dbraw/zinc/32/77/92/543327792.db2.gz QDPWYQYDKRJBGP-XHSDSOJGSA-N 2 0 306.450 2.884 20 0 DFADRP COc1c(Br)cccc1C[NH2+][C@H]1CCC[C@@H]([NH3+])C1 ZINC000414928138 543327920 /nfs/dbraw/zinc/32/79/20/543327920.db2.gz PWIXLYBGCLTWDA-NEPJUHHUSA-N 2 0 313.239 2.817 20 0 DFADRP [NH3+][C@@H]1CCC[C@@H]([NH2+]Cc2c[nH]nc2-c2c(F)cccc2F)C1 ZINC000414931397 543328188 /nfs/dbraw/zinc/32/81/88/543328188.db2.gz UMQWTCOQCJQNKH-VXGBXAGGSA-N 2 0 306.360 2.714 20 0 DFADRP CS[C@H]1CC[C@@H]1[NH2+]CCc1ccc(OCC[NH+](C)C)cc1 ZINC000425361597 296573218 /nfs/dbraw/zinc/57/32/18/296573218.db2.gz UJMUIYJIRVGGHS-IRXDYDNUSA-N 2 0 308.491 2.653 20 0 DFADRP CC[NH2+]Cc1cccc(NC(=O)N[C@H](C)C[NH+](CC)CC)c1 ZINC000415908176 543331317 /nfs/dbraw/zinc/33/13/17/543331317.db2.gz OWIDKKMBGUIMMA-CQSZACIVSA-N 2 0 306.454 2.648 20 0 DFADRP CC[NH2+]Cc1ccccc1NC(=O)N[C@@H](C)C[NH+](CC)CC ZINC000415960724 543331668 /nfs/dbraw/zinc/33/16/68/543331668.db2.gz VDRUDEHETVXRCS-AWEZNQCLSA-N 2 0 306.454 2.648 20 0 DFADRP CC[NH+](CC)C[C@H](C)NC(=O)C[C@H](c1ccccc1)[NH+](C)C ZINC000416163244 543331981 /nfs/dbraw/zinc/33/19/81/543331981.db2.gz XEZIXMDIHOIKQR-DOTOQJQBSA-N 2 0 305.466 2.526 20 0 DFADRP C[C@@H](C(=O)N[C@@H]1CC[N@H+](CC2CCCC2)C1)[NH+]1[C@H](C)CC[C@H]1C ZINC000174721243 145388471 /nfs/dbraw/zinc/38/84/71/145388471.db2.gz OAWMSBUWOXVCNZ-XLMAVXFVSA-N 2 0 321.509 2.628 20 0 DFADRP COc1cc(C[NH+](C)C)ccc1NC(=O)C[NH+]1[C@@H](C)CC[C@@H]1C ZINC000633373071 399894047 /nfs/dbraw/zinc/89/40/47/399894047.db2.gz HZMMDTWADITOAN-KBPBESRZSA-N 2 0 319.449 2.568 20 0 DFADRP C[NH+]1CCN(c2cc[nH+]c(NCc3ccc(Cl)o3)c2)CC1 ZINC000630959831 399953651 /nfs/dbraw/zinc/95/36/51/399953651.db2.gz LXNOENHWBNCIJQ-UHFFFAOYSA-N 2 0 306.797 2.692 20 0 DFADRP COc1ccsc1CNc1cc(N2CC[NH+](C)CC2)cc[nH+]1 ZINC000630961357 399954493 /nfs/dbraw/zinc/95/44/93/399954493.db2.gz PJPQZICSVOYVKT-UHFFFAOYSA-N 2 0 318.446 2.516 20 0 DFADRP CC[C@H](C(=O)N1CCC(CC)([NH+]2CCCC2)CC1)[NH+](CC)CC ZINC000633954112 399964928 /nfs/dbraw/zinc/96/49/28/399964928.db2.gz WCJIOZUHIAQJIE-QGZVFWFLSA-N 2 0 323.525 2.974 20 0 DFADRP CC[NH+](CC)CCC[C@@H](C)[NH2+]Cc1c2c(nn1C)CCCC2 ZINC000631029382 399965208 /nfs/dbraw/zinc/96/52/08/399965208.db2.gz BCSXJMMGTABJRM-OAHLLOKOSA-N 2 0 306.498 2.899 20 0 DFADRP CC(=O)Nc1cccc(C[NH2+]Cc2cccc(C[NH+](C)C)c2)c1 ZINC000631037405 399966490 /nfs/dbraw/zinc/96/64/90/399966490.db2.gz IVMASOCBNCDUHJ-UHFFFAOYSA-N 2 0 311.429 2.996 20 0 DFADRP Cc1cc(C)c(/C=C/C[NH2+][C@@H](C)CN2CC[NH+](C)CC2)cc1C ZINC000631067227 399973674 /nfs/dbraw/zinc/97/36/74/399973674.db2.gz INKOQDOWNPWSQN-GHOSXJJBSA-N 2 0 315.505 2.851 20 0 DFADRP Cc1scc(C[NH2+]C(C)(C)CCN2CC[NH+](C)CC2)c1C ZINC000631114430 399983497 /nfs/dbraw/zinc/98/34/97/399983497.db2.gz VFBHJLQLXOZDPV-UHFFFAOYSA-N 2 0 309.523 2.871 20 0 DFADRP Cc1cc(C)c(/C=C/C[NH2+]CC2(O)CC[NH+](C)CC2)c(C)c1 ZINC000631077526 399975979 /nfs/dbraw/zinc/97/59/79/399975979.db2.gz GYVVCDOYOWVRAX-AATRIKPKSA-N 2 0 302.462 2.671 20 0 DFADRP C[C@H]1C[C@H]([NH2+]Cc2ccc(=O)[nH]c2)CC[N@@H+]1Cc1ccccc1 ZINC000631085272 399977537 /nfs/dbraw/zinc/97/75/37/399977537.db2.gz JMSOAOTUDCZKNA-MAUKXSAKSA-N 2 0 311.429 2.930 20 0 DFADRP CC[C@H](C(=O)NC[C@@H]1CC[N@@H+]1C1CCCCC1)[NH+](CC)CC ZINC000628545445 400039835 /nfs/dbraw/zinc/03/98/35/400039835.db2.gz POJRRZIIKWHXGD-DLBZAZTESA-N 2 0 309.498 2.630 20 0 DFADRP CCC1([NH+](C)C)CCN(C(=O)[C@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC000634122567 399985678 /nfs/dbraw/zinc/98/56/78/399985678.db2.gz JZZCYWRRIZJRSV-QGZVFWFLSA-N 2 0 321.509 2.726 20 0 DFADRP CCC1([NH+](C)C)CCN(C(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC000634122566 399985750 /nfs/dbraw/zinc/98/57/50/399985750.db2.gz JZZCYWRRIZJRSV-KRWDZBQOSA-N 2 0 321.509 2.726 20 0 DFADRP C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1C[NH2+]CC1=CCCOC1 ZINC000631196061 400001526 /nfs/dbraw/zinc/00/15/26/400001526.db2.gz NKDSKDLNRNAYNV-QFBILLFUSA-N 2 0 300.446 2.691 20 0 DFADRP Cc1nc(C)c(C[NH2+]CCc2ccc(OCC[NH+](C)C)cc2)o1 ZINC000628213356 400002337 /nfs/dbraw/zinc/00/23/37/400002337.db2.gz HVUUBSSLEJAGIS-UHFFFAOYSA-N 2 0 317.433 2.564 20 0 DFADRP CC[C@@H]1CCCC[C@@H]1C[NH2+][C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000628214294 400002899 /nfs/dbraw/zinc/00/28/99/400002899.db2.gz RTEZOWNHYCCMHD-KZNAEPCWSA-N 2 0 307.526 2.961 20 0 DFADRP C[C@H](CCc1c[nH]c2ccccc12)[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000631572370 400053004 /nfs/dbraw/zinc/05/30/04/400053004.db2.gz QDUHGEKIIUHQON-NVXWUHKLSA-N 2 0 315.461 2.535 20 0 DFADRP C[C@H](CCc1c[nH]c2ccccc12)[NH2+]CC1(O)CC[NH+](C)CC1 ZINC000631580584 400054408 /nfs/dbraw/zinc/05/44/08/400054408.db2.gz AZIAQWQTDKIKNU-OAHLLOKOSA-N 2 0 315.461 2.535 20 0 DFADRP CC(C)C[N@@H+]1CCC[C@@H](C[NH2+][C@H]2[C@@H]3CCO[C@@H]3C23CCC3)C1 ZINC000631601752 400057282 /nfs/dbraw/zinc/05/72/82/400057282.db2.gz VKJGFHHWQLKSBM-XSLAGTTESA-N 2 0 306.494 2.902 20 0 DFADRP C[C@H](Cc1cnccn1)[NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000631661720 400063522 /nfs/dbraw/zinc/06/35/22/400063522.db2.gz BWGPIIKVZWELRF-ZHALLVOQSA-N 2 0 324.472 2.765 20 0 DFADRP C[C@H]([NH2+]C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1C)c1cnn(C)c1 ZINC000631668193 400064296 /nfs/dbraw/zinc/06/42/96/400064296.db2.gz WBQILNCIORDPIS-RYRKJORJSA-N 2 0 312.461 2.839 20 0 DFADRP C[C@H]([NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C)c1cnn(C)c1 ZINC000631668197 400064325 /nfs/dbraw/zinc/06/43/25/400064325.db2.gz WBQILNCIORDPIS-XYJFISCASA-N 2 0 312.461 2.839 20 0 DFADRP C[C@H]([NH2+][C@H]1C[C@@H](C)O[C@@H]1C)c1ccc(OCC[NH+](C)C)cc1 ZINC000631698860 400068125 /nfs/dbraw/zinc/06/81/25/400068125.db2.gz BOMYWLKALCBCPT-FSZRXZPDSA-N 2 0 306.450 2.844 20 0 DFADRP CC(C)[C@H]1CN([C@H]2C[C@H](C)[NH+](Cc3ccccc3)C2)CC[N@@H+]1C ZINC000631793440 400075918 /nfs/dbraw/zinc/07/59/18/400075918.db2.gz GZZJVDUXHUFEKR-YSIASYRMSA-N 2 0 315.505 2.921 20 0 DFADRP COc1cccc(-c2nc(CN3CCC(C)([NH3+])CC3)co2)c1 ZINC000631824982 400077833 /nfs/dbraw/zinc/07/78/33/400077833.db2.gz VZJCEBIMIAHHAS-UHFFFAOYSA-N 2 0 301.390 2.663 20 0 DFADRP Cc1nccnc1C[N@@H+]1CCCC[C@H]1[C@H](C[NH3+])Cc1ccccc1 ZINC000631824871 400077849 /nfs/dbraw/zinc/07/78/49/400077849.db2.gz SQCXKTPTKLYCJY-ICSRJNTNSA-N 2 0 324.472 2.957 20 0 DFADRP c1cc(C[NH+]2CCC([C@@H]3CCC[NH2+]C3)CC2)c2c(c1)COCC2 ZINC000631829157 400078153 /nfs/dbraw/zinc/07/81/53/400078153.db2.gz IQYWPZJEVOQLIC-QGZVFWFLSA-N 2 0 314.473 2.971 20 0 DFADRP c1cc(C[NH+]2CCC([C@H]3CCC[NH2+]C3)CC2)c2c(c1)COCC2 ZINC000631829156 400078182 /nfs/dbraw/zinc/07/81/82/400078182.db2.gz IQYWPZJEVOQLIC-KRWDZBQOSA-N 2 0 314.473 2.971 20 0 DFADRP C[C@H]1C[N@H+](Cc2cccc(OCC(F)(F)F)c2)C[C@@H]1C[NH3+] ZINC000631839824 400078863 /nfs/dbraw/zinc/07/88/63/400078863.db2.gz LKCSOFUDYNYBNN-AAEUAGOBSA-N 2 0 302.340 2.654 20 0 DFADRP C[C@@H]1C[N@H+](Cc2ccc(OCc3cccnc3)cc2)C[C@H]1C[NH3+] ZINC000631839374 400079080 /nfs/dbraw/zinc/07/90/80/400079080.db2.gz FRFFGFJNIYDJKX-CRAIPNDOSA-N 2 0 311.429 2.687 20 0 DFADRP C[C@H]([NH2+]CCOCC[NH+](C)C)c1ccc(OC(F)F)cc1 ZINC000219323941 146000639 /nfs/dbraw/zinc/00/06/39/146000639.db2.gz YHIQQHRSRWLKPR-LBPRGKRZSA-N 2 0 302.365 2.517 20 0 DFADRP C[NH+](C)CCOCC[NH2+]Cc1cc(Cl)ccc1OC(F)F ZINC000226744738 146005277 /nfs/dbraw/zinc/00/52/77/146005277.db2.gz HCQLJUDITOCDBW-UHFFFAOYSA-N 2 0 322.783 2.609 20 0 DFADRP C[NH+]1CCC(C)(C[NH2+]Cc2cn3cc(Cl)ccc3n2)CC1 ZINC000227328279 146005552 /nfs/dbraw/zinc/00/55/52/146005552.db2.gz WRTCODIFZHPDFL-UHFFFAOYSA-N 2 0 306.841 2.809 20 0 DFADRP C[C@H]([NH2+]CCOCC[NH+](C)C)c1ccc(Br)cc1 ZINC000231786816 146016916 /nfs/dbraw/zinc/01/69/16/146016916.db2.gz KZJTYCUDDWQCDS-LBPRGKRZSA-N 2 0 315.255 2.678 20 0 DFADRP Brc1ccc(CN2CCC[C@H]2Cn2ccnc2)nc1 ZINC000437982929 543352517 /nfs/dbraw/zinc/35/25/17/543352517.db2.gz GKXDXSGSRXRKGE-AWEZNQCLSA-N 2 0 321.222 2.705 20 0 DFADRP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@@H+]2CCOC1CCCCCC1 ZINC000441259444 543354900 /nfs/dbraw/zinc/35/49/00/543354900.db2.gz DOWYRFGEMXNVHD-QRQLOZEOSA-N 2 0 324.509 2.909 20 0 DFADRP C[C@H](CCCO)[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000245745676 146099366 /nfs/dbraw/zinc/09/93/66/146099366.db2.gz SLVJVFQQFYZMGG-OQIJWPOYSA-N 2 0 302.462 2.933 20 0 DFADRP COc1c(C)cnc(C[N@@H+]2CC[C@@H](C)[C@@H](n3ccnc3)C2)c1C ZINC000246225457 146132279 /nfs/dbraw/zinc/13/22/79/146132279.db2.gz DZZCGLXFNMHKNJ-DYVFJYSZSA-N 2 0 314.433 2.987 20 0 DFADRP OCC1(C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)CCC1 ZINC000248872621 146172717 /nfs/dbraw/zinc/17/27/17/146172717.db2.gz IISFLDCSOAELBR-LDLYASANSA-N 2 0 314.473 2.934 20 0 DFADRP CC[NH+](CC)CCOCC[NH2+][C@@H]1Cc2ccc(Cl)cc2C1 ZINC000349716106 285921946 /nfs/dbraw/zinc/92/19/46/285921946.db2.gz DYNPRUGPJNEMGH-QGZVFWFLSA-N 2 0 310.869 2.755 20 0 DFADRP O[C@@H]1CC[C@@H](C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC000249041520 146183678 /nfs/dbraw/zinc/18/36/78/146183678.db2.gz UVUYSVDQSNTNHD-OUUBHVDSSA-N 2 0 314.473 2.933 20 0 DFADRP O[C@H]1CCCC[C@@H]1[NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]12 ZINC000250127780 146210787 /nfs/dbraw/zinc/21/07/87/146210787.db2.gz WOBKMHWOVIVDIS-RMMWZPCPSA-N 2 0 314.473 2.790 20 0 DFADRP CN(C[C@H]1CCC[NH2+]C1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000261539651 146238450 /nfs/dbraw/zinc/23/84/50/146238450.db2.gz CXLNSPIIDSMLBU-RBUKOAKNSA-N 2 0 301.478 2.582 20 0 DFADRP C[C@H](N[C@@H]1CCC[C@@H]([NH3+])C1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000261532488 146238491 /nfs/dbraw/zinc/23/84/91/146238491.db2.gz AJILRXROTUFREI-GDAAHCPNSA-N 2 0 301.478 2.757 20 0 DFADRP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+][C@H]1CCCN(Cc2ccccc2)C1 ZINC000261557892 146241464 /nfs/dbraw/zinc/24/14/64/146241464.db2.gz XUNGPLRXHAOUDC-GBESFXJTSA-N 2 0 301.478 2.758 20 0 DFADRP c1cnn(-c2ccc(C[NH+]3CCC([C@@H]4CCC[NH2+]4)CC3)cc2)c1 ZINC000261615936 146247243 /nfs/dbraw/zinc/24/72/43/146247243.db2.gz AEHXIPRJENWHSB-IBGZPJMESA-N 2 0 310.445 2.836 20 0 DFADRP Cc1ccc(C[N@@H+]2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)c(-c2ccnn2C)c1 ZINC000261656349 146254842 /nfs/dbraw/zinc/25/48/42/146254842.db2.gz BITWOPBOXHSSNH-SZMVWBNQSA-N 2 0 310.445 2.565 20 0 DFADRP CC(C)[NH+]1CCC(C(=O)Nc2ccc3c(c2F)CC[NH2+]C3)CC1 ZINC000261682780 146259430 /nfs/dbraw/zinc/25/94/30/146259430.db2.gz HOJSUCJZSILZID-UHFFFAOYSA-N 2 0 319.424 2.530 20 0 DFADRP Cc1oc(-c2cccs2)nc1CN1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000261694537 146260691 /nfs/dbraw/zinc/26/06/91/146260691.db2.gz NOKSLLPBSHIWSL-AVGNSLFASA-N 2 0 303.431 2.881 20 0 DFADRP COc1ccccc1COC1CC[NH+](C[C@@]2(C)CC[NH2+]C2)CC1 ZINC000261705752 146261765 /nfs/dbraw/zinc/26/17/65/146261765.db2.gz DBMZNCALMNATOO-IBGZPJMESA-N 2 0 318.461 2.676 20 0 DFADRP O=C(CC[NH+]1CCC([C@H]2CCC[NH2+]2)CC1)Nc1cccc(F)c1 ZINC000261701186 146261773 /nfs/dbraw/zinc/26/17/73/146261773.db2.gz JYWIAWIIKNSPBY-QGZVFWFLSA-N 2 0 319.424 2.618 20 0 DFADRP COc1ccccc1COC1CC[NH+](C[C@]2(C)CC[NH2+]C2)CC1 ZINC000261705756 146262289 /nfs/dbraw/zinc/26/22/89/146262289.db2.gz DBMZNCALMNATOO-LJQANCHMSA-N 2 0 318.461 2.676 20 0 DFADRP c1coc([C@H](C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)N2CCCC2)c1 ZINC000261740103 146269796 /nfs/dbraw/zinc/26/97/96/146269796.db2.gz NUMGDZQICUYXFA-FJIDUMEYSA-N 2 0 317.477 2.927 20 0 DFADRP CC[NH+](CC)CCOC1CC[NH+](Cc2cccc(N)c2)CC1 ZINC000261751894 146270516 /nfs/dbraw/zinc/27/05/16/146270516.db2.gz WNWVYMBYOKCHOF-UHFFFAOYSA-N 2 0 305.466 2.592 20 0 DFADRP C[C@H]([NH3+])[C@H]1CCCCN1Cc1cnn(Cc2ccc(F)cc2)c1 ZINC000261767903 146273602 /nfs/dbraw/zinc/27/36/02/146273602.db2.gz MHOIWBNOGIJZIT-KBXCAEBGSA-N 2 0 316.424 2.772 20 0 DFADRP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+]C[C@@H]1CCN(CC(F)(F)F)C1 ZINC000261813574 146281351 /nfs/dbraw/zinc/28/13/51/146281351.db2.gz AEAZWKUWRSAYOG-QLFBSQMISA-N 2 0 321.431 2.771 20 0 DFADRP C[C@@H](c1cccc(C(F)(F)F)c1)[N@H+](C)CCN1CC[NH2+]CC1 ZINC000261853290 146288937 /nfs/dbraw/zinc/28/89/37/146288937.db2.gz DVGYVQIRRJSPJQ-ZDUSSCGKSA-N 2 0 315.383 2.603 20 0 DFADRP CC[NH+](CC)CC1CCN(C(=O)[C@H]([NH3+])c2ccc(C)cc2)CC1 ZINC000261872411 146293486 /nfs/dbraw/zinc/29/34/86/146293486.db2.gz LLJIZZNRXZKDFC-GOSISDBHSA-N 2 0 317.477 2.575 20 0 DFADRP Fc1ccc(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2COCCN2)cc1Cl ZINC000261877218 146293711 /nfs/dbraw/zinc/29/37/11/146293711.db2.gz DUMZDLGEMAQYHB-MAZHCROVSA-N 2 0 312.816 2.726 20 0 DFADRP Cc1ccc(CC[NH2+][C@@H]2CCC[C@H]2[C@@H]2COCCN2)c(C)c1 ZINC000261900436 146297967 /nfs/dbraw/zinc/29/79/67/146297967.db2.gz HOSDOQNHXHCEIG-QRVBRYPASA-N 2 0 302.462 2.593 20 0 DFADRP O=C(NC[C@H]1CCC[N@H+](CCC2CCCCC2)C1)[C@H]1CCC[NH2+]1 ZINC000261944546 146307509 /nfs/dbraw/zinc/30/75/09/146307509.db2.gz VJCRODQKEYZXTE-QZTJIDSGSA-N 2 0 321.509 2.537 20 0 DFADRP CC(C)c1cccc(NC(=O)C[N@@H+]2CCC[C@H](CC[NH3+])C2)c1 ZINC000261971668 146313955 /nfs/dbraw/zinc/31/39/55/146313955.db2.gz QBHQSGVQEOWBFF-OAHLLOKOSA-N 2 0 303.450 2.809 20 0 DFADRP [NH3+]C1(c2noc(C3CC[NH+](Cc4ccccc4)CC3)n2)CCC1 ZINC000261985160 146316006 /nfs/dbraw/zinc/31/60/06/146316006.db2.gz RWGUTTQMECQQMR-UHFFFAOYSA-N 2 0 312.417 2.787 20 0 DFADRP CCOCc1cc(C[N@@H+]2CCC3(C2)CC[NH2+]CC3)ccc1OC ZINC000262025207 146323636 /nfs/dbraw/zinc/32/36/36/146323636.db2.gz NLMKJWFKPCSQDN-UHFFFAOYSA-N 2 0 318.461 2.807 20 0 DFADRP C[C@H]([NH3+])[C@@H]1CCC[N@H+](Cc2ccc(-c3cnn(C)c3)s2)C1 ZINC000262047993 146327700 /nfs/dbraw/zinc/32/77/00/146327700.db2.gz ZHCPUGKZJSZXEE-QWHCGFSZSA-N 2 0 304.463 2.708 20 0 DFADRP Cc1ccc(C[N@@H+]2CC[C@@]3(CC[NH2+]C3)C2)c(-c2cnn(C)c2)c1 ZINC000262053791 146328202 /nfs/dbraw/zinc/32/82/02/146328202.db2.gz QMKPCOCWLAHYJQ-LJQANCHMSA-N 2 0 310.445 2.581 20 0 DFADRP Cc1ncc(C[N@@H+]2CCC3(C2)CC[NH2+]CC3)n1-c1ccccc1 ZINC000262060547 146328375 /nfs/dbraw/zinc/32/83/75/146328375.db2.gz RCKLCDJDMXRLQH-UHFFFAOYSA-N 2 0 310.445 2.756 20 0 DFADRP C[C@H]1C[N@H+](Cc2ccccc2)CCCN1C[C@@]1(C)CC[NH2+]C1 ZINC000262101979 146333098 /nfs/dbraw/zinc/33/30/98/146333098.db2.gz VROZUGDFFWCRGV-HKUYNNGSSA-N 2 0 301.478 2.582 20 0 DFADRP C[NH+](C)C1(CNC(=O)C2C[C@H]3CCC[C@@H](C2)C3[NH3+])CCCCC1 ZINC000262199079 146341583 /nfs/dbraw/zinc/34/15/83/146341583.db2.gz MVCGCLBJKLIOSM-RYTJFDOTSA-N 2 0 321.509 2.521 20 0 DFADRP CCOc1ccccc1OCC[N@@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000262305292 146350373 /nfs/dbraw/zinc/35/03/73/146350373.db2.gz OZXWFJQVSKTYQQ-JYJNAYRXSA-N 2 0 304.434 2.523 20 0 DFADRP CCOc1cc(C[N@@H+]2CC[C@@H]([C@H](C)[NH3+])C2)ccc1OC(F)F ZINC000262355328 146353260 /nfs/dbraw/zinc/35/32/60/146353260.db2.gz VRXJFBDHJJIOTQ-WCQYABFASA-N 2 0 314.376 2.856 20 0 DFADRP [NH3+]C[C@@H]1CCCC[C@@H]1NC[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000262351911 146353718 /nfs/dbraw/zinc/35/37/18/146353718.db2.gz VIDXLGRZHRZKSM-GBESFXJTSA-N 2 0 301.478 2.931 20 0 DFADRP COc1ccc(C[N@@H+]2CC[C@H](C)[C@H](C[NH3+])C2)cc1OC(F)F ZINC000262420291 146357928 /nfs/dbraw/zinc/35/79/28/146357928.db2.gz DYVAVFSOMFMWJD-WCQYABFASA-N 2 0 314.376 2.713 20 0 DFADRP CCC[C@@](C)([NH3+])C(=O)NC[C@H](c1ccsc1)[NH+](CC)CC ZINC000262703671 146383000 /nfs/dbraw/zinc/38/30/00/146383000.db2.gz KOSNFTUGWHRSKD-GDBMZVCRSA-N 2 0 311.495 2.765 20 0 DFADRP CCC[C@](C)([NH3+])C(=O)N1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000262710872 146383874 /nfs/dbraw/zinc/38/38/74/146383874.db2.gz QLDJYTXYFFMQJZ-NUJGCVRESA-N 2 0 309.498 2.617 20 0 DFADRP CCC[NH+]1CCC(C[NH2+][C@@H]2CC[C@H](CC(=O)OC)[C@H]2C)CC1 ZINC000354352119 147004534 /nfs/dbraw/zinc/00/45/34/147004534.db2.gz ONLADVRNUOFJGC-DJIMGWMZSA-N 2 0 310.482 2.676 20 0 DFADRP COC(=O)C(C)(C)CC[NH2+]CC1CC[NH+](CCC(C)C)CC1 ZINC000354456729 147045015 /nfs/dbraw/zinc/04/50/15/147045015.db2.gz HLZUACFBXBONOX-UHFFFAOYSA-N 2 0 312.498 2.923 20 0 DFADRP Cc1nccn1CCC[N@@H+](C)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000494079600 543413892 /nfs/dbraw/zinc/41/38/92/543413892.db2.gz VNDWMEHADONVRA-HNNXBMFYSA-N 2 0 322.453 2.523 20 0 DFADRP CC[N@H+](CC(=O)N(C)C(C)(C)C[NH+]1CCCCCC1)C1CC1 ZINC000494091150 543414261 /nfs/dbraw/zinc/41/42/61/543414261.db2.gz XGPHDKAYWFPXBC-UHFFFAOYSA-N 2 0 309.498 2.584 20 0 DFADRP COC(=O)C[C@@H]1CC[C@H]([NH2+]CC[C@H](C)[NH+]2CCCCC2)[C@@H]1C ZINC000354670031 147111091 /nfs/dbraw/zinc/11/10/91/147111091.db2.gz URZLNHXLRPYFDX-YVSFHVDLSA-N 2 0 310.482 2.818 20 0 DFADRP C[C@@H]1CC[C@H](C[NH+]2CCC[C@H]([N@@H+](C)C[C@@H]3CC[C@H](C)O3)CC2)O1 ZINC000354673010 147112449 /nfs/dbraw/zinc/11/24/49/147112449.db2.gz NCWOVLSIHJWUCV-XCDZQEORSA-N 2 0 324.509 2.908 20 0 DFADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N1CCC[C@H]([NH+]2[C@@H](C)CC[C@@H]2C)C1 ZINC000354812197 147160978 /nfs/dbraw/zinc/16/09/78/147160978.db2.gz NNIMLGNGQPYZGJ-XLAORIBOSA-N 2 0 321.509 2.725 20 0 DFADRP CC[NH+](CC)[C@H](C)CN[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000355330367 147267140 /nfs/dbraw/zinc/26/71/40/147267140.db2.gz CDWZDOMAAYIIQY-YQVWRLOYSA-N 2 0 303.494 2.827 20 0 DFADRP COc1c[nH+]ccc1N1CC[NH+](CC2(OC)CCCCC2)CC1 ZINC000355648407 147396958 /nfs/dbraw/zinc/39/69/58/147396958.db2.gz FDJSRZAAOBFPIY-UHFFFAOYSA-N 2 0 319.449 2.562 20 0 DFADRP Cc1cccc(C[NH+]2CCC(CCC[NH+]3CCOCC3)CC2)n1 ZINC000356432797 147693416 /nfs/dbraw/zinc/69/34/16/147693416.db2.gz LDPQBDNLRARHHJ-UHFFFAOYSA-N 2 0 317.477 2.714 20 0 DFADRP CC[N@@H+]1CC[C@H]([NH2+][C@H]2CCc3cnn(C(C)C)c3C2)[C@@H](C)C1 ZINC000357597070 148051982 /nfs/dbraw/zinc/05/19/82/148051982.db2.gz GCIWRLIZTFKUMR-XIRDDKMYSA-N 2 0 304.482 2.641 20 0 DFADRP c1ccc([C@@H]2C[C@@H]2C[NH+]2CCC(C[NH+]3CCOCC3)CC2)cc1 ZINC000350149127 286011252 /nfs/dbraw/zinc/01/12/52/286011252.db2.gz UQBVLPCZHJHTJM-UXHICEINSA-N 2 0 314.473 2.834 20 0 DFADRP C[C@H]1CN(C)C[C@H]1[NH2+]CCOc1cccc(C(F)(F)F)c1 ZINC000358020842 148215908 /nfs/dbraw/zinc/21/59/08/148215908.db2.gz MCSARNJRTDAQGL-SMDDNHRTSA-N 2 0 302.340 2.624 20 0 DFADRP Cc1nc([C@H](C)[NH2+]CCCC[NH+]2C[C@@H](C)O[C@H](C)C2)cs1 ZINC000358034636 148220317 /nfs/dbraw/zinc/22/03/17/148220317.db2.gz HNLZHSBTPMDWJO-MCIONIFRSA-N 2 0 311.495 2.992 20 0 DFADRP C[C@H]1C[N@H+](C)CC[C@H]1[NH2+]CCc1nc(-c2ccncc2)cs1 ZINC000358061532 148229500 /nfs/dbraw/zinc/22/95/00/148229500.db2.gz LZOWZWDPWWELNX-DZGCQCFKSA-N 2 0 316.474 2.677 20 0 DFADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CCc2ccc(O)cc2)[C@@H](C)C1 ZINC000358103473 148244603 /nfs/dbraw/zinc/24/46/03/148244603.db2.gz WTYYYQVGBMHDMV-QFBILLFUSA-N 2 0 320.477 2.661 20 0 DFADRP c1c(C[NH2+][C@@H]2C[C@@H]2Cc2ccccc2)onc1C1CC[NH2+]CC1 ZINC000425904474 296603848 /nfs/dbraw/zinc/60/38/48/296603848.db2.gz YSJFJCOLYNMNBY-FUHWJXTLSA-N 2 0 311.429 2.862 20 0 DFADRP C[C@@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)c2ccc(C[NH3+])cc2)C1 ZINC000358133769 148255820 /nfs/dbraw/zinc/25/58/20/148255820.db2.gz QRMRJJNTLJPRNV-KXBFYZLASA-N 2 0 323.440 2.711 20 0 DFADRP CC(C)CC[C@@H]([NH3+])C(=O)Nc1cc(C[NH3+])cc(C(F)(F)F)c1 ZINC000638211833 543498215 /nfs/dbraw/zinc/49/82/15/543498215.db2.gz VISCDJNGWKHCSJ-CYBMUJFWSA-N 2 0 317.355 2.866 20 0 DFADRP CC(C)(C)[NH+]1CCC([NH2+][C@@H](CO)Cc2ccc(F)cc2)CC1 ZINC000358262982 148309119 /nfs/dbraw/zinc/30/91/19/148309119.db2.gz GCVZOWYWABRWAK-QGZVFWFLSA-N 2 0 308.441 2.582 20 0 DFADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]CC[C@H]1COc2ccccc2O1 ZINC000358304109 148321531 /nfs/dbraw/zinc/32/15/31/148321531.db2.gz SERJPHQNIHGPEH-LVQVYYBASA-N 2 0 304.434 2.535 20 0 DFADRP Cc1cnc(CC[NH2+]C2CC[NH+]([C@H]3CCCC[C@@H]3C)CC2)nc1 ZINC000358360095 148341630 /nfs/dbraw/zinc/34/16/30/148341630.db2.gz VJDCFVKXKSOIMG-WMZOPIPTSA-N 2 0 316.493 2.960 20 0 DFADRP c1cc(N2CCC([NH2+][C@@H]3CCC[C@@H]4OCC[C@H]43)CC2)cc[nH+]1 ZINC000297320337 296604960 /nfs/dbraw/zinc/60/49/60/296604960.db2.gz CFUYKNRXOHUPHW-KSZLIROESA-N 2 0 301.434 2.598 20 0 DFADRP CCC[N@H+](C)CC(=O)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000358562124 148386850 /nfs/dbraw/zinc/38/68/50/148386850.db2.gz NYGOKMIKVBRFCP-UHFFFAOYSA-N 2 0 317.477 2.631 20 0 DFADRP O[C@H](C[NH2+][C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21)C(F)F ZINC000358573117 148389267 /nfs/dbraw/zinc/38/92/67/148389267.db2.gz QSQPFBMBAVODFK-MWDXBVQZSA-N 2 0 324.415 2.503 20 0 DFADRP CCCc1cccc(C[NH2+][C@H](C)CCN2CC[NH+](C)CC2)c1 ZINC000358980347 148505639 /nfs/dbraw/zinc/50/56/39/148505639.db2.gz HSFSMNIYUWWKPH-QGZVFWFLSA-N 2 0 303.494 2.755 20 0 DFADRP Cc1cc2[nH]c(C[NH2+]C[C@H](C)N3CC[NH+](C)CC3)cc2c(C)c1 ZINC000359085532 148551385 /nfs/dbraw/zinc/55/13/85/148551385.db2.gz JWQRGDPKWBWDBL-INIZCTEOSA-N 2 0 314.477 2.510 20 0 DFADRP COC(=O)C1CCC([NH2+]Cc2ccc(C[NH+](C)C)c(F)c2)CC1 ZINC000426074517 296612525 /nfs/dbraw/zinc/61/25/25/296612525.db2.gz UQXFZUFJHOOSOK-UHFFFAOYSA-N 2 0 322.424 2.709 20 0 DFADRP COc1ccc(F)cc1C[NH2+]CCCC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000360964245 148988666 /nfs/dbraw/zinc/98/86/66/148988666.db2.gz OQUPNOJOPNJXGK-GJZGRUSLSA-N 2 0 324.440 2.813 20 0 DFADRP CC(C)C[C@@H]([NH2+]C[C@H](C)N1CC[NH+](C)CC1)c1ccccc1 ZINC000361184874 149050469 /nfs/dbraw/zinc/05/04/69/149050469.db2.gz YXRJKZJYWQNTDE-PKOBYXMFSA-N 2 0 303.494 2.999 20 0 DFADRP C[C@@H]([NH2+]C[C@]1(C)CCOC1)c1ccc(OCC[NH+](C)C)cc1 ZINC000361387222 149102597 /nfs/dbraw/zinc/10/25/97/149102597.db2.gz USIGQLNVMIJXEM-QAPCUYQASA-N 2 0 306.450 2.704 20 0 DFADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]C[C@](C)(O)[C@H](C)CC)[C@H](C)C1 ZINC000361398621 149105891 /nfs/dbraw/zinc/10/58/91/149105891.db2.gz ABJBKYGPCFBIJD-BDXSIMOUSA-N 2 0 314.514 2.510 20 0 DFADRP C[C@@H]1C[C@@H](N(C)C(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)CC[N@@H+]1C ZINC000361494978 149130552 /nfs/dbraw/zinc/13/05/52/149130552.db2.gz BBEJFIAZDSNKBA-NUJGCVRESA-N 2 0 321.509 2.582 20 0 DFADRP CCOc1cc(CCC[NH2+][C@H]2CC[N@H+](C)C[C@H]2C)ccc1OC ZINC000361532025 149140670 /nfs/dbraw/zinc/14/06/70/149140670.db2.gz VJCZKXFGLDFVQN-WBVHZDCISA-N 2 0 320.477 2.956 20 0 DFADRP CC(C)C[C@@H](CCO)C[NH2+]C1CCN(Cc2ccccn2)CC1 ZINC000361805765 149224647 /nfs/dbraw/zinc/22/46/47/149224647.db2.gz WQIGREUAXUNWDS-QGZVFWFLSA-N 2 0 319.493 2.680 20 0 DFADRP Cc1ccc(F)cc1C[N@H+]1CC[C@@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000361901880 149251692 /nfs/dbraw/zinc/25/16/92/149251692.db2.gz WWGBQKBTUJZGEZ-LJQANCHMSA-N 2 0 319.468 2.734 20 0 DFADRP C[C@H]1C[N@H+](C)CC[C@H]1[NH2+]CCC1CCN(CC(F)(F)F)CC1 ZINC000361965040 149266014 /nfs/dbraw/zinc/26/60/14/149266014.db2.gz AVWYKUMWPCTGSD-DZGCQCFKSA-N 2 0 321.431 2.581 20 0 DFADRP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]CCC1CCN(CC(F)(F)F)CC1 ZINC000361965042 149266668 /nfs/dbraw/zinc/26/66/68/149266668.db2.gz AVWYKUMWPCTGSD-UKRRQHHQSA-N 2 0 321.431 2.581 20 0 DFADRP Cc1ccc(NC(=O)[C@H](C)[NH+]2CCC(C[NH+](C)C)CC2)cc1C ZINC000350947380 286101296 /nfs/dbraw/zinc/10/12/96/286101296.db2.gz FSIJDOLDVSOHSU-INIZCTEOSA-N 2 0 317.477 2.904 20 0 DFADRP C[C@@H](CNC(=O)c1ccccc1C[NH+](C)C)[N@@H+]1CCCC[C@@H]1C ZINC000362563539 149309803 /nfs/dbraw/zinc/30/98/03/149309803.db2.gz AAWGOWOADISEQY-HOTGVXAUSA-N 2 0 317.477 2.741 20 0 DFADRP CCCC[C@H]([NH3+])C(=O)Nc1cc(C[NH3+])cc(C(F)(F)F)c1 ZINC000362585243 149315589 /nfs/dbraw/zinc/31/55/89/149315589.db2.gz CHBKOEWLAHRCBN-LBPRGKRZSA-N 2 0 303.328 2.620 20 0 DFADRP CC(C)CCC[C@H](C)NC(=O)CN1CCC[C@H](c2ncc[nH]2)C1 ZINC000362865642 149384723 /nfs/dbraw/zinc/38/47/23/149384723.db2.gz SACNBWXVJOZEIP-HOTGVXAUSA-N 2 0 320.481 2.920 20 0 DFADRP [NH3+][C@@H]1CC[C@H]2C[N@H+](CCOc3ccccc3C(F)(F)F)C[C@@H]12 ZINC000351475822 286129403 /nfs/dbraw/zinc/12/94/03/286129403.db2.gz JKIQXZDGTSQEQN-OUCADQQQSA-N 2 0 314.351 2.753 20 0 DFADRP CC(=O)c1c(C)cc(C)c(C[N@@H+]2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)c1C ZINC000351492454 286134802 /nfs/dbraw/zinc/13/48/02/286134802.db2.gz LHOZRLHJRQKITR-SZMVWBNQSA-N 2 0 300.446 2.984 20 0 DFADRP CC(C)[NH+]1CCC(NC(=O)C[N@@H+]2C[C@H]3CCCCCC[C@@H]32)CC1 ZINC000371208181 150003791 /nfs/dbraw/zinc/00/37/91/150003791.db2.gz HBIKFXLIKFTZQE-AEFFLSMTSA-N 2 0 321.509 2.630 20 0 DFADRP CCOC(=O)[C@@H](CC)[NH+]1CCC2(C[C@H]2C[N@H+](C)C2CC2)CC1 ZINC000371329286 150024453 /nfs/dbraw/zinc/02/44/53/150024453.db2.gz GSGLJCZQRIXXMJ-GOEBONIOSA-N 2 0 308.466 2.524 20 0 DFADRP Cc1noc(C)c1C[NH+]1CCC2(C[C@@H]2C[N@@H+](C)C2CC2)CC1 ZINC000371329343 150024577 /nfs/dbraw/zinc/02/45/77/150024577.db2.gz HNMCJAONIVTMPU-OAHLLOKOSA-N 2 0 303.450 2.988 20 0 DFADRP Cc1ccc(N2CCC[NH+](CC[C@H]3CCC[N@H+]3C)CC2)cc1 ZINC000371337451 150026779 /nfs/dbraw/zinc/02/67/79/150026779.db2.gz WWTDPOKLYJOJTN-GOSISDBHSA-N 2 0 301.478 2.991 20 0 DFADRP Cc1cccc(C[N@H+]2CC[C@H](N3CC[NH+](C(C)C)CC3)C2)c1C ZINC000371338219 150026847 /nfs/dbraw/zinc/02/68/47/150026847.db2.gz ZNDGRYVQQNZQJO-FQEVSTJZSA-N 2 0 315.505 2.904 20 0 DFADRP COc1ccc(CN2C[C@@H]3C[N@@H+]4CCCC[C@H]4[C@@H]3C2)c(OC)c1 ZINC000371402776 150040993 /nfs/dbraw/zinc/04/09/93/150040993.db2.gz BFZVWJFQTXUKCX-NXHRZFHOSA-N 2 0 316.445 2.620 20 0 DFADRP CCC1(CC)[C@@H]([NH2+]CCc2cn3c(n2)CCCC3)C[C@@H]1OC ZINC000371506543 150057257 /nfs/dbraw/zinc/05/72/57/150057257.db2.gz SHRFJFHCQGHETJ-HOTGVXAUSA-N 2 0 305.466 2.945 20 0 DFADRP CC1(C)[C@H]([NH2+]CCc2cn3c(n2)CCCC3)[C@@H]2CCCO[C@@H]21 ZINC000371506568 150057558 /nfs/dbraw/zinc/05/75/58/150057558.db2.gz SNXKKMOVNGKJLI-UAGQMJEPSA-N 2 0 303.450 2.555 20 0 DFADRP C[C@H]1CN(Cc2ccc(F)c(F)c2)CCN1C1CC[NH+](C)CC1 ZINC000371692250 150081195 /nfs/dbraw/zinc/08/11/95/150081195.db2.gz HIJFZPKWCBJRKZ-AWEZNQCLSA-N 2 0 323.431 2.565 20 0 DFADRP COc1ccsc1[C@H](C)[NH2+][C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000372112829 150139194 /nfs/dbraw/zinc/13/91/94/150139194.db2.gz LGEPNEAMFVWCIB-KBPBESRZSA-N 2 0 323.506 2.576 20 0 DFADRP C[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]CCOCC(F)F)CC1 ZINC000372952949 150206441 /nfs/dbraw/zinc/20/64/41/150206441.db2.gz SLQHUWPGRDNOSN-HIFRSBDPSA-N 2 0 304.425 2.901 20 0 DFADRP Cc1cc([C@H](C)[NH2+][C@H]2CCN(C3CC[NH+](C)CC3)C2)c(C)o1 ZINC000373173843 150241553 /nfs/dbraw/zinc/24/15/53/150241553.db2.gz RAVHHSBQTFCKSJ-HOCLYGCPSA-N 2 0 305.466 2.716 20 0 DFADRP C[NH+]1[C@@H]2CC[C@H]1CC(NC[C@H]1CC[N@@H+](C)[C@@H]1c1cccs1)C2 ZINC000373182836 150243018 /nfs/dbraw/zinc/24/30/18/150243018.db2.gz MCRXJVCJYDYLGO-XNRPARBSSA-N 3 0 319.518 2.956 20 0 DFADRP CO[C@@H]1CC[C@H]([NH2+]Cc2nc3c(s2)CN(C(C)C)CC3)C1 ZINC000373762957 150253645 /nfs/dbraw/zinc/25/36/45/150253645.db2.gz KXIBSCNGSLKKQK-QWHCGFSZSA-N 2 0 309.479 2.567 20 0 DFADRP C[NH+]1CCC2(CCC[N@H+](C[C@@](C)(O)c3ccccc3)C2)CC1 ZINC000374073549 150303352 /nfs/dbraw/zinc/30/33/52/150303352.db2.gz BCCGWHCXLQFWSL-GOSISDBHSA-N 2 0 302.462 2.702 20 0 DFADRP CC1CC[NH+](CC2CC[NH+](C[C@@](C)(O)C(F)(F)F)CC2)CC1 ZINC000374162214 150315291 /nfs/dbraw/zinc/31/52/91/150315291.db2.gz NLNGZCXMYYEGQI-OAHLLOKOSA-N 2 0 322.415 2.744 20 0 DFADRP COc1cc(C[NH+]2CCC3(C[C@@H]3C[N@H+](C)C3CC3)CC2)ccn1 ZINC000374298728 150339905 /nfs/dbraw/zinc/33/99/05/150339905.db2.gz WHYDJEVQGLATPL-MRXNPFEDSA-N 2 0 315.461 2.787 20 0 DFADRP CCC[NH+](CCC)CCCC(=O)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000374431418 150366529 /nfs/dbraw/zinc/36/65/29/150366529.db2.gz XOOLFZVWOUNEIL-GOSISDBHSA-N 2 0 323.525 2.879 20 0 DFADRP Cc1ccc(C)c(C[N@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@@H]32)c1 ZINC000374431188 150366608 /nfs/dbraw/zinc/36/66/08/150366608.db2.gz WKVUNZDEUYDTTR-GBESFXJTSA-N 2 0 302.462 2.987 20 0 DFADRP c1ccc([C@H]([NH2+]C[C@@H]2CN3CCCC[C@H]3CO2)C2CC2)cc1 ZINC000374972482 150377885 /nfs/dbraw/zinc/37/78/85/150377885.db2.gz LTKBXRTYJBSKNH-OTWHNJEPSA-N 2 0 300.446 2.981 20 0 DFADRP C[C@@H]([NH3+])[C@@H]1CC[N@H+](CCC(=O)Nc2cccc3ccccc32)C1 ZINC000351857423 286233305 /nfs/dbraw/zinc/23/33/05/286233305.db2.gz BEWOVQZKKAOYKV-GDBMZVCRSA-N 2 0 311.429 2.838 20 0 DFADRP COC(=O)[C@@H](CC(C)C)[N@@H+]1CC[C@H](CNc2cccc(C)[nH+]2)C1 ZINC000352024826 286272747 /nfs/dbraw/zinc/27/27/47/286272747.db2.gz JFLFBLOEVIULOK-HZPDHXFCSA-N 2 0 319.449 2.712 20 0 DFADRP CC(C)[C@@H](Cc1ccccc1)[NH2+]C[C@@H](O)C[NH+]1CCC(C)CC1 ZINC000427714264 296665425 /nfs/dbraw/zinc/66/54/25/296665425.db2.gz LFDXIOLRRGQYEO-WOJBJXKFSA-N 2 0 318.505 2.936 20 0 DFADRP COC(=O)C(C)(C)CC[NH2+][C@H]1CCN(C)[C@@H]1c1ccccc1 ZINC000352100992 286291758 /nfs/dbraw/zinc/29/17/58/286291758.db2.gz JRTZMWLKMZUBAB-JKSUJKDBSA-N 2 0 304.434 2.611 20 0 DFADRP CCC[C@@H]([NH2+]C(C)C)C(=O)NCC(C)(C)[N@@H+]1CCC[C@@H](C)C1 ZINC000352156354 286307341 /nfs/dbraw/zinc/30/73/41/286307341.db2.gz JIZGCWPWYQQXQQ-HZPDHXFCSA-N 2 0 311.514 2.780 20 0 DFADRP C[C@H](C[NH2+]Cc1ccccc1-c1ccnn1C)C[NH+]1CCCC1 ZINC000352158548 286308075 /nfs/dbraw/zinc/30/80/75/286308075.db2.gz KRHLMQIMTZHXMY-MRXNPFEDSA-N 2 0 312.461 2.909 20 0 DFADRP CCC[C@@H]([NH2+]C(C)C)C(=O)NC[C@H](c1ccc(C)cc1)[NH+](C)C ZINC000352172849 286311686 /nfs/dbraw/zinc/31/16/86/286311686.db2.gz XJXCLTSOODJVJO-QZTJIDSGSA-N 2 0 319.493 2.881 20 0 DFADRP C[N@@H+]1CCCC[C@H]1CCC(=O)N1CCC([NH+]2CCCCC2)CC1 ZINC000352219993 286321023 /nfs/dbraw/zinc/32/10/23/286321023.db2.gz UNZNVJSNECBFTA-KRWDZBQOSA-N 2 0 321.509 2.728 20 0 DFADRP [NH3+]CC[C@@H]1CCCC[N@@H+]1CCC(=O)NCc1ccccc1Cl ZINC000352504071 286391222 /nfs/dbraw/zinc/39/12/22/286391222.db2.gz MWWGYLJNOXSCTE-HNNXBMFYSA-N 2 0 323.868 2.550 20 0 DFADRP CC[NH+]1CCN([C@H](C)C[NH2+]C/C=C/c2ccc(F)c(F)c2)CC1 ZINC000352809466 286473419 /nfs/dbraw/zinc/47/34/19/286473419.db2.gz CANIVIBPTSAVFJ-MBVDDHJVSA-N 2 0 323.431 2.594 20 0 DFADRP CSC1(C[NH2+]Cc2ccc(-c3cc[nH]n3)o2)CC[NH+](C)CC1 ZINC000353193089 286575740 /nfs/dbraw/zinc/57/57/40/286575740.db2.gz RBZBDQITICJFAC-UHFFFAOYSA-N 2 0 320.462 2.587 20 0 DFADRP C[C@H]([NH2+]CCOC(F)(F)F)c1cccc(OCC[NH+](C)C)c1 ZINC000353242756 286588986 /nfs/dbraw/zinc/58/89/86/286588986.db2.gz JGQNOPATWHTUAP-LBPRGKRZSA-N 2 0 320.355 2.814 20 0 DFADRP C[C@@H]1CCC[C@@H]([NH+]2CCC([NH2+][C@H](CO)CC(F)F)CC2)C1 ZINC000429461815 296745797 /nfs/dbraw/zinc/74/57/97/296745797.db2.gz MWKNIXHWXJEKSE-VHDGCEQUSA-N 2 0 304.425 2.635 20 0 DFADRP C[C@@H]([NH2+]CC1CC[NH+](CCO)CC1)c1nccc2ccccc21 ZINC000353391728 286632865 /nfs/dbraw/zinc/63/28/65/286632865.db2.gz XSOBDJXKOJAGHN-OAHLLOKOSA-N 2 0 313.445 2.590 20 0 DFADRP CC[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000181738598 157996285 /nfs/dbraw/zinc/99/62/85/157996285.db2.gz KURAPMYRMPAZSE-QZTJIDSGSA-N 2 0 316.493 2.892 20 0 DFADRP CCN(CC)C(=O)CCC1CC[NH+](CC[C@@H]2CCC[N@@H+]2C)CC1 ZINC000182552142 158005172 /nfs/dbraw/zinc/00/51/72/158005172.db2.gz XJYIXPKEFRLFJQ-SFHVURJKSA-N 2 0 323.525 2.831 20 0 DFADRP Cc1cccnc1C[NH+]1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000182953341 158011053 /nfs/dbraw/zinc/01/10/53/158011053.db2.gz GZMPFYROWXEYKR-UHFFFAOYSA-N 2 0 317.477 2.714 20 0 DFADRP COCCC[NH+]1CCC([NH2+][C@@H]2C[C@@H](OC(C)C)C2(C)C)CC1 ZINC000185214229 158048695 /nfs/dbraw/zinc/04/86/95/158048695.db2.gz BCCJDMYXTWJFAS-IAGOWNOFSA-N 2 0 312.498 2.669 20 0 DFADRP CC(C)O[C@@H]1C[C@H]([NH2+]C2CC[NH+](C[C@@H]3CCOC3)CC2)C1(C)C ZINC000185227682 158048733 /nfs/dbraw/zinc/04/87/33/158048733.db2.gz ZMORAMHFOUEOQC-RYQLBKOJSA-N 2 0 324.509 2.669 20 0 DFADRP C[C@H]([NH2+][C@H](CO)C1CCCC1)c1cccc(OCC[NH+](C)C)c1 ZINC000353489793 286661711 /nfs/dbraw/zinc/66/17/11/286661711.db2.gz JYRZATCEKPUJGW-HNAYVOBHSA-N 2 0 320.477 2.829 20 0 DFADRP C[C@H](CNC(=O)c1cccc(C[NH+](C)C)c1)[N@@H+]1CCC[C@@H](C)C1 ZINC000246816152 158100796 /nfs/dbraw/zinc/10/07/96/158100796.db2.gz IYHIOMJFVVDPIR-HZPDHXFCSA-N 2 0 317.477 2.598 20 0 DFADRP CC[NH+]1CCN([C@H](C)C[NH2+][C@@H]2c3ccccc3C[C@H]2C)CC1 ZINC000247017366 158112735 /nfs/dbraw/zinc/11/27/35/158112735.db2.gz LNPOBKKYFILTNB-MDZRGWNJSA-N 2 0 301.478 2.536 20 0 DFADRP CC[N@@H+]1CC[C@@H](NCc2ccc(OCC3CC3)nc2)[C@@H](C)C1 ZINC000247068771 158118212 /nfs/dbraw/zinc/11/82/12/158118212.db2.gz QAJDRPQYVZXXAB-WMLDXEAASA-N 2 0 303.450 2.690 20 0 DFADRP CC[N@@H+]1CC[C@H]([NH2+]CCc2cnn(-c3ccccc3)c2)[C@@H](C)C1 ZINC000247186964 158122407 /nfs/dbraw/zinc/12/24/07/158122407.db2.gz VOVHQKGUSZNGMC-LPHOPBHVSA-N 2 0 312.461 2.735 20 0 DFADRP CC[N@@H+]1CC[C@@H]([NH2+]CCN(C)Cc2ccc(F)cc2)[C@@H](C)C1 ZINC000247253658 158125055 /nfs/dbraw/zinc/12/50/55/158125055.db2.gz YMSTYUPICRGILS-MAUKXSAKSA-N 2 0 307.457 2.577 20 0 DFADRP Cc1ccccc1NC(=O)C[N@H+]1CC[C@H](C)[C@@H](n2ccnc2)C1 ZINC000247326108 158131117 /nfs/dbraw/zinc/13/11/17/158131117.db2.gz UETGOPUDZZWKKF-RDJZCZTQSA-N 2 0 312.417 2.713 20 0 DFADRP CC[C@H](C)[C@@H](O)C[NH2+][C@H](C)c1cccc(OCC[NH+](C)C)c1 ZINC000247944573 158153630 /nfs/dbraw/zinc/15/36/30/158153630.db2.gz DKPBXZSLYSOBQP-DAYGRLMNSA-N 2 0 308.466 2.685 20 0 DFADRP Cc1nc2ccccc2n1CCC[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000248029125 158156794 /nfs/dbraw/zinc/15/67/94/158156794.db2.gz PZTIVRKURBICNY-HOCLYGCPSA-N 2 0 300.450 2.807 20 0 DFADRP OC[C@@H]1CCC[N@@H+]1CCCC[NH2+][C@@H]1CCc2cc(F)ccc21 ZINC000248131932 158161236 /nfs/dbraw/zinc/16/12/36/158161236.db2.gz ONYOSNGXVWHGEF-FUHWJXTLSA-N 2 0 306.425 2.640 20 0 DFADRP COc1ccc([C@H](C)[NH2+]CCCC[N@@H+]2CCC[C@H]2CO)cc1 ZINC000248201708 158165119 /nfs/dbraw/zinc/16/51/19/158165119.db2.gz YXSDLPXEHBWKLD-RDJZCZTQSA-N 2 0 306.450 2.583 20 0 DFADRP CCC[C@H](C)[NH2+]Cc1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000248216280 158165812 /nfs/dbraw/zinc/16/58/12/158165812.db2.gz ZRKBXYJUPBXIRR-MAUKXSAKSA-N 2 0 317.477 2.662 20 0 DFADRP CC[C@](C)(O)C[NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]12 ZINC000248417947 158173543 /nfs/dbraw/zinc/17/35/43/158173543.db2.gz RTVHIXHQPCSCDJ-HCXYKTFWSA-N 2 0 302.462 2.648 20 0 DFADRP COC[C@H]([NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]12)C1CC1 ZINC000248418025 158174650 /nfs/dbraw/zinc/17/46/50/158174650.db2.gz SAEUNOXVGQXAMS-WTGUMLROSA-N 2 0 314.473 2.912 20 0 DFADRP O[C@@H]1CCCC[C@H]1[NH2+][C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000248583121 158185934 /nfs/dbraw/zinc/18/59/34/158185934.db2.gz WOBKMHWOVIVDIS-CENDIDJXSA-N 2 0 314.473 2.790 20 0 DFADRP C[C@H](C1CCC1)[N@H+](C)CC(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000355067701 158265440 /nfs/dbraw/zinc/26/54/40/158265440.db2.gz YBHHTWDDCLYDAF-CRAIPNDOSA-N 2 0 317.477 2.526 20 0 DFADRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H](C)[C@@H]2CCCOC2)[C@@H](C)C1 ZINC000356846027 158314381 /nfs/dbraw/zinc/31/43/81/158314381.db2.gz IZQACEMONWMCQD-MLHJIOFPSA-N 2 0 312.498 2.528 20 0 DFADRP C[C@H](CO)CCC[NH2+][C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000356903799 158320285 /nfs/dbraw/zinc/32/02/85/158320285.db2.gz SONKGLHPQQFVMW-FRYIKTPZSA-N 2 0 316.489 2.895 20 0 DFADRP C[N@H+](CCC1CCN(c2cc[nH+]cc2)CC1)CC1(O)CCCC1 ZINC000357008363 158346081 /nfs/dbraw/zinc/34/60/81/158346081.db2.gz FUUNZJUBSPAWOW-UHFFFAOYSA-N 2 0 317.477 2.925 20 0 DFADRP COc1ccc(OC)c(C[NH+]2CCC([C@@H]3CC[NH2+]C3)CC2)c1 ZINC000357039908 158354991 /nfs/dbraw/zinc/35/49/91/158354991.db2.gz BHUYQEZENCFPIF-OAHLLOKOSA-N 2 0 304.434 2.525 20 0 DFADRP O=c1[nH]c2ccccc2cc1C[NH+]1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000357043646 158355474 /nfs/dbraw/zinc/35/54/74/158355474.db2.gz GTQHORHUEDTVEW-INIZCTEOSA-N 2 0 311.429 2.762 20 0 DFADRP COCCOc1cccc(C[NH+]2CCC([C@H]3CC[NH2+]C3)CC2)c1 ZINC000357054502 158358173 /nfs/dbraw/zinc/35/81/73/158358173.db2.gz QFESZGKWXIYHHN-SFHVURJKSA-N 2 0 318.461 2.533 20 0 DFADRP CC[N@H+](CCC1CC[NH+](CCn2cccn2)CC1)CC1CC1 ZINC000357086691 158362478 /nfs/dbraw/zinc/36/24/78/158362478.db2.gz PGUGLZYWEIJDJZ-UHFFFAOYSA-N 2 0 304.482 2.717 20 0 DFADRP COCCCOc1cccc(C[NH2+][C@@H]2CC[N@H+](C)C[C@H]2C)c1 ZINC000358343433 158370750 /nfs/dbraw/zinc/37/07/50/158370750.db2.gz HVPFQBWEKOSUAF-CRAIPNDOSA-N 2 0 306.450 2.532 20 0 DFADRP CC(C)(C)[NH+]1CCC([NH2+]CCc2c[nH]c3ncccc23)CC1 ZINC000358343131 158371340 /nfs/dbraw/zinc/37/13/40/158371340.db2.gz RLXAJHMDMYDLQI-UHFFFAOYSA-N 2 0 300.450 2.958 20 0 DFADRP C[C@@H](NC(=O)[C@@H](C)[NH+]1CCC(C[NH3+])CC1)c1ccc(Cl)cc1 ZINC000430636627 296801581 /nfs/dbraw/zinc/80/15/81/296801581.db2.gz YYFXQKQXBNUGBE-CHWSQXEVSA-N 2 0 323.868 2.576 20 0 DFADRP CCN(C(=O)[C@@H](C)[NH+]1CCC2(CC[NH2+]C2)CC1)c1ccccc1 ZINC000431034850 296818681 /nfs/dbraw/zinc/81/86/81/296818681.db2.gz PBIPMXKPGVJXJE-MRXNPFEDSA-N 2 0 315.461 2.504 20 0 DFADRP CC(C)C[C@H](C[NH+](C)C)NC(=O)C[C@@H](c1ccccc1)[NH+](C)C ZINC000431852196 296853066 /nfs/dbraw/zinc/85/30/66/296853066.db2.gz VHUQFBILYKHGBM-MSOLQXFVSA-N 2 0 319.493 2.772 20 0 DFADRP COc1ccc(O[C@H](C)C[NH2+][C@@H]2C[C@@H](C)[N@H+](C)C[C@H]2C)cc1 ZINC000129016512 196012285 /nfs/dbraw/zinc/01/22/85/196012285.db2.gz UPTUBLZILRVHAD-ATNYBXOESA-N 2 0 306.450 2.781 20 0 DFADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]Cc1cccc(Cn2cccn2)c1 ZINC000129424160 196048075 /nfs/dbraw/zinc/04/80/75/196048075.db2.gz WUEOXTLZICTLSJ-MDZRGWNJSA-N 2 0 312.461 2.750 20 0 DFADRP COc1cccc(OCC[N@@H+]2CC[C@H](C)[C@@H](n3ccnc3)C2)c1 ZINC000129593041 196060687 /nfs/dbraw/zinc/06/06/87/196060687.db2.gz WSIWOOWBZWUVPJ-YJBOKZPZSA-N 2 0 315.417 2.854 20 0 DFADRP C[C@H](C[NH2+]Cc1c[nH]nc1-c1cccnc1)C[NH+]1CCCCC1 ZINC000054041307 425889011 /nfs/dbraw/zinc/88/90/11/425889011.db2.gz OJGNOHZBJHAEIJ-OAHLLOKOSA-N 2 0 313.449 2.683 20 0 DFADRP C[C@@H]1CCCC[N@@H+]1CCC1CC[NH+](CCn2ccnc2)CC1 ZINC000131735338 196195258 /nfs/dbraw/zinc/19/52/58/196195258.db2.gz HVQZDHCHKVDBNC-QGZVFWFLSA-N 2 0 304.482 2.860 20 0 DFADRP COc1cc(C[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@H+]3C)cc(OC)c1 ZINC000131777159 196198581 /nfs/dbraw/zinc/19/85/81/196198581.db2.gz UTFGQTFWFPFEEZ-MQVJKMGUSA-N 2 0 304.434 2.809 20 0 DFADRP CC(C)[C@H](C[NH2+][C@H](C)c1ccccc1F)N1CC[NH+](C)CC1 ZINC000132322060 196245468 /nfs/dbraw/zinc/24/54/68/196245468.db2.gz QFBNIOUWLVMMDR-QAPCUYQASA-N 2 0 307.457 2.748 20 0 DFADRP CC(C)[C@@H](C[NH2+][C@@H](C)c1ccc(F)cc1)N1CC[NH+](C)CC1 ZINC000132325494 196246180 /nfs/dbraw/zinc/24/61/80/196246180.db2.gz XVVUEYCMWSLPIT-MAUKXSAKSA-N 2 0 307.457 2.748 20 0 DFADRP CC[N@@H+]1CC[C@H](N[C@@H]2C[C@H](C)[NH+](Cc3ccccc3)C2)[C@H](C)C1 ZINC000132977252 196301115 /nfs/dbraw/zinc/30/11/15/196301115.db2.gz NZHWDEOMENFHDE-BWPNAZKDSA-N 2 0 315.505 2.969 20 0 DFADRP COc1ccccc1N1CC[C@@H](C[NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)C1 ZINC000133261135 196325558 /nfs/dbraw/zinc/32/55/58/196325558.db2.gz RDXPZZADBCRWDS-IXDOHACOSA-N 2 0 317.477 2.594 20 0 DFADRP C[C@H](C[NH2+]CC1CC[NH+](CCN(C)C)CC1)Cc1ccccc1 ZINC000133898981 196344212 /nfs/dbraw/zinc/34/42/12/196344212.db2.gz NRJJWKDKKQNUDC-SFHVURJKSA-N 2 0 317.521 2.728 20 0 DFADRP CN(Cc1cnc2n1CCC2)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000667531855 543623499 /nfs/dbraw/zinc/62/34/99/543623499.db2.gz SFSPAHJHDGRBML-SFHVURJKSA-N 2 0 324.472 2.926 20 0 DFADRP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(Cc2cnn3c2CCC3)C1 ZINC000667561237 543631022 /nfs/dbraw/zinc/63/10/22/543631022.db2.gz PRVFFXBSNCBFRL-IAGOWNOFSA-N 2 0 316.493 2.916 20 0 DFADRP c1nn2c(c1C[NH+]1CCC(C[NH+]3CCCCCC3)CC1)CCC2 ZINC000667501657 543619432 /nfs/dbraw/zinc/61/94/32/543619432.db2.gz FYAJETBJUWWPBT-UHFFFAOYSA-N 2 0 316.493 2.917 20 0 DFADRP C[NH+](C)CCCOc1ccc(C[NH2+][C@@H]2CO[C@H](C3CC3)C2)cc1 ZINC000667834679 543688911 /nfs/dbraw/zinc/68/89/11/543688911.db2.gz ZMLCSQOSYKKVGJ-HKUYNNGSSA-N 2 0 318.461 2.674 20 0 DFADRP C[NH+](C)C[C@H](NC(=O)Nc1ccc2c(c1)C[NH2+]C2)c1ccccc1 ZINC000667852545 543692636 /nfs/dbraw/zinc/69/26/36/543692636.db2.gz NHSVBQYRRMBVEU-SFHVURJKSA-N 2 0 324.428 2.714 20 0 DFADRP [NH3+]Cc1cccc(NC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000667732583 543669328 /nfs/dbraw/zinc/66/93/28/543669328.db2.gz OCOBLTQXCWCOSE-GOSISDBHSA-N 2 0 324.428 2.541 20 0 DFADRP C[C@@H](CCNC(=O)Nc1cccc(C[NH3+])c1)[NH+]1CCCCC1 ZINC000667736553 543670266 /nfs/dbraw/zinc/67/02/66/543670266.db2.gz IFXIJKALQQCBAE-AWEZNQCLSA-N 2 0 304.438 2.531 20 0 DFADRP CN(Cc1cc(F)ccc1OC(F)F)C[C@H]1CC[N@H+](C)C1 ZINC000668020492 543724961 /nfs/dbraw/zinc/72/49/61/543724961.db2.gz MWKTTYFVPIWPNK-NSHDSACASA-N 2 0 302.340 2.811 20 0 DFADRP c1cc(C[N@@H+]2CC3(CCOCC3)[C@H]2C2CC2)n(-c2cc[nH+]cc2)n1 ZINC000668195478 543764756 /nfs/dbraw/zinc/76/47/56/543764756.db2.gz KHOFPOCLEVBOGM-GOSISDBHSA-N 2 0 324.428 2.658 20 0 DFADRP CO[C@@H]1C[C@@H]([N@H+](C)Cc2ccnn2-c2cc[nH+]cc2)C12CCC2 ZINC000668225024 543771516 /nfs/dbraw/zinc/77/15/16/543771516.db2.gz CFZRGSCTYUZRLS-IAGOWNOFSA-N 2 0 312.417 2.657 20 0 DFADRP COCCOc1ccc([C@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc1 ZINC000295932669 225392505 /nfs/dbraw/zinc/39/25/05/225392505.db2.gz KYETUXIMWLQLPP-MIGBEJBISA-N 2 0 318.461 2.988 20 0 DFADRP CC(C)(C)N1CC[C@@H]1C[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000668432822 543805633 /nfs/dbraw/zinc/80/56/33/543805633.db2.gz YOQCMDPMMPWHIX-QGZVFWFLSA-N 2 0 302.466 2.513 20 0 DFADRP C[NH+](C)CCOc1ccc(C[N@@H+]2CCO[C@](C)(C3CC3)C2)cc1 ZINC000668462439 543810274 /nfs/dbraw/zinc/81/02/74/543810274.db2.gz GEFWFJQUKSZIPG-IBGZPJMESA-N 2 0 318.461 2.628 20 0 DFADRP C[C@H](CC[NH+]1CCC([N@@H+]2CC[C@@H](O)C2)CC1)c1ccccc1 ZINC000668740597 543859251 /nfs/dbraw/zinc/85/92/51/543859251.db2.gz WCMXOOCIMLYKHE-VQIMIIECSA-N 2 0 302.462 2.711 20 0 DFADRP C[NH+](C)CCC[C@@H]1C[N@H+](Cc2cccc3c2CCC3)CCO1 ZINC000668787261 543867347 /nfs/dbraw/zinc/86/73/47/543867347.db2.gz QLAJOAKNSNGBBQ-GOSISDBHSA-N 2 0 302.462 2.718 20 0 DFADRP COc1c(C)cc(CN2CCO[C@@H](CCC[NH+](C)C)C2)cc1C ZINC000668785919 543867935 /nfs/dbraw/zinc/86/79/35/543867935.db2.gz QVSYHBDBUGBWLH-SFHVURJKSA-N 2 0 320.477 2.855 20 0 DFADRP C[N@@H+]1CCN(CC[NH2+][C@@H]2CCc3c2cc(F)cc3F)CC1(C)C ZINC000669618826 543976345 /nfs/dbraw/zinc/97/63/45/543976345.db2.gz BHFCBGOJBFZTHL-QGZVFWFLSA-N 2 0 323.431 2.568 20 0 DFADRP CCC[C@H]([NH2+][C@@H]1CCN(C2CC[NH+](C)CC2)C1)[C@H]1CC1(C)C ZINC000669418983 543943578 /nfs/dbraw/zinc/94/35/78/543943578.db2.gz PNAUDHHMXYSPFB-NXHRZFHOSA-N 2 0 307.526 2.959 20 0 DFADRP [NH3+]CC1(CC(=O)N2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)CCCCC1 ZINC000669519613 543959475 /nfs/dbraw/zinc/95/94/75/543959475.db2.gz KOLRRUXKWLOPLZ-IAGOWNOFSA-N 2 0 321.509 2.524 20 0 DFADRP CCc1nc2ccccc2n1CC[NH2+][C@H](C)c1cc(C)n(C)n1 ZINC000669702333 543986264 /nfs/dbraw/zinc/98/62/64/543986264.db2.gz NOZNVVFJWFCSQO-CQSZACIVSA-N 2 0 311.433 2.991 20 0 DFADRP C[NH+](C)CCOc1ccc(C[N@@H+]2CC[C@]3(C2)CCCOC3)cc1 ZINC000671312879 544067223 /nfs/dbraw/zinc/06/72/23/544067223.db2.gz XZJFHMYJNLLKAW-IBGZPJMESA-N 2 0 318.461 2.630 20 0 DFADRP C[NH+]1CCN(C(C)(C)C[NH2+]C/C=C\c2ccc(F)c(F)c2)CC1 ZINC000671706806 544099919 /nfs/dbraw/zinc/09/99/19/544099919.db2.gz FXBKHFPOOHMDOG-PLNGDYQASA-N 2 0 323.431 2.594 20 0 DFADRP Cc1cccn2cc(CC[NH2+][C@@H]3CC[N@@H+](C)[C@@H]4CCC[C@@H]43)nc12 ZINC000671749732 544106332 /nfs/dbraw/zinc/10/63/32/544106332.db2.gz MLBFNGALCRPXSN-KZNAEPCWSA-N 2 0 312.461 2.648 20 0 DFADRP C[C@H](C[NH2+][C@H](C)c1ccc2[nH]c(=O)oc2c1)C[NH+]1CCCC1 ZINC000671741790 544105344 /nfs/dbraw/zinc/10/53/44/544105344.db2.gz DSVMHSZTMKORRK-CHWSQXEVSA-N 2 0 303.406 2.916 20 0 DFADRP COc1nc(C)cc(C)c1C[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@@H]21 ZINC000671745715 544105740 /nfs/dbraw/zinc/10/57/40/544105740.db2.gz RUZCHVQOFBCMIF-DJIMGWMZSA-N 2 0 303.450 2.669 20 0 DFADRP C[C@@]1(C[NH2+]C2CCN(c3cc[nH+]cc3)CC2)CCCC[C@H]1O ZINC000297322967 227008709 /nfs/dbraw/zinc/00/87/09/227008709.db2.gz CKQGJRRFLNAALX-MSOLQXFVSA-N 2 0 303.450 2.581 20 0 DFADRP C[NH+](C)[C@@H]1CCCN([C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000297364879 227070701 /nfs/dbraw/zinc/07/07/01/227070701.db2.gz GBLCUMWIIFHJSO-RTBURBONSA-N 2 0 301.478 2.677 20 0 DFADRP CC[N@@H+]1CC[C@@H]([NH+](C)CCOCc2ccc(OC)cc2)[C@@H](C)C1 ZINC000673716205 544193507 /nfs/dbraw/zinc/19/35/07/544193507.db2.gz SCNQIQBNJGUHES-QFBILLFUSA-N 2 0 320.477 2.874 20 0 DFADRP CC[NH+](CC)CCO[C@H]1CC[N@H+](Cc2cccc(N(C)C)c2)C1 ZINC000673757102 544196406 /nfs/dbraw/zinc/19/64/06/544196406.db2.gz MISYAAXSDOECJT-IBGZPJMESA-N 2 0 319.493 2.685 20 0 DFADRP OC[C@@H]1CCC[N@@H+]1CCCC[NH2+][C@H]1CCCc2c(O)cccc21 ZINC000291226198 222239276 /nfs/dbraw/zinc/23/92/76/222239276.db2.gz NVFLBYODCJMKMV-YJBOKZPZSA-N 2 0 318.461 2.596 20 0 DFADRP Cn1cncc1C[N@@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000291403985 222369980 /nfs/dbraw/zinc/36/99/80/222369980.db2.gz FJVYRAGXHHSYRG-UHFFFAOYSA-N 2 0 324.472 2.908 20 0 DFADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)[C@@H](C)C1CCCC1 ZINC000674087753 544219098 /nfs/dbraw/zinc/21/90/98/544219098.db2.gz AIUKIBXDWMCJSM-WMZOPIPTSA-N 2 0 323.525 2.687 20 0 DFADRP C[C@@H](C(=O)Nc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1)[NH+](C)C ZINC000674245447 544226285 /nfs/dbraw/zinc/22/62/85/544226285.db2.gz MUIFOMVZROCKSC-CABCVRRESA-N 2 0 303.450 2.807 20 0 DFADRP CC[N@@H+]1CC[C@@H]([NH2+]CCN2CCCc3ccccc32)[C@H](C)C1 ZINC000675783279 544336033 /nfs/dbraw/zinc/33/60/33/544336033.db2.gz FPQXJAIKCJIYSW-SJLPKXTDSA-N 2 0 301.478 2.759 20 0 DFADRP CCC[NH+]1CCC([NH2+]CCN2CCCc3ccccc32)CC1 ZINC000675784190 544336248 /nfs/dbraw/zinc/33/62/48/544336248.db2.gz VRNFBJOQMMCCAZ-UHFFFAOYSA-N 2 0 301.478 2.903 20 0 DFADRP C[NH+](C)CCOc1ccc(C[NH2+][C@@H]2CCCc3cn[nH]c32)cc1 ZINC000675766404 544334364 /nfs/dbraw/zinc/33/43/64/544334364.db2.gz KRKSMCXUWHEZAO-QGZVFWFLSA-N 2 0 314.433 2.517 20 0 DFADRP O[C@H](C[NH2+][C@H](CC1CC1)c1ccccc1)C[NH+]1CCCCC1 ZINC000675768312 544335003 /nfs/dbraw/zinc/33/50/03/544335003.db2.gz ZZNHEYYMMZKJSG-RTBURBONSA-N 2 0 302.462 2.964 20 0 DFADRP CCC[NH+]1CCC([NH2+]C[C@H](C)N2CCc3ccccc32)CC1 ZINC000675776670 544335377 /nfs/dbraw/zinc/33/53/77/544335377.db2.gz VMTMKFCPFRWKNX-INIZCTEOSA-N 2 0 301.478 2.902 20 0 DFADRP CC[C@H](Cc1cccs1)[NH2+]CCCN1CCC[N@H+](C)CC1 ZINC000675821686 544338987 /nfs/dbraw/zinc/33/89/87/544338987.db2.gz LOPANYMUHPKYID-MRXNPFEDSA-N 2 0 309.523 2.686 20 0 DFADRP Cc1cccc2c1CC[C@H]2[NH2+][C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000675869804 544340979 /nfs/dbraw/zinc/34/09/79/544340979.db2.gz AVFJSEVTWAPKJA-OXJNMPFZSA-N 2 0 313.489 2.740 20 0 DFADRP C[NH+]1CCC(N2CC[C@H]([NH2+]C3C4CC5CC(C4)CC3C5)C2)CC1 ZINC000675871244 544341282 /nfs/dbraw/zinc/34/12/82/544341282.db2.gz JRJWDYNWSYFUCT-RJFAQORQSA-N 2 0 317.521 2.569 20 0 DFADRP C[C@@H]([NH2+]CCc1ccn(-c2ccccc2)n1)C1CC[NH+](C)CC1 ZINC000675800685 544337302 /nfs/dbraw/zinc/33/73/02/544337302.db2.gz VYJDDPFMBVGLCE-MRXNPFEDSA-N 2 0 312.461 2.735 20 0 DFADRP COc1ccc2c(c1)OCC[C@H]2[NH2+][C@H](C)C1CC[NH+](C)CC1 ZINC000675904203 544343293 /nfs/dbraw/zinc/34/32/93/544343293.db2.gz TVZRQRCXLKPTIU-CXAGYDPISA-N 2 0 304.434 2.839 20 0 DFADRP CC[C@H]1CN(C(=O)C(C)C)CC[C@H]1[NH2+]C1CC[NH+](C(C)C)CC1 ZINC000675915801 544344113 /nfs/dbraw/zinc/34/41/13/544344113.db2.gz ADJFBYLLSBKVJT-FUHWJXTLSA-N 2 0 323.525 2.732 20 0 DFADRP CC(=O)Nc1cccc(C[NH+]2CCC[C@@H]3C[N@H+](C)CC[C@H]32)c1 ZINC000676222403 544364531 /nfs/dbraw/zinc/36/45/31/544364531.db2.gz MSOGLSIAJLPTEM-SJLPKXTDSA-N 2 0 301.434 2.561 20 0 DFADRP COc1ccccc1OCCC[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000677242385 544458050 /nfs/dbraw/zinc/45/80/50/544458050.db2.gz ZMNZEIIKKAAOJE-JKSUJKDBSA-N 2 0 304.434 2.681 20 0 DFADRP C[C@@H](CC[NH+](C)C)N[C@@H]1C[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC000677804315 544543902 /nfs/dbraw/zinc/54/39/02/544543902.db2.gz FBHQKDFGUGHOAP-WMZOPIPTSA-N 2 0 303.494 2.969 20 0 DFADRP C[NH+]1CCC(N2CC[C@H]([NH2+]C[C@H]3C[C@H]3c3ccccc3)C2)CC1 ZINC000678074872 544594519 /nfs/dbraw/zinc/59/45/19/544594519.db2.gz UAJVCSAMOWHPOQ-HBFSDRIKSA-N 2 0 313.489 2.548 20 0 DFADRP C[N@@H+]1CCC[C@@H]1CC[NH+]1CCC(CC(=O)NC2CCCC2)CC1 ZINC000678072982 544594708 /nfs/dbraw/zinc/59/47/08/544594708.db2.gz HFHUKJQLIOKHSE-GOSISDBHSA-N 2 0 321.509 2.632 20 0 DFADRP C[N@@H+]1CCC[C@@H](N2CC[NH+](C[C@@H]3CCCC(C)(C)C3)CC2)C1 ZINC000678259011 544635151 /nfs/dbraw/zinc/63/51/51/544635151.db2.gz VRCNWWVKPMDVIC-QZTJIDSGSA-N 2 0 307.526 2.915 20 0 DFADRP C[N@@H+]1CCC[C@H](N2CC[NH+](Cc3ccccc3C3CC3)CC2)C1 ZINC000678258862 544635452 /nfs/dbraw/zinc/63/54/52/544635452.db2.gz PWXNAKORXWJBJF-IBGZPJMESA-N 2 0 313.489 2.776 20 0 DFADRP C[NH+]1CCN(C(C)(C)C[NH2+][C@H]2CCCc3cc(F)ccc32)CC1 ZINC000678765982 544717071 /nfs/dbraw/zinc/71/70/71/544717071.db2.gz CBIDYZJXSTWUPT-SFHVURJKSA-N 2 0 319.468 2.819 20 0 DFADRP C[C@@H]1CCc2ccccc2[C@H]1[NH2+]C1CCN(CC[NH+](C)C)CC1 ZINC000678766391 544717079 /nfs/dbraw/zinc/71/70/79/544717079.db2.gz KEURWASJSHSTQA-UZLBHIALSA-N 2 0 315.505 2.926 20 0 DFADRP C[C@@H]1CCc2ccccc2[C@H]1[NH2+]CCCN1CCC[N@H+](C)CC1 ZINC000678768614 544718374 /nfs/dbraw/zinc/71/83/74/544718374.db2.gz DHOPXEIFLXJQQV-XLIONFOSSA-N 2 0 315.505 2.927 20 0 DFADRP C[C@@H](C[NH2+]CC(C)(C)N1CC[NH+](C)CC1)c1ccc(F)cc1 ZINC000678947324 544754921 /nfs/dbraw/zinc/75/49/21/544754921.db2.gz SEDQRDQFRQLCFS-HNNXBMFYSA-N 2 0 307.457 2.545 20 0 DFADRP CCc1nc2ccccc2n1CC[NH2+]C1CC[NH+](CC)CC1 ZINC000679024115 544769461 /nfs/dbraw/zinc/76/94/61/544769461.db2.gz YNJNGPVJPPKJQD-UHFFFAOYSA-N 2 0 300.450 2.673 20 0 DFADRP CCN1C[C@H](C)[C@H]([NH2+][C@@H](C)c2ccc(OCC[NH+](C)C)cc2)C1 ZINC000679075296 544779683 /nfs/dbraw/zinc/77/96/83/544779683.db2.gz IIGAJHWFYFHXSX-TXPKVOOTSA-N 2 0 319.493 2.618 20 0 DFADRP Cc1ccc(N[C@H]2CC[N@H+](C)[C@@H](C)C2)c(OCC[NH+](C)C)c1 ZINC000679148939 544792618 /nfs/dbraw/zinc/79/26/18/544792618.db2.gz WGFGIRUZRNKDSP-HOTGVXAUSA-N 2 0 305.466 2.830 20 0 DFADRP C[C@@H](CCCCO)[NH2+]Cc1cccc(CN2CCO[C@@H](C)C2)c1 ZINC000679336520 544836688 /nfs/dbraw/zinc/83/66/88/544836688.db2.gz WYOMEOIIPGORKI-IRXDYDNUSA-N 2 0 320.477 2.548 20 0 DFADRP C[NH+]1CCN(CCC[NH2+][C@H](c2ccccc2)C2CCC2)CC1 ZINC000679420468 544852402 /nfs/dbraw/zinc/85/24/02/544852402.db2.gz LEVZGLFTQQOJLL-LJQANCHMSA-N 2 0 301.478 2.755 20 0 DFADRP COc1ccc2c(c1)CC[C@H]([NH2+][C@H](C)C1CC[NH+](C)CC1)C2 ZINC000680351980 544995528 /nfs/dbraw/zinc/99/55/28/544995528.db2.gz IMUHCODBBVUKPD-KDOFPFPSSA-N 2 0 302.462 2.872 20 0 DFADRP CC[NH+](CC)CC(=O)NC[C@H](c1ccccc1)[NH+](CC)CC ZINC000063662465 425900757 /nfs/dbraw/zinc/90/07/57/425900757.db2.gz PCUKQCNFQIIEGN-QGZVFWFLSA-N 2 0 305.466 2.528 20 0 DFADRP C[C@H]1C[NH+](CCCC[NH2+]Cc2cc(F)ccc2F)C[C@H](C)O1 ZINC000067452670 425910764 /nfs/dbraw/zinc/91/07/64/425910764.db2.gz PUORNFMCLZJNGV-KBPBESRZSA-N 2 0 312.404 2.944 20 0 DFADRP CCC[NH+]1CCC(N2CC[NH+](C[C@@H]3CC=CCC3)CC2)CC1 ZINC000124454126 425920591 /nfs/dbraw/zinc/92/05/91/425920591.db2.gz DBUSIPPXWJEHKQ-GOSISDBHSA-N 2 0 305.510 2.835 20 0 DFADRP CC[NH+]1CCN([C@H](C)C[NH2+][C@H]2CCc3c2cccc3C)CC1 ZINC000155586934 425921543 /nfs/dbraw/zinc/92/15/43/425921543.db2.gz PYFRMUCQJBCHBF-APWZRJJASA-N 2 0 301.478 2.598 20 0 DFADRP CC[NH+]1CCN([C@@H](C)C[NH2+][C@@H](C)c2cc(C)ccc2OC)CC1 ZINC000155638555 425923220 /nfs/dbraw/zinc/92/32/20/425923220.db2.gz SPVUDEIHAQMUCA-IRXDYDNUSA-N 2 0 319.493 2.680 20 0 DFADRP CC[NH+]1CCN([C@H](C)C[NH2+][C@H](C)c2cc3c(s2)CCC3)CC1 ZINC000155660389 425923571 /nfs/dbraw/zinc/92/35/71/425923571.db2.gz CDAPATUMPKPXDP-HUUCEWRRSA-N 2 0 321.534 2.913 20 0 DFADRP CC(C)N(C)CC[NH2+][C@@H](C)c1cccc(OCC[NH+](C)C)c1 ZINC000155751562 425926630 /nfs/dbraw/zinc/92/66/30/425926630.db2.gz KOWGBHYYZDUFTJ-INIZCTEOSA-N 2 0 307.482 2.618 20 0 DFADRP Cc1ccc(CC[N@@H+](C)CC2CC[NH+](C[C@H](C)O)CC2)cc1 ZINC000124610526 425929143 /nfs/dbraw/zinc/92/91/43/425929143.db2.gz YPCFVVYLKLQLCW-KRWDZBQOSA-N 2 0 304.478 2.562 20 0 DFADRP C[C@H](CCN[C@@H]1CC[N@H+](C)[C@H](C)C1)[NH+](C)Cc1ccccc1 ZINC000156196060 425933140 /nfs/dbraw/zinc/93/31/40/425933140.db2.gz JCHQXSFIESPDGQ-ZHALLVOQSA-N 2 0 303.494 2.969 20 0 DFADRP CCC[NH+](CCC)CCCC(=O)N[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC000177564377 267647499 /nfs/dbraw/zinc/64/74/99/267647499.db2.gz ULUXNVQUTXKBHK-IRXDYDNUSA-N 2 0 311.514 2.878 20 0 DFADRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+]Cc1coc2ccccc12 ZINC000185870787 267804377 /nfs/dbraw/zinc/80/43/77/267804377.db2.gz LMUCZSQOXWGLTI-OAHLLOKOSA-N 2 0 301.434 2.548 20 0 DFADRP C[C@H](C[NH2+][C@@H](C)c1csc(Cl)c1)CN1CC[NH+](C)CC1 ZINC000191265083 267994745 /nfs/dbraw/zinc/99/47/45/267994745.db2.gz PVLBSGXOOOPQOC-OLZOCXBDSA-N 2 0 315.914 2.936 20 0 DFADRP C[NH+](C)[C@H](CNC(=O)C[NH2+][C@H]1CCCC1(C)C)c1ccccc1 ZINC000191852486 268016988 /nfs/dbraw/zinc/01/69/88/268016988.db2.gz MQKUJQSHVGOYTC-SJORKVTESA-N 2 0 317.477 2.574 20 0 DFADRP COC(=O)C1CCC([NH2+][C@@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)CC1 ZINC000192447614 268036641 /nfs/dbraw/zinc/03/66/41/268036641.db2.gz HOAWIOJSNXMQNK-SOEBMCCKSA-N 2 0 322.493 2.961 20 0 DFADRP COc1cccc2c1CC[C@@H]([NH2+]C[C@@H](C)C[NH+]1CCCC1)C2 ZINC000192439644 268037296 /nfs/dbraw/zinc/03/72/96/268037296.db2.gz FOHGIORUVSSXPL-NVXWUHKLSA-N 2 0 302.462 2.874 20 0 DFADRP Cc1nn(C)cc1[C@@H](C)[NH2+]C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000195136876 268127805 /nfs/dbraw/zinc/12/78/05/268127805.db2.gz MAQAEAMHKDQRFM-CRAIPNDOSA-N 2 0 312.461 2.901 20 0 DFADRP C[NH+](C)Cc1ccc(C(=O)NC2CC[NH+](C(C)(C)C)CC2)cc1 ZINC000195483236 268136486 /nfs/dbraw/zinc/13/64/86/268136486.db2.gz VEVAVKGHXGQKLY-UHFFFAOYSA-N 2 0 317.477 2.741 20 0 DFADRP C[N@H+](CC[C@@H]1CC[NH2+]C1)Cc1ccc(Br)s1 ZINC000258878347 268168520 /nfs/dbraw/zinc/16/85/20/268168520.db2.gz BIEYCJJBIMTAQI-JTQLQIEISA-N 2 0 303.269 2.942 20 0 DFADRP C[NH+](C)[C@H](CNC(=O)[C@@H]1CCCCCC[C@@H]1[NH3+])c1cccs1 ZINC000237194733 268155134 /nfs/dbraw/zinc/15/51/34/268155134.db2.gz VNFQKMYQGWSVTA-QLFBSQMISA-N 2 0 323.506 2.765 20 0 DFADRP C[C@@H]1C[N@H+](CC(C)(C)C[NH+](C)Cc2ccccc2)CC[C@H]1O ZINC000250123769 268168245 /nfs/dbraw/zinc/16/82/45/268168245.db2.gz VXMSVTMMXLLFKO-SJLPKXTDSA-N 2 0 304.478 2.847 20 0 DFADRP CCc1cccc(CC)c1NC(=O)[C@H](C)[NH+]1CCC(C[NH3+])CC1 ZINC000260694613 268168736 /nfs/dbraw/zinc/16/87/36/268168736.db2.gz ZNYRWOVHFRYLHE-AWEZNQCLSA-N 2 0 317.477 2.809 20 0 DFADRP COc1cccc(N2CC[C@H]([NH2+][C@@H]3C[C@@H](C)[N@H+](C)C[C@@H]3C)C2)c1 ZINC000268867556 268186455 /nfs/dbraw/zinc/18/64/55/268186455.db2.gz TUYLKPJCRZLQJU-CYJAXWMASA-N 2 0 317.477 2.592 20 0 DFADRP CC(C)[NH+]1CCN(C2CC[NH+]([C@H](C)c3cccnc3)CC2)CC1 ZINC000270946896 268239253 /nfs/dbraw/zinc/23/92/53/268239253.db2.gz SCHVVKVYXAMSLE-QGZVFWFLSA-N 2 0 316.493 2.633 20 0 DFADRP CC[N@@H+]1CC[C@@H](C[NH2+][C@@H](C)CCCNC(=O)OC(C)(C)C)C1 ZINC000309976208 268336603 /nfs/dbraw/zinc/33/66/03/268336603.db2.gz RGTPIFVWAXCUBD-GJZGRUSLSA-N 2 0 313.486 2.611 20 0 DFADRP CC1(C)COC[C@@H]1[NH2+][C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000313123470 268338836 /nfs/dbraw/zinc/33/88/36/268338836.db2.gz STKYGTLNMPQHDT-MANSERQUSA-N 2 0 314.473 2.912 20 0 DFADRP CC1(C)COC[C@@H]1[NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]12 ZINC000313123467 268339270 /nfs/dbraw/zinc/33/92/70/268339270.db2.gz STKYGTLNMPQHDT-HCXYKTFWSA-N 2 0 314.473 2.912 20 0 DFADRP Cn1cnc(CC[NH2+]Cc2cc(Br)cs2)c1 ZINC000313283835 268339768 /nfs/dbraw/zinc/33/97/68/268339768.db2.gz QDRRXXYIMWQKKS-UHFFFAOYSA-N 2 0 300.225 2.576 20 0 DFADRP Cn1cnc(CC[NH2+]Cc2ccc(Br)s2)c1 ZINC000313248704 268339868 /nfs/dbraw/zinc/33/98/68/268339868.db2.gz GAKAREBBSCDQDF-UHFFFAOYSA-N 2 0 300.225 2.576 20 0 DFADRP Cc1nn2c(CN3CC[C@H](C)[C@H](C[NH3+])C3)c(C(C)C)nc2s1 ZINC000333112628 268375497 /nfs/dbraw/zinc/37/54/97/268375497.db2.gz GTSTZWDIUBWJGQ-WCQYABFASA-N 2 0 321.494 2.639 20 0 DFADRP COCCCCC[NH+]1CCC(C[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000103227875 425939349 /nfs/dbraw/zinc/93/93/49/425939349.db2.gz SXBAGRXMKHFQMR-IRXDYDNUSA-N 2 0 312.498 2.624 20 0 DFADRP CCc1cc(N2CC[NH+]([C@H](CC)CO)CC2)c2ccccc2[nH+]1 ZINC000125628534 425982399 /nfs/dbraw/zinc/98/23/99/425982399.db2.gz AIRHTSVZDVJCHD-MRXNPFEDSA-N 2 0 313.445 2.690 20 0 DFADRP CCCCN(CCCC)C(=O)CN1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000158525177 425943786 /nfs/dbraw/zinc/94/37/86/425943786.db2.gz DNMUHMIAJRQLHX-MSOLQXFVSA-N 2 0 323.525 2.831 20 0 DFADRP CCCCNC(=O)[C@@H]1CC[C@@H](C)[N@H+](CCC[NH+]2CCCCC2)C1 ZINC000125005803 425949313 /nfs/dbraw/zinc/94/93/13/425949313.db2.gz UGLVYIRWNYVDOH-QZTJIDSGSA-N 2 0 323.525 2.879 20 0 DFADRP CC[C@H](C(=O)Nc1cccc(C[NH+]2CCSCC2)c1)[NH+](C)C ZINC000125008839 425949853 /nfs/dbraw/zinc/94/98/53/425949853.db2.gz VTFXRSZHHBVERL-MRXNPFEDSA-N 2 0 321.490 2.514 20 0 DFADRP CC[NH+]1CCC(N(C)Cc2cc(OC)cc3c2O[C@H](C)C3)CC1 ZINC000125199513 425959267 /nfs/dbraw/zinc/95/92/67/425959267.db2.gz WARGQZLYOUXOHB-CQSZACIVSA-N 2 0 318.461 2.935 20 0 DFADRP Cc1c(Cl)cccc1NC(=O)C[N@@H+]1CCC[C@H](CC[NH3+])C1 ZINC000070170726 425968651 /nfs/dbraw/zinc/96/86/51/425968651.db2.gz FLTGGHZDDHXBCS-CYBMUJFWSA-N 2 0 309.841 2.648 20 0 DFADRP C[N@@H+]1CCC[C@@H]1CCN1CCN(Cc2ccccc2Cl)CC1 ZINC000125559879 425979047 /nfs/dbraw/zinc/97/90/47/425979047.db2.gz OVUZDRCWQZEYHF-QGZVFWFLSA-N 2 0 321.896 2.942 20 0 DFADRP COCC[C@H](C)[NH2+][C@@H](C)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000126751624 426035625 /nfs/dbraw/zinc/03/56/25/426035625.db2.gz WWYFROKVYYUIJR-GJZGRUSLSA-N 2 0 323.456 2.653 20 0 DFADRP CC[NH+]1CCC(NC(=O)C[N@@H+]2CCCC3(CCCCC3)C2)CC1 ZINC000111324071 426046974 /nfs/dbraw/zinc/04/69/74/426046974.db2.gz IOSJGEHDMWLXCJ-UHFFFAOYSA-N 2 0 321.509 2.633 20 0 DFADRP C[NH2+]CCC[N@H+](C)CCC(=O)Nc1cc(Cl)ccc1Cl ZINC000127246447 426056974 /nfs/dbraw/zinc/05/69/74/426056974.db2.gz FPVGZNPFKDUMON-UHFFFAOYSA-N 2 0 318.248 2.863 20 0 DFADRP CC[N@@H+]1CC[C@@H]([NH2+]CCc2cc(F)c(F)c(F)c2)[C@H](C)C1 ZINC000162302783 426060718 /nfs/dbraw/zinc/06/07/18/426060718.db2.gz QHQFXYWURBFKSQ-IAQYHMDHSA-N 2 0 300.368 2.966 20 0 DFADRP CC[C@H]([NH2+]CC1CC[NH+](C)CC1)c1ccc2c(c1)OCCO2 ZINC000126237123 426010653 /nfs/dbraw/zinc/01/06/53/426010653.db2.gz CIBWNBHMQHSZPI-INIZCTEOSA-N 2 0 304.434 2.840 20 0 DFADRP COC[C@H]([NH2+][C@H]1CCN(Cc2ccccn2)C[C@@H]1C)C(C)C ZINC000126276497 426013476 /nfs/dbraw/zinc/01/34/76/426013476.db2.gz RWPLOWRLFRTTQZ-SZMVWBNQSA-N 2 0 305.466 2.553 20 0 DFADRP C[C@@H]([NH2+]C[C@H](C)N1CC[NH+](C)CC1)c1cc2ccccc2o1 ZINC000127799970 426087238 /nfs/dbraw/zinc/08/72/38/426087238.db2.gz YZHRLAZQVMVHNC-LSDHHAIUSA-N 2 0 301.434 2.719 20 0 DFADRP C[C@@H](C[NH2+]CC1CC[NH+](CCN(C)C)CC1)c1ccc(F)cc1 ZINC000127877258 426090807 /nfs/dbraw/zinc/09/08/07/426090807.db2.gz APFNHXIMYGRIJO-INIZCTEOSA-N 2 0 321.484 2.792 20 0 DFADRP C[C@H](C[NH2+]CC1CC[NH+](CCN(C)C)CC1)c1ccc(F)cc1 ZINC000127877496 426090992 /nfs/dbraw/zinc/09/09/92/426090992.db2.gz APFNHXIMYGRIJO-MRXNPFEDSA-N 2 0 321.484 2.792 20 0 DFADRP C[C@H](C[NH+]1CCCCC1)NC(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000076129462 426101191 /nfs/dbraw/zinc/10/11/91/426101191.db2.gz WOEXDVZIDAPPBC-OAHLLOKOSA-N 2 0 318.465 2.744 20 0 DFADRP C[C@@H]([NH2+][C@H](C)c1ccc(OCC[NH+](C)C)cc1)c1cnn(C)c1 ZINC000163831045 426109743 /nfs/dbraw/zinc/10/97/43/426109743.db2.gz JIRWXQQJIQEBMX-HUUCEWRRSA-N 2 0 316.449 2.772 20 0 DFADRP O[C@@H]1CCC[C@@H]1[NH+]1CCC([NH2+][C@H]2CCC[C@H]2CCCF)CC1 ZINC000337986908 268592475 /nfs/dbraw/zinc/59/24/75/268592475.db2.gz CTKILOLUNAOOAP-LEUOFYLZSA-N 2 0 312.473 2.872 20 0 DFADRP CC1CC[NH+](Cc2ccc(NC(=O)[C@@H]3CC[C@@H]([NH3+])C3)cc2)CC1 ZINC000164558999 426115132 /nfs/dbraw/zinc/11/51/32/426115132.db2.gz URYKRWHKKYHBJE-IAGOWNOFSA-N 2 0 315.461 2.984 20 0 DFADRP C[N@H+](CCNC(=O)CC[C@H]([NH3+])c1ccccc1)C1CCCCC1 ZINC000165004488 426119449 /nfs/dbraw/zinc/11/94/49/426119449.db2.gz NSAAYSXUBMQAJR-SFHVURJKSA-N 2 0 317.477 2.847 20 0 DFADRP C[C@H](CC(=O)NCCCC[N@@H+]1CCC[C@@H](C)C1)C1CC[NH2+]CC1 ZINC000165118607 426120506 /nfs/dbraw/zinc/12/05/06/426120506.db2.gz HOTRSCRDRHJXLV-IAGOWNOFSA-N 2 0 323.525 2.641 20 0 DFADRP C[C@@H]([NH2+]C[C@@H]1CC[N@H+](CCc2ccccc2)C1)[C@H]1CCOC1 ZINC000165299128 426121508 /nfs/dbraw/zinc/12/15/08/426121508.db2.gz NADBBPJWJOTMEA-NEWSRXKRSA-N 2 0 302.462 2.566 20 0 DFADRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@@H]1CCc2ccc(OC)cc21 ZINC000165969185 426124258 /nfs/dbraw/zinc/12/42/58/426124258.db2.gz AXNPVBXMJSNGIH-SJLPKXTDSA-N 2 0 306.450 2.629 20 0 DFADRP Cc1ccc2c(c1)[C@@H]([NH2+]CCCC[NH+]1CCN(C)CC1)CCC2 ZINC000166146556 426125700 /nfs/dbraw/zinc/12/57/00/426125700.db2.gz NVWRZMXGHFGYTP-FQEVSTJZSA-N 2 0 315.505 2.990 20 0 DFADRP C[C@@H]1C[C@H](N[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)CC[NH+]1C ZINC000166330649 426127634 /nfs/dbraw/zinc/12/76/34/426127634.db2.gz IYVWDGMMYJXDNR-ONCXSQPRSA-N 2 0 315.505 2.969 20 0 DFADRP CCc1ccc([C@H](C)[NH2+]CCCN2CCC[N@H+](C)CC2)s1 ZINC000128663537 426127925 /nfs/dbraw/zinc/12/79/25/426127925.db2.gz KRZIGDDYMRTNMR-HNNXBMFYSA-N 2 0 309.523 2.989 20 0 DFADRP CC(C)CC[N@@H+]1Cc2cccc(NC(=O)[C@H]3CCC[NH2+]C3)c2C1 ZINC000166933846 426130217 /nfs/dbraw/zinc/13/02/17/426130217.db2.gz OPAQZIBWFRETGP-HNNXBMFYSA-N 2 0 315.461 2.986 20 0 DFADRP C[C@@H]1Cc2ccc(F)cc2[C@@H]1[NH2+]CCCN1CCC[N@H+](C)CC1 ZINC000128719825 426130412 /nfs/dbraw/zinc/13/04/12/426130412.db2.gz ATSNCFSQZYBDEL-DNVCBOLYSA-N 2 0 319.468 2.676 20 0 DFADRP CC(C)[NH+]1CCC(NC(=O)C[N@H+](C)CCC2CCCCC2)CC1 ZINC000114456226 426136633 /nfs/dbraw/zinc/13/66/33/426136633.db2.gz AEZLKDFMGFVSDE-UHFFFAOYSA-N 2 0 323.525 2.878 20 0 DFADRP CC[NH+]1CCN([C@@H](C)C[NH2+]C[C@H](C)c2ccc(F)cc2)CC1 ZINC000127593367 426074735 /nfs/dbraw/zinc/07/47/35/426074735.db2.gz YUXHWRUXHRAECI-HOTGVXAUSA-N 2 0 307.457 2.545 20 0 DFADRP Cc1nccn1-c1ccc(CN[C@H](c2nccn2C)C2CC2)cn1 ZINC000127595818 426075361 /nfs/dbraw/zinc/07/53/61/426075361.db2.gz DOVAOXLXTUWVOY-KRWDZBQOSA-N 2 0 322.416 2.550 20 0 DFADRP CCCC[C@@H](C[NH3+])NC(=O)[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000162891017 426081359 /nfs/dbraw/zinc/08/13/59/426081359.db2.gz KSOFZOUVGOHIMH-ROUUACIJSA-N 2 0 317.477 2.675 20 0 DFADRP C[C@@H](C[NH+]1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1)c1ccccc1 ZINC000116879074 426200562 /nfs/dbraw/zinc/20/05/62/426200562.db2.gz FSNMNLMEANXTBQ-ICSRJNTNSA-N 2 0 315.505 2.892 20 0 DFADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CCN(C)c3ccccc32)[C@H](C)C1 ZINC000130134717 426148368 /nfs/dbraw/zinc/14/83/68/426148368.db2.gz RTWXHBLWFPCEDW-RYRKJORJSA-N 2 0 301.478 2.930 20 0 DFADRP CC[N@H+](Cc1ccc(C(=O)NC[C@H]2CCC[NH+]2C)cc1)C(C)C ZINC000171275347 426180432 /nfs/dbraw/zinc/18/04/32/426180432.db2.gz UIACMESDUACPBM-GOSISDBHSA-N 2 0 317.477 2.741 20 0 DFADRP CC[NH+](CC)CC(=O)NC1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000116215811 426183618 /nfs/dbraw/zinc/18/36/18/426183618.db2.gz QIFYVZNJOHTIOK-INIZCTEOSA-N 2 0 317.477 2.670 20 0 DFADRP C[NH+](C)CC(=O)NCc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000171391379 426188437 /nfs/dbraw/zinc/18/84/37/426188437.db2.gz WCTDHMFTLMRCTI-UHFFFAOYSA-N 2 0 317.477 2.629 20 0 DFADRP C[C@@H](C[NH+]1CCC(C[NH+]2CCOCC2)CC1)c1ccccc1 ZINC000116878505 426200123 /nfs/dbraw/zinc/20/01/23/426200123.db2.gz ILUMLBCBXJLJKD-KRWDZBQOSA-N 2 0 302.462 2.834 20 0 DFADRP C[NH+](C)CCOc1cc(C[NH2+]Cc2cccc3[nH]ccc32)ccn1 ZINC000136224233 426238157 /nfs/dbraw/zinc/23/81/57/426238157.db2.gz CMSNSFQEHRICMY-UHFFFAOYSA-N 2 0 324.428 2.793 20 0 DFADRP Cc1ccc(NC(=O)C[NH+]2CCC(C)CC2)c(C[NH+](C)C)c1 ZINC000136279330 426238738 /nfs/dbraw/zinc/23/87/38/426238738.db2.gz OXFYZJLQEROMMP-UHFFFAOYSA-N 2 0 303.450 2.727 20 0 DFADRP Cn1ccnc1CC1CCN(Cc2ccncc2Cl)CC1 ZINC000173692247 426246025 /nfs/dbraw/zinc/24/60/25/426246025.db2.gz IGAQIGWLJHHDJE-UHFFFAOYSA-N 2 0 304.825 2.923 20 0 DFADRP CC[N@H+](C)C[C@@H]1CC[NH+](CCCOCCc2ccccc2)C1 ZINC000173884954 426250187 /nfs/dbraw/zinc/25/01/87/426250187.db2.gz IBABWYOGDYRFCO-IBGZPJMESA-N 2 0 304.478 2.909 20 0 DFADRP CSc1cc2c(cc1C[NH2+]CCCC[NH+](C)C)OCCO2 ZINC000086506639 426258663 /nfs/dbraw/zinc/25/86/63/426258663.db2.gz KVZMYTLHQLMNCU-UHFFFAOYSA-N 2 0 310.463 2.611 20 0 DFADRP CC(C)CCn1cccc1C[NH2+]C[C@@H](C)CN1CC[NH+](C)CC1 ZINC000119067256 426259252 /nfs/dbraw/zinc/25/92/52/426259252.db2.gz WFUALTFYSJFZSZ-GOSISDBHSA-N 2 0 320.525 2.507 20 0 DFADRP CC[N@@H+]1CC[C@@H]([NH2+]Cc2ccccc2Cn2cccn2)[C@H](C)C1 ZINC000119239909 426271697 /nfs/dbraw/zinc/27/16/97/426271697.db2.gz QKYBMVBSAYOLAH-VQIMIIECSA-N 2 0 312.461 2.751 20 0 DFADRP C[C@@H](NC[C@@H](O)C[NH+]1CCCCC1)c1cc2c(s1)CCC2 ZINC000151298470 426288230 /nfs/dbraw/zinc/28/82/30/426288230.db2.gz VEGUCQZXDJBKQF-UKRRQHHQSA-N 2 0 308.491 2.734 20 0 DFADRP CC1(C)CCC(C[NH+]2CCN(CC[NH+]3CCCC3)CC2)CC1 ZINC000119525462 426294618 /nfs/dbraw/zinc/29/46/18/426294618.db2.gz RJHXSSRBSSOGMI-UHFFFAOYSA-N 2 0 307.526 2.916 20 0 DFADRP C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)C[C@H]([NH3+])c2ccccc2)C1 ZINC000119566385 426297466 /nfs/dbraw/zinc/29/74/66/426297466.db2.gz OABYRMVKAHSGPY-RDJZCZTQSA-N 2 0 317.477 2.703 20 0 DFADRP CC1(C)C[C@@H]([NH2+]Cc2cccnc2-n2ccnc2)C(C)(C)O1 ZINC000151535503 426300675 /nfs/dbraw/zinc/30/06/75/426300675.db2.gz UMLCHCUEYJXSQS-CQSZACIVSA-N 2 0 300.406 2.703 20 0 DFADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]CCc1nc2c(s1)CCCC2 ZINC000089667509 426301161 /nfs/dbraw/zinc/30/11/61/426301161.db2.gz OOKCQJOXKQSVPZ-UMVBOHGHSA-N 2 0 307.507 2.883 20 0 DFADRP CCC[C@H]([NH2+]CC1CC[NH+](CCO)CC1)c1ccc(OC)cc1 ZINC000151798852 426312814 /nfs/dbraw/zinc/31/28/14/426312814.db2.gz DROLUJFLUOTGGJ-IBGZPJMESA-N 2 0 320.477 2.830 20 0 DFADRP COc1cccc(CN(C)C[C@H]2CC[N@H+](C)C2)c1OC(C)C ZINC000120994451 426318800 /nfs/dbraw/zinc/31/88/00/426318800.db2.gz ADLPZASECWTFSN-HNNXBMFYSA-N 2 0 306.450 2.866 20 0 DFADRP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@@H](C)c2cccnc2Cl)CC1 ZINC000121196724 426322913 /nfs/dbraw/zinc/32/29/13/426322913.db2.gz SJSIOOWYMJUKKZ-CABCVRRESA-N 2 0 324.900 2.659 20 0 DFADRP c1c(CC[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C23CCCC3)nc2n1CCCC2 ZINC000121188634 426323022 /nfs/dbraw/zinc/32/30/22/426323022.db2.gz JWUQMGSDGKALQY-JQHSSLGASA-N 2 0 315.461 2.699 20 0 DFADRP C[C@@H]1C[C@H]([NH2+]CC(C)(C)c2ccc3c(c2)OCO3)CC[N@@H+]1C ZINC000122808432 426395944 /nfs/dbraw/zinc/39/59/44/426395944.db2.gz RMOUVMHZKCVWEL-UKRRQHHQSA-N 2 0 304.434 2.765 20 0 DFADRP CC[C@@H]([NH2+]C[C@H]1CC[N@@H+](C2CC2)C1)c1ccc2c(c1)OCCO2 ZINC000152409087 426342360 /nfs/dbraw/zinc/34/23/60/426342360.db2.gz RQEUDFLSYXFNCZ-RHSMWYFYSA-N 2 0 316.445 2.983 20 0 DFADRP C[N@@H+]1CCC[C@H](C[NH2+]C2CCC(C(=O)OC(C)(C)C)CC2)C1 ZINC000092565365 426349969 /nfs/dbraw/zinc/34/99/69/426349969.db2.gz XNDIOZNIFUZEJI-QQFBHYJXSA-N 2 0 310.482 2.818 20 0 DFADRP C[C@H]1C[C@@H]([NH2+]C[C@@H]2CCN(c3ccc(F)cc3)C2)CC[N@@H+]1C ZINC000152769657 426353478 /nfs/dbraw/zinc/35/34/78/426353478.db2.gz HXXGADDQAFIHTP-ZOBUZTSGSA-N 2 0 305.441 2.724 20 0 DFADRP C[C@H]([NH2+][C@@H](C)[C@@H]1CCCO1)c1ccc(OCC[NH+](C)C)cc1 ZINC000152845643 426357159 /nfs/dbraw/zinc/35/71/59/426357159.db2.gz BIAXOSAJVPJZME-MPGHIAIKSA-N 2 0 306.450 2.845 20 0 DFADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1NCCC[NH+]1CCc2ccccc2C1 ZINC000122780184 426393113 /nfs/dbraw/zinc/39/31/13/426393113.db2.gz WJGGCZDBAYFLFF-MBOZVWFJSA-N 2 0 315.505 2.753 20 0 DFADRP C[C@H]1C[N@H+](C)CC[C@@H]1NCc1cccnc1OC1CCCC1 ZINC000153886040 426411855 /nfs/dbraw/zinc/41/18/55/426411855.db2.gz HGWGEDMFUNMOFN-YOEHRIQHSA-N 2 0 303.450 2.833 20 0 DFADRP Cc1ccccc1C[NH+]1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000154012637 426418774 /nfs/dbraw/zinc/41/87/74/426418774.db2.gz PBENOJDRGDTMBL-KDURUIRLSA-N 2 0 315.505 2.985 20 0 DFADRP C[C@@H](C(=O)N1CCCCCC1)[NH+]1CCC(CCC[NH+](C)C)CC1 ZINC000123198127 426419634 /nfs/dbraw/zinc/41/96/34/426419634.db2.gz NJWKEIHMRSHMKC-KRWDZBQOSA-N 2 0 323.525 2.831 20 0 DFADRP CNC(=O)c1ccc(C[NH+]2CCC(CCC[NH+](C)C)CC2)cc1 ZINC000123282292 426425137 /nfs/dbraw/zinc/42/51/37/426425137.db2.gz JECANNLDRQKZIE-UHFFFAOYSA-N 2 0 317.477 2.600 20 0 DFADRP Cn1cccc1[C@H]1CCC[N@@H+]1Cc1ccc(-n2ccnc2)nc1 ZINC000176987631 426431104 /nfs/dbraw/zinc/43/11/04/426431104.db2.gz IBXUWNMWKWWFJH-QGZVFWFLSA-N 2 0 307.401 2.943 20 0 DFADRP CCCNC(=O)[C@H](C)[NH2+]Cc1cccc(C[NH+](CC)CC)c1 ZINC000123440137 426434851 /nfs/dbraw/zinc/43/48/51/426434851.db2.gz IEXGMZWJXIAKLP-HNNXBMFYSA-N 2 0 305.466 2.533 20 0 DFADRP CC[NH+]1CCN(CCC[NH2+][C@@H]2CCCc3ccccc32)CC1 ZINC000154311978 426435293 /nfs/dbraw/zinc/43/52/93/426435293.db2.gz QOJCXGYHUPFSSF-LJQANCHMSA-N 2 0 301.478 2.681 20 0 DFADRP COc1ccc(C[C@H](C)C[N@@H+]2CC[C@]3(CC[NH2+]C3)C2)cc1F ZINC000340698426 269001664 /nfs/dbraw/zinc/00/16/64/269001664.db2.gz OUYWQBGIXIOBOE-KSSFIOAISA-N 2 0 306.425 2.698 20 0 DFADRP C[N@H+](CCCc1cc(-c2ccccc2)n[nH]1)C[C@]1(C)CC[NH2+]C1 ZINC000340712828 269003105 /nfs/dbraw/zinc/00/31/05/269003105.db2.gz SWQJMBCGSDNVEB-LJQANCHMSA-N 2 0 312.461 2.941 20 0 DFADRP C[N@@H+]1CCC[C@@H]1CNC1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000154567692 426446252 /nfs/dbraw/zinc/44/62/52/426446252.db2.gz VVVCCFCAQANYRP-LJQANCHMSA-N 2 0 319.468 2.516 20 0 DFADRP COc1ccc(OCCC[NH+]2CCC(C[NH+](C)C)CC2)cc1 ZINC000341164807 269050576 /nfs/dbraw/zinc/05/05/76/269050576.db2.gz ASBWRTOPNZQLMZ-UHFFFAOYSA-N 2 0 306.450 2.738 20 0 DFADRP CC(C)C[N@@H+]1CCC[C@@H](C[NH2+]C2CCN(CC(F)F)CC2)C1 ZINC000341358804 269072086 /nfs/dbraw/zinc/07/20/86/269072086.db2.gz SBOAKAWCZQHHGG-HNNXBMFYSA-N 2 0 317.468 2.674 20 0 DFADRP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@@H](C)c1ccc(Cl)s1 ZINC000154938829 426460008 /nfs/dbraw/zinc/46/00/08/426460008.db2.gz DXTZYCMRTJOCFI-NEPJUHHUSA-N 2 0 301.887 2.688 20 0 DFADRP COc1cccc([C@H](C)[NH2+]CC2CC[NH+](CCN(C)C)CC2)c1 ZINC000177298416 426465579 /nfs/dbraw/zinc/46/55/79/426465579.db2.gz GLCWEOAQRHFFAR-INIZCTEOSA-N 2 0 319.493 2.619 20 0 DFADRP COc1cccc([C@@H](C)[NH2+]CCCC[N@@H+]2CCC[C@@H]2CO)c1 ZINC000177322558 426467803 /nfs/dbraw/zinc/46/78/03/426467803.db2.gz RXORZUQGMLUISJ-NVXWUHKLSA-N 2 0 306.450 2.583 20 0 DFADRP C[C@H](c1ccccn1)[NH+]1CCC(OCC[NH+]2CCCC2)CC1 ZINC000177362175 426471862 /nfs/dbraw/zinc/47/18/62/426471862.db2.gz IBTWJGKQAUPHFA-MRXNPFEDSA-N 2 0 303.450 2.719 20 0 DFADRP CC[N@@H+]1CC[C@H](C[NH2+]Cc2ccc(OC(C)C)c(OC)c2)C1 ZINC000124162806 426472986 /nfs/dbraw/zinc/47/29/86/426472986.db2.gz IACKRNRJZOZUJK-MRXNPFEDSA-N 2 0 306.450 2.914 20 0 DFADRP CC[N@@H+]1CC[C@@H](C[NH2+][C@@H](C)Cc2ccc(OC)c(OC)c2)C1 ZINC000124160241 426473985 /nfs/dbraw/zinc/47/39/85/426473985.db2.gz WRLHUUGZARMRAK-HOCLYGCPSA-N 2 0 306.450 2.566 20 0 DFADRP CC[N@@H+]1CC[C@@H](CNCc2c(C)nn(-c3ccccc3)c2C)C1 ZINC000124172903 426474025 /nfs/dbraw/zinc/47/40/25/426474025.db2.gz WAGLKNUHMGKLTI-KRWDZBQOSA-N 2 0 312.461 2.921 20 0 DFADRP CN(CCCn1ccnc1)Cc1nc(-c2cccs2)no1 ZINC000124247278 426475992 /nfs/dbraw/zinc/47/59/92/426475992.db2.gz KRTZBIPNACAHHN-UHFFFAOYSA-N 2 0 303.391 2.517 20 0 DFADRP COc1ccc(C[C@@H](C)[NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)cc1OC ZINC000124357908 426482023 /nfs/dbraw/zinc/48/20/23/426482023.db2.gz JPMKEOGHNYHATQ-ZBFHGGJFSA-N 2 0 318.461 2.709 20 0 DFADRP C[C@@H](CCc1ccc2c(c1)OCO2)[NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000124381856 426482540 /nfs/dbraw/zinc/48/25/40/426482540.db2.gz FLLUTKAHYQCTBE-HOCLYGCPSA-N 2 0 316.445 2.810 20 0 DFADRP C[C@@H](C(=O)NCc1cccc(C[NH+](C)C)c1)[NH+]1[C@@H](C)CC[C@@H]1C ZINC000101639514 426485721 /nfs/dbraw/zinc/48/57/21/426485721.db2.gz HOSVSTHAZHXAHR-JYJNAYRXSA-N 2 0 317.477 2.626 20 0 DFADRP CCCC[NH+]1CCC(NC(=O)[C@@H](C)[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000101659262 426485882 /nfs/dbraw/zinc/48/58/82/426485882.db2.gz WMCUAAQHAAZTFQ-OWCLPIDISA-N 2 0 309.498 2.628 20 0 DFADRP C[NH+]1CCC(O)(C[NH2+][C@H]2CC=C(c3ccc(F)cc3)CC2)CC1 ZINC000272359829 426507839 /nfs/dbraw/zinc/50/78/39/426507839.db2.gz PYXUMOGLPUKZRI-SFHVURJKSA-N 2 0 318.436 2.808 20 0 DFADRP Cn1cc(CC[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)cn1 ZINC000272388883 426513696 /nfs/dbraw/zinc/51/36/96/426513696.db2.gz GTBVSUABGZLFSS-OWZKRDHZSA-N 2 0 324.472 2.748 20 0 DFADRP C[C@H](NCCC[NH+]1CCCC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272395605 426515327 /nfs/dbraw/zinc/51/53/27/426515327.db2.gz DGPPHVKTBMFAJU-ICSRJNTNSA-N 2 0 315.505 2.973 20 0 DFADRP C[NH+]1CCC(C)(C[NH2+]Cc2cc(Cl)c3c(c2)OCCO3)CC1 ZINC000272410262 426519439 /nfs/dbraw/zinc/51/94/39/426519439.db2.gz BYNSSTOBCRETBO-UHFFFAOYSA-N 2 0 324.852 2.933 20 0 DFADRP COc1ccnc(CN2C[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)c1 ZINC000280214593 426522373 /nfs/dbraw/zinc/52/23/73/426522373.db2.gz AHZCZTBZDSYXLK-HDICACEKSA-N 2 0 323.440 2.654 20 0 DFADRP C[C@H]([NH2+]Cc1ccc(N2CC[NH+](C)CC2)nc1)C1CCCC1 ZINC000177827730 426525870 /nfs/dbraw/zinc/52/58/70/426525870.db2.gz KXWLYXMAODVOEH-HNNXBMFYSA-N 2 0 302.466 2.502 20 0 DFADRP Cc1cccc(NC[C@@H]2CC[N@H+](CCOCC(F)(F)F)C2)[nH+]1 ZINC000195516324 426534161 /nfs/dbraw/zinc/53/41/61/426534161.db2.gz RUWNYWQLDYBSQI-ZDUSSCGKSA-N 2 0 317.355 2.703 20 0 DFADRP Cc1nccn1CC[NH2+][C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272485139 426538894 /nfs/dbraw/zinc/53/88/94/426538894.db2.gz MMCKRRFTYYELSL-QFBILLFUSA-N 2 0 312.461 2.692 20 0 DFADRP CCO[C@@H]1C[C@H]([NH2+]CC2(C[NH+](C)C)CCCC2)C12CCOCC2 ZINC000186505196 426540575 /nfs/dbraw/zinc/54/05/75/426540575.db2.gz QYTXOOILGDWQHA-DLBZAZTESA-N 2 0 324.509 2.672 20 0 DFADRP Cc1ccccc1C1CC([NH2+][C@@H](C)CCN2CC[NH+](C)CC2)C1 ZINC000186577342 426555156 /nfs/dbraw/zinc/55/51/56/426555156.db2.gz WEVMGTKNAJSVLZ-VIQWUECVSA-N 2 0 315.505 2.857 20 0 DFADRP CCC[C@H]([NH3+])C(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC000272513569 426544409 /nfs/dbraw/zinc/54/44/09/426544409.db2.gz XYKNTPKYRKEUGY-KRWDZBQOSA-N 2 0 303.450 2.781 20 0 DFADRP CCCOc1ccc([C@@H](C)[NH2+][C@H](C)CN2CC[NH+](C)CC2)cc1 ZINC000177969861 426546775 /nfs/dbraw/zinc/54/67/75/426546775.db2.gz IOELBNGISZWVHO-IAGOWNOFSA-N 2 0 319.493 2.762 20 0 DFADRP C[C@H]1C[C@@H](NC2CC[NH+](CCc3ccccc3)CC2)CC[N@@H+]1C ZINC000177968765 426547515 /nfs/dbraw/zinc/54/75/15/426547515.db2.gz UUUNHBTVGJRMKJ-PXNSSMCTSA-N 2 0 315.505 2.766 20 0 DFADRP C[C@H]([NH2+][C@@H]1CCCC[C@H]1O)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272537251 426551329 /nfs/dbraw/zinc/55/13/29/426551329.db2.gz RLMUSIKGXREWJD-GDAAHCPNSA-N 2 0 302.462 2.790 20 0 DFADRP CC[C@@H](Cc1ccc(C)cc1)[NH2+][C@@H](C)CCN1CC[NH+](C)CC1 ZINC000186570794 426553489 /nfs/dbraw/zinc/55/34/89/426553489.db2.gz SOBPOPFNTOYISX-ICSRJNTNSA-N 2 0 317.521 2.932 20 0 DFADRP CSCCC[NH+]1CCC(CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000177510408 426490683 /nfs/dbraw/zinc/49/06/83/426490683.db2.gz SMZWURPQUHOZJA-IYBDPMFKSA-N 2 0 314.539 2.951 20 0 DFADRP CCO[C@@H]1C[C@H]([NH2+]CCC[N@@H+]2CCCC[C@@H]2C)C12CCOCC2 ZINC000186212710 426494458 /nfs/dbraw/zinc/49/44/58/426494458.db2.gz TZUGRGSOKQNDJA-OKZBNKHCSA-N 2 0 324.509 2.815 20 0 DFADRP CCC[NH+]1CCC(C[NH2+][C@H]2C[C@H](OCC)C23CCOCC3)CC1 ZINC000186319972 426503536 /nfs/dbraw/zinc/50/35/36/426503536.db2.gz HPWXGIJOARWQOT-ROUUACIJSA-N 2 0 324.509 2.672 20 0 DFADRP CC(C)c1nc([C@@H](C)[NH2+]CCCN2CCC[N@H+](C)CC2)cs1 ZINC000186322448 426504390 /nfs/dbraw/zinc/50/43/90/426504390.db2.gz QFGNDXRYUCWBQW-OAHLLOKOSA-N 2 0 324.538 2.945 20 0 DFADRP C[C@@H]([NH2+]CC(C)(C)CCO)c1ccc(OCC[NH+](C)C)cc1 ZINC000178161680 426580611 /nfs/dbraw/zinc/58/06/11/426580611.db2.gz SOSWDJKQMXWWAI-OAHLLOKOSA-N 2 0 308.466 2.686 20 0 DFADRP c1cc2c(ncnc2N2C[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)[nH]1 ZINC000280545816 426596651 /nfs/dbraw/zinc/59/66/51/426596651.db2.gz STWGXDMDXCBMOR-IYBDPMFKSA-N 2 0 319.412 2.526 20 0 DFADRP CCC(C)(C)[NH2+][C@H](C)C(=O)N[C@@H](C[NH+](C)C)c1ccccc1 ZINC000273188584 426610789 /nfs/dbraw/zinc/61/07/89/426610789.db2.gz INDBZORFGUOPLM-ZBFHGGJFSA-N 2 0 305.466 2.572 20 0 DFADRP CCC(C)(C)[NH2+][C@@H](C)C(=O)N[C@H](C[NH+](C)C)c1ccccc1 ZINC000273188576 426611297 /nfs/dbraw/zinc/61/12/97/426611297.db2.gz INDBZORFGUOPLM-GOEBONIOSA-N 2 0 305.466 2.572 20 0 DFADRP C[N@@H+]1CCC[C@@H]1CC[NH+]1CCC(O)(Cc2cccc(F)c2)CC1 ZINC000186946724 426611901 /nfs/dbraw/zinc/61/19/01/426611901.db2.gz KRUUJEDPFZQPOR-GOSISDBHSA-N 2 0 320.452 2.679 20 0 DFADRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@H](C)c1ccc2c(c1)CCO2 ZINC000178377786 426618803 /nfs/dbraw/zinc/61/88/03/426618803.db2.gz XEEXOKCJFGQFLI-RHSMWYFYSA-N 2 0 306.450 2.629 20 0 DFADRP COc1ccc(C)cc1[C@@H](C)[NH2+][C@H](C)CCN1CC[NH+](C)CC1 ZINC000186603800 426562951 /nfs/dbraw/zinc/56/29/51/426562951.db2.gz GHHBLWPCHASKHD-IAGOWNOFSA-N 2 0 319.493 2.680 20 0 DFADRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+][C@@H](C)c1ccc2c(c1)CCC2 ZINC000186605030 426563582 /nfs/dbraw/zinc/56/35/82/426563582.db2.gz IZCJZCBENVZBEO-SJORKVTESA-N 2 0 315.505 2.852 20 0 DFADRP COc1ccc([C@H](C)[NH2+][C@H](C)CCN2CC[NH+](C)CC2)c(F)c1 ZINC000186604415 426563822 /nfs/dbraw/zinc/56/38/22/426563822.db2.gz YRRNMYAYXSEYTM-CABCVRRESA-N 2 0 323.456 2.511 20 0 DFADRP CC[N@@H+]1CC[C@H](C[NH2+]C[C@@H](C)Cc2ccc(OC)c(F)c2)C1 ZINC000187115237 426631087 /nfs/dbraw/zinc/63/10/87/426631087.db2.gz SWNQQFWCTOPUPB-GOEBONIOSA-N 2 0 308.441 2.944 20 0 DFADRP C[C@H]1C[C@@H]([NH2+]CCN2CCC([NH+](C)C)CC2)c2ccccc21 ZINC000289343377 426631505 /nfs/dbraw/zinc/63/15/05/426631505.db2.gz XDJVZDQOZOGMST-HNAYVOBHSA-N 2 0 301.478 2.851 20 0 DFADRP CC(C)[C@H](Cc1ccccc1)[NH2+]CC1CC[NH+](CCO)CC1 ZINC000187175155 426634348 /nfs/dbraw/zinc/63/43/48/426634348.db2.gz UQTHUNWRABAXEN-IBGZPJMESA-N 2 0 304.478 2.548 20 0 DFADRP C[N@H+](CCCN1CC[NH+](C)CC1)Cc1cc(F)cc(Cl)c1 ZINC000289390758 426645634 /nfs/dbraw/zinc/64/56/34/426645634.db2.gz DXHFXBXNNVRUJL-UHFFFAOYSA-N 2 0 313.848 2.548 20 0 DFADRP CC(C)[C@@H](C[NH2+][C@H](C)CN1CC[NH+](C)CC1)c1ccccc1 ZINC000280793904 426657384 /nfs/dbraw/zinc/65/73/84/426657384.db2.gz GSLQSKXBEGJLOJ-IEBWSBKVSA-N 2 0 303.494 2.652 20 0 DFADRP CC(C)[NH+]1CCC([NH2+]CCCN2CCc3ccccc32)CC1 ZINC000236599657 426665131 /nfs/dbraw/zinc/66/51/31/426665131.db2.gz XQFNIQDYQMPKTI-UHFFFAOYSA-N 2 0 301.478 2.902 20 0 DFADRP COCCC[C@H](C)[NH2+]C[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000178620348 426665644 /nfs/dbraw/zinc/66/56/44/426665644.db2.gz NCHZDSKSJVSJHL-PKOBYXMFSA-N 2 0 304.478 2.956 20 0 DFADRP CC1CC[NH+](Cc2ccc(NC(=O)C3CC[NH2+]CC3)cc2)CC1 ZINC000236636258 426669763 /nfs/dbraw/zinc/66/97/63/426669763.db2.gz XMBSAIBNOGXHNX-UHFFFAOYSA-N 2 0 315.461 2.857 20 0 DFADRP CCC(CC)(C[NH3+])C(=O)NCC[C@@H](C)[N@H+](C)Cc1ccccc1 ZINC000236669135 426672074 /nfs/dbraw/zinc/67/20/74/426672074.db2.gz JIKQBNYXKIRGNT-MRXNPFEDSA-N 2 0 319.493 2.778 20 0 DFADRP CCC[C@H]([NH2+]C1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)c1cccnc1 ZINC000273491747 426672317 /nfs/dbraw/zinc/67/23/17/426672317.db2.gz OITHWTCPQVIZKB-OTWHNJEPSA-N 2 0 317.477 2.890 20 0 DFADRP OC[C@H]1CCC[N@@H+]1CCCC[NH2+][C@@H](c1cccnc1)C1CCC1 ZINC000280862905 426672885 /nfs/dbraw/zinc/67/28/85/426672885.db2.gz NITXJDZBOBKAID-RTBURBONSA-N 2 0 317.477 2.749 20 0 DFADRP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@@H](C)c2sc(C)nc2C)CC1 ZINC000178693557 426677484 /nfs/dbraw/zinc/67/74/84/426677484.db2.gz FCVOWODNLXZZPP-KGLIPLIRSA-N 2 0 324.538 2.684 20 0 DFADRP Cc1ccncc1CCC[N@@H+](C)[C@H]1CCCC[C@@H]1S(C)(=O)=O ZINC000290049840 426680772 /nfs/dbraw/zinc/68/07/72/426680772.db2.gz OPNGRFMERKHQFN-IRXDYDNUSA-N 2 0 324.490 2.610 20 0 DFADRP CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)C[C@@H](C)C1CC[NH2+]CC1 ZINC000236749298 426682388 /nfs/dbraw/zinc/68/23/88/426682388.db2.gz GGBIDKKKHIYRAD-SJLPKXTDSA-N 2 0 323.525 2.783 20 0 DFADRP CC[C@H](C)NC(=O)[C@@H](C)[NH+]1CCC(CCC[NH+]2CCCC2)CC1 ZINC000178915449 426720349 /nfs/dbraw/zinc/72/03/49/426720349.db2.gz DMAFYHUSACFDIT-DLBZAZTESA-N 2 0 323.525 2.878 20 0 DFADRP CC[NH+]1CCN([C@@H]2CC[N@H+](Cc3c(C)cccc3C)C2)CC1 ZINC000265804352 426692919 /nfs/dbraw/zinc/69/29/19/426692919.db2.gz OEMBHSYVHQLKQB-GOSISDBHSA-N 2 0 301.478 2.515 20 0 DFADRP COCCC[C@H](C)[NH2+]Cc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC000178795072 426697971 /nfs/dbraw/zinc/69/79/71/426697971.db2.gz KUYWWCAZRUIQGA-INIZCTEOSA-N 2 0 320.477 2.548 20 0 DFADRP CC(C)[C@@H](O)C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000245735924 426767415 /nfs/dbraw/zinc/76/74/15/426767415.db2.gz QUJGJYCYXJYEOA-OKYOBFRVSA-N 2 0 302.462 2.789 20 0 DFADRP CC(C)[NH+]1CCC([NH2+]C[C@@]2(O)CCC[C@@H](C(F)(F)F)C2)CC1 ZINC000188625190 426769998 /nfs/dbraw/zinc/76/99/98/426769998.db2.gz TWRBQTHKSFCKMX-UKRRQHHQSA-N 2 0 322.415 2.932 20 0 DFADRP C[N@@H+]1CCN(CC[NH2+]Cc2ccc3ccccc3c2)CC1(C)C ZINC000281861021 426780038 /nfs/dbraw/zinc/78/00/38/426780038.db2.gz ANHRYEJPKICCPP-UHFFFAOYSA-N 2 0 311.473 2.955 20 0 DFADRP CCn1nc(CN2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)c2ccccc21 ZINC000274504997 426782462 /nfs/dbraw/zinc/78/24/62/426782462.db2.gz SVJSLVVUAILAAY-YJBOKZPZSA-N 2 0 312.461 2.972 20 0 DFADRP COC(=O)[C@@H](c1ccccc1)N1CCC[C@@H]1Cn1ccnc1C ZINC000245930463 426784602 /nfs/dbraw/zinc/78/46/02/426784602.db2.gz JBIBAJWAMKNWPA-IAGOWNOFSA-N 2 0 313.401 2.570 20 0 DFADRP c1ccc(CCCO[C@H]2CC[N@H+](CC3CC[NH2+]CC3)C2)cc1 ZINC000178976578 426729289 /nfs/dbraw/zinc/72/92/89/426729289.db2.gz XDQBZKSRMOUISZ-IBGZPJMESA-N 2 0 302.462 2.710 20 0 DFADRP CC1(C)[C@H]([NH2+]C[C@@H](O)C[NH+]2CCCC2)C[C@H]1c1ccccc1 ZINC000274263313 426730926 /nfs/dbraw/zinc/73/09/26/426730926.db2.gz KUMSRKWKPMHBOT-FGTMMUONSA-N 2 0 302.462 2.615 20 0 DFADRP COC(=O)[C@@H](c1ccccc1C)N1CCC[C@H](c2ncc[nH]2)C1 ZINC000274304863 426740718 /nfs/dbraw/zinc/74/07/18/426740718.db2.gz DEMQQYYSZBWCJF-GOEBONIOSA-N 2 0 313.401 2.812 20 0 DFADRP COc1cc([C@@H](C)[NH2+]CCCC[N@@H+]2CCC[C@H]2CO)ccc1F ZINC000245501694 426744173 /nfs/dbraw/zinc/74/41/73/426744173.db2.gz DFYJFXVQWOAKRZ-ZBFHGGJFSA-N 2 0 324.440 2.722 20 0 DFADRP C[C@H]1C[C@H]([NH2+]CC2=CC[N@H+](C)CC2)CN(Cc2ccccc2)C1 ZINC000274346936 426748054 /nfs/dbraw/zinc/74/80/54/426748054.db2.gz JNHPZIRRQZSGQC-PXNSSMCTSA-N 2 0 313.489 2.749 20 0 DFADRP C[C@@H]1C[C@@H]([NH2+]CC2=CC[N@H+](C)CC2)CN(Cc2ccccc2)C1 ZINC000274346945 426749716 /nfs/dbraw/zinc/74/97/16/426749716.db2.gz JNHPZIRRQZSGQC-YLJYHZDGSA-N 2 0 313.489 2.749 20 0 DFADRP COc1ccc(C[N@@H+]2CC[C@H](C3CC[NH+](C)CC3)C2)c(OC)c1 ZINC000290592400 426801949 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426889416 /nfs/dbraw/zinc/88/94/16/426889416.db2.gz PERKBGFSPBQXSD-KRWDZBQOSA-N 2 0 307.457 2.892 20 0 DFADRP CC[NH+](CC)Cc1ccc(C(=O)NCC2([NH+](C)C)CCC2)cc1 ZINC000275690072 426894687 /nfs/dbraw/zinc/89/46/87/426894687.db2.gz AOGMWNNSXSZATO-UHFFFAOYSA-N 2 0 317.477 2.743 20 0 DFADRP Cc1oc2ccccc2c1C[NH2+]CCN1CC[N@@H+](C)C(C)(C)C1 ZINC000282379870 426895541 /nfs/dbraw/zinc/89/55/41/426895541.db2.gz OIGMMEHLXTUDNH-UHFFFAOYSA-N 2 0 315.461 2.857 20 0 DFADRP CC(C)C[C@H](C[NH3+])CC(=O)NCCC[N@H+](C)C1CCCCC1 ZINC000316206829 426946730 /nfs/dbraw/zinc/94/67/30/426946730.db2.gz QEKLLWDDXMYYRQ-INIZCTEOSA-N 2 0 311.514 2.768 20 0 DFADRP C[N@H+](CCCN1CC[NH+](C)CC1)Cc1cc(Cl)ccc1F ZINC000189781618 426949537 /nfs/dbraw/zinc/94/95/37/426949537.db2.gz FNVMJTISJMLISF-UHFFFAOYSA-N 2 0 313.848 2.548 20 0 DFADRP CCC[C@@H](O)C[N@@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000295418320 426951453 /nfs/dbraw/zinc/95/14/53/426951453.db2.gz XXZKJIUYAPFNAY-MOPGFXCFSA-N 2 0 302.462 2.745 20 0 DFADRP 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2.894 20 0 DFADRP C[C@@H]1CCCC[N@@H+]1CCC(=O)N1CCCC[C@@H]1c1ncc[nH]1 ZINC000328792008 426998514 /nfs/dbraw/zinc/99/85/14/426998514.db2.gz RFDTXIIOURXVFN-HUUCEWRRSA-N 2 0 304.438 2.728 20 0 DFADRP C[C@@H]1CC[NH+](CC2(C[N@H+]3CC[C@H](C)[C@@H](C)C3)COC2)C[C@H]1C ZINC000248420089 426999473 /nfs/dbraw/zinc/99/94/73/426999473.db2.gz LMOSDEHIBGPUCS-USTZCAOPSA-N 2 0 308.510 2.959 20 0 DFADRP C/C(=C\c1ccccc1)C[NH2+]CC1(O)CC[NH+](C(C)C)CC1 ZINC000268442676 427019359 /nfs/dbraw/zinc/01/93/59/427019359.db2.gz SLBDACGOYZPCCI-GHRIWEEISA-N 2 0 302.462 2.915 20 0 DFADRP CC(C)[NH+]1CCC(O)(C[NH2+]Cc2cc3ccccc3o2)CC1 ZINC000268447012 427020560 /nfs/dbraw/zinc/02/05/60/427020560.db2.gz UNJCZSORQGKBPU-UHFFFAOYSA-N 2 0 302.418 2.758 20 0 DFADRP CC(C)[NH+]1CCC(O)(C[NH2+]Cc2c(F)cccc2Cl)CC1 ZINC000268455558 427023200 /nfs/dbraw/zinc/02/32/00/427023200.db2.gz XSIHZFYQQMCOQW-UHFFFAOYSA-N 2 0 314.832 2.804 20 0 DFADRP C[C@H]([NH2+]CCO[C@H]1CCCCO1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000248839218 427051618 /nfs/dbraw/zinc/05/16/18/427051618.db2.gz PUPZGXHCTZFKON-JZXOWHBKSA-N 2 0 310.482 2.772 20 0 DFADRP CC[NH+]1CCN(CCC[NH2+][C@@H]2CCCc3cc(F)ccc32)CC1 ZINC000182407480 427073361 /nfs/dbraw/zinc/07/33/61/427073361.db2.gz JZGOXEDNIGRUEJ-LJQANCHMSA-N 2 0 319.468 2.820 20 0 DFADRP C[N@@H+]1CCC[C@@H]1CC[NH2+][C@H]1CCO[C@@H]1c1ccc(F)c(F)c1 ZINC000248999726 427074121 /nfs/dbraw/zinc/07/41/21/427074121.db2.gz IGFWWKGRKATDMT-XOKHGSTOSA-N 2 0 310.388 2.869 20 0 DFADRP CCO[C@@H]1C[C@H]([NH2+]C[C@H](C)C[NH+]2CCCCC2)C12CCOCC2 ZINC000249001124 427074312 /nfs/dbraw/zinc/07/43/12/427074312.db2.gz MZYWNSMZTYJAON-OKZBNKHCSA-N 2 0 324.509 2.672 20 0 DFADRP CC[N@@H+]1CC[C@@H](C[NH2+]C[C@H](C)Cc2ccc(OC)c(F)c2)C1 ZINC000249033382 427077639 /nfs/dbraw/zinc/07/76/39/427077639.db2.gz SWNQQFWCTOPUPB-ZBFHGGJFSA-N 2 0 308.441 2.944 20 0 DFADRP C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1CC[N@H+](C)Cc1ccccc1 ZINC000296114117 427079811 /nfs/dbraw/zinc/07/98/11/427079811.db2.gz XYVLHWWYUGGJSO-MJGOQNOKSA-N 2 0 301.478 2.677 20 0 DFADRP C[C@H](C[NH2+][C@@H]1CC[C@@H](Cc2ccccc2)C1)N1CC[NH+](C)CC1 ZINC000249105384 427088270 /nfs/dbraw/zinc/08/82/70/427088270.db2.gz LCJHVEAZCJLOKE-YZGWKJHDSA-N 2 0 315.505 2.623 20 0 DFADRP O[C@@H]1CC[N@H+](Cc2ccccc2C[NH2+][C@@H]2CC[C@@H]2C2CCC2)C1 ZINC000338009045 427090425 /nfs/dbraw/zinc/09/04/25/427090425.db2.gz FQGZXNMINWQAEW-VAMGGRTRSA-N 2 0 314.473 2.922 20 0 DFADRP CC(C)[N@H+](C)Cc1ccccc1CNC(=O)CC[C@H]1CCC[NH2+]1 ZINC000292107177 427090537 /nfs/dbraw/zinc/09/05/37/427090537.db2.gz OZTUUZGYGUOHAC-GOSISDBHSA-N 2 0 317.477 2.675 20 0 DFADRP C[C@@H](Cc1ccccc1F)[NH2+]CCCC[N@@H+]1CCC[C@H]1CO ZINC000249201981 427097802 /nfs/dbraw/zinc/09/78/02/427097802.db2.gz UEHWKYUYKDTUNW-RDJZCZTQSA-N 2 0 308.441 2.583 20 0 DFADRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@@H]1CCCc2c(O)cccc21 ZINC000283949864 427105494 /nfs/dbraw/zinc/10/54/94/427105494.db2.gz FRPVXAWRQZFGEB-RHSMWYFYSA-N 2 0 306.450 2.716 20 0 DFADRP COc1cccc([C@H](C[NH2+][C@@H]2C[C@H](C)[N@H+](C)C[C@@H]2C)N(C)C)c1 ZINC000249319644 427106869 /nfs/dbraw/zinc/10/68/69/427106869.db2.gz PVHPHNNCYTUWBV-SAKMYQHLSA-N 2 0 319.493 2.616 20 0 DFADRP Cc1c([C@@H](C)[NH2+]CCCC[NH+](C)C)nnn1-c1ccc(C)cc1 ZINC000268811079 427125715 /nfs/dbraw/zinc/12/57/15/427125715.db2.gz AWUQSBWXKDBNGX-OAHLLOKOSA-N 2 0 315.465 2.877 20 0 DFADRP C[C@@H]([NH2+]CCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1)c1cccc(O)c1 ZINC000249606596 427134463 /nfs/dbraw/zinc/13/44/63/427134463.db2.gz RIWOLJXUPCDYAR-OWCLPIDISA-N 2 0 306.450 2.932 20 0 DFADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1N[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000268876757 427137419 /nfs/dbraw/zinc/13/74/19/427137419.db2.gz IYVWDGMMYJXDNR-BWPNAZKDSA-N 2 0 315.505 2.969 20 0 DFADRP C[C@H]([NH2+]CCCC[N@@H+]1CCC[C@H]1CO)c1ccc(F)cc1F ZINC000268929653 427137510 /nfs/dbraw/zinc/13/75/10/427137510.db2.gz QIZKNDCRPYBYOJ-ZFWWWQNUSA-N 2 0 312.404 2.852 20 0 DFADRP C[C@@H](CCCO)C[NH2+][C@@H](C)c1ccc(OCC[NH+](C)C)cc1 ZINC000296327538 427149639 /nfs/dbraw/zinc/14/96/39/427149639.db2.gz HCPSQJNIKMLDAH-HOTGVXAUSA-N 2 0 308.466 2.686 20 0 DFADRP Cn1nccc1C[NH2+]C1CCC([N@H+](C)Cc2ccccc2)CC1 ZINC000284206225 427153502 /nfs/dbraw/zinc/15/35/02/427153502.db2.gz SLEFNZRVEBWZCC-UHFFFAOYSA-N 2 0 312.461 2.953 20 0 DFADRP CC[N@H+](Cc1ccc(C(=O)N[C@@](C)(C[NH3+])C(C)C)cc1)C1CC1 ZINC000158266348 271074250 /nfs/dbraw/zinc/07/42/50/271074250.db2.gz UNSAGVCNUYGBNP-IBGZPJMESA-N 2 0 317.477 2.774 20 0 DFADRP C[C@H](CC[NH+](C)C)[NH2+]C[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000227658555 271237566 /nfs/dbraw/zinc/23/75/66/271237566.db2.gz RHWIMFZABFLCNF-HUUCEWRRSA-N 2 0 313.486 2.563 20 0 DFADRP C[NH2+]Cc1ccccc1NC(=O)[C@H](C)N1CCc2ccccc2C1 ZINC000237153576 271245991 /nfs/dbraw/zinc/24/59/91/271245991.db2.gz FYSHZCZAFAOBCD-HNNXBMFYSA-N 2 0 323.440 2.791 20 0 DFADRP C[C@H]1CCC[N@H+](Cc2ccc(NC(=O)C(C)(C)C[NH3+])cc2)C1 ZINC000237503177 271249355 /nfs/dbraw/zinc/24/93/55/271249355.db2.gz KHKIPLQXCSLRLP-AWEZNQCLSA-N 2 0 303.450 2.842 20 0 DFADRP C[C@@H](C[NH2+][C@@H]1CC[C@@H](C)c2ccccc21)N1CC[NH+](C)CC1 ZINC000246855613 271261661 /nfs/dbraw/zinc/26/16/61/271261661.db2.gz BQTCSMNLZTUJQW-JTDSTZFVSA-N 2 0 301.478 2.851 20 0 DFADRP C[NH+]1CCC([C@H]2CC[N@H+](Cc3cccc4c3OCCO4)C2)CC1 ZINC000270473614 271293227 /nfs/dbraw/zinc/29/32/27/271293227.db2.gz NKHZKRLDYKXWRN-INIZCTEOSA-N 2 0 316.445 2.622 20 0 DFADRP C[C@H]1C[C@H](C)C[NH+](CCCC[NH2+]Cc2cn(C(C)(C)C)nn2)C1 ZINC000190773575 427179023 /nfs/dbraw/zinc/17/90/23/427179023.db2.gz JTLPNPFUQFCULU-HOTGVXAUSA-N 2 0 321.513 2.881 20 0 DFADRP CC[N@@H+]1CC[C@@H](C[NH2+][C@H](Cc2ccccn2)c2cccnc2)C1 ZINC000338218760 427198348 /nfs/dbraw/zinc/19/83/48/427198348.db2.gz WBGLJKWQOZSQPF-QFBILLFUSA-N 2 0 310.445 2.692 20 0 DFADRP CC[N@@H+]1CC[C@@H](C[NH2+][C@@H](Cc2ccccn2)c2cccnc2)C1 ZINC000338218759 427198946 /nfs/dbraw/zinc/19/89/46/427198946.db2.gz WBGLJKWQOZSQPF-LPHOPBHVSA-N 2 0 310.445 2.692 20 0 DFADRP c1ccc([C@@H]2OCC[C@H]2C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000253336059 427199531 /nfs/dbraw/zinc/19/95/31/427199531.db2.gz HWUKPECPGOSWPY-RDGPPVDQSA-N 2 0 300.446 2.981 20 0 DFADRP CC[C@@H]([NH2+]CC1CCN(c2cc[nH+]cc2)CC1)c1nccn1C ZINC000183160692 427214176 /nfs/dbraw/zinc/21/41/76/427214176.db2.gz RZZGJVNJOJHVKQ-QGZVFWFLSA-N 2 0 313.449 2.772 20 0 DFADRP Cc1nn(-c2ccccn2)c(Cl)c1C[NH2+]CCCC[NH+](C)C ZINC000285397677 427220628 /nfs/dbraw/zinc/22/06/28/427220628.db2.gz IALNPILSMKOXJN-UHFFFAOYSA-N 2 0 321.856 2.661 20 0 DFADRP CC[NH+](CC)CC1CCN(Cc2ncnn2C(C)(C)C)CC1 ZINC000338261882 427221491 /nfs/dbraw/zinc/22/14/91/427221491.db2.gz KQHNPDYTQSHALA-UHFFFAOYSA-N 2 0 307.486 2.587 20 0 DFADRP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@@H+]2C[C@H]1CCCC(F)(F)C1 ZINC000338284018 427234949 /nfs/dbraw/zinc/23/49/49/427234949.db2.gz JBYROFVWVCECCE-JJXSEGSLSA-N 2 0 316.436 2.995 20 0 DFADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]CCSC(C)C)[C@@H](C)C1 ZINC000338287227 427236742 /nfs/dbraw/zinc/23/67/42/427236742.db2.gz HLOUWIYDPPZCRY-HOTGVXAUSA-N 2 0 302.528 2.855 20 0 DFADRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@H](C)c1cccc(F)c1F ZINC000183279978 427237944 /nfs/dbraw/zinc/23/79/44/427237944.db2.gz JWBPBFGIKUUYDH-CHWSQXEVSA-N 2 0 300.393 2.972 20 0 DFADRP CN(C[C@@H](O)c1c(F)cccc1F)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000285479481 427244741 /nfs/dbraw/zinc/24/47/41/427244741.db2.gz LDIIHEKXBZFVLH-TUURBPCVSA-N 2 0 310.388 2.555 20 0 DFADRP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCN(c3ccc(Cl)cc3)C2)CCN1C ZINC000183334278 427248985 /nfs/dbraw/zinc/24/89/85/427248985.db2.gz FSWQMBSJDCJMJM-VNQPRFMTSA-N 2 0 307.869 2.991 20 0 DFADRP CCOc1ccc(C[NH2+]CCC[N@@H+]2CCCO[C@H](C)C2)cc1 ZINC000277607389 427258232 /nfs/dbraw/zinc/25/82/32/427258232.db2.gz AMQJFOZIUZFCSH-MRXNPFEDSA-N 2 0 306.450 2.676 20 0 DFADRP Cc1c([C@@H](C)[NH2+]CCCN2C[C@@H](C)O[C@@H](C)C2)cnn1C(C)C ZINC000191139444 427264783 /nfs/dbraw/zinc/26/47/83/427264783.db2.gz QZISSFTUCYSXAS-OWCLPIDISA-N 2 0 322.497 2.922 20 0 DFADRP COc1ccc(CN[C@@H](C)CC[NH+](C)C)c(Br)c1 ZINC000285555782 427271288 /nfs/dbraw/zinc/27/12/88/427271288.db2.gz UZFFYFCMKNIACS-NSHDSACASA-N 2 0 315.255 2.888 20 0 DFADRP CC[NH+](CC)CCC[N@@H+]1CCC[C@]1(CO)Cc1ccccc1 ZINC000338367556 427281574 /nfs/dbraw/zinc/28/15/74/427281574.db2.gz UICGCBOHBQJZNS-LJQANCHMSA-N 2 0 304.478 2.788 20 0 DFADRP CC[N@@H+]1CC[C@@H](C[NH2+][C@H](C)Cc2ccc(OC)c(OC)c2C)C1 ZINC000285744921 427325670 /nfs/dbraw/zinc/32/56/70/427325670.db2.gz RIZZBIQRGBBLIU-ZBFHGGJFSA-N 2 0 320.477 2.875 20 0 DFADRP C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)c1ccc2c[nH+]cn2c1 ZINC000285788870 427337885 /nfs/dbraw/zinc/33/78/85/427337885.db2.gz XHQUEWYVRIQBEW-OAHLLOKOSA-N 2 0 322.412 2.585 20 0 DFADRP COCCSCCC[N@H+](C)CCCN(C)Cc1ccco1 ZINC000285798055 427341085 /nfs/dbraw/zinc/34/10/85/427341085.db2.gz VDHWEQYGKXYDEN-UHFFFAOYSA-N 2 0 314.495 2.803 20 0 DFADRP C[C@@H]([NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1)c1ccc(C(=O)N(C)C)cc1 ZINC000293519315 427350403 /nfs/dbraw/zinc/35/04/03/427350403.db2.gz UGFZDAXQIVJSAP-CABCVRRESA-N 2 0 315.461 2.523 20 0 DFADRP CC(C)c1ccc(C[N@@H+]2CCCC[C@@H]2CNC(=O)CC[NH3+])cc1 ZINC000262076817 427350832 /nfs/dbraw/zinc/35/08/32/427350832.db2.gz SSFSQJDYZSYKCS-GOSISDBHSA-N 2 0 317.477 2.630 20 0 DFADRP CC[C@](C)(O)C[N@@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000285612297 427289362 /nfs/dbraw/zinc/28/93/62/427289362.db2.gz QECQLIYQQNESFL-OALUTQOASA-N 2 0 302.462 2.745 20 0 DFADRP C[C@@H]1C[C@H](c2ccccc2)[C@H](C)[N@@H+]1C[C@H](O)CN(C)C1CC1 ZINC000296989987 427296579 /nfs/dbraw/zinc/29/65/79/427296579.db2.gz ZLYWHSVUPFJOBX-OHQAAIJDSA-N 2 0 302.462 2.708 20 0 DFADRP COc1cc(CN(CC[C@@H]2CCC[N@@H+]2C)C2CC2)ccc1O ZINC000271033109 427378845 /nfs/dbraw/zinc/37/88/45/427378845.db2.gz QXVCCGWZLVECEA-HNNXBMFYSA-N 2 0 304.434 2.850 20 0 DFADRP FCCCC[NH+]1CCN([C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000286000169 427398655 /nfs/dbraw/zinc/39/86/55/427398655.db2.gz OURXZROSXJZLSU-IBGZPJMESA-N 2 0 319.468 2.628 20 0 DFADRP C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)[C@@H]2CCCC[C@@]2(C)[NH3+])C1 ZINC000263055791 427403664 /nfs/dbraw/zinc/40/36/64/427403664.db2.gz UYYVFJWOROMVFR-RVKKMQEKSA-N 2 0 309.498 2.521 20 0 DFADRP CCC[N@H+](CC)Cc1ccc(C(=O)NC[C@@H](C)C[NH+](C)C)cc1 ZINC000293728294 427417556 /nfs/dbraw/zinc/41/75/56/427417556.db2.gz KLDRGFVLLXLWLG-MRXNPFEDSA-N 2 0 319.493 2.846 20 0 DFADRP CCCCNC(=O)[C@H]1CC[C@@H](C)[N@H+](CCC[NH+](CC)CC)C1 ZINC000191462678 427355868 /nfs/dbraw/zinc/35/58/68/427355868.db2.gz CEDKHAJYSHOWLA-SJORKVTESA-N 2 0 311.514 2.735 20 0 DFADRP CCC[C@@H](C)NC(=O)[C@H]1CCC[N@H+](CCC[NH+](CC)CC)C1 ZINC000191466585 427355896 /nfs/dbraw/zinc/35/58/96/427355896.db2.gz QFEJUXUCNTYKHK-SJORKVTESA-N 2 0 311.514 2.735 20 0 DFADRP C[C@@H](O)C[NH2+][C@@H]1CCCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000286073573 427418049 /nfs/dbraw/zinc/41/80/49/427418049.db2.gz LERCVDCGDRRSTO-XGXHKWSGSA-N 2 0 302.462 2.648 20 0 DFADRP COCC[N@H+](C)CCC[NH2+][C@H]1CCSc2ccc(OC)cc21 ZINC000191494987 427361001 /nfs/dbraw/zinc/36/10/01/427361001.db2.gz CZDWKTYMFYHTTH-INIZCTEOSA-N 2 0 324.490 2.790 20 0 DFADRP CC(C)c1ccc([C@H](C)[NH+]2CCN([C@@H]3CC[NH2+]C3)CC2)cc1 ZINC000262515390 427361734 /nfs/dbraw/zinc/36/17/34/427361734.db2.gz NKYFGOJTDIKDLD-QFBILLFUSA-N 2 0 301.478 2.851 20 0 DFADRP C[NH+](C)CCCOc1ccc(C[NH2+][C@@H]2CCOC2(C)C)cc1 ZINC000293565233 427364985 /nfs/dbraw/zinc/36/49/85/427364985.db2.gz DDKUEMQSBZLHHM-QGZVFWFLSA-N 2 0 306.450 2.674 20 0 DFADRP CCC[N@H+](C)C[C@@H]1CCN(C(=O)[C@H](C)[C@@H]([NH3+])c2ccccc2)C1 ZINC000262675492 427366232 /nfs/dbraw/zinc/36/62/32/427366232.db2.gz RRDZCLMARPOORL-SOLBZPMBSA-N 2 0 317.477 2.513 20 0 DFADRP C[C@@H]1C[C@@H]([NH2+]C[C@@](C)(O)C(F)(F)F)CN1Cc1ccccc1 ZINC000271200221 427447697 /nfs/dbraw/zinc/44/76/97/427447697.db2.gz IPPPSPQMQFTSQO-BPLDGKMQSA-N 2 0 316.367 2.552 20 0 DFADRP CO[C@H](C[NH2+][C@H](C)c1cccc(OCC[NH+](C)C)c1)C1CC1 ZINC000293840139 427456157 /nfs/dbraw/zinc/45/61/57/427456157.db2.gz XRWPMZFZKINHSA-RDTXWAMCSA-N 2 0 306.450 2.703 20 0 DFADRP COc1ccc(C[C@@H](C)[NH2+][C@H](C)CC[NH+](C)C)c(C)c1OC ZINC000286222710 427458934 /nfs/dbraw/zinc/45/89/34/427458934.db2.gz SLPMCTYNSQKPBK-ZIAGYGMSSA-N 2 0 308.466 2.873 20 0 DFADRP C[C@@H](NC1CC[NH+](C2CC2)CC1)[C@@H](c1ccccc1)[NH+](C)C ZINC000297814361 427462079 /nfs/dbraw/zinc/46/20/79/427462079.db2.gz YIVIUPMTSUTFGS-BEFAXECRSA-N 2 0 301.478 2.894 20 0 DFADRP C[C@H]([NH3+])[C@H](C)C(=O)Nc1ccc(C[NH+]2CCC(C)CC2)cc1 ZINC000192093980 427479565 /nfs/dbraw/zinc/47/95/65/427479565.db2.gz ICLBTNPJFVFSHC-GJZGRUSLSA-N 2 0 303.450 2.840 20 0 DFADRP C[C@@H]([NH3+])[C@H](C)C(=O)Nc1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000192093998 427479749 /nfs/dbraw/zinc/47/97/49/427479749.db2.gz VPJFXNZMYINOOU-SOUVJXGZSA-N 2 0 303.450 2.840 20 0 DFADRP COC(=O)c1csc([C@@H](C)[NH2+]CCC2CC[NH+](C)CC2)c1 ZINC000286087118 427421650 /nfs/dbraw/zinc/42/16/50/427421650.db2.gz MODMTZQPAGLGLN-GFCCVEGCSA-N 2 0 310.463 2.917 20 0 DFADRP CC[C@H](C)C[NH+]1CCN([C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000286086328 427422109 /nfs/dbraw/zinc/42/21/09/427422109.db2.gz SPDVDIPHJWXIFX-AZUAARDMSA-N 2 0 315.505 2.925 20 0 DFADRP COc1cccc(OC)c1C[NH2+]CC1CC[NH+](C2CC2)CC1 ZINC000286128310 427432440 /nfs/dbraw/zinc/43/24/40/427432440.db2.gz VAHBTEMTVNPGQP-UHFFFAOYSA-N 2 0 304.434 2.668 20 0 DFADRP C[N@@H+]1CCC[C@@H]1CCN1CCN(c2cc[nH+]c3ccccc32)CC1 ZINC000297714272 427436047 /nfs/dbraw/zinc/43/60/47/427436047.db2.gz RFUAXUWWFSASGY-QGZVFWFLSA-N 2 0 324.472 2.841 20 0 DFADRP CC(C)CN1CCC[C@@H]1C[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000297723069 427438198 /nfs/dbraw/zinc/43/81/98/427438198.db2.gz RXQMWRNKZAUCNP-LJQANCHMSA-N 2 0 316.493 2.760 20 0 DFADRP C[C@@H]1C[N@H+](CCC[NH2+][C@H]2CCCOc3ccccc32)CCCO1 ZINC000278608228 427445996 /nfs/dbraw/zinc/44/59/96/427445996.db2.gz RDRJGBHNUZBNMH-AEFFLSMTSA-N 2 0 318.461 2.991 20 0 DFADRP CCC[C@@](C)([NH3+])C(=O)NCc1cccc(C[N@H+](C)C(C)C)c1 ZINC000263250069 427446267 /nfs/dbraw/zinc/44/62/67/427446267.db2.gz JGZDRLSGBONASK-GOSISDBHSA-N 2 0 305.466 2.661 20 0 DFADRP C[NH+](C)CCOc1cc(C[NH2+][C@@H]2CCC[C@@H]2CCF)ccn1 ZINC000286318459 427491008 /nfs/dbraw/zinc/49/10/08/427491008.db2.gz XUQNUOURYBHDLN-HZPDHXFCSA-N 2 0 309.429 2.640 20 0 DFADRP Cc1ccncc1CCC[N@@H+]1CCCNC(=O)[C@H]1CC(C)C ZINC000293934820 427494488 /nfs/dbraw/zinc/49/44/88/427494488.db2.gz NTHRVALLMWDROL-QGZVFWFLSA-N 2 0 303.450 2.559 20 0 DFADRP CC[NH+](CC)CCOCC[NH2+][C@@H]1CCC[C@@H]([C@H]2CCOC2)C1 ZINC000341382958 271817276 /nfs/dbraw/zinc/81/72/76/271817276.db2.gz QVCRPLREZNDRSP-FGTMMUONSA-N 2 0 312.498 2.530 20 0 DFADRP Cn1cncc1CC[N@@H+]1CC[C@@H](Oc2ccc(Cl)cc2)C1 ZINC000298109779 427521274 /nfs/dbraw/zinc/52/12/74/427521274.db2.gz OEKOPJHFDDSLKG-MRXNPFEDSA-N 2 0 305.809 2.769 20 0 DFADRP c1ccc2c(c1)CC[N@@H+](CCCNC1CC[NH+](C3CC3)CC1)C2 ZINC000298218883 427537325 /nfs/dbraw/zinc/53/73/25/427537325.db2.gz AFKLQZPIKUPBML-UHFFFAOYSA-N 2 0 313.489 2.651 20 0 DFADRP c1ccc(C[N@@H+]2CC[C@H](N3CC[C@@H]([NH+]4CCCCC4)C3)C2)cc1 ZINC000271437396 427539393 /nfs/dbraw/zinc/53/93/93/427539393.db2.gz RCASYOLNUQGKCW-VQTJNVASSA-N 2 0 313.489 2.821 20 0 DFADRP Cc1nccn1C[C@H](C)C[NH2+]Cc1ccnn1-c1ccccc1 ZINC000279069721 427548779 /nfs/dbraw/zinc/54/87/79/427548779.db2.gz FYYHXSPACVWCJA-OAHLLOKOSA-N 2 0 309.417 2.803 20 0 DFADRP C[C@@H]1[C@@H](NC2CC[NH+](C3CC3)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000294314329 427620830 /nfs/dbraw/zinc/62/08/30/427620830.db2.gz WCQDRHXTOKVQAB-UZLBHIALSA-N 2 0 313.489 2.866 20 0 DFADRP CC[C@@H](O)C[N@@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000339008965 427621270 /nfs/dbraw/zinc/62/12/70/427621270.db2.gz DOGLRPMVCKUDJR-MOPGFXCFSA-N 2 0 302.462 2.745 20 0 DFADRP Cc1ccc2c(c1)[C@H]([NH2+]C1CC[NH+]([C@@H]3CCC[C@H]3O)CC1)CC2 ZINC000271485088 427557517 /nfs/dbraw/zinc/55/75/17/427557517.db2.gz JORIRVZXUZRQRW-VAMGGRTRSA-N 2 0 314.473 2.950 20 0 DFADRP Cc1ccc2c(c1)[C@H]([NH2+]C1CC[NH+]([C@@H]3CCC[C@@H]3O)CC1)CC2 ZINC000271485085 427559347 /nfs/dbraw/zinc/55/93/47/427559347.db2.gz JORIRVZXUZRQRW-AQNXPRMDSA-N 2 0 314.473 2.950 20 0 DFADRP c1cncc([C@H]2OCC[C@@H]2[NH2+]C2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000294144601 427562421 /nfs/dbraw/zinc/56/24/21/427562421.db2.gz GSGAREPIJHGHCS-RBUKOAKNSA-N 2 0 324.428 2.565 20 0 DFADRP C[C@@H]1Cc2ccccc2[C@@H]1[NH2+]C1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000271513522 427566579 /nfs/dbraw/zinc/56/65/79/427566579.db2.gz ODJMHFBOUSADMA-ZVEHZALQSA-N 2 0 314.473 2.887 20 0 DFADRP CC(C)C[C@H](C[NH2+]C1CCN(c2cc[nH+]cc2)CC1)N(C)C ZINC000294165642 427571635 /nfs/dbraw/zinc/57/16/35/427571635.db2.gz IUEFRAUIOSQKGC-GOSISDBHSA-N 2 0 304.482 2.616 20 0 DFADRP Cc1cc(C[NH3+])cc(NC(=O)N2CC[NH+](C3CCCC3)CC2)c1 ZINC000332305793 427574201 /nfs/dbraw/zinc/57/42/01/427574201.db2.gz MVSVCKSGCBTIDQ-UHFFFAOYSA-N 2 0 316.449 2.546 20 0 DFADRP CCC(CC)(CC)[NH2+]CC(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000184987268 427575176 /nfs/dbraw/zinc/57/51/76/427575176.db2.gz RPTGVDSVADUMJT-QGZVFWFLSA-N 2 0 319.493 2.964 20 0 DFADRP C[C@@H](CN1CC[NH+](C)CC1)[NH2+][C@@H](c1ccc(F)cc1)C1CC1 ZINC000271621839 427581826 /nfs/dbraw/zinc/58/18/26/427581826.db2.gz BTXJMMGXMSGWIH-KBXCAEBGSA-N 2 0 305.441 2.502 20 0 DFADRP C[C@H](NC1CC[NH+](CCc2ccccc2)CC1)c1ccnn1C ZINC000192660564 427582946 /nfs/dbraw/zinc/58/29/46/427582946.db2.gz VBRMHQQRGNKXMF-INIZCTEOSA-N 2 0 312.461 2.778 20 0 DFADRP COC1(CC[NH+]2CCC(C[NH+]3C[C@H](C)O[C@@H](C)C3)CC2)CCC1 ZINC000338952822 427583441 /nfs/dbraw/zinc/58/34/41/427583441.db2.gz DZEBNWHFQNQEQE-IRXDYDNUSA-N 2 0 324.509 2.767 20 0 DFADRP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC1=CC[NH+](C)CC1 ZINC000271865932 427592649 /nfs/dbraw/zinc/59/26/49/427592649.db2.gz LLEQZWALNBWPFF-PXNSSMCTSA-N 3 0 313.489 2.749 20 0 DFADRP CC[NH+]1CCC(N[C@@H]2CC[N@H+](Cc3ccccc3)[C@H]2C)CC1 ZINC000287393863 427598058 /nfs/dbraw/zinc/59/80/58/427598058.db2.gz QIVKEDSLQSFNET-QFBILLFUSA-N 2 0 301.478 2.723 20 0 DFADRP C[C@H](C[NH2+]C1CCN(c2cc[nH+]cc2)CC1)N1CCC[C@H](C)C1 ZINC000298434681 427606342 /nfs/dbraw/zinc/60/63/42/427606342.db2.gz NEVXBUDGECUHQU-DLBZAZTESA-N 2 0 316.493 2.760 20 0 DFADRP CC(C)Oc1cccc([C@@H](O)C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)c1 ZINC000192876504 427626947 /nfs/dbraw/zinc/62/69/47/427626947.db2.gz IGEVWRFRBLVUAR-PHSGOXPASA-N 2 0 318.461 2.722 20 0 DFADRP CC[N@H+](C)[C@H](C(=O)NCCC[NH+](C)C(C)C)c1ccccc1 ZINC000264026472 427638450 /nfs/dbraw/zinc/63/84/50/427638450.db2.gz LLYZTMCGJTTXTR-KRWDZBQOSA-N 2 0 305.466 2.526 20 0 DFADRP C[C@@H]1CN(CCC[NH2+]Cc2cc(Cl)cs2)C[C@@H](C)O1 ZINC000192989881 427646947 /nfs/dbraw/zinc/64/69/47/427646947.db2.gz DQGQIXGZKYMFSQ-VXGBXAGGSA-N 2 0 302.871 2.990 20 0 DFADRP CCC[NH2+][C@@H](C)C(=O)NC[C@H](c1ccc(C)cc1)[NH+]1CCCC1 ZINC000294719303 427647269 /nfs/dbraw/zinc/64/72/69/427647269.db2.gz BRVZHXWITNZJPK-FUHWJXTLSA-N 2 0 317.477 2.636 20 0 DFADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCC[NH2+]Cc2cn3cccnc3n2)C1 ZINC000298561912 427647223 /nfs/dbraw/zinc/64/72/23/427647223.db2.gz WBEQGSCKYCEUMY-IYBDPMFKSA-N 2 0 315.465 2.577 20 0 DFADRP CC[NH+]1CCN(C[C@H](C)C[NH2+]Cc2sccc2Cl)CC1 ZINC000193085455 427663056 /nfs/dbraw/zinc/66/30/56/427663056.db2.gz WRSFTDIYYFKBIH-CYBMUJFWSA-N 2 0 315.914 2.765 20 0 DFADRP COC1(CC[NH+]2CCC(CCC[NH+]3CCOCC3)CC2)CCC1 ZINC000339079938 427665064 /nfs/dbraw/zinc/66/50/64/427665064.db2.gz OQTZFCYISROYPS-UHFFFAOYSA-N 2 0 324.509 2.770 20 0 DFADRP COCC[N@H+](C)CCC[NH2+][C@@H]1C[C@@H](Oc2ccccc2)C1(C)C ZINC000342624296 272032070 /nfs/dbraw/zinc/03/20/70/272032070.db2.gz IGVISWCMYWXMNW-QZTJIDSGSA-N 2 0 320.477 2.790 20 0 DFADRP CCC1CC([NH2+]CCN2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000342622236 272032414 /nfs/dbraw/zinc/03/24/14/272032414.db2.gz DNLRXSVXJHGMKL-UHFFFAOYSA-N 2 0 301.478 2.582 20 0 DFADRP CC(C)[C@H](C(=O)N1C[C@H]([NH+]2CCCC2)C[C@@H]1C)[NH+]1CCCCC1 ZINC000342749303 272049521 /nfs/dbraw/zinc/04/95/21/272049521.db2.gz YSGWLNHASVJWIP-RCCFBDPRSA-N 2 0 321.509 2.582 20 0 DFADRP C[C@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)C1(C[NH+](C)C)CCCCC1 ZINC000342763362 272052186 /nfs/dbraw/zinc/05/21/86/272052186.db2.gz ZJJNQEZPRIHCHJ-DLBZAZTESA-N 2 0 321.509 2.584 20 0 DFADRP CCN1C[C@@H](C)[C@H]([NH2+]Cc2ccccc2C[NH+](CC)CC)C1 ZINC000343032863 272077068 /nfs/dbraw/zinc/07/70/68/272077068.db2.gz IBLCFBLBMMQEEV-VQIMIIECSA-N 2 0 303.494 2.958 20 0 DFADRP CCN1C[C@H](C)[C@H]([NH2+]Cc2ccccc2C[NH+](CC)CC)C1 ZINC000343032861 272077622 /nfs/dbraw/zinc/07/76/22/272077622.db2.gz IBLCFBLBMMQEEV-QFBILLFUSA-N 2 0 303.494 2.958 20 0 DFADRP C[NH+](C)C1CCN(CC[NH2+][C@H]2CCc3ccc(Cl)cc32)CC1 ZINC000343093430 272085093 /nfs/dbraw/zinc/08/50/93/272085093.db2.gz AKFJYRDOPKNLCH-SFHVURJKSA-N 2 0 321.896 2.943 20 0 DFADRP OC[C@H]1CCC[N@@H+]1CCCC[NH2+]Cc1cc(Cl)cs1 ZINC000193097183 427666378 /nfs/dbraw/zinc/66/63/78/427666378.db2.gz HTFMNGMMGAYAJM-CYBMUJFWSA-N 2 0 302.871 2.728 20 0 DFADRP OC[C@@H]1CCC[N@@H+]1CCCC[NH2+]Cc1sccc1Cl ZINC000193097135 427667164 /nfs/dbraw/zinc/66/71/64/427667164.db2.gz RJPQAVCOROYBIP-LBPRGKRZSA-N 2 0 302.871 2.728 20 0 DFADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@@H](O)c2cc(F)cc(Cl)c2)[C@@H](C)C1 ZINC000279452343 427676811 /nfs/dbraw/zinc/67/68/11/427676811.db2.gz IHNPHLRIZBKAAO-KNXALSJPSA-N 2 0 314.832 2.832 20 0 DFADRP CC(C)[NH+](CCC[NH2+]C[C@@H]1CCO[C@H]1c1ccnn1C)C(C)C ZINC000343351825 272125504 /nfs/dbraw/zinc/12/55/04/272125504.db2.gz DTTNWKFIPFVROO-FUHWJXTLSA-N 2 0 322.497 2.596 20 0 DFADRP CC(C)[NH+](CCC[NH2+]C[C@H]1CCO[C@@H]1c1ccnn1C)C(C)C ZINC000343351824 272125917 /nfs/dbraw/zinc/12/59/17/272125917.db2.gz DTTNWKFIPFVROO-AEFFLSMTSA-N 2 0 322.497 2.596 20 0 DFADRP [NH3+]Cc1ccc(NC(=O)c2ccccc2CC2CC[NH2+]CC2)cc1 ZINC000343515456 272164571 /nfs/dbraw/zinc/16/45/71/272164571.db2.gz LDXABBULDLVKPS-UHFFFAOYSA-N 2 0 323.440 2.940 20 0 DFADRP C[N@@H+](CCCc1ccc2c(c1)CCO2)CCC[NH+]1CCCC1 ZINC000343600972 272180631 /nfs/dbraw/zinc/18/06/31/272180631.db2.gz IXWPHJFUYHQJCN-UHFFFAOYSA-N 2 0 302.462 2.972 20 0 DFADRP C[N@H+](CCCN1CC[NH+](C)CC1)[C@H]1CCc2ccc(Cl)cc21 ZINC000343752780 272212322 /nfs/dbraw/zinc/21/23/22/272212322.db2.gz RURAXWKFWMQQDH-SFHVURJKSA-N 2 0 321.896 2.897 20 0 DFADRP CC(C)(C)[C@H](O)C[N@@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000343937905 272240393 /nfs/dbraw/zinc/24/03/93/272240393.db2.gz KZQLWOVJTRKNCO-QUCCMNQESA-N 2 0 316.489 2.991 20 0 DFADRP C[C@H](C[NH2+]CCCc1ccc2c(c1)CCO2)C[NH+]1CCCC1 ZINC000193272288 427680843 /nfs/dbraw/zinc/68/08/43/427680843.db2.gz UWZGCIGAHRQECO-MRXNPFEDSA-N 2 0 302.462 2.876 20 0 DFADRP CN(CCC[N@H+](C)Cc1ccc(Cl)c(F)c1)CC[NH+](C)C ZINC000344023611 272250451 /nfs/dbraw/zinc/25/04/51/272250451.db2.gz AZWJRDMZUMMYFA-UHFFFAOYSA-N 2 0 315.864 2.794 20 0 DFADRP CCO[C@@H]1C[C@H]([NH2+]CCC[N@H+](C)CCOC)C12CCCCC2 ZINC000344029247 272251622 /nfs/dbraw/zinc/25/16/22/272251622.db2.gz BQGQAEASCSICDR-DLBZAZTESA-N 2 0 312.498 2.672 20 0 DFADRP CCC[N@H+](CCN1CC[NH+](CC)CC1)Cc1cccc(C)c1 ZINC000344149818 272274626 /nfs/dbraw/zinc/27/46/26/272274626.db2.gz RXKDIWVCLUANGU-UHFFFAOYSA-N 2 0 303.494 2.845 20 0 DFADRP CC[NH+](CC)[C@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H](C)C1)c1ccco1 ZINC000344165472 272278317 /nfs/dbraw/zinc/27/83/17/272278317.db2.gz ZGPVXWWRIOLJCT-ARFHVFGLSA-N 2 0 321.465 2.509 20 0 DFADRP C[NH+]1CCC(C[NH2+]Cc2cnc(-c3ccncc3)s2)CC1 ZINC000344185144 272282331 /nfs/dbraw/zinc/28/23/31/272282331.db2.gz CDGXASHFFOKOFZ-UHFFFAOYSA-N 2 0 302.447 2.637 20 0 DFADRP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+][C@H](CCO)c1ccccc1 ZINC000344216775 272290162 /nfs/dbraw/zinc/29/01/62/272290162.db2.gz VGMUQXCAGYDDJM-LJQANCHMSA-N 2 0 322.412 2.789 20 0 DFADRP C[C@H](c1ccccc1)[N@@H+]1CC[C@H](N[C@H]2CC[NH+](C)C[C@H]2C)C1 ZINC000344278128 272302883 /nfs/dbraw/zinc/30/28/83/272302883.db2.gz XBYXBEBOHFIPCO-FPAYPSAMSA-N 2 0 301.478 2.752 20 0 DFADRP CC(C)[C@H](O)C1(C[NH2+][C@@H]2CN(Cc3ccccc3)C[C@H]2C)CC1 ZINC000344293165 272306503 /nfs/dbraw/zinc/30/65/03/272306503.db2.gz HIYAYLIVGILYDY-QRQLOZEOSA-N 2 0 316.489 2.894 20 0 DFADRP C[C@@H]1CN(C2CC2)C[C@@H]1[NH2+][C@H]1CCO[C@H]1c1ccc(F)c(F)c1 ZINC000344297548 272307286 /nfs/dbraw/zinc/30/72/86/272307286.db2.gz BCYOQXFUTZHIMG-SZZJOZGLSA-N 2 0 322.399 2.867 20 0 DFADRP C[C@H](C(=O)NC[C@H](C1CCCCC1)[NH+](C)C)[NH+]1CCCCCC1 ZINC000344593463 272343269 /nfs/dbraw/zinc/34/32/69/272343269.db2.gz DLJCKLORWQKHKZ-SJLPKXTDSA-N 2 0 323.525 2.878 20 0 DFADRP C[N@@H+]1CCCC(C)(C)[C@H]1CNC(=O)[C@@H]1CCC[NH+]1C1CCCC1 ZINC000344662693 272353588 /nfs/dbraw/zinc/35/35/88/272353588.db2.gz KFVCWYUIEZAZRK-DLBZAZTESA-N 2 0 321.509 2.630 20 0 DFADRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+]Cc1cnc(C(C)(C)C)s1 ZINC000185875541 427722603 /nfs/dbraw/zinc/72/26/03/427722603.db2.gz ZDQLCDJTMGMLQZ-CQSZACIVSA-N 2 0 324.538 2.556 20 0 DFADRP COc1ncccc1C[N@@H+]1CC[C@@H](CNc2cccc(C)[nH+]2)C1 ZINC000193354344 427687372 /nfs/dbraw/zinc/68/73/72/427687372.db2.gz STTIYMFGPYRHNG-HNNXBMFYSA-N 2 0 312.417 2.728 20 0 DFADRP C[C@H]([NH2+]C[C@H](O)c1ccccc1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185678192 427689794 /nfs/dbraw/zinc/68/97/94/427689794.db2.gz XZELOUXRFLMRIM-IEZWGBDMSA-N 2 0 302.462 2.963 20 0 DFADRP CCc1noc(C2CCC([NH2+][C@@H]3CC[C@H]4C[NH2+]C[C@@H]4C3)CC2)n1 ZINC000333849528 427699788 /nfs/dbraw/zinc/69/97/88/427699788.db2.gz PTQJHLLOBXNORP-BEBHXBEKSA-N 2 0 318.465 2.636 20 0 DFADRP Cc1cc(Cl)cc(C[NH2+]C2CCN(CC[NH+](C)C)CC2)c1 ZINC000339181103 427719164 /nfs/dbraw/zinc/71/91/64/427719164.db2.gz MYVHVWQHISVPDV-UHFFFAOYSA-N 2 0 309.885 2.764 20 0 DFADRP COC(=O)CCC[C@@H]1CCC[C@@H]([NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)C1 ZINC000339180679 427719678 /nfs/dbraw/zinc/71/96/78/427719678.db2.gz DDTCBMOHXLXLNH-YESZJQIVSA-N 2 0 322.493 2.962 20 0 DFADRP CC(C)SCC[NH+]1CCN(CC[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC000336846808 427756938 /nfs/dbraw/zinc/75/69/38/427756938.db2.gz RAUAFZCLAVBVJZ-IRXDYDNUSA-N 2 0 313.555 2.618 20 0 DFADRP Cc1nccn1CC[N@H+]1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000336856186 427761423 /nfs/dbraw/zinc/76/14/23/427761423.db2.gz KWCLSKHWBGOCHD-GOSISDBHSA-N 2 0 304.482 2.635 20 0 DFADRP CC[NH+](CC)CCC[C@H](C)NC(=O)[C@@H]([NH3+])CC1CCCCC1 ZINC000336863071 427765280 /nfs/dbraw/zinc/76/52/80/427765280.db2.gz HSJKAFZDYQQUJN-RDJZCZTQSA-N 2 0 311.514 2.911 20 0 DFADRP C[C@@H]1CCC[C@@H](C[NH2+]C[C@H](O)CN2CCc3ccccc3C2)C1 ZINC000339546837 427791039 /nfs/dbraw/zinc/79/10/39/427791039.db2.gz LQSFVNONYHKAKI-HLIPFELVSA-N 2 0 316.489 2.822 20 0 DFADRP Cc1ccc(CCC[N@@H+]2C[C@@H](C[NH3+])[C@@H](c3ccccc3)C2)cn1 ZINC000339406881 427769219 /nfs/dbraw/zinc/76/92/19/427769219.db2.gz GZVHKZMOQWSACR-WOJBJXKFSA-N 2 0 309.457 2.997 20 0 DFADRP CCN(CCC[N@@H+]1CC[C@@]2(C1)CCC[NH+](C)C2)CC(F)(F)F ZINC000339427686 427773181 /nfs/dbraw/zinc/77/31/81/427773181.db2.gz JGNAOOPJYNZONK-HNNXBMFYSA-N 2 0 321.431 2.678 20 0 DFADRP CCN(C(=O)CN1CC[C@]2(C1)CCC[N@H+](C)C2)C1CCCCC1 ZINC000339433419 427774404 /nfs/dbraw/zinc/77/44/04/427774404.db2.gz KVNVJCRJEVGHES-LJQANCHMSA-N 2 0 321.509 2.585 20 0 DFADRP C[N@@H+]1CCC[C@]2(CC[NH+](Cc3cccc(-n4cccn4)c3)C2)C1 ZINC000339435999 427775318 /nfs/dbraw/zinc/77/53/18/427775318.db2.gz AFMUJHGGWAZZNV-IBGZPJMESA-N 2 0 310.445 2.790 20 0 DFADRP C[C@H](C(=O)N1CCC[N@H+](CC2CCC2)CC1)[NH+]1[C@H](C)CC[C@H]1C ZINC000339439573 427775778 /nfs/dbraw/zinc/77/57/78/427775778.db2.gz XAKCBIWQGXEAPY-BRWVUGGUSA-N 2 0 321.509 2.582 20 0 DFADRP CC[C@@H](C(=O)NC[C@H](C)[NH+](CC)CC)[N@H+](C)Cc1ccccc1 ZINC000339439045 427775991 /nfs/dbraw/zinc/77/59/91/427775991.db2.gz RFIVRVZKAAWZDZ-WMZOPIPTSA-N 2 0 319.493 2.744 20 0 DFADRP CCOc1cc2[nH+]ccc(N3CC[NH+](C)CC3)c2cc1OCC ZINC000301154802 427779210 /nfs/dbraw/zinc/77/92/10/427779210.db2.gz CLOGWIMZNQLLGW-UHFFFAOYSA-N 2 0 315.417 2.784 20 0 DFADRP COc1cc2[nH+]ccc(N3C[C@H]([NH+](C)C)[C@@H](C)C3)c2cc1OC ZINC000299029089 427741360 /nfs/dbraw/zinc/74/13/60/427741360.db2.gz TUTQDZHTWROJQG-LRDDRELGSA-N 2 0 315.417 2.638 20 0 DFADRP C[C@H]([NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]12)[C@@H]1CCOC1 ZINC000336656112 427745769 /nfs/dbraw/zinc/74/57/69/427745769.db2.gz KQHWMTLLADATQW-CJSSEVFESA-N 2 0 314.473 2.912 20 0 DFADRP C[C@H]([NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]12)[C@@H]1CCOC1 ZINC000336656117 427746181 /nfs/dbraw/zinc/74/61/81/427746181.db2.gz KQHWMTLLADATQW-FAJAVTLNSA-N 2 0 314.473 2.912 20 0 DFADRP C[C@H]([NH2+][C@@H]1C[C@H](O)C1(C)C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000336657503 427746703 /nfs/dbraw/zinc/74/67/03/427746703.db2.gz SAAGRGNFMNHMDF-HPBDAGMYSA-N 2 0 302.462 2.646 20 0 DFADRP c1ccc(C[NH+]2CC[C@H]3C[N@@H+](CC4CCOCC4)C[C@H]3C2)cc1 ZINC000336696229 427749626 /nfs/dbraw/zinc/74/96/26/427749626.db2.gz ARVVFCCILZWWEH-VQTJNVASSA-N 2 0 314.473 2.867 20 0 DFADRP CN(CC[NH+]1CCCCC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000336723942 427751068 /nfs/dbraw/zinc/75/10/68/427751068.db2.gz WUPFTHYFSAOJLY-LJQANCHMSA-N 2 0 301.478 2.679 20 0 DFADRP CC[C@H]([NH2+]C[C@H]1CC[N@H+](Cc2ccccc2)C1)[C@@H]1CCOC1 ZINC000336725085 427751111 /nfs/dbraw/zinc/75/11/11/427751111.db2.gz XPTKUZJYYSPYDE-QRVBRYPASA-N 2 0 302.462 2.913 20 0 DFADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)[C@H]2CCCC[C@@]2(C)[NH3+])C1 ZINC000345745832 272532381 /nfs/dbraw/zinc/53/23/81/272532381.db2.gz ATFSPKUUVRFTFF-SFNKJDCFSA-N 2 0 323.525 2.768 20 0 DFADRP OC(C[NH+]1CC[C@H](CC2CC2)C1)C[N@@H+]1CC[C@H](CC2CC2)C1 ZINC000339675106 427810150 /nfs/dbraw/zinc/81/01/50/427810150.db2.gz CCMUGFYTVXNGNO-QZTJIDSGSA-N 2 0 306.494 2.591 20 0 DFADRP OC(C[NH+]1CC[C@@H](CC2CC2)C1)C[N@@H+]1CC[C@@H](CC2CC2)C1 ZINC000339675109 427810330 /nfs/dbraw/zinc/81/03/30/427810330.db2.gz CCMUGFYTVXNGNO-ROUUACIJSA-N 2 0 306.494 2.591 20 0 DFADRP C[N@H+](CCCOc1ccc2c(c1)OCO2)CCC[NH+]1CCCC1 ZINC000337272701 427828914 /nfs/dbraw/zinc/82/89/14/427828914.db2.gz OPWDMFOPQTTWDZ-UHFFFAOYSA-N 2 0 320.433 2.602 20 0 DFADRP CC[C@H](C(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccccc1)[NH+](CC)CC ZINC000340377577 427833780 /nfs/dbraw/zinc/83/37/80/427833780.db2.gz UMESBHRFFYIYAX-KSZLIROESA-N 2 0 317.477 2.668 20 0 DFADRP CCc1cnccc1[C@H](C)[NH2+]CCCN1CC[NH+](C(C)C)CC1 ZINC000337312023 427838526 /nfs/dbraw/zinc/83/85/26/427838526.db2.gz DKZQJWZPBSOZRE-KRWDZBQOSA-N 2 0 318.509 2.711 20 0 DFADRP CCC[N@H+](C)CC(=O)NCC(C)(C)[NH2+][C@@H](C)c1ccccc1 ZINC000345673537 427854062 /nfs/dbraw/zinc/85/40/62/427854062.db2.gz HUKSBATVQFWROP-HNNXBMFYSA-N 2 0 305.466 2.574 20 0 DFADRP CC(C)[NH+]1CCC([N@H+](C)Cc2ccc(-n3cncn3)cc2)CC1 ZINC000349816593 427872031 /nfs/dbraw/zinc/87/20/31/427872031.db2.gz NVMGHDKIGLJDSR-UHFFFAOYSA-N 2 0 313.449 2.572 20 0 DFADRP COc1cc(C)c(C[C@@H](C)[NH2+][C@@H](C)CC[NH+](C)C)cc1OC ZINC000337380535 427875037 /nfs/dbraw/zinc/87/50/37/427875037.db2.gz IYTFJPOXKMHHRZ-LSDHHAIUSA-N 2 0 308.466 2.873 20 0 DFADRP C[C@H](O)C[N@H+](C)C1CC[NH+](C[C@H]2CCc3ccccc3C2)CC1 ZINC000359587545 427925470 /nfs/dbraw/zinc/92/54/70/427925470.db2.gz FCILMUGATARLKM-IRXDYDNUSA-N 2 0 316.489 2.569 20 0 DFADRP CCC[NH+]1CCN(c2ccccc2C[N@H+](CC)CCOC)CC1 ZINC000349852646 427879719 /nfs/dbraw/zinc/87/97/19/427879719.db2.gz FMWJENSAOIEYDA-UHFFFAOYSA-N 2 0 319.493 2.687 20 0 DFADRP C[NH+]1CCC(C)(C[NH2+]C2CCN(C(=O)CC(C)(C)C)CC2)CC1 ZINC000355766913 427881769 /nfs/dbraw/zinc/88/17/69/427881769.db2.gz LLUQPYORGQIXAV-UHFFFAOYSA-N 2 0 323.525 2.735 20 0 DFADRP C[C@@H]([NH2+]Cc1ccc(OCCC[NH+](C)C)cc1)[C@@H]1CCCOC1 ZINC000355774605 427886691 /nfs/dbraw/zinc/88/66/91/427886691.db2.gz OOKCNFCPGCZPGW-SJLPKXTDSA-N 2 0 320.477 2.922 20 0 DFADRP CC[C@H](C(=O)NC[C@H](c1ccc(C)cc1)[NH+](C)C)[NH+](CC)CC ZINC000345815550 427918524 /nfs/dbraw/zinc/91/85/24/427918524.db2.gz WHBALRDGNKQADL-QZTJIDSGSA-N 2 0 319.493 2.834 20 0 DFADRP CC[C@H](C(=O)N(CC[NH+](C)C)Cc1ccc(C)o1)[NH+](CC)CC ZINC000359584507 427923106 /nfs/dbraw/zinc/92/31/06/427923106.db2.gz DQSCTLKWCZWZJD-QGZVFWFLSA-N 2 0 323.481 2.599 20 0 DFADRP Cc1nn(C)c(C)c1C[NH2+][C@@H]1CCN(C)[C@@H](c2ccccc2)C1 ZINC000340216864 427955455 /nfs/dbraw/zinc/95/54/55/427955455.db2.gz FEZVJQXTKADEAE-IEBWSBKVSA-N 2 0 312.461 2.962 20 0 DFADRP CC(C)[NH+](CCN(C)C(=O)CC[C@@H]1CCCC[N@@H+]1C)C(C)C ZINC000355940658 427956634 /nfs/dbraw/zinc/95/66/34/427956634.db2.gz YUZPAFZOFYLJQZ-KRWDZBQOSA-N 2 0 311.514 2.828 20 0 DFADRP CCO[C@@H]1C[C@H]([NH2+]C[C@@H]2CC[N@H+](CC)C2)[C@@H]1Oc1ccccc1 ZINC000359660901 427960569 /nfs/dbraw/zinc/96/05/69/427960569.db2.gz MMEWTQYUGRGFCM-KANFNMMFSA-N 2 0 318.461 2.543 20 0 DFADRP CCC[NH+](CCC)CCCNC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC000345950570 427962778 /nfs/dbraw/zinc/96/27/78/427962778.db2.gz KGNLOWFFMKXPNZ-QGZVFWFLSA-N 2 0 311.514 2.879 20 0 DFADRP CN(C)CC[NH+]1CCC(C[NH2+][C@@H]2CCCC23CCCC3)CC1 ZINC000340235769 427963425 /nfs/dbraw/zinc/96/34/25/427963425.db2.gz MBFYROBALILVIL-GOSISDBHSA-N 2 0 307.526 2.963 20 0 DFADRP CCC(C)(C)[NH2+][C@H](C)C(=O)N[C@H]1CC[N@H+](CC2CCCC2)C1 ZINC000346983333 272706650 /nfs/dbraw/zinc/70/66/50/272706650.db2.gz PQMLCZPINISVQN-ZBFHGGJFSA-N 2 0 309.498 2.534 20 0 DFADRP C[C@@H]1C[C@H](N[C@@H]2CC[NH+](C)[C@@H](c3ccccc3)C2)CC[N@@H+]1C ZINC000340262694 427969392 /nfs/dbraw/zinc/96/93/92/427969392.db2.gz ZVHDSLNOBZWRGE-NXWXRZEISA-N 2 0 301.478 2.894 20 0 DFADRP C[C@H]1C[NH+](CC2CC[NH+](CCc3cscn3)CC2)C[C@H](C)O1 ZINC000340282492 427976133 /nfs/dbraw/zinc/97/61/33/427976133.db2.gz KSHWZABRERUOIJ-GJZGRUSLSA-N 2 0 323.506 2.507 20 0 DFADRP CCCN(CC[NH+]1CCCCC1)C(=O)CC[C@@H]1CCCC[N@@H+]1C ZINC000359726673 427991184 /nfs/dbraw/zinc/99/11/84/427991184.db2.gz YWTXQNJGGRDWGH-SFHVURJKSA-N 2 0 323.525 2.975 20 0 DFADRP C[N@@H+]1CCCC[C@H]1CCC(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000350064362 427930462 /nfs/dbraw/zinc/93/04/62/427930462.db2.gz HAHNXVTZEDXFNB-HNNXBMFYSA-N 2 0 309.498 2.676 20 0 DFADRP C[C@H]1CN(Cc2ccccc2)CC[C@H]1[N@H+](C)CCCCCO ZINC000304418226 427936663 /nfs/dbraw/zinc/93/66/63/427936663.db2.gz DZFZUGFSRDZHRS-PKOBYXMFSA-N 2 0 304.478 2.991 20 0 DFADRP c1ccc(C[N@@H+]2CC[C@@H](N3CC[C@@H](Oc4ccncc4)C3)C2)cc1 ZINC000355903959 427941629 /nfs/dbraw/zinc/94/16/29/427941629.db2.gz INNRBVSJCGXWFO-UYAOXDASSA-N 2 0 323.440 2.809 20 0 DFADRP CC(C)N(CC[NH+]1CCCCCC1)C(=O)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000345889073 427941679 /nfs/dbraw/zinc/94/16/79/427941679.db2.gz QCKRLAMUXOQAKI-ZWKOTPCHSA-N 2 0 323.525 2.830 20 0 DFADRP C[N@@H+](Cc1nc(-c2ccccc2)no1)C[C@H]1CCc2nccn2C1 ZINC000369639493 428023926 /nfs/dbraw/zinc/02/39/26/428023926.db2.gz MTYWMBQFMXNXMR-CQSZACIVSA-N 2 0 323.400 2.628 20 0 DFADRP C[C@@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)C1(C[NH+](C)C)CCCCC1 ZINC000346128069 428029696 /nfs/dbraw/zinc/02/96/96/428029696.db2.gz ISJSCRWHSDVELT-IAGOWNOFSA-N 2 0 321.509 2.584 20 0 DFADRP CCC(C)(C)[NH2+][C@H](C)C(=O)NCc1ccc(C[NH+](C)C)cc1 ZINC000347529712 272798856 /nfs/dbraw/zinc/79/88/56/272798856.db2.gz QXGANHZLBSLDRX-CQSZACIVSA-N 2 0 305.466 2.531 20 0 DFADRP COc1cc2[nH+]ccc(N[C@@H]3CCC[N@H+](C)[C@H]3C)c2cc1OC ZINC000413233379 427998080 /nfs/dbraw/zinc/99/80/80/427998080.db2.gz DFIJDQHLSFGCLA-GXTWGEPZSA-N 2 0 315.417 2.569 20 0 DFADRP COC1(C[NH2+]CCCC[NH+]2C[C@H](C)O[C@@H](C)C2)CCCCC1 ZINC000359741125 428001248 /nfs/dbraw/zinc/00/12/48/428001248.db2.gz GFFWHPKKFVPGOA-IRXDYDNUSA-N 2 0 312.498 2.815 20 0 DFADRP CC1=C[C@@H](C)C[C@H](C[NH+]2CCN(CC[NH+]3CCCC3)CC2)C1 ZINC000356054968 428003315 /nfs/dbraw/zinc/00/33/15/428003315.db2.gz BZAYUGHXSUKZOK-MJGOQNOKSA-N 2 0 305.510 2.692 20 0 DFADRP CC1=C[C@H](C)C[C@@H](C[NH+]2CCN(CC[NH+]3CCCC3)CC2)C1 ZINC000356054970 428003729 /nfs/dbraw/zinc/00/37/29/428003729.db2.gz BZAYUGHXSUKZOK-PKOBYXMFSA-N 2 0 305.510 2.692 20 0 DFADRP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCSCCCO ZINC000377177258 428077844 /nfs/dbraw/zinc/07/78/44/428077844.db2.gz DACQMJDUIHIONR-WMZOPIPTSA-N 2 0 322.518 2.602 20 0 DFADRP C[C@H](C(=O)N(C)CC[C@H]1CCCC[N@@H+]1C)[NH+]1CCCCCC1 ZINC000346225521 428078239 /nfs/dbraw/zinc/07/82/39/428078239.db2.gz ULWIUZAVDIQZEE-IAGOWNOFSA-N 2 0 309.498 2.584 20 0 DFADRP Cc1cncn1C1CCN(C(=O)[C@H]2CCCC[N@H+]2C(C)C)CC1 ZINC000369875870 428081572 /nfs/dbraw/zinc/08/15/72/428081572.db2.gz XGNAFJNJDPQFLZ-QGZVFWFLSA-N 2 0 318.465 2.618 20 0 DFADRP CC(C)c1nccn1CCC(=O)N1CCCC[C@@H]1c1ncc[nH]1 ZINC000369943369 428095538 /nfs/dbraw/zinc/09/55/38/428095538.db2.gz QYRPXVRUOGVMKH-CQSZACIVSA-N 2 0 315.421 2.874 20 0 DFADRP [NH3+][C@@H]1CCC[C@H](C(=O)Nc2cccc(CC[NH+]3CCCC3)c2)C1 ZINC000346280710 428107154 /nfs/dbraw/zinc/10/71/54/428107154.db2.gz JZDFKJWEJRWZFJ-DLBZAZTESA-N 2 0 315.461 2.781 20 0 DFADRP [NH3+][C@@H]1CCC[C@H](C(=O)N2CCC(CCC[NH+]3CCCC3)CC2)C1 ZINC000346291829 428110961 /nfs/dbraw/zinc/11/09/61/428110961.db2.gz QVRLZAAPZJAVBS-ZWKOTPCHSA-N 2 0 321.509 2.619 20 0 DFADRP C[C@H]([NH3+])[C@H]1CC[N@H+](Cc2ccc(OCc3ccccn3)cc2)C1 ZINC000351864651 428116470 /nfs/dbraw/zinc/11/64/70/428116470.db2.gz YTBADYOSXAQKJQ-RDJZCZTQSA-N 2 0 311.429 2.830 20 0 DFADRP CC[N@@H+]1CC[C@H]([NH+](C)CCc2ccc3c(c2)OCCO3)C[C@@H]1C ZINC000360027744 428126260 /nfs/dbraw/zinc/12/62/60/428126260.db2.gz OEDUBXUFULEGOL-RDJZCZTQSA-N 2 0 318.461 2.805 20 0 DFADRP CC[N@@H+]1CC[C@H](N(C)C(=O)[C@H](C)[NH+]2CCCCCC2)C[C@H]1C ZINC000346346623 428136911 /nfs/dbraw/zinc/13/69/11/428136911.db2.gz XHYPTOSUIVEJBK-IKGGRYGDSA-N 2 0 309.498 2.582 20 0 DFADRP CC(C)n1ncc2cc(C[N@@H+]3CCCC[C@@H]3CC[NH3+])cnc21 ZINC000352534339 428139845 /nfs/dbraw/zinc/13/98/45/428139845.db2.gz FOBSCUQUPLTCHD-MRXNPFEDSA-N 2 0 301.438 2.716 20 0 DFADRP [NH3+]CCC[N@@H+](Cc1ccc(-n2cncn2)cc1)CC1CCCC1 ZINC000352541483 428141655 /nfs/dbraw/zinc/14/16/55/428141655.db2.gz YJFNNYCDMAVWKJ-UHFFFAOYSA-N 2 0 313.449 2.608 20 0 DFADRP C[C@@H]1C[N@H+](C)CC[C@@H]1NC[C@@H](C1CC1)[NH+](C)Cc1ccccc1 ZINC000360040548 428129760 /nfs/dbraw/zinc/12/97/60/428129760.db2.gz UHYJHXGWALZUCE-UXPWSPDFSA-N 2 0 315.505 2.827 20 0 DFADRP CC[N@@H+]1CC[C@@H](N(C)C(=O)c2cccc(C[NH+](C)C)c2)C[C@H]1C ZINC000346387863 428150836 /nfs/dbraw/zinc/15/08/36/428150836.db2.gz OSQRMTOIHXPNMR-CRAIPNDOSA-N 2 0 317.477 2.693 20 0 DFADRP C[N@@H+]1CC[C@@H](CNC(=[NH2+])Nc2ccccn2)[C@@H]1c1cccs1 ZINC000370164694 428148303 /nfs/dbraw/zinc/14/83/03/428148303.db2.gz XYOCDCFMJRRXLR-SWLSCSKDSA-N 2 0 315.446 2.772 20 0 DFADRP CCCNC(=[NH2+])NC[C@H]1CC[N@H+](C)[C@@H]1c1cccc(Cl)c1 ZINC000370167566 428148584 /nfs/dbraw/zinc/14/85/84/428148584.db2.gz QZNNQKSOFIBSSC-UKRRQHHQSA-N 2 0 308.857 2.857 20 0 DFADRP C[C@@H](c1cccnc1)[NH+]1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000356453412 428185735 /nfs/dbraw/zinc/18/57/35/428185735.db2.gz JTBVHHOCXNPTQE-KRWDZBQOSA-N 2 0 317.477 2.967 20 0 DFADRP CC(C)NC(=O)Nc1ccc(C[NH2+][C@@H]2CC[N@H+](C)C[C@H]2C)cc1 ZINC000360138539 428177644 /nfs/dbraw/zinc/17/76/44/428177644.db2.gz FTNOUPSNVMSOQX-RHSMWYFYSA-N 2 0 318.465 2.646 20 0 DFADRP COc1ccc([C@H](C)[NH2+][C@H](C)CCN2CCOCC2)c(C)c1 ZINC000414106335 428207802 /nfs/dbraw/zinc/20/78/02/428207802.db2.gz XKEQPMVMAMEHJT-CVEARBPZSA-N 2 0 306.450 2.765 20 0 DFADRP C[C@H]([NH2+]Cc1ccccc1C[NH+]1CCC(O)CC1)[C@@H]1C[C@H]1C ZINC000414116833 428210275 /nfs/dbraw/zinc/21/02/75/428210275.db2.gz RMCWCIFIWJTVMH-ZRGWGRIASA-N 2 0 302.462 2.777 20 0 DFADRP COc1ccc(C[C@H](C)[NH2+]C[C@H]2CCC[N@@H+](C(C)C)C2)cn1 ZINC000414124202 428211351 /nfs/dbraw/zinc/21/13/51/428211351.db2.gz PFNULSHGRKVQOZ-DOTOQJQBSA-N 2 0 305.466 2.731 20 0 DFADRP COc1ccc(C[C@H](C)[NH2+]CC[C@@H](C)[NH+]2CCCCC2)cn1 ZINC000414124924 428211433 /nfs/dbraw/zinc/21/14/33/428211433.db2.gz CKLYCCNTVAMJQM-JKSUJKDBSA-N 2 0 305.466 2.875 20 0 DFADRP CC[C@H]([NH2+]CC1CC[NH+](CC(=O)NC(C)(C)C)CC1)[C@@H]1C[C@H]1C ZINC000414116170 428212127 /nfs/dbraw/zinc/21/21/27/428212127.db2.gz QHZSGTBZZZSKEV-OIISXLGYSA-N 2 0 323.525 2.637 20 0 DFADRP O[C@@H]1CCC[C@H]1[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H]2CCC[C@@H]21 ZINC000414131022 428214384 /nfs/dbraw/zinc/21/43/84/428214384.db2.gz YMGKCZOAWJDQNU-LTFPLMDUSA-N 2 0 314.473 2.933 20 0 DFADRP C[N@@H+]1CCC[C@@H](CC[NH2+][C@H](c2ccccc2)c2cncnc2)C1 ZINC000414174241 428223949 /nfs/dbraw/zinc/22/39/49/428223949.db2.gz GMDKDHQLLYCEKL-QFBILLFUSA-N 2 0 310.445 2.888 20 0 DFADRP C[C@@H](CCN1CC[NH+](C)CC1)[NH2+]C/C=C\c1ccc(F)c(F)c1 ZINC000352740843 428229689 /nfs/dbraw/zinc/22/96/89/428229689.db2.gz ASMRNVUAOTUZKD-JZIMQPMSSA-N 2 0 323.431 2.594 20 0 DFADRP Cc1cc([C@@H](C)[NH2+]CC2(N3CCCCC3)CC[NH+](C)CC2)no1 ZINC000377807390 428233347 /nfs/dbraw/zinc/23/33/47/428233347.db2.gz QLMDYUGLQYOLQT-MRXNPFEDSA-N 2 0 320.481 2.584 20 0 DFADRP CC1CC[NH+](CCCC[NH2+]Cc2ncc(CN(C)C)s2)CC1 ZINC000352766854 428237052 /nfs/dbraw/zinc/23/70/52/428237052.db2.gz AWXYOLPSEGRHHQ-UHFFFAOYSA-N 2 0 324.538 2.806 20 0 DFADRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H]2CS[C@@H](C)C2)[C@H](C)C1 ZINC000414230406 428237305 /nfs/dbraw/zinc/23/73/05/428237305.db2.gz NXAYREFTAUVLKZ-UGUYLWEFSA-N 2 0 300.512 2.607 20 0 DFADRP CCC[NH+]1CCC(C[NH2+][C@@H](C)Cc2ccc(OC)nc2)CC1 ZINC000414060925 428193526 /nfs/dbraw/zinc/19/35/26/428193526.db2.gz AIQHHURPIDZKCE-HNNXBMFYSA-N 2 0 305.466 2.733 20 0 DFADRP CC[C@@H]([NH2+]Cc1ccnc(N2CC[NH+](C)CC2)c1)[C@@H]1CC1(C)C ZINC000414070387 428196468 /nfs/dbraw/zinc/19/64/68/428196468.db2.gz LDXNEPINSOHGRH-DLBZAZTESA-N 2 0 316.493 2.748 20 0 DFADRP COCC[N@H+](C)CCC[NH2+][C@H]1C[C@@H](OC(C)(C)C)C1(C)C ZINC000414077033 428198205 /nfs/dbraw/zinc/19/82/05/428198205.db2.gz YRYWKYTZNYRLNA-LSDHHAIUSA-N 2 0 300.487 2.527 20 0 DFADRP COCC[N@H+](C)CCC[NH2+][C@@H]1C[C@H](OC(C)(C)C)C1(C)C ZINC000414077030 428199741 /nfs/dbraw/zinc/19/97/41/428199741.db2.gz YRYWKYTZNYRLNA-CABCVRRESA-N 2 0 300.487 2.527 20 0 DFADRP Cc1ccncc1CCC[N@@H+]1CCC[C@@H]1[C@@H]1COCC[C@@]1(C)O ZINC000377698019 428200014 /nfs/dbraw/zinc/20/00/14/428200014.db2.gz PGBDSWBDSGBNEP-IPMKNSEASA-N 2 0 318.461 2.575 20 0 DFADRP Cc1nccn1CCC[N@@H+](C)CCc1ccc2c(c1)OCCO2 ZINC000360198254 428201355 /nfs/dbraw/zinc/20/13/55/428201355.db2.gz GACRFMVBXCLTBO-UHFFFAOYSA-N 2 0 315.417 2.527 20 0 DFADRP CC(C)n1cc(C[NH+]2CCC3(C[C@H]3C[N@H+](C)C3CC3)CC2)nn1 ZINC000377703201 428203282 /nfs/dbraw/zinc/20/32/82/428203282.db2.gz WFMYHONRFGXGDU-HNNXBMFYSA-N 2 0 317.481 2.555 20 0 DFADRP Cc1[nH+]c2c(n1[C@H]1CCN(CC[NH+]3CCCCC3)C1)CCCC2 ZINC000346523796 428204290 /nfs/dbraw/zinc/20/42/90/428204290.db2.gz FQDTZFFJMFIRHY-KRWDZBQOSA-N 2 0 316.493 2.803 20 0 DFADRP CCOc1ccc(C[NH+]2CCC(CC[NH2+]C)CC2)cc1OC ZINC000346683609 428272035 /nfs/dbraw/zinc/27/20/35/428272035.db2.gz PKVJUNAJSFESFP-UHFFFAOYSA-N 2 0 306.450 2.915 20 0 DFADRP Cc1nn(Cc2ccccc2)c(C)c1C[N@H+]1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000346694766 428276151 /nfs/dbraw/zinc/27/61/51/428276151.db2.gz WBLPBCKIKDYQKR-RDTXWAMCSA-N 2 0 312.461 2.717 20 0 DFADRP CC(=O)NCCc1ccc([C@@H](C)[NH2+]CCC[N@@H+](C)C(C)C)cc1 ZINC000356694138 428276342 /nfs/dbraw/zinc/27/63/42/428276342.db2.gz JIQQKUVLRHTPLS-MRXNPFEDSA-N 2 0 319.493 2.746 20 0 DFADRP C[C@H]1C[C@@H](C[NH3+])C[N@@H+]1Cc1ccccc1OCC(F)(F)F ZINC000346693395 428276787 /nfs/dbraw/zinc/27/67/87/428276787.db2.gz MVLHNWMAFYZWQQ-RYUDHWBXSA-N 2 0 302.340 2.797 20 0 DFADRP C[C@@H]([NH3+])[C@H]1CC[N@H+](Cc2c[nH]nc2-c2cccc(Cl)c2)C1 ZINC000346693218 428277849 /nfs/dbraw/zinc/27/78/49/428277849.db2.gz LNCOTCCAZSOYLW-YPMHNXCESA-N 2 0 304.825 2.899 20 0 DFADRP Cc1ccc(C[N@@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@@H](C)C2)c(C)c1 ZINC000370706671 428279200 /nfs/dbraw/zinc/27/92/00/428279200.db2.gz CCVVOHMTZNQXGA-AZUAARDMSA-N 2 0 315.505 2.761 20 0 DFADRP Cc1ccc(CN(C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)nn1 ZINC000414388387 428281386 /nfs/dbraw/zinc/28/13/86/428281386.db2.gz LSQLQWLILONRDZ-GOSISDBHSA-N 2 0 310.445 2.739 20 0 DFADRP CCC[NH+](CCC)CCCC(=O)N(C1CC1)C1CC[NH2+]CC1 ZINC000370789501 428299048 /nfs/dbraw/zinc/29/90/48/428299048.db2.gz WNPFCTKNDMXHMK-UHFFFAOYSA-N 2 0 309.498 2.632 20 0 DFADRP Fc1ccc(/C=C\C[NH2+]CCCC[NH+]2CCOCC2)cc1F ZINC000352779378 428244694 /nfs/dbraw/zinc/24/46/94/428244694.db2.gz LEGYGCFCAFYAKD-ARJAWSKDSA-N 2 0 310.388 2.680 20 0 DFADRP C[C@@H]([NH3+])[C@H]1CCN(CC(C)(C)C[N@H+](C)Cc2ccccc2)C1 ZINC000346631830 428248022 /nfs/dbraw/zinc/24/80/22/428248022.db2.gz COOBTBUGLNGVNG-AEFFLSMTSA-N 2 0 303.494 2.814 20 0 DFADRP C[NH2+]C[C@@H]1CCCN1Cc1c[nH]nc1-c1ccc(Cl)cc1 ZINC000346634722 428248862 /nfs/dbraw/zinc/24/88/62/428248862.db2.gz GKWXAOKYDACLJM-HNNXBMFYSA-N 2 0 304.825 2.914 20 0 DFADRP CC(C)(C)c1ncc(C[NH+]2CCC(OCCC[NH3+])CC2)s1 ZINC000346635418 428249076 /nfs/dbraw/zinc/24/90/76/428249076.db2.gz GXXJWWJAYVJUGV-UHFFFAOYSA-N 2 0 311.495 2.770 20 0 DFADRP [NH3+]CCCOC1CC[NH+](Cc2cccc(OC(F)F)c2)CC1 ZINC000346645862 428253566 /nfs/dbraw/zinc/25/35/66/428253566.db2.gz FLOVZODAQZFFAS-UHFFFAOYSA-N 2 0 314.376 2.618 20 0 DFADRP C[NH2+]CCC1CC[NH+](Cc2cccc(OCCOC)c2)CC1 ZINC000346643337 428253581 /nfs/dbraw/zinc/25/35/81/428253581.db2.gz CTZMVHWIGKIAPR-UHFFFAOYSA-N 2 0 306.450 2.533 20 0 DFADRP CC(C)[C@H]([NH3+])CC[N@H+](C)Cc1cn(C)nc1-c1cccs1 ZINC000346651327 428257297 /nfs/dbraw/zinc/25/72/97/428257297.db2.gz HGLWZPFXLVWSBY-CQSZACIVSA-N 2 0 306.479 2.954 20 0 DFADRP Cc1ccc([C@@H](C)[NH2+][C@@H]2CCN(C3CC[NH+](C)CC3)C2)s1 ZINC000370625427 428258013 /nfs/dbraw/zinc/25/80/13/428258013.db2.gz XSNHHIRFSJMKDK-HUUCEWRRSA-N 2 0 307.507 2.876 20 0 DFADRP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC1CC[NH+](C)CC1 ZINC000370633944 428260285 /nfs/dbraw/zinc/26/02/85/428260285.db2.gz JKKPHZHHPVLDCC-PXNSSMCTSA-N 3 0 315.505 2.828 20 0 DFADRP COc1ccc([C@@H](C)[NH2+][C@H]2CCN(C3CC[NH+](C)CC3)C2)cc1 ZINC000370635750 428260745 /nfs/dbraw/zinc/26/07/45/428260745.db2.gz PTKDVXHJHUBLRX-WBVHZDCISA-N 2 0 317.477 2.514 20 0 DFADRP C[C@@H](C(=O)N1CCC([NH+]2CCC[C@H]2C)CC1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000370909754 428316961 /nfs/dbraw/zinc/31/69/61/428316961.db2.gz VKOFDANSSPGWMW-NCOADZHNSA-N 2 0 321.509 2.723 20 0 DFADRP C[C@H](C(=O)N1CCCc2cc(C[NH3+])ccc21)[C@H]([NH3+])c1ccccc1 ZINC000378187085 428328645 /nfs/dbraw/zinc/32/86/45/428328645.db2.gz HDNPOQRIAOPUKR-LIRRHRJNSA-N 2 0 323.440 2.761 20 0 DFADRP C[C@](O)(C[NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]12)C1CC1 ZINC000356838360 428331470 /nfs/dbraw/zinc/33/14/70/428331470.db2.gz ILTDXSOJMQTPKJ-AFYVEPGGSA-N 2 0 314.473 2.648 20 0 DFADRP CCOc1ccc(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)cc1OC ZINC000346824913 428331877 /nfs/dbraw/zinc/33/18/77/428331877.db2.gz CZBINFMAGZLQIT-HRCADAONSA-N 2 0 304.434 2.653 20 0 DFADRP COc1cc(C[N@@H+]2C[C@@H](C[NH3+])C[C@@H]2C)c(SC)cc1OC ZINC000346832571 428336987 /nfs/dbraw/zinc/33/69/87/428336987.db2.gz LMEBZHQPNRDEON-NWDGAFQWSA-N 2 0 310.463 2.595 20 0 DFADRP [NH3+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3OCc3ccccn3)C[C@H]12 ZINC000346850601 428344419 /nfs/dbraw/zinc/34/44/19/428344419.db2.gz UTBNJAIPKQBPPF-AYOQOUSVSA-N 2 0 323.440 2.830 20 0 DFADRP COc1cc(C[N@@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)ccc1OC(C)C ZINC000346852304 428344808 /nfs/dbraw/zinc/34/48/08/428344808.db2.gz KOKDFMDYBRKKOB-ARFHVFGLSA-N 2 0 304.434 2.652 20 0 DFADRP c1cc2c(cc1[C@H]1CCC[N@H+]1C[C@@H]1CCC[NH2+]C1)OCCO2 ZINC000346852474 428345052 /nfs/dbraw/zinc/34/50/52/428345052.db2.gz RREIUBRDAFQSSR-GDBMZVCRSA-N 2 0 302.418 2.594 20 0 DFADRP COc1ccc(C[N@@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)cc1OCC(C)C ZINC000346855624 428346753 /nfs/dbraw/zinc/34/67/53/428346753.db2.gz UYZUNPCKFWVYHC-GVDBMIGSSA-N 2 0 318.461 2.899 20 0 DFADRP CCN(CC)c1ncc(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)s1 ZINC000346856840 428348477 /nfs/dbraw/zinc/34/84/77/428348477.db2.gz PRXWJCCCDPNLJX-AEGPPILISA-N 2 0 308.495 2.549 20 0 DFADRP CC[C@H](F)CN1CCN([C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000352894796 428302436 /nfs/dbraw/zinc/30/24/36/428302436.db2.gz VOJIECSMVPXPJI-RBUKOAKNSA-N 2 0 319.468 2.627 20 0 DFADRP CC1CCC([NH+]2CCC(NC(=O)CC[C@H]3CC[NH2+]C3)CC2)CC1 ZINC000378289012 428355157 /nfs/dbraw/zinc/35/51/57/428355157.db2.gz GWESGEAUBOAIFY-PQUAAJSLSA-N 2 0 321.509 2.535 20 0 DFADRP CCCOc1ccc(CN2CC[C@H]3C[NH2+]C[C@H]3C2)cc1OC ZINC000357104499 428390518 /nfs/dbraw/zinc/39/05/18/428390518.db2.gz LDRTYEDBKVEKHW-HOTGVXAUSA-N 2 0 304.434 2.525 20 0 DFADRP CC[N@@H+](Cc1ccc(C(=O)N(C)C)cc1)C[C@H]1CC[NH2+][C@@H](C)C1 ZINC000414735029 428391054 /nfs/dbraw/zinc/39/10/54/428391054.db2.gz BVCZDKCXCJTDSF-RDJZCZTQSA-N 2 0 317.477 2.598 20 0 DFADRP CC(C)C[C@H]([NH3+])CN1CCC[C@@H](c2cc(C(F)(F)F)n[nH]2)C1 ZINC000414740037 428391570 /nfs/dbraw/zinc/39/15/70/428391570.db2.gz CXIFZTSEDYPJEV-NEPJUHHUSA-N 2 0 318.387 2.981 20 0 DFADRP C[C@@H]1C[C@@H](C[N@@H+]2CCC[C@H](C(=O)Nc3ccccc3)C2)CC[NH2+]1 ZINC000414743318 428391613 /nfs/dbraw/zinc/39/16/13/428391613.db2.gz VBMUOQKTBVFAFF-IKGGRYGDSA-N 2 0 315.461 2.725 20 0 DFADRP CCOC(=O)[C@@H]1C[N@H+](C[C@@H]2CC[NH2+][C@H](C)C2)Cc2ccccc21 ZINC000414748304 428393476 /nfs/dbraw/zinc/39/34/76/428393476.db2.gz NXOHZULDJUVMNC-IIDMSEBBSA-N 2 0 316.445 2.537 20 0 DFADRP CCC[N@@H+]1CCC[C@H]1CNCc1cn(-c2cc[nH+]cc2)nc1C ZINC000353129269 428395049 /nfs/dbraw/zinc/39/50/49/428395049.db2.gz SXXHUGPQCOCZED-SFHVURJKSA-N 2 0 313.449 2.540 20 0 DFADRP FC(F)(F)c1ncc(C[N@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)s1 ZINC000414764384 428396932 /nfs/dbraw/zinc/39/69/32/428396932.db2.gz DGXJQWJSEANNKF-AOOOYVTPSA-N 2 0 305.369 2.593 20 0 DFADRP CC[NH+](CC)CCO[C@H]1CC[N@H+](CCc2ccccc2F)C1 ZINC000346995495 428399074 /nfs/dbraw/zinc/39/90/74/428399074.db2.gz WNRJXUXIWFEONT-KRWDZBQOSA-N 2 0 308.441 2.801 20 0 DFADRP C[N@@H+]1CCC[C@H]1CCN1CCC[C@]2(C1)OCc1ccccc12 ZINC000360684758 428399128 /nfs/dbraw/zinc/39/91/28/428399128.db2.gz GXSKPQZDIQHBGZ-PKOBYXMFSA-N 2 0 300.446 2.992 20 0 DFADRP CC(C)Oc1cccc(C[N@@H+]2C[C@H](C[NH3+])C3(C2)CCOCC3)c1 ZINC000414774690 428400181 /nfs/dbraw/zinc/40/01/81/428400181.db2.gz FTFUWGXSXVFXGX-KRWDZBQOSA-N 2 0 318.461 2.661 20 0 DFADRP CC(C)N(C)c1ccc(C[N@@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)cn1 ZINC000414773625 428401899 /nfs/dbraw/zinc/40/18/99/428401899.db2.gz DQBOIRYDEGGWKF-MSOLQXFVSA-N 2 0 316.493 2.748 20 0 DFADRP CC(C)([NH3+])CN1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000346998927 428401991 /nfs/dbraw/zinc/40/19/91/428401991.db2.gz YMQNIQSUQNONAV-ROUUACIJSA-N 2 0 301.478 2.710 20 0 DFADRP Clc1ccc2ncc(C[N@@H+]3CCC[C@@H]([C@@H]4CC[NH2+]C4)C3)n2c1 ZINC000414772636 428402129 /nfs/dbraw/zinc/40/21/29/428402129.db2.gz CHSQZDDZFZMYND-ZIAGYGMSSA-N 2 0 318.852 2.809 20 0 DFADRP Cc1ccc(-c2n[nH]cc2C[N@@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)o1 ZINC000414776709 428403210 /nfs/dbraw/zinc/40/32/10/428403210.db2.gz HNFYDPFMRQBGSS-CABCVRRESA-N 2 0 314.433 2.800 20 0 DFADRP c1cn(-c2ccc(C[N@@H+]3CCC[C@H]([C@H]4CC[NH2+]C4)C3)cc2)cn1 ZINC000414775731 428405156 /nfs/dbraw/zinc/40/51/56/428405156.db2.gz GNJODKHCVHQSNP-ROUUACIJSA-N 2 0 310.445 2.694 20 0 DFADRP C[NH+](C)CCc1ccc(NC(=O)CC[C@H]2CCCC[N@@H+]2C)cc1 ZINC000353151814 428406324 /nfs/dbraw/zinc/40/63/24/428406324.db2.gz LVZXIHVCMBDMRX-GOSISDBHSA-N 2 0 317.477 2.994 20 0 DFADRP Cc1cc(C)c(C[N@@H+]2C[C@H](C[NH3+])C3(C2)CCOCC3)cc1C ZINC000414783970 428406824 /nfs/dbraw/zinc/40/68/24/428406824.db2.gz ICPCCXQIWSQVEC-SFHVURJKSA-N 2 0 302.462 2.799 20 0 DFADRP Cc1ccc(Cl)cc1NC(=O)C[C@H](C)[NH2+]C1CC[NH2+]CC1 ZINC000414784530 428406980 /nfs/dbraw/zinc/40/69/80/428406980.db2.gz SNRBQCKBOLOTTA-LBPRGKRZSA-N 2 0 309.841 2.707 20 0 DFADRP Cc1cc(Cl)ccc1C[NH+]1CCC([C@@H]2OCC[C@H]2[NH3+])CC1 ZINC000414783330 428407765 /nfs/dbraw/zinc/40/77/65/428407765.db2.gz YVGTTWORWIUGTR-SJORKVTESA-N 2 0 308.853 2.977 20 0 DFADRP [NH3+]C[C@@H]1C[N@H+](Cc2ccc(C3CC3)cc2)CC12CCOCC2 ZINC000414783542 428408255 /nfs/dbraw/zinc/40/82/55/428408255.db2.gz QATCYVYYCYPAAK-GOSISDBHSA-N 2 0 300.446 2.751 20 0 DFADRP COc1ccc(OC)c(C[N@@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)c1 ZINC000414786690 428409113 /nfs/dbraw/zinc/40/91/13/428409113.db2.gz UTBATBKSSCSWEW-CABCVRRESA-N 2 0 304.434 2.525 20 0 DFADRP C[C@H](Cc1ccc(Br)cc1F)[NH2+]C1CC[NH2+]CC1 ZINC000414785767 428409496 /nfs/dbraw/zinc/40/94/96/428409496.db2.gz WCPLERWKVIAQOB-SNVBAGLBSA-N 2 0 315.230 2.861 20 0 DFADRP COc1ccc(C[NH2+][C@H]2CCCC[C@@H]2C[NH3+])cc1OC(F)F ZINC000414792350 428412365 /nfs/dbraw/zinc/41/23/65/428412365.db2.gz CDLFNHXXYJXLEO-OLZOCXBDSA-N 2 0 314.376 2.904 20 0 DFADRP CCC[NH+]1CCN(c2ccccc2C[NH2+][C@H]2C[C@H]2C(F)F)CC1 ZINC000342238428 428364989 /nfs/dbraw/zinc/36/49/89/428364989.db2.gz SQESSSCICWRWCR-CVEARBPZSA-N 2 0 323.431 2.962 20 0 DFADRP Cn1ccnc1[C@@H]([NH2+]Cc1cc(-n2ccnc2)cs1)C1CC1 ZINC000353052083 428369909 /nfs/dbraw/zinc/36/99/09/428369909.db2.gz IRHFBUJSUJCZSN-HNNXBMFYSA-N 2 0 313.430 2.908 20 0 DFADRP C[C@H](c1ccc(-n2cncn2)cc1)[N@H+](C)C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000414674461 428370158 /nfs/dbraw/zinc/37/01/58/428370158.db2.gz SAZIGPOVYFUIDD-BZUAXINKSA-N 2 0 313.449 2.648 20 0 DFADRP COc1ccc(C[N@@H+]2CCCN(C[C@@H]([NH3+])CC(C)C)CC2)cc1 ZINC000414675553 428372576 /nfs/dbraw/zinc/37/25/76/428372576.db2.gz TZRHLKCUFLHDED-SFHVURJKSA-N 2 0 319.493 2.576 20 0 DFADRP c1nc([C@@H]2CCCO2)sc1C[NH+]1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000357050441 428374187 /nfs/dbraw/zinc/37/41/87/428374187.db2.gz MLRFLYINTIDKAC-ZBFHGGJFSA-N 2 0 321.490 2.816 20 0 DFADRP CC[C@H]([NH2+]CC(=O)NC1CC[NH+](CC)CC1)c1ccc(C)cc1 ZINC000357051274 428374388 /nfs/dbraw/zinc/37/43/88/428374388.db2.gz FWQBMEVVGYPDFK-SFHVURJKSA-N 2 0 317.477 2.636 20 0 DFADRP COc1cccc([C@@H](C)[NH+]2CCN(CC[NH2+]C(C)(C)C)CC2)c1 ZINC000414689618 428374740 /nfs/dbraw/zinc/37/47/40/428374740.db2.gz GLAVBTJMRRETSA-MRXNPFEDSA-N 2 0 319.493 2.762 20 0 DFADRP C[C@@H]1C[C@@H](C[N@@H+]2CCCC[C@@H]2c2nnc3n2CCCC3)CC[NH2+]1 ZINC000414690482 428375377 /nfs/dbraw/zinc/37/53/77/428375377.db2.gz IDXSDSILHSAVJW-OWCLPIDISA-N 2 0 317.481 2.530 20 0 DFADRP C[C@@H]1C[C@@H](C[N@H+](CCO)[C@H]2CCCc3ccccc32)CC[NH2+]1 ZINC000414690212 428375463 /nfs/dbraw/zinc/37/54/63/428375463.db2.gz HKOZDMFVDHMDRL-GJYPPUQNSA-N 2 0 302.462 2.746 20 0 DFADRP CC(C)[C@H](c1ccccc1)[N@H+](C)C[C@H]1CCCN(C(=O)C[NH3+])C1 ZINC000414688524 428377116 /nfs/dbraw/zinc/37/71/16/428377116.db2.gz DRDYLJGNVNKWLP-VQIMIIECSA-N 2 0 317.477 2.513 20 0 DFADRP Cc1ccc(C[N@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@H]32)cc1C ZINC000378368250 428379457 /nfs/dbraw/zinc/37/94/57/428379457.db2.gz GHEZQEWTWCPZGN-GUDVDZBRSA-N 2 0 302.462 2.987 20 0 DFADRP C[C@@H]1C[C@@H](C[N@@H+]2CCC[C@@H]2c2ccc3c(c2)OCO3)CC[NH2+]1 ZINC000414701181 428380991 /nfs/dbraw/zinc/38/09/91/428380991.db2.gz UDXZDVMVAUAZMX-IJEWVQPXSA-N 2 0 302.418 2.940 20 0 DFADRP CC(C)c1nc(C2([NH2+]C[C@@H]3CC[NH2+][C@H](C)C3)CCCC2)no1 ZINC000414703439 428382110 /nfs/dbraw/zinc/38/21/10/428382110.db2.gz JAFYTTNOPFFHMH-ZIAGYGMSSA-N 2 0 306.454 2.940 20 0 DFADRP CC[N@H+](C[C@@H]1CC[NH2+][C@H](C)C1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000414714466 428382734 /nfs/dbraw/zinc/38/27/34/428382734.db2.gz PUDBVPMYFLIXIC-RLLQIKCJSA-N 2 0 315.505 2.971 20 0 DFADRP C[C@@H]1C[C@@H](C[N@H+](C)[C@H]2CCCN(c3ccccc3)C2=O)CC[NH2+]1 ZINC000414710142 428384292 /nfs/dbraw/zinc/38/42/92/428384292.db2.gz RLZITUIHTGZTMV-RYRKJORJSA-N 2 0 315.461 2.502 20 0 DFADRP C[C@H]1C[C@@H](C[NH2+]C2(c3ccc(F)cc3F)CCOCC2)CC[NH2+]1 ZINC000414711845 428384489 /nfs/dbraw/zinc/38/44/89/428384489.db2.gz RSAQAIPHLSCZAC-KBPBESRZSA-N 2 0 324.415 2.948 20 0 DFADRP [NH3+]CC[C@H]1CCC[N@H+](Cc2cccc(O)c2Br)C1 ZINC000414728135 428387532 /nfs/dbraw/zinc/38/75/32/428387532.db2.gz BQMMCZZMLWHVAX-LLVKDONJSA-N 2 0 313.239 2.716 20 0 DFADRP C[NH+](C)C[C@](C)(O)C[NH2+][C@H]1CCC[C@H]1c1ccc(Cl)cc1 ZINC000378399077 428387760 /nfs/dbraw/zinc/38/77/60/428387760.db2.gz GXLLRUATYCRMAV-YESZJQIVSA-N 2 0 310.869 2.878 20 0 DFADRP C[C@H](CCc1n[nH]c2ccccc21)[NH2+]CC[C@H]1CCC[NH2+]C1 ZINC000414848736 428433787 /nfs/dbraw/zinc/43/37/87/428433787.db2.gz XDSOVDBAJUOZAV-HUUCEWRRSA-N 2 0 300.450 2.863 20 0 DFADRP Cc1ccc(NC(=O)C[C@H](C)[NH2+]CC[C@@H]2CCC[NH2+]C2)c(C)c1 ZINC000414845312 428433912 /nfs/dbraw/zinc/43/39/12/428433912.db2.gz SEJTYMATILBHLE-IRXDYDNUSA-N 2 0 317.477 3.000 20 0 DFADRP Cc1cccc(NC(=O)C[C@H](C)[NH2+]CC[C@@H]2CCC[NH2+]C2)c1C ZINC000414847158 428433981 /nfs/dbraw/zinc/43/39/81/428433981.db2.gz VIMZVZJJKRNKHV-RDJZCZTQSA-N 2 0 317.477 3.000 20 0 DFADRP C[C@H]([NH2+]Cc1cc(Br)cs1)[C@H]1CCC[NH2+]C1 ZINC000414854002 428434042 /nfs/dbraw/zinc/43/40/42/428434042.db2.gz LSSDMYOLFBPLAQ-UWVGGRQHSA-N 2 0 303.269 2.988 20 0 DFADRP CC(C)(C)C(=O)N1CCC([NH2+]CC2([NH3+])CCCCCC2)CC1 ZINC000414858772 428435260 /nfs/dbraw/zinc/43/52/60/428435260.db2.gz LGSKJBKTKFNSPD-UHFFFAOYSA-N 2 0 309.498 2.665 20 0 DFADRP C[NH2+]CCC[NH2+][C@@H](C)Cc1ccc(Br)cc1F ZINC000414858453 428436064 /nfs/dbraw/zinc/43/60/64/428436064.db2.gz JKSUMBYQOLFNGJ-JTQLQIEISA-N 2 0 303.219 2.718 20 0 DFADRP COc1ccc(C[NH2+]CC[C@H]2CCC[NH2+]C2)c(OC(F)F)c1 ZINC000414856312 428436944 /nfs/dbraw/zinc/43/69/44/428436944.db2.gz YRLGHWFAWXDFBK-GFCCVEGCSA-N 2 0 314.376 2.776 20 0 DFADRP C[C@@H]1CCC[N@H+](Cc2ccc(NC(=O)[C@@]3(F)CC[NH2+]C3)cc2)C1 ZINC000372397156 428437060 /nfs/dbraw/zinc/43/70/60/428437060.db2.gz AQFCSSOWMRACEG-RDTXWAMCSA-N 2 0 319.424 2.559 20 0 DFADRP CSC1(C[NH2+]Cc2ccccc2N(C)C)CC[NH+](C)CC1 ZINC000353226594 428438759 /nfs/dbraw/zinc/43/87/59/428438759.db2.gz YXHYIEPAVKNKEA-UHFFFAOYSA-N 2 0 307.507 2.670 20 0 DFADRP C[NH2+]CCCNCc1c(C)nn(Cc2ccccc2Cl)c1C ZINC000414863497 428438829 /nfs/dbraw/zinc/43/88/29/428438829.db2.gz XDUNJNPOXPLEKI-UHFFFAOYSA-N 2 0 320.868 2.901 20 0 DFADRP CCOC(=O)[C@H](CC(C)C)N1CC[C@@H](Oc2ccncc2)C1 ZINC000347088796 428440456 /nfs/dbraw/zinc/44/04/56/428440456.db2.gz NHMFEAJLZFWLFD-CVEARBPZSA-N 2 0 306.406 2.513 20 0 DFADRP Cc1nn(Cc2ccc(Cl)cc2)c(C)c1C[NH2+]C[C@@H](C)C[NH3+] ZINC000414877820 428440817 /nfs/dbraw/zinc/44/08/17/428440817.db2.gz NHQHYRQRBCQYDG-LBPRGKRZSA-N 2 0 320.868 2.886 20 0 DFADRP COc1ccc([C@@H]2CC[NH2+]C[C@H]2NCc2cccs2)cc1 ZINC000414875945 428441309 /nfs/dbraw/zinc/44/13/09/428441309.db2.gz CPJHQMANGHVSFJ-DLBZAZTESA-N 2 0 302.443 2.992 20 0 DFADRP C[C@@H](C[NH3+])C[NH2+]Cc1cn(C2CCCC2)nc1-c1ccccn1 ZINC000414881087 428443091 /nfs/dbraw/zinc/44/30/91/428443091.db2.gz RYLLUZMUTBZICL-AWEZNQCLSA-N 2 0 313.449 2.745 20 0 DFADRP C[C@H](C[NH3+])C[NH2+]Cc1cn(-c2ccccc2)nc1C(C)(C)C ZINC000414881774 428443182 /nfs/dbraw/zinc/44/31/82/428443182.db2.gz SRDFAVGADUDKEL-CQSZACIVSA-N 2 0 300.450 2.854 20 0 DFADRP CSc1cc(Br)ccc1C[NH2+][C@@H](C)CC[NH3+] ZINC000414891195 428446017 /nfs/dbraw/zinc/44/60/17/428446017.db2.gz VLYZDBPCAGJXRU-VIFPVBQESA-N 2 0 303.269 2.998 20 0 DFADRP COCC[NH2+]CCNCc1ccc(Oc2cccnc2)c(C)c1 ZINC000414891900 428447226 /nfs/dbraw/zinc/44/72/26/428447226.db2.gz WLXPNWMGXLOIBX-UHFFFAOYSA-N 2 0 315.417 2.508 20 0 DFADRP CN(Cc1cnc(-c2ccccn2)s1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000347105749 428447787 /nfs/dbraw/zinc/44/77/87/428447787.db2.gz NDVWSBXIVKYUCF-PBWFPOADSA-N 2 0 314.458 2.920 20 0 DFADRP COC(=O)c1ccc(Cl)c(C[NH2+]CC2(C)CC[NH2+]CC2)c1 ZINC000414900714 428448656 /nfs/dbraw/zinc/44/86/56/428448656.db2.gz IMRZSBDJPPYRKI-UHFFFAOYSA-N 2 0 310.825 2.606 20 0 DFADRP FC(F)(F)c1ccc(-c2n[nH]cc2C[NH2+]C[C@@H]2CC[NH2+]C2)cc1 ZINC000414899512 428449301 /nfs/dbraw/zinc/44/93/01/428449301.db2.gz CLJYCHXEDCIRPG-LLVKDONJSA-N 2 0 324.350 2.795 20 0 DFADRP C[C@@H](CC[NH3+])[NH2+]Cc1cc(Cl)ccc1OC[C@H]1CCCO1 ZINC000414899472 428450418 /nfs/dbraw/zinc/45/04/18/428450418.db2.gz USPGJJRPHVPRAO-SWLSCSKDSA-N 2 0 312.841 2.725 20 0 DFADRP CC(C)[C@H]([NH3+])CC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000379644469 428450558 /nfs/dbraw/zinc/45/05/58/428450558.db2.gz CIAWWLQWKFCLFH-CGTJXYLNSA-N 2 0 317.477 2.529 20 0 DFADRP COc1ccc(C[C@H](C)C[NH2+]C[C@]2(C)CCC[NH2+]C2)cc1F ZINC000414899615 428450675 /nfs/dbraw/zinc/45/06/75/428450675.db2.gz CPRIFKMMYVGLJQ-KBXCAEBGSA-N 2 0 308.441 2.992 20 0 DFADRP CSc1cc2c(cc1C[NH+]1CCC([C@@H](C)[NH3+])CC1)OCCO2 ZINC000347114679 428451035 /nfs/dbraw/zinc/45/10/35/428451035.db2.gz UNFZKGUSCMMPML-GFCCVEGCSA-N 2 0 322.474 2.739 20 0 DFADRP Cc1ccc(C[NH2+]C[C@]2(C)CCC[NH2+]C2)c(-c2ccnn2C)c1 ZINC000414902375 428451648 /nfs/dbraw/zinc/45/16/48/428451648.db2.gz HFRMEKQPKGYTJU-LJQANCHMSA-N 2 0 312.461 2.875 20 0 DFADRP [NH3+]CCCC[NH2+]C1CCN(Cc2c(F)cccc2Cl)CC1 ZINC000414903013 428452193 /nfs/dbraw/zinc/45/21/93/428452193.db2.gz KSKSBWGVIDDULX-UHFFFAOYSA-N 2 0 313.848 2.772 20 0 DFADRP FC(F)(F)COc1cccc(C[NH2+]CC[C@H]2CCC[NH2+]2)c1 ZINC000414907642 428453020 /nfs/dbraw/zinc/45/30/20/428453020.db2.gz QSQAMHGIONNLHS-CYBMUJFWSA-N 2 0 302.340 2.859 20 0 DFADRP CC[C@H](Cn1cncn1)[NH2+][C@@H]1CCCC[C@@H]1C[NH+](CC)CC ZINC000353258821 428454036 /nfs/dbraw/zinc/45/40/36/428454036.db2.gz RSMGRLUSCROKFJ-BRWVUGGUSA-N 2 0 307.486 2.547 20 0 DFADRP CCC[C@@H]([NH2+]CC(=O)NC1CC[NH+](CC)CC1)c1ccccc1 ZINC000357256286 428455815 /nfs/dbraw/zinc/45/58/15/428455815.db2.gz KGGRFXGSAJTELU-GOSISDBHSA-N 2 0 317.477 2.718 20 0 DFADRP CCOc1c(Cl)cc(C[NH2+][C@@H]2CCC[NH2+]CC2)cc1OC ZINC000414919083 428457280 /nfs/dbraw/zinc/45/72/80/428457280.db2.gz UFZKKPRFAWCRMD-CYBMUJFWSA-N 2 0 312.841 2.979 20 0 DFADRP C[C@H](CCc1ccc2c(c1)OCO2)[NH2+]C[C@@]1(C)CCC[NH2+]C1 ZINC000414919319 428457709 /nfs/dbraw/zinc/45/77/09/428457709.db2.gz WRRIEZULWYPDQU-KDOFPFPSSA-N 2 0 304.434 2.716 20 0 DFADRP Cc1ccc([C@@H]([NH2+]C[C@@H]2CN(C)CCN2C)C2CCCC2)o1 ZINC000342791098 428457912 /nfs/dbraw/zinc/45/79/12/428457912.db2.gz DZOIUSCICDHLKL-AEFFLSMTSA-N 2 0 305.466 2.655 20 0 DFADRP COc1ccc(C[C@H](C)[NH2+]C[C@]2(C)CCC[NH2+]C2)cc1OC ZINC000414918990 428457977 /nfs/dbraw/zinc/45/79/77/428457977.db2.gz VQYMIGZOORWDPV-KBXCAEBGSA-N 2 0 306.450 2.614 20 0 DFADRP Cc1cnc(CN2CC[N@H+](Cc3ccccc3)C(C)(C)C2)n1C ZINC000342791544 428458689 /nfs/dbraw/zinc/45/86/89/428458689.db2.gz OFTKQJCARGRFKO-UHFFFAOYSA-N 2 0 312.461 2.825 20 0 DFADRP CC1(C)CCC[NH2+][C@H]1CNC1CC[NH+](CCC(F)(F)F)CC1 ZINC000414927595 428459355 /nfs/dbraw/zinc/45/93/55/428459355.db2.gz MIQIGNGYMYWLIM-AWEZNQCLSA-N 2 0 321.431 2.771 20 0 DFADRP CC[NH+]1CCN([C@@H](C)C[NH2+][C@@H](c2cccnc2)C2CCC2)CC1 ZINC000360837710 428459514 /nfs/dbraw/zinc/45/95/14/428459514.db2.gz QUYSRMDVRUUDGB-QFBILLFUSA-N 2 0 316.493 2.538 20 0 DFADRP COc1ccc(C[NH2+][C@@H]2CCC[C@H]([NH3+])C2)c(OC(F)F)c1 ZINC000414929643 428459721 /nfs/dbraw/zinc/45/97/21/428459721.db2.gz RWILLLFULMUYQG-NWDGAFQWSA-N 2 0 300.349 2.656 20 0 DFADRP CC[C@H](Cc1ccc(OC)c(OC)c1)[NH2+][C@@H]1CC[NH2+][C@H](C)C1 ZINC000414947973 428465059 /nfs/dbraw/zinc/46/50/59/428465059.db2.gz LPLPTYHYFVJCCZ-FVQBIDKESA-N 2 0 306.450 2.755 20 0 DFADRP C[C@@H]1C[NH2+]CC[C@@H]1[NH2+]Cc1ccc(F)c(Br)c1 ZINC000414953188 428468012 /nfs/dbraw/zinc/46/80/12/428468012.db2.gz JEXBPNUVFCAHKV-RNCFNFMXSA-N 2 0 301.203 2.676 20 0 DFADRP COC[C@]1(C[NH2+][C@H]2CC[C@](C)(c3ccccc3)C2)CCC[NH2+]1 ZINC000414950105 428468154 /nfs/dbraw/zinc/46/81/54/428468154.db2.gz DOUJBSIIQPUSKT-GBESFXJTSA-N 2 0 302.462 2.855 20 0 DFADRP C[C@H]1C[NH2+]CC[C@@H]1[NH2+]Cc1ccc(F)c(Br)c1 ZINC000414953190 428468236 /nfs/dbraw/zinc/46/82/36/428468236.db2.gz JEXBPNUVFCAHKV-ZANVPECISA-N 2 0 301.203 2.676 20 0 DFADRP C[C@H]1C[NH2+]CC[C@@H]1[NH2+]C1CCN(Cc2ccccc2Cl)CC1 ZINC000414949001 428468491 /nfs/dbraw/zinc/46/84/91/428468491.db2.gz ZGMXFEWYBXZTQL-KSSFIOAISA-N 2 0 321.896 2.892 20 0 DFADRP CCC(C)(C)[NH2+][C@H](C)C(=O)NCC(C)(C)[N@@H+]1CCC[C@H](C)C1 ZINC000347031515 428414989 /nfs/dbraw/zinc/41/49/89/428414989.db2.gz CCYXPOSHNMYLGL-LSDHHAIUSA-N 2 0 311.514 2.780 20 0 DFADRP CC[NH2+]CC1CC[NH+](Cc2ccc(OC)c(OCC)c2)CC1 ZINC000347034241 428416347 /nfs/dbraw/zinc/41/63/47/428416347.db2.gz CKEKTDYEAZTKJZ-UHFFFAOYSA-N 2 0 306.450 2.915 20 0 DFADRP CC[C@H](Cc1ccc(OC)c(OC)c1)[NH2+][C@H]1CCC[C@@H]1C[NH3+] ZINC000414804824 428419097 /nfs/dbraw/zinc/41/90/97/428419097.db2.gz PBXNEZZITCLYQO-OAGGEKHMSA-N 2 0 306.450 2.742 20 0 DFADRP C[C@@H]([NH3+])CC[NH2+]Cc1ccc(OC(F)F)c(Br)c1 ZINC000414821189 428421786 /nfs/dbraw/zinc/42/17/86/428421786.db2.gz KYMCCDSUJITUIQ-MRVPVSSYSA-N 2 0 323.181 2.877 20 0 DFADRP C[C@H]([NH3+])CC[NH2+]Cc1cc(Cl)ccc1OC[C@H]1CCCO1 ZINC000414818371 428422165 /nfs/dbraw/zinc/42/21/65/428422165.db2.gz DVHUVZKTCCGOAX-SWLSCSKDSA-N 2 0 312.841 2.725 20 0 DFADRP [NH3+]C[C@@H](NCc1ccc(Br)c(Cl)c1)C1CC1 ZINC000414814419 428422890 /nfs/dbraw/zinc/42/28/90/428422890.db2.gz RVKUPTGUVMPRRB-GFCCVEGCSA-N 2 0 303.631 2.929 20 0 DFADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC[C@H]([NH3+])c1ccccc1 ZINC000414826663 428424213 /nfs/dbraw/zinc/42/42/13/428424213.db2.gz FYVRUFKTNYCPHQ-UXPWSPDFSA-N 2 0 309.457 2.797 20 0 DFADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC[C@H]([NH3+])c1ccccc1 ZINC000414826658 428424541 /nfs/dbraw/zinc/42/45/41/428424541.db2.gz FYVRUFKTNYCPHQ-LSTHTHJFSA-N 2 0 309.457 2.797 20 0 DFADRP CCOc1c(Cl)cc(C[NH2+]C[C@H]2CCC[NH2+]C2)cc1OC ZINC000414821709 428425243 /nfs/dbraw/zinc/42/52/43/428425243.db2.gz BSHAKUXNDFSSJS-LBPRGKRZSA-N 2 0 312.841 2.837 20 0 DFADRP C[C@H](CC(=O)Nc1cccc(Cl)c1)[NH2+]C[C@H]1CCC[NH2+]C1 ZINC000414826817 428425272 /nfs/dbraw/zinc/42/52/72/428425272.db2.gz JREYPKDOFAMBPT-OLZOCXBDSA-N 2 0 309.841 2.646 20 0 DFADRP Cc1ccccc1NC(=O)C[C@H](C)[NH2+]CC[C@H]1CCC[NH2+]C1 ZINC000414829463 428426548 /nfs/dbraw/zinc/42/65/48/428426548.db2.gz AYTUXEXGRCJGPT-JKSUJKDBSA-N 2 0 303.450 2.691 20 0 DFADRP c1ccc(OCc2cccnc2)c(C[NH2+]CC[C@@H]2CC[NH2+]C2)c1 ZINC000414832745 428427147 /nfs/dbraw/zinc/42/71/47/428427147.db2.gz ORISXTSKXDFMKC-INIZCTEOSA-N 2 0 311.429 2.750 20 0 DFADRP CCOCc1cc(C[N@@H+]2CCC[C@H]([C@H](C)[NH3+])C2)ccc1OC ZINC000347053549 428427151 /nfs/dbraw/zinc/42/71/51/428427151.db2.gz SNMMOPQDOHPRLF-HOCLYGCPSA-N 2 0 306.450 2.791 20 0 DFADRP C[C@H](CC(=O)Nc1cccc(F)c1)[NH2+]CC[C@@H]1CCC[NH2+]C1 ZINC000414830206 428427282 /nfs/dbraw/zinc/42/72/82/428427282.db2.gz BYBXZFDEVNBUJA-KGLIPLIRSA-N 2 0 307.413 2.522 20 0 DFADRP Cc1cc(C[NH2+]CC[C@@H]2CC[NH2+]C2)sc1Br ZINC000414835365 428427909 /nfs/dbraw/zinc/42/79/09/428427909.db2.gz RPOCBGGGNKOVTA-JTQLQIEISA-N 2 0 303.269 2.908 20 0 DFADRP C[NH2+]C[C@@H](C)C[NH2+]C1CCN(Cc2ccccc2Cl)CC1 ZINC000414840794 428430728 /nfs/dbraw/zinc/43/07/28/428430728.db2.gz NKIXAMQRYBAQIR-CQSZACIVSA-N 2 0 309.885 2.750 20 0 DFADRP C[C@H](N[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1)[C@@H]1CCC[NH2+]C1 ZINC000414847713 428431941 /nfs/dbraw/zinc/43/19/41/428431941.db2.gz FXZAFIFUGAEEOB-RNIPGJKVSA-N 2 0 301.478 2.800 20 0 DFADRP C[C@@H](NC1CC[NH+](CCc2ccccc2)CC1)[C@H]1CCC[NH2+]C1 ZINC000414847576 428432141 /nfs/dbraw/zinc/43/21/41/428432141.db2.gz FUTVUJMSRHRFRQ-MJGOQNOKSA-N 2 0 315.505 2.671 20 0 DFADRP CCOc1c(OC)cc(C[NH2+][C@@H](C)[C@@H]2CCC[NH2+]C2)cc1OC ZINC000414852979 428432687 /nfs/dbraw/zinc/43/26/87/428432687.db2.gz KHXSXYDZRPJROG-DZGCQCFKSA-N 2 0 322.449 2.580 20 0 DFADRP COc1ccc(-c2n[nH]cc2C[NH2+]CCC[C@@H]2CCC[NH2+]2)cc1 ZINC000414980045 428479575 /nfs/dbraw/zinc/47/95/75/428479575.db2.gz WFQYJFLYXNNLCI-MRXNPFEDSA-N 2 0 314.433 2.707 20 0 DFADRP CC1(C)C[NH2+]CC[C@H]1[NH2+]Cc1ccc(OC[C@H]2CCCO2)cc1 ZINC000414982092 428480810 /nfs/dbraw/zinc/48/08/10/428480810.db2.gz YIUMUTQCNZZSIO-QZTJIDSGSA-N 2 0 318.461 2.722 20 0 DFADRP COc1ccc(OC(F)F)c(C[NH2+]CCC[C@@H]2CCC[NH2+]2)c1 ZINC000414982666 428481197 /nfs/dbraw/zinc/48/11/97/428481197.db2.gz YUGZQSPFLIYYBF-CYBMUJFWSA-N 2 0 314.376 2.918 20 0 DFADRP COc1ccc(OC(F)F)c(C[NH+]2CCC([C@H](C)[NH3+])CC2)c1 ZINC000347179142 428482381 /nfs/dbraw/zinc/48/23/81/428482381.db2.gz SUZKHTPVIFDHCS-NSHDSACASA-N 2 0 314.376 2.856 20 0 DFADRP C[C@H](Cc1ccccc1)C[NH+]1CCC([N@@H+](C)C[C@H](C)O)CC1 ZINC000360897340 428483181 /nfs/dbraw/zinc/48/31/81/428483181.db2.gz MAYSDQYRWKIVCX-SJORKVTESA-N 2 0 304.478 2.642 20 0 DFADRP CC(C)(C)[C@H](O)C[NH2+]C[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000393736735 428485983 /nfs/dbraw/zinc/48/59/83/428485983.db2.gz AEHVADYKICNDKA-ZWKOTPCHSA-N 2 0 304.478 2.895 20 0 DFADRP C[C@H](CCCNC(=O)OC(C)(C)C)[NH2+]C[C@@H]1CCC[N@H+](C)C1 ZINC000393922055 428486712 /nfs/dbraw/zinc/48/67/12/428486712.db2.gz AYJNZRQTCFCPLN-CABCVRRESA-N 2 0 313.486 2.611 20 0 DFADRP CCOc1ccc(C[NH+]2CCC(C[NH2+]C)CC2)cc1OCC ZINC000347190896 428487248 /nfs/dbraw/zinc/48/72/48/428487248.db2.gz FCTSXNLESLLNSM-UHFFFAOYSA-N 2 0 306.450 2.915 20 0 DFADRP Cc1nn2c(C[NH2+][C@@H](C)CCCC[NH3+])c(C(C)C)nc2s1 ZINC000415012552 428488632 /nfs/dbraw/zinc/48/86/32/428488632.db2.gz JJHZIYOOFUZISE-NSHDSACASA-N 2 0 309.483 2.830 20 0 DFADRP Cc1ccccc1NC(=O)C[C@H](C)[NH2+]C[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000415012470 428489193 /nfs/dbraw/zinc/48/91/93/428489193.db2.gz XIEOAGQFSPGSFK-ARFHVFGLSA-N 2 0 303.450 2.819 20 0 DFADRP COCC[C@H](Cc1cccc(F)c1)[NH2+]C[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000415006712 428489267 /nfs/dbraw/zinc/48/92/67/428489267.db2.gz QQMXDCJBSAOZKY-KBAYOESNSA-N 2 0 308.441 2.880 20 0 DFADRP Cc1[nH+]ccc(N2CCN(C[C@H]3CCCC[N@H+]3C)CC2)c1Cl ZINC000357343189 428490264 /nfs/dbraw/zinc/49/02/64/428490264.db2.gz ZVEOQOOCMLGGOF-OAHLLOKOSA-N 2 0 322.884 2.650 20 0 DFADRP COc1ccc2c(c1)C[C@H]([NH2+]C[C@H]1CC[C@H](C[NH3+])CC1)CC2 ZINC000415023684 428490363 /nfs/dbraw/zinc/49/03/63/428490363.db2.gz LQZIQLFKHSRNEE-IIDMSEBBSA-N 2 0 302.462 2.907 20 0 DFADRP COc1cc(C[NH2+]C(C)(C)CCC[NH3+])cc(Cl)c1OC ZINC000415018285 428490992 /nfs/dbraw/zinc/49/09/92/428490992.db2.gz QMPIEAGPMZRDJZ-UHFFFAOYSA-N 2 0 300.830 2.964 20 0 DFADRP COc1cccc2c1CC[C@@H]([NH2+]C[C@H]1CC[C@H](C[NH3+])CC1)C2 ZINC000415027450 428492795 /nfs/dbraw/zinc/49/27/95/428492795.db2.gz WHFTVXLPIZEPCW-BFYDXBDKSA-N 2 0 302.462 2.907 20 0 DFADRP Clc1cccc(Cl)c1CCC[NH2+]C[C@H]1C[NH2+]CCCO1 ZINC000415032725 428493069 /nfs/dbraw/zinc/49/30/69/428493069.db2.gz GLCIBRQYOPOKNN-LBPRGKRZSA-N 2 0 317.260 2.894 20 0 DFADRP Clc1cccc(Cl)c1CCC[NH2+]C[C@@H]1C[NH2+]CCCO1 ZINC000415032723 428493544 /nfs/dbraw/zinc/49/35/44/428493544.db2.gz GLCIBRQYOPOKNN-GFCCVEGCSA-N 2 0 317.260 2.894 20 0 DFADRP CCOc1cccc(C[NH2+][C@@H](C)CCC[NH3+])c1OC(F)F ZINC000415027718 428493796 /nfs/dbraw/zinc/49/37/96/428493796.db2.gz XHHLUDCGCAOSDU-NSHDSACASA-N 2 0 302.365 2.904 20 0 DFADRP CC(C)Oc1ccc([C@@H]2CCC[C@H]2[NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)cc1 ZINC000415037264 428494769 /nfs/dbraw/zinc/49/47/69/428494769.db2.gz MTBSLVKDJUAJEH-NTZUZEMLSA-N 2 0 300.446 2.917 20 0 DFADRP Cc1ccc(NC(=O)C[C@H](C)[NH2+][C@H]2CC[C@@H](C[NH3+])C2)c(C)c1 ZINC000415039310 428495011 /nfs/dbraw/zinc/49/50/11/428495011.db2.gz NVWCIQMWYPXHKG-XHSDSOJGSA-N 2 0 303.450 2.738 20 0 DFADRP c1cnn(-c2ccc(C[N@@H+]3CCCC[C@@H]3[C@H]3CC[NH2+]C3)cc2)c1 ZINC000415037627 428496632 /nfs/dbraw/zinc/49/66/32/428496632.db2.gz GWOYIIYFQSLYQP-PKOBYXMFSA-N 2 0 310.445 2.836 20 0 DFADRP C[C@@H]1C[C@@H](C[N@@H+]2CCN(Cc3ccccc3)[C@H](C)C2)CC[NH2+]1 ZINC000396344740 428497798 /nfs/dbraw/zinc/49/77/98/428497798.db2.gz PAVYJMJODPMGCR-LMMKCTJWSA-N 2 0 301.478 2.581 20 0 DFADRP C[NH+](C)Cc1cccc(C(=O)N(CCC[NH3+])CC2CCCC2)c1 ZINC000357358847 428497765 /nfs/dbraw/zinc/49/77/65/428497765.db2.gz XEMYTUQFKHLLID-UHFFFAOYSA-N 2 0 317.477 2.729 20 0 DFADRP Cc1nn(-c2ccc(F)cc2)c(C)c1C[NH2+][C@H]1CC[C@@H](C[NH3+])C1 ZINC000415051739 428501059 /nfs/dbraw/zinc/50/10/59/428501059.db2.gz ZOZVJJATUKYUNJ-ZBFHGGJFSA-N 2 0 316.424 2.845 20 0 DFADRP COCCOc1ccc(C[N@@H+]2CCCC[C@H]2[C@H]2CC[NH2+]C2)cc1 ZINC000415053079 428501859 /nfs/dbraw/zinc/50/18/59/428501859.db2.gz NYDMYWXUQDFODC-HKUYNNGSSA-N 2 0 318.461 2.676 20 0 DFADRP C1CC1[C@@H]1CCC[C@@H]([NH2+]C2CCC([NH+]3CCNCC3)CC2)C1 ZINC000415052788 428502022 /nfs/dbraw/zinc/50/20/22/428502022.db2.gz LIBITKJEHMLUCJ-TXQGORRRSA-N 2 0 305.510 2.761 20 0 DFADRP C[C@H](c1ccccc1)[C@H](C)[NH2+]C1CCC([NH+]2CCNCC2)CC1 ZINC000415055803 428503268 /nfs/dbraw/zinc/50/32/68/428503268.db2.gz OUZQSLARCOYEKK-BEEJXANESA-N 2 0 315.505 2.985 20 0 DFADRP C[C@@H]1C[N@H+](Cc2ccc(Oc3cnccn3)cc2)C[C@@]1(C)C[NH3+] ZINC000415056108 428504566 /nfs/dbraw/zinc/50/45/66/428504566.db2.gz PVBFONWTNNRGLZ-RDTXWAMCSA-N 2 0 312.417 2.686 20 0 DFADRP C[C@H](N[C@@H]1CCC[NH2+][C@@H]1C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000396698511 428504895 /nfs/dbraw/zinc/50/48/95/428504895.db2.gz KHZWGJLEEDMONN-QFHJOOASSA-N 2 0 301.478 2.627 20 0 DFADRP CCCOc1ccc(C[N@@H+]2C[C@@H](C)[C@](C)(C[NH3+])C2)cc1OC ZINC000415059804 428505668 /nfs/dbraw/zinc/50/56/68/428505668.db2.gz ZEQANSCOGIZUPN-RDTXWAMCSA-N 2 0 306.450 2.901 20 0 DFADRP CC(C)N(C)c1ccc(C[N@@H+]2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)cn1 ZINC000415060865 428507667 /nfs/dbraw/zinc/50/76/67/428507667.db2.gz ZBWVRUBTIXRDEO-QZTJIDSGSA-N 2 0 316.493 2.890 20 0 DFADRP COc1cc(C)c(C[N@@H+]2C[C@H](C[NH3+])[C@H](C)C[C@@H]2C)cc1OC ZINC000397404249 428510009 /nfs/dbraw/zinc/51/00/09/428510009.db2.gz SKMDLXOTAVHAOO-INWMFGNUSA-N 2 0 306.450 2.817 20 0 DFADRP COc1cc(C)c(C[N@@H+]2C[C@H](C[NH3+])[C@H](C)C[C@H]2C)cc1OC ZINC000397404258 428510452 /nfs/dbraw/zinc/51/04/52/428510452.db2.gz SKMDLXOTAVHAOO-XPKDYRNWSA-N 2 0 306.450 2.817 20 0 DFADRP COc1ccc(C(C)(C)C[NH2+]CC2CC[NH2+]CC2)cc1OC ZINC000415074137 428510687 /nfs/dbraw/zinc/51/06/87/428510687.db2.gz CAGPVXUBALSCGI-UHFFFAOYSA-N 2 0 306.450 2.571 20 0 DFADRP C[C@H]1C[C@@H](C[NH2+]Cc2ccnc(OCC(F)(F)F)c2)CC[NH2+]1 ZINC000415077680 428512754 /nfs/dbraw/zinc/51/27/54/428512754.db2.gz HSXVXLHMPGQWDM-RYUDHWBXSA-N 2 0 317.355 2.500 20 0 DFADRP C[C@@H]([NH2+]C[C@@H]1CC[NH2+][C@H](C)C1)c1cccc(N2CCCC2=O)c1 ZINC000415077343 428513033 /nfs/dbraw/zinc/51/30/33/428513033.db2.gz DSSUMTYADOAFOG-BZUAXINKSA-N 2 0 315.461 2.852 20 0 DFADRP Brc1ccccc1C1(CN[C@@H]2CCC[NH2+]C2)CC1 ZINC000415078730 428513433 /nfs/dbraw/zinc/51/34/33/428513433.db2.gz GVWBJOGRUVRDSV-GFCCVEGCSA-N 2 0 309.251 2.822 20 0 DFADRP CC[N@@H+]1C[C@@H](C)[C@@H](NC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000343075435 428513778 /nfs/dbraw/zinc/51/37/78/428513778.db2.gz AEXWFZAUCCQZJS-APWZRJJASA-N 2 0 301.478 2.581 20 0 DFADRP FC(F)(F)Oc1ccccc1CC[NH2+][C@H]1CCC[NH2+]CC1 ZINC000415085489 428515269 /nfs/dbraw/zinc/51/52/69/428515269.db2.gz QHCWMAYXPKTRON-ZDUSSCGKSA-N 2 0 302.340 2.859 20 0 DFADRP Clc1ccccc1N1CCC[C@@H]([NH2+]C[C@@H]2CCC[NH2+]C2)C1 ZINC000415085204 428516765 /nfs/dbraw/zinc/51/67/65/428516765.db2.gz QMQRHZFDBAZUMC-HUUCEWRRSA-N 2 0 307.869 2.898 20 0 DFADRP Cc1nn(-c2ccccc2)c(C)c1C[N@H+]1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000415100790 428518264 /nfs/dbraw/zinc/51/82/64/428518264.db2.gz ALCJSAKGDVJFFN-RHSMWYFYSA-N 2 0 312.461 2.906 20 0 DFADRP CC[NH+]1CCN(c2ccc(N[C@H](C)[C@H]3CC[NH2+]C3)c(C)c2)CC1 ZINC000415111439 428524176 /nfs/dbraw/zinc/52/41/76/428524176.db2.gz BZFGUFOKHAIRPT-SJORKVTESA-N 2 0 316.493 2.547 20 0 DFADRP CC[C@H](C)C[NH2+]Cc1ccc(CN2CC[NH+](CC)CC2)cc1 ZINC000357417743 428526819 /nfs/dbraw/zinc/52/68/19/428526819.db2.gz QOQWPUNKPUOUMN-KRWDZBQOSA-N 2 0 303.494 2.960 20 0 DFADRP Clc1ccccc1C[N@@H+]1CC2(CC[NH2+]CC2)[C@@H]2COC[C@@H]21 ZINC000415125413 428529584 /nfs/dbraw/zinc/52/95/84/428529584.db2.gz DULJVMSZELFNID-ZBFHGGJFSA-N 2 0 306.837 2.540 20 0 DFADRP C[C@@H]1CC[N@H+](Cc2ccc(-c3cnn(C)c3)s2)C[C@H]1C[NH3+] ZINC000415123724 428529746 /nfs/dbraw/zinc/52/97/46/428529746.db2.gz JOKRTKNPTAONIW-CHWSQXEVSA-N 2 0 304.463 2.565 20 0 DFADRP CC[NH+]1CCN(c2ccc(NC[C@@]3(C)CC[NH2+]C3)c(C)c2)CC1 ZINC000415124838 428530433 /nfs/dbraw/zinc/53/04/33/428530433.db2.gz RRCPJCAZCMDDAJ-IBGZPJMESA-N 2 0 316.493 2.548 20 0 DFADRP CC[N@@H+]1CC[C@@H](NC2C[C@H]3CC[C@@H](C2)[NH+]3Cc2ccccc2)C1 ZINC000390694456 428472600 /nfs/dbraw/zinc/47/26/00/428472600.db2.gz QZUUIDOFWBHLMA-XUBOLADHSA-N 2 0 313.489 2.866 20 0 DFADRP C[C@@H]1C[N@H+](C)C[C@H]1Nc1cccc(C[NH+]2C[C@@H](C)O[C@H](C)C2)c1 ZINC000342847432 428472809 /nfs/dbraw/zinc/47/28/09/428472809.db2.gz BSEQTKXUKFOTRS-YKTARERQSA-N 2 0 317.477 2.658 20 0 DFADRP c1cc(N2CCCC2)ncc1C[NH+]1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000347158667 428473351 /nfs/dbraw/zinc/47/33/51/428473351.db2.gz FEKGRDBDISZBFI-SFHVURJKSA-N 2 0 314.477 2.646 20 0 DFADRP Oc1ccc(Br)c(C[NH2+]CCC[C@H]2CCC[NH2+]2)c1 ZINC000414960296 428473562 /nfs/dbraw/zinc/47/35/62/428473562.db2.gz AMPPVKZKSSZOQH-LBPRGKRZSA-N 2 0 313.239 2.777 20 0 DFADRP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]C[C@H]1CCCN1Cc1ccccc1 ZINC000390564818 428473673 /nfs/dbraw/zinc/47/36/73/428473673.db2.gz OLUQPVVBVFNTGZ-IPMKNSEASA-N 2 0 301.478 2.758 20 0 DFADRP [NH3+]C[C@H]1CCC[C@@H]1NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000390722037 428474027 /nfs/dbraw/zinc/47/40/27/428474027.db2.gz ZNCRZESJTLLCJC-NWJVMNJYSA-N 2 0 313.489 2.899 20 0 DFADRP CSc1cc2c(cc1C[NH2+]CCC[C@@H]1CCC[NH2+]1)OCCO2 ZINC000414967907 428474087 /nfs/dbraw/zinc/47/40/87/428474087.db2.gz HZAJSSKMJQEAKV-CQSZACIVSA-N 2 0 322.474 2.802 20 0 DFADRP CCCOc1ccc(C[NH2+][C@H]2CC[NH2+]C[C@H]2C)cc1OCC ZINC000414962879 428474353 /nfs/dbraw/zinc/47/43/53/428474353.db2.gz SRGZLNVOXRSEMJ-ZBFHGGJFSA-N 2 0 306.450 2.962 20 0 DFADRP CC(C)(C)c1ncc(C[NH2+]CC2CC[NH+](C3CC3)CC2)cn1 ZINC000342855658 428475495 /nfs/dbraw/zinc/47/54/95/428475495.db2.gz XSSRPCDXCKLROW-UHFFFAOYSA-N 2 0 302.466 2.738 20 0 DFADRP CC[NH2+][C@H](C)CNC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000414968253 428477366 /nfs/dbraw/zinc/47/73/66/428477366.db2.gz YIUUJKIAKBFOKR-BPIHKTFHSA-N 2 0 301.478 2.770 20 0 DFADRP Cc1nn(-c2ccccn2)c(C)c1C[NH2+]CCC[C@@H]1CCC[NH2+]1 ZINC000414968108 428478191 /nfs/dbraw/zinc/47/81/91/428478191.db2.gz RGUHFCHJHVEUEF-MRXNPFEDSA-N 2 0 313.449 2.506 20 0 DFADRP Fc1ccccc1-c1n[nH]cc1C[NH2+]CCC[C@H]1CCC[NH2+]1 ZINC000414968525 428478528 /nfs/dbraw/zinc/47/85/28/428478528.db2.gz IJZCOVOKNKAWJP-AWEZNQCLSA-N 2 0 302.397 2.838 20 0 DFADRP CCCOc1cc(C[NH2+][C@H]2CC[NH2+]CC2(C)C)ccc1OC ZINC000414968488 428479021 /nfs/dbraw/zinc/47/90/21/428479021.db2.gz IGGTWJDHOOECHG-KRWDZBQOSA-N 2 0 306.450 2.962 20 0 DFADRP C[C@H](NC(=O)C[NH+]1[C@H](C)CC[C@H]1C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000358110573 428580989 /nfs/dbraw/zinc/58/09/89/428580989.db2.gz KNCBUJHRUZGCQF-WCXIOVBPSA-N 2 0 321.509 2.628 20 0 DFADRP CC[C@H]([NH2+]CCC1CC[NH+](CC)CC1)C1(C(=O)OC)CCC1 ZINC000353539385 428584027 /nfs/dbraw/zinc/58/40/27/428584027.db2.gz XDHDLYGBEHSZHC-INIZCTEOSA-N 2 0 310.482 2.820 20 0 DFADRP CCOc1cccc(C[NH+]2CCC([C@H]3C[C@H]([NH3+])CCO3)CC2)c1 ZINC000415130289 428532963 /nfs/dbraw/zinc/53/29/63/428532963.db2.gz WSYMAXJYULTCAQ-IEBWSBKVSA-N 2 0 318.461 2.804 20 0 DFADRP C[N@@H+]1CC[C@H](NC[C@H](c2ccco2)[NH+]2CCCC2)[C@H]2CCC[C@@H]21 ZINC000353442203 428535774 /nfs/dbraw/zinc/53/57/74/428535774.db2.gz OVFKWKOIZVJVKP-VSZNYVQBSA-N 2 0 317.477 2.879 20 0 DFADRP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+](C(C)C)[C@H]1CCOC1 ZINC000361081617 428536047 /nfs/dbraw/zinc/53/60/47/428536047.db2.gz MXCFRAKRWAPHKY-KRWDZBQOSA-N 2 0 300.406 2.575 20 0 DFADRP CC[C@@H](C[N@@H+]1CC2(CC[NH2+]CC2)[C@@H]2COC[C@@H]21)c1ccccc1 ZINC000415143888 428538139 /nfs/dbraw/zinc/53/81/39/428538139.db2.gz UFTPBGLOIBWHAK-UHOSZYNNSA-N 2 0 314.473 2.881 20 0 DFADRP C[NH+](C)[C@H](CN[C@@H]1CC[N@H+](C)[C@H]2CCC[C@H]21)c1ccccc1 ZINC000353438786 428538178 /nfs/dbraw/zinc/53/81/78/428538178.db2.gz VULKAKCOXXNUQI-ZSYWTGECSA-N 2 0 301.478 2.752 20 0 DFADRP c1ccc(C[N@H+]2C[C@H]3C[C@@H](C2)C3NCCC[NH+]2CCCC2)cc1 ZINC000399685280 428541412 /nfs/dbraw/zinc/54/14/12/428541412.db2.gz ZORLDFXDJAUKAN-YOFSQIOKSA-N 2 0 313.489 2.582 20 0 DFADRP C[C@H]([NH2+]CCCC[NH+](C)C)[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000400322652 428544199 /nfs/dbraw/zinc/54/41/99/428544199.db2.gz AIEAVMKMAVJYSS-GJZGRUSLSA-N 2 0 313.486 2.706 20 0 DFADRP C[C@H](NC[C@H]1CCCC[N@H+](Cc2ccccc2)C1)[C@H]1CC[NH2+]C1 ZINC000400734676 428549148 /nfs/dbraw/zinc/54/91/48/428549148.db2.gz JRKQJLPUCCPSPD-SXLOBPIMSA-N 2 0 315.505 2.876 20 0 DFADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCN[C@@H]2CC[NH+](C)[C@H]3CCC[C@@H]32)C1 ZINC000353465349 428550045 /nfs/dbraw/zinc/55/00/45/428550045.db2.gz SRQAWCXYPUCVRJ-ZRSRNVLSSA-N 2 0 307.526 2.817 20 0 DFADRP c1ccc(CN2CCC([NH2+][C@@H]3CC[C@@H]4C[NH2+]C[C@@H]4C3)CC2)cc1 ZINC000401045810 428550928 /nfs/dbraw/zinc/55/09/28/428550928.db2.gz VRTLFVGTXOZXHA-WSTZPKSXSA-N 2 0 313.489 2.629 20 0 DFADRP Brc1cc(C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)cs1 ZINC000401061344 428550951 /nfs/dbraw/zinc/55/09/51/428550951.db2.gz XHEKDTCUQDPLPX-IJLUTSLNSA-N 2 0 315.280 2.988 20 0 DFADRP COc1ccc(OC)c([C@H](C)[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000400978184 428551956 /nfs/dbraw/zinc/55/19/56/428551956.db2.gz TUTNECTZKGNOJZ-ZQDZILKHSA-N 2 0 304.434 2.743 20 0 DFADRP CC[NH+]1CCN([C@H](C)C[NH2+][C@H]2C[C@H](C)c3ccccc32)CC1 ZINC000343523462 428554570 /nfs/dbraw/zinc/55/45/70/428554570.db2.gz GIGYNBIOCZCYOL-FCEWJHQRSA-N 2 0 301.478 2.851 20 0 DFADRP Cc1cncc(CC[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)n1 ZINC000402798259 428561488 /nfs/dbraw/zinc/56/14/88/428561488.db2.gz ODHRTCSSYCHMLD-UZLBHIALSA-N 2 0 324.472 2.828 20 0 DFADRP CCN1C[C@H](C)[C@H]([NH2+]C[C@@](C)(Cc2ccccc2)[C@H](C)O)C1 ZINC000357795774 428564781 /nfs/dbraw/zinc/56/47/81/428564781.db2.gz QUOJUCVDDXQCLR-RNIPGJKVSA-N 2 0 304.478 2.546 20 0 DFADRP C[N@@H+]1CC[C@H]([NH2+]Cc2ccccc2-n2ccnc2)[C@@H]2CCC[C@@H]21 ZINC000353494660 428565866 /nfs/dbraw/zinc/56/58/66/428565866.db2.gz DIIXSUGJCOKNNL-LNLFQRSKSA-N 2 0 310.445 2.835 20 0 DFADRP Cn1ccnc1C[NH2+]C1CCC([N@H+](C)Cc2ccccc2)CC1 ZINC000353504710 428567560 /nfs/dbraw/zinc/56/75/60/428567560.db2.gz SIAQPFMUQUSXAS-UHFFFAOYSA-N 2 0 312.461 2.953 20 0 DFADRP C[C@@H]1C[N@@H+](CCCC[NH2+][C@@H]2CCC[C@@H]2CCF)C[C@H](C)O1 ZINC000353499998 428567624 /nfs/dbraw/zinc/56/76/24/428567624.db2.gz FDNAMLJGXDQHCV-YYIAUSFCSA-N 2 0 300.462 2.994 20 0 DFADRP O=C(NC1CC([NH+]2CCCCC2)C1)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC000357857105 428567802 /nfs/dbraw/zinc/56/78/02/428567802.db2.gz LBGCJSFDQURGFK-VMWRSERWSA-N 2 0 319.493 2.527 20 0 DFADRP COc1ccc(CC[NH2+][C@@H]2CC[N@H+](C)[C@H]3CCC[C@@H]32)c(OC)c1 ZINC000353503811 428568251 /nfs/dbraw/zinc/56/82/51/428568251.db2.gz PXOPIIKYVGZRQA-KURKYZTESA-N 2 0 318.461 2.709 20 0 DFADRP c1ccc(C[N@@H+]2C[C@H]3CN(CCC[NH+]4CCCC4)C[C@H]3C2)cc1 ZINC000373406740 428569331 /nfs/dbraw/zinc/56/93/31/428569331.db2.gz XJNRUSKUTQSVDF-BGYRXZFFSA-N 2 0 313.489 2.536 20 0 DFADRP C[C@@H]1C[C@H](N(C)C(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)CC[N@@H+]1C ZINC000361494977 428572364 /nfs/dbraw/zinc/57/23/64/428572364.db2.gz BBEJFIAZDSNKBA-JFIYKMOQSA-N 2 0 321.509 2.582 20 0 DFADRP C[C@H](CC1CCOCC1)[NH2+]CCCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000358044249 428578463 /nfs/dbraw/zinc/57/84/63/428578463.db2.gz IFNCRWCMNSROTA-BRWVUGGUSA-N 2 0 312.498 2.671 20 0 DFADRP COCCC(C)(C)C[NH2+][C@@H]1CC[N@H+](C[C@@H]2CCCO2)C[C@@H]1C ZINC000373528796 428598288 /nfs/dbraw/zinc/59/82/88/428598288.db2.gz JSZMJGXXXTWURL-YESZJQIVSA-N 2 0 312.498 2.528 20 0 DFADRP C[C@@H]1CCC[C@H]([NH+]2CCC([NH2+][C@@H]3CCc4nc[nH]c4C3)CC2)C1 ZINC000353642002 428634946 /nfs/dbraw/zinc/63/49/46/428634946.db2.gz KINVGCNJVKQCJI-OIISXLGYSA-N 2 0 316.493 2.900 20 0 DFADRP COCCOCc1ccc(C[NH+]2CCC(C[NH+](C)C)CC2)cc1 ZINC000347580350 428611590 /nfs/dbraw/zinc/61/15/90/428611590.db2.gz FZEYKCAFBACGAM-UHFFFAOYSA-N 2 0 320.477 2.623 20 0 DFADRP C[NH+](C)CCOCC[NH2+][C@H](C[C@H]1CCCO1)c1ccc(F)cc1 ZINC000353595356 428614678 /nfs/dbraw/zinc/61/46/78/428614678.db2.gz JQZZRRGWLQWWJQ-QZTJIDSGSA-N 2 0 324.440 2.604 20 0 DFADRP C[C@@H]1CCC[C@@H]([NH2+]Cc2ccncc2OCC[NH+](C)C)[C@@H]1C ZINC000344042253 428618144 /nfs/dbraw/zinc/61/81/44/428618144.db2.gz JVVITUHFQGBCSA-BFYDXBDKSA-N 2 0 305.466 2.936 20 0 DFADRP CCc1cccc(F)c1C[N@H+](C)CC1CC[NH+](C[C@@H](C)O)CC1 ZINC000353615800 428622140 /nfs/dbraw/zinc/62/21/40/428622140.db2.gz LWLWGANYVXJWPS-OAHLLOKOSA-N 2 0 322.468 2.913 20 0 DFADRP CCC[NH+]1CCC(N(C)C(=O)Nc2ccccc2C[NH2+]C)CC1 ZINC000415910618 428625140 /nfs/dbraw/zinc/62/51/40/428625140.db2.gz IMIBRCAXIRMOLF-UHFFFAOYSA-N 2 0 318.465 2.744 20 0 DFADRP CCC(CC)[C@H](CNC(=O)Nc1ccccc1C[NH2+]C)[NH+](C)C ZINC000415912679 428625663 /nfs/dbraw/zinc/62/56/63/428625663.db2.gz MLYNFMOECVERIV-KRWDZBQOSA-N 2 0 320.481 2.894 20 0 DFADRP C[N@@H+]1CC[C@H]([NH2+]CC[C@@H]2COc3ccccc3O2)[C@H]2CCC[C@H]21 ZINC000353621321 428625769 /nfs/dbraw/zinc/62/57/69/428625769.db2.gz LYAFNIUDJHIGRB-WCXIOVBPSA-N 2 0 316.445 2.679 20 0 DFADRP C[NH2+]Cc1cccc(NC(=O)N[C@@H](C)C[N@@H+]2CCC[C@H](C)C2)c1 ZINC000415924922 428628134 /nfs/dbraw/zinc/62/81/34/428628134.db2.gz ZFWFKYWZYANODR-GJZGRUSLSA-N 2 0 318.465 2.648 20 0 DFADRP C[C@H]([NH2+][C@H]1CCc2nc[nH]c2C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000353623175 428629265 /nfs/dbraw/zinc/62/92/65/428629265.db2.gz ODPVZIIVHPPAAA-JQHSSLGASA-N 2 0 324.472 2.767 20 0 DFADRP C[NH2+]Cc1cccc(NC(=O)N[C@@H](C)C[N@@H+]2CCC[C@@H](C)C2)c1 ZINC000415924921 428629427 /nfs/dbraw/zinc/62/94/27/428629427.db2.gz ZFWFKYWZYANODR-CABCVRRESA-N 2 0 318.465 2.648 20 0 DFADRP CO[C@H](C[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@@H]21)c1ccc(F)cc1 ZINC000353631567 428630408 /nfs/dbraw/zinc/63/04/08/428630408.db2.gz LYBDKPMRRITBNP-ZJPYXAASSA-N 2 0 306.425 2.976 20 0 DFADRP CCC[N@H+](CC)Cc1ccc(C(=O)NCC[NH+]2CCCC2)cc1 ZINC000358699058 428632151 /nfs/dbraw/zinc/63/21/51/428632151.db2.gz UTLWMBWTFRBZPM-UHFFFAOYSA-N 2 0 317.477 2.744 20 0 DFADRP CC[NH2+]Cc1ccccc1NC(=O)N(C)C[C@@H]1CCC[N@@H+]1CC ZINC000415941261 428633017 /nfs/dbraw/zinc/63/30/17/428633017.db2.gz FZZDKXSOIOYFMF-INIZCTEOSA-N 2 0 318.465 2.744 20 0 DFADRP COCCC[NH+]1CCC([NH2+][C@@H]2CCc3c2cccc3F)CC1 ZINC000268852718 274019836 /nfs/dbraw/zinc/01/98/36/274019836.db2.gz PLDAMNIDSRGVHW-GOSISDBHSA-N 2 0 306.425 2.904 20 0 DFADRP C[C@H](CNC(=O)Nc1ccc(C[NH3+])cc1)[N@@H+]1CCCC[C@@H]1C ZINC000415972151 428637458 /nfs/dbraw/zinc/63/74/58/428637458.db2.gz HJMYADQIENVQHR-UONOGXRCSA-N 2 0 304.438 2.530 20 0 DFADRP C[C@@H]1C[N@H+](C)CC[C@@H]1N[C@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000358722946 428642673 /nfs/dbraw/zinc/64/26/73/428642673.db2.gz LKWZEJBIGSLATK-UMGGQSCQSA-N 2 0 315.505 2.969 20 0 DFADRP Cc1cc(N(C)C[C@@H]2CCC[N@H+](C)[C@@H]2c2ccnn2C)cc[nH+]1 ZINC000344444254 428643189 /nfs/dbraw/zinc/64/31/89/428643189.db2.gz FGXJOCHMRGUDJO-YJBOKZPZSA-N 2 0 313.449 2.643 20 0 DFADRP CCC[N@H+](CC)CCNC(=O)Nc1ccccc1C[NH2+]CC ZINC000415958881 428635978 /nfs/dbraw/zinc/63/59/78/428635978.db2.gz RVLUIWULGLWNGX-UHFFFAOYSA-N 2 0 306.454 2.650 20 0 DFADRP CCCC[C@H]([NH3+])C(=O)N1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000353702973 428667336 /nfs/dbraw/zinc/66/73/36/428667336.db2.gz KTPAUOODHBDRTG-ZACQAIPSSA-N 2 0 309.498 2.617 20 0 DFADRP C[C@@H]([NH2+]CC1=CCCOC1)c1ccc(OCC[NH+](C)C)cc1 ZINC000348213933 428659943 /nfs/dbraw/zinc/65/99/43/428659943.db2.gz JOZOQICBTKOBCB-OAHLLOKOSA-N 2 0 304.434 2.624 20 0 DFADRP CC[NH+](CC)CCCC1CC[NH+](CCc2cnn(C)c2)CC1 ZINC000348293366 428697941 /nfs/dbraw/zinc/69/79/41/428697941.db2.gz PSEAWLNWHBKONL-UHFFFAOYSA-N 2 0 306.498 2.797 20 0 DFADRP CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)C[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC000416241669 428698552 /nfs/dbraw/zinc/69/85/52/428698552.db2.gz DLSKDTMNXUUNJY-MSOLQXFVSA-N 2 0 317.477 2.621 20 0 DFADRP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccc(NC(C)=O)cc2)C[C@@H]1C ZINC000353754807 428698572 /nfs/dbraw/zinc/69/85/72/428698572.db2.gz QLOMBENTYNAOQK-KBXCAEBGSA-N 2 0 303.450 2.950 20 0 DFADRP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccc(NC(C)=O)cc2)C[C@H]1C ZINC000353754815 428700323 /nfs/dbraw/zinc/70/03/23/428700323.db2.gz QLOMBENTYNAOQK-RDTXWAMCSA-N 2 0 303.450 2.950 20 0 DFADRP C[NH+](C)[C@@H](CC(=O)NCC[C@H]1CCC[N@H+](C)C1)c1ccccc1 ZINC000416253133 428700736 /nfs/dbraw/zinc/70/07/36/428700736.db2.gz QNPAYKVNJTYJBB-AEFFLSMTSA-N 2 0 317.477 2.528 20 0 DFADRP CC(C)(C)[NH+]1CCC([NH2+]C[C@](C)(CO)c2ccccc2)CC1 ZINC000348318470 428704707 /nfs/dbraw/zinc/70/47/07/428704707.db2.gz XTBNDDNXKBYBOQ-LJQANCHMSA-N 2 0 304.478 2.789 20 0 DFADRP CC(C)(C)[NH+]1CCC([NH2+]C[C@@](C)(CO)c2ccccc2)CC1 ZINC000348318468 428705083 /nfs/dbraw/zinc/70/50/83/428705083.db2.gz XTBNDDNXKBYBOQ-IBGZPJMESA-N 2 0 304.478 2.789 20 0 DFADRP CC(C)(C)OCC[NH+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000348325388 428708944 /nfs/dbraw/zinc/70/89/44/428708944.db2.gz HSJIFZQONHDLQF-ROUUACIJSA-N 2 0 302.462 2.865 20 0 DFADRP C[C@H](C[N@@H+]1CCN(C2CC[NH+](C)CC2)[C@@H](C)C1)c1ccccc1 ZINC000374610761 428712542 /nfs/dbraw/zinc/71/25/42/428712542.db2.gz HTGLDMLYQFARPW-MSOLQXFVSA-N 2 0 315.505 2.890 20 0 DFADRP CC(C)[N@@H+]1CCCN(C(=O)C[C@@H](c2ccccc2)[NH+](C)C)CC1 ZINC000416146930 428676978 /nfs/dbraw/zinc/67/69/78/428676978.db2.gz QJCXGZSPQLEFBJ-SFHVURJKSA-N 2 0 317.477 2.622 20 0 DFADRP CC(C)C[C@@H]([NH3+])C(=O)Nc1cccc(CC[NH+]2CCCC2)c1 ZINC000353730518 428680000 /nfs/dbraw/zinc/68/00/00/428680000.db2.gz QZBYYJKSBHUGCS-QGZVFWFLSA-N 2 0 303.450 2.637 20 0 DFADRP CN(C)CC[NH+]1CCC(C[NH2+]C[C@@H]2C[C@@H]2c2ccccc2)CC1 ZINC000348251943 428680530 /nfs/dbraw/zinc/68/05/30/428680530.db2.gz ALTSKLWKXAMSRO-VQTJNVASSA-N 2 0 315.505 2.653 20 0 DFADRP CCN1C[C@H]([NH2+]CCC2CCN(CC(F)(F)F)CC2)[C@@H](C)C1 ZINC000344599394 428680727 /nfs/dbraw/zinc/68/07/27/428680727.db2.gz FJUNMOGRDTWWHH-ZFWWWQNUSA-N 2 0 321.431 2.581 20 0 DFADRP c1ccc(CN2CCC[C@]3(CC[N@@H+]([C@H]4CCOC4)C3)C2)cc1 ZINC000348277634 428689852 /nfs/dbraw/zinc/68/98/52/428689852.db2.gz SWXNBBHTYNJYPP-OALUTQOASA-N 2 0 300.446 2.763 20 0 DFADRP C[C@@H]1C[N@@H+](CC2CC[NH+](CCc3cncs3)CC2)C[C@H](C)O1 ZINC000411223116 428762320 /nfs/dbraw/zinc/76/23/20/428762320.db2.gz XPBKDXRLSRDAMH-GASCZTMLSA-N 2 0 323.506 2.507 20 0 DFADRP CC[NH+]1CCN(c2ccccc2C[N@@H+]2C[C@H](C)[C@H](C)C2)CC1 ZINC000353884915 428762514 /nfs/dbraw/zinc/76/25/14/428762514.db2.gz ZDANZVMCJIHFHQ-CALCHBBNSA-N 2 0 301.478 2.916 20 0 DFADRP CC(C)[C@@H]([NH2+]CCOCC[NH+](C)C)c1cc(F)ccc1F ZINC000358993348 428763924 /nfs/dbraw/zinc/76/39/24/428763924.db2.gz BBLAZUCFLDEIGH-MRXNPFEDSA-N 2 0 300.393 2.830 20 0 DFADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CC2(C(F)F)CC2)[C@@H](C)C1 ZINC000359005913 428770733 /nfs/dbraw/zinc/77/07/33/428770733.db2.gz WYJSKEVBPUTOSM-UONOGXRCSA-N 2 0 304.425 2.758 20 0 DFADRP CCOC(=O)C1(C)CCC([NH2+][C@H](C)CN2CCCCC2)CC1 ZINC000353909408 428771912 /nfs/dbraw/zinc/77/19/12/428771912.db2.gz APLCIOBZZOYRMK-KLHKWILBSA-N 2 0 310.482 2.962 20 0 DFADRP CC[NH+]1CCC(NC(=O)C[NH2+][C@@H]2CCCC[C@H]2C(C)(C)C)CC1 ZINC000411365049 428781909 /nfs/dbraw/zinc/78/19/09/428781909.db2.gz MTKOKKUZBPOVJM-IAGOWNOFSA-N 2 0 323.525 2.781 20 0 DFADRP CC(C)[C@@H]([NH2+]C[C@H]1CN(C)CCN1C)c1cc2ccccc2o1 ZINC000345177704 428786636 /nfs/dbraw/zinc/78/66/36/428786636.db2.gz RZHPFQKICRGMLS-QFBILLFUSA-N 2 0 315.461 2.965 20 0 DFADRP OC[C@@H]1CCC[N@H+](Cc2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC000411145616 428746730 /nfs/dbraw/zinc/74/67/30/428746730.db2.gz CMCYOVKBBQPKRW-LJQANCHMSA-N 2 0 302.462 2.877 20 0 DFADRP C[C@@H]1CC[C@@H](C)[NH+]1[C@H]1CCCN(C(=O)C[NH+]2CCC(C)CC2)C1 ZINC000353856243 428750075 /nfs/dbraw/zinc/75/00/75/428750075.db2.gz VWNAKZQROPVBBR-KURKYZTESA-N 2 0 321.509 2.582 20 0 DFADRP CO[C@H]1C[C@@H]([NH+](C)CCC(C)CC[N@@H+](C)[C@H]2C[C@@H](OC)C2)C1 ZINC000411718793 428846885 /nfs/dbraw/zinc/84/68/85/428846885.db2.gz LYBVRCGBPQWCRA-BALXVJCKSA-N 2 0 312.498 2.621 20 0 DFADRP CC(C)[N@H+](C)CC(=O)NC1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC000363061079 428850310 /nfs/dbraw/zinc/85/03/10/428850310.db2.gz HRICDOQTOJZHSJ-MRXNPFEDSA-N 2 0 317.477 2.668 20 0 DFADRP CC1(C)CC(NC(=O)NCC2([NH3+])CCCCCC2)CC(C)(C)[NH2+]1 ZINC000416790357 428795848 /nfs/dbraw/zinc/79/58/48/428795848.db2.gz GIOXJFQZIUYDDO-UHFFFAOYSA-N 2 0 324.513 2.647 20 0 DFADRP C[N@H+](CCC1(O)CCC1)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000411424932 428796041 /nfs/dbraw/zinc/79/60/41/428796041.db2.gz LZPDYEZDACTULJ-UHFFFAOYSA-N 2 0 303.450 2.535 20 0 DFADRP CC[C@H]1C[N@H+](Cc2ccc(C[NH+]3CCCCC3)cc2)C[C@H]1O ZINC000411427072 428796883 /nfs/dbraw/zinc/79/68/83/428796883.db2.gz QDDSUACYWZKIRE-RBUKOAKNSA-N 2 0 302.462 2.875 20 0 DFADRP CC[NH+]1CCC(NC(=O)C[NH2+][C@@H](C)c2cccc(C)c2C)CC1 ZINC000411471702 428802916 /nfs/dbraw/zinc/80/29/16/428802916.db2.gz QQIBWEDQOBUXEA-INIZCTEOSA-N 2 0 317.477 2.555 20 0 DFADRP COCC[N@H+](C)CCC[NH2+]Cc1cc2c(cc(C)cc2C)[nH]1 ZINC000359084925 428810382 /nfs/dbraw/zinc/81/03/82/428810382.db2.gz SGNVAZFDGNTQDG-UHFFFAOYSA-N 2 0 303.450 2.843 20 0 DFADRP CCCCNC(=O)CC[NH2+][C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000411520629 428811002 /nfs/dbraw/zinc/81/10/02/428811002.db2.gz WJUAIHRATUICRI-HOTGVXAUSA-N 2 0 309.498 2.535 20 0 DFADRP C[C@H]([NH2+][C@H]1CCCCC[C@@H]1O)c1ccc(OCC[NH+](C)C)cc1 ZINC000348684341 428813108 /nfs/dbraw/zinc/81/31/08/428813108.db2.gz PDHPZPWCAZKGKT-SNRMKQJTSA-N 2 0 320.477 2.971 20 0 DFADRP CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)C[NH+]1[C@@H](C)CC[C@@H]1C ZINC000345251384 428816083 /nfs/dbraw/zinc/81/60/83/428816083.db2.gz QCGMRXPXLHLTJQ-YESZJQIVSA-N 2 0 309.498 2.630 20 0 DFADRP CC[C@H]1CCCC[C@H]1[NH2+]CC(=O)NC1CC[NH+](C(C)C)CC1 ZINC000411553759 428817556 /nfs/dbraw/zinc/81/75/56/428817556.db2.gz SAHGVXOHHBFSNB-DOTOQJQBSA-N 2 0 309.498 2.534 20 0 DFADRP CC(=O)N1CCC([NH2+]C2CC[NH+]([C@@H]3CCCC[C@@H]3C)CC2)CC1 ZINC000359116731 428824134 /nfs/dbraw/zinc/82/41/34/428824134.db2.gz QRWDKFSYUNGOOF-HNAYVOBHSA-N 2 0 321.509 2.630 20 0 DFADRP Cc1csc(N2CCC([NH2+][C@H]3CC[N@@H+]4CCC[C@H]4C3)CC2)n1 ZINC000359116743 428824831 /nfs/dbraw/zinc/82/48/31/428824831.db2.gz QUWUUNZJOWZZEN-HOTGVXAUSA-N 2 0 320.506 2.637 20 0 DFADRP C[C@H]1CC[N@H+](Cc2ccc(C[NH+]3CCCCC3)cc2)[C@@H]1CO ZINC000411614231 428826270 /nfs/dbraw/zinc/82/62/70/428826270.db2.gz KPBSWBDUUHMSRV-QFBILLFUSA-N 2 0 302.462 2.875 20 0 DFADRP CC[NH+](CC)CCOC1CC[NH+](Cc2cccc(O)c2)CC1 ZINC000354033409 428832226 /nfs/dbraw/zinc/83/22/26/428832226.db2.gz LDEDVXSFYAZDSE-UHFFFAOYSA-N 2 0 306.450 2.715 20 0 DFADRP CC[NH+](CC)[C@H](C(=O)N1[C@@H]2CC[C@H]1C[C@H]([NH3+])C2)c1ccccc1 ZINC000375251649 428833190 /nfs/dbraw/zinc/83/31/90/428833190.db2.gz AHQPUYHSBFTSHO-FJIDUMEYSA-N 2 0 315.461 2.550 20 0 DFADRP C[C@@H]1[C@H](CO)CC[N@@H+]1Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000411655607 428833416 /nfs/dbraw/zinc/83/34/16/428833416.db2.gz LNPOOMQATMIUSQ-APWZRJJASA-N 2 0 302.462 2.875 20 0 DFADRP C[C@H](c1ccc(-n2cncn2)cc1)[N@H+](C)CCC1CC[NH2+]CC1 ZINC000359208408 428866991 /nfs/dbraw/zinc/86/69/91/428866991.db2.gz JISRPWAJYFRUBX-OAHLLOKOSA-N 2 0 313.449 2.650 20 0 DFADRP c1ccc2nc(N3CC[NH+](CCC4CC[NH2+]CC4)CC3)ccc2c1 ZINC000359208680 428867593 /nfs/dbraw/zinc/86/75/93/428867593.db2.gz CMZXDYJMFWLEFO-UHFFFAOYSA-N 2 0 324.472 2.747 20 0 DFADRP Cc1cnc(CN(CC[NH+](C)C)Cc2ccc(F)c(F)c2)n1C ZINC000349062456 428911918 /nfs/dbraw/zinc/91/19/18/428911918.db2.gz LZESJBJTKLAHPL-UHFFFAOYSA-N 2 0 322.403 2.571 20 0 DFADRP c1ccc(COC[C@H]2CC[N@@H+](CCC3CC[NH2+]CC3)C2)cc1 ZINC000359222940 428871687 /nfs/dbraw/zinc/87/16/87/428871687.db2.gz RFEYACHQHHSYSY-IBGZPJMESA-N 2 0 302.462 2.915 20 0 DFADRP CCOC[C@H]1CCC[C@H]1[NH2+]Cc1ccccc1OCC[NH+](C)C ZINC000354133335 428877304 /nfs/dbraw/zinc/87/73/04/428877304.db2.gz DBYQGYXNBDJKCK-QZTJIDSGSA-N 2 0 320.477 2.922 20 0 DFADRP COC(=O)C[C@@H]1CC[C@H]([NH2+]C[C@@H](C)C[NH+]2CCCCC2)[C@H]1C ZINC000354148987 428886914 /nfs/dbraw/zinc/88/69/14/428886914.db2.gz ZDTMGTXEKKQMJD-QZWWFDLISA-N 2 0 310.482 2.676 20 0 DFADRP CC[C@H](C)NC(=O)CNC[C@H]1CCC[N@H+](C)[C@@H]1c1ccccc1 ZINC000375476350 428895282 /nfs/dbraw/zinc/89/52/82/428895282.db2.gz PEGDFFIWXHEYSX-KVSKMBFKSA-N 2 0 317.477 2.574 20 0 DFADRP COc1ccc(C[N@@H+]2CCCC23CC[NH+](C)CC3)c(OC)c1 ZINC000375506616 428903384 /nfs/dbraw/zinc/90/33/84/428903384.db2.gz KRKDRDGSJMRPEF-UHFFFAOYSA-N 2 0 304.434 2.764 20 0 DFADRP C[C@@H](C(=O)N1CCC[C@H]1C[NH+]1CCCCC1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000411991914 428903768 /nfs/dbraw/zinc/90/37/68/428903768.db2.gz ZELWTJGOGFMVTF-MHORFTMASA-N 2 0 321.509 2.725 20 0 DFADRP C[C@H](C(=O)NCC[NH+]1[C@@H](C)CCC[C@@H]1C)[NH+]1CCCCCC1 ZINC000345505074 428913847 /nfs/dbraw/zinc/91/38/47/428913847.db2.gz JLEYIJWQSWLQBE-YESZJQIVSA-N 2 0 309.498 2.630 20 0 DFADRP Cc1cccc(NC(=O)C[C@H](C)[NH2+]CCC2=CC[NH2+]CC2)c1C ZINC000423549098 428971140 /nfs/dbraw/zinc/97/11/40/428971140.db2.gz HIHHIUKVYKURBZ-HNNXBMFYSA-N 2 0 315.461 2.920 20 0 DFADRP CC(C)C[C@H](C[NH2+]C[C@@H](O)C[NH+]1CCCC1)c1ccccc1 ZINC000354211700 428919040 /nfs/dbraw/zinc/91/90/40/428919040.db2.gz NMXCFJWKIRCLCR-RTBURBONSA-N 2 0 304.478 2.863 20 0 DFADRP C[C@H](N[C@@H]1CCCC[NH2+]C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000423549619 428971186 /nfs/dbraw/zinc/97/11/86/428971186.db2.gz HXFDMMSVDPBEDK-QXAKKESOSA-N 2 0 301.478 2.629 20 0 DFADRP CC(C)[C@H](C[NH2+]CCC[NH+]1CCC(O)CC1)c1ccccc1 ZINC000354217032 428919638 /nfs/dbraw/zinc/91/96/38/428919638.db2.gz PHTPZQQOKDYBET-IBGZPJMESA-N 2 0 304.478 2.863 20 0 DFADRP CC[N@@H+]1CC[C@@H]([NH+](C)CCC(=O)NCC2CCCCC2)C[C@@H]1C ZINC000354226267 428927949 /nfs/dbraw/zinc/92/79/49/428927949.db2.gz VXZQTQCOKRJJTO-FUHWJXTLSA-N 2 0 323.525 2.878 20 0 DFADRP Cc1ccn2c(C[N@H+]3CC[C@H](C4CC[NH+](C)CC4)C3)cnc2c1 ZINC000349183357 428933693 /nfs/dbraw/zinc/93/36/93/428933693.db2.gz GNXNEFZMAXVRSY-KRWDZBQOSA-N 2 0 312.461 2.806 20 0 DFADRP COc1cc(C)nc(C[N@@H+]2CC[C@H](C3CC[NH+](C)CC3)C2)c1 ZINC000349190182 428936144 /nfs/dbraw/zinc/93/61/44/428936144.db2.gz MNXIWKLWGRZYDD-INIZCTEOSA-N 2 0 303.450 2.562 20 0 DFADRP CC(C)[C@@H]([NH2+]CCCC[N@@H+]1CCC[C@H]1CO)c1cccnc1 ZINC000359378949 428946012 /nfs/dbraw/zinc/94/60/12/428946012.db2.gz CSRXMAWWZNUTJU-ZWKOTPCHSA-N 2 0 305.466 2.605 20 0 DFADRP Cc1cc([C@@H]([NH2+][C@@H](C)CN2CC[NH+](C)CC2)C2CC2)ccc1F ZINC000359396996 428954070 /nfs/dbraw/zinc/95/40/70/428954070.db2.gz XKLYFOGQTDVKOY-KXBFYZLASA-N 2 0 319.468 2.811 20 0 DFADRP c1cc(-c2ccc(CN3C[C@@H]4C[N@@H+]5CCCC[C@@H]5[C@@H]4C3)o2)n[nH]1 ZINC000375755791 428963404 /nfs/dbraw/zinc/96/34/04/428963404.db2.gz GADNDIGNTUHKBH-FRFSOERESA-N 2 0 312.417 2.586 20 0 DFADRP CC[C@H](C[N@H+](C)CCCN1CC[NH+](C)CC1)c1ccccc1 ZINC000349337100 428964183 /nfs/dbraw/zinc/96/41/83/428964183.db2.gz ZBCLHXBYXOKMFS-GOSISDBHSA-N 2 0 303.494 2.750 20 0 DFADRP C[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+]CC[C@@H](O)C(F)(F)F)CC1 ZINC000349336712 428964461 /nfs/dbraw/zinc/96/44/61/428964461.db2.gz XOMJDDRYWZDJAD-BPLDGKMQSA-N 2 0 322.415 2.932 20 0 DFADRP C[C@@H]1CCC[C@@H]([NH+]2CCC([NH2+]CC[C@H](O)C(F)(F)F)CC2)C1 ZINC000349331573 428964679 /nfs/dbraw/zinc/96/46/79/428964679.db2.gz LVAFNNYUHJDTMP-YUELXQCFSA-N 2 0 322.415 2.932 20 0 DFADRP c1cc2cc(C[NH2+]C[C@H]3CN4CCCC[C@H]4CO3)ccc2o1 ZINC000375765437 428965982 /nfs/dbraw/zinc/96/59/82/428965982.db2.gz VTJXHVIGVTVOAW-IRXDYDNUSA-N 2 0 300.402 2.776 20 0 DFADRP C[C@@H]1C[C@H]([NH2+]CCC2=CC[NH2+]CC2)CCN1Cc1ccccc1 ZINC000423538445 428967068 /nfs/dbraw/zinc/96/70/68/428967068.db2.gz MVZXFFOWDOWGFX-YLJYHZDGSA-N 2 0 313.489 2.939 20 0 DFADRP COc1cccc2c1CC[C@H]([NH2+][C@@H]1CC[C@H]3C[NH2+]C[C@@H]3C1)C2 ZINC000423539840 428967555 /nfs/dbraw/zinc/96/75/55/428967555.db2.gz IYDZQYMQINGCIB-NXOAAHMSSA-N 2 0 300.446 2.530 20 0 DFADRP c1ccc(C[C@H]([NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)c2cccnc2)nc1 ZINC000423539313 428967637 /nfs/dbraw/zinc/96/76/37/428967637.db2.gz ICMUZMDERZOVFZ-VUBSUSDNSA-N 2 0 322.456 2.738 20 0 DFADRP Cc1cccc(NC[C@H]2CCC[N@@H+]2Cc2ccc(CO)cc2)n1 ZINC000375774827 428968383 /nfs/dbraw/zinc/96/83/83/428968383.db2.gz CGYTVXSWUDKWLX-GOSISDBHSA-N 2 0 311.429 2.959 20 0 DFADRP C[C@@H]([NH2+]CCC1=CC[NH2+]CC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000423536336 428968646 /nfs/dbraw/zinc/96/86/46/428968646.db2.gz HITYBKZDDATUMD-XLIONFOSSA-N 3 0 313.489 2.796 20 0 DFADRP C[C@H]1C[C@@H]([NH2+]CCC2=CC[NH2+]CC2)CCN1Cc1ccccc1 ZINC000423538442 428968812 /nfs/dbraw/zinc/96/88/12/428968812.db2.gz MVZXFFOWDOWGFX-PXNSSMCTSA-N 2 0 313.489 2.939 20 0 DFADRP C[C@H](c1ccccc1)N1CC[C@H]([NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)C1 ZINC000423545109 428969349 /nfs/dbraw/zinc/96/93/49/428969349.db2.gz OTUHQBVCWHJGPO-ZKIDJSGLSA-N 2 0 313.489 2.800 20 0 DFADRP COc1ccc(C[C@H](C)[NH2+]CCC[NH2+]C2CC2)c(C)c1OC ZINC000423543017 428969411 /nfs/dbraw/zinc/96/94/11/428969411.db2.gz BNQYPJLUATUGJA-ZDUSSCGKSA-N 2 0 306.450 2.675 20 0 DFADRP C([NH+]1CCC2(CC2)CC1)C1(C[NH+]2CCC3(CC3)CC2)COC1 ZINC000363692400 428969802 /nfs/dbraw/zinc/96/98/02/428969802.db2.gz VVGXXKYTIWEIJK-UHFFFAOYSA-N 2 0 304.478 2.755 20 0 DFADRP C[C@H]([NH2+]CCC[N@@H+]1CCC[C@@H](C(N)=O)C1)[C@@H](C)C1CCCCC1 ZINC000354327364 428970160 /nfs/dbraw/zinc/97/01/60/428970160.db2.gz GVSUZWVDCIBOKA-SOLBZPMBSA-N 2 0 323.525 2.768 20 0 DFADRP C[N@@H+]1CC[C@H]([NH2+]Cc2cccc3c2OCCCO3)[C@H]2CCC[C@H]21 ZINC000375788248 428970389 /nfs/dbraw/zinc/97/03/89/428970389.db2.gz IPLJFRWRMOLJCR-IXDOHACOSA-N 2 0 316.445 2.810 20 0 DFADRP Cc1cc(C[NH+](C)C)cc(NC(=O)[C@H]2CCCC[C@@]2(C)[NH3+])c1 ZINC000423779664 429016598 /nfs/dbraw/zinc/01/65/98/429016598.db2.gz FMLSJBWHMWBAEL-SJLPKXTDSA-N 2 0 303.450 2.903 20 0 DFADRP CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)[C@H](C)[C@@H]([NH3+])c1ccccc1 ZINC000423797561 429023538 /nfs/dbraw/zinc/02/35/38/429023538.db2.gz HXVLVSPADVOSPO-KBAYOESNSA-N 2 0 317.477 2.559 20 0 DFADRP CC(C)OCCOC1CC[NH+](CC[C@H]2CCCC[N@@H+]2C)CC1 ZINC000451951923 429025485 /nfs/dbraw/zinc/02/54/85/429025485.db2.gz DWEBVDPUEWAFHV-QGZVFWFLSA-N 2 0 312.498 2.767 20 0 DFADRP C[NH+](C)[C@@H](CC(=O)NCC[N@H+](C)C1CCCC1)c1ccccc1 ZINC000433343967 429026600 /nfs/dbraw/zinc/02/66/00/429026600.db2.gz PSGPKOUSMSGTED-SFHVURJKSA-N 2 0 317.477 2.670 20 0 DFADRP CC[NH+]1CCN(CC(C)(C)[NH2+]CCc2ccc(Cl)cc2)CC1 ZINC000451988818 429032490 /nfs/dbraw/zinc/03/24/90/429032490.db2.gz PVRCKQJVHZQCIE-UHFFFAOYSA-N 2 0 323.912 2.888 20 0 DFADRP C[NH+](C)CCOc1ccc(C[NH2+][C@H]2CCCc3n[nH]cc32)cc1 ZINC000375795287 428975189 /nfs/dbraw/zinc/97/51/89/428975189.db2.gz WVUSEENKWYLZHJ-KRWDZBQOSA-N 2 0 314.433 2.517 20 0 DFADRP Cc1ccc([C@H]([NH2+]C[C@@H](C)N2CC[NH+](C)CC2)C2CCC2)o1 ZINC000349448017 428988855 /nfs/dbraw/zinc/98/88/55/428988855.db2.gz DFDGKGVUINTMLD-RDTXWAMCSA-N 2 0 305.466 2.655 20 0 DFADRP COC(=O)c1csc([C@@H](C)[NH2+]C[C@@H]2CCCn3ccnc32)c1 ZINC000375841366 428993386 /nfs/dbraw/zinc/99/33/86/428993386.db2.gz RQNOOCJTELOXSY-NEPJUHHUSA-N 2 0 319.430 2.959 20 0 DFADRP CC[NH+](CC)CCN(Cc1ccccc1)C(=O)[C@H](C[NH3+])C(C)C ZINC000433147097 429001165 /nfs/dbraw/zinc/00/11/65/429001165.db2.gz MYTZAFGWZACJGA-GOSISDBHSA-N 2 0 319.493 2.588 20 0 DFADRP [NH3+]C1CC[NH+](CCCC(=O)N(CC2CC2)c2ccccc2)CC1 ZINC000433153897 429001612 /nfs/dbraw/zinc/00/16/12/429001612.db2.gz REDIJNGMKRAAET-UHFFFAOYSA-N 2 0 315.461 2.633 20 0 DFADRP CC(C)c1ccc(CNC(=O)CCC[NH+]2CCC([NH3+])CC2)cc1 ZINC000433164551 429003177 /nfs/dbraw/zinc/00/31/77/429003177.db2.gz RPBIGANRKGJDBX-UHFFFAOYSA-N 2 0 317.477 2.630 20 0 DFADRP CC(C)[C@@H](C[NH3+])C(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC000433174284 429003969 /nfs/dbraw/zinc/00/39/69/429003969.db2.gz MQECYGZGDCBNMW-GOSISDBHSA-N 2 0 317.477 2.884 20 0 DFADRP CCC(CC)(C[NH3+])C(=O)N1CCC[C@@H]([N@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC000423724675 429005239 /nfs/dbraw/zinc/00/52/39/429005239.db2.gz HMDWGHQLMUYAFY-OWCLPIDISA-N 2 0 309.498 2.615 20 0 DFADRP C[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCCN(C(=O)C2([NH3+])CCCCC2)C1 ZINC000423726741 429005343 /nfs/dbraw/zinc/00/53/43/429005343.db2.gz KGGFXYQYEVIRMW-OWCLPIDISA-N 2 0 307.482 2.512 20 0 DFADRP C[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCCN(C(=O)[C@H]2CCCC[C@@]2(C)[NH3+])C1 ZINC000423720554 429005804 /nfs/dbraw/zinc/00/58/04/429005804.db2.gz ANSAIECZPMANHX-FSNPWBFUSA-N 2 0 321.509 2.758 20 0 DFADRP CC1CC[NH+](CCCC[NH2+][C@@H]2CC[N@H+](C)[C@@H]3CCC[C@@H]32)CC1 ZINC000375892126 429008191 /nfs/dbraw/zinc/00/81/91/429008191.db2.gz XVIGEDBYFQCOAD-GUDVDZBRSA-N 3 0 307.526 2.961 20 0 DFADRP C[C@H]([NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccccc1-n1ccnn1 ZINC000375890356 429008432 /nfs/dbraw/zinc/00/84/32/429008432.db2.gz SCPHKPRPIBJISS-JYJNAYRXSA-N 2 0 311.433 2.545 20 0 DFADRP CC[N@H+](C)[C@H](C(=O)NC1CCC([NH+](C)C)CC1)c1ccccc1 ZINC000421681647 429009725 /nfs/dbraw/zinc/00/97/25/429009725.db2.gz YOXSYEKONOWJAB-ABHNRTSZSA-N 2 0 317.477 2.668 20 0 DFADRP O=C(N[C@@H]1CC[N@@H+]2CCCC[C@H]12)[C@H]1CCCC[NH+]1C1CCCC1 ZINC000433231949 429013448 /nfs/dbraw/zinc/01/34/48/429013448.db2.gz ZJSOEZXPMWTYQU-KZNAEPCWSA-N 2 0 319.493 2.527 20 0 DFADRP CCC[C@H](C)[N@H+](C)CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000354828423 429014350 /nfs/dbraw/zinc/01/43/50/429014350.db2.gz BIPPOCJIOLWEGV-RDJZCZTQSA-N 2 0 305.466 2.526 20 0 DFADRP CC(C)[C@H]([NH3+])CCN(C)C(=O)CC[C@@H]([NH3+])CC1CCCCC1 ZINC000424077108 429089148 /nfs/dbraw/zinc/08/91/48/429089148.db2.gz NOFKGJOGILBZNB-IAGOWNOFSA-N 2 0 311.514 2.896 20 0 DFADRP CC[C@H]([NH3+])CN[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H]2CCC[C@H]21 ZINC000423466281 429093255 /nfs/dbraw/zinc/09/32/55/429093255.db2.gz NHZWTDWIAGHJHK-INDMIFKZSA-N 2 0 301.478 2.757 20 0 DFADRP COc1cc(NC(C)=O)ccc1[C@H](C)[NH2+]C[C@H]1CCC[C@@H]([NH3+])C1 ZINC000423477297 429094666 /nfs/dbraw/zinc/09/46/66/429094666.db2.gz SIGHHSMQICDMCO-AEGPPILISA-N 2 0 319.449 2.822 20 0 DFADRP COC1([C@H](C)[NH2+]CCC[N@@H+]2CCCO[C@@H](C)C2)CCCCC1 ZINC000421859320 429040505 /nfs/dbraw/zinc/04/05/05/429040505.db2.gz SKAXTVVTWXWYEK-IRXDYDNUSA-N 2 0 312.498 2.815 20 0 DFADRP COC(=O)Nc1cccc(C[NH2+][C@@H]2CC[N@H+](C)[C@H]3CCC[C@@H]32)c1 ZINC000376063160 429050900 /nfs/dbraw/zinc/05/09/00/429050900.db2.gz XZLJNIBBYZUUKM-ZACQAIPSSA-N 2 0 317.433 2.827 20 0 DFADRP CO[C@@H]1CCCC[C@H]1[NH2+][C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422969987 429052971 /nfs/dbraw/zinc/05/29/71/429052971.db2.gz VOILQYITEMMRJQ-JFRXWTBNSA-N 2 0 316.445 2.790 20 0 DFADRP C[N@@H+]1CC[C@H](N[C@@H]2CCCC[C@@H]2C[NH3+])C[C@@H]1c1ccccc1 ZINC000423276839 429056044 /nfs/dbraw/zinc/05/60/44/429056044.db2.gz NKAKYCXZVMLDLW-FCGDIQPGSA-N 2 0 301.478 2.929 20 0 DFADRP CC(C)(CN1CCCC1)[NH2+]C[C@@H](O)Cc1cccc(Cl)c1 ZINC000452096557 429056562 /nfs/dbraw/zinc/05/65/62/429056562.db2.gz OELJMCSBVIXSOY-INIZCTEOSA-N 2 0 310.869 2.707 20 0 DFADRP Cc1nc(C[NH3+])ccc1[C@H](C)NCC[NH2+]C1CCCCCC1 ZINC000423286478 429057291 /nfs/dbraw/zinc/05/72/91/429057291.db2.gz HPGUMAUIDNXPKB-AWEZNQCLSA-N 2 0 304.482 2.812 20 0 DFADRP CC(C)([NH3+])CN[C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000423289193 429058643 /nfs/dbraw/zinc/05/86/43/429058643.db2.gz WLCGUOYDNOWAME-FGTMMUONSA-N 3 0 301.478 2.614 20 0 DFADRP C[C@@H]([NH3+])c1ccc(C(=O)NCCC[N@@H+]2CCCC[C@H]2C)cc1 ZINC000423311469 429060173 /nfs/dbraw/zinc/06/01/73/429060173.db2.gz TYPGOKBXRMQDNK-HUUCEWRRSA-N 2 0 303.450 2.701 20 0 DFADRP CC[NH+](CC)CCC[C@H](C)NC(=O)c1ccc([C@@H](C)[NH3+])cc1 ZINC000423297963 429060648 /nfs/dbraw/zinc/06/06/48/429060648.db2.gz MODDDOPHBNJNJE-LSDHHAIUSA-N 2 0 305.466 2.947 20 0 DFADRP Clc1cc2c(c(Cl)c1)CC[C@@H]2NC[C@@H]1C[NH2+]CCCO1 ZINC000423486714 429096983 /nfs/dbraw/zinc/09/69/83/429096983.db2.gz BYLIMUXTMNSHGK-NHYWBVRUSA-N 2 0 315.244 2.949 20 0 DFADRP C[C@H](C[NH3+])C[NH2+][C@H](C)c1ccc(I)cc1 ZINC000423303375 429060877 /nfs/dbraw/zinc/06/08/77/429060877.db2.gz WYVZRXWAIWSNEZ-NXEZZACHSA-N 2 0 318.202 2.537 20 0 DFADRP [NH3+][C@H](CN[C@@H]1CC[N@H+](Cc2ccccc2)[C@H]2CCC[C@H]21)C1CC1 ZINC000423315857 429063675 /nfs/dbraw/zinc/06/36/75/429063675.db2.gz JDPAHFLMIHQEAV-NMLBUPMWSA-N 2 0 313.489 2.757 20 0 DFADRP C[C@@H]1CCCC[N@@H+]1CCNC(=O)C(C)(C)[C@@H]([NH3+])c1ccccc1 ZINC000423318589 429063731 /nfs/dbraw/zinc/06/37/31/429063731.db2.gz CNUQTLQNVXWLAG-WBVHZDCISA-N 2 0 317.477 2.703 20 0 DFADRP C[C@@H]1CCC[N@H+](CCCCNC(=O)[C@@H]([NH3+])CC2CCCCC2)C1 ZINC000423323517 429064354 /nfs/dbraw/zinc/06/43/54/429064354.db2.gz HZMRQHGFJTWWEU-AEFFLSMTSA-N 2 0 323.525 2.912 20 0 DFADRP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC1(C)CC[NH2+]CC1 ZINC000423323548 429065975 /nfs/dbraw/zinc/06/59/75/429065975.db2.gz ICFOXDROZKKVKV-HKUYNNGSSA-N 3 0 315.505 2.876 20 0 DFADRP COC(=O)CCC[C@H]1CCC[C@@H]([NH2+]CC2(C)CC[NH2+]CC2)C1 ZINC000423337907 429068137 /nfs/dbraw/zinc/06/81/37/429068137.db2.gz UJUGAILYJKPWOA-HZPDHXFCSA-N 2 0 310.482 2.868 20 0 DFADRP Fc1ccc2c(c1Br)CC[C@H]2[NH2+]C[C@@H]1CC[NH2+]C1 ZINC000423349255 429069399 /nfs/dbraw/zinc/06/93/99/429069399.db2.gz VFTKVDZSDINVFL-NOZJJQNGSA-N 2 0 313.214 2.775 20 0 DFADRP CCC[NH+](CCC)CCCC(=O)N1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000423977560 429069383 /nfs/dbraw/zinc/06/93/83/429069383.db2.gz PWPSECDOCNEEQT-ZWKOTPCHSA-N 2 0 323.525 2.879 20 0 DFADRP CC[N@H+](C)Cc1cccc(CNC(=O)[C@@H]2[NH2+]CCCC2(C)C)c1 ZINC000423356674 429071947 /nfs/dbraw/zinc/07/19/47/429071947.db2.gz RCIQQRMCKMYACB-KRWDZBQOSA-N 2 0 317.477 2.533 20 0 DFADRP C[C@@H]([NH2+]Cc1ccc2c(c1)C[NH2+]C2)c1ccc2c(c1)OCCO2 ZINC000423353549 429071958 /nfs/dbraw/zinc/07/19/58/429071958.db2.gz DOGJWISPIYNWME-CYBMUJFWSA-N 2 0 310.397 2.912 20 0 DFADRP CC(C)[C@H](C(=O)N1CCC[C@H](C[N@@H+]2CCCC[C@@H]2C)C1)[C@@H](C)[NH3+] ZINC000423359877 429072012 /nfs/dbraw/zinc/07/20/12/429072012.db2.gz PUHYRJOPVYTESO-MLHJIOFPSA-N 2 0 323.525 2.719 20 0 DFADRP CC(C)[C@H](C(=O)NCc1cccc(C[N@H+](C)C(C)C)c1)[C@@H](C)[NH3+] ZINC000423356372 429072469 /nfs/dbraw/zinc/07/24/69/429072469.db2.gz GPVDULMDGMCADP-QAPCUYQASA-N 2 0 319.493 2.762 20 0 DFADRP CC(C)[C@H]([NH2+][C@@H]1CC[NH2+]C[C@H]1C)c1ccc2[nH]c(=O)oc2c1 ZINC000423361628 429072528 /nfs/dbraw/zinc/07/25/28/429072528.db2.gz AKCIEMOIJVTGMI-KFNAQCHYSA-N 2 0 303.406 2.818 20 0 DFADRP CC(C)[C@H](C(=O)N[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1)[C@@H](C)[NH3+] ZINC000423357507 429072551 /nfs/dbraw/zinc/07/25/51/429072551.db2.gz IEOKXZRUSDOPHO-ATLSCFEFSA-N 2 0 317.477 2.558 20 0 DFADRP CCC[NH+]1CCC(CNC(=O)c2ccc([C@@H](C)[NH3+])cc2)CC1 ZINC000423354598 429072799 /nfs/dbraw/zinc/07/27/99/429072799.db2.gz NPLJSFUTIXXJLI-CQSZACIVSA-N 2 0 303.450 2.558 20 0 DFADRP CC(C)[C@@H](C(=O)NCc1cccc(C[N@H+](C)C(C)C)c1)[C@@H](C)[NH3+] ZINC000423356370 429072864 /nfs/dbraw/zinc/07/28/64/429072864.db2.gz GPVDULMDGMCADP-CRAIPNDOSA-N 2 0 319.493 2.762 20 0 DFADRP COc1cc(NC(C)=O)ccc1[C@H](C)[NH2+][C@@H]1CCC[C@@H]([NH3+])C1 ZINC000423367478 429074395 /nfs/dbraw/zinc/07/43/95/429074395.db2.gz COKZIWQYWFCTIY-IACUBPJLSA-N 2 0 305.422 2.574 20 0 DFADRP C[C@H](CC(=O)N1CCCCCC1)[NH2+]Cc1ccc2c(c1)C[NH2+]C2 ZINC000423367545 429074934 /nfs/dbraw/zinc/07/49/34/429074934.db2.gz CQSZGUPQKQTHCD-OAHLLOKOSA-N 2 0 315.461 2.561 20 0 DFADRP CC(C)[C@H](C(=O)NCC(C)(C)[NH2+][C@@H](C)c1ccccc1)[C@@H](C)[NH3+] ZINC000423367831 429075332 /nfs/dbraw/zinc/07/53/32/429075332.db2.gz AQZYZWDKJNGUTO-VYDXJSESSA-N 2 0 319.493 2.851 20 0 DFADRP CC[C@@H]([NH2+]C[C@@H](N1CC[NH2+]CC1)C(F)(F)F)C1CCCCC1 ZINC000423381028 429077423 /nfs/dbraw/zinc/07/74/23/429077423.db2.gz HOWUUSVRVYFWNG-HUUCEWRRSA-N 2 0 321.431 2.771 20 0 DFADRP CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)C(C)(C)[C@@H]([NH3+])c1ccccc1 ZINC000423383175 429077745 /nfs/dbraw/zinc/07/77/45/429077745.db2.gz GXPXLNBIJXPRQF-SJORKVTESA-N 2 0 317.477 2.655 20 0 DFADRP CN(C(=O)CC[C@@H]([NH3+])CC1CCCCC1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000424141373 429097894 /nfs/dbraw/zinc/09/78/94/429097894.db2.gz CKNXYJYJXRAVNG-SJLPKXTDSA-N 2 0 321.509 2.759 20 0 DFADRP C[C@@H]([NH2+]C(C)(C)CNC(=O)[C@@H]1C[C@H](C)CC[NH2+]1)c1ccccc1 ZINC000423387659 429079109 /nfs/dbraw/zinc/07/91/09/429079109.db2.gz SUECIFKZIJRRDE-INMHGKMJSA-N 2 0 317.477 2.620 20 0 DFADRP COCC1(C[NH2+][C@@H](C)[C@@H](C)c2ccc(OC)cc2)CC[NH2+]CC1 ZINC000423397320 429079263 /nfs/dbraw/zinc/07/92/63/429079263.db2.gz BVABUPSIDQBGFU-CVEARBPZSA-N 2 0 320.477 2.793 20 0 DFADRP COc1ccc([C@H](C)[C@H](C)[NH2+][C@H]2CC[NH2+][C@@H](C)C2)cc1OC ZINC000423389976 429080275 /nfs/dbraw/zinc/08/02/75/429080275.db2.gz VLVPFXBSBDRZNA-FQLMCAECSA-N 2 0 306.450 2.926 20 0 DFADRP C[C@@H]1C[NH2+]CC[C@@H]1[NH2+][C@@H]1C[C@H](OCc2ccccc2)C1(C)C ZINC000423403417 429081348 /nfs/dbraw/zinc/08/13/48/429081348.db2.gz SEYSXCDFRRCQLB-SPUZQDLCSA-N 2 0 302.462 2.958 20 0 DFADRP CC1(C)C[NH2+][C@H]1C1CCN(C(=O)[C@H]([NH3+])CC2CCCCC2)CC1 ZINC000424038120 429082098 /nfs/dbraw/zinc/08/20/98/429082098.db2.gz HXCANGASPZXSAC-SJORKVTESA-N 2 0 321.509 2.521 20 0 DFADRP CCc1nc(C)c([C@H](C)[NH2+]CC2(COC)CC[NH2+]CC2)s1 ZINC000423412146 429083337 /nfs/dbraw/zinc/08/33/37/429083337.db2.gz WHKIFYWCKZCITE-LBPRGKRZSA-N 2 0 311.495 2.681 20 0 DFADRP O[C@@H]1C[NH2+]C[C@H]1C[NH2+][C@@H](c1ccc(Cl)cc1)C1CCCC1 ZINC000423410370 429083496 /nfs/dbraw/zinc/08/34/96/429083496.db2.gz ACLYKCLUUUECJF-USXIJHARSA-N 2 0 308.853 2.741 20 0 DFADRP C[C@H]([NH2+]C[C@@H]1C[NH2+]C[C@@H]1O)c1ccc(C2CCCCC2)cc1 ZINC000423413094 429083913 /nfs/dbraw/zinc/08/39/13/429083913.db2.gz YBMIEAZRHDCKSB-JVPBZIDWSA-N 2 0 302.462 2.965 20 0 DFADRP COC[C@]1(C[NH2+][C@@H]2CCC[C@H](c3ncccc3C)C2)CCC[NH2+]1 ZINC000423414450 429084020 /nfs/dbraw/zinc/08/40/20/429084020.db2.gz MYABDWVPXWVNAX-YQVWRLOYSA-N 2 0 317.477 2.774 20 0 DFADRP [NH3+]C[C@H]1CC[C@H](C[NH2+][C@H](c2ncc[nH]2)c2ccc(F)cc2)CC1 ZINC000423418590 429084826 /nfs/dbraw/zinc/08/48/26/429084826.db2.gz HPTICIANWASFLK-ZQIUZPCESA-N 2 0 316.424 2.993 20 0 DFADRP Fc1cc(F)cc(C2CC([NH2+]CCCC[NH+]3CCOCC3)C2)c1 ZINC000377619599 274909666 /nfs/dbraw/zinc/90/96/66/274909666.db2.gz VFROCIJWWJTRJK-UHFFFAOYSA-N 2 0 324.415 2.913 20 0 DFADRP COC[C@]1(C[NH2+][C@@H](Cc2cccc(C)c2)C2CC2)CCC[NH2+]1 ZINC000423421195 429086140 /nfs/dbraw/zinc/08/61/40/429086140.db2.gz JXGFNPUCICKESJ-RBUKOAKNSA-N 2 0 302.462 2.674 20 0 DFADRP [NH3+]C[C@@H]1CCCC[C@@H]1NC(=O)CC[C@@H]([NH3+])CC1CCCCC1 ZINC000424073342 429086559 /nfs/dbraw/zinc/08/65/59/429086559.db2.gz FDQISUHWWDQSJI-BBWFWOEESA-N 2 0 309.498 2.698 20 0 DFADRP CC[N@H+](C)C[C@H]1CCN(C(=O)C(C)(C)[C@@H]([NH3+])c2ccccc2)C1 ZINC000423427160 429086893 /nfs/dbraw/zinc/08/68/93/429086893.db2.gz IICXTVQAGOCLFC-WBVHZDCISA-N 2 0 317.477 2.513 20 0 DFADRP c1ccc(C[C@H]([NH2+][C@@H]2C[C@H]2C2CC[NH2+]CC2)c2cccnc2)nc1 ZINC000423436877 429087311 /nfs/dbraw/zinc/08/73/11/429087311.db2.gz LYSQSUVYRJZBDZ-SLFFLAALSA-N 2 0 322.456 2.738 20 0 DFADRP CCc1cccc(CC)c1NC(=O)CN(C)[C@H]1CCC[NH2+]CC1 ZINC000435618184 429151958 /nfs/dbraw/zinc/15/19/58/429151958.db2.gz RWYLTVZNEHMDJE-KRWDZBQOSA-N 2 0 317.477 2.824 20 0 DFADRP COc1cc2[nH+]ccc(N[C@@H]3CC[N@H+](C)[C@@H](C)C3)c2cc1OC ZINC000413155894 429152060 /nfs/dbraw/zinc/15/20/60/429152060.db2.gz DEBISQVIXFQRIF-QWHCGFSZSA-N 2 0 315.417 2.569 20 0 DFADRP CC[N@H+](CCC(=O)Nc1ccccc1F)[C@@H]1CCC[NH2+]CC1 ZINC000435614243 429153535 /nfs/dbraw/zinc/15/35/35/429153535.db2.gz LWQNDDWZJQBJJN-CQSZACIVSA-N 2 0 307.413 2.618 20 0 DFADRP C[C@@H]1C[C@@H](N[C@H](C[NH3+])C2CCCC2)C[N@@H+]1Cc1ccccc1 ZINC000423497081 429098049 /nfs/dbraw/zinc/09/80/49/429098049.db2.gz FYXQYIUIFQDRQE-ATZDWAIDSA-N 2 0 301.478 2.757 20 0 DFADRP C[C@H]([NH2+]C[C@@H]1C[NH2+]CCCO1)C1(c2ccccc2)CCCC1 ZINC000423494904 429098155 /nfs/dbraw/zinc/09/81/55/429098155.db2.gz SQPTWOOPTALBOT-WMZOPIPTSA-N 2 0 302.462 2.855 20 0 DFADRP C[C@H]([NH2+]C[C@H]1C[NH2+]CCCO1)[C@H](C)c1nc2ccccc2s1 ZINC000423492596 429098953 /nfs/dbraw/zinc/09/89/53/429098953.db2.gz NUSYHFBMOBUMLF-MELADBBJSA-N 2 0 319.474 2.756 20 0 DFADRP C[C@H]([NH2+][C@@H]1CC[C@H](C[NH3+])C1)c1ncc(Br)s1 ZINC000423492246 429099422 /nfs/dbraw/zinc/09/94/22/429099422.db2.gz MIHLKXXPKGXSJW-XHNCKOQMSA-N 2 0 304.257 2.684 20 0 DFADRP Clc1ccccc1C[C@H]([NH2+]C[C@@H]1C[NH2+]CCCO1)C1CC1 ZINC000423496729 429099477 /nfs/dbraw/zinc/09/94/77/429099477.db2.gz XKFJDVBSEPISLR-RDJZCZTQSA-N 2 0 308.853 2.629 20 0 DFADRP C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1[NH2+][C@H]1CC[C@H](C[NH3+])C1 ZINC000423493440 429099793 /nfs/dbraw/zinc/09/97/93/429099793.db2.gz QBLOHOFQLUIQNG-BVBHFADKSA-N 2 0 301.478 2.614 20 0 DFADRP CC(C)OCCCC[NH2+][C@@H]1CC[N@H+](C[C@@H]2CCCO2)C[C@@H]1C ZINC000376361139 429100125 /nfs/dbraw/zinc/10/01/25/429100125.db2.gz RODMNRBDSBPCGU-OKZBNKHCSA-N 2 0 312.498 2.671 20 0 DFADRP C1CC(C([NH2+]C2CCC([NH+]3CCNCC3)CC2)C2CCC2)C1 ZINC000423500380 429100894 /nfs/dbraw/zinc/10/08/94/429100894.db2.gz ACYIBPVFXHABDT-UHFFFAOYSA-N 2 0 305.510 2.761 20 0 DFADRP Fc1ccc2c(c1)CC[C@H]2[NH2+]C1CCC([NH+]2CCNCC2)CC1 ZINC000423505945 429101494 /nfs/dbraw/zinc/10/14/94/429101494.db2.gz IFINXBBEBQLZSD-FAFZWHIHSA-N 2 0 317.452 2.619 20 0 DFADRP CCc1ccccc1[C@@H](N)C[NH2+][C@H](C)c1ccc(C[NH3+])nc1C ZINC000423501718 429101797 /nfs/dbraw/zinc/10/17/97/429101797.db2.gz LMYUXNQIYHOFTK-YJYMSZOUSA-N 2 0 312.461 2.762 20 0 DFADRP CCN(CCC[NH+](C)C)C(=O)CC[C@H]([NH3+])CC1CCCCC1 ZINC000424163656 429102383 /nfs/dbraw/zinc/10/23/83/429102383.db2.gz AMPZEQDVTLLCGJ-KRWDZBQOSA-N 2 0 311.514 2.865 20 0 DFADRP CCC[C@H]([NH2+]C1CCC(N2CC[NH2+]CC2)CC1)c1ccccn1 ZINC000423511134 429103681 /nfs/dbraw/zinc/10/36/81/429103681.db2.gz NJGQLHZAVCPRRU-TVPLGVNVSA-N 2 0 316.493 2.729 20 0 DFADRP C[C@@H](c1cnn(Cc2ccccc2)c1)[N@@H+]1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000423509909 429104023 /nfs/dbraw/zinc/10/40/23/429104023.db2.gz MZNZNYPMVVVALJ-JTDSTZFVSA-N 2 0 312.461 2.909 20 0 DFADRP c1cncc(-c2c[nH+]ccc2NCC2CC[NH+](C3CC3)CC2)c1 ZINC000376392596 429104267 /nfs/dbraw/zinc/10/42/67/429104267.db2.gz VPBNHFGMMBYEIS-UHFFFAOYSA-N 2 0 308.429 2.852 20 0 DFADRP CCc1ccccc1[C@H]([NH3+])CN[C@@H]1CC[N@H+](C)[C@@H]2CCC[C@@H]21 ZINC000423508869 429104346 /nfs/dbraw/zinc/10/43/46/429104346.db2.gz QZJIAEYKSYORBB-NCXUSEDFSA-N 2 0 301.478 2.711 20 0 DFADRP COc1cccc([C@@H](C)[NH2+]C2CCC([NH+]3CCNCC3)CC2)c1 ZINC000423523546 429107780 /nfs/dbraw/zinc/10/77/80/429107780.db2.gz WCECEGKYAVADOI-FAEJEUNOSA-N 2 0 317.477 2.562 20 0 DFADRP [NH3+]C[C@H](NC(=O)CC[C@H]([NH3+])CC1CCCCC1)C1CCCC1 ZINC000424204249 429110312 /nfs/dbraw/zinc/11/03/12/429110312.db2.gz VBJWALCGZGIMMB-IRXDYDNUSA-N 2 0 309.498 2.698 20 0 DFADRP Cc1cc(C[NH3+])cc(NC(=O)C2C[C@H]3CCC[C@@H](C2)C3[NH3+])c1 ZINC000424238120 429113482 /nfs/dbraw/zinc/11/34/82/429113482.db2.gz KQPIKOQJAXUPDU-KWOWKCNFSA-N 2 0 301.434 2.546 20 0 DFADRP CO[C@H]1C[C@H]2C[C@H]([NH2+]CCN(C)Cc3ccccc3)C[C@H]2C1 ZINC000424256542 429115422 /nfs/dbraw/zinc/11/54/22/429115422.db2.gz ANLRCAXEZHJRPA-MKQMEDFFSA-N 2 0 302.462 2.912 20 0 DFADRP COc1ccc([C@H](C)[NH2+]CCOCC[NH+](C)C)c(Cl)c1 ZINC000424277492 429118395 /nfs/dbraw/zinc/11/83/95/429118395.db2.gz GOBYURGCRLLKGY-LBPRGKRZSA-N 2 0 300.830 2.577 20 0 DFADRP Cc1cc(C)cc(NC(=O)C[N@H+]2CC3(C[C@H]2C)CC[NH2+]CC3)c1 ZINC000424282767 429119573 /nfs/dbraw/zinc/11/95/73/429119573.db2.gz AIFBBAMPHCDMLK-MRXNPFEDSA-N 2 0 315.461 2.706 20 0 DFADRP C[C@H]1CC2(C[N@@H+]1CCC(=O)NCC1CCCCC1)CC[NH2+]CC2 ZINC000424283820 429119591 /nfs/dbraw/zinc/11/95/91/429119591.db2.gz CGZXUGZNLCZSLT-INIZCTEOSA-N 2 0 321.509 2.537 20 0 DFADRP Cc1ccc(NC(=O)C[N@H+]2CC3(C[C@@H]2C)CC[NH2+]CC3)c(C)c1 ZINC000424284186 429119695 /nfs/dbraw/zinc/11/96/95/429119695.db2.gz CZNZSAJTPPKMMI-INIZCTEOSA-N 2 0 315.461 2.706 20 0 DFADRP C[C@@H]1CC2(C[N@@H+]1CCC(=O)NCC1CCCCC1)CC[NH2+]CC2 ZINC000424283821 429120067 /nfs/dbraw/zinc/12/00/67/429120067.db2.gz CGZXUGZNLCZSLT-MRXNPFEDSA-N 2 0 321.509 2.537 20 0 DFADRP C[C@H](N[C@H]1CCc2nccn2C1)c1nc(Cc2ccccc2)no1 ZINC000376493269 429122238 /nfs/dbraw/zinc/12/22/38/429122238.db2.gz VLDAODDREHBZQY-ZFWWWQNUSA-N 2 0 323.400 2.523 20 0 DFADRP CSc1ccccc1NC(=O)CC[NH2+][C@@H]1CCCC[C@H]1[NH3+] ZINC000424333187 429128061 /nfs/dbraw/zinc/12/80/61/429128061.db2.gz LTJPEPBYOARWBX-CHWSQXEVSA-N 2 0 307.463 2.597 20 0 DFADRP C[C@@H](c1nc(C2([NH3+])CCCCC2)no1)[C@H]([NH3+])c1ccccc1 ZINC000424336903 429128350 /nfs/dbraw/zinc/12/83/50/429128350.db2.gz JWUOSFLWBFNLRS-OCCSQVGLSA-N 2 0 300.406 2.991 20 0 DFADRP CC(=O)Nc1ccccc1C[N@H+]1CC2(C[C@@H]1C)CC[NH2+]CC2 ZINC000424368972 429132215 /nfs/dbraw/zinc/13/22/15/429132215.db2.gz AZIMQBQJACVUMG-AWEZNQCLSA-N 2 0 301.434 2.609 20 0 DFADRP CC(C)N(C)c1ccc(C[N@@H+]2CC3(C[C@H]2C)CC[NH2+]CC3)cn1 ZINC000424368510 429132574 /nfs/dbraw/zinc/13/25/74/429132574.db2.gz ADEVJSJCGCTHLV-MRXNPFEDSA-N 2 0 316.493 2.890 20 0 DFADRP CN1CC[NH+](CC2(C)CC[NH+](Cc3cccs3)CC2)CC1 ZINC000363884048 429133003 /nfs/dbraw/zinc/13/30/03/429133003.db2.gz FGWWTRDCKSZACR-UHFFFAOYSA-N 2 0 307.507 2.598 20 0 DFADRP CC[N@H+](Cc1cnc2c(cnn2C(C)C)c1)[C@@H]1CCC[NH2+]CC1 ZINC000435370176 429133092 /nfs/dbraw/zinc/13/30/92/429133092.db2.gz HMBBYVFIOHYYBZ-QGZVFWFLSA-N 2 0 315.465 2.976 20 0 DFADRP C[C@H]1CC2(C[N@@H+]1Cc1cnc3ccc(Cl)cn13)CC[NH2+]CC2 ZINC000424381176 429134383 /nfs/dbraw/zinc/13/43/83/429134383.db2.gz QPJJXRYQUWZEMH-ZDUSSCGKSA-N 2 0 318.852 2.952 20 0 DFADRP CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)CC[C@H]2CCC[NH2+]2)C1 ZINC000494642834 429134983 /nfs/dbraw/zinc/13/49/83/429134983.db2.gz KYSXHGFRFUOMES-JKSUJKDBSA-N 2 0 309.498 2.535 20 0 DFADRP CC[N@H+](Cc1ccc(N2CCCC2)nc1)[C@H]1CCC[NH2+]CC1 ZINC000435394662 429139643 /nfs/dbraw/zinc/13/96/43/429139643.db2.gz OMULEIKWTJWDEI-KRWDZBQOSA-N 2 0 302.466 2.646 20 0 DFADRP c1csc(C[N@@H+](C[C@@H]2CCCOC2)[C@H]2CC23CC[NH2+]CC3)n1 ZINC000435425277 429139964 /nfs/dbraw/zinc/13/99/64/429139964.db2.gz CEIYIUOJNGUPBS-GJZGRUSLSA-N 2 0 321.490 2.514 20 0 DFADRP Cc1cc(C[NH3+])cc(NC(=O)NC2CC[NH+](CC(C)C)CC2)c1 ZINC000424433819 429141122 /nfs/dbraw/zinc/14/11/22/429141122.db2.gz FJENHIJSHQITFB-UHFFFAOYSA-N 2 0 318.465 2.696 20 0 DFADRP CC(C)n1ncc2cc(C[N@H+](C)[C@H]3CCC[NH2+]CC3)cnc21 ZINC000435445248 429141893 /nfs/dbraw/zinc/14/18/93/429141893.db2.gz DLUGCUFCYINZBT-INIZCTEOSA-N 2 0 301.438 2.586 20 0 DFADRP c1csc(C[N@@H+](CC2CCOCC2)[C@H]2CC23CC[NH2+]CC3)n1 ZINC000435437367 429142041 /nfs/dbraw/zinc/14/20/41/429142041.db2.gz JLGXLSCZLQHKLE-HNNXBMFYSA-N 2 0 321.490 2.514 20 0 DFADRP CC[N@@H+]1CC[C@@H](N(C)C(=O)Nc2cc(C)cc(C[NH3+])c2)C[C@H]1C ZINC000424437817 429142261 /nfs/dbraw/zinc/14/22/61/429142261.db2.gz OTNDUMGYRFCZGW-RHSMWYFYSA-N 2 0 318.465 2.790 20 0 DFADRP c1cc(C[N@@H+](C[C@H]2CCOC2)[C@H]2CC23CC[NH2+]CC3)cs1 ZINC000435694978 429159754 /nfs/dbraw/zinc/15/97/54/429159754.db2.gz MUOJKHIPZUAOEU-ZBFHGGJFSA-N 2 0 306.475 2.729 20 0 DFADRP C[C@H]1C[N@H+](C)C[C@@H]1C(=O)Nc1ccc(Cl)c(CN(C)C)c1 ZINC000487527292 429159971 /nfs/dbraw/zinc/15/99/71/429159971.db2.gz ZVLZRWGYNIMVTM-FZMZJTMJSA-N 2 0 309.841 2.538 20 0 DFADRP c1ccc2c(c1)C[C@@H]([NH2+]C1CCN(c3cc[nH+]cc3)CC1)CO2 ZINC000294178570 275070318 /nfs/dbraw/zinc/07/03/18/275070318.db2.gz JXCNTBAEEPWIEQ-QGZVFWFLSA-N 2 0 309.413 2.644 20 0 DFADRP c1ccc2c(c1)[nH+]ccc2N1CC[NH+](CC[C@H]2CCCO2)CC1 ZINC000289467500 275071563 /nfs/dbraw/zinc/07/15/63/275071563.db2.gz YTSZNPDMXRBOPR-MRXNPFEDSA-N 2 0 311.429 2.926 20 0 DFADRP CC1(C)NC(=O)CC[C@H]1[NH2+]C[C@@H]1CCCN1CC1CCCCC1 ZINC000495069357 429176062 /nfs/dbraw/zinc/17/60/62/429176062.db2.gz SBLFXAIAHKQULK-DLBZAZTESA-N 2 0 321.509 2.678 20 0 DFADRP C[C@H](C[NH2+][C@@H]1CC[C@@H](c2ccccc2)C1)CN1CC[NH+](C)CC1 ZINC000436244769 429191917 /nfs/dbraw/zinc/19/19/17/429191917.db2.gz DKBWBZLSMXGKNJ-MISYRCLQSA-N 2 0 315.505 2.796 20 0 DFADRP CCC[N@@H+]1CC[C@H](C[NH2+]Cc2c[nH]nc2-c2ccsc2)C1 ZINC000436272459 429193782 /nfs/dbraw/zinc/19/37/82/429193782.db2.gz HLIXAMRWNJCKGD-CYBMUJFWSA-N 2 0 304.463 2.960 20 0 DFADRP COc1ccc(C[NH2+]Cc2cccc(C[NH+]3CCCC3)c2)cn1 ZINC000436280928 429194203 /nfs/dbraw/zinc/19/42/03/429194203.db2.gz MFEMGWDKOMZKSK-UHFFFAOYSA-N 2 0 311.429 2.976 20 0 DFADRP CC(C)[NH+]1CCC(O)(C[NH2+]Cc2cc3c(cccc3F)[nH]2)CC1 ZINC000436308588 429195238 /nfs/dbraw/zinc/19/52/38/429195238.db2.gz MSKXOIWEOZJTIS-UHFFFAOYSA-N 2 0 319.424 2.632 20 0 DFADRP C(N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)[C@H]1CCC[NH+]1C1CCCCC1 ZINC000373904151 275395514 /nfs/dbraw/zinc/39/55/14/275395514.db2.gz NNGQFUGPOITXJC-BHIYHBOVSA-N 2 0 305.510 3.000 20 0 DFADRP CCC[NH+](CCC)CCCC(=O)N1C[C@@H]2CCC[N@@H+]2C[C@H]1CC ZINC000489049289 429215540 /nfs/dbraw/zinc/21/55/40/429215540.db2.gz XYHZOZGETSEDEP-MSOLQXFVSA-N 2 0 323.525 2.974 20 0 DFADRP CCC[NH+]1CCC([NH2+][C@H]2c3ccccc3CC[C@@H]2CO)CC1 ZINC000364583316 429229622 /nfs/dbraw/zinc/22/96/22/429229622.db2.gz VCWVTXUPMSCBNA-VQIMIIECSA-N 2 0 302.462 2.746 20 0 DFADRP CC(C)COC(=O)N1CCC([NH2+]CCC[N@H+](C)C(C)C)CC1 ZINC000495615356 429231679 /nfs/dbraw/zinc/23/16/79/429231679.db2.gz ALMTVTACYJREDP-UHFFFAOYSA-N 2 0 313.486 2.563 20 0 DFADRP C[N@H+](CC1CC[NH+](C)CC1)CC(C)(C)NC(=O)OC(C)(C)C ZINC000495312272 429198630 /nfs/dbraw/zinc/19/86/30/429198630.db2.gz LWMVIEQSUAUOTP-UHFFFAOYSA-N 2 0 313.486 2.563 20 0 DFADRP CCCC[N@H+](C)CC1CC[NH+]([C@@H]2CCN(C(C)(C)C)C2=O)CC1 ZINC000425407116 429286849 /nfs/dbraw/zinc/28/68/49/429286849.db2.gz OAZUNOGDSFGBMC-QGZVFWFLSA-N 2 0 323.525 2.830 20 0 DFADRP Cc1ccc2nc(CN3C[C@@H]4C[N@@H+]5CCCC[C@H]5[C@@H]4C3)cn2c1 ZINC000364628430 429235722 /nfs/dbraw/zinc/23/57/22/429235722.db2.gz LIENXRQOLQIHDI-NXHRZFHOSA-N 2 0 310.445 2.559 20 0 DFADRP CCN(C)C(=O)OC[C@H]1CCCC[N@@H+]1CCCn1ccnc1C ZINC000495640450 429236370 /nfs/dbraw/zinc/23/63/70/429236370.db2.gz LTXRANPSAFIQKP-MRXNPFEDSA-N 2 0 322.453 2.524 20 0 DFADRP COc1cc(C[N@@H+]2CCC[C@H](CC[NH3+])C2)c(SC)cc1OC ZINC000442931678 429241209 /nfs/dbraw/zinc/24/12/09/429241209.db2.gz WKBFTPZSPWTYBR-CYBMUJFWSA-N 2 0 324.490 2.987 20 0 DFADRP CCN(C)CC[NH2+]C1CCC(CNC(=O)OC(C)(C)C)CC1 ZINC000495688651 429247849 /nfs/dbraw/zinc/24/78/49/429247849.db2.gz PNUSTDKFQYFEOR-UHFFFAOYSA-N 2 0 313.486 2.611 20 0 DFADRP CC(C)[N@H+](C)CCC[NH2+][C@H](C)C1CN(C(=O)OC(C)(C)C)C1 ZINC000495801428 429269693 /nfs/dbraw/zinc/26/96/93/429269693.db2.gz CQBVJYAXUKECOS-CQSZACIVSA-N 2 0 313.486 2.562 20 0 DFADRP C[NH+](C)[C@H]1CCc2cc(NC(=O)[C@H]3CCC[N@@H+]3C3CC3)ccc21 ZINC000456314423 429274053 /nfs/dbraw/zinc/27/40/53/429274053.db2.gz LSNRSQAWNVMHBH-ZWKOTPCHSA-N 2 0 313.445 2.801 20 0 DFADRP C[C@@H]1C[N@H+](CCC2CCCCC2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000491024682 429319631 /nfs/dbraw/zinc/31/96/31/429319631.db2.gz XWHQBXGAHFWTSQ-IEBWSBKVSA-N 2 0 307.526 2.915 20 0 DFADRP C[NH+](C)CCC[N@H+](C)C[C@@]1(C)CCN(C(=O)OC(C)(C)C)C1 ZINC000497272718 429322460 /nfs/dbraw/zinc/32/24/60/429322460.db2.gz TUFFGCHMKKFKJZ-QGZVFWFLSA-N 2 0 313.486 2.517 20 0 DFADRP COCC[N@H+](C)CCC[NH2+][C@H](C)Cc1coc2ccccc12 ZINC000449074040 429325391 /nfs/dbraw/zinc/32/53/91/429325391.db2.gz BDYFLOKEQWWYLW-OAHLLOKOSA-N 2 0 304.434 2.922 20 0 DFADRP C[C@H](Cc1coc2ccccc12)[NH2+]C[C@H](O)C[NH+]1CCCCC1 ZINC000449089955 429329719 /nfs/dbraw/zinc/32/97/19/429329719.db2.gz FOWRSGGUCJJABK-WBVHZDCISA-N 2 0 316.445 2.800 20 0 DFADRP Cc1ccccc1[C@H]([NH3+])C(=O)NC[C@]1([NH+](C)C)CCC[C@H](C)C1 ZINC000449096757 429331285 /nfs/dbraw/zinc/33/12/85/429331285.db2.gz AEVFFSXSNADVDI-FNHZYXHNSA-N 2 0 317.477 2.622 20 0 DFADRP CC[C@H]([NH2+]CCCN1CCN(c2cc[nH+]cc2)CC1)C1CCC1 ZINC000449109432 429334224 /nfs/dbraw/zinc/33/42/24/429334224.db2.gz WSDVLCBOXGUSQO-IBGZPJMESA-N 2 0 316.493 2.762 20 0 DFADRP CC[C@@H]([NH2+]Cc1cccnc1N1CC[NH+](C)CC1)C1CCC1 ZINC000449109018 429334250 /nfs/dbraw/zinc/33/42/50/429334250.db2.gz WUUBUGMUNCWYCV-QGZVFWFLSA-N 2 0 302.466 2.502 20 0 DFADRP Cc1nc(CN2CCC(C[NH2+][C@H]3CSC[C@@H]3C)CC2)oc1C ZINC000449120309 429335753 /nfs/dbraw/zinc/33/57/53/429335753.db2.gz CMJMNSVGDFYRKW-LRDDRELGSA-N 2 0 323.506 2.845 20 0 DFADRP CC[NH+](CC)[C@@H](CNC(=O)[C@H]([NH3+])c1ccccc1C)CC(C)C ZINC000449150099 429343703 /nfs/dbraw/zinc/34/37/03/429343703.db2.gz QCEMUKWLHPSUDN-SJLPKXTDSA-N 2 0 319.493 2.868 20 0 DFADRP CCNC(=O)OC[C@@H]1CCCC[N@@H+]1CCCc1ccc(C)nc1 ZINC000495947340 429297914 /nfs/dbraw/zinc/29/79/14/429297914.db2.gz POAYNRWQQFUVAW-KRWDZBQOSA-N 2 0 319.449 2.923 20 0 DFADRP C[C@@H]1C[N@H+](CCC[NH2+][C@@H]2CCCC[C@@H]2[C@H]2CCOC2)CCCO1 ZINC000365315344 429299142 /nfs/dbraw/zinc/29/91/42/429299142.db2.gz GJSIJJVDSBPDJN-FCGDIQPGSA-N 2 0 324.509 2.672 20 0 DFADRP CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)C[C@H]1CCCC[C@H]1[NH3+] ZINC000449338243 429392769 /nfs/dbraw/zinc/39/27/69/429392769.db2.gz UOUCQIZCJAHWFX-BRWVUGGUSA-N 2 0 309.498 2.665 20 0 DFADRP COC(=O)[C@@H]1CCCCC[C@@H]1[NH2+]C1CC[NH+](C(C)(C)C)CC1 ZINC000449415542 429408089 /nfs/dbraw/zinc/40/80/89/429408089.db2.gz ORTVUEXHGBUXHJ-CVEARBPZSA-N 2 0 310.482 2.961 20 0 DFADRP CCC[NH+](CCC)CCCC(=O)N(C)[C@H]1CC[N@@H+](C(C)C)C1 ZINC000457121306 429408204 /nfs/dbraw/zinc/40/82/04/429408204.db2.gz ODYVVJQSDZSSLM-KRWDZBQOSA-N 2 0 311.514 2.830 20 0 DFADRP c1c(C[NH2+]CCCOC2CCCCC2)onc1C1CC[NH2+]CC1 ZINC000425892905 429349038 /nfs/dbraw/zinc/34/90/38/429349038.db2.gz CDBPBPZVFQBPDK-UHFFFAOYSA-N 2 0 321.465 2.971 20 0 DFADRP CC(C)[C@H]1C[C@H](C[NH2+]Cc2cc(C3CC[NH2+]CC3)no2)CCO1 ZINC000425892866 429349349 /nfs/dbraw/zinc/34/93/49/429349349.db2.gz AVJDHKALXLPKKY-RDTXWAMCSA-N 2 0 321.465 2.682 20 0 DFADRP C[C@H]1CCCC[C@H]1OCC[NH2+]Cc1cc(C2CC[NH2+]CC2)no1 ZINC000425901540 429351539 /nfs/dbraw/zinc/35/15/39/429351539.db2.gz PZKWHWUOUZIJAA-KBXCAEBGSA-N 2 0 321.465 2.827 20 0 DFADRP c1c(C[NH2+]CC2(c3ccccc3)CC2)onc1C1CC[NH2+]CC1 ZINC000425899267 429351588 /nfs/dbraw/zinc/35/15/88/429351588.db2.gz KSDJHAXLEILLCV-UHFFFAOYSA-N 2 0 311.429 2.963 20 0 DFADRP C[C@H]1[C@H](CO)CC[N@@H+]1CC(C)(C)C[NH+](C)Cc1ccccc1 ZINC000425977485 429356626 /nfs/dbraw/zinc/35/66/26/429356626.db2.gz VITZGDRHLBVUHJ-WMZOPIPTSA-N 2 0 304.478 2.847 20 0 DFADRP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+][C@H]2CC[C@H](O)CC2)CC1 ZINC000449210866 429357452 /nfs/dbraw/zinc/35/74/52/429357452.db2.gz HKDTXKHYWXFRKB-YVWKXTFCSA-N 2 0 316.489 2.975 20 0 DFADRP Cc1cc(C[NH+]2CCC(C)(C[NH+]3CCN(C)CC3)CC2)cs1 ZINC000449234100 429363795 /nfs/dbraw/zinc/36/37/95/429363795.db2.gz ARVVGCSVAYHEDD-UHFFFAOYSA-N 2 0 321.534 2.906 20 0 DFADRP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+]CCC2CC(O)C2)CC1 ZINC000449283304 429374999 /nfs/dbraw/zinc/37/49/99/429374999.db2.gz LDPFTGOSRFDFPV-PPDQVPDSSA-N 2 0 316.489 2.833 20 0 DFADRP C[C@@H](Cc1ccccc1)[NH+]1CCC([NH2+]CCC2(O)CCC2)CC1 ZINC000449310313 429383069 /nfs/dbraw/zinc/38/30/69/429383069.db2.gz GKBKBZBWIDXVAV-KRWDZBQOSA-N 2 0 316.489 2.977 20 0 DFADRP C[NH+](C)C/C=C\C(=O)Nc1cccc(C[NH+]2CCCCC2)c1 ZINC000491642431 429383636 /nfs/dbraw/zinc/38/36/36/429383636.db2.gz MLQYDTPSSYRIJL-YFHOEESVSA-N 2 0 301.434 2.729 20 0 DFADRP C[C@@H]1C[NH2+]C[C@H]1C(=O)Nc1ccc(C[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000449317045 429385391 /nfs/dbraw/zinc/38/53/91/429385391.db2.gz AIZOPSVPUPDYSK-RVKKMQEKSA-N 2 0 315.461 2.855 20 0 DFADRP Cc1ccc([C@H](CNC(=O)C[C@@H]2CCCC[C@@H]2[NH3+])[NH+](C)C)cc1 ZINC000449331262 429389145 /nfs/dbraw/zinc/38/91/45/429389145.db2.gz XWAOUGHCBREUGE-BZSNNMDCSA-N 2 0 317.477 2.622 20 0 DFADRP O=C(C[C@@H]1CCC[NH2+]CC1)NC1CC[NH+](C2CCCCC2)CC1 ZINC000427293467 429442160 /nfs/dbraw/zinc/44/21/60/429442160.db2.gz BPBWJNDYAQDXMP-MRXNPFEDSA-N 2 0 321.509 2.680 20 0 DFADRP CC(C)[C@H](C(=O)N[C@H](C[NH3+])c1ccc2ccccc2c1)[NH+](C)C ZINC000278281353 275695687 /nfs/dbraw/zinc/69/56/87/275695687.db2.gz PXVVBLHYJZOUTO-QZTJIDSGSA-N 2 0 313.445 2.542 20 0 DFADRP C[N@H+](Cc1ccccc1)CC(C)(C)C[NH2+]CCC1(CO)CC1 ZINC000449579929 429454238 /nfs/dbraw/zinc/45/42/38/429454238.db2.gz LAYFNCSGHSMKHH-UHFFFAOYSA-N 2 0 304.478 2.897 20 0 DFADRP Cc1cc(-n2ccnc2)ccc1C[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000366532990 429471393 /nfs/dbraw/zinc/47/13/93/429471393.db2.gz GPIKUZMOPLYXLO-LJQANCHMSA-N 2 0 310.445 2.708 20 0 DFADRP CC[NH+](CC)C[C@@H]1CCN(C(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC000426797677 429418235 /nfs/dbraw/zinc/41/82/35/429418235.db2.gz GDGCQYBJDOQFAA-KRWDZBQOSA-N 2 0 323.525 2.689 20 0 DFADRP CSc1ccc([C@H](C[NH2+][C@@H]2CCC[C@H]([NH3+])C2)N(C)C)cc1 ZINC000518397092 429421341 /nfs/dbraw/zinc/42/13/41/429421341.db2.gz OOABECQTIFVHJK-UXLLHSPISA-N 2 0 307.507 2.871 20 0 DFADRP C[C@@H]1C[N@@H+]2CCCC[C@H]2CN1C(=O)C1(C[NH+](C)C)CCCCC1 ZINC000426887320 429423248 /nfs/dbraw/zinc/42/32/48/429423248.db2.gz VCJQUVRHNGDXGH-SJORKVTESA-N 2 0 321.509 2.584 20 0 DFADRP CC(C)[N@H+](C)Cc1ccccc1CNC(=O)C[C@@H]1CCC[NH2+]C1 ZINC000519646623 429475291 /nfs/dbraw/zinc/47/52/91/429475291.db2.gz KRJSOWGQPIAOJE-INIZCTEOSA-N 2 0 317.477 2.533 20 0 DFADRP c1cn2c(n1)C[C@@H]([NH2+]C1CC[NH+](C3CCCCC3)CC1)CC2 ZINC000427873526 429476393 /nfs/dbraw/zinc/47/63/93/429476393.db2.gz ZOTZIBGSZXJSFN-INIZCTEOSA-N 2 0 302.466 2.585 20 0 DFADRP CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC000427928567 429478236 /nfs/dbraw/zinc/47/82/36/429478236.db2.gz DGVZCCNCFOVEJU-KRWDZBQOSA-N 2 0 323.525 2.591 20 0 DFADRP Cc1cc(C)n(-c2ccc(C[N@@H+]3CC[C@H]4[NH2+]CC[C@H]4C3)cc2)n1 ZINC000428041067 429486245 /nfs/dbraw/zinc/48/62/45/429486245.db2.gz NLRAECARMOILHD-PKOBYXMFSA-N 2 0 310.445 2.673 20 0 DFADRP CC[N@H+](C)C[C@H](O)C[NH2+][C@@H]1CCCC[C@H]1Cc1ccccc1 ZINC000519803623 429489889 /nfs/dbraw/zinc/48/98/89/429489889.db2.gz SQEKWTWFHNPXKJ-IPMKNSEASA-N 2 0 304.478 2.690 20 0 DFADRP C[C@@H]([NH2+]C[C@@H]1CCC[C@H]1O)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000449737720 429493414 /nfs/dbraw/zinc/49/34/14/429493414.db2.gz SZXHEBRXCKNBGO-XGXHKWSGSA-N 2 0 302.462 2.648 20 0 DFADRP CC[NH+]1CCN(CC(C)(C)[NH2+]Cc2ccc(C)cc2OC)CC1 ZINC000449747186 429496001 /nfs/dbraw/zinc/49/60/01/429496001.db2.gz VUEHCJBALZZPTB-UHFFFAOYSA-N 2 0 319.493 2.509 20 0 DFADRP CC[NH+]1CCN(CC(C)(C)[NH2+]C[C@@H](C)c2ccc(F)cc2)CC1 ZINC000449746645 429496301 /nfs/dbraw/zinc/49/63/01/429496301.db2.gz SONOLXGFHUXXFX-MRXNPFEDSA-N 2 0 321.484 2.935 20 0 DFADRP CCc1nc(C)c(C[NH+]2CCC(OCC[NH+](CC)CC)CC2)o1 ZINC000428238738 429503828 /nfs/dbraw/zinc/50/38/28/429503828.db2.gz MGNDFZSJIYQJIH-UHFFFAOYSA-N 2 0 323.481 2.868 20 0 DFADRP c1ccc2c(c1)CCN2CC[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000428254035 429506341 /nfs/dbraw/zinc/50/63/41/429506341.db2.gz FMYZTGSERKSINC-GOSISDBHSA-N 2 0 313.489 2.857 20 0 DFADRP COc1cc(F)cc(C[C@H](C)[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000449783044 429510657 /nfs/dbraw/zinc/51/06/57/429510657.db2.gz MVZCPRYGSWYFGY-IAOVAPTHSA-N 2 0 306.425 2.982 20 0 DFADRP CC[N@H+](CCC1CCN(C(=O)/C=C/C[NH+](C)C)CC1)CC(C)C ZINC000492323615 429513253 /nfs/dbraw/zinc/51/32/53/429513253.db2.gz OBACEYJQQCVFGP-BQYQJAHWSA-N 2 0 323.525 2.711 20 0 DFADRP CCC[NH+]1CCC([NH2+][C@@H]2CCC[C@@H](c3ccnn3C)C2)CC1 ZINC000520720937 429524830 /nfs/dbraw/zinc/52/48/30/429524830.db2.gz DHHSRSNLNIQVFW-NVXWUHKLSA-N 2 0 304.482 2.910 20 0 DFADRP C[NH+]1CC[C@H](NC[C@H]2CCC[N@@H+](C)C2)C[C@@H]1c1ccccc1 ZINC000521414165 429550232 /nfs/dbraw/zinc/55/02/32/429550232.db2.gz YTJZGJUWBVGUFP-NZSAHSFTSA-N 2 0 301.478 2.753 20 0 DFADRP Cc1cc(C[NH+](C)C)cc(NC(=O)[C@@H]2C[C@H]3CCCC[N@@H+]3C2)c1 ZINC000366977101 429551197 /nfs/dbraw/zinc/55/11/97/429551197.db2.gz LJZXIVGZBNXVGD-SJLPKXTDSA-N 2 0 315.461 2.870 20 0 DFADRP C[NH+](C)CCOc1cccc(C[NH2+][C@@H]2CCC23CCOCC3)c1 ZINC000367050087 429564695 /nfs/dbraw/zinc/56/46/95/429564695.db2.gz LWYQYKATBFIMJR-GOSISDBHSA-N 2 0 318.461 2.676 20 0 DFADRP C[NH+]1CCN(C[C@H]2CCC[N@H+](CCCc3ccccc3)C2)CC1 ZINC000367110050 429581689 /nfs/dbraw/zinc/58/16/89/429581689.db2.gz LHRUBZDERIWNEI-FQEVSTJZSA-N 2 0 315.505 2.579 20 0 DFADRP C[C@@H](c1ccccc1)[N@H+](C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000367117329 429581840 /nfs/dbraw/zinc/58/18/40/429581840.db2.gz NZDDJPBTGHXGFK-QFBILLFUSA-N 2 0 301.478 2.848 20 0 DFADRP CCC(CC)NC(=O)[C@H](C)[NH+]1CCC(C[N@H+](C)C(C)C)CC1 ZINC000524156169 429619642 /nfs/dbraw/zinc/61/96/42/429619642.db2.gz PFJCYRVCXXLDRZ-HNNXBMFYSA-N 2 0 311.514 2.732 20 0 DFADRP CCCC[C@@H]1CCC[C@@H]1[NH2+]CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000492819328 429623782 /nfs/dbraw/zinc/62/37/82/429623782.db2.gz RFMIKZOVRPLEGB-QAPCUYQASA-N 2 0 321.509 2.678 20 0 DFADRP CCOCC(C)(C)C[NH2+][C@H]1CCN(Cc2ccccn2)C[C@@H]1C ZINC000367370021 429632452 /nfs/dbraw/zinc/63/24/52/429632452.db2.gz JWQJZXJAXNGGLU-WMZOPIPTSA-N 2 0 319.493 2.944 20 0 DFADRP CC(C)(C)[NH2+]CCNC(=O)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000429396784 429604346 /nfs/dbraw/zinc/60/43/46/429604346.db2.gz HCXQVXIDYLLTPY-UHFFFAOYSA-N 2 0 317.477 2.790 20 0 DFADRP CCC[N@H+](CC)Cc1ccc(C(=O)N2CCC([NH2+]C)CC2)cc1 ZINC000429411260 429607794 /nfs/dbraw/zinc/60/77/94/429607794.db2.gz WHJYKBJORQXKKJ-UHFFFAOYSA-N 2 0 317.477 2.743 20 0 DFADRP Cc1cc(NC(=O)C2CC[NH+](C3CC3)CC2)ccc1C[NH+](C)C ZINC000458258950 429608119 /nfs/dbraw/zinc/60/81/19/429608119.db2.gz FZXKEDUFVJNQEA-UHFFFAOYSA-N 2 0 315.461 2.870 20 0 DFADRP C[N@H+](CC12CCC(CC1)C2)C1CCN(CCn2cccn2)CC1 ZINC000450360654 429608530 /nfs/dbraw/zinc/60/85/30/429608530.db2.gz ASHKQEQSAQGQAZ-UHFFFAOYSA-N 2 0 316.493 2.860 20 0 DFADRP Cc1cc(NC(=O)CC2CC[NH+](C)CC2)ccc1C[NH+](C)C ZINC000458257871 429608884 /nfs/dbraw/zinc/60/88/84/429608884.db2.gz DQUZZGUDBYSEOA-UHFFFAOYSA-N 2 0 303.450 2.727 20 0 DFADRP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@@H+]2C[C@H]1CCC(F)(F)C1 ZINC000450600355 429658442 /nfs/dbraw/zinc/65/84/42/429658442.db2.gz NLLIBECSKFREPT-YJNKXOJESA-N 2 0 302.409 2.605 20 0 DFADRP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@@H+]2C[C@@H]1CCCCC1(F)F ZINC000450598605 429659102 /nfs/dbraw/zinc/65/91/02/429659102.db2.gz JQAACYVRXLWARL-ZJIFWQFVSA-N 2 0 316.436 2.995 20 0 DFADRP C[C@H]([NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1)c1cccc(-n2ccnn2)c1 ZINC000367490183 429659146 /nfs/dbraw/zinc/65/91/46/429659146.db2.gz NIGVBDWMGNRWNW-BHYGNILZSA-N 2 0 311.433 2.545 20 0 DFADRP C[N@@H+]1CC[C@H]([NH2+]Cc2ccccc2Cn2ccnc2)[C@@H]2CCC[C@H]21 ZINC000367518458 429663383 /nfs/dbraw/zinc/66/33/83/429663383.db2.gz IIVXYDRUDIYQTP-SLFFLAALSA-N 2 0 324.472 2.894 20 0 DFADRP C[N@@H+]1CC[C@H]([NH2+]Cc2ccccc2Cn2ccnc2)[C@H]2CCC[C@@H]21 ZINC000367518456 429663889 /nfs/dbraw/zinc/66/38/89/429663889.db2.gz IIVXYDRUDIYQTP-AABGKKOBSA-N 2 0 324.472 2.894 20 0 DFADRP C[N@@H+]1CC[C@H]([NH2+]Cc2ccccc2Cn2ccnc2)[C@H]2CCC[C@H]21 ZINC000367518457 429664437 /nfs/dbraw/zinc/66/44/37/429664437.db2.gz IIVXYDRUDIYQTP-HSALFYBXSA-N 2 0 324.472 2.894 20 0 DFADRP CN(CC[N@H+](C)C[C@@H]1CCCCC1(F)F)C1CC[NH+](C)CC1 ZINC000450624453 429665496 /nfs/dbraw/zinc/66/54/96/429665496.db2.gz AQHUXIUFIYLRAP-HNNXBMFYSA-N 2 0 317.468 2.770 20 0 DFADRP CC(C)[C@H](C(=O)NC1CC[NH+](C2CCC(C)CC2)CC1)[NH+](C)C ZINC000363089509 276012429 /nfs/dbraw/zinc/01/24/29/276012429.db2.gz ICCQHBBSSMRYEN-VMWRSERWSA-N 2 0 323.525 2.732 20 0 DFADRP CCc1nn(C)c(CC)c1C[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@@H]21 ZINC000367539336 429668453 /nfs/dbraw/zinc/66/84/53/429668453.db2.gz YRUUNJBICRTDNK-MZMPZRCHSA-N 2 0 304.482 2.507 20 0 DFADRP CC(C)c1ccc(C[N@H+](C)CCCN2CC[NH+](C)CC2)cc1 ZINC000266936543 276052483 /nfs/dbraw/zinc/05/24/83/276052483.db2.gz PYXJSGDTTXHHCH-UHFFFAOYSA-N 2 0 303.494 2.879 20 0 DFADRP CC[N@H+](C)[C@H](C(=O)NC[C@@H](C)C[NH+]1CCCC1)c1ccccc1 ZINC000264027638 276078118 /nfs/dbraw/zinc/07/81/18/276078118.db2.gz LSHCNVCMXIFJGM-AEFFLSMTSA-N 2 0 317.477 2.528 20 0 DFADRP CC[NH+]1CCC([NH2+]C[C@](C)(Cc2ccccc2)[C@H](C)O)CC1 ZINC000276895412 276151035 /nfs/dbraw/zinc/15/10/35/276151035.db2.gz MRLQUIHHWBAIHZ-LPHOPBHVSA-N 2 0 304.478 2.690 20 0 DFADRP C[NH+](C)Cc1cc(C[NH2+][C@@H]2CC[N@H+](C)[C@H]3CCC[C@@H]32)ccc1F ZINC000367603082 429681190 /nfs/dbraw/zinc/68/11/90/429681190.db2.gz YDYUWZPMVCUIIX-QRQLOZEOSA-N 3 0 319.468 2.850 20 0 DFADRP CC[NH+]1CCN([C@@H]2CCN(c3cc[nH+]c4ccc(C)cc43)C2)CC1 ZINC000302142461 276199103 /nfs/dbraw/zinc/19/91/03/276199103.db2.gz FQLIKUJUTNKOMS-QGZVFWFLSA-N 2 0 324.472 2.759 20 0 DFADRP CCC(C)(C)[NH2+][C@H](C)C(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccccc1 ZINC000274797532 276207615 /nfs/dbraw/zinc/20/76/15/276207615.db2.gz MNCZHNHWYFFKIA-PVAVHDDUSA-N 2 0 317.477 2.715 20 0 DFADRP CSc1ccccc1NC(=O)CCN1CCC[C@@H](C)[C@H]1C[NH3+] ZINC000430551788 429690263 /nfs/dbraw/zinc/69/02/63/429690263.db2.gz ISYHTKXJLQYGQZ-UKRRQHHQSA-N 2 0 321.490 2.796 20 0 DFADRP CCC[C@@H]([NH2+]C(C)C)C(=O)N[C@@H](C[NH+](C)C)c1ccc(F)cc1 ZINC000360212753 276271346 /nfs/dbraw/zinc/27/13/46/276271346.db2.gz KTTWKJIBGMJAJM-SJORKVTESA-N 2 0 323.456 2.711 20 0 DFADRP CC(=O)Nc1cccc(C[NH2+][C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@@H]32)c1 ZINC000367621289 429687854 /nfs/dbraw/zinc/68/78/54/429687854.db2.gz ZVOCVNKCODMVOI-KZNAEPCWSA-N 2 0 301.434 2.607 20 0 DFADRP COc1ccc(CC[NH2+][C@@H]2CC[N@H+](C)[C@@H]3CCC[C@@H]32)cc1OC ZINC000367614380 429688031 /nfs/dbraw/zinc/68/80/31/429688031.db2.gz GYLUXQHLJRBGNM-BRWVUGGUSA-N 2 0 318.461 2.709 20 0 DFADRP COc1ccc(CC[NH2+][C@@H]2CC[N@H+](C)[C@H]3CCC[C@@H]32)cc1OC ZINC000367614382 429688177 /nfs/dbraw/zinc/68/81/77/429688177.db2.gz GYLUXQHLJRBGNM-ZACQAIPSSA-N 2 0 318.461 2.709 20 0 DFADRP C[N@H+](CCc1nc(-c2ccc(Cl)cc2)no1)CC(C)(C)C[NH3+] ZINC000430588990 429699890 /nfs/dbraw/zinc/69/98/90/429699890.db2.gz GQIORQKNSHXXQT-UHFFFAOYSA-N 2 0 322.840 2.849 20 0 DFADRP CC[N@H+](C)[C@H](C(=O)N(C)CC[C@@H]([NH3+])C(C)C)c1ccccc1 ZINC000236886989 276309099 /nfs/dbraw/zinc/30/90/99/276309099.db2.gz UIVPSVKIPWFKQB-SJORKVTESA-N 2 0 305.466 2.511 20 0 DFADRP C[C@@H]([NH3+])[C@H]1CCC[N@H+](CCC(=O)Nc2ccc(Cl)cc2)C1 ZINC000430578334 429695979 /nfs/dbraw/zinc/69/59/79/429695979.db2.gz YLUXZRDCLJAKBE-OLZOCXBDSA-N 2 0 309.841 2.728 20 0 DFADRP CC[NH+]1CCN(CCC[NH2+][C@@H](C)C(C)(C)c2ccccc2)CC1 ZINC000154225626 276384103 /nfs/dbraw/zinc/38/41/03/276384103.db2.gz YVCIJRXPALKBAB-SFHVURJKSA-N 2 0 317.521 2.970 20 0 DFADRP [NH3+]C[C@@H]1CCC[N@H+](CCOc2ccc(OC(F)(F)F)cc2)C1 ZINC000430619968 429704063 /nfs/dbraw/zinc/70/40/63/429704063.db2.gz ARBDGQWVILYMTL-LBPRGKRZSA-N 2 0 318.339 2.635 20 0 DFADRP CC[NH+](CC)C[C@H]1CCCC[C@@H]1NC(=O)c1ccc(C[NH3+])cc1 ZINC000430776197 429715691 /nfs/dbraw/zinc/71/56/91/429715691.db2.gz OGYOBAGOQOYSLE-MSOLQXFVSA-N 2 0 317.477 2.776 20 0 DFADRP CC[N@@H+]1CC[C@H](N(C)C(=O)[C@H](C)[C@@H]([NH3+])c2ccccc2)C[C@@H]1C ZINC000430797350 429717619 /nfs/dbraw/zinc/71/76/19/429717619.db2.gz OMTBLZVFQZNEEQ-CIRFHOKZSA-N 2 0 317.477 2.654 20 0 DFADRP CC(C)[C@H](O)C[N@@H+]1CCC[C@@H]([NH+](C)Cc2ccccc2)CC1 ZINC000367795453 429717971 /nfs/dbraw/zinc/71/79/71/429717971.db2.gz VVKLEUDWEBPVOP-RTBURBONSA-N 2 0 304.478 2.990 20 0 DFADRP C[C@@H](CC(=O)Nc1ccc(CC[NH+](C)C)cc1)[C@@H]1CCC[NH2+]C1 ZINC000430877517 429721339 /nfs/dbraw/zinc/72/13/39/429721339.db2.gz YRYNWHUMNBVIGX-DOTOQJQBSA-N 2 0 317.477 2.755 20 0 DFADRP CN(C(=[NH2+])NC[C@H]1CC[N@H+](C)[C@@H]1c1cccc(Cl)c1)C1CC1 ZINC000367809449 429722179 /nfs/dbraw/zinc/72/21/79/429722179.db2.gz GHASTMSWZZFZTJ-CZUORRHYSA-N 2 0 320.868 2.951 20 0 DFADRP CCN(CC)c1ncc(C[NH+]2CCC3(CC[NH2+]C3)CC2)s1 ZINC000430909503 429722716 /nfs/dbraw/zinc/72/27/16/429722716.db2.gz OINQXSYHKWHXIW-UHFFFAOYSA-N 2 0 308.495 2.565 20 0 DFADRP CCc1ccc(NC(=O)[C@H](C)[NH+]2CCC([C@@H](C)[NH3+])CC2)cc1 ZINC000430944795 429726729 /nfs/dbraw/zinc/72/67/29/429726729.db2.gz OALFVLPESIZVSQ-KGLIPLIRSA-N 2 0 303.450 2.635 20 0 DFADRP C[NH2+]CC1CC[NH+]([C@H](C)C(=O)Nc2c(C)cc(C)cc2C)CC1 ZINC000430951086 429727202 /nfs/dbraw/zinc/72/72/02/429727202.db2.gz KJQVHSCMECBKLR-MRXNPFEDSA-N 2 0 317.477 2.870 20 0 DFADRP Cc1ccc(NC(=O)[C@H](C)[NH+]2CCC([C@H](C)[NH3+])CC2)cc1C ZINC000430940257 429728344 /nfs/dbraw/zinc/72/83/44/429728344.db2.gz JOMTWWMTQDHBAF-GJZGRUSLSA-N 2 0 303.450 2.690 20 0 DFADRP CSc1ccc(NC(=O)[C@H](C)[NH+]2CCC([C@H](C)[NH3+])CC2)cc1 ZINC000430955496 429729894 /nfs/dbraw/zinc/72/98/94/429729894.db2.gz AQHNLGJBOLMZFS-STQMWFEESA-N 2 0 321.490 2.795 20 0 DFADRP C[C@@H]1C[N@H+](CCc2nc(-c3ccc(Cl)cc3)no2)CC[C@H]1[NH3+] ZINC000430970873 429732488 /nfs/dbraw/zinc/73/24/88/429732488.db2.gz IWZLTKGQDCXNGX-BXUZGUMPSA-N 2 0 320.824 2.602 20 0 DFADRP CC(C)[NH+]1CCC(NC(=O)C[N@@H+]2CCC[C@@H](C(C)(C)C)C2)CC1 ZINC000483237856 429732916 /nfs/dbraw/zinc/73/29/16/429732916.db2.gz BUWCIEJEPGVVFX-MRXNPFEDSA-N 2 0 323.525 2.734 20 0 DFADRP Cc1ccccc1C[C@@H]1CCC[N@@H+]1Cc1nc(C(C)(C)[NH3+])no1 ZINC000431073488 429739439 /nfs/dbraw/zinc/73/94/39/429739439.db2.gz KBQGFHRLYOMSLT-HNNXBMFYSA-N 2 0 314.433 2.779 20 0 DFADRP Cc1ccccc1C[C@H]1CCC[N@@H+]1Cc1nc(C(C)(C)[NH3+])no1 ZINC000431073489 429739773 /nfs/dbraw/zinc/73/97/73/429739773.db2.gz KBQGFHRLYOMSLT-OAHLLOKOSA-N 2 0 314.433 2.779 20 0 DFADRP C[C@H]1[C@@H](Cc2ccccc2)CC[N@@H+]1Cc1nc(C(C)(C)[NH3+])no1 ZINC000431095398 429741363 /nfs/dbraw/zinc/74/13/63/429741363.db2.gz FUUPPVFWCGLIQJ-DZGCQCFKSA-N 2 0 314.433 2.717 20 0 DFADRP CCC[NH+]1CCC([NH2+][C@H]2CCN(c3ccccc3F)C2)CC1 ZINC000368139184 429796920 /nfs/dbraw/zinc/79/69/20/429796920.db2.gz HNHZHDOGUMMEQC-INIZCTEOSA-N 2 0 305.441 2.868 20 0 DFADRP Cc1ncc(C[N@@H+]2CC[C@@H](n3cnc4c3CCCC4)C2)s1 ZINC000432072977 429797973 /nfs/dbraw/zinc/79/79/73/429797973.db2.gz VBQYXLGSZDHILW-CYBMUJFWSA-N 2 0 302.447 2.974 20 0 DFADRP CN(CC1([NH+](C)C)CCC1)C(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC000451001708 429748829 /nfs/dbraw/zinc/74/88/29/429748829.db2.gz AOGNPCDBUDLHPM-KRWDZBQOSA-N 2 0 321.509 2.726 20 0 DFADRP CN1CC[NH+](CC2CC[NH+]([C@H]3CCc4ccccc43)CC2)CC1 ZINC000368052438 429775115 /nfs/dbraw/zinc/77/51/15/429775115.db2.gz VZNRMDQSWXCVHJ-FQEVSTJZSA-N 2 0 313.489 2.633 20 0 DFADRP CN1CCN(C)[C@H](C[NH2+][C@H]2CCC[C@H](c3ccccc3)CC2)C1 ZINC000527658635 429775764 /nfs/dbraw/zinc/77/57/64/429775764.db2.gz XYADRJHAOTYBJC-SLFFLAALSA-N 2 0 315.505 2.938 20 0 DFADRP COc1cc2ccccc2cc1C[NH2+]CCOCC[NH+](C)C ZINC000451152906 429775900 /nfs/dbraw/zinc/77/59/00/429775900.db2.gz DCZVAEWIOUXUNU-UHFFFAOYSA-N 2 0 302.418 2.516 20 0 DFADRP O[C@H]1CCC[C@@H]1[NH+]1CCC([NH2+]Cc2ccc3cc[nH]c3c2)CC1 ZINC000527674942 429776267 /nfs/dbraw/zinc/77/62/67/429776267.db2.gz MZDJFHQQHMBZNB-OALUTQOASA-N 2 0 313.445 2.635 20 0 DFADRP C[C@@H]([NH2+]Cc1ccccc1C[N@@H+]1CC[C@@H](O)C1)[C@@H]1C[C@H]1C1CC1 ZINC000527692318 429780610 /nfs/dbraw/zinc/78/06/10/429780610.db2.gz SBFFKQFNKAFFPU-FCDRMGDPSA-N 2 0 314.473 2.777 20 0 DFADRP C[C@@H]1CCCC[N@@H+]1CCNC(=O)C[C@H](c1ccccc1)[NH+](C)C ZINC000431745478 429781236 /nfs/dbraw/zinc/78/12/36/429781236.db2.gz QSQZPGYXOAJYJS-SJLPKXTDSA-N 2 0 317.477 2.670 20 0 DFADRP C[C@H]1C[N@H+](CCC[NH2+]Cc2ccc3cc[nH]c3c2)CCCO1 ZINC000527700537 429781372 /nfs/dbraw/zinc/78/13/72/429781372.db2.gz MCRMPTRDASZKGJ-HNNXBMFYSA-N 2 0 301.434 2.758 20 0 DFADRP CC[C@@H](C)[N@H+](C)CCNC(=O)[C@H]1CCCC[NH+]1C1CCCC1 ZINC000431788940 429781893 /nfs/dbraw/zinc/78/18/93/429781893.db2.gz OVLNNLVMCQZNCX-NVXWUHKLSA-N 2 0 309.498 2.630 20 0 DFADRP C[NH+](C)[C@H]1CCCN(C(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)CC1 ZINC000451194660 429785695 /nfs/dbraw/zinc/78/56/95/429785695.db2.gz WHZLOXBSDLUAOD-WMZOPIPTSA-N 2 0 321.509 2.726 20 0 DFADRP C[NH+](C)[C@@H](CC(=O)NCC1([NH+](C)C)CCCC1)c1ccccc1 ZINC000431906662 429790132 /nfs/dbraw/zinc/79/01/32/429790132.db2.gz HFYOVUQWMHHKNL-KRWDZBQOSA-N 2 0 317.477 2.670 20 0 DFADRP FC1(F)Oc2cccc(CC[NH2+][C@@H]3CC[N@@H+]4CCC[C@@H]4C3)c2O1 ZINC000527754333 429792270 /nfs/dbraw/zinc/79/22/70/429792270.db2.gz JRKVOLGVQIWTDO-ZIAGYGMSSA-N 2 0 324.371 2.767 20 0 DFADRP C[N@@H+]1CC[C@@H](CNc2cc(C(C)(C)C)nc(C(C)(C)C)n2)C1 ZINC000432368390 429817229 /nfs/dbraw/zinc/81/72/29/429817229.db2.gz MIKBDQFIBUOMFU-ZDUSSCGKSA-N 2 0 304.482 3.435 20 0 DFADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]CC[C@@H]2CCCOC2)[C@@H](C)C1 ZINC000527923649 429821746 /nfs/dbraw/zinc/82/17/46/429821746.db2.gz DIBWWEGRMVEJQJ-BZSNNMDCSA-N 2 0 312.498 2.530 20 0 DFADRP CC(C)[NH+]1CCC([NH2+]C[C@]2(C)COc3ccccc3O2)CC1 ZINC000527932248 429822494 /nfs/dbraw/zinc/82/24/94/429822494.db2.gz LMJPGSYDZJMGMJ-GOSISDBHSA-N 2 0 304.434 2.679 20 0 DFADRP CN(C)c1cc[nH+]cc1CNC[C@@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000368281334 429824435 /nfs/dbraw/zinc/82/44/35/429824435.db2.gz BJARFKWBDHQZMR-FXAWDEMLSA-N 2 0 324.472 2.930 20 0 DFADRP C[C@H](CC(=O)N(C)c1ccccc1)[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000368445210 429851072 /nfs/dbraw/zinc/85/10/72/429851072.db2.gz ITNNDCRKWAOJEX-NUJGCVRESA-N 2 0 315.461 2.644 20 0 DFADRP C[C@H]([NH3+])[C@H](C)C(=O)Nc1ccc(C[N@@H+]2CCCC[C@H]2C)cc1 ZINC000493991737 429852659 /nfs/dbraw/zinc/85/26/59/429852659.db2.gz IZBLLQXZLVNIBV-ILXRZTDVSA-N 2 0 303.450 2.983 20 0 DFADRP CC[C@H]([NH2+]Cc1ccccc1C[NH+]1C[C@H](C)C[C@@H](C)C1)C(N)=O ZINC000246491750 276586902 /nfs/dbraw/zinc/58/69/02/276586902.db2.gz ACRHLVCGMBMTRS-RKVPGOIHSA-N 2 0 317.477 2.518 20 0 DFADRP C[NH+]1CCC2(CCC[N@H+](CCCO[C@@H]3CCCCO3)C2)CC1 ZINC000368486264 429856358 /nfs/dbraw/zinc/85/63/58/429856358.db2.gz YYXFDZUFNSJHBT-QGZVFWFLSA-N 2 0 310.482 2.728 20 0 DFADRP CC(C)n1cc(CNC[C@H]2CC[N@H+](C)[C@H]2c2ccccc2)nn1 ZINC000368559252 429866655 /nfs/dbraw/zinc/86/66/55/429866655.db2.gz ZOANBQUNTCWTAX-AEFFLSMTSA-N 2 0 313.449 2.642 20 0 DFADRP C[C@H](C[C@H](O)c1ccccc1)[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@H]21 ZINC000368607579 429878024 /nfs/dbraw/zinc/87/80/24/429878024.db2.gz ILKNNSIPXULXHF-QTUASDBPSA-N 2 0 302.462 2.961 20 0 DFADRP C/C(Cl)=C\CN1CCN(CC[N@@H+](C)Cc2ccccc2)CC1 ZINC000528383329 429882757 /nfs/dbraw/zinc/88/27/57/429882757.db2.gz SIHFIBNROFYGHO-CAOOACKPSA-N 2 0 321.896 2.879 20 0 DFADRP C(CC[NH+]1CCO[C@@H]2CCC[C@@H]21)CC[N@@H+]1CCO[C@@H]2CCC[C@@H]21 ZINC000368736153 429890975 /nfs/dbraw/zinc/89/09/75/429890975.db2.gz NHGVHQXZZAXYKL-INDMIFKZSA-N 2 0 322.493 2.663 20 0 DFADRP CO[C@@H](Cc1ccc(F)cc1)C[N@@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000528478085 429891685 /nfs/dbraw/zinc/89/16/85/429891685.db2.gz SOWLFRGYLSSENJ-ROUUACIJSA-N 2 0 308.441 2.799 20 0 DFADRP CO[C@@H](Cc1ccc(F)cc1)C[N@@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000528512753 429895572 /nfs/dbraw/zinc/89/55/72/429895572.db2.gz NFUQFHJHFJHENZ-RBUKOAKNSA-N 2 0 320.452 2.801 20 0 DFADRP CN1CC[NH+](CC2(C)CC[NH+](CCc3ccccc3)CC2)CC1 ZINC000368834860 429897635 /nfs/dbraw/zinc/89/76/35/429897635.db2.gz PSSDZXPWQYAZAT-UHFFFAOYSA-N 2 0 315.505 2.579 20 0 DFADRP CC[N@H+](C)C[C@@H](O)C[NH+]1CC[C@H](c2ccc(F)cc2)C1(C)C ZINC000528746552 429912086 /nfs/dbraw/zinc/91/20/86/429912086.db2.gz WKDPZGDXSQDVGJ-IAGOWNOFSA-N 2 0 308.441 2.706 20 0 DFADRP CC(C)[NH+]1CCN(CCC[N@@H+]2CC[C@]3(CC[C@@H](C)C3)C2)CC1 ZINC000369122238 429914057 /nfs/dbraw/zinc/91/40/57/429914057.db2.gz OFDQODWBCMBDIP-MOPGFXCFSA-N 2 0 307.526 2.915 20 0 DFADRP Cc1ncc(C[NH2+]C[C@]2(C)CCCN2Cc2ccccc2)cn1 ZINC000494480965 429874993 /nfs/dbraw/zinc/87/49/93/429874993.db2.gz BULLDEPXEPNADG-IBGZPJMESA-N 2 0 310.445 2.929 20 0 DFADRP Cc1ccc(NC(=O)C[C@H](C)[NH2+]CC2CC[NH2+]CC2)cc1Cl ZINC000573830963 429986732 /nfs/dbraw/zinc/98/67/32/429986732.db2.gz VJACPYFLDIEGNI-ZDUSSCGKSA-N 2 0 323.868 2.955 20 0 DFADRP C[C@H]([NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)c1ccc2c(c1)CCC(=O)N2 ZINC000573476327 429956983 /nfs/dbraw/zinc/95/69/83/429956983.db2.gz WSBGTPLSSKZRPM-NKKGCODLSA-N 2 0 313.445 2.610 20 0 DFADRP CC1CCC([NH2+]Cc2ccccc2C[N@@H+]2CC[C@H](O)C2)CC1 ZINC000557898069 429958005 /nfs/dbraw/zinc/95/80/05/429958005.db2.gz ZBBLMSOLCKBQEG-PPSBMQLTSA-N 2 0 302.462 2.922 20 0 DFADRP CC(C)C[N@@H+]1CC[C@H](CNC(=O)CC[C@H]([NH3+])c2ccccc2)C1 ZINC000573561283 429961269 /nfs/dbraw/zinc/96/12/69/429961269.db2.gz CGRDVPMXHNRPRI-AEFFLSMTSA-N 2 0 317.477 2.561 20 0 DFADRP COc1nc(C)cc(C)c1C[N@@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC000639755166 429970927 /nfs/dbraw/zinc/97/09/27/429970927.db2.gz HCYORJHZDHCSLB-UHFFFAOYSA-N 2 0 303.450 2.625 20 0 DFADRP CO[C@H](C[N@@H+]1CCC2(C1)CC[NH+](C)CC2)c1ccc(F)cc1 ZINC000639756213 429971170 /nfs/dbraw/zinc/97/11/70/429971170.db2.gz RSBDPJXZGRBFFZ-QGZVFWFLSA-N 2 0 306.425 2.931 20 0 DFADRP CC(C)O[C@H](CN1CCC[C@](O)(C[NH+](C)C)C1)c1ccccc1 ZINC000639766828 429972133 /nfs/dbraw/zinc/97/21/33/429972133.db2.gz PBRCZVJLVCJXRP-MOPGFXCFSA-N 2 0 320.477 2.541 20 0 DFADRP C[NH+](C)C[C@]1(O)CCCN([C@@H]2CCCc3ccc(F)cc32)C1 ZINC000639766024 429972542 /nfs/dbraw/zinc/97/25/42/429972542.db2.gz LGAYSEAPYKQRIP-QZTJIDSGSA-N 2 0 306.425 2.592 20 0 DFADRP CC[C@]1(C[NH2+][C@@H]2CC[N@H+](C)C[C@H]2C)OCCc2ccccc21 ZINC000558500701 429975195 /nfs/dbraw/zinc/97/51/95/429975195.db2.gz JTUSYJUWPVWSFE-ATZDWAIDSA-N 2 0 302.462 2.794 20 0 DFADRP CC(C)[N@@H+]1CC[C@@H](C[NH2+]Cc2c[nH]nc2-c2ccsc2)C1 ZINC000573140401 429929694 /nfs/dbraw/zinc/92/96/94/429929694.db2.gz MYZFKRXGOPOWOJ-ZDUSSCGKSA-N 2 0 304.463 2.958 20 0 DFADRP C[C@@H](c1ccc(F)cc1)N1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000369360928 429929740 /nfs/dbraw/zinc/92/97/40/429929740.db2.gz ZGZLOPWXXXWZGO-YJBOKZPZSA-N 2 0 305.441 2.599 20 0 DFADRP CC(C)[NH+]1CCN([C@H]2CC[N@H+](CCCc3ccccc3)C2)CC1 ZINC000369397024 429936887 /nfs/dbraw/zinc/93/68/87/429936887.db2.gz CQUKWMXSRGMYSD-FQEVSTJZSA-N 2 0 315.505 2.720 20 0 DFADRP c1ccc(COCC[N@@H+]2CCCN(c3cc[nH+]cc3)CC2)cc1 ZINC000639682880 429944177 /nfs/dbraw/zinc/94/41/77/429944177.db2.gz CJWLKNMNAPRKCC-UHFFFAOYSA-N 2 0 311.429 2.811 20 0 DFADRP CCc1cc(CCC[N@@H+]2CCCN(c3cc[nH+]cc3)CC2)on1 ZINC000639683161 429945690 /nfs/dbraw/zinc/94/56/90/429945690.db2.gz HSZOCLXAOQXSRQ-UHFFFAOYSA-N 2 0 314.433 2.777 20 0 DFADRP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCCN(c3ccccc3)C2)CC[N@@H+]1C ZINC000369461948 429949869 /nfs/dbraw/zinc/94/98/69/429949869.db2.gz GZGDUMKWJOVZGD-FGTMMUONSA-N 2 0 301.478 2.975 20 0 DFADRP C[NH+](C)Cc1cccc(NC(=O)N2CCC[C@@H]([NH+](C)C)CC2)c1 ZINC000369355911 276772284 /nfs/dbraw/zinc/77/22/84/276772284.db2.gz ZEWZYAASCSMRJE-QGZVFWFLSA-N 2 0 318.465 2.696 20 0 DFADRP CCC1([NH+]2CCCC2)CCN([C@H]2CCN(C(C)(C)C)C2=O)CC1 ZINC000639987050 430045500 /nfs/dbraw/zinc/04/55/00/430045500.db2.gz VKSPBYOUHMXINZ-INIZCTEOSA-N 2 0 321.509 2.726 20 0 DFADRP CCC1([NH+]2CCCC2)CCN(CCCc2cncn2C)CC1 ZINC000639986094 430046203 /nfs/dbraw/zinc/04/62/03/430046203.db2.gz IXLJMMFBZCDPRI-UHFFFAOYSA-N 2 0 304.482 2.693 20 0 DFADRP CCC1([NH+]2CCCC2)CCN(CCO[C@H]2CC2(F)F)CC1 ZINC000639987015 430046364 /nfs/dbraw/zinc/04/63/64/430046364.db2.gz DUDAHHLRCWHGBU-AWEZNQCLSA-N 2 0 302.409 2.751 20 0 DFADRP Cc1ccc(CN2CC[C@H]([NH2+][C@@H](C)C3CC[NH+](C)CC3)C2)cc1 ZINC000631748716 429989645 /nfs/dbraw/zinc/98/96/45/429989645.db2.gz JSWZNVAJFMOOEC-PXNSSMCTSA-N 2 0 315.505 2.889 20 0 DFADRP [NH3+]C[C@@H]1CC[C@H]([NH2+][C@H]2CCCc3nn(-c4ccccc4)cc32)C1 ZINC000573953158 429997516 /nfs/dbraw/zinc/99/75/16/429997516.db2.gz LJKVFQMVYWUIJT-VKJFTORMSA-N 2 0 310.445 2.967 20 0 DFADRP C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1C[NH2+][C@@H]1CCCC[C@H]1O ZINC000634723657 430089273 /nfs/dbraw/zinc/08/92/73/430089273.db2.gz AGUSFAQSFRDAKK-JCHJZTRSSA-N 2 0 302.462 2.648 20 0 DFADRP COc1cc(C)c(C[NH2+][C@H]2CC[NH2+]CC(C)(C)C2)cc1OC ZINC000634732553 430093223 /nfs/dbraw/zinc/09/32/23/430093223.db2.gz IXGRWOYSTUZZBU-HNNXBMFYSA-N 2 0 306.450 2.880 20 0 DFADRP CCN(CC)c1ncc(C[NH2+][C@H]2CC[NH2+]CC(C)(C)C2)s1 ZINC000634733055 430093833 /nfs/dbraw/zinc/09/38/33/430093833.db2.gz WFXSWECBJQLGJJ-ZDUSSCGKSA-N 2 0 310.511 2.857 20 0 DFADRP CC1(C)C[NH2+]CC[C@@H]([NH2+]Cc2ccnn2-c2ccc(F)cc2)C1 ZINC000634733246 430094402 /nfs/dbraw/zinc/09/44/02/430094402.db2.gz AVORNWOMHNNPLS-OAHLLOKOSA-N 2 0 316.424 2.879 20 0 DFADRP C[C@@H](N[C@@H](C[NH+](C)C)c1ccc(Cl)c(Cl)c1)C1C[NH2+]C1 ZINC000530226914 430105361 /nfs/dbraw/zinc/10/53/61/430105361.db2.gz UXFROWYXWGDMFM-BMIGLBTASA-N 2 0 316.276 2.794 20 0 DFADRP C[C@H]1O[C@@H](C)[C@H](C)[C@H]1[NH2+][C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000530222819 430106350 /nfs/dbraw/zinc/10/63/50/430106350.db2.gz HRNAHXNAUFOTFG-BGUWFUEQSA-N 2 0 316.445 2.644 20 0 DFADRP CCc1ccccc1C[NH+]1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000530241328 430107171 /nfs/dbraw/zinc/10/71/71/430107171.db2.gz QDNSNZDEPDXBGE-LJQANCHMSA-N 2 0 302.462 2.840 20 0 DFADRP CC[C@@H]1C[N@H+](C[C@H](O)CN(C)C2CC2)CC[C@@H]1c1ccccc1 ZINC000562035736 430107451 /nfs/dbraw/zinc/10/74/51/430107451.db2.gz OHGMCASJIRUCRA-AHRSYUTCSA-N 2 0 316.489 2.957 20 0 DFADRP C[C@@H]1CCCC[C@@H]1OCC[NH+]1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000530240394 430107525 /nfs/dbraw/zinc/10/75/25/430107525.db2.gz LJBRNJPLNMWBPG-QRQLOZEOSA-N 2 0 324.509 2.672 20 0 DFADRP Clc1ccc(C[NH+]2CCC(CO[C@H]3CC[NH2+]C3)CC2)s1 ZINC000530239651 430108184 /nfs/dbraw/zinc/10/81/84/430108184.db2.gz HKSMACHKXNJMDE-ZDUSSCGKSA-N 2 0 314.882 2.992 20 0 DFADRP COc1ccc(C[N@H+](CCn2ccnc2)[C@H](C)CCCO)cc1 ZINC000640016551 430055544 /nfs/dbraw/zinc/05/55/44/430055544.db2.gz NKKDZUJXPUBFQM-MRXNPFEDSA-N 2 0 317.433 2.555 20 0 DFADRP CCn1ccnc1[C@@H](C)NCc1cn(-c2cc[nH+]cc2)nc1C ZINC000562661789 430163290 /nfs/dbraw/zinc/16/32/90/430163290.db2.gz DVPMTDJTQMRSGH-CQSZACIVSA-N 2 0 310.405 2.643 20 0 DFADRP C[NH+](C)CC1CC[NH+]([C@H](c2nnc[nH]2)C2CCCCC2)CC1 ZINC000637907178 430166906 /nfs/dbraw/zinc/16/69/06/430166906.db2.gz HTYOFZPYHSOGOK-INIZCTEOSA-N 2 0 305.470 2.700 20 0 DFADRP Cc1ccc(CC[NH2+][C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)o1 ZINC000581005958 430169797 /nfs/dbraw/zinc/16/97/97/430169797.db2.gz JLEQIBUOBXHOTJ-IEBWSBKVSA-N 2 0 312.413 2.976 20 0 DFADRP CC(C)CC[C@@H]([NH3+])C(=O)NC[C@H]([NH3+])c1ccc(C(C)C)cc1 ZINC000637833307 430141776 /nfs/dbraw/zinc/14/17/76/430141776.db2.gz RMHGTBAVEGBTPG-SJORKVTESA-N 2 0 305.466 2.690 20 0 DFADRP C[NH2+]CCC1CC[NH+]([C@H](C)C(=O)N[C@@H]2CCC[C@@H](C)[C@H]2C)CC1 ZINC000261979105 277021515 /nfs/dbraw/zinc/02/15/15/277021515.db2.gz HELZRRMLPJVLTR-YFHUEUNASA-N 2 0 323.525 2.637 20 0 DFADRP COc1cncc(C[NH+]2CCC(C[N@H+](C)C(C)C)CC2)c1C ZINC000637958172 430184847 /nfs/dbraw/zinc/18/48/47/430184847.db2.gz NBXRVBZXJHZLJK-UHFFFAOYSA-N 2 0 305.466 2.951 20 0 DFADRP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+]CCc1nc(-c2ccncc2)cs1 ZINC000581185264 430186078 /nfs/dbraw/zinc/18/60/78/430186078.db2.gz NQMNBUJZJRTGNI-CABCVRRESA-N 2 0 316.474 2.997 20 0 DFADRP C[N@@H+]1CCC[C@@H]1CC[NH+]1CCC[C@@]1(CO)Cc1ccccc1 ZINC000355663887 277060408 /nfs/dbraw/zinc/06/04/08/277060408.db2.gz DSUWSLAAKUINGS-MOPGFXCFSA-N 2 0 302.462 2.540 20 0 DFADRP Nc1ccc(-c2cccc(C[NH+]3CCC(CC[NH3+])CC3)n2)cc1 ZINC000634996805 430186807 /nfs/dbraw/zinc/18/68/07/430186807.db2.gz VSFRHULSLPLPPZ-UHFFFAOYSA-N 2 0 310.445 2.892 20 0 DFADRP Nc1ccc(-c2cccc(C[NH2+][C@H]3CCCC[C@@H]3C[NH3+])n2)cc1 ZINC000634994955 430187377 /nfs/dbraw/zinc/18/73/77/430187377.db2.gz QXZPQBCLOPEQJB-QAPCUYQASA-N 2 0 310.445 2.938 20 0 DFADRP C[C@@H](Nc1cc(N2CC[NH2+]CC2)cc[nH+]1)c1ccc2c(c1)COC2 ZINC000635006391 430194564 /nfs/dbraw/zinc/19/45/64/430194564.db2.gz BLILAPUBEOXVNN-CQSZACIVSA-N 2 0 324.428 2.695 20 0 DFADRP [NH3+]C1CCC([NH2+][C@H](CO)c2cccc(C(F)(F)F)c2)CC1 ZINC000634997686 430188720 /nfs/dbraw/zinc/18/87/20/430188720.db2.gz QQGDBBOUCRKDRR-JXQTWKCFSA-N 2 0 302.340 2.598 20 0 DFADRP CCOc1cc(C[N@H+]2C[C@@H](C[NH3+])[C@H](C)C2)ccc1OC(F)F ZINC000635000534 430189733 /nfs/dbraw/zinc/18/97/33/430189733.db2.gz QBWPDVJZFUYAKP-DGCLKSJQSA-N 2 0 314.376 2.713 20 0 DFADRP C[C@H]1C[N@H+](Cc2cn(C)nc2-c2cc3ccccc3o2)C[C@@H]1C[NH3+] ZINC000634998846 430190158 /nfs/dbraw/zinc/19/01/58/430190158.db2.gz LSGJKIYXWXVAHC-ZFWWWQNUSA-N 2 0 324.428 2.860 20 0 DFADRP C[C@@H]1C[N@H+](Cc2cnn(-c3ccc(Cl)cc3)c2)C[C@H]1C[NH3+] ZINC000634998646 430190228 /nfs/dbraw/zinc/19/02/28/430190228.db2.gz IZJLICAZIYMJNS-TZMCWYRMSA-N 2 0 304.825 2.552 20 0 DFADRP C[N@H+](CCCC[NH+]1CCCCC1)C[C@H](O)Cc1ccccc1 ZINC000640532949 430191232 /nfs/dbraw/zinc/19/12/32/430191232.db2.gz LOTYIMMPWDNQCT-LJQANCHMSA-N 2 0 304.478 2.788 20 0 DFADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1CN[C@H]1CCC[C@H]([NH3+])C1 ZINC000635002970 430191455 /nfs/dbraw/zinc/19/14/55/430191455.db2.gz CSRKHEKPSLYECV-BVBHFADKSA-N 2 0 301.478 2.614 20 0 DFADRP C[C@H](C(=O)N1CCCCCC1)[N@H+](C)CCCC[NH+]1CCCCC1 ZINC000640532124 430191649 /nfs/dbraw/zinc/19/16/49/430191649.db2.gz WZARJCMACICUAZ-GOSISDBHSA-N 2 0 323.525 2.975 20 0 DFADRP [NH3+]C1CCC([NH2+][C@@H]2[C@H]3Cc4cc(Br)ccc4[C@@H]23)CC1 ZINC000635001087 430191692 /nfs/dbraw/zinc/19/16/92/430191692.db2.gz GEYVEASVIBDSKI-MVKYRMLYSA-N 2 0 321.262 2.947 20 0 DFADRP Brc1ccc2c(c1)C[C@@H]1[C@H]2[C@H]1[NH2+]C[C@H]1CCC[NH2+]C1 ZINC000635001346 430191819 /nfs/dbraw/zinc/19/18/19/430191819.db2.gz PUUVGCDRCLMDFW-YVFQKMDQSA-N 2 0 321.262 2.676 20 0 DFADRP COCCc1nc(C)c([C@@H](C)[NH2+][C@H]2CC[C@H](C[NH3+])CC2)s1 ZINC000635006329 430192922 /nfs/dbraw/zinc/19/29/22/430192922.db2.gz RBSGTTXNAIQRQB-MRVWCRGKSA-N 2 0 311.495 2.809 20 0 DFADRP C[C@@H](CC(=O)Nc1ccc(F)cc1)[NH2+][C@H]1CC[C@H](C[NH3+])CC1 ZINC000635007311 430193113 /nfs/dbraw/zinc/19/31/13/430193113.db2.gz PCYQEXZERUJIAJ-YDHLFZDLSA-N 2 0 307.413 2.650 20 0 DFADRP C[N@@H+]1CC[C@H]([NH2+]C2CCN(c3nccs3)CC2)[C@H]2CCC[C@H]21 ZINC000353587547 277169828 /nfs/dbraw/zinc/16/98/28/277169828.db2.gz ZXAZXTNHGSQZQL-OWCLPIDISA-N 2 0 320.506 2.574 20 0 DFADRP C[N@@H+]1CC[C@H]([NH2+]Cc2ccc3c(c2)OCCCO3)[C@H]2CCC[C@H]21 ZINC000375808460 277172274 /nfs/dbraw/zinc/17/22/74/277172274.db2.gz RVPOXBPLWWENDI-IXDOHACOSA-N 2 0 316.445 2.810 20 0 DFADRP C[N@@H+]1CC[C@H]([NH2+]Cc2ccc3c(c2)OCCCO3)[C@H]2CCC[C@@H]21 ZINC000375808459 277172358 /nfs/dbraw/zinc/17/23/58/277172358.db2.gz RVPOXBPLWWENDI-IKGGRYGDSA-N 2 0 316.445 2.810 20 0 DFADRP c1cc2n(n1)CCC[C@@H]2[NH2+][C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000635012507 430195226 /nfs/dbraw/zinc/19/52/26/430195226.db2.gz MULDYFMPUCLRFD-TXPKVOOTSA-N 2 0 324.428 2.564 20 0 DFADRP CC[C@H](Nc1cc(N2CC[NH2+]CC2)cc[nH+]1)c1ccc(F)cn1 ZINC000635010332 430195875 /nfs/dbraw/zinc/19/58/75/430195875.db2.gz SHFNUGUTTRNEGD-HNNXBMFYSA-N 2 0 315.396 2.589 20 0 DFADRP CN(C)C(=O)C(C)(C)[NH2+]Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000581296667 430196161 /nfs/dbraw/zinc/19/61/61/430196161.db2.gz FRHDPVHWXHQUSL-UHFFFAOYSA-N 2 0 317.477 2.629 20 0 DFADRP CO[C@@H]1[C@@H](C)[C@@H]([NH2+]Cc2cccc3c2CC[NH2+]C3)C12CCC2 ZINC000635008642 430196821 /nfs/dbraw/zinc/19/68/21/430196821.db2.gz FYCOSDUIWPVWQI-MORSLUCNSA-N 2 0 300.446 2.626 20 0 DFADRP FCCC[C@H]1CCC[C@H]1Nc1cc(N2CC[NH2+]CC2)cc[nH+]1 ZINC000635012856 430197619 /nfs/dbraw/zinc/19/76/19/430197619.db2.gz WIEMKXPBRRAVHB-GDBMZVCRSA-N 2 0 306.429 2.822 20 0 DFADRP C[C@@H](C[C@H]1CCCCC[NH2+]1)[NH2+]CCn1ccc(C(F)(F)F)n1 ZINC000635014433 430198100 /nfs/dbraw/zinc/19/81/00/430198100.db2.gz ULIDUUHKGRVHTI-QWHCGFSZSA-N 2 0 318.387 2.802 20 0 DFADRP CC(C)[NH2+]C1CC[NH+](C[C@@H]2CCN(c3ccccc3)C2)CC1 ZINC000637999033 430199770 /nfs/dbraw/zinc/19/97/70/430199770.db2.gz MWVNMSLAZPXNGH-KRWDZBQOSA-N 2 0 301.478 2.975 20 0 DFADRP CC[NH2+][C@H](C)C(=O)NC[C@@H](c1cccs1)[NH+]1CCC(C)CC1 ZINC000638049403 430218599 /nfs/dbraw/zinc/21/85/99/430218599.db2.gz DZDVSOYKGBCUTG-CABCVRRESA-N 2 0 323.506 2.635 20 0 DFADRP CC(C)CC[C@@H]([NH3+])C(=O)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000638065593 430224743 /nfs/dbraw/zinc/22/47/43/430224743.db2.gz VGBSVVFUYZPEID-GOSISDBHSA-N 2 0 317.477 2.662 20 0 DFADRP CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)C1(C[NH+](C)C)CCCCC1 ZINC000358561716 277392649 /nfs/dbraw/zinc/39/26/49/277392649.db2.gz WKDUYRXEIHSHLL-QGZVFWFLSA-N 2 0 323.525 2.735 20 0 DFADRP CC(C)C[N@@H+]1CCC[C@H](CN[C@@H]2CC[NH+](C)[C@H]3CCC[C@@H]32)C1 ZINC000353617567 277397138 /nfs/dbraw/zinc/39/71/38/277397138.db2.gz DJQLTAUHOVRZMF-MKXGPGLRSA-N 2 0 307.526 2.817 20 0 DFADRP Cc1ccc(C[N@@H+](C)CC2CC[NH+](C[C@H](C)O)CC2)c(F)c1 ZINC000638045807 430216884 /nfs/dbraw/zinc/21/68/84/430216884.db2.gz RREZIOIRRAZVFF-HNNXBMFYSA-N 2 0 308.441 2.659 20 0 DFADRP Cc1ccc(-c2n[nH]cc2CN2CC[C@@]3(C2)CCC[NH2+]C3)cc1 ZINC000566230455 430250267 /nfs/dbraw/zinc/25/02/67/430250267.db2.gz XJVVLVZVWFJYOC-IBGZPJMESA-N 2 0 310.445 2.961 20 0 DFADRP CC(C)[NH+]1CCC(N2CC[NH+](CC3(C(C)C)CC3)CC2)CC1 ZINC000638152135 430253337 /nfs/dbraw/zinc/25/33/37/430253337.db2.gz JSEFZVGVSSOYOL-UHFFFAOYSA-N 2 0 307.526 2.913 20 0 DFADRP Cn1cncc1CCC[N@@H+]1CC[C@@H](n2ncc3ccccc32)C1 ZINC000566417735 430257792 /nfs/dbraw/zinc/25/77/92/430257792.db2.gz XOYDGNNFWIWVQC-QGZVFWFLSA-N 2 0 309.417 2.649 20 0 DFADRP Cn1cncc1CCC[N@H+](CCc1ccccc1)[C@H]1CCOC1 ZINC000566415095 430257875 /nfs/dbraw/zinc/25/78/75/430257875.db2.gz WXGSOESBNRQLHX-IBGZPJMESA-N 2 0 313.445 2.686 20 0 DFADRP CC[N@H+](C)C[C@H](O)CN[C@H](CC(F)(F)F)c1ccccc1 ZINC000566417321 430258338 /nfs/dbraw/zinc/25/83/38/430258338.db2.gz XFXIZOYSJUOCPE-ZIAGYGMSSA-N 2 0 304.356 2.582 20 0 DFADRP CC[NH+](CC)[C@H](C(=O)N[C@@H](C[NH3+])CC(C)C)c1ccccc1 ZINC000582065473 430265818 /nfs/dbraw/zinc/26/58/18/430265818.db2.gz OVXYVRRJGMQAPW-SJORKVTESA-N 2 0 305.466 2.559 20 0 DFADRP CCN(C(=O)[C@@H](C)[NH+](C)C)[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000635404886 430268891 /nfs/dbraw/zinc/26/88/91/430268891.db2.gz JZYINQZVQYJOLG-NUJGCVRESA-N 2 0 317.477 2.621 20 0 DFADRP C[C@H](Cc1ccsc1)[N@@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@H]21 ZINC000544008753 430270009 /nfs/dbraw/zinc/27/00/09/430270009.db2.gz PBZHCQUDTIPNDL-XLNGHYISSA-N 2 0 308.491 2.863 20 0 DFADRP CC(C)CC[C@@H]([NH3+])C(=O)N[C@@H](C[NH3+])c1ccc2ccccc2c1 ZINC000638205364 430273492 /nfs/dbraw/zinc/27/34/92/430273492.db2.gz PLVNJFSVNQGHFT-MSOLQXFVSA-N 2 0 313.445 2.719 20 0 DFADRP C[N@@H+]1CC[C@H](CC(=O)Nc2ccc(CC[NH+]3CCCC3)cc2)C1 ZINC000635415226 430274848 /nfs/dbraw/zinc/27/48/48/430274848.db2.gz ATTUJYKNQMQAED-QGZVFWFLSA-N 2 0 315.461 2.605 20 0 DFADRP Cc1ncc2c(n1)CCN(Cc1cc(-n3ccnc3)cs1)C2 ZINC000544350117 430279069 /nfs/dbraw/zinc/27/90/69/430279069.db2.gz GYDGYBTXFXIPLO-UHFFFAOYSA-N 2 0 311.414 2.591 20 0 DFADRP CC[NH2+][C@H](C)C(=O)NCc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000638083632 430230097 /nfs/dbraw/zinc/23/00/97/430230097.db2.gz AUMSMVLQJALTOP-MRXNPFEDSA-N 2 0 317.477 2.677 20 0 DFADRP C[NH+](C)C1CCC(NC(=O)CC[N@H+](C)C2CCCCC2)CC1 ZINC000581720110 430233464 /nfs/dbraw/zinc/23/34/64/430233464.db2.gz ZPJBRLSGXYDWKJ-UHFFFAOYSA-N 2 0 309.498 2.630 20 0 DFADRP Cc1ccc([C@H](CNC(=O)[C@@H]([NH3+])CCC(C)C)[NH+]2CCCC2)o1 ZINC000638097079 430235383 /nfs/dbraw/zinc/23/53/83/430235383.db2.gz VFEYQKRZILOYSI-HOTGVXAUSA-N 2 0 321.465 2.605 20 0 DFADRP COc1cncc(CN2CCC[C@H]([NH+]3CCCC3)CC2)c1C ZINC000638103933 430236600 /nfs/dbraw/zinc/23/66/00/430236600.db2.gz CWZVWPOVDZSYSZ-KRWDZBQOSA-N 2 0 303.450 2.849 20 0 DFADRP Cn1ccnc1[C@H](C1CC1)[NH+]1CCC(CCC[NH+](C)C)CC1 ZINC000638120729 430241118 /nfs/dbraw/zinc/24/11/18/430241118.db2.gz HIWZKNMJWMBTKN-KRWDZBQOSA-N 2 0 304.482 2.925 20 0 DFADRP CC(C)C[C@H](CNC(=O)[C@H](C)[C@H](C)[NH3+])[NH2+][C@H](C)c1ccccc1 ZINC000567802238 430289831 /nfs/dbraw/zinc/28/98/31/430289831.db2.gz ODCBAOSRARWMLU-KYHPRHEASA-N 2 0 319.493 2.851 20 0 DFADRP CC[C@@H]([NH2+]C1CC[NH+](CC(C)(C)O)CC1)c1ccc(OC)cc1 ZINC000638282584 430293790 /nfs/dbraw/zinc/29/37/90/430293790.db2.gz FOOFVIDAQSYBKB-GOSISDBHSA-N 2 0 320.477 2.971 20 0 DFADRP c1cn(CC[NH2+][C@@H]2CCN(C3CC3)[C@@H](c3ccccc3)C2)cn1 ZINC000638298397 430297033 /nfs/dbraw/zinc/29/70/33/430297033.db2.gz OYXDTVNQGZGLNS-IEBWSBKVSA-N 3 0 310.445 2.841 20 0 DFADRP C[C@H](C(=O)NCC1([NH2+][C@@H](C)c2ccccc2)CCCC1)[NH+](C)C ZINC000635561589 430308505 /nfs/dbraw/zinc/30/85/05/430308505.db2.gz FXHBDZCJBXJDOG-JKSUJKDBSA-N 2 0 317.477 2.716 20 0 DFADRP CC(C)(O)C[NH+]1CCC([NH2+][C@H]2CCC[C@H](C(F)(F)F)C2)CC1 ZINC000638346954 430311698 /nfs/dbraw/zinc/31/16/98/430311698.db2.gz IPLQGAPESSMQOV-JSGCOSHPSA-N 2 0 322.415 2.932 20 0 DFADRP C[NH+](C)C[C@H]1CCCCN1C(=O)CC[N@H+](C)C1CCCCC1 ZINC000545310117 430313937 /nfs/dbraw/zinc/31/39/37/430313937.db2.gz OREZHOILTBMEPP-QGZVFWFLSA-N 2 0 309.498 2.584 20 0 DFADRP CO[C@@H](C[NH2+]CCCC[N@@H+]1CCC[C@@H](C)C1)C1CCOCC1 ZINC000638366565 430318343 /nfs/dbraw/zinc/31/83/43/430318343.db2.gz OJUYVPIGCWOOIC-AEFFLSMTSA-N 2 0 312.498 2.530 20 0 DFADRP CC(C)(C)O[C@H]1C[C@@H]([NH2+]CCCC[NH+]2CCOCC2)C12CCC2 ZINC000638369509 430318541 /nfs/dbraw/zinc/31/85/41/430318541.db2.gz BZGSQHCZOPPGBE-SJORKVTESA-N 2 0 324.509 2.815 20 0 DFADRP CO[C@H](C[NH2+]CCCC[NH+]1CCC(C)CC1)C1CCOCC1 ZINC000638369338 430319151 /nfs/dbraw/zinc/31/91/51/430319151.db2.gz GFIMQTAODHTBMX-GOSISDBHSA-N 2 0 312.498 2.530 20 0 DFADRP CC[N@H+](C)C[C@@H](O)CN[C@@H](c1ccccc1)c1ccc(F)cc1 ZINC000568164482 430322976 /nfs/dbraw/zinc/32/29/76/430322976.db2.gz RCTOWSDTNKUVFD-OALUTQOASA-N 2 0 316.420 2.817 20 0 DFADRP C[C@@H](C[NH2+]C[C@H]1CCN(c2ccccc2)C1)C[NH+]1CCCC1 ZINC000638386782 430325752 /nfs/dbraw/zinc/32/57/52/430325752.db2.gz OZBVCAJECILZOI-ZWKOTPCHSA-N 2 0 301.478 2.834 20 0 DFADRP Cc1ccc(C[NH+](C)C)cc1NC(=O)C12CCC[NH+](CCC1)C2 ZINC000635651023 430335296 /nfs/dbraw/zinc/33/52/96/430335296.db2.gz GYEKJXPEEXAWAM-UHFFFAOYSA-N 2 0 315.461 2.871 20 0 DFADRP CCC[C@@H](C[NH2+]Cc1cccc(CN2CCO[C@@H](C)C2)c1)OC ZINC000638421411 430337985 /nfs/dbraw/zinc/33/79/85/430337985.db2.gz VFKHAYDIFPIGEL-LPHOPBHVSA-N 2 0 320.477 2.812 20 0 DFADRP CC(C)[N@H+](C)Cc1cccc(C[NH2+]CCCc2cnn(C)c2)c1 ZINC000638434646 430341160 /nfs/dbraw/zinc/34/11/60/430341160.db2.gz OLFIJVUZGHDIQE-UHFFFAOYSA-N 2 0 314.477 2.983 20 0 DFADRP CC[C@H]1C[C@@H]([NH2+]Cc2cn(-c3cc[nH+]cc3)nc2C)CCO1 ZINC000582898829 430344584 /nfs/dbraw/zinc/34/45/84/430344584.db2.gz YDAOKRFQVKGKSO-RDJZCZTQSA-N 2 0 300.406 2.623 20 0 DFADRP CC[C@H]([NH3+])c1cn(Cc2ccc(C[NH+]3CCCCC3)cc2)nn1 ZINC000641179252 430353643 /nfs/dbraw/zinc/35/36/43/430353643.db2.gz HQGADPRKNRBACW-KRWDZBQOSA-N 2 0 313.449 2.722 20 0 DFADRP CC(C)(C[NH2+]C[C@@H](O)CCc1ccccc1)C[NH+]1CCCC1 ZINC000568502389 430363780 /nfs/dbraw/zinc/36/37/80/430363780.db2.gz ODKQSRSUDMQMHS-SFHVURJKSA-N 2 0 304.478 2.692 20 0 DFADRP COCC1(CC[NH2+][C@H]2CCN(CCc3ccccc3)C2)CC1 ZINC000583144167 430368606 /nfs/dbraw/zinc/36/86/06/430368606.db2.gz SOZUKLTZMUDICC-SFHVURJKSA-N 2 0 302.462 2.710 20 0 DFADRP C[NH+](C)CC1(C(=O)Nc2cccc(CC[NH+]3CCCC3)c2)CC1 ZINC000635759511 430369638 /nfs/dbraw/zinc/36/96/38/430369638.db2.gz CNZVWYGLKRKGHM-UHFFFAOYSA-N 2 0 315.461 2.605 20 0 DFADRP C[C@H]1C[C@@H]([NH2+]CCc2ccc(OCC[NH+](C)C)cc2)CS1 ZINC000638539286 430371282 /nfs/dbraw/zinc/37/12/82/430371282.db2.gz MLLQYGJJNPPRDR-GOEBONIOSA-N 2 0 308.491 2.653 20 0 DFADRP Cc1cnc(CC[N@@H+](C)Cc2ccc3c(c2)C[NH2+]CC3)s1 ZINC000568641785 430377705 /nfs/dbraw/zinc/37/77/05/430377705.db2.gz QLLQACPFSQLTNW-UHFFFAOYSA-N 2 0 301.459 2.772 20 0 DFADRP CO[C@H](C[NH2+]C[C@H]1CCC[N@@H+](C(C)C)C1)Cc1ccccc1 ZINC000638566784 430378534 /nfs/dbraw/zinc/37/85/34/430378534.db2.gz QNBPYVYDEKYWEH-MOPGFXCFSA-N 2 0 304.478 2.954 20 0 DFADRP C[NH+]1CCC(C[NH2+]Cc2ccc3ccc(F)c(F)c3n2)CC1 ZINC000638566245 430378616 /nfs/dbraw/zinc/37/86/16/430378616.db2.gz DRARATXNOGIBSP-UHFFFAOYSA-N 2 0 305.372 2.944 20 0 DFADRP [NH3+]CC12CCC(CC1)CN2C(=O)CC[C@H]([NH3+])CC1CCCCC1 ZINC000583270420 430379918 /nfs/dbraw/zinc/37/99/18/430379918.db2.gz DGSPKQFOJNFFJU-HFCFLWKCSA-N 2 0 321.509 2.794 20 0 DFADRP C[C@H]1C[C@@H]([NH2+]CCC(=O)Nc2cccc(Cl)c2)CC[N@@H+]1C ZINC000568740307 430386628 /nfs/dbraw/zinc/38/66/28/430386628.db2.gz FEMUPDZMUJCOCP-JSGCOSHPSA-N 2 0 309.841 2.741 20 0 DFADRP C[C@@H]1CCN(CC[NH2+][C@@H]2C[C@@H](C)CN(Cc3ccccc3)C2)C1 ZINC000547362838 430387506 /nfs/dbraw/zinc/38/75/06/430387506.db2.gz IDDCYJUNRGNJBB-QWFCFKBJSA-N 2 0 315.505 2.828 20 0 DFADRP CC[NH+]1CCC(C[NH2+][C@H](C)c2ccc([S@@](C)=O)cc2)CC1 ZINC000569057837 430418028 /nfs/dbraw/zinc/41/80/28/430418028.db2.gz YPDONOJLMLQQAF-SPLOXXLWSA-N 2 0 308.491 2.807 20 0 DFADRP CC(C)c1nc([C@H](C)[NH2+]CCCC[NH+]2CCN(C)CC2)cs1 ZINC000547399731 430391122 /nfs/dbraw/zinc/39/11/22/430391122.db2.gz PUTLSQSUKCEAIV-HNNXBMFYSA-N 2 0 324.538 2.945 20 0 DFADRP CCC[N@H+](CC)Cc1ccc(C(=O)N[C@H]2CC[C@@H](C)[NH2+]C2)cc1 ZINC000638644032 430398723 /nfs/dbraw/zinc/39/87/23/430398723.db2.gz NXQIGDKUVXFBTH-QAPCUYQASA-N 2 0 317.477 2.789 20 0 DFADRP CCCC[N@@H+]1CCCC[C@H]1CNC(=O)c1ccccc1CC[NH3+] ZINC000568894379 430404265 /nfs/dbraw/zinc/40/42/65/430404265.db2.gz KTMZPZJSTXDLPM-KRWDZBQOSA-N 2 0 317.477 2.572 20 0 DFADRP CN(Cc1ccccc1)[C@H](C[NH2+]C[C@H](O)C(C)(C)C)C1CC1 ZINC000568976624 430410147 /nfs/dbraw/zinc/41/01/47/430410147.db2.gz ADNQCDOGKQZUAH-MSOLQXFVSA-N 2 0 304.478 2.894 20 0 DFADRP CC[NH+]1CCC(CC[NH2+][C@@H](C)Cc2ccnc(OC)c2)CC1 ZINC000638693433 430410824 /nfs/dbraw/zinc/41/08/24/430410824.db2.gz SDESKOCWKICBEG-HNNXBMFYSA-N 2 0 305.466 2.733 20 0 DFADRP [NH3+]Cc1ccc(C[NH2+]Cc2cccc3c2OC(F)(F)O3)cc1 ZINC000569244106 430435599 /nfs/dbraw/zinc/43/55/99/430435599.db2.gz QEDDQWSVTYNXJY-UHFFFAOYSA-N 2 0 306.312 2.757 20 0 DFADRP C[C@@H](c1nc(C(C)(C)C)no1)N1CC[C@@H](c2nccn2C)C1 ZINC000583879723 430436911 /nfs/dbraw/zinc/43/69/11/430436911.db2.gz AEVZJBBXEMPSAS-NWDGAFQWSA-N 2 0 303.410 2.651 20 0 DFADRP CCC(C)(C)[NH2+][C@H](C)C(=O)N(C)CCCC[NH+]1CCCCC1 ZINC000641673842 430439677 /nfs/dbraw/zinc/43/96/77/430439677.db2.gz YFTRLHQDQZMIHC-MRXNPFEDSA-N 2 0 311.514 2.878 20 0 DFADRP C[NH+]1CCN(c2cc[nH+]cc2NCc2nc3ccccc3o2)CC1 ZINC000638811393 430441045 /nfs/dbraw/zinc/44/10/45/430441045.db2.gz SVJWTJSHWGGGMQ-UHFFFAOYSA-N 2 0 323.400 2.587 20 0 DFADRP CC[N@@H+]1CCCC[C@@H]1CNC(=O)CC[NH+](C)C1CCCCC1 ZINC000548064242 430443003 /nfs/dbraw/zinc/44/30/03/430443003.db2.gz DWKSSLKQPSVLMX-QGZVFWFLSA-N 2 0 309.498 2.632 20 0 DFADRP C[C@@H](O)[C@](C)(C[NH2+][C@@H](C)[C@@H]1CCC[NH2+]C1)Cc1ccccc1 ZINC000583928630 430443069 /nfs/dbraw/zinc/44/30/69/430443069.db2.gz MEMMXIPVBVZEHC-ISARSNTHSA-N 2 0 304.478 2.594 20 0 DFADRP C[C@@H]1C[N@@H+]2CCCC[C@H]2CN1C(=O)CC[NH+](C)C1CCCCC1 ZINC000548061405 430443278 /nfs/dbraw/zinc/44/32/78/430443278.db2.gz ULSQHDZGZPZPFW-AEFFLSMTSA-N 2 0 321.509 2.726 20 0 DFADRP C[C@H]1C[N@@H+]2CCCC[C@H]2CN1C(=O)CC[NH+](C)C1CCCCC1 ZINC000548061408 430443989 /nfs/dbraw/zinc/44/39/89/430443989.db2.gz ULSQHDZGZPZPFW-WMZOPIPTSA-N 2 0 321.509 2.726 20 0 DFADRP C[N@H+]1CC=C(C[NH2+]Cc2cc(Cl)cc(Cl)c2N)CC1 ZINC000638839086 430451540 /nfs/dbraw/zinc/45/15/40/430451540.db2.gz XAFREWOGWGRZQO-UHFFFAOYSA-N 2 0 300.233 2.927 20 0 DFADRP CCc1noc(C2CCC([NH2+][C@@H]3C[C@H]3C3CC[NH2+]CC3)CC2)n1 ZINC000569437564 430453074 /nfs/dbraw/zinc/45/30/74/430453074.db2.gz NKNKGTOQOUVXKY-SSHXOBKSSA-N 2 0 318.465 2.636 20 0 DFADRP C[C@H](NCC[N@@H+]1CC[C@@H](C)C1)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000548155711 430453169 /nfs/dbraw/zinc/45/31/69/430453169.db2.gz CIFXJNPMUVZGDX-WSTZPKSXSA-N 2 0 315.505 2.828 20 0 DFADRP C[N@H+](Cc1ccccc1NC(=O)NC1C[NH2+]C1)C1CCCCC1 ZINC000569437215 430453593 /nfs/dbraw/zinc/45/35/93/430453593.db2.gz DAKMAKJZJMLSQQ-UHFFFAOYSA-N 2 0 316.449 2.544 20 0 DFADRP C[N@@H+]1CCC[C@@H](CNCc2ccncc2N)[C@H]1c1cccs1 ZINC000641728841 430453951 /nfs/dbraw/zinc/45/39/51/430453951.db2.gz ILARLURPKHGJGL-YOEHRIQHSA-N 2 0 316.474 2.898 20 0 DFADRP CC(C)([NH3+])CC(=O)N[C@H]1CCCCC[N@H+](Cc2ccccc2)C1 ZINC000638852039 430455329 /nfs/dbraw/zinc/45/53/29/430455329.db2.gz UQFMFBAASNVAHL-KRWDZBQOSA-N 2 0 317.477 2.675 20 0 DFADRP COc1ccccc1N1CC[C@H]([NH2+][C@H]2CCCCC[C@@H]2[NH3+])C1 ZINC000569472746 430456405 /nfs/dbraw/zinc/45/64/05/430456405.db2.gz MVKYMEUNBPVCJG-JYJNAYRXSA-N 2 0 303.450 2.524 20 0 DFADRP C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1[NH2+]Cc1ccncc1N ZINC000641737444 430457221 /nfs/dbraw/zinc/45/72/21/430457221.db2.gz VLLBUSHCGIRWNJ-HOTGVXAUSA-N 2 0 324.472 2.910 20 0 DFADRP C[C@@H]([NH2+]Cc1ccncc1N)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000641746107 430458850 /nfs/dbraw/zinc/45/88/50/430458850.db2.gz MZJSTTXKKJQSFQ-CRAIPNDOSA-N 2 0 310.445 2.664 20 0 DFADRP C[N@H+](CCC(=O)NC[C@H]1[NH+](C)CCCC1(C)C)C1CCCCC1 ZINC000548394265 430468912 /nfs/dbraw/zinc/46/89/12/430468912.db2.gz OPMJDPSYLKIZGY-QGZVFWFLSA-N 2 0 323.525 2.878 20 0 DFADRP CC[N@H+](Cc1ccc(C(=O)N2C[C@@H](C)[C@@H](C[NH3+])C2)cc1)C(C)C ZINC000638894157 430470047 /nfs/dbraw/zinc/47/00/47/430470047.db2.gz PNYBJDMQBLWCFR-QAPCUYQASA-N 2 0 317.477 2.584 20 0 DFADRP CC(C)C[N@@H+]1CC[C@H](CNC(=O)CC[NH+](C)C2CCCCC2)C1 ZINC000548392890 430470223 /nfs/dbraw/zinc/47/02/23/430470223.db2.gz WMAWAKHCRCCAQQ-QGZVFWFLSA-N 2 0 323.525 2.735 20 0 DFADRP COc1ccc([C@H](NCCOCC2CCC2)[C@H]2CCC[NH2+]2)cc1 ZINC000569684197 430477717 /nfs/dbraw/zinc/47/77/17/430477717.db2.gz FGRWYNGCDBQXHC-MOPGFXCFSA-N 2 0 318.461 2.895 20 0 DFADRP CC1(C)[C@H]([NH2+]CCC(=O)Nc2ccc(Cl)cc2F)C[C@@H]1[NH3+] ZINC000641804174 430478179 /nfs/dbraw/zinc/47/81/79/430478179.db2.gz JACOAGGWQHDMKK-QWHCGFSZSA-N 2 0 313.804 2.523 20 0 DFADRP CC(C)[NH+]1CCC(O)(C[NH2+]C[C@H]2CCc3ccccc3C2)CC1 ZINC000638737053 430421311 /nfs/dbraw/zinc/42/13/11/430421311.db2.gz CQOSXGZGKAZDAA-KRWDZBQOSA-N 2 0 316.489 2.616 20 0 DFADRP c1cc2c(cc1CN1CCC[C@@H]([NH+]3CCCC3)CC1)C[NH2+]CC2 ZINC000583758177 430426188 /nfs/dbraw/zinc/42/61/88/430426188.db2.gz XWORZQOYRJLHHS-HXUWFJFHSA-N 2 0 313.489 2.783 20 0 DFADRP C[C@H]([NH2+]CC1(C)CC[NH2+]CC1)c1ccc2c(c1)CCC(=O)N2 ZINC000583806627 430429722 /nfs/dbraw/zinc/42/97/22/430429722.db2.gz JRPXMVOUFVCYFE-ZDUSSCGKSA-N 2 0 301.434 2.612 20 0 DFADRP C[C@H]([NH2+]CC1CC[NH+](C)CC1)c1cncc(Br)c1 ZINC000583824046 430432547 /nfs/dbraw/zinc/43/25/47/430432547.db2.gz QJEGNZMSZCRKIC-NSHDSACASA-N 2 0 312.255 2.837 20 0 DFADRP CC(C)[N@@H+]1CCC[C@H](CN[C@@H](c2ncc[nH]2)c2ccccn2)C1 ZINC000569737870 430482805 /nfs/dbraw/zinc/48/28/05/430482805.db2.gz DZNWMOHPIRRIQS-NVXWUHKLSA-N 2 0 313.449 2.604 20 0 DFADRP CCC1([NH+](C)C)CCN(C(=O)[C@H]([NH3+])CC2CCCCC2)CC1 ZINC000638979564 430486682 /nfs/dbraw/zinc/48/66/82/430486682.db2.gz FKKJULJMJOTWDK-MRXNPFEDSA-N 2 0 309.498 2.617 20 0 DFADRP CC1(C)CCC[C@@H](C[N@@H+]2CCC[C@H](n3cc(C[NH3+])nn3)C2)C1 ZINC000569909085 430496816 /nfs/dbraw/zinc/49/68/16/430496816.db2.gz LBBXNURFDIONOW-ZBFHGGJFSA-N 2 0 305.470 2.590 20 0 DFADRP C[C@H](C(=O)N1CC[C@@H](C[NH3+])c2ccccc21)[C@H]([NH3+])c1ccccc1 ZINC000639069615 430510400 /nfs/dbraw/zinc/51/04/00/430510400.db2.gz YUCLZCSIYGSGGZ-QOKNQOGYSA-N 2 0 323.440 2.802 20 0 DFADRP [NH3+]C[C@H]1CCN(C(=O)CC[C@H]([NH3+])c2ccccc2)c2ccccc21 ZINC000639068748 430511130 /nfs/dbraw/zinc/51/11/30/430511130.db2.gz IWJUAOJIYLGKGW-AEFFLSMTSA-N 2 0 323.440 2.946 20 0 DFADRP CC[C@](C)(C[N@@H+]1CC[C@H](CN(C)Cc2cccnc2)C1)OC ZINC000639079534 430513639 /nfs/dbraw/zinc/51/36/39/430513639.db2.gz FTTCZTXONREICN-QZTJIDSGSA-N 2 0 305.466 2.650 20 0 DFADRP CCC[C@@H](C[N@@H+]1CC[C@@H](CN(C)Cc2cccnc2)C1)OC ZINC000639080643 430513911 /nfs/dbraw/zinc/51/39/11/430513911.db2.gz MMXABZYDRATYSP-ROUUACIJSA-N 2 0 305.466 2.650 20 0 DFADRP CC[NH+]1CCN(c2ccc(C[NH2+][C@H]3CCC[C@H]4C[C@H]43)cn2)CC1 ZINC000549042799 430516243 /nfs/dbraw/zinc/51/62/43/430516243.db2.gz LVMKEVCJMCRSNC-KSZLIROESA-N 2 0 314.477 2.502 20 0 DFADRP C[C@@H]1C[C@@H]([NH3+])CC[N@@H+]1CCc1nc(-c2ccc(Cl)cc2)no1 ZINC000570174117 430521047 /nfs/dbraw/zinc/52/10/47/430521047.db2.gz YGGFYYWEXQFSAS-RISCZKNCSA-N 2 0 320.824 2.744 20 0 DFADRP C[C@H]1C[C@H](CC[NH2+]Cc2cnccn2)C[N@@H+]1Cc1ccccc1 ZINC000570176986 430522428 /nfs/dbraw/zinc/52/24/28/430522428.db2.gz KHAICYOELRTPLM-WMZOPIPTSA-N 2 0 310.445 2.867 20 0 DFADRP C[NH+](C)Cc1ccccc1NC(=O)C1CC[NH+](C2CC2)CC1 ZINC000549630179 430528724 /nfs/dbraw/zinc/52/87/24/430528724.db2.gz UNPFWBIRWVDDHO-UHFFFAOYSA-N 2 0 301.434 2.561 20 0 DFADRP COC(=O)CCC[C@@H]1CCC[C@H]([NH2+]C[C@@H]2CCC[N@H+](C)C2)C1 ZINC000549755444 430530356 /nfs/dbraw/zinc/53/03/56/430530356.db2.gz MLUZWOVROXADBB-ULQDDVLXSA-N 2 0 310.482 2.820 20 0 DFADRP COC(=O)CCC[C@@H]1CCC[C@@H]([NH2+]C[C@H]2CCC[N@H+](C)C2)C1 ZINC000549755443 430530901 /nfs/dbraw/zinc/53/09/01/430530901.db2.gz MLUZWOVROXADBB-GVDBMIGSSA-N 2 0 310.482 2.820 20 0 DFADRP O[C@H](C[NH2+][C@H]1CCN(C2CC2)[C@@H](c2ccccc2)C1)C1CC1 ZINC000639173059 430552865 /nfs/dbraw/zinc/55/28/65/430552865.db2.gz SORCOMQFYCRXAQ-QXAKKESOSA-N 2 0 300.446 2.715 20 0 DFADRP C[C@H](N[C@H](C[NH+]1CCCCC1)c1ccccc1)[C@H]1CC[NH2+]C1 ZINC000643451910 430601131 /nfs/dbraw/zinc/60/11/31/430601131.db2.gz WJRARYRVLBZWRV-YTQUADARSA-N 2 0 301.478 2.801 20 0 DFADRP COc1ncc([C@@H](C)[NH2+][C@@H]2CCn3ccnc3C2)cc1Cl ZINC000570651582 430562557 /nfs/dbraw/zinc/56/25/57/430562557.db2.gz VHXOKMCUKAUVBA-ZYHUDNBSSA-N 2 0 306.797 2.606 20 0 DFADRP [NH3+][C@H]1CCCCCC[C@H]1C(=O)Nc1cccc2c1CC[NH2+]C2 ZINC000570675163 430565726 /nfs/dbraw/zinc/56/57/26/430565726.db2.gz RZDHYRVDQGRFDK-CVEARBPZSA-N 2 0 301.434 2.569 20 0 DFADRP c1ccc([C@@H](C[NH+]2CCCCC2)N[C@@H]2CCC[NH2+]CC2)cc1 ZINC000643451862 430601339 /nfs/dbraw/zinc/60/13/39/430601339.db2.gz MKNGJDCRZMBSKM-RTBURBONSA-N 2 0 301.478 2.945 20 0 DFADRP C[N@@H+]1CCC[C@@H](N2CCN(Cc3cccc(C4CC4)c3)CC2)C1 ZINC000643285616 430573870 /nfs/dbraw/zinc/57/38/70/430573870.db2.gz XMSNWUVFQIIXKC-HXUWFJFHSA-N 2 0 313.489 2.776 20 0 DFADRP C[C@@H]1CCC[N@@H+](C(C)(C)CN[C@@H]2CC[NH+](C)[C@H]3CCC[C@@H]32)C1 ZINC000552047818 430581105 /nfs/dbraw/zinc/58/11/05/430581105.db2.gz ZTFANYIMHBFQTJ-TVFCKZIOSA-N 2 0 307.526 2.959 20 0 DFADRP C[C@H]([NH2+][C@H]1CCN(C2CC[NH+](C)CC2)C1)c1ccncc1Cl ZINC000643346174 430589187 /nfs/dbraw/zinc/58/91/87/430589187.db2.gz GTIWAWFKASKGQK-KBPBESRZSA-N 2 0 322.884 2.554 20 0 DFADRP c1[nH+]cn2cc(C[NH2+]C[C@@H]3CCN(c4ccccc4)C3)ccc12 ZINC000639256628 430589814 /nfs/dbraw/zinc/58/98/14/430589814.db2.gz KORUAVDAQMIDIS-KRWDZBQOSA-N 2 0 306.413 2.950 20 0 DFADRP CN1CC[C@H](C[NH2+]CC(C)(C)O)[C@H]1c1ccc(Cl)c(F)c1 ZINC000570956089 430593085 /nfs/dbraw/zinc/59/30/85/430593085.db2.gz RZNBGTCHXMZDII-IUODEOHRSA-N 2 0 314.832 2.832 20 0 DFADRP C[C@H]([NH2+]C[C@@H]1CCN(c2ccc(Cl)cc2)C1)[C@H]1CC[NH2+]C1 ZINC000643453197 430602267 /nfs/dbraw/zinc/60/22/67/430602267.db2.gz ONYFTIIQGFRYTN-KKUMJFAQSA-N 2 0 307.869 2.754 20 0 DFADRP CO[C@H](C[NH2+][C@@H]1CCCN2CCCC[C@H]12)Cc1ccccc1 ZINC000639303870 430602415 /nfs/dbraw/zinc/60/24/15/430602415.db2.gz WDGGQEISDFEFMV-IPMKNSEASA-N 2 0 302.462 2.851 20 0 DFADRP C[C@H]([NH2+]C[C@H]1CCN(c2ccc(Cl)cc2)C1)[C@@H]1CCC[NH2+]1 ZINC000643453115 430602454 /nfs/dbraw/zinc/60/24/54/430602454.db2.gz IEXISEQASNGMPT-VBQJREDUSA-N 2 0 307.869 2.896 20 0 DFADRP Cc1cnccc1CC[NH2+][C@@H](C)c1cn(-c2ccccc2)nn1 ZINC000552578018 430600084 /nfs/dbraw/zinc/60/00/84/430600084.db2.gz OREFMWRILXZSNQ-HNNXBMFYSA-N 2 0 307.401 2.864 20 0 DFADRP Cc1ccccc1[C@@H]1C[C@H]1[NH2+]C1CC[NH+](CC(C)(C)O)CC1 ZINC000639289510 430600204 /nfs/dbraw/zinc/60/02/04/430600204.db2.gz BHSVYWPIDGMNCH-ZWKOTPCHSA-N 2 0 302.462 2.676 20 0 DFADRP CC[C@H]1CN(c2cc[nH+]c3cc(F)c(OC)cc32)CC[C@H]1[NH3+] ZINC000643033074 430543409 /nfs/dbraw/zinc/54/34/09/430543409.db2.gz KVTPJZUSWSWFDU-SMDDNHRTSA-N 2 0 303.381 2.946 20 0 DFADRP COc1cc2c(cc1F)[nH+]ccc2N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000643031616 430543583 /nfs/dbraw/zinc/54/35/83/430543583.db2.gz TWPARMODMROHQT-ABAIWWIYSA-N 2 0 301.365 2.571 20 0 DFADRP COc1ccc(COCCN2CCCC[C@H]2[C@H]2CCC[NH2+]2)cc1 ZINC000643061670 430546504 /nfs/dbraw/zinc/54/65/04/430546504.db2.gz FEIXCSXSUHCFSY-MOPGFXCFSA-N 2 0 318.461 2.818 20 0 DFADRP COCCOc1ccccc1CNC[C@H]1CC[N@@H+](C(C)C)C1 ZINC000554882618 430653923 /nfs/dbraw/zinc/65/39/23/430653923.db2.gz LATZGLVRPYTLDZ-MRXNPFEDSA-N 2 0 306.450 2.532 20 0 DFADRP C[C@H](NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1)[C@@H]1CCC[NH2+]C1 ZINC000643457653 430604477 /nfs/dbraw/zinc/60/44/77/430604477.db2.gz UPSPIDAPJPWDFZ-YSIASYRMSA-N 2 0 315.505 2.876 20 0 DFADRP CC[C@H](C)[C@@H](C[NH2+]CC1CC[NH+](Cc2ccncc2)CC1)OC ZINC000639310779 430605786 /nfs/dbraw/zinc/60/57/86/430605786.db2.gz HFLTYZLCXABYMS-QFBILLFUSA-N 2 0 319.493 2.944 20 0 DFADRP [NH3+]CCC[NH2+][C@@H](c1ccc(Br)cc1)[C@@H]1CCCO1 ZINC000643496706 430608471 /nfs/dbraw/zinc/60/84/71/430608471.db2.gz MQABGKQVCBBBGU-KBPBESRZSA-N 2 0 313.239 2.608 20 0 DFADRP [NH3+]C1(C[NH2+]C2CCC(O)(C(F)(F)F)CC2)CCCCCC1 ZINC000643498578 430609197 /nfs/dbraw/zinc/60/91/97/430609197.db2.gz FJYQHQBCMCLLOD-UHFFFAOYSA-N 2 0 308.388 2.864 20 0 DFADRP C[C@H](Cc1ccccc1)[NH+]1CCC(NC[C@H]2CCCC[NH2+]2)CC1 ZINC000643502775 430609816 /nfs/dbraw/zinc/60/98/16/430609816.db2.gz QMLKDFFDIFLWGJ-YLJYHZDGSA-N 2 0 315.505 2.814 20 0 DFADRP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]C1CCC2(CC1)c1ccccc1NC2=O ZINC000643512227 430611285 /nfs/dbraw/zinc/61/12/85/430611285.db2.gz CSJWEXVGIZSOGP-ZTCUZBCZSA-N 2 0 313.445 2.536 20 0 DFADRP C[C@H]([NH2+][C@@H]1CCCC[C@@H]1C[NH3+])c1ccc2c(c1)CCC(=O)N2 ZINC000643512056 430611609 /nfs/dbraw/zinc/61/16/09/430611609.db2.gz FMWLZKWXZNDSJT-APHBMKBZSA-N 2 0 301.434 2.739 20 0 DFADRP Cc1cccc(NC(=O)C[C@H](C)[NH2+]CC[C@@H]2CCC[NH2+]C2)c1 ZINC000643510440 430611735 /nfs/dbraw/zinc/61/17/35/430611735.db2.gz VWDKNJLRSLPXNV-HOTGVXAUSA-N 2 0 303.450 2.691 20 0 DFADRP C[C@H]([NH2+][C@@H]1CC12CC[NH2+]CC2)c1cnn(Cc2ccccc2)c1 ZINC000643535032 430612609 /nfs/dbraw/zinc/61/26/09/430612609.db2.gz HWJDXJLYSLERLA-MAUKXSAKSA-N 2 0 310.445 2.724 20 0 DFADRP C[C@@H]([NH2+][C@@H]1CC12CC[NH2+]CC2)c1nc(C(F)(F)F)cs1 ZINC000643534870 430613479 /nfs/dbraw/zinc/61/34/79/430613479.db2.gz DYSATQDCJFEIEM-RKDXNWHRSA-N 2 0 305.369 2.955 20 0 DFADRP COc1cc(F)c([C@H](C)[NH2+][C@@H]2CC23CC[NH2+]CC3)cc1OC ZINC000643537057 430613831 /nfs/dbraw/zinc/61/38/31/430613831.db2.gz YNFRIUPPKAWAII-MEDUHNTESA-N 2 0 308.397 2.636 20 0 DFADRP COc1cc(F)c([C@@H](C)[NH2+][C@@H]2CC23CC[NH2+]CC3)cc1OC ZINC000643537055 430613845 /nfs/dbraw/zinc/61/38/45/430613845.db2.gz YNFRIUPPKAWAII-BDJLRTHQSA-N 2 0 308.397 2.636 20 0 DFADRP COc1ccc([C@H](C)[NH2+][C@@H]2CC23CC[NH2+]CC3)c(C)c1OC ZINC000643535806 430614340 /nfs/dbraw/zinc/61/43/40/430614340.db2.gz JNZWCKSLGWKZPM-XJKSGUPXSA-N 2 0 304.434 2.805 20 0 DFADRP C[C@H]([NH2+][C@@H]1CC12CC[NH2+]CC2)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000643536487 430614542 /nfs/dbraw/zinc/61/45/42/430614542.db2.gz UIPQQWQAEFXIDM-YTQUADARSA-N 3 0 313.489 2.629 20 0 DFADRP COc1ccc2c(c1)[C@H]([NH2+][C@H]1CC13CC[NH2+]CC3)CCS2 ZINC000643535209 430615079 /nfs/dbraw/zinc/61/50/79/430615079.db2.gz KMOMWXUMGXDCLW-ZBFHGGJFSA-N 2 0 304.459 2.964 20 0 DFADRP C[C@@H]([NH2+][C@@H]1CC[NH2+]C2(CCC2)C1)c1ccccc1-n1ccnn1 ZINC000643547630 430616385 /nfs/dbraw/zinc/61/63/85/430616385.db2.gz IOHBHTRXLOKOBG-HUUCEWRRSA-N 2 0 311.433 2.593 20 0 DFADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C[NH2+][C@H]1CO[C@H](C2CC2)C1 ZINC000639360400 430620131 /nfs/dbraw/zinc/62/01/31/430620131.db2.gz WYHXCCXIYMBZTN-NMLACTOBSA-N 2 0 314.473 2.912 20 0 DFADRP C[C@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)CC[N@H+](C)C1CCCCC1 ZINC000553777263 430622590 /nfs/dbraw/zinc/62/25/90/430622590.db2.gz YVZJCJPJYYDQBO-WMZOPIPTSA-N 2 0 321.509 2.726 20 0 DFADRP C[C@@H](CCc1ccc(F)cc1)[NH2+][C@@H]1CCC[C@@H]1N1CC[C@@H](O)C1 ZINC000639369983 430622573 /nfs/dbraw/zinc/62/25/73/430622573.db2.gz BIMNVIQAWFEJEY-PIKADFDJSA-N 2 0 320.452 2.724 20 0 DFADRP C[C@H]([NH2+][C@@H]1CCC[C@@H]1N1CC[C@H](O)C1)[C@@H]1C[C@H]1c1ccccc1 ZINC000639369871 430623088 /nfs/dbraw/zinc/62/30/88/430623088.db2.gz AWUGORJTCRGMSE-YFFHVDCVSA-N 2 0 314.473 2.756 20 0 DFADRP c1cc(N2CCC([NH2+][C@@H](C3CCC3)[C@@H]3CCCO3)CC2)cc[nH+]1 ZINC000639390064 430631738 /nfs/dbraw/zinc/63/17/38/430631738.db2.gz SUPIWGWKGGPFPK-OALUTQOASA-N 2 0 315.461 2.988 20 0 DFADRP CC(C)c1[nH+]c(CN(C)[C@H]2C[NH+]3CCC2CC3)c2ccccn21 ZINC000639396347 430633416 /nfs/dbraw/zinc/63/34/16/430633416.db2.gz KAZIYWLIJIMGOI-SFHVURJKSA-N 2 0 312.461 2.984 20 0 DFADRP CC(C)[C@H](CO)C[NH2+][C@@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000554376655 430635100 /nfs/dbraw/zinc/63/51/00/430635100.db2.gz DIGGZONSWZTHJB-YTQUADARSA-N 2 0 304.478 2.894 20 0 DFADRP C[N@@H+]1CCCC[C@H]1CCC(=O)N1CCC[NH+](C(C)(C)C)CC1 ZINC000554539506 430641531 /nfs/dbraw/zinc/64/15/31/430641531.db2.gz GLCOPGBTXGSTMT-INIZCTEOSA-N 2 0 309.498 2.584 20 0 DFADRP c1ccc(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH2+][C@@H]4CCOC4)[C@@H]3C2)cc1 ZINC000643910778 430641950 /nfs/dbraw/zinc/64/19/50/430641950.db2.gz AHZMTGDJCSGZDK-WJFTUGDTSA-N 2 0 300.446 2.666 20 0 DFADRP Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)[NH2+][C@@H]1CCC[C@H]([NH3+])C1 ZINC000571700859 430646864 /nfs/dbraw/zinc/64/68/64/430646864.db2.gz AQAINRFRPMIKGG-TVYUQYBPSA-N 2 0 318.387 2.983 20 0 DFADRP CC(C)[NH+]1CCN([C@H]2CC[N@@H+]([C@@H]3C=CCCCCC3)C2)CC1 ZINC000555377746 430666987 /nfs/dbraw/zinc/66/69/87/430666987.db2.gz UOWPABCQAGVOJG-MOPGFXCFSA-N 2 0 305.510 2.976 20 0 DFADRP CSc1ccccc1NC(=O)CC[N@@H+]1CC[C@@H]([NH3+])C[C@@H]1C ZINC000572055678 430670303 /nfs/dbraw/zinc/67/03/03/430670303.db2.gz MFUAMECMFUYMQQ-QWHCGFSZSA-N 2 0 307.463 2.549 20 0 DFADRP Cc1cccc(CNc2c[nH+]ccc2N2CC[NH+](C)CC2)c1F ZINC000572232713 430677312 /nfs/dbraw/zinc/67/73/12/430677312.db2.gz CTLKTHJLNUZYEF-UHFFFAOYSA-N 2 0 314.408 2.893 20 0 DFADRP COc1cccc2c1CC[N@H+](CC[C@@H]1CCCC[NH+]1C)CC2 ZINC000373229978 278027931 /nfs/dbraw/zinc/02/79/31/278027931.db2.gz PMGFVGPBLMBHKF-KRWDZBQOSA-N 2 0 302.462 2.970 20 0 DFADRP CCn1c2ccccc2nc1C[NH2+]CC[C@@H]1CCC[N@H+](C)C1 ZINC000556782408 430692100 /nfs/dbraw/zinc/69/21/00/430692100.db2.gz XQNJOIUNDOAXML-HNNXBMFYSA-N 2 0 300.450 2.878 20 0 DFADRP C[C@@H](CN[C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1)[NH+](C)C1CC1 ZINC000274928847 278284249 /nfs/dbraw/zinc/28/42/49/278284249.db2.gz QNICHMBJEQLARC-JENIJYKNSA-N 2 0 315.505 2.969 20 0 DFADRP C[C@@H](C[NH2+][C@H]1C[C@@H](C)[N@H+](C)C[C@H]1C)N1CCc2ccccc21 ZINC000247169296 278287112 /nfs/dbraw/zinc/28/71/12/278287112.db2.gz YKXCVOJUKJMIDS-CBZIJGRNSA-N 2 0 301.478 2.756 20 0 DFADRP CC(C)[N@@H+]1CC[C@@H](C[NH2+]Cc2cn(C)nc2-c2cccs2)C1 ZINC000556938517 430696262 /nfs/dbraw/zinc/69/62/62/430696262.db2.gz CJJWZOJLASXPEN-AWEZNQCLSA-N 2 0 318.490 2.969 20 0 DFADRP C[C@H](O)C[C@H](C[NH2+][C@@H]1C[C@H](C)[N@H+](C)C[C@H]1C)c1ccccc1 ZINC000269043760 278297884 /nfs/dbraw/zinc/29/78/84/278297884.db2.gz XWSMGYWBSCPVSD-WHEVEAIOSA-N 2 0 304.478 2.859 20 0 DFADRP CC[C@H]([NH2+]CCCC[N@@H+]1CCC[C@H]1CO)c1ccccc1OC ZINC000248170998 288038969 /nfs/dbraw/zinc/03/89/69/288038969.db2.gz UTEPIKAEUXUOKU-WMZOPIPTSA-N 2 0 320.477 2.973 20 0 DFADRP CC[NH+](CC)Cc1ccc(C(=O)NCC[N@@H+]2CCCC2(C)C)o1 ZINC000654535534 430726997 /nfs/dbraw/zinc/72/69/97/430726997.db2.gz KGSMYBUSCLDUQI-UHFFFAOYSA-N 2 0 321.465 2.726 20 0 DFADRP CC1(C[NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)CC23CCC3)COC1 ZINC000657772360 430732844 /nfs/dbraw/zinc/73/28/44/430732844.db2.gz MENNGRQDNCNEQY-GOSISDBHSA-N 2 0 314.473 2.915 20 0 DFADRP O=C(CC[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1)Nc1cc(F)cc(F)c1 ZINC000644524082 430742860 /nfs/dbraw/zinc/74/28/60/430742860.db2.gz PRBVLYBVXGKKHT-ZBFHGGJFSA-N 2 0 323.387 2.510 20 0 DFADRP Cn1cc(C[NH2+]CC2CC[NH+](CC3CC3)CC2)c(C(C)(C)C)n1 ZINC000657813547 430742952 /nfs/dbraw/zinc/74/29/52/430742952.db2.gz RIBMYVFSZRHZRO-UHFFFAOYSA-N 2 0 318.509 2.929 20 0 DFADRP O=C(CC[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1)Nc1cc(F)cc(F)c1 ZINC000644524079 430743116 /nfs/dbraw/zinc/74/31/16/430743116.db2.gz PRBVLYBVXGKKHT-GDBMZVCRSA-N 2 0 323.387 2.510 20 0 DFADRP Cc1cc([C@@H](C)[NH2+][C@H]2CCN(C3CC[NH+](C)CC3)C2)cs1 ZINC000651228231 430743335 /nfs/dbraw/zinc/74/33/35/430743335.db2.gz AVVYJOJQABRPKW-ZBFHGGJFSA-N 2 0 307.507 2.876 20 0 DFADRP CC(=O)Nc1ccc(C[NH2+]CC2CC[NH+](CC3CC3)CC2)cc1 ZINC000657812241 430743464 /nfs/dbraw/zinc/74/34/64/430743464.db2.gz PGIDWHQCKAKVCW-UHFFFAOYSA-N 2 0 315.461 2.857 20 0 DFADRP CCOC[C@H](O)C[NH2+]Cc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000644531352 430746723 /nfs/dbraw/zinc/74/67/23/430746723.db2.gz NPXWWTZJCAKULS-LJQANCHMSA-N 2 0 320.477 2.550 20 0 DFADRP CC[NH+]1CCN([C@H](C)C[NH2+][C@H](C)c2cc3cnccc3o2)CC1 ZINC000657835274 430750004 /nfs/dbraw/zinc/75/00/04/430750004.db2.gz FCPFJHSIMSTILX-HUUCEWRRSA-N 2 0 316.449 2.504 20 0 DFADRP COC1([C@H](C)[NH2+]Cc2cccc(OCC[NH+](C)C)c2)CCC1 ZINC000657843505 430750559 /nfs/dbraw/zinc/75/05/59/430750559.db2.gz ZMUGMTRZJHMBKU-HNNXBMFYSA-N 2 0 306.450 2.674 20 0 DFADRP C[C@@H]([NH2+]C[C@H](O)Cc1cccc(Cl)c1)C1CC[NH+](C)CC1 ZINC000644563060 430753954 /nfs/dbraw/zinc/75/39/54/430753954.db2.gz KFEHEMYMSVEJLH-CXAGYDPISA-N 2 0 310.869 2.563 20 0 DFADRP CCc1ccccc1C[NH2+]C[C@H](O)CN(C)Cc1ccccc1 ZINC000644572567 430755965 /nfs/dbraw/zinc/75/59/65/430755965.db2.gz AGADDBHLBNNMBW-FQEVSTJZSA-N 2 0 312.457 2.832 20 0 DFADRP COC1([C@H](C)[NH2+]CCc2ccc(OCC[NH+](C)C)cc2)CCC1 ZINC000657872299 430756229 /nfs/dbraw/zinc/75/62/29/430756229.db2.gz MSMOPPRZKBARLJ-INIZCTEOSA-N 2 0 320.477 2.717 20 0 DFADRP C[C@@H]([NH2+]CCC(=O)Nc1ccccc1F)C(C)(C)C[NH+](C)C ZINC000644574178 430756546 /nfs/dbraw/zinc/75/65/46/430756546.db2.gz LLGPFZCNGVUNKP-CYBMUJFWSA-N 2 0 309.429 2.720 20 0 DFADRP C[C@@H]([NH2+][C@@H](C)CN1CC[NH+](C)CC1)c1cc2ccncc2s1 ZINC000657877068 430758963 /nfs/dbraw/zinc/75/89/63/430758963.db2.gz BORZNTGUOGFZAJ-UONOGXRCSA-N 2 0 318.490 2.583 20 0 DFADRP CC[C@H](Cc1ccc(C(F)(F)F)cc1)[NH2+]C[C@H](O)CN(C)C ZINC000657876034 430759823 /nfs/dbraw/zinc/75/98/23/430759823.db2.gz SZFPNBSCELNGKD-CABCVRRESA-N 2 0 318.383 2.539 20 0 DFADRP CCN1C[C@H]([NH2+]C[C@@H](O)Cc2ccc3ccccc3c2)[C@@H](C)C1 ZINC000644588612 430760507 /nfs/dbraw/zinc/76/05/07/430760507.db2.gz YKNKKMSLCQNWKK-YSSFQJQWSA-N 2 0 312.457 2.673 20 0 DFADRP CC1(C)[C@H]([NH2+]C2CC[NH+](C[C@H]3CCOC3)CC2)[C@@H]2CCC[C@@H]21 ZINC000657890659 430761111 /nfs/dbraw/zinc/76/11/11/430761111.db2.gz LUXLLMAVXIXRRB-NRSFXHEJSA-N 2 0 306.494 2.902 20 0 DFADRP CCOC1CCC([NH2+]C2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)CC1 ZINC000657925079 430769812 /nfs/dbraw/zinc/76/98/12/430769812.db2.gz MFVALELIPBSISB-JDGDGYACSA-N 2 0 324.509 2.692 20 0 DFADRP C[NH+](C)CC1(C[NH2+]CCC(=O)Nc2ccccc2F)CCCC1 ZINC000644622986 430773069 /nfs/dbraw/zinc/77/30/69/430773069.db2.gz UJQZJBUVWFLCJL-UHFFFAOYSA-N 2 0 321.440 2.866 20 0 DFADRP C[NH+]1CCN(c2cc[nH+]cc2N[C@@H]2CCCSCC2)CC1 ZINC000657954908 430774852 /nfs/dbraw/zinc/77/48/52/430774852.db2.gz JMXFPQOSQHWGPQ-CQSZACIVSA-N 2 0 306.479 2.531 20 0 DFADRP C[C@@H](CCN1CC[NH+](C)CC1)[NH2+][C@@H](C)c1cc2cnccc2o1 ZINC000657976991 430778650 /nfs/dbraw/zinc/77/86/50/430778650.db2.gz VEKQUNRLIDICQT-GJZGRUSLSA-N 2 0 316.449 2.504 20 0 DFADRP COC[C@H](CC1CCOCC1)[NH2+]CC1(C[NH+](C)C)CCCC1 ZINC000657973790 430778825 /nfs/dbraw/zinc/77/88/25/430778825.db2.gz INTGQROULPOURI-KRWDZBQOSA-N 2 0 312.498 2.530 20 0 DFADRP CN(C[C@@H](O)C[NH2+][C@H]1C[C@H](c2ccccc2Cl)C1)C1CC1 ZINC000644654954 430780169 /nfs/dbraw/zinc/78/01/69/430780169.db2.gz BZCDFQSSXXQCBQ-YDHLFZDLSA-N 2 0 308.853 2.631 20 0 DFADRP Cc1nc2ccccc2n1CCCCC[N@@H+]1CC[C@@]2(O)C[C@H]2C1 ZINC000661723567 430820275 /nfs/dbraw/zinc/82/02/75/430820275.db2.gz OTGQCSFTTNTOAL-QFBILLFUSA-N 2 0 313.445 2.972 20 0 DFADRP O[C@@H]1CC[N@H+](Cc2ccc(C[NH2+][C@H]3CCC[C@H]3CCF)cc2)C1 ZINC000658134928 430820968 /nfs/dbraw/zinc/82/09/68/430820968.db2.gz CFNAYMITCUVYDN-OTWHNJEPSA-N 2 0 320.452 2.871 20 0 DFADRP CC[C@@H]1CCC[C@H]1[NH2+]Cc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1 ZINC000658136218 430821298 /nfs/dbraw/zinc/82/12/98/430821298.db2.gz CIZLFJYQXHJIGD-CEXWTWQISA-N 2 0 302.462 2.922 20 0 DFADRP CC[C@@H]1CCC[C@@H]1[NH2+]Cc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1 ZINC000658136223 430821540 /nfs/dbraw/zinc/82/15/40/430821540.db2.gz CIZLFJYQXHJIGD-QRVBRYPASA-N 2 0 302.462 2.922 20 0 DFADRP CC1CC[NH+](CCCCNC(=O)[C@@H]2C[C@@H]3CCCC[C@H]3[NH2+]2)CC1 ZINC000262088554 278539349 /nfs/dbraw/zinc/53/93/49/278539349.db2.gz CDAGZPQVRDFXTI-KSZLIROESA-N 2 0 321.509 2.535 20 0 DFADRP OC/C=C/C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000658141743 430823576 /nfs/dbraw/zinc/82/35/76/430823576.db2.gz XVYAXMCPHATPTN-FNMLWVPJSA-N 2 0 300.446 2.568 20 0 DFADRP C[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1 ZINC000658142861 430823661 /nfs/dbraw/zinc/82/36/61/430823661.db2.gz FCAHAWYLZRYZJP-MNEFBYGVSA-N 2 0 302.462 2.922 20 0 DFADRP OC[C@H]1CCC[N@@H+]1CCCC[NH2+][C@H]1CCCc2ccccc2C1 ZINC000648454328 430792348 /nfs/dbraw/zinc/79/23/48/430792348.db2.gz COOCNHGWYNVRKU-VQTJNVASSA-N 2 0 316.489 2.761 20 0 DFADRP OC[C@@H]1CCC[N@@H+]1CCCC[NH2+][C@H]1CCCc2ccccc2C1 ZINC000648454326 430793779 /nfs/dbraw/zinc/79/37/79/430793779.db2.gz COOCNHGWYNVRKU-PMACEKPBSA-N 2 0 316.489 2.761 20 0 DFADRP C[C@@H](CC1CCOCC1)[NH2+]CC1CC[NH+](C2CCOCC2)CC1 ZINC000658068587 430797227 /nfs/dbraw/zinc/79/72/27/430797227.db2.gz XJGCCWHXZDZBAZ-INIZCTEOSA-N 2 0 324.509 2.672 20 0 DFADRP CCC(C)(C)[NH2+][C@H](C)C(=O)NC1CC[NH+](C2CCCC2)CC1 ZINC000356946675 278580279 /nfs/dbraw/zinc/58/02/79/278580279.db2.gz ZXAKKCMNRRUBKP-CQSZACIVSA-N 2 0 309.498 2.676 20 0 DFADRP FCC1(CF)CC([NH2+]CC2CC[NH+](C3CCOCC3)CC2)C1 ZINC000658070781 430798412 /nfs/dbraw/zinc/79/84/12/430798412.db2.gz QGHXXWHXWDCIHW-UHFFFAOYSA-N 2 0 316.436 2.555 20 0 DFADRP COC[C@H](CC[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C)OC ZINC000658084197 430803439 /nfs/dbraw/zinc/80/34/39/430803439.db2.gz IGJKLHURCBXXIC-NEWSRXKRSA-N 2 0 320.477 2.538 20 0 DFADRP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+][C@@H](CO)C2CCC2)CC1 ZINC000658087561 430806030 /nfs/dbraw/zinc/80/60/30/430806030.db2.gz UEDFHLVTZCXLLD-UZLBHIALSA-N 2 0 316.489 2.833 20 0 DFADRP CC(C)[C@@H](C[NH2+]Cc1cccc2c1CCC2)N1CC[NH+](C)CC1 ZINC000651674064 430845471 /nfs/dbraw/zinc/84/54/71/430845471.db2.gz ARWZEFIOAVSTSM-HXUWFJFHSA-N 2 0 315.505 2.537 20 0 DFADRP C[N@@H+]1CC[C@H](N[C@@H]2CC[NH+](C3CCCCC3)C2)[C@H]2CCC[C@H]21 ZINC000658230494 430845672 /nfs/dbraw/zinc/84/56/72/430845672.db2.gz ZEJLJSIFPJYKBF-OQIJWPOYSA-N 2 0 305.510 2.856 20 0 DFADRP Cn1cc(C[C@@H]2CCC[C@@H]2[NH2+]C2CC[NH+](C(C)(C)C)CC2)cn1 ZINC000658236522 430847252 /nfs/dbraw/zinc/84/72/52/430847252.db2.gz SYAHXZNOGQXCKY-WMZOPIPTSA-N 2 0 318.509 2.984 20 0 DFADRP OC[C@H]1CCC[N@@H+]1CCCC[NH2+]Cc1cccc2c1CCC2 ZINC000651714017 430855978 /nfs/dbraw/zinc/85/59/78/430855978.db2.gz MUHDZLXGDCJVAQ-GOSISDBHSA-N 2 0 302.462 2.502 20 0 DFADRP CCc1cccc(C[NH2+]C2CC[NH+](C[C@H]3CCOC3)CC2)c1 ZINC000651719013 430858992 /nfs/dbraw/zinc/85/89/92/430858992.db2.gz GFZQLOTVKNRITM-GOSISDBHSA-N 2 0 302.462 2.840 20 0 DFADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]CCc1noc2ccccc12 ZINC000665232238 430861505 /nfs/dbraw/zinc/86/15/05/430861505.db2.gz JCLCTAGZOXDLRZ-LBPRGKRZSA-N 2 0 310.401 2.883 20 0 DFADRP Nc1cccc(C[NH2+][C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)c1 ZINC000665232196 430862114 /nfs/dbraw/zinc/86/21/14/430862114.db2.gz HUQXLUZGQUDGBF-IEBWSBKVSA-N 2 0 309.413 2.614 20 0 DFADRP C[C@@H]([NH2+]C[C@H]1CCN(c2ccccc2Cl)C1)[C@@H]1CCC[NH2+]1 ZINC000665233266 430863592 /nfs/dbraw/zinc/86/35/92/430863592.db2.gz CTCZWXVLBZWPOU-FMKPAKJESA-N 2 0 307.869 2.896 20 0 DFADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]C[C@H](OC1CCCC1)C(F)(F)F ZINC000665237799 430864550 /nfs/dbraw/zinc/86/45/50/430864550.db2.gz KCAVCOVKBIZKEI-XBFCOCLRSA-N 2 0 308.388 2.854 20 0 DFADRP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]C[C@H](OC1CCCC1)C(F)(F)F ZINC000665237615 430864694 /nfs/dbraw/zinc/86/46/94/430864694.db2.gz FNZGATWEIDKGTJ-YUTCNCBUSA-N 2 0 308.388 2.984 20 0 DFADRP C[C@@H](NCC1([NH3+])CCCC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000665247895 430869210 /nfs/dbraw/zinc/86/92/10/430869210.db2.gz LKFGEAISUVVXQD-SJLPKXTDSA-N 2 0 301.478 2.758 20 0 DFADRP [NH3+]Cc1cc(=O)[nH]c(C[NH2+]C2CCC3(CCCCC3)CC2)n1 ZINC000665292667 430889390 /nfs/dbraw/zinc/88/93/90/430889390.db2.gz GXFOLZNRAJQCPS-UHFFFAOYSA-N 2 0 304.438 2.624 20 0 DFADRP CNC(=O)CC1(C[NH2+]C2CC[NH+](C(C)(C)C)CC2)CCCCC1 ZINC000658306029 430872516 /nfs/dbraw/zinc/87/25/16/430872516.db2.gz MPOLTFQHXIRPBD-UHFFFAOYSA-N 2 0 323.525 2.926 20 0 DFADRP COC[C@H](CC(C)(C)C)[NH2+]CCC[N@@H+]1CCCO[C@H](C)C1 ZINC000651786124 430875204 /nfs/dbraw/zinc/87/52/04/430875204.db2.gz LYHFHAMPFPVOHQ-CVEARBPZSA-N 2 0 300.487 2.528 20 0 DFADRP CO[C@H]1CC[N@H+](Cc2ccc(OCC[NH+](C)C)cc2)CC1(C)C ZINC000648742491 430878260 /nfs/dbraw/zinc/87/82/60/430878260.db2.gz NHMXSZJJIZMGLL-SFHVURJKSA-N 2 0 320.477 2.874 20 0 DFADRP CC[C@H]([NH2+]CC1(CC(=O)NC)CCCCC1)[C@H]1CCCC[NH2+]1 ZINC000665274984 430879161 /nfs/dbraw/zinc/87/91/61/430879161.db2.gz ADTCTFJKOLLRQA-JKSUJKDBSA-N 2 0 309.498 2.583 20 0 DFADRP CC(C)[C@H]([NH3+])CC[NH2+]C1CCN(c2ccc(F)cc2F)CC1 ZINC000665280517 430880951 /nfs/dbraw/zinc/88/09/51/430880951.db2.gz FARLKLGGXNUQIX-MRXNPFEDSA-N 2 0 311.420 2.897 20 0 DFADRP COc1ccc([C@H](C)[C@H](C)[NH2+]CC23CC(C2)C[NH2+]3)cc1OC ZINC000665280030 430881327 /nfs/dbraw/zinc/88/13/27/430881327.db2.gz RJZRFGKHBNFDRD-ZHRYSXCZSA-N 2 0 304.434 2.537 20 0 DFADRP COc1ccc(C[C@H](C)[NH2+]CC[C@@H]([NH3+])C(C)C)c(C)c1OC ZINC000665281511 430881609 /nfs/dbraw/zinc/88/16/09/430881609.db2.gz FLYCEBUPSICPNJ-XJKSGUPXSA-N 2 0 308.466 2.906 20 0 DFADRP COc1cc([C@H](C)[NH2+]CC2CC[NH+](CC3CC3)CC2)ccn1 ZINC000658353919 430883821 /nfs/dbraw/zinc/88/38/21/430883821.db2.gz UDKMWWPIPGWQKN-AWEZNQCLSA-N 2 0 303.450 2.863 20 0 DFADRP COc1ccc(C[C@@H](C)[NH2+]CC2CC[NH+](CC3CC3)CC2)cn1 ZINC000658352067 430883959 /nfs/dbraw/zinc/88/39/59/430883959.db2.gz CMTABEUILGAEQC-OAHLLOKOSA-N 2 0 317.477 2.733 20 0 DFADRP C[NH2+]CCCC(=O)N1CCC([NH2+][C@@H](C)c2ccccc2C)CC1 ZINC000665285790 430884177 /nfs/dbraw/zinc/88/41/77/430884177.db2.gz WYFAWAGCJLMLKG-INIZCTEOSA-N 2 0 317.477 2.636 20 0 DFADRP CC[C@@H]1CCCC[C@@H]1[NH2+]C1CCN(C(=O)CCC[NH2+]C)CC1 ZINC000665287938 430885442 /nfs/dbraw/zinc/88/54/42/430885442.db2.gz YXXFDQPDLONCDW-WBVHZDCISA-N 2 0 309.498 2.535 20 0 DFADRP CC[C@@H]1C[C@@H](C)CC[C@@H]1[NH2+]C1CCN(C(=O)CCC[NH2+]C)CC1 ZINC000665287948 430886194 /nfs/dbraw/zinc/88/61/94/430886194.db2.gz ZEVUXIUDOSITKZ-JZXOWHBKSA-N 2 0 323.525 2.781 20 0 DFADRP O[C@H](C[NH+]1CC[C@@H](C2CCC2)C1)C[N@@H+]1CC[C@H](C2CCC2)C1 ZINC000665288047 430886242 /nfs/dbraw/zinc/88/62/42/430886242.db2.gz BGMNQRDPDOMEGI-REPLKXPHSA-N 2 0 306.494 2.591 20 0 DFADRP C[NH2+]CCCC(=O)N1CCC([NH2+][C@H](C)[C@@H]2CCCC[C@H]2C)CC1 ZINC000665289183 430887156 /nfs/dbraw/zinc/88/71/56/430887156.db2.gz INESQBYFIRASDE-JFIYKMOQSA-N 2 0 323.525 2.781 20 0 DFADRP [NH3+][C@@H]1CCC[C@@H]([NH2+][C@@H]2CCCC[C@H]2NC(=O)c2ccccc2)C1 ZINC000665289759 430887228 /nfs/dbraw/zinc/88/72/28/430887228.db2.gz WPDGSBXYGDIOEE-BRSBDYLESA-N 2 0 315.461 2.587 20 0 DFADRP CC(C)(C)[C@H]1CCC[C@@H]([NH2+]Cc2nc(C[NH3+])cc(=O)[nH]2)CC1 ZINC000665291675 430887449 /nfs/dbraw/zinc/88/74/49/430887449.db2.gz HSEJDJSXFDAXFE-QWHCGFSZSA-N 2 0 306.454 2.726 20 0 DFADRP CC(C)(C)[C@H]1CCC[C@H]([NH2+]Cc2nc(C[NH3+])cc(=O)[nH]2)CC1 ZINC000665291676 430887519 /nfs/dbraw/zinc/88/75/19/430887519.db2.gz HSEJDJSXFDAXFE-STQMWFEESA-N 2 0 306.454 2.726 20 0 DFADRP C[NH2+]CCCC(=O)N1CCC([NH2+][C@H](C2CC2)C2CCCC2)CC1 ZINC000665289650 430887593 /nfs/dbraw/zinc/88/75/93/430887593.db2.gz UFDMCHQLJOUMPK-IBGZPJMESA-N 2 0 321.509 2.535 20 0 DFADRP CC(C)C(=O)N1CCC([NH2+][C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)CC1 ZINC000261698629 278669980 /nfs/dbraw/zinc/66/99/80/278669980.db2.gz JQQWJRDDINMQHZ-RCCFBDPRSA-N 2 0 321.509 2.534 20 0 DFADRP C[C@@H]([NH2+]Cc1nc(C[NH3+])cc(=O)[nH]1)[C@@H](C)c1ccc(Cl)cc1 ZINC000665292484 430888712 /nfs/dbraw/zinc/88/87/12/430888712.db2.gz AVJWMGKCAKMCAG-GHMZBOCLSA-N 2 0 320.824 2.576 20 0 DFADRP C[C@H]1CCCC[N@@H+]1CCCNCc1cnnn1-c1ccccc1 ZINC000651669277 430844154 /nfs/dbraw/zinc/84/41/54/430844154.db2.gz NYSDCCDZMIUROR-INIZCTEOSA-N 2 0 313.449 2.621 20 0 DFADRP Cc1nn(-c2cc[nH+]cc2)cc1CNCCC[N@@H+](C)CC(C)C ZINC000651866034 430898149 /nfs/dbraw/zinc/89/81/49/430898149.db2.gz RFDCFNJCQLTDEO-UHFFFAOYSA-N 2 0 315.465 2.643 20 0 DFADRP CC(C)C[N@H+](C)CCC[NH2+][C@@H](C)CC(=O)Nc1ccccc1 ZINC000651866052 430898679 /nfs/dbraw/zinc/89/86/79/430898679.db2.gz RYZOPEPHGPYIFM-INIZCTEOSA-N 2 0 305.466 2.971 20 0 DFADRP CC(C)C[N@H+](C)CCC[NH2+]Cc1ccc(-n2cccn2)cc1 ZINC000651866763 430898703 /nfs/dbraw/zinc/89/87/03/430898703.db2.gz QJPDLGVJUCSRLP-UHFFFAOYSA-N 2 0 300.450 2.940 20 0 DFADRP C[C@@H](C[NH+]1CCC(N2CCC[C@@H]2C(N)=O)CC1)C1CCCCC1 ZINC000645100403 430901893 /nfs/dbraw/zinc/90/18/93/430901893.db2.gz CUQZGKXENDLSCV-MAUKXSAKSA-N 2 0 321.509 2.617 20 0 DFADRP C[C@@H]1CC[N@H+](CC(=O)Nc2ccc3c(c2)CC[C@H]3[NH+](C)C)C1 ZINC000655130784 430905517 /nfs/dbraw/zinc/90/55/17/430905517.db2.gz YOEJJDQNPAXOGX-CXAGYDPISA-N 2 0 301.434 2.516 20 0 DFADRP CC(C)C1CCC([NH+]2CCN(C[C@@]3(C)CC[NH2+]C3)CC2)CC1 ZINC000261687669 278709508 /nfs/dbraw/zinc/70/95/08/278709508.db2.gz ASMQLNJZXQEPNH-ACBHZAAOSA-N 2 0 307.526 2.818 20 0 DFADRP c1cc(N2CCC([NH2+][C@@H](C3CC3)C3CCOCC3)CC2)cc[nH+]1 ZINC000651930193 430915648 /nfs/dbraw/zinc/91/56/48/430915648.db2.gz KZVWTESGKZBIOU-IBGZPJMESA-N 2 0 315.461 2.845 20 0 DFADRP C[C@@H]([NH2+]Cc1ccc(OCC[NH+](C)C)cc1)c1cc[nH]c(=O)c1 ZINC000645191383 430929535 /nfs/dbraw/zinc/92/95/35/430929535.db2.gz XQVPBJZWAXSDBG-CQSZACIVSA-N 2 0 315.417 2.578 20 0 DFADRP CC(C)[NH+]1CCN(CCC[N@@H+]2CCC[C@@H](C3CCC3)C2)CC1 ZINC000662041520 430933644 /nfs/dbraw/zinc/93/36/44/430933644.db2.gz BRMBIWARYDGDDG-LJQANCHMSA-N 2 0 307.526 2.915 20 0 DFADRP C[C@@H]1C[NH+](CC2CC[NH+](C[C@H]3CCSC3)CC2)C[C@@H](C)O1 ZINC000365869928 278744582 /nfs/dbraw/zinc/74/45/82/278744582.db2.gz DDJIADLQMYUFAX-BFYDXBDKSA-N 2 0 312.523 2.561 20 0 DFADRP C[C@@H]1C[NH+](CCCC[NH2+]Cc2c[nH]nc2C(C)(C)C)C[C@@H](C)O1 ZINC000067452527 278746878 /nfs/dbraw/zinc/74/68/78/278746878.db2.gz RTDHNSZXFWKYHV-HUUCEWRRSA-N 2 0 322.497 2.686 20 0 DFADRP FC1(F)Oc2ccc(CC[NH2+][C@@H]3CC[N@@H+]4CCC[C@H]4C3)cc2O1 ZINC000652038173 430942371 /nfs/dbraw/zinc/94/23/71/430942371.db2.gz LRMJWILURXFXIJ-KGLIPLIRSA-N 2 0 324.371 2.767 20 0 DFADRP C[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+]CC[C@@]2(O)CCCOC2)CC1 ZINC000652046213 430943919 /nfs/dbraw/zinc/94/39/19/430943919.db2.gz OWYYFDRFNXPCTK-QRQLOZEOSA-N 2 0 324.509 2.551 20 0 DFADRP CC(C)CC1([NH2+]CC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)CC1 ZINC000662072367 430947986 /nfs/dbraw/zinc/94/79/86/430947986.db2.gz RCVXWDBXRLFLID-KRWDZBQOSA-N 2 0 317.477 2.574 20 0 DFADRP C[C@H](CN1CCC([N@@H+]2CC[C@H](O)C2)CC1)c1cccc(Cl)c1 ZINC000662151257 430980882 /nfs/dbraw/zinc/98/08/82/430980882.db2.gz HBXBQQUQBIAEIB-KDOFPFPSSA-N 2 0 322.880 2.975 20 0 DFADRP O[C@H]1CC[N@@H+](C2CC[NH+](CC[C@@H]3CCc4ccccc43)CC2)C1 ZINC000662148399 430980930 /nfs/dbraw/zinc/98/09/30/430980930.db2.gz KAPZEGGXCMJYHF-HKUYNNGSSA-N 2 0 314.473 2.638 20 0 DFADRP O[C@H]1CC[N@@H+](C2CCN(CCCc3ccccc3Cl)CC2)C1 ZINC000662152459 430981442 /nfs/dbraw/zinc/98/14/42/430981442.db2.gz FLHRUILOYINHRK-KRWDZBQOSA-N 2 0 322.880 2.804 20 0 DFADRP O[C@@H]1CC[N@@H+](C2CCN([C@H]3CCCc4ccc(F)cc43)CC2)C1 ZINC000662154546 430981563 /nfs/dbraw/zinc/98/15/63/430981563.db2.gz XTJMIXYIIOMDKU-MJGOQNOKSA-N 2 0 318.436 2.734 20 0 DFADRP CC[C@@H]1CCC[C@H](C)[N@@H+]1CC(=O)NC1CC[NH+](C(C)C)CC1 ZINC000662157651 430982654 /nfs/dbraw/zinc/98/26/54/430982654.db2.gz MKEPIKFLCXLGBH-DOTOQJQBSA-N 2 0 309.498 2.628 20 0 DFADRP CC[N@H+](CCCNC(=O)N[C@@H]1CCC[C@H]([NH3+])C1)C1CCCCC1 ZINC000652216136 430989489 /nfs/dbraw/zinc/98/94/89/430989489.db2.gz JVMPLSUYHIGVCC-JKSUJKDBSA-N 2 0 324.513 2.600 20 0 DFADRP [NH3+]C1(C(=O)NC2CC[NH+](C3CCCCC3)CC2)CC2(CCC2)C1 ZINC000659251452 430998592 /nfs/dbraw/zinc/99/85/92/430998592.db2.gz GFLKQVVNXCAFCR-UHFFFAOYSA-N 2 0 319.493 2.561 20 0 DFADRP CCC[NH+]1CCC(CNC(=O)[C@H](C(C)C)[NH+]2CCCCC2)CC1 ZINC000354763385 278802592 /nfs/dbraw/zinc/80/25/92/278802592.db2.gz QACHARQOSCUYFV-SFHVURJKSA-N 2 0 323.525 2.735 20 0 DFADRP CCCN(C(=O)C[C@H](c1ccccc1)[NH+](C)C)[C@H]1CC[N@H+](C)C1 ZINC000648996659 430963284 /nfs/dbraw/zinc/96/32/84/430963284.db2.gz XLRDWZBSOCKJRE-ZWKOTPCHSA-N 2 0 317.477 2.622 20 0 DFADRP COc1ccccc1[C@@H]1CCCC[N@@H+]1C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662258506 431019780 /nfs/dbraw/zinc/01/97/80/431019780.db2.gz VOALQPCFQNFXJG-RDJZCZTQSA-N 2 0 316.445 2.743 20 0 DFADRP CC[C@@H]1CN2CCCC[C@@H]2C[N@@H+]1Cc1cccc2c1CC[NH2+]C2 ZINC000662266184 431021384 /nfs/dbraw/zinc/02/13/84/431021384.db2.gz YSQCWHMPZRUSES-RTBURBONSA-N 2 0 313.489 2.781 20 0 DFADRP COc1cccc(SCC[N@@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)c1 ZINC000662265191 431021735 /nfs/dbraw/zinc/02/17/35/431021735.db2.gz GIEXBMFOXASPQL-JQFCIGGWSA-N 2 0 306.475 2.847 20 0 DFADRP Cc1cnn([C@@H]2CCC[N@H+](Cc3cccc4c3CC[NH2+]C4)C2)c1 ZINC000662262421 431021834 /nfs/dbraw/zinc/02/18/34/431021834.db2.gz FKKBORCUULJXDD-GOSISDBHSA-N 2 0 310.445 2.674 20 0 DFADRP CCc1nc(C)c([C@@H](C)[N@H+](C)C[C@H]2CCC3(C[NH2+]C3)O2)s1 ZINC000662262042 431022362 /nfs/dbraw/zinc/02/23/62/431022362.db2.gz DATFCFLYKRJOHE-CHWSQXEVSA-N 2 0 309.479 2.528 20 0 DFADRP [NH3+][C@@H]1CCC[C@@H]2CN(Cc3cc(F)ccc3OC(F)F)C[C@H]21 ZINC000662264532 431023012 /nfs/dbraw/zinc/02/30/12/431023012.db2.gz DQQMJUBIRGAZDP-LERXQTSPSA-N 2 0 314.351 2.986 20 0 DFADRP COc1ccc(-c2cc(C[N@@H+]3CC[C@H]([C@@H](C)[NH3+])C3)on2)cc1 ZINC000662267252 431024753 /nfs/dbraw/zinc/02/47/53/431024753.db2.gz TUTRMEXGTFXAOJ-OCCSQVGLSA-N 2 0 301.390 2.519 20 0 DFADRP c1ccc(C[C@@H]2COCC[N@@H+]2Cc2ccc3c(c2)C[NH2+]CC3)cc1 ZINC000652337132 431025027 /nfs/dbraw/zinc/02/50/27/431025027.db2.gz MLBAKSLMXXUMFE-OAQYLSRUSA-N 2 0 322.452 2.776 20 0 DFADRP CC(C)[N@H+](C)CC1CC[NH+](Cc2ccc3c(c2)C[NH2+]CC3)CC1 ZINC000652338910 431025674 /nfs/dbraw/zinc/02/56/74/431025674.db2.gz MAEYTZAPETWGLA-UHFFFAOYSA-N 3 0 315.505 2.885 20 0 DFADRP Cc1ccc(NC(=O)[C@@H](C)N2C[C@@H]3CCC[C@]3(C[NH3+])C2)cc1F ZINC000652351400 431027484 /nfs/dbraw/zinc/02/74/84/431027484.db2.gz VXEVLACFIFEVKW-GLJUWKHASA-N 2 0 319.424 2.522 20 0 DFADRP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCC[N@H+](CCSc3ccccc3)C2)C1 ZINC000652347978 431028632 /nfs/dbraw/zinc/02/86/32/431028632.db2.gz QOTXLPNNRAXFMI-NUJGCVRESA-N 2 0 320.502 2.997 20 0 DFADRP CC1CC[NH+](Cc2ccc(NC(=O)[C@@H]3[NH2+]CC3(C)C)cc2)CC1 ZINC000645543954 431029024 /nfs/dbraw/zinc/02/90/24/431029024.db2.gz OKCHOIXTJKXPAP-KRWDZBQOSA-N 2 0 315.461 2.855 20 0 DFADRP COc1ccc(-c2cc(C[N@@H+]3CCC[C@H](CC[NH3+])C3)on2)cc1 ZINC000662273699 431029471 /nfs/dbraw/zinc/02/94/71/431029471.db2.gz YPMOJHASAINMIM-CQSZACIVSA-N 2 0 315.417 2.911 20 0 DFADRP CC1(C)C[NH2+]CC[C@@H]1[NH2+]CCc1ccc2c(c1)OC(F)(F)O2 ZINC000662276867 431029674 /nfs/dbraw/zinc/02/96/74/431029674.db2.gz MENVPCXPVLDABY-AWEZNQCLSA-N 2 0 312.360 2.528 20 0 DFADRP C[C@@H]1CCC[N@H+](CCOCCOc2ccccc2)[C@@H]1CC[NH3+] ZINC000652354439 431030735 /nfs/dbraw/zinc/03/07/35/431030735.db2.gz YRDDRJKXJVQBLN-SJLPKXTDSA-N 2 0 306.450 2.531 20 0 DFADRP c1ccc(C[C@@H]2CCCC[C@@H]2[NH2+]C[C@H]2CCC3(C[NH2+]C3)O2)cc1 ZINC000662283498 431033274 /nfs/dbraw/zinc/03/32/74/431033274.db2.gz UEESQYOLKSTSSU-OTWHNJEPSA-N 2 0 314.473 2.899 20 0 DFADRP C(c1nc(C2CCCC2)no1)[N@@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662291826 431034240 /nfs/dbraw/zinc/03/42/40/431034240.db2.gz ACHRGYHKMWKWLT-MRXNPFEDSA-N 2 0 318.465 2.939 20 0 DFADRP c1cc(C[N@@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)c2c(c1)C[NH2+]CC2 ZINC000662292332 431035195 /nfs/dbraw/zinc/03/51/95/431035195.db2.gz DQLPLHABVHUIRQ-GOSISDBHSA-N 3 0 313.489 2.544 20 0 DFADRP CO[C@H](C[N@@H+]1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1)C1CCCCC1 ZINC000662286182 431035988 /nfs/dbraw/zinc/03/59/88/431035988.db2.gz PJQHGVBJIUVONS-CADBVGFASA-N 2 0 324.509 2.800 20 0 DFADRP CC(C)N(C(=O)[C@H](C)[NH+]1CCC([C@@H]2CCC[NH2+]C2)CC1)C(C)C ZINC000662291099 431036561 /nfs/dbraw/zinc/03/65/61/431036561.db2.gz PFCMPMQCQUTCCK-FUHWJXTLSA-N 2 0 323.525 2.732 20 0 DFADRP Cc1ccccc1NC(=O)C[N@@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662295320 431037686 /nfs/dbraw/zinc/03/76/86/431037686.db2.gz QAKXEEQQWJUVPV-KRWDZBQOSA-N 2 0 315.461 2.645 20 0 DFADRP Cc1ccc(NC(=O)C[N@@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)cc1 ZINC000662296379 431037864 /nfs/dbraw/zinc/03/78/64/431037864.db2.gz ZTDQQYUAFRVTEA-QGZVFWFLSA-N 2 0 315.461 2.645 20 0 DFADRP CC1CCC(N(C)C(=O)C[N@@H+]2CCC[C@@H](C)[C@H]2CCC[NH3+])CC1 ZINC000662312794 431041518 /nfs/dbraw/zinc/04/15/18/431041518.db2.gz FEMGOJGFXJFKRV-GPQLOAJWSA-N 2 0 323.525 2.863 20 0 DFADRP Cc1ccc(NC(=O)C[N@H+]2CCC[C@@H](C)[C@H]2CCC[NH3+])cc1F ZINC000662313679 431043399 /nfs/dbraw/zinc/04/33/99/431043399.db2.gz VSIRWHBRMJVKNR-RHSMWYFYSA-N 2 0 321.440 2.912 20 0 DFADRP CC[C@@H]([NH2+]C)C(=O)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000662343045 431054254 /nfs/dbraw/zinc/05/42/54/431054254.db2.gz OAKDETMDZRQUJD-CVEARBPZSA-N 2 0 323.868 2.591 20 0 DFADRP CC[NH+](CC)CCCNC(=O)C1CC[NH+](CC2=CCCC2)CC1 ZINC000645777411 431070220 /nfs/dbraw/zinc/07/02/20/431070220.db2.gz QDVRBHPZCMKEOL-UHFFFAOYSA-N 2 0 321.509 2.657 20 0 DFADRP C[NH+](C)C[C@H](NC(=O)C[C@H]1[NH2+]Cc2ccccc21)c1ccccc1 ZINC000662356148 431057822 /nfs/dbraw/zinc/05/78/22/431057822.db2.gz NCHXPQHCRGYXOS-MOPGFXCFSA-N 2 0 323.440 2.640 20 0 DFADRP C[N@H+](CCCNC(=O)c1cccc2c1C[NH2+]C2)Cc1ccccc1 ZINC000662355090 431057845 /nfs/dbraw/zinc/05/78/45/431057845.db2.gz DNVGHNIBVQEVAJ-UHFFFAOYSA-N 2 0 323.440 2.542 20 0 DFADRP CC[NH+](CC)CCCCNC(=O)[C@H]([NH3+])c1cccc(Cl)c1 ZINC000649294926 431058183 /nfs/dbraw/zinc/05/81/83/431058183.db2.gz VKRZFACWXZLZMM-OAHLLOKOSA-N 2 0 311.857 2.578 20 0 DFADRP [NH3+]C1CCC(C(=O)Nc2ccc(CC[NH+]3CCCC3)cc2)CC1 ZINC000649305848 431062820 /nfs/dbraw/zinc/06/28/20/431062820.db2.gz GYGBQDPIQFMHKA-UHFFFAOYSA-N 2 0 315.461 2.781 20 0 DFADRP CC(C)([NH3+])CCC(=O)NC[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000649308949 431063289 /nfs/dbraw/zinc/06/32/89/431063289.db2.gz JJIBJVNGBVRRPK-CQSZACIVSA-N 2 0 323.506 2.594 20 0 DFADRP CCOc1ccc([C@@H]2CCC[N@@H+]2C[C@H]2CCC3(C[NH2+]C3)O2)cc1 ZINC000662248495 431012827 /nfs/dbraw/zinc/01/28/27/431012827.db2.gz DGUGUUDIMMSWBB-MSOLQXFVSA-N 2 0 316.445 2.743 20 0 DFADRP CC1CC[NH+](Cc2ccc(NC(=O)CC[NH2+]C3CC3)cc2)CC1 ZINC000655444438 431012973 /nfs/dbraw/zinc/01/29/73/431012973.db2.gz WPVBVMQYOWCRGR-UHFFFAOYSA-N 2 0 315.461 2.999 20 0 DFADRP C[C@H]([NH3+])c1ccc(CNC(=O)C[C@H]2[NH2+]Cc3ccccc32)cc1 ZINC000659292133 431014665 /nfs/dbraw/zinc/01/46/65/431014665.db2.gz OMRMRCGUPXPOTE-SCLBCKFNSA-N 2 0 309.413 2.557 20 0 DFADRP C[N@@H+](Cc1cccc(C(F)(F)F)c1)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662253913 431014964 /nfs/dbraw/zinc/01/49/64/431014964.db2.gz YODODARVNCUMHC-CQSZACIVSA-N 2 0 314.351 2.658 20 0 DFADRP CC(C)[C@@H]([NH3+])CC(=O)NCc1ccccc1C[N@H+](C)C(C)C ZINC000645494388 431016118 /nfs/dbraw/zinc/01/61/18/431016118.db2.gz GYPZEVAIAQLBLV-KRWDZBQOSA-N 2 0 305.466 2.516 20 0 DFADRP Cc1ccc(C(C)(C)C[N@H+](C)C[C@H]2CCC3(C[NH2+]C3)O2)cc1 ZINC000662255956 431016171 /nfs/dbraw/zinc/01/61/71/431016171.db2.gz GSDPYRWPYOAOLM-QGZVFWFLSA-N 2 0 302.462 2.725 20 0 DFADRP C[C@@H](O)C[N@H+](Cc1ccccc1)Cc1cccc2c1CC[NH2+]C2 ZINC000662251164 431016757 /nfs/dbraw/zinc/01/67/57/431016757.db2.gz AGJWYIWVOCKEES-MRXNPFEDSA-N 2 0 310.441 2.715 20 0 DFADRP C(OC1CC[NH+](C[C@H]2CCC3(C[NH2+]C3)O2)CC1)C1CCCCC1 ZINC000662254394 431017083 /nfs/dbraw/zinc/01/70/83/431017083.db2.gz PXPLGYSIPMHZCW-GOSISDBHSA-N 2 0 322.493 2.569 20 0 DFADRP Cc1ccc(C(C)(C)C[N@H+](C)C[C@@H]2CCC3(C[NH2+]C3)O2)cc1 ZINC000662255954 431017228 /nfs/dbraw/zinc/01/72/28/431017228.db2.gz GSDPYRWPYOAOLM-KRWDZBQOSA-N 2 0 302.462 2.725 20 0 DFADRP C[C@H]1CCC[N@H+](Cc2ccc(NC(=O)[C@H]3[NH2+]CC3(C)C)cc2)C1 ZINC000645502747 431018662 /nfs/dbraw/zinc/01/86/62/431018662.db2.gz MJOJCHHPMYZOOJ-WMLDXEAASA-N 2 0 315.461 2.855 20 0 DFADRP CCCC[N@@H+](Cc1ccccc1F)C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662257400 431019457 /nfs/dbraw/zinc/01/94/57/431019457.db2.gz NTEZPIBYQGCSJC-INIZCTEOSA-N 2 0 306.425 2.949 20 0 DFADRP CCc1cccc(C[NH2+]C[C@@H](O)CN(C)Cc2ccccc2)c1 ZINC000649487915 431117214 /nfs/dbraw/zinc/11/72/14/431117214.db2.gz VATMWONYGYOKAW-HXUWFJFHSA-N 2 0 312.457 2.832 20 0 DFADRP C[C@@H]([NH2+]C(C)(C)CNC(=O)CC1([NH3+])CCC1)c1ccccc1 ZINC000645927534 431117686 /nfs/dbraw/zinc/11/76/86/431117686.db2.gz QOQXOLUIMUJMBU-CQSZACIVSA-N 2 0 303.450 2.504 20 0 DFADRP C[N@@H+]1CCC[C@@H]1[C@@H]1CCCN1C(=O)CC[C@@H]([NH3+])c1ccccc1 ZINC000645941454 431122102 /nfs/dbraw/zinc/12/21/02/431122102.db2.gz NDGMSRPRJOXKII-KURKYZTESA-N 2 0 315.461 2.552 20 0 DFADRP C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)c2cccc3c2C[NH2+]C3)C1 ZINC000662401813 431074658 /nfs/dbraw/zinc/07/46/58/431074658.db2.gz BMDUGPFNEBRMQU-CQSZACIVSA-N 2 0 315.461 2.530 20 0 DFADRP CC[NH+](CC)CCn1ccc2cc(NC(=O)[C@H](C)[NH2+]C)ccc21 ZINC000662429791 431079418 /nfs/dbraw/zinc/07/94/18/431079418.db2.gz KLPWKYWERYTTPX-AWEZNQCLSA-N 2 0 316.449 2.530 20 0 DFADRP C[N@@H+]1CCC[C@H](N2CC[NH+](CCc3ccc(Cl)cc3)CC2)C1 ZINC000649382131 431083799 /nfs/dbraw/zinc/08/37/99/431083799.db2.gz MWFYXIPMGBPCMZ-SFHVURJKSA-N 2 0 321.896 2.594 20 0 DFADRP C[N@@H+]1CCC[C@H](N2CC[NH+](CC/C=C\c3ccccc3)CC2)C1 ZINC000649382195 431084119 /nfs/dbraw/zinc/08/41/19/431084119.db2.gz TWTMDGALMOUZKM-KYRNDMNFSA-N 2 0 313.489 2.802 20 0 DFADRP CC[C@@H]([NH2+]C)C(=O)NCC1([NH2+][C@@H](C)c2ccccc2)CCCC1 ZINC000662452016 431085826 /nfs/dbraw/zinc/08/58/26/431085826.db2.gz OKKOCMDSUYSIKR-DOTOQJQBSA-N 2 0 317.477 2.764 20 0 DFADRP CC[C@H](NC1CC[NH+]([C@@H]2CCOC2)CC1)c1nc(C)cs1 ZINC000655712438 431093186 /nfs/dbraw/zinc/09/31/86/431093186.db2.gz NOKMRWIBCCATRB-CABCVRRESA-N 2 0 309.479 2.746 20 0 DFADRP Cn1c2ccccc2nc1CC[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000649415223 431095688 /nfs/dbraw/zinc/09/56/88/431095688.db2.gz QCMPHBPFYKBXOR-JKSUJKDBSA-N 2 0 312.461 2.580 20 0 DFADRP COc1c(C)cnc(C[N@@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)c1C ZINC000649417996 431095848 /nfs/dbraw/zinc/09/58/48/431095848.db2.gz TXRCBPOYIXRXEL-SJORKVTESA-N 2 0 317.477 2.919 20 0 DFADRP Cc1cc2c(c(C)c1)[C@@H]([NH2+]C[C@H](C)N1CC[NH+](C)CC1)CC2 ZINC000655716936 431096254 /nfs/dbraw/zinc/09/62/54/431096254.db2.gz QLDVNWFIHDIZGO-WMZOPIPTSA-N 2 0 301.478 2.516 20 0 DFADRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H]2CC[C@H](C)SC2)[C@H](C)C1 ZINC000655714861 431096796 /nfs/dbraw/zinc/09/67/96/431096796.db2.gz FNVSYYKMVVRRHD-TWMKSMIVSA-N 2 0 314.539 2.997 20 0 DFADRP CC[C@H]([NH2+]C)C(=O)N(CC)[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000662502197 431098500 /nfs/dbraw/zinc/09/85/00/431098500.db2.gz JQHISQILVNJGRO-NXHRZFHOSA-N 2 0 317.477 2.668 20 0 DFADRP C[C@@H](C[N@H+](C)Cc1ccccc1)NC(=O)c1cccc2c1C[NH2+]C2 ZINC000662512318 431103035 /nfs/dbraw/zinc/10/30/35/431103035.db2.gz OMSHDXQAPPILHZ-HNNXBMFYSA-N 2 0 323.440 2.540 20 0 DFADRP C[C@@H]1C[N@@H+](CCCC[NH2+][C@@H]2CC[C@H](C)SC2)C[C@H](C)O1 ZINC000655729142 431103603 /nfs/dbraw/zinc/10/36/03/431103603.db2.gz GQQVRQYPRCYLFF-XUWVNRHRSA-N 2 0 300.512 2.750 20 0 DFADRP CN(CC[N@H+](C)C[C@@H]1CCc2nccn2C1)Cc1ccccc1 ZINC000649460631 431108152 /nfs/dbraw/zinc/10/81/52/431108152.db2.gz DMTTYYPCKYREBA-SFHVURJKSA-N 2 0 312.461 2.509 20 0 DFADRP C[C@@H]([NH2+]C1(CNC(=O)CC(C)(C)[NH3+])CCCC1)c1ccccc1 ZINC000645958870 431128576 /nfs/dbraw/zinc/12/85/76/431128576.db2.gz BEFMAQTVRRMODC-OAHLLOKOSA-N 2 0 317.477 2.894 20 0 DFADRP [NH3+][C@@H](CC1CCCCC1)C(=O)N1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662596937 431128848 /nfs/dbraw/zinc/12/88/48/431128848.db2.gz UEOKULBLAHQPEB-ROUUACIJSA-N 2 0 321.509 2.522 20 0 DFADRP CC[N@H+](C)[C@@H](C(=O)NCC1(C)CC[NH+](C)CC1)c1ccccc1 ZINC000272569488 279042622 /nfs/dbraw/zinc/04/26/22/279042622.db2.gz VPEUZVCFFQBSDV-QGZVFWFLSA-N 2 0 317.477 2.528 20 0 DFADRP CC[NH+](CC)CCC[C@H](C)NC(=O)C[C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000236858252 279101086 /nfs/dbraw/zinc/10/10/86/279101086.db2.gz SQVRXUOGTGTLMK-YESZJQIVSA-N 2 0 311.514 2.639 20 0 DFADRP CC[NH+](CC)CCO[C@@H]1CC[N@H+](CC2(OC)CCCCC2)C1 ZINC000361571894 279110017 /nfs/dbraw/zinc/11/00/17/279110017.db2.gz ORKYSLBGUDUBDE-QGZVFWFLSA-N 2 0 312.498 2.768 20 0 DFADRP C[C@H](C[NH2+][C@H]1CCCCc2ccccc21)CN1CC[NH+](C)CC1 ZINC000121018622 279352225 /nfs/dbraw/zinc/35/22/25/279352225.db2.gz LFVSFZMOFARDSD-XLIONFOSSA-N 2 0 315.505 2.927 20 0 DFADRP C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)[C@H]([NH3+])CC1CCCCC1 ZINC000662695236 431164214 /nfs/dbraw/zinc/16/42/14/431164214.db2.gz XYWMEQRMTYNMIL-DOTOQJQBSA-N 2 0 309.498 2.521 20 0 DFADRP C[C@H](C[NH+]1CCC(C)CC1)NC(=O)CC1(C[NH3+])CCCCC1 ZINC000662693669 431164442 /nfs/dbraw/zinc/16/44/42/431164442.db2.gz KRVLLDUNVUICJN-MRXNPFEDSA-N 2 0 309.498 2.522 20 0 DFADRP CCc1nocc1C[N@@H+]1CC[C@H](CNc2cc(C)cc[nH+]2)C1 ZINC000646071212 431169730 /nfs/dbraw/zinc/16/97/30/431169730.db2.gz NBIRUWSUSDNMQF-CQSZACIVSA-N 2 0 300.406 2.874 20 0 DFADRP Cc1cncc(CC[NH2+][C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)n1 ZINC000649583684 431174161 /nfs/dbraw/zinc/17/41/61/431174161.db2.gz WAZDFJOYVOEUMC-JKSUJKDBSA-N 2 0 302.466 2.570 20 0 DFADRP CC[NH+](CC)[C@@H](C(=O)NCC[C@@H]([NH3+])C(C)C)c1ccccc1 ZINC000662727981 431175449 /nfs/dbraw/zinc/17/54/49/431175449.db2.gz CWCFFIDFTPMXRH-IAGOWNOFSA-N 2 0 305.466 2.559 20 0 DFADRP CC[C@H](CC(F)F)C[N@H+](C)CC1CC[NH+](C[C@@H](C)O)CC1 ZINC000659892140 431177049 /nfs/dbraw/zinc/17/70/49/431177049.db2.gz RWZBIDSDCBJWKE-ZIAGYGMSSA-N 2 0 306.441 2.692 20 0 DFADRP CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)C[C@@H]1[NH2+]Cc2ccccc21 ZINC000662745333 431184498 /nfs/dbraw/zinc/18/44/98/431184498.db2.gz LYWSZXABKNICOU-WMZOPIPTSA-N 2 0 315.461 2.554 20 0 DFADRP CN(C)C1(C(=O)Nc2cccc(C[NH+]3CCCCC3)c2)CC1 ZINC000666301213 431185177 /nfs/dbraw/zinc/18/51/77/431185177.db2.gz IJFQOVJLZDHFSX-UHFFFAOYSA-N 2 0 301.434 2.705 20 0 DFADRP C[NH+]1CCC2(CC1)C[N@H+](CC/C=C\c1ccccc1)CCO2 ZINC000646106677 431187211 /nfs/dbraw/zinc/18/72/11/431187211.db2.gz LETRNAVLNRHAKX-UITAMQMPSA-N 2 0 300.446 2.887 20 0 DFADRP Cc1ccccc1C[C@@H]1CCC[NH+]1C[C@H](O)C[N@@H+](C)C(C)C ZINC000659931527 431195188 /nfs/dbraw/zinc/19/51/88/431195188.db2.gz OWKMXPJUDXRTTO-RBUKOAKNSA-N 2 0 304.478 2.703 20 0 DFADRP CC(C)[C@H]([NH3+])CC(=O)NC1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC000646014359 431147914 /nfs/dbraw/zinc/14/79/14/431147914.db2.gz CKFUGWYLNHLWQZ-CRAIPNDOSA-N 2 0 317.477 2.702 20 0 DFADRP C[NH+](C)[C@H]1C[C@@H](C[NH2+][C@H]2CN(Cc3ccccc3)C(C)(C)C2)C1 ZINC000655802510 431153457 /nfs/dbraw/zinc/15/34/57/431153457.db2.gz DPFKEYMGELPQEP-QRVBRYPASA-N 2 0 315.505 2.969 20 0 DFADRP C[C@H]1CC[N@H+](Cc2ccccc2)CCN1C[C@H]1CCC[NH+]1C ZINC000649547682 431155396 /nfs/dbraw/zinc/15/53/96/431155396.db2.gz ZOVBPKSONBAINS-PKOBYXMFSA-N 2 0 301.478 2.677 20 0 DFADRP CC[NH+](CC)Cc1ccccc1CNC(=O)[C@@H]1[NH2+]CCC1(C)C ZINC000662669028 431156798 /nfs/dbraw/zinc/15/67/98/431156798.db2.gz NASFUNQOKSBNMH-KRWDZBQOSA-N 2 0 317.477 2.533 20 0 DFADRP CCO[C@@H]1C[C@@H]([NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)[C@@H]1Oc1ccccc1 ZINC000655805752 431157312 /nfs/dbraw/zinc/15/73/12/431157312.db2.gz RXYUISOKQOFNTG-CGHHPOIWSA-N 2 0 318.461 2.541 20 0 DFADRP C[C@H]([NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000655805798 431157610 /nfs/dbraw/zinc/15/76/10/431157610.db2.gz SFINXLLBJIGEBD-FRYIKTPZSA-N 3 0 315.505 2.827 20 0 DFADRP C[C@@H]1C[C@H](N(C)C(=O)CCCC[NH3+])CC[N@@H+]1Cc1ccccc1 ZINC000646046041 431158218 /nfs/dbraw/zinc/15/82/18/431158218.db2.gz AKZZPWPNDGQBTM-SJLPKXTDSA-N 2 0 317.477 2.627 20 0 DFADRP C[C@@H]([NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000655805801 431158362 /nfs/dbraw/zinc/15/83/62/431158362.db2.gz SFINXLLBJIGEBD-LMCOJAPRSA-N 3 0 315.505 2.827 20 0 DFADRP C[C@H]1CN(C[C@@H]2CCC[N@@H+]2C)CC[NH+](Cc2ccccc2)C1 ZINC000649622795 431201032 /nfs/dbraw/zinc/20/10/32/431201032.db2.gz UWYKVESXIKDOEZ-MJGOQNOKSA-N 2 0 301.478 2.535 20 0 DFADRP C[NH+](C)Cc1cccc(NC(=O)c2cc3c(s2)CC[NH2+]C3)c1 ZINC000662682495 431159919 /nfs/dbraw/zinc/15/99/19/431159919.db2.gz IGZFSMRCWZDJSM-UHFFFAOYSA-N 2 0 315.442 2.708 20 0 DFADRP C[NH+](C)[C@H](CNC(=O)CC[C@H]1CCC[NH2+]1)c1ccc(Cl)cc1 ZINC000646138622 431206226 /nfs/dbraw/zinc/20/62/26/431206226.db2.gz OEHYSTQWPLVOMK-HZPDHXFCSA-N 2 0 323.868 2.591 20 0 DFADRP C[C@@H]1C[C@@H](C)C[NH+](CCN2CC[N@H+](C)CC23CCCCC3)C1 ZINC000659987600 431222646 /nfs/dbraw/zinc/22/26/46/431222646.db2.gz AYEALEWBELRNNI-QZTJIDSGSA-N 2 0 307.526 2.915 20 0 DFADRP C[C@H]([NH2+][C@@H]1CCOC[C@@H]1C)c1cccc(OCC[NH+](C)C)c1 ZINC000278438150 279515359 /nfs/dbraw/zinc/51/53/59/279515359.db2.gz HJFHBUHGWARHAN-RLFYNMQTSA-N 2 0 306.450 2.703 20 0 DFADRP Cc1cc(NC(=O)NC[C@H]2CC[N@@H+]2Cc2ccccc2)c(C)cn1 ZINC000666495630 431253630 /nfs/dbraw/zinc/25/36/30/431253630.db2.gz MBURFAROURHPIN-QGZVFWFLSA-N 2 0 324.428 2.516 20 0 DFADRP CC(=O)c1nc(CC[NH+]2CCC(CCC[NH+](C)C)CC2)[nH]c1C ZINC000660156445 431293949 /nfs/dbraw/zinc/29/39/49/431293949.db2.gz GDMONHPJEIBHFG-UHFFFAOYSA-N 2 0 320.481 2.517 20 0 DFADRP CC(C)C[N@H+](C)CCCNC(=O)C(C)(C)[C@H]([NH3+])c1ccccc1 ZINC000653176119 431294255 /nfs/dbraw/zinc/29/42/55/431294255.db2.gz KNROBPHAQPEGEG-QGZVFWFLSA-N 2 0 319.493 2.807 20 0 DFADRP CC[C@@H]1[NH2+]CC[C@H]1C(=O)NCCC[N@H+](CC)C1CCCCC1 ZINC000653200624 431306954 /nfs/dbraw/zinc/30/69/54/431306954.db2.gz KSGPYSGMTRWLEO-SJORKVTESA-N 2 0 309.498 2.535 20 0 DFADRP CC[N@H+](CCCNC(=O)[C@H]1C[C@H](C)CC[NH2+]1)C1CCCCC1 ZINC000653200971 431307438 /nfs/dbraw/zinc/30/74/38/431307438.db2.gz VVSRCQKZZUEXHA-NVXWUHKLSA-N 2 0 309.498 2.535 20 0 DFADRP C[C@@H](Cn1ccnc1)Nc1nccc(N2CCCC(C)(C)C2)n1 ZINC000656108111 431262810 /nfs/dbraw/zinc/26/28/10/431262810.db2.gz OXQAUSAJFHYRFB-AWEZNQCLSA-N 2 0 314.437 2.800 20 0 DFADRP CC[NH+](CC)Cc1cccc(NC(=O)[C@H]2CCC[NH2+]CC2)c1 ZINC000653110774 431269728 /nfs/dbraw/zinc/26/97/28/431269728.db2.gz UGOZPXULIZHOLR-INIZCTEOSA-N 2 0 303.450 2.857 20 0 DFADRP C[N@@H+]1CCN(CCC[NH+]2CCCCC2)[C@H](Cc2ccccc2)C1 ZINC000649828063 431320913 /nfs/dbraw/zinc/32/09/13/431320913.db2.gz BPSASGAWNGWWQJ-HXUWFJFHSA-N 2 0 315.505 2.721 20 0 DFADRP CC[NH+](CC)Cc1ccc(C(=O)N2CC[C@H]([NH+](C)C)[C@@H]2C)cc1 ZINC000646486033 431325217 /nfs/dbraw/zinc/32/52/17/431325217.db2.gz ZWSZPRKWORRHJE-YJBOKZPZSA-N 2 0 317.477 2.693 20 0 DFADRP [NH3+][C@H]1C[C@@H](C(=O)Nc2ccc(SCC[NH+]3CCCC3)cc2)C1 ZINC000653253366 431337304 /nfs/dbraw/zinc/33/73/04/431337304.db2.gz RJCAIGVQJAYGLZ-OKILXGFUSA-N 2 0 319.474 2.550 20 0 DFADRP C[C@@H](C(=O)Nc1ccc(SCC[NH+]2CCCC2)cc1)[C@H](C)[NH3+] ZINC000653253059 431337626 /nfs/dbraw/zinc/33/76/26/431337626.db2.gz FQAQFKRJILMRHL-KGLIPLIRSA-N 2 0 321.490 2.796 20 0 DFADRP C[C@H]1CCC[C@@H](C[NH+]2CCC(C[NH+]3CCN(C)CC3)CC2)C1 ZINC000367671531 279678911 /nfs/dbraw/zinc/67/89/11/279678911.db2.gz PPYQJHUJKFFSLU-PKOBYXMFSA-N 2 0 307.526 2.772 20 0 DFADRP Cc1ccc(NC(=O)C[C@@H](C)NC[C@H]2CCCC[NH2+]2)c(C)c1 ZINC000666770203 431350169 /nfs/dbraw/zinc/35/01/69/431350169.db2.gz OWRVSNSUXHLHDL-HZPDHXFCSA-N 2 0 303.450 2.752 20 0 DFADRP CCOc1ccccc1C[N@@H+]1CCC[C@H](N2CCOCC2)CC1 ZINC000656281527 431355758 /nfs/dbraw/zinc/35/57/58/431355758.db2.gz ZFSLODLRGPXIND-SFHVURJKSA-N 2 0 318.461 2.772 20 0 DFADRP CC(C)[N@H+](C)C[C@@H](O)C[NH+]1CCC[C@]1(C)Cc1ccccc1 ZINC000660291152 431362435 /nfs/dbraw/zinc/36/24/35/431362435.db2.gz VLWGRKDKHFPANM-RTBURBONSA-N 2 0 304.478 2.785 20 0 DFADRP Fc1ccc(-c2n[nH]cc2C[NH2+]CC[C@H]2CCC[NH2+]C2)cc1 ZINC000666797843 431362821 /nfs/dbraw/zinc/36/28/21/431362821.db2.gz YYFSOJVMOCWKJM-CYBMUJFWSA-N 2 0 302.397 2.695 20 0 DFADRP CC[NH+]1CCN(CCC[NH2+]Cc2cccc(C(C)C)c2)CC1 ZINC000663315444 431363241 /nfs/dbraw/zinc/36/32/41/431363241.db2.gz WBNWAISOOXRFPT-UHFFFAOYSA-N 2 0 303.494 2.927 20 0 DFADRP CC[NH+](CC)Cc1ccc(C(=O)N2CCC(CC[NH2+]C)CC2)o1 ZINC000646917250 431416461 /nfs/dbraw/zinc/41/64/61/431416461.db2.gz ZPGIFFWKVKKXOO-UHFFFAOYSA-N 2 0 321.465 2.583 20 0 DFADRP Cc1nn(-c2ccccc2)c(C)c1C[NH2+][C@@H]1CC12CC[NH2+]CC2 ZINC000666950755 431419119 /nfs/dbraw/zinc/41/91/19/431419119.db2.gz FBOHNOPHVISBAP-GOSISDBHSA-N 2 0 310.445 2.721 20 0 DFADRP COc1cc(C[NH2+][C@@H]2CC23CC[NH2+]CC3)cc(Cl)c1OC ZINC000666950903 431420985 /nfs/dbraw/zinc/42/09/85/431420985.db2.gz PSOFVRZFVRAYFQ-CQSZACIVSA-N 2 0 310.825 2.589 20 0 DFADRP FC(F)(F)Oc1cccc(C[NH2+][C@@H]2CC23CC[NH2+]CC3)c1 ZINC000666951982 431423307 /nfs/dbraw/zinc/42/33/07/431423307.db2.gz AXGGGUAIGLJOLZ-CYBMUJFWSA-N 2 0 300.324 2.817 20 0 DFADRP C[C@@H]1C[NH+](CCCC[NH2+][C@@H]2CCCC23CCOCC3)C[C@@H](C)O1 ZINC000367066098 288159971 /nfs/dbraw/zinc/15/99/71/288159971.db2.gz LODQSPCBRBWGOC-KZNAEPCWSA-N 2 0 324.509 2.815 20 0 DFADRP Cn1cc(CNC[C@@H]([NH3+])C2CC2)c(-c2cc3ccccc3o2)n1 ZINC000666834148 431375181 /nfs/dbraw/zinc/37/51/81/431375181.db2.gz IPJPEJCQSOIEDR-OAHLLOKOSA-N 2 0 310.401 2.660 20 0 DFADRP CN(C(=O)CC[NH2+]C1CC([NH+]2CCCCC2)C1)c1ccccc1 ZINC000663361373 431385376 /nfs/dbraw/zinc/38/53/76/431385376.db2.gz HGQIGDJIIWNFKP-UHFFFAOYSA-N 2 0 315.461 2.646 20 0 DFADRP CC(C)[C@@H](C(=O)N1CCC([NH+]2CCCC2)CC1)[NH+]1CCCCC1 ZINC000369015092 279759747 /nfs/dbraw/zinc/75/97/47/279759747.db2.gz HRZLCEQFZYGYEL-SFHVURJKSA-N 2 0 321.509 2.584 20 0 DFADRP C[C@@H]1C[NH2+]CC[C@H]1[NH2+]Cc1cn(C)nc1-c1cc2ccccc2o1 ZINC000666878552 431392986 /nfs/dbraw/zinc/39/29/86/431392986.db2.gz LEIWFQSHRUHPPW-CZUORRHYSA-N 2 0 324.428 2.921 20 0 DFADRP Clc1ccc([C@H](C2CCOCC2)[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000653501800 431405586 /nfs/dbraw/zinc/40/55/86/431405586.db2.gz IPBQGXFTQGTWSQ-XYJFISCASA-N 2 0 320.864 2.959 20 0 DFADRP C[C@@H](CCc1ccc(OC(F)F)cc1)[NH2+]CC12CC(C1)C[NH2+]2 ZINC000663498641 431445024 /nfs/dbraw/zinc/44/50/24/431445024.db2.gz RVDJUYVVXPBZCA-MKQDKFQKSA-N 2 0 310.388 2.951 20 0 DFADRP C[C@H](CCc1ccc(OC(F)F)cc1)[NH2+]CC12CC(C1)C[NH2+]2 ZINC000663498642 431446343 /nfs/dbraw/zinc/44/63/43/431446343.db2.gz RVDJUYVVXPBZCA-RFSCMCKOSA-N 2 0 310.388 2.951 20 0 DFADRP CCC(CC)(CC)C[NH2+]C1CCN(C(=O)CCC[NH2+]C)CC1 ZINC000663503855 431448073 /nfs/dbraw/zinc/44/80/73/431448073.db2.gz NPXYUULPCBXMRV-UHFFFAOYSA-N 2 0 311.514 2.783 20 0 DFADRP C[NH2+]CCCC(=O)N1CCC([NH2+][C@H](C)CCC2CCCC2)CC1 ZINC000663505083 431448306 /nfs/dbraw/zinc/44/83/06/431448306.db2.gz CXNQRCQTSQNQIE-MRXNPFEDSA-N 2 0 323.525 2.926 20 0 DFADRP C[NH2+]CCCC(=O)N1CCC([NH2+][C@H](C)CCCC(C)C)CC1 ZINC000663506091 431448802 /nfs/dbraw/zinc/44/88/02/431448802.db2.gz PMXXNAMFCGTLSR-MRXNPFEDSA-N 2 0 311.514 2.781 20 0 DFADRP C[NH2+]CCCC(=O)N1CCC([NH2+][C@H]2C[C@H](C)CC(C)(C)C2)CC1 ZINC000663505825 431448831 /nfs/dbraw/zinc/44/88/31/431448831.db2.gz MYIZHPNUDRUBED-RDJZCZTQSA-N 2 0 323.525 2.781 20 0 DFADRP C[NH2+]CCCC(=O)N1CCC([NH2+][C@@H]2C[C@@H](C)CC(C)(C)C2)CC1 ZINC000663505824 431449459 /nfs/dbraw/zinc/44/94/59/431449459.db2.gz MYIZHPNUDRUBED-NVXWUHKLSA-N 2 0 323.525 2.781 20 0 DFADRP COc1cccc(C[NH+]2CCC([C@H]3C[C@@H]([NH3+])CCO3)CC2)c1F ZINC000667054050 431461281 /nfs/dbraw/zinc/46/12/81/431461281.db2.gz BSOIZRQMGUWVIL-DOTOQJQBSA-N 2 0 322.424 2.553 20 0 DFADRP c1ccc(C[NH+]2CCC(c3nc([C@H]4CCC[NH2+]4)no3)CC2)cc1 ZINC000647151313 431479446 /nfs/dbraw/zinc/47/94/46/431479446.db2.gz BHHQKTJWSKKWOB-MRXNPFEDSA-N 2 0 312.417 2.874 20 0 DFADRP O[C@@H]1CCC[C@@H](C[N@H+]2C[C@@H]3C[NH+](Cc4ccccc4)C[C@@H]3C2)C1 ZINC000660445266 431434149 /nfs/dbraw/zinc/43/41/49/431434149.db2.gz APMPMUSWMLVBEY-YSTOQKLRSA-N 2 0 314.473 2.601 20 0 DFADRP C[C@H]([NH2+]C[C@@H]1CCC[N@H+](CC2CC2)C1)c1cccc(CO)c1 ZINC000663471820 431435583 /nfs/dbraw/zinc/43/55/83/431435583.db2.gz YMWJHGYVRQEWOX-YJBOKZPZSA-N 2 0 302.462 2.952 20 0 DFADRP COc1c[nH+]ccc1N1CC[NH+](C[C@@H]2CC[C@H]3C[C@H]3C2)CC1 ZINC000660452923 431436004 /nfs/dbraw/zinc/43/60/04/431436004.db2.gz DMBLOBJLQFXLOP-OWCLPIDISA-N 2 0 301.434 2.648 20 0 DFADRP C[C@H](CC(=O)Nc1ccc(F)cc1)[NH2+][C@H]1CC[NH2+]C2(CCC2)C1 ZINC000666995290 431436942 /nfs/dbraw/zinc/43/69/42/431436942.db2.gz JSNNAZPBOIPUSG-CJNGLKHVSA-N 2 0 319.424 2.807 20 0 DFADRP Cc1[nH+]ccc(N2CCC[C@H]([C@@H]3C[C@@H]([NH3+])CCO3)C2)c1Cl ZINC000650296689 431516606 /nfs/dbraw/zinc/51/66/06/431516606.db2.gz JXZFPYXUTIFGQN-YDHLFZDLSA-N 2 0 309.841 2.766 20 0 DFADRP c1cc2c(cc1C[N@@H+]1CCC[C@H](C3CC[NH2+]CC3)C1)C[NH2+]CC2 ZINC000656783324 431519404 /nfs/dbraw/zinc/51/94/04/431519404.db2.gz PEACTAKIIXGTOV-IBGZPJMESA-N 3 0 313.489 2.544 20 0 DFADRP COc1ccc(C[N@@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)cc1O ZINC000656784761 431521737 /nfs/dbraw/zinc/52/17/37/431521737.db2.gz HAUCWYLZGMQZIN-INIZCTEOSA-N 2 0 304.434 2.612 20 0 DFADRP CN(C)c1ccccc1C[N@@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000656786223 431522056 /nfs/dbraw/zinc/52/20/56/431522056.db2.gz PYBFVDWYIXVXSM-QGZVFWFLSA-N 2 0 301.478 2.964 20 0 DFADRP CCOc1cccc(C[NH+]2CCC([C@@H]3CCC[NH2+]C3)CC2)n1 ZINC000656785688 431522478 /nfs/dbraw/zinc/52/24/78/431522478.db2.gz IFVNEUMNCMVFPT-MRXNPFEDSA-N 2 0 303.450 2.692 20 0 DFADRP CCn1nc(C)c(C[NH+]2CCC([C@H]3CCC[NH2+]C3)CC2)c1C ZINC000656786779 431522589 /nfs/dbraw/zinc/52/25/89/431522589.db2.gz XNWTYHZGEJVBQP-KRWDZBQOSA-N 2 0 304.482 2.731 20 0 DFADRP Clc1ccccc1N1CC[C@H](C[NH2+][C@H]2CCC[NH2+]CC2)C1 ZINC000656787356 431522718 /nfs/dbraw/zinc/52/27/18/431522718.db2.gz IHNHBJWZHGZDKN-CABCVRRESA-N 2 0 307.869 2.898 20 0 DFADRP Cc1ccc2ncc(C[N@@H+]3CCC[C@@H](C4CC[NH2+]CC4)C3)n2c1 ZINC000656785155 431523024 /nfs/dbraw/zinc/52/30/24/431523024.db2.gz JQWSKTDOPMOKHK-QGZVFWFLSA-N 2 0 312.461 2.854 20 0 DFADRP c1cc2c(cc1C[N@@H+]1CCC[C@@H](C3CC[NH2+]CC3)C1)OCCO2 ZINC000656786267 431523072 /nfs/dbraw/zinc/52/30/72/431523072.db2.gz RCPPWCITPISJGU-QGZVFWFLSA-N 2 0 316.445 2.669 20 0 DFADRP c1cc2c(c(C[NH+]3CCC([C@H]4CCC[NH2+]C4)CC3)c1)OCO2 ZINC000656786959 431523519 /nfs/dbraw/zinc/52/35/19/431523519.db2.gz YGUSXKKQXNZOEY-HNNXBMFYSA-N 2 0 302.418 2.627 20 0 DFADRP C[C@H]1C[C@@H](NCC2([NH3+])CCCC2)CC[N@@H+]1Cc1ccccc1 ZINC000656789095 431525239 /nfs/dbraw/zinc/52/52/39/431525239.db2.gz IVFLGRUFZBUFNN-WMZOPIPTSA-N 2 0 301.478 2.901 20 0 DFADRP Cc1cccc(NC(=O)C[C@@H](C)[NH2+]CC2([NH3+])CCCC2)c1C ZINC000656789793 431526032 /nfs/dbraw/zinc/52/60/32/431526032.db2.gz YSIXMLCHFZQYJW-CQSZACIVSA-N 2 0 303.450 2.882 20 0 DFADRP C[N@@H+]1C[C@@H](CN[C@@H]2CC[NH+]3CCC[C@@H]3C2)[C@H](c2ccccc2)C1 ZINC000647249221 431527094 /nfs/dbraw/zinc/52/70/94/431527094.db2.gz KMXNSCREUASMHC-WTGUMLROSA-N 2 0 313.489 2.548 20 0 DFADRP CC(C)[N@H+](C)C[C@H](O)C[NH+]1[C@H](C)C[C@H](c2ccccc2)[C@H]1C ZINC000660649230 431528197 /nfs/dbraw/zinc/52/81/97/431528197.db2.gz GLGVOHNAXSFMAY-FPAYPSAMSA-N 2 0 304.478 2.954 20 0 DFADRP C[N@@H+]1C[C@@H](CN[C@H]2CC[NH+]3CCC[C@@H]3C2)[C@H](c2ccccc2)C1 ZINC000647249220 431529822 /nfs/dbraw/zinc/52/98/22/431529822.db2.gz KMXNSCREUASMHC-WCIQWLHISA-N 2 0 313.489 2.548 20 0 DFADRP Cc1ccc(-c2nn(C)cc2C[NH2+]C[C@@H](C)C[NH+]2CCCC2)o1 ZINC000647172669 431490905 /nfs/dbraw/zinc/49/09/05/431490905.db2.gz DCKQLMVRCONYRS-CQSZACIVSA-N 2 0 316.449 2.810 20 0 DFADRP C[C@@H]1C[C@H]([NH2+]Cc2ccc(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)CO1 ZINC000647170338 431491411 /nfs/dbraw/zinc/49/14/11/431491411.db2.gz WNLFKPCVZGLKDU-JEWRLFTDSA-N 2 0 318.461 2.563 20 0 DFADRP CC[NH+](CC)CCOc1ccccc1C[NH2+][C@@H]1CO[C@H](C)C1 ZINC000647171914 431492518 /nfs/dbraw/zinc/49/25/18/431492518.db2.gz AEFXEXMWNSBCTM-WBVHZDCISA-N 2 0 306.450 2.674 20 0 DFADRP CC[NH+]1CCC(C[NH2+]Cc2cn(C)nc2-c2ccc(C)o2)CC1 ZINC000647179582 431493988 /nfs/dbraw/zinc/49/39/88/431493988.db2.gz FRAMDROBAVEWLN-UHFFFAOYSA-N 2 0 316.449 2.810 20 0 DFADRP CO[C@@H]1[C@@H](C)[C@@H]([NH2+]C[C@@H]2C[N@H+](C)C[C@H]2c2ccccc2)C1(C)C ZINC000647344145 431558885 /nfs/dbraw/zinc/55/88/85/431558885.db2.gz KBJLKYWZOLXXGE-IKLKHMQRSA-N 2 0 316.489 2.981 20 0 DFADRP C[C@@H](CCn1cccn1)[NH2+]C[C@@H]1C[N@H+](C)C[C@H]1c1ccccc1 ZINC000647343849 431560138 /nfs/dbraw/zinc/56/01/38/431560138.db2.gz DKFCLDZGAQTFKT-UHOSZYNNSA-N 2 0 312.461 2.597 20 0 DFADRP C[N@H+](CCN1CCC[C@]2(CC[NH+](C)C2)C1)Cc1ccc(F)cc1 ZINC000660661372 431537447 /nfs/dbraw/zinc/53/74/47/431537447.db2.gz CTRZZVWZISXDII-LJQANCHMSA-N 2 0 319.468 2.675 20 0 DFADRP C[C@H]1C[C@H](N[C@@H]2CC[NH+](C3CC3)C2)CC[N@@H+]1Cc1ccccc1 ZINC000178741378 280013208 /nfs/dbraw/zinc/01/32/08/280013208.db2.gz NTVQOUAGZQGSPI-QXAKKESOSA-N 2 0 313.489 2.866 20 0 DFADRP Cc1cccc2nc(CC[NH2+][C@@H]3CC[N@@H+](C)[C@@H]4CCC[C@H]43)cn21 ZINC000647364103 431566256 /nfs/dbraw/zinc/56/62/56/431566256.db2.gz RUQXJRKVKXCYRC-RCCFBDPRSA-N 2 0 312.461 2.648 20 0 DFADRP C[C@H]1[C@H](NC2CC[NH+](C3CC3)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000294314319 280119305 /nfs/dbraw/zinc/11/93/05/280119305.db2.gz WCQDRHXTOKVQAB-OXJNMPFZSA-N 2 0 313.489 2.866 20 0 DFADRP CC(C)[C@H](C(=O)NCCC[N@@H+]1CCCC[C@@H]1C)[NH+]1CCCCC1 ZINC000358819928 280170443 /nfs/dbraw/zinc/17/04/43/280170443.db2.gz RYKVUMAVYVNTIY-ZWKOTPCHSA-N 2 0 323.525 2.878 20 0 DFADRP CC[C@@H]([NH2+]CCCN1CC[NH+](CC)CC1)c1ccc(OC)cc1 ZINC000154264840 280187373 /nfs/dbraw/zinc/18/73/73/280187373.db2.gz GIARXAXWOBWRDS-LJQANCHMSA-N 2 0 319.493 2.764 20 0 DFADRP CC(C)[N@H+](C)C[C@H](O)C[NH+](C)[C@H]1CCC[C@@H]1c1ccccc1 ZINC000660774846 431591718 /nfs/dbraw/zinc/59/17/18/431591718.db2.gz BZTOEMVGMRHHDV-OTWHNJEPSA-N 2 0 304.478 2.956 20 0 DFADRP CSc1cccc(CN2CCOC3(CC[NH+](C)CC3)C2)c1 ZINC000660907251 431651673 /nfs/dbraw/zinc/65/16/73/431651673.db2.gz XFHPQWICVYDZPT-UHFFFAOYSA-N 2 0 306.475 2.705 20 0 DFADRP C[NH+](C)C1(CNCc2ccnn2-c2cc[nH+]cc2)CCCCC1 ZINC000657288832 431652659 /nfs/dbraw/zinc/65/26/59/431652659.db2.gz GIJHGLLLJZCDQS-UHFFFAOYSA-N 2 0 313.449 2.621 20 0 DFADRP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCC[N@H+](Cc3cc(F)cc(F)c3)C2)C1 ZINC000650707401 431652935 /nfs/dbraw/zinc/65/29/35/431652935.db2.gz FEJZDPRBCLSXFG-KBRIMQKVSA-N 2 0 310.388 2.683 20 0 DFADRP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCC[N@H+](Cc3cnc(C4CC4)s3)C2)C1 ZINC000650707584 431654435 /nfs/dbraw/zinc/65/44/35/431654435.db2.gz IZGYNUHTKWAQHT-SQWLQELKSA-N 2 0 321.490 2.739 20 0 DFADRP COc1cc(C[N@@H+]2CCC[C@H]([C@H]3C[C@H]([NH3+])CCO3)C2)ccc1C ZINC000650708342 431655916 /nfs/dbraw/zinc/65/59/16/431655916.db2.gz YDTRSSAEQWCDCZ-YQVWRLOYSA-N 2 0 318.461 2.722 20 0 DFADRP C[C@H]1CCC[N@H+](Cc2ccc(C(=O)NC3CC3)cc2)[C@@H]1CC[NH3+] ZINC000650710885 431656179 /nfs/dbraw/zinc/65/61/79/431656179.db2.gz BTQNNKCEQYCMMN-KBXCAEBGSA-N 2 0 315.461 2.528 20 0 DFADRP [NH3+]CC1(CC[NH2+]Cc2cc(Cl)c3c(c2)OCCCO3)CC1 ZINC000650711943 431659720 /nfs/dbraw/zinc/65/97/20/431659720.db2.gz KKCNHNIMQIJCTL-UHFFFAOYSA-N 2 0 310.825 2.720 20 0 DFADRP CC[C@@H]1C[N@H+](Cc2ccc(C)cc2-c2ccnn2C)CC[C@H]1[NH3+] ZINC000647497756 431607208 /nfs/dbraw/zinc/60/72/08/431607208.db2.gz UDYAOCBVLVTWGF-CRAIPNDOSA-N 2 0 312.461 2.955 20 0 DFADRP COc1cccc(-c2n[nH]cc2C[N@@H+]2CCC[C@H]([C@@H](C)[NH3+])C2)c1 ZINC000647496841 431607322 /nfs/dbraw/zinc/60/73/22/431607322.db2.gz XUVWSNOGDAJOGY-HIFRSBDPSA-N 2 0 314.433 2.645 20 0 DFADRP CC[C@H]1C[N@H+](Cc2c[nH]nc2-c2cccc(OC)c2)CC[C@H]1[NH3+] ZINC000647498535 431609668 /nfs/dbraw/zinc/60/96/68/431609668.db2.gz JTYFYWPEAHTBPX-SUMWQHHRSA-N 2 0 314.433 2.645 20 0 DFADRP CC[N@H+](Cc1ccc(C(=O)NC2CC2)cc1)[C@@H]1CCC[NH2+]CC1 ZINC000647521659 431614251 /nfs/dbraw/zinc/61/42/51/431614251.db2.gz UFWCVPCHFCFPJR-GOSISDBHSA-N 2 0 315.461 2.543 20 0 DFADRP C(c1nc2c(s1)CCCC2)[N@@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000647545732 431623961 /nfs/dbraw/zinc/62/39/61/431623961.db2.gz JVLFVCOXNRGAIB-ZIAGYGMSSA-N 2 0 305.491 2.843 20 0 DFADRP COc1c(O)cccc1C[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647543124 431624964 /nfs/dbraw/zinc/62/49/64/431624964.db2.gz HVNCLXWGSZIZCL-LSDHHAIUSA-N 2 0 304.434 2.612 20 0 DFADRP CC(C)(C)c1n[nH]cc1C[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647543872 431625562 /nfs/dbraw/zinc/62/55/62/431625562.db2.gz TUVRTTHALCYVSD-LSDHHAIUSA-N 2 0 304.482 2.919 20 0 DFADRP Cc1nc2ccccn2c1C[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647543194 431625694 /nfs/dbraw/zinc/62/56/94/431625694.db2.gz JATUUPYLVSZQMW-IAGOWNOFSA-N 2 0 312.461 2.854 20 0 DFADRP COc1ccc(C[N@@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)c(OC)c1 ZINC000647543430 431625925 /nfs/dbraw/zinc/62/59/25/431625925.db2.gz NHBPVISWIHUEEV-HOTGVXAUSA-N 2 0 318.461 2.915 20 0 DFADRP Fc1cccc(F)c1N1CC[C@H]([NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)C1 ZINC000647549923 431627204 /nfs/dbraw/zinc/62/72/04/431627204.db2.gz XZBSHDFOECKNIU-TUVASFSCSA-N 2 0 321.415 2.521 20 0 DFADRP CC1(C)C[C@H]([NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)c2cc(N)ccc2O1 ZINC000647548215 431628930 /nfs/dbraw/zinc/62/89/30/431628930.db2.gz ZLHVUSCTLRZCGT-SHFYGJNESA-N 2 0 315.461 2.849 20 0 DFADRP CCCn1nccc1C[NH2+]Cc1ccccc1Cn1ccnc1 ZINC000657306213 431661199 /nfs/dbraw/zinc/66/11/99/431661199.db2.gz ZKTDDOCQEYNOIV-UHFFFAOYSA-N 2 0 309.417 2.828 20 0 DFADRP COc1cc(C[N@@H+]2CCCC[C@@H]2[C@H]2C[C@@H]([NH3+])CCO2)ccc1C ZINC000650724170 431667658 /nfs/dbraw/zinc/66/76/58/431667658.db2.gz ZLFDTOKNPUSSLK-YQVWRLOYSA-N 2 0 318.461 2.864 20 0 DFADRP C[C@H]1C[C@H](C)C[NH+](CCCC[NH2+]Cc2cn(C3CCC3)nn2)C1 ZINC000657312991 431669130 /nfs/dbraw/zinc/66/91/30/431669130.db2.gz OPYNNGHSBCLHJH-HOTGVXAUSA-N 2 0 319.497 2.851 20 0 DFADRP O[C@@H](CNCc1cccc(C2CCCC2)c1)C[NH+]1CCCC1 ZINC000657326240 431675419 /nfs/dbraw/zinc/67/54/19/431675419.db2.gz OFJNRFDSPGDFTI-IBGZPJMESA-N 2 0 302.462 2.891 20 0 DFADRP O[C@H](CNCc1cccc(C2CCCC2)c1)C[NH+]1CCCC1 ZINC000657326242 431677113 /nfs/dbraw/zinc/67/71/13/431677113.db2.gz OFJNRFDSPGDFTI-LJQANCHMSA-N 2 0 302.462 2.891 20 0 DFADRP C[C@@H]1[C@H]([NH2+]CCC2(C[NH3+])CC2)CCCN1Cc1ccccc1 ZINC000650747976 431677033 /nfs/dbraw/zinc/67/70/33/431677033.db2.gz KUVYSQWTVQJALG-SJLPKXTDSA-N 2 0 301.478 2.758 20 0 DFADRP [NH3+]CC1(CC[NH2+][C@H]2CCCc3nn(-c4ccccc4)cc32)CC1 ZINC000650747265 431677141 /nfs/dbraw/zinc/67/71/41/431677141.db2.gz WDIJVLIRYIUSDU-KRWDZBQOSA-N 2 0 310.445 2.968 20 0 DFADRP CC(C)[N@H+](C)Cc1cccc(C[NH2+]Cc2cnc3n2CCC3)c1 ZINC000657332864 431678464 /nfs/dbraw/zinc/67/84/64/431678464.db2.gz SBQJRYUAIXBHAH-UHFFFAOYSA-N 2 0 312.461 2.959 20 0 DFADRP c1nn2c(c1C[NH2+]CC1CC[NH+](Cc3ccccc3)CC1)CCC2 ZINC000657329831 431680967 /nfs/dbraw/zinc/68/09/67/431680967.db2.gz WWYNRHIRIKVKPD-UHFFFAOYSA-N 2 0 324.472 2.831 20 0 DFADRP COC[C@@H](C)Oc1ccc(C[NH2+]C[C@@H](C)Cn2ccnc2)cc1 ZINC000657334361 431681539 /nfs/dbraw/zinc/68/15/39/431681539.db2.gz XALKOPHEZNQISV-HZPDHXFCSA-N 2 0 317.433 2.723 20 0 DFADRP C[NH2+]Cc1ccccc1C[NH2+][C@H](C)c1ccc(OC)c(O)c1 ZINC000650755817 431681761 /nfs/dbraw/zinc/68/17/61/431681761.db2.gz NOMPZNOPWFKONM-CYBMUJFWSA-N 2 0 300.402 2.971 20 0 DFADRP Cc1c(Br)cncc1CN[C@@H](C)CC[NH+](C)C ZINC000657335987 431681979 /nfs/dbraw/zinc/68/19/79/431681979.db2.gz VXLVUUMNHWDXAD-JTQLQIEISA-N 2 0 300.244 2.582 20 0 DFADRP [NH3+]Cc1ccc(C[NH2+][C@@H]2CCC[C@@H]([C@@H]3CCOC3)C2)c(F)c1 ZINC000650755095 431682747 /nfs/dbraw/zinc/68/27/47/431682747.db2.gz YVDHWNCEDRMRPE-DJIMGWMZSA-N 2 0 306.425 2.969 20 0 DFADRP CN(CCCC[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)c1ccccc1 ZINC000647786326 431683991 /nfs/dbraw/zinc/68/39/91/431683991.db2.gz MXIAIZQHFHRVHW-FGTMMUONSA-N 2 0 301.478 2.881 20 0 DFADRP c1ccc(CCN2CCC([NH2+]CCC3CC[NH2+]CC3)CC2)cc1 ZINC000650763540 431684018 /nfs/dbraw/zinc/68/40/18/431684018.db2.gz CZMCIFUPARZINX-UHFFFAOYSA-N 2 0 315.505 2.673 20 0 DFADRP CCc1ccc([C@H](C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)N(C)C)cc1 ZINC000647785782 431684498 /nfs/dbraw/zinc/68/44/98/431684498.db2.gz FJHJOVHVOAUHCW-WCIQWLHISA-N 2 0 315.505 2.829 20 0 DFADRP c1cc(C[NH+]2CCCC2)ccc1C[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000647788057 431684915 /nfs/dbraw/zinc/68/49/15/431684915.db2.gz BSWQWXLMSUYXEP-XUVXKRRUSA-N 3 0 313.489 2.760 20 0 DFADRP C[C@@H](CCc1n[nH]c2ccccc21)[NH2+]CCC1CC[NH2+]CC1 ZINC000650762947 431685067 /nfs/dbraw/zinc/68/50/67/431685067.db2.gz NXJYCVGHFAUBNS-AWEZNQCLSA-N 2 0 300.450 2.863 20 0 DFADRP FC1(F)Oc2ccc(CC[NH2+][C@@H]3CC[C@H]4C[NH2+]C[C@@H]4C3)cc2O1 ZINC000650761244 431685266 /nfs/dbraw/zinc/68/52/66/431685266.db2.gz VSWXDMPSRJHTAR-MELADBBJSA-N 2 0 324.371 2.528 20 0 DFADRP C[C@H](CCc1ccc2c(c1)OCO2)[NH2+]CCC1CC[NH2+]CC1 ZINC000650764303 431685875 /nfs/dbraw/zinc/68/58/75/431685875.db2.gz VLNOLHSQQHZZLN-CQSZACIVSA-N 2 0 304.434 2.716 20 0 DFADRP C[C@H]1C[C@@H]([NH2+]CCC2CC[NH2+]CC2)CN1Cc1ccccc1 ZINC000650763786 431685971 /nfs/dbraw/zinc/68/59/71/431685971.db2.gz JLRFEZQIDNTGSV-QFBILLFUSA-N 2 0 301.478 2.629 20 0 DFADRP C[C@@H]([NH2+]CCC1CC[NH2+]CC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000650762678 431685990 /nfs/dbraw/zinc/68/59/90/431685990.db2.gz HSMLKOINMZIDRG-XLIONFOSSA-N 3 0 315.505 2.876 20 0 DFADRP C[C@H]1CC[NH2+]CC[C@@H]1[NH2+]CCc1ccc2c(c1)OC(F)(F)O2 ZINC000650761432 431686206 /nfs/dbraw/zinc/68/62/06/431686206.db2.gz ZTXWNOSVUDOWHZ-AAEUAGOBSA-N 2 0 312.360 2.528 20 0 DFADRP c1cc(C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)cc(N2CCCCC2)n1 ZINC000647789967 431686369 /nfs/dbraw/zinc/68/63/69/431686369.db2.gz OSPUOKJMXYCFFW-FGTMMUONSA-N 2 0 314.477 2.550 20 0 DFADRP CCCOc1cccc(CC[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)c1 ZINC000647792885 431686394 /nfs/dbraw/zinc/68/63/94/431686394.db2.gz DALLCKYFODLAJZ-KZNAEPCWSA-N 2 0 302.462 2.996 20 0 DFADRP Cc1ccc([C@H](C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)N2CCCC2)o1 ZINC000647790063 431686749 /nfs/dbraw/zinc/68/67/49/431686749.db2.gz QQBWSLTWMPDSCU-FJIDUMEYSA-N 2 0 317.477 2.703 20 0 DFADRP CC[C@H](C[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1)Oc1ccccc1F ZINC000647788476 431687109 /nfs/dbraw/zinc/68/71/09/431687109.db2.gz KDSCUGWMFBLXHU-CAOSSQGBSA-N 2 0 306.425 2.961 20 0 DFADRP COc1ccc(CC[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)c(Cl)c1 ZINC000647789861 431687249 /nfs/dbraw/zinc/68/72/49/431687249.db2.gz MWOKMNLQHAFSNG-RRFJBIMHSA-N 2 0 308.853 2.869 20 0 DFADRP C1[NH2+]C[C@H]2C[C@H]([NH2+]C3CC[NH+](C4CCCCC4)CC3)CC[C@@H]12 ZINC000647788739 431687288 /nfs/dbraw/zinc/68/72/88/431687288.db2.gz POWAZNGQODISBX-LZLYRXPVSA-N 3 0 305.510 2.761 20 0 DFADRP CC[C@@H]1CCCN(C(C)(C)C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)C1 ZINC000647790437 431687398 /nfs/dbraw/zinc/68/73/98/431687398.db2.gz YJLHCICFNYIJHI-XMTFNYHQSA-N 2 0 307.526 2.865 20 0 DFADRP Fc1ccc2c(CC[NH2+][C@@H]3CC[C@H]4C[NH2+]C[C@@H]4C3)c[nH]c2c1 ZINC000647788520 431687908 /nfs/dbraw/zinc/68/79/08/431687908.db2.gz LEWPKQYLYDJCTN-DUVNUKRYSA-N 2 0 301.409 2.827 20 0 DFADRP COCCN1CCC[C@@H]1C[NH2+]Cc1cccc(OC2CC2)c1F ZINC000657345872 431688790 /nfs/dbraw/zinc/68/87/90/431688790.db2.gz SMQBMBQQYJEYQR-OAHLLOKOSA-N 2 0 322.424 2.567 20 0 DFADRP COc1ccc(OC)c(CCC[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)c1 ZINC000647794405 431689158 /nfs/dbraw/zinc/68/91/58/431689158.db2.gz ZQQQHTFKGQVUCQ-GVDBMIGSSA-N 2 0 318.461 2.614 20 0 DFADRP CCCCOc1ncccc1C[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000647793166 431689291 /nfs/dbraw/zinc/68/92/91/431689291.db2.gz NEWIRZOAVAXQGW-HYVNUMGLSA-N 2 0 303.450 2.738 20 0 DFADRP Fc1cc(F)c(C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)c(F)c1F ZINC000647795252 431690290 /nfs/dbraw/zinc/69/02/90/431690290.db2.gz MKSPGVLSNWPRBV-KXUCPTDWSA-N 2 0 302.315 2.721 20 0 DFADRP COc1cccc(C2(C[NH2+][C@@H]3CC[C@@H]4C[NH2+]C[C@@H]4C3)CC2)c1 ZINC000647797799 431692063 /nfs/dbraw/zinc/69/20/63/431692063.db2.gz CLILGHCCXHMTNB-HLLBOEOZSA-N 2 0 300.446 2.705 20 0 DFADRP c1cc(C[NH2+][C@@H]2CCN(c3ccccc3)C2)n(-c2cc[nH+]cc2)n1 ZINC000657352789 431696040 /nfs/dbraw/zinc/69/60/40/431696040.db2.gz BQSYAMWQLFKRJA-MRXNPFEDSA-N 2 0 319.412 2.636 20 0 DFADRP CC[C@@H]1CCC[C@@H]([NH2+]C2CCN(CCC(=O)N(C)C)CC2)CC1 ZINC000657359713 431700609 /nfs/dbraw/zinc/70/06/09/431700609.db2.gz XOQCGUSYIIUVNB-IAGOWNOFSA-N 2 0 323.525 2.878 20 0 DFADRP COc1ccc(OCC[N@H+](C)CCCC2CC[NH2+]CC2)cc1 ZINC000647872618 431713800 /nfs/dbraw/zinc/71/38/00/431713800.db2.gz IWNUCKGBJXXLGP-UHFFFAOYSA-N 2 0 306.450 2.786 20 0 DFADRP CC[C@@H](COC)[NH2+]Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000657370572 431705904 /nfs/dbraw/zinc/70/59/04/431705904.db2.gz IYPNGUHFJWPKFM-KRWDZBQOSA-N 2 0 319.493 2.732 20 0 DFADRP CN(CCC[NH+](C)C)CCNc1cc(Cl)c2ncccc2n1 ZINC000664245654 431713815 /nfs/dbraw/zinc/71/38/15/431713815.db2.gz QKFCARYILGSKQE-UHFFFAOYSA-N 2 0 321.856 2.579 20 0 DFADRP CC(C)CC[C@](C)(O)C[NH2+]Cc1ccnn1-c1cc[nH+]cc1 ZINC000657373465 431709462 /nfs/dbraw/zinc/70/94/62/431709462.db2.gz WSJPVKGWSJBARG-KRWDZBQOSA-N 2 0 302.422 2.544 20 0 DFADRP C[C@@H]([NH3+])[C@H]1CN(CCCOc2ccc(C(C)(C)C)cc2)CCO1 ZINC000647861890 431711164 /nfs/dbraw/zinc/71/11/64/431711164.db2.gz JGFCNZIJDNIFFK-CRAIPNDOSA-N 2 0 320.477 2.801 20 0 DFADRP COC[C@H](C)Oc1ccc(C[NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)cc1 ZINC000657376548 431712663 /nfs/dbraw/zinc/71/26/63/431712663.db2.gz RYFDRBCWBYOJDR-HLLBOEOZSA-N 2 0 306.450 2.673 20 0 DFADRP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+][C@@H]1CNc2ccccc2C1 ZINC000650715616 431662549 /nfs/dbraw/zinc/66/25/49/431662549.db2.gz FWJJAXCOPKCFPE-KRWDZBQOSA-N 2 0 319.412 2.702 20 0 DFADRP CC[N@@H+]1CCC[C@H](CN(C)c2ccccn2)[C@H]1c1cnn(C)c1 ZINC000664295381 431727788 /nfs/dbraw/zinc/72/77/88/431727788.db2.gz MTUBMTCWWJEONL-QAPCUYQASA-N 2 0 313.449 2.725 20 0 DFADRP CC1([NH3+])CC[NH+](CCC(=O)Nc2cccc3ccccc32)CC1 ZINC000647925338 431731438 /nfs/dbraw/zinc/73/14/38/431731438.db2.gz DWWLPPVVMHTHIA-UHFFFAOYSA-N 2 0 311.429 2.982 20 0 DFADRP C[C@@H]([NH2+]Cc1cnn2c1CCC2)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000657429187 431744072 /nfs/dbraw/zinc/74/40/72/431744072.db2.gz DSOJNRWBWHSJPJ-AEFFLSMTSA-N 2 0 324.472 2.830 20 0 DFADRP CC(C)[C@@H]1C[C@@H]([NH2+]Cc2ccnn2-c2cc[nH+]cc2)CCO1 ZINC000657425819 431744617 /nfs/dbraw/zinc/74/46/17/431744617.db2.gz QLMZLACFXVLCGR-YOEHRIQHSA-N 2 0 300.406 2.561 20 0 DFADRP Cc1ncc(C[NH2+][C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]23)n1C ZINC000657433655 431751681 /nfs/dbraw/zinc/75/16/81/431751681.db2.gz YDAPEQSHEBEXJB-MISYRCLQSA-N 2 0 324.472 2.729 20 0 DFADRP Cc1cccc2[nH]c(C[NH2+][C@@H](C)CCN3CC[NH+](C)CC3)cc21 ZINC000657439177 431752567 /nfs/dbraw/zinc/75/25/67/431752567.db2.gz WEVCVBUEQOZFLS-INIZCTEOSA-N 2 0 314.477 2.592 20 0 DFADRP Cc1ccc(C[C@H]2CCC[NH+]2C[C@@H](O)C[N@@H+](C)C(C)C)cc1 ZINC000647964000 431755368 /nfs/dbraw/zinc/75/53/68/431755368.db2.gz MIARARXXYSDPPC-MOPGFXCFSA-N 2 0 304.478 2.703 20 0 DFADRP C[C@H](O)[C@@](C)(C[NH2+]Cc1cnc2n1CCC2)Cc1ccccc1 ZINC000657447632 431755975 /nfs/dbraw/zinc/75/59/75/431755975.db2.gz OWSFZRQZEUWUHU-HNAYVOBHSA-N 2 0 313.445 2.549 20 0 DFADRP CC[N@H+](C)C[C@@H]1CC[NH+](C[C@@H]2CCCN(C(=O)C(C)(C)C)C2)C1 ZINC000647966569 431756388 /nfs/dbraw/zinc/75/63/88/431756388.db2.gz ZJKBHSOPIRPCLN-IRXDYDNUSA-N 2 0 323.525 2.545 20 0 DFADRP CC(C)[N@H+](C)C[C@H](O)C[NH2+][C@@H]1CCC[C@H]1Cc1ccccc1 ZINC000647971999 431759077 /nfs/dbraw/zinc/75/90/77/431759077.db2.gz FSGPIPIQVLUBFW-IPMKNSEASA-N 2 0 304.478 2.689 20 0 DFADRP Cc1cccc(NC(=O)C[N@@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)c1 ZINC000647975228 431760851 /nfs/dbraw/zinc/76/08/51/431760851.db2.gz RGKVCSFZQKKDNR-IAGOWNOFSA-N 2 0 315.461 2.645 20 0 DFADRP Cc1cccc(NC(=O)C[N@@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)c1 ZINC000647975229 431761645 /nfs/dbraw/zinc/76/16/45/431761645.db2.gz RGKVCSFZQKKDNR-IRXDYDNUSA-N 2 0 315.461 2.645 20 0 DFADRP Fc1ccc(OCC[N@@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)cc1 ZINC000647977100 431761939 /nfs/dbraw/zinc/76/19/39/431761939.db2.gz XVDVSIRFKHEDRX-CVEARBPZSA-N 2 0 306.425 2.916 20 0 DFADRP Cc1ccccc1-c1noc(C[NH+]2CCC3(CC[NH2+]C3)CC2)n1 ZINC000647974783 431761974 /nfs/dbraw/zinc/76/19/74/431761974.db2.gz ZHGRNQXTWHXHSX-UHFFFAOYSA-N 2 0 312.417 2.621 20 0 DFADRP Cc1ccc(C[N@H+]2CC[C@H](Oc3cccnc3N(C)C)C2)nc1 ZINC000664473152 431790775 /nfs/dbraw/zinc/79/07/75/431790775.db2.gz GSGCKZUPCGDSAX-INIZCTEOSA-N 2 0 312.417 2.504 20 0 DFADRP CC(C)n1cc([C@@H]2OCC[C@H]2[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)cn1 ZINC000657509458 431792426 /nfs/dbraw/zinc/79/24/26/431792426.db2.gz GYJUTOYSFGKWRC-TVFCKZIOSA-N 2 0 318.465 2.510 20 0 DFADRP Fc1ccc(C[NH2+]CC2CC[NH+](C3CCOCC3)CC2)cc1 ZINC000657536956 431801161 /nfs/dbraw/zinc/80/11/61/431801161.db2.gz VHTLTMMXLUUCFA-UHFFFAOYSA-N 2 0 306.425 2.806 20 0 DFADRP CC(C)OC1CC([NH2+]C[C@@H]2C[N@H+](C)C[C@H]2c2ccccc2)C1 ZINC000648068438 431805951 /nfs/dbraw/zinc/80/59/51/431805951.db2.gz YMNWARSMKPIRCH-UGXKVIGPSA-N 2 0 302.462 2.877 20 0 DFADRP C[C@@H]1C[N@H+](Cc2ccc(OCC[NH+](C)C)cc2)CC2(CCC2)O1 ZINC000648074244 431809068 /nfs/dbraw/zinc/80/90/68/431809068.db2.gz GJBATJJYDNEHBE-MRXNPFEDSA-N 2 0 318.461 2.770 20 0 DFADRP C[C@@H](CN(C)CCC[NH+](C)C)[NH2+]Cc1coc2ccccc12 ZINC000657572651 431814403 /nfs/dbraw/zinc/81/44/03/431814403.db2.gz AGISXRUCTIZXCP-HNNXBMFYSA-N 2 0 303.450 2.794 20 0 DFADRP C[C@@H](CN(C)CCC[NH+](C)C)[NH2+]Cc1ccccc1C1CC1 ZINC000657572988 431814739 /nfs/dbraw/zinc/81/47/39/431814739.db2.gz HIVLXMKMXXUCTB-INIZCTEOSA-N 2 0 303.494 2.926 20 0 DFADRP C[C@@H](CN(C)CCC[NH+](C)C)[NH2+]Cc1cc2cc(F)ccc2o1 ZINC000657574220 431815302 /nfs/dbraw/zinc/81/53/02/431815302.db2.gz UGIYJULHKXDNQU-AWEZNQCLSA-N 2 0 321.440 2.934 20 0 DFADRP C[C@@H](CN(C)CCC[NH+](C)C)[NH2+]C[C@@H]1C[C@H]1c1ccccc1 ZINC000657572600 431816050 /nfs/dbraw/zinc/81/60/50/431816050.db2.gz CIPJVTDCHPZZIH-WDSOQIARSA-N 2 0 303.494 2.652 20 0 DFADRP C[N@H+](CCOc1ccc(C(F)(F)F)cc1)C[C@H]1CC[NH2+]C1 ZINC000647991537 431766256 /nfs/dbraw/zinc/76/62/56/431766256.db2.gz IOHIGLQPVKRNKW-LBPRGKRZSA-N 2 0 302.340 2.626 20 0 DFADRP CCC[C@H]1CN(C[C@@H]2CC[NH2+]C2)CC[N@@H+]1Cc1ccccc1 ZINC000647990902 431766344 /nfs/dbraw/zinc/76/63/44/431766344.db2.gz UDNGWFRFFJGLHN-MOPGFXCFSA-N 2 0 301.478 2.582 20 0 DFADRP c1ccc(C[N@H+]2CCC[C@@H]3CN(C[C@H]4CC[NH2+]C4)CC[C@@H]32)cc1 ZINC000647990923 431767026 /nfs/dbraw/zinc/76/70/26/431767026.db2.gz VGJPHXWUORTZFX-ZCNNSNEGSA-N 2 0 313.489 2.582 20 0 DFADRP CCC[N@H+](C[C@H]1CC[NH2+]C1)[C@H](C)CC(=O)Nc1ccccc1 ZINC000647991219 431767767 /nfs/dbraw/zinc/76/77/67/431767767.db2.gz MEHNBGWUHQMALR-CVEARBPZSA-N 2 0 303.450 2.725 20 0 DFADRP c1cc(C[NH2+]C[C@@H]2CC23CCSCC3)n(-c2cc[nH+]cc2)n1 ZINC000657493852 431784923 /nfs/dbraw/zinc/78/49/23/431784923.db2.gz JTKMLABNRILALU-AWEZNQCLSA-N 2 0 314.458 2.890 20 0 DFADRP O[C@@H]1CC[N@H+](Cc2ccc(C[NH2+]Cc3cccs3)cc2)C1 ZINC000657596390 431820747 /nfs/dbraw/zinc/82/07/47/431820747.db2.gz VWUYROUTXXMJGM-MRXNPFEDSA-N 2 0 302.443 2.605 20 0 DFADRP O[C@@H]1CC[N@H+](Cc2ccc(C[NH2+]Cc3ccccc3F)cc2)C1 ZINC000657594320 431821902 /nfs/dbraw/zinc/82/19/02/431821902.db2.gz IJVDGXNUEMLIHR-GOSISDBHSA-N 2 0 314.404 2.682 20 0 DFADRP CC[C@H]1C[C@@H]([NH2+]CC2CC[NH+](Cc3ccncc3)CC2)CCO1 ZINC000657612672 431825503 /nfs/dbraw/zinc/82/55/03/431825503.db2.gz CGVOBIMCYHDVFJ-OALUTQOASA-N 2 0 317.477 2.841 20 0 DFADRP c1cc(C[NH+]2CCC(C[NH2+]C[C@@H]3CCSC3)CC2)ccn1 ZINC000657613924 431825546 /nfs/dbraw/zinc/82/55/46/431825546.db2.gz XAZNEJBLCVCDPQ-KRWDZBQOSA-N 2 0 305.491 2.636 20 0 DFADRP C[NH+](C)C[C@@H](NC(=O)C1CCC([NH3+])CC1)c1ccc(Cl)cc1 ZINC000648154035 431826163 /nfs/dbraw/zinc/82/61/63/431826163.db2.gz TWCCJCHXSXCXAQ-AVVWSFFYSA-N 2 0 323.868 2.576 20 0 DFADRP [NH3+]C[C@@H]1CCC[C@@H]1C(=O)Nc1cccc(CC[NH+]2CCCC2)c1 ZINC000648154165 431827410 /nfs/dbraw/zinc/82/74/10/431827410.db2.gz CPMSNMAKTWXWSK-WMZOPIPTSA-N 2 0 315.461 2.638 20 0 DFADRP FC1(F)C[C@@H]1OCC[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000657618291 431827650 /nfs/dbraw/zinc/82/76/50/431827650.db2.gz FNTJKTGGZZEARF-HNNXBMFYSA-N 2 0 302.409 2.797 20 0 DFADRP CCC(C)(C)[NH2+][C@H](C)C(=O)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000356821710 282016081 /nfs/dbraw/zinc/01/60/81/282016081.db2.gz KVQUIMNDJYMCJA-CVEARBPZSA-N 2 0 309.498 2.630 20 0 DFADRP C[NH+](C)CCN(C(=O)C[C@H]([NH3+])c1ccccc1)c1ccccc1 ZINC000237113707 289120739 /nfs/dbraw/zinc/12/07/39/289120739.db2.gz HQGWBJCPYPYZQA-SFHVURJKSA-N 2 0 311.429 2.671 20 0 DFADRP COCC[C@H]1CCC[C@@H]1[NH2+]CC1(SC)CC[NH+](C)CC1 ZINC000353627424 292716689 /nfs/dbraw/zinc/71/66/89/292716689.db2.gz KIIQURPRUZRWJT-CABCVRRESA-N 2 0 300.512 2.609 20 0 DFADRP CCC([NH3+])(CC)CNC(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C ZINC000415782236 289136884 /nfs/dbraw/zinc/13/68/84/289136884.db2.gz DSKHVTXFPVEFHX-INIZCTEOSA-N 2 0 318.465 2.875 20 0 DFADRP CCCC[C@@H](C[NH3+])NC(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C ZINC000415783460 289136995 /nfs/dbraw/zinc/13/69/95/289136995.db2.gz GDOLCHOJOHXKLW-DOTOQJQBSA-N 2 0 318.465 2.875 20 0 DFADRP CC(C)[C@](C)(C[NH3+])NC(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C ZINC000415792638 289138952 /nfs/dbraw/zinc/13/89/52/289138952.db2.gz SKELNRROFFKFGL-WMZOPIPTSA-N 2 0 318.465 2.730 20 0 DFADRP C[NH+](C)[C@H](CNC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1)C1CCCCC1 ZINC000237196758 289360324 /nfs/dbraw/zinc/36/03/24/289360324.db2.gz DVHFCEFZGKQFFF-XLAORIBOSA-N 2 0 321.509 2.534 20 0 DFADRP C[NH+]1CCC(O)(C[NH2+]C(c2ccccc2)c2ccccc2)CC1 ZINC000272430102 289888158 /nfs/dbraw/zinc/88/81/58/289888158.db2.gz NCZWCGJMBVUVBW-UHFFFAOYSA-N 2 0 310.441 2.822 20 0 DFADRP C[C@H](O)C[N@H+](C)C1CCN(c2cc[nH+]c3cc(F)ccc32)CC1 ZINC000436434728 297003291 /nfs/dbraw/zinc/00/32/91/297003291.db2.gz RQLZNQUCTJPERL-ZDUSSCGKSA-N 2 0 317.408 2.655 20 0 DFADRP C[C@@H]1C[N@H+](Cc2ccccc2)[C@H](C)CN1C[C@H]1CCC[NH2+]C1 ZINC000261774091 297027819 /nfs/dbraw/zinc/02/78/19/297027819.db2.gz DYQJCQXKAMGNDV-LMMKCTJWSA-N 2 0 301.478 2.581 20 0 DFADRP CC[NH+](CC)CCOCC[NH2+]Cc1ccc2nc(C)ccc2c1 ZINC000437956150 297075531 /nfs/dbraw/zinc/07/55/31/297075531.db2.gz RPYPECIFFAYZSG-UHFFFAOYSA-N 2 0 315.461 2.991 20 0 DFADRP CC[NH+](CC)Cc1cccc(C[NH2+][C@@H]2CCC(=O)NC2(C)C)c1 ZINC000494924034 299889515 /nfs/dbraw/zinc/88/95/15/299889515.db2.gz SJBLPJVOTKKOFY-QGZVFWFLSA-N 2 0 317.477 2.675 20 0 DFADRP COc1ccc(C[N@H+](CC2CC2)CC2CC[NH2+]CC2)c(OC)c1 ZINC000262045365 295126253 /nfs/dbraw/zinc/12/62/53/295126253.db2.gz YWNSSZKZLPHOEI-UHFFFAOYSA-N 2 0 318.461 2.915 20 0 DFADRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@H](C)c1ccc(F)c(OC)c1 ZINC000154184876 295294007 /nfs/dbraw/zinc/29/40/07/295294007.db2.gz YRASRIMEWMMLSY-UKRRQHHQSA-N 2 0 312.429 2.842 20 0 DFADRP CN1CC[NH+](CCCC[NH2+][C@@H](Cc2ccccc2)C2CC2)CC1 ZINC000154344246 295297747 /nfs/dbraw/zinc/29/77/47/295297747.db2.gz QZCFFXZYEZTOCB-FQEVSTJZSA-N 2 0 315.505 2.625 20 0 DFADRP COc1ccc([C@@H](C)[NH2+]CCCC[NH+]2CCN(C)CC2)c(F)c1 ZINC000154348157 295297927 /nfs/dbraw/zinc/29/79/27/295297927.db2.gz SQWOUWXNUMCVDI-OAHLLOKOSA-N 2 0 323.456 2.513 20 0 DFADRP CCC(C)(C)[C@H]1CCC[N@@H+]1CC(=O)NC1CC[NH+](C(C)C)CC1 ZINC000156978997 295343549 /nfs/dbraw/zinc/34/35/49/295343549.db2.gz SPLWATKZUPWQES-QGZVFWFLSA-N 2 0 323.525 2.876 20 0 DFADRP C[C@@H]1C[C@H](NC2CC[NH+](C3CCCCC3)CC2)C[N@@H+]1C1CC1 ZINC000157547392 295349812 /nfs/dbraw/zinc/34/98/12/295349812.db2.gz YOVJSIVZEPOSLO-WBVHZDCISA-N 2 0 305.510 2.998 20 0 DFADRP CC[C@@H]1C[NH+](CCCC[N@@H+]2C[C@H](C)O[C@@H](CC)C2)C[C@H](C)O1 ZINC000158091906 295358250 /nfs/dbraw/zinc/35/82/50/295358250.db2.gz SYZIPMKQUBECGI-XLAORIBOSA-N 2 0 312.498 2.765 20 0 DFADRP C[C@@H]([NH2+]C[C@H]1CCC[N@H+](C)C1)c1ccc(OCC[NH+](C)C)cc1 ZINC000158097667 295358367 /nfs/dbraw/zinc/35/83/67/295358367.db2.gz XHHSPDKBOANQNM-IAGOWNOFSA-N 3 0 319.493 2.619 20 0 DFADRP C[C@H]([NH2+]C[C@@H]1CCC[N@H+](C)C1)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000158128826 295358590 /nfs/dbraw/zinc/35/85/90/295358590.db2.gz UNGWTGMXTXNCBG-KBPBESRZSA-N 2 0 315.461 2.909 20 0 DFADRP COc1ccc([C@@H](C)[NH2+]C[C@H]2CCC[N@H+](C)C2)cc1NC(C)=O ZINC000158217693 295360212 /nfs/dbraw/zinc/36/02/12/295360212.db2.gz SLPIWHPDRJSDDO-UKRRQHHQSA-N 2 0 319.449 2.646 20 0 DFADRP CCC[C@H]([NH2+]CCCC[N@@H+]1CCC[C@@H]1CO)c1ccccn1 ZINC000159090221 295371701 /nfs/dbraw/zinc/37/17/01/295371701.db2.gz ADXMFXVSVAMXLU-SJORKVTESA-N 2 0 305.466 2.749 20 0 DFADRP CC[C@H](C)[C@@H]([NH3+])C(=O)NC1CC[NH+](C2CCC(C)CC2)CC1 ZINC000370763276 295462787 /nfs/dbraw/zinc/46/27/87/295462787.db2.gz HXKDXLMAYQBLQD-UMAGBFNSSA-N 2 0 309.498 2.519 20 0 DFADRP C[C@H]1CC[C@H]([NH2+]CC2(O)CC[NH+](Cc3ccccc3)CC2)C1 ZINC000397489857 295487970 /nfs/dbraw/zinc/48/79/70/295487970.db2.gz HHKCPTOOVSWZJH-WMZOPIPTSA-N 2 0 302.462 2.792 20 0 DFADRP CC[NH+]1CCC(NC(=O)C[NH2+][C@@H]2C[C@@H](C)CC[C@@H]2C(C)C)CC1 ZINC000411484317 295542200 /nfs/dbraw/zinc/54/22/00/295542200.db2.gz DTCBQAXUQCAOJV-CGTJXYLNSA-N 2 0 323.525 2.637 20 0 DFADRP CC(CC[NH2+][C@@H]1CCOC1(C)C)CC[NH2+][C@@H]1CCOC1(C)C ZINC000411775200 295558479 /nfs/dbraw/zinc/55/84/79/295558479.db2.gz RCRCLODQAFQAGM-HZPDHXFCSA-N 2 0 312.498 2.717 20 0 DFADRP CC1CC[NH+](C[C@H](O)C[NH2+][C@@H]2CCC[C@@H](C(F)(F)F)C2)CC1 ZINC000438212676 297084770 /nfs/dbraw/zinc/08/47/70/297084770.db2.gz XOGBFKLXMSQVJP-RBSFLKMASA-N 2 0 322.415 2.790 20 0 DFADRP c1ccc(CC[N@H+]2CC[C@H](C[NH2+]CC[C@@H]3CCOC3)C2)cc1 ZINC000438218154 297085138 /nfs/dbraw/zinc/08/51/38/297085138.db2.gz XWWOCRHVKHWNAE-RTBURBONSA-N 2 0 302.462 2.567 20 0 DFADRP C[C@H](CNC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1)[NH+]1CCC[C@@H](C)C1 ZINC000438545109 297097907 /nfs/dbraw/zinc/09/79/07/297097907.db2.gz LKVBYHFSPKBDKN-NUJGCVRESA-N 2 0 321.509 2.630 20 0 DFADRP Cc1ccc(C)c([C@H](C)[NH2+]CCN2CC[N@H+](C)C(C)(C)C2)c1 ZINC000442879571 297209192 /nfs/dbraw/zinc/20/91/92/297209192.db2.gz WVLHDXKROQHVMJ-KRWDZBQOSA-N 2 0 303.494 2.980 20 0 DFADRP [NH3+]CC[C@H]1CCC[N@H+](Cc2cnc(-c3ccncc3)s2)C1 ZINC000442918244 297211094 /nfs/dbraw/zinc/21/10/94/297211094.db2.gz GKZBLRRGMXYVBE-CYBMUJFWSA-N 2 0 302.447 2.766 20 0 DFADRP [NH3+]CC[C@H]1CCC[N@H+](Cc2cnc(-c3ccccn3)s2)C1 ZINC000442917040 297211111 /nfs/dbraw/zinc/21/11/11/297211111.db2.gz BPCCCRJKBDRCCU-CYBMUJFWSA-N 2 0 302.447 2.766 20 0 DFADRP Cn1c2ccc(Cl)cc2nc1C[N@@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000442922592 297211290 /nfs/dbraw/zinc/21/12/90/297211290.db2.gz PCHNIHYEHZMNQK-LBPRGKRZSA-N 2 0 306.841 2.788 20 0 DFADRP Cc1ccc(NC(=O)[C@@H](C)[N@@H+]2CCC[C@H](CC[NH3+])C2)cc1C ZINC000443061953 297214355 /nfs/dbraw/zinc/21/43/55/297214355.db2.gz SOWLMBTWVLSRKO-HZPDHXFCSA-N 2 0 303.450 2.691 20 0 DFADRP CO[C@@H]1CC[N@H+](Cc2cn(-c3cc[nH+]cc3)nc2C)[C@H](C)C1 ZINC000443075768 297215388 /nfs/dbraw/zinc/21/53/88/297215388.db2.gz VXIZFMUXAKSWQF-CXAGYDPISA-N 2 0 300.406 2.575 20 0 DFADRP COC(=O)C[C@@H]([NH2+]CCC[NH+]1CCCCC1)C1CCCCC1 ZINC000444613427 297241487 /nfs/dbraw/zinc/24/14/87/297241487.db2.gz XQQJSUQWSGSMRI-QGZVFWFLSA-N 2 0 310.482 2.964 20 0 DFADRP COC(=O)[C@@H]1CCCCCC[C@H]1[NH2+]CCC[NH+]1CCCCC1 ZINC000444640397 297242788 /nfs/dbraw/zinc/24/27/88/297242788.db2.gz CUUBDCQSHJGDSK-IAGOWNOFSA-N 2 0 310.482 2.964 20 0 DFADRP CC[N@H+](CC(=O)NC1CC[NH+](C2CC2)CC1)[C@@H]1CCCC[C@@H]1C ZINC000444670162 297244182 /nfs/dbraw/zinc/24/41/82/297244182.db2.gz FIIUEDKABDVIHX-MAUKXSAKSA-N 2 0 321.509 2.630 20 0 DFADRP CC[N@H+](CC(=O)NC1CC[NH+](C2CC2)CC1)[C@H]1CCCC[C@H]1C ZINC000444670163 297244188 /nfs/dbraw/zinc/24/41/88/297244188.db2.gz FIIUEDKABDVIHX-QAPCUYQASA-N 2 0 321.509 2.630 20 0 DFADRP CCC(CC)(C[NH3+])C(=O)N[C@@H](C[NH3+])c1ccc2ccccc2c1 ZINC000447436977 297303807 /nfs/dbraw/zinc/30/38/07/297303807.db2.gz XUQXEGUZRONDHD-KRWDZBQOSA-N 2 0 313.445 2.721 20 0 DFADRP C[C@@](O)(C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)C1CC1 ZINC000447536291 297307266 /nfs/dbraw/zinc/30/72/66/297307266.db2.gz MFRZZNZQDSDZRE-IYWMVGAKSA-N 2 0 314.473 2.933 20 0 DFADRP COc1ccc2c(c1)C(C)(C)C[C@@H]2[NH2+]CCOCC[NH+](C)C ZINC000447597797 297310351 /nfs/dbraw/zinc/31/03/51/297310351.db2.gz GZEIXDMJRLUXJE-KRWDZBQOSA-N 2 0 306.450 2.585 20 0 DFADRP C[C@H](O)C[C@H](C)[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000447603795 297310609 /nfs/dbraw/zinc/31/06/09/297310609.db2.gz XSRTWAQJFREQBA-PLOWYNNNSA-N 2 0 302.462 2.931 20 0 DFADRP C[C@H](C[C@H](C)O)[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000447603796 297310692 /nfs/dbraw/zinc/31/06/92/297310692.db2.gz XSRTWAQJFREQBA-XWCCPHMRSA-N 2 0 302.462 2.931 20 0 DFADRP C[C@H](C[C@H](C)O)[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000447603793 297310748 /nfs/dbraw/zinc/31/07/48/297310748.db2.gz XSRTWAQJFREQBA-CGHHPOIWSA-N 2 0 302.462 2.931 20 0 DFADRP COC(=O)C1(C[N@@H+]2CCC[C@H](C[NH+]3CCCC[C@@H]3C)C2)CC1 ZINC000448524337 297341133 /nfs/dbraw/zinc/34/11/33/297341133.db2.gz HBLYNDAJHYVRQE-HOTGVXAUSA-N 2 0 308.466 2.526 20 0 DFADRP C[C@@H](Cc1ccccc1)[NH+]1CCC([NH2+]C[C@H]2CCOC2)CC1 ZINC000449079988 297402361 /nfs/dbraw/zinc/40/23/61/297402361.db2.gz RSDPBJWXNZKXGQ-FUHWJXTLSA-N 2 0 302.462 2.708 20 0 DFADRP C[NH2+][C@H](CC(C)(C)C)C(=O)NCc1ccc(F)c(C[NH+](C)C)c1 ZINC000449128607 297410284 /nfs/dbraw/zinc/41/02/84/297410284.db2.gz SROVECQWBOCJOL-MRXNPFEDSA-N 2 0 323.456 2.528 20 0 DFADRP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+][C@@H]2CCCC[C@@H]2O)CC1 ZINC000449136386 297411459 /nfs/dbraw/zinc/41/14/59/297411459.db2.gz AZAMAEBZGBSEEC-AHRSYUTCSA-N 2 0 316.489 2.975 20 0 DFADRP C[C@@H](Cc1ccccc1)[NH+]1CCC([NH2+]CCC2CC(O)C2)CC1 ZINC000449283305 297435953 /nfs/dbraw/zinc/43/59/53/297435953.db2.gz LDPFTGOSRFDFPV-VQSBYGRUSA-N 2 0 316.489 2.833 20 0 DFADRP C[C@@H]1NC(=O)CC[C@@H]1[NH2+]C1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC000449300743 297440357 /nfs/dbraw/zinc/44/03/57/297440357.db2.gz FKLBNTYXGBYRCN-HOCLYGCPSA-N 2 0 323.525 2.922 20 0 DFADRP C[NH+](C)C1(CNC(=O)C[C@@H]2CCCC[C@@H]2[NH3+])CCCCCC1 ZINC000449310111 297442694 /nfs/dbraw/zinc/44/26/94/297442694.db2.gz DSVRLXXSGDMRGE-HOTGVXAUSA-N 2 0 309.498 2.665 20 0 DFADRP C[C@@H]1C[NH2+]C[C@H]1C(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC000449329814 297446983 /nfs/dbraw/zinc/44/69/83/297446983.db2.gz PQLBIGGEQSMRCX-CRAIPNDOSA-N 2 0 315.461 2.509 20 0 DFADRP [NH3+][C@H]1CCCC[C@@H]1CC(=O)NCCCCC[NH+]1CCCCC1 ZINC000449352051 297452360 /nfs/dbraw/zinc/45/23/60/297452360.db2.gz RXYPHJPIUHXQMS-SJORKVTESA-N 2 0 309.498 2.666 20 0 DFADRP CC[NH+]1CCN(CC(C)(C)[NH2+]C[C@H]2C[C@@H]2c2ccccc2)CC1 ZINC000449744975 297525037 /nfs/dbraw/zinc/52/50/37/297525037.db2.gz KKTVSRHMZNVANZ-RTBURBONSA-N 2 0 315.505 2.796 20 0 DFADRP CC[NH+]1CCN(CC(C)(C)[NH2+]CCCc2ccccc2C)CC1 ZINC000451984385 297909073 /nfs/dbraw/zinc/90/90/73/297909073.db2.gz KYFIEEZWUIGQLL-UHFFFAOYSA-N 2 0 317.521 2.933 20 0 DFADRP CC[C@@H](C[NH2+][C@@H](C)Cc1cnccn1)N1CCc2ccccc2C1 ZINC000453084700 298060317 /nfs/dbraw/zinc/06/03/17/298060317.db2.gz WMFQCOSGDNNTGO-JXFKEZNVSA-N 2 0 324.472 2.834 20 0 DFADRP COCCC[NH+]1CCC([NH2+][C@H](C)CCCc2cccnc2)CC1 ZINC000453085280 298060714 /nfs/dbraw/zinc/06/07/14/298060714.db2.gz FYKJBIYRDKNUHB-QGZVFWFLSA-N 2 0 319.493 2.883 20 0 DFADRP CC[C@@H]([NH2+]Cc1ccnc(OCC[NH+](C)C)c1)c1ccncc1 ZINC000453175123 298068619 /nfs/dbraw/zinc/06/86/19/298068619.db2.gz LGYFJCOINIARSH-QGZVFWFLSA-N 2 0 314.433 2.658 20 0 DFADRP COC[C@H](C[NH2+][C@H]1CC[N@H+](C)C[C@@H]1C)c1ccc(Cl)cc1 ZINC000453313949 298082601 /nfs/dbraw/zinc/08/26/01/298082601.db2.gz DZGFTEDHBSZOOF-QRTARXTBSA-N 2 0 310.869 3.000 20 0 DFADRP CC[C@H]([NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)[C@@H](C)O ZINC000453334791 298084245 /nfs/dbraw/zinc/08/42/45/298084245.db2.gz JVQXCXCFCAMZFR-DBDQLMEASA-N 2 0 302.462 2.931 20 0 DFADRP CCC1(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)COC1 ZINC000453336546 298084361 /nfs/dbraw/zinc/08/43/61/298084361.db2.gz AHAQVQRQKIPRGJ-WMZOPIPTSA-N 2 0 302.462 2.913 20 0 DFADRP C[N@H+](CCCC[NH2+]C1CCN(c2nccs2)CC1)C1CC1 ZINC000453399814 298090553 /nfs/dbraw/zinc/09/05/53/298090553.db2.gz LOKKJCVGZJDHES-UHFFFAOYSA-N 2 0 308.495 2.576 20 0 DFADRP CCOC(=O)[C@@H]1CC[C@H]([NH2+]CCCC[N@H+](C)C2CC2)C[C@H]1C ZINC000453411660 298091521 /nfs/dbraw/zinc/09/15/21/298091521.db2.gz VWRAHJDPVKHOKD-HLLBOEOZSA-N 2 0 310.482 2.818 20 0 DFADRP Cc1cc(C)c(CNC(=O)N[C@H]2CC[N@@H+](C3CCCC3)C2)cn1 ZINC000454539063 298191884 /nfs/dbraw/zinc/19/18/84/298191884.db2.gz ISLMUPWWCANUSN-INIZCTEOSA-N 2 0 316.449 2.515 20 0 DFADRP CCCC[NH+]1CCC(NC(=O)N[C@@H](C)c2nccn2CC)CC1 ZINC000455467173 298364553 /nfs/dbraw/zinc/36/45/53/298364553.db2.gz MHXQWIQQUWOXNW-AWEZNQCLSA-N 2 0 321.469 2.528 20 0 DFADRP C[C@H]1CC[C@H](C)[NH+]1CC(=O)N(CC[NH+](C)C)Cc1ccsc1 ZINC000458195728 298881404 /nfs/dbraw/zinc/88/14/04/298881404.db2.gz CXXUMXFLXUCPMT-GJZGRUSLSA-N 2 0 323.506 2.511 20 0 DFADRP CC[C@H]([NH2+]C[C@H]([NH3+])C(C)C)[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000496050309 300012386 /nfs/dbraw/zinc/01/23/86/300012386.db2.gz SXYQBRPNMZUSNJ-SOUVJXGZSA-N 2 0 313.486 2.737 20 0 DFADRP CC[C@@H](NC[C@H]1CCC[NH2+]1)[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000496282755 300040558 /nfs/dbraw/zinc/04/05/58/300040558.db2.gz KJIDCCXPXJIZOW-RBSFLKMASA-N 2 0 311.470 2.506 20 0 DFADRP CC[NH+]1CCC(CC[NH2+]CCCNC(=O)OC(C)(C)C)CC1 ZINC000496318717 300046050 /nfs/dbraw/zinc/04/60/50/300046050.db2.gz BRCSYAOQNSDTSL-UHFFFAOYSA-N 2 0 313.486 2.613 20 0 DFADRP CC(C)(C)OC(=O)NCCC[NH2+]C1CC[NH+](C2CCC2)CC1 ZINC000496459492 300066502 /nfs/dbraw/zinc/06/65/02/300066502.db2.gz XMEIVSAXHURCBA-UHFFFAOYSA-N 2 0 311.470 2.508 20 0 DFADRP C[C@H](CCC[NH3+])[NH2+][C@H]1CCCN(C(=O)Oc2ccccc2)CC1 ZINC000496735946 300106386 /nfs/dbraw/zinc/10/63/86/300106386.db2.gz HWCSOLVFEMEFPJ-CVEARBPZSA-N 2 0 319.449 2.757 20 0 DFADRP CCOC(=O)N1CCC([NH2+][C@H](CCC[NH3+])c2ccccc2)CC1 ZINC000496983517 300142641 /nfs/dbraw/zinc/14/26/41/300142641.db2.gz ZAOATHOUJKPKCI-QGZVFWFLSA-N 2 0 319.449 2.677 20 0 DFADRP CC[C@H](C[NH2+][C@H]1CC[N@H+](CC)C[C@H]1C)NC(=O)OC(C)(C)C ZINC000497157758 300170298 /nfs/dbraw/zinc/17/02/98/300170298.db2.gz DNXRTLZBULUUBK-KFWWJZLASA-N 2 0 313.486 2.610 20 0 DFADRP CCC(CC)C[N@H+](CC)CN1C[C@@]2(C[NH+]3CCC2CC3)OC1=O ZINC000497219369 300179909 /nfs/dbraw/zinc/17/99/09/300179909.db2.gz GPKDPMSNOCOHPB-GOSISDBHSA-N 2 0 323.481 2.619 20 0 DFADRP C[C@H]1CCCC[C@H]1OCC[N@@H+]1CCC[C@@H](CN2CCOCC2)C1 ZINC000502940211 300218941 /nfs/dbraw/zinc/21/89/41/300218941.db2.gz PAUCQRMGEDRJGH-IPMKNSEASA-N 2 0 324.509 2.626 20 0 DFADRP C[C@H]1CCCC[C@@H]1OCC[N@@H+]1CCC[C@@H](CN2CCOCC2)C1 ZINC000502940212 300218956 /nfs/dbraw/zinc/21/89/56/300218956.db2.gz PAUCQRMGEDRJGH-OTWHNJEPSA-N 2 0 324.509 2.626 20 0 DFADRP O[C@H]1CC[C@H]([NH2+][C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)CC1 ZINC000507461404 300235548 /nfs/dbraw/zinc/23/55/48/300235548.db2.gz LUHLBRUZSLPQSK-WKWVNEEDSA-N 2 0 314.473 2.790 20 0 DFADRP C[C@H]1C[C@@H]([NH3+])CC[N@@H+]1CCC(=O)Nc1cccc2ccccc21 ZINC000514612103 300262883 /nfs/dbraw/zinc/26/28/83/300262883.db2.gz JTVWEUKZQYHQEW-HOCLYGCPSA-N 2 0 311.429 2.980 20 0 DFADRP CC(C)[C@H](CO)C[NH2+]CC(C)(C)C[N@H+](C)Cc1ccccc1 ZINC000514628265 300263177 /nfs/dbraw/zinc/26/31/77/300263177.db2.gz MBNCBDHLOYICGO-SFHVURJKSA-N 2 0 306.494 2.999 20 0 DFADRP [NH3+][C@H](CCC(=O)N1CCNCc2ccccc21)c1ccccc1 ZINC000514663127 300264890 /nfs/dbraw/zinc/26/48/90/300264890.db2.gz VABVUIPUYJLBTD-QGZVFWFLSA-N 2 0 309.413 2.603 20 0 DFADRP CC[N@H+](Cc1ccc(C(=O)NCCC[NH2+]C2CC2)cc1)C(C)C ZINC000514675419 300265939 /nfs/dbraw/zinc/26/59/39/300265939.db2.gz RPVYXFCHDJPGOX-UHFFFAOYSA-N 2 0 317.477 2.789 20 0 DFADRP C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC000514730208 300268470 /nfs/dbraw/zinc/26/84/70/300268470.db2.gz KAQGPIOSMKFHQZ-MAUKXSAKSA-N 2 0 321.509 2.582 20 0 DFADRP C[C@@H]1C[C@@H](C[N@@H+]2CC[C@@H](N(C)CCc3ccccc3)C2)CC[NH2+]1 ZINC000514734966 300269234 /nfs/dbraw/zinc/26/92/34/300269234.db2.gz QSKDCXAGILWNON-YZGWKJHDSA-N 2 0 315.505 2.623 20 0 DFADRP COCCCOc1cccc(C[NH+]2CCC(CC[NH3+])CC2)c1 ZINC000514733010 300269307 /nfs/dbraw/zinc/26/93/07/300269307.db2.gz GIBULQXKBPGLFN-UHFFFAOYSA-N 2 0 306.450 2.663 20 0 DFADRP C/C=C\c1ccc(NC(=O)N(CC[NH+](C)C)CC[NH+](C)C)cc1 ZINC000514961044 300282234 /nfs/dbraw/zinc/28/22/34/300282234.db2.gz DCXIWKGXUIVBDB-SREVYHEPSA-N 2 0 318.465 2.677 20 0 DFADRP Cc1nn(-c2ccccc2)cc1CCC[NH2+][C@@H]1CCC[C@@H]([NH3+])C1 ZINC000515074775 300289415 /nfs/dbraw/zinc/28/94/15/300289415.db2.gz YHVJTXMGJJNURU-QZTJIDSGSA-N 2 0 312.461 2.973 20 0 DFADRP Clc1cccc(-c2n[nH]cc2C[NH2+]CC[C@H]2CCC[NH2+]2)c1 ZINC000516632163 300352840 /nfs/dbraw/zinc/35/28/40/300352840.db2.gz RORDEIKYRUNNLJ-OAHLLOKOSA-N 2 0 304.825 2.962 20 0 DFADRP [NH3+][C@H]1CCC[C@@H]([NH2+]Cc2ccc(OCC[NH+]3CCCC3)cc2)C1 ZINC000516743575 300357884 /nfs/dbraw/zinc/35/78/84/300357884.db2.gz XDJOCOKMXQJOJH-ZWKOTPCHSA-N 3 0 317.477 2.521 20 0 DFADRP CC[C@]1(C(=O)NC[C@H](c2ccc(Cl)cc2)[NH+](C)C)CCC[NH2+]1 ZINC000516774318 300360012 /nfs/dbraw/zinc/36/00/12/300360012.db2.gz MNHIVUNBFVICRC-NVXWUHKLSA-N 2 0 323.868 2.591 20 0 DFADRP COc1ccc(C[C@H](C)C[NH2+][C@H](C)[C@@H]2CCC[NH2+]C2)cc1OC ZINC000516861233 300363889 /nfs/dbraw/zinc/36/38/89/300363889.db2.gz CKOJNTZZFKLCLG-ZMSDIMECSA-N 2 0 320.477 2.860 20 0 DFADRP Cc1ccc(C[NH2+][C@@H]2CCCC[C@@H]2C[NH3+])c(O[C@H]2CCOC2)c1 ZINC000517123100 300384087 /nfs/dbraw/zinc/38/40/87/300384087.db2.gz QQEZLVOEMZBBEG-BPQIPLTHSA-N 2 0 318.461 2.770 20 0 DFADRP C[C@@H]1CC[N@H+](CC(=O)Nc2ccc(CC[NH+]3CCCC3)cc2)C1 ZINC000517245290 300390220 /nfs/dbraw/zinc/39/02/20/300390220.db2.gz WDBQJGXWEPIRPN-MRXNPFEDSA-N 2 0 315.461 2.605 20 0 DFADRP COc1cc(C)c(C[C@@H](C)[NH2+]CCC[NH2+]C(C)C)cc1OC ZINC000519138306 300444946 /nfs/dbraw/zinc/44/49/46/300444946.db2.gz SFWFCLWSEIVNMA-OAHLLOKOSA-N 2 0 308.466 2.921 20 0 DFADRP Fc1ccc([C@@H](C[C@@H]2CCOC2)[NH2+]CC2CC[NH2+]CC2)cc1 ZINC000519537634 300456597 /nfs/dbraw/zinc/45/65/97/300456597.db2.gz HNAWXUDNLLZLSP-MAUKXSAKSA-N 2 0 306.425 2.883 20 0 DFADRP [NH3+][C@@H]1CCC[C@H]([NH2+][C@@H]2CCN(c3ccc(F)c(Cl)c3)C2)C1 ZINC000521899484 300541144 /nfs/dbraw/zinc/54/11/44/300541144.db2.gz YDPXTVKHGOKSST-FRRDWIJNSA-N 2 0 311.832 2.917 20 0 DFADRP Cc1noc(C2CCC([NH2+][C@@H]3CCC[C@@H]3[C@@H]3CCC[NH2+]3)CC2)n1 ZINC000521993215 300544216 /nfs/dbraw/zinc/54/42/16/300544216.db2.gz SEBCNRXCDWAKKW-GADNRMJZSA-N 2 0 318.465 2.915 20 0 DFADRP CCc1ccc(CC[NH+]2CCC(C[NH+]3CCOCC3)CC2)cc1 ZINC000523775341 300571013 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DFADRP C[C@H]1CC[NH2+]CC[C@H]1[NH2+]CCc1cccc2c1OC(F)(F)O2 ZINC000530216211 301029812 /nfs/dbraw/zinc/02/98/12/301029812.db2.gz OAVPBOIGHUSTCT-WCQYABFASA-N 2 0 312.360 2.528 20 0 DFADRP CCC(F)(F)C(C)(C)C[NH2+][C@@H]1CCOC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000530219702 301030903 /nfs/dbraw/zinc/03/09/03/301030903.db2.gz QAWBHZLFQHEFMM-MELADBBJSA-N 2 0 304.425 2.805 20 0 DFADRP COc1ccc(CC[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)cn1 ZINC000530223301 301031883 /nfs/dbraw/zinc/03/18/83/301031883.db2.gz SYRWQBAKNJXXLR-YESZJQIVSA-N 2 0 303.450 2.533 20 0 DFADRP c1cc2c(cc1N[C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1)OCC[NH2+]C2 ZINC000530247331 301033832 /nfs/dbraw/zinc/03/38/32/301033832.db2.gz QFKUDZKDNSOUHZ-YESZJQIVSA-N 2 0 301.434 2.501 20 0 DFADRP C[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]CCc2cncn2C)CC1 ZINC000530513256 301052834 /nfs/dbraw/zinc/05/28/34/301052834.db2.gz XNWBXZBJWVWOLJ-QAPCUYQASA-N 2 0 304.482 2.595 20 0 DFADRP CC[NH+]1CCN(c2ccc(C[NH2+][C@@H](C)c3ccoc3)cn2)CC1 ZINC000531682195 301103691 /nfs/dbraw/zinc/10/36/91/301103691.db2.gz MBFFIVSEYAOLOC-HNNXBMFYSA-N 2 0 314.433 2.667 20 0 DFADRP OC1(C(F)(F)F)CCC([NH2+]C2CC[NH+](C3CCC3)CC2)CC1 ZINC000531693354 301104058 /nfs/dbraw/zinc/10/40/58/301104058.db2.gz LFYAWKXYDKXNRS-UHFFFAOYSA-N 2 0 320.399 2.829 20 0 DFADRP CCC[N@@H+]1CC[C@@H](C[NH2+][C@H](C)c2ccc3c(c2)CCC(=O)N3)C1 ZINC000531701606 301104788 /nfs/dbraw/zinc/10/47/88/301104788.db2.gz AMEZCBIBKPHRQJ-CABCVRRESA-N 2 0 315.461 2.954 20 0 DFADRP COc1cccc(CC[NH2+][C@@H]2C[C@H](C)[N@H+](C)C[C@H]2C)c1OC ZINC000531955355 301120967 /nfs/dbraw/zinc/12/09/67/301120967.db2.gz OWIWSCRLZBNJNZ-IJEWVQPXSA-N 2 0 306.450 2.565 20 0 DFADRP CCC[N@@H+]1CC[C@@H](C[NH2+]C2CCC(O)(C(F)(F)F)CC2)C1 ZINC000531956376 301120972 /nfs/dbraw/zinc/12/09/72/301120972.db2.gz BSRHEINAQSEXEW-HSBZDZAISA-N 2 0 308.388 2.544 20 0 DFADRP C[C@@H]1CC[N@H+](CCNC2CC[NH+]([C@H]3CCCC[C@H]3C)CC2)C1 ZINC000531984234 301123066 /nfs/dbraw/zinc/12/30/66/301123066.db2.gz POAXBUUFVAYHEZ-LMMKCTJWSA-N 2 0 307.526 2.961 20 0 DFADRP C[C@@H]1CCCCN1CC[NH2+]C1CCC(O)(C(F)(F)F)CC1 ZINC000532202669 301136588 /nfs/dbraw/zinc/13/65/88/301136588.db2.gz VMQDDCXGFNWHMX-IYXRBSQSSA-N 2 0 308.388 2.686 20 0 DFADRP C[C@H]([NH2+]CCCCn1ccnc1)c1ccc([S@](C)=O)cc1 ZINC000532448927 301152803 /nfs/dbraw/zinc/15/28/03/301152803.db2.gz VVJBWELGZNKTOM-QKKBWIMNSA-N 2 0 305.447 2.752 20 0 DFADRP C[C@@H](N[C@@H](CN1CC[NH+](C)CC1)c1ccccc1)c1ccco1 ZINC000532481184 301154650 /nfs/dbraw/zinc/15/46/50/301154650.db2.gz TWUSZIRJKLWMKZ-AEFFLSMTSA-N 2 0 313.445 2.919 20 0 DFADRP Cc1nc(C[N@H+]2CC[C@H](c3nccn3C)C2)nc2ccccc12 ZINC000533865639 301214796 /nfs/dbraw/zinc/21/47/96/301214796.db2.gz UUGSEBDQHCWKGA-AWEZNQCLSA-N 2 0 307.401 2.661 20 0 DFADRP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@@H](C)c1ccc(Cl)c(F)c1 ZINC000535777335 301260408 /nfs/dbraw/zinc/26/04/08/301260408.db2.gz AYNGOPUOIYVMCG-OLZOCXBDSA-N 2 0 313.848 2.766 20 0 DFADRP C[NH+]1CCN(CCC[NH2+][C@H]2CCCc3ccc(Cl)cc32)CC1 ZINC000536492103 301275937 /nfs/dbraw/zinc/27/59/37/301275937.db2.gz MUKBNEIMICEHPB-SFHVURJKSA-N 2 0 321.896 2.945 20 0 DFADRP c1nc2cc(C[NH2+]CC3CCN(c4cc[nH+]cc4)CC3)ccc2[nH]1 ZINC000540067901 301357204 /nfs/dbraw/zinc/35/72/04/301357204.db2.gz DCOMUBLMRNNHKM-UHFFFAOYSA-N 2 0 321.428 2.964 20 0 DFADRP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+]Cc1ccc2c(c1)COC2 ZINC000541382780 301385900 /nfs/dbraw/zinc/38/59/00/301385900.db2.gz CNHWLAYGFGXDNI-UHFFFAOYSA-N 2 0 320.396 2.896 20 0 DFADRP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+][C@]1(C)CCO[C@@H]1C1CC1 ZINC000541384533 301385939 /nfs/dbraw/zinc/38/59/39/301385939.db2.gz VEPBQARATMWDDX-QZTJIDSGSA-N 2 0 312.417 2.623 20 0 DFADRP COC1CCC(C[NH2+]Cc2cn(-c3cc[nH+]cc3)nc2C)CC1 ZINC000543177993 301426223 /nfs/dbraw/zinc/42/62/23/301426223.db2.gz ZWNSMKHIFPOLOI-UHFFFAOYSA-N 2 0 314.433 2.871 20 0 DFADRP C[C@@H]1CC[C@@H](C)[NH+]1[C@@H]1CCCN(C(=O)CCCC[NH+](C)C)C1 ZINC000552554777 301694936 /nfs/dbraw/zinc/69/49/36/301694936.db2.gz VDGOHWWMKZSGFY-BRWVUGGUSA-N 2 0 309.498 2.582 20 0 DFADRP C[NH2+]Cc1ccccc1NC(=O)NC1CC[NH+](C2CCC2)CC1 ZINC000561055622 301920985 /nfs/dbraw/zinc/92/09/85/301920985.db2.gz NSDZUGOOXKZYQT-UHFFFAOYSA-N 2 0 316.449 2.544 20 0 DFADRP COC1(C)CC[NH+](CCCC[NH+]2CCC(C)(OC)CC2)CC1 ZINC000561189076 301927050 /nfs/dbraw/zinc/92/70/50/301927050.db2.gz HVUQKGVKJRDSAG-UHFFFAOYSA-N 2 0 312.498 2.768 20 0 DFADRP C[C@H](CN(CC[NH+](C)C)CC[NH+](C)C)c1cccc(Cl)c1 ZINC000561971302 301947172 /nfs/dbraw/zinc/94/71/72/301947172.db2.gz KZWOGVHWQJTGMK-OAHLLOKOSA-N 2 0 311.901 2.869 20 0 DFADRP CCc1ccccc1NC(=O)C[C@H](C)[NH2+]CC1CC[NH2+]CC1 ZINC000562956154 302017268 /nfs/dbraw/zinc/01/72/68/302017268.db2.gz GPLSTVNBWQCMGL-AWEZNQCLSA-N 2 0 303.450 2.555 20 0 DFADRP C[C@H]1CC[NH2+]CC[C@H]1[NH2+]Cc1ccc(OCC(F)(F)F)nc1 ZINC000562958453 302017922 /nfs/dbraw/zinc/01/79/22/302017922.db2.gz HXSHBURRVULXON-WCQYABFASA-N 2 0 317.355 2.500 20 0 DFADRP c1ccc(C[N@H+]2CCC[C@@H]3CN(Cc4cnccn4)CC[C@H]32)cc1 ZINC000563090968 302036647 /nfs/dbraw/zinc/03/66/47/302036647.db2.gz IIICJVUYZSVDDE-UYAOXDASSA-N 2 0 322.456 2.963 20 0 DFADRP CC(C)CC[N@@H+]1Cc2cccc(NC(=O)[C@@H]3CC[NH2+][C@H]3C)c2C1 ZINC000563203136 302048755 /nfs/dbraw/zinc/04/87/55/302048755.db2.gz OHAGAQGARSMBPH-GOEBONIOSA-N 2 0 315.461 2.985 20 0 DFADRP CC[NH+](CC)CCN(CC(C)C)C(=O)C[C@@H](C)n1ccnc1 ZINC000563222032 302052165 /nfs/dbraw/zinc/05/21/65/302052165.db2.gz IBDRXCXNHYBBNX-MRXNPFEDSA-N 2 0 308.470 2.661 20 0 DFADRP C[C@H](O)C[N@H+](Cc1ccccc1)Cc1ccc2c(c1)C[NH2+]CC2 ZINC000563271556 302056414 /nfs/dbraw/zinc/05/64/14/302056414.db2.gz WUZINRGTJRFOOU-INIZCTEOSA-N 2 0 310.441 2.715 20 0 DFADRP [NH3+][C@@H]1CCC[C@H]([NH2+]Cc2ccc(C(=O)N3CCCCC3)cc2)C1 ZINC000563424711 302071063 /nfs/dbraw/zinc/07/10/63/302071063.db2.gz LMBAGNKOSCEUGM-MSOLQXFVSA-N 2 0 315.461 2.672 20 0 DFADRP C[C@@H]1C[N@@H+](CCSCC[NH+](C)Cc2ccccc2)C[C@H](C)O1 ZINC000563437747 302072588 /nfs/dbraw/zinc/07/25/88/302072588.db2.gz BTFSZRUOEWRLFQ-CALCHBBNSA-N 2 0 322.518 2.961 20 0 DFADRP COc1cc(F)c([C@H](C)NCc2cnc(C)n2C)cc1OC ZINC000563439884 302073144 /nfs/dbraw/zinc/07/31/44/302073144.db2.gz JHDAYZAJLYKYFS-JTQLQIEISA-N 2 0 307.369 2.736 20 0 DFADRP CCN(C[C@@H]1CCC[N@@H+]1CC)C(=O)[C@H](C)[NH+]1[C@@H](C)CC[C@@H]1C ZINC000563492003 302076898 /nfs/dbraw/zinc/07/68/98/302076898.db2.gz CJOWTQBCWDYXPB-QAETUUGQSA-N 2 0 309.498 2.581 20 0 DFADRP C[C@@H](C[NH2+][C@H]1CCC[NH2+]CC1)c1nc(-c2ccccc2)no1 ZINC000563804428 302099302 /nfs/dbraw/zinc/09/93/02/302099302.db2.gz FWSJJKLFJQJIFZ-ZFWWWQNUSA-N 2 0 300.406 2.572 20 0 DFADRP C[C@H](CCc1n[nH]c2ccccc21)[NH2+][C@H]1CCc2nc[nH]c2C1 ZINC000564615979 302144340 /nfs/dbraw/zinc/14/43/40/302144340.db2.gz MMIBTWWWOGZXLW-OLZOCXBDSA-N 2 0 309.417 2.754 20 0 DFADRP C[C@@H]([NH2+]C[C@H]1CC[N@@H+](C2CC2)C1)c1cncc(Br)c1 ZINC000564742286 302156011 /nfs/dbraw/zinc/15/60/11/302156011.db2.gz YBPTUXHOFGGWQH-VXGBXAGGSA-N 2 0 324.266 2.979 20 0 DFADRP Cc1c([C@@H](C)[NH2+]CC[C@H]2CC[NH2+]C2)nnn1-c1ccc(C)cc1 ZINC000564821887 302161012 /nfs/dbraw/zinc/16/10/12/302161012.db2.gz ABIZQJDFENBSSI-GDBMZVCRSA-N 2 0 313.449 2.534 20 0 DFADRP COc1ccc(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)cc1O ZINC000564825794 302161615 /nfs/dbraw/zinc/16/16/15/302161615.db2.gz HTEOGUXBKWNIOY-OWCLPIDISA-N 2 0 304.434 2.801 20 0 DFADRP Cc1ccc(OC[C@H](O)C[NH2+]C2CCC([NH+](C)C)CC2)c(C)c1 ZINC000564855737 302165190 /nfs/dbraw/zinc/16/51/90/302165190.db2.gz HXONYKWPJSIRGM-DAWZGUTISA-N 2 0 320.477 2.506 20 0 DFADRP C[C@H](CC[NH+](C)C)[NH2+]C[C@@H](O)COc1ccc2ccccc2c1 ZINC000564857304 302165295 /nfs/dbraw/zinc/16/52/95/302165295.db2.gz SGCIRJMCEFCCIN-CRAIPNDOSA-N 2 0 316.445 2.509 20 0 DFADRP Fc1ccc(CC[NH2+]Cc2cc(C3CC[NH2+]CC3)no2)cc1F ZINC000564888446 302169276 /nfs/dbraw/zinc/16/92/76/302169276.db2.gz PPAAJSRHVDLPJH-UHFFFAOYSA-N 2 0 321.371 2.752 20 0 DFADRP CC[NH2+]Cc1ccccc1NC(=O)[C@@H]1C[NH2+]Cc2ccccc21 ZINC000564982950 302179151 /nfs/dbraw/zinc/17/91/51/302179151.db2.gz DKYYUKWKBHTXIM-QGZVFWFLSA-N 2 0 309.413 2.622 20 0 DFADRP CC(C)c1[nH+]c(CN2CC[C@@H]3CC[N@H+](C)C[C@@H]32)c2ccccn21 ZINC000565083374 302192546 /nfs/dbraw/zinc/19/25/46/302192546.db2.gz NGZHZAWMFHAUGU-YJBOKZPZSA-N 2 0 312.461 2.984 20 0 DFADRP Cn1c2ccc(NC(=O)CC[NH2+]C3CC3)cc2nc1C(C)(C)C ZINC000565213637 302208053 /nfs/dbraw/zinc/20/80/53/302208053.db2.gz MMNOSYCXNWOOQW-UHFFFAOYSA-N 2 0 314.433 2.951 20 0 DFADRP C[NH+](C)C1CCC([NH2+]C[C@@H](O)Cc2cccc(Cl)c2)CC1 ZINC000565298892 302216401 /nfs/dbraw/zinc/21/64/01/302216401.db2.gz AWOYXQGUTLNBBW-JCYILVPMSA-N 2 0 310.869 2.706 20 0 DFADRP CC[C@H](C[NH2+][C@@H]1CCC[C@H]([NH3+])C1)N1CCc2ccccc2C1 ZINC000565491840 302227606 /nfs/dbraw/zinc/22/76/06/302227606.db2.gz RVHUEYMUXSVCFU-IPMKNSEASA-N 2 0 301.478 2.683 20 0 DFADRP [NH3+]C1C[C@H]2CCC[C@@H](C1)C2[NH2+]C1CCN(c2ccccn2)CC1 ZINC000565704372 302238821 /nfs/dbraw/zinc/23/88/21/302238821.db2.gz FGSSDJQKDVQNNL-JOUKPKRSSA-N 2 0 314.477 2.546 20 0 DFADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+][C@H]1CCCC12CCOCC2 ZINC000565827554 302243979 /nfs/dbraw/zinc/24/39/79/302243979.db2.gz BIXYFYZUJJPSMX-PBHICJAKSA-N 2 0 303.450 2.849 20 0 DFADRP Cc1cccc(NC(=O)C[C@H](C)[NH2+][C@H](C)[C@@H]2CCC[NH2+]C2)c1 ZINC000566087972 302258088 /nfs/dbraw/zinc/25/80/88/302258088.db2.gz IJZCIOSTTMHMEC-ARFHVFGLSA-N 2 0 303.450 2.690 20 0 DFADRP CCOC(=O)C1([C@@H](C)[NH2+][C@@H](C)Cc2ccsc2)CC[NH2+]CC1 ZINC000566089157 302258519 /nfs/dbraw/zinc/25/85/19/302258519.db2.gz AHQNQOOHPQONPF-UONOGXRCSA-N 2 0 324.490 2.590 20 0 DFADRP C[C@@H]1CCC[N@H+](CCCC[NH2+]C[C@H](O)Cc2ccc(F)cc2)C1 ZINC000566106172 302260294 /nfs/dbraw/zinc/26/02/94/302260294.db2.gz IXDNPPJPEIFRFB-VQIMIIECSA-N 2 0 322.468 2.831 20 0 DFADRP CC(C)CCC[C@H](C)NC(=O)C[NH+]1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000566243393 302269545 /nfs/dbraw/zinc/26/95/45/302269545.db2.gz UNXWGMIAJQBJHB-WMZOPIPTSA-N 2 0 323.525 2.639 20 0 DFADRP O[C@@H]1CCCC[C@H]1C[N@H+]1C[C@@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000566306611 302277984 /nfs/dbraw/zinc/27/79/84/302277984.db2.gz UFSXUGWQGYCMEP-VNTMZGSJSA-N 2 0 314.473 2.601 20 0 DFADRP C[C@@H](CC(=O)NCCCCC[NH+]1CCCCC1)n1ccnc1 ZINC000566309009 302278392 /nfs/dbraw/zinc/27/83/92/302278392.db2.gz WGTMTXAIOMSGNW-INIZCTEOSA-N 2 0 306.454 2.607 20 0 DFADRP C[C@@H]1C[C@@H]([NH3+])CC[N@@H+]1Cc1cccc(OCC(F)(F)F)c1 ZINC000566412607 302284628 /nfs/dbraw/zinc/28/46/28/302284628.db2.gz XVQABMNMIKLCEM-YPMHNXCESA-N 2 0 302.340 2.939 20 0 DFADRP C[C@H]1C[C@H]([NH3+])CC[N@@H+]1Cc1cccc(OCC(F)(F)F)c1 ZINC000566412605 302284668 /nfs/dbraw/zinc/28/46/68/302284668.db2.gz XVQABMNMIKLCEM-WCQYABFASA-N 2 0 302.340 2.939 20 0 DFADRP Cc1ccc([C@H](C[NH2+]C[C@@H](O)COC(C)C)N2CCCC2)cc1 ZINC000566733514 302307957 /nfs/dbraw/zinc/30/79/57/302307957.db2.gz VIYJMOWRIOGQBB-MOPGFXCFSA-N 2 0 320.477 2.507 20 0 DFADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+][C@@H]1[C@@H]2CCO[C@H]2C12CCCC2 ZINC000567102853 302335498 /nfs/dbraw/zinc/33/54/98/302335498.db2.gz XKNRRFWTCUNCEV-VIBAHUMZSA-N 2 0 315.461 2.847 20 0 DFADRP CN1CC[C@@H]([NH2+]Cc2ccc3c(c2)C[NH2+]CC3)[C@@H]1c1ccccc1 ZINC000567478294 302362490 /nfs/dbraw/zinc/36/24/90/302362490.db2.gz NSCXZNXNEDQTND-RTWAWAEBSA-N 2 0 321.468 2.867 20 0 DFADRP CCn1ccnc1[C@H]1OCC[C@@H]1[NH2+][C@H](C)C[C@H]1CCCCC[NH2+]1 ZINC000567589594 302370672 /nfs/dbraw/zinc/37/06/72/302370672.db2.gz QBUODADBVNSPOL-NCOADZHNSA-N 2 0 320.481 2.633 20 0 DFADRP C[C@H](CC(=O)Nc1ccc(F)cc1)[NH2+]Cc1ccc(C[NH3+])cc1 ZINC000567613107 302373250 /nfs/dbraw/zinc/37/32/50/302373250.db2.gz NMDGXAWNLUOEPB-CYBMUJFWSA-N 2 0 315.392 2.791 20 0 DFADRP C[C@H]([NH2+][C@@H]1CCN(c2cccc(Cl)c2)C1)[C@H]1CCC[NH2+]C1 ZINC000567641190 302375725 /nfs/dbraw/zinc/37/57/25/302375725.db2.gz KHMJRKMZEIJEMZ-OFQRWUPVSA-N 2 0 307.869 2.896 20 0 DFADRP C[C@@H]([NH2+][C@@H](C)c1ccc(NC(=O)C2CC2)cc1)[C@H]1CC[NH2+]C1 ZINC000567641509 302375765 /nfs/dbraw/zinc/37/57/65/302375765.db2.gz FNGCPELJENPYGO-ZENOOKHLSA-N 2 0 301.434 2.684 20 0 DFADRP CC(C)OCC[C@H](O)C[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000567684421 302379609 /nfs/dbraw/zinc/37/96/09/302379609.db2.gz ITOKNDWAXKEKGL-SFHVURJKSA-N 2 0 312.498 2.549 20 0 DFADRP [NH3+][C@H]1CCC[C@@H]([NH2+]CC2CC[NH+](Cc3cccs3)CC2)C1 ZINC000568664643 302468812 /nfs/dbraw/zinc/46/88/12/302468812.db2.gz XHJDECORRDDBIP-JKSUJKDBSA-N 3 0 307.507 2.820 20 0 DFADRP [NH3+][C@@H]1CCC[C@H]([NH2+]CCc2nc(-c3ccccn3)cs2)C1 ZINC000569355415 302514403 /nfs/dbraw/zinc/51/44/03/302514403.db2.gz LBBIYLFXZBXBDP-OLZOCXBDSA-N 2 0 302.447 2.607 20 0 DFADRP CC[C@@H]([NH2+][C@H](CN1CC[NH+](C)CC1)c1ccccc1)C(C)C ZINC000569541967 302523962 /nfs/dbraw/zinc/52/39/62/302523962.db2.gz SFOLTAMAMXKYKS-RTBURBONSA-N 2 0 303.494 2.999 20 0 DFADRP O=C([C@H]1CCCCC[NH2+]1)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000569608578 302528687 /nfs/dbraw/zinc/52/86/87/302528687.db2.gz KPAITGHMDSGPNO-QZTJIDSGSA-N 2 0 321.509 2.633 20 0 DFADRP C[C@H](C[NH+]1CCC(C)CC1)NC(=O)Nc1ccc2c(c1)C[NH2+]C2 ZINC000570867473 302595901 /nfs/dbraw/zinc/59/59/01/302595901.db2.gz KBNCQNKLYADNBU-CQSZACIVSA-N 2 0 316.449 2.532 20 0 DFADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+][C@@H](c1ncc[nH]1)c1ccc(F)cc1 ZINC000571789375 302633457 /nfs/dbraw/zinc/63/34/57/302633457.db2.gz UIBAIFAQONVUME-WICCELJUSA-N 2 0 314.408 2.744 20 0 DFADRP CCC[NH+]1CCC(C[NH2+]CCC(=O)Nc2ccccc2)CC1 ZINC000572112735 302643613 /nfs/dbraw/zinc/64/36/13/302643613.db2.gz XUUUOWHIGXUYRK-UHFFFAOYSA-N 2 0 303.450 2.727 20 0 DFADRP c1c(C[NH2+][C@@H]2CCOC[C@@H]2[C@@H]2CCC[NH2+]2)sc2c1CCCC2 ZINC000572593264 302671085 /nfs/dbraw/zinc/67/10/85/302671085.db2.gz AATAHTVVQHXHRQ-IXDOHACOSA-N 2 0 320.502 2.874 20 0 DFADRP C[C@H]([NH2+][C@@H]1CC[NH2+][C@H](C)C1)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000573831628 302726336 /nfs/dbraw/zinc/72/63/36/302726336.db2.gz DMYCZIHPOSMDPT-MBNYWOFBSA-N 2 0 301.434 2.707 20 0 DFADRP Cc1cccc(NC(=O)C[C@H](C)[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000574031717 302736747 /nfs/dbraw/zinc/73/67/47/302736747.db2.gz QQGRSINATPRQET-UIBIWLFHSA-N 2 0 315.461 2.690 20 0 DFADRP COc1ccc(C[NH+]2CCC([C@@H]3OCCC[C@@H]3[NH3+])CC2)c(F)c1 ZINC000574044626 302737736 /nfs/dbraw/zinc/73/77/36/302737736.db2.gz JIRVFLHOMBPMAK-ROUUACIJSA-N 2 0 322.424 2.553 20 0 DFADRP CCO[C@H]1C[C@@H]([NH2+]Cc2ccccc2OCC[NH+](C)C)C1(C)C ZINC000181627217 316066100 /nfs/dbraw/zinc/06/61/00/316066100.db2.gz NAWQQRMDSHCQGU-MSOLQXFVSA-N 2 0 320.477 2.920 20 0 DFADRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@H]1C[C@H](OCC)C12CCCC2 ZINC000181875417 316076742 /nfs/dbraw/zinc/07/67/42/316076742.db2.gz LEURMSKCSJIKKW-IKGGRYGDSA-N 2 0 312.498 2.671 20 0 DFADRP CCOC(=O)[C@@H](CC(C)C)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000182192277 316089189 /nfs/dbraw/zinc/08/91/89/316089189.db2.gz HXKMPSVZCUHJDA-IAGOWNOFSA-N 2 0 310.482 2.772 20 0 DFADRP C[C@H](CCNC(=O)[C@@H](C)[NH+]1CCCCCC1)[NH+]1CCCCC1 ZINC000182224260 316090623 /nfs/dbraw/zinc/09/06/23/316090623.db2.gz GVQJBTSHOKOWFW-IAGOWNOFSA-N 2 0 309.498 2.632 20 0 DFADRP C[C@H](CCNC(=O)[C@H](C)[NH+]1[C@H](C)CC[C@H]1C)[NH+]1CCCCC1 ZINC000182918164 316123664 /nfs/dbraw/zinc/12/36/64/316123664.db2.gz AFMJVVWTXVHKMX-VQHPVUNQSA-N 2 0 309.498 2.628 20 0 DFADRP C[C@@H](CN1CC[NH+](C)CC1)[NH2+][C@@H](C)C12CC3CC(CC(C3)C1)C2 ZINC000185393211 316186060 /nfs/dbraw/zinc/18/60/60/316186060.db2.gz AHIGLOBHALZLQA-VPWCILEZSA-N 2 0 319.537 2.817 20 0 DFADRP CC(C)[C@H](C[NH2+]Cc1ccc2cc[nH]c2c1)N1CC[NH+](C)CC1 ZINC000322508203 316258305 /nfs/dbraw/zinc/25/83/05/316258305.db2.gz ICSOLHICRZNMFR-IBGZPJMESA-N 2 0 314.477 2.530 20 0 DFADRP CC(C)[C@@H](C[NH2+]Cc1ccc2cc[nH]c2c1)N1CC[NH+](C)CC1 ZINC000322508205 316258535 /nfs/dbraw/zinc/25/85/35/316258535.db2.gz ICSOLHICRZNMFR-LJQANCHMSA-N 2 0 314.477 2.530 20 0 DFADRP COc1ccc(C[NH2+][C@@H]2CCCC[C@H]2C[NH3+])c(Cl)c1OC ZINC000414792011 316658870 /nfs/dbraw/zinc/65/88/70/316658870.db2.gz BUEVUAOWEIXNEO-WCQYABFASA-N 2 0 312.841 2.964 20 0 DFADRP [NH3+]C[C@H]1CCC[C@H]1[NH2+]Cc1cccc(OCC(F)(F)F)c1 ZINC000414794833 316660599 /nfs/dbraw/zinc/66/05/99/316660599.db2.gz MGIREYYDDMCENS-TZMCWYRMSA-N 2 0 302.340 2.845 20 0 DFADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]Cc1cnc(-c2ccccn2)s1 ZINC000414812165 316665930 /nfs/dbraw/zinc/66/59/30/316665930.db2.gz WZGNFQHRVANNKO-JSGCOSHPSA-N 2 0 302.447 2.812 20 0 DFADRP COC(=O)c1ccc(C[NH+]2CCC(C[NH+](C)C)CC2)cc1Cl ZINC000450263532 317077697 /nfs/dbraw/zinc/07/76/97/317077697.db2.gz BZSKQXRZDNCXGZ-UHFFFAOYSA-N 2 0 324.852 2.900 20 0 DFADRP C[N@H+](CCO)C1CC[NH+](CC23CC4CC(CC(C4)C2)C3)CC1 ZINC000450371943 317086666 /nfs/dbraw/zinc/08/66/66/317086666.db2.gz LFLSRFVGQJOHHN-UHFFFAOYSA-N 2 0 306.494 2.591 20 0 DFADRP C[C@@H]1CC[C@H]([NH2+]CCCN2CC[NH+](C)CC2)c2sccc21 ZINC000453102117 317162732 /nfs/dbraw/zinc/16/27/32/317162732.db2.gz ZCHJWGGXLCXIFT-ZBFHGGJFSA-N 2 0 307.507 2.914 20 0 DFADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]CCC[C@H]2CCOC2)[C@@H](C)C1 ZINC000453368065 317180824 /nfs/dbraw/zinc/18/08/24/317180824.db2.gz MSUAPAAZHSBBHM-BZSNNMDCSA-N 2 0 312.498 2.530 20 0 DFADRP C[N@H+](CCCC[NH2+]Cc1ccc(N2CCCC2)nc1)C1CC1 ZINC000453592366 317191634 /nfs/dbraw/zinc/19/16/34/317191634.db2.gz DXJUVHQMDWREJM-UHFFFAOYSA-N 2 0 302.466 2.646 20 0 DFADRP Cc1cc(C[NH2+]CCCC[N@@H+](C)C2CC2)ccc1-n1cncn1 ZINC000453590158 317191868 /nfs/dbraw/zinc/19/18/68/317191868.db2.gz AUKCGASTZNZLPN-UHFFFAOYSA-N 2 0 313.449 2.540 20 0 DFADRP CCO[C@@H]1C[C@H]([NH2+]CCC[N@@H+]2CCCC[C@H]2C)[C@H]1SC ZINC000459366799 317322877 /nfs/dbraw/zinc/32/28/77/317322877.db2.gz BVNWLERQTYLERZ-QKPAOTATSA-N 2 0 300.512 2.750 20 0 DFADRP C[C@@H]1C[C@@H]1C[NH2+]CCCC[NH+]1CCN(Cc2ccccc2)CC1 ZINC000488410081 317390861 /nfs/dbraw/zinc/39/08/61/317390861.db2.gz HZRMTQCSOFETTP-UYAOXDASSA-N 2 0 315.505 2.830 20 0 DFADRP COCCC[NH+]1CCC([NH2+][C@H]2CS[C@@H](C(C)(C)C)C2)CC1 ZINC000488440753 317393168 /nfs/dbraw/zinc/39/31/68/317393168.db2.gz QGMQPHNUQSDDPW-HZPDHXFCSA-N 2 0 314.539 2.997 20 0 DFADRP CC(C)C[C@@H](C[NH+]1CCN([C@@H]2CC[NH2+]C2)CC1)c1ccccc1 ZINC000489991510 317503287 /nfs/dbraw/zinc/50/32/87/317503287.db2.gz UGVJYMNIBSVVBU-VQTJNVASSA-N 2 0 315.505 2.796 20 0 DFADRP CCC[C@H]([NH3+])C(=O)NC[C@@H](CC(C)C)[NH2+][C@@H](C)c1ccccc1 ZINC000518369876 317711332 /nfs/dbraw/zinc/71/13/32/317711332.db2.gz CYHMQSRESJJANS-JQHSSLGASA-N 2 0 319.493 2.996 20 0 DFADRP C[C@H](C[NH2+]Cc1ccc(C(F)F)cc1)CN1CC[NH+](C)CC1 ZINC000526978664 317739243 /nfs/dbraw/zinc/73/92/43/317739243.db2.gz FKNPKLVRBNYVIN-CQSZACIVSA-N 2 0 311.420 2.597 20 0 DFADRP C[C@@H]([NH2+]CC1(O)CC[NH+](Cc2ccccc2)CC1)[C@@H]1CC12CC2 ZINC000527907420 317754765 /nfs/dbraw/zinc/75/47/65/317754765.db2.gz HYIXBQOPTOCLHO-AEFFLSMTSA-N 2 0 314.473 2.792 20 0 DFADRP [NH3+]Cc1ccc(C[NH2+]Cc2cnc([C@H]3CCCO3)s2)cc1 ZINC000566230106 317942562 /nfs/dbraw/zinc/94/25/62/317942562.db2.gz HYLZKTLQPDEYLJ-OAHLLOKOSA-N 2 0 303.431 2.743 20 0 DFADRP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1NC(=O)CCCC[NH+](C)C ZINC000568825855 317963710 /nfs/dbraw/zinc/96/37/10/317963710.db2.gz DQYISNLRHWJBAQ-IRXDYDNUSA-N 2 0 311.514 2.735 20 0 DFADRP C[C@H](CNC(=O)c1ccccc1C[NH+](C)C)[N@@H+]1CCC[C@H](C)C1 ZINC000572787441 318003909 /nfs/dbraw/zinc/00/39/09/318003909.db2.gz UHJRHLNEQCHJPS-JKSUJKDBSA-N 2 0 317.477 2.598 20 0 DFADRP C[C@H]([NH2+]CC1(C)CC[NH2+]CC1)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000572868776 318006542 /nfs/dbraw/zinc/00/65/42/318006542.db2.gz CSJUAIYZNDBVDU-ZDUSSCGKSA-N 2 0 315.461 2.957 20 0 DFADRP CN(CCC[N@H+](C)Cc1cc2cc(F)ccc2o1)CC[NH+](C)C ZINC000573407191 318018238 /nfs/dbraw/zinc/01/82/38/318018238.db2.gz HXBZFOVEUSFDQV-UHFFFAOYSA-N 2 0 321.440 2.887 20 0 DFADRP C[NH2+][C@@H](C)C(=O)NCc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000574531106 318023328 /nfs/dbraw/zinc/02/33/28/318023328.db2.gz LKEYRVXVYFNBKZ-HNNXBMFYSA-N 2 0 317.477 2.675 20 0 DFADRP Cc1ncncc1[C@@H](C)[NH2+]Cc1cccc(OCC[NH+](C)C)c1 ZINC000574704354 318034810 /nfs/dbraw/zinc/03/48/10/318034810.db2.gz VGKPDZOGSUIUHR-CQSZACIVSA-N 2 0 314.433 2.576 20 0 DFADRP C[C@@H]1CCC[N@H+](Cc2ccc(NC(=O)CC[NH2+]C3CC3)cc2)C1 ZINC000574770963 318039991 /nfs/dbraw/zinc/03/99/91/318039991.db2.gz NCTGKNFHIPHYPY-OAHLLOKOSA-N 2 0 315.461 2.999 20 0 DFADRP Cc1cccc2c1ccnc2N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000574871867 318046213 /nfs/dbraw/zinc/04/62/13/318046213.db2.gz HFOCFEXTJPVSPH-INIZCTEOSA-N 2 0 311.429 2.702 20 0 DFADRP Cn1cc(-c2ccc(C[N@@H+]3CC[C@@]4(C3)CCC[NH2+]C4)s2)cn1 ZINC000574916682 318050482 /nfs/dbraw/zinc/05/04/82/318050482.db2.gz BBEJWRZPHOBVMR-KRWDZBQOSA-N 2 0 316.474 2.724 20 0 DFADRP C[C@@H]([NH2+]CC1CC[NH2+]CC1)c1nc2ccc(Cl)cc2n1C ZINC000575242598 318072220 /nfs/dbraw/zinc/07/22/20/318072220.db2.gz YVPOISPOTUZVFL-LLVKDONJSA-N 2 0 306.841 2.877 20 0 DFADRP CC[NH+]1CCC(CC[NH2+]CCC(=O)Nc2cccc(F)c2)CC1 ZINC000575248941 318072310 /nfs/dbraw/zinc/07/23/10/318072310.db2.gz YQYWAHQMSPPCKA-UHFFFAOYSA-N 2 0 321.440 2.866 20 0 DFADRP Cn1cc(C[NH2+]C[C@H]2CCC[N@H+](C)C2)c(-c2ccc(F)cc2)n1 ZINC000575316723 318072823 /nfs/dbraw/zinc/07/28/23/318072823.db2.gz RCWUGUHURAGLBE-CQSZACIVSA-N 2 0 316.424 2.658 20 0 DFADRP C[C@@H]1C[C@@H]([NH2+]CCc2ccc(OCC[NH+](C)C)cc2)C[C@H](C)O1 ZINC000575747688 318080879 /nfs/dbraw/zinc/08/08/79/318080879.db2.gz JXFSQQKEXOJYCV-ALXJQNPVSA-N 2 0 320.477 2.715 20 0 DFADRP Cc1cc(C(F)(F)F)ccc1CNC[C@H](O)C[N@@H+](C)C1CC1 ZINC000575917086 318091321 /nfs/dbraw/zinc/09/13/21/318091321.db2.gz IDTKREPGFPTMDK-HNNXBMFYSA-N 2 0 316.367 2.559 20 0 DFADRP COc1ccc(OC2CC[NH+](C[C@@]3(C)CC[NH2+]C3)CC2)cc1 ZINC000575922659 318091963 /nfs/dbraw/zinc/09/19/63/318091963.db2.gz CSTZEAVJWIWGQC-SFHVURJKSA-N 2 0 304.434 2.538 20 0 DFADRP CC(C)[NH2+]CCC[NH2+][C@@H](C)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000576099258 318103334 /nfs/dbraw/zinc/10/33/34/318103334.db2.gz RKXKJCXRMIAXPQ-ZDUSSCGKSA-N 2 0 303.450 2.955 20 0 DFADRP CCC[C@@H]([NH3+])C(=O)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000576181779 318109289 /nfs/dbraw/zinc/10/92/89/318109289.db2.gz DOZOIDMITHLFAW-HZPDHXFCSA-N 2 0 323.868 2.721 20 0 DFADRP C[C@H]([NH2+][C@H](CN1CC[NH+](C)CC1)c1ccccc1)C1CCC1 ZINC000576642089 318140005 /nfs/dbraw/zinc/14/00/05/318140005.db2.gz AAFZOWMSUNBVJY-QFBILLFUSA-N 2 0 301.478 2.753 20 0 DFADRP COC[C@@H]1CCCC[NH+]1CCCC[N@H+]1CCCC[C@H]1COC ZINC000576702530 318144056 /nfs/dbraw/zinc/14/40/56/318144056.db2.gz DCKVCHXMADPNAD-ROUUACIJSA-N 2 0 312.498 2.768 20 0 DFADRP C[NH+](C)CC[C@H]([NH2+]C[C@@H](O)Cc1ccc(F)cc1)C(C)(C)C ZINC000577054819 318168070 /nfs/dbraw/zinc/16/80/70/318168070.db2.gz FGBZGAQCSLOTCI-IRXDYDNUSA-N 2 0 310.457 2.685 20 0 DFADRP OC1(C[NH2+][C@H]2CCCC23CC3)CC[NH+](Cc2ccccc2)CC1 ZINC000577125552 318173166 /nfs/dbraw/zinc/17/31/66/318173166.db2.gz UWEOLYXEZHEEFQ-SFHVURJKSA-N 2 0 314.473 2.936 20 0 DFADRP CC[NH+](CC)CCOc1ccc(C[NH2+]CC2(O)CCCC2)cc1 ZINC000577215599 318178474 /nfs/dbraw/zinc/17/84/74/318178474.db2.gz BNINOBJGRLZECZ-UHFFFAOYSA-N 2 0 320.477 2.802 20 0 DFADRP Cc1ccccc1OC[C@H](O)C[NH2+]CC[C@H](C)[NH+]1CCCCC1 ZINC000577276117 318182403 /nfs/dbraw/zinc/18/24/03/318182403.db2.gz RMCDFJAFRKZNFP-ZWKOTPCHSA-N 2 0 320.477 2.589 20 0 DFADRP CCc1ccc([C@H](CN[C@H](C)[C@H]2CCC[NH2+]C2)[NH+](C)C)cc1 ZINC000577363133 318188114 /nfs/dbraw/zinc/18/81/14/318188114.db2.gz YJHOKZXJVGGLBJ-MNEFBYGVSA-N 2 0 303.494 2.829 20 0 DFADRP Cc1cc(NC(=O)NC[C@@H]2[NH2+]CCCC2(C)C)cn2ccnc12 ZINC000577590695 318203134 /nfs/dbraw/zinc/20/31/34/318203134.db2.gz VDHLPSBPXQOINS-AWEZNQCLSA-N 2 0 315.421 2.542 20 0 DFADRP Cc1cccc(C)c1OC[C@@H](O)C[NH2+][C@H](C)C(C)(C)C[NH+](C)C ZINC000577622811 318206282 /nfs/dbraw/zinc/20/62/82/318206282.db2.gz SEOISXARUUCZCK-SJORKVTESA-N 2 0 322.493 2.609 20 0 DFADRP CC[C@H](C[NH2+][C@@H](C)[C@@H]1CCC[NH2+]C1)N1CCc2ccccc2C1 ZINC000577739725 318213646 /nfs/dbraw/zinc/21/36/46/318213646.db2.gz DJKWDVMFEDIZBK-ILZDJORESA-N 2 0 315.505 2.801 20 0 DFADRP CC1CC[NH+]([C@H](CNC(=O)CCCC[NH3+])c2ccccc2)CC1 ZINC000577865193 318223413 /nfs/dbraw/zinc/22/34/13/318223413.db2.gz LWVBKWDOJIMDBH-GOSISDBHSA-N 2 0 317.477 2.705 20 0 DFADRP Cn1ccc([C@H]([NH2+]C[C@H]2CCC[C@H]([NH3+])C2)c2ccc(F)cc2)n1 ZINC000578231461 318247079 /nfs/dbraw/zinc/24/70/79/318247079.db2.gz ZJCXRPQWAZEUJC-QANKJYHBSA-N 2 0 316.424 2.756 20 0 DFADRP COc1cc2c(cc1OC)[C@H]([NH2+]Cc1ccc(C[NH3+])cc1)CC2 ZINC000578237727 318247825 /nfs/dbraw/zinc/24/78/25/318247825.db2.gz BQANJRZDFDMMKJ-QGZVFWFLSA-N 2 0 312.413 2.940 20 0 DFADRP CC(C)[N@@H+]1CCC[C@H](C[NH2+]C[C@H](O)[C@H](C)c2ccccc2)C1 ZINC000578618584 318273113 /nfs/dbraw/zinc/27/31/13/318273113.db2.gz HXGUAVGJIYASFX-LMMKCTJWSA-N 2 0 304.478 2.861 20 0 DFADRP C[NH2+][C@H](C)C(=O)Nc1cccc(CC[NH+]2CCC(C)CC2)c1 ZINC000578642904 318275637 /nfs/dbraw/zinc/27/56/37/318275637.db2.gz GFQULWZNYCACRG-OAHLLOKOSA-N 2 0 303.450 2.507 20 0 DFADRP C[C@@H]1CC[N@H+](CC(=O)Nc2cccc(C[NH+]3CCCCC3)c2)C1 ZINC000578780821 318285347 /nfs/dbraw/zinc/28/53/47/318285347.db2.gz LYCKNYOJOHGAKV-MRXNPFEDSA-N 2 0 315.461 2.953 20 0 DFADRP CCO[C@@H]1C[C@@H]1[NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]12 ZINC000578832262 318287580 /nfs/dbraw/zinc/28/75/80/318287580.db2.gz JSXIIOQWNXFGLT-MTHXSQLBSA-N 2 0 300.446 2.664 20 0 DFADRP COc1cc(OC)c(C[C@H](C)[NH2+][C@@H]2CCC[C@H]([NH3+])C2)c(OC)c1 ZINC000578882404 318292610 /nfs/dbraw/zinc/29/26/10/318292610.db2.gz KQPLDXODAYALQL-MELADBBJSA-N 2 0 322.449 2.503 20 0 DFADRP COc1cc(OC)c(C[C@H](C)[NH2+][C@H]2CCC[C@@H]([NH3+])C2)c(OC)c1 ZINC000578882405 318292628 /nfs/dbraw/zinc/29/26/28/318292628.db2.gz KQPLDXODAYALQL-MJBXVCDLSA-N 2 0 322.449 2.503 20 0 DFADRP Cc1ccc(C[NH2+]CCCC[NH+]2CCN(C)CC2)cc1Cl ZINC000579075607 318304920 /nfs/dbraw/zinc/30/49/20/318304920.db2.gz UUYPUKVXLHSIIV-UHFFFAOYSA-N 2 0 309.885 2.766 20 0 DFADRP C[C@@H]1C[C@@H](C)C[NH+](CCCC[NH2+]C[C@H](O)CC(F)(F)F)C1 ZINC000579463410 318331695 /nfs/dbraw/zinc/33/16/95/318331695.db2.gz ROFZKJKIRRLSCK-MGPQQGTHSA-N 2 0 310.404 2.647 20 0 DFADRP Cc1ncc2c(n1)CC[C@H]([NH2+][C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1)C2 ZINC000579825103 318356319 /nfs/dbraw/zinc/35/63/19/318356319.db2.gz MDCQGHIMNCHACH-QFHJOOASSA-N 2 0 314.477 2.543 20 0 DFADRP CCC[NH+]1CCC([NH2+]C2CCN(Cc3ccccn3)CC2)CC1 ZINC000580002060 318368727 /nfs/dbraw/zinc/36/87/27/318368727.db2.gz GVBQKWDMPKXEGH-UHFFFAOYSA-N 2 0 316.493 2.510 20 0 DFADRP Cc1nc2cc(NC(=O)C[C@H](C)C3CC[NH2+]CC3)ccc2[nH]1 ZINC000580189201 318382107 /nfs/dbraw/zinc/38/21/07/318382107.db2.gz JJJSWBRHNLHLRT-NSHDSACASA-N 2 0 300.406 2.836 20 0 DFADRP CC[N@H+](C)C[C@@H](O)C[NH+]1CCC[C@](C)(c2ccccc2)CC1 ZINC000580211828 318384602 /nfs/dbraw/zinc/38/46/02/318384602.db2.gz LUSUROLNNAFCEF-MOPGFXCFSA-N 2 0 304.478 2.743 20 0 DFADRP C[NH+](C)Cc1cccc(NC(=O)NCCC2CC[NH+](C)CC2)c1 ZINC000195484523 323282591 /nfs/dbraw/zinc/28/25/91/323282591.db2.gz KFBPTDGFCLNWQA-UHFFFAOYSA-N 2 0 318.465 2.602 20 0 DFADRP C[C@@H]1C[C@H](N[C@@H]2CCC[C@H]([NH3+])C2)CC[N@@H+]1Cc1ccccc1 ZINC000379616892 323289846 /nfs/dbraw/zinc/28/98/46/323289846.db2.gz DFFIXQBPQJBNDN-QXCFHYIPSA-N 2 0 301.478 2.899 20 0 DFADRP C[C@@H](CCNC(=O)[C@H]1CCCCC[NH2+]1)[N@H+](C)Cc1ccccc1 ZINC000379681797 323290885 /nfs/dbraw/zinc/29/08/85/323290885.db2.gz TVHXUZOBLGGXAD-FUHWJXTLSA-N 2 0 317.477 2.545 20 0 DFADRP CC(C)[NH+]1CCC([NH2+][C@H](C)[C@H](C)NC(=O)OC(C)(C)C)CC1 ZINC000381001173 323292923 /nfs/dbraw/zinc/29/29/23/323292923.db2.gz OOAOHPGKXJBIKP-KGLIPLIRSA-N 2 0 313.486 2.751 20 0 DFADRP Cc1cc([C@@H](C)[NH2+]C[C@H](C(C)C)N2CC[NH+](C)CC2)cs1 ZINC000381619462 323295140 /nfs/dbraw/zinc/29/51/40/323295140.db2.gz RFKJSTFGHLZZRU-NVXWUHKLSA-N 2 0 309.523 2.979 20 0 DFADRP C[C@H](C[NH2+][C@@H]1CCC[C@@H](NC(=O)OC(C)(C)C)C1)C[NH+](C)C ZINC000381878657 323295994 /nfs/dbraw/zinc/29/59/94/323295994.db2.gz NYBGBNGDPYVCDJ-RBSFLKMASA-N 2 0 313.486 2.610 20 0 DFADRP C[C@H]1CC[N@H+](CC[C@@H]2CCC[NH2+]C2)CCN1Cc1ccccc1 ZINC000382709411 323301289 /nfs/dbraw/zinc/30/12/89/323301289.db2.gz SMGPKNBUMHIMIJ-OALUTQOASA-N 2 0 315.505 2.973 20 0 DFADRP CC1(C)C[N@H+](CC[C@@H]2CC[NH2+]C2)CCN1Cc1ccccc1 ZINC000382728635 323301790 /nfs/dbraw/zinc/30/17/90/323301790.db2.gz XSTSPTATTCHXOX-KRWDZBQOSA-N 2 0 301.478 2.582 20 0 DFADRP CCN(CCC[NH2+][C@@H]1CC[N@H+](C)C[C@@H]1C)C(=O)OC(C)(C)C ZINC000382826389 323302285 /nfs/dbraw/zinc/30/22/85/323302285.db2.gz DGVDZPRJKPFBQG-LSDHHAIUSA-N 2 0 313.486 2.563 20 0 DFADRP CC(C)C[C@@H]([NH3+])CN(C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000382737909 323302688 /nfs/dbraw/zinc/30/26/88/323302688.db2.gz KELFNVFCDGWFHK-RTBURBONSA-N 2 0 303.494 2.814 20 0 DFADRP C[N@H+](CCC(=O)Nc1cc(Cl)ccc1Cl)C1CC([NH3+])C1 ZINC000384884948 323309386 /nfs/dbraw/zinc/30/93/86/323309386.db2.gz RVNCZJYGNWWJGD-UHFFFAOYSA-N 2 0 316.232 2.744 20 0 DFADRP OC[C@@H]([NH2+]C1CCN(c2cc[nH+]cc2)CC1)C1CCCCC1 ZINC000386150904 323316041 /nfs/dbraw/zinc/31/60/41/323316041.db2.gz TVXVRPZQUQEIJJ-GOSISDBHSA-N 2 0 303.450 2.581 20 0 DFADRP CCN(C(=O)OC(C)(C)C)[C@H](C)C[NH2+][C@@H]1CC[N@H+](C)C[C@H]1C ZINC000387462871 323324768 /nfs/dbraw/zinc/32/47/68/323324768.db2.gz QIOYOEDOAPAPSC-RBSFLKMASA-N 2 0 313.486 2.562 20 0 DFADRP COc1ccc2c(c1)C[C@H]([NH2+]C[C@@H]1CC[N@@H+](C(C)C)C1)CC2 ZINC000387574356 323326586 /nfs/dbraw/zinc/32/65/86/323326586.db2.gz OMBWQSTXVNXCNS-MAUKXSAKSA-N 2 0 302.462 2.872 20 0 DFADRP CC(C)C[N@H+](C[C@H](O)[C@@H](N)Cc1ccccc1)C1CCCC1 ZINC000388013722 323328128 /nfs/dbraw/zinc/32/81/28/323328128.db2.gz HRDSXKBWURDNPS-OALUTQOASA-N 2 0 304.478 2.818 20 0 DFADRP CC(C)[C@H](C[NH2+]Cc1ccc2[nH]ccc2c1)N1CC[NH+](C)CC1 ZINC000391009088 323344669 /nfs/dbraw/zinc/34/46/69/323344669.db2.gz YEYJQGCDRCRBFE-IBGZPJMESA-N 2 0 314.477 2.530 20 0 DFADRP c1cc2c(cc1C[NH+]1CCC(C[NH+]3CCCC3)CC1)C[NH2+]CC2 ZINC000391205199 323345666 /nfs/dbraw/zinc/34/56/66/323345666.db2.gz GGCWCGCVKQYEED-UHFFFAOYSA-N 3 0 313.489 2.640 20 0 DFADRP CC(C)C[C@H](CN(C)C)[NH2+]C1CCC(O)(C(F)(F)F)CC1 ZINC000396320634 323352926 /nfs/dbraw/zinc/35/29/26/323352926.db2.gz ISWZTSPQGVMFAM-ROKHWSDSSA-N 2 0 310.404 2.788 20 0 DFADRP [NH3+][C@@H]1CCCCCC[C@@H]1C(=O)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000580442517 323386399 /nfs/dbraw/zinc/38/63/99/323386399.db2.gz DHPDZAABGHEMIC-OKZBNKHCSA-N 2 0 321.509 2.761 20 0 DFADRP Cc1ccc(C[NH2+]C[C@@H](C)CN2CC[NH+](C)CC2)c(Cl)c1 ZINC000581433875 323522694 /nfs/dbraw/zinc/52/26/94/323522694.db2.gz ZVJHBRXWCJVTCP-OAHLLOKOSA-N 2 0 309.885 2.622 20 0 DFADRP CC(C)[NH+](CCCNC(=O)C[C@@H](C)[C@@H]1CCC[NH2+]C1)C(C)C ZINC000583201841 323813130 /nfs/dbraw/zinc/81/31/30/323813130.db2.gz OLQOMNRTQLOEQL-IAGOWNOFSA-N 2 0 311.514 2.637 20 0 DFADRP COc1ccc(C2CCC([NH2+]CCOCC[NH+](C)C)CC2)cc1 ZINC000583604504 323884196 /nfs/dbraw/zinc/88/41/96/323884196.db2.gz GOMLQCOSWLBUBR-UHFFFAOYSA-N 2 0 320.477 2.889 20 0 DFADRP Cc1cccc(C(C)C)c1NC(=O)CN1CC[C@H]([NH3+])C[C@H]1C ZINC000584358663 337102307 /nfs/dbraw/zinc/10/23/07/337102307.db2.gz DOJHRSFTJDYLRF-CABCVRRESA-N 2 0 303.450 2.869 20 0 DFADRP CCO[C@H]1C[C@@H]([NH2+][C@H](C)c2cccc(OCC[NH+](C)C)c2)C1 ZINC000414153297 500708701 /nfs/dbraw/zinc/70/87/01/500708701.db2.gz ZCMNXHXZULOESQ-KYJSFNMBSA-N 2 0 306.450 2.845 20 0 DFADRP COc1ccccc1[C@H](C)[NH2+]CCCN1CC[NH+](C(C)C)CC1 ZINC000283424554 500864290 /nfs/dbraw/zinc/86/42/90/500864290.db2.gz WMFKUNUYSCJLCV-KRWDZBQOSA-N 2 0 319.493 2.762 20 0 DFADRP CC[NH+](CC)CCCN(C)C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1 ZINC000365190247 520594364 /nfs/dbraw/zinc/59/43/64/520594364.db2.gz GKWBXHQQQSBDST-OALUTQOASA-N 2 0 318.509 2.738 20 0 DFADRP CC[NH+](CC)CCCN1CCC2(C[C@H]2C[N@H+](C)C2CC2)CC1 ZINC000365193797 520604329 /nfs/dbraw/zinc/60/43/29/520604329.db2.gz WHPMFLCPOFKKBI-KRWDZBQOSA-N 2 0 307.526 2.915 20 0 DFADRP CC(C)(C)C1CCC(C[N@@H+]2CC[C@@H](N3CC[NH2+]CC3)C2)CC1 ZINC000262488388 534554755 /nfs/dbraw/zinc/55/47/55/534554755.db2.gz KSPIZLDJVAGCIC-DAWZGUTISA-N 2 0 307.526 2.818 20 0 DFADRP CCOC(C[NH+]1CCC(C[NH+]2CCC(C)CC2)CC1)OCC ZINC000363809689 521630619 /nfs/dbraw/zinc/63/06/19/521630619.db2.gz BTZGBHQDBHLGCE-UHFFFAOYSA-N 2 0 312.498 2.829 20 0 DFADRP CCOC1CC(CC[NH2+][C@@H]2CC[N@H+](C[C@@H]3CCCO3)C[C@H]2C)C1 ZINC000364841804 521645702 /nfs/dbraw/zinc/64/57/02/521645702.db2.gz BTEFNBUXEVBABA-KAYMUHFXSA-N 2 0 324.509 2.671 20 0 DFADRP Cc1nccn1CC[N@@H+]1C[C@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000310320783 534774320 /nfs/dbraw/zinc/77/43/20/534774320.db2.gz YPIAYMWLCUCSPL-UXHICEINSA-N 2 0 324.472 2.645 20 0 DFADRP Cc1ccc([C@@H](C)[NH2+]CCCN2CCC[N@H+](C)CC2)cc1C ZINC000128357349 525724740 /nfs/dbraw/zinc/72/47/40/525724740.db2.gz OOVBYWGFUWHEQN-GOSISDBHSA-N 2 0 303.494 2.982 20 0 DFADRP C[C@H]1CCCC[N@@H+]1CCC1CC[NH+](CC2(O)CCOCC2)CC1 ZINC000157079969 526246831 /nfs/dbraw/zinc/24/68/31/526246831.db2.gz TWGUZDCEYMDSNT-KRWDZBQOSA-N 2 0 324.509 2.504 20 0 DFADRP [NH3+][C@@H]1CCC[C@H](C(=O)NC2CC[NH+](CC3CCCCC3)CC2)C1 ZINC000366333514 527356598 /nfs/dbraw/zinc/35/65/98/527356598.db2.gz NPBJKKYEAKJTOJ-DLBZAZTESA-N 2 0 321.509 2.665 20 0 DFADRP Cn1nccc1[C@@H]1CCC[C@H]([NH2+]CCC[NH+]2CCCCC2)C1 ZINC000364830755 527625291 /nfs/dbraw/zinc/62/52/91/527625291.db2.gz QKXIAFGYYUTCOP-SJORKVTESA-N 2 0 304.482 2.912 20 0 DFADRP CCO[C@@H]1C[C@H]([NH2+]C2CCN(c3cc[nH+]cc3)CC2)C12CCC2 ZINC000294312727 527936290 /nfs/dbraw/zinc/93/62/90/527936290.db2.gz WBSJTEZOAGPEER-ZWKOTPCHSA-N 2 0 315.461 2.988 20 0 DFADRP CC(C)[C@](C)(O)C[NH2+][C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000309695807 527965459 /nfs/dbraw/zinc/96/54/59/527965459.db2.gz DJRABZYLXKOMDW-YTQUADARSA-N 2 0 304.478 2.894 20 0 DFADRP CC[NH+](CC)Cc1ccc(CNC(=O)[C@]2(CC)CC[NH2+]C2)cc1 ZINC000320806103 528189745 /nfs/dbraw/zinc/18/97/45/528189745.db2.gz ZDMTUNPIYSYLQO-LJQANCHMSA-N 2 0 317.477 2.534 20 0 DFADRP CCCC[NH+]1CCC([NH2+][C@@H]2CCO[C@H](C(F)(F)F)C2)CC1 ZINC000314557643 528462978 /nfs/dbraw/zinc/46/29/78/528462978.db2.gz AFAQQHOALNUDCZ-KGLIPLIRSA-N 2 0 308.388 2.950 20 0 DFADRP CC(C)C[N@@H+]1CC[C@H](CNC(=O)[C@H](C(C)C)[NH+]2CCCCC2)C1 ZINC000362646444 535137848 /nfs/dbraw/zinc/13/78/48/535137848.db2.gz KPBHFNOFZDZPFP-MSOLQXFVSA-N 2 0 323.525 2.591 20 0 DFADRP CC(C)[C@@H]1CN(C(=O)Nc2cccc(C[NH+](C)C)c2)CC[N@@H+]1C ZINC000362762726 535258017 /nfs/dbraw/zinc/25/80/17/535258017.db2.gz LUWZFRFWPYMKSH-KRWDZBQOSA-N 2 0 318.465 2.552 20 0 DFADRP CC(C)[C@H](C(=O)NCC(C)(C)C[NH+]1CCCC1)[NH+]1CCCCC1 ZINC000361396963 535326251 /nfs/dbraw/zinc/32/62/51/535326251.db2.gz IWIYGTALLJTXGB-QGZVFWFLSA-N 2 0 323.525 2.735 20 0 DFADRP CCCc1cccc(C[NH2+]C[C@H](C)N2CC[NH+](CC)CC2)c1 ZINC000187123426 535432797 /nfs/dbraw/zinc/43/27/97/535432797.db2.gz DMIRYLOGIVWRSX-KRWDZBQOSA-N 2 0 303.494 2.755 20 0 DFADRP CC[NH2+]CC1CC[NH+](CCOc2ccccc2C(C)=O)CC1 ZINC000262304179 535458349 /nfs/dbraw/zinc/45/83/49/535458349.db2.gz OZOCFXZDLCYISE-UHFFFAOYSA-N 2 0 304.434 2.590 20 0 DFADRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H](CC)[C@@H]2CCOC2)[C@H](C)C1 ZINC000361491932 535525905 /nfs/dbraw/zinc/52/59/05/535525905.db2.gz BPOCPCLNRJUHNP-TVFCKZIOSA-N 2 0 312.498 2.528 20 0 DFADRP CC[C@@H](C)[C@@H]([NH3+])C(=O)NC1CC[NH+](CC2CCCCC2)CC1 ZINC000361725887 535654251 /nfs/dbraw/zinc/65/42/51/535654251.db2.gz GLNSDMYWKQIJGG-RHSMWYFYSA-N 2 0 309.498 2.521 20 0 DFADRP CC[NH+]1CCN(CCCC[NH2+][C@@H](C)c2csc(C)n2)CC1 ZINC000361093808 535695169 /nfs/dbraw/zinc/69/51/69/535695169.db2.gz COWBHRGPONUMPI-AWEZNQCLSA-N 2 0 310.511 2.520 20 0 DFADRP CC[NH+]1CCN([C@@H]2CC[N@@H+]([C@@H](C)c3cccc(F)c3)C2)CC1 ZINC000171527805 535738283 /nfs/dbraw/zinc/73/82/83/535738283.db2.gz CAZRZSJYNOVRAX-MAUKXSAKSA-N 2 0 305.441 2.599 20 0 DFADRP C[NH+](C)Cc1ccc(-c2noc(CCC3CC[NH2+]CC3)n2)cc1 ZINC000261703636 535994450 /nfs/dbraw/zinc/99/44/50/535994450.db2.gz IFXNYBUKCWCJHU-UHFFFAOYSA-N 2 0 314.433 2.730 20 0 DFADRP C[NH2+][C@@H](C)Cc1noc(C2CC[NH+](Cc3ccccc3)CC2)n1 ZINC000261795957 536348378 /nfs/dbraw/zinc/34/83/78/536348378.db2.gz OVPQVLMTWOKOES-AWEZNQCLSA-N 2 0 314.433 2.600 20 0 DFADRP COc1cc(C[N@@H+]2CCC[C@@H]([C@@H](C)[NH3+])C2)ccc1OC(F)F ZINC000261962971 536753020 /nfs/dbraw/zinc/75/30/20/536753020.db2.gz PBHHXFOXTXYXCJ-DGCLKSJQSA-N 2 0 314.376 2.856 20 0 DFADRP COc1cc(C[N@@H+]2CCC[C@H]([C@@H](C)[NH3+])C2)ccc1OC(F)F ZINC000261962985 536757865 /nfs/dbraw/zinc/75/78/65/536757865.db2.gz PBHHXFOXTXYXCJ-YPMHNXCESA-N 2 0 314.376 2.856 20 0 DFADRP COc1cccc(C[C@@H](C)[NH2+]C2CC([NH+]3CCCCC3)C2)n1 ZINC000355594568 537113349 /nfs/dbraw/zinc/11/33/49/537113349.db2.gz AIFHEZDHPNLIOA-ODIFPOPNSA-N 2 0 303.450 2.628 20 0 DFADRP CC[C@@H]1C[N@@H+]2CCCC[C@@H]2CN1C(=O)[C@H](C)[NH2+]C(C)(C)CC ZINC000681304965 545626469 /nfs/dbraw/zinc/62/64/69/545626469.db2.gz VNXGKEIKHWLKQF-ARFHVFGLSA-N 2 0 309.498 2.628 20 0 DFADRP C[C@H]([NH2+][C@@H]1CCN(C2CC[NH+](C)CC2)C1)c1ccc(Cl)cn1 ZINC000681388793 545636475 /nfs/dbraw/zinc/63/64/75/545636475.db2.gz ANJMZOUBOCLNAX-DZGCQCFKSA-N 2 0 322.884 2.554 20 0 DFADRP c1ccc2c(c1)CC[C@H]2[NH+]1CCC(C[NH+]2CCOCC2)CC1 ZINC000681663032 545694713 /nfs/dbraw/zinc/69/47/13/545694713.db2.gz QYELIDPKLPZTDR-LJQANCHMSA-N 2 0 300.446 2.718 20 0 DFADRP CC[C@]1(O)CC[N@H+](Cc2ccc(OCC[NH+]3CCCC3)cc2)C1 ZINC000681755558 545715928 /nfs/dbraw/zinc/71/59/28/545715928.db2.gz VNYDBNHGZUBCHX-IBGZPJMESA-N 2 0 318.461 2.508 20 0 DFADRP C[C@H]([NH2+]C[C@@]1(O)CCC[C@H](C(F)(F)F)C1)C1CC[NH+](C)CC1 ZINC000682143041 545803935 /nfs/dbraw/zinc/80/39/35/545803935.db2.gz HGARFAXYDAHSDU-AEGPPILISA-N 2 0 322.415 2.790 20 0 DFADRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H]2CCS[C@@H]2C)[C@H](C)C1 ZINC000682159060 545808336 /nfs/dbraw/zinc/80/83/36/545808336.db2.gz KZJRFKOKQUJUQV-LVQVYYBASA-N 2 0 300.512 2.607 20 0 DFADRP C[NH+](C)CCOCC[NH2+]Cc1c(Cl)cccc1OC(F)F ZINC000682616224 545884387 /nfs/dbraw/zinc/88/43/87/545884387.db2.gz UHLGHRVFFRVEFF-UHFFFAOYSA-N 2 0 322.783 2.609 20 0 DFADRP C[C@H]1C[N@H+](CCC[NH2+]Cc2cccc3cnccc32)CCCO1 ZINC000683343913 546015351 /nfs/dbraw/zinc/01/53/51/546015351.db2.gz BUEYEKRXXJZTKR-INIZCTEOSA-N 2 0 313.445 2.825 20 0 DFADRP OCCN1CCC[C@@H]([NH2+]Cc2ccc(-c3cccs3)cc2)C1 ZINC000683518993 546049981 /nfs/dbraw/zinc/04/99/81/546049981.db2.gz JUQOZJAGLNBUKH-QGZVFWFLSA-N 2 0 316.470 2.961 20 0 DFADRP Nc1cc(C[NH+]2CCC(C[NH+]3CCCCCC3)CC2)ccn1 ZINC000683779797 546093155 /nfs/dbraw/zinc/09/31/55/546093155.db2.gz UBOJQJVPYSLAQF-UHFFFAOYSA-N 2 0 302.466 2.752 20 0 DFADRP CC(C)(CC[NH+]1CCCCCC1)[NH2+]C[C@H]1CNc2ccnn2C1 ZINC000684199282 546171144 /nfs/dbraw/zinc/17/11/44/546171144.db2.gz ZXHGDHHPDOVBDT-MRXNPFEDSA-N 2 0 319.497 2.559 20 0 DFADRP CO[C@@H]1CCC[C@@H]([NH2+]Cc2ccccc2OCC[NH+](C)C)C1 ZINC000684373431 546203391 /nfs/dbraw/zinc/20/33/91/546203391.db2.gz ZNCKTMSEZOIAAP-IAGOWNOFSA-N 2 0 306.450 2.674 20 0 DFADRP C[C@H]1C[N@H+](Cc2ccc(OCC[NH+](C)C)cc2)C[C@H](C2CC2)O1 ZINC000684411139 546212106 /nfs/dbraw/zinc/21/21/06/546212106.db2.gz AQEBCJPTIABBDS-HNAYVOBHSA-N 2 0 318.461 2.626 20 0 DFADRP Oc1cccc2c(NC3CC[NH+]([C@@H]4CCOC4)CC3)cc[nH+]c12 ZINC000684578769 546247068 /nfs/dbraw/zinc/24/70/68/546247068.db2.gz YTFGPTRHIDAXCN-CQSZACIVSA-N 2 0 313.401 2.606 20 0 DFADRP Clc1ccc(OCC2CC2)c(CN2C[C@@H]3C[NH2+]C[C@H]3C2)c1 ZINC000684616167 546253353 /nfs/dbraw/zinc/25/33/53/546253353.db2.gz FNGWUJYNJAGDEH-GJZGRUSLSA-N 2 0 306.837 2.780 20 0 DFADRP C[C@@H](Cc1ccsc1)[N@H+](C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000685457666 546353288 /nfs/dbraw/zinc/35/32/88/546353288.db2.gz ITIZIPHRHDRGDR-MAUKXSAKSA-N 2 0 321.534 2.779 20 0 DFADRP C[NH+](C)CC1CCN(c2ccc(NCC3(C)COC3)cc2)CC1 ZINC000286536679 219042359 /nfs/dbraw/zinc/04/23/59/219042359.db2.gz NZYLGOISHJCIND-UHFFFAOYSA-N 2 0 317.477 2.913 20 0 DFADRP O=c1[nH]c2ccccc2cc1C[NH2+]CC1CC[NH+](C2CC2)CC1 ZINC000278307078 214079874 /nfs/dbraw/zinc/07/98/74/214079874.db2.gz DLWUDQLRYVBLTP-UHFFFAOYSA-N 2 0 311.429 2.904 20 0 DFADRP C[NH+](C)CCOc1cc(C[NH2+][C@H]2CCC23CCCC3)ccn1 ZINC000189186232 282110221 /nfs/dbraw/zinc/11/02/21/282110221.db2.gz PCYDTGYCVRKVFM-INIZCTEOSA-N 2 0 303.450 2.834 20 0 DFADRP C[NH+](C)C[C@@H]1CCCCN1C(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000365782534 282118284 /nfs/dbraw/zinc/11/82/84/282118284.db2.gz DJGCLECLOXWVNY-AEFFLSMTSA-N 2 0 321.509 2.584 20 0 DFADRP COC(=O)c1coc([C@H](C)[NH2+]CC2CC[NH+](C3CC3)CC2)c1 ZINC000278536944 214219922 /nfs/dbraw/zinc/21/99/22/214219922.db2.gz URBKIFHACYXLOF-LBPRGKRZSA-N 2 0 306.406 2.591 20 0 DFADRP c1c[nH]c([C@@H]([NH2+]CC2CC[NH+](C3CC3)CC2)c2ccccc2)n1 ZINC000278539136 214221791 /nfs/dbraw/zinc/22/17/91/214221791.db2.gz UVESVPJRKNLMIX-SFHVURJKSA-N 2 0 310.445 2.963 20 0 DFADRP C[NH+](C)C[C@](C)(O)C[NH2+][C@@H]1CCC[C@H]1c1ccccc1Cl ZINC000368325279 282144119 /nfs/dbraw/zinc/14/41/19/282144119.db2.gz YYNOSVFLIKIDPK-USXIJHARSA-N 2 0 310.869 2.878 20 0 DFADRP Cc1cc([C@H](C)[NH2+]C[C@H](C(C)C)N2CC[NH+](C)CC2)c(C)o1 ZINC000315227389 231138117 /nfs/dbraw/zinc/13/81/17/231138117.db2.gz LKRXKSCJFDKYBS-MAUKXSAKSA-N 2 0 307.482 2.819 20 0 DFADRP COc1ccc(C[NH2+][C@@H]2CC[N@H+](C)C[C@H]2C)cc1OC(F)F ZINC000319342521 231183909 /nfs/dbraw/zinc/18/39/09/231183909.db2.gz CULIGZZYDJGQAK-DGCLKSJQSA-N 2 0 314.376 2.726 20 0 DFADRP COc1cc(OC)c(C[NH2+]CC2(C)CC[NH+](C)CC2)c(OC)c1 ZINC000324525897 231224110 /nfs/dbraw/zinc/22/41/10/231224110.db2.gz RQSUXENOQZNLJZ-UHFFFAOYSA-N 2 0 322.449 2.534 20 0 DFADRP Cc1nccn1[C@@H]1CCC[N@@H+](CC(=O)N2[C@H](C)CCC[C@H]2C)C1 ZINC000591904797 398348003 /nfs/dbraw/zinc/34/80/03/398348003.db2.gz AUWODOSNRSXXRO-BFYDXBDKSA-N 2 0 318.465 2.618 20 0 DFADRP CCC(CC)NC(=O)[C@H](C)[N@@H+]1CCC[C@@H](n2ccnc2C)C1 ZINC000591905647 398348271 /nfs/dbraw/zinc/34/82/71/398348271.db2.gz FENKTGSUIOHQHH-XJKSGUPXSA-N 2 0 306.454 2.522 20 0 DFADRP Cc1nccn1[C@H]1CCC[N@@H+]([C@@H](C)C(=O)N2CCCCCC2)C1 ZINC000591906432 398349917 /nfs/dbraw/zinc/34/99/17/398349917.db2.gz OFYKQWSGQXNCAV-RDJZCZTQSA-N 2 0 318.465 2.620 20 0 DFADRP CCC[NH+]1CCC(N[C@@H](C)c2ccc3c(c2)OCCO3)CC1 ZINC000236796385 398364035 /nfs/dbraw/zinc/36/40/35/398364035.db2.gz XQZJOQTVPINCSB-AWEZNQCLSA-N 2 0 304.434 2.983 20 0 DFADRP CC(C)C[C@H]([NH3+])C(=O)N1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000236652412 398362611 /nfs/dbraw/zinc/36/26/11/398362611.db2.gz GYZOALGXEDMZMG-WMZOPIPTSA-N 2 0 323.525 2.863 20 0 DFADRP CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)CC[C@@H]([NH3+])c1ccccc1 ZINC000237075634 398366737 /nfs/dbraw/zinc/36/67/37/398366737.db2.gz WZSOJBSTCOCHFK-QZTJIDSGSA-N 2 0 317.477 2.799 20 0 DFADRP C[NH+](C)CC[C@@H](NC(=O)CC[C@@H]([NH3+])c1ccccc1)C(C)(C)C ZINC000236982463 398365684 /nfs/dbraw/zinc/36/56/84/398365684.db2.gz RCUIVISDRALSDA-IAGOWNOFSA-N 2 0 319.493 2.949 20 0 DFADRP CCOc1cc(C[NH2+]C[C@H]2CCCN2C)ccc1OC(F)F ZINC000236954907 398365699 /nfs/dbraw/zinc/36/56/99/398365699.db2.gz UPLAESHHSOYHQJ-CYBMUJFWSA-N 2 0 314.376 2.871 20 0 DFADRP CCO[C@@H]1C[C@H]([NH2+]C[C@@H](C(C)C)N2CCCC2)[C@H]1SC ZINC000459359527 299087701 /nfs/dbraw/zinc/08/77/01/299087701.db2.gz CEKLXXRRXASWOE-CAOSSQGBSA-N 2 0 300.512 2.605 20 0 DFADRP CC(C)[C@@H](C)[NH2+]Cc1ccc(C(=O)NCC[NH+]2CCCC2)cc1 ZINC000090028802 185279011 /nfs/dbraw/zinc/27/90/11/185279011.db2.gz XULDSGRRSOFICZ-MRXNPFEDSA-N 2 0 317.477 2.646 20 0 DFADRP C[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(C(=O)NCC[NH+](C)C)cc1 ZINC000090038841 185279334 /nfs/dbraw/zinc/27/93/34/185279334.db2.gz WNXWYJGKHKPEDM-CRAIPNDOSA-N 2 0 317.477 2.646 20 0 DFADRP C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)c2ccc(C[NH3+])cc2)C1 ZINC000166047016 197686307 /nfs/dbraw/zinc/68/63/07/197686307.db2.gz FYORQUILLJTADW-HUUCEWRRSA-N 2 0 317.477 2.632 20 0 DFADRP COc1cc(C[NH+]2CCC(CC[NH+](C)C)CC2)cc(OC)c1 ZINC000092381106 185314980 /nfs/dbraw/zinc/31/49/80/185314980.db2.gz PIZXRCYMBWCQKS-UHFFFAOYSA-N 2 0 306.450 2.868 20 0 DFADRP C[C@H]1CCC[C@@H](C[NH2+]C2CCN(C3CC[NH+](C)CC3)CC2)C1 ZINC000092564485 185326184 /nfs/dbraw/zinc/32/61/84/185326184.db2.gz VYUAFTVUVMYTEV-DLBZAZTESA-N 2 0 307.526 2.961 20 0 DFADRP CCCC[NH+]1CCC([NH2+][C@@H]2C[C@H](OCC)[C@H]2SC)CC1 ZINC000459387945 299093375 /nfs/dbraw/zinc/09/33/75/299093375.db2.gz DKXVNNXYNURYDV-PMPSAXMXSA-N 2 0 300.512 2.750 20 0 DFADRP Cc1ncccc1C[NH+]1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000092587499 185327437 /nfs/dbraw/zinc/32/74/37/185327437.db2.gz IMFVKMCAJCJATN-IYBDPMFKSA-N 2 0 317.477 2.711 20 0 DFADRP CCO[C@@H]1C[C@H]([NH2+]C[C@@H](C)C[NH+]2CCCCC2)[C@@H]1SC ZINC000459387744 299093462 /nfs/dbraw/zinc/09/34/62/299093462.db2.gz JWVUMFRUWRDQNS-QXSJWSMHSA-N 2 0 300.512 2.607 20 0 DFADRP COc1ccc([C@@H](C)[NH2+]CCCC[N@@H+]2CCC[C@H]2CO)cc1C ZINC000272820621 210222043 /nfs/dbraw/zinc/22/20/43/210222043.db2.gz CZLDEJAVCIUJTF-AEFFLSMTSA-N 2 0 320.477 2.891 20 0 DFADRP CC[C@H](C)[C@H]([NH3+])C(=O)NCC(C)(C)[NH2+][C@@H](C)c1ccccc1 ZINC000167622093 197711132 /nfs/dbraw/zinc/71/11/32/197711132.db2.gz RVRVPGHSBWWTGY-DZKIICNBSA-N 2 0 305.466 2.605 20 0 DFADRP C[C@H]1C[NH+](CCCC[NH2+]Cc2cccc3c[nH]nc32)C[C@H](C)O1 ZINC000084018226 398392267 /nfs/dbraw/zinc/39/22/67/398392267.db2.gz DOKDOSSPWWDSFO-GJZGRUSLSA-N 2 0 316.449 2.542 20 0 DFADRP C[NH+](C)[C@H]1CCCN(C(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC000365307634 282255160 /nfs/dbraw/zinc/25/51/60/282255160.db2.gz JGUVIISWFRUPQV-IRXDYDNUSA-N 2 0 321.509 2.584 20 0 DFADRP COCCC[NH+]1CCC([NH2+]CCc2ccc(Cl)cc2)CC1 ZINC000459400489 299096637 /nfs/dbraw/zinc/09/66/37/299096637.db2.gz MJHBZGMSWQNCJP-UHFFFAOYSA-N 2 0 310.869 2.973 20 0 DFADRP CCO[C@@H]1C[C@H]([NH2+][C@H](CC[NH+](C)C)C(C)(C)C)[C@H]1SC ZINC000459407042 299098171 /nfs/dbraw/zinc/09/81/71/299098171.db2.gz DNSVKXZBKWNJBA-GBJTYRQASA-N 2 0 302.528 2.851 20 0 DFADRP CCC[NH+]1CCC(C[NH2+][C@@H]2C[C@@H](OCC)[C@H]2SC)CC1 ZINC000459405396 299098351 /nfs/dbraw/zinc/09/83/51/299098351.db2.gz KATCRRQHHSOXAZ-OAGGEKHMSA-N 2 0 300.512 2.607 20 0 DFADRP CC[NH+]1CCN(C[C@H](C)C[NH2+]Cc2ccc(C3CC3)cc2)CC1 ZINC000459404739 299098140 /nfs/dbraw/zinc/09/81/40/299098140.db2.gz JGYYIQYOAXZEPL-QGZVFWFLSA-N 2 0 315.505 2.927 20 0 DFADRP CCc1ccc2[nH+]ccc(NC[C@@H](C)N3CC[NH+](C)CC3)c2c1 ZINC000295629325 529731963 /nfs/dbraw/zinc/73/19/63/529731963.db2.gz XHPNWZIUIQIQGK-OAHLLOKOSA-N 2 0 312.461 2.845 20 0 DFADRP CN(C)c1ccccc1C[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000297624320 529794796 /nfs/dbraw/zinc/79/47/96/529794796.db2.gz LNYAQJLIZLAGAR-UHFFFAOYSA-N 2 0 310.445 2.906 20 0 DFADRP CC[C@@H]([NH2+]Cc1ccccc1C[N@@H+]1CCC[C@H]1CO)C1CC1 ZINC000272782537 210186887 /nfs/dbraw/zinc/18/68/87/210186887.db2.gz WDRJGSSZQQBYOM-RBUKOAKNSA-N 2 0 302.462 2.922 20 0 DFADRP CC[C@H]([NH2+]Cc1ccccc1C[N@@H+]1CCC[C@@H]1CO)C1CC1 ZINC000272782525 210186775 /nfs/dbraw/zinc/18/67/75/210186775.db2.gz WDRJGSSZQQBYOM-MOPGFXCFSA-N 2 0 302.462 2.922 20 0 DFADRP CCO[C@@H]1C[C@H]([NH2+]CCN2[C@H](C)CCC[C@H]2C)[C@H]1SC ZINC000459425443 299102996 /nfs/dbraw/zinc/10/29/96/299102996.db2.gz KHQSOWKWTQGZJB-IBEHDNSVSA-N 2 0 300.512 2.748 20 0 DFADRP COC(=O)c1cccc(C[N@@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)c1 ZINC000592433657 398425358 /nfs/dbraw/zinc/42/53/58/398425358.db2.gz OBQCAKCFLCEMDL-MSOLQXFVSA-N 2 0 316.445 2.685 20 0 DFADRP CC[C@@H]1C[N@H+](Cc2ccc3oc(C(=O)OC)cc3c2)CC[C@@H]1[NH3+] ZINC000592489438 398432880 /nfs/dbraw/zinc/43/28/80/398432880.db2.gz VUGWWOJKGQKCIW-HIFRSBDPSA-N 2 0 316.401 2.779 20 0 DFADRP C[C@@H]1CCC[N@H+](Cc2ccc(NC(=O)[C@H]3CC[C@H]([NH3+])C3)cc2)C1 ZINC000262673000 398433617 /nfs/dbraw/zinc/43/36/17/398433617.db2.gz PUVAGCDAACFJNK-PVAVHDDUSA-N 2 0 315.461 2.984 20 0 DFADRP CC[NH+](CC)[C@H](C(=O)N[C@@H](C)CC[NH+](C)C)c1ccccc1 ZINC000067483179 398437199 /nfs/dbraw/zinc/43/71/99/398437199.db2.gz DTIBZXWLBYGQCE-RDJZCZTQSA-N 2 0 305.466 2.526 20 0 DFADRP O[C@@H]1CC[N@H+](Cc2ccccc2C[NH2+]C2CC3(CCC3)C2)C1 ZINC000459456303 299111509 /nfs/dbraw/zinc/11/15/09/299111509.db2.gz DVZSNEKPFNCKCJ-GOSISDBHSA-N 2 0 300.446 2.676 20 0 DFADRP C[C@H](NC1CC[NH+](C2CC2)CC1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000459466175 299114162 /nfs/dbraw/zinc/11/41/62/299114162.db2.gz OSCLWSOCZSIQLX-JKSUJKDBSA-N 2 0 305.510 2.856 20 0 DFADRP C[C@H](C(=O)Nc1ccccc1)[NH+]1CCC(CC[NH+](C)C)CC1 ZINC000056522410 282425831 /nfs/dbraw/zinc/42/58/31/282425831.db2.gz PCLQKQWPBZEQEJ-OAHLLOKOSA-N 2 0 303.450 2.677 20 0 DFADRP COCCCOc1cccc(C[NH2+][C@H]2CC[N@H+](C)C[C@H]2C)c1 ZINC000090718704 398491887 /nfs/dbraw/zinc/49/18/87/398491887.db2.gz HVPFQBWEKOSUAF-QAPCUYQASA-N 2 0 306.450 2.532 20 0 DFADRP CC(C)[N@@H+]1CC[C@H](C[NH2+][C@H]2CCCN(Cc3ccccc3)C2)C1 ZINC000302907809 398496250 /nfs/dbraw/zinc/49/62/50/398496250.db2.gz YAPGZLFIAGRORG-UXHICEINSA-N 2 0 315.505 2.971 20 0 DFADRP COc1ccc(OC)c(CCC[NH2+][C@H]2CC[N@H+](C)C[C@@H]2C)c1 ZINC000090888340 398495580 /nfs/dbraw/zinc/49/55/80/398495580.db2.gz MRFIWIQJUJYEBP-YOEHRIQHSA-N 2 0 306.450 2.566 20 0 DFADRP C[C@H]([NH2+]CC[C@@H]1CCCC[N@@H+]1C)c1ccc(-n2cncn2)cc1 ZINC000272703390 210109510 /nfs/dbraw/zinc/10/95/10/210109510.db2.gz ZLZCPKRPRKBBNH-RDJZCZTQSA-N 2 0 313.449 2.792 20 0 DFADRP COCCC[NH+]1CCC([NH2+][C@H](c2cccnc2)C(C)C)CC1 ZINC000091317670 398526745 /nfs/dbraw/zinc/52/67/45/398526745.db2.gz MDAXLUVENTWSRJ-SFHVURJKSA-N 2 0 305.466 2.869 20 0 DFADRP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@H](C)c2cccc(F)c2)CC1 ZINC000121345759 185784753 /nfs/dbraw/zinc/78/47/53/185784753.db2.gz PVRYFHUYJOEKBE-HZPDHXFCSA-N 2 0 307.457 2.750 20 0 DFADRP C[C@]1(C(=O)Nc2ccc(C[NH+]3CCCC3)cc2)CCCC[NH2+]1 ZINC000317388420 398535559 /nfs/dbraw/zinc/53/55/59/398535559.db2.gz GJWWOSVBDOIIMY-GOSISDBHSA-N 2 0 301.434 2.753 20 0 DFADRP CC[C@H]([NH2+]Cc1ccncc1OCCC[NH+](C)C)[C@H]1C[C@@H]1C ZINC000414123828 295769980 /nfs/dbraw/zinc/76/99/80/295769980.db2.gz BXJNBWHSQVEXPZ-XIRDDKMYSA-N 2 0 305.466 2.936 20 0 DFADRP Cc1cc2ncc([C@H](C)[NH2+]CC3(C)CC[NH+](C)CC3)c(C)n2n1 ZINC000272616169 210015828 /nfs/dbraw/zinc/01/58/28/210015828.db2.gz XGKXJIOLWSFTRP-AWEZNQCLSA-N 2 0 315.465 2.729 20 0 DFADRP CC[C@H]([NH2+]Cc1ccc2c[nH+]cn2c1)C1(C(=O)OC)CCC1 ZINC000414179514 295774854 /nfs/dbraw/zinc/77/48/54/295774854.db2.gz KJTKTRFBVRCDRS-HNNXBMFYSA-N 2 0 301.390 2.546 20 0 DFADRP CC[C@H]1CC[C@H]1[NH2+]CC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000414310350 295787117 /nfs/dbraw/zinc/78/71/17/295787117.db2.gz SWCLKPIHPBLPCL-ZWKOTPCHSA-N 2 0 302.462 2.792 20 0 DFADRP C[NH+](C)CCOc1ccc(C[NH2+]Cc2[nH]nc3ccccc32)cc1 ZINC000589641567 398567103 /nfs/dbraw/zinc/56/71/03/398567103.db2.gz ORROJJCRRLHDLS-UHFFFAOYSA-N 2 0 324.428 2.793 20 0 DFADRP CC(C)[C@H](C)[NH2+]Cc1ccc(C[NH+]2CCC(C(N)=O)CC2)cc1 ZINC000414324235 295788258 /nfs/dbraw/zinc/78/82/58/295788258.db2.gz KJOBSVPBVDCWEY-HNNXBMFYSA-N 2 0 317.477 2.518 20 0 DFADRP COC(=O)c1ccc(C[NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)cc1Cl ZINC000597159185 398579336 /nfs/dbraw/zinc/57/93/36/398579336.db2.gz ZDPUFRBLOUJYGB-BETUJISGSA-N 2 0 310.825 2.556 20 0 DFADRP CC(C)CC[NH+]1CCC(CNC(=O)CCC2CC[NH2+]CC2)CC1 ZINC000236712633 201977089 /nfs/dbraw/zinc/97/70/89/201977089.db2.gz AQXDFAULNFWXOD-UHFFFAOYSA-N 2 0 323.525 2.641 20 0 DFADRP CC[NH+](CC)Cc1ccc(C(=O)N2CCC[N@@H+](C(C)C)CC2)o1 ZINC000590037025 398591239 /nfs/dbraw/zinc/59/12/39/398591239.db2.gz CPMIWTBNYVPLCZ-UHFFFAOYSA-N 2 0 321.465 2.678 20 0 DFADRP CCOC(=O)[C@@H]1CC[C@H]([NH2+]Cc2ccccc2C[NH2+]C)C[C@@H]1C ZINC000593318404 398597556 /nfs/dbraw/zinc/59/75/56/398597556.db2.gz OVBZICYZVGWVCD-JCGIZDLHSA-N 2 0 318.461 2.864 20 0 DFADRP CCO[C@@H]1C[C@@H]([NH2+]CC2CC[NH+](CC3CC3)CC2)[C@H]1SC ZINC000597248361 398606714 /nfs/dbraw/zinc/60/67/14/398606714.db2.gz RKWJITOUBMADKA-BRWVUGGUSA-N 2 0 312.523 2.607 20 0 DFADRP CCO[C@@H]1C[C@H]([NH2+]C[C@H]2CCC[N@H+](CC3CC3)C2)[C@H]1SC ZINC000597257794 398609112 /nfs/dbraw/zinc/60/91/12/398609112.db2.gz WIEGFJVCRHDQRD-YYIAUSFCSA-N 2 0 312.523 2.607 20 0 DFADRP C[NH2+][C@@H](C)Cc1noc(-c2cccc(C[NH+]3CCCCC3)c2)n1 ZINC000414645017 295810971 /nfs/dbraw/zinc/81/09/71/295810971.db2.gz NBVSHMWGAFFUJI-AWEZNQCLSA-N 2 0 314.433 2.873 20 0 DFADRP CSc1ccc([C@@H](C)NC[C@@H](O)C[NH+]2CCCCC2)cc1 ZINC000173345466 186178923 /nfs/dbraw/zinc/17/89/23/186178923.db2.gz KKMNFLASBDWAQP-GDBMZVCRSA-N 2 0 308.491 2.906 20 0 DFADRP C[C@H]([NH2+]Cc1cccnc1N1CC[NH+](C)CC1)c1ccccc1 ZINC000173357282 186180294 /nfs/dbraw/zinc/18/02/94/186180294.db2.gz UJHMNDNMMLMLMH-INIZCTEOSA-N 2 0 310.445 2.684 20 0 DFADRP Cc1ccc(CCC[NH+]2CCC([N@H+](C)CCCO)CC2)cc1 ZINC000181887111 186215311 /nfs/dbraw/zinc/21/53/11/186215311.db2.gz MBFGCFIMYWQNJR-UHFFFAOYSA-N 2 0 304.478 2.706 20 0 DFADRP COC(=O)[C@@H]1CCC[C@@H]1[NH2+]C1CC[NH+]([C@@H]2CCCC[C@H]2C)CC1 ZINC000590657619 398646346 /nfs/dbraw/zinc/64/63/46/398646346.db2.gz MAOGEZGJDMFPOK-NRSFXHEJSA-N 2 0 322.493 2.961 20 0 DFADRP C[C@@H]1C[C@@H](NC(=O)[C@@H]([NH3+])C(C)(C)C)CC[N@@H+]1Cc1ccccc1 ZINC000237507278 186299118 /nfs/dbraw/zinc/29/91/18/186299118.db2.gz SYCSQSIQBXWUIU-HYVNUMGLSA-N 2 0 317.477 2.529 20 0 DFADRP COc1cc(C[NH2+]CCCC[NH+]2C[C@H](C)O[C@@H](C)C2)ccc1C ZINC000194267997 186275226 /nfs/dbraw/zinc/27/52/26/186275226.db2.gz UGFZDEHGIABEMH-IRXDYDNUSA-N 2 0 320.477 2.983 20 0 DFADRP C[C@@H]([NH2+]CCCN1CCN(c2cc[nH+]cc2)CC1)c1ccccc1 ZINC000266860481 186362893 /nfs/dbraw/zinc/36/28/93/186362893.db2.gz KVPCYMUMGMWYNV-GOSISDBHSA-N 2 0 324.472 2.945 20 0 DFADRP CCCCCC(=O)NC1CC[NH+](C[C@@H]2CC[NH2+][C@H](C)C2)CC1 ZINC000414688700 295816160 /nfs/dbraw/zinc/81/61/60/295816160.db2.gz DYANVBNWVYVZNP-HZPDHXFCSA-N 2 0 309.498 2.535 20 0 DFADRP COC(=O)C1(C[NH+]2CCC(C[NH+]3CCCCCC3)CC2)CC1 ZINC000590685710 398651516 /nfs/dbraw/zinc/65/15/16/398651516.db2.gz DULYKBBITJYMCM-UHFFFAOYSA-N 2 0 308.466 2.528 20 0 DFADRP C[C@]1(c2ccccc2)CC[C@@H]([NH2+]C[C@@H](O)C[NH+]2CCCC2)C1 ZINC000275903168 186459572 /nfs/dbraw/zinc/45/95/72/186459572.db2.gz SSGMSUKVBYCYPQ-QRVBRYPASA-N 2 0 302.462 2.543 20 0 DFADRP COc1ccc(C[C@H](C)[NH2+][C@@H]2CCCC[C@@H]2C[NH3+])cc1OC ZINC000414805958 295820937 /nfs/dbraw/zinc/82/09/37/295820937.db2.gz PZXKBVKRMHGPMF-NUEKZKHPSA-N 2 0 306.450 2.742 20 0 DFADRP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)C[C@@H](C)Cc2ccccc2)CC1 ZINC000182038369 199377780 /nfs/dbraw/zinc/37/77/80/199377780.db2.gz VFQKRSMJBQNYQY-ZWKOTPCHSA-N 2 0 318.505 2.890 20 0 DFADRP C[C@@H]([NH3+])CC[NH2+]Cc1ccc(-n2ccc(C(F)(F)F)n2)cc1 ZINC000414817838 295821561 /nfs/dbraw/zinc/82/15/61/295821561.db2.gz BWSYBUGXMIFJKU-LLVKDONJSA-N 2 0 312.339 2.718 20 0 DFADRP C[N@@H+]1CCC[C@@H](CC[NH2+]Cc2cc(Cl)c3c(c2)OCCO3)C1 ZINC000459734877 299176500 /nfs/dbraw/zinc/17/65/00/299176500.db2.gz OSTPDSOJVIMWLK-ZDUSSCGKSA-N 2 0 324.852 2.933 20 0 DFADRP Cc1nc(COc2ccc(C[NH2+]CC[C@@H](C)[NH3+])cc2)cs1 ZINC000414818043 295821534 /nfs/dbraw/zinc/82/15/34/295821534.db2.gz CNUOLLGXILWIOQ-GFCCVEGCSA-N 2 0 305.447 2.857 20 0 DFADRP Cc1cc(Br)c(C[NH2+]CC[C@@H]2CC[NH2+]C2)s1 ZINC000414826534 295822560 /nfs/dbraw/zinc/82/25/60/295822560.db2.gz FPSCYLLHSXUBGN-JTQLQIEISA-N 2 0 303.269 2.908 20 0 DFADRP COc1cc(C[NH2+]CC[C@H]2CCC[NH2+]C2)c(SC)cc1OC ZINC000414827388 295823118 /nfs/dbraw/zinc/82/31/18/295823118.db2.gz BNYZZWVPMJJCKU-CYBMUJFWSA-N 2 0 324.490 2.905 20 0 DFADRP CCCCOc1ccc(C[NH2+]CC[C@H]2CC[NH2+]C2)cc1OC ZINC000414835968 295824196 /nfs/dbraw/zinc/82/41/96/295824196.db2.gz SIMKJUZEVREHKQ-OAHLLOKOSA-N 2 0 306.450 2.963 20 0 DFADRP Cn1c(C[NH2+]CC[C@@H]2CCC[NH2+]C2)nc2ccc(Cl)cc21 ZINC000414847991 295825924 /nfs/dbraw/zinc/82/59/24/295825924.db2.gz WNRGRZXFIAYCNR-LBPRGKRZSA-N 2 0 306.841 2.706 20 0 DFADRP COc1ccc(C[NH2+][C@@H](C)[C@@H]2CCC[NH2+]C2)cc1OC(F)F ZINC000414846903 295825566 /nfs/dbraw/zinc/82/55/66/295825566.db2.gz FJIXVXPUHSARFT-WCQYABFASA-N 2 0 314.376 2.774 20 0 DFADRP C[C@H](CC(=O)Nc1cccc(F)c1)[NH2+][C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000414857132 295827118 /nfs/dbraw/zinc/82/71/18/295827118.db2.gz OYFITJZTHZDWGO-HZSPNIEDSA-N 2 0 307.413 2.521 20 0 DFADRP C[C@@H](CC[NH3+])[NH2+]Cc1cn(-c2ccccc2)nc1-c1cccnc1 ZINC000414894397 295831438 /nfs/dbraw/zinc/83/14/38/295831438.db2.gz LHGKWEXUPYNDDY-HNNXBMFYSA-N 2 0 321.428 2.761 20 0 DFADRP C[C@]1(C[NH2+]Cc2c[nH]nc2-c2ccccc2F)CCC[NH2+]C1 ZINC000414896262 295831685 /nfs/dbraw/zinc/83/16/85/295831685.db2.gz BFQYNVJUCSCWIR-KRWDZBQOSA-N 2 0 302.397 2.695 20 0 DFADRP Cc1nn(-c2ccc(F)cc2F)c(C)c1C[NH2+][C@H](C)CC[NH3+] ZINC000414893018 295831268 /nfs/dbraw/zinc/83/12/68/295831268.db2.gz JZKNOXHLFOFPPJ-SNVBAGLBSA-N 2 0 308.376 2.594 20 0 DFADRP [NH3+]CCCC[NH2+]Cc1ccc(-n2ccc(C(F)(F)F)n2)cc1 ZINC000414905315 295833083 /nfs/dbraw/zinc/83/30/83/295833083.db2.gz NXVNVQGOCAKWFD-UHFFFAOYSA-N 2 0 312.339 2.720 20 0 DFADRP COc1ccc(C[NH2+][C@@H]2CCC[C@H]([NH3+])C2)cc1Br ZINC000414906942 295833088 /nfs/dbraw/zinc/83/30/88/295833088.db2.gz ABXNECBSJUTFJY-NWDGAFQWSA-N 2 0 313.239 2.817 20 0 DFADRP [NH3+][C@@H]1CCC[C@H]([NH2+]Cc2ccc(Br)c(F)c2)C1 ZINC000414931452 295836748 /nfs/dbraw/zinc/83/67/48/295836748.db2.gz UQIAGAHRRWVGSU-MNOVXSKESA-N 2 0 301.203 2.948 20 0 DFADRP COCC1(C[NH2+]Cc2cccc(C(F)(F)F)c2)CC[NH2+]CC1 ZINC000414950642 295839662 /nfs/dbraw/zinc/83/96/62/295839662.db2.gz FPTACDNVOSDKGJ-UHFFFAOYSA-N 2 0 316.367 2.811 20 0 DFADRP CC(C)(C)[NH+]1CCC(NC[C@H]2[NH2+]CCc3ccccc32)CC1 ZINC000414959507 295840786 /nfs/dbraw/zinc/84/07/86/295840786.db2.gz SGUYHSKKNUPBHD-GOSISDBHSA-N 2 0 301.478 2.726 20 0 DFADRP COc1ccc(NC(=O)C[C@@H](C)[NH2+]CCC[C@@H]2CCC[NH2+]2)cc1 ZINC000414967096 295842103 /nfs/dbraw/zinc/84/21/03/295842103.db2.gz GVKWDVBMDJRDPM-HUUCEWRRSA-N 2 0 319.449 2.534 20 0 DFADRP Cc1ccccc1NC(=O)C[C@H](C)[NH2+]CCC[C@H]1CCC[NH2+]1 ZINC000414977736 295843313 /nfs/dbraw/zinc/84/33/13/295843313.db2.gz RQIWETAEILOAOJ-HOTGVXAUSA-N 2 0 303.450 2.834 20 0 DFADRP COc1ccc(C[NH2+]C[C@H]2CCC[C@H]([NH3+])C2)cc1OC(F)F ZINC000414995754 295845236 /nfs/dbraw/zinc/84/52/36/295845236.db2.gz NVZNXRPPLNOISO-AAEUAGOBSA-N 2 0 314.376 2.904 20 0 DFADRP [NH3+][C@@H]1CCC[C@H](C[NH2+]Cc2cnn(Cc3ccc(F)cc3)c2)C1 ZINC000414998523 295845484 /nfs/dbraw/zinc/84/54/84/295845484.db2.gz ICCKGDSMOOUTKT-MAUKXSAKSA-N 2 0 316.424 2.678 20 0 DFADRP COc1cccc(C[NH2+]C[C@@H]2CCC[C@@H]([NH3+])C2)c1OC(F)F ZINC000414995555 295845055 /nfs/dbraw/zinc/84/50/55/295845055.db2.gz NLZBRSFKCJTDNS-DGCLKSJQSA-N 2 0 314.376 2.904 20 0 DFADRP CCOc1c(OC)cc(C[NH2+]C[C@@H]2CCC[C@@H]([NH3+])C2)cc1OC ZINC000414996579 295845214 /nfs/dbraw/zinc/84/52/14/295845214.db2.gz OQNFAQFQHNABBK-UKRRQHHQSA-N 2 0 322.449 2.710 20 0 DFADRP [NH3+][C@@H]1CCC[C@@H](C[NH2+]Cc2ccc(OC[C@@H]3CCCO3)cc2)C1 ZINC000415003473 295846151 /nfs/dbraw/zinc/84/61/51/295846151.db2.gz XHHJPBRRLORJSX-LMMKCTJWSA-N 2 0 318.461 2.852 20 0 DFADRP Cc1nn(-c2ccc(F)cc2F)c(C)c1C[NH2+][C@@H](C)CCC[NH3+] ZINC000415018611 295847618 /nfs/dbraw/zinc/84/76/18/295847618.db2.gz HESHUXIAYNGMNB-NSHDSACASA-N 2 0 322.403 2.984 20 0 DFADRP COc1cccc(C[NH2+][C@@H]2C[C@H]2C2CC[NH2+]CC2)c1OC(C)C ZINC000415015743 295847624 /nfs/dbraw/zinc/84/76/24/295847624.db2.gz ZDXYHPJRDFPXMJ-DLBZAZTESA-N 2 0 318.461 2.960 20 0 DFADRP OC1(C[NH2+][C@@H]2CCC[C@H]3C[C@H]32)CC[NH+](Cc2ccccc2)CC1 ZINC000397519578 398681167 /nfs/dbraw/zinc/68/11/67/398681167.db2.gz UHZJGBACSLESOX-IPMKNSEASA-N 2 0 314.473 2.792 20 0 DFADRP CCOc1ccc(C[NH2+]C[C@H]2CC[C@H](C[NH3+])CC2)cc1OC ZINC000415027781 295848492 /nfs/dbraw/zinc/84/84/92/295848492.db2.gz WXSOKWYTQRAKOH-SHTZXODSSA-N 2 0 306.450 2.949 20 0 DFADRP C[C@H](CC(=O)Nc1cccc(Cl)c1)[NH2+][C@H]1CC[C@H](C[NH3+])C1 ZINC000415027870 295848546 /nfs/dbraw/zinc/84/85/46/295848546.db2.gz BUMFWNVIJKKCSO-XUJVJEKNSA-N 2 0 309.841 2.774 20 0 DFADRP [NH3+]C[C@@H]1CC[C@@H]([NH2+]Cc2ccc(OCC(F)(F)F)cc2)C1 ZINC000415037445 295849636 /nfs/dbraw/zinc/84/96/36/295849636.db2.gz MKIYHPNLAFLXRK-CHWSQXEVSA-N 2 0 302.340 2.845 20 0 DFADRP [NH3+]C[C@H]1CC[C@H]([NH2+]Cc2cc(F)ccc2Br)C1 ZINC000415037895 295850004 /nfs/dbraw/zinc/85/00/04/295850004.db2.gz MTRGKJUQEQTUGM-CABZTGNLSA-N 2 0 301.203 2.805 20 0 DFADRP COC(=O)c1ccc(Cl)c(C[NH2+]CC[C@@H]2CCC[N@H+](C)C2)c1 ZINC000459794325 299195057 /nfs/dbraw/zinc/19/50/57/299195057.db2.gz UJIVXNOIPUBDPA-ZDUSSCGKSA-N 2 0 324.852 2.948 20 0 DFADRP CSc1ccc([C@@H](C)[NH2+][C@H](C)CN2CC[NH+](C)CC2)cc1 ZINC000173399789 198210716 /nfs/dbraw/zinc/21/07/16/198210716.db2.gz SLICFNNYXDUHBL-HUUCEWRRSA-N 2 0 307.507 2.695 20 0 DFADRP CC(C)[C@H]([NH2+][C@@H](C)[C@H]1CC[NH2+]C1)c1ccc2c(c1)OCCO2 ZINC000415072868 295854833 /nfs/dbraw/zinc/85/48/33/295854833.db2.gz AFSNEYHBLPBFBD-YEWWUXTCSA-N 2 0 304.434 2.743 20 0 DFADRP C[C@H]1C[C@H](C[NH2+]C2CCN(Cc3ccccc3)CC2)CC[NH2+]1 ZINC000415084106 295855789 /nfs/dbraw/zinc/85/57/89/295855789.db2.gz QZTDJWSNIQAPCZ-FUHWJXTLSA-N 2 0 301.478 2.629 20 0 DFADRP C[C@@H]1C[C@H](C[NH2+][C@H]2CCO[C@H]2c2ccc(F)c(F)c2)CC[NH2+]1 ZINC000415085597 295856157 /nfs/dbraw/zinc/85/61/57/295856157.db2.gz ILFFRMZADBSQDU-UDVXPWBQSA-N 2 0 310.388 2.773 20 0 DFADRP OCC1([C@H]([NH2+]C[C@@H]2CCC[NH2+]C2)c2ccccc2)CCCC1 ZINC000415093070 295857208 /nfs/dbraw/zinc/85/72/08/295857208.db2.gz BORKOEQJCFFVSO-SJLPKXTDSA-N 2 0 302.462 2.870 20 0 DFADRP C[C@H]([NH2+]C1CCN(Cc2ccc(F)c(F)c2)CC1)[C@@H]1CC[NH2+]C1 ZINC000415096321 295857418 /nfs/dbraw/zinc/85/74/18/295857418.db2.gz BCUKMLXXQQMNFW-DZGCQCFKSA-N 2 0 323.431 2.517 20 0 DFADRP O=C(Nc1cccc(C[NH2+]C[C@@H]2CCC[NH2+]C2)c1)C1CCC1 ZINC000415096601 295857514 /nfs/dbraw/zinc/85/75/14/295857514.db2.gz BPRQOGDDGQZXND-OAHLLOKOSA-N 2 0 301.434 2.514 20 0 DFADRP Cc1ccc(F)cc1C[NH+]1CCC([C@H]2OCCC[C@H]2[NH3+])CC1 ZINC000415100558 295858179 /nfs/dbraw/zinc/85/81/79/295858179.db2.gz APNVTUUADNJSPC-QZTJIDSGSA-N 2 0 306.425 2.852 20 0 DFADRP CCOc1cccc(C[NH+]2CCC([C@@H]3OCCC[C@@H]3[NH3+])CC2)c1 ZINC000415102497 295858348 /nfs/dbraw/zinc/85/83/48/295858348.db2.gz CKCHYPAKRSEWEJ-OALUTQOASA-N 2 0 318.461 2.804 20 0 DFADRP CCOc1ccccc1C[NH+]1CCC([C@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000415100773 295858016 /nfs/dbraw/zinc/85/80/16/295858016.db2.gz AKSUYLICRNFXEZ-PKOBYXMFSA-N 2 0 318.461 2.804 20 0 DFADRP C[C@H](CC1CCOCC1)C[NH+]1CCC([C@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000415107732 295859003 /nfs/dbraw/zinc/85/90/03/295859003.db2.gz LLZCAMVOZLOXDS-AYOQOUSVSA-N 2 0 324.509 2.658 20 0 DFADRP COc1ccc2c(c1)OC[C@H]([NH2+][C@@H](C)C[C@@H]1CCCCC[NH2+]1)C2 ZINC000415113790 295859669 /nfs/dbraw/zinc/85/96/69/295859669.db2.gz SNZVXMKDBFYDAC-BHYGNILZSA-N 2 0 318.461 2.899 20 0 DFADRP C[C@@H]([NH2+]CC1CC[NH2+]CC1)c1nc(-c2cccc(F)c2)no1 ZINC000415116103 295860346 /nfs/dbraw/zinc/86/03/46/295860346.db2.gz YZMSRKYQWONLRK-LLVKDONJSA-N 2 0 304.369 2.526 20 0 DFADRP CCCC[C@@H](C[NH3+])NC(=O)[C@@H](c1ccccc1)[NH+](CC)CC ZINC000236849641 282904052 /nfs/dbraw/zinc/90/40/52/282904052.db2.gz WAFKDWIRGGVKQL-DLBZAZTESA-N 2 0 305.466 2.703 20 0 DFADRP COCCOc1ccc([C@H](C)[NH2+]CC2CC[NH+](C)CC2)cc1 ZINC000126235127 282904705 /nfs/dbraw/zinc/90/47/05/282904705.db2.gz AMKIKMRKWZDATF-HNNXBMFYSA-N 2 0 306.450 2.704 20 0 DFADRP CC[NH+](CC)[C@H](C(=O)NC[C@H]1CCC[N@H+](C)C1)c1ccccc1 ZINC000108462049 398711594 /nfs/dbraw/zinc/71/15/94/398711594.db2.gz DXHKNUDUYVZQLX-AEFFLSMTSA-N 2 0 317.477 2.528 20 0 DFADRP CC(C)C[NH+]1CCC(NC(=O)[C@H](C)[C@@H]([NH3+])c2ccccc2)CC1 ZINC000236772203 202001847 /nfs/dbraw/zinc/00/18/47/202001847.db2.gz OJQYBYDLEFJGJC-CRAIPNDOSA-N 2 0 317.477 2.559 20 0 DFADRP C[C@H]1C[C@@H](C(=O)N2CCC[C@H]([NH+]3CCCCCC3)C2)CC[N@@H+]1C ZINC000377959372 291038333 /nfs/dbraw/zinc/03/83/33/291038333.db2.gz ZWEASXUBIRLLJY-BZSNNMDCSA-N 2 0 321.509 2.584 20 0 DFADRP C[C@H]1C[C@@H](C(=O)N2CCC[C@H]2C[NH+]2CCCCCC2)CC[N@@H+]1C ZINC000368250727 291038850 /nfs/dbraw/zinc/03/88/50/291038850.db2.gz RHXBJZAHXPGPEP-BZSNNMDCSA-N 2 0 321.509 2.584 20 0 DFADRP CN(CC[NH+]1CCC(C[NH+]2CCCC2)CC1)c1ccccc1 ZINC000131393986 283083436 /nfs/dbraw/zinc/08/34/36/283083436.db2.gz KBFFDUOBYISVBM-UHFFFAOYSA-N 2 0 301.478 2.931 20 0 DFADRP C[NH+](C)CCCC(C)(C)NC(=O)Nc1ccc2c(c1)C[NH2+]CC2 ZINC000415898674 295899705 /nfs/dbraw/zinc/89/97/05/295899705.db2.gz RCOAPWOPPDGCQH-UHFFFAOYSA-N 2 0 318.465 2.574 20 0 DFADRP CC[NH2+]Cc1ccccc1NC(=O)N[C@H](C)C[NH+]1CCCCC1 ZINC000415946143 295905437 /nfs/dbraw/zinc/90/54/37/295905437.db2.gz STFXCAULEZJVBE-OAHLLOKOSA-N 2 0 318.465 2.792 20 0 DFADRP CC(C)CN(C(=O)C1CC[NH+](C(C)C)CC1)C1CC[NH+](C)CC1 ZINC000074676870 398759216 /nfs/dbraw/zinc/75/92/16/398759216.db2.gz UVXWEUOIBYOBHS-UHFFFAOYSA-N 2 0 323.525 2.686 20 0 DFADRP C[N@@H+]1CC[C@H](C(=O)Nc2ccc(CC[NH+]3CCCCC3)cc2)C1 ZINC000591440905 398761680 /nfs/dbraw/zinc/76/16/80/398761680.db2.gz JWCMIEGYBSJLNT-KRWDZBQOSA-N 2 0 315.461 2.605 20 0 DFADRP C/C=C/C[C@@H](CO)[NH2+]Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000681135858 545602255 /nfs/dbraw/zinc/60/22/55/545602255.db2.gz IODIRMCNTVKXPL-DCKQQPRJSA-N 2 0 318.461 2.578 20 0 DFADRP FC(F)(F)c1ccc(N2CC[NH+](CCn3ccnc3)CC2)cc1 ZINC000133351140 283148128 /nfs/dbraw/zinc/14/81/28/283148128.db2.gz VUINOMWGRXOLKT-UHFFFAOYSA-N 2 0 324.350 2.724 20 0 DFADRP CC[NH+](CC)CC1CC[NH+](CC(=O)N[C@H]2CCCC[C@@H]2C)CC1 ZINC000047977278 398766821 /nfs/dbraw/zinc/76/68/21/398766821.db2.gz SGHLEDAMKBGUAY-WMZOPIPTSA-N 2 0 323.525 2.735 20 0 DFADRP CC[NH+](CC)CC1CC[NH+](CC(=O)N[C@@H]2CCCC[C@H]2C)CC1 ZINC000047977280 398767119 /nfs/dbraw/zinc/76/71/19/398767119.db2.gz SGHLEDAMKBGUAY-SJLPKXTDSA-N 2 0 323.525 2.735 20 0 DFADRP CCCCC[NH+]1CCN(CC[N@H+](C)Cc2ccccc2)CC1 ZINC000117879405 398768205 /nfs/dbraw/zinc/76/82/05/398768205.db2.gz OWAYLPPWMUFJFL-UHFFFAOYSA-N 2 0 303.494 2.926 20 0 DFADRP CC1=CCC[C@H](C)[C@@H]1C[NH2+]C[C@@H](C(C)C)N1CC[NH+](C)CC1 ZINC000133977006 283168963 /nfs/dbraw/zinc/16/89/63/283168963.db2.gz KBNASPYJLIHTAY-OTWHNJEPSA-N 2 0 307.526 2.840 20 0 DFADRP CC[NH+](CC)[C@@H](CNC(=O)c1ccc(C[NH3+])cc1)CC(C)C ZINC000236837831 202032416 /nfs/dbraw/zinc/03/24/16/202032416.db2.gz FMIRNSGHTQOBJF-QGZVFWFLSA-N 2 0 305.466 2.632 20 0 DFADRP CCC(CC)(CNC(=O)[C@H]1CC[NH2+]C1)[NH2+][C@@H](C)c1ccccc1 ZINC000236869175 202045096 /nfs/dbraw/zinc/04/50/96/202045096.db2.gz RICXLRHMOONGHA-RDJZCZTQSA-N 2 0 317.477 2.622 20 0 DFADRP CCC[C@H]1[C@H](C)CCC[N@@H+]1CC(=O)NC1CC[NH+](C(C)C)CC1 ZINC000464729276 299246667 /nfs/dbraw/zinc/24/66/67/299246667.db2.gz DIJMYPDNDKXXPU-AEFFLSMTSA-N 2 0 323.525 2.876 20 0 DFADRP CCCc1ccc(C[NH2+]CCCN2CCC[N@H+](C)CC2)cc1 ZINC000591716967 398782481 /nfs/dbraw/zinc/78/24/81/398782481.db2.gz CEXZZMGAEBHUAH-UHFFFAOYSA-N 2 0 303.494 2.756 20 0 DFADRP CCC[N@H+](CC)Cc1ccc(C(=O)N2CCC[C@@H]([NH2+]C)C2)cc1 ZINC000261732585 283188470 /nfs/dbraw/zinc/18/84/70/283188470.db2.gz MZFDUHZOULGUTJ-GOSISDBHSA-N 2 0 317.477 2.743 20 0 DFADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+]Cc2cccc3cc[nH]c32)CC1 ZINC000236947640 202086073 /nfs/dbraw/zinc/08/60/73/202086073.db2.gz LAVICHVLIMEMPA-INIZCTEOSA-N 2 0 314.477 2.531 20 0 DFADRP CC[C@@H](C)[C@H]([NH3+])C(=O)Nc1ccc(OCC[NH+](CC)CC)cc1 ZINC000236976996 202105553 /nfs/dbraw/zinc/10/55/53/202105553.db2.gz FJQIGXUFUHENTL-PBHICJAKSA-N 2 0 321.465 2.719 20 0 DFADRP CC[N@H+](Cc1ccc(C(=O)N2CCC([NH2+]C)CC2)cc1)C(C)C ZINC000236992494 202111954 /nfs/dbraw/zinc/11/19/54/202111954.db2.gz CFCNNOFTRCTQPK-UHFFFAOYSA-N 2 0 317.477 2.741 20 0 DFADRP CC[NH+](CC)[C@@H](C(=O)N1CCC[C@H](C[NH2+]C)C1)c1ccccc1 ZINC000237039979 202131826 /nfs/dbraw/zinc/13/18/26/202131826.db2.gz KSSPIZBZTJAVRH-SJLPKXTDSA-N 2 0 317.477 2.528 20 0 DFADRP C[N@H+](CCCNC(=O)CCC1CC[NH2+]CC1)C1CCCCC1 ZINC000237066384 202141521 /nfs/dbraw/zinc/14/15/21/202141521.db2.gz FIZGZYDXSDVAIB-UHFFFAOYSA-N 2 0 309.498 2.537 20 0 DFADRP C[NH+](C)[C@@H](CNC(=O)C[C@H]([NH3+])c1ccccc1)C1CCCCC1 ZINC000237138858 202163079 /nfs/dbraw/zinc/16/30/79/202163079.db2.gz QMPUFTRTQIHCBF-ROUUACIJSA-N 2 0 317.477 2.703 20 0 DFADRP CN(C)CC[NH+]1CCC(C[NH2+]Cc2cccc3cc[nH]c32)CC1 ZINC000237163436 202171384 /nfs/dbraw/zinc/17/13/84/202171384.db2.gz SMBANUYFQLYOSW-UHFFFAOYSA-N 2 0 314.477 2.531 20 0 DFADRP C[NH2+]CCCC(=O)NCc1ccccc1C[N@@H+]1CCCC[C@H]1C ZINC000237182536 202179649 /nfs/dbraw/zinc/17/96/49/202179649.db2.gz YBNNQWFXLUBSMJ-MRXNPFEDSA-N 2 0 317.477 2.677 20 0 DFADRP COc1cc2c(cc1F)[nH+]ccc2N1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000292367474 223027622 /nfs/dbraw/zinc/02/76/22/223027622.db2.gz RRZSGSVFGPIEOK-SFHVURJKSA-N 2 0 315.392 2.915 20 0 DFADRP Cc1ccc(C[C@H]([NH2+]C[C@@H](O)C[NH+]2CCCCC2)C2CC2)cc1 ZINC000151352812 283282124 /nfs/dbraw/zinc/28/21/24/283282124.db2.gz XEALYAAZRXWCBH-UXHICEINSA-N 2 0 316.489 2.753 20 0 DFADRP Cc1ccc(C[C@@H]([NH2+]C[C@H](O)C[NH+]2CCCCC2)C2CC2)cc1 ZINC000151352744 283282152 /nfs/dbraw/zinc/28/21/52/283282152.db2.gz XEALYAAZRXWCBH-VQTJNVASSA-N 2 0 316.489 2.753 20 0 DFADRP CCCn1nc(C)c(C[NH2+]CC2CC[NH+](C3CC3)CC2)c1C ZINC000446885681 297289460 /nfs/dbraw/zinc/28/94/60/297289460.db2.gz BDODOMDZTXKXJR-UHFFFAOYSA-N 2 0 304.482 2.874 20 0 DFADRP COC(=O)c1ccc2c(c1)[C@@H]([NH2+][C@@H](C)CC[NH+](C)C)CCC2 ZINC000594493052 398808666 /nfs/dbraw/zinc/80/86/66/398808666.db2.gz FDYWZQGGGHXMSU-GUYCJALGSA-N 2 0 304.434 2.780 20 0 DFADRP CCC[N@H+](C[C@H]1CCC[NH2+]C1)C[C@H]1COc2ccccc2O1 ZINC000262552894 283289749 /nfs/dbraw/zinc/28/97/49/283289749.db2.gz STHJBPVBWXNLGZ-HOTGVXAUSA-N 2 0 304.434 2.538 20 0 DFADRP COC(=O)c1ccc2c(c1)[C@@H]([NH2+]CCCC[NH+](C)C)CCC2 ZINC000594493268 398809009 /nfs/dbraw/zinc/80/90/09/398809009.db2.gz JOMGYESUVJHVFI-KRWDZBQOSA-N 2 0 304.434 2.782 20 0 DFADRP CC(C)[C@H](C[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1)C(=O)OC(C)(C)C ZINC000594510517 398812771 /nfs/dbraw/zinc/81/27/71/398812771.db2.gz AFNFLQNAHQSKRZ-OAGGEKHMSA-N 2 0 310.482 2.817 20 0 DFADRP C[NH+](C)CCCC1CC[NH+](Cc2cnn3ccccc23)CC1 ZINC000179948744 199097741 /nfs/dbraw/zinc/09/77/41/199097741.db2.gz YWXWNPVXWPSDIM-UHFFFAOYSA-N 2 0 300.450 2.888 20 0 DFADRP CCC[C@@H](C)C[NH2+]Cc1ccc(C(=O)NCC[NH+](C)C)cc1 ZINC000180048321 199112245 /nfs/dbraw/zinc/11/22/45/199112245.db2.gz ATJFIQPOYWZWHL-OAHLLOKOSA-N 2 0 305.466 2.504 20 0 DFADRP COCCOc1ccc(C[NH2+]CC(C)(C)C[NH+]2CCCC2)cc1 ZINC000276688768 213047393 /nfs/dbraw/zinc/04/73/93/213047393.db2.gz JXXXYALYYJQCEN-UHFFFAOYSA-N 2 0 320.477 2.923 20 0 DFADRP CC[NH+]1CCN([C@H](C)C[NH2+][C@@H](C)c2ccc(F)c(OC)c2)CC1 ZINC000152910045 283344560 /nfs/dbraw/zinc/34/45/60/283344560.db2.gz IXGYCONGNPNUTG-CABCVRRESA-N 2 0 323.456 2.511 20 0 DFADRP C[NH+](C)CCCC1CC[NH+](Cc2cccc3nccn32)CC1 ZINC000180481462 199164791 /nfs/dbraw/zinc/16/47/91/199164791.db2.gz IXDVHWCGOROOCI-UHFFFAOYSA-N 2 0 300.450 2.888 20 0 DFADRP C[C@@H]1C[C@@H]1c1ccc(C[NH2+]C2CCN(CC[NH+](C)C)CC2)o1 ZINC000237359901 202243172 /nfs/dbraw/zinc/24/31/72/202243172.db2.gz HOMQMWMYTDNSHW-PBHICJAKSA-N 2 0 305.466 2.519 20 0 DFADRP COC(=O)[C@@H]1C[C@H]1[C@@H](C)[NH2+]C1CCC([NH+]2CCC(C)CC2)CC1 ZINC000594934699 398875526 /nfs/dbraw/zinc/87/55/26/398875526.db2.gz FGZVWZTWAPRIFM-ZTJXHEDMSA-N 2 0 322.493 2.817 20 0 DFADRP CCN1C[C@H](C)[C@H]([NH2+]CCc2cccc(Br)c2)C1 ZINC000468508252 299279551 /nfs/dbraw/zinc/27/95/51/299279551.db2.gz XVDHNTZLGJRGAR-SWLSCSKDSA-N 2 0 311.267 2.921 20 0 DFADRP CC[C@H](C)[C@@H](C)[NH2+]Cc1ccc(C(=O)NCC[NH+](C)C)cc1 ZINC000180998672 199238557 /nfs/dbraw/zinc/23/85/57/199238557.db2.gz XWXVHSOJQIRNNM-LSDHHAIUSA-N 2 0 305.466 2.502 20 0 DFADRP O[C@H]1CC[N@H+](Cc2ccccc2C[NH2+]C[C@H]2CC=CCC2)C1 ZINC000180996250 199238780 /nfs/dbraw/zinc/23/87/80/199238780.db2.gz JJWQNOBJTIOSEJ-LPHOPBHVSA-N 2 0 300.446 2.699 20 0 DFADRP COC(=O)CC(C)(C)C[C@@H](C)[NH2+]C1CC[NH+](C2CCC2)CC1 ZINC000595013692 398891599 /nfs/dbraw/zinc/89/15/99/398891599.db2.gz JYZCRFYIQKSVNP-CQSZACIVSA-N 2 0 310.482 2.961 20 0 DFADRP C[C@H](CNC(=O)CC1(C[NH3+])CCCCC1)C[NH+]1CCCCC1 ZINC000185351572 199841813 /nfs/dbraw/zinc/84/18/13/199841813.db2.gz VDDIZKRRFMHMSG-MRXNPFEDSA-N 2 0 309.498 2.524 20 0 DFADRP CCCCCOc1ccc(C[NH2+]CC2(O)CC[NH+](C)CC2)cc1 ZINC000077450349 398904260 /nfs/dbraw/zinc/90/42/60/398904260.db2.gz PILWBVIQZDSYKN-UHFFFAOYSA-N 2 0 320.477 2.802 20 0 DFADRP C[NH+]1CCC(O)(C[NH2+]Cc2ccccc2OC2CCCC2)CC1 ZINC000077450235 398904857 /nfs/dbraw/zinc/90/48/57/398904857.db2.gz CNFNOQDUBPDQDM-UHFFFAOYSA-N 2 0 318.461 2.554 20 0 DFADRP C[NH+](C)[C@@H]1CCC[N@H+](CCCc2ccc3c(c2)CCO3)CC1 ZINC000281019008 216024932 /nfs/dbraw/zinc/02/49/32/216024932.db2.gz ZDZAGPZHVDXTEA-GOSISDBHSA-N 2 0 302.462 2.970 20 0 DFADRP CC(C)[C@H](Cc1ccccc1)[NH2+]CCN1CCC([NH+](C)C)CC1 ZINC000187278700 200087275 /nfs/dbraw/zinc/08/72/75/200087275.db2.gz WOOXARWYYCJKJF-FQEVSTJZSA-N 2 0 317.521 2.869 20 0 DFADRP CN1c2ccc(C[NH2+][C@H]3CCC[C@@H]([NH+](C)C)C3)cc2CCC1=O ZINC000187281909 200088192 /nfs/dbraw/zinc/08/81/92/200088192.db2.gz JETVFMNUHRJOKG-DLBZAZTESA-N 2 0 315.461 2.558 20 0 DFADRP COCCC[NH+]1CCC([NH2+][C@H](C)Cc2ccccc2F)CC1 ZINC000187931663 200178319 /nfs/dbraw/zinc/17/83/19/200178319.db2.gz OBOZPVWSPQWSJK-OAHLLOKOSA-N 2 0 308.441 2.847 20 0 DFADRP C[C@H](CC(=O)NCC(C)(C)[N@@H+]1CCC[C@@H](C)C1)C1CC[NH2+]CC1 ZINC000237531098 202273362 /nfs/dbraw/zinc/27/33/62/202273362.db2.gz VMSIGJUOQSVPOC-HZPDHXFCSA-N 2 0 323.525 2.639 20 0 DFADRP C[C@H](CC(=O)NC[C@H](C1CCCCC1)[NH+](C)C)[C@@H]1CCC[NH2+]C1 ZINC000237652874 202319351 /nfs/dbraw/zinc/31/93/51/202319351.db2.gz IAWWQRALIBPRJR-KBAYOESNSA-N 2 0 323.525 2.639 20 0 DFADRP C[C@@H]1CN(C2CC2)C[C@@H]1[NH2+]CCc1ccccc1OC(F)F ZINC000471779349 299303486 /nfs/dbraw/zinc/30/34/86/299303486.db2.gz JBGYNDJORQZIII-DOMZBBRYSA-N 2 0 310.388 2.903 20 0 DFADRP C[C@@H](C[NH2+][C@@H](C)[C@@H]1C[C@H]1c1cccs1)CN1CC[NH+](C)CC1 ZINC000417318638 296009511 /nfs/dbraw/zinc/00/95/11/296009511.db2.gz ZJJWEKNSIGRXAD-LUKYLMHMSA-N 2 0 321.534 2.713 20 0 DFADRP C[C@@H]([NH2+]CCN1CCC([NH+](C)C)CC1)[C@@H]1C[C@H]1c1cccs1 ZINC000417311940 296009094 /nfs/dbraw/zinc/00/90/94/296009094.db2.gz MQQPAWRUHBWJMT-HYVNUMGLSA-N 2 0 321.534 2.856 20 0 DFADRP CC[NH+]1CCN([C@@H](C)C[NH2+][C@@H](C)[C@@H]2C[C@H]2c2cccs2)CC1 ZINC000417324600 296009958 /nfs/dbraw/zinc/00/99/58/296009958.db2.gz PYJRLPNTUZZSPU-LUKYLMHMSA-N 2 0 321.534 2.856 20 0 DFADRP CCC[C@@H]([NH2+]C(C)C)C(=O)N(CC)CC[NH+]1CCCCCC1 ZINC000360241640 283546785 /nfs/dbraw/zinc/54/67/85/283546785.db2.gz LZSJYDRYDKFKEG-QGZVFWFLSA-N 2 0 311.514 2.878 20 0 DFADRP C[C@@]1(O)C[C@H]([NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC000417392410 296016451 /nfs/dbraw/zinc/01/64/51/296016451.db2.gz BJJNMTBDNFIRNK-HWHMVJPJSA-N 2 0 300.446 2.685 20 0 DFADRP c1ccc2c(c1)[nH+]ccc2N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000078250029 398944477 /nfs/dbraw/zinc/94/44/77/398944477.db2.gz MBNPIDKQUMWONY-INIZCTEOSA-N 2 0 311.429 2.783 20 0 DFADRP C[C@H]1COCC[C@H]1[NH2+]Cc1ccc(OCCC[NH+](C)C)cc1 ZINC000191750985 200758022 /nfs/dbraw/zinc/75/80/22/200758022.db2.gz PURPOGIAFWHNPS-MAUKXSAKSA-N 2 0 306.450 2.532 20 0 DFADRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+]C[C@@H](C)CCc1ccccc1 ZINC000472145369 299321075 /nfs/dbraw/zinc/32/10/75/299321075.db2.gz GMLNNJCEIFQNQH-RBUKOAKNSA-N 2 0 317.521 2.871 20 0 DFADRP C[C@H](CCc1ccccc1)C[NH2+][C@@H](C)CCN1CC[NH+](C)CC1 ZINC000472145367 299321028 /nfs/dbraw/zinc/32/10/28/299321028.db2.gz GMLNNJCEIFQNQH-MOPGFXCFSA-N 2 0 317.521 2.871 20 0 DFADRP C[C@H](CCC[NH3+])NC(=O)NCC(C)(C)[NH2+][C@H](C)c1ccccc1 ZINC000417621239 296036255 /nfs/dbraw/zinc/03/62/55/296036255.db2.gz HBKKEPQTQSIEAF-HUUCEWRRSA-N 2 0 320.481 2.542 20 0 DFADRP C[C@@H]1CCC[C@H](NC(=O)C[NH+]2CCC(CC[NH+](C)C)CC2)[C@@H]1C ZINC000056525085 398977845 /nfs/dbraw/zinc/97/78/45/398977845.db2.gz UXEQAVHGJHDMIN-NUJGCVRESA-N 2 0 323.525 2.591 20 0 DFADRP C[C@H](O)C[NH+]1CCC(C[N@H+](C)Cc2cc(Cl)cs2)CC1 ZINC000194385707 201216783 /nfs/dbraw/zinc/21/67/83/201216783.db2.gz CSJFLMPYQLKCJZ-LBPRGKRZSA-N 2 0 316.898 2.926 20 0 DFADRP CC[NH+]1CCN(C[C@H](C)C[NH2+]C[C@@H](C)c2ccccc2)CC1 ZINC000194415417 201222975 /nfs/dbraw/zinc/22/29/75/201222975.db2.gz GOCYYEJRRQMSAI-QZTJIDSGSA-N 2 0 303.494 2.653 20 0 DFADRP CC(C)c1ccc([C@H]([NH3+])CNC(=O)CC[C@H]2CCC[NH2+]C2)cc1 ZINC000621621882 398997974 /nfs/dbraw/zinc/99/79/74/398997974.db2.gz MZIQFPLCFRLJFD-CRAIPNDOSA-N 2 0 317.477 2.706 20 0 DFADRP CCCOc1cc(C[NH2+]CC2=CC[N@H+](C)CC2)ccc1OC ZINC000271844072 209261306 /nfs/dbraw/zinc/26/13/06/209261306.db2.gz RQMBRVYCKXBXRH-UHFFFAOYSA-N 2 0 304.434 2.836 20 0 DFADRP CC[NH2+]CC1CCN(C(=O)C(C)(C)[C@@H]([NH3+])c2ccccc2)CC1 ZINC000417818456 296054390 /nfs/dbraw/zinc/05/43/90/296054390.db2.gz SJFYXXWNVADGJG-KRWDZBQOSA-N 2 0 317.477 2.561 20 0 DFADRP C[C@@H]([NH2+]CC1=CC[N@H+](C)CC1)c1ccc2c(c1)OCCCO2 ZINC000271842371 209259347 /nfs/dbraw/zinc/25/93/47/209259347.db2.gz GYERYDGLSNFVGX-CQSZACIVSA-N 2 0 302.418 2.760 20 0 DFADRP CC[NH+](CC)[C@H](CNC(=O)CC[C@@H]1CCC[NH2+]C1)CC(C)C ZINC000621641866 399006168 /nfs/dbraw/zinc/00/61/68/399006168.db2.gz YXCBEVBJTIPHBE-IRXDYDNUSA-N 2 0 311.514 2.639 20 0 DFADRP [NH3+]CCC[C@@H](NC(=O)C[C@@H]([NH3+])c1ccccc1)c1ccccc1 ZINC000417844418 296057075 /nfs/dbraw/zinc/05/70/75/296057075.db2.gz WQAJECHTNLXCKS-QZTJIDSGSA-N 2 0 311.429 2.673 20 0 DFADRP CC(C)(C(=O)NC[C@H]1CC[C@H](C[NH3+])CC1)[C@H]([NH3+])c1ccccc1 ZINC000417849670 296057740 /nfs/dbraw/zinc/05/77/40/296057740.db2.gz LPONWWJZYXQXKV-BFYDXBDKSA-N 2 0 317.477 2.594 20 0 DFADRP CO[C@@H]1CC[C@H]([NH2+][C@H](C)c2ccc(OCC[NH+](C)C)cc2)C1 ZINC000249031304 283762200 /nfs/dbraw/zinc/76/22/00/283762200.db2.gz LPILFVKFZVGHBD-UWWQBHOKSA-N 2 0 306.450 2.845 20 0 DFADRP COCc1cc([C@H](C)[NH2+]CC2=CC[N@H+](C)CC2)ccc1OC ZINC000271813902 209238235 /nfs/dbraw/zinc/23/82/35/209238235.db2.gz BDBVCJZXPUAFFP-AWEZNQCLSA-N 2 0 304.434 2.754 20 0 DFADRP C[NH+](C)CCN(CC1CCCCC1)C(=O)CC[C@H]1CCC[NH2+]C1 ZINC000621659327 399012825 /nfs/dbraw/zinc/01/28/25/399012825.db2.gz GYXXRHDKHRFQRK-QGZVFWFLSA-N 2 0 323.525 2.737 20 0 DFADRP CN(C)C(=O)c1ccccc1C[NH2+]C1CCC(C[NH+](C)C)CC1 ZINC000417955768 296066428 /nfs/dbraw/zinc/06/64/28/296066428.db2.gz RZXLOGLOXACSEA-UHFFFAOYSA-N 2 0 317.477 2.598 20 0 DFADRP CCOc1cncc(C[N@@H+]2CC[C@@H](C)[C@@H](n3ccnc3)C2)c1 ZINC000621719470 399046044 /nfs/dbraw/zinc/04/60/44/399046044.db2.gz OFVSDCNLASUUIM-PBHICJAKSA-N 2 0 300.406 2.760 20 0 DFADRP c1ccc([C@H]2OCC[C@@H]2C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000477925144 299364462 /nfs/dbraw/zinc/36/44/62/299364462.db2.gz HWUKPECPGOSWPY-YDZRNGNQSA-N 2 0 300.446 2.981 20 0 DFADRP CC[N@H+](Cc1ccc(C[NH+](C)C)cc1)CC1(C(=O)OC)CC1 ZINC000599662031 399050634 /nfs/dbraw/zinc/05/06/34/399050634.db2.gz WNIWTNSDOKSCKU-UHFFFAOYSA-N 2 0 304.434 2.523 20 0 DFADRP CC[NH+](CC)[C@H](C)CNC(=O)[C@H](c1ccccc1)[N@@H+](C)CC ZINC000057911496 399070557 /nfs/dbraw/zinc/07/05/57/399070557.db2.gz QCYSZOXUMITPLW-WBVHZDCISA-N 2 0 305.466 2.526 20 0 DFADRP C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)c1ccc(C[NH+](C)C)cc1 ZINC000479471159 299378220 /nfs/dbraw/zinc/37/82/20/299378220.db2.gz CVMLMMXXGVWFBX-OAHLLOKOSA-N 2 0 317.477 2.551 20 0 DFADRP C[C@H]([NH2+][C@H]1CC[C@@H](CO)C1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000295083763 284019276 /nfs/dbraw/zinc/01/92/76/284019276.db2.gz QRGHAAJNVVGIAL-NQYYFHDYSA-N 2 0 302.462 2.648 20 0 DFADRP C[C@@H]([NH2+][C@H]1CC[C@@H](CO)C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000295083765 284019421 /nfs/dbraw/zinc/01/94/21/284019421.db2.gz QRGHAAJNVVGIAL-OWYHZJEWSA-N 2 0 302.462 2.648 20 0 DFADRP C[NH+](C)CC1CC[NH+](CC(=O)NCCCC2CCCCC2)CC1 ZINC000480948482 299390677 /nfs/dbraw/zinc/39/06/77/299390677.db2.gz BCNQLVKYPQPPCX-UHFFFAOYSA-N 2 0 323.525 2.737 20 0 DFADRP CC[C@H](C[N@H+](C)[C@@H]1CCC[NH+](C[C@@H](CC)OC)CC1)OC ZINC000419247563 296129954 /nfs/dbraw/zinc/12/99/54/296129954.db2.gz XFZGZFCMKDCAEY-BRWVUGGUSA-N 2 0 300.487 2.623 20 0 DFADRP [NH3+]C[C@H]1CCC[C@H]1C(=O)Nc1ccc(CC[NH+]2CCCC2)cc1 ZINC000261615047 203080370 /nfs/dbraw/zinc/08/03/70/203080370.db2.gz ADOAMZJNISAUQZ-SJLPKXTDSA-N 2 0 315.461 2.638 20 0 DFADRP CC[N@@H+]1CC[C@H](C[NH2+][C@H](C)Cc2ccc(OC)c(OC)c2)C1 ZINC000261778962 203114940 /nfs/dbraw/zinc/11/49/40/203114940.db2.gz WRLHUUGZARMRAK-GDBMZVCRSA-N 2 0 306.450 2.566 20 0 DFADRP CC[NH+](CC)[C@@H](CNC(=O)[C@@H]1CCC[C@@H]1C[NH3+])c1ccsc1 ZINC000261874541 203141131 /nfs/dbraw/zinc/14/11/31/203141131.db2.gz YHZLOAORWGFAJJ-BMFZPTHFSA-N 2 0 323.506 2.622 20 0 DFADRP CC[C@H](C)C[NH2+]Cc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000093074744 193200977 /nfs/dbraw/zinc/20/09/77/193200977.db2.gz OFVNVQRBECNRAG-YJBOKZPZSA-N 2 0 317.477 2.520 20 0 DFADRP C[N@@H+](Cc1c[nH]nc1-c1cccs1)CC1CC[NH+](C)CC1 ZINC000093088841 193201922 /nfs/dbraw/zinc/20/19/22/193201922.db2.gz DNBALBITKQLMPV-UHFFFAOYSA-N 2 0 304.463 2.912 20 0 DFADRP CCC[C@](C)([NH3+])C(=O)NCc1ccc(C[NH+](CC)CC)cc1 ZINC000261977333 203164883 /nfs/dbraw/zinc/16/48/83/203164883.db2.gz QXUUAKQGTUXTIL-SFHVURJKSA-N 2 0 305.466 2.662 20 0 DFADRP CCC[C@](C)([NH3+])C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000262148097 203211313 /nfs/dbraw/zinc/21/13/13/203211313.db2.gz QWSOIQZILSITMM-AYBZRNKSSA-N 2 0 317.477 2.673 20 0 DFADRP CCC[C@H]([NH3+])C(=O)NCc1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000262111959 203202107 /nfs/dbraw/zinc/20/21/07/203202107.db2.gz HCHWIHGEGBTCSE-YJBOKZPZSA-N 2 0 317.477 2.662 20 0 DFADRP Fc1ccc(OC2CC[NH+](CC3CC[NH2+]CC3)CC2)c(F)c1 ZINC000262261109 203244258 /nfs/dbraw/zinc/24/42/58/203244258.db2.gz RCTLNDQVKZWDAO-UHFFFAOYSA-N 2 0 310.388 2.808 20 0 DFADRP CC(C)c1ccc([C@H]([NH3+])CNC(=O)c2ccc(C[NH3+])cc2)cc1 ZINC000262447200 203297005 /nfs/dbraw/zinc/29/70/05/203297005.db2.gz PMSCOIHWBCRWCM-GOSISDBHSA-N 2 0 311.429 2.699 20 0 DFADRP C[C@@H](CCN1CC[NH+](C)CC1)[NH2+]Cc1cc(F)cc(Cl)c1 ZINC000275042584 212090400 /nfs/dbraw/zinc/09/04/00/212090400.db2.gz YSSNGBHTYXVECK-ZDUSSCGKSA-N 2 0 313.848 2.595 20 0 DFADRP Cc1cnc(CC[NH2+][C@H]2CCN([C@@H](C)c3ccccc3)C2)nc1 ZINC000340108628 284152114 /nfs/dbraw/zinc/15/21/14/284152114.db2.gz JMUGXOAYLFOQFL-WMZOPIPTSA-N 2 0 310.445 2.753 20 0 DFADRP CC[NH+](CC)CCO[C@@H]1CC[N@H+](Cc2cccc(OC)c2)C1 ZINC000340194241 284157763 /nfs/dbraw/zinc/15/77/63/284157763.db2.gz HPODPHLBURSQNY-GOSISDBHSA-N 2 0 306.450 2.628 20 0 DFADRP C[N@@H+]1CC[C@@H](NCC[NH+]2CCCCC2)C[C@H]1c1ccccc1 ZINC000340174234 284155199 /nfs/dbraw/zinc/15/51/99/284155199.db2.gz NNKZLGCYNPMEAA-MOPGFXCFSA-N 2 0 301.478 2.897 20 0 DFADRP CCOC(=O)C1([C@H](C)[NH2+]CC[C@@H]2CC=CCC2)CC[NH2+]CC1 ZINC000600711913 399120222 /nfs/dbraw/zinc/12/02/22/399120222.db2.gz UGGICEDEQAHJAO-JKSUJKDBSA-N 2 0 308.466 2.644 20 0 DFADRP CC[N@@H+]1CCC[C@H](N[C@@H]2CC[NH+](C)[C@@H](c3ccccc3)C2)C1 ZINC000340193107 284157189 /nfs/dbraw/zinc/15/71/89/284157189.db2.gz SLWCHIPIKPJVBS-CEXWTWQISA-N 2 0 301.478 2.896 20 0 DFADRP CCC[C@](C)([NH3+])C(=O)NCC(C)(C)[NH2+][C@@H](C)c1ccccc1 ZINC000262690866 203382543 /nfs/dbraw/zinc/38/25/43/203382543.db2.gz AJWCGUWPJVKVPZ-KSSFIOAISA-N 2 0 305.466 2.750 20 0 DFADRP CC[NH+](CC)CCN(Cc1cccs1)C(=O)CC[C@@H](C)[NH3+] ZINC000262761258 203399437 /nfs/dbraw/zinc/39/94/37/203399437.db2.gz IMLALGZCRGQNSV-CQSZACIVSA-N 2 0 311.495 2.546 20 0 DFADRP C[C@@H]1C[N@@H+](CCC2CC[NH+](Cc3cc[nH]c3)CC2)C[C@H](C)O1 ZINC000093844352 193317612 /nfs/dbraw/zinc/31/76/12/193317612.db2.gz GIBXYZQRPMCOEM-IYBDPMFKSA-N 2 0 305.466 2.726 20 0 DFADRP CCOC(=O)CCCCC[NH+]1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000595901492 399129279 /nfs/dbraw/zinc/12/92/79/399129279.db2.gz XEUIQOKPPVMROG-KRWDZBQOSA-N 2 0 310.482 2.822 20 0 DFADRP Cc1cc(NC[C@H]2CCC[NH2+]C2)c2cc(OC(F)F)ccc2[nH+]1 ZINC000420170352 296160369 /nfs/dbraw/zinc/16/03/69/296160369.db2.gz MYKODSGVKOBHIN-LBPRGKRZSA-N 2 0 321.371 2.978 20 0 DFADRP CCOc1cc2[nH+]ccc(NCCCC[NH3+])c2cc1OCC ZINC000420230986 296164126 /nfs/dbraw/zinc/16/41/26/296164126.db2.gz JHZDYPNOAPPEKF-UHFFFAOYSA-N 2 0 303.406 2.605 20 0 DFADRP C[NH+](C)C/C=C/C(=O)Nc1cccc(C[NH+]2CCCCC2)c1 ZINC000264625362 204037784 /nfs/dbraw/zinc/03/77/84/204037784.db2.gz MLQYDTPSSYRIJL-JXMROGBWSA-N 2 0 301.434 2.729 20 0 DFADRP COc1cc2c(cc1F)[nH+]ccc2N1CC[C@H](C)C[C@H]1C[NH3+] ZINC000420260615 296166720 /nfs/dbraw/zinc/16/67/20/296166720.db2.gz NVAXQDMGKIAJHP-RYUDHWBXSA-N 2 0 303.381 2.946 20 0 DFADRP CCOc1cc2[nH+]ccc(N[C@@H](C)CCC[NH3+])c2cc1OCC ZINC000420272488 296167845 /nfs/dbraw/zinc/16/78/45/296167845.db2.gz WQRAEMWLBPIJRF-ZDUSSCGKSA-N 2 0 317.433 2.993 20 0 DFADRP CCOC(=O)c1cnc2ccc(C)cc2c1N1C[C@H]([NH3+])[C@@H](C)C1 ZINC000420278772 296168607 /nfs/dbraw/zinc/16/86/07/296168607.db2.gz OJMVDQPQEGTTQK-WFASDCNBSA-N 2 0 313.401 2.503 20 0 DFADRP C[C@H]([NH3+])[C@@H]1CCCCN1CCC(=O)Nc1ccc(Cl)cc1 ZINC000420279928 296168640 /nfs/dbraw/zinc/16/86/40/296168640.db2.gz XTXASAQXVIHMTO-WFASDCNBSA-N 2 0 309.841 2.870 20 0 DFADRP OC[C@@H]1C=C[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC000341247243 284259323 /nfs/dbraw/zinc/25/93/23/284259323.db2.gz OXLFWRLEGYHBGL-KGEPEWOVSA-N 2 0 312.457 2.709 20 0 DFADRP COCc1cc(NC[C@H]2CCC[C@@H]([NH3+])C2)c2cc(F)ccc2n1 ZINC000420290638 296169969 /nfs/dbraw/zinc/16/99/69/296169969.db2.gz USDSFPYWQOFABA-GXTWGEPZSA-N 2 0 317.408 2.872 20 0 DFADRP CCc1ccccc1NC(=O)[C@H](C)N1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000420291922 296170160 /nfs/dbraw/zinc/17/01/60/296170160.db2.gz ONJBSNYDLWFYBT-OFQRWUPVSA-N 2 0 303.450 2.635 20 0 DFADRP COc1ccccc1CC1CC[NH+](CC[C@H]2CC[NH2+]C2)CC1 ZINC000420294118 296170474 /nfs/dbraw/zinc/17/04/74/296170474.db2.gz APEXSIRZVLQMLO-QGZVFWFLSA-N 2 0 302.462 2.949 20 0 DFADRP CCC[N@H+](CC[C@@H]1CC[NH2+]C1)[C@@H](C)C(=O)Nc1ccccc1 ZINC000420293836 296170533 /nfs/dbraw/zinc/17/05/33/296170533.db2.gz ANYBLMDCZVIABX-HOTGVXAUSA-N 2 0 303.450 2.725 20 0 DFADRP Cc1ccc([C@H](C)[N@H+](C)C[C@H](O)[C@@H]([NH3+])Cc2ccccc2)cc1 ZINC000420295815 296170620 /nfs/dbraw/zinc/17/06/20/296170620.db2.gz AXCSVPKDMXPXEN-VDGAXYAQSA-N 2 0 312.457 2.919 20 0 DFADRP C[C@H]([NH3+])[C@@H]1CCC[N@H+](CCOc2ccc(Cl)c(F)c2)C1 ZINC000420295691 296170650 /nfs/dbraw/zinc/17/06/50/296170650.db2.gz VYPUHQJVYIMODJ-NWDGAFQWSA-N 2 0 300.805 2.917 20 0 DFADRP COCC[N@H+](CC[C@H]1CC[NH2+]C1)Cc1ccc(F)cc1Cl ZINC000420297507 296171061 /nfs/dbraw/zinc/17/10/61/296171061.db2.gz GAMVRLXODIEWSF-CYBMUJFWSA-N 2 0 314.832 2.927 20 0 DFADRP FC(F)(F)c1cc([C@@H]2CCC[N@H+](CC[C@H]3CC[NH2+]C3)C2)[nH]n1 ZINC000420302112 296171628 /nfs/dbraw/zinc/17/16/28/296171628.db2.gz MDDHSAQJNYOOKK-VXGBXAGGSA-N 2 0 316.371 2.608 20 0 DFADRP C[N@H+](CC[C@@H]1CCC[NH2+]C1)CC(=O)Nc1cccc(Cl)c1 ZINC000420304097 296172090 /nfs/dbraw/zinc/17/20/90/296172090.db2.gz KUXCEYFKQBBLPL-ZDUSSCGKSA-N 2 0 309.841 2.600 20 0 DFADRP c1nn(-c2ccccc2)c2c1C[N@H+](CC[C@H]1CCC[NH2+]C1)CC2 ZINC000420303894 296172248 /nfs/dbraw/zinc/17/22/48/296172248.db2.gz NWAVJGNBVFBDAL-MRXNPFEDSA-N 2 0 310.445 2.620 20 0 DFADRP [NH3+]CCCN(Cc1nnc(C2CC2)n1C1CC1)CC1CCCC1 ZINC000420310284 296172917 /nfs/dbraw/zinc/17/29/17/296172917.db2.gz GFPQHWACNDZITL-UHFFFAOYSA-N 2 0 317.481 2.831 20 0 DFADRP CC[N@H+](CC[C@@H]1CCC[NH2+]C1)Cc1ccc(C(=O)N(C)C)cc1 ZINC000420308436 296172952 /nfs/dbraw/zinc/17/29/52/296172952.db2.gz SFWVWPKPCDKZQS-INIZCTEOSA-N 2 0 317.477 2.600 20 0 DFADRP COc1ccc([C@H](C[NH3+])CN(C)CC[C@H]2CCCC[N@@H+]2C)cc1 ZINC000420307221 296172498 /nfs/dbraw/zinc/17/24/98/296172498.db2.gz BHHCDVFYJSABIR-QZTJIDSGSA-N 2 0 319.493 2.544 20 0 DFADRP [NH3+]CC[C@@H]1CCC[N@H+](CCOc2ccc(Cl)c(F)c2)C1 ZINC000420314257 296173778 /nfs/dbraw/zinc/17/37/78/296173778.db2.gz QKZXMENTKYUBOK-LBPRGKRZSA-N 2 0 300.805 2.919 20 0 DFADRP COc1ccc([C@H](C[NH3+])C[N@H+](C)C2Cc3ccccc3C2)cc1 ZINC000420317782 296173981 /nfs/dbraw/zinc/17/39/81/296173981.db2.gz NYOZERUZSJLECY-GOSISDBHSA-N 2 0 310.441 2.837 20 0 DFADRP COc1c(C)cnc(C[N@@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)c1C ZINC000420319392 296174379 /nfs/dbraw/zinc/17/43/79/296174379.db2.gz ABFNLFOBIQVIBZ-JKSUJKDBSA-N 2 0 303.450 2.529 20 0 DFADRP C[NH+](C)Cc1cccc(C(=O)Nc2cnn(-c3cc[nH+]cc3)c2)c1 ZINC000607385374 399164151 /nfs/dbraw/zinc/16/41/51/399164151.db2.gz MTOYQOPFHWTROR-UHFFFAOYSA-N 2 0 321.384 2.581 20 0 DFADRP Cc1ccc(NC(=O)[C@H](C)[N@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)cc1C ZINC000420323989 296175222 /nfs/dbraw/zinc/17/52/22/296175222.db2.gz AJMGHNLRIVZCCR-YESZJQIVSA-N 2 0 315.461 2.562 20 0 DFADRP FC(F)(F)c1ccc(C[N@@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)nc1 ZINC000420331617 296176398 /nfs/dbraw/zinc/17/63/98/296176398.db2.gz RAZYCSCLZNZZFB-CHWSQXEVSA-N 2 0 313.367 2.922 20 0 DFADRP FC(F)(F)c1ccc(C[N@@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)nc1 ZINC000420331619 296176408 /nfs/dbraw/zinc/17/64/08/296176408.db2.gz RAZYCSCLZNZZFB-OLZOCXBDSA-N 2 0 313.367 2.922 20 0 DFADRP CCC[NH+]1CCC(N(C)C[C@@H](C[NH3+])c2ccc(OC)cc2)CC1 ZINC000420325433 296175787 /nfs/dbraw/zinc/17/57/87/296175787.db2.gz WKRRMQSRLJPPJR-QGZVFWFLSA-N 2 0 319.493 2.544 20 0 DFADRP CCn1c2ccc(F)cc2nc1C[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000420328683 296175940 /nfs/dbraw/zinc/17/59/40/296175940.db2.gz FIWHZTRLZWEKDD-OKILXGFUSA-N 2 0 316.424 2.627 20 0 DFADRP c1cc2c(cc1[C@@H]1CCC[N@H+]1CC[C@H]1CC[NH2+]C1)OCCO2 ZINC000420327856 296176089 /nfs/dbraw/zinc/17/60/89/296176089.db2.gz YZNAZGGOILXWTI-ZBFHGGJFSA-N 2 0 302.418 2.594 20 0 DFADRP [NH3+]C[C@H]1C[N@@H+]([C@@H]2CCCc3ccccc32)CC12CCOCC2 ZINC000420336660 296177267 /nfs/dbraw/zinc/17/72/67/296177267.db2.gz WCCLJPQBJKGJPK-FUHWJXTLSA-N 2 0 300.446 2.751 20 0 DFADRP CCO[C@@H](C)c1nc(C[N@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)cs1 ZINC000420338752 296177453 /nfs/dbraw/zinc/17/74/53/296177453.db2.gz NXBAQQZNQFEZPI-MELADBBJSA-N 2 0 309.479 2.672 20 0 DFADRP C[C@H](C(=O)Nc1cccc(F)c1)[NH+]1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000420339628 296177482 /nfs/dbraw/zinc/17/74/82/296177482.db2.gz MDLHARCIFYUCLI-DYVFJYSZSA-N 2 0 319.424 2.617 20 0 DFADRP Fc1cc(OCC[NH+]2CCC3(CC[NH2+]C3)CC2)ccc1Cl ZINC000420334005 296176827 /nfs/dbraw/zinc/17/68/27/296176827.db2.gz KSDPKHDZHNQZPY-UHFFFAOYSA-N 2 0 312.816 2.933 20 0 DFADRP CCc1ccc(CC[NH+]2CCC([C@@H]3OCC[C@H]3[NH3+])CC2)cc1 ZINC000420335102 296176843 /nfs/dbraw/zinc/17/68/43/296176843.db2.gz PBAIPJCTCUCAIP-MOPGFXCFSA-N 2 0 302.462 2.620 20 0 DFADRP C[C@H](C(=O)N[C@H]1CCCC[C@H]1C)[NH+]1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000420336668 296177092 /nfs/dbraw/zinc/17/70/92/296177092.db2.gz IZFGDNHPQHPLSB-LMSBXDPUSA-N 2 0 321.509 2.534 20 0 DFADRP Cc1cccc(NC(=O)C[N@@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)c1C ZINC000420346945 296178276 /nfs/dbraw/zinc/17/82/76/296178276.db2.gz ZMVASFRSLAUKMK-IAGOWNOFSA-N 2 0 315.461 2.563 20 0 DFADRP COCCOCCC[NH2+][C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000274878154 212003259 /nfs/dbraw/zinc/00/32/59/212003259.db2.gz HACBGEBBYPNHDE-HKUYNNGSSA-N 2 0 320.477 2.540 20 0 DFADRP O=C(CC[N@@H+]1CCC[C@@]2(CC[NH2+]C2)C1)Nc1ccccc1Cl ZINC000420353491 296178715 /nfs/dbraw/zinc/17/87/15/296178715.db2.gz BBBHDOMPLZQITD-KRWDZBQOSA-N 2 0 321.852 2.744 20 0 DFADRP Clc1ccccc1CN1CC[NH+](CC[C@@H]2CCC[NH2+]C2)CC1 ZINC000420354212 296178771 /nfs/dbraw/zinc/17/87/71/296178771.db2.gz CMWPJGRHTPENNC-INIZCTEOSA-N 2 0 321.896 2.847 20 0 DFADRP CCCOc1ccc(OCC[NH2+][C@H]2CC[NH2+]CC2(C)C)cc1 ZINC000420361641 296179850 /nfs/dbraw/zinc/17/98/50/296179850.db2.gz MHEHRHFPAIAGFF-KRWDZBQOSA-N 2 0 306.450 2.832 20 0 DFADRP COC(=O)c1cc2cc(C[NH2+][C@@H]3CC[NH2+]CC3(C)C)ccc2o1 ZINC000420361666 296179959 /nfs/dbraw/zinc/17/99/59/296179959.db2.gz MKVFNOIPTGUHRV-MRXNPFEDSA-N 2 0 316.401 2.697 20 0 DFADRP CC1(C)C[NH2+]CC[C@H]1[NH2+]CCC(=O)Nc1cccc(Cl)c1 ZINC000420369946 296181650 /nfs/dbraw/zinc/18/16/50/296181650.db2.gz VJRQHKNKLNYTPQ-CQSZACIVSA-N 2 0 309.841 2.646 20 0 DFADRP CC[C@H](C)[C@H]1C[N@H+](Cc2ccc(C)nc2)CCN1CCC[NH2+]C ZINC000420377212 296182700 /nfs/dbraw/zinc/18/27/00/296182700.db2.gz RYTCHODLCFFOFW-QFBILLFUSA-N 2 0 318.509 2.532 20 0 DFADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+][C@@H]2CCCc3occc32)CC1 ZINC000192823791 399175331 /nfs/dbraw/zinc/17/53/31/399175331.db2.gz MFQQAHJCXPDEON-DOTOQJQBSA-N 2 0 305.466 2.520 20 0 DFADRP Cn1c2ccccc2nc1CC[N@@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000420378067 296183063 /nfs/dbraw/zinc/18/30/63/296183063.db2.gz BBWLAKZYJNYAMB-DOTOQJQBSA-N 2 0 312.461 2.580 20 0 DFADRP c1ccc2c(c1)CCN2C1CC[NH+](CC[C@H]2CCC[NH2+]C2)CC1 ZINC000420377526 296183090 /nfs/dbraw/zinc/18/30/90/296183090.db2.gz SFFYOVSUHQTYMF-QGZVFWFLSA-N 2 0 313.489 2.903 20 0 DFADRP C[NH2+]CCCN1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000420382800 296184136 /nfs/dbraw/zinc/18/41/36/296184136.db2.gz YRHMGLPEKDQJKR-RBUKOAKNSA-N 2 0 301.478 2.582 20 0 DFADRP C[NH2+]CCCN1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000420382802 296184157 /nfs/dbraw/zinc/18/41/57/296184157.db2.gz YRHMGLPEKDQJKR-RTBURBONSA-N 2 0 301.478 2.582 20 0 DFADRP COc1cccc(C[N@H+](C)CCCN2CC[NH+](C(C)C)CC2)c1 ZINC000282660294 217160357 /nfs/dbraw/zinc/16/03/57/217160357.db2.gz LUZJOFGCHMEIHY-UHFFFAOYSA-N 2 0 319.493 2.543 20 0 DFADRP O=C(CC[N@@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1)Nc1cccc(F)c1 ZINC000420390942 296184759 /nfs/dbraw/zinc/18/47/59/296184759.db2.gz IBDNHWMSNBMRPP-PBHICJAKSA-N 2 0 319.424 2.618 20 0 DFADRP O=C(CC[N@@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1)Nc1ccccc1F ZINC000420387756 296184368 /nfs/dbraw/zinc/18/43/68/296184368.db2.gz GNMYUXHSWXWYEV-PBHICJAKSA-N 2 0 319.424 2.618 20 0 DFADRP COc1ccccc1OCC[N@@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000420387784 296184545 /nfs/dbraw/zinc/18/45/45/296184545.db2.gz GOBPZPHVHVQECI-HZPDHXFCSA-N 2 0 304.434 2.538 20 0 DFADRP COc1ccccc1OCC[N@@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000420387786 296185056 /nfs/dbraw/zinc/18/50/56/296185056.db2.gz GOBPZPHVHVQECI-JKSUJKDBSA-N 2 0 304.434 2.538 20 0 DFADRP C[C@@H](Cc1cccc(Cl)c1)[NH2+]CCCN1CCC[N@H+](C)CC1 ZINC000282700036 217186339 /nfs/dbraw/zinc/18/63/39/217186339.db2.gz QBEICSLCTFFMSQ-INIZCTEOSA-N 2 0 323.912 2.888 20 0 DFADRP O=C(CC[N@@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1)Nc1cccc(F)c1 ZINC000420390945 296185466 /nfs/dbraw/zinc/18/54/66/296185466.db2.gz IBDNHWMSNBMRPP-YOEHRIQHSA-N 2 0 319.424 2.618 20 0 DFADRP CCc1cccc(C[NH+]2CCC([C@H]3C[C@@H]([NH3+])CCO3)CC2)c1 ZINC000420391613 296185470 /nfs/dbraw/zinc/18/54/70/296185470.db2.gz OPDQFJZYIAHSCM-RBUKOAKNSA-N 2 0 302.462 2.967 20 0 DFADRP [NH3+][C@H]1CCO[C@H](C2CC[NH+](CCCc3ccsc3)CC2)C1 ZINC000420394969 296185663 /nfs/dbraw/zinc/18/56/63/296185663.db2.gz SNBSOBRJALCFFG-IRXDYDNUSA-N 2 0 308.491 2.899 20 0 DFADRP Cc1c2ccccc2oc1[C@@H]([NH2+]CCN1CC[NH2+]CC1)C(C)C ZINC000420395556 296185822 /nfs/dbraw/zinc/18/58/22/296185822.db2.gz DNEJMCMBDGGUJV-SFHVURJKSA-N 2 0 315.461 2.933 20 0 DFADRP C[C@H]1CC[N@H+](CCC(=O)Nc2ccc(Cl)cc2)C[C@H]1C[NH3+] ZINC000420395233 296185833 /nfs/dbraw/zinc/18/58/33/296185833.db2.gz DEUWYVKTZMLAOZ-QWHCGFSZSA-N 2 0 309.841 2.585 20 0 DFADRP CCC[NH+](CCC)CCCC(=O)NCC12CCC[NH+]1CCC2 ZINC000614228305 399181811 /nfs/dbraw/zinc/18/18/11/399181811.db2.gz NPBUKKZCMXEXEH-UHFFFAOYSA-N 2 0 309.498 2.633 20 0 DFADRP C[C@H](C[NH2+][C@@H](C)Cc1cccc(Cl)c1)CN1CC[NH+](C)CC1 ZINC000282762530 217233828 /nfs/dbraw/zinc/23/38/28/217233828.db2.gz WBQMVLZGWDNCQC-CVEARBPZSA-N 2 0 323.912 2.744 20 0 DFADRP O[C@H](C[NH2+]CC(c1ccccc1)c1ccccc1)C[NH+]1CCCC1 ZINC000271694300 209130982 /nfs/dbraw/zinc/13/09/82/209130982.db2.gz OZSYNTACCGSHLM-HXUWFJFHSA-N 2 0 324.468 2.865 20 0 DFADRP CC(C)[C@@H](C(=O)N(C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C)[NH+]1CCCCC1 ZINC000342501612 284346137 /nfs/dbraw/zinc/34/61/37/284346137.db2.gz WFUPPGZIBYAXPF-WFFDWFOESA-N 2 0 321.509 2.581 20 0 DFADRP CC[N@H+](C)C[C@H]1CCN(C(=O)[C@@H]2CCCC[NH+]2C2CCCC2)C1 ZINC000373013123 284352129 /nfs/dbraw/zinc/35/21/29/284352129.db2.gz HQSVBMCDQKYUMT-AEFFLSMTSA-N 2 0 321.509 2.584 20 0 DFADRP COc1cc2c(cc1F)[nH+]ccc2N(C)C[C@H]1CCC[N@@H+]1C ZINC000420631235 296194352 /nfs/dbraw/zinc/19/43/52/296194352.db2.gz GLJLFTGWBYHUNA-GFCCVEGCSA-N 2 0 303.381 2.913 20 0 DFADRP CC[C@@H]1C[N@H+](C)CCCN1C(=O)CC[NH+](C)C1CCCCC1 ZINC000614329726 399208581 /nfs/dbraw/zinc/20/85/81/399208581.db2.gz GTXXPZNQTBZSLX-MRXNPFEDSA-N 2 0 309.498 2.584 20 0 DFADRP CC[C@H]1C[N@H+](C)CCCN1C(=O)c1ccc(C[NH+](CC)CC)o1 ZINC000614336611 399211998 /nfs/dbraw/zinc/21/19/98/399211998.db2.gz ZQHZCRDEMGWPCF-HNNXBMFYSA-N 2 0 321.465 2.678 20 0 DFADRP C[C@@H]([NH2+]CCN1CC[N@H+](C)C(C)(C)C1)[C@@H]1C[C@H]1c1ccccc1 ZINC000282985518 217371045 /nfs/dbraw/zinc/37/10/45/217371045.db2.gz FAYHNGQEHYJLQL-NEWSRXKRSA-N 2 0 315.505 2.794 20 0 DFADRP CCOC(=O)[C@@H]1CC[C@@H]([NH2+]CCC[NH+](C)C)c2ccccc21 ZINC000283004224 217381483 /nfs/dbraw/zinc/38/14/83/217381483.db2.gz GMKFWMFPJAVLRJ-IAGOWNOFSA-N 2 0 304.434 2.710 20 0 DFADRP COc1ccc([C@H](C)C[NH+]2CCC(OCC[NH+](C)C)CC2)cc1 ZINC000342950769 284447209 /nfs/dbraw/zinc/44/72/09/284447209.db2.gz JECMZGLGEQGLSL-MRXNPFEDSA-N 2 0 320.477 2.841 20 0 DFADRP C[NH+](C)CCCC1CC[NH+](C[C@@H](O)Cc2ccc(F)cc2)CC1 ZINC000293920693 223768483 /nfs/dbraw/zinc/76/84/83/223768483.db2.gz XVRKCMJSOSZJCF-IBGZPJMESA-N 2 0 322.468 2.783 20 0 DFADRP CC(C)[NH+]1CCN(CCC[N@@H+]2CC[C@H](C3CCCC3)C2)CC1 ZINC000420960573 296218231 /nfs/dbraw/zinc/21/82/31/296218231.db2.gz GVBAMZMQVNHLNB-IBGZPJMESA-N 2 0 307.526 2.915 20 0 DFADRP CCCN(CC[NH+]1CCCCC1)C(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC000622596881 399261742 /nfs/dbraw/zinc/26/17/42/399261742.db2.gz MTVSMKZGOBDMJS-GOSISDBHSA-N 2 0 323.525 2.975 20 0 DFADRP C[N@H+](CCC1OCCCO1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000267920874 206338592 /nfs/dbraw/zinc/33/85/92/206338592.db2.gz IYOJCNMATAQNND-GOSISDBHSA-N 2 0 318.461 2.593 20 0 DFADRP CC[NH+]1CCN([C@@H](C)C[NH2+]Cc2cccc(C3CC3)c2)CC1 ZINC000421322062 296244537 /nfs/dbraw/zinc/24/45/37/296244537.db2.gz DDJXVJJXPMTFRZ-INIZCTEOSA-N 2 0 301.478 2.680 20 0 DFADRP CC[NH+](CC)CCC[C@H](C)[NH2+]Cc1nn(C)c(C)c1Cl ZINC000421342111 296245835 /nfs/dbraw/zinc/24/58/35/296245835.db2.gz MQJKEKBXGYXKGB-LBPRGKRZSA-N 2 0 300.878 2.982 20 0 DFADRP CO[C@@H]1[C@H](C)[C@H]([NH2+]C2CCN(c3cc[nH+]cc3)CC2)C1(C)C ZINC000421346485 296246245 /nfs/dbraw/zinc/24/62/45/296246245.db2.gz YXRFCNWNAMPKMC-XOKHGSTOSA-N 2 0 303.450 2.700 20 0 DFADRP C[NH+](C)C1CCC([NH2+]C2CCN(c3cc[nH+]cc3)CC2)CC1 ZINC000421364993 296248781 /nfs/dbraw/zinc/24/87/81/296248781.db2.gz ALWKBOILIWIZFA-UHFFFAOYSA-N 3 0 302.466 2.513 20 0 DFADRP CC(C)[NH+]1CCN([C@@H]2CC[N@@H+]([C@@H]3CCc4ccccc43)C2)CC1 ZINC000614962608 399285968 /nfs/dbraw/zinc/28/59/68/399285968.db2.gz LQOGOWROLSRVHM-UYAOXDASSA-N 2 0 313.489 2.774 20 0 DFADRP C[C@H]([NH2+]C1CCC([NH+](C)C)CC1)c1ccccc1-n1ccnn1 ZINC000421891268 296278644 /nfs/dbraw/zinc/27/86/44/296278644.db2.gz YQINILRDRPXTMV-FHERZECASA-N 2 0 313.449 2.791 20 0 DFADRP Cc1cc2ncc([C@@H](C)[NH2+]C3CCC([NH+](C)C)CC3)c(C)n2n1 ZINC000421893620 296279261 /nfs/dbraw/zinc/27/92/61/296279261.db2.gz ZRWOKHQDURDKRT-IUDNXUCKSA-N 2 0 315.465 2.870 20 0 DFADRP CC[NH+](CC)[C@H](C(=O)NC1CC[NH+](CC)CC1)c1ccccc1 ZINC000104834144 194045402 /nfs/dbraw/zinc/04/54/02/194045402.db2.gz RUFKIOVOXNKGME-SFHVURJKSA-N 2 0 317.477 2.670 20 0 DFADRP CC[NH+]1CCN(C[C@H](C)C[NH2+]C/C(C)=C/c2ccccc2)CC1 ZINC000105441319 194104994 /nfs/dbraw/zinc/10/49/94/194104994.db2.gz BPTPIFRRTNWHPB-YWXUCKCNSA-N 2 0 315.505 2.953 20 0 DFADRP CN(C)[C@H](C[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1)c1cccc(F)c1 ZINC000623336030 399365572 /nfs/dbraw/zinc/36/55/72/399365572.db2.gz RGROPLDXIMPBSH-IAGOWNOFSA-N 2 0 307.457 2.891 20 0 DFADRP C[N@@H+]1CC[C@@H](N[C@@H]2CC[NH+](Cc3ccccc3)C2)CC1(C)C ZINC000623338311 399365773 /nfs/dbraw/zinc/36/57/73/399365773.db2.gz UVTRMUKKKLVGQE-QZTJIDSGSA-N 2 0 301.478 2.723 20 0 DFADRP C[C@@H](C[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1)N1CCc2ccccc21 ZINC000623347514 399367694 /nfs/dbraw/zinc/36/76/94/399367694.db2.gz CMHIFSIACOYSMF-DOTOQJQBSA-N 2 0 301.478 2.900 20 0 DFADRP C[NH+](C)C1CCC(NC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)CC1 ZINC000422012225 296290668 /nfs/dbraw/zinc/29/06/68/296290668.db2.gz VRVZWHRQQOWRPO-HTWSVDAQSA-N 2 0 321.509 2.773 20 0 DFADRP C[N@@H+]1CC[C@H]([NH2+]Cc2ccccc2Cn2ccnc2)CC1(C)C ZINC000623351624 399369582 /nfs/dbraw/zinc/36/95/82/399369582.db2.gz YGCSGDGJWIVXIR-SFHVURJKSA-N 3 0 312.461 2.894 20 0 DFADRP C[N@@H+]1CC[C@H](NCc2ccc(N3CCCC3)nc2)CC1(C)C ZINC000623354963 399370094 /nfs/dbraw/zinc/37/00/94/399370094.db2.gz QPWGMROALOSMSD-INIZCTEOSA-N 2 0 302.466 2.644 20 0 DFADRP CC(C)n1ncc2cc(C[N@@H+]3C[C@@H](C[NH3+])[C@H](C)C[C@@H]3C)cnc21 ZINC000422559673 296312436 /nfs/dbraw/zinc/31/24/36/296312436.db2.gz DTBAFCKCCAQPMY-JKIFEVAISA-N 2 0 315.465 2.817 20 0 DFADRP C[C@@H]1C[C@@H](C)[N@H+](Cc2cccc3c2OCCCO3)C[C@H]1C[NH3+] ZINC000422561480 296312586 /nfs/dbraw/zinc/31/25/86/296312586.db2.gz LKCTUYKAZJUYGN-IIAWOOMASA-N 2 0 304.434 2.653 20 0 DFADRP CCOCCOCc1cccc(C[NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)c1 ZINC000268846061 207013838 /nfs/dbraw/zinc/01/38/38/207013838.db2.gz VMDNQFGAJQVEQA-QFBILLFUSA-N 2 0 320.477 2.812 20 0 DFADRP C[C@@H](CC[NH+](C)C)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000268862835 207031337 /nfs/dbraw/zinc/03/13/37/207031337.db2.gz CDAVGOYKEWHFMN-KRWDZBQOSA-N 2 0 303.494 2.623 20 0 DFADRP CCC[C@](C)(O)C[NH2+][C@@H](C)c1cccc(OCC[NH+](C)C)c1 ZINC000268860842 207029396 /nfs/dbraw/zinc/02/93/96/207029396.db2.gz GCAWFHNFLGOYGH-YJBOKZPZSA-N 2 0 308.466 2.829 20 0 DFADRP CC[C@@H](NC1CC[NH+](Cc2ccncc2)CC1)[C@H]1CCCC[NH2+]1 ZINC000422687313 296317926 /nfs/dbraw/zinc/31/79/26/296317926.db2.gz BLSUVIORONYOGH-RTBURBONSA-N 2 0 316.493 2.556 20 0 DFADRP C[C@H]([NH3+])[C@H]1COCC[C@@H]1[NH2+]Cc1ccccc1OC1CCCC1 ZINC000422697653 296318106 /nfs/dbraw/zinc/31/81/06/296318106.db2.gz VMKDETCGOPHJMH-QGTPRVQTSA-N 2 0 318.461 2.850 20 0 DFADRP C[C@H]([NH3+])C[C@H](C)[NH2+]Cc1cccc(NC(=O)c2ccccn2)c1 ZINC000422704659 296319023 /nfs/dbraw/zinc/31/90/23/296319023.db2.gz AKSVBSPQOAOYRY-KBPBESRZSA-N 2 0 312.417 2.549 20 0 DFADRP CC(C)(C[NH2+][C@@H]1CCC[NH2+]CC1)N1CCc2ccccc2C1 ZINC000422705520 296318883 /nfs/dbraw/zinc/31/88/83/296318883.db2.gz RTZIQLXVFQURII-GOSISDBHSA-N 2 0 301.478 2.555 20 0 DFADRP C[C@H]([NH3+])[C@@H]1COCC[C@H]1[NH2+]CCc1cc(Cl)cc(Cl)c1 ZINC000422707743 296319197 /nfs/dbraw/zinc/31/91/97/296319197.db2.gz AQLZXYOJRUZQKC-NZVBXONLSA-N 2 0 317.260 2.878 20 0 DFADRP C[C@@H](CCC[NH3+])[NH2+]Cc1cccc(NC(=O)c2ccccn2)c1 ZINC000422716268 296320513 /nfs/dbraw/zinc/32/05/13/296320513.db2.gz UCQONFHMSKJLAQ-AWEZNQCLSA-N 2 0 312.417 2.551 20 0 DFADRP [NH3+]C[C@H]1CCC[C@H]1[NH2+]Cc1cccc(COC2CCOCC2)c1 ZINC000422713430 296320248 /nfs/dbraw/zinc/32/02/48/296320248.db2.gz PRCZYXUZNLTZDV-IEBWSBKVSA-N 2 0 318.461 2.599 20 0 DFADRP C[C@@H]([NH2+]Cc1ccccc1C[NH+]1CCCCCC1)C1C[NH2+]C1 ZINC000422711596 296320336 /nfs/dbraw/zinc/32/03/36/296320336.db2.gz NJSFGRZGTMENSN-MRXNPFEDSA-N 3 0 301.478 2.760 20 0 DFADRP C[C@H]([NH2+]Cc1cccc(NC(=O)C2CCCC2)c1)[C@@H]1CC[NH2+]C1 ZINC000422714518 296320425 /nfs/dbraw/zinc/32/04/25/296320425.db2.gz RDRKMHOMLVCOIQ-WMLDXEAASA-N 2 0 315.461 2.903 20 0 DFADRP c1ccc([C@@H]2C[C@H](NC3CC[NH+](CC4CC4)CC3)CC[NH2+]2)cc1 ZINC000422710606 296319839 /nfs/dbraw/zinc/31/98/39/296319839.db2.gz FDHBNONWWAPFOQ-UXHICEINSA-N 2 0 313.489 2.944 20 0 DFADRP C[NH+](C)CCCOc1ccc(CN[C@H]2CCCCC[C@@H]2[NH3+])cc1 ZINC000422718525 296321014 /nfs/dbraw/zinc/32/10/14/296321014.db2.gz PVYBKZBSOJFJDD-OALUTQOASA-N 2 0 319.493 2.767 20 0 DFADRP CN(C)[C@H](C[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1)c1ccc(F)cc1 ZINC000422714454 296320686 /nfs/dbraw/zinc/32/06/86/296320686.db2.gz RARAVYOFGVOOBV-INDMIFKZSA-N 2 0 319.468 2.939 20 0 DFADRP COc1ccc(CCC[NH2+][C@@H]2CC[NH2+]CC[C@H]2C)cc1OC ZINC000422717864 296320870 /nfs/dbraw/zinc/32/08/70/296320870.db2.gz KSVXMNHYQDGOEZ-GDBMZVCRSA-N 2 0 306.450 2.614 20 0 DFADRP C[C@H](NC1CC[NH+](Cc2ccc(F)cc2)CC1)[C@@H]1CCC[NH2+]1 ZINC000422724108 296321715 /nfs/dbraw/zinc/32/17/15/296321715.db2.gz ULLVTVUZDQNKPM-KSSFIOAISA-N 2 0 305.441 2.520 20 0 DFADRP CC[C@@H]([NH2+]CCc1ccc(NC(C)=O)cc1)[C@H]1CCCC[NH2+]1 ZINC000422722452 296321733 /nfs/dbraw/zinc/32/17/33/296321733.db2.gz XWYFODMRJDKNSC-QZTJIDSGSA-N 2 0 303.450 2.698 20 0 DFADRP CC[C@@H](NCc1ccc(OCCC[NH+](C)C)cc1)[C@@H]1CCC[NH2+]1 ZINC000422720614 296321407 /nfs/dbraw/zinc/32/14/07/296321407.db2.gz SWLNJNPXGXCTJC-MOPGFXCFSA-N 2 0 319.493 2.637 20 0 DFADRP C/C(=C/c1ccccc1)C[NH2+][C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000602277248 399417894 /nfs/dbraw/zinc/41/78/94/399417894.db2.gz GZYCRFJZRMVDEL-RBAUTDOXSA-N 2 0 313.489 2.848 20 0 DFADRP CCC(CC)C(=O)N1CCC([NH2+][C@H](C)[C@@H]2CCCC[NH2+]2)CC1 ZINC000422724859 296322050 /nfs/dbraw/zinc/32/20/50/296322050.db2.gz WVKHVINJCXJFID-PBHICJAKSA-N 2 0 309.498 2.534 20 0 DFADRP C[C@H]([NH3+])C[C@H](C)[NH2+]C1CCN(Cc2ccc(F)c(F)c2)CC1 ZINC000422725316 296322232 /nfs/dbraw/zinc/32/22/32/296322232.db2.gz XWWYRGQZPGCXKS-STQMWFEESA-N 2 0 311.420 2.645 20 0 DFADRP C[N@@H+]1CC[C@@H]([NH2+][C@@H]2CCO[C@H](c3ccncc3)C2)CC1(C)C ZINC000623559581 399415659 /nfs/dbraw/zinc/41/56/59/399415659.db2.gz GWLCTPMFIWXKEG-ZACQAIPSSA-N 2 0 303.450 2.764 20 0 DFADRP C[C@@H]([NH2+]CCc1ccncc1)c1cccc(OCC[NH+](C)C)c1 ZINC000268990271 207147574 /nfs/dbraw/zinc/14/75/74/207147574.db2.gz GANROHINZBUCRJ-MRXNPFEDSA-N 2 0 313.445 2.915 20 0 DFADRP O[C@@H]1CCC[C@@H]1[NH+]1CCC([NH2+]Cc2cccc3[nH]ccc32)CC1 ZINC000268988913 207147769 /nfs/dbraw/zinc/14/77/69/207147769.db2.gz UWJVNLSEZFMZTH-RBUKOAKNSA-N 2 0 313.445 2.635 20 0 DFADRP COc1cc([C@H](C)[NH2+]CC2(O)CC[NH+](C)CC2)ccc1SC ZINC000268999126 207154985 /nfs/dbraw/zinc/15/49/85/207154985.db2.gz OSDRKFWRHASBGD-ZDUSSCGKSA-N 2 0 324.490 2.524 20 0 DFADRP CCOC(=O)CC[C@@H]1CCC[N@H+](CC[C@@H]2CCCC[NH+]2C)C1 ZINC000611036223 399430171 /nfs/dbraw/zinc/43/01/71/399430171.db2.gz FIFILSUULAGNGS-IRXDYDNUSA-N 2 0 310.482 2.916 20 0 DFADRP C[N@H+](Cc1ccccc1)CC(C)(C)CNC[C@H]1CCC[NH+]1C ZINC000623634525 399432668 /nfs/dbraw/zinc/43/26/68/399432668.db2.gz IRLNIVXSXYIVLD-GOSISDBHSA-N 2 0 303.494 2.828 20 0 DFADRP COCCOCc1ccc(C[NH2+]C[C@@H]2CCCC[N@H+](C)C2)cc1 ZINC000623657041 399436628 /nfs/dbraw/zinc/43/66/28/399436628.db2.gz IPAOXGGDWNGPRL-IBGZPJMESA-N 2 0 320.477 2.671 20 0 DFADRP C[N@@H+]1CCCC[C@@H](C[NH2+]C2CCN(CCC(F)(F)F)CC2)C1 ZINC000623657004 399436909 /nfs/dbraw/zinc/43/69/09/399436909.db2.gz HPDLHYBJGGKQIA-AWEZNQCLSA-N 2 0 321.431 2.725 20 0 DFADRP COCCCOc1cccc(C[NH2+]C[C@@H]2CCCC[N@H+](C)C2)c1 ZINC000623656172 399437115 /nfs/dbraw/zinc/43/71/15/399437115.db2.gz OOCGMNQGXQDIAZ-SFHVURJKSA-N 2 0 320.477 2.923 20 0 DFADRP C[N@@H+]1CCCC[C@@H](C[NH2+]Cc2ccc(O[C@H]3CCOC3)cc2)C1 ZINC000623656996 399437371 /nfs/dbraw/zinc/43/73/71/399437371.db2.gz HJJWGULISIOBRX-HKUYNNGSSA-N 2 0 318.461 2.676 20 0 DFADRP COc1ccc2c(c1)C[C@@H]([NH2+]C[C@@H]1CCCC[N@H+](C)C1)CC2 ZINC000623657689 399438229 /nfs/dbraw/zinc/43/82/29/399438229.db2.gz WPCHTLDFWBTIOH-YJBOKZPZSA-N 2 0 302.462 2.874 20 0 DFADRP C[C@H]1CN(Cc2ccccc2)CC[C@@H]1[NH2+]CCCC[NH+](C)C ZINC000269050462 207200076 /nfs/dbraw/zinc/20/00/76/207200076.db2.gz VWVGRGFMGWWZPX-HKUYNNGSSA-N 2 0 303.494 2.828 20 0 DFADRP C[C@H]1C[C@H]([NH2+]CCCC[NH+](C)C)CCN1Cc1ccccc1 ZINC000269054754 207202863 /nfs/dbraw/zinc/20/28/63/207202863.db2.gz WKVPEMWPEBAHNG-PKOBYXMFSA-N 2 0 303.494 2.971 20 0 DFADRP C[C@H]1O[C@@H](C)[C@H](C)[C@@H]1[NH2+]Cc1ccc(OCC[NH+](C)C)cc1 ZINC000623723958 399451225 /nfs/dbraw/zinc/45/12/25/399451225.db2.gz LYFYZMDXCQCZEA-AFIMGQEJSA-N 2 0 306.450 2.529 20 0 DFADRP COC(=O)c1[nH]c(CN2CCC[C@H]([NH+]3CCCC3)CC2)cc1C ZINC000602478071 399455897 /nfs/dbraw/zinc/45/58/97/399455897.db2.gz OAPZHXLSQGQKIZ-INIZCTEOSA-N 2 0 319.449 2.560 20 0 DFADRP CSCC[NH2+]Cc1c(Cl)cccc1N1CC[NH+](C)CC1 ZINC000611292568 399458633 /nfs/dbraw/zinc/45/86/33/399458633.db2.gz KZGZAKAJYMTWBK-UHFFFAOYSA-N 2 0 313.898 2.544 20 0 DFADRP C[C@H]1C[C@@H](NCc2ccc[nH]c2=O)CC[N@@H+]1Cc1ccccc1 ZINC000623777329 399463966 /nfs/dbraw/zinc/46/39/66/399463966.db2.gz AJAYLWJATLJDRQ-YJBOKZPZSA-N 2 0 311.429 2.930 20 0 DFADRP C[N@@H+]1CCC[C@H]1CC[NH+](CCCO)[C@H]1CCc2ccccc21 ZINC000269129716 207262584 /nfs/dbraw/zinc/26/25/84/207262584.db2.gz IUIZWJAEZCFJTC-HKUYNNGSSA-N 2 0 302.462 2.843 20 0 DFADRP C[C@@H]1C[C@@H](NCc2ccc[nH]c2=O)CC[N@@H+]1Cc1ccccc1 ZINC000623777328 399464228 /nfs/dbraw/zinc/46/42/28/399464228.db2.gz AJAYLWJATLJDRQ-QAPCUYQASA-N 2 0 311.429 2.930 20 0 DFADRP C[N@@H+]1CCC[C@H]1CC[NH+]1CCC([C@@H](O)c2ccccc2)CC1 ZINC000269138758 207270421 /nfs/dbraw/zinc/27/04/21/207270421.db2.gz YQOYSQAYSABZDX-OALUTQOASA-N 2 0 302.462 2.916 20 0 DFADRP CCC[N@H+](CC)Cc1ccc(C(=O)N2CCCC[C@@H]2C[NH3+])cc1 ZINC000269168410 207291830 /nfs/dbraw/zinc/29/18/30/207291830.db2.gz DPRHTZKUQHNTIN-GOSISDBHSA-N 2 0 317.477 2.872 20 0 DFADRP CCC[N@H+](CC)Cc1ccc(C(=O)N2CCC[C@H]2C[NH2+]C)cc1 ZINC000269190307 207311438 /nfs/dbraw/zinc/31/14/38/207311438.db2.gz KRAOAXGBKXMWGQ-SFHVURJKSA-N 2 0 317.477 2.743 20 0 DFADRP CC(C)(C)OC(=O)CCCC[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000611395272 399470415 /nfs/dbraw/zinc/47/04/15/399470415.db2.gz ZSUDRKMADBHVGC-UHFFFAOYSA-N 2 0 310.482 2.962 20 0 DFADRP COC[C@H](CCC[NH3+])[NH2+]Cc1cc(C)cc2c(C)c(C)[nH]c21 ZINC000422735507 296323761 /nfs/dbraw/zinc/32/37/61/296323761.db2.gz DZVNZVUAEZSTLQ-INIZCTEOSA-N 2 0 303.450 2.937 20 0 DFADRP Cc1nc(C[NH3+])ccc1[C@H](C)NC[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC000422743265 296324894 /nfs/dbraw/zinc/32/48/94/296324894.db2.gz RFESQBVCXDLTJO-HOCLYGCPSA-N 2 0 304.482 2.620 20 0 DFADRP COC[C@@H](CCC[NH3+])[NH2+]C1CCN([C@H](C)c2ccccc2)CC1 ZINC000422745902 296325162 /nfs/dbraw/zinc/32/51/62/296325162.db2.gz NAIQFPOZFJXARL-VQIMIIECSA-N 2 0 319.493 2.556 20 0 DFADRP CC1CC[NH+](Cc2cccc(CN[C@@H]3CCC[C@@H]3[NH3+])c2)CC1 ZINC000422740114 296324552 /nfs/dbraw/zinc/32/45/52/296324552.db2.gz MIOZGWMBKJHPEN-RBUKOAKNSA-N 2 0 301.478 2.888 20 0 DFADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]C[C@H](c1c(F)cccc1F)N(C)C ZINC000422743021 296324770 /nfs/dbraw/zinc/32/47/70/296324770.db2.gz HRIWUIGQFGASDK-UHOFOFEASA-N 2 0 311.420 2.545 20 0 DFADRP C[C@@H]1CCC[N@H+](Cc2ccc(NC(=O)[C@]3(C)CC[NH2+]C3)cc2)C1 ZINC000269226869 207348636 /nfs/dbraw/zinc/34/86/36/207348636.db2.gz FGKBMJVVZRGPLT-DNVCBOLYSA-N 2 0 315.461 2.857 20 0 DFADRP C[C@@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]Cc1cccc(-n2ccnc2)c1 ZINC000422747323 296325711 /nfs/dbraw/zinc/32/57/11/296325711.db2.gz PURSBJQIYBYLNM-UZLBHIALSA-N 2 0 320.440 2.920 20 0 DFADRP CC(C)[C@@H]([NH3+])C(=O)Nc1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000269230838 207352966 /nfs/dbraw/zinc/35/29/66/207352966.db2.gz IDFVLCRHLZIRFE-WMLDXEAASA-N 2 0 303.450 2.840 20 0 DFADRP CC[C@H]([NH2+][C@@H]1CCC[C@H](C(=O)NC(C)C)C1)[C@H]1CCCC[NH2+]1 ZINC000422748544 296325773 /nfs/dbraw/zinc/32/57/73/296325773.db2.gz UZSXZBMXHNAOCJ-VVLHAWIVSA-N 2 0 309.498 2.580 20 0 DFADRP COc1cccc([C@@H](CN[C@H](C)[C@H]2CCC[NH2+]2)[NH+]2CCCC2)c1 ZINC000422753328 296326789 /nfs/dbraw/zinc/32/67/89/296326789.db2.gz GDUXWWKZKCRPJR-ATZDWAIDSA-N 2 0 317.477 2.562 20 0 DFADRP CCc1ccc(CC[NH2+][C@@H]2CCOC[C@H]2[C@H]2CCC[NH2+]2)cc1 ZINC000422750374 296326180 /nfs/dbraw/zinc/32/61/80/296326180.db2.gz CZCZAOSLWDBINA-IPMKNSEASA-N 2 0 302.462 2.538 20 0 DFADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+][C@@H]1CCCN(c2cccc(F)c2)C1 ZINC000422750577 296326227 /nfs/dbraw/zinc/32/62/27/296326227.db2.gz AAYXPSMRCALANW-KYJSFNMBSA-N 2 0 305.441 2.772 20 0 DFADRP CN(CC[NH2+]C1CC[NH+](C2CCCCC2)CC1)CC(F)F ZINC000623831961 399475198 /nfs/dbraw/zinc/47/51/98/399475198.db2.gz CNCSFBCNIDVEMT-UHFFFAOYSA-N 2 0 303.441 2.570 20 0 DFADRP CCOc1cc(CCC[NH2+][C@@H]2CCC[NH2+]CC2)ccc1OC ZINC000422751638 296326565 /nfs/dbraw/zinc/32/65/65/296326565.db2.gz GGGAURPRRQLWAQ-MRXNPFEDSA-N 2 0 306.450 2.758 20 0 DFADRP CCOC(=O)C1([C@H](C)[NH2+][C@@H](C)c2cccs2)CC[NH2+]CC1 ZINC000422751383 296326574 /nfs/dbraw/zinc/32/65/74/296326574.db2.gz CMRGOEQZSQGTRX-STQMWFEESA-N 2 0 310.463 2.720 20 0 DFADRP C[C@H]1CC[NH2+]CC[C@@H]1[NH2+]CC1(c2ccc(F)cc2)CCOCC1 ZINC000422751976 296326584 /nfs/dbraw/zinc/32/65/84/296326584.db2.gz DJUYKKUMJZPZRA-YJBOKZPZSA-N 2 0 320.452 2.852 20 0 DFADRP Cc1nc(C[NH3+])ccc1[C@H](C)NCCC[N@@H+]1CCCC[C@H]1C ZINC000422756839 296327601 /nfs/dbraw/zinc/32/76/01/296327601.db2.gz CMGAEQGCBIRUQN-CABCVRRESA-N 2 0 304.482 2.764 20 0 DFADRP CCOc1ccc(CC[NH2+][C@H](C)[C@H]2CC[NH2+]C2)cc1OCC ZINC000422757084 296327790 /nfs/dbraw/zinc/32/77/90/296327790.db2.gz JKQNNSBUTJIJMY-ZBFHGGJFSA-N 2 0 306.450 2.614 20 0 DFADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]C[C@H](CO)Cc1ccccc1 ZINC000422757076 296327820 /nfs/dbraw/zinc/32/78/20/296327820.db2.gz JIFAPZLNHPQODS-QRQLOZEOSA-N 2 0 304.478 2.738 20 0 DFADRP CCOc1cc(CCC[NH2+][C@H](C)[C@@H]2CC[NH2+]C2)ccc1OC ZINC000422763688 296328945 /nfs/dbraw/zinc/32/89/45/296328945.db2.gz ULLKCTWNFGKPQU-GDBMZVCRSA-N 2 0 306.450 2.614 20 0 DFADRP CC[C@H](N[C@@H]1CC[N@H+](Cc2ccccc2)C1)[C@@H]1CCCC[NH2+]1 ZINC000422761535 296328464 /nfs/dbraw/zinc/32/84/64/296328464.db2.gz MVQDVGBLZMHTKV-QYZOEREBSA-N 2 0 301.478 2.771 20 0 DFADRP Fc1ccc(C2(C[NH2+][C@@H]3CCC[NH2+]CC3)CCOCC2)cc1 ZINC000422762840 296328847 /nfs/dbraw/zinc/32/88/47/296328847.db2.gz ONBFUBFTABSKGQ-QGZVFWFLSA-N 2 0 306.425 2.606 20 0 DFADRP COc1cccc(NC2CC[NH+](C[C@@H]3CCC[NH2+]C3)CC2)c1 ZINC000346827219 284955779 /nfs/dbraw/zinc/95/57/79/284955779.db2.gz HWYRXYUMYDXOKV-OAHLLOKOSA-N 2 0 303.450 2.571 20 0 DFADRP COc1ccc([C@H](CN[C@@H]2CCC[C@H]2C[NH3+])[NH+]2CCCC2)cc1 ZINC000422767148 296329690 /nfs/dbraw/zinc/32/96/90/296329690.db2.gz YEOXJIRJTLCSJO-UHOSZYNNSA-N 2 0 317.477 2.549 20 0 DFADRP Cc1nc(C[NH3+])ccc1[C@H](C)NCC1([NH+](C)C)CCCCC1 ZINC000422766899 296329730 /nfs/dbraw/zinc/32/97/30/296329730.db2.gz XWMXSWWYHJHNGN-AWEZNQCLSA-N 2 0 304.482 2.764 20 0 DFADRP [NH3+][C@@H]1C[C@@H]([NH2+]CCCN2CCCCCC2=O)c2ccccc21 ZINC000422768213 296330044 /nfs/dbraw/zinc/33/00/44/296330044.db2.gz ZEWRXRNHUGUJMO-IAGOWNOFSA-N 2 0 301.434 2.514 20 0 DFADRP c1ccc(SCC[NH2+][C@@H]2CCOC[C@H]2[C@H]2CCC[NH2+]2)cc1 ZINC000422768743 296330089 /nfs/dbraw/zinc/33/00/89/296330089.db2.gz NZZVFJUCHAWJAP-GVDBMIGSSA-N 2 0 306.475 2.525 20 0 DFADRP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]C[C@@H](CCO)c1ccccc1 ZINC000422775590 296331006 /nfs/dbraw/zinc/33/10/06/296331006.db2.gz BYRTZMDBTFJQCF-PWIZWCRZSA-N 2 0 312.457 2.701 20 0 DFADRP [NH3+][C@H]1C[C@@H]([NH2+]CCCOCC2CCOCC2)c2ccccc21 ZINC000422775157 296331043 /nfs/dbraw/zinc/33/10/43/296331043.db2.gz AJRMFEGRPVTJKH-ZWKOTPCHSA-N 2 0 304.434 2.554 20 0 DFADRP COc1ccc(OCC[NH2+][C@H](C)c2ccc(C[NH3+])nc2C)cc1 ZINC000422778060 296331432 /nfs/dbraw/zinc/33/14/32/296331432.db2.gz AANGNHOPWNPNRG-CYBMUJFWSA-N 2 0 315.417 2.587 20 0 DFADRP [NH3+]C1CCC([NH2+][C@H]2CCCN(c3ccccc3Cl)C2=O)CC1 ZINC000422779411 296331650 /nfs/dbraw/zinc/33/16/50/296331650.db2.gz IPWPAKUFDXCIKP-PIMMBPRGSA-N 2 0 321.852 2.695 20 0 DFADRP CC[C@@H](NCc1ccc(C[NH+]2CCCC2)cc1)[C@@H]1CCC[NH2+]1 ZINC000422789280 296332980 /nfs/dbraw/zinc/33/29/80/296332980.db2.gz RZVYVVHBZPNSEY-MOPGFXCFSA-N 2 0 301.478 2.903 20 0 DFADRP Cc1cccc(O[C@H](C)C[NH2+][C@@H]2CCOC[C@@H]2[C@@H]2CCC[NH2+]2)c1 ZINC000422787997 296332982 /nfs/dbraw/zinc/33/29/82/296332982.db2.gz MVQNALJUNPITSM-OQIJWPOYSA-N 2 0 318.461 2.509 20 0 DFADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+][C@H](CN(C)C)c1ccccc1 ZINC000422790132 296333167 /nfs/dbraw/zinc/33/31/67/296333167.db2.gz PBAFUZIIVPXNTJ-DNVCBOLYSA-N 2 0 312.461 2.802 20 0 DFADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+][C@H](CN(C)C)c1ccccc1 ZINC000422790133 296333356 /nfs/dbraw/zinc/33/33/56/296333356.db2.gz PBAFUZIIVPXNTJ-HNAYVOBHSA-N 2 0 312.461 2.802 20 0 DFADRP COC[C@@H](CCC[NH3+])[NH2+]Cc1ccccc1C[NH+]1CCCCC1 ZINC000422793081 296333552 /nfs/dbraw/zinc/33/35/52/296333552.db2.gz ROPRNMFLELVJNN-LJQANCHMSA-N 3 0 319.493 2.516 20 0 DFADRP C[C@@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]CCCOCC1CCOCC1 ZINC000422791938 296333594 /nfs/dbraw/zinc/33/35/94/296333594.db2.gz WPAZGGHBLMOOMO-WMZOPIPTSA-N 2 0 312.498 2.720 20 0 DFADRP COC[C@H](CCC[NH3+])[NH2+]Cc1ccccc1C[NH+]1CCCCC1 ZINC000422792708 296333644 /nfs/dbraw/zinc/33/36/44/296333644.db2.gz ROPRNMFLELVJNN-IBGZPJMESA-N 3 0 319.493 2.516 20 0 DFADRP CCOC(=O)C1([C@H](C)[NH2+][C@H]2CCC[C@@H](CC)C2)CC[NH2+]CC1 ZINC000422791610 296333784 /nfs/dbraw/zinc/33/37/84/296333784.db2.gz WHGGJTILGMRDPO-XHSDSOJGSA-N 2 0 310.482 2.866 20 0 DFADRP OCC[C@H](C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1)c1ccccc1 ZINC000422792032 296333825 /nfs/dbraw/zinc/33/38/25/296333825.db2.gz WRTWPUABCZSJOV-AKHDSKFASA-N 2 0 302.462 2.663 20 0 DFADRP CC[NH+](CC)[C@@H](CN[C@H]1CCC[NH2+]CC1)c1cccc(OC)c1 ZINC000422794832 296334008 /nfs/dbraw/zinc/33/40/08/296334008.db2.gz GYVQVPZKBZWIDT-HKUYNNGSSA-N 2 0 319.493 2.810 20 0 DFADRP CC(C)[C@@H]([NH3+])C(=O)NCc1ccccc1C[N@@H+]1CCC[C@@H](C)C1 ZINC000269246655 207383020 /nfs/dbraw/zinc/38/30/20/207383020.db2.gz VBGZLLWFJHBSHL-CRAIPNDOSA-N 2 0 317.477 2.518 20 0 DFADRP COC[C@H](CCC[NH3+])[NH2+][C@H](C)c1ccc(OC(F)F)cc1 ZINC000422801851 296335618 /nfs/dbraw/zinc/33/56/18/296335618.db2.gz GHQVCSRAQHUISX-YPMHNXCESA-N 2 0 302.365 2.693 20 0 DFADRP [NH3+][C@H]1CCC[C@@H]1[NH2+]CC1(c2ccc3c(c2)OCCO3)CCCC1 ZINC000422800031 296335144 /nfs/dbraw/zinc/33/51/44/296335144.db2.gz ZDZREKCNCJTOCU-HOTGVXAUSA-N 2 0 316.445 2.739 20 0 DFADRP COC[C@@H](CCC[NH3+])[NH2+][C@@H](C)c1ccc(OC(F)F)cc1 ZINC000422801850 296335443 /nfs/dbraw/zinc/33/54/43/296335443.db2.gz GHQVCSRAQHUISX-WCQYABFASA-N 2 0 302.365 2.693 20 0 DFADRP c1ccc([C@@H]2C[C@@H](NCC[NH+]3CCCCCC3)CC[NH2+]2)cc1 ZINC000422805528 296336307 /nfs/dbraw/zinc/33/63/07/296336307.db2.gz JHWXBTQOQUXGDD-OALUTQOASA-N 2 0 301.478 2.945 20 0 DFADRP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]CCCN1CCc2ccccc21 ZINC000422806557 296336774 /nfs/dbraw/zinc/33/67/74/296336774.db2.gz NPXJJGFSMNPJNO-FXAWDEMLSA-N 2 0 323.484 2.987 20 0 DFADRP [NH3+][C@H]1CCCCC[C@H]1[NH2+]CCc1nc(C(F)(F)F)cs1 ZINC000422809137 296336996 /nfs/dbraw/zinc/33/69/96/296336996.db2.gz PJHZRPWROBNMJF-VHSXEESVSA-N 2 0 307.385 2.954 20 0 DFADRP C[C@H]([NH3+])[C@@H]1COCC[C@H]1[NH2+]CCOc1ccc2ccccc2c1 ZINC000422809961 296337042 /nfs/dbraw/zinc/33/70/42/296337042.db2.gz MVBFYVGZTVDHGC-ZOCIIQOWSA-N 2 0 314.429 2.561 20 0 DFADRP COc1ccc([C@@H](NCC[NH+]2CCCCC2)[C@@H]2CCC[NH2+]2)cc1 ZINC000422809974 296337122 /nfs/dbraw/zinc/33/71/22/296337122.db2.gz MVYFKFQJRKJEOM-RBUKOAKNSA-N 2 0 317.477 2.564 20 0 DFADRP C[C@H](CCCC[NH3+])[NH2+][C@@H](c1nccn1C)c1cccc(F)c1 ZINC000422810546 296337140 /nfs/dbraw/zinc/33/71/40/296337140.db2.gz NONFKCVVQAKJDP-CZUORRHYSA-N 2 0 304.413 2.756 20 0 DFADRP CN(C)c1cc(C[NH2+][C@@H]2CCCC[C@H]2C[NH3+])c2ccccc2n1 ZINC000422806475 296336573 /nfs/dbraw/zinc/33/65/73/296336573.db2.gz KXXUEJFGRACZAV-WMLDXEAASA-N 2 0 312.461 2.908 20 0 DFADRP C[C@H]([NH3+])C[C@H](C)[NH2+]Cc1ccc(C[NH+]2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000422814511 296337848 /nfs/dbraw/zinc/33/78/48/296337848.db2.gz VFZBGHGTTVAEEM-MWDXBVQZSA-N 3 0 319.493 2.511 20 0 DFADRP FC(F)(F)COCc1ccc(C[NH2+][C@H]2CCC[NH2+]CC2)cc1 ZINC000422816793 296338780 /nfs/dbraw/zinc/33/87/80/296338780.db2.gz BKMYNSTYGGBMLO-HNNXBMFYSA-N 2 0 316.367 2.997 20 0 DFADRP CC(C)(C)C1CCC(C[N@@H+]2CC[C@H](n3cc(C[NH3+])nn3)C2)CC1 ZINC000631845506 399506442 /nfs/dbraw/zinc/50/64/42/399506442.db2.gz DAYXJOHTFFBQRU-DQPZFDDXSA-N 2 0 319.497 2.836 20 0 DFADRP COCCCCC[NH2+][C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422819449 296339058 /nfs/dbraw/zinc/33/90/58/296339058.db2.gz IHHHFGYVFFHYND-FUHWJXTLSA-N 2 0 304.434 2.649 20 0 DFADRP C[NH+](C)CCOCC[NH2+][C@H]1CCc2cc(F)c(Cl)cc21 ZINC000623967538 399507095 /nfs/dbraw/zinc/50/70/95/399507095.db2.gz AOTAGAIVUZGGAN-HNNXBMFYSA-N 2 0 300.805 2.634 20 0 DFADRP C[C@H]([NH2+]CCC1CCN(CC(F)(F)F)CC1)[C@@H]1CCCC[NH2+]1 ZINC000422817739 296338650 /nfs/dbraw/zinc/33/86/50/296338650.db2.gz IDSXOGLIBYEXIP-ZFWWWQNUSA-N 2 0 321.431 2.771 20 0 DFADRP FC(F)(F)C1CCC([NH2+][C@@H]2CCOC[C@@H]2[C@H]2CCC[NH2+]2)CC1 ZINC000422821388 296339456 /nfs/dbraw/zinc/33/94/56/296339456.db2.gz VXCHVAFKVBHSPC-CLACGNGHSA-N 2 0 320.399 2.854 20 0 DFADRP CC[C@@H](NCC[N@H+](C)Cc1ccc(F)cc1)[C@@H]1CCCC[NH2+]1 ZINC000422820899 296339457 /nfs/dbraw/zinc/33/94/57/296339457.db2.gz SVKCMCRPSIUDTK-MSOLQXFVSA-N 2 0 307.457 2.768 20 0 DFADRP C[C@H](Nc1cc(N2CCC[C@H](C)C2)ncn1)C1CC[NH+](C)CC1 ZINC000623969044 399507495 /nfs/dbraw/zinc/50/74/95/399507495.db2.gz UWJCYKCPMQPOAP-GJZGRUSLSA-N 2 0 317.481 2.855 20 0 DFADRP C[NH2+]C1CCN(CC(C)(C)C[N@H+](C)Cc2ccccc2)CC1 ZINC000347011242 285001321 /nfs/dbraw/zinc/00/13/21/285001321.db2.gz UIYFZVPZFVDSPT-UHFFFAOYSA-N 2 0 303.494 2.828 20 0 DFADRP CC(C)CC[NH+]1CCC(C[NH2+][C@@H](C)c2cnccc2N)CC1 ZINC000422830840 296341076 /nfs/dbraw/zinc/34/10/76/296341076.db2.gz DEFJOLYONUZQPR-HNNXBMFYSA-N 2 0 304.482 2.903 20 0 DFADRP C[C@H]1CCNC[C@@H]1[NH2+]CC1CC[NH+](Cc2cccs2)CC1 ZINC000422830741 296341159 /nfs/dbraw/zinc/34/11/59/296341159.db2.gz RQCUNFISHOJWNG-YOEHRIQHSA-N 2 0 307.507 2.548 20 0 DFADRP C[C@H]1CC[C@H](C)[NH+]1CC(=O)N(CC[NH+](C)C)C1CCCCC1 ZINC000347012199 285002072 /nfs/dbraw/zinc/00/20/72/285002072.db2.gz VDCQQWIBIPPGKP-HOTGVXAUSA-N 2 0 309.498 2.582 20 0 DFADRP CC(C)(C[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccc2c(c1)OCO2 ZINC000422828093 296340309 /nfs/dbraw/zinc/34/03/09/296340309.db2.gz SSUOCXSIKUPDKC-YIONKMFJSA-N 2 0 302.418 2.566 20 0 DFADRP [NH3+]C1CCC([NH2+]Cc2nccn2CCCc2ccccc2)CC1 ZINC000422828751 296340596 /nfs/dbraw/zinc/34/05/96/296340596.db2.gz GRTZUUXEJAQCCI-UHFFFAOYSA-N 2 0 312.461 2.875 20 0 DFADRP C[C@H]1CC[NH2+]CC[C@@H]1[NH2+]CC1CC[NH+](Cc2cccs2)CC1 ZINC000422835558 296341620 /nfs/dbraw/zinc/34/16/20/296341620.db2.gz YSDYXGCIQRBPDO-YJBOKZPZSA-N 3 0 321.534 2.938 20 0 DFADRP CC(C)(C[NH2+][C@@H]1CCOC[C@H]1[C@@H]1CCC[NH2+]1)c1ccccc1 ZINC000422833735 296341672 /nfs/dbraw/zinc/34/16/72/296341672.db2.gz MUVUISYXLVYQJV-OKZBNKHCSA-N 2 0 302.462 2.711 20 0 DFADRP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+][C@@H]1CCCN(Cc2ccccc2)C1 ZINC000422834331 296341799 /nfs/dbraw/zinc/34/17/99/296341799.db2.gz NSKXCKKABPYVOF-QRVBRYPASA-N 2 0 301.478 2.901 20 0 DFADRP C[C@H]([NH3+])[C@H](Cc1ccccc1)NC1CC[NH+](C2CCCC2)CC1 ZINC000422835825 296342161 /nfs/dbraw/zinc/34/21/61/296342161.db2.gz JEEBCGDPRYNPOL-JXFKEZNVSA-N 2 0 315.505 2.942 20 0 DFADRP [NH3+][C@H]1CCCCC[C@H]1NC1CC[NH+](CCc2ccccc2)CC1 ZINC000422844132 296343462 /nfs/dbraw/zinc/34/34/62/296343462.db2.gz KXKNIORKAKQINU-VQTJNVASSA-N 2 0 315.505 2.943 20 0 DFADRP [NH3+]CC1CCC([NH2+]CC2(c3ccccc3)CCOCC2)CC1 ZINC000422840255 296342808 /nfs/dbraw/zinc/34/28/08/296342808.db2.gz BDYLYTSILUHIIR-UHFFFAOYSA-N 2 0 302.462 2.842 20 0 DFADRP CC(C)[C@H](CN[C@@H](C)c1c[nH+]ccc1N)[NH+]1CCC(C)CC1 ZINC000422840382 296342812 /nfs/dbraw/zinc/34/28/12/296342812.db2.gz BKUSTWKDUBWLDM-YJBOKZPZSA-N 2 0 304.482 2.901 20 0 DFADRP C[C@H]([NH2+]C[C@@H]1CCCN(Cc2cccs2)C1)[C@@H]1CC[NH2+]C1 ZINC000422841264 296342832 /nfs/dbraw/zinc/34/28/32/296342832.db2.gz VLGDPXXIHVDXCT-HRCADAONSA-N 2 0 307.507 2.548 20 0 DFADRP C[C@@H]([NH2+]Cc1ccc(C[N@@H+]2CCCC[C@H]2C)cc1)C1C[NH2+]C1 ZINC000422853431 296345373 /nfs/dbraw/zinc/34/53/73/296345373.db2.gz BTTGEPYYHFLQAN-HZPDHXFCSA-N 3 0 301.478 2.759 20 0 DFADRP COc1ccccc1N1CC[C@@H](C[NH2+][C@@H](C)[C@H]2CCCC[NH2+]2)C1 ZINC000422853313 296345386 /nfs/dbraw/zinc/34/53/86/296345386.db2.gz RXRSKQPKNHGYEB-YESZJQIVSA-N 2 0 317.477 2.642 20 0 DFADRP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+][C@H]1CCN(c2c(F)cccc2F)C1 ZINC000422861359 296346429 /nfs/dbraw/zinc/34/64/29/296346429.db2.gz JFFUHXQVDPGDRB-MAZHCROVSA-N 2 0 309.404 2.793 20 0 DFADRP Cc1cc(C)n(-c2ccc(CC[NH2+][C@@H](C)C[C@H](C)[NH3+])cc2)n1 ZINC000422861645 296346542 /nfs/dbraw/zinc/34/65/42/296346542.db2.gz MUIIMJUJUJDGSB-KBPBESRZSA-N 2 0 300.450 2.747 20 0 DFADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]C[C@H](C)N1CCCC[C@@H]1C ZINC000422863414 296346878 /nfs/dbraw/zinc/34/68/78/296346878.db2.gz OYWPOHRBZRQUFD-KKUMJFAQSA-N 2 0 304.482 2.762 20 0 DFADRP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+][C@H]1CCN(c2c(F)cccc2F)C1 ZINC000422863934 296346905 /nfs/dbraw/zinc/34/69/05/296346905.db2.gz MCTSAUGTYSONJZ-HEHGZKQESA-N 2 0 309.404 2.651 20 0 DFADRP C[C@H]([NH3+])[C@H](Cc1ccccc1)N[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000422865553 296346955 /nfs/dbraw/zinc/34/69/55/296346955.db2.gz YMNFWCDNVMJKJL-WDYCEAGBSA-N 2 0 301.478 2.551 20 0 DFADRP COc1cc2[nH]c(CCC[NH2+][C@H](C)C[C@@H](C)[NH3+])cc2c(OC)c1 ZINC000422866775 296347062 /nfs/dbraw/zinc/34/70/62/296347062.db2.gz RBNYMFHVSQXQHE-CHWSQXEVSA-N 2 0 319.449 2.833 20 0 DFADRP C[C@@H]1CCC[N@H+](CCN[C@H]2CC[NH2+][C@H](c3ccccc3)C2)C1 ZINC000422860043 296346257 /nfs/dbraw/zinc/34/62/57/296346257.db2.gz KYPYJLGANPPQPC-NEWSRXKRSA-N 2 0 301.478 2.801 20 0 DFADRP C[C@@H]1CCC[N@H+](CCN[C@@H]2CC[NH2+][C@@H](c3ccccc3)C2)C1 ZINC000422860042 296346270 /nfs/dbraw/zinc/34/62/70/296346270.db2.gz KYPYJLGANPPQPC-BHIYHBOVSA-N 2 0 301.478 2.801 20 0 DFADRP COCCOc1cc(C)ccc1C[NH2+][C@H]1CCCC[C@H]1C[NH3+] ZINC000422861032 296346332 /nfs/dbraw/zinc/34/63/32/296346332.db2.gz ITRNDVJQRSBLIV-RDJZCZTQSA-N 2 0 306.450 2.627 20 0 DFADRP CCOC(=O)C1([C@@H](C)[NH2+][C@@H]2CCCCC2(C)C)CC[NH2+]CC1 ZINC000422871915 296348112 /nfs/dbraw/zinc/34/81/12/296348112.db2.gz DWCCJSMXFQVVTA-HUUCEWRRSA-N 2 0 310.482 2.866 20 0 DFADRP C[C@H](N[C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1)[C@H]1CCC[NH2+]C1 ZINC000422872821 296348138 /nfs/dbraw/zinc/34/81/38/296348138.db2.gz ITQQVDPBRSXMMU-PBWTXFEYSA-N 2 0 301.478 2.627 20 0 DFADRP Cc1cc(C)n(-c2ccc(CC[NH2+][C@H](C)[C@H]3CC[NH2+]C3)cc2)n1 ZINC000422867670 296347273 /nfs/dbraw/zinc/34/72/73/296347273.db2.gz STXYMACRUAWEBG-AEFFLSMTSA-N 2 0 312.461 2.619 20 0 DFADRP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+]CCCN(C)CC(F)(F)F ZINC000422868602 296347444 /nfs/dbraw/zinc/34/74/44/296347444.db2.gz VPQNBNLTKLEMAD-ZIAGYGMSSA-N 2 0 309.420 2.771 20 0 DFADRP Cc1ccc([C@@H](CN[C@H](C)[C@@H]2CCCC[NH2+]2)[NH+]2CCCC2)o1 ZINC000422877965 296349078 /nfs/dbraw/zinc/34/90/78/296349078.db2.gz JEWJHBZRGATIRE-IXDOHACOSA-N 2 0 305.466 2.845 20 0 DFADRP C[C@@H]([NH2+][C@@H](C)c1ccc(NC(=O)NC2CC2)cc1)[C@@H]1CC[NH2+]C1 ZINC000422878354 296349117 /nfs/dbraw/zinc/34/91/17/296349117.db2.gz JACJMWOGXXQHSJ-GZBFAFLISA-N 2 0 316.449 2.619 20 0 DFADRP COc1ccc(C[NH2+][C@H]2CCC[C@H]2C[NH3+])c(C(F)(F)F)c1 ZINC000422877211 296349178 /nfs/dbraw/zinc/34/91/78/296349178.db2.gz HJGAFPUSVRTDBH-HZMBPMFUSA-N 2 0 302.340 2.931 20 0 DFADRP C[C@H]([NH2+][C@@H](C)[C@@H]1CC[NH2+]C1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000422878355 296349198 /nfs/dbraw/zinc/34/91/98/296349198.db2.gz JACJMWOGXXQHSJ-KCQAQPDRSA-N 2 0 316.449 2.619 20 0 DFADRP CCOc1ccc(C2(C[NH2+][C@@H](C)C[C@@H](C)[NH3+])CCOCC2)cc1 ZINC000422874540 296348521 /nfs/dbraw/zinc/34/85/21/296348521.db2.gz AIJHRXYXVIVHST-CVEARBPZSA-N 2 0 320.477 2.849 20 0 DFADRP CC[N@H+](CCN[C@H](c1ccc(OC)cc1)[C@@H]1CCC[NH2+]1)C1CC1 ZINC000422874770 296348682 /nfs/dbraw/zinc/34/86/82/296348682.db2.gz BBGCMODYNUBBAU-RBUKOAKNSA-N 2 0 317.477 2.562 20 0 DFADRP CCOc1cccc(C[NH2+][C@H](C)C[C@@H](C)[NH3+])c1OC(F)F ZINC000422876142 296348702 /nfs/dbraw/zinc/34/87/02/296348702.db2.gz PWAFYXJWEPMMPY-GHMZBOCLSA-N 2 0 302.365 2.902 20 0 DFADRP COc1ccc(OC(F)F)c(C[NH2+][C@@H]2CCC[C@@H]2C[NH3+])c1 ZINC000422875559 296348879 /nfs/dbraw/zinc/34/88/79/296348879.db2.gz PEBGORQHVVZYIQ-ZWNOBZJWSA-N 2 0 300.349 2.514 20 0 DFADRP C[C@@H]1CCCC[C@H]1C[N@H+](C)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000377633102 296350012 /nfs/dbraw/zinc/35/00/12/296350012.db2.gz UVFHYBGRLHPFGT-AOIWGVFYSA-N 2 0 307.526 2.913 20 0 DFADRP C[C@@H]([NH3+])[C@H](Cc1ccccc1)NCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000422884343 296350217 /nfs/dbraw/zinc/35/02/17/296350217.db2.gz RWBBFLXSMLQZIR-RMJJICAUSA-N 2 0 317.521 2.903 20 0 DFADRP COc1ccc(C[NH2+][C@@H](C)C[C@@H](C)[NH3+])cc1Br ZINC000422886073 296350581 /nfs/dbraw/zinc/35/05/81/296350581.db2.gz ZZKVJXKPEXNGHN-ZJUUUORDSA-N 2 0 301.228 2.673 20 0 DFADRP COC[C@H](CCC[NH3+])[NH2+][C@@H](C)c1cccc(N2CCCC2)c1 ZINC000422879942 296349443 /nfs/dbraw/zinc/34/94/43/296349443.db2.gz WFOKSVQIYJNKMC-RDJZCZTQSA-N 2 0 305.466 2.691 20 0 DFADRP CCOCCC1(C[NH2+][C@@H]2CCOC[C@H]2[C@H]2CCC[NH2+]2)CCCC1 ZINC000422885515 296350597 /nfs/dbraw/zinc/35/05/97/296350597.db2.gz GWFJCBQLCVDIOY-RCCFBDPRSA-N 2 0 324.509 2.720 20 0 DFADRP COC1CC[NH+](C2(CN[C@@H](C)[C@@H]3CCCC[NH2+]3)CCCC2)CC1 ZINC000422882405 296349602 /nfs/dbraw/zinc/34/96/02/296349602.db2.gz AQFMRQIUBBYJKQ-WMZOPIPTSA-N 2 0 323.525 2.530 20 0 DFADRP Cc1ccccc1C1(C[NH2+][C@@H]2CCC[C@@H]2C[NH3+])CCOCC1 ZINC000422882261 296349843 /nfs/dbraw/zinc/34/98/43/296349843.db2.gz RRZKAWBYDRRIMM-SJLPKXTDSA-N 2 0 302.462 2.760 20 0 DFADRP Cc1ccccc1C1(C[NH2+][C@H]2CCC[C@@H]2C[NH3+])CCOCC1 ZINC000422882259 296349892 /nfs/dbraw/zinc/34/98/92/296349892.db2.gz RRZKAWBYDRRIMM-AEFFLSMTSA-N 2 0 302.462 2.760 20 0 DFADRP CC1CCN(c2ccc(C[NH2+][C@@H]3CCC[C@H]3C[NH3+])cn2)CC1 ZINC000422886951 296350930 /nfs/dbraw/zinc/35/09/30/296350930.db2.gz AENJUKGZJKSHJP-DLBZAZTESA-N 2 0 302.466 2.535 20 0 DFADRP [NH3+]C[C@H]1CCC[C@@H]1[NH2+]Cc1ccc(N2CCCCCC2)nc1 ZINC000422888210 296350957 /nfs/dbraw/zinc/35/09/57/296350957.db2.gz CCWLAKLLQNCIDW-SJORKVTESA-N 2 0 302.466 2.679 20 0 DFADRP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000422889958 296351330 /nfs/dbraw/zinc/35/13/30/296351330.db2.gz RAJLCMJUSJJIFX-ZHALLVOQSA-N 3 0 315.505 2.875 20 0 DFADRP C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2CN[C@H]2CC[NH2+]C2)C1 ZINC000422892166 296351599 /nfs/dbraw/zinc/35/15/99/296351599.db2.gz MKLFGQAIBSCAEW-FCEWJHQRSA-N 2 0 301.478 2.616 20 0 DFADRP C[C@H]([NH2+]CCCC[NH+]1C[C@H](C)C[C@@H](C)C1)c1cnccc1N ZINC000422887713 296350849 /nfs/dbraw/zinc/35/08/49/296350849.db2.gz YZVXWQDCEBHGHZ-OAGGEKHMSA-N 2 0 304.482 2.903 20 0 DFADRP CC[C@H](C)[N@H+](C)CCN[C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422901412 296353066 /nfs/dbraw/zinc/35/30/66/296353066.db2.gz BZYFBDBVQGFCDI-WDYCEAGBSA-N 2 0 317.477 2.562 20 0 DFADRP COc1ccc(COCCC[NH2+][C@@H]2CCCC[C@H]2C[NH3+])cc1 ZINC000422902923 296353328 /nfs/dbraw/zinc/35/33/28/296353328.db2.gz FBJJHJSCNQDVEV-FUHWJXTLSA-N 2 0 306.450 2.709 20 0 DFADRP COc1ccc(COCCC[NH2+][C@@H]2CCCC[C@@H]2C[NH3+])cc1 ZINC000422902924 296353355 /nfs/dbraw/zinc/35/33/55/296353355.db2.gz FBJJHJSCNQDVEV-SJLPKXTDSA-N 2 0 306.450 2.709 20 0 DFADRP CC[C@H](C)NC(=O)c1cccc(C[NH2+][C@@H]2CCCC[C@@H]2C[NH3+])c1 ZINC000422895019 296352293 /nfs/dbraw/zinc/35/22/93/296352293.db2.gz UXGRCLVLHALQIR-BMGDILEWSA-N 2 0 317.477 2.822 20 0 DFADRP Cc1nccn1-c1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1F ZINC000422897231 296352441 /nfs/dbraw/zinc/35/24/41/296352441.db2.gz BOBCPGVJFLEQBN-XYPWUTKMSA-N 2 0 314.408 2.692 20 0 DFADRP Fc1ccc(C2(C[NH2+][C@@H]3CCOC[C@@H]3[C@H]3CCC[NH2+]3)CC2)cc1 ZINC000422897491 296352528 /nfs/dbraw/zinc/35/25/28/296352528.db2.gz JWVSVJLGUZJGLD-KZNAEPCWSA-N 2 0 318.436 2.604 20 0 DFADRP CC[C@@H](NC1CC[NH+](Cc2ccccn2)CC1)[C@H]1CCCC[NH2+]1 ZINC000422896801 296352536 /nfs/dbraw/zinc/35/25/36/296352536.db2.gz IPCWRHBIKMLARH-RTBURBONSA-N 2 0 316.493 2.556 20 0 DFADRP [NH3+]C[C@@H]1CCC[C@H]1[NH2+][C@H]1CCCN(Cc2c(F)cccc2F)C1 ZINC000422903270 296353857 /nfs/dbraw/zinc/35/38/57/296353857.db2.gz FHHWGINRXFXTSJ-SUNYJGFJSA-N 2 0 323.431 2.646 20 0 DFADRP COc1ccc(Cl)cc1N1CC[C@H]([NH2+][C@H](C)CCC[NH3+])C1 ZINC000422906503 296354144 /nfs/dbraw/zinc/35/41/44/296354144.db2.gz JZSQAZXCEBYTLV-OCCSQVGLSA-N 2 0 311.857 2.644 20 0 DFADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]CCCc1nc2c(s1)CCCC2 ZINC000422906109 296354149 /nfs/dbraw/zinc/35/41/49/296354149.db2.gz JDHJOPHWWCQBEX-ZIAGYGMSSA-N 2 0 307.507 2.932 20 0 DFADRP FC(F)(F)CC[NH2+][C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422917443 296355338 /nfs/dbraw/zinc/35/53/38/296355338.db2.gz DWVAUHTYWMOYPF-OCCSQVGLSA-N 2 0 300.324 2.784 20 0 DFADRP CCOC(=O)C1([C@H](C)[NH2+][C@@H]2C[C@H]2C2CCCCC2)CC[NH2+]CC1 ZINC000422920112 296355538 /nfs/dbraw/zinc/35/55/38/296355538.db2.gz LNCWXDYEFPUVJI-BHYGNILZSA-N 2 0 322.493 2.866 20 0 DFADRP C[C@H](C[C@@H]1COCC[NH2+]1)N[C@@H](C)c1c(F)cccc1Cl ZINC000422919527 296355686 /nfs/dbraw/zinc/35/56/86/296355686.db2.gz JWVCRFIVQLEDFY-GRYCIOLGSA-N 2 0 300.805 2.897 20 0 DFADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]C[C@@H]1CCCO[C@@H]1C(C)C ZINC000422921604 296355809 /nfs/dbraw/zinc/35/58/09/296355809.db2.gz QQAVYJDDSZPWBT-DHSIGJKJSA-N 2 0 305.466 2.951 20 0 DFADRP Cc1ccoc1C(=O)NCCC[NH2+][C@@H](C)C[C@H]1CCCCC[NH2+]1 ZINC000422922334 296355911 /nfs/dbraw/zinc/35/59/11/296355911.db2.gz PZKLCHGMLDTOKP-JKSUJKDBSA-N 2 0 321.465 2.608 20 0 DFADRP CC(C)[C@@H](C[NH2+][C@H](C)CCC[NH3+])N1CCc2ccccc2C1 ZINC000422925187 296355925 /nfs/dbraw/zinc/35/59/25/296355925.db2.gz APSCKKUWQQZFJD-VQIMIIECSA-N 2 0 303.494 2.786 20 0 DFADRP C[C@H](CCC[NH3+])[NH2+]CCOc1cccc(Br)c1 ZINC000422929787 296356893 /nfs/dbraw/zinc/35/68/93/296356893.db2.gz AALWDUDXTLUINL-LLVKDONJSA-N 2 0 301.228 2.545 20 0 DFADRP CC[C@@H]([NH2+]CCCc1ccc2c(c1)OCCO2)[C@@H]1CCC[NH2+]1 ZINC000422931330 296356986 /nfs/dbraw/zinc/35/69/86/296356986.db2.gz XGTLMPTWFNLKNY-CVEARBPZSA-N 2 0 304.434 2.511 20 0 DFADRP Cc1cccc(C)c1CC[NH2+][C@@H]1CCOC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000422933779 296357255 /nfs/dbraw/zinc/35/72/55/296357255.db2.gz DTMRYGITYKBUMG-GUDVDZBRSA-N 2 0 302.462 2.593 20 0 DFADRP CC(C)[C@H](C[NH2+][C@H](C)CCC[NH3+])N1CCc2ccccc2C1 ZINC000422925183 296356200 /nfs/dbraw/zinc/35/62/00/296356200.db2.gz APSCKKUWQQZFJD-APWZRJJASA-N 2 0 303.494 2.786 20 0 DFADRP C[C@H]([NH2+]CCOc1cccc(C(F)(F)F)c1)[C@H]1CC[NH2+]C1 ZINC000422939232 296358168 /nfs/dbraw/zinc/35/81/68/296358168.db2.gz IABBKMYIIPZWKZ-RYUDHWBXSA-N 2 0 302.340 2.672 20 0 DFADRP Brc1ccc(OCC[NH2+][C@H]2CCC[NH2+]CC2)cc1 ZINC000422942204 296358724 /nfs/dbraw/zinc/35/87/24/296358724.db2.gz JAXXVTCWMHMBQM-ZDUSSCGKSA-N 2 0 313.239 2.560 20 0 DFADRP c1nc2ccccc2n1Cc1cccc(C[NH2+]C2CC[NH2+]CC2)c1 ZINC000422935730 296357552 /nfs/dbraw/zinc/35/75/52/296357552.db2.gz HQZOUIZBBBTARL-UHFFFAOYSA-N 2 0 320.440 2.926 20 0 DFADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]CCOc1ccc(F)cc1 ZINC000422936045 296357689 /nfs/dbraw/zinc/35/76/89/296357689.db2.gz HTUDLOPAJOYOAJ-LBPRGKRZSA-N 2 0 303.381 2.717 20 0 DFADRP FC(F)(F)c1cccc(OCC[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC000422945745 296359044 /nfs/dbraw/zinc/35/90/44/296359044.db2.gz NPOPHOZSCNNSOF-PBWFPOADSA-N 2 0 314.351 2.957 20 0 DFADRP CC[C@H]([NH2+][C@@H]1CC[NH2+]CC[C@H]1C)c1ccc2c(c1)OCCO2 ZINC000422947110 296359200 /nfs/dbraw/zinc/35/92/00/296359200.db2.gz PXKFEGHKOVBHHM-VNQPRFMTSA-N 2 0 304.434 2.887 20 0 DFADRP CC(C)[C@H](CN[C@@H]1CCC[NH2+]CC1)[N@@H+]1CCc2ccccc2C1 ZINC000422947593 296359386 /nfs/dbraw/zinc/35/93/86/296359386.db2.gz YNKRXJZCPKWHMA-UXHICEINSA-N 2 0 315.505 2.801 20 0 DFADRP CCc1noc(-c2ccc(CC[NH2+][C@@H](C)CCCC[NH3+])cc2)n1 ZINC000422947381 296359491 /nfs/dbraw/zinc/35/94/91/296359491.db2.gz QKRAGVHTNAYBRE-AWEZNQCLSA-N 2 0 316.449 2.949 20 0 DFADRP CCOc1ccc(OCC[N@@H+]2CCC[C@@H]3C[NH2+]CC[C@@H]32)cc1 ZINC000631887489 399519979 /nfs/dbraw/zinc/51/99/79/399519979.db2.gz SBOIMDVNQYFADT-QAPCUYQASA-N 2 0 304.434 2.538 20 0 DFADRP Cc1nc(-c2ccc(C[NH2+][C@@H]3CCOC[C@@H]3[C@@H](C)[NH3+])o2)cs1 ZINC000422948674 296359739 /nfs/dbraw/zinc/35/97/39/296359739.db2.gz RWEMBPMGEGAKNW-LERXQTSPSA-N 2 0 321.446 2.553 20 0 DFADRP CCCCNC(=O)c1ccc(C[NH2+][C@H]2CCCC[C@H]2C[NH3+])cc1 ZINC000422944718 296358847 /nfs/dbraw/zinc/35/88/47/296358847.db2.gz SLEXZVRKZMWEHV-ROUUACIJSA-N 2 0 317.477 2.824 20 0 DFADRP c1cc(C[NH+]2CCSCC2)cc(N[C@@H]2CCC[NH2+]CC2)c1 ZINC000422957375 296360603 /nfs/dbraw/zinc/36/06/03/296360603.db2.gz SZSJZLRIBGWZDK-MRXNPFEDSA-N 2 0 305.491 2.789 20 0 DFADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]CCOc1ccc(F)c(F)c1 ZINC000422956790 296360716 /nfs/dbraw/zinc/36/07/16/296360716.db2.gz LYUMUOYCXYFMGJ-NSHDSACASA-N 2 0 321.371 2.857 20 0 DFADRP C[C@H]([NH2+]CCc1nc(-c2ccc(Cl)cc2)no1)[C@H]1CC[NH2+]C1 ZINC000422958761 296360976 /nfs/dbraw/zinc/36/09/76/296360976.db2.gz PUXHBUNXXGPGMR-AAEUAGOBSA-N 2 0 320.824 2.520 20 0 DFADRP C[C@@H]1C[N@@H+](Cc2cccc(N[C@@H]3C[NH2+]CC[C@@H]3C)c2)C[C@H](C)O1 ZINC000422953572 296360335 /nfs/dbraw/zinc/36/03/35/296360335.db2.gz FRDBSZJMPRUREQ-YIOZNXECSA-N 2 0 317.477 2.706 20 0 DFADRP CCC(C)(C)[NH2+][C@H](C)C(=O)NCCCC[N@@H+]1CCCC[C@H]1C ZINC000347518644 285070215 /nfs/dbraw/zinc/07/02/15/285070215.db2.gz IRWYKZXVTUKQFA-HZPDHXFCSA-N 2 0 311.514 2.924 20 0 DFADRP CCC(C)(C)[NH2+][C@H](C)C(=O)NCCCC[N@@H+]1CCCC[C@@H]1C ZINC000347518645 285070236 /nfs/dbraw/zinc/07/02/36/285070236.db2.gz IRWYKZXVTUKQFA-JKSUJKDBSA-N 2 0 311.514 2.924 20 0 DFADRP Brc1cccc(NCC[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC000422961449 296361461 /nfs/dbraw/zinc/36/14/61/296361461.db2.gz CBAASXLYTVGKIF-YIONKMFJSA-N 2 0 324.266 2.734 20 0 DFADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]C[C@H](c1ccccc1)C(C)(C)CO ZINC000422962624 296361677 /nfs/dbraw/zinc/36/16/77/296361677.db2.gz CXNLHWFNPGAYPP-KBAYOESNSA-N 2 0 304.478 2.766 20 0 DFADRP OCc1ccc(C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)cc1F ZINC000422962900 296361788 /nfs/dbraw/zinc/36/17/88/296361788.db2.gz GZRFQMXGVUTVTG-CGTJXYLNSA-N 2 0 306.425 2.718 20 0 DFADRP COCCNc1ccc(C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)cc1 ZINC000422968874 296362761 /nfs/dbraw/zinc/36/27/61/296362761.db2.gz SJTFKWJWFFGYRQ-IPMKNSEASA-N 2 0 317.477 2.755 20 0 DFADRP Cc1nn(-c2ccccc2)cc1CCC[NH2+][C@H](C)C[C@H](C)[NH3+] ZINC000422968082 296362400 /nfs/dbraw/zinc/36/24/00/296362400.db2.gz VLZRIXHXKRKNOM-LSDHHAIUSA-N 2 0 300.450 2.829 20 0 DFADRP C[C@@H](CCC[NH3+])[NH2+]CCc1nc(-c2cccc(Cl)c2)no1 ZINC000422977801 296363608 /nfs/dbraw/zinc/36/36/08/296363608.db2.gz GGMHLENJFVKDBJ-NSHDSACASA-N 2 0 308.813 2.650 20 0 DFADRP Cc1nc(C[NH3+])ccc1[C@H](C)NC1CC[NH+](C(C)(C)C)CC1 ZINC000422996759 296365203 /nfs/dbraw/zinc/36/52/03/296365203.db2.gz UHVQCMDPLMECBD-ZDUSSCGKSA-N 2 0 304.482 2.762 20 0 DFADRP C[C@H](CCCC[NH3+])[NH2+]CCOc1ccc(C(F)(F)F)cn1 ZINC000422990244 296364529 /nfs/dbraw/zinc/36/45/29/296364529.db2.gz MZBKKPSOSNDSQH-LLVKDONJSA-N 2 0 305.344 2.586 20 0 DFADRP C[C@H](CCC[NH3+])[NH2+]C[C@@H](CO)Cc1ccc(C(F)(F)F)cc1 ZINC000422989414 296364745 /nfs/dbraw/zinc/36/47/45/296364745.db2.gz LMXDHKAYIXOWMS-OCCSQVGLSA-N 2 0 318.383 2.573 20 0 DFADRP CC[NH+](CC)Cc1ccccc1C[NH2+]Cc1cnn(C)c1C ZINC000270168316 208233338 /nfs/dbraw/zinc/23/33/38/208233338.db2.gz CCFNJFVQORESOB-UHFFFAOYSA-N 2 0 300.450 2.860 20 0 DFADRP C[C@@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]CC1(CCO)CCCCC1 ZINC000423001535 296365900 /nfs/dbraw/zinc/36/59/00/296365900.db2.gz DVJAYUCWECDAKK-AEFFLSMTSA-N 2 0 304.478 2.867 20 0 DFADRP C[C@@H]([NH3+])C[C@@H](C)[NH2+]Cc1cccc(COCC(F)(F)F)c1 ZINC000423004405 296366096 /nfs/dbraw/zinc/36/60/96/296366096.db2.gz OXEDTOYVGZYURW-VXGBXAGGSA-N 2 0 304.356 2.981 20 0 DFADRP C[C@@H]1C[C@H](C[NH2+][C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)CCO1 ZINC000422996635 296365303 /nfs/dbraw/zinc/36/53/03/296365303.db2.gz UEEOTCFBMHNRLV-RRIFGTCXSA-N 2 0 316.445 2.647 20 0 DFADRP CCC1(C[NH2+][C@H]2CC[NH2+]C2)CC[NH+](Cc2ccccc2)CC1 ZINC000422999705 296365671 /nfs/dbraw/zinc/36/56/71/296365671.db2.gz FRVIWLPONMVIOW-SFHVURJKSA-N 2 0 301.478 2.630 20 0 DFADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+][C@@H]1CCCN(c2ccccc2F)C1 ZINC000423008589 296367231 /nfs/dbraw/zinc/36/72/31/296367231.db2.gz AMMRMXDSJZUZBD-BFYDXBDKSA-N 2 0 305.441 2.772 20 0 DFADRP COC[C@H](CCC[NH3+])[NH2+][C@H]1CCO[C@H]1c1ccc(Cl)cc1 ZINC000423012478 296367295 /nfs/dbraw/zinc/36/72/95/296367295.db2.gz DEBNXJJZEGFTKX-JYJNAYRXSA-N 2 0 312.841 2.514 20 0 DFADRP Cc1ccc([C@H](Cn2ccnc2)[NH2+][C@H]2CCC[NH2+]CC2)c(C)c1 ZINC000423006530 296366764 /nfs/dbraw/zinc/36/67/64/296366764.db2.gz VRGJDMOKFASFBJ-HKUYNNGSSA-N 2 0 312.461 2.973 20 0 DFADRP C[N@H+](Cc1ccco1)Cc1ccccc1CN[C@@H]1CCC[C@H]1[NH3+] ZINC000423009391 296366948 /nfs/dbraw/zinc/36/69/48/296366948.db2.gz VLIDSSYPPVABKL-RTBURBONSA-N 2 0 313.445 2.881 20 0 DFADRP Cc1nn(C)c(C)c1CCC[NH2+][C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1 ZINC000423015187 296367635 /nfs/dbraw/zinc/36/76/35/296367635.db2.gz KEQNMYYOUILKHT-IPMKNSEASA-N 2 0 318.509 2.870 20 0 DFADRP C[C@H](C[NH2+][C@@H]1CCCC[C@@H]1C[NH3+])c1nc(-c2ccccc2)no1 ZINC000423014036 296367829 /nfs/dbraw/zinc/36/78/29/296367829.db2.gz NXDUQVMZOBXECP-FVQBIDKESA-N 2 0 314.433 2.947 20 0 DFADRP CC(C)C[C@H]([NH2+][C@H](C)CCCC[NH3+])C(=O)Nc1nccs1 ZINC000423014135 296367864 /nfs/dbraw/zinc/36/78/64/296367864.db2.gz HJTXGXXVPBIEQO-OLZOCXBDSA-N 2 0 312.483 2.603 20 0 DFADRP CC(C)(C)[NH+]1CCC([NH2+]C[C@@H]2Cc3ccccc3CO2)CC1 ZINC000624054984 399536555 /nfs/dbraw/zinc/53/65/55/399536555.db2.gz STXANEZKJZMGJE-SFHVURJKSA-N 2 0 302.462 2.980 20 0 DFADRP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1[NH2+]C[C@]1(C)CCCc2ccccc21 ZINC000423017318 296368248 /nfs/dbraw/zinc/36/82/48/296368248.db2.gz OLRFADCABPRXNN-CBVHJVASSA-N 2 0 302.462 2.623 20 0 DFADRP COC[C@H](CCC[NH3+])[NH2+][C@@H]1CCO[C@H]1c1ccc(Cl)cc1 ZINC000423012479 296367406 /nfs/dbraw/zinc/36/74/06/296367406.db2.gz DEBNXJJZEGFTKX-XHSDSOJGSA-N 2 0 312.841 2.514 20 0 DFADRP CO[C@@H]1CCC[C@@H]1C[NH2+][C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423013114 296367571 /nfs/dbraw/zinc/36/75/71/296367571.db2.gz FEABDJAVCHTBMF-MYZZLAAOSA-N 2 0 316.445 2.647 20 0 DFADRP C[C@H](CCCC[NH3+])[NH2+][C@@H]1CCN(C)[C@H]1c1ccc(F)c(F)c1 ZINC000423023123 296369044 /nfs/dbraw/zinc/36/90/44/296369044.db2.gz JANDKHQEHQELAF-JLZZUVOBSA-N 2 0 311.420 2.817 20 0 DFADRP COc1ccc(C[C@H](C)C[NH2+][C@H]2CC[NH2+]CC[C@H]2C)cc1OC ZINC000423026631 296369192 /nfs/dbraw/zinc/36/91/92/296369192.db2.gz QKGFMHJBBBSMBT-UXLLHSPISA-N 2 0 320.477 2.860 20 0 DFADRP COc1ccccc1OC[C@H](C)C[NH2+][C@H]1CCCC[C@@H]1C[NH3+] ZINC000423025898 296369334 /nfs/dbraw/zinc/36/93/34/296369334.db2.gz PKWKVYHLLRJMAS-OAGGEKHMSA-N 2 0 306.450 2.817 20 0 DFADRP CN1CC[C@@H]([NH2+]C2CCC(C[NH3+])CC2)[C@@H]1c1ccc(F)c(F)c1 ZINC000423024513 296369400 /nfs/dbraw/zinc/36/94/00/296369400.db2.gz LUHDDEGHMAXTMF-VQHUDLGKSA-N 2 0 323.431 2.817 20 0 DFADRP CN1CC[C@H]([NH2+]C2CC[NH2+]CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000423018352 296368462 /nfs/dbraw/zinc/36/84/62/296368462.db2.gz YQLMLWBUWIMYGN-JKSUJKDBSA-N 2 0 311.832 2.566 20 0 DFADRP C[C@H]([NH2+][C@@H]1CCN(c2ccc(Cl)c(F)c2)C1)[C@@H]1CC[NH2+]C1 ZINC000423020670 296368604 /nfs/dbraw/zinc/36/86/04/296368604.db2.gz CNKPYQRBVZAKLQ-YNEHKIRRSA-N 2 0 311.832 2.645 20 0 DFADRP COc1ccc([C@@H](OC)[C@H](C)[NH2+]C2CCC(C[NH3+])CC2)cc1 ZINC000423019129 296368611 /nfs/dbraw/zinc/36/86/11/296368611.db2.gz UCXGLJQHHAFVBY-UESGHJTASA-N 2 0 306.450 2.878 20 0 DFADRP COc1ccccc1OC[C@H](C)C[NH2+][C@@H]1CCCCC[C@H]1[NH3+] ZINC000423022033 296368850 /nfs/dbraw/zinc/36/88/50/296368850.db2.gz GVGRDCKBIFXQRM-BZUAXINKSA-N 2 0 306.450 2.960 20 0 DFADRP CC[N@H+](Cc1ccc(C(=O)N2C[C@@H](C[NH3+])C[C@@H]2C)cc1)C(C)C ZINC000261889905 285098505 /nfs/dbraw/zinc/09/85/05/285098505.db2.gz VGGJSYLFWUPEID-DOTOQJQBSA-N 2 0 317.477 2.726 20 0 DFADRP COc1ccc(C[C@H](C)C[NH2+][C@@H](C)[C@H]2CCC[NH2+]2)cc1OC ZINC000423033974 296370262 /nfs/dbraw/zinc/37/02/62/296370262.db2.gz ZZAJLVHHMQCWAU-OFQRWUPVSA-N 2 0 306.450 2.613 20 0 DFADRP CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)C[N@H+](CC)C1CC1 ZINC000152059039 285098997 /nfs/dbraw/zinc/09/89/97/285098997.db2.gz CAKVGTYLZTUBQF-UHFFFAOYSA-N 2 0 317.477 2.581 20 0 DFADRP COc1ccc(C[C@@H](C)C[NH2+]C2CCC(C[NH3+])CC2)cc1OC ZINC000423027605 296369607 /nfs/dbraw/zinc/36/96/07/296369607.db2.gz RPIWKTYIUYCQGM-HPUBIQBYSA-N 2 0 320.477 2.990 20 0 DFADRP CCC[NH+](CCC)CCCC(=O)Nc1ccc(OCC[NH3+])cc1 ZINC000273090822 210469044 /nfs/dbraw/zinc/46/90/44/210469044.db2.gz ZXYCXNKERUYODC-UHFFFAOYSA-N 2 0 321.465 2.865 20 0 DFADRP C[C@H]([NH2+]CCOCc1ccc(Cl)cc1Cl)C1C[NH2+]C1 ZINC000423030564 296369900 /nfs/dbraw/zinc/36/99/00/296369900.db2.gz TWYOXOUHMDFYTH-JTQLQIEISA-N 2 0 303.233 2.708 20 0 DFADRP Cc1nc(C[NH3+])ccc1[C@@H](C)NCC[C@@H](C)[NH+]1CCCCC1 ZINC000423030873 296370036 /nfs/dbraw/zinc/37/00/36/296370036.db2.gz KBDRUYCQQUKJHD-HUUCEWRRSA-N 2 0 304.482 2.764 20 0 DFADRP COC[C@H](CCC[NH3+])[NH2+][C@H](c1cccc(F)c1)c1ccccn1 ZINC000423032210 296370063 /nfs/dbraw/zinc/37/00/63/296370063.db2.gz XWDVXEYRMUWDCV-FUHWJXTLSA-N 2 0 317.408 2.654 20 0 DFADRP [NH3+][C@H]1CCC[C@H]1[NH2+]CCc1c[nH]c2ccc(Br)cc12 ZINC000423037679 296370692 /nfs/dbraw/zinc/37/06/92/296370692.db2.gz WOPSFTKTASGQFV-DZGCQCFKSA-N 2 0 322.250 2.942 20 0 DFADRP Cc1nn(CC(F)(F)F)c(C)c1[C@@H](C)[NH2+]C1CCC([NH3+])CC1 ZINC000423040823 296370983 /nfs/dbraw/zinc/37/09/83/296370983.db2.gz IASWUYVBYNSCLJ-UHEGKEBESA-N 2 0 318.387 2.983 20 0 DFADRP CCC[N@H+](C)CC(C)(C)NC(=O)[C@H]1CC[NH+](C2CCCCC2)C1 ZINC000620622987 399546984 /nfs/dbraw/zinc/54/69/84/399546984.db2.gz CQGAQFLGTBMIOQ-INIZCTEOSA-N 2 0 323.525 2.878 20 0 DFADRP CCC[N@H+](C)CC(C)(C)NC(=O)[C@H](C)[NH+](C)Cc1ccccc1 ZINC000620624295 399546457 /nfs/dbraw/zinc/54/64/57/399546457.db2.gz UUGVJPHSGCODEG-INIZCTEOSA-N 2 0 319.493 2.744 20 0 DFADRP Cc1oc2ccccc2c1CC[NH2+][C@@H]1CCOC[C@H]1[C@@H](C)[NH3+] ZINC000423050066 296371969 /nfs/dbraw/zinc/37/19/69/296371969.db2.gz LFCVISXZNPRDMM-OAUYIBNBSA-N 2 0 302.418 2.626 20 0 DFADRP CC[C@H]([NH2+]C[C@H]1Cc2ccccc2N(C)C1)[C@H]1CCCC[NH2+]1 ZINC000423054905 296372653 /nfs/dbraw/zinc/37/26/53/296372653.db2.gz CFZAVZBNNOGKIU-BPQIPLTHSA-N 2 0 301.478 2.805 20 0 DFADRP OC[C@H](N[C@H]1CC[NH2+][C@H](c2ccccc2)C1)c1ccsc1 ZINC000423056089 296372813 /nfs/dbraw/zinc/37/28/13/296372813.db2.gz XARSMNYTPOWTDA-ULQDDVLXSA-N 2 0 302.443 2.864 20 0 DFADRP C[C@@H](CCCC[NH3+])[NH2+][C@H](c1cnn(C)c1)c1ccc(F)cc1 ZINC000423057725 296373315 /nfs/dbraw/zinc/37/33/15/296373315.db2.gz ZUIGLKSOBGDCEP-GUYCJALGSA-N 2 0 304.413 2.756 20 0 DFADRP CCOC(=O)C1([C@H](C)[NH2+][C@@H]2CCC[C@@H](C)CC2)CC[NH2+]CC1 ZINC000423057393 296373364 /nfs/dbraw/zinc/37/33/64/296373364.db2.gz HJKCBIMSOOCIQR-OWCLPIDISA-N 2 0 310.482 2.866 20 0 DFADRP [NH3+]C[C@H]1CCCC[C@H]1[NH2+]CCN1CCc2c(Cl)cccc2C1 ZINC000423061455 296373559 /nfs/dbraw/zinc/37/35/59/296373559.db2.gz QRTKWRCJVAGRKC-RDTXWAMCSA-N 2 0 321.896 2.805 20 0 DFADRP C[C@@H]1CC[NH2+]CC[C@@H]1NC[C@@H](C1CC1)[N@H+](C)Cc1ccccc1 ZINC000423066571 296374285 /nfs/dbraw/zinc/37/42/85/296374285.db2.gz XDXHBBQNLHIJDC-UXPWSPDFSA-N 2 0 315.505 2.875 20 0 DFADRP COCCC1(C[NH2+][C@@H]2CCOC[C@H]2[C@H]2CCC[NH2+]2)CCCCC1 ZINC000423065567 296374331 /nfs/dbraw/zinc/37/43/31/296374331.db2.gz UUMXDYOZBTWOML-RCCFBDPRSA-N 2 0 324.509 2.720 20 0 DFADRP C[C@H]([NH2+]Cc1ccnc(N2CC[NH+](C)CC2)c1)c1cccs1 ZINC000159155087 197331058 /nfs/dbraw/zinc/33/10/58/197331058.db2.gz UKPLCLZXHCLTCC-AWEZNQCLSA-N 2 0 316.474 2.746 20 0 DFADRP CC[NH+]1CCC([NH2+]CCc2nc(-c3ccccn3)cs2)CC1 ZINC000271661268 209105232 /nfs/dbraw/zinc/10/52/32/209105232.db2.gz DJUSLARQUSETCJ-UHFFFAOYSA-N 2 0 316.474 2.822 20 0 DFADRP FC(F)(F)c1ccccc1N1CC[C@@H]([NH2+]C2CC[NH2+]CC2)C1 ZINC000423067343 296374598 /nfs/dbraw/zinc/37/45/98/296374598.db2.gz ZCEKYWPYOYERPX-CYBMUJFWSA-N 2 0 313.367 2.626 20 0 DFADRP C[C@H]([NH3+])[C@H](Cc1ccccc1)NCC(C)(C)C[NH+]1CCCC1 ZINC000423071406 296374857 /nfs/dbraw/zinc/37/48/57/296374857.db2.gz HTVXNLGOTLHSJL-WMZOPIPTSA-N 2 0 303.494 2.657 20 0 DFADRP C[NH+]1CCN(c2cc(C[NH2+][C@@H]3CCc4ccccc43)ccn2)CC1 ZINC000159143383 197330234 /nfs/dbraw/zinc/33/02/34/197330234.db2.gz XYVBHIPIYWHDEM-LJQANCHMSA-N 2 0 322.456 2.611 20 0 DFADRP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+][C@@H](CO)Cc1ccc(F)cc1 ZINC000423083074 296376244 /nfs/dbraw/zinc/37/62/44/296376244.db2.gz YEVOXPXXXUHBGI-ZTFGCOKTSA-N 2 0 308.441 2.630 20 0 DFADRP CC(C)[C@H]([NH2+][C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)C(C)(C)O ZINC000423078243 296375487 /nfs/dbraw/zinc/37/54/87/296375487.db2.gz NYGVLXBRVQVICD-AYBZRNKSSA-N 2 0 318.461 2.627 20 0 DFADRP C[C@@H](NC[C@@H]1CC[N@H+](Cc2ccccc2)C1)[C@@H]1CCCC[NH2+]1 ZINC000423089822 296377250 /nfs/dbraw/zinc/37/72/50/296377250.db2.gz WCWHXBCZNOWNRV-NEWSRXKRSA-N 2 0 301.478 2.629 20 0 DFADRP C[C@H]1CC[NH2+]CC[C@H]1[NH2+]CC1CCN(c2ccccc2)CC1 ZINC000423091316 296376955 /nfs/dbraw/zinc/37/69/55/296376955.db2.gz ZWHQEIFKDRZZSH-QFBILLFUSA-N 2 0 301.478 2.881 20 0 DFADRP [NH3+]CC1CCC([NH2+]C[C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000423083736 296376418 /nfs/dbraw/zinc/37/64/18/296376418.db2.gz GOJVOASIMYKOEG-CUYAVPTFSA-N 2 0 301.478 2.616 20 0 DFADRP c1ccc([C@@H]2C[C@@H]([NH2+]CC3CC[NH+](C4CC4)CC3)CCN2)cc1 ZINC000423083755 296376465 /nfs/dbraw/zinc/37/64/65/296376465.db2.gz GTGIWSHEFGPNGI-ICSRJNTNSA-N 2 0 313.489 2.944 20 0 DFADRP C[C@H]([NH3+])[C@H]1COCC[C@H]1[NH2+][C@H]1C[C@H](c2ccc(Cl)cc2)C1 ZINC000423095649 296377849 /nfs/dbraw/zinc/37/78/49/296377849.db2.gz MUVAVHKRGFQHIY-LKPRIIMKSA-N 2 0 308.853 2.928 20 0 DFADRP Fc1cccc([C@H]2C[C@H]([NH2+][C@@H]3CCOC[C@@H]3[C@H]3CCC[NH2+]3)C2)c1 ZINC000423096472 296377911 /nfs/dbraw/zinc/37/79/11/296377911.db2.gz OXVNAFMOVOJBNV-WSIUPNEHSA-N 2 0 318.436 2.818 20 0 DFADRP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1[NH2+][C@@H]1CC[C@H](c2ccccc2F)C1 ZINC000423092473 296377704 /nfs/dbraw/zinc/37/77/04/296377704.db2.gz BZKHGYQLDZFMEU-FEZYCPBGSA-N 2 0 306.425 2.804 20 0 DFADRP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1[NH2+]CCn1ccc2cc(Cl)ccc21 ZINC000423098657 296378188 /nfs/dbraw/zinc/37/81/88/296378188.db2.gz DDOFYAGFVLCRLL-RCBQFDQVSA-N 2 0 321.852 2.637 20 0 DFADRP C[C@H]([NH2+][C@@H](c1cncc(Br)c1)C1CC1)[C@H]1CC[NH2+]C1 ZINC000423104388 296378503 /nfs/dbraw/zinc/37/85/03/296378503.db2.gz MBWRKKBQBDVGBH-ITDIGPHOSA-N 2 0 324.266 2.883 20 0 DFADRP CCOC(=O)C1([C@H](C)[NH2+]CC2C(C)(C)C2(C)C)CC[NH2+]CC1 ZINC000423101230 296378593 /nfs/dbraw/zinc/37/85/93/296378593.db2.gz VQJBOUNCIKPTQM-ZDUSSCGKSA-N 2 0 310.482 2.580 20 0 DFADRP C[C@@H]([NH2+]C[C@@H]1CCCC[N@H+](C)C1)c1ccc2c(c1)OCCO2 ZINC000624119717 399559319 /nfs/dbraw/zinc/55/93/19/399559319.db2.gz HZKHECUYCYRDQE-CABCVRRESA-N 2 0 304.434 2.840 20 0 DFADRP C[C@H]([NH2+][C@H]1CCC[C@H]1Oc1cc(F)cc(F)c1)[C@H]1CC[NH2+]C1 ZINC000423109420 296379301 /nfs/dbraw/zinc/37/93/01/296379301.db2.gz NRXHGCWAWFNFEM-MWDDYTRKSA-N 2 0 310.388 2.852 20 0 DFADRP COCCCOc1ccc(C[NH2+][C@H]2CC[NH2+]CC[C@@H]2C)cc1 ZINC000423107066 296378919 /nfs/dbraw/zinc/37/89/19/296378919.db2.gz PFDHNNJHKQNEKW-YJBOKZPZSA-N 2 0 306.450 2.580 20 0 DFADRP C[N@@H+]1CCCC[C@@H](CN[C@H](c2ccccc2)c2cncnc2)C1 ZINC000624122704 399560609 /nfs/dbraw/zinc/56/06/09/399560609.db2.gz ZAZRCPKRHKSNJQ-QFBILLFUSA-N 2 0 310.445 2.888 20 0 DFADRP C[C@H](CCC[NH3+])[NH2+]Cc1cc(F)c(F)cc1Br ZINC000423111239 296379572 /nfs/dbraw/zinc/37/95/72/296379572.db2.gz QJGOJQIXLIFGRJ-MRVPVSSYSA-N 2 0 307.182 2.944 20 0 DFADRP C[C@H]([NH2+]C(C)(C)CNC(=O)[C@]1(C)CCC[NH2+]C1)c1ccccc1 ZINC000120246976 195127339 /nfs/dbraw/zinc/12/73/39/195127339.db2.gz AASAJTOLXNMLJU-HNAYVOBHSA-N 2 0 317.477 2.622 20 0 DFADRP CCC[N@@H+]1CCC[C@H]1CN[C@H]1CC[NH2+][C@@H](c2ccccc2)C1 ZINC000423112935 296380013 /nfs/dbraw/zinc/38/00/13/296380013.db2.gz SVQCTXDVZOTIMN-GBESFXJTSA-N 2 0 301.478 2.944 20 0 DFADRP CSCc1ccc(C[NH2+][C@@H]2CCOC[C@@H]2[C@H]2CCC[NH2+]2)cc1 ZINC000423112599 296380115 /nfs/dbraw/zinc/38/01/15/296380115.db2.gz SEVQPTWKGSCIRM-KZNAEPCWSA-N 2 0 320.502 2.796 20 0 DFADRP C[C@@H](C[C@H]1COCCN1)[NH2+]CCCc1c[nH]c2ccc(F)cc12 ZINC000423118206 296380728 /nfs/dbraw/zinc/38/07/28/296380728.db2.gz ZICBYAORUBVJDH-BBRMVZONSA-N 2 0 319.424 2.596 20 0 DFADRP COC[C@H](CCC[NH3+])[NH2+]CCCc1c[nH]c2ccc(F)cc12 ZINC000423118032 296380833 /nfs/dbraw/zinc/38/08/33/296380833.db2.gz YLNULIBGMRZJHN-HNNXBMFYSA-N 2 0 307.413 2.583 20 0 DFADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]CCc1nnc(C(C)C)s1 ZINC000423123153 296381345 /nfs/dbraw/zinc/38/13/45/296381345.db2.gz DHYIWOKVLVMNTK-NSHDSACASA-N 2 0 319.478 2.717 20 0 DFADRP CC(C)Oc1ccc([C@H](C[NH2+][C@H](C)[C@@H]2CC[NH2+]C2)N(C)C)cc1 ZINC000423131882 296382343 /nfs/dbraw/zinc/38/23/43/296382343.db2.gz TVOFSMKCJRLXRM-SUMDDJOVSA-N 2 0 319.493 2.664 20 0 DFADRP C[C@H]([NH2+]C[C@@H](Cc1ccccc1)C(F)(F)F)[C@H]1CC[NH2+]C1 ZINC000423127756 296381778 /nfs/dbraw/zinc/38/17/78/296381778.db2.gz UPRGXMAFUWOYSX-AEGPPILISA-N 2 0 300.368 2.995 20 0 DFADRP CCc1ccc([C@H](CN[C@@H](C)C2C[NH2+]C2)[NH+](CC)CC)cc1 ZINC000423127195 296382026 /nfs/dbraw/zinc/38/20/26/296382026.db2.gz JQPAONCUHCSHNY-KXBFYZLASA-N 2 0 303.494 2.829 20 0 DFADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]Cc1ccc(OC(F)F)c(F)c1 ZINC000423133010 296382597 /nfs/dbraw/zinc/38/25/97/296382597.db2.gz JVOTXRXRXNXBSA-ZWNOBZJWSA-N 2 0 302.340 2.905 20 0 DFADRP C[C@@H]1[C@H]([NH2+]C2CCC(C[NH3+])CC2)CCN1Cc1ccccc1 ZINC000423132381 296382725 /nfs/dbraw/zinc/38/27/25/296382725.db2.gz UMJRMKIUIZMTAS-JVGQSUMCSA-N 2 0 301.478 2.757 20 0 DFADRP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccc(-n2cccn2)c(F)c1 ZINC000423132283 296382769 /nfs/dbraw/zinc/38/27/69/296382769.db2.gz IXJUWHIACGZPSF-NTQSIJHJSA-N 2 0 314.408 2.945 20 0 DFADRP C[C@@H]([NH3+])C[C@H](C)[NH2+]CCc1cnc(SC2CCCC2)nc1 ZINC000423137280 296383027 /nfs/dbraw/zinc/38/30/27/296383027.db2.gz QNIXLYXPJKHOOB-OLZOCXBDSA-N 2 0 308.495 2.769 20 0 DFADRP C[C@H](C[C@H](C)[NH3+])[NH2+]CCc1cnc(SC2CCCC2)nc1 ZINC000423137281 296383204 /nfs/dbraw/zinc/38/32/04/296383204.db2.gz QNIXLYXPJKHOOB-QWHCGFSZSA-N 2 0 308.495 2.769 20 0 DFADRP Cc1cccc([C@@H](C)[NH2+]Cc2cccnc2N2CC[NH+](C)CC2)c1 ZINC000158534094 197281936 /nfs/dbraw/zinc/28/19/36/197281936.db2.gz MTJPZZWLMYROGI-QGZVFWFLSA-N 2 0 324.472 2.993 20 0 DFADRP C[C@@]1(C[NH2+][C@@H]2CCOC[C@@H]2[C@H]2CCC[NH2+]2)C[C@H]1c1ccccc1 ZINC000423139005 296383318 /nfs/dbraw/zinc/38/33/18/296383318.db2.gz UUSFCPAMEGEEDC-IVDHNXQLSA-N 2 0 314.473 2.927 20 0 DFADRP C[C@H]([NH2+]C[C@H]1CCN(c2ccccc2F)C1)[C@@H]1CCCC[NH2+]1 ZINC000423141531 296383836 /nfs/dbraw/zinc/38/38/36/296383836.db2.gz QNDWSPFOMCIQQP-UXLLHSPISA-N 2 0 305.441 2.772 20 0 DFADRP COc1ncccc1CC[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1 ZINC000423141809 296384006 /nfs/dbraw/zinc/38/40/06/296384006.db2.gz RWEZYPVAMYOUPQ-YESZJQIVSA-N 2 0 303.450 2.533 20 0 DFADRP C[C@H]1CC[NH2+]C[C@H]1NCCc1cnc(SC2CCCC2)nc1 ZINC000423137824 296383473 /nfs/dbraw/zinc/38/34/73/296383473.db2.gz RTTJLKXHFSRBKI-XJKSGUPXSA-N 2 0 320.506 2.641 20 0 DFADRP CCOC(=O)C1([C@@H](C)[NH2+]CCC(C)(C)C2CC2)CC[NH2+]CC1 ZINC000423138770 296383551 /nfs/dbraw/zinc/38/35/51/296383551.db2.gz UAPFZVKWROAPHF-CQSZACIVSA-N 2 0 310.482 2.724 20 0 DFADRP C[C@@H]([NH2+]Cc1ccn(C)c1)c1cccc(OCC[NH+](C)C)c1 ZINC000158495350 197278883 /nfs/dbraw/zinc/27/88/83/197278883.db2.gz NGCBTOHYPDMLMW-OAHLLOKOSA-N 2 0 301.434 2.816 20 0 DFADRP CC[NH+](CC)[C@@H](CNC(=O)C[N@H+]1[C@H](C)CC[C@@H]1C)c1ccco1 ZINC000120277314 195133924 /nfs/dbraw/zinc/13/39/24/195133924.db2.gz AAEGHVCPKCWXTK-XHSDSOJGSA-N 2 0 321.465 2.652 20 0 DFADRP C[C@H]([NH3+])[C@H]1COCC[C@@H]1[NH2+][C@H]1C[C@H](c2ccccc2Cl)C1 ZINC000423145845 296384814 /nfs/dbraw/zinc/38/48/14/296384814.db2.gz MUULHQCFUXSQBI-WVXQGFRLSA-N 2 0 308.853 2.928 20 0 DFADRP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1[NH2+][C@@H]1CCCc2c(F)cc(F)cc21 ZINC000423146681 296384826 /nfs/dbraw/zinc/38/48/26/296384826.db2.gz PYBPKVBHTHJHRV-ZQEPISKBSA-N 2 0 310.388 2.684 20 0 DFADRP CO[C@@H](C[NH2+][C@@H](C)c1ccc(C[NH3+])nc1C)Cc1ccccc1 ZINC000423157022 296386308 /nfs/dbraw/zinc/38/63/08/296386308.db2.gz MEZOUAHLFJKKDC-KBXCAEBGSA-N 2 0 313.445 2.757 20 0 DFADRP c1ccc([C@@H]2C[C@H]([N@@H+]3CCC[C@@]4(CCOC4)C3)CCN2)cc1 ZINC000423154827 296385781 /nfs/dbraw/zinc/38/57/81/296385781.db2.gz KBGAGFSDRBKLTE-CEXWTWQISA-N 2 0 300.446 2.982 20 0 DFADRP CC[C@@H]([NH2+][C@@H]1CCO[C@@H](c2ccccn2)C1)[C@H]1CCCC[NH2+]1 ZINC000423161367 296386801 /nfs/dbraw/zinc/38/68/01/296386801.db2.gz NOUDUOYDYXRWBE-YFHUEUNASA-N 2 0 303.450 2.812 20 0 DFADRP C[C@H]([NH3+])C[C@H](C)[NH2+][C@@H](CCO)c1cccc(C(F)(F)F)c1 ZINC000423161445 296386835 /nfs/dbraw/zinc/38/68/35/296386835.db2.gz RUQWAXRZJQGNMA-MJVIPROJSA-N 2 0 304.356 2.844 20 0 DFADRP COC1CCC([NH2+][C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)CC1 ZINC000423165581 296387276 /nfs/dbraw/zinc/38/72/76/296387276.db2.gz BDPOIFCROHRHSY-WNQHEHQFSA-N 2 0 316.445 2.790 20 0 DFADRP COC[C@@H](CCC[NH3+])[NH2+]Cc1ccc(Br)c(C)c1 ZINC000423161318 296386551 /nfs/dbraw/zinc/38/65/51/296386551.db2.gz IVEYFHJLKAXZBY-CYBMUJFWSA-N 2 0 315.255 2.601 20 0 DFADRP CO[C@H]1c2ccccc2C[C@H]1[NH2+][C@@H](C)c1ccc(C[NH3+])nc1C ZINC000423169456 296387671 /nfs/dbraw/zinc/38/76/71/296387671.db2.gz JYNORXMUPCLIOE-BKTGTZMESA-N 2 0 311.429 2.812 20 0 DFADRP COc1cccc2c1C[C@H]([NH2+][C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1)C2 ZINC000423173663 296388043 /nfs/dbraw/zinc/38/80/43/296388043.db2.gz ZPHBRWMIPAHEOY-MXSMSXNCSA-N 2 0 300.446 2.673 20 0 DFADRP Fc1ccc([C@H]([NH2+]CCCN2CC[NH2+]CC2)C2CCCC2)cc1 ZINC000423182420 296389177 /nfs/dbraw/zinc/38/91/77/296389177.db2.gz KHCJOQGLWMSDMA-LJQANCHMSA-N 2 0 319.468 2.942 20 0 DFADRP Cc1cc2cc([C@H](C)[NH2+]CCCN3CC[NH2+]CC3)oc2cc1C ZINC000423178120 296388533 /nfs/dbraw/zinc/38/85/33/296388533.db2.gz KEODRPDKKPYNNE-INIZCTEOSA-N 2 0 315.461 2.996 20 0 DFADRP C[C@H]([NH2+]CCCN1CC[NH2+]CC1)c1ccc2c(c1)CCCC2 ZINC000423177675 296388570 /nfs/dbraw/zinc/38/85/70/296388570.db2.gz JJVBOANSGTZYCA-INIZCTEOSA-N 2 0 301.478 2.511 20 0 DFADRP CC(C)(C)[N@@H+]1CC[C@@H]1CNC(=O)[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC000617011490 399573026 /nfs/dbraw/zinc/57/30/26/399573026.db2.gz GDZFNAVRBMOYQZ-NVXWUHKLSA-N 2 0 321.509 2.630 20 0 DFADRP C[C@H](COc1ccc2cc(Br)ccc2c1)NCC[NH3+] ZINC000423182982 296389235 /nfs/dbraw/zinc/38/92/35/296389235.db2.gz MFNCWMLBEGPIER-LLVKDONJSA-N 2 0 323.234 2.918 20 0 DFADRP C[C@H]([NH2+]CCCN1CC[NH2+]CC1)c1ccc(-c2ccncc2)cc1 ZINC000423185711 296389666 /nfs/dbraw/zinc/38/96/66/296389666.db2.gz VWTDJLYJFNRPRM-KRWDZBQOSA-N 2 0 324.472 2.695 20 0 DFADRP CC[N@@H+]1CC[C@@H]([NH+](C)CCOc2cccc(OC)c2)[C@H](C)C1 ZINC000157673858 197207091 /nfs/dbraw/zinc/20/70/91/197207091.db2.gz OXVBAWACOXRAQW-CRAIPNDOSA-N 2 0 306.450 2.736 20 0 DFADRP CCOC(=O)[C@H]1CC[C@@H]([NH2+]C2CC[NH2+]CC2)c2ccccc21 ZINC000423191055 296390391 /nfs/dbraw/zinc/39/03/91/296390391.db2.gz UCUUPSGZWQZQDR-DLBZAZTESA-N 2 0 302.418 2.510 20 0 DFADRP Cc1c([C@@H](C)NCCC[NH2+]Cc2cccnc2)cnn1C(C)C ZINC000423194546 296390967 /nfs/dbraw/zinc/39/09/67/296390967.db2.gz YYSOGCDNDINCEG-OAHLLOKOSA-N 2 0 315.465 2.998 20 0 DFADRP C[C@H]([NH3+])[C@H]1COCC[C@H]1[NH2+]CC1(c2c(F)cccc2F)CCC1 ZINC000423195687 296391213 /nfs/dbraw/zinc/39/12/13/296391213.db2.gz YBYSBDLPSKWRKN-WOSRLPQWSA-N 2 0 324.415 2.728 20 0 DFADRP COc1ccc(C[C@H](C)[NH2+]C[C@H]2CCC[NH2+]C2)c(C)c1OC ZINC000423206593 296392539 /nfs/dbraw/zinc/39/25/39/296392539.db2.gz GGCTVPZWZQQLFC-ZFWWWQNUSA-N 2 0 306.450 2.532 20 0 DFADRP Cc1c([C@H](C)[NH2+]C2CCC([NH3+])CC2)nnn1-c1ccc(C)cc1 ZINC000423209959 296392704 /nfs/dbraw/zinc/39/27/04/296392704.db2.gz FQXMZFQCNBFINE-JEYLPNPQSA-N 2 0 313.449 2.805 20 0 DFADRP COC(=O)c1cc(C[NH2+]CCCCC[NH+]2CCCCC2)cn1C ZINC000347789930 285175489 /nfs/dbraw/zinc/17/54/89/285175489.db2.gz FADBBGBMTYFKOJ-UHFFFAOYSA-N 2 0 321.465 2.558 20 0 DFADRP COC(=O)CCC[C@@H]1CCC[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000423211181 296392889 /nfs/dbraw/zinc/39/28/89/296392889.db2.gz IEWFHNQOFCQAFX-UIJGJVKASA-N 2 0 308.466 2.761 20 0 DFADRP c1c2c(cc3c1OCCC[C@@H]3[NH2+]C[C@@H]1CCC[NH2+]C1)CCC2 ZINC000423221489 296394030 /nfs/dbraw/zinc/39/40/30/296394030.db2.gz ZYZZIHDAIAJDJM-KDOFPFPSSA-N 2 0 300.446 2.978 20 0 DFADRP C[C@@H]1[C@H]([NH2+]C[C@@H]2CCC[NH2+]C2)CCCN1Cc1ccccc1 ZINC000423214295 296393032 /nfs/dbraw/zinc/39/30/32/296393032.db2.gz OPFHOPKDHKHLON-BHIYHBOVSA-N 2 0 301.478 2.629 20 0 DFADRP CC[C@H]([NH2+][C@@H](C)[C@@H]1CCC[NH2+]C1)c1ccc(C(=O)OC)cc1 ZINC000423211919 296393086 /nfs/dbraw/zinc/39/30/86/296393086.db2.gz HVGPRTYSGVMCIB-XKQJLSEDSA-N 2 0 304.434 2.902 20 0 DFADRP C[C@@H]1[C@@H]([NH2+]C2CCC([NH3+])CC2)CCCN1Cc1ccccc1 ZINC000423228806 296394718 /nfs/dbraw/zinc/39/47/18/296394718.db2.gz FGCLDEIXUZGLCK-HJZRJOMTSA-N 2 0 301.478 2.899 20 0 DFADRP CC(C)Oc1cccc(C[NH+]2CCC(N3CCOCC3)CC2)c1 ZINC000625552906 399585269 /nfs/dbraw/zinc/58/52/69/399585269.db2.gz RENCYDXTWGQCDG-UHFFFAOYSA-N 2 0 318.461 2.770 20 0 DFADRP Cc1ccccc1OCCC[NH+]1CCC(N2CCOCC2)CC1 ZINC000625552807 399585655 /nfs/dbraw/zinc/58/56/55/399585655.db2.gz OCIZNWGPCMQFAX-UHFFFAOYSA-N 2 0 318.461 2.561 20 0 DFADRP CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC000347805856 285183055 /nfs/dbraw/zinc/18/30/55/285183055.db2.gz CWHUDYNKEPVGKB-JKSUJKDBSA-N 2 0 311.514 2.589 20 0 DFADRP CCC[N@H+](C)CC(=O)N[C@@H](C[NH+](C)Cc1ccccc1)C(C)C ZINC000347807029 285183562 /nfs/dbraw/zinc/18/35/62/285183562.db2.gz NBOMHBCZOWUPRK-SFHVURJKSA-N 2 0 319.493 2.601 20 0 DFADRP C[NH+](C)CCC[C@@H]1CN(Cc2cc(O)ccc2Cl)CCO1 ZINC000625563191 399587917 /nfs/dbraw/zinc/58/79/17/399587917.db2.gz OVKSIBLRPLPWIV-OAHLLOKOSA-N 2 0 312.841 2.588 20 0 DFADRP c1ccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@H]([NH2+]CC[C@@H]2CC[NH2+]C2)C3)cc1 ZINC000423240288 296396057 /nfs/dbraw/zinc/39/60/57/296396057.db2.gz CAVIZLPWONNQCG-FRYIKTPZSA-N 3 0 313.489 2.771 20 0 DFADRP c1c2c(cc3c1OCCC[C@H]3[NH2+]CC[C@H]1CC[NH2+]C1)CCC2 ZINC000423251137 296397204 /nfs/dbraw/zinc/39/72/04/296397204.db2.gz RKKKAQYWNCJFAB-RDTXWAMCSA-N 2 0 300.446 2.978 20 0 DFADRP C[C@@H]1[C@H]([NH2+]CC[C@H]2CC[NH2+]C2)CCCN1Cc1ccccc1 ZINC000423247709 296396905 /nfs/dbraw/zinc/39/69/05/296396905.db2.gz LPGUOHASASGWID-ZHALLVOQSA-N 2 0 301.478 2.629 20 0 DFADRP CCC(CC)[NH2+]Cc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000156948360 197151914 /nfs/dbraw/zinc/15/19/14/197151914.db2.gz NHUJWBZULVKOQU-KRWDZBQOSA-N 2 0 317.477 2.662 20 0 DFADRP CC[C@@H]1[NH2+]CC[C@H]1NC1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000629390893 399590957 /nfs/dbraw/zinc/59/09/57/399590957.db2.gz OSFHNVQXLVQKGF-RBUKOAKNSA-N 2 0 319.468 2.563 20 0 DFADRP Cn1ccc([C@@H]([NH2+]CC[C@@H]2CCC[NH2+]C2)c2ccc(F)cc2)n1 ZINC000423262696 296398326 /nfs/dbraw/zinc/39/83/26/296398326.db2.gz VVQXUKOMWBHNDU-KSSFIOAISA-N 2 0 316.424 2.628 20 0 DFADRP Fc1ccc(N2CCC([NH2+]CC[C@H]3CCC[NH2+]C3)CC2)c(F)c1 ZINC000423259603 296397562 /nfs/dbraw/zinc/39/75/62/296397562.db2.gz OMTAHQWMTXPWAR-CQSZACIVSA-N 2 0 323.431 2.913 20 0 DFADRP C[C@H]([NH2+]CC[C@H]1CCC[NH2+]C1)c1cnn(Cc2ccccc2)c1 ZINC000423260050 296397616 /nfs/dbraw/zinc/39/76/16/296397616.db2.gz PGZIBGXIIBZSSZ-DLBZAZTESA-N 2 0 312.461 2.972 20 0 DFADRP C[C@H]([NH2+]CC[C@@H]1CCC[NH2+]C1)c1cnn(Cc2ccccc2)c1 ZINC000423260054 296397724 /nfs/dbraw/zinc/39/77/24/296397724.db2.gz PGZIBGXIIBZSSZ-IRXDYDNUSA-N 2 0 312.461 2.972 20 0 DFADRP C[C@H]([NH2+][C@@H](CN)C1CCCCC1)c1ccc(S(C)(=O)=O)cc1 ZINC000423261341 296397829 /nfs/dbraw/zinc/39/78/29/296397829.db2.gz JSTCWAUILJEDSG-GUYCJALGSA-N 2 0 324.490 2.648 20 0 DFADRP C[C@@H](Cc1c(Cl)cccc1Cl)[NH2+]CCOCCC[NH3+] ZINC000629399009 399593528 /nfs/dbraw/zinc/59/35/28/399593528.db2.gz AEHPVFSKVZLQHE-NSHDSACASA-N 2 0 305.249 2.879 20 0 DFADRP CCO[C@@H]1C[C@H](N[C@@H](C[NH3+])CC(C)C)[C@H]1Oc1ccccc1 ZINC000423262168 296397912 /nfs/dbraw/zinc/39/79/12/296397912.db2.gz LWFUJDMMSXACHJ-BZZMCLGOSA-N 2 0 306.450 2.574 20 0 DFADRP COc1ccc(C[C@H](C)[NH2+][C@@H]2CCC[C@@H]2C[NH3+])c(C)c1OC ZINC000423271331 296399285 /nfs/dbraw/zinc/39/92/85/296399285.db2.gz IYJVGDOCFAJAMA-APHBMKBZSA-N 2 0 306.450 2.660 20 0 DFADRP C[NH2+]C[C@@H](C)C[NH2+][C@H](C)c1ccc(OC(F)F)c(OC)c1 ZINC000423267911 296398488 /nfs/dbraw/zinc/39/84/88/296398488.db2.gz FNKUXGBLDVHUHG-GHMZBOCLSA-N 2 0 302.365 2.803 20 0 DFADRP CCO[C@@H]1C[C@H]([NH2+][C@@H]2CCCC[C@@H]2C[NH3+])[C@H]1Oc1ccccc1 ZINC000423267631 296398594 /nfs/dbraw/zinc/39/85/94/296398594.db2.gz CZCHYASZAWKCLU-IQZDNPOKSA-N 2 0 318.461 2.719 20 0 DFADRP C[NH2+]C[C@H](C)C[NH2+][C@@H](C)c1ccc(NC(=O)NC(C)C)cc1 ZINC000423282668 296400609 /nfs/dbraw/zinc/40/06/09/296400609.db2.gz WQQHRVDTTOSUAP-KBPBESRZSA-N 2 0 306.454 2.723 20 0 DFADRP C[C@H]1CC[C@H](NCC(C)(C)C[N@H+](C)Cc2ccccc2)C[NH2+]1 ZINC000629411990 399596659 /nfs/dbraw/zinc/59/66/59/399596659.db2.gz JKSMMBIKINGWRT-WMZOPIPTSA-N 2 0 303.494 2.875 20 0 DFADRP CN1CC[C@H]([NH2+]CC[C@H]2CCC[NH2+]C2)C[C@H]1c1ccccc1 ZINC000423277898 296399918 /nfs/dbraw/zinc/39/99/18/296399918.db2.gz QKGFBAQTHZPWJO-NEWSRXKRSA-N 2 0 301.478 2.801 20 0 DFADRP COc1cc2c(cc1OC)[C@@H]([NH2+]CC[C@@H]1CCC[NH2+]C1)CC2 ZINC000423279980 296400366 /nfs/dbraw/zinc/40/03/66/296400366.db2.gz TWYVAGPKKKTPFV-BBRMVZONSA-N 2 0 304.434 2.670 20 0 DFADRP C[NH2+]C[C@H](C)C[NH2+][C@H](Cc1ccccc1Cl)[C@@H]1CCCO1 ZINC000423279979 296400372 /nfs/dbraw/zinc/40/03/72/296400372.db2.gz TWCQUQGWOARXJU-XKQJLSEDSA-N 2 0 310.869 2.875 20 0 DFADRP C[C@H](C[NH3+])C[NH2+][C@@H]1CCCOc2c(Br)cccc21 ZINC000423299138 296402033 /nfs/dbraw/zinc/40/20/33/296402033.db2.gz PJGVABICHUQMER-ZWNOBZJWSA-N 2 0 313.239 2.847 20 0 DFADRP C[C@@H]([NH2+]CC1C[NH2+]C1)[C@@H](C)Oc1ccc(Cl)cc1Cl ZINC000423300956 296402371 /nfs/dbraw/zinc/40/23/71/296402371.db2.gz GGGLVUMPMAPZRB-NXEZZACHSA-N 2 0 303.233 2.958 20 0 DFADRP C[C@H]([NH3+])c1ccc(C(=O)NC[C@@H](c2ccccc2)[NH+](C)C)cc1 ZINC000423305014 296402711 /nfs/dbraw/zinc/40/27/11/296402711.db2.gz ZYCIFNDUVJUHET-KSSFIOAISA-N 2 0 311.429 2.739 20 0 DFADRP CC(C)[C@@H](C(=O)NCc1ccc(C[NH+]2CCCC2)cc1)[C@@H](C)[NH3+] ZINC000423309934 296402948 /nfs/dbraw/zinc/40/29/48/296402948.db2.gz MRGBPAZCCXGPGC-CRAIPNDOSA-N 2 0 317.477 2.518 20 0 DFADRP CC[NH+](CC)Cc1ccc(C[NH2+]Cc2cnc3ccnn3c2)cc1 ZINC000624211871 399599249 /nfs/dbraw/zinc/59/92/49/399599249.db2.gz HZBIKXLFAIDXBF-UHFFFAOYSA-N 2 0 323.444 2.861 20 0 DFADRP [NH3+]C1C[C@H]2CCC[C@@H](C1)C2[NH2+][C@@H]1CCO[C@@H](C(F)(F)F)C1 ZINC000423319502 296403793 /nfs/dbraw/zinc/40/37/93/296403793.db2.gz ZZJFGSCSDSKWFO-KYKFVJMVSA-N 2 0 306.372 2.592 20 0 DFADRP COc1cc([C@H](C)[NH2+]C[C@]2(C)CCC[NH2+]C2)cc(OC)c1OC ZINC000423321593 296403914 /nfs/dbraw/zinc/40/39/14/296403914.db2.gz GMVFMCLFNXTIRV-SCLBCKFNSA-N 2 0 322.449 2.753 20 0 DFADRP CC[NH+](CC)CCO[C@H]1CC[N@H+](CCCc2cnccc2C)C1 ZINC000347864950 285215510 /nfs/dbraw/zinc/21/55/10/285215510.db2.gz OCNHYDMKWRAERI-IBGZPJMESA-N 2 0 319.493 2.755 20 0 DFADRP COC[C@@H]([NH2+]CC1=CC[NH2+]CC1)c1cccc(C(F)(F)F)c1 ZINC000423329501 296405357 /nfs/dbraw/zinc/40/53/57/296405357.db2.gz BENGYMQOUWNDMM-OAHLLOKOSA-N 2 0 314.351 2.902 20 0 DFADRP CC[NH+](CC)[C@@H]1CCN(C(=O)C(C)(C)[C@H]([NH3+])c2ccccc2)C1 ZINC000423335823 296405451 /nfs/dbraw/zinc/40/54/51/296405451.db2.gz XKGDGUFQMLXVRX-IAGOWNOFSA-N 2 0 317.477 2.655 20 0 DFADRP C[C@H](CNC(=O)C(C)(C)[C@H]([NH3+])c1ccccc1)C[NH+]1CCCC1 ZINC000423336318 296406003 /nfs/dbraw/zinc/40/60/03/296406003.db2.gz GRDFMTBCRRHBTF-NVXWUHKLSA-N 2 0 317.477 2.561 20 0 DFADRP Cc1ccncc1CCC[NH+]1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000347874666 285219687 /nfs/dbraw/zinc/21/96/87/285219687.db2.gz JQHZPUFQSQFJSM-SFHVURJKSA-N 2 0 301.478 2.986 20 0 DFADRP CC[NH+](CC)Cc1cccc(CNC(=O)[C@@H](C(C)C)[C@@H](C)[NH3+])c1 ZINC000423332238 296405733 /nfs/dbraw/zinc/40/57/33/296405733.db2.gz QQTYOXVDRUQQEB-QAPCUYQASA-N 2 0 319.493 2.764 20 0 DFADRP Brc1cccc2c1C[C@@H]([NH2+]CC1=CC[NH2+]CC1)CC2 ZINC000423356878 296408154 /nfs/dbraw/zinc/40/81/54/296408154.db2.gz RHPKRRXUZPBSBR-AWEZNQCLSA-N 2 0 321.262 2.816 20 0 DFADRP Cc1cccc(C[C@@H]([NH2+][C@@H](C)CN2CC[NH+](C)CC2)C2CC2)c1 ZINC000155114734 197023133 /nfs/dbraw/zinc/02/31/33/197023133.db2.gz XMXXMQKYDDMUEU-FXAWDEMLSA-N 2 0 315.505 2.542 20 0 DFADRP CC[C@H]([NH2+]CC[C@@H]1CCC[N@@H+]1C)c1ccc2c(c1)OCCO2 ZINC000271652716 209096109 /nfs/dbraw/zinc/09/61/09/209096109.db2.gz IMTLVHGBLIRRND-HOTGVXAUSA-N 2 0 304.434 2.983 20 0 DFADRP Cc1cc([C@@H](C)[NH2+]C[C@H](N2CC[NH2+]CC2)C(F)(F)F)cs1 ZINC000423376152 296410405 /nfs/dbraw/zinc/41/04/05/296410405.db2.gz AQRJTZXHGCQUEA-YPMHNXCESA-N 2 0 321.412 2.543 20 0 DFADRP C[C@@H](CN1CC[NH+](C)CC1)[NH2+][C@H]1c2cccc(F)c2CC[C@@H]1C ZINC000154906569 197004469 /nfs/dbraw/zinc/00/44/69/197004469.db2.gz UWTVWBYPGFIKMO-YZVOILCLSA-N 2 0 319.468 2.675 20 0 DFADRP COc1ccc([C@H](C)[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1OC ZINC000318886911 533174502 /nfs/dbraw/zinc/17/45/02/533174502.db2.gz NQZHETFOBZUBJT-NUEKZKHPSA-N 2 0 304.434 2.981 20 0 DFADRP CCC[C@@H]([NH2+]C[C@H](N1CC[NH2+]CC1)C(F)(F)F)C1CCCC1 ZINC000423396623 296412108 /nfs/dbraw/zinc/41/21/08/296412108.db2.gz RVVYLHVLKXSXHP-CABCVRRESA-N 2 0 321.431 2.771 20 0 DFADRP COc1cc2[nH+]ccc(N3CC[NH+](C4CC4)CC3)c2cc1OC ZINC000298142983 533178812 /nfs/dbraw/zinc/17/88/12/533178812.db2.gz CYSMYGJAOOTQLY-UHFFFAOYSA-N 2 0 313.401 2.536 20 0 DFADRP COCC1(C[NH2+][C@@H]2CSCCc3ccccc32)CC[NH2+]CC1 ZINC000423395225 296412145 /nfs/dbraw/zinc/41/21/45/296412145.db2.gz AEONQMKPICVJSC-QGZVFWFLSA-N 2 0 320.502 2.623 20 0 DFADRP COCC1(C[NH2+][C@H](C)c2cc(C)ccc2OC)CC[NH2+]CC1 ZINC000423398700 296412590 /nfs/dbraw/zinc/41/25/90/296412590.db2.gz UDJQOVNIMIORMT-OAHLLOKOSA-N 2 0 306.450 2.670 20 0 DFADRP C[C@H]([NH2+]C[C@@H]1C[NH2+]C[C@@H]1O)c1ccc(-c2cccs2)cc1 ZINC000423409451 296413730 /nfs/dbraw/zinc/41/37/30/296413730.db2.gz QDELXXWQCLAZPG-RCBQFDQVSA-N 2 0 302.443 2.646 20 0 DFADRP Cc1c([C@H](C)[NH2+][C@@H]2C[C@H]2C2CC[NH2+]CC2)cnn1C(C)(C)C ZINC000423422630 296415272 /nfs/dbraw/zinc/41/52/72/296415272.db2.gz BRVRELZGAXYOJV-YLQAJVPDSA-N 2 0 304.482 2.985 20 0 DFADRP C[C@@H]([NH2+][C@@H](C)CCCC[NH3+])c1cccc(N2CCOCC2)c1 ZINC000423447646 296417247 /nfs/dbraw/zinc/41/72/47/296417247.db2.gz ZVDLZCPEPKFWRY-JKSUJKDBSA-N 2 0 305.466 2.691 20 0 DFADRP COC(=O)c1ccc([C@@H](C)[N@@H+]2CCC3(C2)CC[NH+](C)CC3)o1 ZINC000602877069 399611926 /nfs/dbraw/zinc/61/19/26/399611926.db2.gz LKRWGRQQBULBPP-CYBMUJFWSA-N 2 0 306.406 2.545 20 0 DFADRP [NH3+][C@@H]1CCC[C@H](C[NH2+][C@H](c2ccc(F)cc2)c2cnccn2)C1 ZINC000423460365 296418243 /nfs/dbraw/zinc/41/82/43/296418243.db2.gz AUIZZEFXTIDQGS-FDQGKXFDSA-N 2 0 314.408 2.812 20 0 DFADRP C[N@@H+]1CCC[C@H](NC(=O)c2ccc(Nc3cc[nH+]cc3)cc2)C1 ZINC000073434122 542464369 /nfs/dbraw/zinc/46/43/69/542464369.db2.gz RPVLMJPOANSEMC-KRWDZBQOSA-N 2 0 310.401 2.649 20 0 DFADRP COc1ccc([C@@H](C)[NH2+]CCC[C@@H]2CCC[NH2+]2)cc1NC(C)=O ZINC000423465942 296418786 /nfs/dbraw/zinc/41/87/86/296418786.db2.gz ADZJNEQKRFAUFT-CZUORRHYSA-N 2 0 319.449 2.836 20 0 DFADRP C[C@@H](CCC[NH3+])[NH2+][C@@H](C)c1ccc(OCc2nccn2C)cc1 ZINC000423454660 296417946 /nfs/dbraw/zinc/41/79/46/296417946.db2.gz LVZXUTXAFSOSGU-GJZGRUSLSA-N 2 0 316.449 2.777 20 0 DFADRP C[C@@H]1COCC[C@H]1[NH2+]C[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC000423470629 296419186 /nfs/dbraw/zinc/41/91/86/296419186.db2.gz LNHLIMFUCIVFLR-AETAKHFUSA-N 2 0 306.425 2.533 20 0 DFADRP Cc1c([C@@H](C)[NH2+]CCC[C@H]2CCC[NH2+]2)nnn1-c1ccccc1 ZINC000423481902 296420796 /nfs/dbraw/zinc/42/07/96/296420796.db2.gz OQYLMMGYIYYMPR-ZBFHGGJFSA-N 2 0 313.449 2.759 20 0 DFADRP COc1cc(NC(C)=O)ccc1[C@H](C)[NH2+]CCC[C@@H]1CCC[NH2+]1 ZINC000423489701 296421376 /nfs/dbraw/zinc/42/13/76/296421376.db2.gz WWHKXIJKNPYAEL-DZGCQCFKSA-N 2 0 319.449 2.836 20 0 DFADRP C[C@H]([NH2+]CCC[C@@H]1CCC[NH2+]1)c1cccc(N2CCOCC2)c1 ZINC000423490961 296421640 /nfs/dbraw/zinc/42/16/40/296421640.db2.gz YFDFWRNSNUKYJB-FUHWJXTLSA-N 2 0 317.477 2.706 20 0 DFADRP CC(C)[C@H]([NH2+][C@H]1CC[C@@H](C[NH3+])C1)c1ccc2[nH]c(=O)oc2c1 ZINC000423493045 296421947 /nfs/dbraw/zinc/42/19/47/296421947.db2.gz PJDDODVRCNKZBW-FFSVYQOJSA-N 2 0 303.406 2.948 20 0 DFADRP C[C@@H]([NH2+]CCCN1CC[NH+](C)CC1)c1cc2ccccc2o1 ZINC000120411157 195160701 /nfs/dbraw/zinc/16/07/01/195160701.db2.gz DXJFTQLRQZMSKL-OAHLLOKOSA-N 2 0 301.434 2.721 20 0 DFADRP O=C1OCC[C@H]1CC[N@@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000120612343 195201634 /nfs/dbraw/zinc/20/16/34/195201634.db2.gz MSOPJPBMMRXNIA-DLBZAZTESA-N 2 0 308.466 2.528 20 0 DFADRP C[C@H]([NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)c1ccc(-n2cccn2)cc1 ZINC000423537363 296427840 /nfs/dbraw/zinc/42/78/40/296427840.db2.gz COHNRRCOSOFDEC-XOYOTBSWSA-N 2 0 310.445 2.911 20 0 DFADRP CC[C@H]([NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)c1ccc(C(=O)OC)cc1 ZINC000423541060 296428233 /nfs/dbraw/zinc/42/82/33/296428233.db2.gz FAVNYXYXAJBEND-XDNAFOTISA-N 2 0 316.445 2.902 20 0 DFADRP C[C@H]([NH2+]Cc1ccc(OCC[NH+]2CCCC2)cc1)[C@H]1CCCO1 ZINC000075782545 542473597 /nfs/dbraw/zinc/47/35/97/542473597.db2.gz AAHPVEXBDODNOH-QFBILLFUSA-N 2 0 318.461 2.818 20 0 DFADRP Cc1cnccc1OC1CC[NH+](CC[C@@H]2CCC[N@H+]2C)CC1 ZINC000289475541 221001748 /nfs/dbraw/zinc/00/17/48/221001748.db2.gz XKTRDQYEGAQKST-INIZCTEOSA-N 2 0 303.450 2.718 20 0 DFADRP C[NH+](C)Cc1cccc(NC(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)c1 ZINC000289620416 221109018 /nfs/dbraw/zinc/10/90/18/221109018.db2.gz RJKGICBYGOXIQL-GOSISDBHSA-N 2 0 321.440 2.899 20 0 DFADRP CO[C@H](C[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1)c1ccc(F)cc1 ZINC000629516609 399632802 /nfs/dbraw/zinc/63/28/02/399632802.db2.gz LNTCBDQXTAREPJ-RYQLBKOJSA-N 2 0 306.425 2.977 20 0 DFADRP CCc1ncc(C[NH2+]CCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)s1 ZINC000084018242 542505175 /nfs/dbraw/zinc/50/51/75/542505175.db2.gz BKWSZZXUKKCNQB-OKILXGFUSA-N 2 0 311.495 2.685 20 0 DFADRP Cc1cccnc1[C@H]1CCC[C@@H]([NH2+]CC2([NH3+])CCOCC2)C1 ZINC000629519313 399633908 /nfs/dbraw/zinc/63/39/08/399633908.db2.gz FPVXLOORJIMTHD-JKSUJKDBSA-N 2 0 303.450 2.514 20 0 DFADRP CCC[N@@H+]1CC[C@@H](C[NH2+]Cc2ccc(COCCOC)cc2)C1 ZINC000289824058 221249932 /nfs/dbraw/zinc/24/99/32/221249932.db2.gz SVZLZXLGEONXBL-IBGZPJMESA-N 2 0 320.477 2.671 20 0 DFADRP C[NH+]1CCC(NC[C@@H]2CCCC[N@H+](Cc3ccccc3)C2)CC1 ZINC000289830431 221254011 /nfs/dbraw/zinc/25/40/11/221254011.db2.gz OFLQPQYJZXICTD-IBGZPJMESA-N 2 0 315.505 2.973 20 0 DFADRP C[C@H](Cc1cccc(C(F)(F)F)c1)[NH2+]CC1([NH3+])CCOCC1 ZINC000629521815 399635052 /nfs/dbraw/zinc/63/50/52/399635052.db2.gz VGAVYDVMVVHVLN-GFCCVEGCSA-N 2 0 316.367 2.734 20 0 DFADRP CO[C@H]1C[C@@H](C[NH2+][C@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000624311221 399635103 /nfs/dbraw/zinc/63/51/03/399635103.db2.gz VFMDSISFELJMOV-OWYHZJEWSA-N 2 0 302.462 2.912 20 0 DFADRP CCC[NH+]1CCC([NH2+]C[C@]2(CO)C[C@H]2c2ccccc2)CC1 ZINC000289855579 221271498 /nfs/dbraw/zinc/27/14/98/221271498.db2.gz QSXMSJDXBFRCAI-OALUTQOASA-N 2 0 302.462 2.617 20 0 DFADRP COCCOCc1ccc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000289895616 221299085 /nfs/dbraw/zinc/29/90/85/221299085.db2.gz YCDRLHHBDYLNGG-RBUKOAKNSA-N 2 0 318.461 2.566 20 0 DFADRP C[NH2+]CCOCC[NH2+][C@@H](C)[C@@H](C)c1nc2ccccc2s1 ZINC000629528658 399636271 /nfs/dbraw/zinc/63/62/71/399636271.db2.gz GFFYFBUBAZVUHY-OLZOCXBDSA-N 2 0 307.463 2.614 20 0 DFADRP CC[C@@H]1[NH2+]CC[C@H]1N[C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000629527407 399636749 /nfs/dbraw/zinc/63/67/49/399636749.db2.gz VCSDLLAHXSHYGU-DSLXNQLJSA-N 2 0 301.478 2.627 20 0 DFADRP C[NH2+]CCOCC[NH2+][C@H](C)c1cc(Cl)ccc1OC(F)F ZINC000629529167 399636877 /nfs/dbraw/zinc/63/68/77/399636877.db2.gz UCVMVOUMKXXFMH-SNVBAGLBSA-N 2 0 322.783 2.828 20 0 DFADRP C[NH2+]CCOCC[NH2+]C1c2ccccc2CCc2ccccc21 ZINC000629529920 399637540 /nfs/dbraw/zinc/63/75/40/399637540.db2.gz QLNJKQKDINAGTD-UHFFFAOYSA-N 2 0 310.441 2.700 20 0 DFADRP COC[C@@H](CCC[NH3+])[NH2+]CCc1c(C)[nH]c2ccc(F)cc21 ZINC000629532927 399638037 /nfs/dbraw/zinc/63/80/37/399638037.db2.gz YUHUKKGYEHTYJI-CQSZACIVSA-N 2 0 307.413 2.501 20 0 DFADRP C[NH2+]CCOCC[NH2+][C@H](C)c1csc(-c2ccccc2)n1 ZINC000629531728 399638049 /nfs/dbraw/zinc/63/80/49/399638049.db2.gz WBWWGVLVLQUFLG-CYBMUJFWSA-N 2 0 305.447 2.697 20 0 DFADRP COc1ccc([C@H]([NH2+]CCOCCC[NH3+])c2ccccc2)cc1 ZINC000629536421 399640383 /nfs/dbraw/zinc/64/03/83/399640383.db2.gz HKXKANAHKDGIAG-LJQANCHMSA-N 2 0 314.429 2.740 20 0 DFADRP Cc1cc(Cl)cc2c1OCCC[C@@H]2[NH2+]CCOCCC[NH3+] ZINC000629539156 399640066 /nfs/dbraw/zinc/64/00/66/399640066.db2.gz OLSDKFNKWJMQCR-HNNXBMFYSA-N 2 0 312.841 2.817 20 0 DFADRP C[C@@H]([NH2+]CCOCCC[NH3+])c1cc(Br)cs1 ZINC000629541400 399641151 /nfs/dbraw/zinc/64/11/51/399641151.db2.gz ZQCNSNPBCJMZHV-SECBINFHSA-N 2 0 307.257 2.527 20 0 DFADRP [NH3+][C@H]1CCO[C@@H](C2CC[NH+](Cc3cc(O)ccc3Cl)CC2)C1 ZINC000629540831 399641963 /nfs/dbraw/zinc/64/19/63/399641963.db2.gz SWKIGSNYBJCDJT-WMLDXEAASA-N 2 0 324.852 2.764 20 0 DFADRP C[C@@H]([NH2+]CCOCCC[NH3+])c1ccc(Br)c(F)c1 ZINC000629541914 399641465 /nfs/dbraw/zinc/64/14/65/399641465.db2.gz TZENFIXVHZJNNY-SNVBAGLBSA-N 2 0 319.218 2.604 20 0 DFADRP C[NH+](C)[C@@H](CC(=O)N[C@H]1CC[N@@H+](C(C)(C)C)C1)c1ccccc1 ZINC000617345073 399671051 /nfs/dbraw/zinc/67/10/51/399671051.db2.gz WSLIHRLBGWISEM-IRXDYDNUSA-N 2 0 317.477 2.668 20 0 DFADRP C[C@H]([NH2+][C@@H]1CCN(c2ccc(Cl)cc2F)C1)[C@H]1CC[NH2+]C1 ZINC000629544558 399642620 /nfs/dbraw/zinc/64/26/20/399642620.db2.gz JHBFZIHPDMLJPT-SGMGOOAPSA-N 2 0 311.832 2.645 20 0 DFADRP Fc1cc(Cl)ccc1N1CC[C@H]([NH2+][C@@H]2CCC[NH2+]CC2)C1 ZINC000629547476 399643868 /nfs/dbraw/zinc/64/38/68/399643868.db2.gz TUSFMGWAWQIPLU-KGLIPLIRSA-N 2 0 311.832 2.790 20 0 DFADRP CC(C)CC[C@@H]([NH2+]Cc1cn([C@H]2CC[NH2+]C2)nn1)C(C)(C)C ZINC000629551833 399645813 /nfs/dbraw/zinc/64/58/13/399645813.db2.gz XGXORBRCELIFSK-JKSUJKDBSA-N 2 0 307.486 2.753 20 0 DFADRP C[NH2+]CCOCCN(C)Cc1coc(-c2ccc(Cl)cc2)n1 ZINC000629567968 399651613 /nfs/dbraw/zinc/65/16/13/399651613.db2.gz HQONZVRTJIKUIZ-UHFFFAOYSA-N 2 0 323.824 2.663 20 0 DFADRP CC(C)(C)n1cc(CN2CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C2)cn1 ZINC000629566434 399652534 /nfs/dbraw/zinc/65/25/34/399652534.db2.gz ZAUBUCYRKQHMEL-CHWSQXEVSA-N 2 0 318.387 2.597 20 0 DFADRP COc1ccc(CN2CC[C@H](C(F)(F)F)[C@H](C[NH3+])C2)cc1F ZINC000629568865 399652614 /nfs/dbraw/zinc/65/26/14/399652614.db2.gz VHDFQFZJWPWGPN-NEPJUHHUSA-N 2 0 320.330 2.793 20 0 DFADRP Fc1ccc(/C=C/C[NH+]2CCC(CO[C@@H]3CC[NH2+]C3)CC2)cc1 ZINC000629672635 399685077 /nfs/dbraw/zinc/68/50/77/399685077.db2.gz NQGONVVWXCXZBE-VQSDEBNRSA-N 2 0 318.436 2.929 20 0 DFADRP Cc1nn(C)c(Oc2ccccc2)c1C[NH2+]CCCC[NH+](C)C ZINC000624511524 399695970 /nfs/dbraw/zinc/69/59/70/399695970.db2.gz LVOVJHJBOSDOOH-UHFFFAOYSA-N 2 0 316.449 2.952 20 0 DFADRP C[C@@H](C[NH2+]CCOCCC[NH3+])c1ccc(C(F)(F)F)cc1 ZINC000629678839 399686973 /nfs/dbraw/zinc/68/69/73/399686973.db2.gz LQHDMXMPNXRLIL-LBPRGKRZSA-N 2 0 304.356 2.764 20 0 DFADRP C[NH+](C)Cc1ccc(-c2ccc(N3CC[NH2+]CC3)cc2)cc1F ZINC000629708454 399697474 /nfs/dbraw/zinc/69/74/74/399697474.db2.gz GXMQQDLRSLXPEJ-UHFFFAOYSA-N 2 0 313.420 2.964 20 0 DFADRP FC(F)(F)[C@@H]1C[C@H]([NH2+]C2CC[NH+](CC3CC3)CC2)CCO1 ZINC000348072288 285330383 /nfs/dbraw/zinc/33/03/83/285330383.db2.gz AFRTWMBVUFZDIZ-KGLIPLIRSA-N 2 0 306.372 2.560 20 0 DFADRP C[C@@H]([NH3+])c1ccc(-c2cccc(C[C@H](C[NH3+])CO)c2)cc1F ZINC000629738714 399710297 /nfs/dbraw/zinc/71/02/97/399710297.db2.gz XVYMNQBXBNMRNS-TZMCWYRMSA-N 2 0 302.393 2.622 20 0 DFADRP C[C@H]([NH2+]CCc1nc2c(s1)CCCC2)C1CC[NH+](C)CC1 ZINC000089667523 542530447 /nfs/dbraw/zinc/53/04/47/542530447.db2.gz FUZIDUSHBPXMDD-ZDUSSCGKSA-N 2 0 307.507 2.884 20 0 DFADRP C[NH+]1CCC(N[C@@H]2C[N@H+](Cc3ccccc3)C(C)(C)C2)CC1 ZINC000090168240 542534427 /nfs/dbraw/zinc/53/44/27/542534427.db2.gz ATWULKWATPTUKL-SFHVURJKSA-N 2 0 301.478 2.723 20 0 DFADRP COC1(C[NH2+]C2CC[NH+]([C@@H]3CCC[C@@H](C)C3)CC2)CCOCC1 ZINC000090653294 542539015 /nfs/dbraw/zinc/53/90/15/542539015.db2.gz IEBIUKSVPKTYCC-SJLPKXTDSA-N 2 0 324.509 2.815 20 0 DFADRP CC(C)CO[C@H]1CC[N@H+](Cc2ccc(OCC[NH+](C)C)cc2)C1 ZINC000091964154 542543806 /nfs/dbraw/zinc/54/38/06/542543806.db2.gz AURUXRBCJZGLKE-IBGZPJMESA-N 2 0 320.477 2.874 20 0 DFADRP C[NH+](C)CCOc1ccc(C[N@@H+]2CCOCC23CCCC3)cc1 ZINC000093840526 542554582 /nfs/dbraw/zinc/55/45/82/542554582.db2.gz IDXXASAPPJPNMH-UHFFFAOYSA-N 2 0 318.461 2.772 20 0 DFADRP CC[C@@H]1CC[C@@H]1[NH2+]Cc1ccc(N2CC[NH+](CC)CC2)nc1 ZINC000348086298 285337682 /nfs/dbraw/zinc/33/76/82/285337682.db2.gz NMINOEKYMBXDHU-SJORKVTESA-N 2 0 302.466 2.502 20 0 DFADRP C[NH+](C)CC1CCC(NC(=O)[C@H]2CCCCCC[C@H]2[NH3+])CC1 ZINC000423745741 296443091 /nfs/dbraw/zinc/44/30/91/296443091.db2.gz MTJQLQJMLADJOM-SJJHQCBESA-N 2 0 309.498 2.521 20 0 DFADRP CCC[NH+]1CCC([NH2+][C@H]2CCN(c3ccccc3OC)C2)CC1 ZINC000119618373 542574046 /nfs/dbraw/zinc/57/40/46/542574046.db2.gz QYFFWJNLJRMYNQ-KRWDZBQOSA-N 2 0 317.477 2.738 20 0 DFADRP CCCOc1cccc2c(NC[C@H]3COCCN3C)ccnc12 ZINC000624620526 399728040 /nfs/dbraw/zinc/72/80/40/399728040.db2.gz FZTHQSYCSKAJRO-AWEZNQCLSA-N 2 0 315.417 2.766 20 0 DFADRP O[C@H](C[NH+]1CCC(C[NH+]2CCCC2)CC1)c1ccc(F)cc1 ZINC000193078307 285348862 /nfs/dbraw/zinc/34/88/62/285348862.db2.gz LCSOXZHLNXJTFG-GOSISDBHSA-N 2 0 306.425 2.667 20 0 DFADRP [NH3+]C1(C(=O)Nc2cccc(CC[NH+]3CCCC3)c2)CCCCC1 ZINC000423770460 296445717 /nfs/dbraw/zinc/44/57/17/296445717.db2.gz HNOWFJFRJWSONU-UHFFFAOYSA-N 2 0 315.461 2.925 20 0 DFADRP Cc1ccc([C@@H](C)[NH2+]C[C@H](C)CN2CC[NH+](C)CC2)c(C)c1 ZINC000120993806 195277524 /nfs/dbraw/zinc/27/75/24/195277524.db2.gz ILRPQZXNTGGKHX-FUHWJXTLSA-N 2 0 303.494 2.838 20 0 DFADRP CC[C@H]([NH2+]C[C@H](C)CN1CC[NH+](C)CC1)c1ccc(F)cc1 ZINC000121031358 195282632 /nfs/dbraw/zinc/28/26/32/195282632.db2.gz WRBNRIRINVBCNP-YJBOKZPZSA-N 2 0 307.457 2.750 20 0 DFADRP C[C@H](C[NH2+][C@H]1CCCc2ccccc21)CN1CC[NH+](C)CC1 ZINC000121029711 195282809 /nfs/dbraw/zinc/28/28/09/195282809.db2.gz RPYLZZCBYFPALG-APWZRJJASA-N 2 0 301.478 2.537 20 0 DFADRP CCN(CCC[NH+](CC)CC)C(=O)[C@H]([NH3+])c1ccccc1C ZINC000423782339 296447337 /nfs/dbraw/zinc/44/73/37/296447337.db2.gz LYDBWBFVCOTSAT-QGZVFWFLSA-N 2 0 305.466 2.575 20 0 DFADRP C[N@@H+]1CCC[C@@H]1CC[NH+]1CC[C@@](O)(Cc2cccc(Cl)c2)C1 ZINC000348130118 285370107 /nfs/dbraw/zinc/37/01/07/285370107.db2.gz UUOKTRMAAVIWBH-QZTJIDSGSA-N 2 0 322.880 2.804 20 0 DFADRP Cc1cc(C[NH+](C)C)cc(NC(=O)[C@]23C[NH2+]C[C@@H]2CCCC3)c1 ZINC000423787988 296447968 /nfs/dbraw/zinc/44/79/68/296447968.db2.gz RYCXUGSOBQZRPL-QFBILLFUSA-N 2 0 315.461 2.775 20 0 DFADRP C[C@@H]([NH2+]CC1CC[NH+](C)CC1)c1cccc(N2CCCC2=O)c1 ZINC000126293873 195827657 /nfs/dbraw/zinc/82/76/57/195827657.db2.gz DEPHOAXBHQCXSQ-OAHLLOKOSA-N 2 0 315.461 2.806 20 0 DFADRP CC[N@H+](Cc1ccc(C[NH+](C)C)cc1)CC1(O)CCSCC1 ZINC000626063950 399742768 /nfs/dbraw/zinc/74/27/68/399742768.db2.gz WJNYFYPEVZADDB-UHFFFAOYSA-N 2 0 322.518 2.828 20 0 DFADRP CC(C)NC(=O)Nc1ccc(C[NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)cc1 ZINC000127971543 542616334 /nfs/dbraw/zinc/61/63/34/542616334.db2.gz ZUCRWEKERMWMKV-RHSMWYFYSA-N 2 0 318.465 2.789 20 0 DFADRP [NH3+][C@H](CCC(=O)N1CCC[C@H]2C[NH2+]CC[C@H]21)CC1CCCCC1 ZINC000632865579 399771440 /nfs/dbraw/zinc/77/14/40/399771440.db2.gz VHPQATCITVLTLS-RCCFBDPRSA-N 2 0 321.509 2.665 20 0 DFADRP C[C@@H]([NH2+]Cc1ccnc(N2CCCC2)c1)C1CC[NH+](C)CC1 ZINC000131528579 542637313 /nfs/dbraw/zinc/63/73/13/542637313.db2.gz UHOMEGZGBUOIEY-OAHLLOKOSA-N 2 0 302.466 2.502 20 0 DFADRP CC[NH+](CC)[C@H](C(=O)N1C[C@@H](C)[C@](C)(C[NH3+])C1)c1ccccc1 ZINC000423973822 296470437 /nfs/dbraw/zinc/47/04/37/296470437.db2.gz DLLYRUVGBDJTCA-HHXXYDBFSA-N 2 0 317.477 2.513 20 0 DFADRP Cc1ccccc1[C@@H]([C@H](C)NC(=O)C[N@H+](C)C1CCC1)[NH+](C)C ZINC000629990566 399784120 /nfs/dbraw/zinc/78/41/20/399784120.db2.gz CTGCDPNDJIQARQ-HNAYVOBHSA-N 2 0 317.477 2.587 20 0 DFADRP COC(C)(C)CC[NH+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000348302567 285482167 /nfs/dbraw/zinc/48/21/67/285482167.db2.gz APWMHSPLVWBGDK-ROUUACIJSA-N 2 0 302.462 2.865 20 0 DFADRP CCCCCC(=O)NCC1([NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000424023000 296476467 /nfs/dbraw/zinc/47/64/67/296476467.db2.gz AAAZPIMGXIYEBV-UHFFFAOYSA-N 2 0 317.477 2.676 20 0 DFADRP CC(C)[NH+]1CCC([NH2+]C[C@@H]2CCN(c3ccccc3)C2)CC1 ZINC000152578116 542678034 /nfs/dbraw/zinc/67/80/34/542678034.db2.gz ZZWKJPIXUJDFOD-KRWDZBQOSA-N 2 0 301.478 2.975 20 0 DFADRP C[C@@H]([NH2+][C@@H]1CCN(c2ccc(F)cc2F)C1)C1CC[NH+](C)CC1 ZINC000155489139 542696925 /nfs/dbraw/zinc/69/69/25/542696925.db2.gz XRBQCVVRZTYWIE-CZUORRHYSA-N 2 0 323.431 2.863 20 0 DFADRP COCC[C@H]1CCC[C@H]1[NH2+]CC1(SC)CC[NH+](C)CC1 ZINC000353627426 132136946 /nfs/dbraw/zinc/13/69/46/132136946.db2.gz KIIQURPRUZRWJT-HUUCEWRRSA-N 2 0 300.512 2.609 20 0 DFADRP CC(=O)Nc1ccc(CC[NH2+][C@H](C)C2CC[NH+](C)CC2)cc1 ZINC000165693273 542750016 /nfs/dbraw/zinc/75/00/16/542750016.db2.gz PPJFYXCAYYLOKV-CQSZACIVSA-N 2 0 303.450 2.507 20 0 DFADRP c1nn(-c2ccccc2)cc1CC[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000166099301 542750117 /nfs/dbraw/zinc/75/01/17/542750117.db2.gz WDQYRIPPTSVXSI-PKOBYXMFSA-N 2 0 310.445 2.631 20 0 DFADRP c1cn(Cc2cccc(C[NH2+][C@H]3CC[N@@H+]4CCC[C@@H]4C3)c2)cn1 ZINC000166122381 542750172 /nfs/dbraw/zinc/75/01/72/542750172.db2.gz CPDLACUFRUNJRR-RBUKOAKNSA-N 2 0 310.445 2.648 20 0 DFADRP O=C(NCCCCC[NH+]1CCCCC1)[C@@H]1C[C@H]2CCCC[C@@H]2[NH2+]1 ZINC000168742296 542754386 /nfs/dbraw/zinc/75/43/86/542754386.db2.gz TVQLYFJRKLEXFU-SQNIBIBYSA-N 2 0 321.509 2.680 20 0 DFADRP C[NH+]1CCC(CNC(=O)CC[C@H]([NH3+])CC2CCCCC2)CC1 ZINC000424143854 296487953 /nfs/dbraw/zinc/48/79/53/296487953.db2.gz GOEXHZJSEAIHJF-KRWDZBQOSA-N 2 0 309.498 2.522 20 0 DFADRP C[NH+]1CCC(CCNC(=O)CC[C@@H]([NH3+])CC2CCCCC2)CC1 ZINC000424151653 296488402 /nfs/dbraw/zinc/48/84/02/296488402.db2.gz HJNYJVQZQVRMHO-GOSISDBHSA-N 2 0 323.525 2.912 20 0 DFADRP CC[C@@H](C(=O)N1CCC[C@H]([NH+]2CCCC2)CC1)[NH+](CC)CC ZINC000348418472 285536603 /nfs/dbraw/zinc/53/66/03/285536603.db2.gz VCUSTHGKPWPUAR-IRXDYDNUSA-N 2 0 309.498 2.584 20 0 DFADRP CCSc1cccc(C[NH2+]CCCN2CCC[N@H+](C)CC2)c1 ZINC000185519040 542811224 /nfs/dbraw/zinc/81/12/24/542811224.db2.gz KVYAFZTWEVCBRC-UHFFFAOYSA-N 2 0 321.534 2.916 20 0 DFADRP CC[NH+](CC)Cc1cccc(CNC(=O)c2ccc(C[NH3+])o2)c1 ZINC000236924390 542899326 /nfs/dbraw/zinc/89/93/26/542899326.db2.gz LWRQZRRIXZAIJZ-UHFFFAOYSA-N 2 0 315.417 2.510 20 0 DFADRP [NH3+]C1(CC(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)CCC1 ZINC000238001022 542909220 /nfs/dbraw/zinc/90/92/20/542909220.db2.gz GDCMTHRZDTZYRF-UHFFFAOYSA-N 2 0 315.461 2.560 20 0 DFADRP c1nn(C2CC[NH+](Cc3ccc4c(c3)CCC4)CC2)c2c1C[NH2+]C2 ZINC000424302301 296499819 /nfs/dbraw/zinc/49/98/19/296499819.db2.gz ZDZALPQUXBETKD-UHFFFAOYSA-N 2 0 322.456 2.812 20 0 DFADRP COc1cc2c(cc1OC)[C@@H]([NH2+]C[C@H]1CC[N@@H+](C3CC3)C1)CC2 ZINC000280003414 542986086 /nfs/dbraw/zinc/98/60/86/542986086.db2.gz GDVIAYOTLCBMKV-DYVFJYSZSA-N 2 0 316.445 2.765 20 0 DFADRP CC(C)C[N@@H+]1Cc2cccc(NC(=O)CCc3c[nH]cn3)c2C1 ZINC000281391076 542991669 /nfs/dbraw/zinc/99/16/69/542991669.db2.gz YZFMUZKLONAZKH-UHFFFAOYSA-N 2 0 312.417 2.953 20 0 DFADRP Cc1cc(C[NH3+])cc(NC(=O)NCCC[NH2+]C2CCCCC2)c1 ZINC000424434527 296509837 /nfs/dbraw/zinc/50/98/37/296509837.db2.gz KCSTVHMLMSVTEV-UHFFFAOYSA-N 2 0 318.465 2.888 20 0 DFADRP CCN(C(=O)[C@H]1CC[NH+](C2CCCCC2)C1)[C@H]1CC[N@H+](CC)C1 ZINC000617928289 399837863 /nfs/dbraw/zinc/83/78/63/399837863.db2.gz MVZIYMYNEHGLQH-WMZOPIPTSA-N 2 0 321.509 2.584 20 0 DFADRP C[C@H]([NH2+]CC1(O)CCCC1)c1cccc(OCC[NH+](C)C)c1 ZINC000305146047 543055575 /nfs/dbraw/zinc/05/55/75/543055575.db2.gz RUHSUXYSPGBBQZ-HNNXBMFYSA-N 2 0 306.450 2.583 20 0 DFADRP CCCOc1ccc(OCC[N@@H+]2CC[C@H]([NH3+])[C@@H](CC)C2)cc1 ZINC000317616433 543076221 /nfs/dbraw/zinc/07/62/21/543076221.db2.gz TUAIUNMGXSBWOM-YJBOKZPZSA-N 2 0 306.450 2.913 20 0 DFADRP CC[C@@H]([NH2+]CC(C)(C)N1CC[NH+](C)CC1)c1cccc(F)c1 ZINC000319132797 543078461 /nfs/dbraw/zinc/07/84/61/543078461.db2.gz BKDKMELHAYBBAF-QGZVFWFLSA-N 2 0 307.457 2.892 20 0 DFADRP Cc1nc([C@@H](C)[NH2+]C[C@@H](C(C)C)N2CC[NH+](C)CC2)c(C)s1 ZINC000315288752 543071859 /nfs/dbraw/zinc/07/18/59/543071859.db2.gz NMJKVJPNEUSMQV-CJNGLKHVSA-N 2 0 324.538 2.683 20 0 DFADRP c1ccc(CN2CCC[N@@H+](CCCC3CC[NH2+]CC3)CC2)cc1 ZINC000323558909 543092883 /nfs/dbraw/zinc/09/28/83/543092883.db2.gz SSQUNWFFGQIGKP-UHFFFAOYSA-N 2 0 315.505 2.974 20 0 DFADRP CCC(CC)C[NH+]1CCC(C(=O)NCCC[NH+]2CCCC2)CC1 ZINC000348907179 285718238 /nfs/dbraw/zinc/71/82/38/285718238.db2.gz WIBYGWQHJSLHCW-UHFFFAOYSA-N 2 0 323.525 2.737 20 0 DFADRP C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)CC[N@@H+]2CCCC[C@H]2C)C1 ZINC000339263981 543142533 /nfs/dbraw/zinc/14/25/33/543142533.db2.gz IBNURPYGIDJFRD-KZNAEPCWSA-N 2 0 323.525 2.735 20 0 DFADRP c1cnn(Cc2cccc(C[NH2+][C@@H]3CC[N@@H+]4CCC[C@H]4C3)c2)c1 ZINC000339068780 543139538 /nfs/dbraw/zinc/13/95/38/543139538.db2.gz PZPCYWNEAFUKHL-MOPGFXCFSA-N 2 0 310.445 2.648 20 0 DFADRP C[NH+]1CCN(Cc2ccc(C[NH2+][C@H]3CC[C@H]3C3CC3)cc2)CC1 ZINC000348081051 543182974 /nfs/dbraw/zinc/18/29/74/543182974.db2.gz HXWBSKQTULKZPS-PMACEKPBSA-N 2 0 313.489 2.712 20 0 DFADRP CC[NH+](CC)CCCNC(=O)C1CC[NH+](CC2(C)CCC2)CC1 ZINC000348937310 543189655 /nfs/dbraw/zinc/18/96/55/543189655.db2.gz VPXNAOMNAWLJTE-UHFFFAOYSA-N 2 0 323.525 2.737 20 0 DFADRP CC(C)(C)CNC(=O)C[NH+]1CCC(CCC[NH+]2CCCC2)CC1 ZINC000625271652 399871352 /nfs/dbraw/zinc/87/13/52/399871352.db2.gz ZGQYZXXBMBMSDK-UHFFFAOYSA-N 2 0 323.525 2.737 20 0 DFADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]C[C@](C)(CO)Cc1ccccc1 ZINC000357815049 543264418 /nfs/dbraw/zinc/26/44/18/543264418.db2.gz VESMVOSHUFHWQY-ZAWLATJESA-N 2 0 304.478 2.546 20 0 DFADRP Cc1ccc(C)c([C@H](C)[NH2+][C@H](C)CCN2CC[NH+](C)CC2)c1 ZINC000349314710 285829557 /nfs/dbraw/zinc/82/95/57/285829557.db2.gz RTEBCBIQHLKDPW-MSOLQXFVSA-N 2 0 303.494 2.980 20 0 DFADRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+][C@@H]1CCCc2sccc21 ZINC000349357590 285845463 /nfs/dbraw/zinc/84/54/63/285845463.db2.gz UMLGITLBNNVERR-GDBMZVCRSA-N 2 0 307.507 2.741 20 0 DFADRP CCCn1nccc1CNCCC[N@H+](C)Cc1ccccc1 ZINC000381787626 543298203 /nfs/dbraw/zinc/29/82/03/543298203.db2.gz IXGSSEBYIIGJHQ-UHFFFAOYSA-N 2 0 300.450 2.905 20 0 DFADRP C[C@H]([NH2+][C@H]1CCCN(C)C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000381802328 543298278 /nfs/dbraw/zinc/29/82/78/543298278.db2.gz UOGITISPMPBAHK-UHOSZYNNSA-N 2 0 301.478 2.581 20 0 DFADRP CCCN1CC[C@H]([NH2+][C@@H](C)Cc2ccc(OC)c(OC)c2)C1 ZINC000389160662 543303658 /nfs/dbraw/zinc/30/36/58/543303658.db2.gz AKBKDVGUIWJRJB-HOCLYGCPSA-N 2 0 306.450 2.709 20 0 DFADRP C[C@H]([NH2+]C[C@H]1CC[N@H+](CCc2ccccc2)C1)C1CCOCC1 ZINC000165347364 145229862 /nfs/dbraw/zinc/22/98/62/145229862.db2.gz JCAVKIUHBRDUSB-PKOBYXMFSA-N 2 0 316.489 2.956 20 0 DFADRP C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)[C@@H]([NH3+])C(C)(C)C)CC1 ZINC000167793389 145242355 /nfs/dbraw/zinc/24/23/55/145242355.db2.gz USQZXMHOOHHBNZ-WMLDXEAASA-N 2 0 317.477 2.702 20 0 DFADRP C[C@H]([NH3+])[C@H]1CCN(Cc2cc(Cl)c3c(c2)OCCCO3)C1 ZINC000168684608 145244814 /nfs/dbraw/zinc/24/48/14/145244814.db2.gz VOCVTAKSGJHJDE-AAEUAGOBSA-N 2 0 310.825 2.670 20 0 DFADRP CC(C)C[C@H](C)N(C)C(=O)C[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000171385988 145263613 /nfs/dbraw/zinc/26/36/13/145263613.db2.gz WEGWRUFTQFJEQX-KRWDZBQOSA-N 2 0 323.525 2.687 20 0 DFADRP [NH3+]CCC[N@@H+]1CCC[C@@H](Nc2cccc(Br)c2)C1 ZINC000414752133 543327252 /nfs/dbraw/zinc/32/72/52/543327252.db2.gz KAJRWVHELPSQFD-CQSZACIVSA-N 2 0 312.255 2.674 20 0 DFADRP [NH3+][C@@H]1CCC[C@H]([NH2+]Cc2ccc(OC[C@H]3CCCO3)cc2)C1 ZINC000414907708 543327723 /nfs/dbraw/zinc/32/77/23/543327723.db2.gz AVEOUCSUZHJFGD-SOLBZPMBSA-N 2 0 304.434 2.604 20 0 DFADRP C[NH2+]C[C@H](C)C[NH2+]Cc1ccc(Br)c2cccnc12 ZINC000414850269 543327853 /nfs/dbraw/zinc/32/78/53/543327853.db2.gz ZECQCIKSTYEQEJ-NSHDSACASA-N 2 0 322.250 2.942 20 0 DFADRP [NH3+][C@@H]1CCC[C@H]([NH2+]Cc2c[nH]nc2-c2c(F)cccc2F)C1 ZINC000414931381 543328363 /nfs/dbraw/zinc/32/83/63/543328363.db2.gz UMQWTCOQCJQNKH-NEPJUHHUSA-N 2 0 306.360 2.714 20 0 DFADRP COC(=O)c1oc(CN2CCC[C@@H]([NH+]3CCCC3)CC2)cc1C ZINC000172576020 145307575 /nfs/dbraw/zinc/30/75/75/145307575.db2.gz GWUKDZNUEOLDSA-OAHLLOKOSA-N 2 0 320.433 2.825 20 0 DFADRP [NH3+]CCC[NH2+]CC1(c2cccc(C(F)(F)F)c2)CCOCC1 ZINC000415091220 543328788 /nfs/dbraw/zinc/32/87/88/543328788.db2.gz PZAVSCVTVXYWHM-UHFFFAOYSA-N 2 0 316.367 2.692 20 0 DFADRP COc1cc([C@@H](C)[NH2+]CCC[NH3+])ccc1OCc1ccncc1 ZINC000415092276 543328929 /nfs/dbraw/zinc/32/89/29/543328929.db2.gz SMIKUTYTWDVBJP-CQSZACIVSA-N 2 0 315.417 2.669 20 0 DFADRP CCn1ccnc1CN1CCC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000172669334 145311572 /nfs/dbraw/zinc/31/15/72/145311572.db2.gz PSYNPIJOAWSHHK-KRWDZBQOSA-N 2 0 312.461 2.999 20 0 DFADRP CC(C)CCC[C@H](C)NC(=O)CN(C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000173528386 145346973 /nfs/dbraw/zinc/34/69/73/145346973.db2.gz RTDFHNOJVKZLIL-BBWFWOEESA-N 2 0 311.514 2.732 20 0 DFADRP C[C@H]1C[NH+](Cc2ccccc2C[NH2+]C2CCOCC2)C[C@H](C)O1 ZINC000174293751 145374963 /nfs/dbraw/zinc/37/49/63/145374963.db2.gz NDDKMROIIPWUDS-HOTGVXAUSA-N 2 0 318.461 2.564 20 0 DFADRP CC[N@H+](CCCNC(=O)N(C)Cc1ncc[nH]1)C1CCCCC1 ZINC000633332689 399887431 /nfs/dbraw/zinc/88/74/31/399887431.db2.gz BWJOIQYTYQXGAF-UHFFFAOYSA-N 2 0 321.469 2.596 20 0 DFADRP C[C@H]([NH3+])c1ccc(-c2ccc3c(c2)CC[C@@]([NH3+])(CO)C3)cc1F ZINC000630501237 399895490 /nfs/dbraw/zinc/89/54/90/399895490.db2.gz QEMGJZCUACVPQH-BUXKBTBVSA-N 2 0 314.404 2.691 20 0 DFADRP [NH3+]C[C@@H]1CC[C@@H](Nc2nccc(N3Cc4ccccc4C3)n2)C1 ZINC000630513693 399897288 /nfs/dbraw/zinc/89/72/88/399897288.db2.gz FSAADFMQEKHLOJ-CZUORRHYSA-N 2 0 309.417 2.536 20 0 DFADRP C[C@@H](C(=O)N1CCC(C)([NH+]2CCCC2)CC1)[NH+]1CCCCCC1 ZINC000633943355 399963220 /nfs/dbraw/zinc/96/32/20/399963220.db2.gz JMTONGAYRLWJHN-KRWDZBQOSA-N 2 0 321.509 2.728 20 0 DFADRP CC[N@@H+]1CCCC[C@H]1C(=O)N1CCC(CC)([NH+]2CCCC2)CC1 ZINC000633953363 399965066 /nfs/dbraw/zinc/96/50/66/399965066.db2.gz GQMHMDSCDCDRHM-KRWDZBQOSA-N 2 0 321.509 2.728 20 0 DFADRP CC[NH+](CC)CCC[NH2+]C1CCN(c2ccccc2OC)CC1 ZINC000631030033 399965379 /nfs/dbraw/zinc/96/53/79/399965379.db2.gz LGVSWKGNDOBANH-UHFFFAOYSA-N 2 0 319.493 2.986 20 0 DFADRP OC1CC[NH+](CCC[NH2+]Cc2ccc(F)c3ccccc23)CC1 ZINC000631049444 399969209 /nfs/dbraw/zinc/96/92/09/399969209.db2.gz GRKPGVWMJSIXAS-UHFFFAOYSA-N 2 0 316.420 2.915 20 0 DFADRP O=c1ccc(C[NH2+]CC2CC[NH+](Cc3cccs3)CC2)c[nH]1 ZINC000631056979 399971093 /nfs/dbraw/zinc/97/10/93/399971093.db2.gz PRZXRQCLXZUWEH-UHFFFAOYSA-N 2 0 317.458 2.851 20 0 DFADRP COc1cc(Cl)c(CN[C@@H]2CC[N@H+](C)[C@H](C)C2)cc1OC ZINC000631080474 399976627 /nfs/dbraw/zinc/97/66/27/399976627.db2.gz QRQUFINYLXIVMX-DGCLKSJQSA-N 2 0 312.841 2.930 20 0 DFADRP Cc1scc(C[NH2+]C2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)c1C ZINC000631090615 399978968 /nfs/dbraw/zinc/97/89/68/399978968.db2.gz HMFAQXDSAAYSFW-SJORKVTESA-N 2 0 308.491 2.832 20 0 DFADRP C[C@H]([NH2+]CC1CC[NH+](CCO)CC1)c1ccc2ccccc2n1 ZINC000177880821 145494457 /nfs/dbraw/zinc/49/44/57/145494457.db2.gz XRLCNBDWHYXDIR-HNNXBMFYSA-N 2 0 313.445 2.590 20 0 DFADRP CCC(C)(C)[NH2+][C@H](C)C(=O)NC[C@H]1CC[N@@H+]1C1CCCCC1 ZINC000628544329 400039454 /nfs/dbraw/zinc/03/94/54/400039454.db2.gz DLXBOLRBHRAUMO-GDBMZVCRSA-N 2 0 309.498 2.676 20 0 DFADRP CCC1([NH+](C)C)CCN(C(=O)C2(C[NH+](C)C)CCCCC2)CC1 ZINC000634123354 399985736 /nfs/dbraw/zinc/98/57/36/399985736.db2.gz ISFQOXDOJJQODQ-UHFFFAOYSA-N 2 0 323.525 2.831 20 0 DFADRP Cc1nn(C)cc1C[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000631196194 400001486 /nfs/dbraw/zinc/00/14/86/400001486.db2.gz OOBNATLSUINYJT-CRAIPNDOSA-N 2 0 312.461 2.586 20 0 DFADRP Cc1ccc([C@@H](C)C[NH2+][C@H](C)CCN2CC[NH+](C)CC2)cc1 ZINC000628240407 400006595 /nfs/dbraw/zinc/00/65/95/400006595.db2.gz CUDGBQZCSROGNH-ZWKOTPCHSA-N 2 0 303.494 2.714 20 0 DFADRP C[N@@H+]1CC[C@H](N(CC[NH3+])c2ccc3ccccc3n2)CC1(C)C ZINC000628310364 400018162 /nfs/dbraw/zinc/01/81/62/400018162.db2.gz ADZYAIBNEXSBJM-INIZCTEOSA-N 2 0 312.461 2.873 20 0 DFADRP c1nc(C2CC2)oc1C[NH2+]CC1CC[NH+](C2CCOCC2)CC1 ZINC000628336627 400022502 /nfs/dbraw/zinc/02/25/02/400022502.db2.gz LKPQKFNWHKDLPS-UHFFFAOYSA-N 2 0 319.449 2.533 20 0 DFADRP CC[N@H+](C)[C@H](C(=O)NC[C@H]1CCCC[NH+](C)C1)c1ccccc1 ZINC000628757219 400053993 /nfs/dbraw/zinc/05/39/93/400053993.db2.gz ZZNVCVDGINIBJR-AEFFLSMTSA-N 2 0 317.477 2.528 20 0 DFADRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@H]1CCc2cc(OC)ccc21 ZINC000631586803 400055258 /nfs/dbraw/zinc/05/52/58/400055258.db2.gz JTSBJZIADNRSRZ-AEFFLSMTSA-N 2 0 306.450 2.629 20 0 DFADRP C[C@H](CCc1c[nH]c2ccccc12)[NH2+]CCOCC[NH+](C)C ZINC000631621634 400059039 /nfs/dbraw/zinc/05/90/39/400059039.db2.gz QCJXNCMHUDYEEY-OAHLLOKOSA-N 2 0 303.450 2.657 20 0 DFADRP CCOC1CC([NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)C1 ZINC000631661641 400063311 /nfs/dbraw/zinc/06/33/11/400063311.db2.gz ARHBNIBJUYBVCI-BJMVHTGZSA-N 2 0 302.462 2.912 20 0 DFADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1CN[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000631661626 400063507 /nfs/dbraw/zinc/06/35/07/400063507.db2.gz AMRKBJGQDQGLIO-IZBJGVDFSA-N 2 0 315.505 2.827 20 0 DFADRP OC[C@H]1C[C@@H]([NH2+][C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)C1 ZINC000631669668 400064593 /nfs/dbraw/zinc/06/45/93/400064593.db2.gz JGYNCLVJVAUWGX-OUUBHVDSSA-N 2 0 314.473 2.648 20 0 DFADRP OC[C@H]1C[C@@H]([NH2+][C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)C1 ZINC000631669672 400064703 /nfs/dbraw/zinc/06/47/03/400064703.db2.gz JGYNCLVJVAUWGX-UHZRXMQZSA-N 2 0 314.473 2.648 20 0 DFADRP C[C@H]([NH2+]CC[C@H](O)C(F)F)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000631698598 400067983 /nfs/dbraw/zinc/06/79/83/400067983.db2.gz GIANFYIAUHXJHK-BPUTZDHNSA-N 2 0 312.404 2.503 20 0 DFADRP c1cc(C[NH2+]C2CC[NH+](CC3CC3)CC2)c2c(c1)COCC2 ZINC000631729017 400070663 /nfs/dbraw/zinc/07/06/63/400070663.db2.gz DHNLXKHORWHDRH-UHFFFAOYSA-N 2 0 300.446 2.723 20 0 DFADRP C[C@@H]1OCC[C@H]1C[N@H+](Cc1nccs1)[C@@H]1CC12CC[NH2+]CC2 ZINC000631824699 400077710 /nfs/dbraw/zinc/07/77/10/400077710.db2.gz MXZZKTHVJMSKKK-SOUVJXGZSA-N 2 0 321.490 2.512 20 0 DFADRP c1cc(C[N@@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)c2c(c1)COCC2 ZINC000631826754 400077947 /nfs/dbraw/zinc/07/79/47/400077947.db2.gz WIXRONUJVALTAD-DLBZAZTESA-N 2 0 314.473 2.971 20 0 DFADRP [NH3+][C@@H]1CCCO[C@@H]1C1CC[NH+](C[C@H]2CCC(F)(F)C2)CC1 ZINC000631828445 400078202 /nfs/dbraw/zinc/07/82/02/400078202.db2.gz PEBHSONBYMSTCC-NWANDNLSSA-N 2 0 302.409 2.640 20 0 DFADRP C[C@@H]1C[N@H+](Cc2ccc(OCc3ccncc3)cc2)C[C@@H]1C[NH3+] ZINC000631840903 400079014 /nfs/dbraw/zinc/07/90/14/400079014.db2.gz VZOBJEVXDROQAK-QAPCUYQASA-N 2 0 311.429 2.687 20 0 DFADRP CC[C@H](NC[C@H]1CCC[NH2+]1)[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000496282754 300040505 /nfs/dbraw/zinc/04/05/05/300040505.db2.gz KJIDCCXPXJIZOW-QLFBSQMISA-N 2 0 311.470 2.506 20 0 DFADRP CCN(C)c1ccc(C[NH+]2CCC(CC[NH+](C)C)CC2)cn1 ZINC000191267125 145884263 /nfs/dbraw/zinc/88/42/63/145884263.db2.gz FUJZKXPPZXNWNY-UHFFFAOYSA-N 2 0 304.482 2.701 20 0 DFADRP COC[C@@H](CCC[NH3+])[NH2+][C@@H](C)c1cccc(Br)c1 ZINC000234741214 146018245 /nfs/dbraw/zinc/01/82/45/146018245.db2.gz MQOMVAZXWNBEKQ-SMDDNHRTSA-N 2 0 315.255 2.854 20 0 DFADRP CC(C)[N@H+](C)Cc1cccc(CNC(=O)CC2CC[NH2+]CC2)c1 ZINC000236663144 146023398 /nfs/dbraw/zinc/02/33/98/146023398.db2.gz WOCZIAGKPOSXLP-UHFFFAOYSA-N 2 0 317.477 2.533 20 0 DFADRP CCCC[C@@H]([NH3+])C(=O)N(CC)Cc1ccc(C[NH+](C)C)cc1 ZINC000236695924 146024331 /nfs/dbraw/zinc/02/43/31/146024331.db2.gz UFJGHVSZCKCFAK-QGZVFWFLSA-N 2 0 305.466 2.614 20 0 DFADRP CCCC[C@H]([NH3+])C(=O)NCC(C)(C)[NH2+][C@H](C)c1ccccc1 ZINC000236788964 146027397 /nfs/dbraw/zinc/02/73/97/146027397.db2.gz WUXZOTDWEKEAJX-ZBFHGGJFSA-N 2 0 305.466 2.750 20 0 DFADRP Brc1ccc(CN2CCC[C@@H]2Cn2ccnc2)nc1 ZINC000437982936 543352633 /nfs/dbraw/zinc/35/26/33/543352633.db2.gz GKXDXSGSRXRKGE-CQSZACIVSA-N 2 0 321.222 2.705 20 0 DFADRP CC[NH+](CC)CCCN[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000236854440 146030229 /nfs/dbraw/zinc/03/02/29/146030229.db2.gz YUMWHAHCRHZPJT-IBGZPJMESA-N 2 0 303.494 2.973 20 0 DFADRP C[C@](O)(C[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1)c1ccccc1 ZINC000245458684 146073567 /nfs/dbraw/zinc/07/35/67/146073567.db2.gz UZUZANBMSBKTQA-HKUYNNGSSA-N 2 0 302.462 2.702 20 0 DFADRP CC[N@H+](C)CCN[C@@H]1C[C@H]2CC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC000245682846 146093492 /nfs/dbraw/zinc/09/34/92/146093492.db2.gz JDEDNHLNKLCKGV-LDLYASANSA-N 2 0 301.478 2.723 20 0 DFADRP CC[NH+](CC)[C@H](C(=O)N[C@@H]1CCC[N@H+](CC)C1)c1ccccc1 ZINC000245906626 146107965 /nfs/dbraw/zinc/10/79/65/146107965.db2.gz NASWGGMFXUCZGM-MSOLQXFVSA-N 2 0 317.477 2.670 20 0 DFADRP CC[N@@H+]1CC[C@@H]([NH2+]CCCc2nc3ccccc3[nH]2)[C@@H](C)C1 ZINC000247136951 146163511 /nfs/dbraw/zinc/16/35/11/146163511.db2.gz SAUKSCYLXPYVBL-LSDHHAIUSA-N 2 0 300.450 2.815 20 0 DFADRP C[C@H]([NH2+][C@@H]1C[C@@H]2OCCC[C@H]12)c1ccc(OCC[NH+](C)C)cc1 ZINC000251515999 146213346 /nfs/dbraw/zinc/21/33/46/146213346.db2.gz CJMHACVAQXSVFY-PIKADFDJSA-N 2 0 318.461 2.845 20 0 DFADRP C[C@H]([NH2+]C[C@@H]1CCCC[C@H]1O)c1ccc(OCC[NH+](C)C)cc1 ZINC000252696312 146222182 /nfs/dbraw/zinc/22/21/82/146222182.db2.gz ZHOBZMBTBPTZHD-VDZJLULYSA-N 2 0 320.477 2.829 20 0 DFADRP CC[NH+](C/C=C\C[N@@H+](CC)C[C@@H]1CCCO1)C[C@@H]1CCCO1 ZINC000255888546 146234869 /nfs/dbraw/zinc/23/48/69/146234869.db2.gz OTQQIHSDVNGQOU-SLXDBMQSSA-N 2 0 310.482 2.544 20 0 DFADRP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000261551695 146239174 /nfs/dbraw/zinc/23/91/74/146239174.db2.gz QVIQYTPVPWICBW-CEXWTWQISA-N 3 0 301.478 2.616 20 0 DFADRP c1ccc(CN2CC[C@H]([NH2+][C@@H]3CCC[C@H]3[C@H]3CCC[NH2+]3)C2)cc1 ZINC000261546038 146239978 /nfs/dbraw/zinc/23/99/78/146239978.db2.gz KPSBTPMYNTZFPN-VNTMZGSJSA-N 2 0 313.489 2.771 20 0 DFADRP [NH3+][C@@H]1CCC[C@H]([NH2+][C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]23)C1 ZINC000261559727 146240537 /nfs/dbraw/zinc/24/05/37/146240537.db2.gz ZGXZLSPBKDJYIQ-OUUBHVDSSA-N 3 0 313.489 2.757 20 0 DFADRP C[N@H+](CC[C@@H]1CCC[NH2+]C1)C1CCN(Cc2ccccc2)CC1 ZINC000261557571 146241065 /nfs/dbraw/zinc/24/10/65/146241065.db2.gz XLVPCKZVILFRSF-SFHVURJKSA-N 2 0 315.505 2.973 20 0 DFADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CCCN(Cc2ccccc2)C1 ZINC000261557891 146241568 /nfs/dbraw/zinc/24/15/68/146241568.db2.gz XUNGPLRXHAOUDC-FHWLQOOXSA-N 2 0 301.478 2.758 20 0 DFADRP COc1cccc(-c2nc(CN3CC[C@@](C)(C[NH3+])C3)cs2)c1 ZINC000261605550 146245644 /nfs/dbraw/zinc/24/56/44/146245644.db2.gz AMRWVUAQZRBSOB-KRWDZBQOSA-N 2 0 317.458 2.989 20 0 DFADRP c1cnn(-c2ccc(C[NH+]3CCC([C@H]4CCC[NH2+]4)CC3)cc2)c1 ZINC000261615939 146246943 /nfs/dbraw/zinc/24/69/43/146246943.db2.gz AEHXIPRJENWHSB-LJQANCHMSA-N 2 0 310.445 2.836 20 0 DFADRP C[C@H]1CN(CCC(=O)Nc2cc(Cl)ccc2Cl)C[C@H]1[NH3+] ZINC000261632331 146250672 /nfs/dbraw/zinc/25/06/72/146250672.db2.gz CVNFMOUTXRXRPN-JOYOIKCWSA-N 2 0 316.232 2.601 20 0 DFADRP COc1ccc(-c2ccncc2)cc1C[N@@H+]1CC[C@](C)(C[NH3+])C1 ZINC000261651872 146253483 /nfs/dbraw/zinc/25/34/83/146253483.db2.gz HKVUVWVHKIRDLQ-LJQANCHMSA-N 2 0 311.429 2.928 20 0 DFADRP C[N@H+](CCc1ccc(Br)cc1)C[C@]1(C)CC[NH2+]C1 ZINC000261705748 146261991 /nfs/dbraw/zinc/26/19/91/146261991.db2.gz DBMWLDZGNFFPAT-OAHLLOKOSA-N 2 0 311.267 2.923 20 0 DFADRP C[C@@H]([NH2+]C1(CNC(=O)C[C@H](C)[NH3+])CCCC1)c1ccccc1 ZINC000261713552 146263351 /nfs/dbraw/zinc/26/33/51/146263351.db2.gz DPYDISLEBVBRFS-LSDHHAIUSA-N 2 0 303.450 2.504 20 0 DFADRP c1cc2c(cc1C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1)OCCO2 ZINC000261713481 146263843 /nfs/dbraw/zinc/26/38/43/146263843.db2.gz LJLQPOCPTPZSBK-IXDOHACOSA-N 2 0 316.445 2.858 20 0 DFADRP O=C(CC[C@@H]1CC[NH2+]C1)NCC1([NH+]2CCCCC2)CCCCC1 ZINC000261718306 146265194 /nfs/dbraw/zinc/26/51/94/146265194.db2.gz LTDFWZCISUTFNX-QGZVFWFLSA-N 2 0 321.509 2.681 20 0 DFADRP O=C(C[C@@H]1CCC[N@@H+]1C[C@@H]1CCC[NH2+]C1)c1ccc(F)cc1 ZINC000261751414 146270845 /nfs/dbraw/zinc/27/08/45/146270845.db2.gz CEQCDPYLOXJQDZ-PBHICJAKSA-N 2 0 304.409 2.863 20 0 DFADRP CC1CCN(C(=[NH2+])NCC2([NH+]3CCSCC3)CCCC2)CC1 ZINC000261759690 146272178 /nfs/dbraw/zinc/27/21/78/146272178.db2.gz LDVXOBUVLYQAGJ-UHFFFAOYSA-N 2 0 324.538 2.604 20 0 DFADRP C[C@@H]([NH3+])[C@H]1CCCCN1Cc1cnn(Cc2ccc(F)cc2)c1 ZINC000261767906 146273448 /nfs/dbraw/zinc/27/34/48/146273448.db2.gz MHOIWBNOGIJZIT-RDTXWAMCSA-N 2 0 316.424 2.772 20 0 DFADRP [NH3+][C@@H]1CC[C@H]2C[N@H+](Cc3cccc(OC(F)(F)F)c3)C[C@@H]12 ZINC000261773621 146274890 /nfs/dbraw/zinc/27/48/90/146274890.db2.gz WFDPWWWRSOESFJ-IACUBPJLSA-N 2 0 300.324 2.754 20 0 DFADRP CN1CCN(C(=O)C[C@@H]([NH3+])c2ccccc2)[C@@H](c2ccccc2)C1 ZINC000261808392 146279842 /nfs/dbraw/zinc/27/98/42/146279842.db2.gz GDKSBAVCXHACKN-RTBURBONSA-N 2 0 323.440 2.592 20 0 DFADRP C[C@@H]([NH3+])CC(=O)NCc1ccccc1C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000261814185 146281129 /nfs/dbraw/zinc/28/11/29/146281129.db2.gz MALSKJNQHAACDZ-OWCLPIDISA-N 2 0 317.477 2.518 20 0 DFADRP CN(CC(C)(C)[NH3+])[C@H]1CCOc2ccc(Br)cc21 ZINC000261820617 146282781 /nfs/dbraw/zinc/28/27/81/146282781.db2.gz QMWDFLWGWUPSCL-LBPRGKRZSA-N 2 0 313.239 2.942 20 0 DFADRP O=C(c1ccc(F)cc1)C1CC[NH+](CC2CC[NH2+]CC2)CC1 ZINC000261827362 146284545 /nfs/dbraw/zinc/28/45/45/146284545.db2.gz ITCZVWBAABIIAZ-UHFFFAOYSA-N 2 0 304.409 2.720 20 0 DFADRP CC(C)C[N@H+](C[C@@H](O)c1ccc(F)cc1)C[C@@]1(C)CC[NH2+]C1 ZINC000261912097 146299870 /nfs/dbraw/zinc/29/98/70/146299870.db2.gz YMLYGPXHGVQMBR-MSOLQXFVSA-N 2 0 308.441 2.817 20 0 DFADRP C[C@@H]([NH3+])C1CC[NH+](Cc2ccnn2-c2ccc(F)cc2)CC1 ZINC000261914576 146300759 /nfs/dbraw/zinc/30/07/59/146300759.db2.gz JPYVJWSEFDPXIA-CYBMUJFWSA-N 2 0 302.397 2.571 20 0 DFADRP CC(C)c1ccc(NC(=O)C[NH+]2CCC([C@H](C)[NH3+])CC2)cc1 ZINC000261927383 146304666 /nfs/dbraw/zinc/30/46/66/146304666.db2.gz IVILGGFOCUSVJN-AWEZNQCLSA-N 2 0 303.450 2.808 20 0 DFADRP [NH3+][C@@H]1CCC[C@H]2CN(Cc3nc4ccc(F)cc4s3)C[C@@H]21 ZINC000261952957 146308990 /nfs/dbraw/zinc/30/89/90/146308990.db2.gz OEJHMGSSAFOABE-WCFLWFBJSA-N 2 0 305.422 2.995 20 0 DFADRP C[NH2+]CCC1CC[NH+]([C@H](C)C(=O)Nc2ccc(C)c(C)c2)CC1 ZINC000261976887 146313179 /nfs/dbraw/zinc/31/31/79/146313179.db2.gz GHTTXMWQLDVDSI-MRXNPFEDSA-N 2 0 317.477 2.952 20 0 DFADRP CC[N@H+](CCC1CC[NH+](C[C@@]2(C)CC[NH2+]C2)CC1)CC1CC1 ZINC000261978948 146313863 /nfs/dbraw/zinc/31/38/63/146313863.db2.gz IYSYZYGJMVMSID-IBGZPJMESA-N 2 0 307.526 2.820 20 0 DFADRP CCOc1cc(C[N@@H+]2CCC3(C2)CC[NH2+]CC3)ccc1OC ZINC000261992933 146319273 /nfs/dbraw/zinc/31/92/73/146319273.db2.gz KLTUWBDFKXFJCS-UHFFFAOYSA-N 2 0 304.434 2.669 20 0 DFADRP COc1ccc(C[N@@H+]2CCC[C@H](CC[NH3+])C2)cc1OC(F)F ZINC000262019490 146323594 /nfs/dbraw/zinc/32/35/94/146323594.db2.gz XIUUNEZMECQHDE-GFCCVEGCSA-N 2 0 314.376 2.857 20 0 DFADRP FC(F)(F)[C@@H]1CCC[C@H]([NH2+][C@@H]2CCC[C@@H]2[C@H]2COCCN2)C1 ZINC000262038462 146325788 /nfs/dbraw/zinc/32/57/88/146325788.db2.gz YGESVIRWWPPORW-GZBLMMOJSA-N 2 0 320.399 2.854 20 0 DFADRP FC(F)(F)[C@@H]1CCC[C@H]([NH2+][C@@H]2CCC[C@H]2[C@@H]2COCCN2)C1 ZINC000262038463 146326109 /nfs/dbraw/zinc/32/61/09/146326109.db2.gz YGESVIRWWPPORW-KHMAMNHCSA-N 2 0 320.399 2.854 20 0 DFADRP C[C@@H]1CN(Cc2ccc(-n3cnc4ccccc43)cc2)C[C@H]1[NH3+] ZINC000262037139 146326147 /nfs/dbraw/zinc/32/61/47/146326147.db2.gz OTCSPXVLZVIWEZ-RHSMWYFYSA-N 2 0 306.413 2.805 20 0 DFADRP Cn1cc(-c2ccc(C[N@@H+]3CCC4(C3)CC[NH2+]CC4)s2)cn1 ZINC000262050878 146326916 /nfs/dbraw/zinc/32/69/16/146326916.db2.gz QEPSOTLOFZQIAM-UHFFFAOYSA-N 2 0 316.474 2.724 20 0 DFADRP C[C@@H]([NH3+])C1CC[NH+](CCOc2ccc(F)cc2Cl)CC1 ZINC000262184248 146340605 /nfs/dbraw/zinc/34/06/05/146340605.db2.gz XHIUJAXMRMQSCN-LLVKDONJSA-N 2 0 300.805 2.917 20 0 DFADRP FC(F)(F)c1cc([C@@H]2CCC[N@H+](CC3CC[NH2+]CC3)C2)[nH]n1 ZINC000262224160 146343678 /nfs/dbraw/zinc/34/36/78/146343678.db2.gz NAKPPRFUHLGERX-GFCCVEGCSA-N 2 0 316.371 2.608 20 0 DFADRP [NH3+]C[C@@H]1C[N@H+](CCOc2ccccc2F)C[C@H]1c1ccccc1 ZINC000262281127 146348040 /nfs/dbraw/zinc/34/80/40/146348040.db2.gz UQAUKVCWXJYCLP-SJORKVTESA-N 2 0 314.404 2.879 20 0 DFADRP CN(C)[C@H](C[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1)c1ccco1 ZINC000262344841 146352792 /nfs/dbraw/zinc/35/27/92/146352792.db2.gz UUMNQIRABAZFKH-QBPKDAKJSA-N 2 0 305.466 2.783 20 0 DFADRP C[NH2+]CCC1CC[NH+](CCC(=O)Nc2ccccc2Cl)CC1 ZINC000262374166 146354759 /nfs/dbraw/zinc/35/47/59/146354759.db2.gz XWALJDBFQZPVAF-UHFFFAOYSA-N 2 0 323.868 2.990 20 0 DFADRP C[C@H](C(=O)N(CCC[NH3+])Cc1ccccc1)[NH+]1CCCCCC1 ZINC000262495656 146364466 /nfs/dbraw/zinc/36/44/66/146364466.db2.gz WHLMISWCJVYVQY-QGZVFWFLSA-N 2 0 317.477 2.629 20 0 DFADRP Fc1ccc(-c2nc(CN3CC[C@H]4C[NH2+]C[C@H]4C3)co2)cc1 ZINC000262534951 146369423 /nfs/dbraw/zinc/36/94/23/146369423.db2.gz QGFBTVYIMONUJZ-KBPBESRZSA-N 2 0 301.365 2.522 20 0 DFADRP CCC[C@](C)([NH3+])C(=O)N1CCC[C@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000262710871 146384012 /nfs/dbraw/zinc/38/40/12/146384012.db2.gz QLDJYTXYFFMQJZ-JZXOWHBKSA-N 2 0 309.498 2.617 20 0 DFADRP C[NH+](C)[C@H](CNC(=O)[C@H]1CCCC[C@@]1(C)[NH3+])C1CCCCC1 ZINC000263065395 146413522 /nfs/dbraw/zinc/41/35/22/146413522.db2.gz VWBGHRFBRYSDNM-JFIYKMOQSA-N 2 0 309.498 2.521 20 0 DFADRP CCc1ccc(NC(=O)[C@H](C)[NH+]2CCC(C[NH+](C)C)CC2)cc1 ZINC000354404817 147024799 /nfs/dbraw/zinc/02/47/99/147024799.db2.gz JMAOGQITYRXEBS-HNNXBMFYSA-N 2 0 317.477 2.850 20 0 DFADRP Cc1ccc(NC(=O)[C@H](C)[NH+]2CCC(C[NH+](C)C)CC2)c(C)c1 ZINC000354504265 147061234 /nfs/dbraw/zinc/06/12/34/147061234.db2.gz ROMKTXOPPJHTBT-INIZCTEOSA-N 2 0 317.477 2.904 20 0 DFADRP CC[N@@H+]1CC[C@H]([NH+](C)C[C@H](O)COc2cccc(C)c2)C[C@H]1C ZINC000354533412 147070269 /nfs/dbraw/zinc/07/02/69/147070269.db2.gz COOBCLWNUYLOEB-SQNIBIBYSA-N 2 0 320.477 2.539 20 0 DFADRP CC[NH+]1CCN(c2ccc(C[NH2+][C@H]3CC[C@H]3C(C)C)cn2)CC1 ZINC000514099362 543422113 /nfs/dbraw/zinc/42/21/13/543422113.db2.gz NNUYYWLSOKZBRR-ROUUACIJSA-N 2 0 316.493 2.748 20 0 DFADRP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)NCC[NH+]1CC=C(C(C)(C)C)CC1 ZINC000354874611 147186451 /nfs/dbraw/zinc/18/64/51/147186451.db2.gz ACRZXCRFWGCPSX-IYBDPMFKSA-N 2 0 321.509 2.654 20 0 DFADRP C[C@H]([NH2+]C[C@H]1CC[N@H+](Cc2ccccc2)C1)[C@@H]1CCCOC1 ZINC000355228726 147231995 /nfs/dbraw/zinc/23/19/95/147231995.db2.gz WQNOYJZORHUGQJ-QXAKKESOSA-N 2 0 302.462 2.913 20 0 DFADRP Cc1ccc([C@H](CNC(=O)C[NH+]2[C@H](C)CC[C@H]2C)[NH+](C)C)cc1 ZINC000355410019 147305384 /nfs/dbraw/zinc/30/53/84/147305384.db2.gz NSGIPTZSGGFIIN-NUJGCVRESA-N 2 0 317.477 2.587 20 0 DFADRP COc1c[nH+]ccc1N1CC[NH+](Cc2sccc2C)CC1 ZINC000355650354 147397722 /nfs/dbraw/zinc/39/77/22/147397722.db2.gz NHHLSIYYWQSPPR-UHFFFAOYSA-N 2 0 303.431 2.782 20 0 DFADRP CC(C)[C@@H]1[NH2+]CC[C@H]1c1nc(-c2ccc(C[NH+](C)C)cc2)no1 ZINC000356881312 147838222 /nfs/dbraw/zinc/83/82/22/147838222.db2.gz HSRLOKLIBHSRJW-CVEARBPZSA-N 2 0 314.433 2.900 20 0 DFADRP CCC(C)(C)[NH2+][C@H](C)C(=O)N[C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000357718203 148095938 /nfs/dbraw/zinc/09/59/38/148095938.db2.gz WKBWTFXNBSPLNC-BZUAXINKSA-N 2 0 323.525 2.922 20 0 DFADRP C[C@H](C[NH2+]Cc1cc(C2CC[NH2+]CC2)no1)Oc1ccccc1 ZINC000425894939 296603136 /nfs/dbraw/zinc/60/31/36/296603136.db2.gz HRQWMFVHIQAEGO-CQSZACIVSA-N 2 0 315.417 2.699 20 0 DFADRP CCCCNC(=O)c1ccc(C[NH2+][C@H]2CC[N@H+](C)C[C@@H]2C)cc1 ZINC000358000091 148205006 /nfs/dbraw/zinc/20/50/06/148205006.db2.gz BISRTLHJTKARRB-YJBOKZPZSA-N 2 0 317.477 2.646 20 0 DFADRP Cc1cc(F)ccc1CC[NH2+]Cc1cc(C2CC[NH2+]CC2)no1 ZINC000425894165 296603456 /nfs/dbraw/zinc/60/34/56/296603456.db2.gz FSNJDJHEVAYCTQ-UHFFFAOYSA-N 2 0 317.408 2.921 20 0 DFADRP C[C@H]1C[N@H+](C)CC[C@H]1[NH2+]CCc1nc(-c2ccccn2)cs1 ZINC000358048711 148225879 /nfs/dbraw/zinc/22/58/79/148225879.db2.gz PYIWJSCQHPEAFU-UONOGXRCSA-N 2 0 316.474 2.677 20 0 DFADRP CC(C)[N@H+](C)Cc1cccc(C[NH2+][C@@H]2CC[NH+](C)C[C@@H]2C)c1 ZINC000358067082 148231221 /nfs/dbraw/zinc/23/12/21/148231221.db2.gz WGZIWECNGXFCAR-QFBILLFUSA-N 3 0 303.494 2.957 20 0 DFADRP CC(C)[N@H+](C)Cc1cccc(C[NH2+][C@H]2CC[NH+](C)C[C@H]2C)c1 ZINC000358067077 148231701 /nfs/dbraw/zinc/23/17/01/148231701.db2.gz WGZIWECNGXFCAR-APWZRJJASA-N 3 0 303.494 2.957 20 0 DFADRP CSc1ccccc1C[N@H+](C)CCN(C)C1CC[NH+](C)CC1 ZINC000358074442 148234276 /nfs/dbraw/zinc/23/42/76/148234276.db2.gz HBNQRFNDBZXFRO-UHFFFAOYSA-N 2 0 321.534 2.866 20 0 DFADRP C[C@H](NC(=O)C[NH+]1[C@H](C)CC[C@H]1C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000358110568 148247916 /nfs/dbraw/zinc/24/79/16/148247916.db2.gz KNCBUJHRUZGCQF-NCOADZHNSA-N 2 0 321.509 2.628 20 0 DFADRP Fc1ccc(F)c(CC[NH2+]Cc2cc(C3CC[NH2+]CC3)no2)c1 ZINC000425899429 296603915 /nfs/dbraw/zinc/60/39/15/296603915.db2.gz LECBZXKSMKSWHA-UHFFFAOYSA-N 2 0 321.371 2.752 20 0 DFADRP CC(C)[C@H]1OCCC[C@H]1C[NH2+]Cc1cc(C2CC[NH2+]CC2)no1 ZINC000425902153 296603924 /nfs/dbraw/zinc/60/39/24/296603924.db2.gz RUEJRNZOZKNWFY-MAUKXSAKSA-N 2 0 321.465 2.682 20 0 DFADRP C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)c2ccc(C[NH3+])cc2)C1 ZINC000358133763 148256199 /nfs/dbraw/zinc/25/61/99/148256199.db2.gz QRMRJJNTLJPRNV-BEFAXECRSA-N 2 0 323.440 2.711 20 0 DFADRP CC(C)C[NH+](CC(=O)NC1CC[NH+](C(C)C)CC1)CC(C)C ZINC000358208237 148285238 /nfs/dbraw/zinc/28/52/38/148285238.db2.gz FAOMCVBTNDMDED-UHFFFAOYSA-N 2 0 311.514 2.589 20 0 DFADRP CC[C@@H](CC(F)(F)F)[NH2+]Cc1cc(C2CC[NH2+]CC2)no1 ZINC000425898031 296603416 /nfs/dbraw/zinc/60/34/16/296603416.db2.gz XJWMSGVHDJWARS-NSHDSACASA-N 2 0 305.344 2.962 20 0 DFADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]CCCc1ccc2c(c1)OCCO2 ZINC000358301372 148319789 /nfs/dbraw/zinc/31/97/89/148319789.db2.gz PMFUBKLXFCESSQ-INMHGKMJSA-N 2 0 318.461 2.709 20 0 DFADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]CC[C@@H]1COc2ccccc2O1 ZINC000358303486 148322433 /nfs/dbraw/zinc/32/24/33/148322433.db2.gz SERJPHQNIHGPEH-FPCVCCKLSA-N 2 0 304.434 2.535 20 0 DFADRP C[C@H]([NH2+]CC1(CCO)CCC1)c1ccc(OCC[NH+](C)C)cc1 ZINC000358323487 148329419 /nfs/dbraw/zinc/32/94/19/148329419.db2.gz VGOYHBHWYYATTR-INIZCTEOSA-N 2 0 320.477 2.830 20 0 DFADRP c1cc(N2CCC([NH2+]CCCCC[NH+]3CCCC3)CC2)cc[nH+]1 ZINC000297506680 296604967 /nfs/dbraw/zinc/60/49/67/296604967.db2.gz VNPSEYGVQYLTDV-UHFFFAOYSA-N 3 0 316.493 2.906 20 0 DFADRP c1csc(-c2cnc(C[N@@H+]3CCC4(C3)CC[NH2+]CC4)o2)c1 ZINC000358521707 148382450 /nfs/dbraw/zinc/38/24/50/148382450.db2.gz YNHANXQCTPGRTD-UHFFFAOYSA-N 2 0 303.431 2.979 20 0 DFADRP CC(C)[C@H](C(=O)N[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1)[NH+](C)C ZINC000358569647 148388440 /nfs/dbraw/zinc/38/84/40/148388440.db2.gz WRSPUWDKGQDEFJ-CGTJXYLNSA-N 2 0 317.477 2.524 20 0 DFADRP c1ccc(C[N@H+]2C[C@@H]3CCC[C@H]([NH2+]CCN4CCC4)[C@@H]3C2)cc1 ZINC000358572580 148389981 /nfs/dbraw/zinc/38/99/81/148389981.db2.gz QPHSBMPEPBQUTH-ZCNNSNEGSA-N 2 0 313.489 2.582 20 0 DFADRP C[NH+](C)CC1(C(=O)N2CC[NH+](C3CCCC3)CC2)CCCCC1 ZINC000358607502 148396823 /nfs/dbraw/zinc/39/68/23/148396823.db2.gz YFEOOGBWEUMVNK-UHFFFAOYSA-N 2 0 321.509 2.585 20 0 DFADRP C[C@@H](Cc1cnn(C)c1)[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000350477080 286047435 /nfs/dbraw/zinc/04/74/35/286047435.db2.gz LPAORZNSPYHQAM-HNNXBMFYSA-N 2 0 304.482 2.738 20 0 DFADRP CC[NH+](CC)CCCC1CC[NH+]([C@H]2CCN(C3CC3)C2=O)CC1 ZINC000359882041 148776770 /nfs/dbraw/zinc/77/67/70/148776770.db2.gz XVEGTYNWRBYTMU-SFHVURJKSA-N 2 0 321.509 2.584 20 0 DFADRP O[C@H]1CC[N@H+](Cc2cccc(NCc3cn4ccccc4n3)c2)C1 ZINC000361044069 149016470 /nfs/dbraw/zinc/01/64/70/149016470.db2.gz JRKGNSNKIGIVLZ-SFHVURJKSA-N 2 0 322.412 2.513 20 0 DFADRP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@@H+]2CCCc1ccsc1 ZINC000361084880 149025363 /nfs/dbraw/zinc/02/53/63/149025363.db2.gz BVTBYMQHJVOYSS-BRWVUGGUSA-N 2 0 308.491 2.864 20 0 DFADRP C[C@@H]1C[N@H+](C)CC[C@H]1NC[C@@H]1CCC[NH+]1Cc1ccccc1 ZINC000361482701 149126511 /nfs/dbraw/zinc/12/65/11/149126511.db2.gz YNMRYZJUIQADCK-NZSAHSFTSA-N 2 0 301.478 2.581 20 0 DFADRP C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)CC1(C[NH3+])CCCCC1 ZINC000361619040 149170923 /nfs/dbraw/zinc/17/09/23/149170923.db2.gz FCTZQXFWCOKJER-HZPDHXFCSA-N 2 0 309.498 2.665 20 0 DFADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]C[C@@H](OC)C(C)(C)C)[C@H](C)C1 ZINC000361812485 149226453 /nfs/dbraw/zinc/22/64/53/149226453.db2.gz MJWCZJPURHPCHF-IXDOHACOSA-N 2 0 314.514 2.774 20 0 DFADRP Cc1cccc(CCC[NH+]2CCC([N@@H+](C)C[C@H](C)O)CC2)c1 ZINC000350836799 286094618 /nfs/dbraw/zinc/09/46/18/286094618.db2.gz OTBDXIPEFGPWNJ-KRWDZBQOSA-N 2 0 304.478 2.705 20 0 DFADRP Cc1cc(C)n(C[C@H]2CCCC[N@@H+]2CCC[NH+]2CCCC2)n1 ZINC000361946150 149262362 /nfs/dbraw/zinc/26/23/62/149262362.db2.gz SPBHKULHJIJWRG-GOSISDBHSA-N 2 0 304.482 2.840 20 0 DFADRP CC(C)C[NH+]1CCC(NC(=O)c2ccccc2C[NH+](C)C)CC1 ZINC000362733346 149353269 /nfs/dbraw/zinc/35/32/69/149353269.db2.gz BLQISLSPYZGNRV-UHFFFAOYSA-N 2 0 317.477 2.598 20 0 DFADRP C[NH+](C)[C@@H](CNC(=O)CC[C@@H]1CCCC[N@@H+]1C)c1ccsc1 ZINC000351250572 286117539 /nfs/dbraw/zinc/11/75/39/286117539.db2.gz JRNOZVXMLFZTAJ-HOTGVXAUSA-N 2 0 323.506 2.732 20 0 DFADRP C[NH+](C)[C@H](CNC(=O)CC[C@H]1CCCC[N@@H+]1C)c1ccsc1 ZINC000351250573 286117555 /nfs/dbraw/zinc/11/75/55/286117555.db2.gz JRNOZVXMLFZTAJ-HZPDHXFCSA-N 2 0 323.506 2.732 20 0 DFADRP COc1cc(F)c([C@H](C)[NH2+]CC2CC[NH+](C)CC2)cc1OC ZINC000351328188 286121399 /nfs/dbraw/zinc/12/13/99/286121399.db2.gz MTMJTPXEAKJGFV-LBPRGKRZSA-N 2 0 310.413 2.835 20 0 DFADRP COc1ccc(Cl)cc1[C@H](C)[NH2+]CCOCC[NH+](C)C ZINC000351502872 286137644 /nfs/dbraw/zinc/13/76/44/286137644.db2.gz NPEOTYVIKIIDAX-LBPRGKRZSA-N 2 0 300.830 2.577 20 0 DFADRP Cc1ccc([C@@H]2CCCCCN2C[C@@H](O)C[N@@H+](C)C2CC2)o1 ZINC000351512620 286140250 /nfs/dbraw/zinc/14/02/50/286140250.db2.gz HJNNTZVRFRDVIJ-IRXDYDNUSA-N 2 0 306.450 2.960 20 0 DFADRP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@@H+]2CCSc1ccccc1 ZINC000371292452 150016826 /nfs/dbraw/zinc/01/68/26/150016826.db2.gz CAWJPZGEXNDNQI-BPQIPLTHSA-N 2 0 320.502 2.962 20 0 DFADRP C[NH+]1CCC2(CCCN2C(=O)c2cccc(-n3ccnc3)c2)CC1 ZINC000371309435 150021026 /nfs/dbraw/zinc/02/10/26/150021026.db2.gz BETMUAYOACRXNW-UHFFFAOYSA-N 2 0 324.428 2.573 20 0 DFADRP C[C@@H](C[N@H+](C)[C@H]1CCN(C2CC[NH+](C)CC2)C1)c1ccccc1 ZINC000371425603 150045729 /nfs/dbraw/zinc/04/57/29/150045729.db2.gz TXHJRGJJUADSIC-PXNSSMCTSA-N 2 0 315.505 2.890 20 0 DFADRP Cc1noc(C2CCC([NH2+][C@@H]3C[C@H](C)[N@@H+](C)C[C@H]3C)CC2)n1 ZINC000371449888 150049607 /nfs/dbraw/zinc/04/96/07/150049607.db2.gz IWGOJKXJONLRDQ-IGFOULAYSA-N 2 0 306.454 2.723 20 0 DFADRP C[C@@H](C(=O)N1[C@H](C)CCC[C@@H]1C)N1CCC2(CCC[N@@H+]2C)CC1 ZINC000371689004 150080916 /nfs/dbraw/zinc/08/09/16/150080916.db2.gz LVTGTEFPECCYDL-BBWFWOEESA-N 2 0 321.509 2.725 20 0 DFADRP C[C@@H]1C[N@H+](C[C@H]2CCCO2)CC[C@H]1[NH2+]CCc1cccc(F)c1 ZINC000371985123 150120986 /nfs/dbraw/zinc/12/09/86/150120986.db2.gz QRDKDVIXYRJIPM-ATZDWAIDSA-N 2 0 320.452 2.847 20 0 DFADRP [NH3+]Cc1ccc(C(=O)N2CCC[C@H]([NH2+]Cc3ccccc3)C2)cc1 ZINC000372025331 150126655 /nfs/dbraw/zinc/12/66/55/150126655.db2.gz KGAZMHGTZBUCLV-IBGZPJMESA-N 2 0 323.440 2.540 20 0 DFADRP CCc1ccccc1C[N@@H+]1CCC[C@@H](CN2CC[NH+](C)CC2)C1 ZINC000372460097 150175836 /nfs/dbraw/zinc/17/58/36/150175836.db2.gz MIEMMQRCFSFAKL-SFHVURJKSA-N 2 0 315.505 2.708 20 0 DFADRP CSC[C@@H](O)C[N@@H+]1CCC[C@H]([NH+](C)Cc2ccccc2)CC1 ZINC000372922629 150203028 /nfs/dbraw/zinc/20/30/28/150203028.db2.gz IZPBODNYYUMFEB-ROUUACIJSA-N 2 0 322.518 2.697 20 0 DFADRP C[NH+]1[C@@H]2CC[C@H]1CC(NC[C@H]1CC[N@@H+](C)[C@H]1c1cccs1)C2 ZINC000373182835 150242797 /nfs/dbraw/zinc/24/27/97/150242797.db2.gz MCRXJVCJYDYLGO-RNIUXLFRSA-N 3 0 319.518 2.956 20 0 DFADRP C[NH+]1[C@@H]2CC[C@H]1CC(NC[C@@H]1CC[N@@H+](C)[C@@H]1c1cccs1)C2 ZINC000373182834 150242982 /nfs/dbraw/zinc/24/29/82/150242982.db2.gz MCRXJVCJYDYLGO-DOEQRONASA-N 3 0 319.518 2.956 20 0 DFADRP Cc1noc(C2CCC([NH2+]C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)n1 ZINC000373206526 150247367 /nfs/dbraw/zinc/24/73/67/150247367.db2.gz NRZSTNZSODODSC-SVFSVNPNSA-N 2 0 304.438 2.619 20 0 DFADRP Cc1nccn1CCCC[N@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000374171147 150317123 /nfs/dbraw/zinc/31/71/23/150317123.db2.gz IMUATFVKPKAEBG-UHFFFAOYSA-N 2 0 304.482 2.780 20 0 DFADRP CC(C)OC(=O)CC[NH+]1CCC2(C[C@H]2C[N@H+](C)C2CC2)CC1 ZINC000374298359 150340065 /nfs/dbraw/zinc/34/00/65/150340065.db2.gz WCNNNDHYBTYSJX-HNNXBMFYSA-N 2 0 308.466 2.524 20 0 DFADRP C[NH+]1CCC2(CCC[N@@H+]2Cc2ccc(-n3cccn3)cc2)CC1 ZINC000374324140 150345530 /nfs/dbraw/zinc/34/55/30/150345530.db2.gz LFRIQKLVCVULMP-UHFFFAOYSA-N 2 0 310.445 2.933 20 0 DFADRP CCOc1ccc(CN2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@@H]32)cc1 ZINC000374428849 150366231 /nfs/dbraw/zinc/36/62/31/150366231.db2.gz NHOSWESXIZROEN-YTQUADARSA-N 2 0 318.461 2.769 20 0 DFADRP C[N@@H+]1CCCC[C@H]1CCN1CC[NH+](CCc2ccccc2)CC1 ZINC000351690752 286194742 /nfs/dbraw/zinc/19/47/42/286194742.db2.gz GCACYGSYFWJWQK-FQEVSTJZSA-N 2 0 315.505 2.721 20 0 DFADRP CCO[C@@H](CC[NH+](C)C)C[NH2+][C@@H]1CCCOc2ccccc21 ZINC000166015473 286198488 /nfs/dbraw/zinc/19/84/88/286198488.db2.gz OYDCOFAXYKVELU-DOTOQJQBSA-N 2 0 306.450 2.847 20 0 DFADRP CCN(CCC[NH+]1CCCC1)C(=O)c1cccc(C[NH+](C)C)c1 ZINC000351790457 286219063 /nfs/dbraw/zinc/21/90/63/286219063.db2.gz PHXDYKWDBIDJFE-UHFFFAOYSA-N 2 0 317.477 2.696 20 0 DFADRP C[N@@H+](Cc1ccc2c(c1)OC(F)(F)O2)CC1CC[NH+](C)CC1 ZINC000352014657 286269956 /nfs/dbraw/zinc/26/99/56/286269956.db2.gz NTHXYUKQWJMZRO-UHFFFAOYSA-N 2 0 312.360 2.782 20 0 DFADRP CCOC1CC(C[NH+]2CCC(OCC[NH+](CC)CC)CC2)C1 ZINC000352024788 286272603 /nfs/dbraw/zinc/27/26/03/286272603.db2.gz IWSPEPBIWGDJFJ-UHFFFAOYSA-N 2 0 312.498 2.624 20 0 DFADRP COC(=O)[C@H](CC(C)C)[N@@H+]1CC[C@H](CNc2cccc(C)[nH+]2)C1 ZINC000352024824 286272736 /nfs/dbraw/zinc/27/27/36/286272736.db2.gz JFLFBLOEVIULOK-CVEARBPZSA-N 2 0 319.449 2.712 20 0 DFADRP CCC[C@H]([NH2+]C(C)C)C(=O)NCc1ccc(F)c(C[NH+](C)C)c1 ZINC000352044811 286278786 /nfs/dbraw/zinc/27/87/86/286278786.db2.gz KXONTNSSFINUAS-KRWDZBQOSA-N 2 0 323.456 2.670 20 0 DFADRP CCC[C@H]([NH2+]C(C)C)C(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000352051813 286280291 /nfs/dbraw/zinc/28/02/91/286280291.db2.gz FNZRZHUYSGICKJ-BPQIPLTHSA-N 2 0 321.509 2.628 20 0 DFADRP CC1CC[NH+](CCCC[NH2+]Cc2cnn(CC(F)F)c2)CC1 ZINC000352131564 286300162 /nfs/dbraw/zinc/30/01/62/286300162.db2.gz STNFOWVOHLJQQR-UHFFFAOYSA-N 2 0 314.424 2.750 20 0 DFADRP COc1ccc(CNCc2ncc(CN(C)C)s2)cc1OC ZINC000352256964 286330318 /nfs/dbraw/zinc/33/03/18/286330318.db2.gz NIYSQQCGALDNPN-UHFFFAOYSA-N 2 0 321.446 2.512 20 0 DFADRP COc1ccc([C@H](C)[NH2+]CC2(SC)CC[NH+](C)CC2)cc1O ZINC000353626445 286369330 /nfs/dbraw/zinc/36/93/30/286369330.db2.gz HTVGCDDSXOWUGY-ZDUSSCGKSA-N 2 0 324.490 2.879 20 0 DFADRP C[C@@H]1CCCC[C@H]1NC(=O)C[N@H+](CCC[NH3+])CC1CCCC1 ZINC000352510503 286393254 /nfs/dbraw/zinc/39/32/54/286393254.db2.gz NTHSVXWLWBIVEO-NVXWUHKLSA-N 2 0 309.498 2.522 20 0 DFADRP CN(C)C(=O)c1cccc(C[N@H+](CCC[NH3+])CC2CCCC2)c1 ZINC000352511573 286393809 /nfs/dbraw/zinc/39/38/09/286393809.db2.gz SJZPYEKUIKHTME-UHFFFAOYSA-N 2 0 317.477 2.729 20 0 DFADRP CC[C@H]1CCCCN1C(=O)C[N@H+](CCC[NH3+])CC1CCCC1 ZINC000352519216 286396002 /nfs/dbraw/zinc/39/60/02/286396002.db2.gz MUQLHZAYSGXLPT-KRWDZBQOSA-N 2 0 309.498 2.619 20 0 DFADRP C[C@@H]1CCC[C@H](C)N1C(=O)C[N@H+](CCC[NH3+])CC1CCCC1 ZINC000352524518 286397838 /nfs/dbraw/zinc/39/78/38/286397838.db2.gz BPGQGSBUTDKIOS-IYBDPMFKSA-N 2 0 309.498 2.617 20 0 DFADRP COc1cc(C[NH2+]CC2(SC)CC[NH+](C)CC2)ccc1C ZINC000353221803 286583016 /nfs/dbraw/zinc/58/30/16/286583016.db2.gz PVJFVFHRVXLQQA-UHFFFAOYSA-N 2 0 308.491 2.921 20 0 DFADRP C[C@@H]([NH2+]CCCN1CC[NH+](C)CC1)c1nccc2ccccc21 ZINC000353380893 286630101 /nfs/dbraw/zinc/63/01/01/286630101.db2.gz CVEMVIPFRBXCRI-MRXNPFEDSA-N 2 0 312.461 2.523 20 0 DFADRP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@@H](C)[C@@H]1CCC[NH+](C2CCC2)C1 ZINC000182821157 158007975 /nfs/dbraw/zinc/00/79/75/158007975.db2.gz XGZBCLCFBUMGGL-JZXOWHBKSA-N 2 0 321.509 2.630 20 0 DFADRP Cc1cccc2c(NC[C@H](C)N3CC[NH+](C)CC3)c(C)c[nH+]c12 ZINC000185293170 158052533 /nfs/dbraw/zinc/05/25/33/158052533.db2.gz HMUNUTLTVBUFIJ-INIZCTEOSA-N 2 0 312.461 2.899 20 0 DFADRP CC[N@H+](C)[C@H](C(=O)NC[C@H](CC(C)C)[NH+](C)C)c1ccccc1 ZINC000246347097 158087641 /nfs/dbraw/zinc/08/76/41/158087641.db2.gz ITPYKKBDUUSGFV-ROUUACIJSA-N 2 0 319.493 2.772 20 0 DFADRP COc1cccc(CN2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)n1 ZINC000246810479 158100157 /nfs/dbraw/zinc/10/01/57/158100157.db2.gz NHECKXROPHMXKJ-YOEHRIQHSA-N 2 0 301.434 2.539 20 0 DFADRP CCN1CCC[C@@H]([NH2+][C@H](C)c2ccc(OCC[NH+](C)C)cc2)C1 ZINC000246836281 158101701 /nfs/dbraw/zinc/10/17/01/158101701.db2.gz BYVBIZKNLWEDHC-SJLPKXTDSA-N 2 0 319.493 2.762 20 0 DFADRP O=C1OCC[C@@H]1CC[N@@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000246932488 158107542 /nfs/dbraw/zinc/10/75/42/158107542.db2.gz MSOPJPBMMRXNIA-IRXDYDNUSA-N 2 0 308.466 2.528 20 0 DFADRP CC[C@H](C(=O)N1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1)[NH+](C)C ZINC000247130485 158119424 /nfs/dbraw/zinc/11/94/24/158119424.db2.gz ASLFRIZBISKIRY-SJLPKXTDSA-N 2 0 323.525 2.830 20 0 DFADRP CCC[NH+](CCC)CCCC(=O)N[C@H]1C[N@@H+](C(C)C)C[C@H]1C ZINC000247477824 158138807 /nfs/dbraw/zinc/13/88/07/158138807.db2.gz VWAGOWFZNRDOIT-SJORKVTESA-N 2 0 311.514 2.734 20 0 DFADRP C[C@@H]1C[C@@H](NC[C@H](c2ccco2)[NH+]2CCCCC2)CC[N@@H+]1C ZINC000247971786 158154484 /nfs/dbraw/zinc/15/44/84/158154484.db2.gz JLVJKFPHXHJOFG-IXDOHACOSA-N 2 0 305.466 2.879 20 0 DFADRP C[N@@H+]1CCC[C@@H]2C[NH+](CCC(=O)Nc3cccc(F)c3)CC[C@H]21 ZINC000248036629 158159135 /nfs/dbraw/zinc/15/91/35/158159135.db2.gz RRVAVARMMSPTAP-RHSMWYFYSA-N 2 0 319.424 2.570 20 0 DFADRP CCC[C@@H](C)[NH2+]Cc1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000248216279 158166052 /nfs/dbraw/zinc/16/60/52/158166052.db2.gz ZRKBXYJUPBXIRR-CRAIPNDOSA-N 2 0 317.477 2.662 20 0 DFADRP C[C@@H]([NH2+]Cc1ccccc1C[N@@H+]1CCC[C@H]1CO)C1(C)CC1 ZINC000248457602 158177360 /nfs/dbraw/zinc/17/73/60/158177360.db2.gz TUMPCOGKVYRKCF-QAPCUYQASA-N 2 0 302.462 2.922 20 0 DFADRP COCCC[C@@H](C)[NH2+]Cc1ccccc1C[N@@H+]1CCC[C@H]1CO ZINC000248458833 158177439 /nfs/dbraw/zinc/17/74/39/158177439.db2.gz VEWLUFGMIITVII-APWZRJJASA-N 2 0 320.477 2.548 20 0 DFADRP CO[C@H](C)[C@H](C)[NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]12 ZINC000248829434 158202377 /nfs/dbraw/zinc/20/23/77/158202377.db2.gz KYBJVUJHGOXVDX-ZPKKHLQPSA-N 2 0 302.462 2.910 20 0 DFADRP CC[NH+]1CCN(c2ccc(C[NH2+][C@@H]3CCC3(C)C)cn2)CC1 ZINC000342675722 158222948 /nfs/dbraw/zinc/22/29/48/158222948.db2.gz VHQFOSCOBTXSDZ-MRXNPFEDSA-N 2 0 302.466 2.502 20 0 DFADRP C[C@@H]([NH2+]CCc1ccc(OCC[NH+](C)C)cc1)[C@@H]1CCCOC1 ZINC000356870817 158317834 /nfs/dbraw/zinc/31/78/34/158317834.db2.gz OMRNPAOXSJWJTQ-SJLPKXTDSA-N 2 0 320.477 2.574 20 0 DFADRP C[C@@H](C(=O)NCCC[N@H+]1C[C@H](C)C[C@H](C)C1)[NH+]1[C@@H](C)CC[C@@H]1C ZINC000357040781 158354948 /nfs/dbraw/zinc/35/49/48/158354948.db2.gz OVNAZHATKHMDJL-ADHGMGHFSA-N 2 0 323.525 2.732 20 0 DFADRP Cn1ccnc1[C@@H]([NH2+]CCCC[NH+](C)C)c1cccc(F)c1 ZINC000357040938 158355047 /nfs/dbraw/zinc/35/50/47/158355047.db2.gz PHKVDIVYRMCWHW-INIZCTEOSA-N 2 0 304.413 2.580 20 0 DFADRP CCC[NH+](CCC)CCCC(=O)N[C@H](C)C1=CC[N@H+](C)CC1 ZINC000358383516 158374011 /nfs/dbraw/zinc/37/40/11/158374011.db2.gz JPLFFGGVGFMBON-MRXNPFEDSA-N 2 0 309.498 2.655 20 0 DFADRP C[C@H]1C[N@H+](C)C[C@H]1NC1C[C@H]2CC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC000358390151 158376745 /nfs/dbraw/zinc/37/67/45/158376745.db2.gz XOPLJXVGRPLAQN-QFMLELGNSA-N 2 0 313.489 2.722 20 0 DFADRP C[C@@H]1C[N@H+](C)C[C@@H]1NC1C[C@H]2CC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC000358390150 158376830 /nfs/dbraw/zinc/37/68/30/158376830.db2.gz XOPLJXVGRPLAQN-PANBIXPWSA-N 2 0 313.489 2.722 20 0 DFADRP [NH3+]CCCOC1CC[NH+](CCc2c(F)cccc2Cl)CC1 ZINC000430576461 296796731 /nfs/dbraw/zinc/79/67/31/296796731.db2.gz XJQRBTKRGXIKIV-UHFFFAOYSA-N 2 0 314.832 2.851 20 0 DFADRP CC[NH2+]CC1CC[NH+]([C@@H](C)C(=O)Nc2ccc(C)cc2C)CC1 ZINC000430581395 296797364 /nfs/dbraw/zinc/79/73/64/296797364.db2.gz IUJVGQXRGKPLHB-INIZCTEOSA-N 2 0 317.477 2.952 20 0 DFADRP C[C@H](CNC(=O)[C@@H]1CCCCCC[C@H]1[NH3+])C[NH+]1CCCCC1 ZINC000430683873 296804601 /nfs/dbraw/zinc/80/46/01/296804601.db2.gz LCSHLWQYLFNHBB-BRWVUGGUSA-N 2 0 309.498 2.522 20 0 DFADRP CCc1cccc(CC)c1NC(=O)C[NH+]1CCC([C@H](C)[NH3+])CC1 ZINC000430941360 296813823 /nfs/dbraw/zinc/81/38/23/296813823.db2.gz WCDLKLXGOGXLCZ-AWEZNQCLSA-N 2 0 317.477 2.809 20 0 DFADRP C[C@@H](CSC(C)(C)C)[NH2+][C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000370633508 286891003 /nfs/dbraw/zinc/89/10/03/286891003.db2.gz HHUBBTRWZMMKBF-LSDHHAIUSA-N 2 0 313.555 2.665 20 0 DFADRP C[C@@H](NC1CC[NH+](C2CC2)CC1)[C@H](c1ccccc1)[NH+](C)C ZINC000297814364 287013416 /nfs/dbraw/zinc/01/34/16/287013416.db2.gz YIVIUPMTSUTFGS-DNVCBOLYSA-N 2 0 301.478 2.894 20 0 DFADRP CC[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000355060023 287119601 /nfs/dbraw/zinc/11/96/01/287119601.db2.gz UMWZWVUTPWMRIL-JQHSSLGASA-N 2 0 317.477 2.668 20 0 DFADRP C[C@@H](c1ccncc1)N1CCC([NH2+]CC2=CCCOC2)CC1 ZINC000131174791 196146780 /nfs/dbraw/zinc/14/67/80/196146780.db2.gz YYXCFZDLTQGUEQ-HNNXBMFYSA-N 2 0 301.434 2.543 20 0 DFADRP C[C@H]([NH2+]CC(C)(C)C[NH+](C)C)c1ccc(N2CCOC2=O)cc1 ZINC000132112588 196227816 /nfs/dbraw/zinc/22/78/16/196227816.db2.gz NIFJACZGOYPGTD-AWEZNQCLSA-N 2 0 319.449 2.882 20 0 DFADRP C[C@@H]1C[C@@H]([NH2+]CCc2nccn2Cc2ccccc2)CC[N@@H+]1C ZINC000132129087 196228574 /nfs/dbraw/zinc/22/85/74/196228574.db2.gz QTDWSMKAISZXJQ-AEFFLSMTSA-N 2 0 312.461 2.546 20 0 DFADRP COc1ccccc1[C@@H](C)[NH2+]C[C@H](C(C)C)N1CC[NH+](C)CC1 ZINC000132340752 196247334 /nfs/dbraw/zinc/24/73/34/196247334.db2.gz PAPDFMRDDBQSQA-SJLPKXTDSA-N 2 0 319.493 2.618 20 0 DFADRP CC(C)[C@H](C[NH2+][C@@H](C)CCc1ccccc1)N1CC[NH+](C)CC1 ZINC000132319925 196245081 /nfs/dbraw/zinc/24/50/81/196245081.db2.gz UOVQTUYIFFVAMQ-ICSRJNTNSA-N 2 0 317.521 2.869 20 0 DFADRP Cc1ccccc1[C@@H](C)[NH2+]C[C@@H](C(C)C)N1CC[NH+](C)CC1 ZINC000132317816 196245255 /nfs/dbraw/zinc/24/52/55/196245255.db2.gz FBKIWNXUJDYHQR-MJGOQNOKSA-N 2 0 303.494 2.918 20 0 DFADRP Cc1ccc([C@@H](C)[NH2+]C[C@@H](C(C)C)N2CC[NH+](C)CC2)cc1 ZINC000132320597 196245601 /nfs/dbraw/zinc/24/56/01/196245601.db2.gz RGNBBTUSZHZZEA-MJGOQNOKSA-N 2 0 303.494 2.918 20 0 DFADRP CC(C)[C@@H](C[NH2+][C@@H]1CCc2ccccc21)N1CC[NH+](C)CC1 ZINC000132328899 196246082 /nfs/dbraw/zinc/24/60/82/196246082.db2.gz ZJEIHSNIVKULHL-RTBURBONSA-N 2 0 301.478 2.536 20 0 DFADRP C[C@@H]([NH2+]CCc1cscn1)c1ccc(OCC[NH+](C)C)cc1 ZINC000134851493 196423768 /nfs/dbraw/zinc/42/37/68/196423768.db2.gz ANQVOUBOAIIBJY-CQSZACIVSA-N 2 0 319.474 2.977 20 0 DFADRP C[C@H]1CC[N@H+](Cc2ccccc2)CCN1Cc1cnc2n1CCC2 ZINC000667587883 543636837 /nfs/dbraw/zinc/63/68/37/543636837.db2.gz GWNFPOOBALHCBE-KRWDZBQOSA-N 2 0 324.472 2.926 20 0 DFADRP CN(CC[N@H+](C)Cc1ccnn1-c1cc[nH+]cc1)c1ccccc1 ZINC000667615070 543641589 /nfs/dbraw/zinc/64/15/89/543641589.db2.gz GJJAGPCJUUFPTG-UHFFFAOYSA-N 2 0 321.428 2.836 20 0 DFADRP COCCc1ccc(OC[C@H](C)[NH2+]C[C@@H]2CCC[N@H+](C)C2)cc1 ZINC000667860208 543694133 /nfs/dbraw/zinc/69/41/33/543694133.db2.gz JETMYSCKAVGVIO-WMZOPIPTSA-N 2 0 320.477 2.574 20 0 DFADRP C[C@H](CNC(=O)Nc1cccc(C[NH3+])c1)[N@@H+]1CCCC[C@@H]1C ZINC000667730833 543668758 /nfs/dbraw/zinc/66/87/58/543668758.db2.gz BVLSDZHXTAFDII-UONOGXRCSA-N 2 0 304.438 2.530 20 0 DFADRP CCCN(CC[NH+](CC)CC)C(=O)Nc1cccc(C[NH3+])c1 ZINC000667736919 543670362 /nfs/dbraw/zinc/67/03/62/543670362.db2.gz XYWZWDPAXJOTCA-UHFFFAOYSA-N 2 0 306.454 2.731 20 0 DFADRP CC[NH2+]Cc1cccc(NC(=O)N[C@@H](CC)C[NH+]2CCCC2)c1 ZINC000667767216 543675449 /nfs/dbraw/zinc/67/54/49/543675449.db2.gz KJPJKBCCILKJBI-INIZCTEOSA-N 2 0 318.465 2.792 20 0 DFADRP Cc1ccccc1CC[N@@H+](C)CCCN1CC[NH+](C(C)C)CC1 ZINC000295693479 225131621 /nfs/dbraw/zinc/13/16/21/225131621.db2.gz LVLGRNLNFYVDFE-UHFFFAOYSA-N 2 0 317.521 2.885 20 0 DFADRP Cc1ncc(CN2CCN([C@@H](C)c3ccsc3)CC2)n1C ZINC000667992991 543720447 /nfs/dbraw/zinc/72/04/47/543720447.db2.gz KSRVEAGFXPWFQT-ZDUSSCGKSA-N 2 0 304.463 2.669 20 0 DFADRP c1cc(CN2CCC[C@@H](OCC3CC3)C2)n(-c2cc[nH+]cc2)n1 ZINC000668011192 543722910 /nfs/dbraw/zinc/72/29/10/543722910.db2.gz VODWSECSHQQOIO-GOSISDBHSA-N 2 0 312.417 2.658 20 0 DFADRP Cc1cccn2c(NC(=O)N3CCC[C@H]([NH+](C)C)CC3)cnc12 ZINC000667955993 543710841 /nfs/dbraw/zinc/71/08/41/543710841.db2.gz QPTGUXKZJLLDRI-AWEZNQCLSA-N 2 0 315.421 2.591 20 0 DFADRP OC[C@H]1CCC[N@@H+]1Cc1ccccc1C[NH2+][C@H]1CCC[C@@H]2C[C@@H]21 ZINC000667962781 543713979 /nfs/dbraw/zinc/71/39/79/543713979.db2.gz ZPTOHBKMNUKPLZ-XCLNPWKQSA-N 2 0 314.473 2.922 20 0 DFADRP c1cn2c(n1)[C@@H]([NH2+]CC1CC[NH+](Cc3ccccc3)CC1)CC2 ZINC000295833457 225292566 /nfs/dbraw/zinc/29/25/66/225292566.db2.gz FBPYAZXXEHVGEV-SFHVURJKSA-N 2 0 310.445 2.830 20 0 DFADRP CC[N@H+](Cc1cnc2n1CCC2)Cc1ccc(C[NH+](C)C)cc1 ZINC000668160836 543753947 /nfs/dbraw/zinc/75/39/47/543753947.db2.gz IFWOJRNVTVNMPO-UHFFFAOYSA-N 2 0 312.461 2.913 20 0 DFADRP CCC[N@H+](CC)C[C@H](C)NC(=O)Nc1ccn2cc(C)nc2c1 ZINC000668164655 543755505 /nfs/dbraw/zinc/75/55/05/543755505.db2.gz ALLMPUNBOVWMJL-ZDUSSCGKSA-N 2 0 317.437 2.885 20 0 DFADRP c1cc(C[N@@H+]2CCOC[C@@H](C3CCC3)C2)n(-c2cc[nH+]cc2)n1 ZINC000668188856 543763354 /nfs/dbraw/zinc/76/33/54/543763354.db2.gz QZVXYHUXWUOBRG-INIZCTEOSA-N 2 0 312.417 2.516 20 0 DFADRP CN1CCN(Cc2ccccc2)[C@H](C[NH2+][C@H]2CCC[C@@H]3C[C@@H]32)C1 ZINC000668759178 543861860 /nfs/dbraw/zinc/86/18/60/543861860.db2.gz RZRIADUWBMIVTD-ZRNYENFQSA-N 2 0 313.489 2.581 20 0 DFADRP COCC1([NH2+]C2CCN(c3cc[nH+]cc3)CC2)CCCCC1 ZINC000668811552 543872869 /nfs/dbraw/zinc/87/28/69/543872869.db2.gz WHTWBTVCVCVDST-UHFFFAOYSA-N 2 0 303.450 2.989 20 0 DFADRP OC[C@]1([NH2+][C@H]2CCC23CCC3)CCCN(Cc2ccccc2)C1 ZINC000669702503 543986321 /nfs/dbraw/zinc/98/63/21/543986321.db2.gz HJCACOGLJFEGDP-ICSRJNTNSA-N 2 0 314.473 2.936 20 0 DFADRP CC(C)C(C[NH2+]C[C@H](O)CN1CCc2ccccc2C1)C(C)C ZINC000671189905 544059166 /nfs/dbraw/zinc/05/91/66/544059166.db2.gz LLULRLXPIJQVQY-IBGZPJMESA-N 2 0 318.505 2.923 20 0 DFADRP COc1ccccc1OCCC[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@H]21 ZINC000671746246 544105786 /nfs/dbraw/zinc/10/57/86/544105786.db2.gz ZFLKIUKIOBVMLJ-GVDBMIGSSA-N 2 0 318.461 2.927 20 0 DFADRP COc1nc(C)cc(C)c1C[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@@H]21 ZINC000671745716 544106024 /nfs/dbraw/zinc/10/60/24/544106024.db2.gz RUZCHVQOFBCMIF-OIISXLGYSA-N 2 0 303.450 2.669 20 0 DFADRP C[C@@H]([NH2+][C@@H](CN(C)C)c1ccc(F)cc1)C1CC[NH+](C)CC1 ZINC000672616761 544143362 /nfs/dbraw/zinc/14/33/62/544143362.db2.gz QKZYNQKFJFKKQO-KDOFPFPSSA-N 2 0 307.457 2.748 20 0 DFADRP CC(C)[C@@H](CO)C[NH2+][C@@H](C)c1cccc(OCC[NH+](C)C)c1 ZINC000672615548 544143531 /nfs/dbraw/zinc/14/35/31/544143531.db2.gz IDNJUAQLKJTLHN-DOTOQJQBSA-N 2 0 308.466 2.542 20 0 DFADRP c1ccc2c(c1)[nH+]ccc2N1CCN(CC[NH+]2CCCCC2)CC1 ZINC000297350297 227048942 /nfs/dbraw/zinc/04/89/42/227048942.db2.gz FEQXIRCOKYNVKH-UHFFFAOYSA-N 2 0 324.472 2.843 20 0 DFADRP c1[nH]c2nccnc2c1C[NH2+]C1CC[NH+](CC2CCCC2)CC1 ZINC000290898446 222004186 /nfs/dbraw/zinc/00/41/86/222004186.db2.gz NRNVKQICMCKMMT-UHFFFAOYSA-N 2 0 313.449 2.702 20 0 DFADRP COC1CCC(C[NH2+]Cc2ccc(OCC[NH+](C)C)cc2)CC1 ZINC000674237093 544225180 /nfs/dbraw/zinc/22/51/80/544225180.db2.gz DMIRWCGASRQLOE-UHFFFAOYSA-N 2 0 320.477 2.922 20 0 DFADRP CC[NH+](CC)[C@H](C(=O)N[C@@H]1C[N@H+](CC)C[C@@H]1C)c1ccccc1 ZINC000674844386 544269173 /nfs/dbraw/zinc/26/91/73/544269173.db2.gz MYNJVEXZWCDRIO-JQHSSLGASA-N 2 0 317.477 2.526 20 0 DFADRP CC(C)(C)OCCC[NH+]1CCC(OCC[NH+]2CCCC2)CC1 ZINC000674909453 544275677 /nfs/dbraw/zinc/27/56/77/544275677.db2.gz MRRUIBUEASLGJE-UHFFFAOYSA-N 2 0 312.498 2.768 20 0 DFADRP C[NH+]1CCN(C(C)(C)C[NH2+][C@H]2CCCOc3ccccc32)CC1 ZINC000675742560 544332959 /nfs/dbraw/zinc/33/29/59/544332959.db2.gz SLGHFTMVGQJHPX-KRWDZBQOSA-N 2 0 317.477 2.516 20 0 DFADRP COCCOc1ccccc1C[NH2+][C@H](C)C1CC[NH+](C)CC1 ZINC000675762974 544334474 /nfs/dbraw/zinc/33/44/74/544334474.db2.gz BVPOYJGWBGMUAE-OAHLLOKOSA-N 2 0 306.450 2.532 20 0 DFADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2ccc(O)cc2)[C@H](C)C1 ZINC000675802542 544337655 /nfs/dbraw/zinc/33/76/55/544337655.db2.gz STANPDCLNBATEG-QAPCUYQASA-N 2 0 306.450 2.619 20 0 DFADRP CC[C@H](Cc1cccs1)[NH2+]CC1(O)CC[NH+](C(C)C)CC1 ZINC000675935097 544345516 /nfs/dbraw/zinc/34/55/16/544345516.db2.gz GVYDRJGVQARUCG-OAHLLOKOSA-N 2 0 310.507 2.894 20 0 DFADRP CC(=O)N1CC[C@@H]([NH2+]C2CC[NH+](C3CCCCC3)CC2)[C@H](C)C1 ZINC000675916223 544344331 /nfs/dbraw/zinc/34/43/31/544344331.db2.gz YOYALDMTSBPXIP-DNVCBOLYSA-N 2 0 321.509 2.630 20 0 DFADRP C[C@H]([NH2+][C@H](CO)CC1CC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000681394920 545637535 /nfs/dbraw/zinc/63/75/35/545637535.db2.gz XIQBLJNWJPGUTO-SNRMKQJTSA-N 2 0 302.462 2.648 20 0 DFADRP OCC1(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)CC1 ZINC000676351134 544372108 /nfs/dbraw/zinc/37/21/08/544372108.db2.gz XGCPXLCSUVLNIE-AYHJJNSGSA-N 2 0 300.446 2.544 20 0 DFADRP CCO[C@H]1CCC[N@H+](Cc2ccc(OCC[NH+](C)C)cc2)C1 ZINC000676414148 544376036 /nfs/dbraw/zinc/37/60/36/544376036.db2.gz PFDQGNNNTIEXCW-SFHVURJKSA-N 2 0 306.450 2.628 20 0 DFADRP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@@H](C)c2nc(C)sc2C)CC1 ZINC000676490207 544379502 /nfs/dbraw/zinc/37/95/02/544379502.db2.gz OGDVZPNUWOVZRL-KGLIPLIRSA-N 2 0 324.538 2.684 20 0 DFADRP CC[C@@H]1CO[C@H](C)C[N@@H+]1Cc1ccc(OCC[NH+](C)C)cc1 ZINC000678122341 544604365 /nfs/dbraw/zinc/60/43/65/544604365.db2.gz LEUXQJIXAMHGTN-NVXWUHKLSA-N 2 0 306.450 2.626 20 0 DFADRP CC[C@@H]1CO[C@@H](C)C[N@@H+]1Cc1ccc(OCC[NH+](C)C)cc1 ZINC000678122340 544604576 /nfs/dbraw/zinc/60/45/76/544604576.db2.gz LEUXQJIXAMHGTN-DOTOQJQBSA-N 2 0 306.450 2.626 20 0 DFADRP CCC[NH+]1CCC([N@H+](C)Cc2ccccc2-n2cncn2)CC1 ZINC000678194809 544617899 /nfs/dbraw/zinc/61/78/99/544617899.db2.gz ZHKVXARIFPUAPU-UHFFFAOYSA-N 2 0 313.449 2.574 20 0 DFADRP C[C@H](O)C[NH+]1CCC(C[N@H+](C)Cc2cscc2Cl)CC1 ZINC000678248186 544629744 /nfs/dbraw/zinc/62/97/44/544629744.db2.gz TYKFNAGKSHGMTE-LBPRGKRZSA-N 2 0 316.898 2.926 20 0 DFADRP Brc1ccc2c(c1)[C@H]([NH+]1C[C@H]3C[NH2+]C[C@@H]3C1)CCC2 ZINC000678312460 544650458 /nfs/dbraw/zinc/65/04/58/544650458.db2.gz JSGUCNBQUYQQGD-XJKCOSOUSA-N 2 0 321.262 2.978 20 0 DFADRP CSc1ccccc1NC(=O)[C@@H](C)[N@@H+]1CCC[C@H](CC[NH3+])C1 ZINC000443058078 297214076 /nfs/dbraw/zinc/21/40/76/297214076.db2.gz JAEDOUACMNGOEK-ZIAGYGMSSA-N 2 0 321.490 2.796 20 0 DFADRP Cc1ccc([C@@H](C)[NH2+]CCCC[N@@H+]2CCC[C@H]2CO)c(C)n1 ZINC000678422653 544670430 /nfs/dbraw/zinc/67/04/30/544670430.db2.gz NKQJJDKIFWEDRI-WBVHZDCISA-N 2 0 305.466 2.586 20 0 DFADRP CCC1(O)CCC([NH2+]Cc2ccc(OCC[NH+](C)C)cc2)CC1 ZINC000678498025 544683689 /nfs/dbraw/zinc/68/36/89/544683689.db2.gz COGDAVAYLAIILT-UHFFFAOYSA-N 2 0 320.477 2.800 20 0 DFADRP CC[N@@H+]1CC[C@@H](N(C)Cc2cn3cccc(F)c3n2)[C@@H](C)C1 ZINC000678277243 544641118 /nfs/dbraw/zinc/64/11/18/544641118.db2.gz HBKASKBHZYWRLO-XJKSGUPXSA-N 2 0 304.413 2.636 20 0 DFADRP CO[C@H](C)C[N@H+](Cc1ccc(OCC[NH+](C)C)cc1)C(C)C ZINC000678277549 544641209 /nfs/dbraw/zinc/64/12/09/544641209.db2.gz WZQSAHCBJVBZCJ-MRXNPFEDSA-N 2 0 308.466 2.872 20 0 DFADRP C[C@@H]([NH2+]CC[C@@H]1COc2ccccc2O1)C1CC[NH+](C)CC1 ZINC000678598435 544699113 /nfs/dbraw/zinc/69/91/13/544699113.db2.gz IHAMHFZLSXBFES-GDBMZVCRSA-N 2 0 304.434 2.536 20 0 DFADRP C[C@@H]([NH2+]CCCc1ccc2c(c1)OCCO2)C1CC[NH+](C)CC1 ZINC000678599118 544699507 /nfs/dbraw/zinc/69/95/07/544699507.db2.gz WYGYPHFUOXWHQR-OAHLLOKOSA-N 2 0 318.461 2.710 20 0 DFADRP C[C@H]1CCc2ccccc2[C@@H]1[NH2+]CC(C)(C)N1CC[NH+](C)CC1 ZINC000678766853 544717198 /nfs/dbraw/zinc/71/71/98/544717198.db2.gz PTFIDTOFKRGZMW-QFBILLFUSA-N 2 0 315.505 2.926 20 0 DFADRP C[C@@H]1CCc2ccccc2[C@H]1[NH2+]CCN1CCC([NH+](C)C)CC1 ZINC000678771363 544718949 /nfs/dbraw/zinc/71/89/49/544718949.db2.gz RJWZLSQZFJISIF-UZLBHIALSA-N 2 0 315.505 2.926 20 0 DFADRP CCC[NH+]1CCC([NH2+][C@@H](C)c2ccc(-n3ccnn3)cc2)CC1 ZINC000678774574 544718964 /nfs/dbraw/zinc/71/89/64/544718964.db2.gz MQAZWPUIALLQGX-HNNXBMFYSA-N 2 0 313.449 2.792 20 0 DFADRP CCc1nc2ccccc2n1CC[NH2+][C@@H](C)C1CC[NH+](C)CC1 ZINC000679022178 544768522 /nfs/dbraw/zinc/76/85/22/544768522.db2.gz HYSUGJBLXKXZTO-HNNXBMFYSA-N 2 0 314.477 2.919 20 0 DFADRP CC(C)[C@H]([NH2+]CC(C)(C)N1CC[NH+](C)CC1)c1ccc(F)cn1 ZINC000679386444 544846160 /nfs/dbraw/zinc/84/61/60/544846160.db2.gz NBTKQLWGETXNHW-KRWDZBQOSA-N 2 0 322.472 2.533 20 0 DFADRP C[NH+]1CCC(C)(C[NH2+]Cc2ncccc2C(F)(F)F)CC1 ZINC000679484722 544859500 /nfs/dbraw/zinc/85/95/00/544859500.db2.gz VLLMLKZSJUDQRO-UHFFFAOYSA-N 2 0 301.356 2.922 20 0 DFADRP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+]C2CSC2)CC1 ZINC000679625274 544884569 /nfs/dbraw/zinc/88/45/69/544884569.db2.gz FIJYVMDMLDOFPZ-ZDUSSCGKSA-N 2 0 323.481 2.734 20 0 DFADRP C[C@H]([NH2+]Cc1cn(C)nc1-c1ccccc1)C1CC[NH+](C)CC1 ZINC000679904192 544924308 /nfs/dbraw/zinc/92/43/08/544924308.db2.gz ARYQBKGLRHXEBM-HNNXBMFYSA-N 2 0 312.461 2.907 20 0 DFADRP CO[C@@H]1CCC[N@H+](CC[C@H](C)[NH+]2CCC[C@H](OC)CC2)CC1 ZINC000679953996 544933090 /nfs/dbraw/zinc/93/30/90/544933090.db2.gz OBHIYUBYBUGDBY-KSZLIROESA-N 2 0 312.498 2.767 20 0 DFADRP c1ccc(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH2+]C4CSC4)[C@H]3C2)cc1 ZINC000680334017 544992408 /nfs/dbraw/zinc/99/24/08/544992408.db2.gz KMFBAKVRZGQSCU-RYQLBKOJSA-N 2 0 302.487 2.992 20 0 DFADRP CC[NH+]1CCN([C@@H](C)C[NH2+][C@H](Cc2ccccc2)C2CC2)CC1 ZINC000155571846 425920834 /nfs/dbraw/zinc/92/08/34/425920834.db2.gz BXEGLGPAQOONDI-FXAWDEMLSA-N 2 0 315.505 2.623 20 0 DFADRP CC[NH+]1CCN([C@@H](C)C[NH2+][C@H](CC(C)C)c2ccccn2)CC1 ZINC000155573797 425920956 /nfs/dbraw/zinc/92/09/56/425920956.db2.gz JBFLWYXOXLOCSU-PKOBYXMFSA-N 2 0 318.509 2.784 20 0 DFADRP CC[C@@H]([NH2+]C[C@@H](C)N1CC[NH+](CC)CC1)c1cccc(OC)c1 ZINC000155594218 425921645 /nfs/dbraw/zinc/92/16/45/425921645.db2.gz JJGOPLUYGGKMIP-VQIMIIECSA-N 2 0 319.493 2.762 20 0 DFADRP CC[NH+]1CCN([C@@H](C)C[NH2+][C@@H](C)c2ccc(OC)c(F)c2)CC1 ZINC000155612411 425923334 /nfs/dbraw/zinc/92/33/34/425923334.db2.gz NHJOKAKHKZDMOP-GJZGRUSLSA-N 2 0 323.456 2.511 20 0 DFADRP CC[NH+]1CCN([C@H](C)C[NH2+][C@@H]2c3ccccc3C[C@@H]2C)CC1 ZINC000155627271 425922898 /nfs/dbraw/zinc/92/28/98/425922898.db2.gz LNPOBKKYFILTNB-FCEWJHQRSA-N 2 0 301.478 2.536 20 0 DFADRP C[NH+](C)Cc1cccc(C(=O)NC2CC[NH+](C(C)(C)C)CC2)c1 ZINC000155865631 425928889 /nfs/dbraw/zinc/92/88/89/425928889.db2.gz JEISRKOYOWRQGD-UHFFFAOYSA-N 2 0 317.477 2.741 20 0 DFADRP C[C@H](CCN[C@@H]1CC[N@H+](C)[C@@H](C)C1)[NH+](C)Cc1ccccc1 ZINC000156196181 425933112 /nfs/dbraw/zinc/93/31/12/425933112.db2.gz JCHQXSFIESPDGQ-ZIFCJYIRSA-N 2 0 303.494 2.969 20 0 DFADRP Cc1cc(C)cc(C[NH2+]C(C)(C)CCN2CC[NH+](C)CC2)c1 ZINC000185891505 267804326 /nfs/dbraw/zinc/80/43/26/267804326.db2.gz ZLCSVDZGQUNAEF-UHFFFAOYSA-N 2 0 303.494 2.809 20 0 DFADRP CC(C)c1nc([C@H](C)[NH2+]CCN2CCC([NH+](C)C)CC2)cs1 ZINC000186374164 267814772 /nfs/dbraw/zinc/81/47/72/267814772.db2.gz HDJOOXDEWARNBX-AWEZNQCLSA-N 2 0 324.538 2.943 20 0 DFADRP CC(C)[NH+](CCNC(=O)Nc1cccc(C[NH+](C)C)c1)C(C)C ZINC000044292573 425856085 /nfs/dbraw/zinc/85/60/85/425856085.db2.gz YWDPUNGQNXLQQP-UHFFFAOYSA-N 2 0 320.481 2.989 20 0 DFADRP C[NH+]1CCC(C[NH2+]Cc2csc(Br)c2)CC1 ZINC000044516363 425856724 /nfs/dbraw/zinc/85/67/24/425856724.db2.gz IODGZYCXYDQUIR-UHFFFAOYSA-N 2 0 303.269 2.942 20 0 DFADRP COC(=O)C1CCC([NH2+]CCCC[NH+]2CCC(C)CC2)CC1 ZINC000192439351 268037137 /nfs/dbraw/zinc/03/71/37/268037137.db2.gz XAOAYVQIQJPYKG-UHFFFAOYSA-N 2 0 310.482 2.820 20 0 DFADRP C[C@H]1C[C@H](N(C)Cc2ccc3c(c2)sc(=O)n3C)CC[N@@H+]1C ZINC000192625176 268043273 /nfs/dbraw/zinc/04/32/73/268043273.db2.gz BVESLBMCRIOTHN-GXTWGEPZSA-N 2 0 319.474 2.515 20 0 DFADRP CC[NH+]1CCN([C@H](C)C[NH2+]Cc2sccc2Cl)CC1 ZINC000193004898 268057101 /nfs/dbraw/zinc/05/71/01/268057101.db2.gz RTYCQXJCDICVKJ-GFCCVEGCSA-N 2 0 301.887 2.517 20 0 DFADRP CC[NH+]1CCN([C@H](C)C[NH2+]CC[C@@H](C)c2ccccc2)CC1 ZINC000194210631 268095456 /nfs/dbraw/zinc/09/54/56/268095456.db2.gz YIVCFOPOEXZMHJ-QZTJIDSGSA-N 2 0 303.494 2.796 20 0 DFADRP C[C@H](CC[NH2+][C@@H]1C[C@@H](C)[N@H+](C)C[C@@H]1C)NC(=O)OC(C)(C)C ZINC000221973557 268141365 /nfs/dbraw/zinc/14/13/65/268141365.db2.gz PKNLMTQTHUPQPB-GBJTYRQASA-N 2 0 313.486 2.608 20 0 DFADRP COc1ccc(C[NH2+]CC[C@H]2CC[NH2+]C2)cc1Br ZINC000259056152 268168987 /nfs/dbraw/zinc/16/89/87/268168987.db2.gz QSHVRLUEGTZAEW-LLVKDONJSA-N 2 0 313.239 2.547 20 0 DFADRP CC1CC[NH+](Cc2cccc(CNC(=O)C(C)(C)C[NH3+])c2)CC1 ZINC000236713670 268149322 /nfs/dbraw/zinc/14/93/22/268149322.db2.gz QXIUCLVMBKIREI-UHFFFAOYSA-N 2 0 317.477 2.520 20 0 DFADRP CCC[NH+]1CCC(CNC(=O)[C@@H]2CCCCCC[C@@H]2[NH3+])CC1 ZINC000236770681 268150614 /nfs/dbraw/zinc/15/06/14/268150614.db2.gz FULOPGNXRAIYFX-SJORKVTESA-N 2 0 309.498 2.522 20 0 DFADRP CCCC[C@H]([NH3+])C(=O)NCc1cccc(C[N@H+](C)C(C)C)c1 ZINC000236817975 268151855 /nfs/dbraw/zinc/15/18/55/268151855.db2.gz BIXIKNGONNDTPJ-KRWDZBQOSA-N 2 0 305.466 2.661 20 0 DFADRP CCCC[C@H]([NH3+])C(=O)Nc1ccc2ccn(CC[NH+](C)C)c2c1 ZINC000236858670 268152008 /nfs/dbraw/zinc/15/20/08/268152008.db2.gz JLNQAUHFJZWWGU-INIZCTEOSA-N 2 0 316.449 2.659 20 0 DFADRP C[C@H]([NH2+][C@H]1CCC[C@H]1CCO)c1cccc(OCC[NH+](C)C)c1 ZINC000250087292 268168279 /nfs/dbraw/zinc/16/82/79/268168279.db2.gz PVHOVTORFXHQLN-BXWFABGCSA-N 2 0 320.477 2.829 20 0 DFADRP [NH3+][C@H]1CCC[C@@H]1[NH2+]CCc1cc(Br)ccc1F ZINC000259189567 268168958 /nfs/dbraw/zinc/16/89/58/268168958.db2.gz WOBXNCKFZFOQPB-STQMWFEESA-N 2 0 301.203 2.600 20 0 DFADRP CN(C(=O)C[NH+]1CCC(C[NH+]2CCCC2)CC1)C1CCCCC1 ZINC000047969044 425872471 /nfs/dbraw/zinc/87/24/71/425872471.db2.gz UGXQBMIZESWHSG-UHFFFAOYSA-N 2 0 321.509 2.585 20 0 DFADRP CC(C)[N@H+](C)CCC[NH2+][C@H](C)c1cccc(-n2ccnn2)c1 ZINC000287269732 268276171 /nfs/dbraw/zinc/27/61/71/268276171.db2.gz AVUJACOKHRACAW-OAHLLOKOSA-N 2 0 301.438 2.648 20 0 DFADRP CC[C@H]1[NH2+]CC[C@H]1C(=O)NCc1cccc(C[NH+](CC)CC)c1 ZINC000289935398 268281483 /nfs/dbraw/zinc/28/14/83/268281483.db2.gz LDTHCQBPJFDFSX-QZTJIDSGSA-N 2 0 317.477 2.533 20 0 DFADRP CCC[C@@H](O)C[N@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000296361320 268303284 /nfs/dbraw/zinc/30/32/84/268303284.db2.gz RWMWPAPCSGUZTL-GOSISDBHSA-N 2 0 305.466 2.781 20 0 DFADRP C[C@H](C(=O)NC(C)(C)C)[NH+]1CCC(C[NH+]2CCCCCC2)CC1 ZINC000048564015 425875829 /nfs/dbraw/zinc/87/58/29/425875829.db2.gz WCWCEMMRXNRUJC-MRXNPFEDSA-N 2 0 323.525 2.878 20 0 DFADRP C[C@@H]1CN(C)CC[C@@H]1[NH2+][C@H]1CCCN(Cc2ccccc2)C1 ZINC000309775016 268335967 /nfs/dbraw/zinc/33/59/67/268335967.db2.gz YVIFQKRBUWFQDI-NEWSRXKRSA-N 2 0 301.478 2.581 20 0 DFADRP COc1ccc(C[N@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)c(Cl)c1OC ZINC000320114256 268347055 /nfs/dbraw/zinc/34/70/55/268347055.db2.gz NBIJCKHNDPKDLX-BETUJISGSA-N 2 0 324.852 2.789 20 0 DFADRP CON1CCC([NH2+][C@@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000323476844 268350292 /nfs/dbraw/zinc/35/02/92/268350292.db2.gz KZSOUEYSDCWUHY-WMZOPIPTSA-N 2 0 317.477 2.512 20 0 DFADRP CCc1noc(C2CCC([NH2+][C@H](C)[C@@H]3CCC[NH2+]C3)CC2)n1 ZINC000333182776 268380165 /nfs/dbraw/zinc/38/01/65/268380165.db2.gz QCJFHAIDAWXEPO-FEWQNLEASA-N 2 0 306.454 2.636 20 0 DFADRP C[C@H]1C[C@@H](C[NH2+]C2(c3noc(C4CC4)n3)CCCC2)CC[NH2+]1 ZINC000333202455 268382489 /nfs/dbraw/zinc/38/24/89/268382489.db2.gz YGNWSKUVACMLNV-STQMWFEESA-N 2 0 304.438 2.694 20 0 DFADRP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1NCC1([NH+]2CCCCC2)CCCCC1 ZINC000333299877 268390616 /nfs/dbraw/zinc/39/06/16/268390616.db2.gz PWUIOZBBUMYRAB-BZSNNMDCSA-N 2 0 323.525 2.517 20 0 DFADRP CC[N@@H+]1CC[C@@H]([NH2+]C[C@@H](c2ccc(F)cc2)N(C)C)[C@H](C)C1 ZINC000124789884 425939026 /nfs/dbraw/zinc/93/90/26/425939026.db2.gz ODWDRIZPRKSFIX-OLMNPRSZSA-N 2 0 307.457 2.748 20 0 DFADRP CC[NH+]1CCN([C@@H]2CC[N@H+](Cc3cc(C)ccc3C)C2)CC1 ZINC000107368972 425989531 /nfs/dbraw/zinc/98/95/31/425989531.db2.gz DOBWSHUJPHCBNA-LJQANCHMSA-N 2 0 301.478 2.515 20 0 DFADRP C[C@H]1CCC[N@H+](CCCC[NH2+][C@@H]2CCCc3c2cnn3C)C1 ZINC000157956023 425940840 /nfs/dbraw/zinc/94/08/40/425940840.db2.gz SHULJKMBWNCRDH-DOTOQJQBSA-N 2 0 304.482 2.899 20 0 DFADRP [NH3+]CC[C@@H]1CCC[N@H+](CCC(=O)Nc2ccccc2Cl)C1 ZINC000070170991 425969057 /nfs/dbraw/zinc/96/90/57/425969057.db2.gz NJEWOXQQSCEDIX-ZDUSSCGKSA-N 2 0 309.841 2.729 20 0 DFADRP COC[C@@H]([NH2+]CC1CC[NH+](Cc2cccs2)CC1)C1CC1 ZINC000125544054 425977932 /nfs/dbraw/zinc/97/79/32/425977932.db2.gz OBXHGLUJWMWOQK-QGZVFWFLSA-N 2 0 308.491 2.975 20 0 DFADRP CC(C)[NH+]1CCC(C(=O)NCCCC[NH+]2CCC(C)CC2)CC1 ZINC000073701654 426029934 /nfs/dbraw/zinc/02/99/34/426029934.db2.gz NPMCSOXHBQAWFN-UHFFFAOYSA-N 2 0 323.525 2.735 20 0 DFADRP CCCC[N@H+](C)CCNC(=O)c1cccc(C[NH+]2CCCC2)c1 ZINC000112309319 426071824 /nfs/dbraw/zinc/07/18/24/426071824.db2.gz GLMWVCHBEPFQAS-UHFFFAOYSA-N 2 0 317.477 2.744 20 0 DFADRP CCC[C@H](C(=O)N1CCC[C@H](C[NH+]2CCC(C)CC2)C1)[NH+](C)C ZINC000161860250 426042568 /nfs/dbraw/zinc/04/25/68/426042568.db2.gz DXLQQXRKLDDLCT-QZTJIDSGSA-N 2 0 323.525 2.687 20 0 DFADRP CCC[C@H](C(=O)N1CCC[C@@H](C[NH+]2CCC(C)CC2)C1)[NH+](C)C ZINC000161860526 426042914 /nfs/dbraw/zinc/04/29/14/426042914.db2.gz DXLQQXRKLDDLCT-ZWKOTPCHSA-N 2 0 323.525 2.687 20 0 DFADRP CC[N@@H+]1CC[C@H]([NH2+]CCn2c(C)nc3ccccc32)[C@H](C)C1 ZINC000162235041 426058148 /nfs/dbraw/zinc/05/81/48/426058148.db2.gz CTPNXEXPQCUOKE-ZBFHGGJFSA-N 2 0 300.450 2.665 20 0 DFADRP C[C@@H](C[NH2+][C@@H]1CCSc2ccc(F)cc21)N1CC[NH+](C)CC1 ZINC000127310985 426060129 /nfs/dbraw/zinc/06/01/29/426060129.db2.gz CPBDYTHATWAHKG-XJKSGUPXSA-N 2 0 323.481 2.588 20 0 DFADRP C[C@H](C[NH2+][C@H]1c2cccc(F)c2CC[C@@H]1C)N1CC[NH+](C)CC1 ZINC000127347488 426062726 /nfs/dbraw/zinc/06/27/26/426062726.db2.gz LGQMDDPQLJBXPB-QMTMVMCOSA-N 2 0 319.468 2.675 20 0 DFADRP C[C@@H]([NH2+]CCC[NH+]1CCCCC1)c1ccc(-n2cncn2)cc1 ZINC000162441550 426065607 /nfs/dbraw/zinc/06/56/07/426065607.db2.gz KTBUVGIZBWCUOL-MRXNPFEDSA-N 2 0 313.449 2.794 20 0 DFADRP Cc1nc(C(C)C)sc1[C@@H](C)[NH2+]CCCN1CC[NH+](C)CC1 ZINC000162497824 426067182 /nfs/dbraw/zinc/06/71/82/426067182.db2.gz XBBOZFUZQJALIS-CQSZACIVSA-N 2 0 324.538 2.863 20 0 DFADRP C[C@H]([NH2+]Cc1cccc(OCC[NH+](C)C)c1)c1cncs1 ZINC000162554360 426068616 /nfs/dbraw/zinc/06/86/16/426068616.db2.gz RVZXITKLENETII-ZDUSSCGKSA-N 2 0 305.447 2.934 20 0 DFADRP C[C@@H]1CC[C@@H]([NH2+]CCCN2CC[NH+](C)CC2)c2ccccc21 ZINC000162544705 426068763 /nfs/dbraw/zinc/06/87/63/426068763.db2.gz PRZFPYWJDVPWOO-VQIMIIECSA-N 2 0 301.478 2.852 20 0 DFADRP CCCc1cc(N2C[C@H]3OCC[N@H+](C)[C@@H]3C2)c2ccccc2[nH+]1 ZINC000126228306 426011415 /nfs/dbraw/zinc/01/14/15/426011415.db2.gz UGURNIXEJBGQLG-RTBURBONSA-N 2 0 311.429 2.707 20 0 DFADRP CC[C@H](C(=O)NC[C@@H](c1ccc(C)cc1)[NH+]1CCCC1)[NH+](C)C ZINC000126492274 426021890 /nfs/dbraw/zinc/02/18/90/426021890.db2.gz ALNMERYBDNCRLF-MSOLQXFVSA-N 2 0 317.477 2.588 20 0 DFADRP C[C@H](C[NH2+][C@H](C)c1cc2ccccc2o1)N1CC[NH+](C)CC1 ZINC000127800215 426087295 /nfs/dbraw/zinc/08/72/95/426087295.db2.gz YZHRLAZQVMVHNC-HUUCEWRRSA-N 2 0 301.434 2.719 20 0 DFADRP Cc1ccc(C[C@@H]([NH2+]C[C@H](C)N2CC[NH+](C)CC2)C2CC2)cc1 ZINC000127869896 426089677 /nfs/dbraw/zinc/08/96/77/426089677.db2.gz MPLKYKRHRZERQX-FXAWDEMLSA-N 2 0 315.505 2.542 20 0 DFADRP [NH3+][C@@H](CCC(=O)NCCC[NH+]1CCCCCC1)c1ccccc1 ZINC000163608180 426104772 /nfs/dbraw/zinc/10/47/72/426104772.db2.gz IGDDYBKQWQXTGR-SFHVURJKSA-N 2 0 317.477 2.849 20 0 DFADRP C[C@@H]([NH2+]CCCN1CCC[N@H+](C)CC1)c1ccc2c(c1)CCC2 ZINC000128301845 426110928 /nfs/dbraw/zinc/11/09/28/426110928.db2.gz HKAZAMTZXPBVSZ-QGZVFWFLSA-N 2 0 315.505 2.854 20 0 DFADRP C[N@@H+]1CCCN(CCC[NH2+][C@@H]2CCSc3ccccc32)CC1 ZINC000128295129 426111564 /nfs/dbraw/zinc/11/15/64/426111564.db2.gz JNSUXPMYMNGBKD-QGZVFWFLSA-N 2 0 319.518 2.841 20 0 DFADRP C[C@H]1C[C@H]([NH2+]CC(C)(C)NC(=O)OC(C)(C)C)CN1C1CC1 ZINC000164099488 426111778 /nfs/dbraw/zinc/11/17/78/426111778.db2.gz YXYBEJDCWQNWPJ-STQMWFEESA-N 2 0 311.470 2.505 20 0 DFADRP Cc1cc(C[NH+](C)C)cc(NC(=O)[C@H](C2CC2)[NH+]2CCCC2)c1 ZINC000128460964 426118240 /nfs/dbraw/zinc/11/82/40/426118240.db2.gz BCEUXRYSSAHQEN-SFHVURJKSA-N 2 0 315.461 2.870 20 0 DFADRP CC[C@H](Cc1ccccc1)[NH2+]CCCN1CCC[N@H+](C)CC1 ZINC000128491792 426118578 /nfs/dbraw/zinc/11/85/78/426118578.db2.gz ZMHPDOZGMJFYEE-LJQANCHMSA-N 2 0 303.494 2.625 20 0 DFADRP C[N@H+](CCCF)CC1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000128529036 426121704 /nfs/dbraw/zinc/12/17/04/426121704.db2.gz ILBYYNYIPJNSAF-SFHVURJKSA-N 2 0 308.441 2.723 20 0 DFADRP CC(=O)Nc1ccc(CC[NH2+][C@@H]2C[C@H](C)[N@@H+](C)C[C@H]2C)cc1 ZINC000165629562 426123085 /nfs/dbraw/zinc/12/30/85/426123085.db2.gz JCWOKPLSMXLYPS-QWQRMKEZSA-N 2 0 303.450 2.506 20 0 DFADRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@@H](C)c1ccc(F)cc1F ZINC000165965730 426124295 /nfs/dbraw/zinc/12/42/95/426124295.db2.gz XDZKPFAWFGBEGC-GXTWGEPZSA-N 2 0 300.393 2.972 20 0 DFADRP CCO[C@@H](CC[NH+](C)C)C[NH2+][C@H]1CCc2ccc(OC)cc21 ZINC000165969310 426124860 /nfs/dbraw/zinc/12/48/60/426124860.db2.gz AXNPVBXMJSNGIH-WMZOPIPTSA-N 2 0 306.450 2.629 20 0 DFADRP CCO[C@@H](CC[NH+](C)C)C[NH2+][C@@H]1CSCCc2ccccc21 ZINC000166034752 426125633 /nfs/dbraw/zinc/12/56/33/426125633.db2.gz BGUXCACYTURKPE-FUHWJXTLSA-N 2 0 322.518 2.963 20 0 DFADRP C[C@H]1C[C@@H](N[C@@H]2CC[NH+](C)[C@H](C)C2)C[N@@H+]1Cc1ccccc1 ZINC000166337235 426127199 /nfs/dbraw/zinc/12/71/99/426127199.db2.gz AZPRWTRAZHBWOO-UKBAYJJMSA-N 2 0 301.478 2.722 20 0 DFADRP Cc1ccc2c(c1)[C@H]([NH2+]C[C@H](C)N1CC[NH+](C)CC1)CCC2 ZINC000166507554 426128611 /nfs/dbraw/zinc/12/86/11/426128611.db2.gz PURWRBKISVODED-QFBILLFUSA-N 2 0 301.478 2.598 20 0 DFADRP CC(C)CC[N@@H+]1Cc2cccc(NC(=O)[C@@H]3CCC[NH2+]C3)c2C1 ZINC000166933726 426129427 /nfs/dbraw/zinc/12/94/27/426129427.db2.gz OPAQZIBWFRETGP-OAHLLOKOSA-N 2 0 315.461 2.986 20 0 DFADRP C[C@@H](C(=O)Nc1cccc(C[NH+](C)C)c1)[NH+]1CCCCCC1 ZINC000114235107 426129984 /nfs/dbraw/zinc/12/99/84/426129984.db2.gz PPMNMUKQQJJRNT-HNNXBMFYSA-N 2 0 303.450 2.951 20 0 DFADRP C[C@@H]([NH2+]C[C@@]1(C)CCCO1)c1ccc(OCC[NH+](C)C)cc1 ZINC000167019937 426131525 /nfs/dbraw/zinc/13/15/25/426131525.db2.gz DHAALFZRNBRDDG-CRAIPNDOSA-N 2 0 306.450 2.847 20 0 DFADRP CCCC[C@H](C[NH3+])NC(=O)[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000162891391 426080933 /nfs/dbraw/zinc/08/09/33/426080933.db2.gz KSOFZOUVGOHIMH-QZTJIDSGSA-N 2 0 317.477 2.675 20 0 DFADRP C[C@H]1C[C@@H]([NH2+]CC2=CCCOC2)CC[N@@H+]1Cc1ccccc1 ZINC000127763184 426085258 /nfs/dbraw/zinc/08/52/58/426085258.db2.gz XAYKGQKMUMZFIY-LPHOPBHVSA-N 2 0 300.446 2.976 20 0 DFADRP C[C@H](C[NH+]1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1)c1ccccc1 ZINC000116879076 426200842 /nfs/dbraw/zinc/20/08/42/426200842.db2.gz FSNMNLMEANXTBQ-QUCCMNQESA-N 2 0 315.505 2.892 20 0 DFADRP C[C@H](C[NH2+][C@H](C)c1ccc2c(c1)OCCO2)C[NH+]1CCCC1 ZINC000171141592 426172061 /nfs/dbraw/zinc/17/20/61/426172061.db2.gz SHOFFSCWZBEKDW-HUUCEWRRSA-N 2 0 304.434 2.840 20 0 DFADRP CC1=CCC[C@H](C)[C@@H]1C[NH2+]CC1CC[NH+](CCN(C)C)CC1 ZINC000134155858 426186713 /nfs/dbraw/zinc/18/67/13/426186713.db2.gz POMMPOCRGLWIMN-PKOBYXMFSA-N 2 0 307.526 2.842 20 0 DFADRP C[NH+](C)CC(C)(C)C[NH2+]C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000078965798 426187892 /nfs/dbraw/zinc/18/78/92/426187892.db2.gz WOTFMVXJCRFQPT-UHFFFAOYSA-N 2 0 313.486 2.563 20 0 DFADRP CC[NH+](CC)[C@@H](CNC(=O)[C@@]1(CC)CCC[NH2+]1)c1ccsc1 ZINC000134568136 426188513 /nfs/dbraw/zinc/18/85/13/426188513.db2.gz IBQOUXGHVSLDOX-DOTOQJQBSA-N 2 0 323.506 2.779 20 0 DFADRP c1cc(C[NH+]2CCC(C[NH+]3CCOCC3)CC2)cc2c1CCC2 ZINC000172289537 426224972 /nfs/dbraw/zinc/22/49/72/426224972.db2.gz GWOUGKSCFPPZEW-UHFFFAOYSA-N 2 0 314.473 2.720 20 0 DFADRP COc1ccc(OCCC[N@H+](C)C[C@@H]2CCC[NH+](C)C2)cc1 ZINC000118841507 426247708 /nfs/dbraw/zinc/24/77/08/426247708.db2.gz WMLWADQUONLZAV-MRXNPFEDSA-N 2 0 306.450 2.738 20 0 DFADRP CC(C)[C@@H](C(=O)N[C@H](C)C(C)(C)C[NH+](C)C)[NH+]1CCCCC1 ZINC000085290346 426249735 /nfs/dbraw/zinc/24/97/35/426249735.db2.gz WNOIJCZERORYKP-CVEARBPZSA-N 2 0 311.514 2.589 20 0 DFADRP Cc1ccc(NC(=O)C[NH+]2CCC(CC[NH+](C)C)CC2)cc1 ZINC000118868571 426250545 /nfs/dbraw/zinc/25/05/45/426250545.db2.gz JAIPVPCZFJUGFF-UHFFFAOYSA-N 2 0 303.450 2.597 20 0 DFADRP CC[C@@H]([NH2+]C1CCN(CC[NH+](C)C)CC1)c1cccc(OC)c1 ZINC000150955671 426268781 /nfs/dbraw/zinc/26/87/81/426268781.db2.gz JNJRJKUJIHALNA-LJQANCHMSA-N 2 0 319.493 2.762 20 0 DFADRP C[C@@H]([NH2+]C1CCN(CC[NH+](C)C)CC1)c1cc(F)ccc1F ZINC000150952322 426269523 /nfs/dbraw/zinc/26/95/23/426269523.db2.gz QVYMFJWSMSWBSD-CYBMUJFWSA-N 2 0 311.420 2.641 20 0 DFADRP Cc1ccc([C@H](C)[NH2+]C2CCN(CC[NH+](C)C)CC2)c(C)c1 ZINC000150985024 426270832 /nfs/dbraw/zinc/27/08/32/426270832.db2.gz KXNBSYMZMQLNCE-KRWDZBQOSA-N 2 0 303.494 2.980 20 0 DFADRP CCC[C@@H](C)[C@H]1CCC[N@@H+]1CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000135331395 426214675 /nfs/dbraw/zinc/21/46/75/426214675.db2.gz UDFFDYXWFBKARI-CRAIPNDOSA-N 2 0 321.509 2.630 20 0 DFADRP CCc1nc2c(s1)[C@@H](NC[C@H](O)C[NH+]1CCCCC1)CCC2 ZINC000151295857 426288560 /nfs/dbraw/zinc/28/85/60/426288560.db2.gz SUPOXYREJDXVCY-KBPBESRZSA-N 2 0 323.506 2.519 20 0 DFADRP Cc1ccc(NC(=O)[C@@H](C)N(C)C[C@@H]2CCC[N@H+](C)C2)c(F)c1 ZINC000152351126 426339550 /nfs/dbraw/zinc/33/95/50/426339550.db2.gz KPTQTCQHAGYODG-HUUCEWRRSA-N 2 0 321.440 2.735 20 0 DFADRP CN(CCCn1ccnc1)Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000119579108 426298858 /nfs/dbraw/zinc/29/88/58/426298858.db2.gz QBLPRGJENMWSED-UHFFFAOYSA-N 2 0 308.769 2.967 20 0 DFADRP C[C@H](CCn1cccn1)[NH2+][C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000119675867 426301454 /nfs/dbraw/zinc/30/14/54/426301454.db2.gz MELWRVODBQREHZ-BRWVUGGUSA-N 2 0 304.482 2.904 20 0 DFADRP CC[N@@H+]1CC[C@H]([NH2+]CCCN(C)C(=O)OC(C)(C)C)[C@H](C)C1 ZINC000120253993 426308450 /nfs/dbraw/zinc/30/84/50/426308450.db2.gz WVQHQBKHTXNDMW-CABCVRRESA-N 2 0 313.486 2.563 20 0 DFADRP c1c(C[NH2+]CCCCC[NH+]2CCCC2)[nH]nc1-c1cccnc1 ZINC000339500356 268826349 /nfs/dbraw/zinc/82/63/49/268826349.db2.gz OTWRFFWEAACBIT-UHFFFAOYSA-N 2 0 313.449 2.827 20 0 DFADRP OCC[NH+]1CCC(C[NH2+][C@@H]2CCSc3ccccc32)CC1 ZINC000151813633 426312825 /nfs/dbraw/zinc/31/28/25/426312825.db2.gz IRJQQAZQYSLBTE-MRXNPFEDSA-N 2 0 306.475 2.517 20 0 DFADRP Cc1ccc(C)c([C@@H](C)[NH2+]C[C@H](C)CN2CC[NH+](C)CC2)c1 ZINC000120860580 426316236 /nfs/dbraw/zinc/31/62/36/426316236.db2.gz GOIUGQUZDIUOPM-FUHWJXTLSA-N 2 0 303.494 2.838 20 0 DFADRP C[C@H]1C[C@@H]([NH2+]CC2(c3ccc(F)cc3)CCOCC2)CC[N@@H+]1C ZINC000152043275 426324545 /nfs/dbraw/zinc/32/45/45/426324545.db2.gz HJHZOTZQMJZFPK-YJBOKZPZSA-N 2 0 320.452 2.946 20 0 DFADRP Cc1cnccc1NC(=O)N1CCC([NH2+]C2CCCC2)CC1 ZINC000121251895 426328892 /nfs/dbraw/zinc/32/88/92/426328892.db2.gz HUOZCMWITUBSNW-UHFFFAOYSA-N 2 0 302.422 2.919 20 0 DFADRP CSCC[NH+]1CCC(CC[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000175796470 426329301 /nfs/dbraw/zinc/32/93/01/426329301.db2.gz KIWRYWXHVZSMNT-GJZGRUSLSA-N 2 0 300.512 2.561 20 0 DFADRP CSCC[NH+]1CCC(CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000175796455 426329899 /nfs/dbraw/zinc/32/98/99/426329899.db2.gz KIWRYWXHVZSMNT-GASCZTMLSA-N 2 0 300.512 2.561 20 0 DFADRP COCCCOc1cccc(C[NH2+][C@H]2C[C@@H](C)[N@H+](C)C[C@H]2C)c1 ZINC000090719021 426331156 /nfs/dbraw/zinc/33/11/56/426331156.db2.gz OFWMLPAHEWCJLQ-MDZRGWNJSA-N 2 0 320.477 2.920 20 0 DFADRP COc1cccc(C[C@@H]([NH2+]CC2CC[NH+](C)CC2)C2CC2)c1 ZINC000121287043 426332064 /nfs/dbraw/zinc/33/20/64/426332064.db2.gz WIAWVJDQTIBMSJ-LJQANCHMSA-N 2 0 302.462 2.948 20 0 DFADRP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@H](C)c2ccccc2C)CC1 ZINC000121303525 426332703 /nfs/dbraw/zinc/33/27/03/426332703.db2.gz KSHGMYZSZXAFLX-SJLPKXTDSA-N 2 0 303.494 2.919 20 0 DFADRP COc1ccc(OC)c(CCC[NH2+][C@H]2C[C@@H](C)[N@H+](C)C[C@H]2C)c1 ZINC000090888415 426332990 /nfs/dbraw/zinc/33/29/90/426332990.db2.gz SLGMYTWHEOTQEK-RKVPGOIHSA-N 2 0 320.477 2.955 20 0 DFADRP Cc1c(C[NH2+][C@@H](C)c2ccc(OCC[NH+](C)C)cc2)cnn1C ZINC000090887924 426333465 /nfs/dbraw/zinc/33/34/65/426333465.db2.gz UIQDDAGOAOFHIP-AWEZNQCLSA-N 2 0 316.449 2.520 20 0 DFADRP Cc1c(C[NH2+][C@@H](C)c2cccc(OCC[NH+](C)C)c2)cnn1C ZINC000090887950 426333545 /nfs/dbraw/zinc/33/35/45/426333545.db2.gz XTZKRXIRGWREHS-AWEZNQCLSA-N 2 0 316.449 2.520 20 0 DFADRP C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1N[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000152286135 426336636 /nfs/dbraw/zinc/33/66/36/426336636.db2.gz YVZJAPUXWUBQST-PBWTXFEYSA-N 2 0 301.478 2.579 20 0 DFADRP C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1N[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000152285923 426336828 /nfs/dbraw/zinc/33/68/28/426336828.db2.gz YVZJAPUXWUBQST-RNIPGJKVSA-N 2 0 301.478 2.579 20 0 DFADRP [NH3+]C[C@H]1CCC[C@@H]1[NH2+]Cc1cc(Br)ccc1F ZINC000089150338 426281675 /nfs/dbraw/zinc/28/16/75/426281675.db2.gz RZJIGZXORBPKJZ-RNCFNFMXSA-N 2 0 301.203 2.805 20 0 DFADRP CC[C@H]([NH2+]CC1CCN(c2cc[nH+]cc2)CC1)c1cnn(C)c1 ZINC000089214879 426282612 /nfs/dbraw/zinc/28/26/12/426282612.db2.gz IQZMKTXTSLOAIK-SFHVURJKSA-N 2 0 313.449 2.772 20 0 DFADRP C[N@@H+]1CCC[C@@H](C[NH2+]C2CCC(C(=O)OC(C)(C)C)CC2)C1 ZINC000092565364 426349655 /nfs/dbraw/zinc/34/96/55/426349655.db2.gz XNDIOZNIFUZEJI-FHERZECASA-N 2 0 310.482 2.818 20 0 DFADRP C[C@H]1C[C@H]([NH2+]C[C@@H]2CCN(c3ccc(F)cc3)C2)CC[N@@H+]1C ZINC000152769410 426353382 /nfs/dbraw/zinc/35/33/82/426353382.db2.gz HXXGADDQAFIHTP-YQQAZPJKSA-N 2 0 305.441 2.724 20 0 DFADRP C[C@@H]1C[N@H+](C)CC[C@@H]1NCc1ccnc(OC2CCCC2)c1 ZINC000153351155 426381814 /nfs/dbraw/zinc/38/18/14/426381814.db2.gz YFDGYMZQNMKEHC-PBHICJAKSA-N 2 0 303.450 2.833 20 0 DFADRP Cc1nccn1CCCC[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000122585567 426383173 /nfs/dbraw/zinc/38/31/73/426383173.db2.gz PHQCUCWTKMCEPV-UHFFFAOYSA-N 2 0 304.482 2.780 20 0 DFADRP C[C@@H](c1ccc(F)c(F)c1)[N@H+](C)CCCN1CC[NH+](C)CC1 ZINC000122662779 426387154 /nfs/dbraw/zinc/38/71/54/426387154.db2.gz JOYMNSFCLFBXFN-AWEZNQCLSA-N 2 0 311.420 2.595 20 0 DFADRP CCSCC[NH+]1CCC(C[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000123042039 426410155 /nfs/dbraw/zinc/41/01/55/426410155.db2.gz MLAOMLUHFGETFQ-GJZGRUSLSA-N 2 0 300.512 2.561 20 0 DFADRP CC[C@H](CN[C@@H]1CC[N@H+](C)[C@H](C)C1)[NH+]1CCc2ccccc2C1 ZINC000123093403 426414268 /nfs/dbraw/zinc/41/42/68/426414268.db2.gz DXIXTGYZANKKGE-NSISKUIASA-N 2 0 315.505 2.896 20 0 DFADRP Cc1ccccc1C[NH+]1CCN(CC[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC000154012833 426419082 /nfs/dbraw/zinc/41/90/82/426419082.db2.gz PBENOJDRGDTMBL-RTBURBONSA-N 2 0 315.505 2.985 20 0 DFADRP Cc1ccc([C@@H](CN[C@@H]2CC[N@@H+](C)C[C@@H]2C)[NH+]2CCCC2)o1 ZINC000154030453 426420177 /nfs/dbraw/zinc/42/01/77/426420177.db2.gz MJRKKOJOPLBJTH-USXIJHARSA-N 2 0 305.466 2.655 20 0 DFADRP Cc1ccc([C@@H](CN[C@H]2CC[N@H+](C)[C@H](C)C2)[NH+]2CCCC2)o1 ZINC000154015984 426420470 /nfs/dbraw/zinc/42/04/70/426420470.db2.gz PXRHZTPUEKLCHQ-HYVNUMGLSA-N 2 0 305.466 2.797 20 0 DFADRP C[C@H]1C[C@@H]1c1ccc(C[NH2+]CCN2CCC([NH+](C)C)CC2)o1 ZINC000176990059 426431438 /nfs/dbraw/zinc/43/14/38/426431438.db2.gz DHHAFMKHJYSXIM-YOEHRIQHSA-N 2 0 305.466 2.519 20 0 DFADRP CCN1CC[NH+](CCCC[NH2+][C@@H]2c3ccccc3C[C@H]2C)CC1 ZINC000154478556 426442925 /nfs/dbraw/zinc/44/29/25/426442925.db2.gz PLKCHVKMTQSSSO-XLIONFOSSA-N 2 0 315.505 2.927 20 0 DFADRP CCN1CC[NH+](CCCC[NH2+][C@H](C)c2ccc(F)cc2)CC1 ZINC000154528105 426443443 /nfs/dbraw/zinc/44/34/43/426443443.db2.gz RISJRWQETZROPO-MRXNPFEDSA-N 2 0 307.457 2.894 20 0 DFADRP COCC[N@H+](C)CCC[NH2+][C@H]1CCCc2cc(OC)ccc21 ZINC000153783333 426407013 /nfs/dbraw/zinc/40/70/13/426407013.db2.gz VZRMKQZAFMHHCR-SFHVURJKSA-N 2 0 306.450 2.631 20 0 DFADRP C[NH+](C)CC1CCN(Cc2noc(-c3ccccc3)n2)CC1 ZINC000341170109 269051912 /nfs/dbraw/zinc/05/19/12/269051912.db2.gz JXJRJBMBDQXNLM-UHFFFAOYSA-N 2 0 300.406 2.510 20 0 DFADRP COCC(C)(C)C[NH2+]Cc1ccc(OC2CC[NH+](C)CC2)cc1 ZINC000341280932 269060062 /nfs/dbraw/zinc/06/00/62/269060062.db2.gz WSNZVFSJOSSWQT-UHFFFAOYSA-N 2 0 320.477 2.922 20 0 DFADRP C[C@@H]([NH2+]C[C@H](O)CN1CCc2ccccc2C1)C1CCCCC1 ZINC000177209384 426454279 /nfs/dbraw/zinc/45/42/79/426454279.db2.gz YZQFTBUUYSMBJK-UZLBHIALSA-N 2 0 316.489 2.964 20 0 DFADRP CC[N@@H+]1CC[C@H]([NH2+][C@@H]2CCN(c3ccc(F)cc3F)C2)[C@H](C)C1 ZINC000155432323 426470797 /nfs/dbraw/zinc/47/07/97/426470797.db2.gz VZBJFZHYFFERMA-UNEWFSDZSA-N 2 0 323.431 2.863 20 0 DFADRP Cc1cccc(NC(=O)C[NH+]2CCC(CC[NH+](C)C)CC2)c1 ZINC000124136645 426471663 /nfs/dbraw/zinc/47/16/63/426471663.db2.gz JLVXIDHWRCSFSH-UHFFFAOYSA-N 2 0 303.450 2.597 20 0 DFADRP C[C@H]1C[NH+](CCC2CC[NH+](Cc3cccnc3)CC2)C[C@H](C)O1 ZINC000177479312 426482514 /nfs/dbraw/zinc/48/25/14/426482514.db2.gz BWVXNVMLEPOCPN-IRXDYDNUSA-N 2 0 317.477 2.793 20 0 DFADRP COc1ccccc1[C@@H](C)[NH2+]CC1CC[NH+](CCN(C)C)CC1 ZINC000124400859 426483097 /nfs/dbraw/zinc/48/30/97/426483097.db2.gz RHIRUJUSVJXDNQ-MRXNPFEDSA-N 2 0 319.493 2.619 20 0 DFADRP CC[NH+](CC)CCC[C@@H](C)NC(=O)c1ccc(C[NH+](C)C)cc1 ZINC000101650326 426485683 /nfs/dbraw/zinc/48/56/83/426485683.db2.gz FYRHEWGNXQEUKZ-MRXNPFEDSA-N 2 0 319.493 2.989 20 0 DFADRP CCCC[NH+]1CCC(NC(=O)[C@H](C)[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC000101659274 426486026 /nfs/dbraw/zinc/48/60/26/426486026.db2.gz WMCUAAQHAAZTFQ-JYJNAYRXSA-N 2 0 309.498 2.628 20 0 DFADRP CC[NH+]1CCN(CCCC[NH2+][C@H](C)c2sc(C)nc2C)CC1 ZINC000178005155 426555069 /nfs/dbraw/zinc/55/50/69/426555069.db2.gz TYRPCBRRHNCZPP-CQSZACIVSA-N 2 0 324.538 2.828 20 0 DFADRP Cc1nccn1CC[NH2+][C@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272485133 426538265 /nfs/dbraw/zinc/53/82/65/426538265.db2.gz MMCKRRFTYYELSL-APWZRJJASA-N 2 0 312.461 2.692 20 0 DFADRP Cc1ccccc1C1CC([NH2+][C@H](C)CCN2CC[NH+](C)CC2)C1 ZINC000186577364 426555246 /nfs/dbraw/zinc/55/52/46/426555246.db2.gz WEVMGTKNAJSVLZ-LMDPOFIKSA-N 2 0 315.505 2.857 20 0 DFADRP c1cc2c(cccc2C[NH2+]CC2(N3CCCC3)CCOCC2)[nH]1 ZINC000264390225 426545712 /nfs/dbraw/zinc/54/57/12/426545712.db2.gz RKLHUJZXJWTMGK-UHFFFAOYSA-N 2 0 313.445 2.903 20 0 DFADRP Cc1ccc2c(c1)[C@@H]([NH2+][C@@H](C)CCN1CC[NH+](C)CC1)CCC2 ZINC000186575480 426555354 /nfs/dbraw/zinc/55/53/54/426555354.db2.gz BCPXRLBSLDTZFK-PXNSSMCTSA-N 2 0 315.505 2.988 20 0 DFADRP CC(C)[N@H+](C)Cc1cccc(CNC(=O)[C@@H]2CCC[NH2+][C@@H]2C)c1 ZINC000288885974 426547102 /nfs/dbraw/zinc/54/71/02/426547102.db2.gz ZYDHWFWHNWJXDT-CRAIPNDOSA-N 2 0 317.477 2.531 20 0 DFADRP C[C@H](O)C[NH+]1CCC(C[N@H+](C)Cc2cccc(Cl)c2)CC1 ZINC000264420218 426548876 /nfs/dbraw/zinc/54/88/76/426548876.db2.gz ZZMMIKMETBMXCU-AWEZNQCLSA-N 2 0 310.869 2.865 20 0 DFADRP O=c1[nH]c2ccccc2cc1C[N@@H+]1CCC[C@@H]1Cn1ccnc1 ZINC000177993472 426552366 /nfs/dbraw/zinc/55/23/66/426552366.db2.gz NUVJFCUCIKMRPR-MRXNPFEDSA-N 2 0 308.385 2.802 20 0 DFADRP CC(C)[NH+]1CCC(NC(=O)C[NH+]2CCC(C)(C(C)C)CC2)CC1 ZINC000186194758 426492433 /nfs/dbraw/zinc/49/24/33/426492433.db2.gz JXCJPSKEBUCPHN-UHFFFAOYSA-N 2 0 323.525 2.734 20 0 DFADRP CCO[C@@H]1C[C@@H]([NH2+]CCC[N@@H+]2CCCC[C@@H]2C)C12CCOCC2 ZINC000186212741 426494166 /nfs/dbraw/zinc/49/41/66/426494166.db2.gz TZUGRGSOKQNDJA-RCCFBDPRSA-N 2 0 324.509 2.815 20 0 DFADRP CC(C)c1nc([C@H](C)[NH2+]CCCN2CCC[N@H+](C)CC2)cs1 ZINC000186322468 426503821 /nfs/dbraw/zinc/50/38/21/426503821.db2.gz QFGNDXRYUCWBQW-HNNXBMFYSA-N 2 0 324.538 2.945 20 0 DFADRP C[C@H]1C[C@H](N[C@H](c2cnn(C)c2)c2ccc(F)cc2)CC[N@@H+]1C ZINC000186638126 426569829 /nfs/dbraw/zinc/56/98/29/426569829.db2.gz JNVPVZDXJPXBLM-VHSSKADRSA-N 2 0 316.424 2.721 20 0 DFADRP c1cn(-c2ccc(-c3noc([C@@H]4CCCN4C4CC4)n3)cn2)cn1 ZINC000289061234 426575423 /nfs/dbraw/zinc/57/54/23/426575423.db2.gz RYKTWPGJIDUOKF-AWEZNQCLSA-N 2 0 322.372 2.617 20 0 DFADRP CC[NH+]1CCN([C@@H](C)C[NH2+][C@H](Cc2ccccc2)C(C)C)CC1 ZINC000187003866 426620909 /nfs/dbraw/zinc/62/09/09/426620909.db2.gz IKQNMYVAMYWAKW-AZUAARDMSA-N 2 0 317.521 2.869 20 0 DFADRP C[C@H]([NH2+]CC(C)(C)CCO)c1ccc(OCC[NH+](C)C)cc1 ZINC000178161667 426580720 /nfs/dbraw/zinc/58/07/20/426580720.db2.gz SOSWDJKQMXWWAI-HNNXBMFYSA-N 2 0 308.466 2.686 20 0 DFADRP COC(=O)c1ccccc1CC[NH+]1CCC(CC[NH+](C)C)CC1 ZINC000186728084 426586017 /nfs/dbraw/zinc/58/60/17/426586017.db2.gz MWWSNDVUTQDBFK-UHFFFAOYSA-N 2 0 318.461 2.679 20 0 DFADRP COCc1ccc(CN(CCC[NH+](C)C)CCC[NH+](C)C)cc1 ZINC000289143821 426590445 /nfs/dbraw/zinc/59/04/45/426590445.db2.gz ANHXRPDWKHJCEJ-UHFFFAOYSA-N 2 0 321.509 2.538 20 0 DFADRP C[C@H]([NH2+]CCN1CC[NH+](Cc2ccccc2)CC1)c1ccoc1 ZINC000178339571 426609871 /nfs/dbraw/zinc/60/98/71/426609871.db2.gz LUXBPWMAMYSQFG-KRWDZBQOSA-N 2 0 313.445 2.748 20 0 DFADRP C[C@@H]([NH2+]CCN1CC[NH+](Cc2ccccc2)CC1)c1ccoc1 ZINC000178339577 426610833 /nfs/dbraw/zinc/61/08/33/426610833.db2.gz LUXBPWMAMYSQFG-QGZVFWFLSA-N 2 0 313.445 2.748 20 0 DFADRP Cc1ccc(CC[C@H](C)[NH2+][C@H](C)CCN2CC[NH+](C)CC2)cc1 ZINC000186582080 426556921 /nfs/dbraw/zinc/55/69/21/426556921.db2.gz SUCOLFWGSRLHNU-RBUKOAKNSA-N 2 0 317.521 2.932 20 0 DFADRP C[C@H]([NH2+]CCOCC1CC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272562913 426558412 /nfs/dbraw/zinc/55/84/12/426558412.db2.gz UOUSNFBQMNJWLE-QFBILLFUSA-N 2 0 302.462 2.913 20 0 DFADRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+]C1CCC(C(F)(F)F)CC1 ZINC000186598398 426562215 /nfs/dbraw/zinc/56/22/15/426562215.db2.gz CHUVHHDNHLURNP-WLYUNCDWSA-N 2 0 321.431 2.723 20 0 DFADRP CC[C@@H](C(=O)NC[C@H](c1ccco1)[NH+]1CCCC1)[NH+](CC)CC ZINC000265423125 426634671 /nfs/dbraw/zinc/63/46/71/426634671.db2.gz JRAKMSZDPTZZQG-JKSUJKDBSA-N 2 0 321.465 2.653 20 0 DFADRP Cc1ccc(NC(=O)CC2CC[NH+](C)CC2)c(C[NH+](C)C)c1 ZINC000273284851 426636287 /nfs/dbraw/zinc/63/62/87/426636287.db2.gz XDSYFIQVVYIFQM-UHFFFAOYSA-N 2 0 303.450 2.727 20 0 DFADRP C[C@@H]([NH2+]C1CC[NH+](C[C@H]2CCOC2)CC1)C1CCSCC1 ZINC000187224209 426640277 /nfs/dbraw/zinc/64/02/77/426640277.db2.gz JCOHCIOIFIUPHD-HUUCEWRRSA-N 2 0 312.523 2.609 20 0 DFADRP Cc1cc(Cl)ccc1NC(=O)CN(C)[C@H]1CCC[NH2+]CC1 ZINC000231668924 426651489 /nfs/dbraw/zinc/65/14/89/426651489.db2.gz DCYCWPQZIFRIAI-AWEZNQCLSA-N 2 0 309.841 2.661 20 0 DFADRP c1ccc(CC[NH+]2CCC([NH2+]C[C@H]3CCCOC3)CC2)cc1 ZINC000236600676 426665771 /nfs/dbraw/zinc/66/57/71/426665771.db2.gz WXFKPCKPICIAQT-GOSISDBHSA-N 2 0 302.462 2.710 20 0 DFADRP CC[NH+](CC)CCC[C@@H](C)NC(=O)C[C@@H]([NH3+])c1ccccc1 ZINC000236854708 426687070 /nfs/dbraw/zinc/68/70/70/426687070.db2.gz UGXHRFZLDGPMKE-NVXWUHKLSA-N 2 0 305.466 2.703 20 0 DFADRP CC[C@]1(C[NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)OCCc2ccccc21 ZINC000289614773 426671310 /nfs/dbraw/zinc/67/13/10/426671310.db2.gz DGUOEJCTIULMEA-KVSKMBFKSA-N 2 0 302.462 2.937 20 0 DFADRP CCC(CC)(C[NH3+])C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000236655854 426671514 /nfs/dbraw/zinc/67/15/14/426671514.db2.gz YBKUEYQJAISGET-UHFFFAOYSA-N 2 0 317.477 2.532 20 0 DFADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+][C@H](C)c2sc(C)nc2C)CC1 ZINC000178693568 426676138 /nfs/dbraw/zinc/67/61/38/426676138.db2.gz FCVOWODNLXZZPP-UONOGXRCSA-N 2 0 324.538 2.684 20 0 DFADRP CC1CC[NH+](CCCCNC(=O)C[C@@H]([NH3+])c2ccccc2)CC1 ZINC000236696487 426677338 /nfs/dbraw/zinc/67/73/38/426677338.db2.gz AIJRSAYGJGUWPO-GOSISDBHSA-N 2 0 317.477 2.705 20 0 DFADRP CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]([NH3+])c1ccc(C(C)C)cc1 ZINC000236766199 426685642 /nfs/dbraw/zinc/68/56/42/426685642.db2.gz MRDFOSOAYWUGIT-MSOLQXFVSA-N 2 0 317.477 2.800 20 0 DFADRP C[C@H]([NH2+]CCC[NH+]1CCCC1)c1ccc(OCC[NH+](C)C)cc1 ZINC000178411767 426623878 /nfs/dbraw/zinc/62/38/78/426623878.db2.gz SOPBSQNEUPLXQQ-KRWDZBQOSA-N 3 0 319.493 2.764 20 0 DFADRP C[C@H]([NH2+]CCC[NH+]1CCCC1)c1cccc(N2CCOC2=O)c1 ZINC000178411739 426624239 /nfs/dbraw/zinc/62/42/39/426624239.db2.gz UZJADJGBPCUVNA-HNNXBMFYSA-N 2 0 317.433 2.780 20 0 DFADRP CC[C@H]([NH2+]CCC[NH+]1CCCC1)c1ccc2c(c1)OCCO2 ZINC000178412602 426624652 /nfs/dbraw/zinc/62/46/52/426624652.db2.gz DWUWRXUGXIDGCG-INIZCTEOSA-N 2 0 304.434 2.984 20 0 DFADRP Fc1ccc(CCN2CCC([NH2+]C[C@H]3CCCOC3)CC2)cc1 ZINC000178426963 426626184 /nfs/dbraw/zinc/62/61/84/426626184.db2.gz XOBUGFHVNZGFRU-QGZVFWFLSA-N 2 0 320.452 2.849 20 0 DFADRP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)CCSc2ccccc2)CC1 ZINC000265374642 426626722 /nfs/dbraw/zinc/62/67/22/426626722.db2.gz BGLNERNXMDKGIN-MRXNPFEDSA-N 2 0 322.518 2.803 20 0 DFADRP CCCC[N@H+](CC)Cc1cccc(CNC(=O)[C@@H]2CCC[NH2+]2)c1 ZINC000178850089 426707818 /nfs/dbraw/zinc/70/78/18/426707818.db2.gz RBJCWMDWWMORPK-SFHVURJKSA-N 2 0 317.477 2.677 20 0 DFADRP COC[C@@H]([NH2+]CCCC[NH+]1CCC(C)CC1)C1CCOCC1 ZINC000187778786 426692807 /nfs/dbraw/zinc/69/28/07/426692807.db2.gz YZIOGTJGTLPJRI-GOSISDBHSA-N 2 0 312.498 2.530 20 0 DFADRP [NH3+]C[C@@H](C(=O)NCCCCC[NH+]1CCCCC1)c1ccccc1 ZINC000178791971 426696554 /nfs/dbraw/zinc/69/65/54/426696554.db2.gz GUCVOQCCURVMKV-GOSISDBHSA-N 2 0 317.477 2.501 20 0 DFADRP [NH3+]CCCCCCC(=O)N[C@H](C[NH+]1CCCC1)c1ccccc1 ZINC000237997017 426702512 /nfs/dbraw/zinc/70/25/12/426702512.db2.gz JUPARBWHIXFFJK-GOSISDBHSA-N 2 0 317.477 2.849 20 0 DFADRP C[C@H](C[N@H+](C)Cc1ccccc1)N[C@@H]1CC[NH+]2CCC[C@H]2C1 ZINC000290444169 426766816 /nfs/dbraw/zinc/76/68/16/426766816.db2.gz VRAKIBNEROBLGI-QRQLOZEOSA-N 2 0 301.478 2.723 20 0 DFADRP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccc(NC(C)=O)cc2)[C@@H](C)C1 ZINC000245796713 426771979 /nfs/dbraw/zinc/77/19/79/426771979.db2.gz XBWVTBGBQMJKTP-KSSFIOAISA-N 2 0 303.450 2.807 20 0 DFADRP c1ccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@H]([NH2+]C[C@H]2CCCO2)C3)cc1 ZINC000245784355 426772305 /nfs/dbraw/zinc/77/23/05/426772305.db2.gz ZIVJNZVFJWCHRS-AKHDSKFASA-N 2 0 300.446 2.951 20 0 DFADRP COc1ccc(C[N@@H+]2CC[C@@H](C3CC[NH+](C)CC3)C2)cc1O ZINC000290478217 426773988 /nfs/dbraw/zinc/77/39/88/426773988.db2.gz NXXQCVCYLWGRSX-MRXNPFEDSA-N 2 0 304.434 2.565 20 0 DFADRP CC[NH+](CC)CCCCNC(=O)[C@@H](C)[N@H+](C)Cc1ccccc1 ZINC000266823360 426784583 /nfs/dbraw/zinc/78/45/83/426784583.db2.gz IZDKLLQLILMFMN-QGZVFWFLSA-N 2 0 319.493 2.745 20 0 DFADRP [NH3+]CC1(CC(=O)Nc2c[nH+]ccc2-n2ccnc2)CCCCC1 ZINC000274232614 426727491 /nfs/dbraw/zinc/72/74/91/426727491.db2.gz RDBPWXLFMGVPEW-UHFFFAOYSA-N 2 0 313.405 2.505 20 0 DFADRP COc1ccc(C[N@@H+]2CCC[C@@H]3C[NH+](C)CC[C@@H]32)cc1OC ZINC000290290477 426734072 /nfs/dbraw/zinc/73/40/72/426734072.db2.gz AGRLHUGJRUPLNB-CVEARBPZSA-N 2 0 304.434 2.620 20 0 DFADRP Cc1ccc2nc(C[N@H+]3CC[C@@H](C4CC[NH+](C)CC4)C3)cn2c1 ZINC000290301455 426736259 /nfs/dbraw/zinc/73/62/59/426736259.db2.gz BIXQVYSGDCHQMV-QGZVFWFLSA-N 2 0 312.461 2.806 20 0 DFADRP COc1ccc2c(c1)C[C@H]([NH2+]C[C@H](C)Cn1ccnc1C)CC2 ZINC000179023267 426738100 /nfs/dbraw/zinc/73/81/00/426738100.db2.gz GTKNECLZDDXUDD-KBXCAEBGSA-N 2 0 313.445 2.983 20 0 DFADRP C[C@@H]1C[N@@H+](CC2CCN(Cc3cncc(F)c3)CC2)C[C@H](C)O1 ZINC000274329282 426745254 /nfs/dbraw/zinc/74/52/54/426745254.db2.gz FKBJNTLKAAZZIQ-GASCZTMLSA-N 2 0 321.440 2.542 20 0 DFADRP Cn1cncc1C[NH2+][C@@H]1c2ccccc2CC[C@@H]1n1ccnc1 ZINC000290419945 426759875 /nfs/dbraw/zinc/75/98/75/426759875.db2.gz KQCFEOARTKRSOL-ZWKOTPCHSA-N 2 0 307.401 2.635 20 0 DFADRP CC[C@@H](CCO)[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000245708981 426765556 /nfs/dbraw/zinc/76/55/56/426765556.db2.gz MZDPGYLUUBRRIW-OKYOBFRVSA-N 2 0 302.462 2.933 20 0 DFADRP COC(=O)c1cc(C[N@@H+]2CC[C@@H](C3CC[NH+](C)CC3)C2)oc1C ZINC000290590757 426799528 /nfs/dbraw/zinc/79/95/28/426799528.db2.gz VFDJXVKTRNWOFM-OAHLLOKOSA-N 2 0 320.433 2.538 20 0 DFADRP CC(=O)Nc1ccc(C[N@H+]2CC[C@@H](C3CC[NH+](C)CC3)C2)cc1 ZINC000290610941 426805456 /nfs/dbraw/zinc/80/54/56/426805456.db2.gz WMYIKOFIVMYCDD-GOSISDBHSA-N 2 0 315.461 2.809 20 0 DFADRP C[C@@H]1CCC[N@H+](CCCCNC(=O)CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000246209570 426811616 /nfs/dbraw/zinc/81/16/16/426811616.db2.gz FRQJXOIYSGICGX-CSNJMZFVSA-N 2 0 321.509 2.535 20 0 DFADRP COCc1ccc(C[N@@H+]2CC[C@@H](C3CC[NH+](C)CC3)C2)cc1 ZINC000290664220 426814012 /nfs/dbraw/zinc/81/40/12/426814012.db2.gz ZXCWZDVYNNGNDH-LJQANCHMSA-N 2 0 302.462 2.997 20 0 DFADRP C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)[C@@H]2C[C@H]3CCCC[C@@H]3[NH2+]2)C1 ZINC000246281732 426816028 /nfs/dbraw/zinc/81/60/28/426816028.db2.gz MPJJFOHGHCTSPS-NCOADZHNSA-N 2 0 321.509 2.534 20 0 DFADRP O[C@@H](CN1CCC[C@@H](C[NH+]2CCCCCC2)C1)CC(F)(F)F ZINC000189098374 426816936 /nfs/dbraw/zinc/81/69/36/426816936.db2.gz JGUFQKCMSSEHPF-LSDHHAIUSA-N 2 0 322.415 2.888 20 0 DFADRP C[C@@H]1Cc2ccccc2[C@H]1[NH2+]CCN1CC[N@H+](C)C(C)(C)C1 ZINC000282124910 426833840 /nfs/dbraw/zinc/83/38/40/426833840.db2.gz AZKJWPGZWOBZRL-QAPCUYQASA-N 2 0 301.478 2.536 20 0 DFADRP C[C@H]1CCCC[N@@H+]1CCC1CC[NH+](Cc2cncnc2)CC1 ZINC000180182320 426840520 /nfs/dbraw/zinc/84/05/20/426840520.db2.gz FECVWPHHDKYCCT-INIZCTEOSA-N 2 0 302.466 2.953 20 0 DFADRP C[C@@H](C[NH2+]CCN1CC[N@H+](C)C(C)(C)C1)c1ccc(F)cc1 ZINC000282232148 426858282 /nfs/dbraw/zinc/85/82/82/426858282.db2.gz FPLHKEPTGOZOIG-HNNXBMFYSA-N 2 0 307.457 2.545 20 0 DFADRP COC1(C[NH2+][C@@H](C)c2cccc(OCC[NH+](C)C)c2)CCC1 ZINC000180201750 426844395 /nfs/dbraw/zinc/84/43/95/426844395.db2.gz POHGULMWZYNVDF-HNNXBMFYSA-N 2 0 306.450 2.847 20 0 DFADRP C[N@@H+]1CCN(CC[NH2+][C@H]2CCc3cc(Cl)ccc32)CC1(C)C ZINC000282203594 426851516 /nfs/dbraw/zinc/85/15/16/426851516.db2.gz GYFPKRUVTUXGKA-KRWDZBQOSA-N 2 0 321.896 2.943 20 0 DFADRP C[C@H]([NH2+]CCCC[N@@H+]1CCC[C@@H]1CO)c1ccc(Cl)cn1 ZINC000274861341 426853379 /nfs/dbraw/zinc/85/33/79/426853379.db2.gz CYMAKXALPJSOIU-DZGCQCFKSA-N 2 0 311.857 2.623 20 0 DFADRP C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2ccc(-n3cccn3)cc2)C1 ZINC000290553568 426792832 /nfs/dbraw/zinc/79/28/32/426792832.db2.gz RXIJZXDKTIBQQN-MJGOQNOKSA-N 2 0 310.445 2.788 20 0 DFADRP C[N@H+](CCCn1ccnc1)Cc1ccnn1-c1ccc(F)cc1 ZINC000290568390 426794645 /nfs/dbraw/zinc/79/46/45/426794645.db2.gz SVRRKXRZQZVYQG-UHFFFAOYSA-N 2 0 313.380 2.730 20 0 DFADRP C[N@@H+]1CCN(CC[NH2+][C@@H]2CC[C@H](c3ccccc3)C2)CC1(C)C ZINC000282443864 426914786 /nfs/dbraw/zinc/91/47/86/426914786.db2.gz SBNKORSFLRBVTM-RBUKOAKNSA-N 2 0 315.505 2.938 20 0 DFADRP [NH3+]C[C@@H]1CCC[C@@H]1NC[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000309639301 426916414 /nfs/dbraw/zinc/91/64/14/426916414.db2.gz BBTSYJRKCFKUAA-QYZOEREBSA-N 2 0 301.478 2.616 20 0 DFADRP C[C@H](NC[C@H]1CCCC[NH2+]1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000309876669 426917508 /nfs/dbraw/zinc/91/75/08/426917508.db2.gz UILHKKVZRMJCFC-QXAKKESOSA-N 3 0 301.478 2.629 20 0 DFADRP CC[N@H+](CCN[C@@H](C)[C@H]1CC[NH+](Cc2ccccc2)C1)C1CC1 ZINC000274954586 426860730 /nfs/dbraw/zinc/86/07/30/426860730.db2.gz VPTTVRDVSFFGIB-HKUYNNGSSA-N 2 0 315.505 2.971 20 0 DFADRP Cc1ccc2c(c1)[C@@H]([NH2+]CCCN1CCC[N@H+](C)CC1)[C@@H](C)C2 ZINC000180468046 426861938 /nfs/dbraw/zinc/86/19/38/426861938.db2.gz DXVBDXTYJKCFDY-PXNSSMCTSA-N 2 0 315.505 2.846 20 0 DFADRP CCn1nc(C)c(CNCc2cccc(C[N@H+](C)C(C)C)c2)n1 ZINC000295210194 426863858 /nfs/dbraw/zinc/86/38/58/426863858.db2.gz AIJDCDCAOSASIV-UHFFFAOYSA-N 2 0 315.465 2.736 20 0 DFADRP C[C@@H](C[NH2+][C@H]1C[C@@H](C)[N@H+](C)C[C@H]1C)N1CCc2sccc2C1 ZINC000246905460 426876260 /nfs/dbraw/zinc/87/62/60/426876260.db2.gz FPNMRPBZGPCWFT-AIANPOQGSA-N 2 0 321.534 2.813 20 0 DFADRP Cn1cc(-c2ccc(C[NH2+]CCC[NH+]3CCCC3)s2)cn1 ZINC000282329822 426883669 /nfs/dbraw/zinc/88/36/69/426883669.db2.gz UWMKCYIVZHJVOY-UHFFFAOYSA-N 2 0 304.463 2.724 20 0 DFADRP CSC[C@](C)(O)C[NH2+]C1CC[NH+]([C@@H]2CCC[C@H](C)C2)CC1 ZINC000305127909 426884555 /nfs/dbraw/zinc/88/45/55/426884555.db2.gz LXRXNFNJVYGKGQ-USXIJHARSA-N 2 0 314.539 2.733 20 0 DFADRP C[NH+]1CCN(c2ccc(C[NH2+][C@@H]3CCC[C@H]4C[C@]43C)cn2)CC1 ZINC000282363051 426891543 /nfs/dbraw/zinc/89/15/43/426891543.db2.gz WGKFLMJUDUBVQS-YQVWRLOYSA-N 2 0 314.477 2.502 20 0 DFADRP C[C@H]1Cc2ccccc2N1CC[NH2+][C@@H]1C[C@@H](C)[N@H+](C)C[C@H]1C ZINC000247112572 426902974 /nfs/dbraw/zinc/90/29/74/426902974.db2.gz TYOPSGNJAWNZRL-XLMAVXFVSA-N 2 0 301.478 2.756 20 0 DFADRP C[C@H]([NH2+][C@H]1CCC[C@@H]([NH+](C)C)C1)c1ccc(-n2cncn2)cc1 ZINC000247146903 426908635 /nfs/dbraw/zinc/90/86/35/426908635.db2.gz RFQHRFIGCPXMIM-QILLFSRXSA-N 2 0 313.449 2.791 20 0 DFADRP CC(C)C[C@@H](C[NH+](C)C)NC(=O)c1sccc1C[NH+](C)C ZINC000291560021 426914038 /nfs/dbraw/zinc/91/40/38/426914038.db2.gz RJHAUTIZRTXTSC-AWEZNQCLSA-N 2 0 311.495 2.516 20 0 DFADRP COCC[N@H+](C)CCCC1CC[NH+](CC[C@@H]2CCCO2)CC1 ZINC000189796440 426950901 /nfs/dbraw/zinc/95/09/01/426950901.db2.gz TVYKDEXCPMTBJL-SFHVURJKSA-N 2 0 312.498 2.626 20 0 DFADRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+]Cc1ccc2c(c1)CCCC2 ZINC000291692444 426954674 /nfs/dbraw/zinc/95/46/74/426954674.db2.gz JCUDDDTXFMBWDV-QGZVFWFLSA-N 2 0 315.505 2.681 20 0 DFADRP CC(C)C[N@@H+]1CC[C@@H](CNC(=O)c2sccc2C[NH+](C)C)C1 ZINC000268224063 426956765 /nfs/dbraw/zinc/95/67/65/426956765.db2.gz PBWSSTYEPACNQO-AWEZNQCLSA-N 2 0 323.506 2.517 20 0 DFADRP CC(C)[NH+]1CCC(NC(=O)C[N@@H+]2[C@H](C)C[C@@H]3CCCC[C@H]32)CC1 ZINC000247685687 426957639 /nfs/dbraw/zinc/95/76/39/426957639.db2.gz UXKYFKVZZXUZCS-SOLBZPMBSA-N 2 0 321.509 2.628 20 0 DFADRP CC[N@@H+]1CC[C@H]([NH2+][C@H](C)c2ccc(NC(N)=O)cc2)[C@@H](C)C1 ZINC000247960610 426968919 /nfs/dbraw/zinc/96/89/19/426968919.db2.gz GELXSTLMFXDLPQ-ZENOOKHLSA-N 2 0 304.438 2.558 20 0 DFADRP CC[N@@H+]1CC[C@@H]([NH2+]CCCN2CCc3ccccc32)[C@@H](C)C1 ZINC000248046798 426974576 /nfs/dbraw/zinc/97/45/76/426974576.db2.gz VJZJJRLEVKAFEI-FUHWJXTLSA-N 2 0 301.478 2.759 20 0 DFADRP CC[C@@H]1CCCC[C@H]1[NH2+]Cc1ccnc(N2CC[NH+](C)CC2)c1 ZINC000181741064 426976317 /nfs/dbraw/zinc/97/63/17/426976317.db2.gz CJZXRZXZWUBGBG-QZTJIDSGSA-N 2 0 316.493 2.892 20 0 DFADRP CN(Cc1nccs1)[C@H]1CC12CCN(Cc1ccon1)CC2 ZINC000283310848 426993120 /nfs/dbraw/zinc/99/31/20/426993120.db2.gz XZQZOPDWUOACFB-AWEZNQCLSA-N 2 0 318.446 2.618 20 0 DFADRP CC(C)N1C[C@H](C)[C@H]([NH2+][C@H]2CN(Cc3ccccc3)C[C@@H]2C)C1 ZINC000181284613 426931867 /nfs/dbraw/zinc/93/18/67/426931867.db2.gz VMNHJJOMSFQNDZ-QGZVKYPTSA-N 2 0 315.505 2.825 20 0 DFADRP CCC[C@@H](C(=O)NC[C@H](c1ccc(CC)cc1)[NH+](C)C)[NH+](C)C ZINC000337953392 427057398 /nfs/dbraw/zinc/05/73/98/427057398.db2.gz YTFGUOFMDAHUMP-ZWKOTPCHSA-N 2 0 319.493 2.698 20 0 DFADRP C[C@@H]1CCCC[C@H]1C[NH+]1CCN(C[C@H]2CCCC[N@@H+]2C)CC1 ZINC000248508751 427007330 /nfs/dbraw/zinc/00/73/30/427007330.db2.gz YIDWBFWTBWPIEA-CEXWTWQISA-N 2 0 307.526 2.915 20 0 DFADRP CCC(C)(C)[NH2+][C@@H](C)C(=O)NCc1ccc(CC[NH+](C)C)cc1 ZINC000276216371 427008061 /nfs/dbraw/zinc/00/80/61/427008061.db2.gz IKHXAGLHUIPVTF-HNNXBMFYSA-N 2 0 319.493 2.574 20 0 DFADRP CSc1ccc(C[NH2+]CC2(O)CC[NH+](C(C)C)CC2)cc1 ZINC000268433422 427016469 /nfs/dbraw/zinc/01/64/69/427016469.db2.gz POLAHHWATJPUBS-UHFFFAOYSA-N 2 0 308.491 2.733 20 0 DFADRP CCN(Cc1ccc(C[NH+](C)C)cc1)Cc1ccnc(OC)n1 ZINC000296040310 427053545 /nfs/dbraw/zinc/05/35/45/427053545.db2.gz NYZIOXNTAADMKE-UHFFFAOYSA-N 2 0 314.433 2.569 20 0 DFADRP CC(C)[NH+]1CCC(O)(C[NH2+]Cc2ccc3c(c2)CCCC3)CC1 ZINC000292041951 427065865 /nfs/dbraw/zinc/06/58/65/427065865.db2.gz ZLHITMAGQTZMAC-UHFFFAOYSA-N 2 0 316.489 2.890 20 0 DFADRP C[C@@H]1CCC[N@H+](Cc2ccc(NC(=O)C3([NH3+])CCC3)cc2)C1 ZINC000296081998 427069534 /nfs/dbraw/zinc/06/95/34/427069534.db2.gz QOIUORJHPUDQMX-CQSZACIVSA-N 2 0 301.434 2.738 20 0 DFADRP O[C@H](CCc1ccccc1)C[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000182403741 427072858 /nfs/dbraw/zinc/07/28/58/427072858.db2.gz HUNBBFRCSNMKGC-VQTJNVASSA-N 2 0 316.489 2.930 20 0 DFADRP CN(C)CC[NH+]1CCC(C[NH2+][C@H]2CCC[C@H]2CCCF)CC1 ZINC000337990644 427079038 /nfs/dbraw/zinc/07/90/38/427079038.db2.gz DMMFGHSDWMXTDX-ROUUACIJSA-N 2 0 313.505 2.768 20 0 DFADRP CC1=CC[C@H]([NH2+]CCCN2CCN(c3cc[nH+]cc3)CC2)CC1 ZINC000283863710 427090508 /nfs/dbraw/zinc/09/05/08/427090508.db2.gz BQQDQQGPOSHJHE-SFHVURJKSA-N 2 0 314.477 2.682 20 0 DFADRP O[C@@H]1CC[N@H+](Cc2ccccc2C[NH2+][C@H]2CC[C@@H]2C2CCC2)C1 ZINC000338009041 427090848 /nfs/dbraw/zinc/09/08/48/427090848.db2.gz FQGZXNMINWQAEW-AQNXPRMDSA-N 2 0 314.473 2.922 20 0 DFADRP CC(C)[NH+]1CCN(CCC[N@@H+]2C[C@@H](C)[C@H]3CCCC[C@H]32)CC1 ZINC000249297989 427103898 /nfs/dbraw/zinc/10/38/98/427103898.db2.gz RMSOVXWODOKRKQ-GUDVDZBRSA-N 2 0 307.526 2.913 20 0 DFADRP C[C@H]1CSCC[N@H+](CCC[NH+]2CCSC[C@@H](C)C2)C1 ZINC000190454116 427110981 /nfs/dbraw/zinc/11/09/81/427110981.db2.gz SMEHGVYHOVCUQH-GASCZTMLSA-N 2 0 302.553 2.746 20 0 DFADRP CC[C@@H]1[C@@H](C)CC[N@@H+]1CC(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000249396735 427111859 /nfs/dbraw/zinc/11/18/59/427111859.db2.gz BCFAUGFMCGJSPX-CGTJXYLNSA-N 2 0 317.477 2.526 20 0 DFADRP CC(C)NC(=O)C[NH2+]C1CCC([N@H+](C)Cc2ccccc2)CC1 ZINC000283995758 427114872 /nfs/dbraw/zinc/11/48/72/427114872.db2.gz HOWOSLDTXNICQT-UHFFFAOYSA-N 2 0 317.477 2.544 20 0 DFADRP Cc1ncsc1C[N@H+](C)C[C@H]1CCN(Cc2ccccn2)C1 ZINC000190464978 427115967 /nfs/dbraw/zinc/11/59/67/427115967.db2.gz HEWPEMAHFNBBRU-OAHLLOKOSA-N 2 0 316.474 2.800 20 0 DFADRP CC[NH+](CC)CCOc1ccccc1C[NH2+][C@H](C)[C@H](C)OC ZINC000268789658 427116574 /nfs/dbraw/zinc/11/65/74/427116574.db2.gz UIALZYJAXCYZGP-CVEARBPZSA-N 2 0 308.466 2.920 20 0 DFADRP Cc1ncsc1CN(C)C[C@@H]1CC[N@H+](Cc2ccncc2)C1 ZINC000190461523 427116798 /nfs/dbraw/zinc/11/67/98/427116798.db2.gz FEWAUWHIQJGFRC-INIZCTEOSA-N 2 0 316.474 2.800 20 0 DFADRP C[C@H]1C[C@H](NCc2ccc(N3CCCCC3)nc2)CC[N@@H+]1C ZINC000268797047 427118138 /nfs/dbraw/zinc/11/81/38/427118138.db2.gz WXSPCBKHZVRBJQ-DOTOQJQBSA-N 2 0 302.466 2.644 20 0 DFADRP C[C@@H](C(=O)NC[C@]1([NH+](C)C)CCC[C@@H](C)C1)[NH+]1[C@H](C)CC[C@H]1C ZINC000338053578 427118202 /nfs/dbraw/zinc/11/82/02/427118202.db2.gz VFLBQCXLZALHER-RXYDEIHYSA-N 2 0 323.525 2.874 20 0 DFADRP Cc1ccccc1C[C@@H]([NH2+]C[C@H](C)N1CC[NH+](C)CC1)C1CC1 ZINC000284081832 427130173 /nfs/dbraw/zinc/13/01/73/427130173.db2.gz BDBZLQQZKGILGN-FXAWDEMLSA-N 2 0 315.505 2.542 20 0 DFADRP CC[C@@H](C)[C@@H](C)[NH2+]CCCN1CCN(c2cc[nH+]cc2)CC1 ZINC000268830875 427131256 /nfs/dbraw/zinc/13/12/56/427131256.db2.gz SFGVTMMHBBKXNL-IAGOWNOFSA-N 2 0 304.482 2.618 20 0 DFADRP C[N@@H+]1CC[C@]2(CC[NH+](CCCOCCc3ccccc3)C2)C1 ZINC000292206810 427131340 /nfs/dbraw/zinc/13/13/40/427131340.db2.gz SULDMTDWDTVDSY-IBGZPJMESA-N 2 0 302.462 2.663 20 0 DFADRP C[N@@H+]1CC[C@@]2(CC[NH+](CCCOCCc3ccccc3)C2)C1 ZINC000292206818 427132133 /nfs/dbraw/zinc/13/21/33/427132133.db2.gz SULDMTDWDTVDSY-LJQANCHMSA-N 2 0 302.462 2.663 20 0 DFADRP C[C@@H]([NH2+][C@@H](C)CC(C)(C)O)c1ccc(OCC[NH+](C)C)cc1 ZINC000296295567 427140101 /nfs/dbraw/zinc/14/01/01/427140101.db2.gz FPZZMDILQSFGQD-LSDHHAIUSA-N 2 0 308.466 2.827 20 0 DFADRP C[C@H](O)C[C@H](C[NH2+][C@@H]1C[C@@H](C)[N@H+](C)C[C@H]1C)c1ccccc1 ZINC000269043759 427150005 /nfs/dbraw/zinc/15/00/05/427150005.db2.gz XWSMGYWBSCPVSD-WCWVYFQPSA-N 2 0 304.478 2.859 20 0 DFADRP CCC[NH2+][C@@H](C)C(=O)NC[C@@H](c1ccsc1)[NH+](CC)CC ZINC000296349907 427153616 /nfs/dbraw/zinc/15/36/16/427153616.db2.gz IXUGWIYCNCXDPX-ZFWWWQNUSA-N 2 0 311.495 2.635 20 0 DFADRP C[C@@H](C[NH2+][C@@H]1CCCc2cc(F)ccc21)CN1CC[NH+](C)CC1 ZINC000182823049 427153983 /nfs/dbraw/zinc/15/39/83/427153983.db2.gz QLSRIZZIZBHOTF-HNAYVOBHSA-N 2 0 319.468 2.676 20 0 DFADRP CCOc1ccc([C@@H](C)[NH2+]C[C@@H](C)CN2CC[NH+](C)CC2)cc1 ZINC000121069236 271016074 /nfs/dbraw/zinc/01/60/74/271016074.db2.gz BFKZUBCVEWKSSD-IAGOWNOFSA-N 2 0 319.493 2.619 20 0 DFADRP CSc1ccccc1[C@@H](C)[NH2+]C[C@@H](C)N1CC[NH+](C)CC1 ZINC000194884626 271229136 /nfs/dbraw/zinc/22/91/36/271229136.db2.gz JINVVDCPFADHLE-HUUCEWRRSA-N 2 0 307.507 2.695 20 0 DFADRP CC[NH+]1CCN([C@H](C)C[NH2+]Cc2ccc(C)c(Cl)c2)CC1 ZINC000195437220 271234160 /nfs/dbraw/zinc/23/41/60/271234160.db2.gz TXVADPDJCPKXGE-OAHLLOKOSA-N 2 0 309.885 2.764 20 0 DFADRP C[C@@H](CC[NH+](C)C)[NH2+][C@@H]1CCCN(C(=O)OC(C)(C)C)CC1 ZINC000227259310 271235283 /nfs/dbraw/zinc/23/52/83/271235283.db2.gz PXCWVVTXADGYSE-LSDHHAIUSA-N 2 0 313.486 2.706 20 0 DFADRP CC(C)(C[NH3+])C(=O)NCc1ccccc1C[NH+]1CCCCCC1 ZINC000236614839 271240104 /nfs/dbraw/zinc/24/01/04/271240104.db2.gz OXKQPJGBHRGRQT-UHFFFAOYSA-N 2 0 317.477 2.664 20 0 DFADRP C[C@@H]1[C@H]([NH2+][C@H]2CC[C@@H](CO)C2)CCCN1Cc1ccccc1 ZINC000296393419 427167483 /nfs/dbraw/zinc/16/74/83/427167483.db2.gz KEIGCHNZPLQPIJ-OQIJWPOYSA-N 2 0 302.462 2.790 20 0 DFADRP C[C@H]1[C@H]([NH2+][C@H]2CC[C@@H](CO)C2)CCCN1Cc1ccccc1 ZINC000296393423 427167798 /nfs/dbraw/zinc/16/77/98/427167798.db2.gz KEIGCHNZPLQPIJ-WZGPROSRSA-N 2 0 302.462 2.790 20 0 DFADRP COc1ccc(C[N@@H+]2CC[C@H](C3CC[NH+](C)CC3)C2)cc1F ZINC000270538077 271306179 /nfs/dbraw/zinc/30/61/79/271306179.db2.gz WSYXINQSGWDXMM-INIZCTEOSA-N 2 0 306.425 2.998 20 0 DFADRP C[C@H](NC(=O)c1ccc2c[nH+]cn2c1)[C@@H](c1ccccc1)[NH+](C)C ZINC000285112745 271340988 /nfs/dbraw/zinc/34/09/88/271340988.db2.gz XAPLDSXLEDRHJX-KSSFIOAISA-N 2 0 322.412 2.756 20 0 DFADRP [NH3+]C[C@H]1CC[C@H]([NH2+]C2CCC3(CC2)c2ccccc2NC3=O)C1 ZINC000333860910 271396905 /nfs/dbraw/zinc/39/69/05/271396905.db2.gz SASRVUOJGCGTHT-RQMAVPSVSA-N 2 0 313.445 2.536 20 0 DFADRP C[NH+](C)[C@@H]1CCC[N@H+](CCC(=O)Nc2cccc(F)c2)CC1 ZINC000277353302 427175353 /nfs/dbraw/zinc/17/53/53/427175353.db2.gz WUHRLABLHRVXTO-MRXNPFEDSA-N 2 0 307.413 2.570 20 0 DFADRP CCC(CC)(CC(=O)OC)[NH2+]Cc1cnc2ccc(C)cn12 ZINC000269362469 427179049 /nfs/dbraw/zinc/17/90/49/427179049.db2.gz PPSRRMCZQSDPLG-UHFFFAOYSA-N 2 0 303.406 2.854 20 0 DFADRP OC1(CC[NH2+][C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]23)CCC1 ZINC000284361199 427189385 /nfs/dbraw/zinc/18/93/85/427189385.db2.gz NAMMMLKBCDAENR-CEXWTWQISA-N 2 0 314.473 2.792 20 0 DFADRP OC1(CC[NH2+][C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]23)CCC1 ZINC000284361205 427190766 /nfs/dbraw/zinc/19/07/66/427190766.db2.gz NAMMMLKBCDAENR-GUDVDZBRSA-N 2 0 314.473 2.792 20 0 DFADRP O[C@@H](Cc1ccc(F)cc1)C[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000292767219 427198856 /nfs/dbraw/zinc/19/88/56/427198856.db2.gz JIYOLOLUJZRZOI-MJGOQNOKSA-N 2 0 320.452 2.537 20 0 DFADRP CC(C)CC[NH+](CCC(=O)N1CCN(C)CC1)CCC(C)C ZINC000338262212 427222060 /nfs/dbraw/zinc/22/20/60/427222060.db2.gz GVJJGPXJCURHLG-UHFFFAOYSA-N 2 0 311.514 2.545 20 0 DFADRP CN(C(=O)CC[N@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C)c1ccccc1 ZINC000285457642 427237630 /nfs/dbraw/zinc/23/76/30/427237630.db2.gz JNQQXASPYZUYIX-JWTNVVGKSA-N 2 0 315.461 2.597 20 0 DFADRP C[C@@H]([NH2+]CCN1CCC([NH+](C)C)CC1)c1cccc(F)c1F ZINC000183277877 427240468 /nfs/dbraw/zinc/24/04/68/427240468.db2.gz BGRXRIXHFYBOHC-CYBMUJFWSA-N 2 0 311.420 2.641 20 0 DFADRP C[C@H]1CCCC[N@@H+]1CCCCNC(=O)c1c[nH+]ccc1N(C)C ZINC000183387971 427261450 /nfs/dbraw/zinc/26/14/50/427261450.db2.gz IXRIANROVCZUKJ-HNNXBMFYSA-N 2 0 318.465 2.532 20 0 DFADRP Nc1ncnc(N2CCC[C@H](C[NH+]3CCCCCC3)C2)c1Cl ZINC000277618905 427263369 /nfs/dbraw/zinc/26/33/69/427263369.db2.gz WILWVLQULVYNCN-CYBMUJFWSA-N 2 0 323.872 2.805 20 0 DFADRP OC[C@@H]1CN(Cc2ccccc2)CC[C@H]1[NH2+]C[C@H]1CC=CCC1 ZINC000269804011 427279987 /nfs/dbraw/zinc/27/99/87/427279987.db2.gz KKRZORKODQVVHY-YSIASYRMSA-N 2 0 314.473 2.815 20 0 DFADRP C[C@@H]([NH2+]C[C@H](C)N1CC[NH+](C)CC1)c1csc(Cl)c1 ZINC000191268827 427302947 /nfs/dbraw/zinc/30/29/47/427302947.db2.gz VHACMYKITAGJRK-NWDGAFQWSA-N 2 0 301.887 2.688 20 0 DFADRP CCN(C)c1ccc(CNC[C@@H]2CCC[N@H+](CC(C)C)C2)cn1 ZINC000191452276 427352652 /nfs/dbraw/zinc/35/26/52/427352652.db2.gz FGRAIPVYVYPZNN-SFHVURJKSA-N 2 0 318.509 2.995 20 0 DFADRP CC[C@H](C)[C@H]([NH3+])C(=O)N1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000262147978 427352687 /nfs/dbraw/zinc/35/26/87/427352687.db2.gz QRLOKGSBZVYCIA-JZXOWHBKSA-N 2 0 323.525 2.863 20 0 DFADRP Cc1ccc(C[NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)c(-c2ccnn2C)c1 ZINC000338444054 427325265 /nfs/dbraw/zinc/32/52/65/427325265.db2.gz LSAWSJRSWIEAAU-NVXWUHKLSA-N 2 0 312.461 2.968 20 0 DFADRP C[C@H](CN1CC[NH+](C)CC1)[NH2+]C1c2ccccc2-c2ccccc21 ZINC000183802287 427345808 /nfs/dbraw/zinc/34/58/08/427345808.db2.gz OSDFPDJLLUDCKJ-MRXNPFEDSA-N 2 0 321.468 2.982 20 0 DFADRP CN1CCC[C@H]1C(=O)Nc1cccc2c1CN(c1ccccn1)C2 ZINC000270417757 427350089 /nfs/dbraw/zinc/35/00/89/427350089.db2.gz FQRHHCFWGJHOSZ-KRWDZBQOSA-N 2 0 322.412 2.635 20 0 DFADRP C[N@@H+]1CCC[C@@H]1CCN1CCN(C/C=C\c2ccccc2)CC1 ZINC000255869459 427297350 /nfs/dbraw/zinc/29/73/50/427297350.db2.gz JRRUNDJULNTKCK-FMSOUQGNSA-N 2 0 313.489 2.802 20 0 DFADRP CC[N@H+](Cc1ccc(C(=O)N2CC[NH2+][C@H](C)[C@@H]2C)cc1)C(C)C ZINC000262790936 427371860 /nfs/dbraw/zinc/37/18/60/427371860.db2.gz NELMYZKDARICBG-CVEARBPZSA-N 2 0 317.477 2.739 20 0 DFADRP CC[N@H+](Cc1ccc(C(=O)N2CC[NH2+][C@@H](C)[C@H]2C)cc1)C(C)C ZINC000262790947 427371958 /nfs/dbraw/zinc/37/19/58/427371958.db2.gz NELMYZKDARICBG-JKSUJKDBSA-N 2 0 317.477 2.739 20 0 DFADRP COc1cc(CN(CC[C@H]2CCC[N@@H+]2C)C2CC2)ccc1O ZINC000271033111 427379138 /nfs/dbraw/zinc/37/91/38/427379138.db2.gz QXVCCGWZLVECEA-OAHLLOKOSA-N 2 0 304.434 2.850 20 0 DFADRP CO[C@H](C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C)C1CC1 ZINC000293623104 427384574 /nfs/dbraw/zinc/38/45/74/427384574.db2.gz FXHYGDOGDULFNV-ATZDWAIDSA-N 2 0 302.462 2.912 20 0 DFADRP CC[N@H+](Cc1ccc(C(=O)N[C@H]2CC[NH2+][C@@H](C)C2)cc1)C(C)C ZINC000262973319 427388064 /nfs/dbraw/zinc/38/80/64/427388064.db2.gz XVBMIXOCBTUVJY-YJBOKZPZSA-N 2 0 317.477 2.787 20 0 DFADRP Cc1ccc(C[C@@H]([NH2+][C@H]2CCCN(CCCO)C2)C2CC2)cc1 ZINC000297297867 427390977 /nfs/dbraw/zinc/39/09/77/427390977.db2.gz MCLHZPNEYDSPOB-VQTJNVASSA-N 2 0 316.489 2.753 20 0 DFADRP CC(C)CC[C@H]([NH2+]CCCN1CCC[C@@H]1C(N)=O)c1ccoc1 ZINC000285984961 427392561 /nfs/dbraw/zinc/39/25/61/427392561.db2.gz HWTBLPWMYCAGDZ-DLBZAZTESA-N 2 0 321.465 2.686 20 0 DFADRP OCC1(C[NH2+]C2CCN(c3cc[nH+]cc3)CC2)CC2(CCC2)C1 ZINC000297555384 427413357 /nfs/dbraw/zinc/41/33/57/427413357.db2.gz AQCJQDXBLLRFMG-UHFFFAOYSA-N 2 0 315.461 2.583 20 0 DFADRP Cn1cncc1CC[N@@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000297636950 427415968 /nfs/dbraw/zinc/41/59/68/427415968.db2.gz MJWJAODOKMUIFB-FQEVSTJZSA-N 2 0 324.472 2.561 20 0 DFADRP CO[C@@H](C[NH2+][C@H](C)c1ccc(OCC[NH+](C)C)cc1)C1CC1 ZINC000293563151 427364234 /nfs/dbraw/zinc/36/42/34/427364234.db2.gz ASCLGONBBPQTMT-KDOFPFPSSA-N 2 0 306.450 2.703 20 0 DFADRP Cc1ccc([C@@H]([NH3+])C(=O)NC[C@@H](C2CCCCC2)[NH+](C)C)cc1 ZINC000262681680 427368566 /nfs/dbraw/zinc/36/85/66/427368566.db2.gz WFKWHBRPVOKQOA-ZWKOTPCHSA-N 2 0 317.477 2.622 20 0 DFADRP C[C@H](CC(=O)NCCCC[N@@H+]1CCC[C@@H](C)C1)[C@H]1CCC[NH2+]C1 ZINC000262660474 427368600 /nfs/dbraw/zinc/36/86/00/427368600.db2.gz NNBPLCVQEYLTON-KURKYZTESA-N 2 0 323.525 2.641 20 0 DFADRP c1ccc(NCCC[NH2+]C2CCN(c3cc[nH+]cc3)CC2)nc1 ZINC000297771177 427451034 /nfs/dbraw/zinc/45/10/34/427451034.db2.gz VOWXGFTWPUXTDG-UHFFFAOYSA-N 3 0 311.433 2.537 20 0 DFADRP COc1ccc(CN2CC[C@H](C[NH+](C)C)C2)c(Cl)c1OC ZINC000271213429 427452317 /nfs/dbraw/zinc/45/23/17/427452317.db2.gz ZDKPKADBDWSPHD-GFCCVEGCSA-N 2 0 312.841 2.741 20 0 DFADRP Cc1cnccc1NC(=O)N1CC[N@@H+](C2CCC2)C[C@H](C)C1 ZINC000297878485 427475712 /nfs/dbraw/zinc/47/57/12/427475712.db2.gz VRIPKIRPQHJLDT-ZDUSSCGKSA-N 2 0 302.422 2.728 20 0 DFADRP C[C@@H]([NH3+])[C@H](C)C(=O)NC[C@@H](c1cccs1)[NH+]1CCC(C)CC1 ZINC000192088023 427476405 /nfs/dbraw/zinc/47/64/05/427476405.db2.gz GTKIMNUQJQSVSP-ZNMIVQPWSA-N 2 0 323.506 2.621 20 0 DFADRP C[C@@H]([NH3+])[C@H](C)C(=O)Nc1ccc(-c2cn3c(n2)CCCC3)cc1 ZINC000192100950 427480694 /nfs/dbraw/zinc/48/06/94/427480694.db2.gz DJJCLWQDNDZVBO-QWHCGFSZSA-N 2 0 312.417 2.808 20 0 DFADRP CC[C@H](O)C[NH2+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000293901341 427482869 /nfs/dbraw/zinc/48/28/69/427482869.db2.gz ZPUCCHXTVMXAMY-YDZRNGNQSA-N 2 0 302.462 2.648 20 0 DFADRP C[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+][C@H]2CCC(=O)NC2(C)C)CC1 ZINC000338775851 427483373 /nfs/dbraw/zinc/48/33/73/427483373.db2.gz QWBOSVPEKUAHFU-OIISXLGYSA-N 2 0 321.509 2.676 20 0 DFADRP CCC[N@@H+]1CC[C@H](C[NH2+][C@H](C)c2ccccc2-n2ccnn2)C1 ZINC000286297483 427485192 /nfs/dbraw/zinc/48/51/92/427485192.db2.gz WNHZCXDALLDVPZ-HZPDHXFCSA-N 2 0 313.449 2.650 20 0 DFADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1N[C@H]1CCn2ccnc21 ZINC000297657027 427421843 /nfs/dbraw/zinc/42/18/43/427421843.db2.gz KLCGVVVDCFTJAG-NJAFHUGGSA-N 2 0 310.445 2.828 20 0 DFADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1N[C@H]1CCn2ccnc21 ZINC000297657031 427422082 /nfs/dbraw/zinc/42/20/82/427422082.db2.gz KLCGVVVDCFTJAG-NXHRZFHOSA-N 2 0 310.445 2.828 20 0 DFADRP CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)CC1(C[NH3+])CCCCC1 ZINC000184241210 427422548 /nfs/dbraw/zinc/42/25/48/427422548.db2.gz XYULZHGYFKRVBD-INIZCTEOSA-N 2 0 309.498 2.619 20 0 DFADRP C[C@](O)(C[NH2+]C1CCN(C2CC2)CC1)c1cccc(Cl)c1 ZINC000297688810 427429599 /nfs/dbraw/zinc/42/95/99/427429599.db2.gz PSOWPYBBQKLLMU-KRWDZBQOSA-N 2 0 308.853 2.764 20 0 DFADRP C[C@@H]1C[C@H](CC[NH2+]C2CCN(c3cc[nH+]cc3)CC2)CCO1 ZINC000297698006 427433700 /nfs/dbraw/zinc/43/37/00/427433700.db2.gz QFOBWRPLHMJGPC-HZPDHXFCSA-N 2 0 303.450 2.845 20 0 DFADRP CCCN(CC[NH+](CC)CC)C(=O)C1CC[NH+](C(C)C)CC1 ZINC000184316547 427437110 /nfs/dbraw/zinc/43/71/10/427437110.db2.gz HHZAEZOKXATXCM-UHFFFAOYSA-N 2 0 311.514 2.687 20 0 DFADRP CC[NH+]1CCN([C@H](C)C[NH2+][C@H](C)[C@H]2C[C@@H]2c2ccccc2)CC1 ZINC000338688312 427439289 /nfs/dbraw/zinc/43/92/89/427439289.db2.gz OTYONUJIUBIHBV-HNBVOPMISA-N 2 0 315.505 2.794 20 0 DFADRP C[C@H]([NH2+]C1CCN(CC[NH+](C)C)CC1)[C@@H]1C[C@@H]1c1ccccc1 ZINC000338691027 427440008 /nfs/dbraw/zinc/44/00/08/427440008.db2.gz WLZCZUNPRUKULY-FFZOFVMBSA-N 2 0 315.505 2.794 20 0 DFADRP C[C@H](CN[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)C[NH+](C)C ZINC000293805717 427442301 /nfs/dbraw/zinc/44/23/01/427442301.db2.gz VHXJBYPSSQKAJB-AFYVEPGGSA-N 3 0 315.505 2.969 20 0 DFADRP Cc1nccn1CC[N@@H+]1C[C@H](c2ccccc2)[C@@H]2COCC[C@@H]21 ZINC000286178768 427445547 /nfs/dbraw/zinc/44/55/47/427445547.db2.gz XBAFLDCNOIAEPD-QYZOEREBSA-N 2 0 311.429 2.696 20 0 DFADRP C[C@@H]1C[C@@H]([NH2+]C[C@](C)(O)C(F)(F)F)CN1Cc1ccccc1 ZINC000271200227 427445567 /nfs/dbraw/zinc/44/55/67/427445567.db2.gz IPPPSPQMQFTSQO-YUELXQCFSA-N 2 0 316.367 2.552 20 0 DFADRP CC[NH+]1CCN(C[C@H](C)C[NH2+]C(C2CCC2)C2CCC2)CC1 ZINC000338791792 427492524 /nfs/dbraw/zinc/49/25/24/427492524.db2.gz KXENKSYHZCXAAG-MRXNPFEDSA-N 2 0 307.526 2.818 20 0 DFADRP CCOC1CC(CC[NH2+]C2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000298042754 427508193 /nfs/dbraw/zinc/50/81/93/427508193.db2.gz HLYICXAAJWDCLC-UHFFFAOYSA-N 2 0 303.450 2.845 20 0 DFADRP C[C@@H]1C[NH+](Cc2ccc(CNCc3cocn3)cc2)C[C@@H](C)O1 ZINC000192283151 427515161 /nfs/dbraw/zinc/51/51/61/427515161.db2.gz VQDAFOBXKWSSAD-HUUCEWRRSA-N 2 0 315.417 2.574 20 0 DFADRP Cc1cccc(CCC[NH2+]C2CCN(c3cc[nH+]cc3)CC2)n1 ZINC000298185124 427527501 /nfs/dbraw/zinc/52/75/01/427527501.db2.gz WEPCENMMCJDFSV-UHFFFAOYSA-N 2 0 310.445 2.976 20 0 DFADRP CC[N@H+](Cc1ccc(C(=O)NC[C@@H](C)C[NH+](C)C)cc1)C(C)C ZINC000294041060 427532981 /nfs/dbraw/zinc/53/29/81/427532981.db2.gz FOYNSVSKRADOIN-MRXNPFEDSA-N 2 0 319.493 2.844 20 0 DFADRP COc1cccc([C@H](C)[NH2+]C2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)c1 ZINC000271449329 427540951 /nfs/dbraw/zinc/54/09/51/427540951.db2.gz DHXCRMUHDCUYBE-KYNGSXCRSA-N 2 0 318.461 2.724 20 0 DFADRP COc1cccc([C@H](C)[NH2+]C2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)c1 ZINC000271449327 427541593 /nfs/dbraw/zinc/54/15/93/427541593.db2.gz DHXCRMUHDCUYBE-JVPBZIDWSA-N 2 0 318.461 2.724 20 0 DFADRP COC[C@@H]([NH2+]C1CCN(c2cc[nH+]cc2)CC1)c1ccc(C)o1 ZINC000294083654 427543539 /nfs/dbraw/zinc/54/35/39/427543539.db2.gz AMKDSMMSLITEAS-QGZVFWFLSA-N 2 0 315.417 2.929 20 0 DFADRP CC[NH+](CC)Cc1ccc(C(=O)NC[C@@H]2CC[N@H+](CC)C2)cc1 ZINC000263710593 427546480 /nfs/dbraw/zinc/54/64/80/427546480.db2.gz QMYSBMVWBVILNZ-KRWDZBQOSA-N 2 0 317.477 2.600 20 0 DFADRP COCc1ccc(C[NH2+]CC2CCN(c3cc[nH+]cc3)CC2)o1 ZINC000271466057 427551225 /nfs/dbraw/zinc/55/12/25/427551225.db2.gz GRFPKHFRXFCQSA-UHFFFAOYSA-N 2 0 315.417 2.827 20 0 DFADRP COc1ccc(COCCC[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc1 ZINC000192810160 427616049 /nfs/dbraw/zinc/61/60/49/427616049.db2.gz ARCGUTALPXJLFR-AYHJJNSGSA-N 2 0 318.461 2.817 20 0 DFADRP C[C@@H]([NH2+]Cc1ccc(OCCC[NH+](C)C)cc1)c1ccnn1C ZINC000192818011 427618450 /nfs/dbraw/zinc/61/84/50/427618450.db2.gz ISYIVKNIGWCQHO-OAHLLOKOSA-N 2 0 316.449 2.601 20 0 DFADRP CC[N@H+](C)Cc1cccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[NH+]3C)c1 ZINC000192827883 427619419 /nfs/dbraw/zinc/61/94/19/427619419.db2.gz NSNXPZNZSUYQOD-YQQQUEKLSA-N 3 0 301.478 2.853 20 0 DFADRP CC[C@H]1CCCCN1CC[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000298299908 427564442 /nfs/dbraw/zinc/56/44/42/427564442.db2.gz HNOARQPMWYHVTK-SFHVURJKSA-N 2 0 316.493 2.905 20 0 DFADRP CCC[N@@H+]1CC[C@@H](C[NH2+][C@@H](C)c2cccc(-n3ccnn3)c2)C1 ZINC000287308290 427573955 /nfs/dbraw/zinc/57/39/55/427573955.db2.gz CVEKPHOUQDBTRH-HOTGVXAUSA-N 2 0 313.449 2.650 20 0 DFADRP CCC[C@H]([NH2+]CCCC[NH+]1CCN(CC)CC1)c1cccnc1 ZINC000185014344 427576549 /nfs/dbraw/zinc/57/65/49/427576549.db2.gz WRNLIEDKJCDJGF-IBGZPJMESA-N 2 0 318.509 2.930 20 0 DFADRP C[C@@H](CCc1ccc2c(c1)OCO2)[NH2+]CC1=CC[N@H+](C)CC1 ZINC000271913559 427596000 /nfs/dbraw/zinc/59/60/00/427596000.db2.gz YKNLZTKNIMRYPT-AWEZNQCLSA-N 2 0 302.418 2.588 20 0 DFADRP CC[NH+]1CCC(N[C@H]2CC[N@H+](Cc3ccccc3)[C@H]2C)CC1 ZINC000287393859 427599579 /nfs/dbraw/zinc/59/95/79/427599579.db2.gz QIVKEDSLQSFNET-LPHOPBHVSA-N 2 0 301.478 2.723 20 0 DFADRP CCN1CC[NH+](CCCC[NH2+]Cc2cc(C)c(O)c(C)c2)CC1 ZINC000298405046 427599998 /nfs/dbraw/zinc/59/99/98/427599998.db2.gz LCRDQDLNWTXQDJ-UHFFFAOYSA-N 2 0 319.493 2.516 20 0 DFADRP Cc1c[nH+]ccc1N1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000192754223 427601971 /nfs/dbraw/zinc/60/19/71/427601971.db2.gz POZFLWJHSXDQJD-UHFFFAOYSA-N 2 0 303.450 2.719 20 0 DFADRP C[NH+](C)Cc1cccc(NC(=O)CC2(C[NH3+])CCCCC2)c1 ZINC000185344579 427635590 /nfs/dbraw/zinc/63/55/90/427635590.db2.gz DXDFRKWIDUSZIW-UHFFFAOYSA-N 2 0 303.450 2.986 20 0 DFADRP C[C@H](CCn1cccn1)[NH2+]C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000192923588 427636713 /nfs/dbraw/zinc/63/67/13/427636713.db2.gz DIBPOLFZFMLWJU-MJGOQNOKSA-N 2 0 312.461 2.773 20 0 DFADRP COCc1ccc(C[N@@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@H]32)cc1 ZINC000339042877 427642700 /nfs/dbraw/zinc/64/27/00/427642700.db2.gz CEPPVBZOWPIELR-GUDVDZBRSA-N 2 0 318.461 2.517 20 0 DFADRP c1c(C[NH2+]CCCCCCC[NH+]2CCCC2)nc2ncccn12 ZINC000298548747 427646571 /nfs/dbraw/zinc/64/65/71/427646571.db2.gz ULDSNRYXSGTSIR-UHFFFAOYSA-N 2 0 315.465 2.865 20 0 DFADRP CCc1cc(N2CCC([N@H+](C)CCO)CC2)c2ccccc2[nH+]1 ZINC000272141332 427646729 /nfs/dbraw/zinc/64/67/29/427646729.db2.gz AXLBDRGIOLYPOL-UHFFFAOYSA-N 2 0 313.445 2.690 20 0 DFADRP CCC[NH2+][C@@H](C)C(=O)NC[C@@H](c1ccc(C)cc1)[NH+]1CCCC1 ZINC000294719312 427649788 /nfs/dbraw/zinc/64/97/88/427649788.db2.gz BRVZHXWITNZJPK-WMZOPIPTSA-N 2 0 317.477 2.636 20 0 DFADRP C[NH+](C)CCOc1ccc(C[NH2+]Cc2cc(O)cc(F)c2)cc1 ZINC000185471046 427656162 /nfs/dbraw/zinc/65/61/62/427656162.db2.gz JWHJRHQLRDLECD-UHFFFAOYSA-N 2 0 318.392 2.762 20 0 DFADRP C[C@H]([NH2+]C[C@H]1CCOC[C@@H]1C)c1ccc(OCC[NH+](C)C)cc1 ZINC000287634125 427658103 /nfs/dbraw/zinc/65/81/03/427658103.db2.gz UGPQEFMAAILBCX-XYJFISCASA-N 2 0 320.477 2.950 20 0 DFADRP CC(C)[C@@H]1CCC[C@H]([NH2+]Cc2nnc(C3CC[NH2+]CC3)[nH]2)C1 ZINC000333608757 427658772 /nfs/dbraw/zinc/65/87/72/427658772.db2.gz RQKDFARGWDQMAQ-CABCVRRESA-N 2 0 305.470 2.576 20 0 DFADRP Cc1cc(N2CCC([N@H+](C)CCO)CC2)c2cc(F)ccc2[nH+]1 ZINC000272178024 427662853 /nfs/dbraw/zinc/66/28/53/427662853.db2.gz IOLDBOJNORMQGF-UHFFFAOYSA-N 2 0 317.408 2.575 20 0 DFADRP c1cnn(Cc2ccc(C[NH2+][C@H]3CC[N@@H+]4CCC[C@H]4C3)cc2)c1 ZINC000339072134 427663069 /nfs/dbraw/zinc/66/30/69/427663069.db2.gz TXGROKIMTFVVCJ-OALUTQOASA-N 2 0 310.445 2.648 20 0 DFADRP CC[NH+]1CCN(C[C@H](C)C[NH2+]Cc2cc(Cl)cs2)CC1 ZINC000193085502 427664093 /nfs/dbraw/zinc/66/40/93/427664093.db2.gz GHMCFYQNFFWIII-CYBMUJFWSA-N 2 0 315.914 2.765 20 0 DFADRP C[C@@H]1CC([NH2+]Cc2ccncc2OCC[NH+](C)C)C[C@@H](C)C1 ZINC000342417516 272008190 /nfs/dbraw/zinc/00/81/90/272008190.db2.gz HQTTUCYSQFDZIA-GJZGRUSLSA-N 2 0 305.466 2.936 20 0 DFADRP CCOCC(C)(C)C[NH2+]Cc1cn(-c2cc[nH+]cc2)nc1C ZINC000342435214 272013153 /nfs/dbraw/zinc/01/31/53/272013153.db2.gz WUHPXUBNVINYMM-UHFFFAOYSA-N 2 0 302.422 2.728 20 0 DFADRP CC1(C)CC[C@@H]1[NH2+]CCN1CC[NH+](Cc2ccccc2)CC1 ZINC000342622881 272032291 /nfs/dbraw/zinc/03/22/91/272032291.db2.gz FKVFIEYTFVLWQA-SFHVURJKSA-N 2 0 301.478 2.582 20 0 DFADRP Fc1cccc(CC[NH+]2CCC(C[NH+]3CCOCC3)CC2)c1F ZINC000342765869 272051623 /nfs/dbraw/zinc/05/16/23/272051623.db2.gz RBTFQBDAPYKKLX-UHFFFAOYSA-N 2 0 324.415 2.552 20 0 DFADRP CCC[N@H+](CC)Cc1ccc(C(=O)N2CC[C@H]([C@H](C)[NH3+])C2)cc1 ZINC000272207634 427670980 /nfs/dbraw/zinc/67/09/80/427670980.db2.gz HFRSGVFMJPITIO-YJBOKZPZSA-N 2 0 317.477 2.728 20 0 DFADRP CCSc1cccc(C[NH2+]CCN2CCC([NH+](C)C)CC2)c1 ZINC000185565663 427671530 /nfs/dbraw/zinc/67/15/30/427671530.db2.gz WNCRHTUHXIQVLY-UHFFFAOYSA-N 2 0 321.534 2.914 20 0 DFADRP C[C@@H]1CC(C)(C)CC[C@@H]1[NH2+]Cc1nnc(C2CC[NH2+]CC2)[nH]1 ZINC000333647439 427667557 /nfs/dbraw/zinc/66/75/57/427667557.db2.gz YJCHSELCEHBBRF-OCCSQVGLSA-N 2 0 305.470 2.576 20 0 DFADRP CCc1cc(N(C)C[C@H]2C[C@H](OC)C[N@@H+]2C)c2ccccc2[nH+]1 ZINC000343299281 272115404 /nfs/dbraw/zinc/11/54/04/272115404.db2.gz BDZGILDLYMDDOK-CVEARBPZSA-N 2 0 313.445 2.953 20 0 DFADRP C[N@H+](CCCc1ccc2c(c1)CCO2)C[C@@H]1CCC[NH+](C)C1 ZINC000193239734 427676941 /nfs/dbraw/zinc/67/69/41/427676941.db2.gz AQGYUINXPDATNH-KRWDZBQOSA-N 2 0 302.462 2.828 20 0 DFADRP CO[C@H](C)CC[NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]12 ZINC000295053170 427673570 /nfs/dbraw/zinc/67/35/70/427673570.db2.gz PTLVHFBHZQXCLX-NXWXRZEISA-N 2 0 302.462 2.912 20 0 DFADRP Cc1[nH+]c2ccccc2c(NC[C@H](O)C[NH+]2CCCCC2)c1C ZINC000343472257 272154656 /nfs/dbraw/zinc/15/46/56/272154656.db2.gz GGEYGBCGRKPYOT-INIZCTEOSA-N 2 0 313.445 2.532 20 0 DFADRP CC[NH+](CC)CC1CC[NH+]([C@H](C)C(=O)N2CCC(C)CC2)CC1 ZINC000343574313 272174415 /nfs/dbraw/zinc/17/44/15/272174415.db2.gz CRDCXTCOIQFZFI-QGZVFWFLSA-N 2 0 323.525 2.687 20 0 DFADRP CCCN(CCC)C(=O)C[NH+]1CCC(C[NH+](CC)CC)CC1 ZINC000343578262 272175841 /nfs/dbraw/zinc/17/58/41/272175841.db2.gz KAYXAEVEWBPHNC-UHFFFAOYSA-N 2 0 311.514 2.689 20 0 DFADRP CC[N@H+](CC(=O)NC[C@@H]1CCC[NH+]1CC1CCCCC1)C1CC1 ZINC000343586493 272177239 /nfs/dbraw/zinc/17/72/39/272177239.db2.gz PESRXDGIBRUFLZ-SFHVURJKSA-N 2 0 321.509 2.632 20 0 DFADRP CC[N@H+](CC(=O)NC[C@H]1CCC[NH+]1CC1CCCCC1)C1CC1 ZINC000343586492 272177526 /nfs/dbraw/zinc/17/75/26/272177526.db2.gz PESRXDGIBRUFLZ-GOSISDBHSA-N 2 0 321.509 2.632 20 0 DFADRP Cc1nc2[nH]ccc2c(N(C)CCC[N@H+](C)Cc2ccco2)n1 ZINC000343807183 272223938 /nfs/dbraw/zinc/22/39/38/272223938.db2.gz KSJKMUNTMLGJCO-UHFFFAOYSA-N 2 0 313.405 2.818 20 0 DFADRP C[C@@H]1CC[C@H]([NH2+]Cc2ccncc2OCC[NH+](C)C)[C@@H](C)C1 ZINC000343948328 272242782 /nfs/dbraw/zinc/24/27/82/272242782.db2.gz XYDHIUNJYYNANH-VYDXJSESSA-N 2 0 305.466 2.936 20 0 DFADRP C[NH+](C)CC1CC[NH+](Cc2cc3c(cc2Cl)OCCO3)CC1 ZINC000343986340 272247093 /nfs/dbraw/zinc/24/70/93/272247093.db2.gz WBOLJIMZIYUNFM-UHFFFAOYSA-N 2 0 324.852 2.885 20 0 DFADRP CCC[N@H+](CCN1CC[NH+](CC)CC1)Cc1ccc(C)cc1 ZINC000344143216 272272521 /nfs/dbraw/zinc/27/25/21/272272521.db2.gz MSCLHMHGWLGMCC-UHFFFAOYSA-N 2 0 303.494 2.845 20 0 DFADRP CC[NH+](CC)[C@H](CNC(=O)[C@H]1CC[N@H+](C)[C@H](C)C1)c1ccco1 ZINC000344165474 272277479 /nfs/dbraw/zinc/27/74/79/272277479.db2.gz ZGPVXWWRIOLJCT-OWCLPIDISA-N 2 0 321.465 2.509 20 0 DFADRP C[C@H]1CN(C)C[C@H]1[NH2+]Cc1cccc(C[NH+]2CCC(C)CC2)c1 ZINC000344191443 272283904 /nfs/dbraw/zinc/28/39/04/272283904.db2.gz VFSGYGSHXGACNK-FXAWDEMLSA-N 2 0 315.505 2.958 20 0 DFADRP CO[C@H](c1ccccc1F)[C@H](C)[NH2+][C@@H]1CN(C2CC2)C[C@@H]1C ZINC000344292095 272305932 /nfs/dbraw/zinc/30/59/32/272305932.db2.gz OLSCSZMBFMMENQ-UHIXZJCNSA-N 2 0 306.425 2.974 20 0 DFADRP CC(C)[C@H](CNC(=O)C[N@H+]1[C@H](C)CC[C@@H]1C)[NH+]1CCC(C)CC1 ZINC000344568249 272339703 /nfs/dbraw/zinc/33/97/03/272339703.db2.gz DMQFFFOBHZJCET-KSZLIROESA-N 2 0 323.525 2.732 20 0 DFADRP C[C@H]1CCCC[N@@H+]1CCC(=O)N1CC[NH+](C2CCC2)C[C@@H](C)C1 ZINC000344719601 272360229 /nfs/dbraw/zinc/36/02/29/272360229.db2.gz YMHDFVGOSHJPIE-SJORKVTESA-N 2 0 321.509 2.584 20 0 DFADRP C[C@@H]([NH3+])CCC(=O)N(C)[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000193313875 427682310 /nfs/dbraw/zinc/68/23/10/427682310.db2.gz DEHNEPPIGZXATQ-RYRKJORJSA-N 2 0 317.477 2.625 20 0 DFADRP C[C@@H](C(=O)N1CC[N@@H+](C2CCC2)C[C@H](C)C1)[NH+]1CCCCCC1 ZINC000344740261 272364292 /nfs/dbraw/zinc/36/42/92/272364292.db2.gz LCSPAAIDYCLGOZ-IRXDYDNUSA-N 2 0 321.509 2.584 20 0 DFADRP CC[C@@H](C(=O)NCCC[N@H+](C)C1CCCCC1)[NH+](CC)CC ZINC000344808728 272372584 /nfs/dbraw/zinc/37/25/84/272372584.db2.gz IRLLYPAZOQRNKC-KRWDZBQOSA-N 2 0 311.514 2.878 20 0 DFADRP COc1ccncc1CN1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000287777755 427690077 /nfs/dbraw/zinc/69/00/77/427690077.db2.gz NHEDNYJUERBHKW-WMLDXEAASA-N 2 0 301.434 2.539 20 0 DFADRP CCOc1ccc(C[NH+]2CCC(N3CCO[C@H](C)C3)CC2)cc1 ZINC000193431653 427692511 /nfs/dbraw/zinc/69/25/11/427692511.db2.gz LCIMYRDHBBDJNN-MRXNPFEDSA-N 2 0 318.461 2.770 20 0 DFADRP C[C@H]([NH2+]C[C@H](O)Cc1ccccc1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185743852 427698723 /nfs/dbraw/zinc/69/87/23/427698723.db2.gz RULDFLQLFMDPOL-XKGZKEIXSA-N 2 0 316.489 2.833 20 0 DFADRP Cc1cc(OCCN2C[C@@H]3C[N@@H+](C)C[C@@H]3C2)ccc1C(C)C ZINC000193629231 427702987 /nfs/dbraw/zinc/70/29/87/427702987.db2.gz ITQJECMNXLMGBD-CALCHBBNSA-N 2 0 302.462 2.991 20 0 DFADRP C[C@H]([NH2+]CC[C@H]1CCC[N@@H+]1C)C1CCN(CC(F)(F)F)CC1 ZINC000339162414 427711237 /nfs/dbraw/zinc/71/12/37/427711237.db2.gz BSBIKBXMLIKPKZ-DZGCQCFKSA-N 2 0 321.431 2.723 20 0 DFADRP COC(=O)CCC[C@@H]1CCC[C@H]([NH2+]CCC[NH+]2CCCC2)C1 ZINC000339175336 427717859 /nfs/dbraw/zinc/71/78/59/427717859.db2.gz XCPVFNWSSBZAEV-IRXDYDNUSA-N 2 0 310.482 2.964 20 0 DFADRP CCN(CC)C(=O)[C@@H](C)[NH2+]Cc1cccc(C[NH+](CC)CC)c1 ZINC000298853358 427718972 /nfs/dbraw/zinc/71/89/72/427718972.db2.gz DPFLSFLCUJKZJN-MRXNPFEDSA-N 2 0 319.493 2.875 20 0 DFADRP CC[NH+](CC)CC(=O)NC[C@H](c1ccsc1)[NH+](CC)CC ZINC000299234866 427762566 /nfs/dbraw/zinc/76/25/66/427762566.db2.gz GOVPZUZGSLUIID-OAHLLOKOSA-N 2 0 311.495 2.589 20 0 DFADRP [NH3+][C@@H]1CCC[C@H]2C[N@H+](CCCc3ccc4c(c3)CCO4)C[C@@H]21 ZINC000339407910 427769369 /nfs/dbraw/zinc/76/93/69/427769369.db2.gz QDMXKDWHUKXVTQ-OKZBNKHCSA-N 2 0 300.446 2.613 20 0 DFADRP CC[C@H](C)[N@H+](C)CCNC(=O)[C@H](CC)[NH+](C)Cc1ccccc1 ZINC000339418247 427771246 /nfs/dbraw/zinc/77/12/46/427771246.db2.gz BNTRPGLJHYDFSC-WMZOPIPTSA-N 2 0 319.493 2.744 20 0 DFADRP C[C@@H]1C[N@@H+](CCC2CC[NH+](C[C@@H]3CCC=CO3)CC2)C[C@H](C)O1 ZINC000194048710 427728641 /nfs/dbraw/zinc/72/86/41/427728641.db2.gz FJWMAJDVWRUWCU-SCTDSRPQSA-N 2 0 322.493 2.890 20 0 DFADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)CC(C)(C)C1CC1 ZINC000339655954 427807924 /nfs/dbraw/zinc/80/79/24/427807924.db2.gz XWMFBANZZSHCSL-KRWDZBQOSA-N 2 0 323.525 2.687 20 0 DFADRP CC[NH+]1CCN([C@H](C)CNc2cc[nH+]c3c(C)cccc23)CC1 ZINC000301681662 427815190 /nfs/dbraw/zinc/81/51/90/427815190.db2.gz SFLMIGUWZLGFJY-MRXNPFEDSA-N 2 0 312.461 2.981 20 0 DFADRP C[C@H]([NH2+]C[C@@](C)(O)C(F)(F)F)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000337206775 427815493 /nfs/dbraw/zinc/81/54/93/427815493.db2.gz NEKIEEVUHGPHOK-OUCADQQQSA-N 2 0 308.388 2.542 20 0 DFADRP Cc1c(F)cccc1NC(=O)CC[N@H+](C)CCC[NH+]1CCCC1 ZINC000337279239 427829892 /nfs/dbraw/zinc/82/98/92/427829892.db2.gz TZZGVBFVCCBRDC-UHFFFAOYSA-N 2 0 321.440 2.880 20 0 DFADRP C[C@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)C1(C[NH+](C)C)CCCCC1 ZINC000346128070 272574738 /nfs/dbraw/zinc/57/47/38/272574738.db2.gz ISJSCRWHSDVELT-IRXDYDNUSA-N 2 0 321.509 2.584 20 0 DFADRP CC[C@H](C)[N@H+](C)CCNC(=O)[C@@H](c1ccccc1)[NH+](CC)CC ZINC000355622040 427834187 /nfs/dbraw/zinc/83/41/87/427834187.db2.gz ACZYJJPAONZROD-FUHWJXTLSA-N 2 0 319.493 2.916 20 0 DFADRP CC[NH+](CC)CCOCC[NH2+][C@@H]1CCCOc2ccccc21 ZINC000349661523 427838513 /nfs/dbraw/zinc/83/85/13/427838513.db2.gz GFVWBMLMDMESJD-QGZVFWFLSA-N 2 0 306.450 2.848 20 0 DFADRP COc1cccc(C[C@@H](C)[NH2+]CCCCC[NH+]2CCCC2)n1 ZINC000340476225 427858576 /nfs/dbraw/zinc/85/85/76/427858576.db2.gz GKJLAVNLHFNMNG-MRXNPFEDSA-N 2 0 305.466 2.877 20 0 DFADRP CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)C[C@H]1C ZINC000359408047 427839942 /nfs/dbraw/zinc/83/99/42/427839942.db2.gz JWPSYFHWKNUAHZ-BPKGMFCQSA-N 2 0 308.466 2.571 20 0 DFADRP CC[C@@H]1C[C@@H](C[NH2+]CCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CCO1 ZINC000355675762 427843586 /nfs/dbraw/zinc/84/35/86/427843586.db2.gz WANNRHCLHMVYMG-XWTMOSNGSA-N 2 0 312.498 2.671 20 0 DFADRP CC(C)OC[C@@H](C)[NH2+]Cc1ccccc1C[N@@H+]1CCC[C@@H]1CO ZINC000337321644 427844571 /nfs/dbraw/zinc/84/45/71/427844571.db2.gz ZOYYTHCKJYASJT-VQIMIIECSA-N 2 0 320.477 2.546 20 0 DFADRP C[C@H]([NH2+]Cc1ccc(OCC[NH+](C)C)cc1)[C@@]1(C)CCCO1 ZINC000340459198 427851504 /nfs/dbraw/zinc/85/15/04/427851504.db2.gz CNGCEQASDPKQGD-MAUKXSAKSA-N 2 0 306.450 2.674 20 0 DFADRP C[C@@H](c1ccccn1)[NH+]1CCC(CC[NH+]2CCOCC2)CC1 ZINC000355691647 427852893 /nfs/dbraw/zinc/85/28/93/427852893.db2.gz INIBQGYWSCPOGH-INIZCTEOSA-N 2 0 303.450 2.577 20 0 DFADRP CCc1cc(OC)ccc1C[NH2+]C[C@@H]1CN(CC(C)C)CCO1 ZINC000337343981 427855178 /nfs/dbraw/zinc/85/51/78/427855178.db2.gz SSANCYAKIDUCOW-LJQANCHMSA-N 2 0 320.477 2.704 20 0 DFADRP Cc1c[nH+]ccc1NCC1([NH+]2CCSCC2)CCCCC1 ZINC000359495334 427876239 /nfs/dbraw/zinc/87/62/39/427876239.db2.gz BUOVGZKPVBWSHR-UHFFFAOYSA-N 2 0 305.491 2.976 20 0 DFADRP Cc1ccc(NC(=O)c2ccc3c[nH+]cn3c2)c(C[NH+](C)C)c1 ZINC000339950747 427884193 /nfs/dbraw/zinc/88/41/93/427884193.db2.gz INKUHWIXINCFBR-UHFFFAOYSA-N 2 0 308.385 2.957 20 0 DFADRP CC(C)C[N@@H+]1CCCC[C@H]1CNC(=O)c1ccc2c[nH+]cn2c1 ZINC000339958190 427885340 /nfs/dbraw/zinc/88/53/40/427885340.db2.gz XSUKEOVGCGSANZ-INIZCTEOSA-N 2 0 314.433 2.575 20 0 DFADRP CC[C@H]([NH2+]CCN1CC[NH+](Cc2ccccc2)CC1)C1CC1 ZINC000359518709 427885557 /nfs/dbraw/zinc/88/55/57/427885557.db2.gz RGVKWHLKFMXRTP-IBGZPJMESA-N 2 0 301.478 2.582 20 0 DFADRP COCCOc1ccc(C[NH2+]CC2(C)CC[NH+](C)CC2)cc1 ZINC000355782012 427887920 /nfs/dbraw/zinc/88/79/20/427887920.db2.gz QBWGDVFZSBAUBD-UHFFFAOYSA-N 2 0 306.450 2.533 20 0 DFADRP CC[N@H+](CC(=O)NC(C)(C)CC[NH+]1CCCCCC1)C1CC1 ZINC000359539733 427899080 /nfs/dbraw/zinc/89/90/80/427899080.db2.gz GEIDDZBGJRSBSH-UHFFFAOYSA-N 2 0 309.498 2.632 20 0 DFADRP C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC000345775765 427900635 /nfs/dbraw/zinc/90/06/35/427900635.db2.gz JENALPSPENXELU-XDNAFOTISA-N 2 0 323.525 2.734 20 0 DFADRP Cc1nc2ccccc2n1CCC[NH2+][C@H]1CC[N@@H+](C)C[C@H]1C ZINC000359552637 427906060 /nfs/dbraw/zinc/90/60/60/427906060.db2.gz NWEKVRZABXKYLZ-ZBFHGGJFSA-N 2 0 300.450 2.665 20 0 DFADRP Cc1nc2ccccc2n1CCC[NH2+][C@@H]1CC[N@@H+](C)C[C@H]1C ZINC000359552635 427906995 /nfs/dbraw/zinc/90/69/95/427906995.db2.gz NWEKVRZABXKYLZ-GDBMZVCRSA-N 2 0 300.450 2.665 20 0 DFADRP COc1ccc(OCC[N@H+](CCC[NH3+])Cc2ccccc2)cc1 ZINC000303988205 427910412 /nfs/dbraw/zinc/91/04/12/427910412.db2.gz NDDZBIJZUITZRY-UHFFFAOYSA-N 2 0 314.429 2.925 20 0 DFADRP Fc1ccc(/C=C/C[N@@H+]2CC[C@H](CN3CCOCC3)C2)c(F)c1 ZINC000349972424 427911081 /nfs/dbraw/zinc/91/10/81/427911081.db2.gz KCXBZODTYJGTHD-YLSAJCSVSA-N 2 0 322.399 2.632 20 0 DFADRP COc1cc2c(cc1F)[nH+]ccc2N(C)CC[N@H+](C)C1CC1 ZINC000359576107 427916439 /nfs/dbraw/zinc/91/64/39/427916439.db2.gz LCTFGNCYTXDEKX-UHFFFAOYSA-N 2 0 303.381 2.913 20 0 DFADRP C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)[C@H]1CCCC[C@]1(C)[NH3+] ZINC000345825066 427920353 /nfs/dbraw/zinc/92/03/53/427920353.db2.gz VRWJCJBPTLIVLE-NUJGCVRESA-N 2 0 309.498 2.665 20 0 DFADRP CCO[C@@H]1C[C@H]([NH2+]CCCCC[NH+]2CCCC2)C12CCOCC2 ZINC000340474178 427859354 /nfs/dbraw/zinc/85/93/54/427859354.db2.gz RJQFVIDGLHUQNZ-ZWKOTPCHSA-N 2 0 324.509 2.816 20 0 DFADRP CC[C@H](CN[C@@H]1CC[N@H+](C)[C@@H](C)C1)[NH+]1CCc2ccccc2C1 ZINC000359660995 427959754 /nfs/dbraw/zinc/95/97/54/427959754.db2.gz DXIXTGYZANKKGE-PWIZWCRZSA-N 2 0 315.505 2.896 20 0 DFADRP C[C@@H]1[C@H]([NH2+]C[C@](C)(O)C2CC2)CCCN1Cc1ccccc1 ZINC000340234949 427961921 /nfs/dbraw/zinc/96/19/21/427961921.db2.gz HBROWXXYMMZUKL-LZQZEXGQSA-N 2 0 302.462 2.790 20 0 DFADRP CC(C)[C@@H](C(=O)NCC1([NH+]2CCCCC2)CCCCC1)[NH+](C)C ZINC000340953117 427962401 /nfs/dbraw/zinc/96/24/01/427962401.db2.gz MGSIMVWOBGFADM-KRWDZBQOSA-N 2 0 323.525 2.878 20 0 DFADRP CC(C)[C@H](C[NH2+][C@@H](C)c1ccc(Cl)cn1)N1CC[NH+](C)CC1 ZINC000359662341 427963106 /nfs/dbraw/zinc/96/31/06/427963106.db2.gz JRLKLZHWTTVYQI-YOEHRIQHSA-N 2 0 324.900 2.658 20 0 DFADRP C[C@H](CCc1ccc2c(c1)OCO2)[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000337599527 427976208 /nfs/dbraw/zinc/97/62/08/427976208.db2.gz MYYAOARHSQXFEJ-DJIMGWMZSA-N 2 0 316.445 2.953 20 0 DFADRP C[C@@H]1C[N@@H+](CC2CC[NH+](CCc3cscn3)CC2)C[C@H](C)O1 ZINC000340282484 427976591 /nfs/dbraw/zinc/97/65/91/427976591.db2.gz KSHWZABRERUOIJ-GASCZTMLSA-N 2 0 323.506 2.507 20 0 DFADRP Cc1cccc(NC[C@@H]2CCCN2Cc2nc(C3CC3)no2)n1 ZINC000369510304 427983443 /nfs/dbraw/zinc/98/34/43/427983443.db2.gz DSNBDYCHLFWFKZ-AWEZNQCLSA-N 2 0 313.405 2.727 20 0 DFADRP CCNC(=O)C(C)(C)C[NH2+][C@H]1CCN(C)[C@@H](c2ccccc2)C1 ZINC000340335205 427988889 /nfs/dbraw/zinc/98/88/89/427988889.db2.gz VGWJCPMOUZSAAO-DLBZAZTESA-N 2 0 317.477 2.574 20 0 DFADRP C[N@@H+]1CCCC[C@@H]1CCC(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000350064363 427930674 /nfs/dbraw/zinc/93/06/74/427930674.db2.gz HAHNXVTZEDXFNB-OAHLLOKOSA-N 2 0 309.498 2.676 20 0 DFADRP C[C@H](CCNC(=O)C[C@H]1CCC[C@H]1[NH3+])[N@H+](C)Cc1ccccc1 ZINC000340116835 427931428 /nfs/dbraw/zinc/93/14/28/427931428.db2.gz BJLANVUHOIHWKB-KBAYOESNSA-N 2 0 317.477 2.531 20 0 DFADRP CCC[C@H]([NH2+]C(C)C)C(=O)N[C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000355915535 427945093 /nfs/dbraw/zinc/94/50/93/427945093.db2.gz HWXZKPTYNZWUNY-BQFCYCMXSA-N 2 0 323.525 2.922 20 0 DFADRP CCC[C@H]([NH2+]C(C)C)C(=O)N[C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000355915538 427946126 /nfs/dbraw/zinc/94/61/26/427946126.db2.gz HWXZKPTYNZWUNY-NUJGCVRESA-N 2 0 323.525 2.922 20 0 DFADRP C[N@@H+]1CCCC[C@@H]1CC[NH+]1CCC[C@H](c2nncn2C2CC2)C1 ZINC000340914160 427951675 /nfs/dbraw/zinc/95/16/75/427951675.db2.gz LVBQHLAJPDFFTL-JKSUJKDBSA-N 2 0 317.481 2.667 20 0 DFADRP CCCCC[N@H+](CCO)Cc1cn(-c2cc[nH+]cc2)nc1C ZINC000346144283 428035484 /nfs/dbraw/zinc/03/54/84/428035484.db2.gz FDXGNYTYBRWBED-UHFFFAOYSA-N 2 0 302.422 2.560 20 0 DFADRP CC[NH+](CC)CCOCC[NH2+][C@@H]1CCC[C@H]([C@H]2CCOC2)C1 ZINC000341382960 428053776 /nfs/dbraw/zinc/05/37/76/428053776.db2.gz QVCRPLREZNDRSP-OKZBNKHCSA-N 2 0 312.498 2.530 20 0 DFADRP CC(C)[NH+](CCNC1CC[NH+](Cc2ccccn2)CC1)C(C)C ZINC000341382122 428054409 /nfs/dbraw/zinc/05/44/09/428054409.db2.gz LOIROZQNKCCVPN-UHFFFAOYSA-N 2 0 318.509 2.754 20 0 DFADRP c1[nH+]cn2ccc(-c3noc(Cc4cn5ccccc5n4)n3)cc12 ZINC000351097539 428012722 /nfs/dbraw/zinc/01/27/22/428012722.db2.gz RGIXXGMIODTORO-UHFFFAOYSA-N 2 0 316.324 2.623 20 0 DFADRP CCC[N@H+](CC)C[C@@H](C)NC(=O)[C@H](c1ccccc1)[NH+](C)CC ZINC000359776131 428015433 /nfs/dbraw/zinc/01/54/33/428015433.db2.gz VQADGZMMRFRDSX-AEFFLSMTSA-N 2 0 319.493 2.916 20 0 DFADRP CC[NH+](CC)CCN(CC(C)C)C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000346213124 428074451 /nfs/dbraw/zinc/07/44/51/428074451.db2.gz JADOCCWFCPCIPQ-IRXDYDNUSA-N 2 0 311.514 2.543 20 0 DFADRP C[C@@H](C(=O)N(C)CC[C@@H]1CCCC[N@@H+]1C)[NH+]1CCCCCC1 ZINC000346225526 428078587 /nfs/dbraw/zinc/07/85/87/428078587.db2.gz ULWIUZAVDIQZEE-IRXDYDNUSA-N 2 0 309.498 2.584 20 0 DFADRP C[C@@H](C(=O)N(C)CC[C@H]1CCCC[N@@H+]1C)[NH+]1CCCCCC1 ZINC000346225516 428079477 /nfs/dbraw/zinc/07/94/77/428079477.db2.gz ULWIUZAVDIQZEE-DLBZAZTESA-N 2 0 309.498 2.584 20 0 DFADRP CC(C)(O)CC[N@H+]1C[C@@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1 ZINC000377316227 428103743 /nfs/dbraw/zinc/10/37/43/428103743.db2.gz LKAZBABXRVOXOZ-MSOLQXFVSA-N 2 0 302.462 2.601 20 0 DFADRP [NH3+][C@H]1CCC[C@H](C(=O)Nc2cccc(CC[NH+]3CCCC3)c2)C1 ZINC000346280715 428107217 /nfs/dbraw/zinc/10/72/17/428107217.db2.gz JZDFKJWEJRWZFJ-IRXDYDNUSA-N 2 0 315.461 2.781 20 0 DFADRP C[NH+](C)CCc1ccc(NC(=O)[C@H]2C[C@@H]3CCCC[N@@H+]3C2)cc1 ZINC000370008145 428107960 /nfs/dbraw/zinc/10/79/60/428107960.db2.gz HCSONFSJIAOXLG-WMZOPIPTSA-N 2 0 315.461 2.604 20 0 DFADRP C[NH+](C)CCc1ccc(NC(=O)[C@@H]2C[C@H]3CCCC[N@@H+]3C2)cc1 ZINC000370008144 428108520 /nfs/dbraw/zinc/10/85/20/428108520.db2.gz HCSONFSJIAOXLG-SJLPKXTDSA-N 2 0 315.461 2.604 20 0 DFADRP CCCCOC(=O)CN1CCC[C@H](c2ncc3n2CCCC3)C1 ZINC000370016052 428110129 /nfs/dbraw/zinc/11/01/29/428110129.db2.gz AALPWSWNAXQLPD-HNNXBMFYSA-N 2 0 319.449 2.742 20 0 DFADRP CC[C@H](C(=O)N[C@H](C[N@H+](C)Cc1ccccc1)C(C)C)[NH+](C)C ZINC000413717076 428117653 /nfs/dbraw/zinc/11/76/53/428117653.db2.gz VLBCSKFDAWYRAB-QZTJIDSGSA-N 2 0 319.493 2.599 20 0 DFADRP CC[NH+]1CCN(Cc2ccccc2C[NH2+][C@@H](C)C(C)C)CC1 ZINC000360025017 428122679 /nfs/dbraw/zinc/12/26/79/428122679.db2.gz QTKFHHYRWBIOIP-KRWDZBQOSA-N 2 0 303.494 2.958 20 0 DFADRP CCCC(=O)Nc1ccc(C[NH2+][C@H]2CC[N@H+](C)C[C@H]2C)cc1 ZINC000360026344 428123539 /nfs/dbraw/zinc/12/35/39/428123539.db2.gz YFZGNUNFOZFGOZ-PBHICJAKSA-N 2 0 303.450 2.855 20 0 DFADRP CC[NH+]1CCN(Cc2ccc(C[NH2+][C@@H](C)C(C)C)cc2)CC1 ZINC000360028535 428126046 /nfs/dbraw/zinc/12/60/46/428126046.db2.gz FZVMZULVHDNPAX-KRWDZBQOSA-N 2 0 303.494 2.958 20 0 DFADRP C[N@@H+]1CC[C@H](NCc2cc(COC(C)(C)C)on2)[C@H]2CCC[C@@H]21 ZINC000377128793 428064273 /nfs/dbraw/zinc/06/42/73/428064273.db2.gz PHYHLWAHXSQVBL-IKGGRYGDSA-N 2 0 321.465 2.952 20 0 DFADRP O[C@H](CC[N@@H+]1C[C@@H]2C[NH+]3CCCC[C@H]3[C@@H]2C1)c1ccccc1 ZINC000377124099 428064647 /nfs/dbraw/zinc/06/46/47/428064647.db2.gz CPIRAXIEBIKVCG-AKHDSKFASA-N 2 0 300.446 2.526 20 0 DFADRP [NH3+]CCC[N@@H+](Cc1cnn(CC(F)(F)F)c1)CC1CCCC1 ZINC000352535911 428140252 /nfs/dbraw/zinc/14/02/52/428140252.db2.gz XDAHTVUWPALIGO-UHFFFAOYSA-N 2 0 318.387 2.786 20 0 DFADRP COc1cc2c(cc1C[N@H+](CCC[NH3+])CC1CCCC1)OCO2 ZINC000352539466 428141954 /nfs/dbraw/zinc/14/19/54/428141954.db2.gz AZTXQKYSILZTEH-UHFFFAOYSA-N 2 0 320.433 2.765 20 0 DFADRP [NH3+]CC[C@@H]1CCCCN1Cc1cnn(Cc2ccc(F)cc2)c1 ZINC000352546332 428145742 /nfs/dbraw/zinc/14/57/42/428145742.db2.gz TVDBRYMDLBHAHE-SFHVURJKSA-N 2 0 316.424 2.774 20 0 DFADRP C[C@@H](Cn1ccnc1)[NH2+][C@@H](C)c1cccc(N2CCCC2=O)c1 ZINC000360035969 428128836 /nfs/dbraw/zinc/12/88/36/428128836.db2.gz DFYNWIZFMPXDOE-GJZGRUSLSA-N 2 0 312.417 2.749 20 0 DFADRP CC[N@@H+]1CC[C@@H](N(C)Cc2nc3cccnc3s2)[C@@H](C)C1 ZINC000341680774 428153948 /nfs/dbraw/zinc/15/39/48/428153948.db2.gz UWSDCEWKESKPTB-GXTWGEPZSA-N 2 0 304.463 2.853 20 0 DFADRP Cc1ccc(C[N@H+]2CCC[C@H](CN3CC[NH+](C)CC3)C2)c(C)c1 ZINC000377617614 428172321 /nfs/dbraw/zinc/17/23/21/428172321.db2.gz AOZVEGFABPNHMX-LJQANCHMSA-N 2 0 315.505 2.763 20 0 DFADRP CC1=CCC[C@H](C)[C@@H]1C[NH+]1CCC(C[NH+]2CCN(C)CC2)CC1 ZINC000377628941 428175446 /nfs/dbraw/zinc/17/54/46/428175446.db2.gz OYTILZSQKMYQOK-AZUAARDMSA-N 2 0 319.537 2.938 20 0 DFADRP C[C@H]([NH2+]Cc1ccc(C[NH+]2CCC(O)CC2)cc1)[C@@H]1C[C@H]1C ZINC000414114628 428210801 /nfs/dbraw/zinc/21/08/01/428210801.db2.gz LXCNNRRBKQUQGC-ZRGWGRIASA-N 2 0 302.462 2.777 20 0 DFADRP COc1ccc(C[C@@H](C)[NH2+]CC[C@@H](C)[NH+]2CCCCC2)cn1 ZINC000414124922 428212831 /nfs/dbraw/zinc/21/28/31/428212831.db2.gz CKLYCCNTVAMJQM-HZPDHXFCSA-N 2 0 305.466 2.875 20 0 DFADRP Cc1ccc(O)c(C[NH2+]C[C@@H]2CC[N@@H+](C)[C@@H]2c2ccccc2)n1 ZINC000377758245 428219302 /nfs/dbraw/zinc/21/93/02/428219302.db2.gz BYOHNZNJLSIGQU-QFBILLFUSA-N 2 0 311.429 2.878 20 0 DFADRP C[N@@H+]1CCCC[C@@H]1CC[NH+]1CCC[C@H](C(=O)N2CCCCC2)C1 ZINC000370488018 428221131 /nfs/dbraw/zinc/22/11/31/428221131.db2.gz KFMAWNJSOSNOCN-ZWKOTPCHSA-N 2 0 321.509 2.585 20 0 DFADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CCCc2ccncc2)[C@@H](C)C1 ZINC000346570907 428222553 /nfs/dbraw/zinc/22/25/53/428222553.db2.gz QAMOMHHTUDFMEK-PKOBYXMFSA-N 2 0 319.493 2.741 20 0 DFADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]CCCc2ccncc2)[C@H](C)C1 ZINC000346570905 428223226 /nfs/dbraw/zinc/22/32/26/428223226.db2.gz QAMOMHHTUDFMEK-MJGOQNOKSA-N 2 0 319.493 2.741 20 0 DFADRP C[C@@H]([NH2+]CC[C@@H]1CCC[N@H+](C)C1)c1ccccc1-n1ccnn1 ZINC000414168613 428223257 /nfs/dbraw/zinc/22/32/57/428223257.db2.gz AODBIGINGVXNLG-CVEARBPZSA-N 2 0 313.449 2.650 20 0 DFADRP CCCC[N@H+](C)CC1CCN(C(=O)[C@@H]2CC[NH2+][C@H]2C(C)C)CC1 ZINC000377763271 428223654 /nfs/dbraw/zinc/22/36/54/428223654.db2.gz VMEPTZNSTAILQH-MSOLQXFVSA-N 2 0 323.525 2.591 20 0 DFADRP COC(=O)c1csc([C@H](C)[NH2+]CC[C@@H]2CCC[N@H+](C)C2)c1 ZINC000414184684 428227646 /nfs/dbraw/zinc/22/76/46/428227646.db2.gz OCSCKBCIGRYGEN-STQMWFEESA-N 2 0 310.463 2.917 20 0 DFADRP C[C@@H]([NH2+]CC[C@H]1CCC[N@H+](C)C1)c1nc2ccccc2n1C ZINC000414184822 428228044 /nfs/dbraw/zinc/22/80/44/428228044.db2.gz OJMRJWOCEYEBQC-HUUCEWRRSA-N 2 0 300.450 2.956 20 0 DFADRP CC(C)(C)SCC[N@@H+]1CCC[C@H](CN2CCOCC2)C1 ZINC000370508547 428228242 /nfs/dbraw/zinc/22/82/42/428228242.db2.gz PIGVOLUKGPGOHH-HNNXBMFYSA-N 2 0 300.512 2.562 20 0 DFADRP CCOC1CC(O)(C[NH2+]C2CC[NH+]([C@H]3CCCC[C@H]3C)CC2)C1 ZINC000370526109 428231540 /nfs/dbraw/zinc/23/15/40/428231540.db2.gz IMUQCFNYOQVIAW-IZIZEDOESA-N 2 0 324.509 2.549 20 0 DFADRP CC[C@@H]1OCC[C@H]1[NH2+][C@H](C)c1cccc(OCC[NH+](C)C)c1 ZINC000414197685 428232121 /nfs/dbraw/zinc/23/21/21/428232121.db2.gz BWHNWXBIHSMZCO-OLMNPRSZSA-N 2 0 306.450 2.845 20 0 DFADRP C[N@@H+]1CCC[C@@H](CC[NH2+][C@@H]2CCC(=O)Nc3ccc(F)cc32)C1 ZINC000414203568 428232743 /nfs/dbraw/zinc/23/27/43/428232743.db2.gz ZMAHWBZBQSELPU-XJKSGUPXSA-N 2 0 319.424 2.921 20 0 DFADRP C[N@@H+]1CCC[C@@H]1CC[NH+]1C[C@H](CO)[C@@H](c2ccc(Cl)cc2)C1 ZINC000352770616 428240319 /nfs/dbraw/zinc/24/03/19/428240319.db2.gz NEUZNUPYPRCJBV-KBAYOESNSA-N 2 0 322.880 2.832 20 0 DFADRP Cc1ccncc1CCC[N@@H+]1CCC[C@@H]1[C@H]1COCC[C@]1(C)O ZINC000377698021 428199767 /nfs/dbraw/zinc/19/97/67/428199767.db2.gz PGBDSWBDSGBNEP-QRVBRYPASA-N 2 0 318.461 2.575 20 0 DFADRP CCC(CC)(CC)C[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000346684453 428273773 /nfs/dbraw/zinc/27/37/73/428273773.db2.gz PUXHTIQGJIYJHW-IRXDYDNUSA-N 2 0 323.525 2.783 20 0 DFADRP Cc1ccc(C[N@@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@@H](C)C2)cc1C ZINC000370695410 428274844 /nfs/dbraw/zinc/27/48/44/428274844.db2.gz AFFIDKZXOIEKPC-ICSRJNTNSA-N 2 0 315.505 2.761 20 0 DFADRP CSc1ccc(C[NH2+]CCN2CCC([NH+](C)C)CC2)s1 ZINC000352841556 428275403 /nfs/dbraw/zinc/27/54/03/428275403.db2.gz TYJNRQLXCHWFLD-UHFFFAOYSA-N 2 0 313.536 2.586 20 0 DFADRP C[C@@H]([NH3+])[C@@H]1CC[N@H+](Cc2c[nH]nc2-c2cccc(Cl)c2)C1 ZINC000346693216 428276496 /nfs/dbraw/zinc/27/64/96/428276496.db2.gz LNCOTCCAZSOYLW-DGCLKSJQSA-N 2 0 304.825 2.899 20 0 DFADRP Cc1ccc(C[N@@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@H](C)C2)c(C)c1 ZINC000370706674 428277943 /nfs/dbraw/zinc/27/79/43/428277943.db2.gz CCVVOHMTZNQXGA-QUCCMNQESA-N 2 0 315.505 2.761 20 0 DFADRP FC(F)(F)Oc1ccc(C[NH2+][C@@H]2CCc3nc[nH]c3C2)cc1 ZINC000370729669 428286550 /nfs/dbraw/zinc/28/65/50/428286550.db2.gz JPPRKDSHBBUXDQ-LLVKDONJSA-N 2 0 311.307 2.955 20 0 DFADRP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NCC[NH+]1CCCCC1 ZINC000346616866 428242515 /nfs/dbraw/zinc/24/25/15/428242515.db2.gz PHSJGUIAHVPVSN-AZUAARDMSA-N 2 0 315.505 2.973 20 0 DFADRP CC(C)Cc1ccc(C[N@H+](C)CCCN2CC[NH+](C)CC2)cc1 ZINC000352778448 428242674 /nfs/dbraw/zinc/24/26/74/428242674.db2.gz KYJKLITYDVTBSB-UHFFFAOYSA-N 2 0 317.521 2.954 20 0 DFADRP C[C@H]([NH3+])[C@H]1CCN(CC(C)(C)C[N@H+](C)Cc2ccccc2)C1 ZINC000346631833 428248715 /nfs/dbraw/zinc/24/87/15/428248715.db2.gz COOBTBUGLNGVNG-WMZOPIPTSA-N 2 0 303.494 2.814 20 0 DFADRP CC(C)(C)[NH+]1CCC([NH2+]C[C@@H](CO)c2ccc(F)cc2)CC1 ZINC000414285354 428250366 /nfs/dbraw/zinc/25/03/66/428250366.db2.gz HWPXPKDUSCQGTN-HNNXBMFYSA-N 2 0 308.441 2.754 20 0 DFADRP CC[NH+](CC)Cc1cccc(NC(=O)[C@@H]2C[NH+]3CCC2CC3)c1 ZINC000370612375 428252499 /nfs/dbraw/zinc/25/24/99/428252499.db2.gz LXZQJGPJHGBHQD-GOSISDBHSA-N 2 0 315.461 2.809 20 0 DFADRP CCN(CC)c1ncc(C[NH+]2CCC(CC[NH2+]C)CC2)s1 ZINC000346642511 428254300 /nfs/dbraw/zinc/25/43/00/428254300.db2.gz CGNFKXYGPNVKMF-UHFFFAOYSA-N 2 0 310.511 2.811 20 0 DFADRP CC[C@@H]1CC[C@@H]1[NH2+]CC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000414310347 428257088 /nfs/dbraw/zinc/25/70/88/428257088.db2.gz SWCLKPIHPBLPCL-MSOLQXFVSA-N 2 0 302.462 2.792 20 0 DFADRP Cc1nc(C)c([C@H](C)[NH2+][C@H]2CCN(C3CC[NH+](C)CC3)C2)s1 ZINC000370632425 428257423 /nfs/dbraw/zinc/25/74/23/428257423.db2.gz APOICJJLBVHUPQ-ZFWWWQNUSA-N 2 0 322.522 2.579 20 0 DFADRP COc1cc(C[NH+]2CCC(OCCC[NH3+])CC2)ccc1SC ZINC000346656627 428259185 /nfs/dbraw/zinc/25/91/85/428259185.db2.gz GPRMWYDXOCNSPA-UHFFFAOYSA-N 2 0 324.490 2.747 20 0 DFADRP Cc1nn(-c2cc[nH+]cc2)cc1CN1CCO[C@H](C2CCC2)C1 ZINC000414474408 428308767 /nfs/dbraw/zinc/30/87/67/428308767.db2.gz SFTSCCKTWZPASJ-SFHVURJKSA-N 2 0 312.417 2.577 20 0 DFADRP C[N@@H+]1CCCC[C@@H]1CCN1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000370879056 428313485 /nfs/dbraw/zinc/31/34/85/428313485.db2.gz LAMKOGNFAKQSRG-ZHALLVOQSA-N 2 0 305.510 2.810 20 0 DFADRP C[C@H]([NH2+][C@@H]1CCCN(C)[C@H]1C)c1cccc(OCC[NH+](C)C)c1 ZINC000346788177 428316846 /nfs/dbraw/zinc/31/68/46/428316846.db2.gz HBMGYFPBRQHICT-TXPKVOOTSA-N 2 0 319.493 2.760 20 0 DFADRP CC[NH+]1CCN(c2ccccc2C[NH2+]C[C@H](C)CCOC)CC1 ZINC000414489892 428319605 /nfs/dbraw/zinc/31/96/05/428319605.db2.gz ZYDQDHOGYBOMFB-QGZVFWFLSA-N 2 0 319.493 2.591 20 0 DFADRP CCOc1ccc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)cc1OC ZINC000346824914 428331193 /nfs/dbraw/zinc/33/11/93/428331193.db2.gz CZBINFMAGZLQIT-JYJNAYRXSA-N 2 0 304.434 2.653 20 0 DFADRP C[C@@H]1C[C@H](N(C)C[C@H]2CCC[NH2+]C2)CC[N@@H+]1Cc1ccccc1 ZINC000346824934 428332349 /nfs/dbraw/zinc/33/23/49/428332349.db2.gz DCAYDZGUOJWYBK-YZGWKJHDSA-N 2 0 315.505 2.971 20 0 DFADRP CCOc1ccc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)cc1OC ZINC000346824915 428332974 /nfs/dbraw/zinc/33/29/74/428332974.db2.gz CZBINFMAGZLQIT-XHSDSOJGSA-N 2 0 304.434 2.653 20 0 DFADRP CC(C)n1ncc2cc(C[N@@H+]3C[C@@H]4CCC[C@@H]([NH3+])[C@@H]4C3)cnc21 ZINC000346829890 428335003 /nfs/dbraw/zinc/33/50/03/428335003.db2.gz OJQYUUCAKDFRKU-USXIJHARSA-N 2 0 313.449 2.571 20 0 DFADRP CC[NH+](CC)[C@H](C(=O)N1CCN(C)[C@@H](C)[C@H]1C)c1ccccc1 ZINC000356851458 428337869 /nfs/dbraw/zinc/33/78/69/428337869.db2.gz MVFXEOOTPXWSDA-JZXOWHBKSA-N 2 0 317.477 2.621 20 0 DFADRP [NH3+][C@@H]1CCC[C@H]2C[N@H+](Cc3ccc(Oc4cnccn4)cc3)C[C@@H]21 ZINC000346839749 428338915 /nfs/dbraw/zinc/33/89/15/428338915.db2.gz SVUSKJODPMJGPB-RYQLBKOJSA-N 2 0 324.428 2.828 20 0 DFADRP C[C@H](Cn1ccnc1)[NH2+][C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000356858321 428340055 /nfs/dbraw/zinc/34/00/55/428340055.db2.gz XMHBDMBYEDPJSB-GSEOLPGOSA-N 2 0 324.472 2.772 20 0 DFADRP CCOCc1cc(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)ccc1OC ZINC000346844745 428341624 /nfs/dbraw/zinc/34/16/24/428341624.db2.gz JWHIPOSZAJCDDH-CGTJXYLNSA-N 2 0 318.461 2.791 20 0 DFADRP C[C@H]1C[C@H](CNC(=[NH2+])Nc2ccccn2)C[N@@H+]1Cc1ccccc1 ZINC000371017796 428341806 /nfs/dbraw/zinc/34/18/06/428341806.db2.gz UEZYUSHAJOLCKG-DOTOQJQBSA-N 2 0 323.444 2.928 20 0 DFADRP COc1cc(C[N@@H+]2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)ccc1OC(C)C ZINC000346852307 428345985 /nfs/dbraw/zinc/34/59/85/428345985.db2.gz KOKDFMDYBRKKOB-XHSDSOJGSA-N 2 0 304.434 2.652 20 0 DFADRP c1ccc(-n2nc(CN3CC[C@@]4(CC[NH2+]C4)C3)c3c2CCC3)cc1 ZINC000360566485 428351579 /nfs/dbraw/zinc/35/15/79/428351579.db2.gz ZNCNMDJRKMRLSH-HXUWFJFHSA-N 2 0 322.456 2.546 20 0 DFADRP CC(C)c1ccccc1NC(=O)[C@H](C)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000360568713 428353033 /nfs/dbraw/zinc/35/30/33/428353033.db2.gz LGGBZOWPXFZELK-HNAYVOBHSA-N 2 0 315.461 2.822 20 0 DFADRP CCc1nc(CN2CCC[C@H]2Cn2ccnc2C(C)C)no1 ZINC000371074650 428354493 /nfs/dbraw/zinc/35/44/93/428354493.db2.gz OSCFEXWAPDUJKC-ZDUSSCGKSA-N 2 0 303.410 2.617 20 0 DFADRP c1nc(C2CC2)ncc1CC[NH2+]C1CC[NH+](C2CCCC2)CC1 ZINC000378400051 428388476 /nfs/dbraw/zinc/38/84/76/428388476.db2.gz HCSBABJOSFYTOF-UHFFFAOYSA-N 2 0 314.477 2.893 20 0 DFADRP FC(F)(F)c1ccn(C2CC[NH+](C[C@H]3CCC[NH2+]C3)CC2)n1 ZINC000346972546 428389527 /nfs/dbraw/zinc/38/95/27/428389527.db2.gz HUJDUFWLHGFAEC-LBPRGKRZSA-N 2 0 316.371 2.538 20 0 DFADRP CC[N@@H+](Cc1ccc(C(=O)N(C)C)cc1)C[C@H]1CC[NH2+][C@H](C)C1 ZINC000414735033 428389860 /nfs/dbraw/zinc/38/98/60/428389860.db2.gz BVCZDKCXCJTDSF-WBVHZDCISA-N 2 0 317.477 2.598 20 0 DFADRP C[C@H]1C[C@@H](C[NH+]2CCC(C(=O)NC3CCCCC3)CC2)CC[NH2+]1 ZINC000414741141 428390773 /nfs/dbraw/zinc/39/07/73/428390773.db2.gz HLEZLPTUOGTHQP-HOTGVXAUSA-N 2 0 321.509 2.535 20 0 DFADRP Cc1nn(Cc2ccccc2)c(C)c1CN1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000357106987 428390791 /nfs/dbraw/zinc/39/07/91/428390791.db2.gz RMCGEEVLWMTERC-MOPGFXCFSA-N 2 0 324.472 2.590 20 0 DFADRP Cc1nn(-c2cccc(F)c2)cc1C[N@@H+]1CCC[C@H](CC[NH3+])C1 ZINC000414737282 428391433 /nfs/dbraw/zinc/39/14/33/428391433.db2.gz NMJILZCPYNRUIH-OAHLLOKOSA-N 2 0 316.424 2.881 20 0 DFADRP C[C@H]1C[C@@H](C[NH+]2CCC(NC(=O)CC3CCCC3)CC2)CC[NH2+]1 ZINC000414743197 428391800 /nfs/dbraw/zinc/39/18/00/428391800.db2.gz OICDEIFMYDXEMN-RDJZCZTQSA-N 2 0 321.509 2.535 20 0 DFADRP CCCn1nccc1C1CC[NH+](C[C@H]2CC[NH2+][C@H](C)C2)CC1 ZINC000414751066 428393578 /nfs/dbraw/zinc/39/35/78/428393578.db2.gz ZNNVYDVHVFCCNL-CVEARBPZSA-N 2 0 304.482 2.861 20 0 DFADRP Cc1cc(NCC[N@@H+]2CCOC(C)(C)C2)c2cc(F)ccc2[nH+]1 ZINC000360677271 428394531 /nfs/dbraw/zinc/39/45/31/428394531.db2.gz XTEDMXKFLRPLKM-UHFFFAOYSA-N 2 0 317.408 2.627 20 0 DFADRP C[N@H+]1CC=C(C[NH2+]C2CC[NH+](CC3CCCCC3)CC2)CC1 ZINC000371514209 428396098 /nfs/dbraw/zinc/39/60/98/428396098.db2.gz LBWODRXEYUDWHS-UHFFFAOYSA-N 2 0 305.510 2.883 20 0 DFADRP CC(C)[N@@H+]1CCc2nc(CN[C@@H]3CCCC[C@@H]3C[NH3+])sc2C1 ZINC000414793123 428414103 /nfs/dbraw/zinc/41/41/03/428414103.db2.gz DECBZDJPMIEBNQ-ZIAGYGMSSA-N 2 0 322.522 2.517 20 0 DFADRP CCOc1cc(C[N@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)ccc1OC ZINC000414764004 428397992 /nfs/dbraw/zinc/39/79/92/428397992.db2.gz CWCDKAOUKHJLDQ-IYBDPMFKSA-N 2 0 304.434 2.525 20 0 DFADRP c1nc(-c2ccccn2)sc1C[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000414768633 428398125 /nfs/dbraw/zinc/39/81/25/428398125.db2.gz MDDPDLJOMZBZOI-OKILXGFUSA-N 2 0 314.458 2.637 20 0 DFADRP CC(C)N(C)c1ccc(C[N@@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)cn1 ZINC000414773634 428400115 /nfs/dbraw/zinc/40/01/15/428400115.db2.gz DQBOIRYDEGGWKF-ZWKOTPCHSA-N 2 0 316.493 2.748 20 0 DFADRP O=c1[nH]c2ccccc2cc1C[N@@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000414775022 428400392 /nfs/dbraw/zinc/40/03/92/428400392.db2.gz GAYYVFBZROMNFP-CVEARBPZSA-N 2 0 311.429 2.762 20 0 DFADRP COc1ccc2nc(C[N@H+]3CC[C@H]4C[NH2+]C[C@H]4CC3)sc2c1 ZINC000414773239 428401203 /nfs/dbraw/zinc/40/12/03/428401203.db2.gz WVLNHNOBQVLVRN-BETUJISGSA-N 2 0 317.458 2.736 20 0 DFADRP C[C@H]1C[N@H+](CCCC2CCCC2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000360689030 428401854 /nfs/dbraw/zinc/40/18/54/428401854.db2.gz DPNYVZXGKGNOBR-PKOBYXMFSA-N 2 0 307.526 2.915 20 0 DFADRP c1cn(-c2ccc(C[N@@H+]3CCC[C@@H]([C@@H]4CC[NH2+]C4)C3)cc2)cn1 ZINC000414775729 428403300 /nfs/dbraw/zinc/40/33/00/428403300.db2.gz GNJODKHCVHQSNP-QZTJIDSGSA-N 2 0 310.445 2.694 20 0 DFADRP c1cn(Cc2ccccc2)c(C[N@@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)n1 ZINC000414775793 428403976 /nfs/dbraw/zinc/40/39/76/428403976.db2.gz GWJKOQWGAAHAFH-RBUKOAKNSA-N 2 0 324.472 2.753 20 0 DFADRP c1cn(Cc2ccccc2)c(C[N@@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)n1 ZINC000414775794 428404632 /nfs/dbraw/zinc/40/46/32/428404632.db2.gz GWJKOQWGAAHAFH-RTBURBONSA-N 2 0 324.472 2.753 20 0 DFADRP COCCOc1cccc(C[N@@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)c1 ZINC000414784980 428405813 /nfs/dbraw/zinc/40/58/13/428405813.db2.gz RXODUMZWEZBCJW-QZTJIDSGSA-N 2 0 318.461 2.533 20 0 DFADRP [NH3+]C[C@H]1C[N@H+](Cc2ccc(C3CC3)cc2)CC12CCOCC2 ZINC000414783543 428407897 /nfs/dbraw/zinc/40/78/97/428407897.db2.gz QATCYVYYCYPAAK-SFHVURJKSA-N 2 0 300.446 2.751 20 0 DFADRP c1cnn(-c2ccc(C[N@@H+]3CCC[C@@H]([C@H]4CC[NH2+]C4)C3)cc2)c1 ZINC000414785304 428408004 /nfs/dbraw/zinc/40/80/04/428408004.db2.gz SIUJGYOQEUFVFE-ZWKOTPCHSA-N 2 0 310.445 2.694 20 0 DFADRP C[C@@H](Cc1ccc(Br)cc1F)[NH2+]C1CC[NH2+]CC1 ZINC000414785765 428408715 /nfs/dbraw/zinc/40/87/15/428408715.db2.gz WCPLERWKVIAQOB-JTQLQIEISA-N 2 0 315.230 2.861 20 0 DFADRP CC(C)[C@@H]([NH3+])CNC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000414786854 428409167 /nfs/dbraw/zinc/40/91/67/428409167.db2.gz BLGPMSSJJOTJLK-KRWDZBQOSA-N 2 0 309.885 2.877 20 0 DFADRP Brc1cncc(C[N@@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)c1 ZINC000414786640 428409230 /nfs/dbraw/zinc/40/92/30/428409230.db2.gz UQUJKGTWFWEKNA-KBPBESRZSA-N 2 0 324.266 2.666 20 0 DFADRP CC(C)[C@H]([NH3+])CNC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000414786855 428409321 /nfs/dbraw/zinc/40/93/21/428409321.db2.gz BLGPMSSJJOTJLK-QGZVFWFLSA-N 2 0 309.885 2.877 20 0 DFADRP CC(C)Cc1ncc(C[NH+]2CCC([C@@H]3OCC[C@H]3[NH3+])CC2)s1 ZINC000414788059 428410118 /nfs/dbraw/zinc/41/01/18/428410118.db2.gz MWFWTNFDLZCVNA-WBVHZDCISA-N 2 0 323.506 2.670 20 0 DFADRP C[C@@H]([NH3+])C1CC[NH+](Cc2nc3cc(Cl)ccc3n2C)CC1 ZINC000347022988 428410751 /nfs/dbraw/zinc/41/07/51/428410751.db2.gz OYZIXXWNPKWSSU-LLVKDONJSA-N 2 0 306.841 2.786 20 0 DFADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]Cc1cnn(Cc2ccc(F)cc2)c1 ZINC000414794881 428412058 /nfs/dbraw/zinc/41/20/58/428412058.db2.gz GBBPJTIKFBOYBD-WMZOPIPTSA-N 2 0 316.424 2.678 20 0 DFADRP Cn1c2cc(Cl)ccc2nc1C[NH2+][C@H]1CCCC[C@H]1C[NH3+] ZINC000414795661 428412601 /nfs/dbraw/zinc/41/26/01/428412601.db2.gz GTZDCAHTYCTYCH-AAEUAGOBSA-N 2 0 306.841 2.834 20 0 DFADRP C[C@@H]([NH2+][C@@H]1CCN(C2CC[NH+](C)CC2)C1)c1ccc(Cl)nc1 ZINC000378297362 428357485 /nfs/dbraw/zinc/35/74/85/428357485.db2.gz XLVFLFALBCZTAQ-UKRRQHHQSA-N 2 0 322.884 2.554 20 0 DFADRP CCc1cccnc1[C@@H](C)[NH2+]C[C@@H](C)CN1CC[NH+](CC)CC1 ZINC000356908430 428357630 /nfs/dbraw/zinc/35/76/30/428357630.db2.gz XPGHKGGPJJSYDY-IAGOWNOFSA-N 2 0 318.509 2.568 20 0 DFADRP CC[NH+]1CCN(c2ccccc2C[NH2+][C@@H]2C[C@H]2C(F)F)CC1 ZINC000342224675 428358755 /nfs/dbraw/zinc/35/87/55/428358755.db2.gz JBHBXWYJZNPRRC-HUUCEWRRSA-N 2 0 309.404 2.572 20 0 DFADRP CC(C)(C)[N@@H+]1CC[C@@](F)(c2nc(-c3ccc(C[NH3+])cc3)no2)C1 ZINC000414652833 428364953 /nfs/dbraw/zinc/36/49/53/428364953.db2.gz WREWXGXLXCKHLG-KRWDZBQOSA-N 2 0 318.396 2.864 20 0 DFADRP C[C@@H]1C[C@H]([NH2+]C[C@H]2CCOC[C@H]2C)CN1Cc1ccccc1 ZINC000353049455 428369417 /nfs/dbraw/zinc/36/94/17/428369417.db2.gz SSMKYDDRUMKXJH-RWQQGDIJSA-N 2 0 302.462 2.912 20 0 DFADRP COc1ccc(C[NH+]2CCC([C@@H]3CC[NH2+]C3)CC2)cc1OC ZINC000357050392 428374773 /nfs/dbraw/zinc/37/47/73/428374773.db2.gz MLDOATJBXCGVDJ-MRXNPFEDSA-N 2 0 304.434 2.525 20 0 DFADRP C[C@H]1C[C@@H](C[N@@H+]2CCCN(Cc3ccc(F)cc3)CC2)CC[NH2+]1 ZINC000414684846 428376648 /nfs/dbraw/zinc/37/66/48/428376648.db2.gz WZMNYCVJKPKBDF-WMZOPIPTSA-N 2 0 319.468 2.722 20 0 DFADRP CC(C)[C@H](c1ccccc1)[N@H+](C)C[C@@H]1CCCN(C(=O)C[NH3+])C1 ZINC000414688523 428376974 /nfs/dbraw/zinc/37/69/74/428376974.db2.gz DRDYLJGNVNKWLP-QFBILLFUSA-N 2 0 317.477 2.513 20 0 DFADRP CCN(CC)C(=O)C1([NH2+]C[C@H]2CC[NH2+][C@H](C)C2)CCCCC1 ZINC000414697538 428378228 /nfs/dbraw/zinc/37/82/28/428378228.db2.gz CDKCNWAFBPGXSJ-CVEARBPZSA-N 2 0 309.498 2.535 20 0 DFADRP C[C@@H]1C[N@H+](C)C[C@H]1NC[C@@H]1CCCC[NH+](Cc2ccccc2)C1 ZINC000353081717 428378644 /nfs/dbraw/zinc/37/86/44/428378644.db2.gz OEPQHUVKVKGWIK-YZGWKJHDSA-N 2 0 315.505 2.828 20 0 DFADRP C[C@@H]1C[C@H](C[N@H+](C)[C@H]2CCCN(c3ccccc3)C2)CC[NH2+]1 ZINC000414698138 428378846 /nfs/dbraw/zinc/37/88/46/428378846.db2.gz IPPRKZCMOFBPDF-LMMKCTJWSA-N 2 0 301.478 2.975 20 0 DFADRP C[C@H]1C[C@H](C[N@H+](CCCO)Cc2cccc(Cl)c2)CC[NH2+]1 ZINC000414698364 428379724 /nfs/dbraw/zinc/37/97/24/428379724.db2.gz DCHUPUNHLANWJE-GOEBONIOSA-N 2 0 310.869 2.913 20 0 DFADRP C[C@@H]1C[C@@H](C[N@H+](C)CC2CCN(c3cc[nH+]cc3)CC2)CC[NH2+]1 ZINC000414704219 428381483 /nfs/dbraw/zinc/38/14/83/428381483.db2.gz CZGVNHDTGBVGME-AEFFLSMTSA-N 2 0 316.493 2.618 20 0 DFADRP CCC[N@H+](C[C@@H]1CC[NH2+][C@@H](C)C1)C[C@@H]1COc2ccccc2O1 ZINC000414703731 428381707 /nfs/dbraw/zinc/38/17/07/428381707.db2.gz LVGJKELGKFQMBW-GVDBMIGSSA-N 2 0 318.461 2.927 20 0 DFADRP C[C@@H]1C[C@H](C[NH2+]C2(c3ccc(F)cc3F)CCOCC2)CC[NH2+]1 ZINC000414711854 428383162 /nfs/dbraw/zinc/38/31/62/428383162.db2.gz RSAQAIPHLSCZAC-ZIAGYGMSSA-N 2 0 324.415 2.948 20 0 DFADRP C[C@H](c1ccsc1)N1CC[NH+](C[C@H]2CC[NH2+][C@H](C)C2)CC1 ZINC000414714859 428383206 /nfs/dbraw/zinc/38/32/06/428383206.db2.gz QLAYUEOWCFUBLD-OAGGEKHMSA-N 2 0 307.507 2.815 20 0 DFADRP C[C@H]1C[C@H](C[NH2+]C(C)(C)CN(C)Cc2ccccc2)CC[NH2+]1 ZINC000414709597 428384010 /nfs/dbraw/zinc/38/40/10/428384010.db2.gz OYJRDZPSYVJULC-FUHWJXTLSA-N 2 0 303.494 2.875 20 0 DFADRP Clc1ccc(CN[C@@H]2CCC[NH2+]C2)cc1Br ZINC000414872219 428441908 /nfs/dbraw/zinc/44/19/08/428441908.db2.gz WDPPCHFZVLIABM-SNVBAGLBSA-N 2 0 303.631 2.944 20 0 DFADRP C[C@H](Cc1ccc(Br)c(F)c1)[NH2+]CC1([NH3+])CCC1 ZINC000414879983 428444148 /nfs/dbraw/zinc/44/41/48/428444148.db2.gz QEEVVUKOJBZAHV-SNVBAGLBSA-N 2 0 315.230 2.990 20 0 DFADRP C[C@@H]([NH3+])C1CC[NH+](Cc2c[nH]nc2-c2ccc(F)cc2)CC1 ZINC000347099990 428444781 /nfs/dbraw/zinc/44/47/81/428444781.db2.gz JYXNQUQLVOCYEU-GFCCVEGCSA-N 2 0 302.397 2.775 20 0 DFADRP c1ccc(CC[NH+]2CCC(CC[NH+]3CCOCC3)CC2)cc1 ZINC000360809881 428447557 /nfs/dbraw/zinc/44/75/57/428447557.db2.gz JPTPBRPCYDYVDU-UHFFFAOYSA-N 2 0 302.462 2.663 20 0 DFADRP CC(C)[C@H](O)CC[NH2+][C@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000357233891 428448713 /nfs/dbraw/zinc/44/87/13/428448713.db2.gz RTCMSXNABMUYKB-BHIYHBOVSA-N 2 0 304.478 2.894 20 0 DFADRP CC1(C[NH2+]Cc2cc(Cl)c3c(c2)OCCO3)CC[NH2+]CC1 ZINC000414897454 428449499 /nfs/dbraw/zinc/44/94/99/428449499.db2.gz BPQBELFJRYNZAJ-UHFFFAOYSA-N 2 0 310.825 2.591 20 0 DFADRP COCCOC[C@H](C)[NH2+][C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000357241510 428450981 /nfs/dbraw/zinc/45/09/81/428450981.db2.gz XLJYWNRVKYSNNL-LNLFQRSKSA-N 2 0 320.477 2.538 20 0 DFADRP CC1(C[NH2+]C2CCN(CCc3ccccc3)CC2)CC[NH2+]CC1 ZINC000414910806 428454312 /nfs/dbraw/zinc/45/43/12/428454312.db2.gz STSCLXMHBCMOQR-UHFFFAOYSA-N 2 0 315.505 2.673 20 0 DFADRP Cc1ccc(NC(=O)C[C@H](C)N[C@H]2C[NH2+]CC[C@H]2C)c(C)c1 ZINC000414910423 428455061 /nfs/dbraw/zinc/45/50/61/428455061.db2.gz CQHQXUMDFAPNKQ-KMFMINBZSA-N 2 0 303.450 2.608 20 0 DFADRP COCC[C@H](Cc1cccc(F)c1)[NH2+]C[C@@]1(C)CCC[NH2+]C1 ZINC000414920064 428456687 /nfs/dbraw/zinc/45/66/87/428456687.db2.gz YLCKYERDFOGZKZ-MSOLQXFVSA-N 2 0 308.441 2.753 20 0 DFADRP Cc1cccc(NC(=O)C[C@@H](C)[NH2+]C[C@]2(C)CCC[NH2+]C2)c1C ZINC000414919146 428456925 /nfs/dbraw/zinc/45/69/25/428456925.db2.gz WGYXADVMBZCIPD-DNVCBOLYSA-N 2 0 317.477 3.000 20 0 DFADRP [NH3+][C@H]1CCC[C@H]([NH2+]Cc2ccc(Br)c(F)c2)C1 ZINC000414931455 428460821 /nfs/dbraw/zinc/46/08/21/428460821.db2.gz UQIAGAHRRWVGSU-QWRGUYRKSA-N 2 0 301.203 2.948 20 0 DFADRP Cc1cccc(NC(=O)C[C@H](C)[NH2+][C@@H]2CC[NH2+]C[C@H]2C)c1C ZINC000414934544 428463144 /nfs/dbraw/zinc/46/31/44/428463144.db2.gz FDWRCTYUCVUSCX-IJEWVQPXSA-N 2 0 303.450 2.608 20 0 DFADRP Cc1ccc(NC(=O)C[C@H](C)[NH2+][C@H]2CC[NH2+]C[C@@H]2C)c(Cl)c1 ZINC000414940901 428463633 /nfs/dbraw/zinc/46/36/33/428463633.db2.gz KZBQVRNORHGXJW-YDHLFZDLSA-N 2 0 323.868 2.953 20 0 DFADRP C[C@@H]1C[C@H](N[C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)CC[NH2+]1 ZINC000414944855 428466254 /nfs/dbraw/zinc/46/62/54/428466254.db2.gz HLGSNUWDFIJJNK-RWQQGDIJSA-N 2 0 301.478 2.770 20 0 DFADRP Cc1ccc(Cl)cc1NC(=O)C[C@H](C)[NH2+][C@@H]1CC[NH2+]C[C@H]1C ZINC000414945541 428466566 /nfs/dbraw/zinc/46/65/66/428466566.db2.gz RUQURMMYKLQPFK-VNHYZAJKSA-N 2 0 323.868 2.953 20 0 DFADRP CC[C@H](Cc1ccc(OC)c(OC)c1)[NH2+][C@H]1CC[NH2+][C@@H](C)C1 ZINC000414947974 428466838 /nfs/dbraw/zinc/46/68/38/428466838.db2.gz LPLPTYHYFVJCCZ-IMJJTQAJSA-N 2 0 306.450 2.755 20 0 DFADRP COC[C@]1(C[NH2+][C@@H]2CC[C@@](C)(c3ccccc3)C2)CCC[NH2+]1 ZINC000414950108 428467921 /nfs/dbraw/zinc/46/79/21/428467921.db2.gz DOUJBSIIQPUSKT-GUDVDZBRSA-N 2 0 302.462 2.855 20 0 DFADRP C[C@H]1C[NH2+]CC[C@H]1[NH2+]Cc1ccc(F)c(Br)c1 ZINC000414953189 428469134 /nfs/dbraw/zinc/46/91/34/428469134.db2.gz JEXBPNUVFCAHKV-TVQRCGJNSA-N 2 0 301.203 2.676 20 0 DFADRP C[C@H](c1ccccc1)N1CC[C@H]([NH2+][C@H]2CCCC[C@@H]2C[NH3+])C1 ZINC000414801720 428415732 /nfs/dbraw/zinc/41/57/32/428415732.db2.gz MALHTLCXXILLCN-YSHGAJCASA-N 2 0 301.478 2.929 20 0 DFADRP Cc1nn(-c2cccc(F)c2)cc1C[NH2+][C@@H]1CCCC[C@@H]1C[NH3+] ZINC000414801566 428415960 /nfs/dbraw/zinc/41/59/60/428415960.db2.gz LYLAXTHQBPWEBG-RDTXWAMCSA-N 2 0 316.424 2.927 20 0 DFADRP CC(C)[C@H]([NH3+])CNC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000414800273 428416129 /nfs/dbraw/zinc/41/61/29/428416129.db2.gz SBDDLSZTWMPSIV-XVLXNVKGSA-N 2 0 301.478 2.755 20 0 DFADRP C[C@H](CCc1ccc2c(c1)OCO2)[NH2+][C@@H]1CCCC[C@H]1C[NH3+] ZINC000414811047 428418067 /nfs/dbraw/zinc/41/80/67/428418067.db2.gz VZFUKIZCTARTSI-VNQPRFMTSA-N 2 0 304.434 2.844 20 0 DFADRP COc1cc2c(c(C[NH2+][C@@H]3CCCC[C@H]3C[NH3+])c1)O[C@@H](C)C2 ZINC000414810286 428418279 /nfs/dbraw/zinc/41/82/79/428418279.db2.gz VEYHFSXHRFECLH-GDZNZVCISA-N 2 0 304.434 2.626 20 0 DFADRP CC[NH+](CC)CCC[C@@H](C)NC(=O)C1C[C@H]2CCC[C@@H](C1)C2[NH3+] ZINC000357173393 428418903 /nfs/dbraw/zinc/41/89/03/428418903.db2.gz JYRFGFQRHMNDDC-ZGOKBZQCSA-N 2 0 323.525 2.767 20 0 DFADRP COCC[C@@H](Cc1cccc(F)c1)[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000414822267 428423540 /nfs/dbraw/zinc/42/35/40/428423540.db2.gz CNKWMBUEGLOZEU-KTGAGVNESA-N 2 0 306.425 2.646 20 0 DFADRP CCCOc1ccc(C[NH2+][C@H](C)[C@H]2CCC[NH2+]C2)cc1OC ZINC000414822485 428423891 /nfs/dbraw/zinc/42/38/91/428423891.db2.gz AGBCIIUKMLNFSH-ZBFHGGJFSA-N 2 0 306.450 2.962 20 0 DFADRP CSC1(C[NH2+]Cc2scnc2C2CC2)CC[NH+](C)CC1 ZINC000353192146 428423919 /nfs/dbraw/zinc/42/39/19/428423919.db2.gz PZJUWCDXDRJGHP-UHFFFAOYSA-N 2 0 311.520 2.938 20 0 DFADRP CCC(C)(C)[NH2+][C@@H](C)C(=O)NC[C@H](c1ccc(C)cc1)[NH+](C)C ZINC000347049357 428424194 /nfs/dbraw/zinc/42/41/94/428424194.db2.gz WMJYZRVHBFEGPK-DOTOQJQBSA-N 2 0 319.493 2.881 20 0 DFADRP C[C@@H]1C[C@@H]([NH2+]CC[C@@H]2CC[NH2+]C2)CCN1Cc1ccccc1 ZINC000414826461 428424482 /nfs/dbraw/zinc/42/44/82/428424482.db2.gz FOAHJJQCWLDWKN-AOIWGVFYSA-N 2 0 301.478 2.629 20 0 DFADRP FC(F)(F)COc1ccc(C[NH2+]C[C@H]2CCC[NH2+]C2)cc1 ZINC000414822251 428424571 /nfs/dbraw/zinc/42/45/71/428424571.db2.gz CLWPVSQXRXQYFR-ZDUSSCGKSA-N 2 0 302.340 2.717 20 0 DFADRP C[C@@H]([NH3+])CC[NH2+][C@@H](C)CC(=O)Nc1ccccc1C(F)(F)F ZINC000414824123 428425144 /nfs/dbraw/zinc/42/51/44/428425144.db2.gz QAZGGYKUPLHWDT-MNOVXSKESA-N 2 0 317.355 2.749 20 0 DFADRP CCc1ccccc1NC(=O)C[C@H](C)[NH2+]CC[C@H]1CC[NH2+]C1 ZINC000414825007 428425206 /nfs/dbraw/zinc/42/52/06/428425206.db2.gz BPBRQQKZWZAJHO-LSDHHAIUSA-N 2 0 303.450 2.555 20 0 DFADRP FC(F)(F)COc1cccc(C[NH2+]C[C@@H]2CCC[NH2+]C2)c1 ZINC000414831804 428426806 /nfs/dbraw/zinc/42/68/06/428426806.db2.gz PUJPSUBHTBJICE-CYBMUJFWSA-N 2 0 302.340 2.717 20 0 DFADRP COc1ccc(C[C@@H](C)C[NH2+]CC[C@H]2CCC[NH2+]C2)cc1F ZINC000414835925 428427212 /nfs/dbraw/zinc/42/72/12/428427212.db2.gz ITCPLKSHKVLQSA-HUUCEWRRSA-N 2 0 308.441 2.992 20 0 DFADRP COC(=O)c1ccc(Cl)c(C[NH2+]CC[C@H]2CCC[NH2+]C2)c1 ZINC000414835895 428427322 /nfs/dbraw/zinc/42/73/22/428427322.db2.gz IRVPNQUPCNPGER-GFCCVEGCSA-N 2 0 310.825 2.606 20 0 DFADRP C[NH+](C)[C@@H]1CCc2ccccc2[C@@H]1N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000360758271 428427464 /nfs/dbraw/zinc/42/74/64/428427464.db2.gz GCKRYMIMYZFUFM-XEYPJELSSA-N 2 0 313.489 2.821 20 0 DFADRP COc1ccc(NC(=O)C[C@@H](C)[NH2+]CC2([NH3+])CCCCC2)cc1 ZINC000414844699 428429104 /nfs/dbraw/zinc/42/91/04/428429104.db2.gz QDGSWVUFTPZLJJ-CQSZACIVSA-N 2 0 319.449 2.664 20 0 DFADRP Cc1ccc(NC(=O)C[C@H](C)[NH2+]C[C@H]2CCC[NH2+]C2)cc1Cl ZINC000414838511 428430417 /nfs/dbraw/zinc/43/04/17/428430417.db2.gz WYVCYCTXAYOTQN-KBPBESRZSA-N 2 0 323.868 2.955 20 0 DFADRP c1csc(N2CCC([NH2+]CCCC[NH+]3CCCC3)CC2)n1 ZINC000378579815 428430401 /nfs/dbraw/zinc/43/04/01/428430401.db2.gz KFTKSJMWEKFLBI-UHFFFAOYSA-N 2 0 308.495 2.578 20 0 DFADRP C[C@H](c1ccccc1)N1CC[C@H]([NH2+]CC[C@@H]2CCC[NH2+]C2)C1 ZINC000414838067 428431352 /nfs/dbraw/zinc/43/13/52/428431352.db2.gz KSFDHEFAPHOYOF-AOIWGVFYSA-N 2 0 301.478 2.801 20 0 DFADRP CCn1cc(CN2C[C@@H]3C[N@H+](C)[C@H](c4ccccc4)[C@@H]3C2)cn1 ZINC000360776932 428433134 /nfs/dbraw/zinc/43/31/34/428433134.db2.gz ILQIUDOPRVLWRU-IPMKNSEASA-N 2 0 310.445 2.638 20 0 DFADRP Clc1ccc(C[NH+]2CCC(NC[C@H]3CCC[NH2+]3)CC2)cc1 ZINC000414851023 428433215 /nfs/dbraw/zinc/43/32/15/428433215.db2.gz STHBWCKLQNIADJ-QGZVFWFLSA-N 2 0 307.869 2.646 20 0 DFADRP C[C@@H]1CN(Cc2ccccc2)C[C@H]1[NH2+]CCC[C@H]1CCC[NH2+]1 ZINC000414978711 428479975 /nfs/dbraw/zinc/47/99/75/428479975.db2.gz UJICGPVMGLLVMT-BHIYHBOVSA-N 2 0 301.478 2.629 20 0 DFADRP [NH3+]C[C@H]1CCC[N@H+](Cc2c[nH]nc2-c2ccc(Cl)cc2)C1 ZINC000347176751 428482850 /nfs/dbraw/zinc/48/28/50/428482850.db2.gz RCQAGUCUHGKZPJ-GFCCVEGCSA-N 2 0 304.825 2.901 20 0 DFADRP CCOC(=O)CCCCC[N@@H+]1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000393343839 428483987 /nfs/dbraw/zinc/48/39/87/428483987.db2.gz CLZIVMBBMXKPIC-MSOLQXFVSA-N 2 0 318.461 2.784 20 0 DFADRP Cc1[nH+]ccc(N2CCC(C[NH+]3CCOCC3)CC2)c1Cl ZINC000357324291 428484855 /nfs/dbraw/zinc/48/48/55/428484855.db2.gz PHLAKXYXPJPNCJ-UHFFFAOYSA-N 2 0 309.841 2.592 20 0 DFADRP CC(C)(C)CC(=O)N1CCC([NH2+]C[C@@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000414998050 428485593 /nfs/dbraw/zinc/48/55/93/428485593.db2.gz HSKFPUDQBAIPMT-HUUCEWRRSA-N 2 0 309.498 2.521 20 0 DFADRP [NH3+][C@H]1CCC[C@H](C[NH2+]C2CCN(CCc3ccccc3)CC2)C1 ZINC000414999612 428486325 /nfs/dbraw/zinc/48/63/25/428486325.db2.gz JKVUBEKRVCPFJD-OALUTQOASA-N 2 0 315.505 2.801 20 0 DFADRP CC[C@H](C)C[C@H](CC)[NH2+]C[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000414998237 428486429 /nfs/dbraw/zinc/48/64/29/428486429.db2.gz ZFMSBHZMHRCICZ-IHRRRGAJSA-N 2 0 309.420 2.627 20 0 DFADRP COc1ccc(OC(F)F)c(C[NH2+][C@@H](C)CCCC[NH3+])c1 ZINC000415007711 428487698 /nfs/dbraw/zinc/48/76/98/428487698.db2.gz CADKNJGZKFIMOR-NSHDSACASA-N 2 0 302.365 2.904 20 0 DFADRP CCC[C@H]([NH2+]C[C@H](O)CN1C[C@@H](C)O[C@@H](C)C1)c1ccccc1 ZINC000353329999 428487782 /nfs/dbraw/zinc/48/77/82/428487782.db2.gz JBEQHKRFWBCTOO-NBMJBFSESA-N 2 0 320.477 2.588 20 0 DFADRP COc1ccc(C[NH2+]C(C)(C)CCC[NH3+])cc1OC(F)F ZINC000415008383 428488603 /nfs/dbraw/zinc/48/86/03/428488603.db2.gz DVRLEVQPZLBZHD-UHFFFAOYSA-N 2 0 302.365 2.904 20 0 DFADRP COc1ccc([C@@H](C)C[NH+]2CCC([N@H+](C)C[C@H](C)O)CC2)cc1 ZINC000342919312 428489090 /nfs/dbraw/zinc/48/90/90/428489090.db2.gz UCDJGASLHKXKLE-HOTGVXAUSA-N 2 0 320.477 2.576 20 0 DFADRP CSc1cc2c(cc1C[NH2+]C(C)(C)CCC[NH3+])OCCO2 ZINC000415019459 428490175 /nfs/dbraw/zinc/49/01/75/428490175.db2.gz WAGUHXAKTHPMMT-UHFFFAOYSA-N 2 0 310.463 2.787 20 0 DFADRP [NH3+]C[C@@H]1CC[C@H]([NH2+]Cc2ccccc2OCc2cccnc2)C1 ZINC000415029948 428494039 /nfs/dbraw/zinc/49/40/39/428494039.db2.gz FENYKFXETKOOIU-QAPCUYQASA-N 2 0 311.429 2.878 20 0 DFADRP C[C@H](CC(=O)Nc1cccc(Cl)c1)[NH2+][C@@H]1CC[C@@H](C[NH3+])C1 ZINC000415027866 428494081 /nfs/dbraw/zinc/49/40/81/428494081.db2.gz BUMFWNVIJKKCSO-LALPHHSUSA-N 2 0 309.841 2.774 20 0 DFADRP COc1cc(Br)ccc1C[NH2+][C@H]1CC[C@@H](C[NH3+])C1 ZINC000415036014 428494811 /nfs/dbraw/zinc/49/48/11/428494811.db2.gz KZXQWPKITMYUMF-MFKMUULPSA-N 2 0 313.239 2.675 20 0 DFADRP Clc1ccc([C@@H]2CCC[C@H]2[NH2+]C[C@H]2C[NH2+]CCCO2)cc1 ZINC000415037304 428495158 /nfs/dbraw/zinc/49/51/58/428495158.db2.gz KWMZGITXGWYXME-IXDOHACOSA-N 2 0 308.853 2.944 20 0 DFADRP COc1cccc(C[NH+]2CCC([C@@H](C)[NH3+])CC2)c1OC(F)F ZINC000347213265 428495164 /nfs/dbraw/zinc/49/51/64/428495164.db2.gz PJXZBZVBWKMYQE-LLVKDONJSA-N 2 0 314.376 2.856 20 0 DFADRP COc1cc(C[N@@H+]2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)cc(OC)c1 ZINC000415038718 428495355 /nfs/dbraw/zinc/49/53/55/428495355.db2.gz IGGRIXSSSPJPLR-CRAIPNDOSA-N 2 0 304.434 2.668 20 0 DFADRP [NH3+]C[C@@H]1CC[C@H]([NH2+]Cc2c(F)ccc(Br)c2F)C1 ZINC000415038883 428495459 /nfs/dbraw/zinc/49/54/59/428495459.db2.gz NUDXPQLTXHBWRE-BDAKNGLRSA-N 2 0 319.193 2.944 20 0 DFADRP Fc1ccc(C(C[NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)c2ccc(F)cc2)cc1 ZINC000415046479 428498056 /nfs/dbraw/zinc/49/80/56/428498056.db2.gz XIKXLGWOSQVQCX-BWTSREIZSA-N 2 0 314.379 2.904 20 0 DFADRP CCOc1c(Cl)cc(C[NH2+][C@@H]2CC[C@@H](C[NH3+])C2)cc1OC ZINC000415047349 428498930 /nfs/dbraw/zinc/49/89/30/428498930.db2.gz VXJNTWADBSFFJN-DGCLKSJQSA-N 2 0 312.841 2.964 20 0 DFADRP CCc1ccccc1NC(=O)C[C@@H](C)[N@@H+]1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000415053489 428501878 /nfs/dbraw/zinc/50/18/78/428501878.db2.gz KBRZFKWXIVWARJ-SPYBWZPUSA-N 2 0 317.477 2.883 20 0 DFADRP c1cc(N2CCCC2)ncc1C[N@@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000415055014 428502755 /nfs/dbraw/zinc/50/27/55/428502755.db2.gz QOWKQCHZRFVACH-ROUUACIJSA-N 2 0 314.477 2.646 20 0 DFADRP C[C@H](CCC(F)(F)F)[NH2+]C1CCC([NH+]2CCNCC2)CC1 ZINC000415057650 428503643 /nfs/dbraw/zinc/50/36/43/428503643.db2.gz RYDWDKZKWQSWKZ-IYXRBSQSSA-N 2 0 307.404 2.523 20 0 DFADRP COc1ccc(C[C@@H](C)C[N@@H+]2C[C@@H](C)[C@](C)(C[NH3+])C2)cc1F ZINC000415058943 428503678 /nfs/dbraw/zinc/50/36/78/428503678.db2.gz SMIXBRHIUGBSEP-HBUWYVDXSA-N 2 0 308.441 2.930 20 0 DFADRP C[C@H](C[NH2+]C1CCC([NH+]2CCNCC2)CC1)Cc1ccccc1 ZINC000415059612 428504149 /nfs/dbraw/zinc/50/41/49/428504149.db2.gz VCBPNQRCCBOQES-KKXNLOMOSA-N 2 0 315.505 2.671 20 0 DFADRP C[C@@H]1C[N@H+](Cc2cn(C)nc2-c2cccs2)C[C@@]1(C)C[NH3+] ZINC000415057773 428504526 /nfs/dbraw/zinc/50/45/26/428504526.db2.gz UBYPCXPSFASHES-MLGOLLRUSA-N 2 0 304.463 2.565 20 0 DFADRP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](N[C@H](C[NH3+])C2CCCC2)C1 ZINC000415064717 428506611 /nfs/dbraw/zinc/50/66/11/428506611.db2.gz LHENDIDPXOFDLG-ATZDWAIDSA-N 2 0 301.478 2.929 20 0 DFADRP C[C@@H](Cc1ccccc1F)[NH2+]C1CCC([NH+]2CCNCC2)CC1 ZINC000415061889 428507528 /nfs/dbraw/zinc/50/75/28/428507528.db2.gz YZTVZFMBDBXUGQ-ZLPCBKJTSA-N 2 0 319.468 2.563 20 0 DFADRP CC[NH+](CC)C[C@@H]1CCCC[C@H]1NCC(=O)N1CCC[C@@H](C)C1 ZINC000360955823 428507733 /nfs/dbraw/zinc/50/77/33/428507733.db2.gz DGSXFRIDNGQIAD-FGTMMUONSA-N 2 0 323.525 2.735 20 0 DFADRP CC[NH+](CC)C[C@H]1CCCC[C@H]1NCC(=O)Nc1nccs1 ZINC000360955090 428508388 /nfs/dbraw/zinc/50/83/88/428508388.db2.gz AZNHYDDVZFGARG-ZIAGYGMSSA-N 2 0 324.494 2.572 20 0 DFADRP CCOc1ccccc1OCC[N@@H+]1C[C@H](C[NH3+])[C@H](C)C[C@@H]1C ZINC000397396613 428510499 /nfs/dbraw/zinc/51/04/99/428510499.db2.gz PMMIOVYZRPFPHA-PMPSAXMXSA-N 2 0 306.450 2.769 20 0 DFADRP OC1(C[NH2+]C[C@H]2CC=CCC2)CC[NH+](Cc2ccccc2)CC1 ZINC000397492753 428511287 /nfs/dbraw/zinc/51/12/87/428511287.db2.gz BBGRGPIMWMKKLG-SFHVURJKSA-N 2 0 314.473 2.959 20 0 DFADRP C[C@H]1CCC[C@@H]1[NH2+]CC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000397499186 428512556 /nfs/dbraw/zinc/51/25/56/428512556.db2.gz UISMOQIGSUQZJA-WMZOPIPTSA-N 2 0 302.462 2.792 20 0 DFADRP [NH3+]CC1CCC([NH2+][C@H]2CCN(c3ccccc3Cl)C2=O)CC1 ZINC000415075952 428513532 /nfs/dbraw/zinc/51/35/32/428513532.db2.gz BVWPJTAVMMYIMM-PIMMBPRGSA-N 2 0 321.852 2.552 20 0 DFADRP c1nn(-c2ccccc2)cc1CC[NH2+][C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000415078760 428513642 /nfs/dbraw/zinc/51/36/42/428513642.db2.gz GYEZOCOROHDESQ-VAMGGRTRSA-N 2 0 324.472 2.925 20 0 DFADRP COc1ccc(C[NH2+][C@@H]2CCC[NH2+]CC2)c(C(F)(F)F)c1 ZINC000415087143 428514559 /nfs/dbraw/zinc/51/45/59/428514559.db2.gz UBPXUZFTCYRUMU-GFCCVEGCSA-N 2 0 302.340 2.946 20 0 DFADRP [NH3+]CC1CCC([NH2+][C@@H]2CCN(c3c(F)cccc3F)C2)CC1 ZINC000415086206 428514876 /nfs/dbraw/zinc/51/48/76/428514876.db2.gz RLNMLNPKLRRLGZ-JXQTWKCFSA-N 2 0 309.404 2.651 20 0 DFADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000398004332 428515672 /nfs/dbraw/zinc/51/56/72/428515672.db2.gz AJFYXBDPCZNKDT-YSHGAJCASA-N 2 0 301.478 2.757 20 0 DFADRP COCc1cc(C[NH2+][C@@H]2CC[N@H+](C)[C@H]3CCC[C@@H]32)ccc1F ZINC000353386190 428515916 /nfs/dbraw/zinc/51/59/16/428515916.db2.gz LPVFAOHKCFETMI-NXHRZFHOSA-N 2 0 306.425 2.935 20 0 DFADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC[C@H]1CCCC[NH2+]1 ZINC000398038574 428517444 /nfs/dbraw/zinc/51/74/44/428517444.db2.gz QXPBLXHUBOQLRB-BHIYHBOVSA-N 2 0 301.478 2.629 20 0 DFADRP C[C@@H](C(=O)N1CCC([NH+]2CCCCC2)CC1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000343085277 428517643 /nfs/dbraw/zinc/51/76/43/428517643.db2.gz NLLCAPGEWWZCIS-BBWFWOEESA-N 2 0 321.509 2.725 20 0 DFADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1N[C@H]1CCC[NH2+]CC1 ZINC000398054378 428517770 /nfs/dbraw/zinc/51/77/70/428517770.db2.gz YYIRMXPVIHUCGA-NZSAHSFTSA-N 2 0 301.478 2.629 20 0 DFADRP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NCCC[NH2+]C1CC1 ZINC000398063654 428520032 /nfs/dbraw/zinc/52/00/32/428520032.db2.gz XCMANEWGDKNIED-LPHOPBHVSA-N 2 0 301.478 2.629 20 0 DFADRP Fc1ccc(CN2CCC([NH2+][C@@H]3CCC[NH2+]CC3)CC2)cc1F ZINC000415103526 428522212 /nfs/dbraw/zinc/52/22/12/428522212.db2.gz KMNJMIJQCZQMJB-OAHLLOKOSA-N 2 0 323.431 2.661 20 0 DFADRP C[N@H+]1CC=C(C[NH2+]Cc2ccc(C(=O)OC(C)(C)C)cc2)CC1 ZINC000360974272 428523060 /nfs/dbraw/zinc/52/30/60/428523060.db2.gz IETHOTADOWZZHB-UHFFFAOYSA-N 2 0 316.445 2.993 20 0 DFADRP C[C@H]1CCCC[N@@H+]1Cc1ccccc1C[NH2+]C1CC[NH2+]CC1 ZINC000415114303 428524295 /nfs/dbraw/zinc/52/42/95/428524295.db2.gz FTURYPXRQFSQBT-INIZCTEOSA-N 2 0 301.478 2.903 20 0 DFADRP COc1cc(C[NH+]2CCC([C@H]3OCCC[C@@H]3[NH3+])CC2)ccc1C ZINC000415115204 428524711 /nfs/dbraw/zinc/52/47/11/428524711.db2.gz WTPYVEKNQVEKFK-PKOBYXMFSA-N 2 0 318.461 2.722 20 0 DFADRP CC[C@@H]1CCC[C@H](C[N@@H+]2CCC[C@H](n3cc(C[NH3+])nn3)C2)C1 ZINC000415125495 428528337 /nfs/dbraw/zinc/52/83/37/428528337.db2.gz LHDQSIJLROXIFR-VYDXJSESSA-N 2 0 305.470 2.590 20 0 DFADRP COc1ccc(C[NH+]2CCC([C@H]3OCCC[C@H]3[NH3+])CC2)cc1F ZINC000415125897 428530257 /nfs/dbraw/zinc/53/02/57/428530257.db2.gz LNEWNENXZHZQSN-SJLPKXTDSA-N 2 0 322.424 2.553 20 0 DFADRP C[NH+]1CCC(O)(C[NH2+][C@H]2C[C@@H](c3ccccc3)C2(C)C)CC1 ZINC000274256841 273870976 /nfs/dbraw/zinc/87/09/76/273870976.db2.gz JGFHFELEDRWTMB-IRXDYDNUSA-N 2 0 302.462 2.615 20 0 DFADRP CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1NC1CC[NH2+]CC1 ZINC000390654508 428474165 /nfs/dbraw/zinc/47/41/65/428474165.db2.gz OGYMFBNZOWRXEI-SFHVURJKSA-N 2 0 301.478 2.629 20 0 DFADRP COc1ccc(C[NH2+][C@@H]2CC[NH2+]C[C@H]2C)cc1Br ZINC000414965002 428474571 /nfs/dbraw/zinc/47/45/71/428474571.db2.gz VHRLNMIBCJLWOU-ZWNOBZJWSA-N 2 0 313.239 2.545 20 0 DFADRP COc1ccc(C[NH2+][C@H]2CC[NH2+]C[C@@H]2C)cc1OCC(C)C ZINC000414962191 428475186 /nfs/dbraw/zinc/47/51/86/428475186.db2.gz SEAUEPSKAHSONO-HOCLYGCPSA-N 2 0 306.450 2.818 20 0 DFADRP CC(C)(C)C(=O)N1CCC([NH2+][C@@H]2C[C@@H]([NH3+])c3ccccc32)CC1 ZINC000391143349 428478241 /nfs/dbraw/zinc/47/82/41/428478241.db2.gz SKOWZNSHJUXJQN-IAGOWNOFSA-N 2 0 315.461 2.758 20 0 DFADRP CC(C)N1CCc2nc(C[NH2+]CCC[C@@H]3CCC[NH2+]3)sc2C1 ZINC000414969756 428479081 /nfs/dbraw/zinc/47/90/81/428479081.db2.gz JKQBRAMJOSJEEY-CQSZACIVSA-N 2 0 322.522 2.531 20 0 DFADRP COc1ccc(C[NH2+]CCC[C@H]2CCC[NH2+]2)cc1OC(F)F ZINC000414971540 428479100 /nfs/dbraw/zinc/47/91/00/428479100.db2.gz LNYDVRIAQIEKMA-ZDUSSCGKSA-N 2 0 314.376 2.918 20 0 DFADRP CN(CCC[N@H+](C)C[C@@H](O)CC1CCCC1)Cc1ccco1 ZINC000353543980 428585577 /nfs/dbraw/zinc/58/55/77/428585577.db2.gz ORKGHUKLLJOFLF-KRWDZBQOSA-N 2 0 308.466 2.975 20 0 DFADRP C[NH+](C)CCOC1CC[NH+](C[C@H]2C[C@@H]2c2ccccc2)CC1 ZINC000353545393 428587688 /nfs/dbraw/zinc/58/76/88/428587688.db2.gz DDQSNOUARKHTKK-IEBWSBKVSA-N 2 0 302.462 2.833 20 0 DFADRP CC[C@H]([NH2+]C[C@@H](C)N1CCCC[C@H]1C)C1(C(=O)OC)CCC1 ZINC000353547055 428588300 /nfs/dbraw/zinc/58/83/00/428588300.db2.gz YCIOFVVFLUSBBB-OAGGEKHMSA-N 2 0 310.482 2.961 20 0 DFADRP CC[C@@H]([NH2+]CCN1CCCC[C@@H]1CC)C1(C(=O)OC)CCC1 ZINC000353553329 428589998 /nfs/dbraw/zinc/58/99/98/428589998.db2.gz RKFLPUWYEGIOKM-JKSUJKDBSA-N 2 0 310.482 2.962 20 0 DFADRP CC(C)[C@@H]([NH2+]CCCN1CCC[N@H+](C)CC1)c1ccc(F)cn1 ZINC000353552085 428590875 /nfs/dbraw/zinc/59/08/75/428590875.db2.gz MVNVMVRAORIHHB-GOSISDBHSA-N 2 0 322.472 2.535 20 0 DFADRP c1c2ccccc2oc1C[N@@H+]1CC2(CC[NH2+]CC2)[C@@H]2COC[C@@H]21 ZINC000415131936 428533032 /nfs/dbraw/zinc/53/30/32/428533032.db2.gz KHVSQGGQYQOVBO-SJORKVTESA-N 2 0 312.413 2.633 20 0 DFADRP C[C@@H]1CC[N@H+](Cc2cn(C)nc2-c2cccs2)C[C@@H]1C[NH3+] ZINC000415136603 428535044 /nfs/dbraw/zinc/53/50/44/428535044.db2.gz XKDUNGMIFHTSJA-OLZOCXBDSA-N 2 0 304.463 2.565 20 0 DFADRP Cc1ccc(C[N@H+]2CC[C@@H](C)[C@H](C[NH3+])C2)c(-c2cnn(C)c2)c1 ZINC000415136691 428535132 /nfs/dbraw/zinc/53/51/32/428535132.db2.gz XOKDXIMLMLJIDM-NVXWUHKLSA-N 2 0 312.461 2.812 20 0 DFADRP C[C@@H](Cc1ccc(C(C)(C)C)cc1)C[NH+]1CCC(O)(C[NH3+])CC1 ZINC000415142221 428538015 /nfs/dbraw/zinc/53/80/15/428538015.db2.gz PLZIQERRUAEKHS-INIZCTEOSA-N 2 0 318.505 2.948 20 0 DFADRP CCC[NH+]1CCC(N(C)Cc2cc(C(=O)OCC)co2)CC1 ZINC000353449520 428539943 /nfs/dbraw/zinc/53/99/43/428539943.db2.gz NHFXYMZMTRVGQD-UHFFFAOYSA-N 2 0 308.422 2.763 20 0 DFADRP c1cncc(CN2CCC[C@@H](C[NH2+]C[C@@H]3CCSC3)C2)c1 ZINC000373300322 428541448 /nfs/dbraw/zinc/54/14/48/428541448.db2.gz AVFUEQPAGGQQLV-IRXDYDNUSA-N 2 0 305.491 2.636 20 0 DFADRP C[N@@H+]1CCCC[C@@H]1CC[NH+]1C[C@@H](CO)[C@@H](c2ccsc2)C1 ZINC000347315597 428541807 /nfs/dbraw/zinc/54/18/07/428541807.db2.gz QDEVFZWRDMJIJH-GVDBMIGSSA-N 2 0 308.491 2.630 20 0 DFADRP CC[N@@H+]1CC[C@H]([NH2+][C@@H]2CCc3nc(C(C)(C)C)cn3C2)[C@@H](C)C1 ZINC000347318257 428542776 /nfs/dbraw/zinc/54/27/76/428542776.db2.gz NALHQSDRFPTEQM-XHSDSOJGSA-N 2 0 318.509 2.815 20 0 DFADRP C[C@@](O)(C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)C1CC1 ZINC000347316786 428543686 /nfs/dbraw/zinc/54/36/86/428543686.db2.gz MFRZZNZQDSDZRE-RAFMOHDBSA-N 2 0 314.473 2.933 20 0 DFADRP C[C@H](N[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)[C@H]1CCC[NH2+]1 ZINC000400479000 428545606 /nfs/dbraw/zinc/54/56/06/428545606.db2.gz VSEHOTSKVPOMNP-UKBAYJJMSA-N 2 0 301.478 2.770 20 0 DFADRP C[C@@H]([NH2+]C[C@H](C)C[NH+]1CCCC1)c1ccccc1-n1ccnn1 ZINC000353456324 428545572 /nfs/dbraw/zinc/54/55/72/428545572.db2.gz VIXWVUUJFQCUMN-JKSUJKDBSA-N 2 0 313.449 2.650 20 0 DFADRP C[C@H](NC[C@@]1(C)CCC[N@@H+]1Cc1ccccc1)[C@@H]1CCC[NH2+]1 ZINC000400811614 428547929 /nfs/dbraw/zinc/54/79/29/428547929.db2.gz YNKPJQDKDIJFAV-YTQUADARSA-N 2 0 301.478 2.771 20 0 DFADRP C[C@H]([NH2+]C[C@H]1CCCCN1Cc1ccccc1)[C@H]1CC[NH2+]C1 ZINC000400757440 428548732 /nfs/dbraw/zinc/54/87/32/428548732.db2.gz XIIYKCRLCURUST-YTQUADARSA-N 2 0 301.478 2.629 20 0 DFADRP CC[C@H]1[NH2+]CC[C@H]1C(=O)NCc1ccc(C[NH+](CC)CC)cc1 ZINC000353462063 428549107 /nfs/dbraw/zinc/54/91/07/428549107.db2.gz BUTDHUIABIOXBU-QZTJIDSGSA-N 2 0 317.477 2.533 20 0 DFADRP CC(=O)Nc1cccc([C@H](C)[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)c1 ZINC000400990072 428550228 /nfs/dbraw/zinc/55/02/28/428550228.db2.gz XRNJVXGYCLKJGS-BWUSGFMJSA-N 2 0 301.434 2.684 20 0 DFADRP CSC(C)(C)C[NH2+][C@@H]1CC[N@H+](C[C@H]2CCCO2)C[C@H]1C ZINC000361240718 428550740 /nfs/dbraw/zinc/55/07/40/428550740.db2.gz QNRWSIHZMYYKSZ-RBSFLKMASA-N 2 0 300.512 2.607 20 0 DFADRP Brc1ccsc1C[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000401033262 428550818 /nfs/dbraw/zinc/55/08/18/428550818.db2.gz XWDYNFKOTALQDH-HBNTYKKESA-N 2 0 315.280 2.988 20 0 DFADRP Brc1cccc(C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)c1 ZINC000401037787 428550858 /nfs/dbraw/zinc/55/08/58/428550858.db2.gz NRVPEPBMXPRCTH-UMVBOHGHSA-N 2 0 309.251 2.927 20 0 DFADRP C[C@H](CC[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)[N@H+](C)Cc1ccccc1 ZINC000401004066 428551322 /nfs/dbraw/zinc/55/13/22/428551322.db2.gz ASJKKUQBLBUIDO-RSPOEFSDSA-N 2 0 315.505 2.875 20 0 DFADRP C[C@H](CCOCc1ccccc1)[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000401005519 428552106 /nfs/dbraw/zinc/55/21/06/428552106.db2.gz OZCSELZSVFNMJW-XGXHKWSGSA-N 2 0 302.462 2.960 20 0 DFADRP Cc1cncc(CC[NH2+][C@@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)n1 ZINC000402708801 428560078 /nfs/dbraw/zinc/56/00/78/428560078.db2.gz RJMJHNKAOUZYTJ-PKOBYXMFSA-N 2 0 324.472 2.828 20 0 DFADRP Cc1cncc(CC[NH2+][C@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)n1 ZINC000402708799 428560479 /nfs/dbraw/zinc/56/04/79/428560479.db2.gz RJMJHNKAOUZYTJ-IEBWSBKVSA-N 2 0 324.472 2.828 20 0 DFADRP C[C@H]1CCC[N@H+](CCC(=O)Nc2cccc(F)c2)[C@H]1CC[NH3+] ZINC000404311287 428566302 /nfs/dbraw/zinc/56/63/02/428566302.db2.gz WPLXBCUCUYVLEB-BBRMVZONSA-N 2 0 307.413 2.604 20 0 DFADRP C[C@H](c1ccccc1)N(C)C(=O)C[N@@H+]1CCC[C@@H](C)[C@H]1CC[NH3+] ZINC000404333150 428567195 /nfs/dbraw/zinc/56/71/95/428567195.db2.gz ZVVSJEOGYMZEEX-JFIYKMOQSA-N 2 0 317.477 2.655 20 0 DFADRP OC[C@H](C[NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]12)C1CC1 ZINC000353509009 428571186 /nfs/dbraw/zinc/57/11/86/428571186.db2.gz IICYVWGMVHHIJI-IYWMVGAKSA-N 2 0 314.473 2.505 20 0 DFADRP CCC[N@H+](CC)CCNc1cc(CC)nc(-c2ccncc2)n1 ZINC000353516079 428572139 /nfs/dbraw/zinc/57/21/39/428572139.db2.gz MRTKAQKTIKKQTC-UHFFFAOYSA-N 2 0 313.449 2.667 20 0 DFADRP O=C(Nc1ccc(C[NH+]2CCCC2)cc1)[C@H]1CC[C@@H](C2CC2)[NH2+]1 ZINC000407304150 428580178 /nfs/dbraw/zinc/58/01/78/428580178.db2.gz DGMXNKSIRQMEKL-ZWKOTPCHSA-N 2 0 313.445 2.752 20 0 DFADRP CN(C)C(=[NH2+])NC[C@H]1CCC[N@H+](C)[C@@H]1c1cccc(Cl)c1 ZINC000361802352 428598611 /nfs/dbraw/zinc/59/86/11/428598611.db2.gz BEZBPSXQGIMLEC-UKRRQHHQSA-N 2 0 308.857 2.809 20 0 DFADRP CC(C)[N@@H+](C)C[C@@H](C)N[C@H]1C[NH+](Cc2ccccc2)C[C@@H]1C ZINC000353568726 428599698 /nfs/dbraw/zinc/59/96/98/428599698.db2.gz BJGFUZSIXBIKMA-SCTDSRPQSA-N 2 0 303.494 2.825 20 0 DFADRP CCC1(C[NH2+]CCCC[NH+]2C[C@H](C)O[C@@H](C)C2)CCOCC1 ZINC000358482814 428604764 /nfs/dbraw/zinc/60/47/64/428604764.db2.gz LCTBYPGKPVOIHP-IRXDYDNUSA-N 2 0 312.498 2.672 20 0 DFADRP CCC[N@H+](C)CC(=O)NC[C@H](c1ccc(C)cc1)[NH+]1CCCC1 ZINC000358590918 428608343 /nfs/dbraw/zinc/60/83/43/428608343.db2.gz MPDYHYMVCFXIBV-GOSISDBHSA-N 2 0 317.477 2.590 20 0 DFADRP c1cc(CCC[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)cc2c1OCC2 ZINC000373603310 428617868 /nfs/dbraw/zinc/61/78/68/428617868.db2.gz IUVMYYYWWNXFRJ-MSOLQXFVSA-N 2 0 300.446 2.771 20 0 DFADRP C[NH2+]Cc1ccccc1NC(=O)NCCC[NH+]1CCCCCC1 ZINC000415897814 428619548 /nfs/dbraw/zinc/61/95/48/428619548.db2.gz GMEYJQIUBUJRHV-UHFFFAOYSA-N 2 0 318.465 2.794 20 0 DFADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@]2(C)OCCc3sccc32)[C@@H](C)C1 ZINC000353608196 428621211 /nfs/dbraw/zinc/62/12/11/428621211.db2.gz HTUINUCRAFIOLQ-QRTARXTBSA-N 2 0 308.491 2.856 20 0 DFADRP CC[NH2+]Cc1cccc(NC(=O)N[C@H]2C[N@@H+](C(C)C)C[C@@H]2C)c1 ZINC000415908494 428622144 /nfs/dbraw/zinc/62/21/44/428622144.db2.gz PQXDELFCXQDRMX-YOEHRIQHSA-N 2 0 318.465 2.646 20 0 DFADRP CC(C)C[N@@H+]1CCC[C@H](CN[C@@H]2CC[NH+](C)[C@H]3CCC[C@H]32)C1 ZINC000353617566 428622168 /nfs/dbraw/zinc/62/21/68/428622168.db2.gz DJQLTAUHOVRZMF-HCXYKTFWSA-N 2 0 307.526 2.817 20 0 DFADRP C[NH2+]Cc1ccccc1NC(=O)N[C@@H](C)C[N@@H+]1CCC[C@@H](C)C1 ZINC000415903912 428622355 /nfs/dbraw/zinc/62/23/55/428622355.db2.gz RCASIHFFWXOSAN-CABCVRRESA-N 2 0 318.465 2.648 20 0 DFADRP C[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+][C@H]2CCc3nc[nH]c3C2)CC1 ZINC000353614481 428622360 /nfs/dbraw/zinc/62/23/60/428622360.db2.gz XLXUPGOFNAIDFU-ALKREAHSSA-N 2 0 316.493 2.900 20 0 DFADRP C[NH2+]Cc1ccccc1NC(=O)N[C@H](C)C[N@@H+]1CCC[C@@H](C)C1 ZINC000415903918 428622464 /nfs/dbraw/zinc/62/24/64/428622464.db2.gz RCASIHFFWXOSAN-HUUCEWRRSA-N 2 0 318.465 2.648 20 0 DFADRP C[NH2+]Cc1ccccc1NC(=O)NC[C@@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC000415902972 428623033 /nfs/dbraw/zinc/62/30/33/428623033.db2.gz PTTFPOLRMUWHNY-LSDHHAIUSA-N 2 0 318.465 2.648 20 0 DFADRP C[NH2+]Cc1ccccc1NC(=O)NCC[N@@H+]1CCCC(C)(C)C1 ZINC000415916235 428625119 /nfs/dbraw/zinc/62/51/19/428625119.db2.gz AVMHYGVSKVVICX-UHFFFAOYSA-N 2 0 318.465 2.650 20 0 DFADRP CC[NH2+]Cc1cccc(NC(=O)N[C@H](C)C2=CC[N@H+](C)CC2)c1 ZINC000415925264 428627895 /nfs/dbraw/zinc/62/78/95/428627895.db2.gz XJRIMGCPDIGJJN-CQSZACIVSA-N 2 0 316.449 2.568 20 0 DFADRP CO[C@@H]1[C@H](C)[C@H]([NH2+]CC2(SC)CC[NH+](C)CC2)C12CCC2 ZINC000353627561 428628048 /nfs/dbraw/zinc/62/80/48/428628048.db2.gz LELCFFWLJAMJOY-QLFBSQMISA-N 2 0 312.523 2.607 20 0 DFADRP CC(C)C[N@@H+]1CCC[C@H](C[NH2+][C@@H]2[C@@H]3CCO[C@H]3C23CCC3)C1 ZINC000344302009 428629154 /nfs/dbraw/zinc/62/91/54/428629154.db2.gz VKJGFHHWQLKSBM-XMTFNYHQSA-N 2 0 306.494 2.902 20 0 DFADRP CCC[N@H+](C)C[C@H]1CCN(C(=O)Nc2cccc(C[NH2+]C)c2)C1 ZINC000415943415 428633544 /nfs/dbraw/zinc/63/35/44/428633544.db2.gz LWRUNRROOLUUBK-MRXNPFEDSA-N 2 0 318.465 2.602 20 0 DFADRP CCC[N@H+](CC)C[C@H](C)NC(=O)Nc1cccc(C[NH2+]C)c1 ZINC000415939039 428633759 /nfs/dbraw/zinc/63/37/59/428633759.db2.gz ZRZOEGAJLNWHSV-AWEZNQCLSA-N 2 0 306.454 2.648 20 0 DFADRP COCCC[NH+]1CCC([NH2+][C@@H]2CCCc3ccc(O)cc32)CC1 ZINC000291337592 274019718 /nfs/dbraw/zinc/01/97/18/274019718.db2.gz WDTSGSMLMKUGDS-LJQANCHMSA-N 2 0 318.461 2.860 20 0 DFADRP C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)CC2CC[NH+](C)CC2)C1 ZINC000347521245 428595580 /nfs/dbraw/zinc/59/55/80/428595580.db2.gz LGTBGLYIHVEYLQ-IAGOWNOFSA-N 2 0 323.525 2.593 20 0 DFADRP CCCC[NH+]1CCC(NC(=O)Nc2ccc(C[NH2+]C)cc2)CC1 ZINC000415977742 428639268 /nfs/dbraw/zinc/63/92/68/428639268.db2.gz YLFDBFMQDPGOKG-UHFFFAOYSA-N 2 0 318.465 2.792 20 0 DFADRP C[C@@H]1C[N@H+](C)CC[C@@H]1N[C@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000358722944 428640921 /nfs/dbraw/zinc/64/09/21/428640921.db2.gz LKWZEJBIGSLATK-JYBIWHBTSA-N 2 0 315.505 2.969 20 0 DFADRP [NH3+]Cc1ccc(NC(=O)N[C@@H]2CC[N@H+](CC3CCCC3)C2)cc1 ZINC000415983474 428641532 /nfs/dbraw/zinc/64/15/32/428641532.db2.gz ZNBFHLKOYIAGPF-QGZVFWFLSA-N 2 0 316.449 2.531 20 0 DFADRP CCCN(CC[NH+](CC)CC)C(=O)Nc1ccc2c(c1)C[NH2+]C2 ZINC000415984964 428642689 /nfs/dbraw/zinc/64/26/89/428642689.db2.gz ACFGCVOEOWZFJW-UHFFFAOYSA-N 2 0 318.465 2.876 20 0 DFADRP C[N@H+](Cc1ccccc1)C1CCC([NH2+]CCN2CCC2)CC1 ZINC000353646692 428635472 /nfs/dbraw/zinc/63/54/72/428635472.db2.gz QRGBWDJHLQDZHY-UHFFFAOYSA-N 2 0 301.478 2.725 20 0 DFADRP CCOC(=O)c1coc(CN2CC[C@@H](C[N@H+](C)CC3CC3)C2)c1 ZINC000353644616 428636408 /nfs/dbraw/zinc/63/64/08/428636408.db2.gz AIJQUJHAVCYYMF-HNNXBMFYSA-N 2 0 320.433 2.620 20 0 DFADRP COc1cc2c(cc1OC)[C@H]([NH2+][C@H]1CC[N@@H+]3CCC[C@H]3C1)CC2 ZINC000373564305 274102742 /nfs/dbraw/zinc/10/27/42/274102742.db2.gz XZFPVLIBLSPEES-YQQAZPJKSA-N 2 0 316.445 2.908 20 0 DFADRP CCc1cccc(C[N@@H+]2CC[C@@H](N3CC[NH+](C(C)C)CC3)C2)c1 ZINC000373739276 428645107 /nfs/dbraw/zinc/64/51/07/428645107.db2.gz VZRYXIOPNQGETG-HXUWFJFHSA-N 2 0 315.505 2.849 20 0 DFADRP C[C@H]([NH2+][C@@H]1CCn2ccnc2C1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000348184472 428645507 /nfs/dbraw/zinc/64/55/07/428645507.db2.gz GSGRSMYEERAZHC-YTQUADARSA-N 2 0 324.472 2.698 20 0 DFADRP C[NH2+]Cc1ccc(NC(=O)N[C@H](C)C[NH+]2CCCCCC2)cc1 ZINC000416005563 428646706 /nfs/dbraw/zinc/64/67/06/428646706.db2.gz IRSXATRGYXFLBE-OAHLLOKOSA-N 2 0 318.465 2.792 20 0 DFADRP C[C@@H]1CN(Cc2ccccc2)C[C@H]1[NH2+]C1CCC([NH+](C)C)CC1 ZINC000353670612 428649166 /nfs/dbraw/zinc/64/91/66/428649166.db2.gz IDEQKPQOSCFDID-SGZDXZSOSA-N 2 0 315.505 2.969 20 0 DFADRP CSC1(C[NH2+][C@H]2CCc3ccccc3OC2)CC[NH+](C)CC1 ZINC000353617262 274174761 /nfs/dbraw/zinc/17/47/61/274174761.db2.gz CYYYTICTFLMLQW-INIZCTEOSA-N 2 0 320.502 2.797 20 0 DFADRP CC(C)[NH+]1CCC([NH2+]C[C@@H](CO)c2ccccc2Cl)CC1 ZINC000348208315 428658544 /nfs/dbraw/zinc/65/85/44/428658544.db2.gz STXAJCSUVGXUEU-AWEZNQCLSA-N 2 0 310.869 2.878 20 0 DFADRP CC[N@@H+]1CC[C@H]([NH+](C)CCc2ccc3c(c2)CCO3)C[C@@H]1C ZINC000362184366 428652706 /nfs/dbraw/zinc/65/27/06/428652706.db2.gz IGTGUKRAZQTNOG-YJBOKZPZSA-N 2 0 302.462 2.969 20 0 DFADRP CC(C)[N@H+](C)CC(=O)N(C)C1CC[NH+](C2CCC(C)CC2)CC1 ZINC000373998263 428660728 /nfs/dbraw/zinc/66/07/28/428660728.db2.gz LPOXTSXSMXGISM-UHFFFAOYSA-N 2 0 323.525 2.828 20 0 DFADRP CO[C@]1(C)CCC[N@H+](C/C=C/C[NH+]2CCC[C@](C)(OC)C2)C1 ZINC000348235606 428671249 /nfs/dbraw/zinc/67/12/49/428671249.db2.gz MDCGKDCUNDDIEV-FBLDJFESSA-N 2 0 310.482 2.544 20 0 DFADRP COCCC[NH+]1CCC([NH2+]C[C@@H]2C[C@H]2c2ccccc2)CC1 ZINC000348239505 428675250 /nfs/dbraw/zinc/67/52/50/428675250.db2.gz GLCHDZVARFCFNX-HKUYNNGSSA-N 2 0 302.462 2.881 20 0 DFADRP C[C@@H]1C[C@@H](N(C)Cc2cnc([C@H]3CCCO3)s2)CC[N@@H+]1C ZINC000353756581 428699743 /nfs/dbraw/zinc/69/97/43/428699743.db2.gz WDZXKVSIAGZQRH-VNHYZAJKSA-N 2 0 309.479 2.909 20 0 DFADRP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccc(NC(C)=O)cc2)C[C@H]1C ZINC000353754809 428700281 /nfs/dbraw/zinc/70/02/81/428700281.db2.gz QLOMBENTYNAOQK-KDOFPFPSSA-N 2 0 303.450 2.950 20 0 DFADRP C[C@@H]1C[C@H]([NH2+]C[C@]2(C)CCOC2)CN(Cc2ccccc2)C1 ZINC000344751052 428700519 /nfs/dbraw/zinc/70/05/19/428700519.db2.gz PIXPPSWJFNYFAY-NEWSRXKRSA-N 2 0 302.462 2.913 20 0 DFADRP COc1ccc2nc(C[NH2+]CC3CC[NH+](C)CC3)sc2c1 ZINC000353761768 428702498 /nfs/dbraw/zinc/70/24/98/428702498.db2.gz URKNXEIDBOWQNE-UHFFFAOYSA-N 2 0 305.447 2.736 20 0 DFADRP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)NCCC[NH+](C)C1CCCCC1 ZINC000344805174 428708208 /nfs/dbraw/zinc/70/82/08/428708208.db2.gz DKQSDAIRQBOWSJ-IYBDPMFKSA-N 2 0 309.498 2.630 20 0 DFADRP Cc1cc(F)ccc1C[N@@H+]1CCN(C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000374597119 428708558 /nfs/dbraw/zinc/70/85/58/428708558.db2.gz RUKSAZAMPDYYFK-INIZCTEOSA-N 2 0 319.468 2.734 20 0 DFADRP COCCc1nc(C)c([C@H](C)N[C@H]2CC[N@@H+]3CCC[C@H]3C2)s1 ZINC000362343963 428711552 /nfs/dbraw/zinc/71/15/52/428711552.db2.gz XFCXPTFHPUJMNS-QEJZJMRPSA-N 2 0 323.506 2.918 20 0 DFADRP CC(C)[C@H](c1nc(-c2ccc(C[NH+](C)C)cc2)no1)[C@H](C)[NH3+] ZINC000416398794 428731139 /nfs/dbraw/zinc/73/11/39/428731139.db2.gz FUFDNJGIUUDZQI-WFASDCNBSA-N 2 0 302.422 2.885 20 0 DFADRP CC[N@H+](Cc1ccc(C(=O)NCCCC[NH+](C)C)cc1)C1CC1 ZINC000353820156 428732578 /nfs/dbraw/zinc/73/25/78/428732578.db2.gz YCBLTGPRWLDFLJ-UHFFFAOYSA-N 2 0 317.477 2.743 20 0 DFADRP OC[C@@H]1CCC[N@@H+]1CCCC[NH2+]C[C@H]1C[C@@H]1c1ccccc1 ZINC000348263570 428684730 /nfs/dbraw/zinc/68/47/30/428684730.db2.gz LSARHOULRKMHSQ-CEXWTWQISA-N 2 0 302.462 2.617 20 0 DFADRP OC[C@@H]1CCC[N@@H+]1CCCC[NH2+]C[C@@H]1C[C@@H]1c1ccccc1 ZINC000348263572 428685280 /nfs/dbraw/zinc/68/52/80/428685280.db2.gz LSARHOULRKMHSQ-GBESFXJTSA-N 2 0 302.462 2.617 20 0 DFADRP C[NH+](C)Cc1ccc(C(=O)NC[C@@H]2[N@H+](C)CCCC2(C)C)cc1 ZINC000344643688 428688712 /nfs/dbraw/zinc/68/87/12/428688712.db2.gz NBAOJGVWLPEKEM-KRWDZBQOSA-N 2 0 317.477 2.598 20 0 DFADRP CC(C)[N@@H+]1CCC[C@@H](NC(=O)C[C@H](c2ccccc2)[NH+](C)C)C1 ZINC000416201492 428690315 /nfs/dbraw/zinc/69/03/15/428690315.db2.gz GEPORBPTIOULJP-QZTJIDSGSA-N 2 0 317.477 2.668 20 0 DFADRP CCCC[N@H+](C)C[C@H](C)NC(=O)C[C@H](c1ccccc1)[NH+](C)C ZINC000416233977 428694824 /nfs/dbraw/zinc/69/48/24/428694824.db2.gz LJFYASYQIVXQMW-FUHWJXTLSA-N 2 0 319.493 2.916 20 0 DFADRP C[N@@H+]1CCCC[C@H]1CCC(=O)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000353899968 428770727 /nfs/dbraw/zinc/77/07/27/428770727.db2.gz IJNCDKYYLJNEKG-ROUUACIJSA-N 2 0 321.509 2.728 20 0 DFADRP CCOC(=O)C1(C)CCC([NH2+]CCN2CCCC[C@@H]2C)CC1 ZINC000353925763 428779128 /nfs/dbraw/zinc/77/91/28/428779128.db2.gz FSBWWWXTOOGRCC-HJOIGYKYSA-N 2 0 310.482 2.962 20 0 DFADRP CCN(CC)c1ncc(CN2CC[C@@H]3CC[N@H+](C)C[C@@H]32)s1 ZINC000374902819 428779851 /nfs/dbraw/zinc/77/98/51/428779851.db2.gz PAMONAJZWQMOSZ-ZFWWWQNUSA-N 2 0 308.495 2.515 20 0 DFADRP CC(C)[N@@H+]1CCc2nc(CN(C)C[C@H]3CCC[C@@H]3O)sc2C1 ZINC000374907214 428780181 /nfs/dbraw/zinc/78/01/81/428780181.db2.gz DTYZUQNSPXLAJZ-HIFRSBDPSA-N 2 0 323.506 2.502 20 0 DFADRP CC(C)[N@@H+]1CCc2nc(CN(C)C[C@@H]3CCC[C@@H]3O)sc2C1 ZINC000374907216 428780860 /nfs/dbraw/zinc/78/08/60/428780860.db2.gz DTYZUQNSPXLAJZ-ZFWWWQNUSA-N 2 0 323.506 2.502 20 0 DFADRP C[C@H](CC[NH+]1CCO[C@@H](C)[C@H]1C)CC[N@@H+]1CCO[C@H](C)[C@@H]1C ZINC000411322419 428780887 /nfs/dbraw/zinc/78/08/87/428780887.db2.gz INSWEJFGVGYVOK-AJNQNCSDSA-N 2 0 312.498 2.621 20 0 DFADRP COc1cc([C@@H](C)[NH2+]CCC[N@@H+]2CCCO[C@@H](C)C2)ccc1F ZINC000348424114 428740472 /nfs/dbraw/zinc/74/04/72/428740472.db2.gz QFAZKBFMSQEOMV-LSDHHAIUSA-N 2 0 324.440 2.986 20 0 DFADRP C[C@H](CC[NH+]1C[C@H](C)O[C@@H](C)C1)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000411127033 428742450 /nfs/dbraw/zinc/74/24/50/428742450.db2.gz PGQHSZITKJQJJM-JCECYMMASA-N 2 0 312.498 2.621 20 0 DFADRP C[C@H]([NH2+]C[C@H](CO)C1CC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000353846286 428744394 /nfs/dbraw/zinc/74/43/94/428744394.db2.gz ABIMMCQKHKTMJJ-KFKAGJAMSA-N 2 0 302.462 2.505 20 0 DFADRP CC[C@H](C(=O)N[C@H](C)[C@@H](c1ccccc1)[NH+](C)C)[NH+](CC)CC ZINC000348451760 428747277 /nfs/dbraw/zinc/74/72/77/428747277.db2.gz FSAAUGUTZIDGLJ-NXHRZFHOSA-N 2 0 319.493 2.914 20 0 DFADRP CC[C@H]1C[NH+](CCC(C)CC[N@@H+]2CCO[C@@H](CC)C2)CCO1 ZINC000411162161 428751267 /nfs/dbraw/zinc/75/12/67/428751267.db2.gz GKKWYWYECUNNTF-ROUUACIJSA-N 2 0 312.498 2.624 20 0 DFADRP CC(C)[NH+](CCNC(=O)NCc1ccc([C@@H](C)[NH3+])cc1)C(C)C ZINC000416805118 428799722 /nfs/dbraw/zinc/79/97/22/428799722.db2.gz KLGCHUDRNWAPEV-OAHLLOKOSA-N 2 0 320.481 2.624 20 0 DFADRP CC[NH+]1CCC(NC(=O)C[NH2+][C@H](C)c2cc(C)cc(C)c2)CC1 ZINC000411458994 428802536 /nfs/dbraw/zinc/80/25/36/428802536.db2.gz FUXYENFWZNZQOU-MRXNPFEDSA-N 2 0 317.477 2.555 20 0 DFADRP C[C@H](CNC(=O)c1ccccc1C[NH+](C)C)[NH+]1CCC(C)CC1 ZINC000362732039 428803792 /nfs/dbraw/zinc/80/37/92/428803792.db2.gz CHFLWOVXURZKEO-MRXNPFEDSA-N 2 0 317.477 2.598 20 0 DFADRP Cc1cc2[nH]c(C[NH2+]CCCC[NH+]3CCOCC3)cc2c(C)c1 ZINC000359078206 428806207 /nfs/dbraw/zinc/80/62/07/428806207.db2.gz IVETXFIGGXLKQX-UHFFFAOYSA-N 2 0 315.461 2.987 20 0 DFADRP C[C@@H](C[S@](C)=O)[N@H+](C)Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000411510692 428807749 /nfs/dbraw/zinc/80/77/49/428807749.db2.gz GYSNMSQBHIFNFW-AOMKIAJQSA-N 2 0 322.518 2.871 20 0 DFADRP Cc1nc2c(n1[C@H]1CC[N@H+](CCC3(O)CCC3)C1)CCCC2 ZINC000411578554 428818646 /nfs/dbraw/zinc/81/86/46/428818646.db2.gz SMAKMGQSBNBLBB-HNNXBMFYSA-N 2 0 303.450 2.622 20 0 DFADRP CC[N@H+](CC(=O)NC1CC[NH+](C(C)C)CC1)[C@H]1CCCC[C@H]1C ZINC000411619485 428824419 /nfs/dbraw/zinc/82/44/19/428824419.db2.gz XKMFJZRAGXTVOQ-AEFFLSMTSA-N 2 0 323.525 2.876 20 0 DFADRP CCC[N@H+](CC)Cc1ccc(C(=O)NCc2c[nH]cn2)cc1 ZINC000359137261 428833699 /nfs/dbraw/zinc/83/36/99/428833699.db2.gz HMSBOCOFWZSCKX-UHFFFAOYSA-N 2 0 300.406 2.572 20 0 DFADRP c1nn(-c2ccccc2)cc1C[N@@H+]1CC[C@@H](Oc2ccncc2)C1 ZINC000354035610 428833741 /nfs/dbraw/zinc/83/37/41/428833741.db2.gz ZTCHGOOYJJBTEL-LJQANCHMSA-N 2 0 320.396 2.921 20 0 DFADRP CC[N@H+](CCOCCO)Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000411685822 428842034 /nfs/dbraw/zinc/84/20/34/428842034.db2.gz BQKJNVMUFAYHDK-UHFFFAOYSA-N 2 0 320.477 2.503 20 0 DFADRP CC[N@H+](CCOCCO)Cc1cccc(C[NH+]2CCCCC2)c1 ZINC000411700477 428843535 /nfs/dbraw/zinc/84/35/35/428843535.db2.gz ZVENCIYRMDVFHV-UHFFFAOYSA-N 2 0 320.477 2.503 20 0 DFADRP C[C@@H]([NH3+])[C@@H]1CCCCN1C(=O)NCCC[N@H+](C)C1CCCCC1 ZINC000417044287 428844454 /nfs/dbraw/zinc/84/44/54/428844454.db2.gz XVNTVTIMXIUZDZ-WBVHZDCISA-N 2 0 324.513 2.552 20 0 DFADRP C[C@@H]([NH2+]CCCN1CCN(c2cc[nH+]cc2)CC1)C1CCCC1 ZINC000354198057 428909815 /nfs/dbraw/zinc/90/98/15/428909815.db2.gz CTIGQMBSJRGYOV-QGZVFWFLSA-N 2 0 316.493 2.762 20 0 DFADRP O[C@@]1(C(F)F)CC[N@H+](Cc2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC000411786645 428858429 /nfs/dbraw/zinc/85/84/29/428858429.db2.gz DBWRRORHENQWQX-SFHVURJKSA-N 2 0 324.415 2.874 20 0 DFADRP CC(C)[C@H]([NH2+]CCCC[N@@H+]1CCC[C@H]1CO)c1ccc(F)cn1 ZINC000354095192 428860365 /nfs/dbraw/zinc/86/03/65/428860365.db2.gz YXNLJOSJYZRIAX-WMZOPIPTSA-N 2 0 323.456 2.744 20 0 DFADRP Cc1cccc2nc(CN3C[C@@H]4C[N@@H+]5CCCC[C@@H]5[C@H]4C3)cn21 ZINC000363118061 428860972 /nfs/dbraw/zinc/86/09/72/428860972.db2.gz QYXWVYWDNIDXSR-BPQIPLTHSA-N 2 0 310.445 2.559 20 0 DFADRP CC[N@H+](CCC1CC[NH2+]CC1)C[C@@H]1COc2ccccc2O1 ZINC000359196585 428862137 /nfs/dbraw/zinc/86/21/37/428862137.db2.gz URNJOFWNQYGLGW-MRXNPFEDSA-N 2 0 304.434 2.538 20 0 DFADRP CC[N@H+](CCC1CC[NH2+]CC1)Cc1ccc(OC)c(OC)c1 ZINC000359199767 428862539 /nfs/dbraw/zinc/86/25/39/428862539.db2.gz FIGNBVSUBNOSGG-UHFFFAOYSA-N 2 0 306.450 2.915 20 0 DFADRP C(C[N@@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1)C1CC[NH2+]CC1 ZINC000359209646 428866146 /nfs/dbraw/zinc/86/61/46/428866146.db2.gz DEHIUZRAACJKSY-LJQANCHMSA-N 3 0 307.526 2.964 20 0 DFADRP C[C@@H](c1ccc(-n2cncn2)cc1)[N@H+](C)CCC1CC[NH2+]CC1 ZINC000359208403 428867868 /nfs/dbraw/zinc/86/78/68/428867868.db2.gz JISRPWAJYFRUBX-HNNXBMFYSA-N 2 0 313.449 2.650 20 0 DFADRP c1cn2c(cccc2C[N@@H+]2CC[C@@H](c3nc(C4CC4)no3)C2)n1 ZINC000375404432 428876771 /nfs/dbraw/zinc/87/67/71/428876771.db2.gz NYQOWJBUNFBKGC-CYBMUJFWSA-N 2 0 309.373 2.584 20 0 DFADRP C[C@H](CCCC[NH3+])NC(=O)NC[C@@H]1CCC[N@@H+]1C1CCCCC1 ZINC000418133817 428886167 /nfs/dbraw/zinc/88/61/67/428886167.db2.gz LJISZFKOPDNLSP-WBVHZDCISA-N 2 0 324.513 2.600 20 0 DFADRP COC(=O)C[C@@H]1CC[C@H]([NH2+]C[C@H](C)C[NH+]2CCCCC2)[C@H]1C ZINC000354148986 428886798 /nfs/dbraw/zinc/88/67/98/428886798.db2.gz ZDTMGTXEKKQMJD-QAETUUGQSA-N 2 0 310.482 2.676 20 0 DFADRP COC(=O)C[C@@H]1CC[C@H]([NH2+]C[C@H](C)C[NH+]2CCCCC2)[C@@H]1C ZINC000354148989 428887879 /nfs/dbraw/zinc/88/78/79/428887879.db2.gz ZDTMGTXEKKQMJD-YVSFHVDLSA-N 2 0 310.482 2.676 20 0 DFADRP COc1ccc(OC)c(C[N@@H+]2CCCC23CC[NH+](C)CC3)c1 ZINC000375507452 428903132 /nfs/dbraw/zinc/90/31/32/428903132.db2.gz GZXSHSYWVYTGIK-UHFFFAOYSA-N 2 0 304.434 2.764 20 0 DFADRP C[NH+](C)CCOCC[NH2+]Cc1ccc(OC(F)F)c(Cl)c1 ZINC000354207019 428915192 /nfs/dbraw/zinc/91/51/92/428915192.db2.gz SANGQLWWXYHSCM-UHFFFAOYSA-N 2 0 322.783 2.609 20 0 DFADRP CCN(CCC[NH+]1CCCC1)Cc1cc2c(cc1OC)OCO2 ZINC000349368049 428971257 /nfs/dbraw/zinc/97/12/57/428971257.db2.gz NJLQSHNKRLQUQS-UHFFFAOYSA-N 2 0 320.433 2.732 20 0 DFADRP CCC[N@@H+]1CC[C@H](C[NH2+]C2CCC(C)(C(=O)OCC)CC2)C1 ZINC000354209544 428918712 /nfs/dbraw/zinc/91/87/12/428918712.db2.gz IYBCFJPIPIWBAB-KLHKWILBSA-N 2 0 310.482 2.820 20 0 DFADRP Cc1ccc(CCC[N@H+]2CC[C@H](C3CC[NH+](C)CC3)C2)cn1 ZINC000349126584 428923810 /nfs/dbraw/zinc/92/38/10/428923810.db2.gz GUQOTGJTJBIKNV-IBGZPJMESA-N 2 0 301.478 2.986 20 0 DFADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@H](C(C)C)[NH+]1CCC(C)CC1 ZINC000349119614 428924210 /nfs/dbraw/zinc/92/42/10/428924210.db2.gz QUTTXGZZOWMZOA-QZTJIDSGSA-N 2 0 323.525 2.734 20 0 DFADRP CC[N@@H+]1CC[C@@H]([NH+](C)CCC(=O)Nc2cccc(F)c2)C[C@H]1C ZINC000354226432 428925367 /nfs/dbraw/zinc/92/53/67/428925367.db2.gz WDCNXBVJWAEHNP-RHSMWYFYSA-N 2 0 321.440 2.959 20 0 DFADRP COc1ccc2c(c1F)CC[C@@H]2[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000423549309 428971601 /nfs/dbraw/zinc/97/16/01/428971601.db2.gz NIBSZVWNDFSAOS-VLXAULBPSA-N 2 0 304.409 2.799 20 0 DFADRP CC1CCC([NH+]2CCC(N(C)C(=O)/C=C/C[NH+](C)C)CC2)CC1 ZINC000363542979 428937378 /nfs/dbraw/zinc/93/73/78/428937378.db2.gz CBLXBCOPGKAPNY-AATRIKPKSA-N 2 0 321.509 2.606 20 0 DFADRP CC[C@@H]1C[C@H]([NH2+][C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)CCO1 ZINC000423553973 428971816 /nfs/dbraw/zinc/97/18/16/428971816.db2.gz RBTYTJKTYGIGDY-RRIFGTCXSA-N 2 0 316.445 2.790 20 0 DFADRP CC[N@@H+]1CCCC[C@H]1C(=O)NC[C@@H](C(C)C)[NH+]1CCC(C)CC1 ZINC000354273163 428948514 /nfs/dbraw/zinc/94/85/14/428948514.db2.gz RVHJHDJMVSYPGY-ROUUACIJSA-N 2 0 323.525 2.734 20 0 DFADRP C[NH2+]CCC1CC[NH+](CCCOc2ccc3c(c2)OCO3)CC1 ZINC000354280817 428952206 /nfs/dbraw/zinc/95/22/06/428952206.db2.gz HXVZMYHRWKABSN-UHFFFAOYSA-N 2 0 320.433 2.506 20 0 DFADRP CCOC(=O)[C@@H]1CC[C@@H]([NH2+]C2CC[NH+](C3CCC3)CC2)C[C@@H]1C ZINC000359395240 428954594 /nfs/dbraw/zinc/95/45/94/428954594.db2.gz MICRRPLLDLDIHH-YXJHDRRASA-N 2 0 322.493 2.961 20 0 DFADRP O[C@H](CC[NH2+]C1CC[NH+](C2CCCCC2)CC1)C(F)(F)F ZINC000349293087 428957168 /nfs/dbraw/zinc/95/71/68/428957168.db2.gz DOKNFURHPFFVCR-CQSZACIVSA-N 2 0 308.388 2.686 20 0 DFADRP C[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+]CC[C@H](O)C(F)(F)F)CC1 ZINC000349336715 428964328 /nfs/dbraw/zinc/96/43/28/428964328.db2.gz XOMJDDRYWZDJAD-YUELXQCFSA-N 2 0 322.415 2.932 20 0 DFADRP C[C@H](c1ccccc1)N1CC[C@H]([NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)C1 ZINC000423545107 428967705 /nfs/dbraw/zinc/96/77/05/428967705.db2.gz OTUHQBVCWHJGPO-PKOFMYQESA-N 2 0 313.489 2.800 20 0 DFADRP C[C@H]1C[N@H+](C)CC[C@H]1[NH2+]CCc1cn(C)c2cc(F)ccc12 ZINC000349357088 428968573 /nfs/dbraw/zinc/96/85/73/428968573.db2.gz SMEJVCHHPMRSDO-SUMWQHHRSA-N 2 0 303.425 2.790 20 0 DFADRP C[C@H]([NH2+]CCC1=CC[NH2+]CC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000423536334 428969330 /nfs/dbraw/zinc/96/93/30/428969330.db2.gz HITYBKZDDATUMD-FXAWDEMLSA-N 3 0 313.489 2.796 20 0 DFADRP c1ccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@H](NCCC[NH2+]C2CC2)C3)cc1 ZINC000423550431 428972472 /nfs/dbraw/zinc/97/24/72/428972472.db2.gz ILGRTLZBFQXHCD-OWZKRDHZSA-N 2 0 313.489 2.914 20 0 DFADRP C[C@H]([NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1)c1cnn(Cc2ccccc2)c1 ZINC000423552600 428972550 /nfs/dbraw/zinc/97/25/50/428972550.db2.gz VKIBFUJMLBPLHD-ZCDKGFTFSA-N 2 0 324.472 2.970 20 0 DFADRP COC(=O)C[C@@H]1CC[C@H]([NH2+]C[C@@H]2CCC[N@@H+](C(C)C)C2)[C@H]1C ZINC000354327356 428970692 /nfs/dbraw/zinc/97/06/92/428970692.db2.gz GUTGRZGKNMFCRG-QAETUUGQSA-N 2 0 310.482 2.674 20 0 DFADRP CC1(C)CC([NH2+]Cc2ccccc2C[N@@H+]2CCC[C@@H]2CO)C1 ZINC000433244382 429015428 /nfs/dbraw/zinc/01/54/28/429015428.db2.gz XRVLMUXXLGYEET-GOSISDBHSA-N 2 0 302.462 2.922 20 0 DFADRP C[C@@H](C(=O)Nc1cccc2c1C[NH2+]CC2)[C@H]([NH3+])c1ccccc1 ZINC000375964087 429028442 /nfs/dbraw/zinc/02/84/42/429028442.db2.gz MNUGPDVETLFRLH-ACJLOTCBSA-N 2 0 309.413 2.607 20 0 DFADRP COCCc1nc(C)c([C@H](C)[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)s1 ZINC000423551209 428972778 /nfs/dbraw/zinc/97/27/78/428972778.db2.gz UEKHRHPJWXRIAA-SPWCGHHHSA-N 2 0 323.506 2.679 20 0 DFADRP C[C@H]1C[NH+](CC2CC[NH+](CCC3CCOCC3)CC2)C[C@H](C)O1 ZINC000432938210 428974270 /nfs/dbraw/zinc/97/42/70/428974270.db2.gz KPNLTIOORRPEBZ-IRXDYDNUSA-N 2 0 324.509 2.624 20 0 DFADRP COc1cc(C)c([C@@H](C)[NH2+]CCC2=CC[NH2+]CC2)cc1OC ZINC000423571908 428974793 /nfs/dbraw/zinc/97/47/93/428974793.db2.gz XYMPGKVLESURSA-CQSZACIVSA-N 2 0 304.434 2.973 20 0 DFADRP CC[NH+](CC)CCC[N@H+](CC)C[C@H]1CCO[C@H]1c1ccnn1C ZINC000349386334 428978709 /nfs/dbraw/zinc/97/87/09/428978709.db2.gz RSQOVUSATLVZND-SJLPKXTDSA-N 2 0 322.497 2.552 20 0 DFADRP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+](C)Cc1ccc(O)cc1 ZINC000349383352 428979745 /nfs/dbraw/zinc/97/97/45/428979745.db2.gz MHVCHTZBPNMBKN-UHFFFAOYSA-N 2 0 308.385 2.913 20 0 DFADRP C[NH+]1CCC(N2CC[C@H]([NH2+][C@@H]3[C@@H]4CCCC[C@@H]4C3(C)C)C2)CC1 ZINC000363749432 428982075 /nfs/dbraw/zinc/98/20/75/428982075.db2.gz KYLBOIBQJILXNE-WZGPROSRSA-N 2 0 319.537 2.959 20 0 DFADRP CCCC[N@H+](CCCO)Cc1cn(-c2cc[nH+]cc2)nc1C ZINC000349409620 428985345 /nfs/dbraw/zinc/98/53/45/428985345.db2.gz RVZUTCULGNMZCZ-UHFFFAOYSA-N 2 0 302.422 2.560 20 0 DFADRP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]C[C@H]1CCCN(c2ccccc2)C1 ZINC000433093608 428992060 /nfs/dbraw/zinc/99/20/60/428992060.db2.gz VALZSWNUOWAJIH-LMMKCTJWSA-N 2 0 301.478 2.833 20 0 DFADRP COC(=O)c1csc([C@@H](C)[NH2+]C[C@H]2CCCn3ccnc32)c1 ZINC000375841373 428993192 /nfs/dbraw/zinc/99/31/92/428993192.db2.gz RQNOOCJTELOXSY-VXGBXAGGSA-N 2 0 319.430 2.959 20 0 DFADRP OCC1(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)CC(c2ccccc2)C1 ZINC000433085626 428993212 /nfs/dbraw/zinc/99/32/12/428993212.db2.gz WZCGYEUPSRNUCK-KAXARAQCSA-N 2 0 314.473 2.759 20 0 DFADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1[NH2+]CC1(CO)CC(c2ccccc2)C1 ZINC000433085246 428993329 /nfs/dbraw/zinc/99/33/29/428993329.db2.gz UDMCLXLHUQFCRH-UXATZLLSSA-N 2 0 316.489 2.861 20 0 DFADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]CC2(SC)CC2)[C@@H](C)C1 ZINC000433084364 428993929 /nfs/dbraw/zinc/99/39/29/428993929.db2.gz SJUGDHXQVLETJS-GJZGRUSLSA-N 2 0 300.512 2.609 20 0 DFADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CC2(SC)CC2)[C@@H](C)C1 ZINC000433084366 428994384 /nfs/dbraw/zinc/99/43/84/428994384.db2.gz SJUGDHXQVLETJS-LSDHHAIUSA-N 2 0 300.512 2.609 20 0 DFADRP CC[C@H](C(=O)NCCC[C@H]1CCC[NH2+]1)[N@H+](C)Cc1ccccc1 ZINC000423696642 428997193 /nfs/dbraw/zinc/99/71/93/428997193.db2.gz IHQCRGTVSQPSRY-QZTJIDSGSA-N 2 0 317.477 2.545 20 0 DFADRP Cc1ccc(Cl)cc1NC(=O)CCC[NH+]1CCC([NH3+])CC1 ZINC000433124397 428997262 /nfs/dbraw/zinc/99/72/62/428997262.db2.gz BZNZRGAKNYUKKP-UHFFFAOYSA-N 2 0 309.841 2.790 20 0 DFADRP C[C@H](CC[NH2+]C1CCN(c2nccs2)CC1)[NH+]1CCCCC1 ZINC000363861404 428999559 /nfs/dbraw/zinc/99/95/59/428999559.db2.gz MHDMRJYMRVDGCN-OAHLLOKOSA-N 2 0 322.522 2.966 20 0 DFADRP CC(C)C[C@@H]1CCCCN1C(=O)CCC[NH+]1CCC([NH3+])CC1 ZINC000433127110 428999680 /nfs/dbraw/zinc/99/96/80/428999680.db2.gz RASVXGOBYASKHQ-KRWDZBQOSA-N 2 0 309.498 2.617 20 0 DFADRP CC(C)CC[C@H]1CCC[C@H]1NC(=O)CCC[NH+]1CCC([NH3+])CC1 ZINC000433134994 428999808 /nfs/dbraw/zinc/99/98/08/428999808.db2.gz ICCQGLJGOXDQQE-SJLPKXTDSA-N 2 0 323.525 2.911 20 0 DFADRP C[N@@H+]1CC[C@H]([NH2+]CCc2ccc3c(c2)CCO3)[C@@H]2CCC[C@H]21 ZINC000375859860 429002256 /nfs/dbraw/zinc/00/22/56/429002256.db2.gz FTGAVHVSFNHVTA-OKZBNKHCSA-N 2 0 300.446 2.626 20 0 DFADRP CC(C)[NH+]1CCC(NC(=O)C(C)(C)[C@H]([NH3+])c2ccccc2)CC1 ZINC000423718037 429002926 /nfs/dbraw/zinc/00/29/26/429002926.db2.gz ATYULRAKXFLBND-QGZVFWFLSA-N 2 0 317.477 2.702 20 0 DFADRP C[C@H]1CC(C)(C)CC[C@@H]1NC(=O)CCC[NH+]1CCC([NH3+])CC1 ZINC000433174608 429003421 /nfs/dbraw/zinc/00/34/21/429003421.db2.gz NLLIXAZESXGHDY-HOCLYGCPSA-N 2 0 309.498 2.521 20 0 DFADRP Cc1ccc(C[N@H+]2CC[C@H](N3CC[NH+](C(C)C)CC3)C2)cc1 ZINC000375891346 429008692 /nfs/dbraw/zinc/00/86/92/429008692.db2.gz QJVIJGFSQNNVRC-IBGZPJMESA-N 2 0 301.478 2.595 20 0 DFADRP O=C(N[C@@H]1CC[N@@H+]2CCCC[C@H]12)[C@@H]1CCCC[NH+]1C1CCCC1 ZINC000433231947 429013697 /nfs/dbraw/zinc/01/36/97/429013697.db2.gz ZJSOEZXPMWTYQU-KURKYZTESA-N 2 0 319.493 2.527 20 0 DFADRP CC[C@@]1(C)CC[N@H+](CC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC000354856993 429013645 /nfs/dbraw/zinc/01/36/45/429013645.db2.gz MWXCHMZIPZRCOL-HKUYNNGSSA-N 2 0 317.477 2.528 20 0 DFADRP CC(C)[NH+]1CCN([C@H]2CC[N@@H+]([C@@H](C)c3ccccc3F)C2)CC1 ZINC000375905722 429014054 /nfs/dbraw/zinc/01/40/54/429014054.db2.gz NSDMIGJLRWCGHY-IRXDYDNUSA-N 2 0 319.468 2.987 20 0 DFADRP COC[C@]1(C[NH2+][C@@H](C)[C@H](C)c2ccc(OC)cc2)CCC[NH2+]1 ZINC000423437916 429089291 /nfs/dbraw/zinc/08/92/91/429089291.db2.gz UONTVFBOUIWQKZ-RLFYNMQTSA-N 2 0 306.450 2.545 20 0 DFADRP C[C@@H](CCC[NH3+])[NH2+]C1CC[NH+]([C@@H](C)Cc2ccccc2)CC1 ZINC000423457378 429090340 /nfs/dbraw/zinc/09/03/40/429090340.db2.gz OWYYPSVVVJBPFL-IRXDYDNUSA-N 3 0 303.494 2.799 20 0 DFADRP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+][C@@H](C)CCC[NH3+])CC1 ZINC000423457374 429090980 /nfs/dbraw/zinc/09/09/80/429090980.db2.gz OWYYPSVVVJBPFL-DLBZAZTESA-N 3 0 303.494 2.799 20 0 DFADRP C[C@H](CCC[NH3+])[NH2+][C@H](C)c1ccc(-n2cncn2)cc1Cl ZINC000423458270 429091046 /nfs/dbraw/zinc/09/10/46/429091046.db2.gz PXCVBUYUHIXVPZ-VXGBXAGGSA-N 2 0 307.829 2.699 20 0 DFADRP C[C@@H]([NH2+]CCC[C@H]1CCC[NH2+]1)c1cccc(N2CCCC2=O)c1 ZINC000423469602 429092646 /nfs/dbraw/zinc/09/26/46/429092646.db2.gz CUTKVOLBRMBGPK-WBVHZDCISA-N 2 0 315.461 2.996 20 0 DFADRP C[C@H](CC(=O)N(C)c1ccccc1)[NH2+]CCC[C@@H]1CCC[NH2+]1 ZINC000423475924 429093794 /nfs/dbraw/zinc/09/37/94/429093794.db2.gz IHLQJSNVZHTWLL-HZPDHXFCSA-N 2 0 303.450 2.550 20 0 DFADRP [NH3+][C@H](CCC(=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12)CC1CCCCC1 ZINC000424138174 429096213 /nfs/dbraw/zinc/09/62/13/429096213.db2.gz TXNONZIEKUGGIH-SQNIBIBYSA-N 2 0 321.509 2.807 20 0 DFADRP CC[NH+]1CCN(CC(C)(C)[NH2+]C[C@@H]2CCCC(F)(F)C2)CC1 ZINC000451994456 429035283 /nfs/dbraw/zinc/03/52/83/429035283.db2.gz VRYSVQNJWJHQMG-OAHLLOKOSA-N 2 0 317.468 2.818 20 0 DFADRP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@H](C)c2ccncc2Cl)CC1 ZINC000421826668 429037427 /nfs/dbraw/zinc/03/74/27/429037427.db2.gz UGBDUGKFJSGXEG-HUUCEWRRSA-N 2 0 324.900 2.659 20 0 DFADRP CC(C)CC[C@H]1CCCN1C(=O)CCC[NH+]1CCC([NH3+])CC1 ZINC000423853604 429038363 /nfs/dbraw/zinc/03/83/63/429038363.db2.gz SYBYNVPLXKXYIQ-QGZVFWFLSA-N 2 0 309.498 2.617 20 0 DFADRP C[C@H]([NH3+])CCC(=O)NCC[C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000423904479 429052545 /nfs/dbraw/zinc/05/25/45/429052545.db2.gz OHWCMTDKADHFAN-XYJFISCASA-N 2 0 317.477 2.531 20 0 DFADRP C[C@H](NC[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1)[C@@H]1CCCC[NH2+]1 ZINC000423483740 429096745 /nfs/dbraw/zinc/09/67/45/429096745.db2.gz ZBXMJHURYIAIFH-WQCNXYOZSA-N 3 0 319.468 2.639 20 0 DFADRP CO[C@@H]1CCCC[C@H]1[NH2+][C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422969989 429052919 /nfs/dbraw/zinc/05/29/19/429052919.db2.gz VOILQYITEMMRJQ-RWQQGDIJSA-N 2 0 316.445 2.790 20 0 DFADRP C[NH2+]C[C@H](C)C[NH2+][C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000423275522 429056137 /nfs/dbraw/zinc/05/61/37/429056137.db2.gz NFPDLWNCQAKANW-IJXRJRJASA-N 3 0 315.505 2.732 20 0 DFADRP CC(C)[C@H]([NH3+])C[NH2+][C@H]1CCc2cc(Br)ccc2C1 ZINC000423284120 429057404 /nfs/dbraw/zinc/05/74/04/429057404.db2.gz XTHNUNHCDILJBT-LSDHHAIUSA-N 2 0 311.267 2.879 20 0 DFADRP CCC([NH3+])(CC)C[NH2+][C@@H](C)c1ccc(CCNC(C)=O)cc1 ZINC000423287574 429057603 /nfs/dbraw/zinc/05/76/03/429057603.db2.gz MZWKVFJBUXGWGQ-AWEZNQCLSA-N 2 0 305.466 2.533 20 0 DFADRP C[C@@H]([NH2+]C[C@@H](C)C[NH3+])c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000423293505 429058482 /nfs/dbraw/zinc/05/84/82/429058482.db2.gz AALCNCVASDQYIK-UONOGXRCSA-N 2 0 324.490 2.648 20 0 DFADRP C[C@H](C[NH3+])C[NH2+][C@@H]1CCc2c1ccc(F)c2Br ZINC000423308128 429059953 /nfs/dbraw/zinc/05/99/53/429059953.db2.gz NXUCKNOLPJNNIN-PRHODGIISA-N 2 0 301.203 2.760 20 0 DFADRP CCOC(=O)[C@H]1CC[C@@H]([NH2+]CC2([NH3+])CCC2)c2ccccc21 ZINC000423316637 429062072 /nfs/dbraw/zinc/06/20/72/429062072.db2.gz BXTAVKBMEYRMRH-JKSUJKDBSA-N 2 0 302.418 2.639 20 0 DFADRP CC(C)[C@H](C(=O)NCc1ccccc1C[NH+]1CCCC1)[C@@H](C)[NH3+] ZINC000423314152 429062503 /nfs/dbraw/zinc/06/25/03/429062503.db2.gz VIZCZZOZLRHZTB-QAPCUYQASA-N 2 0 317.477 2.518 20 0 DFADRP CC1(C)C[C@@H]([NH2+]CC2C[NH2+]C2)c2cc(Br)ccc21 ZINC000423329622 429064434 /nfs/dbraw/zinc/06/44/34/429064434.db2.gz SZXYMRJIMFBDLG-CQSZACIVSA-N 2 0 309.251 2.981 20 0 DFADRP C[C@@H]([NH3+])c1ccc(C(=O)NC[C@H](C)[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000423329575 429065498 /nfs/dbraw/zinc/06/54/98/429065498.db2.gz MVTSHFJSKMCJKC-QLFBSQMISA-N 2 0 303.450 2.557 20 0 DFADRP CC(C)[C@H](C(=O)NCc1ccccc1C[N@H+](C)C(C)C)[C@H](C)[NH3+] ZINC000423337677 429067079 /nfs/dbraw/zinc/06/70/79/429067079.db2.gz RGUAQQZCGIKAMO-YJBOKZPZSA-N 2 0 319.493 2.762 20 0 DFADRP C[C@@H]([NH2+]CC1(C)CC[NH2+]CC1)c1cccc(N2CCCC2=O)c1 ZINC000423334655 429067509 /nfs/dbraw/zinc/06/75/09/429067509.db2.gz QYXWACFLORHPCH-OAHLLOKOSA-N 2 0 315.461 2.854 20 0 DFADRP C[C@@H]([NH2+]CC1(C)CC[NH2+]CC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000423337851 429068610 /nfs/dbraw/zinc/06/86/10/429068610.db2.gz UGPOWPZGJHSQOR-MJGOQNOKSA-N 3 0 315.505 2.876 20 0 DFADRP C[C@H]([NH2+]C[C@@H]1CC[NH2+]C1)c1ccc(F)c(Br)c1 ZINC000423347018 429070615 /nfs/dbraw/zinc/07/06/15/429070615.db2.gz QMRHIBSWLJTIAO-VHSXEESVSA-N 2 0 301.203 2.848 20 0 DFADRP C[C@@H](CNC(=O)[C@@H]([NH3+])CC1CCCCC1)[NH+]1CCC(C)CC1 ZINC000423357153 429071330 /nfs/dbraw/zinc/07/13/30/429071330.db2.gz LQCHAIKUPQEXBO-RDJZCZTQSA-N 2 0 309.498 2.521 20 0 DFADRP [NH3+][C@H](C(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1)C1CCC1 ZINC000423356983 429071621 /nfs/dbraw/zinc/07/16/21/429071621.db2.gz RMTXPUZPDNGZHS-SFHVURJKSA-N 2 0 315.461 2.781 20 0 DFADRP COc1cc(NC(C)=O)ccc1[C@H](C)[NH2+][C@@H]1CCC[C@H]([NH3+])C1 ZINC000423367477 429073937 /nfs/dbraw/zinc/07/39/37/429073937.db2.gz COKZIWQYWFCTIY-FPMFFAJLSA-N 2 0 305.422 2.574 20 0 DFADRP C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)c1ccc([C@H](C)[NH3+])cc1 ZINC000423365774 429074291 /nfs/dbraw/zinc/07/42/91/429074291.db2.gz PSGASNYWUBHJFV-KFWWJZLASA-N 2 0 303.450 2.557 20 0 DFADRP C[C@H]([NH3+])c1ccc(C(=O)N(CC[NH+](C)C)c2ccccc2)cc1 ZINC000423368505 429075224 /nfs/dbraw/zinc/07/52/24/429075224.db2.gz ZYPAOHOQAGQUBV-HNNXBMFYSA-N 2 0 311.429 2.915 20 0 DFADRP CC[NH2+][C@H](C)CN[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000423393096 429078567 /nfs/dbraw/zinc/07/85/67/429078567.db2.gz YIUUJKIAKBFOKR-OQIJWPOYSA-N 2 0 301.478 2.770 20 0 DFADRP COCC1(C[NH2+][C@H]2CCSc3ccccc32)CC[NH2+]CC1 ZINC000423390857 429079650 /nfs/dbraw/zinc/07/96/50/429079650.db2.gz NAYMWBRLXFRWGK-HNNXBMFYSA-N 2 0 306.475 2.829 20 0 DFADRP CC(C)[C@H]([NH2+]C[C@@H]1C[NH2+]C[C@H]1O)c1cccc(C(F)(F)F)c1 ZINC000423397848 429079844 /nfs/dbraw/zinc/07/98/44/429079844.db2.gz CIHJOSSQWKYHKN-CFVMTHIKSA-N 2 0 316.367 2.572 20 0 DFADRP C[C@@H]1C[NH2+]CC[C@@H]1[NH2+][C@@H]1CCCN(Cc2ccccc2)[C@@H]1C ZINC000423396346 429080204 /nfs/dbraw/zinc/08/02/04/429080204.db2.gz NRUWEMCKVNPNCH-ZAWLATJESA-N 2 0 301.478 2.627 20 0 DFADRP CCCC[C@H](C)[C@H](C)[NH2+]C[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000423398710 429081047 /nfs/dbraw/zinc/08/10/47/429081047.db2.gz UEQJVOROZDTHSW-IHRRRGAJSA-N 2 0 309.420 2.627 20 0 DFADRP COCC1(C[NH2+][C@@H]2c3cc(C)ccc3C[C@H]2C)CC[NH2+]CC1 ZINC000423405949 429081151 /nfs/dbraw/zinc/08/11/51/429081151.db2.gz JXGDFRFBYWCVSP-QAPCUYQASA-N 2 0 302.462 2.834 20 0 DFADRP COC(=O)c1csc([C@H](C)[NH2+]Cc2ccc3c(c2)C[NH2+]C3)c1 ZINC000423405512 429082062 /nfs/dbraw/zinc/08/20/62/429082062.db2.gz YAVPCKWGGBHDBU-NSHDSACASA-N 2 0 316.426 2.989 20 0 DFADRP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1N[C@H](C[NH3+])c1ccc2ccccc2c1 ZINC000423408376 429082227 /nfs/dbraw/zinc/08/22/27/429082227.db2.gz XJZXBPNWRIMWCO-JSNMRZPZSA-N 2 0 309.457 2.912 20 0 DFADRP c1cc(C[NH2+][C@@H]2CCCC[C@H]2[C@@H]2CCOC2)cc2c1C[NH2+]C2 ZINC000423405649 429082302 /nfs/dbraw/zinc/08/23/02/429082302.db2.gz YFRQNGDREHFRTL-NZSAHSFTSA-N 2 0 300.446 2.975 20 0 DFADRP COC[C@@]1(C[NH2+][C@@H](C)CCc2ccc(F)cc2F)CCC[NH2+]1 ZINC000423411068 429083146 /nfs/dbraw/zinc/08/31/46/429083146.db2.gz DXJREQGBGDPDLB-GUYCJALGSA-N 2 0 312.404 2.644 20 0 DFADRP COC[C@]1(C[NH2+][C@@H]2CCC[C@@H](c3ncccc3C)C2)CCC[NH2+]1 ZINC000423414451 429083482 /nfs/dbraw/zinc/08/34/82/429083482.db2.gz MYABDWVPXWVNAX-ZHALLVOQSA-N 2 0 317.477 2.774 20 0 DFADRP COC[C@@]1(C[NH2+][C@H](C)CCc2ccc(F)cc2F)CCC[NH2+]1 ZINC000423411067 429083570 /nfs/dbraw/zinc/08/35/70/429083570.db2.gz DXJREQGBGDPDLB-DYVFJYSZSA-N 2 0 312.404 2.644 20 0 DFADRP COc1ccc([C@@H](C)[NH2+][C@@H](C)CCCC[NH3+])cc1NC(C)=O ZINC000423426738 429084651 /nfs/dbraw/zinc/08/46/51/429084651.db2.gz HXSHZFWDLCKDAZ-QWHCGFSZSA-N 2 0 307.438 2.822 20 0 DFADRP c1ccc2c(c1)CC[NH2+][C@@H]2CN[C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1 ZINC000423421140 429085583 /nfs/dbraw/zinc/08/55/83/429085583.db2.gz JVBYOTVKHHWWJE-UAFMIMERSA-N 2 0 313.489 2.774 20 0 DFADRP C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)CC[C@H]([NH3+])CC1CCCCC1 ZINC000424064327 429085712 /nfs/dbraw/zinc/08/57/12/429085712.db2.gz ZDUIGHVHURTDLD-XIRDDKMYSA-N 2 0 309.498 2.793 20 0 DFADRP C[C@H](CCCC[NH3+])[NH2+][C@@H](C)[C@@H](c1ccccc1)N1CCOCC1 ZINC000423431627 429086651 /nfs/dbraw/zinc/08/66/51/429086651.db2.gz LYPDSVHNNSAFCW-AOIWGVFYSA-N 2 0 319.493 2.556 20 0 DFADRP CC(C)[C@@H]([NH3+])CCN(C)C(=O)CC[C@@H]([NH3+])CC1CCCCC1 ZINC000424077110 429088704 /nfs/dbraw/zinc/08/87/04/429088704.db2.gz NOFKGJOGILBZNB-SJORKVTESA-N 2 0 311.514 2.896 20 0 DFADRP COC[C@]1(C[NH2+][C@H](C)[C@@H](C)c2ccc(OC)cc2)CCC[NH2+]1 ZINC000423437915 429088821 /nfs/dbraw/zinc/08/88/21/429088821.db2.gz UONTVFBOUIWQKZ-IIDMSEBBSA-N 2 0 306.450 2.545 20 0 DFADRP Cc1cc(C[NH3+])cc(NC(=O)N[C@@H](C)C[N@@H+]2CCC[C@H](C)C2)c1 ZINC000424448467 429142931 /nfs/dbraw/zinc/14/29/31/429142931.db2.gz XZTWFNGIZFTVMP-ZFWWWQNUSA-N 2 0 318.465 2.696 20 0 DFADRP COc1cc2[nH+]ccc(N3CC[N@@H+]4CCC[C@H]4C3)c2cc1OC ZINC000413132232 429143740 /nfs/dbraw/zinc/14/37/40/429143740.db2.gz SXQBYPAWDOHRDS-ZDUSSCGKSA-N 2 0 313.401 2.536 20 0 DFADRP CCN(CC(=O)Nc1cc(C)ccc1C)[C@H]1CCC[NH2+]CC1 ZINC000435616389 429152220 /nfs/dbraw/zinc/15/22/20/429152220.db2.gz SKOPUNREEVJGOZ-INIZCTEOSA-N 2 0 303.450 2.706 20 0 DFADRP CCN(Cc1nc(-c2ccsc2)no1)[C@H]1CCC[NH2+]CC1 ZINC000435612130 429152891 /nfs/dbraw/zinc/15/28/91/429152891.db2.gz DVCVDVAXFDWTGW-ZDUSSCGKSA-N 2 0 306.435 2.762 20 0 DFADRP CC[N@H+](CCC(=O)NCC1CCCCC1)[C@@H]1CCC[NH2+]CC1 ZINC000435630207 429154519 /nfs/dbraw/zinc/15/45/19/429154519.db2.gz WJNISOWUPODLIR-QGZVFWFLSA-N 2 0 309.498 2.537 20 0 DFADRP C[C@H]([NH2+][C@H]1CC[C@@H](C[NH3+])C1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000423495517 429098534 /nfs/dbraw/zinc/09/85/34/429098534.db2.gz UNDZUDJVINYUCI-AHIWAGSCSA-N 2 0 316.449 2.749 20 0 DFADRP CN(C(=O)CC[C@H]([NH3+])CC1CCCCC1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000424141369 429098603 /nfs/dbraw/zinc/09/86/03/429098603.db2.gz CKNXYJYJXRAVNG-FUHWJXTLSA-N 2 0 321.509 2.759 20 0 DFADRP Clc1cccc([C@@H]2CC[C@H]([NH2+]C[C@H]3C[NH2+]CCCO3)C2)c1 ZINC000423492845 429098841 /nfs/dbraw/zinc/09/88/41/429098841.db2.gz OVGKWHMGCMYAMP-HYVNUMGLSA-N 2 0 308.853 2.944 20 0 DFADRP C[C@H]([NH2+]C[C@@H]1C[NH2+]CCCO1)[C@H](C)c1nc2ccccc2s1 ZINC000423492595 429099211 /nfs/dbraw/zinc/09/92/11/429099211.db2.gz NUSYHFBMOBUMLF-IHRRRGAJSA-N 2 0 319.474 2.756 20 0 DFADRP COc1cc(C)c(C[C@H](C)[NH2+][C@H]2CC[C@H](C[NH3+])C2)cc1OC ZINC000423493527 429099431 /nfs/dbraw/zinc/09/94/31/429099431.db2.gz BRVKCOYKWKKHGS-DZKIICNBSA-N 2 0 306.450 2.660 20 0 DFADRP C[C@H]([NH2+]C1CCC([NH+]2CCNCC2)CC1)c1ccc(F)c(F)c1 ZINC000423502544 429101507 /nfs/dbraw/zinc/10/15/07/429101507.db2.gz FECGSIMNMVPARN-JEYLPNPQSA-N 2 0 323.431 2.832 20 0 DFADRP C[C@@H]([NH2+][C@@H](CN)C1CCCC1)c1ccc(OCC[NH+](C)C)cc1 ZINC000423505797 429101903 /nfs/dbraw/zinc/10/19/03/429101903.db2.gz HISVHPZQUXAOHP-BEFAXECRSA-N 2 0 319.493 2.795 20 0 DFADRP C[C@H](c1ccc2c(c1)C(C)(C)C(=O)N2)[N@@H+]1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000423512815 429104529 /nfs/dbraw/zinc/10/45/29/429104529.db2.gz QLUBLTWOWPLXMB-VLXJIEOASA-N 2 0 315.461 2.894 20 0 DFADRP [NH3+]CC[C@@H]1CCCCN1C(=O)CC[C@H]([NH3+])CC1CCCCC1 ZINC000424176026 429105128 /nfs/dbraw/zinc/10/51/28/429105128.db2.gz OHZHWCGCSFVAGM-IRXDYDNUSA-N 2 0 309.498 2.794 20 0 DFADRP C[C@@H]([NH2+]C1CCC([NH+]2CCNCC2)CC1)c1ccc(F)cc1 ZINC000423520544 429105197 /nfs/dbraw/zinc/10/51/97/429105197.db2.gz RGZJLFDPDKMVNU-RWBZWWBESA-N 2 0 305.441 2.693 20 0 DFADRP C[C@@H]1C[C@H]([NH2+]CC2(N)CC[NH+](Cc3ccccc3)CC2)[C@@H]1C ZINC000423517665 429105823 /nfs/dbraw/zinc/10/58/23/429105823.db2.gz BSPIGDJFTIWSCP-NUJGCVRESA-N 2 0 301.478 2.614 20 0 DFADRP C[C@H]([NH2+]C1CCC([NH+]2CCNCC2)CC1)c1cccc(F)c1 ZINC000423519738 429105915 /nfs/dbraw/zinc/10/59/15/429105915.db2.gz QJSOPYQJXYFWML-NNGSBXSVSA-N 2 0 305.441 2.693 20 0 DFADRP Cc1ccc([C@H](C)[NH2+]C2CCC([NH+]3CCNCC3)CC2)cc1 ZINC000423520564 429106083 /nfs/dbraw/zinc/10/60/83/429106083.db2.gz RLGOPGKOOIBRPR-IVMQYODDSA-N 2 0 301.478 2.862 20 0 DFADRP C[C@@H]([NH2+]C1CCC([NH+]2CCNCC2)CC1)c1cccc(F)c1 ZINC000423519739 429106424 /nfs/dbraw/zinc/10/64/24/429106424.db2.gz QJSOPYQJXYFWML-RWBZWWBESA-N 2 0 305.441 2.693 20 0 DFADRP CC[N@H+](Cc1ccc(C(=O)N[C@H]2CCC[NH2+][C@H]2C)cc1)C1CC1 ZINC000434704143 429107122 /nfs/dbraw/zinc/10/71/22/429107122.db2.gz XGPLKVGUPORYFQ-KSSFIOAISA-N 2 0 315.461 2.541 20 0 DFADRP CC(C)[C@@H]1C[C@H]([NH2+]CC2([NH3+])C3CC4CC(C3)CC2C4)CCO1 ZINC000423524227 429109050 /nfs/dbraw/zinc/10/90/50/429109050.db2.gz JBNPJGMMNICJQE-WKZQYRDASA-N 2 0 306.494 2.933 20 0 DFADRP CC1(C)[C@H]([NH2+]CC2([NH3+])C3CC4CC(C3)CC2C4)[C@@H]2CCO[C@@H]21 ZINC000423522841 429109508 /nfs/dbraw/zinc/10/95/08/429109508.db2.gz HRUUDFQHFMJDQY-WUDZWVLASA-N 2 0 304.478 2.543 20 0 DFADRP C([NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCCC2)C1CC[NH+](C2CC2)CC1 ZINC000376468550 429118055 /nfs/dbraw/zinc/11/80/55/429118055.db2.gz LVOJQRWHSJLYJC-KSZLIROESA-N 2 0 304.478 2.798 20 0 DFADRP C([NH2+]C1CC[NH+](C2CCCC2)CC1)C1CCC2(CC1)OCCO2 ZINC000376476745 429119394 /nfs/dbraw/zinc/11/93/94/429119394.db2.gz JPQMDLTUQMLINC-UHFFFAOYSA-N 2 0 322.493 2.916 20 0 DFADRP CN(CC[C@@H]1CCCC[N@@H+]1C)C[C@H](C[NH3+])c1ccc(F)cc1 ZINC000424278714 429119480 /nfs/dbraw/zinc/11/94/80/429119480.db2.gz DYOUDQSAFSPQPL-WMZOPIPTSA-N 2 0 307.457 2.674 20 0 DFADRP C[C@@H]1CC2(C[N@@H+]1CC(=O)Nc1cccc(Cl)c1)CC[NH2+]CC2 ZINC000424294340 429121238 /nfs/dbraw/zinc/12/12/38/429121238.db2.gz QAEKXCLGLKGLEI-CYBMUJFWSA-N 2 0 321.852 2.743 20 0 DFADRP Clc1ccccc1C[NH+]1CCC(n2ncc3c2C[NH2+]C3)CC1 ZINC000424293647 429121835 /nfs/dbraw/zinc/12/18/35/429121835.db2.gz PKBCZWRSEBMOKM-UHFFFAOYSA-N 2 0 316.836 2.977 20 0 DFADRP Cc1nccn1C[C@@H]1CCC[N@@H+]1C[C@H](C[NH3+])c1ccc(F)cc1 ZINC000424308141 429124868 /nfs/dbraw/zinc/12/48/68/429124868.db2.gz ZFVUDNOVGZIJID-WMZOPIPTSA-N 2 0 316.424 2.538 20 0 DFADRP COc1ccc(OC)c(C[N@@H+]2CC3(C[C@@H]2C)CC[NH2+]CC3)c1 ZINC000424373489 429131380 /nfs/dbraw/zinc/13/13/80/429131380.db2.gz HDFKNXSJKZBLDV-AWEZNQCLSA-N 2 0 304.434 2.668 20 0 DFADRP COc1ccc(C[N@@H+]2CC3(C[C@@H]2C)CC[NH2+]CC3)c(OC)c1 ZINC000424372090 429132452 /nfs/dbraw/zinc/13/24/52/429132452.db2.gz FLPCIXBRSIBMPS-AWEZNQCLSA-N 2 0 304.434 2.668 20 0 DFADRP [NH3+]CC1CC[NH+](Cc2ccccc2OCc2cccnc2)CC1 ZINC000435368960 429134509 /nfs/dbraw/zinc/13/45/09/429134509.db2.gz CXCJOPYDKSYATB-UHFFFAOYSA-N 2 0 311.429 2.831 20 0 DFADRP C[C@@H]1CC[C@H](C[N@H+](C)C2CCN(Cc3ccncc3)CC2)O1 ZINC000376559948 429135137 /nfs/dbraw/zinc/13/51/37/429135137.db2.gz AZONGGDMMSVCAN-CRAIPNDOSA-N 2 0 303.450 2.545 20 0 DFADRP COc1ccc(-c2ccncc2)cc1C[N@@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000435377803 429135210 /nfs/dbraw/zinc/13/52/10/429135210.db2.gz FJZGXDUCUZQVNI-YTQUADARSA-N 2 0 323.440 2.926 20 0 DFADRP CC[N@H+](Cc1cc(OC)c(OC)c(OC)c1)[C@@H]1CCC[NH2+]CC1 ZINC000435388956 429136273 /nfs/dbraw/zinc/13/62/73/429136273.db2.gz IJZPQEQWMLPLPK-OAHLLOKOSA-N 2 0 322.449 2.676 20 0 DFADRP Cc1nn(-c2ccc(Cl)cc2)c(C)c1C[N@@H+]1CC[C@@H](C[NH3+])C1 ZINC000435389858 429136798 /nfs/dbraw/zinc/13/67/98/429136798.db2.gz OUYHCVKNXVFQIN-AWEZNQCLSA-N 2 0 318.852 2.923 20 0 DFADRP c1cc(C[N@@H+](C[C@H]2CCC[NH2+]C2)[C@@H]2CC23CC[NH2+]CC3)cs1 ZINC000435432390 429140982 /nfs/dbraw/zinc/14/09/82/429140982.db2.gz MYKHVPXKLQCWAM-DOTOQJQBSA-N 3 0 319.518 2.692 20 0 DFADRP Cc1cc(C[NH3+])cc(NC(=O)N[C@@H](C)C[N@@H+]2CCC[C@@H](C)C2)c1 ZINC000424448464 429142304 /nfs/dbraw/zinc/14/23/04/429142304.db2.gz XZTWFNGIZFTVMP-HIFRSBDPSA-N 2 0 318.465 2.696 20 0 DFADRP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(CN3CC[NH+](C)CC3)cc2)[C@@H]1C ZINC000494927288 429165361 /nfs/dbraw/zinc/16/53/61/429165361.db2.gz ZUMFJPZYCBXBFL-GPMSIDNRSA-N 2 0 301.478 2.568 20 0 DFADRP C[C@@H]([NH2+]CC1CC[NH+](CCO)CC1)C12CC3CC(CC(C3)C1)C2 ZINC000495049221 429173224 /nfs/dbraw/zinc/17/32/24/429173224.db2.gz QZPIMRODJJUNDO-AYAHVVACSA-N 2 0 320.521 2.885 20 0 DFADRP CCC[NH+]1CCC([NH2+][C@@H]2c3ccccc3CC[C@H]2CO)CC1 ZINC000364583314 429229642 /nfs/dbraw/zinc/22/96/42/429229642.db2.gz VCWVTXUPMSCBNA-LPHOPBHVSA-N 2 0 302.462 2.746 20 0 DFADRP C[C@@H](C(=O)N1CC[NH+](C2CCCCC2)CC1)[NH+]1[C@H](C)CC[C@H]1C ZINC000488774022 429199657 /nfs/dbraw/zinc/19/96/57/429199657.db2.gz XIKDQABELYDNOV-ZACQAIPSSA-N 2 0 321.509 2.725 20 0 DFADRP c1cc(C[NH+]2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)n[nH]1 ZINC000364443533 429204246 /nfs/dbraw/zinc/20/42/46/429204246.db2.gz UKIADISYUQUCNT-UHFFFAOYSA-N 2 0 310.445 2.898 20 0 DFADRP Cc1ccc(F)cc1C[N@@H+]1CCN(C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000364640591 429240921 /nfs/dbraw/zinc/24/09/21/429240921.db2.gz XITZGXUMHVGJHS-MRXNPFEDSA-N 2 0 319.468 2.734 20 0 DFADRP [NH3+]CC[C@H]1CCC[N@H+](Cc2c[nH]nc2-c2ccccc2F)C1 ZINC000442929568 429241876 /nfs/dbraw/zinc/24/18/76/429241876.db2.gz RUMAOOXIWKBMRL-CYBMUJFWSA-N 2 0 302.397 2.777 20 0 DFADRP Cc1ccnc(NC[C@H]2CC[N@H+](C[C@H](O)c3ccccc3)C2)c1 ZINC000364728486 429256876 /nfs/dbraw/zinc/25/68/76/429256876.db2.gz SVKTVSYHXKAYGP-AEFFLSMTSA-N 2 0 311.429 2.857 20 0 DFADRP CC[N@H+](CC(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C)C1CC1 ZINC000456279863 429269845 /nfs/dbraw/zinc/26/98/45/429269845.db2.gz PSNDYTPWUTUUGV-QGZVFWFLSA-N 2 0 301.434 2.658 20 0 DFADRP c1cc2c(cc1C[NH2+]C[C@@H]1CC[N@@H+](C3CC3)C1)OCCCCO2 ZINC000449073510 429324649 /nfs/dbraw/zinc/32/46/49/429324649.db2.gz IVPCRGJKGCMGQZ-INIZCTEOSA-N 2 0 316.445 2.812 20 0 DFADRP C[NH2+][C@@H](CC(C)(C)C)C(=O)NCC(C)(C)[N@@H+]1CCC[C@@H](C)C1 ZINC000449098593 429331030 /nfs/dbraw/zinc/33/10/30/429331030.db2.gz KAQQUDJFOXLEJS-CABCVRRESA-N 2 0 311.514 2.637 20 0 DFADRP CC[N@H+](CCCO)C1CCN(c2cc(C)nc(C(C)C)n2)CC1 ZINC000365512453 429331643 /nfs/dbraw/zinc/33/16/43/429331643.db2.gz WWFJHDRVOVOERN-UHFFFAOYSA-N 2 0 320.481 2.582 20 0 DFADRP COCC1CCC([NH2+]CCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000449103349 429332587 /nfs/dbraw/zinc/33/25/87/429332587.db2.gz PSJIJNJVFODDIH-OQSMONGASA-N 2 0 312.498 2.671 20 0 DFADRP CC[C@H]([NH2+]Cc1cccnc1N1CC[NH+](C)CC1)C1CCCC1 ZINC000449108254 429335027 /nfs/dbraw/zinc/33/50/27/429335027.db2.gz TTYOVOXZIGMEPK-SFHVURJKSA-N 2 0 316.493 2.892 20 0 DFADRP C[C@@H](Cc1ccccc1)[NH+]1CCC([NH2+][C@@H]2CCCOC2)CC1 ZINC000449121463 429338863 /nfs/dbraw/zinc/33/88/63/429338863.db2.gz HURDSTYXXVIMNB-QFBILLFUSA-N 2 0 302.462 2.851 20 0 DFADRP CC(C)[C@@H](O)C[NH2+]C1CC[NH+]([C@H](C)Cc2ccccc2)CC1 ZINC000449143296 429343708 /nfs/dbraw/zinc/34/37/08/429343708.db2.gz PYSNAKCKMAVIIO-APWZRJJASA-N 2 0 304.478 2.689 20 0 DFADRP CCC[NH+](CCC)CCCC(=O)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000365302999 429297317 /nfs/dbraw/zinc/29/73/17/429297317.db2.gz RPBYNQFIPLZVKE-SFHVURJKSA-N 2 0 323.525 2.833 20 0 DFADRP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+][C@@H](C)[C@H](C)CO)CC1 ZINC000449165492 429346950 /nfs/dbraw/zinc/34/69/50/429346950.db2.gz WLBNVGRQZSCUIJ-ZACQAIPSSA-N 2 0 304.478 2.689 20 0 DFADRP COC1CCC([NH2+][C@@H]2CCCN(c3cc(C)nc(C)n3)C2)CC1 ZINC000365393986 429311854 /nfs/dbraw/zinc/31/18/54/429311854.db2.gz QUBASQYIXUIAJV-AQFXKWCLSA-N 2 0 318.465 2.609 20 0 DFADRP C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)C[C@@H]2CCCC[C@@H]2[NH3+])C1 ZINC000449337664 429392494 /nfs/dbraw/zinc/39/24/94/429392494.db2.gz QQRXFOGSTLLTFS-YVSFHVDLSA-N 2 0 323.525 2.767 20 0 DFADRP CC(C)OCC[NH+]1CCC(CC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000365884051 429395552 /nfs/dbraw/zinc/39/55/52/429395552.db2.gz HPGSVANUMRGXLR-IAGOWNOFSA-N 2 0 312.498 2.623 20 0 DFADRP C/C(=C/c1ccccc1)C[NH2+]CC1CC[NH+](CCN(C)C)CC1 ZINC000517929646 429405546 /nfs/dbraw/zinc/40/55/46/429405546.db2.gz YHRQQYGLNNUJPS-SDXDJHTJSA-N 2 0 315.505 2.953 20 0 DFADRP Cc1cccc(OCC[NH2+]Cc2cc(C3CC[NH2+]CC3)no2)c1 ZINC000425901881 429350064 /nfs/dbraw/zinc/35/00/64/429350064.db2.gz RCRZAMPBEVMRCK-UHFFFAOYSA-N 2 0 315.417 2.619 20 0 DFADRP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+]C[C@@H]2CCC[C@@H]2O)CC1 ZINC000449179163 429350299 /nfs/dbraw/zinc/35/02/99/429350299.db2.gz ZBZQLDKSUBXOMT-KPFFTGBYSA-N 2 0 316.489 2.833 20 0 DFADRP C[C@H](Cc1ccc(O)cc1)[NH2+]Cc1cc(C2CC[NH2+]CC2)no1 ZINC000425895977 429350783 /nfs/dbraw/zinc/35/07/83/429350783.db2.gz MGFIWCGSWDKEHB-CYBMUJFWSA-N 2 0 315.417 2.568 20 0 DFADRP O=C(NC[C@@H]1CCC[N@@H+]1C1CCCCC1)C12CCC[NH+]1CCC2 ZINC000365613165 429350883 /nfs/dbraw/zinc/35/08/83/429350883.db2.gz AMUARHWYHRNOOV-KRWDZBQOSA-N 2 0 319.493 2.528 20 0 DFADRP CC(C)[C@H]1OCCC[C@@H]1C[NH2+]Cc1cc(C2CC[NH2+]CC2)no1 ZINC000425902151 429351377 /nfs/dbraw/zinc/35/13/77/429351377.db2.gz RUEJRNZOZKNWFY-CRAIPNDOSA-N 2 0 321.465 2.682 20 0 DFADRP CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)C1(C[NH+](C)C)CCCCC1 ZINC000426708267 429410007 /nfs/dbraw/zinc/41/00/07/429410007.db2.gz IFIJASAESZVKON-IAGOWNOFSA-N 2 0 321.509 2.584 20 0 DFADRP CCN(CC[NH2+][C@@H]1C[C@@H](C)[N@H+](C)C[C@@H]1C)CCC(F)(F)F ZINC000426052897 429362016 /nfs/dbraw/zinc/36/20/16/429362016.db2.gz ULUVABFTQQFMBC-BFHYXJOUSA-N 2 0 309.420 2.579 20 0 DFADRP Cc1n[nH]c(CC[NH2+]C2CC[NH+](C(C)(C)CC(C)(C)C)CC2)n1 ZINC000449230417 429362840 /nfs/dbraw/zinc/36/28/40/429362840.db2.gz KSUFFJOVAIALDL-UHFFFAOYSA-N 2 0 321.513 2.924 20 0 DFADRP C[C@@H](Cc1ccoc1)[NH2+]Cc1ccccc1C[N@@H+]1CC[C@@H](O)C1 ZINC000449235069 429363423 /nfs/dbraw/zinc/36/34/23/429363423.db2.gz SOMCFDMGEVCUMN-HNAYVOBHSA-N 2 0 314.429 2.567 20 0 DFADRP COCC(C)(C)C[NH2+]Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000491471828 429363621 /nfs/dbraw/zinc/36/36/21/429363621.db2.gz OOPWOSLNCIVWSL-UHFFFAOYSA-N 2 0 320.477 2.923 20 0 DFADRP CCOCC[N@H+](C)C1CCN(c2cc(C)nc(C(C)C)n2)CC1 ZINC000365782099 429371690 /nfs/dbraw/zinc/37/16/90/429371690.db2.gz AUILYRXXOUHOBG-UHFFFAOYSA-N 2 0 320.481 2.846 20 0 DFADRP C[C@H](O)CCC[NH2+]C1CC[NH+]([C@@H](C)Cc2ccccc2)CC1 ZINC000449291595 429377555 /nfs/dbraw/zinc/37/75/55/429377555.db2.gz MPLMXDKRUDYRTA-IRXDYDNUSA-N 2 0 304.478 2.833 20 0 DFADRP C[C@H]1OCC[C@H]1[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000426296147 429379994 /nfs/dbraw/zinc/37/99/94/429379994.db2.gz XCNQNKFNMJDUGX-RXABAKJHSA-N 2 0 300.446 2.949 20 0 DFADRP COc1ccc(CC[C@H](C)[NH2+]CCC[NH+]2CCCC2)cc1O ZINC000426362494 429384442 /nfs/dbraw/zinc/38/44/42/429384442.db2.gz BDOWESRQEHQLJE-HNNXBMFYSA-N 2 0 306.450 2.797 20 0 DFADRP C[C@@H]1C[NH2+]C[C@H]1C(=O)Nc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000449318724 429386434 /nfs/dbraw/zinc/38/64/34/429386434.db2.gz DREZLUXBTNZJIH-IIDMSEBBSA-N 2 0 315.461 2.713 20 0 DFADRP CC1CC[NH+](CCCCNC(=O)C[C@@H]2CCCC[C@H]2[NH3+])CC1 ZINC000449324366 429387451 /nfs/dbraw/zinc/38/74/51/429387451.db2.gz DVFRWOBTPUKWLN-DLBZAZTESA-N 2 0 309.498 2.522 20 0 DFADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)C[C@@H]2CCCC[C@@H]2[NH3+])C1 ZINC000449325904 429388272 /nfs/dbraw/zinc/38/82/72/429388272.db2.gz QKFDSCNGBVWRTA-MHORFTMASA-N 2 0 323.525 2.768 20 0 DFADRP CC(C)[C@@H](C(=O)NC[C@H]1CCC[N@@H+]1CC1CCCCC1)[NH+](C)C ZINC000426392602 429388642 /nfs/dbraw/zinc/38/86/42/429388642.db2.gz XPBOIMKHJWUCCD-MSOLQXFVSA-N 2 0 323.525 2.734 20 0 DFADRP C[C@@H]1CCC[N@H+](Cc2ccc(NC(=O)/C=C\C[NH+](C)C)cc2)C1 ZINC000491686421 429390442 /nfs/dbraw/zinc/39/04/42/429390442.db2.gz QPCQBONVAATHHG-GMNBZTITSA-N 2 0 315.461 2.975 20 0 DFADRP C[C@H]1CCCC[C@@H]1[NH+]1CCC(NCC[N@H+]2CC=CCC2)CC1 ZINC000366251033 429440193 /nfs/dbraw/zinc/44/01/93/429440193.db2.gz UTTVZMJQRZLCJB-HKUYNNGSSA-N 2 0 305.510 2.881 20 0 DFADRP Cc1cc(C)n2c(C[NH2+]C(C)(C)CCC[NH+](C)C)cnc2n1 ZINC000449527241 429444719 /nfs/dbraw/zinc/44/47/19/429444719.db2.gz HBJUWQMRMQPXEY-UHFFFAOYSA-N 2 0 303.454 2.556 20 0 DFADRP C[N@@H+]1CCC[C@H](CC[NH2+][C@@H](c2nnc[nH]2)C2CCCCC2)C1 ZINC000519110498 429447867 /nfs/dbraw/zinc/44/78/67/429447867.db2.gz AGVKMLNWJKMJGI-GDBMZVCRSA-N 2 0 305.470 2.748 20 0 DFADRP CC(C)(C)[C@H]([NH3+])C(=O)NC1CC[NH+](CC2CCCCC2)CC1 ZINC000366334880 429447872 /nfs/dbraw/zinc/44/78/72/429447872.db2.gz RPKOWCMFOCAZMC-MRXNPFEDSA-N 2 0 309.498 2.521 20 0 DFADRP CC[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)[C@H](C)O ZINC000449541117 429447890 /nfs/dbraw/zinc/44/78/90/429447890.db2.gz JVQXCXCFCAMZFR-RMPXNZIMSA-N 2 0 302.462 2.931 20 0 DFADRP Cc1noc(C2CCC([NH2+]CCN3CCC[C@H](C)C3)CC2)n1 ZINC000366530866 429470968 /nfs/dbraw/zinc/47/09/68/429470968.db2.gz RGVDNSDJAIYFSI-JEYLPNPQSA-N 2 0 306.454 2.726 20 0 DFADRP CCc1cccc(C[NH2+]C[C@H](C)CN2CC[NH+](CC)CC2)c1 ZINC000519410419 429458715 /nfs/dbraw/zinc/45/87/15/429458715.db2.gz NYUKOWIKNBATAG-KRWDZBQOSA-N 2 0 303.494 2.612 20 0 DFADRP C[N@@H+]1CC[C@@]2(CCN(Cc3cnc([C@@H]4CCCO4)s3)C2)C1 ZINC000366489141 429461075 /nfs/dbraw/zinc/46/10/75/429461075.db2.gz KIFCDQVGQTWPDT-GOEBONIOSA-N 2 0 307.463 2.522 20 0 DFADRP C[N@@H+]1CC[C@]2(CCN(Cc3cnc([C@H]4CCCO4)s3)C2)C1 ZINC000366489144 429462312 /nfs/dbraw/zinc/46/23/12/429462312.db2.gz KIFCDQVGQTWPDT-ZBFHGGJFSA-N 2 0 307.463 2.522 20 0 DFADRP [NH3+][C@@H]1CCC[C@H](CNC(=O)c2cccc(C[NH+]3CCCC3)c2)C1 ZINC000449642868 429468649 /nfs/dbraw/zinc/46/86/49/429468649.db2.gz HFTJPJXKFOHFDX-MAUKXSAKSA-N 2 0 315.461 2.530 20 0 DFADRP CC[C@H](C)NC(=O)c1cccc(C[NH2+][C@@H](C)[C@@H]2CCC[NH2+]C2)c1 ZINC000519596468 429468932 /nfs/dbraw/zinc/46/89/32/429468932.db2.gz QQUBTSGUSSOIKZ-RLFYNMQTSA-N 2 0 317.477 2.693 20 0 DFADRP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+][C@H]2CC[C@@H](CO)C2)CC1 ZINC000449427785 429413075 /nfs/dbraw/zinc/41/30/75/429413075.db2.gz PDGYCEPSNGZWBB-POAQFYNOSA-N 2 0 316.489 2.833 20 0 DFADRP C[C@H](C[NH2+][C@H]1CCC[C@H](c2ccnn2C)C1)C[NH+]1CCCC1 ZINC000366075712 429413271 /nfs/dbraw/zinc/41/32/71/429413271.db2.gz XBIFWCKGSUPACB-IKGGRYGDSA-N 2 0 304.482 2.768 20 0 DFADRP C[C@@H](NC(=O)C1(C[NH+](C)C)CCCCC1)C(C)(C)C[NH+](C)C ZINC000426761938 429413687 /nfs/dbraw/zinc/41/36/87/429413687.db2.gz FSITVFXKZYPSQW-OAHLLOKOSA-N 2 0 311.514 2.591 20 0 DFADRP CCC[C@H]([NH3+])C(=O)NC[C@@H](CC(C)C)[NH2+][C@H](C)c1ccccc1 ZINC000518369878 429419775 /nfs/dbraw/zinc/41/97/75/429419775.db2.gz CYHMQSRESJJANS-NXHRZFHOSA-N 2 0 319.493 2.996 20 0 DFADRP COc1ccc(CN2CC[C@H]3[NH2+]CC[C@H]3C2)cc1OCC(C)C ZINC000427101207 429430877 /nfs/dbraw/zinc/43/08/77/429430877.db2.gz QDESDMVWWSTMLY-DLBZAZTESA-N 2 0 318.461 2.914 20 0 DFADRP Cc1ccc(C[N@@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)c(-c2ccnn2C)c1 ZINC000427121471 429433154 /nfs/dbraw/zinc/43/31/54/429433154.db2.gz ITKLREDLGVXSGO-SJLPKXTDSA-N 2 0 310.445 2.579 20 0 DFADRP C[N@H+](Cc1ccccc1)CC(C)(C)CN1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000427119878 429433737 /nfs/dbraw/zinc/43/37/37/429433737.db2.gz NNCWDPKVUJYDOZ-OALUTQOASA-N 2 0 315.505 2.828 20 0 DFADRP C[C@@H]([NH2+]CCC1CC[NH+](C2CCN(C)CC2)CC1)C1CCC1 ZINC000366211654 429434467 /nfs/dbraw/zinc/43/44/67/429434467.db2.gz SWFJPNYZWIIORO-MRXNPFEDSA-N 2 0 307.526 2.961 20 0 DFADRP C[C@H]1CCC[C@H](C)N1C(=O)C[N@@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000366866708 429530130 /nfs/dbraw/zinc/53/01/30/429530130.db2.gz RUDHPQPHYFVOPH-IRXDYDNUSA-N 2 0 321.509 2.584 20 0 DFADRP C[N@@H+]1CCN(CCC[NH2+]CC2(C)CC2)[C@@H](c2ccccc2)C1 ZINC000519798306 429489163 /nfs/dbraw/zinc/48/91/63/429489163.db2.gz QDBYUNBBBGMFKF-GOSISDBHSA-N 2 0 301.478 2.755 20 0 DFADRP C[N@H+](CC1CC1)C[C@H]1CC[NH+](CCN2CCc3ccccc32)C1 ZINC000428201642 429499006 /nfs/dbraw/zinc/49/90/06/429499006.db2.gz BSBWHSFBHKYKDL-GOSISDBHSA-N 2 0 313.489 2.713 20 0 DFADRP C[N@H+](CC1CC1)C[C@@H]1CC[NH+](CCN2CCc3ccccc32)C1 ZINC000428201652 429499376 /nfs/dbraw/zinc/49/93/76/429499376.db2.gz BSBWHSFBHKYKDL-SFHVURJKSA-N 2 0 313.489 2.713 20 0 DFADRP CC[N@H+](CCC1CCN(C(=O)/C=C\C[NH+](C)C)CC1)CC(C)C ZINC000492323619 429513061 /nfs/dbraw/zinc/51/30/61/429513061.db2.gz OBACEYJQQCVFGP-FPLPWBNLSA-N 2 0 323.525 2.711 20 0 DFADRP CC(C)[N@H+](C)CCCNC(=O)[C@@H]1CCCC[NH+]1C1CCCC1 ZINC000449803886 429514931 /nfs/dbraw/zinc/51/49/31/429514931.db2.gz QBMVIQDFKYFWHK-KRWDZBQOSA-N 2 0 309.498 2.630 20 0 DFADRP c1ccc(CSCC[NH2+]C[C@H]2CN3CCCC[C@H]3CO2)cc1 ZINC000366815681 429518736 /nfs/dbraw/zinc/51/87/36/429518736.db2.gz YWLJUYCQOUCILP-ROUUACIJSA-N 2 0 320.502 2.763 20 0 DFADRP CCCCNC(=[NH2+])NC[C@]1(C)CC[N@H+](Cc2ccccc2)C1 ZINC000366817872 429520700 /nfs/dbraw/zinc/52/07/00/429520700.db2.gz IDMPEUNMHGFQJP-SFHVURJKSA-N 2 0 302.466 2.813 20 0 DFADRP Fc1ccc2nc(C[NH2+]CCCC[NH+]3CCOCC3)sc2c1 ZINC000428847635 429555755 /nfs/dbraw/zinc/55/57/55/429555755.db2.gz GGRGQQNBIDRQPU-UHFFFAOYSA-N 2 0 323.437 2.637 20 0 DFADRP Cc1nccn1C[C@H]1CCC[N@@H+]1Cc1ccc2c(c1)C[NH2+]CC2 ZINC000522007207 429576478 /nfs/dbraw/zinc/57/64/78/429576478.db2.gz CUAHIDAISHKUKF-LJQANCHMSA-N 3 0 310.445 2.502 20 0 DFADRP CC(C)n1nccc1[C@H]1OCC[C@@H]1[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000492816128 429620828 /nfs/dbraw/zinc/62/08/28/429620828.db2.gz LDFCBJQUYJOXDY-OVWQWFNUSA-N 2 0 318.465 2.510 20 0 DFADRP CC(C)[NH+]1CCC([NH2+][C@H]2CCOC3(CCSCC3)C2)CC1 ZINC000359728272 275941451 /nfs/dbraw/zinc/94/14/51/275941451.db2.gz KOLYPPJCFJEXAM-INIZCTEOSA-N 2 0 312.523 2.894 20 0 DFADRP C(CC[NH+]1CCC[C@@]12CCOC2)CC[N@@H+]1CCC[C@]12CCOC2 ZINC000367459688 429651466 /nfs/dbraw/zinc/65/14/66/429651466.db2.gz VJKADHPQUYLWLJ-KDURUIRLSA-N 2 0 322.493 2.667 20 0 DFADRP CN1CCC([NH+]2CCC(CC[NH2+][C@@H]3CCC[C@H]4C[C@H]43)CC2)CC1 ZINC000367183500 429594491 /nfs/dbraw/zinc/59/44/91/429594491.db2.gz CFDPHKFLUJSRFN-DFQSSKMNSA-N 2 0 319.537 2.961 20 0 DFADRP CC(C)[N@H+](C)CC1CCN(C(=O)[C@H](C)[NH+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000523115928 429600474 /nfs/dbraw/zinc/60/04/74/429600474.db2.gz GAPDUMYSBYNUCQ-BBWFWOEESA-N 2 0 323.525 2.827 20 0 DFADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]C[C@@]1(CO)C[C@@H]1c1ccc(F)cc1 ZINC000429430559 429607149 /nfs/dbraw/zinc/60/71/49/429607149.db2.gz RYBCDTQAWCKBDL-XABSUIGJSA-N 2 0 320.452 2.610 20 0 DFADRP C[C@H]([NH3+])c1ccc(CNC(=O)c2cccc(C[NH+](C)C)c2)cc1 ZINC000429483086 429611606 /nfs/dbraw/zinc/61/16/06/429611606.db2.gz JTMBSKNLJVOJQE-AWEZNQCLSA-N 2 0 311.429 2.698 20 0 DFADRP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@@H+]2C[C@@H]1CCC(F)(F)C1 ZINC000450600353 429659153 /nfs/dbraw/zinc/65/91/53/429659153.db2.gz NLLIBECSKFREPT-KBUPBQIOSA-N 2 0 302.409 2.605 20 0 DFADRP CC(C)[C@H](C(=O)N[C@H]1CC[N@@H+](C2CCCC2)C1)[NH+]1CCCCC1 ZINC000359067288 276013841 /nfs/dbraw/zinc/01/38/41/276013841.db2.gz VWXKEDKWJWRWRT-FUHWJXTLSA-N 2 0 321.509 2.630 20 0 DFADRP C[C@@H]1C[N@H+](CC23CCC(CC2)C3)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000450640749 429668415 /nfs/dbraw/zinc/66/84/15/429668415.db2.gz GWNDGZJZCGJRLT-RRENTHDGSA-N 2 0 305.510 2.525 20 0 DFADRP CCC[C@H]([NH3+])C(=O)NCC[C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000353753635 276043059 /nfs/dbraw/zinc/04/30/59/276043059.db2.gz MCTLREPFHZMMQJ-JQHSSLGASA-N 2 0 317.477 2.531 20 0 DFADRP CC(C)c1ccc(C[NH2+][C@H](C)CCN2CC[NH+](C)CC2)cc1 ZINC000185871864 276053650 /nfs/dbraw/zinc/05/36/50/276053650.db2.gz AWDNWQMQIFXKIR-QGZVFWFLSA-N 2 0 303.494 2.926 20 0 DFADRP CCN(C(=O)CC(C)(C)[NH3+])[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000368453507 276060349 /nfs/dbraw/zinc/06/03/49/276060349.db2.gz KNYCDUDGIJDPEU-NVXWUHKLSA-N 2 0 317.477 2.798 20 0 DFADRP CC(C)n1ncc2c1C[C@H]([NH2+][C@H]1CC[N@@H+]3CCC[C@H]3C1)CC2 ZINC000358018496 276089559 /nfs/dbraw/zinc/08/95/59/276089559.db2.gz AWJMHFUEKGCHGY-IKGGRYGDSA-N 2 0 302.466 2.538 20 0 DFADRP CC[N@@H+]1CCCC[C@H]1C(=O)N1CC[NH+](C2CCC(C)CC2)CC1 ZINC000360032031 276158563 /nfs/dbraw/zinc/15/85/63/276158563.db2.gz RTJNVDFKCSOGMD-ABHNRTSZSA-N 2 0 321.509 2.584 20 0 DFADRP CC1=CCC[C@H](C)[C@@H]1C[N@@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000364864503 276180047 /nfs/dbraw/zinc/18/00/47/276180047.db2.gz CVOHVJHZDFPRFQ-HAGHYFMRSA-N 2 0 319.537 2.937 20 0 DFADRP CC[NH+]1CCN([C@@H]2CC[N@H+](Cc3ccccc3Cl)C2)CC1 ZINC000107371821 276198223 /nfs/dbraw/zinc/19/82/23/276198223.db2.gz UOGLSMIVMRYJOH-MRXNPFEDSA-N 2 0 307.869 2.552 20 0 DFADRP CSc1ccccc1NC(=O)[C@H](C)N1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000430543865 429689464 /nfs/dbraw/zinc/68/94/64/429689464.db2.gz NLZUINNQQQOJHI-MELADBBJSA-N 2 0 321.490 2.795 20 0 DFADRP CC[N@@H+]1CC[C@H](NC2CC[NH+](CC3CCCC3)CC2)[C@@H](C)C1 ZINC000246872455 276227982 /nfs/dbraw/zinc/22/79/82/276227982.db2.gz CPMDHLSJCNPICF-LPHOPBHVSA-N 2 0 307.526 2.961 20 0 DFADRP CCC[C@@H](C(=O)N1CCC[C@@H](C[NH+]2CCCCCC2)C1)[NH+](C)C ZINC000133864016 276268631 /nfs/dbraw/zinc/26/86/31/276268631.db2.gz OWOJNKIPFRDCRE-ROUUACIJSA-N 2 0 323.525 2.831 20 0 DFADRP C[N@@H+]1CC[C@H](NCc2ccn(C3CCCC3)n2)[C@H]2CCC[C@H]21 ZINC000367611289 429685552 /nfs/dbraw/zinc/68/55/52/429685552.db2.gz BNNZZHHCMBVJIO-FGTMMUONSA-N 2 0 302.466 2.961 20 0 DFADRP Cc1nc2ccccc2n1CC[NH2+][C@@H]1CC[N@@H+](C)[C@H]2CCC[C@H]21 ZINC000367613174 429685723 /nfs/dbraw/zinc/68/57/23/429685723.db2.gz BRUNJJWXJUIQGG-JZXOWHBKSA-N 3 0 312.461 2.807 20 0 DFADRP C[C@@H]1CCC[C@H](C[N@@H+]2CCC[C@@H](CN3CC[NH+](C)CC3)C2)C1 ZINC000367624903 429687669 /nfs/dbraw/zinc/68/76/69/429687669.db2.gz YNACGEAKGRYPEG-QYZOEREBSA-N 2 0 307.526 2.772 20 0 DFADRP C[N@@H+]1CC[C@H]([NH2+]Cc2cnn(Cc3ccccc3)c2)[C@H]2CCC[C@@H]21 ZINC000367624629 429688133 /nfs/dbraw/zinc/68/81/33/429688133.db2.gz WJDHYFBHFCSLAU-AABGKKOBSA-N 2 0 324.472 2.894 20 0 DFADRP CSc1ccccc1NC(=O)CCN1CCC[C@H](C)[C@H]1C[NH3+] ZINC000430551786 429688826 /nfs/dbraw/zinc/68/88/26/429688826.db2.gz ISYHTKXJLQYGQZ-DZGCQCFKSA-N 2 0 321.490 2.796 20 0 DFADRP C[N@@H+]1CC[C@H]([NH2+]CC[C@](C)(O)c2ccccc2)[C@H]2CCC[C@H]21 ZINC000367631756 429688921 /nfs/dbraw/zinc/68/89/21/429688921.db2.gz FFGGLTNRHMOZBQ-HCXYKTFWSA-N 2 0 302.462 2.747 20 0 DFADRP C[C@@](C[NH3+])([NH2+]CCOc1ccc(C(F)(F)F)cc1)C1CC1 ZINC000430596851 429699226 /nfs/dbraw/zinc/69/92/26/429699226.db2.gz XTPRWGHTBLULJJ-AWEZNQCLSA-N 2 0 302.340 2.801 20 0 DFADRP CC[NH+](CC)CC(=O)N1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000157677424 276321545 /nfs/dbraw/zinc/32/15/45/276321545.db2.gz GQUYINYUNNFHON-QGZVFWFLSA-N 2 0 323.525 2.831 20 0 DFADRP CC(C)[C@@H]([NH3+])CC[N@H+](C)CCCc1nc(-c2ccccc2)no1 ZINC000430591525 429698357 /nfs/dbraw/zinc/69/83/57/429698357.db2.gz KIBZBNNAICMGHQ-INIZCTEOSA-N 2 0 316.449 2.974 20 0 DFADRP [NH3+]C1CCN([C@H](C(=O)Nc2ccccc2)c2ccccc2)CC1 ZINC000430635014 429704198 /nfs/dbraw/zinc/70/41/98/429704198.db2.gz FPZLNQHWIWUJLB-SFHVURJKSA-N 2 0 309.413 2.790 20 0 DFADRP [NH3+][C@@H]1CCCCCC[C@H]1C(=O)N1CCC([NH+]2CCCCC2)CC1 ZINC000430768264 429716869 /nfs/dbraw/zinc/71/68/69/429716869.db2.gz YKOLDGDQPCBSQG-QZTJIDSGSA-N 2 0 321.509 2.761 20 0 DFADRP CC[N@@H+]1CC[C@H](N(C)C(=O)[C@H](C)[C@H]([NH3+])c2ccccc2)C[C@@H]1C ZINC000430797353 429716979 /nfs/dbraw/zinc/71/69/79/429716979.db2.gz OMTBLZVFQZNEEQ-MVJTYMMSSA-N 2 0 317.477 2.654 20 0 DFADRP C[NH2+]CC1CC[NH+](CC(=O)Nc2cccc3ccccc32)CC1 ZINC000430918794 429723214 /nfs/dbraw/zinc/72/32/14/429723214.db2.gz IVMVXPGGSQPIAD-UHFFFAOYSA-N 2 0 311.429 2.710 20 0 DFADRP C[NH2+]C[C@@H]1CC[N@H+](CCC(=O)Nc2cccc3ccccc32)C1 ZINC000430931437 429724378 /nfs/dbraw/zinc/72/43/78/429724378.db2.gz CYHZUNDRTPVHPH-HNNXBMFYSA-N 2 0 311.429 2.710 20 0 DFADRP Fc1ccc(-n2nccc2C[NH+]2CCC3(CC[NH2+]C3)CC2)cc1 ZINC000430925320 429724559 /nfs/dbraw/zinc/72/45/59/429724559.db2.gz KKOGYKPIYMISPT-UHFFFAOYSA-N 2 0 314.408 2.587 20 0 DFADRP C[NH2+]CC1CC[NH+]([C@@H](C)C(=O)Nc2ccc(C)cc2C)CC1 ZINC000430923592 429725222 /nfs/dbraw/zinc/72/52/22/429725222.db2.gz FFEBUGUBFRZPDN-HNNXBMFYSA-N 2 0 303.450 2.562 20 0 DFADRP CCOc1ccc(C[NH+]2CCC3(CC[NH2+]C3)CC2)cc1OC ZINC000430942459 429727080 /nfs/dbraw/zinc/72/70/80/429727080.db2.gz LYRAWXBZJAXYMI-UHFFFAOYSA-N 2 0 304.434 2.669 20 0 DFADRP CCC[C@H](NC(=O)C[NH+]1CCC([C@@H](C)[NH3+])CC1)c1ccccc1 ZINC000430937321 429728090 /nfs/dbraw/zinc/72/80/90/429728090.db2.gz AWRQROFHACHWKP-QAPCUYQASA-N 2 0 317.477 2.703 20 0 DFADRP CC(C)CC[C@@H](O)C[N@@H+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000482844704 429728414 /nfs/dbraw/zinc/72/84/14/429728414.db2.gz PSNRNRVCTXVKGB-HSALFYBXSA-N 2 0 316.489 2.847 20 0 DFADRP Cc1ccc([C@H](C)NC(=O)C[NH+]2CCC([C@H](C)[NH3+])CC2)cc1C ZINC000430965348 429731870 /nfs/dbraw/zinc/73/18/70/429731870.db2.gz IVRQJNSMXOEAKH-HOTGVXAUSA-N 2 0 317.477 2.540 20 0 DFADRP C[C@H]1C[N@H+](CCC(=O)Nc2cccc3ccccc32)CC[C@H]1[NH3+] ZINC000430964948 429732358 /nfs/dbraw/zinc/73/23/58/429732358.db2.gz JUTKUYVGHXVAJG-WMLDXEAASA-N 2 0 311.429 2.838 20 0 DFADRP CCNC(=O)C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCCN1C(C)C ZINC000450937525 429734784 /nfs/dbraw/zinc/73/47/84/429734784.db2.gz IAWASKRZZGMTSM-IRXDYDNUSA-N 2 0 309.498 2.630 20 0 DFADRP C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)C2([NH3+])CCCCC2)C1 ZINC000431062424 429737729 /nfs/dbraw/zinc/73/77/29/429737729.db2.gz QCTLHQKCCFCFNS-DOTOQJQBSA-N 2 0 315.461 2.600 20 0 DFADRP C[NH+]1CCC(N[C@H]2C[C@H](C3CC3)[N@H+](Cc3ccccc3)C2)CC1 ZINC000367893976 429737805 /nfs/dbraw/zinc/73/78/05/429737805.db2.gz AOKUDSYQTSXWOR-VQTJNVASSA-N 2 0 313.489 2.723 20 0 DFADRP C[C@@H]1[C@H](Cc2ccccc2)CC[N@@H+]1Cc1nc(C(C)(C)[NH3+])no1 ZINC000431095499 429741299 /nfs/dbraw/zinc/74/12/99/429741299.db2.gz FUUPPVFWCGLIQJ-HIFRSBDPSA-N 2 0 314.433 2.717 20 0 DFADRP Cc1ccccc1[C@H]1CC[N@H+](Cc2nc(C(C)(C)[NH3+])no2)C1 ZINC000431087173 429741957 /nfs/dbraw/zinc/74/19/57/429741957.db2.gz VMSYBRLOWZRNHQ-ZDUSSCGKSA-N 2 0 300.406 2.561 20 0 DFADRP C[NH+](C)CCCN[C@H]1C[C@H](C2CC2)[N@H+](Cc2ccccc2)C1 ZINC000367909242 429742236 /nfs/dbraw/zinc/74/22/36/429742236.db2.gz FWLZCAJBTYYVJZ-RBUKOAKNSA-N 2 0 301.478 2.581 20 0 DFADRP CCC[N@H+](CCC(=O)Nc1ccc(F)cc1)C1CC[NH2+]CC1 ZINC000431085183 429742648 /nfs/dbraw/zinc/74/26/48/429742648.db2.gz MZCFBMCZUJJRNC-UHFFFAOYSA-N 2 0 307.413 2.618 20 0 DFADRP CCc1nn(C)c(Cl)c1C[N@@H+]1CC[C@H](C2CC[NH+](C)CC2)C1 ZINC000368135993 429796268 /nfs/dbraw/zinc/79/62/68/429796268.db2.gz SIDVHWYXMJUFBZ-AWEZNQCLSA-N 2 0 324.900 2.800 20 0 DFADRP CCCCC[C@@H]1CCC[N@@H+]1CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000486812013 429750890 /nfs/dbraw/zinc/75/08/90/429750890.db2.gz YCKQFMMGCGHLIZ-QGZVFWFLSA-N 2 0 321.509 2.774 20 0 DFADRP Cc1n[nH]cc1CN1C[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000367958556 429751876 /nfs/dbraw/zinc/75/18/76/429751876.db2.gz DPNPLVBLPOKZSY-MJGOQNOKSA-N 2 0 310.445 2.672 20 0 DFADRP CCCCC[C@H]1CCC[N@@H+]1CC(=O)NC1CC[NH+](CC)CC1 ZINC000486813696 429752142 /nfs/dbraw/zinc/75/21/42/429752142.db2.gz VQTITDYGNYODGO-KRWDZBQOSA-N 2 0 309.498 2.632 20 0 DFADRP CC(C)(C)[NH+]1CCC([NH2+][C@H]2COc3ccc(F)cc3C2)CC1 ZINC000368006870 429764139 /nfs/dbraw/zinc/76/41/39/429764139.db2.gz OQODWBBSPVDYKG-MRXNPFEDSA-N 2 0 306.425 2.982 20 0 DFADRP Cc1ccncc1CCC[N@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@H]21 ZINC000368025958 429770761 /nfs/dbraw/zinc/77/07/61/429770761.db2.gz YTLOXFHJKOXOIX-GUDVDZBRSA-N 2 0 317.477 2.506 20 0 DFADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)CC[C@H]2CCCC[NH+]2C)C1 ZINC000431725961 429779472 /nfs/dbraw/zinc/77/94/72/429779472.db2.gz OUTMNCFPPTXFQH-FGTMMUONSA-N 2 0 323.525 2.735 20 0 DFADRP C[C@@H](CNC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1)C[NH+]1CCCC1 ZINC000431724964 429779574 /nfs/dbraw/zinc/77/95/74/429779574.db2.gz XWCMKKKYDIZSOR-FUHWJXTLSA-N 2 0 321.509 2.632 20 0 DFADRP C[NH+](C)[C@@H]1CCCN(C(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)CC1 ZINC000451194659 429785558 /nfs/dbraw/zinc/78/55/58/429785558.db2.gz WHZLOXBSDLUAOD-SJLPKXTDSA-N 2 0 321.509 2.726 20 0 DFADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@]2(C)COc3ccccc3O2)[C@@H](C)C1 ZINC000527927998 429821487 /nfs/dbraw/zinc/82/14/87/429821487.db2.gz DAFGUKRPFLCQNY-RLFYNMQTSA-N 2 0 304.434 2.536 20 0 DFADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]CC[C@H]2CCCOC2)[C@@H](C)C1 ZINC000527923652 429821847 /nfs/dbraw/zinc/82/18/47/429821847.db2.gz DIBWWEGRMVEJQJ-KSZLIROESA-N 2 0 312.498 2.530 20 0 DFADRP C(NC1CC[NH+](CC2CC2)CC1)[C@H]1CC[N@@H+]1C1CCCCC1 ZINC000527946601 429825114 /nfs/dbraw/zinc/82/51/14/429825114.db2.gz HTWWGODESYKUGI-LJQANCHMSA-N 2 0 305.510 2.857 20 0 DFADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC12CC(C1)CO2 ZINC000527976293 429829225 /nfs/dbraw/zinc/82/92/25/429829225.db2.gz DJKVKUAKERHXGE-IZIZEDOESA-N 2 0 300.446 2.666 20 0 DFADRP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC12CC(C1)CO2 ZINC000527976295 429829258 /nfs/dbraw/zinc/82/92/58/429829258.db2.gz DJKVKUAKERHXGE-WEOZKBJRSA-N 2 0 300.446 2.666 20 0 DFADRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H]2C[C@]2(C)OC(C)C)[C@@H](C)C1 ZINC000527998361 429833516 /nfs/dbraw/zinc/83/35/16/429833516.db2.gz MFGONXWPTUADEO-FJIDUMEYSA-N 2 0 312.498 2.669 20 0 DFADRP Cc1ncc(C[N@@H+]2CC[C@H](Nc3cc[nH+]c(C)c3)[C@H](C)C2)s1 ZINC000368410505 429843914 /nfs/dbraw/zinc/84/39/14/429843914.db2.gz LLRZNCGUDBKVKF-PXAZEXFGSA-N 2 0 316.474 2.899 20 0 DFADRP CC(=O)N1CCCN(C[C@@H]2CCC[N@@H+]([C@H](C)CC(C)C)C2)CC1 ZINC000451529152 429844609 /nfs/dbraw/zinc/84/46/09/429844609.db2.gz MJFKJSFCZHCMET-MJGOQNOKSA-N 2 0 323.525 2.687 20 0 DFADRP O[C@@]1(c2ccc(F)cc2)CCN(CCC[NH+]2CCCCC2)C1 ZINC000368421303 429846893 /nfs/dbraw/zinc/84/68/93/429846893.db2.gz ZKCYLWZSPIVKLO-SFHVURJKSA-N 2 0 306.425 2.595 20 0 DFADRP C[C@H](CC(=O)N(C)c1ccccc1)[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000368445212 429850329 /nfs/dbraw/zinc/85/03/29/429850329.db2.gz ITNNDCRKWAOJEX-SOLBZPMBSA-N 2 0 315.461 2.644 20 0 DFADRP C[C@H](CC(=O)N(C)c1ccccc1)[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000368445211 429851134 /nfs/dbraw/zinc/85/11/34/429851134.db2.gz ITNNDCRKWAOJEX-RYRKJORJSA-N 2 0 315.461 2.644 20 0 DFADRP COc1ccc2c(c1)OCCC[C@@H]2[NH2+][C@@H]1CN(C2CC2)C[C@@H]1C ZINC000368482624 429854598 /nfs/dbraw/zinc/85/45/98/429854598.db2.gz NSGYPZBIWAELIF-DOPJRALCSA-N 2 0 316.445 2.981 20 0 DFADRP CC[NH+](CC)Cc1cccc(NC(=O)[C@@]2(CC)CC[NH2+]C2)c1 ZINC000368510288 429858910 /nfs/dbraw/zinc/85/89/10/429858910.db2.gz NNISZDDWJQYCPZ-SFHVURJKSA-N 2 0 303.450 2.857 20 0 DFADRP Cc1cc([C@H]2CCC[N@H+]2CCCN2CC[NH+](C(C)C)CC2)no1 ZINC000368520710 429860845 /nfs/dbraw/zinc/86/08/45/429860845.db2.gz XWDNFZUVAVQCFS-GOSISDBHSA-N 2 0 320.481 2.536 20 0 DFADRP CC(C)n1cc(CNC[C@H]2CC[N@H+](C)[C@@H]2c2ccccc2)nn1 ZINC000368559254 429866587 /nfs/dbraw/zinc/86/65/87/429866587.db2.gz ZOANBQUNTCWTAX-SJLPKXTDSA-N 2 0 313.449 2.642 20 0 DFADRP CO[C@H](CN1CC[C@H]2[C@H](CCC[N@@H+]2C)C1)c1ccc(F)cc1 ZINC000528408371 429886183 /nfs/dbraw/zinc/88/61/83/429886183.db2.gz UQACDEIELRBHCE-BPQIPLTHSA-N 2 0 306.425 2.929 20 0 DFADRP CC[N@@H+]1CCCC[C@H]1C(=O)N1CCC[C@H](C[NH+]2CCCCC2)C1 ZINC000369021048 429908300 /nfs/dbraw/zinc/90/83/00/429908300.db2.gz GXFAIHFYTGZEQA-MSOLQXFVSA-N 2 0 321.509 2.585 20 0 DFADRP COC(=O)c1ccc(C[N@@H+]2CCCC3(CC[NH+](C)CC3)C2)cc1 ZINC000369199609 429918976 /nfs/dbraw/zinc/91/89/76/429918976.db2.gz YOHWCZMHZPLPPB-UHFFFAOYSA-N 2 0 316.445 2.781 20 0 DFADRP c1ccc(CC[N@@H+]2CC[C@@H](C[NH2+]C[C@@H]3CCSC3)C2)cc1 ZINC000369328466 429924010 /nfs/dbraw/zinc/92/40/10/429924010.db2.gz BDZYTGYKENZEAW-ROUUACIJSA-N 2 0 304.503 2.894 20 0 DFADRP [NH3+][C@H]1CCO[C@H](C2CC[NH+](Cc3cnc(C4CC4)s3)CC2)C1 ZINC000556963841 429924164 /nfs/dbraw/zinc/92/41/64/429924164.db2.gz LXPOWABJUWTMKZ-HOCLYGCPSA-N 2 0 321.490 2.739 20 0 DFADRP CCc1ccccc1CC[N@@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@@H]21 ZINC000369348042 429928007 /nfs/dbraw/zinc/92/80/07/429928007.db2.gz GUNISXKJLTXSQQ-SLFFLAALSA-N 2 0 316.489 2.975 20 0 DFADRP C[C@H](C[C@H](C)NC(=O)OC(C)(C)C)[NH2+]C[C@@H]1CCC[N@H+](C)C1 ZINC000494467950 429875206 /nfs/dbraw/zinc/87/52/06/429875206.db2.gz GYHQOSIUILRGTA-ILXRZTDVSA-N 2 0 313.486 2.610 20 0 DFADRP C[N@H+](Cc1ccccc1)C1CCC([NH2+]C2(CO)CCC2)CC1 ZINC000368606034 429876495 /nfs/dbraw/zinc/87/64/95/429876495.db2.gz CJJGPDNRSGHEAS-UHFFFAOYSA-N 2 0 302.462 2.934 20 0 DFADRP CN(C)CC[NH2+][C@@H]1CCCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000558253777 429965753 /nfs/dbraw/zinc/96/57/53/429965753.db2.gz FAADWEWOGUQVMT-SLFFLAALSA-N 2 0 315.505 2.828 20 0 DFADRP C[NH+](C)[C@H](CNC(=O)CC[C@H]1CCCC[N@@H+]1C)c1ccccc1 ZINC000558348675 429967389 /nfs/dbraw/zinc/96/73/89/429967389.db2.gz CMJKTDNYNVWJEK-QZTJIDSGSA-N 2 0 317.477 2.670 20 0 DFADRP C[NH+]1CCC2(CC[N@H+](CCC(=O)Nc3ccc(F)cc3)C2)CC1 ZINC000639757156 429970120 /nfs/dbraw/zinc/97/01/20/429970120.db2.gz HLCJDWHOXMLQPX-UHFFFAOYSA-N 2 0 319.424 2.572 20 0 DFADRP CN(CC[N@@H+]1CCC2(C1)CC[NH+](C)CC2)Cc1ccccc1 ZINC000639755770 429971547 /nfs/dbraw/zinc/97/15/47/429971547.db2.gz MPSJLCANWLBTJP-UHFFFAOYSA-N 2 0 301.478 2.536 20 0 DFADRP C[NH+]1CCC2(CC[N@H+](CCC(=O)Nc3ccccc3F)C2)CC1 ZINC000639758227 429972840 /nfs/dbraw/zinc/97/28/40/429972840.db2.gz RBSYHOVWTGKLIP-UHFFFAOYSA-N 2 0 319.424 2.572 20 0 DFADRP C[NH+]1CCC2(CCN(Cc3nc(-c4cccs4)no3)C2)CC1 ZINC000639759733 429973201 /nfs/dbraw/zinc/97/32/01/429973201.db2.gz IANBMNHUZYNOIU-UHFFFAOYSA-N 2 0 318.446 2.716 20 0 DFADRP C[C@@H]1OCC[C@@H]1C[NH+]1CCN(c2cc[nH+]c3ccccc32)CC1 ZINC000639642624 429930111 /nfs/dbraw/zinc/93/01/11/429930111.db2.gz VQEFOCNBWYARLO-JKSUJKDBSA-N 2 0 311.429 2.782 20 0 DFADRP CCc1noc(C)c1C[N@@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC000639681998 429944392 /nfs/dbraw/zinc/94/43/92/429944392.db2.gz DLYFBDCCFKMAGL-UHFFFAOYSA-N 2 0 300.406 2.653 20 0 DFADRP CC(=O)Nc1cccc(C[N@@H+]2CCCN(c3cc[nH+]cc3)CC2)c1 ZINC000639682715 429945165 /nfs/dbraw/zinc/94/51/65/429945165.db2.gz KUNSYQALQIEENV-UHFFFAOYSA-N 2 0 324.428 2.752 20 0 DFADRP CCOc1ccc(C[N@@H+]2CCCN(c3cc[nH+]cc3)CC2)nc1 ZINC000639683386 429946172 /nfs/dbraw/zinc/94/61/72/429946172.db2.gz XTVYQOMTKLVIAA-UHFFFAOYSA-N 2 0 312.417 2.588 20 0 DFADRP C[NH+](C)CCN1CCC([NH2+][C@H]2CC(C)(C)Cc3occc32)CC1 ZINC000150966091 276789316 /nfs/dbraw/zinc/78/93/16/276789316.db2.gz CPUAFFAMJXSPMW-KRWDZBQOSA-N 2 0 319.493 2.909 20 0 DFADRP CCn1nccc1CCN1CCC(CC)([NH+]2CCCC2)CC1 ZINC000639986453 430045424 /nfs/dbraw/zinc/04/54/24/430045424.db2.gz NCXYHLLOZFSUNK-UHFFFAOYSA-N 2 0 304.482 2.786 20 0 DFADRP CCC1([NH+]2CCCC2)CCN(CC(=O)N2CCC[C@@H](C)C2)CC1 ZINC000639987873 430046794 /nfs/dbraw/zinc/04/67/94/430046794.db2.gz JCYQQWVXHWWLSM-QGZVFWFLSA-N 2 0 321.509 2.585 20 0 DFADRP Cc1ccc(CN2CC[C@H]([NH2+][C@H](C)C3CC[NH+](C)CC3)C2)cc1 ZINC000631748717 429989527 /nfs/dbraw/zinc/98/95/27/429989527.db2.gz JSWZNVAJFMOOEC-XLIONFOSSA-N 2 0 315.505 2.889 20 0 DFADRP C([NH2+][C@@H]1[C@H]2CCO[C@H]2C12CCCC2)C1CC[NH+](C2CC2)CC1 ZINC000369729573 276815870 /nfs/dbraw/zinc/81/58/70/276815870.db2.gz LVOJQRWHSJLYJC-KZNAEPCWSA-N 2 0 304.478 2.798 20 0 DFADRP COc1ccc(C[N@@H+]2CC[C@H](C3CC[NH+](C)CC3)C2)c(F)c1 ZINC000574092034 430008954 /nfs/dbraw/zinc/00/89/54/430008954.db2.gz QZFGFRIJLAQMIE-HNNXBMFYSA-N 2 0 306.425 2.998 20 0 DFADRP COc1cc([C@H](C)[NH2+]CCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)ccn1 ZINC000559917490 430015984 /nfs/dbraw/zinc/01/59/84/430015984.db2.gz PUKYXZBMLWDNFG-XHSDSOJGSA-N 2 0 321.465 2.630 20 0 DFADRP C[NH+](C)Cc1cccc(C[NH2+]C[C@@H](O)Cc2ccc(F)cc2)c1 ZINC000574191660 430020503 /nfs/dbraw/zinc/02/05/03/430020503.db2.gz HWLPHNZVDJMILW-IBGZPJMESA-N 2 0 316.420 2.581 20 0 DFADRP C[C@@H]([NH2+]C1CC[NH+](C[C@@H]2CCOC2)CC1)C1CC(F)(F)C1 ZINC000529548242 430025936 /nfs/dbraw/zinc/02/59/36/430025936.db2.gz JLVJYEZFUFLCOW-OLZOCXBDSA-N 2 0 302.409 2.511 20 0 DFADRP COc1cccc2c1CC[C@H]([NH2+][C@@H]1CC[NH2+]CC(C)(C)C1)C2 ZINC000634733960 430092459 /nfs/dbraw/zinc/09/24/59/430092459.db2.gz SQHVGPPTBGDYHU-JKSUJKDBSA-N 2 0 302.462 2.920 20 0 DFADRP CCOc1ccc(C[NH2+][C@H]2CC[NH2+]CC(C)(C)C2)cc1OC ZINC000634732251 430092525 /nfs/dbraw/zinc/09/25/25/430092525.db2.gz BMDROOUXPKGTOJ-HNNXBMFYSA-N 2 0 306.450 2.962 20 0 DFADRP CC(C)(C(=O)N[C@H]1CC[NH2+]CC(C)(C)C1)[C@@H]([NH3+])c1ccccc1 ZINC000634763476 430106904 /nfs/dbraw/zinc/10/69/04/430106904.db2.gz XMCAVFNFFOPGQH-HOTGVXAUSA-N 2 0 317.477 2.607 20 0 DFADRP CC[N@H+](C)[C@@H](C(=O)N[C@H]1CC[NH2+]CC(C)(C)C1)c1ccccc1 ZINC000634761748 430107194 /nfs/dbraw/zinc/10/71/94/430107194.db2.gz IINVFEMWCUUOOI-DLBZAZTESA-N 2 0 317.477 2.574 20 0 DFADRP CCC1([NH+](C)C)CC[NH+](C[C@@H](O)[C@@H](C)c2ccccc2)CC1 ZINC000640015194 430053992 /nfs/dbraw/zinc/05/39/92/430053992.db2.gz GVHVGZJMNOIYPI-FUHWJXTLSA-N 2 0 304.478 2.957 20 0 DFADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CC(C)(C)CO2)[C@H](C)C1 ZINC000634686659 430077895 /nfs/dbraw/zinc/07/78/95/430077895.db2.gz PJAGNGUEJDRJTR-IKGGRYGDSA-N 2 0 312.498 2.528 20 0 DFADRP CC1(C)C[C@H]([NH2+]CC2CC[NH+](Cc3ccncc3)CC2)CCO1 ZINC000634685579 430078290 /nfs/dbraw/zinc/07/82/90/430078290.db2.gz QSOSBTOHXQBLMZ-GOSISDBHSA-N 2 0 317.477 2.841 20 0 DFADRP CN(CCC[NH+](C)C)C(=O)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000561310195 430086984 /nfs/dbraw/zinc/08/69/84/430086984.db2.gz AGAAGNCJELPLDH-UHFFFAOYSA-N 2 0 317.477 2.696 20 0 DFADRP C[C@@H]1C[C@@H](CC[NH2+]CC2(O)CCC2)C[N@@H+]1Cc1ccccc1 ZINC000580769674 430150368 /nfs/dbraw/zinc/15/03/68/430150368.db2.gz ZNUIQQRHVSCVTH-SJLPKXTDSA-N 2 0 302.462 2.792 20 0 DFADRP Cc1nn(C(C)(C)C)c(C)c1CN1CC[C@]2(C1)CCC[NH2+]C2 ZINC000580833675 430156805 /nfs/dbraw/zinc/15/68/05/430156805.db2.gz AHLCRZNZNNEUQQ-GOSISDBHSA-N 2 0 304.482 2.830 20 0 DFADRP c1c(CN2CCC(Nc3ccccn3)CC2)nc2ccccn12 ZINC000535573700 430163141 /nfs/dbraw/zinc/16/31/41/430163141.db2.gz FYADTLDTBKMELE-UHFFFAOYSA-N 2 0 307.401 2.806 20 0 DFADRP CC[NH+]1CCC(C[NH2+]C2CCN(CCC(F)(F)F)CC2)CC1 ZINC000562283819 430116473 /nfs/dbraw/zinc/11/64/73/430116473.db2.gz RLPIGWZMVIAWKJ-UHFFFAOYSA-N 2 0 321.431 2.725 20 0 DFADRP Cc1c([C@@H](C)NC[C@H]2CCC[N@H+](C)C2)nnn1-c1ccccc1 ZINC000562316864 430119478 /nfs/dbraw/zinc/11/94/78/430119478.db2.gz HESQUBIKQUBMSC-GDBMZVCRSA-N 2 0 313.449 2.568 20 0 DFADRP C[C@@H]1C[C@H]([NH2+]Cc2ccccc2OCC[NH+](C)C)C[C@H](C)O1 ZINC000562519573 430142073 /nfs/dbraw/zinc/14/20/73/430142073.db2.gz NWVMMQJPGNPZFO-QLPKVWCKSA-N 2 0 306.450 2.673 20 0 DFADRP CC(C)[N@H+](C)CC1CC[NH+](CCCO[C@H]2CCCCO2)CC1 ZINC000581142740 430183065 /nfs/dbraw/zinc/18/30/65/430183065.db2.gz COVHMTBBGSJQPX-SFHVURJKSA-N 2 0 312.498 2.972 20 0 DFADRP Cc1cnc2cc(C(=O)NCCC[N@H+]3CCCC[C@@H]3C)ccn12 ZINC000563370066 430183416 /nfs/dbraw/zinc/18/34/16/430183416.db2.gz OWWXNBRATCEMQP-AWEZNQCLSA-N 2 0 314.433 2.637 20 0 DFADRP C[NH+]1CCC(N2CCC([NH2+][C@H]3CCc4ccccc43)CC2)CC1 ZINC000371980214 277027163 /nfs/dbraw/zinc/02/71/63/277027163.db2.gz XAIWMVCGNXZQNO-FQEVSTJZSA-N 2 0 313.489 2.822 20 0 DFADRP C[NH+]1CCC(N2CC[C@H]([NH2+][C@@H]3CCCc4ccccc43)C2)CC1 ZINC000370637901 277028779 /nfs/dbraw/zinc/02/87/79/277028779.db2.gz VVEODUGCJMZBHO-FXAWDEMLSA-N 2 0 313.489 2.822 20 0 DFADRP C[C@H]([NH3+])[C@@H]1CCC[N@H+](Cc2cccc(-c3ccc(N)cc3)n2)C1 ZINC000634991228 430185549 /nfs/dbraw/zinc/18/55/49/430185549.db2.gz VKRVUZRHEYZLJH-GOEBONIOSA-N 2 0 310.445 2.890 20 0 DFADRP C[N@@H+]1CCC[C@@H]1CC[NH+]1CCC[C@@H](C(=O)NC2CCCCC2)C1 ZINC000371330128 277060016 /nfs/dbraw/zinc/06/00/16/277060016.db2.gz QVEDRJBFIALDCC-SJLPKXTDSA-N 2 0 321.509 2.632 20 0 DFADRP [NH3+][C@@H]1CCC[C@H]([NH2+][C@@H]2[C@@H]3Cc4c(cccc4Br)[C@@H]32)C1 ZINC000634997053 430186821 /nfs/dbraw/zinc/18/68/21/430186821.db2.gz BTWSYKHMRNEHKX-NEGUBRTISA-N 2 0 321.262 2.947 20 0 DFADRP C[N@@H+]1CCC[C@@H]1CC[NH2+]C1(Cc2ccc(F)cc2)CCOCC1 ZINC000293283939 277061840 /nfs/dbraw/zinc/06/18/40/277061840.db2.gz OGHYANZUSOAHMP-GOSISDBHSA-N 2 0 320.452 2.991 20 0 DFADRP C[N@@H+]1CCC[C@@H]2CN([C@H]3CC[NH+](Cc4ccccc4)C3)CC[C@H]21 ZINC000271252645 277069728 /nfs/dbraw/zinc/06/97/28/277069728.db2.gz FWYBISBXNWNNKW-HSALFYBXSA-N 2 0 313.489 2.677 20 0 DFADRP C[N@@H+]1CCC[C@H]1CC[NH+]1CCC[C@@H](C(=O)N2CCCCCC2)C1 ZINC000371322553 277078119 /nfs/dbraw/zinc/07/81/19/277078119.db2.gz ZTQNLSBTTQSAGD-MSOLQXFVSA-N 2 0 321.509 2.585 20 0 DFADRP c1ccc([C@H]2C[C@@H]([NH2+]Cc3cccc4c3CC[NH2+]C4)CCN2)cc1 ZINC000635005869 430194302 /nfs/dbraw/zinc/19/43/02/430194302.db2.gz XAWMCHCDMNHBFY-PZJWPPBQSA-N 2 0 321.468 2.915 20 0 DFADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C[NH2+]C1CCC(C[NH3+])CC1 ZINC000635005632 430194376 /nfs/dbraw/zinc/19/43/76/430194376.db2.gz VUQKECUSDZVZFN-BXXUTWAOSA-N 3 0 315.505 2.862 20 0 DFADRP [NH3+]C[C@@H]1CCC[C@H]1[NH2+][C@@H]1[C@H]2Cc3cc(Br)ccc3[C@@H]12 ZINC000635006802 430194437 /nfs/dbraw/zinc/19/44/37/430194437.db2.gz SYAHKANWQMJKGI-IPHYIZQQSA-N 2 0 321.262 2.804 20 0 DFADRP COc1cccc(C[C@@H](C)[NH2+]CC[C@H]([NH3+])Cc2ccccc2)n1 ZINC000635005354 430194520 /nfs/dbraw/zinc/19/45/20/430194520.db2.gz IFGPTTCUCFUJIH-WBVHZDCISA-N 2 0 313.445 2.571 20 0 DFADRP CCC[C@H](Nc1cc(N2CC[NH2+]CC2)cc[nH+]1)c1ccccn1 ZINC000635007893 430194679 /nfs/dbraw/zinc/19/46/79/430194679.db2.gz GZGDDRBPKBMVEP-KRWDZBQOSA-N 2 0 311.433 2.840 20 0 DFADRP CC[C@H](C)Oc1cc(C[N@@H+]2C[C@H](C)[C@H](C[NH3+])C2)ccc1OC ZINC000634999032 430188918 /nfs/dbraw/zinc/18/89/18/430188918.db2.gz PAXOFKHMTDBIAE-OFQRWUPVSA-N 2 0 306.450 2.899 20 0 DFADRP Cc1nn(-c2ccc(F)cc2)c(C)c1C[N@H+]1C[C@@H](C)[C@@H](C[NH3+])C1 ZINC000634998309 430189022 /nfs/dbraw/zinc/18/90/22/430189022.db2.gz DBLPUJCUPODLMY-DOMZBBRYSA-N 2 0 316.424 2.655 20 0 DFADRP COc1ccc(C[N@@H+]2C[C@H](C)[C@H](C[NH3+])C2)cc1OCC(C)C ZINC000634999535 430189210 /nfs/dbraw/zinc/18/92/10/430189210.db2.gz VWSJSQZXIYVQBA-GOEBONIOSA-N 2 0 306.450 2.757 20 0 DFADRP C[C@H]1C[N@H+](Cc2ccc(N(C)c3ccccc3)nc2)C[C@H]1C[NH3+] ZINC000634998766 430189460 /nfs/dbraw/zinc/18/94/60/430189460.db2.gz KPMPGXSBLMEVQA-DOTOQJQBSA-N 2 0 310.445 2.876 20 0 DFADRP C[NH+]1CCN(c2ncccc2C[NH2+]C2CCC3(CC3)CC2)CC1 ZINC000362912725 277115358 /nfs/dbraw/zinc/11/53/58/277115358.db2.gz ILHNWSKQGJOHIN-UHFFFAOYSA-N 2 0 314.477 2.646 20 0 DFADRP C[C@H]([NH2+][C@@H]1[C@H]2Cc3cc(Br)ccc3[C@@H]12)[C@H]1CC[NH2+]C1 ZINC000635001422 430191317 /nfs/dbraw/zinc/19/13/17/430191317.db2.gz RVFAQYBAYYRSEG-SZHJEYTRSA-N 2 0 321.262 2.675 20 0 DFADRP Cn1ccnc1[C@@H]([NH2+][C@H]1CC[C@H](C[NH3+])CC1)c1cccc(F)c1 ZINC000635003482 430191940 /nfs/dbraw/zinc/19/19/40/430191940.db2.gz DJHYCMUFETTWSK-JQFCIGGWSA-N 2 0 316.424 2.756 20 0 DFADRP CC(C)n1ccc(C[C@@H](C)[NH2+]Cc2cccc3c2CC[NH2+]C3)n1 ZINC000635006215 430193012 /nfs/dbraw/zinc/19/30/12/430193012.db2.gz BDIIAMKIQMMHPG-OAHLLOKOSA-N 2 0 312.461 2.831 20 0 DFADRP C[C@H](CCCC[NH3+])[NH2+][C@@H](CO)c1cccc(C(F)(F)F)c1 ZINC000635004470 430193042 /nfs/dbraw/zinc/19/30/42/430193042.db2.gz OYDHMYMULNDQPO-RISCZKNCSA-N 2 0 304.356 2.846 20 0 DFADRP c1ccc([C@H]2C[C@H]([NH2+]Cc3cccc4c3CC[NH2+]C4)CCN2)cc1 ZINC000635005871 430193303 /nfs/dbraw/zinc/19/33/03/430193303.db2.gz XAWMCHCDMNHBFY-TZIWHRDSSA-N 2 0 321.468 2.915 20 0 DFADRP COc1ccc(C[C@@H](C)[NH2+][C@H]2CC[C@H](C[NH3+])CC2)cc1OC ZINC000635007524 430193413 /nfs/dbraw/zinc/19/34/13/430193413.db2.gz QPZHAUHZJFKKOV-IIAWOOMASA-N 2 0 306.450 2.742 20 0 DFADRP COc1cccc2c1CC[C@@H]2Nc1cc(N2CC[NH2+]CC2)cc[nH+]1 ZINC000635009496 430195623 /nfs/dbraw/zinc/19/56/23/430195623.db2.gz NSKHRPJSAKDQEZ-KRWDZBQOSA-N 2 0 324.428 2.599 20 0 DFADRP Fc1ccc([C@@H]2OCC[C@H]2C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC000635012032 430195912 /nfs/dbraw/zinc/19/59/12/430195912.db2.gz IUTVIGGKMZBHTB-AKKLJKOSSA-N 2 0 318.436 2.881 20 0 DFADRP Oc1cccc2c1CCC[C@@H]2Nc1cc(N2CC[NH2+]CC2)cc[nH+]1 ZINC000635009320 430196233 /nfs/dbraw/zinc/19/62/33/430196233.db2.gz MZIGBYDVOQGFKG-KRWDZBQOSA-N 2 0 324.428 2.686 20 0 DFADRP C[N@@H+]1CCC[C@H]1CCN[C@@H](CO)c1ccc(C(F)(F)F)cc1 ZINC000541953377 430196678 /nfs/dbraw/zinc/19/66/78/430196678.db2.gz KJHYEKUEYZUDKB-GJZGRUSLSA-N 2 0 316.367 2.813 20 0 DFADRP C[C@H]([NH2+][C@H]1CC[NH2+]CC(C)(C)C1)c1cccc(-n2ccnn2)c1 ZINC000635011802 430196916 /nfs/dbraw/zinc/19/69/16/430196916.db2.gz PFJJEUDCXMWERJ-HOCLYGCPSA-N 2 0 313.449 2.696 20 0 DFADRP Cc1cc(N2CCC([NH2+][C@H](C)C[C@@H]3CCCCC[NH2+]3)CC2)n[nH]1 ZINC000581304619 430197599 /nfs/dbraw/zinc/19/75/99/430197599.db2.gz RYSCIZXVMVPJKH-PBHICJAKSA-N 2 0 319.497 2.587 20 0 DFADRP CNC(=O)[C@@H]1CCC[C@@H]1[NH2+]C1CC[NH+]([C@H]2CCC[C@@H](C)C2)CC1 ZINC000358269322 277243087 /nfs/dbraw/zinc/24/30/87/277243087.db2.gz UOPREWCUARDSMO-SPUZQDLCSA-N 2 0 321.509 2.534 20 0 DFADRP COC(=O)C[C@@H]1CC[C@@H]([NH2+]CCC[NH+]2CCC(C)CC2)[C@@H]1C ZINC000353935416 277325796 /nfs/dbraw/zinc/32/57/96/277325796.db2.gz WOYXGQCJFACNQQ-IXDOHACOSA-N 2 0 310.482 2.676 20 0 DFADRP COC(=O)C[C@@H]1CC[C@H]([NH2+]C2CC[NH+](CC(C)C)CC2)[C@H]1C ZINC000353923792 277326231 /nfs/dbraw/zinc/32/62/31/277326231.db2.gz ARBKJPTXUGNVLG-ZOBUZTSGSA-N 2 0 310.482 2.674 20 0 DFADRP c1ccc([C@H](NC[C@@H]2CC[N@@H+](C3CC3)C2)c2cncnc2)cc1 ZINC000542670134 430219908 /nfs/dbraw/zinc/21/99/08/430219908.db2.gz BTFIJSSXVZGPDM-KXBFYZLASA-N 2 0 308.429 2.640 20 0 DFADRP c1ccc([C@@H](NC[C@@H]2CC[N@@H+](C3CC3)C2)c2cncnc2)cc1 ZINC000542670133 430220116 /nfs/dbraw/zinc/22/01/16/430220116.db2.gz BTFIJSSXVZGPDM-HNAYVOBHSA-N 2 0 308.429 2.640 20 0 DFADRP CC(C)[NH2+]C1(CO)CC[NH+]([C@H](C)CCc2ccccc2)CC1 ZINC000565607667 430221380 /nfs/dbraw/zinc/22/13/80/430221380.db2.gz QQHBHVXSQRYWOO-QGZVFWFLSA-N 2 0 304.478 2.833 20 0 DFADRP CC(C)[NH2+]C1(CO)CC[NH+]([C@@H](C)CCc2ccccc2)CC1 ZINC000565607642 430221848 /nfs/dbraw/zinc/22/18/48/430221848.db2.gz QQHBHVXSQRYWOO-KRWDZBQOSA-N 2 0 304.478 2.833 20 0 DFADRP CC(C)C[NH+]1CCC([NH2+]C2CCN(c3cc[nH+]cc3)CC2)CC1 ZINC000294281329 277385960 /nfs/dbraw/zinc/38/59/60/277385960.db2.gz SSKVMZBTQMIVKY-UHFFFAOYSA-N 3 0 316.493 2.760 20 0 DFADRP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+](C)C[C@@H]1CCCC[C@@H]1O ZINC000542484976 430213860 /nfs/dbraw/zinc/21/38/60/430213860.db2.gz CNOWGCBILMJPCX-YJBOKZPZSA-N 2 0 314.433 2.559 20 0 DFADRP C[C@@H]1C[C@H](N(C)Cc2ccccc2OCCCCO)CC[N@@H+]1C ZINC000638118322 430241679 /nfs/dbraw/zinc/24/16/79/430241679.db2.gz XLCYVQULJSKMAW-SJLPKXTDSA-N 2 0 320.477 2.752 20 0 DFADRP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+][C@@H]1CCO[C@@H](C(C)C)C1 ZINC000543238497 430242169 /nfs/dbraw/zinc/24/21/69/430242169.db2.gz OIMVPPLSSNXKBM-SJLPKXTDSA-N 2 0 314.433 2.869 20 0 DFADRP Cc1ccc(-c2n[nH]cc2CN2CC[C@]3(C2)CCC[NH2+]C3)cc1 ZINC000566230456 430249111 /nfs/dbraw/zinc/24/91/11/430249111.db2.gz XJVVLVZVWFJYOC-LJQANCHMSA-N 2 0 310.445 2.961 20 0 DFADRP Cn1cncc1CCC[N@H+](CCc1ccccc1)[C@@H]1CCOC1 ZINC000566415096 430257263 /nfs/dbraw/zinc/25/72/63/430257263.db2.gz WXGSOESBNRQLHX-LJQANCHMSA-N 2 0 313.445 2.686 20 0 DFADRP C[C@H]([NH2+]Cc1ccc(N2CCCCC2)nc1)[C@@H]1CCC[NH2+]C1 ZINC000581997109 430258566 /nfs/dbraw/zinc/25/85/66/430258566.db2.gz WTVFCONQMPKGGO-DOTOQJQBSA-N 2 0 302.466 2.550 20 0 DFADRP C[NH2+]C[C@@](C)(O)C[NH+]1CCC(CCc2ccc(C)cc2)CC1 ZINC000582008725 430260824 /nfs/dbraw/zinc/26/08/24/430260824.db2.gz ZBSFZOMNRLECSS-LJQANCHMSA-N 2 0 304.478 2.610 20 0 DFADRP OC[C@@H](C[NH2+]C1CC[NH+](C2CCCCC2)CC1)Cc1ccco1 ZINC000543769862 430264749 /nfs/dbraw/zinc/26/47/49/430264749.db2.gz PZCTVEWXFQENCE-MRXNPFEDSA-N 2 0 320.477 2.817 20 0 DFADRP C[C@H](C[NH2+][C@@H]1CCC[C@H]([NH3+])C1)c1nc(-c2ccccc2)no1 ZINC000566482072 430265838 /nfs/dbraw/zinc/26/58/38/430265838.db2.gz RRTKKGDUQXXLLJ-VHDGCEQUSA-N 2 0 300.406 2.700 20 0 DFADRP C[C@@H]1C[N@H+](C)CC[C@H]1N(C)Cc1cnc(-c2ccccn2)s1 ZINC000582268870 430283416 /nfs/dbraw/zinc/28/34/16/430283416.db2.gz GXCNTZVIHADVNJ-CZUORRHYSA-N 2 0 316.474 2.977 20 0 DFADRP Fc1ccccc1N1CC[C@H]([NH2+]C2CC[NH+](CC3CC3)CC2)C1 ZINC000565751857 430225519 /nfs/dbraw/zinc/22/55/19/430225519.db2.gz CRCQMAOLVLOBPL-KRWDZBQOSA-N 2 0 317.452 2.868 20 0 DFADRP [NH3+][C@@H]1CC=C(C(=O)Nc2ccc(CC[NH+]3CCCCC3)cc2)C1 ZINC000638080126 430228751 /nfs/dbraw/zinc/22/87/51/430228751.db2.gz ZDIRNTVJOMLUCE-QGZVFWFLSA-N 2 0 313.445 2.701 20 0 DFADRP COc1cc(C)c(C[C@H](C)[NH2+]C[C@H]2CCC[N@H+](C)C2)cc1OC ZINC000581654653 430229220 /nfs/dbraw/zinc/22/92/20/430229220.db2.gz IRHQMWNAYNYQGL-JKSUJKDBSA-N 2 0 320.477 2.875 20 0 DFADRP CC[N@@H+]1CC[C@@H](N(C)Cc2c3c(nn2C)CCCC3)C[C@@H]1C ZINC000638109774 430238010 /nfs/dbraw/zinc/23/80/10/430238010.db2.gz GRCYYOWTQVPMBZ-LSDHHAIUSA-N 2 0 304.482 2.604 20 0 DFADRP CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)c2oc(C[NH3+])cc2C)C1 ZINC000638112929 430240048 /nfs/dbraw/zinc/24/00/48/430240048.db2.gz XGHFLGLDKADCQH-AWEZNQCLSA-N 2 0 321.465 2.677 20 0 DFADRP Cc1ccc(C[NH+](C)C)cc1NC1CC[NH+](CC(C)(C)O)CC1 ZINC000638264161 430288752 /nfs/dbraw/zinc/28/87/52/430288752.db2.gz CUDFLXXNANBDST-UHFFFAOYSA-N 2 0 319.493 2.704 20 0 DFADRP CC(C)[N@@H+]1CCCC[C@@H]1Cn1cc([C@H]([NH3+])c2ccccc2)nn1 ZINC000641169111 430350088 /nfs/dbraw/zinc/35/00/88/430350088.db2.gz KCGORHLDXLUZJG-SJLPKXTDSA-N 2 0 313.449 2.589 20 0 DFADRP CC(C)(O)C[NH+]1CCC([NH2+]CCCSc2ccccc2)CC1 ZINC000638281608 430294471 /nfs/dbraw/zinc/29/44/71/430294471.db2.gz SGDGRVNZSOURBA-UHFFFAOYSA-N 2 0 322.518 2.994 20 0 DFADRP C[NH+](C)CCCN[C@@H]1CC[N@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000638289394 430295191 /nfs/dbraw/zinc/29/51/91/430295191.db2.gz HPKMZKLTADPLNU-IEBWSBKVSA-N 2 0 301.478 2.896 20 0 DFADRP C[N@H+](CCC[NH2+]Cc1c[nH]c2ncncc12)Cc1ccccc1 ZINC000638309921 430300843 /nfs/dbraw/zinc/30/08/43/430300843.db2.gz RBCMKWMNKXZIAN-UHFFFAOYSA-N 2 0 309.417 2.521 20 0 DFADRP [NH3+]C[C@H]1CC[C@H](C[NH2+]Cc2cnc([C@H]3CCCO3)s2)CC1 ZINC000582474366 430302750 /nfs/dbraw/zinc/30/27/50/430302750.db2.gz TXGKPXZNHYZNGJ-UMVBOHGHSA-N 2 0 309.479 2.849 20 0 DFADRP COC(=O)CC1([NH2+]Cc2ccc(C[NH+]3CCCCC3)cc2)CC1 ZINC000567995695 430303968 /nfs/dbraw/zinc/30/39/68/430303968.db2.gz SINBXNXGIPXRMG-UHFFFAOYSA-N 2 0 316.445 2.858 20 0 DFADRP CC(C)c1[nH+]c(CN2C[C@H]([NH+](C)C)[C@@H](C)C2)c2ccccn21 ZINC000568033639 430309433 /nfs/dbraw/zinc/30/94/33/430309433.db2.gz UOHHIRGQHUQRSG-YOEHRIQHSA-N 2 0 300.450 2.840 20 0 DFADRP C[C@@H]1C[C@@H](C)C[NH+](CCCC[NH2+]CCCc2cnn(C)c2)C1 ZINC000638368575 430318633 /nfs/dbraw/zinc/31/86/33/430318633.db2.gz ASJNYCKFUSGTNZ-IAGOWNOFSA-N 2 0 306.498 2.700 20 0 DFADRP CCO[C@@H]1C[C@@H]([NH2+]CCCC[N@@H+]2CCC[C@H](C)C2)[C@]12CCCO2 ZINC000638366293 430318679 /nfs/dbraw/zinc/31/86/79/430318679.db2.gz MZBYCPBDSBNWQG-WJFTUGDTSA-N 2 0 324.509 2.815 20 0 DFADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCC[NH2+]CCCc2cnn(C)c2)C1 ZINC000638368574 430319480 /nfs/dbraw/zinc/31/94/80/430319480.db2.gz ASJNYCKFUSGTNZ-CALCHBBNSA-N 2 0 306.498 2.700 20 0 DFADRP C[C@@H](C[C@@H]1CCCC(=O)N1)[NH2+]CCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000638369942 430320218 /nfs/dbraw/zinc/32/02/18/430320218.db2.gz JPCMSJXACAKLMM-MHORFTMASA-N 2 0 323.525 2.781 20 0 DFADRP CC[N@H+](C)C[C@@H](O)CN[C@H](c1ccccc1)c1ccc(F)cc1 ZINC000568164483 430322816 /nfs/dbraw/zinc/32/28/16/430322816.db2.gz RCTOWSDTNKUVFD-RBUKOAKNSA-N 2 0 316.420 2.817 20 0 DFADRP C[C@H](C[NH2+]C[C@H]1CCN(c2ccccc2)C1)C[NH+]1CCCC1 ZINC000638386780 430324974 /nfs/dbraw/zinc/32/49/74/430324974.db2.gz OZBVCAJECILZOI-QZTJIDSGSA-N 2 0 301.478 2.834 20 0 DFADRP C[NH+](C)CCOc1cccc(C[NH2+]Cc2cccc(F)c2N)c1 ZINC000638382555 430325700 /nfs/dbraw/zinc/32/57/00/430325700.db2.gz XDIRICGXRIEFIB-UHFFFAOYSA-N 2 0 317.408 2.638 20 0 DFADRP CCC[N@H+](CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C)C(C)C ZINC000568183364 430327352 /nfs/dbraw/zinc/32/73/52/430327352.db2.gz RPHVJBHKCGWKGP-KRWDZBQOSA-N 2 0 305.466 2.526 20 0 DFADRP CCC[N@@H+]1CC[C@H](C[NH2+]C[C@@H]2CCN(c3ccccc3)C2)C1 ZINC000638409112 430333405 /nfs/dbraw/zinc/33/34/05/430333405.db2.gz JDRPFTQHXDEFNG-MSOLQXFVSA-N 2 0 301.478 2.834 20 0 DFADRP CC[NH2+]CCC[NH2+][C@H](C)CC(=O)Nc1ccc(C)cc1Cl ZINC000582839245 430339611 /nfs/dbraw/zinc/33/96/11/430339611.db2.gz IUBGPPLGRLIGTH-CYBMUJFWSA-N 2 0 311.857 2.955 20 0 DFADRP CO[C@H](C[NH2+]Cc1cccc(C[N@H+](C)C(C)C)c1)[C@@H]1CCOC1 ZINC000638434120 430340949 /nfs/dbraw/zinc/34/09/49/430340949.db2.gz HSYFANSKPFAYOF-RTBURBONSA-N 2 0 320.477 2.668 20 0 DFADRP COc1c(C)nc(C2CC2)nc1N(C)CCCn1ccnc1C ZINC000582855830 430341046 /nfs/dbraw/zinc/34/10/46/430341046.db2.gz DOJZYFJDPFCUGI-UHFFFAOYSA-N 2 0 315.421 2.702 20 0 DFADRP C[C@@H](C[C@H]1CCCCC[NH2+]1)[NH2+]Cc1cccnc1-n1cccn1 ZINC000582898924 430345614 /nfs/dbraw/zinc/34/56/14/430345614.db2.gz CZECXVHMCNJTLZ-DOTOQJQBSA-N 2 0 313.449 2.668 20 0 DFADRP CC(C)C1(C[NH2+]CC2(N3CCCCC3)CC[NH+](C)CC2)CC1 ZINC000638693035 430411528 /nfs/dbraw/zinc/41/15/28/430411528.db2.gz PATFCKSNBHJGGL-UHFFFAOYSA-N 2 0 307.526 2.963 20 0 DFADRP C[C@H]([NH2+]Cc1ccccc1C[NH+]1CCC(O)CC1)[C@H]1CC1(F)F ZINC000638721443 430416380 /nfs/dbraw/zinc/41/63/80/430416380.db2.gz ZKUHACIGMNJGTK-SUMWQHHRSA-N 2 0 324.415 2.777 20 0 DFADRP C[C@@H]([NH2+]Cc1ccccc1C[NH+]1CCC(O)CC1)[C@@H]1CC1(F)F ZINC000638721438 430416787 /nfs/dbraw/zinc/41/67/87/430416787.db2.gz ZKUHACIGMNJGTK-DYVFJYSZSA-N 2 0 324.415 2.777 20 0 DFADRP CC[C@@](C)(C[NH2+]C[C@@H]1CC[N@H+](CCc2ccccc2)C1)OC ZINC000638521994 430367616 /nfs/dbraw/zinc/36/76/16/430367616.db2.gz TXZRSUVRBHRUSQ-OALUTQOASA-N 2 0 304.478 2.956 20 0 DFADRP CCC[C@H](C[NH2+]C[C@H]1CC[N@H+](CCc2ccccc2)C1)OC ZINC000638521309 430367712 /nfs/dbraw/zinc/36/77/12/430367712.db2.gz GKIJCECOKDENHP-RTBURBONSA-N 2 0 304.478 2.956 20 0 DFADRP C[C@@H]1C[C@H]([NH2+]CCc2ccc(OCC[NH+](C)C)cc2)CS1 ZINC000638539288 430371337 /nfs/dbraw/zinc/37/13/37/430371337.db2.gz MLLQYGJJNPPRDR-ZBFHGGJFSA-N 2 0 308.491 2.653 20 0 DFADRP CC[NH+](CC)CCO[C@@H]1CC[N@H+](Cc2c(C)nsc2C)C1 ZINC000583212084 430373605 /nfs/dbraw/zinc/37/36/05/430373605.db2.gz ITZWMFHRTJRBCY-OAHLLOKOSA-N 2 0 311.495 2.693 20 0 DFADRP C[C@H](C[NH2+][C@H](C)[C@H]1CC2CCC1CC2)CN1CC[NH+](C)CC1 ZINC000638555617 430375104 /nfs/dbraw/zinc/37/51/04/430375104.db2.gz ZDEVULOQOAXLNV-XBBDAYDNSA-N 2 0 307.526 2.674 20 0 DFADRP CC[NH+]1CCC(C[NH2+][C@@H](C)c2ccc([S@](C)=O)cc2)CC1 ZINC000569057836 430417780 /nfs/dbraw/zinc/41/77/80/430417780.db2.gz YPDONOJLMLQQAF-QKKBWIMNSA-N 2 0 308.491 2.807 20 0 DFADRP OC[C@H]1CCC[N@@H+]1CCCC[NH2+]C[C@@H]1CCc2ccccc2C1 ZINC000638621323 430391076 /nfs/dbraw/zinc/39/10/76/430391076.db2.gz WEMUCGAJICFWRF-YLJYHZDGSA-N 2 0 316.489 2.618 20 0 DFADRP OC[C@H]1CCC[N@@H+]1Cc1ccccc1C[NH2+][C@H]1CCC[C@H]2C[C@H]21 ZINC000568770010 430391192 /nfs/dbraw/zinc/39/11/92/430391192.db2.gz ZPTOHBKMNUKPLZ-OBZTUIKSSA-N 2 0 314.473 2.922 20 0 DFADRP CCCOc1ccc(C[NH2+][C@H](C)CCN2CC[NH+](C)CC2)cc1 ZINC000547433476 430392157 /nfs/dbraw/zinc/39/21/57/430392157.db2.gz CWLPTBYHCJNPLU-QGZVFWFLSA-N 2 0 319.493 2.591 20 0 DFADRP Cc1nccn1CCC[N@@H+](C)Cc1cc2ccccc2n(C)c1=O ZINC000583508055 430403288 /nfs/dbraw/zinc/40/32/88/430403288.db2.gz YSBVWOPNWAKUDU-UHFFFAOYSA-N 2 0 324.428 2.566 20 0 DFADRP C[C@H]1C[C@H]1c1ccc(C[N@H+](C)CCCN(C)CC[NH+](C)C)o1 ZINC000583532754 430403480 /nfs/dbraw/zinc/40/34/80/430403480.db2.gz QJORPKWGNJWRLH-DOTOQJQBSA-N 2 0 307.482 2.718 20 0 DFADRP C[N@H+](CCC(=O)N1CC[C@@H]([NH+]2CCCCC2)C1)C1CCCCC1 ZINC000548060843 430443261 /nfs/dbraw/zinc/44/32/61/430443261.db2.gz SVDSXHCJKHXDNN-GOSISDBHSA-N 2 0 321.509 2.728 20 0 DFADRP C[C@H]([NH3+])[C@@H]1COCC[C@H]1[NH2+]Cc1ccc(-c2ccncc2)cc1 ZINC000569330364 430444552 /nfs/dbraw/zinc/44/45/52/430444552.db2.gz SKLVECSFUZQBQR-ZOCIIQOWSA-N 2 0 311.429 2.591 20 0 DFADRP CCc1ccccc1[C@H]([NH3+])CNC(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC000569360884 430448719 /nfs/dbraw/zinc/44/87/19/430448719.db2.gz YROWNSLJVVMWJN-QZTJIDSGSA-N 2 0 317.477 2.628 20 0 DFADRP CCOC1CC(C[NH2+]CC2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000638837895 430449579 /nfs/dbraw/zinc/44/95/79/430449579.db2.gz ZVQIQYXAZVJAMO-UHFFFAOYSA-N 2 0 303.450 2.703 20 0 DFADRP CC(C)(C[NH3+])C(=O)N[C@@H]1CCCCC[N@H+](Cc2ccccc2)C1 ZINC000638850758 430454423 /nfs/dbraw/zinc/45/44/23/430454423.db2.gz GVBCYRYNPHZSEW-QGZVFWFLSA-N 2 0 317.477 2.532 20 0 DFADRP C[C@H]1CC[N@H+](CC(=O)Nc2cccc(CC[NH+]3CCCC3)c2)C1 ZINC000569473797 430456729 /nfs/dbraw/zinc/45/67/29/430456729.db2.gz WFNRCBTYIDGDFJ-INIZCTEOSA-N 2 0 315.461 2.605 20 0 DFADRP CCc1cnccc1[C@@H](C)[NH2+]C1CC[NH+](CC(C)(C)O)CC1 ZINC000638858240 430458354 /nfs/dbraw/zinc/45/83/54/430458354.db2.gz ZIYMGRJIMWJGSW-CQSZACIVSA-N 2 0 305.466 2.530 20 0 DFADRP Nc1cnccc1C[NH2+][C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000641746655 430458380 /nfs/dbraw/zinc/45/83/80/430458380.db2.gz BSHATQFEQAVCMJ-NLWGTHIKSA-N 2 0 322.456 2.664 20 0 DFADRP OC[C@H]1C=C[C@@H]([NH2+][C@@H]2CCN(C3CC3)[C@@H](c3ccccc3)C2)C1 ZINC000638880506 430465514 /nfs/dbraw/zinc/46/55/14/430465514.db2.gz MFWYCWYQLRIYJV-ZCDKGFTFSA-N 2 0 312.457 2.881 20 0 DFADRP CC[N@@H+]1CC[C@@H](N(C)C(=O)CC[NH+](C)C2CCCCC2)C[C@H]1C ZINC000548389174 430468260 /nfs/dbraw/zinc/46/82/60/430468260.db2.gz BYNNPKWZUSCJAS-SJLPKXTDSA-N 2 0 323.525 2.972 20 0 DFADRP CCCc1nc(C)c(C[NH+]2CCC([C@@H]3C[C@@H]([NH3+])CCO3)CC2)o1 ZINC000641798752 430476671 /nfs/dbraw/zinc/47/66/71/430476671.db2.gz HSTRTWZDVLNVIE-HOTGVXAUSA-N 2 0 321.465 2.654 20 0 DFADRP C[N@H+](CCCC[NH2+]C[C@H](O)Cc1cccc(Cl)c1)C1CC1 ZINC000569687289 430477319 /nfs/dbraw/zinc/47/73/19/430477319.db2.gz RFHWTFFCEILMIF-QGZVFWFLSA-N 2 0 310.869 2.707 20 0 DFADRP CCN(C[C@@H]1CCC[N@@H+]1CC)C(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC000547798653 430424158 /nfs/dbraw/zinc/42/41/58/430424158.db2.gz NVLNEGHLWSEEKW-SJORKVTESA-N 2 0 309.498 2.584 20 0 DFADRP Cc1ccc(CC[NH2+]C2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)cc1 ZINC000638751731 430424293 /nfs/dbraw/zinc/42/42/93/430424293.db2.gz SKMNPFMGZRPNGU-VQTJNVASSA-N 2 0 316.489 2.895 20 0 DFADRP C[C@@H](O)CC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000583794410 430429811 /nfs/dbraw/zinc/42/98/11/430429811.db2.gz OWTZUMMTUIKCBY-NXWXRZEISA-N 2 0 302.462 2.790 20 0 DFADRP Cc1cccc(C)c1CC[NH2+]C1CC[NH+](CC(C)(C)O)CC1 ZINC000638780220 430431968 /nfs/dbraw/zinc/43/19/68/430431968.db2.gz NKZAYADGZKKTHT-UHFFFAOYSA-N 2 0 304.478 2.671 20 0 DFADRP CCCc1nc(C)c(C[NH+]2CCC(CO[C@@H]3CC[NH2+]C3)CC2)o1 ZINC000641823010 430483366 /nfs/dbraw/zinc/48/33/66/430483366.db2.gz OZWGLFUQMWHDDW-MRXNPFEDSA-N 2 0 321.465 2.526 20 0 DFADRP C[C@@H]1COCCN1C1CC[NH+](CCCc2cccc(F)c2)CC1 ZINC000569775204 430483386 /nfs/dbraw/zinc/48/33/86/430483386.db2.gz CXGNRNQSWMOITI-MRXNPFEDSA-N 2 0 320.452 2.943 20 0 DFADRP O=C(N[C@@H]1CC[N@@H+](C2CCCCC2)C1)[C@@H]1CC[NH+]1C1CCCC1 ZINC000636203751 430485522 /nfs/dbraw/zinc/48/55/22/430485522.db2.gz YOVUEHAGFMKJQL-QAPCUYQASA-N 2 0 319.493 2.527 20 0 DFADRP CCC1([NH+](C)C)CCN(C(=O)[C@@H]2CCCCCC[C@@H]2[NH3+])CC1 ZINC000638976045 430486200 /nfs/dbraw/zinc/48/62/00/430486200.db2.gz TWMHUDBDNDGINL-CVEARBPZSA-N 2 0 309.498 2.617 20 0 DFADRP C[N@@H+](Cc1ccccc1)CC1CC[NH+](Cc2cnccn2)CC1 ZINC000569806992 430486543 /nfs/dbraw/zinc/48/65/43/430486543.db2.gz UMEFHKSHVBNXIQ-UHFFFAOYSA-N 2 0 310.445 2.821 20 0 DFADRP CC(C)(C)CCCC(=O)Nc1cc(N2CC[NH2+]CC2)cc[nH+]1 ZINC000638986611 430487796 /nfs/dbraw/zinc/48/77/96/430487796.db2.gz VQZAOPZGKUXCAF-UHFFFAOYSA-N 2 0 304.438 2.646 20 0 DFADRP CC(C)(O)C[NH+]1CCC([NH2+][C@H]2C[C@H](c3ccccc3F)C2)CC1 ZINC000639141848 430540667 /nfs/dbraw/zinc/54/06/67/430540667.db2.gz AAIDOFAJYDAUSK-KOMQPUFPSA-N 2 0 320.452 2.897 20 0 DFADRP [NH3+]C[C@H]1CCN(C(=O)CC2(C[NH3+])CCCCC2)c2ccccc21 ZINC000639064402 430509805 /nfs/dbraw/zinc/50/98/05/430509805.db2.gz FBYIXNDDHRXDET-OAHLLOKOSA-N 2 0 315.461 2.765 20 0 DFADRP Cn1nccc1[C@@H]1CCC[C@@H]([NH2+]C[C@H]2CC[C@H](C[NH3+])CC2)C1 ZINC000570077877 430510934 /nfs/dbraw/zinc/51/09/34/430510934.db2.gz UKQUKFMIXACYPQ-QBPKDAKJSA-N 2 0 304.482 2.801 20 0 DFADRP CCC[C@@H](C[N@@H+]1CC[C@H](CN(C)Cc2cccnc2)C1)OC ZINC000639080638 430514232 /nfs/dbraw/zinc/51/42/32/430514232.db2.gz MMXABZYDRATYSP-MSOLQXFVSA-N 2 0 305.466 2.650 20 0 DFADRP CC[C@H](C)[C@H](C[N@@H+]1CC[C@@H](CN(C)Cc2cccnc2)C1)OC ZINC000639080346 430515537 /nfs/dbraw/zinc/51/55/37/430515537.db2.gz LGJLKGHOBFJTGJ-WDSOQIARSA-N 2 0 319.493 2.896 20 0 DFADRP CSC[C@@H](O)C[NH2+]C[C@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000570202539 430521545 /nfs/dbraw/zinc/52/15/45/430521545.db2.gz MZVLHTRZYSIQGQ-MSOLQXFVSA-N 2 0 322.518 2.602 20 0 DFADRP COc1ccccc1OCCN[C@@H](Cc1ccccc1)[C@@H](C)[NH3+] ZINC000570271727 430527620 /nfs/dbraw/zinc/52/76/20/430527620.db2.gz WLSMRJWBXQPIGL-WBVHZDCISA-N 2 0 314.429 2.622 20 0 DFADRP CC(C)(O)C[NH+]1CCC([NH2+]Cc2ccc3ncccc3c2)CC1 ZINC000639119136 430532219 /nfs/dbraw/zinc/53/22/19/430532219.db2.gz IYTPJANNMJIXGD-UHFFFAOYSA-N 2 0 313.445 2.560 20 0 DFADRP Cc1nc2cc(NC(=O)c3cnccc3N(C)C)ccc2n1C ZINC000570323475 430532998 /nfs/dbraw/zinc/53/29/98/430532998.db2.gz NTMVCCBSSUHLOM-UHFFFAOYSA-N 2 0 309.373 2.595 20 0 DFADRP C[C@H](N[C@H](C[NH+]1CCCCC1)c1ccccc1)[C@@H]1CCC[NH2+]1 ZINC000643451870 430600882 /nfs/dbraw/zinc/60/08/82/430600882.db2.gz NIMVKBUIBRPPPF-YTQUADARSA-N 2 0 301.478 2.944 20 0 DFADRP Cc1nc2ccccc2nc1C[NH+]1CCC[C@H]2C[N@H+](C)CC[C@H]21 ZINC000639180766 430559053 /nfs/dbraw/zinc/55/90/53/430559053.db2.gz YCMOCNWSYNBDDQ-HNAYVOBHSA-N 2 0 310.445 2.854 20 0 DFADRP CN(CCC[N@H+](C)Cc1cccc2ncccc12)CC[NH+](C)C ZINC000639185439 430562424 /nfs/dbraw/zinc/56/24/24/430562424.db2.gz APFXMWLZWOZCGF-UHFFFAOYSA-N 2 0 314.477 2.550 20 0 DFADRP COC[C@H](CCC[NH3+])[NH2+][C@@H](CN1CCCCC1)c1ccccc1 ZINC000643451856 430601589 /nfs/dbraw/zinc/60/15/89/430601589.db2.gz LJKZNCHVQSNWGC-OALUTQOASA-N 2 0 319.493 2.557 20 0 DFADRP CC[N@H+](C)C[C@H](O)CN1CC=C(c2cc(C)cc(C)c2)CC1 ZINC000570812458 430579180 /nfs/dbraw/zinc/57/91/80/430579180.db2.gz AGNSIOKJBFBWNH-IBGZPJMESA-N 2 0 302.462 2.705 20 0 DFADRP C[C@H]([NH2+]C[C@H]1CCN(c2ccccc2F)C1)C1CC[NH+](C)CC1 ZINC000643320929 430581219 /nfs/dbraw/zinc/58/12/19/430581219.db2.gz XDZNASHLMBJKQL-JKSUJKDBSA-N 2 0 319.468 2.972 20 0 DFADRP CC[NH+]1CCC(C[NH2+][C@H]2CCN[C@@H](c3ccccc3)C2)CC1 ZINC000643453685 430601979 /nfs/dbraw/zinc/60/19/79/430601979.db2.gz RJZBNOXIWFLRIL-RBUKOAKNSA-N 2 0 301.478 2.801 20 0 DFADRP C[NH+](C)CCOCC[NH2+][C@H]1CCCOc2cc3c(cc21)CCC3 ZINC000570896410 430587697 /nfs/dbraw/zinc/58/76/97/430587697.db2.gz KBRNMCBCRVTZBE-SFHVURJKSA-N 2 0 318.461 2.557 20 0 DFADRP CC(C)(O)C[NH+]1CCC([NH2+]C2CCC(C(F)F)CC2)CC1 ZINC000639256491 430589803 /nfs/dbraw/zinc/58/98/03/430589803.db2.gz AMUFYDLWKNZCAE-UHFFFAOYSA-N 2 0 304.425 2.635 20 0 DFADRP C[NH+](C)Cc1ccc(NC2CC[NH+](CC(C)(C)O)CC2)c(F)c1 ZINC000639262778 430590830 /nfs/dbraw/zinc/59/08/30/430590830.db2.gz LUAQRRCFCJFDLK-UHFFFAOYSA-N 2 0 323.456 2.535 20 0 DFADRP CN1CC[C@H](C[NH2+]CC(C)(C)O)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000570956088 430593065 /nfs/dbraw/zinc/59/30/65/430593065.db2.gz RZNBGTCHXMZDII-DOMZBBRYSA-N 2 0 314.832 2.832 20 0 DFADRP C[C@@H]1C[C@@H](C)C[NH+](CCC[NH2+][C@H]2COc3ccccc3C2)C1 ZINC000550621511 430543446 /nfs/dbraw/zinc/54/34/46/430543446.db2.gz DFDANSCZLPWYFQ-JFIYKMOQSA-N 2 0 302.462 2.948 20 0 DFADRP CC[C@H]1CN(c2cc[nH+]c3cc(F)c(OC)cc32)CC[C@@H]1[NH3+] ZINC000643033072 430543610 /nfs/dbraw/zinc/54/36/10/430543610.db2.gz KVTPJZUSWSWFDU-FZMZJTMJSA-N 2 0 303.381 2.946 20 0 DFADRP COc1ccc([C@@H](C[NH3+])CN2CCOc3ccccc3C2)cc1 ZINC000643057169 430546429 /nfs/dbraw/zinc/54/64/29/430546429.db2.gz MSTBYILWQJBCFP-KRWDZBQOSA-N 2 0 312.413 2.632 20 0 DFADRP C[NH+](C)CC1(C(=O)Nc2ccc(C[NH+]3CCCC3)cc2)CC1 ZINC000639479804 430649976 /nfs/dbraw/zinc/64/99/76/430649976.db2.gz SPWBZLPHRQXTQW-UHFFFAOYSA-N 2 0 301.434 2.563 20 0 DFADRP C[C@@H](NC(=O)[C@H](C)N(C)C[C@H]1CCC[N@H+](C)C1)c1ccccc1 ZINC000639494388 430655580 /nfs/dbraw/zinc/65/55/80/430655580.db2.gz KHEXEZSKOXIYOP-IKGGRYGDSA-N 2 0 317.477 2.526 20 0 DFADRP CCCC[C@H](C)[N@H+](C)CC(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000554958917 430657124 /nfs/dbraw/zinc/65/71/24/430657124.db2.gz ZNENDXNTUZOPTI-FUHWJXTLSA-N 2 0 319.493 2.916 20 0 DFADRP [NH3+][C@@H]1CCC[C@H]1[NH2+][C@H]1CCN(c2ccc(C(F)(F)F)cc2)C1 ZINC000643455570 430602940 /nfs/dbraw/zinc/60/29/40/430602940.db2.gz XIHUPNOTTKFBKT-NWANDNLSSA-N 2 0 313.367 2.754 20 0 DFADRP COC[C@H](CCC[NH3+])[NH2+]CCc1c[nH]c2cc(Cl)ccc12 ZINC000643457488 430603753 /nfs/dbraw/zinc/60/37/53/430603753.db2.gz GICKTJWISIKHMQ-AWEZNQCLSA-N 2 0 309.841 2.707 20 0 DFADRP C[C@H]([NH3+])[C@H]1COCC[C@@H]1[NH2+]CCc1c[nH]c2cc(Cl)ccc12 ZINC000643457547 430604271 /nfs/dbraw/zinc/60/42/71/430604271.db2.gz KXABGFSRFZEBLP-XZJROXQQSA-N 2 0 321.852 2.706 20 0 DFADRP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+][C@H]1CCN(c2ccc(F)cc2F)C1 ZINC000643462720 430604936 /nfs/dbraw/zinc/60/49/36/430604936.db2.gz CQLXXVPSLZQNFY-DUVNUKRYSA-N 2 0 309.404 2.651 20 0 DFADRP c1coc(COCc2cccc(C[NH2+]C3CC[NH2+]CC3)c2)c1 ZINC000643471814 430605531 /nfs/dbraw/zinc/60/55/31/430605531.db2.gz CITPHVKGHYRWDF-UHFFFAOYSA-N 2 0 300.402 2.838 20 0 DFADRP COc1nc(C)cc(C)c1C[NH2+][C@@H](C)c1ccc(C[NH3+])nc1C ZINC000643472495 430606674 /nfs/dbraw/zinc/60/66/74/430606674.db2.gz HHIGMLJFFJPVKG-ZDUSSCGKSA-N 2 0 314.433 2.720 20 0 DFADRP OCc1ccc(CC[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)cc1 ZINC000643478189 430606686 /nfs/dbraw/zinc/60/66/86/430606686.db2.gz BCLKZDJJKNKDSK-GUDVDZBRSA-N 2 0 302.462 2.622 20 0 DFADRP CCOc1ccc(C[C@H](C)C[NH2+][C@@H]2CCOC[C@H]2[C@@H](C)[NH3+])cc1 ZINC000643493856 430608785 /nfs/dbraw/zinc/60/87/85/430608785.db2.gz WDKLRDYKHWNSDT-QGWWYQLQSA-N 2 0 320.477 2.606 20 0 DFADRP COC[C@H]([NH2+]CC1CC[NH2+]CC1)c1cccc(Cl)c1F ZINC000643497177 430608861 /nfs/dbraw/zinc/60/88/61/430608861.db2.gz KNNWSUANFDGPNY-AWEZNQCLSA-N 2 0 300.805 2.756 20 0 DFADRP CCOc1ccc(C[C@H](C)C[NH2+][C@@H]2CCOC[C@H]2[C@H](C)[NH3+])cc1 ZINC000643493857 430609209 /nfs/dbraw/zinc/60/92/09/430609209.db2.gz WDKLRDYKHWNSDT-STEAMIEHSA-N 2 0 320.477 2.606 20 0 DFADRP C[C@@H](Cc1ccccc1)[NH+]1CCC(NC[C@@H]2CCCC[NH2+]2)CC1 ZINC000643502773 430610644 /nfs/dbraw/zinc/61/06/44/430610644.db2.gz QMLKDFFDIFLWGJ-PXNSSMCTSA-N 2 0 315.505 2.814 20 0 DFADRP COc1ccc(C[C@@H](C)[NH2+][C@@H]2CCC[NH2+]CC2)c(C)c1OC ZINC000643522533 430612557 /nfs/dbraw/zinc/61/25/57/430612557.db2.gz ONTPRGSDDJNSKV-CZUORRHYSA-N 2 0 306.450 2.675 20 0 DFADRP C[C@H]([NH2+][C@H]1CC[NH2+]C[C@H]1C)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000643524902 430612920 /nfs/dbraw/zinc/61/29/20/430612920.db2.gz WGJUGVAACAQRFY-XUJVJEKNSA-N 2 0 301.434 2.565 20 0 DFADRP CC[C@H]([NH2+][C@H]1CC12CC[NH2+]CC2)c1ccc(OC)c(OC)c1 ZINC000643534029 430613553 /nfs/dbraw/zinc/61/35/53/430613553.db2.gz JWRRKBMMQQNYSV-YOEHRIQHSA-N 2 0 304.434 2.887 20 0 DFADRP Cc1nn(C)c2sc([C@H](C)[NH2+][C@@H]3CC34CC[NH2+]CC4)cc12 ZINC000643535366 430613944 /nfs/dbraw/zinc/61/39/44/430613944.db2.gz CHHZXGDWBTXDIB-SMDDNHRTSA-N 2 0 304.463 2.736 20 0 DFADRP Cc1nn(C)c2sc([C@@H](C)[NH2+][C@@H]3CC34CC[NH2+]CC4)cc12 ZINC000643535363 430614932 /nfs/dbraw/zinc/61/49/32/430614932.db2.gz CHHZXGDWBTXDIB-BXUZGUMPSA-N 2 0 304.463 2.736 20 0 DFADRP C[C@H]([NH2+][C@@H]1CC[NH2+]C2(CCC2)C1)c1ccc2c(c1)OCCO2 ZINC000643547052 430615264 /nfs/dbraw/zinc/61/52/64/430615264.db2.gz YXPPPRGBLOKKOC-DZGCQCFKSA-N 2 0 302.418 2.783 20 0 DFADRP C[C@@H](CC(=O)Nc1ccccc1)[NH2+][C@@H]1CC[NH2+]C2(CCC2)C1 ZINC000643545679 430615281 /nfs/dbraw/zinc/61/52/81/430615281.db2.gz AHUFSTHRIIETSU-GOEBONIOSA-N 2 0 301.434 2.668 20 0 DFADRP C[C@@H]([NH2+][C@@H]1CC[NH2+]C2(CCC2)C1)c1ccc(-n2cncn2)cc1 ZINC000643545888 430616050 /nfs/dbraw/zinc/61/60/50/430616050.db2.gz DXIJZQMCKNFYGS-GDBMZVCRSA-N 2 0 311.433 2.593 20 0 DFADRP Cn1nccc1[C@@H]1CCC[C@H]([NH2+][C@H]2CC[NH2+]C3(CCC3)C2)C1 ZINC000643548566 430616145 /nfs/dbraw/zinc/61/61/45/430616145.db2.gz RDEMOTSQEGDSOF-PMPSAXMXSA-N 2 0 302.466 2.711 20 0 DFADRP CCO[C@@H]1C[C@H]([NH2+]C[C@@H]2CCN2C2CCCCC2)[C@]12CCCO2 ZINC000639346716 430616829 /nfs/dbraw/zinc/61/68/29/430616829.db2.gz VAIQKVDLJLDLHX-INDMIFKZSA-N 2 0 322.493 2.710 20 0 DFADRP O[C@@H]1CCN([C@@H]2CCC[C@@H]2[NH2+]Cc2ccc(C(F)F)cc2)C1 ZINC000639370044 430622394 /nfs/dbraw/zinc/62/23/94/430622394.db2.gz BOTPTYOPJKFKNC-OWCLPIDISA-N 2 0 310.388 2.702 20 0 DFADRP O[C@H]1CCN([C@@H]2CCC[C@@H]2[NH2+]Cc2cc3cc(F)ccc3o2)C1 ZINC000639369811 430622694 /nfs/dbraw/zinc/62/26/94/430622694.db2.gz KYAVGWUCTAYGAS-BHYGNILZSA-N 2 0 318.392 2.649 20 0 DFADRP Cc1ccc2cc(C[NH2+][C@@H]3CCC[C@@H]3N3CC[C@@H](O)C3)[nH]c2c1 ZINC000639371601 430623939 /nfs/dbraw/zinc/62/39/39/430623939.db2.gz IGMMLTQUCDBDNC-LMMKCTJWSA-N 2 0 313.445 2.554 20 0 DFADRP C[C@H](CCCC(F)(F)F)[NH2+][C@@H]1CCC[C@@H]1N1CC[C@@H](O)C1 ZINC000639373259 430624379 /nfs/dbraw/zinc/62/43/79/430624379.db2.gz PEUAAIJVALJOKC-SYQHCUMBSA-N 2 0 308.388 2.685 20 0 DFADRP COc1nccc(CNC2CC[NH+]([C@H]3CCCC[C@@H]3C)CC2)n1 ZINC000571492585 430629955 /nfs/dbraw/zinc/62/99/55/430629955.db2.gz YQSMPKYOSKHFHW-YOEHRIQHSA-N 2 0 318.465 2.618 20 0 DFADRP CN1CC[NH+](CCCC[NH2+]Cc2ccsc2Cl)CC1 ZINC000571588003 430639537 /nfs/dbraw/zinc/63/95/37/430639537.db2.gz SCRIBYFOLSNRAB-UHFFFAOYSA-N 2 0 301.887 2.519 20 0 DFADRP C[C@@H]([NH2+]C1CC[NH2+]CC1)c1ccc(NC(=O)c2ccncc2)cc1 ZINC000571651871 430644001 /nfs/dbraw/zinc/64/40/01/430644001.db2.gz DJXPZXXGMDJWQS-CQSZACIVSA-N 2 0 324.428 2.737 20 0 DFADRP COc1ccc2c(c1)C[C@@H]([NH2+]C1CC(C)(C)[NH2+]C(C)(C)C1)CO2 ZINC000296211482 277962306 /nfs/dbraw/zinc/96/23/06/277962306.db2.gz ZLUHTYIGNTVBRD-CQSZACIVSA-N 2 0 318.461 2.898 20 0 DFADRP CCc1ccc(NC(=O)[C@@H](C)[NH+]2CCC(CC[NH3+])CC2)cc1 ZINC000572008261 430666457 /nfs/dbraw/zinc/66/64/57/430666457.db2.gz SFMYAXXGCSLDQX-CQSZACIVSA-N 2 0 303.450 2.637 20 0 DFADRP CC(C)[NH+]1CCN([C@@H]2CC[N@@H+]([C@@H]3C=CCCCCC3)C2)CC1 ZINC000555377749 430666668 /nfs/dbraw/zinc/66/66/68/430666668.db2.gz UOWPABCQAGVOJG-RTBURBONSA-N 2 0 305.510 2.976 20 0 DFADRP CSc1ccccc1NC(=O)CC[N@@H+]1CC[C@@H]([NH3+])C[C@H]1C ZINC000572055674 430670816 /nfs/dbraw/zinc/67/08/16/430670816.db2.gz MFUAMECMFUYMQQ-CHWSQXEVSA-N 2 0 307.463 2.549 20 0 DFADRP CC1(C)CO[C@@H](C[NH+]2CCC(CCC[NH+]3CCOCC3)CC2)C1 ZINC000639574311 430674935 /nfs/dbraw/zinc/67/49/35/430674935.db2.gz KAEFEWCUZMXKEY-GOSISDBHSA-N 2 0 324.509 2.626 20 0 DFADRP Cc1ncsc1CN(C)C[C@@H]1CC[N@@H+](C[C@H]2CCO[C@H]2C)C1 ZINC000639614787 430681194 /nfs/dbraw/zinc/68/11/94/430681194.db2.gz HCHIBZLHZZWUHZ-HRCADAONSA-N 2 0 323.506 2.630 20 0 DFADRP CCC(C)(C)[C@H](C)[NH2+]Cc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000572354701 430682894 /nfs/dbraw/zinc/68/28/94/430682894.db2.gz GBOAMHPRDPNDBH-HNNXBMFYSA-N 2 0 304.482 2.748 20 0 DFADRP COc1cncc(/C=C/CC[N@H+](C)C[C@H]2CCC[NH+](C)C2)c1 ZINC000572359502 430683398 /nfs/dbraw/zinc/68/33/98/430683398.db2.gz KWYXPHRYFRBQLU-BBOMDTFKSA-N 2 0 303.450 2.767 20 0 DFADRP C[C@@H]1CC[N@H+](CC[C@@H]2CCC[NH+]2C)C[C@H]1C(=O)OC(C)(C)C ZINC000572479855 430688539 /nfs/dbraw/zinc/68/85/39/430688539.db2.gz NDYZNWMMPWVPRB-OWCLPIDISA-N 2 0 310.482 2.770 20 0 DFADRP CN1CCN(c2ncc(-c3ccc(Cl)cc3)s2)[C@H](C[NH3+])C1 ZINC000572501770 430688916 /nfs/dbraw/zinc/68/89/16/430688916.db2.gz QZZVWJINFHIWPP-CYBMUJFWSA-N 2 0 322.865 2.543 20 0 DFADRP CSC(C)(C)C[NH2+][C@@H]1CC[N@H+](C[C@@H]2CCCO2)C[C@@H]1C ZINC000361240720 278121578 /nfs/dbraw/zinc/12/15/78/278121578.db2.gz QNRWSIHZMYYKSZ-SOUVJXGZSA-N 2 0 300.512 2.607 20 0 DFADRP C[C@@]1([NH3+])CCCC[C@H]1C(=O)NC1CC[NH+](CC2CCCC2)CC1 ZINC000263176587 278126317 /nfs/dbraw/zinc/12/63/17/278126317.db2.gz GGYCRAYYHGNZBH-PKOBYXMFSA-N 2 0 321.509 2.665 20 0 DFADRP CC(C)n1cc2c(n1)C[C@H]([NH2+][C@H]1CC[N@@H+]3CCC[C@@H]3C1)CC2 ZINC000358287153 278130109 /nfs/dbraw/zinc/13/01/09/278130109.db2.gz IWDPROZZPLWYII-IXDOHACOSA-N 2 0 302.466 2.538 20 0 DFADRP CCn1c2ccccc2nc1C[NH2+]CC[C@H]1CCC[N@H+](C)C1 ZINC000556782411 430692232 /nfs/dbraw/zinc/69/22/32/430692232.db2.gz XQNJOIUNDOAXML-OAHLLOKOSA-N 2 0 300.450 2.878 20 0 DFADRP C[NH+]1CCC(CC[NH2+]C[C@H](O)Cc2cccc(Cl)c2)CC1 ZINC000572511681 430689070 /nfs/dbraw/zinc/68/90/70/430689070.db2.gz MESZMQGTUIEAQB-QGZVFWFLSA-N 2 0 310.869 2.565 20 0 DFADRP CC1(C)CC([NH2+][C@H]2CCO[C@@H](C(F)(F)F)C2)CC(C)(C)[NH2+]1 ZINC000314766970 278191065 /nfs/dbraw/zinc/19/10/65/278191065.db2.gz JBVUPNVXHJCDIM-CMPLNLGQSA-N 2 0 308.388 2.995 20 0 DFADRP CC(=O)Nc1ccccc1C[N@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000366958125 278212526 /nfs/dbraw/zinc/21/25/26/278212526.db2.gz JIVUNBBBOOTKAO-UHFFFAOYSA-N 2 0 315.461 2.953 20 0 DFADRP CC(C)[NH2+]CCC(=O)Nc1cccc(C[NH+]2CCCCC2)c1 ZINC000556792582 430692806 /nfs/dbraw/zinc/69/28/06/430692806.db2.gz NIUAUVSCQBYUKD-UHFFFAOYSA-N 2 0 303.450 2.999 20 0 DFADRP C[C@@H](CN1CC[NH+](C)CC1)[NH2+][C@@H]1CC[C@H](C)c2ccccc21 ZINC000155062437 278261019 /nfs/dbraw/zinc/26/10/19/278261019.db2.gz HMHQSZVHFHFYHA-TXPKVOOTSA-N 2 0 301.478 2.851 20 0 DFADRP CN(CCC[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@H]21)c1ccccc1 ZINC000556875642 430695411 /nfs/dbraw/zinc/69/54/11/430695411.db2.gz AHQSZGZJJHOHAN-OTWHNJEPSA-N 2 0 301.478 2.975 20 0 DFADRP C[C@@H](C[NH2+][C@@H]1CCc2cc(Cl)ccc21)N1CC[NH+](C)CC1 ZINC000127744549 278285685 /nfs/dbraw/zinc/28/56/85/278285685.db2.gz WKOAJGOANJARQA-SUMWQHHRSA-N 2 0 307.869 2.553 20 0 DFADRP C[C@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](CCC2CC[NH2+]CC2)C1 ZINC000359226044 278333616 /nfs/dbraw/zinc/33/36/16/278333616.db2.gz VPFDNQILOHTYNC-HKUYNNGSSA-N 3 0 307.526 2.963 20 0 DFADRP C[C@H]1CCC[N@H+](CCCC[NH2+][C@H]2CCCc3c2cnn3C)C1 ZINC000247140686 278341939 /nfs/dbraw/zinc/34/19/39/278341939.db2.gz SHULJKMBWNCRDH-RDJZCZTQSA-N 2 0 304.482 2.899 20 0 DFADRP C[NH+](C)[C@H](CN[C@@H]1CC[N@H+](C)[C@H]2CCC[C@H]21)C1CCCCC1 ZINC000556874962 430695498 /nfs/dbraw/zinc/69/54/98/430695498.db2.gz HRNARYJQZMABII-ZSYWTGECSA-N 2 0 307.526 2.959 20 0 DFADRP CC1(C)C[C@H]([NH2+]CCC[N@@H+]2CCC[C@@H](C(N)=O)C2)C(C)(C)O1 ZINC000330670442 278388342 /nfs/dbraw/zinc/38/83/42/278388342.db2.gz DJPOCMGGQYJIRJ-KGLIPLIRSA-N 2 0 311.470 2.559 20 0 DFADRP CC(C)Cc1ccc([C@@H](CNC(=O)[C@H](C)[NH+](C)C)[NH+](C)C)cc1 ZINC000644323726 430721036 /nfs/dbraw/zinc/72/10/36/430721036.db2.gz QFLIGILSOIMYFT-MAUKXSAKSA-N 2 0 319.493 2.554 20 0 DFADRP Cc1cc(C)c(C[NH2+]C2CCN([C@H]3CCOC3)CC2)cc1C ZINC000657750223 430724818 /nfs/dbraw/zinc/72/48/18/430724818.db2.gz DRXYTRGKZGGMDK-IBGZPJMESA-N 2 0 302.462 2.955 20 0 DFADRP c1cc2cc(C[NH2+]C3CCN([C@@H]4CCOC4)CC3)ccc2o1 ZINC000657751438 430725293 /nfs/dbraw/zinc/72/52/93/430725293.db2.gz JENJWVLAKHXBKU-QGZVFWFLSA-N 2 0 300.402 2.776 20 0 DFADRP Fc1ccc(/C=C/C[NH2+]C2CCN([C@H]3CCOC3)CC2)c(F)c1 ZINC000657751203 430726315 /nfs/dbraw/zinc/72/63/15/430726315.db2.gz HBCLPTYBNKOOAH-IMLGJKEDSA-N 2 0 322.399 2.821 20 0 DFADRP CO[C@@H](C[NH2+]Cc1ccc(OCC[NH+](C)C)cc1)C1CCCC1 ZINC000657766455 430729609 /nfs/dbraw/zinc/72/96/09/430729609.db2.gz IQWTYVWPUXWRPL-IBGZPJMESA-N 2 0 320.477 2.922 20 0 DFADRP Cn1cncc1C[NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CC12CCC2 ZINC000657772032 430732445 /nfs/dbraw/zinc/73/24/45/430732445.db2.gz IXRJKQIIHODIIK-GOSISDBHSA-N 2 0 324.472 2.812 20 0 DFADRP CC(C)[NH+]1CCC([NH2+]CCC(=O)Nc2ccccc2F)CC1 ZINC000644513451 430739665 /nfs/dbraw/zinc/73/96/65/430739665.db2.gz IZKRRGREVGMRBF-UHFFFAOYSA-N 2 0 307.413 2.617 20 0 DFADRP O=C(CC[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1)Nc1cc(F)cc(F)c1 ZINC000644524081 430743376 /nfs/dbraw/zinc/74/33/76/430743376.db2.gz PRBVLYBVXGKKHT-HOCLYGCPSA-N 2 0 323.387 2.510 20 0 DFADRP Cc1c(Cl)c(C[NH2+]CC2CC[NH+](CC3CC3)CC2)nn1C ZINC000657814033 430744006 /nfs/dbraw/zinc/74/40/06/430744006.db2.gz FTTIHWMXKUSKSU-UHFFFAOYSA-N 2 0 310.873 2.594 20 0 DFADRP Cn1ncc(C2CCC2)c1C[NH2+]CC1CC[NH+](CC2CC2)CC1 ZINC000657816652 430744583 /nfs/dbraw/zinc/74/45/83/430744583.db2.gz YUHLBCHRHLCUNN-UHFFFAOYSA-N 2 0 316.493 2.899 20 0 DFADRP CC[C@H]([NH2+]C[C@H](C)CN1CC[NH+](C)CC1)c1ccccc1OC ZINC000121042050 288047316 /nfs/dbraw/zinc/04/73/16/288047316.db2.gz ZIYRRLOJFYSGML-WMZOPIPTSA-N 2 0 319.493 2.619 20 0 DFADRP CC[NH+]1CCN([C@@H](C)C[NH2+][C@@H](C)c2cc3cnccc3o2)CC1 ZINC000657835270 430750217 /nfs/dbraw/zinc/75/02/17/430750217.db2.gz FCPFJHSIMSTILX-GJZGRUSLSA-N 2 0 316.449 2.504 20 0 DFADRP CN(Cc1ccccc1)C[C@H](O)C[NH2+][C@H]1C[C@]1(C)c1ccccc1 ZINC000644574673 430755876 /nfs/dbraw/zinc/75/58/76/430755876.db2.gz BIKRMGRTTZOUGD-QHAWAJNXSA-N 2 0 324.468 2.799 20 0 DFADRP CC[C@H](Cc1ccc(C(F)(F)F)cc1)[NH2+]C[C@@H](O)CN(C)C ZINC000657876036 430759562 /nfs/dbraw/zinc/75/95/62/430759562.db2.gz SZFPNBSCELNGKD-HUUCEWRRSA-N 2 0 318.383 2.539 20 0 DFADRP C[C@@H]1CCC[C@H](C)[C@H]1[NH2+]Cc1ccnc(OCC[NH+](C)C)c1 ZINC000358235099 278511158 /nfs/dbraw/zinc/51/11/58/278511158.db2.gz HZNYDTHLBBCAND-HWWDLCQESA-N 2 0 305.466 2.936 20 0 DFADRP O[C@@H]1CC[N@H+](Cc2ccccc2C[NH2+][C@H]2CCCSCC2)C1 ZINC000657969744 430777821 /nfs/dbraw/zinc/77/78/21/430777821.db2.gz UJIYHMZTEVDLBP-ZWKOTPCHSA-N 2 0 320.502 2.629 20 0 DFADRP Cc1cc2ncn(C[C@H](O)CN[C@H]3CCCC3(F)F)c2cc1C ZINC000644647519 430778703 /nfs/dbraw/zinc/77/87/03/430778703.db2.gz BEJDBEZLMDQXNR-CJNGLKHVSA-N 2 0 323.387 2.791 20 0 DFADRP COc1ccc2c(c1)[C@@H]([NH2+][C@@H](C)CN(C)CCC[NH+](C)C)CC2 ZINC000658109681 430814620 /nfs/dbraw/zinc/81/46/20/430814620.db2.gz URBXEORHVXQXEO-KXBFYZLASA-N 2 0 319.493 2.544 20 0 DFADRP C[C@@H](CN(C)CCC[NH+](C)C)[NH2+][C@@H]1CCc2cc(F)ccc21 ZINC000658109682 430815277 /nfs/dbraw/zinc/81/52/77/430815277.db2.gz URDXDSIYNPGIQA-KBXCAEBGSA-N 2 0 307.457 2.675 20 0 DFADRP CC[C@@H]([NH2+]Cc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1)C1CCC1 ZINC000658136417 430820929 /nfs/dbraw/zinc/82/09/29/430820929.db2.gz IEPVQRUHIOKYHX-RTBURBONSA-N 2 0 302.462 2.922 20 0 DFADRP CC[NH+]1CCC([NH2+]C[C@@](C)(COCc2ccccc2)OC)CC1 ZINC000658131615 430821255 /nfs/dbraw/zinc/82/12/55/430821255.db2.gz FBBVATADUBSOTJ-IBGZPJMESA-N 2 0 320.477 2.682 20 0 DFADRP CO[C@](C)(C[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1)COCc1ccccc1 ZINC000658133381 430821454 /nfs/dbraw/zinc/82/14/54/430821454.db2.gz QNOWWNFDVPOYCN-YTQUADARSA-N 2 0 320.477 2.681 20 0 DFADRP Cn1cncc1CCCN1CCOC[C@H]1c1cccc(F)c1 ZINC000661733341 430824155 /nfs/dbraw/zinc/82/41/55/430824155.db2.gz ANHPVRMKTCOZHO-KRWDZBQOSA-N 2 0 303.381 2.565 20 0 DFADRP CC(C)c1nn(C)c(N(C)C)c1C[NH2+]CCCC[N@H+](C)C1CC1 ZINC000651600481 430829126 /nfs/dbraw/zinc/82/91/26/430829126.db2.gz GXEJNKZJVZSFGF-UHFFFAOYSA-N 2 0 321.513 2.574 20 0 DFADRP COC[C@@H]([NH2+][C@@H](C)C1CC[NH+](C)CC1)c1cccc(OC)c1 ZINC000658162545 430831065 /nfs/dbraw/zinc/83/10/65/430831065.db2.gz FIZBRWPZYBMHPX-KBXCAEBGSA-N 2 0 306.450 2.703 20 0 DFADRP COC1([C@@H](C)[NH2+]CC2CC[NH+](Cc3ccncc3)CC2)CCC1 ZINC000658164349 430831235 /nfs/dbraw/zinc/83/12/35/430831235.db2.gz NIAMGXWRYXDJJR-MRXNPFEDSA-N 2 0 317.477 2.841 20 0 DFADRP CC[C@@H]([NH2+]CC1CC[NH+](Cc2ccncc2)CC1)[C@H]1CCOC1 ZINC000658166789 430833205 /nfs/dbraw/zinc/83/32/05/430833205.db2.gz OVIDCAHKMWPPRP-RBUKOAKNSA-N 2 0 317.477 2.698 20 0 DFADRP Cc1n[nH]cc1[C@@H](C)[NH2+]CC1CC[NH+](Cc2ccncc2)CC1 ZINC000658165722 430833388 /nfs/dbraw/zinc/83/33/88/430833388.db2.gz KXSVHMWHJIACSH-CQSZACIVSA-N 2 0 313.449 2.676 20 0 DFADRP C[C@@H](Cc1ccccc1)[NH+]1CCC(N[C@H]2CCC[N@H+](C)C2)CC1 ZINC000648432552 430784401 /nfs/dbraw/zinc/78/44/01/430784401.db2.gz XDAWZWKJCQOMCQ-PXNSSMCTSA-N 2 0 315.505 2.766 20 0 DFADRP Cc1cc2ncc([C@H](C)[NH2+]C[C@H]3CCN3C(C)(C)C)c(C)n2n1 ZINC000658053441 430793531 /nfs/dbraw/zinc/79/35/31/430793531.db2.gz AWZFVEORAZAZBQ-DZGCQCFKSA-N 2 0 315.465 2.870 20 0 DFADRP C[C@@H]([NH2+]C[C@@H]1CCN1C(C)(C)C)c1cccc(-n2ccnn2)c1 ZINC000658060866 430795803 /nfs/dbraw/zinc/79/58/03/430795803.db2.gz NMMBZJLAPAKJIL-PBHICJAKSA-N 2 0 313.449 2.791 20 0 DFADRP C[C@@H]([NH2+]C[C@H]1CCN1C(C)(C)C)c1ccccc1-n1ccnn1 ZINC000658061539 430796509 /nfs/dbraw/zinc/79/65/09/430796509.db2.gz OWEGCXGLOSBDCB-HUUCEWRRSA-N 2 0 313.449 2.791 20 0 DFADRP C[C@H]([NH2+]C[C@@H]1CCN1C(C)(C)C)c1ccccc1-n1ccnn1 ZINC000658061537 430796701 /nfs/dbraw/zinc/79/67/01/430796701.db2.gz OWEGCXGLOSBDCB-GJZGRUSLSA-N 2 0 313.449 2.791 20 0 DFADRP CO[C@@H]1[C@H](C)[C@H]([NH2+]CC2CC[NH+](C3CCOCC3)CC2)C1(C)C ZINC000658068745 430797548 /nfs/dbraw/zinc/79/75/48/430797548.db2.gz YTKMPJCIJGJMND-FHLIZLRMSA-N 2 0 324.509 2.527 20 0 DFADRP FCC[C@@H]1CCC[C@@H]1[NH2+]CC1CC[NH+](C2CCOCC2)CC1 ZINC000658070062 430797986 /nfs/dbraw/zinc/79/79/86/430797986.db2.gz KMURSFAUHUJVJJ-WMZOPIPTSA-N 2 0 312.473 2.995 20 0 DFADRP CC(C)(C)OC1CC([NH2+]CC2CC[NH+](C3CCOCC3)CC2)C1 ZINC000658070160 430798214 /nfs/dbraw/zinc/79/82/14/430798214.db2.gz NCRKGOIACWEAPK-UHFFFAOYSA-N 2 0 324.509 2.813 20 0 DFADRP Cn1cc(C[C@H]2CCC[C@@H]2[NH2+]C2CC[NH+](CC3CC3)CC2)cn1 ZINC000658231705 430846886 /nfs/dbraw/zinc/84/68/86/430846886.db2.gz CKPHOQFRRKQQCF-MJGOQNOKSA-N 2 0 316.493 2.595 20 0 DFADRP c1cc(C[NH2+][C@H]2CCC[NH2+]CC2)cc(COC[C@H]2CCCO2)c1 ZINC000665295035 430888888 /nfs/dbraw/zinc/88/88/88/430888888.db2.gz ZZECUBPFCGJVNJ-RBUKOAKNSA-N 2 0 318.461 2.614 20 0 DFADRP CN1C[C@@H](C[NH2+]C2CC[NH+](C(C)(C)CC(C)(C)C)CC2)CC1=O ZINC000658242773 430851598 /nfs/dbraw/zinc/85/15/98/430851598.db2.gz VNCHLLFQIVYABT-OAHLLOKOSA-N 2 0 323.525 2.734 20 0 DFADRP COc1cc(OC)c(C[NH2+]CCC2CC[NH+](C)CC2)cc1F ZINC000651705819 430854484 /nfs/dbraw/zinc/85/44/84/430854484.db2.gz HFYZRTPYTPYFIU-UHFFFAOYSA-N 2 0 310.413 2.664 20 0 DFADRP CN(C)CC[NH+]1CCC(C[NH2+]Cc2cccc3c2CCC3)CC1 ZINC000651705902 430854587 /nfs/dbraw/zinc/85/45/87/430854587.db2.gz LLZFTFOOYZKPNU-UHFFFAOYSA-N 2 0 315.505 2.539 20 0 DFADRP Cc1cncc(CC[NH2+]C2CC[NH+]([C@H]3CCC[C@H](C)C3)CC2)n1 ZINC000658260307 430857442 /nfs/dbraw/zinc/85/74/42/430857442.db2.gz ATSPPHAGFDRSLX-KXBFYZLASA-N 2 0 316.493 2.960 20 0 DFADRP COC1CC(CC[NH2+][C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)C1 ZINC000665230277 430861526 /nfs/dbraw/zinc/86/15/26/430861526.db2.gz LYJVJFCUGJGSJP-WNQHEHQFSA-N 2 0 316.445 2.647 20 0 DFADRP CC(=O)NCc1ccc(C[NH2+][C@H](C)C[C@H]2CCCCC[NH2+]2)cc1 ZINC000665235258 430864412 /nfs/dbraw/zinc/86/44/12/430864412.db2.gz STOYNHXQNPZDCQ-DNVCBOLYSA-N 2 0 317.477 2.723 20 0 DFADRP Fc1c(C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)cccc1OC1CC1 ZINC000665244046 430866055 /nfs/dbraw/zinc/86/60/55/430866055.db2.gz FNRXQPXJCPFWFB-AEGPPILISA-N 2 0 304.409 2.845 20 0 DFADRP Cc1nn(-c2cccc(C)c2)cc1CN(C)C[C@H]1CC[N@H+](C)C1 ZINC000651774722 430872709 /nfs/dbraw/zinc/87/27/09/430872709.db2.gz OWRIXXIYHGHAKO-KRWDZBQOSA-N 2 0 312.461 2.873 20 0 DFADRP COc1ccc(-c2cc(C[NH2+][C@H]3CCC[C@H]3C[NH3+])on2)cc1 ZINC000665261466 430872689 /nfs/dbraw/zinc/87/26/89/430872689.db2.gz CURAXCFBLRXJTP-BBRMVZONSA-N 2 0 301.390 2.567 20 0 DFADRP COc1ccc(-c2cc(C[NH2+][C@H]3CCCC[C@H]3C[NH3+])on2)cc1 ZINC000665262343 430874081 /nfs/dbraw/zinc/87/40/81/430874081.db2.gz YVQFRJIMLBEWIQ-YOEHRIQHSA-N 2 0 315.417 2.957 20 0 DFADRP CNC(=O)CC1(C[NH2+][C@@H](C)C[C@H]2CCCCC[NH2+]2)CCCCC1 ZINC000665275513 430878003 /nfs/dbraw/zinc/87/80/03/430878003.db2.gz MFAAZKFKRCZRGC-DLBZAZTESA-N 2 0 323.525 2.973 20 0 DFADRP CC(C)(C)[NH+]1CCC([NH2+]CC2(CC(N)=O)CCCCC2)CC1 ZINC000658336988 430878720 /nfs/dbraw/zinc/87/87/20/430878720.db2.gz DTQCRGKPEIGVEL-UHFFFAOYSA-N 2 0 309.498 2.665 20 0 DFADRP FC1(F)CC12CCC([NH2+][C@@H]1CCOC[C@H]1[C@@H]1CCC[NH2+]1)CC2 ZINC000665273801 430878998 /nfs/dbraw/zinc/87/89/98/430878998.db2.gz DMNLOEDFDHMTFE-KEPFICHZSA-N 2 0 314.420 2.701 20 0 DFADRP CC1=C(C)C[C@@H](C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)CC1 ZINC000648781397 430889599 /nfs/dbraw/zinc/88/95/99/430889599.db2.gz GDGWBANXEDRUAQ-SFHVURJKSA-N 2 0 323.525 2.855 20 0 DFADRP CNC(=O)CC1(C[NH2+][C@H](C)C[C@@H]2CCCCC[NH2+]2)CCCCC1 ZINC000665275516 430879128 /nfs/dbraw/zinc/87/91/28/430879128.db2.gz MFAAZKFKRCZRGC-SJORKVTESA-N 2 0 323.525 2.973 20 0 DFADRP COc1cc(NC(C)=O)ccc1[C@H](C)[NH2+]CC[C@@H]([NH3+])C(C)C ZINC000665281090 430880621 /nfs/dbraw/zinc/88/06/21/430880621.db2.gz UKVRESUEFRREEV-BLLLJJGKSA-N 2 0 307.438 2.678 20 0 DFADRP CC(C)[C@H]([NH3+])CC[NH2+][C@H](C)c1cccc(OCC[NH+](C)C)c1 ZINC000665281212 430881165 /nfs/dbraw/zinc/88/11/65/430881165.db2.gz XJWRXAHRGLQCHL-CRAIPNDOSA-N 3 0 307.482 2.651 20 0 DFADRP CC(C)[C@H]([NH3+])CC[NH2+][C@H](C)c1ccc(NC(=O)NC2CC2)cc1 ZINC000665280993 430881287 /nfs/dbraw/zinc/88/12/87/430881287.db2.gz REUIQPSIIIOBSJ-CXAGYDPISA-N 2 0 318.465 2.995 20 0 DFADRP CC(C)[C@H]([NH3+])CC[NH2+][C@@H](C)c1cccc(N2CCOCC2)c1 ZINC000665281199 430881434 /nfs/dbraw/zinc/88/14/34/430881434.db2.gz WWICKKXWQFWLAB-MAUKXSAKSA-N 2 0 305.466 2.547 20 0 DFADRP C[C@@H]([NH2+]CC1CC[NH+](CC2CC2)CC1)c1cc2n(n1)CCC2 ZINC000658353320 430882699 /nfs/dbraw/zinc/88/26/99/430882699.db2.gz LQQNNGPWLQLTAU-CQSZACIVSA-N 2 0 302.466 2.602 20 0 DFADRP O[C@H]1C[C@H]([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]3CCC[C@H]32)C1 ZINC000658347833 430883011 /nfs/dbraw/zinc/88/30/11/430883011.db2.gz HTHVCVVTQHAAJC-LTFXXXRZSA-N 2 0 300.446 2.543 20 0 DFADRP O[C@H]1C[C@H]([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]3CCC[C@@H]32)C1 ZINC000658347831 430883100 /nfs/dbraw/zinc/88/31/00/430883100.db2.gz HTHVCVVTQHAAJC-FVVUREQNSA-N 2 0 300.446 2.543 20 0 DFADRP C[C@@H]([NH2+]C(C)(C)CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)c1ccccc1 ZINC000648768105 430884462 /nfs/dbraw/zinc/88/44/62/430884462.db2.gz PZKMQKYJOPYSMA-BFYDXBDKSA-N 2 0 317.477 2.572 20 0 DFADRP CN(CC[N@H+](C)Cc1cccc2c1CCC2)C1CC[NH+](C)CC1 ZINC000651808503 430884449 /nfs/dbraw/zinc/88/44/49/430884449.db2.gz TZEMXNPLYVWNAV-UHFFFAOYSA-N 2 0 315.505 2.633 20 0 DFADRP OCC1CC([NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC000658357258 430885157 /nfs/dbraw/zinc/88/51/57/430885157.db2.gz UCFHRNNTWGQBQZ-QHPSASCESA-N 2 0 300.446 2.543 20 0 DFADRP C[NH2+]CCCC(=O)N1CCC([NH2+][C@H](C)[C@H]2CCCC[C@H]2C)CC1 ZINC000665289186 430885924 /nfs/dbraw/zinc/88/59/24/430885924.db2.gz INESQBYFIRASDE-NUJGCVRESA-N 2 0 323.525 2.781 20 0 DFADRP C[NH2+]CCCC(=O)N1CCC([NH2+][C@H]2CCCC23CCCC3)CC1 ZINC000665289253 430886485 /nfs/dbraw/zinc/88/64/85/430886485.db2.gz JPTPKPYOZGMKSI-KRWDZBQOSA-N 2 0 321.509 2.680 20 0 DFADRP CCCC[C@@H](C)[C@H](C)[NH2+]C1CCN(C(=O)CCC[NH2+]C)CC1 ZINC000665289679 430886778 /nfs/dbraw/zinc/88/67/78/430886778.db2.gz USFHQQKCSTUAFC-CVEARBPZSA-N 2 0 311.514 2.781 20 0 DFADRP COc1ccccc1-c1cc(C[NH2+][C@H]2CCCC[C@H]2C[NH3+])on1 ZINC000665299764 430890994 /nfs/dbraw/zinc/89/09/94/430890994.db2.gz SFKKQXMMVQDEKJ-BBRMVZONSA-N 2 0 315.417 2.957 20 0 DFADRP COc1ccccc1-c1cc(C[NH2+][C@H]2CCC[C@H]2C[NH3+])on1 ZINC000665299948 430891053 /nfs/dbraw/zinc/89/10/53/430891053.db2.gz VOFCUFCGJULWLV-WFASDCNBSA-N 2 0 301.390 2.567 20 0 DFADRP COc1ccccc1-c1cc(C[NH2+][C@@H]2CCC[C@H]2C[NH3+])on1 ZINC000665299947 430891104 /nfs/dbraw/zinc/89/11/04/430891104.db2.gz VOFCUFCGJULWLV-SWLSCSKDSA-N 2 0 301.390 2.567 20 0 DFADRP CC(C)(C[NH2+]Cc1cc(C2CC[NH2+]CC2)no1)[C@H]1CCCCO1 ZINC000645075924 430896974 /nfs/dbraw/zinc/89/69/74/430896974.db2.gz YWZNNXXASVQMFN-QGZVFWFLSA-N 2 0 321.465 2.827 20 0 DFADRP C[C@@H](C[NH+]1CCN(CC[NH+]2CCCC2)CC1)C1CCCCC1 ZINC000645076835 430897188 /nfs/dbraw/zinc/89/71/88/430897188.db2.gz XHDCVSHNLBHDIR-SFHVURJKSA-N 2 0 307.526 2.916 20 0 DFADRP C[C@H](C[NH+]1CCC(N2CCC[C@@H]2C(N)=O)CC1)C1CCCCC1 ZINC000645100402 430902768 /nfs/dbraw/zinc/90/27/68/430902768.db2.gz CUQZGKXENDLSCV-CRAIPNDOSA-N 2 0 321.509 2.617 20 0 DFADRP CC(C)(C)[NH+]1CCC([NH2+]C[C@]2(CO)CCc3ccccc32)CC1 ZINC000651884824 430905123 /nfs/dbraw/zinc/90/51/23/430905123.db2.gz QJMHJEWQOTUBJZ-FQEVSTJZSA-N 2 0 316.489 2.715 20 0 DFADRP CC[NH+]1CCC([NH2+]CCc2ccc3c(c2)OC(F)(F)O3)CC1 ZINC000652041749 430944712 /nfs/dbraw/zinc/94/47/12/430944712.db2.gz PSYWWFIJQFUCPE-UHFFFAOYSA-N 2 0 312.360 2.625 20 0 DFADRP CC(C)[C@H](C(=O)N[C@H]1CCC[N@@H+]2CCCC[C@H]12)[NH+]1CCCCC1 ZINC000655348569 430971867 /nfs/dbraw/zinc/97/18/67/430971867.db2.gz BZJOXLHHELASOX-RCCFBDPRSA-N 2 0 321.509 2.630 20 0 DFADRP C[NH+](C)CC1(C(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@H]23)CCCCC1 ZINC000655351181 430973059 /nfs/dbraw/zinc/97/30/59/430973059.db2.gz PGRHTBQBMJBMQJ-IAGOWNOFSA-N 2 0 321.509 2.632 20 0 DFADRP C[NH+]1CCC(O)(C[NH2+][C@H](c2cccnc2)C2CCCCC2)CC1 ZINC000652153319 430975062 /nfs/dbraw/zinc/97/50/62/430975062.db2.gz GURVQHKUVMVRNG-SFHVURJKSA-N 2 0 317.477 2.749 20 0 DFADRP CCCOc1cccc(CN2CCC([N@@H+]3CC[C@@H](O)C3)CC2)c1 ZINC000662152765 430979517 /nfs/dbraw/zinc/97/95/17/430979517.db2.gz ZMKKGGUVFCLRLL-GOSISDBHSA-N 2 0 318.461 2.506 20 0 DFADRP O[C@@H]1CC[N@@H+](C2CC[NH+]([C@H]3CCCc4ccccc43)CC2)C1 ZINC000662156008 430983764 /nfs/dbraw/zinc/98/37/64/430983764.db2.gz KCYAKKIFZATSAX-MJGOQNOKSA-N 2 0 300.446 2.595 20 0 DFADRP CC[N@H+](CCCNC(=O)N[C@@H]1CCC[C@@H]([NH3+])C1)C1CCCCC1 ZINC000652216135 430989421 /nfs/dbraw/zinc/98/94/21/430989421.db2.gz JVMPLSUYHIGVCC-HZPDHXFCSA-N 2 0 324.513 2.600 20 0 DFADRP CC(C)C[N@H+](C)CCC[NH2+]C1CCC(O)(C(F)(F)F)CC1 ZINC000652222014 430991367 /nfs/dbraw/zinc/99/13/67/430991367.db2.gz CPSCBGRFBJRHKP-UHFFFAOYSA-N 2 0 310.404 2.790 20 0 DFADRP CC[N@H+](CCCNC(=O)N1CCCC[C@@H]1C[NH3+])C1CCCCC1 ZINC000652227531 430994756 /nfs/dbraw/zinc/99/47/56/430994756.db2.gz JJYCQRGXIMCSBB-QGZVFWFLSA-N 2 0 324.513 2.554 20 0 DFADRP CC[N@H+](CCOc1ccccc1OC)CC[C@H]1CCC[NH+]1C ZINC000662205543 430997909 /nfs/dbraw/zinc/99/79/09/430997909.db2.gz PWVHNFGVTHEZLP-MRXNPFEDSA-N 2 0 306.450 2.880 20 0 DFADRP CC(C)[NH2+]CC(=O)NC[C@@H](c1cccs1)[NH+]1CCC(C)CC1 ZINC000659263484 431003005 /nfs/dbraw/zinc/00/30/05/431003005.db2.gz ZYDLZOWXMJHWRM-HNNXBMFYSA-N 2 0 323.506 2.635 20 0 DFADRP CC1(C)C[NH2+][C@@H]1C(=O)Nc1cccc(C[NH+]2CCCCC2)c1 ZINC000645464825 431008984 /nfs/dbraw/zinc/00/89/84/431008984.db2.gz DGYXTERWTOQYGK-MRXNPFEDSA-N 2 0 301.434 2.609 20 0 DFADRP CCCN(C(=O)C[C@@H](c1ccccc1)[NH+](C)C)[C@H]1CC[N@H+](C)C1 ZINC000648996658 430964094 /nfs/dbraw/zinc/96/40/94/430964094.db2.gz XLRDWZBSOCKJRE-ROUUACIJSA-N 2 0 317.477 2.622 20 0 DFADRP Cc1nccn1[C@H]1CCC[N@H+](Cc2cccc3c2CC[NH2+]C3)C1 ZINC000662265753 431021879 /nfs/dbraw/zinc/02/18/79/431021879.db2.gz ZACRHCNULHBYSA-SFHVURJKSA-N 2 0 310.445 2.674 20 0 DFADRP CCn1cc(C2CC[NH+](Cc3cccc4c3CC[NH2+]C4)CC2)cn1 ZINC000662260861 431023042 /nfs/dbraw/zinc/02/30/42/431023042.db2.gz RZQANWNHZYKTRH-UHFFFAOYSA-N 2 0 324.472 2.928 20 0 DFADRP c1ccc(NC[C@H]2CC[N@H+](Cc3ccc4c(c3)C[NH2+]CC4)C2)nc1 ZINC000652340018 431024743 /nfs/dbraw/zinc/02/47/43/431024743.db2.gz YHWFPBLLYBRYFO-QGZVFWFLSA-N 2 0 322.456 2.661 20 0 DFADRP c1ccc(NC[C@@H]2CC[N@H+](Cc3ccc4c(c3)C[NH2+]CC4)C2)nc1 ZINC000652340017 431025953 /nfs/dbraw/zinc/02/59/53/431025953.db2.gz YHWFPBLLYBRYFO-KRWDZBQOSA-N 2 0 322.456 2.661 20 0 DFADRP Cc1ccc(F)cc1NC(=O)[C@@H](C)N1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000652351808 431026932 /nfs/dbraw/zinc/02/69/32/431026932.db2.gz YKYZVCBGULYMFT-GLJUWKHASA-N 2 0 319.424 2.522 20 0 DFADRP Cc1ccccc1-c1nc(CN2C[C@@H]3CCC[C@]3(C[NH3+])C2)no1 ZINC000652352248 431027032 /nfs/dbraw/zinc/02/70/32/431027032.db2.gz XCYRQAFAPSLKQK-KSSFIOAISA-N 2 0 312.417 2.606 20 0 DFADRP C[C@H](C(=O)Nc1ccccc1Cl)N1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000652351194 431027143 /nfs/dbraw/zinc/02/71/43/431027143.db2.gz LYZIKBXGYRTEOT-IGCXYCKISA-N 2 0 321.852 2.728 20 0 DFADRP Cc1cc(C[N@@H+]2CCCC[C@H]2[C@@H](C[NH3+])Cc2ccccc2)ncn1 ZINC000662271724 431027424 /nfs/dbraw/zinc/02/74/24/431027424.db2.gz YOABRJXSYVEQBO-QUCCMNQESA-N 2 0 324.472 2.957 20 0 DFADRP CCC(C)(C)[NH+]1CCN(C(=O)CC2(C[NH3+])CCCCC2)CC1 ZINC000655493320 431029467 /nfs/dbraw/zinc/02/94/67/431029467.db2.gz FTFFRQDMJFUCTN-UHFFFAOYSA-N 2 0 309.498 2.619 20 0 DFADRP CCC(C)(C)[NH+]1CCN(C(=O)c2ccc([C@@H](C)[NH3+])cc2)CC1 ZINC000655495830 431029573 /nfs/dbraw/zinc/02/95/73/431029573.db2.gz XISQYWQUSBWROC-CQSZACIVSA-N 2 0 303.450 2.653 20 0 DFADRP COc1ccc([C@H](C[NH3+])C[NH+]2CCC3(CC3(F)F)CC2)cc1 ZINC000652353239 431030014 /nfs/dbraw/zinc/03/00/14/431030014.db2.gz WEVPAKHOOMXVHL-CQSZACIVSA-N 2 0 310.388 2.859 20 0 DFADRP CC[C@@H]([NH2+]C)C(=O)NCc1ccccc1C[N@@H+]1CCC[C@@H](C)C1 ZINC000662388547 431069417 /nfs/dbraw/zinc/06/94/17/431069417.db2.gz OHTPHZVUMXQGDM-CRAIPNDOSA-N 2 0 317.477 2.533 20 0 DFADRP CC[C@H](CC(F)F)C[NH+]1CCC([C@H]2C[C@@H]([NH3+])CCO2)CC1 ZINC000662280277 431031747 /nfs/dbraw/zinc/03/17/47/431031747.db2.gz CCGNZTFLMYKZOE-VHDGCEQUSA-N 2 0 304.425 2.886 20 0 DFADRP Fc1cccc(C2CC[NH+](C[C@@H]3CCC4(C[NH2+]C4)O3)CC2)c1F ZINC000662282330 431031907 /nfs/dbraw/zinc/03/19/07/431031907.db2.gz GCVHDUSZEOQYQR-AWEZNQCLSA-N 2 0 322.399 2.665 20 0 DFADRP c1ccc(C[C@@H]2CCC[C@H]2[NH2+]C[C@@H]2CCC3(C[NH2+]C3)O2)cc1 ZINC000662281707 431031988 /nfs/dbraw/zinc/03/19/88/431031988.db2.gz LCYPJYUNYBEYSZ-OKZBNKHCSA-N 2 0 300.446 2.508 20 0 DFADRP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCC[N@@H+]2Cc2ccncc2Cl)C1 ZINC000652363323 431033663 /nfs/dbraw/zinc/03/36/63/431033663.db2.gz AZKSSNLFJDKISO-BMFZPTHFSA-N 2 0 309.841 2.596 20 0 DFADRP COc1ccc(CC[NH+]2CCC([C@@H]3CCC[NH2+]C3)CC2)cc1 ZINC000662290163 431034500 /nfs/dbraw/zinc/03/45/00/431034500.db2.gz ADWZFYDONSOBPC-GOSISDBHSA-N 2 0 302.462 2.949 20 0 DFADRP Cc1ccc(NC(=O)C[NH+]2CCC([C@H]3CCC[NH2+]C3)CC2)cc1 ZINC000662289983 431034626 /nfs/dbraw/zinc/03/46/26/431034626.db2.gz CKBWCWPQUMXARC-KRWDZBQOSA-N 2 0 315.461 2.645 20 0 DFADRP C[C@H]1C[N@H+](C[C@H]2CCC3(C[NH2+]C3)O2)CCc2ccc(Cl)cc21 ZINC000662286600 431035214 /nfs/dbraw/zinc/03/52/14/431035214.db2.gz RLKIWLGKIOAYKN-XJKSGUPXSA-N 2 0 320.864 2.823 20 0 DFADRP C[C@@H](C(=O)Nc1ccccc1)[NH+]1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000662290393 431035797 /nfs/dbraw/zinc/03/57/97/431035797.db2.gz SPIHAQJOZPGLIL-DOTOQJQBSA-N 2 0 315.461 2.725 20 0 DFADRP Fc1ccccc1OCC[N@@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662293244 431036028 /nfs/dbraw/zinc/03/60/28/431036028.db2.gz DWZYAAIKJXSLJU-MRXNPFEDSA-N 2 0 306.425 2.916 20 0 DFADRP COc1ccc(OCC[NH+]2CCC([C@H]3CCC[NH2+]C3)CC2)cc1 ZINC000662290215 431036126 /nfs/dbraw/zinc/03/61/26/431036126.db2.gz NRIVXEQEHSUQNK-KRWDZBQOSA-N 2 0 318.461 2.786 20 0 DFADRP CC(C)N(C(=O)[C@H](C)[N@@H+]1CCC[C@H](C2CC[NH2+]CC2)C1)C(C)C ZINC000662296851 431037608 /nfs/dbraw/zinc/03/76/08/431037608.db2.gz NXPCUYPDSKYMPP-WMZOPIPTSA-N 2 0 323.525 2.732 20 0 DFADRP FC(F)(F)COCCC[N@@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662297775 431037677 /nfs/dbraw/zinc/03/76/77/431037677.db2.gz RQODBPAQCPGQTQ-AWEZNQCLSA-N 2 0 308.388 2.667 20 0 DFADRP [NH3+][C@@H](Cc1ccccc1)[C@@H](O)C[N@@H+]1CC[C@@H](C2CCCCC2)C1 ZINC000662305974 431040172 /nfs/dbraw/zinc/04/01/72/431040172.db2.gz MKSJXWXRMLXSMJ-AABGKKOBSA-N 2 0 316.489 2.820 20 0 DFADRP CC[N@@H+](Cc1ccc(C)cc1)C[C@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC000662304028 431040610 /nfs/dbraw/zinc/04/06/10/431040610.db2.gz DBOZNTOTHKWLEP-PMACEKPBSA-N 2 0 312.457 2.748 20 0 DFADRP CC1(C)CO[C@@H](c2cccc(F)c2)C[N@@H+]1CC[C@@H]1CC[NH2+]C1 ZINC000662310239 431042387 /nfs/dbraw/zinc/04/23/87/431042387.db2.gz IMWHYWHOXSWXFL-WMLDXEAASA-N 2 0 306.425 2.977 20 0 DFADRP Nc1ncccc1C[NH+]1CCC(C[NH+]2CCCCCC2)CC1 ZINC000649245848 431042971 /nfs/dbraw/zinc/04/29/71/431042971.db2.gz LELWJLVBUMJJPE-UHFFFAOYSA-N 2 0 302.466 2.752 20 0 DFADRP C[C@@H](C1CC1)N(C(=O)C[N@@H+]1CCC[C@@H](C)[C@H]1CCC[NH3+])C1CC1 ZINC000662316418 431045049 /nfs/dbraw/zinc/04/50/49/431045049.db2.gz WLUKZHSVPQCNBK-RVKKMQEKSA-N 2 0 321.509 2.615 20 0 DFADRP C[NH+](C)CCC[C@@H]1C[N@H+](CCCOCc2ccccc2)CCO1 ZINC000662321380 431046516 /nfs/dbraw/zinc/04/65/16/431046516.db2.gz BZFOMBHCERMVAL-LJQANCHMSA-N 2 0 320.477 2.636 20 0 DFADRP C[NH+](C)CCC[C@@H]1C[N@H+](C[C@H]2CCCCC2(F)F)CCO1 ZINC000662325751 431046737 /nfs/dbraw/zinc/04/67/37/431046737.db2.gz JKIXERGVCCFAEB-HUUCEWRRSA-N 2 0 304.425 2.855 20 0 DFADRP CO[C@H](C[N@@H+]1CCO[C@@H](CCC[NH+](C)C)C1)C1CCCCC1 ZINC000662325913 431047268 /nfs/dbraw/zinc/04/72/68/431047268.db2.gz LDWVDNIOHLUOSP-ZWKOTPCHSA-N 2 0 312.498 2.624 20 0 DFADRP COCC[C@@H](c1ccccc1)[N@@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000662326421 431049607 /nfs/dbraw/zinc/04/96/07/431049607.db2.gz ZGIWECFOZXPWGY-MOPGFXCFSA-N 2 0 320.477 2.807 20 0 DFADRP CN(C)c1nc(N2CCC[C@H](n3ccnc3)C2)nc2ccccc21 ZINC000649267898 431050890 /nfs/dbraw/zinc/05/08/90/431050890.db2.gz HWQBFAOQFYUQTG-AWEZNQCLSA-N 2 0 322.416 2.734 20 0 DFADRP CC(C)[N@H+](C)Cc1cccc(CNC(=O)[C@H]2CCC[C@H]2C[NH3+])c1 ZINC000649306649 431062495 /nfs/dbraw/zinc/06/24/95/431062495.db2.gz FORJAQQDUYEFIF-ROUUACIJSA-N 2 0 317.477 2.518 20 0 DFADRP CC(C)[N@H+](C)Cc1cccc(CNC(=O)C2CCC([NH3+])CC2)c1 ZINC000649306842 431063024 /nfs/dbraw/zinc/06/30/24/431063024.db2.gz SREUTBKIQDLDDU-UHFFFAOYSA-N 2 0 317.477 2.661 20 0 DFADRP CCc1ccc2[nH+]ccc(N3CC[NH+]([C@H]4CCOC4)CC3)c2c1 ZINC000649304534 431063141 /nfs/dbraw/zinc/06/31/41/431063141.db2.gz ICKXOQHPOYTOFC-INIZCTEOSA-N 2 0 311.429 2.708 20 0 DFADRP CCCC[NH+]1CCC(NC(=O)[C@H]([NH3+])c2cccc(Cl)c2)CC1 ZINC000649311687 431063155 /nfs/dbraw/zinc/06/31/55/431063155.db2.gz FTWWWKAIZWTUCQ-MRXNPFEDSA-N 2 0 323.868 2.721 20 0 DFADRP C[C@H](NC(=O)CC[C@H]([NH3+])CC1CCCCC1)C1CC[NH+](C)CC1 ZINC000649314662 431064925 /nfs/dbraw/zinc/06/49/25/431064925.db2.gz INDYZCXOJJODHU-YJBOKZPZSA-N 2 0 323.525 2.911 20 0 DFADRP C[C@@H]([NH2+]C(C)(C)CNC(=O)CCC(C)(C)[NH3+])c1ccccc1 ZINC000649322175 431067433 /nfs/dbraw/zinc/06/74/33/431067433.db2.gz CUMFWBLAXPZKJE-CQSZACIVSA-N 2 0 305.466 2.750 20 0 DFADRP CC[C@H]([NH2+]C)C(=O)NCc1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000662386463 431068540 /nfs/dbraw/zinc/06/85/40/431068540.db2.gz AJMSONACXSZWDM-YJBOKZPZSA-N 2 0 317.477 2.533 20 0 DFADRP C[N@@H+](Cc1ccccc1C(F)(F)F)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662248637 431012504 /nfs/dbraw/zinc/01/25/04/431012504.db2.gz IKBMUQYIDQLKSL-CYBMUJFWSA-N 2 0 314.351 2.658 20 0 DFADRP CC[NH+](CC)Cc1cccc(NC(=O)[C@H]2C[C@@]23CCC[NH2+]C3)c1 ZINC000655444645 431013037 /nfs/dbraw/zinc/01/30/37/431013037.db2.gz LTSVFRKICXAZMC-IEBWSBKVSA-N 2 0 315.461 2.857 20 0 DFADRP CC(C)[NH2+]CC(=O)Nc1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000659284427 431013193 /nfs/dbraw/zinc/01/31/93/431013193.db2.gz DNUIWDYMHIOWGO-HNNXBMFYSA-N 2 0 303.450 2.855 20 0 DFADRP [NH3+]CCCOC1CC[NH+](CC[C@@H]2CCc3ccccc32)CC1 ZINC000662247862 431013847 /nfs/dbraw/zinc/01/38/47/431013847.db2.gz NIKWAWJFFARCOM-KRWDZBQOSA-N 2 0 302.462 2.936 20 0 DFADRP C[NH+](C)CC[C@@H](NC(=O)C[C@H]1[NH2+]Cc2ccccc21)C(C)(C)C ZINC000659293673 431014627 /nfs/dbraw/zinc/01/46/27/431014627.db2.gz XKZIOXDBLYSFGM-IAGOWNOFSA-N 2 0 317.477 2.704 20 0 DFADRP C(OC1CC[NH+](C[C@@H]2CCC3(C[NH2+]C3)O2)CC1)C1CCCCC1 ZINC000662254395 431015426 /nfs/dbraw/zinc/01/54/26/431015426.db2.gz PXPLGYSIPMHZCW-SFHVURJKSA-N 2 0 322.493 2.569 20 0 DFADRP C[C@H](C1CC1)[N@@H+](Cc1ccccc1)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662249924 431015915 /nfs/dbraw/zinc/01/59/15/431015915.db2.gz VLICTKVZKJHBQI-CRAIPNDOSA-N 2 0 300.446 2.808 20 0 DFADRP CC[N@H+](C[C@@H]1CCC2(C[NH2+]C2)O1)[C@@H](C)c1cccc(OC)c1 ZINC000662252142 431015935 /nfs/dbraw/zinc/01/59/35/431015935.db2.gz KJEXOBLPSDWTMM-YOEHRIQHSA-N 2 0 304.434 2.599 20 0 DFADRP C[C@H](O)C[N@H+](Cc1cccc2c1CC[NH2+]C2)C1CCCCC1 ZINC000662256097 431016093 /nfs/dbraw/zinc/01/60/93/431016093.db2.gz GCNFHZLRFCARCU-HNNXBMFYSA-N 2 0 302.462 2.848 20 0 DFADRP C[C@H](Cc1ccc(Cl)cc1)[N@H+](C)C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662254049 431017378 /nfs/dbraw/zinc/01/73/78/431017378.db2.gz DPOPYCDNDXFQBY-CJNGLKHVSA-N 2 0 308.853 2.724 20 0 DFADRP C[C@@H]([NH2+]CCC1(CO)CCC1)c1ccc(OCC[NH+](C)C)cc1 ZINC000652310386 431018266 /nfs/dbraw/zinc/01/82/66/431018266.db2.gz FJFVAFKOYXCQOQ-MRXNPFEDSA-N 2 0 320.477 2.830 20 0 DFADRP C[C@@H]1C[C@@H]([NH2+]CC2CCN(c3cc[nH+]cc3)CC2)c2nccn21 ZINC000296670291 278918046 /nfs/dbraw/zinc/91/80/46/278918046.db2.gz FVKVQRBMPCWJLP-RHSMWYFYSA-N 2 0 311.433 2.790 20 0 DFADRP C[C@H]1CC[C@@H](Nc2c[nH+]ccc2N2CC[NH+](C)CC2)CS1 ZINC000655749646 431114298 /nfs/dbraw/zinc/11/42/98/431114298.db2.gz VZDSJDVZWGKKTH-UONOGXRCSA-N 2 0 306.479 2.529 20 0 DFADRP [NH3+][C@@H](CC1CCCCC1)C(=O)N1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000662587490 431124274 /nfs/dbraw/zinc/12/42/74/431124274.db2.gz GBPFTOLQDRYYRU-MSOLQXFVSA-N 2 0 321.509 2.522 20 0 DFADRP CC[NH+](CC)C[C@@H]1CCN(C(=O)[C@@H]([NH3+])c2cccc(Cl)c2)C1 ZINC000649342732 431070710 /nfs/dbraw/zinc/07/07/10/431070710.db2.gz LWCFMGCOCHMERQ-BBRMVZONSA-N 2 0 323.868 2.530 20 0 DFADRP CC(C)C[C@H](C[NH3+])CC(=O)NC[C@H](c1ccc(F)cc1)[NH+](C)C ZINC000662397164 431071233 /nfs/dbraw/zinc/07/12/33/431071233.db2.gz XTSAKPZGSZVYPV-WMLDXEAASA-N 2 0 323.456 2.556 20 0 DFADRP Cc1cccc(NC[C@@H]2CC[N@H+](CCC[C@@H]3CCOC3)C2)n1 ZINC000645807029 431077042 /nfs/dbraw/zinc/07/70/42/431077042.db2.gz TXKSAWLGJRBTCB-SJORKVTESA-N 2 0 303.450 2.941 20 0 DFADRP Cc1cccc(NC[C@@H]2CC[N@H+](CCC[C@H]3CCOC3)C2)n1 ZINC000645807028 431077634 /nfs/dbraw/zinc/07/76/34/431077634.db2.gz TXKSAWLGJRBTCB-IRXDYDNUSA-N 2 0 303.450 2.941 20 0 DFADRP CCCCC[N@H+](CCNC(=O)C(C)(C)[NH3+])Cc1ccccc1 ZINC000652560308 431086352 /nfs/dbraw/zinc/08/63/52/431086352.db2.gz HCPXCIJRTSCNSO-UHFFFAOYSA-N 2 0 305.466 2.532 20 0 DFADRP CC[C@H]([NH2+]C)C(=O)NCc1ccccc1C[NH+]1CCCCCC1 ZINC000662459855 431087061 /nfs/dbraw/zinc/08/70/61/431087061.db2.gz DFDYJTIQTFFQAQ-SFHVURJKSA-N 2 0 317.477 2.677 20 0 DFADRP CCN1C[C@H](C[N@H+](C)CCC2CC[NH2+]CC2)Oc2ccccc21 ZINC000649411341 431093569 /nfs/dbraw/zinc/09/35/69/431093569.db2.gz KHGPHMZDWRCQIG-KRWDZBQOSA-N 2 0 317.477 2.595 20 0 DFADRP c1csc(CN2CC[NH+](CCCC3CC[NH2+]CC3)CC2)c1 ZINC000649411045 431093772 /nfs/dbraw/zinc/09/37/72/431093772.db2.gz IRPFGOCZKQHUHM-UHFFFAOYSA-N 2 0 307.507 2.646 20 0 DFADRP CCn1cc(C2CC[NH+](CCCC3CC[NH2+]CC3)CC2)cn1 ZINC000649412047 431093785 /nfs/dbraw/zinc/09/37/85/431093785.db2.gz FWFCXUOYNFOVQQ-UHFFFAOYSA-N 2 0 304.482 2.862 20 0 DFADRP CCc1nccn1[C@H]1CCC[N@H+](CCCC2CC[NH2+]CC2)C1 ZINC000649413433 431094385 /nfs/dbraw/zinc/09/43/85/431094385.db2.gz ZPILZAXOPDJGMA-KRWDZBQOSA-N 2 0 304.482 2.862 20 0 DFADRP Cc1cc2c(c(C)c1)[C@H]([NH2+]CCN1CCC([NH+](C)C)CC1)CC2 ZINC000655718505 431096199 /nfs/dbraw/zinc/09/61/99/431096199.db2.gz KXQBZCGDODUSSO-LJQANCHMSA-N 2 0 315.505 2.906 20 0 DFADRP Cc1ccc2nc(C[N@@H+]3CCC[C@H]([C@@H]4CCC[NH2+]C4)C3)cn2c1 ZINC000649417799 431096804 /nfs/dbraw/zinc/09/68/04/431096804.db2.gz HFRDUCQBQDCMLA-SJORKVTESA-N 2 0 312.461 2.854 20 0 DFADRP Cc1cc2c(c(C)c1)[C@H]([NH2+]CCCN1CCC[N@@H+](C)CC1)CC2 ZINC000655715903 431096854 /nfs/dbraw/zinc/09/68/54/431096854.db2.gz JPOHFJJCDNGJRO-LJQANCHMSA-N 2 0 315.505 2.908 20 0 DFADRP CC(C)N1CCCC[C@H]1C[N@H+](C)C[C@@H]1CCc2nccn2C1 ZINC000649460670 431107675 /nfs/dbraw/zinc/10/76/75/431107675.db2.gz KBLODHVTGIUNID-IRXDYDNUSA-N 2 0 304.482 2.640 20 0 DFADRP [NH3+][C@H](CCC(=O)N[C@H]1CC[N@H+](CC2CC2)C1)CC1CCCCC1 ZINC000645953390 431129470 /nfs/dbraw/zinc/12/94/70/431129470.db2.gz RSPFGIRLGAPXNQ-MSOLQXFVSA-N 2 0 321.509 2.665 20 0 DFADRP CC[NH+](CC)Cc1cccc(C[NH2+][C@@H](C)C(=O)N(C)C(C)C)c1 ZINC000177430444 279137778 /nfs/dbraw/zinc/13/77/78/279137778.db2.gz OJDZFVWJNIQJSD-INIZCTEOSA-N 2 0 319.493 2.873 20 0 DFADRP CC[NH+](CC)Cc1ccccc1CNC(=O)[C@@]1(C)CCC[NH2+]C1 ZINC000236908546 279138685 /nfs/dbraw/zinc/13/86/85/279138685.db2.gz PUOKZPLXYQWTCL-IBGZPJMESA-N 2 0 317.477 2.534 20 0 DFADRP C[C@@]1(C[N@@H+]2CCC[C@@H](c3nc(C(F)(F)F)c[nH]3)C2)CC[NH2+]C1 ZINC000262064536 279159030 /nfs/dbraw/zinc/15/90/30/279159030.db2.gz RMCNLROOCBRXPG-BXUZGUMPSA-N 2 0 316.371 2.608 20 0 DFADRP CC(C)C[C@H]([NH3+])C(=O)N1CCc2c1cccc2C[NH+]1CCCC1 ZINC000366332720 279176706 /nfs/dbraw/zinc/17/67/06/279176706.db2.gz KGNMDPGNBKAXFO-KRWDZBQOSA-N 2 0 315.461 2.545 20 0 DFADRP CCN(CC[NH+]1CCCCCC1)C(=O)CC[C@H]1CCCC[N@@H+]1C ZINC000360185027 279186824 /nfs/dbraw/zinc/18/68/24/279186824.db2.gz PAQHTUMSNWBIRE-GOSISDBHSA-N 2 0 323.525 2.975 20 0 DFADRP C[C@H](C(=O)N1CCCCCC1)[N@@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000374074866 279190688 /nfs/dbraw/zinc/19/06/88/279190688.db2.gz NYXIXQSPWHKVJX-QGZVFWFLSA-N 2 0 321.509 2.585 20 0 DFADRP CC(C)C[C@H]([NH2+]C[C@@H](C)CN1CC[NH+](C)CC1)c1ccccn1 ZINC000120812556 279193091 /nfs/dbraw/zinc/19/30/91/279193091.db2.gz DIGUTVQWBQQLOA-MJGOQNOKSA-N 2 0 318.509 2.642 20 0 DFADRP C[C@@H](NC(=O)[C@@H](C)[N@H+](C)Cc1ccccc1)C(C)(C)C[NH+](C)C ZINC000359282683 279231587 /nfs/dbraw/zinc/23/15/87/279231587.db2.gz SVMWEHKUXGBFBS-HZPDHXFCSA-N 2 0 319.493 2.599 20 0 DFADRP CC(C)Cc1ccc([C@H](C)[NH2+]CC2(O)CC[NH+](C)CC2)cc1 ZINC000268973516 279243915 /nfs/dbraw/zinc/24/39/15/279243915.db2.gz IMJYWNCQIKWJCT-INIZCTEOSA-N 2 0 304.478 2.992 20 0 DFADRP CC(C)(C)[N@@H+]1CC[C@@H](NC(=O)C(C)(C)[C@H]([NH3+])c2ccccc2)C1 ZINC000662622167 431137985 /nfs/dbraw/zinc/13/79/85/431137985.db2.gz PULMNXGDRJAWLY-HZPDHXFCSA-N 2 0 317.477 2.702 20 0 DFADRP C[C@H](CC[S@@](C)=O)[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000358407280 279270993 /nfs/dbraw/zinc/27/09/93/279270993.db2.gz TZNOBQUUQCPCCT-JLTOFOAXSA-N 2 0 300.512 2.530 20 0 DFADRP CC[NH+](CC)CCCNC(=O)C1CC[NH+]([C@H](C)C(C)C)CC1 ZINC000659843596 431139316 /nfs/dbraw/zinc/13/93/16/431139316.db2.gz DBDWURSHULZVBR-MRXNPFEDSA-N 2 0 311.514 2.591 20 0 DFADRP CO[C@@H](C[NH+]1CCC(C[NH+]2CCOCC2)CC1)C1CCCCC1 ZINC000659844537 431139512 /nfs/dbraw/zinc/13/95/12/431139512.db2.gz JGEKKKWHUQYOKM-IBGZPJMESA-N 2 0 324.509 2.626 20 0 DFADRP CCCC[N@H+](C)CC1CCN([C@H](C)c2nnc(CC)[nH]2)CC1 ZINC000659848011 431142192 /nfs/dbraw/zinc/14/21/92/431142192.db2.gz VGGLPSBDYBVEFV-CQSZACIVSA-N 2 0 307.486 2.872 20 0 DFADRP CCCC[N@H+](C)CC1CC[NH+](CC2(O)CCSCC2)CC1 ZINC000659846659 431142322 /nfs/dbraw/zinc/14/23/22/431142322.db2.gz IDYOHIPBXMYRMM-UHFFFAOYSA-N 2 0 314.539 2.688 20 0 DFADRP C[C@H](C[NH2+][C@H]1CC(C)(C)Cc2occc21)N1CC[NH+](C)CC1 ZINC000127468821 279351658 /nfs/dbraw/zinc/35/16/58/279351658.db2.gz OLFXFCBMOMTBEV-ZBFHGGJFSA-N 2 0 305.466 2.519 20 0 DFADRP [NH3+]C1(CC(=O)NCc2cccc(C[NH+]3CCCCCC3)c2)CC1 ZINC000662699257 431167647 /nfs/dbraw/zinc/16/76/47/431167647.db2.gz YSKOGGRGBXBRQR-UHFFFAOYSA-N 2 0 315.461 2.560 20 0 DFADRP CN1CCC[C@H]1C[N@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000649572693 431169202 /nfs/dbraw/zinc/16/92/02/431169202.db2.gz FXINQQYMJCQUAR-IBGZPJMESA-N 2 0 316.493 2.714 20 0 DFADRP C[NH+]1CCC2(CC1)C[N@H+](CCSc1ccccc1)CCO2 ZINC000646104533 431189582 /nfs/dbraw/zinc/18/95/82/431189582.db2.gz PUYBZJCTSVQDPB-UHFFFAOYSA-N 2 0 306.475 2.575 20 0 DFADRP C[N@@H+]1CCC[C@@H]1CN1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000649610034 431195419 /nfs/dbraw/zinc/19/54/19/431195419.db2.gz GECLODSEQYPMSA-WOJBJXKFSA-N 2 0 313.489 2.679 20 0 DFADRP CC[NH+](CC)CCN(CCC(F)(F)F)C[C@H]1CCC[N@@H+]1C ZINC000649549667 431154011 /nfs/dbraw/zinc/15/40/11/431154011.db2.gz NTNVHGZBKNVFKR-CQSZACIVSA-N 2 0 309.420 2.677 20 0 DFADRP C[NH2+][C@H](CC(C)(C)C)C(=O)N[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000662667417 431156616 /nfs/dbraw/zinc/15/66/16/431156616.db2.gz AAJXHNIHYQBZJG-GOEBONIOSA-N 2 0 309.498 2.534 20 0 DFADRP [NH3+][C@@H]1CCCCCC[C@@H]1C(=O)N[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000662667450 431157748 /nfs/dbraw/zinc/15/77/48/431157748.db2.gz AVKBSQAZZXSEJL-RYQLBKOJSA-N 2 0 321.509 2.807 20 0 DFADRP Cc1ccc(NC(=O)C[C@H](C)[NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)c(C)c1 ZINC000655806909 431157803 /nfs/dbraw/zinc/15/78/03/431157803.db2.gz DKTFBZODEHPZAM-YESZJQIVSA-N 2 0 317.477 2.950 20 0 DFADRP CCc1noc(C2CCC([NH2+]C[C@H]3C[C@@H]([NH+](C)C)C3)CC2)n1 ZINC000655805997 431159028 /nfs/dbraw/zinc/15/90/28/431159028.db2.gz WDIPGRJFMYJZSH-LPDVGHNRSA-N 2 0 306.454 2.588 20 0 DFADRP CC1CC[NH+](Cc2ccc(NC(=O)CC3([NH3+])CC3)cc2)CC1 ZINC000662676599 431159711 /nfs/dbraw/zinc/15/97/11/431159711.db2.gz YVGRTFLQMJCULM-UHFFFAOYSA-N 2 0 301.434 2.738 20 0 DFADRP CC(C)(C)[N@@H+]1CC[C@@H](CNC(=O)[C@H]([NH3+])c2cccc(Cl)c2)C1 ZINC000662845761 431215242 /nfs/dbraw/zinc/21/52/42/431215242.db2.gz KOYPONXPBDCFAU-SWLSCSKDSA-N 2 0 323.868 2.576 20 0 DFADRP CC[C@H]1C[N@@H+]2CCCC[C@H]2CN1C(=O)CC1(C[NH3+])CCCCC1 ZINC000646193829 431223372 /nfs/dbraw/zinc/22/33/72/431223372.db2.gz BAWBGPHSAAZCLB-IRXDYDNUSA-N 2 0 321.509 2.761 20 0 DFADRP [NH3+]CC1(CC(=O)NC[C@@H]2CCC[N@H+](CC3CC3)C2)CCCCC1 ZINC000663005665 431255079 /nfs/dbraw/zinc/25/50/79/431255079.db2.gz XIAHGUWPVOOOMA-KRWDZBQOSA-N 2 0 321.509 2.524 20 0 DFADRP [NH3+]C1(CC(=O)Nc2cccc(CC[NH+]3CCCC3)c2)CCC1 ZINC000646288388 431255198 /nfs/dbraw/zinc/25/51/98/431255198.db2.gz NNILQBALTWGOEV-UHFFFAOYSA-N 2 0 301.434 2.535 20 0 DFADRP C[C@@H]1C[C@H](C)C[N@@H+](CCN2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)C1 ZINC000660114688 431278956 /nfs/dbraw/zinc/27/89/56/431278956.db2.gz JURFNLGHVZQFOV-DMUMMCEESA-N 2 0 319.537 2.913 20 0 DFADRP [NH3+][C@H](CC1CCCCC1)C(=O)N1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000646375403 431286325 /nfs/dbraw/zinc/28/63/25/431286325.db2.gz FGTAEYHHNOUCRP-RCCFBDPRSA-N 2 0 321.509 2.522 20 0 DFADRP CC[N@H+](CCC1CC[NH+](Cc2cn(C)cn2)CC1)CC1CC1 ZINC000660168452 431299743 /nfs/dbraw/zinc/29/97/43/431299743.db2.gz RRABIVYNSDXZQF-UHFFFAOYSA-N 2 0 304.482 2.754 20 0 DFADRP [NH3+][C@@H]1CCC[C@@H]([NH2+]C[C@H]2CCCN(Cc3cccs3)C2)C1 ZINC000656197090 431304658 /nfs/dbraw/zinc/30/46/58/431304658.db2.gz BURGSFNYCUIYBF-BZUAXINKSA-N 2 0 307.507 2.820 20 0 DFADRP CC[N@H+](CCCNC(=O)C[C@@H]1CCC[NH2+]CC1)C1CCCCC1 ZINC000653200551 431306025 /nfs/dbraw/zinc/30/60/25/431306025.db2.gz IJBDKTZOOVGNHE-QGZVFWFLSA-N 2 0 323.525 2.927 20 0 DFADRP C([NH2+]C1(C2CCC2)CC1)C1(C[NH2+]C2(C3CCC3)CC2)COC1 ZINC000649810516 431306081 /nfs/dbraw/zinc/30/60/81/431306081.db2.gz OPYKDNGIDNWKNU-UHFFFAOYSA-N 2 0 304.478 2.848 20 0 DFADRP CC[C@H]1[NH2+]CC[C@@H]1C(=O)NCCC[N@H+](CC)C1CCCCC1 ZINC000653200621 431306369 /nfs/dbraw/zinc/30/63/69/431306369.db2.gz KSGPYSGMTRWLEO-DLBZAZTESA-N 2 0 309.498 2.535 20 0 DFADRP CC[N@H+](CCCNC(=O)C[C@H]1CCC[NH2+]CC1)C1CCCCC1 ZINC000653200550 431306508 /nfs/dbraw/zinc/30/65/08/431306508.db2.gz IJBDKTZOOVGNHE-KRWDZBQOSA-N 2 0 323.525 2.927 20 0 DFADRP CC(C)[N@H+](C)Cc1ccccc1CNC(=O)[C@@H]1CCC[NH2+]CC1 ZINC000653108895 431269885 /nfs/dbraw/zinc/26/98/85/431269885.db2.gz LXIOBARGGCPIRD-MRXNPFEDSA-N 2 0 317.477 2.533 20 0 DFADRP COC[C@H]1CCC[NH+]1CCC(C)CC[N@H+]1CCC[C@@H]1COC ZINC000663065381 431275078 /nfs/dbraw/zinc/27/50/78/431275078.db2.gz CYOJOEFXAYZXQN-QZTJIDSGSA-N 2 0 312.498 2.624 20 0 DFADRP C[NH+](C)CCN(C(=O)CC[C@@H]([NH3+])CC1CCCCC1)C1CC1 ZINC000646542796 431337540 /nfs/dbraw/zinc/33/75/40/431337540.db2.gz WNEHGFBWHQTHSM-MRXNPFEDSA-N 2 0 309.498 2.617 20 0 DFADRP [NH3+]C1(Cc2nc(-c3cccc(C[NH+]4CCCCC4)c3)no2)CC1 ZINC000663251502 431342137 /nfs/dbraw/zinc/34/21/37/431342137.db2.gz RFRGKWIWULOMCA-UHFFFAOYSA-N 2 0 312.417 2.756 20 0 DFADRP C[C@@H](NCC[C@H]1CCCC[N@@H+]1C)c1nnc2n1CCCCC2 ZINC000660260428 431348081 /nfs/dbraw/zinc/34/80/81/431348081.db2.gz WRAICMGCIHCVAF-HUUCEWRRSA-N 2 0 305.470 2.530 20 0 DFADRP Cc1ccc(NC(=O)C[C@H](C)NC[C@@H]2CCCC[NH2+]2)c(C)c1 ZINC000666770202 431350084 /nfs/dbraw/zinc/35/00/84/431350084.db2.gz OWRVSNSUXHLHDL-HOTGVXAUSA-N 2 0 303.450 2.752 20 0 DFADRP CC(C)(O)C[NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CC12CCC2 ZINC000663306969 431356365 /nfs/dbraw/zinc/35/63/65/431356365.db2.gz QAOIOAKMZWUCFQ-KRWDZBQOSA-N 2 0 302.462 2.649 20 0 DFADRP c1c2ccccc2[nH]c1C[N@@H+]1CCC[C@H](N2CCOCC2)CC1 ZINC000656281434 431357842 /nfs/dbraw/zinc/35/78/42/431357842.db2.gz XVVFWRVIEYUOIK-SFHVURJKSA-N 2 0 313.445 2.855 20 0 DFADRP COc1ccc(-c2nc(C[NH2+]CC[C@H]3CC[NH2+]C3)cs2)cc1 ZINC000666787376 431359134 /nfs/dbraw/zinc/35/91/34/431359134.db2.gz PADQYFFFQORLFJ-CYBMUJFWSA-N 2 0 317.458 2.908 20 0 DFADRP Clc1ccc(Cl)c(C[NH2+]CCN2CC[NH2+]CC2)c1Cl ZINC000666814957 431367193 /nfs/dbraw/zinc/36/71/93/431367193.db2.gz WTGAWMBFWFLRCF-UHFFFAOYSA-N 2 0 322.667 2.642 20 0 DFADRP C[C@@H](CCC[NH3+])[NH2+]Cc1cnn(Cc2ccccc2Cl)c1 ZINC000666941203 431417095 /nfs/dbraw/zinc/41/70/95/431417095.db2.gz GAYVCTXWMKFAPK-ZDUSSCGKSA-N 2 0 306.841 2.802 20 0 DFADRP c1ccc(COc2cccc(C[NH2+][C@H]3CC34CC[NH2+]CC4)c2)nc1 ZINC000666950867 431419292 /nfs/dbraw/zinc/41/92/92/431419292.db2.gz OBOIOCRKIZSIMI-IBGZPJMESA-N 2 0 323.440 2.892 20 0 DFADRP Brc1cc(C[NH2+][C@@H]2CC23CC[NH2+]CC3)cs1 ZINC000666950780 431419821 /nfs/dbraw/zinc/41/98/21/431419821.db2.gz GUFAKLHQYOJLPN-SNVBAGLBSA-N 2 0 301.253 2.742 20 0 DFADRP Fc1cc(C[NH2+][C@H]2CC23CC[NH2+]CC3)ccc1Br ZINC000666951971 431420199 /nfs/dbraw/zinc/42/01/99/431420199.db2.gz AIHWWORVQNAQJC-ZDUSSCGKSA-N 2 0 313.214 2.820 20 0 DFADRP CC[C@H](Cc1ccc(OC)c(OC)c1)[NH2+][C@H]1CC12CC[NH2+]CC2 ZINC000666953794 431422361 /nfs/dbraw/zinc/42/23/61/431422361.db2.gz HYECNTFBPNMLGF-QAPCUYQASA-N 2 0 318.461 2.757 20 0 DFADRP Cn1cc(C[NH2+][C@H]2CC23CC[NH2+]CC3)c(C2CCCCC2)n1 ZINC000666954020 431422674 /nfs/dbraw/zinc/42/26/74/431422674.db2.gz OCSQWMNGLZHONU-INIZCTEOSA-N 2 0 302.466 2.700 20 0 DFADRP Fc1cccc(Br)c1C[NH2+][C@H]1CC12CC[NH2+]CC2 ZINC000666953734 431423104 /nfs/dbraw/zinc/42/31/04/431423104.db2.gz GLJCHAUSHMYINJ-ZDUSSCGKSA-N 2 0 313.214 2.820 20 0 DFADRP COc1ccc(C[C@@H](C)C[NH2+][C@H]2CC23CC[NH2+]CC3)cc1F ZINC000666953724 431423232 /nfs/dbraw/zinc/42/32/32/431423232.db2.gz GHBXARPDCOTDJK-DYVFJYSZSA-N 2 0 306.425 2.745 20 0 DFADRP c1ccc(N2CC[C@H]([NH2+]C[C@H]3CCC[N@H+](CC4CC4)C3)C2)cc1 ZINC000663347146 431377301 /nfs/dbraw/zinc/37/73/01/431377301.db2.gz ZWHHUWFBZKZTHO-MOPGFXCFSA-N 2 0 313.489 2.977 20 0 DFADRP C[C@@H]([NH2+]CCC(=O)N(C)c1ccccc1)C(C)(C)C[NH+](C)C ZINC000663360033 431384593 /nfs/dbraw/zinc/38/45/93/431384593.db2.gz SIBWTFRFFWMAKK-OAHLLOKOSA-N 2 0 305.466 2.605 20 0 DFADRP CC(C)C[N@@H+]1CC[C@H](C[NH2+]CCC(=O)N(C)c2ccccc2)C1 ZINC000663360494 431385700 /nfs/dbraw/zinc/38/57/00/431385700.db2.gz POKZEDVTKLARIC-QGZVFWFLSA-N 2 0 317.477 2.607 20 0 DFADRP CC(C)C[N@H+](C)CCCNC(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000649971049 431388869 /nfs/dbraw/zinc/38/88/69/431388869.db2.gz JIXYQKXYAMVZJA-UHFFFAOYSA-N 2 0 320.481 2.848 20 0 DFADRP CCCN1CCC[C@H]1C[NH2+]CCC(=O)N(C)c1ccccc1 ZINC000663374398 431392742 /nfs/dbraw/zinc/39/27/42/431392742.db2.gz JVAUANWXHILDNX-KRWDZBQOSA-N 2 0 303.450 2.504 20 0 DFADRP CCC[C@H]([NH3+])c1cn(C[C@H]2CC[N@H+](Cc3ccccc3)C2)nn1 ZINC000656469012 431398503 /nfs/dbraw/zinc/39/85/03/431398503.db2.gz YMMOTPFXSLXTMK-IRXDYDNUSA-N 2 0 313.449 2.600 20 0 DFADRP C[NH2+]CCCC(=O)N1CCC([NH2+][C@@H]2C[C@H](C)CC(C)(C)C2)CC1 ZINC000663505823 431448940 /nfs/dbraw/zinc/44/89/40/431448940.db2.gz MYIZHPNUDRUBED-DOTOQJQBSA-N 2 0 323.525 2.781 20 0 DFADRP C[C@@H]([NH2+]Cc1cccc(NC(=O)C2CCC2)c1)[C@H]1CCC[NH2+]C1 ZINC000667027789 431449135 /nfs/dbraw/zinc/44/91/35/431449135.db2.gz JMQJVGNGURGHMP-PBHICJAKSA-N 2 0 315.461 2.903 20 0 DFADRP CCc1ccccc1CC[N@@H+]1CCC[C@H](N2CCOCC2)CC1 ZINC000660476709 431449167 /nfs/dbraw/zinc/44/91/67/431449167.db2.gz FDUHLTOLLCFQAF-FQEVSTJZSA-N 2 0 316.489 2.978 20 0 DFADRP COc1cccc([C@@H](C)[N@@H+]2CCC[C@H](N3CCOCC3)CC2)c1 ZINC000660475945 431449805 /nfs/dbraw/zinc/44/98/05/431449805.db2.gz ZZLJUSIVBHIMDV-AEFFLSMTSA-N 2 0 318.461 2.943 20 0 DFADRP C[C@H]1C[N@H+](CCC(C)(C)C2CC2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000653594328 431451453 /nfs/dbraw/zinc/45/14/53/431451453.db2.gz MRARASAGNZFSGK-FUHWJXTLSA-N 2 0 307.526 2.771 20 0 DFADRP CC[N@H+](C)C[C@@H](O)CN[C@@H](CC(C)C)c1ccccc1OC ZINC000653606903 431456241 /nfs/dbraw/zinc/45/62/41/431456241.db2.gz KIDXYVKDVMSXID-RDJZCZTQSA-N 2 0 308.466 2.685 20 0 DFADRP c1cc2c(cc[nH+]c2N2CCCN(Cc3cscn3)CC2)[nH]1 ZINC000663531078 431459060 /nfs/dbraw/zinc/45/90/60/431459060.db2.gz ULEZPCGXTXJAJT-UHFFFAOYSA-N 2 0 313.430 2.732 20 0 DFADRP CC[N@H+](C)C[C@H](O)CN1CCc2ccc(C(C)(C)C)cc2C1 ZINC000653611030 431459893 /nfs/dbraw/zinc/45/98/93/431459893.db2.gz FEQWSVKLVHTORD-SFHVURJKSA-N 2 0 304.478 2.655 20 0 DFADRP Clc1cscc1C[N@@H+]1CC2(CC[NH2+]CC2)[C@@H]2COC[C@@H]21 ZINC000667058313 431462268 /nfs/dbraw/zinc/46/22/68/431462268.db2.gz JAUBGYBVNXZIGZ-OCCSQVGLSA-N 2 0 312.866 2.602 20 0 DFADRP Cn1ncc2c1CCC[C@@H]2[NH2+]C[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000663467215 431430392 /nfs/dbraw/zinc/43/03/92/431430392.db2.gz DSCPWQXKTWZUNF-WBVHZDCISA-N 2 0 302.466 2.509 20 0 DFADRP Oc1ccc2c(c1)CC[C@@H]([NH2+]C1CCN(c3cc[nH+]cc3)CC1)C2 ZINC000656575233 431435808 /nfs/dbraw/zinc/43/58/08/431435808.db2.gz GCWFGVWKLKLRAU-GOSISDBHSA-N 2 0 323.440 2.903 20 0 DFADRP Cn1cc(C[NH2+][C@H]2CC[NH2+]C3(CCC3)C2)c(-c2ccccc2)n1 ZINC000666996988 431437105 /nfs/dbraw/zinc/43/71/05/431437105.db2.gz QBDGLONSKNQUQZ-KRWDZBQOSA-N 2 0 310.445 2.851 20 0 DFADRP Clc1ccccc1N1CC[C@H](C[NH2+]C[C@@H]2CCC[NH2+]C2)C1 ZINC000656787881 431521800 /nfs/dbraw/zinc/52/18/00/431521800.db2.gz YCMBFABKTCGLOG-HUUCEWRRSA-N 2 0 307.869 2.756 20 0 DFADRP c1cc(C[N@@H+]2CC[C@@H](N3CC[NH2+]CC3)C2)cc(C2CCCC2)c1 ZINC000656785244 431522029 /nfs/dbraw/zinc/52/20/29/431522029.db2.gz FYGYYPPXEWZBQT-HXUWFJFHSA-N 2 0 313.489 2.824 20 0 DFADRP CC(=O)Nc1ccccc1C[NH+]1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000656787089 431522496 /nfs/dbraw/zinc/52/24/96/431522496.db2.gz SWUYXIJOKBQWMF-QGZVFWFLSA-N 2 0 315.461 2.857 20 0 DFADRP CC[N@H+](C)C[C@H](O)CN1CCCC[C@H]1Cc1ccccc1F ZINC000653779280 431522846 /nfs/dbraw/zinc/52/28/46/431522846.db2.gz SKPSFGWMDAMHHS-IRXDYDNUSA-N 2 0 308.441 2.535 20 0 DFADRP COc1ccc(C[NH+]2CCC([C@H]3CCC[NH2+]C3)CC2)c(OC)c1 ZINC000656785948 431522939 /nfs/dbraw/zinc/52/29/39/431522939.db2.gz NTNFYJXUFYOCCX-INIZCTEOSA-N 2 0 318.461 2.915 20 0 DFADRP C[C@H]1C[C@H](NCC2([NH3+])CCCC2)CC[N@@H+]1Cc1ccccc1 ZINC000656789093 431525165 /nfs/dbraw/zinc/52/51/65/431525165.db2.gz IVFLGRUFZBUFNN-FUHWJXTLSA-N 2 0 301.478 2.901 20 0 DFADRP C[C@H]1C[C@@H](NC[C@@H]2C[NH+](C)C[C@H]2c2ccccc2)C[N@@H+]1C1CC1 ZINC000647248768 431527256 /nfs/dbraw/zinc/52/72/56/431527256.db2.gz BQRMRHRQAUTDKT-MMTROXRISA-N 2 0 313.489 2.547 20 0 DFADRP CN1CCC([NH2+][C@H]2CCN(Cc3ccccc3)C3(CC3)C2)CC1 ZINC000647168961 431488489 /nfs/dbraw/zinc/48/84/89/431488489.db2.gz TUCTWRCZEWWAEC-IBGZPJMESA-N 2 0 313.489 2.867 20 0 DFADRP Cc1cc(-n2ccnc2)ccc1C[N@H+]1[C@@H]2CC[C@H]1CCN(C)C2 ZINC000653682617 431489196 /nfs/dbraw/zinc/48/91/96/431489196.db2.gz OPLVLOOQAZARIY-PKOBYXMFSA-N 2 0 310.445 2.849 20 0 DFADRP C[C@@H]1C[C@H]([NH2+]Cc2ccc(C[NH+]3C[C@@H](C)O[C@H](C)C3)cc2)CO1 ZINC000647170339 431492545 /nfs/dbraw/zinc/49/25/45/431492545.db2.gz WNLFKPCVZGLKDU-NNFUDEMPSA-N 2 0 318.461 2.563 20 0 DFADRP C[C@@H]1C[C@@H]([NH2+][C@H]2[C@H](C)C[N@@H+](Cc3ccccc3)C[C@@H]2C)CO1 ZINC000647192731 431504242 /nfs/dbraw/zinc/50/42/42/431504242.db2.gz VSUGRVXDYQJPIM-DARIXABFSA-N 2 0 302.462 2.910 20 0 DFADRP OC[C@H](CC1CC1)[NH2+][C@H]1CCN(Cc2ccccc2)C2(CC2)C1 ZINC000647196477 431504854 /nfs/dbraw/zinc/50/48/54/431504854.db2.gz AFKVAZQAYRLFBS-OALUTQOASA-N 2 0 314.473 2.934 20 0 DFADRP C[C@H]([NH2+]C[C@@H]1C[N@H+](C)C[C@H]1c1ccccc1)[C@@]1(C)CCCO1 ZINC000647344621 431560122 /nfs/dbraw/zinc/56/01/22/431560122.db2.gz VRFJCWHHHXYBSN-WZGPROSRSA-N 2 0 302.462 2.879 20 0 DFADRP C[N@@H+]1CC[C@@]2(C1)CCC[NH+](CCC(=O)Nc1ccc(F)cc1)C2 ZINC000660655518 431533478 /nfs/dbraw/zinc/53/34/78/431533478.db2.gz ORYVXUHYHICGBZ-GOSISDBHSA-N 2 0 319.424 2.572 20 0 DFADRP CC(C)C[C@@H]([NH2+]C1CCN(CC[NH+](C)C)CC1)c1ccncc1 ZINC000647282115 431537108 /nfs/dbraw/zinc/53/71/08/431537108.db2.gz AARFSZMARJPWOB-LJQANCHMSA-N 2 0 318.509 2.784 20 0 DFADRP CC(C)C[C@@H]([NH2+]CCCN1CCC[N@H+](C)CC1)c1ccncc1 ZINC000647288251 431539041 /nfs/dbraw/zinc/53/90/41/431539041.db2.gz VSLSLOSFUKJMIC-LJQANCHMSA-N 2 0 318.509 2.786 20 0 DFADRP CC(C)[N@H+](C)C[C@H](O)C[NH2+][C@H]1CCCC[C@H]1CC(F)(F)F ZINC000660670206 431541983 /nfs/dbraw/zinc/54/19/83/431541983.db2.gz CJKOGJFQYNZXBH-MJBXVCDLSA-N 2 0 310.404 2.788 20 0 DFADRP C[C@H]([NH2+]CC1CC[NH+](C2CC2)CC1)c1cc2n(n1)CCCC2 ZINC000647301734 431544852 /nfs/dbraw/zinc/54/48/52/431544852.db2.gz ZBGRPEKNTKVVLT-AWEZNQCLSA-N 2 0 302.466 2.744 20 0 DFADRP C[NH+](C)CCCC(C)(C)NC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000653845211 431550240 /nfs/dbraw/zinc/55/02/40/431550240.db2.gz JYTXOJPKEXJJNB-MRXNPFEDSA-N 2 0 323.525 2.878 20 0 DFADRP Cc1cccc2nc(CC[NH2+]C3CC[NH+](C(C)C)CC3)cn21 ZINC000647364863 431566049 /nfs/dbraw/zinc/56/60/49/431566049.db2.gz PICDQEQHCUNDTO-UHFFFAOYSA-N 2 0 300.450 2.648 20 0 DFADRP C[C@]1(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)OCCc2sccc21 ZINC000353610152 280158628 /nfs/dbraw/zinc/15/86/28/280158628.db2.gz LSLZVTWURPMWBN-CKEIUWERSA-N 2 0 306.475 2.752 20 0 DFADRP CC(C)[C@H](C(=O)NCC[N@H+](C)C1CCCCC1)[NH+]1CCCCC1 ZINC000354842371 280170698 /nfs/dbraw/zinc/17/06/98/280170698.db2.gz WEYSAOGTWXPOHN-GOSISDBHSA-N 2 0 323.525 2.878 20 0 DFADRP CC(C)[C@H](C(=O)N[C@H](C)C[N@@H+]1CCC[C@@H](C)C1)[NH+]1CCCCC1 ZINC000354736547 280182300 /nfs/dbraw/zinc/18/23/00/280182300.db2.gz SOHVPCPWOQZONQ-KZNAEPCWSA-N 2 0 323.525 2.734 20 0 DFADRP CC(C)[N@H+](C)C[C@H](O)C[NH+](C)[C@H]1CCC[C@H]1c1ccccc1 ZINC000660774843 431593084 /nfs/dbraw/zinc/59/30/84/431593084.db2.gz BZTOEMVGMRHHDV-FHWLQOOXSA-N 2 0 304.478 2.956 20 0 DFADRP CC[C@@H]1C[N@H+](Cc2ccc(C)cc2-c2cnn(C)c2)CC[C@H]1[NH3+] ZINC000647497749 431604905 /nfs/dbraw/zinc/60/49/05/431604905.db2.gz TWIRIQFQIJKDHD-DNVCBOLYSA-N 2 0 312.461 2.955 20 0 DFADRP [NH3+]CC1CC[NH+](Cc2cnn(Cc3ccccc3Cl)c2)CC1 ZINC000647482264 431601939 /nfs/dbraw/zinc/60/19/39/431601939.db2.gz SBNNEYFNYQWRIE-UHFFFAOYSA-N 2 0 318.852 2.756 20 0 DFADRP c1cnc(Oc2ccc(C[N@H+](C3CC3)C3CC[NH2+]CC3)cc2)cn1 ZINC000647483066 431601992 /nfs/dbraw/zinc/60/19/92/431601992.db2.gz WGDJANKLCHXHEC-UHFFFAOYSA-N 2 0 324.428 2.985 20 0 DFADRP COCCOc1cccc(C[N@@H+]2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)c1 ZINC000647480695 431602786 /nfs/dbraw/zinc/60/27/86/431602786.db2.gz XLBUACWQWKSIAM-HKUYNNGSSA-N 2 0 318.461 2.676 20 0 DFADRP Cn1nccc1[C@H]1[C@H](CNc2[nH+]ccc3[nH]ccc32)CCC[N@@H+]1C ZINC000663898037 431584911 /nfs/dbraw/zinc/58/49/11/431584911.db2.gz BAYATEVIVITFQI-SUMWQHHRSA-N 2 0 324.432 2.791 20 0 DFADRP CC(C)c1nc(C[N@@H+]2CCC[C@H]([C@H]3C[C@@H]([NH3+])CCO3)C2)cs1 ZINC000650706576 431653425 /nfs/dbraw/zinc/65/34/25/431653425.db2.gz NPSPGDQCNXJTRW-OFQRWUPVSA-N 2 0 323.506 2.985 20 0 DFADRP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCC[N@H+](Cc3cnc(C4CC4)s3)C2)C1 ZINC000650707581 431654211 /nfs/dbraw/zinc/65/42/11/431654211.db2.gz IZGYNUHTKWAQHT-FMKPAKJESA-N 2 0 321.490 2.739 20 0 DFADRP Cc1cc(F)ccc1C[N@@H+]1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000650705916 431654971 /nfs/dbraw/zinc/65/49/71/431654971.db2.gz AFCZMQXJBMPISU-RYQLBKOJSA-N 2 0 306.425 2.852 20 0 DFADRP COC[C@H](C)Oc1ccc(C[NH2+]CCC[NH+]2CCCC2)cc1 ZINC000657295829 431656304 /nfs/dbraw/zinc/65/63/04/431656304.db2.gz JZCMFPDNZBHJKQ-INIZCTEOSA-N 2 0 306.450 2.676 20 0 DFADRP COc1ccc(C[NH2+]CCC2(C[NH3+])CC2)c(OC(F)F)c1 ZINC000650712756 431659804 /nfs/dbraw/zinc/65/98/04/431659804.db2.gz SQJFSZGYDFPNJH-UHFFFAOYSA-N 2 0 300.349 2.515 20 0 DFADRP CC[C@@H]1C[N@H+](Cc2ccc(C)cc2-c2ccnn2C)CC[C@@H]1[NH3+] ZINC000647497758 431606494 /nfs/dbraw/zinc/60/64/94/431606494.db2.gz UDYAOCBVLVTWGF-QAPCUYQASA-N 2 0 312.461 2.955 20 0 DFADRP Cc1ccc(-c2nn(C)cc2C[N@H+]2CCC[C@@H]([C@@H](C)[NH3+])C2)o1 ZINC000647496494 431607344 /nfs/dbraw/zinc/60/73/44/431607344.db2.gz LFVDFNOTKWRRAL-ZIAGYGMSSA-N 2 0 302.422 2.548 20 0 DFADRP CC[C@@H]1C[N@H+](Cc2c[nH]nc2-c2ccc(F)cc2)CC[C@H]1[NH3+] ZINC000647498610 431610010 /nfs/dbraw/zinc/61/00/10/431610010.db2.gz KZKYOIPZHHYKAM-MLGOLLRUSA-N 2 0 302.397 2.775 20 0 DFADRP CCc1ccccc1NC(=O)C[C@@H](C)[NH2+]CCC1(C[NH3+])CC1 ZINC000650713116 431660577 /nfs/dbraw/zinc/66/05/77/431660577.db2.gz GOHKQNQHFCWPRY-CQSZACIVSA-N 2 0 303.450 2.685 20 0 DFADRP Cc1ccc(-c2nn(C)cc2C[N@@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)o1 ZINC000647511821 431612300 /nfs/dbraw/zinc/61/23/00/431612300.db2.gz ILBQRVANDJHMKZ-IMJJTQAJSA-N 2 0 314.433 2.548 20 0 DFADRP C[C@H]1CCCC[N@@H+]1CCC1CC[NH+](Cc2ccc(N)nc2)CC1 ZINC000647518084 431614822 /nfs/dbraw/zinc/61/48/22/431614822.db2.gz CWEYUDILSAEGEY-INIZCTEOSA-N 2 0 316.493 2.971 20 0 DFADRP CCn1ccnc1[C@H](C)NC(=O)c1ccc(C[NH+](CC)CC)o1 ZINC000654005046 431616314 /nfs/dbraw/zinc/61/63/14/431616314.db2.gz NRDLLURKLVIBAG-ZDUSSCGKSA-N 2 0 318.421 2.829 20 0 DFADRP Nc1ccc(C[N@@H+]2CCCC[C@@H]2[C@H](C[NH3+])Cc2ccccc2)cn1 ZINC000647532611 431617185 /nfs/dbraw/zinc/61/71/85/431617185.db2.gz UCZVXDHKRMUURE-RBUKOAKNSA-N 2 0 324.472 2.666 20 0 DFADRP [NH3+]Cc1ccc(CN[C@@H]2CC[NH2+][C@H](c3ccccc3)C2)c(F)c1 ZINC000650716542 431660841 /nfs/dbraw/zinc/66/08/41/431660841.db2.gz BLVPKMPFPYDIDM-MJGOQNOKSA-N 2 0 313.420 2.867 20 0 DFADRP CCOc1ccc(C[NH2+]C2CCN(CC[NH+](C)C)CC2)c(C)c1 ZINC000657305584 431660880 /nfs/dbraw/zinc/66/08/80/431660880.db2.gz HBLFTCJNVVTUPZ-UHFFFAOYSA-N 2 0 319.493 2.509 20 0 DFADRP [NH3+]CCC[N@H+](Cc1ccccc1)Cc1ccccc1-n1cncn1 ZINC000647535283 431619752 /nfs/dbraw/zinc/61/97/52/431619752.db2.gz CACBOMBLUSEOGS-UHFFFAOYSA-N 2 0 321.428 2.618 20 0 DFADRP c1cc(C[N@@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)c2c(c1)OCCO2 ZINC000647544166 431624459 /nfs/dbraw/zinc/62/44/59/431624459.db2.gz XSBYUNKTSWARFZ-HOTGVXAUSA-N 2 0 316.445 2.669 20 0 DFADRP CC(C)(C)c1n[nH]cc1C[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647543869 431624478 /nfs/dbraw/zinc/62/44/78/431624478.db2.gz TUVRTTHALCYVSD-CABCVRRESA-N 2 0 304.482 2.919 20 0 DFADRP CC(=O)Nc1ccccc1C[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647543521 431624797 /nfs/dbraw/zinc/62/47/97/431624797.db2.gz ORXBYXASJZKIII-DLBZAZTESA-N 2 0 315.461 2.857 20 0 DFADRP CCN(C)c1ccc(C[N@@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)cn1 ZINC000647543315 431625342 /nfs/dbraw/zinc/62/53/42/431625342.db2.gz KXMJTOTVCOIHPM-ROUUACIJSA-N 2 0 316.493 2.749 20 0 DFADRP CC(=O)Nc1ccc(C[N@@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)cc1 ZINC000647544259 431625466 /nfs/dbraw/zinc/62/54/66/431625466.db2.gz YTIQVGQECZVNPV-ZWKOTPCHSA-N 2 0 315.461 2.857 20 0 DFADRP Cc1cccn2c(C[N@@H+]3CCC[C@@H]([C@@H]4CCC[NH2+]C4)C3)cnc12 ZINC000647543406 431625636 /nfs/dbraw/zinc/62/56/36/431625636.db2.gz MUOPTNOKKDEAHL-IAGOWNOFSA-N 2 0 312.461 2.854 20 0 DFADRP CC(C)(C[NH+]1CCC([C@@H]2OCC[C@H]2[NH3+])CC1)c1ccccc1 ZINC000647544953 431625944 /nfs/dbraw/zinc/62/59/44/431625944.db2.gz LKUTWEQLYRPCNO-MSOLQXFVSA-N 2 0 302.462 2.792 20 0 DFADRP Cn1c2ccccc2nc1C[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647543335 431626150 /nfs/dbraw/zinc/62/61/50/431626150.db2.gz LEKLSIAYWNMVQC-HZPDHXFCSA-N 2 0 312.461 2.785 20 0 DFADRP c1cc(C[N@@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)cc2c1OCC2 ZINC000647544096 431626369 /nfs/dbraw/zinc/62/63/69/431626369.db2.gz WRCHNEYOCHDKNX-ZWKOTPCHSA-N 2 0 300.446 2.833 20 0 DFADRP COc1ccc(CCC[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)cc1OC ZINC000647550361 431628687 /nfs/dbraw/zinc/62/86/87/431628687.db2.gz NBDFZRVQGHVSKL-GVDBMIGSSA-N 2 0 318.461 2.614 20 0 DFADRP Cc1cc(C)n(-c2ccccc2C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)n1 ZINC000647548570 431628984 /nfs/dbraw/zinc/62/89/84/431628984.db2.gz IUSHCZOQVTYJIS-NZSAHSFTSA-N 2 0 324.472 2.967 20 0 DFADRP Cc1cccc2nc(CC[NH2+][C@@H]3CCC[C@H]3[C@@H]3CCC[NH2+]3)cn21 ZINC000647554266 431630061 /nfs/dbraw/zinc/63/00/61/431630061.db2.gz VOTNTKJLOSGXSU-KURKYZTESA-N 2 0 312.461 2.696 20 0 DFADRP CC(C)N(C)c1ccc(C[NH2+]Cc2ccc(C[NH3+])cc2F)cn1 ZINC000650716783 431661688 /nfs/dbraw/zinc/66/16/88/431661688.db2.gz JRRCZBJSNFOPKP-UHFFFAOYSA-N 2 0 316.424 2.814 20 0 DFADRP CCn1nccc1[C@@H]1OCCC[C@H]1C[NH2+]CCC[NH+](CC)CC ZINC000657283961 431648574 /nfs/dbraw/zinc/64/85/74/431648574.db2.gz JBRVZQKOOACLNQ-FUHWJXTLSA-N 2 0 322.497 2.692 20 0 DFADRP COC[C@@H](C)Oc1ccc(C[NH2+]CC(C)(C)C[NH+](C)C)cc1 ZINC000657286473 431648659 /nfs/dbraw/zinc/64/86/59/431648659.db2.gz XXRLJFKMSOLRBT-OAHLLOKOSA-N 2 0 308.466 2.778 20 0 DFADRP C[NH2+]Cc1ccccc1C[NH2+][C@@H]1CCN[C@@H](c2ccccc2)C1 ZINC000650720055 431665700 /nfs/dbraw/zinc/66/57/00/431665700.db2.gz DABHGECPOXZWPR-WOJBJXKFSA-N 2 0 309.457 2.989 20 0 DFADRP COc1cc(C[N@@H+]2CCCC[C@@H]2[C@@H]2C[C@H]([NH3+])CCO2)ccc1C ZINC000650724168 431667955 /nfs/dbraw/zinc/66/79/55/431667955.db2.gz ZLFDTOKNPUSSLK-LMMKCTJWSA-N 2 0 318.461 2.864 20 0 DFADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCC[NH2+]Cc2cc3n(n2)CCC3)C1 ZINC000657313835 431667981 /nfs/dbraw/zinc/66/79/81/431667981.db2.gz VGCWZUWAXBXOOI-IYBDPMFKSA-N 2 0 304.482 2.677 20 0 DFADRP Cc1ccc(CCC[N@@H+]2CCCC[C@@H]2[C@H]2C[C@H]([NH3+])CCO2)cn1 ZINC000650724505 431668821 /nfs/dbraw/zinc/66/88/21/431668821.db2.gz HWQDBTARPOJIMT-GUDVDZBRSA-N 2 0 317.477 2.683 20 0 DFADRP C[C@H](C[NH2+]Cc1ccc(O[C@H]2CCOC2)cc1)C[NH+]1CCCC1 ZINC000657319197 431674441 /nfs/dbraw/zinc/67/44/41/431674441.db2.gz UZXFSNYSPJYGDO-APWZRJJASA-N 2 0 318.461 2.676 20 0 DFADRP CCC[N@@H+]1CC[C@H](C[NH2+]Cc2ccc(O[C@H]3CCOC3)cc2)C1 ZINC000657325632 431677515 /nfs/dbraw/zinc/67/75/15/431677515.db2.gz ODZRIIRJHSCSNH-MJGOQNOKSA-N 2 0 318.461 2.676 20 0 DFADRP O=C(c1ccc(O)cc1)C1CC[NH+](CCC2CC[NH2+]CC2)CC1 ZINC000647874176 431713093 /nfs/dbraw/zinc/71/30/93/431713093.db2.gz DKUHQVOAHPLHKB-UHFFFAOYSA-N 2 0 316.445 2.677 20 0 DFADRP c1cc([C@@H]2C[C@H]([NH2+][C@@H]3CCC[C@H]3[C@H]3CCC[NH2+]3)CCO2)ccn1 ZINC000650752351 431680205 /nfs/dbraw/zinc/68/02/05/431680205.db2.gz PKLRRSRWVFOABV-ZRSRNVLSSA-N 2 0 315.461 2.812 20 0 DFADRP CC(C)n1ccnc1CNCc1ccccc1OCC[NH+](C)C ZINC000657336986 431681806 /nfs/dbraw/zinc/68/18/06/431681806.db2.gz CZQYPUIHBLYSIW-UHFFFAOYSA-N 2 0 316.449 2.694 20 0 DFADRP C[C@H]([NH2+]CCC1CC[NH2+]CC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000650762677 431683816 /nfs/dbraw/zinc/68/38/16/431683816.db2.gz HSMLKOINMZIDRG-PXNSSMCTSA-N 3 0 315.505 2.876 20 0 DFADRP C[C@H]([NH2+]CCC1CC[NH2+]CC1)c1ncc(Br)s1 ZINC000650762744 431684344 /nfs/dbraw/zinc/68/43/44/431684344.db2.gz IXFWVGQKBGDTGF-VIFPVBQESA-N 2 0 318.284 2.946 20 0 DFADRP COc1ccc2[nH]cc(CC[NH2+][C@@H]3CC[C@@H]4C[NH2+]C[C@@H]4C3)c2c1 ZINC000647785607 431685227 /nfs/dbraw/zinc/68/52/27/431685227.db2.gz CAYKPBFQQZTARK-VNQPRFMTSA-N 2 0 313.445 2.697 20 0 DFADRP CCCC(=O)Nc1ccc(C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000647790350 431686282 /nfs/dbraw/zinc/68/62/82/431686282.db2.gz WQTQJZCFMSCOHI-LZLYRXPVSA-N 2 0 315.461 2.903 20 0 DFADRP C[C@@H]([NH2+]CCC1CC[NH2+]CC1)c1ccc2c(c1)OCCCO2 ZINC000650764142 431686344 /nfs/dbraw/zinc/68/63/44/431686344.db2.gz QYIVLDVCGQEIGF-CQSZACIVSA-N 2 0 304.434 2.888 20 0 DFADRP C(Cc1nc2c(s1)CCCC2)[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000647791685 431686446 /nfs/dbraw/zinc/68/64/46/431686446.db2.gz KHIMDSIZXAWSRO-HZSPNIEDSA-N 2 0 305.491 2.542 20 0 DFADRP C[C@H]([NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)[C@@H]1Oc2ccccc2[C@@H]1C ZINC000647791551 431686504 /nfs/dbraw/zinc/68/65/04/431686504.db2.gz HCOAKVIPQYRYCO-ZDAUNECASA-N 2 0 300.446 2.917 20 0 DFADRP C[C@H]([NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)[C@H]1Oc2ccccc2[C@@H]1C ZINC000647791549 431687633 /nfs/dbraw/zinc/68/76/33/431687633.db2.gz HCOAKVIPQYRYCO-VMKZXYDASA-N 2 0 300.446 2.917 20 0 DFADRP COc1ccccc1C1(C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)CC1 ZINC000647788570 431687695 /nfs/dbraw/zinc/68/76/95/431687695.db2.gz MHJPNRLLMRTNCL-HRCADAONSA-N 2 0 300.446 2.705 20 0 DFADRP CC(C)Oc1ccc(CC[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000647788897 431688104 /nfs/dbraw/zinc/68/81/04/431688104.db2.gz UXYOEBVBSHXJQM-RCCFBDPRSA-N 2 0 302.462 2.994 20 0 DFADRP c1coc([C@H](C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)N2CCCCC2)c1 ZINC000647792350 431688372 /nfs/dbraw/zinc/68/83/72/431688372.db2.gz ZSKIZJFZURWESY-TVFCKZIOSA-N 2 0 317.477 2.784 20 0 DFADRP Cn1c(C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)nc2cc(Cl)ccc21 ZINC000647795825 431689239 /nfs/dbraw/zinc/68/92/39/431689239.db2.gz XGGYIAWFWBNQEH-MBNYWOFBSA-N 2 0 318.852 2.704 20 0 DFADRP Clc1ccc(N2CC[C@H]([NH2+][C@@H]3CC[C@H]4C[NH2+]C[C@@H]4C3)C2)cc1 ZINC000647794006 431689252 /nfs/dbraw/zinc/68/92/52/431689252.db2.gz OELBYSOWRFMVKY-DIECFANBSA-N 2 0 319.880 2.896 20 0 DFADRP FC(F)Oc1ccccc1CC[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000647795653 431689540 /nfs/dbraw/zinc/68/95/40/431689540.db2.gz SMGCVDHHORRUAZ-RRFJBIMHSA-N 2 0 310.388 2.808 20 0 DFADRP CC(C)COC[C@H]([NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1)c1ccco1 ZINC000647793211 431689883 /nfs/dbraw/zinc/68/98/83/431689883.db2.gz PNJIGLKHVLEDKP-VQHPVUNQSA-N 2 0 306.450 2.971 20 0 DFADRP Cc1ccc([C@H](C[NH2+]Cc2nc(C)c(C)[nH]2)N2CCCC2)o1 ZINC000657342226 431689916 /nfs/dbraw/zinc/68/99/16/431689916.db2.gz VJBLSCIUPYIEAO-HNNXBMFYSA-N 2 0 302.422 2.855 20 0 DFADRP COc1cccc([C@H]2C[C@H]([NH2+][C@@H]3CC[C@@H]4C[NH2+]C[C@@H]4C3)C2)c1 ZINC000647798489 431691164 /nfs/dbraw/zinc/69/11/64/431691164.db2.gz RJYDWLRKLYSMTD-UYTYNIKBSA-N 2 0 300.446 2.919 20 0 DFADRP c1ccc([C@@H]2CC[C@H](C[NH2+][C@@H]3CC[C@H]4C[NH2+]C[C@H]4C3)O2)cc1 ZINC000647797888 431691502 /nfs/dbraw/zinc/69/15/02/431691502.db2.gz GIJGWCYLDKQBMH-VHPHOLNESA-N 2 0 300.446 2.884 20 0 DFADRP Cc1c(F)cccc1NC(=O)CC[N@H+](C1CC1)C1CC[NH2+]CC1 ZINC000647814708 431696526 /nfs/dbraw/zinc/69/65/26/431696526.db2.gz AONCVMXOIUAJPD-UHFFFAOYSA-N 2 0 319.424 2.679 20 0 DFADRP CC[C@@H]1C[C@@H]([NH2+]C[C@H]2CC[N@H+](CCc3ccccc3)C2)CO1 ZINC000657354591 431697686 /nfs/dbraw/zinc/69/76/86/431697686.db2.gz SGDUOQUITZXMRF-GUDVDZBRSA-N 2 0 302.462 2.708 20 0 DFADRP C[C@H]([NH3+])[C@@H]1CN(CCCOc2ccc3ccccc3c2)CCO1 ZINC000647863793 431711030 /nfs/dbraw/zinc/71/10/30/431711030.db2.gz KCZBIKYZKGMOQW-KXBFYZLASA-N 2 0 314.429 2.657 20 0 DFADRP CC[NH+]1CCC(CC[NH2+]Cc2cc(C(F)(F)F)nn2C)CC1 ZINC000657377340 431711500 /nfs/dbraw/zinc/71/15/00/431711500.db2.gz SGVKQDBJNONSQJ-UHFFFAOYSA-N 2 0 318.387 2.651 20 0 DFADRP C[C@@H]([NH3+])[C@H]1CN(CCCOc2ccc3ccccc3c2)CCO1 ZINC000647863791 431712044 /nfs/dbraw/zinc/71/20/44/431712044.db2.gz KCZBIKYZKGMOQW-DNVCBOLYSA-N 2 0 314.429 2.657 20 0 DFADRP C[NH2+]Cc1ccccc1C[NH2+]Cc1c[nH]nc1-c1ccc(C)o1 ZINC000650719685 431662675 /nfs/dbraw/zinc/66/26/75/431662675.db2.gz ZCLUNKFVEVSZMP-UHFFFAOYSA-N 2 0 310.401 2.987 20 0 DFADRP C[C@H](CC(=O)N1CCCCCC1)[NH2+]Cc1ccc(C[NH3+])cc1F ZINC000650717524 431663264 /nfs/dbraw/zinc/66/32/64/431663264.db2.gz DAGVDMJLSYTDMV-CQSZACIVSA-N 2 0 321.440 2.555 20 0 DFADRP CC(C)(O)C[NH+]1CCC([NH2+][C@H]2CCCc3ccccc32)CC1 ZINC000647908775 431723762 /nfs/dbraw/zinc/72/37/62/431723762.db2.gz HAPHOGKSFQSQPX-SFHVURJKSA-N 2 0 302.462 2.889 20 0 DFADRP C[NH+](C)Cc1cccc(NC(=O)N[C@@H]2CC[N@@H+](C(C)(C)C)C2)c1 ZINC000664304694 431728703 /nfs/dbraw/zinc/72/87/03/431728703.db2.gz ILQVVIUFDUFBKY-MRXNPFEDSA-N 2 0 318.465 2.743 20 0 DFADRP CC[C@@H](C)[N@H+](CC)CC(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000661103124 431732335 /nfs/dbraw/zinc/73/23/35/431732335.db2.gz DUENINGGLUCXQU-NVXWUHKLSA-N 2 0 305.466 2.526 20 0 DFADRP Cn1nc(C(F)(F)F)cc1C[NH2+]C1CCC(C[NH+](C)C)CC1 ZINC000657413366 431734247 /nfs/dbraw/zinc/73/42/47/431734247.db2.gz AAIYGBYSBPXNBT-UHFFFAOYSA-N 2 0 318.387 2.649 20 0 DFADRP [NH3+]CC[C@H]1CCC[N@H+](Cc2ccn(-c3cccc(F)c3)n2)C1 ZINC000647951200 431743012 /nfs/dbraw/zinc/74/30/12/431743012.db2.gz DCNNGNJSFIAUIU-CQSZACIVSA-N 2 0 302.397 2.572 20 0 DFADRP CCC[N@H+](C[C@@H](O)C[NH+](C)C(C)C)[C@H]1CCc2ccccc2C1 ZINC000647960157 431752222 /nfs/dbraw/zinc/75/22/22/431752222.db2.gz JEDKKZRKVQEENB-PMACEKPBSA-N 2 0 318.505 2.957 20 0 DFADRP C[C@]1(C[NH2+]Cc2ccnn2-c2cc[nH+]cc2)CCO[C@H]1C1CC1 ZINC000657438336 431752516 /nfs/dbraw/zinc/75/25/16/431752516.db2.gz OZWKRNZSJZQJFX-ZWKOTPCHSA-N 2 0 312.417 2.562 20 0 DFADRP Cc1ccc(C[C@H]2CCC[NH+]2C[C@H](O)C[N@@H+](C)C(C)C)cc1 ZINC000647964003 431757404 /nfs/dbraw/zinc/75/74/04/431757404.db2.gz MIARARXXYSDPPC-RTBURBONSA-N 2 0 304.478 2.703 20 0 DFADRP C[C@H]1CN(CCC[NH2+]Cc2cc3ccncc3s2)CCCO1 ZINC000657448536 431757658 /nfs/dbraw/zinc/75/76/58/431757658.db2.gz LBCIMKNYNSNNPT-AWEZNQCLSA-N 2 0 319.474 2.887 20 0 DFADRP CCOc1ccc(C[NH2+]CCC[N@@H+]2CCCO[C@@H](C)C2)c(C)c1 ZINC000657449252 431760515 /nfs/dbraw/zinc/76/05/15/431760515.db2.gz SAKSFFDNSBQCQG-KRWDZBQOSA-N 2 0 320.477 2.984 20 0 DFADRP COc1ccc(CC[N@@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)cc1 ZINC000647977081 431761161 /nfs/dbraw/zinc/76/11/61/431761161.db2.gz XRIVJYXRWZXZDS-QZTJIDSGSA-N 2 0 302.462 2.949 20 0 DFADRP Cn1ncc(C2CCC2)c1CNC1CC([NH+]2CCCCC2)C1 ZINC000657456920 431761986 /nfs/dbraw/zinc/76/19/86/431761986.db2.gz BMLBCZRMRQKYSA-UHFFFAOYSA-N 2 0 302.466 2.794 20 0 DFADRP COc1ccc(OCC[N@@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)cc1 ZINC000647976335 431762624 /nfs/dbraw/zinc/76/26/24/431762624.db2.gz NGNGIPLWKIOWAZ-IRXDYDNUSA-N 2 0 318.461 2.786 20 0 DFADRP Cc1ccc(NC(=O)C[N@@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)cc1 ZINC000647975372 431763095 /nfs/dbraw/zinc/76/30/95/431763095.db2.gz YRNTUJQZEZVTPP-IAGOWNOFSA-N 2 0 315.461 2.645 20 0 DFADRP CC[C@@H]1c2ccccc2CC[N@H+]1C[C@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC000647885652 431717718 /nfs/dbraw/zinc/71/77/18/431717718.db2.gz AWZJWFNQFKMUQT-HBMCJLEFSA-N 2 0 324.468 2.927 20 0 DFADRP [NH3+]CCOCC[N@@H+]1CCC[C@H]1c1ccccc1Br ZINC000647890703 431717959 /nfs/dbraw/zinc/71/79/59/431717959.db2.gz HTCVERYORJDLRX-AWEZNQCLSA-N 2 0 313.239 2.561 20 0 DFADRP C[N@H+](CCCC1CC[NH2+]CC1)[C@@H]1CCN(c2ccccc2)C1=O ZINC000647884470 431718611 /nfs/dbraw/zinc/71/86/11/431718611.db2.gz UJMKUYYNJMWYTB-GOSISDBHSA-N 2 0 315.461 2.504 20 0 DFADRP COc1ccsc1C[NH2+]CC1CC[NH+](C2CCOCC2)CC1 ZINC000657536056 431799235 /nfs/dbraw/zinc/79/92/35/431799235.db2.gz WXSYQRUVZHRUJT-UHFFFAOYSA-N 2 0 324.490 2.737 20 0 DFADRP c1ccc2c(N[C@@H]3C[C@@H]([NH+]4CCOCC4)C34CCC4)cc[nH+]c2c1 ZINC000664537000 431809740 /nfs/dbraw/zinc/80/97/40/431809740.db2.gz CDDHHGMXODNIIS-RTBURBONSA-N 2 0 323.440 2.712 20 0 DFADRP Cc1ccc2cc(C[NH2+][C@@H](C)CN(C)CCC[NH+](C)C)[nH]c2c1 ZINC000657572552 431814491 /nfs/dbraw/zinc/81/44/91/431814491.db2.gz AEMWRMRHRJHWCU-INIZCTEOSA-N 2 0 316.493 2.838 20 0 DFADRP C[C@@H](CN(C)CCC[NH+](C)C)[NH2+]Cc1sccc1Cl ZINC000657573427 431815154 /nfs/dbraw/zinc/81/51/54/431815154.db2.gz MZKVJLAZDGWYKN-LBPRGKRZSA-N 2 0 303.903 2.763 20 0 DFADRP CC(C)([NH3+])c1noc(C[N@@H+]2CC[C@H]([C@H]3CCCC3(C)C)C2)n1 ZINC000647995262 431770298 /nfs/dbraw/zinc/77/02/98/431770298.db2.gz JSKLASRQWOLCCP-QWHCGFSZSA-N 2 0 306.454 2.912 20 0 DFADRP C[N@H+](CCCC[NH2+]Cc1ccc(O[C@@H]2CCOC2)cc1)C1CC1 ZINC000657486962 431780754 /nfs/dbraw/zinc/78/07/54/431780754.db2.gz DDDKPYXXPTZVEK-LJQANCHMSA-N 2 0 318.461 2.818 20 0 DFADRP CC(C)[N@H+](C)C[C@H](O)C[NH+]1CCc2ccccc2C(C)(C)C1 ZINC000661214459 431782300 /nfs/dbraw/zinc/78/23/00/431782300.db2.gz ABURGSTZOPJWPF-KRWDZBQOSA-N 2 0 304.478 2.523 20 0 DFADRP C[C@@H]1CC[C@@H]([NH2+]Cc2ccc(C[N@@H+]3CC[C@@H](O)C3)cc2)CS1 ZINC000657598016 431821234 /nfs/dbraw/zinc/82/12/34/431821234.db2.gz WYSAXGJHFAYVSS-ZTFGCOKTSA-N 2 0 320.502 2.627 20 0 DFADRP C[C@H]([NH2+]Cc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1)[C@H]1CC1(C)C ZINC000657597275 431821355 /nfs/dbraw/zinc/82/13/55/431821355.db2.gz SADYJWQYYWLHCL-BMGDILEWSA-N 2 0 302.462 2.777 20 0 DFADRP O[C@@H]1CC[N@H+](Cc2ccc(C[NH2+]C[C@H]3CC=CCC3)cc2)C1 ZINC000657596607 431821655 /nfs/dbraw/zinc/82/16/55/431821655.db2.gz XSKMHHGLABMOLA-QFBILLFUSA-N 2 0 300.446 2.699 20 0 DFADRP Fc1cnccc1C[NH2+]CC1CC[NH+](Cc2ccncc2)CC1 ZINC000657613267 431825214 /nfs/dbraw/zinc/82/52/14/431825214.db2.gz JZRRGPONCFOPSQ-UHFFFAOYSA-N 2 0 314.408 2.618 20 0 DFADRP CC(C)OC[C@@H](C)[NH2+]CC1CC[NH+](Cc2ccncc2)CC1 ZINC000657613225 431825605 /nfs/dbraw/zinc/82/56/05/431825605.db2.gz JEDCPBNDOOIZBT-MRXNPFEDSA-N 2 0 305.466 2.697 20 0 DFADRP C[NH+](C)CCCOc1ccc(C[NH2+][C@H]2COC3(CCC3)C2)cc1 ZINC000657630666 431828644 /nfs/dbraw/zinc/82/86/44/431828644.db2.gz LRRWMJGGAHGETF-QGZVFWFLSA-N 2 0 318.461 2.818 20 0 DFADRP [NH3+]C1CCC(C(=O)N2CCC(CCC[NH+]3CCCC3)CC2)CC1 ZINC000648160062 431828660 /nfs/dbraw/zinc/82/86/60/431828660.db2.gz UTPMCTZCSKNZPV-UHFFFAOYSA-N 2 0 321.509 2.619 20 0 DFADRP Cc1ccc2c(C[N@H+]3CC[C@H](C)[C@H](C[NH3+])C3)cc(=O)oc2c1 ZINC000261987381 281045942 /nfs/dbraw/zinc/04/59/42/281045942.db2.gz BAJDACCXUXGBST-DZGCQCFKSA-N 2 0 300.402 2.518 20 0 DFADRP Cc1ccc2c(c1)[C@H]([NH2+]C[C@@H](O)C[NH+]1CCCCC1)[C@H](C)C2 ZINC000246037347 281118756 /nfs/dbraw/zinc/11/87/56/281118756.db2.gz WQWNLADBUPLRFU-SZVBFZGTSA-N 2 0 302.462 2.665 20 0 DFADRP Cc1ccc2nc(C[NH2+]CCCCC[NH+]3CCCC3)cn2c1 ZINC000292951866 281156018 /nfs/dbraw/zinc/15/60/18/281156018.db2.gz ITLLVSKSPSJVLZ-UHFFFAOYSA-N 2 0 300.450 2.998 20 0 DFADRP Cc1nc2c(s1)[C@@H]([NH2+]CCCC[N@@H+]1CCC[C@H]1CO)CCC2 ZINC000305135984 282033146 /nfs/dbraw/zinc/03/31/46/282033146.db2.gz ONAUVGSBULDPDG-GJZGRUSLSA-N 2 0 323.506 2.655 20 0 DFADRP Cc1[nH+]c2ccccc2c(N2CC[N@@H+](C[C@@H](C)O)[C@H](C)C2)c1C ZINC000302088410 282073218 /nfs/dbraw/zinc/07/32/18/282073218.db2.gz OJOWKKMOZJQOSR-ZIAGYGMSSA-N 2 0 313.445 2.743 20 0 DFADRP COc1cc([C@H](C)[NH2+]CCCN2CCC[N@H+](C)CC2)ccc1F ZINC000153620783 289052705 /nfs/dbraw/zinc/05/27/05/289052705.db2.gz MQNSYXKSQSIJTA-HNNXBMFYSA-N 2 0 323.456 2.513 20 0 DFADRP C[C@H](C(=O)N1CCC([NH+]2CCCCC2)CC1)[NH+]1CCCCCC1 ZINC000357785404 289261773 /nfs/dbraw/zinc/26/17/73/289261773.db2.gz CDJMDNSQFZSNQG-QGZVFWFLSA-N 2 0 321.509 2.728 20 0 DFADRP C[C@H](C(=O)N1CCC[C@@H]([NH+]2CCCC2)CC1)[NH+]1CCCCCC1 ZINC000150744483 289272803 /nfs/dbraw/zinc/27/28/03/289272803.db2.gz FIGDSVLJJFHILL-QZTJIDSGSA-N 2 0 321.509 2.728 20 0 DFADRP C[NH+](C)[C@@H]1CCc2cc(NC(=O)N3CCCC[C@H]3C[NH3+])ccc21 ZINC000332620465 289334737 /nfs/dbraw/zinc/33/47/37/289334737.db2.gz HSZFBYICWWSJMT-DOTOQJQBSA-N 2 0 316.449 2.581 20 0 DFADRP C[C@H]([NH3+])CCC(=O)NC[C@@H](c1cccs1)[NH+]1CCC(C)CC1 ZINC000193291138 289768056 /nfs/dbraw/zinc/76/80/56/289768056.db2.gz OPTJUDLENZLGRD-GJZGRUSLSA-N 2 0 323.506 2.765 20 0 DFADRP COCC[N@H+](C)CCCC1CC[NH+](Cc2cccc(N)c2)CC1 ZINC000436489909 297006276 /nfs/dbraw/zinc/00/62/76/297006276.db2.gz WXSRBNNJYYAHKH-UHFFFAOYSA-N 2 0 319.493 2.839 20 0 DFADRP CO[C@H](C)[C@@H](C)[NH2+][C@H](C)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000268848383 294320154 /nfs/dbraw/zinc/32/01/54/294320154.db2.gz FFVOZPHSMBVHPP-RBSFLKMASA-N 2 0 323.456 2.652 20 0 DFADRP CO[C@H](C)[C@H](C)[NH2+]Cc1ccccc1C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000358026028 294334413 /nfs/dbraw/zinc/33/44/13/294334413.db2.gz UHUAPWIECQQMSI-WCXIOVBPSA-N 2 0 320.477 2.809 20 0 DFADRP C[N@H+](CC[C@H]1CCOC1)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000437989321 297076814 /nfs/dbraw/zinc/07/68/14/297076814.db2.gz SUYTULQKGQLOIE-KRWDZBQOSA-N 2 0 303.450 2.656 20 0 DFADRP C[C@H](C[C@H](C)[NH2+]CCC[NH+]1CCCC1)NC(=O)OC(C)(C)C ZINC000494659626 299877772 /nfs/dbraw/zinc/87/77/72/299877772.db2.gz QMBMEMUFMLMURG-LSDHHAIUSA-N 2 0 313.486 2.754 20 0 DFADRP C[C@@H]1C[C@H]([NH2+]Cc2ccc(C[NH+]3CCC(O)CC3)cc2)[C@@H]1C ZINC000495088491 299902634 /nfs/dbraw/zinc/90/26/34/299902634.db2.gz DWYNWESXZYSFRD-CLCXKQKWSA-N 2 0 302.462 2.777 20 0 DFADRP CN1CC[NH+](CCCC[NH2+][C@H]2CC(C)(C)Cc3occc32)CC1 ZINC000154369514 295298618 /nfs/dbraw/zinc/29/86/18/295298618.db2.gz VQPPFQYAASOUDM-KRWDZBQOSA-N 2 0 319.493 2.910 20 0 DFADRP Cc1ccc2c(c1)[C@H]([NH2+]CCCC[NH+]1CCN(C)CC1)CC2 ZINC000154409862 295299472 /nfs/dbraw/zinc/29/94/72/295299472.db2.gz PHPXTKNDPCLYFO-LJQANCHMSA-N 2 0 301.478 2.600 20 0 DFADRP CN1CC[NH+](CCCC[NH2+][C@H]2CCc3cc(Cl)ccc32)CC1 ZINC000154426212 295299840 /nfs/dbraw/zinc/29/98/40/295299840.db2.gz KPSOCHMYAIZGAU-SFHVURJKSA-N 2 0 321.896 2.945 20 0 DFADRP CCc1ccc([C@H](C)[NH2+]CCCC[NH+]2CCN(C)CC2)s1 ZINC000154437334 295300540 /nfs/dbraw/zinc/30/05/40/295300540.db2.gz XFYWYQGHDWUTHY-HNNXBMFYSA-N 2 0 309.523 2.989 20 0 DFADRP C[C@@H](CN1CC[NH+](C)CC1)[NH2+][C@@H]1CCSc2ccc(F)cc21 ZINC000154887586 295308570 /nfs/dbraw/zinc/30/85/70/295308570.db2.gz MBWBHWCYISMVNB-XJKSGUPXSA-N 2 0 323.481 2.588 20 0 DFADRP CC[NH+]1CCN([C@@H](C)C[NH2+][C@H](C)c2cc(C)cc(C)c2)CC1 ZINC000155558080 295320728 /nfs/dbraw/zinc/32/07/28/295320728.db2.gz VLLPBQCVJAOKGT-ZWKOTPCHSA-N 2 0 303.494 2.980 20 0 DFADRP CC[NH+]1CCN([C@@H](C)C[NH2+][C@@H](C)c2cc(C)cc(C)c2)CC1 ZINC000155557845 295320924 /nfs/dbraw/zinc/32/09/24/295320924.db2.gz VLLPBQCVJAOKGT-ROUUACIJSA-N 2 0 303.494 2.980 20 0 DFADRP C[C@@H]([NH2+][C@H]1CCN(C2CC[NH+](C)CC2)C1)c1cccc(F)c1F ZINC000378449521 295477860 /nfs/dbraw/zinc/47/78/60/295477860.db2.gz GCHJZUYCGOIQNV-KGLIPLIRSA-N 2 0 323.431 2.784 20 0 DFADRP Cc1occc1C[NH2+]CC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000397553394 295487955 /nfs/dbraw/zinc/48/79/55/295487955.db2.gz HBBFUWJXUIHXKH-UHFFFAOYSA-N 2 0 314.429 2.705 20 0 DFADRP Clc1cc(C[NH2+]C[C@@H]2CC[NH2+]C2)ccc1Br ZINC000398389034 295490368 /nfs/dbraw/zinc/49/03/68/295490368.db2.gz YOUPXCPOCCWHRW-SNVBAGLBSA-N 2 0 303.631 2.802 20 0 DFADRP CC[NH+]1CCC(NC(=O)C[NH2+][C@@H]2C[C@@H](C)CC[C@H]2C(C)C)CC1 ZINC000411484319 295542110 /nfs/dbraw/zinc/54/21/10/295542110.db2.gz DTCBQAXUQCAOJV-RYQLBKOJSA-N 2 0 323.525 2.637 20 0 DFADRP CCCC[C@@H]1CCC[C@H]1[NH2+]CC(=O)NC1CC[NH+](C(C)C)CC1 ZINC000411524043 295544384 /nfs/dbraw/zinc/54/43/84/295544384.db2.gz ZKDDWFMDMQFSKP-SJLPKXTDSA-N 2 0 323.525 2.924 20 0 DFADRP CSC1(C[NH2+][C@@H](C)c2cnc(C)nc2C)CC[NH+](C)CC1 ZINC000353623214 295582453 /nfs/dbraw/zinc/58/24/53/295582453.db2.gz AQUUBYHUAJSQON-LBPRGKRZSA-N 2 0 308.495 2.571 20 0 DFADRP CC1CC[NH+](C[C@H](O)C[NH2+][C@H]2CCC[C@@H](C(F)(F)F)C2)CC1 ZINC000438212668 297084809 /nfs/dbraw/zinc/08/48/09/297084809.db2.gz XOGBFKLXMSQVJP-QLFBSQMISA-N 2 0 322.415 2.790 20 0 DFADRP C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)[C@@H]1CCC[NH+]1C1CCCC1 ZINC000438565167 297099224 /nfs/dbraw/zinc/09/92/24/297099224.db2.gz BTJJCDXAAYPDOG-NUJGCVRESA-N 2 0 321.509 2.630 20 0 DFADRP COc1cc(NC(C)=O)ccc1[C@@H](C)[NH2+]CC1CC[NH+](C)CC1 ZINC000438997944 297111078 /nfs/dbraw/zinc/11/10/78/297111078.db2.gz SGSRXTNUCDTDGU-CYBMUJFWSA-N 2 0 319.449 2.646 20 0 DFADRP CC[C@@H](C(=O)NC[C@H]1CCCC[N@@H+]1CC(C)C)[NH+](CC)CC ZINC000439701299 297135717 /nfs/dbraw/zinc/13/57/17/297135717.db2.gz JKOQOQRBADGZOZ-SJORKVTESA-N 2 0 311.514 2.734 20 0 DFADRP CCc1cccc(F)c1C[NH2+]CCN1CC[N@H+](C)C(C)(C)C1 ZINC000441351346 297180430 /nfs/dbraw/zinc/18/04/30/297180430.db2.gz CWIUOWAUYFAKOH-UHFFFAOYSA-N 2 0 307.457 2.504 20 0 DFADRP C[C@@H]([NH2+]CCN1CC[N@H+](C)C(C)(C)C1)c1cc(F)cc(F)c1 ZINC000442879539 297208973 /nfs/dbraw/zinc/20/89/73/297208973.db2.gz WOVZECUBBDLPCJ-CYBMUJFWSA-N 2 0 311.420 2.641 20 0 DFADRP CC[N@@H+]1CC[C@@H](N(C)Cc2cc(C(F)(F)F)n[nH]2)C[C@@H]1C ZINC000442886841 297209434 /nfs/dbraw/zinc/20/94/34/297209434.db2.gz UURYXDUCVVHQRL-CMPLNLGQSA-N 2 0 304.360 2.733 20 0 DFADRP COc1ccc(C[N@@H+]2CCC[C@@H](CC[NH3+])C2)c(OC(F)F)c1 ZINC000442921320 297211198 /nfs/dbraw/zinc/21/11/98/297211198.db2.gz IQEUKMGSBLXCER-LBPRGKRZSA-N 2 0 314.376 2.857 20 0 DFADRP CC(C)CNC(=O)c1cccc(C[N@@H+]2CCC[C@@H](CC[NH3+])C2)c1 ZINC000443059918 297213731 /nfs/dbraw/zinc/21/37/31/297213731.db2.gz NYKGPKUAPYITMN-INIZCTEOSA-N 2 0 317.477 2.633 20 0 DFADRP [NH3+]CC[C@@H]1CCC[N@H+](CC(=O)Nc2cccc3ccccc32)C1 ZINC000443062682 297214216 /nfs/dbraw/zinc/21/42/16/297214216.db2.gz UYYAUDKEJCPWAV-HNNXBMFYSA-N 2 0 311.429 2.839 20 0 DFADRP CSc1cccc(NC(=O)[C@H](C)[N@@H+]2CCC[C@H](CC[NH3+])C2)c1 ZINC000443063101 297214511 /nfs/dbraw/zinc/21/45/11/297214511.db2.gz VVALHKWDBHDXMJ-UONOGXRCSA-N 2 0 321.490 2.796 20 0 DFADRP CC1=CCC[C@@H](C)[C@H]1C[NH2+][C@@H](CC(C)C)C(=O)NCC[NH+](C)C ZINC000443640680 297223639 /nfs/dbraw/zinc/22/36/39/297223639.db2.gz NVARDICWMHIMRZ-SQNIBIBYSA-N 2 0 323.525 2.661 20 0 DFADRP CC[NH+]1CCC(N2CCC[N@H+](Cc3ccc(C)cc3)CC2)CC1 ZINC000445512104 297262227 /nfs/dbraw/zinc/26/22/27/297262227.db2.gz HOBSOJVZJPXORD-UHFFFAOYSA-N 2 0 315.505 2.987 20 0 DFADRP CC(C)n1ccc(C[C@@H](C)[NH2+]CC2CC[NH+](C3CC3)CC2)n1 ZINC000446883361 297289214 /nfs/dbraw/zinc/28/92/14/297289214.db2.gz GKUWUCWWEKZJIM-OAHLLOKOSA-N 2 0 304.482 2.859 20 0 DFADRP C[C@H](CC(=O)N1CCCCCC1)[NH2+]CC1CC[NH+](C2CC2)CC1 ZINC000446885428 297289632 /nfs/dbraw/zinc/28/96/32/297289632.db2.gz VKSULWMURWNEKC-MRXNPFEDSA-N 2 0 321.509 2.632 20 0 DFADRP C[C@H]1CC2(CCC2)C[NH+]1CC(O)C[N@H+]1CC2(CCC2)C[C@@H]1C ZINC000447323778 297301022 /nfs/dbraw/zinc/30/10/22/297301022.db2.gz LAWNSNXMTWDDLE-HOTGVXAUSA-N 2 0 306.494 2.876 20 0 DFADRP C[C@@](O)(C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)C1CC1 ZINC000447536293 297307353 /nfs/dbraw/zinc/30/73/53/297307353.db2.gz MFRZZNZQDSDZRE-YSTOQKLRSA-N 2 0 314.473 2.933 20 0 DFADRP C[NH+](C)CCOCC[NH2+][C@@H]1CCC[C@@H]1CCc1ccccc1 ZINC000447603962 297310729 /nfs/dbraw/zinc/31/07/29/297310729.db2.gz XZQOOQPRAICZRL-RTBURBONSA-N 2 0 304.478 2.956 20 0 DFADRP C[C@@H](CC[NH2+]C[C@H](O)C[NH+]1CCC(C)CC1)c1ccccc1 ZINC000447822091 297318878 /nfs/dbraw/zinc/31/88/78/297318878.db2.gz PAOAXNRWQDXVQR-HKUYNNGSSA-N 2 0 304.478 2.863 20 0 DFADRP C[NH+](C)CCN1CCC([NH2+]Cc2ncc(C(C)(C)C)s2)CC1 ZINC000447934715 297326150 /nfs/dbraw/zinc/32/61/50/297326150.db2.gz ALDAEYLSXQPGHE-UHFFFAOYSA-N 2 0 324.538 2.556 20 0 DFADRP CCCC[N@@H+]1CCCC[C@H]1CNC(=O)C[C@@H]([NH3+])c1ccccc1 ZINC000448241963 297335795 /nfs/dbraw/zinc/33/57/95/297335795.db2.gz PETLTVKEKJJKBN-ZWKOTPCHSA-N 2 0 317.477 2.847 20 0 DFADRP C[NH+](C)Cc1ccc(-c2noc(C[C@H]3CCCC[C@H]3[NH3+])n2)cc1 ZINC000448546876 297341969 /nfs/dbraw/zinc/34/19/69/297341969.db2.gz OUAMUIOYPLDKLS-HZPDHXFCSA-N 2 0 314.433 2.858 20 0 DFADRP C[NH2+][C@@H](CC(C)(C)C)C(=O)NC[C@H](c1cccc(F)c1)[NH+](C)C ZINC000449064604 297399410 /nfs/dbraw/zinc/39/94/10/297399410.db2.gz VHVOKNAFFCJTNC-JKSUJKDBSA-N 2 0 323.456 2.569 20 0 DFADRP CC[C@@](C)(O)C[NH2+]C1CC[NH+]([C@H](C)Cc2ccccc2)CC1 ZINC000449073602 297401155 /nfs/dbraw/zinc/40/11/55/297401155.db2.gz SHCXEKMOYDBQLV-VQIMIIECSA-N 2 0 304.478 2.833 20 0 DFADRP CCC[NH2+][C@@H](C)C(=O)NC1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000449122769 297409090 /nfs/dbraw/zinc/40/90/90/297409090.db2.gz AKFLJDYJKYNOQD-HOTGVXAUSA-N 2 0 317.477 2.716 20 0 DFADRP C[NH+]1CCC(C[NH2+]Cc2ccc3c(c2)OCCCCO3)CC1 ZINC000449133401 297410561 /nfs/dbraw/zinc/41/05/61/297410561.db2.gz YHWQIPPXPKIQPG-UHFFFAOYSA-N 2 0 304.434 2.669 20 0 DFADRP C[C@@H](CNC1CC[NH+]([C@@H](C)Cc2ccccc2)CC1)[NH+](C)C ZINC000449228170 297425883 /nfs/dbraw/zinc/42/58/83/297425883.db2.gz XREOXJBQZOONQW-IRXDYDNUSA-N 2 0 303.494 2.622 20 0 DFADRP [NH3+][C@H]1CCCC[C@H]1CC(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000449367436 297454825 /nfs/dbraw/zinc/45/48/25/297454825.db2.gz WEYOLAJTQZETRE-YJBOKZPZSA-N 2 0 321.509 2.807 20 0 DFADRP CC[NH+]1CCN(CC(C)(C)[NH2+]Cc2cc(C)c(O)c(C)c2)CC1 ZINC000449743979 297524463 /nfs/dbraw/zinc/52/44/63/297524463.db2.gz CSTRPTPFBWFSRL-UHFFFAOYSA-N 2 0 319.493 2.515 20 0 DFADRP CC[NH+]1CCN(CC(C)(C)[NH2+]Cc2coc3ccccc23)CC1 ZINC000449747244 297525447 /nfs/dbraw/zinc/52/54/47/297525447.db2.gz WGRBQFKBJGGQMT-UHFFFAOYSA-N 2 0 315.461 2.939 20 0 DFADRP CC[NH+]1CCN(CC(C)(C)[NH2+]CCCCC(F)(F)F)CC1 ZINC000451978658 297908533 /nfs/dbraw/zinc/90/85/33/297908533.db2.gz FWKUGCNLSZBFKR-UHFFFAOYSA-N 2 0 309.420 2.725 20 0 DFADRP CC[C@@H](C[NH2+][C@H](C)Cc1cnccn1)N1CCc2ccccc2C1 ZINC000453084706 298060360 /nfs/dbraw/zinc/06/03/60/298060360.db2.gz WMFQCOSGDNNTGO-UZLBHIALSA-N 2 0 324.472 2.834 20 0 DFADRP C[C@@H]1C[C@H]([NH2+][C@@H]2CCc3nc(C(C)(C)C)cn3C2)c2nccn21 ZINC000453092001 298061012 /nfs/dbraw/zinc/06/10/12/298061012.db2.gz RYLQJUDXFZOWJL-MCIONIFRSA-N 2 0 313.449 2.988 20 0 DFADRP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1[NH2+][C@H](C)Cc1cnccn1 ZINC000453142368 298066497 /nfs/dbraw/zinc/06/64/97/298066497.db2.gz ZERFHFWQNRJLJB-RYRKJORJSA-N 2 0 304.482 2.898 20 0 DFADRP CC[C@@H]([NH2+]Cc1ccncc1OCC[NH+](C)C)c1ccncc1 ZINC000453212680 298071143 /nfs/dbraw/zinc/07/11/43/298071143.db2.gz CLFSVILVOSGNLG-QGZVFWFLSA-N 2 0 314.433 2.658 20 0 DFADRP C[C@H](Cc1cnccn1)[NH2+]C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000453217534 298072684 /nfs/dbraw/zinc/07/26/84/298072684.db2.gz LWROHUVSMFCMQZ-SJLPKXTDSA-N 2 0 310.445 2.519 20 0 DFADRP CO[C@H](C[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@@H]21)Cc1ccccc1 ZINC000453268239 298078793 /nfs/dbraw/zinc/07/87/93/298078793.db2.gz NTTYWVTYVNWTJK-WJFTUGDTSA-N 2 0 302.462 2.707 20 0 DFADRP C[C@H]([NH2+]CC1=CCOCC1)c1ccc(OCC[NH+](C)C)cc1 ZINC000453285636 298080483 /nfs/dbraw/zinc/08/04/83/298080483.db2.gz JXECPSYIHQDFLT-HNNXBMFYSA-N 2 0 304.434 2.624 20 0 DFADRP C[C@H](C(=O)N1CC[C@H](C[NH+]2CCCCC2)C1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000253545347 298083177 /nfs/dbraw/zinc/08/31/77/298083177.db2.gz OPCJRHCYFFSIPJ-XMTFNYHQSA-N 2 0 321.509 2.582 20 0 DFADRP CC[C@H]([NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)[C@H](C)O ZINC000453334797 298084217 /nfs/dbraw/zinc/08/42/17/298084217.db2.gz JVQXCXCFCAMZFR-UJCHZGTJSA-N 2 0 302.462 2.931 20 0 DFADRP C[N@@H+]1CC[C@H]([NH2+][C@@H]2CCO[C@H](c3ccncc3)C2)[C@H]2CCC[C@H]21 ZINC000453335012 298084377 /nfs/dbraw/zinc/08/43/77/298084377.db2.gz FEISPFPRYZCSIK-FQBWVUSXSA-N 2 0 315.461 2.764 20 0 DFADRP O[C@H]1C[C@@H]([NH2+][C@@H]2CCCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)C1 ZINC000453350767 298086027 /nfs/dbraw/zinc/08/60/27/298086027.db2.gz FDGIVFKIWFECLX-OUUBHVDSSA-N 2 0 314.473 2.790 20 0 DFADRP O[C@H]1C[C@@H]([NH2+][C@@H]2CCCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)C1 ZINC000453350769 298086084 /nfs/dbraw/zinc/08/60/84/298086084.db2.gz FDGIVFKIWFECLX-UHZRXMQZSA-N 2 0 314.473 2.790 20 0 DFADRP O[C@@H](C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)C1CCC1 ZINC000453389506 298089227 /nfs/dbraw/zinc/08/92/27/298089227.db2.gz RKDZAJIEBFIQOG-YRPNKDGESA-N 2 0 314.473 2.933 20 0 DFADRP CCC1(C[NH2+][C@@H](C)c2cccc(OCC[NH+](C)C)c2)COC1 ZINC000453390509 298089480 /nfs/dbraw/zinc/08/94/80/298089480.db2.gz YCYFSMNSTOWZMD-HNNXBMFYSA-N 2 0 306.450 2.704 20 0 DFADRP CC[N@@H+]1CC[C@H]([NH2+][C@@H](CO)Cc2ccc(C)c(C)c2)[C@@H](C)C1 ZINC000453411338 298091633 /nfs/dbraw/zinc/09/16/33/298091633.db2.gz AKEGPDLRVWXVPZ-UHOSZYNNSA-N 2 0 304.478 2.527 20 0 DFADRP C[C@@H]1CN(Cc2ccccc2)C[C@H]1[NH2+]CCCC[N@H+](C)C1CC1 ZINC000453420633 298093237 /nfs/dbraw/zinc/09/32/37/298093237.db2.gz ZREBHUVFONWHBQ-YLJYHZDGSA-N 2 0 315.505 2.971 20 0 DFADRP CC[C@H](N[C@@H]1CCC[NH2+]C1)[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000496067055 300014737 /nfs/dbraw/zinc/01/47/37/300014737.db2.gz GGFITEWEZFRBJL-QLFBSQMISA-N 2 0 311.470 2.506 20 0 DFADRP COC(=O)Nc1ccc(CC[NH2+]C2CCC(C[NH3+])CC2)cc1 ZINC000496243068 300035172 /nfs/dbraw/zinc/03/51/72/300035172.db2.gz FRZXWPWUQVRKSS-UHFFFAOYSA-N 2 0 305.422 2.515 20 0 DFADRP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)c1cccc(N2CCOC2=O)c1 ZINC000496635556 300091038 /nfs/dbraw/zinc/09/10/38/300091038.db2.gz FAYFQECDHGXKDY-NTQSIJHJSA-N 2 0 315.417 2.577 20 0 DFADRP C[C@H]([NH2+][C@@H]1CCCC[C@@H]1C[NH3+])c1cccc(N2CCOC2=O)c1 ZINC000496972115 300140393 /nfs/dbraw/zinc/14/03/93/300140393.db2.gz BFSXHUBLADMNDM-YSVLISHTSA-N 2 0 317.433 2.811 20 0 DFADRP CC(C)[C@H]([NH3+])C[NH2+][C@@H]1CCCN(C(=O)Oc2ccccc2)CC1 ZINC000497125243 300165573 /nfs/dbraw/zinc/16/55/73/300165573.db2.gz DUSOXMMOXZQUML-NVXWUHKLSA-N 2 0 319.449 2.613 20 0 DFADRP C[C@@H]1C[C@@H](CC[NH2+]Cc2ccnn2C)C[N@@H+]1Cc1ccccc1 ZINC000513493592 300258051 /nfs/dbraw/zinc/25/80/51/300258051.db2.gz BNXFQEUTLLGBTN-SJLPKXTDSA-N 2 0 312.461 2.810 20 0 DFADRP FC(F)(F)CN1CC[C@H]([NH2+][C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)C1 ZINC000515053401 300287119 /nfs/dbraw/zinc/28/71/19/300287119.db2.gz YBQXGQGBKKWNDA-BYNSBNAKSA-N 2 0 319.415 2.523 20 0 DFADRP O=C(Nc1ccc(C[NH2+][C@@H]2CCC[NH2+]CC2)cc1)c1cccnc1 ZINC000515413341 300305401 /nfs/dbraw/zinc/30/54/01/300305401.db2.gz SOLCUCIAUCRMRV-QGZVFWFLSA-N 2 0 324.428 2.566 20 0 DFADRP C[C@@H]([NH2+]C[C@@H]1CCC[NH2+]C1)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000515483335 300309358 /nfs/dbraw/zinc/30/93/58/300309358.db2.gz OHIUYURNFYAKOF-CHWSQXEVSA-N 2 0 301.434 2.567 20 0 DFADRP C[N@@H+]1CCC[C@H](CNC(=O)CC[C@H]([NH3+])CC2CCCCC2)C1 ZINC000515654472 300317050 /nfs/dbraw/zinc/31/70/50/300317050.db2.gz SUGSTEDGBWPAJG-SJORKVTESA-N 2 0 309.498 2.522 20 0 DFADRP [NH3+]C1C[C@H]2CCC[C@@H](C1)C2[NH2+]Cc1ccn(-c2ccccc2)n1 ZINC000516258161 300337410 /nfs/dbraw/zinc/33/74/10/300337410.db2.gz SFQYFHNHABHLAR-JOUKPKRSSA-N 2 0 310.445 2.868 20 0 DFADRP C[C@H]([NH2+]CCC[C@@H]1CCC[NH2+]1)c1ccc2c(c1)CCC(=O)N2 ZINC000517024163 300377910 /nfs/dbraw/zinc/37/79/10/300377910.db2.gz KUTSRASCAOSPEB-XJKSGUPXSA-N 2 0 301.434 2.754 20 0 DFADRP CC1CC[NH+](C2CCC([NH2+]C[C@@H](O)CC(F)(F)F)CC2)CC1 ZINC000517555890 300399283 /nfs/dbraw/zinc/39/92/83/300399283.db2.gz ATRSWDUYWNFBKI-NRXISQOPSA-N 2 0 322.415 2.932 20 0 DFADRP [NH3+][C@H]1CCC[C@@H](C[NH2+]Cc2ccc(Cl)cc2-n2cncn2)C1 ZINC000520368430 300494015 /nfs/dbraw/zinc/49/40/15/300494015.db2.gz WLIDPUVELKHXKQ-DOMZBBRYSA-N 2 0 319.840 2.528 20 0 DFADRP CC[NH+](CC)CCOC1CC[NH+](Cc2ccncc2C)CC1 ZINC000521187142 300519529 /nfs/dbraw/zinc/51/95/29/300519529.db2.gz VGQDWWCHZLNKCU-UHFFFAOYSA-N 2 0 305.466 2.713 20 0 DFADRP Cc1cccc([C@H]([NH2+][C@H](C)CN2CC[NH+](C)CC2)C(C)C)c1 ZINC000527859248 300702688 /nfs/dbraw/zinc/70/26/88/300702688.db2.gz OOBIAEKUENIVLO-IEBWSBKVSA-N 2 0 303.494 2.918 20 0 DFADRP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1[NH2+]CC1CCc2ccccc2CC1 ZINC000530214329 301029363 /nfs/dbraw/zinc/02/93/63/301029363.db2.gz XTMXYTPVEVKOLO-JVPBZIDWSA-N 2 0 302.462 2.524 20 0 DFADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]Cc1ccc2cn(C)nc2c1 ZINC000530216690 301030286 /nfs/dbraw/zinc/03/02/86/301030286.db2.gz CEDIALKKYSFCLS-LBPRGKRZSA-N 2 0 309.417 2.586 20 0 DFADRP C[C@@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]Cc1ccc2cn(C)nc2c1 ZINC000530219748 301031261 /nfs/dbraw/zinc/03/12/61/301031261.db2.gz QEKRKRBRDSWKEG-YOEHRIQHSA-N 2 0 300.450 2.974 20 0 DFADRP Clc1ccccc1C[NH+]1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000530238491 301033520 /nfs/dbraw/zinc/03/35/20/301033520.db2.gz OBQHMUHVSGJMRF-INIZCTEOSA-N 2 0 308.853 2.931 20 0 DFADRP Cc1cc(C[NH+]2CCC(CO[C@H]3CC[NH2+]C3)CC2)ccc1F ZINC000530248644 301033813 /nfs/dbraw/zinc/03/38/13/301033813.db2.gz NOWWSBPROOWLNK-KRWDZBQOSA-N 2 0 306.425 2.725 20 0 DFADRP C[C@H](C[NH+]1CCC(CO[C@H]2CC[NH2+]C2)CC1)c1ccccc1 ZINC000530249790 301034013 /nfs/dbraw/zinc/03/40/13/301034013.db2.gz YVZOHXQANBZJLD-APWZRJJASA-N 2 0 302.462 2.881 20 0 DFADRP CC[NH+]1CCN([C@@H](C)C[NH2+][C@H](C)c2ccc(C)cc2OC)CC1 ZINC000531946424 301120332 /nfs/dbraw/zinc/12/03/32/301120332.db2.gz PDZVHUITDYJBED-DLBZAZTESA-N 2 0 319.493 2.680 20 0 DFADRP CC[NH+]1CCN([C@H](C)C[NH2+][C@@H](C)c2ccc(C)cc2OC)CC1 ZINC000531946427 301120357 /nfs/dbraw/zinc/12/03/57/301120357.db2.gz PDZVHUITDYJBED-SJORKVTESA-N 2 0 319.493 2.680 20 0 DFADRP CC[C@H]([NH2+]Cc1cccc(OCC[NH+](C)C)c1)C1CCOCC1 ZINC000531955665 301120961 /nfs/dbraw/zinc/12/09/61/301120961.db2.gz PNSHPANUZKMLCS-IBGZPJMESA-N 2 0 320.477 2.922 20 0 DFADRP C[C@@H]([NH2+]CCC1CC[NH+](C)CC1)c1ccc2c(c1)CCC(=O)N2 ZINC000531958021 301121280 /nfs/dbraw/zinc/12/12/80/301121280.db2.gz PGYZDSLRPKUKTN-CQSZACIVSA-N 2 0 315.461 2.954 20 0 DFADRP C[C@H](C[NH2+][C@@H]1CCc2c1cccc2Cl)N1CC[NH+](C)CC1 ZINC000531959588 301121509 /nfs/dbraw/zinc/12/15/09/301121509.db2.gz OCHFJCSKOILXQS-CXAGYDPISA-N 2 0 307.869 2.553 20 0 DFADRP C[C@H]1CCCCN1CC[NH2+]C1CCC(O)(C(F)(F)F)CC1 ZINC000532202668 301136386 /nfs/dbraw/zinc/13/63/86/301136386.db2.gz VMQDDCXGFNWHMX-HSBZDZAISA-N 2 0 308.388 2.686 20 0 DFADRP CC[C@@H]1CCC[C@@H]1[NH2+]Cc1cccc(C(=O)NCC[NH+](C)C)c1 ZINC000532221122 301137349 /nfs/dbraw/zinc/13/73/49/301137349.db2.gz RZAWPSLVNQPRAK-AEFFLSMTSA-N 2 0 317.477 2.646 20 0 DFADRP C[C@@H]1CC[N@H+](CCN[C@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C)C1 ZINC000532239218 301138996 /nfs/dbraw/zinc/13/89/96/301138996.db2.gz KDTJTYWPHZOBOG-HBFSDRIKSA-N 2 0 315.505 2.828 20 0 DFADRP CC[N@H+](CC(=O)NC[C@@H](c1ccc(Cl)cc1)[NH+](C)C)C1CC1 ZINC000533089852 301185560 /nfs/dbraw/zinc/18/55/60/301185560.db2.gz DVZOAXDMUDASTD-INIZCTEOSA-N 2 0 323.868 2.543 20 0 DFADRP C[C@H](C[NH2+][C@H](C)c1ccc(Cl)c(F)c1)N1CC[NH+](C)CC1 ZINC000535066155 301246772 /nfs/dbraw/zinc/24/67/72/301246772.db2.gz DYFIPQPFPMITIU-CHWSQXEVSA-N 2 0 313.848 2.766 20 0 DFADRP CC(C)[N@H+](C)CC1CC[NH+](Cc2cccc3c2OCO3)CC1 ZINC000535083227 301248426 /nfs/dbraw/zinc/24/84/26/301248426.db2.gz OJPPIIPXGISIJZ-UHFFFAOYSA-N 2 0 304.434 2.968 20 0 DFADRP CCc1ccc(C[N@H+](C)CC2CC[NH+](C[C@H](C)O)CC2)s1 ZINC000535085987 301248582 /nfs/dbraw/zinc/24/85/82/301248582.db2.gz DLLHHOPUCPIHIB-AWEZNQCLSA-N 2 0 310.507 2.835 20 0 DFADRP CO[C@H](C)c1nc(CN2CC[C@H](c3nccn3C)C2)cs1 ZINC000537705817 301308745 /nfs/dbraw/zinc/30/87/45/301308745.db2.gz IKILJCZPIYTCJP-NEPJUHHUSA-N 2 0 306.435 2.574 20 0 DFADRP O[C@H]1CCC[C@H]1[NH+]1CCC([NH2+]C2C3CC4CC(C3)CC2C4)CC1 ZINC000539059794 301337425 /nfs/dbraw/zinc/33/74/25/301337425.db2.gz ZNMYVIKELUBYJQ-AJEQOJCNSA-N 2 0 318.505 2.779 20 0 DFADRP CC[N@@H+]1CC[C@@H](Nc2cccc(OCC[NH+](C)C)c2)[C@@H](C)C1 ZINC000540839559 301370425 /nfs/dbraw/zinc/37/04/25/301370425.db2.gz WEIWJICMRSHRMX-MAUKXSAKSA-N 2 0 305.466 2.769 20 0 DFADRP CC[N@@H+]1CC[C@H](Nc2cccc(OCC[NH+](C)C)c2)[C@@H](C)C1 ZINC000540839562 301370563 /nfs/dbraw/zinc/37/05/63/301370563.db2.gz WEIWJICMRSHRMX-YJBOKZPZSA-N 2 0 305.466 2.769 20 0 DFADRP c1cc(N2CCC(C[NH2+][C@H]3CCC34CCOCC4)CC2)cc[nH+]1 ZINC000548793514 301614773 /nfs/dbraw/zinc/61/47/73/301614773.db2.gz FOWLBWYVKNAHDV-SFHVURJKSA-N 2 0 315.461 2.847 20 0 DFADRP C[C@@H]([NH2+]C(C)(C)CNC(=O)CCCC[NH+](C)C)c1ccccc1 ZINC000554006019 301724230 /nfs/dbraw/zinc/72/42/30/301724230.db2.gz BANWJERNUIEEBV-MRXNPFEDSA-N 2 0 319.493 2.964 20 0 DFADRP COc1ccc([C@@H](C[NH3+])C[NH2+][C@@H]2CCCC23CCOCC3)cc1 ZINC000562838157 302007831 /nfs/dbraw/zinc/00/78/31/302007831.db2.gz ASHAVDSSXZPFLW-FUHWJXTLSA-N 2 0 318.461 2.676 20 0 DFADRP C[C@@H]1C[C@H](C)N(Cc2cnc([C@H]3CCCO3)s2)C[C@H]1C[NH3+] ZINC000562955488 302017457 /nfs/dbraw/zinc/01/74/57/302017457.db2.gz YWEIYDIEUJCHKP-QVHKTLOISA-N 2 0 309.479 2.800 20 0 DFADRP C[NH+](C)CC1(C[NH2+]CCC(=O)Nc2cccc(F)c2)CCCC1 ZINC000563013342 302026253 /nfs/dbraw/zinc/02/62/53/302026253.db2.gz IYFVTTNECZQVAX-UHFFFAOYSA-N 2 0 321.440 2.866 20 0 DFADRP CC(C)C[C@H](CNC(=O)[C@H]([NH3+])C(C)C)[NH2+][C@@H](C)c1ccccc1 ZINC000563074925 302034510 /nfs/dbraw/zinc/03/45/10/302034510.db2.gz UOEPXNHVGOJHRU-CGTJXYLNSA-N 2 0 319.493 2.851 20 0 DFADRP CCC[C@@H]1CCCC[C@H]1[NH2+]CC(=O)NC1CC[NH+](C(C)C)CC1 ZINC000563223772 302052011 /nfs/dbraw/zinc/05/20/11/302052011.db2.gz GJFVJBSKGQBMOX-SJLPKXTDSA-N 2 0 323.525 2.924 20 0 DFADRP CC[NH+]1CCN(c2ccc(N[C@@H]3CCC[C@@H]([NH3+])C3)c(C)c2)CC1 ZINC000563425023 302071741 /nfs/dbraw/zinc/07/17/41/302071741.db2.gz ODYXVDSKGFRIBH-IAGOWNOFSA-N 2 0 316.493 2.819 20 0 DFADRP O[C@@H](C[NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1)Cc1ccc2ccccc2c1 ZINC000563528790 302079887 /nfs/dbraw/zinc/07/98/87/302079887.db2.gz GOZHUDNBCLYIEU-LAUBAEHRSA-N 2 0 324.468 2.817 20 0 DFADRP C[C@@H]([NH2+]CCCC[NH+]1CCN(C)CC1)[C@@H]1C[C@H]1c1cccs1 ZINC000563571521 302083577 /nfs/dbraw/zinc/08/35/77/302083577.db2.gz BSZQWQNIBFBCIU-IXDOHACOSA-N 2 0 321.534 2.857 20 0 DFADRP CC[NH2+]Cc1cccc(NC(=O)C[C@@H]([NH3+])Cc2ccccc2)c1 ZINC000563583143 302084334 /nfs/dbraw/zinc/08/43/34/302084334.db2.gz UYLFBKXZVULNCO-KRWDZBQOSA-N 2 0 311.429 2.695 20 0 DFADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+]Cc1cnc2ccc(Cl)cn12 ZINC000563607416 302086991 /nfs/dbraw/zinc/08/69/91/302086991.db2.gz JGRPOLJEGMJVQZ-MTICYGMRSA-N 2 0 304.825 2.593 20 0 DFADRP c1ccc(-c2nnc([C@H]3CCC[N@H+]3CC[C@@H]3CC[NH2+]C3)[nH]2)cc1 ZINC000563670164 302091633 /nfs/dbraw/zinc/09/16/33/302091633.db2.gz LXRUMGCBGOGBCI-GOEBONIOSA-N 2 0 311.433 2.608 20 0 DFADRP CC[NH2+]CCC[NH2+][C@@H](Cc1ccncc1)c1ccc(OC)cc1 ZINC000563950996 302110622 /nfs/dbraw/zinc/11/06/22/302110622.db2.gz DMGHRBZQGMYCKV-IBGZPJMESA-N 2 0 313.445 2.963 20 0 DFADRP CC(C)[N@H+](C)Cc1ccccc1C[NH2+]C[C@](C)(O)C(F)(F)F ZINC000564076638 302117418 /nfs/dbraw/zinc/11/74/18/302117418.db2.gz FFOOLYVYPDHGCK-HNNXBMFYSA-N 2 0 318.383 2.930 20 0 DFADRP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(Cc2ncccc2O)C1 ZINC000564612424 302144280 /nfs/dbraw/zinc/14/42/80/302144280.db2.gz PXTJBOXVZRMXAQ-CVEARBPZSA-N 2 0 303.450 2.874 20 0 DFADRP C[C@H]([NH2+]C1CCN([C@@H](C)c2ccncc2)CC1)[C@H]1CCC[NH2+]C1 ZINC000564714015 302152617 /nfs/dbraw/zinc/15/26/17/302152617.db2.gz RRXRVYBJXYNWJB-BQFCYCMXSA-N 2 0 316.493 2.585 20 0 DFADRP CSc1ccc2c(c1)[C@H]([NH2+]CC1(O)CC[NH+](C)CC1)CCC2 ZINC000564729372 302154267 /nfs/dbraw/zinc/15/42/67/302154267.db2.gz OOIKKTYFHWSOMG-QGZVFWFLSA-N 2 0 320.502 2.832 20 0 DFADRP Cc1noc(C[C@H]([NH2+]C2CCC([NH3+])CC2)c2ccccc2)n1 ZINC000564822613 302161148 /nfs/dbraw/zinc/16/11/48/302161148.db2.gz IPXLDCXONTVSCM-GPANFISMSA-N 2 0 300.406 2.521 20 0 DFADRP c1cc(CC[NH2+][C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)cc2c1OCO2 ZINC000564823542 302161230 /nfs/dbraw/zinc/16/12/30/302161230.db2.gz DLMUJDXMXAXGDD-GVDBMIGSSA-N 2 0 316.445 2.858 20 0 DFADRP C[C@@H]([NH2+][C@@H](C)c1ccc2c(c1)C(C)(C)C(=O)N2)[C@@H]1CCC[NH2+]C1 ZINC000564822588 302161343 /nfs/dbraw/zinc/16/13/43/302161343.db2.gz RIQPPOMQGXCCRP-GZBFAFLISA-N 2 0 315.461 2.955 20 0 DFADRP C[C@H]1CCC[N@H+](CCCC[NH2+]C[C@H](O)COc2ccccc2)C1 ZINC000564843764 302163171 /nfs/dbraw/zinc/16/31/71/302163171.db2.gz FRYWLDGOMMVLTO-ROUUACIJSA-N 2 0 320.477 2.528 20 0 DFADRP CC(C)OCC[C@H](O)C[NH2+]Cc1ccccc1C[NH+]1CCCC1 ZINC000564846348 302163461 /nfs/dbraw/zinc/16/34/61/302163461.db2.gz LZOMYDMPVZZHKI-IBGZPJMESA-N 2 0 320.477 2.548 20 0 DFADRP CC(C)C[N@@H+]1CCC[C@H](C[NH2+]CCC(=O)Nc2ccccc2)C1 ZINC000564851702 302164803 /nfs/dbraw/zinc/16/48/03/302164803.db2.gz FJFSMKPQTRVTIF-QGZVFWFLSA-N 2 0 317.477 2.973 20 0 DFADRP C[NH+](C)[C@@H]1CCC[C@@H]([NH2+]C[C@H](O)Cc2cccc(Cl)c2)C1 ZINC000565652545 302234977 /nfs/dbraw/zinc/23/49/77/302234977.db2.gz XAWWXKDXXRCADO-BRWVUGGUSA-N 2 0 310.869 2.706 20 0 DFADRP C[N@@H+]1CCC[C@@H](CC[NH2+]C[C@@H](O)Cc2cccc(Cl)c2)C1 ZINC000565770482 302241224 /nfs/dbraw/zinc/24/12/24/302241224.db2.gz WDUVVRBKTVNJBZ-YOEHRIQHSA-N 2 0 310.869 2.565 20 0 DFADRP C[NH+](C)CCCC(C)(C)NC(=O)Nc1cccc2c1CC[NH2+]C2 ZINC000565880692 302246336 /nfs/dbraw/zinc/24/63/36/302246336.db2.gz UDMLFPXJEZBRII-UHFFFAOYSA-N 2 0 318.465 2.574 20 0 DFADRP C[C@@H]1CCC[N@H+](Cc2ccccc2CNC(=O)CCCC[NH3+])C1 ZINC000566065972 302256493 /nfs/dbraw/zinc/25/64/93/302256493.db2.gz UQEFLUJVQNMQRE-MRXNPFEDSA-N 2 0 317.477 2.664 20 0 DFADRP O=C(CC[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1)NC1CCCCC1 ZINC000566089599 302258711 /nfs/dbraw/zinc/25/87/11/302258711.db2.gz VNWBWSQBECOQQW-KZNAEPCWSA-N 2 0 321.509 2.726 20 0 DFADRP O=C(CC[NH2+][C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1)NC1CCCCC1 ZINC000566089601 302258764 /nfs/dbraw/zinc/25/87/64/302258764.db2.gz VNWBWSQBECOQQW-RCCFBDPRSA-N 2 0 321.509 2.726 20 0 DFADRP Cc1cccc(CC[NH+]2CCC(OCC[NH+]3CCCC3)CC2)n1 ZINC000566155856 302263955 /nfs/dbraw/zinc/26/39/55/302263955.db2.gz LHYHQSWGDUQBMV-UHFFFAOYSA-N 2 0 317.477 2.509 20 0 DFADRP [NH3+]CCCCC(=O)NCc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000566170504 302265385 /nfs/dbraw/zinc/26/53/85/302265385.db2.gz GTPMHOXWVHQIRH-UHFFFAOYSA-N 2 0 317.477 2.808 20 0 DFADRP C[C@@H](Cc1ccccc1)[NH+]1CCC([NH2+][C@H]2CO[C@H](C)C2)CC1 ZINC000566219512 302267959 /nfs/dbraw/zinc/26/79/59/302267959.db2.gz DLKSJLPBRWWERZ-FRQCXROJSA-N 2 0 302.462 2.849 20 0 DFADRP C[C@@H](CNC(=O)CC[C@H]([NH3+])c1ccccc1)[N@@H+]1CCCC[C@H]1C ZINC000566289374 302274850 /nfs/dbraw/zinc/27/48/50/302274850.db2.gz STEWYZFSSRWLLT-RYRKJORJSA-N 2 0 317.477 2.846 20 0 DFADRP CC[N@@H+]1CC[C@@H](N(C)Cc2ccc3c(c2)C[NH2+]CC3)C[C@H]1C ZINC000566351698 302281464 /nfs/dbraw/zinc/28/14/64/302281464.db2.gz YAMAHHAKOHMJNS-DNVCBOLYSA-N 2 0 301.478 2.637 20 0 DFADRP CC[C@H](c1ccccc1)[C@H]1CCC[N@@H+]1C[C@@H](O)C[NH+](C)CC ZINC000566686172 302304329 /nfs/dbraw/zinc/30/43/29/302304329.db2.gz BYTSJAYJMCEJBX-IPMKNSEASA-N 2 0 304.478 2.957 20 0 DFADRP C[N@H+](CCC[NH2+]C[C@H](O)Cc1ccc(F)cc1)C1CCCCC1 ZINC000566720544 302306309 /nfs/dbraw/zinc/30/63/09/302306309.db2.gz NFHGBUTWBLVIKF-LJQANCHMSA-N 2 0 322.468 2.973 20 0 DFADRP CC(C)(C)CC(=O)N1CCC([NH2+]Cc2ccc(C[NH3+])cc2)CC1 ZINC000566915638 302322248 /nfs/dbraw/zinc/32/22/48/302322248.db2.gz KRSJDARQPYZXKQ-UHFFFAOYSA-N 2 0 317.477 2.662 20 0 DFADRP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]Cc1cccc(NC(=O)c2ccccn2)c1 ZINC000566967962 302325964 /nfs/dbraw/zinc/32/59/64/302325964.db2.gz ZUYYMSHZKQSNPG-RDJZCZTQSA-N 2 0 324.428 2.551 20 0 DFADRP C[NH2+]Cc1ccccc1NC(=O)N[C@H](C)C[NH+]1CCC(C)CC1 ZINC000567063074 302333174 /nfs/dbraw/zinc/33/31/74/302333174.db2.gz NXVWFTXRGDKJJV-OAHLLOKOSA-N 2 0 318.465 2.648 20 0 DFADRP C[C@@H](CCN1CC[NH+](C)CC1)[NH2+]Cc1ncc(C(C)(C)C)s1 ZINC000567321714 302349066 /nfs/dbraw/zinc/34/90/66/302349066.db2.gz RDNWVVRJMVCKGS-AWEZNQCLSA-N 2 0 324.538 2.556 20 0 DFADRP CC(C)NC(=O)[C@@H]1CCC[C@H]([NH2+][C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)C1 ZINC000567641481 302376129 /nfs/dbraw/zinc/37/61/29/302376129.db2.gz BKHNWDRXGZTCGL-DISONHOPSA-N 2 0 321.509 2.580 20 0 DFADRP CCCCNC(=O)c1ccc(C[NH2+][C@@H](C)[C@@H]2CCC[NH2+]C2)cc1 ZINC000567648363 302376295 /nfs/dbraw/zinc/37/62/95/302376295.db2.gz DRBYFPBZRDOFOX-MAUKXSAKSA-N 2 0 317.477 2.694 20 0 DFADRP C[C@H]([NH2+]C(C)(C)CNC(=O)[C@@H]1CCCCC[NH2+]1)c1ccccc1 ZINC000567974129 302404766 /nfs/dbraw/zinc/40/47/66/302404766.db2.gz QKTFXDVINGKMEY-RDJZCZTQSA-N 2 0 317.477 2.764 20 0 DFADRP CCOc1c(OC)cc(C[NH+]2CCC(CC[NH3+])CC2)cc1OC ZINC000568007211 302408931 /nfs/dbraw/zinc/40/89/31/302408931.db2.gz CNFYBGAQPMNVCU-UHFFFAOYSA-N 2 0 322.449 2.663 20 0 DFADRP [NH3+][C@H]1CCC[C@@H]([NH2+]CCOc2ccc(Br)cc2)C1 ZINC000568247592 302435135 /nfs/dbraw/zinc/43/51/35/302435135.db2.gz QXNVIJJSYCGFRC-QWHCGFSZSA-N 2 0 313.239 2.687 20 0 DFADRP Cc1cc2cc(CN(CC[NH+](C)C)CC[NH+](C)C)oc2cc1C ZINC000569411162 302516439 /nfs/dbraw/zinc/51/64/39/302516439.db2.gz YEUMKCBKSWNANF-UHFFFAOYSA-N 2 0 317.477 2.975 20 0 DFADRP CC(C)C[C@@H](CNC(=O)[C@@H]([NH3+])C(C)C)[NH2+][C@@H](C)c1ccccc1 ZINC000570160029 302558797 /nfs/dbraw/zinc/55/87/97/302558797.db2.gz UOEPXNHVGOJHRU-SZMVWBNQSA-N 2 0 319.493 2.851 20 0 DFADRP Cc1cccc(NC(=O)C[C@@H](C)[NH2+]CCC2=CC[NH2+]CC2)c1 ZINC000571633526 302626045 /nfs/dbraw/zinc/62/60/45/302626045.db2.gz CRIOMIJIUMYNJD-OAHLLOKOSA-N 2 0 301.434 2.612 20 0 DFADRP COc1ccccc1OCC[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1 ZINC000571669401 302627801 /nfs/dbraw/zinc/62/78/01/302627801.db2.gz LCZSHEVNKFFNPA-IXDOHACOSA-N 2 0 318.461 2.974 20 0 DFADRP CC[NH+](CC)[C@H](CNC(=O)[C@H]1CCCCC[NH2+]1)c1ccsc1 ZINC000572123280 302644538 /nfs/dbraw/zinc/64/45/38/302644538.db2.gz HFWWBAZFAWVHPQ-HZPDHXFCSA-N 2 0 323.506 2.779 20 0 DFADRP [NH3+][C@@H]1CCC[C@@H]([NH2+][C@H](CCO)c2cccc(C(F)(F)F)c2)C1 ZINC000572135430 302645829 /nfs/dbraw/zinc/64/58/29/302645829.db2.gz YIQFJFWSONJOQI-RBSFLKMASA-N 2 0 316.367 2.988 20 0 DFADRP C[C@H]([NH2+][C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1)C1CCCCCC1 ZINC000572148148 302646046 /nfs/dbraw/zinc/64/60/46/302646046.db2.gz POZMPKAMSBEBAU-YJLNNSPDSA-N 2 0 321.509 2.582 20 0 DFADRP Cc1ccc([C@@H](C)NC(=O)C[NH+]2CCC(CC[NH3+])CC2)cc1C ZINC000572413587 302661439 /nfs/dbraw/zinc/66/14/39/302661439.db2.gz LAAHNKOQDZDSAA-MRXNPFEDSA-N 2 0 317.477 2.541 20 0 DFADRP C[NH+](C)CCOCC[NH2+][C@H]1CCCOc2ccc(Cl)cc21 ZINC000572708133 302677506 /nfs/dbraw/zinc/67/75/06/302677506.db2.gz PMBHZQKEARKGLX-HNNXBMFYSA-N 2 0 312.841 2.722 20 0 DFADRP CCC(CC)(CNC(=O)[C@H]1C[C@@H]([NH3+])C1)[NH2+][C@H](C)c1ccccc1 ZINC000573806470 302724942 /nfs/dbraw/zinc/72/49/42/302724942.db2.gz HOJNXLABIPUIHZ-OIISXLGYSA-N 2 0 317.477 2.750 20 0 DFADRP C[C@H]([NH2+]Cc1cccc(C[NH+]2CCCC2)c1)[C@H]1CCC[NH2+]C1 ZINC000574268937 302749650 /nfs/dbraw/zinc/74/96/50/302749650.db2.gz KCTUWRYCKCERMZ-LPHOPBHVSA-N 3 0 301.478 2.760 20 0 DFADRP [NH3+][C@@H]1CCC[C@H]1CC(=O)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000261870125 303466133 /nfs/dbraw/zinc/46/61/33/303466133.db2.gz XSWGZXHYERMXOE-OKZBNKHCSA-N 2 0 321.509 2.619 20 0 DFADRP CCO[C@@H]1C[C@@H]([NH2+]CCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)C1(C)C ZINC000181616436 316065199 /nfs/dbraw/zinc/06/51/99/316065199.db2.gz WHIHQPXGKCRYKE-YYIAUSFCSA-N 2 0 312.498 2.669 20 0 DFADRP C[NH+](C)CCN1CCC([NH2+][C@@H]2CCCc3cc(F)ccc32)CC1 ZINC000182341439 316097458 /nfs/dbraw/zinc/09/74/58/316097458.db2.gz DRRGERUKNCKPCL-LJQANCHMSA-N 2 0 319.468 2.819 20 0 DFADRP CC[NH+](CC)CCCC1CCN(c2cc[nH+]cc2C(N)=O)CC1 ZINC000184149050 316160084 /nfs/dbraw/zinc/16/00/84/316160084.db2.gz QVASLSPMDNJWBH-UHFFFAOYSA-N 2 0 318.465 2.519 20 0 DFADRP C[C@H](NCC[NH+]1CCC(C)CC1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185686671 316190249 /nfs/dbraw/zinc/19/02/49/316190249.db2.gz WUECUVXKHWAMCQ-ROUUACIJSA-N 2 0 307.526 2.961 20 0 DFADRP CC(C)N1CCC[C@H]([NH2+][C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)C1=O ZINC000185739811 316191671 /nfs/dbraw/zinc/19/16/71/316191671.db2.gz ACDIKZFXLIELPR-JZXOWHBKSA-N 2 0 321.509 2.628 20 0 DFADRP C[N@H+](C[C@@H]1CC[NH+](Cc2ccccc2)C1)C[C@@H]1CCCC[C@@H]1O ZINC000328366769 316262943 /nfs/dbraw/zinc/26/29/43/316262943.db2.gz RFYSSUYOQHNNIB-UFYCRDLUSA-N 2 0 316.489 2.991 20 0 DFADRP CC(C)C[NH+]1CCC([NH2+]C2CCN(c3nccs3)CC2)CC1 ZINC000360055245 316576053 /nfs/dbraw/zinc/57/60/53/316576053.db2.gz GUXULKGIBHBDKO-UHFFFAOYSA-N 2 0 322.522 2.822 20 0 DFADRP C[C@@H](CCc1ccc(Cl)s1)[NH2+]CCCN1CC[NH2+]CC1 ZINC000414777827 316651451 /nfs/dbraw/zinc/65/14/51/316651451.db2.gz HNQSOEGUQBGYIJ-ZDUSSCGKSA-N 2 0 315.914 2.608 20 0 DFADRP Clc1ccc([C@H]2CCC[C@H]2[NH2+]CCCN2CC[NH2+]CC2)cc1 ZINC000414784806 316654693 /nfs/dbraw/zinc/65/46/93/316654693.db2.gz TULSDPPZHPIGJR-QZTJIDSGSA-N 2 0 321.896 2.861 20 0 DFADRP CCOc1c(Cl)cc(C[NH2+][C@H]2CCC[C@@H]2C[NH3+])cc1OC ZINC000414789863 316657919 /nfs/dbraw/zinc/65/79/19/316657919.db2.gz FXKYUABOJBKFJS-OCCSQVGLSA-N 2 0 312.841 2.964 20 0 DFADRP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]Cc1cnn(Cc2ccc(F)cc2)c1 ZINC000414794879 316661150 /nfs/dbraw/zinc/66/11/50/316661150.db2.gz GBBPJTIKFBOYBD-FUHWJXTLSA-N 2 0 316.424 2.678 20 0 DFADRP COC1([C@H](C)[NH2+]CCCC[NH+]2C[C@H](C)O[C@@H](C)C2)CCCC1 ZINC000421844935 316774472 /nfs/dbraw/zinc/77/44/72/316774472.db2.gz PCIKPIGVBQKPGS-ULQDDVLXSA-N 2 0 312.498 2.813 20 0 DFADRP C[C@H](NC(=O)CCC[NH+]1CCC([NH3+])CC1)c1cccc(Cl)c1 ZINC000433141654 316880810 /nfs/dbraw/zinc/88/08/10/316880810.db2.gz PWKQBGBOWQUSNO-ZDUSSCGKSA-N 2 0 323.868 2.721 20 0 DFADRP [NH3+]C1CC[NH+](CCCC(=O)N2CCC[C@@H]2C2CCCCC2)CC1 ZINC000433150717 316882119 /nfs/dbraw/zinc/88/21/19/316882119.db2.gz XIBBJAZIZNRGDX-GOSISDBHSA-N 2 0 321.509 2.761 20 0 DFADRP CC(C)(C)[C@@H]1CCCC[C@H]1NC(=O)CCC[NH+]1CCC([NH3+])CC1 ZINC000433160070 316883866 /nfs/dbraw/zinc/88/38/66/316883866.db2.gz GHDOZYISNXGWMM-IAGOWNOFSA-N 2 0 323.525 2.911 20 0 DFADRP C[C@H](O)C[N@H+](C)C1CC[NH+](CC/C=C\c2ccccc2)CC1 ZINC000450376140 317087815 /nfs/dbraw/zinc/08/78/15/317087815.db2.gz ZTGPEJOMBZMOGC-IVEQORNPSA-N 2 0 302.462 2.867 20 0 DFADRP C[C@@H](Cc1cnccn1)[NH2+]CC1CC[NH+](Cc2ccccc2)CC1 ZINC000453063256 317157955 /nfs/dbraw/zinc/15/79/55/317157955.db2.gz DPYSHPKOCNBCSP-KRWDZBQOSA-N 2 0 324.472 2.909 20 0 DFADRP C[C@H](C[NH2+][C@H]1CC[C@@H](C)c2ccsc21)N1CC[NH+](C)CC1 ZINC000453095846 317161876 /nfs/dbraw/zinc/16/18/76/317161876.db2.gz HMUFRMCRXXJINP-FMKPAKJESA-N 2 0 307.507 2.912 20 0 DFADRP C[C@@H](NC[C@@H]1CC[N@H+](CCc2ccccc2)C1)c1ccncn1 ZINC000453103440 317162886 /nfs/dbraw/zinc/16/28/86/317162886.db2.gz CHLQDLRHUUSPDZ-AEFFLSMTSA-N 2 0 310.445 2.692 20 0 DFADRP Cc1cc([C@@H](C)[NH2+]CC2CC[NH+](CCN(C)C)CC2)cs1 ZINC000453102771 317162995 /nfs/dbraw/zinc/16/29/95/317162995.db2.gz BHIISTCQXSUOHS-OAHLLOKOSA-N 2 0 309.523 2.981 20 0 DFADRP CC(C)[C@H](Cn1cccn1)[NH2+]C1CC[NH+](C2CCCC2)CC1 ZINC000453148496 317165817 /nfs/dbraw/zinc/16/58/17/317165817.db2.gz ZCIRDKMEXMXCMP-SFHVURJKSA-N 2 0 304.482 2.904 20 0 DFADRP Cc1ccc(C[C@H](CO)[NH2+]C2CC[NH+](C(C)C)CC2)cc1C ZINC000453450440 317184540 /nfs/dbraw/zinc/18/45/40/317184540.db2.gz QXHYLVYQBSABLP-LJQANCHMSA-N 2 0 304.478 2.669 20 0 DFADRP C[C@H](C[NH2+]C1CCN(c2cc[nH+]cc2)CC1)N1CCCC[C@H]1C ZINC000459364743 317322082 /nfs/dbraw/zinc/32/20/82/317322082.db2.gz AIBYFJUGZMFOKC-IAGOWNOFSA-N 2 0 316.493 2.903 20 0 DFADRP C[NH+](C)CCN1CCC([NH2+][C@H]2CS[C@H](C(C)(C)C)C2)CC1 ZINC000488411488 317390623 /nfs/dbraw/zinc/39/06/23/317390623.db2.gz AIPXHMNPSOIEPT-CVEARBPZSA-N 2 0 313.555 2.522 20 0 DFADRP CC[NH+]1CCN(Cc2ccccc2C[NH2+]C[C@H]2C[C@@H]2C)CC1 ZINC000488420572 317391549 /nfs/dbraw/zinc/39/15/49/317391549.db2.gz WQMITKBMFNWGPN-QFBILLFUSA-N 2 0 301.478 2.570 20 0 DFADRP CC(C)(C)[C@@H]1C[C@@H]([NH2+]CCCC[N@@H+]2CCC[C@@H]2CO)CS1 ZINC000488454336 317394817 /nfs/dbraw/zinc/39/48/17/317394817.db2.gz YGUUZTKJKRGOEX-OAGGEKHMSA-N 2 0 314.539 2.733 20 0 DFADRP C[NH+](C)C1CCN(CC[NH2+][C@@H]2CS[C@@H](C(C)(C)C)C2)CC1 ZINC000488586243 317405698 /nfs/dbraw/zinc/40/56/98/317405698.db2.gz VJMBEQDBONGGLO-GOEBONIOSA-N 2 0 313.555 2.522 20 0 DFADRP Clc1ccsc1C[NH+]1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000530239303 317778017 /nfs/dbraw/zinc/77/80/17/317778017.db2.gz DXSSLTTWFJWSLI-ZDUSSCGKSA-N 2 0 314.882 2.992 20 0 DFADRP CC(C)C(=O)Nc1ccc(C[NH2+][C@@H](C)[C@H]2CCC[NH2+]C2)cc1 ZINC000571514380 317986066 /nfs/dbraw/zinc/98/60/66/317986066.db2.gz YYCOOFILMAIEOD-HOCLYGCPSA-N 2 0 303.450 2.759 20 0 DFADRP CC(C)C[C@@H](CNC(=O)C1([NH3+])CCC1)[NH2+][C@H](C)c1ccccc1 ZINC000572758519 318002741 /nfs/dbraw/zinc/00/27/41/318002741.db2.gz NEBHXNMVRYXVRU-WBVHZDCISA-N 2 0 317.477 2.750 20 0 DFADRP C[C@@H](CNC(=O)c1ccccc1C[NH+](C)C)[N@@H+]1CCC[C@@H](C)C1 ZINC000572787438 318004003 /nfs/dbraw/zinc/00/40/03/318004003.db2.gz UHJRHLNEQCHJPS-CVEARBPZSA-N 2 0 317.477 2.598 20 0 DFADRP Oc1cccnc1C[NH+]1CCC(CCC[NH+]2CCCC2)CC1 ZINC000573248375 318015041 /nfs/dbraw/zinc/01/50/41/318015041.db2.gz PLGPGJVAGOJJRI-UHFFFAOYSA-N 2 0 303.450 2.875 20 0 DFADRP C[C@H]([NH3+])CCC(=O)N1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000573327793 318016412 /nfs/dbraw/zinc/01/64/12/318016412.db2.gz VLXWUERLHFAHQG-HOTGVXAUSA-N 2 0 309.498 2.617 20 0 DFADRP CC(C)[N@@H+]1CC[C@@H](C[NH2+]Cc2ccc(-c3cnn(C)c3)s2)C1 ZINC000574544397 318024028 /nfs/dbraw/zinc/02/40/28/318024028.db2.gz PSMPPKNOELRQSA-AWEZNQCLSA-N 2 0 318.490 2.969 20 0 DFADRP O=C(CC[N@@H+]1CC[C@@]2(C1)CCC[NH2+]C2)Nc1ccc(Cl)cc1 ZINC000574637889 318029901 /nfs/dbraw/zinc/02/99/01/318029901.db2.gz KNTBYANYWGSBOT-KRWDZBQOSA-N 2 0 321.852 2.744 20 0 DFADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]CCc1ccc2c(c1)OCO2 ZINC000574799925 318041302 /nfs/dbraw/zinc/04/13/02/318041302.db2.gz VZVLDAIIESUDOL-ZBFHGGJFSA-N 2 0 304.434 2.858 20 0 DFADRP C[NH+](C)CC[C@H]([NH2+]C[C@H](O)CCc1ccccc1)C(C)(C)C ZINC000575040227 318058495 /nfs/dbraw/zinc/05/84/95/318058495.db2.gz QHFFMTUNOUUQIZ-MSOLQXFVSA-N 2 0 306.494 2.936 20 0 DFADRP CC(C)c1[nH+]c(CN2CC[C@H](C[NH+](C)C)C2)c2ccccn21 ZINC000575322145 318073232 /nfs/dbraw/zinc/07/32/32/318073232.db2.gz XUMANIOAUUFPHX-OAHLLOKOSA-N 2 0 300.450 2.841 20 0 DFADRP CC(C)CC[N@@H+]1Cc2cccc(NC(=O)C3(C)C[NH2+]C3)c2C1 ZINC000575804890 318084594 /nfs/dbraw/zinc/08/45/94/318084594.db2.gz CWIVHUFRTYHANI-UHFFFAOYSA-N 2 0 301.434 2.596 20 0 DFADRP CC(C)[C@@H]([NH2+]CCOCC[NH+](C)C)c1ccc(F)c(F)c1 ZINC000575867769 318088473 /nfs/dbraw/zinc/08/84/73/318088473.db2.gz ZPOYAEUKFXTQOC-MRXNPFEDSA-N 2 0 300.393 2.830 20 0 DFADRP C[C@@]1(C(=O)Nc2ccc(CC[NH+]3CCCCC3)cc2)CCC[NH2+]1 ZINC000575925050 318092350 /nfs/dbraw/zinc/09/23/50/318092350.db2.gz AACHEUVANAQGKS-IBGZPJMESA-N 2 0 315.461 2.796 20 0 DFADRP [NH3+][C@H]1CCC[C@H]([NH2+]CCOc2cccc(C(F)(F)F)c2)C1 ZINC000576292761 318117064 /nfs/dbraw/zinc/11/70/64/318117064.db2.gz YPJJHTAHDYSGFW-STQMWFEESA-N 2 0 302.340 2.944 20 0 DFADRP CCc1cccc(C[NH2+]Cc2ccnc(N3CC[NH+](C)CC3)c2)c1 ZINC000576350948 318120779 /nfs/dbraw/zinc/12/07/79/318120779.db2.gz RNZWLIHFEWSHAA-UHFFFAOYSA-N 2 0 324.472 2.686 20 0 DFADRP CC(C)[N@@H+]1CCCN(C(=O)C(C)(C)[C@H]([NH3+])c2ccccc2)CC1 ZINC000576587151 318136544 /nfs/dbraw/zinc/13/65/44/318136544.db2.gz GCJFXUUFASVOSV-QGZVFWFLSA-N 2 0 317.477 2.655 20 0 DFADRP CCOc1cccc2cc([C@H](C)NC[C@@H]3C[NH2+]CCCO3)oc21 ZINC000576695579 318143504 /nfs/dbraw/zinc/14/35/04/318143504.db2.gz NOXBBPFTQCLWLM-ZFWWWQNUSA-N 2 0 318.417 2.861 20 0 DFADRP C[C@H]([NH2+]CCC(=O)Nc1cccc(Cl)c1)C1=CC[N@H+](C)CC1 ZINC000576698241 318143845 /nfs/dbraw/zinc/14/38/45/318143845.db2.gz ZPUVHIJJUAGLBU-ZDUSSCGKSA-N 2 0 321.852 2.909 20 0 DFADRP Cc1ccccc1OC[C@@H](O)C[NH2+]CC[C@@H](C)[NH+]1CCCCC1 ZINC000577276114 318182473 /nfs/dbraw/zinc/18/24/73/318182473.db2.gz RMCDFJAFRKZNFP-MSOLQXFVSA-N 2 0 320.477 2.589 20 0 DFADRP C[C@H]1C[C@@H](C[NH2+]Cc2ccc(OCC(F)(F)F)nc2)CC[NH2+]1 ZINC000577363528 318188090 /nfs/dbraw/zinc/18/80/90/318188090.db2.gz OUMYYSXNXMZFQA-RYUDHWBXSA-N 2 0 317.355 2.500 20 0 DFADRP C[C@@H]1C[C@@H](CCNC(=O)CCCC[NH3+])C[N@@H+]1Cc1ccccc1 ZINC000577511109 318198441 /nfs/dbraw/zinc/19/84/41/318198441.db2.gz ZRSUEZKRNNAVET-SJLPKXTDSA-N 2 0 317.477 2.532 20 0 DFADRP C[N@@H+]1CC[C@H]([NH2+][C@@H]2COc3cc(F)ccc3C2)[C@H]2CCC[C@@H]21 ZINC000577530547 318200213 /nfs/dbraw/zinc/20/02/13/318200213.db2.gz KCGHGYAVLQRCMF-YVSFHVDLSA-N 2 0 304.409 2.592 20 0 DFADRP C[C@H]([NH2+]Cc1ccc(C[NH+]2CCCC2)cc1)[C@@H]1CCC[NH2+]C1 ZINC000577720294 318212273 /nfs/dbraw/zinc/21/22/73/318212273.db2.gz IILVYRXUWDAHSE-QFBILLFUSA-N 3 0 301.478 2.760 20 0 DFADRP COc1cc2c(cc1C[NH+]1CCC3(CC[NH2+]C3)CC1)O[C@@H](C)C2 ZINC000577730395 318213024 /nfs/dbraw/zinc/21/30/24/318213024.db2.gz PGINZZMIJFJNHF-AWEZNQCLSA-N 2 0 316.445 2.594 20 0 DFADRP C[C@@H](c1ccccc1)[C@@H](O)C[NH2+]C1CCC(C[NH+](C)C)CC1 ZINC000578064630 318235188 /nfs/dbraw/zinc/23/51/88/318235188.db2.gz OAIIRGCGRKQFFX-GSHBMFQSSA-N 2 0 304.478 2.861 20 0 DFADRP C[C@@H]([NH2+]CCC1CCN(CC(F)(F)F)CC1)[C@H]1CCC[NH2+]C1 ZINC000578433960 318260359 /nfs/dbraw/zinc/26/03/59/318260359.db2.gz RPSCRDDDPNMZFA-HIFRSBDPSA-N 2 0 321.431 2.629 20 0 DFADRP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+][C@H]1CCN(c2ncccc2F)C1 ZINC000578518475 318266510 /nfs/dbraw/zinc/26/65/10/318266510.db2.gz HAISIOOTMOKIAG-OAGGEKHMSA-N 2 0 320.456 2.700 20 0 DFADRP CC(C)[NH+](CCCNC(=O)c1ccc([C@@H](C)[NH3+])cc1)C(C)C ZINC000578527551 318267641 /nfs/dbraw/zinc/26/76/41/318267641.db2.gz JPPPHZLEFDHLKP-OAHLLOKOSA-N 2 0 305.466 2.945 20 0 DFADRP C[C@@H](NC(=O)CCCC[NH+](C)C)[C@H](c1ccccc1)[NH+](C)C ZINC000578568991 318270249 /nfs/dbraw/zinc/27/02/49/318270249.db2.gz FOMKHHTYOBGXGG-CRAIPNDOSA-N 2 0 305.466 2.526 20 0 DFADRP COC[C@H]([NH2+][C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)C(C)C ZINC000578637799 318274824 /nfs/dbraw/zinc/27/48/24/318274824.db2.gz ISNCIYCNNQUYBB-XYJFISCASA-N 2 0 304.434 2.503 20 0 DFADRP CC1CCC(O)(C[NH2+]Cc2ccccc2OCC[NH+](C)C)CC1 ZINC000578758919 318283502 /nfs/dbraw/zinc/28/35/02/318283502.db2.gz FMEXJANERZYRNA-UHFFFAOYSA-N 2 0 320.477 2.658 20 0 DFADRP Cc1ccccc1OC[C@@H](O)C[NH2+]C1CC[NH+](C(C)(C)C)CC1 ZINC000578759195 318283680 /nfs/dbraw/zinc/28/36/80/318283680.db2.gz XDJQCEZWLVHSNN-KRWDZBQOSA-N 2 0 320.477 2.587 20 0 DFADRP COc1cc(OC)c(C[C@H](C)[NH2+][C@@H]2CCC[C@@H]([NH3+])C2)c(OC)c1 ZINC000578882402 318292750 /nfs/dbraw/zinc/29/27/50/318292750.db2.gz KQPLDXODAYALQL-BFHYXJOUSA-N 2 0 322.449 2.503 20 0 DFADRP C[NH+](C)CCN(CC[NH+](C)C)Cc1cccc(C(F)(F)F)c1 ZINC000579056107 318303460 /nfs/dbraw/zinc/30/34/60/318303460.db2.gz LRHMCASBQXBKQW-UHFFFAOYSA-N 2 0 317.399 2.631 20 0 DFADRP C[NH2+]CCC[NH2+][C@H](C)CC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000579087332 318306017 /nfs/dbraw/zinc/30/60/17/318306017.db2.gz PNYNHFMDHBKSIF-LLVKDONJSA-N 2 0 317.355 2.622 20 0 DFADRP C[C@H]([NH2+]CCOc1ccc(Cl)c(F)c1)[C@H]1CCC[NH2+]C1 ZINC000579342001 318323641 /nfs/dbraw/zinc/32/36/41/318323641.db2.gz IUTXGXIBFBSBRS-RYUDHWBXSA-N 2 0 300.805 2.836 20 0 DFADRP C[C@@H]([NH2+]CC1(c2ccccc2)CCOCC1)[C@H]1CCC[NH2+]C1 ZINC000579341989 318323695 /nfs/dbraw/zinc/32/36/95/318323695.db2.gz IKMRMUKRLQQZCG-SJORKVTESA-N 2 0 302.462 2.713 20 0 DFADRP [NH3+][C@@H]1CCC[C@@H]1[NH2+]C1CCN(c2nc3ccccc3s2)CC1 ZINC000579462123 318331743 /nfs/dbraw/zinc/33/17/43/318331743.db2.gz HSBXAZZZPJONAI-KGLIPLIRSA-N 2 0 316.474 2.735 20 0 DFADRP COc1ccc2nc(C[NH+]3CCC(CC[NH3+])CC3)sc2c1 ZINC000579479780 318333663 /nfs/dbraw/zinc/33/36/63/318333663.db2.gz CRQMIWCUYUVVLI-UHFFFAOYSA-N 2 0 305.447 2.866 20 0 DFADRP CCOc1ccccc1OCCN1[C@@H]2CC[C@H]1CC[N@@H+](C)C2 ZINC000579854801 318359168 /nfs/dbraw/zinc/35/91/68/318359168.db2.gz LYAHHEWXLIOISI-JKSUJKDBSA-N 2 0 304.434 2.633 20 0 DFADRP c1cnn(-c2cccc(CN[C@@H]3C[NH2+]C[C@H]3c3ccccc3)c2)c1 ZINC000580049333 318371505 /nfs/dbraw/zinc/37/15/05/318371505.db2.gz GQZYLTSTIPEEBC-VQTJNVASSA-N 2 0 318.424 2.718 20 0 DFADRP O=C(NCCCCC[NH+]1CCCCC1)C1CC[NH+](C2CC2)CC1 ZINC000192525747 323242912 /nfs/dbraw/zinc/24/29/12/323242912.db2.gz PUBJXCAKRZPNFB-UHFFFAOYSA-N 2 0 321.509 2.633 20 0 DFADRP Cc1c[nH+]ccc1NCc1ccccc1C[N@@H+]1CCC[C@@H]1CO ZINC000192757893 323247692 /nfs/dbraw/zinc/24/76/92/323247692.db2.gz FDSWLRWRBIRYBE-GOSISDBHSA-N 2 0 311.429 2.959 20 0 DFADRP CCOC(=O)[C@]1(C(C)C)CC[N@H+](CCC[NH+]2CCCCC2)C1 ZINC000194876488 323274410 /nfs/dbraw/zinc/27/44/10/323274410.db2.gz XIHZKRQTZQUJRA-GOSISDBHSA-N 2 0 310.482 2.774 20 0 DFADRP [NH3+]C[C@@H]1CCC[C@H]1[NH2+]C[C@H]1CCCCN1Cc1ccccc1 ZINC000379632368 323290169 /nfs/dbraw/zinc/29/01/69/323290169.db2.gz SKWDZEMGDLOFSK-IPMKNSEASA-N 2 0 301.478 2.758 20 0 DFADRP C[C@@H]1C[C@H](N[C@H]2CCC[NH2+]CC2)CC[N@@H+]1Cc1ccccc1 ZINC000379659144 323290874 /nfs/dbraw/zinc/29/08/74/323290874.db2.gz YTLXWASCLIADFM-NZSAHSFTSA-N 2 0 301.478 2.771 20 0 DFADRP C[C@@H]1C[C@@H]([NH2+]C2CCC([NH3+])CC2)CCN1Cc1ccccc1 ZINC000379634085 323290958 /nfs/dbraw/zinc/29/09/58/323290958.db2.gz PILJVLLAVHGBLR-HJZRJOMTSA-N 2 0 301.478 2.899 20 0 DFADRP C[C@H](NC[C@H]1CCC[N@H+](C)C1)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000381753642 323295913 /nfs/dbraw/zinc/29/59/13/323295913.db2.gz CMKBTOMMRCJRCF-SXLOBPIMSA-N 2 0 315.505 2.828 20 0 DFADRP C[C@@H]1C[C@@H](C[N@@H+]2CCCN(Cc3ccccc3)C[C@@H]2C)CC[NH2+]1 ZINC000382728063 323301348 /nfs/dbraw/zinc/30/13/48/323301348.db2.gz WQYOTDMUHUXGLI-HBFSDRIKSA-N 2 0 315.505 2.971 20 0 DFADRP C[C@@H]1CN(Cc2ccccc2)CCC[N@@H+]1CC[C@H]1CCC[NH2+]C1 ZINC000382712579 323301540 /nfs/dbraw/zinc/30/15/40/323301540.db2.gz WCERTMBLAXTLNU-RTBURBONSA-N 2 0 315.505 2.973 20 0 DFADRP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]CCc1ccc(Br)cc1 ZINC000383052263 323303234 /nfs/dbraw/zinc/30/32/34/323303234.db2.gz UNVSYVDAKWYUJG-IUODEOHRSA-N 2 0 311.267 2.921 20 0 DFADRP C[C@@H]1C[C@H](C[N@@H+]2CC[C@H](COCc3ccccc3)C2)CC[NH2+]1 ZINC000384057698 323305675 /nfs/dbraw/zinc/30/56/75/323305675.db2.gz ZFICPRCJNGMAKC-QRQLOZEOSA-N 2 0 302.462 2.913 20 0 DFADRP C[C@@H]1C[C@@H](C[N@@H+]2CC[C@H](COCc3ccccc3)C2)CC[NH2+]1 ZINC000384057694 323305695 /nfs/dbraw/zinc/30/56/95/323305695.db2.gz ZFICPRCJNGMAKC-NEWSRXKRSA-N 2 0 302.462 2.913 20 0 DFADRP C[N@H+](CCC(=O)Nc1c(Cl)cccc1Cl)C1CC([NH3+])C1 ZINC000384897132 323309332 /nfs/dbraw/zinc/30/93/32/323309332.db2.gz VNYVGDNEEUKIKD-UHFFFAOYSA-N 2 0 316.232 2.744 20 0 DFADRP C[C@H](N[C@H]1CCC[N@H+](Cc2ccccc2)C1)[C@@H]1CCCC[NH2+]1 ZINC000386573009 323319861 /nfs/dbraw/zinc/31/98/61/323319861.db2.gz MHHPGCXAJBCADQ-WDSOQIARSA-N 2 0 301.478 2.771 20 0 DFADRP C[C@@H]1C[C@@H](C[N@H+](C)[C@@H]2CCCN(Cc3ccccc3)C2)CC[NH2+]1 ZINC000388333506 323330227 /nfs/dbraw/zinc/33/02/27/323330227.db2.gz KTJZJFMMHZFNNB-YZGWKJHDSA-N 2 0 315.505 2.971 20 0 DFADRP CC[NH+](CC)CCC[C@@H](C)NC(=O)[C@H]1C[NH2+]Cc2ccccc21 ZINC000390913346 323343590 /nfs/dbraw/zinc/34/35/90/323343590.db2.gz ZSWMDLXHXAROBY-QAPCUYQASA-N 2 0 317.477 2.500 20 0 DFADRP CC(C)[N@H+](C)CC1CCN(C(=O)CC2(C[NH3+])CCCCC2)CC1 ZINC000391353803 323345698 /nfs/dbraw/zinc/34/56/98/323345698.db2.gz XQRQIZPDLGUIQO-UHFFFAOYSA-N 2 0 323.525 2.865 20 0 DFADRP CN(CC[NH2+]C1CCC(O)(C(F)(F)F)CC1)C1CCCC1 ZINC000396315710 323352715 /nfs/dbraw/zinc/35/27/15/323352715.db2.gz CNQRHRIUOMGWCN-UHFFFAOYSA-N 2 0 308.388 2.686 20 0 DFADRP C[C@@H](C[NH2+]C1CCC(O)(C(F)(F)F)CC1)C[NH+]1CCCCC1 ZINC000396377271 323353278 /nfs/dbraw/zinc/35/32/78/323353278.db2.gz UDYNUQOIBMLJGK-NFOMZHRRSA-N 2 0 322.415 2.934 20 0 DFADRP C[C@H]([NH2+]CC1(O)CC[NH+](Cc2ccccc2)CC1)c1ccoc1 ZINC000397502702 323355390 /nfs/dbraw/zinc/35/53/90/323355390.db2.gz GGMLSGDNFCTWQX-INIZCTEOSA-N 2 0 314.429 2.957 20 0 DFADRP C[C@]1(CN[C@@H]2CCC[C@H]([NH3+])C2)CCC[N@@H+]1Cc1ccccc1 ZINC000398024898 323356631 /nfs/dbraw/zinc/35/66/31/323356631.db2.gz XRBPPDIDYCPPES-IPMKNSEASA-N 2 0 301.478 2.901 20 0 DFADRP COc1cc2c(cc1C[NH2+]C[C@@H]1CCC[C@H]([NH3+])C1)O[C@H](C)C2 ZINC000580629468 323412550 /nfs/dbraw/zinc/41/25/50/323412550.db2.gz ITKGLEDOOFTNLW-IOASZLSFSA-N 2 0 304.434 2.626 20 0 DFADRP C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)c1ccccc1C[NH+](C)C ZINC000580835623 323441315 /nfs/dbraw/zinc/44/13/15/323441315.db2.gz JZZVKOPVAQYGKH-HNNXBMFYSA-N 2 0 317.477 2.551 20 0 DFADRP C[C@@H]1C[NH+](Cc2cccc(N[C@@H]3CCC[C@H]3C[NH3+])c2)C[C@@H](C)O1 ZINC000582899178 323757453 /nfs/dbraw/zinc/75/74/53/323757453.db2.gz BCHGIJJYKGBMQZ-IIHSZXCVSA-N 2 0 317.477 2.835 20 0 DFADRP C[NH2+]Cc1ccc(NC(=O)N[C@@H](C)C[NH+]2CCC(C)CC2)cc1 ZINC000583036027 323784664 /nfs/dbraw/zinc/78/46/64/323784664.db2.gz VITGEQJSCKBIAS-HNNXBMFYSA-N 2 0 318.465 2.648 20 0 DFADRP [NH3+]C[C@@H]1CCCC[C@H]1NC[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC000583078915 323791923 /nfs/dbraw/zinc/79/19/23/323791923.db2.gz ZNPRJJMZTRDBLI-RNIPGJKVSA-N 2 0 319.468 2.626 20 0 DFADRP C[NH+]1CCC(C[NH2+][C@H]2CCCC23CC3)(N2CCCCC2)CC1 ZINC000584005227 323949827 /nfs/dbraw/zinc/94/98/27/323949827.db2.gz LWAYNCONYMXBEU-KRWDZBQOSA-N 2 0 305.510 2.859 20 0 DFADRP c1cc2c(cc1CN1CC[C@H](C[NH+]3CCCCC3)C1)C[NH2+]CC2 ZINC000584634179 337377600 /nfs/dbraw/zinc/37/76/00/337377600.db2.gz BMPWWNHWUHDDQP-GOSISDBHSA-N 3 0 313.489 2.640 20 0 DFADRP C[C@H]([NH2+]C1CCN(c2cc[nH+]cc2)CC1)[C@H](O)c1ccccc1 ZINC000297369864 533813154 /nfs/dbraw/zinc/81/31/54/533813154.db2.gz HNUYKUPLDHCYGL-KXBFYZLASA-N 2 0 311.429 2.762 20 0 DFADRP C[C@@H](C[NH2+]C1CCN(c2ccc(F)cc2F)CC1)C[NH+](C)C ZINC000293694175 534054421 /nfs/dbraw/zinc/05/44/21/534054421.db2.gz NXFVKVALZBSARG-ZDUSSCGKSA-N 2 0 311.420 2.721 20 0 DFADRP C[C@H](C[NH2+][C@H](C)c1ccc(C(=O)N(C)C)cc1)C[NH+]1CCCC1 ZINC000292384151 534125240 /nfs/dbraw/zinc/12/52/40/534125240.db2.gz ZWDDQUMOEWHENG-HZPDHXFCSA-N 2 0 317.477 2.771 20 0 DFADRP CC(C)n1ncnc1C[NH+]1CCC2(C[C@@H]2C[N@H+](C)C2CC2)CC1 ZINC000365032051 520129489 /nfs/dbraw/zinc/12/94/89/520129489.db2.gz DVAYUXMJDCMVSH-OAHLLOKOSA-N 2 0 317.481 2.555 20 0 DFADRP CCOC(=O)C1CCC([NH2+]C2CC([NH+]3CCCCC3)C2)CC1 ZINC000366288541 520553137 /nfs/dbraw/zinc/55/31/37/520553137.db2.gz VPPCILGGXMIQCB-UHFFFAOYSA-N 2 0 308.466 2.715 20 0 DFADRP CC[NH+](CC)CCOC1CC[NH+](Cc2cnn(C(C)C)c2)CC1 ZINC000354026200 520693139 /nfs/dbraw/zinc/69/31/39/520693139.db2.gz PIQVODWPOITQQX-UHFFFAOYSA-N 2 0 322.497 2.787 20 0 DFADRP Cc1ccc2[nH+]ccc(N3CC[N@H+](CC(C)(C)O)[C@@H](C)C3)c2c1 ZINC000302511845 534521109 /nfs/dbraw/zinc/52/11/09/534521109.db2.gz SWLJLSNJVNGPEN-HNNXBMFYSA-N 2 0 313.445 2.825 20 0 DFADRP CCCC[C@H]([NH3+])C(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000154551351 521212796 /nfs/dbraw/zinc/21/27/96/521212796.db2.gz MXZKNVOVXKSZFC-INIZCTEOSA-N 2 0 321.490 2.691 20 0 DFADRP CCN1CC[NH+](CCCC[NH2+][C@H](C)c2cnn(C(C)C)c2)CC1 ZINC000154534736 521679662 /nfs/dbraw/zinc/67/96/62/521679662.db2.gz XPYLZVRPXJXHAC-QGZVFWFLSA-N 2 0 321.513 2.532 20 0 DFADRP CC[NH+]1CCN([C@H](C)C[NH2+][C@@H]2CCc3ccc(C)cc32)CC1 ZINC000155694254 521694595 /nfs/dbraw/zinc/69/45/95/521694595.db2.gz OEFQKGRVDCBKPA-VQIMIIECSA-N 2 0 301.478 2.598 20 0 DFADRP CC[C@H]([NH2+]CCCN1CC[NH+](CC)CC1)c1ccccc1OC ZINC000154316361 522584329 /nfs/dbraw/zinc/58/43/29/522584329.db2.gz VYJBVIMQGFDOSU-SFHVURJKSA-N 2 0 319.493 2.764 20 0 DFADRP [NH3+]CC[C@@H]1CCCC[N@@H+]1CCCc1nc(-c2cccs2)no1 ZINC000315694858 534648533 /nfs/dbraw/zinc/64/85/33/534648533.db2.gz XHMVCXBGAITCEV-ZDUSSCGKSA-N 2 0 320.462 2.934 20 0 DFADRP C[N@@H+]1CCC[C@@H]1CC[NH+]1CCC(C(=O)NC2CCCCC2)CC1 ZINC000366352794 523820851 /nfs/dbraw/zinc/82/08/51/523820851.db2.gz GAILRDMKFTUKFN-GOSISDBHSA-N 2 0 321.509 2.632 20 0 DFADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]C[C@@H]1Cc2ccccc2N(C)C1 ZINC000364852651 524913074 /nfs/dbraw/zinc/91/30/74/524913074.db2.gz ICRFNZGTFWRSIX-CBZIJGRNSA-N 2 0 301.478 2.613 20 0 DFADRP O=C(CC1CC[NH2+]CC1)NC1CC[NH+](CC2CCCCC2)CC1 ZINC000366330473 526367618 /nfs/dbraw/zinc/36/76/18/526367618.db2.gz CAZHQQGITDLFLZ-UHFFFAOYSA-N 2 0 321.509 2.537 20 0 DFADRP [NH3+]C1(C(=O)N[C@@H]2CCC[N@@H+](C3CCCCC3)C2)CCCCC1 ZINC000366350069 527127197 /nfs/dbraw/zinc/12/71/97/527127197.db2.gz YYHPAJDUVYVBIJ-OAHLLOKOSA-N 2 0 307.482 2.561 20 0 DFADRP O=C(NC1CCCCC1)C1CC[NH+](CCC[NH+]2CCCC2)CC1 ZINC000371178121 527512252 /nfs/dbraw/zinc/51/22/52/527512252.db2.gz RIHCTLHMSHJSTQ-UHFFFAOYSA-N 2 0 321.509 2.633 20 0 DFADRP FC(F)(F)CN1CCC([NH2+]CCCCC[NH+]2CCCC2)CC1 ZINC000339498397 527667818 /nfs/dbraw/zinc/66/78/18/527667818.db2.gz RGSXOVQEIORYLH-UHFFFAOYSA-N 2 0 321.431 2.869 20 0 DFADRP CC[NH+](CC)CCN(Cc1cccs1)C(=O)[C@H](C)[NH2+]C1CC1 ZINC000295662002 528126967 /nfs/dbraw/zinc/12/69/67/528126967.db2.gz JKKVCVCYPFFZCY-AWEZNQCLSA-N 2 0 323.506 2.559 20 0 DFADRP CC[NH+](CC)[C@H](CNC(=O)[C@@]1(CC)CC[NH2+]C1)c1ccccc1 ZINC000320491461 528277077 /nfs/dbraw/zinc/27/70/77/528277077.db2.gz VUKVVFYTYXZRHJ-MJGOQNOKSA-N 2 0 317.477 2.575 20 0 DFADRP CCCCN(C)C[C@H](C)[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000297459969 528360453 /nfs/dbraw/zinc/36/04/53/528360453.db2.gz QAUDNNXNULIKNL-INIZCTEOSA-N 2 0 304.482 2.760 20 0 DFADRP CC(C)C[C@H](CN(C)C)[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000315870396 528502989 /nfs/dbraw/zinc/50/29/89/528502989.db2.gz NEQITTYOOSASEL-QGZVFWFLSA-N 2 0 304.482 2.616 20 0 DFADRP CCC[NH2+][C@@H](C)C(=O)Nc1cccc(C[NH+]2CCCCC2)c1 ZINC000294684988 528545409 /nfs/dbraw/zinc/54/54/09/528545409.db2.gz AGFFGLZLQZLLGI-HNNXBMFYSA-N 2 0 303.450 2.999 20 0 DFADRP CC(C)n1ncc2cc(C[NH2+]Cc3ccc4c[nH+]cn4c3)cnc21 ZINC000297410775 528664507 /nfs/dbraw/zinc/66/45/07/528664507.db2.gz CXZUWELHRNOHBT-UHFFFAOYSA-N 2 0 320.400 2.950 20 0 DFADRP CC[NH+]1CCN([C@@H](C)CNc2cc[nH+]c3ccc(C)cc23)CC1 ZINC000302152363 529150773 /nfs/dbraw/zinc/15/07/73/529150773.db2.gz LATFDUGJRSAJOJ-INIZCTEOSA-N 2 0 312.461 2.981 20 0 DFADRP CCCC[C@H]([NH3+])C(=O)NC[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000236807401 535044030 /nfs/dbraw/zinc/04/40/30/535044030.db2.gz CSXGMJGKRKFJOK-DZKIICNBSA-N 2 0 323.506 2.765 20 0 DFADRP CCCC[N@H+](C)CC1CCN(C(=O)[C@H]([NH3+])c2ccccc2)CC1 ZINC000236709716 535212979 /nfs/dbraw/zinc/21/29/79/535212979.db2.gz LIFZJHXUVVXXIY-GOSISDBHSA-N 2 0 317.477 2.657 20 0 DFADRP CC(C)C(=O)N1CCC([NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)CC1 ZINC000261696296 535373140 /nfs/dbraw/zinc/37/31/40/535373140.db2.gz JQQWJRDDINMQHZ-FGTMMUONSA-N 2 0 321.509 2.534 20 0 DFADRP CC[C@@H](C(=O)N(CC[NH+](C)C)Cc1ccc(C)o1)[NH+](CC)CC ZINC000359584506 535401144 /nfs/dbraw/zinc/40/11/44/535401144.db2.gz DQSCTLKWCZWZJD-KRWDZBQOSA-N 2 0 323.481 2.599 20 0 DFADRP CC[NH2+]CC1CC[NH+](CC(=O)N(C)[C@@H](C)c2ccccc2)CC1 ZINC000261744934 535457844 /nfs/dbraw/zinc/45/78/44/535457844.db2.gz OHSASYQEVVKAMQ-INIZCTEOSA-N 2 0 317.477 2.528 20 0 DFADRP CC[NH2+]CC1CC[NH+](Cc2cc(OC)c(OC)c(OC)c2)CC1 ZINC000261653062 535459621 /nfs/dbraw/zinc/45/96/21/535459621.db2.gz FKZSJQFPPSWMAZ-UHFFFAOYSA-N 2 0 322.449 2.534 20 0 DFADRP CC[NH+](CC)Cc1ccc(-c2nc(C3([NH3+])CCC3)no2)cc1 ZINC000261895312 535599191 /nfs/dbraw/zinc/59/91/91/535599191.db2.gz XWNQTUKTOJBECQ-UHFFFAOYSA-N 2 0 300.406 2.916 20 0 DFADRP CCN(C(=O)C[NH+]1CCC([C@@H]2CCC[NH2+]2)CC1)C1CCCCC1 ZINC000261784362 535662950 /nfs/dbraw/zinc/66/29/50/535662950.db2.gz SJYJEHPWZIAIGW-SFHVURJKSA-N 2 0 321.509 2.632 20 0 DFADRP CC[NH+](CC)[C@H](C(=O)NCCC[N@H+](C)C(C)C)c1ccccc1 ZINC000355562954 535665309 /nfs/dbraw/zinc/66/53/09/535665309.db2.gz GMFOTVSYANEUGQ-SFHVURJKSA-N 2 0 319.493 2.916 20 0 DFADRP CC[NH+](CC)[C@H](C(=O)NCC[N@H+](CC)C1CC1)c1ccccc1 ZINC000355641594 535665559 /nfs/dbraw/zinc/66/55/59/535665559.db2.gz HTIWBNSMQXUFIW-SFHVURJKSA-N 2 0 317.477 2.670 20 0 DFADRP CCOc1ccc(C(C)=O)cc1C[N@@H+]1CCC[C@H](CC[NH3+])C1 ZINC000261925098 535709620 /nfs/dbraw/zinc/70/96/20/535709620.db2.gz IMCWYQONTLQLIV-OAHLLOKOSA-N 2 0 304.434 2.849 20 0 DFADRP CC[NH+]1CCN([C@@H]2CC[N@H+](Cc3ccccc3SC)C2)CC1 ZINC000358064235 535737308 /nfs/dbraw/zinc/73/73/08/535737308.db2.gz LGJNTAGRKPWGJC-QGZVFWFLSA-N 2 0 319.518 2.620 20 0 DFADRP CC[C@@H]1C[C@H](C[N@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3CCOC)CCO1 ZINC000354509579 535894727 /nfs/dbraw/zinc/89/47/27/535894727.db2.gz YCWAAGYZGDZUKX-BSLJZLGVSA-N 2 0 324.509 2.765 20 0 DFADRP C[NH2+][C@H](C)Cc1noc([C@H]2CCC[N@H+](Cc3ccccc3)C2)n1 ZINC000261773199 536405908 /nfs/dbraw/zinc/40/59/08/536405908.db2.gz NINLKSZHESULEN-ZBFHGGJFSA-N 2 0 314.433 2.600 20 0 DFADRP COc1cc(C)c(C[N@H+](C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1OC ZINC000261915436 536566713 /nfs/dbraw/zinc/56/67/13/536566713.db2.gz GVQCQKJTHKTGIQ-XYPWUTKMSA-N 2 0 304.434 2.727 20 0 DFADRP COC[C@H](CCC[NH3+])[NH2+]CCc1ccc(Cl)cc1Cl ZINC000234786021 536850639 /nfs/dbraw/zinc/85/06/39/536850639.db2.gz OQSVNUCAIWFCFN-ZDUSSCGKSA-N 2 0 305.249 2.879 20 0 DFADRP CN(Cc1ccccc1)C[C@H](O)C[NH+]1CC2(C1)CCCCC2 ZINC000680534906 545506901 /nfs/dbraw/zinc/50/69/01/545506901.db2.gz KQHOSQZEYLPMQU-SFHVURJKSA-N 2 0 302.462 2.745 20 0 DFADRP COC[C@H]1CCCC[N@H+](Cc2ccc(OCC[NH+](C)C)cc2)C1 ZINC000681084717 545593795 /nfs/dbraw/zinc/59/37/95/545593795.db2.gz ZYIMINQXGJOIKV-SFHVURJKSA-N 2 0 320.477 2.876 20 0 DFADRP CC[C@@H]1C[N@@H+]2CCCC[C@H]2CN1C(=O)[C@H](C)[NH2+]C(C)(C)CC ZINC000681304968 545626254 /nfs/dbraw/zinc/62/62/54/545626254.db2.gz VNXGKEIKHWLKQF-XHSDSOJGSA-N 2 0 309.498 2.628 20 0 DFADRP C[C@@H]1C[N@@H+]([C@H]2CCc3ccccc32)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000682071149 545787320 /nfs/dbraw/zinc/78/73/20/545787320.db2.gz HEOBNMSMPMITJO-UXPWSPDFSA-N 2 0 313.489 2.632 20 0 DFADRP CC(C)n1ncc2c1C[C@@H]([NH2+][C@@H](C)C1CC[NH+](C)CC1)CC2 ZINC000682912699 545939870 /nfs/dbraw/zinc/93/98/70/545939870.db2.gz UJNDFDFHUIIKDY-YOEHRIQHSA-N 2 0 304.482 2.641 20 0 DFADRP CC[NH+](CC)Cc1ccc(C(=O)N2CCC[C@H]([NH+](C)C)CC2)o1 ZINC000683260256 545997812 /nfs/dbraw/zinc/99/78/12/545997812.db2.gz HQQYVHILIGFBHR-HNNXBMFYSA-N 2 0 321.465 2.678 20 0 DFADRP C[NH+](C)CC1(C(=O)N2CCC[C@@H]2[C@@H]2CCC[N@@H+]2C)CCCCC1 ZINC000683848382 546108065 /nfs/dbraw/zinc/10/80/65/546108065.db2.gz OWLVIJZNBBLWQB-DLBZAZTESA-N 2 0 321.509 2.584 20 0 DFADRP CO[C@@H]1CCC[C@@H]([NH2+]Cc2cccc(OCC[NH+](C)C)c2)C1 ZINC000684371122 546202080 /nfs/dbraw/zinc/20/20/80/546202080.db2.gz LBWZOIBMNSOPCO-IAGOWNOFSA-N 2 0 306.450 2.674 20 0 DFADRP CO[C@H]1CCC[C@@H]([NH2+]CCc2ccc(OCC[NH+](C)C)cc2)C1 ZINC000684375711 546203957 /nfs/dbraw/zinc/20/39/57/546203957.db2.gz AEBVRJODSGRCAZ-MJGOQNOKSA-N 2 0 320.477 2.717 20 0 DFADRP COc1c[nH+]ccc1N1CC[NH+]([C@@H]2CCc3ccccc32)CC1 ZINC000684628638 546255973 /nfs/dbraw/zinc/25/59/73/546255973.db2.gz RUJCFYOPWJJHBC-QGZVFWFLSA-N 2 0 309.413 2.900 20 0 DFADRP CN(CCC[NH+]1CCCC1)C(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000684987553 546314019 /nfs/dbraw/zinc/31/40/19/546314019.db2.gz YAVRDJDSIDINDW-QGZVFWFLSA-N 2 0 321.509 2.585 20 0 DFADRP c1cc(N2CC[NH+](CCCCC3CCOCC3)CC2)cc[nH+]1 ZINC000685002152 546316877 /nfs/dbraw/zinc/31/68/77/546316877.db2.gz XIEBYEVNKLQAHE-UHFFFAOYSA-N 2 0 303.450 2.801 20 0 DFADRP C[NH+](C)CCCN(CCC[NH+](C)C)Cc1cc2ccccc2[nH]1 ZINC000685450836 546352130 /nfs/dbraw/zinc/35/21/30/546352130.db2.gz YWLDTHLUEJINLW-UHFFFAOYSA-N 2 0 316.493 2.873 20 0 DFADRP C[N@H+](C/C=C\c1ccccc1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000685457728 546353689 /nfs/dbraw/zinc/35/36/89/546353689.db2.gz KYKXHVBKDPMLRD-NSDNCLLMSA-N 2 0 313.489 2.800 20 0 DFADRP C[NH+](C)CCOc1ccc(C[N@H+](C)C2CCC(CO)CC2)cc1 ZINC000685468312 546357164 /nfs/dbraw/zinc/35/71/64/546357164.db2.gz KMIKMHQOBPPNKL-UHFFFAOYSA-N 2 0 320.477 2.610 20 0 DFADRP C[NH+](C)CCN(C(=O)C[C@@H]([NH3+])c1ccccc1)c1ccccc1 ZINC000237113628 282088477 /nfs/dbraw/zinc/08/84/77/282088477.db2.gz HQGWBJCPYPYZQA-GOSISDBHSA-N 2 0 311.429 2.671 20 0 DFADRP C[NH+](C)Cc1cccc(NC(=O)NCC[C@H]2CCC[N@H+](C)C2)c1 ZINC000459266357 299070144 /nfs/dbraw/zinc/07/01/44/299070144.db2.gz POIWDOKIDCPWNM-OAHLLOKOSA-N 2 0 318.465 2.602 20 0 DFADRP C[C@H]([NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1)c1ccc2c(c1)CCO2 ZINC000278435639 214151847 /nfs/dbraw/zinc/15/18/47/214151847.db2.gz HDUXAQDXUXJLMV-HOTGVXAUSA-N 2 0 318.461 2.773 20 0 DFADRP C[NH+](C)CCc1ccc(NC(=O)[C@]23C[NH2+]C[C@@H]2CCCC3)cc1 ZINC000262381587 282114395 /nfs/dbraw/zinc/11/43/95/282114395.db2.gz MYGBWHKFQCZAQP-QFBILLFUSA-N 2 0 315.461 2.509 20 0 DFADRP Clc1nc2ccccn2c1C[NH2+]CC1CC[NH+](C2CC2)CC1 ZINC000278472314 214175858 /nfs/dbraw/zinc/17/58/58/214175858.db2.gz HJVSVLWPUWWMBO-UHFFFAOYSA-N 2 0 318.852 2.952 20 0 DFADRP C[NH+](C)C[C@](C)(O)C[NH2+][C@H]1CCC[C@H]1c1ccccc1Cl ZINC000368325276 282143873 /nfs/dbraw/zinc/14/38/73/282143873.db2.gz YYNOSVFLIKIDPK-BHYGNILZSA-N 2 0 310.869 2.878 20 0 DFADRP CC1(C)[C@H]([NH2+]CC2CCN(c3cc[nH+]cc3)CC2)[C@@H]2CCO[C@@H]21 ZINC000278629305 214287720 /nfs/dbraw/zinc/28/77/20/214287720.db2.gz GUYVCRLCRPWAPO-KSZLIROESA-N 2 0 315.461 2.701 20 0 DFADRP C[NH+](C)CCc1ccccc1NC(=O)C1CC[NH+](C2CC2)CC1 ZINC000278666127 214311655 /nfs/dbraw/zinc/31/16/55/214311655.db2.gz CFNDESNIVUSSGN-UHFFFAOYSA-N 2 0 315.461 2.604 20 0 DFADRP C[C@H]([NH2+]CC[C@@H]1CCC[N@@H+]1C)c1ccc(N2CCOC2=O)cc1 ZINC000181296606 199278096 /nfs/dbraw/zinc/27/80/96/199278096.db2.gz FVJIYMIMZZVPIQ-HOCLYGCPSA-N 2 0 317.433 2.778 20 0 DFADRP C[C@@H]([NH2+]C[C@H]1CCC[N@H+](Cc2ccccc2)C1)c1cnn(C)c1 ZINC000309696087 231100901 /nfs/dbraw/zinc/10/09/01/231100901.db2.gz DZORIRUKZMBUEA-SJLPKXTDSA-N 2 0 312.461 2.983 20 0 DFADRP OC1(C[N@H+]2C[C@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)CCCC1 ZINC000309997281 231108795 /nfs/dbraw/zinc/10/87/95/231108795.db2.gz CEZQZBHNRAUVJS-RTBURBONSA-N 2 0 314.473 2.745 20 0 DFADRP Cc1nccn1[C@H]1CCC[N@@H+]([C@@H](C)C(=O)N(C(C)C)C(C)C)C1 ZINC000591905708 398348435 /nfs/dbraw/zinc/34/84/35/398348435.db2.gz GXUUTXHFZXLTKB-RDJZCZTQSA-N 2 0 320.481 2.862 20 0 DFADRP C[N@H+](Cc1ccccc1)[C@@H]1CCN(CC[NH+]2CCCCC2)C1 ZINC000081534425 398357418 /nfs/dbraw/zinc/35/74/18/398357418.db2.gz XMNGROZXPYVHHX-LJQANCHMSA-N 2 0 301.478 2.679 20 0 DFADRP CCc1c(C)[nH+]c2ccccc2c1N1CC[N@H+](CCO)[C@H](C)C1 ZINC000302344026 529491485 /nfs/dbraw/zinc/49/14/85/529491485.db2.gz APBWHQSILLEFIE-CQSZACIVSA-N 2 0 313.445 2.608 20 0 DFADRP CC[C@@H](CO)[NH+]1CCN(c2c(C)c(C)[nH+]c3ccccc32)CC1 ZINC000302061275 529510193 /nfs/dbraw/zinc/51/01/93/529510193.db2.gz CJPZCFMJNGPIMQ-INIZCTEOSA-N 2 0 313.445 2.745 20 0 DFADRP CC(C)C[C@@H]([NH3+])C(=O)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000236727856 398363291 /nfs/dbraw/zinc/36/32/91/398363291.db2.gz WSXFYXVPQRJTQT-GOSISDBHSA-N 2 0 317.477 2.662 20 0 DFADRP CCOc1cc(C[NH2+]C[C@@H]2CCCN2C)ccc1OC(F)F ZINC000236945141 398365288 /nfs/dbraw/zinc/36/52/88/398365288.db2.gz UPLAESHHSOYHQJ-ZDUSSCGKSA-N 2 0 314.376 2.871 20 0 DFADRP COc1cccc([C@H](CNC2CC[NH+](C(C)C)CC2)[NH+](C)C)c1 ZINC000237328090 398369419 /nfs/dbraw/zinc/36/94/19/398369419.db2.gz OKGNWKCVEUYASD-IBGZPJMESA-N 2 0 319.493 2.760 20 0 DFADRP C[C@H]1CCCC[N@@H+]1Cc1ccc(NC(=O)C[NH2+]C2CC2)cc1 ZINC000237526675 398371337 /nfs/dbraw/zinc/37/13/37/398371337.db2.gz VJLRIFKBZBXSSM-AWEZNQCLSA-N 2 0 301.434 2.752 20 0 DFADRP CCO[C@@H]1C[C@H]([NH2+]C[C@H](C(C)C)N2CCCC2)[C@H]1SC ZINC000459359530 299087736 /nfs/dbraw/zinc/08/77/36/299087736.db2.gz CEKLXXRRXASWOE-ZJIFWQFVSA-N 2 0 300.512 2.605 20 0 DFADRP CCC[C@H](C)[NH2+]Cc1ccc(C(=O)NCC[NH+]2CCCC2)cc1 ZINC000090028355 185278909 /nfs/dbraw/zinc/27/89/09/185278909.db2.gz WWICYPMTMBTJCJ-INIZCTEOSA-N 2 0 317.477 2.790 20 0 DFADRP C[C@H]1CCCC[N@@H+]1CCC1CC[NH+](CCc2cncn2C)CC1 ZINC000459377580 299091172 /nfs/dbraw/zinc/09/11/72/299091172.db2.gz YHJQKVWHCVVEDQ-KRWDZBQOSA-N 2 0 318.509 2.939 20 0 DFADRP COCCOc1cccc(C[NH+]2CCC(CC[NH+](C)C)CC2)c1 ZINC000092380986 185314823 /nfs/dbraw/zinc/31/48/23/185314823.db2.gz FDOPNUIPTXJEKO-UHFFFAOYSA-N 2 0 320.477 2.876 20 0 DFADRP CCO[C@@H]1C[C@H]([NH2+]C[C@H](C)N2CCC[C@@H](C)C2)[C@@H]1SC ZINC000459385322 299092566 /nfs/dbraw/zinc/09/25/66/299092566.db2.gz ZWQRISYINXHFSU-CWVYHPPDSA-N 2 0 300.512 2.605 20 0 DFADRP C[C@H]1CCC[C@H](C[NH2+]C2CCN(C3CC[NH+](C)CC3)CC2)C1 ZINC000092564481 185326417 /nfs/dbraw/zinc/32/64/17/185326417.db2.gz VYUAFTVUVMYTEV-IRXDYDNUSA-N 2 0 307.526 2.961 20 0 DFADRP COc1ccc(C[C@@H](C)C[N@H+](C)CCc2cncn2C)cc1 ZINC000459397524 299095829 /nfs/dbraw/zinc/09/58/29/299095829.db2.gz WSWBAFBXBJOMLN-OAHLLOKOSA-N 2 0 301.434 2.782 20 0 DFADRP C[N@H+](CCCN1CC[NH+](C)CC1)Cc1ccc(Cl)c(F)c1 ZINC000181410797 199293063 /nfs/dbraw/zinc/29/30/63/199293063.db2.gz NYALASQWNGOTCA-UHFFFAOYSA-N 2 0 313.848 2.548 20 0 DFADRP CC(C)[C@@H]1CN([C@H]2CC[NH+](Cc3ccccc3)C2)CC[N@@H+]1C ZINC000459410165 299099079 /nfs/dbraw/zinc/09/90/79/299099079.db2.gz BZBFFHGIFUYAMR-OALUTQOASA-N 2 0 301.478 2.533 20 0 DFADRP CCc1nc(C[NH2+]C2CCN(c3cc[nH+]cc3)CC2)cs1 ZINC000328196377 529740030 /nfs/dbraw/zinc/74/00/30/529740030.db2.gz FAOLNWJWCPCWCA-UHFFFAOYSA-N 2 0 302.447 2.859 20 0 DFADRP CC1CCC([NH2+]Cc2ccnc(N3CC[NH+](C)CC3)c2)CC1 ZINC000584736836 398405636 /nfs/dbraw/zinc/40/56/36/398405636.db2.gz FNHRNJBUONBZAM-UHFFFAOYSA-N 2 0 302.466 2.502 20 0 DFADRP CC[NH+]1CCN([C@@H]2CC[N@H+](C/C=C\c3ccc(F)cc3)C2)CC1 ZINC000255012166 398423649 /nfs/dbraw/zinc/42/36/49/398423649.db2.gz VQTYDYHIPHQIDY-ZRHASKPBSA-N 2 0 317.452 2.551 20 0 DFADRP CC(C)C[C@H](CO)[NH2+]Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000067224103 398424049 /nfs/dbraw/zinc/42/40/49/398424049.db2.gz CFBQVRNSGZFDFG-GOSISDBHSA-N 2 0 320.477 2.658 20 0 DFADRP CCCC[N@@H+]1CCCC[C@H]1CNC(=O)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000262647576 398433666 /nfs/dbraw/zinc/43/36/66/398433666.db2.gz ABTUZYPDTQAROK-FBVQUNGASA-N 2 0 321.509 2.678 20 0 DFADRP CCOC(=O)CCCCC[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000592491669 398433931 /nfs/dbraw/zinc/43/39/31/398433931.db2.gz FWBTZAAVPAJDQA-SJORKVTESA-N 2 0 310.482 2.822 20 0 DFADRP CCO[C@@H]1C[C@H]([NH2+]CCC[NH+](C(C)C)C(C)C)[C@H]1SC ZINC000459451854 299109737 /nfs/dbraw/zinc/10/97/37/299109737.db2.gz ZMBZHMXVURZVTM-ARFHVFGLSA-N 2 0 302.528 2.994 20 0 DFADRP CC[NH+]1C[C@H](C)N(CC[N@H+](C)Cc2ccc(F)cc2)[C@@H](C)C1 ZINC000459454256 299110151 /nfs/dbraw/zinc/11/01/51/299110151.db2.gz FBMYHLWLSLUXCM-HOTGVXAUSA-N 2 0 307.457 2.672 20 0 DFADRP O[C@H]1CCC[C@@H]1[NH+]1CCC([NH2+]C[C@@H]2C[C@H]2c2ccccc2)CC1 ZINC000459456272 299111605 /nfs/dbraw/zinc/11/16/05/299111605.db2.gz ZKSZVQVETJNPBW-LEAZDLGRSA-N 2 0 314.473 2.758 20 0 DFADRP C[NH+](C)[C@H]1CCC[N@H+](CCCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000277344919 398455093 /nfs/dbraw/zinc/45/50/93/398455093.db2.gz WGCFTUNCLLLZKZ-HNNXBMFYSA-N 2 0 321.421 2.780 20 0 DFADRP C[N@@H+]1CC[C@H]([NH2+]CCCCC(=O)OC(C)(C)C)[C@H]2CCC[C@H]21 ZINC000586791445 398460393 /nfs/dbraw/zinc/46/03/93/398460393.db2.gz CNPBVBYWEWYDPS-OWCLPIDISA-N 2 0 310.482 2.961 20 0 DFADRP CCO[C@@H]1C[C@H]([NH2+]CC[C@@H](C)[NH+]2CCCCC2)[C@H]1SC ZINC000459480565 299117819 /nfs/dbraw/zinc/11/78/19/299117819.db2.gz LWMKNYWZNUWGSA-QKPAOTATSA-N 2 0 300.512 2.750 20 0 DFADRP Oc1cccc2c1C[C@H]([NH2+]C1CCN(c3cc[nH+]cc3)CC1)C2 ZINC000459514721 299123080 /nfs/dbraw/zinc/12/30/80/299123080.db2.gz UJCSKEVNHLRMAB-MRXNPFEDSA-N 2 0 309.413 2.513 20 0 DFADRP C[C@H]([NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccc(-n2ccnn2)cc1 ZINC000090879258 398494664 /nfs/dbraw/zinc/49/46/64/398494664.db2.gz TVEHACTXJUJLBT-YXJHDRRASA-N 2 0 311.433 2.545 20 0 DFADRP C[C@H](CCO)[NH2+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000272705139 210108967 /nfs/dbraw/zinc/10/89/67/210108967.db2.gz UAYMNQAZOVREFG-NXWXRZEISA-N 2 0 302.462 2.648 20 0 DFADRP CC[NH+](CC)[C@H](C)CNC(=O)c1cccc(C[NH+]2CCCC2)c1 ZINC000068426032 398503028 /nfs/dbraw/zinc/50/30/28/398503028.db2.gz FMGGPCYOGACZSL-MRXNPFEDSA-N 2 0 317.477 2.743 20 0 DFADRP C[C@@H]1C[NH+](CCCC[NH2+]Cc2cnn(C(C)(C)C)c2)C[C@@H](C)O1 ZINC000067452596 282478032 /nfs/dbraw/zinc/47/80/32/282478032.db2.gz HOAQWUAORLWLQL-HZPDHXFCSA-N 2 0 322.497 2.617 20 0 DFADRP CC[NH+](CC)CCN(CC(C)C)C(=O)CC[C@H]1CCC[NH2+]C1 ZINC000314851428 398521804 /nfs/dbraw/zinc/52/18/04/398521804.db2.gz UGWOXTFSCWIYDU-QGZVFWFLSA-N 2 0 311.514 2.593 20 0 DFADRP C[C@H](NC(=O)C[NH+]1CCC(CC[NH3+])CC1)c1ccccc1Cl ZINC000315936609 398529071 /nfs/dbraw/zinc/52/90/71/398529071.db2.gz IJPLTQKZTQDWSU-ZDUSSCGKSA-N 2 0 323.868 2.578 20 0 DFADRP CC[C@H](C)[N@H+](C)CCNC(=O)c1ccc(C[NH+](CC)CC)o1 ZINC000589177072 398532667 /nfs/dbraw/zinc/53/26/67/398532667.db2.gz HLAYGYOYHIYZOI-AWEZNQCLSA-N 2 0 309.454 2.582 20 0 DFADRP O=C(CC[C@@H]1CC[NH2+]C1)Nc1ccc(C[NH+]2CCCC2)cc1 ZINC000317333627 398535437 /nfs/dbraw/zinc/53/54/37/398535437.db2.gz XLMAPYQOKPACAQ-OAHLLOKOSA-N 2 0 301.434 2.611 20 0 DFADRP COc1ccc(C[C@H](C)[NH2+]CC2(C[NH+](C)C)CCCC2)cn1 ZINC000414126554 295770251 /nfs/dbraw/zinc/77/02/51/295770251.db2.gz DWKHVGXLDPJPAY-HNNXBMFYSA-N 2 0 305.466 2.733 20 0 DFADRP CC1(C)C[C@H](C[NH2+]C2CCN(c3cc[nH+]cc3)CC2)CCO1 ZINC000459595430 299143544 /nfs/dbraw/zinc/14/35/44/299143544.db2.gz MTGPUCDPMKOCLQ-OAHLLOKOSA-N 2 0 303.450 2.845 20 0 DFADRP C[C@@H]1OCC[C@@H]1[NH2+][C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000272620902 210020922 /nfs/dbraw/zinc/02/09/22/210020922.db2.gz YGCPONLMJIQDKU-BHNDVYRESA-N 2 0 300.446 2.664 20 0 DFADRP CC(C)[C@H](CNC(=O)CCCCCC[NH3+])[NH+]1CCC(C)CC1 ZINC000236656857 201950830 /nfs/dbraw/zinc/95/08/30/201950830.db2.gz SWHOUAMDLCLRFB-KRWDZBQOSA-N 2 0 311.514 2.768 20 0 DFADRP COc1ccc(C[C@H](C)[NH2+]C[C@H]2CC[N@@H+](C(C)C)C2)cc1OC ZINC000320271773 398546306 /nfs/dbraw/zinc/54/63/06/398546306.db2.gz UFJZIWOKKGWGSI-DOTOQJQBSA-N 2 0 320.477 2.955 20 0 DFADRP COCCC[NH+]1CCC([NH2+][C@H](C)[C@@H](OC)c2ccccc2)CC1 ZINC000279744298 215109475 /nfs/dbraw/zinc/10/94/75/215109475.db2.gz PHFJOJVUOVCDNF-VQIMIIECSA-N 2 0 320.477 2.853 20 0 DFADRP Cc1cccc(CCC[NH+]2CCC([N@H+](C)CCCO)CC2)c1 ZINC000272607879 210005905 /nfs/dbraw/zinc/00/59/05/210005905.db2.gz WJQLPEGLVGPLTF-UHFFFAOYSA-N 2 0 304.478 2.706 20 0 DFADRP C[NH+](C)C1(CNC(=O)CC[C@H]([NH3+])c2ccccc2)CCCCC1 ZINC000321666357 398553762 /nfs/dbraw/zinc/55/37/62/398553762.db2.gz SZJQPZFUDBQHOC-KRWDZBQOSA-N 2 0 317.477 2.847 20 0 DFADRP COC(=O)c1ccc(C[NH2+]CCC2CC[NH+](C)CC2)cc1Cl ZINC000597055201 398556597 /nfs/dbraw/zinc/55/65/97/398556597.db2.gz CQKDJSLPWMCXCB-UHFFFAOYSA-N 2 0 324.852 2.948 20 0 DFADRP Brc1csc(C[NH2+]CC[C@@H]2CCC[NH2+]C2)c1 ZINC000070600574 190908274 /nfs/dbraw/zinc/90/82/74/190908274.db2.gz KKORXOUXHHHKJV-JTQLQIEISA-N 2 0 303.269 2.990 20 0 DFADRP CC(C)[C@@H]1C[C@@H]([NH2+]Cc2ccnc(OCC[NH+](C)C)c2)CS1 ZINC000277343056 213459258 /nfs/dbraw/zinc/45/92/58/213459258.db2.gz VFMVTUQMUQDZSY-CVEARBPZSA-N 2 0 323.506 2.642 20 0 DFADRP C[C@@H](C1CC1)[N@H+](C[C@@H](O)CN(C)Cc1ccccc1)C1CC1 ZINC000590125137 398598202 /nfs/dbraw/zinc/59/82/02/398598202.db2.gz IXSTYAKSLXRIER-KXBFYZLASA-N 2 0 302.462 2.742 20 0 DFADRP CCO[C@@H]1C[C@H]([NH2+]CC2CC[NH+](CC3CC3)CC2)[C@H]1SC ZINC000597248362 398606741 /nfs/dbraw/zinc/60/67/41/398606741.db2.gz RKWJITOUBMADKA-GVDBMIGSSA-N 2 0 312.523 2.607 20 0 DFADRP CCO[C@@H]1C[C@H]([NH2+]C[C@@H]2CCC[N@H+](CC3CC3)C2)[C@@H]1SC ZINC000597257792 398609377 /nfs/dbraw/zinc/60/93/77/398609377.db2.gz WIEGFJVCRHDQRD-NXOAAHMSSA-N 2 0 312.523 2.607 20 0 DFADRP CC[N@@H+]1CC[C@@H]([NH2+]C[C@@H]2CCN(c3ccccc3)C2)[C@H](C)C1 ZINC000152513726 186080620 /nfs/dbraw/zinc/08/06/20/186080620.db2.gz VWRLJOJIPBGAMI-ZIFCJYIRSA-N 2 0 301.478 2.833 20 0 DFADRP C[C@@H]([NH2+]C[C@@H](O)C(C)(C)C)c1ccc(OCC[NH+](C)C)cc1 ZINC000164014881 186146050 /nfs/dbraw/zinc/14/60/50/186146050.db2.gz MHHKSZMBKKHZDT-RHSMWYFYSA-N 2 0 308.466 2.685 20 0 DFADRP CC[NH+](CC)Cc1ccc(CNC(=O)[C@@H]([NH3+])C(C)(C)C)cc1 ZINC000164080016 186148260 /nfs/dbraw/zinc/14/82/60/186148260.db2.gz QBFGNBLOEJQGEA-MRXNPFEDSA-N 2 0 305.466 2.518 20 0 DFADRP CC[C@@H](C)[C@@H](O)C[NH2+][C@@H](C)c1cccc(OCC[NH+](C)C)c1 ZINC000163937031 186143120 /nfs/dbraw/zinc/14/31/20/186143120.db2.gz DKPBXZSLYSOBQP-VKJFTORMSA-N 2 0 308.466 2.685 20 0 DFADRP C[N@@H+]1CCC[C@H]1CC[NH2+][C@@H](c1ccc2c(c1)OCCO2)C1CC1 ZINC000179725350 186210861 /nfs/dbraw/zinc/21/08/61/186210861.db2.gz ZGHJGTSVOKWNAU-QFBILLFUSA-N 2 0 316.445 2.983 20 0 DFADRP C[C@@H]([NH2+][C@@H]1CCC[C@@H]1CCO)c1ccc(OCC[NH+](C)C)cc1 ZINC000188041226 186248249 /nfs/dbraw/zinc/24/82/49/186248249.db2.gz HTACPYMTRKDKFY-SZVBFZGTSA-N 2 0 320.477 2.829 20 0 DFADRP C[C@H](CCNC(=O)C1([NH3+])CCCCC1)[N@H+](C)Cc1ccccc1 ZINC000237455358 186292268 /nfs/dbraw/zinc/29/22/68/186292268.db2.gz IEVZNNMTTDDRSP-MRXNPFEDSA-N 2 0 317.477 2.675 20 0 DFADRP C[N@@H+]1CCC[C@@H](CC[NH2+]Cc2cnn(Cc3ccccc3)c2)C1 ZINC000459724933 299172810 /nfs/dbraw/zinc/17/28/10/299172810.db2.gz FIMSUOROXOLOAQ-SFHVURJKSA-N 2 0 312.461 2.753 20 0 DFADRP Cc1ccc(-c2n[nH]cc2C[NH2+]CC[C@H]2CCC[N@@H+](C)C2)o1 ZINC000459729271 299174785 /nfs/dbraw/zinc/17/47/85/299174785.db2.gz IWOWOCDXTVNMNA-CQSZACIVSA-N 2 0 302.422 2.800 20 0 DFADRP CC[C@H](Cc1ccc(OC)c(OC)c1)[NH2+][C@H]1CCC[C@H]1C[NH3+] ZINC000414804826 295820934 /nfs/dbraw/zinc/82/09/34/295820934.db2.gz PBXNEZZITCLYQO-XHSDSOJGSA-N 2 0 306.450 2.742 20 0 DFADRP CSc1cc(Br)ccc1C[NH2+]CC[C@@H](C)[NH3+] ZINC000414817503 295821727 /nfs/dbraw/zinc/82/17/27/295821727.db2.gz ASOXGFPIWSYHMF-SECBINFHSA-N 2 0 303.269 2.998 20 0 DFADRP C[N@@H+]1CCC[C@H](CC[NH2+]Cc2cc(Cl)c3c(c2)OCCO3)C1 ZINC000459734874 299176890 /nfs/dbraw/zinc/17/68/90/299176890.db2.gz OSTPDSOJVIMWLK-CYBMUJFWSA-N 2 0 324.852 2.933 20 0 DFADRP Fc1cc(C[NH2+]C[C@@H]2CCC[NH2+]C2)ccc1Br ZINC000414833309 295823825 /nfs/dbraw/zinc/82/38/25/295823825.db2.gz RSHFHXHBBMDGIC-LLVKDONJSA-N 2 0 301.203 2.677 20 0 DFADRP Cc1nn(-c2ccc(Cl)cc2)cc1C[NH2+]CC[C@@H]1CC[NH2+]C1 ZINC000414832773 295823873 /nfs/dbraw/zinc/82/38/73/295823873.db2.gz OUMSTOUSTADMDX-AWEZNQCLSA-N 2 0 318.852 2.923 20 0 DFADRP FC(F)(F)COc1cccc(C[NH2+]CC[C@H]2CC[NH2+]C2)c1 ZINC000414832747 295823968 /nfs/dbraw/zinc/82/39/68/295823968.db2.gz ORLXILXGQCCMMY-GFCCVEGCSA-N 2 0 302.340 2.717 20 0 DFADRP COc1sc(C[NH2+]CC[C@@H]2CC[NH2+]C2)cc1Br ZINC000414836453 295824147 /nfs/dbraw/zinc/82/41/47/295824147.db2.gz SMDQSZFBANNJMO-VIFPVBQESA-N 2 0 319.268 2.608 20 0 DFADRP Fc1cccc(F)c1-c1n[nH]cc1C[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000414836216 295824150 /nfs/dbraw/zinc/82/41/50/295824150.db2.gz UOYSKOFCXVVKHT-FUNVUKJBSA-N 2 0 318.371 2.728 20 0 DFADRP C[C@H]1CCCC[C@@H]1[NH+]1CCC(NC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000414841132 295824875 /nfs/dbraw/zinc/82/48/75/295824875.db2.gz YWWIPCPKJWPOHR-NFEZDNKESA-N 2 0 305.510 2.902 20 0 DFADRP C[NH2+]C[C@H](C)C[NH2+][C@H](C)CC(=O)Nc1ccccc1C(C)C ZINC000414849737 295825753 /nfs/dbraw/zinc/82/57/53/295825753.db2.gz YLCDAJNYGLYTCU-LSDHHAIUSA-N 2 0 305.466 2.972 20 0 DFADRP CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000172047219 198030381 /nfs/dbraw/zinc/03/03/81/198030381.db2.gz HJLNSHYUFDRZMP-MRXNPFEDSA-N 2 0 318.465 2.554 20 0 DFADRP COCCOc1ccc(C[NH2+]CC[C@H]2CCC[N@H+](C)C2)cc1 ZINC000459747021 299180385 /nfs/dbraw/zinc/18/03/85/299180385.db2.gz ZNMABMAWEPLFTO-QGZVFWFLSA-N 2 0 306.450 2.533 20 0 DFADRP C[NH+](C)[C@H]1CCC[N@H+](CCC(=O)Nc2ccc(F)cc2)CC1 ZINC000277210148 213370020 /nfs/dbraw/zinc/37/00/20/213370020.db2.gz NDTYAPKKYLEKNK-INIZCTEOSA-N 2 0 307.413 2.570 20 0 DFADRP COc1ccc(C[NH2+]C[C@H](C)C[NH3+])cc1OCc1ccccc1 ZINC000414886398 295830223 /nfs/dbraw/zinc/83/02/23/295830223.db2.gz YABZYMTZXSCHJR-OAHLLOKOSA-N 2 0 314.429 2.959 20 0 DFADRP CCCOc1ccc(Br)cc1C[NH2+]C[C@@H](C)C[NH3+] ZINC000414888441 295830416 /nfs/dbraw/zinc/83/04/16/295830416.db2.gz RSNNBVQAGYXDOZ-NSHDSACASA-N 2 0 315.255 2.922 20 0 DFADRP CCCOc1c(Cl)cc(C[NH2+]CCCC[NH3+])cc1OC ZINC000414912381 295834052 /nfs/dbraw/zinc/83/40/52/295834052.db2.gz UJAHMYNJVGLIDC-UHFFFAOYSA-N 2 0 300.830 2.966 20 0 DFADRP Cc1cccc(NC(=O)C[C@@H](C)[NH2+]CC2(C)CC[NH2+]CC2)c1C ZINC000414914869 295834377 /nfs/dbraw/zinc/83/43/77/295834377.db2.gz YTPFUDIDMQPNSM-OAHLLOKOSA-N 2 0 317.477 3.000 20 0 DFADRP CC(C)c1ccccc1NC(=O)C[C@@H](C)[NH2+]C[C@@H]1CC[NH2+]C1 ZINC000414916230 295834445 /nfs/dbraw/zinc/83/44/45/295834445.db2.gz PEAVQLMDOVGRJZ-HUUCEWRRSA-N 2 0 303.450 2.726 20 0 DFADRP C[C@@H]1C[C@@H]([NH2+]CC2CCN(c3ccccc3)CC2)CC[N@@H+]1C ZINC000280113129 215385502 /nfs/dbraw/zinc/38/55/02/215385502.db2.gz NSOPOFVARHSZHO-AEFFLSMTSA-N 2 0 301.478 2.975 20 0 DFADRP C[C@H]1C[C@@H]([NH2+]Cc2cn(C)nc2-c2ccccc2Cl)CC[NH2+]1 ZINC000414951678 295839628 /nfs/dbraw/zinc/83/96/28/295839628.db2.gz PYGQIGLCCPKONQ-JSGCOSHPSA-N 2 0 318.852 2.971 20 0 DFADRP C[N@@H+]1CCC[C@H](CC[NH2+]C2CCN(CCC(F)(F)F)CC2)C1 ZINC000459771030 299187969 /nfs/dbraw/zinc/18/79/69/299187969.db2.gz IBBBVHYYCGECRP-CQSZACIVSA-N 2 0 321.431 2.725 20 0 DFADRP Cn1cc(C[NH2+]CCC[C@@H]2CCC[NH2+]2)c(-c2cccs2)n1 ZINC000414971496 295842802 /nfs/dbraw/zinc/84/28/02/295842802.db2.gz LLJLGCCLSLESLP-CQSZACIVSA-N 2 0 304.463 2.770 20 0 DFADRP CC(C)[N@H+](C)CC1CC[NH+](CC(=O)N2C[C@H](C)C[C@H](C)C2)CC1 ZINC000590786998 398673855 /nfs/dbraw/zinc/67/38/55/398673855.db2.gz QCHMZFZLTIUVKV-CALCHBBNSA-N 2 0 323.525 2.543 20 0 DFADRP C[C@H](CCC1CCCC1)[NH2+]C[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000414995249 295844862 /nfs/dbraw/zinc/84/48/62/295844862.db2.gz VWUSLGJTBDKHGP-HIFRSBDPSA-N 2 0 321.431 2.771 20 0 DFADRP C[C@H](CCC[NH3+])[NH2+]Cc1ccc(OCC(F)(F)F)c(F)c1 ZINC000415015652 295847568 /nfs/dbraw/zinc/84/75/68/295847568.db2.gz BAHPFXJWVSLDOT-SNVBAGLBSA-N 2 0 308.319 2.984 20 0 DFADRP CCOC(=O)[C@@H]1CC[C@@H]([NH2+]C[C@H]2CC[C@H](C[NH3+])CC2)C[C@H]1C ZINC000415018791 295847619 /nfs/dbraw/zinc/84/76/19/295847619.db2.gz CIQPYDYEPNKYDZ-WRQOLXDDSA-N 2 0 310.482 2.709 20 0 DFADRP C[C@H](CC(=O)Nc1cccc(F)c1)[NH2+]C[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000415013248 295847283 /nfs/dbraw/zinc/84/72/83/295847283.db2.gz YHCXHXBOWRPLJW-UMVBOHGHSA-N 2 0 307.413 2.650 20 0 DFADRP Cc1ccccc1NC(=O)C[C@H](C)[NH2+]C[C@H]1CCC[C@H]([NH3+])C1 ZINC000415012472 295847401 /nfs/dbraw/zinc/84/74/01/295847401.db2.gz XIEOAGQFSPGSFK-JYJNAYRXSA-N 2 0 303.450 2.819 20 0 DFADRP Cn1cc(C[NH2+][C@@H]2CC[C@H](C[NH3+])C2)c(-c2ccccc2Cl)n1 ZINC000415035554 295849526 /nfs/dbraw/zinc/84/95/26/295849526.db2.gz KUIBYOHEHKPJTH-GXTWGEPZSA-N 2 0 318.852 2.958 20 0 DFADRP C[C@H]([NH2+]CCCN1CCC[N@H+](C)CC1)c1ccc(F)c(F)c1 ZINC000173391667 198209763 /nfs/dbraw/zinc/20/97/63/198209763.db2.gz WROWULJARBLIPU-AWEZNQCLSA-N 2 0 311.420 2.643 20 0 DFADRP C[C@@H]([NH2+]CCc1ccccc1OC(F)(F)F)[C@@H]1CC[NH2+]C1 ZINC000415078880 295855285 /nfs/dbraw/zinc/85/52/85/295855285.db2.gz HBZPNEMUTPIEPI-DGCLKSJQSA-N 2 0 302.340 2.715 20 0 DFADRP COCCC[NH+]1CCC([NH2+]C[C@H](C)Cc2ccccc2)CC1 ZINC000182057898 199380508 /nfs/dbraw/zinc/38/05/08/199380508.db2.gz KNAKFPFITQQCSD-QGZVFWFLSA-N 2 0 304.478 2.956 20 0 DFADRP COc1ccc(C[NH2+]CC2CC[NH2+]CC2)c(C(F)(F)F)c1 ZINC000415084404 295855868 /nfs/dbraw/zinc/85/58/68/295855868.db2.gz PCYBOSSJPRQAGS-UHFFFAOYSA-N 2 0 302.340 2.803 20 0 DFADRP C[C@H](C[C@@H]1CCC[NH2+]1)[NH2+]Cc1ccc(N2CCC(C)CC2)nc1 ZINC000415081259 295855680 /nfs/dbraw/zinc/85/56/80/295855680.db2.gz KENWPTYXMGUFLQ-AEFFLSMTSA-N 2 0 316.493 2.938 20 0 DFADRP COc1ccc(CC[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)cc1F ZINC000415087628 295856508 /nfs/dbraw/zinc/85/65/08/295856508.db2.gz WGYMMVXCXREZLI-OIISXLGYSA-N 2 0 306.425 2.887 20 0 DFADRP c1cn(Cc2ccc(C[NH2+][C@@H]3CCC[C@H]3[C@H]3CCC[NH2+]3)cc2)cn1 ZINC000415091671 295856706 /nfs/dbraw/zinc/85/67/06/295856706.db2.gz ZOOTZJMTIIDIDC-XUVXKRRUSA-N 2 0 324.472 2.942 20 0 DFADRP Cc1cc(C)c(C[NH2+]CCCN2CCC[N@@H+](C)CC2)cc1C ZINC000105477049 398693480 /nfs/dbraw/zinc/69/34/80/398693480.db2.gz NCVOFCDTOUXRTH-UHFFFAOYSA-N 2 0 303.494 2.729 20 0 DFADRP C[C@H]([NH2+][C@H]1CCCN(c2ccccc2Cl)C1)[C@H]1CC[NH2+]C1 ZINC000415090810 295856885 /nfs/dbraw/zinc/85/68/85/295856885.db2.gz ZQIJZSGEBUBFDR-KKUMJFAQSA-N 2 0 307.869 2.896 20 0 DFADRP CC[NH+]1CCN(c2ccc(N[C@@H](C)[C@H]3CC[NH2+]C3)c(C)c2)CC1 ZINC000415111438 295859475 /nfs/dbraw/zinc/85/94/75/295859475.db2.gz BZFGUFOKHAIRPT-IRXDYDNUSA-N 2 0 316.493 2.547 20 0 DFADRP [NH3+][C@@H]1CCO[C@H](C2CC[NH+](Cc3cc(F)ccc3F)CC2)C1 ZINC000415117889 295860174 /nfs/dbraw/zinc/86/01/74/295860174.db2.gz CMPMSZIWQHGNAH-WBVHZDCISA-N 2 0 310.388 2.683 20 0 DFADRP C[C@@H]1CCC[C@H]1[NH2+]CC1(N)CC[NH+](Cc2ccccc2)CC1 ZINC000415132674 295862751 /nfs/dbraw/zinc/86/27/51/295862751.db2.gz LLJRFMBBQOWAJS-SJLPKXTDSA-N 2 0 301.478 2.758 20 0 DFADRP [NH3+][C@@H]1CCO[C@H](C2CC[NH+](C/C=C/c3ccccc3)CC2)C1 ZINC000415131058 295862566 /nfs/dbraw/zinc/86/25/66/295862566.db2.gz YKNBJHIZQQLEEF-AXHCFYFUSA-N 2 0 300.446 2.918 20 0 DFADRP CCO[C@@H](CC[NH+](C)C)C[NH2+][C@H]1CCCOc2cc(F)ccc21 ZINC000182113495 199388617 /nfs/dbraw/zinc/38/86/17/199388617.db2.gz VGPRTELPUVEIMF-RDJZCZTQSA-N 2 0 324.440 2.986 20 0 DFADRP CC[NH+](CC)[C@H](CNC(=O)C1CC[NH+](C)CC1)c1ccsc1 ZINC000174625955 198361966 /nfs/dbraw/zinc/36/19/66/198361966.db2.gz ZMJWFUJHRBGSFJ-MRXNPFEDSA-N 2 0 323.506 2.589 20 0 DFADRP Cc1ccc(C[NH+]2CCC([C@@H]3OCCC[C@H]3[NH3+])CC2)cc1F ZINC000415137203 295863617 /nfs/dbraw/zinc/86/36/17/295863617.db2.gz XYFLJNFYJHCQOL-MSOLQXFVSA-N 2 0 306.425 2.852 20 0 DFADRP FC(F)(F)CN1CCC([NH2+]C2CC[NH+](C3CCC3)CC2)CC1 ZINC000358675660 282907356 /nfs/dbraw/zinc/90/73/56/282907356.db2.gz JBZIZBLAHQXZPC-UHFFFAOYSA-N 2 0 319.415 2.620 20 0 DFADRP CC[C@H](c1ccc(F)cc1)[N@H+](C)CCCN1CC[NH+](C)CC1 ZINC000174727379 198376721 /nfs/dbraw/zinc/37/67/21/198376721.db2.gz ILMIAUSGJAMUGG-GOSISDBHSA-N 2 0 307.457 2.846 20 0 DFADRP CCC([NH3+])(CC)CNC(=O)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000236788595 202009260 /nfs/dbraw/zinc/00/92/60/202009260.db2.gz FOKDMNWQGSZJKG-QGZVFWFLSA-N 2 0 317.477 2.532 20 0 DFADRP C[NH+](C)[C@H]1CCc2cc(NC(=O)NC3CCC([NH3+])CC3)ccc21 ZINC000332536803 235068857 /nfs/dbraw/zinc/06/88/57/235068857.db2.gz BCSOLMIRMOOPEC-KVULBXGLSA-N 2 0 316.449 2.627 20 0 DFADRP CN(CC[N@@H+]1CC[C@H](CNc2ccccn2)C1)c1ccccc1 ZINC000131300659 283079431 /nfs/dbraw/zinc/07/94/31/283079431.db2.gz DLCLDAHNCCNEKP-QGZVFWFLSA-N 2 0 310.445 2.952 20 0 DFADRP C[NH2+]Cc1ccccc1NC(=O)NC[C@@H](C)C[NH+]1CCCCC1 ZINC000415901413 295899893 /nfs/dbraw/zinc/89/98/93/295899893.db2.gz MYZICYIGEKBHHI-OAHLLOKOSA-N 2 0 318.465 2.650 20 0 DFADRP COC(=O)c1ccc(CN2CC[C@H](Oc3ccncc3)C2)s1 ZINC000131807066 283100307 /nfs/dbraw/zinc/10/03/07/283100307.db2.gz FVKYWKXORXDBTG-ZDUSSCGKSA-N 2 0 318.398 2.583 20 0 DFADRP CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@@H]2CC[NH2+]C3(CCC3)C2)C[C@@H]1C ZINC000591282623 398745205 /nfs/dbraw/zinc/74/52/05/398745205.db2.gz HUUABTLMQYOZSP-CAOSSQGBSA-N 2 0 308.466 2.619 20 0 DFADRP CCC[N@@H+](CC(=O)Nc1ccccc1C)CC1CC[NH2+]CC1 ZINC000236971958 283106115 /nfs/dbraw/zinc/10/61/15/283106115.db2.gz RDQBTGMWVBBPNJ-UHFFFAOYSA-N 2 0 303.450 2.645 20 0 DFADRP CC[NH2+]Cc1ccccc1NC(=O)NC[C@H](C)[NH+](CC)CC ZINC000415941732 295905019 /nfs/dbraw/zinc/90/50/19/295905019.db2.gz HJAJMBZDUKNFNN-AWEZNQCLSA-N 2 0 306.454 2.648 20 0 DFADRP CC[NH2+]Cc1ccccc1NC(=O)N1CC[C@H]([NH+](CC)CC)C1 ZINC000415953993 295905875 /nfs/dbraw/zinc/90/58/75/295905875.db2.gz LRZPMLMDYOABQP-INIZCTEOSA-N 2 0 318.465 2.744 20 0 DFADRP C[NH2+]Cc1ccc(NC(=O)N[C@H](C)C(C)(C)C[NH+](C)C)cc1 ZINC000415973855 295907585 /nfs/dbraw/zinc/90/75/85/295907585.db2.gz PIBQFTMEIYLGRS-CYBMUJFWSA-N 2 0 306.454 2.504 20 0 DFADRP Cc1ccc2c(c1)[C@H]([NH2+]C[C@H](C(C)C)N1CC[NH+](C)CC1)CC2 ZINC000132518446 283121920 /nfs/dbraw/zinc/12/19/20/283121920.db2.gz XOZLATMZEATSAX-WOJBJXKFSA-N 2 0 315.505 2.844 20 0 DFADRP CC[NH+](CC)Cc1ccc(C(=O)NC2CC[NH+](CC)CC2)cc1 ZINC000047933121 398765250 /nfs/dbraw/zinc/76/52/50/398765250.db2.gz YGLOHJJSUBOBLX-UHFFFAOYSA-N 2 0 317.477 2.743 20 0 DFADRP CC[NH+](CC)[C@@H](CNC(=O)[C@@H]([NH3+])CC(C)C)c1ccccc1 ZINC000236827210 202028496 /nfs/dbraw/zinc/02/84/96/202028496.db2.gz HUSXUXHDHHJDGQ-IRXDYDNUSA-N 2 0 305.466 2.559 20 0 DFADRP CCC[N@H+](C)C[C@H]1CC[NH+](CCc2ccc3c(c2)CCO3)C1 ZINC000081516938 192276356 /nfs/dbraw/zinc/27/63/56/192276356.db2.gz KPCBXAYBSQFFLT-QGZVFWFLSA-N 2 0 302.462 2.828 20 0 DFADRP CCC[N@H+](C)C[C@@H]1CC[NH+](CCC(=O)Nc2ccccc2C)C1 ZINC000081516906 192277484 /nfs/dbraw/zinc/27/74/84/192277484.db2.gz DTLHFYQDWBSFOP-KRWDZBQOSA-N 2 0 317.477 2.987 20 0 DFADRP CCOC(=O)[C@@H]1CC[C@@H]([NH2+][C@H]2CCC[NH2+]CC2)c2ccccc21 ZINC000591578217 398772883 /nfs/dbraw/zinc/77/28/83/398772883.db2.gz AHBNMQMOCIFTSL-BMGDILEWSA-N 2 0 316.445 2.900 20 0 DFADRP CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@@H]2CCC[NH2+]CC2)c2ccccc21 ZINC000591578218 398773208 /nfs/dbraw/zinc/77/32/08/398773208.db2.gz AHBNMQMOCIFTSL-OLMNPRSZSA-N 2 0 316.445 2.900 20 0 DFADRP CC[NH+](CC)[C@H](C(=O)N1CCC[C@H]([C@@H](C)[NH3+])C1)c1ccccc1 ZINC000236864291 202042342 /nfs/dbraw/zinc/04/23/42/202042342.db2.gz OVTKYSQZWWITEE-NJAFHUGGSA-N 2 0 317.477 2.655 20 0 DFADRP CCN1CC[NH+](CCCC[NH2+]C[C@@H](C)c2ccccc2)CC1 ZINC000236875924 202048242 /nfs/dbraw/zinc/04/82/42/202048242.db2.gz KEOQLXIXJXUSKX-GOSISDBHSA-N 2 0 303.494 2.797 20 0 DFADRP CC[NH+](CC)[C@H](CNC(=O)[C@H]1CCC[C@@H]([NH3+])C1)c1ccsc1 ZINC000236885032 202050741 /nfs/dbraw/zinc/05/07/41/202050741.db2.gz GWALBDDQXDMJMC-NUEKZKHPSA-N 2 0 323.506 2.765 20 0 DFADRP CC[NH+](CC)Cc1cccc(NC(=O)[C@@H]2CCC[C@@H]([NH3+])C2)c1 ZINC000236928926 202076460 /nfs/dbraw/zinc/07/64/60/202076460.db2.gz IZELLNBJMADMGN-HZPDHXFCSA-N 2 0 303.450 2.984 20 0 DFADRP CC[C@@H](C)[C@H]([NH3+])C(=O)NCc1ccccc1C[NH+](CC)CC ZINC000236948019 202088937 /nfs/dbraw/zinc/08/89/37/202088937.db2.gz RDPDXFVYGXHMCA-PBHICJAKSA-N 2 0 305.466 2.518 20 0 DFADRP CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)C(CC)(CC)C[NH3+])C1 ZINC000237037222 202131506 /nfs/dbraw/zinc/13/15/06/202131506.db2.gz HZZKPVQLCDOFSX-HNNXBMFYSA-N 2 0 311.514 2.768 20 0 DFADRP CCC[NH+]1CCC(NC[C@@H](c2cccc(F)c2)[NH+](C)C)CC1 ZINC000121597819 398788221 /nfs/dbraw/zinc/78/82/21/398788221.db2.gz ROIMFJISJVMYIU-SFHVURJKSA-N 2 0 307.457 2.892 20 0 DFADRP Cc1ccc(C[NH+](C)C)cc1NC(=O)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000237065514 202141155 /nfs/dbraw/zinc/14/11/55/202141155.db2.gz MKMRHEZIZFUJDS-ALOPSCKCSA-N 2 0 315.461 2.916 20 0 DFADRP CS[C@@H]1CC[C@H]1[NH2+][C@@H]1CCCN(c2cc(C)nc(C)n2)C1 ZINC000591835637 398793987 /nfs/dbraw/zinc/79/39/87/398793987.db2.gz YEEKFTZACFUCNS-RBSFLKMASA-N 2 0 306.479 2.546 20 0 DFADRP C[NH2+]CCCC(=O)NCc1ccccc1C[NH+]1CCCCCC1 ZINC000237182466 202178303 /nfs/dbraw/zinc/17/83/03/202178303.db2.gz JIMVVNXATGVOQN-UHFFFAOYSA-N 2 0 317.477 2.678 20 0 DFADRP CC(C)C[NH+]1CCC([NH2+]CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000123131137 398796624 /nfs/dbraw/zinc/79/66/24/398796624.db2.gz YWFUHPPXSNTRBR-UHFFFAOYSA-N 2 0 305.422 2.847 20 0 DFADRP CC(C)[C@@H](c1nc(-c2ccc(C[NH+](C)C)cc2)no1)[C@@H](C)[NH3+] ZINC000416398792 295946740 /nfs/dbraw/zinc/94/67/40/295946740.db2.gz FUFDNJGIUUDZQI-IUODEOHRSA-N 2 0 302.422 2.885 20 0 DFADRP C[NH2+]CCCC(=O)NCc1ccccc1C[N@@H+]1CCC[C@H](C)C1 ZINC000178690741 198912047 /nfs/dbraw/zinc/91/20/47/198912047.db2.gz VGFVCXQJBFHANZ-INIZCTEOSA-N 2 0 317.477 2.534 20 0 DFADRP O=C(Nc1ccc(C[NH+]2CCCCCC2)cc1)[C@@H]1CCC[NH2+]1 ZINC000178742116 198921332 /nfs/dbraw/zinc/92/13/32/198921332.db2.gz CEPKNXGYZKFLCE-KRWDZBQOSA-N 2 0 301.434 2.753 20 0 DFADRP CC[N@@H+]1CC[C@H]([NH2+]Cc2cccc(Cn3ccnc3)c2)[C@H](C)C1 ZINC000151322621 283281348 /nfs/dbraw/zinc/28/13/48/283281348.db2.gz SWAPUSNEEBBGRG-APWZRJJASA-N 2 0 312.461 2.751 20 0 DFADRP C[N@H+](CCC1CCN(c2cc[nH+]cc2)CC1)C[C@@H]1CCCO1 ZINC000179391213 199026957 /nfs/dbraw/zinc/02/69/57/199026957.db2.gz KRIMSAXNFQKPOV-SFHVURJKSA-N 2 0 303.450 2.799 20 0 DFADRP CC(C)[C@H](C[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1)C(=O)OC(C)(C)C ZINC000594510520 398812517 /nfs/dbraw/zinc/81/25/17/398812517.db2.gz AFNFLQNAHQSKRZ-XHSDSOJGSA-N 2 0 310.482 2.817 20 0 DFADRP C[NH+](C/C=C/C[N@@H+](C)C[C@@H]1CCCCO1)C[C@@H]1CCCCO1 ZINC000126006125 398810832 /nfs/dbraw/zinc/81/08/32/398810832.db2.gz MUANJHOPPBUWCP-ZBKUBXTQSA-N 2 0 310.482 2.544 20 0 DFADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@@H](C(=O)OC(C)(C)C)C(C)C)[C@H](C)C1 ZINC000594520569 398815483 /nfs/dbraw/zinc/81/54/83/398815483.db2.gz JLUILCWAVPANFE-OAGGEKHMSA-N 2 0 312.498 2.920 20 0 DFADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@H](C(=O)OC(C)(C)C)C(C)C)[C@@H](C)C1 ZINC000594520568 398815638 /nfs/dbraw/zinc/81/56/38/398815638.db2.gz JLUILCWAVPANFE-JYJNAYRXSA-N 2 0 312.498 2.920 20 0 DFADRP COc1ccccc1OC[C@H](C)C[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000179512773 199048632 /nfs/dbraw/zinc/04/86/32/199048632.db2.gz IHCPVTUGHGWYPW-BZUAXINKSA-N 2 0 306.450 2.782 20 0 DFADRP COC(=O)C[C@@H]1CC[C@H]([NH2+]C[C@H]2CCC[N@@H+](C(C)C)C2)[C@@H]1C ZINC000354327354 291122166 /nfs/dbraw/zinc/12/21/66/291122166.db2.gz GUTGRZGKNMFCRG-NCOADZHNSA-N 2 0 310.482 2.674 20 0 DFADRP Cc1ccc(C)c(C[NH+]2CCC(C[NH+]3CCOCC3)CC2)c1 ZINC000051958618 398828137 /nfs/dbraw/zinc/82/81/37/398828137.db2.gz FYDLZAZBDQCMCB-UHFFFAOYSA-N 2 0 302.462 2.848 20 0 DFADRP CC[C@@H]([NH2+]CCCN1CC[NH+](CC)CC1)c1ccccc1F ZINC000180109217 199118278 /nfs/dbraw/zinc/11/82/78/199118278.db2.gz MOKSUSMSOYBLTK-GOSISDBHSA-N 2 0 307.457 2.894 20 0 DFADRP CC[NH+]1CCN(CCC[NH2+][C@@H]2c3cc(C)ccc3C[C@@H]2C)CC1 ZINC000180109504 199118759 /nfs/dbraw/zinc/11/87/59/199118759.db2.gz NVWVXTZITRVWEF-PXNSSMCTSA-N 2 0 315.505 2.846 20 0 DFADRP CCC[C@@H](O)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000180139136 199122034 /nfs/dbraw/zinc/12/20/34/199122034.db2.gz NDHVIYILBLJWHH-XVLXNVKGSA-N 2 0 302.462 2.933 20 0 DFADRP COCC[C@@H](C)[NH2+][C@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000180162871 199124836 /nfs/dbraw/zinc/12/48/36/199124836.db2.gz TWIBGGAABZRWFV-BVBHFADKSA-N 2 0 302.462 2.912 20 0 DFADRP CCC[C@]1(C)CCC[N@H+](CC(=O)NC2CC[NH+](C(C)C)CC2)C1 ZINC000076145534 398843616 /nfs/dbraw/zinc/84/36/16/398843616.db2.gz FWRVVKOEJYUOEH-LJQANCHMSA-N 2 0 323.525 2.878 20 0 DFADRP CC[C@@H]([NH3+])C(=O)NCc1ccc(C[N@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000130320714 398844124 /nfs/dbraw/zinc/84/41/24/398844124.db2.gz RRKSAPWGIXHVFE-RVKKMQEKSA-N 2 0 317.477 2.518 20 0 DFADRP COC(=O)[C@@H]1C[C@@H]1[C@@H](C)[NH2+]Cc1cccc(C[N@H+](C)C(C)C)c1 ZINC000594917027 398870581 /nfs/dbraw/zinc/87/05/81/398870581.db2.gz FXVOWDWNZDFFLR-ZTFGCOKTSA-N 2 0 318.461 2.814 20 0 DFADRP COC(=O)[C@@H]1C[C@@H]1[C@H](C)[NH2+]CCCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000594926855 398873114 /nfs/dbraw/zinc/87/31/14/398873114.db2.gz WJNLUTGISNAPDS-NQNKBUKLSA-N 2 0 310.482 2.532 20 0 DFADRP C[C@@H](CC(=O)NCCCC[N@@H+]1CCCC[C@@H]1C)C1CC[NH2+]CC1 ZINC000237422378 202260548 /nfs/dbraw/zinc/26/05/48/202260548.db2.gz GXDQLOSBYPEODN-IRXDYDNUSA-N 2 0 323.525 2.783 20 0 DFADRP C[C@@H](CC(C)(C)c1ccccc1)[NH2+]CCCN1CC[NH+](C)CC1 ZINC000237419253 202261135 /nfs/dbraw/zinc/26/11/35/202261135.db2.gz PHQAXKITQCSITD-SFHVURJKSA-N 2 0 317.521 2.970 20 0 DFADRP CC[N@H+](Cc1ccc(C(=O)N2C[C@@H](C)[NH2+][C@H](C)C2)cc1)C(C)C ZINC000153681825 283373973 /nfs/dbraw/zinc/37/39/73/283373973.db2.gz FWZHYCZCEZWQAJ-HZPDHXFCSA-N 2 0 317.477 2.739 20 0 DFADRP CC(C)(C)OC(=O)C1(C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)CCC1 ZINC000594993073 398887989 /nfs/dbraw/zinc/88/79/89/398887989.db2.gz ADMVDZYHAVZFCB-GJZGRUSLSA-N 2 0 308.466 2.715 20 0 DFADRP C[C@H](CSCCF)[NH2+]CCCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000595019669 398893423 /nfs/dbraw/zinc/89/34/23/398893423.db2.gz PBOCNVQTFDSPBK-RBSFLKMASA-N 2 0 306.491 2.557 20 0 DFADRP CCC[NH2+][C@H](C)C(=O)NC[C@H](c1ccc(C)cc1)[NH+]1CCCC1 ZINC000294719308 283398416 /nfs/dbraw/zinc/39/84/16/283398416.db2.gz BRVZHXWITNZJPK-SJLPKXTDSA-N 2 0 317.477 2.636 20 0 DFADRP COC(=O)CC(C)(C)C[C@@H](C)[NH2+]C1CC([NH+]2CCCCC2)C1 ZINC000595055096 398899095 /nfs/dbraw/zinc/89/90/95/398899095.db2.gz RURGOXLBUPHYHB-QQFBHYJXSA-N 2 0 310.482 2.961 20 0 DFADRP C[C@H]([NH2+]CC1(C(=O)OC(C)(C)C)CCC1)C1CC[NH+](C)CC1 ZINC000595099368 398905297 /nfs/dbraw/zinc/90/52/97/398905297.db2.gz LXEMHFGHJMLJSH-AWEZNQCLSA-N 2 0 310.482 2.818 20 0 DFADRP CC[NH+]1CCN([C@H]2CC[N@H+](CCCCc3ccccc3)C2)CC1 ZINC000187002443 200046282 /nfs/dbraw/zinc/04/62/82/200046282.db2.gz UPZJJRLMWDHNDL-FQEVSTJZSA-N 2 0 315.505 2.721 20 0 DFADRP COC(=O)CC1CCC([NH2+]CCC[NH+]2CCC(C)CC2)CC1 ZINC000599021961 398908649 /nfs/dbraw/zinc/90/86/49/398908649.db2.gz LXUKIPGMQFKEFK-UHFFFAOYSA-N 2 0 310.482 2.820 20 0 DFADRP Cc1cccn2cc(CNC(=O)[C@@H](C)[C@H]([NH3+])c3ccccc3)nc12 ZINC000237579400 202290517 /nfs/dbraw/zinc/29/05/17/202290517.db2.gz XGEXQVXWAJMVOH-YOEHRIQHSA-N 2 0 322.412 2.595 20 0 DFADRP C[C@@H](C[NH2+]CCCN1CC[NH+](C)CC1)c1cccc(Cl)c1 ZINC000188241824 200214498 /nfs/dbraw/zinc/21/44/98/200214498.db2.gz JEULPNXMTQBFCG-HNNXBMFYSA-N 2 0 309.885 2.671 20 0 DFADRP C[C@@H]1CN(C2CC2)C[C@H]1[NH2+]CCc1ccccc1OC(F)F ZINC000471779351 299303565 /nfs/dbraw/zinc/30/35/65/299303565.db2.gz JBGYNDJORQZIII-IUODEOHRSA-N 2 0 310.388 2.903 20 0 DFADRP C[C@H]1CN(C2CC2)C[C@H]1[NH2+]CCc1ccccc1OC(F)F ZINC000471779353 299303776 /nfs/dbraw/zinc/30/37/76/299303776.db2.gz JBGYNDJORQZIII-SWLSCSKDSA-N 2 0 310.388 2.903 20 0 DFADRP CCCC[N@H+](C)CC1CC[NH+](CCOC[C@@H]2CCCO2)CC1 ZINC000152323046 398930507 /nfs/dbraw/zinc/93/05/07/398930507.db2.gz SOLOIYVWPBARLE-SFHVURJKSA-N 2 0 312.498 2.626 20 0 DFADRP CC[NH+]1CCN(CCC[NH2+][C@@H](C)[C@@H]2C[C@H]2c2cccs2)CC1 ZINC000417325292 296010121 /nfs/dbraw/zinc/01/01/21/296010121.db2.gz QMMKIECWWOVMLY-YESZJQIVSA-N 2 0 321.534 2.857 20 0 DFADRP C[C@@]1(O)C[C@H]([NH2+][C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)C1 ZINC000417391924 296016272 /nfs/dbraw/zinc/01/62/72/296016272.db2.gz AZADCZJJKDAKDO-CENDIDJXSA-N 2 0 314.473 2.790 20 0 DFADRP Cn1cncc1C[N@@H+]1CCCC[C@@H]1[C@@H](C[NH3+])Cc1ccccc1 ZINC000471866456 299311100 /nfs/dbraw/zinc/31/11/00/299311100.db2.gz UIJUPZRUFXXBRT-IEBWSBKVSA-N 2 0 312.461 2.592 20 0 DFADRP COC(=O)CCCC[N@@H+]1CCC[C@@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000599296327 398949951 /nfs/dbraw/zinc/94/99/51/398949951.db2.gz UYUYCRZKUMRSCP-IAGOWNOFSA-N 2 0 310.482 2.916 20 0 DFADRP COCCc1nc(C)c([C@H](C)[NH2+]CC2=CC[N@H+](C)CC2)s1 ZINC000271896501 209305665 /nfs/dbraw/zinc/30/56/65/209305665.db2.gz UHZAOUPBDSNXST-LBPRGKRZSA-N 2 0 309.479 2.553 20 0 DFADRP COCCc1nc(C)c([C@@H](C)[NH2+]CC2=CC[N@H+](C)CC2)s1 ZINC000271896499 209305041 /nfs/dbraw/zinc/30/50/41/209305041.db2.gz UHZAOUPBDSNXST-GFCCVEGCSA-N 2 0 309.479 2.553 20 0 DFADRP Nc1cc(C[NH+]2CCC(CCC[NH+]3CCCC3)CC2)ccn1 ZINC000193445622 201051815 /nfs/dbraw/zinc/05/18/15/201051815.db2.gz DHODQLNPRBVTKK-UHFFFAOYSA-N 2 0 302.466 2.752 20 0 DFADRP COC(=O)c1cccc(C[NH+]2CCC(CC[NH+](C)C)CC2)c1 ZINC000056525364 398977477 /nfs/dbraw/zinc/97/74/77/398977477.db2.gz MPRUIQJTAYONAZ-UHFFFAOYSA-N 2 0 304.434 2.637 20 0 DFADRP C[C@@H]([NH2+]CCOCC[NH+](C)C)[C@@H](C)c1nc2ccccc2s1 ZINC000447594097 297309941 /nfs/dbraw/zinc/30/99/41/297309941.db2.gz WWTQRXYVPHKUJW-ZIAGYGMSSA-N 2 0 321.490 2.956 20 0 DFADRP C[C@H](C[NH2+]CC[C@@H](C)c1ccccc1)CN1CC[NH+](C)CC1 ZINC000194415083 201222481 /nfs/dbraw/zinc/22/24/81/201222481.db2.gz PVWSGINSTCEAHC-QZTJIDSGSA-N 2 0 303.494 2.653 20 0 DFADRP COc1ccc(C[C@@H](C)C[N@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)cc1F ZINC000194541693 201246991 /nfs/dbraw/zinc/24/69/91/201246991.db2.gz ALBAYXDLQJOOTJ-BMFZPTHFSA-N 2 0 306.425 2.506 20 0 DFADRP C[C@@H](NC(=O)C[NH+]1CCC(C)CC1)[C@H](c1ccccc1)[NH+](C)C ZINC000186484239 296047353 /nfs/dbraw/zinc/04/73/53/296047353.db2.gz IDKZOVDIVKCBEO-VQIMIIECSA-N 2 0 317.477 2.526 20 0 DFADRP Cc1ccc(C[NH2+]C[C@@H](C)CN2CC[NH+](C)CC2)cc1Cl ZINC000195441354 201390452 /nfs/dbraw/zinc/39/04/52/201390452.db2.gz NFRMKUKQKCBIBT-CQSZACIVSA-N 2 0 309.885 2.622 20 0 DFADRP CC(C)(C(=O)N[C@@H](C[NH3+])C1CCCCC1)[C@H]([NH3+])c1ccccc1 ZINC000417800395 296052330 /nfs/dbraw/zinc/05/23/30/296052330.db2.gz SOGCASGBLSWAMM-DLBZAZTESA-N 2 0 317.477 2.736 20 0 DFADRP CCc1cccc(F)c1C[NH2+]C[C@@H](C(C)C)N1CC[NH+](C)CC1 ZINC000474474797 299337326 /nfs/dbraw/zinc/33/73/26/299337326.db2.gz UPGYVKQQTISHBD-IBGZPJMESA-N 2 0 321.484 2.750 20 0 DFADRP CCc1ccccc1[C@H]([NH3+])CNC(=O)CC1(C[NH3+])CCCCC1 ZINC000417825963 296055287 /nfs/dbraw/zinc/05/52/87/296055287.db2.gz CXUPDOJUNJNSNR-QGZVFWFLSA-N 2 0 317.477 2.664 20 0 DFADRP C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)CC[C@@H]2CCC[NH2+]C2)C1 ZINC000621642252 399006255 /nfs/dbraw/zinc/00/62/55/399006255.db2.gz JAGYUUMDOYJVFT-BBWFWOEESA-N 2 0 323.525 2.639 20 0 DFADRP C[NH+](C)C1(CNC(=O)CC[C@@H]2CCC[NH2+]C2)CCCCCC1 ZINC000621641527 399006525 /nfs/dbraw/zinc/00/65/25/399006525.db2.gz NAUIKHJDKXQXFC-INIZCTEOSA-N 2 0 309.498 2.537 20 0 DFADRP O=C(CC[C@@H]1CCC[NH2+]C1)NC1CC[NH+](CC2CCCC2)CC1 ZINC000621642760 399007608 /nfs/dbraw/zinc/00/76/08/399007608.db2.gz VIKDIDZAHUBHSZ-INIZCTEOSA-N 2 0 321.509 2.537 20 0 DFADRP C[NH+](C)CCc1ccc(NC(=O)CC[C@@H]2CCC[NH2+]C2)cc1 ZINC000621644327 399007704 /nfs/dbraw/zinc/00/77/04/399007704.db2.gz UPVZWSYNRFBGRQ-INIZCTEOSA-N 2 0 303.450 2.509 20 0 DFADRP CC[C@@H]([NH2+]CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C)C(C)(C)C ZINC000475127095 299344042 /nfs/dbraw/zinc/34/40/42/299344042.db2.gz AURBVZXAIGUEND-DLBZAZTESA-N 2 0 319.493 2.820 20 0 DFADRP O[C@H](Cc1ccc(F)cc1)C[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000292951945 223324821 /nfs/dbraw/zinc/32/48/21/223324821.db2.gz CADROBXZFHUVDK-RTBURBONSA-N 2 0 320.452 2.679 20 0 DFADRP CCn1cncc1C[NH2+][C@@H](C)[C@H](c1ccccc1C)N(C)C ZINC000418006118 296070755 /nfs/dbraw/zinc/07/07/55/296070755.db2.gz BPXQDKCDPBRJFP-MAUKXSAKSA-N 2 0 300.450 2.992 20 0 DFADRP CC[NH+]1CCN(CCC[NH2+][C@@H](c2ccccc2)C2CC2)CC1 ZINC000091285071 193031026 /nfs/dbraw/zinc/03/10/26/193031026.db2.gz TVALHRHSMZYLJH-IBGZPJMESA-N 2 0 301.478 2.755 20 0 DFADRP COc1ccc([C@H]([NH2+]C[C@@H](C)N2CC[NH+](C)CC2)C(C)C)cc1 ZINC000091333359 193042531 /nfs/dbraw/zinc/04/25/31/193042531.db2.gz CTNHZKJWMPGMNJ-VQIMIIECSA-N 2 0 319.493 2.618 20 0 DFADRP CC(C)c1ccc([C@@H]([NH3+])CNC(=O)NC(C)(C)CCC[NH3+])cc1 ZINC000418349573 296087304 /nfs/dbraw/zinc/08/73/04/296087304.db2.gz KMTRLKFMCYXLAR-INIZCTEOSA-N 2 0 320.481 2.627 20 0 DFADRP CCCC[C@H](C[NH3+])NC(=O)NC[C@@H]([NH3+])c1ccc(C(C)C)cc1 ZINC000418359735 296088339 /nfs/dbraw/zinc/08/83/39/296088339.db2.gz SHBMJFPKMLNVCQ-IAGOWNOFSA-N 2 0 320.481 2.627 20 0 DFADRP CCOc1cncc(C[N@@H+]2CC[C@H](C3CC[NH+](C)CC3)C2)c1 ZINC000621727655 399051117 /nfs/dbraw/zinc/05/11/17/399051117.db2.gz LOUCZVWNOMPRCT-KRWDZBQOSA-N 2 0 303.450 2.644 20 0 DFADRP CC[NH+](CC)CC1CC[NH+]([C@H](C)C(=O)NC2CCCCC2)CC1 ZINC000057847267 399066083 /nfs/dbraw/zinc/06/60/83/399066083.db2.gz HHMBORIHLSXEIU-MRXNPFEDSA-N 2 0 323.525 2.878 20 0 DFADRP Cc1nn(-c2ccccc2)c(C)c1C[NH2+]CC1=CC[N@H+](C)CC1 ZINC000271776892 209205586 /nfs/dbraw/zinc/20/55/86/209205586.db2.gz CQEUMHXSBCVWOT-UHFFFAOYSA-N 2 0 310.445 2.841 20 0 DFADRP CC[NH+](CC)[C@H](C)CNC(=O)[C@@H](c1ccccc1)[N@@H+](C)CC ZINC000057911498 399069812 /nfs/dbraw/zinc/06/98/12/399069812.db2.gz QCYSZOXUMITPLW-NVXWUHKLSA-N 2 0 305.466 2.526 20 0 DFADRP C[NH+](C)Cc1cccc(CNC(=O)CC[C@H]2CCCC[N@@H+]2C)c1 ZINC000479420383 299376788 /nfs/dbraw/zinc/37/67/88/299376788.db2.gz XTBAGXLHKXGCIR-GOSISDBHSA-N 2 0 317.477 2.629 20 0 DFADRP CCC[C@H]([NH2+]C(C)C)C(=O)NCc1cccc(C[NH+](C)C)c1 ZINC000479445265 299377651 /nfs/dbraw/zinc/37/76/51/299377651.db2.gz KZBGKOCPPHPSEB-KRWDZBQOSA-N 2 0 305.466 2.531 20 0 DFADRP C[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@H]21)c1ccc(NC(N)=O)cc1 ZINC000367755645 299386147 /nfs/dbraw/zinc/38/61/47/299386147.db2.gz PYPDHMFROUQSLZ-KKBVYLPWSA-N 2 0 316.449 2.701 20 0 DFADRP C[C@@H]([NH2+]CC1(O)CC[NH+](C)CC1)c1ccc(OC(C)(C)C)cc1 ZINC000274327797 296119249 /nfs/dbraw/zinc/11/92/49/296119249.db2.gz YZOFYWODVWKXEZ-OAHLLOKOSA-N 2 0 320.477 2.971 20 0 DFADRP C([NH2+][C@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1)[C@@H]1CSCCS1 ZINC000253036310 202872480 /nfs/dbraw/zinc/87/24/80/202872480.db2.gz XEBIQWKTSITSEJ-BARDWOONSA-N 2 0 300.537 2.735 20 0 DFADRP COCC[N@H+](C)CCCC1CC[NH+](Cc2cncc(F)c2)CC1 ZINC000275148421 212150522 /nfs/dbraw/zinc/15/05/22/212150522.db2.gz RJVCTHHGWUWMAO-UHFFFAOYSA-N 2 0 323.456 2.791 20 0 DFADRP C[C@H](O)C[NH+]1CCC(C[N@H+](C)C[C@@H]2CCCC(F)(F)C2)CC1 ZINC000338272656 284097476 /nfs/dbraw/zinc/09/74/76/284097476.db2.gz CQCIXLANFYUDBO-GOEBONIOSA-N 2 0 318.452 2.837 20 0 DFADRP CC(C)[NH+]1CCC(N(C)C(=O)[C@@H](C)[C@@H]([NH3+])c2ccccc2)CC1 ZINC000261725360 203103082 /nfs/dbraw/zinc/10/30/82/203103082.db2.gz MJDGFTRENPEDNT-MAUKXSAKSA-N 2 0 317.477 2.654 20 0 DFADRP CC[NH+](CC)Cc1ccc(C(=O)N2CCC(C[NH+](C)C)CC2)o1 ZINC000618392569 399105411 /nfs/dbraw/zinc/10/54/11/399105411.db2.gz MAAJZHZIJKPRIC-UHFFFAOYSA-N 2 0 321.465 2.535 20 0 DFADRP CC[NH+](CC)[C@H](CNC(=O)[C@@H]1CCC[C@@H]1C[NH3+])c1ccsc1 ZINC000261874543 203140953 /nfs/dbraw/zinc/14/09/53/203140953.db2.gz YHZLOAORWGFAJJ-FVQBIDKESA-N 2 0 323.506 2.622 20 0 DFADRP CC[NH+]1CCN([C@@H]2CC[N@H+](Cc3cc(C)c(C)cc3C)C2)CC1 ZINC000093132616 193206393 /nfs/dbraw/zinc/20/63/93/193206393.db2.gz FANUNLKTYNSGEW-HXUWFJFHSA-N 2 0 315.505 2.824 20 0 DFADRP CCC[C@@](C)([NH3+])C(=O)NCC[C@@H](C)[N@H+](C)Cc1ccccc1 ZINC000262095432 203197339 /nfs/dbraw/zinc/19/73/39/203197339.db2.gz BNVRURBJTHKWQY-CRAIPNDOSA-N 2 0 305.466 2.531 20 0 DFADRP Cc1cccnc1C[NH+]1CCC(C[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000093170963 193210830 /nfs/dbraw/zinc/21/08/30/193210830.db2.gz LPZGCICKHSUFIN-IAGOWNOFSA-N 2 0 317.477 2.711 20 0 DFADRP C[C@H]([NH2+]C1(CNC(=O)C(C)(C)[NH3+])CCCC1)c1ccccc1 ZINC000262677015 203379077 /nfs/dbraw/zinc/37/90/77/203379077.db2.gz SVNRIUINERXMOB-AWEZNQCLSA-N 2 0 303.450 2.504 20 0 DFADRP CCC[C@@](C)([NH3+])C(=O)NCC(C)(C)[NH2+][C@H](C)c1ccccc1 ZINC000262690868 203381895 /nfs/dbraw/zinc/38/18/95/203381895.db2.gz AJWCGUWPJVKVPZ-RDTXWAMCSA-N 2 0 305.466 2.750 20 0 DFADRP CCC[C@](C)([NH3+])C(=O)NC[C@@H](c1ccc(C)cc1)[NH+]1CCCC1 ZINC000262717034 203392106 /nfs/dbraw/zinc/39/21/06/203392106.db2.gz VZBLHMPUNXJVHF-HKUYNNGSSA-N 2 0 317.477 2.766 20 0 DFADRP COCC[N@H+](C)CCCC1CC[NH+](Cc2cncs2)CC1 ZINC000093769402 193302449 /nfs/dbraw/zinc/30/24/49/193302449.db2.gz UHWJHKFONBTIPN-UHFFFAOYSA-N 2 0 311.495 2.714 20 0 DFADRP COc1ccc(C[NH+]2CCC(OCCC[NH3+])CC2)cc1Cl ZINC000094070140 193343309 /nfs/dbraw/zinc/34/33/09/193343309.db2.gz UDTTZOSWCJUWPY-UHFFFAOYSA-N 2 0 312.841 2.678 20 0 DFADRP C[NH+](C)CCC[C@H]1C[N@H+](CCSCc2ccccc2)CCO1 ZINC000595905496 399129237 /nfs/dbraw/zinc/12/92/37/399129237.db2.gz DENAWJBTYYYMRO-SFHVURJKSA-N 2 0 322.518 2.962 20 0 DFADRP C[C@H]([NH2+]CCN1CC[N@H+](C)C(C)(C)C1)c1ccc(F)cc1F ZINC000282445870 217001082 /nfs/dbraw/zinc/00/10/82/217001082.db2.gz UUJCTRCOVNDPHP-ZDUSSCGKSA-N 2 0 311.420 2.641 20 0 DFADRP C[C@@H]([NH2+]CCN1CC[N@H+](C)C(C)(C)C1)c1cccc(F)c1F ZINC000282450516 217005452 /nfs/dbraw/zinc/00/54/52/217005452.db2.gz UZVDFEMQHKDBAU-CYBMUJFWSA-N 2 0 311.420 2.641 20 0 DFADRP COCC1(CNc2c(C)c(C)[nH+]c3ccccc32)CC[NH2+]CC1 ZINC000420238900 296164985 /nfs/dbraw/zinc/16/49/85/296164985.db2.gz JRNAOWVLQHTALP-UHFFFAOYSA-N 2 0 313.445 2.702 20 0 DFADRP CCc1c(C)[nH+]c2ccccc2c1N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000420250577 296165531 /nfs/dbraw/zinc/16/55/31/296165531.db2.gz JZABPARPYKBZIB-MRXNPFEDSA-N 2 0 324.472 2.590 20 0 DFADRP Fc1ccc(C[N@@H+]2CCCN(CC[NH+]3CCCCC3)CC2)cc1 ZINC000264633393 204041019 /nfs/dbraw/zinc/04/10/19/204041019.db2.gz LCKPBKBZJRRWHD-UHFFFAOYSA-N 2 0 319.468 2.819 20 0 DFADRP CCOC(=O)c1cnc2ccc(C)cc2c1N1C[C@H](C)[C@H]([NH3+])C1 ZINC000420278771 296168568 /nfs/dbraw/zinc/16/85/68/296168568.db2.gz OJMVDQPQEGTTQK-SWLSCSKDSA-N 2 0 313.401 2.503 20 0 DFADRP COC(=O)C[C@@H]1CC[C@H]([NH2+]C[C@@H]2CCC[N@H+](CC3CC3)C2)[C@H]1C ZINC000596058070 399157875 /nfs/dbraw/zinc/15/78/75/399157875.db2.gz BXWVKOQSMNTXJV-DKIMLUQUSA-N 2 0 322.493 2.676 20 0 DFADRP COC(=O)[C@@H](c1cccc(Cl)c1)N1CCC([C@@H](C)[NH3+])CC1 ZINC000420289303 296169893 /nfs/dbraw/zinc/16/98/93/296169893.db2.gz IATDFZVMTNVKAK-IAQYHMDHSA-N 2 0 310.825 2.613 20 0 DFADRP COCc1cc(NC[C@@H]2CCC[C@@H]([NH3+])C2)c2cc(F)ccc2n1 ZINC000420290644 296169930 /nfs/dbraw/zinc/16/99/30/296169930.db2.gz USDSFPYWQOFABA-TZMCWYRMSA-N 2 0 317.408 2.872 20 0 DFADRP COC(=O)C[C@@H]1CC[C@H]([NH2+]C[C@@H]2CCC[N@H+](CC3CC3)C2)[C@@H]1C ZINC000596058072 399157967 /nfs/dbraw/zinc/15/79/67/399157967.db2.gz BXWVKOQSMNTXJV-UBDQQSCGSA-N 2 0 322.493 2.676 20 0 DFADRP C[C@H]1CN(Cc2ccn(-c3ccc(Cl)cc3)n2)CC[C@H]1[NH3+] ZINC000420292327 296170343 /nfs/dbraw/zinc/17/03/43/296170343.db2.gz PGVQTRPKFIRRTK-BLLLJJGKSA-N 2 0 304.825 2.695 20 0 DFADRP CCS[C@H]1CC[C@H]([N@H+](C)C[C@H](O)[C@@H]([NH3+])Cc2ccccc2)C1 ZINC000420294533 296170421 /nfs/dbraw/zinc/17/04/21/296170421.db2.gz AZUAWFYBLXJIJI-XSLAGTTESA-N 2 0 322.518 2.523 20 0 DFADRP c1ccc2c(c1)cccc2C1CC[NH+](CCN2CC[NH2+]CC2)CC1 ZINC000420294897 296170644 /nfs/dbraw/zinc/17/06/44/296170644.db2.gz BLTCPJFCIQMQOJ-UHFFFAOYSA-N 2 0 323.484 2.924 20 0 DFADRP C[C@@](C[NH3+])([NH2+]CCOc1cccc(Br)c1)C1CC1 ZINC000420293674 296170254 /nfs/dbraw/zinc/17/02/54/296170254.db2.gz ROSGPFKNZPKBOP-AWEZNQCLSA-N 2 0 313.239 2.545 20 0 DFADRP COC(=O)c1cc2cc(C[N@@H+]3CCC[C@@H]([C@@H](C)[NH3+])C3)ccc2o1 ZINC000420297026 296170805 /nfs/dbraw/zinc/17/08/05/296170805.db2.gz YCPMFRGNESQNRX-TZMCWYRMSA-N 2 0 316.401 2.779 20 0 DFADRP FC(F)(F)C1(C(F)(F)F)CC[N@H+](CC[C@@H]2CC[NH2+]C2)C1 ZINC000420296460 296170851 /nfs/dbraw/zinc/17/08/51/296170851.db2.gz DPXIGIZDNPYTBV-VIFPVBQESA-N 2 0 304.278 2.803 20 0 DFADRP Cc1cc(C)cc(NC(=O)[C@H](C)[N@@H+]2CCC[C@H](CC[NH3+])C2)c1 ZINC000420302170 296171639 /nfs/dbraw/zinc/17/16/39/296171639.db2.gz BGSZKCBPFQYYNM-JKSUJKDBSA-N 2 0 303.450 2.691 20 0 DFADRP C[NH2+]CCC1CC[NH+](Cc2cc(C(=O)OC)sc2C)CC1 ZINC000420302647 296171720 /nfs/dbraw/zinc/17/17/20/296171720.db2.gz GHFWPZVMUCZGPS-UHFFFAOYSA-N 2 0 310.463 2.665 20 0 DFADRP C[N@H+](CCC1CCCCC1)C[C@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC000420304493 296172188 /nfs/dbraw/zinc/17/21/88/296172188.db2.gz OPDIYKXGFGHBPG-OALUTQOASA-N 2 0 304.478 2.820 20 0 DFADRP Cc1cc(C)cc(NC(=O)[C@@H](C)[N@@H+]2CCC[C@H](CC[NH3+])C2)c1 ZINC000420302169 296171924 /nfs/dbraw/zinc/17/19/24/296171924.db2.gz BGSZKCBPFQYYNM-HZPDHXFCSA-N 2 0 303.450 2.691 20 0 DFADRP C[N@H+](CCC(=O)Nc1ccc(Cl)cc1)[C@H]1CCC[NH2+]CC1 ZINC000420308525 296172811 /nfs/dbraw/zinc/17/28/11/296172811.db2.gz KIPKRMSGJQWNBE-HNNXBMFYSA-N 2 0 309.841 2.743 20 0 DFADRP C[N@H+](CCCc1cc(-c2ccccc2)n[nH]1)CC[C@@H]1CC[NH2+]C1 ZINC000420304123 296172325 /nfs/dbraw/zinc/17/23/25/296172325.db2.gz KXRZBWBVQCBAEU-INIZCTEOSA-N 2 0 312.461 2.941 20 0 DFADRP c1ccc(C[N@@H+](CC[C@@H]2CCCO2)[C@@H]2CCC[NH2+]CC2)nc1 ZINC000420305533 296172673 /nfs/dbraw/zinc/17/26/73/296172673.db2.gz GPHWCQYSSNYWEF-MSOLQXFVSA-N 2 0 303.450 2.595 20 0 DFADRP Clc1ccc(CN2CC[NH+](CC[C@H]3CC[NH2+]C3)CC2)s1 ZINC000420307938 296173068 /nfs/dbraw/zinc/17/30/68/296173068.db2.gz RSJADSHKSWCPEL-CYBMUJFWSA-N 2 0 313.898 2.519 20 0 DFADRP Cc1ncsc1CN(CCOCC(C)C)C[C@H]1CC[NH2+]C1 ZINC000420311552 296173470 /nfs/dbraw/zinc/17/34/70/296173470.db2.gz NNOWWRGAJJGEAS-HNNXBMFYSA-N 2 0 311.495 2.536 20 0 DFADRP c1ccc(C[N@@H+](CC[C@@H]2CCCCO2)[C@@H]2CCC[NH2+]CC2)nc1 ZINC000420313716 296173730 /nfs/dbraw/zinc/17/37/30/296173730.db2.gz PTTJWSWFTGJWRM-MOPGFXCFSA-N 2 0 317.477 2.985 20 0 DFADRP COc1c(C)cnc(C[N@@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)c1C ZINC000420319389 296174334 /nfs/dbraw/zinc/17/43/34/296174334.db2.gz ABFNLFOBIQVIBZ-HOTGVXAUSA-N 2 0 303.450 2.529 20 0 DFADRP c1cc2c(cc1[C@H]1CCC[N@H+]1CC[C@@H]1CCC[NH2+]C1)OCCO2 ZINC000420316035 296174050 /nfs/dbraw/zinc/17/40/50/296174050.db2.gz MFRAWUYWBPHUPV-DOTOQJQBSA-N 2 0 316.445 2.984 20 0 DFADRP C[NH+](C)Cc1cccc(C(=O)N2CCC[N@@H+](C(C)(C)C)CC2)c1 ZINC000607385152 399164221 /nfs/dbraw/zinc/16/42/21/399164221.db2.gz YVVGXWBRCLVILS-UHFFFAOYSA-N 2 0 317.477 2.695 20 0 DFADRP COc1cccc(NC2CC[NH+](CC[C@@H]3CCC[NH2+]C3)CC2)c1 ZINC000420324908 296175409 /nfs/dbraw/zinc/17/54/09/296175409.db2.gz VUAUQCGIUHOORA-INIZCTEOSA-N 2 0 317.477 2.961 20 0 DFADRP [NH3+]C[C@@H]1C[N@@H+]([C@@H]2CCc3ccc(F)cc32)CC12CCOCC2 ZINC000420321265 296174872 /nfs/dbraw/zinc/17/48/72/296174872.db2.gz COZYGRMVVREVNG-RHSMWYFYSA-N 2 0 304.409 2.500 20 0 DFADRP CN(c1ccccc1)C1CC[NH+](CC[C@H]2CCC[NH2+]C2)CC1 ZINC000420326626 296175760 /nfs/dbraw/zinc/17/57/60/296175760.db2.gz XRDMOBOHWKIKMX-QGZVFWFLSA-N 2 0 301.478 2.977 20 0 DFADRP C[C@H](c1ccc(F)c(F)c1)[NH+]1CCC([C@@H]2OCC[C@H]2[NH3+])CC1 ZINC000420336884 296177147 /nfs/dbraw/zinc/17/71/47/296177147.db2.gz QJBRCXRYSDPUKO-LQAWEQHXSA-N 2 0 310.388 2.854 20 0 DFADRP CC(=O)Nc1cccc(C[NH+]2CCC([C@@H]3CCC[NH2+]3)CC2)c1 ZINC000420340081 296177355 /nfs/dbraw/zinc/17/73/55/296177355.db2.gz RVFFRNGGJKXXKD-SFHVURJKSA-N 2 0 301.434 2.609 20 0 DFADRP C[C@H](C(=O)Nc1cccc(F)c1)[NH+]1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000420339625 296177379 /nfs/dbraw/zinc/17/73/79/296177379.db2.gz MDLHARCIFYUCLI-CXAGYDPISA-N 2 0 319.424 2.617 20 0 DFADRP COC(=O)c1cc(C[N@@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)c(C)s1 ZINC000420338904 296177399 /nfs/dbraw/zinc/17/73/99/296177399.db2.gz YGYGHTWLWNTGHF-KGLIPLIRSA-N 2 0 322.474 2.665 20 0 DFADRP c1ccc(CCOCCC[N@@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)cc1 ZINC000420338281 296177541 /nfs/dbraw/zinc/17/75/41/296177541.db2.gz XQTDUXZGDCIYFO-VQTJNVASSA-N 2 0 316.489 2.957 20 0 DFADRP C[C@H](C(=O)N(C)C1CCCCC1)[NH+]1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000420335080 296176760 /nfs/dbraw/zinc/17/67/60/296176760.db2.gz JWMRVHWRVWRSPD-CRAIPNDOSA-N 2 0 321.509 2.630 20 0 DFADRP CCc1ccc(NC(=O)[C@@H](C)[N@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)cc1 ZINC000420347381 296178473 /nfs/dbraw/zinc/17/84/73/296178473.db2.gz YILFXYXRAZWWKS-OIISXLGYSA-N 2 0 315.461 2.507 20 0 DFADRP Fc1ccccc1-c1cnc(C[N@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)o1 ZINC000420347387 296178507 /nfs/dbraw/zinc/17/85/07/296178507.db2.gz YLLVSWPYFLNGPS-OKILXGFUSA-N 2 0 315.392 2.912 20 0 DFADRP CCc1cccc(NC(=O)C[N@@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)c1 ZINC000420346578 296178524 /nfs/dbraw/zinc/17/85/24/296178524.db2.gz YTYMQXKAOPOWBS-IAGOWNOFSA-N 2 0 315.461 2.509 20 0 DFADRP CC1(C)C[NH2+]CC[C@@H]1[NH2+]CCC(=O)Nc1ccccc1Cl ZINC000420356369 296179097 /nfs/dbraw/zinc/17/90/97/296179097.db2.gz GHKDRAWOHXSVLK-AWEZNQCLSA-N 2 0 309.841 2.646 20 0 DFADRP CN(C)[C@H](C[NH2+]C1CCN(c2cc[nH+]cc2)CC1)c1ccccc1 ZINC000297605078 227357291 /nfs/dbraw/zinc/35/72/91/227357291.db2.gz KFMAEEAAXPUERT-HXUWFJFHSA-N 2 0 324.472 2.943 20 0 DFADRP C[C@@H](c1ccsc1)N1CC[NH+](CC[C@H]2CCC[NH2+]C2)CC1 ZINC000420362009 296180350 /nfs/dbraw/zinc/18/03/50/296180350.db2.gz AAXISLIREWVMRN-JKSUJKDBSA-N 2 0 307.507 2.816 20 0 DFADRP [NH3+]CCOCC[NH+]1CCC(c2ccc(C(F)(F)F)cc2)CC1 ZINC000420363171 296180401 /nfs/dbraw/zinc/18/04/01/296180401.db2.gz PCUWJYMORCZZKL-UHFFFAOYSA-N 2 0 316.367 2.860 20 0 DFADRP COc1ccc(OCCC[N@@H+]2CCC[C@@]3(CC[NH2+]C3)C2)cc1 ZINC000420374292 296182405 /nfs/dbraw/zinc/18/24/05/296182405.db2.gz NJDLPZCKEUHBLN-SFHVURJKSA-N 2 0 304.434 2.540 20 0 DFADRP CC[C@@H](c1ccccc1)[N@H+](CC[C@H]1CC[NH2+]C1)CC(=O)OC ZINC000420373638 296182188 /nfs/dbraw/zinc/18/21/88/296182188.db2.gz MRNPNOVKLUAINW-WBVHZDCISA-N 2 0 304.434 2.612 20 0 DFADRP C[C@@H]1CCC[C@@H](CC[N@@H+]2CCC[C@@H](n3cc(C[NH3+])nn3)C2)C1 ZINC000420376666 296182818 /nfs/dbraw/zinc/18/28/18/296182818.db2.gz KAWVPNANADTREG-HLLBOEOZSA-N 2 0 305.470 2.590 20 0 DFADRP c1ccc2c(c1)CCN2C1CC[NH+](CC[C@@H]2CCC[NH2+]C2)CC1 ZINC000420377525 296182955 /nfs/dbraw/zinc/18/29/55/296182955.db2.gz SFFYOVSUHQTYMF-KRWDZBQOSA-N 2 0 313.489 2.903 20 0 DFADRP [NH3+]C[C@@H]1C[N@H+](CCCOc2cccc3ccccc32)CCCO1 ZINC000420383851 296183888 /nfs/dbraw/zinc/18/38/88/296183888.db2.gz FWJVQUONFZUVPC-QGZVFWFLSA-N 2 0 314.429 2.658 20 0 DFADRP C[C@H](c1ccccc1Cl)[N@@H+]1CCC[C@@H](n2cc(C[NH3+])nn2)C1 ZINC000420390210 296184897 /nfs/dbraw/zinc/18/48/97/296184897.db2.gz ZAOMAEIKROKTKP-TZMCWYRMSA-N 2 0 319.840 2.788 20 0 DFADRP [NH3+]C[C@@H]1C[N@H+](CCCOc2ccc3ccccc3c2)CCCO1 ZINC000420392956 296185329 /nfs/dbraw/zinc/18/53/29/296185329.db2.gz QANATRSFPIAIRQ-LJQANCHMSA-N 2 0 314.429 2.658 20 0 DFADRP COc1ccc(OCCC[N@@H+]2CCCC[C@H]2[C@H]2CC[NH2+]C2)cc1 ZINC000420393500 296185339 /nfs/dbraw/zinc/18/53/39/296185339.db2.gz JSIGIOUSQLHRIV-LPHOPBHVSA-N 2 0 318.461 2.928 20 0 DFADRP COc1ccc(OCCC[N@@H+]2CCCC[C@H]2[C@@H]2CC[NH2+]C2)cc1 ZINC000420393499 296185348 /nfs/dbraw/zinc/18/53/48/296185348.db2.gz JSIGIOUSQLHRIV-APWZRJJASA-N 2 0 318.461 2.928 20 0 DFADRP COc1ccc(OCCC[N@@H+]2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)cc1 ZINC000420393502 296185441 /nfs/dbraw/zinc/18/54/41/296185441.db2.gz JSIGIOUSQLHRIV-VQIMIIECSA-N 2 0 318.461 2.928 20 0 DFADRP [NH3+][C@@H]1CCO[C@H](C2CC[NH+](CCSc3ccccc3)CC2)C1 ZINC000420396850 296185633 /nfs/dbraw/zinc/18/56/33/296185633.db2.gz WMYSSPUEHBQLBR-AEFFLSMTSA-N 2 0 320.502 2.997 20 0 DFADRP [NH3+][C@H]1CCO[C@@H](C2CC[NH+](CCSc3ccccc3)CC2)C1 ZINC000420396851 296185656 /nfs/dbraw/zinc/18/56/56/296185656.db2.gz WMYSSPUEHBQLBR-FUHWJXTLSA-N 2 0 320.502 2.997 20 0 DFADRP Clc1ccc([C@H]([NH2+]CCN2CC[NH2+]CC2)C2CCC2)cc1 ZINC000420401894 296186504 /nfs/dbraw/zinc/18/65/04/296186504.db2.gz JRKJGNJBBSHLHF-QGZVFWFLSA-N 2 0 307.869 2.676 20 0 DFADRP Cc1cc(-c2noc(CN3CC[C@@H](C)[C@@H](C[NH3+])C3)n2)ccc1F ZINC000420414631 296187747 /nfs/dbraw/zinc/18/77/47/296187747.db2.gz UOBWLWWKQFAAAI-RISCZKNCSA-N 2 0 318.396 2.601 20 0 DFADRP Cc1cc(-c2noc(CN3CC[C@H](C)[C@H](C[NH3+])C3)n2)ccc1F ZINC000420414633 296187959 /nfs/dbraw/zinc/18/79/59/296187959.db2.gz UOBWLWWKQFAAAI-SMDDNHRTSA-N 2 0 318.396 2.601 20 0 DFADRP CC[NH+](CC)Cc1ccc(C(=O)N[C@@H](C)C[NH+](CC)CC)o1 ZINC000622063904 399182530 /nfs/dbraw/zinc/18/25/30/399182530.db2.gz MDRYPBOYYPHZCW-AWEZNQCLSA-N 2 0 309.454 2.582 20 0 DFADRP C[C@H](C[NH2+][C@H](C)Cc1cccc(Cl)c1)CN1CC[NH+](C)CC1 ZINC000282762533 217233259 /nfs/dbraw/zinc/23/32/59/217233259.db2.gz WBQMVLZGWDNCQC-HZPDHXFCSA-N 2 0 323.912 2.744 20 0 DFADRP C[N@@H+]1CCCC[C@@H]1C(=O)N1CCC(C[NH+]2CCCCCC2)CC1 ZINC000600953411 399185843 /nfs/dbraw/zinc/18/58/43/399185843.db2.gz RIBBWDIEIAZQOJ-GOSISDBHSA-N 2 0 321.509 2.585 20 0 DFADRP CC(C)[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC000618657866 399199827 /nfs/dbraw/zinc/19/98/27/399199827.db2.gz RMJKMERHFPJWFF-KRWDZBQOSA-N 2 0 321.509 2.630 20 0 DFADRP C[C@H]([NH2+]C(C)(C)CNC(=O)[C@@H]1CCCC[N@@H+]1C)c1ccccc1 ZINC000600996965 399199044 /nfs/dbraw/zinc/19/90/44/399199044.db2.gz OKDSUEBXAPCFOQ-RDJZCZTQSA-N 2 0 317.477 2.716 20 0 DFADRP C[C@@H]([NH2+]C(C)(C)CNC(=O)[C@@H]1CCCC[N@@H+]1C)c1ccccc1 ZINC000600996967 399199078 /nfs/dbraw/zinc/19/90/78/399199078.db2.gz OKDSUEBXAPCFOQ-WBVHZDCISA-N 2 0 317.477 2.716 20 0 DFADRP C[C@H]([NH2+]C(C)(C)CNC(=O)[C@H]1CCC[NH2+][C@H]1C)c1ccccc1 ZINC000342732717 284396103 /nfs/dbraw/zinc/39/61/03/284396103.db2.gz LCNIASWXWUMKOH-ZOBUZTSGSA-N 2 0 317.477 2.620 20 0 DFADRP Cc1cc(CNC(=O)NC[C@@H](C)[N@@H+]2CCCC[C@@H]2C)cc(C)n1 ZINC000420789131 296202149 /nfs/dbraw/zinc/20/21/49/296202149.db2.gz DLCDEPDANZMBCB-JKSUJKDBSA-N 2 0 318.465 2.761 20 0 DFADRP CC[NH+]1CCC(CC[NH2+]Cc2nn(C)c3ccccc23)CC1 ZINC000608062103 399229299 /nfs/dbraw/zinc/22/92/99/399229299.db2.gz TZCOTCVASPIJJB-UHFFFAOYSA-N 2 0 300.450 2.785 20 0 DFADRP C[C@@H]([NH2+]Cc1ccc(OCC[NH+]2CCCC2)cc1)[C@H]1CCOC1 ZINC000608061910 399229957 /nfs/dbraw/zinc/22/99/57/399229957.db2.gz IPOBYOTVJVBDTP-AEFFLSMTSA-N 2 0 318.461 2.676 20 0 DFADRP C[C@H]([NH2+]Cc1ccc(OCC[NH+]2CCCC2)cc1)[C@@H]1CCOC1 ZINC000608061911 399230040 /nfs/dbraw/zinc/23/00/40/399230040.db2.gz IPOBYOTVJVBDTP-FUHWJXTLSA-N 2 0 318.461 2.676 20 0 DFADRP C[C@H]([NH2+]CC1CC[NH+](CC(=O)NC(C)(C)C)CC1)[C@@H]1CC1(C)C ZINC000487260704 299454305 /nfs/dbraw/zinc/45/43/05/299454305.db2.gz AEWBCVJRJXMICE-HOCLYGCPSA-N 2 0 323.525 2.637 20 0 DFADRP CSC1(C[NH2+]Cc2ccc(C(F)F)nc2)CC[NH+](C)CC1 ZINC000601125808 399233910 /nfs/dbraw/zinc/23/39/10/399233910.db2.gz VCLRRCYINGXLJS-UHFFFAOYSA-N 2 0 315.433 2.936 20 0 DFADRP CC[N@@H+]1CC[C@@H]([NH+](C)CCc2nc3ccccc3n2C)[C@@H](C)C1 ZINC000267447226 206074394 /nfs/dbraw/zinc/07/43/94/206074394.db2.gz KMBCZUNKVIWJBF-DOTOQJQBSA-N 2 0 314.477 2.778 20 0 DFADRP CC[NH+]1CCC(N2CCC[N@H+](CCSC(C)C)CC2)CC1 ZINC000420976301 296219714 /nfs/dbraw/zinc/21/97/14/296219714.db2.gz GSUXZTRPDZLMHJ-UHFFFAOYSA-N 2 0 313.555 2.620 20 0 DFADRP CC(C)N(CC[NH+]1CCCCCC1)C(=O)C[NH+]1CCC(C)CC1 ZINC000622600106 399261613 /nfs/dbraw/zinc/26/16/13/399261613.db2.gz LRLLUZVXXQGHLM-UHFFFAOYSA-N 2 0 323.525 2.831 20 0 DFADRP CC[NH+](CC)CC(=O)N1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC000622662346 399265990 /nfs/dbraw/zinc/26/59/90/399265990.db2.gz GOQMAKVFKFPUHQ-UHFFFAOYSA-N 2 0 311.514 2.687 20 0 DFADRP C[C@@H]([NH2+]CCCN1CC[NH+](C)CC1)c1ccc(Cl)s1 ZINC000035286122 182766804 /nfs/dbraw/zinc/76/68/04/182766804.db2.gz ALIOGZACLSWHMC-GFCCVEGCSA-N 2 0 301.887 2.690 20 0 DFADRP CC[NH+]1CCC(CC[NH2+]Cc2cn3cc(C)ccc3n2)CC1 ZINC000283884670 217797606 /nfs/dbraw/zinc/79/76/06/217797606.db2.gz JIELNNCORYVCHL-UHFFFAOYSA-N 2 0 300.450 2.854 20 0 DFADRP CSC1(C[NH2+][C@@H]2CCCc3ncccc32)CC[NH+](C)CC1 ZINC000601279672 399270041 /nfs/dbraw/zinc/27/00/41/399270041.db2.gz IPXHALTXXOQMKJ-MRXNPFEDSA-N 2 0 305.491 2.876 20 0 DFADRP CC[NH+]1CCN(C[C@H](C)C[NH2+]C2CC3(C2)CCCCC3)CC1 ZINC000421328456 296244930 /nfs/dbraw/zinc/24/49/30/296244930.db2.gz SNOQWWMNYGMENS-QGZVFWFLSA-N 2 0 307.526 2.963 20 0 DFADRP CO[C@@H](C[NH2+]Cc1ccc(OCC[NH+]2CCCC2)cc1)C(C)C ZINC000608579099 399276278 /nfs/dbraw/zinc/27/62/78/399276278.db2.gz XEBKUNDSLNJMNE-IBGZPJMESA-N 2 0 320.477 2.922 20 0 DFADRP CC[NH+]1CCC(N2CCC[N@H+](Cc3ccoc3C)CC2)CC1 ZINC000421376480 296250244 /nfs/dbraw/zinc/25/02/44/296250244.db2.gz QNBXDAJZCWIMRP-UHFFFAOYSA-N 2 0 305.466 2.580 20 0 DFADRP C[NH+](C)Cc1cccc(NC(=O)N[C@H]2CC[NH2+]C3(CCC3)C2)c1 ZINC000623053284 399319581 /nfs/dbraw/zinc/31/95/81/399319581.db2.gz AHTBZRUBIZOVSE-INIZCTEOSA-N 2 0 316.449 2.544 20 0 DFADRP C[NH+](C)Cc1cccc(NC(=O)NC[C@H]([NH3+])c2ccccc2)c1 ZINC000623056673 399320436 /nfs/dbraw/zinc/32/04/36/399320436.db2.gz JCXXTWMIMAGJHB-KRWDZBQOSA-N 2 0 312.417 2.570 20 0 DFADRP C[NH+](C)Cc1cccc(NC(=O)N[C@@H](C[NH3+])C2CCCCC2)c1 ZINC000623057867 399321089 /nfs/dbraw/zinc/32/10/89/399321089.db2.gz JJRUTEHDSYOVII-KRWDZBQOSA-N 2 0 318.465 2.777 20 0 DFADRP Cc1oc2ccccc2c1C[NH2+]CCCN(C)CC[NH+](C)C ZINC000623088128 399324926 /nfs/dbraw/zinc/32/49/26/399324926.db2.gz XLZPYHRGJIUBMU-UHFFFAOYSA-N 2 0 303.450 2.714 20 0 DFADRP COc1ccc([C@@H]([NH2+]CCOCC[NH+](C)C)C(C)C)c(F)c1 ZINC000421842676 296277356 /nfs/dbraw/zinc/27/73/56/296277356.db2.gz OKFFDBBANWDJNV-KRWDZBQOSA-N 2 0 312.429 2.699 20 0 DFADRP CCCCOc1ccc([C@H](C)[NH2+]CC2(O)CC[NH+](C)CC2)cc1 ZINC000284419210 218019857 /nfs/dbraw/zinc/01/98/57/218019857.db2.gz QRYXDAMHJFUVQC-INIZCTEOSA-N 2 0 320.477 2.973 20 0 DFADRP COc1ccc(C[NH2+]CCCC[NH+](C)C)cc1OC(F)F ZINC000045598400 183518850 /nfs/dbraw/zinc/51/88/50/183518850.db2.gz FBSJGCVTZYOMQO-UHFFFAOYSA-N 2 0 302.365 2.728 20 0 DFADRP COc1ccc([C@H](C[NH+](C)C)N[C@H]2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000284472241 218042002 /nfs/dbraw/zinc/04/20/02/218042002.db2.gz VXBPMCNDYKPQSW-LNLFQRSKSA-N 2 0 317.477 2.514 20 0 DFADRP COc1ccc([C@H](C[NH+](C)C)N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000284472226 218042228 /nfs/dbraw/zinc/04/22/28/218042228.db2.gz VXBPMCNDYKPQSW-AOIWGVFYSA-N 2 0 317.477 2.514 20 0 DFADRP C[N@H+](CCC(=O)N1CCC[C@]2(CC[NH+](C)C2)C1)C1CCCCC1 ZINC000615600255 399358922 /nfs/dbraw/zinc/35/89/22/399358922.db2.gz BPOAXKRNPRLUPN-LJQANCHMSA-N 2 0 321.509 2.585 20 0 DFADRP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)CCCc2ccccc2)CC1 ZINC000105862449 194150705 /nfs/dbraw/zinc/15/07/05/194150705.db2.gz FPVVACUJQQFSLX-QGZVFWFLSA-N 2 0 304.478 2.644 20 0 DFADRP C[N@@H+]1CC[C@@H]([NH2+]C2CCN(Cc3ccccn3)CC2)CC1(C)C ZINC000623361628 399372684 /nfs/dbraw/zinc/37/26/84/399372684.db2.gz HVEZPCRMPXWHFQ-QGZVFWFLSA-N 2 0 316.493 2.508 20 0 DFADRP C[NH+](C)CCOc1ccc(CN[C@H]2CC[N@H+](C)C(C)(C)C2)cc1 ZINC000623361828 399372695 /nfs/dbraw/zinc/37/26/95/399372695.db2.gz RILZAEZZJXCXCN-KRWDZBQOSA-N 2 0 319.493 2.589 20 0 DFADRP C[NH+](C)[C@@H](CN[C@H]1CC[N@H+](C)C(C)(C)C1)c1ccc(F)cc1 ZINC000623363187 399372799 /nfs/dbraw/zinc/37/27/99/399372799.db2.gz FBEAKYVIFVHKHT-IRXDYDNUSA-N 2 0 307.457 2.891 20 0 DFADRP CCc1ccc([C@@H](CNC(=O)[C@@H](C(C)C)[NH+](C)C)[NH+](C)C)cc1 ZINC000106427467 194211307 /nfs/dbraw/zinc/21/13/07/194211307.db2.gz ISNMNFDPXSWMMF-QZTJIDSGSA-N 2 0 319.493 2.554 20 0 DFADRP CC[NH+](CC)[C@H](CNC(=O)[C@H](C(C)C)[NH+](C)C)c1ccccc1 ZINC000106429012 194213294 /nfs/dbraw/zinc/21/32/94/194213294.db2.gz GUVWJGJUHGYDKX-MSOLQXFVSA-N 2 0 319.493 2.772 20 0 DFADRP COc1ccc(C[NH2+]CC2CC[NH+](C)CC2)cc1OC1CC1 ZINC000623403698 399381029 /nfs/dbraw/zinc/38/10/29/399381029.db2.gz DHXPYAXHGLXMJQ-UHFFFAOYSA-N 2 0 304.434 2.668 20 0 DFADRP CC[NH+](CC)Cc1cccc(CNC(=O)[C@H](C(C)C)[NH+](C)C)c1 ZINC000106459175 194217607 /nfs/dbraw/zinc/21/76/07/194217607.db2.gz XZTNFNXSPZSGPL-SFHVURJKSA-N 2 0 319.493 2.731 20 0 DFADRP C[C@H]1C[N@H+](CCC[NH2+][C@H]2CCCc3c(O)cccc32)CCCO1 ZINC000285154487 218311874 /nfs/dbraw/zinc/31/18/74/218311874.db2.gz MJRQNIMVDFBCBR-YJBOKZPZSA-N 2 0 318.461 2.860 20 0 DFADRP CSC1(C[NH2+]Cc2nc3cc(F)ccc3o2)CC[NH+](C)CC1 ZINC000602026465 399386911 /nfs/dbraw/zinc/38/69/11/399386911.db2.gz WKDIDZPVGMHTNS-UHFFFAOYSA-N 2 0 323.437 2.884 20 0 DFADRP CC[C@@H]1CN(C(=O)C(C)C)CC[C@@H]1[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623435368 399388736 /nfs/dbraw/zinc/38/87/36/399388736.db2.gz BOQUEYVMPSMEDI-IKGGRYGDSA-N 2 0 323.525 2.732 20 0 DFADRP C[N@@H+]1CCCC[C@H]1CN1CC[NH+](CCCc2ccccc2)CC1 ZINC000109755264 194283161 /nfs/dbraw/zinc/28/31/61/194283161.db2.gz VUWXVXHILLUOSJ-FQEVSTJZSA-N 2 0 315.505 2.721 20 0 DFADRP C[N@@H+]1CC[C@@H]([NH2+]CC[C@H]2COc3ccccc3O2)CC1(C)C ZINC000623452629 399393308 /nfs/dbraw/zinc/39/33/08/399393308.db2.gz KBBFTNPRDVYLGE-CABCVRRESA-N 2 0 304.434 2.679 20 0 DFADRP [NH3+]C[C@@H]1C[N@H+](Cc2cccc(C3CC3)c2)CC12CCOCC2 ZINC000422557626 296311973 /nfs/dbraw/zinc/31/19/73/296311973.db2.gz WTRIOMVRUDYPJI-GOSISDBHSA-N 2 0 300.446 2.751 20 0 DFADRP CC(C)N(C)c1ccc(C[N@@H+]2C[C@H](C[NH3+])[C@H](C)C[C@@H]2C)cn1 ZINC000422558238 296312236 /nfs/dbraw/zinc/31/22/36/296312236.db2.gz ANXDOYXEAQGUAH-VYDXJSESSA-N 2 0 304.482 2.731 20 0 DFADRP C[N@@H+]1CC[C@@H]([NH2+]CC[C@@H]2COc3ccccc3O2)CC1(C)C ZINC000623452631 399393787 /nfs/dbraw/zinc/39/37/87/399393787.db2.gz KBBFTNPRDVYLGE-HUUCEWRRSA-N 2 0 304.434 2.679 20 0 DFADRP C[NH+](C)C1CCC([NH2+][C@@H]2CCN[C@H](c3ccccc3)C2)CC1 ZINC000422558826 296312314 /nfs/dbraw/zinc/31/23/14/296312314.db2.gz ZUDZIMOILJBJFB-CHPDAQJUSA-N 2 0 301.478 2.942 20 0 DFADRP COCCOc1ccc(C[N@@H+]2C[C@H](C[NH3+])[C@@H](C)C[C@@H]2C)cc1 ZINC000422561264 296312803 /nfs/dbraw/zinc/31/28/03/296312803.db2.gz KFVHNBNJYOOCHX-ZOBUZTSGSA-N 2 0 306.450 2.517 20 0 DFADRP COc1sc(C[NH2+]C(C)(C)CC[NH3+])cc1Br ZINC000422562949 296313140 /nfs/dbraw/zinc/31/31/40/296313140.db2.gz RDWZCOABAARTAM-UHFFFAOYSA-N 2 0 307.257 2.736 20 0 DFADRP CC[NH2+]Cc1cccc(NC(=O)NC2CCC([NH+](C)C)CC2)c1 ZINC000422566199 296313367 /nfs/dbraw/zinc/31/33/67/296313367.db2.gz QEHAMXQHKBKHBY-UHFFFAOYSA-N 2 0 318.465 2.790 20 0 DFADRP CCC[NH+]1CCC([NH2+][C@H](CO)Cc2c[nH]c3ccccc23)CC1 ZINC000268853088 207020794 /nfs/dbraw/zinc/02/07/94/207020794.db2.gz CBTFZTCZKNJJOA-KRWDZBQOSA-N 2 0 315.461 2.535 20 0 DFADRP c1[nH]nc2cccc(C[NH2+]CC3CCN(c4cc[nH+]cc4)CC3)c12 ZINC000623482468 399398793 /nfs/dbraw/zinc/39/87/93/399398793.db2.gz UNIQWRDJQGCKQT-UHFFFAOYSA-N 2 0 321.428 2.964 20 0 DFADRP CC[N@@H+]1CC[C@H]([NH2+][C@H]2CCN(c3cccc(OC)c3)C2)[C@@H](C)C1 ZINC000268880700 207050389 /nfs/dbraw/zinc/05/03/89/207050389.db2.gz WOTKATQJYDLQDX-BXWFABGCSA-N 2 0 317.477 2.594 20 0 DFADRP C[C@@H]([NH3+])C[C@@H](C)[NH2+]Cc1cccc(COC2CCOCC2)c1 ZINC000422703253 296318446 /nfs/dbraw/zinc/31/84/46/296318446.db2.gz HHBCCKIAHAUTJA-HUUCEWRRSA-N 2 0 306.450 2.598 20 0 DFADRP C[N@@H+]1CC[C@H]([NH2+]C[C@@]2(O)CCC[C@H](C(F)(F)F)C2)CC1(C)C ZINC000623502772 399403558 /nfs/dbraw/zinc/40/35/58/399403558.db2.gz ZZOACDWHTDFWTI-KCQAQPDRSA-N 2 0 322.415 2.932 20 0 DFADRP CCn1ccnc1[C@H]1OCCC[C@@H]1[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623499480 399402828 /nfs/dbraw/zinc/40/28/28/399402828.db2.gz HRFIPWAZLRGHBH-PMPSAXMXSA-N 2 0 320.481 2.586 20 0 DFADRP C[C@@H](CCC[NH3+])[NH2+]CCc1cc(Br)ccc1F ZINC000422698693 296318296 /nfs/dbraw/zinc/31/82/96/296318296.db2.gz ANBUAJMUPROHFL-JTQLQIEISA-N 2 0 303.219 2.848 20 0 DFADRP CCCC[N@H+](C)CCN[C@H](c1ccc(OC)cc1)[C@@H]1CCC[NH2+]1 ZINC000422706641 296319333 /nfs/dbraw/zinc/31/93/33/296319333.db2.gz FQLMHVWFMVQQEK-RBUKOAKNSA-N 2 0 319.493 2.810 20 0 DFADRP C[C@@H](CN[C@@H](C)[C@@H]1CCCC[NH2+]1)[N@@H+]1CCc2ccccc2C1 ZINC000422708630 296319388 /nfs/dbraw/zinc/31/93/88/296319388.db2.gz CCMGJKVZFVYIRI-BXWFABGCSA-N 2 0 301.478 2.553 20 0 DFADRP C[C@H](CCCC[NH3+])[NH2+]C[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000422712948 296320300 /nfs/dbraw/zinc/32/03/00/296320300.db2.gz JCMULQLAKCVPQK-IEBWSBKVSA-N 3 0 303.494 2.658 20 0 DFADRP C[N@@H+]1CCC[C@H]2C[NH+](CCc3ccc4c(c3)CCO4)CC[C@H]21 ZINC000268940855 207104422 /nfs/dbraw/zinc/10/44/22/207104422.db2.gz AGRSXTSRTLDIFH-ZWKOTPCHSA-N 2 0 300.446 2.580 20 0 DFADRP C[N@@H+]1CCC[C@H]2C[NH+](CCc3ccc4c(c3)CCO4)CC[C@@H]21 ZINC000268940854 207104551 /nfs/dbraw/zinc/10/45/51/207104551.db2.gz AGRSXTSRTLDIFH-ROUUACIJSA-N 2 0 300.446 2.580 20 0 DFADRP C[C@H](CN[C@@H](Cc1ccccc1)[C@@H](C)[NH3+])C[NH+]1CCCCC1 ZINC000422709284 296319756 /nfs/dbraw/zinc/31/97/56/296319756.db2.gz KGUSVDZLOVGVIO-LMMKCTJWSA-N 2 0 303.494 2.657 20 0 DFADRP CC[C@H](NC[C@@H](c1ccc(F)cc1)[NH+](C)C)[C@H]1CCCC[NH2+]1 ZINC000422716294 296321020 /nfs/dbraw/zinc/32/10/20/296321020.db2.gz UFFZFURMGWRBSO-KSZLIROESA-N 2 0 307.457 2.939 20 0 DFADRP Cc1ccc(C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)cc1C ZINC000057157341 184029152 /nfs/dbraw/zinc/02/91/52/184029152.db2.gz RCTZAKXTCFQFAI-UHFFFAOYSA-N 2 0 319.493 2.649 20 0 DFADRP Cc1cc(CN[C@@H]2CC[N@@H+](C)C(C)(C)C2)cc(N2CCCC2)n1 ZINC000623527993 399408788 /nfs/dbraw/zinc/40/87/88/399408788.db2.gz SIEVRLCQUGKNAS-QGZVFWFLSA-N 2 0 316.493 2.953 20 0 DFADRP C[C@@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]CCC(=O)NC1CCCCC1 ZINC000422715495 296320618 /nfs/dbraw/zinc/32/06/18/296320618.db2.gz MIWFVOHQUGJBLV-RDJZCZTQSA-N 2 0 309.498 2.726 20 0 DFADRP CN(C)[C@H](C[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1)c1ccc(F)cc1 ZINC000422714456 296320621 /nfs/dbraw/zinc/32/06/21/296320621.db2.gz RARAVYOFGVOOBV-NCXUSEDFSA-N 2 0 319.468 2.939 20 0 DFADRP Fc1ccc(CN2CCC([NH2+][C@H]3CCC[NH2+]CC3)CC2)cc1 ZINC000422724191 296321683 /nfs/dbraw/zinc/32/16/83/296321683.db2.gz UVICAYGFLJDOJQ-KRWDZBQOSA-N 2 0 305.441 2.522 20 0 DFADRP C[C@H](NC1CC[NH+](Cc2ccc(F)cc2)CC1)[C@H]1CCC[NH2+]1 ZINC000422724106 296321743 /nfs/dbraw/zinc/32/17/43/296321743.db2.gz ULLVTVUZDQNKPM-KBXCAEBGSA-N 2 0 305.441 2.520 20 0 DFADRP CCC(CC)C(=O)N1CCC([NH2+]C2CCC(C[NH3+])CC2)CC1 ZINC000422723470 296321753 /nfs/dbraw/zinc/32/17/53/296321753.db2.gz RLRNQUVUIOVPDB-UHFFFAOYSA-N 2 0 309.498 2.521 20 0 DFADRP Cc1[nH]c2ccc(C[NH2+][C@@H]3CCOC[C@H]3[C@@H](C)[NH3+])cc2c1C ZINC000422721809 296321879 /nfs/dbraw/zinc/32/18/79/296321879.db2.gz OIXZHEMROUWYJD-OAUYIBNBSA-N 2 0 301.434 2.627 20 0 DFADRP CCOC(=O)C1([C@@H](C)[NH2+]C2CCC(CC)CC2)CC[NH2+]CC1 ZINC000422723093 296321882 /nfs/dbraw/zinc/32/18/82/296321882.db2.gz QEVUHHIYKVBIOM-QQFBHYJXSA-N 2 0 310.482 2.866 20 0 DFADRP C[C@@H](NC[C@@H]1CC[N@H+](CCc2ccccc2)C1)c1c[nH+]ccc1N ZINC000422721608 296321341 /nfs/dbraw/zinc/32/13/41/296321341.db2.gz VURTUSDODBPCSI-AEFFLSMTSA-N 2 0 324.472 2.709 20 0 DFADRP C[C@H]([NH3+])[C@@H]1COCC[C@H]1[NH2+]CCc1ccc(Cl)cc1Cl ZINC000422726302 296322014 /nfs/dbraw/zinc/32/20/14/296322014.db2.gz DKPSQQGEPVWMDH-VZJVUDMVSA-N 2 0 317.260 2.878 20 0 DFADRP C[C@H]([NH3+])[C@H]1COCC[C@H]1[NH2+]CCc1ccc(Cl)cc1Cl ZINC000422726301 296322171 /nfs/dbraw/zinc/32/21/71/296322171.db2.gz DKPSQQGEPVWMDH-PSOPSSQASA-N 2 0 317.260 2.878 20 0 DFADRP CC[C@@H](C)[C@@](C)(O)C[NH2+]Cc1ccc(OCC[NH+](C)C)cc1 ZINC000602288434 399419257 /nfs/dbraw/zinc/41/92/57/399419257.db2.gz YIZGSVBZHUSEAE-QAPCUYQASA-N 2 0 308.466 2.514 20 0 DFADRP CC[C@@H]([NH2+]CCc1ccc(OC)c(OC)c1)[C@@H]1CCCC[NH2+]1 ZINC000422728043 296322490 /nfs/dbraw/zinc/32/24/90/296322490.db2.gz ISLASODABFTPFF-CVEARBPZSA-N 2 0 306.450 2.757 20 0 DFADRP Clc1ccc(CC[NH2+][C@@H]2CCOC[C@H]2[C@@H]2CCC[NH2+]2)cc1 ZINC000422727393 296322535 /nfs/dbraw/zinc/32/25/35/296322535.db2.gz CFQFPSAUQQXJRR-YESZJQIVSA-N 2 0 308.853 2.629 20 0 DFADRP CN(C)[C@H](C[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1)c1cccc(F)c1 ZINC000422727818 296322602 /nfs/dbraw/zinc/32/26/02/296322602.db2.gz HZBSUTNMYXAPQI-INDMIFKZSA-N 2 0 319.468 2.939 20 0 DFADRP C[C@@H](NC1CC[NH+](Cc2ccccc2)CC1)c1c[nH+]ccc1N ZINC000422726634 296322637 /nfs/dbraw/zinc/32/26/37/296322637.db2.gz FQKIZRQVLXBCDI-OAHLLOKOSA-N 2 0 310.445 2.809 20 0 DFADRP C[C@@H](NC[C@@H](c1ccccc1)[NH+]1CCC(C)CC1)C1C[NH2+]C1 ZINC000422730426 296322788 /nfs/dbraw/zinc/32/27/88/296322788.db2.gz DXSASQVKVVUYLZ-APWZRJJASA-N 2 0 301.478 2.657 20 0 DFADRP CSCC[C@@H](C)[N@H+](C)C[C@@H](O)CN(C)Cc1ccccc1 ZINC000610988886 399425024 /nfs/dbraw/zinc/42/50/24/399425024.db2.gz USLZFQXRWWFTJQ-WBVHZDCISA-N 2 0 310.507 2.553 20 0 DFADRP C[C@H](CC[NH+](C)C)[NH2+][C@@H](C)c1cccc(OCC[NH+](C)C)c1 ZINC000268995770 207154036 /nfs/dbraw/zinc/15/40/36/207154036.db2.gz KNJPWHQLMCOFQJ-CVEARBPZSA-N 3 0 307.482 2.618 20 0 DFADRP COc1cccc([C@H](C[NH2+][C@@H]2CCCCC[C@H]2[NH3+])N(C)C)c1 ZINC000422733762 296323399 /nfs/dbraw/zinc/32/33/99/296323399.db2.gz ROQHDBSFUISVQL-KURKYZTESA-N 2 0 305.466 2.548 20 0 DFADRP CC[NH+](CC)CCCN[C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422732419 296323491 /nfs/dbraw/zinc/32/34/91/296323491.db2.gz PULIBTGBJWZEKA-HKUYNNGSSA-N 2 0 317.477 2.564 20 0 DFADRP C[N@H+](Cc1ccccc1CN[C@@H]1CC[NH2+]C1)C1CCCCC1 ZINC000422732524 296323513 /nfs/dbraw/zinc/32/35/13/296323513.db2.gz OVUPMMPAYCPCIQ-GOSISDBHSA-N 2 0 301.478 2.903 20 0 DFADRP CO[C@@H](C[NH2+][C@@H](C)c1cccc(OCC[NH+](C)C)c1)C(C)C ZINC000269011559 207162821 /nfs/dbraw/zinc/16/28/21/207162821.db2.gz XNQLOJZECYAILT-YJBOKZPZSA-N 2 0 308.466 2.949 20 0 DFADRP C[N@@H+]1CCCC[C@@H](C[NH2+]Cc2c[nH]nc2-c2cccs2)C1 ZINC000623656294 399436430 /nfs/dbraw/zinc/43/64/30/399436430.db2.gz RKOSUVDQEJMMEX-ZDUSSCGKSA-N 2 0 304.463 2.960 20 0 DFADRP Cn1cc(-c2ccc(C[NH2+]C[C@H]3CCCC[N@H+](C)C3)s2)cn1 ZINC000623656934 399436441 /nfs/dbraw/zinc/43/64/41/399436441.db2.gz FYHDGGYFLDDELZ-CQSZACIVSA-N 2 0 318.490 2.970 20 0 DFADRP C[N@@H+]1CCCC[C@H](C[NH2+]Cc2c[nH]nc2-c2cccs2)C1 ZINC000623656293 399436674 /nfs/dbraw/zinc/43/66/74/399436674.db2.gz RKOSUVDQEJMMEX-CYBMUJFWSA-N 2 0 304.463 2.960 20 0 DFADRP COc1cc(C)c(C[NH2+]C[C@@H]2CCCC[N@H+](C)C2)cc1OC ZINC000623656059 399436769 /nfs/dbraw/zinc/43/67/69/399436769.db2.gz MAHBPNFRVYHDEI-HNNXBMFYSA-N 2 0 306.450 2.834 20 0 DFADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC[C@@H]1CCCC[NH+](C)C1 ZINC000623656544 399436931 /nfs/dbraw/zinc/43/69/31/399436931.db2.gz WNKPQWDWXVMHEJ-YZGWKJHDSA-N 2 0 315.505 2.828 20 0 DFADRP COc1ccc([C@H](C)[NH2+]CCCC[NH+](C)C)cc1NC(C)=O ZINC000269038361 207186424 /nfs/dbraw/zinc/18/64/24/207186424.db2.gz SVBUZLZEEDPTHB-ZDUSSCGKSA-N 2 0 307.438 2.646 20 0 DFADRP CC[NH+](CC)[C@H](CNC(=O)[C@@H](C)[NH2+]C(C)(C)CC)c1ccco1 ZINC000273196314 210574992 /nfs/dbraw/zinc/57/49/92/210574992.db2.gz IYTYMSZIUSWMEY-HUUCEWRRSA-N 2 0 323.481 2.945 20 0 DFADRP CC(C)[NH+]1CCC(O)(C[NH2+][C@H](C)CCc2cccc(F)c2)CC1 ZINC000269042595 207191377 /nfs/dbraw/zinc/19/13/77/207191377.db2.gz XKJJLCZDMZXXDV-MRXNPFEDSA-N 2 0 322.468 2.972 20 0 DFADRP CC(C)[N@H+](C)CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000061637060 184179923 /nfs/dbraw/zinc/17/99/23/184179923.db2.gz JLLBMKYQOOEAKC-UHFFFAOYSA-N 2 0 321.490 2.514 20 0 DFADRP C[C@H]([NH2+]CCCC[NH+](C)C)c1cccc(OCC[NH+](C)C)c1 ZINC000269053286 207202386 /nfs/dbraw/zinc/20/23/86/207202386.db2.gz WEYGGTSZLVUEMG-INIZCTEOSA-N 3 0 307.482 2.619 20 0 DFADRP C[C@H]([NH2+]CCCC[NH+](C)C)c1ccc(N2CCCC2=O)cc1 ZINC000269065808 207213933 /nfs/dbraw/zinc/21/39/33/207213933.db2.gz YWOCKMRNRSOURA-HNNXBMFYSA-N 2 0 303.450 2.806 20 0 DFADRP COc1ccc([C@@H](C)C[NH+]2CCC(OCCC[NH3+])CC2)cc1 ZINC000346692764 284927302 /nfs/dbraw/zinc/92/73/02/284927302.db2.gz ITLCVOKANRYVOG-HNNXBMFYSA-N 2 0 306.450 2.629 20 0 DFADRP CCCC[C@@H](C[NH3+])NC(=O)C1CC[NH+](Cc2ccccc2)CC1 ZINC000269186073 207305968 /nfs/dbraw/zinc/30/59/68/207305968.db2.gz HUBNUBPTPQPCLW-SFHVURJKSA-N 2 0 317.477 2.532 20 0 DFADRP CCC[N@H+](CC)Cc1ccc(C(=O)NC[C@@H]2CCC[NH2+]C2)cc1 ZINC000269181444 207300755 /nfs/dbraw/zinc/30/07/55/207300755.db2.gz IDNPTSCINUVRJU-QGZVFWFLSA-N 2 0 317.477 2.648 20 0 DFADRP CC[NH2+]Cc1ccccc1NC(=O)C1CC[NH+](C2CC2)CC1 ZINC000422741642 296324424 /nfs/dbraw/zinc/32/44/24/296324424.db2.gz PZBAUMPIZRRUKM-UHFFFAOYSA-N 2 0 301.434 2.609 20 0 DFADRP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1[NH2+]CC(C)(C)c1ccc(Cl)cc1 ZINC000422736588 296323822 /nfs/dbraw/zinc/32/38/22/296323822.db2.gz YFKMDXPHCGNALQ-RCBQFDQVSA-N 2 0 310.869 2.960 20 0 DFADRP C[C@@H](c1ccccc1)N1CC[C@H]([NH2+]C2CCC(C[NH3+])CC2)C1 ZINC000422745838 296325176 /nfs/dbraw/zinc/32/51/76/296325176.db2.gz VVDSZFWQLPCIQK-GSHBMFQSSA-N 2 0 301.478 2.929 20 0 DFADRP C[C@H]([NH2+][C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)c1ccccn1 ZINC000422745745 296325184 /nfs/dbraw/zinc/32/51/84/296325184.db2.gz MTNNLWOXBTWRFY-UCLAIMLFSA-N 2 0 309.413 2.988 20 0 DFADRP C[C@@H](NC[C@H](c1cccs1)[NH+]1CCC(C)CC1)C1C[NH2+]C1 ZINC000422739878 296324600 /nfs/dbraw/zinc/32/46/00/296324600.db2.gz AOKYCPSOVJZCSB-GDBMZVCRSA-N 2 0 307.507 2.719 20 0 DFADRP CCOC(=O)C1([C@@H](C)[NH2+][C@H](C)c2ccccc2)CC[NH2+]CC1 ZINC000422749294 296326066 /nfs/dbraw/zinc/32/60/66/296326066.db2.gz YKQMSPQGNHHOPM-HUUCEWRRSA-N 2 0 304.434 2.659 20 0 DFADRP O=C(Nc1ccc(CC[NH+]2CCCCC2)cc1)[C@H]1CCCC[NH2+]1 ZINC000269231789 207355670 /nfs/dbraw/zinc/35/56/70/207355670.db2.gz DEODWGSVRMMTOU-GOSISDBHSA-N 2 0 315.461 2.796 20 0 DFADRP COC[C@@H](CCC[NH3+])[NH2+]C1CCN([C@@H](C)c2ccccc2)CC1 ZINC000422745900 296325310 /nfs/dbraw/zinc/32/53/10/296325310.db2.gz NAIQFPOZFJXARL-QFBILLFUSA-N 2 0 319.493 2.556 20 0 DFADRP C[C@H]([NH2+][C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)c1ccccn1 ZINC000422745737 296325383 /nfs/dbraw/zinc/32/53/83/296325383.db2.gz MTNNLWOXBTWRFY-FNHZYXHNSA-N 2 0 309.413 2.988 20 0 DFADRP Cc1nc2ccccc2n1CCC[NH2+][C@@H]1CCCC[C@@H]1C[NH3+] ZINC000422750011 296326117 /nfs/dbraw/zinc/32/61/17/296326117.db2.gz BVWDHTIVKDCZKS-HZPDHXFCSA-N 2 0 300.450 2.842 20 0 DFADRP Cc1nc2ccccc2n1CCC[NH2+][C@H]1CCCCC[C@@H]1[NH3+] ZINC000422749677 296326279 /nfs/dbraw/zinc/32/62/79/296326279.db2.gz ALQZQIBYKBLLAZ-HOTGVXAUSA-N 2 0 300.450 2.984 20 0 DFADRP COCc1cc(C[NH2+][C@@H](C)c2ccc(C[NH3+])nc2C)ccc1F ZINC000422751748 296326596 /nfs/dbraw/zinc/32/65/96/296326596.db2.gz ACGPAENBVVOULX-LBPRGKRZSA-N 2 0 317.408 2.985 20 0 DFADRP c1nc2ccccc2n1CC[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1 ZINC000422754949 296327247 /nfs/dbraw/zinc/32/72/47/296327247.db2.gz GKHHJXKKVVRFAZ-BRWVUGGUSA-N 2 0 312.461 2.937 20 0 DFADRP CC[NH+]1CCC(N[C@@H](c2ccc(OC)cc2)[C@@H]2CCC[NH2+]2)CC1 ZINC000422754236 296327352 /nfs/dbraw/zinc/32/73/52/296327352.db2.gz AIPLMNXPECJOSC-OALUTQOASA-N 2 0 317.477 2.562 20 0 DFADRP CCOc1cc(CCC[NH2+][C@@H](C)[C@@H]2CCC[NH2+]2)ccc1OC ZINC000422757464 296327847 /nfs/dbraw/zinc/32/78/47/296327847.db2.gz MVWVFRPHFRCOED-HOCLYGCPSA-N 2 0 306.450 2.757 20 0 DFADRP COc1ccc([C@@H](C[NH2+][C@H](C)CCCC[NH3+])N2CCCC2)cc1 ZINC000422760485 296328325 /nfs/dbraw/zinc/32/83/25/296328325.db2.gz QDUZFDRGGWRWQL-VQIMIIECSA-N 2 0 319.493 2.939 20 0 DFADRP COc1ccc([C@H](C[NH2+][C@@H](C)CCC[NH3+])N2CCCC2)cc1 ZINC000422761380 296328452 /nfs/dbraw/zinc/32/84/52/296328452.db2.gz REDUTHQJHMIDPF-YJBOKZPZSA-N 2 0 305.466 2.549 20 0 DFADRP C[C@H](C[C@H](C)[NH3+])[NH2+][C@H]1CCOc2ccc(Br)cc21 ZINC000422761072 296328483 /nfs/dbraw/zinc/32/84/83/296328483.db2.gz MIXMVSOKZBZXKY-CWSCBRNRSA-N 2 0 313.239 2.988 20 0 DFADRP C[C@H]([NH2+]CC1(c2ccc(F)cc2)CCOCC1)[C@@H]1CCC[NH2+]1 ZINC000422761071 296328583 /nfs/dbraw/zinc/32/85/83/296328583.db2.gz MICSYPPEYRLXOX-YOEHRIQHSA-N 2 0 306.425 2.604 20 0 DFADRP C[C@H]([NH2+]Cc1cccc(OCC[NH+](C)C)c1)[C@H]1CCCCO1 ZINC000623866259 399482635 /nfs/dbraw/zinc/48/26/35/399482635.db2.gz PZQKDIKITHCUSX-MAUKXSAKSA-N 2 0 306.450 2.674 20 0 DFADRP CC[C@@H]([NH2+]CCc1ccc2c(c1)OCCO2)[C@@H]1CCCC[NH2+]1 ZINC000422765462 296329422 /nfs/dbraw/zinc/32/94/22/296329422.db2.gz WBWLGKDYNGBBDO-CVEARBPZSA-N 2 0 304.434 2.511 20 0 DFADRP C[C@H]([NH2+]Cc1ccc(OCC[NH+](C)C)cc1)[C@H]1CCCCO1 ZINC000623866362 399482889 /nfs/dbraw/zinc/48/28/89/399482889.db2.gz SKQORIDIGRNRCS-MAUKXSAKSA-N 2 0 306.450 2.674 20 0 DFADRP [NH3+]C[C@@H]1CCC[C@H]1[NH2+]CC1(c2ccc(F)cc2)CCOCC1 ZINC000422771104 296330408 /nfs/dbraw/zinc/33/04/08/296330408.db2.gz XQHNWCWJMNJELE-WMLDXEAASA-N 2 0 306.425 2.591 20 0 DFADRP Cc1cc(F)ccc1N1CCC[C@@H]([NH2+][C@H]2CCC[NH2+]CC2)C1 ZINC000422769229 296330024 /nfs/dbraw/zinc/33/00/24/296330024.db2.gz VIWCFEPBUJFJGD-DLBZAZTESA-N 2 0 305.441 2.835 20 0 DFADRP Cc1nn(-c2ccccc2)c(C)c1C[NH2+][C@H]1CC[NH2+]CC[C@@H]1C ZINC000422768032 296330060 /nfs/dbraw/zinc/33/00/60/296330060.db2.gz NMYNKXDLPLVHFN-LIRRHRJNSA-N 2 0 312.461 2.967 20 0 DFADRP OC[C@H](C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1)Cc1ccccc1 ZINC000422771651 296330159 /nfs/dbraw/zinc/33/01/59/296330159.db2.gz XPIZXRXQIRKQDZ-ZGXWSNOMSA-N 2 0 316.489 2.738 20 0 DFADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]CCCn1cnc2ccccc21 ZINC000422781429 296331920 /nfs/dbraw/zinc/33/19/20/296331920.db2.gz KNVXCORZDNVMNV-AWEZNQCLSA-N 2 0 323.444 2.939 20 0 DFADRP C[C@@H]1CC[NH2+]C[C@H]1NC[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000422781641 296332104 /nfs/dbraw/zinc/33/21/04/296332104.db2.gz LZGZOOMMWYASEP-NZSAHSFTSA-N 2 0 301.478 2.629 20 0 DFADRP C[C@H](CCC[NH3+])[NH2+][C@@H]1CCCN(c2ccccc2Cl)C1=O ZINC000422783611 296332235 /nfs/dbraw/zinc/33/22/35/296332235.db2.gz OMGGGBIAKYAYLS-TZMCWYRMSA-N 2 0 309.841 2.552 20 0 DFADRP C[C@@H]([NH2+]CC1CCN(c2cc[nH+]cc2)CC1)[C@H]1CCCCO1 ZINC000623907698 399491236 /nfs/dbraw/zinc/49/12/36/399491236.db2.gz BDLNJRNRLYNRPB-CRAIPNDOSA-N 2 0 303.450 2.845 20 0 DFADRP [NH3+]C[C@@H]1CCC[C@H]1[NH2+]Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000422785834 296332600 /nfs/dbraw/zinc/33/26/00/296332600.db2.gz KDFYUDZLNLMCIR-RBUKOAKNSA-N 3 0 301.478 2.890 20 0 DFADRP C[C@@H]([NH2+]Cc1ccc(C[NH+]2CCCC2)cc1)c1cnccc1N ZINC000422786492 296332751 /nfs/dbraw/zinc/33/27/51/296332751.db2.gz OZYIXYYPDKFSCF-OAHLLOKOSA-N 2 0 310.445 2.941 20 0 DFADRP COc1ccc(OCC[NH2+][C@@H](Cc2ccccc2)[C@@H](C)[NH3+])cc1 ZINC000422789361 296332886 /nfs/dbraw/zinc/33/28/86/296332886.db2.gz OFECLNOSDOGWBC-BEFAXECRSA-N 2 0 314.429 2.622 20 0 DFADRP Cc1cc(C)cc(CC[NH2+][C@@H]2CCOC[C@@H]2[C@@H]2CCC[NH2+]2)c1 ZINC000422788656 296332905 /nfs/dbraw/zinc/33/29/05/296332905.db2.gz SODMTKKYBNUUAY-CEXWTWQISA-N 2 0 302.462 2.593 20 0 DFADRP C[C@H](C[NH2+][C@@H]1CCOC[C@H]1[C@@H]1CCC[NH2+]1)c1ccc(F)cc1F ZINC000422787847 296332945 /nfs/dbraw/zinc/33/29/45/296332945.db2.gz AGUCPEFRWKQYMV-BGIURUKPSA-N 2 0 324.415 2.815 20 0 DFADRP C[C@H](CCCC[NH3+])[NH2+]CCc1ccn(-c2ccc(F)cc2)n1 ZINC000422789347 296333064 /nfs/dbraw/zinc/33/30/64/296333064.db2.gz OEPRCVSZAUNVIF-CQSZACIVSA-N 2 0 304.413 2.661 20 0 DFADRP C[C@@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]CCCn1cnc2ccccc21 ZINC000422792595 296333632 /nfs/dbraw/zinc/33/36/32/296333632.db2.gz XHLGELDHCXWPRT-VQIMIIECSA-N 2 0 322.456 2.975 20 0 DFADRP C[C@@H]([NH2+]Cc1ccc(C[NH+]2CCCCC2)cc1)[C@@H]1CC[NH2+]C1 ZINC000422796624 296334408 /nfs/dbraw/zinc/33/44/08/296334408.db2.gz YRZAZRKFYCEOHK-VQIMIIECSA-N 3 0 301.478 2.760 20 0 DFADRP CC[NH+](CC)Cc1ccccc1C[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000422795853 296334424 /nfs/dbraw/zinc/33/44/24/296334424.db2.gz WVBOIBZYNSRATI-DFNIBXOVSA-N 3 0 301.478 2.901 20 0 DFADRP Cc1nn(Cc2ccccc2)c(C)c1C[NH2+][C@@H](C)C[C@@H](C)[NH3+] ZINC000422795746 296334439 /nfs/dbraw/zinc/33/44/39/296334439.db2.gz WOEFVRMJVVDPSK-KGLIPLIRSA-N 2 0 300.450 2.764 20 0 DFADRP Cc1ccccc1O[C@H](C)C[NH2+][C@@H]1CCOC[C@H]1[C@H]1CCC[NH2+]1 ZINC000422796793 296334559 /nfs/dbraw/zinc/33/45/59/296334559.db2.gz ZBDWYFGZUMUACT-XMTFNYHQSA-N 2 0 318.461 2.509 20 0 DFADRP COc1cccc(O[C@H](C)C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)c1 ZINC000422795476 296334608 /nfs/dbraw/zinc/33/46/08/296334608.db2.gz VRDCSKMZVNRKGH-GRGSLBFTSA-N 2 0 318.461 2.973 20 0 DFADRP CC[NH+](CC)[C@@H](CN[C@@H](C)[C@H]1CCC[NH2+]1)c1cccc(OC)c1 ZINC000422798723 296335191 /nfs/dbraw/zinc/33/51/91/296335191.db2.gz SNRNFOCBMQLADV-IPELMVKDSA-N 2 0 319.493 2.808 20 0 DFADRP CC[NH+](CC)[C@@H](CN[C@H](C)[C@H]1CCC[NH2+]1)c1cccc(OC)c1 ZINC000422798725 296335271 /nfs/dbraw/zinc/33/52/71/296335271.db2.gz SNRNFOCBMQLADV-LZQZEXGQSA-N 2 0 319.493 2.808 20 0 DFADRP c1ccc2c(c1)CCN(CC[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1)C2 ZINC000422802914 296335858 /nfs/dbraw/zinc/33/58/58/296335858.db2.gz HWWYUDYHIITIGX-ZCNNSNEGSA-N 2 0 313.489 2.555 20 0 DFADRP C[C@@H](CCCC[NH3+])[NH2+][C@@H](c1nccn1C)c1cccc(F)c1 ZINC000422810547 296337258 /nfs/dbraw/zinc/33/72/58/296337258.db2.gz NONFKCVVQAKJDP-XJKSGUPXSA-N 2 0 304.413 2.756 20 0 DFADRP CC[C@H](C[NH2+][C@@H]1CCC[C@H]1C[NH3+])N1CCc2ccccc2C1 ZINC000422814131 296337884 /nfs/dbraw/zinc/33/78/84/296337884.db2.gz ZQORTVOEWWXQQT-QXAKKESOSA-N 2 0 301.478 2.540 20 0 DFADRP CC[C@H](C[NH2+][C@@H]1CCC[C@@H]1C[NH3+])N1CCc2ccccc2C1 ZINC000422814129 296337952 /nfs/dbraw/zinc/33/79/52/296337952.db2.gz ZQORTVOEWWXQQT-BHIYHBOVSA-N 2 0 301.478 2.540 20 0 DFADRP COc1ccc([C@H](NCC[NH+]2CCCCC2)[C@@H]2CCC[NH2+]2)cc1 ZINC000422809973 296337384 /nfs/dbraw/zinc/33/73/84/296337384.db2.gz MVYFKFQJRKJEOM-OALUTQOASA-N 2 0 317.477 2.564 20 0 DFADRP COc1ccc([C@H]([NH2+][C@H](C)CCCC[NH3+])c2nccn2C)cc1 ZINC000422812176 296337601 /nfs/dbraw/zinc/33/76/01/296337601.db2.gz QDKHCPNURXIUJB-PBHICJAKSA-N 2 0 316.449 2.625 20 0 DFADRP C[C@H]1CC[NH2+]CC[C@@H]1[NH2+]CC(C)(C)c1ccc2c(c1)OCO2 ZINC000422819887 296338962 /nfs/dbraw/zinc/33/89/62/296338962.db2.gz JFYMESKPERIKQT-ZFWWWQNUSA-N 2 0 304.434 2.671 20 0 DFADRP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1[NH2+]C[C@@H]1CCCC[C@@H]1C(F)(F)F ZINC000422818840 296338966 /nfs/dbraw/zinc/33/89/66/296338966.db2.gz LQROWGMJTVSDAJ-PEDHHIEDSA-N 2 0 308.388 2.697 20 0 DFADRP CC[C@H](NCC[N@H+](C)Cc1ccc(F)cc1)[C@@H]1CCCC[NH2+]1 ZINC000422820901 296339232 /nfs/dbraw/zinc/33/92/32/296339232.db2.gz SVKCMCRPSIUDTK-ROUUACIJSA-N 2 0 307.457 2.768 20 0 DFADRP CC(C)(C[NH2+][C@@H]1CCCCC[C@H]1[NH3+])c1ccc2c(c1)OCO2 ZINC000422823648 296339542 /nfs/dbraw/zinc/33/95/42/296339542.db2.gz MBKJONUQPSACKY-HUUCEWRRSA-N 2 0 304.434 2.943 20 0 DFADRP [NH3+]C[C@H]1CCC[C@@H]1[NH2+]CC1CC[NH+](Cc2cccs2)CC1 ZINC000422823878 296339588 /nfs/dbraw/zinc/33/95/88/296339588.db2.gz FIOVAMJXMRBDBU-WBVHZDCISA-N 3 0 307.507 2.677 20 0 DFADRP C[C@@H]([NH2+]CC1CC[NH+](Cc2cccs2)CC1)[C@H]1CC[NH2+]C1 ZINC000422822994 296339637 /nfs/dbraw/zinc/33/96/37/296339637.db2.gz CERVVGXHVUZSAP-ZBFHGGJFSA-N 3 0 307.507 2.548 20 0 DFADRP C[C@@H](CCNC1C[C@H]2CC[C@@H](C1)[NH2+]2)[N@H+](C)Cc1ccccc1 ZINC000422825217 296340035 /nfs/dbraw/zinc/34/00/35/296340035.db2.gz PIWVDJQFMOQAAV-UBLGTCEWSA-N 2 0 301.478 2.770 20 0 DFADRP CC(C)C[NH+]1CCC(N[C@H](Cc2ccccc2)[C@@H](C)[NH3+])CC1 ZINC000422821170 296339371 /nfs/dbraw/zinc/33/93/71/296339371.db2.gz USASMBVFGFPMEN-VQIMIIECSA-N 2 0 303.494 2.655 20 0 DFADRP CC(C)(C[NH2+]C1CCC(C[NH3+])CC1)c1ccc2c(c1)OCO2 ZINC000422831161 296341252 /nfs/dbraw/zinc/34/12/52/296341252.db2.gz WJIJYDIYBNQPON-UHFFFAOYSA-N 2 0 304.434 2.800 20 0 DFADRP COc1ccccc1N1CCC([NH2+][C@H](C)[C@H]2CCCC[NH2+]2)CC1 ZINC000422839458 296342352 /nfs/dbraw/zinc/34/23/52/296342352.db2.gz QCDZZQUHXDRFNW-NVXWUHKLSA-N 2 0 317.477 2.784 20 0 DFADRP c1cc(N2CCCC2)ncc1C[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000422835259 296341675 /nfs/dbraw/zinc/34/16/75/296341675.db2.gz YJKMIBOSVZORDX-OKZBNKHCSA-N 2 0 314.477 2.692 20 0 DFADRP Cc1ccc([C@H](CN[C@H]2CCC[C@H]2C[NH3+])[NH+]2CCCC2)cc1 ZINC000422833769 296341724 /nfs/dbraw/zinc/34/17/24/296341724.db2.gz WNZQQVZVJJYQJG-FHWLQOOXSA-N 2 0 301.478 2.849 20 0 DFADRP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]C[C@@H]1CCCN(Cc2cccs2)C1 ZINC000422836182 296341976 /nfs/dbraw/zinc/34/19/76/296341976.db2.gz JKXVQIVCBTXOCT-ZOBUZTSGSA-N 2 0 307.507 2.677 20 0 DFADRP C[C@H]([NH3+])[C@H]1COCC[C@@H]1[NH2+]CCc1ccc(C(C)(C)C)cc1 ZINC000422844073 296343310 /nfs/dbraw/zinc/34/33/10/296343310.db2.gz KSRGYZURQOOHPE-QGTPRVQTSA-N 2 0 304.478 2.869 20 0 DFADRP [NH3+]C[C@H]1CCC[C@H]1[NH2+]Cc1ccc(NC(=O)c2ccncc2)cc1 ZINC000422845656 296343657 /nfs/dbraw/zinc/34/36/57/296343657.db2.gz OMMXULMVMZLIBE-SJLPKXTDSA-N 2 0 324.428 2.551 20 0 DFADRP Cc1nn(-c2ccc(F)cc2)cc1C[NH2+]C1CCC(C[NH3+])CC1 ZINC000422841242 296342636 /nfs/dbraw/zinc/34/26/36/296342636.db2.gz CSJAYHAJBBNNAF-UHFFFAOYSA-N 2 0 316.424 2.927 20 0 DFADRP CC[C@@H]([NH2+]C[C@H]1CCN(c2ccccc2OC)C1)[C@@H]1CCC[NH2+]1 ZINC000422846680 296344012 /nfs/dbraw/zinc/34/40/12/296344012.db2.gz GDRYYQAJTJOBLK-ZACQAIPSSA-N 2 0 317.477 2.642 20 0 DFADRP C[C@@H]([NH2+]Cc1ccc(C[N@@H+]2CCCC[C@@H]2C)cc1)C1C[NH2+]C1 ZINC000422853432 296345322 /nfs/dbraw/zinc/34/53/22/296345322.db2.gz BTTGEPYYHFLQAN-JKSUJKDBSA-N 3 0 301.478 2.759 20 0 DFADRP C[NH+](C)Cc1ccccc1C(=O)NCC[NH2+]C1CCCCCC1 ZINC000422857041 296345684 /nfs/dbraw/zinc/34/56/84/296345684.db2.gz GMRXMUHQNBICIY-UHFFFAOYSA-N 2 0 317.477 2.790 20 0 DFADRP Cc1c(Cl)cccc1NC(=O)CC[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000422861771 296346426 /nfs/dbraw/zinc/34/64/26/296346426.db2.gz OXHKQHIMFTYAAN-PBWFPOADSA-N 2 0 321.852 2.850 20 0 DFADRP COCCOc1cc(C)ccc1C[NH2+][C@@H]1CCCC[C@@H]1C[NH3+] ZINC000422861031 296346497 /nfs/dbraw/zinc/34/64/97/296346497.db2.gz ITRNDVJQRSBLIV-NVXWUHKLSA-N 2 0 306.450 2.627 20 0 DFADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+][C@@H]1CCN(c2ccccc2)C1 ZINC000422864188 296346786 /nfs/dbraw/zinc/34/67/86/296346786.db2.gz ULXFGYCXUDFYTQ-NVXWUHKLSA-N 2 0 310.445 2.778 20 0 DFADRP COC[C@H](CCC[NH3+])[NH2+]Cc1ccc(F)cc1C(F)(F)F ZINC000422866268 296347069 /nfs/dbraw/zinc/34/70/69/296347069.db2.gz PZJRHEVIMDKUJM-LBPRGKRZSA-N 2 0 308.319 2.688 20 0 DFADRP Cc1cc(C)n(-c2ccc(CC[NH2+][C@@H](C)CCC[NH3+])cc2)n1 ZINC000422857455 296345859 /nfs/dbraw/zinc/34/58/59/296345859.db2.gz HQJXUXDRYKLSFN-AWEZNQCLSA-N 2 0 300.450 2.749 20 0 DFADRP C[C@@H]1CCCC[N@@H+]1Cc1ccc(C[NH2+]C2CC[NH2+]CC2)cc1 ZINC000422859974 296346045 /nfs/dbraw/zinc/34/60/45/296346045.db2.gz KUNQHHJNMQAMHY-MRXNPFEDSA-N 3 0 301.478 2.903 20 0 DFADRP CSCc1cc(F)ccc1C[NH2+][C@@H]1CCOC[C@H]1[C@H](C)[NH3+] ZINC000422860648 296346339 /nfs/dbraw/zinc/34/63/39/296346339.db2.gz INKWCTXJQSNKRZ-KNXALSJPSA-N 2 0 312.454 2.531 20 0 DFADRP Cc1ccc(C[NH2+]C2CCC([NH3+])CC2)c(OC[C@H]2CCCO2)c1 ZINC000422872401 296347960 /nfs/dbraw/zinc/34/79/60/296347960.db2.gz GZOHLWRCXDGGIW-DAWZGUTISA-N 2 0 318.461 2.912 20 0 DFADRP CCOC(=O)C1([C@H](C)[NH2+][C@H]2CCCCC2(C)C)CC[NH2+]CC1 ZINC000422871914 296348001 /nfs/dbraw/zinc/34/80/01/296348001.db2.gz DWCCJSMXFQVVTA-GJZGRUSLSA-N 2 0 310.482 2.866 20 0 DFADRP Cc1cc(C)n(-c2ccc(CC[NH2+][C@@H](C)[C@@H]3CC[NH2+]C3)cc2)n1 ZINC000422867671 296347365 /nfs/dbraw/zinc/34/73/65/296347365.db2.gz STXYMACRUAWEBG-FUHWJXTLSA-N 2 0 312.461 2.619 20 0 DFADRP C[C@H]1CC[NH2+]CC[C@H]1[NH2+]Cc1csc(Br)c1 ZINC000422869617 296347775 /nfs/dbraw/zinc/34/77/75/296347775.db2.gz XTQWJQCWAPEQPV-GXSJLCMTSA-N 2 0 303.269 2.988 20 0 DFADRP CCCC(=O)Nc1ccc(C[NH2+][C@H]2CC[NH2+]CC[C@H]2C)cc1 ZINC000422879466 296349294 /nfs/dbraw/zinc/34/92/94/296349294.db2.gz KOITUKGYGKUOCI-PBHICJAKSA-N 2 0 303.450 2.903 20 0 DFADRP CCOc1cccc(C[NH2+][C@@H]2CCC[C@H]2C[NH3+])c1OC(F)F ZINC000422874184 296348302 /nfs/dbraw/zinc/34/83/02/296348302.db2.gz NFXZZOGMHSHZOS-WCQYABFASA-N 2 0 314.376 2.904 20 0 DFADRP CSc1ccc(C[NH2+][C@@H]2CCOC[C@@H]2[C@@H]2CCC[NH2+]2)cc1 ZINC000422874743 296348845 /nfs/dbraw/zinc/34/88/45/296348845.db2.gz AYHGCVRZKXOTIM-IXDOHACOSA-N 2 0 306.475 2.655 20 0 DFADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]Cc1ccc(N2CCCCC2)nc1 ZINC000422875203 296348864 /nfs/dbraw/zinc/34/88/64/296348864.db2.gz CFTBYEGPYLFTPJ-NVXWUHKLSA-N 2 0 302.466 2.550 20 0 DFADRP COc1ccc(OC(F)F)c(C[NH2+][C@@H]2CCC[C@H]2C[NH3+])c1 ZINC000422875557 296348873 /nfs/dbraw/zinc/34/88/73/296348873.db2.gz PEBGORQHVVZYIQ-GXFFZTMASA-N 2 0 300.349 2.514 20 0 DFADRP Cc1ccc(Cl)cc1N1CC[C@H](C[NH2+][C@H](C)C2C[NH2+]C2)C1 ZINC000422881603 296349920 /nfs/dbraw/zinc/34/99/20/296349920.db2.gz QQPWVPVKWHWEST-ZIAGYGMSSA-N 2 0 307.869 2.672 20 0 DFADRP Clc1ccccc1C[NH+]1CCC(C[NH2+][C@@H]2CC[NH2+]C2)CC1 ZINC000422882239 296349922 /nfs/dbraw/zinc/34/99/22/296349922.db2.gz RPPGZYKDYYQYJY-MRXNPFEDSA-N 3 0 307.869 2.504 20 0 DFADRP C[C@H]([NH3+])[C@H](Cc1ccccc1)NCC[NH+]1[C@@H](C)CCC[C@@H]1C ZINC000422883129 296350001 /nfs/dbraw/zinc/35/00/01/296350001.db2.gz BQTDQQDTRLNGIA-DWRORGKVSA-N 2 0 303.494 2.797 20 0 DFADRP COC[C@H](CCC[NH3+])[NH2+]Cc1ccc(OC)cc1C(F)(F)F ZINC000422883270 296350133 /nfs/dbraw/zinc/35/01/33/296350133.db2.gz UOVYFGQWGBBARG-LBPRGKRZSA-N 2 0 320.355 2.558 20 0 DFADRP Cc1ccccc1C1(C[NH2+][C@@H](C)[C@H]2CC[NH2+]C2)CCOCC1 ZINC000422883346 296350188 /nfs/dbraw/zinc/35/01/88/296350188.db2.gz UULKZCDPWLLFGP-IRXDYDNUSA-N 2 0 302.462 2.631 20 0 DFADRP COC[C@H](CCC[NH3+])[NH2+]CCc1coc(-c2ccc(C)cc2)n1 ZINC000422884099 296350257 /nfs/dbraw/zinc/35/02/57/296350257.db2.gz WEXBBKOTMAUWNI-INIZCTEOSA-N 2 0 317.433 2.536 20 0 DFADRP COc1ccc(CC[NH2+]C2CCC([NH3+])CC2)cc1OC(F)F ZINC000422881314 296349606 /nfs/dbraw/zinc/34/96/06/296349606.db2.gz PYNBXOJDAFGAGT-UHFFFAOYSA-N 2 0 314.376 2.699 20 0 DFADRP Cc1ccc([C@@H](CNC2C[C@H]3CC[C@@H](C2)[NH2+]3)[NH+]2CCCC2)o1 ZINC000422880800 296349675 /nfs/dbraw/zinc/34/96/75/296349675.db2.gz OSJCTZSIZOCORY-FCLJQHQZSA-N 2 0 303.450 2.598 20 0 DFADRP C[C@H]([NH2+]Cc1ccccc1C[N@@H+]1CCCC[C@@H]1C)C1C[NH2+]C1 ZINC000422880772 296349680 /nfs/dbraw/zinc/34/96/80/296349680.db2.gz MRYWXTZJKUQYRK-HOTGVXAUSA-N 3 0 301.478 2.759 20 0 DFADRP [NH3+]CC1CCC([NH2+]Cc2ccc(N3CCCCC3)nc2)CC1 ZINC000422881152 296349741 /nfs/dbraw/zinc/34/97/41/296349741.db2.gz PPIJAYZESQHMLS-UHFFFAOYSA-N 2 0 302.466 2.679 20 0 DFADRP Cc1ccc(C[NH2+][C@@H]2CCC[C@@H]2C[NH3+])c(OC[C@H]2CCCO2)c1 ZINC000422881585 296349813 /nfs/dbraw/zinc/34/98/13/296349813.db2.gz ZALXUWNYVQKYOD-KBAYOESNSA-N 2 0 318.461 2.770 20 0 DFADRP CC[NH+](CC)CCOc1ccccc1CN[C@@H](C)[C@H]1CCC[NH2+]1 ZINC000422888870 296351163 /nfs/dbraw/zinc/35/11/63/296351163.db2.gz DUUUZQNQDVPSBQ-FUHWJXTLSA-N 2 0 319.493 2.637 20 0 DFADRP CC[NH+](CC)CCOc1ccccc1CN[C@H](C)[C@@H]1CCC[NH2+]1 ZINC000422888868 296351288 /nfs/dbraw/zinc/35/12/88/296351288.db2.gz DUUUZQNQDVPSBQ-AEFFLSMTSA-N 2 0 319.493 2.637 20 0 DFADRP FC(F)(F)Oc1ccc(CC[NH2+][C@@H]2CCC[NH2+]CC2)cc1 ZINC000422887914 296350822 /nfs/dbraw/zinc/35/08/22/296350822.db2.gz BROMFDAWZJSRHL-CYBMUJFWSA-N 2 0 302.340 2.859 20 0 DFADRP Cc1ccccc1C[NH+]1CCC(N[C@H](C)[C@@H]2CCC[NH2+]2)CC1 ZINC000422899501 296352682 /nfs/dbraw/zinc/35/26/82/296352682.db2.gz OSAKGLVRCVYKHV-APWZRJJASA-N 2 0 301.478 2.690 20 0 DFADRP Cc1nccn1-c1ccc(C[NH2+]C2CCC(C[NH3+])CC2)cc1F ZINC000422899528 296352905 /nfs/dbraw/zinc/35/29/05/296352905.db2.gz HOEUSIHRNSZPDQ-UHFFFAOYSA-N 2 0 316.424 2.927 20 0 DFADRP Cc1c2cc(F)ccc2oc1C[NH2+][C@@H]1CCOC[C@@H]1[C@@H](C)[NH3+] ZINC000422900668 296353044 /nfs/dbraw/zinc/35/30/44/296353044.db2.gz JVDCHRJAKDMQOB-KCPJHIHWSA-N 2 0 306.381 2.722 20 0 DFADRP COc1ccc(COCCC[NH2+][C@H]2CC[NH2+]CC[C@H]2C)cc1 ZINC000422902138 296353511 /nfs/dbraw/zinc/35/35/11/296353511.db2.gz DCTHUFCLYCUIRY-QAPCUYQASA-N 2 0 306.450 2.580 20 0 DFADRP CC[C@H](C)NC(=O)c1cccc(C[NH2+][C@@H](C)CCCC[NH3+])c1 ZINC000422892496 296351900 /nfs/dbraw/zinc/35/19/00/296351900.db2.gz NCHNJGSWOHCSAV-GJZGRUSLSA-N 2 0 305.466 2.822 20 0 DFADRP COCCOc1ccc([C@H](C)[NH2+]C2CCC([NH3+])CC2)cc1OC ZINC000422895085 296352147 /nfs/dbraw/zinc/35/21/47/296352147.db2.gz VHBCUBQWMKXQRV-JEYLPNPQSA-N 2 0 322.449 2.641 20 0 DFADRP CC[NH+](CC)CCOc1ccc(CN[C@H](C)[C@@H]2CCC[NH2+]2)cc1 ZINC000422896312 296352186 /nfs/dbraw/zinc/35/21/86/296352186.db2.gz XQNAUXNEEWDMQZ-APWZRJJASA-N 2 0 319.493 2.637 20 0 DFADRP CCc1nc(CC[NH2+][C@@H](Cc2ccccc2)[C@@H](C)[NH3+])cs1 ZINC000422897629 296352397 /nfs/dbraw/zinc/35/23/97/296352397.db2.gz CJUOCQDFCXSPIF-CJNGLKHVSA-N 2 0 303.475 2.796 20 0 DFADRP [NH3+][C@H]1C[C@@H](NC2CC[NH+](Cc3ccccn3)CC2)c2ccccc21 ZINC000422897706 296352464 /nfs/dbraw/zinc/35/24/64/296352464.db2.gz KERTYIJJAOQYPX-VQTJNVASSA-N 2 0 322.456 2.780 20 0 DFADRP Fc1cccc(F)c1CN1CCC[C@H]([NH2+][C@H]2CCC[NH2+]CC2)C1 ZINC000422906520 296354360 /nfs/dbraw/zinc/35/43/60/296354360.db2.gz KBIWJFYWRNJNLR-GJZGRUSLSA-N 2 0 323.431 2.661 20 0 DFADRP COc1ccc(Cl)cc1N1CC[C@H]([NH2+][C@@H]2CCC[C@@H]2C[NH3+])C1 ZINC000422909706 296354531 /nfs/dbraw/zinc/35/45/31/296354531.db2.gz OUIYMDYOHIZJQA-VHDGCEQUSA-N 2 0 323.868 2.644 20 0 DFADRP C[C@@H]([NH2+]CCc1nc2ccccc2n1C(F)F)[C@H]1CC[NH2+]C1 ZINC000422910023 296354633 /nfs/dbraw/zinc/35/46/33/296354633.db2.gz HGJXHXQEKPAYOR-NEPJUHHUSA-N 2 0 308.376 2.562 20 0 DFADRP CC(C)[C@@H]1OCCC[C@@H]1C[NH2+][C@H](Cc1ccccc1)[C@H](C)[NH3+] ZINC000422921279 296355611 /nfs/dbraw/zinc/35/56/11/296355611.db2.gz PLNOHJNYSBIISB-AITUJVMLSA-N 2 0 304.478 2.986 20 0 DFADRP C[C@H](C[C@H]1COCC[NH2+]1)N[C@H](C)c1c(F)cccc1Cl ZINC000422919529 296355848 /nfs/dbraw/zinc/35/58/48/296355848.db2.gz JWVCRFIVQLEDFY-UTUOFQBUSA-N 2 0 300.805 2.897 20 0 DFADRP C[C@@H](CCc1ccc2c(c1)OCO2)[NH2+]CC(C)(C)C[NH+](C)C ZINC000119918365 195062718 /nfs/dbraw/zinc/06/27/18/195062718.db2.gz CWQQTRIJSYBSGR-AWEZNQCLSA-N 2 0 306.450 2.914 20 0 DFADRP C[C@H](C[C@H](C)[NH3+])[NH2+][C@H]1CCCN(Cc2c(F)cccc2F)C1 ZINC000422910856 296354995 /nfs/dbraw/zinc/35/49/95/296354995.db2.gz RPWXUGRYWZDVND-MJBXVCDLSA-N 2 0 311.420 2.645 20 0 DFADRP C[C@@H](CCC[NH3+])[NH2+]Cc1ccc(C(=O)N2CCCCC2)cc1 ZINC000422928482 296356617 /nfs/dbraw/zinc/35/66/17/296356617.db2.gz KSBHLWUIDYQJHV-HNNXBMFYSA-N 2 0 303.450 2.530 20 0 DFADRP C[C@H]1CC[NH2+]CC[C@@H]1[NH2+]CCc1cc(Cl)c2c(c1)OCCO2 ZINC000422930518 296356741 /nfs/dbraw/zinc/35/67/41/296356741.db2.gz USTHSOMEOXYUJH-WFASDCNBSA-N 2 0 324.852 2.631 20 0 DFADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]CCOc1ccc(Cl)cn1 ZINC000422931029 296356981 /nfs/dbraw/zinc/35/69/81/296356981.db2.gz WQLSXHXPFGOUBG-NSHDSACASA-N 2 0 320.824 2.627 20 0 DFADRP C[C@H]([NH3+])[C@H]1COCC[C@H]1[NH2+]CCOc1ccc(C(C)(C)C)cc1 ZINC000422929769 296356989 /nfs/dbraw/zinc/35/69/89/296356989.db2.gz RMKUMOOUCFHVTB-BMGDILEWSA-N 2 0 320.477 2.705 20 0 DFADRP CC(C)CCOc1ccccc1C[NH2+][C@@H]1CCOC[C@@H]1[C@@H](C)[NH3+] ZINC000422932468 296357311 /nfs/dbraw/zinc/35/73/11/296357311.db2.gz FWWNKNOKSYZOQG-KBAYOESNSA-N 2 0 320.477 2.953 20 0 DFADRP CC(C)CC(=O)N1CCC([NH2+][C@@H]2C[C@@H]([NH3+])c3ccccc32)CC1 ZINC000422937165 296358072 /nfs/dbraw/zinc/35/80/72/296358072.db2.gz NQQXEEQXYLQBNY-QZTJIDSGSA-N 2 0 315.461 2.758 20 0 DFADRP c1ccc2c(c1)O[C@]1(CC[NH2+]C1)C[C@@H]2[NH2+]C1CCSCC1 ZINC000422941032 296358270 /nfs/dbraw/zinc/35/82/70/296358270.db2.gz HMKPZSHHTQSXRA-DOTOQJQBSA-N 2 0 304.459 2.728 20 0 DFADRP FC(F)(F)c1ccc(OCC[NH2+][C@@H]2CCC[NH2+]CC2)cc1 ZINC000422939701 296358290 /nfs/dbraw/zinc/35/82/90/296358290.db2.gz IEQBRMSVOKAGPR-CYBMUJFWSA-N 2 0 302.340 2.816 20 0 DFADRP C[C@H]([NH3+])C[C@H](C)[NH2+]C1CCN(c2nc3ccccc3s2)CC1 ZINC000422934298 296357729 /nfs/dbraw/zinc/35/77/29/296357729.db2.gz CIRTVVRIVWKJDF-STQMWFEESA-N 2 0 318.490 2.981 20 0 DFADRP CCOc1ccc(OCC[N@@H+]2CCC[C@H]3C[NH2+]CC[C@@H]32)cc1 ZINC000631887490 399519869 /nfs/dbraw/zinc/51/98/69/399519869.db2.gz SBOIMDVNQYFADT-YJBOKZPZSA-N 2 0 304.434 2.538 20 0 DFADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]CCOc1ccc(F)c(F)c1 ZINC000422956789 296360667 /nfs/dbraw/zinc/36/06/67/296360667.db2.gz LYUMUOYCXYFMGJ-LLVKDONJSA-N 2 0 321.371 2.857 20 0 DFADRP CC(C)c1ccccc1OCC[NH2+][C@@H]1CCOC[C@H]1[C@@H](C)[NH3+] ZINC000422955564 296360670 /nfs/dbraw/zinc/36/06/70/296360670.db2.gz JNYLCQBKVLDQOO-HYVNUMGLSA-N 2 0 306.450 2.531 20 0 DFADRP C[C@H](CCC[NH3+])Nc1cccc(C[NH+]2C[C@@H](C)O[C@H](C)C2)c1 ZINC000422956511 296360737 /nfs/dbraw/zinc/36/07/37/296360737.db2.gz PUCLYXHNLQHHNW-BZUAXINKSA-N 2 0 305.466 2.835 20 0 DFADRP C[C@H](CCCC[NH3+])[NH2+]CCOc1ccc(Br)cc1 ZINC000422950350 296360038 /nfs/dbraw/zinc/36/00/38/296360038.db2.gz XREGWUIZGYNKSW-GFCCVEGCSA-N 2 0 315.255 2.935 20 0 DFADRP Fc1ccc(OCC[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)cc1F ZINC000422951987 296360064 /nfs/dbraw/zinc/36/00/64/296360064.db2.gz BDZDBENILMQXAA-XYPHTWIQSA-N 2 0 310.388 2.854 20 0 DFADRP CC[C@@H]([NH2+]CCCN(C(=O)C1CCC1)C1CC1)[C@@H]1CCCC[NH2+]1 ZINC000422954191 296360284 /nfs/dbraw/zinc/36/02/84/296360284.db2.gz HFODINYLCUMVEG-MSOLQXFVSA-N 2 0 321.509 2.678 20 0 DFADRP CCN(CC)C(=O)CCC[NH2+][C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1 ZINC000422954377 296360409 /nfs/dbraw/zinc/36/04/09/296360409.db2.gz HLSLRGQHYOICMO-GVDBMIGSSA-N 2 0 309.498 2.535 20 0 DFADRP [NH3+][C@H]1CCCCC[C@H]1[NH2+]CCCC(=O)N1CCc2ccccc21 ZINC000422953343 296360487 /nfs/dbraw/zinc/36/04/87/296360487.db2.gz FIJXUXYHSZININ-DLBZAZTESA-N 2 0 315.461 2.606 20 0 DFADRP C[C@@H]([NH2+]Cc1ccc(Br)c(F)c1)[C@@H]1CC[NH2+]C1 ZINC000422960215 296361225 /nfs/dbraw/zinc/36/12/25/296361225.db2.gz VSSTWZWDDKWJKP-MWLCHTKSSA-N 2 0 301.203 2.676 20 0 DFADRP Cc1noc(C)c1[C@H](C)C[NH2+][C@@H](Cc1ccccc1)[C@H](C)[NH3+] ZINC000422962025 296361271 /nfs/dbraw/zinc/36/12/71/296361271.db2.gz BRUPZQMFVGSTOH-IGCXYCKISA-N 2 0 301.434 2.943 20 0 DFADRP [NH3+][C@H]1CCCCC[C@@H]1[NH2+]CCCC(=O)N1Cc2ccccc2C1 ZINC000422959922 296361372 /nfs/dbraw/zinc/36/13/72/296361372.db2.gz UQQLQOKHFOXZND-ROUUACIJSA-N 2 0 315.461 2.559 20 0 DFADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]C[C@@H](c1ccco1)N1CCCCC1 ZINC000422966204 296362156 /nfs/dbraw/zinc/36/21/56/296362156.db2.gz QZGXQUKNFLUJQY-IKGGRYGDSA-N 2 0 305.466 2.784 20 0 DFADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]C[C@@H](c1ccco1)N1CCCCC1 ZINC000422963137 296361705 /nfs/dbraw/zinc/36/17/05/296361705.db2.gz HQAVAGGODPSRMF-ULQDDVLXSA-N 2 0 305.466 2.914 20 0 DFADRP OCc1ccc(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)cc1F ZINC000422962902 296361763 /nfs/dbraw/zinc/36/17/63/296361763.db2.gz GZRFQMXGVUTVTG-RYQLBKOJSA-N 2 0 306.425 2.718 20 0 DFADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]C[C@@H](c1ccccc1)C(C)(C)CO ZINC000422962625 296361809 /nfs/dbraw/zinc/36/18/09/296361809.db2.gz CXNLHWFNPGAYPP-NJAFHUGGSA-N 2 0 304.478 2.766 20 0 DFADRP CC[C@H](NC1CC[NH+]([C@@H](C)c2ccncc2)CC1)[C@@H]1CCC[NH2+]1 ZINC000422965576 296361868 /nfs/dbraw/zinc/36/18/68/296361868.db2.gz LQVJKEASWPMXEH-SNRMKQJTSA-N 2 0 316.493 2.727 20 0 DFADRP Cc1cc(C[NH+](C)C)cc(NC(=O)c2ccc3c(c2)C[NH2+]C3)c1 ZINC000347538753 285073208 /nfs/dbraw/zinc/07/32/08/285073208.db2.gz RXVDWNMBBUMBCM-UHFFFAOYSA-N 2 0 309.413 2.912 20 0 DFADRP CC[C@@H](NC1CC[NH+]([C@@H](C)c2ccncc2)CC1)[C@@H]1CCC[NH2+]1 ZINC000422965573 296362144 /nfs/dbraw/zinc/36/21/44/296362144.db2.gz LQVJKEASWPMXEH-IPELMVKDSA-N 2 0 316.493 2.727 20 0 DFADRP C[C@@H]([NH2+]Cc1ccccc1C[NH+]1CCC(C)CC1)C1C[NH2+]C1 ZINC000422965392 296362169 /nfs/dbraw/zinc/36/21/69/296362169.db2.gz LBFLJMCKJKVSOX-MRXNPFEDSA-N 3 0 301.478 2.616 20 0 DFADRP C[C@@H](CCC[NH3+])[NH2+]CCc1nc(-c2ccc(Cl)cc2)no1 ZINC000422959472 296361166 /nfs/dbraw/zinc/36/11/66/296361166.db2.gz SEBDZKGXGKEXTJ-NSHDSACASA-N 2 0 308.813 2.650 20 0 DFADRP CCC(CC)[C@@H](CN[C@@H](C)c1ccc(C[NH3+])nc1C)[NH+](C)C ZINC000422968600 296362679 /nfs/dbraw/zinc/36/26/79/296362679.db2.gz XGSFSLLCJDHNTE-SCLBCKFNSA-N 2 0 306.498 2.866 20 0 DFADRP C[C@H](CCC[NH3+])[NH2+]Cc1ccc(COC2CCOCC2)cc1 ZINC000422969655 296362928 /nfs/dbraw/zinc/36/29/28/296362928.db2.gz VAZUQOSGRVYZOX-OAHLLOKOSA-N 2 0 306.450 2.599 20 0 DFADRP CC(C)(CO)[C@@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccccc1 ZINC000422970738 296363047 /nfs/dbraw/zinc/36/30/47/296363047.db2.gz WUCKICKOBUMJPR-WFFDWFOESA-N 2 0 302.462 2.661 20 0 DFADRP CC(C)(CO)[C@H](C[NH2+]C1CCC(C[NH3+])CC1)c1ccccc1 ZINC000422969938 296363090 /nfs/dbraw/zinc/36/30/90/296363090.db2.gz VIANJDDINAFFHC-VMWRSERWSA-N 2 0 304.478 2.896 20 0 DFADRP c1cn(-c2ccccc2C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)cn1 ZINC000422966994 296362413 /nfs/dbraw/zinc/36/24/13/296362413.db2.gz OMDQITZBSWOJEJ-RCCFBDPRSA-N 2 0 310.445 2.883 20 0 DFADRP COc1ccc([C@H](NCCC[N@H+](C)C(C)C)[C@H]2CCC[NH2+]2)cc1 ZINC000422968544 296362433 /nfs/dbraw/zinc/36/24/33/296362433.db2.gz WXNYVVQBOSNZKW-MOPGFXCFSA-N 2 0 319.493 2.808 20 0 DFADRP CC(C)[N@@H+]1C[C@@H](C)[C@@H](N[C@H]2CC[NH2+][C@H](c3ccccc3)C2)C1 ZINC000422987759 296364185 /nfs/dbraw/zinc/36/41/85/296364185.db2.gz HJSDTIHRQFLRLN-BVBHFADKSA-N 2 0 301.478 2.798 20 0 DFADRP C[C@H](C[C@H](C)[NH3+])[NH2+]C[C@H](CO)Cc1ccc(C(F)(F)F)cc1 ZINC000422985746 296364200 /nfs/dbraw/zinc/36/42/00/296364200.db2.gz ADUAIWAYUWRQFR-OUCADQQQSA-N 2 0 318.383 2.572 20 0 DFADRP CC(C)[NH+]1CCC(N[C@H]2CC[NH2+][C@H](c3ccccc3)C2)CC1 ZINC000422996740 296365193 /nfs/dbraw/zinc/36/51/93/296365193.db2.gz UFUPWSBGGRRKDN-OALUTQOASA-N 2 0 301.478 2.942 20 0 DFADRP CCc1nn(C)c(CC)c1C[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1 ZINC000422997198 296365218 /nfs/dbraw/zinc/36/52/18/296365218.db2.gz AWFUNIZPMYMYHH-JCGIZDLHSA-N 2 0 318.509 2.945 20 0 DFADRP Cc1cc(C[C@H](C)[NH2+][C@H]2CCC[NH2+]CC2)n(-c2ccccc2)n1 ZINC000422994502 296364946 /nfs/dbraw/zinc/36/49/46/296364946.db2.gz HXFXWLPZOXXZFX-RDJZCZTQSA-N 2 0 312.461 2.843 20 0 DFADRP C[C@H]([NH3+])C[C@H](C)[NH2+]C[C@@H](CO)Cc1ccccc1C(F)(F)F ZINC000422994771 296364972 /nfs/dbraw/zinc/36/49/72/296364972.db2.gz WDVPZWBODWCLCO-AVGNSLFASA-N 2 0 318.383 2.572 20 0 DFADRP COc1cccc(COCC[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)c1 ZINC000423002822 296365896 /nfs/dbraw/zinc/36/58/96/296365896.db2.gz JXTNMBLYMKOZPK-QRVBRYPASA-N 2 0 318.461 2.722 20 0 DFADRP C[C@@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]CC1(CCO)CCCCC1 ZINC000423001537 296365982 /nfs/dbraw/zinc/36/59/82/296365982.db2.gz DVJAYUCWECDAKK-SJLPKXTDSA-N 2 0 304.478 2.867 20 0 DFADRP CCc1nn(C)c(CC)c1C[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1 ZINC000422997199 296365376 /nfs/dbraw/zinc/36/53/76/296365376.db2.gz AWFUNIZPMYMYHH-ZTFGCOKTSA-N 2 0 318.509 2.945 20 0 DFADRP CC[NH+](CC)[C@@H](C(=O)N[C@@H](C)c1nccn1C)c1ccccc1 ZINC000620594573 399533259 /nfs/dbraw/zinc/53/32/59/399533259.db2.gz GBSOSLXJSSNQBL-GOEBONIOSA-N 2 0 314.433 2.680 20 0 DFADRP C[C@@H]([NH2+]Cc1ccc(OCCC[NH+](C)C)cc1)c1cn[nH]c1 ZINC000270200662 208267012 /nfs/dbraw/zinc/26/70/12/208267012.db2.gz MJIXEODBEVTEEJ-CQSZACIVSA-N 2 0 302.422 2.591 20 0 DFADRP C[C@H](CCC[NH3+])[NH2+][C@H]1CCN(C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000423009017 296367112 /nfs/dbraw/zinc/36/71/12/296367112.db2.gz BPFVNRYTBPFPFA-XFBWCDHKSA-N 2 0 313.848 2.941 20 0 DFADRP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]Cc1cccc(COCC(F)(F)F)c1 ZINC000423005342 296366332 /nfs/dbraw/zinc/36/63/32/296366332.db2.gz RNPPSIHZAQMVCH-GJZGRUSLSA-N 2 0 316.367 2.983 20 0 DFADRP C[C@H]([NH2+]CC[C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1)[C@@H]1CC[NH2+]C1 ZINC000423006775 296366592 /nfs/dbraw/zinc/36/65/92/296366592.db2.gz WIDPQDBNBPTAFX-RAUXBKROSA-N 3 0 315.505 2.875 20 0 DFADRP Cc1cn2c(n1)[C@H](C[NH2+][C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1)CCC2 ZINC000423005735 296366868 /nfs/dbraw/zinc/36/68/68/296366868.db2.gz NDCBBALCTHGEJZ-MWDXBVQZSA-N 2 0 302.466 2.579 20 0 DFADRP C[C@H](C[NH2+][C@@H]1CCCC[C@H]1C[NH3+])c1nc(-c2ccccc2)no1 ZINC000423014038 296367697 /nfs/dbraw/zinc/36/76/97/296367697.db2.gz NXDUQVMZOBXECP-VNQPRFMTSA-N 2 0 314.433 2.947 20 0 DFADRP [NH3+]C[C@H]1CCCC[C@@H]1[NH2+]CCOc1cccc(C(F)(F)F)n1 ZINC000423014873 296367807 /nfs/dbraw/zinc/36/78/07/296367807.db2.gz PZEIKWGGXFHQRD-NEPJUHHUSA-N 2 0 317.355 2.586 20 0 DFADRP C[C@@H](Cc1cc(Br)ccc1F)[NH2+][C@@H](C)C1C[NH2+]C1 ZINC000423013483 296367890 /nfs/dbraw/zinc/36/78/90/296367890.db2.gz MXCVVZBPAGGSCT-UWVGGRQHSA-N 2 0 315.230 2.717 20 0 DFADRP CCO[C@@H](C[N@@H+]1CC[C@H](CN(C)Cc2cccnc2)C1)C1CC1 ZINC000625378477 399539216 /nfs/dbraw/zinc/53/92/16/399539216.db2.gz ICEHWEJMMSUGCF-MJGOQNOKSA-N 2 0 317.477 2.650 20 0 DFADRP COc1ccc(OC)c(CCC[NH2+][C@@H]2CCCCC[C@@H]2[NH3+])c1 ZINC000423015749 296368024 /nfs/dbraw/zinc/36/80/24/296368024.db2.gz RLAHSWYWSZRUAR-DLBZAZTESA-N 2 0 306.450 2.886 20 0 DFADRP CN1CC[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)[C@H]1c1ccc(Cl)cc1 ZINC000423015814 296368155 /nfs/dbraw/zinc/36/81/55/296368155.db2.gz RWFMPUIDJMNYPT-ZFHLEULCSA-N 2 0 319.880 2.958 20 0 DFADRP COc1cc(F)cc(C[NH2+][C@H](C)c2ccc(C[NH3+])nc2C)c1 ZINC000423017285 296368180 /nfs/dbraw/zinc/36/81/80/296368180.db2.gz OHRZMCBJMWEQTG-LLVKDONJSA-N 2 0 303.381 2.847 20 0 DFADRP CC[C@H](CSC)[NH2+][C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423019173 296368330 /nfs/dbraw/zinc/36/83/30/296368330.db2.gz UICKGAAAITZEDN-UKPHBRMFSA-N 2 0 306.475 2.974 20 0 DFADRP Cc1cnccc1CC[NH2+][C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423012612 296367428 /nfs/dbraw/zinc/36/74/28/296367428.db2.gz LELIPBLCZIBWOV-QUCCMNQESA-N 2 0 323.440 2.778 20 0 DFADRP COc1ccc(OC)c(CCC[NH2+][C@@H]2CCCC[C@@H]2C[NH3+])c1 ZINC000423018795 296368567 /nfs/dbraw/zinc/36/85/67/296368567.db2.gz ZTRJGFJGNWQLND-NVXWUHKLSA-N 2 0 306.450 2.744 20 0 DFADRP C[C@H](CCCC[NH3+])[NH2+][C@@H]1CCN(C)[C@@H]1c1ccc(F)c(F)c1 ZINC000423023121 296368843 /nfs/dbraw/zinc/36/88/43/296368843.db2.gz JANDKHQEHQELAF-CSMYWGQOSA-N 2 0 311.420 2.817 20 0 DFADRP CC(C)[NH+]1CCN(c2cccc(N[C@@H](C)[C@@H]3CCC[NH2+]3)c2)CC1 ZINC000423029172 296369504 /nfs/dbraw/zinc/36/95/04/296369504.db2.gz RUSZUPAWYRBYJR-LPHOPBHVSA-N 2 0 316.493 2.769 20 0 DFADRP COc1ccccc1OC[C@@H](C)C[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000423029795 296369511 /nfs/dbraw/zinc/36/95/11/296369511.db2.gz VPLJTBJZNOUMPN-LSVZVQIISA-N 2 0 304.434 2.583 20 0 DFADRP COCC[C@H](Cc1ccco1)[NH2+][C@@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000423028566 296369521 /nfs/dbraw/zinc/36/95/21/296369521.db2.gz GSEDGPRVBQPQPB-FSPWUOQZSA-N 2 0 300.402 2.962 20 0 DFADRP CC[C@@H]([NH2+]C[C@H](C)COc1ccccc1OC)[C@@H]1CCC[NH2+]1 ZINC000423028274 296369608 /nfs/dbraw/zinc/36/96/08/296369608.db2.gz SNFYOTYVHXHDOD-XHSDSOJGSA-N 2 0 306.450 2.830 20 0 DFADRP Clc1ccc(N2CC[C@H]([NH2+]C3C[C@H]4CC[C@@H](C3)[NH2+]4)C2)cc1 ZINC000423030582 296369863 /nfs/dbraw/zinc/36/98/63/296369863.db2.gz TXKVTGUHMWYKLC-QGPPMGRFSA-N 2 0 305.853 2.791 20 0 DFADRP COc1ccc(C[C@@H](C)C[NH2+]C2CCC([NH3+])CC2)cc1OC ZINC000423031645 296369886 /nfs/dbraw/zinc/36/98/86/296369886.db2.gz XKERWMAQUMTVJQ-IUDNXUCKSA-N 2 0 306.450 2.742 20 0 DFADRP CCC[N@H+](C)CC(C)(C)NC(=O)c1cccc(C[NH+](C)C)c1 ZINC000620623615 399546242 /nfs/dbraw/zinc/54/62/42/399546242.db2.gz BOTSNAKHNLHZSU-UHFFFAOYSA-N 2 0 305.466 2.598 20 0 DFADRP Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000423041742 296370948 /nfs/dbraw/zinc/37/09/48/296370948.db2.gz JQALCHXDDYZTLI-GXFFZTMASA-N 2 0 318.387 2.855 20 0 DFADRP Fc1ccc(N2CC[C@H]([NH2+]C3C[C@H]4CC[C@@H](C3)[NH2+]4)C2)cc1Cl ZINC000423045021 296371391 /nfs/dbraw/zinc/37/13/91/296371391.db2.gz RXSQLEIVYWWCHJ-WJLOJVBCSA-N 2 0 323.843 2.930 20 0 DFADRP [NH3+]C1CCC([NH2+][C@H]2CCN(c3ccc(F)c(Cl)c3)C2)CC1 ZINC000423047769 296371621 /nfs/dbraw/zinc/37/16/21/296371621.db2.gz VTJRTBIVSNDVJL-BPCQOVAHSA-N 2 0 311.832 2.917 20 0 DFADRP COc1ccc2c(c1)CCC[C@@H]2C[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000423046895 296371815 /nfs/dbraw/zinc/37/18/15/296371815.db2.gz GGPJLKIHGHOSTQ-VPSFDDGASA-N 2 0 300.446 2.988 20 0 DFADRP [NH3+]C1CCC([NH2+]CCN2CCc3c(Cl)cccc3C2)CC1 ZINC000423054320 296372678 /nfs/dbraw/zinc/37/26/78/296372678.db2.gz BRHDXMUJIWGAGW-UHFFFAOYSA-N 2 0 307.869 2.558 20 0 DFADRP CCC(CC)(C[NH2+][C@H](C)C1C[NH2+]C1)c1ccc(OC)c(OC)c1 ZINC000423055737 296372745 /nfs/dbraw/zinc/37/27/45/296372745.db2.gz WYQKFTUQLAAMBH-CQSZACIVSA-N 2 0 320.477 2.959 20 0 DFADRP COc1ccccc1[C@@H](C[NH2+][C@@H]1CCC[NH2+]CC1)OC(C)C ZINC000423053888 296372324 /nfs/dbraw/zinc/37/23/24/296372324.db2.gz SJWHQGQADVKDGI-CRAIPNDOSA-N 2 0 306.450 2.893 20 0 DFADRP CN1C[C@H](C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)Cc2ccccc21 ZINC000423059895 296373453 /nfs/dbraw/zinc/37/34/53/296373453.db2.gz NBWFVOUHYAYDGW-GDAAHCPNSA-N 2 0 313.489 2.805 20 0 DFADRP CN1C[C@H](C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)Cc2ccccc21 ZINC000423059894 296373480 /nfs/dbraw/zinc/37/34/80/296373480.db2.gz NBWFVOUHYAYDGW-DSLXNQLJSA-N 2 0 313.489 2.805 20 0 DFADRP CCOC(=O)C1([C@H](C)[NH2+][C@@H]2CCCC(C)(C)C2)CC[NH2+]CC1 ZINC000423059453 296373562 /nfs/dbraw/zinc/37/35/62/296373562.db2.gz LSLWBDGGTRZHHF-LSDHHAIUSA-N 2 0 310.482 2.866 20 0 DFADRP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1[NH2+][C@@H]1CC[C@H](Cc2ccccc2)C1 ZINC000423061126 296373614 /nfs/dbraw/zinc/37/36/14/296373614.db2.gz QFMXPGYROXZLHY-DZRGKWQISA-N 2 0 302.462 2.740 20 0 DFADRP Cc1ccccc1C[C@H](CO)[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1 ZINC000423058461 296373003 /nfs/dbraw/zinc/37/30/03/296373003.db2.gz JNDYMDYURJRFJI-YSTOQKLRSA-N 2 0 316.489 2.799 20 0 DFADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]C[C@@](C)(O)C1CCCCC1 ZINC000423069053 296374536 /nfs/dbraw/zinc/37/45/36/296374536.db2.gz CYCLVMRPXVGFOU-FZKQIMNGSA-N 2 0 305.466 2.831 20 0 DFADRP COC[C@@H](CCC[NH3+])[NH2+]Cc1ccc(C(F)(F)F)cc1C ZINC000423064007 296373960 /nfs/dbraw/zinc/37/39/60/296373960.db2.gz XUSSEIVXHCCWBJ-CQSZACIVSA-N 2 0 304.356 2.857 20 0 DFADRP Cc1ccccc1[C@@H]([C@@H](C)NC1C[C@H]2CC[C@@H](C1)[NH2+]2)[NH+](C)C ZINC000423064660 296374147 /nfs/dbraw/zinc/37/41/47/296374147.db2.gz ZKEMFHJTAMWDQR-RDCJPKHASA-N 2 0 301.478 2.859 20 0 DFADRP CC[C@H]([NH2+][C@H]1CCc2cnn(C(C)C)c2C1)[C@@H]1CCCC[NH2+]1 ZINC000423072555 296374968 /nfs/dbraw/zinc/37/49/68/296374968.db2.gz JPGIWKKAAYDVSL-ULQDDVLXSA-N 2 0 304.482 2.832 20 0 DFADRP CC[NH+](CC)Cc1ccc(C(=O)N2CCCC[C@@H]2C[NH+](C)C)o1 ZINC000620642616 399552087 /nfs/dbraw/zinc/55/20/87/399552087.db2.gz SVDQPVWAOQKMEQ-OAHLLOKOSA-N 2 0 321.465 2.678 20 0 DFADRP CCOC[C@H]([NH2+][C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)C(C)C ZINC000423074494 296375174 /nfs/dbraw/zinc/37/51/74/296375174.db2.gz UVGOMFUMWIAKDE-LNLFQRSKSA-N 2 0 318.461 2.893 20 0 DFADRP CO[C@H](CC[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1)C(F)(F)F ZINC000423073656 296375345 /nfs/dbraw/zinc/37/53/45/296375345.db2.gz ROZYIHWYBUWCLL-AAVRWANBSA-N 2 0 308.388 2.854 20 0 DFADRP C[C@@H](NC[C@H]1CCC[N@@H+]1C)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000624101210 399553841 /nfs/dbraw/zinc/55/38/41/399553841.db2.gz QOFXJAMPHBLNSU-BHIYHBOVSA-N 2 0 301.478 2.581 20 0 DFADRP [NH3+][C@@H]1CCCCC[C@@H]1NC[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000423081987 296376080 /nfs/dbraw/zinc/37/60/80/296376080.db2.gz CGCJEKFFITZURJ-OTWHNJEPSA-N 3 0 301.478 2.758 20 0 DFADRP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]C[C@]1(Cc2ccc(F)cc2)CCC[C@H]1O ZINC000423080018 296375982 /nfs/dbraw/zinc/37/59/82/296375982.db2.gz ZDOFTFQUQLJUJT-GDAAHCPNSA-N 2 0 320.452 2.616 20 0 DFADRP Fc1ccc2c(c1)[C@@H]([NH2+][C@@H]1CCOC[C@@H]1[C@H]1CCC[NH2+]1)CCC2 ZINC000423087023 296376618 /nfs/dbraw/zinc/37/66/18/296376618.db2.gz OQAWZIMFDGUDTF-AKHDSKFASA-N 2 0 318.436 2.950 20 0 DFADRP COCCC[C@@H](Cc1ccccc1)[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000423087191 296376700 /nfs/dbraw/zinc/37/67/00/296376700.db2.gz OZAUHTLSYBKSJM-HTUJPFKRSA-N 2 0 302.462 2.897 20 0 DFADRP CSC1(C[NH2+][C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)CC1 ZINC000423088903 296377060 /nfs/dbraw/zinc/37/70/60/296377060.db2.gz RFIFBKYUUZGZIG-ZBFHGGJFSA-N 2 0 304.459 2.728 20 0 DFADRP c1ccc([C@H]2C[C@@H]([NH2+]CC3CC[NH+](C4CC4)CC3)CCN2)cc1 ZINC000423083754 296376462 /nfs/dbraw/zinc/37/64/62/296376462.db2.gz GTGIWSHEFGPNGI-AZUAARDMSA-N 2 0 313.489 2.944 20 0 DFADRP FC(F)(F)COc1cccc(CC[NH2+]C2CC[NH2+]CC2)c1 ZINC000423096088 296377947 /nfs/dbraw/zinc/37/79/47/296377947.db2.gz OAKCWGSSZWFBAL-UHFFFAOYSA-N 2 0 302.340 2.512 20 0 DFADRP COc1ccc(C[C@H](C)[NH2+]C[C@H]2CCCC[N@H+](C)C2)cc1OC ZINC000624119542 399558985 /nfs/dbraw/zinc/55/89/85/399558985.db2.gz DSWHZQHYTZPDTI-DOTOQJQBSA-N 2 0 320.477 2.956 20 0 DFADRP C[C@@H]([NH2+]C[C@@H]1CCCC[N@H+](C)C1)c1ccc2c(c1)CCC(=O)N2 ZINC000624121054 399560147 /nfs/dbraw/zinc/56/01/47/399560147.db2.gz MTGIQYVHBLWCGH-CABCVRRESA-N 2 0 315.461 2.954 20 0 DFADRP C[C@@H]1COCC[C@@H]1C[NH2+][C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423109042 296379167 /nfs/dbraw/zinc/37/91/67/296379167.db2.gz NDIJWANNKBRDAJ-FXRXJOCMSA-N 2 0 316.445 2.505 20 0 DFADRP [NH3+]C[C@H]1CCCC[C@H]1[NH2+]Cc1ccncc1OCC(F)(F)F ZINC000423106373 296378911 /nfs/dbraw/zinc/37/89/11/296378911.db2.gz RLGIUFCYGMTIOF-DGCLKSJQSA-N 2 0 317.355 2.630 20 0 DFADRP COc1cccc(OC(F)(F)F)c1C[NH2+][C@@H](C)CCC[NH3+] ZINC000423113517 296379988 /nfs/dbraw/zinc/37/99/88/296379988.db2.gz UKXJLCFIGVXFRD-JTQLQIEISA-N 2 0 306.328 2.811 20 0 DFADRP C[C@H]([NH2+]C[C@@H]1CCCC[N@H+](C)C1)c1ccc2[nH]c(=O)oc2c1 ZINC000624124154 399562433 /nfs/dbraw/zinc/56/24/33/399562433.db2.gz YPOHPLVPXZGGKJ-STQMWFEESA-N 2 0 303.406 2.916 20 0 DFADRP C[C@H](C[C@H]1COCCN1)[NH2+]C[C@H]1CCCC[C@H]1C(F)(F)F ZINC000423118454 296380560 /nfs/dbraw/zinc/38/05/60/296380560.db2.gz AQCPSUTWGKUKNY-YIYPIFLZSA-N 2 0 308.388 2.712 20 0 DFADRP C[C@@H]1CC[NH2+]C[C@H]1NC[C@H](Cc1ccccc1)C(F)(F)F ZINC000423121144 296380598 /nfs/dbraw/zinc/38/05/98/296380598.db2.gz HYWUFHSYMDTXAT-VHDGCEQUSA-N 2 0 300.368 2.995 20 0 DFADRP C[C@@H](N[C@@H]1c2ccccc2CC12CCOCC2)[C@@H]1CCC[NH2+]1 ZINC000423121152 296380787 /nfs/dbraw/zinc/38/07/87/296380787.db2.gz IAROMUMMZOARHZ-FHLIZLRMSA-N 2 0 300.446 2.811 20 0 DFADRP CC(C)Oc1ccc([C@H](C[NH2+][C@@H](C)CCC[NH3+])N(C)C)cc1 ZINC000423118516 296380857 /nfs/dbraw/zinc/38/08/57/296380857.db2.gz AXLLLRPWSOLZHO-YJBOKZPZSA-N 2 0 307.482 2.794 20 0 DFADRP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+]CCc1cccc(C(F)(F)F)n1 ZINC000423122473 296381125 /nfs/dbraw/zinc/38/11/25/296381125.db2.gz CJWIZNOIGDWJBE-OLZOCXBDSA-N 2 0 301.356 2.893 20 0 DFADRP [NH3+]CC1CCC([NH2+]C[C@@H]2CCN(c3ccccc3F)C2)CC1 ZINC000423132086 296382183 /nfs/dbraw/zinc/38/21/83/296382183.db2.gz BMFUTOXUQDNOGD-PCKAHOCUSA-N 2 0 305.441 2.759 20 0 DFADRP CC(C)Oc1ccc([C@H](C[NH2+][C@H](C)[C@H]2CC[NH2+]C2)N(C)C)cc1 ZINC000423131880 296382321 /nfs/dbraw/zinc/38/23/21/296382321.db2.gz TVOFSMKCJRLXRM-AYBZRNKSSA-N 2 0 319.493 2.664 20 0 DFADRP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]C[C@H](CO)C1CCCCC1 ZINC000423129541 296381829 /nfs/dbraw/zinc/38/18/29/296381829.db2.gz FFMCFMZQKXDJQX-KFKAGJAMSA-N 2 0 304.478 2.723 20 0 DFADRP COc1ccc(CC[NH2+][C@H](C)C[C@H](C)[NH3+])c(Cl)c1OC ZINC000423129186 296381917 /nfs/dbraw/zinc/38/19/17/296381917.db2.gz DZNGJLIQVAOXCO-WDEREUQCSA-N 2 0 300.830 2.615 20 0 DFADRP COc1ccc(CC[NH2+][C@H]2CCC[C@@H]2C[NH3+])c(Cl)c1OC ZINC000423133582 296382531 /nfs/dbraw/zinc/38/25/31/296382531.db2.gz KZKOPUKTUNUZSU-OLZOCXBDSA-N 2 0 312.841 2.617 20 0 DFADRP C[C@@H]1CC[NH2+]C[C@@H]1NC[C@@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000423133771 296382578 /nfs/dbraw/zinc/38/25/78/296382578.db2.gz CWFYCZQFSRZXPC-HOJAQTOUSA-N 2 0 315.505 2.876 20 0 DFADRP C[C@H]1CC[NH2+]CC[C@H]1[NH2+]CCc1cccc(C(F)(F)F)n1 ZINC000423134392 296382682 /nfs/dbraw/zinc/38/26/82/296382682.db2.gz RSKOHLQJNIFSPQ-WCQYABFASA-N 2 0 301.356 2.621 20 0 DFADRP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]CCc1cnc(SC2CCCC2)nc1 ZINC000423133374 296382752 /nfs/dbraw/zinc/38/27/52/296382752.db2.gz KDQJAOZTPHVPNO-HOCLYGCPSA-N 2 0 320.506 2.771 20 0 DFADRP C[C@H](CCC[NH3+])[NH2+][C@@H]1CCCN([C@@H](C)c2ccc(F)cc2)C1=O ZINC000423135576 296382964 /nfs/dbraw/zinc/38/29/64/296382964.db2.gz NYFVGXXLSRVCSP-JKIFEVAISA-N 2 0 321.440 2.595 20 0 DFADRP C[C@H](c1ccc(F)cc1)N1CCC[C@H]([NH2+][C@@H](C)C[C@H](C)[NH3+])C1=O ZINC000423137255 296383104 /nfs/dbraw/zinc/38/31/04/296383104.db2.gz QJYDMRXPJOHHGI-ZJOBFFGXSA-N 2 0 321.440 2.593 20 0 DFADRP CC(C)Cc1ccc([C@@H](CNC2CC[NH2+]CC2)[NH+](C)C)cc1 ZINC000423135941 296383140 /nfs/dbraw/zinc/38/31/40/296383140.db2.gz YKRJQJIOTUHBNO-LJQANCHMSA-N 2 0 303.494 2.829 20 0 DFADRP CC(C)Cc1ccc([C@H](CN[C@H]2CCC[C@H]2[NH3+])[NH+](C)C)cc1 ZINC000423136790 296383145 /nfs/dbraw/zinc/38/31/45/296383145.db2.gz ZLILBXDAUICZMH-QYZOEREBSA-N 2 0 303.494 2.957 20 0 DFADRP c1ccc([C@@H]2C[C@H]2C[NH2+][C@@H]2CCOC[C@@H]2[C@@H]2CCC[NH2+]2)cc1 ZINC000423136959 296383193 /nfs/dbraw/zinc/38/31/93/296383193.db2.gz QESGSDPEBKQQPJ-QXCZDIPSSA-N 2 0 300.446 2.537 20 0 DFADRP C[C@H](c1ccc(F)cc1)N1CCC[C@@H]([NH2+][C@@H](C)C[C@H](C)[NH3+])C1=O ZINC000423137253 296383230 /nfs/dbraw/zinc/38/32/30/296383230.db2.gz QJYDMRXPJOHHGI-SZOQZIPDSA-N 2 0 321.440 2.593 20 0 DFADRP C[C@H]1CC[NH2+]C[C@@H]1NCCc1cnc(SC2CCCC2)nc1 ZINC000423137821 296383351 /nfs/dbraw/zinc/38/33/51/296383351.db2.gz RTTJLKXHFSRBKI-BBRMVZONSA-N 2 0 320.506 2.641 20 0 DFADRP Fc1cccc2c1CCC[C@@H]2[NH2+][C@@H]1CCOC[C@H]1[C@H]1CCC[NH2+]1 ZINC000423144434 296384108 /nfs/dbraw/zinc/38/41/08/296384108.db2.gz GVOOZGJFAINFMZ-WZGPROSRSA-N 2 0 318.436 2.950 20 0 DFADRP CCN1C[C@H]([NH2+]Cc2cccc(C[NH+]3CCCC3)c2)[C@@H](C)C1 ZINC000347728295 285148323 /nfs/dbraw/zinc/14/83/23/285148323.db2.gz VFOYZVCZKOPSKL-LPHOPBHVSA-N 2 0 301.478 2.712 20 0 DFADRP COCC[C@@H]1CCC[C@H]1[NH2+]CC1(SC)CC[NH+](C)CC1 ZINC000353627428 285148416 /nfs/dbraw/zinc/14/84/16/285148416.db2.gz KIIQURPRUZRWJT-LSDHHAIUSA-N 2 0 300.512 2.609 20 0 DFADRP CC[NH+](CC)[C@H](CNC(=O)C[NH+]1[C@@H](C)CC[C@@H]1C)c1ccco1 ZINC000120277745 195134155 /nfs/dbraw/zinc/13/41/55/195134155.db2.gz AAEGHVCPKCWXTK-HRCADAONSA-N 2 0 321.465 2.652 20 0 DFADRP O[C@H]1CCCC[C@@H]1C[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000158248086 197256660 /nfs/dbraw/zinc/25/66/60/197256660.db2.gz SLSRJEUTISFXBN-QUCCMNQESA-N 2 0 316.489 2.834 20 0 DFADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]C[C@H]1CCO[C@@H](C(C)C)C1 ZINC000423156030 296386200 /nfs/dbraw/zinc/38/62/00/296386200.db2.gz RORCIZWZKDTCFA-DHSIGJKJSA-N 2 0 305.466 2.951 20 0 DFADRP CC(C)(C)[N@@H+]1CC[C@@H]1CNC(=O)[C@H]1CCCC[NH+]1C1CCCC1 ZINC000617009084 399568936 /nfs/dbraw/zinc/56/89/36/399568936.db2.gz RXLIVBNIKCZMFY-IAGOWNOFSA-N 2 0 321.509 2.773 20 0 DFADRP C[C@H](C[C@H](C)[NH3+])[NH2+][C@@H](CCO)c1cccc(C(F)(F)F)c1 ZINC000423161446 296386808 /nfs/dbraw/zinc/38/68/08/296386808.db2.gz RUQWAXRZJQGNMA-WDMOLILDSA-N 2 0 304.356 2.844 20 0 DFADRP CC(C)(O)C(C)(C)C[NH2+][C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423162468 296387018 /nfs/dbraw/zinc/38/70/18/296387018.db2.gz PIWPIVNCEWIGOT-HNAYVOBHSA-N 2 0 318.461 2.629 20 0 DFADRP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]CC(C)(C)C1(O)CCCC1 ZINC000423168332 296387187 /nfs/dbraw/zinc/38/71/87/296387187.db2.gz UJWMTEXSBJXGJW-DOTOQJQBSA-N 2 0 304.478 2.866 20 0 DFADRP COC[C@@H](CCC[NH3+])N1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC000423167760 296387240 /nfs/dbraw/zinc/38/72/40/296387240.db2.gz XCNCNGBNQQCIEW-MRXNPFEDSA-N 2 0 313.530 2.573 20 0 DFADRP Cc1cccnc1CC[NH2+][C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423159306 296386443 /nfs/dbraw/zinc/38/64/43/296386443.db2.gz XUJAOGZNRFPHSO-ICSRJNTNSA-N 2 0 323.440 2.778 20 0 DFADRP C[C@@H]1CCC[N@H+](CC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)[C@H]1C ZINC000249277183 296387583 /nfs/dbraw/zinc/38/75/83/296387583.db2.gz DMEQJDDXWOIUEM-RYRKJORJSA-N 2 0 317.477 2.526 20 0 DFADRP C[NH+]1CCC(CC[NH2+]Cc2cncc(Br)c2)CC1 ZINC000157884406 197223986 /nfs/dbraw/zinc/22/39/86/197223986.db2.gz MJXOROBADRXGKR-UHFFFAOYSA-N 2 0 312.255 2.666 20 0 DFADRP COC[C@H](CCC[NH3+])N1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC000423167759 296387363 /nfs/dbraw/zinc/38/73/63/296387363.db2.gz XCNCNGBNQQCIEW-INIZCTEOSA-N 2 0 313.530 2.573 20 0 DFADRP C[C@@H]([NH2+]CCCN1CC[NH2+]CC1)c1ccc(C(F)(F)F)cc1 ZINC000423176832 296388454 /nfs/dbraw/zinc/38/84/54/296388454.db2.gz IBSDDYNIRXUGBY-CYBMUJFWSA-N 2 0 315.383 2.651 20 0 DFADRP CC[C@H](C[NH2+][C@@H]1CCOC[C@H]1[C@H]1CCC[NH2+]1)CC(F)(F)F ZINC000423187479 296389973 /nfs/dbraw/zinc/38/99/73/296389973.db2.gz PQZSXZJPHKICDK-IGQOVBAYSA-N 2 0 308.388 2.712 20 0 DFADRP FC(F)(F)Oc1ccc2c(c1)[C@@H]([NH2+]C1CC[NH2+]CC1)CC2 ZINC000423187759 296390019 /nfs/dbraw/zinc/39/00/19/296390019.db2.gz PMEOIRFXESAGPB-AWEZNQCLSA-N 2 0 300.324 2.914 20 0 DFADRP C[C@@H]1C[C@H](C[NH2+][C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)[C@H](C)O1 ZINC000423185542 296389596 /nfs/dbraw/zinc/38/95/96/296389596.db2.gz NXSFCBUVGYTJNU-VLKZTRAZSA-N 2 0 316.445 2.645 20 0 DFADRP Cc1ccc([C@H]([NH2+]CCCN2CC[NH2+]CC2)c2ccccc2)cc1 ZINC000423193025 296390768 /nfs/dbraw/zinc/39/07/68/296390768.db2.gz WGEFBTFSXHNCSG-OAQYLSRUSA-N 2 0 323.484 2.969 20 0 DFADRP c1ccc(C[N@@H+]2CC[C@H](NC3CC[NH2+]CC3)[C@H]3CCC[C@@H]32)cc1 ZINC000423194766 296390853 /nfs/dbraw/zinc/39/08/53/296390853.db2.gz YSKOEUXOWTVWRQ-AABGKKOBSA-N 3 0 313.489 2.771 20 0 DFADRP C[C@@H](Cc1ccc(F)cc1Br)N[C@@H]1CCC[NH2+]C1 ZINC000423193887 296390913 /nfs/dbraw/zinc/39/09/13/296390913.db2.gz QYXUNKSSNGJUBV-GXFFZTMASA-N 2 0 315.230 2.861 20 0 DFADRP Cc1cc2c(cc1C)[C@@H]([NH2+]CCCN1CC[NH2+]CC1)CCS2 ZINC000423186486 296390068 /nfs/dbraw/zinc/39/00/68/296390068.db2.gz OLVORQOGYZTWII-KRWDZBQOSA-N 2 0 319.518 2.725 20 0 DFADRP C[C@H](CCn1cccn1)[NH2+]CCC[N@H+](C)Cc1ccccc1 ZINC000157511264 197192815 /nfs/dbraw/zinc/19/28/15/197192815.db2.gz IPCXXAUHPOBUDJ-QGZVFWFLSA-N 2 0 300.450 2.773 20 0 DFADRP Fc1ccc([C@@H]([NH2+]CCN2CC[NH2+]CC2)C2CCCC2)cc1 ZINC000423205873 296392287 /nfs/dbraw/zinc/39/22/87/296392287.db2.gz PXDHYFIORRAAIU-SFHVURJKSA-N 2 0 305.441 2.552 20 0 DFADRP COc1cc(NC(C)=O)ccc1[C@H](C)[NH2+]C1CCC([NH3+])CC1 ZINC000423207398 296392597 /nfs/dbraw/zinc/39/25/97/296392597.db2.gz CQPLXUOPXNYTQG-XGNXJENSSA-N 2 0 305.422 2.574 20 0 DFADRP COc1cc2c(cc1OC)[C@@H]([NH2+]C1C[C@H]3CC[C@@H](C1)[NH2+]3)CC2 ZINC000423209439 296392846 /nfs/dbraw/zinc/39/28/46/296392846.db2.gz FYNBCWMWSBBBKJ-DXBFTMOHSA-N 2 0 302.418 2.564 20 0 DFADRP c1ccc([C@H]([NH2+]CCN2CC[NH2+]CC2)C2CCCCC2)cc1 ZINC000423200488 296392062 /nfs/dbraw/zinc/39/20/62/296392062.db2.gz FVMOJJPGOIWULG-IBGZPJMESA-N 2 0 301.478 2.803 20 0 DFADRP COc1ccc([C@H](C)[NH2+][C@H](C)[C@H]2CCC[NH2+]C2)cc1NC(C)=O ZINC000423220527 296394059 /nfs/dbraw/zinc/39/40/59/296394059.db2.gz VLLGUGAADUHXQK-ZENOOKHLSA-N 2 0 319.449 2.692 20 0 DFADRP C[C@H]([NH2+]C1CCN(c2ccc(F)cc2F)CC1)[C@@H]1CCC[NH2+]C1 ZINC000423222039 296394087 /nfs/dbraw/zinc/39/40/87/296394087.db2.gz ZHSVJOHPUHYIRR-UONOGXRCSA-N 2 0 323.431 2.911 20 0 DFADRP C[C@@H]([NH3+])CC[NH2+][C@@H](C)c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000423225738 296394339 /nfs/dbraw/zinc/39/43/39/296394339.db2.gz OAQNLNAQTGKUCO-KGLIPLIRSA-N 2 0 324.490 2.791 20 0 DFADRP CCN(CC)C(=O)Nc1ccc([C@H](C)[NH2+]CC[C@H](C)[NH3+])cc1 ZINC000423226121 296394471 /nfs/dbraw/zinc/39/44/71/296394471.db2.gz PMSCPBOFSGMRHL-KBPBESRZSA-N 2 0 306.454 2.948 20 0 DFADRP CC(C)[N@@H+]1CC[C@H](CNC(=O)Nc2cccc(C[NH+](C)C)c2)C1 ZINC000620763820 399586389 /nfs/dbraw/zinc/58/63/89/399586389.db2.gz OJZYCJSZQRABFJ-MRXNPFEDSA-N 2 0 318.465 2.600 20 0 DFADRP c1ccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@H]([NH2+]CC[C@H]2CC[NH2+]C2)C3)cc1 ZINC000423240286 296395968 /nfs/dbraw/zinc/39/59/68/296395968.db2.gz CAVIZLPWONNQCG-AFYVEPGGSA-N 3 0 313.489 2.771 20 0 DFADRP COc1ccc(C[C@@H](C)[NH2+]CC[C@H]2CC[NH2+]C2)c(C)c1OC ZINC000423238436 296396056 /nfs/dbraw/zinc/39/60/56/296396056.db2.gz AIBIENNHRJDTOM-UKRRQHHQSA-N 2 0 306.450 2.532 20 0 DFADRP CCOC(=O)c1oc2c(c1C)[C@H]([NH2+]CC[C@@H]1CC[NH2+]C1)CCC2 ZINC000423253175 296397004 /nfs/dbraw/zinc/39/70/04/296397004.db2.gz VMRDBKBSTMDBHH-UONOGXRCSA-N 2 0 320.433 2.731 20 0 DFADRP Cn1ccc([C@H]([NH2+]CC[C@@H]2CC[NH2+]C2)c2ccc(Cl)cc2)n1 ZINC000423254042 296397057 /nfs/dbraw/zinc/39/70/57/296397057.db2.gz WVWLLBVAYAUDTC-SUMWQHHRSA-N 2 0 318.852 2.752 20 0 DFADRP COCCOc1ccc([C@H](C)[NH2+][C@@H]2CCCC[C@@H]2C[NH3+])cc1 ZINC000423263555 296398138 /nfs/dbraw/zinc/39/81/38/296398138.db2.gz BAHCYHQDEVTVCZ-YXJHDRRASA-N 2 0 306.450 2.880 20 0 DFADRP CC(C)C[C@H](C[NH3+])N[C@@H](C)c1ccc(OCC[NH+](C)C)cc1 ZINC000423263465 296398212 /nfs/dbraw/zinc/39/82/12/296398212.db2.gz OKSFIMDZFIVOLT-DOTOQJQBSA-N 3 0 307.482 2.651 20 0 DFADRP Cn1cc([C@@H]([NH2+]CC[C@H]2CCC[NH2+]C2)c2cccc(F)c2)cn1 ZINC000423256757 296397471 /nfs/dbraw/zinc/39/74/71/296397471.db2.gz FWBWMCSQBQCAML-KDOFPFPSSA-N 2 0 316.424 2.628 20 0 DFADRP C[C@H]([NH2+][C@H]1CCC[C@H]1C[NH3+])c1ccc(NC(=O)NC2CC2)cc1 ZINC000423273961 296399459 /nfs/dbraw/zinc/39/94/59/296399459.db2.gz LGGHNNOFDIOFGK-JDFRZJQESA-N 2 0 316.449 2.749 20 0 DFADRP CC(C)CC[C@@H]1CCC[C@@H]1[NH2+]Cc1cn([C@H]2CC[NH2+]C2)nn1 ZINC000629406044 399595090 /nfs/dbraw/zinc/59/50/90/399595090.db2.gz UFWOWCJYVYGZIR-XIRDDKMYSA-N 2 0 305.470 2.507 20 0 DFADRP C[NH2+]C[C@@H](C)CNC1CC[NH+]([C@H](C)Cc2ccccc2)CC1 ZINC000423273653 296399525 /nfs/dbraw/zinc/39/95/25/296399525.db2.gz LHGRRGMCOPQSOC-IAGOWNOFSA-N 2 0 303.494 2.527 20 0 DFADRP C[NH2+]C[C@H](C)CNC1CC[NH+]([C@H](C)Cc2ccccc2)CC1 ZINC000423273651 296399542 /nfs/dbraw/zinc/39/95/42/296399542.db2.gz LHGRRGMCOPQSOC-DLBZAZTESA-N 2 0 303.494 2.527 20 0 DFADRP C[C@H]([NH2+][C@H]1CCC[C@@H]1C[NH3+])c1ccc(NC(=O)NC2CC2)cc1 ZINC000423273963 296399608 /nfs/dbraw/zinc/39/96/08/296399608.db2.gz LGGHNNOFDIOFGK-QEORTHHSSA-N 2 0 316.449 2.749 20 0 DFADRP COc1cc(NC(C)=O)ccc1[C@H](C)[NH2+][C@H]1CCCC[C@H]1C[NH3+] ZINC000423266735 296398527 /nfs/dbraw/zinc/39/85/27/296398527.db2.gz CDKJKUPKLTYHBB-JDFRZJQESA-N 2 0 319.449 2.822 20 0 DFADRP C[C@H]([NH2+][C@H]1CCC[C@@H]1C[NH3+])c1ccc(-n2cncn2)cc1Cl ZINC000423264896 296398540 /nfs/dbraw/zinc/39/85/40/296398540.db2.gz CLXWIRTZSYIHOO-OZVIIMIRSA-N 2 0 319.840 2.699 20 0 DFADRP C[C@H]([NH2+][C@@H]1CCCC[C@H]1C[NH3+])c1ccc(OCC[NH+](C)C)cc1 ZINC000423265949 296398608 /nfs/dbraw/zinc/39/86/08/296398608.db2.gz BLVSKNWFPZGMNW-VDZJLULYSA-N 3 0 319.493 2.795 20 0 DFADRP C[C@H]([NH2+][C@@H]1CCCC[C@H]1C[NH3+])c1cccc(OCC[NH+](C)C)c1 ZINC000423276827 296399938 /nfs/dbraw/zinc/39/99/38/296399938.db2.gz NIJGSDPOOWJRLK-VDZJLULYSA-N 3 0 319.493 2.795 20 0 DFADRP C[C@@H]([NH3+])[C@@H](Cc1ccccc1)NCC[NH2+]C1CCCCCC1 ZINC000423283491 296400448 /nfs/dbraw/zinc/40/04/48/296400448.db2.gz FHZBJERTYKHWIL-VQIMIIECSA-N 2 0 303.494 2.847 20 0 DFADRP C[C@H]1CC[C@@H](NCC(C)(C)C[N@H+](C)Cc2ccccc2)C[NH2+]1 ZINC000629411988 399596379 /nfs/dbraw/zinc/59/63/79/399596379.db2.gz JKSMMBIKINGWRT-FUHWJXTLSA-N 2 0 303.494 2.875 20 0 DFADRP COc1cc2c(cc1OC)[C@H]([NH2+]CC1(C)CC[NH2+]CC1)CC2 ZINC000423325210 296404374 /nfs/dbraw/zinc/40/43/74/296404374.db2.gz JEYVNKBUJXRNBL-OAHLLOKOSA-N 2 0 304.434 2.670 20 0 DFADRP c1c2c(cc3c1OCCC[C@H]3[NH2+]C[C@@H]1CC[NH2+]C1)CCCC2 ZINC000423330779 296405120 /nfs/dbraw/zinc/40/51/20/296405120.db2.gz GGZMPTHWMOHEEZ-RDTXWAMCSA-N 2 0 300.446 2.978 20 0 DFADRP CC[C@H]([NH2+]C[C@@]1(C)CCC[NH2+]C1)c1ccc2c(c1)OCCO2 ZINC000423330995 296405128 /nfs/dbraw/zinc/40/51/28/296405128.db2.gz OATCXSJLPMVKNA-YJBOKZPZSA-N 2 0 304.434 2.888 20 0 DFADRP COc1ccc([C@@H](C)[NH2+]C[C@@H]2CC[NH2+]C2)cc1Br ZINC000423330807 296405244 /nfs/dbraw/zinc/40/52/44/296405244.db2.gz GJERMGIDLJUULL-GHMZBOCLSA-N 2 0 313.239 2.718 20 0 DFADRP COc1ccc([C@H](C)[NH2+]C[C@H]2CC[NH2+]C2)cc1Br ZINC000423330821 296405315 /nfs/dbraw/zinc/40/53/15/296405315.db2.gz GJERMGIDLJUULL-QWRGUYRKSA-N 2 0 313.239 2.718 20 0 DFADRP CC[C@H]([NH2+]CC1(C)CC[NH2+]CC1)c1ccc2c(c1)OCCO2 ZINC000423338741 296406150 /nfs/dbraw/zinc/40/61/50/296406150.db2.gz UWDKXAIJPYVIAN-HNNXBMFYSA-N 2 0 304.434 2.888 20 0 DFADRP C[C@H]([NH2+][C@@H]1CO[C@H](C2CC2)C1)c1cccc(OCC[NH+](C)C)c1 ZINC000624221465 399602241 /nfs/dbraw/zinc/60/22/41/399602241.db2.gz APWSIIAWIGWJCD-FNHZYXHNSA-N 2 0 318.461 2.845 20 0 DFADRP COC(=O)CCC[C@@H]1CCC[C@@H]([NH2+]C[C@@]2(C)CCC[NH2+]C2)C1 ZINC000423347507 296406898 /nfs/dbraw/zinc/40/68/98/296406898.db2.gz RLPZTYRQRQJSOX-JZXOWHBKSA-N 2 0 310.482 2.868 20 0 DFADRP CCOc1ccccc1[C@@H](C)[NH2+]CC1(COC)CC[NH2+]CC1 ZINC000423378523 296410606 /nfs/dbraw/zinc/41/06/06/296410606.db2.gz CEYLKBGBUOJNDQ-OAHLLOKOSA-N 2 0 306.450 2.752 20 0 DFADRP CC(C)[NH+]1CCN(CCC[NH+]2C[C@H](C)C(F)(F)[C@@H](C)C2)CC1 ZINC000625653464 399605863 /nfs/dbraw/zinc/60/58/63/399605863.db2.gz KPBLGWFJEKMRES-HOTGVXAUSA-N 2 0 317.468 2.626 20 0 DFADRP COc1ccc([C@H](C)[NH2+][C@@H]2CCC[C@@H]([NH3+])C2)cc1NC(C)=O ZINC000423406902 296413544 /nfs/dbraw/zinc/41/35/44/296413544.db2.gz ZIORHZHOZNGJRW-NILFDRSVSA-N 2 0 305.422 2.574 20 0 DFADRP O[C@@H]1C[NH2+]C[C@H]1C[NH2+][C@H](CCc1ccccc1)c1ccccc1 ZINC000423400672 296412672 /nfs/dbraw/zinc/41/26/72/296412672.db2.gz FXGSJPIKYMADFY-XUVXKRRUSA-N 2 0 310.441 2.530 20 0 DFADRP COCC1(C[NH2+][C@H](C)c2ccc3c(c2)CCC3)CC[NH2+]CC1 ZINC000423400648 296412696 /nfs/dbraw/zinc/41/26/96/296412696.db2.gz FXAGJHWGODNJJD-OAHLLOKOSA-N 2 0 302.462 2.842 20 0 DFADRP COCC1(C[NH2+][C@@H](C)c2ccc3c(c2)CCC3)CC[NH2+]CC1 ZINC000423400647 296412699 /nfs/dbraw/zinc/41/26/99/296412699.db2.gz FXAGJHWGODNJJD-HNNXBMFYSA-N 2 0 302.462 2.842 20 0 DFADRP COCC1(C[NH2+][C@H](Cc2ccccc2)C(C)C)CC[NH2+]CC1 ZINC000423402317 296412881 /nfs/dbraw/zinc/41/28/81/296412881.db2.gz HBJMKZGKIPXDQC-GOSISDBHSA-N 2 0 304.478 2.860 20 0 DFADRP c1cc(C[NH2+][C@@H]2CCCC[C@H]2[C@H]2CCOC2)cc2c1C[NH2+]C2 ZINC000423405651 296412986 /nfs/dbraw/zinc/41/29/86/296412986.db2.gz YFRQNGDREHFRTL-YTQUADARSA-N 2 0 300.446 2.975 20 0 DFADRP COc1ccc(C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)c(C)c1OC ZINC000347911102 285239836 /nfs/dbraw/zinc/23/98/36/285239836.db2.gz KQFAFOHJEUMNFF-IRXDYDNUSA-N 2 0 318.461 2.928 20 0 DFADRP CC[C@H]([NH2+]C[C@H]1C[NH2+]C[C@H]1O)c1ccc(Cl)c(Cl)c1 ZINC000423409407 296413684 /nfs/dbraw/zinc/41/36/84/296413684.db2.gz PYMPAYNTMYUJDD-DDTOSNHZSA-N 2 0 303.233 2.614 20 0 DFADRP COc1ccc([C@H](N[C@@H](C)CCCC[NH3+])[C@H]2CCC[NH2+]2)cc1 ZINC000423428503 296415921 /nfs/dbraw/zinc/41/59/21/296415921.db2.gz JFKHCVFZMGTIDP-QGTPRVQTSA-N 2 0 305.466 2.595 20 0 DFADRP C[C@@H](NC(=O)C(C)(C)[C@@H]([NH3+])c1ccccc1)C(C)(C)C[NH+](C)C ZINC000423446576 296417258 /nfs/dbraw/zinc/41/72/58/296417258.db2.gz SQMPREFWZIIZNO-ZBFHGGJFSA-N 2 0 319.493 2.805 20 0 DFADRP CCO[C@@H]1C[C@H]([NH2+][C@H](C)CCCC[NH3+])[C@@H]1Oc1ccccc1 ZINC000423444069 296417382 /nfs/dbraw/zinc/41/73/82/296417382.db2.gz WHNPAWBUURYHQX-SPUZQDLCSA-N 2 0 306.450 2.719 20 0 DFADRP OCC[N@H+](CCC1CC[NH2+]CC1)[C@H]1CCCc2ccccc21 ZINC000359214948 285255933 /nfs/dbraw/zinc/25/59/33/285255933.db2.gz HWPROZNFQUOYQH-IBGZPJMESA-N 2 0 302.462 2.748 20 0 DFADRP COCCc1nc(C)c([C@@H](C)[NH2+]CCC[C@@H]2CCC[NH2+]2)s1 ZINC000423484876 296421066 /nfs/dbraw/zinc/42/10/66/296421066.db2.gz REXUMZSKOQECDI-TZMCWYRMSA-N 2 0 311.495 2.823 20 0 DFADRP C[C@@H]([NH2+]CCC[C@H]1CCC[NH2+]1)c1cccc(N2CCOCC2)c1 ZINC000423490960 296421655 /nfs/dbraw/zinc/42/16/55/296421655.db2.gz YFDFWRNSNUKYJB-AEFFLSMTSA-N 2 0 317.477 2.706 20 0 DFADRP COC[C@H]([NH2+][C@H]1CC[C@@H](C[NH3+])C1)c1cccc(Cl)c1F ZINC000423493136 296421901 /nfs/dbraw/zinc/42/19/01/296421901.db2.gz AVWPGKNAMNDFJX-SUNKGSAMSA-N 2 0 300.805 2.884 20 0 DFADRP CCOC(=O)c1oc2c(c1C)[C@H]([NH2+][C@@H]1CC[C@H](C[NH3+])C1)CCC2 ZINC000423500077 296422712 /nfs/dbraw/zinc/42/27/12/296422712.db2.gz IGDXQOKIIQHWLG-BFHYXJOUSA-N 2 0 320.433 2.859 20 0 DFADRP C[C@H]([NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1)c1ccc2c(c1)OCCCO2 ZINC000423538229 296427829 /nfs/dbraw/zinc/42/78/29/296427829.db2.gz FURBYHUESOTLTF-QSPRXWTASA-N 2 0 316.445 2.887 20 0 DFADRP COc1cccc2c1CC[C@H]([NH2+][C@@H]1CC[C@@H]3C[NH2+]C[C@H]3C1)C2 ZINC000423539844 296427869 /nfs/dbraw/zinc/42/78/69/296427869.db2.gz IYDZQYMQINGCIB-VQHPVUNQSA-N 2 0 300.446 2.530 20 0 DFADRP C[C@@H]([NH2+]C[C@H](C)CN1CC[NH+](C)CC1)c1ccc(Cl)s1 ZINC000120852370 195250968 /nfs/dbraw/zinc/25/09/68/195250968.db2.gz YLMMPXLQUGBVIE-QWHCGFSZSA-N 2 0 315.914 2.936 20 0 DFADRP COCCOc1ccc([C@@H](C)[NH2+]CCC2=CC[NH2+]CC2)cc1 ZINC000423569268 296430185 /nfs/dbraw/zinc/43/01/85/296430185.db2.gz VZVWVSXXZQTVQB-OAHLLOKOSA-N 2 0 304.434 2.672 20 0 DFADRP C[C@H]([NH2+][C@@H]1CCO[C@H](C)C1)c1ccc(OCC[NH+](C)C)cc1 ZINC000271603262 209051610 /nfs/dbraw/zinc/05/16/10/209051610.db2.gz ZUWBXNKARRQMAU-HLLBOEOZSA-N 2 0 306.450 2.845 20 0 DFADRP COc1ccc(C)cc1[C@@H](C)[NH2+]C[C@H](C)CN1CC[NH+](C)CC1 ZINC000120908248 195261399 /nfs/dbraw/zinc/26/13/99/195261399.db2.gz OAUVMUNFHYEURD-DLBZAZTESA-N 2 0 319.493 2.538 20 0 DFADRP CC[NH+](CC)Cc1ccc(C(=O)NCCC2CC[NH+](C)CC2)o1 ZINC000624267048 399622111 /nfs/dbraw/zinc/62/21/11/399622111.db2.gz OWFQKIOVXVLFSB-UHFFFAOYSA-N 2 0 321.465 2.583 20 0 DFADRP CC(C)[C@@H](C[N@H+](C)CCCN1CC[NH+](C)CC1)c1ccccc1 ZINC000289491181 221015401 /nfs/dbraw/zinc/01/54/01/221015401.db2.gz RPMMSCFKNOZLAZ-HXUWFJFHSA-N 2 0 317.521 2.996 20 0 DFADRP CC[C@H]1[NH2+]CC[C@H]1C(=O)NCc1ccccc1C[N@H+](C)C(C)C ZINC000289474652 221001617 /nfs/dbraw/zinc/00/16/17/221001617.db2.gz BEQRPMLHLARHRN-QZTJIDSGSA-N 2 0 317.477 2.531 20 0 DFADRP COCCOCc1ccc(C[NH2+][C@H]2CCC[C@H]([NH+](C)C)C2)cc1 ZINC000289528919 221043374 /nfs/dbraw/zinc/04/33/74/221043374.db2.gz BSPPRZQWJPBEBF-OALUTQOASA-N 2 0 320.477 2.812 20 0 DFADRP COCCOCc1ccc(C[NH2+][C@H]2CCC[C@@H]([NH+](C)C)C2)cc1 ZINC000289528926 221043387 /nfs/dbraw/zinc/04/33/87/221043387.db2.gz BSPPRZQWJPBEBF-RBUKOAKNSA-N 2 0 320.477 2.812 20 0 DFADRP COCCOCc1ccc(C[NH2+]CCC2CC[NH+](C)CC2)cc1 ZINC000289667200 221142061 /nfs/dbraw/zinc/14/20/61/221142061.db2.gz ISEDOOYJRWJHCT-UHFFFAOYSA-N 2 0 320.477 2.671 20 0 DFADRP Clc1ccc2c(c1)C[C@@H]1[C@H]([NH2+][C@@H]3CC[C@@H]4C[NH2+]C[C@H]4C3)[C@H]21 ZINC000629512664 399629248 /nfs/dbraw/zinc/62/92/48/399629248.db2.gz BNSYPZHFHFFMGD-PWXGUEPYSA-N 2 0 302.849 2.956 20 0 DFADRP CC1(C)[C@@H](c2ccccc2)[C@@H]1[NH2+][C@@H]1CCOC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000629512474 399629596 /nfs/dbraw/zinc/62/95/96/399629596.db2.gz AMJRPVGJSLCKIU-QQXKLLMISA-N 2 0 314.473 2.925 20 0 DFADRP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1[N@@H+]1CC[C@@H](Oc2cccc(Cl)c2)C1 ZINC000629512924 399630324 /nfs/dbraw/zinc/63/03/24/399630324.db2.gz CZOGNTZJCADSGI-IEAZIUSSSA-N 2 0 324.852 2.545 20 0 DFADRP C[C@@H]([NH2+]C1(CNC(=O)[C@H](C)[NH+](C)C)CCCC1)c1ccccc1 ZINC000078741999 542483848 /nfs/dbraw/zinc/48/38/48/542483848.db2.gz FXHBDZCJBXJDOG-CVEARBPZSA-N 2 0 317.477 2.716 20 0 DFADRP C[C@H](CCCO)C[NH2+][C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000294879023 224281443 /nfs/dbraw/zinc/28/14/43/224281443.db2.gz VKFSTEIEUZWLFY-GSEOLPGOSA-N 2 0 316.489 2.895 20 0 DFADRP FC1(F)Oc2cccc(CC[NH2+][C@@H]3CC[C@H]4C[NH2+]C[C@@H]4C3)c2O1 ZINC000629516227 399632469 /nfs/dbraw/zinc/63/24/69/399632469.db2.gz ZBBJFYXSUGEHQG-MELADBBJSA-N 2 0 324.371 2.528 20 0 DFADRP C[NH2+]CCOCC[NH2+][C@@H](c1ccccc1OC)C1CCCC1 ZINC000629529860 399637552 /nfs/dbraw/zinc/63/75/52/399637552.db2.gz ORXVMIFLJWJMHW-GOSISDBHSA-N 2 0 306.450 2.752 20 0 DFADRP C[NH2+]CCOCC[NH2+][C@@H](c1ccccc1)c1ccc(OC)cc1 ZINC000629529968 399637647 /nfs/dbraw/zinc/63/76/47/399637647.db2.gz RRUIAXGZZRNRSK-IBGZPJMESA-N 2 0 314.429 2.610 20 0 DFADRP C[NH2+]CCOCC[NH2+][C@H](c1cccc(C(F)(F)F)c1)C1CC1 ZINC000629530205 399637308 /nfs/dbraw/zinc/63/73/08/399637308.db2.gz ZIDYRSQDJYEGRS-HNNXBMFYSA-N 2 0 316.367 2.982 20 0 DFADRP C[C@@H]1CCC[C@H]([NH+]2CCC([NH2+]CCN(C)CC(F)F)CC2)C1 ZINC000624324065 399638282 /nfs/dbraw/zinc/63/82/82/399638282.db2.gz FQECNZJQCFLSCQ-ZBFHGGJFSA-N 2 0 317.468 2.816 20 0 DFADRP [NH3+]CCCOCC[NH2+][C@@H]1CCCOc2cc3c(cc21)CCCC3 ZINC000629534456 399638689 /nfs/dbraw/zinc/63/86/89/399638689.db2.gz AIWVTHQTKPVDFB-GOSISDBHSA-N 2 0 318.461 2.734 20 0 DFADRP C[C@@H]([NH2+]CCOCCC[NH3+])[C@H](C)c1nc2ccccc2s1 ZINC000629534919 399638860 /nfs/dbraw/zinc/63/88/60/399638860.db2.gz BYNLEJWUBSSPNO-QWHCGFSZSA-N 2 0 307.463 2.743 20 0 DFADRP Cc1cc([C@H](C)[NH2+]CCOCCC[NH3+])sc1Br ZINC000629537414 399640437 /nfs/dbraw/zinc/64/04/37/399640437.db2.gz JAHQPCNOYIDILA-JTQLQIEISA-N 2 0 321.284 2.835 20 0 DFADRP [NH3+]CCCOCC[NH2+][C@H]1CCSc2ccc(Cl)cc21 ZINC000629537624 399640525 /nfs/dbraw/zinc/64/05/25/399640525.db2.gz KBESIKIBLPVGIB-ZDUSSCGKSA-N 2 0 300.855 2.832 20 0 DFADRP C(c1nc(C2CCC2)no1)C1CC[NH+](C[C@H]2CCC[NH2+]C2)CC1 ZINC000629580969 399653708 /nfs/dbraw/zinc/65/37/08/399653708.db2.gz HRPMZVHYEQQBDG-HNNXBMFYSA-N 2 0 318.465 2.591 20 0 DFADRP CC1(C)[C@@H](c2ccc(F)cc2)CC[N@@H+]1C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000629576363 399654098 /nfs/dbraw/zinc/65/40/98/399654098.db2.gz UIMOQFAMMZKVNX-DLBZAZTESA-N 2 0 318.436 2.915 20 0 DFADRP Cc1ccc(SC[C@@H](C)[NH2+]C[C@@H](O)C[NH+]2CCCC2)cc1 ZINC000629573853 399654114 /nfs/dbraw/zinc/65/41/14/399654114.db2.gz CIFJBWMEDHEPPK-HZPDHXFCSA-N 2 0 308.491 2.522 20 0 DFADRP C[C@@H]1CCCc2ccccc2[C@@H]1[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000629576268 399654138 /nfs/dbraw/zinc/65/41/38/399654138.db2.gz WYAQJZUVFZDUGP-SZVBFZGTSA-N 2 0 302.462 2.746 20 0 DFADRP O[C@@H]1CC[N@H+](CC[C@H]2CCC[NH2+]C2)[C@@H]1c1ccc(Cl)cc1 ZINC000629581986 399654581 /nfs/dbraw/zinc/65/45/81/399654581.db2.gz LJGGGAGSZZZHSQ-KBRIMQKVSA-N 2 0 308.853 2.837 20 0 DFADRP Oc1ccc(Cl)c(C[NH+]2CCC(CO[C@H]3CC[NH2+]C3)CC2)c1 ZINC000629591913 399657625 /nfs/dbraw/zinc/65/76/25/399657625.db2.gz SDKYSOAHIZALIQ-INIZCTEOSA-N 2 0 324.852 2.636 20 0 DFADRP CC(C)(C)[N@@H+]1CC[C@H](NC(=O)[C@H]2CCCC[NH+]2C2CCCC2)C1 ZINC000617344513 399669616 /nfs/dbraw/zinc/66/96/16/399669616.db2.gz KOFWDKPSGHSBSK-DOTOQJQBSA-N 2 0 321.509 2.773 20 0 DFADRP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+]CC(C)(C)C(=O)N1CCCC1 ZINC000629549597 399643699 /nfs/dbraw/zinc/64/36/99/399643699.db2.gz SKYKEGZJGUVVLV-HZPDHXFCSA-N 2 0 309.498 2.535 20 0 DFADRP CC(C)CC[C@H]([NH2+]Cc1cn([C@H]2CC[NH2+]C2)nn1)C(C)(C)C ZINC000629551831 399645014 /nfs/dbraw/zinc/64/50/14/399645014.db2.gz XGXORBRCELIFSK-HOTGVXAUSA-N 2 0 307.486 2.753 20 0 DFADRP CC(C)(C)[C@@H]1CCCC[C@H]1[NH2+]Cc1cn([C@H]2CC[NH2+]C2)nn1 ZINC000629553785 399647146 /nfs/dbraw/zinc/64/71/46/399647146.db2.gz XSLBHVPFHCNLPA-ARFHVFGLSA-N 2 0 305.470 2.507 20 0 DFADRP CC(C)(C[NH2+]C[C@@H](O)C[NH+]1CCCC1)c1ccccc1Cl ZINC000629559879 399648974 /nfs/dbraw/zinc/64/89/74/399648974.db2.gz OSJGCOHOPDARSP-CQSZACIVSA-N 2 0 310.869 2.664 20 0 DFADRP [NH3+]Cc1cccc2c1N(Cc1ccc3c(c1)C[NH2+]CC3)CCC2 ZINC000629559502 399649776 /nfs/dbraw/zinc/64/97/76/399649776.db2.gz FIZUYFMZKLILMV-UHFFFAOYSA-N 2 0 307.441 2.744 20 0 DFADRP Cc1ccc(CN2CC[C@H](C(F)(F)F)[C@H](C[NH3+])C2)c(C)n1 ZINC000629564568 399650136 /nfs/dbraw/zinc/65/01/36/399650136.db2.gz SSDBOGFQZWGGCU-KGLIPLIRSA-N 2 0 301.356 2.658 20 0 DFADRP C[NH2+]CCOCC[N@H+](C)CCOc1c(Cl)cccc1Cl ZINC000629565313 399652201 /nfs/dbraw/zinc/65/22/01/399652201.db2.gz FNINIYHEDORSEY-UHFFFAOYSA-N 2 0 321.248 2.540 20 0 DFADRP C[NH2+]CCOCCN(C)Cc1ncc(-c2cccc(Cl)c2)o1 ZINC000629571766 399652508 /nfs/dbraw/zinc/65/25/08/399652508.db2.gz QFYVHFWDLFQLGM-UHFFFAOYSA-N 2 0 323.824 2.663 20 0 DFADRP CC[C@@H]1[C@@H](C(=O)N[C@@H](C)[C@@H](c2ccccc2)[NH+](C)C)CC[N@@H+]1C ZINC000632517546 399682410 /nfs/dbraw/zinc/68/24/10/399682410.db2.gz MMPDROXXLJFHOJ-OWLYRPNTSA-N 2 0 317.477 2.524 20 0 DFADRP Cc1noc([C@H](C)N2CC[C@H](CNc3cccc(C)[nH+]3)C2)n1 ZINC000624484668 399686560 /nfs/dbraw/zinc/68/65/60/399686560.db2.gz RXZYPBQMWRBHNU-GXTWGEPZSA-N 2 0 301.394 2.576 20 0 DFADRP C[NH2+]CCOCC[N@H+](C)Cc1ccc(C(F)(F)F)c(C)c1 ZINC000629653783 399676479 /nfs/dbraw/zinc/67/64/79/399676479.db2.gz NQRUYEQDTWJZLK-UHFFFAOYSA-N 2 0 304.356 2.682 20 0 DFADRP C[NH2+]CCOCC[N@H+](C)C[C@@H](C)c1ccc(C(F)(F)F)cc1 ZINC000629654231 399676568 /nfs/dbraw/zinc/67/65/68/399676568.db2.gz OEIMTMUAJQALHR-CYBMUJFWSA-N 2 0 318.383 2.977 20 0 DFADRP C[C@H]1CC(F)(F)CCN1C[C@@H](O)C[N@H+](C)Cc1ccccc1 ZINC000625979726 399707787 /nfs/dbraw/zinc/70/77/87/399707787.db2.gz SQMPBXNRFTWNSR-HOCLYGCPSA-N 2 0 312.404 2.599 20 0 DFADRP C[NH+]1CCC(N[C@H]2C[N@H+](Cc3ccccc3)C(C)(C)C2)CC1 ZINC000090168242 542534729 /nfs/dbraw/zinc/53/47/29/542534729.db2.gz ATWULKWATPTUKL-GOSISDBHSA-N 2 0 301.478 2.723 20 0 DFADRP C[NH+](C)CCOc1ccc(C[N@@H+]2CCOC3(CCCC3)C2)cc1 ZINC000093588856 542553229 /nfs/dbraw/zinc/55/32/29/542553229.db2.gz MJXRAEKWRSVYDP-UHFFFAOYSA-N 2 0 318.461 2.772 20 0 DFADRP C[C@H]1C[NH+](Cc2ccc(OCC[NH+](C)C)cc2)C[C@H](C)S1 ZINC000092540361 542548060 /nfs/dbraw/zinc/54/80/60/542548060.db2.gz BZJNHOUJARCTCW-GJZGRUSLSA-N 2 0 308.491 2.953 20 0 DFADRP C[NH2+][C@@H](CC(C)(C)C)C(=O)N(CC(C)C)C1CC[NH+](C)CC1 ZINC000423738063 296442747 /nfs/dbraw/zinc/44/27/47/296442747.db2.gz BLEXZUKWWKBXBP-INIZCTEOSA-N 2 0 311.514 2.589 20 0 DFADRP COC[C@H](C)[NH2+][C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000368235191 285354300 /nfs/dbraw/zinc/35/43/00/285354300.db2.gz NSRQHBXVQZPWFA-GDAAHCPNSA-N 2 0 302.462 2.912 20 0 DFADRP O[C@H](C[NH2+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21)C(F)F ZINC000358573120 285355811 /nfs/dbraw/zinc/35/58/11/285355811.db2.gz QSQPFBMBAVODFK-YYIAUSFCSA-N 2 0 324.415 2.503 20 0 DFADRP C[C@H](C[NH2+]C1CCN(c2ccccn2)CC1)C[NH+]1CCCCC1 ZINC000121590467 195312074 /nfs/dbraw/zinc/31/20/74/195312074.db2.gz HNTMUDUWPCFVHU-QGZVFWFLSA-N 2 0 316.493 2.762 20 0 DFADRP Cc1cc(C[NH+](C)C)cc(NC(=O)C[C@@H]2CCCC[C@@H]2[NH3+])c1 ZINC000423778315 296446829 /nfs/dbraw/zinc/44/68/29/296446829.db2.gz CRNPVEBUSMHQTQ-RDJZCZTQSA-N 2 0 303.450 2.903 20 0 DFADRP C[NH+](C)CCN1CCC([NH2+][C@@H]2CCc3c2cc(F)cc3F)CC1 ZINC000121031406 542581978 /nfs/dbraw/zinc/58/19/78/542581978.db2.gz TWNZUBIHPLEVRT-GOSISDBHSA-N 2 0 323.431 2.568 20 0 DFADRP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@H]2CCc3ccc(F)cc32)CC1 ZINC000121265820 542583233 /nfs/dbraw/zinc/58/32/33/542583233.db2.gz PRBXPCCCTQNXEI-BEFAXECRSA-N 2 0 319.468 2.676 20 0 DFADRP CCC[NH+]1CCC(NCCC[N@@H+]2CCc3ccccc3C2)CC1 ZINC000122752613 542590484 /nfs/dbraw/zinc/59/04/84/542590484.db2.gz GBIRFTJVVIYIQE-UHFFFAOYSA-N 2 0 315.505 2.899 20 0 DFADRP COc1cccc(O[C@@H](C)C[NH2+][C@H](C)C2CC[NH+](C)CC2)c1 ZINC000125214680 542600721 /nfs/dbraw/zinc/60/07/21/542600721.db2.gz WDEBFSVJHUHILS-LSDHHAIUSA-N 2 0 306.450 2.782 20 0 DFADRP CC[NH+](CC)[C@@H](CNC(=O)C[N@H+](C)C1CCC1)c1ccsc1 ZINC000629948662 399764018 /nfs/dbraw/zinc/76/40/18/399764018.db2.gz LNKIWOWGYZDPCJ-INIZCTEOSA-N 2 0 323.506 2.732 20 0 DFADRP COc1ccccc1O[C@H](C)C[NH2+][C@H](C)C1CC[NH+](C)CC1 ZINC000129669973 542625865 /nfs/dbraw/zinc/62/58/65/542625865.db2.gz PITKHIGOXUJWFX-HUUCEWRRSA-N 2 0 306.450 2.782 20 0 DFADRP COc1cc2c(cc1C[NH2+][C@@H](C)C1CC[NH+](C)CC1)O[C@H](C)C2 ZINC000132112295 542641035 /nfs/dbraw/zinc/64/10/35/542641035.db2.gz IQJYEQKVYZAWRZ-KGLIPLIRSA-N 2 0 318.461 2.839 20 0 DFADRP C[C@H]([NH2+]Cc1ccc(N2CCCC2)nc1)C1CC[NH+](C)CC1 ZINC000151056545 542664414 /nfs/dbraw/zinc/66/44/14/542664414.db2.gz PSKHEXGIBHOLLP-HNNXBMFYSA-N 2 0 302.466 2.502 20 0 DFADRP CCC[C@H](C)C(=O)NCC1([NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000424023296 296476461 /nfs/dbraw/zinc/47/64/61/296476461.db2.gz AXHRRJSZHRLBQD-INIZCTEOSA-N 2 0 317.477 2.532 20 0 DFADRP CCC[NH+]1CCC([NH2+]C[C@@H]2CCN(c3ccccc3)C2)CC1 ZINC000152491391 542677255 /nfs/dbraw/zinc/67/72/55/542677255.db2.gz QIKAWYLMCPRIQR-KRWDZBQOSA-N 2 0 301.478 2.977 20 0 DFADRP C[C@@H]([NH2+][C@@H](C)c1ccc(-n2cncn2)cc1)C1CC[NH+](C)CC1 ZINC000158898812 542714860 /nfs/dbraw/zinc/71/48/60/542714860.db2.gz JPWBIKXXYNIQDD-LSDHHAIUSA-N 2 0 313.449 2.648 20 0 DFADRP CC[N@H+](Cc1ccc(C(=O)NCC[C@@H](C)[NH+](C)C)cc1)C(C)C ZINC000617752257 399790043 /nfs/dbraw/zinc/79/00/43/399790043.db2.gz KVOAOYKHFHCNML-MRXNPFEDSA-N 2 0 319.493 2.987 20 0 DFADRP C[C@H](CNC(=O)[C@@H]([NH3+])c1cccc(Cl)c1)C[NH+]1CCCCC1 ZINC000165664439 542749785 /nfs/dbraw/zinc/74/97/85/542749785.db2.gz LPJBPIWVDSQAFS-CJNGLKHVSA-N 2 0 323.868 2.578 20 0 DFADRP c1ccc2c(c1)CC[NH+](CCCN[C@@H]1CC[N@@H+]3CCC[C@@H]3C1)C2 ZINC000166067134 542750021 /nfs/dbraw/zinc/75/00/21/542750021.db2.gz TUWZMEWIARHIFS-WOJBJXKFSA-N 3 0 313.489 2.651 20 0 DFADRP CC(C)C[C@@H]([NH3+])C(=O)NCc1cccc(C[N@H+](C)C(C)C)c1 ZINC000165996185 542750248 /nfs/dbraw/zinc/75/02/48/542750248.db2.gz NIHPARXKHBWQLZ-QGZVFWFLSA-N 2 0 305.466 2.516 20 0 DFADRP Fc1ccc(N2CC[C@H]([NH2+][C@@H]3CC[N@@H+]4CCC[C@@H]4C3)C2)c(F)c1 ZINC000166534390 542750952 /nfs/dbraw/zinc/75/09/52/542750952.db2.gz HFIQLQXWMVDLDZ-OWCLPIDISA-N 2 0 321.415 2.760 20 0 DFADRP COc1cccc(O[C@H](C)C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000166720470 542751244 /nfs/dbraw/zinc/75/12/44/542751244.db2.gz GFCQQTNPFOFRMU-BZUAXINKSA-N 2 0 304.434 2.679 20 0 DFADRP CCC[C@H]([NH3+])C(=O)NCC1([NH2+][C@H](C)c2ccccc2)CCCC1 ZINC000168662215 542754121 /nfs/dbraw/zinc/75/41/21/542754121.db2.gz ILQWOMWFCIDBRR-WBVHZDCISA-N 2 0 317.477 2.894 20 0 DFADRP CC[NH+](CC)C[C@H](C)NC(=O)CC[C@H]([NH3+])CC1CCCCC1 ZINC000424134399 296486749 /nfs/dbraw/zinc/48/67/49/296486749.db2.gz NOBJRXDRLKKPLY-RDJZCZTQSA-N 2 0 311.514 2.911 20 0 DFADRP [NH3+][C@H](CCC(=O)N1CCC[C@]2(CC[NH2+]C2)C1)CC1CCCCC1 ZINC000424176312 296490687 /nfs/dbraw/zinc/49/06/87/296490687.db2.gz OUHNXMZXGOIAMC-IEBWSBKVSA-N 2 0 321.509 2.666 20 0 DFADRP Cc1n[nH]cc1[C@H](C)[NH2+]Cc1ccc(OCC[NH+](C)C)cc1 ZINC000180151941 542783287 /nfs/dbraw/zinc/78/32/87/542783287.db2.gz OLBCCYUKZRDZHV-ZDUSSCGKSA-N 2 0 302.422 2.509 20 0 DFADRP [NH3+][C@@H](CCC(=O)N1CCC[C@]2(CC[NH2+]C2)C1)CC1CCCCC1 ZINC000424176317 296490924 /nfs/dbraw/zinc/49/09/24/296490924.db2.gz OUHNXMZXGOIAMC-PKOBYXMFSA-N 2 0 321.509 2.666 20 0 DFADRP [NH3+][C@H](CCC(=O)NCCC[C@H]1CCC[NH2+]1)CC1CCCCC1 ZINC000424189382 296491695 /nfs/dbraw/zinc/49/16/95/296491695.db2.gz KNHQQLWWJKQRNF-IAGOWNOFSA-N 2 0 309.498 2.713 20 0 DFADRP CCC[N@H+](C)C[C@@H]1CCN(CC[NH+](C)Cc2ccc(F)cc2)C1 ZINC000181730816 542791135 /nfs/dbraw/zinc/79/11/35/542791135.db2.gz KDCOPXVRMGHOJQ-SFHVURJKSA-N 2 0 321.484 2.921 20 0 DFADRP C[C@@H]1CCN(C(=O)CC[C@@H]([NH3+])CC2CCCCC2)C[C@@H]1C[NH3+] ZINC000424209225 296493440 /nfs/dbraw/zinc/49/34/40/296493440.db2.gz ZKNFTZBXUFITMI-HYVNUMGLSA-N 2 0 309.498 2.508 20 0 DFADRP C[NH+]1CCN(CCC[NH2+][C@@H](C2CCC2)C2CCCCC2)CC1 ZINC000424255858 296495968 /nfs/dbraw/zinc/49/59/68/296495968.db2.gz IGJKYBBCDQCWFM-LJQANCHMSA-N 2 0 307.526 2.963 20 0 DFADRP [NH3+]C1(CC(=O)NCC2([NH+]3CCCCC3)CCCCC2)CCC1 ZINC000237993655 542908430 /nfs/dbraw/zinc/90/84/30/542908430.db2.gz UFZAJYPAIIXECD-UHFFFAOYSA-N 2 0 307.482 2.563 20 0 DFADRP C[C@@H]1CCC[N@H+](Cc2ccc(NC(=O)CC(C)(C)[NH3+])cc2)C1 ZINC000237553351 542903913 /nfs/dbraw/zinc/90/39/13/542903913.db2.gz LOLUAXAJSGKBRN-CQSZACIVSA-N 2 0 303.450 2.984 20 0 DFADRP [NH3+][C@H](CCC(=O)N1CCC[C@@H]([NH+]2CCCC2)C1)c1ccccc1 ZINC000237903829 542907158 /nfs/dbraw/zinc/90/71/58/542907158.db2.gz UXJCINQRQDRIKJ-QZTJIDSGSA-N 2 0 315.461 2.553 20 0 DFADRP C[NH+](C)CCCOc1ccc(C[NH2+]CCC2CCOCC2)cc1 ZINC000603949263 399819666 /nfs/dbraw/zinc/81/96/66/399819666.db2.gz KWZLKVGFPBGBIH-UHFFFAOYSA-N 2 0 320.477 2.923 20 0 DFADRP CCO[C@@H]1C[C@@H]([NH2+]C[C@@H](O)C[NH+]2CCCCC2)C12CCCCC2 ZINC000245927642 542918513 /nfs/dbraw/zinc/91/85/13/542918513.db2.gz RSXKEUNJXKDLNZ-KZNAEPCWSA-N 2 0 324.509 2.551 20 0 DFADRP Cc1ccc([C@H](CN[C@@H]2CC[N@@H+]3CCC[C@H]3C2)[NH+]2CCCC2)o1 ZINC000247135982 542928333 /nfs/dbraw/zinc/92/83/33/542928333.db2.gz XBCXBJWYHXWZIL-SQNIBIBYSA-N 2 0 317.477 2.941 20 0 DFADRP CC[N@H+](CCC1CCN(C(=O)C2([NH+](C)C)CC2)CC1)CC(C)C ZINC000613245150 399830247 /nfs/dbraw/zinc/83/02/47/399830247.db2.gz FBGLRGFCOCKDQL-UHFFFAOYSA-N 2 0 323.525 2.687 20 0 DFADRP C[C@@H]([NH2+][C@@H]1C[C@H]2CC[C@@H]1O2)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000274937626 542974772 /nfs/dbraw/zinc/97/47/72/542974772.db2.gz SFHCTXWUQAZYNR-SJQORLFUSA-N 2 0 300.446 2.807 20 0 DFADRP Cc1cc(C[NH3+])cc(NC(=O)NC2CC[NH+](C(C)(C)C)CC2)c1 ZINC000424447624 296510309 /nfs/dbraw/zinc/51/03/09/296510309.db2.gz VZGBYEUJHKMSOI-UHFFFAOYSA-N 2 0 318.465 2.838 20 0 DFADRP CCN(C(=O)[C@@H]1CC[NH+](C2CCCCC2)C1)[C@@H]1CC[N@H+](CC)C1 ZINC000617928288 399838064 /nfs/dbraw/zinc/83/80/64/399838064.db2.gz MVZIYMYNEHGLQH-SJLPKXTDSA-N 2 0 321.509 2.584 20 0 DFADRP c1ccc(C[N@@H+]2C[C@@H]3CC[C@H]([NH2+][C@H]4CCC[NH2+]CC4)[C@@H]3C2)cc1 ZINC000309822538 543066152 /nfs/dbraw/zinc/06/61/52/543066152.db2.gz ZZNRCESRVFVUHT-HAGHYFMRSA-N 3 0 313.489 2.629 20 0 DFADRP Cc1ccc([C@@H](C)[NH2+]CC(C)(C)N2CC[NH+](C)CC2)cc1C ZINC000314079923 543068171 /nfs/dbraw/zinc/06/81/71/543068171.db2.gz VJRDPWAPJPTXNT-QGZVFWFLSA-N 2 0 303.494 2.980 20 0 DFADRP Cc1ccc([C@H](C)[NH2+]CC(C)(C)N2CC[NH+](C)CC2)cc1C ZINC000314079918 543068399 /nfs/dbraw/zinc/06/83/99/543068399.db2.gz VJRDPWAPJPTXNT-KRWDZBQOSA-N 2 0 303.494 2.980 20 0 DFADRP C[C@@H](CC[NH2+]CC(C)(C)N1CC[NH+](C)CC1)c1ccccc1 ZINC000314258226 543068539 /nfs/dbraw/zinc/06/85/39/543068539.db2.gz YJKCECBDLHKXMA-KRWDZBQOSA-N 2 0 303.494 2.796 20 0 DFADRP COc1ccc(CC[NH2+][C@H](C)C2CC[NH+](C)CC2)cc1OC ZINC000314233504 543068580 /nfs/dbraw/zinc/06/85/80/543068580.db2.gz OCTISBMTMBUQNL-CQSZACIVSA-N 2 0 306.450 2.566 20 0 DFADRP C[NH+]1CCN(C(C)(C)C[NH2+][C@@H](c2ccc(F)cc2)C2CC2)CC1 ZINC000319829850 543080444 /nfs/dbraw/zinc/08/04/44/543080444.db2.gz KWCJSWFRDXIWPZ-GOSISDBHSA-N 2 0 319.468 2.892 20 0 DFADRP CCOc1ccc(OCC[N@@H+]2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)cc1 ZINC000321352632 543085537 /nfs/dbraw/zinc/08/55/37/543085537.db2.gz YHCLDQOGHLHERD-VQIMIIECSA-N 2 0 318.461 2.928 20 0 DFADRP CCOC(=O)CCC[NH+]1CCC(C[NH+]2CCCCCC2)CC1 ZINC000604538772 399853659 /nfs/dbraw/zinc/85/36/59/399853659.db2.gz AMTHSBCDEVFGDF-UHFFFAOYSA-N 2 0 310.482 2.918 20 0 DFADRP C[C@@H]1CCCC[N@@H+]1CCC(=O)N1CCC(C[NH+]2CCCC2)CC1 ZINC000339272326 543142788 /nfs/dbraw/zinc/14/27/88/543142788.db2.gz FRBKUMPXOUNRMH-QGZVFWFLSA-N 2 0 321.509 2.585 20 0 DFADRP C[C@H]1CCCC[N@@H+]1CCC(=O)N1CCC[NH+](C2CCCC2)CC1 ZINC000339280674 543143398 /nfs/dbraw/zinc/14/33/98/543143398.db2.gz GYOZVJXJINZGLY-KRWDZBQOSA-N 2 0 321.509 2.728 20 0 DFADRP C[C@H](COc1ccc(F)cc1F)[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000339076105 543139335 /nfs/dbraw/zinc/13/93/35/543139335.db2.gz SDVYKOSOGNAZHB-YUELXQCFSA-N 2 0 310.388 2.949 20 0 DFADRP c1ccc(C2(C[NH2+][C@@H]3CC[N@@H+]4CCC[C@H]4C3)CCOCC2)cc1 ZINC000339074991 543139476 /nfs/dbraw/zinc/13/94/76/543139476.db2.gz OLPATJPZOGZTAC-MOPGFXCFSA-N 2 0 314.473 2.951 20 0 DFADRP Fc1cccc(F)c1N1CC[C@H]([NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)C1 ZINC000339067815 543139589 /nfs/dbraw/zinc/13/95/89/543139589.db2.gz JCWNPZDTDJIYRH-SOUVJXGZSA-N 2 0 321.415 2.760 20 0 DFADRP Fc1ccc(N2CC[C@H](C[NH2+][C@H]3CC[N@@H+]4CCC[C@@H]4C3)C2)cc1 ZINC000339073800 543139866 /nfs/dbraw/zinc/13/98/66/543139866.db2.gz FHLCNCKSJPJQCC-HHXXYDBFSA-N 2 0 317.452 2.868 20 0 DFADRP C[NH+]1CCN(Cc2ccc(C[NH2+][C@H]3CC[C@@H]3C3CC3)cc2)CC1 ZINC000348081054 543182957 /nfs/dbraw/zinc/18/29/57/543182957.db2.gz HXWBSKQTULKZPS-UXHICEINSA-N 2 0 313.489 2.712 20 0 DFADRP CO[C@]1(C)CCC[NH+]([C@@H](C)CC[N@H+]2CCC[C@@](C)(OC)C2)C1 ZINC000348247793 543184006 /nfs/dbraw/zinc/18/40/06/543184006.db2.gz WOXPYJCOCNZRFP-RCCFBDPRSA-N 2 0 312.498 2.767 20 0 DFADRP OC[C@@H]1CCC[N@@H+]1Cc1ccccc1C[NH2+][C@H]1CC[C@@H]1C1CC1 ZINC000348386956 543185486 /nfs/dbraw/zinc/18/54/86/543185486.db2.gz XSDSOVRKKQPZPV-ZCNNSNEGSA-N 2 0 314.473 2.922 20 0 DFADRP Cn1cc([C@@H]([NH2+]C2CCC([NH+](C)C)CC2)c2ccccc2)cn1 ZINC000353667305 543237411 /nfs/dbraw/zinc/23/74/11/543237411.db2.gz CFWZEGBURIBITN-ACBHZAAOSA-N 2 0 312.461 2.972 20 0 DFADRP CC(C)[C@@H]1CC[C@@H]1[NH2+]Cc1ccccc1C[N@@H+]1CC[C@@H](O)C1 ZINC000353676225 543237597 /nfs/dbraw/zinc/23/75/97/543237597.db2.gz WCGTVOYODJAQSU-QYZOEREBSA-N 2 0 302.462 2.777 20 0 DFADRP CCC[NH+]1CCC(N(C)C(=O)C2(C[NH+](C)C)CCCCC2)CC1 ZINC000358617546 543268539 /nfs/dbraw/zinc/26/85/39/543268539.db2.gz QROTYZZDQIUSPP-UHFFFAOYSA-N 2 0 323.525 2.831 20 0 DFADRP CC[NH+](CC)C[C@H](C)N[C@@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C ZINC000361154840 543280201 /nfs/dbraw/zinc/28/02/01/543280201.db2.gz QWDVAUAIQPOBPC-JENIJYKNSA-N 2 0 318.509 2.612 20 0 DFADRP CC[NH+](CC)C[C@H](C)N[C@@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C ZINC000361154842 543280272 /nfs/dbraw/zinc/28/02/72/543280272.db2.gz QWDVAUAIQPOBPC-ZIFCJYIRSA-N 2 0 318.509 2.612 20 0 DFADRP C[C@H](CCNC(=O)CCC(C)(C)[NH3+])[N@H+](C)Cc1ccccc1 ZINC000379673656 543297505 /nfs/dbraw/zinc/29/75/05/543297505.db2.gz RHYQHNPSZYVHOC-OAHLLOKOSA-N 2 0 305.466 2.531 20 0 DFADRP CC[N@H+](C)C[C@@H]1CC[NH+](CCCOc2ccc(OC)cc2)C1 ZINC000072858111 145190103 /nfs/dbraw/zinc/19/01/03/145190103.db2.gz SVNOPSDNRJZVRK-INIZCTEOSA-N 2 0 306.450 2.738 20 0 DFADRP [NH3+]C1(C(=O)NCc2cccc(C[NH+]3CCCC3)c2)CCCCC1 ZINC000164736435 145226889 /nfs/dbraw/zinc/22/68/89/145226889.db2.gz OGHJXXRXYXUQCT-UHFFFAOYSA-N 2 0 315.461 2.560 20 0 DFADRP [NH3+]C1(C(=O)N2CCC[N@H+](CC3CCCCC3)CC2)CCCCC1 ZINC000165653391 145231075 /nfs/dbraw/zinc/23/10/75/145231075.db2.gz LUUHERHYGAJAMR-UHFFFAOYSA-N 2 0 321.509 2.763 20 0 DFADRP Cc1noc(C)c1C[NH+]1CCC(C[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000171306313 145262819 /nfs/dbraw/zinc/26/28/19/145262819.db2.gz DOPPBNDDUUHZTO-KBPBESRZSA-N 2 0 321.465 2.613 20 0 DFADRP Cc1cc(C[N@@H+](C)CC2CC[NH+](C[C@@H](C)O)CC2)c(C)s1 ZINC000171589240 145271976 /nfs/dbraw/zinc/27/19/76/145271976.db2.gz AXYASNYQGMAXNI-CYBMUJFWSA-N 2 0 310.507 2.890 20 0 DFADRP c1cc(C[N@H+]2CCC[C@H](CN3CCOCC3)C2)cc2c1CCC2 ZINC000172290906 145298478 /nfs/dbraw/zinc/29/84/78/145298478.db2.gz ZREANNHOEATCKX-GOSISDBHSA-N 2 0 314.473 2.720 20 0 DFADRP Cc1cccc(NC(=O)C[C@H](C)[NH2+][C@@H]2CCC[C@@H]([NH3+])C2)c1C ZINC000414930185 543327950 /nfs/dbraw/zinc/32/79/50/543327950.db2.gz SPAHTBMKCOAOAT-NUEKZKHPSA-N 2 0 303.450 2.880 20 0 DFADRP CC[C@H](Cc1ccc(OC)c(OC)c1)[NH2+][C@@H]1CCC[C@@H]([NH3+])C1 ZINC000414928533 543328073 /nfs/dbraw/zinc/32/80/73/543328073.db2.gz QDPWYQYDKRJBGP-BZUAXINKSA-N 2 0 306.450 2.884 20 0 DFADRP CCCC[C@@H](CC)CC[N@@H+]1CCC[C@@H](n2cc(C[NH3+])nn2)C1 ZINC000415103160 543328914 /nfs/dbraw/zinc/32/89/14/543328914.db2.gz CSLJEWPPRJBKDQ-NVXWUHKLSA-N 2 0 307.486 2.980 20 0 DFADRP CC[C@H](O)C[NH+]1CCN(c2ccnc3ccc(Cl)cc32)CC1 ZINC000172761508 145315520 /nfs/dbraw/zinc/31/55/20/145315520.db2.gz MXVWZZJYFSSYFV-AWEZNQCLSA-N 2 0 319.836 2.781 20 0 DFADRP CC(C)C[C@H](C)N(C)C(=O)CN1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000173604991 145348889 /nfs/dbraw/zinc/34/88/89/145348889.db2.gz IJIMRCGFIYQRKS-ZWKOTPCHSA-N 2 0 323.525 2.687 20 0 DFADRP C[C@@H](C(=O)N[C@@H]1CC[N@H+](CC2CCCC2)C1)[NH+]1[C@@H](C)CC[C@@H]1C ZINC000174721232 145388771 /nfs/dbraw/zinc/38/87/71/145388771.db2.gz OAWMSBUWOXVCNZ-NBOOPKSLSA-N 2 0 321.509 2.628 20 0 DFADRP CCOc1cc2[nH+]ccc(NC3CC[NH2+]CC3)c2cc1OCC ZINC000630549598 399901811 /nfs/dbraw/zinc/90/18/11/399901811.db2.gz OBEPHZSMQMMMTA-UHFFFAOYSA-N 2 0 315.417 2.618 20 0 DFADRP C[NH+]1CCN(c2cc[nH+]c(NCc3cc4cnccc4o3)c2)CC1 ZINC000630961360 399954360 /nfs/dbraw/zinc/95/43/60/399954360.db2.gz PLSJUYAPQRJSSR-UHFFFAOYSA-N 2 0 323.400 2.587 20 0 DFADRP C[NH+]1CCN(c2cc[nH+]c(NCc3cc(F)cc(F)c3)c2)CC1 ZINC000630962350 399954431 /nfs/dbraw/zinc/95/44/31/399954431.db2.gz YRVVWYBJDZPLNG-UHFFFAOYSA-N 2 0 318.371 2.724 20 0 DFADRP C[C@@H]1C[C@H]([NH2+]Cc2ccc(=O)[nH]c2)CC[N@@H+]1Cc1ccccc1 ZINC000631085271 399977462 /nfs/dbraw/zinc/97/74/62/399977462.db2.gz JMSOAOTUDCZKNA-CRAIPNDOSA-N 2 0 311.429 2.930 20 0 DFADRP C[C@H]1C[C@@H]([NH2+]Cc2ccc(=O)[nH]c2)CC[N@@H+]1Cc1ccccc1 ZINC000631085274 399977612 /nfs/dbraw/zinc/97/76/12/399977612.db2.gz JMSOAOTUDCZKNA-YJBOKZPZSA-N 2 0 311.429 2.930 20 0 DFADRP CCC1([NH+](C)C)CCN(C(=O)[C@H](C)[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC000634120876 399985206 /nfs/dbraw/zinc/98/52/06/399985206.db2.gz PQMOAEXNCHMJPD-OAGGEKHMSA-N 2 0 309.498 2.581 20 0 DFADRP CCC1([NH+](C)C)CCN(C(=O)CC[N@H+](C)C2CCCCC2)CC1 ZINC000634123468 399985604 /nfs/dbraw/zinc/98/56/04/399985604.db2.gz NOSCMXWSSUXEKD-UHFFFAOYSA-N 2 0 323.525 2.974 20 0 DFADRP CC[C@@H]1CCCC[C@H]1C[NH+]1CCN(CC[NH+]2CCCC2)CC1 ZINC000628121069 399987674 /nfs/dbraw/zinc/98/76/74/399987674.db2.gz PXAPDKPDMVMGCE-MOPGFXCFSA-N 2 0 307.526 2.916 20 0 DFADRP Cc1ccc([C@H](C)C[NH+]2CCC([N@@H+](C)C[C@@H](C)O)CC2)cc1 ZINC000628165770 399994595 /nfs/dbraw/zinc/99/45/95/399994595.db2.gz LSENEHQLMFOKTO-IAGOWNOFSA-N 2 0 304.478 2.876 20 0 DFADRP c1cc(C[NH2+]CC2CC[NH+](CC3CC3)CC2)n(CC2CCC2)n1 ZINC000631178086 399997061 /nfs/dbraw/zinc/99/70/61/399997061.db2.gz HXZJBDIDDBCWHJ-UHFFFAOYSA-N 2 0 316.493 2.895 20 0 DFADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C[NH2+]Cc1cnn2c1CCC2 ZINC000631195283 400001001 /nfs/dbraw/zinc/00/10/01/400001001.db2.gz VGQKDFWGFARKEI-VQIMIIECSA-N 2 0 324.472 2.687 20 0 DFADRP Cc1ccc([C@@H](C)C[NH2+]C[C@@H](C)CN2CC[NH+](C)CC2)cc1 ZINC000628213391 400002401 /nfs/dbraw/zinc/00/24/01/400002401.db2.gz JDPJLIRMEHKGDN-MSOLQXFVSA-N 2 0 303.494 2.572 20 0 DFADRP CC[NH+]1CCN(CCC[NH2+]C[C@H](C)c2ccc(C)cc2)CC1 ZINC000628232791 400005471 /nfs/dbraw/zinc/00/54/71/400005471.db2.gz NTDRRUUTGIDRKJ-SFHVURJKSA-N 2 0 303.494 2.716 20 0 DFADRP COc1c[nH+]ccc1N1CC[NH+](Cc2ccc3[nH]ccc3c2)CC1 ZINC000628256582 400009552 /nfs/dbraw/zinc/00/95/52/400009552.db2.gz CWBKPVZRIHYUTO-UHFFFAOYSA-N 2 0 322.412 2.894 20 0 DFADRP Cc1ccc(C[N@@H+]2CC[C@H](N[C@@H]3CC[NH+]4CCC[C@@H]4C3)C2)cc1 ZINC000631258871 400014212 /nfs/dbraw/zinc/01/42/12/400014212.db2.gz DIHJJAYGNWGICZ-HSALFYBXSA-N 2 0 313.489 2.786 20 0 DFADRP CC[C@@H](C)[N@H+](CCO)Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000628301568 400016911 /nfs/dbraw/zinc/01/69/11/400016911.db2.gz XWANUNFKPDRQKT-QGZVFWFLSA-N 2 0 320.477 2.754 20 0 DFADRP CCC[C@@H]([NH2+]C[C@H](C)N1CC[NH+](CC)CC1)c1cc(C)ccn1 ZINC000631569186 400052597 /nfs/dbraw/zinc/05/25/97/400052597.db2.gz KAVRDDHIUYTKNL-ZWKOTPCHSA-N 2 0 318.509 2.847 20 0 DFADRP COc1cccc2c1OCCC[C@@H]2[NH2+]CC1=CC[N@H+](C)CC1 ZINC000631605775 400057643 /nfs/dbraw/zinc/05/76/43/400057643.db2.gz GYLKLKDRUXXPGY-INIZCTEOSA-N 2 0 302.418 2.760 20 0 DFADRP C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1C[NH2+]C1CCC(O)CC1 ZINC000631664944 400064188 /nfs/dbraw/zinc/06/41/88/400064188.db2.gz SPFVCVGTKCFGBF-XMZVIZOASA-N 2 0 302.462 2.648 20 0 DFADRP CC[NH+]1CCC(NC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)CC1 ZINC000631667166 400064279 /nfs/dbraw/zinc/06/42/79/400064279.db2.gz LQBNNVGIFBKRPB-PKOBYXMFSA-N 2 0 315.505 2.828 20 0 DFADRP CC[C@@H]1[C@@H](C(=O)NCC2CC[NH+](CCC(C)C)CC2)CC[N@@H+]1C ZINC000631668879 400064384 /nfs/dbraw/zinc/06/43/84/400064384.db2.gz FKXKQCAUPNVIMM-ZWKOTPCHSA-N 2 0 323.525 2.591 20 0 DFADRP CC(C)[C@H]1CN(C2CC[NH+](Cc3ccccc3)CC2)CC[N@@H+]1C ZINC000631792920 400075624 /nfs/dbraw/zinc/07/56/24/400075624.db2.gz PLADGKIYJUTEJV-HXUWFJFHSA-N 2 0 315.505 2.923 20 0 DFADRP Cc1cc(C)c(C[NH+]2CCC([C@H]3C[C@H]([NH3+])CCO3)CC2)c(C)n1 ZINC000631828349 400078115 /nfs/dbraw/zinc/07/81/15/400078115.db2.gz MKUWGEFUPBMBDV-IEBWSBKVSA-N 2 0 317.477 2.725 20 0 DFADRP [NH3+][C@@H]1CCCO[C@H]1C1CC[NH+](C[C@H]2CCC(F)(F)C2)CC1 ZINC000631828444 400078203 /nfs/dbraw/zinc/07/82/03/400078203.db2.gz PEBHSONBYMSTCC-CFVMTHIKSA-N 2 0 302.409 2.640 20 0 DFADRP CCCC[C@H]([NH3+])C(=O)NC1CC[NH+](Cc2ccccc2C)CC1 ZINC000236786608 146027690 /nfs/dbraw/zinc/02/76/90/146027690.db2.gz VDRRTYMKUBSXND-SFHVURJKSA-N 2 0 317.477 2.593 20 0 DFADRP CC[C@@H]1CCC[C@@H]([NH2+]C[C@@H](O)CN2CCc3ccccc3C2)C1 ZINC000236964058 146033780 /nfs/dbraw/zinc/03/37/80/146033780.db2.gz LPVABZNQXYMQEE-NSISKUIASA-N 2 0 316.489 2.964 20 0 DFADRP C[C@H](C(=O)NCc1ccc(C[NH+](C)C)cc1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000245204111 146063991 /nfs/dbraw/zinc/06/39/91/146063991.db2.gz YUEDSUYLLCLMNJ-OWCLPIDISA-N 2 0 317.477 2.626 20 0 DFADRP CC[N@@H+]1CC[C@@H]([NH+](C)CCC(=O)Nc2cccc(F)c2)[C@@H](C)C1 ZINC000245417234 146067975 /nfs/dbraw/zinc/06/79/75/146067975.db2.gz FVTSRNHLFANXEL-WMLDXEAASA-N 2 0 321.440 2.816 20 0 DFADRP CC[N@@H+]1CC[C@H]([NH+](C)CCC(=O)Nc2ccccc2)[C@@H](C)C1 ZINC000245431064 146071192 /nfs/dbraw/zinc/07/11/92/146071192.db2.gz NWKXCALNYZPIGD-RDJZCZTQSA-N 2 0 303.450 2.677 20 0 DFADRP Cc1nccn1CCCC[NH2+][C@@H]1[C@@H]2CCO[C@H]2C12CCCC2 ZINC000245549350 146082439 /nfs/dbraw/zinc/08/24/39/146082439.db2.gz GLPLAFYKPZIJHY-GVDBMIGSSA-N 2 0 303.450 2.909 20 0 DFADRP CCN(C[C@H]1CC[N@H+](CC[C@H]2CCC[NH+]2C)C1)CC(F)(F)F ZINC000245686983 146092717 /nfs/dbraw/zinc/09/27/17/146092717.db2.gz PTNXZBYJELGRMM-HUUCEWRRSA-N 2 0 321.431 2.677 20 0 DFADRP C[C@@H]1OCC[C@H]1[NH2+]Cc1ccccc1C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000245907128 146108415 /nfs/dbraw/zinc/10/84/15/146108415.db2.gz CMQIARNFGCQDIQ-OAFZBRQQSA-N 2 0 318.461 2.563 20 0 DFADRP COCC[C@@H](C)[NH2+]Cc1ccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000246198759 146128877 /nfs/dbraw/zinc/12/88/77/146128877.db2.gz IURAHLYZMCSEFC-ZACQAIPSSA-N 2 0 320.477 2.810 20 0 DFADRP COc1cccc(N2CC[C@H](C[NH2+][C@@H]3CC[N@H+](C)[C@@H](C)C3)C2)c1 ZINC000247075506 146160686 /nfs/dbraw/zinc/16/06/86/146160686.db2.gz QLHMAVREELRQGM-GVDBMIGSSA-N 2 0 317.477 2.594 20 0 DFADRP CCOC(=O)CC[NH2+][C@H]1[C@H](C)C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000249372378 146195257 /nfs/dbraw/zinc/19/52/57/146195257.db2.gz PEEQYMVNRAAWJC-MNZLEMJZSA-N 2 0 318.461 2.686 20 0 DFADRP CC1CC[NH+](CCN2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)CC1 ZINC000252692340 146221929 /nfs/dbraw/zinc/22/19/29/146221929.db2.gz BFLLMVVMAHLTGP-PKOBYXMFSA-N 2 0 305.510 2.667 20 0 DFADRP C[C@]1(C[NH3+])CCN([C@H]2CCCN(c3ccccc3Cl)C2=O)C1 ZINC000261608970 146245451 /nfs/dbraw/zinc/24/54/51/146245451.db2.gz BQFVKVLXMJMSJG-DOTOQJQBSA-N 2 0 321.852 2.506 20 0 DFADRP O=C(CC[C@@H]1CCC[NH2+]1)NCC1([NH+]2CCCCC2)CCCCC1 ZINC000261610561 146246820 /nfs/dbraw/zinc/24/68/20/146246820.db2.gz AZGUHNRTYANVDU-KRWDZBQOSA-N 2 0 321.509 2.824 20 0 DFADRP c1cnn(-c2ccccc2C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)c1 ZINC000261621393 146248630 /nfs/dbraw/zinc/24/86/30/146248630.db2.gz AYDCMJASPHYTEK-FGTMMUONSA-N 2 0 310.445 2.883 20 0 DFADRP c1ccc(-c2ccc(C[N@@H+]3CC[C@@H](N4CC[NH2+]CC4)C3)cc2)cc1 ZINC000261631138 146249690 /nfs/dbraw/zinc/24/96/90/146249690.db2.gz HHXKLIDXEKVANB-OAQYLSRUSA-N 2 0 321.468 2.833 20 0 DFADRP Cc1ccc([C@H]([NH3+])C(=O)NC[C@]2([NH+](C)C)CCC[C@H](C)C2)cc1 ZINC000261649099 146253995 /nfs/dbraw/zinc/25/39/95/146253995.db2.gz FOOARTVUKPFHSC-IEZWGBDMSA-N 2 0 317.477 2.622 20 0 DFADRP c1ccc(C[N@@H+](C[C@H]2CCSC2)[C@@H]2CCC[NH2+]CC2)nc1 ZINC000261650380 146254194 /nfs/dbraw/zinc/25/41/94/146254194.db2.gz BAPWCTISTPUYDP-NVXWUHKLSA-N 2 0 305.491 2.779 20 0 DFADRP CC[NH+](CC)CC1CCN(C(=O)C[C@@H](C)[C@H]2CCC[NH2+]C2)CC1 ZINC000261674180 146257595 /nfs/dbraw/zinc/25/75/95/146257595.db2.gz HLPOUIXPRHQSNB-AEFFLSMTSA-N 2 0 323.525 2.593 20 0 DFADRP C[C@@H]([NH3+])CC(=O)NCC1([NH2+][C@@H](C)c2ccccc2)CCCC1 ZINC000261713546 146263067 /nfs/dbraw/zinc/26/30/67/146263067.db2.gz DPYDISLEBVBRFS-CABCVRRESA-N 2 0 303.450 2.504 20 0 DFADRP C[C@]1(C[NH3+])CC[N@H+](Cc2ccc(OCC(F)(F)F)cc2)C1 ZINC000261707146 146264272 /nfs/dbraw/zinc/26/42/72/146264272.db2.gz MCIWCHHQZAASJM-CQSZACIVSA-N 2 0 302.340 2.798 20 0 DFADRP C[C@H]([NH3+])CC(=O)NCc1ccc(C[NH+]2C[C@@H](C)C[C@H](C)C2)cc1 ZINC000261724747 146267025 /nfs/dbraw/zinc/26/70/25/146267025.db2.gz FMQQBJRPKJRFMJ-JYJNAYRXSA-N 2 0 317.477 2.518 20 0 DFADRP Cc1cccc(N2CC[NH+](CCC3CC[NH2+]CC3)CC2)c1C ZINC000261741709 146269952 /nfs/dbraw/zinc/26/99/52/146269952.db2.gz SEXAAPFWXZVEJH-UHFFFAOYSA-N 2 0 301.478 2.815 20 0 DFADRP COC(=O)c1cccc(C[N@@H+]2C[C@@H](C[NH3+])[C@H](c3ccccc3)C2)c1 ZINC000261782214 146275705 /nfs/dbraw/zinc/27/57/05/146275705.db2.gz FNVAOPLGCSACII-MOPGFXCFSA-N 2 0 324.424 2.648 20 0 DFADRP [NH3+]CC[C@H]1CCC[N@H+](Cc2cnn(Cc3ccc(F)cc3)c2)C1 ZINC000261794458 146277920 /nfs/dbraw/zinc/27/79/20/146277920.db2.gz GLUYTXVGEOFDBF-OAHLLOKOSA-N 2 0 316.424 2.631 20 0 DFADRP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](Cc3c[nH]nc3-c3ccsc3)C[C@@H]21 ZINC000261797751 146278645 /nfs/dbraw/zinc/27/86/45/146278645.db2.gz GRPWJEHTYYKEAC-BYCMXARLSA-N 2 0 302.447 2.697 20 0 DFADRP Cc1ccc(C[N@@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)c(-c2cnn(C)c2)c1 ZINC000261817038 146281482 /nfs/dbraw/zinc/28/14/82/146281482.db2.gz IBDITNVLLNRCGJ-KFKAGJAMSA-N 2 0 310.445 2.565 20 0 DFADRP CC[NH+](CC)CCN(CC(C)C)C(=O)C[C@@H]([NH3+])c1ccccc1 ZINC000261820229 146283212 /nfs/dbraw/zinc/28/32/12/146283212.db2.gz WMKZSHKMACZLQE-GOSISDBHSA-N 2 0 319.493 2.903 20 0 DFADRP CC(C)c1cccc(NC(=O)CN2CCC[C@@H]([C@H](C)[NH3+])C2)c1 ZINC000261821863 146283431 /nfs/dbraw/zinc/28/34/31/146283431.db2.gz ASRIMTYLNZGTCO-GOEBONIOSA-N 2 0 303.450 2.808 20 0 DFADRP COc1c(C)cnc(C[NH+]2CCC([C@H]3CCC[NH2+]3)CC2)c1C ZINC000261829607 146284290 /nfs/dbraw/zinc/28/42/90/146284290.db2.gz BJOVYRSKCSJZGO-MRXNPFEDSA-N 2 0 303.450 2.671 20 0 DFADRP O=C(CC[C@H]1CC[NH2+]C1)Nc1ccc(CC[NH+]2CCCC2)cc1 ZINC000261858312 146290497 /nfs/dbraw/zinc/29/04/97/146290497.db2.gz PKKWJFFPQCSQQN-KRWDZBQOSA-N 2 0 315.461 2.653 20 0 DFADRP CCC(CC)(C[NH3+])C(=O)N[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000261907575 146298892 /nfs/dbraw/zinc/29/88/92/146298892.db2.gz HEWGKWQTURGZSW-DOTOQJQBSA-N 2 0 317.477 2.703 20 0 DFADRP C[C@@]1(CN2CCc3c(Br)cccc3C2)CC[NH2+]C1 ZINC000261907049 146299281 /nfs/dbraw/zinc/29/92/81/146299281.db2.gz XFQUUQIVIFAXRM-OAHLLOKOSA-N 2 0 309.251 2.807 20 0 DFADRP COc1cc(OC)cc(C2(F)CCN(CC(C)(C)[NH3+])CC2)c1 ZINC000261906282 146299390 /nfs/dbraw/zinc/29/93/90/146299390.db2.gz ZDTORYDEVLKKNJ-UHFFFAOYSA-N 2 0 310.413 2.702 20 0 DFADRP COc1cc([C@H](C)[NH2+]C2CCC([NH3+])CC2)cc(OC)c1OC ZINC000261936101 146305595 /nfs/dbraw/zinc/30/55/95/146305595.db2.gz KIJPGPNEILXHMT-XGNXJENSSA-N 2 0 308.422 2.633 20 0 DFADRP Cc1ccc(C[NH+]2CCC([C@@H](C)[NH3+])CC2)c(-c2ccnn2C)c1 ZINC000261939524 146306134 /nfs/dbraw/zinc/30/61/34/146306134.db2.gz MMORTEROBHWHOB-OAHLLOKOSA-N 2 0 312.461 2.955 20 0 DFADRP [NH3+]CC1(CC(=O)N2CCC([NH+]3CCCCC3)CC2)CCCCC1 ZINC000261938563 146306213 /nfs/dbraw/zinc/30/62/13/146306213.db2.gz UHNQPBIFRYMYOV-UHFFFAOYSA-N 2 0 321.509 2.763 20 0 DFADRP CCOc1ccc(C(C)=O)cc1CN1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000261952412 146308318 /nfs/dbraw/zinc/30/83/18/146308318.db2.gz WPCFHURKDIEXPB-CGTJXYLNSA-N 2 0 316.445 2.847 20 0 DFADRP C[C@H](C[NH2+][C@@H]1CCC[C@@H]1[C@H]1COCCN1)c1ccc(F)cc1 ZINC000261952235 146308562 /nfs/dbraw/zinc/30/85/62/146308562.db2.gz OMGRSSCKCSJROX-BVPBIZIASA-N 2 0 306.425 2.676 20 0 DFADRP C[NH2+]CCC1CC[NH+]([C@H](C)C(=O)Nc2cc(C)ccc2C)CC1 ZINC000261998755 146319187 /nfs/dbraw/zinc/31/91/87/146319187.db2.gz ORAMVMFAJHNQKM-MRXNPFEDSA-N 2 0 317.477 2.952 20 0 DFADRP Cc1ccc(Cl)cc1NC(=O)CN(C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000262008690 146321281 /nfs/dbraw/zinc/32/12/81/146321281.db2.gz WARBTHKGEQIBHL-YIONKMFJSA-N 2 0 321.852 2.802 20 0 DFADRP C[NH2+]CCC1CC[NH+]([C@H](C)C(=O)Nc2ccccc2C)CC1 ZINC000262007641 146321368 /nfs/dbraw/zinc/32/13/68/146321368.db2.gz SATZNZFWZYKIFN-OAHLLOKOSA-N 2 0 303.450 2.644 20 0 DFADRP c1cnc(Oc2ccc(C[N@@H+]3CCC4(C3)CC[NH2+]CC4)cc2)cn1 ZINC000262056457 146328746 /nfs/dbraw/zinc/32/87/46/146328746.db2.gz QSCIZIHSDNLKSH-UHFFFAOYSA-N 2 0 324.428 2.844 20 0 DFADRP C[N@H+](CCOc1ccc(F)cc1Cl)[C@@H]1CCC[NH2+]CC1 ZINC000262094896 146332811 /nfs/dbraw/zinc/33/28/11/146332811.db2.gz HPEWENNVGYZCIW-CYBMUJFWSA-N 2 0 300.805 2.932 20 0 DFADRP C[C@@H]1C[N@H+](Cc2ccccc2)CCCN1C[C@@]1(C)CC[NH2+]C1 ZINC000262101987 146333014 /nfs/dbraw/zinc/33/30/14/146333014.db2.gz VROZUGDFFWCRGV-MJGOQNOKSA-N 2 0 301.478 2.582 20 0 DFADRP CCOc1ccc(OCC[N@@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)cc1 ZINC000262111145 146334194 /nfs/dbraw/zinc/33/41/94/146334194.db2.gz JUOYKGRNPJGUPN-JCGIZDLHSA-N 2 0 304.434 2.523 20 0 DFADRP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+]Cc1ccc2c(c1)OCCO2 ZINC000262121539 146335428 /nfs/dbraw/zinc/33/54/28/146335428.db2.gz KTJZBXDXYHZRLV-GDBMZVCRSA-N 2 0 304.434 2.858 20 0 DFADRP C[NH2+]CCC1CC[NH+](CCOc2ccccc2C(C)=O)CC1 ZINC000262338600 146352797 /nfs/dbraw/zinc/35/27/97/146352797.db2.gz UDMIXPGAYGXLFZ-UHFFFAOYSA-N 2 0 304.434 2.590 20 0 DFADRP C[C@@H](CNC(=O)C1C[C@H]2CCC[C@@H](C1)C2[NH3+])[N@@H+]1CCCC[C@H]1C ZINC000262437185 146360473 /nfs/dbraw/zinc/36/04/73/146360473.db2.gz ULSUREPAFGNAGS-WJPQVJKASA-N 2 0 321.509 2.519 20 0 DFADRP CC[NH+](CC)Cc1cccc(NC(=O)[C@@H]2C[C@H](C)CC[NH2+]2)c1 ZINC000262518108 146367051 /nfs/dbraw/zinc/36/70/51/146367051.db2.gz NTLCVYFHLJJCRI-PBHICJAKSA-N 2 0 303.450 2.855 20 0 DFADRP C[C@H](NC(=O)[C@H](C)[NH+]1CCC(C[NH+](C)C)CC1)c1ccccc1 ZINC000354406111 147025076 /nfs/dbraw/zinc/02/50/76/147025076.db2.gz KZZSVTLSOUNISX-HOTGVXAUSA-N 2 0 317.477 2.526 20 0 DFADRP CCC[C@@H]([NH2+]C(C)C)C(=O)NCC[N@H+](C)Cc1ccc(F)cc1 ZINC000354511026 147062293 /nfs/dbraw/zinc/06/22/93/147062293.db2.gz LUWKOQXYTDHHAC-QGZVFWFLSA-N 2 0 323.456 2.540 20 0 DFADRP CC[NH+]1CCN(c2ccc(C[NH2+][C@H]3CC[C@@H]3C(C)C)cn2)CC1 ZINC000514099357 543422117 /nfs/dbraw/zinc/42/21/17/543422117.db2.gz NNUYYWLSOKZBRR-MSOLQXFVSA-N 2 0 316.493 2.748 20 0 DFADRP C[NH+](C)CCOC1CC[NH+](Cc2scnc2C2CC2)CC1 ZINC000494979150 543416239 /nfs/dbraw/zinc/41/62/39/543416239.db2.gz LJPKIRIXWPJNMV-UHFFFAOYSA-N 2 0 309.479 2.563 20 0 DFADRP CC(C)[C@@H](C(=O)NC[C@H]1CCC[N@@H+](C(C)C)C1)[NH+]1CCCCC1 ZINC000354809735 147159455 /nfs/dbraw/zinc/15/94/55/147159455.db2.gz IVSZEMXJSAKLOV-MSOLQXFVSA-N 2 0 323.525 2.734 20 0 DFADRP CC[NH+](CC)[C@H](C)CN[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000355330366 147267383 /nfs/dbraw/zinc/26/73/83/147267383.db2.gz CDWZDOMAAYIIQY-SCTDSRPQSA-N 2 0 303.494 2.827 20 0 DFADRP CC[N@@H+]1CC[C@H](N(C)Cc2cc3c(cc2OC)OCO3)[C@H](C)C1 ZINC000355359640 147283039 /nfs/dbraw/zinc/28/30/39/147283039.db2.gz SDHSMLZFPLIANQ-HIFRSBDPSA-N 2 0 320.433 2.586 20 0 DFADRP CC(C)[NH+](CCN(C)C(=O)C1CC[NH+](C(C)C)CC1)C(C)C ZINC000357570436 148040974 /nfs/dbraw/zinc/04/09/74/148040974.db2.gz CXVQXYBOVIUHNF-UHFFFAOYSA-N 2 0 311.514 2.684 20 0 DFADRP c1ccc([C@@H]2C[C@H]2C[NH+]2CCC(C[NH+]3CCOCC3)CC2)cc1 ZINC000350149125 286011228 /nfs/dbraw/zinc/01/12/28/286011228.db2.gz UQBVLPCZHJHTJM-PMACEKPBSA-N 2 0 314.473 2.834 20 0 DFADRP c1ccc([C@H]([NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)[C@H]2CCOC2)cc1 ZINC000357840374 148144478 /nfs/dbraw/zinc/14/44/78/148144478.db2.gz KBZGZJKJFFUGDB-RDGPPVDQSA-N 2 0 300.446 2.981 20 0 DFADRP C[NH+](C)Cc1cc(-c2ccc(N3CC[NH2+]CC3)cc2)ccc1F ZINC000629738221 543487280 /nfs/dbraw/zinc/48/72/80/543487280.db2.gz JHVGRRSJGZHFKU-UHFFFAOYSA-N 2 0 313.420 2.964 20 0 DFADRP CC(C)(C[NH2+]Cc1cc(C2CC[NH2+]CC2)no1)C1(O)CCCC1 ZINC000425896582 296603173 /nfs/dbraw/zinc/60/31/73/296603173.db2.gz PROOOVVAKKRJLR-UHFFFAOYSA-N 2 0 321.465 2.563 20 0 DFADRP CCCCNC(=O)c1ccc(C[NH2+][C@@H]2CC[N@H+](C)C[C@@H]2C)cc1 ZINC000358000069 148206048 /nfs/dbraw/zinc/20/60/48/148206048.db2.gz BISRTLHJTKARRB-MAUKXSAKSA-N 2 0 317.477 2.646 20 0 DFADRP C[NH+](C)CC1CC[NH+](C[C@H]2CCN(c3ccccc3)C2)CC1 ZINC000637907642 543494652 /nfs/dbraw/zinc/49/46/52/543494652.db2.gz PPWMZVRLVWBHFU-GOSISDBHSA-N 2 0 301.478 2.787 20 0 DFADRP CC(C)[N@H+](C)Cc1cccc(C[NH2+][C@@H]2CC[NH+](C)C[C@H]2C)c1 ZINC000358067085 148231266 /nfs/dbraw/zinc/23/12/66/148231266.db2.gz WGZIWECNGXFCAR-VQIMIIECSA-N 3 0 303.494 2.957 20 0 DFADRP C[NH+](C)CC[C@H](NCc1cc(C2CC[NH2+]CC2)no1)C(C)(C)C ZINC000425899900 296603870 /nfs/dbraw/zinc/60/38/70/296603870.db2.gz MMCGEZIXKNWLMM-KRWDZBQOSA-N 2 0 322.497 2.598 20 0 DFADRP C[C@H](NC[C@@]1(O)CC[N@H+](C)C1)c1cc(F)c(Cl)cc1Cl ZINC000358265310 148310599 /nfs/dbraw/zinc/31/05/99/148310599.db2.gz ZNNFWIAYOVJXLC-XPTSAGLGSA-N 2 0 321.223 2.850 20 0 DFADRP C[C@H]([NH2+]CC1(CCO)CCC1)c1cccc(OCC[NH+](C)C)c1 ZINC000358317074 148326650 /nfs/dbraw/zinc/32/66/50/148326650.db2.gz KASKEKZCDAFOFJ-INIZCTEOSA-N 2 0 320.477 2.830 20 0 DFADRP C[C@@H]([NH2+]CC1(CCO)CCC1)c1ccc(OCC[NH+](C)C)cc1 ZINC000358323488 148329499 /nfs/dbraw/zinc/32/94/99/148329499.db2.gz VGOYHBHWYYATTR-MRXNPFEDSA-N 2 0 320.477 2.830 20 0 DFADRP Cc1cc(F)c(C[NH2+][C@H]2CCN(C3CC[NH+](C)CC3)C2)c(F)c1 ZINC000643760380 543505378 /nfs/dbraw/zinc/50/53/78/543505378.db2.gz OCVIOWQAHCJDQF-AWEZNQCLSA-N 2 0 323.431 2.531 20 0 DFADRP CC(C)c1cccc(NC(=O)C[N@@H+]2CCC3(C2)CC[NH2+]CC3)c1 ZINC000358504511 148380015 /nfs/dbraw/zinc/38/00/15/148380015.db2.gz GZTYKHHGKVAMEO-UHFFFAOYSA-N 2 0 315.461 2.824 20 0 DFADRP Cc1ccc(F)cc1NC(=O)[C@H](C)[N@@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000358504485 148380586 /nfs/dbraw/zinc/38/05/86/148380586.db2.gz GUKYASLAEALMIJ-AWEZNQCLSA-N 2 0 319.424 2.537 20 0 DFADRP c1ccc(C[N@H+]2C[C@@H]3CCC[C@H]([NH2+]CCN4CCC4)[C@H]3C2)cc1 ZINC000358572578 148389401 /nfs/dbraw/zinc/38/94/01/148389401.db2.gz QPHSBMPEPBQUTH-UFYCRDLUSA-N 2 0 313.489 2.582 20 0 DFADRP CO[C@H]1CCC[NH+](CCCC[N@H+]2CCC[C@H](OC)CC2)CC1 ZINC000374677055 286041783 /nfs/dbraw/zinc/04/17/83/286041783.db2.gz IMEOGZDRIYXUNE-ROUUACIJSA-N 2 0 312.498 2.768 20 0 DFADRP CCOc1ccc(C[NH2+]CCC[N@@H+]2CCCO[C@H](C)C2)c(C)c1 ZINC000657449253 543517646 /nfs/dbraw/zinc/51/76/46/543517646.db2.gz SAKSFFDNSBQCQG-QGZVFWFLSA-N 2 0 320.477 2.984 20 0 DFADRP Cn1nccc1C[N@@H+]1CCCC[C@H]1[C@H](C[NH3+])Cc1ccccc1 ZINC000350562253 286060111 /nfs/dbraw/zinc/06/01/11/286060111.db2.gz ZOKMYZHXVKEDJD-HKUYNNGSSA-N 2 0 312.461 2.592 20 0 DFADRP CCN1CC[C@@H]([NH+]2CCC(CC[N@@H+]3CCCC[C@@H]3C)CC2)C1=O ZINC000660006768 543524211 /nfs/dbraw/zinc/52/42/11/543524211.db2.gz UHQIBKXAWHBGRW-FUHWJXTLSA-N 2 0 321.509 2.584 20 0 DFADRP CCN1CC[C@@H]([NH+]2CCC(CC[N@@H+]3CCCC[C@H]3C)CC2)C1=O ZINC000660006769 543524226 /nfs/dbraw/zinc/52/42/26/543524226.db2.gz UHQIBKXAWHBGRW-SJLPKXTDSA-N 2 0 321.509 2.584 20 0 DFADRP COC[C@H](C[NH+]1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1)OC ZINC000660007080 543524015 /nfs/dbraw/zinc/52/40/15/543524015.db2.gz YOEVXAHEBHEWEL-WMZOPIPTSA-N 2 0 312.498 2.624 20 0 DFADRP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]C[C@H]1CCN(c2ccccc2F)C1 ZINC000360995258 149002857 /nfs/dbraw/zinc/00/28/57/149002857.db2.gz ICBPTUFAYNCUAN-BFYDXBDKSA-N 2 0 305.441 2.582 20 0 DFADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]C[C@@](C)(OC)C2CC2)[C@H](C)C1 ZINC000361010505 149007203 /nfs/dbraw/zinc/00/72/03/149007203.db2.gz PMEHJBANKOIQCW-BPQIPLTHSA-N 2 0 312.498 2.528 20 0 DFADRP C[C@H]([NH2+][C@@H]1CCN(C2CC2)C1)c1ccc(OCC[NH+](C)C)cc1 ZINC000361067712 149022458 /nfs/dbraw/zinc/02/24/58/149022458.db2.gz JJJOXOGNWUIQOM-DOTOQJQBSA-N 3 0 317.477 2.514 20 0 DFADRP O=C1CCCCN1CCC[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000361231141 149061184 /nfs/dbraw/zinc/06/11/84/149061184.db2.gz RZCLKQNNDUUCDQ-UHFFFAOYSA-N 2 0 321.509 2.776 20 0 DFADRP c1csc(N2CCC([NH2+]C3CC[NH+](CC4CC4)CC3)CC2)n1 ZINC000361281490 149073853 /nfs/dbraw/zinc/07/38/53/149073853.db2.gz OMIGUWLQXXKDBY-UHFFFAOYSA-N 2 0 320.506 2.576 20 0 DFADRP COCC1(C[NH+]2CCC(CCC[NH+]3CCOCC3)CC2)CCC1 ZINC000361348275 149093018 /nfs/dbraw/zinc/09/30/18/149093018.db2.gz JCDWGQPCJAILDF-UHFFFAOYSA-N 2 0 324.509 2.628 20 0 DFADRP CC[C@H](C)[C@@H]([NH3+])C(=O)NC1CC[NH+](CC2CCCCC2)CC1 ZINC000361725888 149202873 /nfs/dbraw/zinc/20/28/73/149202873.db2.gz GLNSDMYWKQIJGG-WMLDXEAASA-N 2 0 309.498 2.521 20 0 DFADRP C[C@H]([NH2+][C@@H]1CCN(C)[C@@H](C)C1)c1ccc(OCC[NH+](C)C)cc1 ZINC000361770603 149215370 /nfs/dbraw/zinc/21/53/70/149215370.db2.gz VWNUDRUDCJZUNU-XYJFISCASA-N 2 0 319.493 2.760 20 0 DFADRP C[C@H]1C[N@H+](C)CC[C@H]1[NH2+]CCc1nc(C(F)(F)F)cs1 ZINC000361806231 149224599 /nfs/dbraw/zinc/22/45/99/149224599.db2.gz GALIRLNRTSAZFC-VHSXEESVSA-N 2 0 307.385 2.634 20 0 DFADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]C[C@H](OC)C(C)(C)C)[C@@H](C)C1 ZINC000361812494 149226509 /nfs/dbraw/zinc/22/65/09/149226509.db2.gz MJWCZJPURHPCHF-ULQDDVLXSA-N 2 0 314.514 2.774 20 0 DFADRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H]2C[C@H](OC)C2(C)C)[C@@H](C)C1 ZINC000361928917 149257733 /nfs/dbraw/zinc/25/77/33/149257733.db2.gz XRKCPFWHNOAWFM-NXOAAHMSSA-N 2 0 312.498 2.527 20 0 DFADRP C[N@H+](Cc1ccccc1)[C@@H]1CCC[NH+](CCn2ccnc2)CC1 ZINC000362395852 149296091 /nfs/dbraw/zinc/29/60/91/149296091.db2.gz KWUOUFOOKJWCHR-LJQANCHMSA-N 2 0 312.461 2.870 20 0 DFADRP CN(Cc1c[nH]cn1)C(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C ZINC000667197034 543564450 /nfs/dbraw/zinc/56/44/50/543564450.db2.gz KBAWHBLYPLCABL-INIZCTEOSA-N 2 0 313.405 2.623 20 0 DFADRP CCN(C)c1ccc(CNc2ccncc2Br)cn1 ZINC000362802458 149367844 /nfs/dbraw/zinc/36/78/44/149367844.db2.gz SXPCGCXPHRVGKP-UHFFFAOYSA-N 2 0 321.222 2.729 20 0 DFADRP CCN(C(=O)[C@H](C)[NH+]1CCC(C[NH+](C)C)CC1)c1ccccc1 ZINC000350952396 286101883 /nfs/dbraw/zinc/10/18/83/286101883.db2.gz RWAJTZCJRSGEBR-INIZCTEOSA-N 2 0 317.477 2.702 20 0 DFADRP C[NH+](C)[C@@H](CNC(=O)CC[C@H]1CCCC[N@@H+]1C)c1ccsc1 ZINC000351250571 286117530 /nfs/dbraw/zinc/11/75/30/286117530.db2.gz JRNOZVXMLFZTAJ-CVEARBPZSA-N 2 0 323.506 2.732 20 0 DFADRP CCC[C@H]([NH2+]C(C)C)C(=O)NC[C@H](c1ccsc1)[NH+](C)C ZINC000351261638 286119117 /nfs/dbraw/zinc/11/91/17/286119117.db2.gz XIQRPQMWNMJESY-LSDHHAIUSA-N 2 0 311.495 2.634 20 0 DFADRP [NH3+][C@@H]1CC[C@H]2C[N@H+](Cc3ccc(OCC(F)(F)F)cc3)C[C@H]12 ZINC000351482083 286131565 /nfs/dbraw/zinc/13/15/65/286131565.db2.gz YRPTZAOEFDLTAL-AEGPPILISA-N 2 0 314.351 2.797 20 0 DFADRP [NH3+][C@@H]1CC[C@@H]2C[N@H+](CCC(=O)Nc3cccc4ccccc43)C[C@@H]12 ZINC000351488189 286133344 /nfs/dbraw/zinc/13/33/44/286133344.db2.gz DZSMKCVXPUSOQI-KBAYOESNSA-N 2 0 323.440 2.838 20 0 DFADRP [NH3+][C@@H]1CC[C@H]2C[N@H+](Cc3cc(-c4ccc(F)cc4)no3)C[C@@H]12 ZINC000351495930 286135727 /nfs/dbraw/zinc/13/57/27/286135727.db2.gz QDWILTGATYCTRV-APHBMKBZSA-N 2 0 301.365 2.650 20 0 DFADRP C[NH+](C)CCc1ccc(NC(=O)[C@@H]2C[C@@H]3CCCC[N@@H+]3C2)cc1 ZINC000370008142 149869577 /nfs/dbraw/zinc/86/95/77/149869577.db2.gz HCSONFSJIAOXLG-AEFFLSMTSA-N 2 0 315.461 2.604 20 0 DFADRP COCc1cccc(C[N@@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@H]32)c1 ZINC000371295501 150018322 /nfs/dbraw/zinc/01/83/22/150018322.db2.gz RYTXAXQTEJIXDH-IPMKNSEASA-N 2 0 318.461 2.517 20 0 DFADRP CCOC(=O)[C@H](CC)[NH+]1CCC2(C[C@@H]2C[N@H+](C)C2CC2)CC1 ZINC000371329288 150024509 /nfs/dbraw/zinc/02/45/09/150024509.db2.gz GSGLJCZQRIXXMJ-ZBFHGGJFSA-N 2 0 308.466 2.524 20 0 DFADRP CC1(C)[C@H]([NH2+]CCc2cn3c(n2)CCCC3)[C@H]2CCCO[C@H]21 ZINC000371506566 150057841 /nfs/dbraw/zinc/05/78/41/150057841.db2.gz SNXKKMOVNGKJLI-DJIMGWMZSA-N 2 0 303.450 2.555 20 0 DFADRP CCN1CCC[C@@H]([NH2+][C@H]2CCC(=O)Nc3ccc(F)cc32)C1 ZINC000371687875 150081509 /nfs/dbraw/zinc/08/15/09/150081509.db2.gz BBELZJYYIUMONR-HIFRSBDPSA-N 2 0 305.397 2.673 20 0 DFADRP CC[N@@H+]1CC[C@@H](C[NH2+][C@H]2CCCOc3cc(OC)ccc32)C1 ZINC000371877202 150107091 /nfs/dbraw/zinc/10/70/91/150107091.db2.gz TXIXNKKAEKXWEY-YOEHRIQHSA-N 2 0 304.434 2.840 20 0 DFADRP Cc1cnn(CC2CC[NH+](CC[C@@H]3CCCC[N@H+]3C)CC2)c1 ZINC000351598157 286164534 /nfs/dbraw/zinc/16/45/34/286164534.db2.gz MZGGHCTZCTUOMA-SFHVURJKSA-N 2 0 304.482 2.778 20 0 DFADRP C[N@@H+]1CCCC[C@H]1CC[NH+]1CCC[C@H](CNC(=O)C(C)(C)C)C1 ZINC000351599267 286165142 /nfs/dbraw/zinc/16/51/42/286165142.db2.gz WISHUMDULWFQOW-SJORKVTESA-N 2 0 323.525 2.735 20 0 DFADRP CC[N@@H+]1CC[C@H]([NH2+][C@H]2CCN(c3ccc(C)cc3)C2)[C@@H](C)C1 ZINC000372781927 150184308 /nfs/dbraw/zinc/18/43/08/150184308.db2.gz PMFCNRKJFFFFID-LNLFQRSKSA-N 2 0 301.478 2.894 20 0 DFADRP CCCC[C@@H](C)[NH2+]Cc1c(C)nn(C)c1N1CCC[N@H+](C)CC1 ZINC000372783629 150184551 /nfs/dbraw/zinc/18/45/51/150184551.db2.gz RIUALMMLEATPHL-OAHLLOKOSA-N 2 0 321.513 2.539 20 0 DFADRP CCCC[C@H](CC)C[NH+]1CCC(N2CCC[C@H]2C(N)=O)CC1 ZINC000372976049 150210147 /nfs/dbraw/zinc/21/01/47/150210147.db2.gz NWAXWLVFCGIGNX-RDJZCZTQSA-N 2 0 309.498 2.617 20 0 DFADRP Cc1ccc(C[N@@H+](C)[C@@H]2CCN(C3CC[NH+](C)CC3)C2)cc1C ZINC000373002089 150214887 /nfs/dbraw/zinc/21/48/87/150214887.db2.gz ZLVZTDYGOCYOJX-HXUWFJFHSA-N 2 0 315.505 2.904 20 0 DFADRP COc1ccc(C[N@@H+]2CCC[C@@H](c3nccn3C)C2)cc1F ZINC000373108012 150232885 /nfs/dbraw/zinc/23/28/85/150232885.db2.gz ZAMUOYYLLNKZRG-CQSZACIVSA-N 2 0 303.381 2.947 20 0 DFADRP COc1ccc(CC[C@H](C)[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)cc1O ZINC000373789937 150256918 /nfs/dbraw/zinc/25/69/18/150256918.db2.gz YQUNOEPCGOSUNB-UAGQMJEPSA-N 2 0 318.461 2.938 20 0 DFADRP C[NH+]1CCC2(CCC[N@H+](C[C@@H](O)CCc3ccccc3)C2)CC1 ZINC000374075577 150303619 /nfs/dbraw/zinc/30/36/19/150303619.db2.gz VINSLPWSOZEDQW-IBGZPJMESA-N 2 0 316.489 2.788 20 0 DFADRP C[C@@H]1C[N@H+](CCCc2ccccc2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000374322239 150343799 /nfs/dbraw/zinc/34/37/99/150343799.db2.gz CLVAKUQSUXLERE-UYAOXDASSA-N 2 0 315.505 2.577 20 0 DFADRP C[C@@H]1CN(Cc2cccc(Cl)c2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000374332131 150346830 /nfs/dbraw/zinc/34/68/30/150346830.db2.gz RCFBJTGDUSTKFE-QAPCUYQASA-N 2 0 321.896 2.798 20 0 DFADRP CCO[C@@H](CC[NH+](C)C)C[NH2+][C@@H](C)c1ccccc1N(C)C ZINC000093946826 286198124 /nfs/dbraw/zinc/19/81/24/286198124.db2.gz VRUMOYJUZJYGME-HOTGVXAUSA-N 2 0 307.482 2.760 20 0 DFADRP CCO[C@@H](CC[NH+](C)C)C[NH2+][C@@H](C)c1nc2ccccc2n1C ZINC000091369113 286198266 /nfs/dbraw/zinc/19/82/66/286198266.db2.gz IXAGRPVEMCCDRW-GJZGRUSLSA-N 2 0 318.465 2.581 20 0 DFADRP CCO[C@@H]1C[C@@H]([NH2+]CC[C@H](C)[NH+]2CCCCC2)C12CCOCC2 ZINC000249010355 286282389 /nfs/dbraw/zinc/28/23/89/286282389.db2.gz OOTRVGDMMUUDFR-RCCFBDPRSA-N 2 0 324.509 2.815 20 0 DFADRP CCC[C@H]([NH2+]C(C)C)C(=O)NCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000352156323 286307274 /nfs/dbraw/zinc/30/72/74/286307274.db2.gz IYQNENCSXFIAQP-BBWFWOEESA-N 2 0 311.514 2.637 20 0 DFADRP CCC[C@@H]([NH2+]C(C)C)C(=O)N1CCC([NH+]2CCCCC2)CC1 ZINC000352216403 286320134 /nfs/dbraw/zinc/32/01/34/286320134.db2.gz HONKKUXMVWQVJW-QGZVFWFLSA-N 2 0 309.498 2.630 20 0 DFADRP COc1ccc([C@H]2CCC[N@@H+]2C[C@@]2(C)CC[NH2+]C2)cc1OC ZINC000261893624 286378267 /nfs/dbraw/zinc/37/82/67/286378267.db2.gz UMNQNOBUWZBHCC-QAPCUYQASA-N 2 0 304.434 2.840 20 0 DFADRP C[C@H]1CC[C@H](C)[NH+]1CC(=O)N(CC[NH+](C)C)CC1CCCCC1 ZINC000355416527 300063873 /nfs/dbraw/zinc/06/38/73/300063873.db2.gz XLDOFBGKYGJURQ-IRXDYDNUSA-N 2 0 323.525 2.830 20 0 DFADRP CC(C)CC[NH+]1CCC(C[NH2+][C@H](C)C(C)(C)n2cncn2)CC1 ZINC000353253319 286591649 /nfs/dbraw/zinc/59/16/49/286591649.db2.gz LEFRJMCLRJQJEN-MRXNPFEDSA-N 2 0 321.513 2.749 20 0 DFADRP CC[C@H]([NH2+][C@@H]1CCN(C)[C@@H](C)C1)c1ccc2c(c1)OCCO2 ZINC000246809316 158100332 /nfs/dbraw/zinc/10/03/32/158100332.db2.gz AMYDXYHIALEMNV-IMJJTQAJSA-N 2 0 304.434 2.981 20 0 DFADRP COC(=O)[C@H](C)C[N@H+](CC[C@H]1CCC[NH+]1C)Cc1ccccc1 ZINC000247120307 158119009 /nfs/dbraw/zinc/11/90/09/158119009.db2.gz MLHDBDCHMWWXNJ-SJLPKXTDSA-N 2 0 318.461 2.782 20 0 DFADRP C[C@H]([NH2+]C[C@H]1CC[N@@H+](C2CC2)C1)c1ccc([S@@](C)=O)cc1 ZINC000247126897 158119701 /nfs/dbraw/zinc/11/97/01/158119701.db2.gz RKNVNTYAVAQOKA-PXIJXODZSA-N 2 0 306.475 2.559 20 0 DFADRP C[N@@H+]1CCC[C@H]1CC[NH+]1CCC[C@@H](C(=O)Nc2ccccc2)C1 ZINC000247439919 158136429 /nfs/dbraw/zinc/13/64/29/158136429.db2.gz WOOJYUUHDRWBRY-AEFFLSMTSA-N 2 0 315.461 2.821 20 0 DFADRP C[N@@H+]1CCC[C@@H]2CN(CC(=O)Nc3ccc(Cl)cc3)CC[C@H]21 ZINC000248186212 158165189 /nfs/dbraw/zinc/16/51/89/158165189.db2.gz XJXIOUAMCOOWSS-CZUORRHYSA-N 2 0 321.852 2.695 20 0 DFADRP C[N@H+](CCN1CC[C@@H]2[C@H](CCC[NH+]2C)C1)Cc1ccc(F)cc1 ZINC000248543386 158182275 /nfs/dbraw/zinc/18/22/75/158182275.db2.gz DANRBUAGTDNIAP-IEBWSBKVSA-N 2 0 319.468 2.674 20 0 DFADRP Cc1cnn(CC[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)c1 ZINC000248755797 158200290 /nfs/dbraw/zinc/20/02/90/158200290.db2.gz CPQVUAQAXFHDLX-OWZKRDHZSA-N 2 0 324.472 2.977 20 0 DFADRP C[C@@H]1CCC[C@@H]([NH+]2CCC([NH2+]CCc3ccn(C)n3)CC2)C1 ZINC000355042180 158259365 /nfs/dbraw/zinc/25/93/65/158259365.db2.gz SBNMTBOMKRBGAE-CRAIPNDOSA-N 2 0 304.482 2.595 20 0 DFADRP C[N@H+](CCC1CCN(c2cc[nH+]cc2)CC1)C[C@H]1CCOC1 ZINC000357027086 158351606 /nfs/dbraw/zinc/35/16/06/158351606.db2.gz SBNKQSNGSCQLHJ-QGZVFWFLSA-N 2 0 303.450 2.656 20 0 DFADRP c1csc(-c2ncc(CN3CC[C@@H]4C[NH2+]C[C@H]4C3)s2)c1 ZINC000357053623 158356873 /nfs/dbraw/zinc/35/68/73/158356873.db2.gz PKRHSOCJZPTBEP-NEPJUHHUSA-N 2 0 305.472 2.913 20 0 DFADRP CC(=O)c1ccccc1OCC[NH+]1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000357079651 158361642 /nfs/dbraw/zinc/36/16/42/158361642.db2.gz MNKQODJYBGGXDJ-KRWDZBQOSA-N 2 0 316.445 2.590 20 0 DFADRP CCc1cccc(NC(=O)C[NH+]2CCC([C@H]3CC[NH2+]C3)CC2)c1 ZINC000357083035 158362698 /nfs/dbraw/zinc/36/26/98/158362698.db2.gz IIUQVFMGBOWMGG-KRWDZBQOSA-N 2 0 315.461 2.509 20 0 DFADRP CC[N@H+](CCC1CC[NH+](CC(=O)N(C)C(C)C)CC1)CC1CC1 ZINC000357086548 158362995 /nfs/dbraw/zinc/36/29/95/158362995.db2.gz OVUZTESCGQIUFZ-UHFFFAOYSA-N 2 0 323.525 2.687 20 0 DFADRP Cc1ccc(NC(=O)[C@H](C)[N@@H+]2CCC3(C2)CC[NH2+]CC3)c(C)c1 ZINC000358505447 158383130 /nfs/dbraw/zinc/38/31/30/158383130.db2.gz IFBWGAANRDKXNJ-INIZCTEOSA-N 2 0 315.461 2.706 20 0 DFADRP c1coc(-c2nc(C[NH+]3CCC4(CC[NH2+]C4)CC3)cs2)c1 ZINC000430949980 296814082 /nfs/dbraw/zinc/81/40/82/296814082.db2.gz FVQNYVLTSKWANW-UHFFFAOYSA-N 2 0 303.431 2.979 20 0 DFADRP C[NH2+]CC1CC[NH+](CCCc2nc(-c3ccccc3)no2)CC1 ZINC000430943985 296813909 /nfs/dbraw/zinc/81/39/09/296813909.db2.gz KAVNVIURPFMQCO-UHFFFAOYSA-N 2 0 314.433 2.601 20 0 DFADRP CCn1c2ccc(F)cc2nc1C[NH+]1CCC([C@@H](C)[NH3+])CC1 ZINC000430954531 296814905 /nfs/dbraw/zinc/81/49/05/296814905.db2.gz WOPWNMJFTATBHC-GFCCVEGCSA-N 2 0 304.413 2.755 20 0 DFADRP Cc1ccc(NC(=O)[C@H](C)[NH+]2CCC3(CC[NH2+]C3)CC2)cc1C ZINC000431037181 296819154 /nfs/dbraw/zinc/81/91/54/296819154.db2.gz IFUYJZIBSTXGOG-INIZCTEOSA-N 2 0 315.461 2.706 20 0 DFADRP C[C@H](CNC(=O)C[C@H](c1ccccc1)[NH+](C)C)C[NH+]1CCCC1 ZINC000431724895 296847498 /nfs/dbraw/zinc/84/74/98/296847498.db2.gz XGIHTAIIPMTDGJ-SJLPKXTDSA-N 2 0 317.477 2.528 20 0 DFADRP C[C@@H](N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)[C@H](c1ccccc1)[NH+](C)C ZINC000186321399 287059910 /nfs/dbraw/zinc/05/99/10/287059910.db2.gz FSNRUUGKPDLDJO-NXWXRZEISA-N 2 0 301.478 2.894 20 0 DFADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1[NH2+]Cc1cccc(Cn2cccn2)c1 ZINC000129424368 196047431 /nfs/dbraw/zinc/04/74/31/196047431.db2.gz WUEOXTLZICTLSJ-GJYPPUQNSA-N 2 0 312.461 2.750 20 0 DFADRP C[C@@H](C[NH2+]Cc1c[nH]nc1-c1cccnc1)C[NH+]1CCCCC1 ZINC000054041305 425889085 /nfs/dbraw/zinc/88/90/85/425889085.db2.gz OJGNOHZBJHAEIJ-HNNXBMFYSA-N 2 0 313.449 2.683 20 0 DFADRP CC[NH2+]Cc1cccc(NC(=O)[C@@H]2C[C@H]3CCCC[C@@H]3[NH2+]2)c1 ZINC000131639234 196186395 /nfs/dbraw/zinc/18/63/95/196186395.db2.gz MDROVCFAHYDYLO-PVAVHDDUSA-N 2 0 301.434 2.655 20 0 DFADRP C[C@@H]([NH2+]CC(C)(C)C[NH+](C)C)c1ccc(OCC[NH+](C)C)cc1 ZINC000132104078 196226949 /nfs/dbraw/zinc/22/69/49/196226949.db2.gz KQIRUWKXYKEJJS-MRXNPFEDSA-N 3 0 321.509 2.865 20 0 DFADRP COCCCC[NH2+]Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000133021495 196305284 /nfs/dbraw/zinc/30/52/84/196305284.db2.gz NLVAWLGCSVGKAX-UHFFFAOYSA-N 2 0 319.493 2.733 20 0 DFADRP C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)C1([NH3+])CCC1 ZINC000296042312 287275837 /nfs/dbraw/zinc/27/58/37/287275837.db2.gz OCVUFFKIIFKECT-OAHLLOKOSA-N 2 0 315.461 2.559 20 0 DFADRP CC[NH+](CC)Cc1cccc(CNC(=O)[C@]2(CC)CCC[NH2+]2)c1 ZINC000134565747 196401920 /nfs/dbraw/zinc/40/19/20/196401920.db2.gz GXMHDESXFABGMM-IBGZPJMESA-N 2 0 317.477 2.677 20 0 DFADRP CSC1(C[NH2+]Cc2cn(-c3cc[nH+]cc3)nc2C)CCC1 ZINC000433182210 296898955 /nfs/dbraw/zinc/89/89/55/296898955.db2.gz MWJUQWHXPLMZJM-UHFFFAOYSA-N 2 0 302.447 2.951 20 0 DFADRP C[C@@H]1CCCC[C@H]1C[NH+]1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000183052870 287307441 /nfs/dbraw/zinc/30/74/41/287307441.db2.gz YIDWBFWTBWPIEA-QYZOEREBSA-N 2 0 307.526 2.915 20 0 DFADRP CCOc1ccccc1[C@@H](C)[NH2+]C1CCN(CC[NH+](C)C)CC1 ZINC000150993091 196614075 /nfs/dbraw/zinc/61/40/75/196614075.db2.gz KQJYFZBGBSBOKW-MRXNPFEDSA-N 2 0 319.493 2.762 20 0 DFADRP Cc1ncc(CN2CCC[N@H+](Cc3ccccc3C)CC2)n1C ZINC000667497468 543618663 /nfs/dbraw/zinc/61/86/63/543618663.db2.gz CKEMAJGXOIHRJE-UHFFFAOYSA-N 2 0 312.461 2.745 20 0 DFADRP CCCC[N@H+](C)CC1CC[NH+](Cc2cnn3c2CCC3)CC1 ZINC000667501647 543619511 /nfs/dbraw/zinc/61/95/11/543619511.db2.gz FKYHKYWQSLXXGF-UHFFFAOYSA-N 2 0 304.482 2.773 20 0 DFADRP c1ccc(CN2CCC[C@H]([NH2+][C@H]3CO[C@@H](C4CC4)C3)C2)cc1 ZINC000667884181 543697603 /nfs/dbraw/zinc/69/76/03/543697603.db2.gz NNTZRVQALMPOTK-IPMKNSEASA-N 2 0 300.446 2.808 20 0 DFADRP CC[N@@H+]1CC[C@H](N(C)Cc2ccnn2-c2cc[nH+]cc2)C[C@H]1C ZINC000667664100 543654163 /nfs/dbraw/zinc/65/41/63/543654163.db2.gz CITXGEUWXOQMAR-WBVHZDCISA-N 2 0 313.449 2.572 20 0 DFADRP CC(C)[NH+](CCCNC(=O)Nc1cccc(C[NH3+])c1)C(C)C ZINC000667726621 543667654 /nfs/dbraw/zinc/66/76/54/543667654.db2.gz VBPVHNYBULRICJ-UHFFFAOYSA-N 2 0 306.454 2.776 20 0 DFADRP C[C@H]1CCC[N@H+](CCCCNC(=O)Nc2cccc(C[NH3+])c2)C1 ZINC000667730960 543668628 /nfs/dbraw/zinc/66/86/28/543668628.db2.gz HWZPJFQAUSQHTM-HNNXBMFYSA-N 2 0 318.465 2.779 20 0 DFADRP CC[NH2+]Cc1cccc(NC(=O)N(C)CCCC[NH+](C)C)c1 ZINC000667771606 543675898 /nfs/dbraw/zinc/67/58/98/543675898.db2.gz MZVYOXZOQBTQBQ-UHFFFAOYSA-N 2 0 306.454 2.602 20 0 DFADRP CC[NH2+]Cc1ccccc1NC(=O)N[C@@H](CC)C[NH+]1CCCC1 ZINC000667778325 543676283 /nfs/dbraw/zinc/67/62/83/543676283.db2.gz IAUMYFNUOYHTNW-INIZCTEOSA-N 2 0 318.465 2.792 20 0 DFADRP CN(C)c1cc[nH+]c(NC(=O)CC[N@@H+]2CCc3ccccc3C2)c1 ZINC000667984821 543718263 /nfs/dbraw/zinc/71/82/63/543718263.db2.gz NLSZWRGHZJOWMA-UHFFFAOYSA-N 2 0 324.428 2.535 20 0 DFADRP Cc1ncc(CN2CCN([C@H](C)c3ccsc3)CC2)n1C ZINC000667992990 543720402 /nfs/dbraw/zinc/72/04/02/543720402.db2.gz KSRVEAGFXPWFQT-CYBMUJFWSA-N 2 0 304.463 2.669 20 0 DFADRP CN(CCC[NH+]1CCCC1)C(=O)C[C@H](c1ccccc1)[NH+](C)C ZINC000667999490 543721209 /nfs/dbraw/zinc/72/12/09/543721209.db2.gz DWIMGPFFMLYKFW-GOSISDBHSA-N 2 0 317.477 2.624 20 0 DFADRP CN(Cc1cccc(F)c1OC(F)F)C[C@H]1CC[N@H+](C)C1 ZINC000668021047 543724785 /nfs/dbraw/zinc/72/47/85/543724785.db2.gz YJIAOEZPKKHHKY-NSHDSACASA-N 2 0 302.340 2.811 20 0 DFADRP Cc1cccn2c(NC(=O)N3CCC[C@@H]([NH+](C)C)CC3)cnc12 ZINC000667955994 543711021 /nfs/dbraw/zinc/71/10/21/543711021.db2.gz QPTGUXKZJLLDRI-CQSZACIVSA-N 2 0 315.421 2.591 20 0 DFADRP c1nc2n(c1C[N@@H+]1CC3(CCC3)[C@H]1C1CCOCC1)CCC2 ZINC000668251810 543777987 /nfs/dbraw/zinc/77/79/87/543777987.db2.gz KUYHXADHTXNDIN-QGZVFWFLSA-N 2 0 301.434 2.610 20 0 DFADRP CCCN(CC[NH+]1CCCC1)Cc1ccnn1-c1cc[nH+]cc1 ZINC000668145486 543749253 /nfs/dbraw/zinc/74/92/53/543749253.db2.gz MKMIJISSAUVVBW-UHFFFAOYSA-N 2 0 313.449 2.575 20 0 DFADRP CC[N@H+](Cc1cnn2c1CCC2)Cc1ccc(C[NH+](C)C)cc1 ZINC000668161109 543753976 /nfs/dbraw/zinc/75/39/76/543753976.db2.gz REXVVBDFTQIXTJ-UHFFFAOYSA-N 2 0 312.461 2.913 20 0 DFADRP CC[C@@H](C)[NH+]1CCN(C(=O)Nc2ccn3cc(C)nc3c2)CC1 ZINC000668165826 543756274 /nfs/dbraw/zinc/75/62/74/543756274.db2.gz HGXWHXBNGHSFNU-CQSZACIVSA-N 2 0 315.421 2.591 20 0 DFADRP Oc1ccc(C[NH2+]CC2CC[NH+](Cc3ccncc3)CC2)cc1 ZINC000668511281 543816253 /nfs/dbraw/zinc/81/62/53/543816253.db2.gz DYSJSPOUTFSFNC-UHFFFAOYSA-N 2 0 311.429 2.789 20 0 DFADRP C[NH+](C)CCOc1ccc(C[N@H+](C)CC2=CCSC2)cc1 ZINC000668775009 543865531 /nfs/dbraw/zinc/86/55/31/543865531.db2.gz CXJYDAJIJLEUOL-UHFFFAOYSA-N 2 0 306.475 2.732 20 0 DFADRP C[C@@H](CCc1cccc(F)c1)[NH+]1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000668740863 543859047 /nfs/dbraw/zinc/85/90/47/543859047.db2.gz XVUUQNWZQBTCSF-KXBFYZLASA-N 2 0 320.452 2.678 20 0 DFADRP C[C@H](CCc1cccc(F)c1)[NH+]1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000668740853 543859533 /nfs/dbraw/zinc/85/95/33/543859533.db2.gz XVUUQNWZQBTCSF-BEFAXECRSA-N 2 0 320.452 2.678 20 0 DFADRP Cc1cccc2[nH]c(CN3CCN(c4nccn4C)CC3)cc21 ZINC000668791817 543868853 /nfs/dbraw/zinc/86/88/53/543868853.db2.gz AIFBFHUSUZNYCH-UHFFFAOYSA-N 2 0 309.417 2.532 20 0 DFADRP [NH3+]Cc1cccc(NC(=O)c2ccccc2CC2CC[NH2+]CC2)c1 ZINC000669508425 543958353 /nfs/dbraw/zinc/95/83/53/543958353.db2.gz WMIJQMUSZDBJFH-UHFFFAOYSA-N 2 0 323.440 2.940 20 0 DFADRP [NH3+][C@H](C(=O)NCC[NH2+]C1CCCCCC1)c1cccc(Cl)c1 ZINC000669512315 543959016 /nfs/dbraw/zinc/95/90/16/543959016.db2.gz XHXHIHDFABLQFX-INIZCTEOSA-N 2 0 323.868 2.768 20 0 DFADRP CC[NH+]1CCN(c2ccc(C[NH2+]C[C@@H](C)C(C)(C)C)cn2)CC1 ZINC000670266712 544030994 /nfs/dbraw/zinc/03/09/94/544030994.db2.gz URQAXSJTLHIVLN-MRXNPFEDSA-N 2 0 318.509 2.995 20 0 DFADRP C[C@@H](C[NH2+]Cc1cccc(C(=O)NCC[NH+](C)C)c1)C(C)(C)C ZINC000670266951 544031059 /nfs/dbraw/zinc/03/10/59/544031059.db2.gz JJLNGAZHFHKKML-HNNXBMFYSA-N 2 0 319.493 2.750 20 0 DFADRP C[C@H](C[NH2+]Cc1cccc(C(=O)NCC[NH+](C)C)c1)C(C)(C)C ZINC000670266952 544031425 /nfs/dbraw/zinc/03/14/25/544031425.db2.gz JJLNGAZHFHKKML-OAHLLOKOSA-N 2 0 319.493 2.750 20 0 DFADRP COC(C)(C)[C@@H](C)[NH2+]C[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000671109048 544056006 /nfs/dbraw/zinc/05/60/06/544056006.db2.gz UWXNYZZAGJTGEY-AEFFLSMTSA-N 2 0 304.478 2.954 20 0 DFADRP C[NH+]1CCN(C(C)(C)C[NH2+]Cc2ccc3occc3c2)CC1 ZINC000671706829 544099632 /nfs/dbraw/zinc/09/96/32/544099632.db2.gz PDEVKZDTIZSCJN-UHFFFAOYSA-N 2 0 301.434 2.548 20 0 DFADRP CC(C)[C@H](CO)C[NH2+][C@H](C)c1cccc(OCC[NH+](C)C)c1 ZINC000672615551 544143486 /nfs/dbraw/zinc/14/34/86/544143486.db2.gz IDNJUAQLKJTLHN-WBVHZDCISA-N 2 0 308.466 2.542 20 0 DFADRP CC(C)N(C)C(=O)[C@H](C)[NH+]1CCC(C[NH+]2CCCCCC2)CC1 ZINC000673855346 544203047 /nfs/dbraw/zinc/20/30/47/544203047.db2.gz NPNSQLPVWBARJE-KRWDZBQOSA-N 2 0 323.525 2.830 20 0 DFADRP C[C@@H](C(=O)NCc1ccccc1C[N@@H+]1CCCC[C@@H]1C)[NH+](C)C ZINC000674245288 544226182 /nfs/dbraw/zinc/22/61/82/544226182.db2.gz JQAMLDNEZBQDHF-HOTGVXAUSA-N 2 0 317.477 2.627 20 0 DFADRP COc1ccc2[nH]cc(CC[NH2+][C@@H]3CC[N@H+](C)[C@@H](C)C3)c2c1 ZINC000675878324 544341117 /nfs/dbraw/zinc/34/11/17/544341117.db2.gz SCZCGVQQNSBYMR-DZGCQCFKSA-N 2 0 301.434 2.791 20 0 DFADRP CC(C)[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000675875128 544341247 /nfs/dbraw/zinc/34/12/47/544341247.db2.gz RGBXPLIWDMCSBQ-WDSOQIARSA-N 2 0 307.526 2.959 20 0 DFADRP CC(C)[C@@H]1CCCC[C@H]1[NH2+][C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000675875133 544341413 /nfs/dbraw/zinc/34/14/13/544341413.db2.gz RGBXPLIWDMCSBQ-YTQUADARSA-N 2 0 307.526 2.959 20 0 DFADRP COc1ccc(COCC[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)cc1 ZINC000675897702 544342690 /nfs/dbraw/zinc/34/26/90/544342690.db2.gz RQJKSTXUSYOULQ-PKOBYXMFSA-N 2 0 318.461 2.628 20 0 DFADRP CC(=O)Nc1cccc(C[NH+]2CCC[C@@H]3C[N@H+](C)CC[C@@H]32)c1 ZINC000676222400 544364739 /nfs/dbraw/zinc/36/47/39/544364739.db2.gz MSOGLSIAJLPTEM-AEFFLSMTSA-N 2 0 301.434 2.561 20 0 DFADRP C[C@@H](CC[N@@H+]1CCCOC(C)(C)C1)[NH+]1CCCOC(C)(C)C1 ZINC000676253126 544366016 /nfs/dbraw/zinc/36/60/16/544366016.db2.gz XKVPYSMXSXEMND-INIZCTEOSA-N 2 0 312.498 2.767 20 0 DFADRP CCO[C@@H]1CCC[N@H+](CC[C@@H](C)[NH+]2CCC[C@H](OCC)C2)C1 ZINC000676252548 544366147 /nfs/dbraw/zinc/36/61/47/544366147.db2.gz QYFFKKKUKVTHQI-KURKYZTESA-N 2 0 312.498 2.767 20 0 DFADRP Cn1ccnc1C[C@H]([NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccccc1 ZINC000677242025 544457881 /nfs/dbraw/zinc/45/78/81/544457881.db2.gz WGJLENHPYLXBTL-QRVBRYPASA-N 2 0 324.472 2.920 20 0 DFADRP CC[N@@H+]1CC[C@H](CN[C@@H]2C[NH+](Cc3ccccc3)C(C)(C)C2)C1 ZINC000677749342 544536148 /nfs/dbraw/zinc/53/61/48/544536148.db2.gz YKFKUZWDBGPYMZ-MOPGFXCFSA-N 2 0 315.505 2.971 20 0 DFADRP C[NH+](C)CCCC1CC[NH+](C[C@@H]2COc3ccccc3O2)CC1 ZINC000678046359 544587674 /nfs/dbraw/zinc/58/76/74/544587674.db2.gz SLYQCLREIJBPPM-QGZVFWFLSA-N 2 0 318.461 2.880 20 0 DFADRP Cc1nccn1CCCC[N@H+]1CCCC[C@@H]1c1cncn1C ZINC000678074563 544594884 /nfs/dbraw/zinc/59/48/84/544594884.db2.gz OATITXSIWGEJPX-MRXNPFEDSA-N 2 0 301.438 2.932 20 0 DFADRP C[C@H]1C[N@H+](Cc2ccc(OCC[NH+](C)C)cc2)CC(C)(C)O1 ZINC000678213736 544620431 /nfs/dbraw/zinc/62/04/31/544620431.db2.gz DVUSQNPEHVOSIY-HNNXBMFYSA-N 2 0 306.450 2.626 20 0 DFADRP C[NH+](C)CCOc1ccc(C[N@@H+]2CCC[C@@H]3COCC[C@H]32)cc1 ZINC000678333587 544652826 /nfs/dbraw/zinc/65/28/26/544652826.db2.gz DRESFXLZYPSFRD-IEBWSBKVSA-N 2 0 318.461 2.628 20 0 DFADRP C[N@@H+]1CCC[C@@H]2C[NH+](C[C@H]3CCOc4ccccc43)CC[C@@H]21 ZINC000678340898 544654673 /nfs/dbraw/zinc/65/46/73/544654673.db2.gz SDHFYAYQJXKSGW-NUJGCVRESA-N 2 0 300.446 2.969 20 0 DFADRP C[N@H+](CCC1CCN(c2cc[nH+]cc2)CC1)[C@@H]1CCCOC1 ZINC000678465396 544678501 /nfs/dbraw/zinc/67/85/01/544678501.db2.gz RKRZUMJLUNTYJS-GOSISDBHSA-N 2 0 303.450 2.799 20 0 DFADRP c1cnn(-c2ccc(C[NH2+]C3CC[NH+](C4CCC4)CC3)cc2)c1 ZINC000299362310 229075003 /nfs/dbraw/zinc/07/50/03/229075003.db2.gz VZPMBAPRVYHCJP-UHFFFAOYSA-N 2 0 310.445 2.979 20 0 DFADRP C[C@H]([NH2+][C@H]1CCN(C)[C@@H]1c1ccccc1)C1CC[NH+](C)CC1 ZINC000678608470 544702004 /nfs/dbraw/zinc/70/20/04/544702004.db2.gz OWZRMZZSTKXVRZ-ZYSHUDEJSA-N 2 0 301.478 2.752 20 0 DFADRP CC(C)[C@@H]([NH2+][C@@H]1CCN(C2CC[NH+](C)CC2)C1)c1cccnc1 ZINC000678686348 544710500 /nfs/dbraw/zinc/71/05/00/544710500.db2.gz OXLVAIBYSKMEKS-IEBWSBKVSA-N 2 0 316.493 2.537 20 0 DFADRP C[C@@H]1CCc2ccccc2[C@H]1[NH2+]CCCC[NH+]1CCN(C)CC1 ZINC000678765871 544716816 /nfs/dbraw/zinc/71/68/16/544716816.db2.gz HLEOJKAXZKHESS-XLIONFOSSA-N 2 0 315.505 2.927 20 0 DFADRP C[C@@H]1CCc2ccccc2[C@@H]1[NH2+]C[C@H](O)C[NH+]1CCCCC1 ZINC000678767389 544718407 /nfs/dbraw/zinc/71/84/07/544718407.db2.gz IKVFNNPTGMAQSU-HHXXYDBFSA-N 2 0 302.462 2.746 20 0 DFADRP C[C@@H]([NH2+]C1(c2ccc3c(c2)OCO3)CC1)C1CC[NH+](C)CC1 ZINC000679071774 544778632 /nfs/dbraw/zinc/77/86/32/544778632.db2.gz MWWJPCYCPPOJQS-CYBMUJFWSA-N 2 0 302.418 2.724 20 0 DFADRP C[C@H](CCCCO)[NH2+]Cc1cccc(CN2CCO[C@@H](C)C2)c1 ZINC000679336522 544836754 /nfs/dbraw/zinc/83/67/54/544836754.db2.gz WYOMEOIIPGORKI-SJORKVTESA-N 2 0 320.477 2.548 20 0 DFADRP C[NH+](C)CCOc1ccc(CC[NH2+]Cc2ccc(O)cc2)cc1 ZINC000679395284 544848185 /nfs/dbraw/zinc/84/81/85/544848185.db2.gz TYLGIHGTGIQMMI-UHFFFAOYSA-N 2 0 314.429 2.665 20 0 DFADRP CCc1cccc(OCC[NH+]2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000679438607 544854216 /nfs/dbraw/zinc/85/42/16/544854216.db2.gz ANMDQQBLBVMUMY-UHFFFAOYSA-N 2 0 311.429 2.845 20 0 DFADRP CC[NH+](CC)CCCC1CC[NH+](CCn2ccccc2=O)CC1 ZINC000679872919 544920447 /nfs/dbraw/zinc/92/04/47/544920447.db2.gz CARHKOFHPWMAHK-UHFFFAOYSA-N 2 0 319.493 2.682 20 0 DFADRP CO[C@H]1CCC[N@H+](Cc2cn(-c3cc[nH+]cc3)nc2C)CC1 ZINC000680333728 544992911 /nfs/dbraw/zinc/99/29/11/544992911.db2.gz APNNTAAMDSXAHQ-KRWDZBQOSA-N 2 0 300.406 2.577 20 0 DFADRP Cc1cc(N2CC[N@H+](CC(C)(C)O)[C@H](C)C2)c2ccccc2[nH+]1 ZINC000302472571 230257663 /nfs/dbraw/zinc/25/76/63/230257663.db2.gz DECDUDPWQSBROB-OAHLLOKOSA-N 2 0 313.445 2.825 20 0 DFADRP C[C@@H]1C[N@@H+](CCCC[NH2+]Cc2c(F)cccc2F)C[C@H](C)O1 ZINC000062253101 425900129 /nfs/dbraw/zinc/90/01/29/425900129.db2.gz BEIWMNFKWXDUDT-OKILXGFUSA-N 2 0 312.404 2.944 20 0 DFADRP CCCC[N@H+](C)CC1CC[NH+]([C@H](C)C(=O)NC(C)(C)C)CC1 ZINC000066960872 425907776 /nfs/dbraw/zinc/90/77/76/425907776.db2.gz GSPAZYDOMDXIHU-OAHLLOKOSA-N 2 0 311.514 2.734 20 0 DFADRP COc1ccccc1C[NH2+]CCCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000067453021 425910558 /nfs/dbraw/zinc/91/05/58/425910558.db2.gz ZLPZGIVXRLCDLN-HZPDHXFCSA-N 2 0 306.450 2.674 20 0 DFADRP CC[NH+](CC)CC(=O)NC[C@@H](c1ccccc1)[NH+](CC)CC ZINC000067998271 425915486 /nfs/dbraw/zinc/91/54/86/425915486.db2.gz PCUKQCNFQIIEGN-KRWDZBQOSA-N 2 0 305.466 2.528 20 0 DFADRP CC[NH+]1CCN([C@@H](C)C[NH2+][C@H]2CCSc3ccccc32)CC1 ZINC000155607450 425921457 /nfs/dbraw/zinc/92/14/57/425921457.db2.gz XZFRAKGKDARLQQ-RDJZCZTQSA-N 2 0 319.518 2.839 20 0 DFADRP C[C@@H](CNC(=O)c1cccc(C[NH+](C)C)c1)[N@@H+]1CCC[C@H](C)C1 ZINC000155781685 425927155 /nfs/dbraw/zinc/92/71/55/425927155.db2.gz IYHIOMJFVVDPIR-HOTGVXAUSA-N 2 0 317.477 2.598 20 0 DFADRP C[C@@H]([NH2+]CC1(N2CCCCC2)CC[NH+](C)CC1)c1ccco1 ZINC000124727608 425935701 /nfs/dbraw/zinc/93/57/01/425935701.db2.gz ODCUWWDSTREFPH-MRXNPFEDSA-N 2 0 305.466 2.881 20 0 DFADRP CC[C@H](C(=O)Nc1cccc(C[NH+]2CCCCC2)c1)[NH+](C)C ZINC000124774601 425937648 /nfs/dbraw/zinc/93/76/48/425937648.db2.gz FRJZGGGDHIFSIY-QGZVFWFLSA-N 2 0 303.450 2.951 20 0 DFADRP CCC[NH+]1CCC(C[NH2+][C@@H]2C[C@H](OCC)C23CCOCC3)CC1 ZINC000186319957 267813188 /nfs/dbraw/zinc/81/31/88/267813188.db2.gz HPWXGIJOARWQOT-MSOLQXFVSA-N 2 0 324.509 2.672 20 0 DFADRP CC[NH+](CC)Cc1ccc(C(=O)NCC[NH+](C(C)C)C(C)C)o1 ZINC000041790362 425852488 /nfs/dbraw/zinc/85/24/88/425852488.db2.gz IJJHSJHWNHUNMA-UHFFFAOYSA-N 2 0 323.481 2.970 20 0 DFADRP C[C@H]1C[C@@H](N(C)Cc2ccc3c(c2)sc(=O)n3C)CC[N@@H+]1C ZINC000192625212 268043343 /nfs/dbraw/zinc/04/33/43/268043343.db2.gz BVESLBMCRIOTHN-JSGCOSHPSA-N 2 0 319.474 2.515 20 0 DFADRP OCCCCC[NH2+][C@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000192926154 268054042 /nfs/dbraw/zinc/05/40/42/268054042.db2.gz OMBFXQFRLQQCBP-OTWHNJEPSA-N 2 0 302.462 2.649 20 0 DFADRP CCc1nc([C@@H](C)[NH2+]CCCN2CC[NH+](C(C)C)CC2)cs1 ZINC000193008061 268057086 /nfs/dbraw/zinc/05/70/86/268057086.db2.gz UFAZVLVJURZEHI-OAHLLOKOSA-N 2 0 324.538 2.772 20 0 DFADRP CC[C@H]([NH2+]CCCN1CC[NH+](C(C)C)CC1)c1c(C)noc1C ZINC000193007276 268057092 /nfs/dbraw/zinc/05/70/92/268057092.db2.gz KSJVJLIJCDEVCO-KRWDZBQOSA-N 2 0 322.497 2.748 20 0 DFADRP CC[C@@H]1CCCCN1C(=O)C[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000047969355 425872355 /nfs/dbraw/zinc/87/23/55/425872355.db2.gz BGCHZSVDQRXXQT-GOSISDBHSA-N 2 0 321.509 2.585 20 0 DFADRP Cc1nn(C)cc1[C@H](C)[NH2+]C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000195136863 268127393 /nfs/dbraw/zinc/12/73/93/268127393.db2.gz MAQAEAMHKDQRFM-YJBOKZPZSA-N 2 0 312.461 2.901 20 0 DFADRP Cc1nn(C)cc1[C@@H](C)[NH2+]C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000195136854 268127556 /nfs/dbraw/zinc/12/75/56/268127556.db2.gz MAQAEAMHKDQRFM-QAPCUYQASA-N 2 0 312.461 2.901 20 0 DFADRP C[C@@H](CC[NH+](C)C)[NH2+]CC1CCN(C(=O)OC(C)(C)C)CC1 ZINC000226366355 268143873 /nfs/dbraw/zinc/14/38/73/268143873.db2.gz UDETVRDGJHSSLH-AWEZNQCLSA-N 2 0 313.486 2.563 20 0 DFADRP CC(C)[NH+]1CCC([NH2+]C2CC(NC(=O)OC(C)(C)C)C2)CC1 ZINC000229838124 268145458 /nfs/dbraw/zinc/14/54/58/268145458.db2.gz PBNHQPFJRBOOLR-UHFFFAOYSA-N 2 0 311.470 2.505 20 0 DFADRP CCCC[NH+]1CCC(NC(=O)[C@H]2CCCCCC[C@H]2[NH3+])CC1 ZINC000236758424 268150126 /nfs/dbraw/zinc/15/01/26/268150126.db2.gz UITVZAULTHPFFV-DLBZAZTESA-N 2 0 309.498 2.665 20 0 DFADRP CCC[NH+]1CCC(N(C)C(=O)CC[C@H]([NH3+])c2ccccc2)CC1 ZINC000236774241 268150226 /nfs/dbraw/zinc/15/02/26/268150226.db2.gz MERNQZIXRCRUCO-SFHVURJKSA-N 2 0 317.477 2.799 20 0 DFADRP C[NH2+]C[C@H]1CCCN(C(=O)c2ccc(Nc3cc[nH+]cc3)cc2)C1 ZINC000237073150 268154080 /nfs/dbraw/zinc/15/40/80/268154080.db2.gz HHALELGCVXRVPP-OAHLLOKOSA-N 2 0 324.428 2.897 20 0 DFADRP [NH3+]C[C@H]1CCCCN1C(=O)c1ccc(Nc2cc[nH+]cc2)cc1 ZINC000237960829 268162430 /nfs/dbraw/zinc/16/24/30/268162430.db2.gz UHVGVSMIWILYAT-QGZVFWFLSA-N 2 0 310.401 2.779 20 0 DFADRP CC(C)C[C@@H](C)C[NH2+]Cc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000281933945 268271553 /nfs/dbraw/zinc/27/15/53/268271553.db2.gz IFDNRHCOYBLQTR-MRXNPFEDSA-N 2 0 304.482 2.605 20 0 DFADRP Cn1cnc(CC[NH2+]Cc2ccc(F)c(Br)c2)c1 ZINC000313289021 268339406 /nfs/dbraw/zinc/33/94/06/268339406.db2.gz DCOWHTYEVWGNIS-UHFFFAOYSA-N 2 0 312.186 2.654 20 0 DFADRP C[C@H](Cc1ccc(Br)cc1)[NH2+]CCc1cn(C)cn1 ZINC000313268135 268339674 /nfs/dbraw/zinc/33/96/74/268339674.db2.gz VCMTYFFUPJGBEP-GFCCVEGCSA-N 2 0 322.250 2.946 20 0 DFADRP C[C@@H](c1ccc(Br)cc1)N1CCCO[C@H](C[NH3+])C1 ZINC000313351157 268339850 /nfs/dbraw/zinc/33/98/50/268339850.db2.gz MYBSXHRHYZFTIP-SMDDNHRTSA-N 2 0 313.239 2.560 20 0 DFADRP O=C1CC[C@@H]([NH2+]CCC2CCCCCC2)[C@H](C2CC[NH2+]CC2)N1 ZINC000333081811 268373644 /nfs/dbraw/zinc/37/36/44/268373644.db2.gz AVGNHBBJSVSBJB-MJGOQNOKSA-N 2 0 321.509 2.583 20 0 DFADRP C[C@@H](C[C@H]1CCCCC[NH2+]1)[NH2+][C@@H]1CCC(=O)N[C@H]1C(C)(C)C ZINC000333340067 268392710 /nfs/dbraw/zinc/39/27/10/268392710.db2.gz XXJAUKJHMQNUFE-KLZNWCGWSA-N 2 0 309.498 2.580 20 0 DFADRP C[C@@H](C[C@@H]1CCCCC[NH2+]1)[NH2+][C@@H]1CCC(=O)N[C@H]1C(C)(C)C ZINC000333340069 268392947 /nfs/dbraw/zinc/39/29/47/268392947.db2.gz XXJAUKJHMQNUFE-LJIGWXMPSA-N 2 0 309.498 2.580 20 0 DFADRP COCc1ccc(CNCc2ccc(-n3ccnc3C)nc2)o1 ZINC000125884551 425995304 /nfs/dbraw/zinc/99/53/04/425995304.db2.gz CRYYPSOZRQQBMC-UHFFFAOYSA-N 2 0 312.373 2.605 20 0 DFADRP CCCCNC(=O)[C@@H](C)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000103229505 425939552 /nfs/dbraw/zinc/93/95/52/425939552.db2.gz CGZGDBCKKFKCLC-QZTJIDSGSA-N 2 0 323.525 2.879 20 0 DFADRP CC[C@@H]1CCCCN1C(=O)[C@@H](C)N1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000158754930 425947296 /nfs/dbraw/zinc/94/72/96/425947296.db2.gz ZWEVVUCCPNSOPE-BRSBDYLESA-N 2 0 321.509 2.582 20 0 DFADRP CC1CC[NH+](CCCNC(=O)c2ccc(C[NH+](C)C)cc2)CC1 ZINC000069639744 425950404 /nfs/dbraw/zinc/95/04/04/425950404.db2.gz BLVUWHFLPYULNT-UHFFFAOYSA-N 2 0 317.477 2.600 20 0 DFADRP COc1cccc(O[C@H](C)C[NH2+][C@@H]2C[C@@H](C)[N@H+](C)C[C@H]2C)c1 ZINC000125095753 425952588 /nfs/dbraw/zinc/95/25/88/425952588.db2.gz QSQMYZLTHZCUTA-ATNYBXOESA-N 2 0 306.450 2.781 20 0 DFADRP CCCCC[C@H](C)NC(=O)C[N@@H+]1CC[C@H](C)[C@H](n2ccnc2)C1 ZINC000159019031 425952775 /nfs/dbraw/zinc/95/27/75/425952775.db2.gz RODPGHVHFJRGPR-YESZJQIVSA-N 2 0 320.481 2.851 20 0 DFADRP CCCNC(=O)[C@@H](C)[NH+]1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000159048516 425954358 /nfs/dbraw/zinc/95/43/58/425954358.db2.gz BDNWULBNMGSZNC-DLBZAZTESA-N 2 0 323.525 2.878 20 0 DFADRP CC(C)[C@H](C(=O)NC[C@H](c1cccs1)[NH+]1CCCC1)[NH+](C)C ZINC000106427514 425972793 /nfs/dbraw/zinc/97/27/93/425972793.db2.gz JTDBSBGBWPTACC-GDBMZVCRSA-N 2 0 323.506 2.587 20 0 DFADRP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]CC1CC[NH+](Cc2cccs2)CC1 ZINC000125478538 425974116 /nfs/dbraw/zinc/97/41/16/425974116.db2.gz MVWRECGOQNZWQC-QAPCUYQASA-N 3 0 321.534 2.890 20 0 DFADRP COc1cc(C)c(C[C@@H](C)[NH2+][C@H](C)CC[NH+](C)C)cc1OC ZINC000337380533 268484036 /nfs/dbraw/zinc/48/40/36/268484036.db2.gz IYTFJPOXKMHHRZ-HUUCEWRRSA-N 2 0 308.466 2.873 20 0 DFADRP CC(C)[NH+]1CCC(C(=O)N2CCC[C@@H]2C[NH+]2CCCCC2)CC1 ZINC000073327409 426025861 /nfs/dbraw/zinc/02/58/61/426025861.db2.gz IPWXLIXTXKZLFK-GOSISDBHSA-N 2 0 321.509 2.584 20 0 DFADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]CCc2ccc(C)nc2)[C@H](C)C1 ZINC000161571918 426030109 /nfs/dbraw/zinc/03/01/09/426030109.db2.gz RZCUGTWFNVEPQP-APWZRJJASA-N 2 0 319.493 2.659 20 0 DFADRP CC[C@@H]([NH2+]Cc1ccc(CN2CC[NH+](C)CC2)cc1)C(C)C ZINC000126716058 426033517 /nfs/dbraw/zinc/03/35/17/426033517.db2.gz QEQLRZHMNUMXCL-LJQANCHMSA-N 2 0 303.494 2.958 20 0 DFADRP CC(=O)NC1CCC([NH2+][C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)CC1 ZINC000161857036 426042425 /nfs/dbraw/zinc/04/24/25/426042425.db2.gz HNXSGCRFZLOQMR-VFPGXZCRSA-N 2 0 321.509 2.676 20 0 DFADRP CC1CC[NH+](C[C@H]2CCCN(CCC[NH+]3CCCC3)C2)CC1 ZINC000161903164 426045184 /nfs/dbraw/zinc/04/51/84/426045184.db2.gz NWVGAQCUKBAKOG-IBGZPJMESA-N 2 0 307.526 2.916 20 0 DFADRP CC(C)[NH+](CCCNC(=O)c1cccc(C[NH+](C)C)c1)C(C)C ZINC000074333703 426046479 /nfs/dbraw/zinc/04/64/79/426046479.db2.gz MVXQQKWNVXWKJM-UHFFFAOYSA-N 2 0 319.493 2.987 20 0 DFADRP C(CN1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1)C[NH+]1CCCCC1 ZINC000161984415 426048516 /nfs/dbraw/zinc/04/85/16/426048516.db2.gz KBXLNPIXIHCMAY-IEBWSBKVSA-N 2 0 305.510 2.811 20 0 DFADRP CC[C@@H]([NH2+]CCCN1CC[NH+](C)CC1)c1cc(F)ccc1F ZINC000162503362 426067573 /nfs/dbraw/zinc/06/75/73/426067573.db2.gz KUEXTZQLSJIPIB-QGZVFWFLSA-N 2 0 311.420 2.643 20 0 DFADRP CCc1ccc([C@H](CC)[NH2+]C[C@@H](C)N2CC[NH+](C)CC2)cc1 ZINC000127524635 426070288 /nfs/dbraw/zinc/07/02/88/426070288.db2.gz HBJFCARMPYEKNY-APWZRJJASA-N 2 0 303.494 2.926 20 0 DFADRP COc1ccc([C@H](C)[NH2+]CC2CC[NH+](C)CC2)cc1NC(C)=O ZINC000126342964 426015496 /nfs/dbraw/zinc/01/54/96/426015496.db2.gz NZORBKUTOYLKQT-ZDUSSCGKSA-N 2 0 319.449 2.646 20 0 DFADRP CC[N@@H+]1CC[C@@H](C[NH2+][C@@H](C)c2cccc(N3CCOC3=O)c2)C1 ZINC000163217644 426093927 /nfs/dbraw/zinc/09/39/27/426093927.db2.gz KRDWPMVUCBTEFO-GJZGRUSLSA-N 2 0 317.433 2.636 20 0 DFADRP C[C@@H](C[NH2+]CCN1CCC([NH+](C)C)CC1)c1ccc(F)cc1 ZINC000128015660 426097092 /nfs/dbraw/zinc/09/70/92/426097092.db2.gz NEXGBGRSSGODSG-HNNXBMFYSA-N 2 0 307.457 2.545 20 0 DFADRP C[N@H+](CCOCC1CC1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000076110085 426099860 /nfs/dbraw/zinc/09/98/60/426099860.db2.gz ISCGRSFEXRQRDB-LJQANCHMSA-N 2 0 302.462 2.867 20 0 DFADRP C[C@@H](C[NH+]1CCCCC1)NC(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000076129459 426101229 /nfs/dbraw/zinc/10/12/29/426101229.db2.gz WOEXDVZIDAPPBC-HNNXBMFYSA-N 2 0 318.465 2.744 20 0 DFADRP C[N@H+](C[C@H]1CC[NH+](Cc2ccccc2)C1)CC1CCOCC1 ZINC000076109625 426101461 /nfs/dbraw/zinc/10/14/61/426101461.db2.gz YEOODEKBJPCSJE-LJQANCHMSA-N 2 0 302.462 2.867 20 0 DFADRP COc1ccc([C@@H](C)[NH2+]CCCN2CCC[N@H+](C)CC2)c(F)c1 ZINC000128257293 426108738 /nfs/dbraw/zinc/10/87/38/426108738.db2.gz FNSDUYITTIJUIX-OAHLLOKOSA-N 2 0 323.456 2.513 20 0 DFADRP Cc1ccc(C)c([C@@H](C)[NH2+]CCCN2CCC[N@H+](C)CC2)c1 ZINC000128296411 426111489 /nfs/dbraw/zinc/11/14/89/426111489.db2.gz MKHJHYWJLVRPGO-GOSISDBHSA-N 2 0 303.494 2.982 20 0 DFADRP CC[C@@H](Cc1ccc(C)cc1)[NH2+]CCCN1CCC[N@H+](C)CC1 ZINC000128329099 426113344 /nfs/dbraw/zinc/11/33/44/426113344.db2.gz ZYOVGJHUYYBULC-FQEVSTJZSA-N 2 0 317.521 2.933 20 0 DFADRP C[NH2+]C[C@H](C)C(=O)Nc1ccc(C[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000164568139 426115011 /nfs/dbraw/zinc/11/50/11/426115011.db2.gz UAWUPDUFOXXLJP-GJZGRUSLSA-N 2 0 303.450 2.855 20 0 DFADRP C[NH2+]C[C@H](C)C(=O)Nc1ccc(C[N@@H+]2CCCC[C@H]2C)cc1 ZINC000164568022 426115720 /nfs/dbraw/zinc/11/57/20/426115720.db2.gz UAWUPDUFOXXLJP-LSDHHAIUSA-N 2 0 303.450 2.855 20 0 DFADRP C[C@@H](CNC(=O)CC[C@H]([NH3+])c1ccccc1)[N@@H+]1CCC[C@@H](C)C1 ZINC000164976493 426119410 /nfs/dbraw/zinc/11/94/10/426119410.db2.gz GMLJFRIBGDRPLY-RYRKJORJSA-N 2 0 317.477 2.703 20 0 DFADRP CC1CC[NH+](C[C@H]2CCCN(CC[NH+]3CCCCC3)C2)CC1 ZINC000077173390 426121710 /nfs/dbraw/zinc/12/17/10/426121710.db2.gz JGYFFKWWPDWDJV-IBGZPJMESA-N 2 0 307.526 2.916 20 0 DFADRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@@H](C)c1ccc(OC)cc1F ZINC000165941147 426124656 /nfs/dbraw/zinc/12/46/56/426124656.db2.gz QWXZGJSOBNCKMJ-DZGCQCFKSA-N 2 0 312.429 2.842 20 0 DFADRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@H](C)c1ccc(OC)cc1F ZINC000165941395 426124797 /nfs/dbraw/zinc/12/47/97/426124797.db2.gz QWXZGJSOBNCKMJ-UKRRQHHQSA-N 2 0 312.429 2.842 20 0 DFADRP CCO[C@@H](CC[NH+](C)C)C[NH2+][C@H](C)c1ccc(F)cc1F ZINC000165965852 426125030 /nfs/dbraw/zinc/12/50/30/426125030.db2.gz XDZKPFAWFGBEGC-OCCSQVGLSA-N 2 0 300.393 2.972 20 0 DFADRP Cc1ccc2c(c1)[C@H]([NH2+]CCCN1CC[NH+](C)CC1)CCC2 ZINC000166027409 426126423 /nfs/dbraw/zinc/12/64/23/426126423.db2.gz CBURLPAMFIYMPK-LJQANCHMSA-N 2 0 301.478 2.600 20 0 DFADRP CC[NH+](CC)[C@H](CNC(=O)[C@]1(CC)CCC[NH2+]1)c1ccccc1 ZINC000128688727 426129177 /nfs/dbraw/zinc/12/91/77/426129177.db2.gz PETJOLUBBVHKNB-MJGOQNOKSA-N 2 0 317.477 2.718 20 0 DFADRP CCC[C@@H]([NH3+])C(=O)Nc1ccc(OCC[NH+]2CCCC2)c(C)c1 ZINC000169090595 426136435 /nfs/dbraw/zinc/13/64/35/426136435.db2.gz PIZQGLDKLQSTNG-MRXNPFEDSA-N 2 0 319.449 2.536 20 0 DFADRP CC(C)[NH+]1CCC(NC(=O)C[N@@H+]2CCC[C@H]2C2CCCC2)CC1 ZINC000114455557 426136562 /nfs/dbraw/zinc/13/65/62/426136562.db2.gz UVSJVBZSXVMNOY-SFHVURJKSA-N 2 0 321.509 2.630 20 0 DFADRP C[C@H](C[NH2+][C@H](C)c1ccc(F)c(Cl)c1)N1CC[NH+](C)CC1 ZINC000127593923 426075796 /nfs/dbraw/zinc/07/57/96/426075796.db2.gz VCVPNXPGPBUDGI-CHWSQXEVSA-N 2 0 313.848 2.766 20 0 DFADRP C[C@@H]1C[C@H]([NH2+]CC2=CCCOC2)CC[N@@H+]1Cc1ccccc1 ZINC000127762524 426085118 /nfs/dbraw/zinc/08/51/18/426085118.db2.gz XAYKGQKMUMZFIY-VQIMIIECSA-N 2 0 300.446 2.976 20 0 DFADRP C[NH+](C)Cc1cccc(NC(=O)NCC[N@H+](C)C2CCCC2)c1 ZINC000171650487 426202521 /nfs/dbraw/zinc/20/25/21/426202521.db2.gz NSZBOMYSVNCXRZ-UHFFFAOYSA-N 2 0 318.465 2.744 20 0 DFADRP C[N@@H+]1CCCC[C@H]1CC[NH+]1CCC[C@@](CO)(c2ccccc2)C1 ZINC000338328382 268659468 /nfs/dbraw/zinc/65/94/68/268659468.db2.gz RSJFZJULJHHGEI-VQTJNVASSA-N 2 0 316.489 2.887 20 0 DFADRP CC[N@H+](Cc1ccc(C(=O)N2CC[C@@H]([NH+](C)C)C2)cc1)C(C)C ZINC000170868182 426156332 /nfs/dbraw/zinc/15/63/32/426156332.db2.gz FFUIWSQQDRKFAL-GOSISDBHSA-N 2 0 317.477 2.693 20 0 DFADRP CC(C)OC(=O)c1ccc(CN2CC[C@H](C[NH+](C)C)C2)cc1 ZINC000135079023 426205549 /nfs/dbraw/zinc/20/55/49/426205549.db2.gz SVDQFAVIIZCJKL-MRXNPFEDSA-N 2 0 304.434 2.635 20 0 DFADRP CC(C)[C@@H](C[NH2+][C@H]1CCc2cc(F)ccc21)N1CC[NH+](C)CC1 ZINC000132391040 426169924 /nfs/dbraw/zinc/16/99/24/426169924.db2.gz WCEHYOWHYGYLFH-RBUKOAKNSA-N 2 0 319.468 2.675 20 0 DFADRP C[C@@H]([NH2+]C[C@H](C)C[NH+]1CCCC1)c1ccc2c(c1)OCCO2 ZINC000171141588 426172184 /nfs/dbraw/zinc/17/21/84/426172184.db2.gz SHOFFSCWZBEKDW-LSDHHAIUSA-N 2 0 304.434 2.840 20 0 DFADRP CC[C@@]1(C(=O)NC[C@@H](c2cccs2)[NH+]2CCCC2)CCC[NH2+]1 ZINC000134554054 426187844 /nfs/dbraw/zinc/18/78/44/426187844.db2.gz NTAXGCWTAUBIPH-YOEHRIQHSA-N 2 0 321.490 2.533 20 0 DFADRP CC[N@@H+]1CC[C@H]([NH+](C)CCc2ccc3c(c2)CCO3)[C@H](C)C1 ZINC000079461950 426193443 /nfs/dbraw/zinc/19/34/43/426193443.db2.gz HIQJSEDGURJEEI-QAPCUYQASA-N 2 0 302.462 2.826 20 0 DFADRP O[C@H](C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1)c1ccccc1 ZINC000134899860 426199560 /nfs/dbraw/zinc/19/95/60/426199560.db2.gz LVKRIKHFMKWDBV-BHIYHBOVSA-N 2 0 300.446 2.669 20 0 DFADRP CCC[C@@H](C(=O)NCc1cccc(C[NH+](CC)CC)c1)[NH+](C)C ZINC000136572905 426242343 /nfs/dbraw/zinc/24/23/43/426242343.db2.gz YDFUUXSWNCUNEO-SFHVURJKSA-N 2 0 319.493 2.875 20 0 DFADRP C[C@H](C(=O)NCc1ccccc1C[NH+](C)C)[NH+]1CCCCCC1 ZINC000175027751 426274383 /nfs/dbraw/zinc/27/43/83/426274383.db2.gz XJUJRPKIVPOTLY-MRXNPFEDSA-N 2 0 317.477 2.629 20 0 DFADRP CC[C@@H]1CCCCC[N@@H+]1CC(=O)NC1CC[NH+](C(C)C)CC1 ZINC000150743602 426260823 /nfs/dbraw/zinc/26/08/23/426260823.db2.gz JIHQOEACRYYCBT-QGZVFWFLSA-N 2 0 309.498 2.630 20 0 DFADRP C[C@@H]1C[N@H+](C)CC[C@@H]1NC[C@@H]1CCC[NH+]1Cc1ccccc1 ZINC000119114677 426264312 /nfs/dbraw/zinc/26/43/12/426264312.db2.gz YNMRYZJUIQADCK-NEWSRXKRSA-N 2 0 301.478 2.581 20 0 DFADRP CC[N@@H+]1CC[C@@H](N(C)CC(=O)Nc2ccc(C)c(C)c2)[C@H](C)C1 ZINC000174781107 426265548 /nfs/dbraw/zinc/26/55/48/426265548.db2.gz XTWPWJDSYPTRCF-SJLPKXTDSA-N 2 0 317.477 2.904 20 0 DFADRP Cc1ccccc1C[N@H+]1CCCC[C@H](N2CCN(C)CC2)C1 ZINC000174902271 426267732 /nfs/dbraw/zinc/26/77/32/426267732.db2.gz ZBTCRCOUFQDRTI-IBGZPJMESA-N 2 0 301.478 2.597 20 0 DFADRP Cc1cccc([C@H](C)[NH2+]C2CCN(CC[NH+](C)C)CC2)c1C ZINC000150955489 426269505 /nfs/dbraw/zinc/26/95/05/426269505.db2.gz BEUVTZVSLSJVNI-KRWDZBQOSA-N 2 0 303.494 2.980 20 0 DFADRP CCC[N@H+](C)C[C@H]1CCN(Cc2cccc(C(=O)N(C)C)c2)C1 ZINC000174953382 426270794 /nfs/dbraw/zinc/27/07/94/426270794.db2.gz MTTXZMZNBOQHNP-QGZVFWFLSA-N 2 0 317.477 2.552 20 0 DFADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]Cc1ccccc1Cn1cccn1 ZINC000119251831 426272063 /nfs/dbraw/zinc/27/20/63/426272063.db2.gz HKHQSYMSJARPNQ-GPMSIDNRSA-N 2 0 312.461 2.750 20 0 DFADRP CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1ccc(-n2ccnc2)cc1 ZINC000174984665 426272933 /nfs/dbraw/zinc/27/29/33/426272933.db2.gz UWOIIJXWDCUDNI-FUHWJXTLSA-N 2 0 324.428 2.571 20 0 DFADRP C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)C[C@H]([NH3+])c2ccccc2)C1 ZINC000119566215 426297337 /nfs/dbraw/zinc/29/73/37/426297337.db2.gz OABYRMVKAHSGPY-WBVHZDCISA-N 2 0 317.477 2.703 20 0 DFADRP COc1ccc(C[N@H+](CC2CC[NH2+]CC2)[C@@H](CO)C(C)C)cc1 ZINC000339431098 268813525 /nfs/dbraw/zinc/81/35/25/268813525.db2.gz HXUFNHUABCNOMZ-IBGZPJMESA-N 2 0 320.477 2.514 20 0 DFADRP CCc1ccc([C@H](C)[NH2+]C[C@H](C)CN2CC[NH+](C)CC2)cc1 ZINC000120822777 426316787 /nfs/dbraw/zinc/31/67/87/426316787.db2.gz XILVBVDDVNMEMY-IRXDYDNUSA-N 2 0 303.494 2.783 20 0 DFADRP CN(C)[C@@H](C[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCC2)Cc1ccccc1 ZINC000120935975 426317231 /nfs/dbraw/zinc/31/72/31/426317231.db2.gz VCIYBVHCFWWHEE-HCXYKTFWSA-N 2 0 314.473 2.707 20 0 DFADRP Cc1ccc(C[C@@H]([NH2+]CC2CC[NH+](CCO)CC2)C2CC2)cc1 ZINC000151894824 426317335 /nfs/dbraw/zinc/31/73/35/426317335.db2.gz SEWWJTFFKGLMEH-HXUWFJFHSA-N 2 0 316.489 2.610 20 0 DFADRP C[C@H](O)C[NH+]1CCC(C[N@H+](C)Cc2cnc(C3CC3)s2)CC1 ZINC000121150793 426322261 /nfs/dbraw/zinc/32/22/61/426322261.db2.gz BZXJZUJJTRAZIG-ZDUSSCGKSA-N 2 0 323.506 2.545 20 0 DFADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]C[C@H](O)c1ccc(Cl)c(F)c1 ZINC000090936171 426332975 /nfs/dbraw/zinc/33/29/75/426332975.db2.gz XNHRWXMRJZXOPD-WVATUKLVSA-N 2 0 314.832 2.831 20 0 DFADRP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@H](C)c2ccc(F)cc2)CC1 ZINC000121347320 426336024 /nfs/dbraw/zinc/33/60/24/426336024.db2.gz WJWXBQPTZMQHHN-HZPDHXFCSA-N 2 0 307.457 2.750 20 0 DFADRP Cc1cc2ncn(C[C@@H](O)C[N@@H+]3CCC4(CCC4)C3)c2cc1C ZINC000122863076 426398280 /nfs/dbraw/zinc/39/82/80/426398280.db2.gz MJXLQGUZFAMTMU-INIZCTEOSA-N 2 0 313.445 2.890 20 0 DFADRP Cc1c(Cl)cccc1NC(=O)CC[NH2+][C@H]1CC[N@@H+](C)C[C@@H]1C ZINC000152655411 426349220 /nfs/dbraw/zinc/34/92/20/426349220.db2.gz DREWNZNICYQTSZ-WFASDCNBSA-N 2 0 323.868 2.907 20 0 DFADRP CCC[N@@H+](CC(=O)NC[C@H](c1ccccc1)[NH+](C)C)CC1CC1 ZINC000176112793 426352432 /nfs/dbraw/zinc/35/24/32/426352432.db2.gz VGHOUVBXQGFBSZ-GOSISDBHSA-N 2 0 317.477 2.528 20 0 DFADRP CC(C)[N@H+](C)CCNC(=O)Nc1cccc(-c2nccn2C)c1 ZINC000176108025 426352940 /nfs/dbraw/zinc/35/29/40/426352940.db2.gz FAHRZWOFERWLHH-UHFFFAOYSA-N 2 0 315.421 2.549 20 0 DFADRP O=C(NCCC[NH+]1CCCCC1)C1CC[NH+](C2CCCC2)CC1 ZINC000093204312 426353908 /nfs/dbraw/zinc/35/39/08/426353908.db2.gz KPXMAAURYMTIMA-UHFFFAOYSA-N 2 0 321.509 2.633 20 0 DFADRP C[C@@H]([NH2+]Cc1ccccc1OCC[NH+](C)C)C1CCOCC1 ZINC000122408795 426374088 /nfs/dbraw/zinc/37/40/88/426374088.db2.gz SLUMRGJAZXVKQP-OAHLLOKOSA-N 2 0 306.450 2.532 20 0 DFADRP CCC[NH+]1CCC(C[NH2+]C2CCN(CC(F)(F)F)CC2)CC1 ZINC000122663842 426387804 /nfs/dbraw/zinc/38/78/04/426387804.db2.gz KOAGOSPVZNPWOF-UHFFFAOYSA-N 2 0 321.431 2.725 20 0 DFADRP CC(C)CSCCC[N@@H+]1CCC[C@@H](CN2CCOCC2)C1 ZINC000153521392 426389863 /nfs/dbraw/zinc/38/98/63/426389863.db2.gz XDBNWYAPTDCQJQ-QGZVFWFLSA-N 2 0 314.539 2.810 20 0 DFADRP CCC[NH+]1CCC([NH2+][C@H](C)c2ccc(NC(N)=O)cc2)CC1 ZINC000123018493 426408986 /nfs/dbraw/zinc/40/89/86/426408986.db2.gz WLICBJHOLIPOQA-CYBMUJFWSA-N 2 0 304.438 2.702 20 0 DFADRP CC[C@@H](C[NH2+][C@@H](COC)C1CC1)N1CCc2ccccc2C1 ZINC000123139311 426415899 /nfs/dbraw/zinc/41/58/99/426415899.db2.gz UBRXXFCQYAFAGS-OALUTQOASA-N 2 0 302.462 2.838 20 0 DFADRP C[NH+](C)CCCN(CCC[NH+](C)C)c1nc2ccccc2o1 ZINC000176819836 426417024 /nfs/dbraw/zinc/41/70/24/426417024.db2.gz VNAYAMAJCSXBQC-UHFFFAOYSA-N 2 0 304.438 2.538 20 0 DFADRP COC(C)(C)[C@H](C)[NH2+]Cc1ccccc1C[N@@H+]1CCC[C@H]1CO ZINC000340353139 268968578 /nfs/dbraw/zinc/96/85/78/268968578.db2.gz YUECMLOAYXJVHZ-YJBOKZPZSA-N 2 0 320.477 2.546 20 0 DFADRP COCCOc1ccc(C[NH2+][C@H]2C[C@@H](C)[N@H+](C)C[C@H]2C)cc1 ZINC000154074722 426423241 /nfs/dbraw/zinc/42/32/41/426423241.db2.gz KJCXSWGOAPGEMO-RKVPGOIHSA-N 2 0 306.450 2.530 20 0 DFADRP COCCOc1ccc(C[NH2+][C@@H]2C[C@H](C)[N@H+](C)C[C@H]2C)cc1 ZINC000154075011 426423568 /nfs/dbraw/zinc/42/35/68/426423568.db2.gz KJCXSWGOAPGEMO-RVKKMQEKSA-N 2 0 306.450 2.530 20 0 DFADRP CC[NH+]1CCN(CCC[NH2+][C@@H](C)c2cc(C)cc(C)c2)CC1 ZINC000154216720 426430230 /nfs/dbraw/zinc/43/02/30/426430230.db2.gz ABFVLCPDWXGEOL-SFHVURJKSA-N 2 0 303.494 2.982 20 0 DFADRP CC(C)c1ccc(CC[NH2+]CCN2CCC([NH+](C)C)CC2)cc1 ZINC000123452555 426434139 /nfs/dbraw/zinc/43/41/39/426434139.db2.gz QXAKNBVEAGQQHD-UHFFFAOYSA-N 2 0 317.521 2.968 20 0 DFADRP CC(C)[C@@H](CCO)[NH2+][C@H](C)c1ccc(OCC[NH+](C)C)cc1 ZINC000123513319 426438424 /nfs/dbraw/zinc/43/84/24/426438424.db2.gz JWLWOLTZGCPRIP-CRAIPNDOSA-N 2 0 308.466 2.685 20 0 DFADRP CC(C)[C@@H](CCO)[NH2+][C@@H](C)c1ccc(OCC[NH+](C)C)cc1 ZINC000123512863 426438445 /nfs/dbraw/zinc/43/84/45/426438445.db2.gz JWLWOLTZGCPRIP-MAUKXSAKSA-N 2 0 308.466 2.685 20 0 DFADRP C[NH+](C)CCCC1CC[NH+](Cc2cnc3ccccn23)CC1 ZINC000123593896 426442350 /nfs/dbraw/zinc/44/23/50/426442350.db2.gz KFRNSJPHUXFEGR-UHFFFAOYSA-N 2 0 300.450 2.888 20 0 DFADRP CCN1CC[NH+](CCCC[NH2+][C@H](C)c2ccccc2OC)CC1 ZINC000154480212 426442662 /nfs/dbraw/zinc/44/26/62/426442662.db2.gz YWBFSOGFGPZZNB-QGZVFWFLSA-N 2 0 319.493 2.764 20 0 DFADRP C[C@]1(C[N@H+](CCCO)[C@H]2CCCc3ccccc32)CC[NH2+]C1 ZINC000340700970 269001357 /nfs/dbraw/zinc/00/13/57/269001357.db2.gz KDRYUINXRNNZPK-OALUTQOASA-N 2 0 302.462 2.748 20 0 DFADRP C[C@@]1(C[N@@H+]2CC[C@H](OCCCc3ccccc3)C2)CC[NH2+]C1 ZINC000340706158 269002258 /nfs/dbraw/zinc/00/22/58/269002258.db2.gz GFSPNZXDDUEVOI-RBUKOAKNSA-N 2 0 302.462 2.710 20 0 DFADRP C[N@H+](CCCc1cc(-c2ccccc2)n[nH]1)C[C@@]1(C)CC[NH2+]C1 ZINC000340712827 269002990 /nfs/dbraw/zinc/00/29/90/269002990.db2.gz SWQJMBCGSDNVEB-IBGZPJMESA-N 2 0 312.461 2.941 20 0 DFADRP COCC[N@H+](C)CCC[NH2+][C@@H]1CCCc2cc(OC)ccc21 ZINC000153783224 426406935 /nfs/dbraw/zinc/40/69/35/426406935.db2.gz VZRMKQZAFMHHCR-GOSISDBHSA-N 2 0 306.450 2.631 20 0 DFADRP CC[C@@H]([NH2+]C1CCN(CCOC)CC1)c1ccc2c(c1)CCO2 ZINC000154835773 426457085 /nfs/dbraw/zinc/45/70/85/426457085.db2.gz BEDIOYHEDDSWJD-GOSISDBHSA-N 2 0 318.461 2.773 20 0 DFADRP C[C@@H](CN1CC[NH+](C)CC1)[NH2+][C@@H](C)c1ccc(Cl)s1 ZINC000154938719 426459729 /nfs/dbraw/zinc/45/97/29/426459729.db2.gz DXTZYCMRTJOCFI-RYUDHWBXSA-N 2 0 301.887 2.688 20 0 DFADRP C[C@H]([NH2+]Cc1c(Cl)cccc1N1CC[NH+](C)CC1)C1CC1 ZINC000177388001 426475474 /nfs/dbraw/zinc/47/54/74/426475474.db2.gz FTZSBCYXPMAXFH-ZDUSSCGKSA-N 2 0 307.869 2.980 20 0 DFADRP C[C@H]1C[C@@H]([NH2+]C2CCC(C(=O)OC(C)(C)C)CC2)CCN1C ZINC000124265869 426477500 /nfs/dbraw/zinc/47/75/00/426477500.db2.gz CPJWZOFVTKKBQC-LBDPXKHJSA-N 2 0 310.482 2.959 20 0 DFADRP C[C@H]([NH2+]C[C@H]1CC[N@@H+](C2CC2)C1)c1ccc2c(c1)OCCO2 ZINC000124377551 426482790 /nfs/dbraw/zinc/48/27/90/426482790.db2.gz XGPWJWRIEFMLSM-UONOGXRCSA-N 2 0 302.418 2.593 20 0 DFADRP CCOC(=O)N1CC[C@@H]([NH2+]C2CC[NH+](C3CCCCC3)CC2)C1 ZINC000186445605 426528740 /nfs/dbraw/zinc/52/87/40/426528740.db2.gz COOSGEMRNPQKOY-MRXNPFEDSA-N 2 0 323.481 2.604 20 0 DFADRP CC(C)OCCC[N@H+]1C[C@@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000280258432 426533629 /nfs/dbraw/zinc/53/36/29/426533629.db2.gz CGHPCNVVEFVLMP-KDURUIRLSA-N 2 0 302.462 2.865 20 0 DFADRP OCc1ccc(C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)cc1 ZINC000272498599 426540322 /nfs/dbraw/zinc/54/03/22/426540322.db2.gz NQXOYQPRFCTPEZ-IEBWSBKVSA-N 2 0 300.446 2.628 20 0 DFADRP CCO[C@H]1C[C@@H]([NH2+]CC2(C[NH+](C)C)CCCC2)C12CCOCC2 ZINC000186505250 426541366 /nfs/dbraw/zinc/54/13/66/426541366.db2.gz QYTXOOILGDWQHA-SJORKVTESA-N 2 0 324.509 2.672 20 0 DFADRP CC[N@H+](Cc1ccc(C(=O)N2C[C@@H](C)[NH2+]C[C@H]2C)cc1)C(C)C ZINC000272511199 426544801 /nfs/dbraw/zinc/54/48/01/426544801.db2.gz GHDHFBZUBDPYHB-HZPDHXFCSA-N 2 0 317.477 2.739 20 0 DFADRP C[C@@H](CC(=O)Nc1ccccc1)[NH2+]CC1(C)CC[NH+](C)CC1 ZINC000272515633 426545325 /nfs/dbraw/zinc/54/53/25/426545325.db2.gz IFXAFUGMHDRNRV-HNNXBMFYSA-N 2 0 303.450 2.725 20 0 DFADRP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@H](C)c1ccc2ccccc2n1 ZINC000177969583 426546837 /nfs/dbraw/zinc/54/68/37/426546837.db2.gz CSIZONKPOHIKJY-HZPDHXFCSA-N 2 0 312.461 2.521 20 0 DFADRP Cc1cccc([C@@H](C)[NH2+][C@H](C)CCN2CC[NH+](C)CC2)c1C ZINC000186563573 426552302 /nfs/dbraw/zinc/55/23/02/426552302.db2.gz IVDWFWIQXMQUKQ-SJLPKXTDSA-N 2 0 303.494 2.980 20 0 DFADRP CC[C@@H]([NH2+][C@H](C)CCN1CC[NH+](C)CC1)c1ccc(OC)cc1 ZINC000186567997 426553314 /nfs/dbraw/zinc/55/33/14/426553314.db2.gz JUMJRUQGQXXFHM-VQIMIIECSA-N 2 0 319.493 2.762 20 0 DFADRP CSCCC[NH+]1CCC(CC[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000177510424 426490657 /nfs/dbraw/zinc/49/06/57/426490657.db2.gz SMZWURPQUHOZJA-HOTGVXAUSA-N 2 0 314.539 2.951 20 0 DFADRP Cn1ncc2c1CCC[C@H]2[NH2+]C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000195138593 426501785 /nfs/dbraw/zinc/50/17/85/426501785.db2.gz HVCBCXRSRLBUMO-IEBWSBKVSA-N 2 0 324.472 2.909 20 0 DFADRP Cn1ncc2c1CCC[C@@H]2[NH2+]C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000195138604 426502281 /nfs/dbraw/zinc/50/22/81/426502281.db2.gz HVCBCXRSRLBUMO-MJGOQNOKSA-N 2 0 324.472 2.909 20 0 DFADRP C[C@H]([NH2+][C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21)c1cn[nH]c1 ZINC000272602687 426569606 /nfs/dbraw/zinc/56/96/06/426569606.db2.gz URUICGMQZVVDJR-OYSPMZIOSA-N 2 0 310.445 2.971 20 0 DFADRP CC(C)[C@@](C)(O)C[NH2+][C@@H](C)c1ccc(OCC[NH+](C)C)cc1 ZINC000178114349 426573626 /nfs/dbraw/zinc/57/36/26/426573626.db2.gz CUDYHRCJGYGUDJ-YJBOKZPZSA-N 2 0 308.466 2.685 20 0 DFADRP CC[NH+](CC)CCOCC[N@H+](CCCCO)Cc1ccccc1 ZINC000273056605 426583412 /nfs/dbraw/zinc/58/34/12/426583412.db2.gz LMQKUTPXYMFTOY-UHFFFAOYSA-N 2 0 322.493 2.620 20 0 DFADRP Cc1ccccc1[C@H](C)[NH2+]Cc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000178327820 426606073 /nfs/dbraw/zinc/60/60/73/426606073.db2.gz DZVITSINTWYRRO-KRWDZBQOSA-N 2 0 324.472 2.993 20 0 DFADRP COCCOc1ccc(C[N@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3C)cc1 ZINC000289270377 426617848 /nfs/dbraw/zinc/61/78/48/426617848.db2.gz GHHNSVMXOXAXSM-JWTNVVGKSA-N 2 0 318.461 2.769 20 0 DFADRP [NH3+]C[C@H]1CCC[C@@H]1[NH2+]CCc1ccc(Br)s1 ZINC000226373056 426619844 /nfs/dbraw/zinc/61/98/44/426619844.db2.gz HPNPMGYHCOGBNM-KOLCDFICSA-N 2 0 303.269 2.770 20 0 DFADRP CC(C)c1nc([C@@H](C)[NH2+][C@H](C)CCN2CC[NH+](C)CC2)cs1 ZINC000186583124 426556957 /nfs/dbraw/zinc/55/69/57/426556957.db2.gz LUCDOTSUPAFRKY-HUUCEWRRSA-N 2 0 324.538 2.943 20 0 DFADRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+][C@H]1CCSc2ccccc21 ZINC000186602069 426561605 /nfs/dbraw/zinc/56/16/05/426561605.db2.gz IEXFYSLNGZAGOI-WBVHZDCISA-N 2 0 319.518 2.839 20 0 DFADRP CC(C)C(=O)Nc1ccc(C[NH2+][C@H]2CC[N@H+](C)[C@@H](C)C2)cc1 ZINC000178477970 426637437 /nfs/dbraw/zinc/63/74/37/426637437.db2.gz HJLJIAXDPDAXIR-YOEHRIQHSA-N 2 0 303.450 2.853 20 0 DFADRP COc1ccc2c(c1F)CC[C@H]2[NH2+]C[C@H]1CC[N@@H+](C2CC2)C1 ZINC000289365972 426638753 /nfs/dbraw/zinc/63/87/53/426638753.db2.gz ZRWHGRQXYXBOPY-MLGOLLRUSA-N 2 0 304.409 2.896 20 0 DFADRP CCC[N@@H+]1CC[C@H](C[NH2+][C@@H](C)c2ccc([S@](C)=O)cc2)C1 ZINC000178511066 426644972 /nfs/dbraw/zinc/64/49/72/426644972.db2.gz HXBYOIBAEXOJHZ-ZSDSOXJFSA-N 2 0 308.491 2.807 20 0 DFADRP C[C@]1(C[NH3+])CCN(Cc2ccc(F)cc2Br)C1 ZINC000235708501 426660233 /nfs/dbraw/zinc/66/02/33/426660233.db2.gz ZQGWWSPFQVGVBY-CYBMUJFWSA-N 2 0 301.203 2.759 20 0 DFADRP C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H](C)[N@H+]1CCCn1ccnc1 ZINC000187452952 426663155 /nfs/dbraw/zinc/66/31/55/426663155.db2.gz MZMYPCKCLDNQTE-GASCZTMLSA-N 2 0 322.453 2.603 20 0 DFADRP C[C@@H]([NH2+]CC1CC[NH+](Cc2ccccc2)CC1)c1cnn(C)c1 ZINC000178635024 426667514 /nfs/dbraw/zinc/66/75/14/426667514.db2.gz STKANVGQGYRLQM-MRXNPFEDSA-N 2 0 312.461 2.983 20 0 DFADRP C[C@H](CNC(=O)[C@@H](C)[C@@H]([NH3+])c1ccccc1)[NH+]1CCC(C)CC1 ZINC000236723747 426679826 /nfs/dbraw/zinc/67/98/26/426679826.db2.gz FSLMCLLMOKPMIM-SOLBZPMBSA-N 2 0 317.477 2.559 20 0 DFADRP CC(C)C[C@H]([NH3+])C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000236724108 426680024 /nfs/dbraw/zinc/68/00/24/426680024.db2.gz DDLUMGJIEHVIOV-JQHSSLGASA-N 2 0 317.477 2.529 20 0 DFADRP Cc1ccncc1CCC[N@@H+](C)[C@@H]1CCCC[C@H]1S(C)(=O)=O ZINC000290049835 426681453 /nfs/dbraw/zinc/68/14/53/426681453.db2.gz OPNGRFMERKHQFN-IAGOWNOFSA-N 2 0 324.490 2.610 20 0 DFADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H]([NH3+])c1ccc(C(C)C)cc1 ZINC000236764580 426684192 /nfs/dbraw/zinc/68/41/92/426684192.db2.gz MRDFOSOAYWUGIT-QZTJIDSGSA-N 2 0 317.477 2.800 20 0 DFADRP CCCC[NH+]1CCC(NC(=O)[C@@H](C)[C@H]([NH3+])c2ccccc2)CC1 ZINC000236757999 426685131 /nfs/dbraw/zinc/68/51/31/426685131.db2.gz OCGWGRDSGLABOX-YJBOKZPZSA-N 2 0 317.477 2.703 20 0 DFADRP COCCOc1ccc([C@@H](C)[NH2+]CCC[NH+]2CCCC2)cc1 ZINC000178412568 426624459 /nfs/dbraw/zinc/62/44/59/426624459.db2.gz MXKIBJJDBBYKNC-MRXNPFEDSA-N 2 0 306.450 2.848 20 0 DFADRP CC[C@@H]([NH2+]CCC[NH+]1CCCC1)c1ccc2c(c1)OCCO2 ZINC000178412611 426624724 /nfs/dbraw/zinc/62/47/24/426624724.db2.gz DWUWRXUGXIDGCG-MRXNPFEDSA-N 2 0 304.434 2.984 20 0 DFADRP FC(F)(F)SCC[NH2+]C1CCN(Cc2ccncc2)CC1 ZINC000178417787 426626860 /nfs/dbraw/zinc/62/68/60/426626860.db2.gz QAUIWPKLXUNPHR-UHFFFAOYSA-N 2 0 319.396 2.889 20 0 DFADRP O=C(Nc1cccc(C[NH+]2CCCCC2)c1)[C@H]1CCCC[NH2+]1 ZINC000238061945 426707453 /nfs/dbraw/zinc/70/74/53/426707453.db2.gz MYWDNWYQFTVVJL-QGZVFWFLSA-N 2 0 301.434 2.753 20 0 DFADRP Cc1ccc(F)c(CN2CCN(c3ccnc(C)n3)CC2)c1 ZINC000273691394 426710284 /nfs/dbraw/zinc/71/02/84/426710284.db2.gz BKGCKZJBJMRLSF-UHFFFAOYSA-N 2 0 300.381 2.555 20 0 DFADRP C[N@H+](C[C@H](O)C(C)(C)C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000290192392 426714840 /nfs/dbraw/zinc/71/48/40/426714840.db2.gz GASRYCWVAYZLMQ-ROUUACIJSA-N 2 0 304.478 2.847 20 0 DFADRP CC[C@H]([NH2+]C[C@H](C)N1CC[NH+](CC)CC1)c1cccc(F)c1 ZINC000187770741 426693364 /nfs/dbraw/zinc/69/33/64/426693364.db2.gz YHPAVXKZFISPNV-YJBOKZPZSA-N 2 0 307.457 2.892 20 0 DFADRP C[C@]1(C(=O)NC[C@H](c2cccs2)[NH+]2CCCC2)CCCC[NH2+]1 ZINC000237560510 426694243 /nfs/dbraw/zinc/69/42/43/426694243.db2.gz XTXAIKKUUDMSQC-RHSMWYFYSA-N 2 0 321.490 2.533 20 0 DFADRP C[C@H]([NH2+][C@@H](CO)C1CCCC1)c1ccc(OCC[NH+](C)C)cc1 ZINC000290112139 426695563 /nfs/dbraw/zinc/69/55/63/426695563.db2.gz ITNOWVALWQYDJI-KXBFYZLASA-N 2 0 320.477 2.829 20 0 DFADRP [NH3+]C1(C(=O)Nc2cccc(C[NH+]3CCCCC3)c2)CCCC1 ZINC000237965487 426698231 /nfs/dbraw/zinc/69/82/31/426698231.db2.gz YRFVCKIOELZWPQ-UHFFFAOYSA-N 2 0 301.434 2.883 20 0 DFADRP CCO[C@@H](CC[NH+](C)C)C[NH2+][C@H]1CCc2cc(F)c(OC)cc21 ZINC000281815792 426771052 /nfs/dbraw/zinc/77/10/52/426771052.db2.gz ZFZYSMBZQBCTAN-YOEHRIQHSA-N 2 0 324.440 2.768 20 0 DFADRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@@H](c1cncc(F)c1)C1CC1 ZINC000281817807 426772091 /nfs/dbraw/zinc/77/20/91/426772091.db2.gz ZKFSVHSXBFUUBW-IAGOWNOFSA-N 2 0 309.429 2.618 20 0 DFADRP Cc1nccn1CCCC[N@@H+](C)C[C@@H]1COc2ccccc2O1 ZINC000179264361 426773495 /nfs/dbraw/zinc/77/34/95/426773495.db2.gz SBNSTYMOYDUXSN-MRXNPFEDSA-N 2 0 315.417 2.744 20 0 DFADRP CC[C@@H]([NH2+]Cc1ccc(C(=O)NCC[NH+](C)C)cc1)C(C)(C)C ZINC000290246366 426724912 /nfs/dbraw/zinc/72/49/12/426724912.db2.gz JODXNVVMXKQTOG-QGZVFWFLSA-N 2 0 319.493 2.892 20 0 DFADRP O=C(c1ccc(F)cc1)[C@@H]1CCC[N@H+](CC2CC[NH2+]CC2)C1 ZINC000178974661 426730374 /nfs/dbraw/zinc/73/03/74/426730374.db2.gz PTKGIGJXNCVWGS-MRXNPFEDSA-N 2 0 304.409 2.720 20 0 DFADRP Cn1cncc1C[NH2+][C@H]1c2ccccc2CC[C@@H]1n1ccnc1 ZINC000290419942 426759615 /nfs/dbraw/zinc/75/96/15/426759615.db2.gz KQCFEOARTKRSOL-ROUUACIJSA-N 2 0 307.401 2.635 20 0 DFADRP Cn1nccc1C[NH2+][C@@H]1c2ccccc2CC[C@H]1n1ccnc1 ZINC000290416199 426760221 /nfs/dbraw/zinc/76/02/21/426760221.db2.gz KIVSTDZDVOTCCF-QZTJIDSGSA-N 2 0 307.401 2.635 20 0 DFADRP Cc1ccc(C[NH+](C)C)cc1NC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2[NH2+]1 ZINC000246165187 426804891 /nfs/dbraw/zinc/80/48/91/426804891.db2.gz AQGHLZZXSGASOA-JZXOWHBKSA-N 2 0 315.461 2.916 20 0 DFADRP CC(C)N(C)c1ccc(C[N@H+](C)CCCn2ccnc2)cn1 ZINC000290626930 426806182 /nfs/dbraw/zinc/80/61/82/426806182.db2.gz XOSICRXABYYDCO-UHFFFAOYSA-N 2 0 301.438 2.645 20 0 DFADRP C[N@H+](CCCn1ccnc1)Cc1cccc2c1OCCCO2 ZINC000290624840 426807600 /nfs/dbraw/zinc/80/76/00/426807600.db2.gz XNCIIBCSSPYLAI-UHFFFAOYSA-N 2 0 301.390 2.567 20 0 DFADRP C[C@H]1CCC[N@H+](Cc2ccc(NC(=O)[C@H]3CCC[NH2+]C3)cc2)C1 ZINC000246242352 426813072 /nfs/dbraw/zinc/81/30/72/426813072.db2.gz IWPKRASTKNEBTJ-RDJZCZTQSA-N 2 0 315.461 2.857 20 0 DFADRP OCC[NH+]1CCC(C[NH2+][C@H]2CC[C@H](Cc3ccccc3)C2)CC1 ZINC000189165380 426826942 /nfs/dbraw/zinc/82/69/42/426826942.db2.gz BYTNYEQJAFBHQY-UXHICEINSA-N 2 0 316.489 2.692 20 0 DFADRP Cc1cc([C@H](C)[NH2+]CC2CCN(c3cc[nH+]cc3)CC2)no1 ZINC000290733298 426828204 /nfs/dbraw/zinc/82/82/04/426828204.db2.gz PNCYTAQFZDSQOI-AWEZNQCLSA-N 2 0 300.406 2.945 20 0 DFADRP CC[NH+]1CCN([C@@H]2CC[N@H+](CC(C)(C)c3ccccc3)C2)CC1 ZINC000180069037 426834090 /nfs/dbraw/zinc/83/40/90/426834090.db2.gz ZQZKWPPQOVLXGA-LJQANCHMSA-N 2 0 315.505 2.676 20 0 DFADRP Cc1ccc2c(c1)[C@@H]([NH2+]C[C@H](O)C[NH+]1CCCCC1)[C@H](C)C2 ZINC000180211260 426843520 /nfs/dbraw/zinc/84/35/20/426843520.db2.gz WQWNLADBUPLRFU-AYBZRNKSSA-N 2 0 302.462 2.665 20 0 DFADRP CC[NH+]1CCC(NC[C@@H](C2CC2)[N@H+](C)Cc2ccccc2)CC1 ZINC000274824316 426845115 /nfs/dbraw/zinc/84/51/15/426845115.db2.gz ZFEXLEFKCFGZRF-FQEVSTJZSA-N 2 0 315.505 2.971 20 0 DFADRP C[C@H](c1ccc(-n2cncn2)cc1)[N@H+](C)CC[C@H]1CCC[NH+]1C ZINC000246566123 426845210 /nfs/dbraw/zinc/84/52/10/426845210.db2.gz AXWUEFVYPVULAQ-NVXWUHKLSA-N 2 0 313.449 2.744 20 0 DFADRP C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2CCCc2ccc3c(c2)CCO3)C1 ZINC000290563554 426792115 /nfs/dbraw/zinc/79/21/15/426792115.db2.gz SLZXGORMCGBFLE-RBUKOAKNSA-N 2 0 314.473 2.970 20 0 DFADRP C[NH+]1CCC([C@@H]2CC[N@H+](Cc3cccc4c3OCO4)C2)CC1 ZINC000290553585 426793747 /nfs/dbraw/zinc/79/37/47/426793747.db2.gz RXODVQBSVAPOKJ-OAHLLOKOSA-N 2 0 302.418 2.579 20 0 DFADRP C[C@H]1[C@H]([NH2+]Cc2ccc(CO)cc2)CCN1Cc1ccccc1 ZINC000309882114 426917961 /nfs/dbraw/zinc/91/79/61/426917961.db2.gz JWDPIGZETOWHPA-OXJNMPFZSA-N 2 0 310.441 2.932 20 0 DFADRP C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2[NH2+]1 ZINC000246731320 426859860 /nfs/dbraw/zinc/85/98/60/426859860.db2.gz YIJLPRNYAFTYRX-XDNAFOTISA-N 2 0 321.509 2.678 20 0 DFADRP CC[N@@H+]1CC[C@@H]([NH+](C)CCOc2cccc(OC)c2)[C@@H](C)C1 ZINC000246734065 426860991 /nfs/dbraw/zinc/86/09/91/426860991.db2.gz OXVBAWACOXRAQW-MAUKXSAKSA-N 2 0 306.450 2.736 20 0 DFADRP C[C@H](CC[NH2+][C@@H]1C[C@H](C)[N@H+](C)C[C@H]1C)NC(=O)OC(C)(C)C ZINC000180521190 426866133 /nfs/dbraw/zinc/86/61/33/426866133.db2.gz PKNLMTQTHUPQPB-APIJFGDWSA-N 2 0 313.486 2.608 20 0 DFADRP c1ccc(OCCCCC[NH2+]CCCC[NH+]2CCOCC2)cc1 ZINC000275822828 426924775 /nfs/dbraw/zinc/92/47/75/426924775.db2.gz RJBZYUBWOZDPOI-UHFFFAOYSA-N 2 0 320.477 2.938 20 0 DFADRP CC(C)C[C@@H]([NH2+]CCN1CC[N@H+](C)C(C)(C)C1)c1ccccn1 ZINC000282328243 426883863 /nfs/dbraw/zinc/88/38/63/426883863.db2.gz OAHLHVKHSDOYAY-GOSISDBHSA-N 2 0 318.509 2.784 20 0 DFADRP CSC[C@](C)(O)C[NH2+]C1CC[NH+]([C@@H]2CCC[C@@H](C)C2)CC1 ZINC000305127905 426884532 /nfs/dbraw/zinc/88/45/32/426884532.db2.gz LXRXNFNJVYGKGQ-DJIMGWMZSA-N 2 0 314.539 2.733 20 0 DFADRP CC[C@@H](Cc1ccc(C)cc1)[NH2+]CCN1CC[N@H+](C)C(C)(C)C1 ZINC000282345320 426885816 /nfs/dbraw/zinc/88/58/16/426885816.db2.gz PAFAQLGWXYHTAN-IBGZPJMESA-N 2 0 317.521 2.932 20 0 DFADRP CCSc1cccc(C[NH2+]CCN2CC[N@H+](C)C(C)(C)C2)c1 ZINC000282357574 426890524 /nfs/dbraw/zinc/89/05/24/426890524.db2.gz NBKPXBMMLHSCMV-UHFFFAOYSA-N 2 0 321.534 2.914 20 0 DFADRP Cc1noc(C)c1C[C@@H](C)[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000291479133 426891263 /nfs/dbraw/zinc/89/12/63/426891263.db2.gz QOGDQQIGUSRCPM-CYBMUJFWSA-N 2 0 314.433 2.876 20 0 DFADRP C[C@@H]1Cc2ccccc2N1CC[NH2+][C@@H]1C[C@@H](C)[N@H+](C)C[C@H]1C ZINC000247112586 426905448 /nfs/dbraw/zinc/90/54/48/426905448.db2.gz TYOPSGNJAWNZRL-YFHUEUNASA-N 2 0 301.478 2.756 20 0 DFADRP CC(C)Oc1ccc(C[NH2+]CCN2CC[N@H+](C)C(C)(C)C2)cc1 ZINC000282417401 426905836 /nfs/dbraw/zinc/90/58/36/426905836.db2.gz QOQCZSQWBHAUOM-UHFFFAOYSA-N 2 0 319.493 2.589 20 0 DFADRP C[C@H](c1cccnc1)N1CCN(CC[C@H]2CCCC[N@@H+]2C)CC1 ZINC000268071360 426905806 /nfs/dbraw/zinc/90/58/06/426905806.db2.gz CKZXMHDDMYXICD-IEBWSBKVSA-N 2 0 316.493 2.635 20 0 DFADRP CC(C)C[C@H](C[NH3+])CC(=O)N1CCC(C[N@H+](C)C(C)C)CC1 ZINC000316209073 426946791 /nfs/dbraw/zinc/94/67/91/426946791.db2.gz QKOMLSAUMIHZFH-KRWDZBQOSA-N 2 0 311.514 2.576 20 0 DFADRP C[C@H](CN[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)C[NH+](C)C ZINC000291804124 426994382 /nfs/dbraw/zinc/99/43/82/426994382.db2.gz XOJKIZCGURWZFA-LMMKCTJWSA-N 2 0 303.494 2.827 20 0 DFADRP CCCC[C@@H](C(=O)OC)[N@@H+]1CC[C@@H](CNc2cccc(C)[nH+]2)C1 ZINC000247428848 426937013 /nfs/dbraw/zinc/93/70/13/426937013.db2.gz VYIXLFCFBHWIPW-HOTGVXAUSA-N 2 0 319.449 2.856 20 0 DFADRP O=C(CC[C@@H]1CCC[NH2+]1)NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000292011131 427056590 /nfs/dbraw/zinc/05/65/90/427056590.db2.gz DFYUVHARDQKVNP-GJZGRUSLSA-N 2 0 321.490 2.533 20 0 DFADRP CCC(=O)CC[NH+]1CCC(CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000190269514 427060484 /nfs/dbraw/zinc/06/04/84/427060484.db2.gz SMPZEVYXXCTWBS-IYBDPMFKSA-N 2 0 310.482 2.567 20 0 DFADRP C[C@H]1CCCC[N@@H+]1CCC(=O)N1CCCC[C@H]1c1ncc[nH]1 ZINC000328792007 426999316 /nfs/dbraw/zinc/99/93/16/426999316.db2.gz RFDTXIIOURXVFN-GJZGRUSLSA-N 2 0 304.438 2.728 20 0 DFADRP CC1(C)[C@H](O)C[C@@H]1[NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]12 ZINC000248455117 427004903 /nfs/dbraw/zinc/00/49/03/427004903.db2.gz HSHYUOHEACEXJJ-IEWDOMPSSA-N 2 0 314.473 2.646 20 0 DFADRP C[C@@H]1CCCC[C@@H]1C[NH+]1CCN(C[C@H]2CCCC[N@@H+]2C)CC1 ZINC000248508752 427007520 /nfs/dbraw/zinc/00/75/20/427007520.db2.gz YIDWBFWTBWPIEA-GUDVDZBRSA-N 2 0 307.526 2.915 20 0 DFADRP CCC(CC)(CCO)[NH2+]Cc1cn(-c2cc[nH+]cc2)nc1C ZINC000337879462 427017466 /nfs/dbraw/zinc/01/74/66/427017466.db2.gz XBQRCWPHRLOBBM-UHFFFAOYSA-N 2 0 302.422 2.607 20 0 DFADRP C[C@H]1CN(Cc2ccccc2)C[C@H]1[NH2+]CC1(CO)CCCC1 ZINC000248640242 427026320 /nfs/dbraw/zinc/02/63/20/427026320.db2.gz NNFYUQWXGZXEET-FUHWJXTLSA-N 2 0 302.462 2.649 20 0 DFADRP C[C@H]([NH2+]Cc1ccccc1C[N@@H+]1CC[C@H](O)C1)C1CCCC1 ZINC000182269475 427044605 /nfs/dbraw/zinc/04/46/05/427044605.db2.gz YSBSZJQPUZGYJH-KXBFYZLASA-N 2 0 302.462 2.922 20 0 DFADRP CN(C)CC[NH+]1CCC(C[NH2+][C@H]2CCC[C@@H]2CCCF)CC1 ZINC000337990640 427079947 /nfs/dbraw/zinc/07/99/47/427079947.db2.gz DMMFGHSDWMXTDX-MSOLQXFVSA-N 2 0 313.505 2.768 20 0 DFADRP C[C@H]([NH3+])[C@H](C)C(=O)Nc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000249107565 427087345 /nfs/dbraw/zinc/08/73/45/427087345.db2.gz VPJFXNZMYINOOU-ILXRZTDVSA-N 2 0 303.450 2.840 20 0 DFADRP C[C@@H](CCCC[NH3+])NC(=O)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000292098313 427087910 /nfs/dbraw/zinc/08/79/10/427087910.db2.gz OAMDRMBQHIFCAX-WMZOPIPTSA-N 2 0 317.477 2.532 20 0 DFADRP C[C@H](CNC(=O)[C@H](C)[NH+]1[C@H](C)CC[C@H]1C)[N@@H+]1CCCC[C@H]1C ZINC000338002917 427088349 /nfs/dbraw/zinc/08/83/49/427088349.db2.gz SSDWUOKPPAZSFT-HHARLNAUSA-N 2 0 309.498 2.627 20 0 DFADRP COCC[N@H+](C)CCC[NH2+][C@@H]1CC[C@@H](Cc2ccccc2)C1 ZINC000249139533 427091855 /nfs/dbraw/zinc/09/18/55/427091855.db2.gz VLKJHRUCGRMXGB-RBUKOAKNSA-N 2 0 304.478 2.956 20 0 DFADRP Cc1ccc2c(CN3CC[C@]4(CC[N@@H+](C)C4)C3)cc(=O)oc2c1 ZINC000292116401 427094513 /nfs/dbraw/zinc/09/45/13/427094513.db2.gz JQPIRQQEQHPUQD-IBGZPJMESA-N 2 0 312.413 2.629 20 0 DFADRP C[C@@H]1C[C@H]([NH2+]C[C@@]2(O)CCC[C@@H](C(F)(F)F)C2)CC[N@@H+]1C ZINC000249185139 427095020 /nfs/dbraw/zinc/09/50/20/427095020.db2.gz KDMHZRUCDWJARW-AAVRWANBSA-N 2 0 308.388 2.542 20 0 DFADRP O[C@]1(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)CCC[C@@H](C(F)(F)F)C1 ZINC000249209224 427098218 /nfs/dbraw/zinc/09/82/18/427098218.db2.gz XFEMXRRZSYQHTL-APIJFGDWSA-N 2 0 320.399 2.686 20 0 DFADRP CC(C)[C@H](C[NH2+][C@H]1CCc2c1cccc2F)N1CC[NH+](C)CC1 ZINC000268731139 427106479 /nfs/dbraw/zinc/10/64/79/427106479.db2.gz AIKVZLFCHOMCKO-OALUTQOASA-N 2 0 319.468 2.675 20 0 DFADRP CC[N@@H+]1CC[C@H](C[NH2+][C@H](C)c2ccc(OC)c(COC)c2)C1 ZINC000249385063 427110311 /nfs/dbraw/zinc/11/03/11/427110311.db2.gz YEYCBOAIATVNRP-HUUCEWRRSA-N 2 0 306.450 2.834 20 0 DFADRP C[C@@H](C(=O)N1CC[NH+](CCC(C)(C)C)CC1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000338046930 427111095 /nfs/dbraw/zinc/11/10/95/427111095.db2.gz MTRHFACYQPKOSO-BBWFWOEESA-N 2 0 323.525 2.828 20 0 DFADRP CC[C@@H](C(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1)[NH+](C)C ZINC000268789485 427114608 /nfs/dbraw/zinc/11/46/08/427114608.db2.gz TXPMGFVPTHPMJA-SFHVURJKSA-N 2 0 317.477 2.994 20 0 DFADRP C[C@H](N[C@H]1CC[N@@H+]2CCCC[C@H]12)c1ccc(-n2cncn2)cc1 ZINC000268796222 427117526 /nfs/dbraw/zinc/11/75/26/427117526.db2.gz WRUVVKHWOHSHKT-JCGIZDLHSA-N 2 0 311.433 2.545 20 0 DFADRP C[NH+](C)CCN(C(=O)c1ccc2c[nH+]cn2c1)C1CCCCC1 ZINC000284031236 427121501 /nfs/dbraw/zinc/12/15/01/427121501.db2.gz PKNYLGNOPSVLKL-UHFFFAOYSA-N 2 0 314.433 2.671 20 0 DFADRP [NH2+]=C(NC[C@@H]1CC[N@H+](CCc2ccccc2)C1)NC1CCCC1 ZINC000249729258 427140684 /nfs/dbraw/zinc/14/06/84/427140684.db2.gz XBRKIJOVLGATHS-KRWDZBQOSA-N 2 0 314.477 2.608 20 0 DFADRP C[C@@H](C(=O)NCCCC[NH+]1CCC[C@@H](C)C1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000249763427 427144743 /nfs/dbraw/zinc/14/47/43/427144743.db2.gz XZZLFZOWMGYSLY-BDXSIMOUSA-N 2 0 323.525 2.876 20 0 DFADRP C[C@@H]1CC[C@@H](C[NH+]2CCC(CC[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)O1 ZINC000190651759 427153133 /nfs/dbraw/zinc/15/31/33/427153133.db2.gz SVBZBWDTWFYUHY-VXNCWWDNSA-N 2 0 324.509 2.765 20 0 DFADRP CN(C)[C@H](C[NH2+][C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1)c1cccs1 ZINC000250343829 427155747 /nfs/dbraw/zinc/15/57/47/427155747.db2.gz DXDKLNYCPGOAIY-ZJIFWQFVSA-N 2 0 307.507 2.861 20 0 DFADRP C1C[C@@H]2C[C@H]([NH2+][C@H]3CCOC4(CCSCC4)C3)CC[N@@H+]2C1 ZINC000251086243 427158156 /nfs/dbraw/zinc/15/81/56/427158156.db2.gz HTSVJADNNBVBQV-OWCLPIDISA-N 2 0 310.507 2.648 20 0 DFADRP CC(C)[C@H](C[NH2+][C@@H](c1ccccc1)C1CC1)N1CC[NH+](C)CC1 ZINC000132887579 271040632 /nfs/dbraw/zinc/04/06/32/271040632.db2.gz LZQVUZILDHSXBB-PMACEKPBSA-N 2 0 315.505 2.999 20 0 DFADRP Cc1ccccc1[C@@H]([NH3+])C(=O)NCCCC[N@H+]1CCCC[C@@H]1C ZINC000296383402 427163825 /nfs/dbraw/zinc/16/38/25/427163825.db2.gz KOVRIKZCOVZBGR-FUHWJXTLSA-N 2 0 317.477 2.766 20 0 DFADRP CC[N@H+](Cc1ccc(C(=O)N[C@](C)(C[NH3+])C(C)C)cc1)C1CC1 ZINC000158266493 271075174 /nfs/dbraw/zinc/07/51/74/271075174.db2.gz UNSAGVCNUYGBNP-LJQANCHMSA-N 2 0 317.477 2.774 20 0 DFADRP [NH3+][C@@H]1CC[C@H](C(=O)Nc2cccc(C[NH+]3CCCCC3)c2)C1 ZINC000165135193 271094564 /nfs/dbraw/zinc/09/45/64/271094564.db2.gz HLJWOFGOUQKOBG-JKSUJKDBSA-N 2 0 301.434 2.738 20 0 DFADRP C[C@H]1[C@@H]([NH2+][C@H]2CC[C@@H](CO)C2)CCCN1Cc1ccccc1 ZINC000296393414 427167023 /nfs/dbraw/zinc/16/70/23/427167023.db2.gz KEIGCHNZPLQPIJ-NQYYFHDYSA-N 2 0 302.462 2.790 20 0 DFADRP [NH3+]CC1CCN(C(=O)c2ccc(Nc3cc[nH+]cc3)cc2)CC1 ZINC000237816399 271253066 /nfs/dbraw/zinc/25/30/66/271253066.db2.gz UVKQISQEYORPPA-UHFFFAOYSA-N 2 0 310.401 2.636 20 0 DFADRP [NH3+]CCCCCCC(=O)NC[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000237988124 271254346 /nfs/dbraw/zinc/25/43/46/271254346.db2.gz ZWSBUVXZKKSVTC-SFHVURJKSA-N 2 0 317.477 2.849 20 0 DFADRP CCC[C@@](C)([NH3+])C(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000262314867 271271150 /nfs/dbraw/zinc/27/11/50/271271150.db2.gz PACFBRGSHPANPV-XJKSGUPXSA-N 2 0 309.479 2.519 20 0 DFADRP C[C@H](c1ccccc1F)[N@@H+](C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000264309068 271272106 /nfs/dbraw/zinc/27/21/06/271272106.db2.gz ZJDQJWVGWJQQFK-LSDHHAIUSA-N 2 0 308.441 2.911 20 0 DFADRP CC[NH+](CC)Cc1ccc(C(=O)N2CC[N@H+](C)[C@@H](C)[C@@H]2C)cc1 ZINC000338174278 427172091 /nfs/dbraw/zinc/17/20/91/427172091.db2.gz DWQUNKVKJFDNDG-HOTGVXAUSA-N 2 0 317.477 2.693 20 0 DFADRP C[C@H](NC(=O)c1ccc2c[nH+]cn2c1)[C@H](c1ccccc1)[NH+](C)C ZINC000285112724 271340641 /nfs/dbraw/zinc/34/06/41/271340641.db2.gz XAPLDSXLEDRHJX-KBXCAEBGSA-N 2 0 322.412 2.756 20 0 DFADRP C[C@H]([NH2+]CC1(C)OCCCO1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000277335387 427170223 /nfs/dbraw/zinc/17/02/23/427170223.db2.gz UPKGTVSJFMWRPJ-FUHWJXTLSA-N 2 0 318.461 2.640 20 0 DFADRP C[C@@H](CC(C)(C)O)[NH2+][C@@H](C)c1cccc(OCC[NH+](C)C)c1 ZINC000296486216 427197106 /nfs/dbraw/zinc/19/71/06/427197106.db2.gz OLEWEPMVOPLLOD-GJZGRUSLSA-N 2 0 308.466 2.827 20 0 DFADRP C[N@@H+]1CCC[C@@]2(CC[NH+](Cc3ccc(-n4cccn4)cc3)C2)C1 ZINC000292928814 427207502 /nfs/dbraw/zinc/20/75/02/427207502.db2.gz IVHNCAXSNFJHNO-LJQANCHMSA-N 2 0 310.445 2.790 20 0 DFADRP Cc1cc(N2CC[C@@H]3OCC[N@@H+](C)[C@H]3C2)c2cccc(F)c2n1 ZINC000285133068 427208375 /nfs/dbraw/zinc/20/83/75/427208375.db2.gz SGQLLGYTSIZBRA-IRXDYDNUSA-N 2 0 315.392 2.592 20 0 DFADRP CC(C)(O)CC[N@@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000285368416 427210531 /nfs/dbraw/zinc/21/05/31/427210531.db2.gz ATPJBSNWTBYEFG-LJQANCHMSA-N 2 0 302.462 2.745 20 0 DFADRP CCC[NH2+][C@H](C)C(=O)Nc1ccc(OCC[NH+](CC)CC)cc1 ZINC000296532414 427212590 /nfs/dbraw/zinc/21/25/90/427212590.db2.gz SRQBRONOJYTGHT-OAHLLOKOSA-N 2 0 321.465 2.734 20 0 DFADRP CN(CCc1nc2ccccc2n1C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000285416700 427226010 /nfs/dbraw/zinc/22/60/10/427226010.db2.gz GHRRZMDEXJLVSQ-XYPWUTKMSA-N 2 0 312.461 2.673 20 0 DFADRP C[C@H]([NH2+][C@@H]1CCCOCC1)c1ccc(OCC[NH+](C)C)cc1 ZINC000183345729 427250655 /nfs/dbraw/zinc/25/06/55/427250655.db2.gz LXXUNFUXYHJLLV-DOTOQJQBSA-N 2 0 306.450 2.847 20 0 DFADRP C[N@H+](CCCO)C1CC[NH+](C[C@H]2CCCC(F)(F)C2)CC1 ZINC000338309746 427253278 /nfs/dbraw/zinc/25/32/78/427253278.db2.gz WFCPZUDJPFRIKW-AWEZNQCLSA-N 2 0 304.425 2.591 20 0 DFADRP C[NH+](C)CCN1CCC([NH2+]Cc2ccc3occc3c2)CC1 ZINC000285520901 427260248 /nfs/dbraw/zinc/26/02/48/427260248.db2.gz RSHMBVWPBHDSFH-UHFFFAOYSA-N 2 0 301.434 2.548 20 0 DFADRP C[C@@H]1C[N@H+](CCC[NH2+]Cc2cccc3[nH]ccc32)CCCO1 ZINC000277739081 427303376 /nfs/dbraw/zinc/30/33/76/427303376.db2.gz KARRSUZSFIVDJZ-OAHLLOKOSA-N 2 0 301.434 2.758 20 0 DFADRP CC(C)[N@H+](CC[C@@H]1CCC[NH+]1C)C[C@@H](O)COc1ccccc1 ZINC000277776635 427315355 /nfs/dbraw/zinc/31/53/55/427315355.db2.gz LWKVYPLUXUHZSW-ZWKOTPCHSA-N 2 0 320.477 2.621 20 0 DFADRP CC[C@H](C(=O)Nc1ccc2c(c1F)CC[NH2+]C2)[NH+](CC)CC ZINC000261678869 427339235 /nfs/dbraw/zinc/33/92/35/427339235.db2.gz HDKMGTGICBKDRS-OAHLLOKOSA-N 2 0 307.413 2.530 20 0 DFADRP Cc1nc2ccccc2n1C1CC[NH+](CC2CC[NH2+]CC2)CC1 ZINC000262006153 427346601 /nfs/dbraw/zinc/34/66/01/427346601.db2.gz UOGQEJJFEWMZNL-UHFFFAOYSA-N 2 0 312.461 2.981 20 0 DFADRP C[NH+](C)Cc1ccsc1C(=O)NC1CC[NH+](C2CCC2)CC1 ZINC000297169598 427347383 /nfs/dbraw/zinc/34/73/83/427347383.db2.gz NGLNAJCNDJSZBI-UHFFFAOYSA-N 2 0 321.490 2.556 20 0 DFADRP COCC(C)(C)C[NH2+][C@@H](C)c1cccc(OCC[NH+](C)C)c1 ZINC000293333384 427289224 /nfs/dbraw/zinc/28/92/24/427289224.db2.gz GEPRXQOEWOKGJT-HNNXBMFYSA-N 2 0 308.466 2.950 20 0 DFADRP COC(=O)c1ccc(F)c(CN(C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)c1 ZINC000285636901 427296734 /nfs/dbraw/zinc/29/67/34/427296734.db2.gz XLEAQAJUQIEYKW-XYPWUTKMSA-N 2 0 320.408 2.669 20 0 DFADRP CC[NH+](CC)CCCC1CC[NH+](CCc2ccnn2C)CC1 ZINC000338565594 427383341 /nfs/dbraw/zinc/38/33/41/427383341.db2.gz ZIOBZATXDVVBTM-UHFFFAOYSA-N 2 0 306.498 2.797 20 0 DFADRP CCO[C@@H]1C[C@H]([NH2+]Cc2cccc(C[NH+](C)C)c2)[C@H]1SC ZINC000297313121 427396388 /nfs/dbraw/zinc/39/63/88/427396388.db2.gz BWXIDTJWAIENJY-GVDBMIGSSA-N 2 0 308.491 2.747 20 0 DFADRP COc1ccc([C@H](C)C[NH2+]CCC[N@@H+]2CCCO[C@H](C)C2)cc1 ZINC000278066633 427397811 /nfs/dbraw/zinc/39/78/11/427397811.db2.gz ZCHQKDJLQQXJEG-IAGOWNOFSA-N 2 0 320.477 2.889 20 0 DFADRP Cc1nnsc1C[NH2+][C@H](C)c1ccc(OCC[NH+](C)C)cc1 ZINC000293692564 427407860 /nfs/dbraw/zinc/40/78/60/427407860.db2.gz NVTSTKATOQMPAX-GFCCVEGCSA-N 2 0 320.462 2.638 20 0 DFADRP CCC[N@H+](CC)Cc1ccc(C(=O)NC[C@H](C)C[NH+](C)C)cc1 ZINC000293728291 427417921 /nfs/dbraw/zinc/41/79/21/427417921.db2.gz KLDRGFVLLXLWLG-INIZCTEOSA-N 2 0 319.493 2.846 20 0 DFADRP CC[NH+](CC)Cc1cccc(NC(=O)CC[C@@H]2CC[NH2+]C2)c1 ZINC000262364207 427355745 /nfs/dbraw/zinc/35/57/45/427355745.db2.gz WTMWRTSGWPTUHF-OAHLLOKOSA-N 2 0 303.450 2.857 20 0 DFADRP CCOc1cccc(C[NH2+]CCC[N@@H+]2CCCO[C@@H](C)C2)c1 ZINC000277936213 427364159 /nfs/dbraw/zinc/36/41/59/427364159.db2.gz QTLKSBZSHFKGIV-INIZCTEOSA-N 2 0 306.450 2.676 20 0 DFADRP COc1ccc([C@H](C)[C@@H](C)[NH2+]C[C@H](C)C[NH+](C)C)cc1OC ZINC000293815209 427448359 /nfs/dbraw/zinc/44/83/59/427448359.db2.gz VTJQGOKTGYZFLS-RRFJBIMHSA-N 2 0 308.466 2.983 20 0 DFADRP CSc1cc2c(cc1CN1CC[C@@H](C[NH+](C)C)C1)OCCO2 ZINC000271210112 427452641 /nfs/dbraw/zinc/45/26/41/427452641.db2.gz XYMHHWGLGUFZCY-ZDUSSCGKSA-N 2 0 322.474 2.563 20 0 DFADRP c1cc(NC2CC[NH+](C3CC3)CC2)ccc1CN1CCOCC1 ZINC000297796009 427456034 /nfs/dbraw/zinc/45/60/34/427456034.db2.gz NKRGZPCRQUXZIA-UHFFFAOYSA-N 2 0 315.461 2.558 20 0 DFADRP CC(C)c1nnc([C@@H](C)[NH2+]C2CCN(c3cc[nH+]cc3)CC2)[nH]1 ZINC000297818561 427460634 /nfs/dbraw/zinc/46/06/34/427460634.db2.gz YRCQQXGCSVJISK-CYBMUJFWSA-N 2 0 314.437 2.643 20 0 DFADRP C[C@H]([NH3+])[C@H](C)C(=O)NCc1ccccc1C[NH+]1CCCCCC1 ZINC000192105385 427479137 /nfs/dbraw/zinc/47/91/37/427479137.db2.gz GXVZFDIMYIBATK-HOTGVXAUSA-N 2 0 317.477 2.662 20 0 DFADRP CCC[N@@H+]1CC[C@@H](C[NH2+][C@@H](C)c2ccccc2-n2ccnn2)C1 ZINC000286297480 427485042 /nfs/dbraw/zinc/48/50/42/427485042.db2.gz WNHZCXDALLDVPZ-HOTGVXAUSA-N 2 0 313.449 2.650 20 0 DFADRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+][C@H](C)[C@H]1C[C@H]1c1ccccc1 ZINC000338780588 427485814 /nfs/dbraw/zinc/48/58/14/427485814.db2.gz ZDYXUIQTVIIMCP-LFGUQSLTSA-N 2 0 315.505 2.794 20 0 DFADRP C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)CC2(C[NH3+])CCCCC2)C1 ZINC000184224415 427421108 /nfs/dbraw/zinc/42/11/08/427421108.db2.gz OWXFCDSXNZDUAW-IAGOWNOFSA-N 2 0 323.525 2.770 20 0 DFADRP CC(C)(CCC[NH3+])NC(=O)c1cccc(C[NH+]2CCCC2)c1 ZINC000293745732 427422172 /nfs/dbraw/zinc/42/21/72/427422172.db2.gz VLFLAFQOGYYCDJ-UHFFFAOYSA-N 2 0 303.450 2.530 20 0 DFADRP COC(=O)c1csc([C@H](C)[NH2+]CCC2CC[NH+](C)CC2)c1 ZINC000286087121 427422673 /nfs/dbraw/zinc/42/26/73/427422673.db2.gz MODMTZQPAGLGLN-LBPRGKRZSA-N 2 0 310.463 2.917 20 0 DFADRP CCCC[NH+]1CCN([C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000286089102 427422753 /nfs/dbraw/zinc/42/27/53/427422753.db2.gz STDOSBGQZSJDCW-IBGZPJMESA-N 2 0 301.478 2.679 20 0 DFADRP CC[N@@H+]1CC[C@H](C[NH2+][C@H]2CCCN(Cc3ccccc3)[C@H]2C)C1 ZINC000293779568 427431800 /nfs/dbraw/zinc/43/18/00/427431800.db2.gz QBDWMIDZMICMHU-SXLOBPIMSA-N 2 0 315.505 2.971 20 0 DFADRP C[C@H](CNC(=O)[C@@H]1CCCC[C@@]1(C)[NH3+])[N@H+](C)Cc1ccccc1 ZINC000263185994 427432174 /nfs/dbraw/zinc/43/21/74/427432174.db2.gz HHHSNKFXVUFTEJ-HHXXYDBFSA-N 2 0 317.477 2.531 20 0 DFADRP CC[NH+]1CCN(CCC[NH2+]C2CC(C)(c3ccccc3)C2)CC1 ZINC000297698079 427432669 /nfs/dbraw/zinc/43/26/69/427432669.db2.gz QGZTZWTWJKMSTP-UHFFFAOYSA-N 2 0 315.505 2.724 20 0 DFADRP CC[NH+]1CCN(CCC[NH2+][C@H](C)[C@H]2C[C@H]2c2ccccc2)CC1 ZINC000338689025 427440449 /nfs/dbraw/zinc/44/04/49/427440449.db2.gz BIIIHQYFMQYDJA-RLLQIKCJSA-N 2 0 315.505 2.796 20 0 DFADRP CC[N@@H+]1CC[C@@H](N(C)Cc2c(C)nc3sc(C)nn23)[C@@H](C)C1 ZINC000271192989 427442857 /nfs/dbraw/zinc/44/28/57/427442857.db2.gz MRZNPTKKRBCGTE-SMDDNHRTSA-N 2 0 321.494 2.570 20 0 DFADRP Cc1ccc(C[NH+](C)C)cc1NC(=O)[C@@H]1CCC[N@@H+]1C1CC1 ZINC000278999958 427527302 /nfs/dbraw/zinc/52/73/02/427527302.db2.gz GMHVOGXPFZQDOZ-KRWDZBQOSA-N 2 0 301.434 2.622 20 0 DFADRP CC[N@H+](Cc1ccc(C(=O)NC[C@H](C)C[NH+](C)C)cc1)C(C)C ZINC000294041058 427531392 /nfs/dbraw/zinc/53/13/92/427531392.db2.gz FOYNSVSKRADOIN-INIZCTEOSA-N 2 0 319.493 2.844 20 0 DFADRP C[C@@H]1CCCC[N@@H+]1CCC[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000298251242 427547187 /nfs/dbraw/zinc/54/71/87/427547187.db2.gz DLERDKDTASTHLE-QGZVFWFLSA-N 3 0 316.493 2.905 20 0 DFADRP C[C@H]1[C@@H](NC2CC[NH+](C3CC3)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000294314315 427619809 /nfs/dbraw/zinc/61/98/09/427619809.db2.gz WCQDRHXTOKVQAB-JXFKEZNVSA-N 2 0 313.489 2.866 20 0 DFADRP C[C@@H]1COCC[C@H]1[NH2+]C[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000192536432 427558859 /nfs/dbraw/zinc/55/88/59/427558859.db2.gz DGNUVCQUAIFKPL-NZSAHSFTSA-N 2 0 302.462 2.566 20 0 DFADRP COC(=O)Nc1ccc(CC[NH2+][C@@H]2C[C@H](C)[N@H+](C)C[C@H]2C)cc1 ZINC000271508450 427562920 /nfs/dbraw/zinc/56/29/20/427562920.db2.gz OKDAETBTRUAMDB-JKIFEVAISA-N 2 0 319.449 2.726 20 0 DFADRP CCOc1cc(C[NH2+]CCCC[NH+](C)C)cc(Cl)c1O ZINC000298299809 427565035 /nfs/dbraw/zinc/56/50/35/427565035.db2.gz HNKHGMDCKBOKQS-UHFFFAOYSA-N 2 0 300.830 2.876 20 0 DFADRP CCc1oc(CN(C)[C@H]2CC[N@@H+](CC)C[C@H]2C)cc1C(=O)OC ZINC000338944959 427577631 /nfs/dbraw/zinc/57/76/31/427577631.db2.gz PFOBWQSGGMGVFK-CJNGLKHVSA-N 2 0 322.449 2.791 20 0 DFADRP CC(C)[N@@H+]1CCC[C@H](C[NH2+]C2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000298372211 427588320 /nfs/dbraw/zinc/58/83/20/427588320.db2.gz KSSGQQAOESEAOA-QGZVFWFLSA-N 3 0 316.493 2.760 20 0 DFADRP C[NH+](C)CCCC1CC[NH+]([C@H]2Cc3ccccc3[C@H]2O)CC1 ZINC000272041449 427610944 /nfs/dbraw/zinc/61/09/44/427610944.db2.gz OREJRDUXAOHRMK-RBUKOAKNSA-N 2 0 302.462 2.699 20 0 DFADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@](C)(O)c2cccc(Cl)c2)[C@H](C)C1 ZINC000185314056 427630972 /nfs/dbraw/zinc/63/09/72/427630972.db2.gz HVLOJKKSLFBSEQ-COXVUDFISA-N 2 0 310.869 2.867 20 0 DFADRP CCC[C@@H]([NH2+]C[C@H](C)CN1CC[NH+](CC)CC1)c1cccnc1 ZINC000185344897 427635975 /nfs/dbraw/zinc/63/59/75/427635975.db2.gz XBOUFVHZPSGLQM-PKOBYXMFSA-N 2 0 318.509 2.786 20 0 DFADRP CC(C)CC[NH+]1CCC(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000192937150 427638614 /nfs/dbraw/zinc/63/86/14/427638614.db2.gz OKHKAOKSCJVMMO-YQQQUEKLSA-N 2 0 307.526 2.959 20 0 DFADRP C[C@H]1CC2(C[N@@H+]1Cc1nc(-c3ccsc3)no1)CC[NH2+]CC2 ZINC000333556322 427648133 /nfs/dbraw/zinc/64/81/33/427648133.db2.gz KGQHYMZIJRPFQP-LBPRGKRZSA-N 2 0 318.446 2.762 20 0 DFADRP Cc1nc2ccccc2n1C[C@@H]1CCC[N@@H+]1CCc1cn[nH]c1 ZINC000298575935 427651358 /nfs/dbraw/zinc/65/13/58/427651358.db2.gz XIOXQTBBWFENIV-INIZCTEOSA-N 2 0 309.417 2.775 20 0 DFADRP COc1ccccc1C1(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)CC1 ZINC000339068588 427658433 /nfs/dbraw/zinc/65/84/33/427658433.db2.gz RMIKZEVFRQBBKL-CVEARBPZSA-N 2 0 300.446 2.943 20 0 DFADRP CCSc1cccc(C[NH2+]C[C@H](C)N2CC[NH+](CC)CC2)c1 ZINC000185467130 427658627 /nfs/dbraw/zinc/65/86/27/427658627.db2.gz NQEUMFMZRURVOD-INIZCTEOSA-N 2 0 321.534 2.914 20 0 DFADRP C[C@@H]1CC[C@H]([NH2+]Cc2ccncc2OCC[NH+](C)C)C[C@@H]1C ZINC000342427329 272011282 /nfs/dbraw/zinc/01/12/82/272011282.db2.gz MILWBCBADRMQPV-VYDXJSESSA-N 2 0 305.466 2.936 20 0 DFADRP CCc1ccc(C[NH+]2CCC(OCC[NH+]3CCCC3)CC2)nc1 ZINC000339011621 427625298 /nfs/dbraw/zinc/62/52/98/427625298.db2.gz VRWPZCHLWVCBEI-UHFFFAOYSA-N 2 0 317.477 2.721 20 0 DFADRP C[C@H](C(=O)NCc1ccc(C[NH+](C)C)cc1)[NH+]1CCCCCC1 ZINC000342925981 272067146 /nfs/dbraw/zinc/06/71/46/272067146.db2.gz NFUFQLNZGZTJCL-MRXNPFEDSA-N 2 0 317.477 2.629 20 0 DFADRP CC[N@@H+]1C[C@H](C)[C@H](NC2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000343164546 272092417 /nfs/dbraw/zinc/09/24/17/272092417.db2.gz WHBZKXIFOXTAOJ-FXAWDEMLSA-N 2 0 315.505 2.623 20 0 DFADRP c1ccc([C@@H]2OCC[C@@H]2C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000343335240 272120842 /nfs/dbraw/zinc/12/08/42/272120842.db2.gz HWUKPECPGOSWPY-MKXGPGLRSA-N 2 0 300.446 2.981 20 0 DFADRP CC(C)[NH+](CCC[NH2+]C[C@@H]1CCO[C@@H]1c1ccnn1C)C(C)C ZINC000343351827 272125799 /nfs/dbraw/zinc/12/57/99/272125799.db2.gz DTTNWKFIPFVROO-WMZOPIPTSA-N 2 0 322.497 2.596 20 0 DFADRP C[C@H](CN(C)Cc1ccccc1)[NH2+][C@H]1C[C@H](C)N(C2CC2)C1 ZINC000343923254 272238264 /nfs/dbraw/zinc/23/82/64/272238264.db2.gz GMPVHVVJZGVAIT-RYRKJORJSA-N 2 0 301.478 2.722 20 0 DFADRP C[NH+](C)CCOc1cnccc1C[NH2+][C@@H]1CC[C@H]1C(C)(C)C ZINC000343982074 272246821 /nfs/dbraw/zinc/24/68/21/272246821.db2.gz KTBGUTXHEDQGCO-HZPDHXFCSA-N 2 0 305.466 2.936 20 0 DFADRP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+]C[C@@](C)(O)CCC(C)C ZINC000344194542 272283911 /nfs/dbraw/zinc/28/39/11/272283911.db2.gz GZWILSHFMVNTLQ-SFHVURJKSA-N 2 0 316.449 2.853 20 0 DFADRP C[C@@H]1CN(C)C[C@H]1[NH2+]Cc1cccc(C[NH+]2CCC(C)CC2)c1 ZINC000344191450 272284135 /nfs/dbraw/zinc/28/41/35/272284135.db2.gz VFSGYGSHXGACNK-YLJYHZDGSA-N 2 0 315.505 2.958 20 0 DFADRP C[C@@H]1CN(C)C[C@@H]1[NH2+]Cc1cccc(C[NH+]2CCC(C)CC2)c1 ZINC000344191448 272284246 /nfs/dbraw/zinc/28/42/46/272284246.db2.gz VFSGYGSHXGACNK-XLIONFOSSA-N 2 0 315.505 2.958 20 0 DFADRP COC(=O)c1occc1C[NH2+]CCCCC[NH+]1CCCCC1 ZINC000344216289 272289643 /nfs/dbraw/zinc/28/96/43/272289643.db2.gz IJFGWVONVJACBS-UHFFFAOYSA-N 2 0 308.422 2.812 20 0 DFADRP C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)[C@H]2CC[NH+](C)[C@H](C)C2)C1 ZINC000344219758 272289986 /nfs/dbraw/zinc/28/99/86/272289986.db2.gz ZNLAUDGITTXZKA-TWMKSMIVSA-N 2 0 323.525 2.589 20 0 DFADRP C[C@@H]1CN(C2CC2)C[C@@H]1[NH2+][C@@H]1CCO[C@@H]1c1ccc(F)c(F)c1 ZINC000344297547 272307259 /nfs/dbraw/zinc/30/72/59/272307259.db2.gz BCYOQXFUTZHIMG-QXNHNSEWSA-N 2 0 322.399 2.867 20 0 DFADRP C[NH+]1CCC(C)(C[NH2+]Cc2cc(-n3ccnc3)cs2)CC1 ZINC000344328953 272313554 /nfs/dbraw/zinc/31/35/54/272313554.db2.gz MNDYNRAQOVATRC-UHFFFAOYSA-N 2 0 304.463 2.755 20 0 DFADRP C/C(=C/c1ccccc1)C[NH2+]CC1(O)CC[NH+](C(C)C)CC1 ZINC000344632381 272349874 /nfs/dbraw/zinc/34/98/74/272349874.db2.gz SLBDACGOYZPCCI-LGMDPLHJSA-N 2 0 302.462 2.915 20 0 DFADRP CO[C@H](c1ccccc1)[C@@H](C)[NH2+]CCCC[N@@H+]1CCC[C@H]1CO ZINC000279841718 427721965 /nfs/dbraw/zinc/72/19/65/427721965.db2.gz ZXDVDCKDDJSDQC-NEWSRXKRSA-N 2 0 320.477 2.589 20 0 DFADRP C[C@@H]1CC[C@H](C)[NH+]1[C@@H]1CCCN(C(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC000345000152 272392201 /nfs/dbraw/zinc/39/22/01/272392201.db2.gz IVHOMMKBHUBHSP-MDMSPXHWSA-N 2 0 321.509 2.723 20 0 DFADRP [NH3+][C@H]1C[C@H](NCC2([NH3+])C3CC4CC(C3)CC2C4)c2ccccc21 ZINC000333758380 427686034 /nfs/dbraw/zinc/68/60/34/427686034.db2.gz AEAQGAZLFNIONQ-RKSSWEMJSA-N 2 0 311.473 2.874 20 0 DFADRP C[C@@H](CCN1CC[NH+](C)CC1)[NH2+]Cc1cnc(C(C)(C)C)s1 ZINC000185875525 427723173 /nfs/dbraw/zinc/72/31/73/427723173.db2.gz ZDQLCDJTMGMLQZ-AWEZNQCLSA-N 2 0 324.538 2.556 20 0 DFADRP CC[NH+](CC)C[C@@H]1CC[N@H+](C[C@H](O)Cc2cccc(Cl)c2)C1 ZINC000287779932 427691311 /nfs/dbraw/zinc/69/13/11/427691311.db2.gz NJQUJGVHOHGKDZ-FUHWJXTLSA-N 2 0 324.896 2.907 20 0 DFADRP CCc1nc(C)cc(N2CCCN(Cc3cscn3)CC2)n1 ZINC000287799609 427694421 /nfs/dbraw/zinc/69/44/21/427694421.db2.gz JFMOAZNMJBTKEL-UHFFFAOYSA-N 2 0 317.462 2.516 20 0 DFADRP C[C@H]([NH2+]Cc1ccc(CO)cc1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185755392 427700282 /nfs/dbraw/zinc/70/02/82/427700282.db2.gz WKHAYMOZQBXTQW-YJBOKZPZSA-N 2 0 302.462 2.922 20 0 DFADRP C[N@H+]1CC=C(C[NH2+]Cc2cccc(OCC(F)(F)F)c2)CC1 ZINC000345182855 272423767 /nfs/dbraw/zinc/42/37/67/272423767.db2.gz HHSWHPPSXCFSQZ-UHFFFAOYSA-N 2 0 314.351 2.979 20 0 DFADRP c1ccc(C[NH+]2C[C@H]3C[N@H+](C[C@H]4CCSC4)C[C@H]3C2)cc1 ZINC000279587551 427707779 /nfs/dbraw/zinc/70/77/79/427707779.db2.gz CHAJVZWLOPYBPY-KURKYZTESA-N 2 0 302.487 2.803 20 0 DFADRP C[C@@H]([NH2+]CC[C@H]1CCC[N@@H+]1C)C1CCN(CC(F)(F)F)CC1 ZINC000339162416 427711322 /nfs/dbraw/zinc/71/13/22/427711322.db2.gz BSBIKBXMLIKPKZ-UKRRQHHQSA-N 2 0 321.431 2.723 20 0 DFADRP COc1ccc2c(c1)nc(CNCc1cccc3nccn31)n2C ZINC000185843683 427716946 /nfs/dbraw/zinc/71/69/46/427716946.db2.gz HKSIJNLQPDOOAF-UHFFFAOYSA-N 2 0 321.384 2.519 20 0 DFADRP CC[N@@H+]1CC[C@H](C[NH2+][C@H]2CCC[C@H](CCCC(=O)OC)C2)C1 ZINC000339188441 427724014 /nfs/dbraw/zinc/72/40/14/427724014.db2.gz DFYMTFHMJHLKMM-ZACQAIPSSA-N 2 0 310.482 2.820 20 0 DFADRP COC(=O)CCC[C@H]1CCC[C@@H]([NH2+]CC2=CC[N@H+](C)CC2)C1 ZINC000339339234 427757487 /nfs/dbraw/zinc/75/74/87/427757487.db2.gz DZLWNOULQWAEIB-NVXWUHKLSA-N 2 0 308.466 2.740 20 0 DFADRP Cc1cc(C[NH+]2CCC(CCC[NH+]3CCCC3)CC2)nn1C ZINC000336857520 427762095 /nfs/dbraw/zinc/76/20/95/427762095.db2.gz SSYHELJXENQLPM-UHFFFAOYSA-N 2 0 304.482 2.817 20 0 DFADRP CC[NH+](CC)CC1CC[NH+](C[C@@H](O)Cc2ccccc2)CC1 ZINC000336858110 427763318 /nfs/dbraw/zinc/76/33/18/427763318.db2.gz XCOLHHWCULZGBB-IBGZPJMESA-N 2 0 304.478 2.644 20 0 DFADRP CC(C)[C@H](C[NH2+][C@H](C)CCCC(F)(F)F)N1CC[NH+](C)CC1 ZINC000336860891 427764476 /nfs/dbraw/zinc/76/44/76/427764476.db2.gz VWQMWTDKYITGEK-CABCVRRESA-N 2 0 323.447 2.969 20 0 DFADRP CC[NH+](CC)CCC[C@H](C)NC(=O)[C@H]([NH3+])CC1CCCCC1 ZINC000336863069 427765441 /nfs/dbraw/zinc/76/54/41/427765441.db2.gz HSJKAFZDYQQUJN-DOTOQJQBSA-N 2 0 311.514 2.911 20 0 DFADRP [NH3+]CCCOC1CC[NH+](Cc2cc(-c3ccccc3)no2)CC1 ZINC000336868410 427767745 /nfs/dbraw/zinc/76/77/45/427767745.db2.gz SAVXRAZKMLENOK-UHFFFAOYSA-N 2 0 315.417 2.671 20 0 DFADRP CC[NH2+]CC1CC[NH+](CCCc2ccc3c(c2)CCO3)CC1 ZINC000339405313 427769323 /nfs/dbraw/zinc/76/93/23/427769323.db2.gz ATNNCOBJTYMGDT-UHFFFAOYSA-N 2 0 302.462 2.876 20 0 DFADRP COc1ccc(C[N@H+](C[C@@H]2CCC[NH2+]C2)[C@H](CO)C(C)C)cc1 ZINC000339431723 427773819 /nfs/dbraw/zinc/77/38/19/427773819.db2.gz UUFWGADDRNARKK-IEBWSBKVSA-N 2 0 320.477 2.514 20 0 DFADRP Fc1ccc2c(NCCCC[NH+]3CCOCC3)cc[nH+]c2c1 ZINC000301290419 427786650 /nfs/dbraw/zinc/78/66/50/427786650.db2.gz TUNPECMJBCWNKI-UHFFFAOYSA-N 2 0 303.381 2.898 20 0 DFADRP Cc1ccc(C[NH2+]C(C)(C)CCN2CC[NH+](C)CC2)c(C)c1 ZINC000185889339 427724889 /nfs/dbraw/zinc/72/48/89/427724889.db2.gz MLCDOYYBDSSIQD-UHFFFAOYSA-N 2 0 303.494 2.809 20 0 DFADRP CC[C@@H](C(=O)NCC(C)(C)C[NH+](C)C)[N@H+](C)Cc1ccccc1 ZINC000339242330 427739320 /nfs/dbraw/zinc/73/93/20/427739320.db2.gz YVUQEFXBHPGUSB-KRWDZBQOSA-N 2 0 319.493 2.601 20 0 DFADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)C[C@@H]1CC[C@H](C)C1 ZINC000345657206 272512064 /nfs/dbraw/zinc/51/20/64/272512064.db2.gz VFUGDLBLFVBZDF-RCCFBDPRSA-N 2 0 323.525 2.687 20 0 DFADRP [NH3+]C[C@H](Cc1ccccc1)[C@@H]1CCCC[N@@H+]1CC1CC[NH2+]CC1 ZINC000337033749 427790404 /nfs/dbraw/zinc/79/04/04/427790404.db2.gz HGWJYBKADCARLZ-PMACEKPBSA-N 2 0 315.505 2.658 20 0 DFADRP c1ccc(C[NH+]2CC[C@@H]3C[N@@H+](CC4CCOCC4)C[C@@H]3C2)cc1 ZINC000336696227 427748712 /nfs/dbraw/zinc/74/87/12/427748712.db2.gz ARVVFCCILZWWEH-UXHICEINSA-N 2 0 314.473 2.867 20 0 DFADRP Cc1cc(Cl)cc(C[NH2+]CCN2CCC([NH+](C)C)CC2)c1 ZINC000339293685 427752695 /nfs/dbraw/zinc/75/26/95/427752695.db2.gz PDYUGJDUVDQWJA-UHFFFAOYSA-N 2 0 309.885 2.764 20 0 DFADRP CC[C@H](Cn1cncn1)[NH2+]Cc1cccc(C[NH+](CC)CC)c1 ZINC000340477043 427857875 /nfs/dbraw/zinc/85/78/75/427857875.db2.gz WLMKHVNRXWSFQR-GOSISDBHSA-N 2 0 315.465 2.688 20 0 DFADRP Cc1cccc2c(N3CC[C@H](C[NH+]4CCOCC4)C3)cc[nH+]c12 ZINC000301667394 427814037 /nfs/dbraw/zinc/81/40/37/427814037.db2.gz MGEJZNGUFJICTP-MRXNPFEDSA-N 2 0 311.429 2.702 20 0 DFADRP CC[NH+]1CCN([C@@H](C)CNc2cc[nH+]c3c(C)cccc23)CC1 ZINC000301681661 427815434 /nfs/dbraw/zinc/81/54/34/427815434.db2.gz SFLMIGUWZLGFJY-INIZCTEOSA-N 2 0 312.461 2.981 20 0 DFADRP COc1ccc(OCCC[N@H+](C)CCC[NH+]2CCCC2)cc1 ZINC000337218811 427817731 /nfs/dbraw/zinc/81/77/31/427817731.db2.gz CDEDBCJFWWAOIG-UHFFFAOYSA-N 2 0 306.450 2.882 20 0 DFADRP CN(C)c1ccnc(NC[C@@H](c2cccs2)[NH+]2CCCC2)n1 ZINC000301734701 427820376 /nfs/dbraw/zinc/82/03/76/427820376.db2.gz QSHZOIYAZNPNPF-ZDUSSCGKSA-N 2 0 317.462 2.853 20 0 DFADRP CCCc1cc(N2CC[NH+](CCOC)CC2)c2ccccc2[nH+]1 ZINC000301794850 427825558 /nfs/dbraw/zinc/82/55/58/427825558.db2.gz PGYIZNSKYPMOEP-UHFFFAOYSA-N 2 0 313.445 2.956 20 0 DFADRP COCC[N@@H+]1CCN(c2cc(C(C)C)nc(C(C)C)n2)C[C@H]1C ZINC000301809774 427825986 /nfs/dbraw/zinc/82/59/86/427825986.db2.gz GNBZJEQDXGDOPM-OAHLLOKOSA-N 2 0 320.481 2.880 20 0 DFADRP CC(C)[NH+]1CCN(CCC[N@@H+]2CC[C@@H]2Cc2ccccc2)CC1 ZINC000337257676 427826112 /nfs/dbraw/zinc/82/61/12/427826112.db2.gz UKSDCDGRMYEWPS-HXUWFJFHSA-N 2 0 315.505 2.720 20 0 DFADRP Cc1ccc(NC(=O)[C@@H](C)N(C)CCC[NH+]2CCCC2)cc1F ZINC000337280426 427830361 /nfs/dbraw/zinc/83/03/61/427830361.db2.gz VEIBUGLZUVWRIX-OAHLLOKOSA-N 2 0 321.440 2.879 20 0 DFADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCNc2nc(N)c3ccccc3n2)C1 ZINC000301896211 427834159 /nfs/dbraw/zinc/83/41/59/427834159.db2.gz ULFGVOVIQADCOZ-OKILXGFUSA-N 2 0 313.449 2.992 20 0 DFADRP CC(C)C[N@@H+]1CCC[C@H]1CNC(=O)[C@H]1CCC[NH+]1C1CCCC1 ZINC000337311245 427836168 /nfs/dbraw/zinc/83/61/68/427836168.db2.gz CAUHMPZNMVVWJW-ZWKOTPCHSA-N 2 0 321.509 2.630 20 0 DFADRP CC[NH+](CC)CCOCC[NH2+][C@H]1CCCOc2ccccc21 ZINC000349661522 427837774 /nfs/dbraw/zinc/83/77/74/427837774.db2.gz GFVWBMLMDMESJD-KRWDZBQOSA-N 2 0 306.450 2.848 20 0 DFADRP CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)C[C@@H]1C ZINC000359408051 427839515 /nfs/dbraw/zinc/83/95/15/427839515.db2.gz JWPSYFHWKNUAHZ-FIDHJVLJSA-N 2 0 308.466 2.571 20 0 DFADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)C[C@H]1CC[C@@H](C)C1 ZINC000345657200 427848693 /nfs/dbraw/zinc/84/86/93/427848693.db2.gz VFUGDLBLFVBZDF-FGTMMUONSA-N 2 0 323.525 2.687 20 0 DFADRP CCc1c(C)[nH+]c2ccccc2c1N1CCO[C@H](C[NH+](C)C)C1 ZINC000302055688 427849289 /nfs/dbraw/zinc/84/92/89/427849289.db2.gz QKLGJNYPZXRHBD-OAHLLOKOSA-N 2 0 313.445 2.872 20 0 DFADRP CC[C@H]([NH2+]CC1(O)CC[NH+](C)CC1)c1cccc(Cl)c1F ZINC000359436690 427849495 /nfs/dbraw/zinc/84/94/95/427849495.db2.gz XSMUNYNEWMHFGL-AWEZNQCLSA-N 2 0 314.832 2.977 20 0 DFADRP C[NH+](C)C1CCN(CCNC(=O)C[C@@H]2CCCCC2(C)C)CC1 ZINC000337343782 427855252 /nfs/dbraw/zinc/85/52/52/427855252.db2.gz XYJMKCCCTZHOQJ-INIZCTEOSA-N 2 0 323.525 2.735 20 0 DFADRP CC(C)C[C@@H](CNC(=O)[C@@H](C)[N@H+](C)Cc1ccccc1)[NH+](C)C ZINC000345680149 427855358 /nfs/dbraw/zinc/85/53/58/427855358.db2.gz XYTZPUJJNPSQSG-AEFFLSMTSA-N 2 0 319.493 2.599 20 0 DFADRP CC(C)(C)[C@@H]1CC[C@@H]1[NH2+]C[C@@H](O)CN1CCc2ccccc2C1 ZINC000340506029 427867867 /nfs/dbraw/zinc/86/78/67/427867867.db2.gz QWDHZJKOLGDMDA-QRVBRYPASA-N 2 0 316.489 2.820 20 0 DFADRP COc1cc(C)c(C[C@H](C)[NH2+][C@H](C)CC[NH+](C)C)cc1OC ZINC000337380531 427874412 /nfs/dbraw/zinc/87/44/12/427874412.db2.gz IYTFJPOXKMHHRZ-CABCVRRESA-N 2 0 308.466 2.873 20 0 DFADRP c1ccc(CN2CCC[C@@H]([NH2+]C[C@H]3CC[N@@H+](C4CC4)C3)C2)cc1 ZINC000302871495 427882363 /nfs/dbraw/zinc/88/23/63/427882363.db2.gz KSPTZZXKXIIEJF-RTBURBONSA-N 2 0 313.489 2.725 20 0 DFADRP c1ccc(CN2CCC[C@H]([NH2+]C[C@H]3CC[N@@H+](C4CC4)C3)C2)cc1 ZINC000302871494 427882562 /nfs/dbraw/zinc/88/25/62/427882562.db2.gz KSPTZZXKXIIEJF-MOPGFXCFSA-N 2 0 313.489 2.725 20 0 DFADRP Cc1cc(C[N@@H+](C)CCCN2CC[NH+](C(C)C)CC2)ccc1F ZINC000337403924 427890444 /nfs/dbraw/zinc/89/04/44/427890444.db2.gz IMIHTQRQBIBQFN-UHFFFAOYSA-N 2 0 321.484 2.982 20 0 DFADRP c1nc(NCC2CC2)cc(N2CCC[N@@H+](C3CCCC3)CC2)n1 ZINC000340021849 427903536 /nfs/dbraw/zinc/90/35/36/427903536.db2.gz WUFXOGQGAWEMGC-UHFFFAOYSA-N 2 0 315.465 2.753 20 0 DFADRP CCC[C@H](C(=O)NC[C@@H]([NH2+][C@H](C)CC)c1ccco1)[NH+](C)C ZINC000359551139 427904527 /nfs/dbraw/zinc/90/45/27/427904527.db2.gz ZMWSGOVNSLUNGG-RBSFLKMASA-N 2 0 309.454 2.555 20 0 DFADRP C[C@H](CC1CCOCC1)C[N@@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@H]21 ZINC000349971454 427912808 /nfs/dbraw/zinc/91/28/08/427912808.db2.gz JQFRLEONTAYULE-QXCFHYIPSA-N 2 0 324.509 2.623 20 0 DFADRP C[C@H](CC1CCOCC1)C[N@@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@H]21 ZINC000349971452 427912846 /nfs/dbraw/zinc/91/28/46/427912846.db2.gz JQFRLEONTAYULE-NXWXRZEISA-N 2 0 324.509 2.623 20 0 DFADRP C[C@@H]1CCC[N@H+](CCCCNC(=O)[C@@H]2CCCC[C@@]2(C)[NH3+])C1 ZINC000345823313 427920529 /nfs/dbraw/zinc/92/05/29/427920529.db2.gz VFFPZMCHLBEOHP-SOLBZPMBSA-N 2 0 309.498 2.522 20 0 DFADRP CC1CC[NH+](CCCCNC(=O)[C@@H]2CCCC[C@]2(C)[NH3+])CC1 ZINC000345830521 427923071 /nfs/dbraw/zinc/92/30/71/427923071.db2.gz XQTIUOJTOMYERR-WMZOPIPTSA-N 2 0 309.498 2.522 20 0 DFADRP CC[NH+](CC)CCN(Cc1cccs1)C[C@@H]1CCC[NH2+]C1 ZINC000346819078 272689539 /nfs/dbraw/zinc/68/95/39/272689539.db2.gz DSDHBOJDPHKCNZ-MRXNPFEDSA-N 2 0 309.523 2.892 20 0 DFADRP [NH3+][C@@H]1CCC[C@H]2C[N@H+](Cc3cnn(-c4ccc(F)cc4)c3)C[C@@H]21 ZINC000346823573 272690003 /nfs/dbraw/zinc/69/00/03/272690003.db2.gz FGSXCJKECDOJNC-JCGIZDLHSA-N 2 0 314.408 2.571 20 0 DFADRP COC1CCN(C2(C[NH2+][C@H](C)[C@]3(C)CCCO3)CCCC2)CC1 ZINC000340231682 427960224 /nfs/dbraw/zinc/96/02/24/427960224.db2.gz VBXPYDUZUVRZSV-AEFFLSMTSA-N 2 0 324.509 2.957 20 0 DFADRP CC[C@H](C[NH2+][C@@H]1CC[N@H+](C)C[C@H]1C)N1CCc2ccccc2C1 ZINC000359662331 427962555 /nfs/dbraw/zinc/96/25/55/427962555.db2.gz JPBQATXCEQDLFV-NSISKUIASA-N 2 0 315.505 2.753 20 0 DFADRP CC[NH+]1CCN(CCC[NH2+][C@@H](C)CCCC(F)(F)F)CC1 ZINC000359670248 427965688 /nfs/dbraw/zinc/96/56/88/427965688.db2.gz DJAFNAYNNFUNJH-AWEZNQCLSA-N 2 0 309.420 2.725 20 0 DFADRP Cc1cnc(CNC[C@@H]2CCC[N@H+](C)[C@H]2c2cccs2)n1C ZINC000341048018 427978650 /nfs/dbraw/zinc/97/86/50/427978650.db2.gz RPIURCZXBRTLAD-WMLDXEAASA-N 2 0 318.490 2.963 20 0 DFADRP COCC[N@H+](C)CCC[NH2+][C@H]1CCC[C@H](c2cccnc2)C1 ZINC000376738198 427990076 /nfs/dbraw/zinc/99/00/76/427990076.db2.gz SEYAKTYCUXYNTJ-WMZOPIPTSA-N 2 0 305.466 2.666 20 0 DFADRP CCCC[C@H](C)C(=O)N(CC[NH+](C)C)C[C@@H]1CCC[N@@H+]1CC ZINC000337485325 427927473 /nfs/dbraw/zinc/92/74/73/427927473.db2.gz YUCLZOCBAVEVEM-IRXDYDNUSA-N 2 0 311.514 2.687 20 0 DFADRP C[C@H]1C[NH+](CCCC[NH2+]Cc2ccccc2N(C)C)C[C@H](C)O1 ZINC000340175810 427946162 /nfs/dbraw/zinc/94/61/62/427946162.db2.gz QADANHWUCAXMEC-IRXDYDNUSA-N 2 0 319.493 2.732 20 0 DFADRP CC[NH+]1CCC(N[C@@H]2CC[N@H+](C)[C@@H](c3ccccc3)C2)CC1 ZINC000340181206 427947621 /nfs/dbraw/zinc/94/76/21/427947621.db2.gz MWKLCNHYTLPIFA-RTBURBONSA-N 2 0 301.478 2.896 20 0 DFADRP CC[N@@H+]1CC[C@H](CN[C@H]2CC[NH+](C)[C@@H](c3ccccc3)C2)C1 ZINC000340188863 427949506 /nfs/dbraw/zinc/94/95/06/427949506.db2.gz QNRKMVFADNEHJW-NZSAHSFTSA-N 2 0 301.478 2.753 20 0 DFADRP CCCN(C)Cc1nc(-c2ccc(OCC[NH+](C)C)cc2)no1 ZINC000350592198 427953807 /nfs/dbraw/zinc/95/38/07/427953807.db2.gz FPIWBYUANRDPER-UHFFFAOYSA-N 2 0 318.421 2.519 20 0 DFADRP C[C@@H](C[NH+]1CCCCC1)NC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000359845955 428043825 /nfs/dbraw/zinc/04/38/25/428043825.db2.gz CJILJGOQTIMTJZ-IRXDYDNUSA-N 2 0 321.509 2.632 20 0 DFADRP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+]1CCC[C@H]2COCC[C@H]21 ZINC000346166993 428048760 /nfs/dbraw/zinc/04/87/60/428048760.db2.gz JPVBIGAJFIBVHC-MAUKXSAKSA-N 2 0 312.417 2.577 20 0 DFADRP CC[C@@H](C(=O)N1CC[N@H+](C)CC12CCCCC2)[NH+](CC)CC ZINC000359861972 428051467 /nfs/dbraw/zinc/05/14/67/428051467.db2.gz UBMZJHVEWMSNAF-INIZCTEOSA-N 2 0 309.498 2.584 20 0 DFADRP CC(C)CN(C(=O)[C@H](C)[NH+]1[C@@H](C)CC[C@@H]1C)C1CC[NH+](C)CC1 ZINC000413460366 428055104 /nfs/dbraw/zinc/05/51/04/428055104.db2.gz UBQBNQCEIQBTHK-ULQDDVLXSA-N 2 0 323.525 2.827 20 0 DFADRP C[C@H]([NH2+]C[C@]1(O)CCN(C)C1)c1ccc(F)c2ccccc21 ZINC000340357740 427998854 /nfs/dbraw/zinc/99/88/54/427998854.db2.gz IDUSFJLXWHYDPE-SCLBCKFNSA-N 2 0 302.393 2.696 20 0 DFADRP CCC[N@H+](CC)C[C@H](C)NC(=O)c1ccc(C[NH+](C)C)cc1 ZINC000359767866 428010506 /nfs/dbraw/zinc/01/05/06/428010506.db2.gz VYTBORUNSUZFMX-HNNXBMFYSA-N 2 0 305.466 2.598 20 0 DFADRP CC[N@@H+]1CCN(c2cc[nH+]c3cc(OC)c(OC)cc32)[C@@H](C)C1 ZINC000413283999 428011668 /nfs/dbraw/zinc/01/16/68/428011668.db2.gz UJAVNALKNGJFQO-ZDUSSCGKSA-N 2 0 315.417 2.782 20 0 DFADRP C[C@H]([NH2+]CC1(CCO)CC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000376899521 428019204 /nfs/dbraw/zinc/01/92/04/428019204.db2.gz SLMLLSLGFAMKEH-WMZOPIPTSA-N 2 0 302.462 2.649 20 0 DFADRP CCC[C@H]([NH2+]C[C@@H]1CN2CCCC[C@@H]2CO1)c1cccnc1 ZINC000376893267 428019683 /nfs/dbraw/zinc/01/96/83/428019683.db2.gz NNPIOSIUWHDJOT-KURKYZTESA-N 2 0 303.450 2.766 20 0 DFADRP C[C@@H]([NH2+]CC1(CCO)CC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000376899520 428020397 /nfs/dbraw/zinc/02/03/97/428020397.db2.gz SLMLLSLGFAMKEH-SJLPKXTDSA-N 2 0 302.462 2.649 20 0 DFADRP CCC[NH+]1CCN(c2ccccc2C[NH2+][C@@H]2CCSC2)CC1 ZINC000346217125 428075648 /nfs/dbraw/zinc/07/56/48/428075648.db2.gz XNEBJBPJGGXJCP-QGZVFWFLSA-N 2 0 319.518 2.814 20 0 DFADRP CC[N@H+](Cc1ccc(C(=O)N[C@H](C)C[NH+](C)C)cc1)C(C)C ZINC000346221485 428078123 /nfs/dbraw/zinc/07/81/23/428078123.db2.gz LTKCPEBNIVVNKZ-OAHLLOKOSA-N 2 0 305.466 2.597 20 0 DFADRP C[C@@H]1CCCC[C@H]1C[N@@H+]1CCCN(Cc2nccn2C)CC1 ZINC000369917074 428088471 /nfs/dbraw/zinc/08/84/71/428088471.db2.gz ASALHDJNYGNNAF-SJORKVTESA-N 2 0 304.482 2.754 20 0 DFADRP COc1ccc2c(c1)[C@H]([NH2+]Cc1cccc3nccn31)CCO2 ZINC000341551855 428101707 /nfs/dbraw/zinc/10/17/07/428101707.db2.gz TXKAUKQOZUTAIS-MRXNPFEDSA-N 2 0 309.369 2.956 20 0 DFADRP CC[NH+](CC)Cc1ccc(C(=O)N(CC[NH+](C)C)C2CC2)cc1 ZINC000356289536 428108289 /nfs/dbraw/zinc/10/82/89/428108289.db2.gz LQUSUHSKHHVWBZ-UHFFFAOYSA-N 2 0 317.477 2.695 20 0 DFADRP CCC[N@@H+]1CCC[C@H]1C(=O)N1CC[NH+](C2CCC(C)CC2)CC1 ZINC000360027285 428122092 /nfs/dbraw/zinc/12/20/92/428122092.db2.gz HDMWQPFZTDEJSS-ABHNRTSZSA-N 2 0 321.509 2.584 20 0 DFADRP O[C@H](CC[N@@H+]1C[C@@H]2C[NH+]3CCCC[C@H]3[C@H]2C1)c1ccccc1 ZINC000377124106 428064850 /nfs/dbraw/zinc/06/48/50/428064850.db2.gz CPIRAXIEBIKVCG-YDZRNGNQSA-N 2 0 300.446 2.526 20 0 DFADRP CN(Cc1ccc(OCC(F)(F)F)cc1)[C@H](C[NH3+])C1CC1 ZINC000359896984 428066974 /nfs/dbraw/zinc/06/69/74/428066974.db2.gz KDNBDCLSGLNUMU-CQSZACIVSA-N 2 0 302.340 2.797 20 0 DFADRP CCN(CC[NH+]1CCCCCC1)C(=O)[C@H](C)[NH2+]C(C)(C)CC ZINC000346356494 428140043 /nfs/dbraw/zinc/14/00/43/428140043.db2.gz UZJKXJIINGLJHY-INIZCTEOSA-N 2 0 311.514 2.878 20 0 DFADRP c1cn(-c2csc(C[N@@H+]3CCC[C@]4(CC[NH2+]C4)C3)c2)cn1 ZINC000352540231 428141506 /nfs/dbraw/zinc/14/15/06/428141506.db2.gz IMKQVFVDKOVKMM-MRXNPFEDSA-N 2 0 302.447 2.509 20 0 DFADRP Cc1ccn2c(C[N@H+](CCC[NH3+])CC3CCCC3)cnc2c1 ZINC000352541306 428142681 /nfs/dbraw/zinc/14/26/81/428142681.db2.gz WGZZTFSGQQPGDK-UHFFFAOYSA-N 2 0 300.450 2.984 20 0 DFADRP CSC1(C[NH+]2CCC(C[NH+]3C[C@@H](C)O[C@H](C)C3)CC2)CC1 ZINC000377540866 428153098 /nfs/dbraw/zinc/15/30/98/428153098.db2.gz KNKLTYPSVMKOMD-HUUCEWRRSA-N 2 0 312.523 2.703 20 0 DFADRP FC(F)(F)CC[NH+]1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000356454008 428185007 /nfs/dbraw/zinc/18/50/07/428185007.db2.gz KHGIEXOCFOYVTH-UHFFFAOYSA-N 2 0 308.388 2.763 20 0 DFADRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H]2CCCSC2)[C@@H](C)C1 ZINC000352633522 428176600 /nfs/dbraw/zinc/17/66/00/428176600.db2.gz OXYWOUFXTWPSHG-XHSDSOJGSA-N 2 0 300.512 2.609 20 0 DFADRP COc1ccc(C[C@H](C)[NH2+]C[C@H]2CCC[N@H+](CC(C)C)C2)cn1 ZINC000414097465 428206938 /nfs/dbraw/zinc/20/69/38/428206938.db2.gz JCCQGVWQDSNWIC-FUHWJXTLSA-N 2 0 319.493 2.979 20 0 DFADRP C[N@@H+]1CCC[C@H]1CC[NH+]1C[C@@H](c2ccc(Cl)cc2)[C@H](CO)C1 ZINC000377723346 428208514 /nfs/dbraw/zinc/20/85/14/428208514.db2.gz NEUZNUPYPRCJBV-SZMVWBNQSA-N 2 0 322.880 2.832 20 0 DFADRP COc1ccc(C[C@@H](C)[NH2+]C2CC([NH+]3CCCCC3)C2)cn1 ZINC000414152516 428219895 /nfs/dbraw/zinc/21/98/95/428219895.db2.gz QJMFWJAOSLYTDY-ODIFPOPNSA-N 2 0 303.450 2.628 20 0 DFADRP Cc1ccc(C[C@H]([NH2+]C[C@H](O)C[NH+]2CCCC2)C(C)C)cc1 ZINC000360244100 428220398 /nfs/dbraw/zinc/22/03/98/428220398.db2.gz ZJOYJXWSZOXICK-OALUTQOASA-N 2 0 304.478 2.608 20 0 DFADRP C[C@H](CCC1CC1)[NH2+]CC1CC[NH+](CC(=O)NC(C)(C)C)CC1 ZINC000346568576 428222951 /nfs/dbraw/zinc/22/29/51/428222951.db2.gz OQSOTDHVLOIUMM-OAHLLOKOSA-N 2 0 323.525 2.781 20 0 DFADRP C[NH+](C)C1(CNC(=O)[C@H](C2CC2)[NH+]2CCCC2)CCCCCC1 ZINC000352737362 428226200 /nfs/dbraw/zinc/22/62/00/428226200.db2.gz UJTXDKXNNLZEDE-KRWDZBQOSA-N 2 0 321.509 2.632 20 0 DFADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]C2CCC(OC)CC2)[C@@H](C)C1 ZINC000414180217 428227858 /nfs/dbraw/zinc/22/78/58/428227858.db2.gz LLENMVKYZBATIC-FCCDEINASA-N 2 0 312.498 2.671 20 0 DFADRP CCOC1CC(O)(C[NH2+]C2CC[NH+]([C@@H]3CCCC[C@@H]3C)CC2)C1 ZINC000370526110 428230183 /nfs/dbraw/zinc/23/01/83/428230183.db2.gz IMUQCFNYOQVIAW-WEOZKBJRSA-N 2 0 324.509 2.549 20 0 DFADRP C[C@@H]([NH2+]CC[C@H]1CCC[N@H+](C)C1)c1ccc(-n2cncn2)cc1 ZINC000414187583 428230670 /nfs/dbraw/zinc/23/06/70/428230670.db2.gz QBITYAPASNRWBP-HZPDHXFCSA-N 2 0 313.449 2.650 20 0 DFADRP CCC[NH+](CCC)CCCNC(=O)[C@@H](C)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000341863267 428232196 /nfs/dbraw/zinc/23/21/96/428232196.db2.gz NGVNSWDRLRJIGB-IXDOHACOSA-N 2 0 311.514 2.876 20 0 DFADRP OC[C@H]1CCC[N@@H+]1CCCC[NH2+]C/C=C\c1ccc(F)c(F)c1 ZINC000352749339 428232347 /nfs/dbraw/zinc/23/23/47/428232347.db2.gz MNRLROVXKRZGLZ-OICCZTGUSA-N 2 0 324.415 2.805 20 0 DFADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCc1cnccn1 ZINC000370366168 428194885 /nfs/dbraw/zinc/19/48/85/428194885.db2.gz OJOGKOMTOLJHAU-VQIMIIECSA-N 2 0 310.445 2.519 20 0 DFADRP C[C@@H]([NH2+]CCCN1CC[N@H+](C)C[C@@H]1c1ccccc1)[C@H]1C[C@H]1C ZINC000414066674 428196629 /nfs/dbraw/zinc/19/66/29/428196629.db2.gz PVMAYNLZMHXKCJ-IZBJGVDFSA-N 2 0 315.505 2.999 20 0 DFADRP Cc1ccncc1CCC[N@@H+]1CCC[C@@H]1[C@H]1COCC[C@@]1(C)O ZINC000377698018 428197955 /nfs/dbraw/zinc/19/79/55/428197955.db2.gz PGBDSWBDSGBNEP-GUDVDZBRSA-N 2 0 318.461 2.575 20 0 DFADRP Cc1ccc(C[N@H+]2CCCC[C@H](N3CCN(C)CC3)C2)s1 ZINC000377698357 428198402 /nfs/dbraw/zinc/19/84/02/428198402.db2.gz MLHZRCKZAULVDX-INIZCTEOSA-N 2 0 307.507 2.658 20 0 DFADRP CC[C@H](C)[C@@H](C)C(=O)N(CC[NH+](C)C)C[C@@H]1CCC[N@@H+]1CC ZINC000356498856 428205046 /nfs/dbraw/zinc/20/50/46/428205046.db2.gz ACQPWVPBVTUEHC-BBWFWOEESA-N 2 0 311.514 2.543 20 0 DFADRP CO[C@H](C[NH2+][C@@H]1CC[N@H+](C[C@@H]2CCCO2)C[C@@H]1C)C(C)(C)C ZINC000370659436 428264378 /nfs/dbraw/zinc/26/43/78/428264378.db2.gz COUWAKITCQAUGU-MWDXBVQZSA-N 2 0 312.498 2.527 20 0 DFADRP C[C@H]1C[C@@H](C[NH3+])CN1CC(C)(C)C[N@H+](C)Cc1ccccc1 ZINC000346668532 428266815 /nfs/dbraw/zinc/26/68/15/428266815.db2.gz IUEFNZCKCYHOLQ-WMZOPIPTSA-N 2 0 303.494 2.814 20 0 DFADRP C[C@H]1C[C@@H](C[NH3+])C[N@@H+]1Cc1ccccc1OCc1ccccn1 ZINC000346677835 428268050 /nfs/dbraw/zinc/26/80/50/428268050.db2.gz LRKPLTPPZMOCMZ-HOTGVXAUSA-N 2 0 311.429 2.830 20 0 DFADRP Cc1nccn1CCC[NH2+]C1CCN(Cc2cccs2)CC1 ZINC000370677318 428270774 /nfs/dbraw/zinc/27/07/74/428270774.db2.gz UYFKPTLRRUUXST-UHFFFAOYSA-N 3 0 318.490 2.897 20 0 DFADRP Cc1ccc(C[N@@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@H](C)C2)s1 ZINC000370712005 428280182 /nfs/dbraw/zinc/28/01/82/428280182.db2.gz YZOYOZMFUZQYTP-RHSMWYFYSA-N 2 0 307.507 2.514 20 0 DFADRP Cc1ccc(C[N@@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@H](C)C2)s1 ZINC000370712004 428282130 /nfs/dbraw/zinc/28/21/30/428282130.db2.gz YZOYOZMFUZQYTP-PBHICJAKSA-N 2 0 307.507 2.514 20 0 DFADRP Cc1ccccc1C[NH+]1CCC(N[C@@H]2CC[N@@H+](C)C[C@H]2C)CC1 ZINC000360415045 428289994 /nfs/dbraw/zinc/28/99/94/428289994.db2.gz VASHGEKKWPVYML-YLJYHZDGSA-N 2 0 315.505 2.889 20 0 DFADRP C[N@@H+]1CC[C@@H]2[C@@H](CCCN2Cc2cnc([C@H]3CCCO3)s2)C1 ZINC000377839127 428242746 /nfs/dbraw/zinc/24/27/46/428242746.db2.gz GJQQAOGBBKSQRN-NUEKZKHPSA-N 2 0 321.490 2.911 20 0 DFADRP C[N@@H+]1CC[C@H]([NH2+]CCOc2ccc(Cl)cn2)[C@@H]2CCC[C@H]21 ZINC000370583278 428245591 /nfs/dbraw/zinc/24/55/91/428245591.db2.gz IVRFQTHUKAYLHF-SOUVJXGZSA-N 2 0 309.841 2.576 20 0 DFADRP C[C@@H]1CCC[C@H]([NH+]2CCC([NH2+]CCc3cnccn3)CC2)C1 ZINC000341901441 428245617 /nfs/dbraw/zinc/24/56/17/428245617.db2.gz YROWDYUYTMPZKI-QAPCUYQASA-N 2 0 302.466 2.652 20 0 DFADRP COc1ccc(C[N@@H+]2CC[C@@H]([C@@H](C)[NH3+])C2)cc1OCC(C)C ZINC000346646605 428253822 /nfs/dbraw/zinc/25/38/22/428253822.db2.gz OQHKFULNUBMGCY-GDBMZVCRSA-N 2 0 306.450 2.899 20 0 DFADRP CC(C)[C@@H]([NH3+])CC[N@H+](C)Cc1cn(C)nc1-c1cccs1 ZINC000346651324 428256313 /nfs/dbraw/zinc/25/63/13/428256313.db2.gz HGLWZPFXLVWSBY-AWEZNQCLSA-N 2 0 306.479 2.954 20 0 DFADRP C[C@@H]([NH2+][C@@H]1CCN(C2CC[NH+](C)CC2)C1)c1cc(F)ccc1F ZINC000370624819 428257370 /nfs/dbraw/zinc/25/73/70/428257370.db2.gz QBDLXNOYFMJQOT-UKRRQHHQSA-N 2 0 323.431 2.784 20 0 DFADRP C[C@H]([NH2+][C@@H]1CCN(C2CC[NH+](C)CC2)C1)c1ccccc1F ZINC000370623715 428258235 /nfs/dbraw/zinc/25/82/35/428258235.db2.gz BGZRYQSUCLFLMV-LSDHHAIUSA-N 2 0 305.441 2.645 20 0 DFADRP CO[C@H](C)[C@@H](C)[NH2+]CC1CC[NH+](CCc2ccccc2)CC1 ZINC000370638269 428259061 /nfs/dbraw/zinc/25/90/61/428259061.db2.gz VEICGCVOTGYLHZ-IAGOWNOFSA-N 2 0 304.478 2.954 20 0 DFADRP Cc1cccc([C@@H](C)[NH2+][C@H]2CCN(C3CC[NH+](C)CC3)C2)c1 ZINC000370637666 428259926 /nfs/dbraw/zinc/25/99/26/428259926.db2.gz VNYHSZXXYMEGEO-AEFFLSMTSA-N 2 0 301.478 2.814 20 0 DFADRP C[C@@H](O)CCC[N@@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000352813494 428260113 /nfs/dbraw/zinc/26/01/13/428260113.db2.gz BTEZGRNWRXFXSJ-MJGOQNOKSA-N 2 0 302.462 2.745 20 0 DFADRP CC[N@@H+]1CC[C@H]([NH2+]C2CCN(c3cccc(C)n3)CC2)[C@H](C)C1 ZINC000378168767 428325506 /nfs/dbraw/zinc/32/55/06/428325506.db2.gz MGUJWKYBKFBHJX-QAPCUYQASA-N 2 0 316.493 2.679 20 0 DFADRP COC[C@H]([NH2+][C@H]1CCN(Cc2cnc(C)s2)C[C@H]1C)C1CC1 ZINC000378181712 428328884 /nfs/dbraw/zinc/32/88/84/428328884.db2.gz BUMRZVIMYJOPPI-DQYPLSBCSA-N 2 0 323.506 2.677 20 0 DFADRP Cn1cc(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)c(-c2cccs2)n1 ZINC000346824061 428331243 /nfs/dbraw/zinc/33/12/43/428331243.db2.gz KWIOQPTWQGRQHE-NWANDNLSSA-N 2 0 316.474 2.708 20 0 DFADRP C[C@@H]1C[C@H](O)C[N@H+](CC(C)(C)C[NH+](C)Cc2ccccc2)C1 ZINC000414527274 428331312 /nfs/dbraw/zinc/33/13/12/428331312.db2.gz QWCOVMVJADQTJT-AEFFLSMTSA-N 2 0 304.478 2.847 20 0 DFADRP c1cc2c(c([C@@H]3CCC[N@H+]3C[C@@H]3CCC[NH2+]C3)c1)OCCO2 ZINC000346825097 428331447 /nfs/dbraw/zinc/33/14/47/428331447.db2.gz ANVQMNUYKQVDNU-ZBFHGGJFSA-N 2 0 302.418 2.594 20 0 DFADRP Cc1cnn(CC[N@@H+]2CC[C@H](n3c(C)nc4c3CCCC4)C2)c1 ZINC000342171896 428333277 /nfs/dbraw/zinc/33/32/77/428333277.db2.gz RGVLHBORWXYGRN-INIZCTEOSA-N 2 0 313.449 2.522 20 0 DFADRP Cc1cnn(CC[N@@H+]2CC[C@@H](n3c(C)nc4c3CCCC4)C2)c1 ZINC000342171908 428333427 /nfs/dbraw/zinc/33/34/27/428333427.db2.gz RGVLHBORWXYGRN-MRXNPFEDSA-N 2 0 313.449 2.522 20 0 DFADRP Cc1cccc(-c2n[nH]cc2C[N@@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)c1 ZINC000346833667 428336626 /nfs/dbraw/zinc/33/66/26/428336626.db2.gz MHKNMESRVSTDCX-JQHSSLGASA-N 2 0 310.445 2.944 20 0 DFADRP CC[NH+](CC)[C@H](C(=O)N1CCN(C)[C@@H](C)[C@@H]1C)c1ccccc1 ZINC000356851457 428338078 /nfs/dbraw/zinc/33/80/78/428338078.db2.gz MVFXEOOTPXWSDA-BQFCYCMXSA-N 2 0 317.477 2.621 20 0 DFADRP CCCOc1ccc(C[N@@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)cc1OC ZINC000346837228 428339059 /nfs/dbraw/zinc/33/90/59/428339059.db2.gz PQPZPGKGCUIZRK-HRCADAONSA-N 2 0 304.434 2.653 20 0 DFADRP C[C@@H]([NH2+]Cc1cccc(OCC[NH+](C)C)c1)[C@H]1CCCOC1 ZINC000356857475 428340136 /nfs/dbraw/zinc/34/01/36/428340136.db2.gz XCEUJDIJXCNMAI-WBVHZDCISA-N 2 0 306.450 2.532 20 0 DFADRP CC[C@H](C)C[NH2+]Cc1ccc(C[NH+]2CCC(C(N)=O)CC2)cc1 ZINC000414560675 428340499 /nfs/dbraw/zinc/34/04/99/428340499.db2.gz XLJDWOBUHZEFPK-HNNXBMFYSA-N 2 0 317.477 2.520 20 0 DFADRP COc1cccc(C[N@@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)c1OC(C)C ZINC000346843591 428342659 /nfs/dbraw/zinc/34/26/59/428342659.db2.gz KICIBFWGHBJKFG-NUEKZKHPSA-N 2 0 304.434 2.652 20 0 DFADRP CCOCc1cc(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)ccc1OC ZINC000346844748 428342710 /nfs/dbraw/zinc/34/27/10/428342710.db2.gz JWHIPOSZAJCDDH-RYQLBKOJSA-N 2 0 318.461 2.791 20 0 DFADRP CC(C)CSCCC[N@@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@@H]21 ZINC000378248770 428346303 /nfs/dbraw/zinc/34/63/03/428346303.db2.gz ZXGRQFAXQHESDA-YESZJQIVSA-N 2 0 314.539 2.949 20 0 DFADRP CCN(CC)c1ncc(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)s1 ZINC000346856845 428347689 /nfs/dbraw/zinc/34/76/89/428347689.db2.gz PRXWJCCCDPNLJX-NWANDNLSSA-N 2 0 308.495 2.549 20 0 DFADRP CC1(C)CN(C[C@@H]2CCC[NH2+]C2)CC[N@@H+]1Cc1ccccc1 ZINC000346855563 428347880 /nfs/dbraw/zinc/34/78/80/428347880.db2.gz ODZPGKGGYCTGDC-GOSISDBHSA-N 2 0 301.478 2.582 20 0 DFADRP CC[NH+]1CCC([NH2+]C[C@](CC)(C(=O)OC)c2ccccc2)CC1 ZINC000414574974 428348460 /nfs/dbraw/zinc/34/84/60/428348460.db2.gz BNRVNPWGOUGEHC-IBGZPJMESA-N 2 0 318.461 2.581 20 0 DFADRP Cn1cc(C[N@@H+]2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)c(C2CCCCC2)n1 ZINC000346858820 428350854 /nfs/dbraw/zinc/35/08/54/428350854.db2.gz RXYNDGSZDWGMRE-XIRDDKMYSA-N 2 0 302.466 2.637 20 0 DFADRP Cc1oc(-c2ccsc2)nc1CN1CC[C@]2(CC[NH2+]C2)C1 ZINC000360567889 428352602 /nfs/dbraw/zinc/35/26/02/428352602.db2.gz HYOLFOBIFFWBTJ-INIZCTEOSA-N 2 0 303.431 2.897 20 0 DFADRP C[C@H](C(=O)Nc1cccc2ccccc21)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000360567468 428352928 /nfs/dbraw/zinc/35/29/28/428352928.db2.gz FFXYXXZIAGKAQQ-FOIQADDNSA-N 2 0 323.440 2.852 20 0 DFADRP CC(C)c1ccccc1NC(=O)[C@@H](C)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000360568711 428352938 /nfs/dbraw/zinc/35/29/38/428352938.db2.gz LGGBZOWPXFZELK-BEFAXECRSA-N 2 0 315.461 2.822 20 0 DFADRP C[C@@H]([NH2+]CC[C@H]1CCOC1)c1cccc(OCC[NH+](C)C)c1 ZINC000346877016 428354891 /nfs/dbraw/zinc/35/48/91/428354891.db2.gz RONJPKVFPYJJKM-CVEARBPZSA-N 2 0 306.450 2.704 20 0 DFADRP C[NH+](C)C[C@](C)(O)C[NH2+][C@@H]1CCC[C@@H]1c1ccc(Cl)cc1 ZINC000378399058 428388524 /nfs/dbraw/zinc/38/85/24/428388524.db2.gz GXLLRUATYCRMAV-BRWVUGGUSA-N 2 0 310.869 2.878 20 0 DFADRP C[C@H]1C[C@H](C[NH+]2CCC(C(=O)NC3CCCCC3)CC2)CC[NH2+]1 ZINC000414741644 428390304 /nfs/dbraw/zinc/39/03/04/428390304.db2.gz HLEZLPTUOGTHQP-JKSUJKDBSA-N 2 0 321.509 2.535 20 0 DFADRP CC[N@@H+](Cc1ccc(OC)cc1OC)C[C@H]1CC[NH2+][C@H](C)C1 ZINC000414735110 428390440 /nfs/dbraw/zinc/39/04/40/428390440.db2.gz BXUNOHTXSDPCSE-CABCVRRESA-N 2 0 306.450 2.914 20 0 DFADRP Cc1nn(Cc2ccccc2)c(C)c1CN1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000357106988 428390665 /nfs/dbraw/zinc/39/06/65/428390665.db2.gz RMCGEEVLWMTERC-OALUTQOASA-N 2 0 324.472 2.590 20 0 DFADRP C[C@@H]1C[C@@H](CN2CC[NH2+]C[C@H]2c2cccc(Cl)c2)CC[NH2+]1 ZINC000414739236 428390749 /nfs/dbraw/zinc/39/07/49/428390749.db2.gz PWQQDGLNJVBZAG-KEYYUXOJSA-N 2 0 307.869 2.674 20 0 DFADRP Cc1csc(NC2CC[NH+](C[C@@H]3CC[NH2+][C@@H](C)C3)CC2)n1 ZINC000414740525 428390884 /nfs/dbraw/zinc/39/08/84/428390884.db2.gz GPWCTWAIZWOYFC-GXTWGEPZSA-N 2 0 308.495 2.716 20 0 DFADRP CCOC(=O)[C@@H]1C[N@H+](C[C@H]2CC[NH2+][C@H](C)C2)Cc2ccccc21 ZINC000414748306 428391915 /nfs/dbraw/zinc/39/19/15/428391915.db2.gz NXOHZULDJUVMNC-RVKKMQEKSA-N 2 0 316.445 2.537 20 0 DFADRP C[C@@H]1CCC[C@@H]([NH+]2CCC([NH2+][C@H]3CCc4nccn4C3)CC2)C1 ZINC000371482575 428392100 /nfs/dbraw/zinc/39/21/00/428392100.db2.gz YZVTUKNCEDUYRH-BPQIPLTHSA-N 2 0 316.493 2.831 20 0 DFADRP C[C@H](CC(=O)Nc1cccc(Cl)c1)[NH2+][C@H]1CCC[C@H]1C[NH3+] ZINC000414794903 428413998 /nfs/dbraw/zinc/41/39/98/428413998.db2.gz GDJGWKBMGNUTEL-XUJVJEKNSA-N 2 0 309.841 2.774 20 0 DFADRP C[C@H](C(=O)NCCCCC[NH+]1CCCC1)[NH+]1CCCCCC1 ZINC000357109554 428393222 /nfs/dbraw/zinc/39/32/22/428393222.db2.gz IXWPGRXQBGYXHA-QGZVFWFLSA-N 2 0 309.498 2.633 20 0 DFADRP CCC1(CC)[C@H]([NH2+]CCc2cn3c(n2)CCCC3)C[C@H]1OC ZINC000371506544 428395785 /nfs/dbraw/zinc/39/57/85/428395785.db2.gz SHRFJFHCQGHETJ-HZPDHXFCSA-N 2 0 305.466 2.945 20 0 DFADRP [NH3+][C@@H]1CCO[C@H]1C1CC[NH+](Cc2cc(F)cc(Cl)c2)CC1 ZINC000414767494 428399077 /nfs/dbraw/zinc/39/90/77/428399077.db2.gz GGIHTCUEUGXFOM-CVEARBPZSA-N 2 0 312.816 2.807 20 0 DFADRP C[C@H]1C[N@H+](CCCC2CCCC2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000360689027 428399755 /nfs/dbraw/zinc/39/97/55/428399755.db2.gz DPNYVZXGKGNOBR-HKUYNNGSSA-N 2 0 307.526 2.915 20 0 DFADRP c1nc([C@@H]2CCCO2)sc1C[N@@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000414773079 428401023 /nfs/dbraw/zinc/40/10/23/428401023.db2.gz CTYDDMYRJAPCLL-YCPHGPKFSA-N 2 0 321.490 2.816 20 0 DFADRP C[C@@H]1CC[C@@H]1[NH2+]Cc1c(Cl)cccc1N1CC[NH+](C)CC1 ZINC000353146538 428403684 /nfs/dbraw/zinc/40/36/84/428403684.db2.gz XZFGZNDHFMDGNS-CJNGLKHVSA-N 2 0 307.869 2.980 20 0 DFADRP Cc1ccc(NC(=O)C[C@@H](C)[NH2+]C2CC[NH2+]CC2)cc1Cl ZINC000414785677 428407012 /nfs/dbraw/zinc/40/70/12/428407012.db2.gz VWSREHRPHJSOSQ-GFCCVEGCSA-N 2 0 309.841 2.707 20 0 DFADRP COC(=O)C[C@@](C)(NCC[C@@H]1CCC[N@@H+]1C)c1cccc(F)c1 ZINC000353152524 428407075 /nfs/dbraw/zinc/40/70/75/428407075.db2.gz XFNMDICJPZKIPO-FUHWJXTLSA-N 2 0 322.424 2.678 20 0 DFADRP COc1cc(C)c(C[N@@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)c(C)n1 ZINC000414789675 428408913 /nfs/dbraw/zinc/40/89/13/428408913.db2.gz YKSSZUSSGNTWQL-JKSUJKDBSA-N 2 0 303.450 2.529 20 0 DFADRP [NH3+]C[C@@H]1C[N@H+](Cc2cc3cc(F)ccc3o2)CC12CCOCC2 ZINC000414788096 428409776 /nfs/dbraw/zinc/40/97/76/428409776.db2.gz WFFQPWOMDXYMLF-CQSZACIVSA-N 2 0 318.392 2.759 20 0 DFADRP c1nc(-c2ccccc2)[nH]c1C[N@@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000414789269 428410332 /nfs/dbraw/zinc/41/03/32/428410332.db2.gz YHKNACVJYJHUHW-IAGOWNOFSA-N 2 0 310.445 2.898 20 0 DFADRP CCOc1ccc(C[N@@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)cc1OC ZINC000414789695 428410508 /nfs/dbraw/zinc/41/05/08/428410508.db2.gz YLXLOYLZSJRCFH-SJORKVTESA-N 2 0 318.461 2.915 20 0 DFADRP COc1cc2c(c(C[NH+]3CCC([C@@H](C)[NH3+])CC3)c1)O[C@@H](C)C2 ZINC000347025427 428411652 /nfs/dbraw/zinc/41/16/52/428411652.db2.gz SDTRBBLZWZNQTB-QWHCGFSZSA-N 2 0 304.434 2.578 20 0 DFADRP Cc1nn(-c2cccc(F)c2)cc1C[NH2+][C@@H]1CCC[C@H]1C[NH3+] ZINC000414791983 428412745 /nfs/dbraw/zinc/41/27/45/428412745.db2.gz BSNARGDLEDXAGH-SUMWQHHRSA-N 2 0 302.397 2.537 20 0 DFADRP CCC(C)(C)[NH2+][C@H](C)C(=O)N[C@H](C)C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000347026994 428412939 /nfs/dbraw/zinc/41/29/39/428412939.db2.gz QNYPSZGVNZKXSZ-QKPAOTATSA-N 2 0 311.514 2.636 20 0 DFADRP COc1cccc(C[NH+]2CCC(C)(C[NH+]3CCOCC3)CC2)c1 ZINC000371086057 428357210 /nfs/dbraw/zinc/35/72/10/428357210.db2.gz ICQBFWWSDGMUOJ-UHFFFAOYSA-N 2 0 318.461 2.630 20 0 DFADRP COc1ccc(C[NH2+]CCC2CC[NH+](C)CC2)c(C)c1OC ZINC000342226447 428358951 /nfs/dbraw/zinc/35/89/51/428358951.db2.gz IKBYPOHVZQQGIE-UHFFFAOYSA-N 2 0 306.450 2.834 20 0 DFADRP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)N1CC[NH+](C2CCC(C)CC2)CC1 ZINC000346906714 428367417 /nfs/dbraw/zinc/36/74/17/428367417.db2.gz JUOBCUOKGZVQSL-ZTOOSOLZSA-N 2 0 321.509 2.582 20 0 DFADRP C[C@H](CC(=O)Nc1cccc(Cl)c1)[NH2+][C@@H]1CCC[C@@H]1C[NH3+] ZINC000414794901 428413422 /nfs/dbraw/zinc/41/34/22/428413422.db2.gz GDJGWKBMGNUTEL-LALPHHSUSA-N 2 0 309.841 2.774 20 0 DFADRP C[C@H](c1ccc(-n2cncn2)cc1)[N@H+](C)C[C@H]1CC[NH2+][C@H](C)C1 ZINC000414674462 428370686 /nfs/dbraw/zinc/37/06/86/428370686.db2.gz SAZIGPOVYFUIDD-OAGGEKHMSA-N 2 0 313.449 2.648 20 0 DFADRP c1nc([C@@H]2CCCO2)sc1C[NH+]1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000357050438 428373721 /nfs/dbraw/zinc/37/37/21/428373721.db2.gz MLRFLYINTIDKAC-HOCLYGCPSA-N 2 0 321.490 2.816 20 0 DFADRP Cc1ccc(NC(=O)C[NH+]2CCC([C@@H]3CC[NH2+]C3)CC2)cc1C ZINC000357066743 428377498 /nfs/dbraw/zinc/37/74/98/428377498.db2.gz CIVOWECTQLOXNZ-QGZVFWFLSA-N 2 0 315.461 2.563 20 0 DFADRP C[C@@H]1C[C@@H](C[N@@H+]2CCC[C@@H]2c2cccc3c2OCCO3)CC[NH2+]1 ZINC000414693709 428378945 /nfs/dbraw/zinc/37/89/45/428378945.db2.gz MXADPNLDBNGLCW-HLLBOEOZSA-N 2 0 316.445 2.983 20 0 DFADRP C[C@@H]1C[C@@H](C[N@H+](C)Cc2nccn2Cc2ccccc2)CC[NH2+]1 ZINC000414692251 428379684 /nfs/dbraw/zinc/37/96/84/428379684.db2.gz KPQYFFXKJUUDCH-AEFFLSMTSA-N 2 0 312.461 2.751 20 0 DFADRP Cc1ccnc(OC2CC[NH+](C[C@@H]3CC[NH2+][C@H](C)C3)CC2)c1 ZINC000414704924 428381373 /nfs/dbraw/zinc/38/13/73/428381373.db2.gz DTCRDPVNQWFLCP-HZPDHXFCSA-N 2 0 303.450 2.621 20 0 DFADRP CCN(CC)C(=O)CCC1CC[NH+](C[C@@H]2CC[NH2+][C@H](C)C2)CC1 ZINC000414714580 428384235 /nfs/dbraw/zinc/38/42/35/428384235.db2.gz QJJVMMGZWRSVDU-SJLPKXTDSA-N 2 0 323.525 2.735 20 0 DFADRP Cc1ccc2ncc(CN3C[C@@H]4C[N@@H+]5CCCC[C@H]5[C@H]4C3)n2c1 ZINC000360777130 428433509 /nfs/dbraw/zinc/43/35/09/428433509.db2.gz KBMCQDXXEXFVGA-NJAFHUGGSA-N 2 0 310.445 2.559 20 0 DFADRP Cn1c(C[NH2+]CC[C@H]2CCC[NH2+]C2)nc2cc(Cl)ccc21 ZINC000414844934 428433511 /nfs/dbraw/zinc/43/35/11/428433511.db2.gz RVIWHELKMLNNSO-GFCCVEGCSA-N 2 0 306.841 2.706 20 0 DFADRP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](N[C@@H](C)[C@@H]2CCC[NH2+]C2)C1 ZINC000414847710 428433985 /nfs/dbraw/zinc/43/39/85/428433985.db2.gz FXZAFIFUGAEEOB-QFHJOOASSA-N 2 0 301.478 2.800 20 0 DFADRP C[C@H]([NH2+]Cc1cc(Cl)c2c(c1)OCCCO2)[C@@H]1CCC[NH2+]C1 ZINC000414858313 428435678 /nfs/dbraw/zinc/43/56/78/428435678.db2.gz RIFBFNYABMBPHZ-GXTWGEPZSA-N 2 0 324.852 2.979 20 0 DFADRP [NH3+]C[C@H](NC1CC[NH+](CCC(F)(F)F)CC1)C1CCCCC1 ZINC000414856348 428436334 /nfs/dbraw/zinc/43/63/34/428436334.db2.gz YPMPXTRSUVRESB-HNNXBMFYSA-N 2 0 321.431 2.900 20 0 DFADRP [NH3+]C1(CNC2CC[NH+](Cc3ccncc3)CC2)CCCCCC1 ZINC000414861864 428436797 /nfs/dbraw/zinc/43/67/97/428436797.db2.gz TYYNPVJWTXNKAH-UHFFFAOYSA-N 2 0 316.493 2.687 20 0 DFADRP CC[N@@H+]1CC[C@H](N(C)Cc2cc(-c3cccnc3)n[nH]2)[C@@H](C)C1 ZINC000372403463 428439952 /nfs/dbraw/zinc/43/99/52/428439952.db2.gz DCUSKCCOIUBAHG-KSSFIOAISA-N 2 0 313.449 2.634 20 0 DFADRP c1ccc2c(c1)C=C(CN1C[C@@H]3C[N@@H+]4CCCC[C@@H]4[C@H]3C1)CO2 ZINC000360791574 428440039 /nfs/dbraw/zinc/44/00/39/428440039.db2.gz OGAYEABNTQUEBN-CEXWTWQISA-N 2 0 310.441 2.879 20 0 DFADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)[C@@H]1CCC[C@@H](C)C1 ZINC000357221101 428440668 /nfs/dbraw/zinc/44/06/68/428440668.db2.gz QMJFTFXXQSTSFO-KZNAEPCWSA-N 2 0 323.525 2.687 20 0 DFADRP C[C@H]([NH3+])C1CC[NH+](Cc2cnc(-c3ccccn3)s2)CC1 ZINC000347094549 428441599 /nfs/dbraw/zinc/44/15/99/428441599.db2.gz HNPQFSQRDVLQRP-LBPRGKRZSA-N 2 0 302.447 2.764 20 0 DFADRP C[C@H]([NH2+]CCCN1CCC(O)CC1)C1CCC(F)(F)CC1 ZINC000353237725 428444995 /nfs/dbraw/zinc/44/49/95/428444995.db2.gz UIYLPWFVDIUFEZ-ZDUSSCGKSA-N 2 0 304.425 2.637 20 0 DFADRP C[C@H](Cc1ccc(Br)c(F)c1)[NH2+]C[C@@H]([NH3+])C1CC1 ZINC000414883306 428445373 /nfs/dbraw/zinc/44/53/73/428445373.db2.gz DIURWZJNOUKGPD-YMTOWFKASA-N 2 0 315.230 2.846 20 0 DFADRP O=C(C[C@@H]1CCC[NH2+]CC1)NCCCCC[NH+]1CCCCC1 ZINC000372415298 428445643 /nfs/dbraw/zinc/44/56/43/428445643.db2.gz GDDJSJMTDJPCJX-QGZVFWFLSA-N 2 0 309.498 2.539 20 0 DFADRP CN(CC(C)(C)C[N@H+](C)Cc1ccccc1)C1CC[NH2+]CC1 ZINC000347103289 428447313 /nfs/dbraw/zinc/44/73/13/428447313.db2.gz MJKXQKJXXIYYGR-UHFFFAOYSA-N 3 0 303.494 2.828 20 0 DFADRP C[C@]1(C[NH2+]Cc2c[nH]nc2-c2c(F)cccc2F)CCC[NH2+]C1 ZINC000414899115 428448953 /nfs/dbraw/zinc/44/89/53/428448953.db2.gz GYADYHFUUFWLEK-KRWDZBQOSA-N 2 0 320.387 2.834 20 0 DFADRP C[C@H](CC[NH3+])[NH2+]Cc1cn(-c2ccccc2)nc1-c1ccncc1 ZINC000414895146 428449157 /nfs/dbraw/zinc/44/91/57/428449157.db2.gz MLEJKEQCOJYIMH-OAHLLOKOSA-N 2 0 321.428 2.761 20 0 DFADRP C[C@H](Cc1ccc(Br)cc1F)[NH2+]CCCC[NH3+] ZINC000414898812 428449363 /nfs/dbraw/zinc/44/93/63/428449363.db2.gz FBOUJJVCLNHZEF-SNVBAGLBSA-N 2 0 303.219 2.848 20 0 DFADRP COc1cc(C[NH2+]C[C@@]2(C)CCC[NH2+]C2)ccc1OC(C)C ZINC000414901932 428449532 /nfs/dbraw/zinc/44/95/32/428449532.db2.gz JYEKZPUIXDRNBP-SFHVURJKSA-N 2 0 306.450 2.962 20 0 DFADRP CCCOc1ccc(C[NH2+]C[C@]2(C)CCC[NH2+]C2)cc1OC ZINC000414905356 428452180 /nfs/dbraw/zinc/45/21/80/428452180.db2.gz ONJRLUFBEGDSQB-GOSISDBHSA-N 2 0 306.450 2.963 20 0 DFADRP CC(C)[C@H]([NH3+])CC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000379644471 428452391 /nfs/dbraw/zinc/45/23/91/428452391.db2.gz CIAWWLQWKFCLFH-RYQLBKOJSA-N 2 0 317.477 2.529 20 0 DFADRP CC(C)[C@H]([NH3+])CC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000379644468 428452407 /nfs/dbraw/zinc/45/24/07/428452407.db2.gz CIAWWLQWKFCLFH-BPQIPLTHSA-N 2 0 317.477 2.529 20 0 DFADRP C[NH2+]CC1CC[NH+](Cc2c(C(C)C)nc3sc(C)nn23)CC1 ZINC000347119057 428453426 /nfs/dbraw/zinc/45/34/26/428453426.db2.gz YAAJZXVAKIPBRW-UHFFFAOYSA-N 2 0 321.494 2.654 20 0 DFADRP Fc1ccc(CC[NH+]2CCC(NCC[C@H]3CCC[NH2+]3)CC2)cc1 ZINC000414910983 428455451 /nfs/dbraw/zinc/45/54/51/428455451.db2.gz WABTZAUIGXXXNT-GOSISDBHSA-N 3 0 319.468 2.564 20 0 DFADRP [NH3+][C@H]1CCC[C@@H](NC2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000414910480 428455625 /nfs/dbraw/zinc/45/56/25/428455625.db2.gz CWVVMCQWEUXFCP-PKOBYXMFSA-N 3 0 301.478 2.553 20 0 DFADRP CCc1ccc(CC[N@H+]2CC[C@@H](N3CC[NH+](CC)CC3)C2)cc1 ZINC000360834439 428455760 /nfs/dbraw/zinc/45/57/60/428455760.db2.gz JZNUNPBVTSFAJU-HXUWFJFHSA-N 2 0 315.505 2.503 20 0 DFADRP CSc1cc(Br)ccc1C[NH2+]C[C@@H]1CC[NH2+]C1 ZINC000414919127 428456566 /nfs/dbraw/zinc/45/65/66/428456566.db2.gz WDRFIQOABVQCAL-SNVBAGLBSA-N 2 0 315.280 2.870 20 0 DFADRP CCc1ccc(CC[N@H+]2CC[C@H](N3CC[NH+](CC)CC3)C2)cc1 ZINC000360834438 428457052 /nfs/dbraw/zinc/45/70/52/428457052.db2.gz JZNUNPBVTSFAJU-FQEVSTJZSA-N 2 0 315.505 2.503 20 0 DFADRP Cc1cnc(CN2CCC[N@@H+](Cc3ccccc3)C[C@@H]2C)n1C ZINC000342790841 428459001 /nfs/dbraw/zinc/45/90/01/428459001.db2.gz NEHRFCZSGFVQGN-KRWDZBQOSA-N 2 0 312.461 2.825 20 0 DFADRP [NH3+][C@H]1CCC[C@@H]([NH2+]Cc2ccccc2OCC(F)(F)F)C1 ZINC000414929805 428459397 /nfs/dbraw/zinc/45/93/97/428459397.db2.gz SCQLTHNRTUEINI-QWHCGFSZSA-N 2 0 302.340 2.987 20 0 DFADRP [NH3+][C@H]1CCC[C@@H]([NH2+]Cc2ccc(Br)cc2F)C1 ZINC000414927981 428460466 /nfs/dbraw/zinc/46/04/66/428460466.db2.gz PSNGIMFBGVZFAW-NWDGAFQWSA-N 2 0 301.203 2.948 20 0 DFADRP COc1ccc(Br)cc1C[NH2+][C@H]1CCC[C@H]([NH3+])C1 ZINC000414929532 428460629 /nfs/dbraw/zinc/46/06/29/428460629.db2.gz RQCQXFHXJRDTPT-STQMWFEESA-N 2 0 313.239 2.817 20 0 DFADRP COc1ccc2c(c1)CC[N@@H+](CCC[NH+]1CCCCC1)CC2 ZINC000372549057 428461759 /nfs/dbraw/zinc/46/17/59/428461759.db2.gz XCCPTQPZYQXWOM-UHFFFAOYSA-N 2 0 302.462 2.972 20 0 DFADRP CCCCOc1cc(C[NH2+][C@H]2CC[NH2+]C[C@H]2C)ccc1OC ZINC000414952675 428469302 /nfs/dbraw/zinc/46/93/02/428469302.db2.gz IOMWCMVNVZIWEP-ZBFHGGJFSA-N 2 0 306.450 2.962 20 0 DFADRP Cc1ccc(NC(=O)C[C@H](C)[NH2+][C@H]2CCC[C@@H]2C[NH3+])c(C)c1 ZINC000414798473 428415383 /nfs/dbraw/zinc/41/53/83/428415383.db2.gz JGGNCSQPHHJSHV-UXLLHSPISA-N 2 0 303.450 2.738 20 0 DFADRP [NH3+]C[C@H]1CCCC[C@H]1[NH2+]Cc1ccc(-n2ccnc2)c(F)c1 ZINC000414804234 428416045 /nfs/dbraw/zinc/41/60/45/428416045.db2.gz OKZCLFURZAXTBG-GDBMZVCRSA-N 2 0 302.397 2.619 20 0 DFADRP C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)[C@@]12C[NH2+]C[C@H]1CCCC2 ZINC000357172558 428418188 /nfs/dbraw/zinc/41/81/88/428418188.db2.gz IMDNRSFULBGEIZ-LMMKCTJWSA-N 2 0 321.509 2.537 20 0 DFADRP COc1cc2c(cc1C[NH2+][C@@H]1CCCC[C@H]1C[NH3+])O[C@@H](C)C2 ZINC000414808761 428418415 /nfs/dbraw/zinc/41/84/15/428418415.db2.gz SSTKKZCTNKBJJD-HEHGZKQESA-N 2 0 304.434 2.626 20 0 DFADRP CC(C)n1ncc2cc(C[N@@H+]3CCC[C@@H]([C@@H](C)[NH3+])C3)cnc21 ZINC000347037858 428418645 /nfs/dbraw/zinc/41/86/45/428418645.db2.gz FZTKGPDDKVXUNC-UKRRQHHQSA-N 2 0 301.438 2.571 20 0 DFADRP CCC(C)(C)[NH2+][C@@H](C)C(=O)NCCCC[NH+]1CCC(C)CC1 ZINC000347037909 428419174 /nfs/dbraw/zinc/41/91/74/428419174.db2.gz HCMNJYVEXBAERP-INIZCTEOSA-N 2 0 311.514 2.781 20 0 DFADRP FC(F)(F)Oc1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000414819309 428421602 /nfs/dbraw/zinc/42/16/02/428421602.db2.gz YKRPRPUOCVTLAO-FUNVUKJBSA-N 2 0 300.324 2.958 20 0 DFADRP COc1cc(C[NH2+][C@H]2CCCC[C@@H]2C[NH3+])ccc1OC(F)F ZINC000414814172 428421731 /nfs/dbraw/zinc/42/17/31/428421731.db2.gz ZBKWFCXIZVTWKV-OLZOCXBDSA-N 2 0 314.376 2.904 20 0 DFADRP COc1cc(C[NH2+][C@@H]2CCCC[C@@H]2C[NH3+])ccc1OC(F)F ZINC000414814170 428421862 /nfs/dbraw/zinc/42/18/62/428421862.db2.gz ZBKWFCXIZVTWKV-CHWSQXEVSA-N 2 0 314.376 2.904 20 0 DFADRP COc1cc(C[NH2+]Cc2ccc([C@@H](C)[NH3+])cc2)cc(OC)c1O ZINC000414817805 428421944 /nfs/dbraw/zinc/42/19/44/428421944.db2.gz TXNZNMNYHHCMOF-GFCCVEGCSA-N 2 0 316.401 2.719 20 0 DFADRP C[C@H]1CN(CC(C)(C)C[N@H+](C)Cc2ccccc2)CC[C@@H]1[NH3+] ZINC000347045686 428422678 /nfs/dbraw/zinc/42/26/78/428422678.db2.gz NXEXPSMBBVBMKO-WMZOPIPTSA-N 2 0 303.494 2.814 20 0 DFADRP CCCOc1ccc(C[NH2+]C[C@@H]2CCC[NH2+]C2)cc1OCC ZINC000414822932 428423883 /nfs/dbraw/zinc/42/38/83/428423883.db2.gz DAXCUWNIDCHAAC-MRXNPFEDSA-N 2 0 306.450 2.963 20 0 DFADRP CCOC(=O)[C@@H](CC)[N@H+](C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000378540902 428424025 /nfs/dbraw/zinc/42/40/25/428424025.db2.gz QZXKBEGGMUSTLM-QGZVFWFLSA-N 2 0 319.449 2.572 20 0 DFADRP Fc1ccc(C[NH2+]C[C@@H]2CCC[NH2+]C2)cc1Br ZINC000414826105 428424620 /nfs/dbraw/zinc/42/46/20/428424620.db2.gz IMIICRXJBRJGMQ-LLVKDONJSA-N 2 0 301.203 2.677 20 0 DFADRP CSC1(C[NH2+]Cc2cnc3cc(C)ccn23)CC[NH+](C)CC1 ZINC000353193017 428425622 /nfs/dbraw/zinc/42/56/22/428425622.db2.gz NIXJDCICGWPVRH-UHFFFAOYSA-N 2 0 318.490 2.560 20 0 DFADRP Fc1cc(Br)ccc1C[NH2+]CC[C@H]1CC[NH2+]C1 ZINC000414829951 428426568 /nfs/dbraw/zinc/42/65/68/428426568.db2.gz LKAAUXDLSPOPPM-SNVBAGLBSA-N 2 0 301.203 2.677 20 0 DFADRP C[NH2+]C[C@H](C)C[NH2+]Cc1ccc(-n2cnc3ccccc32)cc1 ZINC000414831217 428426926 /nfs/dbraw/zinc/42/69/26/428426926.db2.gz CSUQKZQDGWUJNL-HNNXBMFYSA-N 2 0 308.429 2.971 20 0 DFADRP C[NH+](C)[C@@H]1CCc2ccccc2[C@@H]1N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000360758269 428427246 /nfs/dbraw/zinc/42/72/46/428427246.db2.gz GCKRYMIMYZFUFM-LFGUQSLTSA-N 2 0 313.489 2.821 20 0 DFADRP C[NH2+]C[C@@H](C)C[NH2+][C@H](C)Cc1ccc(Br)c(F)c1 ZINC000414829872 428427754 /nfs/dbraw/zinc/42/77/54/428427754.db2.gz BOWVPIVVNKDZIA-GHMZBOCLSA-N 2 0 317.246 2.964 20 0 DFADRP C[C@H](c1ccccc1)N1CC[C@@H]([NH2+]CC[C@H]2CCC[NH2+]C2)C1 ZINC000414838070 428428940 /nfs/dbraw/zinc/42/89/40/428428940.db2.gz KSFDHEFAPHOYOF-ZHALLVOQSA-N 2 0 301.478 2.801 20 0 DFADRP Clc1ccc(CN2CCC([NH2+]CC[C@@H]3CC[NH2+]C3)CC2)cc1 ZINC000414841014 428429416 /nfs/dbraw/zinc/42/94/16/428429416.db2.gz XNHWEMPWFOITTR-HNNXBMFYSA-N 2 0 321.896 2.894 20 0 DFADRP [NH3+][C@@H](CNC1CC[NH+](CCc2ccccc2)CC1)c1ccccc1 ZINC000414841523 428429767 /nfs/dbraw/zinc/42/97/67/428429767.db2.gz YCXXRQMTDIYTIE-NRFANRHFSA-N 2 0 323.484 2.983 20 0 DFADRP C[NH2+]C[C@H](C)C[NH2+]C1CCN(Cc2ccccc2Cl)CC1 ZINC000414840793 428431396 /nfs/dbraw/zinc/43/13/96/428431396.db2.gz NKIXAMQRYBAQIR-AWEZNQCLSA-N 2 0 309.885 2.750 20 0 DFADRP C[C@H](NC1CC[NH+](CCc2ccccc2)CC1)[C@@H]1CCC[NH2+]C1 ZINC000414847583 428432765 /nfs/dbraw/zinc/43/27/65/428432765.db2.gz FUTVUJMSRHRFRQ-PKOBYXMFSA-N 2 0 315.505 2.671 20 0 DFADRP C[N@H+]1CC=C(C[NH2+][C@H]2CCC[C@H]2CNC(=O)OC(C)(C)C)CC1 ZINC000392201800 428480875 /nfs/dbraw/zinc/48/08/75/428480875.db2.gz JOGUESHMPXDKFH-HOTGVXAUSA-N 2 0 323.481 2.531 20 0 DFADRP COc1ccc(NC(=O)C[C@H](C)[NH2+]C[C@@H]2CCC[C@@H]([NH3+])C2)cc1 ZINC000414994376 428483393 /nfs/dbraw/zinc/48/33/93/428483393.db2.gz DIKSIEIDEOBRDQ-RRFJBIMHSA-N 2 0 319.449 2.519 20 0 DFADRP C[C@H](c1ccccc1)N1CC[C@H]([NH2+]C[C@@H]2CCC[C@H]([NH3+])C2)C1 ZINC000414996629 428483637 /nfs/dbraw/zinc/48/36/37/428483637.db2.gz GNMSYEKUUSLQDI-FPAYPSAMSA-N 2 0 301.478 2.929 20 0 DFADRP COc1cccc2c1CC[C@@H]([NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1)C2 ZINC000415003700 428486112 /nfs/dbraw/zinc/48/61/12/428486112.db2.gz GKXYNUJDSJQYHR-BPQIPLTHSA-N 2 0 300.446 2.530 20 0 DFADRP [NH3+][C@H]1CCC[C@@H](C[NH2+]Cc2cnc(-c3ccncc3)s2)C1 ZINC000415005525 428487315 /nfs/dbraw/zinc/48/73/15/428487315.db2.gz ZKDHNMOFVSEEFG-OCCSQVGLSA-N 2 0 302.447 2.812 20 0 DFADRP Cc1ncc(C[NH2+][C@@H]2C[C@H]2C2CC[NH2+]CC2)n1-c1ccccc1 ZINC000415010773 428488866 /nfs/dbraw/zinc/48/88/66/428488866.db2.gz PVEVPSOEADMXKG-RBUKOAKNSA-N 2 0 310.445 2.658 20 0 DFADRP COCC[C@H](Cc1cccc(F)c1)[NH2+]C[C@H]1CCC[C@@H]([NH3+])C1 ZINC000415006711 428489145 /nfs/dbraw/zinc/48/91/45/428489145.db2.gz QQMXDCJBSAOZKY-CGTJXYLNSA-N 2 0 308.441 2.880 20 0 DFADRP COc1ccc([C@H](C)C[NH+]2CCC([N@H+](C)C[C@H](C)O)CC2)cc1 ZINC000342919311 428490622 /nfs/dbraw/zinc/49/06/22/428490622.db2.gz UCDJGASLHKXKLE-CVEARBPZSA-N 2 0 320.477 2.576 20 0 DFADRP CC[N@H+](CCN[C@@H]1CC[NH+](Cc2ccccn2)C[C@H]1C)C(C)C ZINC000360922032 428491218 /nfs/dbraw/zinc/49/12/18/428491218.db2.gz LMDZJKXCJFTFBP-IEBWSBKVSA-N 2 0 318.509 2.612 20 0 DFADRP C[C@@H]([NH3+])[C@@H](C)[NH2+][C@H](C)Cc1ccc(Br)cc1F ZINC000415023288 428491674 /nfs/dbraw/zinc/49/16/74/428491674.db2.gz WNTMETLMVSGETL-OPRDCNLKSA-N 2 0 303.219 2.845 20 0 DFADRP c1nn(Cc2ccccc2)cc1C[NH+]1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000347200661 428492441 /nfs/dbraw/zinc/49/24/41/428492441.db2.gz JWZDPSOZBFRXGJ-FQEVSTJZSA-N 2 0 324.472 2.895 20 0 DFADRP [NH3+]C[C@H]1CC[C@@H]([NH2+]Cc2cc(Cl)c3c(c2)OCCCO3)C1 ZINC000415027591 428492546 /nfs/dbraw/zinc/49/25/46/428492546.db2.gz BEXFQQXOOIAKRM-WCQYABFASA-N 2 0 310.825 2.718 20 0 DFADRP CCC[NH+](CCC)CCCNC(=O)Nc1ccn2ccnc2c1 ZINC000353342168 428493204 /nfs/dbraw/zinc/49/32/04/428493204.db2.gz AVKXFWQBOCJKJC-UHFFFAOYSA-N 2 0 317.437 2.968 20 0 DFADRP [NH3+]C[C@H]1CC[C@H]([NH2+]Cc2c(F)cccc2Br)C1 ZINC000415029975 428493624 /nfs/dbraw/zinc/49/36/24/428493624.db2.gz FJDRAXZPWRRCCV-UWVGGRQHSA-N 2 0 301.203 2.805 20 0 DFADRP C[C@H](CC(=O)Nc1cccc(Cl)c1)[NH2+][C@@H]1CC[C@H](C[NH3+])C1 ZINC000415027868 428493902 /nfs/dbraw/zinc/49/39/02/428493902.db2.gz BUMFWNVIJKKCSO-TYNCELHUSA-N 2 0 309.841 2.774 20 0 DFADRP [NH3+]C[C@H]1CC[C@@H]([NH2+]Cc2ccccc2OCc2cccnc2)C1 ZINC000415029947 428494032 /nfs/dbraw/zinc/49/40/32/428494032.db2.gz FENYKFXETKOOIU-MAUKXSAKSA-N 2 0 311.429 2.878 20 0 DFADRP Cn1cc(C[NH2+][C@H]2CC[C@@H](C[NH3+])C2)c(-c2ccccc2Cl)n1 ZINC000415035556 428495670 /nfs/dbraw/zinc/49/56/70/428495670.db2.gz KUIBYOHEHKPJTH-OCCSQVGLSA-N 2 0 318.852 2.958 20 0 DFADRP COc1cccc(C[NH+]2CCC([C@H](C)[NH3+])CC2)c1OC(F)F ZINC000347213268 428495783 /nfs/dbraw/zinc/49/57/83/428495783.db2.gz PJXZBZVBWKMYQE-NSHDSACASA-N 2 0 314.376 2.856 20 0 DFADRP [NH3+]C[C@H]1CC[C@H]([NH2+]Cc2ccc(OCC(F)(F)F)cc2)C1 ZINC000415037451 428496015 /nfs/dbraw/zinc/49/60/15/428496015.db2.gz MKIYHPNLAFLXRK-STQMWFEESA-N 2 0 302.340 2.845 20 0 DFADRP Clc1ccccc1[C@@H]1CCC[C@@H]1[NH2+]C[C@H]1C[NH2+]CCCO1 ZINC000415046234 428497442 /nfs/dbraw/zinc/49/74/42/428497442.db2.gz URUQTFAHDAYJMG-KMFMINBZSA-N 2 0 308.853 2.944 20 0 DFADRP CCc1ccccc1NC(=O)C[C@H](C)[NH2+][C@@H]1CC[C@H](C[NH3+])C1 ZINC000415046391 428498193 /nfs/dbraw/zinc/49/81/93/428498193.db2.gz VENQMKQOSXBTLS-OFQRWUPVSA-N 2 0 303.450 2.683 20 0 DFADRP C[C@@H](Cc1cccc(C(F)(F)F)c1)[NH2+]C[C@@H]1C[NH2+]CCCO1 ZINC000415044583 428498199 /nfs/dbraw/zinc/49/81/99/428498199.db2.gz SFXSYKYEYQFFRB-WFASDCNBSA-N 2 0 316.367 2.605 20 0 DFADRP Cc1ccccc1[C@@H](C)[NH2+][C@@H](CC(C)C)C(=O)NCC[NH+](C)C ZINC000347219917 428499016 /nfs/dbraw/zinc/49/90/16/428499016.db2.gz DASUDVCTVZAYOC-AEFFLSMTSA-N 2 0 319.493 2.738 20 0 DFADRP C[C@@H]1CN([C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)C[C@@]1(C)C[NH3+] ZINC000415057242 428502594 /nfs/dbraw/zinc/50/25/94/428502594.db2.gz PKTLMSKFYZUZEX-IZBJGVDFSA-N 2 0 315.505 2.956 20 0 DFADRP CCC(C)(C)[NH2+][C@H](C)C(=O)N1CC[NH+](C2CCCCC2)CC1 ZINC000357369610 428503106 /nfs/dbraw/zinc/50/31/06/428503106.db2.gz VLQSJJRESZENKZ-OAHLLOKOSA-N 2 0 309.498 2.630 20 0 DFADRP CCC(C)(C)[NH2+][C@@H](C)C(=O)N1CC[NH+](C2CCCCC2)CC1 ZINC000357369609 428503131 /nfs/dbraw/zinc/50/31/31/428503131.db2.gz VLQSJJRESZENKZ-HNNXBMFYSA-N 2 0 309.498 2.630 20 0 DFADRP Cc1ccc(C[NH2+]C2CCC([NH+]3CCNCC3)CC2)cc1Cl ZINC000415058154 428505121 /nfs/dbraw/zinc/50/51/21/428505121.db2.gz SSVGGRPVNZECCV-UHFFFAOYSA-N 2 0 321.896 2.954 20 0 DFADRP C[C@@H](Cc1ccc(F)cc1)[NH2+]C1CCC([NH+]2CCNCC2)CC1 ZINC000415060700 428506241 /nfs/dbraw/zinc/50/62/41/428506241.db2.gz XIMUDRMDZXUIGI-MNNVXMFVSA-N 2 0 319.468 2.563 20 0 DFADRP C[C@@H]1C[C@H](C)[N@H+](CCC(=O)Nc2ccccc2Cl)C[C@@H]1C[NH3+] ZINC000397338211 428509773 /nfs/dbraw/zinc/50/97/73/428509773.db2.gz CLDUSZJNSPYPAX-RDBSUJKOSA-N 2 0 323.868 2.974 20 0 DFADRP CC[NH+](CC)[C@H](C(=O)N[C@@H]1CC[N@H+](C)[C@@H](C)C1)c1ccccc1 ZINC000357391150 428511462 /nfs/dbraw/zinc/51/14/62/428511462.db2.gz LNOBPASBDRFTME-JQHSSLGASA-N 2 0 317.477 2.668 20 0 DFADRP CC1CCN(c2ccc(C[NH2+]C[C@@H]3CC[NH2+][C@@H](C)C3)cn2)CC1 ZINC000415080128 428512055 /nfs/dbraw/zinc/51/20/55/428512055.db2.gz IVUMVVAKOIHPFO-DLBZAZTESA-N 2 0 316.493 2.796 20 0 DFADRP C[N@H+](CCN[C@H]1CC[NH2+][C@@H](c2ccccc2)C1)C1CCCC1 ZINC000415079788 428512160 /nfs/dbraw/zinc/51/21/60/428512160.db2.gz KPDWHCUJOMGHEL-PKOBYXMFSA-N 2 0 301.478 2.944 20 0 DFADRP Clc1ccccc1N1CCC[C@@H]([NH2+]CC2CC[NH2+]CC2)C1 ZINC000415076501 428512321 /nfs/dbraw/zinc/51/23/21/428512321.db2.gz CQMOVCVAYTVMBI-OAHLLOKOSA-N 2 0 307.869 2.898 20 0 DFADRP Cc1cc(C)n(-c2ccccc2C[NH2+]C[C@@H]2CC[NH2+][C@@H](C)C2)n1 ZINC000415081427 428512747 /nfs/dbraw/zinc/51/27/47/428512747.db2.gz BVJZUJAINPXZDY-WMLDXEAASA-N 2 0 312.461 2.967 20 0 DFADRP c1nn(-c2ccccc2)cc1CC[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000415078765 428513213 /nfs/dbraw/zinc/51/32/13/428513213.db2.gz GYEZOCOROHDESQ-XUVXKRRUSA-N 2 0 324.472 2.925 20 0 DFADRP C[C@@H]1C[C@H](C[NH2+]CC2CC[NH+](Cc3ccccc3)CC2)CC[NH2+]1 ZINC000415082638 428513260 /nfs/dbraw/zinc/51/32/60/428513260.db2.gz DKXLZBCMISXERP-YLJYHZDGSA-N 3 0 315.505 2.876 20 0 DFADRP CC(C)[C@@H]([NH2+]C[C@H]1CCC[NH2+]C1)c1ccc2c(c1)OCCO2 ZINC000415081283 428513582 /nfs/dbraw/zinc/51/35/82/428513582.db2.gz MOOJNLQGPSAOIV-KBXCAEBGSA-N 2 0 304.434 2.744 20 0 DFADRP C[C@H](C[C@H]1CCC[NH2+]1)[NH2+][C@H]1CCN(c2c(F)cccc2F)C1 ZINC000415087398 428514661 /nfs/dbraw/zinc/51/46/61/428514661.db2.gz TUDWMZFHPQLPFA-MCIONIFRSA-N 2 0 309.404 2.664 20 0 DFADRP Cc1ccc(C[NH+]2CCN(C[C@H]3CCCC[N@H+]3C)CC2)c(C)c1 ZINC000353388242 428514965 /nfs/dbraw/zinc/51/49/65/428514965.db2.gz MSVITGHAJRVFQZ-HXUWFJFHSA-N 2 0 315.505 2.905 20 0 DFADRP C[C@@H]1C[C@H](C[NH2+][C@@H](c2ccn(C)n2)c2ccc(F)cc2)CC[NH2+]1 ZINC000415089679 428515660 /nfs/dbraw/zinc/51/56/60/428515660.db2.gz ZGCSLAVFPIWDKO-HBUWYVDXSA-N 2 0 316.424 2.626 20 0 DFADRP C[N@@H+]1CC[C@H]([NH2+]CCOc2ccc(F)cc2F)[C@@H]2CCC[C@@H]21 ZINC000353392373 428517341 /nfs/dbraw/zinc/51/73/41/428517341.db2.gz GIXFAAMXRQXSHF-BPUTZDHNSA-N 2 0 310.388 2.806 20 0 DFADRP CC(C)C[C@@H]([NH2+][C@@H](C)c1ccc(F)cc1)C(=O)NCC[NH+](C)C ZINC000347259209 428518282 /nfs/dbraw/zinc/51/82/82/428518282.db2.gz YIERGCSGNNTZMB-WMLDXEAASA-N 2 0 323.456 2.569 20 0 DFADRP Cc1ccc(CCC[NH+]2CCC([C@H]3OCCC[C@H]3[NH3+])CC2)cn1 ZINC000415106855 428521616 /nfs/dbraw/zinc/52/16/16/428521616.db2.gz JZBPJSIOBIBCLB-RTBURBONSA-N 2 0 317.477 2.541 20 0 DFADRP Fc1ccc(CN2CCC([NH2+]CC3CC[NH2+]CC3)CC2)cc1F ZINC000415102063 428521829 /nfs/dbraw/zinc/52/18/29/428521829.db2.gz JBSQRYJAZZVTPD-UHFFFAOYSA-N 2 0 323.431 2.518 20 0 DFADRP C[N@@H+]1CCC[C@@H](N2CC[NH+](CC(C)(C)c3ccccc3)CC2)C1 ZINC000373213760 428523042 /nfs/dbraw/zinc/52/30/42/428523042.db2.gz AHWYFSGRXJONQS-LJQANCHMSA-N 2 0 315.505 2.676 20 0 DFADRP Cc1nn(C)c(C)c1C[C@H](C)[NH2+][C@@H](C)C[C@@H]1CCCCC[NH2+]1 ZINC000415113813 428524771 /nfs/dbraw/zinc/52/47/71/428524771.db2.gz SQRVFNXRVMCMFX-ZQIUZPCESA-N 2 0 306.498 2.868 20 0 DFADRP C[C@@H]1C[C@H](C[NH+]2CCC3(CC2)OCCc2ccccc23)CC[NH2+]1 ZINC000415109881 428525248 /nfs/dbraw/zinc/52/52/48/428525248.db2.gz SAHPYIGAHLMBST-IAGOWNOFSA-N 2 0 314.473 2.939 20 0 DFADRP CCOc1ccc(C[NH+]2CCC([C@@H]3C[C@H]([NH3+])CCO3)CC2)cc1 ZINC000415121254 428526509 /nfs/dbraw/zinc/52/65/09/428526509.db2.gz HWDZWBSNPBZWLL-MJGOQNOKSA-N 2 0 318.461 2.804 20 0 DFADRP COc1cc(CN2CC[C@H](C)[C@@H](C[NH3+])C2)c(SC)cc1OC ZINC000415121965 428527446 /nfs/dbraw/zinc/52/74/46/428527446.db2.gz HWFPWWDPZPPKEU-JSGCOSHPSA-N 2 0 324.490 2.842 20 0 DFADRP C[C@H]1CC[N@H+](Cc2ccc(-c3cnn(C)c3)s2)C[C@@H]1C[NH3+] ZINC000415123731 428528520 /nfs/dbraw/zinc/52/85/20/428528520.db2.gz JOKRTKNPTAONIW-STQMWFEESA-N 2 0 304.463 2.565 20 0 DFADRP C[C@H](Cc1ccccc1Br)[NH2+]C[C@@H]1CCC[NH2+]C1 ZINC000415124841 428529056 /nfs/dbraw/zinc/52/90/56/428529056.db2.gz RRDPOEUNSDDMTP-CHWSQXEVSA-N 2 0 311.267 2.969 20 0 DFADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]CCc1cn2ccccc2n1 ZINC000415122158 428530311 /nfs/dbraw/zinc/53/03/11/428530311.db2.gz ZYZQNOADOYENOQ-CVEARBPZSA-N 2 0 300.450 2.777 20 0 DFADRP C[C@H]1C[NH2+]CC[C@H]1[NH2+]Cc1ccc(OCc2ccncc2)cc1 ZINC000414960443 428472550 /nfs/dbraw/zinc/47/25/50/428472550.db2.gz QSRBZYVCLWHJEX-HNAYVOBHSA-N 2 0 311.429 2.748 20 0 DFADRP C[C@H]1C[NH2+]CC[C@H]1[NH2+]Cc1cn(C)nc1-c1ccccc1Cl ZINC000414965684 428475305 /nfs/dbraw/zinc/47/53/05/428475305.db2.gz VTSXEDHMJKSFCC-BLLLJJGKSA-N 2 0 318.852 2.828 20 0 DFADRP OC1(C[NH2+]C[C@H]2CCC[N@H+](Cc3ccccc3)C2)CCCC1 ZINC000390773600 428476515 /nfs/dbraw/zinc/47/65/15/428476515.db2.gz LHAQDOSBKQSNQO-GOSISDBHSA-N 2 0 302.462 2.793 20 0 DFADRP C[N@H+](CCN1CC[NH2+]CC1)Cc1ccc(-c2ccccc2)cc1 ZINC000391053664 428477273 /nfs/dbraw/zinc/47/72/73/428477273.db2.gz LUHIRSMQJRCXPS-UHFFFAOYSA-N 2 0 309.457 2.691 20 0 DFADRP COCC1(C[NH2+][C@@H]2C[C@H](c3ccccc3)[C@@H]2C)CC[NH2+]CC1 ZINC000414976166 428478666 /nfs/dbraw/zinc/47/86/66/428478666.db2.gz OWSXAEYKGMNDNA-RYQLBKOJSA-N 2 0 302.462 2.784 20 0 DFADRP FC(F)(F)COc1ccc(CN(C2CC2)[C@H]2CC[NH2+]C2)cc1 ZINC000347168273 428478812 /nfs/dbraw/zinc/47/88/12/428478812.db2.gz MEPBQVTZMZOWMQ-AWEZNQCLSA-N 2 0 314.351 2.954 20 0 DFADRP CC[C@H](C(=O)N[C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1)[NH+](CC)CC ZINC000358123509 428583936 /nfs/dbraw/zinc/58/39/36/428583936.db2.gz MVWIQEPVDJLRFK-JFIYKMOQSA-N 2 0 323.525 2.876 20 0 DFADRP CC[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](C(C)C)C1)C1(C(=O)OC)CCC1 ZINC000353542950 428585937 /nfs/dbraw/zinc/58/59/37/428585937.db2.gz NXLZRJDDIVEDEA-JKSUJKDBSA-N 2 0 310.482 2.818 20 0 DFADRP Cc1ccc(C)c(C[N@@H+]2CC3(CC[NH2+]CC3)[C@@H]3COC[C@@H]32)c1 ZINC000415138003 428534229 /nfs/dbraw/zinc/53/42/29/428534229.db2.gz UTJMHGVMQBXPTC-MSOLQXFVSA-N 2 0 300.446 2.504 20 0 DFADRP COc1ccc(OC)c(C[NH2+][C@@H]2CC[N@H+](C)[C@@H]3CCC[C@H]32)c1 ZINC000353433970 428534966 /nfs/dbraw/zinc/53/49/66/428534966.db2.gz HSWSVXAHXCRXMS-GVDBMIGSSA-N 2 0 304.434 2.666 20 0 DFADRP C[C@@H]1CC[C@@H]([NH2+]CC2(N)CC[NH+](Cc3ccccc3)CC2)C1 ZINC000415135789 428535302 /nfs/dbraw/zinc/53/53/02/428535302.db2.gz QPVBBCUFTFAGQR-SJLPKXTDSA-N 2 0 301.478 2.758 20 0 DFADRP CC1(C)CCC(C[N@@H+]2CC3(CC[NH2+]CC3)[C@@H]3COC[C@@H]32)CC1 ZINC000415144559 428537859 /nfs/dbraw/zinc/53/78/59/428537859.db2.gz VLQOIANLCHEEIZ-SJORKVTESA-N 2 0 306.494 2.903 20 0 DFADRP Cc1cccc(C)c1C[N@@H+]1CC2(CC[NH2+]CC2)[C@@H]2COC[C@@H]21 ZINC000415141747 428538266 /nfs/dbraw/zinc/53/82/66/428538266.db2.gz PWZKGIHAQGFAKK-MSOLQXFVSA-N 2 0 300.446 2.504 20 0 DFADRP CC[N@@H+]1CC[C@H]([NH2+][C@H]2CCc3nc(C(C)(C)C)cn3C2)[C@H](C)C1 ZINC000347318248 428543125 /nfs/dbraw/zinc/54/31/25/428543125.db2.gz NALHQSDRFPTEQM-PMPSAXMXSA-N 2 0 318.509 2.815 20 0 DFADRP CC(C)[C@H](C[N@H+](C)Cc1ccccc1)N[C@H](C)[C@@H]1CCC[NH2+]1 ZINC000400454635 428545514 /nfs/dbraw/zinc/54/55/14/428545514.db2.gz RZRALHZIDPUAQX-NEWSRXKRSA-N 2 0 303.494 2.873 20 0 DFADRP COC[C@H](Cc1ccccc1)[NH2+]CCC[NH+]1CCC(C)CC1 ZINC000347320968 428545498 /nfs/dbraw/zinc/54/54/98/428545498.db2.gz JSMDMQONQAUZKN-IBGZPJMESA-N 2 0 304.478 2.956 20 0 DFADRP C[C@H](NC[C@@H]1CCCC[N@H+](Cc2ccccc2)C1)[C@@H]1CC[NH2+]C1 ZINC000400734678 428548625 /nfs/dbraw/zinc/54/86/25/428548625.db2.gz JRKQJLPUCCPSPD-YSIASYRMSA-N 2 0 315.505 2.876 20 0 DFADRP C[NH+](C)C1CCC([NH2+]Cc2cnn(Cc3ccccc3)c2)CC1 ZINC000353464539 428549247 /nfs/dbraw/zinc/54/92/47/428549247.db2.gz QDYWADXSHALKGS-UHFFFAOYSA-N 2 0 312.461 2.894 20 0 DFADRP C[C@@H]1Cc2ccc(F)cc2[C@@H]1[NH2+]CCCC[N@@H+]1CCC[C@H]1CO ZINC000361353826 428560593 /nfs/dbraw/zinc/56/05/93/428560593.db2.gz VDRPDAHJOFEBCZ-DKSSEZFCSA-N 2 0 320.452 2.886 20 0 DFADRP C[C@@H]1CN(C[C@@H]2CC[NH2+]C2)[C@H](C)[C@H](C)[N@@H+]1Cc1ccccc1 ZINC000404334427 428564878 /nfs/dbraw/zinc/56/48/78/428564878.db2.gz BNYYXCOVGQISFU-VXIBKDFQSA-N 2 0 301.478 2.579 20 0 DFADRP CCC[C@@H]([NH2+]C(C)C)C(=O)NC[C@H](C)[N@H+](C)Cc1ccccc1 ZINC000353501361 428568236 /nfs/dbraw/zinc/56/82/36/428568236.db2.gz MOQYKKQJGKLAGK-FUHWJXTLSA-N 2 0 319.493 2.790 20 0 DFADRP C[N@@H+]1CC[C@H](N[C@@H]2CC[NH+](CC3CCCC3)C2)[C@H]2CCC[C@H]21 ZINC000353515262 428572611 /nfs/dbraw/zinc/57/26/11/428572611.db2.gz DGNLMMDKTKEXMB-AKHDSKFASA-N 2 0 305.510 2.713 20 0 DFADRP CC(C)[N@@H+]1CCCN(C(=O)[C@H]2CC[NH+](C3CCCCC3)C2)CC1 ZINC000361523939 428573389 /nfs/dbraw/zinc/57/33/89/428573389.db2.gz HOZNROKHSZSVMC-KRWDZBQOSA-N 2 0 321.509 2.584 20 0 DFADRP C[N@@H+]1CC[C@H]([NH2+][C@H](CCCO)c2ccccc2)[C@H]2CCC[C@H]21 ZINC000353518516 428574843 /nfs/dbraw/zinc/57/48/43/428574843.db2.gz LFOQXWMPTDHURX-AKHDSKFASA-N 2 0 302.462 2.963 20 0 DFADRP CCO[C@@H]1C[N@H+](Cc2ccc(C(F)(F)F)cc2)C[C@H]1C[NH3+] ZINC000405619540 428578022 /nfs/dbraw/zinc/57/80/22/428578022.db2.gz VOPYOEWEQOZCLS-TZMCWYRMSA-N 2 0 302.340 2.501 20 0 DFADRP CC(C)NC(=O)[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[N@H+](C)[C@H]3CCC[C@@H]32)C1 ZINC000353526552 428578141 /nfs/dbraw/zinc/57/81/41/428578141.db2.gz AZWQFNHLSJDISW-ILOCAZANSA-N 2 0 321.509 2.532 20 0 DFADRP CC[N@@H+]1CC[C@H]([NH+](C)C[C@@H](O)CCc2ccccc2)C[C@@H]1C ZINC000347441579 428579371 /nfs/dbraw/zinc/57/93/71/428579371.db2.gz PCPAZOPTUVCFJF-WDSOQIARSA-N 2 0 304.478 2.785 20 0 DFADRP C[C@H]1C[C@@H](C(=O)NC2CC[NH+](CC3CCCCC3)CC2)CC[NH2+]1 ZINC000373514208 428596458 /nfs/dbraw/zinc/59/64/58/428596458.db2.gz IWLIOXVPPBGSEO-RDJZCZTQSA-N 2 0 321.509 2.535 20 0 DFADRP C1C([NH2+][C@@H]2[C@H]3CCO[C@H]3C23CCCC3)CC1[NH+]1CCCCC1 ZINC000373524987 428598315 /nfs/dbraw/zinc/59/83/15/428598315.db2.gz WLSGYETVQZUPKL-NHHFINERSA-N 2 0 304.478 2.941 20 0 DFADRP C[C@H](CNC(=O)c1ccc2c(c1)C[NH2+]C2)[N@H+](C)Cc1ccccc1 ZINC000347530024 428599804 /nfs/dbraw/zinc/59/98/04/428599804.db2.gz NRTXLJAXHPPGGJ-OAHLLOKOSA-N 2 0 323.440 2.540 20 0 DFADRP CC(C)[NH+]1CCC(O)(C[NH2+]C2CCC(C(F)(F)F)CC2)CC1 ZINC000361896944 428603159 /nfs/dbraw/zinc/60/31/59/428603159.db2.gz NUEBWJVTJFIGCW-UHFFFAOYSA-N 2 0 322.415 2.932 20 0 DFADRP CC[NH2+]Cc1cccc(NC(=O)N2CCC[N@@H+](C(C)C)CC2)c1 ZINC000415907913 428622547 /nfs/dbraw/zinc/62/25/47/428622547.db2.gz OJWXBCYPIVQMLN-UHFFFAOYSA-N 2 0 318.465 2.744 20 0 DFADRP CC[NH2+]Cc1cccc(NC(=O)NCC[N@H+](C)[C@H](C)CC)c1 ZINC000415908216 428623194 /nfs/dbraw/zinc/62/31/94/428623194.db2.gz PENVUHJJBXWQBQ-CQSZACIVSA-N 2 0 306.454 2.648 20 0 DFADRP Cc1ccc(C[C@@H](CO)[NH2+]C2CC[NH+](C3CCCC3)CC2)cc1 ZINC000373637424 428624362 /nfs/dbraw/zinc/62/43/62/428624362.db2.gz YZSUKQFWIWUYGE-IBGZPJMESA-N 2 0 316.489 2.895 20 0 DFADRP CC[NH2+]Cc1cccc(NC(=O)NCC[N@H+](C)C2CCCC2)c1 ZINC000415911161 428624484 /nfs/dbraw/zinc/62/44/84/428624484.db2.gz XILAWCHXLAZCFR-UHFFFAOYSA-N 2 0 318.465 2.792 20 0 DFADRP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)Nc1cccc(C[NH2+]C)c1 ZINC000415917668 428626676 /nfs/dbraw/zinc/62/66/76/428626676.db2.gz JQCQGLWGLFZXBL-QGZVFWFLSA-N 2 0 318.465 2.792 20 0 DFADRP CC[NH2+]Cc1ccccc1NC(=O)N[C@H]1C[N@@H+](C(C)C)C[C@H]1C ZINC000415952855 428634799 /nfs/dbraw/zinc/63/47/99/428634799.db2.gz KNGKBODDJGARQY-PBHICJAKSA-N 2 0 318.465 2.646 20 0 DFADRP CC[NH2+]Cc1ccccc1NC(=O)NCC[C@H]1CCC[N@H+](C)C1 ZINC000415936910 428630917 /nfs/dbraw/zinc/63/09/17/428630917.db2.gz XKPWORMDTOBNMW-OAHLLOKOSA-N 2 0 318.465 2.650 20 0 DFADRP COc1cccc(COCC[NH2+][C@@H]2CC[N@H+](C)[C@@H]3CCC[C@H]32)c1 ZINC000353629465 428630936 /nfs/dbraw/zinc/63/09/36/428630936.db2.gz FZDCIJNGKKMXPV-IPMKNSEASA-N 2 0 318.461 2.674 20 0 DFADRP CC[NH2+]Cc1cccc(NC(=O)NCC[N@@H+]2CCCC[C@@H]2C)c1 ZINC000415939203 428633480 /nfs/dbraw/zinc/63/34/80/428633480.db2.gz YWIOQRPVYUILFA-HNNXBMFYSA-N 2 0 318.465 2.792 20 0 DFADRP COCCC[NH+]1CCC([NH2+][C@H]2CCc3ccc(OC)cc32)CC1 ZINC000159092829 274020210 /nfs/dbraw/zinc/02/02/10/274020210.db2.gz BWBFSBCBNZVREN-IBGZPJMESA-N 2 0 318.461 2.773 20 0 DFADRP C[NH+](C)CCOc1cnccc1C[NH2+][C@H]1CCC[C@@H]1CCF ZINC000343934830 428596193 /nfs/dbraw/zinc/59/61/93/428596193.db2.gz OOTFLAQQWRMREK-ZBFHGGJFSA-N 2 0 309.429 2.640 20 0 DFADRP [NH3+]Cc1ccc(NC(=O)NCCCCC[NH+]2CCCC2)cc1 ZINC000415962476 428637482 /nfs/dbraw/zinc/63/74/82/428637482.db2.gz STHFNYJXMJOIMX-UHFFFAOYSA-N 2 0 304.438 2.533 20 0 DFADRP CCC(CC)[C@H](CNC(=O)Nc1ccc(C[NH3+])cc1)[NH+](C)C ZINC000415974960 428639611 /nfs/dbraw/zinc/63/96/11/428639611.db2.gz LNPLIWHMWZRTNV-INIZCTEOSA-N 2 0 306.454 2.633 20 0 DFADRP CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)Nc2ccc(C[NH3+])cc2)C1 ZINC000415974969 428640017 /nfs/dbraw/zinc/64/00/17/428640017.db2.gz LORBTHRNUHRGOW-INIZCTEOSA-N 2 0 318.465 2.635 20 0 DFADRP C[C@@H]1C[C@@H]([NH2+]C[C@](C)(O)C2CC2)CCN1Cc1ccccc1 ZINC000358720773 428642058 /nfs/dbraw/zinc/64/20/58/428642058.db2.gz VTWXNJGTWDIMMT-MNEFBYGVSA-N 2 0 302.462 2.790 20 0 DFADRP CCC[N@H+](CC)Cc1ccc(C(=O)N2CCN(C)C[C@@H]2C)cc1 ZINC000344403684 428635082 /nfs/dbraw/zinc/63/50/82/428635082.db2.gz AMLZONZKRYPSCV-INIZCTEOSA-N 2 0 317.477 2.695 20 0 DFADRP CC[N@@H+]1CC[C@H](N(C)C(=O)Nc2ccc3c(c2)C[NH2+]C3)C[C@@H]1C ZINC000416000283 428647025 /nfs/dbraw/zinc/64/70/25/428647025.db2.gz WQZPERYIIFWAAT-GUYCJALGSA-N 2 0 316.449 2.626 20 0 DFADRP CCN(CCC[NH+]1CCCC1)C(=O)Nc1ccc2c(c1)C[NH2+]C2 ZINC000416017851 428649322 /nfs/dbraw/zinc/64/93/22/428649322.db2.gz WAQRXXISECIFBS-UHFFFAOYSA-N 2 0 316.449 2.630 20 0 DFADRP C(CC[N@@H+]1C[C@@H]2C[NH+]3CCCC[C@@H]3[C@H]2C1)CC1CCOCC1 ZINC000374155067 428665491 /nfs/dbraw/zinc/66/54/91/428665491.db2.gz AASQGWCNUYWOPP-CEXWTWQISA-N 2 0 306.494 2.999 20 0 DFADRP CO[C@]1(C)CCC[N@H+](C[C@@H](C)C[NH+]2CCC[C@](C)(OC)C2)C1 ZINC000348230552 428667410 /nfs/dbraw/zinc/66/74/10/428667410.db2.gz HAOZMGHXOLHDOJ-NNZMDNLPSA-N 2 0 312.498 2.624 20 0 DFADRP c1cn2c(CN[C@@H]3CC[N@@H+]4CCC[C@H]4C3)c(C3CC3)nc2s1 ZINC000362253579 428674265 /nfs/dbraw/zinc/67/42/65/428674265.db2.gz FRQQEBOTFFDAQX-KGLIPLIRSA-N 2 0 316.474 2.990 20 0 DFADRP C[C@H]1C[N@H+](CCCc2ccccc2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000374322235 428675440 /nfs/dbraw/zinc/67/54/40/428675440.db2.gz CLVAKUQSUXLERE-ICSRJNTNSA-N 2 0 315.505 2.577 20 0 DFADRP CC(C)CSCC[NH2+][C@@H]1CC[N@H+](C[C@@H]2CCCO2)C[C@H]1C ZINC000362310687 428699211 /nfs/dbraw/zinc/69/92/11/428699211.db2.gz UZYVQXQOFKXYFN-IXDOHACOSA-N 2 0 314.539 2.855 20 0 DFADRP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccc(-n3cncn3)cc2)C[C@H]1C ZINC000353754716 428699638 /nfs/dbraw/zinc/69/96/38/428699638.db2.gz ZQANNGWIQJCGHW-QAPCUYQASA-N 2 0 313.449 2.572 20 0 DFADRP C[NH+](C)[C@H](CC(=O)NCC[C@H]1CCC[N@H+](C)C1)c1ccccc1 ZINC000416253135 428702135 /nfs/dbraw/zinc/70/21/35/428702135.db2.gz QNPAYKVNJTYJBB-SJLPKXTDSA-N 2 0 317.477 2.528 20 0 DFADRP C[NH+](C)[C@@H](CC(=O)NCc1ccc2c[nH+]cn2c1)c1ccccc1 ZINC000416256653 428702538 /nfs/dbraw/zinc/70/25/38/428702538.db2.gz ZFYYGVNMEWUNFR-SFHVURJKSA-N 2 0 322.412 2.644 20 0 DFADRP CCc1cccc(Cl)c1C[NH2+][C@@H](C)CN1CC[NH+](C)CC1 ZINC000353768214 428704341 /nfs/dbraw/zinc/70/43/41/428704341.db2.gz NNMDKAVWBPOAHE-AWEZNQCLSA-N 2 0 309.885 2.628 20 0 DFADRP C[C@@H](C[N@@H+]1CCN(C2CC[NH+](C)CC2)[C@@H](C)C1)c1ccccc1 ZINC000374610766 428713022 /nfs/dbraw/zinc/71/30/22/428713022.db2.gz HTGLDMLYQFARPW-ROUUACIJSA-N 2 0 315.505 2.890 20 0 DFADRP CC[N@@H+]1CCC[C@@H](CNC(=O)C[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC000416146433 428676997 /nfs/dbraw/zinc/67/69/97/428676997.db2.gz UTVZSYBHESTXBS-WMZOPIPTSA-N 2 0 317.477 2.528 20 0 DFADRP COc1cc(C)c(C[N@H+](C)[C@@H]2CCN(C)[C@@H](C)C2)cc1OC ZINC000353745648 428688280 /nfs/dbraw/zinc/68/82/80/428688280.db2.gz IGYRGTNRUONHCT-GOEBONIOSA-N 2 0 306.450 2.927 20 0 DFADRP CSCC[C@H](CO)[NH2+][C@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000358826719 428695065 /nfs/dbraw/zinc/69/50/65/428695065.db2.gz MMGJWJBILBYTJG-RYQLBKOJSA-N 2 0 322.518 2.743 20 0 DFADRP C[C@@H](c1cccnc1)[NH+]1CCC(C)(C[NH+]2CCOCC2)CC1 ZINC000362308174 428695436 /nfs/dbraw/zinc/69/54/36/428695436.db2.gz BJPCNVXTRNONHW-INIZCTEOSA-N 2 0 303.450 2.577 20 0 DFADRP Cn1nccc1C1C[C@H]2CC[C@@H](C1)[N@H+]2CCC[NH+]1CCCC1 ZINC000374831040 428761210 /nfs/dbraw/zinc/76/12/10/428761210.db2.gz WCHRXHMWDMOWKT-ALOPSCKCSA-N 2 0 302.466 2.616 20 0 DFADRP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]CC1CCN(c2ccccc2)CC1 ZINC000359019185 428775023 /nfs/dbraw/zinc/77/50/23/428775023.db2.gz ZTNSHHOXXSKCKH-VQIMIIECSA-N 2 0 301.478 2.833 20 0 DFADRP CC(C)SCC[NH2+][C@@H]1CC[N@H+](C[C@H]2CCCO2)C[C@H]1C ZINC000374906859 428779459 /nfs/dbraw/zinc/77/94/59/428779459.db2.gz CODANBJQBMIZQB-BZUAXINKSA-N 2 0 300.512 2.607 20 0 DFADRP CCOC(=O)C1(C)CCC([NH2+]CCC[NH+]2CCCCC2)CC1 ZINC000353929886 428782520 /nfs/dbraw/zinc/78/25/20/428782520.db2.gz NOEJZIDECDPZCT-UHFFFAOYSA-N 2 0 310.482 2.964 20 0 DFADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)[C@H]1CCC(C)(C)C1 ZINC000359045684 428791153 /nfs/dbraw/zinc/79/11/53/428791153.db2.gz WBBJQXCHMSGWCF-INIZCTEOSA-N 2 0 311.514 2.545 20 0 DFADRP C[C@H]([NH2+]C[C@H](CO)C1CC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000353846290 428745622 /nfs/dbraw/zinc/74/56/22/428745622.db2.gz ABIMMCQKHKTMJJ-ZYSHUDEJSA-N 2 0 302.462 2.505 20 0 DFADRP COC(=O)[C@H](C)C[N@H+](C)Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000411172755 428751382 /nfs/dbraw/zinc/75/13/82/428751382.db2.gz MWIJXDHPRDLLFI-MRXNPFEDSA-N 2 0 318.461 2.913 20 0 DFADRP CC[NH+](CC)CCO[C@@H]1CC[N@H+](Cc2ccccc2N(C)C)C1 ZINC000354078329 428850047 /nfs/dbraw/zinc/85/00/47/428850047.db2.gz PZVVLZXVYQTNNC-GOSISDBHSA-N 2 0 319.493 2.685 20 0 DFADRP CC[NH+](CC)CCO[C@H]1CC[N@H+](Cc2ccccc2N(C)C)C1 ZINC000354078330 428850863 /nfs/dbraw/zinc/85/08/63/428850863.db2.gz PZVVLZXVYQTNNC-SFHVURJKSA-N 2 0 319.493 2.685 20 0 DFADRP CC(CC[NH2+]C(C)(C)C(C)(C)O)CC[NH2+]C(C)(C)C(C)(C)O ZINC000411429428 428798122 /nfs/dbraw/zinc/79/81/22/428798122.db2.gz MHEXDEARNXYUMA-UHFFFAOYSA-N 2 0 316.530 2.681 20 0 DFADRP CC[N@@H+]1CC[C@@H]([NH+](C)CCOCCOc2ccccc2)[C@@H](C)C1 ZINC000348632264 428799668 /nfs/dbraw/zinc/79/96/68/428799668.db2.gz DFJGFABXWKSDRY-PKOBYXMFSA-N 2 0 320.477 2.744 20 0 DFADRP CNC(=O)[C@@H]([NH2+]Cc1ccc(C[NH+]2CCCCC2)cc1)C(C)C ZINC000411470419 428803466 /nfs/dbraw/zinc/80/34/66/428803466.db2.gz OJSGQOOQHTXDPF-SFHVURJKSA-N 2 0 317.477 2.533 20 0 DFADRP O[C@@H]1CC[C@H]2C[N@H+](Cc3ccc(C[NH+]4CCCCC4)cc3)C[C@@H]12 ZINC000411497711 428806008 /nfs/dbraw/zinc/80/60/08/428806008.db2.gz ABBQPJKQLJGTBS-XUVXKRRUSA-N 2 0 314.473 2.875 20 0 DFADRP CCCNC(=O)CCC[NH2+][C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000411518630 428812025 /nfs/dbraw/zinc/81/20/25/428812025.db2.gz PVVSJTFJHNAMLV-HZPDHXFCSA-N 2 0 309.498 2.535 20 0 DFADRP CC[NH+]1CCC(NC(=O)C[NH2+][C@@H](C)[C@H](C)C2CCCCC2)CC1 ZINC000411516165 428812128 /nfs/dbraw/zinc/81/21/28/428812128.db2.gz JHNOQWDSPVOFFM-HOTGVXAUSA-N 2 0 323.525 2.781 20 0 DFADRP CC(=O)N1CCC([NH2+]C2CC[NH+]([C@@H]3CCC[C@@H](C)C3)CC2)CC1 ZINC000359100220 428816771 /nfs/dbraw/zinc/81/67/71/428816771.db2.gz AJNLLFLNQZPNCD-DNVCBOLYSA-N 2 0 321.509 2.630 20 0 DFADRP c1ncc(CC[N@@H+]2CC[C@H](n3cnc4c3CCCC4)C2)s1 ZINC000411578516 428820633 /nfs/dbraw/zinc/82/06/33/428820633.db2.gz SHAOKQCSEPVWSQ-ZDUSSCGKSA-N 2 0 302.447 2.708 20 0 DFADRP CC(C)[NH+]1CCC(N2CC[NH+](C[C@@H]3CC=CCC3)CC2)CC1 ZINC000354025312 428826771 /nfs/dbraw/zinc/82/67/71/428826771.db2.gz BOTUYXDPSYEYPR-GOSISDBHSA-N 2 0 305.510 2.833 20 0 DFADRP CC1CCC(C[N@@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@H](C)C2)CC1 ZINC000354037636 428832420 /nfs/dbraw/zinc/83/24/20/428832420.db2.gz JEOBDCTVNYEFPL-CHPDAQJUSA-N 2 0 307.526 2.771 20 0 DFADRP c1nn(-c2ccccc2)cc1C[N@@H+]1CC[C@H](Oc2ccncc2)C1 ZINC000354035609 428833666 /nfs/dbraw/zinc/83/36/66/428833666.db2.gz ZTCHGOOYJJBTEL-IBGZPJMESA-N 2 0 320.396 2.921 20 0 DFADRP C[C@@H]([NH3+])[C@H]1CCCCN1C(=O)NCCC[N@H+](C)C1CCCCC1 ZINC000417044284 428844006 /nfs/dbraw/zinc/84/40/06/428844006.db2.gz XVNTVTIMXIUZDZ-NVXWUHKLSA-N 2 0 324.513 2.552 20 0 DFADRP CCC[NH+]1CCN(c2ccccc2C[N@H+](C)C[C@H](C)OC)CC1 ZINC000348833958 428856065 /nfs/dbraw/zinc/85/60/65/428856065.db2.gz ONNJZOXESXBIOA-KRWDZBQOSA-N 2 0 319.493 2.685 20 0 DFADRP C[N@@H+]1CCCC[C@@H]1CCC(=O)N1CCC(C[NH+]2CCCC2)CC1 ZINC000354086268 428856414 /nfs/dbraw/zinc/85/64/14/428856414.db2.gz OFXWSLTXAVOUCO-GOSISDBHSA-N 2 0 321.509 2.585 20 0 DFADRP C[N@H+](CCC1CC[NH2+]CC1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000359188500 428858454 /nfs/dbraw/zinc/85/84/54/428858454.db2.gz KTGPMMBEQBAXAS-HXUWFJFHSA-N 3 0 315.505 2.830 20 0 DFADRP CC(CC[NH+](C)[C@H](C)C(C)(C)O)CC[N@H+](C)[C@H](C)C(C)(C)O ZINC000411799913 428859779 /nfs/dbraw/zinc/85/97/79/428859779.db2.gz VQMLEKHMFLOXFY-HZPDHXFCSA-N 2 0 316.530 2.585 20 0 DFADRP C[N@@H+]1CCC[C@@H]1CC[NH+]1CCCN(c2ccc(F)c(F)c2)CC1 ZINC000375349572 428860929 /nfs/dbraw/zinc/86/09/29/428860929.db2.gz NQNJRTZCXUIRQA-OAHLLOKOSA-N 2 0 323.431 2.961 20 0 DFADRP CCC[C@H]([NH2+]CC(=O)NC1CC[NH+](C(C)C)CC1)C1CCC1 ZINC000411816444 428863776 /nfs/dbraw/zinc/86/37/76/428863776.db2.gz HXZSPSUOICMPGK-KRWDZBQOSA-N 2 0 309.498 2.534 20 0 DFADRP O[C@@]1(C(F)F)CC[N@H+](Cc2cccc(C[NH+]3CCCCC3)c2)C1 ZINC000411811364 428863809 /nfs/dbraw/zinc/86/38/09/428863809.db2.gz XUJIBJWBVVNYIE-SFHVURJKSA-N 2 0 324.415 2.874 20 0 DFADRP CC[NH+](CC)CCO[C@H]1CC[N@H+](Cc2cccc(COC)c2)C1 ZINC000354108285 428866308 /nfs/dbraw/zinc/86/63/08/428866308.db2.gz UMVMEYFDAQOATC-IBGZPJMESA-N 2 0 320.477 2.766 20 0 DFADRP C(C[N@@H+]1CCCC[C@H]1c1nnc2n1CCCC2)C1CC[NH2+]CC1 ZINC000359212087 428867150 /nfs/dbraw/zinc/86/71/50/428867150.db2.gz FUWFVVGETWVWME-INIZCTEOSA-N 2 0 317.481 2.531 20 0 DFADRP Cc1nn(-c2cc[nH+]cc2)cc1CN(CC[NH+](C)C)CC(C)C ZINC000348891518 428870219 /nfs/dbraw/zinc/87/02/19/428870219.db2.gz HAOHOSDPNPTPIU-UHFFFAOYSA-N 2 0 315.465 2.595 20 0 DFADRP C[N@@H+]1CCC[C@H](CNc2ncnc3[nH]ccc32)[C@H]1c1ccccc1 ZINC000375384006 428870372 /nfs/dbraw/zinc/87/03/72/428870372.db2.gz IHKPGFNRKVVJCH-NVXWUHKLSA-N 2 0 321.428 3.453 20 0 DFADRP O=C(CC1CCCC1)NC1CC[NH+](CCC2CC[NH2+]CC2)CC1 ZINC000359222090 428872241 /nfs/dbraw/zinc/87/22/41/428872241.db2.gz PREZKTNVSQDEQP-UHFFFAOYSA-N 2 0 321.509 2.537 20 0 DFADRP COC(=O)[C@]12C[N@H+](CC[C@H]3CCCC[NH+]3C)C[C@H]1CCCC2 ZINC000375398204 428873245 /nfs/dbraw/zinc/87/32/45/428873245.db2.gz UPPDMQTYMBXNQI-JFIYKMOQSA-N 2 0 308.466 2.526 20 0 DFADRP COc1ccc(CC[C@H](C)[NH2+][C@H]2CCc3nccn3C2)cc1O ZINC000375430162 428881684 /nfs/dbraw/zinc/88/16/84/428881684.db2.gz WOADYAKQRJRGKS-ZFWWWQNUSA-N 2 0 315.417 2.523 20 0 DFADRP CCCC[N@H+](C)C[C@@H](C)NC(=O)NCc1ccc([C@H](C)[NH3+])cc1 ZINC000418192648 428896548 /nfs/dbraw/zinc/89/65/48/428896548.db2.gz ARQWAAHKXRWJIN-CABCVRRESA-N 2 0 320.481 2.626 20 0 DFADRP C[N@@H+]1CCC[C@H](C[NH2+][C@H]2CCCC[C@H]2O)[C@H]1c1ccccc1 ZINC000375482213 428898259 /nfs/dbraw/zinc/89/82/59/428898259.db2.gz MXSLVEJEOQJMOF-FCGDIQPGSA-N 2 0 302.462 2.963 20 0 DFADRP Cc1cccc([C@@H](C)[NH+]2CCN([C@H]3CCC[N@H+](C)C3)CC2)c1 ZINC000363287519 428899241 /nfs/dbraw/zinc/89/92/41/428899241.db2.gz FUKWLLBUDMHRPN-MJGOQNOKSA-N 2 0 301.478 2.768 20 0 DFADRP C[NH+]1CCC2(CCC[N@@H+]2Cc2ccc(N3CCCC3)nc2)CC1 ZINC000375507932 428901402 /nfs/dbraw/zinc/90/14/02/428901402.db2.gz QULDAKXUPJCDAN-UHFFFAOYSA-N 2 0 314.477 2.742 20 0 DFADRP CC[C@@H]([NH2+]C1CCN(c2cccc(C)n2)CC1)c1nccn1C ZINC000375522105 428905600 /nfs/dbraw/zinc/90/56/00/428905600.db2.gz GEBYKBBQJVLVDB-MRXNPFEDSA-N 2 0 313.449 2.833 20 0 DFADRP C[C@H](C(=O)NCC[N@H+]1[C@H](C)CCC[C@@H]1C)[NH+]1CCCCCC1 ZINC000345505073 428914658 /nfs/dbraw/zinc/91/46/58/428914658.db2.gz JLEYIJWQSWLQBE-IXDOHACOSA-N 2 0 309.498 2.630 20 0 DFADRP CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](CC(C)C)[NH+](CC)CC ZINC000349091627 428918711 /nfs/dbraw/zinc/91/87/11/428918711.db2.gz YSIVRRPROGTXKJ-IRXDYDNUSA-N 2 0 311.514 2.734 20 0 DFADRP C[C@H]1CC(C)(C)C[N@@H+]1CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000412048089 428922587 /nfs/dbraw/zinc/92/25/87/428922587.db2.gz UAIFTYSJBVNAET-RDJZCZTQSA-N 2 0 317.477 2.526 20 0 DFADRP CC(C)c1nccn1C[C@@H]1CCC[N@@H+]1CCC[NH+]1CCCC1 ZINC000363478683 428927267 /nfs/dbraw/zinc/92/72/67/428927267.db2.gz NAKKQDGGAQKYST-KRWDZBQOSA-N 2 0 304.482 2.957 20 0 DFADRP CC[N@@H+]1CC[C@H]([NH+](C)CCC(=O)NCC2CCCCC2)C[C@H]1C ZINC000354226266 428927891 /nfs/dbraw/zinc/92/78/91/428927891.db2.gz VXZQTQCOKRJJTO-AEFFLSMTSA-N 2 0 323.525 2.878 20 0 DFADRP CCCC[N@H+](C)CC1CCN(C(=O)[C@@H]2CCC[NH+]2CCC)CC1 ZINC000349146217 428929886 /nfs/dbraw/zinc/92/98/86/428929886.db2.gz VQOLPDICSWZSML-SFHVURJKSA-N 2 0 323.525 2.831 20 0 DFADRP CCOc1cccc(C[N@@H+]2CC[C@H](C3CC[NH+](C)CC3)C2)n1 ZINC000349149138 428930269 /nfs/dbraw/zinc/93/02/69/428930269.db2.gz LEXUNYCRCJACMI-INIZCTEOSA-N 2 0 303.450 2.644 20 0 DFADRP C[C@H](N[C@H]1CCCC[NH2+]C1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000423549628 428971792 /nfs/dbraw/zinc/97/17/92/428971792.db2.gz HXFDMMSVDPBEDK-WDSOQIARSA-N 2 0 301.478 2.629 20 0 DFADRP CC(C)[NH+]1CCC([NH2+][C@H]2CCC[C@@H](c3ccnn3C)C2)CC1 ZINC000375692109 428942911 /nfs/dbraw/zinc/94/29/11/428942911.db2.gz OABCLXJWOMDIHA-WBVHZDCISA-N 2 0 304.482 2.909 20 0 DFADRP CC(C)[NH+]1CCC([NH2+][C@@H]2CCC[C@H](c3ccnn3C)C2)CC1 ZINC000375692104 428943608 /nfs/dbraw/zinc/94/36/08/428943608.db2.gz OABCLXJWOMDIHA-DOTOQJQBSA-N 2 0 304.482 2.909 20 0 DFADRP CC(C)c1nccn1C[C@H]1CCC[N@H+]1CC(=O)N[C@H](C)C(C)C ZINC000363568229 428944819 /nfs/dbraw/zinc/94/48/19/428944819.db2.gz QCNGXMYHQBJOCE-HZPDHXFCSA-N 2 0 320.481 2.632 20 0 DFADRP CC(C)c1nccn1C[C@@H]1CCC[N@H+]1CC(=O)N[C@H](C)C(C)C ZINC000363568227 428945240 /nfs/dbraw/zinc/94/52/40/428945240.db2.gz QCNGXMYHQBJOCE-CVEARBPZSA-N 2 0 320.481 2.632 20 0 DFADRP CC(C)COCCC[NH2+][C@@H]1CC[N@H+](C[C@@H]2CCCO2)C[C@@H]1C ZINC000363567347 428946342 /nfs/dbraw/zinc/94/63/42/428946342.db2.gz YSISQPZJADWCQE-OKZBNKHCSA-N 2 0 312.498 2.528 20 0 DFADRP C[C@@H](C[NH2+][C@H]1CCN(C2CC[NH+](C)CC2)C1)c1ccccc1 ZINC000375717148 428950761 /nfs/dbraw/zinc/95/07/61/428950761.db2.gz FLCYQZXWTZMUFL-WMZOPIPTSA-N 2 0 301.478 2.548 20 0 DFADRP Cc1cccc(C[N@@H+]2CCN(C3CC[NH+](C)CC3)[C@H](C)C2)c1C ZINC000349317899 428961092 /nfs/dbraw/zinc/96/10/92/428961092.db2.gz QRWQKFHCPWRCQV-QGZVFWFLSA-N 2 0 315.505 2.904 20 0 DFADRP COc1cccc(C[NH+]2CCC(CC[NH+]3CCOCC3)CC2)c1 ZINC000363679432 428966118 /nfs/dbraw/zinc/96/61/18/428966118.db2.gz VFKDNMADIGFLTA-UHFFFAOYSA-N 2 0 318.461 2.630 20 0 DFADRP C[C@H]([NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1)c1ccc(-n2cccn2)cc1 ZINC000423537361 428967448 /nfs/dbraw/zinc/96/74/48/428967448.db2.gz COHNRRCOSOFDEC-DZOHQFGASA-N 2 0 310.445 2.911 20 0 DFADRP COc1ccc2c(c1)[C@H]([NH2+][C@@H]1CC[C@H]3C[NH2+]C[C@H]3C1)CCCO2 ZINC000423544155 428968278 /nfs/dbraw/zinc/96/82/78/428968278.db2.gz ODNHMBYVUNOHTD-LUXYFRNMSA-N 2 0 316.445 2.887 20 0 DFADRP C[C@@H](Cc1ccccc1)[NH+]1CCC(N[C@H]2CCCC[NH2+]C2)CC1 ZINC000423544342 428968875 /nfs/dbraw/zinc/96/88/75/428968875.db2.gz CNZACXKUBKZDQY-PXNSSMCTSA-N 2 0 315.505 2.814 20 0 DFADRP C[C@H]1[C@@H]([NH2+]CCC2=CC[NH2+]CC2)CCCN1Cc1ccccc1 ZINC000423540139 428969284 /nfs/dbraw/zinc/96/92/84/428969284.db2.gz PYQNXLCRABXHJI-PXNSSMCTSA-N 2 0 313.489 2.939 20 0 DFADRP COc1ccc2c(c1F)CC[C@@H]2[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000423549308 428970134 /nfs/dbraw/zinc/97/01/34/428970134.db2.gz NIBSZVWNDFSAOS-JXFSHQFZSA-N 2 0 304.409 2.799 20 0 DFADRP c1ccc([C@H]([NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)c2ccncn2)cc1 ZINC000423555607 428970658 /nfs/dbraw/zinc/97/06/58/428970658.db2.gz YDIDKHCMOWLYNC-FAJBIJEISA-N 2 0 308.429 2.544 20 0 DFADRP CC[NH+](CC)[C@@H](C(=O)N(C)C[C@H]1CCC[N@@H+]1C)c1ccccc1 ZINC000421711682 429018779 /nfs/dbraw/zinc/01/87/79/429018779.db2.gz PBWBYKVACPYAHC-QZTJIDSGSA-N 2 0 317.477 2.622 20 0 DFADRP CC[NH+](CC)Cc1ccc(C(=O)N(C)C[C@@H]2CCC[N@@H+]2C)cc1 ZINC000421707663 429020129 /nfs/dbraw/zinc/02/01/29/429020129.db2.gz YAKPWGFVUXKHPJ-SFHVURJKSA-N 2 0 317.477 2.695 20 0 DFADRP Cc1ccc2c(c1)[C@@H]([NH2+]CC1CC[NH+](CCO)CC1)[C@@H](C)C2 ZINC000180486524 274773821 /nfs/dbraw/zinc/77/38/21/274773821.db2.gz AIBLBJUZSCTQHF-KXBFYZLASA-N 2 0 302.462 2.522 20 0 DFADRP CCO[C@H]1COCC[C@@H]1[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000354971435 429023271 /nfs/dbraw/zinc/02/32/71/429023271.db2.gz TYYXSHCYWAWCOW-ROUUACIJSA-N 2 0 310.482 2.567 20 0 DFADRP C[C@@]1(C(=O)N2CCC(CCC[NH+]3CCCC3)CC2)CCCC[NH2+]1 ZINC000423801722 429024537 /nfs/dbraw/zinc/02/45/37/429024537.db2.gz UFKBULXOHNKSII-IBGZPJMESA-N 2 0 321.509 2.633 20 0 DFADRP C[N@@H+]1CC[C@H]([NH2+]CCCCNc2ccccn2)[C@@H]2CCC[C@@H]21 ZINC000375801276 428978478 /nfs/dbraw/zinc/97/84/78/428978478.db2.gz IPGCTDXWYHCGTI-ULQDDVLXSA-N 2 0 302.466 2.736 20 0 DFADRP Cc1cccc2c1CC[C@H]2[NH2+][C@@H](C)CCN1CC[NH+](C)CC1 ZINC000349384248 428979244 /nfs/dbraw/zinc/97/92/44/428979244.db2.gz WFVAPLPQNCRHFI-QFBILLFUSA-N 2 0 301.478 2.598 20 0 DFADRP CC[NH+](CC)CCC[N@H+](CC)C[C@@H]1CCO[C@H]1c1ccnn1C ZINC000349386333 428979307 /nfs/dbraw/zinc/97/93/07/428979307.db2.gz RSQOVUSATLVZND-FUHWJXTLSA-N 2 0 322.497 2.552 20 0 DFADRP COC[C@H]([NH2+]C1CC[NH+]([C@@H]2CCC[C@H](C)C2)CC1)[C@@H]1CCCO1 ZINC000433012386 428981561 /nfs/dbraw/zinc/98/15/61/428981561.db2.gz KHLYHQMFSBSAOQ-NQYYFHDYSA-N 2 0 324.509 2.813 20 0 DFADRP CCN(CCC[NH+]1CCCC1)Cc1cnc2n[nH]c(C)c2c1 ZINC000349406543 428981645 /nfs/dbraw/zinc/98/16/45/428981645.db2.gz LUZPWMYJXDKVRJ-UHFFFAOYSA-N 2 0 301.438 2.574 20 0 DFADRP CCc1nnc(CN2CCC[C@H](n3ccnc3C(C)C)C2)o1 ZINC000375815720 428986780 /nfs/dbraw/zinc/98/67/80/428986780.db2.gz QINHBIOAJKILCS-ZDUSSCGKSA-N 2 0 303.410 2.789 20 0 DFADRP Cc1ccc([C@H]([NH2+]C[C@H](C)CN2CC[NH+](C)CC2)C2CCC2)o1 ZINC000349448755 428988807 /nfs/dbraw/zinc/98/88/07/428988807.db2.gz FEGBXQQFMQGMBL-HNAYVOBHSA-N 2 0 319.493 2.902 20 0 DFADRP CC[C@H](COC)[NH2+]CC1CC[NH+](CCc2ccccc2)CC1 ZINC000363791633 428995021 /nfs/dbraw/zinc/99/50/21/428995021.db2.gz UAEAJWQWPSJUOY-LJQANCHMSA-N 2 0 304.478 2.956 20 0 DFADRP Fc1ccccc1N1CCC[N@H+](CCCn2ccnc2)CC1 ZINC000375854855 428999537 /nfs/dbraw/zinc/99/95/37/428999537.db2.gz WTSWKEARYGLZEZ-UHFFFAOYSA-N 2 0 302.397 2.625 20 0 DFADRP COc1cccc(OCCC[NH2+][C@@H]2CC[N@H+](C)[C@H]3CCC[C@H]32)c1 ZINC000375855041 428999581 /nfs/dbraw/zinc/99/95/81/428999581.db2.gz YAWSAGKSSUVGMN-OTWHNJEPSA-N 2 0 318.461 2.927 20 0 DFADRP C[C@H]1CCC[C@H](CCNC(=O)CCC[NH+]2CCC([NH3+])CC2)C1 ZINC000433133586 428999943 /nfs/dbraw/zinc/99/99/43/428999943.db2.gz ZFZBVTFSGIUXPN-JKSUJKDBSA-N 2 0 309.498 2.522 20 0 DFADRP CC(C)[C@H](C(=O)NC[C@H](C)[N@@H+]1CCCC[C@H]1C)[NH+]1CCCCC1 ZINC000354661313 429000714 /nfs/dbraw/zinc/00/07/14/429000714.db2.gz NTXMIMSYLQDTHO-FGTMMUONSA-N 2 0 323.525 2.876 20 0 DFADRP COCC[N@H+](C)CCOc1cccc(C[NH2+]C2CC(C)(C)C2)c1 ZINC000433175198 429003746 /nfs/dbraw/zinc/00/37/46/429003746.db2.gz OYJQUMVUNAWHNC-UHFFFAOYSA-N 2 0 320.477 2.922 20 0 DFADRP CC(C)N(Cc1cccs1)C(=O)CCC[NH+]1CCC([NH3+])CC1 ZINC000433171279 429004063 /nfs/dbraw/zinc/00/40/63/429004063.db2.gz CZFZIBORUPVDOH-UHFFFAOYSA-N 2 0 323.506 2.688 20 0 DFADRP C[C@@H]1CC[C@@H](C)[NH+]1[C@@H]1CCCN(C(=O)C2([NH3+])CCCCC2)C1 ZINC000423726734 429004616 /nfs/dbraw/zinc/00/46/16/429004616.db2.gz KGGFXYQYEVIRMW-BZUAXINKSA-N 2 0 307.482 2.512 20 0 DFADRP C[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCCN(C(=O)C[C@H]2CCCC[C@@H]2[NH3+])C1 ZINC000423721066 429005676 /nfs/dbraw/zinc/00/56/76/429005676.db2.gz BKEGRIRVKWPCHK-ILOCAZANSA-N 2 0 321.509 2.758 20 0 DFADRP C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)c1ccc([C@H](C)[NH3+])cc1 ZINC000423759964 429011823 /nfs/dbraw/zinc/01/18/23/429011823.db2.gz MMONMHVPKRLCDW-UONOGXRCSA-N 2 0 303.450 2.509 20 0 DFADRP C[C@@H](CCCC[NH3+])[NH2+]C[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC000423462808 429091065 /nfs/dbraw/zinc/09/10/65/429091065.db2.gz FDRXNIOIXBPJPH-QILLFSRXSA-N 3 0 307.457 2.626 20 0 DFADRP C[C@@H]1C[C@H]([NH2+]C[C@H]2CCC[C@H]([NH3+])C2)CN1Cc1ccccc1 ZINC000423471613 429092512 /nfs/dbraw/zinc/09/25/12/429092512.db2.gz MPQJFUWXAUUQQB-BVBHFADKSA-N 2 0 301.478 2.757 20 0 DFADRP CC[C@H]([NH3+])CN[C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000423471676 429092629 /nfs/dbraw/zinc/09/26/29/429092629.db2.gz PVDULXPOVAPDHH-FCGDIQPGSA-N 2 0 301.478 2.614 20 0 DFADRP C[C@@H](CC(=O)N(C)c1ccccc1)[NH2+]CCC[C@@H]1CCC[NH2+]1 ZINC000423475926 429093796 /nfs/dbraw/zinc/09/37/96/429093796.db2.gz IHLQJSNVZHTWLL-JKSUJKDBSA-N 2 0 303.450 2.550 20 0 DFADRP COCCC[C@@H](C)[NH2+]C[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC000423479224 429094062 /nfs/dbraw/zinc/09/40/62/429094062.db2.gz USGWLTOIXZPMAQ-UWWQBHOKSA-N 2 0 308.441 2.924 20 0 DFADRP CCO[C@@H]1C[C@H]([NH2+]C[C@@H]2CCC[C@H]([NH3+])C2)[C@@H]1Oc1ccccc1 ZINC000423475000 429094720 /nfs/dbraw/zinc/09/47/20/429094720.db2.gz POFVKDXJZGNZNB-QDSNELGPSA-N 2 0 318.461 2.719 20 0 DFADRP C[C@H]([NH2+]CC1CC[NH+](CCN(C)C)CC1)c1ccncc1Cl ZINC000421825390 429036622 /nfs/dbraw/zinc/03/66/22/429036622.db2.gz NIPPXMOEDMSQJD-AWEZNQCLSA-N 2 0 324.900 2.659 20 0 DFADRP Cc1nc2ccccc2nc1C[NH+]1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000357086984 274851347 /nfs/dbraw/zinc/85/13/47/274851347.db2.gz RZQIOJLIOYYFSL-INIZCTEOSA-N 2 0 310.445 2.760 20 0 DFADRP C[C@H]([NH2+]CCCC[N@@H+]1CCC[C@H]1CO)c1ccncc1Cl ZINC000421838281 429038956 /nfs/dbraw/zinc/03/89/56/429038956.db2.gz VFFKWOBFSXLQLX-KBPBESRZSA-N 2 0 311.857 2.623 20 0 DFADRP COC1([C@H](C)[NH2+]CCCC[N@@H+]2CCC[C@@H]2CO)CCCCC1 ZINC000421835324 429039139 /nfs/dbraw/zinc/03/91/39/429039139.db2.gz PSYCXGIQDNEGKC-DLBZAZTESA-N 2 0 312.498 2.551 20 0 DFADRP Cc1[nH+]ccc(N2CC[C@@H]([NH+]3CCN(C)CC3)[C@@H](C)C2)c1Cl ZINC000355096496 274858745 /nfs/dbraw/zinc/85/87/45/274858745.db2.gz OLQGICQCNQWKSL-DZGCQCFKSA-N 2 0 322.884 2.506 20 0 DFADRP Cn1nccc1[C@H]1CCC[C@@H]([NH2+]CCC2CC[NH+](C)CC2)C1 ZINC000376081611 429052367 /nfs/dbraw/zinc/05/23/67/429052367.db2.gz MKFFFZGSVITRKD-DLBZAZTESA-N 2 0 304.482 2.768 20 0 DFADRP COCCOCc1ccc(C[NH2+][C@H]2CCCCC[C@@H]2[NH3+])cc1 ZINC000423142021 429054418 /nfs/dbraw/zinc/05/44/18/429054418.db2.gz SYWUUGQNIITMIQ-ROUUACIJSA-N 2 0 306.450 2.599 20 0 DFADRP Cn1nccc1[C@H]1CCC[C@H]([NH2+]CC2CC[NH+](C3CC3)CC2)C1 ZINC000376087832 429055339 /nfs/dbraw/zinc/05/53/39/429055339.db2.gz ZZRJOAULYOKOJK-IRXDYDNUSA-N 2 0 316.493 2.910 20 0 DFADRP COc1cc2c(cc1OC)[C@@H]([NH2+]CC[C@H]1CCC[NH2+]C1)CC2 ZINC000423279981 429055855 /nfs/dbraw/zinc/05/58/55/429055855.db2.gz TWYVAGPKKKTPFV-CJNGLKHVSA-N 2 0 304.434 2.670 20 0 DFADRP C[NH2+]C[C@@H](C)C[NH2+][C@@H]1CCc2cccc(Br)c2C1 ZINC000423276417 429056017 /nfs/dbraw/zinc/05/60/17/429056017.db2.gz OKZAABKGCOFOGM-DGCLKSJQSA-N 2 0 311.267 2.752 20 0 DFADRP COCC[C@H](Cc1cccc(F)c1)[NH2+][C@H]1CCCC[C@H]1C[NH3+] ZINC000423283760 429056394 /nfs/dbraw/zinc/05/63/94/429056394.db2.gz WEPXVNXJMKUFKE-JQHSSLGASA-N 2 0 308.441 2.880 20 0 DFADRP COc1ccc([C@H](C)[C@H](C)[NH2+][C@@H]2CCC[C@H]2C[NH3+])cc1OC ZINC000423278311 429056476 /nfs/dbraw/zinc/05/64/76/429056476.db2.gz QPFVKWYJZFQENV-BFJAYTPKSA-N 2 0 306.450 2.913 20 0 DFADRP COc1cc(C)c(C[C@H](C)[NH2+]CC[C@@H]2CCC[NH2+]C2)cc1OC ZINC000423285720 429057242 /nfs/dbraw/zinc/05/72/42/429057242.db2.gz ZWJDGDVYVZGMMU-HOTGVXAUSA-N 2 0 320.477 2.923 20 0 DFADRP c1ccc(C[N@@H+]2CC[C@H](N[C@H]3CCC[NH2+]C3)[C@H]3CCC[C@@H]32)cc1 ZINC000423303448 429059422 /nfs/dbraw/zinc/05/94/22/429059422.db2.gz LODFVJHFLRMHNH-YRPNKDGESA-N 3 0 313.489 2.771 20 0 DFADRP C[C@@H](C[NH3+])C[NH2+][C@@H]1CCCOc2c(Br)cccc21 ZINC000423299134 429059729 /nfs/dbraw/zinc/05/97/29/429059729.db2.gz PJGVABICHUQMER-GXFFZTMASA-N 2 0 313.239 2.847 20 0 DFADRP C[C@H]1C[C@@H](C(=O)Nc2ccc(C[NH+](C)C)cc2F)CC[N@@H+]1C ZINC000412555185 429060281 /nfs/dbraw/zinc/06/02/81/429060281.db2.gz BDFXSEMFGGQZFK-JSGCOSHPSA-N 2 0 307.413 2.556 20 0 DFADRP CCCC[C@H](C[NH3+])N[C@H](C)c1cc(OC)c(OC)c(OC)c1 ZINC000423301223 429060819 /nfs/dbraw/zinc/06/08/19/429060819.db2.gz SWEVGWDZMLMQMK-TZMCWYRMSA-N 2 0 310.438 2.881 20 0 DFADRP C[C@H](C[NH3+])C[NH2+][C@@H]1CCCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000423306560 429061046 /nfs/dbraw/zinc/06/10/46/429061046.db2.gz LTZBMNTYPXBVMT-RSPOEFSDSA-N 2 0 315.505 2.862 20 0 DFADRP CC[N@H+](Cc1ccc(C(=O)N(C)[C@H](C[NH3+])C2CC2)cc1)C(C)C ZINC000423947888 429062317 /nfs/dbraw/zinc/06/23/17/429062317.db2.gz LFHVKDHOGOAPHC-GOSISDBHSA-N 2 0 317.477 2.726 20 0 DFADRP [NH3+][C@H](CN[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H]2CCC[C@@H]21)C1CC1 ZINC000423315859 429062648 /nfs/dbraw/zinc/06/26/48/429062648.db2.gz JDPAHFLMIHQEAV-UAFMIMERSA-N 2 0 313.489 2.757 20 0 DFADRP C[C@@H](C[NH+]1CCCCC1)NC(=O)C(C)(C)[C@H]([NH3+])c1ccccc1 ZINC000423319242 429062799 /nfs/dbraw/zinc/06/27/99/429062799.db2.gz DJIUVUGEXCJOSJ-DOTOQJQBSA-N 2 0 317.477 2.703 20 0 DFADRP CCC(C)(C)[NH2+][C@H](C)C(=O)Nc1ccc(C[NH+](C)C)cc1F ZINC000412560114 429062863 /nfs/dbraw/zinc/06/28/63/429062863.db2.gz PDMDOLVYEKFOCR-GFCCVEGCSA-N 2 0 309.429 2.993 20 0 DFADRP [NH3+][C@@H](C[NH2+][C@H]1CCc2cc(Br)ccc2C1)C1CC1 ZINC000423319071 429063106 /nfs/dbraw/zinc/06/31/06/429063106.db2.gz LNVWTKZOXSQBAL-GJZGRUSLSA-N 2 0 309.251 2.633 20 0 DFADRP [NH3+][C@H](C[NH2+][C@@H](Cc1ccccc1Cl)[C@H]1CCCO1)C1CC1 ZINC000423315532 429063213 /nfs/dbraw/zinc/06/32/13/429063213.db2.gz IWTRUQVYSRXNJQ-IXDOHACOSA-N 2 0 308.853 2.757 20 0 DFADRP C[C@@H](Cc1ccc(F)cc1Br)[NH2+]CC1([NH3+])CCC1 ZINC000423330439 429064893 /nfs/dbraw/zinc/06/48/93/429064893.db2.gz NTIMZKOTQHXCLJ-JTQLQIEISA-N 2 0 315.230 2.990 20 0 DFADRP CC1CC[NH+](CCCCNC(=O)[C@@H]([NH3+])CC2CCCCC2)CC1 ZINC000423326452 429065883 /nfs/dbraw/zinc/06/58/83/429065883.db2.gz KOAQNDXQHZMQOZ-SFHVURJKSA-N 2 0 323.525 2.912 20 0 DFADRP C[C@H]1CCCC[N@@H+]1Cc1ccc(NC(=O)[C@]23C[C@H]2CC[NH2+]3)cc1 ZINC000423340678 429066872 /nfs/dbraw/zinc/06/68/72/429066872.db2.gz SXOAIWHDEMEQQZ-GMBSWORKSA-N 2 0 313.445 2.752 20 0 DFADRP C[C@H](CNC(=O)[C@@H]([NH3+])CC1CCCCC1)[N@@H+]1CCCC[C@H]1C ZINC000423332804 429067484 /nfs/dbraw/zinc/06/74/84/429067484.db2.gz PKELQWFWOLQJEN-INMHGKMJSA-N 2 0 309.498 2.663 20 0 DFADRP COC(=O)CCC[C@@H]1CCC[C@H]([NH2+]CC2(C)CC[NH2+]CC2)C1 ZINC000423337906 429067572 /nfs/dbraw/zinc/06/75/72/429067572.db2.gz UJUGAILYJKPWOA-HOTGVXAUSA-N 2 0 310.482 2.868 20 0 DFADRP C[C@H]([NH3+])c1ccc(C(=O)NC2CC[NH+](C3CCCC3)CC2)cc1 ZINC000423340761 429067812 /nfs/dbraw/zinc/06/78/12/429067812.db2.gz TXBWPVOXUMHSIO-AWEZNQCLSA-N 2 0 315.461 2.843 20 0 DFADRP C[C@@H]([NH3+])c1ccc(C(=O)NC[C@H](C2CCCCC2)[NH+](C)C)cc1 ZINC000423339818 429067856 /nfs/dbraw/zinc/06/78/56/429067856.db2.gz WYWMHAVNBORXCN-RDTXWAMCSA-N 2 0 317.477 2.947 20 0 DFADRP C[C@@H]([NH3+])c1ccc(C(=O)NCCCC[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000423334634 429068293 /nfs/dbraw/zinc/06/82/93/429068293.db2.gz QXCHMVMEQSQHMD-HZPDHXFCSA-N 2 0 317.477 2.948 20 0 DFADRP c1ccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@H]([NH2+]CC2=CC[NH2+]CC2)C3)cc1 ZINC000423334747 429068772 /nfs/dbraw/zinc/06/87/72/429068772.db2.gz FXPWPQZKCKQRGX-OWZKRDHZSA-N 3 0 311.473 2.691 20 0 DFADRP CC[NH+](CC)[C@@H](C(=O)N1C[C@@H](C)[C@](C)(C[NH3+])C1)c1ccccc1 ZINC000423973823 429068915 /nfs/dbraw/zinc/06/89/15/429068915.db2.gz DLLYRUVGBDJTCA-SZVBFZGTSA-N 2 0 317.477 2.513 20 0 DFADRP COc1cccc(C[C@@H]([NH2+]C[C@]2(C)CCC[NH2+]C2)C2CC2)c1 ZINC000423347491 429069555 /nfs/dbraw/zinc/06/95/55/429069555.db2.gz RJWIJLFKGLERKV-RTBURBONSA-N 2 0 302.462 2.996 20 0 DFADRP Clc1cc2c(c(Cl)c1)CC[C@H]2NC[C@H]1C[NH2+]CCCO1 ZINC000423486713 429097179 /nfs/dbraw/zinc/09/71/79/429097179.db2.gz BYLIMUXTMNSHGK-IAQYHMDHSA-N 2 0 315.244 2.949 20 0 DFADRP C[C@@H](NC[C@H]1C[NH2+]CCCO1)c1ccc(C(F)(F)F)cc1 ZINC000423485541 429097203 /nfs/dbraw/zinc/09/72/03/429097203.db2.gz AVMQIBIWRANDPE-BXUZGUMPSA-N 2 0 302.340 2.735 20 0 DFADRP C[C@H]([NH3+])c1ccc(C(=O)NC[C@]2([NH+](C)C)CCC[C@@H](C)C2)cc1 ZINC000423356622 429071326 /nfs/dbraw/zinc/07/13/26/429071326.db2.gz QYHLHZCTKJEZSY-VCBZYWHSSA-N 2 0 317.477 2.947 20 0 DFADRP C[C@H]([NH3+])c1ccc(C(=O)NCC[N@H+](C)Cc2ccccc2)cc1 ZINC000423356585 429071864 /nfs/dbraw/zinc/07/18/64/429071864.db2.gz QUOLGFUSELQEFH-HNNXBMFYSA-N 2 0 311.429 2.568 20 0 DFADRP CCOC(=O)[C@H]1CC[C@@H]([NH2+]CC[C@H]2CCC[NH2+]2)c2ccccc21 ZINC000423353869 429072177 /nfs/dbraw/zinc/07/21/77/429072177.db2.gz FBSIQGHJJCOJPK-FHLIZLRMSA-N 2 0 316.445 2.900 20 0 DFADRP CC(C)[C@@H](C(=O)N1CCC[C@@H](C[NH+]2CCC(C)CC2)C1)[C@H](C)[NH3+] ZINC000423363757 429072267 /nfs/dbraw/zinc/07/22/67/429072267.db2.gz VEVUGOIMCZRMJU-OKZBNKHCSA-N 2 0 323.525 2.576 20 0 DFADRP C[C@H]([NH3+])c1ccc(C(=O)N2CC[NH+](CCC(C)(C)C)CC2)cc1 ZINC000423354007 429072917 /nfs/dbraw/zinc/07/29/17/429072917.db2.gz MNOOSKIUZUCHLJ-HNNXBMFYSA-N 2 0 317.477 2.900 20 0 DFADRP C[C@H]([NH2+][C@@H]1CCC[C@@H]([NH3+])C1)c1cccc(OCC[NH+](C)C)c1 ZINC000423366042 429074123 /nfs/dbraw/zinc/07/41/23/429074123.db2.gz BLRJTYMPTOIQNF-USXIJHARSA-N 3 0 305.466 2.548 20 0 DFADRP C[C@@H]([NH2+]C[C@@H](N1CC[NH2+]CC1)C(F)(F)F)[C@H]1CCCC[C@H]1C ZINC000423381458 429076111 /nfs/dbraw/zinc/07/61/11/429076111.db2.gz FPRBHYLULOTSTE-APIJFGDWSA-N 2 0 321.431 2.627 20 0 DFADRP C[C@H](N[C@@H]1CC[NH2+][C@H](C)C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000423374753 429076181 /nfs/dbraw/zinc/07/61/81/429076181.db2.gz IIYXEKSZQQWJBS-UKBAYJJMSA-N 2 0 301.478 2.627 20 0 DFADRP Cc1ccc([C@@H](C)[NH2+]C[C@@H](N2CC[NH2+]CC2)C(F)(F)F)s1 ZINC000423381050 429077626 /nfs/dbraw/zinc/07/76/26/429077626.db2.gz HPVHSMDNZBOTIO-DGCLKSJQSA-N 2 0 321.412 2.543 20 0 DFADRP C[C@@H]1C[C@H](N[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)CC[NH2+]1 ZINC000423382254 429077710 /nfs/dbraw/zinc/07/77/10/429077710.db2.gz OTGUPKBTVWHJKK-RWQQGDIJSA-N 3 0 301.478 2.627 20 0 DFADRP CC[NH2+][C@H](C)CNC1CC[NH+]([C@@H](C)Cc2ccccc2)CC1 ZINC000423385201 429079019 /nfs/dbraw/zinc/07/90/19/429079019.db2.gz KIIWDWRKOCQJTR-SJORKVTESA-N 2 0 303.494 2.670 20 0 DFADRP COc1cc([C@H](C)[NH2+][C@@H]2CCC[C@H]([NH3+])C2)cc(OC)c1OC ZINC000423388333 429079477 /nfs/dbraw/zinc/07/94/77/429079477.db2.gz NJUSUNLJNCQDRS-FPMFFAJLSA-N 2 0 308.422 2.633 20 0 DFADRP COCC1(C[NH2+][C@H]2CCc3ccc(Cl)cc32)CC[NH2+]CC1 ZINC000423407562 429081718 /nfs/dbraw/zinc/08/17/18/429081718.db2.gz MRQNMBYZQOCVBT-INIZCTEOSA-N 2 0 308.853 2.933 20 0 DFADRP CC(C)[C@H](N[C@H]1CCC[NH2+][C@@H]1C)c1ccc2[nH]c(=O)oc2c1 ZINC000423402962 429082027 /nfs/dbraw/zinc/08/20/27/429082027.db2.gz XWVFSDFXQUDNHW-FFSVYQOJSA-N 2 0 303.406 2.961 20 0 DFADRP O[C@@H]1C[NH2+]C[C@@H]1C[NH2+][C@H]1CCC[C@H](c2ccc(Cl)cc2)C1 ZINC000423413884 429083846 /nfs/dbraw/zinc/08/38/46/429083846.db2.gz BFJWZKXRAABQHE-HDEZJCGLSA-N 2 0 308.853 2.536 20 0 DFADRP C[C@H](CCCC[NH3+])[NH2+][C@H](c1ccc(F)cc1)c1cnccn1 ZINC000423425745 429084580 /nfs/dbraw/zinc/08/45/80/429084580.db2.gz HBIGOWXFVJMOOG-CXAGYDPISA-N 2 0 302.397 2.812 20 0 DFADRP C[C@H]([NH2+]C[C@H]1CC[C@H](C[NH3+])CC1)c1ccc2c(c1)OCCO2 ZINC000423419033 429085046 /nfs/dbraw/zinc/08/50/46/429085046.db2.gz IHBOZMUAOBPQAR-KKUMJFAQSA-N 2 0 304.434 2.874 20 0 DFADRP C[C@H]1C[C@@H]([NH2+][C@@H]2C[C@H]2C2CC[NH2+]CC2)CN1Cc1ccccc1 ZINC000423437466 429086957 /nfs/dbraw/zinc/08/69/57/429086957.db2.gz MFUZRKPOABOBCM-JOCLIGHLSA-N 2 0 313.489 2.627 20 0 DFADRP COc1ccc([C@@H]2CCCC[C@H]2[NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)cc1F ZINC000423434133 429087495 /nfs/dbraw/zinc/08/74/95/429087495.db2.gz NXNWVRLVXZAUKN-JQONLHTASA-N 2 0 304.409 2.668 20 0 DFADRP CCOCc1cc(C[N@H+](C)[C@H]2CCC[NH2+]CC2)ccc1OC ZINC000435436658 429142943 /nfs/dbraw/zinc/14/29/43/429142943.db2.gz GUIFROPMGOSOJP-KRWDZBQOSA-N 2 0 306.450 2.806 20 0 DFADRP C[C@H]1C[N@H+](CCCn2ccnc2)CC[C@H]1NC(=O)OC(C)(C)C ZINC000494713034 429148126 /nfs/dbraw/zinc/14/81/26/429148126.db2.gz UNNUKYAJHMZROX-LSDHHAIUSA-N 2 0 322.453 2.508 20 0 DFADRP CCN(CC(=O)N1CCC[C@@H]2CCCC[C@H]21)[C@H]1CCC[NH2+]CC1 ZINC000435611926 429151827 /nfs/dbraw/zinc/15/18/27/429151827.db2.gz DDDGXNAPAAUNTB-OKZBNKHCSA-N 2 0 321.509 2.632 20 0 DFADRP CCN(Cc1nc(Cc2ccccc2)no1)[C@H]1CCC[NH2+]CC1 ZINC000435611363 429152160 /nfs/dbraw/zinc/15/21/60/429152160.db2.gz AVTOYCIZMQPALY-INIZCTEOSA-N 2 0 314.433 2.624 20 0 DFADRP CCN(CC(=O)Nc1c(C)cccc1C)[C@@H]1CCC[NH2+]CC1 ZINC000435613082 429154102 /nfs/dbraw/zinc/15/41/02/429154102.db2.gz ITRNVCQXBRXHIN-MRXNPFEDSA-N 2 0 303.450 2.706 20 0 DFADRP O=C([C@H]1CCC[N@H+](CCC[NH+]2CCCCC2)C1)N1CCCCC1 ZINC000363997625 429154873 /nfs/dbraw/zinc/15/48/73/429154873.db2.gz KLGRLSZSBIADTC-SFHVURJKSA-N 2 0 321.509 2.587 20 0 DFADRP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)CC[C@H]([NH3+])CC1CCCCC1 ZINC000424138619 429098198 /nfs/dbraw/zinc/09/81/98/429098198.db2.gz CSYFDPBMADCZEQ-UWWQBHOKSA-N 2 0 321.509 2.663 20 0 DFADRP CC(C)NC(=O)Nc1ccc([C@H](C)[NH2+][C@@H]2CC[C@@H](C[NH3+])C2)cc1 ZINC000423498095 429098521 /nfs/dbraw/zinc/09/85/21/429098521.db2.gz ZXTNWSDEOKDFQL-JJRVBVJISA-N 2 0 318.465 2.995 20 0 DFADRP CC(C)[C@H]([NH2+][C@@H]1CC[C@H](C[NH3+])C1)c1ccc2[nH]c(=O)oc2c1 ZINC000423493046 429099393 /nfs/dbraw/zinc/09/93/93/429099393.db2.gz PJDDODVRCNKZBW-GHJWDPDVSA-N 2 0 303.406 2.948 20 0 DFADRP C[C@@H](c1nc2ccccc2s1)[C@H](C)[NH2+]C[C@H]1C[NH2+]CCCO1 ZINC000423492594 429099949 /nfs/dbraw/zinc/09/99/49/429099949.db2.gz NUSYHFBMOBUMLF-HZSPNIEDSA-N 2 0 319.474 2.756 20 0 DFADRP CN(C)c1nccc2cc(NC(=O)[C@H]3CCC[N@@H+]3C3CC3)ccc21 ZINC000452354535 429100423 /nfs/dbraw/zinc/10/04/23/429100423.db2.gz LNHCBWQWPTUERR-QGZVFWFLSA-N 2 0 324.428 2.866 20 0 DFADRP C[C@@H](c1ccc2c(c1)OCCCO2)[N@@H+]1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000423505684 429100792 /nfs/dbraw/zinc/10/07/92/429100792.db2.gz HJTPEZRRELLELH-QWQRMKEZSA-N 2 0 304.434 2.826 20 0 DFADRP C[N@@H+]1CC[C@H](N[C@H](C[NH3+])C2CCCC2)C[C@H]1c1ccccc1 ZINC000423506203 429101735 /nfs/dbraw/zinc/10/17/35/429101735.db2.gz OWXZYIGUOVBSPY-OTWHNJEPSA-N 2 0 301.478 2.929 20 0 DFADRP COCCc1nc(C)c([C@@H](C)[N@@H+]2C[C@@H](C)[C@](C)(C[NH3+])C2)s1 ZINC000423509450 429104644 /nfs/dbraw/zinc/10/46/44/429104644.db2.gz MHZHPHCZUBSTTI-AXAPSJFSSA-N 2 0 311.495 2.618 20 0 DFADRP C[N@@H+]1CC[C@@H]2CCN(C(=O)CC[C@@H]([NH3+])CC3CCCCC3)[C@H]2C1 ZINC000424175344 429105494 /nfs/dbraw/zinc/10/54/94/429105494.db2.gz PRPFQPYAWFDBLO-KURKYZTESA-N 2 0 321.509 2.617 20 0 DFADRP C[C@H]([NH2+][C@@H]1CC[C@@H](C[NH3+])C1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000423523199 429108974 /nfs/dbraw/zinc/10/89/74/429108974.db2.gz YMTVWSUPJXZDRC-WZGPROSRSA-N 3 0 301.478 2.614 20 0 DFADRP CCC[C@H]([NH2+]C1CCC([NH+]2CCNCC2)CC1)c1cccnc1 ZINC000423522211 429109461 /nfs/dbraw/zinc/10/94/61/429109461.db2.gz UEMCIJMNFWWPLU-ACBHZAAOSA-N 2 0 316.493 2.729 20 0 DFADRP C[C@H]([NH2+][C@@H]1CC[C@@H](C[NH3+])C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000423523198 429109518 /nfs/dbraw/zinc/10/95/18/429109518.db2.gz YMTVWSUPJXZDRC-JCHJZTRSSA-N 3 0 301.478 2.614 20 0 DFADRP CC(C)[NH+]1CCC(NCC2([NH3+])C3CC4CC(C3)CC2C4)CC1 ZINC000423530935 429110009 /nfs/dbraw/zinc/11/00/09/429110009.db2.gz RWOWDDBDTDTSSU-UHFFFAOYSA-N 2 0 305.510 2.602 20 0 DFADRP C[C@H]1CCCC[C@H]1[NH+]1CCC([NH2+]CCC2=CC[NH2+]CC2)CC1 ZINC000423535109 429110788 /nfs/dbraw/zinc/11/07/88/429110788.db2.gz CBEYUFKVWPQLKN-QFBILLFUSA-N 3 0 305.510 2.929 20 0 DFADRP C([NH2+][C@@H]1[C@@H]2CCO[C@H]2C12CCCC2)C1CC[NH+](C2CC2)CC1 ZINC000376468552 429117932 /nfs/dbraw/zinc/11/79/32/429117932.db2.gz LVOJQRWHSJLYJC-RCCFBDPRSA-N 2 0 304.478 2.798 20 0 DFADRP [NH3+][C@@H]1CCCC[C@H]1[NH2+]CCOc1ccccc1Br ZINC000424285962 429119462 /nfs/dbraw/zinc/11/94/62/429119462.db2.gz GMVIIADHCZHCKH-CHWSQXEVSA-N 2 0 313.239 2.687 20 0 DFADRP FC1(F)CCC[C@@H](C[NH+]2CCC(n3ncc4c3C[NH2+]C4)CC2)C1 ZINC000424287017 429120154 /nfs/dbraw/zinc/12/01/54/429120154.db2.gz ICEMEZLKPHFQTA-CYBMUJFWSA-N 2 0 324.419 2.949 20 0 DFADRP C[C@H]1CC2(C[N@@H+]1CCc1nc3ccccc3n1C)CC[NH2+]CC2 ZINC000424297532 429121881 /nfs/dbraw/zinc/12/18/81/429121881.db2.gz SVQZDZTYJOLTDX-HNNXBMFYSA-N 2 0 312.461 2.580 20 0 DFADRP Cc1ccc(NC(=O)C[N@H+]2CC3(C[C@@H]2C)CC[NH2+]CC3)c(F)c1 ZINC000424299897 429122452 /nfs/dbraw/zinc/12/24/52/429122452.db2.gz WDJLILMWLFECJH-AWEZNQCLSA-N 2 0 319.424 2.537 20 0 DFADRP [NH3+]C[C@H](CN1CC[C@@H](C[NH+]2CCCCC2)C1)c1ccc(F)cc1 ZINC000424305840 429123627 /nfs/dbraw/zinc/12/36/27/429123627.db2.gz TVPGOSUOVNNALI-FUHWJXTLSA-N 2 0 319.468 2.676 20 0 DFADRP Cc1nccn1C[C@H]1CCC[N@@H+]1C[C@H](C[NH3+])c1ccc(F)cc1 ZINC000424308139 429125177 /nfs/dbraw/zinc/12/51/77/429125177.db2.gz ZFVUDNOVGZIJID-FUHWJXTLSA-N 2 0 316.424 2.538 20 0 DFADRP CC[NH+](CC)C[C@H]1CCN(C[C@H](C[NH3+])c2ccc(F)cc2)C1 ZINC000424308323 429125213 /nfs/dbraw/zinc/12/52/13/429125213.db2.gz ZPMOGBIQJQERJM-WBVHZDCISA-N 2 0 307.457 2.532 20 0 DFADRP CCOC(=O)CC(C)(C)CC[N@@H+]1C[C@@H]2C[NH+]3CCCC[C@H]3[C@@H]2C1 ZINC000376515940 429127711 /nfs/dbraw/zinc/12/77/11/429127711.db2.gz WDJNLQLUJTWFTH-ZACQAIPSSA-N 2 0 322.493 2.772 20 0 DFADRP COc1ccc(C[C@@H](C)[NH2+][C@@H]2CCCC[C@H]2[NH3+])c(C)c1OC ZINC000424376454 429132138 /nfs/dbraw/zinc/13/21/38/429132138.db2.gz PFPNTYWILYDMJX-DAXOMENPSA-N 2 0 306.450 2.803 20 0 DFADRP COc1ccc(C[C@H](C)[NH2+][C@@H]2CCCC[C@H]2[NH3+])c(C)c1OC ZINC000424376452 429132176 /nfs/dbraw/zinc/13/21/76/429132176.db2.gz PFPNTYWILYDMJX-APHBMKBZSA-N 2 0 306.450 2.803 20 0 DFADRP C[C@@H]1CC2(C[N@@H+]1Cc1nccn1-c1ccccc1)CC[NH2+]CC2 ZINC000424386969 429132710 /nfs/dbraw/zinc/13/27/10/429132710.db2.gz XVRAQLIDXISWKG-MRXNPFEDSA-N 2 0 310.445 2.836 20 0 DFADRP COc1cc(C[N@@H+]2CC3(C[C@@H]2C)CC[NH2+]CC3)cc(OC)c1 ZINC000424383813 429132964 /nfs/dbraw/zinc/13/29/64/429132964.db2.gz UOOBJOFIIDDUFA-AWEZNQCLSA-N 2 0 304.434 2.668 20 0 DFADRP [NH3+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3OCc3cccnc3)C[C@@H]12 ZINC000435387558 429136631 /nfs/dbraw/zinc/13/66/31/429136631.db2.gz APZTYBUKGSIDDK-BHIYHBOVSA-N 2 0 323.440 2.830 20 0 DFADRP C[C@H](C[C@@H](C)[NH2+]CCC[NH+]1CCCC1)NC(=O)OC(C)(C)C ZINC000494659625 429139935 /nfs/dbraw/zinc/13/99/35/429139935.db2.gz QMBMEMUFMLMURG-HUUCEWRRSA-N 2 0 313.486 2.754 20 0 DFADRP CCOc1c(OC)cc(C[N@H+](C)[C@H]2CCC[NH2+]CC2)cc1OC ZINC000435439214 429141015 /nfs/dbraw/zinc/14/10/15/429141015.db2.gz UCRXSPBGSBTGCX-HNNXBMFYSA-N 2 0 322.449 2.676 20 0 DFADRP CCn1c(C)nnc1CN1CCC(C[NH+]2CCC(C)CC2)CC1 ZINC000364056502 429164025 /nfs/dbraw/zinc/16/40/25/429164025.db2.gz RQKCTUTVJXEHII-UHFFFAOYSA-N 2 0 319.497 2.550 20 0 DFADRP CC[NH+](CC)CCOC1CC[NH+](C[C@@H]2CCSC2)CC1 ZINC000494937073 429165801 /nfs/dbraw/zinc/16/58/01/429165801.db2.gz KWPNJJDKBYMEGI-HNNXBMFYSA-N 2 0 300.512 2.562 20 0 DFADRP CC(C)OC(=O)CC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000364343609 429187322 /nfs/dbraw/zinc/18/73/22/429187322.db2.gz OZRKNKABDRZJNH-SJLPKXTDSA-N 2 0 318.461 2.828 20 0 DFADRP COc1ccc(C[NH2+]CCCC[NH+]2C[C@@H](C)C[C@H](C)C2)cn1 ZINC000436272616 429193201 /nfs/dbraw/zinc/19/32/01/429193201.db2.gz HLGUSYPDRGYWCK-HOTGVXAUSA-N 2 0 305.466 2.938 20 0 DFADRP CCOC(=O)N[C@H]1CCC[N@H+](CCCc2ccc(C)nc2)C1 ZINC000495569333 429225417 /nfs/dbraw/zinc/22/54/17/429225417.db2.gz ONHAVWNTARGMCS-INIZCTEOSA-N 2 0 305.422 2.533 20 0 DFADRP COC(CN1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2)OC ZINC000364578441 429228089 /nfs/dbraw/zinc/22/80/89/429228089.db2.gz KWMXTYVLUOJTGO-LJQANCHMSA-N 2 0 318.461 2.593 20 0 DFADRP CCN1CCCC[C@H]1C[NH2+]C1CCN(c2nccs2)CC1 ZINC000364680664 429248732 /nfs/dbraw/zinc/24/87/32/429248732.db2.gz ARVQXDROGXARNY-HNNXBMFYSA-N 2 0 308.495 2.576 20 0 DFADRP C[N@H+](CC1CCN(c2cc[nH+]cc2)CC1)C[C@H]1CCC=CO1 ZINC000364765866 429263908 /nfs/dbraw/zinc/26/39/08/429263908.db2.gz YSANUNWEJURWBB-GOSISDBHSA-N 2 0 301.434 2.923 20 0 DFADRP Cc1ccccc1[C@H]([NH3+])C(=O)NCC1([NH+](C)C)CCCCCC1 ZINC000449071879 429322870 /nfs/dbraw/zinc/32/28/70/429322870.db2.gz CHBLQMLNSAJPCY-KRWDZBQOSA-N 2 0 317.477 2.766 20 0 DFADRP C[C@@H]1CC[C@@H](C)[C@H]([NH2+]Cc2ccnc(N3CC[NH+](C)CC3)c2)C1 ZINC000449081703 429326656 /nfs/dbraw/zinc/32/66/56/429326656.db2.gz HHIRQIBXRSEEHO-JFIYKMOQSA-N 2 0 316.493 2.748 20 0 DFADRP Cc1cccc(CC[NH2+]C[C@@]2(O)CCN(Cc3ccccc3)C2)c1 ZINC000449164463 429347604 /nfs/dbraw/zinc/34/76/04/429347604.db2.gz PYCNBPKQAKBNAW-NRFANRHFSA-N 2 0 324.468 2.764 20 0 DFADRP C[C@@H](Cc1ccccc1)[NH+]1CCC(NC[C@H]2CCC[N@@H+]2C)CC1 ZINC000449102003 429332935 /nfs/dbraw/zinc/33/29/35/429332935.db2.gz HWNZLKQOVBLRMM-FXAWDEMLSA-N 2 0 315.505 2.766 20 0 DFADRP Cc1cc(C[NH2+]C2CCN(C3CC[NH+](C)CC3)CC2)cs1 ZINC000449107776 429334968 /nfs/dbraw/zinc/33/49/68/429334968.db2.gz NQXDPFXZOWMPEV-UHFFFAOYSA-N 2 0 307.507 2.705 20 0 DFADRP C[NH2+][C@H](CC(C)(C)C)C(=O)Nc1ccc(CC[NH+](C)C)cc1 ZINC000449117129 429337323 /nfs/dbraw/zinc/33/73/23/429337323.db2.gz NOPIILJKRPWDFT-MRXNPFEDSA-N 2 0 305.466 2.753 20 0 DFADRP CC[C@H]1C[N@H+](CC)CCN1C(=O)[C@H]1CC[NH+](C2CCCCC2)C1 ZINC000456368119 429290745 /nfs/dbraw/zinc/29/07/45/429290745.db2.gz DUDDMBVDPLGDIK-IRXDYDNUSA-N 2 0 321.509 2.584 20 0 DFADRP CO[C@@H](C[NH+]1CCC(CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1)C1CC1 ZINC000425427831 429292803 /nfs/dbraw/zinc/29/28/03/429292803.db2.gz VJISGACIGXXIFL-FCEWJHQRSA-N 2 0 324.509 2.623 20 0 DFADRP CC1(c2ccc(F)cc2)CC([NH2+]C[C@H](O)C[NH+]2CCCCC2)C1 ZINC000365405300 429314001 /nfs/dbraw/zinc/31/40/01/429314001.db2.gz SIIKVAUDLAPWAZ-XBMUEBEBSA-N 2 0 320.452 2.682 20 0 DFADRP C[NH2+][C@@H](CC(C)(C)C)C(=O)N(CC[NH+](C)C)c1ccccc1 ZINC000449338620 429392429 /nfs/dbraw/zinc/39/24/29/429392429.db2.gz VYFOYDADHMAMML-INIZCTEOSA-N 2 0 305.466 2.605 20 0 DFADRP CC1CCC([NH+]2CCN(C(=O)C[C@H]3CCCC[C@H]3[NH3+])CC2)CC1 ZINC000449350781 429395702 /nfs/dbraw/zinc/39/57/02/429395702.db2.gz NIUHWJZTCNLOAD-GPQLOAJWSA-N 2 0 321.509 2.617 20 0 DFADRP CCCC[N@H+](C)C[C@H](C)NC(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC000426494047 429398067 /nfs/dbraw/zinc/39/80/67/429398067.db2.gz BAFYVEXLRMXTPL-DLBZAZTESA-N 2 0 311.514 2.734 20 0 DFADRP CC[NH+]1CCN(c2ccccc2C[NH2+]Cc2ccnc(C)c2)CC1 ZINC000449401353 429404340 /nfs/dbraw/zinc/40/43/40/429404340.db2.gz GTZLWKQBFTZVSI-UHFFFAOYSA-N 2 0 324.472 2.822 20 0 DFADRP CC[C@H](C)[C@@H](C[NH2+]Cc1cn(-c2cc[nH+]cc2)nc1C)OC ZINC000449403100 429406647 /nfs/dbraw/zinc/40/66/47/429406647.db2.gz OHOGNURWQROTGP-SUMWQHHRSA-N 2 0 302.422 2.726 20 0 DFADRP C[C@H](CNC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)C[NH+](C)C ZINC000425928384 429352468 /nfs/dbraw/zinc/35/24/68/429352468.db2.gz VHXJBYPSSQKAJB-VOBGVNJCSA-N 2 0 315.505 2.969 20 0 DFADRP Cc1cc(C[NH2+]C2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)cs1 ZINC000449188310 429353136 /nfs/dbraw/zinc/35/31/36/429353136.db2.gz KMGQJKZZDUAXMN-DLBZAZTESA-N 2 0 308.491 2.914 20 0 DFADRP C[C@@H]1[C@H](CO)CC[N@@H+]1CC(C)(C)C[NH+](C)Cc1ccccc1 ZINC000425977476 429356215 /nfs/dbraw/zinc/35/62/15/429356215.db2.gz VITZGDRHLBVUHJ-AEFFLSMTSA-N 2 0 304.478 2.847 20 0 DFADRP C[N@H+]1C[C@H]2CN(Cc3ccc4c(c3)CCC(C)(C)O4)C[C@H]2C1 ZINC000425989346 429357201 /nfs/dbraw/zinc/35/72/01/429357201.db2.gz RSIMBGSDJRFSIM-CALCHBBNSA-N 2 0 300.446 2.784 20 0 DFADRP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+][C@H]2CCO[C@H]2C)CC1 ZINC000449214898 429359883 /nfs/dbraw/zinc/35/98/83/429359883.db2.gz MPQPMENCLDXKDK-GJYPPUQNSA-N 2 0 302.462 2.849 20 0 DFADRP CC[C@@H]([NH2+]Cc1ccc(C(=O)NCC[NH+](C)C)cc1)C1CCC1 ZINC000449223116 429361554 /nfs/dbraw/zinc/36/15/54/429361554.db2.gz JGGNNRQMJKTAEB-GOSISDBHSA-N 2 0 317.477 2.646 20 0 DFADRP CC(C)(C)CC(C)(C)[NH+]1CCC([NH2+]CC(C)(C)C(N)=O)CC1 ZINC000449222033 429362154 /nfs/dbraw/zinc/36/21/54/429362154.db2.gz VHGXENAOJLRHNJ-UHFFFAOYSA-N 2 0 311.514 2.767 20 0 DFADRP C[C@@H](Cc1ccccc1)[NH+]1CCC([NH2+]CC2(CO)CCC2)CC1 ZINC000449239911 429366331 /nfs/dbraw/zinc/36/63/31/429366331.db2.gz LTKWEKWLGFUYDK-KRWDZBQOSA-N 2 0 316.489 2.834 20 0 DFADRP C[N@@H+]1CC[C@H]([NH2+][C@@H]2CCN(c3ccccc3F)C2)[C@H]2CCC[C@@H]21 ZINC000426296008 429381466 /nfs/dbraw/zinc/38/14/66/429381466.db2.gz PBXAPZNLIQUUDP-LMSBXDPUSA-N 2 0 317.452 2.867 20 0 DFADRP C[NH+](C)Cc1ccc(NC(=O)[C@H]2C[C@@H]3CCCC[N@@H+]3C2)cc1 ZINC000365841515 429382949 /nfs/dbraw/zinc/38/29/49/429382949.db2.gz PKDMLCBWRNWEIT-RDJZCZTQSA-N 2 0 301.434 2.561 20 0 DFADRP C[NH+](C)Cc1ccc(NC(=O)[C@@H]2C[C@H]3CCCC[N@@H+]3C2)cc1 ZINC000365841514 429383356 /nfs/dbraw/zinc/38/33/56/429383356.db2.gz PKDMLCBWRNWEIT-NVXWUHKLSA-N 2 0 301.434 2.561 20 0 DFADRP Cc1cccc(CC[N@@H+]2CCN(C3CC[NH+](C)CC3)[C@@H](C)C2)c1 ZINC000449326339 429387471 /nfs/dbraw/zinc/38/74/71/429387471.db2.gz UUSSZQAHURVTRK-SFHVURJKSA-N 2 0 315.505 2.638 20 0 DFADRP CC1CC[NH+](CCCCNC(=O)C[C@H]2CCCC[C@H]2[NH3+])CC1 ZINC000449324367 429387482 /nfs/dbraw/zinc/38/74/82/429387482.db2.gz DVFRWOBTPUKWLN-IAGOWNOFSA-N 2 0 309.498 2.522 20 0 DFADRP C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)C[C@H]1CCCC[C@@H]1[NH3+] ZINC000449326435 429388176 /nfs/dbraw/zinc/38/81/76/429388176.db2.gz VTMHAWZLKIVULZ-ZACQAIPSSA-N 2 0 309.498 2.665 20 0 DFADRP CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)C1(C[NH+](C)C)CCCCC1 ZINC000426708266 429410773 /nfs/dbraw/zinc/41/07/73/429410773.db2.gz IFIJASAESZVKON-DLBZAZTESA-N 2 0 321.509 2.584 20 0 DFADRP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+][C@@H]2CCO[C@@H]2C)CC1 ZINC000449336285 429389409 /nfs/dbraw/zinc/38/94/09/429389409.db2.gz MPQPMENCLDXKDK-GPMSIDNRSA-N 2 0 302.462 2.849 20 0 DFADRP O=C(C[C@@H]1CC[NH2+]C1)Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC000427267049 429442042 /nfs/dbraw/zinc/44/20/42/429442042.db2.gz WWBMRIAZMROJSF-KRWDZBQOSA-N 2 0 315.461 2.653 20 0 DFADRP CC[NH+]1CCN(c2ccccc2C[NH2+]Cc2cnccc2C)CC1 ZINC000449525449 429444693 /nfs/dbraw/zinc/44/46/93/429444693.db2.gz SFHPBQSVCADTEA-UHFFFAOYSA-N 2 0 324.472 2.822 20 0 DFADRP C[C@@H](CC(=O)Nc1cccc(F)c1)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000449561612 429448260 /nfs/dbraw/zinc/44/82/60/429448260.db2.gz WDFAVXIGJHOEJD-RJCAOGMDSA-N 2 0 319.424 2.758 20 0 DFADRP c1c[nH]c([C@@H](N[C@H]2CC[N@@H+](C3CCCC3)C2)c2cccnc2)n1 ZINC000366453002 429454686 /nfs/dbraw/zinc/45/46/86/429454686.db2.gz SFMFPQJKJZGGCB-RDJZCZTQSA-N 2 0 311.433 2.501 20 0 DFADRP c1c[nH]c([C@@H](N[C@@H]2CC[N@@H+](C3CCCC3)C2)c2cccnc2)n1 ZINC000366453003 429455452 /nfs/dbraw/zinc/45/54/52/429455452.db2.gz SFMFPQJKJZGGCB-WBVHZDCISA-N 2 0 311.433 2.501 20 0 DFADRP C[C@H](Cc1cnn(C)c1)[NH2+]C1CC[NH+]([C@@H]2CCC[C@@H](C)C2)CC1 ZINC000449584099 429456679 /nfs/dbraw/zinc/45/66/79/429456679.db2.gz JJPLZAJIMHPWTD-GPMSIDNRSA-N 2 0 318.509 2.984 20 0 DFADRP CCC1(C[NH2+][C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)COC1 ZINC000449601387 429459363 /nfs/dbraw/zinc/45/93/63/429459363.db2.gz RJJIUQGBXYKEEO-IPMKNSEASA-N 2 0 314.473 2.913 20 0 DFADRP CCC1(C[NH2+][C@@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)COC1 ZINC000449602451 429459428 /nfs/dbraw/zinc/45/94/28/429459428.db2.gz DHTRLDGDIDSUMQ-FUHWJXTLSA-N 2 0 302.462 2.913 20 0 DFADRP C[C@](C[NH3+])(NCc1cc(Br)cc(F)c1F)C1CC1 ZINC000519603536 429469647 /nfs/dbraw/zinc/46/96/47/429469647.db2.gz MLYVCRLSCJRHDE-CYBMUJFWSA-N 2 0 319.193 2.944 20 0 DFADRP Cn1nccc1[C@H]1CCC[C@H]([NH2+]C2CC[NH+](CC3CC3)CC2)C1 ZINC000366070729 429412974 /nfs/dbraw/zinc/41/29/74/429412974.db2.gz ABRAQPWYAOXRIW-WMZOPIPTSA-N 2 0 316.493 2.910 20 0 DFADRP COCCCOc1cc(C)ccc1C[NH2+][C@@H]1CCC[C@H]([NH3+])C1 ZINC000518217609 429414654 /nfs/dbraw/zinc/41/46/54/429414654.db2.gz SRCXKROWUZWVHT-DLBZAZTESA-N 2 0 306.450 2.770 20 0 DFADRP CO[C@@H]1COCC[C@@H]1C[NH2+]C1CC[NH+]([C@H]2CCCC[C@@H]2C)CC1 ZINC000449449898 429421239 /nfs/dbraw/zinc/42/12/39/429421239.db2.gz AERJTXJTYRWQJX-OGWHTMIXSA-N 2 0 324.509 2.671 20 0 DFADRP C[C@H]1C[N@@H+]2CCCC[C@@H]2CN1C(=O)C1(C[NH+](C)C)CCCCC1 ZINC000426887317 429423075 /nfs/dbraw/zinc/42/30/75/429423075.db2.gz VCJQUVRHNGDXGH-DLBZAZTESA-N 2 0 321.509 2.584 20 0 DFADRP C1CC2(C1)[C@H]([NH2+]C1CC[NH+](C3CCCC3)CC1)[C@@H]1CCO[C@@H]12 ZINC000122115035 275736190 /nfs/dbraw/zinc/73/61/90/275736190.db2.gz YULCEVCKMLNRJC-KSZLIROESA-N 2 0 304.478 2.941 20 0 DFADRP CC[N@H+](C)[C@@H](C(=O)NCCCC[NH+](C)C1CC1)c1ccccc1 ZINC000457203327 429425317 /nfs/dbraw/zinc/42/53/17/429425317.db2.gz OKPRLFFXQXILHB-GOSISDBHSA-N 2 0 317.477 2.670 20 0 DFADRP COc1ccc(CN2CC[C@@H]3[NH2+]CC[C@H]3C2)cc1OCC(C)C ZINC000427101209 429431596 /nfs/dbraw/zinc/43/15/96/429431596.db2.gz QDESDMVWWSTMLY-IRXDYDNUSA-N 2 0 318.461 2.914 20 0 DFADRP Cc1ccc(C[N@@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)c(-c2ccnn2C)c1 ZINC000427121469 429433408 /nfs/dbraw/zinc/43/34/08/429433408.db2.gz ITKLREDLGVXSGO-AEFFLSMTSA-N 2 0 310.445 2.579 20 0 DFADRP [NH3+]C1(CNC(=O)c2ccc(Nc3cc[nH+]cc3)cc2)CCCCC1 ZINC000428477165 429526686 /nfs/dbraw/zinc/52/66/86/429526686.db2.gz CXJYYFXHMFSSBR-UHFFFAOYSA-N 2 0 324.428 2.639 20 0 DFADRP CC(C)[N@H+](C)Cc1cccc(CNC(=O)CCCC[NH+](C)C)c1 ZINC000519671726 429477265 /nfs/dbraw/zinc/47/72/65/429477265.db2.gz IUNZMMSSEUWQMQ-UHFFFAOYSA-N 2 0 319.493 2.875 20 0 DFADRP OC[C@]1(C[NH2+]C2CC[NH+](CC3CC3)CC2)C[C@H]1c1ccccc1 ZINC000519733884 429482852 /nfs/dbraw/zinc/48/28/52/429482852.db2.gz MPDPZVURZVWQTF-VQTJNVASSA-N 2 0 314.473 2.617 20 0 DFADRP CC[N@H+](C)C[C@H](O)C[NH2+][C@H]1CCCC[C@@H]1Cc1ccccc1 ZINC000519803626 429489662 /nfs/dbraw/zinc/48/96/62/429489662.db2.gz SQEKWTWFHNPXKJ-QRVBRYPASA-N 2 0 304.478 2.690 20 0 DFADRP C[C@@H]1C[C@@H](O)C[N@H+](CC(C)(C)C[NH+](C)Cc2ccccc2)C1 ZINC000449767761 429501768 /nfs/dbraw/zinc/50/17/68/429501768.db2.gz QWCOVMVJADQTJT-SJLPKXTDSA-N 2 0 304.478 2.847 20 0 DFADRP Cc1cnc([C@@H](C)[N@@H+]2CC[C@H](CNc3cccc(C)[nH+]3)C2)cn1 ZINC000428237632 429502867 /nfs/dbraw/zinc/50/28/67/429502867.db2.gz BJMBLXFJECBTKH-HZPDHXFCSA-N 2 0 311.433 2.983 20 0 DFADRP Cc1nnc(CN2CCC(CC[N@H+]3CCCC[C@H]3C)CC2)[nH]1 ZINC000428362411 429514108 /nfs/dbraw/zinc/51/41/08/429514108.db2.gz HZBDYZAOOBJUBY-CQSZACIVSA-N 2 0 305.470 2.590 20 0 DFADRP CCC[N@@H+]1CC[C@H](C[NH2+][C@H]2CCC[C@H](c3ccnn3C)C2)C1 ZINC000366794394 429516018 /nfs/dbraw/zinc/51/60/18/429516018.db2.gz ZPWSKGCRAWQASC-IKGGRYGDSA-N 2 0 304.482 2.768 20 0 DFADRP CCN(CC)C(=[NH2+])NC[C@@]1(C)CC[N@H+](Cc2ccccc2)C1 ZINC000366822578 429520517 /nfs/dbraw/zinc/52/05/17/429520517.db2.gz QJJNZKZFUAFVJC-GOSISDBHSA-N 2 0 302.466 2.765 20 0 DFADRP C[NH+]1CC[C@@H](NC[C@H]2CCC[N@@H+](C)C2)C[C@H]1c1ccccc1 ZINC000521414166 429551315 /nfs/dbraw/zinc/55/13/15/429551315.db2.gz YTJZGJUWBVGUFP-QRQLOZEOSA-N 2 0 301.478 2.753 20 0 DFADRP FC1(F)CCCC[C@@H]1C[NH+]1CCC(C[NH+]2CCOCC2)CC1 ZINC000450267502 429589408 /nfs/dbraw/zinc/58/94/08/429589408.db2.gz XIUMNXCEKLTEQH-MRXNPFEDSA-N 2 0 316.436 2.856 20 0 DFADRP Cc1cc(C)cc(C[N@@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@@H](C)C2)c1 ZINC000367032537 429562607 /nfs/dbraw/zinc/56/26/07/429562607.db2.gz ZWYZTBIUHDXZQA-ICSRJNTNSA-N 2 0 315.505 2.761 20 0 DFADRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H]2CCC23CCOCC3)[C@H](C)C1 ZINC000367050962 429564941 /nfs/dbraw/zinc/56/49/41/429564941.db2.gz URNFIMQMWYGVFI-FGTMMUONSA-N 2 0 324.509 2.672 20 0 DFADRP CCC[C@H](C(=O)NC[C@@H]1CC[N@H+](C)[C@@H]1c1cccs1)[NH+](C)C ZINC000367052060 429565214 /nfs/dbraw/zinc/56/52/14/429565214.db2.gz HMFUUCHJPZBINA-LZWOXQAQSA-N 2 0 323.506 2.587 20 0 DFADRP COCC1(C[NH2+][C@@H]2CCN(Cc3ccccn3)C[C@@H]2C)CCC1 ZINC000367092502 429575372 /nfs/dbraw/zinc/57/53/72/429575372.db2.gz OSPUCAGVMVZOHT-FUHWJXTLSA-N 2 0 317.477 2.698 20 0 DFADRP CCC[N@H+](CC)Cc1ccc(C(=O)NC[C@@H](C)C[NH2+]C)cc1 ZINC000429235120 429588368 /nfs/dbraw/zinc/58/83/68/429588368.db2.gz QHAXEUOQTYXONU-HNNXBMFYSA-N 2 0 305.466 2.504 20 0 DFADRP CCC[NH+]1CCC(N(C)C[C@@H](C)NC(=O)OC(C)(C)C)CC1 ZINC000492438750 429537163 /nfs/dbraw/zinc/53/71/63/429537163.db2.gz UHYGJKVFFOZWTP-CQSZACIVSA-N 2 0 313.486 2.706 20 0 DFADRP CC[NH+](CC)C[C@@H]1CCN(C[C@H](C)NC(=O)OC(C)(C)C)C1 ZINC000492440802 429538279 /nfs/dbraw/zinc/53/82/79/429538279.db2.gz YDWMPTNQEGBZTL-GJZGRUSLSA-N 2 0 313.486 2.563 20 0 DFADRP CCc1nn(C)c(Cl)c1C[N@@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000366949670 429544993 /nfs/dbraw/zinc/54/49/93/429544993.db2.gz CZJLTZWZFLNITB-UHFFFAOYSA-N 2 0 324.900 2.944 20 0 DFADRP [NH3+][C@H]1CCCCCC[C@@H]1C(=O)NCC[NH2+]C1CCCCCC1 ZINC000429550816 429615100 /nfs/dbraw/zinc/61/51/00/429615100.db2.gz YUYLAPUEVUTLMB-IRXDYDNUSA-N 2 0 309.498 2.713 20 0 DFADRP COC(=O)[C@H]1C[N@H+](CCCc2cnccc2C)CC12CCC2 ZINC000367370973 429632134 /nfs/dbraw/zinc/63/21/34/429632134.db2.gz NMYWEXXLGVJBSY-MRXNPFEDSA-N 2 0 302.418 2.598 20 0 DFADRP CC[N@@H+]1CC[C@H]([NH+](C)C[C@H](O)[C@H](C)c2ccccc2)C[C@H]1C ZINC000450466242 429633408 /nfs/dbraw/zinc/63/34/08/429633408.db2.gz IJLUKKSEUOCIBF-FPAYPSAMSA-N 2 0 304.478 2.956 20 0 DFADRP CCCc1ccc2[nH+]ccc(N3CC[NH+](C[C@@H](C)O)CC3)c2c1 ZINC000450471115 429636592 /nfs/dbraw/zinc/63/65/92/429636592.db2.gz VLSUAJGQOBHPHD-OAHLLOKOSA-N 2 0 313.445 2.690 20 0 DFADRP Cc1ccc(NC(=O)C[N@H+]2CCCC3(CC[NH+](C)CC3)C2)cc1 ZINC000367201723 429595297 /nfs/dbraw/zinc/59/52/97/429595297.db2.gz VBMLCNGAQCHCOU-UHFFFAOYSA-N 2 0 315.461 2.741 20 0 DFADRP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CC[NH+](CC2CC(F)(F)C2)CC1 ZINC000450329504 429601465 /nfs/dbraw/zinc/60/14/65/429601465.db2.gz QONZAXJIFVTJRV-GASCZTMLSA-N 2 0 315.452 2.522 20 0 DFADRP CC(C)CC(=O)N1CCC(C[N@@H+]2CCC[C@H]([NH+](C)C)CC2)CC1 ZINC000367252559 429605774 /nfs/dbraw/zinc/60/57/74/429605774.db2.gz NETARAPAVBNLKR-SFHVURJKSA-N 2 0 323.525 2.687 20 0 DFADRP CCC[NH+]1CCC([NH2+]C[C@@]2(CO)C[C@@H]2c2ccc(F)cc2)CC1 ZINC000429422556 429607336 /nfs/dbraw/zinc/60/73/36/429607336.db2.gz ZSNWMWMYHBJVQQ-RTBURBONSA-N 2 0 320.452 2.756 20 0 DFADRP OC[C@]1(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)C[C@H]1c1ccc(F)cc1 ZINC000429407607 429607967 /nfs/dbraw/zinc/60/79/67/429607967.db2.gz JXFMRGPSIDMENA-AKHDSKFASA-N 2 0 318.436 2.508 20 0 DFADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]C[C@@]1(CO)C[C@H]1c1ccc(F)cc1 ZINC000429430557 429608609 /nfs/dbraw/zinc/60/86/09/429608609.db2.gz RYBCDTQAWCKBDL-CSJNCLCHSA-N 2 0 320.452 2.610 20 0 DFADRP C[C@@H](C(=O)N1CCC[N@@H+](C(C)(C)C)CC1)[NH+]1[C@H](C)CC[C@H]1C ZINC000523509863 429609561 /nfs/dbraw/zinc/60/95/61/429609561.db2.gz PUMMKAPJNRHCHM-OAGGEKHMSA-N 2 0 309.498 2.581 20 0 DFADRP OC[C@H](CC(F)F)[NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]12 ZINC000429453795 429609920 /nfs/dbraw/zinc/60/99/20/429609920.db2.gz RWLPWJIGNWXAQO-LTIDMASMSA-N 2 0 324.415 2.503 20 0 DFADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@]2(CO)C[C@H]2c2ccc(F)cc2)[C@H](C)C1 ZINC000429460194 429610017 /nfs/dbraw/zinc/61/00/17/429610017.db2.gz XENYQWQLLOQGNC-FCLVOEFKSA-N 2 0 320.452 2.612 20 0 DFADRP Cc1cccc2c(NC[C@@H]3CCC[N@@H+]3CCCO)c(C)c[nH+]c12 ZINC000450599980 429659296 /nfs/dbraw/zinc/65/92/96/429659296.db2.gz UQCPBQOKKNWUDC-INIZCTEOSA-N 2 0 313.445 2.532 20 0 DFADRP COc1ccc(OC)c(CC[NH2+][C@@H]2CC[N@H+](C)[C@H]3CCC[C@H]32)c1 ZINC000367526029 429665268 /nfs/dbraw/zinc/66/52/68/429665268.db2.gz FTJDMFLJCNANBW-KSZLIROESA-N 2 0 318.461 2.709 20 0 DFADRP COc1ccc(OC)c(CC[NH2+][C@@H]2CC[N@H+](C)[C@H]3CCC[C@@H]32)c1 ZINC000367526030 429665946 /nfs/dbraw/zinc/66/59/46/429665946.db2.gz FTJDMFLJCNANBW-KURKYZTESA-N 2 0 318.461 2.709 20 0 DFADRP CCC[C@H](C(=O)NC[C@@H](c1ccc(C)o1)[NH+]1CCCC1)[NH+](C)C ZINC000161910399 276038350 /nfs/dbraw/zinc/03/83/50/276038350.db2.gz FQLTWHXOQHYVPL-CVEARBPZSA-N 2 0 321.465 2.571 20 0 DFADRP CC[NH+](CC)Cc1cccc(CNC(=O)CC2CC[NH2+]CC2)c1 ZINC000164744999 276109956 /nfs/dbraw/zinc/10/99/56/276109956.db2.gz QTSRUPAUOKIKPA-UHFFFAOYSA-N 2 0 317.477 2.534 20 0 DFADRP CC1(C)CC[C@H](C[NH+]2CCC(CCC[NH+]3CCOCC3)CC2)O1 ZINC000187464273 276116496 /nfs/dbraw/zinc/11/64/96/276116496.db2.gz NVEJWMHSWFENLV-GOSISDBHSA-N 2 0 324.509 2.768 20 0 DFADRP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@H]2CCCc3sccc32)CC1 ZINC000121308998 276196261 /nfs/dbraw/zinc/19/62/61/276196261.db2.gz IGJRCLPBBQTWAQ-WBVHZDCISA-N 2 0 321.534 2.989 20 0 DFADRP CC[NH+]1CCN([C@H](C)C[NH2+][C@@H]2CC(C)(C)Cc3occc32)CC1 ZINC000155621953 276199355 /nfs/dbraw/zinc/19/93/55/276199355.db2.gz BEFSAJUZVKOAHP-NVXWUHKLSA-N 2 0 319.493 2.909 20 0 DFADRP C[NH+](C)Cc1cc(C[NH2+][C@@H]2CC[N@H+](C)[C@H]3CCC[C@H]32)ccc1F ZINC000367603084 429681560 /nfs/dbraw/zinc/68/15/60/429681560.db2.gz YDYUWZPMVCUIIX-UHOSZYNNSA-N 3 0 319.468 2.850 20 0 DFADRP CSc1ccccc1NC(=O)[C@H](C)N1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000430544192 429689092 /nfs/dbraw/zinc/68/90/92/429689092.db2.gz NLZUINNQQQOJHI-RDBSUJKOSA-N 2 0 321.490 2.795 20 0 DFADRP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccc(NC(C)=O)cc2)[C@H](C)C1 ZINC000093639010 276225515 /nfs/dbraw/zinc/22/55/15/276225515.db2.gz XBWVTBGBQMJKTP-KDOFPFPSSA-N 2 0 303.450 2.807 20 0 DFADRP Cc1ccc([C@H]([NH3+])C(=O)NCC2([NH+](C)C)CCCCCC2)cc1 ZINC000430588921 429698446 /nfs/dbraw/zinc/69/84/46/429698446.db2.gz BDIWNJVBFMABDS-KRWDZBQOSA-N 2 0 317.477 2.766 20 0 DFADRP CC[NH2+]CC1CC[NH+]([C@H](C)C(=O)Nc2c(C)cccc2C)CC1 ZINC000430596441 429698902 /nfs/dbraw/zinc/69/89/02/429698902.db2.gz OCVOPWRYLQIQFX-MRXNPFEDSA-N 2 0 317.477 2.952 20 0 DFADRP CCOC[C@@H]1CCC[C@@H]1[NH2+]C1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000354452081 276330822 /nfs/dbraw/zinc/33/08/22/276330822.db2.gz BTBLFIJMYILZHF-KANFNMMFSA-N 2 0 324.509 2.549 20 0 DFADRP CCOC[C@@H]1CCC[C@@H]1[NH2+]C1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000354452082 276330830 /nfs/dbraw/zinc/33/08/30/276330830.db2.gz BTBLFIJMYILZHF-WNHJNPCNSA-N 2 0 324.509 2.549 20 0 DFADRP C[N@H+](CCCc1nc(-c2ccccc2)no1)CC(C)(C)C[NH3+] ZINC000430576343 429695873 /nfs/dbraw/zinc/69/58/73/429695873.db2.gz BIRNGHRGBRCVKM-UHFFFAOYSA-N 2 0 302.422 2.586 20 0 DFADRP CC[N@@H+]1CCCC[C@H]1CNC(=O)[C@H]1CC[NH+](C2CCCCC2)C1 ZINC000361527791 276366156 /nfs/dbraw/zinc/36/61/56/276366156.db2.gz SXNDEHUGSYKCEX-WMZOPIPTSA-N 2 0 321.509 2.632 20 0 DFADRP Cc1nn(C)c(C)c1C[N@H+](C)C1CCN(c2cc[nH+]cc2)CC1 ZINC000367687008 429699850 /nfs/dbraw/zinc/69/98/50/429699850.db2.gz MUWCCVPGRIUIRC-UHFFFAOYSA-N 2 0 313.449 2.533 20 0 DFADRP CC(C)[C@H]([NH3+])CC[N@H+](C)CCCc1nc(-c2ccccc2)no1 ZINC000430591527 429697910 /nfs/dbraw/zinc/69/79/10/429697910.db2.gz KIBZBNNAICMGHQ-MRXNPFEDSA-N 2 0 316.449 2.974 20 0 DFADRP CC(C)[C@H](O)C[N@H+](C)[C@@H]1CCN(Cc2ccccc2)C[C@H]1C ZINC000367930573 429745770 /nfs/dbraw/zinc/74/57/70/429745770.db2.gz JDKBPJCEVOBHIK-BHIYHBOVSA-N 2 0 304.478 2.846 20 0 DFADRP CC(C)C(C[NH+]1CCC(C[NH+]2CCN(C)CC2)CC1)C(C)C ZINC000367690044 429701816 /nfs/dbraw/zinc/70/18/16/429701816.db2.gz TUJGOLZJTQIODC-UHFFFAOYSA-N 2 0 309.542 2.874 20 0 DFADRP C[NH2+]C[C@@H]1CCC[N@H+](CCCc2nc(-c3ccccc3)no2)C1 ZINC000430629742 429704246 /nfs/dbraw/zinc/70/42/46/429704246.db2.gz QTYNHQYKPFYCKC-HNNXBMFYSA-N 2 0 314.433 2.601 20 0 DFADRP CC(=O)Nc1ccc(CC[NH2+][C@@H]2CC[N@@H+](C)[C@H]3CCC[C@@H]32)cc1 ZINC000367738363 429709446 /nfs/dbraw/zinc/70/94/46/429709446.db2.gz UAKQOJXDCUMTIM-QRVBRYPASA-N 2 0 315.461 2.650 20 0 DFADRP CC[N@H+](C)[C@@H](C(=O)NC[C@H]1[NH2+]CCCC1(C)C)c1ccccc1 ZINC000430731248 429714690 /nfs/dbraw/zinc/71/46/90/429714690.db2.gz LFYVXNCJLAYHPY-IAGOWNOFSA-N 2 0 317.477 2.574 20 0 DFADRP CC[NH+](CC)C[C@H]1CCCC[C@H]1NC(=O)c1ccc(C[NH3+])cc1 ZINC000430776198 429716106 /nfs/dbraw/zinc/71/61/06/429716106.db2.gz OGYOBAGOQOYSLE-QZTJIDSGSA-N 2 0 317.477 2.776 20 0 DFADRP CC1CC[NH+](C[C@H](O)C[NH2+]CCSCc2ccccc2)CC1 ZINC000430775009 429716778 /nfs/dbraw/zinc/71/67/78/429716778.db2.gz FKOZORNVHPHBPJ-GOSISDBHSA-N 2 0 322.518 2.602 20 0 DFADRP CC(C)[C@@H](O)C[NH+]1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000367785145 429717382 /nfs/dbraw/zinc/71/73/82/429717382.db2.gz WEGIVJOFZLNYOS-IBGZPJMESA-N 2 0 316.489 2.991 20 0 DFADRP Cc1cc(C)c(NC(=O)[C@H](C)[NH+]2CCC([C@H](C)[NH3+])CC2)c(C)c1 ZINC000430919644 429723909 /nfs/dbraw/zinc/72/39/09/429723909.db2.gz RGNYCLGKIZUSBZ-HOTGVXAUSA-N 2 0 317.477 2.998 20 0 DFADRP CCC[C@H]([NH2+]CCC[N@@H+]1CCC[C@@H](C(N)=O)C1)C1CCCCC1 ZINC000482549049 429725814 /nfs/dbraw/zinc/72/58/14/429725814.db2.gz CAGSUESIXXGSAC-MSOLQXFVSA-N 2 0 323.525 2.912 20 0 DFADRP CC[C@H]([NH2+]C[C@H]1CC[N@H+](CCc2ccccc2)C1)[C@H]1CCOC1 ZINC000482436598 429727046 /nfs/dbraw/zinc/72/70/46/429727046.db2.gz IYWKNFMDDTWMDR-AABGKKOBSA-N 2 0 316.489 2.956 20 0 DFADRP C[C@H]([NH3+])C1CC[NH+]([C@@H](C)C(=O)Nc2ccc(Cl)cc2)CC1 ZINC000430938360 429727267 /nfs/dbraw/zinc/72/72/67/429727267.db2.gz BMGOPVYFOQGCNK-RYUDHWBXSA-N 2 0 309.841 2.726 20 0 DFADRP CSc1ccc(NC(=O)[C@@H](C)[NH+]2CCC([C@H](C)[NH3+])CC2)cc1 ZINC000430955495 429729986 /nfs/dbraw/zinc/72/99/86/429729986.db2.gz AQHNLGJBOLMZFS-QWHCGFSZSA-N 2 0 321.490 2.795 20 0 DFADRP C[C@H]1C[N@H+](CCc2nc(-c3ccc(Cl)cc3)no2)CC[C@@H]1[NH3+] ZINC000430970874 429730722 /nfs/dbraw/zinc/73/07/22/429730722.db2.gz IWZLTKGQDCXNGX-FZMZJTMJSA-N 2 0 320.824 2.602 20 0 DFADRP C[C@@H]([NH3+])C1CC[NH+](CC(=O)N[C@@H](C)c2ccc(Cl)cc2)CC1 ZINC000430966946 429732388 /nfs/dbraw/zinc/73/23/88/429732388.db2.gz QHKPFFBEUMVGFL-OLZOCXBDSA-N 2 0 323.868 2.576 20 0 DFADRP CN(CCC[N@H+](C)C[C@@H]1CCCCC1(F)F)CC[NH+](C)C ZINC000451041419 429754289 /nfs/dbraw/zinc/75/42/89/429754289.db2.gz NNCCLWNRMXQFNC-HNNXBMFYSA-N 2 0 305.457 2.627 20 0 DFADRP Cc1cc(C[NH+]2CCC(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)ccn1 ZINC000527535942 429758626 /nfs/dbraw/zinc/75/86/26/429758626.db2.gz VXOOENJFKNMWKW-CALCHBBNSA-N 2 0 317.477 2.711 20 0 DFADRP C[C@H](c1ccccc1)[C@@H](O)C[N@@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000451070360 429761131 /nfs/dbraw/zinc/76/11/31/429761131.db2.gz OLYJJJJCVTVPDI-NEWSRXKRSA-N 2 0 302.462 2.569 20 0 DFADRP CN1CCN(C)[C@H](C[NH2+][C@H]2CCC[C@@H](c3ccccc3)CC2)C1 ZINC000527658634 429776072 /nfs/dbraw/zinc/77/60/72/429776072.db2.gz XYADRJHAOTYBJC-HSALFYBXSA-N 2 0 315.505 2.938 20 0 DFADRP C[N@@H+]1CCCC[C@@H]1CCC(=O)NC1CC[NH+](C(C)(C)C)CC1 ZINC000431729387 429779975 /nfs/dbraw/zinc/77/99/75/429779975.db2.gz COWXTYWRRDFNFC-MRXNPFEDSA-N 2 0 309.498 2.630 20 0 DFADRP C[C@H]1CCC[N@H+](CCNC(=O)[C@H]2CCCC[NH+]2C2CCCC2)C1 ZINC000431749388 429780435 /nfs/dbraw/zinc/78/04/35/429780435.db2.gz KVAHYJPDPSOMTO-FUHWJXTLSA-N 2 0 321.509 2.632 20 0 DFADRP C[C@H]1CCC[N@H+](CCNC(=O)C[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC000431748857 429781616 /nfs/dbraw/zinc/78/16/16/429781616.db2.gz JCLJPVOXPJZHNC-WMZOPIPTSA-N 2 0 317.477 2.528 20 0 DFADRP c1cn(CCC[N@H+]2C[C@@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)cn1 ZINC000368130992 429793271 /nfs/dbraw/zinc/79/32/71/429793271.db2.gz IEXDMDBXHOALSG-WOJBJXKFSA-N 3 0 324.472 2.727 20 0 DFADRP C[C@@H]1C[N@H+](CCC[NH2+]C[C@H]2C[C@@H]2c2ccccc2)CCCO1 ZINC000432346351 429815619 /nfs/dbraw/zinc/81/56/19/429815619.db2.gz LGQDKPXZUDRSST-BHIYHBOVSA-N 2 0 302.462 2.881 20 0 DFADRP OC1CC(CC[NH2+][C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)C1 ZINC000432427589 429824099 /nfs/dbraw/zinc/82/40/99/429824099.db2.gz ZRIKDVOSAJIWDT-KMMPOOCJSA-N 2 0 314.473 2.648 20 0 DFADRP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC12CC(C1)CO2 ZINC000527976289 429829967 /nfs/dbraw/zinc/82/99/67/429829967.db2.gz DJKVKUAKERHXGE-BARLLCKDSA-N 2 0 300.446 2.666 20 0 DFADRP c1ccc(C[N@H+]2C[C@@H]3CC[C@@H]([NH2+]CC45CC(C4)CO5)[C@@H]3C2)cc1 ZINC000527982103 429830827 /nfs/dbraw/zinc/83/08/27/429830827.db2.gz QLNPWSLBZAAEJN-YJGITHLRSA-N 2 0 312.457 2.666 20 0 DFADRP C[N@H+](Cc1ccccc1)C1CCC([NH2+]CC2CC(O)C2)CC1 ZINC000528019860 429837677 /nfs/dbraw/zinc/83/76/77/429837677.db2.gz UOSYZCDDHJPCNN-UHFFFAOYSA-N 2 0 302.462 2.790 20 0 DFADRP C[C@H](C[NH2+][C@@H]1CCN(C2CC[NH+](C)CC2)C1)Cc1ccccc1 ZINC000368375101 429838361 /nfs/dbraw/zinc/83/83/61/429838361.db2.gz RMAIKEZGNLYQHB-PKOBYXMFSA-N 2 0 315.505 2.623 20 0 DFADRP c1ccc(C[N@H+]2C[C@@H]3CCCC[C@H]([NH2+]CC4COC4)[C@H]3C2)cc1 ZINC000528024951 429839103 /nfs/dbraw/zinc/83/91/03/429839103.db2.gz FHZXYLLGRRPMSX-UFYCRDLUSA-N 2 0 314.473 2.913 20 0 DFADRP c1ccc2c(c1)CC[C@H]([NH2+]C1CC[NH+](C3CCC3)CC1)CO2 ZINC000493895318 429848678 /nfs/dbraw/zinc/84/86/78/429848678.db2.gz WIFLSYOCKWIANX-KRWDZBQOSA-N 2 0 300.446 2.987 20 0 DFADRP C[C@@H]1C[N@H+](C[C@H]2CCCO2)CC[C@H]1[NH2+]CCCC1CCOCC1 ZINC000368492625 429858028 /nfs/dbraw/zinc/85/80/28/429858028.db2.gz CYUADWLVFJYELE-BHIYHBOVSA-N 2 0 324.509 2.672 20 0 DFADRP CC(C)n1cc(CNC[C@@H]2CC[N@H+](C)[C@H]2c2ccccc2)nn1 ZINC000368559255 429866513 /nfs/dbraw/zinc/86/65/13/429866513.db2.gz ZOANBQUNTCWTAX-WMZOPIPTSA-N 2 0 313.449 2.642 20 0 DFADRP CC1=C[C@H](C)C[C@@H](C[NH+]2CCC(C[NH+]3CCN(C)CC3)CC2)C1 ZINC000368219247 429810442 /nfs/dbraw/zinc/81/04/42/429810442.db2.gz AUVWXULWVMCVRC-FXAWDEMLSA-N 2 0 319.537 2.938 20 0 DFADRP C[C@H]([NH2+]CCc1ccc(OCC[NH+](C)C)cc1)[C@@H]1CC12CC2 ZINC000527857987 429810541 /nfs/dbraw/zinc/81/05/41/429810541.db2.gz GHBVYLBOCKHCSY-YJBOKZPZSA-N 2 0 302.462 2.948 20 0 DFADRP Cc1noc(C2CCC([NH2+]CC3(C)CC[NH+](C)CC3)CC2)n1 ZINC000368653178 429883217 /nfs/dbraw/zinc/88/32/17/429883217.db2.gz QMLHIMFKUCZKRQ-UHFFFAOYSA-N 2 0 306.454 2.726 20 0 DFADRP Cc1cccc2c1[nH+]cc(C)c2N1CCC[N@@H+]([C@H](C)CO)CC1 ZINC000368965735 429904151 /nfs/dbraw/zinc/90/41/51/429904151.db2.gz VRJANERNWGUMIP-MRXNPFEDSA-N 2 0 313.445 2.745 20 0 DFADRP C[C@@H]1CC[N@H+](Cc2ccc(-c3cc[nH]n3)o2)C[C@@H]1n1ccnc1 ZINC000369484530 429954703 /nfs/dbraw/zinc/95/47/03/429954703.db2.gz NIFPGWFLGWYPQE-CJNGLKHVSA-N 2 0 311.389 2.949 20 0 DFADRP C[NH+](C)[C@@H](CNC(=O)CC[C@H]1CCCC[N@@H+]1C)c1ccccc1 ZINC000558348674 429967618 /nfs/dbraw/zinc/96/76/18/429967618.db2.gz CMJKTDNYNVWJEK-MSOLQXFVSA-N 2 0 317.477 2.670 20 0 DFADRP Cc1cccc(C)c1NC(=O)C[N@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC000639757663 429970162 /nfs/dbraw/zinc/97/01/62/429970162.db2.gz LGLMHJXSRMVJOV-UHFFFAOYSA-N 2 0 315.461 2.660 20 0 DFADRP CN(CCC[N@@H+]1CCC2(C1)CC[NH+](C)CC2)c1ccccc1 ZINC000639756517 429970902 /nfs/dbraw/zinc/97/09/02/429970902.db2.gz WKDQKVVUJOAYPM-UHFFFAOYSA-N 2 0 301.478 2.931 20 0 DFADRP C[NH+]1CCC2(CC[N@H+](Cc3cnn(-c4ccccc4)c3)C2)CC1 ZINC000639760676 429972765 /nfs/dbraw/zinc/97/27/65/429972765.db2.gz ZPFJWADOGQPWMS-UHFFFAOYSA-N 2 0 310.445 2.790 20 0 DFADRP CCN(C(=O)C[N@@H+]1CCC2(C1)CC[NH+](C)CC2)C1CCCCC1 ZINC000639760845 429972866 /nfs/dbraw/zinc/97/28/66/429972866.db2.gz BIBHRECICFRTIU-UHFFFAOYSA-N 2 0 321.509 2.585 20 0 DFADRP CC[C@]1(C[NH2+][C@H]2CC[N@H+](C)C[C@H]2C)OCCc2ccccc21 ZINC000558500702 429975281 /nfs/dbraw/zinc/97/52/81/429975281.db2.gz JTUSYJUWPVWSFE-AYOQOUSVSA-N 2 0 302.462 2.794 20 0 DFADRP C[C@H]([NH2+]C[C@@H]1CCN(c2ccc(F)cc2)C1)[C@H]1CCC[NH2+]C1 ZINC000573792994 429982949 /nfs/dbraw/zinc/98/29/49/429982949.db2.gz CRFKLUOEWKIQLB-JYJNAYRXSA-N 2 0 305.441 2.630 20 0 DFADRP CC(C)NC(=O)[C@@H]1CCC[C@H]([NH2+][C@H](C)C[C@H]2CCCCC[NH2+]2)C1 ZINC000573197750 429932230 /nfs/dbraw/zinc/93/22/30/429932230.db2.gz ZTOLGUWTWMDRRD-TVFCKZIOSA-N 2 0 323.525 2.970 20 0 DFADRP Cc1ccc(OC[C@H](O)C[NH2+][C@H]2CCC[C@H]([NH+](C)C)C2)c(C)c1 ZINC000573437433 429950903 /nfs/dbraw/zinc/95/09/03/429950903.db2.gz AIVPBPAJXYTRKQ-OKZBNKHCSA-N 2 0 320.477 2.506 20 0 DFADRP C[C@H]([NH2+]C[C@@H](c1ccccc1Cl)N(C)C)[C@H]1CCC[NH2+]C1 ZINC000573830962 429986572 /nfs/dbraw/zinc/98/65/72/429986572.db2.gz GXFFMWJUANKMBR-ZQIUZPCESA-N 2 0 309.885 2.920 20 0 DFADRP C[NH+]1CCN(CCC(C)(C)[NH2+]Cc2cnc(C3CC3)s2)CC1 ZINC000574508939 430048861 /nfs/dbraw/zinc/04/88/61/430048861.db2.gz YAURHSCPAAUXSG-UHFFFAOYSA-N 2 0 322.522 2.526 20 0 DFADRP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](Cc3cnc(-c4ccccc4)nc3)C[C@@H]21 ZINC000574277289 430027845 /nfs/dbraw/zinc/02/78/45/430027845.db2.gz OHKRUMVPEJNLOB-FGTMMUONSA-N 2 0 308.429 2.703 20 0 DFADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)Cc1ccncc1Cl ZINC000529566699 430031909 /nfs/dbraw/zinc/03/19/09/430031909.db2.gz FRRBWHHNZXJANS-INIZCTEOSA-N 2 0 324.900 2.583 20 0 DFADRP C[C@@H]1C[C@@H](C)C[NH+](CCC[NH2+]C[C@@H](O)Cc2ccc(F)cc2)C1 ZINC000560343209 430034698 /nfs/dbraw/zinc/03/46/98/430034698.db2.gz VCWUKFQTVYRCGW-MDZRGWNJSA-N 2 0 322.468 2.687 20 0 DFADRP CC(C)[NH+](CCNC(=O)c1ccccc1C[NH+](C)C)C(C)C ZINC000560364550 430036192 /nfs/dbraw/zinc/03/61/92/430036192.db2.gz YABXBCXAOPKGFN-UHFFFAOYSA-N 2 0 305.466 2.597 20 0 DFADRP COCC[N@H+](C)CC[C@H](N[C@H]1CCC[C@H]([NH3+])C1)c1ccccc1 ZINC000574415134 430040235 /nfs/dbraw/zinc/04/02/35/430040235.db2.gz SYQLFIOYRAXBRH-FHWLQOOXSA-N 2 0 319.493 2.556 20 0 DFADRP COc1ccc(C[NH+]2CCC([C@H]3OCCC[C@H]3[NH3+])CC2)c(F)c1 ZINC000574044625 430006493 /nfs/dbraw/zinc/00/64/93/430006493.db2.gz JIRVFLHOMBPMAK-QZTJIDSGSA-N 2 0 322.424 2.553 20 0 DFADRP CC[C@H](C(=O)OC)N(C)C[C@@H]1CC[N@H+](Cc2ccc(C)s2)C1 ZINC000574088500 430008751 /nfs/dbraw/zinc/00/87/51/430008751.db2.gz BMYCUURUROWAIW-GOEBONIOSA-N 2 0 324.490 2.762 20 0 DFADRP CC[C@H](C(=O)OC)N(C)C[C@H]1CC[N@H+](Cc2ccc(C)s2)C1 ZINC000574088499 430009110 /nfs/dbraw/zinc/00/91/10/430009110.db2.gz BMYCUURUROWAIW-GDBMZVCRSA-N 2 0 324.490 2.762 20 0 DFADRP CC[C@@H](C(=O)OC)N(C)C[C@H]1CC[N@H+](Cc2ccc(C)s2)C1 ZINC000574088502 430009479 /nfs/dbraw/zinc/00/94/79/430009479.db2.gz BMYCUURUROWAIW-ZBFHGGJFSA-N 2 0 324.490 2.762 20 0 DFADRP CC(C)[NH+]1CCN([C@@H]2CC[N@H+](C[C@@H]3CCCC3(F)F)C2)CC1 ZINC000560218243 430027047 /nfs/dbraw/zinc/02/70/47/430027047.db2.gz PQPQVWHGKVRGHH-JKSUJKDBSA-N 2 0 315.452 2.522 20 0 DFADRP O[C@@H]1CC[N@H+](Cc2ccc(-n3ccnc3)cc2)[C@@H]2CCCC[C@@H]12 ZINC000640098791 430087996 /nfs/dbraw/zinc/08/79/96/430087996.db2.gz PPIHIGYYUQMFDG-GUDVDZBRSA-N 2 0 311.429 2.998 20 0 DFADRP COc1ccc2c(c1)C[C@@H]([NH2+][C@@H]1CC[NH2+]CC(C)(C)C1)CC2 ZINC000634733617 430092655 /nfs/dbraw/zinc/09/26/55/430092655.db2.gz JRADOPJZRLHDGF-DLBZAZTESA-N 2 0 302.462 2.920 20 0 DFADRP C[C@@H](CC(=O)Nc1ccc(F)cc1)[NH2+][C@H]1CC[NH2+]CC(C)(C)C1 ZINC000634734004 430093161 /nfs/dbraw/zinc/09/31/61/430093161.db2.gz UNZNLJFJRLSQHZ-BBRMVZONSA-N 2 0 321.440 2.911 20 0 DFADRP CC1(C)C[NH2+]CC[C@H](N[C@@H]2CC[NH2+][C@H](c3ccccc3)C2)C1 ZINC000634734074 430093364 /nfs/dbraw/zinc/09/33/64/430093364.db2.gz WECLZCAXNMWFEO-SQNIBIBYSA-N 3 0 301.478 2.848 20 0 DFADRP COc1cccc2c1CC[C@H]([NH2+]C[C@H]1CC[N@@H+](C(C)C)C1)C2 ZINC000561976899 430103381 /nfs/dbraw/zinc/10/33/81/430103381.db2.gz VVDHWBYHCRHFFB-WBVHZDCISA-N 2 0 302.462 2.872 20 0 DFADRP CO[C@H](C[N@@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1)c1ccc(F)cc1 ZINC000530221072 430106171 /nfs/dbraw/zinc/10/61/71/430106171.db2.gz CEKRZFYPQNGJBE-RYQLBKOJSA-N 2 0 306.425 2.977 20 0 DFADRP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCC[N@@H+]2Cc2ncccc2Cl)C1 ZINC000530221540 430106383 /nfs/dbraw/zinc/10/63/83/430106383.db2.gz GFEGWVNPIPSIOX-DAXOMENPSA-N 2 0 309.841 2.596 20 0 DFADRP COc1cccc([C@H](C)[NH+]2CCC(CO[C@H]3CC[NH2+]C3)CC2)c1 ZINC000530243008 430108129 /nfs/dbraw/zinc/10/81/29/430108129.db2.gz WFHDIWSTLWHLGX-KXBFYZLASA-N 2 0 318.461 2.847 20 0 DFADRP CC1(C)C[NH2+]CC[C@@H](NC(=O)CC[C@@H]([NH3+])CC2CCCCC2)C1 ZINC000634764204 430108232 /nfs/dbraw/zinc/10/82/32/430108232.db2.gz NHACRWPXNKRWRJ-IAGOWNOFSA-N 2 0 323.525 2.959 20 0 DFADRP CCCCN(C)C[C@@H](C)[NH2+][C@H]1C[C@@H](OCC)C12CCOCC2 ZINC000562090826 430108599 /nfs/dbraw/zinc/10/85/99/430108599.db2.gz VYHNHTRAXMCMSV-IXDOHACOSA-N 2 0 312.498 2.671 20 0 DFADRP Cc1ncc([C@@H](C)[NH2+]CCCN2CC[NH+](C(C)C)CC2)s1 ZINC000639995381 430050581 /nfs/dbraw/zinc/05/05/81/430050581.db2.gz KRJFATHFHZHBMP-CQSZACIVSA-N 2 0 310.511 2.518 20 0 DFADRP COCC1([NH2+]C2CC[NH+]([C@@H]3CCCC[C@H]3C)CC2)CCOCC1 ZINC000560557744 430054894 /nfs/dbraw/zinc/05/48/94/430054894.db2.gz YFFLGDKIIGLFSK-SJLPKXTDSA-N 2 0 324.509 2.815 20 0 DFADRP COCC1([NH2+]C2CC[NH+]([C@@H]3CCC[C@H](C)C3)CC2)CCOCC1 ZINC000560556372 430055565 /nfs/dbraw/zinc/05/55/65/430055565.db2.gz DHIBDXBJIYEJMU-FUHWJXTLSA-N 2 0 324.509 2.815 20 0 DFADRP CCCN1CCC[C@H]1C[NH2+][C@H]1CCC[C@H](c2ccnn2C)C1 ZINC000560583454 430057006 /nfs/dbraw/zinc/05/70/06/430057006.db2.gz YHWMLOPSDHAVDZ-ULQDDVLXSA-N 2 0 304.482 2.910 20 0 DFADRP C[NH+](C)CCOc1ccccc1C[NH2+][C@@H]1CCOC(C)(C)C1 ZINC000634679348 430074338 /nfs/dbraw/zinc/07/43/38/430074338.db2.gz RMCBUCRODRKQHK-MRXNPFEDSA-N 2 0 306.450 2.674 20 0 DFADRP C[C@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)CC[N@H+](C)C1CCCCC1 ZINC000561228921 430082617 /nfs/dbraw/zinc/08/26/17/430082617.db2.gz FZLMMGJYJNYBMW-WMZOPIPTSA-N 2 0 321.509 2.726 20 0 DFADRP O[C@@H]1CC[N@H+](Cc2ccc(-n3ccnc3)cc2)[C@@H]2CCCC[C@H]12 ZINC000640098792 430087197 /nfs/dbraw/zinc/08/71/97/430087197.db2.gz PPIHIGYYUQMFDG-IPMKNSEASA-N 2 0 311.429 2.998 20 0 DFADRP C[C@H](CCc1n[nH]c2ccccc21)[N@@H+]1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000562748204 430175950 /nfs/dbraw/zinc/17/59/50/430175950.db2.gz ZLZWJCSSVRVLAW-HBUWYVDXSA-N 2 0 300.450 2.801 20 0 DFADRP COc1ccc(CCC[NH2+][C@@H](C)[C@@H]2CCC[NH2+]C2)cc1OC ZINC000562747979 430176524 /nfs/dbraw/zinc/17/65/24/430176524.db2.gz DQSVQSRGVRJBIC-GOEBONIOSA-N 2 0 306.450 2.614 20 0 DFADRP C[C@@H]([NH2+][C@@H]1CCC[NH2+]CC1)c1ccc(NC(=O)C2CC2)cc1 ZINC000580550468 430134394 /nfs/dbraw/zinc/13/43/94/430134394.db2.gz HJRFMHLGUZQMIP-CZUORRHYSA-N 2 0 301.434 2.828 20 0 DFADRP CN(Cc1nc(C(C)(C)[NH3+])no1)[C@@H]1CCCc2ccccc21 ZINC000580552043 430134428 /nfs/dbraw/zinc/13/44/28/430134428.db2.gz LYBKKGIPOBTQEA-CQSZACIVSA-N 2 0 300.406 2.773 20 0 DFADRP Cn1cncc1CC[NH2+][C@H]1CCN(Cc2ccccc2)C2(CC2)C1 ZINC000580551499 430134498 /nfs/dbraw/zinc/13/44/98/430134498.db2.gz PTXWVWZKUDQGDE-SFHVURJKSA-N 2 0 324.472 2.749 20 0 DFADRP CC[C@H]([NH3+])C(=O)NC[C@H](c1ccccc1Cl)[NH+](CC)CC ZINC000163580498 287926808 /nfs/dbraw/zinc/92/68/08/287926808.db2.gz OLHQXVKQASBJHK-LSDHHAIUSA-N 2 0 311.857 2.576 20 0 DFADRP C[C@@H]([NH2+]CC[C@@H]1CCC[N@H+](C)C1)c1ccc2c(c1)CCC(=O)N2 ZINC000580702061 430145325 /nfs/dbraw/zinc/14/53/25/430145325.db2.gz VVNRIMOUAKWSEL-CABCVRRESA-N 2 0 315.461 2.954 20 0 DFADRP C[N@@H+]1CCCN(CCC[NH2+][C@@H]2CCCc3ccccc32)CC1 ZINC000128568154 277051609 /nfs/dbraw/zinc/05/16/09/277051609.db2.gz DMNOFFYZULOQQY-LJQANCHMSA-N 2 0 301.478 2.681 20 0 DFADRP C[N@@H+]1CCC[C@@H]1CC[NH+]1CCC[C@H](C(=O)N2CCCCCC2)C1 ZINC000371322556 277060336 /nfs/dbraw/zinc/06/03/36/277060336.db2.gz ZTQNLSBTTQSAGD-ZWKOTPCHSA-N 2 0 321.509 2.585 20 0 DFADRP Clc1ccccc1C1(C[NH2+]CC23CC(C2)C[NH2+]3)CCOCC1 ZINC000634996124 430186796 /nfs/dbraw/zinc/18/67/96/430186796.db2.gz ZWOSWNPFIYETCJ-UHFFFAOYSA-N 2 0 320.864 2.730 20 0 DFADRP C[N@@H+]1CCC[C@@H]1CC[NH+]1C[C@H](c2ccccc2)[C@H]2COCC[C@@H]21 ZINC000285965784 277061851 /nfs/dbraw/zinc/06/18/51/277061851.db2.gz NHMZVRORXZWFRX-WTGUMLROSA-N 2 0 314.473 2.975 20 0 DFADRP Nc1ccc(-c2cccc(C[NH2+][C@@H]3CCCC[C@@H]3C[NH3+])n2)cc1 ZINC000634994953 430187436 /nfs/dbraw/zinc/18/74/36/430187436.db2.gz QXZPQBCLOPEQJB-CRAIPNDOSA-N 2 0 310.445 2.938 20 0 DFADRP C[C@H]([NH3+])C[C@H](C)[NH2+][C@@H]1[C@H]2Cc3cc(Br)ccc3[C@@H]12 ZINC000635005061 430194425 /nfs/dbraw/zinc/19/44/25/430194425.db2.gz LQMCFOYVHNOHIV-LRQZZLGCSA-N 2 0 309.251 2.803 20 0 DFADRP C[C@H](CC(=O)Nc1ccc(F)cc1)[NH2+][C@H]1CC[C@H](C[NH3+])CC1 ZINC000635007310 430194829 /nfs/dbraw/zinc/19/48/29/430194829.db2.gz PCYQEXZERUJIAJ-UMVBOHGHSA-N 2 0 307.413 2.650 20 0 DFADRP CC[N@H+](CCC1CCN(CC23CC(C2)C[NH2+]3)CC1)CC1CC1 ZINC000634995032 430187686 /nfs/dbraw/zinc/18/76/86/430187686.db2.gz SNGSCKYEIKGURW-UHFFFAOYSA-N 2 0 305.510 2.572 20 0 DFADRP C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNCC12CC(C1)C[NH2+]2 ZINC000634995369 430187724 /nfs/dbraw/zinc/18/77/24/430187724.db2.gz BXYNJERGVKBYEW-VXESANQCSA-N 2 0 313.489 2.903 20 0 DFADRP CCCOc1c(C[N@H+]2C[C@@H](C[NH3+])[C@H](C)C2)cccc1OCC ZINC000635000443 430188498 /nfs/dbraw/zinc/18/84/98/430188498.db2.gz OKGWZOISWOPYQJ-GDBMZVCRSA-N 2 0 306.450 2.901 20 0 DFADRP C[C@@H]1C[N@H+](Cc2ccccc2OCc2ccccn2)C[C@H]1C[NH3+] ZINC000634998615 430188789 /nfs/dbraw/zinc/18/87/89/430188789.db2.gz IMHRKBKFJCFKKR-NVXWUHKLSA-N 2 0 311.429 2.687 20 0 DFADRP C[NH+]1CCN(C[C@@H]2CCC[N@@H+]([C@H]3C[C@H]3c3ccccc3)C2)CC1 ZINC000368260273 277107333 /nfs/dbraw/zinc/10/73/33/277107333.db2.gz IXIRMPQOPYOJQR-IHPCNDPISA-N 2 0 313.489 2.502 20 0 DFADRP C[C@H]1C[N@H+](Cc2ccccc2OCc2cccnc2)C[C@@H]1C[NH3+] ZINC000634999059 430189818 /nfs/dbraw/zinc/18/98/18/430189818.db2.gz PGKGGIGBCUEFJI-YJBOKZPZSA-N 2 0 311.429 2.687 20 0 DFADRP C[C@H]([NH2+][C@@H]1[C@H]2Cc3cc(Br)ccc3[C@@H]12)[C@@H]1CC[NH2+]C1 ZINC000635001421 430191129 /nfs/dbraw/zinc/19/11/29/430191129.db2.gz RVFAQYBAYYRSEG-LZXBYKIDSA-N 2 0 321.262 2.675 20 0 DFADRP C[N@H+](CCCC[NH+]1CCCCC1)CCC(=O)N1CCCCC1 ZINC000640531927 430191208 /nfs/dbraw/zinc/19/12/08/430191208.db2.gz STYNMHHEWSUYRY-UHFFFAOYSA-N 2 0 309.498 2.587 20 0 DFADRP C[C@]1(C[NH2+][C@@H]2[C@H]3Cc4cc(Br)ccc4[C@@H]23)CC[NH2+]C1 ZINC000635001160 430191573 /nfs/dbraw/zinc/19/15/73/430191573.db2.gz IOPCTTAGHVKGBP-JJXSEGSLSA-N 2 0 321.262 2.676 20 0 DFADRP C[C@@H](CCc1n[nH]c2ccccc21)[NH2+][C@H]1CC[C@H](C[NH3+])CC1 ZINC000635003948 430192272 /nfs/dbraw/zinc/19/22/72/430192272.db2.gz GBASOWLWLAKTIV-KKUMJFAQSA-N 2 0 300.450 2.991 20 0 DFADRP C[C@@H](CCCC[NH3+])[NH2+][C@H](CO)c1cccc(C(F)(F)F)c1 ZINC000635004471 430193553 /nfs/dbraw/zinc/19/35/53/430193553.db2.gz OYDHMYMULNDQPO-SMDDNHRTSA-N 2 0 304.356 2.846 20 0 DFADRP C[C@H](CCCC[NH3+])[NH2+][C@H](CO)c1cccc(C(F)(F)F)c1 ZINC000635004468 430193805 /nfs/dbraw/zinc/19/38/05/430193805.db2.gz OYDHMYMULNDQPO-BXUZGUMPSA-N 2 0 304.356 2.846 20 0 DFADRP C[C@H](CCCC[NH3+])[NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000635004612 430193947 /nfs/dbraw/zinc/19/39/47/430193947.db2.gz PVSBKVMHAZPYTN-YQVWRLOYSA-N 3 0 303.494 2.862 20 0 DFADRP C[C@@H](Nc1cc(N2CC[NH2+]CC2)cc[nH+]1)c1ccc(F)cc1 ZINC000635007643 430194051 /nfs/dbraw/zinc/19/40/51/430194051.db2.gz FTLQIKZONVFMQP-CYBMUJFWSA-N 2 0 300.381 2.803 20 0 DFADRP COc1ccccc1NC(=O)C[C@H](C)[NH2+][C@H]1CC[C@H](C[NH3+])CC1 ZINC000635004801 430194120 /nfs/dbraw/zinc/19/41/20/430194120.db2.gz FZWIELPLXGCNPP-KKUMJFAQSA-N 2 0 319.449 2.519 20 0 DFADRP Cc1ccccc1NC(=O)C[C@H](C)[NH2+][C@H]1CC[C@H](C[NH3+])CC1 ZINC000635006899 430194239 /nfs/dbraw/zinc/19/42/39/430194239.db2.gz OJUAXFBHADDVFW-JYJNAYRXSA-N 2 0 303.450 2.819 20 0 DFADRP C[C@H](CCc1n[nH]c2ccccc21)[NH2+][C@H](C)[C@H]1CCC[NH2+]C1 ZINC000581357461 430200699 /nfs/dbraw/zinc/20/06/99/430200699.db2.gz VAEAIIMTKKPBBJ-KFWWJZLASA-N 2 0 300.450 2.862 20 0 DFADRP COc1cccc2c1CC[C@@H]([NH2+]Cc1cccc3c1CC[NH2+]C3)C2 ZINC000635009577 430195720 /nfs/dbraw/zinc/19/57/20/430195720.db2.gz HUHHJBFSCUJWIS-GOSISDBHSA-N 2 0 322.452 2.988 20 0 DFADRP C[C@H](c1ccccc1)N1CC[C@H]([NH2+][C@H]2CC[C@H](C[NH3+])CC2)C1 ZINC000635008853 430196379 /nfs/dbraw/zinc/19/63/79/430196379.db2.gz VVDSZFWQLPCIQK-RWQQGDIJSA-N 2 0 301.478 2.929 20 0 DFADRP c1ccc2c(c1)OCCC[C@H]2Nc1cc(N2CC[NH2+]CC2)cc[nH+]1 ZINC000635010549 430196443 /nfs/dbraw/zinc/19/64/43/430196443.db2.gz SXZWABAWBJHWRX-QGZVFWFLSA-N 2 0 324.428 2.817 20 0 DFADRP C[C@@H](Nc1cc(N2CC[NH2+]CC2)cc[nH+]1)c1cccc(F)c1F ZINC000635008451 430196582 /nfs/dbraw/zinc/19/65/82/430196582.db2.gz JXIFMIKAFUCDAV-GFCCVEGCSA-N 2 0 318.371 2.943 20 0 DFADRP C[C@@H]([NH2+][C@@H]1CC[NH2+]CC(C)(C)C1)c1ccc(C(=O)N(C)C)cc1 ZINC000635013613 430197430 /nfs/dbraw/zinc/19/74/30/430197430.db2.gz ZUFHFEDKTCGJDY-RHSMWYFYSA-N 2 0 317.477 2.817 20 0 DFADRP C[C@H]([NH2+]Cc1cccc2c1CC[NH2+]C2)c1ccc2c(c1)OCO2 ZINC000635019554 430198050 /nfs/dbraw/zinc/19/80/50/430198050.db2.gz HWEQEYGJINKQQM-ZDUSSCGKSA-N 2 0 310.397 2.912 20 0 DFADRP C[NH+](C)Cc1cccc(C(=O)N2CC[N@H+](C)[C@@H](C(C)(C)C)C2)c1 ZINC000640626682 430219201 /nfs/dbraw/zinc/21/92/01/430219201.db2.gz KQOHHCCVQYYTSV-QGZVFWFLSA-N 2 0 317.477 2.551 20 0 DFADRP COc1cc(C)c(C[N@@H+]2CCC[C@H]3C[NH+](C)CC[C@H]32)cc1OC ZINC000581575141 430222054 /nfs/dbraw/zinc/22/20/54/430222054.db2.gz DFAFNMGMKLNLBC-DOTOQJQBSA-N 2 0 318.461 2.928 20 0 DFADRP C[C@H]1CCC[N@H+](Cc2ccc(NC(=O)C3=CC[C@H]([NH3+])C3)cc2)C1 ZINC000638063612 430224155 /nfs/dbraw/zinc/22/41/55/430224155.db2.gz NMSFKYWVWHSENP-YOEHRIQHSA-N 2 0 313.445 2.905 20 0 DFADRP CC(C)C[N@@H+]1CCC[C@H](CN[C@@H]2CC[NH+](C)[C@@H]3CCC[C@H]32)C1 ZINC000353617565 277397121 /nfs/dbraw/zinc/39/71/21/277397121.db2.gz DJQLTAUHOVRZMF-FCGDIQPGSA-N 2 0 307.526 2.817 20 0 DFADRP COc1cncc(/C=C/CC[N@@H+]2CC[C@@]3(C2)CCC[NH+](C)C3)c1 ZINC000581486160 430213315 /nfs/dbraw/zinc/21/33/15/430213315.db2.gz YLERDUHIVVWRNX-NAASZUNDSA-N 2 0 315.461 2.911 20 0 DFADRP c1cc(N2CCCC2)ncc1CN1CCCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000566225660 430249250 /nfs/dbraw/zinc/24/92/50/430249250.db2.gz BYDHNTYVJANCEK-MSOLQXFVSA-N 2 0 314.477 2.788 20 0 DFADRP c1cc(N2CCCC2)ncc1CN1CCCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000566225661 430250610 /nfs/dbraw/zinc/25/06/10/430250610.db2.gz BYDHNTYVJANCEK-QZTJIDSGSA-N 2 0 314.477 2.788 20 0 DFADRP C[C@H](C(=O)NCc1ccccc1C[N@@H+]1CCCC[C@H]1C)[NH+](C)C ZINC000635324765 430254791 /nfs/dbraw/zinc/25/47/91/430254791.db2.gz JQAMLDNEZBQDHF-HZPDHXFCSA-N 2 0 317.477 2.627 20 0 DFADRP C[C@H]1CCCC[N@@H+]1CCCCNC(=O)C[NH+](C)CC(C)(C)C ZINC000635323838 430256022 /nfs/dbraw/zinc/25/60/22/430256022.db2.gz DMZHTMMGHMIRKF-INIZCTEOSA-N 2 0 311.514 2.735 20 0 DFADRP C[C@H](C(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1)[NH+](C)C ZINC000635403749 430269199 /nfs/dbraw/zinc/26/91/99/430269199.db2.gz ZCZQQMHBALEMTM-OAHLLOKOSA-N 2 0 303.450 2.604 20 0 DFADRP CC(C)[N@H+](C)CC1CCN(C(=O)[C@@H]2CC[NH+]2C2CCCC2)CC1 ZINC000635425758 430276709 /nfs/dbraw/zinc/27/67/09/430276709.db2.gz OHGWVJXTVFOWAE-SFHVURJKSA-N 2 0 321.509 2.582 20 0 DFADRP CC[NH+](CC)CC1CCN(C(=O)[C@H]2CC[N@@H+]2C2CCCC2)CC1 ZINC000635448641 430281698 /nfs/dbraw/zinc/28/16/98/430281698.db2.gz WYRKHPJWZXNAEG-GOSISDBHSA-N 2 0 321.509 2.584 20 0 DFADRP C[C@H](C(=O)NCc1cccc(C[NH+]2CCCCCC2)c1)[NH+](C)C ZINC000635452500 430282636 /nfs/dbraw/zinc/28/26/36/430282636.db2.gz GAYYVLPLOUXUOJ-MRXNPFEDSA-N 2 0 317.477 2.629 20 0 DFADRP CC(C)CC[C@H]([NH3+])C(=O)NCCCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000638068692 430225748 /nfs/dbraw/zinc/22/57/48/430225748.db2.gz WTXDLLKQQVDAHA-ZACQAIPSSA-N 2 0 311.514 2.624 20 0 DFADRP CC[NH2+][C@H](C)C(=O)NCc1cccc(C[NH+]2CCC(C)CC2)c1 ZINC000638086179 430231430 /nfs/dbraw/zinc/23/14/30/430231430.db2.gz PQBIGSVMDFHGBF-MRXNPFEDSA-N 2 0 317.477 2.533 20 0 DFADRP CC(C)[NH+]1CCN([C@H]2CC[N@H+](CCC3=CCCCC3)C2)CC1 ZINC000581707562 430234540 /nfs/dbraw/zinc/23/45/40/430234540.db2.gz YQQZRSCKKXZXFZ-IBGZPJMESA-N 2 0 305.510 2.977 20 0 DFADRP CC[N@@H+]1CC[C@H](N(C)Cc2c3c(nn2C)CCCC3)C[C@H]1C ZINC000638109771 430236679 /nfs/dbraw/zinc/23/66/79/430236679.db2.gz GRCYYOWTQVPMBZ-CABCVRRESA-N 2 0 304.482 2.604 20 0 DFADRP CC[NH+]1CCN(c2ccccc2N[C@H](C)[C@H]2CCC[NH2+]C2)CC1 ZINC000582295400 430287824 /nfs/dbraw/zinc/28/78/24/430287824.db2.gz HBXUDVRCLQLLJC-SJORKVTESA-N 2 0 316.493 2.629 20 0 DFADRP C[C@@H]([NH2+]C(C)(C)CNC(=O)C[C@@H]1CC[N@H+](C)C1)c1ccccc1 ZINC000635493974 430291466 /nfs/dbraw/zinc/29/14/66/430291466.db2.gz GAAFZKDAEOQPIM-CVEARBPZSA-N 2 0 317.477 2.574 20 0 DFADRP CCO[C@@H]1C[C@H]([NH2+]CCC[N@@H+]2CCCC[C@@H]2C)[C@]12CCCO2 ZINC000638302680 430299767 /nfs/dbraw/zinc/29/97/67/430299767.db2.gz KWOYSOWWCRLULH-WNRNVDISSA-N 2 0 310.482 2.567 20 0 DFADRP CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)[C@H]2CCCCC[NH2+]2)C1 ZINC000567985721 430302304 /nfs/dbraw/zinc/30/23/04/430302304.db2.gz NZAGQLHWUKOTGC-JKSUJKDBSA-N 2 0 309.498 2.535 20 0 DFADRP CC(C)(O)C[NH+]1CCC([NH2+]C[C@@H]2CCCc3ccccc32)CC1 ZINC000638326677 430305971 /nfs/dbraw/zinc/30/59/71/430305971.db2.gz OLCPJAYIPPUHGJ-KRWDZBQOSA-N 2 0 316.489 2.931 20 0 DFADRP COc1cc(C[C@H](C)[NH2+]C2CC[NH+](CC(C)C)CC2)ccn1 ZINC000638348547 430311161 /nfs/dbraw/zinc/31/11/61/430311161.db2.gz OFGSYPRAGLLASC-HNNXBMFYSA-N 2 0 305.466 2.731 20 0 DFADRP [NH3+][C@@H](CCC(=O)Nc1ccc2c(c1)C[NH2+]CC2)c1ccccc1 ZINC000568058727 430311269 /nfs/dbraw/zinc/31/12/69/430311269.db2.gz ZUARWLGYAFSGSS-SFHVURJKSA-N 2 0 309.413 2.751 20 0 DFADRP CC(C)Oc1ccc(C[NH2+]C2CC[NH+](CC(C)(C)O)CC2)cc1 ZINC000638353784 430313947 /nfs/dbraw/zinc/31/39/47/430313947.db2.gz ZKUHXSCIOIHHCS-UHFFFAOYSA-N 2 0 320.477 2.799 20 0 DFADRP CC[NH+](CC)Cc1ccccc1C[NH2+]C[C@@H](O)CC(F)(F)F ZINC000568077367 430314629 /nfs/dbraw/zinc/31/46/29/430314629.db2.gz ORFDLRYLGWYIOP-HNNXBMFYSA-N 2 0 318.383 2.931 20 0 DFADRP CCO[C@@H]1C[C@@H]([NH2+]CCCC[N@@H+]2CCCC[C@H]2C)[C@]12CCCO2 ZINC000638365458 430319075 /nfs/dbraw/zinc/31/90/75/430319075.db2.gz DGBPGHOIYXVYJH-NCXUSEDFSA-N 2 0 324.509 2.957 20 0 DFADRP C[C@@H](C[C@@H]1CCCC(=O)N1)[NH2+]CCCC[NH+]1CCC(C)CC1 ZINC000638372521 430320229 /nfs/dbraw/zinc/32/02/29/430320229.db2.gz XFDBGQHTSNLOIO-IRXDYDNUSA-N 2 0 309.498 2.535 20 0 DFADRP CCO[C@@H]1C[C@H]([NH2+]CCCC[NH+]2CCC(C)CC2)[C@]12CCCO2 ZINC000638370373 430320765 /nfs/dbraw/zinc/32/07/65/430320765.db2.gz LNIMWUIQDFHSEV-IPMKNSEASA-N 2 0 324.509 2.815 20 0 DFADRP CCc1ccc([C@@H]2C[C@H](C)CCN2C[C@H](O)C[N@@H+](C)CC)o1 ZINC000568164075 430322423 /nfs/dbraw/zinc/32/24/23/430322423.db2.gz IMQYYUAJBUCKFR-INMHGKMJSA-N 2 0 308.466 2.928 20 0 DFADRP C[C@@H]([NH2+][C@H]1CCC[C@H]([NH3+])C1)c1ccc(-n2cccn2)c(F)c1 ZINC000568248106 430338326 /nfs/dbraw/zinc/33/83/26/430338326.db2.gz HQYTTWMWEUWPNH-SNPRPXQTSA-N 2 0 302.397 2.932 20 0 DFADRP Cc1ccc2c(c1)CC[C@H]2[NH2+]C1CC[NH+](CC(C)(C)O)CC1 ZINC000638426067 430338766 /nfs/dbraw/zinc/33/87/66/430338766.db2.gz SFWPUVBJVNSYCS-GOSISDBHSA-N 2 0 302.462 2.807 20 0 DFADRP Cc1ncc(C[NH2+]Cc2cccc(C[N@@H+](C)C(C)C)c2)n1C ZINC000568269285 430342900 /nfs/dbraw/zinc/34/29/00/430342900.db2.gz GLPZHPYXTARBEO-UHFFFAOYSA-N 2 0 300.450 2.859 20 0 DFADRP C[NH+](C)CCOc1ccccc1C[NH2+]CCC1CCOCC1 ZINC000638444854 430344381 /nfs/dbraw/zinc/34/43/81/430344381.db2.gz JYQFZUORQZBHJE-UHFFFAOYSA-N 2 0 306.450 2.533 20 0 DFADRP CO[C@H](C[NH2+]C[C@@H]1CCCN(Cc2cccs2)C1)C1CC1 ZINC000638447232 430344819 /nfs/dbraw/zinc/34/48/19/430344819.db2.gz HXWRDRVCDQQWHM-WMLDXEAASA-N 2 0 308.491 2.975 20 0 DFADRP C[C@H](CC[NH2+]Cc1c[nH]c2ncncc12)[N@H+](C)Cc1ccccc1 ZINC000638726913 430418624 /nfs/dbraw/zinc/41/86/24/430418624.db2.gz WYYZULJLKJCXGT-OAHLLOKOSA-N 2 0 323.444 2.910 20 0 DFADRP C[C@@H](C[C@H]1CCCC(=O)N1)[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000638722468 430416498 /nfs/dbraw/zinc/41/64/98/430416498.db2.gz YEQRHYPKHWTCHS-DOTOQJQBSA-N 2 0 321.509 2.820 20 0 DFADRP C[NH2+][C@H](C)c1cn(Cc2ccc(C[NH+]3CCCCC3)cc2)nn1 ZINC000641179422 430355065 /nfs/dbraw/zinc/35/50/65/430355065.db2.gz KWQOITOHYNTHCV-OAHLLOKOSA-N 2 0 313.449 2.593 20 0 DFADRP CC(C)C[N@@H+]1Cc2cccc(NC(=O)C[C@H]3CC[NH+](C)C3)c2C1 ZINC000635717302 430358602 /nfs/dbraw/zinc/35/86/02/430358602.db2.gz NCRFEPITBVFETD-OAHLLOKOSA-N 2 0 315.461 2.939 20 0 DFADRP OCc1ccc(C[NH2+]C[C@@H]2CC[N@H+](CCc3ccccc3)C2)cc1 ZINC000638521830 430366932 /nfs/dbraw/zinc/36/69/32/430366932.db2.gz QEZXNPXHTSLRCA-NRFANRHFSA-N 2 0 324.468 2.833 20 0 DFADRP Cc1cccc2c1CC[C@H]2[NH2+]C1CC[NH+](CC(C)(C)O)CC1 ZINC000638545853 430373607 /nfs/dbraw/zinc/37/36/07/430373607.db2.gz VYUAYGUDXYFXIH-GOSISDBHSA-N 2 0 302.462 2.807 20 0 DFADRP CC(C)CC[NH+]1CCC(C[NH2+]CCCc2cnn(C)c2)CC1 ZINC000638723034 430417431 /nfs/dbraw/zinc/41/74/31/430417431.db2.gz WYVCYIZOXWHEOT-UHFFFAOYSA-N 2 0 306.498 2.700 20 0 DFADRP Cc1cccc2c1CC[C@@H]2[NH2+]C1CC[NH+](CC(C)(C)O)CC1 ZINC000638545857 430373806 /nfs/dbraw/zinc/37/38/06/430373806.db2.gz VYUAYGUDXYFXIH-SFHVURJKSA-N 2 0 302.462 2.807 20 0 DFADRP C[C@H](NC[C@@H](c1cccs1)[NH+]1CCCC1)[C@H]1CCC[NH2+]C1 ZINC000568618665 430375471 /nfs/dbraw/zinc/37/54/71/430375471.db2.gz OKXBVZGTCJJOBA-JYJNAYRXSA-N 2 0 307.507 2.863 20 0 DFADRP CCC[NH+]1CCC(C[NH2+][C@@H](C)Cc2ccnc(OC)c2)CC1 ZINC000638564892 430376394 /nfs/dbraw/zinc/37/63/94/430376394.db2.gz KLDXZJIXKFQWBV-HNNXBMFYSA-N 2 0 305.466 2.733 20 0 DFADRP CSc1ccc([C@H](C[NH2+][C@H](C)[C@H]2CCC[NH2+]C2)N(C)C)cc1 ZINC000583257277 430377865 /nfs/dbraw/zinc/37/78/65/430377865.db2.gz XBOCADYFXPHYIV-HFTRVMKXSA-N 2 0 321.534 2.989 20 0 DFADRP CCC[NH+]1CCC(C[NH2+]C[C@@H](Cc2ccccc2)OC)CC1 ZINC000638566090 430378352 /nfs/dbraw/zinc/37/83/52/430378352.db2.gz ZZJLGRQMKRCMBQ-LJQANCHMSA-N 2 0 304.478 2.956 20 0 DFADRP C[C@H]([NH2+][C@H]1CCN(C2CC[NH+](C)CC2)C1)[C@@H]1CC2CCC1CC2 ZINC000638587431 430381248 /nfs/dbraw/zinc/38/12/48/430381248.db2.gz CMIUJHUIXROJNK-WIQMORTESA-N 2 0 319.537 2.959 20 0 DFADRP CC[NH+]1CCC([NH2+]CCC(=O)Nc2ccc(Cl)cc2)CC1 ZINC000568750700 430388248 /nfs/dbraw/zinc/38/82/48/430388248.db2.gz FMRMPUZXWDCWMI-UHFFFAOYSA-N 2 0 309.841 2.743 20 0 DFADRP CCn1c2ccccc2nc1C[N@@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000568761790 430389380 /nfs/dbraw/zinc/38/93/80/430389380.db2.gz IMKWWMXXXJGOBR-HOTGVXAUSA-N 2 0 312.461 2.878 20 0 DFADRP C[NH+](C)CCc1ccccc1NC(=O)C12CCC[NH+](CCC1)C2 ZINC000635834212 430390227 /nfs/dbraw/zinc/39/02/27/430390227.db2.gz DDBFYSHMLKNGOP-UHFFFAOYSA-N 2 0 315.461 2.605 20 0 DFADRP C[N@@H+]1CCC[C@@H](N2CCN(c3cc(C(C)(C)C)ccn3)CC2)C1 ZINC000641380072 430392413 /nfs/dbraw/zinc/39/24/13/430392413.db2.gz JUZWNIVEDJGQKW-QGZVFWFLSA-N 2 0 316.493 2.595 20 0 DFADRP Cn1cc(-c2ccc(C[NH2+]C[C@H]3CCC[C@@H]([NH3+])C3)s2)cn1 ZINC000568853363 430399581 /nfs/dbraw/zinc/39/95/81/430399581.db2.gz JVRDEUDVGDMJKN-GXTWGEPZSA-N 2 0 304.463 2.756 20 0 DFADRP COCCN(C)CC[C@H]([NH2+]CC1(O)CCCC1)c1ccccc1 ZINC000583495347 430401619 /nfs/dbraw/zinc/40/16/19/430401619.db2.gz ZXLZBWUWZXKSNQ-SFHVURJKSA-N 2 0 320.477 2.591 20 0 DFADRP C[C@@H]1C[C@@H]1c1ccc(C[N@H+](C)CCCN(C)CC[NH+](C)C)o1 ZINC000583532757 430402999 /nfs/dbraw/zinc/40/29/99/430402999.db2.gz QJORPKWGNJWRLH-WBVHZDCISA-N 2 0 307.482 2.718 20 0 DFADRP C[NH+]1CCC(C)(C[NH2+]Cc2ccccc2OCCCCO)CC1 ZINC000585118391 430480748 /nfs/dbraw/zinc/48/07/48/430480748.db2.gz MQXOVSLJUCXXIV-UHFFFAOYSA-N 2 0 320.477 2.659 20 0 DFADRP C[C@H](C(=O)N(C)CCCC[NH+]1CCCCC1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000641662234 430437135 /nfs/dbraw/zinc/43/71/35/430437135.db2.gz ZVJIKIRUWDTENJ-FGTMMUONSA-N 2 0 323.525 2.972 20 0 DFADRP Cc1cc(NC(=O)C[N@H+](C)CC(C)(C)C)ccc1C[NH+](C)C ZINC000636021972 430440442 /nfs/dbraw/zinc/44/04/42/430440442.db2.gz UYPVCLFUOSVVBI-UHFFFAOYSA-N 2 0 305.466 2.973 20 0 DFADRP C[C@H](O)[C@](C)(C[NH2+][C@@H](C)[C@H]1CCC[NH2+]C1)Cc1ccccc1 ZINC000583928628 430442771 /nfs/dbraw/zinc/44/27/71/430442771.db2.gz MEMMXIPVBVZEHC-CAMMJAKZSA-N 2 0 304.478 2.594 20 0 DFADRP C[C@@H]([N@H+](C)CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C)C(C)(C)C ZINC000548113910 430447740 /nfs/dbraw/zinc/44/77/40/430447740.db2.gz OJPJQCYENZDPIN-WBVHZDCISA-N 2 0 319.493 2.772 20 0 DFADRP Cc1cc(N[C@@H](C)[C@H]2CN(Cc3ccccc3)CCO2)cc[nH+]1 ZINC000548153561 430450804 /nfs/dbraw/zinc/45/08/04/430450804.db2.gz AGYBOMPLEZKKKQ-QFBILLFUSA-N 2 0 311.429 2.513 20 0 DFADRP C[N@@H+]1CCC[C@@H](CNCc2ccncc2N)[C@@H]1c1cccs1 ZINC000641728840 430453799 /nfs/dbraw/zinc/45/37/99/430453799.db2.gz ILARLURPKHGJGL-WMLDXEAASA-N 2 0 316.474 2.898 20 0 DFADRP Cc1cccc(NC(=O)C[C@H](C)[NH2+][C@@H]2C[C@H]2C2CC[NH2+]CC2)c1 ZINC000569474095 430457439 /nfs/dbraw/zinc/45/74/39/430457439.db2.gz SYUKSEPQTJHHRE-JCGIZDLHSA-N 2 0 315.461 2.690 20 0 DFADRP Cc1nnsc1CN(C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000569488468 430458690 /nfs/dbraw/zinc/45/86/90/430458690.db2.gz AIMWSAQDYGMDPL-INIZCTEOSA-N 2 0 316.474 2.800 20 0 DFADRP CCC1([NH+]2CCCC2)CCN(C(=O)[C@@H]([NH3+])CCC(C)C)CC1 ZINC000638862285 430458988 /nfs/dbraw/zinc/45/89/88/430458988.db2.gz QWMLYOXQNHGNKV-INIZCTEOSA-N 2 0 309.498 2.617 20 0 DFADRP OC[C@H]1C=C[C@@H]([NH2+][C@@H]2CCN(C3CC3)[C@H](c3ccccc3)C2)C1 ZINC000638880501 430464758 /nfs/dbraw/zinc/46/47/58/430464758.db2.gz MFWYCWYQLRIYJV-MMTROXRISA-N 2 0 312.457 2.881 20 0 DFADRP C[NH+](C)C1(CNC(=O)CC[N@@H+](C)C2CCCCC2)CCCC1 ZINC000548388726 430469272 /nfs/dbraw/zinc/46/92/72/430469272.db2.gz JPZFMTLBAYBFEJ-UHFFFAOYSA-N 2 0 309.498 2.632 20 0 DFADRP CCC[N@H+](CC)Cc1ccc(C(=O)N2C[C@@H](C)[C@@H](C[NH3+])C2)cc1 ZINC000638895206 430470172 /nfs/dbraw/zinc/47/01/72/430470172.db2.gz SQRNPBHEDIAZSU-QAPCUYQASA-N 2 0 317.477 2.585 20 0 DFADRP CC1(C)[C@H]([NH2+]Cc2ccc(OCc3ccccn3)cc2)C[C@@H]1[NH3+] ZINC000641802747 430475524 /nfs/dbraw/zinc/47/55/24/430475524.db2.gz OJCNNQSUZUSSJA-ZWKOTPCHSA-N 2 0 311.429 2.876 20 0 DFADRP Cc1ccc2ccnc(N3CCC([N@H+](C)CCCO)CC3)c2c1 ZINC000584347903 430476300 /nfs/dbraw/zinc/47/63/00/430476300.db2.gz NLRDHXRXMKODOV-UHFFFAOYSA-N 2 0 313.445 2.826 20 0 DFADRP CC1(C)[C@@H]([NH3+])C[C@@H]1[NH2+]Cc1cccc(OCc2ccccn2)c1 ZINC000641801254 430476815 /nfs/dbraw/zinc/47/68/15/430476815.db2.gz OOTIXOMFUCOFBH-ROUUACIJSA-N 2 0 311.429 2.876 20 0 DFADRP CC1(C)[C@H]([NH2+]CCOc2ccccc2C(F)(F)F)C[C@@H]1[NH3+] ZINC000641802810 430476926 /nfs/dbraw/zinc/47/69/26/430476926.db2.gz PHAXOYOGFYKWHE-QWHCGFSZSA-N 2 0 302.340 2.800 20 0 DFADRP [NH3+]CCCOC1CC[NH+](Cc2nsc3ccccc32)CC1 ZINC000641796674 430476995 /nfs/dbraw/zinc/47/69/95/430476995.db2.gz GXUUGWVYAYVVAD-UHFFFAOYSA-N 2 0 305.447 2.626 20 0 DFADRP CC(C)(C)NC(=O)C[NH+]1CCC(C[NH2+][C@H]2CCCC23CC3)CC1 ZINC000583704907 430422507 /nfs/dbraw/zinc/42/25/07/430422507.db2.gz VTJDZHCFQJDXGN-INIZCTEOSA-N 2 0 321.509 2.535 20 0 DFADRP C[NH+]1CCC(C)(C[NH2+]C[C@H]2CCN(c3ccccc3)C2)CC1 ZINC000638958369 430482473 /nfs/dbraw/zinc/48/24/73/430482473.db2.gz MKVKJFJJDBFXKW-QGZVFWFLSA-N 2 0 301.478 2.834 20 0 DFADRP CC[NH+](CC)[C@H](C(=O)N[C@H]1CC[C@H](C[NH3+])CC1)c1ccccc1 ZINC000638969210 430484117 /nfs/dbraw/zinc/48/41/17/430484117.db2.gz RZQMZAVVKYRKFT-SZMVWBNQSA-N 2 0 317.477 2.703 20 0 DFADRP C[C@@H]([NH2+]C1CC(n2cccn2)C1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000638973182 430484491 /nfs/dbraw/zinc/48/44/91/430484491.db2.gz YFIDRLXOTSZYTK-RSIVFMTNSA-N 2 0 302.466 2.829 20 0 DFADRP C[C@@H]1C[C@@H]([NH2+]Cc2ccccc2C[N@@H+]2CCC[C@@H]2CO)CS1 ZINC000638971290 430485090 /nfs/dbraw/zinc/48/50/90/430485090.db2.gz QWDWLTQQVNRVFS-ZTFGCOKTSA-N 2 0 320.502 2.627 20 0 DFADRP O=C(N[C@H]1CC[N@@H+](C2CCCCC2)C1)[C@H]1CC[NH+]1C1CCCC1 ZINC000636203750 430485801 /nfs/dbraw/zinc/48/58/01/430485801.db2.gz YOVUEHAGFMKJQL-MAUKXSAKSA-N 2 0 319.493 2.527 20 0 DFADRP O[C@@H]1CC[N@H+](Cc2ccccc2C[NH2+]C[C@@H]2CC[C@@H]3C[C@@H]3C2)C1 ZINC000638976491 430486025 /nfs/dbraw/zinc/48/60/25/430486025.db2.gz ISTPWMZDCHEGQE-YAJHFMINSA-N 2 0 314.473 2.779 20 0 DFADRP CCC1([NH+](C)C)CCN(C(=O)[C@H]2CCCCCC[C@@H]2[NH3+])CC1 ZINC000638976046 430486442 /nfs/dbraw/zinc/48/64/42/430486442.db2.gz TWMHUDBDNDGINL-HOTGVXAUSA-N 2 0 309.498 2.617 20 0 DFADRP CCC1([NH+](C)C)CCN(C(=O)c2ccc([C@@H](C)[NH3+])cc2)CC1 ZINC000638980940 430487190 /nfs/dbraw/zinc/48/71/90/430487190.db2.gz PHJGTCXDHCEWKC-CQSZACIVSA-N 2 0 303.450 2.653 20 0 DFADRP C[C@H](CC1CCCC1)C(=O)Nc1cc(N2CC[NH2+]CC2)cc[nH+]1 ZINC000638986373 430488817 /nfs/dbraw/zinc/48/88/17/430488817.db2.gz LZBVCYMRJBXOQC-CQSZACIVSA-N 2 0 316.449 2.646 20 0 DFADRP C[C@@H]1CC[N@H+](CCN[C@H]2CC[NH+](C)[C@H](c3ccccc3)C2)C1 ZINC000569832403 430490064 /nfs/dbraw/zinc/49/00/64/430490064.db2.gz YAGKELRFMASNDV-NEWSRXKRSA-N 2 0 301.478 2.753 20 0 DFADRP CC1(C)CCC[C@H](C[N@@H+]2CCC[C@@H](n3cc(C[NH3+])nn3)C2)C1 ZINC000569909083 430497000 /nfs/dbraw/zinc/49/70/00/430497000.db2.gz LBBXNURFDIONOW-GOEBONIOSA-N 2 0 305.470 2.590 20 0 DFADRP C[NH+](C)[C@H]1CCC[C@H]([NH2+]CCC(=O)Nc2cccc(F)c2)C1 ZINC000569921087 430498715 /nfs/dbraw/zinc/49/87/15/430498715.db2.gz OEPLZPZWEVNIAM-HOCLYGCPSA-N 2 0 307.413 2.617 20 0 DFADRP C[C@H](C(=O)N1CC[C@H](C[NH3+])c2ccccc21)[C@H]([NH3+])c1ccccc1 ZINC000639069614 430510671 /nfs/dbraw/zinc/51/06/71/430510671.db2.gz YUCLZCSIYGSGGZ-GMBSWORKSA-N 2 0 323.440 2.802 20 0 DFADRP [NH3+]C[C@H]1CCN(C(=O)C[C@@H]([NH3+])c2ccccc2)c2ccccc21 ZINC000639067651 430511297 /nfs/dbraw/zinc/51/12/97/430511297.db2.gz KFUYZQFCAHSULZ-NVXWUHKLSA-N 2 0 309.413 2.556 20 0 DFADRP C[C@H](C(=O)N1CC[C@@H](C[NH3+])c2ccccc21)[NH+]1CCCCCC1 ZINC000639067674 430511382 /nfs/dbraw/zinc/51/13/82/430511382.db2.gz KTWBXLGTFBLFKO-CVEARBPZSA-N 2 0 315.461 2.730 20 0 DFADRP C[C@@H]1CC[C@@H](C[NH+]2CCC(CC[NH+]3C[C@@H](C)O[C@H](C)C3)CC2)O1 ZINC000249121635 277775936 /nfs/dbraw/zinc/77/59/36/277775936.db2.gz SVBZBWDTWFYUHY-MTNOOBJLSA-N 2 0 324.509 2.765 20 0 DFADRP COc1cc2c(cc1OC)[C@@H]([N@H+](C)C[C@@H]1CC[NH+](C)C1)CC2 ZINC000639082384 430517542 /nfs/dbraw/zinc/51/75/42/430517542.db2.gz ZMTLFODOOWULBK-CJNGLKHVSA-N 2 0 304.434 2.575 20 0 DFADRP CC(C)C[C@H](CNC(=O)[C@@H]([NH3+])C(C)C)[NH2+][C@H](C)c1ccccc1 ZINC000570160028 430518533 /nfs/dbraw/zinc/51/85/33/430518533.db2.gz UOEPXNHVGOJHRU-NXHRZFHOSA-N 2 0 319.493 2.851 20 0 DFADRP C[C@@H]1C[C@H]([NH3+])CC[N@@H+]1CCc1nc(-c2ccc(Cl)cc2)no1 ZINC000570174115 430520721 /nfs/dbraw/zinc/52/07/21/430520721.db2.gz YGGFYYWEXQFSAS-BXUZGUMPSA-N 2 0 320.824 2.744 20 0 DFADRP C[N@@H+]1CCC[C@@H](CC[NH2+]Cc2cnc(-c3ccccc3)nc2)C1 ZINC000570174922 430521004 /nfs/dbraw/zinc/52/10/04/430521004.db2.gz LHARHTMEHNCAQC-INIZCTEOSA-N 2 0 310.445 2.965 20 0 DFADRP CCCOc1ccc(C[NH2+]CC2(COC)CC[NH2+]CC2)cc1 ZINC000570183384 430521644 /nfs/dbraw/zinc/52/16/44/430521644.db2.gz XCMNDJXXAMOUEG-UHFFFAOYSA-N 2 0 306.450 2.581 20 0 DFADRP C[C@H]1C[C@@H](CC[NH2+]Cc2cnccn2)C[N@@H+]1Cc1ccccc1 ZINC000570176980 430522008 /nfs/dbraw/zinc/52/20/08/430522008.db2.gz KHAICYOELRTPLM-FUHWJXTLSA-N 2 0 310.445 2.867 20 0 DFADRP Cc1cccc(NC(=O)C[C@H](C)[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000642630958 430522960 /nfs/dbraw/zinc/52/29/60/430522960.db2.gz SHQHVKPJJNYCOC-CGTJXYLNSA-N 2 0 315.461 2.929 20 0 DFADRP C[NH+](C)[C@@H]1CCCN([C@H](c2nc[nH]n2)C2CCCCC2)CC1 ZINC000639103197 430524845 /nfs/dbraw/zinc/52/48/45/430524845.db2.gz HXHNGONJJOMBKE-CVEARBPZSA-N 2 0 305.470 2.842 20 0 DFADRP CC(C)(O)C[NH+]1CCC([NH2+]C[C@H]2CCC3(CCCCC3)O2)CC1 ZINC000639100466 430525069 /nfs/dbraw/zinc/52/50/69/430525069.db2.gz WOWRDJKURGCYIQ-QGZVFWFLSA-N 2 0 324.509 2.693 20 0 DFADRP COc1ccccc1OCCN[C@H](Cc1ccccc1)[C@@H](C)[NH3+] ZINC000570271725 430527886 /nfs/dbraw/zinc/52/78/86/430527886.db2.gz WLSMRJWBXQPIGL-NVXWUHKLSA-N 2 0 314.429 2.622 20 0 DFADRP C[C@@H]1C[C@H](Nc2cccc3c2OCC[C@@H]3[NH+](C)C)CC[N@@H+]1C ZINC000639114626 430530276 /nfs/dbraw/zinc/53/02/76/430530276.db2.gz GMEZFRCLRCFAJY-CPUCHLNUSA-N 2 0 303.450 2.966 20 0 DFADRP CCOC1CC(C[NH2+]C[C@@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000639117508 430531555 /nfs/dbraw/zinc/53/15/55/430531555.db2.gz HDGQLEQXFUUMOH-VIQWUECVSA-N 2 0 302.462 2.913 20 0 DFADRP c1ccc(C[NH+]2C[C@H]3C[N@H+](CCC[C@@H]4CCO4)C[C@H]3C2)cc1 ZINC000639120799 430532129 /nfs/dbraw/zinc/53/21/29/430532129.db2.gz USQGATMPHCEWPC-CEXWTWQISA-N 2 0 300.446 2.619 20 0 DFADRP CN1CC[C@H]([NH2+]Cc2ccc(C(N)=O)cc2)C[C@H]1c1ccccc1 ZINC000550996864 430548065 /nfs/dbraw/zinc/54/80/65/430548065.db2.gz GVHJKGLTNRKCFO-OALUTQOASA-N 2 0 323.440 2.711 20 0 DFADRP Cc1ccc(CC[NH+]2CCC(N3CCOC[C@H]3C)CC2)cc1 ZINC000570507722 430549768 /nfs/dbraw/zinc/54/97/68/430549768.db2.gz QBPJJCXVPLKCSX-QGZVFWFLSA-N 2 0 302.462 2.723 20 0 DFADRP Cc1cc2cc(C[NH2+]C3CC[NH+](CC(C)(C)O)CC3)ccc2[nH]1 ZINC000639166952 430551510 /nfs/dbraw/zinc/55/15/10/430551510.db2.gz XHVPBKAJOVDTQB-UHFFFAOYSA-N 2 0 315.461 2.801 20 0 DFADRP O=C(Nc1cccc(CC[NH+]2CCCC2)c1)[C@H]1CCCCC[NH2+]1 ZINC000570572054 430554558 /nfs/dbraw/zinc/55/45/58/430554558.db2.gz XBLQBLXBAVJHSE-GOSISDBHSA-N 2 0 315.461 2.796 20 0 DFADRP CC(C)C1(C[NH2+]Cc2ccncc2OCCC[NH+](C)C)CC1 ZINC000639185853 430561928 /nfs/dbraw/zinc/56/19/28/430561928.db2.gz VQLAZVDNNXZMGE-UHFFFAOYSA-N 2 0 305.466 2.938 20 0 DFADRP COc1ncc([C@H](C)[NH2+][C@@H]2CCn3ccnc3C2)cc1Cl ZINC000570651577 430563818 /nfs/dbraw/zinc/56/38/18/430563818.db2.gz VHXOKMCUKAUVBA-CMPLNLGQSA-N 2 0 306.797 2.606 20 0 DFADRP C[C@@H]1CC[N@H+](Cc2ccc(CN3CCOCC3)cc2)C[C@@H]1F ZINC000643251816 430567828 /nfs/dbraw/zinc/56/78/28/430567828.db2.gz CGJHVFTWZVZPSZ-QAPCUYQASA-N 2 0 306.425 2.699 20 0 DFADRP C=Cc1ccc(CC[NH2+]C2CC[NH+](CC(C)(C)O)CC2)cc1 ZINC000639197390 430568708 /nfs/dbraw/zinc/56/87/08/430568708.db2.gz IVVCKFHPUAGGBD-UHFFFAOYSA-N 2 0 302.462 2.697 20 0 DFADRP COc1ccc2[nH]cc(CC[NH2+][C@@H](C)[C@H]3CCC[NH2+]C3)c2c1 ZINC000643453868 430602559 /nfs/dbraw/zinc/60/25/59/430602559.db2.gz DQUJNDHBYSFDMU-KBPBESRZSA-N 2 0 301.434 2.697 20 0 DFADRP O=C(C[NH2+]CCC1CCCCC1)NCC[NH+]1CCCCCC1 ZINC000552064656 430582754 /nfs/dbraw/zinc/58/27/54/430582754.db2.gz FWDUVQXKUVTWHH-UHFFFAOYSA-N 2 0 309.498 2.539 20 0 DFADRP C[N@@H+]1CCC[C@@H](CC[NH2+]C[C@H]2CCN(c3ccccc3)C2)C1 ZINC000639257689 430590459 /nfs/dbraw/zinc/59/04/59/430590459.db2.gz QNGNOFGMLCOVOR-ZWKOTPCHSA-N 2 0 301.478 2.834 20 0 DFADRP COC[C@H](C)C[N@H+](Cc1ccsc1)[C@H]1CC12CC[NH2+]CC2 ZINC000570966352 430592139 /nfs/dbraw/zinc/59/21/39/430592139.db2.gz UAEGIPMWHGXHDM-ZBFHGGJFSA-N 2 0 308.491 2.975 20 0 DFADRP CC[C@H]([NH3+])C(=O)NC[C@H](CC(C)C)[NH2+][C@H](C)c1ccccc1 ZINC000571043171 430598837 /nfs/dbraw/zinc/59/88/37/430598837.db2.gz BOGJPXNQIMTYES-PVAVHDDUSA-N 2 0 305.466 2.605 20 0 DFADRP CC(C)CC[C@@H](O)C[NH2+]C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000571040296 430598924 /nfs/dbraw/zinc/59/89/24/430598924.db2.gz AADNJACWYHGNJR-RTBURBONSA-N 2 0 304.478 2.895 20 0 DFADRP CC(C)C[N@@H+]1CCC[C@H](C[NH2+][C@@H]2COc3ccccc3C2)C1 ZINC000550700402 430544493 /nfs/dbraw/zinc/54/44/93/430544493.db2.gz HVOUHJSGSMMBNQ-AEFFLSMTSA-N 2 0 302.462 2.948 20 0 DFADRP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@@H+]2C[C@H]1CCC2(CCCC2)O1 ZINC000554825757 430652305 /nfs/dbraw/zinc/65/23/05/430652305.db2.gz ZLJYGRLVHUVXIK-BRSBDYLESA-N 2 0 322.493 2.662 20 0 DFADRP CCC[N@H+](C)C[C@H]1CC[NH+](Cc2cccc3c2CCOC3)C1 ZINC000639504665 430658195 /nfs/dbraw/zinc/65/81/95/430658195.db2.gz AGUUMRWDWKCUNH-MRXNPFEDSA-N 2 0 302.462 2.923 20 0 DFADRP C[C@H]([NH2+]C[C@H]1CCN(c2ccc(Cl)cc2)C1)[C@H]1CC[NH2+]C1 ZINC000643453200 430602950 /nfs/dbraw/zinc/60/29/50/430602950.db2.gz ONYFTIIQGFRYTN-ZNMIVQPWSA-N 2 0 307.869 2.754 20 0 DFADRP C[C@H]([NH2+]C[C@@H]1CCN(c2ccc(F)c(F)c2)C1)[C@H]1CCC[NH2+]1 ZINC000643453191 430602993 /nfs/dbraw/zinc/60/29/93/430602993.db2.gz MREOKYKEGOUSSR-GDZNZVCISA-N 2 0 309.404 2.521 20 0 DFADRP C[C@@H]([NH2+]C[C@@H]1CCN(c2ccc(Cl)cc2)C1)[C@H]1CCC[NH2+]1 ZINC000643453113 430603087 /nfs/dbraw/zinc/60/30/87/430603087.db2.gz IEXISEQASNGMPT-JKIFEVAISA-N 2 0 307.869 2.896 20 0 DFADRP O=c1ccc2c([nH]1)CCC[C@@H]2[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000552922573 430603170 /nfs/dbraw/zinc/60/31/70/430603170.db2.gz JWODPEFAUQSTHW-INIZCTEOSA-N 2 0 301.434 2.629 20 0 DFADRP C[C@@H]([NH2+]CC1CC[NH+](C2CCOCC2)CC1)[C@@H]1CC1(F)F ZINC000639302284 430603401 /nfs/dbraw/zinc/60/34/01/430603401.db2.gz CYSDWPJOMFKWFT-DOMZBBRYSA-N 2 0 302.409 2.511 20 0 DFADRP c1ccc(C[N@H+]2CCC[C@H](CNC3C[C@H]4CC[C@@H](C3)[NH2+]4)C2)cc1 ZINC000643457600 430603597 /nfs/dbraw/zinc/60/35/97/430603597.db2.gz PNSNJOIUXVYAEU-WRURNZQNSA-N 2 0 313.489 2.771 20 0 DFADRP C[C@@H](NC[C@H]1CCC[N@H+](Cc2ccccc2)C1)[C@@H]1CCC[NH2+]1 ZINC000643457628 430603640 /nfs/dbraw/zinc/60/36/40/430603640.db2.gz RIJBNGPKBJETCR-QRQLOZEOSA-N 2 0 301.478 2.629 20 0 DFADRP CCOCCOCc1cccc(C[NH2+][C@H](C)[C@@H]2CCC[NH2+]C2)c1 ZINC000643461466 430604728 /nfs/dbraw/zinc/60/47/28/430604728.db2.gz BKBOPVVQDIUBOR-VQIMIIECSA-N 2 0 320.477 2.717 20 0 DFADRP C[C@@H](NC[C@H]1CCC[N@H+](Cc2ccccc2)C1)[C@H]1CCC[NH2+]1 ZINC000643457625 430604832 /nfs/dbraw/zinc/60/48/32/430604832.db2.gz RIJBNGPKBJETCR-BHIYHBOVSA-N 2 0 301.478 2.629 20 0 DFADRP CC[C@@](C)(C[NH2+]CC1CC[NH+](Cc2ccncc2)CC1)OC ZINC000639312206 430605480 /nfs/dbraw/zinc/60/54/80/430605480.db2.gz SVUDHCCPJNJNID-SFHVURJKSA-N 2 0 305.466 2.698 20 0 DFADRP c1cc(C[NH2+]CC2CC[NH+](Cc3ccncc3)CC2)sn1 ZINC000639310334 430605678 /nfs/dbraw/zinc/60/56/78/430605678.db2.gz FUQHFVWAXVJVOD-UHFFFAOYSA-N 2 0 302.447 2.540 20 0 DFADRP COc1ccc2c(c1)OC[C@H]([NH2+][C@@H]1C[C@H]([NH3+])c3ccccc31)C2 ZINC000643477731 430607174 /nfs/dbraw/zinc/60/71/74/430607174.db2.gz IAMWLYVXGLXWTD-JEBQAFNWSA-N 2 0 310.397 2.733 20 0 DFADRP CC(C)(O)C[NH+]1CCC([NH2+][C@@H]2CC[C@@H]2c2ccccc2)CC1 ZINC000639320846 430607595 /nfs/dbraw/zinc/60/75/95/430607595.db2.gz OZSWNICVHAGIHS-QZTJIDSGSA-N 2 0 302.462 2.758 20 0 DFADRP C[C@H](N[C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21)[C@@H]1CCC[NH2+]1 ZINC000643480442 430607684 /nfs/dbraw/zinc/60/76/84/430607684.db2.gz TWBWYKUCOLDXRF-MVBLQPKNSA-N 2 0 313.489 2.627 20 0 DFADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+][C@H]1CCO[C@@H](c2nccn2C)C1 ZINC000643493627 430608070 /nfs/dbraw/zinc/60/80/70/430608070.db2.gz ZLBIEZSHJSTURP-LTIDMASMSA-N 2 0 320.481 2.541 20 0 DFADRP C[C@@H]([NH2+]CCc1cc(C(F)(F)F)ccn1)[C@@H]1CCC[NH2+]C1 ZINC000643491030 430608304 /nfs/dbraw/zinc/60/83/04/430608304.db2.gz ROFWGQNYKDXJGS-VXGBXAGGSA-N 2 0 301.356 2.621 20 0 DFADRP Fc1ccc(N2CCC([NH2+][C@@H]3CC34CC[NH2+]CC4)CC2)c(F)c1 ZINC000643534850 430612450 /nfs/dbraw/zinc/61/24/50/430612450.db2.gz DQIYGHUSHCUJHS-QGZVFWFLSA-N 2 0 321.415 2.665 20 0 DFADRP C[C@H]([NH2+][C@@H]1CCC[NH2+]CC1)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000643522385 430613149 /nfs/dbraw/zinc/61/31/49/430613149.db2.gz MJHRRBRFRAXTIR-GXTWGEPZSA-N 2 0 301.434 2.709 20 0 DFADRP CC(C)[C@@H]([NH2+][C@H]1CCC[NH2+]CC1)c1ccc2[nH]c(=O)oc2c1 ZINC000643521832 430613309 /nfs/dbraw/zinc/61/33/09/430613309.db2.gz CPSCPVWCMDUGFW-XJKSGUPXSA-N 2 0 303.406 2.962 20 0 DFADRP C[C@H]([NH2+]Cc1ccc2c(c1)C[NH2+]C2)c1ccccc1-n1ccnn1 ZINC000643523746 430613353 /nfs/dbraw/zinc/61/33/53/430613353.db2.gz OPVFOQYRCDCQKQ-AWEZNQCLSA-N 2 0 319.412 2.721 20 0 DFADRP COCCOc1ccc([C@H](C)[NH2+][C@H]2CC23CC[NH2+]CC3)cc1 ZINC000643534545 430613475 /nfs/dbraw/zinc/61/34/75/430613475.db2.gz XPCUTSMRKNVZHG-YOEHRIQHSA-N 2 0 304.434 2.505 20 0 DFADRP Cc1nn(C)c2sc([C@@H](C)[NH2+][C@H]3CC34CC[NH2+]CC4)cc12 ZINC000643535365 430613849 /nfs/dbraw/zinc/61/38/49/430613849.db2.gz CHHZXGDWBTXDIB-RISCZKNCSA-N 2 0 304.463 2.736 20 0 DFADRP C[C@@H](CC(=O)N(C)c1ccccc1)[NH2+][C@@H]1CC[NH2+]C2(CCC2)C1 ZINC000643546680 430615678 /nfs/dbraw/zinc/61/56/78/430615678.db2.gz SQSQMFQJGAIRMG-JKSUJKDBSA-N 2 0 315.461 2.692 20 0 DFADRP C[C@@H]([NH2+][C@@H]1CCC[C@@H]1N1CC[C@@H](O)C1)[C@@H]1C[C@H]1c1ccccc1 ZINC000639369868 430623243 /nfs/dbraw/zinc/62/32/43/430623243.db2.gz AWUGORJTCRGMSE-CWFFCZEZSA-N 2 0 314.473 2.756 20 0 DFADRP CC(C)Oc1ccc(C[NH2+][C@@H]2CCC[C@@H]2N2CC[C@H](O)C2)cc1 ZINC000639370309 430623796 /nfs/dbraw/zinc/62/37/96/430623796.db2.gz MRGJYENLRMOSFF-UHOSZYNNSA-N 2 0 318.461 2.551 20 0 DFADRP C[C@@H](CCCC(F)(F)F)[NH2+][C@@H]1CCC[C@@H]1N1CC[C@H](O)C1 ZINC000639373256 430624775 /nfs/dbraw/zinc/62/47/75/430624775.db2.gz PEUAAIJVALJOKC-FQUUOJAGSA-N 2 0 308.388 2.685 20 0 DFADRP C[C@@H](CCc1ccccc1)[NH2+][C@@H]1CCC[C@@H]1N1CC[C@@H](O)C1 ZINC000639373692 430625530 /nfs/dbraw/zinc/62/55/30/430625530.db2.gz SYDOXNCUOLHFGV-AITUJVMLSA-N 2 0 302.462 2.585 20 0 DFADRP CC(C)[C@H](CO)C[NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]12 ZINC000554095005 430627362 /nfs/dbraw/zinc/62/73/62/430627362.db2.gz ASSJIYBFUPLCMD-FUMNGEBKSA-N 2 0 316.489 2.751 20 0 DFADRP CCn1c2ccccc2nc1CN(C)[C@H]1CC[N@H+](C)C[C@H]1C ZINC000571689926 430645763 /nfs/dbraw/zinc/64/57/63/430645763.db2.gz XSHRAFWQVHQSJI-ZBFHGGJFSA-N 2 0 300.450 2.828 20 0 DFADRP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cccc3c2CCOC3)[C@H](C)C1 ZINC000639531843 430664202 /nfs/dbraw/zinc/66/42/02/430664202.db2.gz BMZNUDNDEAMKDQ-BEFAXECRSA-N 2 0 302.462 2.921 20 0 DFADRP CSc1ccccc1NC(=O)CC[N@@H+]1CC[C@H]([NH3+])C[C@H]1C ZINC000572055677 430669836 /nfs/dbraw/zinc/66/98/36/430669836.db2.gz MFUAMECMFUYMQQ-OLZOCXBDSA-N 2 0 307.463 2.549 20 0 DFADRP Cc1ccc(NC(=O)[C@H](C)Cc2c[nH]cn2)c(C[NH+](C)C)c1 ZINC000572176738 430674826 /nfs/dbraw/zinc/67/48/26/430674826.db2.gz IRBJXHDIDNHHEY-CYBMUJFWSA-N 2 0 300.406 2.597 20 0 DFADRP C[C@@H]1CCCC[N@@H+]1CCC1CCN(C(=O)C[C@@H]2CCC[NH2+]2)CC1 ZINC000572247254 430678668 /nfs/dbraw/zinc/67/86/68/430678668.db2.gz ZZSFQCGRCNWLBB-AEFFLSMTSA-N 2 0 321.509 2.632 20 0 DFADRP C[C@@H]1C[C@H]([NH2+]CC2(c3ccc(F)cc3)CCOCC2)CC[N@@H+]1C ZINC000152043041 278025255 /nfs/dbraw/zinc/02/52/55/278025255.db2.gz HJHZOTZQMJZFPK-CRAIPNDOSA-N 2 0 320.452 2.946 20 0 DFADRP C[C@H](CCNC(=O)CC[C@@H]1CCC[NH2+]1)[N@H+](C)Cc1ccccc1 ZINC000292027387 278173138 /nfs/dbraw/zinc/17/31/38/278173138.db2.gz GIANHBNBZSKTTE-AEFFLSMTSA-N 2 0 317.477 2.545 20 0 DFADRP C[C@@H](C[N@H+](C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1)c1ccccc1 ZINC000371425602 278242648 /nfs/dbraw/zinc/24/26/48/278242648.db2.gz TXHJRGJJUADSIC-FXAWDEMLSA-N 2 0 315.505 2.890 20 0 DFADRP [NH3+]C1C[C@H]2CCC[C@@H](C1)C2[NH2+]Cc1cccc(-n2cccn2)c1 ZINC000572850322 430697827 /nfs/dbraw/zinc/69/78/27/430697827.db2.gz XNXDIGXUXYEWGV-GIOYIUAESA-N 2 0 310.445 2.868 20 0 DFADRP COc1ccccc1/C=C\C[NH2+]C1CCN([C@@H]2CCOC2)CC1 ZINC000657751341 430724926 /nfs/dbraw/zinc/72/49/26/430724926.db2.gz QMKJZQSVMIAWID-WLPBJKJWSA-N 2 0 316.445 2.551 20 0 DFADRP CCC[N@H+](C)CC(C)(C)NC(=O)CC[C@H]([NH3+])c1ccccc1 ZINC000664719668 430729691 /nfs/dbraw/zinc/72/96/91/430729691.db2.gz VPXZFJWNFIQQAG-INIZCTEOSA-N 2 0 305.466 2.703 20 0 DFADRP CC[N@H+](C)Cc1cccc(C[NH2+]C[C@H](O)Cc2ccccc2)c1 ZINC000644527132 430744545 /nfs/dbraw/zinc/74/45/45/430744545.db2.gz OGTRLBQJHZQZEV-HXUWFJFHSA-N 2 0 312.457 2.832 20 0 DFADRP C[C@H]1C[C@@H]([NH2+]CCOCC[NH+](C)C)c2ccsc2S1 ZINC000219312146 278481807 /nfs/dbraw/zinc/48/18/07/278481807.db2.gz KEWXUGRDASNXCO-WCQYABFASA-N 2 0 300.493 2.841 20 0 DFADRP C[C@@H]([NH2+]CCC(=O)Nc1ccc(Cl)cc1)C1CC[NH+](C)CC1 ZINC000644562919 430755319 /nfs/dbraw/zinc/75/53/19/430755319.db2.gz IHLPLIWYLPZUIW-CYBMUJFWSA-N 2 0 323.868 2.989 20 0 DFADRP CN(C)C[C@H](O)C[NH2+][C@@H]1CCCC[C@@H]1c1ccccc1Cl ZINC000657875774 430759237 /nfs/dbraw/zinc/75/92/37/430759237.db2.gz PFUWANAHESPXNT-FRFSOERESA-N 2 0 310.869 2.878 20 0 DFADRP C[NH+](C)Cc1cc(C[NH2+][C@@H]2CCCn3nccc32)ccc1F ZINC000657884165 430760342 /nfs/dbraw/zinc/76/03/42/430760342.db2.gz LLQNLYFCMJVFEV-MRXNPFEDSA-N 2 0 302.397 2.709 20 0 DFADRP Cc1c(F)cccc1NC(=O)CC[NH2+][C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000644583795 430760868 /nfs/dbraw/zinc/76/08/68/430760868.db2.gz KMSZJLSKWOOXOZ-CABCVRRESA-N 2 0 321.440 2.925 20 0 DFADRP COC1([C@@H](C)[NH2+]CC2CCN(c3cc[nH+]cc3)CC2)CCC1 ZINC000657910722 430765407 /nfs/dbraw/zinc/76/54/07/430765407.db2.gz WVWQUZIDUCQEGI-OAHLLOKOSA-N 2 0 303.450 2.845 20 0 DFADRP C[NH+](C)CCOc1cc(C[NH2+][C@@H]2[C@@H]3CCC[C@@H]3C2(C)C)ccn1 ZINC000657935670 430771343 /nfs/dbraw/zinc/77/13/43/430771343.db2.gz NLPAQYJBEYVKMM-SOLBZPMBSA-N 2 0 317.477 2.936 20 0 DFADRP COC[C@@H](CC1CCOCC1)[NH2+]CC[C@@H](C)[NH+]1CCCCC1 ZINC000657972402 430779580 /nfs/dbraw/zinc/77/95/80/430779580.db2.gz GEXWMHGJXIVROV-SJLPKXTDSA-N 2 0 312.498 2.672 20 0 DFADRP CN1CC[NH+](CCCC[NH2+][C@H]2CCCc3ccccc3C2)CC1 ZINC000648419169 430780896 /nfs/dbraw/zinc/78/08/96/430780896.db2.gz ZZPNUMQBFRIHCB-FQEVSTJZSA-N 2 0 315.505 2.551 20 0 DFADRP COc1ccc([C@@H](C)[NH2+][C@@H](C)CN(C)CCC[NH+](C)C)cc1 ZINC000658106816 430812987 /nfs/dbraw/zinc/81/29/87/430812987.db2.gz DTGLXMVVSDOMRU-JKSUJKDBSA-N 2 0 307.482 2.618 20 0 DFADRP Cc1nc2c(s1)[C@H]([NH2+][C@@H](C)CN(C)CCC[NH+](C)C)CCC2 ZINC000658106294 430813280 /nfs/dbraw/zinc/81/32/80/430813280.db2.gz ATQFTQZIXHNRRJ-DZGCQCFKSA-N 2 0 324.538 2.691 20 0 DFADRP C[C@@H](CN(C)CCC[NH+](C)C)[NH2+][C@H]1CCCc2ccc(O)cc21 ZINC000658107725 430815557 /nfs/dbraw/zinc/81/55/57/430815557.db2.gz NPQBHGAZALFSMY-KXBFYZLASA-N 2 0 319.493 2.631 20 0 DFADRP CC[C@H]([NH2+]Cc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1)[C@H]1C[C@H]1C ZINC000658135291 430821231 /nfs/dbraw/zinc/82/12/31/430821231.db2.gz CZLKIXKVHGPKHA-FCLVOEFKSA-N 2 0 302.462 2.777 20 0 DFADRP C[C@@H]([NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)C1(CO)CC1 ZINC000658155651 430825280 /nfs/dbraw/zinc/82/52/80/430825280.db2.gz QMTGOFQFLYLRGN-OWYHZJEWSA-N 2 0 314.473 2.933 20 0 DFADRP C[C@H]([NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)C1(CO)CC1 ZINC000658155643 430826194 /nfs/dbraw/zinc/82/61/94/430826194.db2.gz QMTGOFQFLYLRGN-DSLXNQLJSA-N 2 0 314.473 2.933 20 0 DFADRP Cc1cc(C)c(NC(=O)NCCN(C)CCC[NH+](C)C)c(C)c1 ZINC000665129518 430829774 /nfs/dbraw/zinc/82/97/74/430829774.db2.gz XYYHVYAQAWVBMH-UHFFFAOYSA-N 2 0 320.481 2.617 20 0 DFADRP C[C@H]([NH2+]CC1CC[NH+](Cc2ccncc2)CC1)[C@@]1(C)CCCO1 ZINC000658166810 430832799 /nfs/dbraw/zinc/83/27/99/430832799.db2.gz PGSRKMUEHLYTCE-QFBILLFUSA-N 2 0 317.477 2.841 20 0 DFADRP C[C@@H]([NH2+]CC1CC[NH+](Cc2ccncc2)CC1)[C@]1(C)CCCO1 ZINC000658166806 430833026 /nfs/dbraw/zinc/83/30/26/430833026.db2.gz PGSRKMUEHLYTCE-APWZRJJASA-N 2 0 317.477 2.841 20 0 DFADRP CC[C@H]1C[C@H]([NH2+]Cc2ccccc2OCC[NH+](C)C)CCO1 ZINC000648438097 430787013 /nfs/dbraw/zinc/78/70/13/430787013.db2.gz LECLSNOWTHCYTO-SJORKVTESA-N 2 0 306.450 2.674 20 0 DFADRP C[N@@H+]1C[C@@H](C[NH2+][C@@H]2COC3(CCC3)C2)[C@H](c2ccccc2)C1 ZINC000658041627 430791004 /nfs/dbraw/zinc/79/10/04/430791004.db2.gz DUPCZJBYNHDYDL-SQNIBIBYSA-N 2 0 300.446 2.633 20 0 DFADRP COCC[C@@H]1CCC[C@@H]1[NH2+]CC1CC[NH+](C2CCOCC2)CC1 ZINC000658069200 430797288 /nfs/dbraw/zinc/79/72/88/430797288.db2.gz CTEMLLNBXSBFQO-HKUYNNGSSA-N 2 0 324.509 2.672 20 0 DFADRP COC1([C@@H](C)[NH2+]CC2CC[NH+](C3CCOCC3)CC2)CCCC1 ZINC000658069493 430798054 /nfs/dbraw/zinc/79/80/54/430798054.db2.gz FRVKTLIKGHGRCT-MRXNPFEDSA-N 2 0 324.509 2.815 20 0 DFADRP CCO[C@H]1C[C@H]([NH2+]CC2CC[NH+](C3CCOCC3)CC2)C1(C)C ZINC000658066925 430798651 /nfs/dbraw/zinc/79/86/51/430798651.db2.gz GXUUJZLSDCLLNY-ROUUACIJSA-N 2 0 324.509 2.671 20 0 DFADRP C[C@H]([NH2+][C@@H](CO)C1CCC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000658088747 430805530 /nfs/dbraw/zinc/80/55/30/430805530.db2.gz UXWLWLOPJKEQMG-SNRMKQJTSA-N 2 0 302.462 2.648 20 0 DFADRP C[NH+](C)C1CCN(CC[NH2+][C@@H]2CCCc3ccccc3C2)CC1 ZINC000648500248 430809348 /nfs/dbraw/zinc/80/93/48/430809348.db2.gz QYZQQYPWVBZSTK-LJQANCHMSA-N 2 0 315.505 2.550 20 0 DFADRP CCC[NH+]1CCC([NH2+][C@H]2CCC[C@H]2Cc2cnn(C)c2)CC1 ZINC000658236034 430846725 /nfs/dbraw/zinc/84/67/25/430846725.db2.gz RECOKWKZPKCDJP-WMZOPIPTSA-N 2 0 304.482 2.595 20 0 DFADRP Cc1cncc(CC[NH2+]C2CC[NH+]([C@@H]3CCCC[C@@H]3C)CC2)n1 ZINC000658263279 430857458 /nfs/dbraw/zinc/85/74/58/430857458.db2.gz ZSCUOFUDDSLRAI-HNAYVOBHSA-N 2 0 316.493 2.960 20 0 DFADRP COC[C@@H](CC(C)(C)C)[NH2+]CCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000651720917 430858303 /nfs/dbraw/zinc/85/83/03/430858303.db2.gz OBWMMUNTFRUXQE-IXDOHACOSA-N 2 0 314.514 2.917 20 0 DFADRP O[C@@H]1CCC[C@H]1[NH+]1CCC([NH2+]Cc2cccc3c2CCC3)CC1 ZINC000651733401 430863164 /nfs/dbraw/zinc/86/31/64/430863164.db2.gz GNAGPPYWSQSWJY-WOJBJXKFSA-N 2 0 314.473 2.643 20 0 DFADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]C[C@H](OC1CCCC1)C(F)(F)F ZINC000665237796 430864656 /nfs/dbraw/zinc/86/46/56/430864656.db2.gz KCAVCOVKBIZKEI-BNOWGMLFSA-N 2 0 308.388 2.854 20 0 DFADRP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]C[C@@H]1CCN(c2ccccc2Cl)C1 ZINC000665234734 430864702 /nfs/dbraw/zinc/86/47/02/430864702.db2.gz JMQWBBDCERURAQ-DZKIICNBSA-N 2 0 307.869 2.883 20 0 DFADRP Cc1ccc(CC[NH2+][C@@H]2CCOC[C@H]2[C@@H]2CCC[NH2+]2)cc1C ZINC000665245235 430866554 /nfs/dbraw/zinc/86/65/54/430866554.db2.gz CILPUGDWXKJZLD-GBESFXJTSA-N 2 0 302.462 2.593 20 0 DFADRP [NH3+][C@@H]1C[C@H](N[C@@H]2C[NH2+]CC[C@@H]2c2ccccc2)c2ccccc21 ZINC000665252097 430869840 /nfs/dbraw/zinc/86/98/40/430869840.db2.gz GWNZNXLLAYWUPQ-GEALJGNFSA-N 2 0 307.441 2.867 20 0 DFADRP C[C@H]1[C@@H](O)CCC[N@@H+]1Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000648723993 430869973 /nfs/dbraw/zinc/86/99/73/430869973.db2.gz LCYMPBNDISHDFH-LPHOPBHVSA-N 2 0 318.461 2.506 20 0 DFADRP COC[C@@H](CC(C)(C)C)[NH2+]CCC[N@@H+]1CCCO[C@H](C)C1 ZINC000651786126 430874460 /nfs/dbraw/zinc/87/44/60/430874460.db2.gz LYHFHAMPFPVOHQ-HZPDHXFCSA-N 2 0 300.487 2.528 20 0 DFADRP Cc1cccnc1CC[NH2+]Cc1ccc(OCC[NH+](C)C)cc1 ZINC000648736969 430875459 /nfs/dbraw/zinc/87/54/59/430875459.db2.gz AIXJFYSIOHXYPR-UHFFFAOYSA-N 2 0 313.445 2.663 20 0 DFADRP Nc1ccc2c(c1)CC[C@H]2[NH2+]Cc1cc(C2CC[NH2+]CC2)no1 ZINC000665271058 430877304 /nfs/dbraw/zinc/87/73/04/430877304.db2.gz GGSLNPUIRFCOSL-QGZVFWFLSA-N 2 0 312.417 2.501 20 0 DFADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CCOC2(C)C)[C@H](C)C1 ZINC000658331188 430877439 /nfs/dbraw/zinc/87/74/39/430877439.db2.gz MBBQJLZVHZQYDE-IKGGRYGDSA-N 2 0 312.498 2.528 20 0 DFADRP [NH3+][C@@H]1CCC[C@H]1NC[C@@H]1C[N@H+](Cc2ccccc2)CC12CCC2 ZINC000665277237 430879667 /nfs/dbraw/zinc/87/96/67/430879667.db2.gz XERGCUJGLPMFGV-GUDVDZBRSA-N 3 0 313.489 2.758 20 0 DFADRP CC[C@H]([NH2+]CC1(CC(=O)NC)CCCCC1)[C@@H]1CCCC[NH2+]1 ZINC000665274982 430879725 /nfs/dbraw/zinc/87/97/25/430879725.db2.gz ADTCTFJKOLLRQA-HOTGVXAUSA-N 2 0 309.498 2.583 20 0 DFADRP C[C@@H]([NH2+]CC1CC[NH+](CC2CC2)CC1)c1cccc(CO)c1 ZINC000658355326 430883049 /nfs/dbraw/zinc/88/30/49/430883049.db2.gz IBFXIWSJHNCPTI-OAHLLOKOSA-N 2 0 302.462 2.952 20 0 DFADRP CCC[C@@H](CCc1ccccc1)[NH2+]Cc1nc(C[NH3+])cc(=O)[nH]1 ZINC000665292229 430888311 /nfs/dbraw/zinc/88/83/11/430888311.db2.gz WOJGLEAXLKZNJA-HNNXBMFYSA-N 2 0 314.433 2.532 20 0 DFADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CCC[C@@H](C)O2)[C@H](C)C1 ZINC000658217506 430843114 /nfs/dbraw/zinc/84/31/14/430843114.db2.gz FIGWAXIOERXLAK-BDXSIMOUSA-N 2 0 312.498 2.671 20 0 DFADRP C[C@@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]CC1CC[NH+](CC2CC2)CC1 ZINC000665300126 430890555 /nfs/dbraw/zinc/89/05/55/430890555.db2.gz YRVNIGBYCPRSMB-OXQOHEQNSA-N 3 0 315.505 2.657 20 0 DFADRP COc1ccccc1-c1cc(C[NH2+]C2CCC([NH3+])CC2)on1 ZINC000665299897 430891658 /nfs/dbraw/zinc/89/16/58/430891658.db2.gz VDURUHZJADBNDC-UHFFFAOYSA-N 2 0 301.390 2.710 20 0 DFADRP CC[N@H+](CCC[NH2+][C@@H]1CCC(=O)NC1(C)C)C1CCCCC1 ZINC000651910463 430913483 /nfs/dbraw/zinc/91/34/83/430913483.db2.gz UTZJDSLULBXHIN-MRXNPFEDSA-N 2 0 309.498 2.678 20 0 DFADRP C[NH+](C)CCOc1ccc(C[NH2+]C[C@]2(O)CCCC2(C)C)cc1 ZINC000645191677 430929084 /nfs/dbraw/zinc/92/90/84/430929084.db2.gz GLQGLFDWPMUVQZ-LJQANCHMSA-N 2 0 320.477 2.658 20 0 DFADRP CO[C@@H](C[NH2+]Cc1ccc(OCC[NH+]2CCCC2)cc1)C1CC1 ZINC000645205076 430935046 /nfs/dbraw/zinc/93/50/46/430935046.db2.gz DMSVJLIHGNJWMO-IBGZPJMESA-N 2 0 318.461 2.676 20 0 DFADRP C[C@@H]1[C@H](C(=O)Nc2ccc3c(c2)CC[C@@H]3[NH+](C)C)CC[N@@H+]1C ZINC000648922268 430938551 /nfs/dbraw/zinc/93/85/51/430938551.db2.gz CHDKVTDNFMTSBD-VMGRFDJRSA-N 2 0 301.434 2.514 20 0 DFADRP O[C@H]1CC[N@@H+](C2CCN(C/C=C\c3ccc(Cl)cc3)CC2)C1 ZINC000662152413 430979377 /nfs/dbraw/zinc/97/93/77/430979377.db2.gz UNWUHOKJYVNPKB-LPQSXRFUSA-N 2 0 320.864 2.884 20 0 DFADRP C[C@@H](c1ccccc1Cl)N1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000662154426 430981813 /nfs/dbraw/zinc/98/18/13/430981813.db2.gz FDJLJRKHRXQGRD-ZFWWWQNUSA-N 2 0 308.853 2.932 20 0 DFADRP C[C@H](CCc1ccccc1)[NH+]1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000662160077 430984544 /nfs/dbraw/zinc/98/45/44/430984544.db2.gz MFEHNNUDKHPOHM-VQIMIIECSA-N 2 0 302.462 2.539 20 0 DFADRP CC[NH+](CC)CCOc1ccc(NC(=O)C[C@@H]([NH3+])C(C)C)cc1 ZINC000645379652 430986052 /nfs/dbraw/zinc/98/60/52/430986052.db2.gz PAOWHQKBHUJXGI-QGZVFWFLSA-N 2 0 321.465 2.719 20 0 DFADRP C[NH+]1CCC(N2CC[C@@H]([NH2+][C@@H]3CCCC34CCCC4)C2)CC1 ZINC000645408962 430994314 /nfs/dbraw/zinc/99/43/14/430994314.db2.gz MDGBTQPZLZLJJK-SJLPKXTDSA-N 2 0 305.510 2.857 20 0 DFADRP CC[N@H+](CCCNC(=O)N1CCCC[C@H]1C[NH3+])C1CCCCC1 ZINC000652227530 430995295 /nfs/dbraw/zinc/99/52/95/430995295.db2.gz JJYCQRGXIMCSBB-KRWDZBQOSA-N 2 0 324.513 2.554 20 0 DFADRP CCCN(C(=O)c1ccc(C[NH+](CC)CC)o1)[C@@H]1CC[N@H+](C)C1 ZINC000649001600 430969744 /nfs/dbraw/zinc/96/97/44/430969744.db2.gz PPIQDYDSDLWLMI-OAHLLOKOSA-N 2 0 321.465 2.678 20 0 DFADRP c1cc(C[NH+]2CCC(OCC3CC3)CC2)c2c(c1)C[NH2+]CC2 ZINC000662257522 431020494 /nfs/dbraw/zinc/02/04/94/431020494.db2.gz PGTVZDNCWXWLNR-UHFFFAOYSA-N 2 0 300.446 2.723 20 0 DFADRP C[NH2+]CCC1CCN(Cc2csc(N(C)C3CC3)n2)CC1 ZINC000662264817 431022414 /nfs/dbraw/zinc/02/24/14/431022414.db2.gz MPCSHHPIYSNMKR-UHFFFAOYSA-N 2 0 308.495 2.563 20 0 DFADRP C[NH+](C/C=C/C[N@@H+](C)CC1=CCSC1)CC1=CCSC1 ZINC000662266681 431023803 /nfs/dbraw/zinc/02/38/03/431023803.db2.gz KYVJHNOOOAXZQM-ONEGZZNKSA-N 2 0 310.532 2.753 20 0 DFADRP CC1(C)C[NH2+][C@H]1C(=O)Nc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000645780425 431069282 /nfs/dbraw/zinc/06/92/82/431069282.db2.gz KPUBYFNJDXNICE-KRWDZBQOSA-N 2 0 315.461 2.999 20 0 DFADRP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCC[N@H+](CCCc3ccccc3)C2)C1 ZINC000652345902 431025754 /nfs/dbraw/zinc/02/57/54/431025754.db2.gz ONUVWPDNCPVXHW-QRVBRYPASA-N 2 0 302.462 2.838 20 0 DFADRP [NH3+]CCC[C@H](NC(=O)C[C@@H]1[NH2+]Cc2ccccc21)c1ccccc1 ZINC000659322995 431026605 /nfs/dbraw/zinc/02/66/05/431026605.db2.gz UKEYYVXEHWVEPD-OALUTQOASA-N 2 0 323.440 2.817 20 0 DFADRP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCC[N@H+](CCCOc3ccccc3)C2)C1 ZINC000652346814 431027233 /nfs/dbraw/zinc/02/72/33/431027233.db2.gz IPWQSRPWGNAIDG-YQVWRLOYSA-N 2 0 318.461 2.674 20 0 DFADRP [NH3+][C@@H]1CCO[C@H]([C@H]2CCC[N@H+](CCCOc3ccccc3)C2)C1 ZINC000652346813 431028656 /nfs/dbraw/zinc/02/86/56/431028656.db2.gz IPWQSRPWGNAIDG-SCTDSRPQSA-N 2 0 318.461 2.674 20 0 DFADRP c1cc(CN2CC[NH+](C3CCCCC3)CC2)c2c(c1)C[NH2+]CC2 ZINC000662275900 431029621 /nfs/dbraw/zinc/02/96/21/431029621.db2.gz CWPBIRILVBMIPU-UHFFFAOYSA-N 2 0 313.489 2.783 20 0 DFADRP CN(c1nc(C[N@@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)cs1)C1CC1 ZINC000662274448 431030197 /nfs/dbraw/zinc/03/01/97/431030197.db2.gz UIKZJXBYHFTNRZ-KBPBESRZSA-N 2 0 320.506 2.563 20 0 DFADRP Cc1ccc(C)c([C@H]2CCC[N@@H+]2C[C@H]2CCC3(C[NH2+]C3)O2)c1 ZINC000662278256 431031025 /nfs/dbraw/zinc/03/10/25/431031025.db2.gz DBBGCMSOVIKQJM-SJLPKXTDSA-N 2 0 300.446 2.961 20 0 DFADRP c1cc(C[N@@H+]2CCC[C@@H]2[C@H]2CCCOC2)c2c(c1)C[NH2+]CC2 ZINC000662284641 431031753 /nfs/dbraw/zinc/03/17/53/431031753.db2.gz YNPPJHRJBXXPGJ-PKOBYXMFSA-N 2 0 300.446 2.723 20 0 DFADRP FC(F)(F)[C@@H]1CC[N@H+](C[C@@H]2CCC3(C[NH2+]C3)O2)CC12CCC2 ZINC000662280828 431032251 /nfs/dbraw/zinc/03/22/51/431032251.db2.gz GCHXACWCUHRCHL-QWHCGFSZSA-N 2 0 318.383 2.562 20 0 DFADRP C[C@H]1[NH2+]CC[C@H]1C(=O)Nc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000645780464 431069471 /nfs/dbraw/zinc/06/94/71/431069471.db2.gz ROTKSLGQNMWYJC-CRAIPNDOSA-N 2 0 315.461 2.999 20 0 DFADRP c1ccc(C[C@@H]2CCCC[C@H]2[NH2+]C[C@H]2CCC3(C[NH2+]C3)O2)cc1 ZINC000662283497 431032579 /nfs/dbraw/zinc/03/25/79/431032579.db2.gz UEESQYOLKSTSSU-IPMKNSEASA-N 2 0 314.473 2.899 20 0 DFADRP Clc1ccc([C@@H]([NH2+]C[C@H]2CCC3(C[NH2+]C3)O2)C2CC2)cc1 ZINC000662283570 431032691 /nfs/dbraw/zinc/03/26/91/431032691.db2.gz VEKWHWRRRFWLPD-CVEARBPZSA-N 2 0 306.837 2.902 20 0 DFADRP CN(C)c1ccccc1C[N@@H+]1CCCC[C@@H]1[C@@H]1C[C@@H]([NH3+])CCO1 ZINC000652363826 431032905 /nfs/dbraw/zinc/03/29/05/431032905.db2.gz OWPPWJMXTUHNPG-UHOSZYNNSA-N 2 0 317.477 2.613 20 0 DFADRP CO[C@H](C[N@@H+]1CCCC[C@@H]1[C@H]1C[C@@H]([NH3+])CCO1)C1CCCCC1 ZINC000662285076 431034075 /nfs/dbraw/zinc/03/40/75/431034075.db2.gz WEMNTHOCXBOAEQ-WJFTUGDTSA-N 2 0 324.509 2.943 20 0 DFADRP Fc1ccccc1C[C@H]1CCCC[N@@H+]1C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662286960 431034273 /nfs/dbraw/zinc/03/42/73/431034273.db2.gz VFQGQVMPMJZWAH-IAGOWNOFSA-N 2 0 318.436 2.744 20 0 DFADRP C[C@@H](C(=O)NC1CCCCC1)[NH+]1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000662290640 431036231 /nfs/dbraw/zinc/03/62/31/431036231.db2.gz HDAQSOLDMPUCHD-RDJZCZTQSA-N 2 0 321.509 2.535 20 0 DFADRP CC(C)C[C@H](C)N(C)C(=O)C[N@@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662297801 431037480 /nfs/dbraw/zinc/03/74/80/431037480.db2.gz RYJBCORMPWHXJW-WMZOPIPTSA-N 2 0 323.525 2.591 20 0 DFADRP c1cc(C[NH+]2CCC([C@@H]3CCC[NH2+]C3)CC2)c2c(c1)C[NH2+]CC2 ZINC000662295176 431038089 /nfs/dbraw/zinc/03/80/89/431038089.db2.gz UBCJQJLVFWIRDQ-QGZVFWFLSA-N 3 0 313.489 2.544 20 0 DFADRP CC(C)[NH2+]CC(=O)NCc1ccccc1C[N@@H+]1CCC[C@@H](C)C1 ZINC000662388166 431069783 /nfs/dbraw/zinc/06/97/83/431069783.db2.gz JUVOOMMETZIFSF-MRXNPFEDSA-N 2 0 317.477 2.533 20 0 DFADRP C[C@@H]1CCC[N@H+](Cc2cccc3c2CC[NH2+]C3)[C@@H]1CCC[NH3+] ZINC000662309898 431041923 /nfs/dbraw/zinc/04/19/23/431041923.db2.gz AHLSXGBUCHNABO-DNVCBOLYSA-N 3 0 301.478 2.672 20 0 DFADRP CC1(C)C[NH2+][C@@H]1C(=O)Nc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000645780426 431069816 /nfs/dbraw/zinc/06/98/16/431069816.db2.gz KPUBYFNJDXNICE-QGZVFWFLSA-N 2 0 315.461 2.999 20 0 DFADRP C[C@@H]1CCC[N@H+](Cc2cccc(C(=O)N(C)C)c2)[C@@H]1CCC[NH3+] ZINC000662311979 431042759 /nfs/dbraw/zinc/04/27/59/431042759.db2.gz FCHLZYYPORBPPS-CRAIPNDOSA-N 2 0 317.477 2.728 20 0 DFADRP CC(C)([NH3+])CC(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC000645674147 431047160 /nfs/dbraw/zinc/04/71/60/431047160.db2.gz NNXSUSMSKJPPRN-UHFFFAOYSA-N 2 0 303.450 2.781 20 0 DFADRP C[NH+](C)CCC[C@@H]1C[N@H+](Cc2cccc3cccnc32)CCO1 ZINC000662324192 431047599 /nfs/dbraw/zinc/04/75/99/431047599.db2.gz VUYAQIAZXMWZNE-GOSISDBHSA-N 2 0 313.445 2.777 20 0 DFADRP C[C@@H]1C[N@H+](CCCC2CC[NH2+]CC2)C[C@H](CC(F)(F)F)O1 ZINC000662326321 431048771 /nfs/dbraw/zinc/04/87/71/431048771.db2.gz RHLDBVUZFHVWMU-OCCSQVGLSA-N 2 0 308.388 2.808 20 0 DFADRP CC(C)([NH3+])CCC(=O)NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000649278987 431055589 /nfs/dbraw/zinc/05/55/89/431055589.db2.gz QBAJFMWOILVTBB-CYBMUJFWSA-N 2 0 309.479 2.519 20 0 DFADRP CC(C)[N@H+](C)Cc1ccccc1CNC(=O)[C@@H]1CCC[C@H]1C[NH3+] ZINC000649288739 431057309 /nfs/dbraw/zinc/05/73/09/431057309.db2.gz DCEUJDZYRDWUEZ-MAUKXSAKSA-N 2 0 317.477 2.518 20 0 DFADRP CC[NH+](CC)[C@H](CNC(=O)[C@@H]1CCC[C@H]1C[NH3+])c1ccsc1 ZINC000649292671 431057497 /nfs/dbraw/zinc/05/74/97/431057497.db2.gz YHZLOAORWGFAJJ-NUEKZKHPSA-N 2 0 323.506 2.622 20 0 DFADRP CCC[N@H+](C[C@H]1CCC2(C[NH2+]C2)O1)[C@@H]1CCc2ccccc21 ZINC000662252262 431015348 /nfs/dbraw/zinc/01/53/48/431015348.db2.gz NFVSEMOGRPQWBL-SJLPKXTDSA-N 2 0 300.446 2.907 20 0 DFADRP CC(C)[C@H]([NH3+])CC(=O)NCc1ccccc1C[N@H+](C)C(C)C ZINC000645494389 431015432 /nfs/dbraw/zinc/01/54/32/431015432.db2.gz GYPZEVAIAQLBLV-QGZVFWFLSA-N 2 0 305.466 2.516 20 0 DFADRP Clc1ccccc1C[C@@H]1CCC[N@@H+]1C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662253023 431016775 /nfs/dbraw/zinc/01/67/75/431016775.db2.gz GLHHJFKKGKDQEZ-JKSUJKDBSA-N 2 0 320.864 2.868 20 0 DFADRP Cc1ccccc1N1CC[NH+](Cc2cccc3c2CC[NH2+]C3)CC1 ZINC000662259322 431018040 /nfs/dbraw/zinc/01/80/40/431018040.db2.gz VBPWBNVIWQAWLG-UHFFFAOYSA-N 2 0 321.468 2.963 20 0 DFADRP CC[C@H](Cc1ccccc1)[N@H+](CC)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662258680 431018603 /nfs/dbraw/zinc/01/86/03/431018603.db2.gz YZBMQWPYERKXJW-QZTJIDSGSA-N 2 0 302.462 2.851 20 0 DFADRP C[C@@H]([NH2+]C(C)(C)CNC(=O)c1ccc(C[NH3+])o1)c1ccccc1 ZINC000645927483 431117507 /nfs/dbraw/zinc/11/75/07/431117507.db2.gz OIIJMDDROWSCMF-CYBMUJFWSA-N 2 0 315.417 2.598 20 0 DFADRP Cc1nn(-c2ccc(C)cc2)cc1C[NH2+]CC1=CC[N@H+](C)CC1 ZINC000655755610 431117724 /nfs/dbraw/zinc/11/77/24/431117724.db2.gz GKXIIYXMDVIECV-UHFFFAOYSA-N 2 0 310.445 2.841 20 0 DFADRP Cc1cc2c(c(C)c1)[C@@H]([NH2+][C@H](C)CCN1CC[NH+](C)CC1)CC2 ZINC000655756950 431118857 /nfs/dbraw/zinc/11/88/57/431118857.db2.gz LQHCIHJAMANOOE-MJGOQNOKSA-N 2 0 315.505 2.906 20 0 DFADRP C[C@H]([NH2+][C@@]1(CO)CCCN(Cc2ccccc2)C1)[C@H]1C[C@H]1C ZINC000666120279 431121301 /nfs/dbraw/zinc/12/13/01/431121301.db2.gz JOHIVJUNZLJFRO-NEPXVJNWSA-N 2 0 302.462 2.648 20 0 DFADRP Cc1cc2c(c(C)c1)[C@@H]([NH2+]CCN1CC[N@@H+](C)C(C)(C)C1)CC2 ZINC000655762433 431123724 /nfs/dbraw/zinc/12/37/24/431123724.db2.gz FDBUPKNUTSTBSK-SFHVURJKSA-N 2 0 315.505 2.906 20 0 DFADRP CC(C)C[C@H](C[NH3+])CC(=O)NC[C@@H](c1ccc(F)cc1)[NH+](C)C ZINC000662397165 431070926 /nfs/dbraw/zinc/07/09/26/431070926.db2.gz XTSAKPZGSZVYPV-YOEHRIQHSA-N 2 0 323.456 2.556 20 0 DFADRP C[NH+](C)[C@@H](CNC(=O)CCC(C)(C)[NH3+])c1ccc(Cl)cc1 ZINC000649346577 431071746 /nfs/dbraw/zinc/07/17/46/431071746.db2.gz SXEZIYDMGYWVEI-AWEZNQCLSA-N 2 0 311.857 2.576 20 0 DFADRP CC(C)C[C@H](C[NH3+])CC(=O)NC[C@H]([NH3+])c1ccc(C(C)C)cc1 ZINC000662410758 431073766 /nfs/dbraw/zinc/07/37/66/431073766.db2.gz NIFSRQMAHKIQIT-YJBOKZPZSA-N 2 0 319.493 2.937 20 0 DFADRP Cc1ccc([C@@H](CNC(=O)C[C@H]([NH3+])C(C)C)[NH+]2CCCC2)cc1 ZINC000645801976 431076410 /nfs/dbraw/zinc/07/64/10/431076410.db2.gz YLINIFGZDRSEEH-ZWKOTPCHSA-N 2 0 317.477 2.622 20 0 DFADRP CCCC[NH+]1CCC(NC(=O)C[C@H]2[NH2+]Cc3ccccc32)CC1 ZINC000662419273 431076597 /nfs/dbraw/zinc/07/65/97/431076597.db2.gz XSDXFYJQMCFFSX-GOSISDBHSA-N 2 0 315.461 2.602 20 0 DFADRP C[NH+](C)CC(C)(C)CNC(=O)C1CC[NH+](CC2=CCCC2)CC1 ZINC000645806924 431078100 /nfs/dbraw/zinc/07/81/00/431078100.db2.gz BFRKYWGQTAVSHO-UHFFFAOYSA-N 2 0 321.509 2.513 20 0 DFADRP CC(C)[C@H]([NH3+])CC(=O)N1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000649378495 431082552 /nfs/dbraw/zinc/08/25/52/431082552.db2.gz AGEWSGUWOLRADC-FUHWJXTLSA-N 2 0 323.525 2.863 20 0 DFADRP Cc1cc2c(c(C)c1)[C@@H]([NH2+]C1CCN(CC[NH+](C)C)CC1)CC2 ZINC000655687458 431082674 /nfs/dbraw/zinc/08/26/74/431082674.db2.gz POWNZROUQHKCLL-IBGZPJMESA-N 2 0 315.505 2.906 20 0 DFADRP CC[C@H]([NH2+]C)C(=O)NCC1([NH2+][C@H](C)c2ccccc2)CCCC1 ZINC000662452020 431084749 /nfs/dbraw/zinc/08/47/49/431084749.db2.gz OKKOCMDSUYSIKR-WBVHZDCISA-N 2 0 317.477 2.764 20 0 DFADRP CC[NH+]1CCN([C@H](C)C[NH2+][C@H]2CCc3cc(C)cc(C)c32)CC1 ZINC000655690079 431085828 /nfs/dbraw/zinc/08/58/28/431085828.db2.gz USSKCZVXYYEGCQ-MJGOQNOKSA-N 2 0 315.505 2.906 20 0 DFADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCNCc2cc3n(n2)CCCC3)C1 ZINC000655712783 431093960 /nfs/dbraw/zinc/09/39/60/431093960.db2.gz UYWSGVDCZWQUIJ-IYBDPMFKSA-N 2 0 304.482 2.677 20 0 DFADRP C(CC1CC[NH2+]CC1)CN1CC[NH+](CC2CCCCC2)CC1 ZINC000649411701 431094242 /nfs/dbraw/zinc/09/42/42/431094242.db2.gz UWNPVHAZWNOYEI-UHFFFAOYSA-N 2 0 307.526 2.964 20 0 DFADRP Cc1cc2c(c(C)c1)[C@H]([NH2+]C[C@@H](C)N1CC[NH+](C)CC1)CC2 ZINC000655716935 431095818 /nfs/dbraw/zinc/09/58/18/431095818.db2.gz QLDVNWFIHDIZGO-SJLPKXTDSA-N 2 0 301.478 2.516 20 0 DFADRP COc1c(C)cnc(C[N@@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)c1C ZINC000649417993 431096371 /nfs/dbraw/zinc/09/63/71/431096371.db2.gz TXRCBPOYIXRXEL-DLBZAZTESA-N 2 0 317.477 2.919 20 0 DFADRP Cc1cc2c(c(C)c1)[C@@H]([NH2+]CCN1CCC([NH+](C)C)CC1)CC2 ZINC000655718504 431097160 /nfs/dbraw/zinc/09/71/60/431097160.db2.gz KXQBZCGDODUSSO-IBGZPJMESA-N 2 0 315.505 2.906 20 0 DFADRP CC[N@H+](C)[C@@H](C(=O)NC[C@@H](C)C[NH+]1CCCC1)c1ccccc1 ZINC000264027640 279042967 /nfs/dbraw/zinc/04/29/67/279042967.db2.gz LSHCNVCMXIFJGM-SJLPKXTDSA-N 2 0 317.477 2.528 20 0 DFADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1NC1CC[NH+](CC2CCCC2)CC1 ZINC000178158691 288102804 /nfs/dbraw/zinc/10/28/04/288102804.db2.gz NDFCZZNXJQTQEK-MDZRGWNJSA-N 2 0 307.526 2.959 20 0 DFADRP CC(C)C[C@H](C)N(C)C(=O)C[N@@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000374074139 279098793 /nfs/dbraw/zinc/09/87/93/279098793.db2.gz IFDJPMQIPDLWIU-KRWDZBQOSA-N 2 0 323.525 2.687 20 0 DFADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+][C@H]1CCOC2(CCSCC2)C1 ZINC000358289683 288104812 /nfs/dbraw/zinc/10/48/12/288104812.db2.gz DCEIKWDMZTYNDU-WCVJEAGWSA-N 2 0 312.523 2.750 20 0 DFADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1NC1CC[NH+](CC2CCCC2)CC1 ZINC000178158714 288105620 /nfs/dbraw/zinc/10/56/20/288105620.db2.gz NDFCZZNXJQTQEK-GPMSIDNRSA-N 2 0 307.526 2.959 20 0 DFADRP CC[NH+](CC)Cc1ccc(C(=O)N2CC[N@H+](CC)C[C@@H]2C)cc1 ZINC000288339282 279136487 /nfs/dbraw/zinc/13/64/87/279136487.db2.gz IQQDLPKIROHSRI-INIZCTEOSA-N 2 0 317.477 2.695 20 0 DFADRP CC[NH+](CC)[C@@H](C(=O)NCC[N@H+](CC)C1CC1)c1ccccc1 ZINC000355641593 279140995 /nfs/dbraw/zinc/14/09/95/279140995.db2.gz HTIWBNSMQXUFIW-GOSISDBHSA-N 2 0 317.477 2.670 20 0 DFADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1[NH2+]CC1CCN(c2cc[nH+]cc2)CC1 ZINC000089214962 288101419 /nfs/dbraw/zinc/10/14/19/288101419.db2.gz JQQZQVHHAQELDL-GJYPPUQNSA-N 3 0 316.493 2.616 20 0 DFADRP C[C@@]1(C[N@@H+]2CCC[C@H](c3nc(C(F)(F)F)c[nH]3)C2)CC[NH2+]C1 ZINC000262064548 279159542 /nfs/dbraw/zinc/15/95/42/279159542.db2.gz RMCNLROOCBRXPG-SMDDNHRTSA-N 2 0 316.371 2.608 20 0 DFADRP C[C@@]1([NH3+])CCCC[C@H]1C(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000263015852 279168813 /nfs/dbraw/zinc/16/88/13/279168813.db2.gz QJAKFVNMQJYQMZ-PKOBYXMFSA-N 2 0 321.509 2.807 20 0 DFADRP CC[N@H+](Cc1ccc(C(=O)N[C@@H]2CCC[C@@H]2C[NH3+])cc1)C(C)C ZINC000157806718 279235180 /nfs/dbraw/zinc/23/51/80/279235180.db2.gz UGVAZIQJWMDREC-QZTJIDSGSA-N 2 0 317.477 2.774 20 0 DFADRP CC[N@H+](Cc1ccc(C(=O)NC[C@H]2CC[NH+](C)C2)cc1)C(C)C ZINC000110652354 279235189 /nfs/dbraw/zinc/23/51/89/279235189.db2.gz QUFCFWWRQMFTKG-QGZVFWFLSA-N 2 0 317.477 2.598 20 0 DFADRP C[C@H](CC(=O)Nc1ccccc1)[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000319385456 279247395 /nfs/dbraw/zinc/24/73/95/279247395.db2.gz KJETXUPSDCGFDR-DJIMGWMZSA-N 2 0 301.434 2.620 20 0 DFADRP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@H]1C[C@H](c2ccccc2)C1(C)C ZINC000123205246 279313719 /nfs/dbraw/zinc/31/37/19/279313719.db2.gz MYQUALXTNWOYHQ-QRQLOZEOSA-N 2 0 315.505 2.794 20 0 DFADRP C[C@@H]1C[C@H](C)C[N@@H+](CCN2CCC([NH+]3CCCCC3)CC2)C1 ZINC000659845820 431142827 /nfs/dbraw/zinc/14/28/27/431142827.db2.gz LTJNGJNCDPYGLN-HDICACEKSA-N 2 0 307.526 2.915 20 0 DFADRP C[C@H](CNC(=O)[C@@H](C)[C@@H]([NH3+])c1ccccc1)[N@@H+]1CCC[C@@H](C)C1 ZINC000237566679 279340242 /nfs/dbraw/zinc/34/02/42/279340242.db2.gz PHZASWRAAFILFU-XLMAVXFVSA-N 2 0 317.477 2.559 20 0 DFADRP C[C@H](C[NH2+][C@@H](C)c1ccc(NC(=O)NC2CC2)cc1)C[NH+](C)C ZINC000293824172 279348203 /nfs/dbraw/zinc/34/82/03/279348203.db2.gz WFXFLTZEVQNURH-KGLIPLIRSA-N 2 0 318.465 2.819 20 0 DFADRP C[C@H](C[NH2+][C@@H]1CCC[C@H](c2ccnn2C)C1)C[NH+]1CCCC1 ZINC000366075713 279349431 /nfs/dbraw/zinc/34/94/31/279349431.db2.gz XBIFWCKGSUPACB-IXDOHACOSA-N 2 0 304.482 2.768 20 0 DFADRP C[C@H](Cc1ccc(Cl)cc1)[NH2+][C@@H](C)CCN1CC[NH+](C)CC1 ZINC000186606163 279378740 /nfs/dbraw/zinc/37/87/40/279378740.db2.gz JPIUXXRUNBEARD-JKSUJKDBSA-N 2 0 323.912 2.887 20 0 DFADRP C[C@H]1C[C@H](C)C[NH+](C(C)(C)CNC(=O)C2([NH3+])CC3(CCC3)C2)C1 ZINC000662695970 431164702 /nfs/dbraw/zinc/16/47/02/431164702.db2.gz RNXCZRBZORDBMX-GJZGRUSLSA-N 2 0 321.509 2.521 20 0 DFADRP C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)[C@@H]1CCCCCC[C@@H]1[NH3+] ZINC000662692858 431165099 /nfs/dbraw/zinc/16/50/99/431165099.db2.gz GZJLAMVBXUJMFG-BBWFWOEESA-N 2 0 309.498 2.521 20 0 DFADRP [NH3+][C@H]1C[C@H](C(=O)Nc2ccc(C[NH+]3CCCCCC3)cc2)C1 ZINC000662698381 431165112 /nfs/dbraw/zinc/16/51/12/431165112.db2.gz KZOTWBMXGINWID-WKILWMFISA-N 2 0 301.434 2.738 20 0 DFADRP CN1CCC[C@@H]1C[N@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000649572694 431167281 /nfs/dbraw/zinc/16/72/81/431167281.db2.gz FXINQQYMJCQUAR-LJQANCHMSA-N 2 0 316.493 2.714 20 0 DFADRP CC(C)[NH2+]CCC(=O)NC[C@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000646071462 431169919 /nfs/dbraw/zinc/16/99/19/431169919.db2.gz NWRIEGGBHWNMQJ-PBHICJAKSA-N 2 0 323.506 2.635 20 0 DFADRP C[NH+](C)[C@H]1C[C@@H](C[NH2+]Cc2csc(-c3ccccn3)n2)C1 ZINC000655827670 431174638 /nfs/dbraw/zinc/17/46/38/431174638.db2.gz XOLCGPYVDUXTLE-XBXGTLAGSA-N 2 0 302.447 2.635 20 0 DFADRP CCN(C[C@H]1CCC[N@@H+]1C)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000649585842 431176859 /nfs/dbraw/zinc/17/68/59/431176859.db2.gz HZZKWCXXCAMTQQ-RTBURBONSA-N 2 0 301.478 2.677 20 0 DFADRP CC(C)[N@H+](C)C[C@H](O)C[NH+]1CCC[C@H](Cc2ccccc2)C1 ZINC000659902773 431179947 /nfs/dbraw/zinc/17/99/47/431179947.db2.gz BUUHOWTXCMHLPN-MOPGFXCFSA-N 2 0 304.478 2.642 20 0 DFADRP CC(C)CC[NH+]1CCC(CNC(=O)C2([NH2+]C3CC3)CCC2)CC1 ZINC000662750396 431182927 /nfs/dbraw/zinc/18/29/27/431182927.db2.gz DGQXJEMCFPBFKQ-UHFFFAOYSA-N 2 0 321.509 2.535 20 0 DFADRP Cc1cc[nH+]c(NC[C@@H]2CC[N@H+](CCO[C@@H]3CC3(F)F)C2)c1 ZINC000659906752 431184885 /nfs/dbraw/zinc/18/48/85/431184885.db2.gz PGJIEYTVKVZAIJ-UONOGXRCSA-N 2 0 311.376 2.548 20 0 DFADRP C[NH+]1CCC2(CC1)C[N@H+](C[C@@H]1C[C@H]1c1ccccc1)CCO2 ZINC000646106928 431191604 /nfs/dbraw/zinc/19/16/04/431191604.db2.gz YJMAYNUAORXKAX-ROUUACIJSA-N 2 0 300.446 2.587 20 0 DFADRP Cc1ccc(C[N@H+]2CC[C@H](CN(C)C[C@@H]3CCC[NH+]3C)C2)s1 ZINC000649603433 431191943 /nfs/dbraw/zinc/19/19/43/431191943.db2.gz MFQPPZYMSSJMJZ-SJORKVTESA-N 2 0 321.534 2.904 20 0 DFADRP Cc1ccc(C[NH+]2CC[C@@H](C[N@@H+](C)CC3(C)COC3)C2)s1 ZINC000649604008 431192536 /nfs/dbraw/zinc/19/25/36/431192536.db2.gz NILXSFGUXBWEKK-HNNXBMFYSA-N 2 0 308.491 2.847 20 0 DFADRP C[C@@H]1C[C@H](C)C[N@@H+](CCN2CCC[C@H]([NH+]3CCCC3)CC2)C1 ZINC000659943804 431198827 /nfs/dbraw/zinc/19/88/27/431198827.db2.gz FILAEADIWJVWMU-OTWHNJEPSA-N 2 0 307.526 2.915 20 0 DFADRP COc1ccc2c(c1)CCC[C@H]2N(C)C[C@@H](O)C[N@H+](C)C(C)C ZINC000659858470 431152672 /nfs/dbraw/zinc/15/26/72/431152672.db2.gz DNWALDRGAZIRGI-QFBILLFUSA-N 2 0 320.477 2.706 20 0 DFADRP CC(C)C1CCC([NH+]2CCN(C[C@H]3CCC[N@@H+]3C)CC2)CC1 ZINC000649549980 431153597 /nfs/dbraw/zinc/15/35/97/431153597.db2.gz ZBHDUOWMFOYEFM-CTWPCTMYSA-N 2 0 307.526 2.913 20 0 DFADRP CC(C)C1CCC([NH+]2CCN(C[C@@H]3CCC[N@@H+]3C)CC2)CC1 ZINC000649549979 431153982 /nfs/dbraw/zinc/15/39/82/431153982.db2.gz ZBHDUOWMFOYEFM-ACBHZAAOSA-N 2 0 307.526 2.913 20 0 DFADRP COc1ccc2c(c1)CCC[C@H]2N(C)C[C@H](O)C[N@H+](C)C(C)C ZINC000659858475 431155105 /nfs/dbraw/zinc/15/51/05/431155105.db2.gz DNWALDRGAZIRGI-VQIMIIECSA-N 2 0 320.477 2.706 20 0 DFADRP C[C@H]([NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1)c1ccc(OCC[NH+](C)C)cc1 ZINC000655805050 431155363 /nfs/dbraw/zinc/15/53/63/431155363.db2.gz AIHLBBCRLRTESN-XYJFISCASA-N 3 0 319.493 2.618 20 0 DFADRP C[NH+](C)[C@H]1C[C@@H](C[NH2+][C@H]2CCCN(Cc3ccccc3)C2)C1 ZINC000655805271 431155986 /nfs/dbraw/zinc/15/59/86/431155986.db2.gz FEPKUYIFVCGOBD-GBESFXJTSA-N 2 0 301.478 2.581 20 0 DFADRP [NH3+]CC1(CC(=O)N[C@H]2CC[N@@H+](C3CCCCC3)C2)CCCCC1 ZINC000662668675 431156246 /nfs/dbraw/zinc/15/62/46/431156246.db2.gz PAZCKKCPLZBVMY-INIZCTEOSA-N 2 0 321.509 2.809 20 0 DFADRP COc1ccc(C[C@@H](C)[NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)cc1OC ZINC000655806212 431156308 /nfs/dbraw/zinc/15/63/08/431156308.db2.gz RMLZOELPTIOCRA-BMFZPTHFSA-N 2 0 306.450 2.565 20 0 DFADRP C[C@H](c1ccccc1)N1CC[C@@H]([NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)C1 ZINC000655806148 431156630 /nfs/dbraw/zinc/15/66/30/431156630.db2.gz PSHACOKRVJFBOE-RWQQGDIJSA-N 2 0 301.478 2.752 20 0 DFADRP COCC[C@H](Cc1cccc(F)c1)[NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000655805447 431157529 /nfs/dbraw/zinc/15/75/29/431157529.db2.gz HJWXOAPDXRGLPF-NXHRZFHOSA-N 2 0 308.441 2.703 20 0 DFADRP C[C@@H]([NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1)c1cnn(Cc2ccccc2)c1 ZINC000655805960 431157811 /nfs/dbraw/zinc/15/78/11/431157811.db2.gz NZZFCKJSOOGYBD-SUMDDJOVSA-N 2 0 312.461 2.922 20 0 DFADRP Cc1c([C@H](C)[NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)nnn1-c1ccccc1 ZINC000655805541 431158637 /nfs/dbraw/zinc/15/86/37/431158637.db2.gz ITALNEXJXZHHQG-JLJPHGGASA-N 2 0 313.449 2.567 20 0 DFADRP CC(C)[N@H+](C)Cc1ccccc1CNC(=O)[C@H]1[NH2+]CCC1(C)C ZINC000662676179 431158703 /nfs/dbraw/zinc/15/87/03/431158703.db2.gz SRSVBHGPRGGEEE-QGZVFWFLSA-N 2 0 317.477 2.531 20 0 DFADRP CC(C)C[C@H](C[NH3+])CC(=O)NC[C@H](C1CCCCC1)[NH+](C)C ZINC000662680003 431159130 /nfs/dbraw/zinc/15/91/30/431159130.db2.gz RHMDIIAHUDEFFQ-DOTOQJQBSA-N 2 0 311.514 2.624 20 0 DFADRP CCc1csc(CC2CC[NH+](CC3CC[NH2+]CC3)CC2)n1 ZINC000655927027 431221463 /nfs/dbraw/zinc/22/14/63/431221463.db2.gz MSUXKPLFYLTAIJ-UHFFFAOYSA-N 2 0 307.507 2.960 20 0 DFADRP [NH3+]CC1(CC(=O)NCC2CC[NH+](CC3CC3)CC2)CCCCC1 ZINC000662971586 431246756 /nfs/dbraw/zinc/24/67/56/431246756.db2.gz IIJVSLKZCFLQFD-UHFFFAOYSA-N 2 0 321.509 2.524 20 0 DFADRP C[NH+](C)CC[C@@H](N)C(=O)Nc1cccc(Oc2ccccc2)c1 ZINC000653057294 431247524 /nfs/dbraw/zinc/24/75/24/431247524.db2.gz XUIHUIHKOFJXRT-QGZVFWFLSA-N 2 0 313.401 2.696 20 0 DFADRP [NH3+][C@@H](CC1CCCCC1)C(=O)NC[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000663002306 431254396 /nfs/dbraw/zinc/25/43/96/431254396.db2.gz CYFQHXMGGAGLEA-ROUUACIJSA-N 2 0 321.509 2.522 20 0 DFADRP Cc1cc(C[NH+](C)C)cc(NC(=O)[C@@H]2CC[C@H](C3CC3)[NH2+]2)c1 ZINC000653152284 431284137 /nfs/dbraw/zinc/28/41/37/431284137.db2.gz HVRLLGYIRJASDK-SJORKVTESA-N 2 0 301.434 2.526 20 0 DFADRP C[NH+](C)[C@H]1C[C@@H](C[NH2+]C[C@@H](O)Cc2ccc3ccccc3c2)C1 ZINC000656152961 431286660 /nfs/dbraw/zinc/28/66/60/431286660.db2.gz DCXQXAVLLRVPLX-DBVUQKKJSA-N 2 0 312.457 2.673 20 0 DFADRP CCN1C[C@H](C[N@H+](C)C[C@@H]2CC[NH2+][C@@H](C)C2)Oc2ccccc21 ZINC000666616081 431298775 /nfs/dbraw/zinc/29/87/75/431298775.db2.gz JZPYAKJXYPENNJ-BBWFWOEESA-N 2 0 317.477 2.594 20 0 DFADRP CC(C)[NH2+]CCC(=O)N[C@@H](C[NH+]1CCCCC1)c1ccccc1 ZINC000646410082 431300375 /nfs/dbraw/zinc/30/03/75/431300375.db2.gz PRFVHELYXMTYIQ-SFHVURJKSA-N 2 0 317.477 2.718 20 0 DFADRP CCOC(=O)[C@@H]1CC[C@@H]([NH2+]CC2(C)CC[NH+](C)CC2)C[C@H]1C ZINC000359396026 279592906 /nfs/dbraw/zinc/59/29/06/279592906.db2.gz NGNLSMTZMICKDN-BZUAXINKSA-N 2 0 310.482 2.676 20 0 DFADRP C[C@H]([NH2+][C@@H]1CCC[C@H]([NH3+])C1)c1ccc(NC(=O)C2CC2)cc1 ZINC000656196921 431306623 /nfs/dbraw/zinc/30/66/23/431306623.db2.gz VWABQPJKOWUPLI-YLQAJVPDSA-N 2 0 301.434 2.956 20 0 DFADRP C[C@H]1C[C@@H](C[NH+]2CCC(CC(=O)NC3CCCC3)CC2)CC[NH2+]1 ZINC000666633524 431307379 /nfs/dbraw/zinc/30/73/79/431307379.db2.gz IEFQNTDGHLZYEE-RDJZCZTQSA-N 2 0 321.509 2.535 20 0 DFADRP CN(CCC[NH+](C)C)CCNC(=O)Nc1ccc(C2CC2)cc1 ZINC000666540616 431267196 /nfs/dbraw/zinc/26/71/96/431267196.db2.gz DTTAJLIKACPALN-UHFFFAOYSA-N 2 0 318.465 2.569 20 0 DFADRP CC[NH+](CC)[C@@H](CNC(=O)[C@H]1CCC[NH2+]CC1)c1ccsc1 ZINC000653110064 431269706 /nfs/dbraw/zinc/26/97/06/431269706.db2.gz WSAPOBSQAVQRON-HOCLYGCPSA-N 2 0 323.506 2.637 20 0 DFADRP C[C@H]1CN(C[C@H](O)C[N@H+](C)C2CC2)CCc2ccc(Cl)cc21 ZINC000649746572 431269893 /nfs/dbraw/zinc/26/98/93/431269893.db2.gz CKNOHMRPTLGDCC-SUMWQHHRSA-N 2 0 322.880 2.757 20 0 DFADRP CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)[C@H]2CC[C@@H](C3CC3)[NH2+]2)C1 ZINC000653119521 431271278 /nfs/dbraw/zinc/27/12/78/431271278.db2.gz MNCJMUZOBAOYOA-HYVNUMGLSA-N 2 0 321.509 2.534 20 0 DFADRP CC[NH+](CC)Cc1ccc(C(=O)N2CC[C@@H]([NH+](C)C)[C@H]2C)cc1 ZINC000646486030 431325309 /nfs/dbraw/zinc/32/53/09/431325309.db2.gz ZWSZPRKWORRHJE-CRAIPNDOSA-N 2 0 317.477 2.693 20 0 DFADRP CC[NH+](CC)Cc1ccc(C(=O)NCC2([NH3+])CCCCC2)o1 ZINC000646582886 431348593 /nfs/dbraw/zinc/34/85/93/431348593.db2.gz PREZUOZCBRDQHR-UHFFFAOYSA-N 2 0 307.438 2.513 20 0 DFADRP CC[C@@H]([NH2+]C1CCN(c2cc[nH+]cc2)CC1)[C@H]1CCCCO1 ZINC000656276683 431351258 /nfs/dbraw/zinc/35/12/58/431351258.db2.gz IBRSQCAUQVMWDX-QZTJIDSGSA-N 2 0 303.450 2.988 20 0 DFADRP COc1ccc(CNC[C@@H]2C[C@H](F)C[NH2+]2)cc1OCCC(C)C ZINC000666945535 431418512 /nfs/dbraw/zinc/41/85/12/431418512.db2.gz VVABANWWRVQDGH-HOTGVXAUSA-N 2 0 324.440 2.910 20 0 DFADRP Clc1ccc(-n2cc(C[NH2+][C@H]3CC34CC[NH2+]CC4)cn2)cc1 ZINC000666952110 431422775 /nfs/dbraw/zinc/42/27/75/431422775.db2.gz GINPPOVGWVHCAL-INIZCTEOSA-N 2 0 316.836 2.757 20 0 DFADRP Clc1ccc(-n2cc(C[NH2+][C@@H]3CC34CC[NH2+]CC4)cn2)cc1 ZINC000666952111 431422991 /nfs/dbraw/zinc/42/29/91/431422991.db2.gz GINPPOVGWVHCAL-MRXNPFEDSA-N 2 0 316.836 2.757 20 0 DFADRP COc1cc(C)c(C[NH2+]C[C@H]2CCC[N@H+](CC3CC3)C2)c(C)n1 ZINC000663345380 431375282 /nfs/dbraw/zinc/37/52/82/431375282.db2.gz JFXJVCPTROJHII-QGZVFWFLSA-N 2 0 317.477 2.919 20 0 DFADRP Cn1cncc1CC[NH+]1CCC(C[NH+]2CCCCCC2)CC1 ZINC000656411111 431377924 /nfs/dbraw/zinc/37/79/24/431377924.db2.gz BSYHQHTUWLKOGK-UHFFFAOYSA-N 2 0 304.482 2.551 20 0 DFADRP c1ccc(C[N@@H+]2C[C@H]3[C@@H](C2)[C@@H]2CC[C@H]3C[NH+]2[C@@H]2CCOC2)cc1 ZINC000656407940 431379215 /nfs/dbraw/zinc/37/92/15/431379215.db2.gz VCXJUPNYOCRUJT-UTBUEMAESA-N 2 0 312.457 2.618 20 0 DFADRP COc1cccc(-c2n[nH]cc2C[NH2+]C[C@]2(C)CCC[NH2+]C2)c1 ZINC000666842270 431380074 /nfs/dbraw/zinc/38/00/74/431380074.db2.gz IPTPQPULOWUVGP-GOSISDBHSA-N 2 0 314.433 2.565 20 0 DFADRP C[C@@H](CC[NH2+]CCC(=O)N(C)c1ccccc1)[NH+]1CCCCC1 ZINC000663360456 431384879 /nfs/dbraw/zinc/38/48/79/431384879.db2.gz OHXDEQRFJHKAAX-KRWDZBQOSA-N 2 0 317.477 2.894 20 0 DFADRP CCc1ccccc1NC(=O)C[C@H](C)[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000666858112 431386221 /nfs/dbraw/zinc/38/62/21/431386221.db2.gz XTBILPBLCGNHBC-GOEBONIOSA-N 2 0 303.450 2.698 20 0 DFADRP Fc1ccc(C[NH2+][C@H]2CCC[NH2+]CC2)cc1Br ZINC000666855517 431386335 /nfs/dbraw/zinc/38/63/35/431386335.db2.gz XFJYJLLQTOECHQ-NSHDSACASA-N 2 0 301.203 2.820 20 0 DFADRP Fc1ccc(CCN2CCC([NH2+][C@H]3CCC[NH2+]CC3)CC2)cc1 ZINC000666858041 431387436 /nfs/dbraw/zinc/38/74/36/431387436.db2.gz ULGUWDPALNOAOQ-SFHVURJKSA-N 2 0 319.468 2.564 20 0 DFADRP Clc1ccc([C@@H](C2CCOCC2)[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000653501798 431404732 /nfs/dbraw/zinc/40/47/32/431404732.db2.gz IPBQGXFTQGTWSQ-JZXOWHBKSA-N 2 0 320.864 2.959 20 0 DFADRP COc1cc(C)c(C[NH2+][C@@H]2CC[NH2+]C3(CCC3)C2)cc1OC ZINC000666997083 431438187 /nfs/dbraw/zinc/43/81/87/431438187.db2.gz WFYUZLAQZGDZDO-OAHLLOKOSA-N 2 0 304.434 2.777 20 0 DFADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1N[C@@H]1CC[NH2+]C2(CCC2)C1 ZINC000666995391 431438535 /nfs/dbraw/zinc/43/85/35/431438535.db2.gz MRKKDIDIJBFNRC-QRQLOZEOSA-N 2 0 313.489 2.771 20 0 DFADRP c1ccc2c(CC[NH+]3CCN(c4cc[nH+]cc4)CC3)noc2c1 ZINC000653569195 431442841 /nfs/dbraw/zinc/44/28/41/431442841.db2.gz FZJAKIRGNABJIC-UHFFFAOYSA-N 2 0 308.385 2.588 20 0 DFADRP C[NH2+]CCCC(=O)N1CCC([NH2+]CC2CCC(C)(C)CC2)CC1 ZINC000663503130 431447818 /nfs/dbraw/zinc/44/78/18/431447818.db2.gz DRUAXRJARHRQBP-UHFFFAOYSA-N 2 0 323.525 2.783 20 0 DFADRP Cc1cc(C(F)(F)F)cc(NCCN2CCOC[C@@H]2C)n1 ZINC000663547289 431461899 /nfs/dbraw/zinc/46/18/99/431461899.db2.gz NOHICTBZLNJURX-NSHDSACASA-N 2 0 303.328 2.541 20 0 DFADRP C[NH2+]CCCN(C)Cc1cn(C)nc1-c1cc2ccccc2o1 ZINC000667055270 431462090 /nfs/dbraw/zinc/46/20/90/431462090.db2.gz GHXTUOLGZYUMEO-UHFFFAOYSA-N 2 0 312.417 2.875 20 0 DFADRP CC(C)C[C@H]([NH3+])c1noc(-c2cccn2C2CC[NH2+]CC2)n1 ZINC000647129867 431469999 /nfs/dbraw/zinc/46/99/99/431469999.db2.gz GYHIECMAHXYLFY-ZDUSSCGKSA-N 2 0 303.410 2.509 20 0 DFADRP CC1(C)C[C@@H]([NH+]2CCN(c3cc[nH+]c4ccccc43)CC2)CO1 ZINC000660530771 431475670 /nfs/dbraw/zinc/47/56/70/431475670.db2.gz JZDKDUMTURNWLJ-OAHLLOKOSA-N 2 0 311.429 2.924 20 0 DFADRP CC[N@H+](C)[C@@H](C(=O)NCCC[NH+](C)CC(C)C)c1ccccc1 ZINC000650180385 431477262 /nfs/dbraw/zinc/47/72/62/431477262.db2.gz SBLGHHNMHSNPKK-GOSISDBHSA-N 2 0 319.493 2.774 20 0 DFADRP C[N@@H+]1CC[C@H](NC[C@@H]2CCC[NH+](CC3CC3)C2)[C@H]2CCC[C@H]21 ZINC000663466069 431430972 /nfs/dbraw/zinc/43/09/72/431430972.db2.gz NTMRVZFCPILBCM-ZSYWTGECSA-N 2 0 305.510 2.571 20 0 DFADRP CC1(C)[C@H]([NH2+]C[C@@H]2CCC[N@H+](CC3CC3)C2)[C@H]2CCCO[C@@H]21 ZINC000663471823 431434440 /nfs/dbraw/zinc/43/44/40/431434440.db2.gz YNWYLAJMFXREBE-MLHJIOFPSA-N 2 0 306.494 2.902 20 0 DFADRP CC1(C)[C@H]([NH2+]C[C@@H]2CCC[N@H+](CC3CC3)C2)[C@@H]2CCCO[C@@H]21 ZINC000663471822 431436462 /nfs/dbraw/zinc/43/64/62/431436462.db2.gz YNWYLAJMFXREBE-FJIDUMEYSA-N 2 0 306.494 2.902 20 0 DFADRP Cc1ccc(-c2n[nH]cc2C[NH2+][C@@H]2CC[NH2+]C3(CCC3)C2)o1 ZINC000666995060 431437175 /nfs/dbraw/zinc/43/71/75/431437175.db2.gz BNWCIBSBMIZDPP-CQSZACIVSA-N 2 0 300.406 2.742 20 0 DFADRP COc1cc(C)c(C[N@@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)c(C)n1 ZINC000656783669 431519991 /nfs/dbraw/zinc/51/99/91/431519991.db2.gz SXEMKRTXVYVIEZ-QGZVFWFLSA-N 2 0 317.477 2.919 20 0 DFADRP COc1cc(C)c(C[N@@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)c(C)n1 ZINC000656783668 431520053 /nfs/dbraw/zinc/52/00/53/431520053.db2.gz SXEMKRTXVYVIEZ-KRWDZBQOSA-N 2 0 317.477 2.919 20 0 DFADRP CCc1nn(C)c(CC)c1C[N@@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000656783797 431520109 /nfs/dbraw/zinc/52/01/09/431520109.db2.gz UMGIXEXJCXQAHY-MRXNPFEDSA-N 2 0 318.509 2.757 20 0 DFADRP COc1cc(C)nc(C[N@@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)c1 ZINC000656781999 431520450 /nfs/dbraw/zinc/52/04/50/431520450.db2.gz CBMKUXKKEFBADC-INIZCTEOSA-N 2 0 303.450 2.610 20 0 DFADRP CCOc1cccc(C[N@@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)n1 ZINC000656784567 431520879 /nfs/dbraw/zinc/52/08/79/431520879.db2.gz FMEFMVYJKPMSDY-INIZCTEOSA-N 2 0 303.450 2.692 20 0 DFADRP c1cc(C[N@@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)c2c(c1)OCCO2 ZINC000656786400 431522174 /nfs/dbraw/zinc/52/21/74/431522174.db2.gz SDJOZHLTXQMEEF-INIZCTEOSA-N 2 0 316.445 2.669 20 0 DFADRP COc1cccc(C[NH+]2CCC([C@@H]3CCC[NH2+]C3)CC2)c1OC ZINC000656786669 431522240 /nfs/dbraw/zinc/52/22/40/431522240.db2.gz WCPQYULVTYCHPT-MRXNPFEDSA-N 2 0 318.461 2.915 20 0 DFADRP Clc1ccccc1N1CC[C@@H](C[NH2+]CC2CC[NH2+]CC2)C1 ZINC000656787388 431522286 /nfs/dbraw/zinc/52/22/86/431522286.db2.gz JYEBFIDTDSMLDQ-HNNXBMFYSA-N 2 0 307.869 2.756 20 0 DFADRP COc1cc(C)c(C[NH+]2CCC([C@@H]3CCC[NH2+]C3)CC2)c(C)n1 ZINC000656785873 431522331 /nfs/dbraw/zinc/52/23/31/431522331.db2.gz KHNPQRNHQCSHHM-QGZVFWFLSA-N 2 0 317.477 2.919 20 0 DFADRP COc1cc(C[NH+]2CCC([C@H]3CCC[NH2+]C3)CC2)cc(OC)c1 ZINC000656785152 431522675 /nfs/dbraw/zinc/52/26/75/431522675.db2.gz JQMDBPQDPWDZKP-KRWDZBQOSA-N 2 0 318.461 2.915 20 0 DFADRP COc1cc(C)c(C[NH+]2CCC([C@H]3CCC[NH2+]C3)CC2)c(C)n1 ZINC000656785870 431522926 /nfs/dbraw/zinc/52/29/26/431522926.db2.gz KHNPQRNHQCSHHM-KRWDZBQOSA-N 2 0 317.477 2.919 20 0 DFADRP COc1ccc(C[NH+]2CCC([C@@H]3CCC[NH2+]C3)CC2)cc1OC ZINC000656786642 431523097 /nfs/dbraw/zinc/52/30/97/431523097.db2.gz VJWVXDAOAKOBRH-QGZVFWFLSA-N 2 0 318.461 2.915 20 0 DFADRP COc1ccc(C[N@@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)cc1O ZINC000656784763 431523269 /nfs/dbraw/zinc/52/32/69/431523269.db2.gz HAUCWYLZGMQZIN-MRXNPFEDSA-N 2 0 304.434 2.612 20 0 DFADRP c1cc2c(cc1C[NH2+]Cc1ccc3c(c1)CCCN3)C[NH2+]CC2 ZINC000656787060 431523529 /nfs/dbraw/zinc/52/35/29/431523529.db2.gz SKZCFEJAPYOWCH-UHFFFAOYSA-N 2 0 307.441 2.980 20 0 DFADRP c1cc2c(cc1C[NH+]1CCC([C@H]3CCC[NH2+]C3)CC1)C[NH2+]CC2 ZINC000656786128 431523944 /nfs/dbraw/zinc/52/39/44/431523944.db2.gz LBIMTBVZZYONPS-IBGZPJMESA-N 3 0 313.489 2.544 20 0 DFADRP CC[N@H+](C)C[C@H](O)CN1CCc2oc(-c3ccccc3)cc2C1 ZINC000653778146 431525021 /nfs/dbraw/zinc/52/50/21/431525021.db2.gz GULDEDJWMPELCG-KRWDZBQOSA-N 2 0 314.429 2.617 20 0 DFADRP CC[C@H](Cc1ccc(OC)c(OC)c1)[NH2+]CC1([NH3+])CCCC1 ZINC000656789735 431525400 /nfs/dbraw/zinc/52/54/00/431525400.db2.gz WQVZQAIVFWDGDJ-OAHLLOKOSA-N 2 0 306.450 2.886 20 0 DFADRP CC[C@H]1C[C@@H]([NH2+]C[C@@H]2C[N@H+](C)C[C@H]2c2ccccc2)CCO1 ZINC000647249142 431528457 /nfs/dbraw/zinc/52/84/57/431528457.db2.gz DRBUQBJMUPLIAL-XWSJACJDSA-N 2 0 302.462 2.879 20 0 DFADRP C[NH+](C)Cc1c2ccccc2oc1-c1nc([C@@H]2CCC[NH2+]2)no1 ZINC000647149075 431481944 /nfs/dbraw/zinc/48/19/44/431481944.db2.gz DAQHSUSLXQESBJ-ZDUSSCGKSA-N 2 0 312.373 2.969 20 0 DFADRP CC[C@@H]([NH2+]CC(=O)NC1CC[NH+](CC)CC1)C1CCCCC1 ZINC000663667572 431490639 /nfs/dbraw/zinc/49/06/39/431490639.db2.gz UWENDQGMQQPMJJ-QGZVFWFLSA-N 2 0 309.498 2.535 20 0 DFADRP Cc1ccc(-c2nn(C)cc2C[NH2+]C[C@H](C)C[NH+]2CCCC2)o1 ZINC000647172668 431492144 /nfs/dbraw/zinc/49/21/44/431492144.db2.gz DCKQLMVRCONYRS-AWEZNQCLSA-N 2 0 316.449 2.810 20 0 DFADRP O[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+]C2CCC(F)(F)CC2)CC1 ZINC000647192883 431504319 /nfs/dbraw/zinc/50/43/19/431504319.db2.gz BJNKQCHWTDMXRG-HZPDHXFCSA-N 2 0 316.436 2.922 20 0 DFADRP C[C@@H]1C[C@H]([NH2+]C2[C@@H](C)C[NH+](Cc3ccccc3)C[C@@H]2C)CO1 ZINC000647192730 431505124 /nfs/dbraw/zinc/50/51/24/431505124.db2.gz VSUGRVXDYQJPIM-CUSZFKRNSA-N 2 0 302.462 2.910 20 0 DFADRP O[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]C2CCC(F)(F)CC2)CC1 ZINC000647192884 431505607 /nfs/dbraw/zinc/50/56/07/431505607.db2.gz BJNKQCHWTDMXRG-JKSUJKDBSA-N 2 0 316.436 2.922 20 0 DFADRP CC(C)c1ccc(C[N@H+](C)CCCn2ccnc2)c(O)c(=O)c1 ZINC000663829391 431556473 /nfs/dbraw/zinc/55/64/73/431556473.db2.gz CWAFEAGSNUILQM-UHFFFAOYSA-N 2 0 315.417 2.594 20 0 DFADRP CC(C)C[C@H]([NH2+]CCCC[N@@H+]1CCC[C@@H]1CO)c1ccncc1 ZINC000647288452 431538369 /nfs/dbraw/zinc/53/83/69/431538369.db2.gz DYWGLIDTXBVWNP-MOPGFXCFSA-N 2 0 319.493 2.995 20 0 DFADRP C[N@@H+]1CC[C@]2(C1)CCCN([C@@H]1CC[NH+](Cc3ccccc3)C1)C2 ZINC000660664169 431539819 /nfs/dbraw/zinc/53/98/19/431539819.db2.gz QIGDAGXZVINDMJ-UXHICEINSA-N 2 0 313.489 2.679 20 0 DFADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@H]2CSc3ccccc3O2)[C@@H](C)C1 ZINC000647314136 431546719 /nfs/dbraw/zinc/54/67/19/431546719.db2.gz YZAFPDATLCXJOG-KKUMJFAQSA-N 2 0 306.475 2.860 20 0 DFADRP C[C@@H]([NH2+]C[C@H]1CSc2ccccc2O1)C1CC[NH+](C)CC1 ZINC000647314077 431547078 /nfs/dbraw/zinc/54/70/78/431547078.db2.gz MPVZWLGMNRUGNR-HIFRSBDPSA-N 2 0 306.475 2.860 20 0 DFADRP Cc1cc(CO)cc(N[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)n1 ZINC000663806468 431548532 /nfs/dbraw/zinc/54/85/32/431548532.db2.gz ZTSGLIOXMMTRDR-KDOFPFPSSA-N 2 0 311.429 2.815 20 0 DFADRP CC(C)[C@H](C(=O)NC[C@H](C)[NH+]1CCC(C)CC1)[NH+]1CCCCC1 ZINC000354783300 280174358 /nfs/dbraw/zinc/17/43/58/280174358.db2.gz FWTDBABPBUPPFE-ZWKOTPCHSA-N 2 0 323.525 2.734 20 0 DFADRP CC[C@@H]([NH2+][C@H](C)CN1CC[NH+](C)CC1)c1cc(F)ccc1F ZINC000154954114 280196258 /nfs/dbraw/zinc/19/62/58/280196258.db2.gz GRXRLOQUALFXSA-CXAGYDPISA-N 2 0 311.420 2.641 20 0 DFADRP COCCOc1ccc(C[N@@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)cc1 ZINC000647480201 431601976 /nfs/dbraw/zinc/60/19/76/431601976.db2.gz GSRGHAZNQSMKGG-MJGOQNOKSA-N 2 0 318.461 2.676 20 0 DFADRP c1cn(-c2csc(C[N@H+](C3CC3)C3CC[NH2+]CC3)c2)cn1 ZINC000647482535 431602504 /nfs/dbraw/zinc/60/25/04/431602504.db2.gz NAVLVYKRYSJNNY-UHFFFAOYSA-N 2 0 302.447 2.650 20 0 DFADRP COCCOc1ccc(C[N@@H+]2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)cc1 ZINC000647480200 431602806 /nfs/dbraw/zinc/60/28/06/431602806.db2.gz GSRGHAZNQSMKGG-IEBWSBKVSA-N 2 0 318.461 2.676 20 0 DFADRP c1cn(-c2csc(C[N@@H+]3CCC[C@@H]([C@@H]4CCC[NH2+]4)C3)c2)cn1 ZINC000647479421 431603376 /nfs/dbraw/zinc/60/33/76/431603376.db2.gz GMNBIJRAWOEXMQ-PBHICJAKSA-N 2 0 316.474 2.898 20 0 DFADRP COc1ccc(C2CC[NH+](C[C@@H]3CC[NH2+][C@H](C)C3)CC2)nc1 ZINC000650704386 431652475 /nfs/dbraw/zinc/65/24/75/431652475.db2.gz WHZQIZBCQUDQLJ-HUUCEWRRSA-N 2 0 303.450 2.658 20 0 DFADRP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCC[N@H+](C/C=C\c3ccccc3)C2)C1 ZINC000650706571 431652658 /nfs/dbraw/zinc/65/26/58/431652658.db2.gz NPGSOTCCIONIQN-IBTIYMBQSA-N 2 0 300.446 2.918 20 0 DFADRP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCC[N@H+](Cc3ccc(F)cc3F)C2)C1 ZINC000650705680 431652959 /nfs/dbraw/zinc/65/29/59/431652959.db2.gz QPWDKBOEFOXBEQ-FRFSOERESA-N 2 0 310.388 2.683 20 0 DFADRP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCC[N@H+](Cc3ccc(F)cc3F)C2)C1 ZINC000650705683 431653331 /nfs/dbraw/zinc/65/33/31/431653331.db2.gz QPWDKBOEFOXBEQ-YSVLISHTSA-N 2 0 310.388 2.683 20 0 DFADRP COc1ccc(C)cc1C[N@@H+]1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000650706474 431654490 /nfs/dbraw/zinc/65/44/90/431654490.db2.gz LQHKEOLCBNBRAF-VDZJLULYSA-N 2 0 318.461 2.722 20 0 DFADRP CCOc1ccc(C[N@@H+]2CCC[C@H]([C@H]3C[C@@H]([NH3+])CCO3)C2)cc1 ZINC000650705529 431654954 /nfs/dbraw/zinc/65/49/54/431654954.db2.gz KORYBVZDMRMLSA-JENIJYKNSA-N 2 0 318.461 2.804 20 0 DFADRP [NH3+]C[C@]12CCC[C@H]1C[N@H+](Cc1c[nH]nc1-c1cccs1)C2 ZINC000650708607 431655695 /nfs/dbraw/zinc/65/56/95/431655695.db2.gz GYLFZCSEDDOWLJ-BBRMVZONSA-N 2 0 302.447 2.699 20 0 DFADRP C[C@H]1CCC[N@H+](Cc2cccc3c2OCCCO3)[C@@H]1CC[NH3+] ZINC000650711027 431655718 /nfs/dbraw/zinc/65/57/18/431655718.db2.gz GOYKEANZEWAESZ-GOEBONIOSA-N 2 0 304.434 2.797 20 0 DFADRP COCCOc1cccc(C[N@@H+]2CCC[C@@H](C)[C@@H]2CC[NH3+])c1 ZINC000650710879 431657305 /nfs/dbraw/zinc/65/73/05/431657305.db2.gz BLTTWCBVEFMPBR-QAPCUYQASA-N 2 0 306.450 2.661 20 0 DFADRP Cc1nn(-c2ccc(F)cc2)c(C)c1C[NH2+]CCC1(C[NH3+])CC1 ZINC000650711696 431659158 /nfs/dbraw/zinc/65/91/58/431659158.db2.gz AGBNPMPEFJPTRT-UHFFFAOYSA-N 2 0 316.424 2.847 20 0 DFADRP Cc1ccc(NC(=O)C[C@@H](C)[NH2+]CCC2(C[NH3+])CC2)c(C)c1 ZINC000650713171 431659213 /nfs/dbraw/zinc/65/92/13/431659213.db2.gz IAXHBIVXWUOWEU-OAHLLOKOSA-N 2 0 303.450 2.739 20 0 DFADRP [NH3+]CC1(CC[NH2+]Cc2c[nH]nc2-c2c(F)cccc2F)CC1 ZINC000650712375 431659376 /nfs/dbraw/zinc/65/93/76/431659376.db2.gz BQTCCOSWWFQXGT-UHFFFAOYSA-N 2 0 306.360 2.574 20 0 DFADRP C[C@@H](CC[NH2+][C@]1(C)CCO[C@@H]1C)CC[NH2+][C@]1(C)CCO[C@H]1C ZINC000664115995 431659517 /nfs/dbraw/zinc/65/95/17/431659517.db2.gz FRSSNQFKISWOQX-CWQOZTLDSA-N 2 0 312.498 2.717 20 0 DFADRP CC[C@@H]1C[N@H+](Cc2ccc(-c3cnn(C)c3)s2)CC[C@@H]1[NH3+] ZINC000647497850 431607116 /nfs/dbraw/zinc/60/71/16/431607116.db2.gz YECWHQLCMVGTCN-DOMZBBRYSA-N 2 0 304.463 2.708 20 0 DFADRP CC[C@@H]1C[N@H+](Cc2c[nH]nc2-c2cccc(OC)c2)CC[C@H]1[NH3+] ZINC000647498532 431608603 /nfs/dbraw/zinc/60/86/03/431608603.db2.gz JTYFYWPEAHTBPX-CXAGYDPISA-N 2 0 314.433 2.645 20 0 DFADRP C[N@H+](Cc1ccccc1)CC(C)(C)CN1CCC(C)([NH3+])CC1 ZINC000647531159 431616972 /nfs/dbraw/zinc/61/69/72/431616972.db2.gz DPGSSVQCCQQWGH-UHFFFAOYSA-N 2 0 303.494 2.958 20 0 DFADRP c1ccc2c(c1)OCC[C@@H]2C[NH+]1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000647542086 431621307 /nfs/dbraw/zinc/62/13/07/431621307.db2.gz UFTKGQJPLQDOJB-DLBZAZTESA-N 2 0 300.446 2.874 20 0 DFADRP COc1cc(C[N@@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)cc(OC)c1 ZINC000647544274 431624313 /nfs/dbraw/zinc/62/43/13/431624313.db2.gz YWOOGFMGRBLVND-SJORKVTESA-N 2 0 318.461 2.915 20 0 DFADRP c1cc(C[N@@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)c2c(c1)OCCO2 ZINC000647544168 431624390 /nfs/dbraw/zinc/62/43/90/431624390.db2.gz XSBYUNKTSWARFZ-JKSUJKDBSA-N 2 0 316.445 2.669 20 0 DFADRP COc1ccc(C[N@@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)cc1O ZINC000647543877 431624991 /nfs/dbraw/zinc/62/49/91/431624991.db2.gz TVUJASFXAAUPAE-CVEARBPZSA-N 2 0 304.434 2.612 20 0 DFADRP COc1cc(C)c(C[N@@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)c(C)n1 ZINC000647544195 431625261 /nfs/dbraw/zinc/62/52/61/431625261.db2.gz YBBFBJBZNIDAQR-IAGOWNOFSA-N 2 0 317.477 2.919 20 0 DFADRP Fc1cccn2cc(C[N@@H+]3CCC[C@H]([C@H]4CCC[NH2+]C4)C3)nc12 ZINC000647543750 431625366 /nfs/dbraw/zinc/62/53/66/431625366.db2.gz RPKKHWNNXBSEJZ-GJZGRUSLSA-N 2 0 316.424 2.685 20 0 DFADRP Cc1nc2ccccn2c1C[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647543196 431625455 /nfs/dbraw/zinc/62/54/55/431625455.db2.gz JATUUPYLVSZQMW-SJORKVTESA-N 2 0 312.461 2.854 20 0 DFADRP COc1ccc(OC)c(C[N@@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)c1 ZINC000647543307 431626039 /nfs/dbraw/zinc/62/60/39/431626039.db2.gz KXFWDWZRHBMNQK-HZPDHXFCSA-N 2 0 318.461 2.915 20 0 DFADRP NC[C@H]([NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)c1ccc2ccccc2c1 ZINC000647547008 431627318 /nfs/dbraw/zinc/62/73/18/431627318.db2.gz KMHCSFTXONTOEG-WCIQWLHISA-N 2 0 309.457 2.817 20 0 DFADRP Cc1cccc2nc(CC[NH2+][C@@H]3CCC[C@@H]3[C@H]3CCC[NH2+]3)cn21 ZINC000647554268 431630580 /nfs/dbraw/zinc/63/05/80/431630580.db2.gz VOTNTKJLOSGXSU-RCCFBDPRSA-N 2 0 312.461 2.696 20 0 DFADRP CC[NH+]1CCN([C@@H](C)C[NH2+]C2CCC(C3CCC3)CC2)CC1 ZINC000657309827 431666842 /nfs/dbraw/zinc/66/68/42/431666842.db2.gz IPZHYDCEDLHKLC-IVMQYODDSA-N 2 0 307.526 2.961 20 0 DFADRP COc1ccc(C[N@@H+]2CCCC[C@@H]2[C@@H]2C[C@@H]([NH3+])CCO2)c(F)c1 ZINC000650724344 431668174 /nfs/dbraw/zinc/66/81/74/431668174.db2.gz DESWPMPNYCEKAU-QGTPRVQTSA-N 2 0 322.424 2.695 20 0 DFADRP C[C@H](CNCc1c(C(F)(F)F)cnn1C)C[NH+]1CCCCC1 ZINC000657317106 431674401 /nfs/dbraw/zinc/67/44/01/431674401.db2.gz QFWPAEJFKUTWDH-GFCCVEGCSA-N 2 0 318.387 2.651 20 0 DFADRP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCC1(C[NH3+])CC1 ZINC000650744377 431674907 /nfs/dbraw/zinc/67/49/07/431674907.db2.gz MQUWYSHFEIFFAF-WMZOPIPTSA-N 3 0 301.478 2.616 20 0 DFADRP Cc1ccccc1[C@@H]1C[C@H]1[NH2+][C@@H]1CCOC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000650741901 431675179 /nfs/dbraw/zinc/67/51/79/431675179.db2.gz NUENTJLUKFAFJW-ZWJWXYIHSA-N 2 0 300.446 2.598 20 0 DFADRP C[NH2+]Cc1ccccc1C[NH2+][C@H]1CCC[C@@H](c2ccnn2C)C1 ZINC000650757424 431681682 /nfs/dbraw/zinc/68/16/82/431681682.db2.gz WXHOPMSWOPXVDC-QAPCUYQASA-N 2 0 312.461 2.956 20 0 DFADRP C[C@H](CCCC[NH3+])[NH2+]CCc1ccc2c(c1)OC(F)(F)O2 ZINC000650760785 431682173 /nfs/dbraw/zinc/68/21/73/431682173.db2.gz MALBTFGOFGMNPL-LLVKDONJSA-N 2 0 300.349 2.658 20 0 DFADRP CC(C)[N@@H+]1CC[C@@H](C[NH2+]Cc2ccc(O[C@H]3CCOC3)cc2)C1 ZINC000657336248 431683568 /nfs/dbraw/zinc/68/35/68/431683568.db2.gz ZGZGZGPVFUMTTP-HKUYNNGSSA-N 2 0 318.461 2.674 20 0 DFADRP C[C@@H]([NH2+]CCC1CC[NH2+]CC1)c1ccc(OCC[NH+](C)C)cc1 ZINC000650763534 431683770 /nfs/dbraw/zinc/68/37/70/431683770.db2.gz CVZOIMMPJIQXIG-MRXNPFEDSA-N 3 0 319.493 2.667 20 0 DFADRP C[C@H](COc1ccc(F)cc1F)[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000647786569 431684060 /nfs/dbraw/zinc/68/40/60/431684060.db2.gz RZZSISCLIJIHJB-UKTARXLSSA-N 2 0 310.388 2.710 20 0 DFADRP CCN(CC[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)c1cccc(C)c1 ZINC000647786262 431684783 /nfs/dbraw/zinc/68/47/83/431684783.db2.gz LSLCNEFJMHRNIJ-FGTMMUONSA-N 2 0 301.478 2.799 20 0 DFADRP CC(C)(C)c1csc(CC[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)n1 ZINC000647786437 431684939 /nfs/dbraw/zinc/68/49/39/431684939.db2.gz PADVXBKRHMYAJZ-MGPQQGTHSA-N 2 0 307.507 2.961 20 0 DFADRP COc1cc(NC(C)=O)ccc1[C@H](C)[NH2+]CCC1CC[NH2+]CC1 ZINC000650762977 431685010 /nfs/dbraw/zinc/68/50/10/431685010.db2.gz OIBOXARCLJXLLC-ZDUSSCGKSA-N 2 0 319.449 2.694 20 0 DFADRP c1ccc2c(c1)CCS[C@@H]2C[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000647788248 431685748 /nfs/dbraw/zinc/68/57/48/431685748.db2.gz FRRTXSBYCKZYEI-BVIKNXMNSA-N 2 0 302.487 2.995 20 0 DFADRP CC(C)(CO)[C@H](C[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1)c1ccccc1 ZINC000647791797 431686701 /nfs/dbraw/zinc/68/67/01/431686701.db2.gz MZXNSFRXLYPGNA-INDMIFKZSA-N 2 0 316.489 2.766 20 0 DFADRP Fc1ccc(OCCCC[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000647788709 431686958 /nfs/dbraw/zinc/68/69/58/431686958.db2.gz PAMNKLIKUCRRBG-ZMSDIMECSA-N 2 0 306.425 2.962 20 0 DFADRP C(Cc1nc2c(s1)CCCC2)[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000647791686 431687135 /nfs/dbraw/zinc/68/71/35/431687135.db2.gz KHIMDSIZXAWSRO-MELADBBJSA-N 2 0 305.491 2.542 20 0 DFADRP Fc1cc(F)c(F)c(C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)c1F ZINC000647789590 431687169 /nfs/dbraw/zinc/68/71/69/431687169.db2.gz HQZQDPLYZIWHDZ-LPEHRKFASA-N 2 0 302.315 2.721 20 0 DFADRP c1cn(CCc2ccccc2)c(C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)n1 ZINC000647788713 431687186 /nfs/dbraw/zinc/68/71/86/431687186.db2.gz PDHARZNCYMYXAT-IPMKNSEASA-N 2 0 324.472 2.604 20 0 DFADRP Fc1cccc(OC(F)F)c1C[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000647789318 431687736 /nfs/dbraw/zinc/68/77/36/431687736.db2.gz APFZPFKLDVLQOY-GRYCIOLGSA-N 2 0 314.351 2.905 20 0 DFADRP c1ccc(C2(C[NH2+][C@@H]3CC[C@H]4C[NH2+]C[C@@H]4C3)CCOCC2)cc1 ZINC000647788762 431688244 /nfs/dbraw/zinc/68/82/44/431688244.db2.gz QDSZIUOKIOMZFM-JENIJYKNSA-N 2 0 314.473 2.713 20 0 DFADRP c1ccc([C@H]([NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)[C@H]2CCOC2)cc1 ZINC000647792927 431688987 /nfs/dbraw/zinc/68/89/87/431688987.db2.gz FNVJUSVQMRPSAD-ZRSRNVLSSA-N 2 0 300.446 2.742 20 0 DFADRP CC(C)(C)c1nc(CC[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)cs1 ZINC000647793859 431689147 /nfs/dbraw/zinc/68/91/47/431689147.db2.gz KBDJVQSAYDMWOZ-MGPQQGTHSA-N 2 0 307.507 2.961 20 0 DFADRP COc1cc(C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)c2ccccc2n1 ZINC000647793199 431689177 /nfs/dbraw/zinc/68/91/77/431689177.db2.gz PHKBHAKDPNJGDE-SQWLQELKSA-N 2 0 311.429 2.721 20 0 DFADRP c1cnc(OC2CCCC2)c(C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)c1 ZINC000647793320 431689268 /nfs/dbraw/zinc/68/92/68/431689268.db2.gz TXZDXZBDBJAVMP-DJIMGWMZSA-N 2 0 315.461 2.881 20 0 DFADRP C[C@H]([NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000647793591 431689360 /nfs/dbraw/zinc/68/93/60/431689360.db2.gz BCAZZKCTDXBIPA-OBVSXPTNSA-N 3 0 305.510 2.617 20 0 DFADRP c1cc(C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)cc(OC2CCCC2)n1 ZINC000647793466 431689451 /nfs/dbraw/zinc/68/94/51/431689451.db2.gz ZCJHCLOPLKBOCY-YESZJQIVSA-N 2 0 315.461 2.881 20 0 DFADRP c1ccc([C@@H]2C[C@H]([NH2+][C@@H]3CC[C@@H]4C[NH2+]C[C@H]4C3)CCO2)cc1 ZINC000647795719 431689709 /nfs/dbraw/zinc/68/97/09/431689709.db2.gz USNUIXIPLBGLBC-NNIGNNQHSA-N 2 0 300.446 2.884 20 0 DFADRP C[C@H]([NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1)[C@@H](c1ccccc1)N(C)C ZINC000647795232 431689733 /nfs/dbraw/zinc/68/97/33/431689733.db2.gz LHAJHEJLYDCFTI-IJCBKZNRSA-N 2 0 301.478 2.656 20 0 DFADRP Cn1cc(C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)c(-c2ccccc2)n1 ZINC000647794101 431690018 /nfs/dbraw/zinc/69/00/18/431690018.db2.gz RDLMQYATIGJJBD-XYJFISCASA-N 2 0 310.445 2.565 20 0 DFADRP COc1ccc(OC)c(CCC[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000647794406 431690392 /nfs/dbraw/zinc/69/03/92/431690392.db2.gz ZQQQHTFKGQVUCQ-IXDOHACOSA-N 2 0 318.461 2.614 20 0 DFADRP C[C@H]([NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1)c1nccn1-c1ccccc1 ZINC000647796781 431690967 /nfs/dbraw/zinc/69/09/67/431690967.db2.gz NSMIJWSJWGUZAX-LUKYLMHMSA-N 2 0 310.445 2.911 20 0 DFADRP Fc1cc(OCC[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)ccc1Cl ZINC000647798884 431691076 /nfs/dbraw/zinc/69/10/76/431691076.db2.gz YTCIHNFDMWSILA-YNEHKIRRSA-N 2 0 312.816 2.836 20 0 DFADRP CN(C)C[C@H]([NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1)c1ccc(Cl)cc1 ZINC000647797099 431691790 /nfs/dbraw/zinc/69/17/90/431691790.db2.gz ZARVWKNQHGFDLD-AHCXZYCDSA-N 2 0 321.896 2.920 20 0 DFADRP C[C@H]([NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1)[C@@H]1OCCc2sccc21 ZINC000647798876 431691971 /nfs/dbraw/zinc/69/19/71/431691971.db2.gz YLXPOIZHYDTAAP-JQIDMEAISA-N 2 0 306.475 2.728 20 0 DFADRP COC[C@H](C)Oc1ccc(C[NH2+]CC2CC[NH+](C)CC2)cc1 ZINC000657348893 431692825 /nfs/dbraw/zinc/69/28/25/431692825.db2.gz LFDFFXBOGDZREY-HNNXBMFYSA-N 2 0 306.450 2.532 20 0 DFADRP C[C@H]([NH2+]CC[C@H]1CSc2ccccc2O1)[C@H]1CCC[NH2+]C1 ZINC000647801619 431694582 /nfs/dbraw/zinc/69/45/82/431694582.db2.gz ZRZWYHUJDWDORE-KKUMJFAQSA-N 2 0 306.475 2.908 20 0 DFADRP c1cc(C[NH2+][C@H]2CCN(c3ccccc3)C2)n(-c2cc[nH+]cc2)n1 ZINC000657352788 431696815 /nfs/dbraw/zinc/69/68/15/431696815.db2.gz BQSYAMWQLFKRJA-INIZCTEOSA-N 2 0 319.412 2.636 20 0 DFADRP CC[C@H]1C[C@@H]([NH2+]Cc2ccc(OCC[NH+]3CCCC3)cc2)CO1 ZINC000657358480 431698289 /nfs/dbraw/zinc/69/82/89/431698289.db2.gz WYEFDIRWHONPCT-MSOLQXFVSA-N 2 0 318.461 2.818 20 0 DFADRP COC[C@@H](C)Oc1ccc(C[NH2+]C[C@H]2CCC[N@H+](C)C2)cc1 ZINC000657357829 431698894 /nfs/dbraw/zinc/69/88/94/431698894.db2.gz FKSAXEAMZWSIHR-NVXWUHKLSA-N 2 0 306.450 2.532 20 0 DFADRP COC[C@H](C)Oc1ccc(C[NH2+]C[C@@H]2CCC[N@H+](C)C2)cc1 ZINC000657357830 431699119 /nfs/dbraw/zinc/69/91/19/431699119.db2.gz FKSAXEAMZWSIHR-RDJZCZTQSA-N 2 0 306.450 2.532 20 0 DFADRP CC[C@H]1CCC[C@@H]([NH2+]C2CCN(CCC(=O)N(C)C)CC2)CC1 ZINC000657359712 431699671 /nfs/dbraw/zinc/69/96/71/431699671.db2.gz XOQCGUSYIIUVNB-DLBZAZTESA-N 2 0 323.525 2.878 20 0 DFADRP CC[C@H]1CCCC[N@@H+]1CCNCc1ccnn1-c1cc[nH+]cc1 ZINC000657359048 431700165 /nfs/dbraw/zinc/70/01/65/431700165.db2.gz QDZKCRWQDPELSE-INIZCTEOSA-N 2 0 313.449 2.621 20 0 DFADRP CC[C@H](COC)[NH2+]Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000657370574 431705171 /nfs/dbraw/zinc/70/51/71/431705171.db2.gz IYPNGUHFJWPKFM-QGZVFWFLSA-N 2 0 319.493 2.732 20 0 DFADRP Cc1ccc2cc(C[NH2+]C[C@H](C)CN3CCOCC3)[nH]c2c1 ZINC000657369944 431705859 /nfs/dbraw/zinc/70/58/59/431705859.db2.gz JLGCDXVRWTUITM-HNNXBMFYSA-N 2 0 301.434 2.534 20 0 DFADRP CCO[C@@H]1C[C@@H]([NH2+]Cc2ccnn2-c2cc[nH+]cc2)C12CCC2 ZINC000657375061 431707767 /nfs/dbraw/zinc/70/77/67/431707767.db2.gz CJHPHFVYKRHVRQ-IAGOWNOFSA-N 2 0 312.417 2.705 20 0 DFADRP C[C@@H]([NH3+])[C@H]1CN(CCCOc2cccc(C(C)(C)C)c2)CCO1 ZINC000647863608 431712107 /nfs/dbraw/zinc/71/21/07/431712107.db2.gz GFDRQTHORHKCNG-CRAIPNDOSA-N 2 0 320.477 2.801 20 0 DFADRP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+][C@H]1CNc2ccccc2C1 ZINC000650715617 431662826 /nfs/dbraw/zinc/66/28/26/431662826.db2.gz FWJJAXCOPKCFPE-QGZVFWFLSA-N 2 0 319.412 2.702 20 0 DFADRP COc1cc(C)c(C[NH2+]Cc2ccc(C[NH3+])cc2F)cc1OC ZINC000650717676 431663118 /nfs/dbraw/zinc/66/31/18/431663118.db2.gz IYYAFKSMXAXBEP-UHFFFAOYSA-N 2 0 318.392 2.900 20 0 DFADRP CN(Cc1ccn(-c2cccc(F)c2)n1)[C@H]1CCC[NH2+]CC1 ZINC000647912821 431725218 /nfs/dbraw/zinc/72/52/18/431725218.db2.gz LPDUWEUSLUDZLY-INIZCTEOSA-N 2 0 302.397 2.585 20 0 DFADRP C[C@]1(C[NH+]2CCC(OCC[NH+]3CCCC3)CC2)CCCS1 ZINC000647911241 431725711 /nfs/dbraw/zinc/72/57/11/431725711.db2.gz YAQKMASAFQHMEY-QGZVFWFLSA-N 2 0 312.523 2.849 20 0 DFADRP CCN(Cc1ccn(-c2cccc(F)c2)n1)[C@H]1CCC[NH2+]CC1 ZINC000647913342 431725947 /nfs/dbraw/zinc/72/59/47/431725947.db2.gz ZMWWCVNGAWRSSI-KRWDZBQOSA-N 2 0 316.424 2.975 20 0 DFADRP CO[C@](C)(C[N@@H+]1CC[C@@H](CN(C)Cc2cccnc2)C1)C1CC1 ZINC000647912757 431726610 /nfs/dbraw/zinc/72/66/10/431726610.db2.gz YWKZBMPTBZNJDJ-PKOBYXMFSA-N 2 0 317.477 2.650 20 0 DFADRP CC[C@@H]1C[N@H+](CCOc2ccc(Cl)c(F)c2)CC[C@H]1[NH3+] ZINC000647934954 431737190 /nfs/dbraw/zinc/73/71/90/431737190.db2.gz VLMRTMDBRPJQAR-IAQYHMDHSA-N 2 0 300.805 2.917 20 0 DFADRP Cc1csc([C@@H](C)C[NH2+]Cc2ccnn2-c2cc[nH+]cc2)n1 ZINC000657432895 431747092 /nfs/dbraw/zinc/74/70/92/431747092.db2.gz LQQUHMLWOGIZPV-LBPRGKRZSA-N 2 0 313.430 2.926 20 0 DFADRP C[C@@]1(C[NH2+]Cc2ccnn2-c2cc[nH+]cc2)CCO[C@@H]1C1CC1 ZINC000657438333 431753300 /nfs/dbraw/zinc/75/33/00/431753300.db2.gz OZWKRNZSJZQJFX-MSOLQXFVSA-N 2 0 312.417 2.562 20 0 DFADRP COc1ccc(CC[N@@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)cc1 ZINC000647977083 431761312 /nfs/dbraw/zinc/76/13/12/431761312.db2.gz XRIVJYXRWZXZDS-ZWKOTPCHSA-N 2 0 302.462 2.949 20 0 DFADRP COc1ccc(CC[N@@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)cc1 ZINC000647977082 431762098 /nfs/dbraw/zinc/76/20/98/431762098.db2.gz XRIVJYXRWZXZDS-ROUUACIJSA-N 2 0 302.462 2.949 20 0 DFADRP CC(=O)Nc1cccc(C[N@@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)c1 ZINC000647978265 431762281 /nfs/dbraw/zinc/76/22/81/431762281.db2.gz PBRLNOJYPOGPRK-QZTJIDSGSA-N 2 0 315.461 2.857 20 0 DFADRP CC(C)N(C(=O)[C@@H](C)[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1)C(C)C ZINC000647975851 431762781 /nfs/dbraw/zinc/76/27/81/431762781.db2.gz GUIDHGNLNSQCNP-SQNIBIBYSA-N 2 0 323.525 2.732 20 0 DFADRP CC(C)CCc1noc(C[N@@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)n1 ZINC000647977802 431763014 /nfs/dbraw/zinc/76/30/14/431763014.db2.gz HSWCMHZTMBSXCW-CVEARBPZSA-N 2 0 320.481 2.870 20 0 DFADRP CO[C@]1(C)C[C@@H]([NH2+]Cc2ccnn2-c2cc[nH+]cc2)C1(C)C ZINC000657383870 431716902 /nfs/dbraw/zinc/71/69/02/431716902.db2.gz LQKHMNGOPGQOAN-NVXWUHKLSA-N 2 0 300.406 2.561 20 0 DFADRP CCC(CC)(CCO)C[NH2+]Cc1ccnn1-c1cc[nH+]cc1 ZINC000657385347 431716965 /nfs/dbraw/zinc/71/69/65/431716965.db2.gz YEUFKYDUSCPTRE-UHFFFAOYSA-N 2 0 302.422 2.546 20 0 DFADRP CC[C@H]1c2ccccc2CC[N@H+]1C[C@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC000647885651 431718006 /nfs/dbraw/zinc/71/80/06/431718006.db2.gz AWZJWFNQFKMUQT-ACRUOGEOSA-N 2 0 324.468 2.927 20 0 DFADRP [NH3+][C@@H](Cc1ccccc1)[C@@H](O)C[NH+]1CCC(C2CCCC2)CC1 ZINC000647890124 431718552 /nfs/dbraw/zinc/71/85/52/431718552.db2.gz QXYUYDVUASXDEE-PMACEKPBSA-N 2 0 316.489 2.820 20 0 DFADRP c1ccc(OCCOCC[N@@H+]2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)cc1 ZINC000647901492 431722867 /nfs/dbraw/zinc/72/28/67/431722867.db2.gz PTBLMONZFCHGPW-IEBWSBKVSA-N 2 0 318.461 2.546 20 0 DFADRP CC(C)[C@@H]1C[C@@H]([NH2+]CC2CC[NH+](C3CCOCC3)CC2)CCO1 ZINC000657534631 431800637 /nfs/dbraw/zinc/80/06/37/431800637.db2.gz BMCPFEXXDNVLQU-HKUYNNGSSA-N 2 0 324.509 2.671 20 0 DFADRP C[C@@H]([NH2+]CC1CC[NH+](C2CCOCC2)CC1)c1cncc(F)c1 ZINC000657537371 431800701 /nfs/dbraw/zinc/80/07/01/431800701.db2.gz IWHPIFXODMDCPA-CQSZACIVSA-N 2 0 321.440 2.762 20 0 DFADRP C[C@@H](CN(C)CCC[NH+](C)C)[NH2+]Cc1cccc2[nH]ccc21 ZINC000657573979 431815643 /nfs/dbraw/zinc/81/56/43/431815643.db2.gz RRZAOEGYSXGUAF-HNNXBMFYSA-N 2 0 302.466 2.530 20 0 DFADRP Cn1cc(C[N@H+](C)CCCC2CC[NH2+]CC2)c(C(F)(F)F)n1 ZINC000647990882 431766377 /nfs/dbraw/zinc/76/63/77/431766377.db2.gz SBVATXOCPFALPZ-UHFFFAOYSA-N 2 0 318.387 2.651 20 0 DFADRP c1cc(C[NH2+]C[C@H]2CCOC3(CCC3)C2)n(-c2cc[nH+]cc2)n1 ZINC000657479760 431774160 /nfs/dbraw/zinc/77/41/60/431774160.db2.gz NNXOMFATBCPYCG-HNNXBMFYSA-N 2 0 312.417 2.706 20 0 DFADRP Cc1ccccc1-n1cc(C[N@H+](C)CC2CC[NH+](C)CC2)cn1 ZINC000648006557 431775571 /nfs/dbraw/zinc/77/55/71/431775571.db2.gz LGKBRZVKHUQNGB-UHFFFAOYSA-N 2 0 312.461 2.954 20 0 DFADRP C[C@@H]1CCC[C@H]([NH2+]Cc2ccc(C[N@@H+]3CC[C@H](O)C3)cc2)C1 ZINC000657596774 431820784 /nfs/dbraw/zinc/82/07/84/431820784.db2.gz YRVKJPXTMHLJCT-MNEFBYGVSA-N 2 0 302.462 2.922 20 0 DFADRP Cc1ccc(C[NH2+]Cc2ccc(C[N@@H+]3CC[C@H](O)C3)cc2)s1 ZINC000657594951 431820921 /nfs/dbraw/zinc/82/09/21/431820921.db2.gz LPDHGGUQCMJXEM-KRWDZBQOSA-N 2 0 316.470 2.913 20 0 DFADRP C[C@@H]1CCC[C@H]([NH2+]Cc2ccc(C[N@@H+]3CC[C@@H](O)C3)cc2)C1 ZINC000657596772 431821021 /nfs/dbraw/zinc/82/10/21/431821021.db2.gz YRVKJPXTMHLJCT-AYOQOUSVSA-N 2 0 302.462 2.922 20 0 DFADRP C[N@H+]1C[C@H]2[C@@H](CCN2Cc2cccc(C[NH+]3CCCCC3)c2)C1 ZINC000664570338 431821160 /nfs/dbraw/zinc/82/11/60/431821160.db2.gz FLMDMUWPACBUJI-PMACEKPBSA-N 2 0 313.489 2.808 20 0 DFADRP Cc1ccc(C[NH2+]Cc2ccc(C[N@@H+]3CC[C@H](O)C3)cc2)cc1 ZINC000657596742 431821257 /nfs/dbraw/zinc/82/12/57/431821257.db2.gz YJYMOWUHBYGWJB-FQEVSTJZSA-N 2 0 310.441 2.851 20 0 DFADRP O[C@@H]1CC[N@H+](Cc2ccc(C[NH2+]C3CCC(F)(F)CC3)cc2)C1 ZINC000657596118 431821498 /nfs/dbraw/zinc/82/14/98/431821498.db2.gz LFEXEGPVKKRVGP-QGZVFWFLSA-N 2 0 324.415 2.921 20 0 DFADRP C[C@@H]1CCC[C@@H]([NH2+]Cc2ccc(C[N@@H+]3CC[C@@H](O)C3)cc2)C1 ZINC000657596770 431821594 /nfs/dbraw/zinc/82/15/94/431821594.db2.gz YRVKJPXTMHLJCT-ATZDWAIDSA-N 2 0 302.462 2.922 20 0 DFADRP [NH3+]C[C@H]1CCC[C@@H]1C(=O)Nc1cccc(CC[NH+]2CCCC2)c1 ZINC000648154163 431826439 /nfs/dbraw/zinc/82/64/39/431826439.db2.gz CPMSNMAKTWXWSK-AEFFLSMTSA-N 2 0 315.461 2.638 20 0 DFADRP C[NH+](C)CC1CCC(NC(=O)[C@@H]([NH3+])c2cccc(Cl)c2)CC1 ZINC000648151984 431826565 /nfs/dbraw/zinc/82/65/65/431826565.db2.gz DEKRJUITGFGRNZ-MOQPWLNLSA-N 2 0 323.868 2.576 20 0 DFADRP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+]CCCOC(C)(C)C ZINC000657639073 431832114 /nfs/dbraw/zinc/83/21/14/431832114.db2.gz ULZIELLRDZCITP-UHFFFAOYSA-N 2 0 302.422 2.871 20 0 DFADRP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+]C[C@H]1CCC[C@H](C)O1 ZINC000657662548 431833905 /nfs/dbraw/zinc/83/39/05/431833905.db2.gz AOYVCACFROEBFM-SUMWQHHRSA-N 2 0 300.406 2.623 20 0 DFADRP Cc1ccc2c(C[N@@H+]3C[C@@H]4CCC[C@H]([NH3+])[C@@H]4C3)cc(=O)oc2c1 ZINC000261910893 281046483 /nfs/dbraw/zinc/04/64/83/281046483.db2.gz QFLJIFQMOPOSLP-XKQJLSEDSA-N 2 0 312.413 2.661 20 0 DFADRP Cc1ccc2c(c1)[C@@H]([NH2+]CCCN1CC[NH+](C)CC1)CCC2 ZINC000166027537 281091900 /nfs/dbraw/zinc/09/19/00/281091900.db2.gz CBURLPAMFIYMPK-IBGZPJMESA-N 2 0 301.478 2.600 20 0 DFADRP Cc1cccc2c1CC[C@H]2[NH2+]CCCN1CCC[N@@H+](C)CC1 ZINC000128266690 281272528 /nfs/dbraw/zinc/27/25/28/281272528.db2.gz UIKPIPCDUUZFKP-LJQANCHMSA-N 2 0 301.478 2.600 20 0 DFADRP CCC(C)(C)[NH2+][C@H](C)C(=O)NC[C@@H](C)[N@H+](C)Cc1ccccc1 ZINC000356103467 282024210 /nfs/dbraw/zinc/02/42/10/282024210.db2.gz VEDZIPYRAAMDFB-HZPDHXFCSA-N 2 0 319.493 2.790 20 0 DFADRP CC1CCC([NH+]2CCN(CC[NH+]3CCC(C)CC3)CC2)CC1 ZINC000153949001 289066797 /nfs/dbraw/zinc/06/67/97/289066797.db2.gz ISFZDIUOADOVLT-UHFFFAOYSA-N 2 0 307.526 2.915 20 0 DFADRP CN(CC(C)(C)C[NH3+])C(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C ZINC000415781844 289136917 /nfs/dbraw/zinc/13/69/17/289136917.db2.gz DPOQIHJQBYGOKQ-MRXNPFEDSA-N 2 0 318.465 2.684 20 0 DFADRP C[C@H](C(=O)N(CCC[NH3+])CC1CCCC1)[C@@H]([NH3+])c1ccccc1 ZINC000357352113 289257536 /nfs/dbraw/zinc/25/75/36/289257536.db2.gz LILQGWQVGGAZPU-MAUKXSAKSA-N 2 0 317.477 2.690 20 0 DFADRP C[C@H]([NH2+]CCCC[NH+](C)C)c1cccc(N2CCOCC2)c1 ZINC000360852827 289950357 /nfs/dbraw/zinc/95/03/57/289950357.db2.gz IMXFYNOPIULOJX-INIZCTEOSA-N 2 0 305.466 2.516 20 0 DFADRP C[C@H](N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)[C@@H]1CCC[NH+](C2CCC2)C1 ZINC000358476721 290019614 /nfs/dbraw/zinc/01/96/14/290019614.db2.gz YCFZICIRGCMSCO-DODZYUBVSA-N 2 0 305.510 2.856 20 0 DFADRP C[N@@H+]1CC[C@H]([NH2+][C@@H]2CCO[C@]3(CCSC3)C2)[C@H]2CCC[C@@H]21 ZINC000353628832 290224570 /nfs/dbraw/zinc/22/45/70/290224570.db2.gz CBGYTFFZRSELGP-UHDSXZAQSA-N 2 0 310.507 2.504 20 0 DFADRP COC[C@@H](CCC[NH3+])[NH2+][C@H](C)c1ccccc1OC(F)F ZINC000234751634 292805699 /nfs/dbraw/zinc/80/56/99/292805699.db2.gz CWNJWYJGTADBBK-VXGBXAGGSA-N 2 0 302.365 2.693 20 0 DFADRP C[C@H]([NH3+])Cc1nc(-c2cccc(C[NH+]3CCCCC3)c2)no1 ZINC000435727526 296971014 /nfs/dbraw/zinc/97/10/14/296971014.db2.gz YUUVOOXQAXJHEO-ZDUSSCGKSA-N 2 0 300.406 2.612 20 0 DFADRP COC[C@H](CCC[NH3+])[NH2+][C@@H](C)c1cccc(OC(F)F)c1 ZINC000234803207 293097158 /nfs/dbraw/zinc/09/71/58/293097158.db2.gz BFVDGIHAESBAJN-AAEUAGOBSA-N 2 0 302.365 2.693 20 0 DFADRP C[C@@H](C[NH2+]Cc1c[nH]nc1-c1ccsc1)C[NH+]1CCCC1 ZINC000436276105 296995822 /nfs/dbraw/zinc/99/58/22/296995822.db2.gz RDXUPAREMLIYTQ-ZDUSSCGKSA-N 2 0 304.463 2.960 20 0 DFADRP C[C@@H](O)C[N@H+](C)C1CCN(c2cc[nH+]c3cc(F)ccc32)CC1 ZINC000436434727 297003173 /nfs/dbraw/zinc/00/31/73/297003173.db2.gz RQLZNQUCTJPERL-CYBMUJFWSA-N 2 0 317.408 2.655 20 0 DFADRP C[N@@H+](Cc1c[nH]nc1-c1ccsc1)CC1CC[NH+](C)CC1 ZINC000438122004 297081430 /nfs/dbraw/zinc/08/14/30/297081430.db2.gz ZLVLBSXLHWTSSL-UHFFFAOYSA-N 2 0 304.463 2.912 20 0 DFADRP COc1ccc([C@H](C)[NH2+]CCCC[NH+]2CCN(C)CC2)c(F)c1 ZINC000154348063 295297886 /nfs/dbraw/zinc/29/78/86/295297886.db2.gz SQWOUWXNUMCVDI-HNNXBMFYSA-N 2 0 323.456 2.513 20 0 DFADRP C[C@H]1Cc2ccc(F)cc2[C@H]1[NH2+]CCCC[NH+]1CCN(C)CC1 ZINC000154446015 295300835 /nfs/dbraw/zinc/30/08/35/295300835.db2.gz DHAHCQGPYROVAY-KXBFYZLASA-N 2 0 319.468 2.676 20 0 DFADRP CCCC[C@H]([NH3+])C(=O)Nc1ccc(CC[NH+]2CCCC2)cc1 ZINC000154544535 295302566 /nfs/dbraw/zinc/30/25/66/295302566.db2.gz SVEGUUIQGZJRGT-KRWDZBQOSA-N 2 0 303.450 2.781 20 0 DFADRP C[C@@H]1C[C@H](C)C[N@@H+](CC2(C[NH+]3C[C@@H](C)C[C@H](C)C3)COC2)C1 ZINC000157330123 295347132 /nfs/dbraw/zinc/34/71/32/295347132.db2.gz PFQFHBYITXJHGN-XLAORIBOSA-N 2 0 308.510 2.959 20 0 DFADRP C[C@@H]([NH2+]C[C@@H]1CCC[N@H+](C)C1)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000158128972 295358834 /nfs/dbraw/zinc/35/88/34/295358834.db2.gz UNGWTGMXTXNCBG-KGLIPLIRSA-N 2 0 315.461 2.909 20 0 DFADRP C[C@H]([NH2+]C[C@@H]1CCC[N@H+](C)C1)c1cccc(N2CCOC2=O)c1 ZINC000158167481 295359156 /nfs/dbraw/zinc/35/91/56/295359156.db2.gz ATFCVZGTJKZFTK-GJZGRUSLSA-N 2 0 317.433 2.636 20 0 DFADRP CCCCNC(=O)C[NH+]1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000158988153 295370469 /nfs/dbraw/zinc/37/04/69/295370469.db2.gz ZEJIYIJYESBIGS-QGZVFWFLSA-N 2 0 323.525 2.879 20 0 DFADRP C[NH+]1CCC(N2CC[C@H]([NH2+][C@H]3[C@@H]4CCCC[C@@H]4C3(C)C)C2)CC1 ZINC000363749428 295440126 /nfs/dbraw/zinc/44/01/26/295440126.db2.gz KYLBOIBQJILXNE-NQYYFHDYSA-N 2 0 319.537 2.959 20 0 DFADRP CC1(C)CC([NH2+]CC2(O)CC[NH+](Cc3ccccc3)CC2)C1 ZINC000397591632 295487876 /nfs/dbraw/zinc/48/78/76/295487876.db2.gz MSBWPBLLPOLPOK-UHFFFAOYSA-N 2 0 302.462 2.792 20 0 DFADRP C[C@@H](CC[NH2+][C@H](C)[C@@H]1CCCO1)CC[NH2+][C@@H](C)[C@H]1CCCO1 ZINC000411535542 295545208 /nfs/dbraw/zinc/54/52/08/295545208.db2.gz PRHDDBHXUITZCI-PECIQYQJSA-N 2 0 312.498 2.717 20 0 DFADRP C[C@@H]1C[N@@H+](CCC2CC[NH+](CC3(O)CCCC3)CC2)C[C@H](C)O1 ZINC000438575945 297099640 /nfs/dbraw/zinc/09/96/40/297099640.db2.gz DNNSEVIRVJKWDV-CALCHBBNSA-N 2 0 324.509 2.503 20 0 DFADRP C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC000439831014 297139688 /nfs/dbraw/zinc/13/96/88/297139688.db2.gz BKTRQRJBHQVFQI-NUJGCVRESA-N 2 0 321.509 2.773 20 0 DFADRP C[C@@H]1CCCC[N@@H+]1CCCNC(=O)[C@@H]1CCC[NH+]1C1CCCC1 ZINC000440145686 297145575 /nfs/dbraw/zinc/14/55/75/297145575.db2.gz AYWISINBBCXJHN-AEFFLSMTSA-N 2 0 321.509 2.774 20 0 DFADRP CC[C@H]([NH2+]CCN1CC[N@H+](C)C(C)(C)C1)c1ccc(F)cc1 ZINC000442873018 297208813 /nfs/dbraw/zinc/20/88/13/297208813.db2.gz KLLAJLSQHWOBTI-KRWDZBQOSA-N 2 0 307.457 2.892 20 0 DFADRP CCC[C@H]([NH2+]CCN1CC[N@H+](C)C(C)(C)C1)c1ccccn1 ZINC000442876250 297209160 /nfs/dbraw/zinc/20/91/60/297209160.db2.gz PKBPMXAHVVNBEW-INIZCTEOSA-N 2 0 304.482 2.538 20 0 DFADRP Cc1nn2c(C[N@@H+]3CCC[C@H](CC[NH3+])C3)c(C(C)C)nc2s1 ZINC000442922581 297211297 /nfs/dbraw/zinc/21/12/97/297211297.db2.gz OWZFSWQKXOAOAY-CYBMUJFWSA-N 2 0 321.494 2.783 20 0 DFADRP [NH3+]CC[C@@H]1CCC[N@H+](Cc2ccc(Oc3cnccn3)cc2)C1 ZINC000442921425 297211312 /nfs/dbraw/zinc/21/13/12/297211312.db2.gz NEBSTAXTEJUKST-HNNXBMFYSA-N 2 0 312.417 2.830 20 0 DFADRP CCN(CC)C(=O)[C@H](c1ccccc1)[N@@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000443058237 297214030 /nfs/dbraw/zinc/21/40/30/297214030.db2.gz MRMCBMOEUCSWDQ-WMZOPIPTSA-N 2 0 317.477 2.657 20 0 DFADRP C[C@H](C(=O)Nc1cccc(Cl)c1)[N@@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000443057630 297214051 /nfs/dbraw/zinc/21/40/51/297214051.db2.gz HLAYBSNISUZPRH-OLZOCXBDSA-N 2 0 309.841 2.728 20 0 DFADRP CCn1c2cccc(F)c2nc1C[N@@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000443061671 297214234 /nfs/dbraw/zinc/21/42/34/297214234.db2.gz SBLGDKKKFCBEPU-ZDUSSCGKSA-N 2 0 304.413 2.756 20 0 DFADRP CSc1cccc(NC(=O)[C@@H](C)[N@@H+]2CCC[C@H](CC[NH3+])C2)c1 ZINC000443063102 297214288 /nfs/dbraw/zinc/21/42/88/297214288.db2.gz VVALHKWDBHDXMJ-ZIAGYGMSSA-N 2 0 321.490 2.796 20 0 DFADRP C[C@@H](NC(=O)C[N@@H+]1CCC[C@H](CC[NH3+])C1)c1ccc(Cl)cc1 ZINC000443063436 297214351 /nfs/dbraw/zinc/21/43/51/297214351.db2.gz WOWROYZZXFWDGU-ZIAGYGMSSA-N 2 0 323.868 2.578 20 0 DFADRP C[N@@H+]1CCN(CC[NH2+][C@H]2CS[C@@H](C(C)(C)C)C2)CC1(C)C ZINC000443068373 297214951 /nfs/dbraw/zinc/21/49/51/297214951.db2.gz KNBBBOUUEPJPRL-HUUCEWRRSA-N 2 0 313.555 2.522 20 0 DFADRP [NH3+]CC[C@H]1CCC[N@@H+]([C@H]2CCN(c3cccc(Cl)c3)C2=O)C1 ZINC000443075140 297215253 /nfs/dbraw/zinc/21/52/53/297215253.db2.gz QYPCDGYSZJWZHV-CJNGLKHVSA-N 2 0 321.852 2.506 20 0 DFADRP CC[N@@H+]1CC[C@@H]([NH+](C)CCOc2cccc(OC)c2)C[C@H]1C ZINC000443623711 297223316 /nfs/dbraw/zinc/22/33/16/297223316.db2.gz QRWZFTZUGJRAPY-HZPDHXFCSA-N 2 0 306.450 2.879 20 0 DFADRP C[N@@H+]1CCN(CCC[NH+]2CCCCC2)[C@H](c2ccccc2)C1 ZINC000444615409 297241493 /nfs/dbraw/zinc/24/14/93/297241493.db2.gz ANWAMAQCYZILCN-IBGZPJMESA-N 2 0 301.478 2.851 20 0 DFADRP c1nc2c(n1[C@H]1CC[N@@H+](CCC[NH+]3CCCCC3)C1)CCCC2 ZINC000444630485 297242426 /nfs/dbraw/zinc/24/24/26/297242426.db2.gz OSAHLIHIPQLWDR-KRWDZBQOSA-N 3 0 316.493 2.885 20 0 DFADRP CCOC(=O)[C@@H]1CC[C@H]([NH2+]CC2CC[NH+](C3CC3)CC2)C[C@@H]1C ZINC000446891190 297289651 /nfs/dbraw/zinc/28/96/51/297289651.db2.gz VIGZOGZJMVRQOO-QILLFSRXSA-N 2 0 322.493 2.818 20 0 DFADRP Cc1cc([C@@H](C)[NH2+][C@@H](CC(C)C)C(=O)NCC[NH+](C)C)c(C)o1 ZINC000447595258 297309995 /nfs/dbraw/zinc/30/99/95/297309995.db2.gz MGAVDKCUEWDFRC-PBHICJAKSA-N 2 0 323.481 2.640 20 0 DFADRP C[NH+](C)CCOCC[NH2+][C@@H]1CCCOc2c(Cl)cccc21 ZINC000447599284 297310304 /nfs/dbraw/zinc/31/03/04/297310304.db2.gz JVIYJBCJQWVIIN-OAHLLOKOSA-N 2 0 312.841 2.722 20 0 DFADRP COc1cc(C[NH+]2CCC(OCC[NH+](C)C)CC2)ccc1C ZINC000447734617 297314663 /nfs/dbraw/zinc/31/46/63/297314663.db2.gz XPSNWCLVPXBNDT-UHFFFAOYSA-N 2 0 306.450 2.546 20 0 DFADRP CC[C@H](C(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1)[NH+](CC)CC ZINC000448521102 297340756 /nfs/dbraw/zinc/34/07/56/297340756.db2.gz PVKWFECYARSMGL-KBAYOESNSA-N 2 0 321.509 2.582 20 0 DFADRP CC[NH+]1CCN([C@H]2CC[N@H+](Cc3cccc4ccoc43)C2)CC1 ZINC000449023572 297392801 /nfs/dbraw/zinc/39/28/01/297392801.db2.gz SBOPYWQOQOOUFU-SFHVURJKSA-N 2 0 313.445 2.645 20 0 DFADRP COCC[N@H+](C)CCCC1CC[NH+](Cc2ccncc2F)CC1 ZINC000449037987 297395920 /nfs/dbraw/zinc/39/59/20/297395920.db2.gz QPQJCAOQDSHLTM-UHFFFAOYSA-N 2 0 323.456 2.791 20 0 DFADRP CC[NH+](CC)CCO[C@@H]1CC[N@H+](Cc2ccc(C)cc2OC)C1 ZINC000449038992 297396033 /nfs/dbraw/zinc/39/60/33/297396033.db2.gz YGZXUMCJSOMMJX-GOSISDBHSA-N 2 0 320.477 2.936 20 0 DFADRP C[C@@H](Cc1ccccc1)[NH+]1CCC([NH2+]C2CCC(O)CC2)CC1 ZINC000449061806 297398812 /nfs/dbraw/zinc/39/88/12/297398812.db2.gz HKDTXKHYWXFRKB-VQSBYGRUSA-N 2 0 316.489 2.975 20 0 DFADRP C[C@H](C[NH2+][C@@H](C)Cc1coc2ccccc12)N1CC[NH+](C)CC1 ZINC000449138089 297411245 /nfs/dbraw/zinc/41/12/45/297411245.db2.gz ZUCBYKPVCDNLTC-JKSUJKDBSA-N 2 0 315.461 2.589 20 0 DFADRP [NH3+][C@H]1CCCC[C@H]1CC(=O)NC1CC[NH+](CC2CCCC2)CC1 ZINC000449333165 297447651 /nfs/dbraw/zinc/44/76/51/297447651.db2.gz AKFOCAIPPSHXAB-WMZOPIPTSA-N 2 0 321.509 2.665 20 0 DFADRP CC[C@@H](C)[C@H](C[NH2+]Cc1cn(-c2cc[nH+]cc2)nc1C)OC ZINC000449403098 297459502 /nfs/dbraw/zinc/45/95/02/297459502.db2.gz OHOGNURWQROTGP-DYVFJYSZSA-N 2 0 302.422 2.726 20 0 DFADRP CC[NH+]1CCN(CC(C)(C)[NH2+]C/C=C\c2ccc(F)cc2)CC1 ZINC000449744491 297524914 /nfs/dbraw/zinc/52/49/14/297524914.db2.gz HNCVIPHATIHQBG-WAYWQWQTSA-N 2 0 319.468 2.845 20 0 DFADRP CC[NH+]1CCN(CC(C)(C)[NH2+]C[C@@H]2CCCCC2(F)F)CC1 ZINC000451983326 297908890 /nfs/dbraw/zinc/90/88/90/297908890.db2.gz KPWLDOMMHGIAMM-HNNXBMFYSA-N 2 0 317.468 2.818 20 0 DFADRP CC[NH+]1CCN(CC(C)(C)[NH2+]CCc2ccccc2Cl)CC1 ZINC000451985081 297909283 /nfs/dbraw/zinc/90/92/83/297909283.db2.gz MBHNIXBWUIWGPI-UHFFFAOYSA-N 2 0 323.912 2.888 20 0 DFADRP C[NH+]1CCN(c2ncccc2C[NH2+][C@H](C2CC2)C2CCC2)CC1 ZINC000453069031 298059098 /nfs/dbraw/zinc/05/90/98/298059098.db2.gz DAFGVWGSQBCLPS-SFHVURJKSA-N 2 0 314.477 2.502 20 0 DFADRP C[C@H](CO)C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000453087900 298060851 /nfs/dbraw/zinc/06/08/51/298060851.db2.gz JRGDJVVIACUYCE-JCHJZTRSSA-N 2 0 302.462 2.648 20 0 DFADRP COC1([C@@H](C)[NH2+]Cc2ccc(F)c(C[NH+](C)C)c2)CCOCC1 ZINC000453133564 298065520 /nfs/dbraw/zinc/06/55/20/298065520.db2.gz WYCQAJHHKGLZEI-CQSZACIVSA-N 2 0 324.440 2.561 20 0 DFADRP O[C@@H]1CCC[C@H]1[NH+]1CCC([NH2+][C@H](C2CC2)C2CCCC2)CC1 ZINC000453173881 298068736 /nfs/dbraw/zinc/06/87/36/298068736.db2.gz ZEWVIXGAPIAWCU-QRVBRYPASA-N 2 0 306.494 2.923 20 0 DFADRP C[NH+](C)CCOc1cc(C[NH2+][C@@H](C2CC2)C2CCC2)ccn1 ZINC000453185567 298069639 /nfs/dbraw/zinc/06/96/39/298069639.db2.gz VNIBPHRUJVMXHC-GOSISDBHSA-N 2 0 303.450 2.690 20 0 DFADRP CC[C@@H](CO)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000453198341 298070806 /nfs/dbraw/zinc/07/08/06/298070806.db2.gz NYFIBCWOHZIYLZ-WJFTUGDTSA-N 2 0 302.462 2.790 20 0 DFADRP OCC1(CC[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)CC1 ZINC000453333313 298083812 /nfs/dbraw/zinc/08/38/12/298083812.db2.gz GNVPBAMNNQLMSB-LDLYASANSA-N 2 0 314.473 2.934 20 0 DFADRP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCC1(CO)CC1 ZINC000453366991 298086968 /nfs/dbraw/zinc/08/69/68/298086968.db2.gz WOFRMKCVDUXFBF-FUHWJXTLSA-N 2 0 302.462 2.649 20 0 DFADRP C[N@H+](CCCC[NH2+]C1CCN(c2ccccn2)CC1)C1CC1 ZINC000453391637 298089537 /nfs/dbraw/zinc/08/95/37/298089537.db2.gz DXWIAFOVBFYTIM-UHFFFAOYSA-N 2 0 302.466 2.514 20 0 DFADRP Cn1nccc1[C@@H]1CCC[C@H]([NH2+]CCCC[N@H+](C)C2CC2)C1 ZINC000453413962 298091930 /nfs/dbraw/zinc/09/19/30/298091930.db2.gz WVUAFFITQBXPCE-CVEARBPZSA-N 2 0 304.482 2.910 20 0 DFADRP C[C@H](C(=O)NCCC[NH+]1C[C@H](C)C[C@H](C)C1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000357040785 298153095 /nfs/dbraw/zinc/15/30/95/298153095.db2.gz OVNAZHATKHMDJL-MDMSPXHWSA-N 2 0 323.525 2.732 20 0 DFADRP CCC[C@@H](C(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C)[NH+](C)C ZINC000456283364 298487038 /nfs/dbraw/zinc/48/70/38/298487038.db2.gz SQJVQNSMPIFZOB-IRXDYDNUSA-N 2 0 303.450 2.904 20 0 DFADRP CCN(CCC[NH+](CC)CC)C(=O)NCc1cnc(C)cc1C ZINC000459089995 299044864 /nfs/dbraw/zinc/04/48/64/299044864.db2.gz ZEXQHYSRFRUPJV-UHFFFAOYSA-N 2 0 320.481 2.962 20 0 DFADRP C[NH+](C)C1CC([NH2+][C@@H]2CCC[C@H](NC(=O)OC(C)(C)C)C2)C1 ZINC000496128067 300019264 /nfs/dbraw/zinc/01/92/64/300019264.db2.gz YSTKUNANRZQHJB-DNDYEEKYSA-N 2 0 311.470 2.505 20 0 DFADRP CC[C@H]([NH2+][C@@H](C)CCC[NH3+])[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000496179429 300026397 /nfs/dbraw/zinc/02/63/97/300026397.db2.gz QZUXLYKIYRDNAR-SOUVJXGZSA-N 2 0 313.486 2.882 20 0 DFADRP CC(C)(C[NH2+]CCCNC(=O)OC(C)(C)C)C[NH+]1CCCC1 ZINC000496699293 300100646 /nfs/dbraw/zinc/10/06/46/300100646.db2.gz IBUZTIBDXPLRTI-UHFFFAOYSA-N 2 0 313.486 2.613 20 0 DFADRP COC(=O)N1CCC([C@H](C)[NH2+][C@H]2C[C@@H]([NH3+])c3ccccc32)CC1 ZINC000496745283 300107684 /nfs/dbraw/zinc/10/76/84/300107684.db2.gz KXJQNIFJBXKZMN-VUCTXSBTSA-N 2 0 317.433 2.588 20 0 DFADRP C[C@H]([NH2+][C@H]1CCCC[C@H]1C[NH3+])c1cccc(N2CCOC2=O)c1 ZINC000496972114 300140452 /nfs/dbraw/zinc/14/04/52/300140452.db2.gz BFSXHUBLADMNDM-QRTARXTBSA-N 2 0 317.433 2.811 20 0 DFADRP C[NH+](C)CCCC1CC[NH+](CC(=O)NC2CCCCCC2)CC1 ZINC000501770858 300213779 /nfs/dbraw/zinc/21/37/79/300213779.db2.gz QMQKRYFDHRSFIX-UHFFFAOYSA-N 2 0 323.525 2.879 20 0 DFADRP COCC[NH2+][C@@H]1CCCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000514092361 300259443 /nfs/dbraw/zinc/25/94/43/300259443.db2.gz FAVHWXNCUDXGAS-GBESFXJTSA-N 2 0 302.462 2.913 20 0 DFADRP C[C@@H](CC[NH2+]C[C@@H](O)Cc1ccc(F)cc1)[NH+]1CCCCC1 ZINC000515054992 300287310 /nfs/dbraw/zinc/28/73/10/300287310.db2.gz DXCRPDNQMRMWTQ-YJBOKZPZSA-N 2 0 308.441 2.583 20 0 DFADRP C[NH+]1CCN(C[C@H]([NH2+]C2CC3(CCC3)C2)c2ccccc2)CC1 ZINC000515340833 300301326 /nfs/dbraw/zinc/30/13/26/300301326.db2.gz MZKLCPCVOXFXAT-IBGZPJMESA-N 2 0 313.489 2.897 20 0 DFADRP c1nc([C@H]2CCCO2)sc1CN1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000515845840 300322806 /nfs/dbraw/zinc/32/28/06/300322806.db2.gz UVLWPGMKOVABMA-ZBFHGGJFSA-N 2 0 307.463 2.570 20 0 DFADRP C[C@H]([NH2+][C@@H]1CCN(C)[C@@H]1c1ccc(F)c(F)c1)[C@@H]1CCC[NH2+]C1 ZINC000516046272 300327347 /nfs/dbraw/zinc/32/73/47/300327347.db2.gz UGCDOCZPONNXAD-WPPQDWHVSA-N 2 0 323.431 2.688 20 0 DFADRP C[C@H]([NH2+]C[C@@H](c1c(F)cccc1F)N(C)C)[C@H]1CCC[NH2+]C1 ZINC000516273768 300337907 /nfs/dbraw/zinc/33/79/07/300337907.db2.gz QJIQFSQBIDSOMD-XEZPLFJOSA-N 2 0 311.420 2.545 20 0 DFADRP CCC[NH+]1CCC(C[NH2+]C[C@H](O)[C@H](C)c2ccccc2)CC1 ZINC000516922883 300369301 /nfs/dbraw/zinc/36/93/01/300369301.db2.gz UJKNEVSXOYJNHU-APWZRJJASA-N 2 0 304.478 2.863 20 0 DFADRP Cc1cc(C[NH2+]CCc2ccc(OCC[NH+](C)C)cc2)ccn1 ZINC000527655295 300667573 /nfs/dbraw/zinc/66/75/73/300667573.db2.gz AJVMAOPUXSHCCM-UHFFFAOYSA-N 2 0 313.445 2.663 20 0 DFADRP C[C@H]([NH2+]CCN1CC[NH+](Cc2ccccc2)CC1)[C@H]1CC12CC2 ZINC000527849428 300700876 /nfs/dbraw/zinc/70/08/76/300700876.db2.gz SZZJCIAAZMNSCI-PKOBYXMFSA-N 2 0 313.489 2.582 20 0 DFADRP C(c1nc(C2CCCC2)no1)C1CC[NH+](C2CC[NH2+]CC2)CC1 ZINC000530206771 301028792 /nfs/dbraw/zinc/02/87/92/301028792.db2.gz BLNYMTMDYIKSDA-UHFFFAOYSA-N 2 0 318.465 2.734 20 0 DFADRP C[C@@H]1[C@@H](N[C@@H]2CC[NH2+]C23CCC3)CCC[N@@H+]1Cc1ccccc1 ZINC000530216016 301029664 /nfs/dbraw/zinc/02/96/64/301029664.db2.gz LSFJFBSFSYNOBF-NZSAHSFTSA-N 2 0 313.489 2.914 20 0 DFADRP C[C@@H](C[C@H]1CCCCC[NH2+]1)[NH2+]Cc1ccc2cn(C)nc2c1 ZINC000530219747 301030875 /nfs/dbraw/zinc/03/08/75/301030875.db2.gz QEKRKRBRDSWKEG-WMLDXEAASA-N 2 0 300.450 2.974 20 0 DFADRP CCc1ccc(C[NH+]2CCC(CO[C@@H]3CC[NH2+]C3)CC2)cc1 ZINC000530238839 301033263 /nfs/dbraw/zinc/03/32/63/301033263.db2.gz DAPMSPZBGGFCHO-LJQANCHMSA-N 2 0 302.462 2.840 20 0 DFADRP CC(C)C[N@H+](CCc1ccc(F)cc1)C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000530238336 301033338 /nfs/dbraw/zinc/03/33/38/301033338.db2.gz PFICOAJVJJNHAY-SFHVURJKSA-N 2 0 320.452 2.847 20 0 DFADRP C[C@H](C[NH+]1CCC(CO[C@@H]2CC[NH2+]C2)CC1)c1ccccc1 ZINC000530249795 301033977 /nfs/dbraw/zinc/03/39/77/301033977.db2.gz YVZOHXQANBZJLD-VQIMIIECSA-N 2 0 302.462 2.881 20 0 DFADRP C[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+]CCc2cncn2C)CC1 ZINC000530513254 301052954 /nfs/dbraw/zinc/05/29/54/301052954.db2.gz XNWBXZBJWVWOLJ-CRAIPNDOSA-N 2 0 304.482 2.595 20 0 DFADRP C[C@H]1C[NH+](CCCC[NH2+]Cc2ccc3[nH]cnc3c2)C[C@H](C)O1 ZINC000530722860 301065191 /nfs/dbraw/zinc/06/51/91/301065191.db2.gz DAPMPMAEHLFJSY-GJZGRUSLSA-N 2 0 316.449 2.542 20 0 DFADRP c1ccc2c(N[C@@H]3CCCC[C@H]3[NH+]3CCOCC3)cc[nH+]c2c1 ZINC000531656905 301102912 /nfs/dbraw/zinc/10/29/12/301102912.db2.gz WFSMYZYLIVKTTK-RTBURBONSA-N 2 0 311.429 2.712 20 0 DFADRP C[C@@H]([NH2+]CCCC[NH+]1CCN(C)CC1)c1ccc(F)c(F)c1 ZINC000531685686 301104189 /nfs/dbraw/zinc/10/41/89/301104189.db2.gz NADSFYCXQYPWHS-CQSZACIVSA-N 2 0 311.420 2.643 20 0 DFADRP Cc1cn2c(n1)[C@H](C[NH2+]C1CC[NH+](CC3CC3)CC1)CCC2 ZINC000531988331 301123959 /nfs/dbraw/zinc/12/39/59/301123959.db2.gz GMPHVPIHASJETE-INIZCTEOSA-N 2 0 302.466 2.533 20 0 DFADRP CC[C@@H]1CCC[C@@H]1[NH2+]Cc1ccc(N2CC[NH+](CC)CC2)nc1 ZINC000532192985 301135769 /nfs/dbraw/zinc/13/57/69/301135769.db2.gz BVHGTWUDWKOGID-MSOLQXFVSA-N 2 0 316.493 2.892 20 0 DFADRP CC[C@@H]1CCC[C@H]1[NH2+]Cc1cccnc1N1CC[NH+](C)CC1 ZINC000532210386 301136877 /nfs/dbraw/zinc/13/68/77/301136877.db2.gz DCWWEEQDDWUKCO-NVXWUHKLSA-N 2 0 302.466 2.502 20 0 DFADRP C[C@@H](N[C@H](CN1CC[NH+](C)CC1)c1ccccc1)c1ccco1 ZINC000532481187 301154955 /nfs/dbraw/zinc/15/49/55/301154955.db2.gz TWUSZIRJKLWMKZ-SJLPKXTDSA-N 2 0 313.445 2.919 20 0 DFADRP Cc1ccccc1NC(=O)C[C@H](C)[NH2+][C@@H]1CCN(C)[C@H](C)C1 ZINC000532525262 301158182 /nfs/dbraw/zinc/15/81/82/301158182.db2.gz ITXQEDKHYWRWLT-ARFHVFGLSA-N 2 0 303.450 2.784 20 0 DFADRP OC1(C(F)(F)F)CCC([NH2+]CCCNc2ccccn2)CC1 ZINC000532522019 301158356 /nfs/dbraw/zinc/15/83/56/301158356.db2.gz MCZUWKHOZGMPMD-UHFFFAOYSA-N 2 0 317.355 2.709 20 0 DFADRP CCCCc1noc([C@@H](C)N2CC[C@@H](c3nccn3C)C2)n1 ZINC000533865891 301214942 /nfs/dbraw/zinc/21/49/42/301214942.db2.gz GBPIVNDPXUCDND-CHWSQXEVSA-N 2 0 303.410 2.696 20 0 DFADRP COc1cc2c(cc1C[NH+]1CCC(C[NH+](C)C)CC1)O[C@@H](C)C2 ZINC000534332008 301228823 /nfs/dbraw/zinc/22/88/23/301228823.db2.gz ZNKZPDJLAWUMIE-AWEZNQCLSA-N 2 0 318.461 2.792 20 0 DFADRP C[C@H](C[NH2+][C@@H](C)c1ccc(Cl)c(F)c1)N1CC[NH+](C)CC1 ZINC000535066161 301246664 /nfs/dbraw/zinc/24/66/64/301246664.db2.gz DYFIPQPFPMITIU-OLZOCXBDSA-N 2 0 313.848 2.766 20 0 DFADRP CCC(C)(C)[NH2+][C@H](C)C(=O)NCC1([NH+](C)C)CCCCCC1 ZINC000543444331 301430404 /nfs/dbraw/zinc/43/04/04/301430404.db2.gz WEPNVBVAUNLSRJ-OAHLLOKOSA-N 2 0 311.514 2.924 20 0 DFADRP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+][C@@H]1CCOC2(CCC2)C1 ZINC000544182260 301445073 /nfs/dbraw/zinc/44/50/73/301445073.db2.gz YKIFPSHXVARBIF-MRXNPFEDSA-N 2 0 312.417 2.767 20 0 DFADRP CC(C)C[NH+]1CCC(NC(=O)Nc2ccc3c(c2)C[NH2+]C3)CC1 ZINC000562772519 302000636 /nfs/dbraw/zinc/00/06/36/302000636.db2.gz FCDOGUNSEZZFNP-UHFFFAOYSA-N 2 0 316.449 2.532 20 0 DFADRP COc1cc2c(cc1C[NH2+]CCCC[N@H+](C)C1CC1)O[C@H](C)C2 ZINC000562803604 302004030 /nfs/dbraw/zinc/00/40/30/302004030.db2.gz PTDNKPGRJUITBM-CQSZACIVSA-N 2 0 318.461 2.983 20 0 DFADRP C[C@H]1C[C@@H](NC(=O)NCC[NH2+]C2CCCCCC2)c2nccn21 ZINC000562818191 302005856 /nfs/dbraw/zinc/00/58/56/302005856.db2.gz IQUQRAGLBFKYQY-DZGCQCFKSA-N 2 0 319.453 2.501 20 0 DFADRP COc1ccc(OC2CC[NH+](CC[C@H]3CCC[NH2+]C3)CC2)cc1 ZINC000562834770 302007357 /nfs/dbraw/zinc/00/73/57/302007357.db2.gz UGCBFNRUZAFKSZ-MRXNPFEDSA-N 2 0 318.461 2.928 20 0 DFADRP COc1ccc([C@@H](C[NH3+])C[NH2+][C@H]2CCCC23CCOCC3)cc1 ZINC000562838160 302007860 /nfs/dbraw/zinc/00/78/60/302007860.db2.gz ASHAVDSSXZPFLW-WMZOPIPTSA-N 2 0 318.461 2.676 20 0 DFADRP [NH3+]CC1CCC([NH2+]CC2(CO)CC(c3ccccc3)C2)CC1 ZINC000562956654 302017574 /nfs/dbraw/zinc/01/75/74/302017574.db2.gz LPSHFWQRZBZWTC-UHFFFAOYSA-N 2 0 302.462 2.650 20 0 DFADRP C[C@H]([NH2+]CCc1nc(C(F)(F)F)cs1)[C@@H]1CCC[NH2+]C1 ZINC000562958960 302017990 /nfs/dbraw/zinc/01/79/90/302017990.db2.gz GDISFHLASRJWQC-VHSXEESVSA-N 2 0 307.385 2.682 20 0 DFADRP CCO[C@H]1C[C@H]([N@H+](C)Cc2ccc3c(c2)C[NH2+]CC3)C1(C)C ZINC000563269535 302056440 /nfs/dbraw/zinc/05/64/40/302056440.db2.gz VGJIAFZJBGDOJU-ROUUACIJSA-N 2 0 302.462 2.968 20 0 DFADRP CCCC[N@H+](CC)Cc1cccc(CNC(=O)[C@H](C)[NH2+]C)c1 ZINC000563410848 302069025 /nfs/dbraw/zinc/06/90/25/302069025.db2.gz OXDLAOBOSNGUCN-HNNXBMFYSA-N 2 0 305.466 2.533 20 0 DFADRP CCCC[N@H+](CC)Cc1cccc(CNC(=O)[C@@H](C)[NH2+]C)c1 ZINC000563410849 302069211 /nfs/dbraw/zinc/06/92/11/302069211.db2.gz OXDLAOBOSNGUCN-OAHLLOKOSA-N 2 0 305.466 2.533 20 0 DFADRP COc1cc2c(c(C[NH2+]Cc3ccc(C[NH3+])cc3)c1)O[C@@H](C)C2 ZINC000563887973 302106253 /nfs/dbraw/zinc/10/62/53/302106253.db2.gz LIMSNQXQBONLGF-ZDUSSCGKSA-N 2 0 312.413 2.767 20 0 DFADRP c1c(C[NH2+][C@H]2CCCC23CCOCC3)onc1C1CC[NH2+]CC1 ZINC000564320490 302128447 /nfs/dbraw/zinc/12/84/47/302128447.db2.gz PNAQSRHPSKURMZ-KRWDZBQOSA-N 2 0 319.449 2.581 20 0 DFADRP Cn1ccnc1[C@H]([NH2+]C1CCC([NH3+])CC1)c1ccc(F)cc1 ZINC000564791765 302158733 /nfs/dbraw/zinc/15/87/33/302158733.db2.gz CPJDRWLFBVEKFP-UYSNPLJNSA-N 2 0 302.397 2.508 20 0 DFADRP C[C@@H]([NH2+]CCN1CCc2c(Cl)cccc2C1)[C@H]1CCC[NH2+]C1 ZINC000564826091 302161579 /nfs/dbraw/zinc/16/15/79/302161579.db2.gz AZNIDCAQGFTLLG-CABCVRRESA-N 2 0 321.896 2.676 20 0 DFADRP CC[NH+]1CCC(C[NH2+]CCC(=O)Nc2cccc(Cl)c2)CC1 ZINC000564846613 302163871 /nfs/dbraw/zinc/16/38/71/302163871.db2.gz QJJCZJRRIJNPQW-UHFFFAOYSA-N 2 0 323.868 2.990 20 0 DFADRP C[NH+](C)CCc1ccc(NC(=O)[C@@H]2[NH2+]CCc3ccccc32)cc1 ZINC000565028629 302186099 /nfs/dbraw/zinc/18/60/99/302186099.db2.gz LCZAAOSVZBWFIF-LJQANCHMSA-N 2 0 323.440 2.616 20 0 DFADRP CC(C)c1[nH+]c(CN2CC[C@H]3CC[N@H+](C)C[C@H]32)c2ccccn21 ZINC000565083368 302192772 /nfs/dbraw/zinc/19/27/72/302192772.db2.gz NGZHZAWMFHAUGU-CRAIPNDOSA-N 2 0 312.461 2.984 20 0 DFADRP [NH3+][C@H]1CCC[C@@H]([NH2+]CCCc2nc(-c3ccncc3)cs2)C1 ZINC000565226737 302210401 /nfs/dbraw/zinc/21/04/01/302210401.db2.gz MQXYWBDYDMGAJO-LSDHHAIUSA-N 2 0 316.474 2.997 20 0 DFADRP CC(C)[N@H+](C)Cc1ccccc1C[NH2+]C[C@H](O)CC(F)(F)F ZINC000565357862 302220651 /nfs/dbraw/zinc/22/06/51/302220651.db2.gz BCAFQESWCXCUIN-OAHLLOKOSA-N 2 0 318.383 2.930 20 0 DFADRP [NH3+]C1C[C@H]2CCC[C@@H](C1)C2[NH2+][C@H]1CCN[C@H](c2ccccc2)C1 ZINC000565409411 302223491 /nfs/dbraw/zinc/22/34/91/302223491.db2.gz HCDGXYRICRULIG-WNBVTYSNSA-N 2 0 313.489 2.975 20 0 DFADRP Cc1cc(C[NH+]2CCSCC2)ccc1NC(=O)CCCC[NH3+] ZINC000565477199 302226675 /nfs/dbraw/zinc/22/66/75/302226675.db2.gz FFSUABCUVYCPRV-UHFFFAOYSA-N 2 0 321.490 2.611 20 0 DFADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+]Cc1cnn(-c2ccc(F)cc2)c1 ZINC000565586411 302231844 /nfs/dbraw/zinc/23/18/44/302231844.db2.gz LENGYPJLIVZPQQ-BDQJQXKSSA-N 2 0 314.408 2.617 20 0 DFADRP C[C@@H]1CC2(C[N@@H+]1Cc1nc(C3CCCC3)no1)CC[NH2+]CC2 ZINC000565651912 302234994 /nfs/dbraw/zinc/23/49/94/302234994.db2.gz VHWRSHPFUBTLFX-CYBMUJFWSA-N 2 0 304.438 2.691 20 0 DFADRP C[NH+](C)[C@@H]1CCC[C@H]([NH2+]C[C@@H](O)Cc2cccc(Cl)c2)C1 ZINC000565652544 302235008 /nfs/dbraw/zinc/23/50/08/302235008.db2.gz XAWWXKDXXRCADO-BBWFWOEESA-N 2 0 310.869 2.706 20 0 DFADRP [NH3+]CC[C@@H]1CCCN(Cc2nc3cc(Cl)ccc3c(=O)[nH]2)C1 ZINC000565659263 302235951 /nfs/dbraw/zinc/23/59/51/302235951.db2.gz WXLUHHJIQHBTGO-NSHDSACASA-N 2 0 320.824 2.550 20 0 DFADRP C[N@@H+]1CCC[C@@H](CC[NH2+]C[C@H](O)Cc2cccc(Cl)c2)C1 ZINC000565770481 302241502 /nfs/dbraw/zinc/24/15/02/302241502.db2.gz WDUVVRBKTVNJBZ-WMLDXEAASA-N 2 0 310.869 2.565 20 0 DFADRP C[N@@H+]1CCC[C@H](CC[NH2+]C[C@H](O)Cc2cccc(Cl)c2)C1 ZINC000565770480 302241518 /nfs/dbraw/zinc/24/15/18/302241518.db2.gz WDUVVRBKTVNJBZ-RHSMWYFYSA-N 2 0 310.869 2.565 20 0 DFADRP C[C@H](CCc1n[nH]c2ccccc21)[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000565827702 302244019 /nfs/dbraw/zinc/24/40/19/302244019.db2.gz AXZDECRSFSKJEW-QKPAOTATSA-N 2 0 312.461 2.862 20 0 DFADRP C[C@H]([NH2+]C[C@@H](c1ccc(Cl)cc1)N(C)C)[C@@H]1CCC[NH2+]C1 ZINC000566089477 302258440 /nfs/dbraw/zinc/25/84/40/302258440.db2.gz BBSLXHBMROAYCR-LXZKKBNFSA-N 2 0 309.885 2.920 20 0 DFADRP C[C@H]([NH2+]Cc1cc(N(C)C)nc2ccccc12)[C@@H]1CCC[NH2+]C1 ZINC000566089588 302258537 /nfs/dbraw/zinc/25/85/37/302258537.db2.gz UQWYNCAZRQXCOY-LSDHHAIUSA-N 2 0 312.461 2.779 20 0 DFADRP CC(C)[N@H+](C)CC1CC[NH+](C[C@H](C[NH3+])c2ccc(F)cc2)CC1 ZINC000566304202 302277151 /nfs/dbraw/zinc/27/71/51/302277151.db2.gz SHBVSNOIRSQIRS-SFHVURJKSA-N 3 0 321.484 2.920 20 0 DFADRP CC(C)c1nc2n(n1)C[C@H]([NH2+][C@H](C)C[C@@H]1CCCCC[NH2+]1)CC2 ZINC000567260341 302345623 /nfs/dbraw/zinc/34/56/23/302345623.db2.gz LLMVCTBTEBPYON-OWCLPIDISA-N 2 0 319.497 2.617 20 0 DFADRP COC[C@]1(CN[C@H](C)c2ccc(Cl)c(F)c2)CCC[NH2+]1 ZINC000567580241 302369853 /nfs/dbraw/zinc/36/98/53/302369853.db2.gz JRNGGWOCSMWUCW-IAQYHMDHSA-N 2 0 300.805 2.898 20 0 DFADRP C[C@@H]([NH2+]Cc1ccnc(OC2CCCC2)c1)[C@H]1CCC[NH2+]C1 ZINC000567648404 302376452 /nfs/dbraw/zinc/37/64/52/302376452.db2.gz LNPCDCPZEMDCOJ-ZBFHGGJFSA-N 2 0 303.450 2.881 20 0 DFADRP Cc1ccc(NC(=O)C[C@@H](C)[NH2+]CC2=CC[NH2+]CC2)cc1Cl ZINC000567654256 302376554 /nfs/dbraw/zinc/37/65/54/302376554.db2.gz IDWISWYJAWTPHJ-CYBMUJFWSA-N 2 0 321.852 2.875 20 0 DFADRP CC(C)OCC[C@@H](O)C[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000567684420 302379537 /nfs/dbraw/zinc/37/95/37/302379537.db2.gz ITOKNDWAXKEKGL-GOSISDBHSA-N 2 0 312.498 2.549 20 0 DFADRP C[C@@H]1C[C@H]([NH2+][C@H]2CCN(Cc3ccccc3)C3(CC3)C2)CO1 ZINC000567853433 302392807 /nfs/dbraw/zinc/39/28/07/302392807.db2.gz AWJBXGMAPXCCCB-NJAFHUGGSA-N 2 0 300.446 2.951 20 0 DFADRP Cc1ccc(CC[NH2+][C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)cn1 ZINC000568988717 302489341 /nfs/dbraw/zinc/48/93/41/302489341.db2.gz DKESKWXJUINANE-ICSRJNTNSA-N 2 0 323.440 2.778 20 0 DFADRP Fc1ccc(-c2nc(CC[NH2+]C3C[C@H]4CC[C@@H](C3)[NH2+]4)co2)cc1 ZINC000569474012 302521003 /nfs/dbraw/zinc/52/10/03/302521003.db2.gz HVMLBTNBIIXRAA-FKEKPDDDSA-N 2 0 315.392 2.896 20 0 DFADRP Cn1nccc1[C@H]1CCC[C@H]([NH2+]C[C@H]2CC[C@H](C[NH3+])CC2)C1 ZINC000570077876 302555047 /nfs/dbraw/zinc/55/50/47/302555047.db2.gz UKQUKFMIXACYPQ-QAETUUGQSA-N 2 0 304.482 2.801 20 0 DFADRP C[C@@H]([NH2+]CC1CC[NH+](Cc2cccs2)CC1)[C@@H]1CCC[NH2+]C1 ZINC000570199925 302561157 /nfs/dbraw/zinc/56/11/57/302561157.db2.gz FXQPSZUOTZSLFH-NVXWUHKLSA-N 3 0 321.534 2.938 20 0 DFADRP CC(C)[C@@H]([NH2+]CC1CC[NH2+]CC1)c1ccc2[nH]c(=O)oc2c1 ZINC000570792511 302592633 /nfs/dbraw/zinc/59/26/33/302592633.db2.gz CQIQYTYSOQNBAI-MRXNPFEDSA-N 2 0 303.406 2.820 20 0 DFADRP C[C@H](NC(=O)C[NH+]1CCC(CC[NH3+])CC1)c1ccc(Cl)cc1 ZINC000570808091 302593624 /nfs/dbraw/zinc/59/36/24/302593624.db2.gz BMNVSDORMCRYNQ-ZDUSSCGKSA-N 2 0 323.868 2.578 20 0 DFADRP [NH3+]C[C@H]1CC[C@H](C[NH2+][C@@H](c2ccccc2)c2ccncn2)CC1 ZINC000571313388 302613117 /nfs/dbraw/zinc/61/31/17/302613117.db2.gz WZSWKRHZAZFTQE-BXWFABGCSA-N 2 0 310.445 2.921 20 0 DFADRP O=C(CC[NH2+]C1CC1)Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC000572735445 302679815 /nfs/dbraw/zinc/67/98/15/302679815.db2.gz WHRUIIBEHINMTO-UHFFFAOYSA-N 2 0 315.461 2.796 20 0 DFADRP C[C@@H]([NH2+]Cc1cccc(C[NH+]2CCCC2)c1)[C@H]1CCC[NH2+]C1 ZINC000574268936 302749503 /nfs/dbraw/zinc/74/95/03/302749503.db2.gz KCTUWRYCKCERMZ-APWZRJJASA-N 3 0 301.478 2.760 20 0 DFADRP C[NH+](C)CCN(CC[NH+](C)C)Cc1ccc(Cl)cc1Cl ZINC000574366226 302754562 /nfs/dbraw/zinc/75/45/62/302754562.db2.gz PIPUGPLFPTUNBL-UHFFFAOYSA-N 2 0 318.292 2.919 20 0 DFADRP [NH3+]C1(C(=O)NC[C@H](c2ccccc2)[NH+]2CCCC2)CCCCC1 ZINC000237920881 303355630 /nfs/dbraw/zinc/35/56/30/303355630.db2.gz LCQURGRSKMXJKU-QGZVFWFLSA-N 2 0 315.461 2.601 20 0 DFADRP CC(C)[NH2+]CCC(=O)NCC(C)(C)[NH2+][C@@H](C)c1ccccc1 ZINC000167618839 315892026 /nfs/dbraw/zinc/89/20/26/315892026.db2.gz ILLICDSRTSQVMW-HNNXBMFYSA-N 2 0 305.466 2.620 20 0 DFADRP C[C@@H]([NH2+]Cc1ccc(N2CC[NH+](C)CC2)nc1)c1cccs1 ZINC000177826562 315985819 /nfs/dbraw/zinc/98/58/19/315985819.db2.gz BEWUKJRFHMDOKF-CQSZACIVSA-N 2 0 316.474 2.746 20 0 DFADRP CC(C)CSCCC[N@H+](C)CCN(C)C1CC[NH+](C)CC1 ZINC000180960564 316046929 /nfs/dbraw/zinc/04/69/29/316046929.db2.gz AVKHWSSFNYWSOP-UHFFFAOYSA-N 2 0 315.571 2.724 20 0 DFADRP C[N@H+](CC[C@@H]1CCCC[NH+]1C)C[C@H](O)CCc1ccccc1 ZINC000182415355 316101249 /nfs/dbraw/zinc/10/12/49/316101249.db2.gz MXAVQSKWJKYEJR-RBUKOAKNSA-N 2 0 304.478 2.786 20 0 DFADRP CC(C)(C)[NH2+]CCNC(=O)[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000182710270 316114761 /nfs/dbraw/zinc/11/47/61/316114761.db2.gz SRBNQEIDXMGYOP-QGZVFWFLSA-N 2 0 317.477 2.545 20 0 DFADRP Cc1cc(C)c([C@@H](C)[NH+]2CCN([C@@H]3CC[NH2+]C3)CC2)c(C)c1 ZINC000319119803 316250330 /nfs/dbraw/zinc/25/03/30/316250330.db2.gz UOAABROFKIGCDL-QZTJIDSGSA-N 2 0 301.478 2.652 20 0 DFADRP [NH3+][C@@H](CCC(=O)N1CC[C@@H]([NH+]2CCCCC2)C1)c1ccccc1 ZINC000321394262 316256488 /nfs/dbraw/zinc/25/64/88/316256488.db2.gz OZNVQGFJCWYIST-MSOLQXFVSA-N 2 0 315.461 2.553 20 0 DFADRP CC[N@@H+]1CC[C@H]([NH2+]Cc2ccc(NCCOC)cc2)[C@@H](C)C1 ZINC000347308769 316319737 /nfs/dbraw/zinc/31/97/37/316319737.db2.gz JRVZFCZSEWIVFF-YJBOKZPZSA-N 2 0 305.466 2.565 20 0 DFADRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+][C@@H](C)CCc1ccsc1 ZINC000349401571 316356542 /nfs/dbraw/zinc/35/65/42/316356542.db2.gz DWMSZTCPOZPDMD-JKSUJKDBSA-N 2 0 309.523 2.685 20 0 DFADRP COC[C@@](C)(CCO)[NH2+]Cc1cccc(C[NH+]2CCCCC2)c1 ZINC000411334073 316590554 /nfs/dbraw/zinc/59/05/54/316590554.db2.gz OTTLCVIBBICHER-LJQANCHMSA-N 2 0 320.477 2.550 20 0 DFADRP COc1ccc(C[NH2+][C@@H]2CCCC[C@@H]2C[NH3+])cc1OC(F)F ZINC000414792347 316659130 /nfs/dbraw/zinc/65/91/30/316659130.db2.gz CDLFNHXXYJXLEO-CHWSQXEVSA-N 2 0 314.376 2.904 20 0 DFADRP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]Cc1cccc(OCC(F)(F)F)c1 ZINC000414794831 316660788 /nfs/dbraw/zinc/66/07/88/316660788.db2.gz MGIREYYDDMCENS-JSGCOSHPSA-N 2 0 302.340 2.845 20 0 DFADRP Cn1c2cc(Cl)ccc2nc1C[NH2+][C@@H]1CCCC[C@H]1C[NH3+] ZINC000414795663 316660882 /nfs/dbraw/zinc/66/08/82/316660882.db2.gz GTZDCAHTYCTYCH-WCQYABFASA-N 2 0 306.841 2.834 20 0 DFADRP Cc1nn(C)c2ncc(C[NH2+]Cc3ccc([C@H](C)[NH3+])cc3)cc12 ZINC000414802866 316663108 /nfs/dbraw/zinc/66/31/08/316663108.db2.gz BXUCHDWLPPPFAE-LBPRGKRZSA-N 2 0 309.417 2.586 20 0 DFADRP COc1cc(C[NH2+][C@H]2CCCC[C@@H]2C[NH3+])cc(Cl)c1OC ZINC000414811801 316665207 /nfs/dbraw/zinc/66/52/07/316665207.db2.gz WOPTVYZGLFPXFK-OCCSQVGLSA-N 2 0 312.841 2.964 20 0 DFADRP CCC([NH3+])(CC)CNC1CC[NH+](CCc2ccccc2)CC1 ZINC000414811226 316665279 /nfs/dbraw/zinc/66/52/79/316665279.db2.gz PIFVUDQVCMVSRL-UHFFFAOYSA-N 2 0 303.494 2.801 20 0 DFADRP CCC[C@@H]1CCC[C@H]1[NH2+]Cc1cccnc1N1CC[NH+](C)CC1 ZINC000433147671 316881702 /nfs/dbraw/zinc/88/17/02/316881702.db2.gz ZJYGNWSACWXXKQ-SJLPKXTDSA-N 2 0 316.493 2.892 20 0 DFADRP CCc1ccccc1NC(=O)C[C@H](C)[NH2+]C1CCC([NH3+])CC1 ZINC000437773038 316935718 /nfs/dbraw/zinc/93/57/18/316935718.db2.gz LAOVNEUCPNSFPG-JEYLPNPQSA-N 2 0 303.450 2.826 20 0 DFADRP C[C@@H](CC(=O)Nc1cccc(Cl)c1)[NH2+]C1CCC([NH3+])CC1 ZINC000437777514 316936008 /nfs/dbraw/zinc/93/60/08/316936008.db2.gz RRTOFJXCAYITSS-XGNXJENSSA-N 2 0 309.841 2.917 20 0 DFADRP Cn1ccnc1CN1CC[NH+](CC/C=C\c2ccccc2)CC1 ZINC000450375470 317086487 /nfs/dbraw/zinc/08/64/87/317086487.db2.gz DRRYWPWXRWWSOD-UITAMQMPSA-N 2 0 310.445 2.641 20 0 DFADRP C[C@@H]([NH2+]CCCC[N@H+](C)C1CC1)c1ccc2c(c1)OCC(=O)N2 ZINC000453404852 317183980 /nfs/dbraw/zinc/18/39/80/317183980.db2.gz QCSXUJUCPDYCIB-CYBMUJFWSA-N 2 0 317.433 2.543 20 0 DFADRP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+]CCOCC1CCCC1 ZINC000453578171 317190527 /nfs/dbraw/zinc/19/05/27/317190527.db2.gz BPDXUTVGUHNZDD-UHFFFAOYSA-N 2 0 314.433 2.872 20 0 DFADRP C[C@H](CC[NH+](C)C)NC(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C ZINC000455944612 317215244 /nfs/dbraw/zinc/21/52/44/317215244.db2.gz VQLXOMDVCSNHCH-DYVFJYSZSA-N 2 0 318.465 2.697 20 0 DFADRP Cn1cncc1CC[N@@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000459334144 317319615 /nfs/dbraw/zinc/31/96/15/317319615.db2.gz FJGWXUTTZHDEBW-KRWDZBQOSA-N 2 0 304.482 2.551 20 0 DFADRP C[C@@H](C[NH2+]C1CCN(c2cc[nH+]cc2)CC1)N1CCCC[C@H]1C ZINC000459364745 317322123 /nfs/dbraw/zinc/32/21/23/317322123.db2.gz AIBYFJUGZMFOKC-SJORKVTESA-N 2 0 316.493 2.903 20 0 DFADRP CC[NH+]1CCN(Cc2ccc(C[NH2+]C[C@H]3C[C@@H]3C)cc2)CC1 ZINC000488412033 317390928 /nfs/dbraw/zinc/39/09/28/317390928.db2.gz KXXGCFKPCFYZJT-QFBILLFUSA-N 2 0 301.478 2.570 20 0 DFADRP C[C@@H]1C[C@H]1C[NH2+]CCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000488421644 317391724 /nfs/dbraw/zinc/39/17/24/317391724.db2.gz SYSKTQDDQGVIJM-MSOLQXFVSA-N 2 0 301.478 2.834 20 0 DFADRP CC(C)C1CC([NH2+]Cc2cccc(C(=O)NCC[NH+](C)C)c2)C1 ZINC000488446678 317394087 /nfs/dbraw/zinc/39/40/87/317394087.db2.gz URMHEFKSEIXBND-UHFFFAOYSA-N 2 0 317.477 2.502 20 0 DFADRP C[C@@H]1CCCC[C@@H]1[NH+]1CCC(N[C@H]2CC[NH2+]C23CCC3)CC1 ZINC000530179935 317773661 /nfs/dbraw/zinc/77/36/61/317773661.db2.gz YZRBRLLGQKELCC-NJAFHUGGSA-N 2 0 305.510 2.904 20 0 DFADRP c1cc2c(cccc2N2CC[NH+](CC[C@@H]3CCC[NH2+]C3)CC2)[nH]1 ZINC000530230644 317777555 /nfs/dbraw/zinc/77/75/55/317777555.db2.gz BWGMQCPWBIOXQW-INIZCTEOSA-N 2 0 312.461 2.680 20 0 DFADRP Fc1ccc(C[NH+]2CCC(CO[C@@H]3CC[NH2+]C3)CC2)c(F)c1 ZINC000530243032 317778318 /nfs/dbraw/zinc/77/83/18/317778318.db2.gz UQINUOFDKJBOKG-MRXNPFEDSA-N 2 0 310.388 2.555 20 0 DFADRP CC[NH+]1CCC(C[NH2+][C@H](c2cnn(C)c2)c2ccccc2)CC1 ZINC000565519251 317923203 /nfs/dbraw/zinc/92/32/03/317923203.db2.gz PDLWMOBHZRFCSR-IBGZPJMESA-N 2 0 312.461 2.831 20 0 DFADRP C[C@H](c1ccccc1)[C@H](O)C[NH2+]CC1CC[NH+](C2CC2)CC1 ZINC000566063560 317936153 /nfs/dbraw/zinc/93/61/53/317936153.db2.gz BEFNOTPCGJZAQH-DNVCBOLYSA-N 2 0 302.462 2.615 20 0 DFADRP Cc1[nH+]ccc(N2CCC[C@@H]([NH+]3CCOCC3)CC2)c1Cl ZINC000567179789 317956322 /nfs/dbraw/zinc/95/63/22/317956322.db2.gz UYNHJGTVNKHWEV-CQSZACIVSA-N 2 0 309.841 2.735 20 0 DFADRP Cn1cc(-c2ccc(C[NH2+]C[C@@H]3CCC[C@@H]([NH3+])C3)s2)cn1 ZINC000568853366 317966546 /nfs/dbraw/zinc/96/65/46/317966546.db2.gz JVRDEUDVGDMJKN-TZMCWYRMSA-N 2 0 304.463 2.756 20 0 DFADRP CC[NH+](CC)Cc1cccc(CNC(=O)C[C@H]2CCC[NH2+]C2)c1 ZINC000572015411 317998641 /nfs/dbraw/zinc/99/86/41/317998641.db2.gz NOUWNFRIAFZAEQ-QGZVFWFLSA-N 2 0 317.477 2.534 20 0 DFADRP c1ccc(C[N@H+]2CCC[C@@]3(CCN(Cc4cnccn4)C3)C2)cc1 ZINC000572097854 318001088 /nfs/dbraw/zinc/00/10/88/318001088.db2.gz NWXHPLLHFRZIMI-HXUWFJFHSA-N 2 0 322.456 2.965 20 0 DFADRP CC(C)CC[NH+]1CCC(C[NH2+]C[C@@H](O)Cc2ccccc2)CC1 ZINC000572751347 318002209 /nfs/dbraw/zinc/00/22/09/318002209.db2.gz FFJVGGWERVWSIG-FQEVSTJZSA-N 2 0 318.505 2.938 20 0 DFADRP CC(C)C[N@@H+]1CCC[C@H](C[NH2+]C[C@H](O)Cc2ccccc2)C1 ZINC000574512343 318022811 /nfs/dbraw/zinc/02/28/11/318022811.db2.gz LMADPDSPJXGEFZ-RTBURBONSA-N 2 0 304.478 2.548 20 0 DFADRP CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)CC[C@H]([NH3+])c1ccccc1 ZINC000574630790 318029119 /nfs/dbraw/zinc/02/91/19/318029119.db2.gz WXTPNFRQUBLXMN-KURKYZTESA-N 2 0 315.461 2.552 20 0 DFADRP Cc1cccc2c1ccnc2N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000574871869 318046283 /nfs/dbraw/zinc/04/62/83/318046283.db2.gz HFOCFEXTJPVSPH-MRXNPFEDSA-N 2 0 311.429 2.702 20 0 DFADRP CC[C@H](C)NC(=O)c1cccc(C[NH2+][C@H]2CCC[C@@H]([NH3+])C2)c1 ZINC000575138183 318066543 /nfs/dbraw/zinc/06/65/43/318066543.db2.gz UAFQZGQBVUNADY-XKQJLSEDSA-N 2 0 303.450 2.574 20 0 DFADRP C[C@H](CCNC(=O)Nc1ccc2c(c1)C[NH2+]C2)[NH+]1CCCCC1 ZINC000575775149 318082885 /nfs/dbraw/zinc/08/28/85/318082885.db2.gz AOWWCJSXJUVSDY-CQSZACIVSA-N 2 0 316.449 2.676 20 0 DFADRP CCCC[N@H+](C)CC1CCN(C(=O)C[NH+]2CCC(C)(C)C2)CC1 ZINC000576000489 318097623 /nfs/dbraw/zinc/09/76/23/318097623.db2.gz BOHJRBXPLUTMFB-UHFFFAOYSA-N 2 0 323.525 2.689 20 0 DFADRP C[C@@H]([NH2+]CCc1cncn1C)c1ncc(Br)s1 ZINC000576085160 318102407 /nfs/dbraw/zinc/10/24/07/318102407.db2.gz DBZOYYLPCLYASC-MRVPVSSYSA-N 2 0 315.240 2.532 20 0 DFADRP c1ccc2c(c1)[nH+]ccc2N1CC[NH+](C[C@H]2CCCOC2)CC1 ZINC000576206164 318110756 /nfs/dbraw/zinc/11/07/56/318110756.db2.gz IVISLVHPNMLBIN-MRXNPFEDSA-N 2 0 311.429 2.783 20 0 DFADRP C[C@@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]Cc1ccc(-n2cncn2)cc1 ZINC000576338062 318119344 /nfs/dbraw/zinc/11/93/44/318119344.db2.gz IINDKVLZXAWUMM-RDJZCZTQSA-N 2 0 313.449 2.668 20 0 DFADRP COc1cc2c(cc1F)[nH+]ccc2N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000576452644 318127233 /nfs/dbraw/zinc/12/72/33/318127233.db2.gz XVQLDTYDTKMNMP-GOSISDBHSA-N 2 0 315.392 2.962 20 0 DFADRP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1[NH2+]CC1(O)CCC1 ZINC000577070481 318169533 /nfs/dbraw/zinc/16/95/33/318169533.db2.gz NOGWGJRPSWQSBM-HZPDHXFCSA-N 2 0 302.462 2.648 20 0 DFADRP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)CCCC[NH+](C)C)C1 ZINC000577239752 318180571 /nfs/dbraw/zinc/18/05/71/318180571.db2.gz ZFHIUADLIMJENQ-QZTJIDSGSA-N 2 0 323.525 2.831 20 0 DFADRP Cc1ncc(C[NH2+]Cc2ccc(OCC(F)(F)F)cc2)n1C ZINC000577509054 318198109 /nfs/dbraw/zinc/19/81/09/318198109.db2.gz ONQMJNTXNNYPRQ-UHFFFAOYSA-N 2 0 313.323 2.959 20 0 DFADRP CCOC(=O)C1([C@H](C)[NH2+]CCCc2cccs2)CC[NH2+]CC1 ZINC000577946935 318227525 /nfs/dbraw/zinc/22/75/25/318227525.db2.gz KMRUXXJAWCPUTG-AWEZNQCLSA-N 2 0 324.490 2.592 20 0 DFADRP COc1cncc(/C=C\CC[N@@H+]2CCC[C@@H]([NH+](C)C)CC2)c1 ZINC000577949962 318227888 /nfs/dbraw/zinc/22/78/88/318227888.db2.gz MMDLQOAOYOFDSY-DANOYGIBSA-N 2 0 303.450 2.910 20 0 DFADRP CC1(C)[C@H](O)C[C@@H]1[NH2+]Cc1cccc(C[NH+]2CCCCC2)c1 ZINC000577961385 318229371 /nfs/dbraw/zinc/22/93/71/318229371.db2.gz QQLVARKVAVVQAZ-ZWKOTPCHSA-N 2 0 302.462 2.922 20 0 DFADRP C[C@@H](C[C@H]1CCCCC[NH2+]1)[NH2+][C@H]1CCCO[C@@H]1c1cnn(C)c1 ZINC000578422956 318259229 /nfs/dbraw/zinc/25/92/29/318259229.db2.gz PZVUXDGWUSVRSW-XOYOTBSWSA-N 2 0 320.481 2.541 20 0 DFADRP C[NH+](C)CCCC(C)(C)NC(=O)CC[N@H+](C)C1CCCCC1 ZINC000578434951 318260549 /nfs/dbraw/zinc/26/05/49/318260549.db2.gz UGPJNZDENZWBNM-UHFFFAOYSA-N 2 0 311.514 2.878 20 0 DFADRP CC(C)C[C@H](CNC(=O)CC[C@@H](C)[NH3+])[NH2+][C@@H](C)c1ccccc1 ZINC000578745191 318282483 /nfs/dbraw/zinc/28/24/83/318282483.db2.gz JPLONJOWJNEDBL-SOLBZPMBSA-N 2 0 319.493 2.996 20 0 DFADRP Cc1ccccc1OC[C@H](O)C[NH2+]C1CC[NH+](C(C)(C)C)CC1 ZINC000578759196 318283549 /nfs/dbraw/zinc/28/35/49/318283549.db2.gz XDJQCEZWLVHSNN-QGZVFWFLSA-N 2 0 320.477 2.587 20 0 DFADRP COCCN(C)C[C@@H](O)C[N@@H+]1CCCCC[C@H]1c1ccccc1 ZINC000579021902 318302264 /nfs/dbraw/zinc/30/22/64/318302264.db2.gz KJFHDRDJKGGINH-MOPGFXCFSA-N 2 0 320.477 2.543 20 0 DFADRP COc1cncc(/C=C\CC[N@@H+]2CC[C@@H](c3nccn3C)C2)c1 ZINC000579254451 318318417 /nfs/dbraw/zinc/31/84/17/318318417.db2.gz JTCBDAKCPOREIQ-OICCZTGUSA-N 2 0 312.417 2.717 20 0 DFADRP COc1ccc(Cl)cc1N1CC[C@H]([NH2+][C@H]2CCC[C@H]([NH3+])C2)C1 ZINC000579258653 318319266 /nfs/dbraw/zinc/31/92/66/318319266.db2.gz VFVGKIRFKWFAGQ-KKUMJFAQSA-N 2 0 323.868 2.787 20 0 DFADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCC[NH2+]C[C@@H](O)CC(F)(F)F)C1 ZINC000579463411 318331771 /nfs/dbraw/zinc/33/17/71/318331771.db2.gz ROFZKJKIRRLSCK-MJBXVCDLSA-N 2 0 310.404 2.647 20 0 DFADRP C[C@H]1CN(CCC(=O)Nc2ccccc2-c2ccccc2)C[C@@H]1[NH3+] ZINC000579574129 318339953 /nfs/dbraw/zinc/33/99/53/318339953.db2.gz BKKOAJQUUAMBQU-YJBOKZPZSA-N 2 0 323.440 2.961 20 0 DFADRP CC[NH+](CC)CCOC1CC[NH+](CCc2cccc(C)n2)CC1 ZINC000579704513 318348841 /nfs/dbraw/zinc/34/88/41/318348841.db2.gz DCFFTTAKHKPOAD-UHFFFAOYSA-N 2 0 319.493 2.755 20 0 DFADRP C[NH+](C)CCN(CC[NH+](C)C)Cc1cnc(C2CCCC2)s1 ZINC000579763579 318352473 /nfs/dbraw/zinc/35/24/73/318352473.db2.gz DQYYBQDMJNHMDL-UHFFFAOYSA-N 2 0 324.538 2.726 20 0 DFADRP C[C@@H]([NH2+]Cc1ccc(OC2CCCCC2)nc1)[C@@H]1CC[NH2+]C1 ZINC000580062285 318372346 /nfs/dbraw/zinc/37/23/46/318372346.db2.gz APISKJKSADAGBP-GDBMZVCRSA-N 2 0 303.450 2.881 20 0 DFADRP C[C@@H](C[N@H+](C)CCCN(C)CC[NH+](C)C)c1ccc(F)cc1 ZINC000580128420 318377013 /nfs/dbraw/zinc/37/70/13/318377013.db2.gz GPTXRUKAODRTOH-INIZCTEOSA-N 2 0 309.473 2.745 20 0 DFADRP CC[N@H+](C)C[C@H](O)C[NH+]1CCC[C@@](C)(c2ccccc2)CC1 ZINC000580211830 318384673 /nfs/dbraw/zinc/38/46/73/318384673.db2.gz LUSUROLNNAFCEF-RBUKOAKNSA-N 2 0 304.478 2.743 20 0 DFADRP CC[N@@H+]1CC[C@H](N[C@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)C1 ZINC000379654566 323290626 /nfs/dbraw/zinc/29/06/26/323290626.db2.gz IYTMZVDZFYREFH-NEWSRXKRSA-N 2 0 301.478 2.723 20 0 DFADRP C[C@@H]1C[C@@H](N[C@@H]2CCC[NH2+]CC2)CC[N@@H+]1Cc1ccccc1 ZINC000379659145 323290994 /nfs/dbraw/zinc/29/09/94/323290994.db2.gz YTLXWASCLIADFM-QRQLOZEOSA-N 2 0 301.478 2.771 20 0 DFADRP CN(CC[NH2+]C(C)(C)C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000382721947 323301118 /nfs/dbraw/zinc/30/11/18/323301118.db2.gz NSJARHFGDNPEDY-SFHVURJKSA-N 2 0 303.494 2.828 20 0 DFADRP C[C@@H]1C[C@@H](C[N@@H+]2CC[C@@H](C)N(Cc3ccccc3)CC2)CC[NH2+]1 ZINC000382717851 323301295 /nfs/dbraw/zinc/30/12/95/323301295.db2.gz IIPVDUJTYQHGAC-GGPKGHCWSA-N 2 0 315.505 2.971 20 0 DFADRP C[N@H+](Cc1ccccc1)C1(CN[C@@H]2CCC[C@@H]2C[NH3+])CCC1 ZINC000386803417 323320729 /nfs/dbraw/zinc/32/07/29/323320729.db2.gz CDKXCSZHZLKKOE-QZTJIDSGSA-N 2 0 301.478 2.758 20 0 DFADRP COc1cc(C[NH2+]C(C)(C)CCC[NH+](C)C)cc(OC)c1O ZINC000387291723 323323808 /nfs/dbraw/zinc/32/38/08/323323808.db2.gz IGCQGSVPGLFTCR-UHFFFAOYSA-N 2 0 310.438 2.619 20 0 DFADRP O=C(C[C@@H]1CCC[NH2+]C1)Nc1ccc(C[NH+]2CCCC2)cc1 ZINC000387573133 323326574 /nfs/dbraw/zinc/32/65/74/323326574.db2.gz XKPMUEQDBQYNIM-INIZCTEOSA-N 2 0 301.434 2.611 20 0 DFADRP CCN(C(=O)OC(C)(C)C)[C@H](C)C[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000387678989 323327362 /nfs/dbraw/zinc/32/73/62/323327362.db2.gz RTHCJJZURKMOPG-KFWWJZLASA-N 2 0 313.486 2.704 20 0 DFADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+][C@@H]1CCO[C@H](c2cncn2C)C1 ZINC000581245739 323495679 /nfs/dbraw/zinc/49/56/79/323495679.db2.gz UWZLZLHNDNQWDZ-HPFXQQBRSA-N 2 0 320.481 2.541 20 0 DFADRP [NH3+][C@@H]1CCC[C@@H](C[NH2+]Cc2ccc(Oc3cnccn3)cc2)C1 ZINC000581931233 323590863 /nfs/dbraw/zinc/59/08/63/323590863.db2.gz AHDCXMWTXJQWGX-HZPDHXFCSA-N 2 0 312.417 2.876 20 0 DFADRP [NH3+][C@H](CCC(=O)NC1CC([NH+]2CCCCC2)C1)c1ccccc1 ZINC000582604966 323701999 /nfs/dbraw/zinc/70/19/99/323701999.db2.gz PGKNRWGYJYNTSV-DAWZGUTISA-N 2 0 315.461 2.600 20 0 DFADRP COc1cc2c(cc1C[NH2+]CCC[C@@H]1CCC[NH2+]1)O[C@@H](C)C2 ZINC000582713717 323723043 /nfs/dbraw/zinc/72/30/43/323723043.db2.gz NYEXPORBVRTDBJ-XJKSGUPXSA-N 2 0 304.434 2.640 20 0 DFADRP [NH3+][C@H](CCC(=O)N1CCC[C@H]1C[NH+]1CCCC1)c1ccccc1 ZINC000582788794 323736138 /nfs/dbraw/zinc/73/61/38/323736138.db2.gz NUZPLGODKVZZNB-ZWKOTPCHSA-N 2 0 315.461 2.553 20 0 DFADRP Cc1nc2ccccc2n1CCC[NH2+][C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000584285596 332212803 /nfs/dbraw/zinc/21/28/03/332212803.db2.gz RNGKXCQRHCWTRG-GDBMZVCRSA-N 2 0 300.450 2.713 20 0 DFADRP CC(C)CCN(CCC(C)C)C(=O)CN1CC[C@H]([NH3+])C[C@@H]1C ZINC000584358689 337102399 /nfs/dbraw/zinc/10/23/99/337102399.db2.gz FEOQPKZBDDNSOO-IRXDYDNUSA-N 2 0 311.514 2.719 20 0 DFADRP Cn1ncc2ccc(C[NH2+][C@@H]3CCC[C@H]3[C@H]3CCCC[NH2+]3)cc21 ZINC000584404630 337319906 /nfs/dbraw/zinc/31/99/06/337319906.db2.gz CUJFYMQPOZTUOC-RCCFBDPRSA-N 2 0 312.461 2.974 20 0 DFADRP CC[N@@H+]1CC[C@@H](C[NH2+][C@@H](C)c2cncc(Br)c2)C1 ZINC000584540621 337359706 /nfs/dbraw/zinc/35/97/06/337359706.db2.gz GGCJHRDQARHWHO-RYUDHWBXSA-N 2 0 312.255 2.837 20 0 DFADRP CCC(=O)Nc1cccc(C[NH2+][C@@H]2CC[N@H+](C)[C@@H]3CCC[C@@H]32)c1 ZINC000584670678 337381329 /nfs/dbraw/zinc/38/13/29/337381329.db2.gz LIYMHYHFTBBYOX-KZNAEPCWSA-N 2 0 315.461 2.998 20 0 DFADRP Cc1ccccc1-n1cc(C[NH+]2CCC(C[NH+](C)C)CC2)cn1 ZINC000648002081 500986882 /nfs/dbraw/zinc/98/68/82/500986882.db2.gz ZXJHEGDLXZCODZ-UHFFFAOYSA-N 2 0 312.461 2.954 20 0 DFADRP C(C[NH2+]C1CC[NH+](C2CCCCC2)CC1)COC[C@@H]1CCOC1 ZINC000158078682 518390394 /nfs/dbraw/zinc/39/03/94/518390394.db2.gz NWVYOPQZGRCPDK-KRWDZBQOSA-N 2 0 324.509 2.816 20 0 DFADRP CCN(C(=O)CCC[NH2+]C)[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000368453898 519904167 /nfs/dbraw/zinc/90/41/67/519904167.db2.gz NCBYYDWSATZBEX-FUHWJXTLSA-N 2 0 317.477 2.670 20 0 DFADRP Cc1ccc2[nH+]ccc(NC3CCN(CC[NH+](C)C)CC3)c2c1 ZINC000302142092 534522995 /nfs/dbraw/zinc/52/29/95/534522995.db2.gz FKDSTFXHRFEHSZ-UHFFFAOYSA-N 2 0 312.461 2.981 20 0 DFADRP c1nc2ccccc2n1CCC[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000321472023 534536045 /nfs/dbraw/zinc/53/60/45/534536045.db2.gz WDHHLMLYEDJDKN-GVDBMIGSSA-N 2 0 312.461 2.937 20 0 DFADRP CCCC[C@@H]([NH3+])C(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000154551462 521073876 /nfs/dbraw/zinc/07/38/76/521073876.db2.gz MXZKNVOVXKSZFC-MRXNPFEDSA-N 2 0 321.490 2.691 20 0 DFADRP CCCC[C@H]([NH3+])C(=O)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000154546964 521208034 /nfs/dbraw/zinc/20/80/34/521208034.db2.gz SYAWWQIGIKCNJA-HOCLYGCPSA-N 2 0 323.506 2.594 20 0 DFADRP C[NH+](C)[C@H](CNC(=O)C[N@H+](C)CC1CCCC1)c1ccccc1 ZINC000158050942 522071899 /nfs/dbraw/zinc/07/18/99/522071899.db2.gz JXJBGGRNQPQZEU-GOSISDBHSA-N 2 0 317.477 2.528 20 0 DFADRP CC[C@@H](C)[C@@H](O)C[NH2+][C@@H](C)c1ccc(OCC[NH+](C)C)cc1 ZINC000163910867 522325400 /nfs/dbraw/zinc/32/54/00/522325400.db2.gz BXTLMLQNYSAWSD-VKJFTORMSA-N 2 0 308.466 2.685 20 0 DFADRP COC1(C[N@@H+]2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)CCOCC1 ZINC000368438000 522601696 /nfs/dbraw/zinc/60/16/96/522601696.db2.gz ISKWQRGHEOGZTO-SFHVURJKSA-N 2 0 324.509 2.626 20 0 DFADRP Cc1cc(N2CCC[N@@H+]([C@H](C)CO)CC2)c2cc(F)ccc2[nH+]1 ZINC000364978402 525066681 /nfs/dbraw/zinc/06/66/81/525066681.db2.gz HFAHICYAMXXJCS-CQSZACIVSA-N 2 0 317.408 2.575 20 0 DFADRP c1cc(CC[N@@H+]2CC[C@@H](C[NH+]3CCCC3)C2)cc2c1OCC2 ZINC000266502425 526421453 /nfs/dbraw/zinc/42/14/53/526421453.db2.gz AQECWXDKBLHSNR-KRWDZBQOSA-N 2 0 300.446 2.582 20 0 DFADRP O=C(NC[C@H]1CCC[N@H+](CCCC2CCCC2)C1)[C@H]1CCC[NH2+]1 ZINC000338149473 526595227 /nfs/dbraw/zinc/59/52/27/526595227.db2.gz FVNNIWMGOIDHHS-QZTJIDSGSA-N 2 0 321.509 2.537 20 0 DFADRP Cc1nc2ccccn2c1C[NH2+]CCCCC[NH+]1CCCC1 ZINC000339499633 527180429 /nfs/dbraw/zinc/18/04/29/527180429.db2.gz GUEQNDAKIFLPFI-UHFFFAOYSA-N 2 0 300.450 2.998 20 0 DFADRP FC(F)(F)Cn1ccnc1C[NH2+]CCCCC[NH+]1CCCC1 ZINC000339499211 527674614 /nfs/dbraw/zinc/67/46/14/527674614.db2.gz MUHLFUZRFNHORF-UHFFFAOYSA-N 2 0 318.387 2.801 20 0 DFADRP CC(C)OCC[N@@H+]1C[C@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000310017775 527964643 /nfs/dbraw/zinc/96/46/43/527964643.db2.gz PFBYBKTZSYKSQF-MOPGFXCFSA-N 2 0 302.462 2.865 20 0 DFADRP CC1CC[NH+](CCCNC(=O)[C@@H]([NH3+])CC2CCCCC2)CC1 ZINC000319001055 528240008 /nfs/dbraw/zinc/24/00/08/528240008.db2.gz MWFPCLFELUTWOQ-KRWDZBQOSA-N 2 0 309.498 2.522 20 0 DFADRP CCCCN(C)C[C@@H](C)[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000297459972 528353449 /nfs/dbraw/zinc/35/34/49/528353449.db2.gz QAUDNNXNULIKNL-MRXNPFEDSA-N 2 0 304.482 2.760 20 0 DFADRP CCCC[NH+]1CCC(NC(=O)[C@H]([NH3+])CC2CCCCC2)CC1 ZINC000319630233 528460279 /nfs/dbraw/zinc/46/02/79/528460279.db2.gz MEWZAVYZYKXDHB-QGZVFWFLSA-N 2 0 309.498 2.665 20 0 DFADRP CC(C)[C@@H](O)C[N@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000293067132 528625204 /nfs/dbraw/zinc/62/52/04/528625204.db2.gz ZJAMPAKLHXHXSK-SFHVURJKSA-N 2 0 305.466 2.637 20 0 DFADRP CCCC[C@H](COC)[NH2+]C1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000305765280 528966667 /nfs/dbraw/zinc/96/66/67/528966667.db2.gz DBYWXPDKMYWNPB-KZNAEPCWSA-N 2 0 312.498 2.549 20 0 DFADRP CC(C)C[N@@H+]1Cc2cccc(NC(=O)[C@@H]3C[NH+](C)C[C@@H]3C)c2C1 ZINC000362905887 535145378 /nfs/dbraw/zinc/14/53/78/535145378.db2.gz UJZBBCKRPRSHMZ-GOEBONIOSA-N 2 0 315.461 2.794 20 0 DFADRP CCC[N@H+](C)CC(=O)NCc1ccccc1C[NH+]1CCCCC1 ZINC000358554761 535250805 /nfs/dbraw/zinc/25/08/05/535250805.db2.gz KDSOGAPAEXNEHD-UHFFFAOYSA-N 2 0 317.477 2.631 20 0 DFADRP CCC1(C[NH2+][C@H](C)CC(N)=O)CC[NH+](Cc2ccccc2)CC1 ZINC000358225955 535298287 /nfs/dbraw/zinc/29/82/87/535298287.db2.gz NCHJVFUHCIANAV-MRXNPFEDSA-N 2 0 317.477 2.532 20 0 DFADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@@H](C)[C@H]1CCC[NH+](C2CCC2)C1 ZINC000358103369 535361734 /nfs/dbraw/zinc/36/17/34/535361734.db2.gz KJWOVWUXCKOLKC-XYJFISCASA-N 2 0 321.509 2.630 20 0 DFADRP CC[NH+](CC)Cc1ccc(-c2nc(C[C@@H](C)[NH2+]C)no2)cc1 ZINC000261877085 535599127 /nfs/dbraw/zinc/59/91/27/535599127.db2.gz VXISQESCSLVBPU-CYBMUJFWSA-N 2 0 302.422 2.729 20 0 DFADRP CC[NH+](CC)[C@@H](CNC(=O)CC1CC[NH+](C)CC1)CC(C)C ZINC000362764083 535652048 /nfs/dbraw/zinc/65/20/48/535652048.db2.gz YXBLXVWDFMRTCD-QGZVFWFLSA-N 2 0 311.514 2.591 20 0 DFADRP CC[NH+](CC)[C@@H](CNC(=O)CC[C@H]1CCC[NH2+]1)c1ccccc1 ZINC000261898722 535653058 /nfs/dbraw/zinc/65/30/58/535653058.db2.gz OQHVQAKPBXOURO-MSOLQXFVSA-N 2 0 317.477 2.718 20 0 DFADRP CC[NH+](CC)[C@H](CNC(=O)[C@H]1CCC[NH2+][C@H]1C)c1ccccc1 ZINC000261752568 535677089 /nfs/dbraw/zinc/67/70/89/535677089.db2.gz PCWRJMWYWHFBIG-RYQLBKOJSA-N 2 0 317.477 2.574 20 0 DFADRP COc1ccc(NC(=[NH2+])NCC2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc1 ZINC000361804866 536713471 /nfs/dbraw/zinc/71/34/71/536713471.db2.gz VOYBGNCQFAQQAD-LQDVMPOASA-N 2 0 302.422 2.504 20 0 DFADRP COc1ccc(CC[NH2+][C@@H]2C[C@H]([NH3+])c3ccccc32)cc1OC ZINC000261959516 536841147 /nfs/dbraw/zinc/84/11/47/536841147.db2.gz XKRDLBKRHSHSIS-DLBZAZTESA-N 2 0 312.413 2.981 20 0 DFADRP COc1ccc(C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)cc1OC ZINC000262116006 536897994 /nfs/dbraw/zinc/89/79/94/536897994.db2.gz KFANCDYHXYTDJR-ARFHVFGLSA-N 2 0 304.434 2.714 20 0 DFADRP CC[NH+](CC)Cc1ccc(C(=O)NCC[N@H+]2CC=C(C)CC2)o1 ZINC000680825716 545547896 /nfs/dbraw/zinc/54/78/96/545547896.db2.gz GEPKWFYFVYCROD-UHFFFAOYSA-N 2 0 319.449 2.503 20 0 DFADRP Cc1cc(Cl)ccc1CN1CCN(c2nccn2C)CC1 ZINC000681099133 545596912 /nfs/dbraw/zinc/59/69/12/545596912.db2.gz YUPXMJNIPJAPIP-UHFFFAOYSA-N 2 0 304.825 2.704 20 0 DFADRP CC[C@@H]1C[N@@H+]2CCCC[C@H]2CN1C(=O)[C@@H](C)[NH2+]C(C)(C)CC ZINC000681304967 545626459 /nfs/dbraw/zinc/62/64/59/545626459.db2.gz VNXGKEIKHWLKQF-OAGGEKHMSA-N 2 0 309.498 2.628 20 0 DFADRP C[NH+]1CCN(C[C@@H]([NH2+]CC2(C)CCC2)c2ccccc2)CC1 ZINC000683703189 546079261 /nfs/dbraw/zinc/07/92/61/546079261.db2.gz LHYDVMNCYUPKOL-GOSISDBHSA-N 2 0 301.478 2.755 20 0 DFADRP OC[C@H]1CCC[N@@H+]1CCCC[NH2+]Cc1ccc2cnccc2c1 ZINC000683769372 546091621 /nfs/dbraw/zinc/09/16/21/546091621.db2.gz SNJPPBQSRKLGHJ-LJQANCHMSA-N 2 0 313.445 2.561 20 0 DFADRP CO[C@H]1CCC[C@@H]([NH2+]Cc2ccccc2OCC[NH+](C)C)C1 ZINC000684373434 546203397 /nfs/dbraw/zinc/20/33/97/546203397.db2.gz ZNCKTMSEZOIAAP-SJORKVTESA-N 2 0 306.450 2.674 20 0 DFADRP C[N@@H+]1CCCN(CCC[NH2+]Cc2ccc(C(F)F)cc2)CC1 ZINC000684535205 546238192 /nfs/dbraw/zinc/23/81/92/546238192.db2.gz KJZBPGUKWNIUQI-UHFFFAOYSA-N 2 0 311.420 2.741 20 0 DFADRP C[C@@H]1C[C@@H](C[NH2+]Cc2ccc(OCC[NH+](C)C)cc2)C[C@H](C)O1 ZINC000684931831 546304664 /nfs/dbraw/zinc/30/46/64/546304664.db2.gz YBRAZXACTXAWAM-ALXJQNPVSA-N 2 0 320.477 2.920 20 0 DFADRP C[C@@H]1C[NH+](CCCC[NH2+][C@H]2CCCc3cccnc32)C[C@@H](C)O1 ZINC000684955323 546307594 /nfs/dbraw/zinc/30/75/94/546307594.db2.gz LCEOIKFROMBFFK-NUJGCVRESA-N 2 0 317.477 2.938 20 0 DFADRP C[C@@H](C[NH+]1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1)C(C)(C)C ZINC000685460413 546353150 /nfs/dbraw/zinc/35/31/50/546353150.db2.gz IRJJFNQBUKNLRR-XNHLSEOASA-N 2 0 307.526 2.911 20 0 DFADRP Cc1ccsc1C[N@@H+](C)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000685457801 546353480 /nfs/dbraw/zinc/35/34/80/546353480.db2.gz OCVLBBJQMKNAQR-INIZCTEOSA-N 2 0 307.507 2.657 20 0 DFADRP C[N@H+](CCCN1CC[NH+](C)CC1)CC(C)(C)c1ccccc1 ZINC000685458498 546353519 /nfs/dbraw/zinc/35/35/19/546353519.db2.gz PNLQJAXQIFHHIK-UHFFFAOYSA-N 2 0 303.494 2.534 20 0 DFADRP Cc1ccsc1C[N@@H+](C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000685457802 546353860 /nfs/dbraw/zinc/35/38/60/546353860.db2.gz OCVLBBJQMKNAQR-MRXNPFEDSA-N 2 0 307.507 2.657 20 0 DFADRP CN(CCC[N@H+](C)Cc1ccc2cnccc2c1)CC[NH+](C)C ZINC000685475796 546359048 /nfs/dbraw/zinc/35/90/48/546359048.db2.gz FGBRIVAUDTVIOX-UHFFFAOYSA-N 2 0 314.477 2.550 20 0 DFADRP C1COC[C@@H]([NH+]2CCCC3(CCC[N@@H+]([C@H]4CCCOC4)C3)C2)C1 ZINC000685593189 546373119 /nfs/dbraw/zinc/37/31/19/546373119.db2.gz LFGNJWCOVDPQHT-ADUPEVMXSA-N 2 0 322.493 2.522 20 0 DFADRP CC(C)(C)c1ccc(CC[NH2+]C[C@H](O)C[NH+]2CCCCC2)cc1 ZINC000685840485 546397114 /nfs/dbraw/zinc/39/71/14/546397114.db2.gz WWOOIIBRYLIZGU-IBGZPJMESA-N 2 0 318.505 2.963 20 0 DFADRP CC[NH+](CC)CCC[C@@H](C)[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC000821188722 606404203 /nfs/dbraw/zinc/40/42/03/606404203.db2.gz CBARNEXEGTZFOZ-GFCCVEGCSA-N 2 0 322.482 2.528 20 0 DFADRP C[C@@H]([NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1)c1ccc2c(c1)CCO2 ZINC000278435643 214151349 /nfs/dbraw/zinc/15/13/49/214151349.db2.gz HDUXAQDXUXJLMV-JKSUJKDBSA-N 2 0 318.461 2.773 20 0 DFADRP C[C@@H]([NH2+]CCC[N@@H+]1CCCO[C@H](C)C1)c1ccc2c(c1)CCO2 ZINC000278435641 214151755 /nfs/dbraw/zinc/15/17/55/214151755.db2.gz HDUXAQDXUXJLMV-HZPDHXFCSA-N 2 0 318.461 2.773 20 0 DFADRP Cc1nc(F)ccc1C[NH2+]Cc1cccc(OCC[NH+](C)C)c1 ZINC000278440696 214154669 /nfs/dbraw/zinc/15/46/69/214154669.db2.gz UNOLABAAXKCCCP-UHFFFAOYSA-N 2 0 317.408 2.759 20 0 DFADRP Cc1nccn1[C@H]1CCC[N@@H+]([C@@H](C)C(=O)NC2CCCCC2)C1 ZINC000591906858 398350091 /nfs/dbraw/zinc/35/00/91/398350091.db2.gz UAIGDBMBNWCKJO-YOEHRIQHSA-N 2 0 318.465 2.666 20 0 DFADRP CC(C)C[C@H](C[NH+](C)C)NC(=O)CC[C@@H]([NH3+])c1ccccc1 ZINC000236753252 398364141 /nfs/dbraw/zinc/36/41/41/398364141.db2.gz HFXKTWMOHYGHHQ-IAGOWNOFSA-N 2 0 305.466 2.559 20 0 DFADRP CCC[NH+]1CCC(N[C@H](C)c2ccc3c(c2)OCCO3)CC1 ZINC000236796987 398364549 /nfs/dbraw/zinc/36/45/49/398364549.db2.gz XQZJOQTVPINCSB-CQSZACIVSA-N 2 0 304.434 2.983 20 0 DFADRP Brc1ccsc1C[NH2+]CC[C@H]1CCC[NH2+]C1 ZINC000087575929 185228828 /nfs/dbraw/zinc/22/88/28/185228828.db2.gz MDEMSLLTHBCSNG-SNVBAGLBSA-N 2 0 303.269 2.990 20 0 DFADRP CC(C)C[C@H](CNC(=O)CC[C@@H]([NH3+])c1ccccc1)[NH+](C)C ZINC000236629258 398362530 /nfs/dbraw/zinc/36/25/30/398362530.db2.gz KIFDROBWDAQYQT-IAGOWNOFSA-N 2 0 305.466 2.559 20 0 DFADRP Cc1ccc(C[NH+](C)C)cc1NC(=O)[C@H]1[NH2+]CCc2ccccc21 ZINC000237065789 398366841 /nfs/dbraw/zinc/36/68/41/398366841.db2.gz TYQXCJJVEFZSCI-IBGZPJMESA-N 2 0 323.440 2.882 20 0 DFADRP CSc1ccc(C[NH2+]CCCN2CCC[N@H+](C)CC2)cc1 ZINC000237322559 398369695 /nfs/dbraw/zinc/36/96/95/398369695.db2.gz GFRSWJBPWUOIEA-UHFFFAOYSA-N 2 0 307.507 2.526 20 0 DFADRP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)CC[C@@H]([NH3+])c1ccccc1 ZINC000237548544 398371912 /nfs/dbraw/zinc/37/19/12/398371912.db2.gz ZCLPXGYOKQBCDC-SOLBZPMBSA-N 2 0 317.477 2.703 20 0 DFADRP C[C@H]1CCCC[C@@H]1C[NH2+]C[C@@H](O)CN1CCc2ccccc2C1 ZINC000237536714 398371765 /nfs/dbraw/zinc/37/17/65/398371765.db2.gz UYYOZKYKICTPEN-ILZDJORESA-N 2 0 316.489 2.822 20 0 DFADRP C[C@@H]1C[C@@H](C)C[NH+](CCCC[NH2+]C2CCN(C3CC3)CC2)C1 ZINC000459371042 299089797 /nfs/dbraw/zinc/08/97/97/299089797.db2.gz HYERTQRQUVJQNO-IAGOWNOFSA-N 2 0 307.526 2.961 20 0 DFADRP C[NH+](C)CCC1CC[NH+](Cc2c[nH]nc2-c2cccnc2)CC1 ZINC000092381285 185314552 /nfs/dbraw/zinc/31/45/52/185314552.db2.gz XHEDPZLKZLRCOU-UHFFFAOYSA-N 2 0 313.449 2.635 20 0 DFADRP Cc1cc(F)c(C[NH2+]CCCC[NH+]2CCOCC2)c(Cl)c1 ZINC000459378833 299091758 /nfs/dbraw/zinc/09/17/58/299091758.db2.gz RKVRVDIGTGHEGM-UHFFFAOYSA-N 2 0 314.832 2.990 20 0 DFADRP CCCC[NH+]1CCC([NH2+][C@@H]2C[C@@H](OCC)[C@H]2SC)CC1 ZINC000459387942 299093412 /nfs/dbraw/zinc/09/34/12/299093412.db2.gz DKXVNNXYNURYDV-OAGGEKHMSA-N 2 0 300.512 2.750 20 0 DFADRP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CC[NH+](C[C@H]2CC=CCC2)CC1 ZINC000092664666 185332283 /nfs/dbraw/zinc/33/22/83/185332283.db2.gz SOBHSGHIFPYWDN-QRVBRYPASA-N 2 0 305.510 2.833 20 0 DFADRP CCO[C@@H]1C[C@H]([NH2+]C[C@H](C)N2CCC(C)CC2)[C@@H]1SC ZINC000459395756 299094858 /nfs/dbraw/zinc/09/48/58/299094858.db2.gz ZANYTEPAZZWXRF-JONQDZQNSA-N 2 0 300.512 2.605 20 0 DFADRP COc1ccc(C[C@H](C)C[N@H+](C)CCc2cncn2C)cc1 ZINC000459397523 299095980 /nfs/dbraw/zinc/09/59/80/299095980.db2.gz WSWBAFBXBJOMLN-HNNXBMFYSA-N 2 0 301.434 2.782 20 0 DFADRP CCC[NH+]1CCC(C[NH2+][C@@H]2C[C@H](OCC)[C@@H]2SC)CC1 ZINC000459405398 299098313 /nfs/dbraw/zinc/09/83/13/299098313.db2.gz KATCRRQHHSOXAZ-OWCLPIDISA-N 2 0 300.512 2.607 20 0 DFADRP C[C@H]([NH2+]CCn1cc(Cl)cn1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000459405871 299098329 /nfs/dbraw/zinc/09/83/29/299098329.db2.gz OCPSZYVRVWPDMY-UONOGXRCSA-N 2 0 310.873 2.779 20 0 DFADRP CC(C)[C@@H]1CN([C@@H]2CC[NH+](Cc3ccccc3)C2)CC[N@@H+]1C ZINC000459410164 299099237 /nfs/dbraw/zinc/09/92/37/299099237.db2.gz BZBFFHGIFUYAMR-MOPGFXCFSA-N 2 0 301.478 2.533 20 0 DFADRP CC1CC[NH+](C[C@H](O)C[NH2+]CCc2cccc(Cl)c2)CC1 ZINC000459409224 299099410 /nfs/dbraw/zinc/09/94/10/299099410.db2.gz XZPYLEZJTWKMCR-QGZVFWFLSA-N 2 0 310.869 2.565 20 0 DFADRP CC1CC[NH+](C[C@@H](O)C[NH2+]CCc2cccc(Cl)c2)CC1 ZINC000459409222 299099465 /nfs/dbraw/zinc/09/94/65/299099465.db2.gz XZPYLEZJTWKMCR-KRWDZBQOSA-N 2 0 310.869 2.565 20 0 DFADRP CN(C)CC[NH+]1CCC(C[NH2+]CCc2ccc(Cl)cc2)CC1 ZINC000459408958 299099574 /nfs/dbraw/zinc/09/95/74/299099574.db2.gz NKPWIFDPXHRTPQ-UHFFFAOYSA-N 2 0 323.912 2.746 20 0 DFADRP CCOCC[NH2+][C@H](C)c1cc(F)ccc1N1CC[NH+](CC)CC1 ZINC000181629084 199329410 /nfs/dbraw/zinc/32/94/10/199329410.db2.gz NFUNPTHVNQCWFQ-OAHLLOKOSA-N 2 0 323.456 2.655 20 0 DFADRP CC[NH+]1CCC([NH2+]CCCCC(=O)OCc2ccccc2)CC1 ZINC000272778545 210183678 /nfs/dbraw/zinc/18/36/78/210183678.db2.gz VEURONPIOMBOTD-UHFFFAOYSA-N 2 0 318.461 2.974 20 0 DFADRP CC(C)(C)OC(=O)[C@@H]1CC[C@H]([NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)C1 ZINC000592379376 398418950 /nfs/dbraw/zinc/41/89/50/398418950.db2.gz MNTKZLDTDJXLBL-UGUYLWEFSA-N 2 0 308.466 2.713 20 0 DFADRP C[N@H+](CCCNC(=O)[C@@H]1[NH2+]CCCC1(C)C)C1CCCCC1 ZINC000319624544 529891285 /nfs/dbraw/zinc/89/12/85/529891285.db2.gz FSJAHEOPKTZIJL-INIZCTEOSA-N 2 0 309.498 2.535 20 0 DFADRP C[N@@H+]1CC[C@H]([NH2+][C@@H]2CC[C@H](C(=O)OC(C)(C)C)C2)[C@H]2CCC[C@@H]21 ZINC000592403448 398422770 /nfs/dbraw/zinc/42/27/70/398422770.db2.gz LIJUSRPYDSGXEI-BIVLZKPYSA-N 2 0 322.493 2.959 20 0 DFADRP CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]([NH3+])c1ccc(C(C)C)cc1 ZINC000262547108 398431713 /nfs/dbraw/zinc/43/17/13/398431713.db2.gz MRDFOSOAYWUGIT-ROUUACIJSA-N 2 0 317.477 2.800 20 0 DFADRP C[C@H](C(=O)NC[C@H](c1ccccc1)[NH+](C)C)[NH+]1CCCCCC1 ZINC000025408044 398440891 /nfs/dbraw/zinc/44/08/91/398440891.db2.gz ZISWFZPRJGAMCP-SJLPKXTDSA-N 2 0 317.477 2.670 20 0 DFADRP COC(=O)c1ccc(C[N@@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)s1 ZINC000592492161 398433580 /nfs/dbraw/zinc/43/35/80/398433580.db2.gz SOOLSKXXNNXAAK-ZIAGYGMSSA-N 2 0 322.474 2.746 20 0 DFADRP CCC[NH+](CCC)CCCNC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2[NH2+]1 ZINC000263250987 398434165 /nfs/dbraw/zinc/43/41/65/398434165.db2.gz JJVUGLHLLYPQDE-BBWFWOEESA-N 2 0 309.498 2.535 20 0 DFADRP C[C@@H]1CCC[C@@H](C)N1CC[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000459435463 299105860 /nfs/dbraw/zinc/10/58/60/299105860.db2.gz VRNYNQDITHKOIP-IAGOWNOFSA-N 2 0 316.493 2.903 20 0 DFADRP CC[N@H+](Cc1ccc(C(=O)N[C@@H]2CCC[NH+](C)C2)cc1)C(C)C ZINC000586754170 398453135 /nfs/dbraw/zinc/45/31/35/398453135.db2.gz UIYUZHUQODGTNC-GOSISDBHSA-N 2 0 317.477 2.741 20 0 DFADRP CCC[N@H+](CC)Cc1ccc(C(=O)N[C@H]2CCC[NH+](C)C2)cc1 ZINC000586754195 398453465 /nfs/dbraw/zinc/45/34/65/398453465.db2.gz ZQESIMYTXILOAS-SFHVURJKSA-N 2 0 317.477 2.743 20 0 DFADRP C[NH+]1CCC(O)(C[NH2+][C@H](Cc2ccccc2Cl)C2CC2)CC1 ZINC000294708899 530051028 /nfs/dbraw/zinc/05/10/28/530051028.db2.gz JKHXWXPOIGXBJF-QGZVFWFLSA-N 2 0 322.880 2.707 20 0 DFADRP Cc1cc(F)c(C[NH2+]CCCN2CC[NH+](C)CC2)c(Cl)c1 ZINC000459463927 299113176 /nfs/dbraw/zinc/11/31/76/299113176.db2.gz LJKCHLSRXZKOPA-UHFFFAOYSA-N 2 0 313.848 2.515 20 0 DFADRP CCn1nncc1C[NH+]1CCC(CC[N@H+](CC)CC2CC2)CC1 ZINC000459479758 299116712 /nfs/dbraw/zinc/11/67/12/299116712.db2.gz VDKKRTKIVJKESI-UHFFFAOYSA-N 2 0 319.497 2.632 20 0 DFADRP CCO[C@@H]1C[C@H]([NH2+]CC[C@H](C)[NH+]2CCCCC2)[C@H]1SC ZINC000459480562 299117496 /nfs/dbraw/zinc/11/74/96/299117496.db2.gz LWMKNYWZNUWGSA-CAOSSQGBSA-N 2 0 300.512 2.750 20 0 DFADRP c1ccc2nc(NCC[NH2+][C@H]3CC[N@@H+]4CCC[C@@H]4C3)ccc2c1 ZINC000090229577 398485567 /nfs/dbraw/zinc/48/55/67/398485567.db2.gz FCVPHZDYDFGMCU-DLBZAZTESA-N 2 0 310.445 2.863 20 0 DFADRP COC(=O)c1cc([C@H](C)N2CC[C@@H](C[NH+]3CCCC3)C2)oc1C ZINC000292625996 398485685 /nfs/dbraw/zinc/48/56/85/398485685.db2.gz NFYKBHRHWHQDSD-ZFWWWQNUSA-N 2 0 320.433 2.853 20 0 DFADRP CN(CCC[N@H+](C)CC1CCC(F)(F)CC1)CC[NH+](C)C ZINC000459518328 299123726 /nfs/dbraw/zinc/12/37/26/299123726.db2.gz FTVSOUFTWSKLRC-UHFFFAOYSA-N 2 0 305.457 2.627 20 0 DFADRP C[C@@H]([NH2+]C1CCC(O)CC1)c1cccc(OCC[NH+](C)C)c1 ZINC000090800315 398492607 /nfs/dbraw/zinc/49/26/07/398492607.db2.gz IPBJGPSJTRKDBD-ODIFPOPNSA-N 2 0 306.450 2.581 20 0 DFADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@H](O)c2ccc(Cl)c(F)c2)[C@H](C)C1 ZINC000090920755 398496364 /nfs/dbraw/zinc/49/63/64/398496364.db2.gz WMILDRSYZXHZBE-RLCCDNCMSA-N 2 0 314.832 2.832 20 0 DFADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1[NH2+]Cc1cccc(-c2cnn(C)c2)c1 ZINC000090920329 398497337 /nfs/dbraw/zinc/49/73/37/398497337.db2.gz YPFZWLHXZBSCED-VCBZYWHSSA-N 2 0 312.461 2.905 20 0 DFADRP COc1ccc(C[C@H](C)C[NH2+][C@H]2CC[N@H+](C)C[C@H]2C)cc1OC ZINC000090936489 398497426 /nfs/dbraw/zinc/49/74/26/398497426.db2.gz CXCGYLUWINUHOG-UXLLHSPISA-N 2 0 320.477 2.812 20 0 DFADRP CCCC[NH+]1CCC(NC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)CC1 ZINC000068450075 398504746 /nfs/dbraw/zinc/50/47/46/398504746.db2.gz CSDWFHTZNRTISF-GOSISDBHSA-N 2 0 323.525 2.878 20 0 DFADRP CC(C)(C)CC[C@H](CO)[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000459532446 299127900 /nfs/dbraw/zinc/12/79/00/299127900.db2.gz RCXGZMCWDIHCPD-MRXNPFEDSA-N 2 0 305.466 2.827 20 0 DFADRP CC[NH+]1CCN([C@@H]2CC[N@H+](CCCc3ccc(C)cc3)C2)CC1 ZINC000181858534 199363789 /nfs/dbraw/zinc/36/37/89/199363789.db2.gz GBQRZQDFJFFONH-HXUWFJFHSA-N 2 0 315.505 2.639 20 0 DFADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+][C@H](C)c2cccnc2Cl)CC1 ZINC000121196850 185763152 /nfs/dbraw/zinc/76/31/52/185763152.db2.gz SJSIOOWYMJUKKZ-LSDHHAIUSA-N 2 0 324.900 2.659 20 0 DFADRP CC[C@@H]([NH2+]Cc1cccnc1N1CC[NH+](C)CC1)[C@@H]1CC1(C)C ZINC000414071890 295763705 /nfs/dbraw/zinc/76/37/05/295763705.db2.gz MCPHKMVFTGTWFT-DLBZAZTESA-N 2 0 316.493 2.748 20 0 DFADRP CC[C@H]([NH2+]Cc1cccnc1N1CC[NH+](C)CC1)[C@@H]1CC1(C)C ZINC000414071894 295763746 /nfs/dbraw/zinc/76/37/46/295763746.db2.gz MCPHKMVFTGTWFT-IRXDYDNUSA-N 2 0 316.493 2.748 20 0 DFADRP CC[NH+]1CCN(CCC[NH2+][C@@H](C)c2ccc(OC)cc2C)CC1 ZINC000414077862 295764355 /nfs/dbraw/zinc/76/43/55/295764355.db2.gz ZMTRNRBJUQSMAO-KRWDZBQOSA-N 2 0 319.493 2.682 20 0 DFADRP CCO[C@@H]1C[C@H]([NH2+]CCCCC[NH+]2CCCC2)[C@@H]1SC ZINC000459585360 299140914 /nfs/dbraw/zinc/14/09/14/299140914.db2.gz IAFHYRQVJSCQTM-XHSDSOJGSA-N 2 0 300.512 2.751 20 0 DFADRP COC(=O)c1oc(CNC[C@@H]2CCC[N@@H+](C(C)C)C2)cc1C ZINC000597055636 398556652 /nfs/dbraw/zinc/55/66/52/398556652.db2.gz MFXDKIBFUJMFBR-AWEZNQCLSA-N 2 0 308.422 2.585 20 0 DFADRP CC[NH+](CC)CCC[NH2+][C@H](C)c1cccc(-n2ccnn2)c1 ZINC000286973263 219252214 /nfs/dbraw/zinc/25/22/14/219252214.db2.gz NWNJIJBCUASVFX-OAHLLOKOSA-N 2 0 301.438 2.650 20 0 DFADRP OC1(C[NH2+][C@H]2CCC23CCC3)CC[NH+](Cc2ccccc2)CC1 ZINC000414305114 295786364 /nfs/dbraw/zinc/78/63/64/295786364.db2.gz NERGHNDPCRPCES-SFHVURJKSA-N 2 0 314.473 2.936 20 0 DFADRP C[NH+](C)C(C)(C)CNC(=O)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000041903793 398575802 /nfs/dbraw/zinc/57/58/02/398575802.db2.gz OYDBKRWQWCAOLA-UHFFFAOYSA-N 2 0 317.477 2.743 20 0 DFADRP C[C@H](CC(=O)N(C)c1ccccc1)[NH2+]Cc1ccc2c[nH+]cn2c1 ZINC000459659142 299157715 /nfs/dbraw/zinc/15/77/15/299157715.db2.gz LVCLBVJKQYZVMW-OAHLLOKOSA-N 2 0 322.412 2.866 20 0 DFADRP CCCc1ccc(C[NH2+]C[C@H](C)N2CC[NH+](CC)CC2)cc1 ZINC000589836264 398579088 /nfs/dbraw/zinc/57/90/88/398579088.db2.gz VHDOSLLDIXTZIT-KRWDZBQOSA-N 2 0 303.494 2.755 20 0 DFADRP COc1ccc(COCC[NH2+][C@@H]2C[C@@H](C)[N@H+](C)C[C@H]2C)cc1 ZINC000133654218 186003285 /nfs/dbraw/zinc/00/32/85/186003285.db2.gz XQJSLOFJDCDBOI-IIDMSEBBSA-N 2 0 306.450 2.530 20 0 DFADRP C[C@H](C1CC1)[N@H+](C[C@H](O)CN(C)Cc1ccccc1)C1CC1 ZINC000590125134 398598428 /nfs/dbraw/zinc/59/84/28/398598428.db2.gz IXSTYAKSLXRIER-DNVCBOLYSA-N 2 0 302.462 2.742 20 0 DFADRP COC(=O)c1cc(C[NH2+]CC2CC[NH+](CC3CC3)CC2)c(C)o1 ZINC000597247679 398606470 /nfs/dbraw/zinc/60/64/70/398606470.db2.gz ALYFMMNJFUAYGN-UHFFFAOYSA-N 2 0 320.433 2.586 20 0 DFADRP CCOC(=O)[C@@]1(C)CCC[C@H]1[NH2+]C1CC[NH+](C(C)(C)C)CC1 ZINC000597240510 398602593 /nfs/dbraw/zinc/60/25/93/398602593.db2.gz OOOFSWURMSDAGV-QAPCUYQASA-N 2 0 310.482 2.961 20 0 DFADRP CCC[NH+](CCC)CCCC(=O)N1CCC[C@H]([NH2+]C(C)C)C1 ZINC000593411672 398621241 /nfs/dbraw/zinc/62/12/41/398621241.db2.gz CXSFKEXFCYJACX-KRWDZBQOSA-N 2 0 311.514 2.878 20 0 DFADRP C[C@@H]([NH2+]CC(C)(C)C[NH+](C)C)c1cccc(-n2ccnn2)c1 ZINC000287148391 219342726 /nfs/dbraw/zinc/34/27/26/219342726.db2.gz ZSCAQUYALAOZTO-CQSZACIVSA-N 2 0 301.438 2.506 20 0 DFADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CCN(c3ccccc3)C2)[C@H](C)C1 ZINC000152513627 186080760 /nfs/dbraw/zinc/08/07/60/186080760.db2.gz VWRLJOJIPBGAMI-AOIWGVFYSA-N 2 0 301.478 2.833 20 0 DFADRP C[C@H]([NH2+]C[C@H](O)C(C)(C)C)c1ccc(OCC[NH+](C)C)cc1 ZINC000164014540 186145994 /nfs/dbraw/zinc/14/59/94/186145994.db2.gz MHHKSZMBKKHZDT-YOEHRIQHSA-N 2 0 308.466 2.685 20 0 DFADRP COc1cc([C@H](C)[NH2+]CC2CC[NH+](C3CC3)CC2)c(F)cn1 ZINC000287172989 219359243 /nfs/dbraw/zinc/35/92/43/219359243.db2.gz USGLFWGDPVKTGW-LBPRGKRZSA-N 2 0 307.413 2.754 20 0 DFADRP C[C@H](Cc1ccccc1)C[NH+]1CCN(CC[NH+]2CCCC2)CC1 ZINC000182028553 199376736 /nfs/dbraw/zinc/37/67/36/199376736.db2.gz BFJIZMDMYYMROY-LJQANCHMSA-N 2 0 315.505 2.579 20 0 DFADRP CSc1ccc([C@H](C)NC[C@@H](O)C[NH+]2CCCCC2)cc1 ZINC000173345452 186178936 /nfs/dbraw/zinc/17/89/36/186178936.db2.gz KKMNFLASBDWAQP-GOEBONIOSA-N 2 0 308.491 2.906 20 0 DFADRP C[C@@H](Cc1ccccc1F)[NH2+]CCCC[N@@H+]1CCC[C@@H]1CO ZINC000187994278 186241254 /nfs/dbraw/zinc/24/12/54/186241254.db2.gz UEHWKYUYKDTUNW-DOTOQJQBSA-N 2 0 308.441 2.583 20 0 DFADRP CCN(CC)c1ncc(C[NH2+]CC2CC[NH+](CC)CC2)s1 ZINC000044517758 398647127 /nfs/dbraw/zinc/64/71/27/398647127.db2.gz CHKBZPALPIDRNX-UHFFFAOYSA-N 2 0 310.511 2.811 20 0 DFADRP C[C@H]1C[C@H](C[NH+]2CCC(C(=O)Nc3ccccc3)CC2)CC[NH2+]1 ZINC000414675663 295814972 /nfs/dbraw/zinc/81/49/72/295814972.db2.gz GJKZFQLLCAKUQC-JKSUJKDBSA-N 2 0 315.461 2.725 20 0 DFADRP C[C@H](CC(=O)Nc1ccccc1)[NH2+]CC[C@H]1CCC[N@H+](C)C1 ZINC000459720999 299172536 /nfs/dbraw/zinc/17/25/36/299172536.db2.gz AAWHISVXWCDNMJ-HZPDHXFCSA-N 2 0 303.450 2.725 20 0 DFADRP C[C@H]([NH2+]CCCN1CCN(c2cc[nH+]cc2)CC1)c1ccccc1 ZINC000266860484 186362713 /nfs/dbraw/zinc/36/27/13/186362713.db2.gz KVPCYMUMGMWYNV-SFHVURJKSA-N 2 0 324.472 2.945 20 0 DFADRP C[C@@H]1C[C@@H](C[NH2+]C2(c3ccc(F)cc3F)CCOCC2)CC[NH2+]1 ZINC000414711849 295818342 /nfs/dbraw/zinc/81/83/42/295818342.db2.gz RSAQAIPHLSCZAC-KGLIPLIRSA-N 2 0 324.415 2.948 20 0 DFADRP CC(C)[NH+]1CCN([C@@H]2CC[N@H+](C[C@@H]3CCC(F)(F)C3)C2)CC1 ZINC000590698962 398654377 /nfs/dbraw/zinc/65/43/77/398654377.db2.gz QXFYYICOAWXTDL-HZPDHXFCSA-N 2 0 315.452 2.522 20 0 DFADRP C[C@H]1C[C@H](C[NH+]2CCC(CO)(Cc3ccccc3)CC2)CC[NH2+]1 ZINC000414763935 295819616 /nfs/dbraw/zinc/81/96/16/295819616.db2.gz YHAYNLSMHBVPMT-PKOBYXMFSA-N 2 0 316.489 2.692 20 0 DFADRP C[N@@H+]1CC[C@@H](CNC(=O)c2ccc(Nc3cc[nH+]cc3)cc2)C1 ZINC000073013037 398655660 /nfs/dbraw/zinc/65/56/60/398655660.db2.gz ZFGAEQROXHHWEJ-AWEZNQCLSA-N 2 0 310.401 2.507 20 0 DFADRP C[NH+](C)[C@@H](CNC(=O)C[N@H+](C)C1CC(C)(C)C1)c1ccccc1 ZINC000459735309 299176541 /nfs/dbraw/zinc/17/65/41/299176541.db2.gz DWHAIPQBLKNENF-KRWDZBQOSA-N 2 0 317.477 2.526 20 0 DFADRP Cc1cccc(NC(=O)C[C@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)c1C ZINC000414835491 295823879 /nfs/dbraw/zinc/82/38/79/295823879.db2.gz UGHQKZYKNXFWMO-JTUUTPGSSA-N 2 0 315.461 2.893 20 0 DFADRP COCCCOc1cccc(C[NH2+]CC[C@H]2CCC[NH2+]C2)c1 ZINC000414843265 295825191 /nfs/dbraw/zinc/82/51/91/295825191.db2.gz CCLLCBIGVJURRY-MRXNPFEDSA-N 2 0 306.450 2.581 20 0 DFADRP CC(C)n1ncnc1CNCC[C@@H](C)[N@H+](C)Cc1ccccc1 ZINC000379632685 398658541 /nfs/dbraw/zinc/65/85/41/398658541.db2.gz NWBNTJVBOGSNFH-MRXNPFEDSA-N 2 0 315.465 2.859 20 0 DFADRP Cn1cc(C[NH2+]CC[C@@H]2CC[NH2+]C2)c(-c2ccccc2Cl)n1 ZINC000414839974 295824629 /nfs/dbraw/zinc/82/46/29/295824629.db2.gz WWASMPHDELNNSZ-ZDUSSCGKSA-N 2 0 318.852 2.830 20 0 DFADRP c1ccc(COc2ccccc2C[NH2+]CC[C@@H]2CC[NH2+]C2)nc1 ZINC000414841055 295824925 /nfs/dbraw/zinc/82/49/25/295824925.db2.gz XQOJKMOJWPFBSN-INIZCTEOSA-N 2 0 311.429 2.750 20 0 DFADRP CC(C)[NH+]1CCC([NH2+]C2CCN(CCC(F)(F)F)CC2)CC1 ZINC000361343953 535161962 /nfs/dbraw/zinc/16/19/62/535161962.db2.gz NWKZCPNVIXXMHX-UHFFFAOYSA-N 2 0 321.431 2.866 20 0 DFADRP COc1ccc(-c2n[nH]cc2C[NH2+]CC[C@H]2CCC[NH2+]C2)cc1 ZINC000414850871 295826134 /nfs/dbraw/zinc/82/61/34/295826134.db2.gz NJOUJJPPEGBGAO-CQSZACIVSA-N 2 0 314.433 2.565 20 0 DFADRP CCOC(=O)[C@@H]1CC[C@H]([NH2+]CC2([NH3+])CCCCCC2)C[C@@H]1C ZINC000414858145 295827232 /nfs/dbraw/zinc/82/72/32/295827232.db2.gz IBIPYPDRPDMMQB-HRCADAONSA-N 2 0 310.482 2.996 20 0 DFADRP COc1cc(C[NH2+]CC2(C)CC[NH2+]CC2)cc(Cl)c1OC ZINC000414904305 295832841 /nfs/dbraw/zinc/83/28/41/295832841.db2.gz MROWPVOULOWVRW-UHFFFAOYSA-N 2 0 312.841 2.837 20 0 DFADRP c1ccc(COc2ccc(C[NH2+][C@@H]3CCC[NH2+]CC3)cc2)nc1 ZINC000414913623 295834154 /nfs/dbraw/zinc/83/41/54/295834154.db2.gz JERJJDZWMHBOPJ-QGZVFWFLSA-N 2 0 311.429 2.892 20 0 DFADRP CSc1cc(Br)ccc1C[NH2+]C[C@H]1CC[NH2+]C1 ZINC000414919126 295834880 /nfs/dbraw/zinc/83/48/80/295834880.db2.gz WDRFIQOABVQCAL-JTQLQIEISA-N 2 0 315.280 2.870 20 0 DFADRP C[C@H]1C[C@@H]([NH2+]Cc2ccc(OCC(F)(F)F)cc2)CC[NH2+]1 ZINC000414944049 295838403 /nfs/dbraw/zinc/83/84/03/295838403.db2.gz GFNYWKROKJIZOY-AAEUAGOBSA-N 2 0 302.340 2.858 20 0 DFADRP c1cc(OC[C@H]2CCCO2)ccc1C[NH2+]CCC[C@@H]1CCC[NH2+]1 ZINC000414966116 295842137 /nfs/dbraw/zinc/84/21/37/295842137.db2.gz GAOFCUCAKBPFSG-IEBWSBKVSA-N 2 0 318.461 2.866 20 0 DFADRP CC(C)[N@H+](C)CC1CC[NH+](CC(=O)NCC2CCCCC2)CC1 ZINC000590786719 398674129 /nfs/dbraw/zinc/67/41/29/398674129.db2.gz KIGILUUMGFDHLZ-UHFFFAOYSA-N 2 0 323.525 2.735 20 0 DFADRP CC(C)[N@H+](C)CC1CC[NH+]([C@@H](C)C(=O)N2CCC(C)CC2)CC1 ZINC000590787120 398675140 /nfs/dbraw/zinc/67/51/40/398675140.db2.gz XJDZVMFPNFXWKY-KRWDZBQOSA-N 2 0 323.525 2.686 20 0 DFADRP COCC1(C[NH2+][C@H]2CCC[C@@H]2c2ccccc2)CC[NH2+]CC1 ZINC000414977120 295843466 /nfs/dbraw/zinc/84/34/66/295843466.db2.gz QOFPDMVAGAOPKD-MSOLQXFVSA-N 2 0 302.462 2.929 20 0 DFADRP [NH3+][C@@H]1CCC[C@@H](C[NH2+]C2CCN(Cc3ccccc3)CC2)C1 ZINC000414992534 295844605 /nfs/dbraw/zinc/84/46/05/295844605.db2.gz BUHUQYTZBBLNJS-QZTJIDSGSA-N 2 0 301.478 2.758 20 0 DFADRP CC(C)(C)CC(=O)N1CCC([NH2+]C[C@@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000414998047 295845665 /nfs/dbraw/zinc/84/56/65/295845665.db2.gz HSKFPUDQBAIPMT-CABCVRRESA-N 2 0 309.498 2.521 20 0 DFADRP COc1cccc(C[NH2+]C[C@@H]2CCC[C@H]([NH3+])C2)c1OC(F)F ZINC000414995560 295844994 /nfs/dbraw/zinc/84/49/94/295844994.db2.gz NLZBRSFKCJTDNS-YPMHNXCESA-N 2 0 314.376 2.904 20 0 DFADRP COc1ccc(C[C@@H](C)[NH2+][C@@H]2C[C@H]2C2CC[NH2+]CC2)cc1OC ZINC000415001046 295845884 /nfs/dbraw/zinc/84/58/84/295845884.db2.gz BYZXCZPCMULXJH-XOKHGSTOSA-N 2 0 318.461 2.613 20 0 DFADRP COc1ccc(C[C@H](C)[NH2+]C[C@H]2CCC[C@H]([NH3+])C2)cc1OC ZINC000415003615 295846163 /nfs/dbraw/zinc/84/61/63/295846163.db2.gz NJDQPUZVBHUFKH-BPUTZDHNSA-N 2 0 306.450 2.742 20 0 DFADRP C[N@@H+]1CCC[C@H](CC[NH2+]Cc2ncc(C(F)(F)F)s2)C1 ZINC000459783479 299191755 /nfs/dbraw/zinc/19/17/55/299191755.db2.gz NHPBAHZQHXCWBA-SNVBAGLBSA-N 2 0 307.385 2.983 20 0 DFADRP [NH3+]C[C@H]1CC[C@H](C[NH2+]Cc2ccc(Br)cn2)CC1 ZINC000415017731 295847561 /nfs/dbraw/zinc/84/75/61/295847561.db2.gz AANSFKYTPDBRJJ-HAQNSBGRSA-N 2 0 312.255 2.699 20 0 DFADRP C[C@@H](CCCC[NH3+])[NH2+]Cc1ccc(Cl)cc1-n1cncn1 ZINC000415014849 295847312 /nfs/dbraw/zinc/84/73/12/295847312.db2.gz NFGCCDXJVWJFBF-LBPRGKRZSA-N 2 0 307.829 2.528 20 0 DFADRP [NH3+]C[C@H]1CC[C@@H]([NH2+]C2CCN(CCc3ccc(F)cc3)CC2)C1 ZINC000415029552 295848750 /nfs/dbraw/zinc/84/87/50/295848750.db2.gz DUBBJKKNJRIYSS-QFBILLFUSA-N 2 0 319.468 2.550 20 0 DFADRP COc1ccc(C[NH2+][C@@H]2CC[C@@H](C[NH3+])C2)cc1OCC(C)C ZINC000415031511 295849062 /nfs/dbraw/zinc/84/90/62/295849062.db2.gz GXYCXTFQFHIGGD-GDBMZVCRSA-N 2 0 306.450 2.947 20 0 DFADRP [NH3+]C[C@H]1CC[C@@H]([NH2+]Cc2c[nH]nc2-c2ccc(Cl)cc2)C1 ZINC000415037018 295849804 /nfs/dbraw/zinc/84/98/04/295849804.db2.gz LVLDJXUEPCTLEK-XHDPSFHLSA-N 2 0 304.825 2.947 20 0 DFADRP C[N@@H+]1CCC[C@@H](CC[NH2+]Cc2ncc(Br)s2)C1 ZINC000459791898 299193903 /nfs/dbraw/zinc/19/39/03/299193903.db2.gz SCEZDYONJIXYTQ-JTQLQIEISA-N 2 0 318.284 2.727 20 0 DFADRP CC(C)[C@H](C[NH2+]C[C@@H](C)Cc1ccccc1)N1CC[NH+](C)CC1 ZINC000182051906 199380367 /nfs/dbraw/zinc/38/03/67/199380367.db2.gz VOGKMELXGBOEKX-ICSRJNTNSA-N 2 0 317.521 2.727 20 0 DFADRP C[C@@H](c1ccncc1)N1CCC([NH2+]C[C@H]2CC[NH2+][C@H](C)C2)CC1 ZINC000415075509 295854933 /nfs/dbraw/zinc/85/49/33/295854933.db2.gz BPYKTLGZZUNTMJ-IKGGRYGDSA-N 2 0 316.493 2.585 20 0 DFADRP COc1ccc(CCC[NH2+][C@H](C)C[C@H]2CCC[NH2+]2)cc1OC ZINC000415077023 295855051 /nfs/dbraw/zinc/85/50/51/295855051.db2.gz DORXXSNKSRLMEJ-GDBMZVCRSA-N 2 0 306.450 2.757 20 0 DFADRP [NH3+]C1CCC([NH2+]CCc2ccccc2OC(F)(F)F)CC1 ZINC000415076646 295855089 /nfs/dbraw/zinc/85/50/89/295855089.db2.gz DFAGEZRBUDKAME-UHFFFAOYSA-N 2 0 302.340 2.987 20 0 DFADRP COCCOc1ccccc1C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000415088101 295856414 /nfs/dbraw/zinc/85/64/14/295856414.db2.gz XAFKFRMBUXUZDX-FGTMMUONSA-N 2 0 318.461 2.722 20 0 DFADRP C[C@@H](NC(=O)CN(C)CC[C@@H]1CCCC[N@@H+]1C)c1cccs1 ZINC000173952282 198272211 /nfs/dbraw/zinc/27/22/11/198272211.db2.gz CLSYIVPEZHUINP-CABCVRRESA-N 2 0 323.506 2.732 20 0 DFADRP OCC1([C@@H]([NH2+]C[C@@H]2CCC[NH2+]C2)c2ccccc2)CCCC1 ZINC000415093065 295857136 /nfs/dbraw/zinc/85/71/36/295857136.db2.gz BORKOEQJCFFVSO-AEFFLSMTSA-N 2 0 302.462 2.870 20 0 DFADRP C[C@@H](C[C@@H]1CCC[NH2+]1)[NH2+]CCc1nc(-c2ccccn2)cs1 ZINC000415109494 295859066 /nfs/dbraw/zinc/85/90/66/295859066.db2.gz PPSCDWLJSHUWLX-KBPBESRZSA-N 2 0 316.474 2.868 20 0 DFADRP Cc1cc(C[NH+]2CCC([C@@H]3OCCC[C@H]3[NH3+])CC2)ccc1F ZINC000415111229 295859358 /nfs/dbraw/zinc/85/93/58/295859358.db2.gz QJFJVJPOZLGQMW-MSOLQXFVSA-N 2 0 306.425 2.852 20 0 DFADRP CCC[NH+]1CCN(C(=O)c2ccc(C[NH+](CC)CC)cc2)CC1 ZINC000073874076 398706157 /nfs/dbraw/zinc/70/61/57/398706157.db2.gz BNEGMOYKHVJDBN-UHFFFAOYSA-N 2 0 317.477 2.696 20 0 DFADRP COCc1cccc(C[NH+]2CCC([C@@H]3C[C@H]([NH3+])CCO3)CC2)c1 ZINC000415131659 295862857 /nfs/dbraw/zinc/86/28/57/295862857.db2.gz ZXNCIQWOMMNPCY-MOPGFXCFSA-N 2 0 318.461 2.551 20 0 DFADRP CC(C)[C@@H]([NH3+])CCN(C)C(=O)c1cccc(C[NH+]2CCCC2)c1 ZINC000236789540 202009895 /nfs/dbraw/zinc/00/98/95/202009895.db2.gz FMIJJUZNSQLZEY-SFHVURJKSA-N 2 0 317.477 2.728 20 0 DFADRP CCC[C@@H]([NH3+])C(=O)Nc1cc(C[NH+]2CCSCC2)ccc1C ZINC000236795526 202014434 /nfs/dbraw/zinc/01/44/34/202014434.db2.gz SVENWQRMILNCOJ-OAHLLOKOSA-N 2 0 321.490 2.610 20 0 DFADRP C[NH+](C)CCN1CCC([NH2+][C@H]2CCC[C@@H](C(F)(F)F)C2)CC1 ZINC000129250691 283007926 /nfs/dbraw/zinc/00/79/26/283007926.db2.gz KSXMOQJILHDXOI-HIFRSBDPSA-N 2 0 321.431 2.723 20 0 DFADRP CC(C)[C@H](C(=O)Nc1ccc(OCCC[NH+](C)C)cc1)[NH+](C)C ZINC000110767895 398724569 /nfs/dbraw/zinc/72/45/69/398724569.db2.gz REIGLHYNGGNXRH-QGZVFWFLSA-N 2 0 321.465 2.542 20 0 DFADRP CC1CC[NH+](C[C@H](O)C[NH2+][C@@H]2CCC[C@H](C(F)(F)F)C2)CC1 ZINC000129816046 283029175 /nfs/dbraw/zinc/02/91/75/283029175.db2.gz XOGBFKLXMSQVJP-RRFJBIMHSA-N 2 0 322.415 2.790 20 0 DFADRP CCCN(C(=O)[C@H]([NH3+])CC)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000130366561 283047212 /nfs/dbraw/zinc/04/72/12/283047212.db2.gz CLEAVZRENVQVSR-QZTJIDSGSA-N 2 0 317.477 2.627 20 0 DFADRP CC1CC[NH+](Cc2ccc(NC(=O)C[C@@H]3CC[NH2+]C3)cc2)CC1 ZINC000130381603 283047724 /nfs/dbraw/zinc/04/77/24/283047724.db2.gz DDTGDDGBOQWPPB-KRWDZBQOSA-N 2 0 315.461 2.857 20 0 DFADRP C[NH+](C)Cc1ccc(C(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)cc1 ZINC000073411109 191314323 /nfs/dbraw/zinc/31/43/23/191314323.db2.gz MTIAWWDNLAZUDK-UHFFFAOYSA-N 2 0 317.477 2.787 20 0 DFADRP C[C@H](C[NH2+][C@H]1CC[C@H](c2ccccc2)C1)CN1CC[NH+](C)CC1 ZINC000131189215 283075072 /nfs/dbraw/zinc/07/50/72/283075072.db2.gz DKBWBZLSMXGKNJ-HOJAQTOUSA-N 2 0 315.505 2.796 20 0 DFADRP CC[NH+](CC)[C@@H](CNC(=O)CC1CC[NH2+]CC1)c1ccsc1 ZINC000236820319 202025458 /nfs/dbraw/zinc/02/54/58/202025458.db2.gz QPOJFEIHDAGCCA-INIZCTEOSA-N 2 0 323.506 2.637 20 0 DFADRP OC1CCC([NH2+]Cc2ccc(OCC[NH+]3CCCC3)cc2)CC1 ZINC000073649720 191337189 /nfs/dbraw/zinc/33/71/89/191337189.db2.gz BXQUCXYYDCVZMX-UHFFFAOYSA-N 2 0 318.461 2.554 20 0 DFADRP C[NH2+]Cc1ccccc1NC(=O)N[C@H](C)C[NH+]1CCCCCC1 ZINC000415918126 295901788 /nfs/dbraw/zinc/90/17/88/295901788.db2.gz FEMQTASVHRPIBN-OAHLLOKOSA-N 2 0 318.465 2.792 20 0 DFADRP CC(C)[NH+]1CCC([NH2+][C@@H](C)c2ccc(NC(N)=O)cc2)CC1 ZINC000236820925 202025844 /nfs/dbraw/zinc/02/58/44/202025844.db2.gz INFMSEDLKLRHJB-ZDUSSCGKSA-N 2 0 304.438 2.701 20 0 DFADRP CCOCCC[N@@H+]1CC[C@@H](NCc2cccnc2C)[C@H](C)C1 ZINC000115628383 398754241 /nfs/dbraw/zinc/75/42/41/398754241.db2.gz OWUYXKGBAQMJNF-CRAIPNDOSA-N 2 0 305.466 2.617 20 0 DFADRP C[NH2+]Cc1ccc(NC(=O)NCC[C@H](C)[NH+]2CCCCC2)cc1 ZINC000415987765 295909186 /nfs/dbraw/zinc/90/91/86/295909186.db2.gz YKSMNZLFNMSBGZ-HNNXBMFYSA-N 2 0 318.465 2.792 20 0 DFADRP CC[NH+](CC)[C@H](C(=O)NC[C@@H](C)[NH+]1CCCC1)c1ccccc1 ZINC000591430227 398759180 /nfs/dbraw/zinc/75/91/80/398759180.db2.gz CRLOKABDOIGMKE-AEFFLSMTSA-N 2 0 317.477 2.670 20 0 DFADRP Cc1nn(C)c2ncc(C[NH2+][C@H](CC[NH+](C)C)C(C)(C)C)cc12 ZINC000116379317 398760331 /nfs/dbraw/zinc/76/03/31/398760331.db2.gz QDSZPAOPSBBVND-MRXNPFEDSA-N 2 0 317.481 2.733 20 0 DFADRP C[C@@H]([NH2+][C@@H](C)C1CC[NH+](C)CC1)[C@@H](c1ccccc1)N(C)C ZINC000681138225 545603077 /nfs/dbraw/zinc/60/30/77/545603077.db2.gz FXLVBNUQEWGFRT-FCEWJHQRSA-N 2 0 303.494 2.998 20 0 DFADRP CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@H]2CCC[NH2+]CC2)c2ccccc21 ZINC000591578219 398773275 /nfs/dbraw/zinc/77/32/75/398773275.db2.gz AHBNMQMOCIFTSL-QGTPRVQTSA-N 2 0 316.445 2.900 20 0 DFADRP CCC[N@H+](C)C[C@H]1CC[NH+](CCC(=O)Nc2ccccc2C)C1 ZINC000081516908 192275605 /nfs/dbraw/zinc/27/56/05/192275605.db2.gz DTLHFYQDWBSFOP-QGZVFWFLSA-N 2 0 317.477 2.987 20 0 DFADRP CC[NH+]1CCC(CCNC(=O)[C@@H](C)[C@@H]([NH3+])c2ccccc2)CC1 ZINC000236851577 202036940 /nfs/dbraw/zinc/03/69/40/202036940.db2.gz GRVMVOPYLPFSPE-MAUKXSAKSA-N 2 0 317.477 2.561 20 0 DFADRP CC[NH+](CC)[C@H](C(=O)N1CCC[C@H](C[NH2+]C)C1)c1ccccc1 ZINC000236864264 202041635 /nfs/dbraw/zinc/04/16/35/202041635.db2.gz KSSPIZBZTJAVRH-AEFFLSMTSA-N 2 0 317.477 2.528 20 0 DFADRP CC[NH+](CC)CCN(CC(C)C)C(=O)c1ccc(C[NH3+])cc1 ZINC000236861400 202042329 /nfs/dbraw/zinc/04/23/29/202042329.db2.gz FEKJPJKJQWUYBO-UHFFFAOYSA-N 2 0 305.466 2.585 20 0 DFADRP CC[C@H](C)[C@H]([NH3+])C(=O)NCc1ccccc1C[NH+](CC)CC ZINC000236888731 202054295 /nfs/dbraw/zinc/05/42/95/202054295.db2.gz RDPDXFVYGXHMCA-YOEHRIQHSA-N 2 0 305.466 2.518 20 0 DFADRP CC[NH+](CC)[C@H](CNC(=O)[C@@H]([NH3+])CC(C)C)c1ccccc1 ZINC000236879315 202049912 /nfs/dbraw/zinc/04/99/12/202049912.db2.gz HUSXUXHDHHJDGQ-DLBZAZTESA-N 2 0 305.466 2.559 20 0 DFADRP CCC[C@@H]1[C@@H](C)CCC[N@@H+]1CC(=O)NC1CC[NH+](C(C)C)CC1 ZINC000464729277 299246312 /nfs/dbraw/zinc/24/63/12/299246312.db2.gz DIJMYPDNDKXXPU-FUHWJXTLSA-N 2 0 323.525 2.876 20 0 DFADRP CCC[C@H]([NH3+])C(=O)NCc1ccc(C[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000236886887 202052303 /nfs/dbraw/zinc/05/23/03/202052303.db2.gz LNUAXVSODHIPPU-YJBOKZPZSA-N 2 0 317.477 2.805 20 0 DFADRP CC[NH+](CC)Cc1ccccc1CNC(=O)[C@@H]([NH3+])C(C)(C)C ZINC000236907451 202064478 /nfs/dbraw/zinc/06/44/78/202064478.db2.gz HFMQCORXKWTBIH-MRXNPFEDSA-N 2 0 305.466 2.518 20 0 DFADRP CCN1CC[NH+](CCCC[NH2+]Cc2cccc3cc[nH]c32)CC1 ZINC000236939737 202082537 /nfs/dbraw/zinc/08/25/37/202082537.db2.gz HBYACSIYLUUIBF-UHFFFAOYSA-N 2 0 314.477 2.675 20 0 DFADRP CC[NH+](CC)Cc1cccc(CNC(=O)[C@@]2(C)CCCC[NH2+]2)c1 ZINC000236923588 202073067 /nfs/dbraw/zinc/07/30/67/202073067.db2.gz ZVKQAZPEFQTTLE-LJQANCHMSA-N 2 0 317.477 2.677 20 0 DFADRP CC[C@@]1(C(=O)NCC[C@H](C)[N@H+](C)Cc2ccccc2)CCC[NH2+]1 ZINC000134617024 283194495 /nfs/dbraw/zinc/19/44/95/283194495.db2.gz RXIOOLNHHABFIQ-LPHOPBHVSA-N 2 0 317.477 2.545 20 0 DFADRP CC[C@@H](C)[C@@H]([NH3+])C(=O)NCc1ccccc1C[NH+](CC)CC ZINC000236985971 202109022 /nfs/dbraw/zinc/10/90/22/202109022.db2.gz RDPDXFVYGXHMCA-RHSMWYFYSA-N 2 0 305.466 2.518 20 0 DFADRP CC[N@H+](Cc1ccc(C(=O)NC2(C[NH3+])CCCC2)cc1)C(C)C ZINC000236994244 202113305 /nfs/dbraw/zinc/11/33/05/202113305.db2.gz CYSXRYUIBMDBOV-UHFFFAOYSA-N 2 0 317.477 2.918 20 0 DFADRP CC[C@H](C)[C@H]([NH3+])C(=O)NC1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC000237019920 202124949 /nfs/dbraw/zinc/12/49/49/202124949.db2.gz NMGHJRZHYMYACZ-DAYGRLMNSA-N 2 0 317.477 2.702 20 0 DFADRP CCC[NH+](CCC)CCCC(=O)N1CCC2(CC[NH2+]CC2)CC1 ZINC000357871213 283208820 /nfs/dbraw/zinc/20/88/20/283208820.db2.gz ZFAXNADPXDXBAM-UHFFFAOYSA-N 2 0 323.525 2.881 20 0 DFADRP CCC[NH+](CCC)CCCC(=O)N(C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000247278080 283209129 /nfs/dbraw/zinc/20/91/29/283209129.db2.gz FUFNWKRXOFPPLP-IRXDYDNUSA-N 2 0 311.514 2.830 20 0 DFADRP C[NH+](C)[C@@H](CC(=O)NC(C)(C)C[NH+]1CCCC1)c1ccccc1 ZINC000416248693 295934316 /nfs/dbraw/zinc/93/43/16/295934316.db2.gz TVULYHNWWLNKIV-KRWDZBQOSA-N 2 0 317.477 2.670 20 0 DFADRP CCC[NH+]1CCC([NH2+]CCCn2cnc3ccccc32)CC1 ZINC000122869113 398794048 /nfs/dbraw/zinc/79/40/48/398794048.db2.gz OKJGLKWOCVXNLP-UHFFFAOYSA-N 2 0 300.450 2.890 20 0 DFADRP C[NH2+]CCCC(=O)NCc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000237185229 202180082 /nfs/dbraw/zinc/18/00/82/202180082.db2.gz GQRIEOPEDUVFBI-MRXNPFEDSA-N 2 0 317.477 2.534 20 0 DFADRP C[NH2+]C[C@@H](C)C(=O)NCc1cccc(C[NH+]2CCCCCC2)c1 ZINC000237219918 202193346 /nfs/dbraw/zinc/19/33/46/202193346.db2.gz JCGNAAQETDSRBH-MRXNPFEDSA-N 2 0 317.477 2.534 20 0 DFADRP CCC[C@@H]([NH2+]C(C)C)C(=O)N1CC[NH+](C2CCCCC2)CC1 ZINC000354925654 535360915 /nfs/dbraw/zinc/36/09/15/535360915.db2.gz ZNUWXIVRWOWJFD-QGZVFWFLSA-N 2 0 309.498 2.630 20 0 DFADRP CC[NH+](CC)[C@@H](C(=O)N1CCC([C@@H](C)[NH3+])CC1)c1ccccc1 ZINC000178824706 198936477 /nfs/dbraw/zinc/93/64/77/198936477.db2.gz RXMNCZXFVKWHQY-CRAIPNDOSA-N 2 0 317.477 2.655 20 0 DFADRP COC[C@@H](Cc1ccccc1)[NH2+]C[C@H](C)C[NH+]1CCCCC1 ZINC000125609478 398807796 /nfs/dbraw/zinc/80/77/96/398807796.db2.gz HZSUHYLYVNGATJ-PKOBYXMFSA-N 2 0 304.478 2.956 20 0 DFADRP OCC[NH+]1CCC(C[NH2+][C@H]2CCc3cc(Cl)ccc32)CC1 ZINC000151871646 283299842 /nfs/dbraw/zinc/29/98/42/283299842.db2.gz JVNTVMTTZIHWRV-KRWDZBQOSA-N 2 0 308.853 2.621 20 0 DFADRP COC(=O)C[C@@H]1CC[C@H]([NH2+]C2CCC(C[NH+](C)C)CC2)[C@@H]1C ZINC000354487146 291119773 /nfs/dbraw/zinc/11/97/73/291119773.db2.gz ZBSPPNUMXCXAOJ-XRQWDYAESA-N 2 0 310.482 2.674 20 0 DFADRP Cc1cc(C)cc(C[NH+]2CCC(C[NH+]3CCOCC3)CC2)c1 ZINC000051958558 398828265 /nfs/dbraw/zinc/82/82/65/398828265.db2.gz BSIAGVDUGNAUBT-UHFFFAOYSA-N 2 0 302.462 2.848 20 0 DFADRP C[C@@H](c1ccc(F)cc1)[NH+]1CCC(C[NH+]2CCOCC2)CC1 ZINC000051959003 398828390 /nfs/dbraw/zinc/82/83/90/398828390.db2.gz UVCIWJJGWYIWIV-HNNXBMFYSA-N 2 0 306.425 2.931 20 0 DFADRP CC[C@H]([NH2+]C1CCN(CC[NH+](C)C)CC1)c1ccccc1F ZINC000180077964 199114498 /nfs/dbraw/zinc/11/44/98/199114498.db2.gz SIDMWBBZLUCMHL-SFHVURJKSA-N 2 0 307.457 2.892 20 0 DFADRP COc1ccc(COCC[N@@H+]2CCC[C@H](n3ccnc3)C2)cc1 ZINC000594732908 398851350 /nfs/dbraw/zinc/85/13/50/398851350.db2.gz QELUGLHROBIWPY-KRWDZBQOSA-N 2 0 315.417 2.745 20 0 DFADRP CCOC(=O)c1ccc(C[NH+]2CCC([C@H]3CCC[NH2+]C3)CC2)o1 ZINC000594735200 398852141 /nfs/dbraw/zinc/85/21/41/398852141.db2.gz HOOKGGNZMTWMGE-HNNXBMFYSA-N 2 0 320.433 2.668 20 0 DFADRP COc1cc([C@H](C)[NH2+]CCCC[NH+]2CCN(C)CC2)ccc1F ZINC000152893518 283344355 /nfs/dbraw/zinc/34/43/55/283344355.db2.gz GZABLAAEWMCDTK-HNNXBMFYSA-N 2 0 323.456 2.513 20 0 DFADRP COC(=O)[C@@H]1C[C@@H]1[C@H](C)[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000594935618 398875677 /nfs/dbraw/zinc/87/56/77/398875677.db2.gz GSAOADOEHDIRFT-IAOVAPTHSA-N 2 0 308.466 2.571 20 0 DFADRP O[C@H]1CC[N@H+](Cc2ccccc2C[NH2+]C[C@@H]2CC=CCC2)C1 ZINC000180996267 199238546 /nfs/dbraw/zinc/23/85/46/199238546.db2.gz JJWQNOBJTIOSEJ-APWZRJJASA-N 2 0 300.446 2.699 20 0 DFADRP CC[C@H](C)[C@H](C)[NH2+]Cc1ccc(C(=O)NCC[NH+](C)C)cc1 ZINC000180998708 199238718 /nfs/dbraw/zinc/23/87/18/199238718.db2.gz XWXVHSOJQIRNNM-GJZGRUSLSA-N 2 0 305.466 2.502 20 0 DFADRP COC(=O)CC(C)(C)C[C@H](C)[NH2+]C1CC[NH+](C2CCC2)CC1 ZINC000595013675 398891789 /nfs/dbraw/zinc/89/17/89/398891789.db2.gz JYZCRFYIQKSVNP-AWEZNQCLSA-N 2 0 310.482 2.961 20 0 DFADRP C[C@H]([NH2+]CCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1)c1cncc(F)c1 ZINC000178039372 299290234 /nfs/dbraw/zinc/29/02/34/299290234.db2.gz UOVULTHNAVFXGU-ZNMIVQPWSA-N 2 0 309.429 2.761 20 0 DFADRP COC(=O)CC(C)(C)C[C@H](C)[NH2+]C1CC([NH+]2CCCCC2)C1 ZINC000595055095 398898769 /nfs/dbraw/zinc/89/87/69/398898769.db2.gz RURGOXLBUPHYHB-FHERZECASA-N 2 0 310.482 2.961 20 0 DFADRP CC(C)C1CCC([NH+]2CCN(C[C@H]3CCC[NH2+]C3)CC2)CC1 ZINC000469972156 299291093 /nfs/dbraw/zinc/29/10/93/299291093.db2.gz JSLMEIMCMIZYCT-VIQWUECVSA-N 2 0 307.526 2.818 20 0 DFADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]CC2(SCC)CC2)[C@@H](C)C1 ZINC000595098227 398904363 /nfs/dbraw/zinc/90/43/63/398904363.db2.gz DZIINMKKZMTMGE-HOTGVXAUSA-N 2 0 314.539 2.999 20 0 DFADRP C[C@@H](CC[NH2+]C1CCN(CC(F)(F)F)CC1)[NH+]1CCCCC1 ZINC000183226674 283454322 /nfs/dbraw/zinc/45/43/22/283454322.db2.gz KWJWZHKZCZIMFD-AWEZNQCLSA-N 2 0 321.431 2.867 20 0 DFADRP CC(C)[C@H](Cc1ccccc1)[NH2+]C[C@H](C)CN1CC[NH+](C)CC1 ZINC000187159205 200069715 /nfs/dbraw/zinc/06/97/15/200069715.db2.gz KPGFFOIZRFGZOD-ICSRJNTNSA-N 2 0 317.521 2.727 20 0 DFADRP COC(=O)CC1CCC([NH2+]C2CC[NH+](CC3CC3)CC2)CC1 ZINC000599025480 398909922 /nfs/dbraw/zinc/90/99/22/398909922.db2.gz OYPHEQZDOQCDGZ-UHFFFAOYSA-N 2 0 308.466 2.572 20 0 DFADRP C[NH+]1CCN(CCC[NH2+][C@H]2CC[C@](C)(c3ccccc3)C2)CC1 ZINC000187710447 200147425 /nfs/dbraw/zinc/14/74/25/200147425.db2.gz MYAJZUWRLUIVCM-PMACEKPBSA-N 2 0 315.505 2.724 20 0 DFADRP C[NH+]1CCN(CCC[NH2+][C@H]2CC[C@@](C)(c3ccccc3)C2)CC1 ZINC000187710467 200147835 /nfs/dbraw/zinc/14/78/35/200147835.db2.gz MYAJZUWRLUIVCM-VQTJNVASSA-N 2 0 315.505 2.724 20 0 DFADRP CC[C@@H]([NH2+]C1CCN(CC[NH+](C)C)CC1)c1cccc(F)c1 ZINC000187750614 200152971 /nfs/dbraw/zinc/15/29/71/200152971.db2.gz AAOLWGYQFWJTIM-GOSISDBHSA-N 2 0 307.457 2.892 20 0 DFADRP C[C@H]([NH2+]C(C)(C)CNC(=O)[C@]1(C)CCCC[NH2+]1)c1ccccc1 ZINC000237511839 202266450 /nfs/dbraw/zinc/26/64/50/202266450.db2.gz DSBNUGCEZANNJU-KXBFYZLASA-N 2 0 317.477 2.764 20 0 DFADRP CC[NH+](CC)[C@H](CNC(=O)c1c[nH+]ccc1N)c1ccsc1 ZINC000188070717 200189985 /nfs/dbraw/zinc/18/99/85/200189985.db2.gz RLXLGWBFSICJQW-OAHLLOKOSA-N 2 0 318.446 2.538 20 0 DFADRP CC[NH+]1CCN([C@@H]2CC[N@H+](C[C@@H]3CCCCC3(C)C)C2)CC1 ZINC000595311501 398921167 /nfs/dbraw/zinc/92/11/67/398921167.db2.gz HFJUNPMMJFNNOT-ZWKOTPCHSA-N 2 0 307.526 2.915 20 0 DFADRP [NH3+]C1(CNC(=O)c2cccc(C[NH+]3CCCC3)c2)CCCCC1 ZINC000237779090 202353058 /nfs/dbraw/zinc/35/30/58/202353058.db2.gz UAQRZGVWCHZWMN-UHFFFAOYSA-N 2 0 315.461 2.674 20 0 DFADRP CC(C)[NH+]1CCN([C@H]2CC[N@@H+]([C@@H]3C[C@@H]3c3ccccc3)C2)CC1 ZINC000595338489 398924231 /nfs/dbraw/zinc/92/42/31/398924231.db2.gz MSSVEQSJGGAIBO-XUVXKRRUSA-N 2 0 313.489 2.643 20 0 DFADRP [NH3+][C@H](CC(=O)NCCCCC[NH+]1CCCCC1)c1ccccc1 ZINC000237850721 202371159 /nfs/dbraw/zinc/37/11/59/202371159.db2.gz KDXXEIFLSNDNMV-GOSISDBHSA-N 2 0 317.477 2.849 20 0 DFADRP [NH3+]C1(C(=O)N2CCC[C@@H](C[NH+]3CCCCCC3)C2)CCCCC1 ZINC000237885476 202378891 /nfs/dbraw/zinc/37/88/91/202378891.db2.gz XKMIDLKKAHOVAW-KRWDZBQOSA-N 2 0 321.509 2.763 20 0 DFADRP C[NH+]1CCN(CCC[NH2+][C@H]2CC[C@H](Cc3ccccc3)C2)CC1 ZINC000189008242 200334668 /nfs/dbraw/zinc/33/46/68/200334668.db2.gz URHFEYYDTBGZOI-UXHICEINSA-N 2 0 315.505 2.625 20 0 DFADRP C[C@H]([NH2+]CCN1CCC([NH+](C)C)CC1)[C@@H]1C[C@H]1c1cccs1 ZINC000417311939 296009030 /nfs/dbraw/zinc/00/90/30/296009030.db2.gz MQQPAWRUHBWJMT-BHYGNILZSA-N 2 0 321.534 2.856 20 0 DFADRP OC[C@H]1CCC[N@@H+]1CCCC[NH2+]Cc1ccc(Cl)cc1F ZINC000189331132 200382931 /nfs/dbraw/zinc/38/29/31/200382931.db2.gz NYBMCKKIBGSOOA-OAHLLOKOSA-N 2 0 314.832 2.806 20 0 DFADRP CCC(O)(CC)CC[NH2+]Cc1cn(-c2cc[nH+]cc2)nc1C ZINC000471827462 299308597 /nfs/dbraw/zinc/30/85/97/299308597.db2.gz ZAGNWMWPHJMCHU-UHFFFAOYSA-N 2 0 302.422 2.607 20 0 DFADRP CN(C)C1(C[NH2+][C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)CC1 ZINC000417351453 296012857 /nfs/dbraw/zinc/01/28/57/296012857.db2.gz CPTZFKCDMIMEIG-IPMKNSEASA-N 2 0 313.489 2.581 20 0 DFADRP COC(=O)CCCC[N@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000599302766 398951498 /nfs/dbraw/zinc/95/14/98/398951498.db2.gz JUDMGLIEGNLWRN-SFHVURJKSA-N 2 0 318.461 2.784 20 0 DFADRP CC[NH+](CC)[C@@H](CNC(=O)[C@@H]1CCCC[N@@H+]1C)c1ccsc1 ZINC000599310002 398952484 /nfs/dbraw/zinc/95/24/84/398952484.db2.gz BVWFWLZARFKFSV-HOTGVXAUSA-N 2 0 323.506 2.732 20 0 DFADRP CCOC(=O)CC(C)(C)CC[N@@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC000595504657 398952594 /nfs/dbraw/zinc/95/25/94/398952594.db2.gz LNXDGQQWOQHQQS-GOSISDBHSA-N 2 0 310.482 2.774 20 0 DFADRP C[NH+]1CCN(CCC[NH2+][C@@H](c2ccc(F)cc2)C2CC2)CC1 ZINC000271892977 209300920 /nfs/dbraw/zinc/30/09/20/209300920.db2.gz WLYINXNRQZARAL-GOSISDBHSA-N 2 0 305.441 2.504 20 0 DFADRP Cc1ccc(C[NH+]2CCSCC2)cc1NC(=O)CC[C@@H](C)[NH3+] ZINC000193307608 201025639 /nfs/dbraw/zinc/02/56/39/201025639.db2.gz LRVBUXSCDHTLDG-CQSZACIVSA-N 2 0 321.490 2.610 20 0 DFADRP Cc1cc(C[NH+]2CCSCC2)ccc1NC(=O)CC[C@@H](C)[NH3+] ZINC000193307585 201025794 /nfs/dbraw/zinc/02/57/94/201025794.db2.gz BUXSXOLAJIDGCM-CQSZACIVSA-N 2 0 321.490 2.610 20 0 DFADRP C[C@@H]([NH3+])CCC(=O)NCc1cccc(C[NH+]2CCCCCC2)c1 ZINC000193306082 201026198 /nfs/dbraw/zinc/02/61/98/201026198.db2.gz QFCYEPGJRFSYDF-MRXNPFEDSA-N 2 0 317.477 2.806 20 0 DFADRP CC[NH+]1CCN([C@@H]2CC[N@H+](Cc3ccc(C)c(Cl)c3)C2)CC1 ZINC000193886933 201139145 /nfs/dbraw/zinc/13/91/45/201139145.db2.gz MFTHFVJVIDFQKS-QGZVFWFLSA-N 2 0 321.896 2.860 20 0 DFADRP CC[NH+]1CCN([C@H]2CC[N@H+](CC[C@@H](C)c3ccccc3)C2)CC1 ZINC000193886976 201139240 /nfs/dbraw/zinc/13/92/40/201139240.db2.gz RAGVKBWUAYLAAI-QUCCMNQESA-N 2 0 315.505 2.892 20 0 DFADRP c1ccc(CSCC[NH2+]CCCC[NH+]2CCOCC2)cc1 ZINC000193902229 201142307 /nfs/dbraw/zinc/14/23/07/201142307.db2.gz LMHANPIBGCRHCW-UHFFFAOYSA-N 2 0 308.491 2.622 20 0 DFADRP Cn1c(C[NH2+]CC2=CC[N@H+](C)CC2)nc2ccc(Cl)cc21 ZINC000271864622 209279028 /nfs/dbraw/zinc/27/90/28/209279028.db2.gz VUFDOAJCOWSJQR-UHFFFAOYSA-N 2 0 304.825 2.578 20 0 DFADRP CN(C)C(=O)c1ccccc1C[NH+]1CCC(CC[NH+](C)C)CC1 ZINC000417738731 296045706 /nfs/dbraw/zinc/04/57/06/296045706.db2.gz PLKYFVMKJPJLQS-UHFFFAOYSA-N 2 0 317.477 2.552 20 0 DFADRP Cc1ccc(C[NH2+]CCCC[N@@H+]2CCC[C@@H]2CO)cc1Cl ZINC000195442559 201390578 /nfs/dbraw/zinc/39/05/78/201390578.db2.gz NYPCRCGLTUPVAG-MRXNPFEDSA-N 2 0 310.869 2.975 20 0 DFADRP COc1cccc(C[NH2+]CC2=CC[N@H+](C)CC2)c1OC(F)F ZINC000271846960 209264016 /nfs/dbraw/zinc/26/40/16/209264016.db2.gz SBJVPGFCSIZDGL-UHFFFAOYSA-N 2 0 312.360 2.648 20 0 DFADRP CC(C)[C@H]([NH3+])CCN(C)C(=O)NCCC[NH+](C(C)C)C(C)C ZINC000417805219 296053002 /nfs/dbraw/zinc/05/30/02/296053002.db2.gz YHZWXCZQMSBFMU-MRXNPFEDSA-N 2 0 314.518 2.510 20 0 DFADRP CCC[N@@H+](CC(=O)NC[C@H](c1ccccc1)[NH+](C)C)CC(C)C ZINC000475016773 299340899 /nfs/dbraw/zinc/34/08/99/299340899.db2.gz IDWLGHMXSQFLLW-GOSISDBHSA-N 2 0 319.493 2.774 20 0 DFADRP O=C(CC[C@H]1CCC[NH2+]C1)NCCCCC[NH+]1CCCCC1 ZINC000621648113 399007615 /nfs/dbraw/zinc/00/76/15/399007615.db2.gz RMAPNXAGMRFIEN-QGZVFWFLSA-N 2 0 309.498 2.539 20 0 DFADRP O=C(CC[C@H]1CCC[NH2+]C1)NC1CC[NH+](C2CCCCC2)CC1 ZINC000621651361 399009174 /nfs/dbraw/zinc/00/91/74/399009174.db2.gz KQTWTUPTPQSPFS-MRXNPFEDSA-N 2 0 321.509 2.680 20 0 DFADRP Cc1nn(C)c2ncc(C[NH2+]CCCCC[NH+]3CCCC3)cc12 ZINC000292971284 223331530 /nfs/dbraw/zinc/33/15/30/223331530.db2.gz KITRHJBDOAGKDC-UHFFFAOYSA-N 2 0 315.465 2.632 20 0 DFADRP CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@H](C)[NH2+]C(C)(C)CC ZINC000475925074 299351124 /nfs/dbraw/zinc/35/11/24/299351124.db2.gz FHMYSUUZLQNAAP-JKSUJKDBSA-N 2 0 311.514 2.924 20 0 DFADRP CC[NH+]1CCN([C@H](C)C[NH2+][C@@H](c2ccccc2)C2CC2)CC1 ZINC000091285552 193031329 /nfs/dbraw/zinc/03/13/29/193031329.db2.gz JBBPHTANJOCUPZ-APWZRJJASA-N 2 0 301.478 2.753 20 0 DFADRP C[C@@H](C[NH2+][C@@H](c1ccccc1)C1CC1)CN1CC[NH+](C)CC1 ZINC000091320546 193039815 /nfs/dbraw/zinc/03/98/15/193039815.db2.gz ONJOPNWAOCBWQF-LPHOPBHVSA-N 2 0 301.478 2.611 20 0 DFADRP COCCOCC[N@H+](C)C1CC[NH+](C2CCC(C)CC2)CC1 ZINC000079425091 399042177 /nfs/dbraw/zinc/04/21/77/399042177.db2.gz PABHFPYBKCIKBW-UHFFFAOYSA-N 2 0 312.498 2.624 20 0 DFADRP CCOc1cncc(CN2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000621719279 399045703 /nfs/dbraw/zinc/04/57/03/399045703.db2.gz HPXVSYPPGBRDPP-QFBILLFUSA-N 2 0 315.461 2.929 20 0 DFADRP CCCC[C@H](C[NH3+])NC(=O)NC[C@H]([NH3+])c1ccc(C(C)C)cc1 ZINC000418359737 296088281 /nfs/dbraw/zinc/08/82/81/296088281.db2.gz SHBMJFPKMLNVCQ-SJORKVTESA-N 2 0 320.481 2.627 20 0 DFADRP C[C@@H](CC(=O)N1CCCCCC1)[NH2+]CC(C)(C)C[NH+]1CCCC1 ZINC000477925946 299364196 /nfs/dbraw/zinc/36/41/96/299364196.db2.gz FDVPHYTYYAUFFM-KRWDZBQOSA-N 2 0 323.525 2.879 20 0 DFADRP CCc1ccc([C@@H]([NH2+]CC2(O)CC[NH+](C)CC2)C(C)C)cc1 ZINC000271774229 209202821 /nfs/dbraw/zinc/20/28/21/209202821.db2.gz UUICJJIXJNLBDE-SFHVURJKSA-N 2 0 304.478 2.992 20 0 DFADRP CC(=O)N1CC[C@@H]([NH2+]CC[C@@H]2CCC[N@@H+](C)C2)c2ccccc21 ZINC000621763132 399071632 /nfs/dbraw/zinc/07/16/32/399071632.db2.gz RCPBCIRROHTVKG-FUHWJXTLSA-N 2 0 315.461 2.806 20 0 DFADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NCC1CC[NH+](CCC(C)C)CC1 ZINC000079655162 399072371 /nfs/dbraw/zinc/07/23/71/399072371.db2.gz OGDBPEIGFHYLKZ-GOSISDBHSA-N 2 0 323.525 2.735 20 0 DFADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]CC[C@@H]2CC2(F)F)[C@H](C)C1 ZINC000621768373 399073673 /nfs/dbraw/zinc/07/36/73/399073673.db2.gz OBHKAPYVHCIIDN-KFWWJZLASA-N 2 0 304.425 2.758 20 0 DFADRP COc1nc(C)cc(C)c1C[N@H+](C)CCCC1CC[NH2+]CC1 ZINC000621778680 399075547 /nfs/dbraw/zinc/07/55/47/399075547.db2.gz TYBQTUZWOFIMNX-UHFFFAOYSA-N 2 0 305.466 2.919 20 0 DFADRP CCC[NH+]1CCC([N@H+](C)Cc2ccc(-n3cncn3)cc2)CC1 ZINC000092165820 193169405 /nfs/dbraw/zinc/16/94/05/193169405.db2.gz MTVHZQZDNWHEDP-UHFFFAOYSA-N 2 0 313.449 2.574 20 0 DFADRP C[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@H]21)c1ccc([S@](C)=O)cc1 ZINC000353648230 299385915 /nfs/dbraw/zinc/38/59/15/299385915.db2.gz UMBFEPGPJGQDNA-NBQUVAEPSA-N 2 0 320.502 2.947 20 0 DFADRP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]C[C@H](c1ccccc1)C(C)(C)CO ZINC000305770070 284051941 /nfs/dbraw/zinc/05/19/41/284051941.db2.gz NGYHKMHYYKQSLX-NXHRZFHOSA-N 2 0 304.478 2.719 20 0 DFADRP Cc1[nH+]ccc(N2CCC[C@H](C[NH+]3CCOCC3)C2)c1Cl ZINC000336880754 284062828 /nfs/dbraw/zinc/06/28/28/284062828.db2.gz AGOIHYPPNZOGRC-CQSZACIVSA-N 2 0 309.841 2.592 20 0 DFADRP CC[C@H](C[NH+]1CCC(CC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1)OC ZINC000419218953 296128287 /nfs/dbraw/zinc/12/82/87/296128287.db2.gz SIGDXRYYBBXIHQ-JFIYKMOQSA-N 2 0 312.498 2.623 20 0 DFADRP CC[N@@H+]1CC[C@@H](C[NH2+][C@H](C)Cc2ccc(OC)c(OC)c2)C1 ZINC000261778964 203114528 /nfs/dbraw/zinc/11/45/28/203114528.db2.gz WRLHUUGZARMRAK-ZBFHGGJFSA-N 2 0 306.450 2.566 20 0 DFADRP CCc1ccc([C@@H]2C[NH2+]CCN2C(=O)CCCCCC[NH3+])cc1 ZINC000261794898 203117519 /nfs/dbraw/zinc/11/75/19/203117519.db2.gz QKRYRICYJDZANA-SFHVURJKSA-N 2 0 317.477 2.631 20 0 DFADRP C[C@H]([NH2+]C(C)(C)CNC(=O)CC[C@H]1CC[NH2+]C1)c1ccccc1 ZINC000261880081 203142454 /nfs/dbraw/zinc/14/24/54/203142454.db2.gz RTCPRLWFTZRQEM-HOTGVXAUSA-N 2 0 317.477 2.622 20 0 DFADRP COc1ccccc1COC1CC[NH+](CC2CC[NH2+]CC2)CC1 ZINC000261991244 203168839 /nfs/dbraw/zinc/16/88/39/203168839.db2.gz SJKGGSVYBLRMQZ-UHFFFAOYSA-N 2 0 318.461 2.676 20 0 DFADRP CC(C)[C@H](C[NH2+]Cc1cc(Cl)cs1)N1CC[NH+](C)CC1 ZINC000093094897 193203495 /nfs/dbraw/zinc/20/34/95/193203495.db2.gz OPRKKKJALBVYFP-HNNXBMFYSA-N 2 0 315.914 2.763 20 0 DFADRP CCC[C@](C)([NH3+])C(=O)NCC1CC[NH+](Cc2ccccc2)CC1 ZINC000262092633 203197214 /nfs/dbraw/zinc/19/72/14/203197214.db2.gz AVFWHTHIIORGCR-IBGZPJMESA-N 2 0 317.477 2.532 20 0 DFADRP C[C@H](CCNC(=O)[C@@H]1CCC[C@H]([NH3+])C1)[N@H+](C)Cc1ccccc1 ZINC000262282945 203250488 /nfs/dbraw/zinc/25/04/88/203250488.db2.gz LJGRVHGMECPJSP-NXHRZFHOSA-N 2 0 317.477 2.531 20 0 DFADRP Cc1ccc(C[NH+](C)C)cc1NC(=O)[C@]12C[NH2+]C[C@@H]1CCCC2 ZINC000262304526 203256166 /nfs/dbraw/zinc/25/61/66/203256166.db2.gz CAKQFVTTZGTAFG-QFBILLFUSA-N 2 0 315.461 2.775 20 0 DFADRP COC(=O)CCC[C@@H]1CCC[C@H]([NH2+][C@H]2CC[NH2+]C23CCC3)C1 ZINC000600711398 399120583 /nfs/dbraw/zinc/12/05/83/399120583.db2.gz SVVSDTTYWQTBHJ-JYJNAYRXSA-N 2 0 308.466 2.763 20 0 DFADRP COC(=O)CCC[C@@H]1CCC[C@@H]([NH2+][C@H]2CC[NH2+]C23CCC3)C1 ZINC000600711399 399120252 /nfs/dbraw/zinc/12/02/52/399120252.db2.gz SVVSDTTYWQTBHJ-XHSDSOJGSA-N 2 0 308.466 2.763 20 0 DFADRP COC(=O)CCC[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[NH2+]C23CCC3)C1 ZINC000600711397 399120697 /nfs/dbraw/zinc/12/06/97/399120697.db2.gz SVVSDTTYWQTBHJ-HRCADAONSA-N 2 0 308.466 2.763 20 0 DFADRP Cc1cc2ncc([C@@H](C)[NH2+]CCC3CC[NH+](C)CC3)c(C)n2n1 ZINC000093405338 193245760 /nfs/dbraw/zinc/24/57/60/193245760.db2.gz RHPUOYPZXUXLDC-CQSZACIVSA-N 2 0 315.465 2.729 20 0 DFADRP C[NH2+]C[C@@H](C)C(=O)NCc1ccc(C[N@@H+]2CCCC[C@H]2C)cc1 ZINC000262684308 203380041 /nfs/dbraw/zinc/38/00/41/203380041.db2.gz ZXEHVJCNFPECNR-HZPDHXFCSA-N 2 0 317.477 2.533 20 0 DFADRP C[C@H]([NH2+]CC1CCN(c2cc[nH+]cc2)CC1)[C@]1(C)CCCO1 ZINC000340270360 284165584 /nfs/dbraw/zinc/16/55/84/284165584.db2.gz AWDIVFOAYBDWDC-YJBOKZPZSA-N 2 0 303.450 2.845 20 0 DFADRP CCCC[N@H+](CC)Cc1cccc(CNC(=O)C(C)(C)[NH3+])c1 ZINC000262654197 203367766 /nfs/dbraw/zinc/36/77/66/203367766.db2.gz SXHKERSGPVVOFO-UHFFFAOYSA-N 2 0 305.466 2.662 20 0 DFADRP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccc(OCCOC)cc2)[C@H](C)C1 ZINC000093639605 193279688 /nfs/dbraw/zinc/27/96/88/193279688.db2.gz SBLSNKRZWMVNRD-VQIMIIECSA-N 2 0 320.477 2.874 20 0 DFADRP CCC[C@@](C)([NH3+])C(=O)NC[C@H](c1ccc(C)cc1)[NH+]1CCCC1 ZINC000262717035 203391493 /nfs/dbraw/zinc/39/14/93/203391493.db2.gz VZBLHMPUNXJVHF-IEBWSBKVSA-N 2 0 317.477 2.766 20 0 DFADRP C1=C[C@H]2C[C@@H]1C[C@@H]2C[NH+]1CCC(OCC[NH+]2CCCC2)CC1 ZINC000093734936 193298448 /nfs/dbraw/zinc/29/84/48/193298448.db2.gz PHXOWZBXWSPVDW-FGTMMUONSA-N 2 0 304.478 2.775 20 0 DFADRP C[C@H]1C[NH+](CCC2CC[NH+](Cc3cccn3C)CC2)C[C@H](C)O1 ZINC000093844461 193317389 /nfs/dbraw/zinc/31/73/89/193317389.db2.gz UXBLKRRZCKNXCH-IRXDYDNUSA-N 2 0 319.493 2.736 20 0 DFADRP COC(=O)c1ccccc1C[N@@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000595901248 399128120 /nfs/dbraw/zinc/12/81/20/399128120.db2.gz TWNLELBECAIHSD-INIZCTEOSA-N 2 0 316.445 2.685 20 0 DFADRP CCOc1cc2[nH+]ccc(N3CCC[C@H]([NH3+])C3)c2cc1OCC ZINC000420111241 296158710 /nfs/dbraw/zinc/15/87/10/296158710.db2.gz GIHOQAFHOVIPLI-ZDUSSCGKSA-N 2 0 315.417 2.960 20 0 DFADRP Cc1cc(N2CC[C@H](C[NH3+])C2)c2cc(OC(F)F)ccc2[nH+]1 ZINC000420166922 296160203 /nfs/dbraw/zinc/16/02/03/296160203.db2.gz IQUHKBOLOCFSJN-LLVKDONJSA-N 2 0 307.344 2.930 20 0 DFADRP COc1cc2c(cc1F)[nH+]ccc2N1CCC[C@@H](C)[C@@H]1C[NH3+] ZINC000420178305 296160644 /nfs/dbraw/zinc/16/06/44/296160644.db2.gz AUAQJNNBUUGYIE-BZNIZROVSA-N 2 0 303.381 2.946 20 0 DFADRP Cc1ccc2[nH+]ccc(NCCC[NH2+]Cc3cccnc3)c2c1 ZINC000420184419 296161061 /nfs/dbraw/zinc/16/10/61/296161061.db2.gz NNGFEGZCDAPCFJ-UHFFFAOYSA-N 2 0 306.413 2.952 20 0 DFADRP COc1cc2c(cc1F)[nH+]ccc2N1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000420185247 296161074 /nfs/dbraw/zinc/16/10/74/296161074.db2.gz KPSQFNYUKNYXJN-NEPJUHHUSA-N 2 0 303.381 2.946 20 0 DFADRP Cc1cc(NC[C@@H]2CC[NH2+]C2)c2cc(OC(F)F)ccc2[nH+]1 ZINC000420229309 296163913 /nfs/dbraw/zinc/16/39/13/296163913.db2.gz NPUZGMJCZFLPHD-LLVKDONJSA-N 2 0 307.344 2.588 20 0 DFADRP CCc1cc(NCC2(COC)CC[NH2+]CC2)c2ccccc2[nH+]1 ZINC000420238462 296164883 /nfs/dbraw/zinc/16/48/83/296164883.db2.gz JHGDPHBSGHSXEP-UHFFFAOYSA-N 2 0 313.445 2.647 20 0 DFADRP CCC[N@H+](CC)Cc1ccc(C(=O)NC[C@@H]2CC[NH+](C)C2)cc1 ZINC000264687272 204078729 /nfs/dbraw/zinc/07/87/29/204078729.db2.gz QCZYSFCECIBVIT-KRWDZBQOSA-N 2 0 317.477 2.600 20 0 DFADRP CCC[NH+]1CCC([N@H+](C)C[C@H](O)COc2ccccc2C)CC1 ZINC000264642865 204049787 /nfs/dbraw/zinc/04/97/87/204049787.db2.gz VTJZTUZHQHWEOD-SFHVURJKSA-N 2 0 320.477 2.541 20 0 DFADRP CCOc1cc2[nH+]ccc(NC[C@@H]([NH3+])CC)c2cc1OCC ZINC000420266539 296167449 /nfs/dbraw/zinc/16/74/49/296167449.db2.gz QVKKSUUCFJSTBR-LBPRGKRZSA-N 2 0 303.406 2.603 20 0 DFADRP Cc1cc(C)cc(NC(=O)[C@@H](C)N(C)CC[C@H]([NH3+])C(C)C)c1 ZINC000420284763 296169297 /nfs/dbraw/zinc/16/92/97/296169297.db2.gz DKQGEVBXHYHOTB-WBVHZDCISA-N 2 0 305.466 2.936 20 0 DFADRP OCCC[N@H+](CC[C@H]1CC[NH2+]C1)[C@@H]1CCCc2ccccc21 ZINC000420294604 296170436 /nfs/dbraw/zinc/17/04/36/296170436.db2.gz BJJDXYXAGXZOHT-VQIMIIECSA-N 2 0 302.462 2.748 20 0 DFADRP CC[N@H+](CC[C@@H]1CCC[NH2+]C1)[C@@H](COC)Cc1ccccc1 ZINC000420295219 296170575 /nfs/dbraw/zinc/17/05/75/296170575.db2.gz BXVFPVRQOIKKHT-RBUKOAKNSA-N 2 0 304.478 2.956 20 0 DFADRP C[C@H](c1ccc(Cl)cc1)[N@H+](CCN1CC[NH2+]CC1)C1CC1 ZINC000420295342 296170683 /nfs/dbraw/zinc/17/06/83/296170683.db2.gz AAEOFYGCVIXAAO-CQSZACIVSA-N 2 0 307.869 2.771 20 0 DFADRP O=C(Nc1ccccc1)C1CC[NH+](CC[C@H]2CCC[NH2+]C2)CC1 ZINC000420295843 296170616 /nfs/dbraw/zinc/17/06/16/296170616.db2.gz AZKFXKWCVYMPID-MRXNPFEDSA-N 2 0 315.461 2.727 20 0 DFADRP COc1cc(C[N@H+](C)CC[C@@H]2CC[NH2+]C2)c(SC)cc1OC ZINC000420297121 296170907 /nfs/dbraw/zinc/17/09/07/296170907.db2.gz FNCHXZDYAQZZJD-ZDUSSCGKSA-N 2 0 324.490 2.857 20 0 DFADRP CC[C@H](c1ccccc1)[C@H]1CCC[N@@H+]1CCN1CC[NH2+]CC1 ZINC000420297151 296170963 /nfs/dbraw/zinc/17/09/63/296170963.db2.gz FOSMVSBBYXMNCG-RTBURBONSA-N 2 0 301.478 2.550 20 0 DFADRP COc1ccccc1C[N@H+](CC[C@@H]1CC[NH2+]C1)C[C@@H]1CCCO1 ZINC000420297430 296171058 /nfs/dbraw/zinc/17/10/58/296171058.db2.gz DITSJFGLNVVWOF-WMZOPIPTSA-N 2 0 318.461 2.676 20 0 DFADRP CC[N@H+](CC[C@@H]1CCC[NH2+]C1)[C@H]1CCN(c2ccccc2)C1=O ZINC000420301112 296171699 /nfs/dbraw/zinc/17/16/99/296171699.db2.gz LAWNFWLSFRTKOQ-WMZOPIPTSA-N 2 0 315.461 2.504 20 0 DFADRP CCC[C@@H](C[NH+]1CCC([N@H+](C)CCO)CC1)c1ccccc1 ZINC000271739366 209171496 /nfs/dbraw/zinc/17/14/96/209171496.db2.gz QCRSFYIYTHRIJP-SFHVURJKSA-N 2 0 304.478 2.959 20 0 DFADRP COC(=O)CCC[N@@H+]1CCCC[C@H]1[C@H](C[NH3+])Cc1ccccc1 ZINC000420304599 296172317 /nfs/dbraw/zinc/17/23/17/296172317.db2.gz FDFLAYBHKWDVBG-ROUUACIJSA-N 2 0 318.461 2.612 20 0 DFADRP Cc1ccc([C@H]2[C@H](C)CCC[N@@H+]2CCN2CC[NH2+]CC2)cc1 ZINC000420306629 296172559 /nfs/dbraw/zinc/17/25/59/296172559.db2.gz QPKKMHCYSQXGLY-IEBWSBKVSA-N 2 0 301.478 2.673 20 0 DFADRP C[C@@H]1C[C@@H]2CCCC[C@@H]2[N@@H+]1C[C@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC000420312349 296173531 /nfs/dbraw/zinc/17/35/31/296173531.db2.gz WTXZGOBBXWMMEE-RFZNHBKKSA-N 2 0 302.462 2.570 20 0 DFADRP COc1ccc([C@H](C[NH3+])CN(CCC[NH3+])CC2CCCC2)cc1 ZINC000420314821 296173836 /nfs/dbraw/zinc/17/38/36/296173836.db2.gz LNPGIJPDPKWOPR-GOSISDBHSA-N 2 0 319.493 2.579 20 0 DFADRP CCN(C[C@H]1CC[N@H+](CC[C@H]2CCC[NH2+]C2)C1)CC(F)(F)F ZINC000420317860 296173969 /nfs/dbraw/zinc/17/39/69/296173969.db2.gz NHCJCKZSALFSIZ-HUUCEWRRSA-N 2 0 321.431 2.582 20 0 DFADRP c1ccc(CCCO[C@H]2CC[N@H+](CC[C@@H]3CC[NH2+]C3)C2)cc1 ZINC000420309030 296172994 /nfs/dbraw/zinc/17/29/94/296172994.db2.gz STXNYZSYOOHPIM-OALUTQOASA-N 2 0 302.462 2.710 20 0 DFADRP COC(=O)c1cc2cc(C[NH2+][C@](C)(C[NH3+])C(C)C)ccc2o1 ZINC000420317118 296174079 /nfs/dbraw/zinc/17/40/79/296174079.db2.gz NEXDAFQGQQATGH-QGZVFWFLSA-N 2 0 304.390 2.682 20 0 DFADRP Cc1cccc(NC(=O)[C@H](C)[N@@H+]2CCC[C@H](CC[NH3+])C2)c1C ZINC000420317494 296174236 /nfs/dbraw/zinc/17/42/36/296174236.db2.gz UOXJWICVVTUSKE-JKSUJKDBSA-N 2 0 303.450 2.691 20 0 DFADRP [NH3+][C@@H]1CCO[C@H]1C1CC[NH+](CCOc2cccc(Cl)c2)CC1 ZINC000420322784 296174946 /nfs/dbraw/zinc/17/49/46/296174946.db2.gz FKNCEZOIFWMMIF-SJORKVTESA-N 2 0 324.852 2.547 20 0 DFADRP [NH3+][C@@H]1CCO[C@H]1C1CC[NH+](Cc2cccc(C(F)F)c2)CC1 ZINC000420325842 296175579 /nfs/dbraw/zinc/17/55/79/296175579.db2.gz DKCZZANWCXELRT-CVEARBPZSA-N 2 0 310.388 2.952 20 0 DFADRP C[C@@H](c1cc(F)ccc1F)[NH+]1CCC([C@@H]2OCC[C@H]2[NH3+])CC1 ZINC000420329019 296176159 /nfs/dbraw/zinc/17/61/59/296176159.db2.gz ITLXOZYMRWCEQE-JECHBYEQSA-N 2 0 310.388 2.854 20 0 DFADRP [NH3+][C@@H]1CCO[C@H]1C1CC[NH+](CCCc2cccc(F)c2)CC1 ZINC000420331359 296176415 /nfs/dbraw/zinc/17/64/15/296176415.db2.gz MNEHTQKRISMIRN-MSOLQXFVSA-N 2 0 306.425 2.587 20 0 DFADRP C[N@H+](CCN1CC[NH2+]CC1)Cc1ccccc1-c1ccccc1 ZINC000420327803 296175970 /nfs/dbraw/zinc/17/59/70/296175970.db2.gz YVJPALIXGNPNEJ-UHFFFAOYSA-N 2 0 309.457 2.691 20 0 DFADRP Cc1ccc(NC(=O)C[N@@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)cc1C ZINC000420339548 296177501 /nfs/dbraw/zinc/17/75/01/296177501.db2.gz LZTGAHCPSZEALV-IAGOWNOFSA-N 2 0 315.461 2.563 20 0 DFADRP CC(=O)Nc1cccc(C[NH+]2CCC([C@H]3CCC[NH2+]3)CC2)c1 ZINC000420340078 296177519 /nfs/dbraw/zinc/17/75/19/296177519.db2.gz RVFFRNGGJKXXKD-GOSISDBHSA-N 2 0 301.434 2.609 20 0 DFADRP c1cnc2sc(C[NH+]3CCC([C@@H]4CCC[NH2+]4)CC3)nc2c1 ZINC000420342164 296177844 /nfs/dbraw/zinc/17/78/44/296177844.db2.gz WVEIIBNZBYZXIJ-ZDUSSCGKSA-N 2 0 302.447 2.655 20 0 DFADRP Cc1cc(C)cc(NC(=O)[C@@H](C)[N@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)c1 ZINC000420345050 296178133 /nfs/dbraw/zinc/17/81/33/296178133.db2.gz UZDOYQANIKFKPP-ZACQAIPSSA-N 2 0 315.461 2.562 20 0 DFADRP Cc1cccc(NC(=O)[C@@H](C)[NH+]2CCC([C@H]3CCC[NH2+]3)CC2)c1 ZINC000420340634 296177564 /nfs/dbraw/zinc/17/75/64/296177564.db2.gz MYDHFDXUDUHUQT-CRAIPNDOSA-N 2 0 315.461 2.786 20 0 DFADRP Fc1cc(OCC[N@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)ccc1Cl ZINC000420347382 296178316 /nfs/dbraw/zinc/17/83/16/296178316.db2.gz YKEKMRDTWUQVLC-BETUJISGSA-N 2 0 312.816 2.789 20 0 DFADRP CC[C@@H]1CCCCN1C(=O)[C@@H](C)[NH+]1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000420346846 296178484 /nfs/dbraw/zinc/17/84/84/296178484.db2.gz ZGSXLQRZVGXPSR-KBAYOESNSA-N 2 0 321.509 2.630 20 0 DFADRP C[C@@H]([NH2+]CCN1CC[N@H+](C)C(C)(C)C1)c1ccc2c(c1)CCC2 ZINC000282490857 217036520 /nfs/dbraw/zinc/03/65/20/217036520.db2.gz XMCUYINEXYWCBW-MRXNPFEDSA-N 2 0 315.505 2.852 20 0 DFADRP COc1ccc([C@@H](C[NH3+])C[N@H+](C)C[C@@H](C)c2nccs2)cc1 ZINC000420354742 296179253 /nfs/dbraw/zinc/17/92/53/296179253.db2.gz DFDRADMGTYDFBB-HIFRSBDPSA-N 2 0 319.474 2.930 20 0 DFADRP CC[C@@H]([NH2+]C[C@H]1CCC[N@H+](CC2CC2)C1)C1(C(=O)OC)CCC1 ZINC000596092556 399170500 /nfs/dbraw/zinc/17/05/00/399170500.db2.gz BLSNMTWCNAGAFK-IAGOWNOFSA-N 2 0 322.493 2.820 20 0 DFADRP CC[C@H]([NH2+]C[C@@H]1CCC[N@H+](CC2CC2)C1)C1(C(=O)OC)CCC1 ZINC000596092557 399171171 /nfs/dbraw/zinc/17/11/71/399171171.db2.gz BLSNMTWCNAGAFK-IRXDYDNUSA-N 2 0 322.493 2.820 20 0 DFADRP COc1ccc([C@@H](C[NH3+])C[NH+]2CCC([C@@H]3CCCO3)CC2)cc1 ZINC000420359060 296179588 /nfs/dbraw/zinc/17/95/88/296179588.db2.gz KDKZOQVWYZJJKK-HKUYNNGSSA-N 2 0 318.461 2.629 20 0 DFADRP C[C@@H](CC(=O)OC(C)(C)C)[NH2+]C[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000596096639 399171943 /nfs/dbraw/zinc/17/19/43/399171943.db2.gz WCCFJGSUEMBKOG-HOCLYGCPSA-N 2 0 310.482 2.818 20 0 DFADRP C[C@@H](C[N@H+](C)CCOCC[NH3+])Oc1ccc(Cl)c(Cl)c1 ZINC000420368448 296181427 /nfs/dbraw/zinc/18/14/27/296181427.db2.gz WXKIAIOCPGARRJ-NSHDSACASA-N 2 0 321.248 2.668 20 0 DFADRP C(CC1CC[NH+](CC[C@H]2CCC[NH2+]C2)CC1)C[NH+]1CCCC1 ZINC000420365445 296180896 /nfs/dbraw/zinc/18/08/96/296180896.db2.gz SDKXREZVLIIRHA-LJQANCHMSA-N 3 0 307.526 2.964 20 0 DFADRP [NH3+][C@H]1CCCO[C@H]1C1CC[NH+](CCCc2ccsc2)CC1 ZINC000420370157 296181513 /nfs/dbraw/zinc/18/15/13/296181513.db2.gz CIBJGROXPNKKMZ-IRXDYDNUSA-N 2 0 308.491 2.899 20 0 DFADRP [NH3+]Cc1cn([C@@H]2CCC[N@H+](Cc3cccc(C(F)F)c3)C2)nn1 ZINC000420373756 296182222 /nfs/dbraw/zinc/18/22/22/296182222.db2.gz GOTLNRGQXHQCCC-OAHLLOKOSA-N 2 0 321.375 2.512 20 0 DFADRP c1nc([C@@H]2CCC[N@@H+](CCC3CC[NH2+]CC3)C2)n2c1CCCC2 ZINC000420374991 296182250 /nfs/dbraw/zinc/18/22/50/296182250.db2.gz OMKVQSPJJKVKAM-QGZVFWFLSA-N 2 0 316.493 2.789 20 0 DFADRP CCC[N@@H+]1CC[C@@H](C[NH2+]Cc2ccc(OC)c(OC)c2C)C1 ZINC000342051883 284316948 /nfs/dbraw/zinc/31/69/48/284316948.db2.gz BCGIMXLUTULKFW-HNNXBMFYSA-N 2 0 306.450 2.834 20 0 DFADRP [NH3+][C@H]1CCCO[C@@H]1C1CC[NH+](CCCOc2ccccc2)CC1 ZINC000420381388 296183525 /nfs/dbraw/zinc/18/35/25/296183525.db2.gz OXSIPXXRZAVMQS-RBUKOAKNSA-N 2 0 318.461 2.674 20 0 DFADRP CC(C)(C)CC(C)(C)[NH2+]CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000342063992 284319752 /nfs/dbraw/zinc/31/97/52/284319752.db2.gz YDKUOHVDBOPHIM-UHFFFAOYSA-N 2 0 309.498 2.534 20 0 DFADRP [NH3+][C@@H]1CCO[C@@H](C2CC[NH+](CCOC3CCCCCC3)CC2)C1 ZINC000420384762 296184064 /nfs/dbraw/zinc/18/40/64/296184064.db2.gz GTORBBFFKCETRK-IEBWSBKVSA-N 2 0 324.509 2.944 20 0 DFADRP COc1ccccc1OCC[N@@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000420387782 296184568 /nfs/dbraw/zinc/18/45/68/296184568.db2.gz GOBPZPHVHVQECI-HOTGVXAUSA-N 2 0 304.434 2.538 20 0 DFADRP [NH3+][C@@H]1CCO[C@H](C2CC[NH+](CCCCC3CCOCC3)CC2)C1 ZINC000420393368 296185358 /nfs/dbraw/zinc/18/53/58/296185358.db2.gz QJBDVUYTPQUJIG-MOPGFXCFSA-N 2 0 324.509 2.802 20 0 DFADRP C[C@@H]1CC[N@H+](CCC(=O)Nc2ccc(Cl)cc2)C[C@H]1C[NH3+] ZINC000420395231 296185754 /nfs/dbraw/zinc/18/57/54/296185754.db2.gz DEUWYVKTZMLAOZ-CHWSQXEVSA-N 2 0 309.841 2.585 20 0 DFADRP CN1CC[C@@H]([NH2+]CCC2CC[NH2+]CC2)[C@H]1c1ccc(F)c(F)c1 ZINC000420407194 296187254 /nfs/dbraw/zinc/18/72/54/296187254.db2.gz OEIATNREZZHWTQ-QZTJIDSGSA-N 2 0 323.431 2.689 20 0 DFADRP CC(C)N1CC[C@@H]([NH2+]CCC[NH3+])[C@H]1c1ccc(Cl)c(F)c1 ZINC000420412766 296187937 /nfs/dbraw/zinc/18/79/37/296187937.db2.gz SQKVCJJUDQWEEX-HZPDHXFCSA-N 2 0 313.848 2.941 20 0 DFADRP c1cc2c(cc1[C@H]([NH2+]CC[C@H]1CCC[NH2+]C1)C1CC1)OCCO2 ZINC000420415189 296188044 /nfs/dbraw/zinc/18/80/44/296188044.db2.gz UWEDUDXYAIVDJR-AUUYWEPGSA-N 2 0 316.445 2.888 20 0 DFADRP C[C@H](Cn1cccn1)[NH2+][C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000282765147 217234753 /nfs/dbraw/zinc/23/47/53/217234753.db2.gz ZWEAGBKJFCHGRJ-GSEOLPGOSA-N 2 0 324.472 2.772 20 0 DFADRP Cc1ccc(C[N@H+](C)C[C@H]2CC[NH+](C)C2)c(-c2cnn(C)c2)c1 ZINC000282764861 217234775 /nfs/dbraw/zinc/23/47/75/217234775.db2.gz ITKJHGSEYVIIPZ-INIZCTEOSA-N 2 0 312.461 2.779 20 0 DFADRP C[C@H](Cn1cccn1)[NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]12 ZINC000282765149 217235152 /nfs/dbraw/zinc/23/51/52/217235152.db2.gz ZWEAGBKJFCHGRJ-RSPOEFSDSA-N 2 0 324.472 2.772 20 0 DFADRP CC[NH+]1CCN(CCC[NH2+][C@@H](C)[C@@H]2C[C@H]2c2ccccc2)CC1 ZINC000282758642 217229690 /nfs/dbraw/zinc/22/96/90/217229690.db2.gz BIIIHQYFMQYDJA-IHPCNDPISA-N 2 0 315.505 2.796 20 0 DFADRP CC1(C)Cc2cccc(C[NH2+]CCCC[NH+]3CCOCC3)c2O1 ZINC000161667068 197510510 /nfs/dbraw/zinc/51/05/10/197510510.db2.gz NECYIFUPFRCAOC-UHFFFAOYSA-N 2 0 318.461 2.602 20 0 DFADRP CSc1ccc([C@@H](C)[NH2+]CCCN2CC[NH+](C)CC2)cc1 ZINC000021515227 182277184 /nfs/dbraw/zinc/27/71/84/182277184.db2.gz PMFVTSBRIKSGKG-OAHLLOKOSA-N 2 0 307.507 2.697 20 0 DFADRP O[C@H]1C[C@@H](C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3Cc3ccccc3)C2)C1 ZINC000420945213 296216073 /nfs/dbraw/zinc/21/60/73/296216073.db2.gz YQKNZYMJJLGZTK-HAGHYFMRSA-N 2 0 314.473 2.744 20 0 DFADRP CC(C)[C@@H](CNC(=O)C[NH+]1CCC(C)CC1)[NH+]1CCC(C)CC1 ZINC000622306851 399245713 /nfs/dbraw/zinc/24/57/13/399245713.db2.gz LNSPCYMSMVTQIL-GOSISDBHSA-N 2 0 323.525 2.591 20 0 DFADRP CSC1(C[NH2+][C@H]2CCCc3ncccc32)CC[NH+](C)CC1 ZINC000601279666 399269830 /nfs/dbraw/zinc/26/98/30/399269830.db2.gz IPXHALTXXOQMKJ-INIZCTEOSA-N 2 0 305.491 2.876 20 0 DFADRP CCCC[NH+]1CCC(NC(=O)c2ccc(C[NH+](C)C)cc2)CC1 ZINC000101659312 193832274 /nfs/dbraw/zinc/83/22/74/193832274.db2.gz ONFQYKNDOMRXAA-UHFFFAOYSA-N 2 0 317.477 2.743 20 0 DFADRP C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)c1ccc(C[NH+](C)C)cc1 ZINC000618989178 399272898 /nfs/dbraw/zinc/27/28/98/399272898.db2.gz KLZZKWGEJDZNKN-INIZCTEOSA-N 2 0 317.477 2.598 20 0 DFADRP CCc1oc(C[NH2+]C2CCC([NH+](C)C)CC2)cc1C(=O)OC ZINC000421366622 296248851 /nfs/dbraw/zinc/24/88/51/296248851.db2.gz CUXMKEUXOUVPKA-UHFFFAOYSA-N 2 0 308.422 2.591 20 0 DFADRP C[C@@H](CC(=O)N1CCCCCC1)[NH2+]C1CCC([NH+](C)C)CC1 ZINC000421372000 296250058 /nfs/dbraw/zinc/25/00/58/296250058.db2.gz LMZACROAFXAFLS-GTPINHCMSA-N 2 0 309.498 2.630 20 0 DFADRP Cc1ccccc1-n1cc(C[NH2+]C2CCC([NH+](C)C)CC2)nn1 ZINC000421371656 296249703 /nfs/dbraw/zinc/24/97/03/296249703.db2.gz KBHXPXCKEWHVTG-UHFFFAOYSA-N 2 0 313.449 2.538 20 0 DFADRP COc1cc(C)c(C[NH2+]C2CCC([NH+](C)C)CC2)cc1OC ZINC000421375577 296250419 /nfs/dbraw/zinc/25/04/19/296250419.db2.gz QMWUVUMXUBKYGV-UHFFFAOYSA-N 2 0 306.450 2.975 20 0 DFADRP Cc1ccc([C@@H](C)[NH2+]C[C@H](C(C)C)N2CC[NH+](C)CC2)s1 ZINC000040770023 183131103 /nfs/dbraw/zinc/13/11/03/183131103.db2.gz YPCALOIHMMHCKO-HZPDHXFCSA-N 2 0 309.523 2.979 20 0 DFADRP Cc1ccc([C@@H](C)[NH2+]C[C@@H](C(C)C)N2CC[NH+](C)CC2)s1 ZINC000040770019 183131312 /nfs/dbraw/zinc/13/13/12/183131312.db2.gz YPCALOIHMMHCKO-CVEARBPZSA-N 2 0 309.523 2.979 20 0 DFADRP C[NH+]1CCC(C)(C[NH2+]Cc2ccncc2Br)CC1 ZINC000623051849 399319690 /nfs/dbraw/zinc/31/96/90/399319690.db2.gz YTHIZZCTVMNMRE-UHFFFAOYSA-N 2 0 312.255 2.666 20 0 DFADRP COC1([C@H](C)[NH2+]C2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)CCCC1 ZINC000421841411 296277236 /nfs/dbraw/zinc/27/72/36/296277236.db2.gz IRBPWHYCIYQJMJ-RYQLBKOJSA-N 2 0 324.509 2.692 20 0 DFADRP C[NH+](C)C1(CNC(=O)c2ccc(C[NH3+])cc2)CCCCCC1 ZINC000274000185 211259348 /nfs/dbraw/zinc/25/93/48/211259348.db2.gz ZPZIUWFQNDAEKO-UHFFFAOYSA-N 2 0 303.450 2.530 20 0 DFADRP C[C@@H]1CCCC[C@@H]1OCC[NH+]1CCC(C[NH+]2CCOCC2)CC1 ZINC000051959626 425883769 /nfs/dbraw/zinc/88/37/69/425883769.db2.gz LNOVUKGKAHKGJX-MJGOQNOKSA-N 2 0 324.509 2.626 20 0 DFADRP COc1cc(C[NH2+]CCCC[NH+]2CCOCC2)ccc1Cl ZINC000623358771 399371862 /nfs/dbraw/zinc/37/18/62/399371862.db2.gz RFGOUAHENTTXDS-UHFFFAOYSA-N 2 0 312.841 2.551 20 0 DFADRP CCC(CC)C(=O)N1CCC([NH2+][C@@H]2CC[N@H+](C)C(C)(C)C2)CC1 ZINC000623363292 399373137 /nfs/dbraw/zinc/37/31/37/399373137.db2.gz LNULJOLAZOGVCA-QGZVFWFLSA-N 2 0 323.525 2.876 20 0 DFADRP CC(C)[C@@H](C(=O)NC[C@H](c1ccccc1)[NH+]1CCCC1)[NH+](C)C ZINC000106427483 194211370 /nfs/dbraw/zinc/21/13/70/194211370.db2.gz WEEHPDLXIRRTQB-MSOLQXFVSA-N 2 0 317.477 2.526 20 0 DFADRP COC(=O)C[C@@H]1CC[C@H]([NH2+]CC[C@H]([NH3+])Cc2ccccc2)[C@H]1C ZINC000602024056 399386500 /nfs/dbraw/zinc/38/65/00/399386500.db2.gz ZOXRSODMAORCMU-DKIMLUQUSA-N 2 0 318.461 2.514 20 0 DFADRP CC(C)[C@H](C(=O)NCC(C)(C)[NH2+][C@H](C)c1ccccc1)[NH+](C)C ZINC000109627288 194279226 /nfs/dbraw/zinc/27/92/26/194279226.db2.gz APAZRCAEGXDICS-NVXWUHKLSA-N 2 0 319.493 2.818 20 0 DFADRP CC(C)[C@@H](C(=O)NCC(C)(C)[NH2+][C@H](C)c1ccccc1)[NH+](C)C ZINC000109627284 194279275 /nfs/dbraw/zinc/27/92/75/194279275.db2.gz APAZRCAEGXDICS-WBVHZDCISA-N 2 0 319.493 2.818 20 0 DFADRP C[C@@H]([NH2+]CCc1ccc(OCC[NH+](C)C)cc1)c1cncs1 ZINC000268842166 207008087 /nfs/dbraw/zinc/00/80/87/207008087.db2.gz CYOJZDRBMUFDSL-CQSZACIVSA-N 2 0 319.474 2.977 20 0 DFADRP C[C@@H]1C[C@H](C)[N@H+](Cc2cc(-n3ccnc3)cs2)C[C@H]1C[NH3+] ZINC000422562481 296313014 /nfs/dbraw/zinc/31/30/14/296313014.db2.gz QLAICCJLMLRNBH-HZSPNIEDSA-N 2 0 304.463 2.739 20 0 DFADRP C[C@@H]1C[C@@H](C)[N@H+](Cc2cccc3c2OCCCO3)C[C@@H]1C[NH3+] ZINC000422561479 296312631 /nfs/dbraw/zinc/31/26/31/296312631.db2.gz LKCTUYKAZJUYGN-FMKPAKJESA-N 2 0 304.434 2.653 20 0 DFADRP Cc1ccc(NC(=O)C[NH+]2CCC([C@H](C)[NH3+])CC2)cc1Cl ZINC000110649428 194345830 /nfs/dbraw/zinc/34/58/30/194345830.db2.gz VFCRPVSHOZDCFY-LBPRGKRZSA-N 2 0 309.841 2.646 20 0 DFADRP COc1ccc([C@H](CCO)[NH2+][C@@H]2CC[N@H+](C)C(C)(C)C2)cc1 ZINC000623476854 399397435 /nfs/dbraw/zinc/39/74/35/399397435.db2.gz RHXNACRXLSQCCZ-WBVHZDCISA-N 2 0 306.450 2.581 20 0 DFADRP CC[NH+](CC)CCN(Cc1cccs1)C(=O)/C=C\C[NH+](C)C ZINC000492146741 299523729 /nfs/dbraw/zinc/52/37/29/299523729.db2.gz VITYVFNYVRMAPV-YFHOEESVSA-N 2 0 323.506 2.536 20 0 DFADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]CCc1ccn(-c2ccccc2)n1 ZINC000268887909 207057290 /nfs/dbraw/zinc/05/72/90/207057290.db2.gz XOEAYZZJSPTGQH-GPMSIDNRSA-N 2 0 312.461 2.733 20 0 DFADRP Cc1cc(C[NH2+]CC2=CC[N@H+](C)CC2)ncc1Br ZINC000623484977 399399545 /nfs/dbraw/zinc/39/95/45/399399545.db2.gz JEAWVSRGNLCRJP-UHFFFAOYSA-N 2 0 310.239 2.504 20 0 DFADRP CCC(CC)(CNC(=O)[C@@H](C)C[NH3+])[NH2+][C@@H](C)c1ccccc1 ZINC000285712895 218597735 /nfs/dbraw/zinc/59/77/35/218597735.db2.gz DLFXTQQVWBXYBX-GJZGRUSLSA-N 2 0 305.466 2.607 20 0 DFADRP Cc1c(F)cccc1NC(=O)CC[N@@H+]1C[C@H](C[NH3+])[C@H](C)C[C@@H]1C ZINC000422640028 296317316 /nfs/dbraw/zinc/31/73/16/296317316.db2.gz UNYNRRNFOUTDJM-IPYPFGDCSA-N 2 0 321.440 2.768 20 0 DFADRP C[C@@H](NCC(C)(C)[N@@H+]1CCc2ccccc2C1)[C@@H]1CCCC[NH2+]1 ZINC000422703002 296318451 /nfs/dbraw/zinc/31/84/51/296318451.db2.gz MBKUKWORVDMOFE-APWZRJJASA-N 2 0 315.505 2.944 20 0 DFADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]C1CCN(Cc2ccc(F)cc2)CC1 ZINC000422700493 296318468 /nfs/dbraw/zinc/31/84/68/296318468.db2.gz CAVIFFBWVHRCNF-DNVCBOLYSA-N 2 0 319.468 2.768 20 0 DFADRP COC[C@H](CCC[NH3+])[NH2+]Cc1ccccc1OC1CCCC1 ZINC000422691727 296317909 /nfs/dbraw/zinc/31/79/09/296317909.db2.gz IVQOQRWKKNICOI-INIZCTEOSA-N 2 0 306.450 2.852 20 0 DFADRP Fc1ccc(Br)cc1CC[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000422700981 296318480 /nfs/dbraw/zinc/31/84/80/296318480.db2.gz HSNUMKUVCYCRQM-CYBMUJFWSA-N 2 0 315.230 2.862 20 0 DFADRP C[C@@H]([NH3+])C[C@H](C)[NH2+]CCc1cc(Br)ccc1F ZINC000422703873 296319050 /nfs/dbraw/zinc/31/90/50/296319050.db2.gz OBEXNRJEILCRIG-ZJUUUORDSA-N 2 0 303.219 2.846 20 0 DFADRP CCC[C@@](C)(O)C[NH2+][C@@H](C)c1ccc(OCC[NH+](C)C)cc1 ZINC000268921905 207090210 /nfs/dbraw/zinc/09/02/10/207090210.db2.gz WVSYAZHJONBJFY-MAUKXSAKSA-N 2 0 308.466 2.829 20 0 DFADRP COc1ccc(CCC[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1OC ZINC000422700209 296318519 /nfs/dbraw/zinc/31/85/19/296318519.db2.gz BSLQZZXRWKGEOQ-XYPWUTKMSA-N 2 0 304.434 2.509 20 0 DFADRP C[C@@H]([NH3+])[C@@H](Cc1ccccc1)NCC[N@H+](C)C1CCCCC1 ZINC000422700392 296318573 /nfs/dbraw/zinc/31/85/73/296318573.db2.gz GVROYHZSDNMBTL-VQIMIIECSA-N 2 0 303.494 2.799 20 0 DFADRP CC[C@@H](C(=O)NCC1([NH3+])CCCCC1)[N@H+](C)Cc1ccccc1 ZINC000422703280 296318665 /nfs/dbraw/zinc/31/86/65/296318665.db2.gz HKZAMAKLWIBIEK-KRWDZBQOSA-N 2 0 317.477 2.675 20 0 DFADRP C[C@H](CN[C@H](C)[C@H]1CCCC[NH2+]1)[N@@H+]1CCc2ccccc2C1 ZINC000422708634 296319516 /nfs/dbraw/zinc/31/95/16/296319516.db2.gz CCMGJKVZFVYIRI-GPMSIDNRSA-N 2 0 301.478 2.553 20 0 DFADRP c1cc(C[NH2+][C@@H]2CCC[NH2+]CC2)cc(COC2CCOCC2)c1 ZINC000422710577 296319612 /nfs/dbraw/zinc/31/96/12/296319612.db2.gz LMKHYPPNZBSGPM-GOSISDBHSA-N 2 0 318.461 2.614 20 0 DFADRP C[C@H]([NH2+]CCCC[N@@H+]1CCC[C@H]1CO)c1ccc2c(c1)COC2 ZINC000268934979 207099337 /nfs/dbraw/zinc/09/93/37/207099337.db2.gz RLLNALSZONDICC-KXBFYZLASA-N 2 0 318.461 2.604 20 0 DFADRP [NH3+][C@@H]1CCCCC[C@H]1[NH2+]Cc1ccc(CN2CCCC2=O)cc1 ZINC000422708392 296319358 /nfs/dbraw/zinc/31/93/58/296319358.db2.gz BYGHLSFKSXDERP-QZTJIDSGSA-N 2 0 315.461 2.559 20 0 DFADRP C[C@H](C(=O)N[C@@H]1CCCC[C@H]1C)[NH+]1CCC(CC[NH+](C)C)CC1 ZINC000056524649 184015265 /nfs/dbraw/zinc/01/52/65/184015265.db2.gz MGBHSHPUPAIHAZ-JFIYKMOQSA-N 2 0 323.525 2.734 20 0 DFADRP CC(C)(C[NH2+][C@@H]1CCOC[C@H]1[C@@H]1CCC[NH2+]1)c1ccc(F)cc1 ZINC000422713561 296320070 /nfs/dbraw/zinc/32/00/70/296320070.db2.gz PXCJFDQKCHEKIG-OKZBNKHCSA-N 2 0 320.452 2.850 20 0 DFADRP COc1ccc(CCC[NH2+][C@@H]2CC[NH2+]CC[C@@H]2C)cc1OC ZINC000422717865 296320917 /nfs/dbraw/zinc/32/09/17/296320917.db2.gz KSVXMNHYQDGOEZ-GOEBONIOSA-N 2 0 306.450 2.614 20 0 DFADRP C[C@H](NC[C@H]1CC[N@H+](CCc2ccccc2)C1)[C@H]1CCCC[NH2+]1 ZINC000422718530 296320936 /nfs/dbraw/zinc/32/09/36/296320936.db2.gz PWAXDVLAWVLGKX-DFQSSKMNSA-N 2 0 315.505 2.671 20 0 DFADRP CCC(CC)C(=O)N1CCC([NH2+][C@@H](CC)[C@@H]2CCC[NH2+]2)CC1 ZINC000422718062 296321040 /nfs/dbraw/zinc/32/10/40/296321040.db2.gz LAIGIZZFOVREBY-IRXDYDNUSA-N 2 0 309.498 2.534 20 0 DFADRP C[N@@H+]1CC[C@H]([NH2+][C@@H]2CCO[C@@H](c3cccnc3)C2)CC1(C)C ZINC000623540392 399411553 /nfs/dbraw/zinc/41/15/53/399411553.db2.gz XREMSELVWJTDFR-IXDOHACOSA-N 2 0 303.450 2.764 20 0 DFADRP C[N@@H+]1CC[C@H]([NH2+][C@@H]2CCO[C@H](c3ccncc3)C2)CC1(C)C ZINC000623540005 399411636 /nfs/dbraw/zinc/41/16/36/399411636.db2.gz GWLCTPMFIWXKEG-IKGGRYGDSA-N 2 0 303.450 2.764 20 0 DFADRP CC[C@H](NC1CC[NH+](Cc2ccc(F)cc2)CC1)[C@@H]1CCC[NH2+]1 ZINC000422724322 296321727 /nfs/dbraw/zinc/32/17/27/296321727.db2.gz VIHOXBZMMABANP-OALUTQOASA-N 2 0 319.468 2.910 20 0 DFADRP [NH3+]C[C@H]1CCC[C@@H]1[NH2+]C1CCN(Cc2ccc(F)c(F)c2)CC1 ZINC000422721052 296321213 /nfs/dbraw/zinc/32/12/13/296321213.db2.gz NHQUZFJFZSQZDH-KDOFPFPSSA-N 2 0 323.431 2.646 20 0 DFADRP C[C@@H]([NH3+])C[C@@H](C)[NH2+]C1CCN(Cc2ccc(F)c(F)c2)CC1 ZINC000422725313 296322076 /nfs/dbraw/zinc/32/20/76/296322076.db2.gz XWWYRGQZPGCXKS-CHWSQXEVSA-N 2 0 311.420 2.645 20 0 DFADRP C[C@@H](NC[C@H]1CCC[N@@H+]1Cc1ccccc1)[C@H]1CCCC[NH2+]1 ZINC000422734370 296323425 /nfs/dbraw/zinc/32/34/25/296323425.db2.gz CQNYNUHPGGPHCA-BHIYHBOVSA-N 2 0 301.478 2.771 20 0 DFADRP c1csc([C@H](CNC2C[C@H]3CC[C@@H](C2)[NH2+]3)[NH+]2CCCC2)c1 ZINC000422733014 296323458 /nfs/dbraw/zinc/32/34/58/296323458.db2.gz PZTDZVXXOXBQDS-QXULXFAOSA-N 2 0 305.491 2.758 20 0 DFADRP C[C@@H]1C[C@@H](NC[C@@H]2CCCC[NH+](C)C2)C[N@@H+]1Cc1ccccc1 ZINC000623656058 399436724 /nfs/dbraw/zinc/43/67/24/399436724.db2.gz MABHPTUPLOMNQI-YZGWKJHDSA-N 2 0 315.505 2.971 20 0 DFADRP COC[C@@H](C)Oc1ccc(C[NH2+]C[C@H]2CCCC[N@H+](C)C2)cc1 ZINC000623656809 399436812 /nfs/dbraw/zinc/43/68/12/399436812.db2.gz CGCQNHDIFSNSQV-SJLPKXTDSA-N 2 0 320.477 2.922 20 0 DFADRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@H](Cc1ccccc1)C1CC1 ZINC000269050748 207201341 /nfs/dbraw/zinc/20/13/41/207201341.db2.gz IGTYPQZQSJPESF-RTBURBONSA-N 2 0 304.478 2.954 20 0 DFADRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@@H]1CCc2c1cccc2OC ZINC000269096972 207236856 /nfs/dbraw/zinc/23/68/56/207236856.db2.gz SANFTUSGJKQPIS-RHSMWYFYSA-N 2 0 306.450 2.629 20 0 DFADRP COC(=O)c1[nH]c(C[NH2+]CCCC[N@@H+]2CCCC[C@H]2C)cc1C ZINC000602513762 399465874 /nfs/dbraw/zinc/46/58/74/399465874.db2.gz CPLLFUAPDISHEQ-OAHLLOKOSA-N 2 0 321.465 2.854 20 0 DFADRP C[C@H]1C[C@H](NC[C@@H]2CCC[NH+]2C)CC[N@@H+]1Cc1ccccc1 ZINC000623786327 399466368 /nfs/dbraw/zinc/46/63/68/399466368.db2.gz IGYKJEJUIXMDDT-UHOSZYNNSA-N 2 0 301.478 2.723 20 0 DFADRP COc1ccc(-c2nc(C[NH+]3CCC(C[NH3+])CC3)cs2)cc1 ZINC000346689973 284925668 /nfs/dbraw/zinc/92/56/68/284925668.db2.gz ROGMNFFKZYSZFI-UHFFFAOYSA-N 2 0 317.458 2.989 20 0 DFADRP C[C@H](NC[C@H](c1cccs1)[NH+]1CCC(C)CC1)C1C[NH2+]C1 ZINC000422739879 296324394 /nfs/dbraw/zinc/32/43/94/296324394.db2.gz AOKYCPSOVJZCSB-GOEBONIOSA-N 2 0 307.507 2.719 20 0 DFADRP C[C@H](c1ccccc1)[NH+]1CCC(N[C@@H](C)[C@@H]2CCC[NH2+]2)CC1 ZINC000422740923 296324462 /nfs/dbraw/zinc/32/44/62/296324462.db2.gz COMRGTMJROEHHE-FCEWJHQRSA-N 2 0 301.478 2.942 20 0 DFADRP [NH3+]C[C@@H]1CCCC[C@@H]1NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000422735330 296323647 /nfs/dbraw/zinc/32/36/47/296323647.db2.gz VZCJEZSZMRZQDM-JYJNAYRXSA-N 2 0 307.507 2.992 20 0 DFADRP C[C@H](CCc1ccc(Br)cc1)[NH2+][C@@H](C)C1C[NH2+]C1 ZINC000422739527 296323939 /nfs/dbraw/zinc/32/39/39/296323939.db2.gz LQSLUGSIGNJKPT-NEPJUHHUSA-N 2 0 311.267 2.968 20 0 DFADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+][C@@H]1CCC[C@@H](C(=O)N(C)C)C1 ZINC000422739450 296324176 /nfs/dbraw/zinc/32/41/76/296324176.db2.gz LILHURCEOIAMDT-WCXIOVBPSA-N 2 0 309.498 2.534 20 0 DFADRP C[C@@H]1CC[NH2+]CC[C@@H]1NC[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000422737262 296324212 /nfs/dbraw/zinc/32/42/12/296324212.db2.gz ZKLJERWRYCLRSO-NZSAHSFTSA-N 2 0 301.478 2.801 20 0 DFADRP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](N[C@@H](C)[C@H]2CCCC[NH2+]2)C1 ZINC000422740771 296324343 /nfs/dbraw/zinc/32/43/43/296324343.db2.gz NEAVPSSHOBPAGI-QFHJOOASSA-N 2 0 301.478 2.942 20 0 DFADRP CC1CC[NH+]([C@H](CN[C@@H]2CCC[C@@H]2[NH3+])c2cccs2)CC1 ZINC000422743370 296325001 /nfs/dbraw/zinc/32/50/01/296325001.db2.gz IJOFUHQWEGIMJH-ARFHVFGLSA-N 2 0 307.507 2.991 20 0 DFADRP CC[C@H]([NH2+][C@@H]1CCC[C@@H](C(=O)NC(C)C)C1)[C@H]1CCCC[NH2+]1 ZINC000422748545 296325657 /nfs/dbraw/zinc/32/56/57/296325657.db2.gz UZSXZBMXHNAOCJ-WCXIOVBPSA-N 2 0 309.498 2.580 20 0 DFADRP C[C@H](c1ccccc1)[NH+]1CCC(N[C@@H]2CCC[NH2+]CC2)CC1 ZINC000422747201 296325839 /nfs/dbraw/zinc/32/58/39/296325839.db2.gz PLYHFWKKZWPQFY-SJLPKXTDSA-N 2 0 301.478 2.944 20 0 DFADRP c1cc2c(s1)CCN(CC[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1)C2 ZINC000422744846 296325385 /nfs/dbraw/zinc/32/53/85/296325385.db2.gz WRYKPXXAZVSNRH-BBWFWOEESA-N 2 0 319.518 2.617 20 0 DFADRP O=C(Nc1ccc(CC[NH+]2CCCCC2)cc1)[C@@H]1CCC[NH2+]C1 ZINC000269237825 207366345 /nfs/dbraw/zinc/36/63/45/207366345.db2.gz HUZJICKRWIJOQV-QGZVFWFLSA-N 2 0 315.461 2.653 20 0 DFADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]CC1(c2ccc(F)cc2)CCOCC1 ZINC000422751963 296326612 /nfs/dbraw/zinc/32/66/12/296326612.db2.gz DJUYKKUMJZPZRA-CRAIPNDOSA-N 2 0 320.452 2.852 20 0 DFADRP CC(C)[C@@H]([NH3+])C(=O)NC[C@@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC000269241130 207370867 /nfs/dbraw/zinc/37/08/67/207370867.db2.gz QPWMSYQFANWYFQ-JKSUJKDBSA-N 2 0 323.868 2.576 20 0 DFADRP CCOC(=O)C1([C@H](C)[NH2+][C@H](C)c2cccs2)CC[NH2+]CC1 ZINC000422751379 296326658 /nfs/dbraw/zinc/32/66/58/296326658.db2.gz CMRGOEQZSQGTRX-OLZOCXBDSA-N 2 0 310.463 2.720 20 0 DFADRP COc1ccc([C@@H](C[NH2+][C@H](C)CCC[NH3+])N2CCCCC2)cc1 ZINC000422755948 296327250 /nfs/dbraw/zinc/32/72/50/296327250.db2.gz IHKOHCXSBVKJIB-VQIMIIECSA-N 2 0 319.493 2.939 20 0 DFADRP Cc1nc2ccccc2n1CCC[NH2+][C@H](C)[C@@H]1CCCC[NH2+]1 ZINC000422756035 296327258 /nfs/dbraw/zinc/32/72/58/296327258.db2.gz KZBGADYVDGGGMV-ZBFHGGJFSA-N 2 0 300.450 2.855 20 0 DFADRP COc1cccc([C@@H](CN[C@H](C)[C@@H]2CCC[NH2+]2)[NH+]2CCCC2)c1 ZINC000422753329 296326946 /nfs/dbraw/zinc/32/69/46/296326946.db2.gz GDUXWWKZKCRPJR-AYOQOUSVSA-N 2 0 317.477 2.562 20 0 DFADRP C[C@H]([NH3+])[C@H](Cc1ccccc1)NCC[N@H+](C)Cc1ccccc1 ZINC000422759291 296328044 /nfs/dbraw/zinc/32/80/44/296328044.db2.gz LBDCOSFQLFFQBU-PXNSSMCTSA-N 2 0 311.473 2.667 20 0 DFADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]C[C@@H](CO)Cc1ccccc1 ZINC000422757074 296327632 /nfs/dbraw/zinc/32/76/32/296327632.db2.gz JIFAPZLNHPQODS-NEWSRXKRSA-N 2 0 304.478 2.738 20 0 DFADRP CCS[C@H]1CCC[C@H]([NH2+]C2CC[NH+](CC(C)(C)O)CC2)C1 ZINC000602569791 399479028 /nfs/dbraw/zinc/47/90/28/399479028.db2.gz SHLRTTFHKOZFIH-HOTGVXAUSA-N 2 0 314.539 2.876 20 0 DFADRP COc1ccc([C@H](CN[C@H](C)[C@@H]2CCC[NH2+]2)[NH+]2CCCC2)cc1 ZINC000422760936 296328519 /nfs/dbraw/zinc/32/85/19/296328519.db2.gz QPVOQDTUGKYOIJ-MNEFBYGVSA-N 2 0 317.477 2.562 20 0 DFADRP Cc1ccc([C@H](C)C[NH2+][C@@H]2CCOC[C@H]2[C@H]2CCC[NH2+]2)cc1 ZINC000422762258 296328721 /nfs/dbraw/zinc/32/87/21/296328721.db2.gz MKJOJEYAQNAWLJ-QXCFHYIPSA-N 2 0 302.462 2.845 20 0 DFADRP CCOC(=O)C1([C@@H](C)[NH2+]C[C@@H](C)c2ccccc2)CC[NH2+]CC1 ZINC000422765539 296329823 /nfs/dbraw/zinc/32/98/23/296329823.db2.gz QKBHBLXIARRVLE-HZPDHXFCSA-N 2 0 318.461 2.701 20 0 DFADRP COc1ccc([C@H](C[NH2+][C@@H](C)C[C@H](C)[NH3+])N2CCCCC2)cc1 ZINC000422769175 296330050 /nfs/dbraw/zinc/33/00/50/296330050.db2.gz UTEZNCGNAQIHTL-BXWFABGCSA-N 2 0 319.493 2.938 20 0 DFADRP C[C@H]1CC[NH2+]CC[C@@H]1[NH2+]CCc1ccc(Br)cc1 ZINC000422770070 296330216 /nfs/dbraw/zinc/33/02/16/296330216.db2.gz WIQKQDUPXPFREY-WFASDCNBSA-N 2 0 311.267 2.969 20 0 DFADRP C[C@@H]1Cc2ccccc2N1CC[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000422773606 296330582 /nfs/dbraw/zinc/33/05/82/296330582.db2.gz YYACKFUIQQOUPE-QXCFHYIPSA-N 2 0 313.489 2.948 20 0 DFADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+][C@H]1CCN(Cc2ccccc2)C1 ZINC000422772417 296330630 /nfs/dbraw/zinc/33/06/30/296330630.db2.gz YIMYQWVJBGLGSC-APWZRJJASA-N 2 0 324.472 2.774 20 0 DFADRP COC(=O)c1csc(C[NH2+]Cc2cccc(C[NH+](C)C)c2)c1 ZINC000602593141 399485859 /nfs/dbraw/zinc/48/58/59/399485859.db2.gz LQNMYXVXDXKVSE-UHFFFAOYSA-N 2 0 318.442 2.886 20 0 DFADRP COc1ccc(C[NH+]2CCC(C[NH2+][C@@H](C)C[C@H](C)[NH3+])CC2)cc1 ZINC000422780479 296331916 /nfs/dbraw/zinc/33/19/16/296331916.db2.gz KDDZAPVIDUJVTJ-HOTGVXAUSA-N 3 0 319.493 2.623 20 0 DFADRP CC[C@@H](CCc1ccccc1)[NH2+]C[C@H](C)CN1CC[NH+](C)CC1 ZINC000623887230 399487682 /nfs/dbraw/zinc/48/76/82/399487682.db2.gz XSJDURCRBNNYCX-ICSRJNTNSA-N 2 0 317.521 2.871 20 0 DFADRP C(C[NH2+][C@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1)COCC1CCOCC1 ZINC000422791256 296333204 /nfs/dbraw/zinc/33/32/04/296333204.db2.gz VVFBIWYOBIIEQB-OTWHNJEPSA-N 2 0 324.509 2.720 20 0 DFADRP C[C@H](C[NH2+][C@@H]1CCOC[C@@H]1[C@H]1CCC[NH2+]1)c1ccc(F)cc1F ZINC000422787858 296332840 /nfs/dbraw/zinc/33/28/40/296332840.db2.gz AGUCPEFRWKQYMV-DGCUDZEOSA-N 2 0 324.415 2.815 20 0 DFADRP C[C@@H]1C[N@@H+](CCCC[NH2+][C@@H]2CCCc3scnc32)C[C@H](C)O1 ZINC000623916579 399494229 /nfs/dbraw/zinc/49/42/29/399494229.db2.gz SXFDIIXJUSGLLR-QLFBSQMISA-N 2 0 323.506 3.000 20 0 DFADRP CC(C)COCCC[NH2+][C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422792304 296333530 /nfs/dbraw/zinc/33/35/30/296333530.db2.gz WCZVUWJOWWNHPW-PKOBYXMFSA-N 2 0 318.461 2.895 20 0 DFADRP C[NH+](C)C1(CN[C@H]2CC[NH2+][C@H](c3ccccc3)C2)CCCC1 ZINC000422791820 296333610 /nfs/dbraw/zinc/33/36/10/296333610.db2.gz VGKLCVATVKCALZ-ROUUACIJSA-N 2 0 301.478 2.944 20 0 DFADRP Cc1nn(Cc2ccccc2)c(C)c1C[NH2+][C@H](C)[C@@H]1CC[NH2+]C1 ZINC000422793450 296333637 /nfs/dbraw/zinc/33/36/37/296333637.db2.gz SDPKLHYSEPANJR-RDTXWAMCSA-N 2 0 312.461 2.636 20 0 DFADRP CC[NH+](CC)[C@H](CN[C@@H](C)C[C@@H](C)[NH3+])c1cccc(OC)c1 ZINC000422793500 296334020 /nfs/dbraw/zinc/33/40/20/296334020.db2.gz FPROJBNYBBIKQR-RVKKMQEKSA-N 2 0 307.482 2.794 20 0 DFADRP CCOC(=O)C1([C@@H](C)[NH2+][C@H]2CCc3ccccc32)CC[NH2+]CC1 ZINC000422795768 296334306 /nfs/dbraw/zinc/33/43/06/296334306.db2.gz IBPFAISKNQHJOV-PBHICJAKSA-N 2 0 316.445 2.585 20 0 DFADRP C[C@H]([NH3+])[C@H](Cc1ccccc1)N[C@H]1CC[N@H+](CC2CCCC2)C1 ZINC000422796294 296334435 /nfs/dbraw/zinc/33/44/35/296334435.db2.gz IXGZIYLOQREHOL-VDGAXYAQSA-N 2 0 315.505 2.799 20 0 DFADRP C[C@H]([NH3+])[C@@H](Cc1ccccc1)N[C@@H]1CC[N@H+](CC2CCCC2)C1 ZINC000422796156 296334576 /nfs/dbraw/zinc/33/45/76/296334576.db2.gz IXGZIYLOQREHOL-PWIZWCRZSA-N 2 0 315.505 2.799 20 0 DFADRP CC[NH+](CC)[C@H](CN[C@@H](C)[C@H]1CC[NH2+]C1)c1cccc(OC)c1 ZINC000422797438 296334902 /nfs/dbraw/zinc/33/49/02/296334902.db2.gz MNDCWTLCRJXIHQ-VDZJLULYSA-N 2 0 319.493 2.666 20 0 DFADRP CC(C)c1ccc([C@H]([NH3+])CNC(=O)C[NH+]2CCC(C)CC2)cc1 ZINC000422799699 296335233 /nfs/dbraw/zinc/33/52/33/296335233.db2.gz YCWKBRCTQQUOOI-GOSISDBHSA-N 2 0 317.477 2.658 20 0 DFADRP C(C1CCCC1)[N@@H+]1CC[C@H](N[C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)C1 ZINC000422798944 296335308 /nfs/dbraw/zinc/33/53/08/296335308.db2.gz UIXDGXVCTWYQLP-ZSYWTGECSA-N 2 0 305.510 2.761 20 0 DFADRP CC[C@@H](CN[C@H](C)[C@@H]1CCC[NH2+]1)[N@@H+]1CCc2ccccc2C1 ZINC000422801469 296335403 /nfs/dbraw/zinc/33/54/03/296335403.db2.gz BZKJSABIYSSHRS-MNEFBYGVSA-N 2 0 301.478 2.553 20 0 DFADRP [NH3+]C[C@H]1CCCC[C@@H]1[NH2+]CCCN1CCc2ccccc2C1 ZINC000422805785 296336357 /nfs/dbraw/zinc/33/63/57/296336357.db2.gz JOABGHQIIZPPIG-MJGOQNOKSA-N 2 0 301.478 2.542 20 0 DFADRP CC[C@H](C[NH2+]C1CCC(C[NH3+])CC1)N1CCc2ccccc2C1 ZINC000422804367 296336205 /nfs/dbraw/zinc/33/62/05/296336205.db2.gz HNKDTLVETSVFNF-RRWXTXHCSA-N 2 0 315.505 2.930 20 0 DFADRP C[N@@H+]1CCC[C@H](CNc2nccc(N3Cc4ccccc4C3)n2)C1 ZINC000623955856 399503703 /nfs/dbraw/zinc/50/37/03/399503703.db2.gz MJXVBLLXCGSIGW-OAHLLOKOSA-N 2 0 323.444 2.751 20 0 DFADRP [NH3+][C@@H]1CCCCC[C@H]1[NH2+]CCc1nc(C(F)(F)F)cs1 ZINC000422809135 296336878 /nfs/dbraw/zinc/33/68/78/296336878.db2.gz PJHZRPWROBNMJF-NXEZZACHSA-N 2 0 307.385 2.954 20 0 DFADRP C[C@H](CCC[NH3+])[NH2+]Cc1ccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000422809293 296336919 /nfs/dbraw/zinc/33/69/19/296336919.db2.gz LXCCHZFKCUVNHN-ZACQAIPSSA-N 3 0 319.493 2.513 20 0 DFADRP COc1ccc([C@@H](NCC[NH+]2CCCCC2)[C@H]2CCC[NH2+]2)cc1 ZINC000422809975 296337175 /nfs/dbraw/zinc/33/71/75/296337175.db2.gz MVYFKFQJRKJEOM-RTBURBONSA-N 2 0 317.477 2.564 20 0 DFADRP C[NH+](C)Cc1cccc(C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)c1 ZINC000422811096 296337185 /nfs/dbraw/zinc/33/71/85/296337185.db2.gz TZLNCYDFXTYYJU-IPMKNSEASA-N 3 0 301.478 2.759 20 0 DFADRP CC[C@H](C[NH2+]C1CCC([NH3+])CC1)N1CCc2ccccc2C1 ZINC000422811380 296337321 /nfs/dbraw/zinc/33/73/21/296337321.db2.gz UOGCNLKMJACKJZ-CTWPCTMYSA-N 2 0 301.478 2.683 20 0 DFADRP CN(C)c1cc(C[NH2+][C@@H]2CCCC[C@@H]2C[NH3+])c2ccccc2n1 ZINC000422806474 296336547 /nfs/dbraw/zinc/33/65/47/296336547.db2.gz KXXUEJFGRACZAV-RHSMWYFYSA-N 2 0 312.461 2.908 20 0 DFADRP C[C@@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]CCCN1CCc2ccccc21 ZINC000422806559 296336600 /nfs/dbraw/zinc/33/66/00/296336600.db2.gz NPXJJGFSMNPJNO-XLIONFOSSA-N 2 0 323.484 2.987 20 0 DFADRP CC[C@H](NCC[N@@H+]1CCc2ccccc2C1)[C@H]1CCCC[NH2+]1 ZINC000422812649 296337747 /nfs/dbraw/zinc/33/77/47/296337747.db2.gz YCLYXYHYFHNDPD-RBUKOAKNSA-N 2 0 301.478 2.555 20 0 DFADRP C[C@H](C[C@H](C)[NH3+])[NH2+]Cc1ccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000422814513 296338047 /nfs/dbraw/zinc/33/80/47/296338047.db2.gz VFZBGHGTTVAEEM-VVLHAWIVSA-N 3 0 319.493 2.511 20 0 DFADRP c1ccc2c(c1)O[C@]1(CC[NH2+]C1)C[C@@H]2[NH2+][C@@H]1CCCSC1 ZINC000422815242 296338174 /nfs/dbraw/zinc/33/81/74/296338174.db2.gz BAZJVRSEWRAAMI-UKPHBRMFSA-N 2 0 304.459 2.728 20 0 DFADRP CC[C@@H](C(=O)NC(CC)(CC)C[NH3+])[N@H+](C)Cc1ccccc1 ZINC000422815799 296338198 /nfs/dbraw/zinc/33/81/98/296338198.db2.gz CLRAWPIFFOAUDI-INIZCTEOSA-N 2 0 305.466 2.531 20 0 DFADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]CCCN1CCc2ccccc21 ZINC000422812037 296337500 /nfs/dbraw/zinc/33/75/00/296337500.db2.gz WYOWMXLUPMVGRP-OAHLLOKOSA-N 2 0 324.472 2.952 20 0 DFADRP CN(CC[NH2+][C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1)Cc1ccc(F)cc1 ZINC000422820161 296338971 /nfs/dbraw/zinc/33/89/71/296338971.db2.gz PFMMJFHKKDCCBV-GUDVDZBRSA-N 2 0 319.468 2.768 20 0 DFADRP c1cnn(-c2ccc(CC[NH2+][C@@H]3CCC[C@H]3[C@H]3CCC[NH2+]3)cc2)c1 ZINC000422819204 296339073 /nfs/dbraw/zinc/33/90/73/296339073.db2.gz HPXGGGUUBVRDKG-VAMGGRTRSA-N 2 0 324.472 2.925 20 0 DFADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]CCc1nccn1Cc1ccccc1 ZINC000422820212 296339150 /nfs/dbraw/zinc/33/91/50/296339150.db2.gz PLUBDIPFEHGQOV-ROUUACIJSA-N 2 0 312.461 2.581 20 0 DFADRP CC[C@H]([NH2+]CCC1CCN(CC(F)(F)F)CC1)[C@@H]1CCC[NH2+]1 ZINC000422820751 296339224 /nfs/dbraw/zinc/33/92/24/296339224.db2.gz SCVXRVTYISSXLW-GJZGRUSLSA-N 2 0 321.431 2.771 20 0 DFADRP C[C@@H](CCC[NH3+])[NH2+]Cc1ccc(COCC(F)(F)F)cc1 ZINC000422816119 296338537 /nfs/dbraw/zinc/33/85/37/296338537.db2.gz ZCFDWMSCEGACCN-LBPRGKRZSA-N 2 0 304.356 2.983 20 0 DFADRP C[C@@H]([NH2+]CC1CC[NH+](Cc2cccs2)CC1)[C@@H]1CC[NH2+]C1 ZINC000422822991 296339432 /nfs/dbraw/zinc/33/94/32/296339432.db2.gz CERVVGXHVUZSAP-GDBMZVCRSA-N 3 0 307.507 2.548 20 0 DFADRP C[C@@H](c1ccc2ccccc2c1)[N@@H+]1CC[C@H](n2cc(C[NH3+])nn2)C1 ZINC000631846252 399507630 /nfs/dbraw/zinc/50/76/30/399507630.db2.gz WXXPFNYYUGVBSM-LIRRHRJNSA-N 2 0 321.428 2.898 20 0 DFADRP c1ccc(NCCC[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)nc1 ZINC000422831320 296340952 /nfs/dbraw/zinc/34/09/52/296340952.db2.gz DRFUFRYHCIYQDG-BRWVUGGUSA-N 2 0 302.466 2.784 20 0 DFADRP C[C@@H](c1cccc2ccccc21)[N@@H+]1CC[C@H](n2cc(C[NH3+])nn2)C1 ZINC000631845836 399508057 /nfs/dbraw/zinc/50/80/57/399508057.db2.gz MDFKKXHYHVEARP-YOEHRIQHSA-N 2 0 321.428 2.898 20 0 DFADRP CC[C@H](c1ccc(Cl)cc1)[N@@H+]1CC[C@H](n2cc(C[NH3+])nn2)C1 ZINC000631846263 399508085 /nfs/dbraw/zinc/50/80/85/399508085.db2.gz XDALDECUCXIOJU-JKSUJKDBSA-N 2 0 319.840 2.788 20 0 DFADRP CCOC(=O)C[N@H+](CC1CC[NH2+]CC1)[C@@H](C)c1ccccc1 ZINC000346999080 285000078 /nfs/dbraw/zinc/00/00/78/285000078.db2.gz FIUQKCYTNOKSOQ-HNNXBMFYSA-N 2 0 304.434 2.612 20 0 DFADRP CCO[C@H](CC[NH2+][C@@H]1CCOC[C@H]1[C@H]1CCC[NH2+]1)C1CCCC1 ZINC000422833489 296341352 /nfs/dbraw/zinc/34/13/52/296341352.db2.gz YUGCBFAMNOVVHZ-WJFTUGDTSA-N 2 0 324.509 2.719 20 0 DFADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]Cc1cnn(-c2ccccc2)c1 ZINC000422832513 296341527 /nfs/dbraw/zinc/34/15/27/296341527.db2.gz XUOVJWKRKVKDQJ-CQSZACIVSA-N 2 0 321.428 2.885 20 0 DFADRP C[C@H](NC[C@@H]1CCC[N@H+](Cc2cccs2)C1)[C@@H]1CCC[NH2+]1 ZINC000422834954 296341661 /nfs/dbraw/zinc/34/16/61/296341661.db2.gz HZWQVDBPUJQBGD-ZOBUZTSGSA-N 2 0 307.507 2.690 20 0 DFADRP C[C@H]1CC[NH2+]CC[C@H]1[NH2+]CC(C)(C)c1ccc2c(c1)OCCO2 ZINC000422834614 296341821 /nfs/dbraw/zinc/34/18/21/296341821.db2.gz ZVUJSDLXXACFJK-GOEBONIOSA-N 2 0 318.461 2.713 20 0 DFADRP CC[NH+](CC)[C@H](CN[C@H](C)[C@@H]1CC[NH2+]C1)Cc1ccccc1 ZINC000422836469 296342141 /nfs/dbraw/zinc/34/21/41/296342141.db2.gz RFHRPANSTWBTTD-QRQLOZEOSA-N 2 0 303.494 2.527 20 0 DFADRP O=C(CC[NH2+][C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1)N1CCCCCC1 ZINC000422844084 296343476 /nfs/dbraw/zinc/34/34/76/296343476.db2.gz KTSCAZVWUWIDCB-RCCFBDPRSA-N 2 0 321.509 2.680 20 0 DFADRP C[C@H](Cc1ccncc1)[NH2+][C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422839591 296342495 /nfs/dbraw/zinc/34/24/95/296342495.db2.gz QTYQDZQJWMZXIH-MOXGXCLJSA-N 2 0 323.440 2.858 20 0 DFADRP COc1ccccc1N1CCC([NH2+][C@@H](C)[C@H]2CCCC[NH2+]2)CC1 ZINC000422839247 296342506 /nfs/dbraw/zinc/34/25/06/296342506.db2.gz QCDZZQUHXDRFNW-DOTOQJQBSA-N 2 0 317.477 2.784 20 0 DFADRP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1[NH2+]CC1(c2ccc(F)cc2)CCC1 ZINC000422841417 296342670 /nfs/dbraw/zinc/34/26/70/296342670.db2.gz CYNDZILFAMIEIM-JQFCIGGWSA-N 2 0 306.425 2.589 20 0 DFADRP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+]CC1(c2ccccc2)CCOCC1 ZINC000422841837 296342678 /nfs/dbraw/zinc/34/26/78/296342678.db2.gz DSTHCFYGWXAGEP-MSOLQXFVSA-N 2 0 302.462 2.984 20 0 DFADRP Cc1nn(-c2ccc(F)cc2)cc1C[NH2+][C@H]1CC[NH2+]CC[C@H]1C ZINC000422840617 296342780 /nfs/dbraw/zinc/34/27/80/296342780.db2.gz BVTRKSLMIHUSBA-ACJLOTCBSA-N 2 0 316.424 2.798 20 0 DFADRP Cc1nn(-c2ccc(F)cc2)cc1C[NH2+][C@@H]1CC[NH2+]CC[C@@H]1C ZINC000422840626 296342843 /nfs/dbraw/zinc/34/28/43/296342843.db2.gz BVTRKSLMIHUSBA-SCLBCKFNSA-N 2 0 316.424 2.798 20 0 DFADRP C[C@H](NC1CC[NH+](CCc2ccccc2)CC1)[C@@H]1CCCC[NH2+]1 ZINC000422841331 296342848 /nfs/dbraw/zinc/34/28/48/296342848.db2.gz CTKMEXWJLRSZQD-PXNSSMCTSA-N 2 0 315.505 2.814 20 0 DFADRP C[C@H](C[C@H](C)[NH3+])[NH2+]C[C@@H](C)Oc1ccccc1Br ZINC000422842875 296343068 /nfs/dbraw/zinc/34/30/68/296343068.db2.gz ZJWMGVZLZHCZPM-QJPTWQEYSA-N 2 0 315.255 2.932 20 0 DFADRP COc1cc2[nH]c(CCC[NH2+][C@@H]3CCC[C@H]3[NH3+])cc2c(OC)c1 ZINC000422849775 296344637 /nfs/dbraw/zinc/34/46/37/296344637.db2.gz COGZFNOQVFBINM-HZPDHXFCSA-N 2 0 317.433 2.587 20 0 DFADRP C[C@H]([NH2+]Cc1ccc(C[N@@H+]2CCCC[C@@H]2C)cc1)C1C[NH2+]C1 ZINC000422853430 296345391 /nfs/dbraw/zinc/34/53/91/296345391.db2.gz BTTGEPYYHFLQAN-HOTGVXAUSA-N 3 0 301.478 2.759 20 0 DFADRP Cc1cc(C)n(-c2ccc(CC[NH2+][C@H]3CCC[NH2+]CC3)cc2)n1 ZINC000422856551 296345706 /nfs/dbraw/zinc/34/57/06/296345706.db2.gz GGVSXUWXZOFMDH-SFHVURJKSA-N 2 0 312.461 2.763 20 0 DFADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]C[C@@H](C)N1CCC[C@@H](C)C1 ZINC000422860812 296346409 /nfs/dbraw/zinc/34/64/09/296346409.db2.gz LUVXPWIJOLFNTQ-KFWWJZLASA-N 2 0 304.482 2.620 20 0 DFADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]C[C@@H](C)N1CCC[C@H](C)C1 ZINC000422860814 296346485 /nfs/dbraw/zinc/34/64/85/296346485.db2.gz LUVXPWIJOLFNTQ-ZNMIVQPWSA-N 2 0 304.482 2.620 20 0 DFADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]C[C@@H](C)N1CCCC[C@@H]1C ZINC000422863416 296346685 /nfs/dbraw/zinc/34/66/85/296346685.db2.gz OYWPOHRBZRQUFD-ZNMIVQPWSA-N 2 0 304.482 2.762 20 0 DFADRP COc1ccc(C(C)(C)C[NH2+][C@@H]2CC[NH2+]CC[C@H]2C)cc1OC ZINC000422864772 296346870 /nfs/dbraw/zinc/34/68/70/296346870.db2.gz VZHCHQHSXUYIBN-GDBMZVCRSA-N 2 0 320.477 2.959 20 0 DFADRP C[C@H]([NH3+])[C@@H](Cc1ccccc1)N[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000422865551 296347064 /nfs/dbraw/zinc/34/70/64/296347064.db2.gz YMNFWCDNVMJKJL-KVSKMBFKSA-N 2 0 301.478 2.551 20 0 DFADRP CC[C@@H]([NH2+]C1CCN(CC(F)(F)F)CC1)[C@@H]1CCCC[NH2+]1 ZINC000422857570 296345886 /nfs/dbraw/zinc/34/58/86/296345886.db2.gz HABGCKDOKUCCNT-KGLIPLIRSA-N 2 0 307.404 2.523 20 0 DFADRP C[C@@H]1CCC[N@H+](CCN[C@H]2CC[NH2+][C@@H](c3ccccc3)C2)C1 ZINC000422860044 296346146 /nfs/dbraw/zinc/34/61/46/296346146.db2.gz KYPYJLGANPPQPC-NZSAHSFTSA-N 2 0 301.478 2.801 20 0 DFADRP Cc1c(Cl)cccc1NC(=O)CC[NH2+][C@@H](C)[C@@H]1CC[NH2+]C1 ZINC000422859641 296346168 /nfs/dbraw/zinc/34/61/68/296346168.db2.gz KOCYLIPBYKPGCT-QWHCGFSZSA-N 2 0 309.841 2.565 20 0 DFADRP FC(F)(F)CN1CCC([NH2+][C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)CC1 ZINC000422859356 296346289 /nfs/dbraw/zinc/34/62/89/296346289.db2.gz JZQUKPYBTBJOPN-SOUVJXGZSA-N 2 0 319.415 2.523 20 0 DFADRP CN(CCC[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1)CC(F)(F)F ZINC000422867693 296347495 /nfs/dbraw/zinc/34/74/95/296347495.db2.gz SZACFWNZVFVLAU-QLFBSQMISA-N 2 0 321.431 2.771 20 0 DFADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]Cc1csc(Br)c1 ZINC000422869619 296347795 /nfs/dbraw/zinc/34/77/95/296347795.db2.gz XTQWJQCWAPEQPV-MWLCHTKSSA-N 2 0 303.269 2.988 20 0 DFADRP C[C@@H]([NH2+][C@@H](C)CCC[NH3+])c1ccc(NC(=O)NC2CC2)cc1 ZINC000422877365 296349054 /nfs/dbraw/zinc/34/90/54/296349054.db2.gz HWDWPNAUBHQQCQ-QWHCGFSZSA-N 2 0 304.438 2.749 20 0 DFADRP Cc1ccccc1C1(C[NH2+]C2CCC([NH3+])CC2)CCOCC1 ZINC000422877978 296349092 /nfs/dbraw/zinc/34/90/92/296349092.db2.gz JFWPGKRAYTTYDN-UHFFFAOYSA-N 2 0 302.462 2.903 20 0 DFADRP C[C@@H]1CCC[N@H+](Cc2ccccc2CN[C@@H]2CCC[C@@H]2[NH3+])C1 ZINC000422874836 296348720 /nfs/dbraw/zinc/34/87/20/296348720.db2.gz DINFTDGXKHFZPP-AYOQOUSVSA-N 2 0 301.478 2.888 20 0 DFADRP Cc1ccc(C[NH2+][C@@H]2CC[NH2+]CC[C@@H]2C)c(O[C@H]2CCOC2)c1 ZINC000422881517 296349929 /nfs/dbraw/zinc/34/99/29/296349929.db2.gz YUNSPRNDSAGVPM-RYQLBKOJSA-N 2 0 318.461 2.640 20 0 DFADRP CC[C@@H](NC[C@@H](c1ccc(C)o1)[NH+]1CCCC1)[C@@H]1CCC[NH2+]1 ZINC000422885623 296350619 /nfs/dbraw/zinc/35/06/19/296350619.db2.gz YZVROJXJYLOCBE-IKGGRYGDSA-N 2 0 305.466 2.845 20 0 DFADRP CCOCCC1(C[NH2+][C@@H]2CCOC[C@@H]2[C@@H]2CCC[NH2+]2)CCCC1 ZINC000422885512 296350609 /nfs/dbraw/zinc/35/06/09/296350609.db2.gz GWFJCBQLCVDIOY-FGTMMUONSA-N 2 0 324.509 2.720 20 0 DFADRP COc1cccc(C)c1C[NH2+]CC1(SC)CC[NH+](C)CC1 ZINC000602668977 399512640 /nfs/dbraw/zinc/51/26/40/399512640.db2.gz ZCCYJTCNRBUKCT-UHFFFAOYSA-N 2 0 308.491 2.921 20 0 DFADRP CCOc1ccc(C2(C[NH2+][C@H]3CCC[C@@H]3[NH3+])CCOCC2)cc1 ZINC000422885964 296350624 /nfs/dbraw/zinc/35/06/24/296350624.db2.gz ZTHOIDQMHBJWJP-ROUUACIJSA-N 2 0 318.461 2.603 20 0 DFADRP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1[NH2+][C@H]1CCC[NH2+]CC1 ZINC000422889957 296351285 /nfs/dbraw/zinc/35/12/85/296351285.db2.gz RAJLCMJUSJJIFX-LMMKCTJWSA-N 3 0 315.505 2.875 20 0 DFADRP C[C@@H]([NH2+][C@H]1[C@H](C)C[N@@H+](Cc2ccccc2)C[C@@H]1C)[C@H]1CC[NH2+]C1 ZINC000422891027 296351468 /nfs/dbraw/zinc/35/14/68/296351468.db2.gz UKTMMCCVILLYIS-YSDSKTICSA-N 3 0 315.505 2.731 20 0 DFADRP COc1cccc(N2CC[C@H](C[NH2+][C@@H](C)[C@H]3CCCC[NH2+]3)C2)c1 ZINC000422899818 296352814 /nfs/dbraw/zinc/35/28/14/296352814.db2.gz IGZQBYHTSXWDIU-FRQCXROJSA-N 2 0 317.477 2.642 20 0 DFADRP [NH3+]C1CCC([NH2+][C@H]2CCCN(Cc3c(F)cccc3F)C2)CC1 ZINC000422901764 296353033 /nfs/dbraw/zinc/35/30/33/296353033.db2.gz CEKRVIRPTSRXGG-NRXISQOPSA-N 2 0 323.431 2.789 20 0 DFADRP COc1ccc(COCCC[NH2+][C@@H]2CCCCC[C@@H]2[NH3+])cc1 ZINC000422900606 296353075 /nfs/dbraw/zinc/35/30/75/296353075.db2.gz APPKUOYTXYEMLI-ZWKOTPCHSA-N 2 0 306.450 2.852 20 0 DFADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]CC1CC[NH+](Cc2ccccc2)CC1 ZINC000422900923 296353090 /nfs/dbraw/zinc/35/30/90/296353090.db2.gz KIKKDOIAZAAFJI-XLIONFOSSA-N 3 0 315.505 2.876 20 0 DFADRP COc1ccc(C)cc1C1(C[NH2+][C@@H]2CCC[C@@H]2[NH3+])CCOCC1 ZINC000422902141 296353321 /nfs/dbraw/zinc/35/33/21/296353321.db2.gz TVBWSHZWDXKGNA-DLBZAZTESA-N 2 0 318.461 2.521 20 0 DFADRP COc1ccc(OCCC[NH2+][C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)cc1 ZINC000422894744 296351864 /nfs/dbraw/zinc/35/18/64/296351864.db2.gz DCWJBMGMLUENIB-GUDVDZBRSA-N 2 0 318.461 2.974 20 0 DFADRP Cc1ccccc1C[NH+]1CCC(N[C@@H]2CCC[C@H]2C[NH3+])CC1 ZINC000422893710 296351867 /nfs/dbraw/zinc/35/18/67/296351867.db2.gz AOHDKDVDRSAXLV-QFBILLFUSA-N 2 0 301.478 2.676 20 0 DFADRP CC[C@@H](C)NC(=O)c1cccc(C[NH2+][C@@H](C)CCCC[NH3+])c1 ZINC000422892495 296351953 /nfs/dbraw/zinc/35/19/53/296351953.db2.gz NCHNJGSWOHCSAV-CABCVRRESA-N 2 0 305.466 2.822 20 0 DFADRP CC[C@H](C)NC(=O)c1cccc(C[NH2+][C@H]2CCCC[C@H]2C[NH3+])c1 ZINC000422895022 296352140 /nfs/dbraw/zinc/35/21/40/296352140.db2.gz UXGRCLVLHALQIR-WBAXXEDZSA-N 2 0 317.477 2.822 20 0 DFADRP Cc1nc(CC[NH2+][C@H](Cc2ccccc2)[C@@H](C)[NH3+])sc1C ZINC000422895059 296352269 /nfs/dbraw/zinc/35/22/69/296352269.db2.gz VDJXQVNOLCLLBT-MLGOLLRUSA-N 2 0 303.475 2.851 20 0 DFADRP Cc1ccc(C[NH2+][C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)cn1 ZINC000422896554 296352472 /nfs/dbraw/zinc/35/24/72/296352472.db2.gz IMYBAUGSCLHZAB-IEBWSBKVSA-N 2 0 309.413 2.736 20 0 DFADRP Cc1ccccc1C1(C[NH2+][C@@H]2CCOC[C@@H]2[C@H]2CCC[NH2+]2)CC1 ZINC000422898593 296352474 /nfs/dbraw/zinc/35/24/74/296352474.db2.gz FPXGGJDOGXKWIA-BHIYHBOVSA-N 2 0 314.473 2.773 20 0 DFADRP C[C@H](C[C@@H]1CCCO1)[NH2+][C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422898569 296352504 /nfs/dbraw/zinc/35/25/04/296352504.db2.gz FKTGBONYKWJFFB-WXSAJPJJSA-N 2 0 316.445 2.790 20 0 DFADRP CCOC1CC([NH+](C)C/C=C\C[N@@H+](C)C2CC(OCC)C2)C1 ZINC000347453828 285045414 /nfs/dbraw/zinc/04/54/14/285045414.db2.gz MPCWFMYHXCRAFG-FPLPWBNLSA-N 2 0 310.482 2.541 20 0 DFADRP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CCCN(Cc2c(F)cccc2F)C1 ZINC000422903267 296353862 /nfs/dbraw/zinc/35/38/62/296353862.db2.gz FHHWGINRXFXTSJ-IYOUNJFTSA-N 2 0 323.431 2.646 20 0 DFADRP COc1ccc(Cl)cc1N1CC[C@H]([NH2+][C@@H](C)C[C@H](C)[NH3+])C1 ZINC000422906547 296354216 /nfs/dbraw/zinc/35/42/16/296354216.db2.gz KFEIXVUJDROQTH-OBJOEFQTSA-N 2 0 311.857 2.643 20 0 DFADRP C[C@@H]([NH3+])C[C@@H](C)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000422907234 296354220 /nfs/dbraw/zinc/35/42/20/296354220.db2.gz LDWZEEDNRYDQNW-ZLTBNTPESA-N 2 0 301.478 2.897 20 0 DFADRP Fc1cccc(CCC[NH2+][C@@H]2CCOC[C@@H]2[C@@H]2CCC[NH2+]2)c1 ZINC000422910456 296354670 /nfs/dbraw/zinc/35/46/70/296354670.db2.gz QNQLUQJTYPTWGA-FGTMMUONSA-N 2 0 306.425 2.505 20 0 DFADRP CCOC1CC([NH+](C)C/C=C/C[N@@H+](C)C2CC(OCC)C2)C1 ZINC000347453826 285045325 /nfs/dbraw/zinc/04/53/25/285045325.db2.gz MPCWFMYHXCRAFG-BQYQJAHWSA-N 2 0 310.482 2.541 20 0 DFADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]C[C@@H]1CCCO[C@H]1C(C)C ZINC000422921707 296355574 /nfs/dbraw/zinc/35/55/74/296355574.db2.gz QQAVYJDDSZPWBT-YEWWUXTCSA-N 2 0 305.466 2.951 20 0 DFADRP Cc1ccoc1C(=O)NCCC[NH2+][C@H](C)C[C@@H]1CCCCC[NH2+]1 ZINC000422922331 296355811 /nfs/dbraw/zinc/35/58/11/296355811.db2.gz PZKLCHGMLDTOKP-CVEARBPZSA-N 2 0 321.465 2.608 20 0 DFADRP CC(C)[C@H](C[NH2+][C@@H](C)CCC[NH3+])N1CCc2ccccc2C1 ZINC000422925185 296356007 /nfs/dbraw/zinc/35/60/07/296356007.db2.gz APSCKKUWQQZFJD-LPHOPBHVSA-N 2 0 303.494 2.786 20 0 DFADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]CCc1nc2ccccc2n1C(F)F ZINC000422912603 296354966 /nfs/dbraw/zinc/35/49/66/296354966.db2.gz NNSXQYHMOQYGKV-CHWSQXEVSA-N 2 0 322.403 2.952 20 0 DFADRP [NH3+]C[C@@H]1CCC[C@H]1[NH2+]CCc1ccccc1OC(F)(F)F ZINC000422929135 296356606 /nfs/dbraw/zinc/35/66/06/296356606.db2.gz OIXDXBFPLLCSLL-QWHCGFSZSA-N 2 0 302.340 2.845 20 0 DFADRP C[C@H](CCCC[NH3+])[NH2+][C@@H]1CCN(c2ccc(Cl)cc2)C1=O ZINC000422927433 296356638 /nfs/dbraw/zinc/35/66/38/296356638.db2.gz YUPUXVWKTTUXNU-IUODEOHRSA-N 2 0 309.841 2.552 20 0 DFADRP CC[C@H]([NH2+]CCCc1ccc2c(c1)OCCO2)[C@@H]1CCCC[NH2+]1 ZINC000422929639 296356786 /nfs/dbraw/zinc/35/67/86/296356786.db2.gz QVQSGHSTBPSQBE-IRXDYDNUSA-N 2 0 318.461 2.901 20 0 DFADRP [NH3+][C@H]1CCCCC[C@@H]1[NH2+]CCc1cc(Cl)c2c(c1)OCCO2 ZINC000422929432 296356914 /nfs/dbraw/zinc/35/69/14/296356914.db2.gz PZQSOGHLLKYNNQ-GJZGRUSLSA-N 2 0 324.852 2.903 20 0 DFADRP CSC1(C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)CCOCC1 ZINC000422923647 296356190 /nfs/dbraw/zinc/35/61/90/296356190.db2.gz SHOUVUMRQWAFHU-ARFHVFGLSA-N 2 0 312.523 2.799 20 0 DFADRP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+]CCc1cc(Cl)c2c(c1)OCCO2 ZINC000422929431 296356416 /nfs/dbraw/zinc/35/64/16/296356416.db2.gz PZQSOGHLLKYNNQ-CABCVRRESA-N 2 0 324.852 2.903 20 0 DFADRP CC(C)[C@H](C[NH2+][C@@H]1CCC[C@@H]1C[NH3+])N1CCc2ccccc2C1 ZINC000422937714 296357962 /nfs/dbraw/zinc/35/79/62/296357962.db2.gz KAARPYWRKMIFTO-RLLQIKCJSA-N 2 0 315.505 2.786 20 0 DFADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]CCCc1nc(C(C)C)no1 ZINC000422941889 296358549 /nfs/dbraw/zinc/35/85/49/296358549.db2.gz VYEVJHJQXZQQLN-GFCCVEGCSA-N 2 0 317.437 2.639 20 0 DFADRP COC[C@H](CCC[NH3+])[NH2+]Cc1ccc(OC2CCCC2)cc1 ZINC000422935862 296357586 /nfs/dbraw/zinc/35/75/86/296357586.db2.gz AWPHXMDRCGTGLL-INIZCTEOSA-N 2 0 306.450 2.852 20 0 DFADRP [NH3+]C1CCC([NH2+][C@@H](c2ccc3c(c2)OCCO3)C2CC2)CC1 ZINC000422946438 296359256 /nfs/dbraw/zinc/35/92/56/296359256.db2.gz OOBKLSUFGBIJPS-JTTJXQCZSA-N 2 0 302.418 2.768 20 0 DFADRP CCc1noc(-c2ccc(CC[NH2+][C@H](C)CCCC[NH3+])cc2)n1 ZINC000422947382 296359507 /nfs/dbraw/zinc/35/95/07/296359507.db2.gz QKRAGVHTNAYBRE-CQSZACIVSA-N 2 0 316.449 2.949 20 0 DFADRP CC[C@H]([NH2+][C@H](C)[C@@H]1CCC[NH2+]C1)c1ccc2c(c1)OCCO2 ZINC000422949366 296359570 /nfs/dbraw/zinc/35/95/70/296359570.db2.gz TXCBNFPZKQYJQH-BMFZPTHFSA-N 2 0 304.434 2.887 20 0 DFADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]CCCOc1cccc2cccnc21 ZINC000422956239 296360783 /nfs/dbraw/zinc/36/07/83/296360783.db2.gz OVHVXRLDYBLMSP-NVXWUHKLSA-N 2 0 313.445 2.981 20 0 DFADRP [NH3+]C[C@@H]1CCC[C@H]1[NH2+]CCOc1ccccc1C(F)(F)F ZINC000422958078 296361027 /nfs/dbraw/zinc/36/10/27/296361027.db2.gz OLTBFTNVIIHZJQ-WCQYABFASA-N 2 0 302.340 2.801 20 0 DFADRP CC[C@@H](C)C(=O)Nc1cccc(C[NH2+][C@H]2CCC[NH2+]CC2)c1 ZINC000422951570 296360115 /nfs/dbraw/zinc/36/01/15/296360115.db2.gz ZAYNVZPUIUNRBU-ZBFHGGJFSA-N 2 0 303.450 2.903 20 0 DFADRP C[C@H]([NH2+]CCOc1ccccc1C(F)(F)F)[C@@H]1CC[NH2+]C1 ZINC000422954913 296360215 /nfs/dbraw/zinc/36/02/15/296360215.db2.gz INCZWDGEQREWTI-NWDGAFQWSA-N 2 0 302.340 2.672 20 0 DFADRP [NH3+]C1CCC([NH2+]CCc2nc(-c3ccc(Cl)cc3)no2)CC1 ZINC000422961329 296361356 /nfs/dbraw/zinc/36/13/56/296361356.db2.gz YWOGBWGTPOHXJD-UHFFFAOYSA-N 2 0 320.824 2.792 20 0 DFADRP C[C@H]([NH3+])C[C@H](C)[NH2+]Cc1ccc(COC2CCOCC2)cc1 ZINC000422960076 296361359 /nfs/dbraw/zinc/36/13/59/296361359.db2.gz AQCARWWQMARYFI-GJZGRUSLSA-N 2 0 306.450 2.598 20 0 DFADRP C[C@@H]([NH3+])C[C@@H](C)[NH2+]Cc1ccc(COC2CCOCC2)cc1 ZINC000422960077 296361365 /nfs/dbraw/zinc/36/13/65/296361365.db2.gz AQCARWWQMARYFI-HUUCEWRRSA-N 2 0 306.450 2.598 20 0 DFADRP CC1CC[NH+](Cc2ccccc2C[NH2+]C2CC[NH2+]CC2)CC1 ZINC000422965967 296361879 /nfs/dbraw/zinc/36/18/79/296361879.db2.gz MJFFMFHHWISUOK-UHFFFAOYSA-N 3 0 301.478 2.760 20 0 DFADRP Cc1nn(-c2ccccc2)cc1CCC[NH2+][C@@H](C)CCC[NH3+] ZINC000422964870 296362113 /nfs/dbraw/zinc/36/21/13/296362113.db2.gz MWZMQHBCTJATSD-HNNXBMFYSA-N 2 0 300.450 2.830 20 0 DFADRP CCc1noc(-c2ccc(CC[NH2+][C@@H]3CCC[C@H]3C[NH3+])cc2)n1 ZINC000422957641 296361131 /nfs/dbraw/zinc/36/11/31/296361131.db2.gz NUEWRUZPQCCKGL-JKSUJKDBSA-N 2 0 314.433 2.559 20 0 DFADRP CCOC(=O)C1([C@H](C)[NH2+][C@@H]2CCCc3occc32)CC[NH2+]CC1 ZINC000422969060 296362788 /nfs/dbraw/zinc/36/27/88/296362788.db2.gz YOGSYLSQOJKSLQ-DZGCQCFKSA-N 2 0 320.433 2.568 20 0 DFADRP C[C@@H](NC1CC[NH+]([C@@H](C)c2ccncc2)CC1)[C@H]1CCCC[NH2+]1 ZINC000422970729 296362969 /nfs/dbraw/zinc/36/29/69/296362969.db2.gz WTTRWQPFFIZOHE-JTDSTZFVSA-N 2 0 316.493 2.727 20 0 DFADRP C[C@H](CCCC[NH3+])[NH2+]C1CCN([C@@H](C)c2ccncc2)CC1 ZINC000422965529 296362298 /nfs/dbraw/zinc/36/22/98/296362298.db2.gz LIIJDRSJHKMVFR-CVEARBPZSA-N 2 0 304.482 2.714 20 0 DFADRP CCOC(=O)C1([C@H](C)[NH2+][C@@H](C)CCc2ccco2)CC[NH2+]CC1 ZINC000422969284 296362472 /nfs/dbraw/zinc/36/24/72/296362472.db2.gz ZMSCADSPPHALLJ-GJZGRUSLSA-N 2 0 322.449 2.512 20 0 DFADRP C[C@H](NC[C@@H](c1ccco1)[NH+]1CCCCC1)[C@H]1CCCC[NH2+]1 ZINC000422967918 296362501 /nfs/dbraw/zinc/36/25/01/296362501.db2.gz UZJBNXFMYNYWBK-BBWFWOEESA-N 2 0 305.466 2.927 20 0 DFADRP C[C@@H](CCC[NH3+])[NH2+]C[C@H](CO)Cc1ccccc1C(F)(F)F ZINC000422986658 296364298 /nfs/dbraw/zinc/36/42/98/296364298.db2.gz DBTRQPWOPADDDS-QWHCGFSZSA-N 2 0 318.383 2.573 20 0 DFADRP c1ccc(CO[C@H]2CCC[C@H]2[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000422987351 296364402 /nfs/dbraw/zinc/36/44/02/296364402.db2.gz GAMMUHHDMSIUKR-VEHMJYNQSA-N 2 0 300.446 2.997 20 0 DFADRP C[C@H]([NH3+])C[C@H](C)[NH2+]CCc1nc(-c2cccc(Cl)c2)no1 ZINC000422976443 296363379 /nfs/dbraw/zinc/36/33/79/296363379.db2.gz DEZFZBLVNUNEOB-QWRGUYRKSA-N 2 0 308.813 2.648 20 0 DFADRP C[C@H](C[C@H](C)[NH3+])[NH2+]Cc1ccc(N2CCc3ccccc3C2)nc1 ZINC000422972534 296363407 /nfs/dbraw/zinc/36/34/07/296363407.db2.gz MAGGYMYDLROHIZ-JKSUJKDBSA-N 2 0 324.472 2.860 20 0 DFADRP C[C@H](CCCC[NH3+])Nc1cccc(C[NH+]2CCC(CO)CC2)c1 ZINC000422980325 296363769 /nfs/dbraw/zinc/36/37/69/296363769.db2.gz LMXMKXXHMJRVTB-MRXNPFEDSA-N 2 0 319.493 2.820 20 0 DFADRP CC(C)C[C@H](C)Oc1cc(C[NH2+][C@H](C)[C@H]2CC[NH2+]C2)ccn1 ZINC000422982411 296363917 /nfs/dbraw/zinc/36/39/17/296363917.db2.gz WPSOZMJTUKLLER-UXLLHSPISA-N 2 0 305.466 2.983 20 0 DFADRP Cc1ccc([C@H](Cn2ccnc2)[NH2+][C@H](C)CCC[NH3+])c(C)c1 ZINC000422997400 296365216 /nfs/dbraw/zinc/36/52/16/296365216.db2.gz OAXHQKCMLWXRRR-AEFFLSMTSA-N 2 0 300.450 2.958 20 0 DFADRP CC[C@@H]([NH2+]CC1CCN(c2cc[nH+]cc2)CC1)[C@H]1CCCC[NH2+]1 ZINC000422989034 296364537 /nfs/dbraw/zinc/36/45/37/296364537.db2.gz LKOVXCGCROOHDO-RTBURBONSA-N 3 0 316.493 2.808 20 0 DFADRP [NH3+][C@H]1CCCCC[C@H]1[NH2+]CCOc1ncccc1C(F)(F)F ZINC000422991307 296364699 /nfs/dbraw/zinc/36/46/99/296364699.db2.gz AVLLKGBUYTUFIE-QWHCGFSZSA-N 2 0 317.355 2.729 20 0 DFADRP COCCCOc1cccc(C[NH2+][C@H]2CC[NH2+]CC[C@H]2C)c1 ZINC000423002090 296365835 /nfs/dbraw/zinc/36/58/35/296365835.db2.gz IUDGBPWUDANFSP-QAPCUYQASA-N 2 0 306.450 2.580 20 0 DFADRP C[C@@H]([NH2+]Cc1cccc(COCC(F)(F)F)c1)[C@H]1CC[NH2+]C1 ZINC000422997186 296365334 /nfs/dbraw/zinc/36/53/34/296365334.db2.gz AULDWBLXFMQTCI-DOMZBBRYSA-N 2 0 316.367 2.853 20 0 DFADRP CC(C)[NH+]1CCC(N[C@@H]2CC[NH2+][C@H](c3ccccc3)C2)CC1 ZINC000422996739 296365379 /nfs/dbraw/zinc/36/53/79/296365379.db2.gz UFUPWSBGGRRKDN-MOPGFXCFSA-N 2 0 301.478 2.942 20 0 DFADRP [NH3+][C@H]1CCCCC[C@@H]1[NH2+]CC1CCN(c2cc[nH+]cc2)CC1 ZINC000422997692 296365658 /nfs/dbraw/zinc/36/56/58/296365658.db2.gz VKBDKSBXNLZXLF-ROUUACIJSA-N 3 0 302.466 2.548 20 0 DFADRP CCN(C[C@H]1CC[N@H+](CCC2CC[NH2+]CC2)C1)CC(F)(F)F ZINC000359196985 285089380 /nfs/dbraw/zinc/08/93/80/285089380.db2.gz AJJBIILQRFOUOZ-OAHLLOKOSA-N 2 0 321.431 2.582 20 0 DFADRP Cc1cncc(C[NH2+][C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)c1 ZINC000423010234 296366922 /nfs/dbraw/zinc/36/69/22/296366922.db2.gz FYJQTHDJVXPQNA-IEBWSBKVSA-N 2 0 309.413 2.736 20 0 DFADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CCCN(c2ccccc2F)C1 ZINC000423014049 296367893 /nfs/dbraw/zinc/36/78/93/296367893.db2.gz NYUBGJBYJBBNOO-ZOBUZTSGSA-N 2 0 305.441 2.902 20 0 DFADRP CC(C)CSCCC[NH2+][C@@H]1CCOC[C@H]1[C@H]1CCC[NH2+]1 ZINC000423013238 296367418 /nfs/dbraw/zinc/36/74/18/296367418.db2.gz MIKAUFPOYWNZCP-ARFHVFGLSA-N 2 0 300.512 2.512 20 0 DFADRP C[N@@H+]1CC[C@H]([NH2+]C[C@@H]2Cc3ccccc3CO2)[C@H]2CCC[C@@H]21 ZINC000624055693 399537842 /nfs/dbraw/zinc/53/78/42/399537842.db2.gz MRABSRFVGYJZKO-RDGPPVDQSA-N 2 0 300.446 2.590 20 0 DFADRP CC[N@H+](Cc1ccc(C(=O)N[C@H]2CCC[C@H]2C[NH3+])cc1)C(C)C ZINC000246558458 285098575 /nfs/dbraw/zinc/09/85/75/285098575.db2.gz UGVAZIQJWMDREC-ROUUACIJSA-N 2 0 317.477 2.774 20 0 DFADRP C[C@H]([NH3+])[C@H](Cc1ccccc1)NCC1(C[NH+](C)C)CCCC1 ZINC000423033386 296370255 /nfs/dbraw/zinc/37/02/55/296370255.db2.gz GLIZTYCBGMASRY-WMZOPIPTSA-N 2 0 303.494 2.657 20 0 DFADRP Cc1cccc2c1C[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@@H]3CCC[C@@H]31)CO2 ZINC000624070617 399543168 /nfs/dbraw/zinc/54/31/68/399543168.db2.gz LFHWPAFYBBHEPZ-BURFUSLBSA-N 2 0 300.446 2.761 20 0 DFADRP Fc1ccc([C@@H]2C[C@@H]([NH2+]C3C[C@H]4CC[C@@H](C3)[NH2+]4)CCO2)cc1 ZINC000423033790 296370343 /nfs/dbraw/zinc/37/03/43/296370343.db2.gz GYBDAXBBFZDBCF-VTEPJNGRSA-N 2 0 304.409 2.918 20 0 DFADRP COc1ccc(C[C@H](C)C[NH2+][C@H](C)[C@@H]2CCC[NH2+]2)cc1OC ZINC000423033973 296370370 /nfs/dbraw/zinc/37/03/70/296370370.db2.gz ZZAJLVHHMQCWAU-LZWOXQAQSA-N 2 0 306.450 2.613 20 0 DFADRP COC[C@H](CCC[NH3+])[NH2+][C@H](C)[C@H](OC)c1ccccc1Cl ZINC000423029406 296369720 /nfs/dbraw/zinc/36/97/20/296369720.db2.gz AASYRAMTWUMPMG-WWGRRREGSA-N 2 0 314.857 2.760 20 0 DFADRP CC[N@H+](Cc1ccc(C(=O)N2CC[C@H]([C@@H](C)[NH3+])C2)cc1)C(C)C ZINC000272241673 285097812 /nfs/dbraw/zinc/09/78/12/285097812.db2.gz KXTLPWYRGYQYPW-QAPCUYQASA-N 2 0 317.477 2.726 20 0 DFADRP Cc1cc(C[NH2+][C@@H]2CCOC[C@H]2[C@@H]2CCC[NH2+]2)ccc1Cl ZINC000423031424 296370002 /nfs/dbraw/zinc/37/00/02/296370002.db2.gz DHIDJWPXMOSAKE-BHYGNILZSA-N 2 0 308.853 2.895 20 0 DFADRP C[C@H]([NH3+])[C@@H]1COCC[C@H]1[NH2+]Cc1ccccc1N1CCCCC1 ZINC000423041995 296371109 /nfs/dbraw/zinc/37/11/09/296371109.db2.gz KCLKCYKIIULZMP-RYQLBKOJSA-N 2 0 317.477 2.519 20 0 DFADRP CC(C)(C)[C@H](CCO)[NH2+][C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423039801 296370557 /nfs/dbraw/zinc/37/05/57/296370557.db2.gz RTDQEZLRWXGGBT-IEZWGBDMSA-N 2 0 318.461 2.629 20 0 DFADRP Cc1nc(C[NH3+])ccc1[C@H](C)NCC1(C[NH+](C)C)CCCC1 ZINC000423039682 296370589 /nfs/dbraw/zinc/37/05/89/296370589.db2.gz QYDIGDSHWHLMEL-AWEZNQCLSA-N 2 0 304.482 2.621 20 0 DFADRP CCC(CC)(C[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1)C(=O)OC ZINC000423039324 296370673 /nfs/dbraw/zinc/37/06/73/296370673.db2.gz QIHZVGKHOUCPEY-HRCADAONSA-N 2 0 310.482 2.866 20 0 DFADRP COC[C@@H](CCC[NH3+])[NH2+][C@@H]1CCc2[nH]c3ccc(C)cc3c2C1 ZINC000423039652 296370707 /nfs/dbraw/zinc/37/07/07/296370707.db2.gz FVMJYTUSEZLHJX-HUUCEWRRSA-N 2 0 315.461 2.677 20 0 DFADRP C[C@H]([NH2+][C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1)C1C[NH2+]C1 ZINC000423042838 296371388 /nfs/dbraw/zinc/37/13/88/296371388.db2.gz MHCLUJCZIFIBED-CMPLNLGQSA-N 2 0 314.260 2.770 20 0 DFADRP COc1cccc([C@@H]2[C@H]([NH2+][C@@H](C)CCC[NH3+])CCN2C2CC2)c1 ZINC000423044697 296371437 /nfs/dbraw/zinc/37/14/37/296371437.db2.gz RHSKTPNKVIMCOU-GDIGMMSISA-N 2 0 317.477 2.690 20 0 DFADRP C[NH+]1CCC(C)(C[NH2+][C@H]2CCN[C@@H](c3ccccc3)C2)CC1 ZINC000423047038 296371650 /nfs/dbraw/zinc/37/16/50/296371650.db2.gz UMYIVEZOOYHCEO-ZWKOTPCHSA-N 2 0 301.478 2.801 20 0 DFADRP C[NH+](C)[C@H](CN[C@H]1CCC[C@@H]1[NH3+])c1cccc(C(F)(F)F)c1 ZINC000423050025 296372029 /nfs/dbraw/zinc/37/20/29/296372029.db2.gz LBKYWULSYRZNOE-SOUVJXGZSA-N 2 0 315.383 2.778 20 0 DFADRP C[C@H]([NH2+][C@@H]1C[C@H](OCc2ccccc2)C1(C)C)[C@@H]1CC[NH2+]C1 ZINC000423053375 296372473 /nfs/dbraw/zinc/37/24/73/296372473.db2.gz RUMLZZJADGGSJW-HPBDAGMYSA-N 2 0 302.462 2.958 20 0 DFADRP Cn1cc([C@@H]([NH2+]C2CCC([NH3+])CC2)c2ccc(F)cc2)cn1 ZINC000423052296 296372574 /nfs/dbraw/zinc/37/25/74/296372574.db2.gz PMXLQLRTCYKIJC-JCYILVPMSA-N 2 0 302.397 2.508 20 0 DFADRP Cn1cc(CC[NH2+][C@H]2CCCC[C@@H]2C[NH3+])c2ccc(F)cc21 ZINC000423049321 296372178 /nfs/dbraw/zinc/37/21/78/296372178.db2.gz JOENLDBRTOVDOE-DYVFJYSZSA-N 2 0 303.425 2.967 20 0 DFADRP CC[C@H]([NH2+]C[C@]1(O)CCC[C@@H](C(F)(F)F)C1)[C@@H]1CCCC[NH2+]1 ZINC000423058464 296373231 /nfs/dbraw/zinc/37/32/31/296373231.db2.gz JNFBZDNYDSFUCF-QPSCCSFWSA-N 2 0 322.415 2.980 20 0 DFADRP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+]C[C@]1(O)CCC[C@H](C(F)(F)F)C1 ZINC000423062050 296373438 /nfs/dbraw/zinc/37/34/38/296373438.db2.gz SEEMRGZFIMIAOU-CRWXNKLISA-N 2 0 308.388 2.720 20 0 DFADRP C[C@H]([NH3+])[C@@H]1COCC[C@H]1[NH2+]CCCCCc1ccc(F)cc1 ZINC000423057966 296373172 /nfs/dbraw/zinc/37/31/72/296373172.db2.gz BDBRNRHABVZYFL-JCGIZDLHSA-N 2 0 308.441 2.880 20 0 DFADRP C[C@H](NC[C@H](C1CC1)[N@H+](C)Cc1ccccc1)[C@@H]1CCC[NH2+]1 ZINC000423059362 296373192 /nfs/dbraw/zinc/37/31/92/296373192.db2.gz FKIDQLCDZVIJQG-ZYSHUDEJSA-N 2 0 301.478 2.627 20 0 DFADRP CC(C)n1ncc2c1C[C@H]([NH2+][C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1)CC2 ZINC000423069551 296374433 /nfs/dbraw/zinc/37/44/33/296374433.db2.gz DUYKKBRBNXUMQE-VSZNYVQBSA-N 2 0 316.493 2.832 20 0 DFADRP Cc1ccc([C@H](C)[NH2+]Cc2ccnc(N3CC[NH+](C)CC3)c2)cc1 ZINC000159205895 197335672 /nfs/dbraw/zinc/33/56/72/197335672.db2.gz RWBQSJOSZZYJDV-KRWDZBQOSA-N 2 0 324.472 2.993 20 0 DFADRP OC[C@H](Cc1ccc(F)cc1)[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1 ZINC000423071721 296375019 /nfs/dbraw/zinc/37/50/19/296375019.db2.gz IBZNYAUGQZAOOE-CADBVGFASA-N 2 0 320.452 2.630 20 0 DFADRP C[C@@H](CCCC[NH3+])[NH2+]C[C@H]1CSCCN1Cc1ccccc1 ZINC000423070275 296375033 /nfs/dbraw/zinc/37/50/33/296375033.db2.gz CKYPQOKNCLRUDL-WMZOPIPTSA-N 2 0 321.534 2.711 20 0 DFADRP C[C@@H](O)[C@](C)(C[NH2+]C1CCC(C[NH3+])CC1)Cc1ccccc1 ZINC000423072468 296375083 /nfs/dbraw/zinc/37/50/83/296375083.db2.gz JKDWKMVAIXKOQV-HJZRJOMTSA-N 2 0 304.478 2.723 20 0 DFADRP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+]C[C@]1(CO)C[C@H]1c1ccc(F)cc1 ZINC000423075764 296375644 /nfs/dbraw/zinc/37/56/44/296375644.db2.gz PFBBODHYLRDBQP-MHORFTMASA-N 2 0 306.425 2.541 20 0 DFADRP C[C@](CO)(C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1)Cc1ccccc1 ZINC000423077232 296375714 /nfs/dbraw/zinc/37/57/14/296375714.db2.gz LSKOCAQKPBQZQF-IYWMVGAKSA-N 2 0 316.489 2.738 20 0 DFADRP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC[C@H]1CCC[NH+]1C ZINC000624100795 399553602 /nfs/dbraw/zinc/55/36/02/399553602.db2.gz HUCGMDJAFBCCKP-QXAKKESOSA-N 2 0 301.478 2.581 20 0 DFADRP CCO[C@H](C[NH2+][C@@H]1CCOC[C@@H]1[C@H]1CCC[NH2+]1)c1ccccc1 ZINC000423088266 296376870 /nfs/dbraw/zinc/37/68/70/296376870.db2.gz PQHCDUFMCKFPMT-NCXUSEDFSA-N 2 0 318.461 2.511 20 0 DFADRP c1cc(C2CC2)ccc1C[NH2+][C@@H]1CCOC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000423083287 296376447 /nfs/dbraw/zinc/37/64/47/296376447.db2.gz YNRSJJBZPGCRDH-GBESFXJTSA-N 2 0 300.446 2.811 20 0 DFADRP CC(C)[C@@H](C(=O)NC[C@@H]1CC[N@@H+](C(C)(C)C)C1)[NH+]1CCCCC1 ZINC000616994076 399557623 /nfs/dbraw/zinc/55/76/23/399557623.db2.gz UDZCWIUGYPZMCF-IRXDYDNUSA-N 2 0 323.525 2.734 20 0 DFADRP C[C@@H]([NH2+]CCc1cccc(OCC(F)(F)F)c1)[C@H]1CC[NH2+]C1 ZINC000423099894 296378270 /nfs/dbraw/zinc/37/82/70/296378270.db2.gz UOHPCSLJFUFJNX-OCCSQVGLSA-N 2 0 316.367 2.758 20 0 DFADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]C[C@@H](CO)CC1CCCC1 ZINC000423099799 296378275 /nfs/dbraw/zinc/37/82/75/296378275.db2.gz MLZPFIHVOHOVIH-CJNGLKHVSA-N 2 0 305.466 2.688 20 0 DFADRP CO[C@@H]1C[C@H](c2ccccc2)CC[C@@H]1[NH2+][C@H](C)[C@@H]1CC[NH2+]C1 ZINC000423101450 296378682 /nfs/dbraw/zinc/37/86/82/296378682.db2.gz CXZRHNGPMWLEQL-RXABAKJHSA-N 2 0 302.462 2.925 20 0 DFADRP CCS(=O)(=O)c1ccc([C@@H](C)[NH2+]C2CCC(C[NH3+])CC2)cc1 ZINC000423109023 296379245 /nfs/dbraw/zinc/37/92/45/296379245.db2.gz SCTGKFDJGNWORH-VQCLRJIVSA-N 2 0 324.490 2.648 20 0 DFADRP c1csc(N2CCC([NH2+][C@@H]3CCC[C@@H]3[C@@H]3CCC[NH2+]3)CC2)n1 ZINC000423108113 296379271 /nfs/dbraw/zinc/37/92/71/296379271.db2.gz SSYLZFCIMWLYMF-OWCLPIDISA-N 2 0 320.506 2.622 20 0 DFADRP C[NH+](C)Cc1ccsc1C(=O)NC[C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000616996962 399559484 /nfs/dbraw/zinc/55/94/84/399559484.db2.gz RNAVKXHAWYMAET-ZDUSSCGKSA-N 2 0 323.506 2.660 20 0 DFADRP COCCCOc1ccc(C[NH2+][C@@H]2CC[NH2+]CC[C@@H]2C)cc1 ZINC000423107062 296378914 /nfs/dbraw/zinc/37/89/14/296378914.db2.gz PFDHNNJHKQNEKW-MAUKXSAKSA-N 2 0 306.450 2.580 20 0 DFADRP CCOc1ccc(C[NH2+][C@H](CCC[NH3+])COC)cc1Cl ZINC000423106684 296378930 /nfs/dbraw/zinc/37/89/30/296378930.db2.gz ORXKKFDVWXIVOB-CYBMUJFWSA-N 2 0 300.830 2.582 20 0 DFADRP [NH3+]C[C@H]1CCCC[C@@H]1[NH2+]Cc1ccncc1OCC(F)(F)F ZINC000423106378 296378939 /nfs/dbraw/zinc/37/89/39/296378939.db2.gz RLGIUFCYGMTIOF-YPMHNXCESA-N 2 0 317.355 2.630 20 0 DFADRP CCc1noc(C2CCC([NH2+]C[C@H]3CCCC[N@H+](C)C3)CC2)n1 ZINC000624122633 399560837 /nfs/dbraw/zinc/56/08/37/399560837.db2.gz XDWJQPRNHKJCCI-QQFBHYJXSA-N 2 0 320.481 2.980 20 0 DFADRP C[N@@H+]1CCCC[C@H](C[NH2+]C2CCC(O)(C(F)(F)F)CC2)C1 ZINC000624121348 399560918 /nfs/dbraw/zinc/56/09/18/399560918.db2.gz UGLFJLPRNGRVLT-IYXRBSQSSA-N 2 0 308.388 2.544 20 0 DFADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]Cc1ccnc(OC(F)F)c1 ZINC000423111857 296379737 /nfs/dbraw/zinc/37/97/37/296379737.db2.gz WUPXFVPYFDQUGH-SNVBAGLBSA-N 2 0 322.359 2.696 20 0 DFADRP COCCCOc1ccc(C[NH2+][C@@H]2CCCC[C@@H]2C[NH3+])cc1 ZINC000423114060 296379992 /nfs/dbraw/zinc/37/99/92/296379992.db2.gz ZVGMRBHWJDFUHP-SJLPKXTDSA-N 2 0 306.450 2.709 20 0 DFADRP [NH3+]C[C@H]1CCC[C@H]1[NH2+]Cc1ccncc1OCc1ccccc1 ZINC000423114023 296380056 /nfs/dbraw/zinc/38/00/56/296380056.db2.gz ZTGUIKIXIRUKHQ-SJLPKXTDSA-N 2 0 311.429 2.878 20 0 DFADRP OC[C@@H]1CCC[N@@H+]1CCCC[NH2+]C/C=C/c1ccc(F)c(F)c1 ZINC000286504074 219025185 /nfs/dbraw/zinc/02/51/85/219025185.db2.gz MNRLROVXKRZGLZ-WMHVBEDNSA-N 2 0 324.415 2.805 20 0 DFADRP c1ccc(C2CC(C[NH2+][C@@H]3CCOC[C@H]3[C@@H]3CCC[NH2+]3)C2)cc1 ZINC000423115749 296380368 /nfs/dbraw/zinc/38/03/68/296380368.db2.gz OAPHVPDJSCVLDH-GETYWBHSSA-N 2 0 314.473 2.927 20 0 DFADRP COC[C@H](CCC[NH3+])[NH2+][C@@H]1CC[C@H](c2ccccc2)C[C@@H]1OC ZINC000423115007 296380434 /nfs/dbraw/zinc/38/04/34/296380434.db2.gz WUQNQQNRHSXVLY-OKYOBFRVSA-N 2 0 320.477 2.681 20 0 DFADRP c1ccc(C2CC(C[NH2+][C@@H]3CCOC[C@@H]3[C@@H]3CCC[NH2+]3)C2)cc1 ZINC000423115750 296380447 /nfs/dbraw/zinc/38/04/47/296380447.db2.gz OAPHVPDJSCVLDH-LAWMGNCPSA-N 2 0 314.473 2.927 20 0 DFADRP C[N@@H+]1CCC[C@@H](NC(=O)c2cccc(Oc3ccncc3)c2)C1 ZINC000602767084 399562353 /nfs/dbraw/zinc/56/23/53/399562353.db2.gz GKHWYGSGVOSJKP-OAHLLOKOSA-N 2 0 311.385 2.698 20 0 DFADRP Cc1noc(C2CCC([NH2+]C[C@H]3CCCC[N@@H+](C)C3)CC2)n1 ZINC000624124093 399562705 /nfs/dbraw/zinc/56/27/05/399562705.db2.gz XEBVNVKHSUNUSV-QQFBHYJXSA-N 2 0 306.454 2.726 20 0 DFADRP CC[C@H](NC[C@@H](CO)c1ccccc1Cl)[C@H]1CCCC[NH2+]1 ZINC000423119928 296380714 /nfs/dbraw/zinc/38/07/14/296380714.db2.gz FXJQWXYYDQDQRU-RRQGHBQHSA-N 2 0 310.869 2.926 20 0 DFADRP CSC1(C[NH2+][C@@H](C)C[C@@H]2CCCCC[NH2+]2)CC[NH+](C)CC1 ZINC000423119894 296380732 /nfs/dbraw/zinc/38/07/32/296380732.db2.gz FAJCCXVHBPOORR-HOTGVXAUSA-N 2 0 313.555 2.714 20 0 DFADRP CSC1(C[NH2+][C@@H]2C[C@H]([NH3+])c3ccccc32)CC[NH+](C)CC1 ZINC000423118824 296380766 /nfs/dbraw/zinc/38/07/66/296380766.db2.gz AHBZCGHGYULSID-JKSUJKDBSA-N 2 0 305.491 2.548 20 0 DFADRP Cc1cc(CN[C@H]2CCCCC[C@H]2[NH3+])cc(N2CCCC2)n1 ZINC000423120900 296380846 /nfs/dbraw/zinc/38/08/46/296380846.db2.gz HTRNIIUYUCFSQU-SJORKVTESA-N 2 0 302.466 2.740 20 0 DFADRP c1ccc2c(c1)CC1(CCOCC1)[C@H]2[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000423131138 296382235 /nfs/dbraw/zinc/38/22/35/296382235.db2.gz ZHDRYOGVASRLIP-AEFFLSMTSA-N 2 0 300.446 2.812 20 0 DFADRP CC(C)Oc1ccc([C@H](C[NH2+][C@H]2CCC[C@@H]2C[NH3+])N(C)C)cc1 ZINC000423130830 296382264 /nfs/dbraw/zinc/38/22/64/296382264.db2.gz SFNIUBSAVPSKKH-NEWSRXKRSA-N 2 0 319.493 2.794 20 0 DFADRP CC(C)c1nnc(CC[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)s1 ZINC000423128534 296381765 /nfs/dbraw/zinc/38/17/65/296381765.db2.gz KVWNLMCPFYJGOS-BFHYXJOUSA-N 2 0 308.495 2.714 20 0 DFADRP Fc1ccc([C@H]2C[C@H]([NH2+][C@@H]3CCOC[C@@H]3[C@H]3CCC[NH2+]3)C2)cc1 ZINC000423128572 296381978 /nfs/dbraw/zinc/38/19/78/296381978.db2.gz LCFRSDXXZCVPDS-WSIUPNEHSA-N 2 0 318.436 2.818 20 0 DFADRP CCc1ccc([C@H](CNC2CC[NH2+]CC2)[NH+](CC)CC)cc1 ZINC000423136233 296383049 /nfs/dbraw/zinc/38/30/49/296383049.db2.gz UYJBDNLICMHKJH-IBGZPJMESA-N 2 0 303.494 2.974 20 0 DFADRP Cn1nc2c(c1C[NH2+][C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1)CCCC2 ZINC000423135676 296383054 /nfs/dbraw/zinc/38/30/54/296383054.db2.gz GBYKOERPDIYPSL-USXIJHARSA-N 2 0 316.493 2.699 20 0 DFADRP C[C@H]([NH3+])C[C@H](C)[NH2+]CCc1cnc(SC2CCCC2)nc1 ZINC000423137282 296383069 /nfs/dbraw/zinc/38/30/69/296383069.db2.gz QNIXLYXPJKHOOB-STQMWFEESA-N 2 0 308.495 2.769 20 0 DFADRP CCc1ccc([C@@H](CNC2CC[NH2+]CC2)[NH+](CC)CC)cc1 ZINC000423136234 296383200 /nfs/dbraw/zinc/38/32/00/296383200.db2.gz UYJBDNLICMHKJH-LJQANCHMSA-N 2 0 303.494 2.974 20 0 DFADRP CSc1ccc([C@H](C[NH2+][C@H]2CCC[NH2+]CC2)N(C)C)cc1 ZINC000423143153 296384095 /nfs/dbraw/zinc/38/40/95/296384095.db2.gz CLZRXAPKQXKWGO-RDJZCZTQSA-N 2 0 307.507 2.743 20 0 DFADRP CSc1ccc([C@H](C[NH2+][C@H]2CC[NH2+]CC[C@@H]2C)N(C)C)cc1 ZINC000423142924 296384241 /nfs/dbraw/zinc/38/42/41/296384241.db2.gz BQMWPMPDLUZPKV-WBAXXEDZSA-N 2 0 321.534 2.989 20 0 DFADRP Cn1nc2c(c1CN[C@H]1CC[NH2+][C@@H](c3ccccc3)C1)CCCC2 ZINC000423139054 296383558 /nfs/dbraw/zinc/38/35/58/296383558.db2.gz KCAGIDOMTURXOD-QFBILLFUSA-N 2 0 324.472 2.882 20 0 DFADRP C[C@H]([NH3+])[C@H]1COCC[C@H]1[NH2+][C@H]1C[C@H](c2ccccc2Cl)C1 ZINC000423145843 296384635 /nfs/dbraw/zinc/38/46/35/296384635.db2.gz MUULHQCFUXSQBI-QMHOLRBPSA-N 2 0 308.853 2.928 20 0 DFADRP FC1(F)CCCC[C@@H]1C[NH2+][C@@H]1CCOC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000423147829 296385143 /nfs/dbraw/zinc/38/51/43/296385143.db2.gz SWACNIJVSGHFQN-KBUPBQIOSA-N 2 0 302.409 2.559 20 0 DFADRP [NH3+]C[C@H]1CCC[C@H]1[NH2+]Cc1c(Cl)cccc1-n1ccnc1 ZINC000423148695 296385148 /nfs/dbraw/zinc/38/51/48/296385148.db2.gz WIAIIWIVGHTOJI-IUODEOHRSA-N 2 0 304.825 2.743 20 0 DFADRP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1[NH2+]C[C@@H]1CCC[C@H]1c1ccccc1 ZINC000423156836 296386177 /nfs/dbraw/zinc/38/61/77/296386177.db2.gz LSTXGLIAZWLYTP-GBBGEASQSA-N 2 0 302.462 2.912 20 0 DFADRP CO[C@@H](C[NH2+][C@H](C)c1ccc(C[NH3+])nc1C)Cc1ccccc1 ZINC000423157025 296386192 /nfs/dbraw/zinc/38/61/92/296386192.db2.gz MEZOUAHLFJKKDC-RDTXWAMCSA-N 2 0 313.445 2.757 20 0 DFADRP CC(C)(C)[N@@H+]1CC[C@H]1CNC(=O)[C@H]1CCCC[NH+]1C1CCCC1 ZINC000617009083 399569329 /nfs/dbraw/zinc/56/93/29/399569329.db2.gz RXLIVBNIKCZMFY-DLBZAZTESA-N 2 0 321.509 2.773 20 0 DFADRP CC(C)(C[C@@H]1CCC[N@@H+]([C@@H]2C[C@@H](N)c3ccccc32)C1)C(N)=O ZINC000423163494 296386885 /nfs/dbraw/zinc/38/68/85/296386885.db2.gz VPIMZZWNMUHKDI-IAOVAPTHSA-N 2 0 315.461 2.745 20 0 DFADRP C[NH+](C)[C@@H](CC(=O)NC[C@H]1CC[N@@H+]1C(C)(C)C)c1ccccc1 ZINC000617009390 399570415 /nfs/dbraw/zinc/57/04/15/399570415.db2.gz XZWHIZVMYLAITB-SJORKVTESA-N 2 0 317.477 2.668 20 0 DFADRP CC(C)(C[C@@H]1CCC[N@@H+]([C@@H]2C[C@H](N)c3ccccc32)C1)C(N)=O ZINC000423163496 296387003 /nfs/dbraw/zinc/38/70/03/296387003.db2.gz VPIMZZWNMUHKDI-RRQGHBQHSA-N 2 0 315.461 2.745 20 0 DFADRP [NH3+]CC1CCC([NH2+]Cc2c(F)cccc2-n2cccn2)CC1 ZINC000423166298 296387353 /nfs/dbraw/zinc/38/73/53/296387353.db2.gz VHQNWXDXSSXQMO-UHFFFAOYSA-N 2 0 302.397 2.619 20 0 DFADRP COC1CCC([NH2+][C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)CC1 ZINC000423165582 296387159 /nfs/dbraw/zinc/38/71/59/296387159.db2.gz BDPOIFCROHRHSY-XVDPQKCLSA-N 2 0 316.445 2.790 20 0 DFADRP CCOC(=O)C1([C@@H](C)[NH2+]CC2(C3CCC3)CCC2)CC[NH2+]CC1 ZINC000423170924 296387758 /nfs/dbraw/zinc/38/77/58/296387758.db2.gz YZNSMEYQLGZZDU-OAHLLOKOSA-N 2 0 322.493 2.868 20 0 DFADRP CCC(=O)CCC[NH+]1CCC(C[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000347753708 285160087 /nfs/dbraw/zinc/16/00/87/285160087.db2.gz USPRBYCRSKFINJ-HZPDHXFCSA-N 2 0 310.482 2.567 20 0 DFADRP CC(C)[C@@H]([NH2+]CCCN1CC[NH2+]CC1)c1ccc(F)c(F)c1 ZINC000423175425 296388047 /nfs/dbraw/zinc/38/80/47/296388047.db2.gz AIBNCGRNOCPVMF-QGZVFWFLSA-N 2 0 311.420 2.547 20 0 DFADRP Cc1nc(C(C)C)sc1[C@H](C)[NH2+]CCCN1CC[NH2+]CC1 ZINC000423180395 296389041 /nfs/dbraw/zinc/38/90/41/296389041.db2.gz NLPAYCZYTZGKGD-ZDUSSCGKSA-N 2 0 310.511 2.521 20 0 DFADRP CC[C@@H]([NH2+]CCCN1CC[NH2+]CC1)c1ccc(Cl)s1 ZINC000423175137 296388325 /nfs/dbraw/zinc/38/83/25/296388325.db2.gz DDUOXDHXIWDYTR-GFCCVEGCSA-N 2 0 301.887 2.738 20 0 DFADRP C[C@@H]([NH2+]CCCN1CC[NH2+]CC1)c1ccc(C(C)(C)C)cc1 ZINC000423180448 296388808 /nfs/dbraw/zinc/38/88/08/296388808.db2.gz NSXZHKOHDXUHQL-MRXNPFEDSA-N 2 0 303.494 2.930 20 0 DFADRP CC(C)[C@@H]([NH2+]CCCN1CC[NH2+]CC1)c1ccc(Cl)cc1 ZINC000423185900 296389802 /nfs/dbraw/zinc/38/98/02/296389802.db2.gz NUWLSADHHLYTJC-QGZVFWFLSA-N 2 0 309.885 2.922 20 0 DFADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]C[C@](C)(O)c1ccccc1Cl ZINC000157559085 197197533 /nfs/dbraw/zinc/19/75/33/197197533.db2.gz LRWJQFVKDUXVDY-OMNBBPDLSA-N 2 0 310.869 2.866 20 0 DFADRP CCOC(=O)[C@@H]1CC[C@H]([NH2+]C2CC[NH2+]CC2)c2ccccc21 ZINC000423191061 296390448 /nfs/dbraw/zinc/39/04/48/296390448.db2.gz UCUUPSGZWQZQDR-SJORKVTESA-N 2 0 302.418 2.510 20 0 DFADRP [NH3+]CCC[NH2+][C@H]1CCSc2ccc(Br)cc21 ZINC000423188936 296390101 /nfs/dbraw/zinc/39/01/01/296390101.db2.gz ZVQKHAOUHUGHAL-NSHDSACASA-N 2 0 301.253 2.924 20 0 DFADRP Brc1ccc2c(c1)CC[C@@H]([NH2+]C1CC[NH2+]CC1)C2 ZINC000423187779 296390134 /nfs/dbraw/zinc/39/01/34/296390134.db2.gz PNCARKKTAVAAMU-OAHLLOKOSA-N 2 0 309.251 2.648 20 0 DFADRP C[NH2+]CCC[NH2+][C@H](C)c1ccc(OC)c(Br)c1 ZINC000423209318 296392438 /nfs/dbraw/zinc/39/24/38/296392438.db2.gz ZWRUKIXPDRKFOB-SNVBAGLBSA-N 2 0 301.228 2.718 20 0 DFADRP C[C@@H]([NH2+]C1CCC([NH3+])CC1)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000423208195 296392522 /nfs/dbraw/zinc/39/25/22/296392522.db2.gz DHHTYZYWPLXNBE-LMWSTFAQSA-N 2 0 301.434 2.837 20 0 DFADRP Clc1cccc([C@@H]2CCC[C@H]([NH2+]CCN3CC[NH2+]CC3)C2)c1 ZINC000423201736 296391960 /nfs/dbraw/zinc/39/19/60/296391960.db2.gz JGAMZPOQSVJHQM-AEFFLSMTSA-N 2 0 321.896 2.861 20 0 DFADRP C[C@H]([NH2+]CCN1CC[NH2+]CC1)c1ccc(Cl)c(Cl)c1 ZINC000423200130 296391996 /nfs/dbraw/zinc/39/19/96/296391996.db2.gz DKFDTPPVVPPLMT-NSHDSACASA-N 2 0 302.249 2.549 20 0 DFADRP COC(=O)CCC[C@@H]1CCC[C@H]([NH2+][C@H](C)[C@@H]2CCC[NH2+]C2)C1 ZINC000423221932 296394039 /nfs/dbraw/zinc/39/40/39/296394039.db2.gz YSMGAVQBFZHXDG-TWMKSMIVSA-N 2 0 310.482 2.866 20 0 DFADRP c1ccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@H](NC[C@H]2CCC[NH2+]C2)C3)cc1 ZINC000423214722 296393200 /nfs/dbraw/zinc/39/32/00/296393200.db2.gz PJOHVOZFSZCNCO-LWYYNNOASA-N 2 0 313.489 2.771 20 0 DFADRP CCOC(=O)[C@@H]1CC[C@@H]([NH2+]C[C@H]2CCC[NH2+]C2)c2ccccc21 ZINC000423216965 296393471 /nfs/dbraw/zinc/39/34/71/296393471.db2.gz STGHYHAUNOLJAD-BMGDILEWSA-N 2 0 316.445 2.757 20 0 DFADRP Fc1ccc(N2CCC([NH2+]C[C@@H]3CCC[NH2+]C3)CC2)c(F)c1 ZINC000423216053 296393486 /nfs/dbraw/zinc/39/34/86/296393486.db2.gz RHVMIDHBIYKGCQ-CYBMUJFWSA-N 2 0 309.404 2.523 20 0 DFADRP C[C@H]([NH3+])CC[NH2+][C@H]1CCCOc2c(Br)cccc21 ZINC000423224112 296394379 /nfs/dbraw/zinc/39/43/79/296394379.db2.gz IGGJSROPAWRDLB-GWCFXTLKSA-N 2 0 313.239 2.990 20 0 DFADRP COc1ccc([C@H](C)[NH2+]CC[C@H](C)[NH3+])cc1Br ZINC000423222728 296394421 /nfs/dbraw/zinc/39/44/21/296394421.db2.gz CHBRVBNSKBGEKO-UWVGGRQHSA-N 2 0 301.228 2.846 20 0 DFADRP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1NC[C@@H]([NH3+])c1ccccc1 ZINC000423236014 296395575 /nfs/dbraw/zinc/39/55/75/296395575.db2.gz HBXXSYCYJBIQFX-NSISKUIASA-N 2 0 324.472 2.582 20 0 DFADRP COc1ccc(C[C@H](C)[NH2+]CC[C@@H]2CC[NH2+]C2)c(C)c1OC ZINC000423238437 296395942 /nfs/dbraw/zinc/39/59/42/296395942.db2.gz AIBIENNHRJDTOM-ZFWWWQNUSA-N 2 0 306.450 2.532 20 0 DFADRP CC(C)c1ccc([C@H]([NH3+])CN[C@H]2C[N@@H+](C3CC3)C[C@H]2C)cc1 ZINC000423238769 296396000 /nfs/dbraw/zinc/39/60/00/296396000.db2.gz JHKCIGJVCFAMEY-ZMYBRWDISA-N 2 0 301.478 2.882 20 0 DFADRP COC[C@@H]([NH2+]CC[C@@H]1CC[NH2+]C1)c1cccc(C(F)(F)F)c1 ZINC000423242667 296396174 /nfs/dbraw/zinc/39/61/74/296396174.db2.gz FNECHHLXOQAFFP-SWLSCSKDSA-N 2 0 316.367 2.982 20 0 DFADRP COc1cc(C)c(C[C@H](C)[NH2+]CC[C@H]2CC[NH2+]C2)cc1OC ZINC000423242058 296396423 /nfs/dbraw/zinc/39/64/23/296396423.db2.gz DXDXBSXMOQABOY-LSDHHAIUSA-N 2 0 306.450 2.532 20 0 DFADRP CC1(C)[C@H]([NH2+]CC[C@@H]2CC[NH2+]C2)C[C@H]1OCc1ccccc1 ZINC000423254623 296397099 /nfs/dbraw/zinc/39/70/99/296397099.db2.gz YUXUMWVAMQEFNB-CGTJXYLNSA-N 2 0 302.462 2.960 20 0 DFADRP Cn1ccc([C@H]([NH2+]CC[C@H]2CC[NH2+]C2)c2ccc(Cl)cc2)n1 ZINC000423254039 296397178 /nfs/dbraw/zinc/39/71/78/296397178.db2.gz WVWLLBVAYAUDTC-CXAGYDPISA-N 2 0 318.852 2.752 20 0 DFADRP COc1cc(F)c([C@@H](C)[NH2+]CC[C@@H]2CCC[NH2+]C2)cc1OC ZINC000423258936 296397742 /nfs/dbraw/zinc/39/77/42/296397742.db2.gz NDSZCCIJRNXTGN-OLZOCXBDSA-N 2 0 310.413 2.883 20 0 DFADRP C[C@H](Cc1ccc(C(F)(F)F)cc1)[NH2+]CCOCCC[NH3+] ZINC000629400403 399593387 /nfs/dbraw/zinc/59/33/87/399593387.db2.gz WHOOOKOJVPKTSU-GFCCVEGCSA-N 2 0 304.356 2.591 20 0 DFADRP C[NH2+]C[C@@H](C)C[NH2+][C@H](C)Cc1ccc(F)cc1Br ZINC000423270709 296399272 /nfs/dbraw/zinc/39/92/72/296399272.db2.gz IDKDIQMYZSDRKP-GHMZBOCLSA-N 2 0 317.246 2.964 20 0 DFADRP [NH3+]CCCOCC[NH2+]Cc1ccc(Cl)cc1Br ZINC000629401574 399593805 /nfs/dbraw/zinc/59/38/05/399593805.db2.gz SJVXJUQQIDERLP-UHFFFAOYSA-N 2 0 321.646 2.558 20 0 DFADRP Cc1nn(C)c2sc([C@H](C)[NH2+]CC[C@@H]3CCC[NH2+]C3)cc12 ZINC000423267485 296398571 /nfs/dbraw/zinc/39/85/71/296398571.db2.gz FFSWUBQBQGAQBW-STQMWFEESA-N 2 0 306.479 2.984 20 0 DFADRP C[C@H](Cc1ccccc1)[NH+]1CCC(N[C@H]2CCC[C@H]2C[NH3+])CC1 ZINC000423266889 296398642 /nfs/dbraw/zinc/39/86/42/296398642.db2.gz DWOTVROQHUMRDZ-KPFFTGBYSA-N 2 0 315.505 2.799 20 0 DFADRP C[NH+]1CCC(O)(C[NH2+]CC(c2ccccc2)c2ccccc2)CC1 ZINC000271474005 208940832 /nfs/dbraw/zinc/94/08/32/208940832.db2.gz HKBRYOXAPTZEIP-UHFFFAOYSA-N 2 0 324.468 2.865 20 0 DFADRP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]C1CCN(c2ccc(F)cc2F)CC1 ZINC000423279176 296400265 /nfs/dbraw/zinc/40/02/65/296400265.db2.gz RPKURSGBFKOQIN-LRDDRELGSA-N 2 0 309.404 2.651 20 0 DFADRP C[C@@H]([NH3+])c1ccc(C(=O)NC[C@@H](c2ccsc2)[NH+](C)C)cc1 ZINC000423321580 296404090 /nfs/dbraw/zinc/40/40/90/296404090.db2.gz GMPJUVUHHHABDA-WBMJQRKESA-N 2 0 317.458 2.801 20 0 DFADRP COCC[C@@H](C)[NH2+]CCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000156087698 197085635 /nfs/dbraw/zinc/08/56/35/197085635.db2.gz OIRZOMYVKDNWOD-GOSISDBHSA-N 2 0 319.493 2.603 20 0 DFADRP C[C@@]1(C[NH2+]C2CCN(c3ccc(F)cc3F)CC2)CCC[NH2+]C1 ZINC000423326922 296404856 /nfs/dbraw/zinc/40/48/56/296404856.db2.gz KTRYNYJESCLOEV-GOSISDBHSA-N 2 0 323.431 2.913 20 0 DFADRP CCO[C@@H]1C[C@H]([NH2+]C[C@]2(C)CCC[NH2+]C2)[C@@H]1Oc1ccccc1 ZINC000423337513 296406131 /nfs/dbraw/zinc/40/61/31/296406131.db2.gz KFMHSIIBKMFSNI-ZSYWTGECSA-N 2 0 318.461 2.591 20 0 DFADRP C[C@H](CNC(=O)c1ccc([C@H](C)[NH3+])cc1)C[NH+]1CCCCC1 ZINC000423339028 296406147 /nfs/dbraw/zinc/40/61/47/296406147.db2.gz BJZCEBMADYKJRJ-CABCVRRESA-N 2 0 303.450 2.558 20 0 DFADRP O[C@H]1C[C@@H](C[NH2+][C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)C1 ZINC000624217625 399601506 /nfs/dbraw/zinc/60/15/06/399601506.db2.gz ASCNVVWGXRSWEU-SWBPCFCJSA-N 2 0 314.473 2.648 20 0 DFADRP CCC[NH+]1CCC(N(C)C(=O)c2ccc([C@H](C)[NH3+])cc2)CC1 ZINC000423334211 296405658 /nfs/dbraw/zinc/40/56/58/296405658.db2.gz FRJSMYFDVUJHOP-AWEZNQCLSA-N 2 0 303.450 2.653 20 0 DFADRP Cc1nc(-c2cccnc2)sc1[C@@H](C)[NH2+]C[C@@H]1CC[NH2+]C1 ZINC000423334354 296405727 /nfs/dbraw/zinc/40/57/27/296405727.db2.gz IGARKUCBTSGOCD-DGCLKSJQSA-N 2 0 302.447 2.774 20 0 DFADRP COc1ccc([C@H](C)[C@H](C)[NH2+]CC2=CC[NH2+]CC2)cc1OC ZINC000423352340 296407626 /nfs/dbraw/zinc/40/76/26/296407626.db2.gz KGNOUHVNLNOXCW-KGLIPLIRSA-N 2 0 304.434 2.705 20 0 DFADRP CC(C)[C@@H](C(=O)Nc1ccc(CC[NH+]2CCCC2)cc1)[C@H](C)[NH3+] ZINC000423352374 296407709 /nfs/dbraw/zinc/40/77/09/296407709.db2.gz KIWRKIAEMYCHFX-MAUKXSAKSA-N 2 0 317.477 2.883 20 0 DFADRP CCN1CCC[C@H]([NH2+][C@@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000347882886 285223461 /nfs/dbraw/zinc/22/34/61/285223461.db2.gz VGPMJNZYIZOSMM-SXLOBPIMSA-N 2 0 315.505 2.971 20 0 DFADRP FC(F)(F)c1cnc2c(c1)[C@@H]([NH2+]CC1=CC[NH2+]CC1)CCC2 ZINC000423347145 296406943 /nfs/dbraw/zinc/40/69/43/296406943.db2.gz QDZXQNBOISRDMK-AWEZNQCLSA-N 2 0 311.351 2.987 20 0 DFADRP COc1ccc(CCC[NH2+][C@@H]2C[C@@H](C)[N@H+](C)C[C@H]2C)cc1OC ZINC000155201565 197031860 /nfs/dbraw/zinc/03/18/60/197031860.db2.gz SQUOATIARKSAQX-BFYDXBDKSA-N 2 0 320.477 2.955 20 0 DFADRP C[C@H](Cc1ccccc1)[NH+]1CCC(N[C@H]2C[NH2+]CC[C@H]2C)CC1 ZINC000423375171 296410321 /nfs/dbraw/zinc/41/03/21/296410321.db2.gz XORHHDDMBHWCIN-HLIPFELVSA-N 2 0 315.505 2.670 20 0 DFADRP CCC[C@H](C)[C@@H](CC)[NH2+]C[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000423376468 296410344 /nfs/dbraw/zinc/41/03/44/296410344.db2.gz DRQIMHSSXXKPFB-BFHYXJOUSA-N 2 0 309.420 2.627 20 0 DFADRP COC(=O)CN1CCC2(CC1)CC[NH+](Cc1ccccc1)CC2 ZINC000602860699 399605848 /nfs/dbraw/zinc/60/58/48/399605848.db2.gz DMLQIHVRVQXYRY-UHFFFAOYSA-N 2 0 316.445 2.538 20 0 DFADRP CCC[C@@H]([NH2+]C[C@H](N1CC[NH2+]CC1)C(F)(F)F)C(C)(C)C ZINC000423387241 296411255 /nfs/dbraw/zinc/41/12/55/296411255.db2.gz JWTSQNHCWHBMJO-OLZOCXBDSA-N 2 0 309.420 2.627 20 0 DFADRP CCCC[NH+]1CCC(NC(=O)c2ccc([C@H](C)[NH3+])cc2)CC1 ZINC000423389696 296411799 /nfs/dbraw/zinc/41/17/99/296411799.db2.gz OENPCGRGDGYGDK-AWEZNQCLSA-N 2 0 303.450 2.701 20 0 DFADRP CC(C)[C@H]([NH2+]C[C@H]1C[NH2+]C[C@@H]1O)c1ccc(C(F)(F)F)cc1 ZINC000423395797 296411992 /nfs/dbraw/zinc/41/19/92/296411992.db2.gz AVFPLFKUGVJRJW-SNPRPXQTSA-N 2 0 316.367 2.572 20 0 DFADRP COCC1(C[NH2+][C@H](c2ccc(OC)cc2)C(C)C)CC[NH2+]CC1 ZINC000423397955 296412589 /nfs/dbraw/zinc/41/25/89/296412589.db2.gz CLIAZFZYIXPPCL-SFHVURJKSA-N 2 0 320.477 2.998 20 0 DFADRP COCC1(C[NH2+][C@@H]2CCCOc3cc(C)ccc32)CC[NH2+]CC1 ZINC000423399689 296412635 /nfs/dbraw/zinc/41/26/35/296412635.db2.gz FELAJFXPVIKXAP-QGZVFWFLSA-N 2 0 318.461 2.815 20 0 DFADRP COCC1(C[NH2+][C@H]2CCCOc3cc(C)ccc32)CC[NH2+]CC1 ZINC000423399678 296412774 /nfs/dbraw/zinc/41/27/74/296412774.db2.gz FELAJFXPVIKXAP-KRWDZBQOSA-N 2 0 318.461 2.815 20 0 DFADRP CCCN(CCC[NH+](C)C)C(=O)[C@@H](c1ccccc1)[N@H+](C)CC ZINC000347909883 285238698 /nfs/dbraw/zinc/23/86/98/285238698.db2.gz QRZCDDAVFCICEN-GOSISDBHSA-N 2 0 319.493 2.870 20 0 DFADRP COCC1(C[NH2+][C@@H](Cc2cccc(C)c2)C2CC2)CC[NH2+]CC1 ZINC000423404545 296413210 /nfs/dbraw/zinc/41/32/10/296413210.db2.gz IVXKPEXKSZQAES-IBGZPJMESA-N 2 0 316.489 2.922 20 0 DFADRP COc1ccccc1NC(=O)C[C@H](C)[NH2+][C@@H](C)CCCC[NH3+] ZINC000423429244 296415849 /nfs/dbraw/zinc/41/58/49/296415849.db2.gz KCKUJRFNJVXGBL-KBPBESRZSA-N 2 0 307.438 2.519 20 0 DFADRP C[C@@H]([NH2+]C[C@H]1CC[C@H](C[NH3+])CC1)c1ccc(S(C)(=O)=O)cc1 ZINC000423426944 296415749 /nfs/dbraw/zinc/41/57/49/296415749.db2.gz PXPSHETZWMOZTC-RBSFLKMASA-N 2 0 324.490 2.506 20 0 DFADRP COC(=O)c1ccc(F)c(C[N@@H+]2CCC3(C2)CC[NH+](C)CC3)c1 ZINC000602877379 399612115 /nfs/dbraw/zinc/61/21/15/399612115.db2.gz IBEFHKOJOGQXKQ-UHFFFAOYSA-N 2 0 320.408 2.530 20 0 DFADRP COC(=O)c1ccc(C[N@@H+]2CCC3(C2)CC[NH+](C)CC3)c(F)c1 ZINC000602877695 399612291 /nfs/dbraw/zinc/61/22/91/399612291.db2.gz KHMJVXVZCRMNQC-UHFFFAOYSA-N 2 0 320.408 2.530 20 0 DFADRP COC(=O)c1oc([C@H](C)[N@@H+]2CCC3(C2)CC[NH+](C)CC3)cc1C ZINC000602877033 399612727 /nfs/dbraw/zinc/61/27/27/399612727.db2.gz KHBSHCFTUYKMIY-AWEZNQCLSA-N 2 0 320.433 2.853 20 0 DFADRP C[C@H](CC(=O)N(C)c1ccccc1)[NH2+]C[C@@H]1CCC[C@H]([NH3+])C1 ZINC000423459747 296418269 /nfs/dbraw/zinc/41/82/69/296418269.db2.gz LVDZNIZKRWJEKR-OAGGEKHMSA-N 2 0 303.450 2.535 20 0 DFADRP C[C@@H]([NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21)[C@H](C)Oc1ccc(Cl)cc1Cl ZINC000423457910 296418020 /nfs/dbraw/zinc/41/80/20/296418020.db2.gz PNGQITDANFXYGH-AOLZUGRHSA-N 2 0 315.244 2.957 20 0 DFADRP COc1ccc([C@H]2CCCC[C@H]2[NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)cc1F ZINC000423456677 296418096 /nfs/dbraw/zinc/41/80/96/296418096.db2.gz NXNWVRLVXZAUKN-CNKGYHKASA-N 2 0 304.409 2.668 20 0 DFADRP Cn1ccnc1[C@H]([NH2+]C[C@H]1CCC[C@@H]([NH3+])C1)c1cccc(F)c1 ZINC000423470554 296419093 /nfs/dbraw/zinc/41/90/93/296419093.db2.gz LHJSCLXBHVGAHS-IAOVAPTHSA-N 2 0 316.424 2.756 20 0 DFADRP CC(=O)NCCc1ccc([C@@H](C)[NH2+]CCC[C@H]2CCC[NH2+]2)cc1 ZINC000423483460 296420736 /nfs/dbraw/zinc/42/07/36/296420736.db2.gz QAMWCSIAHZQEKA-BEFAXECRSA-N 2 0 317.477 2.548 20 0 DFADRP C[C@H]([NH2+][C@@H]1CC[C@@H](C[NH3+])C1)c1ncc(Br)cc1F ZINC000423494077 296421956 /nfs/dbraw/zinc/42/19/56/296421956.db2.gz CTGCRQVJNMVZIJ-IQJOONFLSA-N 2 0 316.218 2.761 20 0 DFADRP CCN(CC)C(=O)C[C@@H](C)[NH2+][C@@H](CCC[NH3+])c1ccccc1 ZINC000423496888 296422546 /nfs/dbraw/zinc/42/25/46/296422546.db2.gz FSFVQWPAUDUBHL-WBVHZDCISA-N 2 0 305.466 2.703 20 0 DFADRP CC(C)[C@H]1C[C@H]([NH2+]CC2([NH3+])C3CC4CC(C3)CC2C4)CCO1 ZINC000423524225 296425911 /nfs/dbraw/zinc/42/59/11/296425911.db2.gz JBNPJGMMNICJQE-IUSBLUBVSA-N 2 0 306.494 2.933 20 0 DFADRP COCC[C@@H]1CCC[C@@H]1[NH2+]CC1([NH3+])C2CC3CC(C2)CC1C3 ZINC000423525308 296426416 /nfs/dbraw/zinc/42/64/16/296426416.db2.gz KIWNRZSDYWPGMZ-HWZUTKJVSA-N 2 0 306.494 2.935 20 0 DFADRP Cn1ccc([C@H]([NH2+]CCC2=CC[NH2+]CC2)c2ccc(F)cc2)n1 ZINC000423535023 296427500 /nfs/dbraw/zinc/42/75/00/296427500.db2.gz BOZRCMUABGJYMY-GOSISDBHSA-N 2 0 314.408 2.548 20 0 DFADRP C[C@H]([NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1)c1ccc2c(c1)OCCCO2 ZINC000423538230 296427793 /nfs/dbraw/zinc/42/77/93/296427793.db2.gz FURBYHUESOTLTF-RKTXRCNFSA-N 2 0 316.445 2.887 20 0 DFADRP C[C@H]([NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1)c1ccc2c(c1)OCCCO2 ZINC000423538228 296427794 /nfs/dbraw/zinc/42/77/94/296427794.db2.gz FURBYHUESOTLTF-QMCVQRASSA-N 2 0 316.445 2.887 20 0 DFADRP CCO[C@@H]1C[C@@H]([NH2+]CCC2=CC[NH2+]CC2)[C@@H]1Oc1ccccc1 ZINC000423536913 296427842 /nfs/dbraw/zinc/42/78/42/296427842.db2.gz IOZBVTUJDTYFDG-QRVBRYPASA-N 2 0 316.445 2.511 20 0 DFADRP C[C@H]([NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)c1ccc2c(c1)OCCCO2 ZINC000423538227 296427867 /nfs/dbraw/zinc/42/78/67/296427867.db2.gz FURBYHUESOTLTF-PQEBFOHHSA-N 2 0 316.445 2.887 20 0 DFADRP COCCOc1ccc([C@H](C)[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC000423554501 296429005 /nfs/dbraw/zinc/42/90/05/296429005.db2.gz WPHZRLDFLAOOFZ-XOYOTBSWSA-N 2 0 318.461 2.751 20 0 DFADRP Cc1c([C@H](C)[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)cnn1C(C)(C)C ZINC000423541380 296428194 /nfs/dbraw/zinc/42/81/94/296428194.db2.gz KRWKTYKYUVFMTG-LCGIIJARSA-N 2 0 304.482 2.985 20 0 DFADRP COCCc1nc(C)c([C@H](C)[NH2+]CCC2=CC[NH2+]CC2)s1 ZINC000423540868 296428236 /nfs/dbraw/zinc/42/82/36/296428236.db2.gz QYKVXKZOIIPWQD-LBPRGKRZSA-N 2 0 309.479 2.601 20 0 DFADRP COC[C@H]([NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1)c1ccc(F)c(F)c1 ZINC000423547165 296428824 /nfs/dbraw/zinc/42/88/24/296428824.db2.gz PQYKIAOWDIRPDG-ZJOBFFGXSA-N 2 0 310.388 2.630 20 0 DFADRP COc1ccc(C[C@@H](C)[NH2+]CCC2=CC[NH2+]CC2)c(C)c1OC ZINC000423546947 296428831 /nfs/dbraw/zinc/42/88/31/296428831.db2.gz ZOXJIMUBJMRWQM-CQSZACIVSA-N 2 0 318.461 2.843 20 0 DFADRP COCCOc1ccc([C@H](C)[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000423554496 296428926 /nfs/dbraw/zinc/42/89/26/296428926.db2.gz WPHZRLDFLAOOFZ-DZOHQFGASA-N 2 0 318.461 2.751 20 0 DFADRP Cc1cccc([C@H](C)[NH2+]C[C@@H](C)CN2CC[NH+](C)CC2)c1C ZINC000120839471 195247791 /nfs/dbraw/zinc/24/77/91/195247791.db2.gz XDGZYFYXWPBUDG-QAPCUYQASA-N 2 0 303.494 2.838 20 0 DFADRP C[C@@H](CCc1ccc2c(c1)OCO2)[NH2+]CCC1=CC[NH2+]CC1 ZINC000423573205 296430280 /nfs/dbraw/zinc/43/02/80/296430280.db2.gz ZERWCIFRTQFBJC-AWEZNQCLSA-N 2 0 302.418 2.636 20 0 DFADRP C[C@@H](C[NH2+][C@@H]1CCSc2ccccc21)CN1CC[NH+](C)CC1 ZINC000120858886 195251781 /nfs/dbraw/zinc/25/17/81/195251781.db2.gz MOHCJAAWXQKTOB-DOTOQJQBSA-N 2 0 319.518 2.697 20 0 DFADRP C[C@@H]([NH2+][C@@H](C)c1cn[nH]c1)c1ccc(OCC[NH+](C)C)cc1 ZINC000271563410 209016014 /nfs/dbraw/zinc/01/60/14/209016014.db2.gz URRACCQKELRODR-KGLIPLIRSA-N 2 0 302.422 2.762 20 0 DFADRP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)NCc1ccccc1C[N@H+](C)C(C)C ZINC000289474654 221001968 /nfs/dbraw/zinc/00/19/68/221001968.db2.gz BEQRPMLHLARHRN-ROUUACIJSA-N 2 0 317.477 2.531 20 0 DFADRP CC[NH+](CC)Cc1ccc(C(=O)N[C@@H](C)C2CC[NH+](C)CC2)o1 ZINC000624271433 399624147 /nfs/dbraw/zinc/62/41/47/399624147.db2.gz UDZSXABGSPBSKB-AWEZNQCLSA-N 2 0 321.465 2.582 20 0 DFADRP c1n[nH]cc1CC[NH2+][C@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000289650013 221129535 /nfs/dbraw/zinc/12/95/35/221129535.db2.gz GEDHBVFKXTWFHJ-ZCNNSNEGSA-N 2 0 324.472 2.843 20 0 DFADRP O[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+][C@@H]2CCC[C@H]2CCF)CC1 ZINC000353611728 285309971 /nfs/dbraw/zinc/30/99/71/285309971.db2.gz FAKRDBCUZVVCKR-XOYOTBSWSA-N 2 0 312.473 2.872 20 0 DFADRP C[C@H](CCCO)C[NH2+][C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000294879018 224282169 /nfs/dbraw/zinc/28/21/69/224282169.db2.gz VKFSTEIEUZWLFY-BTHPGYMESA-N 2 0 316.489 2.895 20 0 DFADRP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)NC[C@H](c1ccccc1)[NH+](CC)CC ZINC000289798005 221233266 /nfs/dbraw/zinc/23/32/66/221233266.db2.gz YYXGQAPDGFNPOZ-OKZBNKHCSA-N 2 0 317.477 2.574 20 0 DFADRP C[NH+]1CCN(c2ncccc2C[NH2+][C@@H]2CC[C@@H]2C(C)(C)C)CC1 ZINC000348053814 285319584 /nfs/dbraw/zinc/31/95/84/285319584.db2.gz IQHGRCKHHPHNNU-DLBZAZTESA-N 2 0 316.493 2.748 20 0 DFADRP CCc1ncc(C[NH2+]CCCC[NH+]2C[C@@H](C)O[C@H](C)C2)s1 ZINC000084018244 542505369 /nfs/dbraw/zinc/50/53/69/542505369.db2.gz BKWSZZXUKKCNQB-ZIAGYGMSSA-N 2 0 311.495 2.685 20 0 DFADRP CO[C@H]1C[C@@H](C[NH2+][C@H](C)c2ccc(OCC[NH+](C)C)cc2)C1 ZINC000624309793 399635302 /nfs/dbraw/zinc/63/53/02/399635302.db2.gz XXLXKVCHNFUEKO-RKVPGOIHSA-N 2 0 306.450 2.703 20 0 DFADRP CC[C@@H]([NH2+]CCOCC[NH2+]C)c1cc(Cl)ccc1OC ZINC000629528994 399636144 /nfs/dbraw/zinc/63/61/44/399636144.db2.gz ORLBNBIPXDRDLW-CQSZACIVSA-N 2 0 300.830 2.625 20 0 DFADRP Cc1cn[nH]c1C[NH2+]CC1CC[NH+](Cc2cccs2)CC1 ZINC000289908099 221308849 /nfs/dbraw/zinc/30/88/49/221308849.db2.gz NVLABTZTYXDOMF-UHFFFAOYSA-N 2 0 304.463 2.781 20 0 DFADRP C[NH2+]CCOCC[NH2+][C@@H](C)c1ccc2cc(OC)ccc2c1 ZINC000629528491 399636323 /nfs/dbraw/zinc/63/63/23/399636323.db2.gz ALOWUVHXYNOTFO-AWEZNQCLSA-N 2 0 302.418 2.735 20 0 DFADRP C[NH2+]CCOCC[NH2+][C@H](C)c1ccc2cc(OC)ccc2c1 ZINC000629528492 399636735 /nfs/dbraw/zinc/63/67/35/399636735.db2.gz ALOWUVHXYNOTFO-CQSZACIVSA-N 2 0 302.418 2.735 20 0 DFADRP CC[C@@H]1[NH2+]CC[C@H]1N[C@@H]1CCC[N@H+](Cc2ccccc2)[C@@H]1C ZINC000629528318 399636785 /nfs/dbraw/zinc/63/67/85/399636785.db2.gz WFWYWSZDAJYFRV-QXCFHYIPSA-N 2 0 301.478 2.770 20 0 DFADRP CC[C@@H]1[NH2+]CC[C@H]1N[C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000629526007 399636889 /nfs/dbraw/zinc/63/68/89/399636889.db2.gz IPKVTNVEGYHWRE-DSLXNQLJSA-N 2 0 301.478 2.627 20 0 DFADRP C[NH2+]CCOCC[NH2+][C@H](c1ccccc1OC)C1CCCC1 ZINC000629529861 399637989 /nfs/dbraw/zinc/63/79/89/399637989.db2.gz ORXVMIFLJWJMHW-SFHVURJKSA-N 2 0 306.450 2.752 20 0 DFADRP C[NH2+]CCOCC[NH2+][C@@H](C)c1cc(C)c(Br)s1 ZINC000629530870 399638089 /nfs/dbraw/zinc/63/80/89/399638089.db2.gz TXVQQSYPJRDRKS-JTQLQIEISA-N 2 0 321.284 2.706 20 0 DFADRP Nc1ncccc1C[NH+]1CCC(CCC[NH+]2CCCC2)CC1 ZINC000294948689 224331650 /nfs/dbraw/zinc/33/16/50/224331650.db2.gz LXHQLSIDELDXGW-UHFFFAOYSA-N 2 0 302.466 2.752 20 0 DFADRP CC[C@@H]([NH2+]CCOCCC[NH3+])c1cc(Cl)ccc1OC ZINC000629534527 399638889 /nfs/dbraw/zinc/63/88/89/399638889.db2.gz AMTCVZCBSCJREM-CQSZACIVSA-N 2 0 300.830 2.755 20 0 DFADRP C[C@H]([NH2+]CCOCCC[NH3+])c1ccc(Oc2ccccc2)cn1 ZINC000629541301 399641870 /nfs/dbraw/zinc/64/18/70/399641870.db2.gz YHQGRADXFVGLNG-HNNXBMFYSA-N 2 0 315.417 2.890 20 0 DFADRP [NH3+]CCCOCC[NH2+][C@H]1CCSc2c(Cl)cccc21 ZINC000629541988 399641875 /nfs/dbraw/zinc/64/18/75/399641875.db2.gz VVIQMHYKCINGDP-ZDUSSCGKSA-N 2 0 300.855 2.832 20 0 DFADRP COc1ccc(C)cc1CN1CC[C@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000629567660 399652680 /nfs/dbraw/zinc/65/26/80/399652680.db2.gz PRTPUSATKXQICA-KGLIPLIRSA-N 2 0 316.367 2.963 20 0 DFADRP Cc1ccc(C2(C[NH2+]C[C@H](O)C[NH+]3CCCC3)CCC2)cc1C ZINC000629578923 399653955 /nfs/dbraw/zinc/65/39/55/399653955.db2.gz HKPBXSZXDTVOIN-IBGZPJMESA-N 2 0 316.489 2.771 20 0 DFADRP CC(C)Sc1ccc([C@H](C)[NH2+]CCN2CC[C@H](O)C2)cc1 ZINC000624335559 399643305 /nfs/dbraw/zinc/64/33/05/399643305.db2.gz VDOLDSZFJWZKIJ-HOCLYGCPSA-N 2 0 308.491 2.904 20 0 DFADRP [NH3+]CCC[NH+]1CCC(Cc2nc(C3CCCCC3)no2)CC1 ZINC000629551850 399645318 /nfs/dbraw/zinc/64/53/18/399645318.db2.gz XUYLFIVNGVNWFL-UHFFFAOYSA-N 2 0 306.454 2.721 20 0 DFADRP CCC[C@@H]([NH2+]Cc1cn([C@@H]2CC[NH2+]C2)nn1)C1CCCCC1 ZINC000629553672 399646364 /nfs/dbraw/zinc/64/63/64/399646364.db2.gz WUZCYTCFYABFBO-IAGOWNOFSA-N 2 0 305.470 2.651 20 0 DFADRP CCC[C@@H]([NH2+]Cc1cn([C@H]2CC[NH2+]C2)nn1)C1CCCCC1 ZINC000629553671 399646475 /nfs/dbraw/zinc/64/64/75/399646475.db2.gz WUZCYTCFYABFBO-DLBZAZTESA-N 2 0 305.470 2.651 20 0 DFADRP O[C@H](C[NH2+]CC1(c2ccc(Cl)cc2)CCC1)C[NH+]1CCCC1 ZINC000629558591 399647861 /nfs/dbraw/zinc/64/78/61/399647861.db2.gz DBAVDSNRCINGFG-QGZVFWFLSA-N 2 0 322.880 2.808 20 0 DFADRP Cc1noc([C@H](C)N2CC[C@H](CNc3cc(C)cc[nH+]3)C2)n1 ZINC000624484642 399685877 /nfs/dbraw/zinc/68/58/77/399685877.db2.gz GSXWOTGDCKUJLI-GXTWGEPZSA-N 2 0 301.394 2.576 20 0 DFADRP C[NH+](C)CCc1ccc(-c2ccc(CN3CC[NH2+]CC3)cc2)cc1 ZINC000629730907 399705612 /nfs/dbraw/zinc/70/56/12/399705612.db2.gz AISZUBLLICZVIU-UHFFFAOYSA-N 2 0 323.484 2.863 20 0 DFADRP C[NH2+]Cc1cccc(-c2ccccc2C[NH+]2CCN(C)CC2)c1 ZINC000629735145 399708198 /nfs/dbraw/zinc/70/81/98/399708198.db2.gz JZQYLARQZPOZPJ-UHFFFAOYSA-N 2 0 309.457 2.820 20 0 DFADRP CC[NH+]1CCC(NC(=O)C[N@H+](C)C[C@@H](C)C2CCCCC2)CC1 ZINC000625986858 399709812 /nfs/dbraw/zinc/70/98/12/399709812.db2.gz WHTWIPRNESPEIH-MRXNPFEDSA-N 2 0 323.525 2.735 20 0 DFADRP C[C@@H]([NH2+][C@@H](C)c1cn(-c2ccccc2)nn1)C1CC[NH+](C)CC1 ZINC000090450316 542536871 /nfs/dbraw/zinc/53/68/71/542536871.db2.gz YQNXKBLJGIKCOV-CABCVRRESA-N 2 0 313.449 2.648 20 0 DFADRP C[C@@H]1CC[C@@H](C)[NH+]1[C@@H]1CCCN(C(=O)c2ccc(C[NH3+])cc2)C1 ZINC000423722923 296441786 /nfs/dbraw/zinc/44/17/86/296441786.db2.gz DXACQLLVYOHTDI-IIDMSEBBSA-N 2 0 315.461 2.623 20 0 DFADRP C[C@H]1C[NH+](CCCC[NH2+]Cc2nc3c(s2)CCC3)C[C@H](C)O1 ZINC000093066167 542551365 /nfs/dbraw/zinc/55/13/65/542551365.db2.gz COGANLHVGMXQTM-KBPBESRZSA-N 2 0 323.506 2.611 20 0 DFADRP C[NH+]1CCN(c2ccc(C[NH2+][C@H]3CC[C@@H]3C(C)(C)C)cn2)CC1 ZINC000348092012 285341546 /nfs/dbraw/zinc/34/15/46/285341546.db2.gz ZUZVHNAOJGVSLQ-IRXDYDNUSA-N 2 0 316.493 2.748 20 0 DFADRP CC[C@@H]1CC[C@@H]1[NH2+]CCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000348099692 285348188 /nfs/dbraw/zinc/34/81/88/285348188.db2.gz DUKNUILQQOZKER-UXHICEINSA-N 2 0 315.505 2.973 20 0 DFADRP C[NH+](C)Cc1ccc(C[NH2+][C@H]2CCO[C@@H](C(F)(F)F)C2)cc1 ZINC000348100226 285348934 /nfs/dbraw/zinc/34/89/34/285348934.db2.gz FNTPZHOPAUIKFJ-LSDHHAIUSA-N 2 0 316.367 2.948 20 0 DFADRP C[C@H]([NH2+]CCC[NH+]1CCCCC1)c1cccc(-n2ccnn2)c1 ZINC000348102435 285350247 /nfs/dbraw/zinc/35/02/47/285350247.db2.gz KOKAOCUJVCDEQK-INIZCTEOSA-N 2 0 313.449 2.794 20 0 DFADRP CC[C@H]([NH3+])C(=O)N(CC[NH+]1CCCC1)Cc1ccc(Cl)cc1 ZINC000423764093 296444849 /nfs/dbraw/zinc/44/48/49/296444849.db2.gz VORBAYFMNADICS-INIZCTEOSA-N 2 0 323.868 2.502 20 0 DFADRP C[NH+](C)C[C@@H](NC(=O)CC[C@H]1CCC[NH2+]1)c1ccc(Cl)cc1 ZINC000423768789 296445444 /nfs/dbraw/zinc/44/54/44/296445444.db2.gz FRNULFFAIMRSIO-HZPDHXFCSA-N 2 0 323.868 2.591 20 0 DFADRP CC[N@@H+]1CCC[C@@H]1CNC1CC[NH+](CCc2ccccc2)CC1 ZINC000121715028 195333991 /nfs/dbraw/zinc/33/39/91/195333991.db2.gz ZMUGGMRSTMQLGN-HXUWFJFHSA-N 2 0 315.505 2.767 20 0 DFADRP CC1CC[NH+](CC(=O)NC2CC[NH+](C3CCCCC3)CC2)CC1 ZINC000121914173 195372740 /nfs/dbraw/zinc/37/27/40/195372740.db2.gz PBHDVMJULPJARI-UHFFFAOYSA-N 2 0 321.509 2.632 20 0 DFADRP C[C@@H](C(=O)NCc1ccccc1C[NH+](C)C)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000121985125 195385526 /nfs/dbraw/zinc/38/55/26/195385526.db2.gz GQOQFAROCPIVAU-XHSDSOJGSA-N 2 0 317.477 2.626 20 0 DFADRP O[C@H]1c2ccccc2C[C@H]1[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000182792191 285373360 /nfs/dbraw/zinc/37/33/60/285373360.db2.gz NLFRKBZUGZCLMC-UHOSZYNNSA-N 2 0 300.446 2.595 20 0 DFADRP CC(C)[C@H](C(=O)N1CCC(CCC[NH+]2CCCC2)CC1)[C@H](C)[NH3+] ZINC000423792583 296448752 /nfs/dbraw/zinc/44/87/52/296448752.db2.gz HZWUSPVQIMRNGA-WMZOPIPTSA-N 2 0 323.525 2.720 20 0 DFADRP CCC(C)(C)NC(=O)[C@H](C)[NH+]1CCC(CCC[NH+](C)C)CC1 ZINC000123478807 195586270 /nfs/dbraw/zinc/58/62/70/195586270.db2.gz GADVIPKRWWPECU-HNNXBMFYSA-N 2 0 311.514 2.734 20 0 DFADRP C[C@H]([NH2+]CCC1CC[NH+](C)CC1)c1ccc(-n2cncn2)cc1 ZINC000125479636 195754529 /nfs/dbraw/zinc/75/45/29/195754529.db2.gz QVBXYTWKRDEHJK-HNNXBMFYSA-N 2 0 313.449 2.650 20 0 DFADRP CC[C@@H](C)NC(=O)[C@H](C)[N@H+](CC)Cc1ccc(C[NH+](C)C)cc1 ZINC000626062349 399741557 /nfs/dbraw/zinc/74/15/57/399741557.db2.gz PIOVLBMTMQSCMD-CVEARBPZSA-N 2 0 319.493 2.873 20 0 DFADRP CC[N@H+](CCn1cc(C)cn1)Cc1ccc(C[NH+](C)C)cc1 ZINC000626062645 399741692 /nfs/dbraw/zinc/74/16/92/399741692.db2.gz ZXLFKBKBXOWRGA-UHFFFAOYSA-N 2 0 300.450 2.775 20 0 DFADRP CC[N@H+](Cc1ccc(C[NH+](C)C)cc1)[C@@H]1CCN(C(C)C)C1=O ZINC000626062157 399741873 /nfs/dbraw/zinc/74/18/73/399741873.db2.gz JTCGRHOMVKVHFS-GOSISDBHSA-N 2 0 317.477 2.579 20 0 DFADRP CC1CC[NH+](CCc2cccc(NC(=O)C(C)(C)C[NH3+])c2)CC1 ZINC000423852079 296456544 /nfs/dbraw/zinc/45/65/44/296456544.db2.gz SXWKNJOAYWMOQV-UHFFFAOYSA-N 2 0 317.477 2.884 20 0 DFADRP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1ccc2c(c1)OCCO2 ZINC000295921296 533341507 /nfs/dbraw/zinc/34/15/07/533341507.db2.gz JWKGRKLNKGLWGD-OHRKKDJYSA-N 2 0 302.418 2.734 20 0 DFADRP C[C@@H]([NH2+]CC1CCOCC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000309714448 533367920 /nfs/dbraw/zinc/36/79/20/533367920.db2.gz LFOUIKSXTPJYFT-VQIMIIECSA-N 2 0 302.462 2.913 20 0 DFADRP CO[C@]1(C)C[C@@H]([NH2+]C2CCN(c3cc[nH+]cc3)CC2)C1(C)C ZINC000297334676 533374066 /nfs/dbraw/zinc/37/40/66/533374066.db2.gz DAUQDWSZWTWKSN-SJLPKXTDSA-N 2 0 303.450 2.844 20 0 DFADRP COc1cccc(C[C@H]([NH2+]C[C@H]2CCC[N@H+](C)C2)C2CC2)c1 ZINC000121326612 542584766 /nfs/dbraw/zinc/58/47/66/542584766.db2.gz UNIQIDBHUMLDEA-APWZRJJASA-N 2 0 302.462 2.948 20 0 DFADRP c1cc(N2CCC([NH2+]CCN3CCCCCC3)CC2)cc[nH+]1 ZINC000298261673 285442607 /nfs/dbraw/zinc/44/26/07/285442607.db2.gz FQTFVBNLTKOVMG-UHFFFAOYSA-N 2 0 302.466 2.516 20 0 DFADRP C[C@@H](NCC[NH+]1CCCCC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272442929 130031489 /nfs/dbraw/zinc/03/14/89/130031489.db2.gz ITYHTARTBMEXLV-UYAOXDASSA-N 2 0 315.505 2.973 20 0 DFADRP C[C@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)C[NH+](C)C2CCC2)C1 ZINC000629961024 399770457 /nfs/dbraw/zinc/77/04/57/399770457.db2.gz GSARFIJDXXMNNO-DLBZAZTESA-N 2 0 321.509 2.584 20 0 DFADRP CCc1ccccc1[C@H]([NH3+])CNC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC000423937189 296467973 /nfs/dbraw/zinc/46/79/73/296467973.db2.gz GAXVUFKMKORGDN-CRAIPNDOSA-N 2 0 317.477 2.630 20 0 DFADRP COc1ccc(O[C@@H](C)C[NH2+][C@@H](C)C2CC[NH+](C)CC2)cc1 ZINC000129090681 542621735 /nfs/dbraw/zinc/62/17/35/542621735.db2.gz UTEVHSAHAPAIHJ-GJZGRUSLSA-N 2 0 306.450 2.782 20 0 DFADRP CSC1(C[NH+]2CCC(CCC[NH+]3CCOCC3)CC2)CC1 ZINC000348255690 285453004 /nfs/dbraw/zinc/45/30/04/285453004.db2.gz SFHDLTHHYYHRAL-UHFFFAOYSA-N 2 0 312.523 2.706 20 0 DFADRP C[C@@H]([NH2+]CC[C@H]1CCCO1)c1ccc(OCC[NH+](C)C)cc1 ZINC000131911953 542640108 /nfs/dbraw/zinc/64/01/08/542640108.db2.gz CFMZWXBMSYMHFX-NVXWUHKLSA-N 2 0 306.450 2.847 20 0 DFADRP C[C@H]([NH2+][C@H]1CCCN(Cc2ccccc2)C1)C1CC[NH+](C)CC1 ZINC000132795316 542643220 /nfs/dbraw/zinc/64/32/20/542643220.db2.gz DGSFRSCUHZMYAZ-PXNSSMCTSA-N 2 0 315.505 2.971 20 0 DFADRP C/C=C\C[C@@H]1CCC[N@H+](CC(=O)NC2CC[NH+](C(C)C)CC2)C1 ZINC000626162675 399782049 /nfs/dbraw/zinc/78/20/49/399782049.db2.gz XPQXQYBRTHZFJJ-VGOKWCNXSA-N 2 0 321.509 2.654 20 0 DFADRP C[C@H]([NH2+]Cc1cccc(N2CCCC2=O)c1)C1CC[NH+](C)CC1 ZINC000155314544 542695541 /nfs/dbraw/zinc/69/55/41/542695541.db2.gz AGHCBODAYAIMNO-HNNXBMFYSA-N 2 0 315.461 2.633 20 0 DFADRP Cc1cccn2cc(CC[NH2+]C3CC[NH+](CC4CC4)CC3)nc12 ZINC000156294913 542700718 /nfs/dbraw/zinc/70/07/18/542700718.db2.gz XOBCLVQHACXULD-UHFFFAOYSA-N 2 0 312.461 2.649 20 0 DFADRP CC[N@@H+]1CC[C@H]([NH2+]CCc2cn3cccc(C)c3n2)[C@H](C)C1 ZINC000156304892 542700907 /nfs/dbraw/zinc/70/09/07/542700907.db2.gz JUYKEHDKWOTFMP-WBVHZDCISA-N 2 0 300.450 2.505 20 0 DFADRP CC1(C)C[NH2+][C@@H]1C1CCN(C(=O)[C@@H]2CCCCCC[C@@H]2[NH3+])CC1 ZINC000424035089 296478348 /nfs/dbraw/zinc/47/83/48/296478348.db2.gz PBWSGXILWIZAMU-IXDOHACOSA-N 2 0 321.509 2.521 20 0 DFADRP C[NH2+]C[C@H]1CCCN(C(=O)CC[C@H]([NH3+])CC2CCCCC2)C1 ZINC000424064302 296481928 /nfs/dbraw/zinc/48/19/28/296481928.db2.gz YWXKVNVIWPWIII-SJORKVTESA-N 2 0 309.498 2.522 20 0 DFADRP C[C@H]([NH3+])C1CCN(C(=O)CC[C@H]([NH3+])CC2CCCCC2)CC1 ZINC000424077028 296483494 /nfs/dbraw/zinc/48/34/94/296483494.db2.gz MYKKGJJEERGQLU-YOEHRIQHSA-N 2 0 309.498 2.650 20 0 DFADRP CN(CCC[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccccc1F ZINC000166251631 542750394 /nfs/dbraw/zinc/75/03/94/542750394.db2.gz VTOXNQPJIUBDRA-JKSUJKDBSA-N 2 0 305.441 2.868 20 0 DFADRP CC(C)[N@@H+]1CCC[C@@H](CNC(=O)[C@H]([NH3+])c2cccc(Cl)c2)C1 ZINC000166357325 542751763 /nfs/dbraw/zinc/75/17/63/542751763.db2.gz AFFYTMDSSKYXFP-XJKSGUPXSA-N 2 0 323.868 2.576 20 0 DFADRP CCC(CC)(CNC(=O)[C@@H]1CCC[NH2+]1)[NH2+][C@@H](C)c1ccccc1 ZINC000168760321 542754213 /nfs/dbraw/zinc/75/42/13/542754213.db2.gz ACACEFFOPHNABC-RDJZCZTQSA-N 2 0 317.477 2.764 20 0 DFADRP Cc1cc2c(cc1C)[C@H]([NH2+]CC1(O)CC[NH+](C)CC1)CCS2 ZINC000275275700 292010140 /nfs/dbraw/zinc/01/01/40/292010140.db2.gz CPBPEHPDTCMGSU-MRXNPFEDSA-N 2 0 320.502 2.887 20 0 DFADRP C[C@@H]([NH2+][C@@H]1C[C@H]2CC[C@@H]1O2)c1ccc(OCC[NH+](C)C)cc1 ZINC000178310323 542776118 /nfs/dbraw/zinc/77/61/18/542776118.db2.gz XYMZXYBWFGAHHV-PILAGYSTSA-N 2 0 304.434 2.598 20 0 DFADRP CC(C)(C[NH+]1CCN(CC[NH+]2CCCC2)CC1)c1ccccc1 ZINC000179598899 542781652 /nfs/dbraw/zinc/78/16/52/542781652.db2.gz NZYKXHQIACYEDZ-UHFFFAOYSA-N 2 0 315.505 2.678 20 0 DFADRP CC[C@@H](CCO)[NH2+]C1CC[NH+]([C@@H](C)Cc2ccccc2)CC1 ZINC000449162721 297415877 /nfs/dbraw/zinc/41/58/77/297415877.db2.gz STZVJLIWGBKMIJ-WMZOPIPTSA-N 2 0 304.478 2.833 20 0 DFADRP C[C@@H]1C[C@H](Nc2ccccc2C[NH+]2CCC(O)CC2)CC[N@@H+]1C ZINC000182249507 542793863 /nfs/dbraw/zinc/79/38/63/542793863.db2.gz MKYYUHNWEZNMTI-NVXWUHKLSA-N 2 0 317.477 2.538 20 0 DFADRP CC[NH+](CC)CCN(Cc1cccs1)C(=O)CC(C)(C)[NH3+] ZINC000236865262 542898548 /nfs/dbraw/zinc/89/85/48/542898548.db2.gz FOFOMISBIDEEKP-UHFFFAOYSA-N 2 0 311.495 2.546 20 0 DFADRP OC[C@@H]1CCC[N@@H+]1CCCC[NH2+][C@@H]1CCc2ccc(F)cc21 ZINC000268896387 542961688 /nfs/dbraw/zinc/96/16/88/542961688.db2.gz KFIGENIRJABTKZ-FUHWJXTLSA-N 2 0 306.425 2.640 20 0 DFADRP C[NH+](C)CCNC(=O)c1ccc(C[NH2+][C@@H]2CCC(C)(C)C2)cc1 ZINC000273138678 542971766 /nfs/dbraw/zinc/97/17/66/542971766.db2.gz CUEVRQUZVXWLKY-QGZVFWFLSA-N 2 0 317.477 2.646 20 0 DFADRP C[C@H](N[C@@H]1CCCC[C@H]1[NH3+])c1ccc(OCC[NH+](C)C)cc1 ZINC000424381052 296506077 /nfs/dbraw/zinc/50/60/77/296506077.db2.gz YCOMAYLULLVGFN-BMGDILEWSA-N 2 0 305.466 2.548 20 0 DFADRP C[C@@H](C[NH2+]Cc1ccc(C2CCC2)cc1)CN1CC[NH+](C)CC1 ZINC000293577225 543020333 /nfs/dbraw/zinc/02/03/33/543020333.db2.gz NLJSOPGNIAPIHJ-KRWDZBQOSA-N 2 0 315.505 2.927 20 0 DFADRP C[C@H](CNC1CC[NH+]([C@H](C)Cc2ccccc2)CC1)[NH+](C)C ZINC000449228169 297425818 /nfs/dbraw/zinc/42/58/18/297425818.db2.gz XREOXJBQZOONQW-IAGOWNOFSA-N 2 0 303.494 2.622 20 0 DFADRP CC[NH+](CC)Cc1ccc(C(=O)N(C)C[C@H]2CCC[N@H+](C)C2)o1 ZINC000604346476 399840165 /nfs/dbraw/zinc/84/01/65/399840165.db2.gz QAMOEVIKYXYRGE-HNNXBMFYSA-N 2 0 321.465 2.535 20 0 DFADRP C[NH+]1CCN(C(C)(C)C[NH2+][C@H](c2ccccc2)C2CC2)CC1 ZINC000314607087 543069912 /nfs/dbraw/zinc/06/99/12/543069912.db2.gz DTSGKSDTTJRGEN-GOSISDBHSA-N 2 0 301.478 2.753 20 0 DFADRP [NH3+][C@@H]1CCC[C@@H](NC[C@@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC000309754142 543065284 /nfs/dbraw/zinc/06/52/84/543065284.db2.gz WRFPMLSSJZKESJ-IPMKNSEASA-N 2 0 301.478 2.758 20 0 DFADRP CC[C@H]([NH2+]CC(C)(C)N1CC[NH+](C)CC1)c1ccccc1F ZINC000317150631 543074938 /nfs/dbraw/zinc/07/49/38/543074938.db2.gz RIZCGCJCRLFZNQ-KRWDZBQOSA-N 2 0 307.457 2.892 20 0 DFADRP CCOc1ccc([C@H](C)[NH2+]CC(C)(C)N2CC[NH+](C)CC2)cc1 ZINC000320233455 543081597 /nfs/dbraw/zinc/08/15/97/543081597.db2.gz XJLADMKHSBRBLW-INIZCTEOSA-N 2 0 319.493 2.762 20 0 DFADRP CC(C)([NH3+])CCC(=O)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000320608601 543083019 /nfs/dbraw/zinc/08/30/19/543083019.db2.gz UKKLUQRMEDHXAN-UHFFFAOYSA-N 2 0 317.477 2.806 20 0 DFADRP CCCCN(CCCC)C(=O)CN1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000320998674 543083955 /nfs/dbraw/zinc/08/39/55/543083955.db2.gz NHSKPONEBUILFQ-QZTJIDSGSA-N 2 0 323.525 2.879 20 0 DFADRP O=C(CC[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1)Nc1cccc(F)c1 ZINC000321266068 543085487 /nfs/dbraw/zinc/08/54/87/543085487.db2.gz GNKCKVZIOXPIEK-YOEHRIQHSA-N 2 0 319.424 2.618 20 0 DFADRP CC[NH+](CC)[C@H](CNC(=O)[C@H]1CCC[C@@H]1C[NH3+])c1ccccc1 ZINC000321587629 543086108 /nfs/dbraw/zinc/08/61/08/543086108.db2.gz WINZATVMULRDOI-FGTMMUONSA-N 2 0 317.477 2.561 20 0 DFADRP c1cnn(-c2ccc(C[N@@H+]3CCC[C@@H]([C@H]4CCC[NH2+]4)C3)cc2)c1 ZINC000322151122 543088613 /nfs/dbraw/zinc/08/86/13/543088613.db2.gz ZCLXOXOBEUCOSH-IEBWSBKVSA-N 2 0 310.445 2.836 20 0 DFADRP C[C@@H]1CCCC[N@@H+]1CCC(=O)N(C)CC[NH+](C)C1CCCCC1 ZINC000339268952 543142843 /nfs/dbraw/zinc/14/28/43/543142843.db2.gz HHCADQWRVJBXFQ-QGZVFWFLSA-N 2 0 323.525 2.974 20 0 DFADRP c1ccc(CCOCCC[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000339070200 543140533 /nfs/dbraw/zinc/14/05/33/543140533.db2.gz ZKGXFBCVNYCIGR-OALUTQOASA-N 2 0 302.462 2.852 20 0 DFADRP C[C@@H]1CCCC[N@@H+]1CCC(=O)NC[C@H](c1cccs1)[NH+](C)C ZINC000339234694 543141836 /nfs/dbraw/zinc/14/18/36/543141836.db2.gz UVHGBRURJWXRIV-HUUCEWRRSA-N 2 0 323.506 2.732 20 0 DFADRP C[C@@H]1CCCC[N@@H+]1CCC(=O)NCCC[NH+]1CCCCCC1 ZINC000339238475 543142035 /nfs/dbraw/zinc/14/20/35/543142035.db2.gz NIHWRXOIFNVMIX-QGZVFWFLSA-N 2 0 309.498 2.633 20 0 DFADRP CC(C)[C@@H]1CC[C@@H]1[NH2+]Cc1ccncc1OCCC[NH+](C)C ZINC000343945637 543169850 /nfs/dbraw/zinc/16/98/50/543169850.db2.gz WJKMMNPGVQYWMN-IRXDYDNUSA-N 2 0 305.466 2.936 20 0 DFADRP C[NH+]1CCC(C[NH2+][C@H]2CC[C@@H]2C2CC2)(N2CCCCC2)CC1 ZINC000348102591 543183050 /nfs/dbraw/zinc/18/30/50/543183050.db2.gz NYLLZDIKUGTNRY-MSOLQXFVSA-N 2 0 305.510 2.715 20 0 DFADRP Cc1ccc(C)c(C[NH+]2CCN(CC[NH+]3CCCC3)CC2)c1 ZINC000052585135 425885056 /nfs/dbraw/zinc/88/50/56/425885056.db2.gz NPHSHNWEJXVYKH-UHFFFAOYSA-N 2 0 301.478 2.517 20 0 DFADRP CC[C@H](C(=O)N[C@H](C)C[NH+](CC)CC)[N@H+](C)Cc1ccccc1 ZINC000353415567 543235388 /nfs/dbraw/zinc/23/53/88/543235388.db2.gz KRVVZALZJHARPZ-SJLPKXTDSA-N 2 0 319.493 2.744 20 0 DFADRP CC(C)[C@@H]1CC[C@H]1[NH2+]Cc1ccc(C(=O)NCC[NH+](C)C)cc1 ZINC000353628857 543237064 /nfs/dbraw/zinc/23/70/64/543237064.db2.gz CNBYNPOHANALIR-ZWKOTPCHSA-N 2 0 317.477 2.502 20 0 DFADRP C[C@H]([NH2+]C[C@@H](O)C[NH+]1CCCC1)C1CCC(C(F)(F)F)CC1 ZINC000354205341 543242709 /nfs/dbraw/zinc/24/27/09/543242709.db2.gz AOKIRGGMGQBINU-VXGQWTEUSA-N 2 0 322.415 2.790 20 0 DFADRP C[C@@H](CCN1CC[NH+](C)CC1)[NH2+][C@H]1CCCc2ccc(F)cc21 ZINC000349339450 285838526 /nfs/dbraw/zinc/83/85/26/285838526.db2.gz CVFGWXXBEZMLMY-KXBFYZLASA-N 2 0 319.468 2.819 20 0 DFADRP CC(C)[C@@H]([NH2+]CC(C)(C)N1CC[NH+](C)CC1)c1ccccc1 ZINC000386106631 543300553 /nfs/dbraw/zinc/30/05/53/543300553.db2.gz PQMIHCSGKLJXIW-GOSISDBHSA-N 2 0 303.494 2.999 20 0 DFADRP CCC[NH+]1CCC([NH2+]C[C@@H](O)COc2c(C)cccc2C)CC1 ZINC000378967416 543296816 /nfs/dbraw/zinc/29/68/16/543296816.db2.gz WFCLVAANXOLKOB-GOSISDBHSA-N 2 0 320.477 2.507 20 0 DFADRP C[C@H]([NH2+]Cc1ccn(Cc2ccccc2)n1)C1CC[NH+](C)CC1 ZINC000389959363 543305396 /nfs/dbraw/zinc/30/53/96/543305396.db2.gz GPMSPQZODVRGSG-INIZCTEOSA-N 2 0 312.461 2.751 20 0 DFADRP C[C@H]1C[C@H]([NH2+]CC(C)(C)N2CC[NH+](C)CC2)c2ccccc21 ZINC000390129605 543305783 /nfs/dbraw/zinc/30/57/83/543305783.db2.gz HBKVRWGDLMMMLD-YJBOKZPZSA-N 2 0 301.478 2.851 20 0 DFADRP C[C@H]([NH2+][C@H]1CCN(Cc2ccccc2)C1)C1CC[NH+](C)CC1 ZINC000390765962 543306893 /nfs/dbraw/zinc/30/68/93/543306893.db2.gz QPLMMBOAACFNSD-LPHOPBHVSA-N 3 0 301.478 2.581 20 0 DFADRP CC1(C[NH2+]CCN2CC[NH+](Cc3ccccc3)CC2)CCC1 ZINC000390906301 543308141 /nfs/dbraw/zinc/30/81/41/543308141.db2.gz RWKKHJWADZGDEH-UHFFFAOYSA-N 2 0 301.478 2.584 20 0 DFADRP CCC[C@@H](C)NC(=O)[C@@H]1CCC[N@H+](CCC[NH+]2CCCCC2)C1 ZINC000125052581 145205804 /nfs/dbraw/zinc/20/58/04/145205804.db2.gz FDKWQEODLBPGFT-QZTJIDSGSA-N 2 0 323.525 2.879 20 0 DFADRP C[C@@H](CO[C@H]1CCOC1)[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000166380433 145234304 /nfs/dbraw/zinc/23/43/04/145234304.db2.gz LFKIERCUDHZWLM-YJBOKZPZSA-N 2 0 310.482 2.567 20 0 DFADRP C[C@H](C(=O)NC1CCCCC1)[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000171389350 145263911 /nfs/dbraw/zinc/26/39/11/145263911.db2.gz QKNXDDWZBIBZMW-MRXNPFEDSA-N 2 0 321.509 2.632 20 0 DFADRP [NH3+][C@@H]1CCC[C@H]([NH2+]Cc2ccc(F)c(Br)c2)C1 ZINC000414930684 543328169 /nfs/dbraw/zinc/32/81/69/543328169.db2.gz TYINEXYNMQPOSV-MNOVXSKESA-N 2 0 301.203 2.948 20 0 DFADRP COc1cc(C[NH2+][C@H]2CCC[C@@H]([NH3+])C2)c(SC)cc1OC ZINC000414934627 543328220 /nfs/dbraw/zinc/32/82/20/543328220.db2.gz YBCZRHLLWVIPDY-OLZOCXBDSA-N 2 0 310.463 2.785 20 0 DFADRP [NH3+][C@H]1CCC[C@H]([NH2+]Cc2c[nH]nc2-c2c(F)cccc2F)C1 ZINC000414931394 543328374 /nfs/dbraw/zinc/32/83/74/543328374.db2.gz UMQWTCOQCJQNKH-RYUDHWBXSA-N 2 0 306.360 2.714 20 0 DFADRP COc1ccc(C[NH2+][C@@H](C)[C@@H]2CC[NH2+]C2)c(C(F)(F)F)c1 ZINC000415076525 543328863 /nfs/dbraw/zinc/32/88/63/543328863.db2.gz CTVJUCCPNOZGMZ-WDEREUQCSA-N 2 0 302.340 2.802 20 0 DFADRP Cc1ccc(C[NH2+]CC2(N3CCCCC3)CC[NH+](C)CC2)o1 ZINC000174581890 145385382 /nfs/dbraw/zinc/38/53/82/145385382.db2.gz WKFQUVZJXWLAKN-UHFFFAOYSA-N 2 0 305.466 2.628 20 0 DFADRP [NH3+]C[C@H]1CC[C@H](Nc2nccc(N3Cc4ccccc4C3)n2)C1 ZINC000630513689 399897270 /nfs/dbraw/zinc/89/72/70/399897270.db2.gz FSAADFMQEKHLOJ-BBRMVZONSA-N 2 0 309.417 2.536 20 0 DFADRP COc1ccccc1N1CCC([NH2+]CC2=CC[N@H+](C)CC2)CC1 ZINC000631107455 399982129 /nfs/dbraw/zinc/98/21/29/399982129.db2.gz AXVJYRHNSQNSQK-UHFFFAOYSA-N 2 0 315.461 2.516 20 0 DFADRP COc1cc(F)cc(OC)c1C[NH2+]CC1(C)CC[NH+](C)CC1 ZINC000631109973 399982539 /nfs/dbraw/zinc/98/25/39/399982539.db2.gz UVENOTKSCLFQTE-UHFFFAOYSA-N 2 0 310.413 2.664 20 0 DFADRP CC[C@@H](C(=O)N1CCC(C)([NH+]2CCCC2)CC1)[NH+](CC)CC ZINC000633944231 399963622 /nfs/dbraw/zinc/96/36/22/399963622.db2.gz NXXNSSGUDACQDQ-INIZCTEOSA-N 2 0 309.498 2.584 20 0 DFADRP C[C@H](C[NH2+]Cc1ccc(F)c2ccccc12)N1CC[NH+](C)CC1 ZINC000631063307 399972296 /nfs/dbraw/zinc/97/22/96/399972296.db2.gz BGKWEPHEBARKOW-OAHLLOKOSA-N 2 0 315.436 2.704 20 0 DFADRP Cc1cc(C)c(/C=C\C[NH2+][C@H](C)CN2CC[NH+](C)CC2)cc1C ZINC000631067228 399973299 /nfs/dbraw/zinc/97/32/99/399973299.db2.gz INKOQDOWNPWSQN-LIXSYLKWSA-N 2 0 315.505 2.851 20 0 DFADRP Cc1scc(C[NH2+]C2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)c1C ZINC000631090612 399978935 /nfs/dbraw/zinc/97/89/35/399978935.db2.gz HMFAQXDSAAYSFW-IRXDYDNUSA-N 2 0 308.491 2.832 20 0 DFADRP CC(=O)Nc1cccc(C[NH2+]C2CCC(C[NH+](C)C)CC2)c1 ZINC000631099906 399980417 /nfs/dbraw/zinc/98/04/17/399980417.db2.gz PBBCMBSFGNCNRZ-UHFFFAOYSA-N 2 0 303.450 2.855 20 0 DFADRP CC[C@@H](C(=O)NC[C@H]1CC[N@@H+]1C1CCCCC1)[NH+](CC)CC ZINC000628545448 400039945 /nfs/dbraw/zinc/03/99/45/400039945.db2.gz POJRRZIIKWHXGD-SJORKVTESA-N 2 0 309.498 2.630 20 0 DFADRP CCC1([NH+](C)C)CCN(C(=O)[C@H](C)[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC000634120875 399985199 /nfs/dbraw/zinc/98/51/99/399985199.db2.gz PQMOAEXNCHMJPD-JYJNAYRXSA-N 2 0 309.498 2.581 20 0 DFADRP C[N@H+](CCCC[NH2+]Cc1ccncc1Br)C1CC1 ZINC000631154500 399991681 /nfs/dbraw/zinc/99/16/81/399991681.db2.gz CBGDSXLQDUVLDJ-UHFFFAOYSA-N 2 0 312.255 2.808 20 0 DFADRP C[C@]1(C[NH2+]C2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)CCCS1 ZINC000628228502 400004146 /nfs/dbraw/zinc/00/41/46/400004146.db2.gz QVVLHRGYTGNJDL-BRWVUGGUSA-N 2 0 312.523 2.630 20 0 DFADRP C[NH+]1CCN(c2cc[nH+]c(NCc3ccc4cc[nH]c4c3)c2)CC1 ZINC000631229488 400008567 /nfs/dbraw/zinc/00/85/67/400008567.db2.gz DBZDEZDRZFXOQT-UHFFFAOYSA-N 2 0 321.428 2.927 20 0 DFADRP Cc1ccc([C@H](C)C[NH+]2CCC([N@@H+]3CC[C@@H](O)C3)CC2)cc1 ZINC000628352123 400025056 /nfs/dbraw/zinc/02/50/56/400025056.db2.gz XTCSJFJUNFOOFI-VQIMIIECSA-N 2 0 302.462 2.630 20 0 DFADRP COc1cccc2c1OCCC[C@H]2[NH2+]C[C@H]1CC[N@@H+](C2CC2)C1 ZINC000631566135 400051996 /nfs/dbraw/zinc/05/19/96/400051996.db2.gz LQYCFQYJOHRDAV-RHSMWYFYSA-N 2 0 316.445 2.983 20 0 DFADRP CCC[C@@H]([NH2+]C1CCN(CC[NH+](C)C)CC1)c1cc(C)ccn1 ZINC000631567623 400052021 /nfs/dbraw/zinc/05/20/21/400052021.db2.gz YRMMQASDHOCQEK-GOSISDBHSA-N 2 0 318.509 2.847 20 0 DFADRP C[C@@H](CCc1c[nH]c2ccccc12)[NH2+]CC1(O)CC[NH+](C)CC1 ZINC000631580583 400054501 /nfs/dbraw/zinc/05/45/01/400054501.db2.gz AZIAQWQTDKIKNU-HNNXBMFYSA-N 2 0 315.461 2.535 20 0 DFADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C[NH2+][C@H]1CCOC[C@H]1C ZINC000631665359 400063904 /nfs/dbraw/zinc/06/39/04/400063904.db2.gz WMAPBIMFHDMCLG-FPAYPSAMSA-N 2 0 302.462 2.769 20 0 DFADRP OC[C@H]1C[C@@H]([NH2+][C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)C1 ZINC000631669667 400064684 /nfs/dbraw/zinc/06/46/84/400064684.db2.gz JGYNCLVJVAUWGX-CENDIDJXSA-N 2 0 314.473 2.648 20 0 DFADRP C[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+]CC[C@@H](O)C(F)F)CC1 ZINC000631696886 400067853 /nfs/dbraw/zinc/06/78/53/400067853.db2.gz ILRRNUIPJRJVHW-BPLDGKMQSA-N 2 0 304.425 2.635 20 0 DFADRP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCO[C@H]2c2ccc(F)cc2)CC[N@@H+]1C ZINC000631733331 400070896 /nfs/dbraw/zinc/07/08/96/400070896.db2.gz BOFLBNQNGHYYBB-SIUPPRGNSA-N 2 0 306.425 2.976 20 0 DFADRP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+][C@H]2CCC[C@@H]2O)CC1 ZINC000631742211 400071348 /nfs/dbraw/zinc/07/13/48/400071348.db2.gz NEBDKQQTZJDCJQ-MNEFBYGVSA-N 2 0 302.462 2.585 20 0 DFADRP Cc1nccnc1C[N@@H+]1CCCC[C@@H]1[C@@H](C[NH3+])Cc1ccccc1 ZINC000631824873 400077788 /nfs/dbraw/zinc/07/77/88/400077788.db2.gz SQCXKTPTKLYCJY-UYAOXDASSA-N 2 0 324.472 2.957 20 0 DFADRP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCC[N@H+](C[C@@H]3CCC(F)(F)C3)C2)C1 ZINC000631828888 400078162 /nfs/dbraw/zinc/07/81/62/400078162.db2.gz AVZNEYGAVFXZES-TUVASFSCSA-N 2 0 302.409 2.640 20 0 DFADRP COc1cccc(CC2CC[NH+](CC[C@@H]3CC[NH2+]C3)CC2)c1 ZINC000631835919 400078560 /nfs/dbraw/zinc/07/85/60/400078560.db2.gz IHSQLLUIYNWIMN-KRWDZBQOSA-N 2 0 302.462 2.949 20 0 DFADRP C[C@H]1C[N@H+](Cc2ccc(OCc3cccnc3)cc2)C[C@H]1C[NH3+] ZINC000631839375 400079005 /nfs/dbraw/zinc/07/90/05/400079005.db2.gz FRFFGFJNIYDJKX-MAUKXSAKSA-N 2 0 311.429 2.687 20 0 DFADRP CC1CC[NH+](Cc2ccccc2C[NH2+]Cc2cncn2C)CC1 ZINC000236633152 146022326 /nfs/dbraw/zinc/02/23/26/146022326.db2.gz UUYDLRBEQWQDOG-UHFFFAOYSA-N 2 0 312.461 2.942 20 0 DFADRP CC(C)CC[NH+]1CCC(CNC(=O)[C@@H]([NH3+])c2ccccc2)CC1 ZINC000236713471 146025039 /nfs/dbraw/zinc/02/50/39/146025039.db2.gz NXONJUOZHAJJQL-SFHVURJKSA-N 2 0 317.477 2.561 20 0 DFADRP CC[C@@H]1C[NH+]([C@H](C)CC[N@@H+]2CCCO[C@H](CC)C2)CCCO1 ZINC000439477930 543353437 /nfs/dbraw/zinc/35/34/37/543353437.db2.gz WDQKAROZHNYIHI-KZNAEPCWSA-N 2 0 312.498 2.767 20 0 DFADRP CC[C@@H]1C[N@H+](CC[C@@H](C)[NH+]2CCCO[C@@H](CC)C2)CCCO1 ZINC000439477929 543353466 /nfs/dbraw/zinc/35/34/66/543353466.db2.gz WDQKAROZHNYIHI-KURKYZTESA-N 2 0 312.498 2.767 20 0 DFADRP CC[C@H](C)[C@@H]([NH3+])C(=O)NCc1ccccc1C[NH+]1CCCCC1 ZINC000237082309 146036110 /nfs/dbraw/zinc/03/61/10/146036110.db2.gz UAHOPXGORQZKTK-MAUKXSAKSA-N 2 0 317.477 2.662 20 0 DFADRP C[C@H](CCNC(=O)[C@@]1(C)CCCC[NH2+]1)[N@H+](C)Cc1ccccc1 ZINC000237458533 146043798 /nfs/dbraw/zinc/04/37/98/146043798.db2.gz QTRLXFDEVLUOJD-VQIMIIECSA-N 2 0 317.477 2.545 20 0 DFADRP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@@H+]2CCOC1CCCCCC1 ZINC000441259435 543354894 /nfs/dbraw/zinc/35/48/94/543354894.db2.gz DOWYRFGEMXNVHD-NEWSRXKRSA-N 2 0 324.509 2.909 20 0 DFADRP [NH3+][C@H](C(=O)Nc1cccc(CC[NH+]2CCCC2)c1)c1ccccc1 ZINC000237819614 146053284 /nfs/dbraw/zinc/05/32/84/146053284.db2.gz UMJPRWRQSZSDIK-IBGZPJMESA-N 2 0 323.440 2.963 20 0 DFADRP [NH3+][C@@H](C(=O)Nc1cccc(CC[NH+]2CCCC2)c1)c1ccccc1 ZINC000237861852 146054220 /nfs/dbraw/zinc/05/42/20/146054220.db2.gz UMJPRWRQSZSDIK-LJQANCHMSA-N 2 0 323.440 2.963 20 0 DFADRP CC[C@H](O)CC[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000245663216 146091558 /nfs/dbraw/zinc/09/15/58/146091558.db2.gz GEZZYKZWBUGRKO-RDGPPVDQSA-N 2 0 302.462 2.933 20 0 DFADRP OC[C@H]1C=C[C@@H]([NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC000245721918 146096170 /nfs/dbraw/zinc/09/61/70/146096170.db2.gz OXLFWRLEGYHBGL-YHDCXSKOSA-N 2 0 312.457 2.709 20 0 DFADRP CCC[C@@H](O)C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000245710386 146096822 /nfs/dbraw/zinc/09/68/22/146096822.db2.gz NDHVIYILBLJWHH-FCGDIQPGSA-N 2 0 302.462 2.933 20 0 DFADRP C[N@@H+]1CCC[C@H]1CN[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC000245731236 146098559 /nfs/dbraw/zinc/09/85/59/146098559.db2.gz QGKRXWPERKMZBT-YRPNKDGESA-N 2 0 313.489 2.866 20 0 DFADRP C[C@H](O)C[NH+]1CCC(C[N@H+](C)Cc2ccc([C@@H]3C[C@H]3C)o2)CC1 ZINC000245745786 146099898 /nfs/dbraw/zinc/09/98/98/146099898.db2.gz MRYSHNDXXNEZOT-RVKKMQEKSA-N 2 0 320.477 2.928 20 0 DFADRP CCC[N@H+](C)C[C@@H]1CCN(c2nc3cccc(F)c3n2C)C1 ZINC000443510183 543357601 /nfs/dbraw/zinc/35/76/01/543357601.db2.gz OYJBVTSOAHWLFW-ZDUSSCGKSA-N 2 0 304.413 2.881 20 0 DFADRP C[C@H](C(=O)N1CCC[N@@H+](C2CCCC2)CC1)[NH+]1[C@H](C)CC[C@H]1C ZINC000247363963 146167782 /nfs/dbraw/zinc/16/77/82/146167782.db2.gz MTQUGIPSIXHTBX-BRWVUGGUSA-N 2 0 321.509 2.725 20 0 DFADRP COc1cccc([C@H](C)[NH2+]CCCC[N@@H+]2CCC[C@H]2CO)c1 ZINC000247371376 146168184 /nfs/dbraw/zinc/16/81/84/146168184.db2.gz RXORZUQGMLUISJ-RDJZCZTQSA-N 2 0 306.450 2.583 20 0 DFADRP O[C@H](CC1CCCC1)C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000249153829 146190142 /nfs/dbraw/zinc/19/01/42/146190142.db2.gz YFYOXKMJNLLNLJ-UHOSZYNNSA-N 2 0 306.494 2.876 20 0 DFADRP OCCC1(C[NH2+][C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]23)CC1 ZINC000250095557 146210114 /nfs/dbraw/zinc/21/01/14/146210114.db2.gz QSOUVRMGXCVXPX-CEXWTWQISA-N 2 0 314.473 2.649 20 0 DFADRP CC[NH+](C/C=C\C[N@@H+](CC)C[C@H]1CCCO1)C[C@@H]1CCCO1 ZINC000255888547 146234964 /nfs/dbraw/zinc/23/49/64/146234964.db2.gz OTQQIHSDVNGQOU-SPCWZHTESA-N 2 0 310.482 2.544 20 0 DFADRP C[C@H]([NH2+][C@H]1CCC[NH2+]CC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000261545459 146239519 /nfs/dbraw/zinc/23/95/19/146239519.db2.gz KAULMUCOKZAHJD-WDSOQIARSA-N 3 0 301.478 2.629 20 0 DFADRP C[C@@H]1C[C@H](C[NH+]2CCN(c3ccccc3Cl)CC2)CC[NH2+]1 ZINC000261594669 146244368 /nfs/dbraw/zinc/24/43/68/146244368.db2.gz AZFBEUBLRLDXED-HUUCEWRRSA-N 2 0 307.869 2.850 20 0 DFADRP CCC1(C[N@@H+]2C[C@@H](C[NH3+])[C@H](c3ccccc3)C2)CCOCC1 ZINC000261603208 146245183 /nfs/dbraw/zinc/24/51/83/146245183.db2.gz AOPLZSLMOXDIAD-MSOLQXFVSA-N 2 0 302.462 2.868 20 0 DFADRP CC[C@@H](C)c1ccc(NC(=O)CN2CC[C@](C)(C[NH3+])C2)cc1 ZINC000261632488 146250641 /nfs/dbraw/zinc/25/06/41/146250641.db2.gz FLYAAIGVLXFZNC-RDTXWAMCSA-N 2 0 303.450 2.809 20 0 DFADRP c1ccc2c(c1)OC[C@H](C[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1)O2 ZINC000261655462 146254828 /nfs/dbraw/zinc/25/48/28/146254828.db2.gz FSXPECMHCAFIJO-YLFCFFPRSA-N 2 0 316.445 2.727 20 0 DFADRP CCC[N@H+](Cc1cc(OC)c(OC)cc1C)C1CC[NH2+]CC1 ZINC000261673948 146258363 /nfs/dbraw/zinc/25/83/63/146258363.db2.gz LUCGKZDVBPCWMG-UHFFFAOYSA-N 2 0 306.450 2.976 20 0 DFADRP [NH3+]C[C@@H]1C[N@H+](Cc2cccc3c2OCCO3)C[C@H]1c1ccccc1 ZINC000261676184 146258578 /nfs/dbraw/zinc/25/85/78/146258578.db2.gz IBWFXBQDOIHMOC-MSOLQXFVSA-N 2 0 324.424 2.632 20 0 DFADRP [NH3+][C@@H]1CCCCCC[C@H]1C(=O)Nc1ccc2c(c1F)CC[NH2+]C2 ZINC000261738290 146268067 /nfs/dbraw/zinc/26/80/67/146268067.db2.gz NQSAUFXYDKTMIZ-HUUCEWRRSA-N 2 0 319.424 2.708 20 0 DFADRP C[C@H](CC(=O)NC[C@]1([NH+](C)C)CCC[C@@H](C)C1)[C@H]1CCC[NH2+]C1 ZINC000261745167 146269441 /nfs/dbraw/zinc/26/94/41/146269441.db2.gz OMACITXINHCRRE-VXNCWWDNSA-N 2 0 323.525 2.639 20 0 DFADRP CC(C)([NH3+])CN1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000261764493 146271796 /nfs/dbraw/zinc/27/17/96/146271796.db2.gz DGYRCZCGLNZFLI-LJQANCHMSA-N 2 0 301.478 2.712 20 0 DFADRP C[C@H]([NH3+])[C@@H]1CCCCN1Cc1cnn(Cc2ccc(F)cc2)c1 ZINC000261767905 146272837 /nfs/dbraw/zinc/27/28/37/146272837.db2.gz MHOIWBNOGIJZIT-KSSFIOAISA-N 2 0 316.424 2.772 20 0 DFADRP [NH3+]CC[C@@H]1CCC[N@H+](Cc2nc(-c3ccc(Cl)cc3)no2)C1 ZINC000261819800 146283497 /nfs/dbraw/zinc/28/34/97/146283497.db2.gz AQPSXYUFJBGJSP-LBPRGKRZSA-N 2 0 320.824 2.951 20 0 DFADRP C[C@]1(C[NH3+])CC[N@H+](Cc2ccc(OCc3ccccn3)cc2)C1 ZINC000261819407 146283534 /nfs/dbraw/zinc/28/35/34/146283534.db2.gz XQXJZXNLANSXMR-LJQANCHMSA-N 2 0 311.429 2.831 20 0 DFADRP CC(C)c1ccc(NC(=O)CN2CCC[C@@H]([C@@H](C)[NH3+])C2)cc1 ZINC000261863761 146290905 /nfs/dbraw/zinc/29/09/05/146290905.db2.gz GIFRMJKGRUIQDZ-GDBMZVCRSA-N 2 0 303.450 2.808 20 0 DFADRP Cc1ccc(CC[NH2+][C@@H]2CCC[C@@H]2[C@@H]2COCCN2)c(C)c1 ZINC000261900434 146297430 /nfs/dbraw/zinc/29/74/30/146297430.db2.gz HOSDOQNHXHCEIG-OTWHNJEPSA-N 2 0 302.462 2.593 20 0 DFADRP C[C@@]1(CN2CCC(C(=O)c3ccc(F)cc3)CC2)CC[NH2+]C1 ZINC000261900376 146298143 /nfs/dbraw/zinc/29/81/43/146298143.db2.gz VWTOIXKRGKFHDJ-GOSISDBHSA-N 2 0 304.409 2.720 20 0 DFADRP Clc1ccc2nc(C[NH+]3CCC([C@@H]4CCC[NH2+]4)CC3)cn2c1 ZINC000261914233 146300002 /nfs/dbraw/zinc/30/00/02/146300002.db2.gz GTDAJWPAZBRWEU-INIZCTEOSA-N 2 0 318.852 2.952 20 0 DFADRP CC(C)C[N@H+](C[C@H](O)c1ccc(F)cc1)C[C@@]1(C)CC[NH2+]C1 ZINC000261912102 146300135 /nfs/dbraw/zinc/30/01/35/146300135.db2.gz YMLYGPXHGVQMBR-ROUUACIJSA-N 2 0 308.441 2.817 20 0 DFADRP C[C@]1(CN2CC[N@H+](Cc3ccccc3)C(C)(C)C2)CC[NH2+]C1 ZINC000261911247 146300748 /nfs/dbraw/zinc/30/07/48/146300748.db2.gz YHFHZLHHOKVALY-IBGZPJMESA-N 2 0 301.478 2.582 20 0 DFADRP Cc1ccc(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)c(-c2cnn(C)c2)c1 ZINC000261925866 146302502 /nfs/dbraw/zinc/30/25/02/146302502.db2.gz LAQLLHGVMCTSBT-RYGJVYDSSA-N 2 0 324.472 2.955 20 0 DFADRP C[NH2+]C[C@@H]1CCCN(Cc2ccc(OC(F)F)c(OC)c2)C1 ZINC000261950905 146308330 /nfs/dbraw/zinc/30/83/30/146308330.db2.gz MXCTYGXOBSZMFD-ZDUSSCGKSA-N 2 0 314.376 2.728 20 0 DFADRP CC[C@@H]1CN(C[C@H]2CCC[NH2+]C2)CC[N@@H+]1Cc1ccccc1 ZINC000261954902 146309147 /nfs/dbraw/zinc/30/91/47/146309147.db2.gz OLOLVOMQUFAIRX-RBUKOAKNSA-N 2 0 301.478 2.582 20 0 DFADRP COC(=O)c1ccc(Cl)c(C[N@@H+]2CCC[C@@H](CC[NH3+])C2)c1 ZINC000261958675 146310075 /nfs/dbraw/zinc/31/00/75/146310075.db2.gz OYHDNSFKCLESRG-LBPRGKRZSA-N 2 0 310.825 2.687 20 0 DFADRP C[NH2+]CCC1CC[NH+]([C@H](C)C(=O)N[C@@H]2CCC[C@@H](C)[C@@H]2C)CC1 ZINC000261979101 146312708 /nfs/dbraw/zinc/31/27/08/146312708.db2.gz HELZRRMLPJVLTR-KYHPRHEASA-N 2 0 323.525 2.637 20 0 DFADRP C[C@H](NC(=O)C[N@@H+]1CCC[C@@H](CC[NH3+])C1)c1ccccc1Cl ZINC000261980811 146314935 /nfs/dbraw/zinc/31/49/35/146314935.db2.gz RHFQXEITOGOAOB-KBPBESRZSA-N 2 0 323.868 2.578 20 0 DFADRP C[NH2+]CCC1CC[NH+]([C@@H](C)C(=O)N[C@H](C)c2ccccc2)CC1 ZINC000261985459 146317204 /nfs/dbraw/zinc/31/72/04/146317204.db2.gz JTUKNINUCCRPBH-CVEARBPZSA-N 2 0 317.477 2.574 20 0 DFADRP C[NH2+]CCC1CC[NH+]([C@H](C)C(=O)N[C@H](C)c2ccccc2)CC1 ZINC000261985462 146318002 /nfs/dbraw/zinc/31/80/02/146318002.db2.gz JTUKNINUCCRPBH-HZPDHXFCSA-N 2 0 317.477 2.574 20 0 DFADRP C[C@H]1CN(Cc2ccc(-n3cnc4ccccc43)cc2)C[C@H]1[NH3+] ZINC000262037141 146326177 /nfs/dbraw/zinc/32/61/77/146326177.db2.gz OTCSPXVLZVIWEZ-WMLDXEAASA-N 2 0 306.413 2.805 20 0 DFADRP Cc1ccc(C[N@H+]2CCC[C@H]([C@H](C)[NH3+])C2)c(-c2cnn(C)c2)c1 ZINC000262052675 146326941 /nfs/dbraw/zinc/32/69/41/146326941.db2.gz ZTXLJFSFASGOTE-HOTGVXAUSA-N 2 0 312.461 2.955 20 0 DFADRP CC[N@H+](CC1CCN(c2ccccn2)CC1)C[C@@]1(C)CC[NH2+]C1 ZINC000262115829 146335333 /nfs/dbraw/zinc/33/53/33/146335333.db2.gz WXPYEHZRKOSKKJ-IBGZPJMESA-N 2 0 316.493 2.620 20 0 DFADRP c1cc(C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)cc2c1OCO2 ZINC000262322423 146351334 /nfs/dbraw/zinc/35/13/34/146351334.db2.gz RHJLICVKGGYPIB-ARFHVFGLSA-N 2 0 302.418 2.816 20 0 DFADRP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+]C[C@H]1COc2ccccc2O1 ZINC000262358473 146353466 /nfs/dbraw/zinc/35/34/66/146353466.db2.gz WEIMOEVKMJTCFB-OAGGEKHMSA-N 2 0 304.434 2.727 20 0 DFADRP C[C@H](C(=O)Nc1ccc(C[NH+]2CCC(C)CC2)cc1)C1C[NH2+]C1 ZINC000262380484 146355539 /nfs/dbraw/zinc/35/55/39/146355539.db2.gz MUWNPGZKVOBNHY-HNNXBMFYSA-N 2 0 315.461 2.713 20 0 DFADRP CCCOc1ccc(OCC[N@@H+]2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)cc1 ZINC000262560881 146371305 /nfs/dbraw/zinc/37/13/05/146371305.db2.gz VLLFYPTWBQUWIB-QGTPRVQTSA-N 2 0 304.434 2.523 20 0 DFADRP C[C@@H]1C[N@@H+](CCCC[NH2+]Cc2scnc2C2CC2)C[C@H](C)O1 ZINC000486940866 543400245 /nfs/dbraw/zinc/40/02/45/543400245.db2.gz PPBLCTLYMJFXBM-OKILXGFUSA-N 2 0 323.506 3.000 20 0 DFADRP Cc1cccc(NC(=O)[C@H](C)[NH+]2CCC(C[NH+](C)C)CC2)c1 ZINC000354383814 147017013 /nfs/dbraw/zinc/01/70/13/147017013.db2.gz KMLZQQLDTAYLPA-HNNXBMFYSA-N 2 0 303.450 2.596 20 0 DFADRP COC(=O)C(C)(C)CC[NH2+]Cc1cccc(C[NH+]2CCCC2)c1 ZINC000354582340 147087132 /nfs/dbraw/zinc/08/71/32/147087132.db2.gz HIZKJUNYSODKHR-UHFFFAOYSA-N 2 0 318.461 2.961 20 0 DFADRP C[C@@](CO)(C[NH2+]C1CC[NH+](CC2CC2)CC1)Cc1ccccc1 ZINC000514982082 543422346 /nfs/dbraw/zinc/42/23/46/543422346.db2.gz HTKBVGGZLSVGCG-FQEVSTJZSA-N 2 0 316.489 2.692 20 0 DFADRP CC[N@@H+]1CCCC[C@@H]1C(=O)NCC(C)(C)[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000354706713 147121413 /nfs/dbraw/zinc/12/14/13/147121413.db2.gz BOIYYCSSHSSCKK-YESZJQIVSA-N 2 0 323.525 2.734 20 0 DFADRP C[N@@H+]1CCCC[C@H]1CCC(=O)N1CC[NH+](C2CCCCC2)CC1 ZINC000354924282 147197584 /nfs/dbraw/zinc/19/75/84/147197584.db2.gz WOPWNEKLDWXGSZ-KRWDZBQOSA-N 2 0 321.509 2.728 20 0 DFADRP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@@H+]2C[C@H]1C[C@@H]1c1ccccc1 ZINC000355218363 147226726 /nfs/dbraw/zinc/22/67/26/147226726.db2.gz HSXNRLPNUUETLU-WAPOTWQKSA-N 2 0 314.473 2.974 20 0 DFADRP CCn1nc(C)c(C[N@@H+]2CCC[C@H](Cc3nccn3C)C2)c1C ZINC000355365351 147284702 /nfs/dbraw/zinc/28/47/02/147284702.db2.gz MEXZHEBAGCHNHJ-MRXNPFEDSA-N 2 0 315.465 2.708 20 0 DFADRP COc1c[nH+]ccc1N1CC[NH+](Cc2cccc3cc[nH]c32)CC1 ZINC000355645439 147395138 /nfs/dbraw/zinc/39/51/38/147395138.db2.gz DEBVTGGGCURYTJ-UHFFFAOYSA-N 2 0 322.412 2.894 20 0 DFADRP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)[C@]2(C)CCCC[NH2+]2)C1 ZINC000357787213 148122697 /nfs/dbraw/zinc/12/26/97/148122697.db2.gz GKPGXPCSVBVQEB-AOIWGVFYSA-N 2 0 321.509 2.632 20 0 DFADRP CC[NH+](CC)CCO[C@H]1CC[N@H+](CCOc2cccc(C)c2)C1 ZINC000350229305 286020119 /nfs/dbraw/zinc/02/01/19/286020119.db2.gz YQLZHKHWTKEDRU-IBGZPJMESA-N 2 0 320.477 2.807 20 0 DFADRP C[C@H]1C[N@H+](C)CC[C@H]1[NH2+]CCCC(=O)Nc1ccc(Cl)cc1 ZINC000358013164 148211961 /nfs/dbraw/zinc/21/19/61/148211961.db2.gz JASNKDNSSPTCMH-XJKSGUPXSA-N 2 0 323.868 2.989 20 0 DFADRP Cc1ccc(F)c(CC[NH2+]Cc2cc(C3CC[NH2+]CC3)no2)c1 ZINC000425897683 296603449 /nfs/dbraw/zinc/60/34/49/296603449.db2.gz VQLKJJAGIGYWHP-UHFFFAOYSA-N 2 0 317.408 2.921 20 0 DFADRP Cc1nc([C@@H](C)[NH2+]CCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)cs1 ZINC000358034627 148220485 /nfs/dbraw/zinc/22/04/85/148220485.db2.gz HNLZHSBTPMDWJO-HZSPNIEDSA-N 2 0 311.495 2.992 20 0 DFADRP C[NH+](C)CC1CC[NH+](C[C@@H]2CCN(c3ccccc3)C2)CC1 ZINC000637907643 543494444 /nfs/dbraw/zinc/49/44/44/543494444.db2.gz PPWMZVRLVWBHFU-SFHVURJKSA-N 2 0 301.478 2.787 20 0 DFADRP C[C@H]1C[N@H+](C)CC[C@H]1[NH2+]CCc1nc2ccccc2n1C(F)F ZINC000358168956 148268775 /nfs/dbraw/zinc/26/87/75/148268775.db2.gz OLPBYULNXZBRGM-QWHCGFSZSA-N 2 0 322.403 2.904 20 0 DFADRP c1cc2cc(CC[NH2+]Cc3cc(C4CC[NH2+]CC4)no3)ccc2[nH]1 ZINC000425897246 296603270 /nfs/dbraw/zinc/60/32/70/296603270.db2.gz SLQGTSJTZHWBHG-UHFFFAOYSA-N 2 0 324.428 2.955 20 0 DFADRP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]CCOc1ncc(Cl)cc1Cl ZINC000358283640 148318822 /nfs/dbraw/zinc/31/88/22/148318822.db2.gz GLVNJPFCUIWIQX-ZWNOBZJWSA-N 2 0 318.248 2.697 20 0 DFADRP Cc1nc(C)c([C@H](C)NC2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)s1 ZINC000358308790 148323044 /nfs/dbraw/zinc/32/30/44/148323044.db2.gz ZMJRASKQQPKNCC-APHBMKBZSA-N 2 0 323.506 2.788 20 0 DFADRP Cc1cnc(CC[NH2+]C2CC[NH+]([C@@H]3CCCC[C@H]3C)CC2)nc1 ZINC000358360093 148341302 /nfs/dbraw/zinc/34/13/02/148341302.db2.gz VJDCFVKXKSOIMG-SJLPKXTDSA-N 2 0 316.493 2.960 20 0 DFADRP O=C(CC[N@@H+]1CCC2(C1)CC[NH2+]CC2)Nc1ccc(Cl)cc1 ZINC000358504506 148379822 /nfs/dbraw/zinc/37/98/22/148379822.db2.gz GYSPBUSHQPNADK-UHFFFAOYSA-N 2 0 321.852 2.744 20 0 DFADRP C[C@H](Cc1cnn(C)c1)[NH2+][C@H]1C[C@@H](C)N(Cc2ccccc2)C1 ZINC000350484975 286048779 /nfs/dbraw/zinc/04/87/79/286048779.db2.gz YDEMTWSTIFVSKT-MDZRGWNJSA-N 2 0 312.461 2.604 20 0 DFADRP C[C@@H]1C[C@@H](C)C[NH+](CCN2CC[NH+](C3CCCCC3)CC2)C1 ZINC000660010314 543524427 /nfs/dbraw/zinc/52/44/27/543524427.db2.gz JHRQTOTVWRRFNJ-QZTJIDSGSA-N 2 0 307.526 2.915 20 0 DFADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]C[C@@](C)(OC)C2CC2)[C@@H](C)C1 ZINC000361010510 149006846 /nfs/dbraw/zinc/00/68/46/149006846.db2.gz PMEHJBANKOIQCW-RYQLBKOJSA-N 2 0 312.498 2.528 20 0 DFADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]C[C@](C)(OC)C2CC2)[C@@H](C)C1 ZINC000361010512 149006961 /nfs/dbraw/zinc/00/69/61/149006961.db2.gz PMEHJBANKOIQCW-SZMVWBNQSA-N 2 0 312.498 2.528 20 0 DFADRP Cc1nccn1CC[NH+]1CCC(CCCn2ccnc2)CC1 ZINC000361074912 149022932 /nfs/dbraw/zinc/02/29/32/149022932.db2.gz WMXOTNSTEIPDCJ-UHFFFAOYSA-N 2 0 301.438 2.580 20 0 DFADRP Cn1cc(C[N@@H+]2CC[C@H](C3CC[NH+](C)CC3)C2)c(C(F)F)n1 ZINC000361117392 149032049 /nfs/dbraw/zinc/03/20/49/149032049.db2.gz JMSVDPWBZBNWPF-ZDUSSCGKSA-N 2 0 312.408 2.521 20 0 DFADRP CC(C)C[C@H]([NH2+]C[C@@H](C)N1CC[NH+](C)CC1)c1ccccc1 ZINC000361184873 149049951 /nfs/dbraw/zinc/04/99/51/149049951.db2.gz YXRJKZJYWQNTDE-MJGOQNOKSA-N 2 0 303.494 2.999 20 0 DFADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@@](C)(O)C1CC1 ZINC000361347211 149091750 /nfs/dbraw/zinc/09/17/50/149091750.db2.gz TXMIINUZHVVKBE-ATZDWAIDSA-N 2 0 302.462 2.648 20 0 DFADRP C[C@H]([NH2+][C@H]1CCN(C)[C@@H](C)C1)c1cccc(OCC[NH+](C)C)c1 ZINC000361765718 149213193 /nfs/dbraw/zinc/21/31/93/149213193.db2.gz PYLNDERVCZWBNA-BQFCYCMXSA-N 2 0 319.493 2.760 20 0 DFADRP COc1cccc(NC(=[NH2+])NCC2C[C@H]3CC[C@@H](C2)[N@H+]3C)c1 ZINC000361804269 149224049 /nfs/dbraw/zinc/22/40/49/149224049.db2.gz PPJWCAKTUYSUBJ-LQDVMPOASA-N 2 0 302.422 2.504 20 0 DFADRP [NH2+]=C(NC[C@H]1CCC[N@H+](Cc2ccccc2)C1)N1CCCCC1 ZINC000361803941 149224822 /nfs/dbraw/zinc/22/48/22/149224822.db2.gz NBQNXNLXZOUKFP-GOSISDBHSA-N 2 0 314.477 2.909 20 0 DFADRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H]2CC[C@H]2SC)[C@@H](C)C1 ZINC000361937495 149260540 /nfs/dbraw/zinc/26/05/40/149260540.db2.gz IUBDHZNIFPFROL-CAOSSQGBSA-N 2 0 300.512 2.607 20 0 DFADRP COc1ccc(C[NH+]2CCC3(C[C@@H]3C[N@H+](C)C3CC3)CC2)nc1 ZINC000361988588 149271570 /nfs/dbraw/zinc/27/15/70/149271570.db2.gz XCPZLFDMFGBDEI-OAHLLOKOSA-N 2 0 315.461 2.787 20 0 DFADRP Cc1ccc(NC(=O)[C@@H](C)[NH+]2CCC(C[NH+](C)C)CC2)cc1C ZINC000350947381 286101327 /nfs/dbraw/zinc/10/13/27/286101327.db2.gz FSIJDOLDVSOHSU-MRXNPFEDSA-N 2 0 317.477 2.904 20 0 DFADRP CC[N@H+](C)C[C@H]1CC[NH+](CCC(=O)Nc2cccc(F)c2C)C1 ZINC000362393652 149296187 /nfs/dbraw/zinc/29/61/87/149296187.db2.gz UHYHHGAMUNIFEW-OAHLLOKOSA-N 2 0 321.440 2.736 20 0 DFADRP OC[C@H]1CCC[N@@H+]1CCCC[NH2+]Cc1cc2ccc(F)cc2[nH]1 ZINC000362924795 149399278 /nfs/dbraw/zinc/39/92/78/149399278.db2.gz ACFOFAOLPVVQCM-QGZVFWFLSA-N 2 0 319.424 2.634 20 0 DFADRP Cc1cc(C)n(-c2ccc(C[N@@H+]3C[C@@H]4CC[C@@H]([NH3+])[C@@H]4C3)cc2)n1 ZINC000351479510 286130669 /nfs/dbraw/zinc/13/06/69/286130669.db2.gz RIZIOUGDKFODCM-QXAKKESOSA-N 2 0 310.445 2.658 20 0 DFADRP Cn1nccc1[C@@H]1CCC[C@@H]([NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)C1 ZINC000369142732 149745052 /nfs/dbraw/zinc/74/50/52/149745052.db2.gz JTSXFOSFBHPODP-ARFHVFGLSA-N 2 0 302.466 2.520 20 0 DFADRP Cc1nc(C[C@H]2CCC[NH+](CC[C@@H]3CCCC[N@H+]3C)C2)no1 ZINC000351545327 286149358 /nfs/dbraw/zinc/14/93/58/286149358.db2.gz OWTPDHKGCIYNLX-CVEARBPZSA-N 2 0 306.454 2.507 20 0 DFADRP C[C@H](c1ccccc1)[N@@H+]1CCC[C@@H](CN2CC[NH+](C)CC2)C1 ZINC000371265708 150012366 /nfs/dbraw/zinc/01/23/66/150012366.db2.gz DJSIHCPWDBPTPW-MSOLQXFVSA-N 2 0 301.478 2.707 20 0 DFADRP Cc1cc(NC(=O)N2CCC([NH2+]C3CCCC3)CC2)c(C)cn1 ZINC000371313223 150020533 /nfs/dbraw/zinc/02/05/33/150020533.db2.gz KHNNSKKQITWZDT-UHFFFAOYSA-N 2 0 316.449 2.649 20 0 DFADRP C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@H]1[NH2+]CCCOC1CCCC1 ZINC000371978085 150120559 /nfs/dbraw/zinc/12/05/59/150120559.db2.gz IOJJPDGKTPSECY-NZSAHSFTSA-N 2 0 324.509 2.815 20 0 DFADRP C[C@@H]1C[C@H](NC[C@H]2CCC[NH+]2CCc2ccccc2)CC[N@@H+]1C ZINC000372060086 150130392 /nfs/dbraw/zinc/13/03/92/150130392.db2.gz OUIVEBJLMIKVFL-MISYRCLQSA-N 2 0 315.505 2.766 20 0 DFADRP C[N@@H+]1CC[C@@H](CNC(=O)CCCCCC[NH3+])[C@@H]1c1cccs1 ZINC000372098240 150136992 /nfs/dbraw/zinc/13/69/92/150136992.db2.gz HXPZTXPAAJOXBR-WMLDXEAASA-N 2 0 323.506 2.766 20 0 DFADRP C[C@@H]([NH2+]CCc1cnccn1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000372355313 150166428 /nfs/dbraw/zinc/16/64/28/150166428.db2.gz LOTQDJORXWGBDV-AEFFLSMTSA-N 2 0 310.445 2.519 20 0 DFADRP CCc1ccccc1C[N@H+](C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000372459879 150175400 /nfs/dbraw/zinc/17/54/00/150175400.db2.gz KESUPVNLQCGNSV-HXUWFJFHSA-N 2 0 315.505 2.849 20 0 DFADRP COC(=O)[C@H]1CC[N@H+](CC(C)(C)C[NH+](C)Cc2ccccc2)C1 ZINC000351609958 286168439 /nfs/dbraw/zinc/16/84/39/286168439.db2.gz WUMKKRSSVPNHEK-KRWDZBQOSA-N 2 0 318.461 2.640 20 0 DFADRP CC1CCC([NH+]2CCC(NC(=O)[C@H]3CC[NH2+][C@@H](C)C3)CC2)CC1 ZINC000373838633 150266495 /nfs/dbraw/zinc/26/64/95/150266495.db2.gz ZVABWGDSEBTOTF-LPMVOBIJSA-N 2 0 321.509 2.534 20 0 DFADRP C[C@@H]1C[N@H+](CCCc2ccccc2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000374322237 150344360 /nfs/dbraw/zinc/34/43/60/150344360.db2.gz CLVAKUQSUXLERE-QUCCMNQESA-N 2 0 315.505 2.577 20 0 DFADRP CCn1ccnc1C[NH+]1CCC2(C[C@@H]2C[N@H+](C)C2CC2)CC1 ZINC000374319348 150344403 /nfs/dbraw/zinc/34/44/03/150344403.db2.gz XRJJOLHXOBQICS-OAHLLOKOSA-N 2 0 302.466 2.599 20 0 DFADRP CCO[C@@H](CC[NH+](C)C)C[NH2+][C@@H](C)c1ccc(NC(C)=O)cc1 ZINC000182113329 286198141 /nfs/dbraw/zinc/19/81/41/286198141.db2.gz JUDDNMLXMMULSB-KSSFIOAISA-N 2 0 321.465 2.652 20 0 DFADRP Cc1sccc1C[N@@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000351699655 286197254 /nfs/dbraw/zinc/19/72/54/286197254.db2.gz CJJARDYLIWRLMI-RHSMWYFYSA-N 2 0 307.507 2.514 20 0 DFADRP CCN(CCC[NH+]1CCCC1)C(=O)[C@@H](C)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000351779658 286216779 /nfs/dbraw/zinc/21/67/79/286216779.db2.gz CFGOZUWLPKICST-IXDOHACOSA-N 2 0 309.498 2.582 20 0 DFADRP CC[C@@H](C)CCC(=O)N(CC[NH+](C)C)C[C@H]1CCC[N@@H+]1CC ZINC000351805890 286222836 /nfs/dbraw/zinc/22/28/36/286222836.db2.gz DCEIUHOCQSGYGR-IAGOWNOFSA-N 2 0 311.514 2.687 20 0 DFADRP CCOC(=O)C1(C[NH2+]C2CC[NH+]([C@@H]3CCC[C@@H](C)C3)CC2)CC1 ZINC000351914768 286243325 /nfs/dbraw/zinc/24/33/25/286243325.db2.gz DRENRJIZLAOZMJ-NVXWUHKLSA-N 2 0 322.493 2.962 20 0 DFADRP CCOC(=O)C1(C[NH2+]C2CC[NH+]([C@H]3CCCC[C@@H]3C)CC2)CC1 ZINC000351915578 286243360 /nfs/dbraw/zinc/24/33/60/286243360.db2.gz OYWRRXGUZXPWIZ-RDJZCZTQSA-N 2 0 322.493 2.962 20 0 DFADRP CCSc1cccc(C[N@H+](C)C2CCN(CCO)CC2)c1 ZINC000352004633 286267213 /nfs/dbraw/zinc/26/72/13/286267213.db2.gz WHGTWUVWTXCYDX-UHFFFAOYSA-N 2 0 308.491 2.687 20 0 DFADRP CCO[C@@H]1C[C@@H]([NH2+]CC2(C[NH+](C)C)CCCC2)C12CCOCC2 ZINC000186505233 286279146 /nfs/dbraw/zinc/27/91/46/286279146.db2.gz QYTXOOILGDWQHA-IAGOWNOFSA-N 2 0 324.509 2.672 20 0 DFADRP Cn1nccc1-c1ccccc1C[NH2+]C[C@H]1CC[N@@H+](C2CC2)C1 ZINC000352114299 286295612 /nfs/dbraw/zinc/29/56/12/286295612.db2.gz WKZQFGGJVAYDEW-OAHLLOKOSA-N 2 0 310.445 2.661 20 0 DFADRP Cn1nccc1-c1ccccc1C[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000352142244 286302901 /nfs/dbraw/zinc/30/29/01/286302901.db2.gz IMQMBXWKRSPDCV-IAGOWNOFSA-N 2 0 310.445 2.804 20 0 DFADRP C[C@@H](NC(=O)C[N@H+](CCC[NH3+])CC1CCCC1)c1cccs1 ZINC000352496742 286388815 /nfs/dbraw/zinc/38/88/15/286388815.db2.gz YZTBTYNYOQOUFM-CQSZACIVSA-N 2 0 323.506 2.766 20 0 DFADRP C[C@@H]1CCCC[C@@H]1NC(=O)C[N@H+](CCC[NH3+])CC1CCCC1 ZINC000352510505 286393295 /nfs/dbraw/zinc/39/32/95/286393295.db2.gz NTHSVXWLWBIVEO-WBVHZDCISA-N 2 0 309.498 2.522 20 0 DFADRP CC[C@H]1[NH2+]CC[C@H]1C(=O)NCC1([NH+]2CCCCC2)CCCCC1 ZINC000353197583 286577190 /nfs/dbraw/zinc/57/71/90/286577190.db2.gz YQFSWTHMCXTDPD-IAGOWNOFSA-N 2 0 321.509 2.680 20 0 DFADRP CC[C@@H]1[NH2+]CC[C@H]1C(=O)NCC1([NH+]2CCCCC2)CCCCC1 ZINC000353197585 286577192 /nfs/dbraw/zinc/57/71/92/286577192.db2.gz YQFSWTHMCXTDPD-SJORKVTESA-N 2 0 321.509 2.680 20 0 DFADRP CC(C)CC[NH+]1CCC(C[NH2+][C@@H](C)C(C)(C)n2cncn2)CC1 ZINC000353253315 286591611 /nfs/dbraw/zinc/59/16/11/286591611.db2.gz LEFRJMCLRJQJEN-INIZCTEOSA-N 2 0 321.513 2.749 20 0 DFADRP CC[C@@H]([NH2+]C[C@@H](C)C[NH+]1CCCCC1)C1(C(=O)OC)CCC1 ZINC000353339173 286617657 /nfs/dbraw/zinc/61/76/57/286617657.db2.gz VRFCUIQNHUBARL-HZPDHXFCSA-N 2 0 310.482 2.820 20 0 DFADRP CCC(CC)[C@@H](C[NH2+][C@@H](C)C(C)(C)n1cncn1)[NH+]1CCCC1 ZINC000353411523 286637992 /nfs/dbraw/zinc/63/79/92/286637992.db2.gz KJSHTIGMYPVZCV-DOTOQJQBSA-N 2 0 321.513 2.892 20 0 DFADRP CSC1(C[NH2+][C@@H](C)C2CCSCC2)CC[NH+](C)CC1 ZINC000353665458 286657530 /nfs/dbraw/zinc/65/75/30/286657530.db2.gz ZMLCNNYNONIXQD-ZDUSSCGKSA-N 2 0 302.553 2.935 20 0 DFADRP CC(C)O[C@H]1C[C@H]([NH2+]C2CC[NH+](C[C@@H]3CCOC3)CC2)C1(C)C ZINC000185227698 158049730 /nfs/dbraw/zinc/04/97/30/158049730.db2.gz ZMORAMHFOUEOQC-SZMVWBNQSA-N 2 0 324.509 2.669 20 0 DFADRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@@H]1C[C@H](OC(C)C)C1(C)C ZINC000185236143 158049992 /nfs/dbraw/zinc/04/99/92/158049992.db2.gz ALJRLPQGWQHESM-OAGGEKHMSA-N 2 0 300.487 2.525 20 0 DFADRP CC[C@H](CO)[NH+]1CCN(c2c(C)c[nH+]c3c(C)cccc32)CC1 ZINC000185329055 158054481 /nfs/dbraw/zinc/05/44/81/158054481.db2.gz NXMMCELLYYEYRC-MRXNPFEDSA-N 2 0 313.445 2.745 20 0 DFADRP CC[N@H+](C)[C@H](C(=O)N[C@H](CC(C)C)C[NH+](C)C)c1ccccc1 ZINC000246419371 158089634 /nfs/dbraw/zinc/08/96/34/158089634.db2.gz VLUVVYSMZUSMLK-MSOLQXFVSA-N 2 0 319.493 2.772 20 0 DFADRP CCN(CC)C(=O)[C@H](C)N1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000246381910 158090067 /nfs/dbraw/zinc/09/00/67/158090067.db2.gz MYDDIRBGAMMBAF-SQNIBIBYSA-N 2 0 323.525 2.830 20 0 DFADRP Cc1ncsc1CC[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000246836787 158102182 /nfs/dbraw/zinc/10/21/82/158102182.db2.gz OMENHNSESDFHCT-HOCLYGCPSA-N 2 0 305.491 2.943 20 0 DFADRP CC(C)[NH+]1CCC(C(=O)N[C@@H](C)C[NH+]2C[C@H](C)C[C@@H](C)C2)CC1 ZINC000246835360 158102348 /nfs/dbraw/zinc/10/23/48/158102348.db2.gz DCEYZRXCPIUUSW-ZACQAIPSSA-N 2 0 323.525 2.589 20 0 DFADRP CC[N@@H+]1CC[C@@H]([NH2+]CCCc2ccc(OC)c(OC)c2)[C@@H](C)C1 ZINC000247174233 158122508 /nfs/dbraw/zinc/12/25/08/158122508.db2.gz UUAIYGPWSZESNC-DOTOQJQBSA-N 2 0 320.477 2.956 20 0 DFADRP CC(C)[C@H](C)[NH2+]Cc1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000247954106 158153961 /nfs/dbraw/zinc/15/39/61/158153961.db2.gz FIEJPSRNSGASSL-MAUKXSAKSA-N 2 0 317.477 2.518 20 0 DFADRP CC[N@@H+]1CC[C@@H]([NH2+]Cc2ccc(Cn3cccn3)cc2)[C@@H](C)C1 ZINC000248021154 158156989 /nfs/dbraw/zinc/15/69/89/158156989.db2.gz NRYAQPHBEFDOEI-QFBILLFUSA-N 2 0 312.461 2.751 20 0 DFADRP C[C@@H]1CCCC[N@@H+]1CCC1CC[NH+](C[C@@H](O)C(F)(F)F)CC1 ZINC000248389047 158170377 /nfs/dbraw/zinc/17/03/77/158170377.db2.gz FXSUCOZYZWFAEA-UKRRQHHQSA-N 2 0 322.415 2.886 20 0 DFADRP OCC1(C[NH2+][C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)CCC1 ZINC000248446499 158177404 /nfs/dbraw/zinc/17/74/04/158177404.db2.gz COZZQGNWKIMAEB-IPMKNSEASA-N 2 0 314.473 2.649 20 0 DFADRP O[C@H](CCc1ccccc1)C[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000248554889 158183685 /nfs/dbraw/zinc/18/36/85/158183685.db2.gz HUNBBFRCSNMKGC-WOJBJXKFSA-N 2 0 316.489 2.930 20 0 DFADRP C[NH+](C)CCOc1cnccc1C[NH2+][C@@H]1CCC[C@@H]1CCF ZINC000343934827 158223827 /nfs/dbraw/zinc/22/38/27/158223827.db2.gz OOTFLAQQWRMREK-GDBMZVCRSA-N 2 0 309.429 2.640 20 0 DFADRP C[C@@H]([NH2+]CCCc1nc2ccccc2n1C)[C@@H]1CCCOC1 ZINC000356853614 158315477 /nfs/dbraw/zinc/31/54/77/158315477.db2.gz SHTAMVSWRNGHTR-HUUCEWRRSA-N 2 0 301.434 2.911 20 0 DFADRP Cc1cccc(C[NH+]2CCN(CC[C@@H]3CCCC[N@H+]3C)CC2)c1 ZINC000356863912 158316558 /nfs/dbraw/zinc/31/65/58/158316558.db2.gz WDJKBZDXAXASBC-FQEVSTJZSA-N 2 0 315.505 2.987 20 0 DFADRP CCC[N@@H+]1CC[C@H](C[NH2+]C2CCN(CCC(F)(F)F)CC2)C1 ZINC000356871720 158317511 /nfs/dbraw/zinc/31/75/11/158317511.db2.gz OVVYGLYFZAAZIQ-CQSZACIVSA-N 2 0 321.431 2.725 20 0 DFADRP CC[C@H]1C[C@@H](C[NH+]2CCC(CC[NH+]3CCOCC3)CC2)CCO1 ZINC000356968604 158334849 /nfs/dbraw/zinc/33/48/49/158334849.db2.gz QFHHXTUMVAYONR-OALUTQOASA-N 2 0 324.509 2.626 20 0 DFADRP CC[C@@H]1C[C@H](C[N@@H+]2CC[C@@H](OCC[NH+](CC)CC)C2)CCO1 ZINC000357001442 158343547 /nfs/dbraw/zinc/34/35/47/158343547.db2.gz XSAUMFKGRRMBFA-KZNAEPCWSA-N 2 0 312.498 2.624 20 0 DFADRP CCC(C)(C)[NH2+][C@@H](C)C(=O)N1CC[NH+](C2CCC(C)CC2)CC1 ZINC000357034783 158353772 /nfs/dbraw/zinc/35/37/72/158353772.db2.gz HXBHHBVXEOKSAM-CGZBRXJRSA-N 2 0 323.525 2.876 20 0 DFADRP c1nn(-c2ccccc2)cc1C[NH+]1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000357042678 158355109 /nfs/dbraw/zinc/35/51/09/158355109.db2.gz FTUCHPJZJCQCBT-GOSISDBHSA-N 2 0 310.445 2.694 20 0 DFADRP c1c(C[NH+]2CCC([C@@H]3CC[NH2+]C3)CC2)[nH]nc1-c1ccccc1 ZINC000357052487 158356893 /nfs/dbraw/zinc/35/68/93/158356893.db2.gz NSKJHJNOVPYMAJ-QGZVFWFLSA-N 2 0 310.445 2.898 20 0 DFADRP C[C@@H]([NH2+]C[C@H](C)C[NH+](C)C)[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000496514180 300073750 /nfs/dbraw/zinc/07/37/50/300073750.db2.gz QNCQAYULRLBABF-RRFJBIMHSA-N 2 0 313.486 2.562 20 0 DFADRP CC[NH2+]CC1CC[NH+]([C@H](C)C(=O)N[C@@H]2CCC[C@H](C)[C@H]2C)CC1 ZINC000430570586 296795667 /nfs/dbraw/zinc/79/56/67/296795667.db2.gz ZDTYMTORZMQAMM-BVIKNXMNSA-N 2 0 323.525 2.637 20 0 DFADRP CC[NH2+]CC1CC[NH+]([C@@H](C)c2nc(-c3cccnc3)no2)CC1 ZINC000430572670 296796288 /nfs/dbraw/zinc/79/62/88/296796288.db2.gz GBFFVELNUIFJLF-ZDUSSCGKSA-N 2 0 315.421 2.514 20 0 DFADRP [NH3+]CC1CC[NH+](CCOc2ccc(C(F)(F)F)cc2)CC1 ZINC000430609147 296799874 /nfs/dbraw/zinc/79/98/74/296799874.db2.gz GYMOUNRJPCQMRM-UHFFFAOYSA-N 2 0 302.340 2.755 20 0 DFADRP CC[NH+](CC)CC1CCN(C(=O)C[C@H](C)C2CC[NH2+]CC2)CC1 ZINC000430688245 296804526 /nfs/dbraw/zinc/80/45/26/296804526.db2.gz VZZTZKKZQSFYRG-INIZCTEOSA-N 2 0 323.525 2.593 20 0 DFADRP CCC[C@H](NC(=O)C[NH+]1CCC([C@H](C)[NH3+])CC1)c1ccccc1 ZINC000430937322 296813599 /nfs/dbraw/zinc/81/35/99/296813599.db2.gz AWRQROFHACHWKP-YJBOKZPZSA-N 2 0 317.477 2.703 20 0 DFADRP COc1ccc(-c2cnc(C[NH+]3CCC([C@@H](C)[NH3+])CC3)o2)cc1 ZINC000430943528 296813966 /nfs/dbraw/zinc/81/39/66/296813966.db2.gz PIOFRDPGILHYCG-CYBMUJFWSA-N 2 0 315.417 2.909 20 0 DFADRP CCN(CC)C(=O)[C@@H](c1ccccc1)[NH+]1CCC([C@@H](C)[NH3+])CC1 ZINC000430952093 296814465 /nfs/dbraw/zinc/81/44/65/296814465.db2.gz XTISBFDCEULKHR-CRAIPNDOSA-N 2 0 317.477 2.655 20 0 DFADRP Cc1ccc(NC(=O)C[NH+]2CCC3(CC[NH2+]C3)CC2)cc1Cl ZINC000431041560 296819009 /nfs/dbraw/zinc/81/90/09/296819009.db2.gz WCPSPARLVUZMQY-UHFFFAOYSA-N 2 0 321.852 2.662 20 0 DFADRP C[C@@H](O)C[N@H+](C[C@H]1CCC[NH2+]C1)[C@H](C)Cc1ccc(Cl)cc1 ZINC000261886935 287084466 /nfs/dbraw/zinc/08/44/66/287084466.db2.gz XBFWXKYDNYCSQH-INMHGKMJSA-N 2 0 324.896 2.953 20 0 DFADRP CC(C)[C@@H](C(=O)Nc1nc(CN2CCCCC2)cs1)[NH+](C)C ZINC000129865577 196081757 /nfs/dbraw/zinc/08/17/57/196081757.db2.gz CTGIIHIPRMIUKD-AWEZNQCLSA-N 2 0 324.494 2.654 20 0 DFADRP C[C@H](C[NH2+][C@@H](C)c1ccc(OCC[NH+](C)C)cc1)N(C)C1CC1 ZINC000130728998 196104105 /nfs/dbraw/zinc/10/41/05/196104105.db2.gz YUAYXRVERHOGKT-CVEARBPZSA-N 2 0 319.493 2.760 20 0 DFADRP CC[NH+]1CCN(c2ccccc2C[N@@H+]2CCS[C@@H](C)C2)CC1 ZINC000131394627 196165144 /nfs/dbraw/zinc/16/51/44/196165144.db2.gz LHOJVRLODHRNAC-INIZCTEOSA-N 2 0 319.518 2.766 20 0 DFADRP CC[N@H+](CC(=O)NCC(C)(C)[NH2+][C@H](C)c1ccccc1)C1CC1 ZINC000132086040 196225046 /nfs/dbraw/zinc/22/50/46/196225046.db2.gz VSKHAUZHYPGRRK-OAHLLOKOSA-N 2 0 317.477 2.716 20 0 DFADRP C[C@@H](Cc1ccc(Br)cc1)[NH2+]C[C@H]1CCC[NH2+]C1 ZINC000132094208 196226076 /nfs/dbraw/zinc/22/60/76/196226076.db2.gz CFQPNFVOIAFCOI-JSGCOSHPSA-N 2 0 311.267 2.969 20 0 DFADRP C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)[C@H](C1CC1)[NH+]1CCCC1 ZINC000353659756 287266628 /nfs/dbraw/zinc/26/66/28/287266628.db2.gz QOUOZBUCFVLJKB-AEFFLSMTSA-N 2 0 321.509 2.632 20 0 DFADRP O[C@H](C[NH2+]C1CC[NH+](C2CCCC2)CC1)Cc1ccccc1 ZINC000132168903 196232738 /nfs/dbraw/zinc/23/27/38/196232738.db2.gz HCXQCRZAYDWNOV-IBGZPJMESA-N 2 0 302.462 2.587 20 0 DFADRP CC[C@@H]([NH2+]C[C@@H](C(C)C)N1CC[NH+](C)CC1)c1ccccc1 ZINC000132335891 196247259 /nfs/dbraw/zinc/24/72/59/196247259.db2.gz NBPJPLGWYYTPLZ-MOPGFXCFSA-N 2 0 303.494 2.999 20 0 DFADRP Cc1ccc([C@H](C)[NH2+]C[C@H](C(C)C)N2CC[NH+](C)CC2)cc1 ZINC000132321234 196245325 /nfs/dbraw/zinc/24/53/25/196245325.db2.gz RGNBBTUSZHZZEA-PKOBYXMFSA-N 2 0 303.494 2.918 20 0 DFADRP COc1ccccc1N1CC[C@@H](C[NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC000133261340 196325429 /nfs/dbraw/zinc/32/54/29/196325429.db2.gz RDXPZZADBCRWDS-YESZJQIVSA-N 2 0 317.477 2.594 20 0 DFADRP Cc1ccc(F)c(C[NH+]2CCC(C[NH+]3CCOCC3)CC2)c1 ZINC000134063872 196358180 /nfs/dbraw/zinc/35/81/80/196358180.db2.gz VHVMLVFTVLCJAO-UHFFFAOYSA-N 2 0 306.425 2.678 20 0 DFADRP C[C@@H]1CCCC[C@@H]1C[N@@H+]1CCN(C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000368051551 287283773 /nfs/dbraw/zinc/28/37/73/287283773.db2.gz NPRUBKIBVFYDCJ-KZNAEPCWSA-N 2 0 307.526 2.913 20 0 DFADRP C[C@@H]1CCCC[C@@H]1[NH2+]CC(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000246118473 287298034 /nfs/dbraw/zinc/29/80/34/287298034.db2.gz UTYVVQKTHSEEFR-BPQIPLTHSA-N 2 0 317.477 2.574 20 0 DFADRP CC(C)c1nc([C@H]2CCCN(Cc3cnc4n3CCC4)C2)no1 ZINC000667572146 543633995 /nfs/dbraw/zinc/63/39/95/543633995.db2.gz PETXWFBVKIBRFD-ZDUSSCGKSA-N 2 0 315.421 2.715 20 0 DFADRP Cc1ccc2cc(CN3CCC([N@@H+](C)C[C@@H](C)O)CC3)[nH]c2c1 ZINC000667611531 543641055 /nfs/dbraw/zinc/64/10/55/543641055.db2.gz RUPLCJNEFAVKKQ-OAHLLOKOSA-N 2 0 315.461 2.753 20 0 DFADRP c1nc2n(c1C[NH+]1CCC(C[NH+]3CCCCCC3)CC1)CCC2 ZINC000667502145 543619455 /nfs/dbraw/zinc/61/94/55/543619455.db2.gz WFDZVKMYXRLWHG-UHFFFAOYSA-N 2 0 316.493 2.917 20 0 DFADRP Cc1ncc(C[NH+]2CCC(C[NH+]3CCCCCC3)CC2)n1C ZINC000667502041 543619463 /nfs/dbraw/zinc/61/94/63/543619463.db2.gz RMHKRLCIKGTMRZ-UHFFFAOYSA-N 2 0 304.482 2.817 20 0 DFADRP Cn1ncc(C2CCC2)c1C[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000667502121 543619492 /nfs/dbraw/zinc/61/94/92/543619492.db2.gz URPWLHOJMSIEBQ-UHFFFAOYSA-N 2 0 316.493 2.995 20 0 DFADRP CC[N@@H+]1CC[C@H](N(C)Cc2c(C(F)(F)F)cnn2C)[C@H](C)C1 ZINC000667666086 543655060 /nfs/dbraw/zinc/65/50/60/543655060.db2.gz BXPHXPBNJCFXEG-YPMHNXCESA-N 2 0 318.387 2.601 20 0 DFADRP C[N@H+](CCCNC(=O)Nc1cccc(C[NH3+])c1)C1CCCCC1 ZINC000667732182 543669382 /nfs/dbraw/zinc/66/93/82/543669382.db2.gz FCZZWFQKGWSDSA-UHFFFAOYSA-N 2 0 318.465 2.921 20 0 DFADRP CC[NH2+]Cc1ccccc1NC(=O)N[C@H](CC)C[NH+]1CCCC1 ZINC000667778326 543676403 /nfs/dbraw/zinc/67/64/03/543676403.db2.gz IAUMYFNUOYHTNW-MRXNPFEDSA-N 2 0 318.465 2.792 20 0 DFADRP CCCN(CC[NH+](CC)CC)Cc1ccnn1-c1cc[nH+]cc1 ZINC000667991246 543719982 /nfs/dbraw/zinc/71/99/82/543719982.db2.gz JBXDWEOJXHZCIC-UHFFFAOYSA-N 2 0 315.465 2.821 20 0 DFADRP Cc1cccn2c(NC(=O)N(C)CCC[NH+]3CCCC3)cnc12 ZINC000667956420 543711173 /nfs/dbraw/zinc/71/11/73/543711173.db2.gz BOPLFYXHJYNLEB-UHFFFAOYSA-N 2 0 315.421 2.592 20 0 DFADRP Cc1ccc(CN(CCO)Cc2ccnn2-c2cc[nH+]cc2)cc1 ZINC000667967941 543714999 /nfs/dbraw/zinc/71/49/99/543714999.db2.gz AOOSHKDKXGPEIG-UHFFFAOYSA-N 2 0 322.412 2.570 20 0 DFADRP Cc1ncc(C[N@@H+](C[C@H](C)c2ccccc2)[C@@H](C)CO)n1C ZINC000668174807 543759249 /nfs/dbraw/zinc/75/92/49/543759249.db2.gz YZEZRFJYFJXYLP-GJZGRUSLSA-N 2 0 301.434 2.715 20 0 DFADRP C[C@@H]1[C@H]([NH2+][C@H]2CO[C@H](C3CC3)C2)CCN1Cc1ccccc1 ZINC000668174623 543759449 /nfs/dbraw/zinc/75/94/49/543759449.db2.gz SGQMZVRYEUHZKS-AXUOBQJMSA-N 2 0 300.446 2.807 20 0 DFADRP C[C@@]12CC[N@H+](Cc3ccnn3-c3cc[nH+]cc3)C[C@@H]1C2(F)F ZINC000668183539 543761875 /nfs/dbraw/zinc/76/18/75/543761875.db2.gz HNDXFKYUCHFQSP-LSDHHAIUSA-N 2 0 304.344 2.744 20 0 DFADRP CC(C)(C)N1CC[C@@H]([NH2+]C2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000668459624 543809876 /nfs/dbraw/zinc/80/98/76/543809876.db2.gz WWPDPNBUVUIMDX-MRXNPFEDSA-N 2 0 302.466 2.513 20 0 DFADRP c1cc(N2CC[NH+](C[C@@H]3CCC4(CCCC4)O3)CC2)cc[nH+]1 ZINC000669930963 544008499 /nfs/dbraw/zinc/00/84/99/544008499.db2.gz IOIJEHUREKONQL-KRWDZBQOSA-N 2 0 301.434 2.695 20 0 DFADRP CC[NH+]1CCN(c2ccc(C[NH2+]C[C@H](C)C(C)(C)C)cn2)CC1 ZINC000670266711 544031373 /nfs/dbraw/zinc/03/13/73/544031373.db2.gz URQAXSJTLHIVLN-INIZCTEOSA-N 2 0 318.509 2.995 20 0 DFADRP C[C@H](C[NH2+]Cc1cccnc1N1CC[NH+](C)CC1)C(C)(C)C ZINC000670267254 544031416 /nfs/dbraw/zinc/03/14/16/544031416.db2.gz XLDIBNHXJHYBES-OAHLLOKOSA-N 2 0 304.482 2.605 20 0 DFADRP C[NH+](C)CCOc1ccc(C[N@@H+]2CCC[C@H]2[C@H]2CCCO2)cc1 ZINC000671309026 544067027 /nfs/dbraw/zinc/06/70/27/544067027.db2.gz GDUPGUBRDSBKKK-RBUKOAKNSA-N 2 0 318.461 2.770 20 0 DFADRP OC(C[NH+]1CCC2(CCC2)CC1)C[NH+]1CCC2(CCC2)CC1 ZINC000671729905 544103552 /nfs/dbraw/zinc/10/35/52/544103552.db2.gz VWLPOUNXTGYEPN-UHFFFAOYSA-N 2 0 306.494 2.880 20 0 DFADRP C[N@@H+]1CC[C@H]([NH2+]CCN2CCCc3ccccc32)[C@@H]2CCC[C@H]21 ZINC000671743971 544105259 /nfs/dbraw/zinc/10/52/59/544105259.db2.gz KAVARJIRPOMHFU-CMKODMSKSA-N 2 0 313.489 2.902 20 0 DFADRP C[C@H]([NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccc2[nH]c(=O)oc2c1 ZINC000671741612 544105481 /nfs/dbraw/zinc/10/54/81/544105481.db2.gz ZSTGEUKHQZKPHW-FPMFFAJLSA-N 2 0 301.390 2.811 20 0 DFADRP CCO[C@@H](CC[NH+](C)C)C[NH2+][C@H](C)c1ccc2[nH]c(=O)oc2c1 ZINC000671750354 544106638 /nfs/dbraw/zinc/10/66/38/544106638.db2.gz SQJDRIMKCUPUQC-OCCSQVGLSA-N 2 0 321.421 2.541 20 0 DFADRP CC[NH+](CC)CCOCC[NH2+][C@H](C)c1ccc2[nH]c(=O)oc2c1 ZINC000671760566 544108096 /nfs/dbraw/zinc/10/80/96/544108096.db2.gz HYZGDRNXGACSBP-CYBMUJFWSA-N 2 0 321.421 2.542 20 0 DFADRP C[NH+](C)Cc1ccccc1NC(=O)CC[C@@H]1CCCC[N@@H+]1C ZINC000672741898 544149833 /nfs/dbraw/zinc/14/98/33/544149833.db2.gz LVXGJMUMFBAMAN-INIZCTEOSA-N 2 0 303.450 2.951 20 0 DFADRP C[NH+](C)C[C@H](NC1CC[NH+](C2CC2)CC1)c1ccc(F)cc1 ZINC000297345488 227041116 /nfs/dbraw/zinc/04/11/16/227041116.db2.gz FNAVSNBTTGOSNQ-SFHVURJKSA-N 2 0 305.441 2.645 20 0 DFADRP CC(C)[C@@H](CO)C[NH2+]Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000673610355 544186811 /nfs/dbraw/zinc/18/68/11/544186811.db2.gz BDCJDYXDGAQQRL-GOSISDBHSA-N 2 0 320.477 2.515 20 0 DFADRP C[NH+](C)CCOc1ccc(C[NH2+]C[C@@H]2CCCSC2)cc1 ZINC000673616144 544187059 /nfs/dbraw/zinc/18/70/59/544187059.db2.gz ARTBUHHVHUHCOV-INIZCTEOSA-N 2 0 308.491 2.860 20 0 DFADRP Cc1cc(C[NH+](C)C)cc(NC(=O)[C@H]2CC[NH2+][C@H]2C(C)C)c1 ZINC000290581128 221759464 /nfs/dbraw/zinc/75/94/64/221759464.db2.gz NUAUKQHNAIKVGM-IRXDYDNUSA-N 2 0 303.450 2.629 20 0 DFADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)[C@@H](C)C1CCCC1 ZINC000674087750 544219155 /nfs/dbraw/zinc/21/91/55/544219155.db2.gz AIUKIBXDWMCJSM-FUHWJXTLSA-N 2 0 323.525 2.687 20 0 DFADRP C[C@@H](Cc1ccncc1)[NH2+]Cc1ccc(OCC[NH+](C)C)cc1 ZINC000674089713 544219260 /nfs/dbraw/zinc/21/92/60/544219260.db2.gz ZRDSMDMLXSCUIL-INIZCTEOSA-N 2 0 313.445 2.743 20 0 DFADRP CC[C@@H]1C[N@@H+]2CCCC[C@H]2CN1C(=O)[C@H](C)[NH+]1CCCCCC1 ZINC000674351991 544234119 /nfs/dbraw/zinc/23/41/19/544234119.db2.gz GDDVCWWTNQCAME-KSZLIROESA-N 2 0 321.509 2.726 20 0 DFADRP C[NH+](C)CCOc1ccc(C[NH2+]CC2(CO)CCCCC2)cc1 ZINC000674375023 544237129 /nfs/dbraw/zinc/23/71/29/544237129.db2.gz BPEAJJKXHWHFPJ-UHFFFAOYSA-N 2 0 320.477 2.659 20 0 DFADRP C[N@@H+]1CCCC[C@H]1CC[NH+]1C[C@H]2CN(c3ccccc3)C[C@H]2C1 ZINC000675491114 544315442 /nfs/dbraw/zinc/31/54/42/544315442.db2.gz PEKDKQMKPCITOE-OTWHNJEPSA-N 2 0 313.489 2.929 20 0 DFADRP CCc1nc(C)c([C@@H](C)[NH2+]CCN2CC[N@H+](C)C(C)(C)C2)s1 ZINC000442864370 297208413 /nfs/dbraw/zinc/20/84/13/297208413.db2.gz CUKFLVSRLZSNQC-CYBMUJFWSA-N 2 0 324.538 2.691 20 0 DFADRP COc1ccc2c(c1)OCC[C@@H]2[NH2+][C@@H](C)C1CC[NH+](C)CC1 ZINC000675904205 544343253 /nfs/dbraw/zinc/34/32/53/544343253.db2.gz TVZRQRCXLKPTIU-GUYCJALGSA-N 2 0 304.434 2.839 20 0 DFADRP CCC[NH+]1CCC([NH2+][C@@H]2CCN(C(=O)C(C)C)C[C@@H]2CC)CC1 ZINC000675916092 544344062 /nfs/dbraw/zinc/34/40/62/544344062.db2.gz ARRWSVHRGXRAQK-FUHWJXTLSA-N 2 0 323.525 2.734 20 0 DFADRP CC[C@@H]1CN(C(=O)C(C)C)CC[C@H]1[NH2+][C@@H](C)C1CC[NH+](C)CC1 ZINC000675922452 544344431 /nfs/dbraw/zinc/34/44/31/544344431.db2.gz WGEAYVMWROWALI-LZLYRXPVSA-N 2 0 323.525 2.589 20 0 DFADRP CO[C@@H]1CCC[C@@H]([NH2+]Cc2ccc(OCC[NH+](C)C)cc2)C1 ZINC000676571143 544386183 /nfs/dbraw/zinc/38/61/83/544386183.db2.gz AMIGIJKMGUNWDU-SJLPKXTDSA-N 2 0 306.450 2.674 20 0 DFADRP CO[C@H]1CCC[C@H]([NH2+]Cc2ccc(OCC[NH+](C)C)cc2)C1 ZINC000676571144 544386223 /nfs/dbraw/zinc/38/62/23/544386223.db2.gz AMIGIJKMGUNWDU-WMZOPIPTSA-N 2 0 306.450 2.674 20 0 DFADRP COc1ccccc1OCCC[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000677242383 544457655 /nfs/dbraw/zinc/45/76/55/544457655.db2.gz ZMNZEIIKKAAOJE-HOTGVXAUSA-N 2 0 304.434 2.681 20 0 DFADRP [NH3+]CC[C@H]1CCC[N@H+](Cc2cc(O)ccc2Br)C1 ZINC000442918364 297211318 /nfs/dbraw/zinc/21/13/18/297211318.db2.gz GTGIBBDQVPBURU-LLVKDONJSA-N 2 0 313.239 2.716 20 0 DFADRP Cc1nccn1CCCC[N@H+]1CCCC[C@H]1c1cncn1C ZINC000678074562 544594625 /nfs/dbraw/zinc/59/46/25/544594625.db2.gz OATITXSIWGEJPX-INIZCTEOSA-N 2 0 301.438 2.932 20 0 DFADRP Cc1nccn1CCCC[N@H+]1CCC[C@H](c2cnn(C)c2)C1 ZINC000678074210 544594846 /nfs/dbraw/zinc/59/48/46/544594846.db2.gz CJAOXBYRGMLVME-INIZCTEOSA-N 2 0 301.438 2.585 20 0 DFADRP C[N@@H+]1CCC[C@H](N2CC[NH+](C[C@@H]3C[C@@H]3c3ccccc3)CC2)C1 ZINC000678259081 544635159 /nfs/dbraw/zinc/63/51/59/544635159.db2.gz YPYTUFNPRRRALY-SLFFLAALSA-N 2 0 313.489 2.502 20 0 DFADRP C[N@@H+]1CCC[C@@H](N2CC[NH+](Cc3ccccc3C3CC3)CC2)C1 ZINC000678258863 544635431 /nfs/dbraw/zinc/63/54/31/544635431.db2.gz PWXNAKORXWJBJF-LJQANCHMSA-N 2 0 313.489 2.776 20 0 DFADRP Cc1ccc([C@@H](C)[NH2+]CC2CC[NH+](CCN(C)C)CC2)c(C)n1 ZINC000678424127 544671022 /nfs/dbraw/zinc/67/10/22/544671022.db2.gz NVIDAHASRLLYJU-MRXNPFEDSA-N 2 0 318.509 2.623 20 0 DFADRP C[NH2+]CCC1CC[NH+](Cc2c[nH]nc2-c2ccc(C)o2)CC1 ZINC000435381911 296958920 /nfs/dbraw/zinc/95/89/20/296958920.db2.gz YPEFUHHGBLKOCT-UHFFFAOYSA-N 2 0 302.422 2.800 20 0 DFADRP CC[N@@H+]1CC[C@@H](N(C)Cc2cn3cccc(F)c3n2)C[C@@H]1C ZINC000678276596 544641016 /nfs/dbraw/zinc/64/10/16/544641016.db2.gz KEPUFUZVXRHKHN-DZGCQCFKSA-N 2 0 304.413 2.778 20 0 DFADRP CC[N@@H+]1CC[C@@H](N(C)Cc2nn(C)c3ccccc23)C[C@@H]1C ZINC000678276584 544641896 /nfs/dbraw/zinc/64/18/96/544641896.db2.gz JSTGGTLUUXCGNQ-LSDHHAIUSA-N 2 0 300.450 2.878 20 0 DFADRP Cc1cc(C[NH2+][C@H](C)c2cccc(OCC[NH+](C)C)c2)ncn1 ZINC000678604467 544701201 /nfs/dbraw/zinc/70/12/01/544701201.db2.gz GFIRSEQTFHGCOY-OAHLLOKOSA-N 2 0 314.433 2.576 20 0 DFADRP CC[NH+]1CCN([C@H](C)C[NH2+][C@H]2c3ccccc3CC[C@@H]2C)CC1 ZINC000678766084 544716882 /nfs/dbraw/zinc/71/68/82/544716882.db2.gz KVJSCOXQIMAHOS-SQGPQFPESA-N 2 0 315.505 2.926 20 0 DFADRP CCc1nc2ccccc2n1CC[NH2+][C@H]1CC[N@@H+](CC)C[C@H]1C ZINC000679022444 544769980 /nfs/dbraw/zinc/76/99/80/544769980.db2.gz MVTKRBWESHRQPT-CVEARBPZSA-N 2 0 314.477 2.919 20 0 DFADRP C[C@H]1C[C@@H](Nc2cccc(OCCC[NH+](C)C)c2)CC[N@@H+]1C ZINC000679147972 544792406 /nfs/dbraw/zinc/79/24/06/544792406.db2.gz MMZVPHDLNSDIGL-RDJZCZTQSA-N 2 0 305.466 2.912 20 0 DFADRP C[C@@H](c1ccncc1)[NH+]1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000679537594 544867627 /nfs/dbraw/zinc/86/76/27/544867627.db2.gz VXJOHEWAPWEWJA-KRWDZBQOSA-N 2 0 317.477 2.967 20 0 DFADRP C[C@@H]([NH2+]CCc1cc(F)c(F)c(F)c1)C1CC[NH+](C)CC1 ZINC000679575733 544880093 /nfs/dbraw/zinc/88/00/93/544880093.db2.gz QWHJBHQZSLSLMJ-LLVKDONJSA-N 2 0 300.368 2.966 20 0 DFADRP COCC[N@H+](Cc1cn(-c2cc[nH+]cc2)nc1C)C1CCCC1 ZINC000680326337 544989844 /nfs/dbraw/zinc/98/98/44/544989844.db2.gz AGRXUKYFTDEHCW-UHFFFAOYSA-N 2 0 314.433 2.967 20 0 DFADRP COc1ccc2c(c1)CC[C@@H]([NH2+][C@H](C)C1CC[NH+](C)CC1)C2 ZINC000680351982 544996065 /nfs/dbraw/zinc/99/60/65/544996065.db2.gz IMUHCODBBVUKPD-RDTXWAMCSA-N 2 0 302.462 2.872 20 0 DFADRP CC[N@@H+]1CC[C@H]([NH2+][C@@H]2CCc3cc(OC)ccc3C2)[C@@H](C)C1 ZINC000680352651 544996333 /nfs/dbraw/zinc/99/63/33/544996333.db2.gz OKSSEMZTLHFRED-YJLNNSPDSA-N 2 0 302.462 2.872 20 0 DFADRP CC[N@@H+]1CC[C@H]([NH2+][C@H]2CCc3cc(OC)ccc3C2)[C@H](C)C1 ZINC000680352650 544996438 /nfs/dbraw/zinc/99/64/38/544996438.db2.gz OKSSEMZTLHFRED-LJHODMEESA-N 2 0 302.462 2.872 20 0 DFADRP C[NH+](C)[C@@H](CNc1cc[nH+]cc1C(N)=O)c1ccc(Cl)cc1 ZINC000302176125 230141902 /nfs/dbraw/zinc/14/19/02/230141902.db2.gz WLVXPFKLCZDBIC-HNNXBMFYSA-N 2 0 318.808 2.549 20 0 DFADRP c1n[nH]cc1C[NH2+][C@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000680146656 544963550 /nfs/dbraw/zinc/96/35/50/544963550.db2.gz ZWIYIHGCOIZXKA-OTWHNJEPSA-N 2 0 310.445 2.800 20 0 DFADRP CCC[NH+](CCC)CCCC(=O)Nc1cc(N(C)C)cc[nH+]1 ZINC000680260072 544980855 /nfs/dbraw/zinc/98/08/55/544980855.db2.gz NJAFXKQQOBSMJW-UHFFFAOYSA-N 2 0 306.454 2.988 20 0 DFADRP c1ccc(COCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC000680375201 545001075 /nfs/dbraw/zinc/00/10/75/545001075.db2.gz NIYCIFZZEIGNPR-UHFFFAOYSA-N 2 0 311.429 2.811 20 0 DFADRP Cc1cccc2c1[nH+]cc(C)c2N1CC[N@H+](CCO)C(C)(C)C1 ZINC000302550337 230293170 /nfs/dbraw/zinc/29/31/70/230293170.db2.gz QDIHEUZZBQYFID-UHFFFAOYSA-N 2 0 313.445 2.745 20 0 DFADRP Cc1cc(N(C)C2CC[NH+](CCc3ccccn3)CC2)cc[nH+]1 ZINC000302656356 230335233 /nfs/dbraw/zinc/33/52/33/230335233.db2.gz ACRXTZFYWBKLSD-UHFFFAOYSA-N 2 0 310.445 2.928 20 0 DFADRP C[NH+](C)CCC1CC[NH+](CCC(=O)Nc2ccccc2F)CC1 ZINC000056522141 425895333 /nfs/dbraw/zinc/89/53/33/425895333.db2.gz FNLPFWQKZVTONN-UHFFFAOYSA-N 2 0 321.440 2.818 20 0 DFADRP Cc1ccc(NC(=O)C[NH+]2CCC(CC[NH+](C)C)CC2)c(C)c1 ZINC000056522384 425895413 /nfs/dbraw/zinc/89/54/13/425895413.db2.gz RVFLBRQYZIQZAO-UHFFFAOYSA-N 2 0 317.477 2.906 20 0 DFADRP C[NH+](C)CCC1CC[NH+](CCC(=O)Nc2ccc(F)cc2)CC1 ZINC000056522287 425895534 /nfs/dbraw/zinc/89/55/34/425895534.db2.gz FFRROQMXLDGXTD-UHFFFAOYSA-N 2 0 321.440 2.818 20 0 DFADRP CCCC[N@H+](C)CC1CC[NH+]([C@@H](C)C(=O)N(CC)CC)CC1 ZINC000066960708 425907859 /nfs/dbraw/zinc/90/78/59/425907859.db2.gz VXOSFGYFOJUBRW-INIZCTEOSA-N 2 0 311.514 2.687 20 0 DFADRP CC[NH+]1CCN([C@H](C)C[NH2+][C@H]2CCSc3ccccc32)CC1 ZINC000155607553 425921359 /nfs/dbraw/zinc/92/13/59/425921359.db2.gz XZFRAKGKDARLQQ-WBVHZDCISA-N 2 0 319.518 2.839 20 0 DFADRP CCc1ccc([C@@H](C)[NH2+]C[C@H](C)N2CC[NH+](CC)CC2)s1 ZINC000155744531 425926848 /nfs/dbraw/zinc/92/68/48/425926848.db2.gz IFNDULTZXJPDMT-LSDHHAIUSA-N 2 0 309.523 2.987 20 0 DFADRP Cc1nc2ccccc2n1CCC[NH2+][C@H]1CC[N@@H+](C)C[C@@H]1C ZINC000155870341 425928834 /nfs/dbraw/zinc/92/88/34/425928834.db2.gz NWEKVRZABXKYLZ-HOCLYGCPSA-N 2 0 300.450 2.665 20 0 DFADRP C[C@H](c1ccc(-n2cncn2)cc1)[N@H+](C)CC[C@@H]1CCC[NH+]1C ZINC000124730435 425935228 /nfs/dbraw/zinc/93/52/28/425935228.db2.gz AXWUEFVYPVULAQ-WBVHZDCISA-N 2 0 313.449 2.744 20 0 DFADRP Cc1ccc(F)cc1C[NH2+]C(C)(C)CCN1CC[NH+](C)CC1 ZINC000185887995 267803945 /nfs/dbraw/zinc/80/39/45/267803945.db2.gz QYAUSHDZPQANIG-UHFFFAOYSA-N 2 0 307.457 2.640 20 0 DFADRP Cc1cc(C[NH2+][C@H](C)CCN2CC[NH+](C)CC2)ccc1Cl ZINC000185871277 267804469 /nfs/dbraw/zinc/80/44/69/267804469.db2.gz UEFRZBFGNJFJHV-OAHLLOKOSA-N 2 0 309.885 2.764 20 0 DFADRP C[C@H]([NH2+]CCCC[NH3+])c1ccc(I)cc1 ZINC000037715436 425848900 /nfs/dbraw/zinc/84/89/00/425848900.db2.gz OSCBGPLHESBIHO-JTQLQIEISA-N 2 0 318.202 2.681 20 0 DFADRP CCN1CC[NH+](CCCC[NH2+][C@@H]2CCCc3occc32)CC1 ZINC000192666113 268044732 /nfs/dbraw/zinc/04/47/32/268044732.db2.gz IVTVORKWAHWPHQ-QGZVFWFLSA-N 2 0 305.466 2.664 20 0 DFADRP CC(C)[NH+]1CCN(CCC[NH+]2CCC(C(F)(F)F)CC2)CC1 ZINC000192748721 268047268 /nfs/dbraw/zinc/04/72/68/268047268.db2.gz HIHPSQVPMVWZAQ-UHFFFAOYSA-N 2 0 321.431 2.677 20 0 DFADRP CCSCC[C@@H](C)[N@H+](C)CCCN1CC[NH+](C(C)C)CC1 ZINC000192771555 268048428 /nfs/dbraw/zinc/04/84/28/268048428.db2.gz HFNJLQHHOUROOD-QGZVFWFLSA-N 2 0 315.571 2.866 20 0 DFADRP CC[C@@H]([NH2+]CCCN1CC[NH+](C(C)C)CC1)c1nccs1 ZINC000192795722 268049894 /nfs/dbraw/zinc/04/98/94/268049894.db2.gz KBDWJXIPZUCREX-OAHLLOKOSA-N 2 0 310.511 2.600 20 0 DFADRP COC(=O)[C@H]1CC[C@@H]([NH2+][C@@H]2CCCN(Cc3ccccc3)C2)C1 ZINC000193874279 268082585 /nfs/dbraw/zinc/08/25/85/268082585.db2.gz ZEAWCRWHHUXERX-RCCFBDPRSA-N 2 0 316.445 2.582 20 0 DFADRP CCC[NH+]1CCC([NH2+]CC[C@H](C)NC(=O)OC(C)(C)C)CC1 ZINC000223812153 268142052 /nfs/dbraw/zinc/14/20/52/268142052.db2.gz QMKLWWMITLYZPC-AWEZNQCLSA-N 2 0 313.486 2.754 20 0 DFADRP CCCC[NH+]1CCC(NC(=O)[C@@H]2CCCCCC[C@H]2[NH3+])CC1 ZINC000236758157 268150526 /nfs/dbraw/zinc/15/05/26/268150526.db2.gz UITVZAULTHPFFV-IAGOWNOFSA-N 2 0 309.498 2.665 20 0 DFADRP CC[C@@H](C)[C@H]([NH3+])C(=O)NC[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000236943039 268152546 /nfs/dbraw/zinc/15/25/46/268152546.db2.gz KGINKHUPNQRKQA-NXHRZFHOSA-N 2 0 317.477 2.531 20 0 DFADRP C[NH+](C)Cc1cccc(NC(=O)[C@H]2CCCCCC[C@H]2[NH3+])c1 ZINC000237060565 268154159 /nfs/dbraw/zinc/15/41/59/268154159.db2.gz FQIKOSSGGUSLQO-DLBZAZTESA-N 2 0 303.450 2.984 20 0 DFADRP [NH3+]C1CCC([NH2+]CCc2cc(Br)ccc2F)CC1 ZINC000258806586 268168906 /nfs/dbraw/zinc/16/89/06/268168906.db2.gz NUPMXPLNXCJWIL-UHFFFAOYSA-N 2 0 315.230 2.990 20 0 DFADRP C[C@@H]1C[C@@H]([NH2+]CCc2nc(-c3ccncc3)cs2)CC[N@@H+]1C ZINC000271520302 268249739 /nfs/dbraw/zinc/24/97/39/268249739.db2.gz QDGHUNVNTCRRRE-HIFRSBDPSA-N 2 0 316.474 2.820 20 0 DFADRP C[C@H](c1ccc2c(c1)OCCCO2)[N@@H+]1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000319417866 268346121 /nfs/dbraw/zinc/34/61/21/268346121.db2.gz HJTPEZRRELLELH-HBUWYVDXSA-N 2 0 304.434 2.826 20 0 DFADRP C[C@H]([NH2+]C1CCC(C(N)=O)CC1)c1ccc(-n2ccnc2)cc1 ZINC000319995793 268347309 /nfs/dbraw/zinc/34/73/09/268347309.db2.gz KWZPAWAHKLZJTF-JEYLPNPQSA-N 2 0 312.417 2.567 20 0 DFADRP C[C@H]1C[C@H](C[N@@H+]2CCCN(Cc3ccccc3)CC2)CC[NH2+]1 ZINC000323764755 268350280 /nfs/dbraw/zinc/35/02/80/268350280.db2.gz XBJLYDWDPCLYJV-PKOBYXMFSA-N 2 0 301.478 2.582 20 0 DFADRP CC(C)[C@@H](C[NH2+][C@@H]1CCCC12CCCC2)N1CC[NH+](C)CC1 ZINC000328143840 268351350 /nfs/dbraw/zinc/35/13/50/268351350.db2.gz CMODZLDSWNGFAX-QZTJIDSGSA-N 2 0 307.526 2.961 20 0 DFADRP C[C@@H]1C[C@@H](C[N@@H+]2CCC[C@@H](c3noc(C4CC4)n3)C2)CC[NH2+]1 ZINC000333187873 268380959 /nfs/dbraw/zinc/38/09/59/268380959.db2.gz UECNHGZSKCIIBF-VNHYZAJKSA-N 2 0 304.438 2.515 20 0 DFADRP C[C@H]1C[C@H]([NH2+][C@@H]2CCCN(c3cccc(F)c3)C2)CCN1C ZINC000125587649 425980427 /nfs/dbraw/zinc/98/04/27/425980427.db2.gz YCWQHKXCWDZYQX-USXIJHARSA-N 2 0 305.441 2.867 20 0 DFADRP COc1cc2c(cc1F)[nH+]ccc2N1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000333884408 268420451 /nfs/dbraw/zinc/42/04/51/268420451.db2.gz FLIKRYWWGYVFKG-JKOKRWQUSA-N 2 0 301.365 2.556 20 0 DFADRP CCC[C@H](CC)[NH2+]Cc1ccc(C(=O)NCC[NH+](C)C)cc1 ZINC000125908838 425995991 /nfs/dbraw/zinc/99/59/91/425995991.db2.gz RPXJHKANKRKUMJ-KRWDZBQOSA-N 2 0 305.466 2.646 20 0 DFADRP CCCCNC(=O)[C@H]1CC[C@H](C)[N@H+](CCC[NH+]2CCCCC2)C1 ZINC000125005610 425949567 /nfs/dbraw/zinc/94/95/67/425949567.db2.gz UGLVYIRWNYVDOH-ROUUACIJSA-N 2 0 323.525 2.879 20 0 DFADRP CC(C)NC(=O)CC[NH+]1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000158896147 425949638 /nfs/dbraw/zinc/94/96/38/425949638.db2.gz FGHIHSWBVNNGBY-QGZVFWFLSA-N 2 0 323.525 2.878 20 0 DFADRP C[C@H]1CCCC[N@@H+]1CCC1CC[NH+](CC[C@@H]2CCOC2=O)CC1 ZINC000158976364 425950852 /nfs/dbraw/zinc/95/08/52/425950852.db2.gz YDTPKDKEJARDJA-FUHWJXTLSA-N 2 0 322.493 2.916 20 0 DFADRP CC[N@@H+]1CC[C@H]([NH2+]CCCOCCc2ccccc2)[C@H](C)C1 ZINC000125301826 425964275 /nfs/dbraw/zinc/96/42/75/425964275.db2.gz FRCYEXGQSSQNTE-MJGOQNOKSA-N 2 0 304.478 2.956 20 0 DFADRP C[C@](O)(C[NH+]1CCC(CCC[NH+]2CCCC2)CC1)C(F)(F)F ZINC000337172836 268466667 /nfs/dbraw/zinc/46/66/67/268466667.db2.gz FXJNZMCJWUZGRQ-HNNXBMFYSA-N 2 0 322.415 2.888 20 0 DFADRP Cc1ccc(NC(=O)C[N@@H+]2CCC[C@H](CC[NH3+])C2)cc1Cl ZINC000070171120 425968857 /nfs/dbraw/zinc/96/88/57/425968857.db2.gz QWMQBVZHBXYETF-CYBMUJFWSA-N 2 0 309.841 2.648 20 0 DFADRP [NH3+]CC[C@@H]1CCCC[N@@H+]1CCC(=O)Nc1cccc(Cl)c1 ZINC000070149956 425968884 /nfs/dbraw/zinc/96/88/84/425968884.db2.gz HVMZLJOPKCNXQH-HNNXBMFYSA-N 2 0 309.841 2.872 20 0 DFADRP [NH3+]CC[C@@H]1CCCC[N@@H+]1CCC(=O)Nc1ccccc1Cl ZINC000070149708 425968966 /nfs/dbraw/zinc/96/89/66/425968966.db2.gz IDLWCLNHZQLDQP-ZDUSSCGKSA-N 2 0 309.841 2.872 20 0 DFADRP C[C@H]([NH2+]CCC1CC[NH+](C)CC1)c1ccc([S@](C)=O)cc1 ZINC000125403055 425969516 /nfs/dbraw/zinc/96/95/16/425969516.db2.gz NCNMSBJTUAOUNJ-LHSJRXKWSA-N 2 0 308.491 2.807 20 0 DFADRP CC[C@@H](C)[C@@H](C)[NH2+]Cc1ccc(CN2CC[NH+](C)CC2)cc1 ZINC000126654460 426029577 /nfs/dbraw/zinc/02/95/77/426029577.db2.gz FVRGPQHLKHCLSC-IAGOWNOFSA-N 2 0 303.494 2.958 20 0 DFADRP CCC[C@H](C(=O)NCC[C@@H](C)[N@H+](C)Cc1ccccc1)[NH+](C)C ZINC000126862990 426039703 /nfs/dbraw/zinc/03/97/03/426039703.db2.gz XZNVIYLWOIYTDO-SJLPKXTDSA-N 2 0 319.493 2.744 20 0 DFADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1NCc1ccc2c(c1)OCCCO2 ZINC000161872599 426042436 /nfs/dbraw/zinc/04/24/36/426042436.db2.gz QAMNNOVQIGJWBA-YCPHGPKFSA-N 2 0 304.434 2.666 20 0 DFADRP CC(=O)NC1CCC([NH2+][C@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)CC1 ZINC000161857468 426042978 /nfs/dbraw/zinc/04/29/78/426042978.db2.gz HNXSGCRFZLOQMR-SEEUUAMPSA-N 2 0 321.509 2.676 20 0 DFADRP Cc1nccn1CCC[NH+]1CCN(c2cc(F)ccc2F)CC1 ZINC000127394691 426064583 /nfs/dbraw/zinc/06/45/83/426064583.db2.gz CXJBQZPMOVKTQX-UHFFFAOYSA-N 2 0 320.387 2.682 20 0 DFADRP C[NH+]1CCN(CCC[NH2+][C@@H]2CC(C)(C)Cc3occc32)CC1 ZINC000162508773 426067862 /nfs/dbraw/zinc/06/78/62/426067862.db2.gz HXYZUFINVHAEDX-MRXNPFEDSA-N 2 0 305.466 2.520 20 0 DFADRP CC[C@H]([NH2+]CCCN1CC[NH+](C)CC1)c1ccc(F)cc1F ZINC000162532211 426068503 /nfs/dbraw/zinc/06/85/03/426068503.db2.gz WTBNPLMXNJHHEM-KRWDZBQOSA-N 2 0 311.420 2.643 20 0 DFADRP Cc1cccc(C[C@H]([NH2+]CCCN2CC[NH+](C)CC2)C2CC2)c1 ZINC000162574646 426069943 /nfs/dbraw/zinc/06/99/43/426069943.db2.gz SLYZOYAVFGRFJD-FQEVSTJZSA-N 2 0 315.505 2.543 20 0 DFADRP Cc1cccc(C[C@@H]([NH2+]CCCN2CC[NH+](C)CC2)C2CC2)c1 ZINC000162574776 426070171 /nfs/dbraw/zinc/07/01/71/426070171.db2.gz SLYZOYAVFGRFJD-HXUWFJFHSA-N 2 0 315.505 2.543 20 0 DFADRP CCCc1cc(N2C[C@H]3OCC[N@H+](C)[C@H]3C2)c2ccccc2[nH+]1 ZINC000126228498 426011430 /nfs/dbraw/zinc/01/14/30/426011430.db2.gz UGURNIXEJBGQLG-RBUKOAKNSA-N 2 0 311.429 2.707 20 0 DFADRP COc1cccc([C@@H](C)[N@H+](C)CCN(C)C2CC[NH+](C)CC2)c1 ZINC000126469195 426020366 /nfs/dbraw/zinc/02/03/66/426020366.db2.gz PGWVRBZEQNNHRF-MRXNPFEDSA-N 2 0 319.493 2.714 20 0 DFADRP C[N@@H+](CCC(=O)Nc1cccc(F)c1)CC[C@@H]1CCCC[NH+]1C ZINC000075859932 426088523 /nfs/dbraw/zinc/08/85/23/426088523.db2.gz APHXSJGVZWJPDE-KRWDZBQOSA-N 2 0 321.440 2.961 20 0 DFADRP C[C@H]1CCC[C@H]([NH+]2CCC([NH2+]CCc3cnn(C)c3)CC2)C1 ZINC000127858145 426090300 /nfs/dbraw/zinc/09/03/00/426090300.db2.gz PCRVICWZHWGNEA-YJBOKZPZSA-N 2 0 304.482 2.595 20 0 DFADRP C[C@H]1CCCC[C@H]1[NH+]1CCC([NH2+]CCc2cnn(C)c2)CC1 ZINC000127932361 426093507 /nfs/dbraw/zinc/09/35/07/426093507.db2.gz RIXXJNZZBGCDJK-MAUKXSAKSA-N 2 0 304.482 2.595 20 0 DFADRP CC[N@@H+]1CC[C@@H](C[NH2+][C@@H](C)c2ccc(N3CCOC3=O)cc2)C1 ZINC000163228783 426093623 /nfs/dbraw/zinc/09/36/23/426093623.db2.gz CRHSPTZXUMDRRK-GJZGRUSLSA-N 2 0 317.433 2.636 20 0 DFADRP CC[N@@H+]1CC[C@@H](C[NH2+][C@@H](C)c2ccc3c(c2)C(C)(C)C(=O)N3)C1 ZINC000163234834 426094326 /nfs/dbraw/zinc/09/43/26/426094326.db2.gz WCGFCDCZVMAXAB-KBPBESRZSA-N 2 0 315.461 2.909 20 0 DFADRP Cc1cccc(NC[C@@H]2CC[NH+](CC[C@@H]3CCC[N@H+]3C)C2)n1 ZINC000163461653 426100990 /nfs/dbraw/zinc/10/09/90/426100990.db2.gz AXDYKRBAGZXKHG-IRXDYDNUSA-N 2 0 302.466 2.608 20 0 DFADRP CC(C)[N@H+](C)Cc1ccccc1CNC(=O)CC1CC[NH2+]CC1 ZINC000164606929 426114974 /nfs/dbraw/zinc/11/49/74/426114974.db2.gz VITOJGHDSVVEPG-UHFFFAOYSA-N 2 0 317.477 2.533 20 0 DFADRP C[C@H](C[NH2+][C@@H](C)c1ccc(-n2cncn2)cc1)C[NH+]1CCCC1 ZINC000165334616 426121682 /nfs/dbraw/zinc/12/16/82/426121682.db2.gz AAMNFSJJSVUFTK-CVEARBPZSA-N 2 0 313.449 2.650 20 0 DFADRP COC[C@@H]([NH2+]C[C@H]1CC[N@H+](CCc2ccccc2)C1)C(C)C ZINC000165329803 426122201 /nfs/dbraw/zinc/12/22/01/426122201.db2.gz IDLCDQKPUQEHLV-RTBURBONSA-N 2 0 304.478 2.812 20 0 DFADRP C[C@@H]([NH2+]C[C@@H]1CC[N@H+](CCc2ccccc2)C1)[C@@H]1CCOC1 ZINC000165298893 426122440 /nfs/dbraw/zinc/12/24/40/426122440.db2.gz NADBBPJWJOTMEA-NZSAHSFTSA-N 2 0 302.462 2.566 20 0 DFADRP CC[NH+](CC)CC(=O)Nc1cc(C[NH+]2CCCC2)ccc1C ZINC000128578034 426123868 /nfs/dbraw/zinc/12/38/68/426123868.db2.gz ZSNFKFOCZTVWKH-UHFFFAOYSA-N 2 0 303.450 2.871 20 0 DFADRP CC[C@H]([NH2+]CCCN1CCC[N@H+](C)CC1)c1ccc(F)cc1 ZINC000128570223 426123904 /nfs/dbraw/zinc/12/39/04/426123904.db2.gz TWSXYLILALGJLT-SFHVURJKSA-N 2 0 307.457 2.894 20 0 DFADRP CC(C)[N@@H+]1CCC[C@H](CNC(=O)[C@@H](C)[C@H]([NH3+])c2ccccc2)C1 ZINC000166352383 426126721 /nfs/dbraw/zinc/12/67/21/426126721.db2.gz PJKHYMALLWUQMU-JZXOWHBKSA-N 2 0 317.477 2.559 20 0 DFADRP CC[C@@H]([NH2+]C[C@@H](C)N1CC[NH+](C)CC1)c1ccc(F)cc1F ZINC000127590610 426075184 /nfs/dbraw/zinc/07/51/84/426075184.db2.gz VJMYPYHWSLOCNF-CXAGYDPISA-N 2 0 311.420 2.641 20 0 DFADRP CC[NH+]1CCN(CCC[NH2+]C[C@@H](C)c2ccc(F)cc2)CC1 ZINC000127589048 426075594 /nfs/dbraw/zinc/07/55/94/426075594.db2.gz DNLQQMOECBIENY-MRXNPFEDSA-N 2 0 307.457 2.546 20 0 DFADRP C[N@@H+]1CCC[C@H]2C[NH+](CCC(=O)Nc3cccc(F)c3)CC[C@@H]21 ZINC000162795484 426077810 /nfs/dbraw/zinc/07/78/10/426077810.db2.gz RRVAVARMMSPTAP-YOEHRIQHSA-N 2 0 319.424 2.570 20 0 DFADRP C[N@@H+]1CCC[C@H]2C[NH+](CCC(=O)Nc3ccccc3F)CC[C@@H]21 ZINC000162789877 426077866 /nfs/dbraw/zinc/07/78/66/426077866.db2.gz JRWMIQPWMJTTRD-YOEHRIQHSA-N 2 0 319.424 2.570 20 0 DFADRP CN(C(=O)CC[NH+]1CCC(CC[NH+](C)C)CC1)c1ccccc1 ZINC000135001036 426203466 /nfs/dbraw/zinc/20/34/66/426203466.db2.gz IPYIVXSIFRWWAN-UHFFFAOYSA-N 2 0 317.477 2.703 20 0 DFADRP CCN(C)C(=O)CC[N@H+](C)C1CC[NH+](C2CCC(C)CC2)CC1 ZINC000130289094 426154016 /nfs/dbraw/zinc/15/40/16/426154016.db2.gz AWPDSGABPXTUPM-UHFFFAOYSA-N 2 0 323.525 2.830 20 0 DFADRP CC[N@H+](Cc1ccc(C(=O)N2CCC[C@H]([NH2+]C)C2)cc1)C(C)C ZINC000133573086 426182036 /nfs/dbraw/zinc/18/20/36/426182036.db2.gz QKOJXUKMVADREA-SFHVURJKSA-N 2 0 317.477 2.741 20 0 DFADRP CC[NH+](CC)[C@H](CNC(=O)[C@]1(CC)CCC[NH2+]1)c1ccsc1 ZINC000134568196 426188569 /nfs/dbraw/zinc/18/85/69/426188569.db2.gz IBQOUXGHVSLDOX-WBVHZDCISA-N 2 0 323.506 2.779 20 0 DFADRP CC[C@]1(C(=O)NCC(C)(C)[NH2+][C@@H](C)c2ccccc2)CCC[NH2+]1 ZINC000134595319 426189468 /nfs/dbraw/zinc/18/94/68/426189468.db2.gz FLWXGMCIKIHNQI-HNAYVOBHSA-N 2 0 317.477 2.764 20 0 DFADRP CC[C@@]1(C(=O)NCC(C)(C)[NH2+][C@@H](C)c2ccccc2)CCC[NH2+]1 ZINC000134595335 426190015 /nfs/dbraw/zinc/19/00/15/426190015.db2.gz FLWXGMCIKIHNQI-KXBFYZLASA-N 2 0 317.477 2.764 20 0 DFADRP C[C@H](O)C[NH+]1CCC(C[N@H+](C)[C@@H](C)c2ccc(F)cc2)CC1 ZINC000171588488 426197569 /nfs/dbraw/zinc/19/75/69/426197569.db2.gz VAYDGHIINLCEJS-GJZGRUSLSA-N 2 0 308.441 2.911 20 0 DFADRP C[C@@](O)(C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1)c1ccccc1 ZINC000134879215 426197847 /nfs/dbraw/zinc/19/78/47/426197847.db2.gz QLKMOZRRWDZCJN-NSISKUIASA-N 2 0 314.473 2.843 20 0 DFADRP O[C@@H](C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1)c1ccccc1 ZINC000134899878 426199744 /nfs/dbraw/zinc/19/97/44/426199744.db2.gz LVKRIKHFMKWDBV-QRQLOZEOSA-N 2 0 300.446 2.669 20 0 DFADRP CCC[N@H+](C)C[C@H]1CC[NH+](CCC(=O)NCC2CCCCC2)C1 ZINC000081572265 426224504 /nfs/dbraw/zinc/22/45/04/426224504.db2.gz RAWCUXQFOXNSTH-GOSISDBHSA-N 2 0 323.525 2.737 20 0 DFADRP COc1c(C)cnc(C[N@@H+]2CC[C@@H](C)[C@H](n3ccnc3)C2)c1C ZINC000136083365 426234582 /nfs/dbraw/zinc/23/45/82/426234582.db2.gz DZZCGLXFNMHKNJ-CXAGYDPISA-N 2 0 314.433 2.987 20 0 DFADRP CC[NH+]1CCN([C@H]2CC[N@@H+]([C@@H](C)c3cccc(C)c3)C2)CC1 ZINC000173709038 426246209 /nfs/dbraw/zinc/24/62/09/426246209.db2.gz CYRJOLLXVBUXHK-HKUYNNGSSA-N 2 0 301.478 2.768 20 0 DFADRP C[C@@H]1C[C@@H](NC[C@@H]2CCC[NH+]2Cc2ccccc2)CC[N@@H+]1C ZINC000119101538 426262250 /nfs/dbraw/zinc/26/22/50/426262250.db2.gz XVZXXVMGTVPMBD-NEWSRXKRSA-N 2 0 301.478 2.723 20 0 DFADRP C[C@@H]1C[C@H](NC[C@@H]2CCC[NH+]2Cc2ccccc2)CC[N@@H+]1C ZINC000119101341 426262716 /nfs/dbraw/zinc/26/27/16/426262716.db2.gz XVZXXVMGTVPMBD-QRQLOZEOSA-N 2 0 301.478 2.723 20 0 DFADRP Cc1cccc([C@@H](C)[NH2+]C2CCN(CC[NH+](C)C)CC2)c1C ZINC000150955440 426269615 /nfs/dbraw/zinc/26/96/15/426269615.db2.gz BEUVTZVSLSJVNI-QGZVFWFLSA-N 2 0 303.494 2.980 20 0 DFADRP C[C@@H](NC(=O)Nc1cccc(C[NH+](C)C)c1)C(C)(C)C[NH+](C)C ZINC000119268775 426273370 /nfs/dbraw/zinc/27/33/70/426273370.db2.gz CVYKULADLXWTNB-CQSZACIVSA-N 2 0 320.481 2.846 20 0 DFADRP CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)C[C@H]([NH3+])c1ccccc1 ZINC000119583497 426298629 /nfs/dbraw/zinc/29/86/29/426298629.db2.gz PETLTVKEKJJKBN-MSOLQXFVSA-N 2 0 317.477 2.847 20 0 DFADRP CC(C)[C@H](C(=O)N1CCC[C@H](C[NH+]2CCC(C)CC2)C1)[NH+](C)C ZINC000151547140 426300993 /nfs/dbraw/zinc/30/09/93/426300993.db2.gz PGSBRMBXXDZTPM-QZTJIDSGSA-N 2 0 323.525 2.543 20 0 DFADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1[NH2+]CCc1nc2c(s1)CCCC2 ZINC000089667506 426301528 /nfs/dbraw/zinc/30/15/28/426301528.db2.gz OOKCQJOXKQSVPZ-IPYPFGDCSA-N 2 0 307.507 2.883 20 0 DFADRP C[C@H]1C[C@H]([NH2+]CC2(c3ccc(F)cc3)CCOCC2)CC[N@@H+]1C ZINC000152043118 426324033 /nfs/dbraw/zinc/32/40/33/426324033.db2.gz HJHZOTZQMJZFPK-MAUKXSAKSA-N 2 0 320.452 2.946 20 0 DFADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1NC1CC[NH+](Cc2ccccc2)CC1 ZINC000121234461 426327794 /nfs/dbraw/zinc/32/77/94/426327794.db2.gz WOVZUGXDNJEFTM-FUHIMQAGSA-N 2 0 315.505 2.969 20 0 DFADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+][C@H](C)c2sccc2C)CC1 ZINC000121230573 426328079 /nfs/dbraw/zinc/32/80/79/426328079.db2.gz JZKVZYUSNRKZAA-GOEBONIOSA-N 2 0 309.523 2.981 20 0 DFADRP Cc1c(C[NH2+][C@H](C)c2cccc(OCC[NH+](C)C)c2)cnn1C ZINC000090887951 426333322 /nfs/dbraw/zinc/33/33/22/426333322.db2.gz XTZKRXIRGWREHS-CQSZACIVSA-N 2 0 316.449 2.520 20 0 DFADRP CCC[NH+](CCC)CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000175872132 426335238 /nfs/dbraw/zinc/33/52/38/426335238.db2.gz ISXGZVHOUZYBHV-KRWDZBQOSA-N 2 0 305.466 2.528 20 0 DFADRP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@@H]2CCCc3ccccc32)CC1 ZINC000121347619 426336082 /nfs/dbraw/zinc/33/60/82/426336082.db2.gz ILPMXIXIWLOVFI-YLJYHZDGSA-N 2 0 315.505 2.927 20 0 DFADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+][C@H](C)c2ccc(OC)cc2)CC1 ZINC000121348402 426336335 /nfs/dbraw/zinc/33/63/35/426336335.db2.gz PDJRBLMIYYQRPT-DLBZAZTESA-N 2 0 319.493 2.619 20 0 DFADRP Cn1ncc2c1CCC[C@H]2[NH2+]CCCN1CCc2ccccc2C1 ZINC000122814104 426396454 /nfs/dbraw/zinc/39/64/54/426396454.db2.gz YEYNSPOMNPWZIF-LJQANCHMSA-N 2 0 324.472 2.836 20 0 DFADRP CC(C)[C@H](C[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1)NC(=O)OC(C)(C)C ZINC000122829786 426397818 /nfs/dbraw/zinc/39/78/18/426397818.db2.gz VZPLBBDPJQJQSF-ZNMIVQPWSA-N 2 0 313.486 2.608 20 0 DFADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1[NH2+]Cc1ccc(-n2ccnc2)c(F)c1 ZINC000153652675 426398293 /nfs/dbraw/zinc/39/82/93/426398293.db2.gz WHQOIFBNODZXPS-JKIFEVAISA-N 2 0 316.424 2.830 20 0 DFADRP C[C@H]1C[N@H+](C)CC[C@@H]1[NH2+]CC(C)(C)c1ccc2c(c1)OCCO2 ZINC000122879475 426400894 /nfs/dbraw/zinc/40/08/94/426400894.db2.gz BEVUUBUCVSQMOF-HOCLYGCPSA-N 2 0 318.461 2.665 20 0 DFADRP CC[C@@H]([NH2+]CCC[N@H+](C)CCOC)c1ccc2c(c1)CCO2 ZINC000153755953 426404011 /nfs/dbraw/zinc/40/40/11/426404011.db2.gz RWFUFXUGUQRKFS-QGZVFWFLSA-N 2 0 306.450 2.631 20 0 DFADRP C[C@H](Cc1ccc(Br)cc1)[NH2+]CC1CC[NH2+]CC1 ZINC000094009889 426360285 /nfs/dbraw/zinc/36/02/85/426360285.db2.gz ZKSVBZMGRSBAML-GFCCVEGCSA-N 2 0 311.267 2.969 20 0 DFADRP C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)c1cccc(C[NH+]2CCCC2)c1 ZINC000122159441 426361942 /nfs/dbraw/zinc/36/19/42/426361942.db2.gz OANSUNDQWSSHDC-YJBOKZPZSA-N 2 0 315.461 2.624 20 0 DFADRP CC(C)[C@@H](C(=O)N1CCC(CCC[NH+]2CCCC2)CC1)[NH+](C)C ZINC000153832185 426409523 /nfs/dbraw/zinc/40/95/23/426409523.db2.gz VVAFHRYXJOCZCM-SFHVURJKSA-N 2 0 323.525 2.687 20 0 DFADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)[C@H]1CC2CCC1CC2 ZINC000340286497 268961756 /nfs/dbraw/zinc/96/17/56/268961756.db2.gz UWPWYMZXIUESJR-ABHNRTSZSA-N 2 0 323.525 2.545 20 0 DFADRP Cc1ccccc1NC(=O)C[NH+]1CCC(CCC[NH+](C)C)CC1 ZINC000123204150 426420022 /nfs/dbraw/zinc/42/00/22/426420022.db2.gz FATCBRFDYOEAND-UHFFFAOYSA-N 2 0 317.477 2.987 20 0 DFADRP C[NH+](C)CCCC1CC[NH+](Cc2cn3ccccc3n2)CC1 ZINC000123204428 426420338 /nfs/dbraw/zinc/42/03/38/426420338.db2.gz SYVKSJIVAFYFIF-UHFFFAOYSA-N 2 0 300.450 2.888 20 0 DFADRP C[NH+](C)CCCC1CC[NH+](CCNC(=O)OC(C)(C)C)CC1 ZINC000123288884 426424997 /nfs/dbraw/zinc/42/49/97/426424997.db2.gz IFIZMDKFUXUUSZ-UHFFFAOYSA-N 2 0 313.486 2.565 20 0 DFADRP CC(C)[NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CC12CCOCC2 ZINC000340469542 268978695 /nfs/dbraw/zinc/97/86/95/268978695.db2.gz KMLPBMKGNLTKRY-SFHVURJKSA-N 2 0 302.462 2.913 20 0 DFADRP CC[NH+]1CCN(CCC[NH2+][C@@H](C)c2ccc(C)c(C)c2)CC1 ZINC000154262017 426432169 /nfs/dbraw/zinc/43/21/69/426432169.db2.gz NSGTWKDOMFAMRL-SFHVURJKSA-N 2 0 303.494 2.982 20 0 DFADRP CNC(=O)c1cccc(C[NH+]2CCC(CCC[NH+](C)C)CC2)c1 ZINC000123564150 426440655 /nfs/dbraw/zinc/44/06/55/426440655.db2.gz WKTMOLAZUTXSOW-UHFFFAOYSA-N 2 0 317.477 2.600 20 0 DFADRP CC[NH+]1CCN(CCCC[NH2+][C@@H](C)c2cccnc2Cl)CC1 ZINC000154475570 426441291 /nfs/dbraw/zinc/44/12/91/426441291.db2.gz HDJKWUIGQQSRSE-HNNXBMFYSA-N 2 0 324.900 2.803 20 0 DFADRP CC(C)[C@@H](CCO)[NH2+][C@H](C)c1cccc(OCC[NH+](C)C)c1 ZINC000123584586 426441930 /nfs/dbraw/zinc/44/19/30/426441930.db2.gz VLNQQCVIKDRWGE-CRAIPNDOSA-N 2 0 308.466 2.685 20 0 DFADRP C[C@@]1(C[N@H+](CCCO)[C@H]2CCCc3ccccc32)CC[NH2+]C1 ZINC000340700971 269001130 /nfs/dbraw/zinc/00/11/30/269001130.db2.gz KDRYUINXRNNZPK-RBUKOAKNSA-N 2 0 302.462 2.748 20 0 DFADRP CC(C)[C@H](C(=O)N1CCC[C@@H]([NH+]2CCCC2)C1)[NH+]1CCCCC1 ZINC000341000022 269035720 /nfs/dbraw/zinc/03/57/20/269035720.db2.gz HIABYDDTUOPNIC-QZTJIDSGSA-N 2 0 321.509 2.584 20 0 DFADRP C[C@H]([NH2+]C[C@@H](O)CN1CCc2ccccc2C1)C1CCCCC1 ZINC000177209403 426454069 /nfs/dbraw/zinc/45/40/69/426454069.db2.gz YZQFTBUUYSMBJK-OXJNMPFZSA-N 2 0 316.489 2.964 20 0 DFADRP CCN1CC[NH+](CCCC[NH2+][C@@H](C)c2cccc(OC)c2)CC1 ZINC000177213199 426455875 /nfs/dbraw/zinc/45/58/75/426455875.db2.gz ITRUXNQWCMKPTO-KRWDZBQOSA-N 2 0 319.493 2.764 20 0 DFADRP CCN1CC[NH+](CCCC[NH2+][C@H](C)c2cccc(OC)c2)CC1 ZINC000177213217 426455998 /nfs/dbraw/zinc/45/59/98/426455998.db2.gz ITRUXNQWCMKPTO-QGZVFWFLSA-N 2 0 319.493 2.764 20 0 DFADRP COc1ccc(CCC[NH2+][C@H]2CC[N@H+](C)C[C@H]2C)cc1OC ZINC000155202464 426466493 /nfs/dbraw/zinc/46/64/93/426466493.db2.gz STIASULHHRFELC-ZBFHGGJFSA-N 2 0 306.450 2.566 20 0 DFADRP COc1cccc([C@@H](C)[NH2+]C2CC[NH+](C[C@@H]3CCOC3)CC2)c1 ZINC000177351957 426471513 /nfs/dbraw/zinc/47/15/13/426471513.db2.gz QPAMSPYIDCSVAJ-CVEARBPZSA-N 2 0 318.461 2.847 20 0 DFADRP CC[N@@H+]1CC[C@@H](C[NH2+][C@@H]2CCCN(Cc3ccccc3)C2)C1 ZINC000124167257 426473990 /nfs/dbraw/zinc/47/39/90/426473990.db2.gz YNDVWOWOSZUSLX-RBUKOAKNSA-N 2 0 301.478 2.582 20 0 DFADRP C[C@@H](C(=O)NC1CC[NH+](C(C)(C)C)CC1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000101648905 426485624 /nfs/dbraw/zinc/48/56/24/426485624.db2.gz AIDROUOLONDNSG-ZNMIVQPWSA-N 2 0 309.498 2.627 20 0 DFADRP C[C@@H](C(=O)NCc1cccc(C[NH+](C)C)c1)[NH+]1[C@H](C)CC[C@H]1C ZINC000101639519 426485743 /nfs/dbraw/zinc/48/57/43/426485743.db2.gz HOSVSTHAZHXAHR-OAGGEKHMSA-N 2 0 317.477 2.626 20 0 DFADRP COC[C@H]([NH2+][C@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1)C1CC1 ZINC000272364365 426507918 /nfs/dbraw/zinc/50/79/18/426507918.db2.gz SPBSZPJDGWXSGD-LZQZEXGQSA-N 2 0 302.462 2.912 20 0 DFADRP C[C@H](NCCC[NH+]1CCCC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272395603 426515507 /nfs/dbraw/zinc/51/55/07/426515507.db2.gz DGPPHVKTBMFAJU-AZUAARDMSA-N 2 0 315.505 2.973 20 0 DFADRP CC(C)C[C@H](CNC(=O)[C@@H]1CCC[NH2+]1)[NH2+][C@@H](C)c1ccccc1 ZINC000272462495 426532742 /nfs/dbraw/zinc/53/27/42/426532742.db2.gz OQFRNASZTRIBCX-JQHSSLGASA-N 2 0 317.477 2.620 20 0 DFADRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+][C@@H]1CCCc2ccccc21 ZINC000186578891 426555363 /nfs/dbraw/zinc/55/53/63/426555363.db2.gz GFYBTYQELCGLLK-VQIMIIECSA-N 2 0 301.478 2.680 20 0 DFADRP C[NH+]1CCC(C)(C[NH2+]Cc2c(Cl)nc3ccccn32)CC1 ZINC000272537037 426550894 /nfs/dbraw/zinc/55/08/94/426550894.db2.gz KQPOIJRLUBJJKQ-UHFFFAOYSA-N 2 0 306.841 2.809 20 0 DFADRP C[C@H]([NH2+]CC(C)(C)CCO)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272536758 426551576 /nfs/dbraw/zinc/55/15/76/426551576.db2.gz BXJCVZKVISRJNB-FUHWJXTLSA-N 2 0 304.478 2.895 20 0 DFADRP CC[NH+](CC)CCN[C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272365338 426506016 /nfs/dbraw/zinc/50/60/16/426506016.db2.gz OBBSNNPJHVJEHH-PKOBYXMFSA-N 2 0 303.494 2.828 20 0 DFADRP C[C@H]([NH2+][C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21)c1cn[nH]c1 ZINC000272602685 426570305 /nfs/dbraw/zinc/57/03/05/426570305.db2.gz URUICGMQZVVDJR-IAAVTCLWSA-N 2 0 310.445 2.971 20 0 DFADRP Cn1cncc1C[NH2+][C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000273052987 426583231 /nfs/dbraw/zinc/58/32/31/426583231.db2.gz KUXYJBBUTKCWIJ-DFQSSKMNSA-N 2 0 324.472 2.810 20 0 DFADRP COc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+][C@H](C)CC[NH+](C)C)CC3 ZINC000273111135 426595134 /nfs/dbraw/zinc/59/51/34/426595134.db2.gz WIVXYELOPZIQAE-ZIAGYGMSSA-N 2 0 315.461 2.964 20 0 DFADRP CCc1ccc(CC[N@H+](C)CC2CC[NH+](C[C@@H](C)O)CC2)cc1 ZINC000265216641 426599139 /nfs/dbraw/zinc/59/91/39/426599139.db2.gz NHVIRWODTHPTTN-QGZVFWFLSA-N 2 0 318.505 2.816 20 0 DFADRP Cc1nn(C)cc1[C@@H](C)[NH2+]Cc1ccc(F)c(C[NH+](C)C)c1 ZINC000178299787 426601909 /nfs/dbraw/zinc/60/19/09/426601909.db2.gz FVXJHZVJVJGMBL-GFCCVEGCSA-N 2 0 304.413 2.780 20 0 DFADRP C[N@H+](Cc1ccccc1)[C@@H](CNC1CC[NH+](C)CC1)C1CC1 ZINC000186880466 426603389 /nfs/dbraw/zinc/60/33/89/426603389.db2.gz GJOPAJJRKOLHIC-IBGZPJMESA-N 2 0 301.478 2.581 20 0 DFADRP CC(C)C[C@H](C)C[NH2+]Cc1ccnc(N2CC[NH+](C)CC2)c1 ZINC000289206849 426605166 /nfs/dbraw/zinc/60/51/66/426605166.db2.gz IFWNWRCUMQXCMD-INIZCTEOSA-N 2 0 304.482 2.605 20 0 DFADRP C[C@H]1C[NH+](CC2CC[NH+](C[C@@H]3CCC(C)(C)O3)CC2)C[C@H](C)O1 ZINC000186927893 426609399 /nfs/dbraw/zinc/60/93/99/426609399.db2.gz GKHGVYZBVCBQIK-BQFCYCMXSA-N 2 0 324.509 2.765 20 0 DFADRP CCO[C@@H](CC[NH+](C)C)C[NH2+][C@H](C)c1ccc2c(c1)CCO2 ZINC000178377773 426618744 /nfs/dbraw/zinc/61/87/44/426618744.db2.gz XEEXOKCJFGQFLI-PBHICJAKSA-N 2 0 306.450 2.629 20 0 DFADRP CCc1nc(C)c([C@H](C)[NH2+][C@@H](C)CCN2CC[NH+](C)CC2)s1 ZINC000186603164 426561979 /nfs/dbraw/zinc/56/19/79/426561979.db2.gz JTLUZNSDVKZXPB-KBPBESRZSA-N 2 0 324.538 2.691 20 0 DFADRP O=C(Nc1ccc(C[NH+]2CCCCCC2)cc1)[C@H]1CC[NH2+]C1 ZINC000178742441 426686358 /nfs/dbraw/zinc/68/63/58/426686358.db2.gz YBYJIQXQRBCYGN-INIZCTEOSA-N 2 0 301.434 2.611 20 0 DFADRP c1ccc2c(c1)[nH+]ccc2N1CC[NH+](C[C@H]2CCCCO2)CC1 ZINC000289389532 426646130 /nfs/dbraw/zinc/64/61/30/426646130.db2.gz QTCPHMZWEILXCQ-MRXNPFEDSA-N 2 0 311.429 2.926 20 0 DFADRP Cc1cccc(C)c1C[NH+]1CCC(C[NH+]2CCN(C)CC2)CC1 ZINC000289398978 426648093 /nfs/dbraw/zinc/64/80/93/426648093.db2.gz GFTRFEFYTWVQRI-UHFFFAOYSA-N 2 0 315.505 2.763 20 0 DFADRP CCc1ccc([C@H](CNC(=O)[C@@]2(C)CCCC[NH2+]2)[NH+](C)C)cc1 ZINC000236980638 426686656 /nfs/dbraw/zinc/68/66/56/426686656.db2.gz WYNFWSHFZKKBKM-PKOBYXMFSA-N 2 0 317.477 2.500 20 0 DFADRP COc1ccc(C[C@@H](C)C[NH2+]CC2CC[NH+](C)CC2)cc1F ZINC000187336852 426650837 /nfs/dbraw/zinc/65/08/37/426650837.db2.gz RESVFHSPSLGJSI-CQSZACIVSA-N 2 0 308.441 2.944 20 0 DFADRP Cc1c(Cl)cccc1NC(=O)CN(C)[C@@H]1CCC[NH2+]CC1 ZINC000231668837 426651803 /nfs/dbraw/zinc/65/18/03/426651803.db2.gz ZMWKJOBCHUCRAV-CYBMUJFWSA-N 2 0 309.841 2.661 20 0 DFADRP CCCC[C@@H](C[NH3+])NC(=O)[C@H](c1ccccc1)[NH+](CC)CC ZINC000236836874 426686986 /nfs/dbraw/zinc/68/69/86/426686986.db2.gz WAFKDWIRGGVKQL-IRXDYDNUSA-N 2 0 305.466 2.703 20 0 DFADRP C[N@H+]1CC=C(C[NH2+]Cc2cc(O)cc(C(F)(F)F)c2)CC1 ZINC000289468685 426667020 /nfs/dbraw/zinc/66/70/20/426667020.db2.gz IVYVISNLHPQRBA-UHFFFAOYSA-N 2 0 300.324 2.763 20 0 DFADRP CC(C)([NH3+])CC(=O)NC[C@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC000178699341 426679123 /nfs/dbraw/zinc/67/91/23/426679123.db2.gz WSXVPDDFANEEST-OAHLLOKOSA-N 2 0 323.868 2.721 20 0 DFADRP CC(C)[C@H]([NH3+])C(=O)NC[C@@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC000236759285 426684076 /nfs/dbraw/zinc/68/40/76/426684076.db2.gz QPWMSYQFANWYFQ-HOTGVXAUSA-N 2 0 323.868 2.576 20 0 DFADRP C[N@H+](Cc1ccccc1)C1CCC([NH2+]CCn2ccnc2)CC1 ZINC000280907645 426684248 /nfs/dbraw/zinc/68/42/48/426684248.db2.gz FLTPDYCZMPSQPD-UHFFFAOYSA-N 2 0 312.461 2.916 20 0 DFADRP C[C@@H]([NH2+]CCC[NH+]1CCCC1)c1ccc2c(c1)CCC(=O)N2 ZINC000178411628 426624677 /nfs/dbraw/zinc/62/46/77/426624677.db2.gz GTESIJVMIBZILV-CQSZACIVSA-N 2 0 301.434 2.708 20 0 DFADRP C[C@@H](C[NH2+][C@@H](C)c1ccc2ccccc2n1)N1CC[NH+](C)CC1 ZINC000178774445 426692663 /nfs/dbraw/zinc/69/26/63/426692663.db2.gz BVRJXRNEVGSJNN-HOTGVXAUSA-N 2 0 312.461 2.521 20 0 DFADRP C[C@H]1C[C@H](C)C[NH+](Cc2ccccc2CNC(=O)CCC[NH3+])C1 ZINC000237556684 426694293 /nfs/dbraw/zinc/69/42/93/426694293.db2.gz YKGQOJBCABHOCS-HOTGVXAUSA-N 2 0 317.477 2.520 20 0 DFADRP C[C@]1(c2ccccc2)CC[C@@H]([NH2+]C[C@H](O)C[NH+]2CCCCC2)C1 ZINC000187820592 426697169 /nfs/dbraw/zinc/69/71/69/426697169.db2.gz NPZZSDICIHYTHD-AABGKKOBSA-N 2 0 316.489 2.933 20 0 DFADRP Cc1ccc(C[NH+](C)C)cc1NC(=O)[C@@H]1CC[NH2+][C@@H]1C(C)C ZINC000290134146 426700973 /nfs/dbraw/zinc/70/09/73/426700973.db2.gz MAMFKOSCDSVLNW-NVXWUHKLSA-N 2 0 303.450 2.629 20 0 DFADRP C[C@@H]1Cc2ccccc2N1C(=O)C[NH+]1CCC(c2ncc[nH]2)CC1 ZINC000266782941 426779109 /nfs/dbraw/zinc/77/91/09/426779109.db2.gz VMQOLTBTYQQLIP-CQSZACIVSA-N 2 0 324.428 2.567 20 0 DFADRP CC[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](N2CC[NH+](CC)CC2)C1 ZINC000245917285 426783249 /nfs/dbraw/zinc/78/32/49/426783249.db2.gz LKHAWDIIBVZRGN-MOPGFXCFSA-N 2 0 301.478 2.850 20 0 DFADRP CC[NH+](CC)[C@@H](C(=O)N1CCC[C@H](CC[NH3+])C1)c1ccccc1 ZINC000281883479 426784604 /nfs/dbraw/zinc/78/46/04/426784604.db2.gz GKRRRZCCPBBPTG-SJLPKXTDSA-N 2 0 317.477 2.657 20 0 DFADRP CC[C@H](C(=O)NCc1ccc(F)c(C[NH+](C)C)c1)[NH+](CC)CC ZINC000266830869 426786803 /nfs/dbraw/zinc/78/68/03/426786803.db2.gz KWARQCPBHGTVMH-QGZVFWFLSA-N 2 0 323.456 2.624 20 0 DFADRP C[C@H]1OCC[C@H]1[NH2+][C@H]1[C@H](C)C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000245952526 426787565 /nfs/dbraw/zinc/78/75/65/426787565.db2.gz PRLRLUXOSZMLPW-DARIXABFSA-N 2 0 302.462 2.910 20 0 DFADRP C[C@H]1C[N@H+](C)CC[C@@H]1N(C)Cc1cccc2c1OCCCO2 ZINC000290366561 426748750 /nfs/dbraw/zinc/74/87/50/426748750.db2.gz HFMNFALUGLTPHF-HOCLYGCPSA-N 2 0 304.434 2.620 20 0 DFADRP CCOC(=O)[C@H](CC)N(C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000266619383 426751632 /nfs/dbraw/zinc/75/16/32/426751632.db2.gz KRMXXSMQHQYGDU-ROUUACIJSA-N 2 0 318.461 2.782 20 0 DFADRP Cc1cccc(NC[C@H]2CC[NH+](CC[C@H]3CCC[N@H+]3C)C2)n1 ZINC000245575647 426752293 /nfs/dbraw/zinc/75/22/93/426752293.db2.gz AXDYKRBAGZXKHG-IAGOWNOFSA-N 2 0 302.466 2.608 20 0 DFADRP CC(C)[C@@H](CO)[N@H+](CC[C@H]1CCC[NH+]1C)Cc1ccccc1 ZINC000245704243 426765000 /nfs/dbraw/zinc/76/50/00/426765000.db2.gz RVHFJGRQJGGJHM-RTBURBONSA-N 2 0 304.478 2.990 20 0 DFADRP CN(CCCn1ccnc1)Cc1ncc(C(F)(F)F)s1 ZINC000290622445 426806901 /nfs/dbraw/zinc/80/69/01/426806901.db2.gz XKKURJCZOQYFJO-UHFFFAOYSA-N 2 0 304.341 2.881 20 0 DFADRP CCC[N@H+](C)C[C@@H]1CCN([C@@H](C)c2ccc(C(=O)OC)o2)C1 ZINC000267030584 426814377 /nfs/dbraw/zinc/81/43/77/426814377.db2.gz AUYCMDWKFMVDEP-KBPBESRZSA-N 2 0 308.422 2.791 20 0 DFADRP C[C@H](NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)[C@H](c1ccccc1)[NH+](C)C ZINC000290679908 426817925 /nfs/dbraw/zinc/81/79/25/426817925.db2.gz HRXFRWYECGELJL-UOVPBQLFSA-N 2 0 317.477 2.524 20 0 DFADRP C[N@H+](Cc1ccccc1)CC(C)(C)C[NH2+]C[C@@]1(O)CCSC1 ZINC000267104245 426825009 /nfs/dbraw/zinc/82/50/09/426825009.db2.gz XCRGHQUNJZAIOR-SFHVURJKSA-N 2 0 322.518 2.602 20 0 DFADRP OCC[NH+]1CCC(C[NH2+][C@@H]2CC[C@H](Cc3ccccc3)C2)CC1 ZINC000189165427 426825715 /nfs/dbraw/zinc/82/57/15/426825715.db2.gz BYTNYEQJAFBHQY-WOJBJXKFSA-N 2 0 316.489 2.692 20 0 DFADRP COc1c(Br)cccc1C[NH2+]CCCC[NH+](C)C ZINC000274728954 426826577 /nfs/dbraw/zinc/82/65/77/426826577.db2.gz AMPGQBFBABAAKS-UHFFFAOYSA-N 2 0 315.255 2.889 20 0 DFADRP CC(C)n1cc(C[NH+]2CCC(OCC[NH+]3CCCC3)CC2)cn1 ZINC000179988265 426827532 /nfs/dbraw/zinc/82/75/32/426827532.db2.gz UNWRPZBCMZIZHP-UHFFFAOYSA-N 2 0 320.481 2.541 20 0 DFADRP CCn1nccc1C[NH+]1CCC(CCC[NH+]2CCCC2)CC1 ZINC000180039093 426830278 /nfs/dbraw/zinc/83/02/78/426830278.db2.gz QAURUDHDFNPGKT-UHFFFAOYSA-N 2 0 304.482 2.991 20 0 DFADRP C([NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1)[C@H]1COC2(CCCCCC2)O1 ZINC000180007510 426830558 /nfs/dbraw/zinc/83/05/58/426830558.db2.gz DFOVEILDPBBDKX-ZACQAIPSSA-N 2 0 308.466 2.669 20 0 DFADRP CC(C)[C@H](O)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000180148802 426838641 /nfs/dbraw/zinc/83/86/41/426838641.db2.gz QUJGJYCYXJYEOA-XVLXNVKGSA-N 2 0 302.462 2.789 20 0 DFADRP CCc1ccc([C@H](C)[NH2+]CCN2CC[N@H+](C)C(C)(C)C2)cc1 ZINC000282145462 426838851 /nfs/dbraw/zinc/83/88/51/426838851.db2.gz CJBVZEHLDOCCRN-INIZCTEOSA-N 2 0 303.494 2.926 20 0 DFADRP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCC1OCCCO1 ZINC000274836983 426846040 /nfs/dbraw/zinc/84/60/40/426846040.db2.gz NNOPFTOAAJCQEX-FUHWJXTLSA-N 2 0 318.461 2.640 20 0 DFADRP C[NH2+]Cc1ccc(NC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)cc1 ZINC000295188893 426855865 /nfs/dbraw/zinc/85/58/65/426855865.db2.gz IPLVYEBDTPZYII-QGZVFWFLSA-N 2 0 303.450 2.855 20 0 DFADRP CC(C)C[C@H](C[NH+](C)C)NC(=O)c1sccc1C[NH+](C)C ZINC000291560023 426914787 /nfs/dbraw/zinc/91/47/87/426914787.db2.gz RJHAUTIZRTXTSC-CQSZACIVSA-N 2 0 311.495 2.516 20 0 DFADRP Cc1ccc2c(c1)[C@H]([NH2+]CC1CC[NH+](CCO)CC1)[C@@H](C)C2 ZINC000180486505 426865153 /nfs/dbraw/zinc/86/51/53/426865153.db2.gz AIBLBJUZSCTQHF-HNAYVOBHSA-N 2 0 302.462 2.522 20 0 DFADRP C[N@@H+]1CCN(CC[NH2+][C@H]2CCCc3ccccc32)CC1(C)C ZINC000282255634 426865289 /nfs/dbraw/zinc/86/52/89/426865289.db2.gz JSEJTQWHMDNLRN-SFHVURJKSA-N 2 0 301.478 2.680 20 0 DFADRP CC(C)[NH+]1CCC([NH2+][C@H]2CCCO[C@@H]2c2ccncc2)CC1 ZINC000275493068 426866535 /nfs/dbraw/zinc/86/65/35/426866535.db2.gz JBXHFDDRMNVGEE-ZWKOTPCHSA-N 2 0 303.450 2.764 20 0 DFADRP C[NH+](C)C1(CNC2CC[NH+](Cc3ccccc3)CC2)CCC1 ZINC000275643700 426885032 /nfs/dbraw/zinc/88/50/32/426885032.db2.gz SFWRHJMJMWAUSA-UHFFFAOYSA-N 2 0 301.478 2.725 20 0 DFADRP Cc1cc(C)cc([C@H](C)[NH2+]CCN2CC[N@H+](C)C(C)(C)C2)c1 ZINC000282349998 426890108 /nfs/dbraw/zinc/89/01/08/426890108.db2.gz PEUPBKCLVRRTHC-KRWDZBQOSA-N 2 0 303.494 2.980 20 0 DFADRP CC(C)c1ccc(C[NH2+]CCN2CC[N@H+](C)C(C)(C)C2)cc1 ZINC000282380040 426896068 /nfs/dbraw/zinc/89/60/68/426896068.db2.gz OKTCWBIWVSGMMA-UHFFFAOYSA-N 2 0 303.494 2.926 20 0 DFADRP c1cc([C@H]2OCCC[C@@H]2[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)ccn1 ZINC000275690971 426899619 /nfs/dbraw/zinc/89/96/19/426899619.db2.gz WYGLXIFEBBGNSA-XWTMOSNGSA-N 2 0 301.434 2.518 20 0 DFADRP Clc1cc(CN[C@H]2CC[N@@H+]3CCC[C@H]3C2)cc2c1OCCO2 ZINC000337648097 426899817 /nfs/dbraw/zinc/89/98/17/426899817.db2.gz YZQZTBOIUCNSHE-KBPBESRZSA-N 2 0 322.836 2.828 20 0 DFADRP c1cc(CC[N@@H+]2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)cc2c1OCC2 ZINC000316681066 426949755 /nfs/dbraw/zinc/94/97/55/426949755.db2.gz ZAMDQQKWKLLLGW-ROUUACIJSA-N 2 0 300.446 2.628 20 0 DFADRP c1cc(CC[N@@H+]2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)cc2c1OCC2 ZINC000316681065 426950220 /nfs/dbraw/zinc/95/02/20/426950220.db2.gz ZAMDQQKWKLLLGW-QZTJIDSGSA-N 2 0 300.446 2.628 20 0 DFADRP CC[C@@H]1CN(Cc2nc(-c3ccc(C)cc3)no2)CC[C@H]1[NH3+] ZINC000317121957 426954247 /nfs/dbraw/zinc/95/42/47/426954247.db2.gz HKFGKQGEIWLWGM-UKRRQHHQSA-N 2 0 300.406 2.604 20 0 DFADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1NC[C@H]1CCC[NH+]1Cc1ccccc1 ZINC000247995160 426970255 /nfs/dbraw/zinc/97/02/55/426970255.db2.gz JVPHIVISLZFTGN-LFGUQSLTSA-N 2 0 315.505 2.969 20 0 DFADRP COc1ccc([C@@H](C)[NH2+]CCCC[N@@H+]2CCC[C@H]2CO)c(F)c1 ZINC000247991364 426970891 /nfs/dbraw/zinc/97/08/91/426970891.db2.gz JLNRNVBVMQOZHZ-CABCVRRESA-N 2 0 324.440 2.722 20 0 DFADRP C[C@@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]C1CCN(C(=O)C(C)(C)C)CC1 ZINC000321967269 426972259 /nfs/dbraw/zinc/97/22/59/426972259.db2.gz NPYVBLHXVGVOEL-RDJZCZTQSA-N 2 0 323.525 2.924 20 0 DFADRP CC(C)(C)[NH+]1CCC([NH2+]C[C@@]2(O)CCc3ccccc32)CC1 ZINC000181670655 426972677 /nfs/dbraw/zinc/97/26/77/426972677.db2.gz ITNWLOLANWUWJC-IBGZPJMESA-N 2 0 302.462 2.673 20 0 DFADRP CC(C)(C)[NH+]1CCC([NH2+]C[C@]2(O)CCc3ccccc32)CC1 ZINC000181670633 426973603 /nfs/dbraw/zinc/97/36/03/426973603.db2.gz ITNWLOLANWUWJC-LJQANCHMSA-N 2 0 302.462 2.673 20 0 DFADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]CCc2ccccc2)[C@@H](C)C1 ZINC000248055977 426978254 /nfs/dbraw/zinc/97/82/54/426978254.db2.gz XJWLJQIFVFTGKV-HKUYNNGSSA-N 2 0 304.478 2.956 20 0 DFADRP C[C@@H](NC(=O)CC1CC[NH+](C)CC1)[C@@H](c1ccccc1)[NH+](C)C ZINC000291623089 426932194 /nfs/dbraw/zinc/93/21/94/426932194.db2.gz HBFCNFCVKXARMC-BEFAXECRSA-N 2 0 317.477 2.526 20 0 DFADRP C[C@H](C[NH2+][C@@H]1CCO[C@H](C(F)(F)F)C1)C[NH+]1CCCCC1 ZINC000315598340 426938692 /nfs/dbraw/zinc/93/86/92/426938692.db2.gz PEKSFNXCSRAJLK-MCIONIFRSA-N 2 0 308.388 2.808 20 0 DFADRP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]C[C@@H]1CCCO1 ZINC000276191450 427002888 /nfs/dbraw/zinc/00/28/88/427002888.db2.gz IHCQMYOMZRFFFG-OGWHTMIXSA-N 2 0 302.462 2.912 20 0 DFADRP c1cc(N2CCC(C[NH2+][C@@H]3CCOC4(CCC4)C3)CC2)cc[nH+]1 ZINC000295557355 427004793 /nfs/dbraw/zinc/00/47/93/427004793.db2.gz YWCKTJFMABFUMQ-QGZVFWFLSA-N 2 0 315.461 2.989 20 0 DFADRP CC1(C)[C@H](O)C[C@@H]1[NH2+][C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000248455112 427004841 /nfs/dbraw/zinc/00/48/41/427004841.db2.gz HSHYUOHEACEXJJ-BRIYLRKRSA-N 2 0 314.473 2.646 20 0 DFADRP C[C@@H]([NH2+]Cc1ccccc1C[N@@H+]1CC[C@@H](O)C1)c1ccoc1 ZINC000248457797 427005255 /nfs/dbraw/zinc/00/52/55/427005255.db2.gz UEXNWHATSNJQAC-RDTXWAMCSA-N 2 0 300.402 2.697 20 0 DFADRP C[C@@H]1C[C@H]([N@H+](C)CCCc2ccc3c(c2)CCO3)CCN1C ZINC000190052856 427011549 /nfs/dbraw/zinc/01/15/49/427011549.db2.gz MQJAXCCQFSPXAL-CRAIPNDOSA-N 2 0 302.462 2.969 20 0 DFADRP C[C@H]([NH2+][C@@H]1Cc2ccccc2[C@H]1O)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000248553650 427014209 /nfs/dbraw/zinc/01/42/09/427014209.db2.gz HMFHDOJPXZBETO-YDGZCJQPSA-N 2 0 314.473 2.887 20 0 DFADRP C[C@H]([NH2+]C[C@@H](O)Cc1ccccc1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000248592998 427017987 /nfs/dbraw/zinc/01/79/87/427017987.db2.gz RULDFLQLFMDPOL-QRFRQXIXSA-N 2 0 316.489 2.833 20 0 DFADRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+]Cc1ccc([C@H]2C[C@H]2C)o1 ZINC000248648531 427027762 /nfs/dbraw/zinc/02/77/62/427027762.db2.gz UTDMZBCDXWSUGC-INMHGKMJSA-N 2 0 305.466 2.519 20 0 DFADRP CC[N@H+](C)Cc1cccc(CNC(=O)C[C@@H]2CCCC[C@@H]2[NH3+])c1 ZINC000295958566 427029194 /nfs/dbraw/zinc/02/91/94/427029194.db2.gz HQRKRNMWDDKUJZ-ROUUACIJSA-N 2 0 317.477 2.662 20 0 DFADRP COCCC[C@H](C)[NH2+]Cc1ccccc1C[N@@H+]1CCC[C@@H]1CO ZINC000182235164 427034640 /nfs/dbraw/zinc/03/46/40/427034640.db2.gz VEWLUFGMIITVII-QFBILLFUSA-N 2 0 320.477 2.548 20 0 DFADRP CCC[C@H](C(=O)NCC(C)(C)[NH+]1C[C@H](C)C[C@@H](C)C1)[NH+](C)C ZINC000337948137 427053981 /nfs/dbraw/zinc/05/39/81/427053981.db2.gz KVUJEGXKRSHIJL-BZUAXINKSA-N 2 0 311.514 2.589 20 0 DFADRP CC(C)n1ncc2cc(CN3CC[C@@]4(CC[N@H+](C)C4)C3)cnc21 ZINC000292037602 427065509 /nfs/dbraw/zinc/06/55/09/427065509.db2.gz ABNCBHRCGFXMFS-GOSISDBHSA-N 2 0 313.449 2.540 20 0 DFADRP O[C@@H](CCc1ccccc1)C[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000182414031 427071416 /nfs/dbraw/zinc/07/14/16/427071416.db2.gz LTJZAKCUCRPPCO-UXHICEINSA-N 2 0 316.489 2.788 20 0 DFADRP C[NH+]1CCN(c2ncccc2C[NH2+][C@@H]2CC[C@@H]2C2CCC2)CC1 ZINC000337992876 427079289 /nfs/dbraw/zinc/07/92/89/427079289.db2.gz GOXAFDXZCXWNDY-QZTJIDSGSA-N 2 0 314.477 2.502 20 0 DFADRP COCCN1CC[C@H]([NH2+][C@@H](C)CCc2c(F)cccc2F)C1 ZINC000338000218 427083990 /nfs/dbraw/zinc/08/39/90/427083990.db2.gz VBSKXRJZQUEWML-KBPBESRZSA-N 2 0 312.404 2.596 20 0 DFADRP COCCN1CC[C@H]([NH2+][C@H](C)CCc2c(F)cccc2F)C1 ZINC000338000220 427084411 /nfs/dbraw/zinc/08/44/11/427084411.db2.gz VBSKXRJZQUEWML-KGLIPLIRSA-N 2 0 312.404 2.596 20 0 DFADRP C[NH+]1CCN(c2cc(C[NH2+][C@H]3CC[C@@H]3C3CCC3)ccn2)CC1 ZINC000338003515 427087808 /nfs/dbraw/zinc/08/78/08/427087808.db2.gz XENRSDJKDQEGME-MSOLQXFVSA-N 2 0 314.477 2.502 20 0 DFADRP Cc1ccc2c(CN3CC[C@@]4(CC[N@@H+](C)C4)C3)cc(=O)oc2c1 ZINC000292116403 427095935 /nfs/dbraw/zinc/09/59/35/427095935.db2.gz JQPIRQQEQHPUQD-LJQANCHMSA-N 2 0 312.413 2.629 20 0 DFADRP C[C@H](C(=O)NCCC[NH+]1CCCCCC1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000338029771 427099843 /nfs/dbraw/zinc/09/98/43/427099843.db2.gz OYLFRQURXYACRH-IXDOHACOSA-N 2 0 309.498 2.630 20 0 DFADRP C[C@@H]1C[N@@H+](CCC2CC[NH+](CC[C@H]3CCCO3)CC2)C[C@H](C)O1 ZINC000249274612 427100950 /nfs/dbraw/zinc/10/09/50/427100950.db2.gz JTFUIEIKABOBRH-ZIFCJYIRSA-N 2 0 324.509 2.767 20 0 DFADRP CCN1CCC[C@H]1C[NH2+][C@@H](C)c1cccc(N2CCOCC2)c1 ZINC000268725769 427103321 /nfs/dbraw/zinc/10/33/21/427103321.db2.gz MDLFCZGYBOUGAH-LPHOPBHVSA-N 2 0 317.477 2.658 20 0 DFADRP COc1ccnc(CN2CC[NH+](CCC(C)(C)C)CC2)c1OC ZINC000190422001 427104002 /nfs/dbraw/zinc/10/40/02/427104002.db2.gz UFHQEODDKSCHKW-UHFFFAOYSA-N 2 0 321.465 2.653 20 0 DFADRP C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)[C@H](C)[NH+]1[C@H](C)CC[C@@H]1C ZINC000338046830 427110899 /nfs/dbraw/zinc/11/08/99/427110899.db2.gz LNRWEJUEUQZZMR-MULDDASSSA-N 2 0 323.525 2.730 20 0 DFADRP CC[NH+](CC)CCC[C@H](C)NC(=O)c1ccc2c[nH+]cn2c1 ZINC000284020391 427117448 /nfs/dbraw/zinc/11/74/48/427117448.db2.gz NSYFZHQAAAONBO-AWEZNQCLSA-N 2 0 302.422 2.575 20 0 DFADRP COCC[N@H+](C)CCC[NH2+][C@H](C)c1cccc(OC(F)F)c1 ZINC000268809907 427125725 /nfs/dbraw/zinc/12/57/25/427125725.db2.gz KNYHITGYSKASLE-CYBMUJFWSA-N 2 0 316.392 2.907 20 0 DFADRP C[C@@H]([NH2+]C(C)(C)CNC(=O)CC[C@H]1CCC[NH2+]1)c1ccccc1 ZINC000292034487 427063841 /nfs/dbraw/zinc/06/38/41/427063841.db2.gz HFXJWOYVUYVPEB-NVXWUHKLSA-N 2 0 317.477 2.764 20 0 DFADRP C[C@@H](CC(C)(C)O)[NH2+][C@@H](C)c1ccc(OCC[NH+](C)C)cc1 ZINC000296295564 427141062 /nfs/dbraw/zinc/14/10/62/427141062.db2.gz FPZZMDILQSFGQD-GJZGRUSLSA-N 2 0 308.466 2.827 20 0 DFADRP CCC[C@H]([NH2+]CC1(O)CC[NH+](C)CC1)c1ccc(OC)cc1 ZINC000268981758 427142469 /nfs/dbraw/zinc/14/24/69/427142469.db2.gz KTWSLVFOTFPXLR-KRWDZBQOSA-N 2 0 306.450 2.583 20 0 DFADRP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)c1ccc(C[NH+](C)C)cc1 ZINC000249747251 427142795 /nfs/dbraw/zinc/14/27/95/427142795.db2.gz OHDAABJCWFXIJV-CVEARBPZSA-N 2 0 317.477 2.598 20 0 DFADRP C[C@@H]1C[C@H]([NH2+]CCCC[NH+](C)C)CCN1Cc1ccccc1 ZINC000269054748 427149625 /nfs/dbraw/zinc/14/96/25/427149625.db2.gz WKVPEMWPEBAHNG-IEBWSBKVSA-N 2 0 303.494 2.971 20 0 DFADRP C[C@H](CCCO)C[NH2+][C@H](C)c1ccc(OCC[NH+](C)C)cc1 ZINC000296327543 427150182 /nfs/dbraw/zinc/15/01/82/427150182.db2.gz HCPSQJNIKMLDAH-HZPDHXFCSA-N 2 0 308.466 2.686 20 0 DFADRP C[NH+](C)[C@H](CNC(=O)c1ccc2c[nH+]cn2c1)C1CCCCC1 ZINC000284189725 427152174 /nfs/dbraw/zinc/15/21/74/427152174.db2.gz YMSZFTJDHGTGMC-QGZVFWFLSA-N 2 0 314.433 2.575 20 0 DFADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC1=CCCOC1 ZINC000269280950 427159633 /nfs/dbraw/zinc/15/96/33/427159633.db2.gz KLHCCHGIWCYGFO-VQIMIIECSA-N 2 0 300.446 2.833 20 0 DFADRP C[C@H](C[NH2+][C@@H]1c2cc(F)ccc2C[C@@H]1C)CN1CC[NH+](C)CC1 ZINC000121098632 271019515 /nfs/dbraw/zinc/01/95/15/271019515.db2.gz DJGXKDSUNHBSDI-VCBZYWHSSA-N 2 0 319.468 2.532 20 0 DFADRP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@H]2CCc3cc(F)ccc32)CC1 ZINC000121109080 271022092 /nfs/dbraw/zinc/02/20/92/271022092.db2.gz IVULUAXWMVGTAN-BEFAXECRSA-N 2 0 319.468 2.676 20 0 DFADRP C(C[N@H+](C[C@H]1CCCO1)[C@@H]1CCSC1)C[NH+]1CCCCC1 ZINC000162113959 271081066 /nfs/dbraw/zinc/08/10/66/271081066.db2.gz AEXMUNUFIGGSGJ-IAGOWNOFSA-N 2 0 312.523 2.849 20 0 DFADRP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)C2(C[NH3+])CCCC2)C1 ZINC000166446874 271096525 /nfs/dbraw/zinc/09/65/25/271096525.db2.gz ALPUOOVQRQKOPC-SJORKVTESA-N 2 0 321.509 2.619 20 0 DFADRP CC[NH+]1CCC(CCNC(=O)[C@H]2CCCCCC[C@@H]2[NH3+])CC1 ZINC000168712060 271098651 /nfs/dbraw/zinc/09/86/51/271098651.db2.gz VKCYJPKYUFWRPU-IRXDYDNUSA-N 2 0 309.498 2.522 20 0 DFADRP CC(C)[NH+](CCCNC(=O)[C@H](C)[NH+]1[C@@H](C)CC[C@@H]1C)C(C)C ZINC000174097685 271126708 /nfs/dbraw/zinc/12/67/08/271126708.db2.gz CUXOCBVJEXLEFE-ULQDDVLXSA-N 2 0 311.514 2.873 20 0 DFADRP [NH3+]Cc1ccc(C(=O)N[C@H](C[NH+]2CCCC2)c2ccccc2)cc1 ZINC000237987667 271254466 /nfs/dbraw/zinc/25/44/66/271254466.db2.gz SCNBBDJGZVZISH-LJQANCHMSA-N 2 0 323.440 2.712 20 0 DFADRP C[C@@H](C[NH2+][C@H]1CC[C@@H](C)c2ccccc21)N1CC[NH+](C)CC1 ZINC000246855549 271261708 /nfs/dbraw/zinc/26/17/08/271261708.db2.gz BQTCSMNLZTUJQW-GJYPPUQNSA-N 2 0 301.478 2.851 20 0 DFADRP C[C@H](O)C[NH+]1CCC(C[N@H+](C)[C@@H](C)c2ccccc2F)CC1 ZINC000264309064 271272567 /nfs/dbraw/zinc/27/25/67/271272567.db2.gz ZJDQJWVGWJQQFK-GJZGRUSLSA-N 2 0 308.441 2.911 20 0 DFADRP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1ccccc1-n1ccnn1 ZINC000296404671 427172743 /nfs/dbraw/zinc/17/27/43/427172743.db2.gz KRRPPLXUSLXOTC-WZYMTQMTSA-N 2 0 311.433 2.543 20 0 DFADRP C[N@H+](CCc1ccc2c(c1)CCO2)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000285617924 271342091 /nfs/dbraw/zinc/34/20/91/271342091.db2.gz WIDUGFIMBVUFNS-JWTNVVGKSA-N 2 0 300.446 2.721 20 0 DFADRP [NH3+]C1(c2noc([C@H]3CCC[N@@H+]3C3CCOCC3)n2)CCCCC1 ZINC000333642675 271383044 /nfs/dbraw/zinc/38/30/44/271383044.db2.gz XOZAPGCWBNQAOA-CQSZACIVSA-N 2 0 320.437 2.504 20 0 DFADRP C([NH2+][C@@H]1CCCCC12CCCC2)c1nnc(C2CC[NH2+]CC2)[nH]1 ZINC000333643934 271383135 /nfs/dbraw/zinc/38/31/35/271383135.db2.gz XSOOMRZUBZJWDB-OAHLLOKOSA-N 2 0 317.481 2.864 20 0 DFADRP C[NH+](C)[C@@H](CNC(=O)C[C@H]([NH3+])c1ccccc1)c1ccsc1 ZINC000269528192 427219117 /nfs/dbraw/zinc/21/91/17/427219117.db2.gz VLSUFPLFAQNOEQ-HOTGVXAUSA-N 2 0 317.458 2.557 20 0 DFADRP c1ccc(C[C@H]([NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)c2cccnc2)nc1 ZINC000338195009 427186697 /nfs/dbraw/zinc/18/66/97/427186697.db2.gz KDGTZMVSVCFIOW-JXFKEZNVSA-N 2 0 322.456 2.834 20 0 DFADRP c1ccc(C[C@H](N[C@H]2CC[N@@H+]3CCC[C@H]3C2)c2cccnc2)nc1 ZINC000338211724 427193735 /nfs/dbraw/zinc/19/37/35/427193735.db2.gz JINMYVHYTXBXHN-UFYCRDLUSA-N 2 0 322.456 2.977 20 0 DFADRP CCOCC[NH2+][C@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000183130037 427207133 /nfs/dbraw/zinc/20/71/33/427207133.db2.gz AOALRBVAGMHLFR-FHWLQOOXSA-N 2 0 302.462 2.913 20 0 DFADRP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3cc4ccccc4[nH]c3=O)CC[C@H]21 ZINC000253554258 427214884 /nfs/dbraw/zinc/21/48/84/427214884.db2.gz AZUZUBOHKMQSDS-CRAIPNDOSA-N 2 0 311.429 2.857 20 0 DFADRP CCc1ccc2[nH+]ccc(N3CC[C@H]4OCC[N@H+](C)[C@H]4C3)c2c1 ZINC000296730443 427229980 /nfs/dbraw/zinc/22/99/80/427229980.db2.gz IOXJSTYNTWGEAU-RBUKOAKNSA-N 2 0 311.429 2.707 20 0 DFADRP CN(CC[N@H+](C)C[C@@H]1CCCC(F)(F)C1)C1CC[NH+](C)CC1 ZINC000338279778 427231999 /nfs/dbraw/zinc/23/19/99/427231999.db2.gz ARKWYEOBOMNCBW-OAHLLOKOSA-N 2 0 317.468 2.770 20 0 DFADRP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@@H+]2C[C@@H]1CCCC(F)(F)C1 ZINC000338284017 427235001 /nfs/dbraw/zinc/23/50/01/427235001.db2.gz JBYROFVWVCECCE-FPCVCCKLSA-N 2 0 316.436 2.995 20 0 DFADRP CC[NH+](CC)Cc1ccc(C[NH2+]Cc2c(C)cnn2C)cc1 ZINC000285479014 427242540 /nfs/dbraw/zinc/24/25/40/427242540.db2.gz OLTQTYGMLFZQNS-UHFFFAOYSA-N 2 0 300.450 2.860 20 0 DFADRP Cc1sccc1C[NH2+]Cc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC000293215965 427249346 /nfs/dbraw/zinc/24/93/46/427249346.db2.gz JOWQKNZNYYFEGP-SFHVURJKSA-N 2 0 316.470 2.913 20 0 DFADRP C[C@H]([NH2+][C@H]1CCCOCC1)c1cccc(OCC[NH+](C)C)c1 ZINC000183350137 427250326 /nfs/dbraw/zinc/25/03/26/427250326.db2.gz NHPXMXANJKGGDH-RDJZCZTQSA-N 2 0 306.450 2.847 20 0 DFADRP C[N@H+](CC1CC1)C[C@@H]1CC[NH+](CCCO[C@@H]2CCCCO2)C1 ZINC000338318750 427254394 /nfs/dbraw/zinc/25/43/94/427254394.db2.gz RIDGJHWSNVNZTE-ZWKOTPCHSA-N 2 0 310.482 2.583 20 0 DFADRP C[NH+](C)[C@@H](CNc1cc(N2CCCC2)ncn1)c1ccsc1 ZINC000277600339 427255824 /nfs/dbraw/zinc/25/58/24/427255824.db2.gz VBVFTDPHNSXREI-AWEZNQCLSA-N 2 0 317.462 2.853 20 0 DFADRP C[N@@H+]1CC[C@H](NC(=O)c2ccc3c[nH+]cn3c2)[C@@H]1c1ccccc1 ZINC000285536041 427262841 /nfs/dbraw/zinc/26/28/41/427262841.db2.gz HQRPXCXZTQCVFD-ROUUACIJSA-N 2 0 320.396 2.510 20 0 DFADRP Cn1cc(CC[N@@H+]2CC[C@]3(CC[NH+](Cc4ccccc4)C3)C2)cn1 ZINC000285643784 427299527 /nfs/dbraw/zinc/29/95/27/427299527.db2.gz RXDDNUIXOQFWEQ-FQEVSTJZSA-N 2 0 324.472 2.561 20 0 DFADRP Cc1ccc(C[NH2+]CC2(O)CC[NH+](C(C)C)CC2)cc1Cl ZINC000277731134 427299736 /nfs/dbraw/zinc/29/97/36/427299736.db2.gz OSOTXGPWYLVBJE-UHFFFAOYSA-N 2 0 310.869 2.973 20 0 DFADRP CC(C)[C@@H](O)C[N@@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000293363400 427300242 /nfs/dbraw/zinc/30/02/42/427300242.db2.gz ONLWHPSZOBVGRS-OALUTQOASA-N 2 0 302.462 2.601 20 0 DFADRP C[N@H+](Cc1ccc(-n2cccn2)cc1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000285671362 427305807 /nfs/dbraw/zinc/30/58/07/427305807.db2.gz ZSTUFMHKTMAKEQ-DFNIBXOVSA-N 2 0 310.445 2.929 20 0 DFADRP C[C@@H](C[NH2+]CC1CCC(C(F)(F)F)CC1)N1CC[NH+](C)CC1 ZINC000183700722 427323183 /nfs/dbraw/zinc/32/31/83/427323183.db2.gz WYZGNZNJIQSMCW-NFOMZHRRSA-N 2 0 321.431 2.581 20 0 DFADRP C[N@H+](CCC(=O)Nc1ccc(Cl)cc1)C[C@@H]1CC[NH+](C)C1 ZINC000277825917 427332183 /nfs/dbraw/zinc/33/21/83/427332183.db2.gz LFQLXJBYRPZCIN-CYBMUJFWSA-N 2 0 309.841 2.552 20 0 DFADRP COc1ccccc1/C=C/C[NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1 ZINC000277865768 427342533 /nfs/dbraw/zinc/34/25/33/427342533.db2.gz NJCDTIQGVSEODP-MPNRVQBSSA-N 2 0 318.461 2.799 20 0 DFADRP C[C@H](C[C@H]1COCC[NH2+]1)NCC1([NH+]2CCCCC2)CCCCC1 ZINC000261949431 427347000 /nfs/dbraw/zinc/34/70/00/427347000.db2.gz WBVHBAGDCQXKLX-MSOLQXFVSA-N 2 0 323.525 2.532 20 0 DFADRP CCC[NH+]1CCC([NH2+]C[C@@](C)(C(=O)OC)c2ccccc2)CC1 ZINC000191591196 427383681 /nfs/dbraw/zinc/38/36/81/427383681.db2.gz MWFOCYNGVLSFSG-LJQANCHMSA-N 2 0 318.461 2.581 20 0 DFADRP [NH3+]Cc1cc(NC(=O)C2([NH3+])CCCCC2)cc(C(F)(F)F)c1 ZINC000262983776 427389741 /nfs/dbraw/zinc/38/97/41/427389741.db2.gz NMQKPJKLOAFTDG-UHFFFAOYSA-N 2 0 315.339 2.764 20 0 DFADRP CCc1nc(C)c(C[NH2+]C2CCN(c3cc[nH+]cc3)CC2)o1 ZINC000297407538 427401059 /nfs/dbraw/zinc/40/10/59/427401059.db2.gz LAYVPAMTAZGURV-UHFFFAOYSA-N 2 0 300.406 2.699 20 0 DFADRP Fc1ccccc1N1CC[C@H]([NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)C1 ZINC000293678772 427404557 /nfs/dbraw/zinc/40/45/57/427404557.db2.gz NCAJNRYKAWBBKQ-HRCADAONSA-N 2 0 303.425 2.621 20 0 DFADRP CC(C)OCC[NH2+]Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000184172948 427409301 /nfs/dbraw/zinc/40/93/01/427409301.db2.gz HMHSIHPQBHSNSD-UHFFFAOYSA-N 2 0 319.493 2.732 20 0 DFADRP FC(F)(F)c1ccnc(CC[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000293711885 427413678 /nfs/dbraw/zinc/41/36/78/427413678.db2.gz MWMLCVWTXVBKQC-CABCVRRESA-N 2 0 313.367 2.859 20 0 DFADRP CCc1ccccc1NC(=O)C[C@@H](C)[NH2+]C[C@@H](C)C[NH+](C)C ZINC000293718553 427414507 /nfs/dbraw/zinc/41/45/07/427414507.db2.gz PKHRMYUTDAQWHY-HUUCEWRRSA-N 2 0 305.466 2.753 20 0 DFADRP CC(C)[C@@H](C[N@H+](C)Cc1ccccc1)NC(=O)C[NH+](C)C(C)C ZINC000183913306 427357430 /nfs/dbraw/zinc/35/74/30/427357430.db2.gz TYJZKSQRSLIXLI-GOSISDBHSA-N 2 0 319.493 2.599 20 0 DFADRP COCC[N@H+](C)CCC[NH2+][C@@H]1CCSc2ccc(OC)cc21 ZINC000191494971 427361664 /nfs/dbraw/zinc/36/16/64/427361664.db2.gz CZDWKTYMFYHTTH-MRXNPFEDSA-N 2 0 324.490 2.790 20 0 DFADRP COC(=O)c1coc([C@H](C)[NH2+]CCCCC[NH+]2CCCC2)c1 ZINC000293564823 427365286 /nfs/dbraw/zinc/36/52/86/427365286.db2.gz AVIHHRLOFKLMJS-AWEZNQCLSA-N 2 0 308.422 2.983 20 0 DFADRP OC[C@@H](C[NH2+]C1CCN(c2ccccn2)CC1)C1CCCCC1 ZINC000293567798 427367231 /nfs/dbraw/zinc/36/72/31/427367231.db2.gz AZUIMSHERZAVOU-QGZVFWFLSA-N 2 0 317.477 2.829 20 0 DFADRP O[C@@H]1CC[N@H+](Cc2ccccc2C[NH2+][C@H]2CCC[C@@H]2CCF)C1 ZINC000285903156 427368519 /nfs/dbraw/zinc/36/85/19/427368519.db2.gz BKIPTAKWOGOBON-LZQZEXGQSA-N 2 0 320.452 2.871 20 0 DFADRP Cc1cncc([C@@H](C)[NH2+]Cc2ccnc(OCC[NH+](C)C)c2)c1 ZINC000184424874 427458806 /nfs/dbraw/zinc/45/88/06/427458806.db2.gz MYFCEKACVBILDG-OAHLLOKOSA-N 2 0 314.433 2.576 20 0 DFADRP C[NH+](C)CCc1ccc(NC(=O)[C@@H]2CCCC[C@@]2(C)[NH3+])cc1 ZINC000263315497 427462470 /nfs/dbraw/zinc/46/24/70/427462470.db2.gz ZJYGFHOORANICC-FUHWJXTLSA-N 2 0 303.450 2.637 20 0 DFADRP C[C@@H]([NH3+])[C@@H](C)C(=O)NCc1ccccc1C[NH+]1CCC(C)CC1 ZINC000192094037 427479929 /nfs/dbraw/zinc/47/99/29/427479929.db2.gz KPFLTBIDEGLXMP-HZPDHXFCSA-N 2 0 317.477 2.518 20 0 DFADRP C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)CC1(C[NH3+])CCCCC1 ZINC000184228440 427420251 /nfs/dbraw/zinc/42/02/51/427420251.db2.gz VLJAMUWNCALMPD-JKSUJKDBSA-N 2 0 309.498 2.522 20 0 DFADRP C[C@H]1CCC[N@H+](CCCCNC(=O)CC2(C[NH3+])CCCCC2)C1 ZINC000184224633 427420500 /nfs/dbraw/zinc/42/05/00/427420500.db2.gz DRLRCESNJLHKRZ-KRWDZBQOSA-N 2 0 323.525 2.914 20 0 DFADRP [NH3+]CC1(CC(=O)N2CCC[N@@H+](C3CCCC3)CC2)CCCCC1 ZINC000184231168 427421092 /nfs/dbraw/zinc/42/10/92/427421092.db2.gz XASNKBJGMBCXMW-UHFFFAOYSA-N 2 0 321.509 2.763 20 0 DFADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)CC2(C[NH3+])CCCCC2)C1 ZINC000184224384 427421571 /nfs/dbraw/zinc/42/15/71/427421571.db2.gz OWXFCDSXNZDUAW-CALCHBBNSA-N 2 0 323.525 2.770 20 0 DFADRP C[NH+](C)CCN(Cc1cccc(F)c1)C(=O)CCCCCC[NH3+] ZINC000286175499 427446622 /nfs/dbraw/zinc/44/66/22/427446622.db2.gz RCNJKZZWOXZHKK-UHFFFAOYSA-N 2 0 323.456 2.625 20 0 DFADRP Cc1nn2c(CN(C)CC[C@@H]3CCCC[N@@H+]3C)c(C)nc2s1 ZINC000271201726 427446659 /nfs/dbraw/zinc/44/66/59/427446659.db2.gz PYRKNXVGXAFIPN-AWEZNQCLSA-N 2 0 321.494 2.714 20 0 DFADRP CCC[C@](C)([NH3+])C(=O)NCc1cccc(C[N@H+](C)C(C)C)c1 ZINC000263250070 427447293 /nfs/dbraw/zinc/44/72/93/427447293.db2.gz JGZDRLSGBONASK-SFHVURJKSA-N 2 0 305.466 2.661 20 0 DFADRP CCN(C)CC[NH2+]C1CCC([N@H+](C)Cc2ccccc2)CC1 ZINC000286371036 427507080 /nfs/dbraw/zinc/50/70/80/427507080.db2.gz ZQGGMGQYQRIFDH-UHFFFAOYSA-N 3 0 303.494 2.971 20 0 DFADRP CC[NH+](CC)[C@@H](CNC(=O)C1CC[NH+](C2CC2)CC1)CC(C)C ZINC000338833670 427513121 /nfs/dbraw/zinc/51/31/21/427513121.db2.gz LBODMAFMFBXMAZ-GOSISDBHSA-N 2 0 323.525 2.734 20 0 DFADRP C[N@H+](CCC1CCN(c2cc[nH+]cc2)CC1)Cc1ccno1 ZINC000271405290 427526261 /nfs/dbraw/zinc/52/62/61/427526261.db2.gz XTXAOOYQIQJGPW-UHFFFAOYSA-N 2 0 300.406 2.808 20 0 DFADRP C[C@@H](C(=O)Nc1cccc(C[NH+](C)C)c1)[NH+]1[C@H](C)CC[C@H]1C ZINC000263682124 427539677 /nfs/dbraw/zinc/53/96/77/427539677.db2.gz NRSTZVLDFWDABM-KFWWJZLASA-N 2 0 303.450 2.948 20 0 DFADRP C[C@@H]([NH2+]CCC[C@H](C)CO)c1ccc(OCC[NH+](C)C)cc1 ZINC000271454710 427543504 /nfs/dbraw/zinc/54/35/04/427543504.db2.gz GPCDTYGANXYFKT-JKSUJKDBSA-N 2 0 308.466 2.686 20 0 DFADRP COc1ccc([C@H](C)[NH2+]C2CC[NH+]([C@H]3CCC[C@H]3O)CC2)cc1 ZINC000271454071 427543587 /nfs/dbraw/zinc/54/35/87/427543587.db2.gz FAKSFLLQZJARQT-ZOCIIQOWSA-N 2 0 318.461 2.724 20 0 DFADRP O[C@@H](Cc1ccc(F)cc1)C[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000338911328 427553096 /nfs/dbraw/zinc/55/30/96/427553096.db2.gz JXBLUCPEIZHCGE-IBGZPJMESA-N 2 0 320.452 2.537 20 0 DFADRP C[C@H]([NH2+]Cc1ccc(OCCC[NH+](C)C)cc1)c1ccnn1C ZINC000192817992 427617276 /nfs/dbraw/zinc/61/72/76/427617276.db2.gz ISYIVKNIGWCQHO-HNNXBMFYSA-N 2 0 316.449 2.601 20 0 DFADRP CCC[NH+](CCC)CCCNC(=O)c1ccc(C[NH+](C)C)cc1 ZINC000263958785 427622007 /nfs/dbraw/zinc/62/20/07/427622007.db2.gz QULDVUDJAOSGNH-UHFFFAOYSA-N 2 0 319.493 2.990 20 0 DFADRP CC[N@@H+]1CC[C@H](C[NH2+][C@@H](C)c2cc3c(C)nn(C)c3s2)C1 ZINC000287259554 427562018 /nfs/dbraw/zinc/56/20/18/427562018.db2.gz AIULONCJUKTLAJ-QWHCGFSZSA-N 2 0 306.479 2.936 20 0 DFADRP CCOCC[NH+](C)Cc1ccc(C[N@@H+](C)CCOCC)cc1 ZINC000271519764 427568276 /nfs/dbraw/zinc/56/82/76/427568276.db2.gz VQBKBUQTCJWZQZ-UHFFFAOYSA-N 2 0 308.466 2.623 20 0 DFADRP CC1(C)C[C@H]([NH2+]C2CCC(C[NH3+])CC2)c2cc(N)ccc2O1 ZINC000332341370 427584436 /nfs/dbraw/zinc/58/44/36/427584436.db2.gz WYYWFIQTWRBUFD-PXCJXSSVSA-N 2 0 303.450 2.978 20 0 DFADRP C[C@@H]([NH2+]CC[C@@H]1CCCC[N@@H+]1C)c1ccc2c(c1)CC(=O)N2C ZINC000271826976 427588346 /nfs/dbraw/zinc/58/83/46/427588346.db2.gz OUXGGCPUQUOUSA-PBHICJAKSA-N 2 0 315.461 2.731 20 0 DFADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1[NH2+]Cc1ccc(N2CCCC2=O)cc1 ZINC000192702287 427588746 /nfs/dbraw/zinc/58/87/46/427588746.db2.gz RCYHNKUVWSJPOP-VKJFTORMSA-N 2 0 315.461 2.632 20 0 DFADRP C[C@H](CCc1ccc2c(c1)OCO2)[NH2+]CC1=CC[N@H+](C)CC1 ZINC000271913561 427595892 /nfs/dbraw/zinc/59/58/92/427595892.db2.gz YKNLZTKNIMRYPT-CQSZACIVSA-N 2 0 302.418 2.588 20 0 DFADRP C[C@H](CNC1C[C@H]2CC[C@@H](C1)[N@H+]2C)[NH+](C)Cc1ccccc1 ZINC000192851517 427623881 /nfs/dbraw/zinc/62/38/81/427623881.db2.gz VBAPCTFMVRYCJD-BPIHKTFHSA-N 2 0 301.478 2.722 20 0 DFADRP O[C@@H](Cc1cccc(Cl)c1)C[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000287586288 427646667 /nfs/dbraw/zinc/64/66/67/427646667.db2.gz CNXAVUHMNCGZBU-AEFFLSMTSA-N 2 0 322.880 2.661 20 0 DFADRP COCCCOc1ccc(C[NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)cc1 ZINC000287586824 427646953 /nfs/dbraw/zinc/64/69/53/427646953.db2.gz RJWLQEINJCKPNX-WBVHZDCISA-N 2 0 306.450 2.674 20 0 DFADRP C[C@H]1C[C@@H]([NH2+]Cc2nnc(C3CC[NH2+]CC3)[nH]2)CC(C)(C)C1 ZINC000333554741 427647611 /nfs/dbraw/zinc/64/76/11/427647611.db2.gz JZHWLSUMCLBIPY-GXTWGEPZSA-N 2 0 305.470 2.576 20 0 DFADRP C[C@H](C[NH+]1CCCCCC1)NC(=O)c1cccc(C[NH+](C)C)c1 ZINC000185423959 427652073 /nfs/dbraw/zinc/65/20/73/427652073.db2.gz ZUJOPRFLPDCUJX-MRXNPFEDSA-N 2 0 317.477 2.743 20 0 DFADRP C[C@H]1CC(C)(C)CC[C@@H]1[NH2+]Cc1nnc(C2CC[NH2+]CC2)[nH]1 ZINC000333647437 427666150 /nfs/dbraw/zinc/66/61/50/427666150.db2.gz YJCHSELCEHBBRF-JSGCOSHPSA-N 2 0 305.470 2.576 20 0 DFADRP C[C@@H]1C[N@H+](C)CC[C@@H]1NCc1ccc(OC(F)F)c(F)c1 ZINC000339066551 427656926 /nfs/dbraw/zinc/65/69/26/427656926.db2.gz FUYNYUUJYXZTCD-MFKMUULPSA-N 2 0 302.340 2.857 20 0 DFADRP C[C@H]([NH2+]Cc1ccncc1OCCC[NH+](C)C)[C@H]1CC1(C)C ZINC000342410387 272007161 /nfs/dbraw/zinc/00/71/61/272007161.db2.gz AXFDSRDNQSIBAA-GOEBONIOSA-N 2 0 305.466 2.936 20 0 DFADRP C[C@@H]1CC(C)(C)C[C@H]1[NH2+]Cc1ccncc1OCC[NH+](C)C ZINC000342413693 272007491 /nfs/dbraw/zinc/00/74/91/272007491.db2.gz IWTMZBCFNXLBOV-GDBMZVCRSA-N 2 0 305.466 2.936 20 0 DFADRP CC(C)[C@H](C(=O)N1C[C@H]([NH+]2CCCC2)C[C@H]1C)[NH+]1CCCCC1 ZINC000342749296 272049626 /nfs/dbraw/zinc/04/96/26/272049626.db2.gz YSGWLNHASVJWIP-KZNAEPCWSA-N 2 0 321.509 2.582 20 0 DFADRP CCCN(CC[NH+]1CCCCC1)C(=O)[C@@H]1CCC[N@@H+]1CCC ZINC000342787922 272053450 /nfs/dbraw/zinc/05/34/50/272053450.db2.gz OEDXRMQZDCTKKR-KRWDZBQOSA-N 2 0 309.498 2.585 20 0 DFADRP Cc1cccc(C)c1C[N@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@@H]21 ZINC000342928048 272066835 /nfs/dbraw/zinc/06/68/35/272066835.db2.gz PMNWLHRIMBMBTJ-NZSAHSFTSA-N 2 0 302.462 2.987 20 0 DFADRP C[C@H](C[NH2+][C@H]1CCc2ccc(Cl)cc21)N1CC[NH+](C)CC1 ZINC000343104988 272087061 /nfs/dbraw/zinc/08/70/61/272087061.db2.gz SQKPWNSLSVSTAI-DYVFJYSZSA-N 2 0 307.869 2.553 20 0 DFADRP C[C@H]1CN(C)C[C@@H]1[NH2+]Cc1ccc(C[NH+]2CCC(C)CC2)cc1 ZINC000343252812 272105116 /nfs/dbraw/zinc/10/51/16/272105116.db2.gz JSMJDNUBBTYNOA-PXNSSMCTSA-N 3 0 315.505 2.958 20 0 DFADRP C[N@H+](CCCc1ccc2c(c1)CCO2)C[C@H]1CCC[NH+](C)C1 ZINC000193239720 427676750 /nfs/dbraw/zinc/67/67/50/427676750.db2.gz AQGYUINXPDATNH-QGZVFWFLSA-N 2 0 302.462 2.828 20 0 DFADRP C[C@H]1CN(C)C[C@H]1[NH2+]Cc1ccccc1C[N@@H+]1CCC[C@@H](C)C1 ZINC000343494086 272158717 /nfs/dbraw/zinc/15/87/17/272158717.db2.gz IURFFSUAJZHCKI-FUHIMQAGSA-N 2 0 315.505 2.958 20 0 DFADRP C[C@@H]1CN(C)C[C@H]1[NH2+]Cc1ccccc1C[N@@H+]1CCC[C@@H](C)C1 ZINC000343494088 272158884 /nfs/dbraw/zinc/15/88/84/272158884.db2.gz IURFFSUAJZHCKI-MBOZVWFJSA-N 2 0 315.505 2.958 20 0 DFADRP C[C@H]([NH2+]CC1=CCCOC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272218235 427675952 /nfs/dbraw/zinc/67/59/52/427675952.db2.gz RMJYHPVYMQDUOI-LPHOPBHVSA-N 2 0 300.446 2.833 20 0 DFADRP Cc1ccc(NC(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)c(C[NH+](C)C)c1 ZINC000343684731 272200983 /nfs/dbraw/zinc/20/09/83/272200983.db2.gz UJAYBKGFHCPJDM-GASCZTMLSA-N 2 0 303.450 2.868 20 0 DFADRP C[C@@H]1CCC[C@@H](C[N@@H+]2CCN(C3CC[NH+](C)CC3)[C@H](C)C2)C1 ZINC000343720479 272208038 /nfs/dbraw/zinc/20/80/38/272208038.db2.gz VFRVHNIEIONIPF-KZNAEPCWSA-N 2 0 307.526 2.913 20 0 DFADRP C[NH+](C)CCOc1cnccc1C[NH2+][C@@H]1CCC[C@H]2C[C@]21C ZINC000343985923 272247197 /nfs/dbraw/zinc/24/71/97/272247197.db2.gz MXCBZIOLQPRONO-CGTJXYLNSA-N 2 0 303.450 2.690 20 0 DFADRP CCC[N@@H+](CCc1ccccc1F)CCN1CC[NH+](CC)CC1 ZINC000344121159 272267482 /nfs/dbraw/zinc/26/74/82/272267482.db2.gz DOYPVTZRZHYSDM-UHFFFAOYSA-N 2 0 321.484 2.718 20 0 DFADRP CCC[N@H+](CCN1CC[NH+](CC)CC1)Cc1cc(F)ccc1C ZINC000344121951 272267852 /nfs/dbraw/zinc/26/78/52/272267852.db2.gz FMGGLLJDLPFZDW-UHFFFAOYSA-N 2 0 321.484 2.984 20 0 DFADRP CCC[N@@H+](CCc1ccccc1)CCN1CC[NH+](CC)CC1 ZINC000344124504 272269173 /nfs/dbraw/zinc/26/91/73/272269173.db2.gz GBHXZWQATMATGN-UHFFFAOYSA-N 2 0 303.494 2.579 20 0 DFADRP C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC000344219770 272290139 /nfs/dbraw/zinc/29/01/39/272290139.db2.gz ZNLAUDGITTXZKA-YVSFHVDLSA-N 2 0 323.525 2.589 20 0 DFADRP COc1cc(F)c([C@H](C)[NH2+]CC2=CC[N@H+](C)CC2)cc1OC ZINC000344290647 272305058 /nfs/dbraw/zinc/30/50/58/272305058.db2.gz CENOAIYNFXMTGX-LBPRGKRZSA-N 2 0 308.397 2.755 20 0 DFADRP CCN1C[C@H](C)[C@H]([NH2+][C@H]2CCCN(c3cccc(OC)c3)C2)C1 ZINC000344368465 272321590 /nfs/dbraw/zinc/32/15/90/272321590.db2.gz CBJUJGXXNMNGIP-TXPKVOOTSA-N 2 0 317.477 2.594 20 0 DFADRP CCN1C[C@H](C)[C@H]([NH2+][C@@H]2CCCN(c3cccc(OC)c3)C2)C1 ZINC000344368461 272321763 /nfs/dbraw/zinc/32/17/63/272321763.db2.gz CBJUJGXXNMNGIP-FRQCXROJSA-N 2 0 317.477 2.594 20 0 DFADRP C[C@H](c1ccccc1)[NH+]1CCC(N[C@H]2C[N@H+](C)C[C@H]2C)CC1 ZINC000344374055 272323335 /nfs/dbraw/zinc/32/33/35/272323335.db2.gz SXVSXBSKAOWXLJ-MDZRGWNJSA-N 2 0 301.478 2.752 20 0 DFADRP CC(C)[NH+]1CCC(O)(C[NH2+][C@H](C)CCc2ccccc2F)CC1 ZINC000344725768 272361985 /nfs/dbraw/zinc/36/19/85/272361985.db2.gz BHJMBMYOJONKGP-MRXNPFEDSA-N 2 0 322.468 2.972 20 0 DFADRP CC[NH+](CC)C[C@H]1CCCC[C@H]1[NH2+]Cc1ccc(C(N)=O)cc1 ZINC000344814271 272372923 /nfs/dbraw/zinc/37/29/23/272372923.db2.gz JJKMMHDVCONLSF-QZTJIDSGSA-N 2 0 317.477 2.776 20 0 DFADRP C[C@H]([NH2+]C1CCN(C)CC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272270103 427690816 /nfs/dbraw/zinc/69/08/16/427690816.db2.gz BCZCWBDVRREMFY-FUHWJXTLSA-N 2 0 301.478 2.581 20 0 DFADRP CC[C@H](NCC1([NH3+])C2CC3CC(C2)CC1C3)[C@@H]1CCCC[NH2+]1 ZINC000333833512 427697137 /nfs/dbraw/zinc/69/71/37/427697137.db2.gz MYKNWEMOSSUBQX-AVGKFFPGSA-N 2 0 305.510 2.650 20 0 DFADRP Cc1ccccc1[C@H]([NH3+])C(=O)NCCCCC[NH+]1CCCCC1 ZINC000295142409 427710013 /nfs/dbraw/zinc/71/00/13/427710013.db2.gz IWRASIVBRWLROZ-SFHVURJKSA-N 2 0 317.477 2.767 20 0 DFADRP Cc1cc(Cl)cc(C[NH2+][C@@H](C)CCN2CC[NH+](C)CC2)c1 ZINC000339362080 427760257 /nfs/dbraw/zinc/76/02/57/427760257.db2.gz ROOZHEQYAZHSDM-HNNXBMFYSA-N 2 0 309.885 2.764 20 0 DFADRP CC[NH+](CC)CCSCc1nc([C@H]([NH3+])CC(C)C)no1 ZINC000339387238 427765366 /nfs/dbraw/zinc/76/53/66/427765366.db2.gz JBSDGRSQSLIKBA-GFCCVEGCSA-N 2 0 300.472 2.691 20 0 DFADRP C[C@@H](C(=O)NC[C@@H](c1ccsc1)[NH+](C)C)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000299684760 427767020 /nfs/dbraw/zinc/76/70/20/427767020.db2.gz SFQIFRWKFZKPBV-FQLMCAECSA-N 2 0 323.506 2.728 20 0 DFADRP Cc1noc(CCC[NH+]2CCC(CCC[NH+]3CCCC3)CC2)n1 ZINC000336871912 427769011 /nfs/dbraw/zinc/76/90/11/427769011.db2.gz OBZXQJFYKBNPPK-UHFFFAOYSA-N 2 0 320.481 2.899 20 0 DFADRP CC[C@@H](C)[N@H+](C)CCNC(=O)[C@@H](CC)[NH+](C)Cc1ccccc1 ZINC000339418245 427770908 /nfs/dbraw/zinc/77/09/08/427770908.db2.gz BNTRPGLJHYDFSC-SJLPKXTDSA-N 2 0 319.493 2.744 20 0 DFADRP CCN(CCC[N@@H+]1CC[C@]2(C1)CCC[NH+](C)C2)CC(F)(F)F ZINC000339427688 427772417 /nfs/dbraw/zinc/77/24/17/427772417.db2.gz JGNAOOPJYNZONK-OAHLLOKOSA-N 2 0 321.431 2.678 20 0 DFADRP C[C@@H]1CC(C)(C)C[C@H]1[NH2+]C[C@H](O)CN1CCc2ccccc2C1 ZINC000339546563 427791378 /nfs/dbraw/zinc/79/13/78/427791378.db2.gz VTQZERPAVYAULZ-AYOQOUSVSA-N 2 0 316.489 2.820 20 0 DFADRP CC1(C)CCC[C@@H]([NH2+]C[C@@H](O)CN2CCc3ccccc3C2)C1 ZINC000339549035 427791514 /nfs/dbraw/zinc/79/15/14/427791514.db2.gz POMCJSYAAYASRA-RTBURBONSA-N 2 0 316.489 2.964 20 0 DFADRP COc1cc2[nH+]ccc(N3C[C@@H](C)[C@H]([NH+](C)C)C3)c2cc1OC ZINC000299029093 427741016 /nfs/dbraw/zinc/74/10/16/427741016.db2.gz TUTQDZHTWROJQG-MLGOLLRUSA-N 2 0 315.417 2.638 20 0 DFADRP CC1CC[NH+](CCNC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)CC1 ZINC000339263737 427744758 /nfs/dbraw/zinc/74/47/58/427744758.db2.gz JZMHEJLXTUGHRT-GOSISDBHSA-N 2 0 321.509 2.632 20 0 DFADRP C[C@H]([NH2+][C@@H]1C[C@@H](O)C1(C)C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000336657495 427745831 /nfs/dbraw/zinc/74/58/31/427745831.db2.gz SAAGRGNFMNHMDF-DZJNRPSUSA-N 2 0 302.462 2.646 20 0 DFADRP COc1ccc([C@H](C)[NH2+]C[C@@H](C)C[NH3+])cc1Br ZINC000336699262 427749303 /nfs/dbraw/zinc/74/93/03/427749303.db2.gz JJBBYDTZYUYSRT-UWVGGRQHSA-N 2 0 301.228 2.703 20 0 DFADRP CC(C)[C@@H](Cn1cccn1)[NH2+]CCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000340472563 427857481 /nfs/dbraw/zinc/85/74/81/427857481.db2.gz DMHYPZSNXPKASF-KZNAEPCWSA-N 2 0 306.498 2.865 20 0 DFADRP CCc1cc(N2CC[N@H+](C[C@@H](C)O)[C@@H](C)C2)c2ccccc2[nH+]1 ZINC000301802689 427825423 /nfs/dbraw/zinc/82/54/23/427825423.db2.gz UAKOTIYPPOLMQP-LSDHHAIUSA-N 2 0 313.445 2.689 20 0 DFADRP Cc1nc([C@H](C)[NH2+]CCCN2CC[NH+](C(C)C)CC2)cs1 ZINC000337328258 427845373 /nfs/dbraw/zinc/84/53/73/427845373.db2.gz YIKRCPWBNMVNOR-AWEZNQCLSA-N 2 0 310.511 2.518 20 0 DFADRP CN1CCC[C@H]1C[NH2+]Cc1ccccc1OCc1ccncc1 ZINC000340437636 427847129 /nfs/dbraw/zinc/84/71/29/427847129.db2.gz VIGHQUSLIFFBAZ-SFHVURJKSA-N 2 0 311.429 2.844 20 0 DFADRP CN(C)c1ccccc1C[N@@H+]1CC[C@@H](C2CC[NH+](C)CC2)C1 ZINC000339845791 427847936 /nfs/dbraw/zinc/84/79/36/427847936.db2.gz JAHOGKPYFSSLIK-QGZVFWFLSA-N 2 0 301.478 2.916 20 0 DFADRP CC[C@@H]1CN(c2nc(C)cc3ccccc32)CC[N@@H+]1C[C@@H](C)O ZINC000302041572 427849016 /nfs/dbraw/zinc/84/90/16/427849016.db2.gz LPPFXVVWGHZTOD-NVXWUHKLSA-N 2 0 313.445 2.825 20 0 DFADRP CC[NH+](CC)CCOCC[NH2+][C@H](C)c1cc(F)ccc1F ZINC000349722288 427849323 /nfs/dbraw/zinc/84/93/23/427849323.db2.gz NVIVHCIZPYEYNU-CYBMUJFWSA-N 2 0 300.393 2.974 20 0 DFADRP CCc1c(C)[nH+]c2ccccc2c1N1C[C@H]2OCC[N@H+](C)[C@@H]2C1 ZINC000302075797 427850135 /nfs/dbraw/zinc/85/01/35/427850135.db2.gz XVMATNCMLBALHW-QZTJIDSGSA-N 2 0 311.429 2.625 20 0 DFADRP C[NH+]1CCC(C)(C[NH2+][C@H](c2ccccc2)c2cncnc2)CC1 ZINC000349716748 427850371 /nfs/dbraw/zinc/85/03/71/427850371.db2.gz AJLCXGQXTPELAC-GOSISDBHSA-N 2 0 310.445 2.888 20 0 DFADRP CC(C)[NH+]1CCN(CCC[N@@H+]2CC[C@@H](CC(F)(F)F)C2)CC1 ZINC000337353549 427860476 /nfs/dbraw/zinc/86/04/76/427860476.db2.gz AIHPSYVAIMWABY-HNNXBMFYSA-N 2 0 321.431 2.677 20 0 DFADRP Cc1ccc(C)c2c1CCC[C@@H]2[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000349810485 427869256 /nfs/dbraw/zinc/86/92/56/427869256.db2.gz BUXNWNOKHGFOLB-AEFFLSMTSA-N 2 0 302.462 2.727 20 0 DFADRP Cc1ccc(C[NH+](C)C)cc1NC(=O)c1ccc2c[nH+]cn2c1 ZINC000339911762 427872170 /nfs/dbraw/zinc/87/21/70/427872170.db2.gz PCMIMOSILIXHJI-UHFFFAOYSA-N 2 0 308.385 2.957 20 0 DFADRP C[C@@H]1C[C@H](C)C[N@@H+](CCC[NH2+][C@@H]2[C@@H]3CCO[C@H]3C23CCC3)C1 ZINC000340517975 427873185 /nfs/dbraw/zinc/87/31/85/427873185.db2.gz OZWVFRDXBJXSTR-IGKNDFSCSA-N 2 0 306.494 2.902 20 0 DFADRP C[N@H+](CCCNC(=O)[C@H]1CCCC[C@]1(C)[NH3+])C1CCCCC1 ZINC000345713857 427873803 /nfs/dbraw/zinc/87/38/03/427873803.db2.gz LHXJLQFTFJULOJ-AEFFLSMTSA-N 2 0 309.498 2.665 20 0 DFADRP COCCCOc1cccc(C[N@@H+]2CCC3(C2)CC[NH2+]CC3)c1 ZINC000340678358 427925464 /nfs/dbraw/zinc/92/54/64/427925464.db2.gz IRAYVYAMHUGQDY-UHFFFAOYSA-N 2 0 318.461 2.677 20 0 DFADRP COc1cc(C)c(C[C@H](C)[NH2+][C@@H](C)CC[NH+](C)C)cc1OC ZINC000337380532 427874843 /nfs/dbraw/zinc/87/48/43/427874843.db2.gz IYTFJPOXKMHHRZ-GJZGRUSLSA-N 2 0 308.466 2.873 20 0 DFADRP C[C@@H]1C[N@@H+](CCN(C)c2cc[nH+]c3cc(F)ccc32)C[C@H](C)O1 ZINC000302852122 427877313 /nfs/dbraw/zinc/87/73/13/427877313.db2.gz JFNOCNPDUCHNRV-OKILXGFUSA-N 2 0 317.408 2.919 20 0 DFADRP CC[NH+](CC)[C@H](CNC(=O)C[NH+]1[C@@H](C)CC[C@@H]1C)CC(C)C ZINC000345730924 427879807 /nfs/dbraw/zinc/87/98/07/427879807.db2.gz ZZRSWHCJGCJRAP-ULQDDVLXSA-N 2 0 311.514 2.732 20 0 DFADRP Cc1cc(C[NH+](C)C)cc(NC(=O)c2ccc3c[nH+]cn3c2)c1 ZINC000339944395 427881582 /nfs/dbraw/zinc/88/15/82/427881582.db2.gz NNQFWXZHHOHCIC-UHFFFAOYSA-N 2 0 308.385 2.957 20 0 DFADRP C[C@@H]([NH2+]Cc1ccc(OCCC[NH+](C)C)cc1)[C@H]1CCCOC1 ZINC000355774603 427886812 /nfs/dbraw/zinc/88/68/12/427886812.db2.gz OOKCNFCPGCZPGW-AEFFLSMTSA-N 2 0 320.477 2.922 20 0 DFADRP CC(C)[C@H](C(=O)NCC[C@@H](C)[NH+]1CCCCC1)[NH+]1CCCCC1 ZINC000345759659 427892674 /nfs/dbraw/zinc/89/26/74/427892674.db2.gz ZHUTUNYFQLHIDC-QZTJIDSGSA-N 2 0 323.525 2.878 20 0 DFADRP CC[C@H](C)[NH2+][C@H](CNC(=O)[C@H](C)[NH2+]C(C)(C)CC)c1ccco1 ZINC000359543515 427902580 /nfs/dbraw/zinc/90/25/80/427902580.db2.gz NCBKGMBKJLSYFO-SOUVJXGZSA-N 2 0 323.481 2.992 20 0 DFADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)CC1CCCCC1 ZINC000346621461 272660645 /nfs/dbraw/zinc/66/06/45/272660645.db2.gz LZCWDUAFBXTXGS-SFHVURJKSA-N 2 0 323.525 2.831 20 0 DFADRP CCC[C@H](C(=O)NC[C@H]([NH2+][C@H](C)CC)c1ccco1)[NH+](C)C ZINC000359551138 427904606 /nfs/dbraw/zinc/90/46/06/427904606.db2.gz ZMWSGOVNSLUNGG-QLFBSQMISA-N 2 0 309.454 2.555 20 0 DFADRP C[C@@H](C(=O)N1C[C@H](C)C[C@@H](C)C1)[NH+]1CCC(CC[NH+](C)C)CC1 ZINC000340636858 427911645 /nfs/dbraw/zinc/91/16/45/427911645.db2.gz ZHTPIGAZEHJDNX-ZACQAIPSSA-N 2 0 323.525 2.543 20 0 DFADRP Fc1ccc(/C=C\C[N@@H+]2CC[C@@H](CN3CCOCC3)C2)c(F)c1 ZINC000349972419 427912610 /nfs/dbraw/zinc/91/26/10/427912610.db2.gz KCXBZODTYJGTHD-DJYNDVHFSA-N 2 0 322.399 2.632 20 0 DFADRP C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)[C@H]1CCCC[C@@]1(C)[NH3+] ZINC000345825065 427921333 /nfs/dbraw/zinc/92/13/33/427921333.db2.gz VRWJCJBPTLIVLE-JFIYKMOQSA-N 2 0 309.498 2.665 20 0 DFADRP CC[NH+](CC)CC1CCN(C(=O)[C@@H](C)[NH2+]C(C)(C)CC)CC1 ZINC000355932254 427954462 /nfs/dbraw/zinc/95/44/62/427954462.db2.gz APNNBYRYPVLFQY-OAHLLOKOSA-N 2 0 311.514 2.734 20 0 DFADRP C[C@@H]([NH2+]C[C@H](C)N1CC[NH+](C)CC1)c1cccc(C2CC2)c1 ZINC000340227876 427958172 /nfs/dbraw/zinc/95/81/72/427958172.db2.gz FQQKXRQWJRCUDU-JKSUJKDBSA-N 2 0 301.478 2.851 20 0 DFADRP COc1ccc(OC)c(CNCc2cnc3n2CCCC3)c1 ZINC000376769940 427995365 /nfs/dbraw/zinc/99/53/65/427995365.db2.gz WTZLUOXGMHYJEJ-UHFFFAOYSA-N 2 0 301.390 2.526 20 0 DFADRP C[C@H]1[C@H]([NH2+]CC2CC[NH+](C)CC2)CCCN1Cc1ccccc1 ZINC000340228656 427961401 /nfs/dbraw/zinc/96/14/01/427961401.db2.gz LYRNPXFFYGTTCH-FXAWDEMLSA-N 2 0 315.505 2.971 20 0 DFADRP C[C@@H]1[C@@H]([NH2+]CC2CC[NH+](C)CC2)CCCN1Cc1ccccc1 ZINC000340228660 427961670 /nfs/dbraw/zinc/96/16/70/427961670.db2.gz LYRNPXFFYGTTCH-XLIONFOSSA-N 2 0 315.505 2.971 20 0 DFADRP CC(C)[C@@H](C[NH2+][C@H](C)c1ccc(Cl)cn1)N1CC[NH+](C)CC1 ZINC000359662339 427962211 /nfs/dbraw/zinc/96/22/11/427962211.db2.gz JRLKLZHWTTVYQI-RHSMWYFYSA-N 2 0 324.900 2.658 20 0 DFADRP CC[N@@H+]1C[C@H](C)[C@H](N[C@H](C[NH+]2CCCC2)c2ccccc2)C1 ZINC000359662554 427962915 /nfs/dbraw/zinc/96/29/15/427962915.db2.gz RMBKJPPBADGNDT-QXAKKESOSA-N 2 0 301.478 2.753 20 0 DFADRP CC[N@H+]1C[C@H](N[C@H](C[NH+]2CCCC2)c2ccccc2)[C@@H](C)C1 ZINC000359662558 427964003 /nfs/dbraw/zinc/96/40/03/427964003.db2.gz RMBKJPPBADGNDT-YTQUADARSA-N 2 0 301.478 2.753 20 0 DFADRP C[C@@H]1C[C@H](N[C@H]2CC[NH+](C)[C@H](c3ccccc3)C2)CC[N@@H+]1C ZINC000340262698 427971018 /nfs/dbraw/zinc/97/10/18/427971018.db2.gz ZVHDSLNOBZWRGE-YSHGAJCASA-N 2 0 301.478 2.894 20 0 DFADRP C[NH+](C)C1CCN(CC[NH2+]Cc2ccsc2Cl)CC1 ZINC000359735387 427995990 /nfs/dbraw/zinc/99/59/90/427995990.db2.gz XWGLMOMMLCKJMZ-UHFFFAOYSA-N 2 0 301.887 2.517 20 0 DFADRP CCC[NH+]1CCC(N(C)C(=O)[C@H](C)[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000413205264 427991359 /nfs/dbraw/zinc/99/13/59/427991359.db2.gz AUYKHHUJXLMRGT-XHSDSOJGSA-N 2 0 309.498 2.581 20 0 DFADRP CC[C@H](C(=O)N(CC[NH+](C)C)c1ccccc1)[NH+](CC)CC ZINC000359596869 427929248 /nfs/dbraw/zinc/92/92/48/427929248.db2.gz OXDRVFKXURXPMU-QGZVFWFLSA-N 2 0 305.466 2.702 20 0 DFADRP CCc1nn(C)c(CC)c1C[NH+]1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000347194263 272744418 /nfs/dbraw/zinc/74/44/18/272744418.db2.gz GQNRSGBCKIALFP-QGZVFWFLSA-N 2 0 304.482 2.509 20 0 DFADRP CC(C)N(CC[NH+]1CCCCCC1)C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000345889069 427940633 /nfs/dbraw/zinc/94/06/33/427940633.db2.gz QCKRLAMUXOQAKI-ROUUACIJSA-N 2 0 323.525 2.830 20 0 DFADRP C[N@@H+]1CC[C@H](NCCC[NH+]2CCCC2)C[C@H]1c1ccccc1 ZINC000340183133 427948450 /nfs/dbraw/zinc/94/84/50/427948450.db2.gz VFULALGSNKKQKB-OALUTQOASA-N 2 0 301.478 2.897 20 0 DFADRP O[C@@H](C[NH2+]C1CC[NH+](C2CCCC2)CC1)c1ccc(F)cc1 ZINC000305068451 427950950 /nfs/dbraw/zinc/95/09/50/427950950.db2.gz JZJMBNMOXLWBSJ-SFHVURJKSA-N 2 0 306.425 2.856 20 0 DFADRP CSC1(C[NH2+]C2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)CCC1 ZINC000356121827 428031003 /nfs/dbraw/zinc/03/10/03/428031003.db2.gz KSBMWDUACSBXEM-CVEARBPZSA-N 2 0 312.523 2.630 20 0 DFADRP CC[C@H]1C[N@H+](CCCCn2ccnc2C)C[C@@]2(CCCOC2)O1 ZINC000369714882 428040274 /nfs/dbraw/zinc/04/02/74/428040274.db2.gz MOOXGVWEQKKGTF-ZWKOTPCHSA-N 2 0 321.465 2.632 20 0 DFADRP CC[NH+](CC)CCCC1CC[NH+](CC(=O)N(C)CC2CC2)CC1 ZINC000359853585 428047081 /nfs/dbraw/zinc/04/70/81/428047081.db2.gz WGSQZOBIJMAWHB-UHFFFAOYSA-N 2 0 323.525 2.689 20 0 DFADRP CC(C)CN(C(=O)[C@H](C)[N@H+]1[C@H](C)CC[C@@H]1C)C1CC[NH+](C)CC1 ZINC000413460364 428054068 /nfs/dbraw/zinc/05/40/68/428054068.db2.gz UBQBNQCEIQBTHK-BBWFWOEESA-N 2 0 323.525 2.827 20 0 DFADRP Cn1cc2c(n1)CCC[C@@H]2[NH2+]C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000377093179 428054892 /nfs/dbraw/zinc/05/48/92/428054892.db2.gz JOWQHELUSCFFJM-MJGOQNOKSA-N 2 0 324.472 2.909 20 0 DFADRP C[C@H]([NH2+][C@@H]1CCO[C@@H]1C1CC1)c1cccc(OCC[NH+](C)C)c1 ZINC000359876563 428057680 /nfs/dbraw/zinc/05/76/80/428057680.db2.gz OOISVLNURQOEGA-GDIGMMSISA-N 2 0 318.461 2.845 20 0 DFADRP C[C@H]([NH2+][C@H]1CCO[C@@H]1C1CC1)c1cccc(OCC[NH+](C)C)c1 ZINC000359876575 428058637 /nfs/dbraw/zinc/05/86/37/428058637.db2.gz OOISVLNURQOEGA-ZOCIIQOWSA-N 2 0 318.461 2.845 20 0 DFADRP C[C@H]1[C@H]([NH2+]CC2(CCO)CC2)CCCN1Cc1ccccc1 ZINC000340358335 427997741 /nfs/dbraw/zinc/99/77/41/427997741.db2.gz NMYSXLOTLZQAFN-FUHWJXTLSA-N 2 0 302.462 2.792 20 0 DFADRP CC[C@H]([NH2+][C@H]1CCCN(C)[C@H]1C)c1ccc(C(=O)OC)cc1 ZINC000340361993 427998569 /nfs/dbraw/zinc/99/85/69/427998569.db2.gz SMZOAMGZSKHXPB-JQFCIGGWSA-N 2 0 304.434 2.997 20 0 DFADRP CC(C)[C@@H](C(=O)N1CC[C@@H]([NH+]2CCCCC2)C1)[NH+]1CCCCC1 ZINC000341188179 428007311 /nfs/dbraw/zinc/00/73/11/428007311.db2.gz LLJPWQMOFIHSRS-MSOLQXFVSA-N 2 0 321.509 2.584 20 0 DFADRP C[C@@H]1C[C@H](NC[C@@H]2CC[NH+](C)[C@H]2c2ccccc2)CC[N@@H+]1C ZINC000369851614 428076140 /nfs/dbraw/zinc/07/61/40/428076140.db2.gz KFIOUIATGOGDEN-LULLPPNCSA-N 2 0 301.478 2.752 20 0 DFADRP C[C@H]([NH2+][C@@H]1CCN(C2CC[NH+](C)CC2)C1)c1ccc(F)c(F)c1 ZINC000369880445 428081216 /nfs/dbraw/zinc/08/12/16/428081216.db2.gz AWPWHURNWNBNOQ-DZGCQCFKSA-N 2 0 323.431 2.784 20 0 DFADRP CC(C)[C@H](C(=O)Nc1cccc(CC[N@H+](C)C2CC2)c1)[NH+](C)C ZINC000341522948 428090615 /nfs/dbraw/zinc/09/06/15/428090615.db2.gz HHDCEWMLIIFXCG-GOSISDBHSA-N 2 0 317.477 2.848 20 0 DFADRP CCCCOc1ccc(C[NH2+]C2(CCO)CCN(C)CC2)cc1 ZINC000351504901 428095109 /nfs/dbraw/zinc/09/51/09/428095109.db2.gz XYQHZGWTKSCGML-UHFFFAOYSA-N 2 0 320.477 2.802 20 0 DFADRP CC(C)(O)CC[N@@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000377316230 428104892 /nfs/dbraw/zinc/10/48/92/428104892.db2.gz LKAZBABXRVOXOZ-ZWKOTPCHSA-N 2 0 302.462 2.601 20 0 DFADRP c1ccc(C[N@H+]2CCC[C@H](C[NH2+]CC3=CCCOC3)C2)cc1 ZINC000359991330 428108109 /nfs/dbraw/zinc/10/81/09/428108109.db2.gz DHIKHBAJFAZJDS-GOSISDBHSA-N 2 0 300.446 2.835 20 0 DFADRP CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)[C@H]1CCC[C@H]([NH3+])C1 ZINC000346288101 428109323 /nfs/dbraw/zinc/10/93/23/428109323.db2.gz PBTHXAWPCZHUQN-ROUUACIJSA-N 2 0 317.477 2.614 20 0 DFADRP C[C@@H]([NH3+])[C@H]1CC[N@H+](Cc2ccc(OCc3cccnc3)cc2)C1 ZINC000351859708 428113337 /nfs/dbraw/zinc/11/33/37/428113337.db2.gz GWVKFFCAFKDHCK-QAPCUYQASA-N 2 0 311.429 2.830 20 0 DFADRP CCC[NH+]1CCC([N@H+](C)CCc2ccc3c(c2)OCCO3)CC1 ZINC000360017844 428119888 /nfs/dbraw/zinc/11/98/88/428119888.db2.gz SEGJFQVGSHBNPL-UHFFFAOYSA-N 2 0 318.461 2.807 20 0 DFADRP CC(C)(O)C[N@@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000370056813 428123382 /nfs/dbraw/zinc/12/33/82/428123382.db2.gz SLUSTDWZBSKYCR-IBGZPJMESA-N 2 0 302.462 2.745 20 0 DFADRP CC[N@@H+]1CC[C@@H]([NH+](C)CCc2ccccc2C(=O)OC)C[C@@H]1C ZINC000359888654 428063062 /nfs/dbraw/zinc/06/30/62/428063062.db2.gz UWFDVFLYKQKLQG-DOTOQJQBSA-N 2 0 318.461 2.820 20 0 DFADRP C[C@@H]1[C@H]([NH2+][C@@H]2CCCN(Cc3ccccc3)C2)CCCN1C ZINC000346344364 428134237 /nfs/dbraw/zinc/13/42/37/428134237.db2.gz WIRYYGWCUOINED-BHIYHBOVSA-N 2 0 301.478 2.723 20 0 DFADRP CCN(CC[NH+]1CCCCCC1)C(=O)[C@@H](C)[NH2+]C(C)(C)CC ZINC000346356495 428140948 /nfs/dbraw/zinc/14/09/48/428140948.db2.gz UZJKXJIINGLJHY-MRXNPFEDSA-N 2 0 311.514 2.878 20 0 DFADRP CC(=O)Nc1ccc(C[N@H+](CCC[NH3+])CC2CCCC2)cc1 ZINC000352540284 428141253 /nfs/dbraw/zinc/14/12/53/428141253.db2.gz JDLXMNJVSMVREP-UHFFFAOYSA-N 2 0 303.450 2.986 20 0 DFADRP Cc1ccc(C[N@@H+]2CCC[C@]3(CC[NH2+]C3)C2)c(-c2ccnn2C)c1 ZINC000352544418 428144983 /nfs/dbraw/zinc/14/49/83/428144983.db2.gz AJGFEHVDWFTDAN-HXUWFJFHSA-N 2 0 324.472 2.971 20 0 DFADRP Cn1cc(CN2CCC[C@]3(CC[NH2+]C3)C2)c(-c2cccs2)n1 ZINC000352546039 428145162 /nfs/dbraw/zinc/14/51/62/428145162.db2.gz OMSVMHXCFGTGQU-QGZVFWFLSA-N 2 0 316.474 2.724 20 0 DFADRP C[N@@H+]1CC[C@H](CNC(=[NH2+])N2CCCCC2)[C@H]1c1cccs1 ZINC000370160085 428147351 /nfs/dbraw/zinc/14/73/51/428147351.db2.gz FNLRGJMJXBCGQC-HIFRSBDPSA-N 2 0 306.479 2.751 20 0 DFADRP C[C@@H]1CCCC[C@@H]1C[N@@H+]1CCC[C@H](CN2CC[NH+](C)CC2)C1 ZINC000377623454 428174141 /nfs/dbraw/zinc/17/41/41/428174141.db2.gz JLNXYIFPNSZPOR-GUDVDZBRSA-N 2 0 307.526 2.772 20 0 DFADRP COc1ccc(C[C@@H](C)[NH2+]C[C@H]2CCC[N@H+](CC(C)C)C2)cn1 ZINC000414097467 428205967 /nfs/dbraw/zinc/20/59/67/428205967.db2.gz JCCQGVWQDSNWIC-SJLPKXTDSA-N 2 0 319.493 2.979 20 0 DFADRP CCC[C@H]([NH2+]C(C)C)C(=O)N[C@H](C[NH+](C)C)c1ccc(F)cc1 ZINC000360212741 428206425 /nfs/dbraw/zinc/20/64/25/428206425.db2.gz KTTWKJIBGMJAJM-DLBZAZTESA-N 2 0 323.456 2.711 20 0 DFADRP C[C@@H]([NH2+]Cc1ccccc1C[N@@H+]1CCC[C@@H]1CO)[C@H]1C[C@H]1C ZINC000414110815 428208697 /nfs/dbraw/zinc/20/86/97/428208697.db2.gz ORJICROOVAIBDW-RGCFKVTRSA-N 2 0 302.462 2.777 20 0 DFADRP C[C@H]([NH2+]CCCC[NH+](C)C)c1cccc(N2CCCC2=O)c1 ZINC000341806066 428209538 /nfs/dbraw/zinc/20/95/38/428209538.db2.gz IPJFVBMGESRTRV-HNNXBMFYSA-N 2 0 303.450 2.806 20 0 DFADRP C[C@H](CCC1CC1)[NH2+]CCCN1CCN(c2cc[nH+]cc2)CC1 ZINC000346552244 428216109 /nfs/dbraw/zinc/21/61/09/428216109.db2.gz FDIVGLAPGMSSIE-QGZVFWFLSA-N 2 0 316.493 2.762 20 0 DFADRP CN(C)Cc1cnc(CNCc2cccc3cc[nH]c32)s1 ZINC000352710309 428216431 /nfs/dbraw/zinc/21/64/31/428216431.db2.gz IVAQOEBADYDQQW-UHFFFAOYSA-N 2 0 300.431 2.976 20 0 DFADRP C[N@@H+]1CC[C@@H](C[NH2+]Cc2ccc(C(N)=O)cc2)[C@@H]1c1ccccc1 ZINC000377761224 428219327 /nfs/dbraw/zinc/21/93/27/428219327.db2.gz LXIRMNUDDPXZOW-OALUTQOASA-N 2 0 323.440 2.568 20 0 DFADRP CCC(C)(C)[NH2+][C@H](C)C(=O)N[C@H](C)C[N@H+](C)Cc1ccccc1 ZINC000356528274 428219341 /nfs/dbraw/zinc/21/93/41/428219341.db2.gz BIZQMTNAVUXEAX-HZPDHXFCSA-N 2 0 319.493 2.790 20 0 DFADRP Cc1ccc(C[C@H]([NH2+]C[C@@H](O)C[NH+]2CCCC2)C(C)C)cc1 ZINC000360244099 428219515 /nfs/dbraw/zinc/21/95/15/428219515.db2.gz ZJOYJXWSZOXICK-MOPGFXCFSA-N 2 0 304.478 2.608 20 0 DFADRP C[N@@H+]1CC[C@H](C[NH2+]Cc2ccc(C(N)=O)cc2)[C@H]1c1ccccc1 ZINC000377761227 428220545 /nfs/dbraw/zinc/22/05/45/428220545.db2.gz LXIRMNUDDPXZOW-RTBURBONSA-N 2 0 323.440 2.568 20 0 DFADRP CC[C@H]([NH2+]CC1CC[NH+](CCN(C)C)CC1)c1ccc(F)cn1 ZINC000352722046 428221040 /nfs/dbraw/zinc/22/10/40/428221040.db2.gz NLUWVCRJCFORHO-KRWDZBQOSA-N 2 0 322.472 2.535 20 0 DFADRP C[N@@H+]1CCC[C@H](CC[NH2+][C@H](c2ccccc2)c2ccncn2)C1 ZINC000414169066 428221256 /nfs/dbraw/zinc/22/12/56/428221256.db2.gz AWVHEDMXIYPDHJ-VQIMIIECSA-N 2 0 310.445 2.888 20 0 DFADRP C[C@@H]([NH2+]CC[C@H]1CCC[N@H+](C)C1)c1ccccc1-n1ccnn1 ZINC000414168616 428221776 /nfs/dbraw/zinc/22/17/76/428221776.db2.gz AODBIGINGVXNLG-HZPDHXFCSA-N 2 0 313.449 2.650 20 0 DFADRP CC[C@H](Cc1ccccc1)[NH2+]CC1(O)CC[NH+](C(C)C)CC1 ZINC000360245383 428222640 /nfs/dbraw/zinc/22/26/40/428222640.db2.gz OAHLPZJQIOYREX-GOSISDBHSA-N 2 0 304.478 2.833 20 0 DFADRP C[C@H]([NH2+]CC[C@@H]1CCC[N@H+](C)C1)c1ccc2c(c1)OCCO2 ZINC000414172879 428224161 /nfs/dbraw/zinc/22/41/61/428224161.db2.gz FQZPRYYVWGHZRK-GJZGRUSLSA-N 2 0 304.434 2.840 20 0 DFADRP C[C@H]([NH2+]CC[C@H]1CCC[N@H+](C)C1)c1ccc([S@](C)=O)cc1 ZINC000414189247 428229003 /nfs/dbraw/zinc/22/90/03/428229003.db2.gz RESXNOGINVXBJA-ZSDSOXJFSA-N 2 0 308.491 2.807 20 0 DFADRP C[C@H]([NH2+]CC[C@H]1CCC[N@H+](C)C1)c1ccc([S@@](C)=O)cc1 ZINC000414189243 428230112 /nfs/dbraw/zinc/23/01/12/428230112.db2.gz RESXNOGINVXBJA-PDSXEYIOSA-N 2 0 308.491 2.807 20 0 DFADRP C[N@H+](CC[C@H]1CCCO1)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000346590268 428232224 /nfs/dbraw/zinc/23/22/24/428232224.db2.gz YARWUDBVLRNQSU-GOSISDBHSA-N 2 0 303.450 2.799 20 0 DFADRP CCc1ccc(C[NH2+]CCCC[NH+]2C[C@@H](C)O[C@H](C)C2)cn1 ZINC000352756157 428234615 /nfs/dbraw/zinc/23/46/15/428234615.db2.gz OLYMGXDHVDAREU-HZPDHXFCSA-N 2 0 305.466 2.623 20 0 DFADRP CSC1(C[N@H+](C)C[C@@H]2CCN(C)[C@H]2c2cccnc2)CC1 ZINC000377691413 428194820 /nfs/dbraw/zinc/19/48/20/428194820.db2.gz DJDBUWHHFVOITL-HOTGVXAUSA-N 2 0 305.491 2.902 20 0 DFADRP C[N@@H+](Cc1cnn(-c2ccccc2)c1)C[C@@H]1CCn2ccnc2C1 ZINC000377688027 428196062 /nfs/dbraw/zinc/19/60/62/428196062.db2.gz VSEOXODFJSZWRY-MRXNPFEDSA-N 2 0 321.428 2.763 20 0 DFADRP COc1ccc(C[C@H](C)[NH2+]C2CC[NH+](C3CCC3)CC2)cn1 ZINC000414066311 428197290 /nfs/dbraw/zinc/19/72/90/428197290.db2.gz HBDHKWFNUMLZIZ-AWEZNQCLSA-N 2 0 303.450 2.628 20 0 DFADRP C[C@@H]([NH2+]Cc1ccc(CN2CC[NH+](C)CC2)cc1)[C@H]1C[C@H]1C ZINC000414076702 428199072 /nfs/dbraw/zinc/19/90/72/428199072.db2.gz QIALKSYJXPOFAA-MDZRGWNJSA-N 2 0 301.478 2.568 20 0 DFADRP CC(C)CCOCC[NH2+][C@@H]1CC[N@H+](C[C@H]2CCCO2)C[C@@H]1C ZINC000370653952 428264995 /nfs/dbraw/zinc/26/49/95/428264995.db2.gz VPAIHRHJTQGPEA-RCCFBDPRSA-N 2 0 312.498 2.528 20 0 DFADRP CC[N@@H+]1CC[C@@H](N[C@H]2C[C@H]3CC[C@@H](C2)[NH+]3Cc2ccccc2)C1 ZINC000414347453 428265723 /nfs/dbraw/zinc/26/57/23/428265723.db2.gz QZUUIDOFWBHLMA-YSTOQKLRSA-N 2 0 313.489 2.866 20 0 DFADRP CCC[NH+]1CCC([NH2+][C@@H]2CCN(c3ccc(F)cc3)C2)CC1 ZINC000414346636 428265868 /nfs/dbraw/zinc/26/58/68/428265868.db2.gz MJDSGICUMXVKAY-QGZVFWFLSA-N 2 0 305.441 2.868 20 0 DFADRP COc1ccccc1/C=C/C[NH+]1CCC(OCCC[NH3+])CC1 ZINC000346677688 428268108 /nfs/dbraw/zinc/26/81/08/428268108.db2.gz KXHDKKMNOHUGIG-QPJJXVBHSA-N 2 0 304.434 2.538 20 0 DFADRP Cc1nn(-c2ccc(F)cc2)c(C)c1C[NH+]1CCC(C[NH3+])CC1 ZINC000346681332 428269942 /nfs/dbraw/zinc/26/99/42/428269942.db2.gz DITQRGQDSIUYEU-UHFFFAOYSA-N 2 0 316.424 2.799 20 0 DFADRP COc1cc(C)cc2c1OCC[C@@H]2N[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000370679673 428272857 /nfs/dbraw/zinc/27/28/57/428272857.db2.gz WDJDLYBCPXVNBM-LZWOXQAQSA-N 2 0 304.434 2.900 20 0 DFADRP COc1ccc(-c2n[nH]cc2C[N@H+](C)CC[C@@H]([NH3+])C(C)C)cc1 ZINC000346684178 428274184 /nfs/dbraw/zinc/27/41/84/428274184.db2.gz RHRJBVBDZPDJQY-QGZVFWFLSA-N 2 0 316.449 2.891 20 0 DFADRP Cc1ccc(CN2CCC[C@H](C[N@H+]3CCCC[C@@H]3C)C2)nn1 ZINC000414376474 428276051 /nfs/dbraw/zinc/27/60/51/428276051.db2.gz COQMAPCRSIFAER-IRXDYDNUSA-N 2 0 302.466 2.871 20 0 DFADRP CC(C)Oc1ccccc1C[NH+]1CCC(OCCC[NH3+])CC1 ZINC000346692703 428276644 /nfs/dbraw/zinc/27/66/44/428276644.db2.gz IJUZWFIBTIOTDC-UHFFFAOYSA-N 2 0 306.450 2.804 20 0 DFADRP C[C@@H]1C[C@H](C[NH3+])C[N@@H+]1Cc1c[nH]nc1-c1ccc(Cl)cc1 ZINC000346692455 428276823 /nfs/dbraw/zinc/27/68/23/428276823.db2.gz ZAVQHQIIVZFSBX-VXGBXAGGSA-N 2 0 304.825 2.899 20 0 DFADRP C[C@H]1C[C@@H](C[NH3+])C[N@@H+]1Cc1ccc(OCC(F)(F)F)cc1 ZINC000346694080 428277543 /nfs/dbraw/zinc/27/75/43/428277543.db2.gz RTVTYJGTRXBMFV-AAEUAGOBSA-N 2 0 302.340 2.797 20 0 DFADRP CC[NH+]1CCC(NC[C@H](c2ccco2)[NH+]2CCCCC2)CC1 ZINC000346741904 428297576 /nfs/dbraw/zinc/29/75/76/428297576.db2.gz SWXJXGLXJZMVJE-QGZVFWFLSA-N 2 0 305.466 2.881 20 0 DFADRP CCC[NH+]1CCC([NH2+][C@H]2CCc3cn(C(C)C)nc3C2)CC1 ZINC000341879383 428241631 /nfs/dbraw/zinc/24/16/31/428241631.db2.gz UNMCWUZVCFTEAM-KRWDZBQOSA-N 2 0 304.482 2.785 20 0 DFADRP COCCOc1cccc(C[N@@H+]2CCC[C@@H]3C[NH+](C)CC[C@@H]32)c1 ZINC000377840134 428242036 /nfs/dbraw/zinc/24/20/36/428242036.db2.gz POYAIGGWTLJFBP-MJGOQNOKSA-N 2 0 318.461 2.628 20 0 DFADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NCC[NH+]1CCCCC1 ZINC000346616874 428242448 /nfs/dbraw/zinc/24/24/48/428242448.db2.gz PHSJGUIAHVPVSN-QUCCMNQESA-N 2 0 315.505 2.973 20 0 DFADRP C[C@H](C[NH2+]Cc1ncc(CN(C)C)s1)Oc1ccc(F)cc1 ZINC000352774837 428242521 /nfs/dbraw/zinc/24/25/21/428242521.db2.gz RJXYISIZSKSGHX-GFCCVEGCSA-N 2 0 323.437 2.901 20 0 DFADRP COCCOc1cccc(C[N@@H+]2CCC[C@@H]3C[NH+](C)CC[C@H]32)c1 ZINC000377840133 428243551 /nfs/dbraw/zinc/24/35/51/428243551.db2.gz POYAIGGWTLJFBP-IEBWSBKVSA-N 2 0 318.461 2.628 20 0 DFADRP CC[C@@H]1CC[C@H]1[NH2+]CC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000414310348 428258797 /nfs/dbraw/zinc/25/87/97/428258797.db2.gz SWCLKPIHPBLPCL-QZTJIDSGSA-N 2 0 302.462 2.792 20 0 DFADRP C[NH+]1CCC(N2CC[C@@H]([NH2+][C@H]3CCCc4sccc43)C2)CC1 ZINC000370638883 428259381 /nfs/dbraw/zinc/25/93/81/428259381.db2.gz ZZJCFEBCAFABLZ-PBHICJAKSA-N 2 0 319.518 2.884 20 0 DFADRP C[C@@H]1CCCC[N@@H+]1CCCC[NH2+]Cc1ncc(CN(C)C)s1 ZINC000352814091 428259576 /nfs/dbraw/zinc/25/95/76/428259576.db2.gz KPQMYIWFSFZQTG-OAHLLOKOSA-N 2 0 324.538 2.949 20 0 DFADRP Cc1ccc(CN2CC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2)nn1 ZINC000414443177 428298128 /nfs/dbraw/zinc/29/81/28/428298128.db2.gz RPNMOVUWCJCRMA-HXUWFJFHSA-N 2 0 322.456 2.883 20 0 DFADRP CCc1ccc([C@@H](C)[NH2+][C@@H]2CCN(C3CC[NH+](C)CC3)C2)o1 ZINC000370635415 428260193 /nfs/dbraw/zinc/26/01/93/428260193.db2.gz PBOSQLXZYJWHGL-HUUCEWRRSA-N 2 0 305.466 2.661 20 0 DFADRP C[C@@H]([NH2+][C@H]1CCN(C2CC[NH+](C)CC2)C1)c1cccc(F)c1 ZINC000370637646 428260335 /nfs/dbraw/zinc/26/03/35/428260335.db2.gz VIPCIXGUOKNXEK-PBHICJAKSA-N 2 0 305.441 2.645 20 0 DFADRP CC(C)[C@@H](C)[NH2+]Cc1ccc(C[NH+]2CCC(C(N)=O)CC2)cc1 ZINC000414324237 428261908 /nfs/dbraw/zinc/26/19/08/428261908.db2.gz KJOBSVPBVDCWEY-OAHLLOKOSA-N 2 0 317.477 2.518 20 0 DFADRP C[N@@H+]1CCCC[C@@H]1CCN1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000370879055 428313939 /nfs/dbraw/zinc/31/39/39/428313939.db2.gz LAMKOGNFAKQSRG-YQVWRLOYSA-N 2 0 305.510 2.810 20 0 DFADRP Cc1ccc(NC(=O)CN(C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc1F ZINC000352922708 428314134 /nfs/dbraw/zinc/31/41/34/428314134.db2.gz CNXHZSRUPULVCE-XYPWUTKMSA-N 2 0 319.424 2.630 20 0 DFADRP CCC[N@H+](C)CC(=O)N1CCC(CC[NH+](CC)CC2CC2)CC1 ZINC000356900778 428355627 /nfs/dbraw/zinc/35/56/27/428355627.db2.gz ZHDAQCJGTDVAIS-UHFFFAOYSA-N 2 0 323.525 2.689 20 0 DFADRP CO[C@H]1c2ccccc2C[C@H]1[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000414498950 428322656 /nfs/dbraw/zinc/32/26/56/428322656.db2.gz XKKIVDHIDGNULE-UXHICEINSA-N 2 0 323.440 2.952 20 0 DFADRP C[C@H]1C[N@H+](C)CC[C@@H]1[NH2+]CCCOCCOCc1ccccc1 ZINC000356825796 428324632 /nfs/dbraw/zinc/32/46/32/428324632.db2.gz ATUZLVPSCQQVGO-HKUYNNGSSA-N 2 0 320.477 2.540 20 0 DFADRP COc1ccc(OC)c([C@H]2CCC[N@@H+]2C[C@@H]2CCC[NH2+]C2)c1 ZINC000346818227 428328898 /nfs/dbraw/zinc/32/88/98/428328898.db2.gz GYSVIWVBUWGOQA-RHSMWYFYSA-N 2 0 304.434 2.840 20 0 DFADRP CC[N@@H+]1C[C@H](C)[C@H](N[C@@H](C)[C@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC000352972784 428330385 /nfs/dbraw/zinc/33/03/85/428330385.db2.gz YMWMHKZCAFYWJD-QGZVKYPTSA-N 2 0 315.505 2.827 20 0 DFADRP C[N@@H+]1CCCC[C@@H]1CCC(=O)N1CCC[C@H]1C[NH+]1CCCCC1 ZINC000352971976 428332040 /nfs/dbraw/zinc/33/20/40/428332040.db2.gz MRMUTZXLNUHUBZ-MSOLQXFVSA-N 2 0 321.509 2.728 20 0 DFADRP C[C@@H]1C[C@@H](N(C)C[C@H]2CCC[NH2+]C2)CC[N@@H+]1Cc1ccccc1 ZINC000346824931 428332252 /nfs/dbraw/zinc/33/22/52/428332252.db2.gz DCAYDZGUOJWYBK-HOJAQTOUSA-N 2 0 315.505 2.971 20 0 DFADRP COCCCOc1cccc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)c1 ZINC000346826687 428333708 /nfs/dbraw/zinc/33/37/08/428333708.db2.gz MAMGBGLPXPSRQI-UHOSZYNNSA-N 2 0 318.461 2.661 20 0 DFADRP CCCOc1cc(C[N@@H+]2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)ccc1OC ZINC000346831313 428337891 /nfs/dbraw/zinc/33/78/91/428337891.db2.gz XRZZXDCILVAOIT-XHSDSOJGSA-N 2 0 304.434 2.653 20 0 DFADRP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ccc(Oc4cnccn4)cc3)C[C@H]21 ZINC000346839747 428339603 /nfs/dbraw/zinc/33/96/03/428339603.db2.gz SVUSKJODPMJGPB-KBAYOESNSA-N 2 0 324.428 2.828 20 0 DFADRP [NH3+][C@@H]1CCC[C@H]2C[N@H+](Cc3c[nH]nc3-c3cccs3)C[C@H]21 ZINC000346840333 428341434 /nfs/dbraw/zinc/34/14/34/428341434.db2.gz ZXNBWLMIBYDNKD-IACUBPJLSA-N 2 0 302.447 2.697 20 0 DFADRP Cc1ncc(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)n1-c1ccccc1 ZINC000346844861 428342721 /nfs/dbraw/zinc/34/27/21/428342721.db2.gz LZZSBAOBNSTRBM-KFKAGJAMSA-N 2 0 310.445 2.740 20 0 DFADRP CCc1cccnc1[C@H](C)[NH2+]CC1CC[NH+](CCN(C)C)CC1 ZINC000356868901 428342687 /nfs/dbraw/zinc/34/26/87/428342687.db2.gz NNQYUIHUJNYPAR-INIZCTEOSA-N 2 0 318.509 2.568 20 0 DFADRP CC(C)[C@H](CO)[NH2+][C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000356872856 428342816 /nfs/dbraw/zinc/34/28/16/428342816.db2.gz PNAPAPPLOAJKHT-OKYOBFRVSA-N 2 0 302.462 2.504 20 0 DFADRP COc1cc(C[N@@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)ccc1OC(C)C ZINC000346852305 428345262 /nfs/dbraw/zinc/34/52/62/428345262.db2.gz KOKDFMDYBRKKOB-HRCADAONSA-N 2 0 304.434 2.652 20 0 DFADRP [NH3+][C@@H]1CC[C@H]2C[N@H+](Cc3cccc(OCc4ccccn4)c3)C[C@@H]12 ZINC000346854230 428347076 /nfs/dbraw/zinc/34/70/76/428347076.db2.gz TZMKRQZENQVNRB-PWIZWCRZSA-N 2 0 323.440 2.830 20 0 DFADRP Cn1cc(C[N@@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)c(C2CCCCC2)n1 ZINC000346858808 428351276 /nfs/dbraw/zinc/35/12/76/428351276.db2.gz RXYNDGSZDWGMRE-USXIJHARSA-N 2 0 302.466 2.637 20 0 DFADRP C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)Cc1cccc2c1OC(F)(F)O2 ZINC000414444580 428299139 /nfs/dbraw/zinc/29/91/39/428299139.db2.gz QAVUSCBGOAUROT-YPMHNXCESA-N 2 0 312.360 2.780 20 0 DFADRP CC[C@@H](F)CN1CCN([C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000352894794 428300164 /nfs/dbraw/zinc/30/01/64/428300164.db2.gz VOJIECSMVPXPJI-MOPGFXCFSA-N 2 0 319.468 2.627 20 0 DFADRP Cc1cc(CN[C@H]2c3ccccc3CC[C@@H]2n2ccnc2)nn1C ZINC000414448384 428302404 /nfs/dbraw/zinc/30/24/04/428302404.db2.gz ZPFFDWZLYMXWEH-OALUTQOASA-N 2 0 321.428 2.943 20 0 DFADRP CC[NH+](CC)CCN(CCC(F)(F)F)C[C@H]1CCC[NH2+]C1 ZINC000346981788 428393992 /nfs/dbraw/zinc/39/39/92/428393992.db2.gz PMYZSPHMXQCEKQ-AWEZNQCLSA-N 2 0 309.420 2.582 20 0 DFADRP CCc1cc(OC)ccc1C[NH+]1CCC([C@@H]2OCC[C@H]2[NH3+])CC1 ZINC000414776601 428404409 /nfs/dbraw/zinc/40/44/09/428404409.db2.gz NIOQJSCPFPDOLN-MOPGFXCFSA-N 2 0 318.461 2.586 20 0 DFADRP CC(C)Oc1ccccc1C[NH+]1CCC([C@@H]2OCC[C@H]2[NH3+])CC1 ZINC000414775852 428404945 /nfs/dbraw/zinc/40/49/45/428404945.db2.gz CGYXHIDKGHBZQA-MJGOQNOKSA-N 2 0 318.461 2.802 20 0 DFADRP CC[NH2+]CC1CC[NH+](Cc2cnc3c(cnn3C(C)C)c2)CC1 ZINC000347005896 428405065 /nfs/dbraw/zinc/40/50/65/428405065.db2.gz CGDLVHVTDUSASD-UHFFFAOYSA-N 2 0 315.465 2.834 20 0 DFADRP C[C@H](CCc1ccccc1)C[N@@H+]1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000414784104 428407607 /nfs/dbraw/zinc/40/76/07/428407607.db2.gz QUBZYKVLJLFSPL-IEBWSBKVSA-N 2 0 316.489 2.943 20 0 DFADRP COCCOc1cccc(C[N@@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)c1 ZINC000414784983 428407672 /nfs/dbraw/zinc/40/76/72/428407672.db2.gz RXODUMZWEZBCJW-ZWKOTPCHSA-N 2 0 318.461 2.533 20 0 DFADRP Cc1ccc(NC(=O)C[C@@H](C)[NH2+]C[C@@H]([NH3+])C(C)C)c(Cl)c1 ZINC000414788682 428409537 /nfs/dbraw/zinc/40/95/37/428409537.db2.gz DSVADYKPGDRPTK-TZMCWYRMSA-N 2 0 311.857 2.938 20 0 DFADRP COc1ccc(Cl)cc1C[NH+]1CCC([C@@H]2OCC[C@H]2[NH3+])CC1 ZINC000414788021 428409612 /nfs/dbraw/zinc/40/96/12/428409612.db2.gz MPURWNMPXWXJSU-WBVHZDCISA-N 2 0 324.852 2.677 20 0 DFADRP COc1ccc(OC)c(C[N@@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)c1 ZINC000414786699 428411017 /nfs/dbraw/zinc/41/10/17/428411017.db2.gz UTBATBKSSCSWEW-LSDHHAIUSA-N 2 0 304.434 2.525 20 0 DFADRP CC(C)Oc1ccc(C[NH+]2CCC([C@@H]3OCC[C@H]3[NH3+])CC2)cc1 ZINC000414795435 428411847 /nfs/dbraw/zinc/41/18/47/428411847.db2.gz WUJFTBQXAACQOJ-MOPGFXCFSA-N 2 0 318.461 2.802 20 0 DFADRP [NH3+]Cc1ccc(-c2noc(C3C[C@H]4CCC[C@@H](C3)C4[NH3+])n2)cc1 ZINC000414647036 428364478 /nfs/dbraw/zinc/36/44/78/428364478.db2.gz QAINRWXYGJPXLT-PJPHBNEVSA-N 2 0 312.417 2.816 20 0 DFADRP COc1ccc(C[N@@H+]2CCCN(CC[NH2+]C(C)(C)C)CC2)cc1 ZINC000414664006 428366924 /nfs/dbraw/zinc/36/69/24/428366924.db2.gz CAVAOPSZFLOVKR-UHFFFAOYSA-N 2 0 319.493 2.591 20 0 DFADRP [NH3+]C[C@H]1CCCC[C@H]1[NH2+]Cc1cnc(-c2ccncc2)s1 ZINC000414793533 428413402 /nfs/dbraw/zinc/41/34/02/428413402.db2.gz DPCCSIUXSRTUQX-UKRRQHHQSA-N 2 0 302.447 2.812 20 0 DFADRP CC[C@@H](c1ccccc1)[N@H+](CC)C[C@@H]1CCCN(C(=O)C[NH3+])C1 ZINC000414681381 428373460 /nfs/dbraw/zinc/37/34/60/428373460.db2.gz VYHURAVXBKYJGP-WMZOPIPTSA-N 2 0 317.477 2.657 20 0 DFADRP CC[C@H](c1ccccc1)[N@H+](CC)C[C@H]1CCCN(C(=O)C[NH3+])C1 ZINC000414681379 428373741 /nfs/dbraw/zinc/37/37/41/428373741.db2.gz VYHURAVXBKYJGP-SJLPKXTDSA-N 2 0 317.477 2.657 20 0 DFADRP C[C@@H]1C[C@H](C[N@@H+]2CCC[C@H](C[NH+]3CCCC[C@@H]3C)C2)CC[NH2+]1 ZINC000414689843 428375710 /nfs/dbraw/zinc/37/57/10/428375710.db2.gz LWFPFIMMNXYTOI-HCXYKTFWSA-N 3 0 307.526 2.961 20 0 DFADRP Cc1ccccc1NC(=O)[C@H](C)[NH+]1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000357068987 428376094 /nfs/dbraw/zinc/37/60/94/428376094.db2.gz DWMYNKZUMHLSDB-RDJZCZTQSA-N 2 0 315.461 2.644 20 0 DFADRP C[C@@H]1C[C@H](C[N@@H+]2CCCN(Cc3ccc(F)cc3)CC2)CC[NH2+]1 ZINC000414684845 428376748 /nfs/dbraw/zinc/37/67/48/428376748.db2.gz WZMNYCVJKPKBDF-SJLPKXTDSA-N 2 0 319.468 2.722 20 0 DFADRP Cc1cc(C)n(C[C@H]2CCCC[NH+]2CC[C@H]2CCC[N@H+]2C)n1 ZINC000371205843 428378249 /nfs/dbraw/zinc/37/82/49/428378249.db2.gz VMJJALJREMXLAV-QZTJIDSGSA-N 2 0 304.482 2.839 20 0 DFADRP C[C@H]1C[C@@H](C[N@H+](C)Cc2nccn2Cc2ccccc2)CC[NH2+]1 ZINC000414692256 428379054 /nfs/dbraw/zinc/37/90/54/428379054.db2.gz KPQYFFXKJUUDCH-WMZOPIPTSA-N 2 0 312.461 2.751 20 0 DFADRP CCC1CCC([N@H+](C[C@@H]2CCCN(C(=O)C[NH3+])C2)C2CC2)CC1 ZINC000414694628 428379090 /nfs/dbraw/zinc/37/90/90/428379090.db2.gz DLIWEYNRFKVJBO-AQFXKWCLSA-N 2 0 321.509 2.617 20 0 DFADRP C[C@@H]1C[C@H](C[N@H+](C)Cc2nccn2Cc2ccccc2)CC[NH2+]1 ZINC000414692255 428379213 /nfs/dbraw/zinc/37/92/13/428379213.db2.gz KPQYFFXKJUUDCH-SJLPKXTDSA-N 2 0 312.461 2.751 20 0 DFADRP CCCCC[N@H+](C[C@H]1CCCN(C(=O)C[NH3+])C1)[C@@H](C)CCC ZINC000414700822 428379316 /nfs/dbraw/zinc/37/93/16/428379316.db2.gz ZVPXLEXMQLAASE-DLBZAZTESA-N 2 0 311.514 2.865 20 0 DFADRP COCCOCC[N@@H+](Cc1ccccc1)C[C@H]1CC[NH2+][C@H](C)C1 ZINC000414695922 428379538 /nfs/dbraw/zinc/37/95/38/428379538.db2.gz ADXNHKMIVYLYFM-MJGOQNOKSA-N 2 0 320.477 2.540 20 0 DFADRP C[C@H]1C[C@H](C[N@H+](C)Cc2nccn2Cc2ccccc2)CC[NH2+]1 ZINC000414692253 428379668 /nfs/dbraw/zinc/37/96/68/428379668.db2.gz KPQYFFXKJUUDCH-FUHWJXTLSA-N 2 0 312.461 2.751 20 0 DFADRP Cc1ccc(CC[N@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@@H]32)cc1 ZINC000371295588 428380547 /nfs/dbraw/zinc/38/05/47/428380547.db2.gz SRRJBLBZCWWKMD-CEXWTWQISA-N 2 0 302.462 2.721 20 0 DFADRP CCc1ccc([C@H](C)[NH2+]CC(=O)NC2CC[NH+](CC)CC2)cc1 ZINC000357075261 428380689 /nfs/dbraw/zinc/38/06/89/428380689.db2.gz VSRJMVOJOSDTCH-HNNXBMFYSA-N 2 0 317.477 2.500 20 0 DFADRP C[C@@H]1C[C@H](C[N@H+](C)[C@H]2CCCN(c3ccccc3)C2=O)CC[NH2+]1 ZINC000414710138 428383790 /nfs/dbraw/zinc/38/37/90/428383790.db2.gz RLZITUIHTGZTMV-NUJGCVRESA-N 2 0 315.461 2.502 20 0 DFADRP C[C@H](c1ccsc1)N1CC[NH+](C[C@@H]2CC[NH2+][C@H](C)C2)CC1 ZINC000414714857 428383821 /nfs/dbraw/zinc/38/38/21/428383821.db2.gz QLAYUEOWCFUBLD-BZUAXINKSA-N 2 0 307.507 2.815 20 0 DFADRP C[C@@H]1C[C@H](C[N@H+](C)[C@@H]2CCCN(c3ccccc3)C2=O)CC[NH2+]1 ZINC000414710134 428384203 /nfs/dbraw/zinc/38/42/03/428384203.db2.gz RLZITUIHTGZTMV-JFIYKMOQSA-N 2 0 315.461 2.502 20 0 DFADRP C[C@H]1C[C@@H](C[NH+]2CCC(N(C)c3ccccc3)CC2)CC[NH2+]1 ZINC000414712654 428384494 /nfs/dbraw/zinc/38/44/94/428384494.db2.gz SVXUFTZGMBIHFV-IRXDYDNUSA-N 2 0 301.478 2.975 20 0 DFADRP CCN(CCC[NH+]1CCCC1)C(=O)C1(C[NH+](C)C)CCCCC1 ZINC000357097158 428386010 /nfs/dbraw/zinc/38/60/10/428386010.db2.gz DVDYGNLUOGJYLA-UHFFFAOYSA-N 2 0 323.525 2.833 20 0 DFADRP C[C@@H]1C[C@H](C[N@H+]2C[C@@H](c3ccc(F)cc3)O[C@@H](C)C2)CC[NH2+]1 ZINC000414715949 428385979 /nfs/dbraw/zinc/38/59/79/428385979.db2.gz WINCYHSHUWGTQR-FSZRXZPDSA-N 2 0 306.425 2.976 20 0 DFADRP Cc1ccc(NC(=O)C[C@H](C)[NH2+][C@H](C)[C@H]2CCC[NH2+]C2)c(C)c1 ZINC000414853004 428434013 /nfs/dbraw/zinc/43/40/13/428434013.db2.gz KKQGFXNBNAMRBZ-BBWFWOEESA-N 2 0 317.477 2.998 20 0 DFADRP Cc1cccc(NC(=O)C[C@H](C)[NH2+][C@@H](C)[C@@H]2CCC[NH2+]C2)c1C ZINC000414860078 428436498 /nfs/dbraw/zinc/43/64/98/428436498.db2.gz VEVWXGSTLLSXJR-BHYGNILZSA-N 2 0 317.477 2.998 20 0 DFADRP Cc1ccc(-c2ccc(C[NH2+]CCN3CC[NH2+]CC3)s2)cc1 ZINC000414867479 428437482 /nfs/dbraw/zinc/43/74/82/428437482.db2.gz OHYXWDZXXAGYGO-UHFFFAOYSA-N 2 0 315.486 2.718 20 0 DFADRP C[C@H](Cc1ccc(Br)c(F)c1)[NH2+][C@@H]1CCCNC1 ZINC000414866461 428437634 /nfs/dbraw/zinc/43/76/34/428437634.db2.gz MXMCPKDZAGSWSI-ZYHUDNBSSA-N 2 0 315.230 2.861 20 0 DFADRP Fc1ccc(Br)c(F)c1CNC[C@@H]1CCC[NH2+]C1 ZINC000414863837 428437798 /nfs/dbraw/zinc/43/77/98/428437798.db2.gz YHTPNNVBKIPVPB-SECBINFHSA-N 2 0 319.193 2.817 20 0 DFADRP C[C@@H](C[NH3+])C[NH2+]Cc1cc2ccccc2nc1N1CCCCC1 ZINC000414870665 428438615 /nfs/dbraw/zinc/43/86/15/428438615.db2.gz CCSVGBYLHBCGMH-HNNXBMFYSA-N 2 0 312.461 2.910 20 0 DFADRP CC[C@@H]1C[C@@H](C[NH2+]CC2(SC)CC[NH+](C)CC2)CCO1 ZINC000353225869 428438940 /nfs/dbraw/zinc/43/89/40/428438940.db2.gz XOXOKZYMIHBSNM-LSDHHAIUSA-N 2 0 300.512 2.609 20 0 DFADRP Cc1ccc(NC(=O)C[C@@H](C)N[C@H]2CCC[NH2+]C2)cc1Cl ZINC000414866480 428439376 /nfs/dbraw/zinc/43/93/76/428439376.db2.gz MZGJGBMEBWRQGO-OCCSQVGLSA-N 2 0 309.841 2.707 20 0 DFADRP C[C@H](Cc1ccc(Br)c(F)c1)[NH2+][C@H]1CCCNC1 ZINC000414866460 428439502 /nfs/dbraw/zinc/43/95/02/428439502.db2.gz MXMCPKDZAGSWSI-PWSUYJOCSA-N 2 0 315.230 2.861 20 0 DFADRP CC(C)[N@H+](C)CCN[C@H](C)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000357229658 428445379 /nfs/dbraw/zinc/44/53/79/428445379.db2.gz IHWHLZFJQONBFP-MJGOQNOKSA-N 2 0 303.494 2.827 20 0 DFADRP CC(C)c1ccc(NC(=O)C[C@@H](C)[NH2+]C[C@H]([NH3+])C2CC2)cc1 ZINC000414881393 428445496 /nfs/dbraw/zinc/44/54/96/428445496.db2.gz AIWIEYBRXVGBHN-DYVFJYSZSA-N 2 0 303.450 2.854 20 0 DFADRP C[C@@H]([NH3+])[C@H]1CCCN(Cc2cnc(-c3ccccn3)s2)C1 ZINC000347104038 428447236 /nfs/dbraw/zinc/44/72/36/428447236.db2.gz KWKIOLLQLDONJM-OLZOCXBDSA-N 2 0 302.447 2.764 20 0 DFADRP CC(C)[C@H](O)CC[NH2+][C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000357233894 428448457 /nfs/dbraw/zinc/44/84/57/428448457.db2.gz RTCMSXNABMUYKB-YTQUADARSA-N 2 0 304.478 2.894 20 0 DFADRP C[C@H]1[NH2+]CCC[C@H]1C(=O)NCC1([NH+]2CCCCC2)CCCCC1 ZINC000342759241 428448627 /nfs/dbraw/zinc/44/86/27/428448627.db2.gz XFPBFQCQUHMZFI-IAGOWNOFSA-N 2 0 321.509 2.680 20 0 DFADRP C[C@@H]1[NH2+]CCC[C@@H]1C(=O)NCC1([NH+]2CCCCC2)CCCCC1 ZINC000342759242 428449328 /nfs/dbraw/zinc/44/93/28/428449328.db2.gz XFPBFQCQUHMZFI-IRXDYDNUSA-N 2 0 321.509 2.680 20 0 DFADRP Cc1nn(-c2ccc(F)cc2F)c(C)c1C[NH2+]CCCC[NH3+] ZINC000414900311 428449425 /nfs/dbraw/zinc/44/94/25/428449425.db2.gz GZDOTLGDMIZXFW-UHFFFAOYSA-N 2 0 308.376 2.596 20 0 DFADRP COc1ccc(CC[C@@H](C)[NH2+]C[C@]2(C)CCC[NH2+]C2)cc1O ZINC000414899246 428449573 /nfs/dbraw/zinc/44/95/73/428449573.db2.gz CIUIDACSYLBBMW-RDTXWAMCSA-N 2 0 306.450 2.701 20 0 DFADRP C[C@H](Cc1ccc(Br)cc1F)[NH2+]C[C@@H]([NH3+])C1CC1 ZINC000414895570 428449783 /nfs/dbraw/zinc/44/97/83/428449783.db2.gz XWPHEBMHRJQUEE-YMTOWFKASA-N 2 0 315.230 2.846 20 0 DFADRP CC(C)c1ccccc1NC(=O)C[C@H](C)[NH2+]C[C@H]([NH3+])C1CC1 ZINC000414895026 428450486 /nfs/dbraw/zinc/45/04/86/428450486.db2.gz VGKKISBRJYIZQT-BBRMVZONSA-N 2 0 303.450 2.854 20 0 DFADRP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NC[C@]2(C)CCC[NH2+]C2)C1 ZINC000414902363 428451623 /nfs/dbraw/zinc/45/16/23/428451623.db2.gz HFMUECPDORAXIN-BHIYHBOVSA-N 2 0 301.478 2.801 20 0 DFADRP CC[C@H](Cn1cncn1)[NH2+]C1CCC([NH+]2CCC(C)CC2)CC1 ZINC000353255745 428451701 /nfs/dbraw/zinc/45/17/01/428451701.db2.gz OCHGZGMCZXVOHN-WWDZGPRUSA-N 2 0 319.497 2.689 20 0 DFADRP CCc1ccccc1NC(=O)C[C@@H](C)[NH2+]C[C@]1(C)CCC[NH2+]C1 ZINC000414902213 428452145 /nfs/dbraw/zinc/45/21/45/428452145.db2.gz GWDDRAPWMQJBNM-DNVCBOLYSA-N 2 0 317.477 2.945 20 0 DFADRP C[C@]1(C[NH2+]Cc2c[nH]nc2-c2ccc(F)cc2)CCC[NH2+]C1 ZINC000414913364 428455273 /nfs/dbraw/zinc/45/52/73/428455273.db2.gz WNLPQFVSGUWMIL-KRWDZBQOSA-N 2 0 302.397 2.695 20 0 DFADRP Cc1nc(COc2ccc(C[NH2+]C[C@H]3CC[NH2+]C3)cc2)cs1 ZINC000414918966 428456195 /nfs/dbraw/zinc/45/61/95/428456195.db2.gz VQCFQKLYKBYEHE-HNNXBMFYSA-N 2 0 317.458 2.730 20 0 DFADRP Clc1ccccc1CN1CCC([NH2+]C[C@H]2CC[NH2+]C2)CC1 ZINC000414916220 428457057 /nfs/dbraw/zinc/45/70/57/428457057.db2.gz PBVRMETUWGLHDL-AWEZNQCLSA-N 2 0 307.869 2.504 20 0 DFADRP CC1(C)CCC[NH2+][C@@H]1CNC1CC[NH+](CCC(F)(F)F)CC1 ZINC000414927598 428460481 /nfs/dbraw/zinc/46/04/81/428460481.db2.gz MIQIGNGYMYWLIM-CQSZACIVSA-N 2 0 321.431 2.771 20 0 DFADRP Cc1cccc(NC(=O)C[C@H](C)[NH2+][C@H]2CC[NH2+]C[C@H]2C)c1C ZINC000414934549 428461868 /nfs/dbraw/zinc/46/18/68/428461868.db2.gz FDWRCTYUCVUSCX-YCPHGPKFSA-N 2 0 303.450 2.608 20 0 DFADRP COc1ccc(OCC[N@@H+]2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)cc1 ZINC000386779044 428462008 /nfs/dbraw/zinc/46/20/08/428462008.db2.gz JCAXDUCHBRXUNA-CRAIPNDOSA-N 2 0 304.434 2.538 20 0 DFADRP CCc1ccccc1NC(=O)C[C@H](C)[NH2+][C@@H]1CC[NH2+]C[C@H]1C ZINC000414936876 428463120 /nfs/dbraw/zinc/46/31/20/428463120.db2.gz HCCMGRFALIIINR-IJEWVQPXSA-N 2 0 303.450 2.554 20 0 DFADRP C[C@H]1C[C@@H](NCC(C)(C)C[N@H+](C)Cc2ccccc2)CC[NH2+]1 ZINC000414942488 428465772 /nfs/dbraw/zinc/46/57/72/428465772.db2.gz DNYNJNSNJZQAHO-WMZOPIPTSA-N 2 0 303.494 2.875 20 0 DFADRP CC1([NH2+]Cc2ccc(OCc3ccncc3)cc2)CC[NH2+]CC1 ZINC000414944130 428466528 /nfs/dbraw/zinc/46/65/28/428466528.db2.gz OXLQWXOHPAQORY-UHFFFAOYSA-N 2 0 311.429 2.892 20 0 DFADRP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+]1CCC[C@H]1[C@H]1CCCO1 ZINC000342845835 428469046 /nfs/dbraw/zinc/46/90/46/428469046.db2.gz XUQMOTSOFTZQJF-ZWKOTPCHSA-N 2 0 312.417 2.719 20 0 DFADRP COCC1(C[NH2+]Cc2ccc(OCC3CC3)cc2)CC[NH2+]CC1 ZINC000414953147 428469316 /nfs/dbraw/zinc/46/93/16/428469316.db2.gz ANPMBRHSBIMTJD-UHFFFAOYSA-N 2 0 318.461 2.581 20 0 DFADRP C[C@H](c1ccccc1)N1CC[C@H]([NH2+][C@@H]2CCCC[C@H]2C[NH3+])C1 ZINC000414801719 428415186 /nfs/dbraw/zinc/41/51/86/428415186.db2.gz MALHTLCXXILLCN-XGXHKWSGSA-N 2 0 301.478 2.929 20 0 DFADRP [NH3+]C[C@H]1CCC[C@@H]1[NH2+]Cc1ccc(F)c(Br)c1 ZINC000414797219 428415871 /nfs/dbraw/zinc/41/58/71/428415871.db2.gz OVDWKWSETMIEBH-MFKMUULPSA-N 2 0 301.203 2.805 20 0 DFADRP C[C@H]1C[C@H](C)C[NH+](C(C)(C)CNC(=O)CC2CC[NH+](C)CC2)C1 ZINC000347035410 428416420 /nfs/dbraw/zinc/41/64/20/428416420.db2.gz UQLMSCUSZBQGCE-HOTGVXAUSA-N 2 0 323.525 2.591 20 0 DFADRP C[C@H](c1ccccc1)N1CC[C@H]([NH2+][C@H]2CCCC[C@H]2C[NH3+])C1 ZINC000414801717 428416627 /nfs/dbraw/zinc/41/66/27/428416627.db2.gz MALHTLCXXILLCN-BVBHFADKSA-N 2 0 301.478 2.929 20 0 DFADRP Cc1ccccc1NC(=O)C[C@H](C)[NH2+][C@@H]1CCCC[C@@H]1C[NH3+] ZINC000414810987 428417744 /nfs/dbraw/zinc/41/77/44/428417744.db2.gz VULNFTWGWBNWPI-ZMSDIMECSA-N 2 0 303.450 2.819 20 0 DFADRP CC[C@H](Cc1ccc(OC)c(OC)c1)[NH2+][C@@H]1CCC[C@H]1C[NH3+] ZINC000414804820 428418126 /nfs/dbraw/zinc/41/81/26/428418126.db2.gz PBXNEZZITCLYQO-ARFHVFGLSA-N 2 0 306.450 2.742 20 0 DFADRP C[N@@H+]1CCCC12CCN(C(=O)c1ccc(-n3ccnc3)cc1)CC2 ZINC000378521664 428418053 /nfs/dbraw/zinc/41/80/53/428418053.db2.gz ZAYORBSYNKZWNS-UHFFFAOYSA-N 2 0 324.428 2.573 20 0 DFADRP CC(C)n1ncc2cc(C[N@@H+]3CCC[C@H]([C@H](C)[NH3+])C3)cnc21 ZINC000347037866 428419014 /nfs/dbraw/zinc/41/90/14/428419014.db2.gz FZTKGPDDKVXUNC-ZFWWWQNUSA-N 2 0 301.438 2.571 20 0 DFADRP C[C@H]([NH3+])c1ccc(C[NH2+][C@@H](C)CC(=O)N2CCCCCC2)cc1 ZINC000414809940 428419181 /nfs/dbraw/zinc/41/91/81/428419181.db2.gz HITZJAKHSILKIW-HOTGVXAUSA-N 2 0 317.477 2.977 20 0 DFADRP CCC([NH3+])(CC)CNCc1nc2c(s1)C[N@@H+](C(C)C)CC2 ZINC000414809349 428419356 /nfs/dbraw/zinc/41/93/56/428419356.db2.gz MHKOQHMWGXSZFJ-UHFFFAOYSA-N 2 0 310.511 2.517 20 0 DFADRP COc1cc2c(c(C[NH2+][C@@H]3CCCC[C@@H]3C[NH3+])c1)O[C@@H](C)C2 ZINC000414810289 428420053 /nfs/dbraw/zinc/42/00/53/428420053.db2.gz VEYHFSXHRFECLH-OGHNNQOOSA-N 2 0 304.434 2.626 20 0 DFADRP Cc1cc(C[NH2+]Cc2ccc([C@@H](C)[NH3+])cc2)ccc1-n1cncn1 ZINC000414813235 428421671 /nfs/dbraw/zinc/42/16/71/428421671.db2.gz SXAILQPDAMWPCD-OAHLLOKOSA-N 2 0 321.428 2.885 20 0 DFADRP C[C@H]([NH3+])CC[NH2+]Cc1cc(Br)ccc1OC(F)F ZINC000414819685 428422188 /nfs/dbraw/zinc/42/21/88/428422188.db2.gz ICLMAEJQMLVJJG-QMMMGPOBSA-N 2 0 323.181 2.877 20 0 DFADRP C[NH+](C)CCC[NH2+][C@H]1CCc2cc(Br)ccc2C1 ZINC000104358095 273795049 /nfs/dbraw/zinc/79/50/49/273795049.db2.gz HGJNHTAJJLTQQL-HNNXBMFYSA-N 2 0 311.267 2.848 20 0 DFADRP COCC[C@H](Cc1cccc(F)c1)[NH2+]CC[C@H]1CCC[NH2+]C1 ZINC000414831762 428426941 /nfs/dbraw/zinc/42/69/41/428426941.db2.gz DPZVTJHLTYKHGS-CRAIPNDOSA-N 2 0 308.441 2.753 20 0 DFADRP COc1ccc(C[NH2+]CC[C@@H]2CC[NH2+]C2)cc1OCC(C)C ZINC000414840959 428431083 /nfs/dbraw/zinc/43/10/83/428431083.db2.gz XMLUEVUCDVRAKE-HNNXBMFYSA-N 2 0 306.450 2.819 20 0 DFADRP Cc1ccc(NC(=O)C[C@H](C)[NH2+]C[C@H]2CCC[NH2+]C2)c(Cl)c1 ZINC000414836996 428431381 /nfs/dbraw/zinc/43/13/81/428431381.db2.gz VHWIMURDDCHURF-KBPBESRZSA-N 2 0 323.868 2.955 20 0 DFADRP COCC1(C[NH2+]C/C=C\c2ccc(F)cc2F)CC[NH2+]CC1 ZINC000414981816 428479940 /nfs/dbraw/zinc/47/99/40/428479940.db2.gz XLRMDKANAIFPKI-IHWYPQMZSA-N 2 0 310.388 2.584 20 0 DFADRP OC1(C[NH+]2CCC3(CC[N@H+](Cc4ccccc4)C3)CC2)CCC1 ZINC000342875321 428480184 /nfs/dbraw/zinc/48/01/84/428480184.db2.gz WBHDICRDPAAIIH-UHFFFAOYSA-N 2 0 314.473 2.890 20 0 DFADRP C[N@H+](Cc1ccccc1)CC(C)(C)CN[C@@H](CC[NH3+])C(F)F ZINC000414984147 428480896 /nfs/dbraw/zinc/48/08/96/428480896.db2.gz DCXNBBHRRLBVPI-HNNXBMFYSA-N 2 0 313.436 2.717 20 0 DFADRP COc1ccc(-c2n[nH]cc2C[NH2+]CCC[C@H]2CCC[NH2+]2)cc1 ZINC000414980044 428481057 /nfs/dbraw/zinc/48/10/57/428481057.db2.gz WFQYJFLYXNNLCI-INIZCTEOSA-N 2 0 314.433 2.707 20 0 DFADRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@@H]1CCCC[C@@H]1[C@H]1CCOC1 ZINC000353316896 428482395 /nfs/dbraw/zinc/48/23/95/428482395.db2.gz VMIPIURJTNAISP-BSDSXHPESA-N 2 0 312.498 2.528 20 0 DFADRP C[NH2+][C@H](C)CN[C@@H](C)Cc1ccc(Br)c(F)c1 ZINC000414991583 428482581 /nfs/dbraw/zinc/48/25/81/428482581.db2.gz SMPWUUZIIOEEJW-VHSXEESVSA-N 2 0 303.219 2.717 20 0 DFADRP CCc1ccc([C@@H](C)[NH2+][C@@H](CC(C)C)C(=O)NCC[NH+](C)C)o1 ZINC000347186098 428486543 /nfs/dbraw/zinc/48/65/43/428486543.db2.gz CTBNYLCULFMQAE-ZBFHGGJFSA-N 2 0 323.481 2.585 20 0 DFADRP COc1ccc(CC[C@@H](C)[NH2+][C@@H]2C[C@H]2C2CC[NH2+]CC2)cc1O ZINC000415006172 428487839 /nfs/dbraw/zinc/48/78/39/428487839.db2.gz KBKOMUMLAFZOPS-XOKHGSTOSA-N 2 0 318.461 2.700 20 0 DFADRP COc1cccc(NC(=O)C[C@H](C)[NH2+]C[C@@H]2CCC[C@@H]([NH3+])C2)c1 ZINC000415014352 428491561 /nfs/dbraw/zinc/49/15/61/428491561.db2.gz ZKCGRBCQJXTDFY-RRFJBIMHSA-N 2 0 319.449 2.519 20 0 DFADRP CCCOc1cc(C[NH2+][C@@H]2C[C@H]2C2CC[NH2+]CC2)ccc1OC ZINC000415015363 428491609 /nfs/dbraw/zinc/49/16/09/428491609.db2.gz YMWDYGWZHZAYKW-DLBZAZTESA-N 2 0 318.461 2.962 20 0 DFADRP C[C@@H]1C[C@H]([NH2+][C@H]2CC[C@@H](C[NH3+])C2)CCN1Cc1ccccc1 ZINC000415027734 428492426 /nfs/dbraw/zinc/49/24/26/428492426.db2.gz BKTHBBPWOZADAF-OQIJWPOYSA-N 2 0 301.478 2.757 20 0 DFADRP COCCOc1ccc(C[NH+]2CCC([C@@H]3CCC[NH2+]3)CC2)cc1 ZINC000347203921 428492415 /nfs/dbraw/zinc/49/24/15/428492415.db2.gz LAOJDPGYEQXFNE-IBGZPJMESA-N 2 0 318.461 2.676 20 0 DFADRP [NH3+]C[C@@H]1CC[C@@H]([NH2+]Cc2cc(Br)ccc2F)C1 ZINC000415029133 428492900 /nfs/dbraw/zinc/49/29/00/428492900.db2.gz DIPFABGEGAUDMH-BXKDBHETSA-N 2 0 301.203 2.805 20 0 DFADRP [NH3+]C[C@H]1CC[C@H]([NH2+]C2CCN(CCc3ccc(F)cc3)CC2)C1 ZINC000415029551 428493740 /nfs/dbraw/zinc/49/37/40/428493740.db2.gz DUBBJKKNJRIYSS-LPHOPBHVSA-N 2 0 319.468 2.550 20 0 DFADRP C[C@@H](Cc1ccc(C(F)(F)F)cc1)[NH2+]C[C@H]1C[NH2+]CCCO1 ZINC000415029381 428493861 /nfs/dbraw/zinc/49/38/61/428493861.db2.gz AWFKKVRTURFDMR-SWLSCSKDSA-N 2 0 316.367 2.605 20 0 DFADRP c1cn(-c2ccc(C[N@@H+]3CCCC[C@H]3[C@H]3CC[NH2+]C3)cc2)cn1 ZINC000415035639 428494953 /nfs/dbraw/zinc/49/49/53/428494953.db2.gz DXYSCHHNODEASE-HKUYNNGSSA-N 2 0 310.445 2.836 20 0 DFADRP CC[NH2+]CC1CC[NH+](Cc2cnn(-c3ccc(F)cc3)c2)CC1 ZINC000347216157 428495362 /nfs/dbraw/zinc/49/53/62/428495362.db2.gz RBUZNYLPMIQXIZ-UHFFFAOYSA-N 2 0 316.424 2.833 20 0 DFADRP Cc1oc2ccccc2c1C[N@@H+](C)C1CCN(CCO)CC1 ZINC000353353492 428496759 /nfs/dbraw/zinc/49/67/59/428496759.db2.gz PDPCWFZBIORQQM-UHFFFAOYSA-N 2 0 302.418 2.630 20 0 DFADRP CCOc1cc(C[NH2+][C@H]2CC[C@@H](C[NH3+])C2)ccc1OC(F)F ZINC000415044517 428498322 /nfs/dbraw/zinc/49/83/22/428498322.db2.gz STVXYDPXFUGJGZ-YPMHNXCESA-N 2 0 314.376 2.904 20 0 DFADRP C1CC1[C@H]1CCC[C@H]([NH2+]C2CCC([NH+]3CCNCC3)CC2)C1 ZINC000415052461 428500120 /nfs/dbraw/zinc/50/01/20/428500120.db2.gz LIBITKJEHMLUCJ-BMHOQUIDSA-N 2 0 305.510 2.761 20 0 DFADRP C1CC1[C@H]1CCC[C@@H]([NH2+]C2CCC([NH+]3CCNCC3)CC2)C1 ZINC000415052458 428500130 /nfs/dbraw/zinc/50/01/30/428500130.db2.gz LIBITKJEHMLUCJ-BKVYNOPKSA-N 2 0 305.510 2.761 20 0 DFADRP Cc1cc(C)c(C[NH2+]C2CCC([NH+]3CCNCC3)CC2)c(C)c1 ZINC000415051212 428501046 /nfs/dbraw/zinc/50/10/46/428501046.db2.gz JEXBBZFUDMYPNW-UHFFFAOYSA-N 2 0 315.505 2.918 20 0 DFADRP Clc1ccsc1C[NH2+]C1CCC(N2CC[NH2+]CC2)CC1 ZINC000415051953 428501501 /nfs/dbraw/zinc/50/15/01/428501501.db2.gz KFBHGQNMICAIKV-UHFFFAOYSA-N 2 0 313.898 2.708 20 0 DFADRP CCn1c2ccccc2c2cc(C[N@H+](C)C[C@@H](O)C[NH3+])ccc21 ZINC000415055534 428503411 /nfs/dbraw/zinc/50/34/11/428503411.db2.gz NGVLZDNTHXVHRI-HNNXBMFYSA-N 2 0 311.429 2.566 20 0 DFADRP C[C@H](O)C[NH+]1CCC(C[N@H+](C)C[C@@H]2C[C@H]2c2ccccc2)CC1 ZINC000353364676 428503592 /nfs/dbraw/zinc/50/35/92/428503592.db2.gz OMCWTWNPTUCHTL-VDGAXYAQSA-N 2 0 316.489 2.815 20 0 DFADRP C[C@@H]1CN(C2CC[NH+]([C@@H]3CCC[C@@H](C)C3)CC2)C[C@@]1(C)C[NH3+] ZINC000415058428 428503607 /nfs/dbraw/zinc/50/36/07/428503607.db2.gz ROOSJUHKRXCCRI-PSBWJHGTSA-N 2 0 307.526 2.946 20 0 DFADRP c1cc(N2CCCC2)ncc1C[N@@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000415055012 428504170 /nfs/dbraw/zinc/50/41/70/428504170.db2.gz QOWKQCHZRFVACH-MSOLQXFVSA-N 2 0 314.477 2.646 20 0 DFADRP C[C@H](CC[NH2+]C1CCC([NH+]2CCNCC2)CC1)c1ccccc1 ZINC000415061183 428506428 /nfs/dbraw/zinc/50/64/28/428506428.db2.gz YDQGTRMKUXOJFD-QHGAOEGBSA-N 2 0 315.505 2.986 20 0 DFADRP C[C@H](c1ccccc1)[N@@H+]1CC[C@H](N[C@H](C[NH3+])C2CCCC2)C1 ZINC000415064718 428506720 /nfs/dbraw/zinc/50/67/20/428506720.db2.gz LHENDIDPXOFDLG-AYOQOUSVSA-N 2 0 301.478 2.929 20 0 DFADRP COC(=O)CCCN1CCC([NH2+][C@H]2CCCC(F)(F)C2)CC1 ZINC000360954896 428507372 /nfs/dbraw/zinc/50/73/72/428507372.db2.gz PBBQIBRSEPNCOQ-AWEZNQCLSA-N 2 0 318.408 2.572 20 0 DFADRP Clc1ccccc1C1(C[NH2+]C[C@H]2CCC[NH2+]C2)CCOCC1 ZINC000415075361 428509048 /nfs/dbraw/zinc/50/90/48/428509048.db2.gz DUWPZGFDWABHHZ-HNNXBMFYSA-N 2 0 322.880 2.977 20 0 DFADRP C[C@@H]1C[C@@H](C)[N@H+](CCC(=O)Nc2cccc(Cl)c2)C[C@H]1C[NH3+] ZINC000397349821 428509553 /nfs/dbraw/zinc/50/95/53/428509553.db2.gz HYYPDHZWVYYPMQ-MGPQQGTHSA-N 2 0 323.868 2.974 20 0 DFADRP CC1CC[NH+]([C@@H](CN[C@@H]2CCC[NH2+]C2)c2cccs2)CC1 ZINC000415074899 428509924 /nfs/dbraw/zinc/50/99/24/428509924.db2.gz AYWBFNBJAYSYEH-CVEARBPZSA-N 2 0 307.507 2.863 20 0 DFADRP Fc1ccc(CC[NH+]2CCC(NCCC[NH2+]C3CC3)CC2)cc1 ZINC000415072586 428510629 /nfs/dbraw/zinc/51/06/29/428510629.db2.gz WZDCWBBSBIQBKO-UHFFFAOYSA-N 2 0 319.468 2.564 20 0 DFADRP CC(C)[C@H]([NH2+]C[C@H]1CCC[NH2+]C1)c1ccc2c(c1)OCCO2 ZINC000415081287 428511986 /nfs/dbraw/zinc/51/19/86/428511986.db2.gz MOOJNLQGPSAOIV-KSSFIOAISA-N 2 0 304.434 2.744 20 0 DFADRP [NH3+]C[C@H]1CCC[C@H]1[NH2+]CC1CC[NH+](Cc2ccccc2)CC1 ZINC000397636187 428512006 /nfs/dbraw/zinc/51/20/06/428512006.db2.gz PZKPHRXUWIHJQB-RTBURBONSA-N 3 0 301.478 2.616 20 0 DFADRP C[N@H+](CCN[C@@H]1CC[NH2+][C@@H](c2ccccc2)C1)C1CCCC1 ZINC000415079785 428512813 /nfs/dbraw/zinc/51/28/13/428512813.db2.gz KPDWHCUJOMGHEL-IEBWSBKVSA-N 2 0 301.478 2.944 20 0 DFADRP C[C@H]1C[C@H](C[NH2+]CC2CC[NH+](Cc3ccccc3)CC2)CC[NH2+]1 ZINC000415082635 428513018 /nfs/dbraw/zinc/51/30/18/428513018.db2.gz DKXLZBCMISXERP-FXAWDEMLSA-N 3 0 315.505 2.876 20 0 DFADRP CC(C)(C)[NH2+]CC[NH2+]CC1CC[NH+](Cc2ccccc2)CC1 ZINC000397643378 428513272 /nfs/dbraw/zinc/51/32/72/428513272.db2.gz UBFWQKAXKGYDCY-UHFFFAOYSA-N 3 0 303.494 2.876 20 0 DFADRP c1sc(CCC[NH2+]CC2CC[NH2+]CC2)nc1-c1ccncc1 ZINC000415087539 428514530 /nfs/dbraw/zinc/51/45/30/428514530.db2.gz UWFGKUIKTVICEL-UHFFFAOYSA-N 2 0 316.474 2.727 20 0 DFADRP C[C@@H]1C[C@H]([NH2+][C@@H]2CCCC[C@@H]2C[NH3+])CN1Cc1ccccc1 ZINC000398018166 428514501 /nfs/dbraw/zinc/51/45/01/428514501.db2.gz ILYVJPZVVZOJQB-OQIJWPOYSA-N 2 0 301.478 2.757 20 0 DFADRP COc1ccc(F)cc1C[NH2+]CCCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000360964246 428515510 /nfs/dbraw/zinc/51/55/10/428515510.db2.gz OQUPNOJOPNJXGK-HUUCEWRRSA-N 2 0 324.440 2.813 20 0 DFADRP C[C@]1(C[NH2+]Cc2ccc(N3CCCCCC3)nc2)CC[NH2+]C1 ZINC000415089316 428515864 /nfs/dbraw/zinc/51/58/64/428515864.db2.gz WEKBAEAXJATZSK-SFHVURJKSA-N 2 0 302.466 2.551 20 0 DFADRP C[C@@H]1C[C@H](C[NH2+][C@@H]2CCN(c3c(F)cccc3F)C2)CC[NH2+]1 ZINC000415090172 428516325 /nfs/dbraw/zinc/51/63/25/428516325.db2.gz XLFQZGRXDVRDDF-MGPQQGTHSA-N 2 0 309.404 2.521 20 0 DFADRP CC(C)CC(=O)N1CCC([NH2+][C@@H](C)C[C@@H]2CCCCC[NH2+]2)CC1 ZINC000415085777 428516466 /nfs/dbraw/zinc/51/64/66/428516466.db2.gz QUZBRVMGWQKPEV-WMZOPIPTSA-N 2 0 323.525 2.924 20 0 DFADRP CC1CC[NH+]([C@@H](CNC2CC[NH2+]CC2)c2cccs2)CC1 ZINC000415084477 428516511 /nfs/dbraw/zinc/51/65/11/428516511.db2.gz OOPSTEMETAYAQG-INIZCTEOSA-N 2 0 307.507 2.863 20 0 DFADRP C[C@@H]([NH2+]C1CCC([NH3+])CC1)c1cccc(N2CCCC2=O)c1 ZINC000415087132 428516579 /nfs/dbraw/zinc/51/65/79/428516579.db2.gz UBKFUJYEBTYYBR-IUDNXUCKSA-N 2 0 301.434 2.734 20 0 DFADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1N[C@H]1CCC[NH2+][C@H]1C ZINC000398113435 428517032 /nfs/dbraw/zinc/51/70/32/428517032.db2.gz DVDTXPIMNNXKQT-NEPXVJNWSA-N 2 0 301.478 2.627 20 0 DFADRP Cc1ccc(C[C@H](CO)[NH2+][C@H](C)C[C@@H]2CCCCC[NH2+]2)cc1 ZINC000415094670 428518139 /nfs/dbraw/zinc/51/81/39/428518139.db2.gz FJNVYOQYFFRUDL-NZSAHSFTSA-N 2 0 304.478 2.799 20 0 DFADRP C[C@H](N[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1)[C@@H]1CCCC[NH2+]1 ZINC000398026302 428518824 /nfs/dbraw/zinc/51/88/24/428518824.db2.gz MBFOMZVZAUHZIA-JFRXWTBNSA-N 2 0 301.478 2.770 20 0 DFADRP CC[C@@H](C)C[NH2+]CCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000357411807 428520637 /nfs/dbraw/zinc/52/06/37/428520637.db2.gz IXEMFOAAOBHQHG-GOSISDBHSA-N 2 0 303.494 2.830 20 0 DFADRP CC[NH+](CC)CCOC1CC[NH+](Cc2cnc(C)s2)CC1 ZINC000347272787 428521944 /nfs/dbraw/zinc/52/19/44/428521944.db2.gz YDBJQIKDXRRYMB-UHFFFAOYSA-N 2 0 311.495 2.774 20 0 DFADRP CCC[NH+]1CCC(C[NH2+]Cc2cn(C)nc2C(F)F)CC1 ZINC000360975289 428522929 /nfs/dbraw/zinc/52/29/29/428522929.db2.gz NQVDIDLJWQNMPN-UHFFFAOYSA-N 2 0 300.397 2.569 20 0 DFADRP Cn1ccnc1[C@@H]1CCC[N@H+](Cc2c[nH]nc2C(C)(C)C)C1 ZINC000373229998 428523477 /nfs/dbraw/zinc/52/34/77/428523477.db2.gz PNKNANJBOJUSRN-CYBMUJFWSA-N 2 0 301.438 2.820 20 0 DFADRP C[C@H]1C[C@@H](C[NH+]2CCC3(CC2)OCCc2ccccc23)CC[NH2+]1 ZINC000415109882 428525293 /nfs/dbraw/zinc/52/52/93/428525293.db2.gz SAHPYIGAHLMBST-IRXDYDNUSA-N 2 0 314.473 2.939 20 0 DFADRP CCOc1ccc(C[NH+]2CCC([C@H]3OCCC[C@H]3[NH3+])CC2)cc1 ZINC000415118707 428525795 /nfs/dbraw/zinc/52/57/95/428525795.db2.gz DVXGFLBJGQIEFV-RTBURBONSA-N 2 0 318.461 2.804 20 0 DFADRP CCCOc1ccc(C[N@@H+]2CC[C@H](C)[C@@H](C[NH3+])C2)cc1OC ZINC000415129410 428532068 /nfs/dbraw/zinc/53/20/68/428532068.db2.gz PJMJXERAFRBDFU-HOCLYGCPSA-N 2 0 306.450 2.901 20 0 DFADRP Cc1ccc(-c2ncc(CN3CCCO[C@@H](C[NH3+])C3)s2)cc1 ZINC000415117215 428527701 /nfs/dbraw/zinc/52/77/01/428527701.db2.gz WQWBHELCFLTMKR-HNNXBMFYSA-N 2 0 317.458 2.668 20 0 DFADRP Cc1cc(C[NH+]2CCC([C@H]3C[C@H]([NH3+])CCO3)CC2)ccc1F ZINC000415121228 428527775 /nfs/dbraw/zinc/52/77/75/428527775.db2.gz HSYVLDKUSOWZTE-SJLPKXTDSA-N 2 0 306.425 2.852 20 0 DFADRP COc1ccc2c(c1)OC[C@H]([NH2+][C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1)C2 ZINC000415117615 428527938 /nfs/dbraw/zinc/52/79/38/428527938.db2.gz VTDUQVYXABDFMG-VDHUWJSZSA-N 2 0 316.445 2.509 20 0 DFADRP CCO[C@@H]1C[C@H]([NH2+]C2CC[NH+](C(C)(C)C)CC2)[C@@]12CCCO2 ZINC000361018345 428528892 /nfs/dbraw/zinc/52/88/92/428528892.db2.gz LWUSAFBYDBRYQG-JZXOWHBKSA-N 2 0 310.482 2.566 20 0 DFADRP Cc1cc(C)c(C[N@@H+]2CC3(CC[NH2+]CC3)[C@@H]3COC[C@@H]32)cc1C ZINC000415124167 428529068 /nfs/dbraw/zinc/52/90/68/428529068.db2.gz BTESYRMUDWURRB-MOPGFXCFSA-N 2 0 314.473 2.812 20 0 DFADRP CC[C@@H]1CCC[C@@H](C[N@@H+]2CCC[C@H](n3cc(C[NH3+])nn3)C2)C1 ZINC000415125493 428529138 /nfs/dbraw/zinc/52/91/38/428529138.db2.gz LHDQSIJLROXIFR-INMHGKMJSA-N 2 0 305.470 2.590 20 0 DFADRP C[C@@H](C[C@H]1CCCCC[NH2+]1)[NH2+]CCc1cn2ccccc2n1 ZINC000415122164 428529952 /nfs/dbraw/zinc/52/99/52/428529952.db2.gz ZYZQNOADOYENOQ-JKSUJKDBSA-N 2 0 300.450 2.777 20 0 DFADRP COc1ccc(C[NH+]2CCC([C@@H]3OCCC[C@H]3[NH3+])CC2)cc1F ZINC000415125891 428530387 /nfs/dbraw/zinc/53/03/87/428530387.db2.gz LNEWNENXZHZQSN-AEFFLSMTSA-N 2 0 322.424 2.553 20 0 DFADRP C[C@H](NC[C@@H]1CCC[N@@H+]1Cc1ccccc1)[C@H]1CCCC[NH2+]1 ZINC000390551565 428472444 /nfs/dbraw/zinc/47/24/44/428472444.db2.gz CQNYNUHPGGPHCA-YTQUADARSA-N 2 0 301.478 2.771 20 0 DFADRP COC[C@]1(C[NH2+][C@@H]2CCC[C@H]2Cc2ccccc2)CCC[NH2+]1 ZINC000414964880 428474788 /nfs/dbraw/zinc/47/47/88/428474788.db2.gz YUFYLKXDHRTYDN-IPMKNSEASA-N 2 0 302.462 2.756 20 0 DFADRP COC[C@]1(C[NH2+][C@H]2CCC[C@H]2Cc2ccccc2)CCC[NH2+]1 ZINC000414964878 428475588 /nfs/dbraw/zinc/47/55/88/428475588.db2.gz YUFYLKXDHRTYDN-GBESFXJTSA-N 2 0 302.462 2.756 20 0 DFADRP COC[C@]1(C[NH2+][C@H]2CCC[C@H]2c2ccc(C)cc2)CCC[NH2+]1 ZINC000414962082 428475663 /nfs/dbraw/zinc/47/56/63/428475663.db2.gz VWWYPNKSVYKGMZ-GBESFXJTSA-N 2 0 302.462 2.989 20 0 DFADRP C[C@@H](CCc1ccc2c(c1)OCO2)[NH2+]CCC[C@H]1CCC[NH2+]1 ZINC000414964509 428476120 /nfs/dbraw/zinc/47/61/20/428476120.db2.gz MHSXWZKCNYOGBM-HOCLYGCPSA-N 2 0 304.434 2.858 20 0 DFADRP c1nc(-c2ccncc2)sc1C[NH2+]CCC[C@H]1CCC[NH2+]1 ZINC000414963088 428476299 /nfs/dbraw/zinc/47/62/99/428476299.db2.gz COODRQKKSUMRIE-AWEZNQCLSA-N 2 0 302.447 2.827 20 0 DFADRP C[C@H]1C[NH2+]CC[C@@H]1[NH2+]Cc1ccc(OCC(F)(F)F)cc1 ZINC000414968893 428476865 /nfs/dbraw/zinc/47/68/65/428476865.db2.gz YQUURURVDXWPJA-FZMZJTMJSA-N 2 0 302.340 2.715 20 0 DFADRP COCC1(C[NH2+]Cc2cc3cc(OC)ccc3o2)CC[NH2+]CC1 ZINC000414971344 428477313 /nfs/dbraw/zinc/47/73/13/428477313.db2.gz IUGBLNCSNCMWQZ-UHFFFAOYSA-N 2 0 318.417 2.547 20 0 DFADRP C[N@@H+]1CCC[C@@H]1CN[C@@H]1CC[NH+](Cc2ccccc2)CC1(C)C ZINC000390915887 428477973 /nfs/dbraw/zinc/47/79/73/428477973.db2.gz UHTRNXWMQAKWJW-RTBURBONSA-N 2 0 315.505 2.971 20 0 DFADRP COc1ccccc1O[C@H](C)C[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@@H]21 ZINC000353530478 428581835 /nfs/dbraw/zinc/58/18/35/428581835.db2.gz SRBUXTNPPDOTMP-VQHPVUNQSA-N 2 0 318.461 2.925 20 0 DFADRP COC1(C[N@H+](C)C[C@H]2CCN(C)[C@@H]2c2cccnc2)CCCC1 ZINC000361610427 428583568 /nfs/dbraw/zinc/58/35/68/428583568.db2.gz MVJJTHYIEFJAEN-QZTJIDSGSA-N 2 0 317.477 2.965 20 0 DFADRP CSc1ccc(C[NH+]2CCC(OCC[NH+](C)C)CC2)cc1 ZINC000353541885 428584713 /nfs/dbraw/zinc/58/47/13/428584713.db2.gz JOKSOCBHMJTFPI-UHFFFAOYSA-N 2 0 308.491 2.951 20 0 DFADRP [NH3+]Cc1cn([C@@H]2CCC[N@H+](Cc3ccc4ccccc4c3)C2)nn1 ZINC000415128530 428532267 /nfs/dbraw/zinc/53/22/67/428532267.db2.gz OGKXNIZCJNRGRW-LJQANCHMSA-N 2 0 321.428 2.727 20 0 DFADRP COCc1cccc(C[NH+]2CCC([C@@H]3C[C@@H]([NH3+])CCO3)CC2)c1 ZINC000415131662 428532488 /nfs/dbraw/zinc/53/24/88/428532488.db2.gz ZXNCIQWOMMNPCY-OALUTQOASA-N 2 0 318.461 2.551 20 0 DFADRP [NH3+][C@H]1CCO[C@@H](C2CC[NH+](Cc3cc(F)cc(F)c3)CC2)C1 ZINC000415129694 428532931 /nfs/dbraw/zinc/53/29/31/428532931.db2.gz VQNHRTZSHANJRO-DLBZAZTESA-N 2 0 310.388 2.683 20 0 DFADRP C[C@H](CC[N@@H+]1CC2(CC[NH2+]CC2)[C@@H]2COC[C@@H]21)c1ccccc1 ZINC000415137719 428533992 /nfs/dbraw/zinc/53/39/92/428533992.db2.gz JDIWZYWFNDFCPS-QRQLOZEOSA-N 2 0 314.473 2.881 20 0 DFADRP Cc1ccc(C[NH+]2CCC([C@@H]3OCCC[C@@H]3[NH3+])CC2)cc1F ZINC000415137205 428534574 /nfs/dbraw/zinc/53/45/74/428534574.db2.gz XYFLJNFYJHCQOL-ROUUACIJSA-N 2 0 306.425 2.852 20 0 DFADRP COc1ccc(OC)c(C[NH2+][C@@H]2CC[N@H+](C)[C@H]3CCC[C@H]32)c1 ZINC000353433968 428534758 /nfs/dbraw/zinc/53/47/58/428534758.db2.gz HSWSVXAHXCRXMS-BBWFWOEESA-N 2 0 304.434 2.666 20 0 DFADRP C[C@H]1CC[N@H+](Cc2cn(C)nc2-c2cccs2)C[C@@H]1C[NH3+] ZINC000415136607 428535579 /nfs/dbraw/zinc/53/55/79/428535579.db2.gz XKDUNGMIFHTSJA-STQMWFEESA-N 2 0 304.463 2.565 20 0 DFADRP C[NH+]1CCN(c2ccc(C[NH2+][C@H]3CCc4ccccc43)cn2)CC1 ZINC000130464403 273900139 /nfs/dbraw/zinc/90/01/39/273900139.db2.gz RYABVGFJDUYABR-IBGZPJMESA-N 2 0 322.456 2.611 20 0 DFADRP C[NH+](C)[C@H](CN[C@@H]1CC[N@H+](C)[C@@H]2CCC[C@H]21)c1ccccc1 ZINC000353438785 428536180 /nfs/dbraw/zinc/53/61/80/428536180.db2.gz VULKAKCOXXNUQI-WJFTUGDTSA-N 2 0 301.478 2.752 20 0 DFADRP Cc1ccccc1-c1cccc(C[NH+]2CCC(O)(C[NH3+])CC2)c1 ZINC000415146606 428536716 /nfs/dbraw/zinc/53/67/16/428536716.db2.gz YTMJHDLUMACZDI-UHFFFAOYSA-N 2 0 310.441 2.948 20 0 DFADRP CCCc1cccc(C[N@@H+]2CC3(CC[NH2+]CC3)[C@@H]3COC[C@@H]32)c1 ZINC000415141709 428537086 /nfs/dbraw/zinc/53/70/86/428537086.db2.gz PVKPFRVKOBSXSC-MOPGFXCFSA-N 2 0 314.473 2.840 20 0 DFADRP C[N@@H+]1CC[C@H]([NH2+]Cc2cccc(Cn3ccnc3)c2)[C@@H]2CCC[C@@H]21 ZINC000353439351 428538135 /nfs/dbraw/zinc/53/81/35/428538135.db2.gz WRSLWCZLDRNOTQ-UFYCRDLUSA-N 2 0 324.472 2.894 20 0 DFADRP CN(C)[C@H](C[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@@H]21)c1ccsc1 ZINC000353449746 428538839 /nfs/dbraw/zinc/53/88/39/428538839.db2.gz SFWZOGTYMAJWSR-WCXIOVBPSA-N 2 0 307.507 2.813 20 0 DFADRP CN(Cc1ccnn1-c1ccc(F)cc1)C[C@@H]1CCC[N@H+](C)C1 ZINC000353446018 428539071 /nfs/dbraw/zinc/53/90/71/428539071.db2.gz FJXSUHOCDMGAOK-OAHLLOKOSA-N 2 0 316.424 2.785 20 0 DFADRP C[N@@H+]1CCC[C@H]1CC[NH+]1CCC(O)(Cc2ccccc2F)CC1 ZINC000373285047 428540869 /nfs/dbraw/zinc/54/08/69/428540869.db2.gz NHTUEYCIHINZKD-KRWDZBQOSA-N 2 0 320.452 2.679 20 0 DFADRP CC(C)[C@H](C[N@H+](C)Cc1ccccc1)N[C@@H](C)[C@@H]1CCC[NH2+]1 ZINC000400454641 428545553 /nfs/dbraw/zinc/54/55/53/428545553.db2.gz RZRALHZIDPUAQX-WDSOQIARSA-N 2 0 303.494 2.873 20 0 DFADRP C[C@H](C[NH2+][C@@H](C)[C@@H]1CCCN1C(=O)OC(C)(C)C)C[NH+](C)C ZINC000400449739 428545711 /nfs/dbraw/zinc/54/57/11/428545711.db2.gz QNCQAYULRLBABF-ILXRZTDVSA-N 2 0 313.486 2.562 20 0 DFADRP CN(C)[C@H](C[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@@H]21)c1ccc(F)cc1 ZINC000353454988 428545834 /nfs/dbraw/zinc/54/58/34/428545834.db2.gz NBWYLIVALMNSSD-AKHDSKFASA-N 2 0 319.468 2.891 20 0 DFADRP C[C@H](NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)[C@@H]1CC[NH2+]C1 ZINC000400478455 428546342 /nfs/dbraw/zinc/54/63/42/428546342.db2.gz VQDVMDHKUPBIGC-NTHMGXEOSA-N 2 0 313.489 2.770 20 0 DFADRP c1ccc(COCCCC[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC000400909717 428550302 /nfs/dbraw/zinc/55/03/02/428550302.db2.gz AXZCXKSWXBNRMW-GBESFXJTSA-N 2 0 302.462 2.961 20 0 DFADRP Brc1ccccc1C[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000400979150 428550314 /nfs/dbraw/zinc/55/03/14/428550314.db2.gz HTDCQMVOJHAYEY-IACUBPJLSA-N 2 0 309.251 2.927 20 0 DFADRP Brc1cc(C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)cs1 ZINC000401061342 428551366 /nfs/dbraw/zinc/55/13/66/428551366.db2.gz XHEKDTCUQDPLPX-GRYCIOLGSA-N 2 0 315.280 2.988 20 0 DFADRP CC(C)[C@@H]1CCC[C@@H]([NH2+][C@@H]2CCN(C3CC[NH+](C)CC3)C2)C1 ZINC000373392968 428564757 /nfs/dbraw/zinc/56/47/57/428564757.db2.gz KNAWYTMPEMHQNM-KZNAEPCWSA-N 2 0 307.526 2.959 20 0 DFADRP C[C@@H]1CN(C(=O)CCCC[NH3+])[C@H](C)[C@@H](C)[N@@H+]1Cc1ccccc1 ZINC000404314470 428566792 /nfs/dbraw/zinc/56/67/92/428566792.db2.gz NIDKIBFBUZFMOJ-BRWVUGGUSA-N 2 0 317.477 2.625 20 0 DFADRP c1ccc([C@H]([NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)[C@@H]2CCOC2)cc1 ZINC000357840376 428567654 /nfs/dbraw/zinc/56/76/54/428567654.db2.gz KBZGZJKJFFUGDB-YRXWBPOGSA-N 2 0 300.446 2.981 20 0 DFADRP Cc1cc(Cl)cc(C[N@H+](C)CCCN2CC[NH+](C)CC2)c1 ZINC000353500625 428567681 /nfs/dbraw/zinc/56/76/81/428567681.db2.gz GJJSXVOVZFLMPF-UHFFFAOYSA-N 2 0 309.885 2.718 20 0 DFADRP CCC[C@H]([NH2+]C(C)C)C(=O)NC[C@H](C)[N@H+](C)Cc1ccccc1 ZINC000353501363 428568065 /nfs/dbraw/zinc/56/80/65/428568065.db2.gz MOQYKKQJGKLAGK-WMZOPIPTSA-N 2 0 319.493 2.790 20 0 DFADRP CCOc1ccccc1OCC[N@@H+]1CCC[C@@H](C)[C@H]1CC[NH3+] ZINC000404399312 428570060 /nfs/dbraw/zinc/57/00/60/428570060.db2.gz QBKXFLBRISRFQU-HZPDHXFCSA-N 2 0 306.450 2.913 20 0 DFADRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H](CC)[C@H]2CCOC2)[C@@H](C)C1 ZINC000361491930 428570276 /nfs/dbraw/zinc/57/02/76/428570276.db2.gz BPOCPCLNRJUHNP-FJIDUMEYSA-N 2 0 312.498 2.528 20 0 DFADRP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCn3ccnc3C2)CCN1Cc1ccccc1 ZINC000361455798 428571436 /nfs/dbraw/zinc/57/14/36/428571436.db2.gz FYRXCOFQWULQPP-NZSAHSFTSA-N 2 0 324.472 2.841 20 0 DFADRP CC(C)[C@@H](CNC1CC[NH+](C)CC1)[N@@H+]1CCc2ccccc2C1 ZINC000358002568 428574836 /nfs/dbraw/zinc/57/48/36/428574836.db2.gz GRJOKCPBJWTKNQ-HXUWFJFHSA-N 2 0 315.505 2.753 20 0 DFADRP CC(C)C[C@@H](CNC(=O)[C@@H](C(C)C)[NH+]1CCCCC1)[NH+](C)C ZINC000358047350 428577267 /nfs/dbraw/zinc/57/72/67/428577267.db2.gz QQTKSTQOODLIJP-DLBZAZTESA-N 2 0 311.514 2.589 20 0 DFADRP C1C([NH2+][C@@H]2[C@H]3CCO[C@@H]3C23CCCC3)CC1[NH+]1CCCCC1 ZINC000373524985 428597821 /nfs/dbraw/zinc/59/78/21/428597821.db2.gz WLSGYETVQZUPKL-ILEACXBISA-N 2 0 304.478 2.941 20 0 DFADRP CCC(C)(C)[NH2+][C@H](C)C(=O)NCCCC[N@@H+]1CCC[C@@H](C)C1 ZINC000347532554 428598470 /nfs/dbraw/zinc/59/84/70/428598470.db2.gz UMRYHTHBJZSJNR-HZPDHXFCSA-N 2 0 311.514 2.781 20 0 DFADRP CC[N@@H+]1CC[C@H]([NH2+][C@H]2CCN(C(C)=O)c3ccccc32)[C@H](C)C1 ZINC000358374725 428599264 /nfs/dbraw/zinc/59/92/64/428599264.db2.gz OZIRTZUXIURKEV-JLSDUUJJSA-N 2 0 315.461 2.804 20 0 DFADRP CC(C)Oc1ccc([C@H](C)[NH2+]CC2(O)CC[NH+](C)CC2)cc1 ZINC000361884782 428603497 /nfs/dbraw/zinc/60/34/97/428603497.db2.gz FVCZQEWIHKJDOJ-HNNXBMFYSA-N 2 0 306.450 2.581 20 0 DFADRP CSC[C@H](O)C[N@H+](C)C1CC[NH+](C2CCC(C)CC2)CC1 ZINC000373600562 428615882 /nfs/dbraw/zinc/61/58/82/428615882.db2.gz DIULEACDIGPMRC-BDVYOWHSSA-N 2 0 314.539 2.685 20 0 DFADRP CCN(CC[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@H]21)CCC(F)(F)F ZINC000353608009 428619409 /nfs/dbraw/zinc/61/94/09/428619409.db2.gz QUOHMZNVIKGBBM-RRFJBIMHSA-N 2 0 321.431 2.723 20 0 DFADRP CC[N@@H+]1CC[C@@H](N(C)C(=O)Nc2cccc(C[NH2+]C)c2)C[C@H]1C ZINC000415948854 428634676 /nfs/dbraw/zinc/63/46/76/428634676.db2.gz YVDNOLWHOFVCCQ-RHSMWYFYSA-N 2 0 318.465 2.743 20 0 DFADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]C[C@@]1(C)OCCc2sccc21 ZINC000353621592 428625855 /nfs/dbraw/zinc/62/58/55/428625855.db2.gz KOAXIXUBSJIGSY-LNCBFAARSA-N 2 0 308.491 2.854 20 0 DFADRP CC[C@H]1CCCC[N@@H+]1CCNC(=O)Nc1cccc(C[NH2+]C)c1 ZINC000415917667 428626720 /nfs/dbraw/zinc/62/67/20/428626720.db2.gz JQCQGLWGLFZXBL-KRWDZBQOSA-N 2 0 318.465 2.792 20 0 DFADRP CCC1(CC)[C@H]([NH2+]C2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)C[C@@H]1OC ZINC000344301955 428628854 /nfs/dbraw/zinc/62/88/54/428628854.db2.gz RYGJEPNYUHAYPS-TVFCKZIOSA-N 2 0 324.509 2.548 20 0 DFADRP C[C@H]([NH2+]CC1=CC[N@H+](C)CC1)c1cccc(N2CCCC2=O)c1 ZINC000344299962 428629435 /nfs/dbraw/zinc/62/94/35/428629435.db2.gz GNBVUZINDIFWDU-HNNXBMFYSA-N 2 0 313.445 2.726 20 0 DFADRP CC(C)C[N@@H+]1CCC[C@H](C[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)C1 ZINC000344302006 428629573 /nfs/dbraw/zinc/62/95/73/428629573.db2.gz VKJGFHHWQLKSBM-XDNAFOTISA-N 2 0 306.494 2.902 20 0 DFADRP CC[NH2+]Cc1ccccc1NC(=O)NCCCn1ccnc1C ZINC000415934151 428630077 /nfs/dbraw/zinc/63/00/77/428630077.db2.gz RGHCDMANYLISRK-UHFFFAOYSA-N 2 0 315.421 2.513 20 0 DFADRP CCCCn1cc(C[NH2+][C@@H]2CC[N@H+](C)[C@@H]3CCC[C@H]32)c(C)n1 ZINC000353628792 428631585 /nfs/dbraw/zinc/63/15/85/428631585.db2.gz BWAZIROJPFGQDL-RCCFBDPRSA-N 2 0 304.482 2.954 20 0 DFADRP CC[NH2+]Cc1cccc(NC(=O)NCC[NH+]2CCC(C)CC2)c1 ZINC000415936665 428631706 /nfs/dbraw/zinc/63/17/06/428631706.db2.gz UHDXKFVJFTXKRI-UHFFFAOYSA-N 2 0 318.465 2.650 20 0 DFADRP CC[NH2+]Cc1cccc(NC(=O)N2CC[N@H+](CC)C[C@H]2CC)c1 ZINC000415933904 428631850 /nfs/dbraw/zinc/63/18/50/428631850.db2.gz PCACUOJPWHBKOP-QGZVFWFLSA-N 2 0 318.465 2.744 20 0 DFADRP CC[N@@H+]1CC[C@@H](N(C)C(=O)Nc2cccc(C[NH2+]C)c2)[C@H](C)C1 ZINC000415947646 428632419 /nfs/dbraw/zinc/63/24/19/428632419.db2.gz WYSLSAKGQOGNDB-RHSMWYFYSA-N 2 0 318.465 2.600 20 0 DFADRP CCC[N@H+](CC)C[C@@H](C)NC(=O)Nc1cccc(C[NH2+]C)c1 ZINC000415939042 428632972 /nfs/dbraw/zinc/63/29/72/428632972.db2.gz ZRZOEGAJLNWHSV-CQSZACIVSA-N 2 0 306.454 2.648 20 0 DFADRP C[NH2+]Cc1cccc(NC(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)c1 ZINC000415941021 428633935 /nfs/dbraw/zinc/63/39/35/428633935.db2.gz GATZKCUOJLPJBV-ZDUSSCGKSA-N 2 0 306.454 2.504 20 0 DFADRP COCC[N@H+](C)CCC[NH2+][C@H]1CCCc2ccc(OC)cc21 ZINC000268837112 274022632 /nfs/dbraw/zinc/02/26/32/274022632.db2.gz SJJBWELDOSJWLU-SFHVURJKSA-N 2 0 306.450 2.631 20 0 DFADRP CC[N@@H+]1CC[C@H]([NH2+][C@@H]2CCOC3(CCSCC3)C2)[C@H](C)C1 ZINC000358311919 428595987 /nfs/dbraw/zinc/59/59/87/428595987.db2.gz ABEVENBTTSHEOB-OAGGEKHMSA-N 2 0 312.523 2.751 20 0 DFADRP C[N@@H+]1CC[C@H]([NH2+]CCNc2ccc3ccccc3n2)[C@@H]2CCC[C@@H]21 ZINC000353647232 428636550 /nfs/dbraw/zinc/63/65/50/428636550.db2.gz QZHVPNOTLKDBGF-WDSOQIARSA-N 2 0 324.472 3.109 20 0 DFADRP C[C@H](CNC(=O)Nc1ccc(C[NH3+])cc1)[N@@H+]1CCCC[C@H]1C ZINC000415972152 428637172 /nfs/dbraw/zinc/63/71/72/428637172.db2.gz HJMYADQIENVQHR-ZIAGYGMSSA-N 2 0 304.438 2.530 20 0 DFADRP C[NH2+]Cc1ccc(NC(=O)N[C@H](C)C[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000415970498 428637751 /nfs/dbraw/zinc/63/77/51/428637751.db2.gz IFZQVWFABIARGG-HUUCEWRRSA-N 2 0 318.465 2.648 20 0 DFADRP C[NH2+]Cc1ccc(NC(=O)N[C@H](C)C[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000415970500 428638054 /nfs/dbraw/zinc/63/80/54/428638054.db2.gz IFZQVWFABIARGG-LSDHHAIUSA-N 2 0 318.465 2.648 20 0 DFADRP C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)Nc1ccc(C[NH3+])cc1 ZINC000415967197 428638656 /nfs/dbraw/zinc/63/86/56/428638656.db2.gz BDYLWJGQWASQSM-OAHLLOKOSA-N 2 0 318.465 2.921 20 0 DFADRP C[NH2+]Cc1ccc(NC(=O)NCCC[NH2+]C2CCCCC2)cc1 ZINC000415977819 428639255 /nfs/dbraw/zinc/63/92/55/428639255.db2.gz YVFUFWKJVGPHGG-UHFFFAOYSA-N 2 0 318.465 2.840 20 0 DFADRP C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)Nc2ccc(C[NH3+])cc2)C1 ZINC000415975671 428640139 /nfs/dbraw/zinc/64/01/39/428640139.db2.gz MQLXOKTWRAWGBR-CQSZACIVSA-N 2 0 318.465 2.777 20 0 DFADRP C[NH2+]Cc1ccc(NC(=O)N(CC[NH+](C)C)C2CCCC2)cc1 ZINC000415974610 428640262 /nfs/dbraw/zinc/64/02/62/428640262.db2.gz RDQMTDKXLLLFBY-UHFFFAOYSA-N 2 0 318.465 2.744 20 0 DFADRP C[C@@H]1C[C@@H]([NH2+]C[C@@](C)(O)C2CC2)CCN1Cc1ccccc1 ZINC000358720768 428641287 /nfs/dbraw/zinc/64/12/87/428641287.db2.gz VTWXNJGTWDIMMT-AYOQOUSVSA-N 2 0 302.462 2.790 20 0 DFADRP CC[C@]1(C(=O)NCC(C)(C)[NH2+][C@@H](C)c2ccccc2)CC[NH2+]C1 ZINC000362158195 428641502 /nfs/dbraw/zinc/64/15/02/428641502.db2.gz CXAUARVAYOHDKA-KXBFYZLASA-N 2 0 317.477 2.622 20 0 DFADRP CC[N@@H+]1CC[C@@H](N(C)C(=O)Nc2cccc(C[NH2+]C)c2)C[C@@H]1C ZINC000415948855 428635418 /nfs/dbraw/zinc/63/54/18/428635418.db2.gz YVDNOLWHOFVCCQ-WMLDXEAASA-N 2 0 318.465 2.743 20 0 DFADRP C[C@@H]1CCC[C@@H]([NH+]2CCC([NH2+][C@@H]3CCc4nc[nH]c4C3)CC2)C1 ZINC000353642000 428635503 /nfs/dbraw/zinc/63/55/03/428635503.db2.gz KINVGCNJVKQCJI-DJIMGWMZSA-N 2 0 316.493 2.900 20 0 DFADRP C[N@@H+]1CC[C@H]([NH2+]CCNc2ccc3ccccc3n2)[C@@H]2CCC[C@H]21 ZINC000353647233 428635852 /nfs/dbraw/zinc/63/58/52/428635852.db2.gz QZHVPNOTLKDBGF-YTQUADARSA-N 2 0 324.472 3.109 20 0 DFADRP CC(C)C[C@H]([NH3+])C(=O)NC[C@@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000353664724 428646244 /nfs/dbraw/zinc/64/62/44/428646244.db2.gz QGBYLHUSZCRYPE-OFQRWUPVSA-N 2 0 323.506 2.621 20 0 DFADRP COc1cccc2c1CC[C@H]([NH2+]CCC1CC[NH+](C)CC1)C2 ZINC000192441892 274153347 /nfs/dbraw/zinc/15/33/47/274153347.db2.gz VTALVMNXKMUDGN-KRWDZBQOSA-N 2 0 302.462 2.874 20 0 DFADRP C[C@@H](CN1CC[NH+](C)CC1)[NH2+][C@@H](C)c1cc2c(s1)CCCC2 ZINC000154976799 274219054 /nfs/dbraw/zinc/21/90/54/274219054.db2.gz DYLQNTJYWZYDMN-GJZGRUSLSA-N 2 0 321.534 2.913 20 0 DFADRP CC[N@H+](CCC1CC[NH+]([C@H](C)C(=O)N(C)C)CC1)CC(C)C ZINC000358742471 428654771 /nfs/dbraw/zinc/65/47/71/428654771.db2.gz FFZXFQZODLPBTJ-MRXNPFEDSA-N 2 0 311.514 2.543 20 0 DFADRP C[C@@H]([NH2+]CCC1CC[NH+](C)CC1)c1nc2ccccc2n1C ZINC000091333215 274246709 /nfs/dbraw/zinc/24/67/09/274246709.db2.gz SZFBVFFMRXVSBY-CQSZACIVSA-N 2 0 300.450 2.956 20 0 DFADRP c1cc(COc2ccc(CN3C[C@H]4CCC[NH2+][C@H]4C3)cc2)ccn1 ZINC000353690900 428660519 /nfs/dbraw/zinc/66/05/19/428660519.db2.gz SIHNUSWSXOAGNU-QUCCMNQESA-N 2 0 323.440 2.844 20 0 DFADRP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]C[C@H]1CCN(c2ccc(F)cc2)C1 ZINC000360575476 274334916 /nfs/dbraw/zinc/33/49/16/274334916.db2.gz YBSXRQJSDVCFQR-RKVPGOIHSA-N 2 0 305.441 2.582 20 0 DFADRP CCO[C@@H]1C[C@@H]([NH2+]C2CC[NH+](CC(C)C)CC2)[C@H]1SC ZINC000362307349 428696612 /nfs/dbraw/zinc/69/66/12/428696612.db2.gz YUEXNAZHVJKPHS-BZUAXINKSA-N 2 0 300.512 2.605 20 0 DFADRP CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H](C1CC1)[NH+]1CCCC1 ZINC000353764410 428704509 /nfs/dbraw/zinc/70/45/09/428704509.db2.gz XYBRFDRVFUMHQM-QZTJIDSGSA-N 2 0 321.509 2.632 20 0 DFADRP C[C@@H](C[N@@H+]1CCN(C2CC[NH+](C)CC2)[C@H](C)C1)c1ccccc1 ZINC000374610768 428712641 /nfs/dbraw/zinc/71/26/41/428712641.db2.gz HTGLDMLYQFARPW-ZWKOTPCHSA-N 2 0 315.505 2.890 20 0 DFADRP COCCc1nc(C)c([C@H](C)N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)s1 ZINC000362343961 428713231 /nfs/dbraw/zinc/71/32/31/428713231.db2.gz XFCXPTFHPUJMNS-CFVMTHIKSA-N 2 0 323.506 2.918 20 0 DFADRP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+](CC1CCC1)[C@H](C)CO ZINC000348356047 428717178 /nfs/dbraw/zinc/71/71/78/428717178.db2.gz NPJLIHHSWFDRGO-CQSZACIVSA-N 2 0 314.433 2.559 20 0 DFADRP CSC1(C[N@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)CC1 ZINC000348362739 428720515 /nfs/dbraw/zinc/72/05/15/428720515.db2.gz ZHTDUBCIWKSCGJ-CALCHBBNSA-N 2 0 302.487 2.946 20 0 DFADRP CCCCNC(=O)C1([NH2+]CC[C@@H]2CCC[N@@H+]2C)CCCCC1 ZINC000348257336 428681716 /nfs/dbraw/zinc/68/17/16/428681716.db2.gz RNYAJELVCCEXEW-INIZCTEOSA-N 2 0 309.498 2.680 20 0 DFADRP C[C@H]([NH2+]CC[C@@H]1CCOC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000348259499 428682832 /nfs/dbraw/zinc/68/28/32/428682832.db2.gz FZHHKROELYQDMV-UHOSZYNNSA-N 2 0 302.462 2.913 20 0 DFADRP CC[C@H](C(=O)NC[C@@H](C1CCCCC1)[NH+](C)C)[NH+](CC)CC ZINC000344648565 428688151 /nfs/dbraw/zinc/68/81/51/428688151.db2.gz DGJSZNMGKXTANU-SJORKVTESA-N 2 0 311.514 2.734 20 0 DFADRP CC1(C)CCCN(CC[NH2+][C@H]2CCO[C@H](C(F)(F)F)C2)C1 ZINC000348276167 428690376 /nfs/dbraw/zinc/69/03/76/428690376.db2.gz CXXUIGZIXUVMOP-STQMWFEESA-N 2 0 308.388 2.808 20 0 DFADRP CC(C)(C[NH2+][C@@H]1CCO[C@@H](C(F)(F)F)C1)C[NH+]1CCCC1 ZINC000348273672 428690545 /nfs/dbraw/zinc/69/05/45/428690545.db2.gz AUANRQANXAMCNA-CHWSQXEVSA-N 2 0 308.388 2.808 20 0 DFADRP Clc1ccc(CC[NH2+]C2CC[NH+](C[C@@H]3CCOC3)CC2)cc1 ZINC000362297724 428694802 /nfs/dbraw/zinc/69/48/02/428694802.db2.gz DDEJBWBUJDYWSA-INIZCTEOSA-N 2 0 322.880 2.973 20 0 DFADRP CCS[C@@H]1CCC[C@@H]1[NH2+]CCCN1CC[NH+](C(C)C)CC1 ZINC000348476027 428755167 /nfs/dbraw/zinc/75/51/67/428755167.db2.gz FVJYGYYBQIECBN-DLBZAZTESA-N 2 0 313.555 2.666 20 0 DFADRP c1cc(CN2CC[N@@H+]3CCC[C@@H]3C2)cc(C[NH+]2CCCCC2)c1 ZINC000411253913 428767309 /nfs/dbraw/zinc/76/73/09/428767309.db2.gz HHATZUWPJCNCMT-HXUWFJFHSA-N 2 0 313.489 2.953 20 0 DFADRP CC[N@@H+]1CC[C@@H]([NH2+]CCc2ccc(OC)cc2OC)[C@@H](C)C1 ZINC000345146529 428773306 /nfs/dbraw/zinc/77/33/06/428773306.db2.gz BDSZDYLCEDOTPA-WMLDXEAASA-N 2 0 306.450 2.566 20 0 DFADRP C[N@H+]1CC=C(C[NH2+]Cc2ccc(OCC(F)(F)F)cc2)CC1 ZINC000345171277 428782031 /nfs/dbraw/zinc/78/20/31/428782031.db2.gz VHMGRSGEYNPIPQ-UHFFFAOYSA-N 2 0 314.351 2.979 20 0 DFADRP CC(C)(C)[C@H]([NH2+]Cc1ccc(C[NH+]2CCCCC2)cc1)C(N)=O ZINC000411368629 428784655 /nfs/dbraw/zinc/78/46/55/428784655.db2.gz OPXGQJNSTMNAFQ-QGZVFWFLSA-N 2 0 317.477 2.662 20 0 DFADRP COC(=O)C[C@@H]1CC[C@H]([NH2+]CCC[N@@H+]2CCCC[C@H]2C)[C@@H]1C ZINC000353944126 428789174 /nfs/dbraw/zinc/78/91/74/428789174.db2.gz JSYKXTKZKRVNBD-NCOADZHNSA-N 2 0 310.482 2.818 20 0 DFADRP Cc1ccc(CCC[N@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@H]32)cn1 ZINC000353828106 428737402 /nfs/dbraw/zinc/73/74/02/428737402.db2.gz QIPXFLYIQOTFDR-IPMKNSEASA-N 2 0 317.477 2.506 20 0 DFADRP CNC(=O)CCC[N@H+](C)Cc1cccc(C[NH+]2CCCCC2)c1 ZINC000411402111 428792115 /nfs/dbraw/zinc/79/21/15/428792115.db2.gz OVQBUVWYXLTFPE-UHFFFAOYSA-N 2 0 317.477 2.631 20 0 DFADRP CC[N@@H+]1CC[C@@H]([NH2+]Cc2ccc(OCCCOC)cc2)[C@@H](C)C1 ZINC000353851804 428749233 /nfs/dbraw/zinc/74/92/33/428749233.db2.gz ANJJFNNUFSXSDK-QFBILLFUSA-N 2 0 320.477 2.922 20 0 DFADRP C[N@@H+]1CCCN(Cc2ccc(C[NH+]3CCCCC3)cc2)CC1 ZINC000411153109 428749413 /nfs/dbraw/zinc/74/94/13/428749413.db2.gz IUAXLNSQAIKJGH-UHFFFAOYSA-N 2 0 301.478 2.810 20 0 DFADRP CCOC[C@H](C)[NH2+]Cc1ccc(OC2CC[NH+](C)CC2)cc1 ZINC000375305094 428848156 /nfs/dbraw/zinc/84/81/56/428848156.db2.gz YVQGTTSQKVBGGS-HNNXBMFYSA-N 2 0 306.450 2.674 20 0 DFADRP CC[C@H](C(=O)NC1CC[NH+](CC2CCCC2)CC1)[NH+](CC)CC ZINC000345206716 428798794 /nfs/dbraw/zinc/79/87/94/428798794.db2.gz JBPJPCJWAFXFHX-GOSISDBHSA-N 2 0 323.525 2.878 20 0 DFADRP Cc1cc(CC[NH2+][C@H](C)c2ccc(OCC[NH+](C)C)cc2)on1 ZINC000353978369 428803192 /nfs/dbraw/zinc/80/31/92/428803192.db2.gz KOYUODLJUURXKB-OAHLLOKOSA-N 2 0 317.433 2.817 20 0 DFADRP CC(C)[NH+]1CCC(NC(=O)C[NH2+][C@H]2CCC(C)(C)C[C@@H]2C)CC1 ZINC000411550686 428815758 /nfs/dbraw/zinc/81/57/58/428815758.db2.gz LELLNDRXSDCBLD-RDJZCZTQSA-N 2 0 323.525 2.780 20 0 DFADRP C[C@@H]1C[N@H+](Cc2cccc(C[NH+]3CCCCC3)c2)CC[C@H]1O ZINC000411562759 428817465 /nfs/dbraw/zinc/81/74/65/428817465.db2.gz BYISKQJHJBYHEL-VQIMIIECSA-N 2 0 302.462 2.875 20 0 DFADRP CN1CC[C@@H](C[N@H+](C)C[C@@H]2CCC(C)(C)O2)[C@@H]1c1cccnc1 ZINC000411584684 428818330 /nfs/dbraw/zinc/81/83/30/428818330.db2.gz QVRZGPVXASKQRT-BZSNNMDCSA-N 2 0 317.477 2.964 20 0 DFADRP CC[C@H]1CCCC[C@H]1[N@H+](C)CC(=O)NC1CC[NH+](C(C)C)CC1 ZINC000411599729 428822108 /nfs/dbraw/zinc/82/21/08/428822108.db2.gz COJQVPOITCRGDG-FUHWJXTLSA-N 2 0 323.525 2.876 20 0 DFADRP C[C@H]1CC[N@H+](Cc2cccc(C[NH+]3CCCCC3)c2)[C@H]1CO ZINC000411620002 428825485 /nfs/dbraw/zinc/82/54/85/428825485.db2.gz PJIDKLZSVOEUPN-LPHOPBHVSA-N 2 0 302.462 2.875 20 0 DFADRP CC[N@@H+]1CC[C@H](CN[C@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)C1 ZINC000359117265 428825739 /nfs/dbraw/zinc/82/57/39/428825739.db2.gz SFRMQAJNIVDHAN-RLLQIKCJSA-N 2 0 315.505 2.971 20 0 DFADRP Cc1ccoc1C[NH+]1CCC(N2CC[NH+](C(C)C)CC2)CC1 ZINC000354033000 428832632 /nfs/dbraw/zinc/83/26/32/428832632.db2.gz GUTZXKMHYJOVTQ-UHFFFAOYSA-N 2 0 305.466 2.578 20 0 DFADRP c1cc(C[N@@H+]2CC[C@H](Oc3ccncc3)C2)c2c(c1)OCCO2 ZINC000354034078 428833642 /nfs/dbraw/zinc/83/36/42/428833642.db2.gz OYTDAMQQMLXTNL-INIZCTEOSA-N 2 0 312.369 2.506 20 0 DFADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)Cc1ccccc1OC ZINC000349059966 428909020 /nfs/dbraw/zinc/90/90/20/428909020.db2.gz CWSFDMVWNSJGKG-GOSISDBHSA-N 2 0 319.493 2.543 20 0 DFADRP CCO[C@@H]1COC[C@H]1[NH2+]Cc1cccc(C[NH+]2CCCCC2)c1 ZINC000411806564 428861786 /nfs/dbraw/zinc/86/17/86/428861786.db2.gz VNUDIJLMZRBMMC-RTBURBONSA-N 2 0 318.461 2.566 20 0 DFADRP OCC[N@H+](CCC1CC[NH2+]CC1)[C@@H]1CCCc2ccccc21 ZINC000359214950 428869129 /nfs/dbraw/zinc/86/91/29/428869129.db2.gz HWPROZNFQUOYQH-LJQANCHMSA-N 2 0 302.462 2.748 20 0 DFADRP C[C@@H]1C[NH+](CC2CC[NH+](CCCCCF)CC2)C[C@@H](C)O1 ZINC000375393125 428871750 /nfs/dbraw/zinc/87/17/50/428871750.db2.gz XLXCWLAVRJXZRW-HZPDHXFCSA-N 2 0 300.462 2.947 20 0 DFADRP Cc1ccc(CN(CCC[NH+](C)C)CCC[NH+](C)C)cc1F ZINC000348907269 428873360 /nfs/dbraw/zinc/87/33/60/428873360.db2.gz WUDMWBFKDQQYCV-UHFFFAOYSA-N 2 0 309.473 2.840 20 0 DFADRP COc1ccc(CC[C@H](C)[NH2+][C@@H]2CCc3nccn3C2)cc1O ZINC000375430159 428880989 /nfs/dbraw/zinc/88/09/89/428880989.db2.gz WOADYAKQRJRGKS-DZGCQCFKSA-N 2 0 315.417 2.523 20 0 DFADRP C[N@@H+]1CCC[C@H](C[NH2+]CCOCC(F)F)[C@H]1c1ccccc1 ZINC000375450313 428886276 /nfs/dbraw/zinc/88/62/76/428886276.db2.gz XDTSKYZIPPBQDU-NVXWUHKLSA-N 2 0 312.404 2.941 20 0 DFADRP CCCC[N@H+](C)C[C@H](C)NC(=O)NCc1ccc([C@@H](C)[NH3+])cc1 ZINC000418192657 428897465 /nfs/dbraw/zinc/89/74/65/428897465.db2.gz ARQWAAHKXRWJIN-LSDHHAIUSA-N 2 0 320.481 2.626 20 0 DFADRP C[C@H]1OCC[C@@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000354174345 428898685 /nfs/dbraw/zinc/89/86/85/428898685.db2.gz XCNQNKFNMJDUGX-IPFAQRCESA-N 2 0 300.446 2.949 20 0 DFADRP COCCCC[NH2+][C@@H]1CCN(Cc2cnc(C)s2)C[C@H]1C ZINC000375513618 428904025 /nfs/dbraw/zinc/90/40/25/428904025.db2.gz LSELKWQVCKRDQI-CZUORRHYSA-N 2 0 311.495 2.678 20 0 DFADRP Cn1c2ccccc2nc1CC[N@H+](CCC[NH3+])Cc1ccccc1 ZINC000359290175 428905322 /nfs/dbraw/zinc/90/53/22/428905322.db2.gz QYYPQKDVAPFCIM-UHFFFAOYSA-N 2 0 322.456 2.967 20 0 DFADRP C[C@H](C(=O)N1CCC[C@H]1C[NH+]1CCCCC1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000411991915 428905357 /nfs/dbraw/zinc/90/53/57/428905357.db2.gz ZELWTJGOGFMVTF-XDNAFOTISA-N 2 0 321.509 2.725 20 0 DFADRP Cc1ccc(-c2ccc(C[NH2+]CCOCC[NH+](C)C)o2)cc1 ZINC000354191298 428906088 /nfs/dbraw/zinc/90/60/88/428906088.db2.gz MSPWBLCDKCKDRM-UHFFFAOYSA-N 2 0 302.418 2.923 20 0 DFADRP C[C@H]([NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1)c1cnn(Cc2ccccc2)c1 ZINC000423552598 428971267 /nfs/dbraw/zinc/97/12/67/428971267.db2.gz VKIBFUJMLBPLHD-TXJVSEOTSA-N 2 0 324.472 2.970 20 0 DFADRP CC[N@@H+]1CC[C@@H]([NH+](C)CCC(=O)Nc2cccc(F)c2)C[C@@H]1C ZINC000354226433 428926868 /nfs/dbraw/zinc/92/68/68/428926868.db2.gz WDCNXBVJWAEHNP-WMLDXEAASA-N 2 0 321.440 2.959 20 0 DFADRP CC(C)[C@@H]1OCC[C@@H]1C[NH2+][C@@H]1CC[N@H+](C[C@@H]2CCCO2)C[C@@H]1C ZINC000363538178 428936164 /nfs/dbraw/zinc/93/61/64/428936164.db2.gz NZCTULLHXOHXOO-APAFKAMOSA-N 2 0 324.509 2.527 20 0 DFADRP CCC[C@@H]([NH2+]C(C)C)C(=O)N[C@H]1CC[N@H+](CC2CCCC2)C1 ZINC000354251046 428939370 /nfs/dbraw/zinc/93/93/70/428939370.db2.gz BTYHMKOHNSWNEA-DLBZAZTESA-N 2 0 309.498 2.534 20 0 DFADRP COc1cc(C)c(C[N@@H+]2CC[C@H](C3CC[NH+](C)CC3)C2)c(C)n1 ZINC000349196278 428939721 /nfs/dbraw/zinc/93/97/21/428939721.db2.gz UVDRECIPAPDQRM-KRWDZBQOSA-N 2 0 317.477 2.871 20 0 DFADRP Cc1cc(C(F)(F)F)ccc1C[NH2+]CCOCC[NH+](C)C ZINC000349218280 428941036 /nfs/dbraw/zinc/94/10/36/428941036.db2.gz OXLMJDADZPBLSF-UHFFFAOYSA-N 2 0 304.356 2.682 20 0 DFADRP O[C@@H](C[NH2+][C@@H](c1ccccc1)C1CCCC1)C[NH+]1CCCC1 ZINC000359369092 428943085 /nfs/dbraw/zinc/94/30/85/428943085.db2.gz FWOTZWSYDVVOFV-OALUTQOASA-N 2 0 302.462 2.964 20 0 DFADRP CC(C)COCCC[NH2+][C@@H]1CC[N@H+](C[C@H]2CCCO2)C[C@H]1C ZINC000363567346 428944231 /nfs/dbraw/zinc/94/42/31/428944231.db2.gz YSISQPZJADWCQE-KZNAEPCWSA-N 2 0 312.498 2.528 20 0 DFADRP Cc1cc([C@@H]([NH2+]C[C@H](C)N2CC[NH+](C)CC2)C2CC2)ccc1F ZINC000359375167 428945599 /nfs/dbraw/zinc/94/55/99/428945599.db2.gz RYJBGJYYPAVYCN-KXBFYZLASA-N 2 0 319.468 2.811 20 0 DFADRP C[C@H]1[C@@H](NCCC[NH2+]C2CC2)CCC[N@@H+]1Cc1ccccc1 ZINC000423552406 428971992 /nfs/dbraw/zinc/97/19/92/428971992.db2.gz JWONZBNFKLSAGN-LPHOPBHVSA-N 2 0 301.478 2.771 20 0 DFADRP C[C@@H]1CCC[C@H](CC[NH+]2CCN([C@@H]3CCC[N@H+](C)C3)CC2)C1 ZINC000363615488 428956340 /nfs/dbraw/zinc/95/63/40/428956340.db2.gz JLBILFIDQWDEKV-GUDVDZBRSA-N 2 0 307.526 2.915 20 0 DFADRP COCCSCCC[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000375734644 428956533 /nfs/dbraw/zinc/95/65/33/428956533.db2.gz XHOTWNLAHRZKIA-DOTOQJQBSA-N 2 0 312.523 2.705 20 0 DFADRP C[N@H+](Cc1ccccc1)CC(C)(C)CN1CC[NH+]2CCC1CC2 ZINC000349295919 428956687 /nfs/dbraw/zinc/95/66/87/428956687.db2.gz KZEBJJWVNDVCNP-UHFFFAOYSA-N 2 0 315.505 2.925 20 0 DFADRP Cn1nccc1CN1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000375760123 428962472 /nfs/dbraw/zinc/96/24/72/428962472.db2.gz FGSBYPSYAMTLHN-LJQANCHMSA-N 2 0 310.445 2.518 20 0 DFADRP CCc1ccc(NC(=O)CN(C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc1 ZINC000375754209 428963178 /nfs/dbraw/zinc/96/31/78/428963178.db2.gz NKUGXIZMNBXJEU-JWTNVVGKSA-N 2 0 315.461 2.745 20 0 DFADRP Fc1cccc(C[NH+]2CCC(CC[NH+]3CCOCC3)CC2)c1 ZINC000363674318 428964543 /nfs/dbraw/zinc/96/45/43/428964543.db2.gz FGORAHRJFSTKQZ-UHFFFAOYSA-N 2 0 306.425 2.760 20 0 DFADRP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]CCc1cn(C)c2cc(F)ccc12 ZINC000349357085 428969523 /nfs/dbraw/zinc/96/95/23/428969523.db2.gz SMEJVCHHPMRSDO-CXAGYDPISA-N 2 0 303.425 2.790 20 0 DFADRP COC(=O)C[C@@H]1CC[C@H]([NH2+]C[C@@H]2CCC[N@@H+](C(C)C)C2)[C@@H]1C ZINC000354327358 428969708 /nfs/dbraw/zinc/96/97/08/428969708.db2.gz GUTGRZGKNMFCRG-QZWWFDLISA-N 2 0 310.482 2.674 20 0 DFADRP CC(C)[NH+]1CCN([C@@H]2CC[N@@H+]([C@H](C)c3ccccc3)C2)CC1 ZINC000375907434 429015079 /nfs/dbraw/zinc/01/50/79/429015079.db2.gz SCOPGMGQAPYTHL-IEBWSBKVSA-N 2 0 301.478 2.848 20 0 DFADRP Cc1cc(C[NH+](C)C)cc(NC(=O)C[C@H]2CCC[NH2+]CC2)c1 ZINC000423779698 429017727 /nfs/dbraw/zinc/01/77/27/429017727.db2.gz FSFDRIAOSFHWHZ-HNNXBMFYSA-N 2 0 303.450 2.775 20 0 DFADRP CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCCCCC[C@@H]1[NH3+] ZINC000423792303 429021355 /nfs/dbraw/zinc/02/13/55/429021355.db2.gz DFLHPLMFESOYRS-ZACQAIPSSA-N 2 0 309.498 2.521 20 0 DFADRP CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc([C@@H](C)[NH3+])cc1 ZINC000423796000 429023487 /nfs/dbraw/zinc/02/34/87/429023487.db2.gz GRZSFYDZVGWBAM-RHSMWYFYSA-N 2 0 303.450 2.557 20 0 DFADRP CCC(C)(C)[C@@H]1CCCN1C(=O)CCC[NH+]1CCC([NH3+])CC1 ZINC000423806272 429026186 /nfs/dbraw/zinc/02/61/86/429026186.db2.gz FCUHDUWCYHNPFG-INIZCTEOSA-N 2 0 309.498 2.617 20 0 DFADRP CCc1cccc(F)c1C[NH2+]CC1CC[NH+](CCN(C)C)CC1 ZINC000354330386 428973040 /nfs/dbraw/zinc/97/30/40/428973040.db2.gz AEPCBDQSWBFBQG-UHFFFAOYSA-N 2 0 321.484 2.751 20 0 DFADRP Cc1nccn1-c1cccc(NCCCCNc2ccccn2)n1 ZINC000363725647 428978711 /nfs/dbraw/zinc/97/87/11/428978711.db2.gz VNMMDYFURHBPCN-UHFFFAOYSA-N 2 0 322.416 3.275 20 0 DFADRP C[C@@H]1C[N@H+](CCC[NH2+][C@@H]2CS[C@H](C(C)(C)C)C2)CCCO1 ZINC000433024405 428979405 /nfs/dbraw/zinc/97/94/05/428979405.db2.gz WYXCKJKYDFLZEQ-PMPSAXMXSA-N 2 0 314.539 2.997 20 0 DFADRP C[C@@H]1C[N@H+](CCC[NH2+][C@H]2CS[C@@H](C(C)(C)C)C2)CCCO1 ZINC000433024402 428979774 /nfs/dbraw/zinc/97/97/74/428979774.db2.gz WYXCKJKYDFLZEQ-BZUAXINKSA-N 2 0 314.539 2.997 20 0 DFADRP CC(C)[C@@H]1C[C@@H]([NH2+]CCC[N@@H+]2CCCO[C@H](C)C2)CS1 ZINC000433025212 428980174 /nfs/dbraw/zinc/98/01/74/428980174.db2.gz IXJIQIYCNQHHCQ-OAGGEKHMSA-N 2 0 300.512 2.607 20 0 DFADRP CCCN(CCC[NH+](C)C)Cc1cn(-c2cc[nH+]cc2)nc1C ZINC000349419408 428986171 /nfs/dbraw/zinc/98/61/71/428986171.db2.gz PNEDVSGAOPPJQT-UHFFFAOYSA-N 2 0 315.465 2.739 20 0 DFADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]CC1(CO)CC(c2ccccc2)C1 ZINC000433085241 428992490 /nfs/dbraw/zinc/99/24/90/428992490.db2.gz UDMCLXLHUQFCRH-LJZGOAPGSA-N 2 0 316.489 2.861 20 0 DFADRP COCC[C@@H]([NH2+][C@@H]1CCc2nccn2C1)c1ccc(F)cc1 ZINC000375839306 428992990 /nfs/dbraw/zinc/99/29/90/428992990.db2.gz IAOFNYSSUQBNCB-HZPDHXFCSA-N 2 0 303.381 2.704 20 0 DFADRP CC[NH+]1CCC([NH2+]C[C@H]2CCCN(c3ccccc3)C2)CC1 ZINC000433096852 428993392 /nfs/dbraw/zinc/99/33/92/428993392.db2.gz JKSRLOGRJRHACL-QGZVFWFLSA-N 2 0 301.478 2.977 20 0 DFADRP CC(C)[C@@H](C(=O)NC[C@@H](C)C[NH+]1CCCCC1)[NH+]1CCCCC1 ZINC000354571800 428999059 /nfs/dbraw/zinc/99/90/59/428999059.db2.gz GDWUZSWKNJZURP-MSOLQXFVSA-N 2 0 323.525 2.735 20 0 DFADRP CCC[C@H]1[C@@H](C)CCCN1C(=O)CCC[NH+]1CCC([NH3+])CC1 ZINC000433140201 428999493 /nfs/dbraw/zinc/99/94/93/428999493.db2.gz FIYLGVHVBJLDBX-RDJZCZTQSA-N 2 0 309.498 2.617 20 0 DFADRP Cc1cc([C@@H](C)NC(=O)CCC[NH+]2CCC([NH3+])CC2)ccc1F ZINC000433129080 428999526 /nfs/dbraw/zinc/99/95/26/428999526.db2.gz YHVUHUCWYHYTLS-CQSZACIVSA-N 2 0 321.440 2.515 20 0 DFADRP C[C@@H]1CC(C)(C)CC[C@H]1NC(=O)CCC[NH+]1CCC([NH3+])CC1 ZINC000433174606 429004134 /nfs/dbraw/zinc/00/41/34/429004134.db2.gz NLLIXAZESXGHDY-GDBMZVCRSA-N 2 0 309.498 2.521 20 0 DFADRP C[C@@H]1CC[C@H](C)[N@H+]1[C@H]1CCCN(C(=O)C2([NH3+])CCCCC2)C1 ZINC000423726744 429004899 /nfs/dbraw/zinc/00/48/99/429004899.db2.gz KGGFXYQYEVIRMW-XHSDSOJGSA-N 2 0 307.482 2.512 20 0 DFADRP C[NH2+][C@H](CC(C)(C)C)C(=O)N1CCC[C@@H]([N@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC000423721889 429005839 /nfs/dbraw/zinc/00/58/39/429005839.db2.gz CJNBJTRRKNGYTP-YYIAUSFCSA-N 2 0 323.525 2.874 20 0 DFADRP CC(C)CN(C(=O)c1ccc([C@H](C)[NH3+])cc1)C1CC[NH+](C)CC1 ZINC000423737433 429007040 /nfs/dbraw/zinc/00/70/40/429007040.db2.gz APOUDSVGORQEGC-HNNXBMFYSA-N 2 0 317.477 2.899 20 0 DFADRP CCc1ccc([C@H](O)C[NH2+][C@@H]2CC[N@H+](C)[C@@H]3CCC[C@H]32)cc1 ZINC000375897130 429012000 /nfs/dbraw/zinc/01/20/00/429012000.db2.gz DJEKRPFJFNDABN-WJFTUGDTSA-N 2 0 302.462 2.745 20 0 DFADRP CC(C)[NH+]1CCN([C@H]2CC[N@@H+]([C@H](C)c3ccccc3)C2)CC1 ZINC000375907435 429013995 /nfs/dbraw/zinc/01/39/95/429013995.db2.gz SCOPGMGQAPYTHL-MJGOQNOKSA-N 2 0 301.478 2.848 20 0 DFADRP CC[C@H]([NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1)c1ccc(C(=O)OC)cc1 ZINC000423450320 429089494 /nfs/dbraw/zinc/08/94/94/429089494.db2.gz XFJGQSYFYSDALZ-OKZBNKHCSA-N 2 0 316.445 2.902 20 0 DFADRP C[C@@H]1C[C@H]([NH2+]C[C@H]2CCC[C@@H]([NH3+])C2)CN1Cc1ccccc1 ZINC000423471614 429092661 /nfs/dbraw/zinc/09/26/61/429092661.db2.gz MPQJFUWXAUUQQB-LULLPPNCSA-N 2 0 301.478 2.757 20 0 DFADRP CN(Cc1cccnc1)C[C@H]1CC[N@H+](CC[C@H]2CCCCO2)C1 ZINC000434499353 429093143 /nfs/dbraw/zinc/09/31/43/429093143.db2.gz YAGRMQUDUNMJSO-RTBURBONSA-N 2 0 317.477 2.795 20 0 DFADRP COC[C@@H]([NH2+]C[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1)C(C)C ZINC000423474326 429094138 /nfs/dbraw/zinc/09/41/38/429094138.db2.gz ONZQVGJXMWLGLU-CGTJXYLNSA-N 2 0 308.441 2.779 20 0 DFADRP COc1ccc2c(c1)[C@H](NC[C@H]1C[NH2+]CCCO1)CCCS2 ZINC000423489445 429095853 /nfs/dbraw/zinc/09/58/53/429095853.db2.gz FZUQRTLAMWWHOF-GDBMZVCRSA-N 2 0 322.474 2.590 20 0 DFADRP CC1CC[NH+](CCc2cccc(NC(=O)C3(C)C[NH2+]C3)c2)CC1 ZINC000423848945 429038578 /nfs/dbraw/zinc/03/85/78/429038578.db2.gz PTZDQMNMMWLKHN-UHFFFAOYSA-N 2 0 315.461 2.509 20 0 DFADRP CN1CC[C@H]([NH2+]CCC[C@H]2CCC[NH2+]2)C[C@H]1c1ccccc1 ZINC000423485874 429096406 /nfs/dbraw/zinc/09/64/06/429096406.db2.gz RZBWLGRFPVWTLJ-QYZOEREBSA-N 3 0 301.478 2.944 20 0 DFADRP CC[C@H](O)C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H]2CCC[C@H]21 ZINC000421872221 429044482 /nfs/dbraw/zinc/04/44/82/429044482.db2.gz GNTPSLVLIJUBLJ-OKYOBFRVSA-N 2 0 302.462 2.790 20 0 DFADRP CC(C)[NH+]1CCC(NC(=O)C[N@@H+]2CC[C@H](CC(C)(C)C)C2)CC1 ZINC000452081159 429052122 /nfs/dbraw/zinc/05/21/22/429052122.db2.gz PWCXFMDHAOCLJJ-MRXNPFEDSA-N 2 0 323.525 2.734 20 0 DFADRP CC(C)[C@H]([NH3+])CN[C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000423282364 429056570 /nfs/dbraw/zinc/05/65/70/429056570.db2.gz VVZNPTSRBAMQOV-MTQWCTHYSA-N 2 0 315.505 2.860 20 0 DFADRP c1cncc(-c2c[nH+]ccc2NC2CC[NH+](CC3CC3)CC2)c1 ZINC000376100468 429057223 /nfs/dbraw/zinc/05/72/23/429057223.db2.gz AXKCYRSUXSVXOQ-UHFFFAOYSA-N 2 0 308.429 2.852 20 0 DFADRP COC(=O)C[C@@H]1CC[C@H]([NH2+]Cc2ccc([C@H](C)[NH3+])cc2)[C@@H]1C ZINC000423292690 429058261 /nfs/dbraw/zinc/05/82/61/429058261.db2.gz NYZVPUCGCVHULS-OQUILHJVSA-N 2 0 304.434 2.774 20 0 DFADRP CN1CCNC[C@@H]1C[NH2+][C@@H]1CCC[C@@H](c2cccc(Cl)c2)C1 ZINC000423484729 429096926 /nfs/dbraw/zinc/09/69/26/429096926.db2.gz AIUJTWAVXSFULZ-KBAYOESNSA-N 2 0 321.896 2.859 20 0 DFADRP CCOC(=O)[C@H]1CC[C@@H](N[C@H]2CCC[NH2+]C2)c2ccccc21 ZINC000423304718 429059359 /nfs/dbraw/zinc/05/93/59/429059359.db2.gz OYZXYWQWIKGDQH-RRQGHBQHSA-N 2 0 302.418 2.510 20 0 DFADRP c1ccc(C[N@@H+]2C[C@@H]3CCC[C@@H](N[C@H]4CCC[NH2+]C4)[C@@H]3C2)cc1 ZINC000423306181 429060030 /nfs/dbraw/zinc/06/00/30/429060030.db2.gz SHPWNHIPHGWURQ-VNTMZGSJSA-N 3 0 313.489 2.629 20 0 DFADRP CCC[NH2+]CCN[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000423305739 429061357 /nfs/dbraw/zinc/06/13/57/429061357.db2.gz COROJOYCJLWUPZ-REPLKXPHSA-N 2 0 301.478 2.771 20 0 DFADRP CC(C)[NH+]1CCC(N(C)C(=O)c2ccc([C@H](C)[NH3+])cc2)CC1 ZINC000423312246 429063317 /nfs/dbraw/zinc/06/33/17/429063317.db2.gz CZCSQSKUKKPWDB-AWEZNQCLSA-N 2 0 303.450 2.651 20 0 DFADRP CC[C@@H](C(=O)N[C@H](C[NH3+])C1CCCC1)[N@H+](C)Cc1ccccc1 ZINC000423960708 429065578 /nfs/dbraw/zinc/06/55/78/429065578.db2.gz NMDHTLLMNQVWCO-MSOLQXFVSA-N 2 0 317.477 2.531 20 0 DFADRP CC[C@@H]([NH2+]C[C@@]1(C)CCC[NH2+]C1)c1ccc2c(c1)OCCO2 ZINC000423330994 429065637 /nfs/dbraw/zinc/06/56/37/429065637.db2.gz OATCXSJLPMVKNA-QAPCUYQASA-N 2 0 304.434 2.888 20 0 DFADRP CC[NH+](CC)C[C@H](C)NC(=O)CC[C@@H]([NH3+])CC1CCCCC1 ZINC000424134395 429097089 /nfs/dbraw/zinc/09/70/89/429097089.db2.gz NOBJRXDRLKKPLY-DOTOQJQBSA-N 2 0 311.514 2.911 20 0 DFADRP [NH3+][C@@H](C[NH2+][C@H]1CCc2cccc(Br)c2C1)C1CC1 ZINC000423334592 429067047 /nfs/dbraw/zinc/06/70/47/429067047.db2.gz WTKQOIDDWUBVAF-WFASDCNBSA-N 2 0 309.251 2.633 20 0 DFADRP CC[NH+](CC)[C@H](CNC(=O)[C@@H]1C[C@@H](C)CC[NH2+]1)c1ccsc1 ZINC000423332786 429067447 /nfs/dbraw/zinc/06/74/47/429067447.db2.gz RDGZLDIUMTYBOK-CWRNSKLLSA-N 2 0 323.506 2.635 20 0 DFADRP CCO[C@@H]1C[C@H]([NH2+]C[C@]2(C)CCC[NH2+]C2)[C@H]1Oc1ccccc1 ZINC000423337511 429067979 /nfs/dbraw/zinc/06/79/79/429067979.db2.gz KFMHSIIBKMFSNI-WJFTUGDTSA-N 2 0 318.461 2.591 20 0 DFADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC[C@@]1(C)CCC[NH2+]C1 ZINC000423338711 429068255 /nfs/dbraw/zinc/06/82/55/429068255.db2.gz UUVLQRLHCXSKPM-HOJAQTOUSA-N 2 0 315.505 2.876 20 0 DFADRP C[N@H+](Cc1ccccc1)C1CCC([NH2+]C[C@H]([NH3+])C2CC2)CC1 ZINC000423334531 429068534 /nfs/dbraw/zinc/06/85/34/429068534.db2.gz WQHHXCRKHFUAPU-ACBHZAAOSA-N 3 0 301.478 2.757 20 0 DFADRP C[C@H](NC[C@@]1(C)CCC[NH2+]C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000423345617 429068939 /nfs/dbraw/zinc/06/89/39/429068939.db2.gz PGPGUZCNRPCAFH-SXLOBPIMSA-N 2 0 315.505 2.876 20 0 DFADRP [NH3+]CCCC[NH2+][C@H]1CCCOc2ccc(Br)cc21 ZINC000423342788 429069434 /nfs/dbraw/zinc/06/94/34/429069434.db2.gz VRKQBBDPTMNVBA-ZDUSSCGKSA-N 2 0 313.239 2.991 20 0 DFADRP COc1cc([C@H](C)[NH2+]C[C@@H]2CC[NH2+]C2)ccc1OC(F)F ZINC000423349861 429070211 /nfs/dbraw/zinc/07/02/11/429070211.db2.gz WKEMPNZFAVAVGB-WDEREUQCSA-N 2 0 300.349 2.557 20 0 DFADRP CC(C)NC(=O)Nc1ccc([C@@H](C)[NH2+]CC2=CC[NH2+]CC2)cc1 ZINC000423349807 429070475 /nfs/dbraw/zinc/07/04/75/429070475.db2.gz XNUPUZLZKLNDLC-CQSZACIVSA-N 2 0 316.449 2.787 20 0 DFADRP C[C@H](CCCC[NH3+])[NH2+][C@H]1CNCC[C@@H]1c1ccc(F)c(F)c1 ZINC000423361931 429071508 /nfs/dbraw/zinc/07/15/08/429071508.db2.gz HDKUVJUIIJAEHF-MRRJBJDNSA-N 2 0 311.420 2.517 20 0 DFADRP COc1ccc([C@@H](C)[C@@H](C)[NH2+]CC2=CC[NH2+]CC2)cc1OC ZINC000423352341 429071678 /nfs/dbraw/zinc/07/16/78/429071678.db2.gz KGNOUHVNLNOXCW-UONOGXRCSA-N 2 0 304.434 2.705 20 0 DFADRP CCC[NH+](CCC)CCCNC(=O)c1ccc([C@H](C)[NH3+])cc1 ZINC000423360987 429072108 /nfs/dbraw/zinc/07/21/08/429072108.db2.gz WOPZHIKACNMHGR-HNNXBMFYSA-N 2 0 305.466 2.948 20 0 DFADRP CC(C)[C@H]([NH2+][C@@H]1CC[NH2+]C[C@@H]1C)c1ccc2[nH]c(=O)oc2c1 ZINC000423361626 429072709 /nfs/dbraw/zinc/07/27/09/429072709.db2.gz AKCIEMOIJVTGMI-GHJWDPDVSA-N 2 0 303.406 2.818 20 0 DFADRP CCOC(=O)[C@@H]1CC[C@H]([NH2+]CC[C@H]2CCC[NH2+]2)c2ccccc21 ZINC000423353871 429073002 /nfs/dbraw/zinc/07/30/02/429073002.db2.gz FBSIQGHJJCOJPK-OLMNPRSZSA-N 2 0 316.445 2.900 20 0 DFADRP C[C@@H]([NH3+])c1ccc(C(=O)N[C@@H](C)C[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000423365775 429074480 /nfs/dbraw/zinc/07/44/80/429074480.db2.gz PSGASNYWUBHJFV-QLFBSQMISA-N 2 0 303.450 2.557 20 0 DFADRP C[C@@H]1C[C@H](N[C@H]2CCC[N@H+](Cc3ccccc3)[C@H]2C)CC[NH2+]1 ZINC000423368955 429074604 /nfs/dbraw/zinc/07/46/04/429074604.db2.gz BMAJFUGODONSEC-JFRXWTBNSA-N 2 0 301.478 2.770 20 0 DFADRP C[NH+](C)CCc1ccc(NC(=O)[C@H]2[NH2+]CCCC2(C)C)cc1 ZINC000423372879 429075006 /nfs/dbraw/zinc/07/50/06/429075006.db2.gz HILYDLPAKNIMOT-MRXNPFEDSA-N 2 0 303.450 2.507 20 0 DFADRP CC(C)[N@H+](C)Cc1cccc(CNC(=O)[C@@H]2CCC[NH2+][C@H]2C)c1 ZINC000423378795 429075950 /nfs/dbraw/zinc/07/59/50/429075950.db2.gz ZYDHWFWHNWJXDT-MAUKXSAKSA-N 2 0 317.477 2.531 20 0 DFADRP COc1cc(C)c(C[C@H](C)[NH2+][C@H]2CC[NH2+]C[C@H]2C)cc1OC ZINC000423407429 429080897 /nfs/dbraw/zinc/08/08/97/429080897.db2.gz VTSKGGZUOKVCIZ-YCPHGPKFSA-N 2 0 306.450 2.531 20 0 DFADRP C[C@H]([NH2+]C[C@@H]1C[NH2+]C[C@H]1O)c1ccc(-c2ccccc2F)s1 ZINC000423410212 429082758 /nfs/dbraw/zinc/08/27/58/429082758.db2.gz RMFRKZYCXZOFBW-SLEUVZQESA-N 2 0 320.433 2.785 20 0 DFADRP CCO[C@@H]1C[C@H]([NH2+]CC2(COC)CC[NH2+]CC2)C12CCCCC2 ZINC000423413532 429082950 /nfs/dbraw/zinc/08/29/50/429082950.db2.gz ZJSGTEUNJDMPQU-DLBZAZTESA-N 2 0 324.509 2.720 20 0 DFADRP C[C@H]([NH2+]C[C@@H]1C[NH2+]C[C@@H]1O)c1ccc(SC2CCCC2)cc1 ZINC000423412370 429083249 /nfs/dbraw/zinc/08/32/49/429083249.db2.gz WSYKFAQQXHGIAR-YEWWUXTCSA-N 2 0 320.502 2.952 20 0 DFADRP Cc1ccsc1[C@H](Cc1ccccc1)[NH2+]C[C@H]1C[NH2+]C[C@H]1O ZINC000423411727 429083345 /nfs/dbraw/zinc/08/33/45/429083345.db2.gz VDWRDWNMTRYMSC-IXDOHACOSA-N 2 0 316.470 2.510 20 0 DFADRP CC(C)(C)C[C@H]([NH2+]C[C@@H]1C[NH2+]C[C@H]1O)c1ccc(Cl)cc1 ZINC000423409968 429083365 /nfs/dbraw/zinc/08/33/65/429083365.db2.gz RGDMXBLIXKNHTA-CWRNSKLLSA-N 2 0 310.869 2.987 20 0 DFADRP CC(C)(C)C[C@H]([NH2+]C[C@H]1C[NH2+]C[C@H]1O)c1ccc(Cl)cc1 ZINC000423409970 429083458 /nfs/dbraw/zinc/08/34/58/429083458.db2.gz RGDMXBLIXKNHTA-VNQPRFMTSA-N 2 0 310.869 2.987 20 0 DFADRP CC(C)[C@H]([NH2+]C[C@H]1C[NH2+]C[C@H]1O)c1ccc(C(C)(C)C)cc1 ZINC000423426148 429084686 /nfs/dbraw/zinc/08/46/86/429084686.db2.gz MVMZHDKEQPYFML-NXHRZFHOSA-N 2 0 304.478 2.851 20 0 DFADRP [NH3+][C@H](CC1CCCCC1)C(=O)N[C@H]1CC[N@H+](CC2CCCC2)C1 ZINC000423419295 429085719 /nfs/dbraw/zinc/08/57/19/429085719.db2.gz VOYQBPHXOFKBOD-ZWKOTPCHSA-N 2 0 321.509 2.665 20 0 DFADRP C[C@H]([NH3+])c1ccc(C(=O)N(C)CC[C@H]2CCCC[N@@H+]2C)cc1 ZINC000423434308 429086948 /nfs/dbraw/zinc/08/69/48/429086948.db2.gz KLWWTDFNAJRRLN-WMLDXEAASA-N 2 0 303.450 2.653 20 0 DFADRP [NH3+][C@@H](CCC(=O)NCC[C@H]1CCC[NH2+]C1)CC1CCCCC1 ZINC000424081524 429088625 /nfs/dbraw/zinc/08/86/25/429088625.db2.gz VHVIAIVEZIJGOI-SJORKVTESA-N 2 0 309.498 2.570 20 0 DFADRP Cc1ccnc(C)c1NC(=O)N(C)C[C@H]1CCc2nccn2C1 ZINC000376607415 429149364 /nfs/dbraw/zinc/14/93/64/429149364.db2.gz XDJIIHWOMYSCRF-CQSZACIVSA-N 2 0 313.405 2.621 20 0 DFADRP Nc1cccc(CN(Cc2ccccn2)[C@H]2CCC[NH2+]CC2)c1 ZINC000435613874 429152332 /nfs/dbraw/zinc/15/23/32/429152332.db2.gz CUIVWJNPQZUEOL-IBGZPJMESA-N 2 0 310.445 2.808 20 0 DFADRP Clc1ccccc1C[C@@H]([NH2+]C[C@H]1C[NH2+]CCCO1)C1CC1 ZINC000423496728 429098187 /nfs/dbraw/zinc/09/81/87/429098187.db2.gz XKFJDVBSEPISLR-NVXWUHKLSA-N 2 0 308.853 2.629 20 0 DFADRP [NH3+]C[C@@H]1CC[C@H]([NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC000423493860 429099586 /nfs/dbraw/zinc/09/95/86/429099586.db2.gz CGQGNQZLJCDPNL-UJMXGEILSA-N 3 0 313.489 2.899 20 0 DFADRP COc1cc(C)c(C[C@H](C)[NH2+][C@H]2CC[C@@H](C[NH3+])C2)cc1OC ZINC000423493528 429099742 /nfs/dbraw/zinc/09/97/42/429099742.db2.gz BRVKCOYKWKKHGS-LZWOXQAQSA-N 2 0 306.450 2.660 20 0 DFADRP CC[N@@H+]1CCC[C@@H](NC(=O)CC[C@H]([NH3+])CC2CCCCC2)C1 ZINC000424156193 429100160 /nfs/dbraw/zinc/10/01/60/429100160.db2.gz NZJPULVYHDPODL-DLBZAZTESA-N 2 0 309.498 2.665 20 0 DFADRP COc1ccc([C@H](C)[N@@H+]2C[C@@H](C)[C@](C)(C[NH3+])C2)cc1NC(C)=O ZINC000423503859 429101229 /nfs/dbraw/zinc/10/12/29/429101229.db2.gz FIJDARSGXUZTFB-FHSNZYRGSA-N 2 0 319.449 2.631 20 0 DFADRP CCc1cccnc1[C@@H](C)[NH2+]C1CCC(N2CC[NH2+]CC2)CC1 ZINC000423503779 429101358 /nfs/dbraw/zinc/10/13/58/429101358.db2.gz GCLQAGOCMHPVBH-FAEJEUNOSA-N 2 0 316.493 2.511 20 0 DFADRP C[C@@H]([NH2+]C1CCC(N2CC[NH2+]CC2)CC1)c1ccccc1F ZINC000423505815 429101846 /nfs/dbraw/zinc/10/18/46/429101846.db2.gz HYQBOVMDICSXSY-QQFBHYJXSA-N 2 0 305.441 2.693 20 0 DFADRP [NH3+][C@H](CCC(=O)N1CCC2(CC[NH2+]C2)CC1)CC1CCCCC1 ZINC000424164907 429103194 /nfs/dbraw/zinc/10/31/94/429103194.db2.gz FFCRETBNUZPMPH-QGZVFWFLSA-N 2 0 321.509 2.666 20 0 DFADRP CO[C@@H]1[C@H](C)[C@@H]([NH2+]CC2([NH3+])C3CC4CC(C3)CC2C4)C1(C)C ZINC000423517799 429105419 /nfs/dbraw/zinc/10/54/19/429105419.db2.gz BXOASPCLFOVNQK-UVJYYNGJSA-N 2 0 306.494 2.789 20 0 DFADRP CO[C@@H]1[C@@H](C)[C@H]([NH2+]CC2([NH3+])C3CC4CC(C3)CC2C4)C1(C)C ZINC000423517796 429105892 /nfs/dbraw/zinc/10/58/92/429105892.db2.gz BXOASPCLFOVNQK-UUNQGPLZSA-N 2 0 306.494 2.789 20 0 DFADRP CCc1ccccc1[C@H]([NH3+])CN[C@H](Cc1ccccc1)[C@H](C)[NH3+] ZINC000423515952 429106242 /nfs/dbraw/zinc/10/62/42/429106242.db2.gz XRJADEZHRVPQJV-CWFSZBLJSA-N 2 0 311.473 2.797 20 0 DFADRP COc1cc(NC(C)=O)ccc1[C@H](C)[N@@H+]1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000423514504 429106370 /nfs/dbraw/zinc/10/63/70/429106370.db2.gz TTZUDALDTPBLMS-FHSNZYRGSA-N 2 0 319.449 2.631 20 0 DFADRP CC(C)[C@H]([NH2+]C1CCC([NH+]2CCNCC2)CC1)c1cccnc1 ZINC000423525905 429108381 /nfs/dbraw/zinc/10/83/81/429108381.db2.gz YUTLBOGAFGBQHV-ACBHZAAOSA-N 2 0 316.493 2.585 20 0 DFADRP CC1(C)[C@H]([NH2+]CC2([NH3+])C3CC4CC(C3)CC2C4)[C@H]2CCO[C@@H]21 ZINC000423522833 429108648 /nfs/dbraw/zinc/10/86/48/429108648.db2.gz HRUUDFQHFMJDQY-AYLMVFLFSA-N 2 0 304.478 2.543 20 0 DFADRP COc1ccc(OCCC[N@@H+]2CC3(C[C@@H]2C)CC[NH2+]CC3)cc1 ZINC000424284232 429119987 /nfs/dbraw/zinc/11/99/87/429119987.db2.gz DDAYVTDQKUNGRP-INIZCTEOSA-N 2 0 318.461 2.928 20 0 DFADRP C[C@H]1CC2(C[N@@H+]1Cc1ccn(-c3ccccc3)n1)CC[NH2+]CC2 ZINC000424291405 429121776 /nfs/dbraw/zinc/12/17/76/429121776.db2.gz NUNMSSMHKPGMAH-INIZCTEOSA-N 2 0 310.445 2.836 20 0 DFADRP Cc1cccc(C)c1NC(=O)C[N@H+]1CC2(C[C@@H]1C)CC[NH2+]CC2 ZINC000424300571 429122762 /nfs/dbraw/zinc/12/27/62/429122762.db2.gz WUBJYEGXZGHULV-INIZCTEOSA-N 2 0 315.461 2.706 20 0 DFADRP CCC[N@H+](C)C[C@H]1CCN(C[C@H](C[NH3+])c2ccc(F)cc2)C1 ZINC000424303233 429123360 /nfs/dbraw/zinc/12/33/60/429123360.db2.gz NPSAVKFNLLXFKW-WBVHZDCISA-N 2 0 307.457 2.532 20 0 DFADRP C[C@H]1CC2(C[N@@H+]1Cc1cnn(Cc3ccccc3)c1)CC[NH2+]CC2 ZINC000424371277 429132382 /nfs/dbraw/zinc/13/23/82/429132382.db2.gz DIRVPHRZYXCPDO-KRWDZBQOSA-N 2 0 324.472 2.895 20 0 DFADRP COc1cccc(C[N@@H+]2CC3(C[C@H]2C)CC[NH2+]CC3)c1OC ZINC000424378505 429132472 /nfs/dbraw/zinc/13/24/72/429132472.db2.gz NHOKWFRXAMVKJW-CQSZACIVSA-N 2 0 304.434 2.668 20 0 DFADRP CCn1ccnc1C[N@H+](CC1CCC1)[C@@H]1CC12CC[NH2+]CC2 ZINC000435680464 429157214 /nfs/dbraw/zinc/15/72/14/429157214.db2.gz GHQRPMYUWHJLQV-MRXNPFEDSA-N 2 0 302.466 2.647 20 0 DFADRP Cc1ccc(C[NH+]2CCC(n3ncc4c3C[NH2+]C4)CC2)c(C)c1 ZINC000424380530 429132828 /nfs/dbraw/zinc/13/28/28/429132828.db2.gz PVHVFECFCDGJDE-UHFFFAOYSA-N 2 0 310.445 2.940 20 0 DFADRP CN1CC[C@@H](C[N@H+](C)CCOC2CCC2)[C@@H]1c1cccnc1 ZINC000376560292 429136207 /nfs/dbraw/zinc/13/62/07/429136207.db2.gz BJUGJQBGSXMOCO-WMZOPIPTSA-N 2 0 303.450 2.575 20 0 DFADRP COc1cc2[nH+]ccc(NCCCC[NH3+])c2cc1Br ZINC000424415719 429137790 /nfs/dbraw/zinc/13/77/90/429137790.db2.gz TXKJQHVSTSLIQT-UHFFFAOYSA-N 2 0 324.222 2.579 20 0 DFADRP c1csc(C[N@@H+](C[C@@H]2CCCOC2)[C@@H]2CC23CC[NH2+]CC3)n1 ZINC000435425281 429138368 /nfs/dbraw/zinc/13/83/68/429138368.db2.gz CEIYIUOJNGUPBS-LSDHHAIUSA-N 2 0 321.490 2.514 20 0 DFADRP COCCCC[N@H+](Cc1nccs1)[C@H]1CC12CC[NH2+]CC2 ZINC000435689030 429159975 /nfs/dbraw/zinc/15/99/75/429159975.db2.gz VSVNBNZWCJYPRF-AWEZNQCLSA-N 2 0 309.479 2.514 20 0 DFADRP CCC[NH+]1CCC([NH2+]C2CCC(c3nc(C)no3)CC2)CC1 ZINC000494875608 429161086 /nfs/dbraw/zinc/16/10/86/429161086.db2.gz FFGPAMPHTFMGAR-UHFFFAOYSA-N 2 0 306.454 2.868 20 0 DFADRP C[C@@H]1C[C@H](NC[C@H]2CCC[NH+]2C2CCCCC2)C[N@@H+]1C1CC1 ZINC000435749091 429162318 /nfs/dbraw/zinc/16/23/18/429162318.db2.gz RDDLEQULLCYBKM-JTDSTZFVSA-N 2 0 305.510 2.998 20 0 DFADRP O=C1C[C@H]([NH2+]C2CC[NH+](C3CCCCC3)CC2)[C@H]2CCCCN12 ZINC000374516706 275020673 /nfs/dbraw/zinc/02/06/73/275020673.db2.gz ZLLZVOWTUOCFHP-ZWKOTPCHSA-N 2 0 319.493 2.527 20 0 DFADRP OCCC[NH2+][C@@H]1CCCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000279612125 275046138 /nfs/dbraw/zinc/04/61/38/275046138.db2.gz QZGQBOJMUJVGIK-IPMKNSEASA-N 2 0 302.462 2.649 20 0 DFADRP O[C@@H]1CCC[C@H]1[NH+]1CCC([NH2+][C@@H]2CCc3cc(F)ccc32)CC1 ZINC000271499260 275053639 /nfs/dbraw/zinc/05/36/39/275053639.db2.gz LSZCYZQLWQPKGU-GUDVDZBRSA-N 2 0 318.436 2.780 20 0 DFADRP O=C1Nc2ccccc2[C@H]1C1CC[NH+](CCCn2ccnc2)CC1 ZINC000364287123 429175818 /nfs/dbraw/zinc/17/58/18/429175818.db2.gz AJMWWGGTORGSEA-GOSISDBHSA-N 2 0 324.428 2.721 20 0 DFADRP C[C@@H]1C[C@H]([NH2+]Cc2ccccc2C[NH+]2CCC(O)CC2)[C@H]1C ZINC000495095918 429179464 /nfs/dbraw/zinc/17/94/64/429179464.db2.gz YQZSIGFKHHEZJS-VCBZYWHSSA-N 2 0 302.462 2.777 20 0 DFADRP CC(C)[C@@](C)(O)C[N@H+](C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000364352800 429188793 /nfs/dbraw/zinc/18/87/93/429188793.db2.gz LKLNPYSADPGZKV-SFHVURJKSA-N 2 0 305.466 2.637 20 0 DFADRP Cc1cc(N2CCC[N@@H+](Cc3cnn(C(C)C)c3)CC2)cc[nH+]1 ZINC000364363564 429191705 /nfs/dbraw/zinc/19/17/05/429191705.db2.gz MGEIFTSTWHFOTK-UHFFFAOYSA-N 2 0 313.449 2.880 20 0 DFADRP CC[N@@H+]1CCC[C@@H](C[NH2+]Cc2c[nH]nc2-c2ccsc2)C1 ZINC000436278292 429194451 /nfs/dbraw/zinc/19/44/51/429194451.db2.gz CHVPPMOFKAKPJD-ZDUSSCGKSA-N 2 0 304.463 2.960 20 0 DFADRP C[NH+](C)[C@@H]1CCC[C@H]([NH2+]CC(C)(C)NC(=O)OC(C)(C)C)C1 ZINC000495428747 429207710 /nfs/dbraw/zinc/20/77/10/429207710.db2.gz BCFGYWBWJYYQKE-UONOGXRCSA-N 2 0 313.486 2.752 20 0 DFADRP CC[N@@H+]1CC[C@@H]([NH2+]C2CC(O)(Cc3cccc(F)c3)C2)[C@@H](C)C1 ZINC000364482661 429212020 /nfs/dbraw/zinc/21/20/20/429212020.db2.gz JHLDAPCFUJEMBI-YUCBAPQESA-N 2 0 320.452 2.582 20 0 DFADRP CCC[NH+](CCC)CCCC(=O)N1C[C@H]2CCC[N@@H+]2C[C@@H]1CC ZINC000489049292 429216252 /nfs/dbraw/zinc/21/62/52/429216252.db2.gz XYHZOZGETSEDEP-ZWKOTPCHSA-N 2 0 323.525 2.974 20 0 DFADRP CC(C)[N@H+](C)CCNC(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C ZINC000455899074 429223022 /nfs/dbraw/zinc/22/30/22/429223022.db2.gz FLNPIFULZIRNHU-QGZVFWFLSA-N 2 0 318.465 2.697 20 0 DFADRP C[C@@H](C(=O)N1CC[NH+](C2CCCCC2)CC1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000488774014 429198826 /nfs/dbraw/zinc/19/88/26/429198826.db2.gz XIKDQABELYDNOV-BBWFWOEESA-N 2 0 321.509 2.725 20 0 DFADRP COCCOc1ccc([C@H](C)[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000364438453 429203615 /nfs/dbraw/zinc/20/36/15/429203615.db2.gz AUUXEBZXAQJIMY-SZMVWBNQSA-N 2 0 318.461 2.989 20 0 DFADRP CC[C@@H](C(=O)N[C@H](C[NH+](C)C)c1ccc(F)cc1)[NH+](CC)CC ZINC000488888669 429205441 /nfs/dbraw/zinc/20/54/41/429205441.db2.gz IXZCOBKWSQJFQM-SJORKVTESA-N 2 0 323.456 2.665 20 0 DFADRP CC(=O)N1CCC([NH2+]C2CC[NH+]([C@H]3CCC[C@H](C)C3)CC2)CC1 ZINC000359100226 275447866 /nfs/dbraw/zinc/44/78/66/275447866.db2.gz AJNLLFLNQZPNCD-KXBFYZLASA-N 2 0 321.509 2.630 20 0 DFADRP C[C@H]1C[C@@H](C[NH3+])C[N@@H+]1CCOc1ccccc1C(F)(F)F ZINC000442767301 429235606 /nfs/dbraw/zinc/23/56/06/429235606.db2.gz YFVWBYJEJGOKSX-RYUDHWBXSA-N 2 0 302.340 2.753 20 0 DFADRP COc1ccc(-c2n[nH]cc2C[N@@H+]2CCC[C@H](CC[NH3+])C2)cc1 ZINC000442926548 429241441 /nfs/dbraw/zinc/24/14/41/429241441.db2.gz YXXOMRTUPLTNJR-CQSZACIVSA-N 2 0 314.433 2.646 20 0 DFADRP COC1(C[NH2+]C[C@@H]2CC[N@H+](C)[C@@H]2c2cccs2)CCOCC1 ZINC000364762755 429263248 /nfs/dbraw/zinc/26/32/48/429263248.db2.gz BXKWHDUYGNSBJI-HOCLYGCPSA-N 2 0 324.490 2.526 20 0 DFADRP CC(C)[C@H](C(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C)[NH+](C)C ZINC000456275903 429269227 /nfs/dbraw/zinc/26/92/27/429269227.db2.gz NHAQMRAEWULOTP-IAGOWNOFSA-N 2 0 303.450 2.760 20 0 DFADRP C[NH+](C)CCC[N@H+](C)C[C@]1(C)CCN(C(=O)OC(C)(C)C)C1 ZINC000497272717 429322940 /nfs/dbraw/zinc/32/29/40/429322940.db2.gz TUFFGCHMKKFKJZ-KRWDZBQOSA-N 2 0 313.486 2.517 20 0 DFADRP CCC[C@H]([NH2+]CCC[N@@H+]1CCC[C@@H](C(N)=O)C1)C1CCCC1 ZINC000449133955 429340334 /nfs/dbraw/zinc/34/03/34/429340334.db2.gz GBYKWEDKGIUKID-SJORKVTESA-N 2 0 309.498 2.522 20 0 DFADRP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(OCC[NH+]3CCCC3)cc2)[C@H](C)O1 ZINC000449139787 429341356 /nfs/dbraw/zinc/34/13/56/429341356.db2.gz HLDQUWQGKUYIPA-JTDSTZFVSA-N 2 0 318.461 2.817 20 0 DFADRP CCCn1c(C[NH2+]C[C@H]2CCn3ccnc3C2)nc2ccccc21 ZINC000365561853 429342460 /nfs/dbraw/zinc/34/24/60/429342460.db2.gz YEJXUQXPJHUOQV-HNNXBMFYSA-N 2 0 323.444 2.995 20 0 DFADRP CCC[C@H]([NH2+]C(C)C)C(=O)NCC[N@H+]1CC=C(C(C)(C)C)CC1 ZINC000505890101 429343953 /nfs/dbraw/zinc/34/39/53/429343953.db2.gz NKPPOEPIXHNZJA-KRWDZBQOSA-N 2 0 323.525 2.948 20 0 DFADRP OC[C@H]1CCc2ccccc2[C@@H]1[NH2+]CCC[NH+]1CCCCC1 ZINC000365267195 429290939 /nfs/dbraw/zinc/29/09/39/429290939.db2.gz NMWJYEPLEIIHJE-IEBWSBKVSA-N 2 0 302.462 2.748 20 0 DFADRP C[C@H](C[N@@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@H](C)C1)c1ccccc1 ZINC000490632810 429297446 /nfs/dbraw/zinc/29/74/46/429297446.db2.gz UWMKUJYZYMFOGV-QWFCFKBJSA-N 2 0 315.505 2.748 20 0 DFADRP CC(C)C[C@H]([NH3+])C(=O)NC1CC[NH+](CC2CCCCC2)CC1 ZINC000361727756 275597511 /nfs/dbraw/zinc/59/75/11/275597511.db2.gz MBHWCKGCLTTZCL-KRWDZBQOSA-N 2 0 309.498 2.521 20 0 DFADRP C[NH2+][C@@H](CC(C)(C)C)C(=O)NCc1ccc(C[NH+](C)C)c(F)c1 ZINC000449166993 429348308 /nfs/dbraw/zinc/34/83/08/429348308.db2.gz HKBDPOAAJNUSOI-INIZCTEOSA-N 2 0 323.456 2.528 20 0 DFADRP C[C@](O)(C[NH2+]Cc1cc(C2CC[NH2+]CC2)no1)C1CCCCC1 ZINC000425896710 429351257 /nfs/dbraw/zinc/35/12/57/429351257.db2.gz QEKCPBXROPQVJK-SFHVURJKSA-N 2 0 321.465 2.563 20 0 DFADRP c1c(C[NH2+]CCCNc2ccccc2)onc1C1CC[NH2+]CC1 ZINC000425904277 429351869 /nfs/dbraw/zinc/35/18/69/429351869.db2.gz XYOKAKZVWDQTFS-UHFFFAOYSA-N 2 0 314.433 2.733 20 0 DFADRP Cc1cc(C[NH2+]C2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)cs1 ZINC000449188311 429352092 /nfs/dbraw/zinc/35/20/92/429352092.db2.gz KMGQJKZZDUAXMN-IAGOWNOFSA-N 2 0 308.491 2.914 20 0 DFADRP CC[C@@H](O)CC[NH2+]C1CC[NH+]([C@@H](C)Cc2ccccc2)CC1 ZINC000449185379 429353345 /nfs/dbraw/zinc/35/33/45/429353345.db2.gz AYJOKQWQMJLBFB-QFBILLFUSA-N 2 0 304.478 2.833 20 0 DFADRP CCN(CC[NH2+][C@@H]1C[C@H](C)[N@H+](C)C[C@@H]1C)CCC(F)(F)F ZINC000426052899 429363068 /nfs/dbraw/zinc/36/30/68/429363068.db2.gz ULUVABFTQQFMBC-MELADBBJSA-N 2 0 309.420 2.579 20 0 DFADRP C[C@H](Cc1ccoc1)[NH2+]Cc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC000449235067 429363689 /nfs/dbraw/zinc/36/36/89/429363689.db2.gz SOMCFDMGEVCUMN-BEFAXECRSA-N 2 0 314.429 2.567 20 0 DFADRP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+][C@H]2C[C@@H](O)C2(C)C)CC1 ZINC000449256015 429367334 /nfs/dbraw/zinc/36/73/34/429367334.db2.gz BMQRKJBKAJAYLN-AYOQOUSVSA-N 2 0 316.489 2.831 20 0 DFADRP C/C=C\C[C@H](CO)[NH2+]C1CC[NH+]([C@H](C)Cc2ccccc2)CC1 ZINC000449252736 429368151 /nfs/dbraw/zinc/36/81/51/429368151.db2.gz WEFDHURWKIRQGG-PTUVJSPFSA-N 2 0 316.489 2.999 20 0 DFADRP CC(C)[C@@H](C(=O)N[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1)[NH+](C)C ZINC000426218310 429374623 /nfs/dbraw/zinc/37/46/23/429374623.db2.gz WRSPUWDKGQDEFJ-NJAFHUGGSA-N 2 0 317.477 2.524 20 0 DFADRP Cc1cc(C[NH+]2CCC(C[NH+]3CCN(C)CC3)CC2)cs1 ZINC000449323896 429387390 /nfs/dbraw/zinc/38/73/90/429387390.db2.gz BMRZQLJSUYETQC-UHFFFAOYSA-N 2 0 307.507 2.516 20 0 DFADRP CC(C)[C@H](CO)C[NH2+]C1CC[NH+]([C@H](C)Cc2ccccc2)CC1 ZINC000449322497 429388528 /nfs/dbraw/zinc/38/85/28/429388528.db2.gz XNSJUUNEYGZUBQ-MJGOQNOKSA-N 2 0 318.505 2.936 20 0 DFADRP C[C@@H]([NH2+]CC1CC[NH+](CCc2ccccc2)CC1)[C@H]1CCOC1 ZINC000366238271 429439083 /nfs/dbraw/zinc/43/90/83/429439083.db2.gz OCLNFRCDTVCODC-XLIONFOSSA-N 2 0 316.489 2.956 20 0 DFADRP COc1cc2c(cc1C[NH2+]CC[C@@H]1CCC[N@H+](C)C1)O[C@H](C)C2 ZINC000518924318 429440086 /nfs/dbraw/zinc/44/00/86/429440086.db2.gz CIYNBORRGXRONJ-CABCVRRESA-N 2 0 318.461 2.840 20 0 DFADRP COc1cc2c(cc1C[NH2+]C(C)(C)CCC[NH+](C)C)OCO2 ZINC000449529201 429445974 /nfs/dbraw/zinc/44/59/74/429445974.db2.gz VNGXOTUFWVMDGN-UHFFFAOYSA-N 2 0 308.422 2.634 20 0 DFADRP C[C@@H](Cc1cnn(C)c1)[NH2+]C1CC[NH+]([C@@H]2CCC[C@@H](C)C2)CC1 ZINC000449584100 429455459 /nfs/dbraw/zinc/45/54/59/429455459.db2.gz JJPLZAJIMHPWTD-JTDSTZFVSA-N 2 0 318.509 2.984 20 0 DFADRP Fc1ccc([C@H](C[C@H]2CCOC2)[NH2+]CC2CC[NH2+]CC2)cc1 ZINC000519537638 429463622 /nfs/dbraw/zinc/46/36/22/429463622.db2.gz HNAWXUDNLLZLSP-QAPCUYQASA-N 2 0 306.425 2.883 20 0 DFADRP Cc1noc(C2CCC([NH2+]CCN3CCC[C@@H](C)C3)CC2)n1 ZINC000366530865 429471347 /nfs/dbraw/zinc/47/13/47/429471347.db2.gz RGVDNSDJAIYFSI-IUDNXUCKSA-N 2 0 306.454 2.726 20 0 DFADRP CC[N@@H+]1CC[C@H](N(C)C(=O)C2(C[NH+](C)C)CCCCC2)[C@@H](C)C1 ZINC000426786993 429415069 /nfs/dbraw/zinc/41/50/69/429415069.db2.gz ZWSCMBDMXAZXEM-IRXDYDNUSA-N 2 0 323.525 2.687 20 0 DFADRP CC1(C[NH+]2CCOCC2)CC[NH+](CCCC2CCOCC2)CC1 ZINC000366078258 429415211 /nfs/dbraw/zinc/41/52/11/429415211.db2.gz OCAKPJSLWNHXCU-UHFFFAOYSA-N 2 0 324.509 2.628 20 0 DFADRP CC[NH+]1CCN(c2ccccc2C[N@@H+]2CC[C@@H](SC)C2)CC1 ZINC000449444849 429420644 /nfs/dbraw/zinc/42/06/44/429420644.db2.gz DWFAKDZIXQVSMI-QGZVFWFLSA-N 2 0 319.518 2.766 20 0 DFADRP COc1cc2c(c(CN3CC[C@@]4(CC[N@H+](C)C4)C3)c1)O[C@H](C)C2 ZINC000366535502 429470254 /nfs/dbraw/zinc/47/02/54/429470254.db2.gz ONNINJZBIDIDOD-AUUYWEPGSA-N 2 0 316.445 2.546 20 0 DFADRP CN(CC[N@H+](C)C1CCN(C)CC1)C(=O)/C=C\C1CCCCC1 ZINC000491893693 429429166 /nfs/dbraw/zinc/42/91/66/429429166.db2.gz JEKYRVUHEPLXBS-KTKRTIGZSA-N 2 0 321.509 2.607 20 0 DFADRP CC(=O)N1CCCN(C[C@@H]2CCC[N@@H+](CCCC(C)C)C2)CC1 ZINC000449496167 429435010 /nfs/dbraw/zinc/43/50/10/429435010.db2.gz IUPPTDUBGLAQQX-LJQANCHMSA-N 2 0 323.525 2.689 20 0 DFADRP COCCC[C@@H](C)[NH2+]C[C@@H]1CCCN(Cc2cccnc2)C1 ZINC000366219720 429436114 /nfs/dbraw/zinc/43/61/14/429436114.db2.gz STUJJPOGHXTRHB-AEFFLSMTSA-N 2 0 305.466 2.698 20 0 DFADRP COc1ccc(C(C)(C)C[NH2+][C@@H](C)[C@H]2CCC[NH2+]C2)cc1OC ZINC000520761890 429527540 /nfs/dbraw/zinc/52/75/40/429527540.db2.gz ONOLFFXNRWEULB-GJZGRUSLSA-N 2 0 320.477 2.959 20 0 DFADRP CC[N@@H+]1CC[C@H]([NH+](C)C[C@H](C)NC(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000492130968 429472404 /nfs/dbraw/zinc/47/24/04/429472404.db2.gz IAMWKDDWTTXEPC-KKUMJFAQSA-N 2 0 313.486 2.562 20 0 DFADRP C[C@@H](C(=O)Nc1ccccc1C[NH+](C)C)[NH+]1CCCCCC1 ZINC000519676257 429477980 /nfs/dbraw/zinc/47/79/80/429477980.db2.gz HVJFVOPAWCYNCR-HNNXBMFYSA-N 2 0 303.450 2.951 20 0 DFADRP CC(C)[C@@H](O)C[NH2+][C@H]1CCN(Cc2ccccc2)CC1(C)C ZINC000366604145 429486337 /nfs/dbraw/zinc/48/63/37/429486337.db2.gz RXEARFGBGSPKRM-ROUUACIJSA-N 2 0 304.478 2.894 20 0 DFADRP CC[NH+]1CCN(CC(C)(C)[NH2+]C[C@H]2CC(C)=C[C@@H](C)C2)CC1 ZINC000449747701 429495036 /nfs/dbraw/zinc/49/50/36/429495036.db2.gz XZCGQENIRLWNAQ-SJLPKXTDSA-N 2 0 307.526 2.985 20 0 DFADRP CC(C)(C)CC(C)(C)[NH+]1CCC([NH2+][C@@H]2CC[C@H](C(N)=O)C2)CC1 ZINC000449753347 429497237 /nfs/dbraw/zinc/49/72/37/429497237.db2.gz IQDDTSCIGYSTFW-GOEBONIOSA-N 2 0 323.525 2.909 20 0 DFADRP CCC[N@H+](CC)Cc1ccc(C(=O)N[C@H]2CC[NH2+]C2(C)C)cc1 ZINC000449754546 429499130 /nfs/dbraw/zinc/49/91/30/429499130.db2.gz RAHUNTLWPQLIRK-KRWDZBQOSA-N 2 0 317.477 2.789 20 0 DFADRP Cc1nn(-c2cc[nH+]cc2)cc1CNC(C)(C)C[NH+]1CCCC1 ZINC000449774585 429505699 /nfs/dbraw/zinc/50/56/99/429505699.db2.gz OXCHUNGFQRXHGT-UHFFFAOYSA-N 2 0 313.449 2.540 20 0 DFADRP CCc1nc(C)c(C[NH+]2CCC(OCC[NH+]3CCCC3)CC2)o1 ZINC000428253663 429505804 /nfs/dbraw/zinc/50/58/04/429505804.db2.gz DBFKSOXOKBOHKO-UHFFFAOYSA-N 2 0 321.465 2.622 20 0 DFADRP CC1=C[C@@H](C)C[C@@H](C[NH+]2CCN(c3ccnc(C)n3)CC2)C1 ZINC000428283503 429507845 /nfs/dbraw/zinc/50/78/45/429507845.db2.gz ILCXQULSECJLGQ-RHSMWYFYSA-N 2 0 300.450 2.899 20 0 DFADRP C[C@H]1C[N@H+](CCC[NH2+]C[C@@H]2CCOc3ccccc32)CCCO1 ZINC000366777109 429512427 /nfs/dbraw/zinc/51/24/27/429512427.db2.gz ODBDXLPKGMKUFM-IRXDYDNUSA-N 2 0 318.461 2.643 20 0 DFADRP C[C@@H]1C[N@H+](CCC[NH2+]C[C@@H]2CCOc3ccccc32)CCCO1 ZINC000366777110 429513225 /nfs/dbraw/zinc/51/32/25/429513225.db2.gz ODBDXLPKGMKUFM-SJORKVTESA-N 2 0 318.461 2.643 20 0 DFADRP CN(CC1CC[NH+](C)CC1)C(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC000449842893 429522673 /nfs/dbraw/zinc/52/26/73/429522673.db2.gz FRBGSZUEFQVOJC-SFHVURJKSA-N 2 0 321.509 2.584 20 0 DFADRP Cc1cc(C[NH+](C)C)cc(NC(=O)[C@H]2C[C@@H]3CCCC[N@@H+]3C2)c1 ZINC000366977102 429550480 /nfs/dbraw/zinc/55/04/80/429550480.db2.gz LJZXIVGZBNXVGD-WMZOPIPTSA-N 2 0 315.461 2.870 20 0 DFADRP CC(C)[C@H]([NH3+])C(=O)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000521430598 429551816 /nfs/dbraw/zinc/55/18/16/429551816.db2.gz UFAKIOUAQMPYSQ-HOTGVXAUSA-N 2 0 323.868 2.576 20 0 DFADRP Cc1ccc(NC(=O)CC[NH2+]CC[C@H](C)[NH+]2CCCCC2)nc1 ZINC000521614227 429559003 /nfs/dbraw/zinc/55/90/03/429559003.db2.gz CUIPJYMFUXXHFL-INIZCTEOSA-N 2 0 318.465 2.573 20 0 DFADRP COCC1(C[NH2+][C@H]2CCN(Cc3ccccn3)C[C@H]2C)CCC1 ZINC000367092497 429575683 /nfs/dbraw/zinc/57/56/83/429575683.db2.gz OSPUCAGVMVZOHT-AEFFLSMTSA-N 2 0 317.477 2.698 20 0 DFADRP C[NH+]1CCN(C[C@@H]2CCC[N@H+](CCCC3CCCC3)C2)CC1 ZINC000367118209 429580610 /nfs/dbraw/zinc/58/06/10/429580610.db2.gz YTFJPZCTNAWRPS-LJQANCHMSA-N 2 0 307.526 2.916 20 0 DFADRP C[C@H]1CCCC[N@@H+]1CCC1CC[NH+](CCc2ccnn2C)CC1 ZINC000367119759 429581784 /nfs/dbraw/zinc/58/17/84/429581784.db2.gz CADSJZJWRDNKAR-KRWDZBQOSA-N 2 0 318.509 2.939 20 0 DFADRP CC[N@H+](C)[C@H](C(=O)NCC[C@H]1CCC[NH+](C)C1)c1ccccc1 ZINC000458160441 429588364 /nfs/dbraw/zinc/58/83/64/429588364.db2.gz GBELNRQOJJRCSN-AEFFLSMTSA-N 2 0 317.477 2.528 20 0 DFADRP C[C@H]([NH2+]C1CC1)C(=O)N1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000521252594 429544939 /nfs/dbraw/zinc/54/49/39/429544939.db2.gz KSKOELNWBDMTDK-HOTGVXAUSA-N 2 0 321.509 2.630 20 0 DFADRP CC(C)Cn1cc(C[N@@H+]2CCCC3(CC[NH+](C)CC3)C2)cn1 ZINC000366953642 429547079 /nfs/dbraw/zinc/54/70/79/429547079.db2.gz OKIAAHKLPTZGOX-UHFFFAOYSA-N 2 0 304.482 2.847 20 0 DFADRP COc1cccc2c1ccnc2N1CC[C@@H](c2nccn2C)C1 ZINC000450399863 429619017 /nfs/dbraw/zinc/61/90/17/429619017.db2.gz DYYITBVZERLFIM-CYBMUJFWSA-N 2 0 308.385 2.971 20 0 DFADRP CCC(CC)NC(=O)[C@@H](C)[NH+]1CCC(C[N@H+](C)C(C)C)CC1 ZINC000524156170 429620506 /nfs/dbraw/zinc/62/05/06/429620506.db2.gz PFJCYRVCXXLDRZ-OAHLLOKOSA-N 2 0 311.514 2.732 20 0 DFADRP COC(=O)[C@@H]1C[N@H+](CCCc2cnccc2C)CC12CCC2 ZINC000367370971 429631875 /nfs/dbraw/zinc/63/18/75/429631875.db2.gz NMYWEXXLGVJBSY-INIZCTEOSA-N 2 0 302.418 2.598 20 0 DFADRP CCC[N@H+](C)C[C@@H]1CC[NH+](C[C@H](O)[C@@H](C)c2ccccc2)C1 ZINC000450463781 429633253 /nfs/dbraw/zinc/63/32/53/429633253.db2.gz SAZDGQOLVGESAR-LNLFQRSKSA-N 2 0 304.478 2.815 20 0 DFADRP CCC[N@H+](C)C[C@@H]1CC[NH+](C[C@H](O)[C@H](C)c2ccccc2)C1 ZINC000450463779 429633930 /nfs/dbraw/zinc/63/39/30/429633930.db2.gz SAZDGQOLVGESAR-AOIWGVFYSA-N 2 0 304.478 2.815 20 0 DFADRP FC1(F)CC[C@@H](C[NH+]2CCC(CC[NH+]3CCOCC3)CC2)C1 ZINC000450316492 429597484 /nfs/dbraw/zinc/59/74/84/429597484.db2.gz HGBOGJNELNNKRM-MRXNPFEDSA-N 2 0 316.436 2.856 20 0 DFADRP COC1(C[C@H](C)[NH2+]CCCC[NH+]2C[C@H](C)O[C@@H](C)C2)CCC1 ZINC000429402010 429607416 /nfs/dbraw/zinc/60/74/16/429607416.db2.gz HWGROQISZXWJJE-ULQDDVLXSA-N 2 0 312.498 2.813 20 0 DFADRP COC(=O)C(C)(C)CC[N@@H+]1CCC[C@@H](C[NH+]2CCCCC2)C1 ZINC000367257324 429607610 /nfs/dbraw/zinc/60/76/10/429607610.db2.gz HDRNUNRWHXFXLO-INIZCTEOSA-N 2 0 310.482 2.774 20 0 DFADRP COC(=O)C(C)(C)CC[N@@H+]1CCC[C@H](C[NH+]2CCCCC2)C1 ZINC000367257325 429607915 /nfs/dbraw/zinc/60/79/15/429607915.db2.gz HDRNUNRWHXFXLO-MRXNPFEDSA-N 2 0 310.482 2.774 20 0 DFADRP CC[N@@H+]1CC[C@@H](N(C)Cc2ccn(CC(F)(F)F)n2)[C@H](C)C1 ZINC000450574098 429652237 /nfs/dbraw/zinc/65/22/37/429652237.db2.gz ZDEDGFLMXDWESP-TZMCWYRMSA-N 2 0 318.387 2.608 20 0 DFADRP CCCc1ccc2[nH+]ccc(N3C[C@H]4OCC[N@H+](C)[C@H]4C3)c2c1 ZINC000450387524 429614244 /nfs/dbraw/zinc/61/42/44/429614244.db2.gz JJEKZFPCSPXCTN-RBUKOAKNSA-N 2 0 311.429 2.707 20 0 DFADRP C[N@@H+]1CCC[C@H](C[NH2+]CC[C@@H]2CCOC2=O)[C@H]1c1ccccc1 ZINC000367490285 429659255 /nfs/dbraw/zinc/65/92/55/429659255.db2.gz RVQJZVOMAKQXOG-KZNAEPCWSA-N 2 0 316.445 2.612 20 0 DFADRP CCC[C@@H]([NH2+]CCCC[N@@H+]1CCC[C@@H]1CO)c1cccnc1 ZINC000185414229 276025253 /nfs/dbraw/zinc/02/52/53/276025253.db2.gz DTVWTWFRRAAVNC-QZTJIDSGSA-N 2 0 305.466 2.749 20 0 DFADRP CCC[C@H]([NH2+]C1CC[NH+]([C@H]2CCC[C@H]2O)CC1)c1cccnc1 ZINC000273491743 276044369 /nfs/dbraw/zinc/04/43/69/276044369.db2.gz OITHWTCPQVIZKB-GBESFXJTSA-N 2 0 317.477 2.890 20 0 DFADRP CCOC1CC(C[NH+]2CCC(C[NH+]3C[C@H](C)O[C@@H](C)C3)CC2)C1 ZINC000367553181 429669349 /nfs/dbraw/zinc/66/93/49/429669349.db2.gz LSPAILLDPWVDTI-XYCLOBBJSA-N 2 0 324.509 2.623 20 0 DFADRP CC[N@H+](CCN[C@H]1CC[NH+](Cc2ccccc2)C[C@H]1C)C1CC1 ZINC000268895307 276132393 /nfs/dbraw/zinc/13/23/93/276132393.db2.gz ZUVPCYTYIWSCPY-XLIONFOSSA-N 2 0 315.505 2.971 20 0 DFADRP Cc1cnn(C)c1C[NH2+]C1CCN(Cc2ccsc2)CC1 ZINC000367583864 429677630 /nfs/dbraw/zinc/67/76/30/429677630.db2.gz GFGXHJNGGBZTBN-UHFFFAOYSA-N 2 0 304.463 2.544 20 0 DFADRP CC[NH+]1CCN([C@@H](C)C[NH2+][C@H]2CC(C)(C)Cc3occc32)CC1 ZINC000155622052 276197066 /nfs/dbraw/zinc/19/70/66/276197066.db2.gz BEFSAJUZVKOAHP-RDJZCZTQSA-N 2 0 319.493 2.909 20 0 DFADRP CC[N@@H+]1CC[C@H]([NH2+]CCc2ccc(NC(C)=O)cc2)[C@@H](C)C1 ZINC000247101079 276228702 /nfs/dbraw/zinc/22/87/02/276228702.db2.gz SGTNZJZIYKLNJC-KSSFIOAISA-N 2 0 303.450 2.507 20 0 DFADRP CC[N@@H+]1CC[C@H]([NH2+]CCc2cc(F)cc3c2OCOC3)[C@@H](C)C1 ZINC000247047366 276228996 /nfs/dbraw/zinc/22/89/96/276228996.db2.gz OOBVYWZZHLLPNP-GUYCJALGSA-N 2 0 322.424 2.555 20 0 DFADRP C[C@@H]1CCC[C@@H](C[N@@H+]2CCC[C@H](CN3CC[NH+](C)CC3)C2)C1 ZINC000367624901 429687366 /nfs/dbraw/zinc/68/73/66/429687366.db2.gz YNACGEAKGRYPEG-GUDVDZBRSA-N 2 0 307.526 2.772 20 0 DFADRP CCOC(=O)[C@@H]1CC[C@@H]([NH2+]CC2(C)CC[NH+](C)CC2)C[C@@H]1C ZINC000359396017 276287357 /nfs/dbraw/zinc/28/73/57/276287357.db2.gz NGNLSMTZMICKDN-ARFHVFGLSA-N 2 0 310.482 2.676 20 0 DFADRP CC[N@H+](C)C[C@H]1CCN([C@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC000271257394 276308191 /nfs/dbraw/zinc/30/81/91/276308191.db2.gz HNKQEPZMTJAWNK-MOPGFXCFSA-N 2 0 301.478 2.535 20 0 DFADRP C[N@H+](CCCCC(F)(F)F)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000367684432 429699329 /nfs/dbraw/zinc/69/93/29/429699329.db2.gz NYBZZQAPWIMUFV-OAHLLOKOSA-N 2 0 321.431 2.819 20 0 DFADRP CC(C)[C@@](C)(C[NH3+])[NH2+]CCc1nc(-c2cccc(Cl)c2)no1 ZINC000430567718 429694615 /nfs/dbraw/zinc/69/46/15/429694615.db2.gz JKYGVLNNFINONW-MRXNPFEDSA-N 2 0 322.840 2.896 20 0 DFADRP CC[N@@H+]1CCCC[C@@H]1C(=O)NCCCC[NH+]1CCCC[C@H]1C ZINC000245920733 276361680 /nfs/dbraw/zinc/36/16/80/276361680.db2.gz TXJSLPRYNXDJIK-IAGOWNOFSA-N 2 0 309.498 2.632 20 0 DFADRP CC(C)C[C@H](NC(=O)C[NH+]1CCC(C[NH3+])CC1)c1ccccc1 ZINC000430616078 429700736 /nfs/dbraw/zinc/70/07/36/429700736.db2.gz FKYURNYBPZZMMS-SFHVURJKSA-N 2 0 317.477 2.561 20 0 DFADRP CCC[C@@H](NC(=O)[C@H](C)[NH+]1CCC(C[NH3+])CC1)c1ccccc1 ZINC000430611986 429701274 /nfs/dbraw/zinc/70/12/74/429701274.db2.gz QJAFBYQOINWBPP-MAUKXSAKSA-N 2 0 317.477 2.703 20 0 DFADRP C[N@H+](Cc1ccccc1)C1CCC([NH2+][C@H]2CC[C@@H](O)C2)CC1 ZINC000367691975 429701991 /nfs/dbraw/zinc/70/19/91/429701991.db2.gz WWBDOTCPBITMJU-VLOYRQLPSA-N 2 0 302.462 2.933 20 0 DFADRP [NH3+]C[C@@H]1CCC[N@H+](Cc2ccc(OCc3ccccn3)cc2)C1 ZINC000430658982 429708015 /nfs/dbraw/zinc/70/80/15/429708015.db2.gz YJIOVIHCUWQVJN-KRWDZBQOSA-N 2 0 311.429 2.831 20 0 DFADRP O=C(C=Cc1c[nH]cn1)NCc1ccccc1C[NH+]1CCCCC1 ZINC000493197163 429710244 /nfs/dbraw/zinc/71/02/44/429710244.db2.gz LEONAHRDZQFWIV-CMDGGOBGSA-N 2 0 324.428 2.725 20 0 DFADRP C[C@H](C(=O)NCC[N@H+]1[C@H](C)CCC[C@@H]1C)[C@H]([NH3+])c1ccccc1 ZINC000430894316 429721745 /nfs/dbraw/zinc/72/17/45/429721745.db2.gz MKVWXEHDEHSVGE-DFGXFYAUSA-N 2 0 317.477 2.702 20 0 DFADRP Cc1ccccc1[C@H](C)NC(=O)[C@@H](C)[NH+]1CCC([C@H](C)[NH3+])CC1 ZINC000430917426 429723084 /nfs/dbraw/zinc/72/30/84/429723084.db2.gz DDZUBNSSLLRQEM-HRCADAONSA-N 2 0 317.477 2.620 20 0 DFADRP Cc1ccc(NC(=O)[C@@H](C)[NH+]2CCC([C@H](C)[NH3+])CC2)cc1F ZINC000430938093 429726891 /nfs/dbraw/zinc/72/68/91/429726891.db2.gz ADDUEDZUNMOIKE-QWHCGFSZSA-N 2 0 307.413 2.520 20 0 DFADRP C[C@@H]1C[N@H+](CCC(=O)Nc2cccc3ccccc32)CC[C@@H]1[NH3+] ZINC000430964946 429731391 /nfs/dbraw/zinc/73/13/91/429731391.db2.gz JUTKUYVGHXVAJG-PBHICJAKSA-N 2 0 311.429 2.838 20 0 DFADRP Cc1nn(C(C)(C)C)c(C)c1C[NH+]1CCC2(CC[NH2+]C2)CC1 ZINC000430965841 429732398 /nfs/dbraw/zinc/73/23/98/429732398.db2.gz MTPOMUAJMVDDQY-UHFFFAOYSA-N 2 0 304.482 2.830 20 0 DFADRP C[N@H+](C[C@H]1Cc2ccccc21)C1CC[NH+](C2CCOCC2)CC1 ZINC000367869723 429732768 /nfs/dbraw/zinc/73/27/68/429732768.db2.gz YBJFUDUFPZLIEL-QGZVFWFLSA-N 2 0 314.473 2.902 20 0 DFADRP C[N@@H+]1CC[C@@H]2OCCN(CC34CC5CC(CC(C5)C3)C4)[C@@H]2C1 ZINC000450956663 429737639 /nfs/dbraw/zinc/73/76/39/429737639.db2.gz SDKDNOOTOUUYLQ-WTFUZHRASA-N 2 0 304.478 2.608 20 0 DFADRP CC(C)C[N@H+](CCc1ccccc1)Cc1nc(C(C)(C)[NH3+])no1 ZINC000431070679 429740166 /nfs/dbraw/zinc/74/01/66/429740166.db2.gz MBNJXUMSKPWXGC-UHFFFAOYSA-N 2 0 316.449 2.964 20 0 DFADRP COCCOc1ccc(C[N@@H+]2CCC[C@@H]3C[NH+](C)CC[C@@H]32)cc1 ZINC000368135806 429796280 /nfs/dbraw/zinc/79/62/80/429796280.db2.gz RPTFQEDEMWZKTH-MJGOQNOKSA-N 2 0 318.461 2.628 20 0 DFADRP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+][C@@H]1C[C@]1(C)OC(C)C ZINC000527800044 429800680 /nfs/dbraw/zinc/80/06/80/429800680.db2.gz BZVBEUPJASLGEX-SJORKVTESA-N 2 0 300.406 2.621 20 0 DFADRP Cc1cnn(C)c1CN1C[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000367955262 429751587 /nfs/dbraw/zinc/75/15/87/429751587.db2.gz BBIWMINIIHEBMT-MOPGFXCFSA-N 2 0 324.472 2.682 20 0 DFADRP Cc1n[nH]cc1CN1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000367958557 429752759 /nfs/dbraw/zinc/75/27/59/429752759.db2.gz DPNPLVBLPOKZSY-PKOBYXMFSA-N 2 0 310.445 2.672 20 0 DFADRP COC(=O)C1(C[NH2+]C2CC[NH+]([C@@H]3CCCC[C@@H]3C)CC2)CC1 ZINC000486924235 429753503 /nfs/dbraw/zinc/75/35/03/429753503.db2.gz JBTFTKDKEJJNNB-GOEBONIOSA-N 2 0 308.466 2.572 20 0 DFADRP C[C@H]1C[C@@H]1[N@@H+]1CCN(CC[NH+](C)Cc2ccccc2)C[C@@H](C)C1 ZINC000451057265 429758206 /nfs/dbraw/zinc/75/82/06/429758206.db2.gz CQVBNHWJIBYGDM-HBFSDRIKSA-N 2 0 315.505 2.781 20 0 DFADRP CC[NH+](CC)CCCC1CCN(C(=O)[C@@H]2C[N@H+](C)C[C@H]2C)CC1 ZINC000487067489 429762935 /nfs/dbraw/zinc/76/29/35/429762935.db2.gz PFOYPCQKTUKDQI-SJLPKXTDSA-N 2 0 323.525 2.545 20 0 DFADRP CC[NH+]1CCN(C[C@H](C)C[NH2+]Cc2ccc3cc[nH]c3c2)CC1 ZINC000527652761 429773400 /nfs/dbraw/zinc/77/34/00/429773400.db2.gz LETBJGQUYHJRFH-MRXNPFEDSA-N 2 0 314.477 2.531 20 0 DFADRP Cc1cc(C[N@@H+](C)[C@H]2CCN(C3CC[NH+](C)CC3)C2)ccc1F ZINC000368051187 429775004 /nfs/dbraw/zinc/77/50/04/429775004.db2.gz KRDVQTMDHZOJLH-SFHVURJKSA-N 2 0 319.468 2.734 20 0 DFADRP C[NH+](C)CCOCC[NH2+]Cc1cnc(-c2ccccc2F)s1 ZINC000451156232 429778117 /nfs/dbraw/zinc/77/81/17/429778117.db2.gz QYTSPQBDDKLLOP-UHFFFAOYSA-N 2 0 323.437 2.617 20 0 DFADRP C[C@H]([NH2+]Cc1ccnc(OCC[NH+](C)C)c1)[C@@H]1C[C@H]1C1CC1 ZINC000527687893 429779550 /nfs/dbraw/zinc/77/95/50/429779550.db2.gz NVVDHWKHKMFUAO-JQFCIGGWSA-N 2 0 303.450 2.546 20 0 DFADRP C[C@@H]1CCCC[N@@H+]1CCNC(=O)C[C@@H](c1ccccc1)[NH+](C)C ZINC000431745475 429780648 /nfs/dbraw/zinc/78/06/48/429780648.db2.gz QSQZPGYXOAJYJS-AEFFLSMTSA-N 2 0 317.477 2.670 20 0 DFADRP CCCCN(CCO)Cc1nc2c(s1)C[N@@H+](C(C)C)CC2 ZINC000368247659 429816038 /nfs/dbraw/zinc/81/60/38/429816038.db2.gz XMWHTTDRNARXBM-UHFFFAOYSA-N 2 0 311.495 2.504 20 0 DFADRP CCO[C@@H]1C[C@@H]([NH2+]CCC[N@@H+]2CCCO[C@H](C)C2)C12CCCC2 ZINC000432413451 429821935 /nfs/dbraw/zinc/82/19/35/429821935.db2.gz MRZJJSKJIXZKPZ-KZNAEPCWSA-N 2 0 324.509 2.815 20 0 DFADRP CCC1(CC)[C@H]([NH2+]CCC[N@@H+]2CCCO[C@@H](C)C2)C[C@H]1OC ZINC000432413435 429822549 /nfs/dbraw/zinc/82/25/49/429822549.db2.gz MMRFYBNUMIAWTH-GVDBMIGSSA-N 2 0 312.498 2.671 20 0 DFADRP CC(C)[NH+]1CCC([NH2+]C[C@@]2(C)COc3ccccc3O2)CC1 ZINC000527932252 429823305 /nfs/dbraw/zinc/82/33/05/429823305.db2.gz LMJPGSYDZJMGMJ-SFHVURJKSA-N 2 0 304.434 2.679 20 0 DFADRP CN(C)c1cc[nH+]cc1CNC[C@@H]1CC[N@H+](C)[C@H]1c1ccccc1 ZINC000368281338 429824132 /nfs/dbraw/zinc/82/41/32/429824132.db2.gz BJARFKWBDHQZMR-PXNSSMCTSA-N 2 0 324.472 2.930 20 0 DFADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+][C@@H]2C[C@]2(C)OC(C)C)[C@H](C)C1 ZINC000527998365 429834180 /nfs/dbraw/zinc/83/41/80/429834180.db2.gz MFGONXWPTUADEO-TVFCKZIOSA-N 2 0 312.498 2.669 20 0 DFADRP c1ccc(C[N@H+]2C[C@@H]3CCCC[C@@H]([NH2+]CC4COC4)[C@H]3C2)cc1 ZINC000528024949 429838560 /nfs/dbraw/zinc/83/85/60/429838560.db2.gz FHZXYLLGRRPMSX-SLFFLAALSA-N 2 0 314.473 2.913 20 0 DFADRP C[C@H](C[NH2+][C@H]1CCN(C2CC[NH+](C)CC2)C1)Cc1ccccc1 ZINC000368375098 429839415 /nfs/dbraw/zinc/83/94/15/429839415.db2.gz RMAIKEZGNLYQHB-HKUYNNGSSA-N 2 0 315.505 2.623 20 0 DFADRP CC[C@]1(C(=O)NC2CC[NH+](C3CCC(C)CC3)CC2)CCC[NH2+]1 ZINC000368396062 429841226 /nfs/dbraw/zinc/84/12/26/429841226.db2.gz YQIIKWRXVNSNAJ-GXOAENINSA-N 2 0 321.509 2.678 20 0 DFADRP C[NH+](C)CC(C)(C)CNC(=O)C1CC[NH+](CC2(C)CCC2)CC1 ZINC000432823055 429843628 /nfs/dbraw/zinc/84/36/28/429843628.db2.gz IDWXVRHSKWLDGX-UHFFFAOYSA-N 2 0 323.525 2.593 20 0 DFADRP C[N@H+](CCN1CC[NH+](CC2(C)CCC2)CC1)Cc1ccccc1 ZINC000432833979 429845095 /nfs/dbraw/zinc/84/50/95/429845095.db2.gz ZRFDHOHMZQUOJN-UHFFFAOYSA-N 2 0 315.505 2.926 20 0 DFADRP CCOC(=O)[C@@H]1CC[C@H]([NH2+]C2CC[NH+](C3CCCC3)CC2)C1 ZINC000368534679 429863207 /nfs/dbraw/zinc/86/32/07/429863207.db2.gz OTKJQCOWOBBWTE-ZBFHGGJFSA-N 2 0 308.466 2.715 20 0 DFADRP C[C@H]([NH2+]Cc1ccc(CN2CC[NH+](C)CC2)cc1)[C@H]1CC12CC2 ZINC000527848524 429810197 /nfs/dbraw/zinc/81/01/97/429810197.db2.gz KKOIUZJRQAVUEG-QFBILLFUSA-N 2 0 313.489 2.712 20 0 DFADRP C[C@H](CC[NH+](C)C)[NH2+][C@@H](C)c1cccc(N2CCOC2=O)c1 ZINC000493692581 429811013 /nfs/dbraw/zinc/81/10/13/429811013.db2.gz JLAOZUDTMHJTKA-KGLIPLIRSA-N 2 0 305.422 2.634 20 0 DFADRP Cc1cccc([C@@H]([NH2+][C@H](C)CN2CC[NH+](C)CC2)C(C)C)c1 ZINC000527859249 429812006 /nfs/dbraw/zinc/81/20/06/429812006.db2.gz OOBIAEKUENIVLO-MJGOQNOKSA-N 2 0 303.494 2.918 20 0 DFADRP C[N@@H+]1CC[C@H]([NH2+]CCCc2nc3ccccc3[nH]2)[C@H]2CCC[C@@H]21 ZINC000368607122 429877863 /nfs/dbraw/zinc/87/78/63/429877863.db2.gz GVIRAFJLEKNDKG-VKJFTORMSA-N 2 0 312.461 2.958 20 0 DFADRP C[C@@H]1C[N@H+](CCCn2ccnc2)[C@H](C)CN1C(=O)OC(C)(C)C ZINC000494502866 429878082 /nfs/dbraw/zinc/87/80/82/429878082.db2.gz HFTSOYXSXJAZIW-HUUCEWRRSA-N 2 0 322.453 2.603 20 0 DFADRP C[NH+](C)CCCC1CC[NH+](Cc2cc(CO)ccc2F)CC1 ZINC000528427909 429887495 /nfs/dbraw/zinc/88/74/95/429887495.db2.gz ANFWHUJYERCIEQ-UHFFFAOYSA-N 2 0 308.441 2.872 20 0 DFADRP CCc1nn(C)c(CC)c1C[N@@H+]1CCCC12CC[NH+](C)CC2 ZINC000368967145 429905259 /nfs/dbraw/zinc/90/52/59/429905259.db2.gz VJTXKXQONQKUTK-UHFFFAOYSA-N 2 0 304.482 2.605 20 0 DFADRP C[C@@H]1OCC[C@H]1C[NH+]1CCN(c2cc[nH+]c3ccccc32)CC1 ZINC000639642622 429927153 /nfs/dbraw/zinc/92/71/53/429927153.db2.gz VQEFOCNBWYARLO-HOTGVXAUSA-N 2 0 311.429 2.782 20 0 DFADRP CN(CC[N@@H+]1CC[C@@H]2C[C@H](O)CC[C@H]2C1)Cc1ccccc1 ZINC000451704707 429875711 /nfs/dbraw/zinc/87/57/11/429875711.db2.gz XLSOJWAPKRDLRU-CEXWTWQISA-N 2 0 302.462 2.601 20 0 DFADRP C[C@H](CO)C[NH+]1CCC2(CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000639726924 429961872 /nfs/dbraw/zinc/96/18/72/429961872.db2.gz QWGIDEVTLUARMK-SFHVURJKSA-N 2 0 316.489 2.993 20 0 DFADRP C[N@H+](CCN1CC[NH+](C)[C@@H](C(C)(C)C)C1)Cc1ccccc1 ZINC000639744911 429965684 /nfs/dbraw/zinc/96/56/84/429965684.db2.gz APIQXNOYWJHEIU-GOSISDBHSA-N 2 0 303.494 2.781 20 0 DFADRP CC[C@H]1CCCCN1C(=O)[C@H](C)[N@@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC000639761598 429972065 /nfs/dbraw/zinc/97/20/65/429972065.db2.gz GQJHAXUIIPATFJ-IRXDYDNUSA-N 2 0 321.509 2.584 20 0 DFADRP COc1ccc(C[N@@H+]2CCC[C@H]3C[NH+](C)CC[C@@H]32)c(C)c1OC ZINC000558423523 429972305 /nfs/dbraw/zinc/97/23/05/429972305.db2.gz MGPGFIXQKYLENM-IRXDYDNUSA-N 2 0 318.461 2.928 20 0 DFADRP CC[C@H](OCCN1CCC[C@@](O)(C[NH+](C)C)C1)c1ccccc1 ZINC000639764702 429972846 /nfs/dbraw/zinc/97/28/46/429972846.db2.gz WPARCHNTQFMWHH-RBUKOAKNSA-N 2 0 320.477 2.543 20 0 DFADRP C[NH+](C)[C@H]1CCN(Cc2cccc(C[NH+]3CCCCC3)c2)C1 ZINC000639806422 429987457 /nfs/dbraw/zinc/98/74/57/429987457.db2.gz ROFYYQPRDUJFHZ-IBGZPJMESA-N 2 0 301.478 2.808 20 0 DFADRP C[N@@H+]1CCC[C@H]1CC[NH+]1CC[C@@H](c2ccc3cccnc3n2)C1 ZINC000639791225 429982826 /nfs/dbraw/zinc/98/28/26/429982826.db2.gz JHNZZGIGHOTIHW-SJORKVTESA-N 2 0 310.445 2.903 20 0 DFADRP Cc1nsc(C)c1C[N@@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC000639683521 429945925 /nfs/dbraw/zinc/94/59/25/429945925.db2.gz JAEKZOYVPDPJOB-UHFFFAOYSA-N 2 0 302.447 2.867 20 0 DFADRP CN(C)c1ccccc1C[N@@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC000639683426 429946576 /nfs/dbraw/zinc/94/65/76/429946576.db2.gz YUCHHXUFEZXKPL-UHFFFAOYSA-N 2 0 310.445 2.860 20 0 DFADRP C[NH+](C)CCOc1ccccc1C[NH2+][C@H]1CCC12CCOCC2 ZINC000374294139 276763576 /nfs/dbraw/zinc/76/35/76/276763576.db2.gz JMFCUAAFWFWSGZ-SFHVURJKSA-N 2 0 318.461 2.676 20 0 DFADRP CCOc1cccc(C[N@@H+]2CCCN(c3cc[nH+]cc3)CC2)n1 ZINC000639704279 429952295 /nfs/dbraw/zinc/95/22/95/429952295.db2.gz PSTDDTANQZVHGY-UHFFFAOYSA-N 2 0 312.417 2.588 20 0 DFADRP CCO[C@H]1C[C@@H]([NH2+]Cc2cc(C3CC[NH2+]CC3)no2)C12CCC2 ZINC000574312138 430031687 /nfs/dbraw/zinc/03/16/87/430031687.db2.gz NVPRSOXDTJKLSN-SJORKVTESA-N 2 0 319.449 2.579 20 0 DFADRP C[C@@H]1C[C@H](C)C[N@@H+](CCC[NH2+]C[C@@H](O)Cc2ccc(F)cc2)C1 ZINC000560343206 430034686 /nfs/dbraw/zinc/03/46/86/430034686.db2.gz VCWUKFQTVYRCGW-FCEWJHQRSA-N 2 0 322.468 2.687 20 0 DFADRP C[C@H]1C[C@H]([NH3+])CC[N@@H+]1CCOc1ccc(C(F)(F)F)cc1 ZINC000574410898 430040596 /nfs/dbraw/zinc/04/05/96/430040596.db2.gz XQPNYLBGGUWMAH-WCQYABFASA-N 2 0 302.340 2.896 20 0 DFADRP CSC[C@@H](O)C[NH2+]Cc1ccccc1C[N@@H+]1CCCC[C@H]1C ZINC000574444304 430042414 /nfs/dbraw/zinc/04/24/14/430042414.db2.gz XDWJKTMMIKGKOW-QAPCUYQASA-N 2 0 322.518 2.875 20 0 DFADRP Cc1nccn1CCCC[NH+]1CCC(C)([NH+]2CCCC2)CC1 ZINC000639982634 430044482 /nfs/dbraw/zinc/04/44/82/430044482.db2.gz RVHGRZAWDCBSPC-UHFFFAOYSA-N 2 0 304.482 2.922 20 0 DFADRP CCC1([NH+]2CCCC2)CCN(C[C@@H](O)CCOC(C)C)CC1 ZINC000639987154 430045584 /nfs/dbraw/zinc/04/55/84/430045584.db2.gz XZHBFDVYVBLJBY-KRWDZBQOSA-N 2 0 312.498 2.503 20 0 DFADRP C[C@H]([NH2+][C@H]1CCN(c2ccc(Cl)cc2)C1)[C@H]1CCC[NH2+]C1 ZINC000573912450 429993097 /nfs/dbraw/zinc/99/30/97/429993097.db2.gz ROADHLSFWQJURV-DZKIICNBSA-N 2 0 307.869 2.896 20 0 DFADRP Cc1c(F)cccc1NC(=O)CC[NH2+]CCCC[N@@H+](C)C1CC1 ZINC000573913467 429993105 /nfs/dbraw/zinc/99/31/05/429993105.db2.gz GWPNBHDYLQWDJW-UHFFFAOYSA-N 2 0 321.440 2.927 20 0 DFADRP Cc1cc(C)cc(OC[C@@H](O)C[NH2+][C@@H](C)C(C)(C)C[NH+](C)C)c1 ZINC000573913792 429994582 /nfs/dbraw/zinc/99/45/82/429994582.db2.gz MUJSHIKFDSIDKM-IRXDYDNUSA-N 2 0 322.493 2.609 20 0 DFADRP CC[N@H+](Cc1ccc(C(=O)N[C@@H](C)C[C@@H](C)[NH3+])cc1)C(C)C ZINC000573924461 429996035 /nfs/dbraw/zinc/99/60/35/429996035.db2.gz ULVAIMIOHYOTQY-CABCVRRESA-N 2 0 305.466 2.773 20 0 DFADRP C[C@@H]1C[N@@H+]([C@H]2C=CCCCCC2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000559146038 429999865 /nfs/dbraw/zinc/99/98/65/429999865.db2.gz VCGXUGCDWNWZTR-CEXWTWQISA-N 2 0 305.510 2.833 20 0 DFADRP C[C@@H]([NH2+]Cc1ccccc1C[N@@H+]1CC[C@@H](O)C1)C1CC(F)(F)C1 ZINC000529540058 430023048 /nfs/dbraw/zinc/02/30/48/430023048.db2.gz DSXVASAKTWVHIO-CXAGYDPISA-N 2 0 324.415 2.777 20 0 DFADRP C[N@@H+](Cc1ccccc1)C[C@H](O)CNCc1cccc(F)c1F ZINC000634727938 430091893 /nfs/dbraw/zinc/09/18/93/430091893.db2.gz JWMXWWQLPLDOOC-MRXNPFEDSA-N 2 0 320.383 2.547 20 0 DFADRP CC1(C)C[NH2+]CC[C@H]([NH2+]Cc2cc(Cl)c3c(c2)OCCO3)C1 ZINC000634733071 430093152 /nfs/dbraw/zinc/09/31/52/430093152.db2.gz WPRXXRHFBSMUKH-ZDUSSCGKSA-N 2 0 324.852 2.979 20 0 DFADRP COCCOc1ccccc1C[NH2+][C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000634732836 430093472 /nfs/dbraw/zinc/09/34/72/430093472.db2.gz PZMOGAQWVKTVPB-MRXNPFEDSA-N 2 0 306.450 2.580 20 0 DFADRP COc1cccc2c1CC[C@H]([NH2+][C@H]1CC[NH2+]CC(C)(C)C1)C2 ZINC000634733958 430093552 /nfs/dbraw/zinc/09/35/52/430093552.db2.gz SQHVGPPTBGDYHU-HOTGVXAUSA-N 2 0 302.462 2.920 20 0 DFADRP CC[N@H+](C)[C@@H](C(=O)N[C@@H]1CC[NH2+]CC(C)(C)C1)c1ccccc1 ZINC000634761749 430106446 /nfs/dbraw/zinc/10/64/46/430106446.db2.gz IINVFEMWCUUOOI-IAGOWNOFSA-N 2 0 317.477 2.574 20 0 DFADRP CC[N@H+](C)[C@H](C(=O)N[C@H]1CC[NH2+]CC(C)(C)C1)c1ccccc1 ZINC000634761750 430106513 /nfs/dbraw/zinc/10/65/13/430106513.db2.gz IINVFEMWCUUOOI-IRXDYDNUSA-N 2 0 317.477 2.574 20 0 DFADRP Cc1nn(C)c2sc([C@H](C)[NH2+]C[C@@H]3CCCN(C)C3)cc12 ZINC000562042116 430106890 /nfs/dbraw/zinc/10/68/90/430106890.db2.gz UKRYOXXERPAUAH-STQMWFEESA-N 2 0 306.479 2.936 20 0 DFADRP C[C@H]1C[C@@H](C[N@@H+]2CCc3nc(C(C)(C)C)ncc3C2)CC[NH2+]1 ZINC000530241211 430107415 /nfs/dbraw/zinc/10/74/15/430107415.db2.gz DNELDEQWIWTQEN-KBPBESRZSA-N 2 0 302.466 2.520 20 0 DFADRP C[C@H]1CCC[C@H]([NH+]2CCC([NH2+]CCc3cncn3C)CC2)C1 ZINC000530355012 430112405 /nfs/dbraw/zinc/11/24/05/430112405.db2.gz SZDWLYBPDDKPOW-RDJZCZTQSA-N 2 0 304.482 2.595 20 0 DFADRP C[C@@H]1CCC[C@H]([NH+]2CCC([NH2+]CCc3cncn3C)CC2)C1 ZINC000530355013 430112903 /nfs/dbraw/zinc/11/29/03/430112903.db2.gz SZDWLYBPDDKPOW-WBVHZDCISA-N 2 0 304.482 2.595 20 0 DFADRP C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)CCCC[NH+](C)C)C1 ZINC000560598035 430057064 /nfs/dbraw/zinc/05/70/64/430057064.db2.gz QCTNXSTYURCRFY-FUHWJXTLSA-N 2 0 317.477 2.670 20 0 DFADRP C[NH+](C)CCCCC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000560601755 430057848 /nfs/dbraw/zinc/05/78/48/430057848.db2.gz GAQBARGJXZJNJW-UHFFFAOYSA-N 2 0 317.477 2.631 20 0 DFADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+]Cc1cn2cc(Cl)ccc2n1 ZINC000562747971 430176929 /nfs/dbraw/zinc/17/69/29/430176929.db2.gz CQURVRCLGXVXFJ-MTICYGMRSA-N 2 0 304.825 2.593 20 0 DFADRP CC[N@H+](C)C[C@@H](O)C[NH+]1CCC(CCc2ccccc2)CC1 ZINC000562442123 430132241 /nfs/dbraw/zinc/13/22/41/430132241.db2.gz JVRPEIOAJMGMSN-LJQANCHMSA-N 2 0 304.478 2.644 20 0 DFADRP CC[NH2+]Cc1ccccc1NC(=O)Cc1cccc2c1CC[NH2+]C2 ZINC000637809512 430135324 /nfs/dbraw/zinc/13/53/24/430135324.db2.gz ZXRLDRUJQYWCAT-UHFFFAOYSA-N 2 0 323.440 2.623 20 0 DFADRP CNC(=O)C[C@@H](C)[NH2+]Cc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000269066723 277001164 /nfs/dbraw/zinc/00/11/64/277001164.db2.gz ZACWZHRSNNRAJZ-MRXNPFEDSA-N 2 0 317.477 2.677 20 0 DFADRP C[NH+]1CCC(O)(C[NH2+][C@H]2CCCc3c4ccccc4[nH]c32)CC1 ZINC000289166114 277032429 /nfs/dbraw/zinc/03/24/29/277032429.db2.gz HJFILDHZKXIMDG-KRWDZBQOSA-N 2 0 313.445 2.592 20 0 DFADRP Cc1cccn2c(C[NH2+]CCn3ccc(C(F)(F)F)n3)cnc12 ZINC000634990249 430185067 /nfs/dbraw/zinc/18/50/67/430185067.db2.gz BJCRLFBFMYMFGO-UHFFFAOYSA-N 2 0 323.322 2.648 20 0 DFADRP C[C@@H]1CCCN(Cc2cccc(-c3ccc(N)cc3)n2)[C@H]1C[NH3+] ZINC000634990901 430186160 /nfs/dbraw/zinc/18/61/60/430186160.db2.gz HNPNRZSNBHHCDQ-KUHUBIRLSA-N 2 0 310.445 2.890 20 0 DFADRP C[C@@H]1CC[N@H+](Cc2cccc(-c3ccc(N)cc3)n2)C[C@@H]1C[NH3+] ZINC000634996283 430187030 /nfs/dbraw/zinc/18/70/30/430187030.db2.gz FONCQSQBZPZKMH-ZBFHGGJFSA-N 2 0 310.445 2.748 20 0 DFADRP [NH3+][C@@H]1CCC[C@H]([NH2+][C@@H]2[C@H]3Cc4c(cccc4Br)[C@@H]23)C1 ZINC000634997054 430187452 /nfs/dbraw/zinc/18/74/52/430187452.db2.gz BTWSYKHMRNEHKX-UZZFALLVSA-N 2 0 321.262 2.947 20 0 DFADRP CC(=O)Nc1ccc([C@H](C)[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000368079522 277083809 /nfs/dbraw/zinc/08/38/09/277083809.db2.gz RMZSYAMEKZGAQT-DOPJRALCSA-N 2 0 301.434 2.922 20 0 DFADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C[NH2+]C1CCC([NH3+])CC1 ZINC000635005179 430194413 /nfs/dbraw/zinc/19/44/13/430194413.db2.gz SANNPNCOGWCJQY-SVUBNXHSSA-N 3 0 301.478 2.614 20 0 DFADRP C[C@H]1CN(Cc2ccccc2)C[C@H]1[NH2+][C@H]1CC[C@H](C[NH3+])CC1 ZINC000635004305 430194540 /nfs/dbraw/zinc/19/45/40/430194540.db2.gz CWZRVORGTPQTSZ-PBWTXFEYSA-N 2 0 301.478 2.614 20 0 DFADRP O[C@H]1CCC[C@@H]1[NH+]1CCC([NH2+]Cc2ccc3[nH]ccc3c2)CC1 ZINC000581201519 430188573 /nfs/dbraw/zinc/18/85/73/430188573.db2.gz WNHIGSNIGTUCKT-OALUTQOASA-N 2 0 313.445 2.635 20 0 DFADRP CC(C)(C)c1ccc(C[N@@H+]2CC[C@@H](n3cc(C[NH3+])nn3)C2)s1 ZINC000635000315 430188741 /nfs/dbraw/zinc/18/87/41/430188741.db2.gz LTLKXZVYHKGRLI-CYBMUJFWSA-N 2 0 319.478 2.543 20 0 DFADRP CC[C@H](C)Oc1cc(C[N@@H+]2C[C@H](C)[C@@H](C[NH3+])C2)ccc1OC ZINC000634999030 430189138 /nfs/dbraw/zinc/18/91/38/430189138.db2.gz PAXOFKHMTDBIAE-DZKIICNBSA-N 2 0 306.450 2.899 20 0 DFADRP C[C@H]1C[N@H+](Cc2cn(C)nc2-c2cc3ccccc3o2)C[C@H]1C[NH3+] ZINC000634998843 430189899 /nfs/dbraw/zinc/18/98/99/430189899.db2.gz LSGJKIYXWXVAHC-DZGCQCFKSA-N 2 0 324.428 2.860 20 0 DFADRP CCCOc1c(C[N@@H+]2C[C@H](C)[C@@H](C[NH3+])C2)cccc1OCC ZINC000635000445 430190253 /nfs/dbraw/zinc/19/02/53/430190253.db2.gz OKGWZOISWOPYQJ-HOCLYGCPSA-N 2 0 306.450 2.901 20 0 DFADRP Fc1ccc([C@@H]2OCC[C@H]2[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)cc1F ZINC000635003034 430191172 /nfs/dbraw/zinc/19/11/72/430191172.db2.gz FIENZQNKJCJUOG-FOOXYVKASA-N 2 0 322.399 2.773 20 0 DFADRP C[C@H]1C[C@H](C)CN(C(=O)C[N@H+](C)CCCC[NH+]2CCCCC2)C1 ZINC000640530750 430191197 /nfs/dbraw/zinc/19/11/97/430191197.db2.gz CDQBETIOMJUFDP-ROUUACIJSA-N 2 0 323.525 2.689 20 0 DFADRP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1[NH2+]Cc1ccsc1C(F)(F)F ZINC000635002962 430191682 /nfs/dbraw/zinc/19/16/82/430191682.db2.gz CKWQTWXNJBJGKS-LSJOCFKGSA-N 2 0 308.369 2.609 20 0 DFADRP C[C@H]([NH3+])[C@H]1COCC[C@H]1[NH2+]Cc1ccsc1C(F)(F)F ZINC000635002961 430192087 /nfs/dbraw/zinc/19/20/87/430192087.db2.gz CKWQTWXNJBJGKS-JMJZKYOTSA-N 2 0 308.369 2.609 20 0 DFADRP C[N@H+](CCCC[NH+]1CCCCC1)CC(=O)NCc1ccccc1 ZINC000640530677 430192820 /nfs/dbraw/zinc/19/28/20/430192820.db2.gz GKKOCYPPVUXUSB-UHFFFAOYSA-N 2 0 317.477 2.501 20 0 DFADRP C[N@H+](CCCC[NH+]1CCCCC1)C[C@@H](O)Cc1ccc(F)cc1 ZINC000640534891 430193221 /nfs/dbraw/zinc/19/32/21/430193221.db2.gz XECTWTSFBVDUBB-IBGZPJMESA-N 2 0 322.468 2.927 20 0 DFADRP C[C@@H](Nc1cc(N2CC[NH2+]CC2)cc[nH+]1)c1cccc(F)c1 ZINC000635007077 430193252 /nfs/dbraw/zinc/19/32/52/430193252.db2.gz DRUPWQMZZIZADT-CYBMUJFWSA-N 2 0 300.381 2.803 20 0 DFADRP C[C@@H]1CN(Cc2ccccc2)C[C@H]1[NH2+][C@H]1CC[C@H](C[NH3+])CC1 ZINC000635004307 430193260 /nfs/dbraw/zinc/19/32/60/430193260.db2.gz CWZRVORGTPQTSZ-PSBWJHGTSA-N 2 0 301.478 2.614 20 0 DFADRP Cn1ccc([C@H]([NH2+][C@H]2CC[C@H](C[NH3+])CC2)c2ccc(F)cc2)n1 ZINC000635004093 430193479 /nfs/dbraw/zinc/19/34/79/430193479.db2.gz GSXOHNNPCIIOEB-MZMPZRCHSA-N 2 0 316.424 2.756 20 0 DFADRP C[N@@H+]1CC[C@H]([NH2+]C[C@H](O)c2ccc(Cl)cc2)[C@@H]2CCC[C@H]21 ZINC000367601820 277172097 /nfs/dbraw/zinc/17/20/97/277172097.db2.gz PRPQCXNFNJCABU-NXOAAHMSSA-N 2 0 308.853 2.836 20 0 DFADRP C[C@H](Cc1ccsc1)[NH+]1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000542159395 430201400 /nfs/dbraw/zinc/20/14/00/430201400.db2.gz CXVBIWRMLZFCRR-AEFFLSMTSA-N 2 0 321.534 2.781 20 0 DFADRP COC[C@H](CCC[NH3+])[NH2+]Cc1ccc(C)c(Br)c1 ZINC000635011924 430195490 /nfs/dbraw/zinc/19/54/90/430195490.db2.gz IKZWFGNFGCEDCT-ZDUSSCGKSA-N 2 0 315.255 2.601 20 0 DFADRP C[C@@H](Nc1cc(N2CC[NH2+]CC2)cc[nH+]1)c1cc(F)ccc1F ZINC000635008801 430195495 /nfs/dbraw/zinc/19/54/95/430195495.db2.gz KQYOXBPUBYXBNW-GFCCVEGCSA-N 2 0 318.371 2.943 20 0 DFADRP CC(C)[C@@H](Nc1cc(N2CC[NH2+]CC2)cc[nH+]1)c1cccnc1 ZINC000635010782 430195526 /nfs/dbraw/zinc/19/55/26/430195526.db2.gz VMSVTQJWTWVQQL-GOSISDBHSA-N 2 0 311.433 2.695 20 0 DFADRP C[C@H]1Cc2ccccc2[C@@H]1Nc1cc(N2CC[NH2+]CC2)cc[nH+]1 ZINC000635010270 430195768 /nfs/dbraw/zinc/19/57/68/430195768.db2.gz RLHNRCBGDIXFQC-IFXJQAMLSA-N 2 0 308.429 2.837 20 0 DFADRP C[C@H]([NH2+][C@H]1CC[C@H](C[NH3+])CC1)c1cccc(OCC[NH+](C)C)c1 ZINC000635009417 430196032 /nfs/dbraw/zinc/19/60/32/430196032.db2.gz YOWPUGAZWCWDMX-BQFCYCMXSA-N 3 0 319.493 2.795 20 0 DFADRP C[C@@H]([NH2+][C@H]1CC[C@H](C[NH3+])CC1)c1ccc2c(c1)CCC(=O)N2 ZINC000635009317 430196088 /nfs/dbraw/zinc/19/60/88/430196088.db2.gz XSQDPPWEJDUQAV-XJKCOSOUSA-N 2 0 301.434 2.739 20 0 DFADRP C[C@H](Cc1ccsc1)Nc1cc(N2CC[NH2+]CC2)cc[nH+]1 ZINC000635011290 430196348 /nfs/dbraw/zinc/19/63/48/430196348.db2.gz YUMVPGOOCKWZSM-CYBMUJFWSA-N 2 0 302.447 2.596 20 0 DFADRP C[C@@H](Nc1cc(N2CC[NH2+]CC2)cc[nH+]1)c1ccc2c(c1)CCO2 ZINC000635011293 430196428 /nfs/dbraw/zinc/19/64/28/430196428.db2.gz YVXVXPMNCNBKSF-CQSZACIVSA-N 2 0 324.428 2.599 20 0 DFADRP Cc1ccc([C@H](C)Nc2cc(N3CC[NH2+]CC3)cc[nH+]2)c(C)n1 ZINC000635008784 430196790 /nfs/dbraw/zinc/19/67/90/430196790.db2.gz KLELOIKIDKCEMK-HNNXBMFYSA-N 2 0 311.433 2.676 20 0 DFADRP COCCOc1ccc([C@@H](C)[NH2+][C@H]2CC[C@H](C[NH3+])CC2)cc1 ZINC000635009733 430196830 /nfs/dbraw/zinc/19/68/30/430196830.db2.gz ZCCHSZYZBCRCOF-BFYDXBDKSA-N 2 0 306.450 2.880 20 0 DFADRP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2c1nc(C)nc2c1CCCC2 ZINC000542018834 430200156 /nfs/dbraw/zinc/20/01/56/430200156.db2.gz ASOLDOPEBYIREZ-CABCVRRESA-N 2 0 300.450 2.727 20 0 DFADRP Oc1cccnc1CN1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000581396687 430203532 /nfs/dbraw/zinc/20/35/32/430203532.db2.gz POWXRUSWMWZSJS-FQEVSTJZSA-N 2 0 323.440 2.885 20 0 DFADRP C[NH+](C)Cc1ccc(C(=O)N2CC[N@H+](C)[C@@H](C(C)(C)C)C2)cc1 ZINC000640622915 430218162 /nfs/dbraw/zinc/21/81/62/430218162.db2.gz DUJFLUICHNMHIB-QGZVFWFLSA-N 2 0 317.477 2.551 20 0 DFADRP CO[C@H](Cc1ccccc1)C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000296727933 277333098 /nfs/dbraw/zinc/33/30/98/277333098.db2.gz IGEQMCRGTOPPCK-QRVBRYPASA-N 2 0 302.462 2.660 20 0 DFADRP c1ccc([C@@H](NC[C@H]2CC[N@@H+](C3CC3)C2)c2cncnc2)cc1 ZINC000542670132 430220196 /nfs/dbraw/zinc/22/01/96/430220196.db2.gz BTFIJSSXVZGPDM-DNVCBOLYSA-N 2 0 308.429 2.640 20 0 DFADRP CC[NH2+][C@H](C)C(=O)NCc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000638063343 430223563 /nfs/dbraw/zinc/22/35/63/430223563.db2.gz LUAPXMHNSYVCSX-HZPDHXFCSA-N 2 0 317.477 2.533 20 0 DFADRP CC[NH2+][C@H](C)C(=O)NCc1ccc(C[NH+]2CCC(C)CC2)cc1 ZINC000638063784 430224289 /nfs/dbraw/zinc/22/42/89/430224289.db2.gz PRFHCCMOKXGMLY-MRXNPFEDSA-N 2 0 317.477 2.533 20 0 DFADRP CCCC[N@H+](C)CC1CCN(C(=O)[C@@H]([NH3+])CCC(C)C)CC1 ZINC000638066398 430224727 /nfs/dbraw/zinc/22/47/27/430224727.db2.gz ICGGBDHWBVKRED-KRWDZBQOSA-N 2 0 311.514 2.720 20 0 DFADRP C[C@H]([NH2+][C@@H]1CCO[C@@H]1c1ccc(F)c(F)c1)[C@@H]1CCC[NH2+]C1 ZINC000565468181 430212956 /nfs/dbraw/zinc/21/29/56/430212956.db2.gz DCOLKZZPPLVDKN-OUENDJJVSA-N 2 0 310.388 2.773 20 0 DFADRP CC(C)C[N@@H+]1CCC[C@H](C[NH2+][C@H]2[C@H]3CCO[C@H]3C23CCC3)C1 ZINC000248818323 277397357 /nfs/dbraw/zinc/39/73/57/277397357.db2.gz VKJGFHHWQLKSBM-ZJPYXAASSA-N 2 0 306.494 2.902 20 0 DFADRP CN(CC[C@@H]1CCCC[N@@H+]1C)Cc1ccnn1CC1CCC1 ZINC000638118872 430241878 /nfs/dbraw/zinc/24/18/78/430241878.db2.gz YZLOEQMSHGJGIL-KRWDZBQOSA-N 2 0 304.482 2.989 20 0 DFADRP CC(C)CC[C@H]([NH3+])C(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000638126478 430243793 /nfs/dbraw/zinc/24/37/93/430243793.db2.gz VYLCBVBRHGKGTB-KRWDZBQOSA-N 2 0 309.498 2.663 20 0 DFADRP [NH3+][C@@H]1CCC[C@@H]([NH2+][C@H](c2ccc3c(c2)OCCO3)C2CC2)C1 ZINC000581894977 430249033 /nfs/dbraw/zinc/24/90/33/430249033.db2.gz NYERHODYCPDGSV-RKVPGOIHSA-N 2 0 302.418 2.768 20 0 DFADRP [NH3+]C1CCC(Nc2cccc(C[NH+]3CCC(CO)CC3)c2)CC1 ZINC000581938010 430252857 /nfs/dbraw/zinc/25/28/57/430252857.db2.gz VEWGZIYJZFIRCB-UHFFFAOYSA-N 2 0 317.477 2.573 20 0 DFADRP CC[C@]1(C[NH2+][C@@H]2CN(C3CC3)C[C@@H]2C)OCCc2ccccc21 ZINC000581973461 430256319 /nfs/dbraw/zinc/25/63/19/430256319.db2.gz OMINJMMMAVJNIL-CWFSZBLJSA-N 2 0 314.473 2.937 20 0 DFADRP Cc1nc(C[NH3+])ccc1[C@H](C)N[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000566408014 430258051 /nfs/dbraw/zinc/25/80/51/430258051.db2.gz XJVQUFKAJYJGJE-HOCLYGCPSA-N 2 0 302.466 2.516 20 0 DFADRP CC[NH+](CC)[C@H](CNC(=O)C1(C[NH+](C)C)CC1)c1ccccc1 ZINC000635188001 430225738 /nfs/dbraw/zinc/22/57/38/430225738.db2.gz GCVXDFGWJAWUSE-QGZVFWFLSA-N 2 0 317.477 2.528 20 0 DFADRP CC[NH2+][C@@H](C)C(=O)NC[C@H](c1ccccc1)[NH+]1CCC(C)CC1 ZINC000638076742 430227606 /nfs/dbraw/zinc/22/76/06/430227606.db2.gz MYQYVUZGZSKKND-FUHWJXTLSA-N 2 0 317.477 2.574 20 0 DFADRP CC(C)[C@@H]1CCC[C@@H]1[NH2+]Cc1ccncc1OCC[NH+](C)C ZINC000581630790 430227634 /nfs/dbraw/zinc/22/76/34/430227634.db2.gz CXNNXYLDUNUGOZ-IRXDYDNUSA-N 2 0 305.466 2.936 20 0 DFADRP C[C@@H]([NH2+]CCc1cncn1C)c1ncc(-c2ccccc2)n1C ZINC000581708519 430234629 /nfs/dbraw/zinc/23/46/29/430234629.db2.gz KNNPYVXCZAJLCM-CQSZACIVSA-N 2 0 309.417 2.714 20 0 DFADRP Cn1ccnc1[C@H](C1CC1)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000638104839 430237728 /nfs/dbraw/zinc/23/77/28/430237728.db2.gz NLSDNBXURPYOEH-SJORKVTESA-N 2 0 302.466 2.822 20 0 DFADRP COCCc1ncc(CN2CCC[C@@H]([NH+]3CCCC3)CC2)s1 ZINC000638104519 430237956 /nfs/dbraw/zinc/23/79/56/430237956.db2.gz IXPWBDTUCWRELX-OAHLLOKOSA-N 2 0 323.506 2.782 20 0 DFADRP CC[C@H]([NH2+]CC1CCN(c2cc[nH+]cc2)CC1)c1ccn(C)n1 ZINC000544570510 430286885 /nfs/dbraw/zinc/28/68/85/430286885.db2.gz XNZQZPQDSCUOLA-KRWDZBQOSA-N 2 0 313.449 2.772 20 0 DFADRP CC(C)C[C@H](CNC(=O)[C@H](C)[C@@H](C)[NH3+])[NH2+][C@H](C)c1ccccc1 ZINC000567802241 430290074 /nfs/dbraw/zinc/29/00/74/430290074.db2.gz ODCBAOSRARWMLU-YFHUEUNASA-N 2 0 319.493 2.851 20 0 DFADRP CCCCN(C(=O)[C@@H](C)[NH+](C)C)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000635512052 430297764 /nfs/dbraw/zinc/29/77/64/430297764.db2.gz RCIDYYSJUWQCCT-CQSZACIVSA-N 2 0 311.514 2.874 20 0 DFADRP c1ccc(N2CC[C@H](C[NH2+]CCC[NH+]3CCCCC3)C2)cc1 ZINC000638306608 430298901 /nfs/dbraw/zinc/29/89/01/430298901.db2.gz FFSNCBRCLSXYQE-GOSISDBHSA-N 2 0 301.478 2.979 20 0 DFADRP CC[NH+](CC)Cc1ccc(C[NH2+]C[C@H](OC)[C@@H]2CCOC2)cc1 ZINC000638306277 430298986 /nfs/dbraw/zinc/29/89/86/430298986.db2.gz BLTTZLXRMLWKPO-MOPGFXCFSA-N 2 0 320.477 2.670 20 0 DFADRP C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)CC[C@@H]([NH3+])c1ccccc1 ZINC000582481325 430302835 /nfs/dbraw/zinc/30/28/35/430302835.db2.gz ROOGETIIULKGEM-MAUKXSAKSA-N 2 0 317.477 2.655 20 0 DFADRP CC(C)CN(C(=O)C[N@H+](C)CC(C)(C)C)C1CC[NH+](C)CC1 ZINC000635558758 430306839 /nfs/dbraw/zinc/30/68/39/430306839.db2.gz NLZQRTJQTIANCE-UHFFFAOYSA-N 2 0 311.514 2.543 20 0 DFADRP CC(C)(O)C[NH+]1CCC([NH2+]C2CCC(C(F)(F)F)CC2)CC1 ZINC000638348185 430311598 /nfs/dbraw/zinc/31/15/98/430311598.db2.gz DOACYJLRSUKVCE-UHFFFAOYSA-N 2 0 322.415 2.932 20 0 DFADRP CCOCc1ccc(C[NH2+]C2CC[NH+](CC(C)(C)O)CC2)cc1 ZINC000638353160 430313572 /nfs/dbraw/zinc/31/35/72/430313572.db2.gz WTPHMVSWCJPBTA-UHFFFAOYSA-N 2 0 320.477 2.548 20 0 DFADRP CC[NH+]1CCN([C@H](C)C[NH2+]C[C@@]2(C)C[C@@H]2c2ccccc2)CC1 ZINC000638363311 430317775 /nfs/dbraw/zinc/31/77/75/430317775.db2.gz LMLCYQGUSFGASK-MISYRCLQSA-N 2 0 315.505 2.796 20 0 DFADRP C[C@H](C[C@H]1CCCC(=O)N1)[NH2+]CCCC[NH+]1CCC(C)CC1 ZINC000638372519 430319908 /nfs/dbraw/zinc/31/99/08/430319908.db2.gz XFDBGQHTSNLOIO-IAGOWNOFSA-N 2 0 309.498 2.535 20 0 DFADRP COc1cc(C[NH2+]CCCC[NH+]2C[C@@H](C)C[C@H](C)C2)sn1 ZINC000638372524 430320977 /nfs/dbraw/zinc/32/09/77/430320977.db2.gz XFOSXDAQDDFMEY-KBPBESRZSA-N 2 0 311.495 2.999 20 0 DFADRP CO[C@@](C)(C[NH2+]Cc1cccc(OCC[NH+](C)C)c1)C1CC1 ZINC000638381086 430323985 /nfs/dbraw/zinc/32/39/85/430323985.db2.gz GNPSUYBDTMERPC-SFHVURJKSA-N 2 0 306.450 2.532 20 0 DFADRP [NH3+][C@H]1CCC[C@H]([NH2+]CCc2nc(-c3ccncc3)cs2)C1 ZINC000582735974 430329897 /nfs/dbraw/zinc/32/98/97/430329897.db2.gz QTUMVAHBQMJIRU-KBPBESRZSA-N 2 0 302.447 2.607 20 0 DFADRP Cn1cncc1CCC[NH2+][C@H](CCO)c1ccc(Cl)cc1 ZINC000582794720 430334996 /nfs/dbraw/zinc/33/49/96/430334996.db2.gz PZNCSLMNCIVHDC-MRXNPFEDSA-N 2 0 307.825 2.719 20 0 DFADRP CCN1CCC([NH+]2CCC(C(=O)NC[C@@H](C)C(C)C)CC2)CC1 ZINC000582794632 430336507 /nfs/dbraw/zinc/33/65/07/430336507.db2.gz FXOGFOWAKJGACF-MRXNPFEDSA-N 2 0 323.525 2.591 20 0 DFADRP C[C@@H]([NH2+][C@H]1CCC[C@@H]([NH3+])C1)c1ccc(-n2cccn2)c(F)c1 ZINC000568248108 430338485 /nfs/dbraw/zinc/33/84/85/430338485.db2.gz HQYTTWMWEUWPNH-YUELXQCFSA-N 2 0 302.397 2.932 20 0 DFADRP C[NH+](C)Cc1ccc(NC(=O)CN2CCC(C)(C)C2)c(F)c1 ZINC000582855451 430342018 /nfs/dbraw/zinc/34/20/18/430342018.db2.gz SBUNLPBHNKKBDP-UHFFFAOYSA-N 2 0 307.413 2.558 20 0 DFADRP CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)CC[NH+](C)C1CCCCC1 ZINC000546015347 430342475 /nfs/dbraw/zinc/34/24/75/430342475.db2.gz NVURACFLCCEBLU-GOSISDBHSA-N 2 0 323.525 2.878 20 0 DFADRP C[C@@H](CCN1CC[NH+](C)CC1)[NH2+][C@@H]1CCc2c1cccc2Cl ZINC000546017619 430342521 /nfs/dbraw/zinc/34/25/21/430342521.db2.gz GAQAUSGKEHELEX-KBXCAEBGSA-N 2 0 321.896 2.943 20 0 DFADRP C[C@H](C[NH2+]C1CC[NH+](CC(C)(C)O)CC1)Sc1ccccc1 ZINC000638704362 430414397 /nfs/dbraw/zinc/41/43/97/430414397.db2.gz HAPKHKOURLSWAA-OAHLLOKOSA-N 2 0 322.518 2.992 20 0 DFADRP C[C@H](C[C@H]1CCCC(=O)N1)[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000638722469 430416328 /nfs/dbraw/zinc/41/63/28/430416328.db2.gz YEQRHYPKHWTCHS-NVXWUHKLSA-N 2 0 321.509 2.820 20 0 DFADRP CC[NH+](CC)[C@H](CNC(=O)C[C@H](C)n1ccnc1)c1ccco1 ZINC000568398875 430355064 /nfs/dbraw/zinc/35/50/64/430355064.db2.gz QHAOAPRGAXPFDB-LSDHHAIUSA-N 2 0 318.421 2.627 20 0 DFADRP C[C@H](C[C@@H]1CCCC(=O)N1)[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000638722471 430417036 /nfs/dbraw/zinc/41/70/36/430417036.db2.gz YEQRHYPKHWTCHS-WBVHZDCISA-N 2 0 321.509 2.820 20 0 DFADRP CC(C)C[C@@H]1CCC[C@H]([NH2+]Cc2nnc(C3CC[NH2+]CC3)[nH]2)C1 ZINC000568501082 430362902 /nfs/dbraw/zinc/36/29/02/430362902.db2.gz CSYXRJPWZHESKX-HOCLYGCPSA-N 2 0 319.497 2.966 20 0 DFADRP C[N@H+](CCC(=O)NC1CC[NH+](CC2CC2)CC1)C1CCCCC1 ZINC000547732052 430417183 /nfs/dbraw/zinc/41/71/83/430417183.db2.gz AMJYCIIQRSJBCG-UHFFFAOYSA-N 2 0 321.509 2.632 20 0 DFADRP CC[C@H]1[NH2+]CC[C@H]1C(=O)Nc1ccc(C[NH+]2CCCC2)cc1 ZINC000568507924 430364704 /nfs/dbraw/zinc/36/47/04/430364704.db2.gz PCQWUSNYZJPCKL-IAGOWNOFSA-N 2 0 301.434 2.609 20 0 DFADRP OCc1ccc(C[NH2+]C[C@H]2CC[N@H+](CCc3ccccc3)C2)cc1 ZINC000638521831 430366135 /nfs/dbraw/zinc/36/61/35/430366135.db2.gz QEZXNPXHTSLRCA-OAQYLSRUSA-N 2 0 324.468 2.833 20 0 DFADRP C[C@@H](CNC(=O)CC[N@H+](C)C1CCCCC1)C[NH+]1CCCCC1 ZINC000546723038 430366171 /nfs/dbraw/zinc/36/61/71/430366171.db2.gz NVXDOLQDQFIRAL-KRWDZBQOSA-N 2 0 323.525 2.879 20 0 DFADRP Cn1cc(CCC[NH2+]C[C@@H]2CCC[N@@H+]2CC2CCCCC2)cn1 ZINC000638522589 430366447 /nfs/dbraw/zinc/36/64/47/430366447.db2.gz TZMKLYPGSGWTKU-IBGZPJMESA-N 2 0 318.509 2.987 20 0 DFADRP C[NH+](C)CCCC1CCN(C(=O)[C@H]2CC[N@@H+]2C2CCCC2)CC1 ZINC000635752701 430366786 /nfs/dbraw/zinc/36/67/86/430366786.db2.gz MDPKHDIDEYSZRX-GOSISDBHSA-N 2 0 321.509 2.584 20 0 DFADRP C[C@@H]([NH3+])CCC(=O)NC[C@H](c1ccccc1)[NH+]1CCC(C)CC1 ZINC000193302876 277597154 /nfs/dbraw/zinc/59/71/54/277597154.db2.gz LKEUCXBUTCSDFD-SJLPKXTDSA-N 2 0 317.477 2.703 20 0 DFADRP C[C@@H]([NH2+]Cc1ccccc1C[NH+]1CCC(O)CC1)[C@H]1CC1(F)F ZINC000638721436 430417486 /nfs/dbraw/zinc/41/74/86/430417486.db2.gz ZKUHACIGMNJGTK-CXAGYDPISA-N 2 0 324.415 2.777 20 0 DFADRP [NH3+]Cc1cccc2c1N(C(=O)CC[C@H]([NH3+])c1ccccc1)CCC2 ZINC000638551786 430374993 /nfs/dbraw/zinc/37/49/93/430374993.db2.gz XOAYFUMIMBISTN-SFHVURJKSA-N 2 0 323.440 2.905 20 0 DFADRP COc1cc(C[C@H](C)[NH2+]C[C@H]2CCC[N@@H+](C(C)C)C2)ccn1 ZINC000638566313 430377697 /nfs/dbraw/zinc/37/76/97/430377697.db2.gz HCNIYSGIOYGDLP-DOTOQJQBSA-N 2 0 305.466 2.731 20 0 DFADRP NC(=O)[C@H]1CCC[N@H+](CCC[NH2+]C2CCC(=C3CCC3)CC2)C1 ZINC000638571230 430377817 /nfs/dbraw/zinc/37/78/17/430377817.db2.gz HRSCBCSRLIHMQM-KRWDZBQOSA-N 2 0 319.493 2.587 20 0 DFADRP C[NH+]1CCC(CC[NH2+]C[C@H]2CCN(c3ccccc3)C2)CC1 ZINC000638566279 430378259 /nfs/dbraw/zinc/37/82/59/430378259.db2.gz GDAGQRSFSCFYQO-GOSISDBHSA-N 2 0 301.478 2.834 20 0 DFADRP C[NH+]1CCC(CC[NH2+]Cc2ccccc2OCCCCO)CC1 ZINC000638566895 430378815 /nfs/dbraw/zinc/37/88/15/430378815.db2.gz QUOXASHWJKTLPG-UHFFFAOYSA-N 2 0 320.477 2.659 20 0 DFADRP CC[C@@H]1CCCN(C(C)(C)C[NH2+][C@H](C)C[C@@H]2CCCC(=O)N2)C1 ZINC000638593848 430383030 /nfs/dbraw/zinc/38/30/30/430383030.db2.gz AINUCUAWSICGNX-ZACQAIPSSA-N 2 0 323.525 2.924 20 0 DFADRP CC[C@@H]1CCCN(C(C)(C)C[NH2+][C@H](C)C[C@H]2CCCC(=O)N2)C1 ZINC000638593845 430383208 /nfs/dbraw/zinc/38/32/08/430383208.db2.gz AINUCUAWSICGNX-BRWVUGGUSA-N 2 0 323.525 2.924 20 0 DFADRP C[NH+](C)Cc1cc(C[NH2+]Cc2cccc(F)c2N)ccc1F ZINC000638635765 430396465 /nfs/dbraw/zinc/39/64/65/430396465.db2.gz ZJGLWPCUPDWDSY-UHFFFAOYSA-N 2 0 305.372 2.898 20 0 DFADRP Cc1cccc([C@@H](C)C[NH2+]C2CC[NH+](CC(C)(C)O)CC2)c1 ZINC000638681621 430406051 /nfs/dbraw/zinc/40/60/51/430406051.db2.gz LAMJMXGSSIKBSA-INIZCTEOSA-N 2 0 304.478 2.923 20 0 DFADRP C[C@H](Cc1ccsc1)[N@H+](C)CCN(C)C1CC[NH+](C)CC1 ZINC000583899357 430439077 /nfs/dbraw/zinc/43/90/77/430439077.db2.gz MGLCCYFEBITGFR-OAHLLOKOSA-N 2 0 309.523 2.637 20 0 DFADRP C[NH+](C)Cc1ccc(NC(=O)C[N@H+](C)CC(C)(C)C)c(F)c1 ZINC000636024485 430442716 /nfs/dbraw/zinc/44/27/16/430442716.db2.gz RBSWADQNSUERDG-UHFFFAOYSA-N 2 0 309.429 2.804 20 0 DFADRP C[C@H]([NH2+][C@@H]1CCCN(c2cccc(F)c2)C1)[C@H]1CCC[NH2+]C1 ZINC000583928699 430442804 /nfs/dbraw/zinc/44/28/04/430442804.db2.gz ZYHVCIMKPYRDKY-YQQAZPJKSA-N 2 0 305.441 2.772 20 0 DFADRP Nc1cnccc1C[NH2+]CC1CC[NH+](Cc2cccs2)CC1 ZINC000641714044 430450153 /nfs/dbraw/zinc/45/01/53/430450153.db2.gz WMBIISVGCYNLLT-UHFFFAOYSA-N 2 0 316.474 2.727 20 0 DFADRP Cc1ccccc1C[NH+]1CCC(N[C@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000584063987 430456922 /nfs/dbraw/zinc/45/69/22/430456922.db2.gz KKMHNGBKZGONMB-MJGOQNOKSA-N 2 0 301.478 2.819 20 0 DFADRP CSc1ccc(C[NH2+]C(C)(C)CCN2CC[NH+](C)CC2)o1 ZINC000641750085 430460385 /nfs/dbraw/zinc/46/03/85/430460385.db2.gz WAQMETJJSJIWLI-UHFFFAOYSA-N 2 0 311.495 2.507 20 0 DFADRP C[NH+](C)CCc1ccc(NC(=O)C23CCC[NH+](CCC2)C3)cc1 ZINC000585121352 430481463 /nfs/dbraw/zinc/48/14/63/430481463.db2.gz MZUBDWXOEYNSII-UHFFFAOYSA-N 2 0 315.461 2.605 20 0 DFADRP CC[C@@H]([NH3+])C(=O)NC[C@H]1CCCCN1Cc1cccc(Cl)c1 ZINC000584111060 430461037 /nfs/dbraw/zinc/46/10/37/430461037.db2.gz JCJPXJZGMJOZTD-HZPDHXFCSA-N 2 0 323.868 2.548 20 0 DFADRP C[NH+](C)C1CCN(CC[NH2+]C[C@@]2(C)C[C@@H]2c2ccccc2)CC1 ZINC000638879935 430465270 /nfs/dbraw/zinc/46/52/70/430465270.db2.gz ZROAKUIQRQCMMA-WOJBJXKFSA-N 2 0 315.505 2.796 20 0 DFADRP C[C@@H](C(=O)N(C)C(C)(C)C[NH+]1CCCC1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000584339894 430474217 /nfs/dbraw/zinc/47/42/17/430474217.db2.gz HUQIPISRLOAWMF-XHSDSOJGSA-N 2 0 309.498 2.581 20 0 DFADRP CC1(C)[C@H]([NH3+])C[C@H]1[NH2+]CCOc1cccc(Br)c1 ZINC000641802596 430475799 /nfs/dbraw/zinc/47/57/99/430475799.db2.gz NIBPLJBVNIVZNE-CHWSQXEVSA-N 2 0 313.239 2.543 20 0 DFADRP CC1(C)[C@@H]([NH3+])C[C@@H]1[NH2+]CCOc1ccccc1Br ZINC000641802491 430475852 /nfs/dbraw/zinc/47/58/52/430475852.db2.gz LUFSADYWECOHGI-STQMWFEESA-N 2 0 313.239 2.543 20 0 DFADRP C[N@H+](CCCC[NH2+]C[C@@H](O)Cc1cccc(Cl)c1)C1CC1 ZINC000569687286 430476865 /nfs/dbraw/zinc/47/68/65/430476865.db2.gz RFHWTFFCEILMIF-KRWDZBQOSA-N 2 0 310.869 2.707 20 0 DFADRP CCN(C[C@H]1CCC[N@@H+]1CC)C(=O)c1cccc(C[NH+](C)C)c1 ZINC000548454425 430477368 /nfs/dbraw/zinc/47/73/68/430477368.db2.gz OSONWPKFQILYKT-GOSISDBHSA-N 2 0 317.477 2.695 20 0 DFADRP CC1(C)[C@H]([NH2+]Cc2cccc(OCC(F)(F)F)c2)C[C@@H]1[NH3+] ZINC000641806418 430478132 /nfs/dbraw/zinc/47/81/32/430478132.db2.gz PIEFITASHPEKFP-QWHCGFSZSA-N 2 0 302.340 2.843 20 0 DFADRP CC1(C)[C@H]([NH3+])C[C@@H]1[NH2+]CCC(=O)Nc1cccc2ccccc21 ZINC000641808936 430479764 /nfs/dbraw/zinc/47/97/64/430479764.db2.gz VCLPGSPQPBLOFO-SJORKVTESA-N 2 0 311.429 2.884 20 0 DFADRP CC(C)[C@@H](C(=O)NCC(C)(C)C[NH+]1CCCC1)[NH+]1CCCCC1 ZINC000361396962 277720518 /nfs/dbraw/zinc/72/05/18/277720518.db2.gz IWIYGTALLJTXGB-KRWDZBQOSA-N 2 0 323.525 2.735 20 0 DFADRP Cn1ccnc1[C@@H]1CC[N@H+](CC(=O)c2c[nH]c3ccccc23)C1 ZINC000569136505 430426184 /nfs/dbraw/zinc/42/61/84/430426184.db2.gz KFPYMRDLHKQWLW-CYBMUJFWSA-N 2 0 308.385 2.574 20 0 DFADRP CC(C)[N@@H+]1CCC[C@H](CN[C@H](c2ncc[nH]2)c2ccccn2)C1 ZINC000569737873 430482557 /nfs/dbraw/zinc/48/25/57/430482557.db2.gz DZNWMOHPIRRIQS-WBVHZDCISA-N 2 0 313.449 2.604 20 0 DFADRP C(O[C@@H]1CC[NH2+]C1)C1CC[NH+](C[C@@H]2CCC3(CCCC3)O2)CC1 ZINC000641819079 430483182 /nfs/dbraw/zinc/48/31/82/430483182.db2.gz HJQQWRGMOFINQE-MSOLQXFVSA-N 2 0 322.493 2.569 20 0 DFADRP C[C@@H]([NH2+]Cc1c[nH]c2ncncc12)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000638970671 430483637 /nfs/dbraw/zinc/48/36/37/430483637.db2.gz MVRSTXKNVQPFLV-KGLIPLIRSA-N 2 0 313.449 2.652 20 0 DFADRP C[C@H](C[C@@H]1CCCC(=O)N1)[NH2+][C@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000638969362 430483865 /nfs/dbraw/zinc/48/38/65/430483865.db2.gz GKTWMSFVAORVBW-NCOADZHNSA-N 2 0 321.509 2.676 20 0 DFADRP OC[C@H]1CCC[N@@H+]1Cc1ccccc1C[NH2+]C[C@@H]1C[C@H]2C[C@H]2C1 ZINC000638970320 430484012 /nfs/dbraw/zinc/48/40/12/430484012.db2.gz LTKNMZHIPPKXEU-XWPNQZOQSA-N 2 0 314.473 2.779 20 0 DFADRP CC[C@@](C)(C[NH2+]Cc1ccccc1C[N@@H+]1CCC[C@H]1CO)OC ZINC000638972565 430484555 /nfs/dbraw/zinc/48/45/55/430484555.db2.gz VGKNRBUVKZXRCV-OALUTQOASA-N 2 0 320.477 2.548 20 0 DFADRP CC[NH+](CC)CCCC1CC[NH+](C[C@@]2(OC)CCOC2)CC1 ZINC000638977678 430486204 /nfs/dbraw/zinc/48/62/04/430486204.db2.gz OHFCVNNNATXCEL-SFHVURJKSA-N 2 0 312.498 2.626 20 0 DFADRP Cc1ccc([C@H](CN[C@@H](C)[C@H]2CCC[NH2+]C2)[NH+]2CCCC2)o1 ZINC000569919119 430496898 /nfs/dbraw/zinc/49/68/98/430496898.db2.gz JPMXVZCQDKGYSY-ULQDDVLXSA-N 2 0 305.466 2.703 20 0 DFADRP C[NH+](C)[C@H]1CCC[C@@H]([NH2+]CCC(=O)Nc2cccc(F)c2)C1 ZINC000569921090 430498372 /nfs/dbraw/zinc/49/83/72/430498372.db2.gz OEPLZPZWEVNIAM-ZBFHGGJFSA-N 2 0 307.413 2.617 20 0 DFADRP CC[N@H+](C)C[C@@H](O)C[NH+]1CCCC[C@@H]1CCc1ccccc1 ZINC000569937771 430499099 /nfs/dbraw/zinc/49/90/99/430499099.db2.gz NNHPYVCZRZTXOM-RTBURBONSA-N 2 0 304.478 2.786 20 0 DFADRP CCc1[nH+]c2ccccc2c(N2CCO[C@@H](C[NH+](C)C)C2)c1C ZINC000548782025 430500516 /nfs/dbraw/zinc/50/05/16/430500516.db2.gz XPMKJVPDPGXNAW-HNNXBMFYSA-N 2 0 313.445 2.872 20 0 DFADRP CC[C@H](C(=O)N1CC[C@@H](C[NH3+])c2ccccc21)[NH+](CC)CC ZINC000639068619 430510767 /nfs/dbraw/zinc/51/07/67/430510767.db2.gz YDZCXQATDLJTSZ-GOEBONIOSA-N 2 0 303.450 2.586 20 0 DFADRP [NH3+]C[C@@H]1CCN(C(=O)CC[C@@H]([NH3+])c2ccccc2)c2ccccc21 ZINC000639068749 430511316 /nfs/dbraw/zinc/51/13/16/430511316.db2.gz IWJUAOJIYLGKGW-FUHWJXTLSA-N 2 0 323.440 2.946 20 0 DFADRP c1cc(CCC[N@@H+]2CC[C@@]3(C2)CCC[NH2+]C3)cc2c1OCC2 ZINC000570092970 430513766 /nfs/dbraw/zinc/51/37/66/430513766.db2.gz BZDWEXXQPQHLIK-IBGZPJMESA-N 2 0 300.446 2.630 20 0 DFADRP COc1cc2c(cc1OC)[C@H]([N@H+](C)C[C@H]1CC[NH+](C)C1)CC2 ZINC000639082386 430517676 /nfs/dbraw/zinc/51/76/76/430517676.db2.gz ZMTLFODOOWULBK-XJKSGUPXSA-N 2 0 304.434 2.575 20 0 DFADRP O[C@@H](CCc1ccccc1)C[NH2+]C1CC[NH+](C2CCC2)CC1 ZINC000570155662 430518630 /nfs/dbraw/zinc/51/86/30/430518630.db2.gz PXKSSZIVXXTTDW-IBGZPJMESA-N 2 0 302.462 2.587 20 0 DFADRP O[C@H](CCc1ccccc1)C[NH2+]C1CC[NH+](C2CCC2)CC1 ZINC000570155663 430519190 /nfs/dbraw/zinc/51/91/90/430519190.db2.gz PXKSSZIVXXTTDW-LJQANCHMSA-N 2 0 302.462 2.587 20 0 DFADRP CC[NH+](CC)CC1CC[NH+](C[C@@H]2COc3ccccc3O2)CC1 ZINC000642643675 430523459 /nfs/dbraw/zinc/52/34/59/430523459.db2.gz UCHNHRSOQXPBRQ-QGZVFWFLSA-N 2 0 318.461 2.880 20 0 DFADRP C[NH+](C)[C@H]1CCC[N@H+](C[C@@H]2CCN(c3ccccc3)C2)CC1 ZINC000639106187 430526342 /nfs/dbraw/zinc/52/63/42/430526342.db2.gz WXDHGZMETXSQEI-ROUUACIJSA-N 2 0 301.478 2.929 20 0 DFADRP c1ccc(C[NH+]2C[C@H]3C[N@H+](CCC[C@H]4CCO4)C[C@H]3C2)cc1 ZINC000639120808 430531899 /nfs/dbraw/zinc/53/18/99/430531899.db2.gz USQGATMPHCEWPC-OTWHNJEPSA-N 2 0 300.446 2.619 20 0 DFADRP CO[C@@H](C[NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1)C1CCCCC1 ZINC000639125260 430533689 /nfs/dbraw/zinc/53/36/89/430533689.db2.gz YYSVINWUIPQWIS-WMZOPIPTSA-N 2 0 312.498 2.672 20 0 DFADRP COc1cc(C[C@H](C)[NH2+]C2CC([NH+]3CCCCC3)C2)ccn1 ZINC000639124819 430534303 /nfs/dbraw/zinc/53/43/03/430534303.db2.gz MOYLTBHWULAGFD-OOHWJJMZSA-N 2 0 303.450 2.628 20 0 DFADRP C[C@@H](C[NH+](C)C)N[C@@H]1CC[N@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000639168827 430551474 /nfs/dbraw/zinc/55/14/74/430551474.db2.gz VLJJYXQOZDTTSI-KVSKMBFKSA-N 2 0 301.478 2.894 20 0 DFADRP COc1cccc2c1OC[C@H]([NH2+][C@H]1C[C@@H]([NH3+])c3ccccc31)C2 ZINC000643451956 430600871 /nfs/dbraw/zinc/60/08/71/430600871.db2.gz CVVWAMSBXZUXSA-XYPHTWIQSA-N 2 0 310.397 2.733 20 0 DFADRP C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C[C@H]2CCN(c3ccccc3)C2)C1 ZINC000639178948 430557646 /nfs/dbraw/zinc/55/76/46/430557646.db2.gz PVAUKOLACXXNGK-NLWGTHIKSA-N 2 0 313.489 2.929 20 0 DFADRP COc1ccc(COCC[N@@H+]2C[C@H](C[NH3+])[C@H](C)C[C@H]2C)cc1 ZINC000643441036 430601063 /nfs/dbraw/zinc/60/10/63/430601063.db2.gz OBLNZWQBNJCDJX-INMHGKMJSA-N 2 0 306.450 2.517 20 0 DFADRP C[NH+](C)Cc1cccc(NC(=O)C[C@H]([NH3+])Cc2ccccc2)c1 ZINC000570687073 430568116 /nfs/dbraw/zinc/56/81/16/430568116.db2.gz RZTRJKNQNSTXCN-QGZVFWFLSA-N 2 0 311.429 2.647 20 0 DFADRP C[N@@H+]1CCC[C@]2(CC[NH+](C[C@H]3CCN(c4ccccc4)C3)C2)C1 ZINC000639206909 430572766 /nfs/dbraw/zinc/57/27/66/430572766.db2.gz CZXGPAPBDDPQKA-QUCCMNQESA-N 2 0 313.489 2.931 20 0 DFADRP C[C@@H](CN[C@@H]1CC[N@H+](C2CC2)[C@@H](c2ccccc2)C1)[NH+](C)C ZINC000639233937 430582331 /nfs/dbraw/zinc/58/23/31/430582331.db2.gz YZRAWBIDCTYJJM-KVSKMBFKSA-N 2 0 301.478 2.894 20 0 DFADRP Clc1ccc(N2CC[C@H](C[NH2+][C@@H]3CCC[NH2+]CC3)C2)cc1 ZINC000643453244 430602228 /nfs/dbraw/zinc/60/22/28/430602228.db2.gz SZGDJXGCSCFGMO-GDBMZVCRSA-N 2 0 307.869 2.898 20 0 DFADRP CC(C)[C@@H]1CC[C@H]1[NH2+]C[C@@H]1CCCN(C)[C@H]1c1ccnn1C ZINC000552323863 430594137 /nfs/dbraw/zinc/59/41/37/430594137.db2.gz UDFPLJCNIDIBDN-LISAXSMJSA-N 2 0 304.482 2.827 20 0 DFADRP C[C@H]([NH2+]C[C@@H]1CCN(c2ccc(Cl)cc2)C1)[C@H]1CCC[NH2+]1 ZINC000643453111 430602396 /nfs/dbraw/zinc/60/23/96/430602396.db2.gz IEXISEQASNGMPT-GRDNDAEWSA-N 2 0 307.869 2.896 20 0 DFADRP CC[C@H]([NH3+])C(=O)NC[C@H](CC(C)C)[NH2+][C@@H](C)c1ccccc1 ZINC000571043173 430599273 /nfs/dbraw/zinc/59/92/73/430599273.db2.gz BOGJPXNQIMTYES-XIRDDKMYSA-N 2 0 305.466 2.605 20 0 DFADRP CC(C)Oc1ccc2[nH+]ccc(N3CCO[C@@H]([C@@H](C)[NH3+])C3)c2c1 ZINC000643018376 430542541 /nfs/dbraw/zinc/54/25/41/430542541.db2.gz ZXRUNXJVQHYGCJ-FZKQIMNGSA-N 2 0 315.417 2.574 20 0 DFADRP C[C@@H](N[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C)[C@@H]1CCC[NH2+]C1 ZINC000570440273 430542837 /nfs/dbraw/zinc/54/28/37/430542837.db2.gz ASPMXINCMRUWDB-LFGUQSLTSA-N 2 0 315.505 2.875 20 0 DFADRP C[C@@H]1C[NH+](CCCC[NH2+]C2CCC3(CCCO3)CC2)C[C@@H](C)O1 ZINC000364948762 277889156 /nfs/dbraw/zinc/88/91/56/277889156.db2.gz FUEZOLCGXRXNEL-YYZRRKBYSA-N 2 0 324.509 2.957 20 0 DFADRP C[C@H](N[C@@H](C[NH+]1CCCCC1)c1ccccc1)[C@H]1CC[NH2+]C1 ZINC000643451909 430600729 /nfs/dbraw/zinc/60/07/29/430600729.db2.gz WJRARYRVLBZWRV-WDSOQIARSA-N 2 0 301.478 2.801 20 0 DFADRP COc1cccc([C@H](C[NH2+][C@@H]2CCC[C@H]([NH3+])C2)N2CCCC2)c1 ZINC000571821145 430654945 /nfs/dbraw/zinc/65/49/45/430654945.db2.gz NIMAUVMKMUTQFX-SCTDSRPQSA-N 2 0 317.477 2.692 20 0 DFADRP C[N@@H+](Cc1cc[nH]c(=O)c1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000639503544 430657937 /nfs/dbraw/zinc/65/79/37/430657937.db2.gz NBNVCVQEDUVADJ-SFHVURJKSA-N 2 0 311.429 2.741 20 0 DFADRP CC(C)[C@H]([NH3+])C(=O)NC[C@H](c1cccs1)[NH+]1CCC(C)CC1 ZINC000163576884 277904542 /nfs/dbraw/zinc/90/45/42/277904542.db2.gz IKHUXDNZKQKWOQ-ZBFHGGJFSA-N 2 0 323.506 2.621 20 0 DFADRP C[C@H]1CCCC[N@@H+]1CCC1CC[NH+](CCc2cnccn2)CC1 ZINC000639518256 430660280 /nfs/dbraw/zinc/66/02/80/430660280.db2.gz CXVPCDXCCCWMGP-KRWDZBQOSA-N 2 0 316.493 2.996 20 0 DFADRP C[C@H]([NH2+]CC1CC[NH+](C2CCOCC2)CC1)[C@@H]1CC1(F)F ZINC000639302292 430602793 /nfs/dbraw/zinc/60/27/93/430602793.db2.gz CYSDWPJOMFKWFT-WFASDCNBSA-N 2 0 302.409 2.511 20 0 DFADRP C[C@@H]([NH2+]C[C@H]1CCN(c2ccc(F)c(F)c2)C1)[C@@H]1CCC[NH2+]1 ZINC000643453196 430603249 /nfs/dbraw/zinc/60/32/49/430603249.db2.gz MREOKYKEGOUSSR-XNJGSVPQSA-N 2 0 309.404 2.521 20 0 DFADRP [NH3+][C@H]1CCCCC[C@H]1[NH2+]CCc1nccn1Cc1ccccc1 ZINC000643459661 430603766 /nfs/dbraw/zinc/60/37/66/430603766.db2.gz LOAYRXGBDBNZHY-ZWKOTPCHSA-N 2 0 312.461 2.724 20 0 DFADRP [NH3+][C@@H]1CCCCC[C@H]1[NH2+][C@@H]1CCN(c2ncccc2Cl)C1 ZINC000643461915 430603950 /nfs/dbraw/zinc/60/39/50/430603950.db2.gz PGIQORZKNWAXDR-BPLDGKMQSA-N 2 0 308.857 2.563 20 0 DFADRP [NH3+][C@@H]1CCCCC[C@H]1[NH2+][C@H]1CCN(c2ncccc2Cl)C1 ZINC000643461917 430603989 /nfs/dbraw/zinc/60/39/89/430603989.db2.gz PGIQORZKNWAXDR-NWANDNLSSA-N 2 0 308.857 2.563 20 0 DFADRP CCN(CC)C(=O)c1ccc(C[NH2+][C@@H](C)[C@@H]2CCC[NH2+]C2)cc1 ZINC000643459042 430604640 /nfs/dbraw/zinc/60/46/40/430604640.db2.gz VXAIHVZBABPCQF-MAUKXSAKSA-N 2 0 317.477 2.646 20 0 DFADRP [NH3+][C@@H]1CCCCC[C@H]1[NH2+]CCc1nccn1Cc1ccccc1 ZINC000643459659 430604892 /nfs/dbraw/zinc/60/48/92/430604892.db2.gz LOAYRXGBDBNZHY-QZTJIDSGSA-N 2 0 312.461 2.724 20 0 DFADRP COC[C@@H](CCC[NH3+])[NH2+]Cc1ccnc(Oc2ccccc2)c1 ZINC000643459806 430604959 /nfs/dbraw/zinc/60/49/59/430604959.db2.gz MJYADBTVRSMURF-MRXNPFEDSA-N 2 0 315.417 2.717 20 0 DFADRP CC[C@H](C)[C@H](C[NH2+]CC1CC[NH+](Cc2ccncc2)CC1)OC ZINC000639310778 430605598 /nfs/dbraw/zinc/60/55/98/430605598.db2.gz HFLTYZLCXABYMS-LPHOPBHVSA-N 2 0 319.493 2.944 20 0 DFADRP CC(C)[C@H](C[NH2+][C@@H](Cc1ccccc1)[C@@H](C)[NH3+])c1ccnn1C ZINC000643484272 430606927 /nfs/dbraw/zinc/60/69/27/430606927.db2.gz MTSGBZWQMWFETE-NJAFHUGGSA-N 2 0 314.477 2.708 20 0 DFADRP CC(C)[NH+](CCNC(=O)c1ccc(CC[NH+](C)C)cc1)C(C)C ZINC000553177423 430610632 /nfs/dbraw/zinc/61/06/32/430610632.db2.gz BINOOKHFJJNZMN-UHFFFAOYSA-N 2 0 319.493 2.639 20 0 DFADRP C[C@H]([NH2+][C@H]1CCCC[C@@H]1C[NH3+])c1ccc2c(c1)CCC(=O)N2 ZINC000643512057 430611278 /nfs/dbraw/zinc/61/12/78/430611278.db2.gz FMWLZKWXZNDSJT-MAZHCROVSA-N 2 0 301.434 2.739 20 0 DFADRP CC[C@@H]([NH2+][C@@H]1CC12CC[NH2+]CC2)c1ccc2c(c1)OCCO2 ZINC000643534260 430612468 /nfs/dbraw/zinc/61/24/68/430612468.db2.gz PBYQSEFQTRXYBH-RHSMWYFYSA-N 2 0 302.418 2.641 20 0 DFADRP CC(C)[C@H]([NH2+][C@H]1CCC[NH2+]CC1)c1ccc2[nH]c(=O)oc2c1 ZINC000643521829 430612576 /nfs/dbraw/zinc/61/25/76/430612576.db2.gz CPSCPVWCMDUGFW-BBRMVZONSA-N 2 0 303.406 2.962 20 0 DFADRP COc1ccc([C@H](C)[C@@H](C)[NH2+][C@H]2CCC[NH2+]CC2)cc1OC ZINC000643522781 430613173 /nfs/dbraw/zinc/61/31/73/430613173.db2.gz SMBZXEKETXDDIA-FMKPAKJESA-N 2 0 306.450 2.928 20 0 DFADRP COc1cc([C@H](C)[NH2+][C@@H]2CC23CC[NH2+]CC3)cc(OC)c1OC ZINC000643534052 430613597 /nfs/dbraw/zinc/61/35/97/430613597.db2.gz KIQWUQMWMYNKEJ-BLLLJJGKSA-N 2 0 320.433 2.505 20 0 DFADRP C[C@H]([NH2+][C@@H]1CC12CC[NH2+]CC2)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000643536484 430614008 /nfs/dbraw/zinc/61/40/08/430614008.db2.gz UIPQQWQAEFXIDM-QXAKKESOSA-N 3 0 313.489 2.629 20 0 DFADRP COC[C@H]([NH2+][C@H]1CC12CC[NH2+]CC2)c1cccc(Cl)c1F ZINC000643535270 430614043 /nfs/dbraw/zinc/61/40/43/430614043.db2.gz ALYYNNRKANZSRS-KBPBESRZSA-N 2 0 312.816 2.898 20 0 DFADRP COc1cccc(C[C@@H]([NH2+][C@@H]2CC23CC[NH2+]CC3)C2CC2)c1 ZINC000643535628 430614303 /nfs/dbraw/zinc/61/43/03/430614303.db2.gz OAKDCIWQEWHSFN-QZTJIDSGSA-N 2 0 300.446 2.748 20 0 DFADRP Cc1nccn1-c1ccc([C@H](C)[NH2+][C@@H]2CC23CC[NH2+]CC3)cc1 ZINC000643537071 430614327 /nfs/dbraw/zinc/61/43/27/430614327.db2.gz YSYHRMFMWFUNMF-KBXCAEBGSA-N 2 0 310.445 2.973 20 0 DFADRP C[C@H]([NH2+][C@@H]1CC12CC[NH2+]CC2)c1cc(-c2ccccc2)nn1C ZINC000643536934 430615015 /nfs/dbraw/zinc/61/50/15/430615015.db2.gz YWKIQHINFXZAGZ-KBXCAEBGSA-N 2 0 310.445 2.880 20 0 DFADRP CC(=O)Nc1ccc([C@H](C)[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC000643549104 430615713 /nfs/dbraw/zinc/61/57/13/430615713.db2.gz AWPVSMGLDNFGJB-VYSRMENRSA-N 2 0 301.434 2.684 20 0 DFADRP Cc1ccc(NC(=O)C[N@@H+]2CCC(C)(C)C2)c(C[NH+](C)C)c1 ZINC000553465481 430617484 /nfs/dbraw/zinc/61/74/84/430617484.db2.gz CWTOEKGDBPBKTH-UHFFFAOYSA-N 2 0 303.450 2.727 20 0 DFADRP C[C@H](Cc1ccc(Cl)cc1)[NH2+][C@@H]1CCC[C@@H]1N1CC[C@H](O)C1 ZINC000639371227 430622363 /nfs/dbraw/zinc/62/23/63/430622363.db2.gz FYJUZVKIDJTBPO-RNJTYBCJSA-N 2 0 322.880 2.848 20 0 DFADRP Cc1cccc(CC[C@H](C)[NH2+][C@@H]2CCC[C@@H]2N2CC[C@H](O)C2)c1 ZINC000639369956 430623187 /nfs/dbraw/zinc/62/31/87/430623187.db2.gz BIAANROWDONBHE-FFGOWVMKSA-N 2 0 316.489 2.893 20 0 DFADRP CC(C)[C@H](CO)C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000554096971 430629718 /nfs/dbraw/zinc/62/97/18/430629718.db2.gz SXQKNAXRBNLPNY-WDSOQIARSA-N 2 0 304.478 2.751 20 0 DFADRP C[C@@H]1CCCC[N@@H+]1CCCNC(=O)CC[C@H]1CCCC[NH+]1C ZINC000554213597 430630464 /nfs/dbraw/zinc/63/04/64/430630464.db2.gz DRXZLOFZBHJQFG-IAGOWNOFSA-N 2 0 309.498 2.632 20 0 DFADRP [NH3+][C@@H]1CCC[C@H]([NH2+]CCc2cnc(SC3CCCC3)nc2)C1 ZINC000572257318 430678823 /nfs/dbraw/zinc/67/88/23/430678823.db2.gz MGQCKMCVLQGSFB-CABCVRRESA-N 2 0 320.506 2.913 20 0 DFADRP CC(C)[N@H+](C)CC1CCN(C(=O)[C@@H]2CCCCCC[C@H]2[NH3+])CC1 ZINC000572359234 430683935 /nfs/dbraw/zinc/68/39/35/430683935.db2.gz AEEIBZAFTFOGRU-QZTJIDSGSA-N 2 0 323.525 2.863 20 0 DFADRP CC(C)c1ccc([C@H](C)[N@@H+]2CC[C@H](N3CC[NH2+]CC3)C2)cc1 ZINC000262521106 278047967 /nfs/dbraw/zinc/04/79/67/278047967.db2.gz OCCDEMZEOFHLQL-LPHOPBHVSA-N 2 0 301.478 2.851 20 0 DFADRP C[C@H](C(=O)NC[C@H](C)[N@@H+]1CCCC[C@H]1C)[NH+]1CCCCCC1 ZINC000357774837 278152050 /nfs/dbraw/zinc/15/20/50/278152050.db2.gz ZNGLYXQOMDMWHX-IXDOHACOSA-N 2 0 309.498 2.630 20 0 DFADRP C[C@H](CC(=O)N(C)c1ccccc1)[NH2+]CC1(C)CC[NH+](C)CC1 ZINC000272594146 278162125 /nfs/dbraw/zinc/16/21/25/278162125.db2.gz SJNZECOGFVBTJX-MRXNPFEDSA-N 2 0 317.477 2.750 20 0 DFADRP C[C@H](CNC(=O)C[C@H]1CCCC[C@@H]1[NH3+])[N@H+](C)Cc1ccccc1 ZINC000296108978 278197870 /nfs/dbraw/zinc/19/78/70/278197870.db2.gz SGCAPMGFBOHWGA-NXHRZFHOSA-N 2 0 317.477 2.531 20 0 DFADRP C[C@@H](C(=O)NC1CCCCC1)[N@@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000374173159 278206043 /nfs/dbraw/zinc/20/60/43/278206043.db2.gz HCKASYPORZFIPG-INIZCTEOSA-N 2 0 321.509 2.632 20 0 DFADRP C[C@@H]([NH2+]CC1=CC[N@H+](C)CC1)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000274750875 278341310 /nfs/dbraw/zinc/34/13/10/278341310.db2.gz HKHWQZYUMGCHFP-YLJYHZDGSA-N 3 0 313.489 2.749 20 0 DFADRP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+]C[C@@H]1C(C)(C)C1(F)F ZINC000657739315 430720054 /nfs/dbraw/zinc/72/00/54/430720054.db2.gz XWIRCSWFKYTKPO-CQSZACIVSA-N 2 0 306.360 2.957 20 0 DFADRP CSc1ccc(C[NH2+]C2CCN([C@H]3CCOC3)CC2)s1 ZINC000657751368 430724717 /nfs/dbraw/zinc/72/47/17/430724717.db2.gz HQODMCJFCWQDKZ-ZDUSSCGKSA-N 2 0 312.504 2.813 20 0 DFADRP Fc1ccc(/C=C/C[NH2+]C2CCN([C@@H]3CCOC3)CC2)cc1F ZINC000657753190 430726300 /nfs/dbraw/zinc/72/63/00/430726300.db2.gz VEIIRENVLBZZCC-XGBNDESESA-N 2 0 322.399 2.821 20 0 DFADRP c1cc(C[NH2+]C2CCN([C@H]3CCOC3)CC2)cc(C2CC2)c1 ZINC000657752822 430726556 /nfs/dbraw/zinc/72/65/56/430726556.db2.gz SDBJUNPEZQNSKI-IBGZPJMESA-N 2 0 300.446 2.907 20 0 DFADRP O[C@H](C[NH2+]CCCCC[NH+]1CCCC1)Cc1ccc(F)cc1 ZINC000644654459 430781185 /nfs/dbraw/zinc/78/11/85/430781185.db2.gz NUKOQIKHZDOJNA-SFHVURJKSA-N 2 0 308.441 2.585 20 0 DFADRP CN(Cc1ccccc1)C[C@H](O)C[NH2+]C[C@@H]1C[C@H]1c1ccccc1 ZINC000644654601 430781574 /nfs/dbraw/zinc/78/15/74/430781574.db2.gz KMELKTYLFFNKNP-HBMCJLEFSA-N 2 0 324.468 2.873 20 0 DFADRP c1n[nH]cc1C[NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CC12CCC2 ZINC000657772079 430733351 /nfs/dbraw/zinc/73/33/51/430733351.db2.gz RCSKKNLJDKZKFI-SFHVURJKSA-N 2 0 310.445 2.802 20 0 DFADRP Cc1c(F)cccc1NC(=O)CC[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000644524134 430744629 /nfs/dbraw/zinc/74/46/29/430744629.db2.gz VVPFIWCDBHKBHG-HUUCEWRRSA-N 2 0 319.424 2.679 20 0 DFADRP COc1cc(C[NH2+]CC2CC[NH+](CC3CC3)CC2)cc(OC)c1 ZINC000657812235 430744827 /nfs/dbraw/zinc/74/48/27/430744827.db2.gz PBRKIPRKSZZWHE-UHFFFAOYSA-N 2 0 318.461 2.915 20 0 DFADRP COC[C@@H](CC1CCOCC1)[NH2+]Cc1cccc(C[NH+](C)C)c1 ZINC000657828271 430745564 /nfs/dbraw/zinc/74/55/64/430745564.db2.gz RDLNAQQRUMSQFV-LJQANCHMSA-N 2 0 320.477 2.670 20 0 DFADRP Cc1cccc(CC[NH2+]C[C@H](O)CN(C)Cc2ccccc2)c1 ZINC000644533526 430745614 /nfs/dbraw/zinc/74/56/14/430745614.db2.gz FCMLGAIGLOLGCX-FQEVSTJZSA-N 2 0 312.457 2.620 20 0 DFADRP C[C@H]([NH2+]CCCN1CC[NH+](C)CC1)c1cc2ccncc2s1 ZINC000657823684 430746303 /nfs/dbraw/zinc/74/63/03/430746303.db2.gz KJURKYJZEQSXKP-AWEZNQCLSA-N 2 0 318.490 2.584 20 0 DFADRP C[C@@H]([NH2+]C[C@H](O)CN1CCCCC1)c1cc2ccncc2s1 ZINC000657846699 430752531 /nfs/dbraw/zinc/75/25/31/430752531.db2.gz PRFJXIUDUXTEDT-HIFRSBDPSA-N 2 0 319.474 2.794 20 0 DFADRP C[NH+](C)CCOc1ccccc1C[NH2+]C1CC(CF)(CF)C1 ZINC000657862659 430754418 /nfs/dbraw/zinc/75/44/18/430754418.db2.gz PPUCSWDZRZJFKR-UHFFFAOYSA-N 2 0 312.404 2.804 20 0 DFADRP C[NH+](C)Cc1cc(C[NH2+]C[C@H](O)CC2CCCC2)ccc1F ZINC000644568477 430755140 /nfs/dbraw/zinc/75/51/40/430755140.db2.gz ZOQLJUPIDQJBAB-QGZVFWFLSA-N 2 0 308.441 2.918 20 0 DFADRP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@@H]2[C@@H]3CCC[C@@H]3C2(C)C)CC1 ZINC000657870849 430756555 /nfs/dbraw/zinc/75/65/55/430756555.db2.gz QUBZDBIMWMHTMC-ZJPYXAASSA-N 2 0 307.526 2.674 20 0 DFADRP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@H](C)c1cc2ccncc2s1 ZINC000657877069 430759578 /nfs/dbraw/zinc/75/95/78/430759578.db2.gz BORZNTGUOGFZAJ-ZIAGYGMSSA-N 2 0 318.490 2.583 20 0 DFADRP Cc1c(F)cccc1NC(=O)CC[NH2+][C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000644583798 430761173 /nfs/dbraw/zinc/76/11/73/430761173.db2.gz KMSZJLSKWOOXOZ-LSDHHAIUSA-N 2 0 321.440 2.925 20 0 DFADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]C2CC(CF)(CF)C2)[C@H](C)C1 ZINC000657884543 430761302 /nfs/dbraw/zinc/76/13/02/430761302.db2.gz VGGFXIPXEGREDU-ZBFHGGJFSA-N 2 0 318.452 2.801 20 0 DFADRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@@H](C)c1cc2cnccc2o1 ZINC000657901290 430763324 /nfs/dbraw/zinc/76/33/24/430763324.db2.gz BHTHXBGMBSMLSW-DZGCQCFKSA-N 2 0 305.422 2.835 20 0 DFADRP C[C@H]([NH2+]C1CC[NH+]([C@@H]2CCC[C@H]2O)CC1)C(C)(C)C(F)F ZINC000657925976 430768559 /nfs/dbraw/zinc/76/85/59/430768559.db2.gz QJEWDHFMJFURKG-IACUBPJLSA-N 2 0 304.425 2.634 20 0 DFADRP CC[C@@H]1C[C@@H]([NH2+]Cc2ccccc2CN2CCOCC2)CCO1 ZINC000648406080 430775055 /nfs/dbraw/zinc/77/50/55/430775055.db2.gz PEXCVUNQVOARIS-RBUKOAKNSA-N 2 0 318.461 2.566 20 0 DFADRP CC[C@H]1C[C@H]([NH2+]Cc2ccc(CN3CCOCC3)cc2)CCO1 ZINC000648406031 430776145 /nfs/dbraw/zinc/77/61/45/430776145.db2.gz AFHXDYLFHODQHB-MOPGFXCFSA-N 2 0 318.461 2.566 20 0 DFADRP CC[C@H]([NH2+]Cc1ccccc1C[NH+]1C[C@@H](C)C[C@H](C)C1)C(N)=O ZINC000112529672 288050875 /nfs/dbraw/zinc/05/08/75/288050875.db2.gz ACRHLVCGMBMTRS-MPGHIAIKSA-N 2 0 317.477 2.518 20 0 DFADRP CC(C)(C)[C@H]([NH3+])C(=O)NCC1([NH+]2CCCCC2)CCCCC1 ZINC000236687446 278526351 /nfs/dbraw/zinc/52/63/51/278526351.db2.gz ATIZKWTVXAJDTQ-OAHLLOKOSA-N 2 0 309.498 2.665 20 0 DFADRP COc1ccc2c(c1)[C@H]([NH2+][C@@H](C)CN(C)CCC[NH+](C)C)CC2 ZINC000658109680 430815165 /nfs/dbraw/zinc/81/51/65/430815165.db2.gz URBXEORHVXQXEO-HNAYVOBHSA-N 2 0 319.493 2.544 20 0 DFADRP Cc1c([C@@H](C)[NH2+][C@@H](C)CN(C)CCC[NH+](C)C)cnn1C(C)C ZINC000658108697 430815698 /nfs/dbraw/zinc/81/56/98/430815698.db2.gz QVOJOKAVAPEVMD-JKSUJKDBSA-N 2 0 323.529 2.695 20 0 DFADRP C[C@@H]([NH2+]CC1CC[NH+](Cc2ccncc2)CC1)[C@@]1(C)CCCO1 ZINC000658166812 430833560 /nfs/dbraw/zinc/83/35/60/430833560.db2.gz PGSRKMUEHLYTCE-VQIMIIECSA-N 2 0 317.477 2.841 20 0 DFADRP CC[C@H]([NH2+]CC1CC[NH+](Cc2ccncc2)CC1)[C@@H]1CCOC1 ZINC000658166785 430833726 /nfs/dbraw/zinc/83/37/26/430833726.db2.gz OVIDCAHKMWPPRP-MOPGFXCFSA-N 2 0 317.477 2.698 20 0 DFADRP CO[C@@H]1[C@H](C)[C@@H]([NH2+]CC2CC[NH+](C3CCOCC3)CC2)C1(C)C ZINC000658068747 430797281 /nfs/dbraw/zinc/79/72/81/430797281.db2.gz YTKMPJCIJGJMND-ZTFGCOKTSA-N 2 0 324.509 2.527 20 0 DFADRP CC[C@@H]([NH2+]CC1CC[NH+](C2CCOCC2)CC1)C1CCOCC1 ZINC000658066922 430798078 /nfs/dbraw/zinc/79/80/78/430798078.db2.gz GXNIIFHJYAMIHO-LJQANCHMSA-N 2 0 324.509 2.672 20 0 DFADRP C[NH+](C)C1CCN(CC[NH2+][C@H]2CCCc3ccccc3C2)CC1 ZINC000648500247 430809583 /nfs/dbraw/zinc/80/95/83/430809583.db2.gz QYZQQYPWVBZSTK-IBGZPJMESA-N 2 0 315.505 2.550 20 0 DFADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]C[C@]2(C)CC2(F)F)[C@@H](C)C1 ZINC000658223402 430845961 /nfs/dbraw/zinc/84/59/61/430845961.db2.gz YZQAGBMKOIJMNQ-KKUMJFAQSA-N 2 0 304.425 2.758 20 0 DFADRP C[NH+](C)Cc1ccc(F)c(-c2cncc([C@@H]3OCC[C@H]3[NH3+])c2)c1 ZINC000665196213 430851036 /nfs/dbraw/zinc/85/10/36/430851036.db2.gz GPDYIKPDNUGGKD-MSOLQXFVSA-N 2 0 315.392 2.738 20 0 DFADRP C[C@H]([NH3+])c1ccc(-c2cncc([C@@H]3OCC[C@H]3[NH3+])c2)cc1F ZINC000665198547 430853028 /nfs/dbraw/zinc/85/30/28/430853028.db2.gz DACHBZHPKSDSMS-HKJPBSJPSA-N 2 0 301.365 2.696 20 0 DFADRP CN(C)c1cc[nH+]c(NC(=O)[C@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000654996261 430862896 /nfs/dbraw/zinc/86/28/96/430862896.db2.gz LUFUIITUCFUGGQ-INIZCTEOSA-N 2 0 324.428 2.608 20 0 DFADRP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]CCc1noc2ccccc12 ZINC000665232534 430864835 /nfs/dbraw/zinc/86/48/35/430864835.db2.gz OOXTUQISYFHUFN-KBXCAEBGSA-N 2 0 309.413 2.918 20 0 DFADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]C[C@@H](OC1CCCC1)C(F)(F)F ZINC000665237612 430864913 /nfs/dbraw/zinc/86/49/13/430864913.db2.gz FNZGATWEIDKGTJ-FPMFFAJLSA-N 2 0 308.388 2.984 20 0 DFADRP C[C@H](Cc1ccccc1)[NH+]1CCC(NCC2([NH3+])CCCC2)CC1 ZINC000665246972 430868136 /nfs/dbraw/zinc/86/81/36/430868136.db2.gz SCQUYWWJDTUYEU-QGZVFWFLSA-N 2 0 315.505 2.943 20 0 DFADRP C[C@@H]1CC[NH+](CCCC[N@H+]2CC[C@@H](C)O[C@@H](C)C2)C[C@H](C)O1 ZINC000661858380 430869741 /nfs/dbraw/zinc/86/97/41/430869741.db2.gz RQBRAQORRMFNFH-BDXSIMOUSA-N 2 0 312.498 2.765 20 0 DFADRP C[C@@H](CCCC[NH3+])[NH2+][C@@H]1CNCC[C@@H]1c1ccc(F)c(F)c1 ZINC000665253112 430871304 /nfs/dbraw/zinc/87/13/04/430871304.db2.gz HDKUVJUIIJAEHF-DXCKQFNASA-N 2 0 311.420 2.517 20 0 DFADRP C[C@H]1[C@H](O)CCC[N@@H+]1Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000648723994 430871743 /nfs/dbraw/zinc/87/17/43/430871743.db2.gz LCYMPBNDISHDFH-QFBILLFUSA-N 2 0 318.461 2.506 20 0 DFADRP CC[NH+](CC)Cc1cccc(NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)c1 ZINC000648730262 430873534 /nfs/dbraw/zinc/87/35/34/430873534.db2.gz OZKVURSTYDOSST-RHSMWYFYSA-N 2 0 303.450 2.807 20 0 DFADRP c1ccc([C@@H]2CO[C@H](C[NH2+][C@@H]3CC[C@H]4C[NH2+]C[C@H]4C3)C2)cc1 ZINC000665263267 430875751 /nfs/dbraw/zinc/87/57/51/430875751.db2.gz JKAOTCPNCHTCDF-APAFKAMOSA-N 2 0 300.446 2.537 20 0 DFADRP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]Cc1cccc(COC[C@H]2CCCO2)c1 ZINC000665294428 430889509 /nfs/dbraw/zinc/88/95/09/430889509.db2.gz OQEIVUMCMKHTIG-OTWHNJEPSA-N 2 0 318.461 2.599 20 0 DFADRP [NH3+][C@@H]1CCC[C@@H]([NH2+]Cc2cccc(COC[C@H]3CCCO3)c2)C1 ZINC000665294637 430889524 /nfs/dbraw/zinc/88/95/24/430889524.db2.gz SLKJKLVWIYTXOX-GUDVDZBRSA-N 2 0 318.461 2.742 20 0 DFADRP c1ccc([C@H]2CC[C@H]2[NH2+][C@@H]2CCOC[C@H]2[C@H]2CCC[NH2+]2)cc1 ZINC000665273711 430878674 /nfs/dbraw/zinc/87/86/74/430878674.db2.gz CELMQTGYGGTQJE-RHQZKXFESA-N 2 0 300.446 2.679 20 0 DFADRP Cn1ncc(C2CCC2)c1C[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000665274398 430878736 /nfs/dbraw/zinc/87/87/36/430878736.db2.gz PJNKRIKNAUTJSK-BHYGNILZSA-N 2 0 302.466 2.698 20 0 DFADRP Cn1ncc(C2CCC2)c1C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000665274400 430879106 /nfs/dbraw/zinc/87/91/06/430879106.db2.gz PJNKRIKNAUTJSK-HYVNUMGLSA-N 2 0 302.466 2.698 20 0 DFADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]Cc1c(C2CCC2)cnn1C ZINC000665274765 430879341 /nfs/dbraw/zinc/87/93/41/430879341.db2.gz YDVPFSKLIKBFRY-GFCCVEGCSA-N 2 0 313.449 2.701 20 0 DFADRP C[C@H](c1ccccc1)[C@H](O)C[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@@H]21 ZINC000658337946 430879409 /nfs/dbraw/zinc/87/94/09/430879409.db2.gz BLTOVRHKLUTGGU-RXABAKJHSA-N 2 0 302.462 2.613 20 0 DFADRP CO[C@@]1(C)C[C@H]1[NH2+]C1CC[NH+]([C@@H](C)Cc2ccccc2)CC1 ZINC000658332657 430879516 /nfs/dbraw/zinc/87/95/16/430879516.db2.gz QTEGFEMPVKGPMK-IPELMVKDSA-N 2 0 302.462 2.849 20 0 DFADRP CC(C)(C)C[C@H]([NH2+]Cc1nc(C[NH3+])cc(=O)[nH]1)c1ccccc1 ZINC000665291506 430887071 /nfs/dbraw/zinc/88/70/71/430887071.db2.gz CWNLPIBAZYBMNC-HNNXBMFYSA-N 2 0 314.433 2.908 20 0 DFADRP CC[C@@H]1CC[C@@H](C)C[C@H]1[NH2+]C1CCN(C(=O)CCC[NH2+]C)CC1 ZINC000665289159 430887399 /nfs/dbraw/zinc/88/73/99/430887399.db2.gz IBISMSWQNDWMEZ-JFIYKMOQSA-N 2 0 323.525 2.781 20 0 DFADRP C[NH2+]CCCC(=O)N1CCC([NH2+][C@H](C)c2csc(C)c2)CC1 ZINC000665289510 430887490 /nfs/dbraw/zinc/88/74/90/430887490.db2.gz PZSRZNHCNNKJON-CQSZACIVSA-N 2 0 323.506 2.698 20 0 DFADRP CC[C@@H]([NH2+]C1CCN(C(=O)CCC[NH2+]C)CC1)c1ccsc1 ZINC000665289708 430887495 /nfs/dbraw/zinc/88/74/95/430887495.db2.gz VHICJWDLUXEPPI-MRXNPFEDSA-N 2 0 323.506 2.779 20 0 DFADRP CCC[C@H]([NH2+]C1CCN(C(=O)CCC[NH2+]C)CC1)C1CCC1 ZINC000665289815 430887539 /nfs/dbraw/zinc/88/75/39/430887539.db2.gz XWNIWFBHVNINFA-KRWDZBQOSA-N 2 0 309.498 2.535 20 0 DFADRP C[C@H]([NH2+]C[C@@H]1C[C@H](c2ccccc2)CO1)C1CC[NH+](C)CC1 ZINC000658205223 430841128 /nfs/dbraw/zinc/84/11/28/430841128.db2.gz AQTQKAIBVYCQBN-SNRMKQJTSA-N 2 0 302.462 2.879 20 0 DFADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]C[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000665299916 430890653 /nfs/dbraw/zinc/89/06/53/430890653.db2.gz VILFNBNLIUCBCB-YOEHRIQHSA-N 3 0 316.493 2.621 20 0 DFADRP COc1ccccc1-c1cc(C[NH2+][C@@H]2CCC[C@@H]2C[NH3+])on1 ZINC000665299946 430891110 /nfs/dbraw/zinc/89/11/10/430891110.db2.gz VOFCUFCGJULWLV-IUODEOHRSA-N 2 0 301.390 2.567 20 0 DFADRP [NH3+]CC1CCC([NH2+][C@@H]2CCc3ccccc3-n3ccnc32)CC1 ZINC000665299880 430891388 /nfs/dbraw/zinc/89/13/88/430891388.db2.gz UYHLKSWJIQWFIW-BDVYOWHSSA-N 2 0 310.445 2.967 20 0 DFADRP C([NH2+][C@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1)[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000665299636 430891491 /nfs/dbraw/zinc/89/14/91/430891491.db2.gz QRPZPNGGUNSYNE-VJANTYMQSA-N 3 0 305.510 2.619 20 0 DFADRP CCC(CC)Nc1cc[nH+]cc1NC(=O)CC1CC[NH+](C)CC1 ZINC000655098600 430895277 /nfs/dbraw/zinc/89/52/77/430895277.db2.gz CBXLNWNRPIEWLN-UHFFFAOYSA-N 2 0 318.465 2.774 20 0 DFADRP CC(C)(C[NH2+]Cc1cc(C2CC[NH2+]CC2)no1)[C@@H]1CCCCO1 ZINC000645075923 430897080 /nfs/dbraw/zinc/89/70/80/430897080.db2.gz YWZNNXXASVQMFN-KRWDZBQOSA-N 2 0 321.465 2.827 20 0 DFADRP Cc1cc(F)ccc1[C@H](O)C[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000363589143 278702793 /nfs/dbraw/zinc/70/27/93/278702793.db2.gz KQSOJHRWVFDTCC-LJQANCHMSA-N 2 0 320.452 2.975 20 0 DFADRP CC(C)C[N@@H+]1Cc2cccc(NC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)c2C1 ZINC000648835102 430908797 /nfs/dbraw/zinc/90/87/97/430908797.db2.gz CGCCPPBTCMRUOI-GDBMZVCRSA-N 2 0 315.461 2.937 20 0 DFADRP CC(C)[C@@H](C(=O)N(C)[C@H](C)C1CC[NH+](C)CC1)[NH+]1CCCCC1 ZINC000648845266 430910739 /nfs/dbraw/zinc/91/07/39/430910739.db2.gz QBPDIVMGIAVWGG-AEFFLSMTSA-N 2 0 323.525 2.686 20 0 DFADRP CC(C)[N@@H+]1CC[C@H](N(C)Cc2ccc(OCC[NH+](C)C)cc2)C1 ZINC000648872457 430922952 /nfs/dbraw/zinc/92/29/52/430922952.db2.gz BTDHYBCNFWTYAR-SFHVURJKSA-N 2 0 319.493 2.542 20 0 DFADRP CCc1nccn1[C@@H](C)CC(=O)NC[C@H]1[N@H+](C)CCCC1(C)C ZINC000648885971 430926467 /nfs/dbraw/zinc/92/64/67/430926467.db2.gz ZDGIULBWFKFMIZ-LSDHHAIUSA-N 2 0 320.481 2.633 20 0 DFADRP CC(C)[NH2+][C@H]1CCCN(C(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC000648907500 430932407 /nfs/dbraw/zinc/93/24/07/430932407.db2.gz BEFOLZSYAFWRKP-FUHWJXTLSA-N 2 0 321.509 2.773 20 0 DFADRP CC(C)[NH+]1CCN(CCC[N@@H+]2CCC[C@H](C3CCC3)C2)CC1 ZINC000662041516 430935049 /nfs/dbraw/zinc/93/50/49/430935049.db2.gz BRMBIWARYDGDDG-IBGZPJMESA-N 2 0 307.526 2.915 20 0 DFADRP CC(C)CC1([NH2+]CC(=O)NC[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC000662072368 430947975 /nfs/dbraw/zinc/94/79/75/430947975.db2.gz RCVXWDBXRLFLID-QGZVFWFLSA-N 2 0 317.477 2.574 20 0 DFADRP C[C@@H](CN1CCC([N@@H+]2CC[C@H](O)C2)CC1)c1cccc(Cl)c1 ZINC000662151258 430979972 /nfs/dbraw/zinc/97/99/72/430979972.db2.gz HBXBQQUQBIAEIB-KSSFIOAISA-N 2 0 322.880 2.975 20 0 DFADRP C[C@@H](c1ccccc1Cl)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000662154420 430981487 /nfs/dbraw/zinc/98/14/87/430981487.db2.gz FDJLJRKHRXQGRD-DZGCQCFKSA-N 2 0 308.853 2.932 20 0 DFADRP CC[C@@H](c1ccc(F)cc1F)N1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000662152508 430981750 /nfs/dbraw/zinc/98/17/50/430981750.db2.gz GQUTXIHYGGUQOT-YJBOKZPZSA-N 2 0 324.415 2.947 20 0 DFADRP C[NH+](C)CCOCC[NH2+][C@@H](c1cccnc1)C1CCCCC1 ZINC000652193093 430983248 /nfs/dbraw/zinc/98/32/48/430983248.db2.gz VTUWIRKBYWOVIM-GOSISDBHSA-N 2 0 305.466 2.871 20 0 DFADRP CCCN(C(=O)C[C@@H](c1ccccc1)[NH+](C)C)[C@@H]1CC[N@H+](C)C1 ZINC000648996656 430962949 /nfs/dbraw/zinc/96/29/49/430962949.db2.gz XLRDWZBSOCKJRE-MSOLQXFVSA-N 2 0 317.477 2.622 20 0 DFADRP Cc1ccc(C[C@H]2CCC[N@@H+]2C[C@H]2CCC3(C[NH2+]C3)O2)cc1 ZINC000662257923 431019545 /nfs/dbraw/zinc/01/95/45/431019545.db2.gz RILADUXQLAKZOA-QZTJIDSGSA-N 2 0 300.446 2.523 20 0 DFADRP Cc1nccn1C[C@H]1CCC[N@@H+]1Cc1cccc2c1CC[NH2+]C2 ZINC000662262285 431021649 /nfs/dbraw/zinc/02/16/49/431021649.db2.gz DZKKQXJBDJDVIW-GOSISDBHSA-N 2 0 310.445 2.502 20 0 DFADRP COc1ccc(-c2cc(C[N@@H+]3CC[C@H]([C@H](C)[NH3+])C3)on2)cc1 ZINC000662267251 431023879 /nfs/dbraw/zinc/02/38/79/431023879.db2.gz TUTRMEXGTFXAOJ-JSGCOSHPSA-N 2 0 301.390 2.519 20 0 DFADRP Cc1ncsc1C[N@H+](C[C@@H]1CC[NH2+]C1)C[C@@H]1C[C@H]2C[C@H]2C1 ZINC000662267155 431024474 /nfs/dbraw/zinc/02/44/74/431024474.db2.gz BXURWICPMOBSNM-LVQVYYBASA-N 2 0 305.491 2.909 20 0 DFADRP C[NH2+]C[C@@](C)(O)C[NH2+][C@@H](c1cccc(C(F)(F)F)c1)C1CC1 ZINC000652341537 431025141 /nfs/dbraw/zinc/02/51/41/431025141.db2.gz XFFANAOSSSRMQZ-HUUCEWRRSA-N 2 0 316.367 2.717 20 0 DFADRP c1ccc([C@@H]2CC[C@@H](C[NH+]3CCN([C@@H]4CC[NH2+]C4)CC3)C2)cc1 ZINC000662272360 431026743 /nfs/dbraw/zinc/02/67/43/431026743.db2.gz FGUPEFQMCRUJKM-MISYRCLQSA-N 2 0 313.489 2.550 20 0 DFADRP [NH3+][C@@H]1CCO[C@H]([C@H]2CCC[N@H+](CCCCC(F)(F)F)C2)C1 ZINC000652350269 431027097 /nfs/dbraw/zinc/02/70/97/431027097.db2.gz OQZTUGMZHNMKLX-MJBXVCDLSA-N 2 0 308.388 2.937 20 0 DFADRP CC(C)C[C@H](C[NH3+])CC(=O)NCCCC[NH+]1CCC(C)CC1 ZINC000662389077 431069375 /nfs/dbraw/zinc/06/93/75/431069375.db2.gz SPJALKKOTXYMHH-KRWDZBQOSA-N 2 0 311.514 2.626 20 0 DFADRP [NH3+][C@@H]1CCO[C@H]([C@H]2CCC[N@H+](CCCCC3CCOCC3)C2)C1 ZINC000652350081 431027619 /nfs/dbraw/zinc/02/76/19/431027619.db2.gz FHGRUKWRBASKNI-OTWHNJEPSA-N 2 0 324.509 2.802 20 0 DFADRP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCC[N@H+](CCCCC(F)(F)F)C2)C1 ZINC000652350267 431028006 /nfs/dbraw/zinc/02/80/06/431028006.db2.gz OQZTUGMZHNMKLX-MCIONIFRSA-N 2 0 308.388 2.937 20 0 DFADRP [NH3+]C[C@H]1C[N@H+](CC[C@H]2CCc3ccccc32)CC12CCOCC2 ZINC000662272642 431028547 /nfs/dbraw/zinc/02/85/47/431028547.db2.gz GNLQVJLCDDHAIB-MSOLQXFVSA-N 2 0 314.473 2.794 20 0 DFADRP C[C@@H]1CCC[N@H+](CCc2nc(-c3ccccc3)no2)[C@H]1CC[NH3+] ZINC000652355199 431029550 /nfs/dbraw/zinc/02/95/50/431029550.db2.gz QUCIVOOZCCGHCZ-ZBFHGGJFSA-N 2 0 314.433 2.728 20 0 DFADRP Fc1ccc(OC(F)F)c(C[N@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)c1 ZINC000662274773 431029699 /nfs/dbraw/zinc/02/96/99/431029699.db2.gz WYOPNRNNZWTANV-TXEJJXNPSA-N 2 0 314.351 2.859 20 0 DFADRP c1ccc(C[C@@H]2C[N@H+](Cc3cccc4c3CC[NH2+]C4)CCO2)cc1 ZINC000662277145 431030664 /nfs/dbraw/zinc/03/06/64/431030664.db2.gz OOTRCLWNWWSSID-HXUWFJFHSA-N 2 0 322.452 2.776 20 0 DFADRP Cc1ccc(C)c([C@@H]2CCC[N@@H+]2C[C@H]2CCC3(C[NH2+]C3)O2)c1 ZINC000662277066 431030912 /nfs/dbraw/zinc/03/09/12/431030912.db2.gz DBBGCMSOVIKQJM-AEFFLSMTSA-N 2 0 300.446 2.961 20 0 DFADRP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCC[N@@H+]2CCCCC2CCOCC2)C1 ZINC000652363535 431032123 /nfs/dbraw/zinc/03/21/23/431032123.db2.gz HEWXYDHXTYJBSZ-CEXWTWQISA-N 2 0 324.509 2.944 20 0 DFADRP Cc1ccc(C[N@@H+]2CCCC[C@@H]2[C@H]2C[C@H]([NH3+])CCO2)c(C)n1 ZINC000652364146 431032570 /nfs/dbraw/zinc/03/25/70/431032570.db2.gz ZLZVKNQIUIXLLL-KZNAEPCWSA-N 2 0 303.450 2.559 20 0 DFADRP FC(F)(F)[C@H]1CC[N@H+](C[C@@H]2CCC3(C[NH2+]C3)O2)CC12CCC2 ZINC000662280829 431032893 /nfs/dbraw/zinc/03/28/93/431032893.db2.gz GCHXACWCUHRCHL-STQMWFEESA-N 2 0 318.383 2.562 20 0 DFADRP COc1ccc(-c2cc(C[NH+]3CCC(CC[NH3+])CC3)on2)cc1 ZINC000662283899 431032971 /nfs/dbraw/zinc/03/29/71/431032971.db2.gz LCIPJIMQODMZAT-UHFFFAOYSA-N 2 0 315.417 2.911 20 0 DFADRP c1c2c(oc1-c1ccccc1)CC[N@@H+](C[C@@H]1CCC3(C[NH2+]C3)O1)C2 ZINC000662287280 431035165 /nfs/dbraw/zinc/03/51/65/431035165.db2.gz XPUWENLHIJBJTQ-KRWDZBQOSA-N 2 0 324.424 2.826 20 0 DFADRP Cc1cccc(NC(=O)C[NH+]2CCC([C@@H]3CCC[NH2+]C3)CC2)c1 ZINC000662289996 431035485 /nfs/dbraw/zinc/03/54/85/431035485.db2.gz CYCWQOUYIJJYLR-QGZVFWFLSA-N 2 0 315.461 2.645 20 0 DFADRP CC(C)C[C@@H](C)N(C)C(=O)C[NH+]1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000662290997 431035856 /nfs/dbraw/zinc/03/58/56/431035856.db2.gz AZKZOQAJOYNIOB-AEFFLSMTSA-N 2 0 323.525 2.591 20 0 DFADRP CC[C@@H]([NH2+]C)C(=O)NCc1ccccc1C[N@@H+]1CCC[C@H](C)C1 ZINC000662388548 431069552 /nfs/dbraw/zinc/06/95/52/431069552.db2.gz OHTPHZVUMXQGDM-MAUKXSAKSA-N 2 0 317.477 2.533 20 0 DFADRP CO[C@H](C[N@@H+]1CCCC[C@@H]1[C@@H]1C[C@H]([NH3+])CCO1)C1CCCCC1 ZINC000662285074 431036162 /nfs/dbraw/zinc/03/61/62/431036162.db2.gz WEMNTHOCXBOAEQ-AKHDSKFASA-N 2 0 324.509 2.943 20 0 DFADRP Cc1cccc(C)c1[C@H]1CCC[N@@H+]1C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662294886 431036295 /nfs/dbraw/zinc/03/62/95/431036295.db2.gz GJZVCWAKAODJHR-DLBZAZTESA-N 2 0 300.446 2.961 20 0 DFADRP CC(C)CCc1noc(C[N@@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)n1 ZINC000662295161 431038370 /nfs/dbraw/zinc/03/83/70/431038370.db2.gz FPHXCVWUAXQAOZ-MRXNPFEDSA-N 2 0 320.481 2.870 20 0 DFADRP C[C@@H](C(=O)NC1CCCCC1)[N@@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662298029 431039002 /nfs/dbraw/zinc/03/90/02/431039002.db2.gz UEGVHVHOXPJIOL-DOTOQJQBSA-N 2 0 321.509 2.535 20 0 DFADRP CC(=O)Nc1cccc(C[N@H+]2CCC[C@@H](C)[C@H]2CCC[NH3+])c1 ZINC000662316466 431043513 /nfs/dbraw/zinc/04/35/13/431043513.db2.gz WQTNSZJLFKIODV-RDTXWAMCSA-N 2 0 303.450 2.984 20 0 DFADRP CC[C@@H]1CCCCN1C(=O)C[N@@H+]1CCC[C@@H](C)[C@H]1CCC[NH3+] ZINC000662313337 431043675 /nfs/dbraw/zinc/04/36/75/431043675.db2.gz KMJLDNFBCUDSIG-BRWVUGGUSA-N 2 0 309.498 2.617 20 0 DFADRP CCc1ccc2[nH+]ccc(N3CC[NH+](C(C)(C)CO)CC3)c2c1 ZINC000649277918 431054649 /nfs/dbraw/zinc/05/46/49/431054649.db2.gz KYCCLSCMRTUIGL-UHFFFAOYSA-N 2 0 313.445 2.690 20 0 DFADRP CC[NH+](CC)[C@H](CNC(=O)[C@H]1CCC[C@H]1C[NH3+])c1ccsc1 ZINC000649292670 431058588 /nfs/dbraw/zinc/05/85/88/431058588.db2.gz YHZLOAORWGFAJJ-CWRNSKLLSA-N 2 0 323.506 2.622 20 0 DFADRP CC[NH+](CC)Cc1cccc(CNC(=O)CCC(C)(C)[NH3+])c1 ZINC000649290058 431058615 /nfs/dbraw/zinc/05/86/15/431058615.db2.gz SBRZCSMWVFJVTQ-UHFFFAOYSA-N 2 0 305.466 2.662 20 0 DFADRP CC(C)C[NH+]1CCC(NC(=O)[C@@H]([NH3+])c2cccc(Cl)c2)CC1 ZINC000649284472 431058624 /nfs/dbraw/zinc/05/86/24/431058624.db2.gz AJJZKTAVKXNVKO-INIZCTEOSA-N 2 0 323.868 2.576 20 0 DFADRP CC(C)[N@H+](C)Cc1cccc(CNC(=O)[C@@H]2CCC[C@H]2C[NH3+])c1 ZINC000649306650 431062950 /nfs/dbraw/zinc/06/29/50/431062950.db2.gz FORJAQQDUYEFIF-ZWKOTPCHSA-N 2 0 317.477 2.518 20 0 DFADRP C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)CCC(C)(C)[NH3+])C1 ZINC000649311337 431063488 /nfs/dbraw/zinc/06/34/88/431063488.db2.gz IWMCCJDODVHXBF-HOTGVXAUSA-N 2 0 309.498 2.617 20 0 DFADRP CC(C)([NH3+])CCC(=O)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000649320241 431067980 /nfs/dbraw/zinc/06/79/80/431067980.db2.gz QXXHYAUIEOVLGE-MRXNPFEDSA-N 2 0 309.498 2.619 20 0 DFADRP C[N@H+](Cc1ccc2c(c1)OCCO2)Cc1cccc2c1CC[NH2+]C2 ZINC000662248521 431013015 /nfs/dbraw/zinc/01/30/15/431013015.db2.gz FANJEVLIKKUISH-UHFFFAOYSA-N 2 0 324.424 2.736 20 0 DFADRP C[N@H+](CCOc1ccc(F)cc1)Cc1cccc2c1CC[NH2+]C2 ZINC000662248952 431013641 /nfs/dbraw/zinc/01/36/41/431013641.db2.gz MKUSVWZPTDQLOG-UHFFFAOYSA-N 2 0 314.404 2.982 20 0 DFADRP COc1cc(C[N@H+](C)Cc2cccc3c2CC[NH2+]C3)ccc1O ZINC000662248510 431013706 /nfs/dbraw/zinc/01/37/06/431013706.db2.gz DLORGRKDMHRREX-UHFFFAOYSA-N 2 0 312.413 2.679 20 0 DFADRP C[C@@H]1SCC[N@H+](C[C@H]2CCC3(C[NH2+]C3)O2)[C@@H]1c1ccccc1 ZINC000662254976 431015161 /nfs/dbraw/zinc/01/51/61/431015161.db2.gz NDDBVYOZPUSBGL-UAGQMJEPSA-N 2 0 318.486 2.686 20 0 DFADRP Cc1ccc(C[C@H]2CCC[N@H+](C[C@@H]3CCC4(C[NH2+]C4)O3)C2)cc1 ZINC000662256147 431015254 /nfs/dbraw/zinc/01/52/54/431015254.db2.gz HDZAXVIJGNBRJS-MOPGFXCFSA-N 2 0 314.473 2.771 20 0 DFADRP C[C@H](C1CC1)[N@@H+](Cc1ccccc1)C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662249926 431015396 /nfs/dbraw/zinc/01/53/96/431015396.db2.gz VLICTKVZKJHBQI-QAPCUYQASA-N 2 0 300.446 2.808 20 0 DFADRP c1cc(C[N@@H+]2CCCC3(CCOCC3)C2)c2c(c1)C[NH2+]CC2 ZINC000662254722 431015463 /nfs/dbraw/zinc/01/54/63/431015463.db2.gz KEIBRUCPQBEYFL-UHFFFAOYSA-N 2 0 300.446 2.725 20 0 DFADRP CC[C@H](C(=O)N[C@H](C[NH+]1CCCCC1)c1ccccc1)[NH+](C)C ZINC000665724478 431015797 /nfs/dbraw/zinc/01/57/97/431015797.db2.gz CIPFWJQWTQRYPB-QZTJIDSGSA-N 2 0 317.477 2.670 20 0 DFADRP Cc1ccccc1[C@@H]1C[C@H](C)[N@@H+](C[C@@H]2CCC3(C[NH2+]C3)O2)C1 ZINC000662258041 431017704 /nfs/dbraw/zinc/01/77/04/431017704.db2.gz WHKYVLRIFQGJJM-BBWFWOEESA-N 2 0 300.446 2.694 20 0 DFADRP CC(C)(C)[N@@H+]1CC[C@@H](CNC(=O)CC2(C[NH3+])CCCCC2)C1 ZINC000662592321 431126246 /nfs/dbraw/zinc/12/62/46/431126246.db2.gz IXOPMAYMTUEEJZ-HNNXBMFYSA-N 2 0 309.498 2.522 20 0 DFADRP O[C@H](C[NH2+][C@H]1CCc2cccc(Cl)c2C1)C[NH+]1CCCCC1 ZINC000666085006 431112237 /nfs/dbraw/zinc/11/22/37/431112237.db2.gz PYGWVCYVCBLECH-JKSUJKDBSA-N 2 0 322.880 2.634 20 0 DFADRP Cc1cncc(CC[NH+]2CCC(C[NH+]3CCCCCC3)CC2)n1 ZINC000649486395 431117637 /nfs/dbraw/zinc/11/76/37/431117637.db2.gz KQEIKPXTASCJPS-UHFFFAOYSA-N 2 0 316.493 2.916 20 0 DFADRP C[C@@H]([NH3+])c1ccc(C(=O)N2CCC([C@@H]3CCC[NH2+]C3)CC2)cc1 ZINC000662588159 431124575 /nfs/dbraw/zinc/12/45/75/431124575.db2.gz RBMUTDNSWHAKGI-RDTXWAMCSA-N 2 0 315.461 2.558 20 0 DFADRP CC(C)[NH2+]CC(=O)NC[C@H](c1ccccc1)[NH+]1CCC(C)CC1 ZINC000662401383 431070947 /nfs/dbraw/zinc/07/09/47/431070947.db2.gz SZYVYSVXDBGSTN-GOSISDBHSA-N 2 0 317.477 2.574 20 0 DFADRP CC[C@@H]([NH2+]C)C(=O)NC[C@@H](c1ccccc1)[NH+]1CCC(C)CC1 ZINC000662401654 431071798 /nfs/dbraw/zinc/07/17/98/431071798.db2.gz ZBVWTPGQXXRHNY-MSOLQXFVSA-N 2 0 317.477 2.574 20 0 DFADRP CC(C)c1ccc([C@@H]([NH3+])CNC(=O)c2cccc3c2C[NH2+]C3)cc1 ZINC000662410130 431073919 /nfs/dbraw/zinc/07/39/19/431073919.db2.gz HENGJGVGMBKIMD-IBGZPJMESA-N 2 0 323.440 2.843 20 0 DFADRP Cc1cccc(NC[C@H]2CC[N@H+](CCC[C@H]3CCOC3)C2)n1 ZINC000645807026 431076954 /nfs/dbraw/zinc/07/69/54/431076954.db2.gz TXKSAWLGJRBTCB-DLBZAZTESA-N 2 0 303.450 2.941 20 0 DFADRP COc1cncc(/C=C/CC[NH+]2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000645814625 431080709 /nfs/dbraw/zinc/08/07/09/431080709.db2.gz CQKWMZBWWAIGFX-DUXPYHPUSA-N 2 0 324.428 2.711 20 0 DFADRP CCC[NH+](CCC)CCCNC(=O)c1cccc2c1C[NH2+]C2 ZINC000662442040 431081278 /nfs/dbraw/zinc/08/12/78/431081278.db2.gz IEWKTUFHZMHHJK-UHFFFAOYSA-N 2 0 303.450 2.532 20 0 DFADRP C[C@H]([NH3+])c1ccc(C(=O)N2CCC([C@H]3CCC[NH2+]C3)CC2)cc1 ZINC000662588158 431125486 /nfs/dbraw/zinc/12/54/86/431125486.db2.gz RBMUTDNSWHAKGI-KSSFIOAISA-N 2 0 315.461 2.558 20 0 DFADRP COc1ccccc1[C@H](C)[NH2+]C1CCN([C@@H]2CCOC2)CC1 ZINC000655693323 431085055 /nfs/dbraw/zinc/08/50/55/431085055.db2.gz XGOXFTZKWGVNCD-GOEBONIOSA-N 2 0 304.434 2.599 20 0 DFADRP COc1ccc(F)cc1[C@@H](C)[NH2+]C1CCN([C@H]2CCOC2)CC1 ZINC000655694641 431085594 /nfs/dbraw/zinc/08/55/94/431085594.db2.gz IUBDBPXBSIBFTE-CJNGLKHVSA-N 2 0 322.424 2.738 20 0 DFADRP CCCN(CC[NH+]1CCCCCC1)C(=O)NCC1([NH3+])CCCC1 ZINC000659577049 431092004 /nfs/dbraw/zinc/09/20/04/431092004.db2.gz HUNUXCCUISSSCY-UHFFFAOYSA-N 2 0 324.513 2.556 20 0 DFADRP Cc1nn(C)c(C)c1[C@@H]1CCC[N@@H+]1CCCC1CC[NH2+]CC1 ZINC000649413040 431093431 /nfs/dbraw/zinc/09/34/31/431093431.db2.gz JDRWTNMXYFBBHY-KRWDZBQOSA-N 2 0 304.482 2.954 20 0 DFADRP CC1CC[NH+](CCCC[NH2+]Cc2cc3n(n2)CCCC3)CC1 ZINC000655712697 431094237 /nfs/dbraw/zinc/09/42/37/431094237.db2.gz PIQALVFIBRLMIA-UHFFFAOYSA-N 2 0 304.482 2.821 20 0 DFADRP CC(C)(C)c1csc(CNC2CC[NH+]([C@@H]3CCOC3)CC2)n1 ZINC000655712690 431094336 /nfs/dbraw/zinc/09/43/36/431094336.db2.gz PFAWMIGOONXXMY-CQSZACIVSA-N 2 0 323.506 2.784 20 0 DFADRP CCN1C[C@@H](C[N@H+](C)CCC2CC[NH2+]CC2)Oc2ccccc21 ZINC000649411342 431094437 /nfs/dbraw/zinc/09/44/37/431094437.db2.gz KHGPHMZDWRCQIG-QGZVFWFLSA-N 2 0 317.477 2.595 20 0 DFADRP CCC[N@H+](CC)CCNC(=O)c1ccc2c(c1)[C@H](C[NH3+])CCC2 ZINC000662486587 431095220 /nfs/dbraw/zinc/09/52/20/431095220.db2.gz MPVKIOORIWDJQQ-KRWDZBQOSA-N 2 0 317.477 2.527 20 0 DFADRP C[C@@H](c1cccnc1)N1CC[NH+](CCCC2CC[NH2+]CC2)CC1 ZINC000649414593 431096565 /nfs/dbraw/zinc/09/65/65/431096565.db2.gz KFVKXVZHOUCLQV-KRWDZBQOSA-N 2 0 316.493 2.540 20 0 DFADRP Cc1cc2c(c(C)c1)[C@H]([NH2+]C[C@H](C)N1CC[NH+](C)CC1)CC2 ZINC000655716934 431096932 /nfs/dbraw/zinc/09/69/32/431096932.db2.gz QLDVNWFIHDIZGO-FUHWJXTLSA-N 2 0 301.478 2.516 20 0 DFADRP [NH3+]CC1(CC(=O)N2CCC[C@@H](C3CC[NH2+]CC3)C2)CCCCC1 ZINC000662593146 431125878 /nfs/dbraw/zinc/12/58/78/431125878.db2.gz JSJIWJRSAHJYIC-QGZVFWFLSA-N 2 0 321.509 2.524 20 0 DFADRP C[C@@H]1C[C@H]([NH2+]C2CCN(CC[NH+](C)C)CC2)c2ccccc21 ZINC000289301310 278986993 /nfs/dbraw/zinc/98/69/93/278986993.db2.gz SEDZQZFCDHXOCE-BEFAXECRSA-N 2 0 301.478 2.851 20 0 DFADRP CC[C@H](NC1CC[NH+](C[C@@H]2CCCO2)CC1)c1nccs1 ZINC000655725911 431101143 /nfs/dbraw/zinc/10/11/43/431101143.db2.gz NLQLDVSNJABIEM-GJZGRUSLSA-N 2 0 309.479 2.827 20 0 DFADRP CC(C)N1CCCC[C@@H]1C[N@H+](C)C[C@H]1CCn2ccnc2C1 ZINC000649501353 431127260 /nfs/dbraw/zinc/12/72/60/431127260.db2.gz HHBQOTZUBCEEFS-DLBZAZTESA-N 2 0 304.482 2.640 20 0 DFADRP Cc1nc(C)c([C@@H](C)[NH2+]CCCC[N@@H+]2CCC[C@@H]2CO)s1 ZINC000178070632 279079186 /nfs/dbraw/zinc/07/91/86/279079186.db2.gz ZYFHLIZFJYRLBW-IUODEOHRSA-N 2 0 311.495 2.647 20 0 DFADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+][C@@H]1CCOC2(CCSCC2)C1 ZINC000358289677 288107297 /nfs/dbraw/zinc/10/72/97/288107297.db2.gz DCEIKWDMZTYNDU-KLHDSHLOSA-N 2 0 312.523 2.750 20 0 DFADRP CC[NH+](CC)[C@@H](C(=O)N(C)[C@@H]1CCC[N@H+](C)C1)c1ccccc1 ZINC000357401503 279140586 /nfs/dbraw/zinc/14/05/86/279140586.db2.gz PTIOYLIDUXGGJZ-QZTJIDSGSA-N 2 0 317.477 2.622 20 0 DFADRP CC(C)C[C@H]([NH2+]CCN1CC[N@H+](C)C(C)(C)C1)c1ccccn1 ZINC000282328244 279192752 /nfs/dbraw/zinc/19/27/52/279192752.db2.gz OAHLHVKHSDOYAY-SFHVURJKSA-N 2 0 318.509 2.784 20 0 DFADRP C[C@H](CC(=O)Nc1ccc(F)cc1)[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000363918570 279247120 /nfs/dbraw/zinc/24/71/20/279247120.db2.gz CZJIQDQEQHCVKD-COXVUDFISA-N 2 0 319.424 2.759 20 0 DFADRP C[C@H](CC[NH+](C)C)[NH2+]C1CCC2(CC1)c1ccccc1NC2=O ZINC000268975207 279258159 /nfs/dbraw/zinc/25/81/59/279258159.db2.gz GTRJBBBWMLHZTL-TZGCNFNXSA-N 2 0 315.461 2.749 20 0 DFADRP C[C@H](C[NH2+][C@H]1CCCCc2ccccc21)N1CC[NH+](C)CC1 ZINC000127702981 279352262 /nfs/dbraw/zinc/35/22/62/279352262.db2.gz RLGCJFBCQMHQIJ-APWZRJJASA-N 2 0 301.478 2.680 20 0 DFADRP CC(C)[N@@H+](C)C[C@@H](C)NC1CC[NH+](CCC(F)(F)F)CC1 ZINC000353576221 279371569 /nfs/dbraw/zinc/37/15/69/279371569.db2.gz MZIBPFIUFZSWFM-CYBMUJFWSA-N 2 0 309.420 2.722 20 0 DFADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)C2([NH2+]C3CC3)CCC2)C1 ZINC000662683415 431162943 /nfs/dbraw/zinc/16/29/43/431162943.db2.gz NTFZSPDBUODYPP-IYBDPMFKSA-N 2 0 321.509 2.535 20 0 DFADRP CC(C)[N@H+](C)C[C@@H](O)C[NH+]1CCC[C@H](Cc2ccccc2)C1 ZINC000659902776 431181358 /nfs/dbraw/zinc/18/13/58/431181358.db2.gz BUUHOWTXCMHLPN-RTBURBONSA-N 2 0 304.478 2.642 20 0 DFADRP CC[N@@H+]1CC[C@H](N(C)C(=O)C[C@@H]2[NH2+]Cc3ccccc32)C[C@@H]1C ZINC000662743834 431182223 /nfs/dbraw/zinc/18/22/23/431182223.db2.gz VMBYEZPQHHFKEV-ZVZYQTTQSA-N 2 0 315.461 2.552 20 0 DFADRP C[C@H](Cc1ccccn1)[NH2+]Cc1ccc(OCC[NH+](C)C)cc1 ZINC000655844783 431184177 /nfs/dbraw/zinc/18/41/77/431184177.db2.gz XBBZJSTWDLBHQB-MRXNPFEDSA-N 2 0 313.445 2.743 20 0 DFADRP CO[C@H](C[NH+]1CCC(OCC[NH+](C)C)CC1)C1CCCCC1 ZINC000659919461 431187544 /nfs/dbraw/zinc/18/75/44/431187544.db2.gz HSSPWBLJMAXSQQ-GOSISDBHSA-N 2 0 312.498 2.624 20 0 DFADRP C[NH+]1CCC2(CC1)C[N@H+](C[C@@H]1CCc3ccccc3C1)CCO2 ZINC000646105738 431187580 /nfs/dbraw/zinc/18/75/80/431187580.db2.gz GAJQBUCRTYMVAB-QGZVFWFLSA-N 2 0 314.473 2.588 20 0 DFADRP CO[C@H](C[N@@H+]1CCC[C@H](C[NH+]2CCCC[C@@H]2C)C1)[C@H]1CCOC1 ZINC000659928708 431192254 /nfs/dbraw/zinc/19/22/54/431192254.db2.gz LQMJBNKHUGAXMK-CADBVGFASA-N 2 0 324.509 2.624 20 0 DFADRP CCC[N@H+](CCc1cccc(F)c1)C[C@@H](O)C[NH+](C)C(C)C ZINC000659926877 431193081 /nfs/dbraw/zinc/19/30/81/431193081.db2.gz HBKSCBYEWHZGJY-SFHVURJKSA-N 2 0 310.457 2.781 20 0 DFADRP C[C@@H]1CC[C@@H](C)[NH+]1[C@@H]1CCCN(C(=O)C2([NH3+])CC3(CCC3)C2)C1 ZINC000662788609 431194435 /nfs/dbraw/zinc/19/44/35/431194435.db2.gz PDBBXZINXNPYAW-BZUAXINKSA-N 2 0 319.493 2.512 20 0 DFADRP CC1CC[NH+](CCc2cccc(NC(=O)CC3([NH3+])CC3)c2)CC1 ZINC000662803145 431198689 /nfs/dbraw/zinc/19/86/89/431198689.db2.gz WEMVVZFAJGSQGO-UHFFFAOYSA-N 2 0 315.461 2.781 20 0 DFADRP Cc1cccc(NC[C@H]2CC[N@H+](CCO[C@H]3CC3(F)F)C2)[nH+]1 ZINC000659944029 431200846 /nfs/dbraw/zinc/20/08/46/431200846.db2.gz PLYUACHRXMAZDA-KGLIPLIRSA-N 2 0 311.376 2.548 20 0 DFADRP CC[N@H+](Cc1ccc(C(=O)NCC2([NH3+])CCCC2)cc1)C(C)C ZINC000662652964 431150916 /nfs/dbraw/zinc/15/09/16/431150916.db2.gz PUKKHKTWWXNNFP-UHFFFAOYSA-N 2 0 317.477 2.918 20 0 DFADRP CCOc1ccc(CN(C[C@@H](O)C[N@H+](C)C(C)C)C(C)C)cc1 ZINC000659859556 431151196 /nfs/dbraw/zinc/15/11/96/431151196.db2.gz JUAFMYOBRZRZLO-SFHVURJKSA-N 2 0 322.493 2.997 20 0 DFADRP Cc1nn(C)c2sc([C@@H](C)[NH2+]C[C@H]3C[C@@H]([NH+](C)C)C3)cc12 ZINC000655803955 431153215 /nfs/dbraw/zinc/15/32/15/431153215.db2.gz JVLWDLXNBXAXQR-UPJWGTAASA-N 2 0 306.479 2.934 20 0 DFADRP CC1CC[NH+]([C@H](CNC(=O)CC2([NH3+])CC2)c2cccs2)CC1 ZINC000662662600 431154263 /nfs/dbraw/zinc/15/42/63/431154263.db2.gz HWWPRZYNMQHEOH-CQSZACIVSA-N 2 0 321.490 2.519 20 0 DFADRP COc1cccc(CN(CC(C)C)C[C@@H](O)C[N@H+](C)C(C)C)c1 ZINC000659860167 431154282 /nfs/dbraw/zinc/15/42/82/431154282.db2.gz WHJVMSULOSKTDI-SFHVURJKSA-N 2 0 322.493 2.854 20 0 DFADRP COCCc1nc(C)c([C@H](C)[NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)s1 ZINC000655804810 431154860 /nfs/dbraw/zinc/15/48/60/431154860.db2.gz CJNXUDLXGFTLES-FPMFFAJLSA-N 2 0 311.495 2.631 20 0 DFADRP CC(C)C[C@H](C[NH3+])CC(=O)N[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000662667459 431156569 /nfs/dbraw/zinc/15/65/69/431156569.db2.gz BCUVXVHRKFJIJA-JKSUJKDBSA-N 2 0 309.498 2.521 20 0 DFADRP COc1cc(F)c([C@H](C)[NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)cc1OC ZINC000655806306 431156921 /nfs/dbraw/zinc/15/69/21/431156921.db2.gz UTIPHRLGHFVDJW-RWMBFGLXSA-N 2 0 310.413 2.834 20 0 DFADRP C[C@H]([NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1)c1cccc(N2CCOCC2)c1 ZINC000655806198 431157342 /nfs/dbraw/zinc/15/73/42/431157342.db2.gz QYMMYURBFRJKKB-TXPKVOOTSA-N 2 0 317.477 2.514 20 0 DFADRP Cc1c([C@@H](C)[NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)nnn1-c1ccccc1 ZINC000655805542 431158305 /nfs/dbraw/zinc/15/83/05/431158305.db2.gz ITALNEXJXZHHQG-UNEWFSDZSA-N 2 0 313.449 2.567 20 0 DFADRP C[C@H]1C[C@@H](N(C)C(=O)CCCC[NH3+])CC[N@@H+]1Cc1ccccc1 ZINC000646046042 431158700 /nfs/dbraw/zinc/15/87/00/431158700.db2.gz AKZZPWPNDGQBTM-WMZOPIPTSA-N 2 0 317.477 2.627 20 0 DFADRP C[NH+](C)[C@H]1C[C@@H](C[NH2+][C@@H](c2ncc[nH]2)c2ccc(F)cc2)C1 ZINC000655805408 431158881 /nfs/dbraw/zinc/15/88/81/431158881.db2.gz NEPATOYOOAWUSH-UHOFOFEASA-N 2 0 302.397 2.568 20 0 DFADRP C[C@@H]1CN(C[C@@H]2CCC[N@@H+]2C)CC[NH+](Cc2ccccc2)C1 ZINC000649622793 431202261 /nfs/dbraw/zinc/20/22/61/431202261.db2.gz UWYKVESXIKDOEZ-HKUYNNGSSA-N 2 0 301.478 2.535 20 0 DFADRP C[C@@H]1CN(C[C@H]2CCC[N@@H+]2C)CC[NH+](Cc2ccccc2)C1 ZINC000649622796 431202321 /nfs/dbraw/zinc/20/23/21/431202321.db2.gz UWYKVESXIKDOEZ-PKOBYXMFSA-N 2 0 301.478 2.535 20 0 DFADRP Cc1cc(C[NH3+])cc(NC(=O)N[C@H]2CCC[N@@H+]3CCCC[C@H]23)c1 ZINC000655910572 431213281 /nfs/dbraw/zinc/21/32/81/431213281.db2.gz YQRHNRKBJCATPR-DLBZAZTESA-N 2 0 316.449 2.592 20 0 DFADRP [NH3+][C@H](CCC(=O)N[C@H]1CCC[N@@H+]2CCCC[C@H]12)c1ccccc1 ZINC000662839006 431215175 /nfs/dbraw/zinc/21/51/75/431215175.db2.gz OJLLCCNOXGWLJZ-FGTMMUONSA-N 2 0 315.461 2.600 20 0 DFADRP CCc1csc(CC2CC[NH+](C[C@@H]3CCC[NH2+]C3)CC2)n1 ZINC000655945949 431227665 /nfs/dbraw/zinc/22/76/65/431227665.db2.gz IGDPMVBUVIVNQI-OAHLLOKOSA-N 2 0 307.507 2.960 20 0 DFADRP CCCN(C(=O)Nc1cccc(C[NH+](C)C)c1)[C@H]1CC[N@H+](C)C1 ZINC000646213417 431228349 /nfs/dbraw/zinc/22/83/49/431228349.db2.gz QHNATJOFEIXPKT-KRWDZBQOSA-N 2 0 318.465 2.696 20 0 DFADRP C[C@@H]1CCCN(C(=O)c2cccc(C[NH+](C)C)c2)[C@@H]1CCC[NH3+] ZINC000662892702 431230636 /nfs/dbraw/zinc/23/06/36/431230636.db2.gz GXJCDLUSMGIZPG-CRAIPNDOSA-N 2 0 317.477 2.728 20 0 DFADRP C[NH+](C)CCN(Cc1cccc(Cl)c1)C(=O)CC1([NH3+])CCC1 ZINC000646254041 431241114 /nfs/dbraw/zinc/24/11/14/431241114.db2.gz KUWWOSLGXZHCBD-UHFFFAOYSA-N 2 0 323.868 2.502 20 0 DFADRP [NH3+][C@@H]1CCCCCC[C@H]1C(=O)NC[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000663000766 431252943 /nfs/dbraw/zinc/25/29/43/431252943.db2.gz MFUNLKMWUIOKHT-RCCFBDPRSA-N 2 0 321.509 2.522 20 0 DFADRP CO[C@H](C[NH+]1CCC(CCC[NH+]2CCCC2)CC1)[C@@H]1CCOC1 ZINC000660122338 431281153 /nfs/dbraw/zinc/28/11/53/431281153.db2.gz USLFRZNUCLYCSQ-RTBURBONSA-N 2 0 324.509 2.626 20 0 DFADRP C[N@H+](C[C@@H](O)CN1CCCC[C@@H]1Cc1ccccc1F)C1CC1 ZINC000649794132 431294868 /nfs/dbraw/zinc/29/48/68/431294868.db2.gz AVFFGQMPVDRMKW-QZTJIDSGSA-N 2 0 320.452 2.678 20 0 DFADRP C[N@H+](Cc1ccccc1)CC(C)(C)CN[C@H](C[NH3+])C(F)(F)F ZINC000656196413 431303083 /nfs/dbraw/zinc/30/30/83/431303083.db2.gz RYDUBYMJUKHXFH-CQSZACIVSA-N 2 0 317.399 2.624 20 0 DFADRP CCCCC[N@H+](CCNC(=O)C1([NH3+])CCC1)Cc1ccccc1 ZINC000653200816 431307257 /nfs/dbraw/zinc/30/72/57/431307257.db2.gz QYPSITROJFFMGZ-UHFFFAOYSA-N 2 0 317.477 2.676 20 0 DFADRP C[NH2+]Cc1ccccc1CNC(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC000653214301 431315972 /nfs/dbraw/zinc/31/59/72/431315972.db2.gz OWGQNUKBJNXZCZ-GOSISDBHSA-N 2 0 317.477 2.533 20 0 DFADRP CCC[N@H+](CC)Cc1ccc(C(=O)NCCC2(C[NH3+])CC2)cc1 ZINC000653221141 431318289 /nfs/dbraw/zinc/31/82/89/431318289.db2.gz JXFMYNCORRUDBA-UHFFFAOYSA-N 2 0 317.477 2.777 20 0 DFADRP CCC[NH+](CCC)CCCC(=O)N1CCC[C@H](C)[C@H]1CC[NH3+] ZINC000653240982 431329877 /nfs/dbraw/zinc/32/98/77/431329877.db2.gz WFKAMUZYLHQFMX-DLBZAZTESA-N 2 0 311.514 2.865 20 0 DFADRP CC[NH+](CC)Cc1ccc(C(=O)N2CCC[C@H](C)[C@H]2CC[NH3+])o1 ZINC000653240975 431329966 /nfs/dbraw/zinc/32/99/66/431329966.db2.gz WEILCIPUHJYBPY-GOEBONIOSA-N 2 0 321.465 2.711 20 0 DFADRP CC[NH+](CC)Cc1ccc(C(=O)N2CCC[C@H](C)[C@@H]2CC[NH3+])o1 ZINC000653240976 431330446 /nfs/dbraw/zinc/33/04/46/431330446.db2.gz WEILCIPUHJYBPY-HOCLYGCPSA-N 2 0 321.465 2.711 20 0 DFADRP CCC[C@@H]([NH3+])C(=O)Nc1ccc(SCC[NH+]2CCCC2)cc1 ZINC000653252964 431337730 /nfs/dbraw/zinc/33/77/30/431337730.db2.gz APPIGXXUSAVIRG-MRXNPFEDSA-N 2 0 321.490 2.940 20 0 DFADRP CC(C)(C)O[C@H]1C[C@H]([NH2+]C2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000656274836 431349289 /nfs/dbraw/zinc/34/92/89/431349289.db2.gz NPFUTYVOLXGMIY-JCNLHEQBSA-N 2 0 303.450 2.986 20 0 DFADRP CCc1ccccc1NC(=O)C[C@@H](C)NC[C@@H]1CCCC[NH2+]1 ZINC000666770245 431350062 /nfs/dbraw/zinc/35/00/62/431350062.db2.gz QBHYPFJRRZUIQU-ZBFHGGJFSA-N 2 0 303.450 2.698 20 0 DFADRP C[C@@H]([NH2+]Cc1ccc(Oc2cnccn2)cc1)[C@@H]1CCC[NH2+]C1 ZINC000666774245 431352885 /nfs/dbraw/zinc/35/28/85/431352885.db2.gz WCENIAGJUWOQHQ-GDBMZVCRSA-N 2 0 312.417 2.747 20 0 DFADRP Cn1cc(C[NH2+]CC[C@@H]2CC[NH2+]C2)c(-c2cc3ccccc3o2)n1 ZINC000666787301 431358232 /nfs/dbraw/zinc/35/82/32/431358232.db2.gz CSVRRXBDECBBAE-AWEZNQCLSA-N 2 0 324.428 2.923 20 0 DFADRP FC1(F)C[C@@]12CC[NH+](CCC[N@H+]1CC[C@@]3(CC3(F)F)C1)C2 ZINC000649907176 431362341 /nfs/dbraw/zinc/36/23/41/431362341.db2.gz KQOSQEDPMICMGC-CHWSQXEVSA-N 2 0 306.347 2.839 20 0 DFADRP c1cnn(C[C@@H](NC2CC[NH+](C3CC3)CC2)c2ccccc2)c1 ZINC000656502187 431412928 /nfs/dbraw/zinc/41/29/28/431412928.db2.gz IXUOAFGWPLTMKP-LJQANCHMSA-N 2 0 310.445 2.841 20 0 DFADRP COc1cccc(C[NH2+][C@H]2CC23CC[NH2+]CC3)c1OC(F)F ZINC000666950957 431420640 /nfs/dbraw/zinc/42/06/40/431420640.db2.gz SWTSUHWFRUPFCG-ZDUSSCGKSA-N 2 0 312.360 2.528 20 0 DFADRP COCC[C@H](Cc1cccc(F)c1)[NH2+][C@@H]1CC12CC[NH2+]CC2 ZINC000666954101 431422019 /nfs/dbraw/zinc/42/20/19/431422019.db2.gz PWMAMQOMSPHWRN-IAGOWNOFSA-N 2 0 306.425 2.505 20 0 DFADRP Fc1cccc(F)c1-c1n[nH]cc1C[NH2+][C@@H]1CC12CC[NH2+]CC2 ZINC000666952213 431423081 /nfs/dbraw/zinc/42/30/81/431423081.db2.gz KNZPJCCZEQCELY-CQSZACIVSA-N 2 0 318.371 2.587 20 0 DFADRP Cc1ccc(NC(=O)C[C@H](C)[NH2+][C@@H]2CC23CC[NH2+]CC3)c(C)c1 ZINC000666954269 431423247 /nfs/dbraw/zinc/42/32/47/431423247.db2.gz SUGGJLIDAUXMDV-DOTOQJQBSA-N 2 0 315.461 2.752 20 0 DFADRP COc1ccc(-c2nc(CNC[C@H]([NH3+])C3CC3)cs2)cc1 ZINC000666834177 431375345 /nfs/dbraw/zinc/37/53/45/431375345.db2.gz VWRXKTLNYFTNOU-HNNXBMFYSA-N 2 0 303.431 2.646 20 0 DFADRP COc1cc(C[NH2+]C[C@@H]2CCC[N@H+](CC3CC3)C2)cc(OC)c1 ZINC000663347038 431378097 /nfs/dbraw/zinc/37/80/97/431378097.db2.gz GIUIUGBLVKOZGW-INIZCTEOSA-N 2 0 318.461 2.915 20 0 DFADRP CN(C(=O)CC[NH2+]CC(C)(C)C[NH+]1CCCC1)c1ccccc1 ZINC000663361547 431385097 /nfs/dbraw/zinc/38/50/97/431385097.db2.gz NXZJNYRCCPWBSL-UHFFFAOYSA-N 2 0 317.477 2.751 20 0 DFADRP CN(C(=O)CC[NH2+]CC1CC[NH+](C2CC2)CC1)c1ccccc1 ZINC000663361601 431386301 /nfs/dbraw/zinc/38/63/01/431386301.db2.gz PVFIIIKAEPAURG-UHFFFAOYSA-N 2 0 315.461 2.504 20 0 DFADRP C[C@H](CC(=O)Nc1cccc(Cl)c1)[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000666857861 431386360 /nfs/dbraw/zinc/38/63/60/431386360.db2.gz MULBTHSWHHDXPN-TZMCWYRMSA-N 2 0 309.841 2.789 20 0 DFADRP COc1cc(C)c(C[NH2+][C@H]2CC[NH2+]C3(CCC3)C2)cc1OC ZINC000666997082 431437271 /nfs/dbraw/zinc/43/72/71/431437271.db2.gz WFYUZLAQZGDZDO-HNNXBMFYSA-N 2 0 304.434 2.777 20 0 DFADRP CCC[N@H+](CC)Cc1ccc(C(=O)N2CCC(C)([NH3+])CC2)cc1 ZINC000646993032 431438614 /nfs/dbraw/zinc/43/86/14/431438614.db2.gz FCKAEKKGGUSUJO-UHFFFAOYSA-N 2 0 317.477 2.872 20 0 DFADRP COc1ccc(CC[C@H](C)[NH2+][C@H]2CC[NH2+]C3(CCC3)C2)cc1O ZINC000666993778 431438716 /nfs/dbraw/zinc/43/87/16/431438716.db2.gz IXXHSTRRXSKJPM-HOCLYGCPSA-N 2 0 318.461 2.986 20 0 DFADRP CC[C@@H]1CN(C(=O)CC[C@@H]([NH3+])CC2CCCCC2)CC[C@H]1[NH3+] ZINC000647005863 431443880 /nfs/dbraw/zinc/44/38/80/431443880.db2.gz HIDZJCPSIVLBGM-BRWVUGGUSA-N 2 0 309.498 2.650 20 0 DFADRP C[NH2+]CCCC(=O)N1CCC([NH2+][C@@H]2CCC[C@H](C3CC3)C2)CC1 ZINC000663506119 431449235 /nfs/dbraw/zinc/44/92/35/431449235.db2.gz QCGCADBTNHDMOS-FUHWJXTLSA-N 2 0 321.509 2.535 20 0 DFADRP C[C@@H]1C[N@H+](CCC(C)(C)C2CC2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000653594329 431451718 /nfs/dbraw/zinc/45/17/18/431451718.db2.gz MRARASAGNZFSGK-SJLPKXTDSA-N 2 0 307.526 2.771 20 0 DFADRP Cc1cc(C(F)(F)F)cc(NCCN2CCOC[C@H]2C)n1 ZINC000663547287 431462651 /nfs/dbraw/zinc/46/26/51/431462651.db2.gz NOHICTBZLNJURX-LLVKDONJSA-N 2 0 303.328 2.541 20 0 DFADRP FCCOCC[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000663463283 431427877 /nfs/dbraw/zinc/42/78/77/431427877.db2.gz ZDCLKNHOVDOBIA-NNZMDNLPSA-N 2 0 306.425 2.758 20 0 DFADRP c1cc2cnccc2c(C[NH2+]C2CCC([NH+]3CCNCC3)CC2)c1 ZINC000666978483 431431166 /nfs/dbraw/zinc/43/11/66/431431166.db2.gz GJNKIXDHVFDLPT-UHFFFAOYSA-N 2 0 324.472 2.541 20 0 DFADRP COc1cccc(C[C@@H](C)[NH2+]C[C@H]2CCC[N@H+](CC3CC3)C2)n1 ZINC000663468773 431434652 /nfs/dbraw/zinc/43/46/52/431434652.db2.gz MRWNXFAIERBOCK-NVXWUHKLSA-N 2 0 317.477 2.733 20 0 DFADRP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](CCCc2cncn2C)C1 ZINC000653556726 431434970 /nfs/dbraw/zinc/43/49/70/431434970.db2.gz FVYUIDIYCPLMCO-MSOLQXFVSA-N 2 0 318.509 2.939 20 0 DFADRP COCC1(C)C[NH+](Cc2ccc(OCC[NH+]3CCCC3)cc2)C1 ZINC000656779500 431518391 /nfs/dbraw/zinc/51/83/91/431518391.db2.gz KSZUKGGQJQAIRF-UHFFFAOYSA-N 2 0 318.461 2.630 20 0 DFADRP Cn1cnc(C[N@@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)c1 ZINC000660622958 431520321 /nfs/dbraw/zinc/52/03/21/431520321.db2.gz JSBRQOAYXUUIHC-UHFFFAOYSA-N 2 0 324.472 2.908 20 0 DFADRP Cn1cc(C[N@@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)c(C(C)(C)C)n1 ZINC000656784141 431520436 /nfs/dbraw/zinc/52/04/36/431520436.db2.gz YXMSLGZMVXSAJK-MRXNPFEDSA-N 2 0 318.509 2.929 20 0 DFADRP c1cc(C[N@@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)c2c(c1)OCCO2 ZINC000656786401 431521628 /nfs/dbraw/zinc/52/16/28/431521628.db2.gz SDJOZHLTXQMEEF-MRXNPFEDSA-N 2 0 316.445 2.669 20 0 DFADRP CN(C)c1ccccc1C[NH+]1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000656786695 431522734 /nfs/dbraw/zinc/52/27/34/431522734.db2.gz WMCPWLYQAPPPLH-KRWDZBQOSA-N 2 0 301.478 2.964 20 0 DFADRP COc1cc(C[NH+]2CCC([C@@H]3CCC[NH2+]C3)CC2)cc(OC)c1 ZINC000656785153 431523506 /nfs/dbraw/zinc/52/35/06/431523506.db2.gz JQMDBPQDPWDZKP-QGZVFWFLSA-N 2 0 318.461 2.915 20 0 DFADRP [NH3+]C1(CNC2CC[NH+](CCc3ccc(F)cc3)CC2)CCCC1 ZINC000656789751 431526697 /nfs/dbraw/zinc/52/66/97/431526697.db2.gz XAZNOAYLGCIPOQ-UHFFFAOYSA-N 2 0 319.468 2.694 20 0 DFADRP C[N@@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccc(-n3cccn3)cc1)C2 ZINC000660651873 431530922 /nfs/dbraw/zinc/53/09/22/431530922.db2.gz DMMNKMPMLGFMKS-IBGZPJMESA-N 2 0 310.445 2.790 20 0 DFADRP CC[C@@H]([NH2+]CC(=O)NC1CC[NH+](C(C)C)CC1)C1CCCCC1 ZINC000663667505 431491146 /nfs/dbraw/zinc/49/11/46/431491146.db2.gz PDEMSFGTGJZHRF-GOSISDBHSA-N 2 0 323.525 2.924 20 0 DFADRP C[C@H]([NH2+]C[C@@H]1C[N@H+](C)C[C@H]1c1ccccc1)[C@]1(C)CCCO1 ZINC000647344619 431557845 /nfs/dbraw/zinc/55/78/45/431557845.db2.gz VRFJCWHHHXYBSN-NQYYFHDYSA-N 2 0 302.462 2.879 20 0 DFADRP C[N@@H+]1CC[C@]2(C1)CCC[NH+](CCN1CCCc3ccccc31)C2 ZINC000660660566 431534289 /nfs/dbraw/zinc/53/42/89/431534289.db2.gz ZHIYJMNIVNDZMF-FQEVSTJZSA-N 2 0 313.489 2.857 20 0 DFADRP C[C@]1(C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)OCCc2sccc21 ZINC000353610153 280159634 /nfs/dbraw/zinc/15/96/34/280159634.db2.gz LSLZVTWURPMWBN-GRDNDAEWSA-N 2 0 306.475 2.752 20 0 DFADRP CC(C)[C@H](C(=O)NC[C@H](C)C[NH+]1CCCCC1)[NH+]1CCCCC1 ZINC000354571805 280174013 /nfs/dbraw/zinc/17/40/13/280174013.db2.gz GDWUZSWKNJZURP-ZWKOTPCHSA-N 2 0 323.525 2.735 20 0 DFADRP CC(C)[C@H](C(=O)N[C@@H](C)C[N@@H+]1CCC[C@@H](C)C1)[NH+]1CCCCC1 ZINC000354736544 280177880 /nfs/dbraw/zinc/17/78/80/280177880.db2.gz SOHVPCPWOQZONQ-FGTMMUONSA-N 2 0 323.525 2.734 20 0 DFADRP Cc1c[nH+]ccc1NCCC[N@H+]1CCN(C)C[C@H]1c1ccccc1 ZINC000359440802 280281530 /nfs/dbraw/zinc/28/15/30/280281530.db2.gz SDSQQDXSLQZDLZ-FQEVSTJZSA-N 2 0 324.472 2.603 20 0 DFADRP COCCOc1ccc(C[N@@H+]2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)cc1 ZINC000647480199 431601697 /nfs/dbraw/zinc/60/16/97/431601697.db2.gz GSRGHAZNQSMKGG-HKUYNNGSSA-N 2 0 318.461 2.676 20 0 DFADRP c1cc(CCC[N@H+](C2CC2)C2CC[NH2+]CC2)cc2c1OCC2 ZINC000647482625 431601720 /nfs/dbraw/zinc/60/17/20/431601720.db2.gz UTOWCGOYWGQYSE-UHFFFAOYSA-N 2 0 300.446 2.771 20 0 DFADRP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCC[N@H+](Cc3c(F)cccc3F)C2)C1 ZINC000650705674 431652722 /nfs/dbraw/zinc/65/27/22/431652722.db2.gz QFTJBRXEIAMZNT-PBFPGSCMSA-N 2 0 310.388 2.683 20 0 DFADRP COc1ccc2c(c1)C[C@@H]([NH2+]Cc1ccc(C[NH3+])cc1F)CC2 ZINC000650717513 431661857 /nfs/dbraw/zinc/66/18/57/431661857.db2.gz CURAOGVBMOFBJT-KRWDZBQOSA-N 2 0 314.404 2.940 20 0 DFADRP [NH3+][C@@H]1CCO[C@H]([C@H]2CCC[N@H+](C/C=C/c3ccccc3)C2)C1 ZINC000650706572 431653545 /nfs/dbraw/zinc/65/35/45/431653545.db2.gz NPGSOTCCIONIQN-JBRQLDPCSA-N 2 0 300.446 2.918 20 0 DFADRP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCC[N@H+](Cc3c(F)cccc3F)C2)C1 ZINC000650705673 431653712 /nfs/dbraw/zinc/65/37/12/431653712.db2.gz QFTJBRXEIAMZNT-OGHNNQOOSA-N 2 0 310.388 2.683 20 0 DFADRP COc1ccc(C[N@@H+]2CCC[C@H]([C@H]3C[C@@H]([NH3+])CCO3)C2)cc1F ZINC000650706419 431653855 /nfs/dbraw/zinc/65/38/55/431653855.db2.gz JXZFKOHXNWXECM-RLFYNMQTSA-N 2 0 322.424 2.553 20 0 DFADRP Cc1cc(F)ccc1C[N@@H+]1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1 ZINC000650705914 431654622 /nfs/dbraw/zinc/65/46/22/431654622.db2.gz AFCZMQXJBMPISU-CGTJXYLNSA-N 2 0 306.425 2.852 20 0 DFADRP [NH3+]C[C@]12CCC[C@H]1C[N@H+](Cc1ccc(OCC(F)F)cc1)C2 ZINC000650709151 431655759 /nfs/dbraw/zinc/65/57/59/431655759.db2.gz GFNKTOMFGVQPDP-YOEHRIQHSA-N 2 0 310.388 2.891 20 0 DFADRP [NH3+]C[C@]12CCC[C@H]1C[N@H+](Cc1cnc(-c3ccccc3)nc1)C2 ZINC000650708704 431656946 /nfs/dbraw/zinc/65/69/46/431656946.db2.gz JMURBSOYBQIAPM-HKUYNNGSSA-N 2 0 308.429 2.704 20 0 DFADRP COc1cc(C[N@@H+]2CCC[C@H]([C@@H]3C[C@H]([NH3+])CCO3)C2)ccc1C ZINC000650708341 431657138 /nfs/dbraw/zinc/65/71/38/431657138.db2.gz YDTRSSAEQWCDCZ-SCTDSRPQSA-N 2 0 318.461 2.722 20 0 DFADRP CCOCc1cc(C[N@@H+]2C[C@@H]3CCC[C@]3(C[NH3+])C2)ccc1OC ZINC000650709286 431657453 /nfs/dbraw/zinc/65/74/53/431657453.db2.gz OXZUPDWMMBWMRC-HKUYNNGSSA-N 2 0 318.461 2.793 20 0 DFADRP C[C@@H]1CCC[N@H+](Cc2cc(-n3ccnc3)cs2)[C@@H]1CC[NH3+] ZINC000650711110 431658022 /nfs/dbraw/zinc/65/80/22/431658022.db2.gz ITZVOTVNMQJBSG-CZUORRHYSA-N 2 0 304.463 2.883 20 0 DFADRP C[C@@H](CC[NH2+][C@]1(C)CCO[C@@H]1C)CC[NH2+][C@@]1(C)CCO[C@@H]1C ZINC000664115996 431659660 /nfs/dbraw/zinc/65/96/60/431659660.db2.gz FRSSNQFKISWOQX-HSFUPAIVSA-N 2 0 312.498 2.717 20 0 DFADRP Cn1cc(C[N@@H+]2CC[C@@H](C[NH3+])C2)c(-c2cc3ccccc3o2)n1 ZINC000647490835 431605562 /nfs/dbraw/zinc/60/55/62/431605562.db2.gz UCYPIGYLTZKJHB-ZDUSSCGKSA-N 2 0 310.401 2.614 20 0 DFADRP Cc1ccccc1C[N@@H+]1CCCN(C[C@@H]2CCC[NH2+]C2)CC1 ZINC000647513945 431610972 /nfs/dbraw/zinc/61/09/72/431610972.db2.gz WMYBFDPYPFCBGE-GOSISDBHSA-N 2 0 301.478 2.502 20 0 DFADRP C[C@H]1CCN(Cc2ccccc2)CC[N@@H+]1CC1CC[NH2+]CC1 ZINC000647515605 431611590 /nfs/dbraw/zinc/61/15/90/431611590.db2.gz PVYGOJUCOFZZDE-KRWDZBQOSA-N 2 0 301.478 2.582 20 0 DFADRP COc1cccc(CC2CC[NH+](CC3CC[NH2+]CC3)CC2)c1 ZINC000647518420 431615903 /nfs/dbraw/zinc/61/59/03/431615903.db2.gz HTDZRGXVJKAXKW-UHFFFAOYSA-N 2 0 302.462 2.949 20 0 DFADRP Cc1cn2c(C[NH2+]CC[C@@H]3CCC[N@@H+](C)C3)c(C)nc2s1 ZINC000657189391 431622531 /nfs/dbraw/zinc/62/25/31/431622531.db2.gz PPIBCPOAGHPFBL-AWEZNQCLSA-N 2 0 306.479 2.834 20 0 DFADRP Cc1ccc2ncc(C[N@@H+]3CCC[C@@H]([C@H]4CCC[NH2+]C4)C3)n2c1 ZINC000647543325 431624574 /nfs/dbraw/zinc/62/45/74/431624574.db2.gz LALCVKDDOLLADN-DLBZAZTESA-N 2 0 312.461 2.854 20 0 DFADRP CN(C)c1ccccc1C[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647543292 431624679 /nfs/dbraw/zinc/62/46/79/431624679.db2.gz KPOUWPKPFTVTSQ-SJORKVTESA-N 2 0 301.478 2.964 20 0 DFADRP [NH3+][C@@H]1CCO[C@H]1C1CC[NH+](Cc2nccc3ccccc32)CC1 ZINC000647545180 431625109 /nfs/dbraw/zinc/62/51/09/431625109.db2.gz NOURPKALNWFNGR-MJGOQNOKSA-N 2 0 311.429 2.563 20 0 DFADRP c1cc(C[N@@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)cc2c1OCC2 ZINC000647544095 431625655 /nfs/dbraw/zinc/62/56/55/431625655.db2.gz WRCHNEYOCHDKNX-ROUUACIJSA-N 2 0 300.446 2.833 20 0 DFADRP COc1cc(C)nc(C[N@@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)c1 ZINC000647542868 431626229 /nfs/dbraw/zinc/62/62/29/431626229.db2.gz DCDPQQBORFXGNT-JKSUJKDBSA-N 2 0 303.450 2.610 20 0 DFADRP Clc1cc(C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)cc2c1OCCO2 ZINC000647550391 431627738 /nfs/dbraw/zinc/62/77/38/431627738.db2.gz ONPDKALADVTHPG-BFHYXJOUSA-N 2 0 322.836 2.589 20 0 DFADRP FC(F)(F)c1csc(C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)n1 ZINC000647550475 431628018 /nfs/dbraw/zinc/62/80/18/431628018.db2.gz RUYSCPFSUBBSLH-KXUCPTDWSA-N 2 0 305.369 2.640 20 0 DFADRP Cc1cccc2nc(CC[NH2+][C@@H]3CCC[C@@H]3[C@@H]3CCC[NH2+]3)cn21 ZINC000647554265 431631146 /nfs/dbraw/zinc/63/11/46/431631146.db2.gz VOTNTKJLOSGXSU-KSZLIROESA-N 2 0 312.461 2.696 20 0 DFADRP COC[C@H](C)Oc1ccc(C[NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000657308467 431664635 /nfs/dbraw/zinc/66/46/35/431664635.db2.gz ZRQSEFGLEIGFNT-DOTOQJQBSA-N 2 0 318.461 2.674 20 0 DFADRP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCCN2Cc2csc(C3CC3)n2)C1 ZINC000650722901 431665903 /nfs/dbraw/zinc/66/59/03/431665903.db2.gz DIPOYHOTCCMGLT-BMFZPTHFSA-N 2 0 321.490 2.881 20 0 DFADRP C[C@@H]1C[C@@H](C)C[NH+](CCCC[NH2+]Cc2cnn3c2CCC3)C1 ZINC000657312913 431669329 /nfs/dbraw/zinc/66/93/29/431669329.db2.gz MCYZHWSOXVHYKG-HZPDHXFCSA-N 2 0 304.482 2.677 20 0 DFADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCC[NH2+]Cc2cn(C3CCC3)nn2)C1 ZINC000657312995 431670873 /nfs/dbraw/zinc/67/08/73/431670873.db2.gz OPYNNGHSBCLHJH-IYBDPMFKSA-N 2 0 319.497 2.851 20 0 DFADRP CCCOc1ccc(C[NH2+]CCCC[NH+]2CCOCC2)c(C)c1 ZINC000657312523 431671569 /nfs/dbraw/zinc/67/15/69/431671569.db2.gz KFTKJWKGLISGGE-UHFFFAOYSA-N 2 0 320.477 2.986 20 0 DFADRP [NH3+]CC1(CC[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)CC1 ZINC000650745311 431677771 /nfs/dbraw/zinc/67/77/71/431677771.db2.gz DFPINLQWZWHAKV-LDLYASANSA-N 3 0 313.489 2.901 20 0 DFADRP C[C@H]([NH2+]CCC1(C[NH3+])CC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000650746098 431677805 /nfs/dbraw/zinc/67/78/05/431677805.db2.gz VZVKYJPWFXFRJX-WMZOPIPTSA-N 3 0 301.478 2.616 20 0 DFADRP C[C@H]([NH2+]Cc1ccc(C[NH3+])cc1F)c1ccc2c(c1)OCCO2 ZINC000650752303 431679745 /nfs/dbraw/zinc/67/97/45/431679745.db2.gz NTSIWTTYVGUDBI-LBPRGKRZSA-N 2 0 316.376 2.906 20 0 DFADRP CCn1nc(C)c([C@@H](C)[NH2+]Cc2ccc(C[NH3+])cc2F)c1C ZINC000650753562 431679784 /nfs/dbraw/zinc/67/97/84/431679784.db2.gz PZYDZIOKJYWMGD-LLVKDONJSA-N 2 0 304.413 2.968 20 0 DFADRP C[C@@H](CC(=O)Nc1ccccc1)[NH2+]Cc1ccc(C[NH3+])cc1F ZINC000650751853 431680857 /nfs/dbraw/zinc/68/08/57/431680857.db2.gz COYWCABOYCOGQI-ZDUSSCGKSA-N 2 0 315.392 2.791 20 0 DFADRP CCCC[NH+]1CCC(NCc2cc(C(F)(F)F)nn2C)CC1 ZINC000657336428 431681783 /nfs/dbraw/zinc/68/17/83/431681783.db2.gz SMJKEYFOGZIKEW-UHFFFAOYSA-N 2 0 318.387 2.793 20 0 DFADRP Cc1c([C@@H](C)[NH2+]CCC2CC[NH2+]CC2)nnn1-c1ccccc1 ZINC000650763482 431684275 /nfs/dbraw/zinc/68/42/75/431684275.db2.gz AYKVMLDFZVPIHR-CQSZACIVSA-N 2 0 313.449 2.616 20 0 DFADRP Fc1ccc2[nH]cc(CC[NH2+][C@@H]3CC[C@H]4C[NH2+]C[C@@H]4C3)c2c1 ZINC000647785545 431684288 /nfs/dbraw/zinc/68/42/88/431684288.db2.gz AXEDDELJNJFJIZ-DUVNUKRYSA-N 2 0 301.409 2.827 20 0 DFADRP c1ccc(OCC2CC2)c(C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000647785958 431685079 /nfs/dbraw/zinc/68/50/79/431685079.db2.gz GVFKYRHEGRYDTR-RYQLBKOJSA-N 2 0 300.446 2.953 20 0 DFADRP FC(F)Oc1ccc(CC[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000647785834 431685390 /nfs/dbraw/zinc/68/53/90/431685390.db2.gz FOMIPAKTDLKXEI-RRFJBIMHSA-N 2 0 310.388 2.808 20 0 DFADRP Cc1ccc([C@H](C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)N(C)C)cc1 ZINC000647786318 431685535 /nfs/dbraw/zinc/68/55/35/431685535.db2.gz MTFSVELZJFVABY-HCXYKTFWSA-N 2 0 301.478 2.575 20 0 DFADRP FC1(F)Oc2ccc(CC[NH2+][C@@H]3CC[C@@H]4C[NH2+]C[C@@H]4C3)cc2O1 ZINC000650761243 431685900 /nfs/dbraw/zinc/68/59/00/431685900.db2.gz VSWXDMPSRJHTAR-HZSPNIEDSA-N 2 0 324.371 2.528 20 0 DFADRP c1cc(N2CCCCC2)ncc1C[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000647790415 431686438 /nfs/dbraw/zinc/68/64/38/431686438.db2.gz YGIDRMQSPNZCHW-FGTMMUONSA-N 2 0 314.477 2.550 20 0 DFADRP C(C[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1)Cc1nc2c(s1)CCCC2 ZINC000647789686 431686464 /nfs/dbraw/zinc/68/64/64/431686464.db2.gz JHZLSQMTYGBXLY-RRFJBIMHSA-N 2 0 319.518 2.932 20 0 DFADRP CC[C@@H]1CCCN(C(C)(C)C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)C1 ZINC000647790436 431686967 /nfs/dbraw/zinc/68/69/67/431686967.db2.gz YJLHCICFNYIJHI-VSZNYVQBSA-N 2 0 307.526 2.865 20 0 DFADRP CCCOc1cccc(CC[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000647792884 431687202 /nfs/dbraw/zinc/68/72/02/431687202.db2.gz DALLCKYFODLAJZ-FGTMMUONSA-N 2 0 302.462 2.996 20 0 DFADRP CC(C)(CO)[C@H](C[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1)c1ccccc1 ZINC000647791799 431687728 /nfs/dbraw/zinc/68/77/28/431687728.db2.gz MZXNSFRXLYPGNA-WJFTUGDTSA-N 2 0 316.489 2.766 20 0 DFADRP COc1ccc(C(C)(C)C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000647791990 431688381 /nfs/dbraw/zinc/68/83/81/431688381.db2.gz RCQGBTREYSOVIZ-BFYDXBDKSA-N 2 0 302.462 2.951 20 0 DFADRP CCCCCn1cc(C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)c(C)n1 ZINC000647793663 431689311 /nfs/dbraw/zinc/68/93/11/431689311.db2.gz DDSVSOOVZPYEFQ-LZLYRXPVSA-N 2 0 304.482 2.859 20 0 DFADRP Clc1ccc(N2CC[C@H]([NH2+][C@@H]3CC[C@@H]4C[NH2+]C[C@H]4C3)C2)cc1 ZINC000647794007 431689374 /nfs/dbraw/zinc/68/93/74/431689374.db2.gz OELBYSOWRFMVKY-SRABZTEZSA-N 2 0 319.880 2.896 20 0 DFADRP C[C@H](O)[C@](C)(C[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1)Cc1ccccc1 ZINC000647795801 431689816 /nfs/dbraw/zinc/68/98/16/431689816.db2.gz WGZJOQWOWPVMLE-XCZFOBESSA-N 2 0 316.489 2.594 20 0 DFADRP c1cc(C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)cc(OC2CCCC2)n1 ZINC000647793465 431690040 /nfs/dbraw/zinc/69/00/40/431690040.db2.gz ZCJHCLOPLKBOCY-IXDOHACOSA-N 2 0 315.461 2.881 20 0 DFADRP Fc1cc(F)c(C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)c(F)c1F ZINC000647795254 431690113 /nfs/dbraw/zinc/69/01/13/431690113.db2.gz MKSPGVLSNWPRBV-OPRDCNLKSA-N 2 0 302.315 2.721 20 0 DFADRP C([NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1)[C@H]1CCC[N@@H+]1C1CCCCC1 ZINC000647796934 431691099 /nfs/dbraw/zinc/69/10/99/431691099.db2.gz RJJCIYLMFSQWDU-DODZYUBVSA-N 3 0 305.510 2.761 20 0 DFADRP c1ccc([C@H]2CC[C@H](C[NH2+][C@@H]3CC[C@H]4C[NH2+]C[C@H]4C3)O2)cc1 ZINC000647797887 431691314 /nfs/dbraw/zinc/69/13/14/431691314.db2.gz GIJGWCYLDKQBMH-UURKPOQGSA-N 2 0 300.446 2.884 20 0 DFADRP c1ccc2c(c1)O[C@@H](CC[NH2+]C1C[C@H]3CC[C@@H](C1)[NH2+]3)CS2 ZINC000647800700 431691385 /nfs/dbraw/zinc/69/13/85/431691385.db2.gz JFVZUCFWCKICKF-IXXDHKBRSA-N 2 0 304.459 2.802 20 0 DFADRP c1ccc([C@H]2C[C@@H]2C[NH2+][C@@H]2CCOC[C@@H]2[C@H]2CCC[NH2+]2)cc1 ZINC000647801169 431692081 /nfs/dbraw/zinc/69/20/81/431692081.db2.gz QESGSDPEBKQQPJ-FVVUREQNSA-N 2 0 300.446 2.537 20 0 DFADRP c1ccc([C@@H]2CC[C@H](C[NH2+][C@@H]3CC[C@@H]4C[NH2+]C[C@H]4C3)O2)cc1 ZINC000647797883 431692293 /nfs/dbraw/zinc/69/22/93/431692293.db2.gz GIJGWCYLDKQBMH-NNIGNNQHSA-N 2 0 300.446 2.884 20 0 DFADRP NC(=O)[C@H]1CCC[N@H+](CCC[NH2+]C2CCC(C3CCC3)CC2)C1 ZINC000657349399 431693359 /nfs/dbraw/zinc/69/33/59/431693359.db2.gz FSRFWLNCNLOETH-ADKAHSJRSA-N 2 0 321.509 2.522 20 0 DFADRP O=C(CC[N@H+](C1CC1)C1CC[NH2+]CC1)Nc1cc(F)cc(F)c1 ZINC000647815147 431696956 /nfs/dbraw/zinc/69/69/56/431696956.db2.gz QZXAXAORHSXPGN-UHFFFAOYSA-N 2 0 323.387 2.510 20 0 DFADRP C[C@@H]1C[N@H+](C(C)(C)CNc2[nH+]ccc3[nH]ccc32)C[C@H](C)O1 ZINC000647852958 431709322 /nfs/dbraw/zinc/70/93/22/431709322.db2.gz YRHQSOICMSCBTB-BETUJISGSA-N 2 0 302.422 2.863 20 0 DFADRP C[C@@H]1C[NH+](C(C)(C)CNc2[nH+]ccc3[nH]ccc32)C[C@@H](C)O1 ZINC000647852960 431709389 /nfs/dbraw/zinc/70/93/89/431709389.db2.gz YRHQSOICMSCBTB-CHWSQXEVSA-N 2 0 302.422 2.863 20 0 DFADRP c1cc(C[NH2+][C@H]2C[C@H]2Cc2ccccc2)n(-c2cc[nH+]cc2)n1 ZINC000657376297 431711668 /nfs/dbraw/zinc/71/16/68/431711668.db2.gz QERSQEGSHILFRU-APWZRJJASA-N 2 0 304.397 2.988 20 0 DFADRP C[C@@H]([NH3+])[C@H]1CN(CCCOc2cccc3ccccc32)CCO1 ZINC000647864352 431712352 /nfs/dbraw/zinc/71/23/52/431712352.db2.gz UVPQAQLOAUZPDK-DNVCBOLYSA-N 2 0 314.429 2.657 20 0 DFADRP C[NH2+]Cc1ccccc1C[NH2+]Cc1ccc(OC)c(OC)c1 ZINC000650718870 431662812 /nfs/dbraw/zinc/66/28/12/431662812.db2.gz ZKFLVYQASBNYAC-UHFFFAOYSA-N 2 0 300.402 2.713 20 0 DFADRP C[C@@H](CC(=O)N1CCCCCC1)[NH2+]Cc1ccc(C[NH3+])cc1F ZINC000650717523 431663310 /nfs/dbraw/zinc/66/33/10/431663310.db2.gz DAGVDMJLSYTDMV-AWEZNQCLSA-N 2 0 321.440 2.555 20 0 DFADRP C[NH+](C)Cc1cccc(NC(=O)NC[C@H]2CC[N@@H+]2C(C)(C)C)c1 ZINC000664291617 431725239 /nfs/dbraw/zinc/72/52/39/431725239.db2.gz KXYPXBJCXDFBNE-MRXNPFEDSA-N 2 0 318.465 2.743 20 0 DFADRP CCCCOCCN(Cc1ccccn1)[C@H]1CCC[NH2+]CC1 ZINC000647913544 431725845 /nfs/dbraw/zinc/72/58/45/431725845.db2.gz PHHISPKZNTWAKJ-SFHVURJKSA-N 2 0 305.466 2.842 20 0 DFADRP CO[C@](C)(C[N@@H+]1CC[C@H](CN(C)Cc2cccnc2)C1)C1CC1 ZINC000647912755 431726572 /nfs/dbraw/zinc/72/65/72/431726572.db2.gz YWKZBMPTBZNJDJ-IEBWSBKVSA-N 2 0 317.477 2.650 20 0 DFADRP CC1([NH3+])CC[NH+](CCCc2nc(-c3cccs3)no2)CC1 ZINC000647926822 431730354 /nfs/dbraw/zinc/73/03/54/431730354.db2.gz NXVSBFYGVQWFKV-UHFFFAOYSA-N 2 0 306.435 2.544 20 0 DFADRP Cc1nc(CC[NH2+]Cc2ccnn2-c2cc[nH+]cc2)sc1C ZINC000657400992 431730427 /nfs/dbraw/zinc/73/04/27/431730427.db2.gz MKJAQDWWMLLKRW-UHFFFAOYSA-N 2 0 313.430 2.673 20 0 DFADRP CC[C@@H](C)[N@H+](CC)CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000661103127 431731694 /nfs/dbraw/zinc/73/16/94/431731694.db2.gz DUENINGGLUCXQU-WBVHZDCISA-N 2 0 305.466 2.526 20 0 DFADRP Cn1ncc(C(F)(F)F)c1C[NH2+]C1CCC(C[NH+](C)C)CC1 ZINC000657414960 431734887 /nfs/dbraw/zinc/73/48/87/431734887.db2.gz XEXMHTPANOMTFL-UHFFFAOYSA-N 2 0 318.387 2.649 20 0 DFADRP CC[C@H]1C[N@H+](CCOc2ccc(Cl)c(F)c2)CC[C@H]1[NH3+] ZINC000647934956 431736823 /nfs/dbraw/zinc/73/68/23/431736823.db2.gz VLMRTMDBRPJQAR-XHDPSFHLSA-N 2 0 300.805 2.917 20 0 DFADRP CC(C)C[C@@H]1C[C@H]([NH2+]Cc2ccnn2-c2cc[nH+]cc2)CCO1 ZINC000657427854 431743522 /nfs/dbraw/zinc/74/35/22/431743522.db2.gz GREPLPKJGLCGDP-CRAIPNDOSA-N 2 0 314.433 2.951 20 0 DFADRP CC(C)[N@H+](C)C[C@@H](O)C[NH+]1CCCC[C@@H]1Cc1ccccc1 ZINC000647962295 431752003 /nfs/dbraw/zinc/75/20/03/431752003.db2.gz XROWLURYSNAWBJ-RTBURBONSA-N 2 0 304.478 2.785 20 0 DFADRP CC(C)[N@H+](C)C[C@H](O)C[NH+]1CCCC[C@@H]1Cc1ccccc1 ZINC000647962292 431752141 /nfs/dbraw/zinc/75/21/41/431752141.db2.gz XROWLURYSNAWBJ-MOPGFXCFSA-N 2 0 304.478 2.785 20 0 DFADRP Fc1c(C[NH2+][C@H]2CCn3ccnc3C2)cccc1OC1CC1 ZINC000657440284 431754684 /nfs/dbraw/zinc/75/46/84/431754684.db2.gz QKXWRYPNTBOQHU-ZDUSSCGKSA-N 2 0 301.365 2.668 20 0 DFADRP Cn1ncc(C2CCC2)c1CNCC(C)(C)C[NH+]1CCCC1 ZINC000657445542 431756296 /nfs/dbraw/zinc/75/62/96/431756296.db2.gz BJXMDTNVXCRMFS-UHFFFAOYSA-N 2 0 304.482 2.899 20 0 DFADRP Oc1ccc2c(c1)CC[C@@H]([NH2+]Cc1ccnn1-c1cc[nH+]cc1)C2 ZINC000657450399 431761381 /nfs/dbraw/zinc/76/13/81/431761381.db2.gz REUBTRRNMZSZKG-MRXNPFEDSA-N 2 0 320.396 2.620 20 0 DFADRP CCCCc1noc(C[N@@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)n1 ZINC000647976882 431762383 /nfs/dbraw/zinc/76/23/83/431762383.db2.gz VSCOMDOLDAWVEC-CABCVRRESA-N 2 0 306.454 2.624 20 0 DFADRP COc1ccc(CC[N@@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)cc1 ZINC000647977080 431763291 /nfs/dbraw/zinc/76/32/91/431763291.db2.gz XRIVJYXRWZXZDS-MSOLQXFVSA-N 2 0 302.462 2.949 20 0 DFADRP Cc1cccc(C)c1NC(=O)C[N@H+](C)CCCC1CC[NH2+]CC1 ZINC000647872310 431714181 /nfs/dbraw/zinc/71/41/81/431714181.db2.gz UIGVIDRMRQYZQW-UHFFFAOYSA-N 2 0 317.477 2.954 20 0 DFADRP CC(C)[C@H](C)NC(=O)C1CC[NH+](CCCC2CC[NH2+]CC2)CC1 ZINC000647883373 431717294 /nfs/dbraw/zinc/71/72/94/431717294.db2.gz LTJOXHVUOQPMKO-INIZCTEOSA-N 2 0 323.525 2.639 20 0 DFADRP C(CC1CC[NH2+]CC1)C[NH+]1CCC(OC[C@@H]2CCCCO2)CC1 ZINC000647890686 431718884 /nfs/dbraw/zinc/71/88/84/431718884.db2.gz DDVFKYBWGWHRAE-IBGZPJMESA-N 2 0 324.509 2.816 20 0 DFADRP CC[N@H+](CCCNCc1cc2n(n1)CCC2)C1CCCCC1 ZINC000657500274 431789251 /nfs/dbraw/zinc/78/92/51/431789251.db2.gz KHHDTNFAXWLIQL-UHFFFAOYSA-N 2 0 304.482 2.964 20 0 DFADRP COCC1([NH2+]Cc2ccc(OCC[NH+](C)C)cc2)CCCC1 ZINC000657546820 431805548 /nfs/dbraw/zinc/80/55/48/431805548.db2.gz FWBBUDNGHJRFCN-UHFFFAOYSA-N 2 0 306.450 2.676 20 0 DFADRP C[C@@H](CN(C)CCC[NH+](C)C)[NH2+]Cc1ccc([C@@H]2C[C@@H]2C)o1 ZINC000657573680 431814816 /nfs/dbraw/zinc/81/48/16/431814816.db2.gz OMAYQHDSEDUCGJ-YQQAZPJKSA-N 2 0 307.482 2.765 20 0 DFADRP C[C@@H](CN(C)CCC[NH+](C)C)[NH2+]Cc1cccc(C2CC2)c1 ZINC000657572558 431815061 /nfs/dbraw/zinc/81/50/61/431815061.db2.gz AQPQRFNHAYHLBW-INIZCTEOSA-N 2 0 303.494 2.926 20 0 DFADRP C[C@@H]([NH2+]C[C@@H]1CC[NH2+]C1)c1ccc(NC(=O)c2ccncc2)cc1 ZINC000647991940 431766499 /nfs/dbraw/zinc/76/64/99/431766499.db2.gz HLMQWMUMVVIXSX-HUUCEWRRSA-N 2 0 324.428 2.594 20 0 DFADRP CCC[N@H+](C[C@H]1CC[NH2+]C1)[C@@H](C)CC(=O)Nc1ccccc1 ZINC000647991220 431767694 /nfs/dbraw/zinc/76/76/94/431767694.db2.gz MEHNBGWUHQMALR-HOTGVXAUSA-N 2 0 303.450 2.725 20 0 DFADRP OC[C@@H](C[NH2+]Cc1ccnn1-c1cc[nH+]cc1)C1CCCCC1 ZINC000657475041 431774227 /nfs/dbraw/zinc/77/42/27/431774227.db2.gz YHMXZAXRESHEBB-MRXNPFEDSA-N 2 0 314.433 2.546 20 0 DFADRP COC[C@H](C)Oc1ccc(C[NH2+]CC[C@H]2CCC[N@H+](C)C2)cc1 ZINC000657492741 431782906 /nfs/dbraw/zinc/78/29/06/431782906.db2.gz ZWIDOQFMZOTPHE-FUHWJXTLSA-N 2 0 320.477 2.922 20 0 DFADRP O[C@H]1CC[N@H+](Cc2ccc(C[NH2+]Cc3cccs3)cc2)C1 ZINC000657596387 431821577 /nfs/dbraw/zinc/82/15/77/431821577.db2.gz VWUYROUTXXMJGM-INIZCTEOSA-N 2 0 302.443 2.605 20 0 DFADRP O[C@H]1CC[N@H+](Cc2ccc(C[NH2+]C3CCC(F)(F)CC3)cc2)C1 ZINC000657596091 431821885 /nfs/dbraw/zinc/82/18/85/431821885.db2.gz LFEXEGPVKKRVGP-KRWDZBQOSA-N 2 0 324.415 2.921 20 0 DFADRP Cc1cc(C[NH2+]Cc2ccc(C[N@@H+]3CC[C@@H](O)C3)cc2)cs1 ZINC000657595410 431822179 /nfs/dbraw/zinc/82/21/79/431822179.db2.gz IEENLUIGMGMOFV-GOSISDBHSA-N 2 0 316.470 2.913 20 0 DFADRP C[NH+](C)CC1CCC(NC(=O)[C@H]([NH3+])c2cccc(Cl)c2)CC1 ZINC000648151985 431827150 /nfs/dbraw/zinc/82/71/50/431827150.db2.gz DEKRJUITGFGRNZ-VDSRIPIWSA-N 2 0 323.868 2.576 20 0 DFADRP C[C@H](COc1c(F)cccc1F)[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000657629089 431829447 /nfs/dbraw/zinc/82/94/47/431829447.db2.gz ZTOHCZUSFCHDIV-MGPQQGTHSA-N 2 0 310.388 2.949 20 0 DFADRP CC[C@@H]1CN(C(=O)CCC(C)(C)[NH3+])CC[N@@H+]1Cc1ccccc1 ZINC000648163190 431829498 /nfs/dbraw/zinc/82/94/98/431829498.db2.gz GMOWEHPNQDKEKJ-QGZVFWFLSA-N 2 0 317.477 2.627 20 0 DFADRP C[C@@H]1CCC[C@H](C[NH2+]Cc2ccc(OCC[NH+](C)C)cc2)O1 ZINC000657662621 431833761 /nfs/dbraw/zinc/83/37/61/431833761.db2.gz DKHBPRKISPJWCG-CRAIPNDOSA-N 2 0 306.450 2.674 20 0 DFADRP Cc1ccc2c(c1)[C@H]([NH2+]CCN1CCC([NH+](C)C)CC1)[C@H](C)C2 ZINC000180712432 281117543 /nfs/dbraw/zinc/11/75/43/281117543.db2.gz NLFWJFHAKPMNMG-OXQOHEQNSA-N 2 0 315.505 2.844 20 0 DFADRP Cc1ccc2nc(C[N@H+]3CCCC4(CC[NH+](C)CC4)C3)cn2c1 ZINC000374159247 281153571 /nfs/dbraw/zinc/15/35/71/281153571.db2.gz IOLILIZHESIDDA-UHFFFAOYSA-N 2 0 312.461 2.951 20 0 DFADRP Cc1ccc2[nH+]ccc(N3C[C@@H](C)[C@@H]([NH+]4CCOCC4)C3)c2c1 ZINC000248711670 281170886 /nfs/dbraw/zinc/17/08/86/281170886.db2.gz CPUUEGTWSAQUMK-BEFAXECRSA-N 2 0 311.429 2.700 20 0 DFADRP Cc1cccc(C)c1NC(=O)[C@@H](C)[NH+]1CCC(C[NH+](C)C)CC1 ZINC000354490449 281209030 /nfs/dbraw/zinc/20/90/30/281209030.db2.gz GTNRZLHFWMJWTO-MRXNPFEDSA-N 2 0 317.477 2.904 20 0 DFADRP CCC(C)(C)[NH2+][C@@H](C)C(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000299272640 282010836 /nfs/dbraw/zinc/01/08/36/282010836.db2.gz UXDQVNFLNYBQHF-HOCLYGCPSA-N 2 0 305.466 2.572 20 0 DFADRP Cc1[nH+]c2ccccc2c(N2CC[NH+]([C@@H]3CCOC3)CC2)c1C ZINC000360324921 282072977 /nfs/dbraw/zinc/07/29/77/282072977.db2.gz ZFKWVAHHBWPOBP-MRXNPFEDSA-N 2 0 311.429 2.763 20 0 DFADRP CCn1nc(C)c([C@H](C)[NH2+]CC2(SC)CC[NH+](C)CC2)c1C ZINC000353621606 288756534 /nfs/dbraw/zinc/75/65/34/288756534.db2.gz KPGARTAHNZPVBB-ZDUSSCGKSA-N 2 0 324.538 2.998 20 0 DFADRP Cc1cccc2c1[C@@H](C)C[C@H]2[NH2+]CC1CC[NH+](CCO)CC1 ZINC000153648385 289054433 /nfs/dbraw/zinc/05/44/33/289054433.db2.gz JIVGJNHNRSWOHR-MAUKXSAKSA-N 2 0 302.462 2.837 20 0 DFADRP Cc1cccc2c1[C@H](C)C[C@@H]2[NH2+]CC1CC[NH+](CCO)CC1 ZINC000153648105 289054524 /nfs/dbraw/zinc/05/45/24/289054524.db2.gz JIVGJNHNRSWOHR-QAPCUYQASA-N 2 0 302.462 2.837 20 0 DFADRP CCC(CC)(C[NH3+])NC(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C ZINC000415784509 289137636 /nfs/dbraw/zinc/13/76/36/289137636.db2.gz HDTALDIHMXSTPW-INIZCTEOSA-N 2 0 318.465 2.875 20 0 DFADRP C[NH+](C)[C@@H](CNC(=O)C[NH+]1CCC(C)(C)CC1)c1ccccc1 ZINC000354803829 289277271 /nfs/dbraw/zinc/27/72/71/289277271.db2.gz FUZYXHYUDSGCKF-KRWDZBQOSA-N 2 0 317.477 2.528 20 0 DFADRP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@@H+]2CCCCC(F)(F)F ZINC000378244661 289332142 /nfs/dbraw/zinc/33/21/42/289332142.db2.gz QNYUTQUZOBHJRL-HZSPNIEDSA-N 2 0 308.388 2.903 20 0 DFADRP C[C@H](c1ccccc1)[N@H+](C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000367117330 290252208 /nfs/dbraw/zinc/25/22/08/290252208.db2.gz NZDDJPBTGHXGFK-VQIMIIECSA-N 2 0 301.478 2.848 20 0 DFADRP C[C@H]1CC(C)(C)CC[C@@H]1[NH2+]CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000360289785 290336367 /nfs/dbraw/zinc/33/63/67/290336367.db2.gz BIUAPEINPNNIIB-YOEHRIQHSA-N 2 0 321.509 2.534 20 0 DFADRP CC[NH+]1CCC([NH2+]C[C@@]2(O)CCC[C@@H](C(F)(F)F)C2)CC1 ZINC000437111071 297054656 /nfs/dbraw/zinc/05/46/56/297054656.db2.gz ONRCISKXADGYRG-TZMCWYRMSA-N 2 0 308.388 2.544 20 0 DFADRP COc1ccc(OC(F)F)c(C[NH2+]C2CCC([NH3+])CC2)c1 ZINC000437793202 297069928 /nfs/dbraw/zinc/06/99/28/297069928.db2.gz NFRGAUUOEFGTTE-UHFFFAOYSA-N 2 0 300.349 2.656 20 0 DFADRP Cc1ccc(NC(=O)C[C@@H](C)[NH2+]C2CCC([NH3+])CC2)c(C)c1 ZINC000437797813 297070199 /nfs/dbraw/zinc/07/01/99/297070199.db2.gz JIDIHLZSXMTLHQ-QQFBHYJXSA-N 2 0 303.450 2.880 20 0 DFADRP COc1cc([C@@H](C)[NH2+]CC[C@@H]2CCC[N@@H+]2C)cc(OC)c1OC ZINC000271630528 295018995 /nfs/dbraw/zinc/01/89/95/295018995.db2.gz BJWFTMNIODQMBS-HIFRSBDPSA-N 2 0 322.449 2.847 20 0 DFADRP COc1cccc(OCCN(C)CC[C@@H]2CCCC[N@@H+]2C)c1 ZINC000154405410 295299351 /nfs/dbraw/zinc/29/93/51/295299351.db2.gz GTIBYWKATWEXCD-INIZCTEOSA-N 2 0 306.450 2.880 20 0 DFADRP CCOc1ccc([C@@H](C)[NH2+]CCCC[NH+]2CCN(C)CC2)cc1 ZINC000154435807 295300472 /nfs/dbraw/zinc/30/04/72/295300472.db2.gz QJACZRGKSFJTGW-QGZVFWFLSA-N 2 0 319.493 2.764 20 0 DFADRP CCN(CC)C(=O)C[NH2+][C@H](C)c1ccc(-n2ccnc2C)cc1 ZINC000154767967 295306288 /nfs/dbraw/zinc/30/62/88/295306288.db2.gz LTUZFHHSOILGCJ-CQSZACIVSA-N 2 0 314.433 2.700 20 0 DFADRP [NH3+][C@@H]1CCC[C@H](C(=O)N2CCC[C@H](C[NH+]3CCCCCC3)C2)C1 ZINC000262320824 295310406 /nfs/dbraw/zinc/31/04/06/295310406.db2.gz VPVFCAHRMMNCDN-FGTMMUONSA-N 2 0 321.509 2.619 20 0 DFADRP CC[NH+]1CCN([C@@H](C)C[NH2+][C@H](C)C(C)(C)c2ccccc2)CC1 ZINC000155572294 295320981 /nfs/dbraw/zinc/32/09/81/295320981.db2.gz WUWXXNHBZBYFPB-ZWKOTPCHSA-N 2 0 317.521 2.968 20 0 DFADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1[NH2+]CCCc1nc2ccccc2[nH]1 ZINC000156170837 295332119 /nfs/dbraw/zinc/33/21/19/295332119.db2.gz VGROUPGWICCSRB-JKIFEVAISA-N 3 0 300.450 2.814 20 0 DFADRP CCC(C)(C)[C@@H]1CCC[N@@H+]1CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000156754538 295340469 /nfs/dbraw/zinc/34/04/69/295340469.db2.gz QASRKOZOKKCXEU-KRWDZBQOSA-N 2 0 321.509 2.630 20 0 DFADRP c1cc(-c2ccc(C[NH+]3CCC(C[NH+]4CCCC4)CC3)o2)n[nH]1 ZINC000363770724 295442266 /nfs/dbraw/zinc/44/22/66/295442266.db2.gz WHCSDNULXDWZLB-UHFFFAOYSA-N 2 0 314.433 2.978 20 0 DFADRP CC[C@H]([NH2+][C@H]1CCN(C2CC[NH+](C)CC2)C1)c1ccccc1 ZINC000370623966 295461355 /nfs/dbraw/zinc/46/13/55/295461355.db2.gz DZPZLVOEBXHHIR-HKUYNNGSSA-N 2 0 301.478 2.896 20 0 DFADRP CC[C@H]([NH2+]CC1(O)CC[NH+](Cc2ccccc2)CC1)C1CC1 ZINC000397498125 295487855 /nfs/dbraw/zinc/48/78/55/295487855.db2.gz SHLHPEBGTDLMEL-SFHVURJKSA-N 2 0 302.462 2.792 20 0 DFADRP C[C@@H]([NH2+]CCCC[NH+](C)C)[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000400322653 295496735 /nfs/dbraw/zinc/49/67/35/295496735.db2.gz AIEAVMKMAVJYSS-HUUCEWRRSA-N 2 0 313.486 2.706 20 0 DFADRP CC(CC[NH2+][C@H](C)[C@@H]1CCCO1)CC[NH2+][C@H](C)[C@@H]1CCCO1 ZINC000411535541 295545254 /nfs/dbraw/zinc/54/52/54/295545254.db2.gz PRHDDBHXUITZCI-BDXSIMOUSA-N 2 0 312.498 2.717 20 0 DFADRP CCC[C@@H]([NH2+]C(C)C)C(=O)Nc1ccc(C[NH+](C)C)cc1F ZINC000412560103 295634096 /nfs/dbraw/zinc/63/40/96/295634096.db2.gz PBNHEPIPAKTJRJ-MRXNPFEDSA-N 2 0 309.429 2.993 20 0 DFADRP c1ccc(CC[N@H+]2CC[C@@H](C[NH2+]CC[C@@H]3CCOC3)C2)cc1 ZINC000438218151 297085075 /nfs/dbraw/zinc/08/50/75/297085075.db2.gz XWWOCRHVKHWNAE-MOPGFXCFSA-N 2 0 302.462 2.567 20 0 DFADRP O=C(N[C@H]1CC[N@@H+](C2CCCC2)C1)[C@H]1CCC[NH+]1C1CCCC1 ZINC000439829236 297139351 /nfs/dbraw/zinc/13/93/51/297139351.db2.gz GAEBQTDSYVQTDI-MAUKXSAKSA-N 2 0 319.493 2.527 20 0 DFADRP O=C(N[C@@H]1CC[N@@H+](C2CCCC2)C1)[C@H]1CCC[NH+]1C1CCCC1 ZINC000439829230 297139431 /nfs/dbraw/zinc/13/94/31/297139431.db2.gz GAEBQTDSYVQTDI-CRAIPNDOSA-N 2 0 319.493 2.527 20 0 DFADRP C[N@H+](CCNC(=O)[C@H]1CCC[NH+]1C1CCCC1)C1CCCCC1 ZINC000440116451 297144678 /nfs/dbraw/zinc/14/46/78/297144678.db2.gz FCNXOIDZVGIVCI-GOSISDBHSA-N 2 0 321.509 2.774 20 0 DFADRP OC[C@@H]1CCC[N@@H+]1CCCC[NH2+]C1CCC(C(F)F)CC1 ZINC000442783758 297206057 /nfs/dbraw/zinc/20/60/57/297206057.db2.gz RXXFTAGSHDVQND-NRXISQOPSA-N 2 0 304.425 2.637 20 0 DFADRP CC[NH+](CC)CCOCC[NH2+][C@H]1Cc2[nH]c3ccccc3c2C1 ZINC000442841744 297208187 /nfs/dbraw/zinc/20/81/87/297208187.db2.gz OUXBUDNHVNMPLW-OAHLLOKOSA-N 2 0 315.461 2.583 20 0 DFADRP C[C@@H]([NH2+]CCN1CC[N@H+](C)C(C)(C)C1)C(C)(C)c1ccccc1 ZINC000442878477 297209284 /nfs/dbraw/zinc/20/92/84/297209284.db2.gz YZQBPUHZJQGMBF-QGZVFWFLSA-N 2 0 317.521 2.968 20 0 DFADRP C[C@H](CCCC(F)(F)F)[NH2+]CCN1CC[N@H+](C)C(C)(C)C1 ZINC000442877484 297209354 /nfs/dbraw/zinc/20/93/54/297209354.db2.gz URLQZPSBLREVIE-CYBMUJFWSA-N 2 0 309.420 2.723 20 0 DFADRP COc1cc2c(c(C[N@@H+]3CCC[C@H](CC[NH3+])C3)c1)O[C@@H](C)C2 ZINC000442922969 297211020 /nfs/dbraw/zinc/21/10/20/297211020.db2.gz LRTNAJXYKYWLPG-UONOGXRCSA-N 2 0 304.434 2.579 20 0 DFADRP [NH3+]CC[C@H]1CCC[N@H+](Cc2nn(-c3ccccc3)c3c2CCC3)C1 ZINC000443055733 297213599 /nfs/dbraw/zinc/21/35/99/297213599.db2.gz BMOYRRYDZMLSNZ-MRXNPFEDSA-N 2 0 324.472 2.922 20 0 DFADRP C[C@H](c1nc(-c2cccs2)no1)[N@@H+]1CCC[C@H](CC[NH3+])C1 ZINC000443056090 297213636 /nfs/dbraw/zinc/21/36/36/297213636.db2.gz CABZRZQBGXDROK-VXGBXAGGSA-N 2 0 306.435 2.920 20 0 DFADRP Cc1ccc(C)c(NC(=O)[C@@H](C)[N@@H+]2CCC[C@@H](CC[NH3+])C2)c1 ZINC000443057048 297213817 /nfs/dbraw/zinc/21/38/17/297213817.db2.gz FDXRERKLRGHBGF-CVEARBPZSA-N 2 0 303.450 2.691 20 0 DFADRP Cc1ccccc1[C@H](C)NC(=O)[C@H](C)[N@@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000443059890 297213924 /nfs/dbraw/zinc/21/39/24/297213924.db2.gz NSKOZGIEXGMHPF-ULQDDVLXSA-N 2 0 317.477 2.622 20 0 DFADRP Cc1cc(C)c(NC(=O)[C@@H](C)[N@@H+]2CCC[C@@H](CC[NH3+])C2)c(C)c1 ZINC000443062691 297214250 /nfs/dbraw/zinc/21/42/50/297214250.db2.gz UZXKYCUBZUIFBG-SJORKVTESA-N 2 0 317.477 3.000 20 0 DFADRP Cc1cc(C)c(NC(=O)[C@H](C)[N@@H+]2CCC[C@H](CC[NH3+])C2)c(C)c1 ZINC000443062688 297214276 /nfs/dbraw/zinc/21/42/76/297214276.db2.gz UZXKYCUBZUIFBG-DLBZAZTESA-N 2 0 317.477 3.000 20 0 DFADRP Cc1ccc(F)cc1NC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000443062276 297214377 /nfs/dbraw/zinc/21/43/77/297214377.db2.gz UFVVHZMNKUIIQD-KGLIPLIRSA-N 2 0 307.413 2.522 20 0 DFADRP C[C@H](NC(=O)C[N@@H+]1CCC[C@@H](CC[NH3+])C1)c1ccc(Cl)cc1 ZINC000443063427 297214520 /nfs/dbraw/zinc/21/45/20/297214520.db2.gz WOWROYZZXFWDGU-KBPBESRZSA-N 2 0 323.868 2.578 20 0 DFADRP C[C@H](c1nc(-c2ccccc2)no1)[N@@H+]1CCC[C@H](CC[NH3+])C1 ZINC000443066088 297214921 /nfs/dbraw/zinc/21/49/21/297214921.db2.gz DIXKBSLIFNHMIG-ZIAGYGMSSA-N 2 0 300.406 2.858 20 0 DFADRP CC(C)c1ccc(CC[NH2+]CCN2CC[N@H+](C)C(C)(C)C2)cc1 ZINC000443070105 297214935 /nfs/dbraw/zinc/21/49/35/297214935.db2.gz OBLIYKKAMIJCST-UHFFFAOYSA-N 2 0 317.521 2.968 20 0 DFADRP CO[C@H]1CC[N@H+](Cc2cn(-c3cc[nH+]cc3)nc2C)[C@@H](C)C1 ZINC000443075773 297215334 /nfs/dbraw/zinc/21/53/34/297215334.db2.gz VXIZFMUXAKSWQF-GUYCJALGSA-N 2 0 300.406 2.575 20 0 DFADRP Cc1ccccc1-c1nc(CN2CCC[C@H](CC[NH3+])C2)no1 ZINC000443079358 297215625 /nfs/dbraw/zinc/21/56/25/297215625.db2.gz ZGFNMKMIFLMZEH-CQSZACIVSA-N 2 0 300.406 2.606 20 0 DFADRP CCc1ccccc1CC[N@H+](C)CCN(C)C1CC[NH+](C)CC1 ZINC000444663869 297243765 /nfs/dbraw/zinc/24/37/65/297243765.db2.gz PNVBHWKLGOEJHE-UHFFFAOYSA-N 2 0 317.521 2.749 20 0 DFADRP CC[N@H+](CC(=O)NC1CC[NH+](C2CC2)CC1)[C@H]1CCCC[C@@H]1C ZINC000444670164 297244294 /nfs/dbraw/zinc/24/42/94/297244294.db2.gz FIIUEDKABDVIHX-YJBOKZPZSA-N 2 0 321.509 2.630 20 0 DFADRP CCCC[N@@H+]1CCCC[C@H]1CNC(=O)[C@@](C)([NH3+])c1ccccc1 ZINC000447454399 297304553 /nfs/dbraw/zinc/30/45/53/297304553.db2.gz XTJHWAQRVMTHHH-HKUYNNGSSA-N 2 0 317.477 2.631 20 0 DFADRP CCN1CC[NH+](CCCC[NH2+][C@@H](C)c2cc(C)oc2C)CC1 ZINC000447541604 297307721 /nfs/dbraw/zinc/30/77/21/297307721.db2.gz MOKFWKQCXJRIFX-INIZCTEOSA-N 2 0 307.482 2.965 20 0 DFADRP Cc1cc([C@H](C)[NH2+]CC2CC[NH+](CCN(C)C)CC2)c(C)o1 ZINC000447562822 297308662 /nfs/dbraw/zinc/30/86/62/297308662.db2.gz NICTXPBXCFBPIB-HNNXBMFYSA-N 2 0 307.482 2.821 20 0 DFADRP C[C@H](CCc1ccc(Cl)s1)[NH2+]CCOCC[NH+](C)C ZINC000447602040 297310260 /nfs/dbraw/zinc/31/02/60/297310260.db2.gz SETIHMKKECBCPV-GFCCVEGCSA-N 2 0 304.887 2.890 20 0 DFADRP CC[NH+](CC)CCO[C@@H]1CC[N@H+](Cc2ccc(C)c(OC)c2)C1 ZINC000447727918 297314860 /nfs/dbraw/zinc/31/48/60/297314860.db2.gz CULXKNXDQYOUKU-GOSISDBHSA-N 2 0 320.477 2.936 20 0 DFADRP C[C@@H](Cc1ccccc1)[NH+]1CCC([NH2+]C[C@@H]2CCCO2)CC1 ZINC000449064006 297399336 /nfs/dbraw/zinc/39/93/36/297399336.db2.gz OFOBPPJUQFTNSU-LPHOPBHVSA-N 2 0 302.462 2.851 20 0 DFADRP C[C@@H]1CC[C@@H](C)[C@@H]([NH2+]Cc2ccc(N3CC[NH+](C)CC3)nc2)C1 ZINC000449072393 297400507 /nfs/dbraw/zinc/40/05/07/297400507.db2.gz JZKINRIZTNMNSR-NUJGCVRESA-N 2 0 316.493 2.748 20 0 DFADRP C[C@H](Cc1coc2ccccc12)[NH2+]C[C@@H](C)N1CC[NH+](C)CC1 ZINC000449138086 297411413 /nfs/dbraw/zinc/41/14/13/297411413.db2.gz ZUCBYKPVCDNLTC-HZPDHXFCSA-N 2 0 315.461 2.589 20 0 DFADRP C[C@@H](Cc1coc2ccccc12)[NH2+]CCCN1CC[NH+](C)CC1 ZINC000449218401 297424645 /nfs/dbraw/zinc/42/46/45/297424645.db2.gz HZOPDAGBIZLCPW-INIZCTEOSA-N 2 0 315.461 2.591 20 0 DFADRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+]Cc1cccc2ccoc21 ZINC000449252763 297429820 /nfs/dbraw/zinc/42/98/20/297429820.db2.gz WHHQGYJGYQHWCD-OAHLLOKOSA-N 2 0 301.434 2.548 20 0 DFADRP CC[NH+]1CCN(CC(C)(C)[NH2+]C/C=C/c2ccc(F)cc2)CC1 ZINC000449744490 297524875 /nfs/dbraw/zinc/52/48/75/297524875.db2.gz HNCVIPHATIHQBG-AATRIKPKSA-N 2 0 319.468 2.845 20 0 DFADRP CC[NH+]1CCN(CC(C)(C)[NH2+]C[C@H](C)Cc2ccccc2)CC1 ZINC000449747179 297525422 /nfs/dbraw/zinc/52/54/22/297525422.db2.gz VRSUBDHVPUEENW-GOSISDBHSA-N 2 0 317.521 2.871 20 0 DFADRP CC[NH+]1CCN(CC(C)(C)[NH2+]Cc2cccc3ccoc32)CC1 ZINC000449746140 297525428 /nfs/dbraw/zinc/52/54/28/297525428.db2.gz QHASDYNQWJYDAC-UHFFFAOYSA-N 2 0 315.461 2.939 20 0 DFADRP C[C@@H](c1ccccc1)[C@@H](O)C[NH+]1CCC(CC[NH+](C)C)CC1 ZINC000450290332 297607724 /nfs/dbraw/zinc/60/77/24/297607724.db2.gz UCXFFNDZVJOXCT-LPHOPBHVSA-N 2 0 304.478 2.815 20 0 DFADRP C[C@@]1(C(=O)NCC2([NH+]3CCCCC3)CCCCC2)CCC[NH2+]C1 ZINC000237573810 297868157 /nfs/dbraw/zinc/86/81/57/297868157.db2.gz PBKRXSJPWXLRCA-GOSISDBHSA-N 2 0 321.509 2.681 20 0 DFADRP CO[C@H]1C[C@@H]([NH2+]Cc2ccc(OCC[NH+](C)C)cc2)C12CCC2 ZINC000453068779 298059135 /nfs/dbraw/zinc/05/91/35/298059135.db2.gz SRMFMNVXAHCEHI-MSOLQXFVSA-N 2 0 318.461 2.674 20 0 DFADRP CC(C)[C@H](Cn1cccn1)[NH2+]Cc1ccc(C[NH+](C)C)cc1 ZINC000453073585 298059747 /nfs/dbraw/zinc/05/97/47/298059747.db2.gz FMDKDUGCNWMIDK-SFHVURJKSA-N 2 0 300.450 2.759 20 0 DFADRP C[NH+]1CCN(c2ccc(C[NH2+][C@H](C3CC3)C3CCC3)cn2)CC1 ZINC000453071859 298059815 /nfs/dbraw/zinc/05/98/15/298059815.db2.gz DQNQTXQBOWTJME-IBGZPJMESA-N 2 0 314.477 2.502 20 0 DFADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+][C@@H](C2CC2)C2CCCC2)CC1 ZINC000453115229 298063077 /nfs/dbraw/zinc/06/30/77/298063077.db2.gz WUJUCRKSMNQMOL-QFBILLFUSA-N 2 0 307.526 2.818 20 0 DFADRP COC1([C@@H](C)[NH2+]CCC[NH+](C(C)C)C(C)C)CCOCC1 ZINC000453115524 298063258 /nfs/dbraw/zinc/06/32/58/298063258.db2.gz IDFYHGJZUYXQHE-MRXNPFEDSA-N 2 0 300.487 2.669 20 0 DFADRP C[C@H](O)CC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H]2CCC[C@H]21 ZINC000453124715 298065142 /nfs/dbraw/zinc/06/51/42/298065142.db2.gz OWTZUMMTUIKCBY-KANFNMMFSA-N 2 0 302.462 2.790 20 0 DFADRP OC1(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]3CCC[C@@H]32)CCC1 ZINC000453122619 298065277 /nfs/dbraw/zinc/06/52/77/298065277.db2.gz YDLWWNQWWZYIAR-GUDVDZBRSA-N 2 0 314.473 2.934 20 0 DFADRP CC[C@H]([NH2+]Cc1ccnc(OCC[NH+](C)C)c1)c1ccncc1 ZINC000453175122 298068555 /nfs/dbraw/zinc/06/85/55/298068555.db2.gz LGYFJCOINIARSH-KRWDZBQOSA-N 2 0 314.433 2.658 20 0 DFADRP CC[C@@H](CO)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H]2CCC[C@H]21 ZINC000453198338 298071003 /nfs/dbraw/zinc/07/10/03/298071003.db2.gz NYFIBCWOHZIYLZ-INDMIFKZSA-N 2 0 302.462 2.790 20 0 DFADRP OCC1(CC[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)CC1 ZINC000453333314 298083720 /nfs/dbraw/zinc/08/37/20/298083720.db2.gz GNVPBAMNNQLMSB-REPLKXPHSA-N 2 0 314.473 2.934 20 0 DFADRP C[N@@H+]1CC[C@H]([NH2+][C@@H]2CCO[C@H](c3ccncc3)C2)[C@@H]2CCC[C@@H]21 ZINC000453335011 298084294 /nfs/dbraw/zinc/08/42/94/298084294.db2.gz FEISPFPRYZCSIK-BCYZHJNNSA-N 2 0 315.461 2.764 20 0 DFADRP C[N@H+](CCCC[NH2+]C1CCN(C(=O)CC(C)(C)C)CC1)C1CC1 ZINC000453390745 298089156 /nfs/dbraw/zinc/08/91/56/298089156.db2.gz DLBZSHOFVLUTIU-UHFFFAOYSA-N 2 0 323.525 2.878 20 0 DFADRP C[C@@H](CC(=O)N1CCCCCC1)[NH2+]CCCC[N@H+](C)C1CC1 ZINC000453397966 298090117 /nfs/dbraw/zinc/09/01/17/298090117.db2.gz KFJZZSTXUUTTNO-INIZCTEOSA-N 2 0 309.498 2.632 20 0 DFADRP O[C@H]1CCC[C@@H]1C[NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]12 ZINC000453625930 298106525 /nfs/dbraw/zinc/10/65/25/298106525.db2.gz FPXBIJQOPIUBCJ-OBKDMQGPSA-N 2 0 314.473 2.648 20 0 DFADRP Cc1cc(C)c(CNC(=O)NCC2(C[NH+](C)C)CCCC2)cn1 ZINC000454865512 298257956 /nfs/dbraw/zinc/25/79/56/298257956.db2.gz AUBUKXOIGJRXFJ-UHFFFAOYSA-N 2 0 318.465 2.620 20 0 DFADRP CC[C@@H]([NH2+][C@@H](C)CCC[NH3+])[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000496179428 300026441 /nfs/dbraw/zinc/02/64/41/300026441.db2.gz QZUXLYKIYRDNAR-RRFJBIMHSA-N 2 0 313.486 2.882 20 0 DFADRP C[C@H]1C[C@H](C[N@H+](C)CCCN(C)C(=O)OC(C)(C)C)CC[NH2+]1 ZINC000497123577 300165036 /nfs/dbraw/zinc/16/50/36/300165036.db2.gz CLFADHXBOSVXCM-LSDHHAIUSA-N 2 0 313.486 2.563 20 0 DFADRP C[C@H]([NH2+][C@@H](C)[C@@H]1CCC[NH2+]C1)c1cccc(N2CCOC2=O)c1 ZINC000497249163 300182348 /nfs/dbraw/zinc/18/23/48/300182348.db2.gz FQTRAFXDZXXIDK-OFQRWUPVSA-N 2 0 317.433 2.682 20 0 DFADRP CC[N@@H+]1CC[C@@H]([NH2+]CCc2cc(F)c(F)c(F)c2)[C@@H](C)C1 ZINC000507482244 300235670 /nfs/dbraw/zinc/23/56/70/300235670.db2.gz QHQFXYWURBFKSQ-XHDPSFHLSA-N 2 0 300.368 2.966 20 0 DFADRP C[C@H]1C[C@H](CC[NH2+]CC2(C)COC2)C[N@@H+]1Cc1ccccc1 ZINC000512044626 300252122 /nfs/dbraw/zinc/25/21/22/300252122.db2.gz GYVMOZYXUAAMGE-WMZOPIPTSA-N 2 0 302.462 2.913 20 0 DFADRP CN1CC[C@H]([NH2+][C@@H]2CCC[C@@H]([NH3+])C2)[C@@H]1c1ccc(F)c(F)c1 ZINC000514614767 300262507 /nfs/dbraw/zinc/26/25/07/300262507.db2.gz JULHCAFRHFQNAS-OMNBBPDLSA-N 2 0 309.404 2.570 20 0 DFADRP C[C@@H]([NH2+]CCc1nc2ccccc2n1C(F)F)[C@@H]1CCC[NH2+]C1 ZINC000514667612 300265340 /nfs/dbraw/zinc/26/53/40/300265340.db2.gz AITUUPRQHRTBNH-CHWSQXEVSA-N 2 0 322.403 2.952 20 0 DFADRP C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC000514730207 300268608 /nfs/dbraw/zinc/26/86/08/300268608.db2.gz KAQGPIOSMKFHQZ-CRAIPNDOSA-N 2 0 321.509 2.582 20 0 DFADRP [NH3+][C@@H](CCC(=O)N1CC[C@H]([NH+]2CCCC2)C1)CC1CCCCC1 ZINC000515057245 300287915 /nfs/dbraw/zinc/28/79/15/300287915.db2.gz WOEFIRUGHSXBJY-ROUUACIJSA-N 2 0 321.509 2.761 20 0 DFADRP c1nc([C@H]2CCCO2)sc1CN1CC[C@]2(C1)CCC[NH2+]C2 ZINC000515845837 300322743 /nfs/dbraw/zinc/32/27/43/300322743.db2.gz UVLWPGMKOVABMA-GDBMZVCRSA-N 2 0 307.463 2.570 20 0 DFADRP C[C@@H](C[NH2+]C[C@H](O)Cc1cccc(Cl)c1)C[NH+]1CCCCC1 ZINC000516275110 300337900 /nfs/dbraw/zinc/33/79/00/300337900.db2.gz GYPGXYDXNRDSME-MAUKXSAKSA-N 2 0 324.896 2.955 20 0 DFADRP C[C@H](C[NH2+]C[C@@H](O)Cc1cccc(Cl)c1)C[NH+]1CCCCC1 ZINC000516275111 300337940 /nfs/dbraw/zinc/33/79/40/300337940.db2.gz GYPGXYDXNRDSME-QAPCUYQASA-N 2 0 324.896 2.955 20 0 DFADRP C[C@H]([NH2+]C[C@@H](c1c(F)cccc1F)N(C)C)[C@@H]1CCC[NH2+]C1 ZINC000516273769 300338010 /nfs/dbraw/zinc/33/80/10/300338010.db2.gz QJIQFSQBIDSOMD-ZENOOKHLSA-N 2 0 311.420 2.545 20 0 DFADRP C[C@H](C[NH2+][C@H]1CCC[C@@H]1C[NH3+])c1nc(-c2ccccc2)no1 ZINC000516450508 300342676 /nfs/dbraw/zinc/34/26/76/300342676.db2.gz XOOTWIKPMADSRQ-YUELXQCFSA-N 2 0 300.406 2.557 20 0 DFADRP COc1ccc([C@@H](NCC2([NH3+])CCCCC2)[C@@H]2CCC[NH2+]2)cc1 ZINC000516449632 300342697 /nfs/dbraw/zinc/34/26/97/300342697.db2.gz ADVTURCZTIVKCX-ZWKOTPCHSA-N 2 0 317.477 2.740 20 0 DFADRP C[C@H](C[NH2+][C@@H](C)[C@H]1CCC[NH2+]C1)c1nc(-c2ccccc2)no1 ZINC000516861497 300364189 /nfs/dbraw/zinc/36/41/89/300364189.db2.gz QHWKOUNODQQUCN-YCPHGPKFSA-N 2 0 314.433 2.818 20 0 DFADRP CC[C@H](O)C[NH2+]C[C@H]1CCN(C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000517025359 300377821 /nfs/dbraw/zinc/37/78/21/300377821.db2.gz OTFNTEKALLBGCP-WWGRRREGSA-N 2 0 314.832 2.832 20 0 DFADRP OC1(C[NH2+][C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)CCCCC1 ZINC000517553751 300399196 /nfs/dbraw/zinc/39/91/96/300399196.db2.gz RLCSSWNNMVAFNW-APWZRJJASA-N 2 0 316.445 2.527 20 0 DFADRP Cc1nccn1-c1ccc(C[NH2+][C@@H](C)[C@H]2CCC[NH2+]C2)cc1F ZINC000518753836 300430583 /nfs/dbraw/zinc/43/05/83/300430583.db2.gz ODLQPYDGOOELEZ-BBRMVZONSA-N 2 0 316.424 2.798 20 0 DFADRP COc1ccc(C[C@H](C)[NH2+]Cc2ccc(C[NH3+])cc2)cc1OC ZINC000520406420 300496168 /nfs/dbraw/zinc/49/61/68/300496168.db2.gz FDBIWIBYEIYEPZ-AWEZNQCLSA-N 2 0 314.429 2.883 20 0 DFADRP c1ccc(CC[NH+]2CCC(N[C@@H]3CC[NH2+]C34CCC4)CC2)cc1 ZINC000530177163 301025918 /nfs/dbraw/zinc/02/59/18/301025918.db2.gz ICDCXYWZRVGDKV-LJQANCHMSA-N 2 0 313.489 2.568 20 0 DFADRP CO[C@@H](Cc1ccc(F)cc1)C[N@H+](C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000530216926 301030320 /nfs/dbraw/zinc/03/03/20/301030320.db2.gz DKEWDHMCMZVDPX-WFFDWFOESA-N 2 0 306.425 2.598 20 0 DFADRP CO[C@@H](C[NH+]1CCC([C@H]2CC[NH2+]C2)CC1)c1ccc(F)cc1 ZINC000530218383 301030409 /nfs/dbraw/zinc/03/04/09/301030409.db2.gz FSUCFHGFFXTSDK-WMZOPIPTSA-N 2 0 306.425 2.835 20 0 DFADRP CCC(F)(F)C(C)(C)C[NH2+][C@@H]1CCOC[C@H]1[C@H]1CCC[NH2+]1 ZINC000530219514 301031050 /nfs/dbraw/zinc/03/10/50/301031050.db2.gz QAWBHZLFQHEFMM-BFHYXJOUSA-N 2 0 304.425 2.805 20 0 DFADRP C[NH+](C)C[C@H](NC1CC[NH2+]CC1)c1ccc(Cl)c(Cl)c1 ZINC000530224073 301031677 /nfs/dbraw/zinc/03/16/77/301031677.db2.gz KVFOGMCLQIYBTB-HNNXBMFYSA-N 2 0 316.276 2.938 20 0 DFADRP C[C@@H](C[NH+]1CCC(CO[C@@H]2CC[NH2+]C2)CC1)c1ccccc1 ZINC000530249794 301033975 /nfs/dbraw/zinc/03/39/75/301033975.db2.gz YVZOHXQANBZJLD-QFBILLFUSA-N 2 0 302.462 2.881 20 0 DFADRP COc1cc(C)ccc1[C@@H](C)[NH2+]C[C@H](C)CN1CC[NH+](C)CC1 ZINC000531704466 301105259 /nfs/dbraw/zinc/10/52/59/301105259.db2.gz PUBFGCUJBAVOMY-DLBZAZTESA-N 2 0 319.493 2.538 20 0 DFADRP C[C@H]1CC[N@H+](CCNC2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000531729117 301106375 /nfs/dbraw/zinc/10/63/75/301106375.db2.gz ZHSFCDCZWFZVCN-SFHVURJKSA-N 2 0 315.505 2.625 20 0 DFADRP O[C@@H]1CCC[C@@H]1[NH+]1CCC([NH2+]Cc2cccc3cc[nH]c32)CC1 ZINC000532627221 301163653 /nfs/dbraw/zinc/16/36/53/301163653.db2.gz FUFVKURMWPSEGG-ZWKOTPCHSA-N 2 0 313.445 2.635 20 0 DFADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C[C@H]1CCCCC1(C)C ZINC000532790657 301172006 /nfs/dbraw/zinc/17/20/06/301172006.db2.gz VMZRHRKOQLWBOD-MRXNPFEDSA-N 2 0 311.514 2.545 20 0 DFADRP CC(C)[N@H+](C)CC1CC[NH+]([C@H](C)C(=O)NC2CCCCC2)CC1 ZINC000533271095 301193848 /nfs/dbraw/zinc/19/38/48/301193848.db2.gz YYSCPCGZWJBRIE-MRXNPFEDSA-N 2 0 323.525 2.876 20 0 DFADRP C[N@@H+]1CCC[C@@H]1CC[NH+]1CCC[C@H](CC(=O)OC(C)(C)C)C1 ZINC000534315753 301227675 /nfs/dbraw/zinc/22/76/75/301227675.db2.gz VEQNCOBPPAHTKY-HZPDHXFCSA-N 2 0 310.482 2.915 20 0 DFADRP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@H](C)c1ccc(Cl)c(F)c1 ZINC000535777332 301260272 /nfs/dbraw/zinc/26/02/72/301260272.db2.gz AYNGOPUOIYVMCG-CHWSQXEVSA-N 2 0 313.848 2.766 20 0 DFADRP Cc1[nH]nc2ncc(C[NH+]3CCC(C[N@@H+](C)C(C)C)CC3)cc12 ZINC000535815219 301262663 /nfs/dbraw/zinc/26/26/63/301262663.db2.gz HHBLEDBDKHKBIJ-UHFFFAOYSA-N 2 0 315.465 2.819 20 0 DFADRP CCc1ccc(C[N@H+]2CC[C@H](N3CC[NH+](CC)CC3)C2)s1 ZINC000535837139 301263698 /nfs/dbraw/zinc/26/36/98/301263698.db2.gz JGTMZFYIIKISFU-HNNXBMFYSA-N 2 0 307.507 2.522 20 0 DFADRP CCC[N@H+](CC)Cc1ccc(C(=O)N(C)CCC[NH+](C)C)cc1 ZINC000539417341 301342223 /nfs/dbraw/zinc/34/22/23/301342223.db2.gz RALRAIALBWJBHI-UHFFFAOYSA-N 2 0 319.493 2.942 20 0 DFADRP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+]CC[C@@H]1CCO[C@@H](C)C1 ZINC000541370258 301385300 /nfs/dbraw/zinc/38/53/00/301385300.db2.gz ZTNISYYDVKOQCP-GOEBONIOSA-N 2 0 314.433 2.871 20 0 DFADRP Cc1nn(-c2cc[nH+]cc2)cc1C[NH+]1CCC(c2ncc[nH]2)CC1 ZINC000541536845 301388874 /nfs/dbraw/zinc/38/88/74/301388874.db2.gz RBSGREKAERIPKJ-UHFFFAOYSA-N 2 0 322.416 2.678 20 0 DFADRP C[NH+](C)CCOc1ccc(CC[NH2+][C@@H]2CCC[C@H]3C[C@H]32)cc1 ZINC000549041313 301627729 /nfs/dbraw/zinc/62/77/29/301627729.db2.gz UBIIQZXPIINDDF-QXAKKESOSA-N 2 0 302.462 2.948 20 0 DFADRP [NH3+][C@H]1CCO[C@@H](C2CC[NH+](Cc3cnc(C4CC4)s3)CC2)C1 ZINC000556963840 301822618 /nfs/dbraw/zinc/82/26/18/301822618.db2.gz LXPOWABJUWTMKZ-GOEBONIOSA-N 2 0 321.490 2.739 20 0 DFADRP C[C@@H]([NH2+][C@H]1CC[C@H](O)CC1)c1cccc(OCC[NH+](C)C)c1 ZINC000560908064 301918084 /nfs/dbraw/zinc/91/80/84/301918084.db2.gz IPBJGPSJTRKDBD-DJIMGWMZSA-N 2 0 306.450 2.581 20 0 DFADRP Cc1cc(=O)[nH]c([C@@H](C)[NH+]2CCC(C[N@@H+](C)C(C)C)CC2)n1 ZINC000562943239 302015693 /nfs/dbraw/zinc/01/56/93/302015693.db2.gz IVGRWZBENYQCQX-CQSZACIVSA-N 2 0 306.454 2.604 20 0 DFADRP [NH3+]C[C@H]1CC[C@H](C[NH2+][C@@H]2CCC(=O)Nc3ccccc32)CC1 ZINC000562962319 302018613 /nfs/dbraw/zinc/01/86/13/302018613.db2.gz VRGQXALWMJQSIQ-IIAWOOMASA-N 2 0 301.434 2.815 20 0 DFADRP c1cc(N2CCC(C[NH2+]Cc3ccc4c(n3)CCC4)CC2)cc[nH+]1 ZINC000563111458 302038588 /nfs/dbraw/zinc/03/85/88/302038588.db2.gz HMEUXDYVJSLQRG-UHFFFAOYSA-N 2 0 322.456 2.972 20 0 DFADRP COc1cccc(CCC[NH+]2CCC([C@@H]3CC[NH2+]C3)CC2)c1 ZINC000563149470 302041645 /nfs/dbraw/zinc/04/16/45/302041645.db2.gz CTYDWQSROMAYRJ-GOSISDBHSA-N 2 0 302.462 2.949 20 0 DFADRP COCC[NH2+]C1CCN(Cc2cc(C)c3ncccc3c2)CC1 ZINC000563232026 302053173 /nfs/dbraw/zinc/05/31/73/302053173.db2.gz UOAXYYCVEMNJEQ-UHFFFAOYSA-N 2 0 313.445 2.744 20 0 DFADRP CC[NH+]1CCN(c2ccc(N[C@H]3CCC[C@H]([NH3+])C3)c(C)c2)CC1 ZINC000563425025 302071542 /nfs/dbraw/zinc/07/15/42/302071542.db2.gz ODYXVDSKGFRIBH-IRXDYDNUSA-N 2 0 316.493 2.819 20 0 DFADRP Cc1ncc(C[NH2+][C@@H]2CCN(C)[C@H]2c2ccc(Cl)cc2)n1C ZINC000563438701 302073187 /nfs/dbraw/zinc/07/31/87/302073187.db2.gz HQOCACJHIACATD-SJORKVTESA-N 2 0 318.852 2.917 20 0 DFADRP CCc1ccccc1[C@@H]([NH3+])CNC1CC[NH+](CC2CC2)CC1 ZINC000563446005 302073611 /nfs/dbraw/zinc/07/36/11/302073611.db2.gz ARXMHSPAWFULMP-IBGZPJMESA-N 2 0 301.478 2.713 20 0 DFADRP C[C@@H]([NH2+]CCc1nc(-c2ccccn2)cs1)[C@@H]1CCC[NH2+]C1 ZINC000563446118 302073654 /nfs/dbraw/zinc/07/36/54/302073654.db2.gz WBHNJSKKDCOLEK-ZIAGYGMSSA-N 2 0 316.474 2.725 20 0 DFADRP C[C@H]([NH2+]CCCC[NH+]1CCN(C)CC1)[C@@H]1C[C@H]1c1cccs1 ZINC000563571522 302083456 /nfs/dbraw/zinc/08/34/56/302083456.db2.gz BSZQWQNIBFBCIU-YESZJQIVSA-N 2 0 321.534 2.857 20 0 DFADRP CC[NH2+]Cc1cccc(NC(=O)C[C@H]([NH3+])Cc2ccccc2)c1 ZINC000563583144 302084330 /nfs/dbraw/zinc/08/43/30/302084330.db2.gz UYLFBKXZVULNCO-QGZVFWFLSA-N 2 0 311.429 2.695 20 0 DFADRP [NH3+]CCC[N@H+](Cc1ccccc1)Cc1ccc2c(c1)C[NH2+]CC2 ZINC000563725051 302095577 /nfs/dbraw/zinc/09/55/77/302095577.db2.gz RYRUOOVZWPFUEV-UHFFFAOYSA-N 3 0 309.457 2.683 20 0 DFADRP CN(CCC[N@H+](C)Cc1cc2ccc(F)cc2[nH]1)CC[NH+](C)C ZINC000563967120 302112483 /nfs/dbraw/zinc/11/24/83/302112483.db2.gz XPAVFGFTRIRACP-UHFFFAOYSA-N 2 0 320.456 2.622 20 0 DFADRP Cn1ccc(CC[NH2+][C@@H]2CCN(Cc3ccccc3)C3(CC3)C2)n1 ZINC000564655965 302148130 /nfs/dbraw/zinc/14/81/30/302148130.db2.gz PLGHJCZWYWMQPQ-LJQANCHMSA-N 2 0 324.472 2.749 20 0 DFADRP C[C@H](c1ccncc1)N1CCC([NH2+][C@@H](C)[C@H]2CCC[NH2+]C2)CC1 ZINC000564714024 302152680 /nfs/dbraw/zinc/15/26/80/302152680.db2.gz RRXRVYBJXYNWJB-JZXOWHBKSA-N 2 0 316.493 2.585 20 0 DFADRP COc1ccc([C@@H](C[NH3+])C[N@H+](C)Cc2cccc(O)c2)cc1 ZINC000564719243 302153221 /nfs/dbraw/zinc/15/32/21/302153221.db2.gz XRQMHVBENTXHKI-INIZCTEOSA-N 2 0 300.402 2.575 20 0 DFADRP COc1cc(C[NH2+]C2CCC(C[NH3+])CC2)ccc1OC(F)F ZINC000564823757 302161109 /nfs/dbraw/zinc/16/11/09/302161109.db2.gz GWZGJIOBSJORHK-UHFFFAOYSA-N 2 0 314.376 2.904 20 0 DFADRP C[C@H]([NH2+]CCN1CCc2c(Cl)cccc2C1)[C@@H]1CCC[NH2+]C1 ZINC000564826094 302161511 /nfs/dbraw/zinc/16/15/11/302161511.db2.gz AZNIDCAQGFTLLG-LSDHHAIUSA-N 2 0 321.896 2.676 20 0 DFADRP c1cc(OCC[NH+]2CCCCC2)ccc1OCC[C@@H]1CC[NH2+]C1 ZINC000564840914 302163032 /nfs/dbraw/zinc/16/30/32/302163032.db2.gz YLQBVJYQEQOYMM-KRWDZBQOSA-N 2 0 318.461 2.930 20 0 DFADRP CC(C)[N@@H+]1CCC[C@@H](C[NH2+]C[C@@H](O)CCc2ccccc2)C1 ZINC000564846887 302163403 /nfs/dbraw/zinc/16/34/03/302163403.db2.gz UUOSPROQJAUFQH-OALUTQOASA-N 2 0 304.478 2.690 20 0 DFADRP CC(C)C[N@@H+]1CC[C@H](C[NH2+]CCC(=O)Nc2cccc(F)c2)C1 ZINC000564847817 302163542 /nfs/dbraw/zinc/16/35/42/302163542.db2.gz BXOHLHVRVWSYJT-OAHLLOKOSA-N 2 0 321.440 2.722 20 0 DFADRP CC(C)[NH+](CCCNC(=O)[C@@H](C)[C@H]([NH3+])c1ccccc1)C(C)C ZINC000564924699 302173976 /nfs/dbraw/zinc/17/39/76/302173976.db2.gz NYINMWYERLXTHC-WMZOPIPTSA-N 2 0 319.493 2.948 20 0 DFADRP CC[NH+](CC)Cc1ccc(C[NH2+]Cc2cnc(C)n2C)cc1 ZINC000565242516 302212721 /nfs/dbraw/zinc/21/27/21/302212721.db2.gz OXIPEONFIJMAKH-UHFFFAOYSA-N 2 0 300.450 2.860 20 0 DFADRP Cc1c(F)cccc1NC(=O)CC[NH2+][C@@H](C)C1=CC[N@H+](C)CC1 ZINC000565299137 302216373 /nfs/dbraw/zinc/21/63/73/302216373.db2.gz HATMCVSZFMXENL-AWEZNQCLSA-N 2 0 319.424 2.703 20 0 DFADRP CN(CC[C@H]1CCCC[N@@H+]1C)Cc1ccc2c(c1)C[NH2+]CC2 ZINC000565657169 302235616 /nfs/dbraw/zinc/23/56/16/302235616.db2.gz BRMMVCFMYOXMTD-LJQANCHMSA-N 2 0 301.478 2.639 20 0 DFADRP CCc1ccc([C@@H](CNC(=O)[C@@H]2CCCCC[NH2+]2)[NH+](C)C)cc1 ZINC000566011857 302253324 /nfs/dbraw/zinc/25/33/24/302253324.db2.gz IIHPFVDHQWAFDK-ZWKOTPCHSA-N 2 0 317.477 2.500 20 0 DFADRP C[N@H+](Cc1ccc2c(c1)OCO2)Cc1ccc2c(c1)C[NH2+]CC2 ZINC000566014772 302253630 /nfs/dbraw/zinc/25/36/30/302253630.db2.gz SCLGMHCHAKTLFY-UHFFFAOYSA-N 2 0 310.397 2.693 20 0 DFADRP Cc1cc(C)n(-c2ccccc2C[NH2+][C@@H](C)[C@@H]2CCC[NH2+]C2)n1 ZINC000566056383 302256045 /nfs/dbraw/zinc/25/60/45/302256045.db2.gz XYNFBWZNALXXSI-DLBZAZTESA-N 2 0 312.461 2.967 20 0 DFADRP CCOC(=O)[C@@H]1CC[C@H]([NH2+]CC2CC[NH2+]CC2)c2ccccc21 ZINC000566087980 302258187 /nfs/dbraw/zinc/25/81/87/302258187.db2.gz JCVYSXHYJGGHJO-MSOLQXFVSA-N 2 0 316.445 2.757 20 0 DFADRP C[C@@H](C[NH2+]C[C@H](O)CCc1ccccc1)C[NH+]1CCCCC1 ZINC000566106372 302259793 /nfs/dbraw/zinc/25/97/93/302259793.db2.gz NSZAWUCLZNBWQE-PKOBYXMFSA-N 2 0 304.478 2.692 20 0 DFADRP CCC1(C)CCC([NH2+][C@@H]2CCC(=O)N[C@H]2C2CC[NH2+]CC2)CC1 ZINC000566608389 302298840 /nfs/dbraw/zinc/29/88/40/302298840.db2.gz QAZCVQIMGZKQEL-YDXUJSMASA-N 2 0 321.509 2.582 20 0 DFADRP C[C@H]([NH2+][C@H]1CCc2nc[nH]c2C1)c1ccc(-n2cccn2)cc1 ZINC000566708869 302305473 /nfs/dbraw/zinc/30/54/73/302305473.db2.gz ZSOZUAHOZSZPJX-ZFWWWQNUSA-N 2 0 307.401 2.804 20 0 DFADRP CCc1cccc(C[NH2+]Cc2ccnc(OCC[NH+](C)C)c2)c1 ZINC000566918537 302322912 /nfs/dbraw/zinc/32/29/12/302322912.db2.gz MWCLIBPTFVPCCS-UHFFFAOYSA-N 2 0 313.445 2.874 20 0 DFADRP CN1CC[NH+](CCCC[NH2+][C@@H]2CCCNc3ccccc32)CC1 ZINC000567280652 302347397 /nfs/dbraw/zinc/34/73/97/302347397.db2.gz MWULUDWDAXLJKQ-LJQANCHMSA-N 2 0 316.493 2.551 20 0 DFADRP Cc1ccc(NC(=O)C[C@@H](C)[NH2+]CC2CC[NH2+]CC2)c(C)c1 ZINC000567638512 302375313 /nfs/dbraw/zinc/37/53/13/302375313.db2.gz ODFIDUPFQSDRKC-OAHLLOKOSA-N 2 0 303.450 2.610 20 0 DFADRP [NH3+]CC1CCC([NH2+][C@@H]2CC(=O)N(c3ccccc3Cl)C2)CC1 ZINC000567646042 302375788 /nfs/dbraw/zinc/37/57/88/302375788.db2.gz PNDBUTBYTMTYEO-JXQTWKCFSA-N 2 0 321.852 2.552 20 0 DFADRP O[C@H](C[NH2+]Cc1cccc(C[NH+]2CCCC2)c1)Cc1ccccc1 ZINC000567677410 302378576 /nfs/dbraw/zinc/37/85/76/302378576.db2.gz VIZIGUOJJRRAEY-NRFANRHFSA-N 2 0 324.468 2.976 20 0 DFADRP Cc1ccc(C)c(OC[C@@H](O)C[NH2+]C2CCC([NH+](C)C)CC2)c1 ZINC000567692790 302380796 /nfs/dbraw/zinc/38/07/96/302380796.db2.gz CVDAWBRBFJNZRV-ABHNRTSZSA-N 2 0 320.477 2.506 20 0 DFADRP [NH3+][C@@H]1CCC[C@@H]([NH2+]Cc2cccc(COC3CCOCC3)c2)C1 ZINC000567915076 302398386 /nfs/dbraw/zinc/39/83/86/302398386.db2.gz GFZZWIQCDQGYKB-QZTJIDSGSA-N 2 0 318.461 2.742 20 0 DFADRP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)Nc1ccc(C[NH+]2CCCC2)cc1 ZINC000568507925 302455495 /nfs/dbraw/zinc/45/54/95/302455495.db2.gz PCQWUSNYZJPCKL-IRXDYDNUSA-N 2 0 301.434 2.609 20 0 DFADRP C[C@@H](CCc1n[nH]c2ccccc21)[NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000571178092 302607845 /nfs/dbraw/zinc/60/78/45/302607845.db2.gz KMBABTINXHPDHR-IYJAJMOOSA-N 2 0 312.461 2.862 20 0 DFADRP CC[NH2+]CCC[NH2+][C@@H](C)c1ccc(NC(=O)NC(C)C)cc1 ZINC000572026503 302640620 /nfs/dbraw/zinc/64/06/20/302640620.db2.gz NYXJIZXQZBFINK-AWEZNQCLSA-N 2 0 306.454 2.867 20 0 DFADRP Cc1nn2c(C[NH2+][C@@H]3CCCC[C@@H]3C[NH3+])c(C(C)C)nc2s1 ZINC000572970150 302687075 /nfs/dbraw/zinc/68/70/75/302687075.db2.gz XXBDYBMKMXJKJD-CHWSQXEVSA-N 2 0 321.494 2.830 20 0 DFADRP CN1CC[NH+](CCCC[NH2+][C@@H]2CS[C@H](C(C)(C)C)C2)CC1 ZINC000573776926 302722426 /nfs/dbraw/zinc/72/24/26/302722426.db2.gz CQMFDTDVFNVAPY-HOTGVXAUSA-N 2 0 313.555 2.524 20 0 DFADRP C[C@H]([NH2+]C[C@@H]1CCN(c2ccccc2F)C1)[C@@H]1CCC[NH2+]C1 ZINC000574307560 302752182 /nfs/dbraw/zinc/75/21/82/302752182.db2.gz ISQNBPNVJHMJMG-HRCADAONSA-N 2 0 305.441 2.630 20 0 DFADRP Cn1cc(C[N@H+](C)CC2CC[NH+](C)CC2)c(-c2cccs2)n1 ZINC000180054945 316025408 /nfs/dbraw/zinc/02/54/08/316025408.db2.gz WOPNJIGILGAOMC-UHFFFAOYSA-N 2 0 318.490 2.922 20 0 DFADRP CC[NH+]1CCN([C@H](C)C[NH2+][C@H]2CCCc3cc(F)ccc32)CC1 ZINC000182428477 316102228 /nfs/dbraw/zinc/10/22/28/316102228.db2.gz IYOSBBIHOQXPCE-BEFAXECRSA-N 2 0 319.468 2.819 20 0 DFADRP CC[NH+](CC)CCCC1CC[NH+](CC(=O)NC2CCCC2)CC1 ZINC000182778730 316117760 /nfs/dbraw/zinc/11/77/60/316117760.db2.gz UMIFQIWAERPSQP-UHFFFAOYSA-N 2 0 323.525 2.879 20 0 DFADRP CC[NH+](CC)[C@H](CNc1cc[nH+]cc1C(N)=O)c1ccccc1 ZINC000184039660 316157822 /nfs/dbraw/zinc/15/78/22/316157822.db2.gz RQCWGBBSOJOIMI-QGZVFWFLSA-N 2 0 312.417 2.676 20 0 DFADRP C[NH+](C)Cc1ccc(NC(=O)[C@@H]2C[NH2+]Cc3ccccc32)cc1 ZINC000321067982 316255974 /nfs/dbraw/zinc/25/59/74/316255974.db2.gz BZXCFMJAFLVPAQ-GOSISDBHSA-N 2 0 309.413 2.574 20 0 DFADRP C[NH+](C)CCOC1CC[NH+](C/C=C\c2ccc(F)cc2)CC1 ZINC000353523974 316532672 /nfs/dbraw/zinc/53/26/72/316532672.db2.gz YWVVZWJBJRFCRC-ARJAWSKDSA-N 2 0 306.425 2.882 20 0 DFADRP CO[C@@](C)([C@H](C)[NH2+]C1CCN(c2cc[nH+]cc2)CC1)C1CC1 ZINC000414498667 316611185 /nfs/dbraw/zinc/61/11/85/316611185.db2.gz INBARJHBXKTIHM-KSSFIOAISA-N 2 0 303.450 2.844 20 0 DFADRP c1ccc([C@@H]2CCCC[C@@H]([NH2+]CCCN3CC[NH2+]CC3)C2)cc1 ZINC000414775488 316650887 /nfs/dbraw/zinc/65/08/87/316650887.db2.gz CUGVIKDANYJPNX-WOJBJXKFSA-N 2 0 315.505 2.988 20 0 DFADRP [NH3+][C@@H]1CCO[C@H]1C1CC[NH+](Cc2ccc(F)c(Cl)c2)CC1 ZINC000414777401 316651162 /nfs/dbraw/zinc/65/11/62/316651162.db2.gz FDTCBLCNCLDVMV-CVEARBPZSA-N 2 0 312.816 2.807 20 0 DFADRP Cc1cc(C)c(C[NH+]2CCC([C@@H]3OCC[C@H]3[NH3+])CC2)cc1C ZINC000414779013 316651899 /nfs/dbraw/zinc/65/18/99/316651899.db2.gz GZFLIATVNQEXEL-MOPGFXCFSA-N 2 0 302.462 2.940 20 0 DFADRP c1ccc(CC[C@H]2CCC[C@@H]2[NH2+]CCCN2CC[NH2+]CC2)cc1 ZINC000414782284 316653939 /nfs/dbraw/zinc/65/39/39/316653939.db2.gz OMDBMDZXTAJBKD-UXHICEINSA-N 2 0 315.505 2.673 20 0 DFADRP COc1ccc(C[NH2+][C@@H]2CCC[C@H]2C[NH3+])cc1Br ZINC000414785901 316655859 /nfs/dbraw/zinc/65/58/59/316655859.db2.gz ABUXOHOHNLGDKB-WCQYABFASA-N 2 0 313.239 2.675 20 0 DFADRP [NH3+]C[C@H]1CCC[C@H]1[NH2+]Cc1ccc(OCc2ccccn2)cc1 ZINC000414792578 316659319 /nfs/dbraw/zinc/65/93/19/316659319.db2.gz CJHRXBVRLDMIEV-VQIMIIECSA-N 2 0 311.429 2.878 20 0 DFADRP CCOc1cc(C[NH2+][C@@H]2CCC[C@H]2C[NH3+])cc(Cl)c1OC ZINC000414801796 316663351 /nfs/dbraw/zinc/66/33/51/316663351.db2.gz UVKGALCMBWHYGJ-GXTWGEPZSA-N 2 0 312.841 2.964 20 0 DFADRP C[C@H](CCc1ccc2c(c1)OCO2)[NH2+][C@@H]1CCCC[C@@H]1C[NH3+] ZINC000414811045 316664867 /nfs/dbraw/zinc/66/48/67/316664867.db2.gz VZFUKIZCTARTSI-FVQBIDKESA-N 2 0 304.434 2.844 20 0 DFADRP C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)C1(C[NH+](C)C)CCCCC1 ZINC000426404168 316816522 /nfs/dbraw/zinc/81/65/22/316816522.db2.gz HMEWRFUHZMULLN-IAGOWNOFSA-N 2 0 323.525 2.878 20 0 DFADRP C[C@@H](c1ccccc1F)N(C)C(=O)CCC[NH+]1CCC([NH3+])CC1 ZINC000433114116 316877181 /nfs/dbraw/zinc/87/71/81/316877181.db2.gz FFXHIONJKQBIMP-AWEZNQCLSA-N 2 0 321.440 2.548 20 0 DFADRP [NH3+]C1CC[NH+](CCCC(=O)N[C@@H]2CC[C@H]3CCCC[C@@H]3C2)CC1 ZINC000433119182 316877866 /nfs/dbraw/zinc/87/78/66/316877866.db2.gz FHKAQCSTGUHSIW-JFIYKMOQSA-N 2 0 321.509 2.665 20 0 DFADRP C[C@@H]1CCN(C(=O)CCC[NH+]2CCC([NH3+])CC2)c2ccccc21 ZINC000433148187 316881376 /nfs/dbraw/zinc/88/13/76/316881376.db2.gz GAJCUGHAVDJKMA-OAHLLOKOSA-N 2 0 315.461 2.730 20 0 DFADRP [NH3+]C1CC[NH+](CCCC(=O)N2CCC[C@H]2c2ccccc2)CC1 ZINC000433147698 316881578 /nfs/dbraw/zinc/88/15/78/316881578.db2.gz ZRNMGJUSYJGYBG-SFHVURJKSA-N 2 0 315.461 2.553 20 0 DFADRP CC(C)[C@@H]1CCCC[C@@H]1NC(=O)CCC[NH+]1CCC([NH3+])CC1 ZINC000433157910 316883321 /nfs/dbraw/zinc/88/33/21/316883321.db2.gz OCJLEIAQBUUSPQ-IRXDYDNUSA-N 2 0 309.498 2.521 20 0 DFADRP CCCC[C@@H](NC(=O)CCC[NH+]1CCC([NH3+])CC1)C1CCC1 ZINC000433159488 316883415 /nfs/dbraw/zinc/88/34/15/316883415.db2.gz MBUYZMMCNFGBQD-QGZVFWFLSA-N 2 0 309.498 2.665 20 0 DFADRP Cc1ccccc1[C@@H](C)N(C)C(=O)CCC[NH+]1CCC([NH3+])CC1 ZINC000433170222 316884930 /nfs/dbraw/zinc/88/49/30/316884930.db2.gz VDMMCMNVNNKSKO-MRXNPFEDSA-N 2 0 317.477 2.718 20 0 DFADRP CCc1ccccc1NC(=O)C[C@@H](C)[NH2+]C1CCC([NH3+])CC1 ZINC000437773036 316935723 /nfs/dbraw/zinc/93/57/23/316935723.db2.gz LAOVNEUCPNSFPG-IUDNXUCKSA-N 2 0 303.450 2.826 20 0 DFADRP CC(C)[NH+]1CCC(O)(C[NH2+]C2CCC(C(F)F)CC2)CC1 ZINC000442769277 316943063 /nfs/dbraw/zinc/94/30/63/316943063.db2.gz PQAMYUXCGMYIDL-UHFFFAOYSA-N 2 0 304.425 2.635 20 0 DFADRP COC[C@@H]([NH2+]Cc1cccc(OCC[NH+](C)C)c1)C1CCCC1 ZINC000446740824 317021338 /nfs/dbraw/zinc/02/13/38/317021338.db2.gz HSKIRWYFYHKDEK-LJQANCHMSA-N 2 0 320.477 2.922 20 0 DFADRP C[C@H](O)CC[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000450500751 317099622 /nfs/dbraw/zinc/09/96/22/317099622.db2.gz LZEZPLZBXDJJLG-QXAKKESOSA-N 2 0 302.462 2.744 20 0 DFADRP C[C@H](O)CC[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000450500752 317099878 /nfs/dbraw/zinc/09/98/78/317099878.db2.gz LZEZPLZBXDJJLG-UHOSZYNNSA-N 2 0 302.462 2.744 20 0 DFADRP CC(C)[C@H](C[NH2+][C@H](C1CC1)C1CCCC1)N1CC[NH+](C)CC1 ZINC000453067471 317159094 /nfs/dbraw/zinc/15/90/94/317159094.db2.gz ANDVBYCRIVTQFQ-OALUTQOASA-N 2 0 307.526 2.817 20 0 DFADRP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@H]1CC[C@H](C)c2ccsc21 ZINC000453100661 317161868 /nfs/dbraw/zinc/16/18/68/317161868.db2.gz MPHLGWUMNHGYQW-LZWOXQAQSA-N 2 0 307.507 2.912 20 0 DFADRP CC[C@@H]([NH2+]C1CC[NH+](C[C@@H]2CCOC2)CC1)c1ccncc1 ZINC000453106439 317163486 /nfs/dbraw/zinc/16/34/86/317163486.db2.gz DKMPIQNVPFEWIV-MAUKXSAKSA-N 2 0 303.450 2.623 20 0 DFADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC1=CCOCC1 ZINC000453287317 317176029 /nfs/dbraw/zinc/17/60/29/317176029.db2.gz KVGKVHINRPQYDX-APWZRJJASA-N 2 0 300.446 2.833 20 0 DFADRP C[C@H]([NH2+][C@@H]1COCC1(C)C)c1ccc(OCC[NH+](C)C)cc1 ZINC000453386858 317181916 /nfs/dbraw/zinc/18/19/16/317181916.db2.gz WBQJWUTVLTZAHL-WMLDXEAASA-N 2 0 306.450 2.703 20 0 DFADRP CCC1(C[NH2+][C@@H](C)c2ccc(OCC[NH+](C)C)cc2)COC1 ZINC000453385645 317182482 /nfs/dbraw/zinc/18/24/82/317182482.db2.gz UZEXQTDSQIIELC-HNNXBMFYSA-N 2 0 306.450 2.704 20 0 DFADRP Cc1cnc(CC[NH2+][C@@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)cn1 ZINC000453394841 317182833 /nfs/dbraw/zinc/18/28/33/317182833.db2.gz HJGVBZYSJOJSLH-PKOBYXMFSA-N 2 0 324.472 2.828 20 0 DFADRP CCCC[N@H+](C)CC1CC[NH+](CCn2cc(Cl)cn2)CC1 ZINC000459300686 317314783 /nfs/dbraw/zinc/31/47/83/317314783.db2.gz KPSQVPBBCYUBLB-UHFFFAOYSA-N 2 0 312.889 2.980 20 0 DFADRP CC[NH+]1CCN([C@@H](C)C[NH2+]C2CC(C)(c3ccccc3)C2)CC1 ZINC000459365432 317321579 /nfs/dbraw/zinc/32/15/79/317321579.db2.gz BKJGIWHENLJZNT-KKXNLOMOSA-N 2 0 315.505 2.722 20 0 DFADRP CC[NH+]1CCN(Cc2ccccc2C[NH2+]C[C@H]2C[C@H]2C)CC1 ZINC000488420573 317391789 /nfs/dbraw/zinc/39/17/89/317391789.db2.gz WQMITKBMFNWGPN-VQIMIIECSA-N 2 0 301.478 2.570 20 0 DFADRP CC[NH+]1CCN([C@@H](C)C[NH2+]Cc2ccc3c(c2)CCCC3)CC1 ZINC000490558458 317523893 /nfs/dbraw/zinc/52/38/93/317523893.db2.gz SVPXPXKZRSGDAQ-KRWDZBQOSA-N 2 0 315.505 2.681 20 0 DFADRP C[C@@H](C[NH2+]Cc1ccc2c(c1)CCCC2)CN1CC[NH+](C)CC1 ZINC000490861215 317537155 /nfs/dbraw/zinc/53/71/55/317537155.db2.gz WEJOHPZLXISENF-KRWDZBQOSA-N 2 0 315.505 2.539 20 0 DFADRP CCC[C@@]1([NH2+]C/C=C\C[NH2+][C@@]2(CCC)CCOC2)CCOC1 ZINC000512284724 317700833 /nfs/dbraw/zinc/70/08/33/317700833.db2.gz CNHXNTPNVUBGNP-SPCWZHTESA-N 2 0 310.482 2.640 20 0 DFADRP c1cc2c(cccc2N2CC[NH+](CCC3CC[NH2+]CC3)CC2)[nH]1 ZINC000530231511 317777628 /nfs/dbraw/zinc/77/76/28/317777628.db2.gz IKTCVYRHKLZAQC-UHFFFAOYSA-N 2 0 312.461 2.680 20 0 DFADRP c1cc(CCC[NH+]2CCC(CO[C@@H]3CC[NH2+]C3)CC2)cs1 ZINC000530241822 317778347 /nfs/dbraw/zinc/77/83/47/317778347.db2.gz SAWKZWGYWRMRLY-QGZVFWFLSA-N 2 0 308.491 2.771 20 0 DFADRP COc1cc2c(cc1F)[nH+]ccc2N1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000571186782 317978925 /nfs/dbraw/zinc/97/89/25/317978925.db2.gz FXPIVJKKWHWQDG-NJZAAPMLSA-N 2 0 315.392 2.946 20 0 DFADRP CC(C)C[N@@H+]1CC[C@H](C[NH2+]CCC(=O)Nc2ccccc2)C1 ZINC000572751415 318002345 /nfs/dbraw/zinc/00/23/45/318002345.db2.gz HFUZMACKYZROSV-MRXNPFEDSA-N 2 0 303.450 2.583 20 0 DFADRP C[C@H]1CCCC[N@@H+]1CCC(=O)Nc1ccccc1C[NH+](C)C ZINC000572973745 318009852 /nfs/dbraw/zinc/00/98/52/318009852.db2.gz AMHFMXJUYUJJFA-HNNXBMFYSA-N 2 0 303.450 2.951 20 0 DFADRP Fc1ccc([C@@H]([NH2+]CC[C@H]2CCC[NH2+]C2)c2ncc[nH]2)cc1 ZINC000573555737 318021769 /nfs/dbraw/zinc/02/17/69/318021769.db2.gz YLQODQNCWXQVSX-CZUORRHYSA-N 2 0 302.397 2.618 20 0 DFADRP CCCN(CC[NH+]1CCCCCC1)C(=O)CCCC[NH+](C)C ZINC000574733293 318036711 /nfs/dbraw/zinc/03/67/11/318036711.db2.gz YJFOXDVUYFNDBC-UHFFFAOYSA-N 2 0 311.514 2.833 20 0 DFADRP C[C@H](CCc1n[nH]c2ccccc21)[NH2+]C[C@@H]1CCC[C@H]([NH3+])C1 ZINC000574739341 318037417 /nfs/dbraw/zinc/03/74/17/318037417.db2.gz MOKMWPLKPSFUGJ-KFWWJZLASA-N 2 0 300.450 2.991 20 0 DFADRP C[C@@H](NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1)C1C[NH2+]C1 ZINC000574748889 318037773 /nfs/dbraw/zinc/03/77/73/318037773.db2.gz PWVSMDRKWYIDAA-DYVFJYSZSA-N 2 0 307.869 2.674 20 0 DFADRP Fc1ccccc1-c1n[nH]cc1C[NH2+]CC[C@@H]1CCC[NH2+]C1 ZINC000575233094 318071771 /nfs/dbraw/zinc/07/17/71/318071771.db2.gz IUDVQZQPZJOTHC-ZDUSSCGKSA-N 2 0 302.397 2.695 20 0 DFADRP Cn1ccnc1[C@@H]([NH2+]C1CCC([NH3+])CC1)c1cccc(F)c1 ZINC000575914250 318091537 /nfs/dbraw/zinc/09/15/37/318091537.db2.gz ZAORLSBKCHWKPV-GPANFISMSA-N 2 0 302.397 2.508 20 0 DFADRP C[C@@H](CC[NH+](C)C)[NH2+]C[C@H](O)Cc1ccc(C(F)(F)F)cc1 ZINC000575917061 318091551 /nfs/dbraw/zinc/09/15/51/318091551.db2.gz HHZHFYHAUWJXQS-SWLSCSKDSA-N 2 0 318.383 2.539 20 0 DFADRP CC(C)[N@@H+]1CC[C@H](CNC(=O)C(C)(C)[C@@H]([NH3+])c2ccccc2)C1 ZINC000575984661 318096016 /nfs/dbraw/zinc/09/60/16/318096016.db2.gz BRLASLJXOJMYOF-WBVHZDCISA-N 2 0 317.477 2.559 20 0 DFADRP [NH3+][C@H]1CCC[C@H]([NH2+]Cc2cc(Cl)c3c(c2)OCCCO3)C1 ZINC000576010147 318098554 /nfs/dbraw/zinc/09/85/54/318098554.db2.gz PUYBKBLSJYYJDU-STQMWFEESA-N 2 0 310.825 2.861 20 0 DFADRP CN1CC[NH2+]C[C@@H]1CNCc1ccc(-c2ccc(Cl)cc2)o1 ZINC000576129650 318105857 /nfs/dbraw/zinc/10/58/57/318105857.db2.gz WHQSEOCSRDATQU-OAHLLOKOSA-N 2 0 319.836 2.593 20 0 DFADRP C[C@@H]([NH3+])c1ccc(CNC(=O)CC[C@@H]([NH3+])c2ccccc2)cc1 ZINC000576211895 318111269 /nfs/dbraw/zinc/11/12/69/318111269.db2.gz LOLAHILDANIYTR-RDTXWAMCSA-N 2 0 311.429 2.803 20 0 DFADRP C[C@@H](C[C@H]1CCCCC[NH2+]1)[NH2+]Cc1ccc(-n2cncn2)cc1 ZINC000576338060 318119313 /nfs/dbraw/zinc/11/93/13/318119313.db2.gz IINDKVLZXAWUMM-DOTOQJQBSA-N 2 0 313.449 2.668 20 0 DFADRP C[C@@H]1C[C@@H](C)C[NH+](CCCC[NH2+]C[C@@H](O)Cc2ccccc2)C1 ZINC000576457218 318127574 /nfs/dbraw/zinc/12/75/74/318127574.db2.gz AVUYPYQOXMLQAO-GGPKGHCWSA-N 2 0 318.505 2.938 20 0 DFADRP Cc1ccc(-c2noc(C[NH+]3CCC4(CC[NH2+]C4)CC3)n2)cc1 ZINC000576466542 318128142 /nfs/dbraw/zinc/12/81/42/318128142.db2.gz SGBVPBZQNUDWKU-UHFFFAOYSA-N 2 0 312.417 2.621 20 0 DFADRP C[C@@]1(C(=O)Nc2cccc3c2CN(c2ccccn2)C3)CCC[NH2+]1 ZINC000576696406 318143449 /nfs/dbraw/zinc/14/34/49/318143449.db2.gz LWIFBZVGRJIPJJ-IBGZPJMESA-N 2 0 322.412 2.682 20 0 DFADRP C[NH+](C)Cc1ccnc(NC(=O)CC[C@H]([NH3+])c2ccccc2)c1 ZINC000577061037 318168783 /nfs/dbraw/zinc/16/87/83/318168783.db2.gz XALQOJGVSFQTDB-INIZCTEOSA-N 2 0 312.417 2.562 20 0 DFADRP C[N@@H+]1CC[C@H]([NH2+][C@@H]2COc3cc(F)ccc3C2)[C@@H]2CCC[C@H]21 ZINC000577530544 318200032 /nfs/dbraw/zinc/20/00/32/318200032.db2.gz KCGHGYAVLQRCMF-LUKYLMHMSA-N 2 0 304.409 2.592 20 0 DFADRP CC1(C)[C@H](O)C[C@H]1[NH2+]Cc1cccc(C[NH+]2CCCCC2)c1 ZINC000577961383 318229476 /nfs/dbraw/zinc/22/94/76/318229476.db2.gz QQLVARKVAVVQAZ-QZTJIDSGSA-N 2 0 302.462 2.922 20 0 DFADRP COc1ccc([C@@H](C)[NH2+]CCCC[NH+]2CCN(C)CC2)c(C)c1 ZINC000578045054 318234520 /nfs/dbraw/zinc/23/45/20/318234520.db2.gz PRGXUSKMJQFPRR-QGZVFWFLSA-N 2 0 319.493 2.682 20 0 DFADRP O[C@@H](C[NH2+]CC1(C2CC2)CCC1)CN1CCc2ccccc2C1 ZINC000578187147 318243499 /nfs/dbraw/zinc/24/34/99/318243499.db2.gz RARDWRKDJGGRNF-IBGZPJMESA-N 2 0 314.473 2.576 20 0 DFADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+][C@H]1CCCO[C@@H]1c1cnn(C)c1 ZINC000578422953 318259287 /nfs/dbraw/zinc/25/92/87/318259287.db2.gz PZVUXDGWUSVRSW-LAVFITLUSA-N 2 0 320.481 2.541 20 0 DFADRP Cc1cccc(NC[C@@H]2CC[N@H+](C[C@@H]3CCCC[C@H]3O)C2)n1 ZINC000578421318 318259499 /nfs/dbraw/zinc/25/94/99/318259499.db2.gz KWYQRJWUVPIEKO-YESZJQIVSA-N 2 0 303.450 2.675 20 0 DFADRP Cc1nn(-c2ccccn2)c(C)c1C[NH2+]Cc1ccc(C[NH3+])cc1 ZINC000578506646 318265663 /nfs/dbraw/zinc/26/56/63/318265663.db2.gz UAQUAHAWLRQTIW-UHFFFAOYSA-N 2 0 321.428 2.633 20 0 DFADRP CC[C@H](C[NH2+]Cc1nc(C)c(C)[nH]1)N1CCc2ccccc2C1 ZINC000578643865 318275430 /nfs/dbraw/zinc/27/54/30/318275430.db2.gz FJSAQLJZYIJUHP-GOSISDBHSA-N 2 0 312.461 2.953 20 0 DFADRP C[C@H](CNC(=O)Nc1ccc2c(c1)C[NH2+]C2)[N@@H+]1CCCC[C@H]1C ZINC000578728039 318280810 /nfs/dbraw/zinc/28/08/10/318280810.db2.gz WSTVETUAIOCIJS-ZIAGYGMSSA-N 2 0 316.449 2.674 20 0 DFADRP CC(C)C[C@H](CNC(=O)CC[C@H](C)[NH3+])[NH2+][C@H](C)c1ccccc1 ZINC000578745190 318282463 /nfs/dbraw/zinc/28/24/63/318282463.db2.gz JPLONJOWJNEDBL-LZLYRXPVSA-N 2 0 319.493 2.996 20 0 DFADRP C[C@H]([NH2+]CCCC[NH+](C)C)c1cncc(Br)c1 ZINC000578909793 318294969 /nfs/dbraw/zinc/29/49/69/318294969.db2.gz MNGSBZUWYZNURR-NSHDSACASA-N 2 0 300.244 2.837 20 0 DFADRP Cc1cccc(NC(=O)C[C@H](C)[NH2+]CCC[C@H]2CCC[NH2+]2)c1 ZINC000578978852 318298926 /nfs/dbraw/zinc/29/89/26/318298926.db2.gz ASRLZHHBIYPXTQ-HOTGVXAUSA-N 2 0 303.450 2.834 20 0 DFADRP COCCN(C)C[C@H](O)C[N@@H+]1CCCCC[C@@H]1c1ccccc1 ZINC000579021904 318302532 /nfs/dbraw/zinc/30/25/32/318302532.db2.gz KJFHDRDJKGGINH-RBUKOAKNSA-N 2 0 320.477 2.543 20 0 DFADRP [NH3+]C1C[C@H]2CCC[C@@H](C1)C2[NH2+]Cc1cnn(-c2ccccc2)c1 ZINC000579095275 318306674 /nfs/dbraw/zinc/30/66/74/318306674.db2.gz CTRXISGXFDSOIN-GIOYIUAESA-N 2 0 310.445 2.868 20 0 DFADRP COc1ccc(Cl)cc1N1CC[C@H]([NH2+][C@@H]2CCC[C@@H]([NH3+])C2)C1 ZINC000579258652 318319028 /nfs/dbraw/zinc/31/90/28/318319028.db2.gz VFVGKIRFKWFAGQ-KFWWJZLASA-N 2 0 323.868 2.787 20 0 DFADRP Cn1cncc1CCC[N@H+](C)Cc1nc(-c2cccs2)no1 ZINC000579369412 318326565 /nfs/dbraw/zinc/32/65/65/318326565.db2.gz BOYNUUIZKMUGGA-UHFFFAOYSA-N 2 0 317.418 2.596 20 0 DFADRP [NH3+][C@H]1CCC[C@H]([NH2+]Cc2ccc(NC(=O)c3ccco3)cc2)C1 ZINC000579495326 318335656 /nfs/dbraw/zinc/33/56/56/318335656.db2.gz WUVDITORCCXUQB-HOCLYGCPSA-N 2 0 313.401 2.891 20 0 DFADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+][C@@H](c1ccccc1)c1ccncn1 ZINC000579825558 318356891 /nfs/dbraw/zinc/35/68/91/318356891.db2.gz NSVOBBXVDGSAAO-QIUZIFDCSA-N 2 0 308.429 2.672 20 0 DFADRP CCC[C@@H]1CCCC[C@H]1[NH2+]CCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000580074032 318373449 /nfs/dbraw/zinc/37/34/49/318373449.db2.gz AKFOFURFTIGAJJ-IXDOHACOSA-N 2 0 309.498 2.522 20 0 DFADRP C[C@@H]1C[C@@H](NC[C@@H]2CCC[NH2+]C2)CC[N@@H+]1Cc1ccccc1 ZINC000379654582 323290247 /nfs/dbraw/zinc/29/02/47/323290247.db2.gz JAXWBAPARBHONV-QRQLOZEOSA-N 2 0 301.478 2.629 20 0 DFADRP C[C@@H]1CN(C2CC[NH+](Cc3ccccc3)CC2)C[C@@]1(C)C[NH3+] ZINC000380934363 323292587 /nfs/dbraw/zinc/29/25/87/323292587.db2.gz ILOLHCKISKIWOR-VQIMIIECSA-N 2 0 301.478 2.568 20 0 DFADRP C[N@H+](CC[C@H]1CCC[NH2+]C1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000382719584 323301014 /nfs/dbraw/zinc/30/10/14/323301014.db2.gz KFBPHPZJVAUGHM-UYAOXDASSA-N 3 0 315.505 2.830 20 0 DFADRP C[C@H]1CN(Cc2ccccc2)CCC[N@@H+]1CC[C@H]1CC[NH2+]C1 ZINC000382719075 323301226 /nfs/dbraw/zinc/30/12/26/323301226.db2.gz JSBZYTIQIUDRJM-ZWKOTPCHSA-N 2 0 301.478 2.582 20 0 DFADRP C[C@@H](NC1CC[NH+](Cc2ccccc2)CC1)[C@H]1CCCC[NH2+]1 ZINC000386534706 323319119 /nfs/dbraw/zinc/31/91/19/323319119.db2.gz BLCOHHLRFVAFPG-VQIMIIECSA-N 2 0 301.478 2.771 20 0 DFADRP CN(CC[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1)Cc1ccccc1 ZINC000386870335 323321268 /nfs/dbraw/zinc/32/12/68/323321268.db2.gz KSICQLZDDBXMDB-QRVBRYPASA-N 2 0 301.478 2.629 20 0 DFADRP Cc1ccc(C)c(OC[C@H](O)C[NH2+]C2CC[NH+](C(C)C)CC2)c1 ZINC000387472341 323324511 /nfs/dbraw/zinc/32/45/11/323324511.db2.gz ZBIHHFZEWBVEAN-GOSISDBHSA-N 2 0 320.477 2.506 20 0 DFADRP CC[NH+](CC)CC1CCN(C(=O)[C@@H](CC(C)(C)C)[NH2+]C)CC1 ZINC000387482754 323324568 /nfs/dbraw/zinc/32/45/68/323324568.db2.gz WMVXVGQAVWQZJT-MRXNPFEDSA-N 2 0 311.514 2.591 20 0 DFADRP CC[NH+](CC)CC1CCN(C(=O)[C@H](CC(C)(C)C)[NH2+]C)CC1 ZINC000387482753 323324647 /nfs/dbraw/zinc/32/46/47/323324647.db2.gz WMVXVGQAVWQZJT-INIZCTEOSA-N 2 0 311.514 2.591 20 0 DFADRP C[N@H+](CC[C@@H]1CCC[NH2+]C1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000388742183 323332565 /nfs/dbraw/zinc/33/25/65/323332565.db2.gz CKIFIDSUGZSTKR-AZUAARDMSA-N 2 0 315.505 2.973 20 0 DFADRP C[N@H+](CC[C@@H]1CC[NH2+]C1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000388747046 323332706 /nfs/dbraw/zinc/33/27/06/323332706.db2.gz DGGIJYKREKUWSB-PKOBYXMFSA-N 2 0 301.478 2.582 20 0 DFADRP COc1ccc(C[NH+](C)C)cc1NC(=O)C[C@H]1CCCC[C@@H]1[NH3+] ZINC000391723560 323346039 /nfs/dbraw/zinc/34/60/39/323346039.db2.gz FBJGETMAVPUDMR-CABCVRRESA-N 2 0 319.449 2.603 20 0 DFADRP OCCN1CCCC[C@@H]1C[NH2+][C@@H]1CCc2c1cccc2Cl ZINC000580284785 323363701 /nfs/dbraw/zinc/36/37/01/323363701.db2.gz AYXFTEPBQLCJSX-CXAGYDPISA-N 2 0 308.853 2.764 20 0 DFADRP C[C@H]1C[C@H]([NH2+]CCCC[NH+]2CCN(C)CC2)c2ccccc21 ZINC000581215611 323491867 /nfs/dbraw/zinc/49/18/67/323491867.db2.gz VIWMKHXFIWKNTE-LPHOPBHVSA-N 2 0 301.478 2.852 20 0 DFADRP CC[NH2+]CCC[NH2+][C@H]1CCc2cccc(Br)c2C1 ZINC000581601912 323547003 /nfs/dbraw/zinc/54/70/03/323547003.db2.gz XUMUHULXAJEZKU-ZDUSSCGKSA-N 2 0 311.267 2.896 20 0 DFADRP C[C@@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]Cc1cccnc1-n1cccn1 ZINC000582898927 323757482 /nfs/dbraw/zinc/75/74/82/323757482.db2.gz CZECXVHMCNJTLZ-RDJZCZTQSA-N 2 0 313.449 2.668 20 0 DFADRP CC[C@@H]1C[C@@H]([NH2+]Cc2cn(-c3cc[nH+]cc3)nc2C)CCO1 ZINC000582898827 323757731 /nfs/dbraw/zinc/75/77/31/323757731.db2.gz YDAOKRFQVKGKSO-DOTOQJQBSA-N 2 0 300.406 2.623 20 0 DFADRP CC(C)[NH+](CCCNC(=O)C[C@@H](C)[C@H]1CCC[NH2+]C1)C(C)C ZINC000583201846 323812823 /nfs/dbraw/zinc/81/28/23/323812823.db2.gz OLQOMNRTQLOEQL-SJORKVTESA-N 2 0 311.514 2.637 20 0 DFADRP COc1ccccc1N1CCC([NH2+][C@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000583451364 323858479 /nfs/dbraw/zinc/85/84/79/323858479.db2.gz SJGIWUISSJBZPD-HOCLYGCPSA-N 2 0 303.450 2.524 20 0 DFADRP C[C@@H]1C[C@H](CN(Cc2ccccc2)[C@H]2CCC[NH2+]C2)CC[NH2+]1 ZINC000583630695 323889604 /nfs/dbraw/zinc/88/96/04/323889604.db2.gz OYLMZVBHISYSKK-QRQLOZEOSA-N 2 0 301.478 2.629 20 0 DFADRP CC(C)[N@@H+]1CC[C@H](CNC(=O)CC[C@@H]([NH3+])CC2CCCCC2)C1 ZINC000584408162 337319629 /nfs/dbraw/zinc/31/96/29/337319629.db2.gz YXRLNSZGMXYION-QZTJIDSGSA-N 2 0 323.525 2.911 20 0 DFADRP c1cc2c(cc1C[N@@H+]1CCC[C@@H]1[C@@H]1CCCOC1)C[NH2+]CC2 ZINC000584475159 337346273 /nfs/dbraw/zinc/34/62/73/337346273.db2.gz WELYHAHGEUPDJQ-IEBWSBKVSA-N 2 0 300.446 2.723 20 0 DFADRP C[C@@H]([NH2+]CC1=CC[N@H+](C)CC1)c1cncc(Br)c1 ZINC000584480654 337348872 /nfs/dbraw/zinc/34/88/72/337348872.db2.gz JIULAXFXIHCXPH-LLVKDONJSA-N 2 0 310.239 2.757 20 0 DFADRP C[C@@H](CN1CC[NH+](C)CC1)[NH2+]Cc1ccc(C2CCC2)cc1 ZINC000293678195 533842289 /nfs/dbraw/zinc/84/22/89/533842289.db2.gz VIYCQDLCWPKOPJ-INIZCTEOSA-N 2 0 301.478 2.680 20 0 DFADRP O[C@@H]1CCCC[C@@H]1[N@@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000310006357 534410290 /nfs/dbraw/zinc/41/02/90/534410290.db2.gz HWTJIVUCXINUBC-LWYYNNOASA-N 2 0 314.473 2.744 20 0 DFADRP c1cc(N2CCC([NH2+][C@@H]3CCC[C@@H]4OCC[C@@H]43)CC2)cc[nH+]1 ZINC000297320344 534468619 /nfs/dbraw/zinc/46/86/19/534468619.db2.gz CFUYKNRXOHUPHW-KURKYZTESA-N 2 0 301.434 2.598 20 0 DFADRP CCOC(=O)CC(C)(C)CC[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000367738737 520606527 /nfs/dbraw/zinc/60/65/27/520606527.db2.gz UOZGAPKLPUJTBU-HZPDHXFCSA-N 2 0 310.482 2.772 20 0 DFADRP CCOC(=O)CC(C)(C)CC[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000367738738 520608173 /nfs/dbraw/zinc/60/81/73/520608173.db2.gz UOZGAPKLPUJTBU-JKSUJKDBSA-N 2 0 310.482 2.772 20 0 DFADRP CC1(C[NH+]2CCOCC2)CC[NH+](C[C@@H]2Cc3ccccc32)CC1 ZINC000367753409 520705522 /nfs/dbraw/zinc/70/55/22/520705522.db2.gz KIMZEGOCIFKGCD-SFHVURJKSA-N 2 0 314.473 2.761 20 0 DFADRP CC[N@H+](CCN[C@H]1CC[NH+](Cc2ccccn2)C[C@@H]1C)C(C)C ZINC000156643997 521083485 /nfs/dbraw/zinc/08/34/85/521083485.db2.gz LMDZJKXCJFTFBP-HKUYNNGSSA-N 2 0 318.509 2.612 20 0 DFADRP CCC[C@](C)([NH3+])C(=O)NC[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000365006408 521274749 /nfs/dbraw/zinc/27/47/49/521274749.db2.gz FJKZHVISKSMAPC-AYBZRNKSSA-N 2 0 317.477 2.531 20 0 DFADRP CCOC(C[NH+]1CCC2(C[C@@H]2C[N@H+](C)C2CC2)CC1)OCC ZINC000364915351 521631385 /nfs/dbraw/zinc/63/13/85/521631385.db2.gz OARQTTKSVBAIFU-OAHLLOKOSA-N 2 0 310.482 2.582 20 0 DFADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)[C@@H](C)CC(C)C ZINC000361213550 521653483 /nfs/dbraw/zinc/65/34/83/521653483.db2.gz QWLCYTPHUOYVFZ-IRXDYDNUSA-N 2 0 311.514 2.543 20 0 DFADRP [NH3+]CCCOC1CC[NH+](Cc2ccc(OC(F)F)cc2)CC1 ZINC000316388041 534617744 /nfs/dbraw/zinc/61/77/44/534617744.db2.gz FDTLMYMZJACEKN-UHFFFAOYSA-N 2 0 314.376 2.618 20 0 DFADRP C[N@@H+]1CCC[C@H](CNC(=O)CCC[NH3+])[C@H]1c1cccc(Cl)c1 ZINC000364848650 523840881 /nfs/dbraw/zinc/84/08/81/523840881.db2.gz BOKSBQBMNJQLNC-RHSMWYFYSA-N 2 0 323.868 2.578 20 0 DFADRP COc1ccc(C)cc1[C@H](C)[NH2+]CCCN1CCC[N@H+](C)CC1 ZINC000128372952 523857797 /nfs/dbraw/zinc/85/77/97/523857797.db2.gz CTSVPZZPGLMBKB-KRWDZBQOSA-N 2 0 319.493 2.682 20 0 DFADRP COCCOc1ccc(C[NH2+][C@@H]2CC[N@H+](C)[C@H]3CCC[C@@H]32)cc1 ZINC000367619525 524045613 /nfs/dbraw/zinc/04/56/13/524045613.db2.gz WTNZSARETGGDEN-QRVBRYPASA-N 2 0 318.461 2.674 20 0 DFADRP Cc1cccc(CC[C@H](C)[NH2+]CCCN2CCC[N@H+](C)CC2)c1 ZINC000128385934 524365365 /nfs/dbraw/zinc/36/53/65/524365365.db2.gz CFCTYCGIJGLFFD-IBGZPJMESA-N 2 0 317.521 2.933 20 0 DFADRP CC[N@H+](Cc1ccc(C(=O)NC[C@@H](C)[NH+](C)C)cc1)C(C)C ZINC000299610122 528774553 /nfs/dbraw/zinc/77/45/53/528774553.db2.gz OJMFUXPOFSVAMM-OAHLLOKOSA-N 2 0 305.466 2.597 20 0 DFADRP CCC(CC)(C[NH3+])C(=O)N1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000261916246 534930015 /nfs/dbraw/zinc/93/00/15/534930015.db2.gz YWDSOEFGZZTRIL-IAGOWNOFSA-N 2 0 323.525 2.865 20 0 DFADRP CCCC[C@H]([NH3+])C(=O)NCc1cccc(C[NH+](CC)CC)c1 ZINC000236818038 535046638 /nfs/dbraw/zinc/04/66/38/535046638.db2.gz RBIVDVDXNGNDKZ-KRWDZBQOSA-N 2 0 305.466 2.662 20 0 DFADRP CC(C)[NH+]1CCC(O)(C[NH2+]Cc2cc3ccc(F)cc3[nH]2)CC1 ZINC000362925369 535163079 /nfs/dbraw/zinc/16/30/79/535163079.db2.gz SXHWBOKONDRTQJ-UHFFFAOYSA-N 2 0 319.424 2.632 20 0 DFADRP CCC[NH+]1CCC(CNC(=O)c2ccccc2C[NH+](C)C)CC1 ZINC000362697361 535352916 /nfs/dbraw/zinc/35/29/16/535352916.db2.gz KBFBDLGSKLYDTM-UHFFFAOYSA-N 2 0 317.477 2.600 20 0 DFADRP CC[NH2+]CC1CC[NH+](Cc2cc(Cl)c3c(c2)OCCO3)CC1 ZINC000262117816 535460586 /nfs/dbraw/zinc/46/05/86/535460586.db2.gz KLCURBRTAHBRDZ-UHFFFAOYSA-N 2 0 324.852 2.933 20 0 DFADRP CCc1cccc(C)c1NC(=O)C[NH+]1CCC([C@H](C)[NH3+])CC1 ZINC000261926394 535862421 /nfs/dbraw/zinc/86/24/21/535862421.db2.gz ITXTXMNRLGLPNC-AWEZNQCLSA-N 2 0 303.450 2.555 20 0 DFADRP C[NH+](C)Cc1ccc(C[NH2+]C2CCN(CC(F)F)CC2)cc1 ZINC000237052582 536011298 /nfs/dbraw/zinc/01/12/98/536011298.db2.gz GSTUDZAFKTVDJP-UHFFFAOYSA-N 2 0 311.420 2.567 20 0 DFADRP CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)c1ccccc1C[NH+](C)C ZINC000362863402 536039718 /nfs/dbraw/zinc/03/97/18/536039718.db2.gz MPYKDHKSPBYZNE-QGZVFWFLSA-N 2 0 317.477 2.695 20 0 DFADRP C[N@H+](Cc1ccccc1)CC(C)(C)CN1CC[C@](C)(C[NH3+])C1 ZINC000261819346 536480239 /nfs/dbraw/zinc/48/02/39/536480239.db2.gz XQKFELWLOJAAME-LJQANCHMSA-N 2 0 303.494 2.815 20 0 DFADRP COc1cc(C)c(C[N@@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)cc1OC ZINC000262065362 536573353 /nfs/dbraw/zinc/57/33/53/536573353.db2.gz FLHYNFFXVFSACV-BPUTZDHNSA-N 2 0 304.434 2.571 20 0 DFADRP COc1cc(C[N@@H+]2CCC[C@@H](CC[NH3+])C2)ccc1OC(F)F ZINC000261846352 536749737 /nfs/dbraw/zinc/74/97/37/536749737.db2.gz DCDITCUBBFIOOE-LBPRGKRZSA-N 2 0 314.376 2.857 20 0 DFADRP Cc1ccc2[nH+]ccc(N3CC[NH+]([C@@H]4CCC[C@@H]4O)CC3)c2c1 ZINC000680620468 545519855 /nfs/dbraw/zinc/51/98/55/545519855.db2.gz HQBBJGMWQYIYFN-MOPGFXCFSA-N 2 0 311.429 2.579 20 0 DFADRP CC[C@H](C(=O)N1C[C@H]2CCCC[N@@H+]2C[C@H]1CC)[NH+](CC)CC ZINC000680868950 545555329 /nfs/dbraw/zinc/55/53/29/545555329.db2.gz BPQKYQVDAHXOBO-BRWVUGGUSA-N 2 0 309.498 2.582 20 0 DFADRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+][C@@H]1CCc2c1cc(F)cc2F ZINC000681140739 545602631 /nfs/dbraw/zinc/60/26/31/545602631.db2.gz BYXXMFLZEYGLJU-FZKQIMNGSA-N 2 0 323.431 2.568 20 0 DFADRP Fc1ccc([C@@H](N[C@H]2CC[N@H+](CC3CC3)C2)c2ncc[nH]2)cc1 ZINC000682132316 545802166 /nfs/dbraw/zinc/80/21/66/545802166.db2.gz BAMBEMGMVQENTO-DLBZAZTESA-N 2 0 314.408 2.712 20 0 DFADRP C[NH+](C)CCOCC[NH2+]Cc1c(Cl)ccc2cccnc21 ZINC000682615813 545884484 /nfs/dbraw/zinc/88/44/84/545884484.db2.gz LYNXLKIFXYNRCE-UHFFFAOYSA-N 2 0 307.825 2.556 20 0 DFADRP COc1ccc(COCC[N@@H+]2CCC[C@H]([NH+](C)C)CC2)cc1 ZINC000683227872 545991756 /nfs/dbraw/zinc/99/17/56/545991756.db2.gz AGOPEEQAQCXIKZ-KRWDZBQOSA-N 2 0 306.450 2.628 20 0 DFADRP CN(CC[N@H+](C)Cc1cc2ccccc2[nH]1)C1CC[NH+](C)CC1 ZINC000685454749 546352689 /nfs/dbraw/zinc/35/26/89/546352689.db2.gz CXJALRVTVQYEAY-UHFFFAOYSA-N 2 0 314.477 2.626 20 0 DFADRP C[C@@H]([NH2+]C[C@]1(C)OCCc2sccc21)C1CC[NH+](C)CC1 ZINC000685661908 546383456 /nfs/dbraw/zinc/38/34/56/546383456.db2.gz FLXGMHSICIYHDM-DYVFJYSZSA-N 2 0 308.491 2.856 20 0 DFADRP C[C@H]([NH2+]C[C@]1(C)OCCc2sccc21)C1CC[NH+](C)CC1 ZINC000685661909 546383589 /nfs/dbraw/zinc/38/35/89/546383589.db2.gz FLXGMHSICIYHDM-GUYCJALGSA-N 2 0 308.491 2.856 20 0 DFADRP C[NH+]1CCN(CCC[NH2+][C@H]2CCSc3ccc(F)cc32)CC1 ZINC000162478129 197569494 /nfs/dbraw/zinc/56/94/94/197569494.db2.gz ATVMMFUNPFZUGN-INIZCTEOSA-N 2 0 323.481 2.590 20 0 DFADRP C[C@H]1C[N@H+](CCC[NH2+][C@@H]2CCCOc3ccccc32)CCCO1 ZINC000278608231 214272301 /nfs/dbraw/zinc/27/23/01/214272301.db2.gz RDRJGBHNUZBNMH-FUHWJXTLSA-N 2 0 318.461 2.991 20 0 DFADRP COC[C@@H]([NH2+]C[C@H]1CCC[N@H+](Cc2ccccc2)C1)C1CC1 ZINC000309641968 231101931 /nfs/dbraw/zinc/10/19/31/231101931.db2.gz CHTLPFALSHDCAJ-IEBWSBKVSA-N 2 0 302.462 2.913 20 0 DFADRP C[C@@H]1COCC[C@@H]1[NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]12 ZINC000309857392 231107701 /nfs/dbraw/zinc/10/77/01/231107701.db2.gz LTOCTTDOJOJTSE-RACLHMPKSA-N 2 0 314.473 2.912 20 0 DFADRP C[C@@H]([NH2+]CCOCC[NH+](C)C)c1ccc(OC(F)(F)F)cc1 ZINC000318516670 231170727 /nfs/dbraw/zinc/17/07/27/231170727.db2.gz ZQZYLVAIFKYZPJ-GFCCVEGCSA-N 2 0 320.355 2.814 20 0 DFADRP c1ccc(CN2CCC[N@@H+](CCC3CC[NH2+]CC3)CC2)cc1 ZINC000323810042 231218692 /nfs/dbraw/zinc/21/86/92/231218692.db2.gz LELPCCMUCZFYSK-UHFFFAOYSA-N 2 0 301.478 2.584 20 0 DFADRP Cc1cc(C)cc(OCCC[NH+]2CCC(OCCC[NH3+])CC2)c1 ZINC000321469609 231203142 /nfs/dbraw/zinc/20/31/42/231203142.db2.gz FFKIWHJCXOSBSZ-UHFFFAOYSA-N 2 0 320.477 2.902 20 0 DFADRP Cc1nccn1[C@@H]1CCC[N@@H+](CC(=O)N2[C@H](C)CCC[C@@H]2C)C1 ZINC000591904813 398348164 /nfs/dbraw/zinc/34/81/64/398348164.db2.gz AUWODOSNRSXXRO-HLLBOEOZSA-N 2 0 318.465 2.618 20 0 DFADRP CCC(CC)NC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](n2ccnc2C)C1 ZINC000591905646 398348615 /nfs/dbraw/zinc/34/86/15/398348615.db2.gz FENKTGSUIOHQHH-CZUORRHYSA-N 2 0 306.454 2.522 20 0 DFADRP CCC(C)(C)NC(=O)[C@@H](C)[N@@H+]1CCC[C@H](n2ccnc2C)C1 ZINC000591905009 398348687 /nfs/dbraw/zinc/34/86/87/398348687.db2.gz AVUNQFIGVGWREX-HIFRSBDPSA-N 2 0 306.454 2.522 20 0 DFADRP C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2CNC2=[NH+]CCCN2)C1 ZINC000066243460 398364064 /nfs/dbraw/zinc/36/40/64/398364064.db2.gz JAHJEXZPTNVJPN-IYBDPMFKSA-N 2 0 314.477 2.603 20 0 DFADRP CCC[N@H+](C)C[C@H]1CCN(C(=O)CC[C@@H]([NH3+])c2ccccc2)C1 ZINC000236764907 398364773 /nfs/dbraw/zinc/36/47/73/398364773.db2.gz KBRCNLNNMJXXKG-SJLPKXTDSA-N 2 0 317.477 2.657 20 0 DFADRP CC[N@@H+]1CC[C@@H]([NH2+]CCc2nc3cc(F)ccc3n2C)[C@H](C)C1 ZINC000090043825 185279440 /nfs/dbraw/zinc/27/94/40/185279440.db2.gz RXXVIEMKHJKTKI-UKRRQHHQSA-N 2 0 318.440 2.575 20 0 DFADRP COCCC[N@H+](C)Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000092537249 185324476 /nfs/dbraw/zinc/32/44/76/185324476.db2.gz CLTZUSKMXFPRPT-UHFFFAOYSA-N 2 0 319.493 2.685 20 0 DFADRP CCO[C@@H]1C[C@H]([NH2+]C[C@@H](C)N2CCC(C)CC2)[C@H]1SC ZINC000459395757 299094942 /nfs/dbraw/zinc/09/49/42/299094942.db2.gz ZANYTEPAZZWXRF-QKPAOTATSA-N 2 0 300.512 2.605 20 0 DFADRP C[N@H+](CCCCCO)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000092820896 185343790 /nfs/dbraw/zinc/34/37/90/185343790.db2.gz NVNOAOLJFRWLAK-UHFFFAOYSA-N 2 0 305.466 2.783 20 0 DFADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]C[C@@H]1CCCCN1C1CC1 ZINC000584714331 398401213 /nfs/dbraw/zinc/40/12/13/398401213.db2.gz ISTWSXUFQYFEQO-DYVFJYSZSA-N 2 0 302.466 2.516 20 0 DFADRP CCOCC[NH2+][C@@H](C)c1cc(F)ccc1N1CC[NH+](CC)CC1 ZINC000181629104 199329827 /nfs/dbraw/zinc/32/98/27/199329827.db2.gz NFUNPTHVNQCWFQ-HNNXBMFYSA-N 2 0 323.456 2.655 20 0 DFADRP C[NH+]1CCC(CC[NH2+]CCC(=O)Nc2ccc(Cl)cc2)CC1 ZINC000584776331 398410400 /nfs/dbraw/zinc/41/04/00/398410400.db2.gz VUUTZFUGVVXWIB-UHFFFAOYSA-N 2 0 323.868 2.990 20 0 DFADRP COC(=O)c1ccc(C[N@@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)cc1 ZINC000592433641 398425641 /nfs/dbraw/zinc/42/56/41/398425641.db2.gz MXIPKGDRKKNXKN-MSOLQXFVSA-N 2 0 316.445 2.685 20 0 DFADRP CSc1cccc(NC(=O)[C@H](C)[NH+]2CCC(CC[NH3+])CC2)c1 ZINC000584843141 398421273 /nfs/dbraw/zinc/42/12/73/398421273.db2.gz ICQSKXPSTCKLOF-ZDUSSCGKSA-N 2 0 321.490 2.796 20 0 DFADRP CC(C)(C)OC(=O)[C@@H]1CC[C@H]([NH2+]C2CC[NH+](CC3CC3)CC2)C1 ZINC000592403878 398422821 /nfs/dbraw/zinc/42/28/21/398422821.db2.gz ORUZMVCBRVYCNF-WBVHZDCISA-N 2 0 322.493 2.961 20 0 DFADRP C[N@@H+]1CC[C@H]([NH2+][C@@H]2CC[C@H](C(=O)OC(C)(C)C)C2)[C@@H]2CCC[C@@H]21 ZINC000592403451 398422892 /nfs/dbraw/zinc/42/28/92/398422892.db2.gz LIJUSRPYDSGXEI-QEOTZNIISA-N 2 0 322.493 2.959 20 0 DFADRP COC(=O)[C@@H](C)[C@@H]([NH2+]CCCC1CC[NH2+]CC1)c1ccccc1 ZINC000592495618 398433816 /nfs/dbraw/zinc/43/38/16/398433816.db2.gz NGGUNLZGWGSDSD-MAUKXSAKSA-N 2 0 318.461 2.906 20 0 DFADRP c1cc(N2CCC(C[NH2+][C@H]3CC[N@@H+]4CCC[C@@H]4C3)CC2)cc[nH+]1 ZINC000089215676 398444232 /nfs/dbraw/zinc/44/42/32/398444232.db2.gz CIFIIIGWDDLLCC-PKOBYXMFSA-N 3 0 314.477 2.514 20 0 DFADRP C[C@@H]1CCC[C@H](C)N1CC[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000459435462 299106057 /nfs/dbraw/zinc/10/60/57/299106057.db2.gz VRNYNQDITHKOIP-CALCHBBNSA-N 2 0 316.493 2.903 20 0 DFADRP CN(CC1([NH+](C)C)CCC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000459445834 299108989 /nfs/dbraw/zinc/10/89/89/299108989.db2.gz NOISVHVSCZFSGP-SFHVURJKSA-N 2 0 301.478 2.677 20 0 DFADRP CCO[C@@H]1C[C@H]([NH2+]C2CCC(C[NH+](C)C)CC2)[C@@H]1SC ZINC000459448713 299109485 /nfs/dbraw/zinc/10/94/85/299109485.db2.gz LOXMKOXMFSAIPG-NEADZQPHSA-N 2 0 300.512 2.605 20 0 DFADRP C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000459455699 299110091 /nfs/dbraw/zinc/11/00/91/299110091.db2.gz DEGIYJJULJTGML-MISYRCLQSA-N 2 0 313.489 2.820 20 0 DFADRP C[N@@H+]1CCC[C@]2(CC[NH+](C[C@H](O)Cc3cccc(Cl)c3)C2)C1 ZINC000293043498 530065094 /nfs/dbraw/zinc/06/50/94/530065094.db2.gz SOTMEHQCTUPZNR-MSOLQXFVSA-N 2 0 322.880 2.661 20 0 DFADRP CC(C)[C@H]([NH2+]Cc1ccc(C(=O)NCC[NH+](C)C)cc1)C1CC1 ZINC000090038858 398474219 /nfs/dbraw/zinc/47/42/19/398474219.db2.gz QWGVWKMRZUJVTP-SFHVURJKSA-N 2 0 317.477 2.502 20 0 DFADRP C[C@@H]1CC[C@H](C[NH+]2CCN(c3cc[nH+]c4ccccc43)CC2)O1 ZINC000459487103 299119090 /nfs/dbraw/zinc/11/90/90/299119090.db2.gz UHVIZXCOBUGRBA-HZPDHXFCSA-N 2 0 311.429 2.924 20 0 DFADRP OC1(C[NH+]2CCN(c3cc[nH+]c4ccccc43)CC2)CCCC1 ZINC000459490483 299120068 /nfs/dbraw/zinc/12/00/68/299120068.db2.gz ZBFFAHYRLMBVNB-UHFFFAOYSA-N 2 0 311.429 2.662 20 0 DFADRP COC(=O)c1cc([C@H](C)N2CC[C@@]3(C2)CCC[N@H+](C)C3)oc1C ZINC000292893464 398487141 /nfs/dbraw/zinc/48/71/41/398487141.db2.gz GBKCYVFEWMYNPI-UGSOOPFHSA-N 2 0 320.433 2.853 20 0 DFADRP COc1ccc(OC)c(CCC[NH2+][C@H]2CC[N@H+](C)C[C@H]2C)c1 ZINC000090888339 398495611 /nfs/dbraw/zinc/49/56/11/398495611.db2.gz MRFIWIQJUJYEBP-PBHICJAKSA-N 2 0 306.450 2.566 20 0 DFADRP CC(C)[N@@H+]1CC[C@@H](C[NH2+][C@@H]2CCCN(Cc3ccccc3)C2)C1 ZINC000302907810 398496085 /nfs/dbraw/zinc/49/60/85/398496085.db2.gz YAPGZLFIAGRORG-VQTJNVASSA-N 2 0 315.505 2.971 20 0 DFADRP COc1ccccc1OC[C@H](C)C[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000090937568 398496417 /nfs/dbraw/zinc/49/64/17/398496417.db2.gz FYQASLQRXSLKNB-IXDOHACOSA-N 2 0 318.461 2.927 20 0 DFADRP COc1ccccc1OC[C@H](C)C[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000090937566 398496597 /nfs/dbraw/zinc/49/65/97/398496597.db2.gz FYQASLQRXSLKNB-BRWVUGGUSA-N 2 0 318.461 2.927 20 0 DFADRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+]Cc1ccc(C2CC2)cc1 ZINC000459543270 299130024 /nfs/dbraw/zinc/13/00/24/299130024.db2.gz YSMMYJSVFLVQLN-MRXNPFEDSA-N 2 0 301.478 2.680 20 0 DFADRP COCC1(C[NH2+]C2CCN(c3cc[nH+]cc3)CC2)CCCC1 ZINC000459563401 299135251 /nfs/dbraw/zinc/13/52/51/299135251.db2.gz QEVPGEAKCXFODP-UHFFFAOYSA-N 2 0 303.450 2.847 20 0 DFADRP CC(C)[C@@H]([NH2+]C1CC[NH+](C[C@@H]2CCOC2)CC1)c1cccnc1 ZINC000091343597 398526634 /nfs/dbraw/zinc/52/66/34/398526634.db2.gz VSSMFIZORVMKQX-QFBILLFUSA-N 2 0 317.477 2.869 20 0 DFADRP CCCOc1ccc(C[NH+]2CCC(OCCC[NH3+])CC2)cc1 ZINC000316440465 398531965 /nfs/dbraw/zinc/53/19/65/398531965.db2.gz MTAICMUAXSTLEG-UHFFFAOYSA-N 2 0 306.450 2.805 20 0 DFADRP CC[NH+](CC)CCCN1CC[C@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000279720667 215091885 /nfs/dbraw/zinc/09/18/85/215091885.db2.gz LQQRUTXNWYEETE-LJQANCHMSA-N 2 0 318.509 2.567 20 0 DFADRP Cn1nccc1[C@H]1CCC[C@H]([NH2+]Cc2ccc3c[nH+]cn3c2)C1 ZINC000414186697 295775544 /nfs/dbraw/zinc/77/55/44/295775544.db2.gz PGPFUAYYCDTJQJ-HOTGVXAUSA-N 2 0 309.417 2.884 20 0 DFADRP C[C@H]([NH2+]CC1(C)CC[NH+](C)CC1)c1ccc([S@@](C)=O)cc1 ZINC000272610205 210009698 /nfs/dbraw/zinc/00/96/98/210009698.db2.gz VZUGKALSURUGJH-LHSJRXKWSA-N 2 0 308.491 2.807 20 0 DFADRP Cc1cc(C[NH+](C)C)cc(NC(=O)[C@@H]2CCC[N@@H+]2C2CC2)c1 ZINC000279752187 215114867 /nfs/dbraw/zinc/11/48/67/215114867.db2.gz DBGXQADBMJBJHT-KRWDZBQOSA-N 2 0 301.434 2.622 20 0 DFADRP CC[NH+]1CCC(NCc2ccc(C(=O)OC)c(Cl)c2)CC1 ZINC000597043373 398553413 /nfs/dbraw/zinc/55/34/13/398553413.db2.gz MCPHEVHDVCTJMZ-UHFFFAOYSA-N 2 0 310.825 2.701 20 0 DFADRP COC(=O)c1ccc(C[NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)cc1Cl ZINC000597051658 398556607 /nfs/dbraw/zinc/55/66/07/398556607.db2.gz WJGSRTFMNSAIDR-CYBMUJFWSA-N 2 0 322.836 2.701 20 0 DFADRP C[C@H](c1cccc2ccccc21)[N@@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000323835434 398561531 /nfs/dbraw/zinc/56/15/31/398561531.db2.gz ROCRYRSEYDXDMQ-SJLPKXTDSA-N 2 0 309.457 2.880 20 0 DFADRP COC(=O)c1ccc(C[NH2+]CC2(C)CC[NH+](C)CC2)cc1Cl ZINC000597079558 398562059 /nfs/dbraw/zinc/56/20/59/398562059.db2.gz DMIXDCRUCBEAJQ-UHFFFAOYSA-N 2 0 324.852 2.948 20 0 DFADRP C[NH+](C)CCOc1cccc(C[NH2+]Cc2ccc3[nH]cnc3c2)c1 ZINC000589641652 398567570 /nfs/dbraw/zinc/56/75/70/398567570.db2.gz WDDXRQXJDHAQNW-UHFFFAOYSA-N 2 0 324.428 2.793 20 0 DFADRP C[C@H]([NH2+][C@@H]1CCC[C@@H](CO)C1)c1ccc(OCC[NH+](C)C)cc1 ZINC000414342559 295790085 /nfs/dbraw/zinc/79/00/85/295790085.db2.gz PZLHYAKWEQOLIJ-LZLYRXPVSA-N 2 0 320.477 2.829 20 0 DFADRP C[NH+](C/C=C\C[N@@H+](C)C[C@@H]1CCCCO1)C[C@@H]1CCCCO1 ZINC000340171849 398578766 /nfs/dbraw/zinc/57/87/66/398578766.db2.gz MUANJHOPPBUWCP-SLXDBMQSSA-N 2 0 310.482 2.544 20 0 DFADRP Cc1occc1C[NH+]1CCC(C[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000414378673 295795015 /nfs/dbraw/zinc/79/50/15/295795015.db2.gz HHTLNIVIZBNZKZ-GJZGRUSLSA-N 2 0 306.450 2.909 20 0 DFADRP C[NH+](C)CCN1CCC([NH2+][C@H]2CC[C@H](c3ccccc3)C2)CC1 ZINC000130446958 185968784 /nfs/dbraw/zinc/96/87/84/185968784.db2.gz DLMOLWGICKBKIF-ICSRJNTNSA-N 2 0 315.505 2.938 20 0 DFADRP CC[NH+]1CCC(C[NH2+]Cc2ccc(Br)cn2)CC1 ZINC000070396568 398594000 /nfs/dbraw/zinc/59/40/00/398594000.db2.gz CLYQURKBZZHSSA-UHFFFAOYSA-N 2 0 312.255 2.666 20 0 DFADRP CCOC(=O)[C@@H]1CC[C@H]([NH2+]CCC2(C[NH3+])CC2)c2ccccc21 ZINC000593318204 398597461 /nfs/dbraw/zinc/59/74/61/398597461.db2.gz BAQQGSWACDNMQG-SJORKVTESA-N 2 0 316.445 2.887 20 0 DFADRP C[NH+](C)CC1CC[NH+](Cc2cc3c(c(Cl)c2)OCO3)CC1 ZINC000590125801 398598482 /nfs/dbraw/zinc/59/84/82/398598482.db2.gz NCDBRWUGSCVWNT-UHFFFAOYSA-N 2 0 310.825 2.842 20 0 DFADRP Cc1ccc(NC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)c(C)n1 ZINC000152429047 186071786 /nfs/dbraw/zinc/07/17/86/186071786.db2.gz QWSGLVVWJLUFDQ-GOOCMWNKSA-N 2 0 302.422 2.835 20 0 DFADRP Cc1cccc2c1[C@H](C)C[C@@H]2[NH2+]CCCN1CC[NH+](C)CC1 ZINC000152661808 186095028 /nfs/dbraw/zinc/09/50/28/186095028.db2.gz ZPHLOVYPGSAYLF-AEFFLSMTSA-N 2 0 301.478 2.770 20 0 DFADRP C[C@@H]([NH2+]C[C@H](O)C(C)(C)C)c1cccc(OCC[NH+](C)C)c1 ZINC000164042212 186147267 /nfs/dbraw/zinc/14/72/67/186147267.db2.gz ZQOLATLOUVHHJE-PBHICJAKSA-N 2 0 308.466 2.685 20 0 DFADRP OCCCC[NH2+][C@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000194226174 186270372 /nfs/dbraw/zinc/27/03/72/186270372.db2.gz WIJMHSOQMFLVGN-OTWHNJEPSA-N 2 0 302.462 2.649 20 0 DFADRP C[NH+]1CCC(Oc2ccc(C[NH2+][C@@H]3CCOC3(C)C)cc2)CC1 ZINC000294088745 282713554 /nfs/dbraw/zinc/71/35/54/282713554.db2.gz IUPBSOGEFGKUBF-GOSISDBHSA-N 2 0 318.461 2.817 20 0 DFADRP Cc1ccc(C)c(N2CC[NH+](C[C@@H]3CC[NH2+][C@H](C)C3)CC2)c1 ZINC000414678813 295815120 /nfs/dbraw/zinc/81/51/20/295815120.db2.gz RCRICBFJLPOSRJ-QZTJIDSGSA-N 2 0 301.478 2.814 20 0 DFADRP C[N@@H+]1CCC[C@@H](CC[NH2+]Cc2c[nH]nc2-c2cccs2)C1 ZINC000459723047 299172303 /nfs/dbraw/zinc/17/23/03/299172303.db2.gz CJSQGKNCLKSVDR-ZDUSSCGKSA-N 2 0 304.463 2.960 20 0 DFADRP C[C@@H](CC(=O)Nc1cccc(F)c1)[NH2+]CC[C@@H]1CCC[N@H+](C)C1 ZINC000459725037 299173353 /nfs/dbraw/zinc/17/33/53/299173353.db2.gz FNRVPNAOSJOUDT-GJZGRUSLSA-N 2 0 321.440 2.864 20 0 DFADRP C[C@H](CC(=O)Nc1cccc(F)c1)[NH2+]CC[C@@H]1CCC[N@H+](C)C1 ZINC000459725034 299173331 /nfs/dbraw/zinc/17/33/31/299173331.db2.gz FNRVPNAOSJOUDT-CABCVRRESA-N 2 0 321.440 2.864 20 0 DFADRP CCN(CC)c1ncc(C[NH2+]CC[C@H]2CCC[N@H+](C)C2)s1 ZINC000459732061 299175411 /nfs/dbraw/zinc/17/54/11/299175411.db2.gz LZTXTJTXXWIIGY-CQSZACIVSA-N 2 0 310.511 2.811 20 0 DFADRP [NH3+][C@@H]1CCO[C@H]1C1CC[NH+](Cc2coc3ccccc23)CC1 ZINC000414774323 295820816 /nfs/dbraw/zinc/82/08/16/295820816.db2.gz AYVPJBHZGQRKFR-AEFFLSMTSA-N 2 0 300.402 2.761 20 0 DFADRP C[C@H]([NH3+])CC[NH2+]Cc1cc(Cl)ccc1OC[C@@H]1CCCO1 ZINC000414818373 295821743 /nfs/dbraw/zinc/82/17/43/295821743.db2.gz DVHUVZKTCCGOAX-WFASDCNBSA-N 2 0 312.841 2.725 20 0 DFADRP C[N@@H+]1CCC[C@@H](CC[NH2+]Cc2ccc(Br)cn2)C1 ZINC000459737433 299177152 /nfs/dbraw/zinc/17/71/52/299177152.db2.gz RFWCNUSTIUKODV-LBPRGKRZSA-N 2 0 312.255 2.666 20 0 DFADRP Clc1ccc(-c2n[nH]cc2C[NH2+]C[C@@H]2CCC[NH2+]C2)cc1 ZINC000414822929 295822240 /nfs/dbraw/zinc/82/22/40/295822240.db2.gz DAKWQUAOBHQIGR-GFCCVEGCSA-N 2 0 304.825 2.819 20 0 DFADRP C[C@@H](CCc1ccc2c(c1)OCO2)[NH2+]CC[C@H]1CCC[NH2+]C1 ZINC000414831294 295823532 /nfs/dbraw/zinc/82/35/32/295823532.db2.gz CVRIWXZOCDFWSZ-GOEBONIOSA-N 2 0 304.434 2.716 20 0 DFADRP CC(C)C[C@H](C[NH3+])NC1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000414832053 295823566 /nfs/dbraw/zinc/82/35/66/295823566.db2.gz DDIXITLEEMVGCH-LJQANCHMSA-N 2 0 321.484 2.796 20 0 DFADRP Cc1ccc(Cl)cc1NC(=O)C[C@@H](C)[NH2+]CC[C@@H]1CC[NH2+]C1 ZINC000414828045 295822973 /nfs/dbraw/zinc/82/29/73/295822973.db2.gz IGWRPQJESIUMJM-KGLIPLIRSA-N 2 0 323.868 2.955 20 0 DFADRP Cn1cc(C[NH2+]C[C@H]2CCC[NH2+]C2)c(-c2ccccc2Cl)n1 ZINC000414833943 295823921 /nfs/dbraw/zinc/82/39/21/295823921.db2.gz RWOQNHIPPVMOBD-ZDUSSCGKSA-N 2 0 318.852 2.830 20 0 DFADRP CCOc1cc(C[NH2+]CC[C@@H]2CC[NH2+]C2)ccc1OC(F)F ZINC000414833797 295823981 /nfs/dbraw/zinc/82/39/81/295823981.db2.gz QGLXYSFVKBQBDP-LBPRGKRZSA-N 2 0 314.376 2.776 20 0 DFADRP COCCCOc1cccc(C[NH2+]CC[C@@H]2CCC[NH2+]C2)c1 ZINC000414843264 295825165 /nfs/dbraw/zinc/82/51/65/295825165.db2.gz CCLLCBIGVJURRY-INIZCTEOSA-N 2 0 306.450 2.581 20 0 DFADRP C[C@@H]([NH2+]Cc1cc(Cl)c2c(c1)OCCO2)[C@H]1CCC[NH2+]C1 ZINC000414846936 295825395 /nfs/dbraw/zinc/82/53/95/295825395.db2.gz FMGBBZLDBHEBET-YPMHNXCESA-N 2 0 310.825 2.589 20 0 DFADRP COc1cc(C[NH2+][C@@H](C)[C@@H]2CCC[NH2+]C2)cc(Cl)c1OC ZINC000414847021 295825559 /nfs/dbraw/zinc/82/55/59/295825559.db2.gz FQSCTEDCDLOLIB-WCQYABFASA-N 2 0 312.841 2.835 20 0 DFADRP c1ccc([C@H]2C[C@H](NCCC[NH2+]Cc3cccnc3)CC[NH2+]2)cc1 ZINC000414857576 295827167 /nfs/dbraw/zinc/82/71/67/295827167.db2.gz FBARIDWTJXCFDX-WOJBJXKFSA-N 2 0 324.472 2.644 20 0 DFADRP C[N@@H+]1CCC[C@@H](CC[NH2+]Cc2cnc([C@@H]3CCCO3)s2)C1 ZINC000459744042 299180165 /nfs/dbraw/zinc/18/01/65/299180165.db2.gz XPFQQAPOKPFJJC-ZFWWWQNUSA-N 2 0 309.479 2.816 20 0 DFADRP C[C@H](C[NH3+])C[NH2+]Cc1cn(-c2ccccc2)nc1-c1cccnc1 ZINC000414874131 295828883 /nfs/dbraw/zinc/82/88/83/295828883.db2.gz IDFCURKKOOCFSZ-OAHLLOKOSA-N 2 0 321.428 2.619 20 0 DFADRP C[C@@H](CC[NH3+])[NH2+]Cc1ccc(-n2ccc(C(F)(F)F)n2)cc1 ZINC000414898744 295832036 /nfs/dbraw/zinc/83/20/36/295832036.db2.gz TXERQJQUMRJAMB-NSHDSACASA-N 2 0 312.339 2.718 20 0 DFADRP COc1ccc(CC[C@H](C)[NH2+]CC2(C)CC[NH2+]CC2)cc1O ZINC000414911553 295833931 /nfs/dbraw/zinc/83/39/31/295833931.db2.gz UNJFTFDDKUJNQF-AWEZNQCLSA-N 2 0 306.450 2.701 20 0 DFADRP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(OCC(F)(F)F)cc2)CC[NH2+]1 ZINC000414944052 295838440 /nfs/dbraw/zinc/83/84/40/295838440.db2.gz GFNYWKROKJIZOY-YPMHNXCESA-N 2 0 302.340 2.858 20 0 DFADRP CC(C)[N@H+](C)CC1CC[NH+](CC(=O)N(C)c2ccccc2)CC1 ZINC000590786524 398673807 /nfs/dbraw/zinc/67/38/07/398673807.db2.gz FRMUWGXCUBGYLT-UHFFFAOYSA-N 2 0 317.477 2.702 20 0 DFADRP COCC1(C[NH2+][C@H]2CCC[C@@H](C(F)(F)F)C2)CC[NH2+]CC1 ZINC000414980655 295843750 /nfs/dbraw/zinc/84/37/50/295843750.db2.gz WGRQBAOPNOMUNQ-OLZOCXBDSA-N 2 0 308.388 2.713 20 0 DFADRP COc1ccc(C[C@H](C)C[NH2+][C@@H]2CC[NH2+]CC2(C)C)cc1F ZINC000414974589 295843161 /nfs/dbraw/zinc/84/31/61/295843161.db2.gz NRZBYBZUIOCPDG-SUMWQHHRSA-N 2 0 308.441 2.991 20 0 DFADRP COCC1(C[NH2+][C@@H](C)CCc2cccc(C)c2)CC[NH2+]CC1 ZINC000414978047 295843395 /nfs/dbraw/zinc/84/33/95/295843395.db2.gz SEIPAWADUZXERW-KRWDZBQOSA-N 2 0 304.478 2.922 20 0 DFADRP COCC1(C[NH2+]CCSCc2ccccc2)CC[NH2+]CC1 ZINC000414979796 295843685 /nfs/dbraw/zinc/84/36/85/295843685.db2.gz VMGPKQMKQORJIT-UHFFFAOYSA-N 2 0 308.491 2.526 20 0 DFADRP [NH3+][C@H]1CCC[C@@H](C[NH2+]Cc2c[nH]nc2-c2c(F)cccc2F)C1 ZINC000414994203 295844854 /nfs/dbraw/zinc/84/48/54/295844854.db2.gz LVYNWIMZYAPSIX-YPMHNXCESA-N 2 0 320.387 2.962 20 0 DFADRP [NH3+][C@@H]1CCC[C@H](C[NH2+]Cc2c[nH]nc2-c2ccc(F)cc2)C1 ZINC000414989528 295844440 /nfs/dbraw/zinc/84/44/40/295844440.db2.gz HJSHOQYMWSCPEZ-BLLLJJGKSA-N 2 0 302.397 2.823 20 0 DFADRP C[C@@H]1CCC[C@H]([NH+]2CCC(N[C@H]3C[NH2+]CCC3(F)F)CC2)C1 ZINC000414991133 295844588 /nfs/dbraw/zinc/84/45/88/295844588.db2.gz AJUAGSUUMYUDCJ-KBMXLJTQSA-N 2 0 315.452 2.616 20 0 DFADRP [NH3+][C@@H]1CCC[C@H](C[NH2+]Cc2ccc(OC[C@H]3CCCO3)cc2)C1 ZINC000415003476 295846198 /nfs/dbraw/zinc/84/61/98/295846198.db2.gz XHHJPBRRLORJSX-YQVWRLOYSA-N 2 0 318.461 2.852 20 0 DFADRP COC(=O)c1cc(C[N@@H+]2CCC[C@@H](C)[C@H]2CC[NH3+])c(C)s1 ZINC000593734048 398678983 /nfs/dbraw/zinc/67/89/83/398678983.db2.gz SCLMNGSFAJVBQP-BXUZGUMPSA-N 2 0 310.463 2.792 20 0 DFADRP COc1ccc(CC[C@H](C)[NH2+][C@@H]2C[C@H]2C2CC[NH2+]CC2)cc1 ZINC000415009529 295847063 /nfs/dbraw/zinc/84/70/63/295847063.db2.gz OFORYIUTRBZWAG-ZOCIIQOWSA-N 2 0 302.462 2.994 20 0 DFADRP COc1ccc(-c2n[nH]cc2C[NH2+][C@@H](C)CCCC[NH3+])cc1 ZINC000415010194 295847161 /nfs/dbraw/zinc/84/71/61/295847161.db2.gz GARQPNBCMUPBTQ-ZDUSSCGKSA-N 2 0 302.422 2.692 20 0 DFADRP [NH3+][C@@H]1CCC[C@H](C[NH2+]Cc2cnc(-c3ccncc3)s2)C1 ZINC000415005521 295846418 /nfs/dbraw/zinc/84/64/18/295846418.db2.gz ZKDHNMOFVSEEFG-GXTWGEPZSA-N 2 0 302.447 2.812 20 0 DFADRP COc1cccc2c1CC[C@H]([NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1)C2 ZINC000415003702 295846465 /nfs/dbraw/zinc/84/64/65/295846465.db2.gz GKXYNUJDSJQYHR-RYQLBKOJSA-N 2 0 300.446 2.530 20 0 DFADRP FC(F)COc1ccc(C[NH2+][C@@H]2C[C@H]2C2CC[NH2+]CC2)cc1 ZINC000415005176 295846550 /nfs/dbraw/zinc/84/65/50/295846550.db2.gz ISJOCADFDDVLPV-JKSUJKDBSA-N 2 0 310.388 2.808 20 0 DFADRP CN(C[C@@H]1CC[N@H+](C)C1)C(=O)c1ccc(Nc2cc[nH+]cc2)cc1 ZINC000073424012 398680277 /nfs/dbraw/zinc/68/02/77/398680277.db2.gz JCMURDDVUQWOIM-OAHLLOKOSA-N 2 0 324.428 2.849 20 0 DFADRP C[C@H](CCCC[NH3+])[NH2+]C1CCN(CCc2ccccc2)CC1 ZINC000415015561 295847621 /nfs/dbraw/zinc/84/76/21/295847621.db2.gz OGDNHGSUUGJNFN-QGZVFWFLSA-N 2 0 303.494 2.801 20 0 DFADRP [NH3+][C@@H]1CCC[C@@H](C[NH2+]C2CCN(CCC(F)(F)F)CC2)C1 ZINC000415012474 295847279 /nfs/dbraw/zinc/84/72/79/295847279.db2.gz XIOMKQAMVNNBMP-CHWSQXEVSA-N 2 0 307.404 2.510 20 0 DFADRP CC[N@H+](C)C[C@@H]1CC[NH+](CCC(=O)Nc2ccccc2Cl)C1 ZINC000072859243 191242889 /nfs/dbraw/zinc/24/28/89/191242889.db2.gz FGZUJLBZGMMADS-AWEZNQCLSA-N 2 0 323.868 2.942 20 0 DFADRP C[NH+](C)CC(C)(C)CNC(=O)c1ccc(C[NH+]2CCCC2)cc1 ZINC000073417990 398680707 /nfs/dbraw/zinc/68/07/07/398680707.db2.gz UBEGAMQMDCKDIH-UHFFFAOYSA-N 2 0 317.477 2.600 20 0 DFADRP COc1cccc(NC(=O)C[C@H](C)[NH2+]C[C@@H]2CCC[C@H]([NH3+])C2)c1 ZINC000415014355 295847365 /nfs/dbraw/zinc/84/73/65/295847365.db2.gz ZKCGRBCQJXTDFY-ZNMIVQPWSA-N 2 0 319.449 2.519 20 0 DFADRP C[C@H](CC(=O)Nc1cccc(F)c1)[NH2+]C[C@H]1CCC[C@H]([NH3+])C1 ZINC000415013246 295847466 /nfs/dbraw/zinc/84/74/66/295847466.db2.gz YHCXHXBOWRPLJW-IPYPFGDCSA-N 2 0 307.413 2.650 20 0 DFADRP COc1ccc(CC[C@H](C)[NH2+]C[C@@H]2CCC[C@H]([NH3+])C2)cc1O ZINC000415013629 295847468 /nfs/dbraw/zinc/84/74/68/295847468.db2.gz YPVDYESLDBMRMG-IMJJTQAJSA-N 2 0 306.450 2.829 20 0 DFADRP [NH3+]C[C@@H]1CC[C@@H]([NH2+]Cc2ccccc2OCc2cccnc2)C1 ZINC000415029946 295848870 /nfs/dbraw/zinc/84/88/70/295848870.db2.gz FENYKFXETKOOIU-CRAIPNDOSA-N 2 0 311.429 2.878 20 0 DFADRP [NH3+]C[C@H]1CC[C@H](C[NH2+]CCCc2ccc3c(c2)CCO3)CC1 ZINC000415027500 295848338 /nfs/dbraw/zinc/84/83/38/295848338.db2.gz WPFCNVKTLUXYFY-QAQDUYKDSA-N 2 0 302.462 2.909 20 0 DFADRP C[N@@H+]1CCC[C@@H](CC[NH2+]Cc2cnc(C(F)(F)F)s2)C1 ZINC000459794937 299195032 /nfs/dbraw/zinc/19/50/32/299195032.db2.gz VBOAZXLLAAUXRA-JTQLQIEISA-N 2 0 307.385 2.983 20 0 DFADRP CSc1ccc([C@@H](C)[NH2+]C[C@H](C)CN2CC[NH+](C)CC2)cc1 ZINC000173384557 198209394 /nfs/dbraw/zinc/20/93/94/198209394.db2.gz FFNJUKISRSUWQV-JKSUJKDBSA-N 2 0 321.534 2.943 20 0 DFADRP Clc1ccc(-c2n[nH]cc2C[NH2+]CCC[NH2+]C2CC2)cc1 ZINC000415071090 295854494 /nfs/dbraw/zinc/85/44/94/295854494.db2.gz SFBYIEYWDFVCJP-UHFFFAOYSA-N 2 0 304.825 2.962 20 0 DFADRP COCc1cc(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)ccc1F ZINC000415078044 295855227 /nfs/dbraw/zinc/85/52/27/295855227.db2.gz HZOVJCSNTIILCB-RYQLBKOJSA-N 2 0 306.425 2.982 20 0 DFADRP COc1ccccc1N1CCC([NH2+][C@@H](C)C[C@H]2CCC[NH2+]2)CC1 ZINC000415077536 295855085 /nfs/dbraw/zinc/85/50/85/295855085.db2.gz FKAMPNGUKNVJAN-DOTOQJQBSA-N 2 0 317.477 2.784 20 0 DFADRP C[C@H]1C[C@@H](C[NH2+]CC2CC[NH+](Cc3ccccc3)CC2)CC[NH2+]1 ZINC000415082636 295855918 /nfs/dbraw/zinc/85/59/18/295855918.db2.gz DKXLZBCMISXERP-PXNSSMCTSA-N 3 0 315.505 2.876 20 0 DFADRP CC(C)[C@@H]([NH2+]C[C@@H]1CCC[NH2+]C1)c1ccc2c(c1)OCCO2 ZINC000415081289 295855693 /nfs/dbraw/zinc/85/56/93/295855693.db2.gz MOOJNLQGPSAOIV-RDTXWAMCSA-N 2 0 304.434 2.744 20 0 DFADRP COC1(C[NH2+]Cc2ccc(C[NH+]3CCCC3)cc2)CCOCC1 ZINC000277131642 213315642 /nfs/dbraw/zinc/31/56/42/213315642.db2.gz ZYRKQDIPMCGEJR-UHFFFAOYSA-N 2 0 318.461 2.568 20 0 DFADRP COc1ccc([C@@H](CN[C@@H]2CCC[NH2+]C2)[NH+]2CCCCC2)cc1 ZINC000415089001 295856582 /nfs/dbraw/zinc/85/65/82/295856582.db2.gz WBWMRLBQFNAIKG-IEBWSBKVSA-N 2 0 317.477 2.564 20 0 DFADRP CC(C)[N@H+](C)Cc1cccc(C[NH2+]Cc2ccc(CO)o2)c1 ZINC000174312954 198318092 /nfs/dbraw/zinc/31/80/92/198318092.db2.gz TYGDLCDDBNALJV-UHFFFAOYSA-N 2 0 302.418 2.902 20 0 DFADRP C[C@@H]1C[C@H](C[NH2+]CCc2nc(-c3ccccn3)cs2)CC[NH2+]1 ZINC000415119175 295860618 /nfs/dbraw/zinc/86/06/18/295860618.db2.gz XCFQSSNGHGJTFH-ZIAGYGMSSA-N 2 0 316.474 2.725 20 0 DFADRP COCc1cccc(C[NH2+]CCCC[NH+]2C[C@H](C)O[C@@H](C)C2)c1 ZINC000174315788 198318758 /nfs/dbraw/zinc/31/87/58/198318758.db2.gz ZFOHJYLACICPTO-IRXDYDNUSA-N 2 0 320.477 2.812 20 0 DFADRP C[C@@H]1CCC[C@@H]([NH2+]Cc2ccc(C(=O)NCC[NH+](C)C)cc2)C1 ZINC000174411291 198332060 /nfs/dbraw/zinc/33/20/60/198332060.db2.gz RZLRLITVQLTMQL-CRAIPNDOSA-N 2 0 317.477 2.646 20 0 DFADRP COc1ccc(C[NH+]2CCC([C@@H]3C[C@H]([NH3+])CCO3)CC2)cc1F ZINC000415124680 295861469 /nfs/dbraw/zinc/86/14/69/295861469.db2.gz NAGMIUACZLRRRD-QAPCUYQASA-N 2 0 322.424 2.553 20 0 DFADRP Cc1ccc(CCC[NH+]2CCC([C@H]3C[C@H]([NH3+])CCO3)CC2)cn1 ZINC000415130012 295862525 /nfs/dbraw/zinc/86/25/25/295862525.db2.gz WEXJEZPRZOHVLE-RTBURBONSA-N 2 0 317.477 2.541 20 0 DFADRP CCCN(C(=O)[C@H]([NH3+])CC)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000130366766 283047195 /nfs/dbraw/zinc/04/71/95/283047195.db2.gz CLEAVZRENVQVSR-ZWKOTPCHSA-N 2 0 317.477 2.627 20 0 DFADRP CC[NH+]1CCN(c2ccccc2C[N@H+](C)[C@@H]2CCSC2)CC1 ZINC000130597002 283053650 /nfs/dbraw/zinc/05/36/50/283053650.db2.gz HZNUDVYNUMJMMR-QGZVFWFLSA-N 2 0 319.518 2.766 20 0 DFADRP CC[NH+]1CCN(c2ccccc2C[N@H+](C)[C@H]2CCSC2)CC1 ZINC000130597210 283053683 /nfs/dbraw/zinc/05/36/83/283053683.db2.gz HZNUDVYNUMJMMR-KRWDZBQOSA-N 2 0 319.518 2.766 20 0 DFADRP CC[NH+](CC)[C@H](CNC(=O)C[N@H+](CC)C1CC1)c1ccccc1 ZINC000130700083 283058070 /nfs/dbraw/zinc/05/80/70/283058070.db2.gz CMBYDJREODXVSR-GOSISDBHSA-N 2 0 317.477 2.670 20 0 DFADRP CC[N@H+](Cc1ccc(C(=O)N2CCCC[C@H]2C[NH3+])cc1)C1CC1 ZINC000131111745 283072181 /nfs/dbraw/zinc/07/21/81/283072181.db2.gz KTZAJUQARKQESA-SFHVURJKSA-N 2 0 315.461 2.624 20 0 DFADRP CC(C)[C@H](C(=O)N1CCC[N@@H+](C(C)(C)C)CC1)[NH+]1CCCCC1 ZINC000591163907 398735076 /nfs/dbraw/zinc/73/50/76/398735076.db2.gz XZCZQYCOMUMOQD-QGZVFWFLSA-N 2 0 323.525 2.830 20 0 DFADRP C[NH2+]Cc1cccc(NC(=O)NCC[NH+]2[C@H](C)CCC[C@H]2C)c1 ZINC000415915294 295901523 /nfs/dbraw/zinc/90/15/23/295901523.db2.gz DRJODGVINTUQKS-HUUCEWRRSA-N 2 0 318.465 2.790 20 0 DFADRP CC[NH+](CC)Cc1ccc(C(=O)NCC[N@H+](C)C2CCCC2)o1 ZINC000591321721 398748771 /nfs/dbraw/zinc/74/87/71/398748771.db2.gz LVUHRVOQWWYRRI-UHFFFAOYSA-N 2 0 321.465 2.726 20 0 DFADRP CC[NH2+]Cc1ccccc1NC(=O)N[C@@H](C)C[NH+]1CCCCC1 ZINC000415946142 295905575 /nfs/dbraw/zinc/90/55/75/295905575.db2.gz STFXCAULEZJVBE-HNNXBMFYSA-N 2 0 318.465 2.792 20 0 DFADRP CC(C)CN(C(=O)[C@H](C)[NH+]1CCCCCC1)C1CC[NH+](C)CC1 ZINC000074676860 398759175 /nfs/dbraw/zinc/75/91/75/398759175.db2.gz JQBJUGOBSJAGLB-KRWDZBQOSA-N 2 0 323.525 2.830 20 0 DFADRP CC[NH+](CC)[C@@H](CNC(=O)C[C@H]([NH3+])c1ccccc1)CC(C)C ZINC000236825185 202027899 /nfs/dbraw/zinc/02/78/99/202027899.db2.gz YMZXUJDFVGSZMY-MSOLQXFVSA-N 2 0 319.493 2.949 20 0 DFADRP CC[NH+]1CCN(C[C@H](C)C[NH2+]C[C@H]2C(C)=CCC[C@H]2C)CC1 ZINC000134153811 283175078 /nfs/dbraw/zinc/17/50/78/283175078.db2.gz RCILTENSLFGVAB-QRQLOZEOSA-N 2 0 307.526 2.842 20 0 DFADRP CCO[C@@H]1CCC[NH+](CCCC[N@H+]2CCC[C@H](OCC)C2)C1 ZINC000119030731 398774070 /nfs/dbraw/zinc/77/40/70/398774070.db2.gz RNOOWJOBTKSEML-HDICACEKSA-N 2 0 312.498 2.768 20 0 DFADRP CC(C)CN(CC[NH+](C)C)C(=O)C[C@H](c1ccccc1)[NH+](C)C ZINC000416152030 295925008 /nfs/dbraw/zinc/92/50/08/295925008.db2.gz UNPIQLSLOAPASL-GOSISDBHSA-N 2 0 319.493 2.726 20 0 DFADRP CC[NH+](CC)CCOc1ccc(NC(=O)[C@@H]([NH3+])CC(C)C)cc1 ZINC000236871504 202044496 /nfs/dbraw/zinc/04/44/96/202044496.db2.gz TUDSRPGLWVBBHL-KRWDZBQOSA-N 2 0 321.465 2.719 20 0 DFADRP COc1cccc([C@@H](C)[NH+]2CCC(C[NH+]3CCOCC3)CC2)c1 ZINC000081670772 192309047 /nfs/dbraw/zinc/30/90/47/192309047.db2.gz CCAYNDIECOTETB-MRXNPFEDSA-N 2 0 318.461 2.800 20 0 DFADRP CC[NH+](CC)[C@H](CNC(=O)[C@@H]([NH3+])C(C)(C)C)c1ccsc1 ZINC000236879078 202049118 /nfs/dbraw/zinc/04/91/18/202049118.db2.gz DBIJHGIRONGSQK-ZIAGYGMSSA-N 2 0 311.495 2.621 20 0 DFADRP CC[C@H](C)[C@@H]([NH3+])C(=O)Nc1ccc2ccn(CC[NH+](C)C)c2c1 ZINC000236913767 202067992 /nfs/dbraw/zinc/06/79/92/202067992.db2.gz QAUWXQXRHZCIEI-SUMWQHHRSA-N 2 0 316.449 2.515 20 0 DFADRP CC[NH+](CC)Cc1ccccc1CNC(=O)[C@@]1(C)CCCC[NH2+]1 ZINC000236908507 202065092 /nfs/dbraw/zinc/06/50/92/202065092.db2.gz VYKGWAZJDZXCES-LJQANCHMSA-N 2 0 317.477 2.677 20 0 DFADRP CC[C@@H](C)[C@H]([NH3+])C(=O)NC[C@H](c1ccsc1)[NH+](CC)CC ZINC000236935823 202080657 /nfs/dbraw/zinc/08/06/57/202080657.db2.gz RLTALRHSJVRQFD-YUELXQCFSA-N 2 0 311.495 2.621 20 0 DFADRP CC[C@@]1(C(=O)N2CCC[N@H+](CC3CCCCC3)CC2)CCC[NH2+]1 ZINC000134577455 283192972 /nfs/dbraw/zinc/19/29/72/283192972.db2.gz DTFIBWMINNJROL-IBGZPJMESA-N 2 0 321.509 2.633 20 0 DFADRP CC[NH+]1CCN(CCCC[NH2+]Cc2ccc([C@@H]3C[C@H]3C)o2)CC1 ZINC000236940756 202082098 /nfs/dbraw/zinc/08/20/98/202082098.db2.gz ZALVROPWCZQSRI-SJLPKXTDSA-N 2 0 319.493 2.910 20 0 DFADRP CC[NH+](CC)Cc1cccc(CNC(=O)[C@]2(C)CCCC[NH2+]2)c1 ZINC000236924209 202073474 /nfs/dbraw/zinc/07/34/74/202073474.db2.gz ZVKQAZPEFQTTLE-IBGZPJMESA-N 2 0 317.477 2.677 20 0 DFADRP CCc1ccc([C@@H](CNC(=O)[C@]2(CC)CCC[NH2+]2)[NH+](C)C)cc1 ZINC000134553945 283192078 /nfs/dbraw/zinc/19/20/78/283192078.db2.gz ZXBYDMWDKASEKY-MJGOQNOKSA-N 2 0 317.477 2.500 20 0 DFADRP CCC[C@@H]([NH3+])C(=O)NCc1cccc(C[NH+]2CCC(C)CC2)c1 ZINC000236971901 202102028 /nfs/dbraw/zinc/10/20/28/202102028.db2.gz FHLCBRWGDNTPPD-GOSISDBHSA-N 2 0 317.477 2.662 20 0 DFADRP CC[C@@H](C)[C@@H]([NH3+])C(=O)NCc1ccc(C[NH+](CC)CC)cc1 ZINC000236983571 202107949 /nfs/dbraw/zinc/10/79/49/202107949.db2.gz KEYMMAIHCBAGNO-RHSMWYFYSA-N 2 0 305.466 2.518 20 0 DFADRP CCC[NH+](CCC)CCCC(=O)N1CCCC12CC[NH+](C)CC2 ZINC000372840159 283209180 /nfs/dbraw/zinc/20/91/80/283209180.db2.gz VKOFJRLAADLKCM-UHFFFAOYSA-N 2 0 323.525 2.975 20 0 DFADRP C(C[NH+]1CCC(C[NH+]2CCOCC2)CC1)OC1CCCCCC1 ZINC000123059341 398795509 /nfs/dbraw/zinc/79/55/09/398795509.db2.gz JIGSKPWKUGFWFT-UHFFFAOYSA-N 2 0 324.509 2.770 20 0 DFADRP C[NH+](C)[C@H](CNC(=O)C[C@H]([NH3+])c1ccccc1)C1CCCCC1 ZINC000237192792 202182906 /nfs/dbraw/zinc/18/29/06/202182906.db2.gz QMPUFTRTQIHCBF-ZWKOTPCHSA-N 2 0 317.477 2.703 20 0 DFADRP CC[NH+](CC)Cc1ccc(C[NH2+][C@H](C)Cn2cccn2)cc1 ZINC000137966735 283255787 /nfs/dbraw/zinc/25/57/87/283255787.db2.gz BHHIMLAESVRKQM-MRXNPFEDSA-N 2 0 300.450 2.903 20 0 DFADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]Cc1cccc(Cn2ccnc2)c1 ZINC000151330147 283281298 /nfs/dbraw/zinc/28/12/98/283281298.db2.gz WFKFVUFHWANSGD-GPMSIDNRSA-N 2 0 312.461 2.750 20 0 DFADRP Cc1ccc(C[C@H]([NH2+]C[C@H](O)C[NH+]2CCCCC2)C2CC2)cc1 ZINC000151352675 283282137 /nfs/dbraw/zinc/28/21/37/283282137.db2.gz XEALYAAZRXWCBH-PMACEKPBSA-N 2 0 316.489 2.753 20 0 DFADRP CCC[C@@H](C(=O)NCc1ccccc1C[NH+]1CCCC1)[NH+](C)C ZINC000179280823 199009270 /nfs/dbraw/zinc/00/92/70/199009270.db2.gz XVTNSUMKRURLNQ-SFHVURJKSA-N 2 0 317.477 2.629 20 0 DFADRP CC[C@@H](C(=O)OC)[N@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000179394432 199028144 /nfs/dbraw/zinc/02/81/44/199028144.db2.gz UKXKLOZICJWJGC-KRWDZBQOSA-N 2 0 319.449 2.572 20 0 DFADRP CC(C)[C@H](CCc1ccccc1)[NH2+]CC1CC[NH+](CCO)CC1 ZINC000151865591 283299571 /nfs/dbraw/zinc/29/95/71/283299571.db2.gz FVKWABKLZHLVJY-FQEVSTJZSA-N 2 0 318.505 2.938 20 0 DFADRP C[C@@H](c1ccccc1F)[NH+]1CCC(C[NH+]2CCOCC2)CC1 ZINC000051960077 398828209 /nfs/dbraw/zinc/82/82/09/398828209.db2.gz UNLWTCZKDIVXMT-HNNXBMFYSA-N 2 0 306.425 2.931 20 0 DFADRP COC(=O)c1cc(C[NH2+]CCCCC[NH+]2CCCC2)c(C)o1 ZINC000594609096 398831128 /nfs/dbraw/zinc/83/11/28/398831128.db2.gz FSHQEEBFFSCYFL-UHFFFAOYSA-N 2 0 308.422 2.730 20 0 DFADRP Cc1ccc2c(c1)[C@H]([NH2+]C1CCN(CC[NH+](C)C)CC1)[C@@H](C)C2 ZINC000180078171 199115200 /nfs/dbraw/zinc/11/52/00/199115200.db2.gz RXUSROOQZHDMNW-OXJNMPFZSA-N 2 0 315.505 2.844 20 0 DFADRP CCC[C@H](O)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000180139118 199121869 /nfs/dbraw/zinc/12/18/69/199121869.db2.gz NDHVIYILBLJWHH-IPQPSQTFSA-N 2 0 302.462 2.933 20 0 DFADRP C[C@H](CCCO)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000180163450 199125242 /nfs/dbraw/zinc/12/52/42/199125242.db2.gz SLVJVFQQFYZMGG-BPIHKTFHSA-N 2 0 302.462 2.933 20 0 DFADRP COCC[C@H](C)[NH2+][C@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000180162858 199125481 /nfs/dbraw/zinc/12/54/81/199125481.db2.gz TWIBGGAABZRWFV-WNHJNPCNSA-N 2 0 302.462 2.912 20 0 DFADRP C[C@@H]1C[C@@H]([NH2+]CCCOCCOCc2ccccc2)CC[N@@H+]1C ZINC000180231693 199133894 /nfs/dbraw/zinc/13/38/94/199133894.db2.gz DKPMOLWIJGSOEV-MJGOQNOKSA-N 2 0 320.477 2.682 20 0 DFADRP CCOC(=O)c1ccc(C[N@@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)o1 ZINC000594736827 398852670 /nfs/dbraw/zinc/85/26/70/398852670.db2.gz WNRMVDHUTRVZQD-HNNXBMFYSA-N 2 0 320.433 2.668 20 0 DFADRP C[C@@H](CC(=O)N(CC[NH+](C)C)c1ccccc1)[C@H]1CCC[NH2+]C1 ZINC000237308558 202225989 /nfs/dbraw/zinc/22/59/89/202225989.db2.gz BEVGQHALLJLQPH-IRXDYDNUSA-N 2 0 317.477 2.607 20 0 DFADRP CC(C)[NH+]1CCC([NH2+]CCc2nc3c(cccc3F)n2C)CC1 ZINC000180463011 199161891 /nfs/dbraw/zinc/16/18/91/199161891.db2.gz MNEYGGOUKQYWFI-UHFFFAOYSA-N 2 0 318.440 2.717 20 0 DFADRP COC(=O)[C@@H]1C[C@@H]1[C@H](C)[NH2+]CCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000594926854 398872874 /nfs/dbraw/zinc/87/28/74/398872874.db2.gz WJNLUTGISNAPDS-DMRKSPOLSA-N 2 0 310.482 2.532 20 0 DFADRP CC[N@H+](CCC[NH2+][C@H](C)[C@H]1C[C@@H]1C(=O)OC)C1CCCCC1 ZINC000594944685 398878291 /nfs/dbraw/zinc/87/82/91/398878291.db2.gz BCLCFDXBWCIUOW-OIISXLGYSA-N 2 0 310.482 2.818 20 0 DFADRP COC(=O)[C@@H]1C[C@@H]1[C@@H](C)[NH2+]C1CCC([NH+]2CCC(C)CC2)CC1 ZINC000594934696 398875442 /nfs/dbraw/zinc/87/54/42/398875442.db2.gz FGZVWZTWAPRIFM-QEFFHFBBSA-N 2 0 322.493 2.817 20 0 DFADRP C[NH+]1CCC(O)(C[NH2+][C@@H]2CCC[C@H]2CCc2ccccc2)CC1 ZINC000468551770 299280369 /nfs/dbraw/zinc/28/03/69/299280369.db2.gz FBLRNHOXRLGQKV-RBUKOAKNSA-N 2 0 316.489 2.834 20 0 DFADRP CC[NH+]1CCN([C@@H]2CC[N@H+](CCCc3cccc(C)c3)C2)CC1 ZINC000181103581 199253206 /nfs/dbraw/zinc/25/32/06/199253206.db2.gz BYHFDIPWULYVEP-HXUWFJFHSA-N 2 0 315.505 2.639 20 0 DFADRP COC(=O)c1ccc(CN(C)CC[C@@H]2CCCC[N@@H+]2C)cc1 ZINC000173948615 283391064 /nfs/dbraw/zinc/39/10/64/283391064.db2.gz SKKDDVKWBBHVQR-KRWDZBQOSA-N 2 0 304.434 2.779 20 0 DFADRP CCC[N@@H+]1CC[C@H](C[NH2+]Cc2c(C)[nH]c(C(=O)OCC)c2C)C1 ZINC000598957424 398897091 /nfs/dbraw/zinc/89/70/91/398897091.db2.gz RZSNLXKNVLKJTF-OAHLLOKOSA-N 2 0 321.465 2.630 20 0 DFADRP CCC[N@@H+]1CC[C@@H](C[NH2+]Cc2c(C)[nH]c(C(=O)OCC)c2C)C1 ZINC000598957423 398897299 /nfs/dbraw/zinc/89/72/99/398897299.db2.gz RZSNLXKNVLKJTF-HNNXBMFYSA-N 2 0 321.465 2.630 20 0 DFADRP COC(=O)CC(C)(C)C[C@H](C)[NH2+]CC1CC[NH+](C2CC2)CC1 ZINC000595052442 398898412 /nfs/dbraw/zinc/89/84/12/398898412.db2.gz WXXBHZMBOVORLA-AWEZNQCLSA-N 2 0 310.482 2.818 20 0 DFADRP CCOC(=O)c1[nH]c(C)c(C[NH2+]C[C@@H]2CCCC[N@H+](C)C2)c1C ZINC000598995205 398905070 /nfs/dbraw/zinc/90/50/70/398905070.db2.gz VXVKLHYBMNATRL-HNNXBMFYSA-N 2 0 321.465 2.630 20 0 DFADRP COC(=O)CC1CCC([NH2+][C@@H]2CCCN3CCCC[C@@H]23)CC1 ZINC000599056378 398914351 /nfs/dbraw/zinc/91/43/51/398914351.db2.gz XSTCTWMWEXGLIO-BACDZXNISA-N 2 0 308.466 2.715 20 0 DFADRP C[C@H]1C[C@H](C)C[NH+](CCCCNC(=O)CCC2CC[NH2+]CC2)C1 ZINC000237550732 202279882 /nfs/dbraw/zinc/27/98/82/202279882.db2.gz YNUZTCVAXNVRDT-IRXDYDNUSA-N 2 0 323.525 2.641 20 0 DFADRP C[C@@H](CCNC(=O)C1([NH3+])CCCCC1)[N@H+](C)Cc1ccccc1 ZINC000237559087 202282632 /nfs/dbraw/zinc/28/26/32/202282632.db2.gz IEVZNNMTTDDRSP-INIZCTEOSA-N 2 0 317.477 2.675 20 0 DFADRP CC[NH+](CC)[C@@H](CNC(=O)c1coc(C[NH3+])c1)c1ccsc1 ZINC000188070812 200189872 /nfs/dbraw/zinc/18/98/72/200189872.db2.gz FAZXTKAFGSKZEJ-HNNXBMFYSA-N 2 0 321.446 2.613 20 0 DFADRP C[C@@H]1CCC[C@@](CNC(=O)C[C@@H]([NH3+])c2ccccc2)([NH+](C)C)C1 ZINC000237597665 202298750 /nfs/dbraw/zinc/29/87/50/202298750.db2.gz ZDKZKBXNQRVTDX-SZVBFZGTSA-N 2 0 317.477 2.703 20 0 DFADRP C[C@@]1(C(=O)Nc2ccc(CC[NH+]3CCCC3)cc2)CCC[NH2+]C1 ZINC000237619982 202308114 /nfs/dbraw/zinc/30/81/14/202308114.db2.gz CBCGLNPHMBPHRG-LJQANCHMSA-N 2 0 315.461 2.653 20 0 DFADRP C[C@]1(C(=O)Nc2cccc(C[NH+]3CCCCC3)c2)CC[NH2+]C1 ZINC000237623812 202308419 /nfs/dbraw/zinc/30/84/19/202308419.db2.gz OKGPZHNKIVVKQW-SFHVURJKSA-N 2 0 301.434 2.611 20 0 DFADRP C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)CCCCCC[NH3+])C1 ZINC000237637017 202312730 /nfs/dbraw/zinc/31/27/30/202312730.db2.gz WGHIVEQYODSPRW-IYBDPMFKSA-N 2 0 311.514 2.768 20 0 DFADRP COCC[N@H+](C)CCC[NH2+][C@@H]1CCC[C@H](c2ncccc2C)C1 ZINC000281136163 216103477 /nfs/dbraw/zinc/10/34/77/216103477.db2.gz FLQFNNJOAWROKJ-ZWKOTPCHSA-N 2 0 319.493 2.974 20 0 DFADRP [NH3+][C@@H](C(=O)Nc1ccc(CC[NH+]2CCCC2)cc1)c1ccccc1 ZINC000237857180 202371645 /nfs/dbraw/zinc/37/16/45/202371645.db2.gz AFIQEAVYIOBNNN-LJQANCHMSA-N 2 0 323.440 2.963 20 0 DFADRP CC[C@@H](CO)[NH2+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000188667080 200283918 /nfs/dbraw/zinc/28/39/18/200283918.db2.gz JKESBSOVORLJMF-YDZRNGNQSA-N 2 0 302.462 2.648 20 0 DFADRP C[C@H]([NH2+]C1CCN(CC[NH+](C)C)CC1)[C@@H]1C[C@H]1c1cccs1 ZINC000417309939 296008905 /nfs/dbraw/zinc/00/89/05/296008905.db2.gz GQALTIIZUATCRW-BHYGNILZSA-N 2 0 321.534 2.856 20 0 DFADRP CC[NH+]1CCN([C@H](C)C[NH2+][C@H](C)[C@@H]2C[C@H]2c2cccs2)CC1 ZINC000417324602 296009881 /nfs/dbraw/zinc/00/98/81/296009881.db2.gz PYJRLPNTUZZSPU-WCXIOVBPSA-N 2 0 321.534 2.856 20 0 DFADRP OC[C@@H]1CCC[N@@H+]1CCCC[NH2+]Cc1ccc(Cl)cc1F ZINC000189331157 200382753 /nfs/dbraw/zinc/38/27/53/200382753.db2.gz NYBMCKKIBGSOOA-HNNXBMFYSA-N 2 0 314.832 2.806 20 0 DFADRP O[C@H]1CC[C@@H](C[NH2+][C@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)C1 ZINC000189329888 200382906 /nfs/dbraw/zinc/38/29/06/200382906.db2.gz GKESKQXWQQGAHL-OBKDMQGPSA-N 2 0 314.473 2.648 20 0 DFADRP C[C@@H]([NH2+]C[C@H](O)C[NH+]1CCCCC1)[C@@H]1C[C@H]1c1cccs1 ZINC000417339462 296011834 /nfs/dbraw/zinc/01/18/34/296011834.db2.gz LCTSNDLPJNBOMS-FXUDXRNXSA-N 2 0 308.491 2.677 20 0 DFADRP Cn1cc(C[N@@H+]2CCCC[C@@H]2[C@H](C[NH3+])Cc2ccccc2)cn1 ZINC000471837065 299309318 /nfs/dbraw/zinc/30/93/18/299309318.db2.gz YTISLVYDBJCKFS-RBUKOAKNSA-N 2 0 312.461 2.592 20 0 DFADRP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NCC1([NH+](C)C)CC1 ZINC000417386999 296015685 /nfs/dbraw/zinc/01/56/85/296015685.db2.gz TVZQSUJLTYIXTM-FUHWJXTLSA-N 2 0 301.478 2.581 20 0 DFADRP C[NH+](C)CCCC1CC[NH+]([C@H]2Cc3ccccc3[C@@H]2O)CC1 ZINC000272041447 209411405 /nfs/dbraw/zinc/41/14/05/209411405.db2.gz OREJRDUXAOHRMK-OALUTQOASA-N 2 0 302.462 2.699 20 0 DFADRP C[C@@H]([NH3+])[C@@H](C)C(=O)NC[C@H](c1ccccc1)[NH+]1CCC(C)CC1 ZINC000192100617 296021724 /nfs/dbraw/zinc/02/17/24/296021724.db2.gz DIRNCPWXEYFZOT-JFIYKMOQSA-N 2 0 317.477 2.559 20 0 DFADRP C[C@@H]([NH3+])[C@H](C)C(=O)Nc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000192093993 200816399 /nfs/dbraw/zinc/81/63/99/200816399.db2.gz VPJFXNZMYINOOU-QLFBSQMISA-N 2 0 303.450 2.840 20 0 DFADRP CCO[C@@H](CC[NH+](C)C)C[NH2+][C@H]1CCCNc2ccccc21 ZINC000192942130 200965188 /nfs/dbraw/zinc/96/51/88/200965188.db2.gz UZPYGRNWVZIWRJ-YJBOKZPZSA-N 2 0 305.466 2.880 20 0 DFADRP C[C@@H]1CC(C)(C)C[C@H]1[NH2+]Cc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000193122331 200995609 /nfs/dbraw/zinc/99/56/09/200995609.db2.gz IYAPGDAWQQLFKH-NVXWUHKLSA-N 2 0 316.493 2.748 20 0 DFADRP C[C@H]([NH3+])CCC(=O)NCc1ccc(C[NH+]2CCC(C)CC2)cc1 ZINC000193295586 201023204 /nfs/dbraw/zinc/02/32/04/201023204.db2.gz HUIMVSPJWWQXCG-INIZCTEOSA-N 2 0 317.477 2.662 20 0 DFADRP C[C@@H]([NH3+])CCC(=O)NCc1ccc(C[NH+]2CCC(C)CC2)cc1 ZINC000193295574 201023247 /nfs/dbraw/zinc/02/32/47/201023247.db2.gz HUIMVSPJWWQXCG-MRXNPFEDSA-N 2 0 317.477 2.662 20 0 DFADRP O[C@@H]1CC[C@H](C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC000193349166 201036270 /nfs/dbraw/zinc/03/62/70/201036270.db2.gz UVUYSVDQSNTNHD-FCFHUKJJSA-N 2 0 314.473 2.933 20 0 DFADRP CC[N@H+](Cc1ccc(C(=O)N[C@H]2CCC[NH2+][C@@H]2C)cc1)C(C)C ZINC000193617100 201087675 /nfs/dbraw/zinc/08/76/75/201087675.db2.gz DSNTYSMVLCXIIF-QAPCUYQASA-N 2 0 317.477 2.787 20 0 DFADRP C[NH+](C)CCC1CC[NH+](Cc2cc(F)cc3c2OCOC3)CC1 ZINC000056524892 398977668 /nfs/dbraw/zinc/97/76/68/398977668.db2.gz RKOJJYDOARWPFB-UHFFFAOYSA-N 2 0 322.424 2.856 20 0 DFADRP CC(C)CCn1cccc1C[NH2+]CCCC[NH+]1CCOCC1 ZINC000161666924 398978061 /nfs/dbraw/zinc/97/80/61/398978061.db2.gz SKZXBXYMGSKSJB-UHFFFAOYSA-N 2 0 307.482 2.736 20 0 DFADRP C[C@@H](CC(C)(C)c1ccccc1)[NH2+]CC1(O)CC[NH+](C)CC1 ZINC000271870447 209282317 /nfs/dbraw/zinc/28/23/17/209282317.db2.gz MONNNRRYVZIXFM-INIZCTEOSA-N 2 0 304.478 2.789 20 0 DFADRP c1ccc(CC[N@@H+]2CC[C@H](C[NH2+]C[C@@H]3CCC=CO3)C2)cc1 ZINC000194374327 201212200 /nfs/dbraw/zinc/21/22/00/201212200.db2.gz XJXYSKAVSGEFJY-MOPGFXCFSA-N 2 0 300.446 2.833 20 0 DFADRP C[C@H](CC[NH2+]C[C@H](C)CN1CC[NH+](C)CC1)c1ccccc1 ZINC000194415108 201223024 /nfs/dbraw/zinc/22/30/24/201223024.db2.gz PVWSGINSTCEAHC-ZWKOTPCHSA-N 2 0 303.494 2.653 20 0 DFADRP C[N@H+]1CC=C(C[NH2+]C2CC[NH+](CCc3ccccc3)CC2)CC1 ZINC000271860010 209275871 /nfs/dbraw/zinc/27/58/71/209275871.db2.gz KEPUBSTWRHFBOJ-UHFFFAOYSA-N 3 0 313.489 2.545 20 0 DFADRP C[NH2+][C@H](CC(C)(C)C)C(=O)N[C@H](CCC[NH3+])c1ccccc1 ZINC000417830740 296055646 /nfs/dbraw/zinc/05/56/46/296055646.db2.gz JXHNPIFTDYCVPK-HZPDHXFCSA-N 2 0 305.466 2.607 20 0 DFADRP CC[C@@H](Cc1ccc(OC)c(OC)c1)[NH2+]CC1=CC[N@H+](C)CC1 ZINC000271833227 209253186 /nfs/dbraw/zinc/25/31/86/209253186.db2.gz FEYSDCBWFJMYAB-KRWDZBQOSA-N 2 0 318.461 2.876 20 0 DFADRP C[C@H]1CCCC[N@@H+]1CCCCNC(=O)CC[C@H]1CCC[NH2+]C1 ZINC000621642336 399007756 /nfs/dbraw/zinc/00/77/56/399007756.db2.gz KVPNYCGMSXUXOS-DLBZAZTESA-N 2 0 309.498 2.537 20 0 DFADRP Oc1cccc(CNC2CC[NH+](C[C@H]3CCOC3)CC2)c1Cl ZINC000292941035 223317750 /nfs/dbraw/zinc/31/77/50/223317750.db2.gz AEMXYGWZQLERON-CYBMUJFWSA-N 2 0 324.852 2.636 20 0 DFADRP CC(C)[C@H]1CCCC[C@@H]1[NH2+]CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000475154699 299344818 /nfs/dbraw/zinc/34/48/18/299344818.db2.gz FEIGDCRUICGJPD-MSOLQXFVSA-N 2 0 321.509 2.534 20 0 DFADRP O[C@@H](Cc1ccc(F)cc1)C[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000292951932 223323820 /nfs/dbraw/zinc/32/38/20/223323820.db2.gz CADROBXZFHUVDK-OALUTQOASA-N 2 0 320.452 2.679 20 0 DFADRP C[C@@H]1C[N@H+](CCCc2cncn2C)CC[C@@H]1C(=O)OC(C)(C)C ZINC000599579776 399019368 /nfs/dbraw/zinc/01/93/68/399019368.db2.gz BZNMYFSZXWUFBS-ZBFHGGJFSA-N 2 0 321.465 2.652 20 0 DFADRP C[C@@H]1C[N@H+](CC[C@@H]2CCC[NH+]2C)CC[C@H]1C(=O)OC(C)(C)C ZINC000599587177 399022071 /nfs/dbraw/zinc/02/20/71/399022071.db2.gz DMLGAPWUPMMBKG-OWCLPIDISA-N 2 0 310.482 2.770 20 0 DFADRP C[C@@H]1C[N@H+](CC[C@H]2CCC[NH+]2C)CC[C@@H]1C(=O)OC(C)(C)C ZINC000599587176 399022441 /nfs/dbraw/zinc/02/24/41/399022441.db2.gz DMLGAPWUPMMBKG-OAGGEKHMSA-N 2 0 310.482 2.770 20 0 DFADRP CCOc1cncc(C[N@@H+]2CC[C@H](C)[C@@H](n3ccnc3)C2)c1 ZINC000621719473 399045055 /nfs/dbraw/zinc/04/50/55/399045055.db2.gz OFVSDCNLASUUIM-YOEHRIQHSA-N 2 0 300.406 2.760 20 0 DFADRP CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)[C@H]1CCCC[N@@H+]1C ZINC000606364622 399060081 /nfs/dbraw/zinc/06/00/81/399060081.db2.gz DBYAILRTFUWCOA-GOSISDBHSA-N 2 0 317.477 2.581 20 0 DFADRP CC[C@H](C)[NH2+][C@H](CNC(=O)Nc1ccnc(C)c1)c1ccco1 ZINC000479075018 299372001 /nfs/dbraw/zinc/37/20/01/299372001.db2.gz ADDSQWKBTLTAPV-SWLSCSKDSA-N 2 0 316.405 2.656 20 0 DFADRP C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC1CC[NH+](C2CC2)CC1 ZINC000271774831 209204191 /nfs/dbraw/zinc/20/41/91/209204191.db2.gz COMDGJBEGOKPLN-OXJNMPFZSA-N 2 0 313.489 2.723 20 0 DFADRP CC(=O)N1CC[C@@H]([NH2+]CC[C@H]2CCC[N@@H+](C)C2)c2ccccc21 ZINC000621763133 399071455 /nfs/dbraw/zinc/07/14/55/399071455.db2.gz RCPBCIRROHTVKG-SJLPKXTDSA-N 2 0 315.461 2.806 20 0 DFADRP C[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@@H]21)c1ccc(NC(N)=O)cc1 ZINC000367755647 299386035 /nfs/dbraw/zinc/38/60/35/299386035.db2.gz PYPDHMFROUQSLZ-WBQNTZJQSA-N 2 0 316.449 2.701 20 0 DFADRP C[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@H]21)c1ccc(NC(N)=O)cc1 ZINC000367755646 299386886 /nfs/dbraw/zinc/38/68/86/299386886.db2.gz PYPDHMFROUQSLZ-SJWGOKEGSA-N 2 0 316.449 2.701 20 0 DFADRP C[C@@H]([NH2+]CCCC[N@@H+]1CCC[C@@H]1CO)c1ccc(Cl)cn1 ZINC000274861346 296122038 /nfs/dbraw/zinc/12/20/38/296122038.db2.gz CYMAKXALPJSOIU-UKRRQHHQSA-N 2 0 311.857 2.623 20 0 DFADRP Cc1ccc(C[C@H]([NH2+]C[C@@H](O)C[NH+]2CCCCC2)C(C)C)cc1 ZINC000481027768 299391088 /nfs/dbraw/zinc/39/10/88/299391088.db2.gz VMZHENVPSUOGBA-UXHICEINSA-N 2 0 318.505 2.999 20 0 DFADRP COCCc1nc(C)c([C@H](C)[NH2+]CC2CC[NH+](C)CC2)s1 ZINC000092746369 193187767 /nfs/dbraw/zinc/18/77/67/193187767.db2.gz FIBQPKJKODYLMZ-LBPRGKRZSA-N 2 0 311.495 2.633 20 0 DFADRP CC[C@H](C[NH+]1CCC(CC[NH+]2C[C@H](C)O[C@@H](C)C2)CC1)OC ZINC000419218960 296128299 /nfs/dbraw/zinc/12/82/99/296128299.db2.gz SIGDXRYYBBXIHQ-XYJFISCASA-N 2 0 312.498 2.623 20 0 DFADRP CC[NH+](CC)Cc1ccc(C(=O)N(CC[NH+](C)C)CC(C)C)o1 ZINC000618383414 399100694 /nfs/dbraw/zinc/10/06/94/399100694.db2.gz WCSJPLCYKHUCLM-UHFFFAOYSA-N 2 0 323.481 2.781 20 0 DFADRP CC[N@@H+]1CC[C@@H](C[NH2+][C@H](C)CCc2ccc3c(c2)OCO3)C1 ZINC000261648144 203087848 /nfs/dbraw/zinc/08/78/48/203087848.db2.gz JIHVUPYMPKDRIW-ZBFHGGJFSA-N 2 0 304.434 2.668 20 0 DFADRP COC(=O)[C@@H]1CCCCCC[C@H]1[NH2+]CC[C@@H]1CCCC[N@@H+]1C ZINC000481442752 299396211 /nfs/dbraw/zinc/39/62/11/299396211.db2.gz XMJCFSUHFYIEHO-GVDBMIGSSA-N 2 0 310.482 2.962 20 0 DFADRP Cc1ccc(C[NH2+]CC2=CC[N@H+](C)CC2)c(-c2ccnn2C)c1 ZINC000338456614 284115294 /nfs/dbraw/zinc/11/52/94/284115294.db2.gz LQLHBZODNJZIOD-UHFFFAOYSA-N 2 0 310.445 2.747 20 0 DFADRP Cc1ncccc1OC[C@@H]1CCC[NH+]1CC[C@@H]1CCC[N@H+]1C ZINC000419384639 296138383 /nfs/dbraw/zinc/13/83/83/296138383.db2.gz GQMMJIMGQFPSCE-IRXDYDNUSA-N 2 0 303.450 2.718 20 0 DFADRP Cc1cc(Cl)cc(C[NH2+]C[C@H](C)CN2CC[NH+](C)CC2)c1 ZINC000339236787 284142058 /nfs/dbraw/zinc/14/20/58/284142058.db2.gz IFSDHDJHSGUKLK-HNNXBMFYSA-N 2 0 309.885 2.622 20 0 DFADRP C[C@@H]([NH2+]Cc1ccc(OCCC[NH+](C)C)cc1)[C@H]1CCCO1 ZINC000340195646 284157873 /nfs/dbraw/zinc/15/78/73/284157873.db2.gz VGDQNLYQFGCJPQ-CRAIPNDOSA-N 2 0 306.450 2.674 20 0 DFADRP [NH3+][C@H](CNC(=O)c1cccc(C[NH+]2CCCC2)c1)c1ccccc1 ZINC000262586200 203339569 /nfs/dbraw/zinc/33/95/69/203339569.db2.gz OPQBGIAWYOUFTE-LJQANCHMSA-N 2 0 323.440 2.712 20 0 DFADRP [NH3+][C@H]1CCC[C@H]([NH2+]Cc2cc(Br)ccc2F)C1 ZINC000093215439 193217517 /nfs/dbraw/zinc/21/75/17/193217517.db2.gz XRXGRAXSSNCBOI-RYUDHWBXSA-N 2 0 301.203 2.948 20 0 DFADRP CCC[N@H+](C)C[C@@H]1CCN(C(=O)[C@@H](C)[C@H]([NH3+])c2ccccc2)C1 ZINC000262675486 203377583 /nfs/dbraw/zinc/37/75/83/203377583.db2.gz RRDZCLMARPOORL-BQFCYCMXSA-N 2 0 317.477 2.513 20 0 DFADRP C[C@H](C(=O)N(C)CC[C@H]1CCCC[N@@H+]1C)[C@H]([NH3+])c1ccccc1 ZINC000262681440 203380025 /nfs/dbraw/zinc/38/00/25/203380025.db2.gz XKMGCYIECDJXHE-JQHSSLGASA-N 2 0 317.477 2.655 20 0 DFADRP C[C@@H]1CCCC[N@@H+]1Cc1ccc(NC(=O)C[NH2+]CC2CC2)cc1 ZINC000262680835 203380648 /nfs/dbraw/zinc/38/06/48/203380648.db2.gz XCWNYIOQJUVLDN-OAHLLOKOSA-N 2 0 315.461 2.999 20 0 DFADRP C[C@H]1C[NH+](CCC2CC[NH+](Cc3cc[nH]c3)CC2)C[C@H](C)O1 ZINC000093844353 193318077 /nfs/dbraw/zinc/31/80/77/193318077.db2.gz GIBXYZQRPMCOEM-HOTGVXAUSA-N 2 0 305.466 2.726 20 0 DFADRP CCC[C@H](C(=O)Nc1cccc(OCCC[NH+](C)C)c1)[NH+](C)C ZINC000094130290 193346745 /nfs/dbraw/zinc/34/67/45/193346745.db2.gz LMJJMHMUPRUQRS-QGZVFWFLSA-N 2 0 321.465 2.686 20 0 DFADRP CSc1ccc([C@H](CN[C@@H]2CC[N@H+](C)C[C@@H]2C)[NH+](C)C)cc1 ZINC000340530702 284189307 /nfs/dbraw/zinc/18/93/07/284189307.db2.gz GDQIDPGKYVXMJO-QGTPRVQTSA-N 2 0 321.534 2.941 20 0 DFADRP CSC[C@](C)(O)C[NH2+][C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000274964650 212046896 /nfs/dbraw/zinc/04/68/96/212046896.db2.gz XFKATDJSDFTTNO-CGTJXYLNSA-N 2 0 322.518 2.601 20 0 DFADRP C[C@H]([NH2+][C@H]1CC[C@H](O)CC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000274925759 212038000 /nfs/dbraw/zinc/03/80/00/212038000.db2.gz PUAXHTIDCGBMRS-NQYYFHDYSA-N 2 0 302.462 2.790 20 0 DFADRP CCC[N@H+](CC)Cc1ccc(C(=O)N2CC[C@H]([NH+](C)C)C2)cc1 ZINC000263989394 203667916 /nfs/dbraw/zinc/66/79/16/203667916.db2.gz FTUKMMZIXAZYMJ-SFHVURJKSA-N 2 0 317.477 2.695 20 0 DFADRP COc1cc2c(cc1F)[nH+]ccc2N1CCC[C@@H](C)[C@H]1C[NH3+] ZINC000420178304 296160588 /nfs/dbraw/zinc/16/05/88/296160588.db2.gz AUAQJNNBUUGYIE-BDJLRTHQSA-N 2 0 303.381 2.946 20 0 DFADRP Cc1cc(N2CCC[NH2+]CC2)c2cc(OC(F)F)ccc2[nH+]1 ZINC000420156402 296159875 /nfs/dbraw/zinc/15/98/75/296159875.db2.gz GIKSGONYUXSZQE-UHFFFAOYSA-N 2 0 307.344 2.944 20 0 DFADRP COC[C@@]1(CNc2cc[nH+]c3cc(F)c(OC)cc23)CCC[NH2+]1 ZINC000420245236 296165424 /nfs/dbraw/zinc/16/54/24/296165424.db2.gz FDGVVNBHKVGHIG-KRWDZBQOSA-N 2 0 319.380 2.563 20 0 DFADRP CCCc1cc(N2CC[C@H](N3CC[NH2+]CC3)C2)c2ccccc2[nH+]1 ZINC000420257391 296166238 /nfs/dbraw/zinc/16/62/38/296166238.db2.gz WGKXSXBZAQNFKD-KRWDZBQOSA-N 2 0 324.472 2.671 20 0 DFADRP CN1CC[NH2+]C[C@H]1CNc1cc[nH+]c2cc(C(F)(F)F)ccc12 ZINC000420271088 296167879 /nfs/dbraw/zinc/16/78/79/296167879.db2.gz KARIWNZSJMOAEP-LBPRGKRZSA-N 2 0 324.350 2.569 20 0 DFADRP FC(F)(F)c1ccc2c(NC[C@@H]3C[NH2+]CCO3)cc[nH+]c2c1 ZINC000420273120 296168153 /nfs/dbraw/zinc/16/81/53/296168153.db2.gz CVJPEOVHSMQQLM-NSHDSACASA-N 2 0 311.307 2.654 20 0 DFADRP CCc1ccccc1[C@@H]([NH3+])CNc1ccncc1Br ZINC000420278774 296168701 /nfs/dbraw/zinc/16/87/01/296168701.db2.gz OJXKGVKWMLWEKR-AWEZNQCLSA-N 2 0 320.234 2.940 20 0 DFADRP [NH3+]C[C@H]1CN(c2cc[nH+]c3cc(F)ccc32)CC12CCOCC2 ZINC000420280946 296168961 /nfs/dbraw/zinc/16/89/61/296168961.db2.gz VICBKYJHNFOQEA-ZDUSSCGKSA-N 2 0 315.392 2.566 20 0 DFADRP Cc1cc(N2C[C@H]([NH3+])[C@@H](C)C2)c2cc(OC(F)F)ccc2[nH+]1 ZINC000420278065 296168398 /nfs/dbraw/zinc/16/83/98/296168398.db2.gz NSESHMDCVVZBGP-ZANVPECISA-N 2 0 307.344 2.928 20 0 DFADRP C[C@](C[NH3+])(NCc1cncc(OCc2ccccc2)c1)C1CC1 ZINC000420284656 296169338 /nfs/dbraw/zinc/16/93/38/296169338.db2.gz DCNVPUHRNWTKAU-LJQANCHMSA-N 2 0 311.429 2.878 20 0 DFADRP OCCC[N@H+](CC[C@H]1CC[NH2+]C1)[C@H]1CCCc2ccccc21 ZINC000420294601 296170427 /nfs/dbraw/zinc/17/04/27/296170427.db2.gz BJJDXYXAGXZOHT-APWZRJJASA-N 2 0 302.462 2.748 20 0 DFADRP c1ccc([C@@H]2c3ccccc3CC[N@H+]2CCN2CC[NH2+]CC2)cc1 ZINC000420295748 296170570 /nfs/dbraw/zinc/17/05/70/296170570.db2.gz COVFFHZQZNUZEX-OAQYLSRUSA-N 2 0 321.468 2.539 20 0 DFADRP C[C@@H]1CN(Cc2ccn(-c3ccc(Cl)cc3)n2)CC[C@H]1[NH3+] ZINC000420292329 296170178 /nfs/dbraw/zinc/17/01/78/296170178.db2.gz PGVQTRPKFIRRTK-MLGOLLRUSA-N 2 0 304.825 2.695 20 0 DFADRP C[C@H]([NH3+])[C@H]1CCCN(Cc2ccn(-c3c(F)cccc3F)n2)C1 ZINC000420291863 296170259 /nfs/dbraw/zinc/17/02/59/296170259.db2.gz ODORFUBTCOARLA-STQMWFEESA-N 2 0 320.387 2.710 20 0 DFADRP CC(C)[C@@H]([NH3+])CCN(C)Cc1nc(-c2ccc(F)c(F)c2)no1 ZINC000420292847 296170283 /nfs/dbraw/zinc/17/02/83/296170283.db2.gz QDWVGXSCVHLPCM-AWEZNQCLSA-N 2 0 324.375 2.820 20 0 DFADRP Cc1ccccc1[C@H]1CC[N@H+](C[C@H](O)[C@@H]([NH3+])Cc2ccccc2)C1 ZINC000420299483 296171257 /nfs/dbraw/zinc/17/12/57/296171257.db2.gz ITVMVORHQAAGDC-JBACZVJFSA-N 2 0 324.468 2.715 20 0 DFADRP CCS[C@@H]1CC[C@@H]([N@H+](C)C[C@H](O)[C@@H]([NH3+])Cc2ccccc2)C1 ZINC000420294529 296170705 /nfs/dbraw/zinc/17/07/05/296170705.db2.gz AZUAWFYBLXJIJI-BDXSIMOUSA-N 2 0 322.518 2.523 20 0 DFADRP CCOc1ccccc1NC(=O)CC[N@H+](C)CC[C@H]([NH3+])C(C)C ZINC000420295355 296170711 /nfs/dbraw/zinc/17/07/11/296170711.db2.gz VHWOYCNRTCOQBR-HNNXBMFYSA-N 2 0 321.465 2.719 20 0 DFADRP C[C@@H](c1ccc(F)cc1)[N@H+](C)C[C@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC000420297869 296170826 /nfs/dbraw/zinc/17/08/26/296170826.db2.gz DQRNMRYWBDWCHN-JVPBZIDWSA-N 2 0 316.420 2.749 20 0 DFADRP COc1cc(C[N@H+](C)CC[C@H]2CC[NH2+]C2)c(SC)cc1OC ZINC000420297119 296170868 /nfs/dbraw/zinc/17/08/68/296170868.db2.gz FNCHXZDYAQZZJD-CYBMUJFWSA-N 2 0 324.490 2.857 20 0 DFADRP COc1ccc([C@H](C[NH3+])C[N@@H+]2CCS[C@@H](C(C)C)C2)cc1 ZINC000420296419 296170954 /nfs/dbraw/zinc/17/09/54/296170954.db2.gz DMVZGNGGBFWMGO-NVXWUHKLSA-N 2 0 308.491 2.811 20 0 DFADRP COc1ccc([C@@H](C[NH3+])C[N@@H+]2CCS[C@@H](C(C)C)C2)cc1 ZINC000420296417 296170984 /nfs/dbraw/zinc/17/09/84/296170984.db2.gz DMVZGNGGBFWMGO-DOTOQJQBSA-N 2 0 308.491 2.811 20 0 DFADRP CC(C)[C@H](c1ccccc1Cl)[N@H+](C)CCN1CC[NH2+]CC1 ZINC000420300386 296171146 /nfs/dbraw/zinc/17/11/46/296171146.db2.gz KFYPCUOJOSFPRL-QGZVFWFLSA-N 2 0 309.885 2.874 20 0 DFADRP c1ccc(CC[N@@H+](CC[C@H]2CCC[NH2+]C2)[C@@H]2CCOC2)cc1 ZINC000420301528 296171562 /nfs/dbraw/zinc/17/15/62/296171562.db2.gz LKOFXAUGDUOWPH-RTBURBONSA-N 2 0 302.462 2.710 20 0 DFADRP Fc1cccc(C[N@H+](CC[C@H]2CC[NH2+]C2)C[C@H]2CCCO2)c1 ZINC000420303923 296172071 /nfs/dbraw/zinc/17/20/71/296172071.db2.gz NYKQSEBBAYMMMA-CRAIPNDOSA-N 2 0 306.425 2.806 20 0 DFADRP CC(C)[C@@H](CO)[N@H+](CC[C@H]1CCC[NH2+]C1)Cc1ccccc1 ZINC000420302968 296171827 /nfs/dbraw/zinc/17/18/27/296171827.db2.gz MVBLYMHYHJYWAA-IEBWSBKVSA-N 2 0 304.478 2.895 20 0 DFADRP COc1ccc([C@H](C[NH3+])C[NH+]2CCC(OCC3CC3)CC2)cc1 ZINC000420300709 296171830 /nfs/dbraw/zinc/17/18/30/296171830.db2.gz KJTLMLNUTGQYKT-QGZVFWFLSA-N 2 0 318.461 2.629 20 0 DFADRP Cc1ccc([C@@H]2[C@@H](C)CCC[N@@H+]2CCN2CC[NH2+]CC2)cc1 ZINC000420306628 296172637 /nfs/dbraw/zinc/17/26/37/296172637.db2.gz QPKKMHCYSQXGLY-HKUYNNGSSA-N 2 0 301.478 2.673 20 0 DFADRP COC(=O)c1ccc(CN(CCC[NH3+])Cc2ccccc2)s1 ZINC000420311601 296173208 /nfs/dbraw/zinc/17/32/08/296173208.db2.gz NTPSSOZPYCYDCI-UHFFFAOYSA-N 2 0 318.442 2.886 20 0 DFADRP CN(Cc1cncc(OCc2ccccc2)c1)[C@@H](C[NH3+])C1CC1 ZINC000420312348 296173243 /nfs/dbraw/zinc/17/32/43/296173243.db2.gz IJKIVPAXMZAVLZ-IBGZPJMESA-N 2 0 311.429 2.830 20 0 DFADRP [NH3+]CC[C@@H]1CCCC[N@@H+]1CCC(=O)Nc1ccc(Cl)cc1 ZINC000420311808 296173353 /nfs/dbraw/zinc/17/33/53/296173353.db2.gz HVZMQWSEXHCGCF-HNNXBMFYSA-N 2 0 309.841 2.872 20 0 DFADRP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](CCOc3ccc(Cl)c(F)c3)C[C@H]21 ZINC000420313481 296173791 /nfs/dbraw/zinc/17/37/91/296173791.db2.gz UCEFFYLGBFHJGJ-AXAPSJFSSA-N 2 0 312.816 2.917 20 0 DFADRP [NH3+]CC[C@H]1CCC[N@H+](CCOc2ccc(Cl)c(F)c2)C1 ZINC000420314256 296173890 /nfs/dbraw/zinc/17/38/90/296173890.db2.gz QKZXMENTKYUBOK-GFCCVEGCSA-N 2 0 300.805 2.919 20 0 DFADRP c1ccc2c(c1)cccc2[C@@H]1CCC[N@H+]1CCN1CC[NH2+]CC1 ZINC000420320012 296174449 /nfs/dbraw/zinc/17/44/49/296174449.db2.gz PZUHRKRZSWKWMH-FQEVSTJZSA-N 2 0 309.457 2.882 20 0 DFADRP [NH3+][C@@H](Cc1ccccc1)[C@@H](O)C[N@@H+]1CCC[C@H]1c1ccsc1 ZINC000420318367 296174500 /nfs/dbraw/zinc/17/45/00/296174500.db2.gz OOQQQJGDODMNIL-BZSNNMDCSA-N 2 0 316.470 2.816 20 0 DFADRP CCc1ccc(C[N@H+](C)C[C@H](O)[C@@H]([NH3+])Cc2ccccc2)cc1 ZINC000420318771 296174549 /nfs/dbraw/zinc/17/45/49/296174549.db2.gz OVVZLWXHUSZKCU-PMACEKPBSA-N 2 0 312.457 2.612 20 0 DFADRP c1cc2c(cc1[C@@H]1CCC[N@H+]1CC[C@H]1CCC[NH2+]C1)OCCO2 ZINC000420316044 296174065 /nfs/dbraw/zinc/17/40/65/296174065.db2.gz MFRAWUYWBPHUPV-WBVHZDCISA-N 2 0 316.445 2.984 20 0 DFADRP Cc1cccc(NC(=O)[C@@H](C)[N@@H+]2CCC[C@H](CC[NH3+])C2)c1C ZINC000420317493 296174140 /nfs/dbraw/zinc/17/41/40/296174140.db2.gz UOXJWICVVTUSKE-HZPDHXFCSA-N 2 0 303.450 2.691 20 0 DFADRP CC[C@@H](c1ccc(F)cc1)[N@@H+]1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000420323657 296175127 /nfs/dbraw/zinc/17/51/27/296175127.db2.gz GPLJAPFUVCABAR-WBVHZDCISA-N 2 0 306.425 2.964 20 0 DFADRP CCc1ccccc1NC(=O)[C@H](C)[N@@H+]1CCC[C@H](CC[NH3+])C1 ZINC000420321402 296174887 /nfs/dbraw/zinc/17/48/87/296174887.db2.gz ZZYSQGJVXIISEQ-LSDHHAIUSA-N 2 0 303.450 2.637 20 0 DFADRP [NH3+]C[C@@H]1C[N@H+](CCCc2ccc(Cl)cc2)CC12CCOCC2 ZINC000420328755 296176239 /nfs/dbraw/zinc/17/62/39/296176239.db2.gz MYOXTHYLSKDAEI-MRXNPFEDSA-N 2 0 322.880 2.960 20 0 DFADRP c1ccc(OCCOCC[NH+]2CCC([C@@H]3CCC[NH2+]3)CC2)cc1 ZINC000420331182 296176388 /nfs/dbraw/zinc/17/63/88/296176388.db2.gz BSOLOESLWGEMSJ-IBGZPJMESA-N 2 0 318.461 2.546 20 0 DFADRP FC(F)(F)c1ccc(C[N@@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)nc1 ZINC000420331624 296176412 /nfs/dbraw/zinc/17/64/12/296176412.db2.gz RAZYCSCLZNZZFB-STQMWFEESA-N 2 0 313.367 2.922 20 0 DFADRP CC(C)[N@H+](CCC[NH3+])C[C@H](O)COc1cccc2ccccc21 ZINC000420327293 296175682 /nfs/dbraw/zinc/17/56/82/296175682.db2.gz YEEYDLMLZQQRGQ-KRWDZBQOSA-N 2 0 316.445 2.639 20 0 DFADRP COc1cccc(NC2CC[NH+](CC[C@H]3CC[NH2+]C3)CC2)c1 ZINC000420326609 296175826 /nfs/dbraw/zinc/17/58/26/296175826.db2.gz XPXOOOAHRDIEJI-OAHLLOKOSA-N 2 0 303.450 2.571 20 0 DFADRP C[C@@H](c1nc(-c2ccccc2)no1)[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000420338039 296177159 /nfs/dbraw/zinc/17/71/59/296177159.db2.gz NPSVJZZTUCYHLJ-CWRNSKLLSA-N 2 0 312.417 2.729 20 0 DFADRP [NH3+][C@@H]1CCO[C@H]1C1CC[NH+]([C@@H]2CCCc3ccccc32)CC1 ZINC000420337523 296177272 /nfs/dbraw/zinc/17/72/72/296177272.db2.gz QZAZGHZMCRZPRU-QRVBRYPASA-N 2 0 300.446 2.892 20 0 DFADRP Cc1cc(C)cc(NC(=O)C[N@@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)c1 ZINC000420339006 296177363 /nfs/dbraw/zinc/17/73/63/296177363.db2.gz LJXCDZZEXPVSHG-SJORKVTESA-N 2 0 315.461 2.563 20 0 DFADRP Fc1ccc(OCCC[N@@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)cc1 ZINC000420334978 296176712 /nfs/dbraw/zinc/17/67/12/296176712.db2.gz GZRSGOBVGDKABW-CVEARBPZSA-N 2 0 306.425 2.916 20 0 DFADRP C[C@@H](C(=O)N[C@H]1CCCC[C@H]1C)[NH+]1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000420336665 296177062 /nfs/dbraw/zinc/17/70/62/296177062.db2.gz IZFGDNHPQHPLSB-FZCLSBEQSA-N 2 0 321.509 2.534 20 0 DFADRP CCc1ccccc1NC(=O)C[N@@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000420343846 296177756 /nfs/dbraw/zinc/17/77/56/296177756.db2.gz ROWFWVOIFGCKSI-DLBZAZTESA-N 2 0 315.461 2.509 20 0 DFADRP Cc1sc(NC(=O)C[N@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)c(C)c1C ZINC000420341870 296177808 /nfs/dbraw/zinc/17/78/08/296177808.db2.gz QMOUOIITYOTKFH-GASCZTMLSA-N 2 0 321.490 2.543 20 0 DFADRP Cc1cc(C)cc(NC(=O)[C@H](C)[NH+]2CCC3(CC[NH2+]C3)CC2)c1 ZINC000420342564 296177837 /nfs/dbraw/zinc/17/78/37/296177837.db2.gz RAYWABGSBYZEAA-INIZCTEOSA-N 2 0 315.461 2.706 20 0 DFADRP CCc1ccccc1NC(=O)[C@H](C)[NH+]1CCC2(CC[NH2+]C2)CC1 ZINC000420345098 296178241 /nfs/dbraw/zinc/17/82/41/296178241.db2.gz VFQOPQXLMKRRCD-HNNXBMFYSA-N 2 0 315.461 2.652 20 0 DFADRP Cc1ccc(NC(=O)[C@@H](C)[N@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)c(C)c1 ZINC000420347824 296178297 /nfs/dbraw/zinc/17/82/97/296178297.db2.gz ZJTIPDFOTFVOIE-ZACQAIPSSA-N 2 0 315.461 2.562 20 0 DFADRP CNC(=O)C[C@@H](C)[NH2+]Cc1ccccc1C[NH+]1CCC(C)CC1 ZINC000341974127 284301952 /nfs/dbraw/zinc/30/19/52/284301952.db2.gz VALJFWUZACXQJG-MRXNPFEDSA-N 2 0 317.477 2.533 20 0 DFADRP CNC(=O)C[C@H](C)[NH2+]Cc1ccccc1C[NH+]1CCC(C)CC1 ZINC000341974126 284302025 /nfs/dbraw/zinc/30/20/25/284302025.db2.gz VALJFWUZACXQJG-INIZCTEOSA-N 2 0 317.477 2.533 20 0 DFADRP COc1ccc([C@H](C[NH3+])C[N@@H+]2CCc3ccsc3C2)cc1 ZINC000420358562 296179584 /nfs/dbraw/zinc/17/95/84/296179584.db2.gz JPQQXZYRYJQQSP-OAHLLOKOSA-N 2 0 302.443 2.857 20 0 DFADRP C[C@H](C[NH2+][C@H](c1ccc(F)cc1)C1CC1)CN1CC[NH+](C)CC1 ZINC000271721917 209156828 /nfs/dbraw/zinc/15/68/28/209156828.db2.gz OBPVONNPNFNJOE-BEFAXECRSA-N 2 0 319.468 2.750 20 0 DFADRP CC1(C)C[NH2+]CC[C@H]1[NH2+]CCC(=O)Nc1ccc(Cl)cc1 ZINC000420366437 296181293 /nfs/dbraw/zinc/18/12/93/296181293.db2.gz RCCPDYMWQMBNKZ-CQSZACIVSA-N 2 0 309.841 2.646 20 0 DFADRP COc1ccc([C@@H](C[NH3+])C[N@H+](C)CCc2ncc(C)s2)cc1 ZINC000420368395 296181027 /nfs/dbraw/zinc/18/10/27/296181027.db2.gz WUPNUMIWIWKTLI-HNNXBMFYSA-N 2 0 319.474 2.677 20 0 DFADRP C[C@H](C[NH2+][C@@H](c1ccc(F)cc1)C1CC1)CN1CC[NH+](C)CC1 ZINC000271721918 209156106 /nfs/dbraw/zinc/15/61/06/209156106.db2.gz OBPVONNPNFNJOE-DNVCBOLYSA-N 2 0 319.468 2.750 20 0 DFADRP CC1(C)C[NH2+]CC[C@@H]1[NH2+]CCC(=O)Nc1cccc(Cl)c1 ZINC000420369945 296181680 /nfs/dbraw/zinc/18/16/80/296181680.db2.gz VJRQHKNKLNYTPQ-AWEZNQCLSA-N 2 0 309.841 2.646 20 0 DFADRP Brc1ccc2c(c1)CC[N@@H+](CC[C@@H]1CC[NH2+]C1)C2 ZINC000420375455 296182725 /nfs/dbraw/zinc/18/27/25/296182725.db2.gz PJNMWDKJEIWNQW-LBPRGKRZSA-N 2 0 309.251 2.807 20 0 DFADRP Cc1c(F)cccc1NC(=O)CC[N@@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000420375903 296182736 /nfs/dbraw/zinc/18/27/36/296182736.db2.gz ONHRKMSNVYBAJD-GOSISDBHSA-N 2 0 319.424 2.538 20 0 DFADRP Fc1ccc(N2CC[NH+](CC[C@H]3CC[NH2+]C3)CC2)c(Cl)c1 ZINC000420379768 296183006 /nfs/dbraw/zinc/18/30/06/296183006.db2.gz VQGSNXSJWWJOGL-CYBMUJFWSA-N 2 0 311.832 2.601 20 0 DFADRP COc1ccc(OCC[N@@H+]2CCCC[C@@H]2[C@H]2CC[NH2+]C2)cc1 ZINC000420379938 296183556 /nfs/dbraw/zinc/18/35/56/296183556.db2.gz BSKUWZXWVSOLMM-MAUKXSAKSA-N 2 0 304.434 2.538 20 0 DFADRP [NH3+]C[C@@H]1C[N@H+](CCCSc2ccccc2Cl)CCCO1 ZINC000420384214 296183862 /nfs/dbraw/zinc/18/38/62/296183862.db2.gz GDWFNOSCPWJJHX-CYBMUJFWSA-N 2 0 314.882 2.872 20 0 DFADRP C[C@@H]1CCC[C@@H](CC[N@@H+]2CC3(CC[NH2+]CC3)[C@@H]3COC[C@@H]32)C1 ZINC000420388302 296184920 /nfs/dbraw/zinc/18/49/20/296184920.db2.gz MBAMFWBVMUMRDY-XDNAFOTISA-N 2 0 306.494 2.903 20 0 DFADRP [NH3+]C[C@H]1C[N@H+](CCCOc2ccc3ccccc3c2)CCCO1 ZINC000420392954 296185159 /nfs/dbraw/zinc/18/51/59/296185159.db2.gz QANATRSFPIAIRQ-IBGZPJMESA-N 2 0 314.429 2.658 20 0 DFADRP COc1cccc(OCC[N@@H+]2CCCC[C@@H]2[C@H]2CC[NH2+]C2)c1 ZINC000420406895 296187373 /nfs/dbraw/zinc/18/73/73/296187373.db2.gz UTGDCPTVXAUJIP-MAUKXSAKSA-N 2 0 304.434 2.538 20 0 DFADRP Fc1ccc([C@@H]2OCC[C@H]2[NH2+]CCC2CC[NH2+]CC2)cc1F ZINC000420412247 296187528 /nfs/dbraw/zinc/18/75/28/296187528.db2.gz SGJMVVLGIRFKOY-SJORKVTESA-N 2 0 310.388 2.774 20 0 DFADRP c1cc2c(cc1[C@@H]([NH2+]CC[C@H]1CCC[NH2+]C1)C1CC1)OCCO2 ZINC000420415194 296187861 /nfs/dbraw/zinc/18/78/61/296187861.db2.gz UWEDUDXYAIVDJR-KUHUBIRLSA-N 2 0 316.445 2.888 20 0 DFADRP [NH3+]CCOCC[NH2+][C@H]1CCC[C@H]1c1ccccc1C(F)(F)F ZINC000420421158 296188269 /nfs/dbraw/zinc/18/82/69/296188269.db2.gz YLVKICLVJZGOAA-ZFWWWQNUSA-N 2 0 316.367 2.906 20 0 DFADRP C[N@@H+]1CCCC[C@H]1C(=O)N1CCC(C[NH+]2CCCCCC2)CC1 ZINC000600953412 399185196 /nfs/dbraw/zinc/18/51/96/399185196.db2.gz RIBBWDIEIAZQOJ-SFHVURJKSA-N 2 0 321.509 2.585 20 0 DFADRP COc1cc2[nH+]ccc(N(C)C[C@@H]3CCC[N@@H+]3C)c2cc1OC ZINC000420628643 296193851 /nfs/dbraw/zinc/19/38/51/296193851.db2.gz BIMFECPPOLOZKF-ZDUSSCGKSA-N 2 0 315.417 2.782 20 0 DFADRP CCC(C)(C)[NH2+][C@H](C)C(=O)N[C@@H](C[NH+](C)C)c1ccc(F)cc1 ZINC000288398155 220132046 /nfs/dbraw/zinc/13/20/46/220132046.db2.gz YOXZSWQTRCSMHL-CJNGLKHVSA-N 2 0 323.456 2.711 20 0 DFADRP C[C@@H]1CC[C@H](C(=O)OC(C)(C)C)C[N@@H+]1CC[C@H]1CCC[NH+]1C ZINC000420920251 296212361 /nfs/dbraw/zinc/21/23/61/296212361.db2.gz ARKOFMIDELTFSM-OWCLPIDISA-N 2 0 310.482 2.913 20 0 DFADRP CCN(CCC[NH+]1CCCC1)C(=O)c1ccccc1C[NH+](C)C ZINC000487302017 299456574 /nfs/dbraw/zinc/45/65/74/299456574.db2.gz IXWQITJULCLZAK-UHFFFAOYSA-N 2 0 317.477 2.696 20 0 DFADRP CC[C@@H](C)[NH+]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)CC1 ZINC000622658081 399265371 /nfs/dbraw/zinc/26/53/71/399265371.db2.gz PJAXGBOJILYHGE-AEFFLSMTSA-N 2 0 321.509 2.726 20 0 DFADRP C[C@@H](CC(=O)N(C)c1ccccc1)[NH2+]C1CCC([NH+](C)C)CC1 ZINC000421375589 296250398 /nfs/dbraw/zinc/25/03/98/296250398.db2.gz QOHASMYIUVGMAB-GTPINHCMSA-N 2 0 317.477 2.890 20 0 DFADRP Cc1ccc(-c2n[nH]cc2C[NH2+]C2CCC([NH+](C)C)CC2)o1 ZINC000421381396 296250874 /nfs/dbraw/zinc/25/08/74/296250874.db2.gz ZPKMKRWSLLGJSR-UHFFFAOYSA-N 2 0 302.422 2.941 20 0 DFADRP C[C@@H](c1ccncc1)[NH+]1CCC(OCC[NH+]2CCCC2)CC1 ZINC000608750908 399292747 /nfs/dbraw/zinc/29/27/47/399292747.db2.gz IJCSZAYJKOVTJJ-INIZCTEOSA-N 2 0 303.450 2.719 20 0 DFADRP CN(CCC[NH2+]CC1CCC(C(F)(F)F)CC1)CC[NH+](C)C ZINC000623087830 399324755 /nfs/dbraw/zinc/32/47/55/399324755.db2.gz KIXRBCYBBTXCFD-UHFFFAOYSA-N 2 0 323.447 2.828 20 0 DFADRP CN(CCC[NH2+]Cc1ccc(C(F)(F)F)s1)CC[NH+](C)C ZINC000623087733 399324897 /nfs/dbraw/zinc/32/48/97/399324897.db2.gz FYJYBIDQNHYKAZ-UHFFFAOYSA-N 2 0 323.428 2.740 20 0 DFADRP O=C(NCCCCC[NH+]1CCCCC1)c1ccc2c[nH+]cn2c1 ZINC000283954731 217825404 /nfs/dbraw/zinc/82/54/04/217825404.db2.gz LHONMBYODRTOIW-UHFFFAOYSA-N 2 0 314.433 2.720 20 0 DFADRP CCc1noc(CC)c1C[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000294083532 223840790 /nfs/dbraw/zinc/84/07/90/223840790.db2.gz ALKJBDGQUXVJBZ-UHFFFAOYSA-N 2 0 314.433 2.953 20 0 DFADRP CSC1(C[NH2+][C@@H]2CCc3cccnc3CC2)CC[NH+](C)CC1 ZINC000421857173 296278056 /nfs/dbraw/zinc/27/80/56/296278056.db2.gz PMTUKDPLDFSEJP-MRXNPFEDSA-N 2 0 319.518 2.746 20 0 DFADRP CC1(C)CC[C@@H]1[NH2+]Cc1ccccc1C[NH+]1CCC(O)CC1 ZINC000284449716 218032319 /nfs/dbraw/zinc/03/23/19/218032319.db2.gz SLNXRSJVABZHPA-SFHVURJKSA-N 2 0 302.462 2.922 20 0 DFADRP C[C@@H]([NH2+]CCC1(O)CCC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000284410759 218016982 /nfs/dbraw/zinc/01/69/82/218016982.db2.gz QLDQZMURVOMSOZ-AEFFLSMTSA-N 2 0 302.462 2.792 20 0 DFADRP CC[NH+](CC)Cc1ccc(CNC(=O)CC[C@H]2CC[NH2+]C2)cc1 ZINC000261643225 284736061 /nfs/dbraw/zinc/73/60/61/284736061.db2.gz DHKKTDCRVVEVFZ-KRWDZBQOSA-N 2 0 317.477 2.534 20 0 DFADRP CC[NH+]1CCN(C[C@H](C)C[NH2+]Cc2ccc([C@H]3C[C@@H]3C)o2)CC1 ZINC000105441880 194104020 /nfs/dbraw/zinc/10/40/20/194104020.db2.gz CUQJNJBNMUQMGF-RYRKJORJSA-N 2 0 319.493 2.766 20 0 DFADRP C[C@H]([NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1)c1ccc(-n2cncn2)cc1 ZINC000623340512 399366480 /nfs/dbraw/zinc/36/64/80/399366480.db2.gz LJCAIAHVBDXVAO-GOEBONIOSA-N 2 0 313.449 2.791 20 0 DFADRP C[C@@H]([NH2+][C@H]1CC[N@H+](C)C(C)(C)C1)c1ccc(-n2cncn2)cc1 ZINC000623340514 399366661 /nfs/dbraw/zinc/36/66/61/399366661.db2.gz LJCAIAHVBDXVAO-ZBFHGGJFSA-N 2 0 313.449 2.791 20 0 DFADRP C[N@@H+]1CC[C@@H]([NH2+]CCCN2CCc3ccccc32)CC1(C)C ZINC000623346778 399368121 /nfs/dbraw/zinc/36/81/21/399368121.db2.gz BXHLEJFVNHRZKR-QGZVFWFLSA-N 2 0 301.478 2.902 20 0 DFADRP C[C@@H](C[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1)N1CCc2sccc2C1 ZINC000623347624 399368972 /nfs/dbraw/zinc/36/89/72/399368972.db2.gz GEAZEJPFWRCMEX-HOCLYGCPSA-N 2 0 321.534 2.957 20 0 DFADRP C[NH+](C)C[C@@H](Cc1ccccc1)N[C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623370439 399374423 /nfs/dbraw/zinc/37/44/23/399374423.db2.gz KAVVDHMBBCFDEJ-ZWKOTPCHSA-N 2 0 303.494 2.622 20 0 DFADRP CC[C@H]([NH2+]CC[C@H]([NH3+])Cc1ccccc1)C1(C(=O)OC)CCC1 ZINC000602018358 399385217 /nfs/dbraw/zinc/38/52/17/399385217.db2.gz AOAXATATUWUHAG-IRXDYDNUSA-N 2 0 318.461 2.658 20 0 DFADRP Cn1c(CC[NH2+][C@@H]2CC[N@H+](C)C(C)(C)C2)nc2cc(F)ccc21 ZINC000623425935 399386742 /nfs/dbraw/zinc/38/67/42/399386742.db2.gz VIVIYEAZLZJEHI-CQSZACIVSA-N 2 0 318.440 2.717 20 0 DFADRP CCOC1CC(C[N@H+]2C[C@@H]3C[NH+](Cc4ccccc4)C[C@@H]3C2)C1 ZINC000285346198 218390670 /nfs/dbraw/zinc/39/06/70/218390670.db2.gz PPFUUCRNMZENCU-REPIYIIUSA-N 2 0 314.473 2.865 20 0 DFADRP C[N@@H+]1CC[C@@H]([NH2+]CCc2nnc(-c3ccccc3)o2)CC1(C)C ZINC000623438401 399389624 /nfs/dbraw/zinc/38/96/24/399389624.db2.gz YYUVGTXPLFATSM-OAHLLOKOSA-N 2 0 314.433 2.742 20 0 DFADRP Cc1noc(C2CCC([NH2+][C@H]3CC[N@@H+](C)C(C)(C)C3)CC2)n1 ZINC000623442378 399391105 /nfs/dbraw/zinc/39/11/05/399391105.db2.gz MPLNLDMJCYUTAL-NRXISQOPSA-N 2 0 306.454 2.867 20 0 DFADRP C[C@@H](CN[C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C)[NH+](C)C1CC1 ZINC000268835004 207000670 /nfs/dbraw/zinc/00/06/70/207000670.db2.gz AWJVHINBUGDYNN-FUHIMQAGSA-N 2 0 315.505 2.969 20 0 DFADRP CCOc1ccc(C[N@@H+]2C[C@H](C[NH3+])[C@@H](C)C[C@@H]2C)cc1OC ZINC000422562404 296312573 /nfs/dbraw/zinc/31/25/73/296312573.db2.gz PXOOHNOSECGFGV-DZKIICNBSA-N 2 0 306.450 2.899 20 0 DFADRP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)[C@@H]2CCC[C@H]([NH3+])C2)C1 ZINC000262319120 296312878 /nfs/dbraw/zinc/31/28/78/296312878.db2.gz VHFLKDWRXQEACZ-XDNAFOTISA-N 2 0 321.509 2.617 20 0 DFADRP C[N@@H+]1CC[C@@H]([NH2+][C@@H]2CCOC3(CCSCC3)C2)CC1(C)C ZINC000623467161 399396404 /nfs/dbraw/zinc/39/64/04/399396404.db2.gz ZMJOOXNXTMQVEI-HUUCEWRRSA-N 2 0 312.523 2.894 20 0 DFADRP COc1cc(NCC[NH2+][C@@H]2CC[N@H+](C)C(C)(C)C2)cc(OC)c1 ZINC000623470634 399396632 /nfs/dbraw/zinc/39/66/32/399396632.db2.gz UKJVLQVNNOWUTB-CQSZACIVSA-N 2 0 321.465 2.578 20 0 DFADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]CCc1ccn(-c2ccccc2)n1 ZINC000268887915 207057189 /nfs/dbraw/zinc/05/71/89/207057189.db2.gz XOEAYZZJSPTGQH-MDZRGWNJSA-N 2 0 312.461 2.733 20 0 DFADRP COc1ccc(C[NH+]2CCC(C[NH2+][C@H](C)[C@@H](C)OC)CC2)cc1 ZINC000268879311 207048634 /nfs/dbraw/zinc/04/86/34/207048634.db2.gz FGNGNUNVUMEYGG-HZPDHXFCSA-N 2 0 320.477 2.920 20 0 DFADRP C[C@H](C[N@H+](C)Cc1ccccc1)N[C@H]1CC[NH+](C)C(C)(C)C1 ZINC000623484968 399399791 /nfs/dbraw/zinc/39/97/91/399399791.db2.gz JBMAHAJTQGCWRQ-AEFFLSMTSA-N 2 0 303.494 2.969 20 0 DFADRP C[C@H]([NH2+][C@H]1CCCC[C@H]1O)c1cccc(OCC[NH+](C)C)c1 ZINC000268895627 207064345 /nfs/dbraw/zinc/06/43/45/207064345.db2.gz PAXTXTXBISOWJQ-JCGIZDLHSA-N 2 0 306.450 2.581 20 0 DFADRP COc1cccc2c1CC[C@@H]2[NH2+]CCCC[N@@H+]1CCC[C@@H]1CO ZINC000268925743 207090510 /nfs/dbraw/zinc/09/05/10/207090510.db2.gz PTWLLOLPVNDUOR-QAPCUYQASA-N 2 0 318.461 2.509 20 0 DFADRP CC(C)(C[NH2+][C@H]1CCC[NH2+]CC1)N1CCc2ccccc2C1 ZINC000422705521 296319135 /nfs/dbraw/zinc/31/91/35/296319135.db2.gz RTZIQLXVFQURII-SFHVURJKSA-N 2 0 301.478 2.555 20 0 DFADRP C[C@H](C[NH2+][C@H]1CCCCC[C@@H]1[NH3+])N1CCc2sccc2C1 ZINC000422707589 296319257 /nfs/dbraw/zinc/31/92/57/296319257.db2.gz AMYNXHBRSBOMAF-KBMXLJTQSA-N 2 0 307.507 2.744 20 0 DFADRP CCCC[N@H+](C)CCN[C@@H](c1ccc(OC)cc1)[C@@H]1CCC[NH2+]1 ZINC000422706640 296319284 /nfs/dbraw/zinc/31/92/84/296319284.db2.gz FQLMHVWFMVQQEK-OALUTQOASA-N 2 0 319.493 2.810 20 0 DFADRP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]CCc1cc(Br)ccc1F ZINC000422706944 296319354 /nfs/dbraw/zinc/31/93/54/296319354.db2.gz VHWIGAOGXURHNZ-FZMZJTMJSA-N 2 0 315.230 2.848 20 0 DFADRP CC(=O)Nc1ccc(CC[NH2+][C@H]2C[C@H]([NH3+])c3ccccc32)cc1 ZINC000422708692 296319414 /nfs/dbraw/zinc/31/94/14/296319414.db2.gz CGPFMUFUPKHYOW-OALUTQOASA-N 2 0 309.413 2.922 20 0 DFADRP C[C@H]([NH2+]Cc1ccc(OCc2ccccn2)cc1)[C@H]1CC[NH2+]C1 ZINC000422711322 296320113 /nfs/dbraw/zinc/32/01/13/296320113.db2.gz FTSZPJKFNTYOBR-RDJZCZTQSA-N 2 0 311.429 2.748 20 0 DFADRP CCN(C(=O)C[NH+]1CCC(CC[NH+](C)C)CC1)c1ccccc1 ZINC000056523917 184014921 /nfs/dbraw/zinc/01/49/21/184014921.db2.gz RQIITWREQUXXKD-UHFFFAOYSA-N 2 0 317.477 2.703 20 0 DFADRP C[C@@H]([NH2+]Cc1cccc(NC(=O)C2CCCC2)c1)[C@H]1CC[NH2+]C1 ZINC000422714514 296320460 /nfs/dbraw/zinc/32/04/60/296320460.db2.gz RDRKMHOMLVCOIQ-PBHICJAKSA-N 2 0 315.461 2.903 20 0 DFADRP CN(C)[C@H](C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1)c1ccc(F)cc1 ZINC000422714449 296320491 /nfs/dbraw/zinc/32/04/91/296320491.db2.gz RARAVYOFGVOOBV-FCGDIQPGSA-N 2 0 319.468 2.939 20 0 DFADRP CC[C@H](C[NH2+][C@@H]1CCOC[C@@H]1[C@@H]1CCC[NH2+]1)c1ccccc1 ZINC000422709776 296319938 /nfs/dbraw/zinc/31/99/38/296319938.db2.gz FBGBEHRQFQJEBT-OQIJWPOYSA-N 2 0 302.462 2.927 20 0 DFADRP C[C@H](C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1)N1CCc2ccccc21 ZINC000422712919 296319997 /nfs/dbraw/zinc/31/99/97/296319997.db2.gz IXSWWVUTXAQXJO-OQIJWPOYSA-N 2 0 313.489 2.948 20 0 DFADRP CCOC(=O)C1([C@H](C)[NH2+][C@@H](C)c2ccc(C)cc2)CC[NH2+]CC1 ZINC000422711366 296320069 /nfs/dbraw/zinc/32/00/69/296320069.db2.gz FVQAXRZZCFBKBQ-HOTGVXAUSA-N 2 0 318.461 2.967 20 0 DFADRP C[C@H](C[NH2+][C@@H]1CCCC[C@H]1C[NH3+])N1CCc2ccccc2C1 ZINC000422711887 296320079 /nfs/dbraw/zinc/32/00/79/296320079.db2.gz HQFAORKSQWIOKK-HHXXYDBFSA-N 2 0 301.478 2.540 20 0 DFADRP [NH3+][C@@H]1CCCCC[C@@H]1NC[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000422712327 296320090 /nfs/dbraw/zinc/32/00/90/296320090.db2.gz IISOJWCEBFWJGC-ZCNNSNEGSA-N 2 0 315.505 2.801 20 0 DFADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]C[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000422714603 296320538 /nfs/dbraw/zinc/32/05/38/296320538.db2.gz LFXUVNXCJZVJFC-MISYRCLQSA-N 3 0 315.505 2.529 20 0 DFADRP O=C(Nc1ccc(C[NH2+][C@@H]2CCC[NH2+]CC2)cc1)c1ccco1 ZINC000422714194 296320564 /nfs/dbraw/zinc/32/05/64/296320564.db2.gz KTTJIXUKNCWDDZ-OAHLLOKOSA-N 2 0 313.401 2.764 20 0 DFADRP C[C@H]([NH2+]CC1(O)CC[NH+](C)CC1)c1ccc2c(c1)CCCC2 ZINC000268955445 207119293 /nfs/dbraw/zinc/11/92/93/207119293.db2.gz DIRGUNFOXOZEAB-HNNXBMFYSA-N 2 0 302.462 2.673 20 0 DFADRP CC[C@H](NC[C@H]1CC[N@H+](CCc2ccccc2)C1)[C@@H]1CCC[NH2+]1 ZINC000422722923 296321699 /nfs/dbraw/zinc/32/16/99/296321699.db2.gz ZCVNHHPOACEFNN-AABGKKOBSA-N 2 0 315.505 2.671 20 0 DFADRP CC[C@H]([NH2+]CCc1ccc(NC(C)=O)cc1)[C@H]1CCCC[NH2+]1 ZINC000422722454 296321762 /nfs/dbraw/zinc/32/17/62/296321762.db2.gz XWYFODMRJDKNSC-ZWKOTPCHSA-N 2 0 303.450 2.698 20 0 DFADRP CCC(CC)C(=O)N1CCC([NH2+][C@@H](CC)[C@@H]2CCCC[NH2+]2)CC1 ZINC000422723526 296321821 /nfs/dbraw/zinc/32/18/21/296321821.db2.gz RRYSJUPAIKZZGB-ROUUACIJSA-N 2 0 323.525 2.924 20 0 DFADRP C[C@@H]([NH2+]Cc1ccc(NC(=O)c2ccco2)cc1)[C@@H]1CC[NH2+]C1 ZINC000422720068 296321218 /nfs/dbraw/zinc/32/12/18/296321218.db2.gz RZGRYAOBLRDMOT-UKRRQHHQSA-N 2 0 313.401 2.620 20 0 DFADRP C[NH+](C)C[C@H](Cc1ccccc1)N[C@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000422719951 296321302 /nfs/dbraw/zinc/32/13/02/296321302.db2.gz RSBONDJPZRHGDJ-DBVUQKKJSA-N 2 0 309.457 2.894 20 0 DFADRP CCOc1c(Cl)cc(C[NH2+][C@H](C)[C@H]2CC[NH2+]C2)cc1OC ZINC000422721242 296321332 /nfs/dbraw/zinc/32/13/32/296321332.db2.gz NUEKLOWLORIWRZ-YPMHNXCESA-N 2 0 312.841 2.835 20 0 DFADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@H](O)c2ccc(OC(C)C)cc2)[C@@H](C)C1 ZINC000268971032 207135943 /nfs/dbraw/zinc/13/59/43/207135943.db2.gz ZYBQGBDIXFVIHQ-SNRMKQJTSA-N 2 0 320.477 2.827 20 0 DFADRP C[C@H](C[C@H](C)[NH3+])[NH2+]C1CCN(Cc2ccc(F)c(F)c2)CC1 ZINC000422725315 296322183 /nfs/dbraw/zinc/32/21/83/296322183.db2.gz XWWYRGQZPGCXKS-QWHCGFSZSA-N 2 0 311.420 2.645 20 0 DFADRP CC[C@H](NC[C@@H](c1cccc(OC)c1)[NH+](C)C)[C@@H]1CCCC[NH2+]1 ZINC000422726542 296322254 /nfs/dbraw/zinc/32/22/54/296322254.db2.gz FELHXVTZYTWYHP-FHWLQOOXSA-N 2 0 319.493 2.808 20 0 DFADRP C[C@H](NC[C@@H](c1ccccc1)[NH+]1CCC(C)CC1)C1C[NH2+]C1 ZINC000422730427 296322925 /nfs/dbraw/zinc/32/29/25/296322925.db2.gz DXSASQVKVVUYLZ-LPHOPBHVSA-N 2 0 301.478 2.657 20 0 DFADRP CCc1ccc([C@H](C[NH2+][C@H]2CCCC[C@@H]2C[NH3+])N(C)C)cc1 ZINC000422729473 296322771 /nfs/dbraw/zinc/32/27/71/296322771.db2.gz IDWGLGIKUQBFEL-QYZOEREBSA-N 2 0 303.494 2.959 20 0 DFADRP C[C@@H]1CC[NH2+]CC[C@H]1NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000422731444 296323084 /nfs/dbraw/zinc/32/30/84/296323084.db2.gz LRVWARKICLOGSJ-OAGGEKHMSA-N 2 0 307.507 2.863 20 0 DFADRP COc1ccc([C@H](NC[C@@H](C)[N@H+](C)C2CC2)[C@@H]2CCC[NH2+]2)cc1 ZINC000422732685 296323542 /nfs/dbraw/zinc/32/35/42/296323542.db2.gz AGZUIQWGJOUJIN-CCKFTAQKSA-N 2 0 317.477 2.561 20 0 DFADRP CC1(C)CC([NH2+]CCCN2CCC[C@H]2C(N)=O)CC(C)(C)C1 ZINC000623619287 399428753 /nfs/dbraw/zinc/42/87/53/399428753.db2.gz ZYVGJRBCHYXPEP-HNNXBMFYSA-N 2 0 309.498 2.521 20 0 DFADRP COc1cccc([C@H](C[NH2+][C@H]2CCCCC[C@@H]2[NH3+])N(C)C)c1 ZINC000422733760 296323498 /nfs/dbraw/zinc/32/34/98/296323498.db2.gz ROQHDBSFUISVQL-BZSNNMDCSA-N 2 0 305.466 2.548 20 0 DFADRP Cc1ccc(-c2nn(C)cc2C[NH2+]C[C@H]2CCCC[N@H+](C)C2)o1 ZINC000623656822 399436419 /nfs/dbraw/zinc/43/64/19/399436419.db2.gz CPHAVEWISYNDTF-OAHLLOKOSA-N 2 0 316.449 2.810 20 0 DFADRP COC(=O)c1oc(C[N@@H+]2CC[C@@H](C3CC[NH+](C)CC3)C2)cc1C ZINC000611140167 399438181 /nfs/dbraw/zinc/43/81/81/399438181.db2.gz RPXRYTDLUSTOEP-OAHLLOKOSA-N 2 0 320.433 2.538 20 0 DFADRP Cn1cc(C[NH2+]C[C@@H]2CCCC[N@H+](C)C2)c(-c2cccs2)n1 ZINC000623657730 399438237 /nfs/dbraw/zinc/43/82/37/399438237.db2.gz XQDBKTVQOVXMNV-AWEZNQCLSA-N 2 0 318.490 2.970 20 0 DFADRP COC(=O)c1oc(C[N@@H+]2CC[C@H](C3CC[NH+](C)CC3)C2)cc1C ZINC000611140166 399438268 /nfs/dbraw/zinc/43/82/68/399438268.db2.gz RPXRYTDLUSTOEP-HNNXBMFYSA-N 2 0 320.433 2.538 20 0 DFADRP CCO[C@@H](CC[NH+](C)C)C[NH2+][C@H](C)c1ccc(OC)c(OC)c1 ZINC000269073040 207222080 /nfs/dbraw/zinc/22/20/80/207222080.db2.gz NDBCLUADJPFNPN-ZBFHGGJFSA-N 2 0 324.465 2.711 20 0 DFADRP CC[N@@H+]1CC[C@@H](N(C)Cc2cc(C(=O)OC)cs2)[C@H](C)C1 ZINC000602475645 399455019 /nfs/dbraw/zinc/45/50/19/399455019.db2.gz LXTBOYWVYDEJDH-IUODEOHRSA-N 2 0 310.463 2.697 20 0 DFADRP C[N@@H+]1CCC[C@@H]1CC[NH+](CCCO)[C@@H]1CCc2ccccc21 ZINC000269129718 207261713 /nfs/dbraw/zinc/26/17/13/207261713.db2.gz IUIZWJAEZCFJTC-IEBWSBKVSA-N 2 0 302.462 2.843 20 0 DFADRP C[N@@H+]1CCC[C@H]1CC[NH+]1CCC([C@H](O)c2ccccc2)CC1 ZINC000269138759 207269409 /nfs/dbraw/zinc/26/94/09/207269409.db2.gz YQOYSQAYSABZDX-RBUKOAKNSA-N 2 0 302.462 2.916 20 0 DFADRP CCCCC[N@H+](CC(=O)NC1CC[NH+](C2CC2)CC1)C(C)C ZINC000064508632 184298678 /nfs/dbraw/zinc/29/86/78/184298678.db2.gz HBZIQVIALPBYQX-UHFFFAOYSA-N 2 0 309.498 2.630 20 0 DFADRP CCOC(=O)c1ccc(C[NH2+]CCCC[N@@H+]2CCC[C@H](C)C2)[nH]1 ZINC000602513259 399464948 /nfs/dbraw/zinc/46/49/48/399464948.db2.gz FJOJKIAVLPIMFQ-HNNXBMFYSA-N 2 0 321.465 2.793 20 0 DFADRP COC(=O)c1cc(C[NH2+]CCCC[N@@H+]2CCC[C@@H](C)C2)[nH]c1C ZINC000602513298 399465051 /nfs/dbraw/zinc/46/50/51/399465051.db2.gz FRIIEQZCELHOLM-CQSZACIVSA-N 2 0 321.465 2.711 20 0 DFADRP [NH3+]C[C@@H]1CCC[C@H]1[NH2+]Cc1ccccc1OCC(F)(F)F ZINC000422736620 296323809 /nfs/dbraw/zinc/32/38/09/296323809.db2.gz YKCUZHJSBCRAQW-WCQYABFASA-N 2 0 302.340 2.845 20 0 DFADRP c1ccc2c(c1)O[C@]1(CC[NH2+]C1)C[C@H]2[NH2+]CC1CCSCC1 ZINC000422735739 296323827 /nfs/dbraw/zinc/32/38/27/296323827.db2.gz VBRBJXRRJDCPTQ-SJLPKXTDSA-N 2 0 318.486 2.975 20 0 DFADRP CCC[N@H+](CC)Cc1ccc(C(=O)N[C@](C)(C[NH3+])C2CC2)cc1 ZINC000269215271 207333926 /nfs/dbraw/zinc/33/39/26/207333926.db2.gz PHGKXYQNFOLXQW-LJQANCHMSA-N 2 0 317.477 2.776 20 0 DFADRP CC[C@H](C(=O)N1CCCC[C@@H]1[C@@H](C)[NH3+])[N@H+](C)Cc1ccccc1 ZINC000422735829 296323904 /nfs/dbraw/zinc/32/39/04/296323904.db2.gz WTUBLPXVMAETLR-KBAYOESNSA-N 2 0 317.477 2.625 20 0 DFADRP CC[N@@H+]1CCC[C@H](N[C@H](c2ccc(OC)cc2)[C@@H]2CCC[NH2+]2)C1 ZINC000422738524 296323976 /nfs/dbraw/zinc/32/39/76/296323976.db2.gz JOBAXRSLEQYDAQ-YTQUADARSA-N 2 0 317.477 2.562 20 0 DFADRP CN(C)C(=O)[C@@H]1CCC[C@H]([NH2+][C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)C1 ZINC000422737453 296324186 /nfs/dbraw/zinc/32/41/86/296324186.db2.gz IGMJSXCYDMCAMP-RSJGLCBASA-N 2 0 321.509 2.534 20 0 DFADRP COc1ccccc1[C@@H](C[NH2+][C@H](C)CCCC[NH3+])N1CCCC1 ZINC000422744007 296324882 /nfs/dbraw/zinc/32/48/82/296324882.db2.gz JMWAFLSEWXNDKF-SJLPKXTDSA-N 2 0 319.493 2.939 20 0 DFADRP CC1CC[NH+](Cc2cccc(CN[C@@H]3CCC[C@H]3[NH3+])c2)CC1 ZINC000422740115 296324505 /nfs/dbraw/zinc/32/45/05/296324505.db2.gz MIOZGWMBKJHPEN-RTBURBONSA-N 2 0 301.478 2.888 20 0 DFADRP Cc1c2ccccc2oc1C[NH2+][C@@H]1CCOC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000422748657 296325662 /nfs/dbraw/zinc/32/56/62/296325662.db2.gz VNMZENDKAWQZTN-BRWVUGGUSA-N 2 0 314.429 2.988 20 0 DFADRP C[C@@H](c1ccccc1)[NH+]1CCC(N[C@H]2CCC[NH2+]CC2)CC1 ZINC000422747202 296325764 /nfs/dbraw/zinc/32/57/64/296325764.db2.gz PLYHFWKKZWPQFY-WMZOPIPTSA-N 2 0 301.478 2.944 20 0 DFADRP COc1ccccc1[C@H](CN[C@H]1CCC[C@@H]1C[NH3+])[NH+]1CCCC1 ZINC000422748586 296325778 /nfs/dbraw/zinc/32/57/78/296325778.db2.gz VEZJIGUZQNOSTF-NJAFHUGGSA-N 2 0 317.477 2.549 20 0 DFADRP c1cc2c(s1)CCN(CC[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1)C2 ZINC000422744868 296325252 /nfs/dbraw/zinc/32/52/52/296325252.db2.gz WRYKPXXAZVSNRH-GVDBMIGSSA-N 2 0 319.518 2.617 20 0 DFADRP [NH3+]CC1CCC([NH2+][C@H]2CCCN(c3cccc(F)c3)C2)CC1 ZINC000422753863 296326824 /nfs/dbraw/zinc/32/68/24/296326824.db2.gz FGASCHWRLZUJCW-PREGVCBESA-N 2 0 305.441 2.902 20 0 DFADRP CCOC(=O)C1([C@@H](C)[NH2+][C@@H](C)c2ccccc2)CC[NH2+]CC1 ZINC000422749295 296326135 /nfs/dbraw/zinc/32/61/35/296326135.db2.gz YKQMSPQGNHHOPM-LSDHHAIUSA-N 2 0 304.434 2.659 20 0 DFADRP O=C(Nc1ccc(CC[NH+]2CCCCC2)cc1)[C@H]1CCC[NH2+]C1 ZINC000269237823 207366815 /nfs/dbraw/zinc/36/68/15/207366815.db2.gz HUZJICKRWIJOQV-KRWDZBQOSA-N 2 0 315.461 2.653 20 0 DFADRP CC(C)OCCC[NH2+][C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422754185 296327409 /nfs/dbraw/zinc/32/74/09/296327409.db2.gz GQUHILXYLKHANN-SJLPKXTDSA-N 2 0 304.434 2.647 20 0 DFADRP C[C@@H](CCCC[NH3+])[NH2+]CC1CCN(C(=O)c2ccccc2)CC1 ZINC000422758399 296328109 /nfs/dbraw/zinc/32/81/09/296328109.db2.gz IYWZKOCLHWDMPS-INIZCTEOSA-N 2 0 317.477 2.646 20 0 DFADRP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1[NH2+]CCCSc1ccc(F)cc1 ZINC000422759738 296328154 /nfs/dbraw/zinc/32/81/54/296328154.db2.gz LGJWPLYDWFEUQJ-RCBQFDQVSA-N 2 0 312.454 2.650 20 0 DFADRP CC(C)(C[NH2+][C@@H]1CCOC[C@H]1[C@@H]1CCC[NH2+]1)c1cccc(F)c1 ZINC000422756678 296327667 /nfs/dbraw/zinc/32/76/67/296327667.db2.gz HVQAUGSHTDECFX-OKZBNKHCSA-N 2 0 320.452 2.850 20 0 DFADRP COc1ccc([C@@H](C[NH2+][C@H](C)CCC[NH3+])N2CCCC2)cc1 ZINC000422761377 296328365 /nfs/dbraw/zinc/32/83/65/296328365.db2.gz REDUTHQJHMIDPF-CRAIPNDOSA-N 2 0 305.466 2.549 20 0 DFADRP CC[C@H](N[C@@H]1CC[N@H+](Cc2ccccc2)C1)[C@H]1CCCC[NH2+]1 ZINC000422761523 296328485 /nfs/dbraw/zinc/32/84/85/296328485.db2.gz MVQDVGBLZMHTKV-CEXWTWQISA-N 2 0 301.478 2.771 20 0 DFADRP COc1ccc([C@@H](CN[C@H]2CCC[NH2+]CC2)[NH+]2CCCC2)cc1 ZINC000422760596 296328490 /nfs/dbraw/zinc/32/84/90/296328490.db2.gz QILPCFNZKBMEMK-PKOBYXMFSA-N 2 0 317.477 2.564 20 0 DFADRP C[C@H](Cn1ccnc1)Nc1nccc(N2Cc3ccccc3C2)n1 ZINC000623851804 399479286 /nfs/dbraw/zinc/47/92/86/399479286.db2.gz IEBCSNTXNVUCFO-CQSZACIVSA-N 2 0 320.400 2.694 20 0 DFADRP C[C@H]([NH3+])C[C@H](C)[NH2+][C@H]1CCN(c2ccccc2OC(F)F)C1 ZINC000422762354 296328773 /nfs/dbraw/zinc/32/87/73/296328773.db2.gz NRBQXNSBKGLZIX-AVGNSLFASA-N 2 0 313.392 2.582 20 0 DFADRP C[C@@H](Cn1ccnc1)Nc1nccc(N2Cc3ccccc3C2)n1 ZINC000623851803 399479659 /nfs/dbraw/zinc/47/96/59/399479659.db2.gz IEBCSNTXNVUCFO-AWEZNQCLSA-N 2 0 320.400 2.694 20 0 DFADRP C[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]C2CCC(C(N)=O)CC2)CC1 ZINC000358179050 296328788 /nfs/dbraw/zinc/32/87/88/296328788.db2.gz QVZBLAZDISFRGS-IDMDMSBLSA-N 2 0 321.509 2.663 20 0 DFADRP COc1ccc([C@H](C[NH2+][C@H](C)C[C@H](C)[NH3+])N2CCCC2)cc1 ZINC000422764194 296329275 /nfs/dbraw/zinc/32/92/75/296329275.db2.gz UWFDYSJMYDWVRX-DAYGRLMNSA-N 2 0 305.466 2.548 20 0 DFADRP Cc1cc(F)ccc1N1CCC[C@H]([NH2+][C@H]2CCC[NH2+]CC2)C1 ZINC000422769231 296329910 /nfs/dbraw/zinc/32/99/10/296329910.db2.gz VIWCFEPBUJFJGD-IRXDYDNUSA-N 2 0 305.441 2.835 20 0 DFADRP Cc1nn(-c2ccccc2)c(C)c1C[NH2+][C@@H]1CC[NH2+]CC[C@H]1C ZINC000422768027 296329995 /nfs/dbraw/zinc/32/99/95/296329995.db2.gz NMYNKXDLPLVHFN-AUUYWEPGSA-N 2 0 312.461 2.967 20 0 DFADRP c1ccc(SCC[NH2+][C@@H]2CCOC[C@@H]2[C@@H]2CCC[NH2+]2)cc1 ZINC000422768744 296330108 /nfs/dbraw/zinc/33/01/08/296330108.db2.gz NZZVFJUCHAWJAP-IXDOHACOSA-N 2 0 306.475 2.525 20 0 DFADRP [NH3+]C[C@H]1CCC[C@@H]1[NH2+]CC1(c2ccc(F)cc2)CCOCC1 ZINC000422771102 296330290 /nfs/dbraw/zinc/33/02/90/296330290.db2.gz XQHNWCWJMNJELE-PBHICJAKSA-N 2 0 306.425 2.591 20 0 DFADRP C[C@@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]CCn1cnc2ccccc21 ZINC000422772829 296330656 /nfs/dbraw/zinc/33/06/56/296330656.db2.gz ZQMRWHUBDQWGHJ-CRAIPNDOSA-N 2 0 308.429 2.584 20 0 DFADRP COc1ccc([C@H](N[C@@H]2CC[N@H+](C)[C@@H](C)C2)[C@@H]2CCC[NH2+]2)cc1 ZINC000422776793 296331163 /nfs/dbraw/zinc/33/11/63/296331163.db2.gz DMSKEPSXTDHEDV-FXECBMLZSA-N 2 0 317.477 2.561 20 0 DFADRP C[C@@H]([NH3+])[C@@H](Cc1ccccc1)NC[C@@H](C)[NH+]1CCC(C)CC1 ZINC000422779811 296331591 /nfs/dbraw/zinc/33/15/91/296331591.db2.gz IXMGZEAADJSNKX-ZHALLVOQSA-N 2 0 303.494 2.655 20 0 DFADRP CC[C@@H](CCc1ccccc1)[NH2+]C[C@@H](C)N1CC[NH+](C)CC1 ZINC000623888734 399487703 /nfs/dbraw/zinc/48/77/03/399487703.db2.gz ROHKPZZUMMLWFI-MJGOQNOKSA-N 2 0 303.494 2.623 20 0 DFADRP C[C@H](CN[C@@H](Cc1ccccc1)[C@H](C)[NH3+])[NH+]1CCC(C)CC1 ZINC000422779797 296331733 /nfs/dbraw/zinc/33/17/33/296331733.db2.gz IXMGZEAADJSNKX-AOIWGVFYSA-N 2 0 303.494 2.655 20 0 DFADRP C[C@H](C[NH2+][C@@H]1CCOC[C@@H]1[C@@H]1CCC[NH2+]1)c1ccc(F)cc1F ZINC000422787862 296333031 /nfs/dbraw/zinc/33/30/31/296333031.db2.gz AGUCPEFRWKQYMV-ZYRRHWMLSA-N 2 0 324.415 2.815 20 0 DFADRP C[C@H]([NH2+]Cc1ccccc1C[NH+]1CCCCC1)[C@H]1CC[NH2+]C1 ZINC000422788416 296333036 /nfs/dbraw/zinc/33/30/36/296333036.db2.gz NKBRBBDWKJHRAF-IRXDYDNUSA-N 3 0 301.478 2.760 20 0 DFADRP CC[NH+](CC)[C@H](CN[C@H](C)C[C@H](C)[NH3+])c1cccc(OC)c1 ZINC000422793496 296333613 /nfs/dbraw/zinc/33/36/13/296333613.db2.gz FPROJBNYBBIKQR-HDMKZQKVSA-N 2 0 307.482 2.794 20 0 DFADRP C[C@H]1CC[NH2+]C[C@H]1NCc1ccccc1C[NH+]1CCCCC1 ZINC000422793812 296334038 /nfs/dbraw/zinc/33/40/38/296334038.db2.gz SWEMCLDXIGZLIZ-QFBILLFUSA-N 2 0 301.478 2.760 20 0 DFADRP CC[NH+](CC)[C@H](CN[C@@H]1CCC[NH2+]CC1)c1cccc(OC)c1 ZINC000422794833 296334088 /nfs/dbraw/zinc/33/40/88/296334088.db2.gz GYVQVPZKBZWIDT-IEBWSBKVSA-N 2 0 319.493 2.810 20 0 DFADRP Cc1nc(-c2ccc(CC[NH2+][C@@H](C)C3C[NH2+]C3)s2)cs1 ZINC000422794865 296334200 /nfs/dbraw/zinc/33/42/00/296334200.db2.gz HCEYLYXMKLIMFU-JTQLQIEISA-N 2 0 307.488 2.920 20 0 DFADRP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1[NH2+]CC1CCC(C(F)(F)F)CC1 ZINC000422802447 296335493 /nfs/dbraw/zinc/33/54/93/296335493.db2.gz BMMASVNHRUGLEM-ASUPZPJHSA-N 2 0 308.388 2.697 20 0 DFADRP CC(C)C(=O)Nc1ccc(C[NH2+][C@H]2CCCC[C@@H]2C[NH3+])cc1 ZINC000422798421 296334910 /nfs/dbraw/zinc/33/49/10/296334910.db2.gz QZXGIAZIIGYQPF-WBVHZDCISA-N 2 0 303.450 2.888 20 0 DFADRP C[C@H]([NH3+])[C@H]1COCC[C@H]1[NH2+]Cc1ccc(C(F)(F)F)cc1 ZINC000422797253 296334950 /nfs/dbraw/zinc/33/49/50/296334950.db2.gz LRWOZHABEDEBOU-ZLKJLUDKSA-N 2 0 302.340 2.547 20 0 DFADRP C[C@H](NCc1ccc(C[NH+]2CCCCC2)cc1)[C@H]1CCC[NH2+]1 ZINC000422797126 296334974 /nfs/dbraw/zinc/33/49/74/296334974.db2.gz ZWMWAMHJPWMGGY-QFBILLFUSA-N 2 0 301.478 2.903 20 0 DFADRP C[C@@H](CCC[NH3+])[NH2+]CC1(c2ccc3c(c2)OCCO3)CCCC1 ZINC000422800043 296335167 /nfs/dbraw/zinc/33/51/67/296335167.db2.gz ZGGXTYPIPQFXCD-HNNXBMFYSA-N 2 0 318.461 2.987 20 0 DFADRP CC[NH+](CC)[C@H](CN[C@@H](C)[C@H]1CCC[NH2+]1)c1cccc(OC)c1 ZINC000422798724 296335285 /nfs/dbraw/zinc/33/52/85/296335285.db2.gz SNRNFOCBMQLADV-KFKAGJAMSA-N 2 0 319.493 2.808 20 0 DFADRP C[C@H]([NH3+])[C@H]1COCC[C@H]1[NH2+]CC1(c2ccccc2)CCCC1 ZINC000422803029 296335867 /nfs/dbraw/zinc/33/58/67/296335867.db2.gz CHKGXAIMZKEERF-CGTJXYLNSA-N 2 0 302.462 2.840 20 0 DFADRP COC[C@H](CCC[NH3+])[NH2+]C[C@H]1CCCO[C@@H]1c1ccc(C)cc1 ZINC000422802506 296335919 /nfs/dbraw/zinc/33/59/19/296335919.db2.gz DKFVTQIZTFKYRI-CEXWTWQISA-N 2 0 320.477 2.806 20 0 DFADRP COC[C@H](CCC[NH3+])[NH2+]Cc1cc(Cl)ccc1OC(F)F ZINC000422809019 296336931 /nfs/dbraw/zinc/33/69/31/296336931.db2.gz LRUCRKNGFIIHEC-LBPRGKRZSA-N 2 0 322.783 2.785 20 0 DFADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]Cc1cccc(C[NH+](C)C)c1 ZINC000422811316 296337192 /nfs/dbraw/zinc/33/71/92/296337192.db2.gz UCPJJTJJWAXPLU-CQSZACIVSA-N 3 0 312.461 2.761 20 0 DFADRP C[C@H](NCc1cccc(C[NH+]2CCCC2)c1)[C@H]1CCCC[NH2+]1 ZINC000422811012 296337193 /nfs/dbraw/zinc/33/71/93/296337193.db2.gz SVLQPJCDUGOFRU-QFBILLFUSA-N 2 0 301.478 2.903 20 0 DFADRP CC[C@H](NCc1cccc(C[NH+]2CCCC2)c1)[C@@H]1CCC[NH2+]1 ZINC000422810449 296337245 /nfs/dbraw/zinc/33/72/45/296337245.db2.gz RWHXXHDPKIADIS-OALUTQOASA-N 2 0 301.478 2.903 20 0 DFADRP CCN(CC)C(=O)c1ccc(C[NH2+][C@H]2CCCC[C@H]2C[NH3+])cc1 ZINC000422807271 296336683 /nfs/dbraw/zinc/33/66/83/296336683.db2.gz JPPFGFSDERBZOM-ROUUACIJSA-N 2 0 317.477 2.776 20 0 DFADRP CCN(CC)C(=O)c1ccc(C[NH2+][C@H]2CCCC[C@@H]2C[NH3+])cc1 ZINC000422807269 296336744 /nfs/dbraw/zinc/33/67/44/296336744.db2.gz JPPFGFSDERBZOM-MSOLQXFVSA-N 2 0 317.477 2.776 20 0 DFADRP C[C@H]1CC[NH2+]CC[C@H]1[NH2+]CCC1CCN(CC(F)(F)F)CC1 ZINC000422817249 296338823 /nfs/dbraw/zinc/33/88/23/296338823.db2.gz HCIFEJWVMBANEQ-DZGCQCFKSA-N 2 0 321.431 2.629 20 0 DFADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]CCC1CCN(CC(F)(F)F)CC1 ZINC000422817254 296338835 /nfs/dbraw/zinc/33/88/35/296338835.db2.gz HCIFEJWVMBANEQ-UKRRQHHQSA-N 2 0 321.431 2.629 20 0 DFADRP c1cnn(-c2ccc(CC[NH2+][C@@H]3CCC[C@@H]3[C@@H]3CCC[NH2+]3)cc2)c1 ZINC000422819206 296339045 /nfs/dbraw/zinc/33/90/45/296339045.db2.gz HPXGGGUUBVRDKG-ZCNNSNEGSA-N 2 0 324.472 2.925 20 0 DFADRP c1cnn(-c2ccc(CC[NH2+][C@@H]3CCC[C@H]3[C@@H]3CCC[NH2+]3)cc2)c1 ZINC000422819203 296339061 /nfs/dbraw/zinc/33/90/61/296339061.db2.gz HPXGGGUUBVRDKG-AQNXPRMDSA-N 2 0 324.472 2.925 20 0 DFADRP C[N@H+](CCN[C@@H]1C[C@@H]([NH3+])c2ccccc21)Cc1ccc(F)cc1 ZINC000422818997 296339175 /nfs/dbraw/zinc/33/91/75/296339175.db2.gz LXRXGOOPOXTYHG-RTBURBONSA-N 2 0 313.420 2.992 20 0 DFADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]CC(C)(C)c1ccc2c(c1)OCO2 ZINC000422819886 296339205 /nfs/dbraw/zinc/33/92/05/296339205.db2.gz JFYMESKPERIKQT-UKRRQHHQSA-N 2 0 304.434 2.671 20 0 DFADRP C[C@@H](CCCC[NH3+])[NH2+][C@H](c1nccn1C)c1ccc(F)cc1 ZINC000422815181 296338543 /nfs/dbraw/zinc/33/85/43/296338543.db2.gz XEQKJKFKWQDZSZ-BBRMVZONSA-N 2 0 304.413 2.756 20 0 DFADRP CC(C)(C[NH2+][C@H]1CCCCC[C@H]1[NH3+])c1ccc2c(c1)OCO2 ZINC000422823646 296339547 /nfs/dbraw/zinc/33/95/47/296339547.db2.gz MBKJONUQPSACKY-CABCVRRESA-N 2 0 304.434 2.943 20 0 DFADRP [NH3+]C[C@H]1CCC[C@H]1[NH2+]Cc1ccc(COCC(F)(F)F)cc1 ZINC000422826655 296340001 /nfs/dbraw/zinc/34/00/01/296340001.db2.gz RGHGLWHZVVWDTG-HUUCEWRRSA-N 2 0 316.367 2.983 20 0 DFADRP c1ccc(NCCC[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)nc1 ZINC000422831323 296341153 /nfs/dbraw/zinc/34/11/53/296341153.db2.gz DRFUFRYHCIYQDG-YESZJQIVSA-N 2 0 302.466 2.784 20 0 DFADRP Cc1ccc([C@H](CN[C@@H](C)[C@H]2CCC[NH2+]2)[NH+]2CCCC2)cc1 ZINC000422826728 296340279 /nfs/dbraw/zinc/34/02/79/296340279.db2.gz LYLIHVUDRVMDNV-UHOSZYNNSA-N 2 0 301.478 2.862 20 0 DFADRP C[C@H](c1ccc2ccccc2c1)[N@@H+]1CC[C@H](n2cc(C[NH3+])nn2)C1 ZINC000631846251 399508021 /nfs/dbraw/zinc/50/80/21/399508021.db2.gz WXXPFNYYUGVBSM-KUHUBIRLSA-N 2 0 321.428 2.898 20 0 DFADRP C[C@H](c1cccc2ccccc21)[N@@H+]1CC[C@H](n2cc(C[NH3+])nn2)C1 ZINC000631845833 399508328 /nfs/dbraw/zinc/50/83/28/399508328.db2.gz MDFKKXHYHVEARP-PBHICJAKSA-N 2 0 321.428 2.898 20 0 DFADRP [NH3+][C@@H]1CCCCC[C@H]1[NH2+][C@H]1CCCN(Cc2ccccc2)C1 ZINC000422834329 296341825 /nfs/dbraw/zinc/34/18/25/296341825.db2.gz NSKXCKKABPYVOF-IPMKNSEASA-N 2 0 301.478 2.901 20 0 DFADRP C[C@@H](NC[C@@H]1CCC[N@H+](Cc2cccs2)C1)[C@@H]1CCC[NH2+]1 ZINC000422834949 296341878 /nfs/dbraw/zinc/34/18/78/296341878.db2.gz HZWQVDBPUJQBGD-VYDXJSESSA-N 2 0 307.507 2.690 20 0 DFADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]CC(C)(C)c1ccc2c(c1)OCCO2 ZINC000422834616 296341910 /nfs/dbraw/zinc/34/19/10/296341910.db2.gz ZVUJSDLXXACFJK-ZBFHGGJFSA-N 2 0 318.461 2.713 20 0 DFADRP CN(C)c1ccc(C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)cn1 ZINC000422836455 296341998 /nfs/dbraw/zinc/34/19/98/296341998.db2.gz REKLAPZQPHJBNN-GVDBMIGSSA-N 2 0 302.466 2.548 20 0 DFADRP C1CCC([NH+]2CCC(N[C@@H]3CCC[C@@H]3[C@@H]3CCC[NH2+]3)CC2)C1 ZINC000422840899 296342587 /nfs/dbraw/zinc/34/25/87/296342587.db2.gz USXREOQUSAYDHU-CEXWTWQISA-N 2 0 305.510 2.904 20 0 DFADRP COc1ccccc1N1CCC([NH2+][C@H]2CCCC[C@@H]2C[NH3+])CC1 ZINC000422841034 296342715 /nfs/dbraw/zinc/34/27/15/296342715.db2.gz VBRKYLKKMSWUAY-WBVHZDCISA-N 2 0 317.477 2.771 20 0 DFADRP COc1cc(C[NH+]2CCC([C@H](C)[NH3+])CC2)cc(Cl)c1OC ZINC000347019001 285006262 /nfs/dbraw/zinc/00/62/62/285006262.db2.gz LOTLLNGIAHFGGE-NSHDSACASA-N 2 0 312.841 2.916 20 0 DFADRP CC[C@H](NC1CC[NH+](CCc2ccccc2)CC1)[C@@H]1CCC[NH2+]1 ZINC000422842996 296342956 /nfs/dbraw/zinc/34/29/56/296342956.db2.gz GQKFZCFFFQAZEY-PMACEKPBSA-N 2 0 315.505 2.814 20 0 DFADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]CC1(c2ccccc2)CCOCC1 ZINC000422843093 296343131 /nfs/dbraw/zinc/34/31/31/296343131.db2.gz GYWHTQXBAALMAZ-WMZOPIPTSA-N 2 0 302.462 2.842 20 0 DFADRP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+]CCC(=O)NCc1ccccc1 ZINC000422848472 296344219 /nfs/dbraw/zinc/34/42/19/296344219.db2.gz TYALUZWGDDTHGU-SJLPKXTDSA-N 2 0 317.477 2.593 20 0 DFADRP COc1ccccc1N1CC[C@H](C[NH2+]C2CCC(C[NH3+])CC2)C1 ZINC000422846657 296344077 /nfs/dbraw/zinc/34/40/77/296344077.db2.gz GAVSFLOQPVSBPC-AQFXKWCLSA-N 2 0 317.477 2.629 20 0 DFADRP C[C@H](CC[NH2+][C@@H]1CCOC[C@@H]1[C@@H]1CCC[NH2+]1)c1ccccc1 ZINC000422853346 296345350 /nfs/dbraw/zinc/34/53/50/296345350.db2.gz SAODVYHIFGUDME-OQIJWPOYSA-N 2 0 302.462 2.927 20 0 DFADRP Cc1c(Cl)cccc1NC(=O)CC[NH2+][C@@H](C)[C@H]1CC[NH2+]C1 ZINC000422859643 296346263 /nfs/dbraw/zinc/34/62/63/296346263.db2.gz KOCYLIPBYKPGCT-STQMWFEESA-N 2 0 309.841 2.565 20 0 DFADRP CC[C@H](C(=O)N[C@@H]1CCCC[C@@H]1C[NH3+])[N@H+](C)Cc1ccccc1 ZINC000422866063 296347137 /nfs/dbraw/zinc/34/71/37/296347137.db2.gz PPHRYZBXYHOQOG-KZNAEPCWSA-N 2 0 317.477 2.531 20 0 DFADRP C[C@@H]([NH2+]Cc1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1)C1C[NH2+]C1 ZINC000422866514 296347185 /nfs/dbraw/zinc/34/71/85/296347185.db2.gz QLQUTAWKDNYOKM-JKSUJKDBSA-N 3 0 301.478 2.616 20 0 DFADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]Cc1csc(Br)c1 ZINC000422869618 296347808 /nfs/dbraw/zinc/34/78/08/296347808.db2.gz XTQWJQCWAPEQPV-KOLCDFICSA-N 2 0 303.269 2.988 20 0 DFADRP C[C@@H]([NH2+][C@@H](C)c1ccc(NC(=O)NC2CC2)cc1)[C@H]1CC[NH2+]C1 ZINC000422878352 296349073 /nfs/dbraw/zinc/34/90/73/296349073.db2.gz JACJMWOGXXQHSJ-GUTXKFCHSA-N 2 0 316.449 2.619 20 0 DFADRP C[C@H]1CCC[N@H+](Cc2ccccc2C[NH2+]C2CC[NH2+]CC2)C1 ZINC000422878635 296349124 /nfs/dbraw/zinc/34/91/24/296349124.db2.gz JKQKBTLWGLOHPW-INIZCTEOSA-N 3 0 301.478 2.760 20 0 DFADRP CC[C@H](N[C@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1)[C@@H]1CCC[NH2+]1 ZINC000422879651 296349324 /nfs/dbraw/zinc/34/93/24/296349324.db2.gz VVJPCLYEIAVLRK-BVBHFADKSA-N 2 0 301.478 2.770 20 0 DFADRP C[C@H](N[C@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1)[C@@H]1CCCC[NH2+]1 ZINC000422873756 296348516 /nfs/dbraw/zinc/34/85/16/296348516.db2.gz MBFOMZVZAUHZIA-CAMMJAKZSA-N 2 0 301.478 2.770 20 0 DFADRP C[C@H]1C[C@@H]([NH2+][C@H]2CC[NH2+]CC[C@H]2C)CN1Cc1ccccc1 ZINC000422875573 296348803 /nfs/dbraw/zinc/34/88/03/296348803.db2.gz PFRLDJJEACABJC-JFRXWTBNSA-N 2 0 301.478 2.627 20 0 DFADRP COC1CC([NH2+][C@H]2[C@H](C)C[N@@H+](Cc3ccccc3)C[C@@H]2C)C1 ZINC000347391157 285027958 /nfs/dbraw/zinc/02/79/58/285027958.db2.gz NZXULYKMAFAJSQ-UANBCIQASA-N 2 0 302.462 2.910 20 0 DFADRP Cc1ccccc1C1(C[NH2+][C@H]2CCC[NH2+]CC2)CCOCC1 ZINC000422883224 296350071 /nfs/dbraw/zinc/35/00/71/296350071.db2.gz UMTUURXGHVSYQV-KRWDZBQOSA-N 2 0 302.462 2.775 20 0 DFADRP CC[C@H](C(=O)NCC([NH3+])(CC)CC)[N@H+](C)Cc1ccccc1 ZINC000422883799 296350091 /nfs/dbraw/zinc/35/00/91/296350091.db2.gz VOEMUGXGRDSETC-MRXNPFEDSA-N 2 0 305.466 2.531 20 0 DFADRP CCOc1ccc(C2(C[NH2+][C@@H](C)CCC[NH3+])CCOCC2)cc1 ZINC000422884174 296350137 /nfs/dbraw/zinc/35/01/37/296350137.db2.gz WKKIWOKDZZNIQN-INIZCTEOSA-N 2 0 320.477 2.851 20 0 DFADRP Cc1nc(C)c(CC[NH2+][C@@H](Cc2ccccc2)[C@@H](C)[NH3+])s1 ZINC000422885596 296350521 /nfs/dbraw/zinc/35/05/21/296350521.db2.gz HCTOTYNRRIBMEI-WBMJQRKESA-N 2 0 303.475 2.851 20 0 DFADRP Cc1ccc([C@H](CNC2C[C@H]3CC[C@@H](C2)[NH2+]3)[NH+]2CCCC2)o1 ZINC000422880801 296349702 /nfs/dbraw/zinc/34/97/02/296349702.db2.gz OSJCTZSIZOCORY-WFVVYAPDSA-N 2 0 303.450 2.598 20 0 DFADRP C[C@@H]([NH2+]Cc1ccccc1C[N@@H+]1CCCC[C@@H]1C)C1C[NH2+]C1 ZINC000422880774 296349827 /nfs/dbraw/zinc/34/98/27/296349827.db2.gz MRYWXTZJKUQYRK-JKSUJKDBSA-N 3 0 301.478 2.759 20 0 DFADRP Cc1ccc(Cl)cc1N1CC[C@@H](C[NH2+][C@H](C)C2C[NH2+]C2)C1 ZINC000422881601 296349860 /nfs/dbraw/zinc/34/98/60/296349860.db2.gz QQPWVPVKWHWEST-KGLIPLIRSA-N 2 0 307.869 2.672 20 0 DFADRP COCCOc1ccc([C@H](C)[NH2+][C@@H]2CCC[NH2+]CC2)cc1OC ZINC000422892317 296351543 /nfs/dbraw/zinc/35/15/43/296351543.db2.gz MRORQVOLYJNOPV-GOEBONIOSA-N 2 0 322.449 2.513 20 0 DFADRP Cc1nc(C)c(CC[NH2+][C@H](Cc2ccccc2)[C@@H](C)[NH3+])s1 ZINC000422885595 296350670 /nfs/dbraw/zinc/35/06/70/296350670.db2.gz HCTOTYNRRIBMEI-MLGOLLRUSA-N 2 0 303.475 2.851 20 0 DFADRP Cc1noc(C)c1CC[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000119669298 195013250 /nfs/dbraw/zinc/01/32/50/195013250.db2.gz DIPYBOFJMTWNGY-CRAIPNDOSA-N 2 0 303.450 2.783 20 0 DFADRP C[C@H](NC1[C@H](C)C[NH+](Cc2ccccc2)C[C@H]1C)[C@@H]1CCC[NH2+]1 ZINC000422887060 296350868 /nfs/dbraw/zinc/35/08/68/296350868.db2.gz JXTSWTJYQZGEDB-VXNCWWDNSA-N 2 0 315.505 2.873 20 0 DFADRP CC1CCN(c2ccc(C[NH2+][C@@H]3CCC[C@@H]3C[NH3+])cn2)CC1 ZINC000422886952 296350919 /nfs/dbraw/zinc/35/09/19/296350919.db2.gz AENJUKGZJKSHJP-IAGOWNOFSA-N 2 0 302.466 2.535 20 0 DFADRP COc1cccc(N2CC[C@H](C[NH2+][C@@H](C)[C@@H]3CCCC[NH2+]3)C2)c1 ZINC000422899816 296352721 /nfs/dbraw/zinc/35/27/21/296352721.db2.gz IGZQBYHTSXWDIU-FCEWJHQRSA-N 2 0 317.477 2.642 20 0 DFADRP Cc1ccccc1C[NH+]1CCC(N[C@@H](C)[C@H]2CCC[NH2+]2)CC1 ZINC000422899503 296352747 /nfs/dbraw/zinc/35/27/47/296352747.db2.gz OSAKGLVRCVYKHV-QFBILLFUSA-N 2 0 301.478 2.690 20 0 DFADRP Cc1ccccc1C[NH+]1CCC(N[C@@H](C)[C@@H]2CCC[NH2+]2)CC1 ZINC000422899502 296352780 /nfs/dbraw/zinc/35/27/80/296352780.db2.gz OSAKGLVRCVYKHV-LPHOPBHVSA-N 2 0 301.478 2.690 20 0 DFADRP CC[C@H]([NH2+]C[C@@H]1CCN(c2ccc(F)cc2)C1)[C@@H]1CCC[NH2+]1 ZINC000422901606 296352969 /nfs/dbraw/zinc/35/29/69/296352969.db2.gz SHZPSKOXSCAQSU-WBAXXEDZSA-N 2 0 305.441 2.772 20 0 DFADRP CC[C@H]([NH2+]CCCOCc1ccc(OC)cc1)[C@@H]1CCC[NH2+]1 ZINC000422900745 296353081 /nfs/dbraw/zinc/35/30/81/296353081.db2.gz ASGAIVUMLZOKHK-ROUUACIJSA-N 2 0 306.450 2.722 20 0 DFADRP COc1ccc(COCCC[NH2+][C@H](C)[C@@H]2CCCC[NH2+]2)cc1 ZINC000422902459 296353294 /nfs/dbraw/zinc/35/32/94/296353294.db2.gz DFWBNQNPCWYIEM-QAPCUYQASA-N 2 0 306.450 2.722 20 0 DFADRP C[C@@H]([NH2+]C[C@H]1CCN(c2ccc(F)cc2)C1)[C@@H]1CCCC[NH2+]1 ZINC000422902672 296353471 /nfs/dbraw/zinc/35/34/71/296353471.db2.gz UXUMDLNGNJFPSF-RKVPGOIHSA-N 2 0 305.441 2.772 20 0 DFADRP C[C@H]([NH2+]Cc1ccccc1C[NH+]1C[C@H](C)C[C@@H](C)C1)C1C[NH2+]C1 ZINC000422893988 296351816 /nfs/dbraw/zinc/35/18/16/296351816.db2.gz RXEYBXZEKKSSCO-ZACQAIPSSA-N 3 0 315.505 2.862 20 0 DFADRP Cc1ccccc1C[NH+]1CCC(NC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000422898503 296352401 /nfs/dbraw/zinc/35/24/01/296352401.db2.gz MGOXKYXFIFBRFP-YOFSQIOKSA-N 2 0 313.489 2.832 20 0 DFADRP Cc1nccn1-c1ccc(C[NH2+][C@@H]2CCC[NH2+]CC2)cc1F ZINC000422897593 296352408 /nfs/dbraw/zinc/35/24/08/296352408.db2.gz CGIXKTPKNBCGSI-OAHLLOKOSA-N 2 0 302.397 2.552 20 0 DFADRP Cc1ccccc1CN1CCC([NH2+][C@H]2CC[NH2+]CC[C@H]2C)CC1 ZINC000422897832 296352456 /nfs/dbraw/zinc/35/24/56/296352456.db2.gz KHGZVVDOSZTQCD-XLIONFOSSA-N 2 0 315.505 2.937 20 0 DFADRP C[C@H]1CC[NH2+]CC[C@@H]1[NH2+]CCc1nc(-c2ccncc2)cs1 ZINC000422914593 296355334 /nfs/dbraw/zinc/35/53/34/296355334.db2.gz UVZWDZMJSMKGGS-ZFWWWQNUSA-N 2 0 316.474 2.725 20 0 DFADRP Cc1ccc(C(=O)N2CCC([NH2+][C@H](C)CCCC[NH3+])CC2)cc1 ZINC000422913462 296355439 /nfs/dbraw/zinc/35/54/39/296355439.db2.gz YKSUQSZBDZTRMD-MRXNPFEDSA-N 2 0 317.477 2.707 20 0 DFADRP CCOC(=O)C1([C@H](C)[NH2+][C@H]2C[C@@H]2C2CCCCC2)CC[NH2+]CC1 ZINC000422920113 296355588 /nfs/dbraw/zinc/35/55/88/296355588.db2.gz LNCWXDYEFPUVJI-UAGQMJEPSA-N 2 0 322.493 2.866 20 0 DFADRP CCOC(=O)C1([C@H](C)[NH2+][C@@H]2C[C@@H]2C2CCCCC2)CC[NH2+]CC1 ZINC000422920114 296355669 /nfs/dbraw/zinc/35/56/69/296355669.db2.gz LNCWXDYEFPUVJI-USXIJHARSA-N 2 0 322.493 2.866 20 0 DFADRP Clc1ccc(C[NH2+][C@@H]2CCOC[C@H]2[C@H]2CCC[NH2+]2)s1 ZINC000422925253 296356062 /nfs/dbraw/zinc/35/60/62/296356062.db2.gz ASONIOOSWNQBEG-YNEHKIRRSA-N 2 0 300.855 2.648 20 0 DFADRP C[C@H]1CC[NH2+]CC[C@@H]1[NH2+]Cc1ccc(Br)s1 ZINC000422925273 296356137 /nfs/dbraw/zinc/35/61/37/296356137.db2.gz ATUIZYQVGGDUMT-ONGXEEELSA-N 2 0 303.269 2.988 20 0 DFADRP CCC[C@H]([NH2+][C@@H](C)C[C@H](C)[NH3+])C(=O)N1CCc2sccc2C1 ZINC000422913309 296354862 /nfs/dbraw/zinc/35/48/62/296354862.db2.gz YEQXRBYRKIAHMN-YDHLFZDLSA-N 2 0 323.506 2.517 20 0 DFADRP C[C@H]([NH3+])C[C@H](C)[NH2+][C@@H]1CCCN(Cc2c(F)cccc2F)C1 ZINC000422910855 296355082 /nfs/dbraw/zinc/35/50/82/296355082.db2.gz RPWXUGRYWZDVND-MELADBBJSA-N 2 0 311.420 2.645 20 0 DFADRP COc1ccc(C[NH2+][C@@H](C)c2ccc(C[NH3+])nc2C)c(F)c1 ZINC000422927096 296356472 /nfs/dbraw/zinc/35/64/72/296356472.db2.gz FLCBLPRKGPJHAG-NSHDSACASA-N 2 0 303.381 2.847 20 0 DFADRP CC[C@H]([NH2+]CCCOc1cc(OC)cc(OC)c1)[C@@H]1CCC[NH2+]1 ZINC000422926979 296356506 /nfs/dbraw/zinc/35/65/06/296356506.db2.gz FIWPADSDUGOFSA-ROUUACIJSA-N 2 0 322.449 2.593 20 0 DFADRP C[C@H](CCCC[NH3+])[NH2+]CCc1cc(Cl)c2c(c1)OCCO2 ZINC000422930904 296356763 /nfs/dbraw/zinc/35/67/63/296356763.db2.gz WLSGMJVMMNWHOA-GFCCVEGCSA-N 2 0 312.841 2.761 20 0 DFADRP [NH3+]C[C@H]1CCCC[C@@H]1[NH2+]CCc1cc(Cl)c2c(c1)OCCO2 ZINC000422930128 296356793 /nfs/dbraw/zinc/35/67/93/296356793.db2.gz SGWVJIRYORXFPE-HIFRSBDPSA-N 2 0 324.852 2.761 20 0 DFADRP CC[C@@H]([NH2+]CCCc1ccc2c(c1)OCCO2)[C@@H]1CCCC[NH2+]1 ZINC000422929640 296356814 /nfs/dbraw/zinc/35/68/14/296356814.db2.gz QVQSGHSTBPSQBE-SJORKVTESA-N 2 0 318.461 2.901 20 0 DFADRP COc1ccc(C[NH2+][C@@H](C)c2ccc(C[NH3+])nc2C)cc1F ZINC000422933432 296357061 /nfs/dbraw/zinc/35/70/61/296357061.db2.gz DKQZJHXSGULVEH-NSHDSACASA-N 2 0 303.381 2.847 20 0 DFADRP O=C(c1ccc(C[NH2+][C@@H]2CCC[NH2+]CC2)cc1)N1CCCCC1 ZINC000422927903 296356350 /nfs/dbraw/zinc/35/63/50/296356350.db2.gz HSEMUFPVGQNFQR-GOSISDBHSA-N 2 0 315.461 2.544 20 0 DFADRP COC[C@H](CCC[NH3+])[NH2+][C@H](C)Cc1ccc(C(F)(F)F)cc1 ZINC000422943575 296358637 /nfs/dbraw/zinc/35/86/37/296358637.db2.gz YGGUPKZEEPSCQP-DOMZBBRYSA-N 2 0 318.383 2.980 20 0 DFADRP Fc1ccc(CC[NH2+][C@H]2CCC[NH2+]CC2)cc1Br ZINC000422943267 296358757 /nfs/dbraw/zinc/35/87/57/296358757.db2.gz XUJOYLJJQXTSDH-LBPRGKRZSA-N 2 0 315.230 2.862 20 0 DFADRP Clc1ccc(CC[NH2+][C@@H]2CCOC[C@H]2[C@@H]2CCC[NH2+]2)s1 ZINC000422946998 296359203 /nfs/dbraw/zinc/35/92/03/296359203.db2.gz XPFSDGNKQKDPNB-MELADBBJSA-N 2 0 314.882 2.691 20 0 DFADRP COc1ccc(OCCC[N@@H+]2CCC[C@@H]3C[NH2+]CC[C@H]32)cc1 ZINC000631887298 399519830 /nfs/dbraw/zinc/51/98/30/399519830.db2.gz QDYPAQLGTYDTNW-CRAIPNDOSA-N 2 0 304.434 2.538 20 0 DFADRP COc1ccc(OCCC[N@@H+]2CCC[C@@H]3C[NH2+]CC[C@@H]32)cc1 ZINC000631887303 399519966 /nfs/dbraw/zinc/51/99/66/399519966.db2.gz QDYPAQLGTYDTNW-QAPCUYQASA-N 2 0 304.434 2.538 20 0 DFADRP Cc1nc(-c2ccc(C[NH2+][C@@H]3CCOC[C@H]3[C@@H](C)[NH3+])o2)cs1 ZINC000422948673 296359562 /nfs/dbraw/zinc/35/95/62/296359562.db2.gz RWEMBPMGEGAKNW-DDTOSNHZSA-N 2 0 321.446 2.553 20 0 DFADRP Fc1ccc(OCC[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)cc1F ZINC000422951986 296359988 /nfs/dbraw/zinc/35/99/88/296359988.db2.gz BDZDBENILMQXAA-XKQJLSEDSA-N 2 0 310.388 2.854 20 0 DFADRP C[C@@H](Nc1cccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1)[C@H]1CC[NH2+]C1 ZINC000422956291 296360625 /nfs/dbraw/zinc/36/06/25/296360625.db2.gz PDAMFQHKXJSZNW-HPFXQQBRSA-N 2 0 317.477 2.706 20 0 DFADRP Cc1ccc([C@@H](CNC(=O)c2ccc3c(c2)C[NH2+]C3)[NH+](C)C)cc1 ZINC000347514074 285067943 /nfs/dbraw/zinc/06/79/43/285067943.db2.gz FFJSHHPSEXAVHM-LJQANCHMSA-N 2 0 323.440 2.631 20 0 DFADRP C[C@H](Nc1cccc(C[NH+]2CCSCC2)c1)[C@@H]1CCC[NH2+]1 ZINC000422958941 296361062 /nfs/dbraw/zinc/36/10/62/296361062.db2.gz ZPUSFXFEAQQBIB-YOEHRIQHSA-N 2 0 305.491 2.788 20 0 DFADRP COc1cccc(SCC[N@@H+]2CCC[C@H]3C[NH2+]CC[C@@H]32)c1 ZINC000631889828 399520877 /nfs/dbraw/zinc/52/08/77/399520877.db2.gz KAYAAKMYWWMUTR-YOEHRIQHSA-N 2 0 306.475 2.861 20 0 DFADRP COC[C@H](CCC[NH3+])[NH2+]Cc1ccc(Br)cc1C ZINC000422953740 296360507 /nfs/dbraw/zinc/36/05/07/296360507.db2.gz GMSRQLUWMDTUCZ-AWEZNQCLSA-N 2 0 315.255 2.601 20 0 DFADRP CCc1noc(-c2ccc(CC[NH2+][C@H](C)C[C@H](C)[NH3+])cc2)n1 ZINC000422960533 296361321 /nfs/dbraw/zinc/36/13/21/296361321.db2.gz WUNILGXVGJLMQR-QWHCGFSZSA-N 2 0 302.422 2.557 20 0 DFADRP CCOC(=O)C1([C@H](C)[NH2+][C@H](C)c2ccc(C)o2)CC[NH2+]CC1 ZINC000422961912 296361495 /nfs/dbraw/zinc/36/14/95/296361495.db2.gz DFWFRTXWTPHKMR-KGLIPLIRSA-N 2 0 308.422 2.560 20 0 DFADRP CC[C@H](CN[C@H]1CC[NH2+][C@H](c2ccccc2)C1)[NH+]1CCCC1 ZINC000422961370 296361506 /nfs/dbraw/zinc/36/15/06/296361506.db2.gz BLUNGACYFYDSOG-OTWHNJEPSA-N 2 0 301.478 2.944 20 0 DFADRP c1ccc(C2CC([NH2+][C@@H]3CCOC[C@H]3[C@H]3CCC[NH2+]3)C2)cc1 ZINC000422962996 296361604 /nfs/dbraw/zinc/36/16/04/296361604.db2.gz DYMZFOOMRASONM-ADXGEFSYSA-N 2 0 300.446 2.679 20 0 DFADRP CC[C@H](NC[C@@H](c1ccco1)[NH+]1CCCC1)[C@@H]1CCCC[NH2+]1 ZINC000422963599 296361807 /nfs/dbraw/zinc/36/18/07/296361807.db2.gz IZMWNRQTOJQGOM-ULQDDVLXSA-N 2 0 305.466 2.927 20 0 DFADRP c1cn2c(n1)[C@H](C[NH2+][C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1)CCC2 ZINC000422963686 296361812 /nfs/dbraw/zinc/36/18/12/296361812.db2.gz GKHZFKZWEXXBFZ-MWDXBVQZSA-N 2 0 302.466 2.661 20 0 DFADRP COc1ccc([C@@H](NCCC[N@H+](C)C(C)C)[C@@H]2CCC[NH2+]2)cc1 ZINC000422968546 296362650 /nfs/dbraw/zinc/36/26/50/296362650.db2.gz WXNYVVQBOSNZKW-RBUKOAKNSA-N 2 0 319.493 2.808 20 0 DFADRP Brc1cccc(NCC[NH2+][C@H]2CCC[NH2+]CC2)c1 ZINC000422967374 296362798 /nfs/dbraw/zinc/36/27/98/296362798.db2.gz SVPNNYSIZSINLK-ZDUSSCGKSA-N 2 0 312.255 2.593 20 0 DFADRP c1cc(COC2CCOCC2)ccc1C[NH2+][C@H]1CCC[NH2+]CC1 ZINC000422970384 296362912 /nfs/dbraw/zinc/36/29/12/296362912.db2.gz WHTJSJZNJSRVHB-SFHVURJKSA-N 2 0 318.461 2.614 20 0 DFADRP C[C@H](NC1CC[NH+]([C@@H](C)c2ccncc2)CC1)[C@@H]1CCCC[NH2+]1 ZINC000422970723 296363005 /nfs/dbraw/zinc/36/30/05/296363005.db2.gz WTTRWQPFFIZOHE-BXWFABGCSA-N 2 0 316.493 2.727 20 0 DFADRP C[C@@H](CCC[NH3+])[NH2+]CCNc1cccc(Br)c1 ZINC000422966329 296362253 /nfs/dbraw/zinc/36/22/53/296362253.db2.gz QZJMCNSWRDAXQJ-NSHDSACASA-N 2 0 300.244 2.578 20 0 DFADRP Oc1ccccc1CC[NH2+][C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422975734 296363369 /nfs/dbraw/zinc/36/33/69/296363369.db2.gz UAOMGIKCRWGBME-FXAWDEMLSA-N 2 0 324.424 2.780 20 0 DFADRP C[C@H](C[C@H](C)[NH3+])[NH2+]CCc1nc(-c2cccc(Cl)c2)no1 ZINC000422976445 296363500 /nfs/dbraw/zinc/36/35/00/296363500.db2.gz DEZFZBLVNUNEOB-WDEREUQCSA-N 2 0 308.813 2.648 20 0 DFADRP CCOC(=O)C1([C@H](C)[NH2+]C/C=C\c2ccccc2)CC[NH2+]CC1 ZINC000422979668 296363733 /nfs/dbraw/zinc/36/37/33/296363733.db2.gz NGXUYTSIVPDTNR-BJIFSAINSA-N 2 0 316.445 2.611 20 0 DFADRP OC[C@@H]([NH2+][C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)c1ccccc1 ZINC000422982898 296364037 /nfs/dbraw/zinc/36/40/37/296364037.db2.gz YATUESMTNUXLBW-NLWGTHIKSA-N 2 0 324.424 2.566 20 0 DFADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+][C@@H](CCO)C1CCCCC1 ZINC000422990089 296364562 /nfs/dbraw/zinc/36/45/62/296364562.db2.gz BMLKPEZSLQPZKW-KDOFPFPSSA-N 2 0 305.466 2.831 20 0 DFADRP CC(C)C[N@@H+]1CCC[C@H](C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)C1 ZINC000422992522 296364770 /nfs/dbraw/zinc/36/47/70/296364770.db2.gz CUZIDBYXTLVEEX-FCGDIQPGSA-N 2 0 307.526 2.865 20 0 DFADRP Cc1c(C[NH2+]Cc2cccc(C[N@@H+](C)C(C)C)c2)cnn1C ZINC000270168320 208233699 /nfs/dbraw/zinc/23/36/99/208233699.db2.gz CCISODMSXHTBRX-UHFFFAOYSA-N 2 0 300.450 2.859 20 0 DFADRP Cn1nnc2cc(C[NH+]3CCC(CCC[NH+](C)C)CC3)ccc21 ZINC000347572331 285084067 /nfs/dbraw/zinc/08/40/67/285084067.db2.gz SQPCCODPOMFJQK-UHFFFAOYSA-N 2 0 315.465 2.522 20 0 DFADRP C[C@H](C[C@H](C)[NH3+])[NH2+]C[C@@H](CO)Cc1ccccc1C(F)(F)F ZINC000422994773 296364940 /nfs/dbraw/zinc/36/49/40/296364940.db2.gz WDVPZWBODWCLCO-XQQFMLRXSA-N 2 0 318.383 2.572 20 0 DFADRP CC[C@H](C[C@H](C)CO)[NH2+][C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423002364 296366049 /nfs/dbraw/zinc/36/60/49/296366049.db2.gz FZFTUCDIMUTJTP-MGTHKWJCSA-N 2 0 318.461 2.629 20 0 DFADRP [NH3+]C[C@H]1CCC[C@H]1[NH2+]Cc1cccc(COCC(F)(F)F)c1 ZINC000423005343 296366233 /nfs/dbraw/zinc/36/62/33/296366233.db2.gz RNPPSIHZAQMVCH-HUUCEWRRSA-N 2 0 316.367 2.983 20 0 DFADRP CCC1(C[NH2+][C@H](C)C2C[NH2+]C2)CC[NH+](Cc2ccccc2)CC1 ZINC000423004199 296366389 /nfs/dbraw/zinc/36/63/89/296366389.db2.gz OMYFWONKCWAAFU-QGZVFWFLSA-N 3 0 315.505 2.876 20 0 DFADRP Cc1ccc([C@@H](Cn2ccnc2)[NH2+][C@H]2CCC[NH2+]CC2)c(C)c1 ZINC000423006533 296366654 /nfs/dbraw/zinc/36/66/54/296366654.db2.gz VRGJDMOKFASFBJ-PKOBYXMFSA-N 2 0 312.461 2.973 20 0 DFADRP CC1(C[NH2+][C@@H]2CCOC[C@H]2[C@@H]2CCC[NH2+]2)Cc2ccccc2C1 ZINC000423017869 296368043 /nfs/dbraw/zinc/36/80/43/296368043.db2.gz PRJMLAFKRYUCHX-GBESFXJTSA-N 2 0 314.473 2.538 20 0 DFADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+][C@H]1CCN(C)[C@H]1c1ccccc1 ZINC000423012821 296367340 /nfs/dbraw/zinc/36/73/40/296367340.db2.gz LNWHJWRAQAXNCZ-YSSFQJQWSA-N 2 0 324.472 2.945 20 0 DFADRP CC[C@H]([NH2+][C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)[C@H]1CCCO1 ZINC000423011237 296367403 /nfs/dbraw/zinc/36/74/03/296367403.db2.gz IIFWWSPWJAHWPZ-QFHJOOASSA-N 2 0 316.445 2.790 20 0 DFADRP Cc1cc(C[NH+](C)C)cc(N[C@@H]2CCC[C@@H]2[C@@H]2COCC[NH2+]2)c1 ZINC000423021999 296369001 /nfs/dbraw/zinc/36/90/01/296369001.db2.gz DINVRLWNXWIQIC-OTWHNJEPSA-N 2 0 317.477 2.626 20 0 DFADRP C[C@H](CCCC[NH3+])[NH2+][C@H]1CC(=O)N(C)[C@H]1c1ccc(Cl)cc1 ZINC000423026911 296369367 /nfs/dbraw/zinc/36/93/67/296369367.db2.gz QLISSKZRWNGUHY-PVUWLOKVSA-N 2 0 323.868 2.719 20 0 DFADRP CN1CC[C@H]([NH2+]C2CC[NH2+]CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000423018350 296368401 /nfs/dbraw/zinc/36/84/01/296368401.db2.gz YQLMLWBUWIMYGN-HOTGVXAUSA-N 2 0 311.832 2.566 20 0 DFADRP Fc1ccc2c(c1)CCC[C@@H]2[NH2+][C@@H]1CCOC[C@H]1[C@H]1CCC[NH2+]1 ZINC000423023888 296368756 /nfs/dbraw/zinc/36/87/56/296368756.db2.gz KRPAYGXGLIFYHM-ZSYWTGECSA-N 2 0 318.436 2.950 20 0 DFADRP [NH3+][C@@H]1CCC[C@H]1[NH2+]CCOCc1ccc(Cl)cc1Cl ZINC000423035841 296370302 /nfs/dbraw/zinc/37/03/02/296370302.db2.gz ZNHUGPOCBSZQTB-ZIAGYGMSSA-N 2 0 303.233 2.979 20 0 DFADRP COc1ccc(C[C@@H](C)C[NH2+][C@@H](C)[C@H]2CCC[NH2+]2)cc1OC ZINC000423033972 296370348 /nfs/dbraw/zinc/37/03/48/296370348.db2.gz ZZAJLVHHMQCWAU-IJEWVQPXSA-N 2 0 306.450 2.613 20 0 DFADRP [NH3+][C@H]1CCC[C@@H]1[NH2+]CCOCc1ccc(Cl)cc1Cl ZINC000423035838 296370381 /nfs/dbraw/zinc/37/03/81/296370381.db2.gz ZNHUGPOCBSZQTB-KBPBESRZSA-N 2 0 303.233 2.979 20 0 DFADRP CC[N@H+](Cc1ccc(C(=O)N2C[C@H](C[NH3+])C[C@@H]2C)cc1)C(C)C ZINC000261889907 285098127 /nfs/dbraw/zinc/09/81/27/285098127.db2.gz VGGJSYLFWUPEID-RDJZCZTQSA-N 2 0 317.477 2.726 20 0 DFADRP CCC(CC)(C[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1)C(=O)OC ZINC000423039323 296370580 /nfs/dbraw/zinc/37/05/80/296370580.db2.gz QIHZVGKHOUCPEY-BZUAXINKSA-N 2 0 310.482 2.866 20 0 DFADRP C[C@H]([NH2+][C@H]1CCN(c2ccc(F)c(Cl)c2)C1)[C@H]1CC[NH2+]C1 ZINC000423038626 296370610 /nfs/dbraw/zinc/37/06/10/296370610.db2.gz DDZPNOPBFVTUOJ-AVGNSLFASA-N 2 0 311.832 2.645 20 0 DFADRP C[C@@H]1CN(Cc2ccccc2)C[C@H]1[NH2+]C1CCC(C[NH3+])CC1 ZINC000423045401 296371228 /nfs/dbraw/zinc/37/12/28/296371228.db2.gz CWZRVORGTPQTSZ-JVGQSUMCSA-N 2 0 301.478 2.614 20 0 DFADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]CCc1cn(C)c2cc(F)ccc12 ZINC000423048171 296371509 /nfs/dbraw/zinc/37/15/09/296371509.db2.gz HSTAIUBEOFGQJE-CXAGYDPISA-N 2 0 303.425 2.838 20 0 DFADRP C[C@H](C[C@H](C)[NH3+])[NH2+]Cc1cc(Br)cc2c1OCC2 ZINC000423048057 296371584 /nfs/dbraw/zinc/37/15/84/296371584.db2.gz ICNJHKGTEYLENV-VHSXEESVSA-N 2 0 313.239 2.599 20 0 DFADRP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]C[C@@]1(C)CCO[C@H]1C1CC1 ZINC000423049294 296371872 /nfs/dbraw/zinc/37/18/72/296371872.db2.gz JVJBVCBHTRMANJ-UDTPNQRGSA-N 2 0 302.462 2.740 20 0 DFADRP C[NH+](C)[C@H](CN[C@@H]1CCC[C@H]1[NH3+])c1cccc(C(F)(F)F)c1 ZINC000423050023 296371876 /nfs/dbraw/zinc/37/18/76/296371876.db2.gz LBKYWULSYRZNOE-RBSFLKMASA-N 2 0 315.383 2.778 20 0 DFADRP C[N@H+](Cc1ccccc1)[C@H](CN[C@@H]1CCC[C@@H]1C[NH3+])C1CC1 ZINC000423048823 296371914 /nfs/dbraw/zinc/37/19/14/296371914.db2.gz AEWJQHNVHJTUHH-GUDVDZBRSA-N 2 0 301.478 2.614 20 0 DFADRP OC[C@H](N[C@H]1CC[NH2+][C@@H](c2ccccc2)C1)c1ccsc1 ZINC000423056087 296372700 /nfs/dbraw/zinc/37/27/00/296372700.db2.gz XARSMNYTPOWTDA-BBWFWOEESA-N 2 0 302.443 2.864 20 0 DFADRP Cn1c(C[NH2+][C@H]2CCCC[C@H]2C[NH3+])nc2cccc(Cl)c21 ZINC000423056410 296372907 /nfs/dbraw/zinc/37/29/07/296372907.db2.gz XMXZNZOFLJSPHN-AAEUAGOBSA-N 2 0 306.841 2.834 20 0 DFADRP Cc1ccccc1C[C@H](CO)[NH2+][C@@H](C)C[C@@H]1CCCCC[NH2+]1 ZINC000423056140 296372916 /nfs/dbraw/zinc/37/29/16/296372916.db2.gz FDMPPQSVWZWFBQ-YTQUADARSA-N 2 0 304.478 2.799 20 0 DFADRP C[C@H](NC[C@@H](C1CC1)[N@H+](C)Cc1ccccc1)[C@H]1CCC[NH2+]1 ZINC000423059357 296373260 /nfs/dbraw/zinc/37/32/60/296373260.db2.gz FKIDQLCDZVIJQG-IPELMVKDSA-N 2 0 301.478 2.627 20 0 DFADRP Cc1oc2ccccc2c1C[NH2+][C@@H]1CCOC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000423057138 296373272 /nfs/dbraw/zinc/37/32/72/296373272.db2.gz ZFYHXEHAVSYEEX-OKZBNKHCSA-N 2 0 314.429 2.988 20 0 DFADRP [NH3+]CC1CCC([NH2+]C[C@]2(O)CCC[C@@H](C(F)(F)F)C2)CC1 ZINC000423060226 296373563 /nfs/dbraw/zinc/37/35/63/296373563.db2.gz HSUXZBTZZQONHM-HHTDUIENSA-N 2 0 308.388 2.577 20 0 DFADRP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1[NH2+][C@@H]1CC[C@@H](Cc2ccccc2)C1 ZINC000423061129 296373632 /nfs/dbraw/zinc/37/36/32/296373632.db2.gz QFMXPGYROXZLHY-UJCHZGTJSA-N 2 0 302.462 2.740 20 0 DFADRP CCN1CCC([NH2+][C@H](C)c2cccc(OCC[NH+](C)C)c2)CC1 ZINC000159283429 197342124 /nfs/dbraw/zinc/34/21/24/197342124.db2.gz RZLDEUSBYQAFNN-MRXNPFEDSA-N 2 0 319.493 2.762 20 0 DFADRP COC[C@H](CCC[NH3+])[NH2+]Cc1cc(Br)ccc1C ZINC000423058514 296373175 /nfs/dbraw/zinc/37/31/75/296373175.db2.gz JTMPQPVMMTYFDS-AWEZNQCLSA-N 2 0 315.255 2.601 20 0 DFADRP COc1cc(Br)ccc1C[NH2+][C@@H](C)C[C@@H](C)[NH3+] ZINC000423065241 296374292 /nfs/dbraw/zinc/37/42/92/296374292.db2.gz SYIJLKCDNIYLMH-ZJUUUORDSA-N 2 0 301.228 2.673 20 0 DFADRP C[C@H]([NH2+]CCc1cn(C)c2cc(Cl)ccc12)[C@H]1CC[NH2+]C1 ZINC000423063262 296373956 /nfs/dbraw/zinc/37/39/56/296373956.db2.gz OKRMHNNIGIFCIS-STQMWFEESA-N 2 0 305.853 2.962 20 0 DFADRP COc1cc(Br)ccc1C[NH2+][C@H](C)C[C@@H](C)[NH3+] ZINC000423065237 296374053 /nfs/dbraw/zinc/37/40/53/296374053.db2.gz SYIJLKCDNIYLMH-NXEZZACHSA-N 2 0 301.228 2.673 20 0 DFADRP CN(CCC[N@H+](C)Cc1ccco1)Cc1cc(CO)ccc1F ZINC000625429247 399552179 /nfs/dbraw/zinc/55/21/79/399552179.db2.gz UNZRVWYALGDPKN-UHFFFAOYSA-N 2 0 320.408 2.865 20 0 DFADRP C[C@@H]([NH2+][C@@H]1CCN(c2ccc(Cl)cc2Cl)C1)C1C[NH2+]C1 ZINC000423075479 296375387 /nfs/dbraw/zinc/37/53/87/296375387.db2.gz WYOSFNXMMSFCOZ-ZWNOBZJWSA-N 2 0 314.260 2.770 20 0 DFADRP C[C@@H](CCCC[NH3+])[NH2+]C[C@@H]1CSCCN1Cc1ccccc1 ZINC000423070273 296374831 /nfs/dbraw/zinc/37/48/31/296374831.db2.gz CKYPQOKNCLRUDL-FUHWJXTLSA-N 2 0 321.534 2.711 20 0 DFADRP OC[C@H](Cc1ccc(F)cc1)[NH2+][C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1 ZINC000423071722 296374834 /nfs/dbraw/zinc/37/48/34/296374834.db2.gz IBZNYAUGQZAOOE-INDMIFKZSA-N 2 0 320.452 2.630 20 0 DFADRP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1[NH2+][C@H]1CC[C@H](c2ccc(F)cc2)C1 ZINC000423083338 296376275 /nfs/dbraw/zinc/37/62/75/296376275.db2.gz FVNHFBSIGPPRKL-PPIXQQLYSA-N 2 0 306.425 2.804 20 0 DFADRP Cc1cccc(CC[NH2+][C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)n1 ZINC000423087018 296376703 /nfs/dbraw/zinc/37/67/03/296376703.db2.gz OPJOTUMFVYVVPS-UYAOXDASSA-N 2 0 323.440 2.778 20 0 DFADRP Fc1ccc2c(c1)[C@@H]([NH2+][C@@H]1CCOC[C@H]1[C@H]1CCC[NH2+]1)CCC2 ZINC000423087130 296376721 /nfs/dbraw/zinc/37/67/21/296376721.db2.gz OQAWZIMFDGUDTF-ZSYWTGECSA-N 2 0 318.436 2.950 20 0 DFADRP C[C@H]([NH3+])[C@@H]1COCC[C@H]1[NH2+]Cc1ccc(-c2ccco2)cc1F ZINC000423084304 296376377 /nfs/dbraw/zinc/37/63/77/296376377.db2.gz HPUUTXXUKKJYLO-YLQAJVPDSA-N 2 0 318.392 2.928 20 0 DFADRP C[NH+](C)CCCOc1cnccc1C[NH2+]C[C@H]1CC=CCC1 ZINC000288654351 220326237 /nfs/dbraw/zinc/32/62/37/220326237.db2.gz VLEKVVMLTYBLTA-INIZCTEOSA-N 2 0 303.450 2.858 20 0 DFADRP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]CCc1cccc(OCC(F)(F)F)c1 ZINC000423102511 296378497 /nfs/dbraw/zinc/37/84/97/296378497.db2.gz WXWVIPGHGPZFCA-ZFWWWQNUSA-N 2 0 316.367 2.887 20 0 DFADRP [NH3+]C[C@@H]1CCC[C@H]1[NH2+]CCc1cccc(OCC(F)(F)F)c1 ZINC000423102508 296378538 /nfs/dbraw/zinc/37/85/38/296378538.db2.gz WXWVIPGHGPZFCA-DZGCQCFKSA-N 2 0 316.367 2.887 20 0 DFADRP CCCC[N@H+](C)CC1CC[NH+]([C@H](C)C(=O)NCC(C)C)CC1 ZINC000120241589 195125710 /nfs/dbraw/zinc/12/57/10/195125710.db2.gz DVYDNIHWZOHYAM-MRXNPFEDSA-N 2 0 311.514 2.591 20 0 DFADRP Cc1ccccc1[C@H]1C[C@H]([NH2+][C@@H]2CCOC[C@H]2[C@H]2CCC[NH2+]2)C1 ZINC000423106352 296379111 /nfs/dbraw/zinc/37/91/11/296379111.db2.gz RKCMMFDBWDNLKX-FLFBIERCSA-N 2 0 314.473 2.988 20 0 DFADRP C[C@H]([NH3+])[C@H]1COCC[C@H]1[NH2+]C1CC(c2cccc(Cl)c2)C1 ZINC000423113059 296380190 /nfs/dbraw/zinc/38/01/90/296380190.db2.gz YGHIFXGHUUQSSO-KDXVEUHBSA-N 2 0 308.853 2.928 20 0 DFADRP C[NH+](C)C1CCN(CC[NH2+]C/C=C/c2ccc(F)c(F)c2)CC1 ZINC000286486195 219015221 /nfs/dbraw/zinc/01/52/21/219015221.db2.gz LOMGSTBFLHXHAA-ONEGZZNKSA-N 2 0 323.431 2.594 20 0 DFADRP Cc1cc(CN[C@H]2CCCCC[C@@H]2[NH3+])cc(N2CCCC2)n1 ZINC000423120899 296380608 /nfs/dbraw/zinc/38/06/08/296380608.db2.gz HTRNIIUYUCFSQU-IRXDYDNUSA-N 2 0 302.466 2.740 20 0 DFADRP CC(=O)N1C[C@@H]2CCC[C@H]([NH2+][C@H](C)C[C@@H]3CCCCC[NH2+]3)[C@@H]2C1 ZINC000423120465 296380669 /nfs/dbraw/zinc/38/06/69/296380669.db2.gz GTVZJIGQQUTOBL-WRNCNIFXSA-N 2 0 321.509 2.534 20 0 DFADRP CC(C)[N@@H+](C)C[C@@H](C)N[C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423119139 296380686 /nfs/dbraw/zinc/38/06/86/296380686.db2.gz BGXKZJYVUUHIOS-SZVBFZGTSA-N 2 0 317.477 2.561 20 0 DFADRP COC[C@H](CCC[NH3+])[NH2+][C@H]1C[C@@H](Oc2ccccc2)C1(C)C ZINC000423126197 296381468 /nfs/dbraw/zinc/38/14/68/296381468.db2.gz OJEBCXZWHVPGFV-BHYGNILZSA-N 2 0 306.450 2.576 20 0 DFADRP FC1(F)CCCC[C@H](C[NH2+][C@@H]2CCOC[C@@H]2[C@@H]2CCC[NH2+]2)C1 ZINC000423121942 296381246 /nfs/dbraw/zinc/38/12/46/296381246.db2.gz BIJJEYLZWVXYFJ-XUWVNRHRSA-N 2 0 316.436 2.949 20 0 DFADRP CC(C)Oc1ccc([C@@H](CN[C@@H](C)[C@@H]2CCC[NH2+]2)[NH+](C)C)cc1 ZINC000423124919 296381657 /nfs/dbraw/zinc/38/16/57/296381657.db2.gz MYWDVLKQUQLJKJ-ZYSHUDEJSA-N 2 0 319.493 2.807 20 0 DFADRP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccc(-n2cccn2)c(F)c1 ZINC000423132284 296382615 /nfs/dbraw/zinc/38/26/15/296382615.db2.gz IXJUWHIACGZPSF-SLHHOWHOSA-N 2 0 314.408 2.945 20 0 DFADRP c1ccc2c(c1)O[C@]1(CC[NH2+]C1)C[C@@H]2[NH2+]C[C@H]1CCCSC1 ZINC000423135968 296382954 /nfs/dbraw/zinc/38/29/54/296382954.db2.gz YLSIHAJRXBVCQN-UWWQBHOKSA-N 2 0 318.486 2.975 20 0 DFADRP C[C@H](CCC[NH3+])[NH2+][C@H]1CCCN([C@@H](C)c2ccc(F)cc2)C1=O ZINC000423135577 296383067 /nfs/dbraw/zinc/38/30/67/296383067.db2.gz NYFVGXXLSRVCSP-KEYYUXOJSA-N 2 0 321.440 2.595 20 0 DFADRP CC(C)Cc1ccc([C@H](CNC2CC[NH2+]CC2)[NH+](C)C)cc1 ZINC000423135939 296383087 /nfs/dbraw/zinc/38/30/87/296383087.db2.gz YKRJQJIOTUHBNO-IBGZPJMESA-N 2 0 303.494 2.829 20 0 DFADRP CC(C)Oc1ccc([C@H](C[NH2+][C@@H]2CCC[C@H]2C[NH3+])N(C)C)cc1 ZINC000423130832 296382388 /nfs/dbraw/zinc/38/23/88/296382388.db2.gz SFNIUBSAVPSKKH-UHOSZYNNSA-N 2 0 319.493 2.794 20 0 DFADRP [NH3+]C[C@H]1CCCC[C@@H]1[NH2+]CCc1cc(C(F)(F)F)ccn1 ZINC000423140694 296383766 /nfs/dbraw/zinc/38/37/66/296383766.db2.gz ZEIDKPJUFABWMX-RISCZKNCSA-N 2 0 301.356 2.750 20 0 DFADRP COCCOCc1ccc(C[NH2+][C@@H]2CCCCC[C@@H]2[NH3+])cc1 ZINC000423142022 296383963 /nfs/dbraw/zinc/38/39/63/296383963.db2.gz SYWUUGQNIITMIQ-ZWKOTPCHSA-N 2 0 306.450 2.599 20 0 DFADRP Cc1cccc2c1OC[C@H]([NH2+][C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1)C2 ZINC000423141392 296383735 /nfs/dbraw/zinc/38/37/35/296383735.db2.gz PQPZPZFLKUVYCQ-VSZNYVQBSA-N 2 0 300.446 2.809 20 0 DFADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]C[C@@H]1CCN(c2ccccc2F)C1 ZINC000423140999 296383738 /nfs/dbraw/zinc/38/37/38/296383738.db2.gz NLBSPXATIPQEDZ-ZOBUZTSGSA-N 2 0 305.441 2.759 20 0 DFADRP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]CCOc1ccc(Cl)c(F)c1 ZINC000423147203 296384958 /nfs/dbraw/zinc/38/49/58/296384958.db2.gz CCYIRLFQYYWBEP-XHDPSFHLSA-N 2 0 300.805 2.965 20 0 DFADRP C[C@H]([NH3+])[C@H]1COCC[C@@H]1[NH2+][C@H]1CCCc2c(F)cc(F)cc21 ZINC000423146678 296384622 /nfs/dbraw/zinc/38/46/22/296384622.db2.gz PYBPKVBHTHJHRV-NVULLMEXSA-N 2 0 310.388 2.684 20 0 DFADRP C[C@H]([NH3+])[C@@H]1COCC[C@H]1[NH2+][C@H]1CCCc2c(F)cc(F)cc21 ZINC000423146679 296384693 /nfs/dbraw/zinc/38/46/93/296384693.db2.gz PYBPKVBHTHJHRV-NZTWZVSQSA-N 2 0 310.388 2.684 20 0 DFADRP C[C@H]([NH3+])[C@H]1COCC[C@H]1[NH2+][C@@H]1CCCc2c(F)cc(F)cc21 ZINC000423146677 296384832 /nfs/dbraw/zinc/38/48/32/296384832.db2.gz PYBPKVBHTHJHRV-LIQONPQNSA-N 2 0 310.388 2.684 20 0 DFADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]CCOc1ccc(F)c(Cl)c1 ZINC000423152475 296385567 /nfs/dbraw/zinc/38/55/67/296385567.db2.gz FGFPGYCVHUYJFX-ABAIWWIYSA-N 2 0 300.805 2.836 20 0 DFADRP CSc1ccc([C@H](C[NH2+][C@@H](C)[C@@H]2CC[NH2+]C2)N(C)C)cc1 ZINC000423147637 296385154 /nfs/dbraw/zinc/38/51/54/296385154.db2.gz SLWGFOFHFIALKI-LXZKKBNFSA-N 2 0 307.507 2.599 20 0 DFADRP Fc1ccc(C2CC2)cc1C[NH2+][C@@H]1CCC[C@H]1[C@H]1COCCN1 ZINC000423149844 296385326 /nfs/dbraw/zinc/38/53/26/296385326.db2.gz XZHVEQXEZLQAKT-BHIYHBOVSA-N 2 0 318.436 2.950 20 0 DFADRP CO[C@H](C[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1)Cc1ccccc1 ZINC000423156642 296386233 /nfs/dbraw/zinc/38/62/33/296386233.db2.gz LJAWIBFZCAEFKF-CADBVGFASA-N 2 0 302.462 2.754 20 0 DFADRP CC[C@H](C)[C@H](C[NH2+][C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)OC ZINC000423154782 296385748 /nfs/dbraw/zinc/38/57/48/296385748.db2.gz IJQHOZPMYOLMEO-QNDJGXFYSA-N 2 0 318.461 2.893 20 0 DFADRP c1ccc2c(c1)O[C@]1(CC[NH2+]C1)C[C@H]2[NH2+]CCC[C@H]1CCOC1 ZINC000423161373 296386940 /nfs/dbraw/zinc/38/69/40/296386940.db2.gz NPUYDCRNJKRLJO-KVSKMBFKSA-N 2 0 316.445 2.649 20 0 DFADRP Cc1ccc(CC[NH2+][C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)nc1 ZINC000423160983 296386418 /nfs/dbraw/zinc/38/64/18/296386418.db2.gz IGBWUOKJOUIKDR-UYAOXDASSA-N 2 0 323.440 2.778 20 0 DFADRP C[C@@H]([NH2+][C@H]1CCc2c1ccc(F)c2Br)C1C[NH2+]C1 ZINC000423159869 296386468 /nfs/dbraw/zinc/38/64/68/296386468.db2.gz YOZGOHQLNNZPEN-OQPBUACISA-N 2 0 313.214 2.773 20 0 DFADRP C[C@H]([NH2+][C@H](CCO)c1cccc(C(F)(F)F)c1)[C@@H]1CC[NH2+]C1 ZINC000423159382 296386489 /nfs/dbraw/zinc/38/64/89/296386489.db2.gz OYTCRNMITJGNHE-NJZAAPMLSA-N 2 0 316.367 2.717 20 0 DFADRP C[C@H]([NH2+][C@@H]1CCc2c1ccc(F)c2Br)C1C[NH2+]C1 ZINC000423159868 296386515 /nfs/dbraw/zinc/38/65/15/296386515.db2.gz YOZGOHQLNNZPEN-ISVAXAHUSA-N 2 0 313.214 2.773 20 0 DFADRP C[C@H]([NH3+])[C@H]1COCC[C@@H]1[NH2+][C@@H]1C[C@H]1c1c(F)cccc1Cl ZINC000423172196 296387717 /nfs/dbraw/zinc/38/77/17/296387717.db2.gz RTBQNWNDIRUAED-MTLGCJRHSA-N 2 0 312.816 2.677 20 0 DFADRP CC(C)(C)c1ccncc1C[NH2+][C@@H]1CCOC[C@H]1[C@H]1CCC[NH2+]1 ZINC000423173073 296388153 /nfs/dbraw/zinc/38/81/53/296388153.db2.gz WURCEBHZQZJBJC-CGTJXYLNSA-N 2 0 317.477 2.626 20 0 DFADRP CCOC(=O)C1([C@H](C)[NH2+]C[C@H]2CCC[C@@H]2C2CC2)CC[NH2+]CC1 ZINC000423173323 296388172 /nfs/dbraw/zinc/38/81/72/296388172.db2.gz XXWUPUBJWCOFHF-USXIJHARSA-N 2 0 322.493 2.724 20 0 DFADRP c1coc([C@@H]2C[C@H]2[NH2+][C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)c1 ZINC000423173834 296388175 /nfs/dbraw/zinc/38/81/75/296388175.db2.gz AGCYKOWODWLACA-OAFZBRQQSA-N 2 0 310.397 2.981 20 0 DFADRP C[C@@H]([NH2+]CCCN1CC[NH2+]CC1)c1cc(Cl)cc(Cl)c1 ZINC000423177800 296388594 /nfs/dbraw/zinc/38/85/94/296388594.db2.gz JNOUVDXXCUBGSP-GFCCVEGCSA-N 2 0 316.276 2.939 20 0 DFADRP C[C@H]([NH2+]CCCN1CC[NH2+]CC1)c1ccc(Cl)cc1Cl ZINC000423181287 296388826 /nfs/dbraw/zinc/38/88/26/296388826.db2.gz OQFXVSGZOOLQCT-LBPRGKRZSA-N 2 0 316.276 2.939 20 0 DFADRP CC(C)[C@H]1C[C@H]([NH2+]CCCN2CC[NH2+]CC2)c2ccccc21 ZINC000423186438 296389662 /nfs/dbraw/zinc/38/96/62/296389662.db2.gz ODWJIHSLSLLQNE-MOPGFXCFSA-N 2 0 301.478 2.756 20 0 DFADRP c1ccc([C@@H](CC2CCC2)[NH2+]CCCN2CC[NH2+]CC2)cc1 ZINC000423192571 296390316 /nfs/dbraw/zinc/39/03/16/296390316.db2.gz WACSJWJABVUOGS-LJQANCHMSA-N 2 0 301.478 2.803 20 0 DFADRP CC[C@H]([NH2+][C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)[C@@H](O)C(C)C ZINC000423191948 296390491 /nfs/dbraw/zinc/39/04/91/296390491.db2.gz UFXSPQGGGSSSBT-NBMJBFSESA-N 2 0 318.461 2.627 20 0 DFADRP COC[C@H](CCC[NH3+])[NH2+]CC1(c2c(F)cccc2F)CCC1 ZINC000423192790 296390813 /nfs/dbraw/zinc/39/08/13/296390813.db2.gz UTEHFOABPXHAFO-ZDUSSCGKSA-N 2 0 312.404 2.730 20 0 DFADRP C[C@H](Cc1ccc(F)cc1Br)N[C@@H]1CCC[NH2+]C1 ZINC000423193890 296390895 /nfs/dbraw/zinc/39/08/95/296390895.db2.gz QYXUNKSSNGJUBV-ZWNOBZJWSA-N 2 0 315.230 2.861 20 0 DFADRP c1ccc(C[N@@H+]2C[C@@H]3CCC[C@H](N[C@H]4CCC[NH2+]C4)[C@H]3C2)cc1 ZINC000423195145 296390949 /nfs/dbraw/zinc/39/09/49/296390949.db2.gz SHPWNHIPHGWURQ-MUGJNUQGSA-N 3 0 313.489 2.629 20 0 DFADRP C[C@H](Cc1cn(C)c2ccc(F)cc12)[NH2+][C@@H](C)[C@H]1CCC[NH2+]1 ZINC000423195924 296391145 /nfs/dbraw/zinc/39/11/45/296391145.db2.gz YMIYUCRRGVFUMC-IIYDPXPESA-N 2 0 303.425 2.979 20 0 DFADRP C[C@@H](Cc1cn(C)c2ccc(F)cc12)[NH2+][C@@H](C)[C@H]1CCC[NH2+]1 ZINC000423195922 296391262 /nfs/dbraw/zinc/39/12/62/296391262.db2.gz YMIYUCRRGVFUMC-GDZNZVCISA-N 2 0 303.425 2.979 20 0 DFADRP CCc1c2cc(C)ccc2oc1[C@H](C)[NH2+]CCN1CC[NH2+]CC1 ZINC000423201723 296391858 /nfs/dbraw/zinc/39/18/58/296391858.db2.gz JESCQXJZLYLHQF-HNNXBMFYSA-N 2 0 315.461 2.859 20 0 DFADRP CC(C)[C@@H](CCc1ccc(Cl)cc1)[NH2+]CCN1CC[NH2+]CC1 ZINC000423203796 296392168 /nfs/dbraw/zinc/39/21/68/296392168.db2.gz NNNDTXXYHOGATC-GOSISDBHSA-N 2 0 323.912 2.792 20 0 DFADRP COc1cc([C@@H](C)[NH2+]C[C@H]2CCC[NH2+]C2)ccc1OC(F)F ZINC000423203399 296392254 /nfs/dbraw/zinc/39/22/54/296392254.db2.gz CKNGGUXLAAQGDM-NEPJUHHUSA-N 2 0 314.376 2.947 20 0 DFADRP C[C@@H]([NH2+]CCN1CC[NH2+]CC1)c1ccc(F)c2ccccc21 ZINC000423206683 296392444 /nfs/dbraw/zinc/39/24/44/296392444.db2.gz QXCNUZWUTJTJQC-CQSZACIVSA-N 2 0 301.409 2.535 20 0 DFADRP Fc1ccc([C@H](C[C@@H]2CCOC2)[NH2+]C[C@@H]2CCC[NH2+]C2)cc1 ZINC000423210596 296392730 /nfs/dbraw/zinc/39/27/30/296392730.db2.gz KBRJHDWLDGAJRB-DAYGRLMNSA-N 2 0 306.425 2.883 20 0 DFADRP Fc1ccc([C@H](C[C@H]2CCOC2)[NH2+]C[C@H]2CCC[NH2+]C2)cc1 ZINC000423210599 296392860 /nfs/dbraw/zinc/39/28/60/296392860.db2.gz KBRJHDWLDGAJRB-VKJFTORMSA-N 2 0 306.425 2.883 20 0 DFADRP Cc1nn(C)c2sc([C@H](C)[NH2+][C@H](C)[C@H]3CCC[NH2+]C3)cc12 ZINC000423211837 296392954 /nfs/dbraw/zinc/39/29/54/296392954.db2.gz HJUFGJJMVFORAP-WXHSDQCUSA-N 2 0 306.479 2.982 20 0 DFADRP C[C@@H]1[C@H]([NH2+]C[C@H]2CCC[NH2+]C2)CCCN1Cc1ccccc1 ZINC000423214299 296392960 /nfs/dbraw/zinc/39/29/60/296392960.db2.gz OPFHOPKDHKHLON-NZSAHSFTSA-N 2 0 301.478 2.629 20 0 DFADRP C[NH2+]CCCN[C@@H]1CCCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000423201600 296391928 /nfs/dbraw/zinc/39/19/28/296391928.db2.gz PBCNMJVCAPDWQT-XUVXKRRUSA-N 2 0 315.505 2.876 20 0 DFADRP C[C@@H]1[C@@H]([NH2+]C[C@H]2CCC[NH2+]C2)CCCN1Cc1ccccc1 ZINC000423214297 296393036 /nfs/dbraw/zinc/39/30/36/296393036.db2.gz OPFHOPKDHKHLON-NEWSRXKRSA-N 2 0 301.478 2.629 20 0 DFADRP CC[C@H]([NH2+][C@H](C)[C@@H]1CCC[NH2+]C1)c1ccc(C(=O)OC)cc1 ZINC000423211920 296393147 /nfs/dbraw/zinc/39/31/47/296393147.db2.gz HVGPRTYSGVMCIB-XYPHTWIQSA-N 2 0 304.434 2.902 20 0 DFADRP CCO[C@@H]1C[C@H]([NH2+][C@H](C)[C@H]2CCC[NH2+]C2)[C@H]1Oc1ccccc1 ZINC000423218933 296393758 /nfs/dbraw/zinc/39/37/58/296393758.db2.gz SNENLOJIWGYHFZ-UWAKZDDMSA-N 2 0 318.461 2.589 20 0 DFADRP C[C@@H]([NH2+]C1CCN(c2ccc(F)cc2F)CC1)[C@H]1CCC[NH2+]C1 ZINC000423222038 296393972 /nfs/dbraw/zinc/39/39/72/296393972.db2.gz ZHSVJOHPUHYIRR-KGLIPLIRSA-N 2 0 323.431 2.911 20 0 DFADRP C[C@H]([NH3+])CCN[C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000423228360 296394634 /nfs/dbraw/zinc/39/46/34/296394634.db2.gz ZGPODXPLBZQUMT-JCHJZTRSSA-N 2 0 301.478 2.614 20 0 DFADRP Fc1ccc([C@H](C[C@H]2CCOC2)[NH2+]CC[C@H]2CC[NH2+]C2)cc1 ZINC000423241101 296395897 /nfs/dbraw/zinc/39/58/97/296395897.db2.gz CZOUJTAKVZVOOR-RKVPGOIHSA-N 2 0 306.425 2.883 20 0 DFADRP CC[NH+]1CCC(N(C(=O)[C@@H](C)[NH+]2CCCCCC2)C2CC2)CC1 ZINC000369317509 285185627 /nfs/dbraw/zinc/18/56/27/285185627.db2.gz MYZMXYQLEGUWQC-MRXNPFEDSA-N 2 0 321.509 2.726 20 0 DFADRP C[C@@H]1C[C@H](NC[C@H]([NH3+])c2ccccc2)C[N@@H+]1Cc1ccccc1 ZINC000423235125 296395311 /nfs/dbraw/zinc/39/53/11/296395311.db2.gz GJLJCEYOUOJUAQ-UXPWSPDFSA-N 2 0 309.457 2.939 20 0 DFADRP c1c2c(nn1-c1ccccc1)CCC[C@@H]2[NH2+]CC[C@H]1CC[NH2+]C1 ZINC000423247264 296396494 /nfs/dbraw/zinc/39/64/94/296396494.db2.gz KXXIDAHHHABTJW-QAPCUYQASA-N 2 0 310.445 2.839 20 0 DFADRP c1c2c(nn1-c1ccccc1)CCC[C@@H]2[NH2+]CC[C@@H]1CC[NH2+]C1 ZINC000423247265 296396620 /nfs/dbraw/zinc/39/66/20/296396620.db2.gz KXXIDAHHHABTJW-YJBOKZPZSA-N 2 0 310.445 2.839 20 0 DFADRP C[C@@H](Cc1ccc(C(F)(F)F)cc1)[NH2+]CC1([NH3+])CCOCC1 ZINC000629387996 399591002 /nfs/dbraw/zinc/59/10/02/399591002.db2.gz LTKPDTFBLGTNKO-LBPRGKRZSA-N 2 0 316.367 2.734 20 0 DFADRP COc1cc([C@H](C)[NH2+]CC[C@@H]2CC[NH2+]C2)ccc1OC(F)F ZINC000423252815 296397054 /nfs/dbraw/zinc/39/70/54/296397054.db2.gz UUUPXCXYYHKJOQ-RYUDHWBXSA-N 2 0 314.376 2.947 20 0 DFADRP CC(C)NC(=O)Nc1ccc([C@@H](C)[NH2+]CC[C@H]2CC[NH2+]C2)cc1 ZINC000423252377 296397171 /nfs/dbraw/zinc/39/71/71/296397171.db2.gz UCLLOJKJXMQRAO-HUUCEWRRSA-N 2 0 318.465 2.867 20 0 DFADRP CC(C)C[C@@H](C[NH3+])N[C@@H](C)c1ccc(OCC[NH+](C)C)cc1 ZINC000423263467 296398161 /nfs/dbraw/zinc/39/81/61/296398161.db2.gz OKSFIMDZFIVOLT-RDJZCZTQSA-N 3 0 307.482 2.651 20 0 DFADRP CCO[C@@H]1C[C@H]([NH2+]CC[C@@H]2CCC[NH2+]C2)[C@H]1Oc1ccccc1 ZINC000423264379 296398267 /nfs/dbraw/zinc/39/82/67/296398267.db2.gz YLCKBKMDWLCRSG-GDAAHCPNSA-N 2 0 318.461 2.591 20 0 DFADRP CC[N@@H+]1CCCC[C@@H]1C(=O)NCCCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000245886376 285194808 /nfs/dbraw/zinc/19/48/08/285194808.db2.gz CXUBIUBGQFROIJ-KZNAEPCWSA-N 2 0 323.525 2.735 20 0 DFADRP COCCc1nc(C)c([C@@H](C)[NH2+]CC[C@H]2CCC[NH2+]C2)s1 ZINC000423259597 296397607 /nfs/dbraw/zinc/39/76/07/296397607.db2.gz OLOUGLDOMMVDOA-TZMCWYRMSA-N 2 0 311.495 2.681 20 0 DFADRP C[C@H]1CC[C@@H](NC2CC[NH+](CCc3ccc(F)cc3)CC2)C[NH2+]1 ZINC000629395732 399593045 /nfs/dbraw/zinc/59/30/45/399593045.db2.gz QLPXMIJYFHFRSH-HNAYVOBHSA-N 2 0 319.468 2.563 20 0 DFADRP C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1[NH2+]CC[C@H]1CCC[NH2+]C1 ZINC000423261365 296397875 /nfs/dbraw/zinc/39/78/75/296397875.db2.gz RZBPXHOWXHEVAQ-GGPKGHCWSA-N 3 0 315.505 2.876 20 0 DFADRP COc1cc([C@H](C)[NH2+]CC[C@@H]2CCC[NH2+]C2)cc(OC)c1OC ZINC000423261361 296398020 /nfs/dbraw/zinc/39/80/20/296398020.db2.gz RYZDBUHUFKWWGP-KBPBESRZSA-N 2 0 322.449 2.753 20 0 DFADRP C[NH2+]C[C@@H](C)C[NH2+][C@H]1CCc2cc(Br)ccc2C1 ZINC000423270705 296399318 /nfs/dbraw/zinc/39/93/18/296399318.db2.gz IDHYYVFDQPDMEE-ABAIWWIYSA-N 2 0 311.267 2.752 20 0 DFADRP [NH3+]CCCOCC[NH2+]Cc1c(OC(F)F)ccc2ccccc21 ZINC000629398008 399594161 /nfs/dbraw/zinc/59/41/61/399594161.db2.gz JINYWMDBQZNZBD-UHFFFAOYSA-N 2 0 324.371 2.896 20 0 DFADRP C[NH2+]C[C@@H](C)C[NH2+][C@@H](C)c1ccc(NC(=O)NC(C)C)cc1 ZINC000423282669 296400767 /nfs/dbraw/zinc/40/07/67/296400767.db2.gz WQQHRVDTTOSUAP-KGLIPLIRSA-N 2 0 306.454 2.723 20 0 DFADRP C[NH2+]C[C@H](C)C[NH2+][C@H]1CCCc2ncc(C(F)(F)F)cc21 ZINC000423282440 296400436 /nfs/dbraw/zinc/40/04/36/296400436.db2.gz WORNZTBZWIQEIM-GWCFXTLKSA-N 2 0 301.356 2.923 20 0 DFADRP C[C@@H](C[NH3+])C[NH2+][C@H](Cc1ccccc1Br)C1CC1 ZINC000423299309 296402007 /nfs/dbraw/zinc/40/20/07/296402007.db2.gz BRNKLDYFDQJSPM-XHDPSFHLSA-N 2 0 311.267 2.955 20 0 DFADRP C[C@H](C[NH3+])C[NH2+][C@H]1CCCOc2c(Br)cccc21 ZINC000423299136 296402052 /nfs/dbraw/zinc/40/20/52/296402052.db2.gz PJGVABICHUQMER-MFKMUULPSA-N 2 0 313.239 2.847 20 0 DFADRP CC(C)C[NH+]1CCC(NC(=O)[C@@H]([NH3+])CC2CCCCC2)CC1 ZINC000423299484 296401895 /nfs/dbraw/zinc/40/18/95/296401895.db2.gz BVMPALPTVWYNHI-KRWDZBQOSA-N 2 0 309.498 2.521 20 0 DFADRP CC(C)[NH+]1CCC(N(C)C(=O)c2ccc([C@@H](C)[NH3+])cc2)CC1 ZINC000423312247 296402867 /nfs/dbraw/zinc/40/28/67/296402867.db2.gz CZCSQSKUKKPWDB-CQSZACIVSA-N 2 0 303.450 2.651 20 0 DFADRP COc1cccc(C[C@@H]([NH2+]CC2(C)CC[NH2+]CC2)C2CC2)c1 ZINC000423319183 296403563 /nfs/dbraw/zinc/40/35/63/296403563.db2.gz DBCKPNFFALFMHS-GOSISDBHSA-N 2 0 302.462 2.996 20 0 DFADRP O[C@H]1C[C@@H](C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]3CCC[C@@H]32)C1 ZINC000624216896 399599972 /nfs/dbraw/zinc/59/99/72/399599972.db2.gz UPBGDUFBYCPOKQ-USYVTKNRSA-N 2 0 314.473 2.790 20 0 DFADRP C[C@H](C[NH+]1CCCCC1)NC(=O)C(C)(C)[C@H]([NH3+])c1ccccc1 ZINC000423319243 296403804 /nfs/dbraw/zinc/40/38/04/296403804.db2.gz DJIUVUGEXCJOSJ-NVXWUHKLSA-N 2 0 317.477 2.703 20 0 DFADRP CC(C)C[C@H](C[NH+](C)C)NC(=O)C(C)(C)[C@@H]([NH3+])c1ccccc1 ZINC000423318151 296403813 /nfs/dbraw/zinc/40/38/13/296403813.db2.gz CQPIZCOYSWNCLT-SJORKVTESA-N 2 0 319.493 2.805 20 0 DFADRP COCCOc1ccc([C@@H](C)[NH2+]C[C@]2(C)CCC[NH2+]C2)cc1 ZINC000423322367 296404131 /nfs/dbraw/zinc/40/41/31/296404131.db2.gz GZNWYNQSDBLSGF-CRAIPNDOSA-N 2 0 306.450 2.752 20 0 DFADRP C[NH+](C)Cc1cccc(CNC(=O)[C@H]([NH3+])CC2CCCCC2)c1 ZINC000423336736 296406113 /nfs/dbraw/zinc/40/61/13/296406113.db2.gz YCALJYPNNUBSKD-GOSISDBHSA-N 2 0 317.477 2.662 20 0 DFADRP CC(C)[C@@H]([NH2+]CC1=CC[NH2+]CC1)c1ccc2[nH]c(=O)oc2c1 ZINC000423343875 296406800 /nfs/dbraw/zinc/40/68/00/296406800.db2.gz MFPRFOPKIXMKHN-MRXNPFEDSA-N 2 0 301.390 2.740 20 0 DFADRP CC(C)[C@@H](C(=O)N1CCC[C@@H](C[NH+]2CCC(C)CC2)C1)[C@@H](C)[NH3+] ZINC000423363756 296408470 /nfs/dbraw/zinc/40/84/70/296408470.db2.gz VEVUGOIMCZRMJU-FGTMMUONSA-N 2 0 323.525 2.576 20 0 DFADRP [NH3+][C@H]1CCC[C@H]([NH2+]C2CCN(c3ccc(F)cc3F)CC2)C1 ZINC000423365997 296408834 /nfs/dbraw/zinc/40/88/34/296408834.db2.gz BIXWRAJJDZPFHQ-ZFWWWQNUSA-N 2 0 309.404 2.793 20 0 DFADRP COCC1(C[NH2+][C@@H]2CCCc3cc(OC)ccc32)CC[NH2+]CC1 ZINC000423384873 296411055 /nfs/dbraw/zinc/41/10/55/296411055.db2.gz IFIRYGKZVOTSPY-GOSISDBHSA-N 2 0 318.461 2.678 20 0 DFADRP Cc1ccc([C@H](CCn2cncn2)[NH2+][C@H]2CCC[C@H]([NH3+])C2)cc1 ZINC000423382962 296411089 /nfs/dbraw/zinc/41/10/89/296411089.db2.gz KCPWNTDBYWJFFE-BZSNNMDCSA-N 2 0 313.449 2.577 20 0 DFADRP FC(F)(F)[C@H](C[NH2+][C@@H]1CCCC12CCCC2)N1CC[NH2+]CC1 ZINC000423387897 296411246 /nfs/dbraw/zinc/41/12/46/296411246.db2.gz KIEJNCKZHOUNBY-KGLIPLIRSA-N 2 0 319.415 2.525 20 0 DFADRP CC(C)C[C@H](C)C[NH2+]CCCN1CCN(c2cc[nH+]cc2)CC1 ZINC000347905932 285235573 /nfs/dbraw/zinc/23/55/73/285235573.db2.gz IPZLHNWGQIISOZ-SFHVURJKSA-N 2 0 318.509 2.866 20 0 DFADRP CCN1CC[NH+](CCCC[NH2+][C@H](C)c2ccc(OC)cc2)CC1 ZINC000154528964 196971888 /nfs/dbraw/zinc/97/18/88/196971888.db2.gz FXMPKJGDFKWODW-QGZVFWFLSA-N 2 0 319.493 2.764 20 0 DFADRP CC(C)[C@H]([NH2+]C[C@H]1C[NH2+]C[C@@H]1O)c1ccc(Cl)c(Cl)c1 ZINC000423398580 296412524 /nfs/dbraw/zinc/41/25/24/296412524.db2.gz DBWLTFCKDRHLDI-UGFHNGPFSA-N 2 0 317.260 2.860 20 0 DFADRP C[C@@H]1C[NH2+]CC[C@@H]1[NH2+][C@H]1CCc2cc(Br)ccc2C1 ZINC000423407639 296413553 /nfs/dbraw/zinc/41/35/53/296413553.db2.gz WEDSDTQKGXMZCV-RLCCDNCMSA-N 2 0 323.278 2.894 20 0 DFADRP CC(C)[C@@H]1CCCC[C@H]1[NH2+]C[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000423398431 296412585 /nfs/dbraw/zinc/41/25/85/296412585.db2.gz VJSBLCCCBIORCZ-ZNMIVQPWSA-N 2 0 321.431 2.627 20 0 DFADRP O[C@@H]1CCN(CC[NH2+][C@@H]2CC[C@@H](c3cccc(Cl)c3)C2)C1 ZINC000624231086 399607408 /nfs/dbraw/zinc/60/74/08/399607408.db2.gz PERHMYAJPCIWKL-DJIMGWMZSA-N 2 0 308.853 2.632 20 0 DFADRP O[C@@H]1C[NH2+]C[C@@H]1C[NH2+][C@H](CCCc1ccccc1)c1ccccc1 ZINC000423399692 296412776 /nfs/dbraw/zinc/41/27/76/296412776.db2.gz FEMAPXAZQHUBMT-NJDAHSKKSA-N 2 0 324.468 2.921 20 0 DFADRP COCC1(C[NH2+][C@@H](Cc2ccccc2)C(C)C)CC[NH2+]CC1 ZINC000423402318 296412872 /nfs/dbraw/zinc/41/28/72/296412872.db2.gz HBJMKZGKIPXDQC-SFHVURJKSA-N 2 0 304.478 2.860 20 0 DFADRP COCC1(C[NH2+][C@H](C)c2ccc(F)c(OC)c2)CC[NH2+]CC1 ZINC000423405114 296413108 /nfs/dbraw/zinc/41/31/08/296413108.db2.gz JEUYSWDTFCHWJR-CYBMUJFWSA-N 2 0 310.413 2.501 20 0 DFADRP C[C@H]([NH2+]C[C@H]1C[NH2+]C[C@@H]1O)c1ccc(-c2ccc(F)cc2)s1 ZINC000423412742 296414223 /nfs/dbraw/zinc/41/42/23/296414223.db2.gz XJCHCPYUTOCWCL-LNSITVRQSA-N 2 0 320.433 2.785 20 0 DFADRP CC(C)(C)[NH+]1CCC([NH2+]C[C@@H]2CCCO[C@H]2c2cn[nH]c2)CC1 ZINC000624240650 399610543 /nfs/dbraw/zinc/61/05/43/399610543.db2.gz PVBVVHHAKKSJKJ-WMLDXEAASA-N 2 0 320.481 2.730 20 0 DFADRP COCCc1nc(C)c([C@@H](C)[NH2+][C@@H]2C[C@H]2C2CC[NH2+]CC2)s1 ZINC000423426436 296415537 /nfs/dbraw/zinc/41/55/37/296415537.db2.gz FCZHYWXUTLOETG-BYCMXARLSA-N 2 0 323.506 2.679 20 0 DFADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)[C@H]1CCC[C@@H](C)C1 ZINC000357221100 285248304 /nfs/dbraw/zinc/24/83/04/285248304.db2.gz QMJFTFXXQSTSFO-FGTMMUONSA-N 2 0 323.525 2.687 20 0 DFADRP C[C@H]([NH2+]C[C@H]1C[NH2+]C[C@H]1O)c1ccc(-c2ccccc2)s1 ZINC000423437354 296416769 /nfs/dbraw/zinc/41/67/69/296416769.db2.gz UJYVRZYRLWKYFK-NWANDNLSSA-N 2 0 302.443 2.646 20 0 DFADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1ccc(C)s1 ZINC000299722471 285249544 /nfs/dbraw/zinc/24/95/44/285249544.db2.gz NPRIXZURIKUAAN-OAHLLOKOSA-N 2 0 323.506 2.545 20 0 DFADRP Cc1ccc(C[NH+](C)C)cc1NC(=O)[C@H]1[NH2+]CCCC1(C)C ZINC000423440773 296416968 /nfs/dbraw/zinc/41/69/68/296416968.db2.gz OSRKBRWMPASVHE-MRXNPFEDSA-N 2 0 303.450 2.773 20 0 DFADRP c1ccc(C[C@@H]([NH2+]CCC[C@H]2CCC[NH2+]2)c2cccnc2)nc1 ZINC000423477889 296419989 /nfs/dbraw/zinc/41/99/89/296419989.db2.gz KRTUWJAXXXRQNL-IEBWSBKVSA-N 2 0 310.445 2.882 20 0 DFADRP C[C@H]([NH2+]CCC[C@@H]1CCC[NH2+]1)c1ccc(C(=O)N(C)C)cc1 ZINC000423472415 296419424 /nfs/dbraw/zinc/41/94/24/296419424.db2.gz FWHSMTNUZWRKCS-WMLDXEAASA-N 2 0 303.450 2.571 20 0 DFADRP C[C@H]([NH2+]CCC(=O)N1CCCCC1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000347940096 285258677 /nfs/dbraw/zinc/25/86/77/285258677.db2.gz XENLFRSMQURWND-IRXDYDNUSA-N 2 0 321.509 2.632 20 0 DFADRP CC(=O)NCCc1ccc([C@@H](C)[NH2+]CCC[C@@H]2CCC[NH2+]2)cc1 ZINC000423483461 296420568 /nfs/dbraw/zinc/42/05/68/296420568.db2.gz QAMWCSIAHZQEKA-DNVCBOLYSA-N 2 0 317.477 2.548 20 0 DFADRP COc1cc(NC(C)=O)ccc1[C@@H](C)[NH2+]CCC[C@@H]1CCC[NH2+]1 ZINC000423489703 296421235 /nfs/dbraw/zinc/42/12/35/296421235.db2.gz WWHKXIJKNPYAEL-UKRRQHHQSA-N 2 0 319.449 2.836 20 0 DFADRP COc1ccccc1NC(=O)C[C@H](C)[NH2+]CCC[C@H]1CCC[NH2+]1 ZINC000423488334 296421307 /nfs/dbraw/zinc/42/13/07/296421307.db2.gz VHPVYRJEROIYRQ-GJZGRUSLSA-N 2 0 319.449 2.534 20 0 DFADRP C[C@H]([NH2+][C@H]1CC[C@@H](C[NH3+])C1)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000423489983 296421634 /nfs/dbraw/zinc/42/16/34/296421634.db2.gz HCBUNJFLUXGLMI-SCRDCRAPSA-N 2 0 301.434 2.694 20 0 DFADRP COc1cc(C)c(C[C@H](C)[NH2+][C@@H]2CC[C@H](C[NH3+])C2)cc1OC ZINC000423493529 296421948 /nfs/dbraw/zinc/42/19/48/296421948.db2.gz BRVKCOYKWKKHGS-OFQRWUPVSA-N 2 0 306.450 2.660 20 0 DFADRP C[C@H]([NH2+]CCCN1CC[NH+](C)CC1)c1ccc2c(c1)CCCC2 ZINC000120417589 195163469 /nfs/dbraw/zinc/16/34/69/195163469.db2.gz IZXMWMSUKAFFGM-KRWDZBQOSA-N 2 0 315.505 2.854 20 0 DFADRP COc1ccc(C[C@H](C)[NH2+][C@H]2CC[C@@H](C[NH3+])C2)c(C)c1OC ZINC000423520887 296425638 /nfs/dbraw/zinc/42/56/38/296425638.db2.gz WQALMTFKWPPEOR-BJJXKVORSA-N 2 0 306.450 2.660 20 0 DFADRP c1ccc(C[C@H]([NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)c2cccnc2)nc1 ZINC000423539317 296427837 /nfs/dbraw/zinc/42/78/37/296427837.db2.gz ICMUZMDERZOVFZ-ZSXHRAQDSA-N 2 0 322.456 2.738 20 0 DFADRP Cc1nn(C)c2sc([C@H](C)[NH2+][C@@H]3CC[C@@H]4C[NH2+]C[C@@H]4C3)cc12 ZINC000423541012 296428154 /nfs/dbraw/zinc/42/81/54/296428154.db2.gz KKTFDPZYUNNKPI-RFQIPJPRSA-N 2 0 318.490 2.982 20 0 DFADRP c1ccc([C@H]([NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)c2cncnc2)cc1 ZINC000423541400 296428185 /nfs/dbraw/zinc/42/81/85/296428185.db2.gz KUJPWXZSJDNPAK-DKKFBQAASA-N 2 0 308.429 2.544 20 0 DFADRP COc1ccc(C)cc1[C@H](C)[NH2+]C[C@@H](C)CN1CC[NH+](C)CC1 ZINC000120908078 195261899 /nfs/dbraw/zinc/26/18/99/195261899.db2.gz OAUVMUNFHYEURD-SJORKVTESA-N 2 0 319.493 2.538 20 0 DFADRP CC[C@H]([NH2+]C[C@@H](C)CN1CC[NH+](C)CC1)c1ccc(OC)cc1 ZINC000120904076 195262271 /nfs/dbraw/zinc/26/22/71/195262271.db2.gz VENMBHURLJVHMR-APWZRJJASA-N 2 0 319.493 2.619 20 0 DFADRP NC(=O)[C@@H]1CCC[N@H+](CCC[NH2+]CCC2CCCCCC2)C1 ZINC000348019020 285301280 /nfs/dbraw/zinc/30/12/80/285301280.db2.gz OXNMZMHMBICEON-QGZVFWFLSA-N 2 0 309.498 2.524 20 0 DFADRP C[C@H](CCc1cccc(F)c1)[N@H+](C)CCCN1CC[NH+](C)CC1 ZINC000289525808 221039800 /nfs/dbraw/zinc/03/98/00/221039800.db2.gz VTICDLZEGQZNMH-QGZVFWFLSA-N 2 0 321.484 2.716 20 0 DFADRP CO[C@H](C)C[N@H+](C)Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000289617785 221106759 /nfs/dbraw/zinc/10/67/59/221106759.db2.gz LKROMPVUUOUFSP-MRXNPFEDSA-N 2 0 319.493 2.684 20 0 DFADRP c1n[nH]cc1CC[NH2+][C@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000289650006 221129524 /nfs/dbraw/zinc/12/95/24/221129524.db2.gz GEDHBVFKXTWFHJ-UFYCRDLUSA-N 2 0 324.472 2.843 20 0 DFADRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+][C@@H]1C[C@H](C)c2ccccc21 ZINC000289838417 221260354 /nfs/dbraw/zinc/26/03/54/221260354.db2.gz AWMNSIKFJXNNEF-FRQCXROJSA-N 2 0 301.478 2.851 20 0 DFADRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+][C@H]1C[C@@H](C)c2ccccc21 ZINC000289841654 221262684 /nfs/dbraw/zinc/26/26/84/221262684.db2.gz AWMNSIKFJXNNEF-MDZRGWNJSA-N 2 0 301.478 2.851 20 0 DFADRP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)NCc1cccc(C[N@H+](C)C(C)C)c1 ZINC000289864230 221277787 /nfs/dbraw/zinc/27/77/87/221277787.db2.gz GRACLFODBRHARE-ROUUACIJSA-N 2 0 317.477 2.531 20 0 DFADRP CC[C@@H]1[NH2+]CC[C@H]1N[C@H]1CCC[N@H+](Cc2ccccc2)[C@H]1C ZINC000629528316 399636361 /nfs/dbraw/zinc/63/63/61/399636361.db2.gz WFWYWSZDAJYFRV-DSLXNQLJSA-N 2 0 301.478 2.770 20 0 DFADRP Cc1ccc(OC(F)F)c([C@@H](C)[NH2+]CCOCCC[NH3+])c1 ZINC000629536165 399639129 /nfs/dbraw/zinc/63/91/29/399639129.db2.gz GACFXAAWBSHVLA-GFCCVEGCSA-N 2 0 302.365 2.612 20 0 DFADRP C[C@H](Cc1ccccc1C(F)(F)F)[NH2+]CCOCCC[NH3+] ZINC000629540617 399640494 /nfs/dbraw/zinc/64/04/94/399640494.db2.gz VSQMJOHWRWPQKJ-GFCCVEGCSA-N 2 0 304.356 2.591 20 0 DFADRP COc1ccc([C@H](C)[NH2+]CCOCCC[NH3+])c2ccccc12 ZINC000629541949 399641253 /nfs/dbraw/zinc/64/12/53/399641253.db2.gz UWALQCNBFSYNHD-AWEZNQCLSA-N 2 0 302.418 2.864 20 0 DFADRP C[C@@H]([NH2+]CCOCCC[NH3+])c1ccc(Oc2ccccc2)cn1 ZINC000629541303 399641328 /nfs/dbraw/zinc/64/13/28/399641328.db2.gz YHQGRADXFVGLNG-OAHLLOKOSA-N 2 0 315.417 2.890 20 0 DFADRP C[C@@H]1CC[C@H](N[C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C[NH2+]1 ZINC000629543368 399641679 /nfs/dbraw/zinc/64/16/79/399641679.db2.gz ZPIJLMAAJAMMDS-MTEHYEEQSA-N 2 0 313.489 2.912 20 0 DFADRP O[C@@H](C[NH2+][C@H]1C[C@H](c2ccccc2Cl)C1)C[NH+]1CCCC1 ZINC000629580229 399653790 /nfs/dbraw/zinc/65/37/90/399653790.db2.gz OALNAKQGVKZSGY-KKUMJFAQSA-N 2 0 308.853 2.632 20 0 DFADRP O[C@H](C[NH2+][C@H]1C[C@H](c2ccc(Cl)cc2)C1)C[NH+]1CCCC1 ZINC000629579370 399654248 /nfs/dbraw/zinc/65/42/48/399654248.db2.gz TUSPPLPSTXTWHH-DJIMGWMZSA-N 2 0 308.853 2.632 20 0 DFADRP CC[C@H](CC(F)F)C[NH+]1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000629591560 399658089 /nfs/dbraw/zinc/65/80/89/399658089.db2.gz JIMDYSGOCHNVOM-HIFRSBDPSA-N 2 0 304.425 2.758 20 0 DFADRP C[NH+](C)[C@H](CC(=O)N[C@@H]1CC[N@@H+](C(C)(C)C)C1)c1ccccc1 ZINC000617345072 399671097 /nfs/dbraw/zinc/67/10/97/399671097.db2.gz WSLIHRLBGWISEM-IAGOWNOFSA-N 2 0 317.477 2.668 20 0 DFADRP [NH3+][C@@H]1CCC[C@H]([NH2+][C@H]2CCN(c3ccc(Cl)cc3F)C2)C1 ZINC000629544643 399642974 /nfs/dbraw/zinc/64/29/74/399642974.db2.gz JTAUJSUPNOZEDD-RDBSUJKOSA-N 2 0 311.832 2.917 20 0 DFADRP Fc1cc(Cl)ccc1N1CC[C@H]([NH2+][C@H]2CCC[NH2+]CC2)C1 ZINC000629547469 399643876 /nfs/dbraw/zinc/64/38/76/399643876.db2.gz TUSFMGWAWQIPLU-KBPBESRZSA-N 2 0 311.832 2.790 20 0 DFADRP C[C@@H]1[NH2+]CC[C@H]1N[C@@H]1CC[N@H+](Cc2ccccc2)[C@H]2CCC[C@H]21 ZINC000629548264 399644337 /nfs/dbraw/zinc/64/43/37/399644337.db2.gz YIDYTWFUHICHBT-FLNBYBTLSA-N 2 0 313.489 2.770 20 0 DFADRP CC(C)(C)[N@@H+]1CC[C@H](NC(=O)[C@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC000617347384 399672668 /nfs/dbraw/zinc/67/26/68/399672668.db2.gz LMCLSNPEPIMQJG-HOTGVXAUSA-N 2 0 321.509 2.630 20 0 DFADRP [NH3+]C1(C[NH2+]CCCc2c(F)cccc2Cl)CCOCC1 ZINC000629655687 399677617 /nfs/dbraw/zinc/67/76/17/399677617.db2.gz XVDMTYCVSNCKKX-UHFFFAOYSA-N 2 0 300.805 2.509 20 0 DFADRP COc1cc(-c2ccccc2)ccc1C[N@H+](C)CCOCC[NH3+] ZINC000629664031 399682244 /nfs/dbraw/zinc/68/22/44/399682244.db2.gz JGHRIYXPHQERRL-UHFFFAOYSA-N 2 0 314.429 2.769 20 0 DFADRP Fc1ccc(/C=C\C[NH+]2CCC(CO[C@@H]3CC[NH2+]C3)CC2)cc1 ZINC000629672632 399684991 /nfs/dbraw/zinc/68/49/91/399684991.db2.gz NQGONVVWXCXZBE-COLJXDCZSA-N 2 0 318.436 2.929 20 0 DFADRP C[NH2+]CCOCC[N@H+](C)Cc1ccc(OC(F)F)c(Cl)c1 ZINC000629653046 399676397 /nfs/dbraw/zinc/67/63/97/399676397.db2.gz LGFPRCHDVKJPNC-UHFFFAOYSA-N 2 0 322.783 2.609 20 0 DFADRP Cc1c(C[C@H](C[NH3+])CO)cccc1-c1ccc([C@@H](C)[NH3+])c(F)c1 ZINC000629737994 399709027 /nfs/dbraw/zinc/70/90/27/399709027.db2.gz OUGRSUZOBXMBQT-ZIAGYGMSSA-N 2 0 316.420 2.931 20 0 DFADRP Cc1nccnc1CC[NH2+][C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000294976210 224353226 /nfs/dbraw/zinc/35/32/26/224353226.db2.gz KHRHECGUYJOJFQ-LPHOPBHVSA-N 2 0 324.472 2.828 20 0 DFADRP CC[N@@H+]1CC[C@@H](CN[C@H]2C[NH+](Cc3ccccc3)C(C)(C)C2)C1 ZINC000090169663 542534462 /nfs/dbraw/zinc/53/44/62/542534462.db2.gz YKFKUZWDBGPYMZ-RBUKOAKNSA-N 2 0 315.505 2.971 20 0 DFADRP C[C@H]1C[C@H]([N@H+](C)Cc2ccc(OCC[NH+](C)C)cc2)CCN1C ZINC000093643822 542553682 /nfs/dbraw/zinc/55/36/82/542553682.db2.gz RMTPEBFDIUYJTP-FUHWJXTLSA-N 2 0 319.493 2.542 20 0 DFADRP C[NH+](C)CCOc1ccc(C[N@H+](C)C[C@H]2CCCCO2)cc1 ZINC000092427467 542547510 /nfs/dbraw/zinc/54/75/10/542547510.db2.gz GCSZXIRVUJKQEA-GOSISDBHSA-N 2 0 306.450 2.628 20 0 DFADRP COCCC[N@H+](C)Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000092537472 542548549 /nfs/dbraw/zinc/54/85/49/542548549.db2.gz QOQDPPYUITWIKW-UHFFFAOYSA-N 2 0 306.450 2.630 20 0 DFADRP CC[C@@H]1CC[C@H]1[NH2+]Cc1ccc(N2CC[NH+](CC)CC2)nc1 ZINC000348086295 285337762 /nfs/dbraw/zinc/33/77/62/285337762.db2.gz NMINOEKYMBXDHU-IAGOWNOFSA-N 2 0 302.466 2.502 20 0 DFADRP C[C@H]([NH2+][C@@H]1CCc2c[nH]nc2C1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000348099293 285347682 /nfs/dbraw/zinc/34/76/82/285347682.db2.gz WQIIVEKMDFJVJP-ZYSHUDEJSA-N 2 0 324.472 2.767 20 0 DFADRP C[C@@H]([NH2+]C[C@H](C)CN1CC[NH+](C)CC1)c1cccc(Cl)c1 ZINC000120941123 195268725 /nfs/dbraw/zinc/26/87/25/195268725.db2.gz UXNAQNRCFSQYQQ-LSDHHAIUSA-N 2 0 309.885 2.874 20 0 DFADRP C[NH+](C)CCC1CC[NH+](Cc2ccc3c(c2)OCCO3)CC1 ZINC000121641752 195321546 /nfs/dbraw/zinc/32/15/46/195321546.db2.gz FBKLEVILNKRJBU-UHFFFAOYSA-N 2 0 304.434 2.622 20 0 DFADRP CCC[NH+]1CCC(C[NH2+][C@H]2CCO[C@@H](C(F)(F)F)C2)CC1 ZINC000348124331 285365889 /nfs/dbraw/zinc/36/58/89/285365889.db2.gz VYCFINZHZXCTLY-UONOGXRCSA-N 2 0 308.388 2.808 20 0 DFADRP CC[N@@H+]1CCC[C@H](C[NH2+]C2CCN(c3ccccc3)CC2)C1 ZINC000121835862 195358274 /nfs/dbraw/zinc/35/82/74/195358274.db2.gz SRUGRGCNJUOOAD-QGZVFWFLSA-N 2 0 301.478 2.977 20 0 DFADRP CCC(O)(CC)C[NH2+][C@@H](C)c1ccc(OCC[NH+](C)C)cc1 ZINC000121887309 195369263 /nfs/dbraw/zinc/36/92/63/195369263.db2.gz NEZISQHTRFUAPE-HNNXBMFYSA-N 2 0 308.466 2.829 20 0 DFADRP CCC(O)(CC)C[NH2+][C@H](C)c1cccc(OCC[NH+](C)C)c1 ZINC000121905309 195372063 /nfs/dbraw/zinc/37/20/63/195372063.db2.gz UFTMOARPQGFMJY-OAHLLOKOSA-N 2 0 308.466 2.829 20 0 DFADRP COC[C@H](CC(C)C)[NH2+]CCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000358035328 285371389 /nfs/dbraw/zinc/37/13/89/285371389.db2.gz IHNZRJBXYYACKJ-BBWFWOEESA-N 2 0 300.487 2.527 20 0 DFADRP CC(C)C[C@@H](C)C[NH2+]Cc1ccc(C(=O)NCC[NH+](C)C)cc1 ZINC000348133402 285372248 /nfs/dbraw/zinc/37/22/48/285372248.db2.gz LLFGCWBBJDYINR-MRXNPFEDSA-N 2 0 319.493 2.750 20 0 DFADRP C[C@H]([NH2+][C@@H]1C[C@H](C)N(Cc2ccccc2)C1)C1CC[NH+](C)CC1 ZINC000120068740 542576794 /nfs/dbraw/zinc/57/67/94/542576794.db2.gz MPUMBUNHCSMFDP-ABSDTBQOSA-N 2 0 315.505 2.969 20 0 DFADRP CC[N@H+](CCOC[C@@H]1CCCO1)Cc1ccc(C[NH+](C)C)cc1 ZINC000626062539 399741282 /nfs/dbraw/zinc/74/12/82/399741282.db2.gz WFMXIPVTTOOBMC-IBGZPJMESA-N 2 0 320.477 2.766 20 0 DFADRP CC[N@@H+](Cc1ccc(C[NH+](C)C)cc1)C[C@@H](O)COC(C)(C)C ZINC000626062370 399741422 /nfs/dbraw/zinc/74/14/22/399741422.db2.gz PZJWUNYWESNEIG-GOSISDBHSA-N 2 0 322.493 2.746 20 0 DFADRP C[C@H]([NH2+][C@H]1C[C@@H](C)N(Cc2ccccc2)C1)C1CC[NH+](C)CC1 ZINC000120068289 542577155 /nfs/dbraw/zinc/57/71/55/542577155.db2.gz MPUMBUNHCSMFDP-UWVAXJGDSA-N 2 0 315.505 2.969 20 0 DFADRP CC[NH+](CC)CCO[C@@H]1CC[N@H+](CCC(=O)c2ccccc2)C1 ZINC000348161879 285390478 /nfs/dbraw/zinc/39/04/78/285390478.db2.gz APGKBIWEIGGFPF-GOSISDBHSA-N 2 0 318.461 2.692 20 0 DFADRP C[C@H]([NH2+][C@@H]1C[C@@H](C)N(Cc2ccccc2)C1)C1CC[NH+](C)CC1 ZINC000120068579 542577234 /nfs/dbraw/zinc/57/72/34/542577234.db2.gz MPUMBUNHCSMFDP-FUHIMQAGSA-N 2 0 315.505 2.969 20 0 DFADRP CCCCNC(=O)[C@@H](C)[N@H+](CC)Cc1ccc(C[NH+](C)C)cc1 ZINC000626062361 399741115 /nfs/dbraw/zinc/74/11/15/399741115.db2.gz PSKBQOBAXNBCCD-MRXNPFEDSA-N 2 0 319.493 2.875 20 0 DFADRP CC[N@H+](CCO[C@@H]1CC1(F)F)Cc1ccc(C[NH+](C)C)cc1 ZINC000626063730 399742740 /nfs/dbraw/zinc/74/27/40/399742740.db2.gz NWCCSNRISKJUNM-MRXNPFEDSA-N 2 0 312.404 2.994 20 0 DFADRP CN(C)Cc1cnc(CN(CCO)CC2CCCCC2)s1 ZINC000348173516 285398179 /nfs/dbraw/zinc/39/81/79/285398179.db2.gz NBZMNDQQMFJSPQ-UHFFFAOYSA-N 2 0 311.495 2.579 20 0 DFADRP C[NH2+]C[C@@H](C)C(=O)Nc1cccc(CC[NH+]2CCC(C)CC2)c1 ZINC000423838046 296454855 /nfs/dbraw/zinc/45/48/55/296454855.db2.gz HEPYKQJZBIEADF-MRXNPFEDSA-N 2 0 317.477 2.755 20 0 DFADRP CC[C@@H]1[C@@H](C(=O)Nc2ccccc2Nc2cc[nH+]cc2)CC[N@@H+]1C ZINC000632807479 399747596 /nfs/dbraw/zinc/74/75/96/399747596.db2.gz RZPUTZQWTDEPIR-MAUKXSAKSA-N 2 0 324.428 2.916 20 0 DFADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+][C@@H]2CCc3ccc(F)cc32)CC1 ZINC000121265353 542583415 /nfs/dbraw/zinc/58/34/15/542583415.db2.gz PRBXPCCCTQNXEI-HNAYVOBHSA-N 2 0 319.468 2.676 20 0 DFADRP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@@H]2CCc3ccc(F)cc32)CC1 ZINC000121265503 542583738 /nfs/dbraw/zinc/58/37/38/542583738.db2.gz PRBXPCCCTQNXEI-DNVCBOLYSA-N 2 0 319.468 2.676 20 0 DFADRP C[C@H]([NH2+]CCCOCCc1ccccc1)C1CC[NH+](C)CC1 ZINC000125337487 542601433 /nfs/dbraw/zinc/60/14/33/542601433.db2.gz MVGLMAVLCBVTFP-KRWDZBQOSA-N 2 0 304.478 2.956 20 0 DFADRP C[C@@H]1CN(Cc2ccc(OCC[NH+]3CCCC3)cc2)C[C@H](C)O1 ZINC000126952642 542609982 /nfs/dbraw/zinc/60/99/82/542609982.db2.gz BBTRICOPWWPDGD-CALCHBBNSA-N 2 0 318.461 2.770 20 0 DFADRP CCN(CCCNC(=O)C[N@H+](C)C1CCC1)c1ccccc1 ZINC000629943858 399762068 /nfs/dbraw/zinc/76/20/68/399762068.db2.gz CATFZEKKCXQFKR-UHFFFAOYSA-N 2 0 303.450 2.504 20 0 DFADRP CCC[NH+]1CCC([NH2+]C[C@@H](C)Oc2ccccc2OC)CC1 ZINC000129531043 542624648 /nfs/dbraw/zinc/62/46/48/542624648.db2.gz LAHCVWWTJRNQNH-OAHLLOKOSA-N 2 0 306.450 2.927 20 0 DFADRP C[C@@H]([NH2+]Cc1cccc(Cn2cccn2)c1)C1CC[NH+](C)CC1 ZINC000129501017 542625124 /nfs/dbraw/zinc/62/51/24/542625124.db2.gz VHIRRZVVVOOQBZ-MRXNPFEDSA-N 2 0 312.461 2.751 20 0 DFADRP C[N@H+](CC(=O)Nc1ccc(CC[NH+]2CCCC2)cc1)C1CCC1 ZINC000629957096 399769196 /nfs/dbraw/zinc/76/91/96/399769196.db2.gz QMDWEJNQWCSPFE-UHFFFAOYSA-N 2 0 315.461 2.748 20 0 DFADRP C[C@@H]([NH2+]CC[C@@H]1CCCO1)c1ccc(OCC[NH+](C)C)cc1 ZINC000131911590 542639783 /nfs/dbraw/zinc/63/97/83/542639783.db2.gz CFMZWXBMSYMHFX-WBVHZDCISA-N 2 0 306.450 2.847 20 0 DFADRP C[C@H]([NH2+]CC[C@@H]1CCCO1)c1cccc(OCC[NH+](C)C)c1 ZINC000131937801 542639831 /nfs/dbraw/zinc/63/98/31/542639831.db2.gz QTYRFWDDKYQKDM-RDJZCZTQSA-N 2 0 306.450 2.847 20 0 DFADRP CCC[NH+](CCC)CCCC(=O)N1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000423977559 296470915 /nfs/dbraw/zinc/47/09/15/296470915.db2.gz PWPSECDOCNEEQT-ROUUACIJSA-N 2 0 323.525 2.879 20 0 DFADRP C[N@@H+]1CCCN(CCC[NH2+]Cc2cccc(Cl)c2F)CC1 ZINC000133962693 542648158 /nfs/dbraw/zinc/64/81/58/542648158.db2.gz JUIPMKOTBUTZLT-UHFFFAOYSA-N 2 0 313.848 2.596 20 0 DFADRP COCC[C@@H]1CCC[C@@H]1[NH2+]CC1(SC)CC[NH+](C)CC1 ZINC000353627425 132136814 /nfs/dbraw/zinc/13/68/14/132136814.db2.gz KIIQURPRUZRWJT-GJZGRUSLSA-N 2 0 300.512 2.609 20 0 DFADRP CC[NH+](CC)[C@H](C(=O)NCC[C@@H](C)[NH+](C)C)c1ccccc1 ZINC000617751742 399789888 /nfs/dbraw/zinc/78/98/88/399789888.db2.gz BYHAHSVGKXRKCU-WBVHZDCISA-N 2 0 305.466 2.526 20 0 DFADRP C[NH+](C)[C@H](CN[C@H]1CC[N@@H+]2CCC[C@@H]2C1)c1cccc(F)c1 ZINC000165946555 542749454 /nfs/dbraw/zinc/74/94/54/542749454.db2.gz CSHPIBCXRORVCX-RCCFBDPRSA-N 2 0 305.441 2.645 20 0 DFADRP CCC(CC)C(=O)N1CCC([NH2+][C@@H](C)C2CC[NH+](C)CC2)CC1 ZINC000166109160 542749673 /nfs/dbraw/zinc/74/96/73/542749673.db2.gz GSBVXUAZDNJSEI-HNNXBMFYSA-N 2 0 323.525 2.734 20 0 DFADRP C[NH+](C)[C@H](CN[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccc(F)cc1 ZINC000166232708 542750223 /nfs/dbraw/zinc/75/02/23/542750223.db2.gz ZNXRIXXTNGPFSW-KZNAEPCWSA-N 2 0 305.441 2.645 20 0 DFADRP c1ccc2c(c1)CC[NH+](CCCN[C@H]1CC[N@@H+]3CCC[C@@H]3C1)C2 ZINC000166067252 542750351 /nfs/dbraw/zinc/75/03/51/542750351.db2.gz TUWZMEWIARHIFS-VQTJNVASSA-N 3 0 313.489 2.651 20 0 DFADRP C[C@H](CCNC(=O)c1cccc(C[NH+]2CCCCC2)c1)[NH+](C)C ZINC000617762439 399793798 /nfs/dbraw/zinc/79/37/98/399793798.db2.gz PACALDIHHLRPEM-MRXNPFEDSA-N 2 0 317.477 2.743 20 0 DFADRP CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)c2ccc(C[NH3+])cc2)C1 ZINC000168642025 542754086 /nfs/dbraw/zinc/75/40/86/542754086.db2.gz XLUIWAIIMIGRHL-OAHLLOKOSA-N 2 0 317.477 2.776 20 0 DFADRP C[C@@H]([NH2+]C1(CNC(=O)[C@H]2CCC[NH2+]2)CCCC1)c1ccccc1 ZINC000168665242 542754111 /nfs/dbraw/zinc/75/41/11/542754111.db2.gz FOCBZTIKJFMSDN-NVXWUHKLSA-N 2 0 315.461 2.518 20 0 DFADRP [NH3+]CC[C@@H]1CCCN(C(=O)CC[C@@H]([NH3+])CC2CCCCC2)C1 ZINC000424175730 296490369 /nfs/dbraw/zinc/49/03/69/296490369.db2.gz OAWKEHZPXKQUBB-DLBZAZTESA-N 2 0 309.498 2.652 20 0 DFADRP C[NH+](C)CCOc1cc(C[NH2+][C@H]2CC[C@H]2C(C)(C)C)ccn1 ZINC000348423500 285538944 /nfs/dbraw/zinc/53/89/44/285538944.db2.gz VGGNSEQBQOHDNH-CVEARBPZSA-N 2 0 305.466 2.936 20 0 DFADRP CCCC[N@H+](C)CC1CC[NH+](Cc2cn(C)nc2CC)CC1 ZINC000179685230 542781261 /nfs/dbraw/zinc/78/12/61/542781261.db2.gz QHFNAYMOYWFVHW-UHFFFAOYSA-N 2 0 306.498 2.926 20 0 DFADRP CC1([NH+]2CCCC2)CCN(C(=O)Nc2cccc(C[NH3+])c2)CC1 ZINC000632948667 399804713 /nfs/dbraw/zinc/80/47/13/399804713.db2.gz KNOLHAMDUGMUEZ-UHFFFAOYSA-N 2 0 316.449 2.628 20 0 DFADRP C[C@@H]1C[C@H]([NH2+]CCc2nc(-c3ccccn3)cs2)CC[N@@H+]1C ZINC000181009757 542787184 /nfs/dbraw/zinc/78/71/84/542787184.db2.gz NGMXWDDMOXEJFW-ZIAGYGMSSA-N 2 0 316.474 2.820 20 0 DFADRP c1nc2ccccn2c1C[NH2+]C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000192924617 542854982 /nfs/dbraw/zinc/85/49/82/542854982.db2.gz SAYJZYSZGDMNGK-SFHVURJKSA-N 2 0 320.440 2.946 20 0 DFADRP CC[NH+](CC)CCN(Cc1ccccc1)C(=O)CC1([NH3+])CCC1 ZINC000236864278 542898737 /nfs/dbraw/zinc/89/87/37/542898737.db2.gz AYIKXISMBQTOKD-UHFFFAOYSA-N 2 0 317.477 2.629 20 0 DFADRP CC[NH+](CC)Cc1cccc(CNC(=O)C2CCC([NH3+])CC2)c1 ZINC000621503900 399820362 /nfs/dbraw/zinc/82/03/62/399820362.db2.gz CCQGDUVWNQJIND-UHFFFAOYSA-N 2 0 317.477 2.662 20 0 DFADRP [NH3+]C[C@@H](CN1CCC[C@@H]1C[NH+]1CCCCC1)c1ccc(F)cc1 ZINC000424301927 296499870 /nfs/dbraw/zinc/49/98/70/296499870.db2.gz LKQPLAPVXRIWPH-PKOBYXMFSA-N 2 0 319.468 2.818 20 0 DFADRP C[C@@H]([NH2+][C@@H]1C[C@H]2CC[C@@H]1O2)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000274937625 542974885 /nfs/dbraw/zinc/97/48/85/542974885.db2.gz SFHCTXWUQAZYNR-QTUASDBPSA-N 2 0 300.446 2.807 20 0 DFADRP CCC[N@H+](CC)Cc1ccc(C(=O)N[C@H]2CCC[C@H]([NH3+])C2)cc1 ZINC000275805649 542975893 /nfs/dbraw/zinc/97/58/93/542975893.db2.gz UHFOFOPVIREHFW-ROUUACIJSA-N 2 0 317.477 2.918 20 0 DFADRP C[C@H](Cc1ccccc1)[NH+]1CCC(N[C@@H]2CCCC[C@H]2[NH3+])CC1 ZINC000424377442 296505756 /nfs/dbraw/zinc/50/57/56/296505756.db2.gz RFWIZNVEISXFAD-NSISKUIASA-N 2 0 315.505 2.942 20 0 DFADRP Cc1cc(C[NH3+])cc(NC(=O)NCC[NH+]2[C@H](C)CCC[C@H]2C)c1 ZINC000424438478 296509849 /nfs/dbraw/zinc/50/98/49/296509849.db2.gz PTBFGBOJBDPPBY-HUUCEWRRSA-N 2 0 318.465 2.838 20 0 DFADRP CC(C)[N@@H+](C)C[C@@H](C)N[C@H]1C[C@@H](C)[NH+](Cc2ccccc2)C1 ZINC000309817093 543065626 /nfs/dbraw/zinc/06/56/26/543065626.db2.gz OJUAHVRSYWMKCF-LMMKCTJWSA-N 2 0 303.494 2.968 20 0 DFADRP C[C@@H]([NH2+][C@H](C)C1CC[NH+](C)CC1)c1ccc(NC(N)=O)cc1 ZINC000315544035 543072003 /nfs/dbraw/zinc/07/20/03/543072003.db2.gz MGEJVOVKTXDDMA-CHWSQXEVSA-N 2 0 304.438 2.558 20 0 DFADRP C[C@@H]([NH2+]CC(C)(C)N1CC[NH+](C)CC1)c1cc(F)cc(F)c1 ZINC000316852449 543074232 /nfs/dbraw/zinc/07/42/32/543074232.db2.gz DFBZOSGAWCIGSC-CYBMUJFWSA-N 2 0 311.420 2.641 20 0 DFADRP Cc1ccccc1-c1noc(CN(C)[C@@H]2CCC[NH2+]CC2)n1 ZINC000318937871 543078569 /nfs/dbraw/zinc/07/85/69/543078569.db2.gz RFWPWRWPDQVFRD-CQSZACIVSA-N 2 0 300.406 2.619 20 0 DFADRP CCCOc1ccc(OCC[N@@H+]2CC[C@@H]([NH3+])[C@H](CC)C2)cc1 ZINC000317616425 543076442 /nfs/dbraw/zinc/07/64/42/543076442.db2.gz TUAIUNMGXSBWOM-CRAIPNDOSA-N 2 0 306.450 2.913 20 0 DFADRP COc1cc(C)c(C[N@@H+]2C[C@@H]3CCC[C@]3(C[NH3+])C2)cc1OC ZINC000319625986 543079613 /nfs/dbraw/zinc/07/96/13/543079613.db2.gz MQHJWLKMKBGPRT-YJBOKZPZSA-N 2 0 304.434 2.573 20 0 DFADRP CC(C)C[C@H](C[NH3+])CC(=O)Nc1cccc(OCC[NH+](C)C)c1 ZINC000321724735 543086587 /nfs/dbraw/zinc/08/65/87/543086587.db2.gz WYKWJIMEKQFBTN-HNNXBMFYSA-N 2 0 321.465 2.577 20 0 DFADRP CCc1ccc(CC[NH+]2CCN([C@H]3CCC[N@H+](C)C3)CC2)cc1 ZINC000604390347 399843354 /nfs/dbraw/zinc/84/33/54/399843354.db2.gz WBWMOXBXDYRXQL-FQEVSTJZSA-N 2 0 315.505 2.503 20 0 DFADRP Cc1cc(C)c(C[NH+]2CCN([C@H]3CCC[N@@H+](C)C3)CC2)c(C)c1 ZINC000604389185 399843887 /nfs/dbraw/zinc/84/38/87/399843887.db2.gz UXPIGKGTRIUWJP-IBGZPJMESA-N 2 0 315.505 2.824 20 0 DFADRP CC1CC[NH+](CCCCNC(=O)CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000339262623 543142594 /nfs/dbraw/zinc/14/25/94/543142594.db2.gz FIHGBZVKJORVDR-GOSISDBHSA-N 2 0 323.525 2.879 20 0 DFADRP CCO[C@@H](C[N@@H+]1CC[C@H](CNc2cc(C)ccn2)C1)C1CC1 ZINC000625156102 399855559 /nfs/dbraw/zinc/85/55/59/399855559.db2.gz UXGICYBQPHFWMW-WBVHZDCISA-N 2 0 303.450 2.939 20 0 DFADRP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)CC[NH+]1CCCC[C@@H]1C ZINC000339274401 543143789 /nfs/dbraw/zinc/14/37/89/543143789.db2.gz IZVHXRYJGBYUJN-DLBZAZTESA-N 2 0 309.498 2.632 20 0 DFADRP C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CN[C@H]2CC[NH+]3CCC[C@H]3C2)C1 ZINC000339066080 543139110 /nfs/dbraw/zinc/13/91/10/543139110.db2.gz ATKHWVGTAWTYKW-MHORFTMASA-N 2 0 307.526 2.959 20 0 DFADRP C[C@H]([NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccc(-n2cncn2)cc1 ZINC000339071976 543139319 /nfs/dbraw/zinc/13/93/19/543139319.db2.gz WFNISPQJNPHNNJ-ZVZYQTTQSA-N 2 0 311.433 2.545 20 0 DFADRP Cc1nc2ccccc2n1CCC[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000339070258 543139794 /nfs/dbraw/zinc/13/97/94/543139794.db2.gz ZWVREICJEOJFQJ-IRXDYDNUSA-N 2 0 312.461 2.951 20 0 DFADRP c1ccc(C2(C[NH2+][C@H]3CC[N@@H+]4CCC[C@H]4C3)CCOCC2)cc1 ZINC000339074992 543140546 /nfs/dbraw/zinc/14/05/46/543140546.db2.gz OLPATJPZOGZTAC-OALUTQOASA-N 2 0 314.473 2.951 20 0 DFADRP CC(C)[C@H](C)[NH2+]C[C@@H]1CCCN(C2CC2)[C@H]1c1ccnn1C ZINC000345040363 543175007 /nfs/dbraw/zinc/17/50/07/543175007.db2.gz YDRPSZPDFYQQCL-RLFYNMQTSA-N 2 0 304.482 2.970 20 0 DFADRP CC(C)[C@@H]1CC[C@@H]1[NH2+]CCCN1CCN(c2cc[nH+]cc2)CC1 ZINC000353495487 543235996 /nfs/dbraw/zinc/23/59/96/543235996.db2.gz HWUZNBNZNCLNKD-OALUTQOASA-N 2 0 316.493 2.618 20 0 DFADRP C1CCC([NH+]2CCC([NH2+][C@H]3CCOC4(CCOCC4)C3)CC2)C1 ZINC000358315295 543266606 /nfs/dbraw/zinc/26/66/06/543266606.db2.gz GYTWERAJJRVYKT-KRWDZBQOSA-N 2 0 322.493 2.711 20 0 DFADRP FC(F)(F)c1cccc(OCCC[NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000359273787 543272267 /nfs/dbraw/zinc/27/22/67/543272267.db2.gz JJQGBPMBSTWKIC-CHWSQXEVSA-N 2 0 314.351 2.626 20 0 DFADRP CC[NH+](CC)C[C@H](C)N[C@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C ZINC000361154839 543280172 /nfs/dbraw/zinc/28/01/72/543280172.db2.gz QWDVAUAIQPOBPC-AOIWGVFYSA-N 2 0 318.509 2.612 20 0 DFADRP C[C@@H]1C[C@H]([NH2+][C@H]2CCCN(C)C2)CCN1Cc1ccccc1 ZINC000379642526 543297475 /nfs/dbraw/zinc/29/74/75/543297475.db2.gz AEZYGEDYIVZTCO-QRQLOZEOSA-N 2 0 301.478 2.723 20 0 DFADRP CCC[NH+]1CCC([NH2+]C[C@H](O)COc2c(C)cccc2C)CC1 ZINC000378967420 543296932 /nfs/dbraw/zinc/29/69/32/543296932.db2.gz WFCLVAANXOLKOB-SFHVURJKSA-N 2 0 320.477 2.507 20 0 DFADRP C[C@H]1C[C@@H]([NH2+]CC(C)(C)N2CC[NH+](C)CC2)c2ccccc21 ZINC000390129603 543305709 /nfs/dbraw/zinc/30/57/09/543305709.db2.gz HBKVRWGDLMMMLD-MAUKXSAKSA-N 2 0 301.478 2.851 20 0 DFADRP c1ccc(N2CC[NH+](Cc3cccc4c3CC[NH2+]C4)CC2)cc1 ZINC000391333314 543308679 /nfs/dbraw/zinc/30/86/79/543308679.db2.gz BMFJTGIWUBOWFO-UHFFFAOYSA-N 2 0 307.441 2.655 20 0 DFADRP OC1(C[NH2+][C@@H]2CCC[C@@H]3C[C@@H]32)CC[NH+](Cc2ccccc2)CC1 ZINC000397519574 543310673 /nfs/dbraw/zinc/31/06/73/543310673.db2.gz UHZJGBACSLESOX-CEXWTWQISA-N 2 0 314.473 2.792 20 0 DFADRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@H](C)c1c(C)nn(CC)c1C ZINC000166033740 145233370 /nfs/dbraw/zinc/23/33/70/145233370.db2.gz VEFGIVWPJUOAIZ-CZUORRHYSA-N 2 0 310.486 2.527 20 0 DFADRP CC1CCC([NH+]2CCC(N(C)C(=O)C[C@H]3CCC[NH2+]3)CC2)CC1 ZINC000166560130 145235555 /nfs/dbraw/zinc/23/55/55/145235555.db2.gz GBJSAJWENANLPP-UPTPFMHGSA-N 2 0 321.509 2.630 20 0 DFADRP C[C@@H]([NH3+])[C@H]1CCN(CC(=O)Nc2ccc(Cl)c(Cl)c2)C1 ZINC000168656695 145243570 /nfs/dbraw/zinc/24/35/70/145243570.db2.gz JTXBCQMZNBVMGY-ZJUUUORDSA-N 2 0 316.232 2.601 20 0 DFADRP C[C@@H]([NH3+])[C@@H]1CCN(Cc2nc(-c3cccc(Cl)c3)no2)C1 ZINC000168612430 145244202 /nfs/dbraw/zinc/24/42/02/145244202.db2.gz PQHYUHNJCNPGNJ-ZYHUDNBSSA-N 2 0 306.797 2.559 20 0 DFADRP C[C@@H](CC(=O)NCCCCC[NH+]1CCCCC1)[C@@H]1CCC[NH2+]C1 ZINC000168742812 145244362 /nfs/dbraw/zinc/24/43/62/145244362.db2.gz OQAGBQIVZZFIFV-ZWKOTPCHSA-N 2 0 323.525 2.785 20 0 DFADRP Cc1nc(C)c([C@H](C)[NH2+]C[C@H](C(C)C)N2CC[NH+](C)CC2)s1 ZINC000170973038 145257277 /nfs/dbraw/zinc/25/72/77/145257277.db2.gz NOQWLOZOFMDGBJ-XJKSGUPXSA-N 2 0 324.538 2.683 20 0 DFADRP Cc1noc(C)c1C[NH+]1CCC(C[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000171306308 145263076 /nfs/dbraw/zinc/26/30/76/145263076.db2.gz DOPPBNDDUUHZTO-ZIAGYGMSSA-N 2 0 321.465 2.613 20 0 DFADRP Cc1ccccc1C[NH+]1CCN(C[C@H]2CCCC[N@H+]2C)CC1 ZINC000171921845 145283897 /nfs/dbraw/zinc/28/38/97/145283897.db2.gz ORGKQFNKGRPEOX-LJQANCHMSA-N 2 0 301.478 2.597 20 0 DFADRP [NH3+]CCC[NH2+]C1CCN(Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000415088615 543328585 /nfs/dbraw/zinc/32/85/85/543328585.db2.gz WINBMXPHIIGBEY-UHFFFAOYSA-N 2 0 316.276 2.896 20 0 DFADRP COc1ccc(C[NH2+][C@@H](C)[C@H]2CC[NH2+]C2)c(C(F)(F)F)c1 ZINC000415076524 543328679 /nfs/dbraw/zinc/32/86/79/543328679.db2.gz CTVJUCCPNOZGMZ-QWRGUYRKSA-N 2 0 302.340 2.802 20 0 DFADRP CC[NH2+]Cc1cccc(NC(=O)N[C@@H](C)C[NH+](CC)CC)c1 ZINC000415908175 543331380 /nfs/dbraw/zinc/33/13/80/543331380.db2.gz OWIDKKMBGUIMMA-AWEZNQCLSA-N 2 0 306.454 2.648 20 0 DFADRP CCC1([NH+](C)C)CCN(C(=O)NCc2cnc(C)cc2C)CC1 ZINC000633287773 399882266 /nfs/dbraw/zinc/88/22/66/399882266.db2.gz YMRKPLVTXSWFAO-UHFFFAOYSA-N 2 0 318.465 2.714 20 0 DFADRP O=C(CC[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1)Nc1ccccc1 ZINC000173876576 145359493 /nfs/dbraw/zinc/35/94/93/145359493.db2.gz RXJONIFCAVAJAP-KRWDZBQOSA-N 2 0 315.461 2.823 20 0 DFADRP O[C@@H](CNc1cc[nH+]c2cc(F)ccc12)C[NH+]1CCCCC1 ZINC000174686192 145387272 /nfs/dbraw/zinc/38/72/72/145387272.db2.gz GOKCHZPOVJEBAQ-AWEZNQCLSA-N 2 0 303.381 2.633 20 0 DFADRP CCOc1cc2[nH+]ccc(N3C[C@H]([NH3+])C[C@H]3C)c2cc1OCC ZINC000630559009 399903183 /nfs/dbraw/zinc/90/31/83/399903183.db2.gz NUNIVHOOTGOWFD-CHWSQXEVSA-N 2 0 315.417 2.958 20 0 DFADRP CCC1([NH+]2CCCC2)CCN(C(=O)CC2CC[NH+](C)CC2)CC1 ZINC000633958300 399965957 /nfs/dbraw/zinc/96/59/57/399965957.db2.gz VFRZEOIVANOAEL-UHFFFAOYSA-N 2 0 321.509 2.585 20 0 DFADRP COc1cc(F)cc(OC)c1C[NH2+]CCC1CC[NH+](C)CC1 ZINC000631064199 399972674 /nfs/dbraw/zinc/97/26/74/399972674.db2.gz KVCMFQOUHMZRQB-UHFFFAOYSA-N 2 0 310.413 2.664 20 0 DFADRP CCC[NH+]1CCC(C[NH2+]Cc2ccnn2CC2CCC2)CC1 ZINC000631065866 399973048 /nfs/dbraw/zinc/97/30/48/399973048.db2.gz VFMLVSGMEJZQPC-UHFFFAOYSA-N 2 0 304.482 2.895 20 0 DFADRP Cc1cc(C)c(/C=C\C[NH2+]C[C@H](C)N2CC[NH+](C)CC2)c(C)c1 ZINC000631065420 399973133 /nfs/dbraw/zinc/97/31/33/399973133.db2.gz RPRLZWWRXREOCD-RURPWVQCSA-N 2 0 315.505 2.851 20 0 DFADRP C[C@H]1C[NH+](Cc2ccccc2C[NH2+][C@@H]2CCSC2)C[C@H](C)O1 ZINC000177888792 145495796 /nfs/dbraw/zinc/49/57/96/145495796.db2.gz TVYVRQXPUMGAGP-RLFYNMQTSA-N 2 0 320.502 2.891 20 0 DFADRP Cc1ccc([C@@H](C)C[NH+]2CCC([N@@H+](C)C[C@H](C)O)CC2)cc1 ZINC000628165771 399994647 /nfs/dbraw/zinc/99/46/47/399994647.db2.gz LSENEHQLMFOKTO-IRXDYDNUSA-N 2 0 304.478 2.876 20 0 DFADRP COc1cncc(C[NH2+]CC2CC[NH+](CC3CC3)CC2)c1C ZINC000631179582 399997454 /nfs/dbraw/zinc/99/74/54/399997454.db2.gz VFLIXZILBBAJKD-UHFFFAOYSA-N 2 0 303.450 2.610 20 0 DFADRP Cc1ccc([C@@H](C)C[N@@H+]2CC[C@H](CN3CCOCC3)C2)cc1 ZINC000628184021 399997657 /nfs/dbraw/zinc/99/76/57/399997657.db2.gz XFCCYSABRHLENT-ZWKOTPCHSA-N 2 0 302.462 2.753 20 0 DFADRP Cc1nn(C)cc1C[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000631196197 400001361 /nfs/dbraw/zinc/00/13/61/400001361.db2.gz OOBNATLSUINYJT-YJBOKZPZSA-N 2 0 312.461 2.586 20 0 DFADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+]C[C@@H](C)c2ccc(C)cc2)CC1 ZINC000628213486 400002293 /nfs/dbraw/zinc/00/22/93/400002293.db2.gz LXIZYIYFNDZTAS-RBUKOAKNSA-N 2 0 317.521 2.962 20 0 DFADRP C[NH+](C)CCCN(CCC[NH+](C)C)Cc1ccc2[nH]ccc2c1 ZINC000628277089 400012153 /nfs/dbraw/zinc/01/21/53/400012153.db2.gz BGCNRVYVIXGGIR-UHFFFAOYSA-N 2 0 316.493 2.873 20 0 DFADRP C[NH+](C)CCCOc1cnccc1C[NH2+]C[C@]1(C)CCCS1 ZINC000628282594 400013118 /nfs/dbraw/zinc/01/31/18/400013118.db2.gz LKEMTDDNTFQLSE-KRWDZBQOSA-N 2 0 323.506 2.787 20 0 DFADRP C[N@@H+]1CC[C@H]([NH2+]C2(CO)C3CC4CC(C3)CC2C4)CC1(C)C ZINC000628311487 400018677 /nfs/dbraw/zinc/01/86/77/400018677.db2.gz NXCMKXDIRYGGLH-MGMWPHTOSA-N 2 0 306.494 2.636 20 0 DFADRP C[C@]1(C[NH2+]Cc2ccc(C[N@@H+]3CC[C@@H](O)C3)cc2)CCCS1 ZINC000628337990 400022293 /nfs/dbraw/zinc/02/22/93/400022293.db2.gz XABIZXJDNGBUBL-QZTJIDSGSA-N 2 0 320.502 2.629 20 0 DFADRP CCC[C@@H]([NH2+]C[C@@H](C)CN1CC[NH+](C)CC1)c1cc(C)ccn1 ZINC000631574821 400053363 /nfs/dbraw/zinc/05/33/63/400053363.db2.gz GKSNPHRULZTJSJ-QZTJIDSGSA-N 2 0 318.509 2.704 20 0 DFADRP C([NH2+][C@H]1[C@@H]2CCO[C@@H]2C12CCCC2)C1CC[NH+](C2CC2)CC1 ZINC000631622059 400058956 /nfs/dbraw/zinc/05/89/56/400058956.db2.gz LVOJQRWHSJLYJC-BZSNNMDCSA-N 2 0 304.478 2.798 20 0 DFADRP OC[C@H]1C[C@@H]([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@H]3CCC[C@H]32)C1 ZINC000631673405 400065067 /nfs/dbraw/zinc/06/50/67/400065067.db2.gz RSCNSVMIJHYRPS-YHDCXSKOSA-N 2 0 314.473 2.790 20 0 DFADRP C[NH+](C)CC1(C(=O)NC[C@H]2CC[N@@H+]2C2CCCC2)CCCCC1 ZINC000628965477 400066751 /nfs/dbraw/zinc/06/67/51/400066751.db2.gz YJOGSFDYCSVOLF-QGZVFWFLSA-N 2 0 321.509 2.632 20 0 DFADRP C[C@H]([NH2+][C@H]1C[C@@H](C)O[C@@H]1C)c1cccc(OCC[NH+](C)C)c1 ZINC000631700931 400068405 /nfs/dbraw/zinc/06/84/05/400068405.db2.gz LMCNHMOPDHFFGO-FSZRXZPDSA-N 2 0 306.450 2.844 20 0 DFADRP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCC[N@@H+]2C[C@H]2CCC(F)(F)C2)C1 ZINC000631829778 400078231 /nfs/dbraw/zinc/07/82/31/400078231.db2.gz ZJUQXFJFJVPOBY-YJNKXOJESA-N 2 0 302.409 2.783 20 0 DFADRP Cc1cc(C)c(C[NH+]2CCC(CO[C@H]3CC[NH2+]C3)CC2)c(C)n1 ZINC000631830224 400078271 /nfs/dbraw/zinc/07/82/71/400078271.db2.gz MPPQDGXGFAVNES-SFHVURJKSA-N 2 0 317.477 2.597 20 0 DFADRP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCC[N@@H+]2C[C@@H]2CCC(F)(F)C2)C1 ZINC000631829775 400078323 /nfs/dbraw/zinc/07/83/23/400078323.db2.gz ZJUQXFJFJVPOBY-KBXIAJHMSA-N 2 0 302.409 2.783 20 0 DFADRP CCn1nc(C)c(C[N@H+](C)Cc2cccc3c2CC[NH2+]C3)c1C ZINC000631834788 400078614 /nfs/dbraw/zinc/07/86/14/400078614.db2.gz FRQPKGTVHBLJJG-UHFFFAOYSA-N 2 0 312.461 2.798 20 0 DFADRP C[C@H]1C[N@H+](Cc2ccccc2OCC(F)(F)F)C[C@H]1C[NH3+] ZINC000631841193 400078908 /nfs/dbraw/zinc/07/89/08/400078908.db2.gz ZLVAUZXYOYIHHS-WCQYABFASA-N 2 0 302.340 2.654 20 0 DFADRP C[C@H]1C[N@H+](Cc2ccc(OCc3ccncc3)cc2)C[C@@H]1C[NH3+] ZINC000631840904 400079083 /nfs/dbraw/zinc/07/90/83/400079083.db2.gz VZOBJEVXDROQAK-YJBOKZPZSA-N 2 0 311.429 2.687 20 0 DFADRP CC1(C[NH2+]Cc2ccccc2C[N@@H+]2CCC[C@@H]2CO)CCC1 ZINC000434753121 543348987 /nfs/dbraw/zinc/34/89/87/543348987.db2.gz DRAHLQHRCKLAFO-GOSISDBHSA-N 2 0 302.462 2.923 20 0 DFADRP CC(C)C[C@H]([NH3+])C(=O)NC[C@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000236699992 146025027 /nfs/dbraw/zinc/02/50/27/146025027.db2.gz QGBYLHUSZCRYPE-YCPHGPKFSA-N 2 0 323.506 2.621 20 0 DFADRP CCCC[C@@H]([NH3+])C(=O)NC[C@@H](c1ccsc1)[NH+](CC)CC ZINC000236764860 146026274 /nfs/dbraw/zinc/02/62/74/146026274.db2.gz XWSXFRRQTBGNFJ-CABCVRRESA-N 2 0 311.495 2.765 20 0 DFADRP CC[C@@H]1C[N@H+](CC[C@H](C)[NH+]2CCCO[C@@H](CC)C2)CCCO1 ZINC000439477928 543353509 /nfs/dbraw/zinc/35/35/09/543353509.db2.gz WDQKAROZHNYIHI-KSZLIROESA-N 2 0 312.498 2.767 20 0 DFADRP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)[C@@]2(C)CCCC[NH2+]2)C1 ZINC000237683215 146050346 /nfs/dbraw/zinc/05/03/46/146050346.db2.gz GKPGXPCSVBVQEB-ZIFCJYIRSA-N 2 0 321.509 2.632 20 0 DFADRP CC1(C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)OCCO1 ZINC000245639594 146090358 /nfs/dbraw/zinc/09/03/58/146090358.db2.gz ALUDZGIUVBJIAP-BCDXTJNWSA-N 2 0 316.445 2.535 20 0 DFADRP OC[C@H]1C=C[C@@H]([NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC000245721907 146096880 /nfs/dbraw/zinc/09/68/80/146096880.db2.gz OXLFWRLEGYHBGL-LJDSDSDDSA-N 2 0 312.457 2.709 20 0 DFADRP C[C@H](CCCO)[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000245745679 146099276 /nfs/dbraw/zinc/09/92/76/146099276.db2.gz SLVJVFQQFYZMGG-OWYHZJEWSA-N 2 0 302.462 2.933 20 0 DFADRP COc1ccccc1N1CC[C@H](C[NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)C1 ZINC000247085122 146160977 /nfs/dbraw/zinc/16/09/77/146160977.db2.gz RDXPZZADBCRWDS-ZACQAIPSSA-N 2 0 317.477 2.594 20 0 DFADRP CC(C)O[C@@H]1C[C@@H]([NH2+]C2CC[NH+](C[C@H]3CCOC3)CC2)C1(C)C ZINC000248947941 146178696 /nfs/dbraw/zinc/17/86/96/146178696.db2.gz ZMORAMHFOUEOQC-KBAYOESNSA-N 2 0 324.509 2.669 20 0 DFADRP c1ccc(CC[N@@H+]2CC[C@H](C[NH2+]C[C@H]3CCC=CO3)C2)cc1 ZINC000249050811 146184557 /nfs/dbraw/zinc/18/45/57/146184557.db2.gz XJXYSKAVSGEFJY-RTBURBONSA-N 2 0 300.446 2.833 20 0 DFADRP CC[N@@H+]1CC[C@H](NC[C@H](C)[NH+](C)Cc2ccccc2)[C@H](C)C1 ZINC000252695975 146222098 /nfs/dbraw/zinc/22/20/98/146222098.db2.gz AZXZTMMQXRTYOE-AOIWGVFYSA-N 2 0 303.494 2.827 20 0 DFADRP C[C@@H]1C[C@H](C[N@H+](C)C2CCN(Cc3ccccc3)CC2)CC[NH2+]1 ZINC000261544198 146237663 /nfs/dbraw/zinc/23/76/63/146237663.db2.gz IOTVUSFFSAVSLR-IEBWSBKVSA-N 2 0 315.505 2.971 20 0 DFADRP c1ccc(CN2CC[C@H]([NH2+][C@@H]3CCC[C@@H]3[C@H]3CCC[NH2+]3)C2)cc1 ZINC000261546037 146239631 /nfs/dbraw/zinc/23/96/31/146239631.db2.gz KPSBTPMYNTZFPN-MTQWCTHYSA-N 2 0 313.489 2.771 20 0 DFADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000261551698 146239827 /nfs/dbraw/zinc/23/98/27/146239827.db2.gz QVIQYTPVPWICBW-QYZOEREBSA-N 3 0 301.478 2.616 20 0 DFADRP [NH3+][C@@H]1CCC[C@H]([NH2+][C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]23)C1 ZINC000261559731 146241547 /nfs/dbraw/zinc/24/15/47/146241547.db2.gz ZGXZLSPBKDJYIQ-SWBPCFCJSA-N 3 0 313.489 2.757 20 0 DFADRP C[C@@H]1C[C@H](C[NH+]2CCN(c3cccc(Cl)c3)CC2)CC[NH2+]1 ZINC000261594995 146243944 /nfs/dbraw/zinc/24/39/44/146243944.db2.gz CBVWXAZIYDLULJ-HUUCEWRRSA-N 2 0 307.869 2.850 20 0 DFADRP Cc1ccccc1NC(=O)CN1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000261609273 146245975 /nfs/dbraw/zinc/24/59/75/146245975.db2.gz BOZMKVOLZNKFMJ-MSOLQXFVSA-N 2 0 323.440 2.608 20 0 DFADRP C[C@]1(C[NH3+])CC[N@H+](Cc2cccc(OCC(F)(F)F)c2)C1 ZINC000261622760 146248256 /nfs/dbraw/zinc/24/82/56/146248256.db2.gz DNMNWKPIMHIIJV-CQSZACIVSA-N 2 0 302.340 2.798 20 0 DFADRP FC(F)(F)c1c[nH]c([C@@H]2CCC[N@H+](C[C@H]3CCC[NH2+]C3)C2)n1 ZINC000261638419 146250488 /nfs/dbraw/zinc/25/04/88/146250488.db2.gz AAJXCUDCGFLBAH-NWDGAFQWSA-N 2 0 316.371 2.608 20 0 DFADRP C[NH2+]CCC1CC[NH+](CC(=O)N(c2ccccc2)C(C)C)CC1 ZINC000261631632 146250805 /nfs/dbraw/zinc/25/08/05/146250805.db2.gz CBEOASGGAAMHAT-UHFFFAOYSA-N 2 0 317.477 2.750 20 0 DFADRP CCn1ccnc1C[N@H+](C[C@@H]1C[C@H]1C)[C@H]1CC12CC[NH2+]CC2 ZINC000261644292 146252179 /nfs/dbraw/zinc/25/21/79/146252179.db2.gz AMEADSGZZBMYPO-PMPSAXMXSA-N 2 0 302.466 2.503 20 0 DFADRP CCn1ccnc1C[N@H+](C[C@@H]1C[C@@H]1C)[C@@H]1CC12CC[NH2+]CC2 ZINC000261644289 146252313 /nfs/dbraw/zinc/25/23/13/146252313.db2.gz AMEADSGZZBMYPO-HRCADAONSA-N 2 0 302.466 2.503 20 0 DFADRP C[C@@H](c1ccc(F)c(Cl)c1)[N@@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000261641490 146252463 /nfs/dbraw/zinc/25/24/63/146252463.db2.gz IQFQZJLRZGBPPL-JSGCOSHPSA-N 2 0 311.832 2.520 20 0 DFADRP [NH3+][C@@H]1CCC[C@H]2C[N@H+](Cc3ccnn3-c3ccc(F)cc3)C[C@H]21 ZINC000261644304 146252606 /nfs/dbraw/zinc/25/26/06/146252606.db2.gz AMPCTJWVFBRSSZ-MORSLUCNSA-N 2 0 314.408 2.571 20 0 DFADRP c1csc(C[N@@H+](C[C@@H]2CCSC2)[C@@H]2CC23CC[NH2+]CC3)n1 ZINC000261762738 146272013 /nfs/dbraw/zinc/27/20/13/146272013.db2.gz DDRZKTHZZWYJLQ-UONOGXRCSA-N 2 0 323.531 2.840 20 0 DFADRP Cc1ncsc1C[N@H+](C[C@@H]1CC[NH2+]C1)C[C@@H]1CCSC1 ZINC000261773885 146274403 /nfs/dbraw/zinc/27/44/03/146274403.db2.gz DWMPHOOYHGCILN-KGLIPLIRSA-N 2 0 311.520 2.616 20 0 DFADRP C[C@]1(C[NH3+])CC[N@H+](Cc2ccc(OCc3ccncc3)cc2)C1 ZINC000261773366 146274465 /nfs/dbraw/zinc/27/44/65/146274465.db2.gz SHMTUUSLJUYUDJ-LJQANCHMSA-N 2 0 311.429 2.831 20 0 DFADRP C[C@@H]([NH3+])CC(=O)NC[C@@H]1CCCC[N@@H+]1Cc1cccc(Cl)c1 ZINC000261776556 146275279 /nfs/dbraw/zinc/27/52/79/146275279.db2.gz JEIGYNJTGPLMKU-CJNGLKHVSA-N 2 0 323.868 2.548 20 0 DFADRP Cc1ccc(C[NH+]2CCC([C@H](C)[NH3+])CC2)c(-c2cnn(C)c2)c1 ZINC000261792344 146277471 /nfs/dbraw/zinc/27/74/71/146277471.db2.gz GHSMINRSZLJRDN-HNNXBMFYSA-N 2 0 312.461 2.955 20 0 DFADRP COc1cc(C)c(C[NH+]2CCC([C@@H]3CCC[NH2+]3)CC2)cc1OC ZINC000261798459 146279147 /nfs/dbraw/zinc/27/91/47/146279147.db2.gz UOWWIVPYGCCMBA-KRWDZBQOSA-N 2 0 318.461 2.976 20 0 DFADRP COc1ccc(C[N@@H+]2CCC[C@@H]([C@@H](C)[NH3+])C2)cc1OC(F)F ZINC000261844151 146287946 /nfs/dbraw/zinc/28/79/46/146287946.db2.gz CWNRHNDGLXHAMQ-DGCLKSJQSA-N 2 0 314.376 2.856 20 0 DFADRP Fc1ccc(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2COCCN2)cc1Cl ZINC000261877220 146292811 /nfs/dbraw/zinc/29/28/11/146292811.db2.gz DUMZDLGEMAQYHB-WQVCFCJDSA-N 2 0 312.816 2.726 20 0 DFADRP Cc1nc2ccccc2n1C[C@@H]1CCC[N@@H+]1C[C@H]1CCC[NH2+]C1 ZINC000261929635 146303849 /nfs/dbraw/zinc/30/38/49/146303849.db2.gz LKJRHZVGGIBABO-IRXDYDNUSA-N 3 0 312.461 2.809 20 0 DFADRP COc1cccc(C[NH+]2CCC([C@H]3CCC[NH2+]3)CC2)c1OC ZINC000261931501 146304256 /nfs/dbraw/zinc/30/42/56/146304256.db2.gz JOEQGLCKLIINDB-MRXNPFEDSA-N 2 0 304.434 2.668 20 0 DFADRP C[NH2+]C[C@@H]1CCCN(Cc2cc(C(=O)OC)ccc2Cl)C1 ZINC000261942985 146307021 /nfs/dbraw/zinc/30/70/21/146307021.db2.gz MZLACWPLOKQUGW-LBPRGKRZSA-N 2 0 310.825 2.558 20 0 DFADRP C[C@H]([NH3+])C1CC[NH+](Cc2nc(-c3ccc(Cl)cc3)no2)CC1 ZINC000261962589 146310155 /nfs/dbraw/zinc/31/01/55/146310155.db2.gz OXYYXOSRBWEWTI-NSHDSACASA-N 2 0 320.824 2.949 20 0 DFADRP C[C@]1(C[N@@H+]2CCC[C@@H]2C[C@H](O)c2ccc(F)cc2)CC[NH2+]C1 ZINC000261977868 146313795 /nfs/dbraw/zinc/31/37/95/146313795.db2.gz IXLUWVNNPMVQIA-SQNIBIBYSA-N 2 0 306.425 2.713 20 0 DFADRP COc1cc(C[N@@H+]2CCC3(C2)CC[NH2+]CC3)cc(Cl)c1OC ZINC000261981853 146314839 /nfs/dbraw/zinc/31/48/39/146314839.db2.gz JHKMKZRMKWKWHA-UHFFFAOYSA-N 2 0 324.852 2.933 20 0 DFADRP CCOc1ccc(OCC[N@H+](C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000261988317 146316699 /nfs/dbraw/zinc/31/66/99/146316699.db2.gz SQTKXOOHVHWIRM-XYPWUTKMSA-N 2 0 304.434 2.679 20 0 DFADRP C[C@]1(C[N@@H+]2CCC[C@H](n3ccc(C(F)(F)F)n3)C2)CC[NH2+]C1 ZINC000261998158 146318696 /nfs/dbraw/zinc/31/86/96/146318696.db2.gz LAFSHWFRKYFNML-JSGCOSHPSA-N 2 0 316.371 2.538 20 0 DFADRP CCc1ccc(NC(=O)[C@H](C)[NH+]2CCC(CC[NH2+]C)CC2)cc1 ZINC000262015909 146321933 /nfs/dbraw/zinc/32/19/33/146321933.db2.gz VYSMMGJTDUZCPU-HNNXBMFYSA-N 2 0 317.477 2.898 20 0 DFADRP C[C@@H](C(=O)Nc1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1)C1C[NH2+]C1 ZINC000262029865 146324857 /nfs/dbraw/zinc/32/48/57/146324857.db2.gz BJORTWMFGHTXNC-LSDHHAIUSA-N 2 0 315.461 2.713 20 0 DFADRP COc1ccc2nc(C[N@@H+]3CCC4(C3)CC[NH2+]CC4)sc2c1 ZINC000262047070 146327538 /nfs/dbraw/zinc/32/75/38/146327538.db2.gz PTUQNZAZYBKODK-UHFFFAOYSA-N 2 0 317.458 2.880 20 0 DFADRP CCn1nc(C[NH+]2CCC(CC[NH2+]C)CC2)c2ccccc21 ZINC000262071679 146329582 /nfs/dbraw/zinc/32/95/82/146329582.db2.gz GCSSNFUQCKINJW-UHFFFAOYSA-N 2 0 300.450 2.878 20 0 DFADRP C[C@H]([NH3+])C1CC[NH+](Cc2ccc(OC[C@@H]3CCCO3)cc2)CC1 ZINC000262104091 146334183 /nfs/dbraw/zinc/33/41/83/146334183.db2.gz JHXQKAJVJLGANZ-KXBFYZLASA-N 2 0 318.461 2.804 20 0 DFADRP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](CCC(=O)Nc3cccc(Cl)c3)C[C@@H]21 ZINC000262344634 146352257 /nfs/dbraw/zinc/35/22/57/146352257.db2.gz UPQNJXWBOZWNJV-UHOFOFEASA-N 2 0 321.852 2.728 20 0 DFADRP C[C@H](C(=O)Nc1ccc(C[NH+]2CCCCCC2)cc1)C1C[NH2+]C1 ZINC000262337362 146352413 /nfs/dbraw/zinc/35/24/13/146352413.db2.gz HKVRAJANKHFVMX-HNNXBMFYSA-N 2 0 315.461 2.857 20 0 DFADRP CC(C)c1ccc([C@H]([NH3+])CNC(=O)[C@H]([NH3+])c2ccccc2)cc1 ZINC000262445881 146359758 /nfs/dbraw/zinc/35/97/58/146359758.db2.gz PLPUKPRFXCKXJG-QZTJIDSGSA-N 2 0 311.429 2.626 20 0 DFADRP Fc1ccc(-c2nc(CN3CC[C@@H]4C[NH2+]C[C@@H]4C3)co2)cc1 ZINC000262534960 146368930 /nfs/dbraw/zinc/36/89/30/146368930.db2.gz QGFBTVYIMONUJZ-ZIAGYGMSSA-N 2 0 301.365 2.522 20 0 DFADRP Fc1ccc(-c2nc(CN3CC[C@H]4C[NH2+]C[C@@H]4C3)co2)cc1 ZINC000262534957 146369563 /nfs/dbraw/zinc/36/95/63/146369563.db2.gz QGFBTVYIMONUJZ-UONOGXRCSA-N 2 0 301.365 2.522 20 0 DFADRP Cc1ccc([C@H]([NH3+])C(=O)NC[C@@H](C2CCCCC2)[NH+](C)C)cc1 ZINC000262681679 146381649 /nfs/dbraw/zinc/38/16/49/146381649.db2.gz WFKWHBRPVOKQOA-ROUUACIJSA-N 2 0 317.477 2.622 20 0 DFADRP C[NH+]1CCN(CCC(C)(C)[NH2+]C[C@H]2C[C@H]2c2ccccc2)CC1 ZINC000349821475 285948264 /nfs/dbraw/zinc/94/82/64/285948264.db2.gz LHGINHADMWDEAL-MOPGFXCFSA-N 2 0 315.505 2.796 20 0 DFADRP CC[NH+]1CCC(CC[NH2+][C@@H]2CC[C@H](CC(=O)OC)[C@H]2C)CC1 ZINC000354462469 147046982 /nfs/dbraw/zinc/04/69/82/147046982.db2.gz NNNSGTUJEUDANY-DJIMGWMZSA-N 2 0 310.482 2.676 20 0 DFADRP Cc1ccc(C)c2c1CCC[C@@H]2[NH2+]CC1(O)CC[NH+](C)CC1 ZINC000349823855 285948912 /nfs/dbraw/zinc/94/89/12/285948912.db2.gz WMVRURZKWGYPBI-KRWDZBQOSA-N 2 0 302.462 2.727 20 0 DFADRP C[NH+](C)C1CCN(CCNc2nccc3ccc(F)cc32)CC1 ZINC000354546596 147074545 /nfs/dbraw/zinc/07/45/45/147074545.db2.gz VNVQLEKTZIQUCM-UHFFFAOYSA-N 2 0 316.424 2.812 20 0 DFADRP C[C@H](O)C[NH+]1CCC(C[N@H+](C)Cc2scnc2C2CC2)CC1 ZINC000494937364 543416614 /nfs/dbraw/zinc/41/66/14/543416614.db2.gz LRKOLQQOYKYEDV-ZDUSSCGKSA-N 2 0 323.506 2.545 20 0 DFADRP CCCC[N@H+](CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C)C1CC1 ZINC000354807031 147158469 /nfs/dbraw/zinc/15/84/69/147158469.db2.gz NQWMJERYEXCNHD-SFHVURJKSA-N 2 0 317.477 2.670 20 0 DFADRP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@@H+]2C[C@@H]1C[C@H]1c1ccccc1 ZINC000355218365 147226972 /nfs/dbraw/zinc/22/69/72/147226972.db2.gz HSXNRLPNUUETLU-YHDCXSKOSA-N 2 0 314.473 2.974 20 0 DFADRP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCCN2Cc1ccc(F)c(F)c1 ZINC000355229043 147231580 /nfs/dbraw/zinc/23/15/80/147231580.db2.gz YARKZCIIMQWSNW-KBRIMQKVSA-N 2 0 310.388 2.648 20 0 DFADRP C[NH+](C)CCOc1ccc(CC[NH2+][C@H]2CC[C@@H]2C2CC2)cc1 ZINC000516673027 543424176 /nfs/dbraw/zinc/42/41/76/543424176.db2.gz IBWXOBVZHAUXEL-MOPGFXCFSA-N 2 0 302.462 2.948 20 0 DFADRP COc1cc2c(cc1CN(C)CC[C@H]1CCCC[N@@H+]1C)OCO2 ZINC000355386071 147294136 /nfs/dbraw/zinc/29/41/36/147294136.db2.gz PYYKMDOLEMPXEH-OAHLLOKOSA-N 2 0 320.433 2.730 20 0 DFADRP Cc1cc(NC(=O)c2cccc(C[NH+](C)C)c2)cn2ccnc12 ZINC000355469212 147328341 /nfs/dbraw/zinc/32/83/41/147328341.db2.gz DUNXZBQYYXIEOQ-UHFFFAOYSA-N 2 0 308.385 2.957 20 0 DFADRP c1ccc(N2CCC([NH2+]C3CC([NH+]4CCCCC4)C3)CC2)nc1 ZINC000355588736 147374100 /nfs/dbraw/zinc/37/41/00/147374100.db2.gz YDHBSPOWFXRVMD-UHFFFAOYSA-N 2 0 314.477 2.657 20 0 DFADRP CCCC[N@H+](C)C[C@@H](C)Nc1cncc(-n2ccnc2C)n1 ZINC000357586783 148048373 /nfs/dbraw/zinc/04/83/73/148048373.db2.gz YUHCKDXNIVIARS-CYBMUJFWSA-N 2 0 302.426 2.503 20 0 DFADRP C[C@H](O)C[N@H+](C)C1CCN(CCc2ccccc2Cl)CC1 ZINC000357638512 148066609 /nfs/dbraw/zinc/06/66/09/148066609.db2.gz SUDNUUJXGBESEN-AWEZNQCLSA-N 2 0 310.869 2.660 20 0 DFADRP CCCC(O)(CCC)C[NH2+]Cc1cc(C2CC[NH2+]CC2)no1 ZINC000425893172 296602970 /nfs/dbraw/zinc/60/29/70/296602970.db2.gz BIPLREPGSUALKL-UHFFFAOYSA-N 2 0 309.454 2.563 20 0 DFADRP COC1CCC(CC[NH2+]Cc2cc(C3CC[NH2+]CC3)no2)CC1 ZINC000425896104 296603492 /nfs/dbraw/zinc/60/34/92/296603492.db2.gz MTOXMPZNTDGSMH-UHFFFAOYSA-N 2 0 321.465 2.827 20 0 DFADRP C[C@@H]1CN(C2CC2)C[C@@H]1[NH2+][C@H](c1ccccc1)[C@H]1CCCO1 ZINC000358077575 148234786 /nfs/dbraw/zinc/23/47/86/148234786.db2.gz APXXKNZRUYSOIN-ZWQIFLOQSA-N 2 0 300.446 2.979 20 0 DFADRP C[C@H]1C[N@H+](C)CC[C@H]1[NH2+]CCc1cc(Cl)c2c(c1)OCCO2 ZINC000358080289 148236790 /nfs/dbraw/zinc/23/67/90/148236790.db2.gz GEEGWILKEZDABX-SWLSCSKDSA-N 2 0 324.852 2.584 20 0 DFADRP CCOCCC1(C[NH2+]Cc2cc(C3CC[NH2+]CC3)no2)CCC1 ZINC000425900615 296603684 /nfs/dbraw/zinc/60/36/84/296603684.db2.gz OIBIWVKLTNKGGU-UHFFFAOYSA-N 2 0 321.465 2.828 20 0 DFADRP c1[nH]c2ccccc2c1CC[NH2+]Cc1cc(C2CC[NH2+]CC2)no1 ZINC000425899689 296603852 /nfs/dbraw/zinc/60/38/52/296603852.db2.gz LTMXTSRMTWSZPX-UHFFFAOYSA-N 2 0 324.428 2.955 20 0 DFADRP CCC(CC)[C@H](CNCc1cc(C2CC[NH2+]CC2)no1)[NH+](C)C ZINC000425902956 296603965 /nfs/dbraw/zinc/60/39/65/296603965.db2.gz UVUQNJSKWBCOTO-SFHVURJKSA-N 2 0 322.497 2.598 20 0 DFADRP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]CCc1nc2ccccc2n1C(F)F ZINC000358168952 148268644 /nfs/dbraw/zinc/26/86/44/148268644.db2.gz OLPBYULNXZBRGM-CHWSQXEVSA-N 2 0 322.403 2.904 20 0 DFADRP C[C@H](NC[C@]1(O)CC[N@H+](C)C1)c1cc(F)c(Cl)cc1Cl ZINC000358265303 148310921 /nfs/dbraw/zinc/31/09/21/148310921.db2.gz ZNNFWIAYOVJXLC-LKFCYVNXSA-N 2 0 321.223 2.850 20 0 DFADRP CC[NH+](CC)CCOCC[NH2+]Cc1ccc(F)c2cccnc12 ZINC000350359532 286031347 /nfs/dbraw/zinc/03/13/47/286031347.db2.gz SKAOPNLRTHJDGF-UHFFFAOYSA-N 2 0 319.424 2.822 20 0 DFADRP C[C@H](Cc1cnn(C)c1)[NH2+][C@@H]1C[C@@H](C)N(Cc2ccccc2)C1 ZINC000350484973 286048814 /nfs/dbraw/zinc/04/88/14/286048814.db2.gz YDEMTWSTIFVSKT-GPMSIDNRSA-N 2 0 312.461 2.604 20 0 DFADRP C[NH+]1CCC(C)(C[NH2+]Cc2ncc(Br)s2)CC1 ZINC000359930739 148790527 /nfs/dbraw/zinc/79/05/27/148790527.db2.gz FSBAEFUEYLOKRE-UHFFFAOYSA-N 2 0 318.284 2.727 20 0 DFADRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H]2CCOC(C)(C)C2)[C@H](C)C1 ZINC000358251481 286064619 /nfs/dbraw/zinc/06/46/19/286064619.db2.gz MONYVZFUBRDOCK-IKGGRYGDSA-N 2 0 312.498 2.671 20 0 DFADRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H]2CCOC(C)(C)C2)[C@@H](C)C1 ZINC000358251499 286064788 /nfs/dbraw/zinc/06/47/88/286064788.db2.gz MONYVZFUBRDOCK-ULQDDVLXSA-N 2 0 312.498 2.671 20 0 DFADRP Cc1cc(CN2CCC(Oc3ccncc3C)CC2)nc(C)n1 ZINC000660429663 543525853 /nfs/dbraw/zinc/52/58/53/543525853.db2.gz JNDDRURIIOFGEH-UHFFFAOYSA-N 2 0 312.417 2.840 20 0 DFADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1N[C@H]1CC[NH+]2CCC[C@H]2C1 ZINC000361030784 149012039 /nfs/dbraw/zinc/01/20/39/149012039.db2.gz LQORDIONKPNZNO-GTAWCEEGSA-N 2 0 313.489 2.723 20 0 DFADRP Cn1cc(C[NH+]2CCC(CC[NH+](C)C)CC2)c(C(F)F)n1 ZINC000361181811 149048810 /nfs/dbraw/zinc/04/88/10/149048810.db2.gz RLAHXFZYXTXOCD-UHFFFAOYSA-N 2 0 300.397 2.521 20 0 DFADRP C(CC1CC[NH+](C[C@H]2CCSC2)CC1)C[NH+]1CCOCC1 ZINC000426162053 296616236 /nfs/dbraw/zinc/61/62/36/296616236.db2.gz OODRLKUUVBBGLM-QGZVFWFLSA-N 2 0 312.523 2.564 20 0 DFADRP Cc1ccc(C[NH+](C)C)cc1NC(=O)C[NH+]1[C@H](C)CC[C@H]1C ZINC000361205545 149054485 /nfs/dbraw/zinc/05/44/85/149054485.db2.gz ITWYWCXGVOTBCC-HUUCEWRRSA-N 2 0 303.450 2.868 20 0 DFADRP CCc1nocc1C[NH+]1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000350743253 286081170 /nfs/dbraw/zinc/08/11/70/286081170.db2.gz HCNIUOKFIMFAQI-GASCZTMLSA-N 2 0 321.465 2.558 20 0 DFADRP CN(CCC[N@H+](C)C[C@H]1C[C@@H]1c1ccccc1)CC[NH+](C)C ZINC000361395521 149104666 /nfs/dbraw/zinc/10/46/66/149104666.db2.gz OTMFVEOYVHWXSD-RTBURBONSA-N 2 0 303.494 2.605 20 0 DFADRP CCCCNC(=[NH2+])NC[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000361803511 149224650 /nfs/dbraw/zinc/22/46/50/149224650.db2.gz JZTSGIKMTDKCKU-QGZVFWFLSA-N 2 0 302.466 2.813 20 0 DFADRP C[C@@H]([NH2+]Cc1ccccc1C[NH+]1CCC(O)CC1)C1(C)CC1 ZINC000361968810 149266911 /nfs/dbraw/zinc/26/69/11/149266911.db2.gz REDXIANXHUJKGV-OAHLLOKOSA-N 2 0 302.462 2.922 20 0 DFADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]C[C@@]2(C)CCCS2)[C@@H](C)C1 ZINC000361973471 149268134 /nfs/dbraw/zinc/26/81/34/149268134.db2.gz XPDSCGZYJTZASW-YESZJQIVSA-N 2 0 314.539 2.999 20 0 DFADRP CC[N@H+](C)C[C@@H]1CC[NH+](CCC(=O)Nc2cccc(F)c2C)C1 ZINC000362393651 149296248 /nfs/dbraw/zinc/29/62/48/149296248.db2.gz UHYHHGAMUNIFEW-HNNXBMFYSA-N 2 0 321.440 2.736 20 0 DFADRP Cc1ccccc1C[N@@H+](C)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000362720213 149350463 /nfs/dbraw/zinc/35/04/63/149350463.db2.gz TZBJYGQLYOPBIN-IBGZPJMESA-N 2 0 301.478 2.595 20 0 DFADRP CCc1nocc1C[N@@H+]1CC[C@@H](CNc2cccc(C)[nH+]2)C1 ZINC000351112814 286110330 /nfs/dbraw/zinc/11/03/30/286110330.db2.gz WKVPZVMQHZMHSR-AWEZNQCLSA-N 2 0 300.406 2.874 20 0 DFADRP [NH3+][C@@H]1CC[C@@H]2C[N@H+](CCOc3ccccc3C(F)(F)F)C[C@@H]12 ZINC000351475824 286129335 /nfs/dbraw/zinc/12/93/35/286129335.db2.gz JKIQXZDGTSQEQN-YRGRVCCFSA-N 2 0 314.351 2.753 20 0 DFADRP [NH3+][C@@H]1CC[C@H]2C[N@H+](CCC(=O)Nc3cccc4ccccc43)C[C@H]12 ZINC000351488190 286133150 /nfs/dbraw/zinc/13/31/50/286133150.db2.gz DZSMKCVXPUSOQI-RYQLBKOJSA-N 2 0 323.440 2.838 20 0 DFADRP [NH3+][C@@H]1CC[C@@H]2C[N@H+](CCC(=O)Nc3cccc4ccccc43)C[C@H]12 ZINC000351488187 286133361 /nfs/dbraw/zinc/13/33/61/286133361.db2.gz DZSMKCVXPUSOQI-BPQIPLTHSA-N 2 0 323.440 2.838 20 0 DFADRP CC(=O)c1c(C)cc(C)c(C[N@@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)c1C ZINC000351492451 286134767 /nfs/dbraw/zinc/13/47/67/286134767.db2.gz LHOZRLHJRQKITR-CGTJXYLNSA-N 2 0 300.446 2.984 20 0 DFADRP [NH3+][C@@H]1CC[C@@H]2C[N@H+](Cc3cc(-c4ccc(F)cc4)no3)C[C@@H]12 ZINC000351495931 286135768 /nfs/dbraw/zinc/13/57/68/286135768.db2.gz QDWILTGATYCTRV-DAXOMENPSA-N 2 0 301.365 2.650 20 0 DFADRP CC(C)[NH+]1CCC(NC(=O)C[N@@H+]2C[C@@H]3CCCCCC[C@H]32)CC1 ZINC000371208182 150004162 /nfs/dbraw/zinc/00/41/62/150004162.db2.gz HBIKFXLIKFTZQE-FUHWJXTLSA-N 2 0 321.509 2.630 20 0 DFADRP Cc1ccc(C)c(C[N@H+]2CCC[C@@H](CN3CC[NH+](C)CC3)C2)c1 ZINC000371265816 150011757 /nfs/dbraw/zinc/01/17/57/150011757.db2.gz FSEFWGPGYFDZGA-IBGZPJMESA-N 2 0 315.505 2.763 20 0 DFADRP Cc1ccc(C[N@H+]2CC[C@H](N3CC[NH+](C(C)C)CC3)C2)c(C)c1 ZINC000371336225 150027027 /nfs/dbraw/zinc/02/70/27/150027027.db2.gz ODYKXTCOMXVSQR-FQEVSTJZSA-N 2 0 315.505 2.904 20 0 DFADRP Cc1ccc(C[N@H+]2CC[C@@H](N3CC[NH+](C(C)C)CC3)C2)c(C)c1 ZINC000371336226 150027379 /nfs/dbraw/zinc/02/73/79/150027379.db2.gz ODYKXTCOMXVSQR-HXUWFJFHSA-N 2 0 315.505 2.904 20 0 DFADRP COc1cc(CN2C[C@@H]3C[N@@H+]4CCCC[C@@H]4[C@H]3C2)cc(OC)c1 ZINC000371403568 150040197 /nfs/dbraw/zinc/04/01/97/150040197.db2.gz UPWMQQMWAYTTLS-AYOQOUSVSA-N 2 0 316.445 2.620 20 0 DFADRP Cc1ncc(CN2CC[C@@H]3CC[N@@H+](C)[C@H]3C2)n1-c1ccccc1 ZINC000371541303 150062491 /nfs/dbraw/zinc/06/24/91/150062491.db2.gz AEBYPQWFVCGVEL-LPHOPBHVSA-N 2 0 310.445 2.707 20 0 DFADRP c1csc(Cn2cccc2C[NH2+][C@H]2CCc3nccn3C2)c1 ZINC000371693531 150083013 /nfs/dbraw/zinc/08/30/13/150083013.db2.gz JVMQLEIRQAXYEN-AWEZNQCLSA-N 2 0 312.442 2.899 20 0 DFADRP C[NH+](C)Cc1cccc(NC(=O)[C@H]2CCN2Cc2ccccc2)c1 ZINC000371817928 150100242 /nfs/dbraw/zinc/10/02/42/150100242.db2.gz CXORJNKZCMGTGY-LJQANCHMSA-N 2 0 323.440 2.961 20 0 DFADRP CSC[C@H](O)C[N@H+](C)[C@@H]1CCN(Cc2ccccc2)C[C@H]1C ZINC000372303472 150160969 /nfs/dbraw/zinc/16/09/69/150160969.db2.gz XVEATERSRSGBRB-KBAYOESNSA-N 2 0 322.518 2.553 20 0 DFADRP CCN1CCC[C@@H](C[N@H+](C)Cc2cc[nH]c2)[C@@H]1c1cnn(C)c1 ZINC000372512578 150177686 /nfs/dbraw/zinc/17/76/86/150177686.db2.gz AHODPGUOPCOICU-FUHWJXTLSA-N 2 0 315.465 2.653 20 0 DFADRP COc1c(C)cnc(C[N@H+](C)C[C@@H]2CCc3nccn3C2)c1C ZINC000372527504 150179964 /nfs/dbraw/zinc/17/99/64/150179964.db2.gz RGHDQJNSIBSRGP-HNNXBMFYSA-N 2 0 314.433 2.598 20 0 DFADRP C[NH+](C)CC1(C[NH2+]CCCNC(=O)OC(C)(C)C)CCCC1 ZINC000496338946 300048811 /nfs/dbraw/zinc/04/88/11/300048811.db2.gz GOXODKXLUYIXJV-UHFFFAOYSA-N 2 0 313.486 2.613 20 0 DFADRP C[NH+]1CCN(C2(C[NH2+]C[C@H]3CCC=CO3)CCCCCC2)CC1 ZINC000373204484 150246956 /nfs/dbraw/zinc/24/69/56/150246956.db2.gz IKIWOXTZSOAGKL-GOSISDBHSA-N 2 0 321.509 2.609 20 0 DFADRP COc1ccc(C[N@@H+]2CCC[C@H](c3nccn3C)C2)cc1OC ZINC000373230455 150250579 /nfs/dbraw/zinc/25/05/79/150250579.db2.gz QOAUCGJWVZRZMK-HNNXBMFYSA-N 2 0 315.417 2.817 20 0 DFADRP COc1ccc(CC[C@H](C)[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1O ZINC000373789936 150257518 /nfs/dbraw/zinc/25/75/18/150257518.db2.gz YQUNOEPCGOSUNB-BHYGNILZSA-N 2 0 318.461 2.938 20 0 DFADRP C[N@@H+]1CCCC[C@@H]1CCN1CC[NH+](CCc2cccs2)CC1 ZINC000351618378 286171345 /nfs/dbraw/zinc/17/13/45/286171345.db2.gz IVBSJNIEFIUUKT-QGZVFWFLSA-N 2 0 321.534 2.783 20 0 DFADRP C[C@H](C(=O)Nc1ccccc1)[N@@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000374162365 150315801 /nfs/dbraw/zinc/31/58/01/150315801.db2.gz NSDMCVQPNDTOTO-MRXNPFEDSA-N 2 0 315.461 2.821 20 0 DFADRP C[NH+]1CCC2(CCC[N@@H+]2Cc2ccc(-n3ccnc3)cc2)CC1 ZINC000374321965 150343905 /nfs/dbraw/zinc/34/39/05/150343905.db2.gz AYCXUNZRQUOVNO-UHFFFAOYSA-N 2 0 310.445 2.933 20 0 DFADRP C[C@H]([NH2+]C[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1)[C@H]1CCOC1 ZINC000374526806 150373056 /nfs/dbraw/zinc/37/30/56/150373056.db2.gz LSGSKBOBTXHBCG-NEPXVJNWSA-N 2 0 302.462 2.912 20 0 DFADRP C[C@H]([NH2+]C[C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1)[C@@H]1CCOC1 ZINC000374526807 150373491 /nfs/dbraw/zinc/37/34/91/150373491.db2.gz LSGSKBOBTXHBCG-PBWTXFEYSA-N 2 0 302.462 2.912 20 0 DFADRP COc1ccc(C(=O)CC[NH+]2CCC(C[NH+](C)C)CC2)cc1 ZINC000351858276 286233512 /nfs/dbraw/zinc/23/35/12/286233512.db2.gz VKZRXIHFIDSNKY-UHFFFAOYSA-N 2 0 304.434 2.542 20 0 DFADRP CCC[C@H]([NH2+]C(C)C)C(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000352051816 286280428 /nfs/dbraw/zinc/28/04/28/286280428.db2.gz FNZRZHUYSGICKJ-SZMVWBNQSA-N 2 0 321.509 2.628 20 0 DFADRP CCC[C@H]([NH2+]C(C)C)C(=O)N[C@H](C)C[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000352179574 286313054 /nfs/dbraw/zinc/31/30/54/286313054.db2.gz ZHSIZQOGNRXTOJ-NXOAAHMSSA-N 2 0 311.514 2.636 20 0 DFADRP CC[NH+](CC)CCOC1CC[NH+](C[C@H]2CCO[C@@H](C)C2)CC1 ZINC000352613783 286420700 /nfs/dbraw/zinc/42/07/00/286420700.db2.gz YLBAFTOSNZZMON-IRXDYDNUSA-N 2 0 312.498 2.624 20 0 DFADRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@H](C)c1ccc(NC(C)=O)cc1 ZINC000182113402 286443206 /nfs/dbraw/zinc/44/32/06/286443206.db2.gz JUDDNMLXMMULSB-RDTXWAMCSA-N 2 0 321.465 2.652 20 0 DFADRP CC(C)[C@H]1[NH2+]CC[C@H]1C(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000353437381 286644453 /nfs/dbraw/zinc/64/44/53/286644453.db2.gz CBHJWSDJLWMVFA-QZTJIDSGSA-N 2 0 321.509 2.534 20 0 DFADRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@H]1C[C@H](OC(C)C)C1(C)C ZINC000185236176 158049989 /nfs/dbraw/zinc/04/99/89/158049989.db2.gz ALJRLPQGWQHESM-PMPSAXMXSA-N 2 0 300.487 2.525 20 0 DFADRP CC[N@@H+]1CC[C@H]([NH2+]CCc2nc3c(cccc3F)n2C)[C@@H](C)C1 ZINC000246578005 158095975 /nfs/dbraw/zinc/09/59/75/158095975.db2.gz YKMWETCHGFRWJE-ZFWWWQNUSA-N 2 0 318.440 2.575 20 0 DFADRP CC(C)[C@@H](C)[NH2+]CCCN1CC[N@H+](C)C[C@H]1c1ccccc1 ZINC000246878228 158103469 /nfs/dbraw/zinc/10/34/69/158103469.db2.gz DUOSIYUMEMNATO-MJGOQNOKSA-N 2 0 303.494 2.999 20 0 DFADRP CC[N@@H+]1CC[C@@H]([NH2+]CCc2cc(OC)ccc2OC)[C@@H](C)C1 ZINC000247058582 158116899 /nfs/dbraw/zinc/11/68/99/158116899.db2.gz PJYPKWUNIGHRPC-WMLDXEAASA-N 2 0 306.450 2.566 20 0 DFADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+][C@H]1CCN(c2ncccc2Cl)C1 ZINC000247124362 158119847 /nfs/dbraw/zinc/11/98/47/158119847.db2.gz PXNDSVJQSVFXCS-NYTXWWLZSA-N 2 0 322.884 2.632 20 0 DFADRP CCC[N@@H+]1CC[C@H](C[NH2+][C@H](C)c2ccc3c(c2)OCCO3)C1 ZINC000247225205 158123469 /nfs/dbraw/zinc/12/34/69/158123469.db2.gz XYJUZHAIFYSHKT-HUUCEWRRSA-N 2 0 304.434 2.840 20 0 DFADRP C[C@@H]1CCC[C@H](C)[C@H]1[NH2+]Cc1ccnc(N2CC[NH+](C)CC2)c1 ZINC000247196031 158123541 /nfs/dbraw/zinc/12/35/41/158123541.db2.gz WANKKLHFHIUMKJ-MNZLEMJZSA-N 2 0 316.493 2.748 20 0 DFADRP CCCCc1noc([C@H](C)N2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)n1 ZINC000247944560 158153791 /nfs/dbraw/zinc/15/37/91/158153791.db2.gz DKOPZVMUKWPUNI-KKUMJFAQSA-N 2 0 306.454 2.889 20 0 DFADRP CC[N@@H+]1CC[C@H](NC[C@H]2CCC[NH+]2Cc2ccccc2)[C@H](C)C1 ZINC000247987767 158154784 /nfs/dbraw/zinc/15/47/84/158154784.db2.gz IZTBVOJDZCALAA-RLLQIKCJSA-N 2 0 315.505 2.971 20 0 DFADRP COc1ccc([C@@H](C)[NH2+]CCCN2C[C@@H](C)O[C@@H](C)C2)c(F)c1 ZINC000248036649 158159018 /nfs/dbraw/zinc/15/90/18/158159018.db2.gz RSNDIXPTWCYGJK-QLFBSQMISA-N 2 0 324.440 2.984 20 0 DFADRP C[C@@H]([NH2+]C[C@@H](C)C[C@H](C)O)c1ccc(OCC[NH+](C)C)cc1 ZINC000248145990 158161556 /nfs/dbraw/zinc/16/15/56/158161556.db2.gz QEABYMIPAOKDKQ-HRCADAONSA-N 2 0 308.466 2.685 20 0 DFADRP C[C@H]1CCCC[N@@H+]1CCC1CC[NH+](C[C@@H](O)C(F)(F)F)CC1 ZINC000248389046 158170700 /nfs/dbraw/zinc/17/07/00/158170700.db2.gz FXSUCOZYZWFAEA-DZGCQCFKSA-N 2 0 322.415 2.886 20 0 DFADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H](C)[C@H]1CCC[NH+](C2CCC2)C1 ZINC000248409902 158173911 /nfs/dbraw/zinc/17/39/11/158173911.db2.gz XGZBCLCFBUMGGL-XYJFISCASA-N 2 0 321.509 2.630 20 0 DFADRP CC[C@@H]1CCC[C@@H](C[N@@H+]2CC[C@@H](N3CC[NH+](CC)CC3)C2)C1 ZINC000248443784 158176747 /nfs/dbraw/zinc/17/67/47/158176747.db2.gz BHMOUDWRJXTHCV-GUDVDZBRSA-N 2 0 307.526 2.915 20 0 DFADRP Cc1cnn(CC[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)c1 ZINC000248755793 158200725 /nfs/dbraw/zinc/20/07/25/158200725.db2.gz CPQVUAQAXFHDLX-ACDBMABISA-N 2 0 324.472 2.977 20 0 DFADRP C[C@H]([NH2+]C[C@@H](O)C[NH+]1CCCCC1)[C@@H]1C[C@H]1c1ccccc1 ZINC000283405293 158214331 /nfs/dbraw/zinc/21/43/31/158214331.db2.gz QPCOVHZSKJNPBB-NQYYFHDYSA-N 2 0 302.462 2.615 20 0 DFADRP C[N@H+](CCCN1CC[NH+](C)CC1)Cc1coc2ccccc12 ZINC000349331918 158227073 /nfs/dbraw/zinc/22/70/73/158227073.db2.gz MZUGZHHUBXFXBR-UHFFFAOYSA-N 2 0 301.434 2.502 20 0 DFADRP C[NH+](C)C1CCC([NH2+]C2CCN(c3ccccn3)CC2)CC1 ZINC000429983425 296765791 /nfs/dbraw/zinc/76/57/91/296765791.db2.gz VWMJJJJHWVUCNX-UHFFFAOYSA-N 2 0 302.466 2.513 20 0 DFADRP CCC[C@H]([NH2+]C(C)C)C(=O)NCc1ccc(CC[NH+](C)C)cc1 ZINC000356865225 158316266 /nfs/dbraw/zinc/31/62/66/158316266.db2.gz IWBWWBWWSXOJQV-SFHVURJKSA-N 2 0 319.493 2.574 20 0 DFADRP CC(C)N(C)c1ccc(C[NH+]2CCC([C@H]3CC[NH2+]C3)CC2)cn1 ZINC000357068219 158360700 /nfs/dbraw/zinc/36/07/00/158360700.db2.gz DMDVAUMIEUOCOQ-SFHVURJKSA-N 2 0 316.493 2.748 20 0 DFADRP Cc1noc(CCCN2CCC[C@H](C[NH+]3CCCCCC3)C2)n1 ZINC000357701700 158365730 /nfs/dbraw/zinc/36/57/30/158365730.db2.gz CBMUGZWICXHOEA-QGZVFWFLSA-N 2 0 320.481 2.899 20 0 DFADRP c1ccc(CCOCCC[N@@H+]2CCC3(C2)CC[NH2+]CC3)cc1 ZINC000358513964 158384682 /nfs/dbraw/zinc/38/46/82/158384682.db2.gz WXSZENDPOQPRBH-UHFFFAOYSA-N 2 0 302.462 2.711 20 0 DFADRP C[C@H]([NH2+][C@@H]1CCO[C@@H]1C1CC1)c1ccc(OCC[NH+](C)C)cc1 ZINC000374497741 158775934 /nfs/dbraw/zinc/77/59/34/158775934.db2.gz RUFATZVCNMPUNC-GDIGMMSISA-N 2 0 318.461 2.845 20 0 DFADRP CC[C@@H](C(=O)N[C@H](C[NH+](C)C)c1ccccc1)[NH+](CC)CC ZINC000274166421 286745292 /nfs/dbraw/zinc/74/52/92/286745292.db2.gz NACHQDDISFEPJA-SJORKVTESA-N 2 0 305.466 2.526 20 0 DFADRP Cc1ccc(F)cc1NC(=O)[C@H](C)[NH+]1CCC([C@H](C)[NH3+])CC1 ZINC000430937061 296813561 /nfs/dbraw/zinc/81/35/61/296813561.db2.gz YVORIZQAJODVEZ-STQMWFEESA-N 2 0 307.413 2.520 20 0 DFADRP CC(C)[C@@H](NC(=O)C[NH+]1CCC([C@H](C)[NH3+])CC1)c1ccccc1 ZINC000430962739 296815808 /nfs/dbraw/zinc/81/58/08/296815808.db2.gz RCXVFINVLWXCCG-HNAYVOBHSA-N 2 0 317.477 2.559 20 0 DFADRP Cc1ccc(NC(=O)[C@H](C)[NH+]2CCC3(CC[NH2+]C3)CC2)cc1F ZINC000431017106 296818029 /nfs/dbraw/zinc/81/80/29/296818029.db2.gz MRRIEWVIGJJFJH-AWEZNQCLSA-N 2 0 319.424 2.537 20 0 DFADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1[NH2+]Cc1cccc(Cn2cccn2)c1 ZINC000129424776 196047674 /nfs/dbraw/zinc/04/76/74/196047674.db2.gz WUEOXTLZICTLSJ-JTDSTZFVSA-N 2 0 312.461 2.750 20 0 DFADRP C[C@H](CNC1CC[NH+](CCc2ccccc2)CC1)[N@H+](C)C1CC1 ZINC000130849202 196115654 /nfs/dbraw/zinc/11/56/54/196115654.db2.gz JGQPMSNOCXHGNP-QGZVFWFLSA-N 2 0 315.505 2.766 20 0 DFADRP CC[N@H+](CC(=O)Nc1ccc(CC[NH+]2CCCC2)cc1)C1CC1 ZINC000131475124 196172267 /nfs/dbraw/zinc/17/22/67/196172267.db2.gz AVPQGFPKRSXXEY-UHFFFAOYSA-N 2 0 315.461 2.748 20 0 DFADRP C[NH+](C)C1CCN(CC[NH2+][C@@H]2CC[C@@H](c3ccccc3)C2)CC1 ZINC000131988184 196216193 /nfs/dbraw/zinc/21/61/93/196216193.db2.gz LXKXJOHYKFFYIR-RTBURBONSA-N 2 0 315.505 2.938 20 0 DFADRP COc1ccccc1[C@@H](C)[NH2+]C[C@@H](C(C)C)N1CC[NH+](C)CC1 ZINC000132340954 196247213 /nfs/dbraw/zinc/24/72/13/196247213.db2.gz PAPDFMRDDBQSQA-AEFFLSMTSA-N 2 0 319.493 2.618 20 0 DFADRP CC(C)[C@H](C[NH2+][C@@H]1CCCc2ccccc21)N1CC[NH+](C)CC1 ZINC000132346703 196248125 /nfs/dbraw/zinc/24/81/25/196248125.db2.gz VLWICMHZODOEDK-UXHICEINSA-N 2 0 315.505 2.926 20 0 DFADRP CCC[C@H](C(=O)N1CCC[C@H](C[NH+]2CCCCCC2)C1)[NH+](C)C ZINC000133863797 196341408 /nfs/dbraw/zinc/34/14/08/196341408.db2.gz OWOJNKIPFRDCRE-QZTJIDSGSA-N 2 0 323.525 2.831 20 0 DFADRP COCC[N@H+](Cc1ccnn1-c1cc[nH+]cc1)C1CCCC1 ZINC000667518755 543621493 /nfs/dbraw/zinc/62/14/93/543621493.db2.gz AMUUHZYUEBFGTA-UHFFFAOYSA-N 2 0 300.406 2.658 20 0 DFADRP C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(Cc2cnn3c2CCC3)C1 ZINC000667561236 543631148 /nfs/dbraw/zinc/63/11/48/543631148.db2.gz PRVFFXBSNCBFRL-DLBZAZTESA-N 2 0 316.493 2.916 20 0 DFADRP COc1ccccc1CC[N@H+](C)Cc1ccnn1-c1cc[nH+]cc1 ZINC000667599963 543639114 /nfs/dbraw/zinc/63/91/14/543639114.db2.gz GKVZUIHWEXSYGD-UHFFFAOYSA-N 2 0 322.412 2.950 20 0 DFADRP C[NH+](C)CCOc1ccc(CC[NH2+][C@@H]2CCC[C@@H]3C[C@@H]32)cc1 ZINC000667847708 543691531 /nfs/dbraw/zinc/69/15/31/543691531.db2.gz UBIIQZXPIINDDF-NZSAHSFTSA-N 2 0 302.462 2.948 20 0 DFADRP C[N@H+](CCC1CCOCC1)Cc1ccnn1-c1cc[nH+]cc1 ZINC000667660168 543652866 /nfs/dbraw/zinc/65/28/66/543652866.db2.gz BENYRYIYXSGRKU-UHFFFAOYSA-N 2 0 300.406 2.516 20 0 DFADRP CO[C@@]1(C)C[C@H]([N@H+](C)Cc2ccnn2-c2cc[nH+]cc2)C1(C)C ZINC000667690750 543660817 /nfs/dbraw/zinc/66/08/17/543660817.db2.gz HKJHURIDQJXBAF-WMZOPIPTSA-N 2 0 314.433 2.903 20 0 DFADRP CC[C@H]1CCCC[N@@H+]1CCNC(=O)Nc1cccc(C[NH3+])c1 ZINC000667728618 543667753 /nfs/dbraw/zinc/66/77/53/543667753.db2.gz XROIYRBEUGFDKP-INIZCTEOSA-N 2 0 304.438 2.531 20 0 DFADRP CCC(CC)[C@@H](CNC(=O)Nc1cccc(C[NH3+])c1)[NH+](C)C ZINC000667727790 543667826 /nfs/dbraw/zinc/66/78/26/543667826.db2.gz JMSQTUJFAGTUJN-MRXNPFEDSA-N 2 0 306.454 2.633 20 0 DFADRP C[N@H+](CCNC(=O)Nc1cccc(C[NH3+])c1)C1CCCCC1 ZINC000667736875 543670670 /nfs/dbraw/zinc/67/06/70/543670670.db2.gz VPZCKYJBFNKWDK-UHFFFAOYSA-N 2 0 304.438 2.531 20 0 DFADRP C[NH+]1CCN(C[C@@H]([NH2+][C@@H]2CCCC23CC3)c2ccccc2)CC1 ZINC000667756259 543673098 /nfs/dbraw/zinc/67/30/98/543673098.db2.gz PQYGOBAAKFSAAC-RTBURBONSA-N 2 0 313.489 2.897 20 0 DFADRP CC[NH2+]Cc1cccc(NC(=O)N[C@@H](C)C2CC[NH+](C)CC2)c1 ZINC000667768073 543675495 /nfs/dbraw/zinc/67/54/95/543675495.db2.gz ZBHMUKCEMVDBLK-AWEZNQCLSA-N 2 0 318.465 2.648 20 0 DFADRP c1cc(C[NH+]2CCCC2)ccc1C[NH2+][C@H]1CO[C@@H](C2CC2)C1 ZINC000667769851 543676078 /nfs/dbraw/zinc/67/60/78/543676078.db2.gz HVJUQXGWOXIKGY-RTBURBONSA-N 2 0 300.446 2.940 20 0 DFADRP Cc1c(Br)cncc1CN(C)C[C@H]1CC[N@H+](C)C1 ZINC000668020212 543724629 /nfs/dbraw/zinc/72/46/29/543724629.db2.gz HCTKEXBSBOXLNI-LBPRGKRZSA-N 2 0 312.255 2.536 20 0 DFADRP COCC[N@H+](Cc1ccnn1-c1cc[nH+]cc1)[C@H]1CC[C@H](C)C1 ZINC000668055997 543731159 /nfs/dbraw/zinc/73/11/59/543731159.db2.gz PXASLVTZNVWJQU-RDJZCZTQSA-N 2 0 314.433 2.904 20 0 DFADRP c1cc(C[NH2+][C@H]2CO[C@@H](C3CC3)C2)cc(C[NH+]2CCCC2)c1 ZINC000667927823 543704975 /nfs/dbraw/zinc/70/49/75/543704975.db2.gz GTQXPRLANQJVCG-RTBURBONSA-N 2 0 300.446 2.940 20 0 DFADRP CO[C@@H]1C[C@H]([N@H+](C)Cc2ccnn2-c2cc[nH+]cc2)C12CCC2 ZINC000668225023 543771670 /nfs/dbraw/zinc/77/16/70/543771670.db2.gz CFZRGSCTYUZRLS-DLBZAZTESA-N 2 0 312.417 2.657 20 0 DFADRP CC(C)(C)N1CC[C@H]([NH2+]C2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000668459623 543809715 /nfs/dbraw/zinc/80/97/15/543809715.db2.gz WWPDPNBUVUIMDX-INIZCTEOSA-N 2 0 302.466 2.513 20 0 DFADRP C[C@@H](CN(C)CCC[NH+](C)C)[NH2+][C@H]1CS[C@H](C(C)(C)C)C1 ZINC000668474651 543812229 /nfs/dbraw/zinc/81/22/29/543812229.db2.gz DLGKLKHLWGHLHV-XHSDSOJGSA-N 2 0 315.571 2.768 20 0 DFADRP C[C@@H](CN(C)CCC[NH+](C)C)[NH2+]CCc1ccc(Cl)cc1 ZINC000668476011 543812246 /nfs/dbraw/zinc/81/22/46/543812246.db2.gz UZJGOCPMSCQELQ-HNNXBMFYSA-N 2 0 311.901 2.744 20 0 DFADRP C[NH+](C)CCC[C@H]1C[N@H+](Cc2cccc3cnccc32)CCO1 ZINC000668784266 543866895 /nfs/dbraw/zinc/86/68/95/543866895.db2.gz AFLLNQYQFXSHIS-SFHVURJKSA-N 2 0 313.445 2.777 20 0 DFADRP C[NH+](C)CCC[C@H]1C[N@H+](C[C@H]2CCOc3ccccc32)CCO1 ZINC000668785459 543867380 /nfs/dbraw/zinc/86/73/80/543867380.db2.gz QMSDEICAMASAMX-SJORKVTESA-N 2 0 318.461 2.595 20 0 DFADRP Cc1ccccc1[C@@H]([NH3+])C(=O)NCCCC[N@H+]1CCC[C@@H](C)C1 ZINC000296570244 226003261 /nfs/dbraw/zinc/00/32/61/226003261.db2.gz VZFHKZHNCOIIMP-CRAIPNDOSA-N 2 0 317.477 2.623 20 0 DFADRP OC[C@]1([NH2+][C@@H]2CCC23CCC3)CCCN(Cc2ccccc2)C1 ZINC000669702504 543985905 /nfs/dbraw/zinc/98/59/05/543985905.db2.gz HJCACOGLJFEGDP-QUCCMNQESA-N 2 0 314.473 2.936 20 0 DFADRP COc1ccc([C@@H](CN(C)C)[NH2+][C@H](C)C2CC[NH+](C)CC2)cc1 ZINC000671304337 544066179 /nfs/dbraw/zinc/06/61/79/544066179.db2.gz IXKDJHOZGSEUHE-DNVCBOLYSA-N 2 0 319.493 2.618 20 0 DFADRP CC(C)[C@H]1CC[C@@H]1[NH2+]Cc1ccc(CN2CC[NH+](C)CC2)cc1 ZINC000671742061 544105293 /nfs/dbraw/zinc/10/52/93/544105293.db2.gz WTENCXZTZVTJDU-UXHICEINSA-N 2 0 315.505 2.958 20 0 DFADRP CC[NH+]1CCC(C[NH2+][C@@H](C)c2ccc3[nH]c(=O)oc3c2)CC1 ZINC000671746676 544105978 /nfs/dbraw/zinc/10/59/78/544105978.db2.gz UGHDUZMOXSKVRC-LBPRGKRZSA-N 2 0 303.406 2.916 20 0 DFADRP COc1nc(C)cc(C)c1C[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@H]21 ZINC000671745717 544106040 /nfs/dbraw/zinc/10/60/40/544106040.db2.gz RUZCHVQOFBCMIF-UAGQMJEPSA-N 2 0 303.450 2.669 20 0 DFADRP Cc1ccnc(N[C@H]2CCc3nccn3C2)c1Br ZINC000672194256 544128312 /nfs/dbraw/zinc/12/83/12/544128312.db2.gz JSCVIEXNIMDUNY-JTQLQIEISA-N 2 0 307.195 2.776 20 0 DFADRP COC(=O)CCC[NH+]1CCC(Nc2cc(C)cc(C)[nH+]2)CC1 ZINC000291262175 222267736 /nfs/dbraw/zinc/26/77/36/222267736.db2.gz SJAXMTBEPOVIRE-UHFFFAOYSA-N 2 0 305.422 2.528 20 0 DFADRP C[C@@H](C[NH2+]Cc1ccc(OCC[NH+](C)C)cc1)c1ccncc1 ZINC000674070065 544217360 /nfs/dbraw/zinc/21/73/60/544217360.db2.gz LXUYKNTYRPYZJN-INIZCTEOSA-N 2 0 313.445 2.915 20 0 DFADRP CC[C@@H]1C[N@@H+]2CCCC[C@H]2CN1C(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC000674351993 544234129 /nfs/dbraw/zinc/23/41/29/544234129.db2.gz GDDVCWWTNQCAME-KURKYZTESA-N 2 0 321.509 2.726 20 0 DFADRP C[C@@H]([NH2+]CCN1c2ccccc2C[C@H]1C)C1CC[NH+](C)CC1 ZINC000675781615 544335735 /nfs/dbraw/zinc/33/57/35/544335735.db2.gz QVMOVRRBEXNEJK-HZPDHXFCSA-N 2 0 301.478 2.758 20 0 DFADRP C[C@@H]([NH2+]CCN1CCCc2ccccc21)C1CC[NH+](C)CC1 ZINC000675783302 544336131 /nfs/dbraw/zinc/33/61/31/544336131.db2.gz FYDSNTSGRKTKCX-MRXNPFEDSA-N 2 0 301.478 2.759 20 0 DFADRP C[C@H]([NH2+]CC(C)(C)N1CC[NH+](C)CC1)c1cc2c(s1)CCC2 ZINC000675741848 544332815 /nfs/dbraw/zinc/33/28/15/544332815.db2.gz INPRZWMJEDPTQB-AWEZNQCLSA-N 2 0 321.534 2.913 20 0 DFADRP C[C@@H]([NH2+]Cc1ccc(N2CCCCC2)nc1)C1CC[NH+](C)CC1 ZINC000675751436 544333575 /nfs/dbraw/zinc/33/35/75/544333575.db2.gz IBOALXHOAIODDF-MRXNPFEDSA-N 2 0 316.493 2.892 20 0 DFADRP C[C@@H]([NH2+][C@H](CC(=O)N(C)C)c1ccccc1)C1CC[NH+](C)CC1 ZINC000675770034 544334955 /nfs/dbraw/zinc/33/49/55/544334955.db2.gz PCAOHBRRVONUDA-CRAIPNDOSA-N 2 0 317.477 2.526 20 0 DFADRP C[NH+]1CCC(N2CC[C@H]([NH2+][C@@H]3CCc4c3cccc4F)C2)CC1 ZINC000675871521 544341132 /nfs/dbraw/zinc/34/11/32/544341132.db2.gz FLSZNBCIFXBRQZ-IFXJQAMLSA-N 2 0 317.452 2.571 20 0 DFADRP C[C@@H](CCc1ccsc1)[NH2+]CCN1CC[N@H+](C)C(C)(C)C1 ZINC000442871755 297208896 /nfs/dbraw/zinc/20/88/96/297208896.db2.gz GNZVGTKZRGJLGD-HNNXBMFYSA-N 2 0 309.523 2.685 20 0 DFADRP C[C@@H]1CN(C2CC2)C[C@@H]1[NH2+][C@@H](Cn1cccn1)c1ccccc1 ZINC000675899412 544342871 /nfs/dbraw/zinc/34/28/71/544342871.db2.gz GPEUPAWBRAYGQO-MNEFBYGVSA-N 2 0 310.445 2.697 20 0 DFADRP CC[N@@H+]1CC[C@@H]([NH2+]CCc2cn3cccc(C)c3n2)[C@@H](C)C1 ZINC000675925266 544344586 /nfs/dbraw/zinc/34/45/86/544344586.db2.gz JUYKEHDKWOTFMP-DOTOQJQBSA-N 2 0 300.450 2.505 20 0 DFADRP CC[NH+]1CCN(CCCC[NH2+][C@H](C)c2nc(C)sc2C)CC1 ZINC000676490679 544379362 /nfs/dbraw/zinc/37/93/62/544379362.db2.gz RCMJRMCVHBUKOH-CQSZACIVSA-N 2 0 324.538 2.828 20 0 DFADRP C[C@@H]1C[C@H](CC[NH2+]Cc2ccn(C)n2)C[N@@H+]1Cc1ccccc1 ZINC000677129232 544437991 /nfs/dbraw/zinc/43/79/91/544437991.db2.gz OMJTVSLJHOZJQN-AEFFLSMTSA-N 2 0 312.461 2.810 20 0 DFADRP C[C@H](CC[NH+](C)C)N[C@@H]1C[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC000677804307 544543155 /nfs/dbraw/zinc/54/31/55/544543155.db2.gz FBHQKDFGUGHOAP-AEFFLSMTSA-N 2 0 303.494 2.969 20 0 DFADRP CCC[C@H]([NH2+]CC(C)(C)N1CC[NH+](C)CC1)c1ccccn1 ZINC000678029029 544585013 /nfs/dbraw/zinc/58/50/13/544585013.db2.gz DCOZULXCKDYKHX-INIZCTEOSA-N 2 0 304.482 2.538 20 0 DFADRP C[C@H](CO)C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000678044270 544587024 /nfs/dbraw/zinc/58/70/24/544587024.db2.gz NVABFELHZMEBIU-YTQUADARSA-N 2 0 302.462 2.601 20 0 DFADRP C[NH+]1CCC(N2CC[C@H]([NH2+]C[C@H]3C[C@@H]3c3ccccc3)C2)CC1 ZINC000678074873 544594864 /nfs/dbraw/zinc/59/48/64/544594864.db2.gz UAJVCSAMOWHPOQ-WSTZPKSXSA-N 2 0 313.489 2.548 20 0 DFADRP Cc1cc(C)c(C[NH+]2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)cc1C ZINC000678258187 544634571 /nfs/dbraw/zinc/63/45/71/544634571.db2.gz WPKGTGLWDCZLCT-HXUWFJFHSA-N 2 0 315.505 2.824 20 0 DFADRP C[NH+](C)CCOc1ccc(C[N@@H+]2CCO[C@@H]3CCCC[C@H]32)cc1 ZINC000678182648 544616776 /nfs/dbraw/zinc/61/67/76/544616776.db2.gz ZXFHMWXUQVLZJH-RTBURBONSA-N 2 0 318.461 2.770 20 0 DFADRP C[C@@H]1C[N@H+](Cc2ccc(OCC[NH+](C)C)cc2)CC(C)(C)O1 ZINC000678213737 544620859 /nfs/dbraw/zinc/62/08/59/544620859.db2.gz DVUSQNPEHVOSIY-OAHLLOKOSA-N 2 0 306.450 2.626 20 0 DFADRP Cc1ccc([C@@H](C)[NH2+]C[C@@H](C(C)C)N2CC[NH+](C)CC2)c(C)n1 ZINC000678412046 544669065 /nfs/dbraw/zinc/66/90/65/544669065.db2.gz RTXOKYFXMMFIOG-APWZRJJASA-N 2 0 318.509 2.621 20 0 DFADRP COC[C@@H]1CC[N@H+](Cc2ccc(OCC[NH+]3CCCC3)cc2)C1 ZINC000678261034 544636443 /nfs/dbraw/zinc/63/64/43/544636443.db2.gz SABXMKAHUSBPKW-GOSISDBHSA-N 2 0 318.461 2.630 20 0 DFADRP Cc1noc(C2CCC([NH2+][C@@H](C)C3CC[NH+](C)CC3)CC2)n1 ZINC000678596464 544699222 /nfs/dbraw/zinc/69/92/22/544699222.db2.gz VGSCEFZGPUMVEO-JQRITLKVSA-N 2 0 306.454 2.724 20 0 DFADRP CO[C@H]1CCC[C@H]1C[NH2+]Cc1ccc(OCC[NH+](C)C)cc1 ZINC000678733790 544714584 /nfs/dbraw/zinc/71/45/84/544714584.db2.gz QNSXPOYRQPIXRI-WMZOPIPTSA-N 2 0 306.450 2.532 20 0 DFADRP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@@H]1c2ccccc2CC[C@@H]1C ZINC000678769416 544717858 /nfs/dbraw/zinc/71/78/58/544717858.db2.gz URCRCKOCLVKXDY-FCEWJHQRSA-N 2 0 301.478 2.536 20 0 DFADRP CCc1nc2ccccc2n1CC[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000679023746 544770048 /nfs/dbraw/zinc/77/00/48/544770048.db2.gz WLEIWOCENKTBFT-HUUCEWRRSA-N 2 0 300.450 2.671 20 0 DFADRP C[C@@H]1C[C@@H](Nc2cccc(C[NH+]3CCC(O)CC3)c2)CC[N@@H+]1C ZINC000679053039 544775193 /nfs/dbraw/zinc/77/51/93/544775193.db2.gz XPZBIWLJSQHXKX-QAPCUYQASA-N 2 0 317.477 2.538 20 0 DFADRP C[C@H]1C[C@H](Nc2cccc(C[NH+]3CCC(O)CC3)c2)CC[N@@H+]1C ZINC000679053037 544775342 /nfs/dbraw/zinc/77/53/42/544775342.db2.gz XPZBIWLJSQHXKX-MAUKXSAKSA-N 2 0 317.477 2.538 20 0 DFADRP CC[N@@H+]1C[C@H](C)[C@H](NC2CC[NH+]([C@H]3CCC[C@H](C)C3)CC2)C1 ZINC000679076092 544780185 /nfs/dbraw/zinc/78/01/85/544780185.db2.gz QNOUFIPPVSCPKY-PBWTXFEYSA-N 2 0 307.526 2.959 20 0 DFADRP CC[NH+]1CCN([C@H](C)C[NH2+][C@H](CC(C)C)c2ccccn2)CC1 ZINC000155573902 425920782 /nfs/dbraw/zinc/92/07/82/425920782.db2.gz JBFLWYXOXLOCSU-IEBWSBKVSA-N 2 0 318.509 2.784 20 0 DFADRP Cc1ccccc1[C@H](C)[NH2+]CC1CC[NH+](CCN(C)C)CC1 ZINC000124485019 425922644 /nfs/dbraw/zinc/92/26/44/425922644.db2.gz CHSODLUZZSYFOI-KRWDZBQOSA-N 2 0 303.494 2.919 20 0 DFADRP Cc1cccc([C@@H](C)[NH2+]CC2CC[NH+](CCN(C)C)CC2)c1 ZINC000124528407 425924336 /nfs/dbraw/zinc/92/43/36/425924336.db2.gz NOMUOGBCUPKKBE-QGZVFWFLSA-N 2 0 303.494 2.919 20 0 DFADRP CC[C@@H]([NH2+]C[C@H](C)N1CC[NH+](CC)CC1)c1ccccc1OC ZINC000155723230 425924812 /nfs/dbraw/zinc/92/48/12/425924812.db2.gz NIVGDDMGGDCQRI-FUHWJXTLSA-N 2 0 319.493 2.762 20 0 DFADRP CC[NH+]1CCN([C@@H](C)C[NH2+][C@H]2CCc3cc(Cl)ccc32)CC1 ZINC000155721172 425925151 /nfs/dbraw/zinc/92/51/51/425925151.db2.gz VUNADISEZLBGIO-KSSFIOAISA-N 2 0 321.896 2.943 20 0 DFADRP CC(C)[C@@H](C(=O)NCC[C@H](C)[N@H+](C)Cc1ccccc1)[NH+](C)C ZINC000155777557 425926448 /nfs/dbraw/zinc/92/64/48/425926448.db2.gz UFNXXUIIVLTWDU-WMZOPIPTSA-N 2 0 319.493 2.599 20 0 DFADRP Cc1nc2ccccc2n1CCC[NH2+][C@@H]1CC[N@@H+](C)C[C@@H]1C ZINC000155870217 425928623 /nfs/dbraw/zinc/92/86/23/425928623.db2.gz NWEKVRZABXKYLZ-GOEBONIOSA-N 2 0 300.450 2.665 20 0 DFADRP CC[NH+](CC)Cc1ccc(C(=O)NC[C@H](CC(C)C)[NH+](C)C)o1 ZINC000042586386 425853493 /nfs/dbraw/zinc/85/34/93/425853493.db2.gz VDDUVWAPPWWYNJ-HNNXBMFYSA-N 2 0 323.481 2.828 20 0 DFADRP CCO[C@@H](CC[NH+](C)C)C[NH2+][C@H](C)c1cnn(C(C)C)c1C ZINC000191333977 267996636 /nfs/dbraw/zinc/99/66/36/267996636.db2.gz OJZOMVLAVPGYQB-ZBFHGGJFSA-N 2 0 310.486 2.780 20 0 DFADRP COC(=O)C1CCC([NH2+]CCCCC[NH+]2CCCCC2)CC1 ZINC000192442497 268036948 /nfs/dbraw/zinc/03/69/48/268036948.db2.gz XVVWJRHGXLDGTH-UHFFFAOYSA-N 2 0 310.482 2.964 20 0 DFADRP CN(C)CC[NH+]1CCC(C[NH2+][C@@H]2CCCc3occc32)CC1 ZINC000192829304 268050070 /nfs/dbraw/zinc/05/00/70/268050070.db2.gz RXISFJWMYNUJBR-QGZVFWFLSA-N 2 0 305.466 2.520 20 0 DFADRP CCCN(CC[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1)C(=O)OC(C)(C)C ZINC000222408739 268141374 /nfs/dbraw/zinc/14/13/74/268141374.db2.gz JCVVCPPRYMBUSH-GJZGRUSLSA-N 2 0 313.486 2.706 20 0 DFADRP CCCC[N@H+](CC)Cc1cccc(CNC(=O)C(C)(C)C[NH3+])c1 ZINC000236726547 268149231 /nfs/dbraw/zinc/14/92/31/268149231.db2.gz LARKHWFNHBHKTK-UHFFFAOYSA-N 2 0 319.493 2.910 20 0 DFADRP CC[NH+]1CCC(CCNC(=O)CC[C@H]([NH3+])c2ccccc2)CC1 ZINC000236851048 268151279 /nfs/dbraw/zinc/15/12/79/268151279.db2.gz IBQSAZJYXUSKSH-SFHVURJKSA-N 2 0 317.477 2.705 20 0 DFADRP C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)C(C)(C)C[NH3+])cc1 ZINC000237683817 268158969 /nfs/dbraw/zinc/15/89/69/268158969.db2.gz DSVUUIFSSGWBLM-OAHLLOKOSA-N 2 0 317.477 2.662 20 0 DFADRP O[C@@H]1CCC[C@@H]1[NH+]1CCC([NH2+][C@H]2CCc3c2cccc3F)CC1 ZINC000271447710 268249433 /nfs/dbraw/zinc/24/94/33/268249433.db2.gz DDIFXZJTZPVZDY-GBESFXJTSA-N 2 0 318.436 2.780 20 0 DFADRP C[C@H]([NH2+][C@H](CO)CC1CCC1)c1ccc(OCC[NH+](C)C)cc1 ZINC000280939842 268270349 /nfs/dbraw/zinc/27/03/49/268270349.db2.gz ISJYUGDBFLQYQW-YJBOKZPZSA-N 2 0 320.477 2.829 20 0 DFADRP CCN1CCCC[C@@H]1C[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000298557526 268315262 /nfs/dbraw/zinc/31/52/62/268315262.db2.gz VMJVOQZRJVKRAY-GOSISDBHSA-N 2 0 302.466 2.514 20 0 DFADRP CCN(CCC[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1)C(=O)OC(C)(C)C ZINC000300201184 268320959 /nfs/dbraw/zinc/32/09/59/268320959.db2.gz PESMTACBVNMYJK-HUUCEWRRSA-N 2 0 313.486 2.706 20 0 DFADRP CC[N@@H+]1CC[C@H](C[NH2+][C@H](C)CCCNC(=O)OC(C)(C)C)C1 ZINC000309976209 268336840 /nfs/dbraw/zinc/33/68/40/268336840.db2.gz RGTPIFVWAXCUBD-HUUCEWRRSA-N 2 0 313.486 2.611 20 0 DFADRP Cc1cc(C[NH2+]CCc2cn(C)cn2)ccc1Br ZINC000313293336 268339461 /nfs/dbraw/zinc/33/94/61/268339461.db2.gz IMXGJIPFUITGFL-UHFFFAOYSA-N 2 0 308.223 2.823 20 0 DFADRP Cn1cnc(CC[NH2+]Cc2csc(Br)c2)c1 ZINC000313288566 268339741 /nfs/dbraw/zinc/33/97/41/268339741.db2.gz ZANRPZCYWKSUFO-UHFFFAOYSA-N 2 0 300.225 2.576 20 0 DFADRP C[C@@H](Cc1ccc(Br)cc1)[NH2+]CCc1cn(C)cn1 ZINC000313268137 268339923 /nfs/dbraw/zinc/33/99/23/268339923.db2.gz VCMTYFFUPJGBEP-LBPRGKRZSA-N 2 0 322.250 2.946 20 0 DFADRP CCOC(=O)N1CCC([NH2+][C@@H](C)C[C@H]2CCCCC[NH2+]2)CC1 ZINC000316478621 268344443 /nfs/dbraw/zinc/34/44/43/268344443.db2.gz ZARPMXUVIYIQJQ-GOEBONIOSA-N 2 0 311.470 2.508 20 0 DFADRP CC1(C)Cc2cccc(C[N@H+]3CC[C@H]4C[NH2+]C[C@H]4CC3)c2O1 ZINC000319317078 268346403 /nfs/dbraw/zinc/34/64/03/268346403.db2.gz YVQQWRSYNTUAEW-IYBDPMFKSA-N 2 0 300.446 2.832 20 0 DFADRP C[C@H](CCc1ccc2c(c1)OCO2)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000322891699 268349790 /nfs/dbraw/zinc/34/97/90/268349790.db2.gz FCCYILXOJKGYLF-HZTRTUMWSA-N 2 0 316.445 2.951 20 0 DFADRP CCc1noc(C2CCC([NH2+][C@H]3CCCC[C@@H]3C[NH3+])CC2)n1 ZINC000333145258 268377976 /nfs/dbraw/zinc/37/79/76/268377976.db2.gz LRJLYJHDIDQQFX-JYVUQVBGSA-N 2 0 306.454 2.765 20 0 DFADRP CC(C)CNC(=O)[C@H](C)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000103229621 425939059 /nfs/dbraw/zinc/93/90/59/425939059.db2.gz JFTUKSBAVYISGJ-ZWKOTPCHSA-N 2 0 323.525 2.735 20 0 DFADRP COc1ccc([C@@H](C)[NH2+]C[C@H](C)C[NH3+])cc1Br ZINC000336699243 268433071 /nfs/dbraw/zinc/43/30/71/268433071.db2.gz JJBBYDTZYUYSRT-NXEZZACHSA-N 2 0 301.228 2.703 20 0 DFADRP CC(C)(C)OC(=O)CC[N@@H+]1CC[C@H](CNc2ccccn2)C1 ZINC000103473588 425949211 /nfs/dbraw/zinc/94/92/11/425949211.db2.gz NTSPVLREEVSNEN-CQSZACIVSA-N 2 0 305.422 2.547 20 0 DFADRP C[C@H]1CCCC[N@@H+]1CCC1CC[NH+](Cc2cncn2C)CC1 ZINC000158883904 425949596 /nfs/dbraw/zinc/94/95/96/425949596.db2.gz TXLWWDHGRXKQFP-INIZCTEOSA-N 2 0 304.482 2.897 20 0 DFADRP CC[N@@H+]1CC[C@H](N[C@@H](C)[C@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC000336896262 268450972 /nfs/dbraw/zinc/45/09/72/268450972.db2.gz NULOFTDVTDMVAH-WDSOQIARSA-N 2 0 301.478 2.581 20 0 DFADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]CCCOCCc1ccccc1 ZINC000125306271 425964436 /nfs/dbraw/zinc/96/44/36/425964436.db2.gz UKFZDGOKTFZOEC-LMMKCTJWSA-N 2 0 304.478 2.954 20 0 DFADRP CC[NH+](CC)[C@@H](C(=O)NCC(C)(C)C[NH+](C)C)c1ccccc1 ZINC000104823620 425965212 /nfs/dbraw/zinc/96/52/12/425965212.db2.gz PXQRKEUAUMGDOH-QGZVFWFLSA-N 2 0 319.493 2.774 20 0 DFADRP Cc1csc(N2CCC([NH2+]CCC3CC[NH+](C)CC3)CC2)n1 ZINC000125313801 425965785 /nfs/dbraw/zinc/96/57/85/425965785.db2.gz JSNARJFKMOXQLF-UHFFFAOYSA-N 2 0 322.522 2.742 20 0 DFADRP CC(C)Oc1ccc([C@@H](O)C[NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)cc1 ZINC000125366421 425968558 /nfs/dbraw/zinc/96/85/58/425968558.db2.gz FATWSBOYLLBNSH-HFTRVMKXSA-N 2 0 306.450 2.580 20 0 DFADRP [NH3+]CC[C@H]1CCC[N@H+](Cc2cc(Cl)c3c(c2)OCCO3)C1 ZINC000070170770 425969003 /nfs/dbraw/zinc/96/90/03/425969003.db2.gz QQUIZBHUSVFKFK-GFCCVEGCSA-N 2 0 310.825 2.672 20 0 DFADRP [NH3+]CC[C@H]1CCCC[N@@H+]1CCC(=O)Nc1cccc(Cl)c1 ZINC000070149955 425969160 /nfs/dbraw/zinc/96/91/60/425969160.db2.gz HVMZLJOPKCNXQH-OAHLLOKOSA-N 2 0 309.841 2.872 20 0 DFADRP C[C@@H]1C[C@H](N[C@@H]2CC[NH+]3CCC[C@@H]3C2)C[N@@H+]1Cc1ccccc1 ZINC000161593330 426030819 /nfs/dbraw/zinc/03/08/19/426030819.db2.gz XGRHAFKBAZGUTK-RSPOEFSDSA-N 2 0 313.489 2.866 20 0 DFADRP CC[C@H](C)[C@@H](C)[NH2+]Cc1ccc(CN2CC[NH+](C)CC2)cc1 ZINC000126654710 426030997 /nfs/dbraw/zinc/03/09/97/426030997.db2.gz FVRGPQHLKHCLSC-DLBZAZTESA-N 2 0 303.494 2.958 20 0 DFADRP CCC[C@@H](C(=O)NCC[C@H](C)[N@H+](C)Cc1ccccc1)[NH+](C)C ZINC000126863272 426039643 /nfs/dbraw/zinc/03/96/43/426039643.db2.gz XZNVIYLWOIYTDO-WMZOPIPTSA-N 2 0 319.493 2.744 20 0 DFADRP Cc1nccn1CCCC[N@@H+]1CCCN(CC(F)(F)F)CC1 ZINC000161964989 426047617 /nfs/dbraw/zinc/04/76/17/426047617.db2.gz UYOZBLNPBRHWFL-UHFFFAOYSA-N 2 0 318.387 2.542 20 0 DFADRP CCC[C@@H]([NH2+]CCCN1CC[NH+](C)CC1)c1ccc(OC)cc1 ZINC000162491601 426066470 /nfs/dbraw/zinc/06/64/70/426066470.db2.gz PPTGZFDMCDOWQZ-LJQANCHMSA-N 2 0 319.493 2.764 20 0 DFADRP CC(C)[C@@H](C(=O)Nc1ccc(CC[NH+]2CCCC2)cc1)[NH+](C)C ZINC000108450524 426017096 /nfs/dbraw/zinc/01/70/96/426017096.db2.gz IVOYEJIKBPJILP-SFHVURJKSA-N 2 0 317.477 2.850 20 0 DFADRP COc1cccc([C@H](C)[N@H+](C)CCN(C)C2CC[NH+](C)CC2)c1 ZINC000126468952 426020309 /nfs/dbraw/zinc/02/03/09/426020309.db2.gz PGWVRBZEQNNHRF-INIZCTEOSA-N 2 0 319.493 2.714 20 0 DFADRP Cc1cc([C@H](C)[NH2+]C[C@@H](C)N2CC[NH+](C)CC2)cc(C)c1F ZINC000127844025 426088232 /nfs/dbraw/zinc/08/82/32/426088232.db2.gz CXNLTQMAIUKXQK-CVEARBPZSA-N 2 0 307.457 2.729 20 0 DFADRP C[N@@H+](CCC(=O)Nc1ccccc1F)CC[C@@H]1CCCC[NH+]1C ZINC000075860161 426088901 /nfs/dbraw/zinc/08/89/01/426088901.db2.gz RWTYBCVBOUTJHF-HNNXBMFYSA-N 2 0 321.440 2.961 20 0 DFADRP COC(=O)[C@H](c1ccccc1C)N1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000163085017 426089001 /nfs/dbraw/zinc/08/90/01/426089001.db2.gz HBLRSAGPCDPOTP-NXHRZFHOSA-N 2 0 316.445 2.625 20 0 DFADRP C[C@@H]1CCC[C@H]([NH+]2CCC([NH2+]CCc3cnn(C)c3)CC2)C1 ZINC000127857894 426089996 /nfs/dbraw/zinc/08/99/96/426089996.db2.gz PCRVICWZHWGNEA-QAPCUYQASA-N 2 0 304.482 2.595 20 0 DFADRP CC(C)C[C@H]([NH2+]CCCN1CCC[N@H+](C)CC1)c1ccccn1 ZINC000128253020 426109276 /nfs/dbraw/zinc/10/92/76/426109276.db2.gz GGSCGCRTUKJSPA-IBGZPJMESA-N 2 0 318.509 2.786 20 0 DFADRP CCC[NH+]1CCC([NH2+]CC(C)(C)NC(=O)OC(C)(C)C)CC1 ZINC000164070336 426111921 /nfs/dbraw/zinc/11/19/21/426111921.db2.gz CMBGKBXGJJOODM-UHFFFAOYSA-N 2 0 313.486 2.754 20 0 DFADRP CC[N@@H+]1CC[C@@H](CNC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000076458389 426112286 /nfs/dbraw/zinc/11/22/86/426112286.db2.gz CHNCJTOESAIWKP-SFHVURJKSA-N 2 0 301.478 2.582 20 0 DFADRP C[NH+](C)C[C@H]1CC[N@H+](CCC(=O)Nc2cccc(Cl)c2)C1 ZINC000113515809 426116205 /nfs/dbraw/zinc/11/62/05/426116205.db2.gz KVYPFBVKSXCEMY-CYBMUJFWSA-N 2 0 309.841 2.552 20 0 DFADRP C[C@@H](C[NH2+][C@@H](C)c1ccc([S@](C)=O)cc1)C[NH+]1CCCC1 ZINC000165314880 426122375 /nfs/dbraw/zinc/12/23/75/426122375.db2.gz NQKGOMCZVJBRLD-VFCRVFHLSA-N 2 0 308.491 2.807 20 0 DFADRP CCOc1ccccc1[C@@H](C)[NH2+]CCCN1CCC[N@H+](C)CC1 ZINC000128583917 426124120 /nfs/dbraw/zinc/12/41/20/426124120.db2.gz ZGLQBWVILNZBAZ-QGZVFWFLSA-N 2 0 319.493 2.764 20 0 DFADRP CCO[C@@H](CC[NH+](C)C)C[NH2+][C@H](C)c1cccc(NC(C)=O)c1 ZINC000165926547 426124776 /nfs/dbraw/zinc/12/47/76/426124776.db2.gz JUYWWLCILRWDAA-KDOFPFPSSA-N 2 0 321.465 2.652 20 0 DFADRP CC[NH+]1CCN([C@@H](C)C[NH2+][C@@H]2CCCc3ccc(C)cc32)CC1 ZINC000166158276 426125407 /nfs/dbraw/zinc/12/54/07/426125407.db2.gz CDSWTXQNRVWVIS-FXAWDEMLSA-N 2 0 315.505 2.988 20 0 DFADRP CC(C)[N@@H+]1CCC[C@H](CNC(=O)CC[C@H]([NH3+])c2ccccc2)C1 ZINC000166351123 426126910 /nfs/dbraw/zinc/12/69/10/426126910.db2.gz YMOMGZGNONWBMG-AEFFLSMTSA-N 2 0 317.477 2.703 20 0 DFADRP C[C@H]1C[C@@H](N[C@@H]2CC[NH+](C)[C@@H](C)C2)C[N@@H+]1Cc1ccccc1 ZINC000166337351 426127758 /nfs/dbraw/zinc/12/77/58/426127758.db2.gz AZPRWTRAZHBWOO-RNIPGJKVSA-N 2 0 301.478 2.722 20 0 DFADRP C[C@@H]([NH2+]C(C)(C)CNC(=O)[C@H]1CCC[C@H]([NH3+])C1)c1ccccc1 ZINC000167619373 426133344 /nfs/dbraw/zinc/13/33/44/426133344.db2.gz UAGVIAFIGMEPAQ-PVAVHDDUSA-N 2 0 317.477 2.750 20 0 DFADRP CC(C)[NH+]1CCC(NC(=O)C[N@@H+]2CCC[C@@H]2C2CCCC2)CC1 ZINC000114455556 426136410 /nfs/dbraw/zinc/13/64/10/426136410.db2.gz UVSJVBZSXVMNOY-GOSISDBHSA-N 2 0 321.509 2.630 20 0 DFADRP CC(C)[NH+]1CCC(NC(=O)C[N@@H+]2CCC[C@H]2CC(C)(C)C)CC1 ZINC000114455900 426136507 /nfs/dbraw/zinc/13/65/07/426136507.db2.gz CTADOIZGASAURQ-KRWDZBQOSA-N 2 0 323.525 2.876 20 0 DFADRP C[C@H](C[NH2+][C@H](C)c1cc2c(s1)CCC2)N1CC[NH+](C)CC1 ZINC000127576639 426073668 /nfs/dbraw/zinc/07/36/68/426073668.db2.gz FOFXBBXZVGSQNX-ZIAGYGMSSA-N 2 0 307.507 2.523 20 0 DFADRP C[C@@H](C[NH2+]C1CCN(CC[NH+](C)C)CC1)c1ccc(F)cc1 ZINC000127580959 426074214 /nfs/dbraw/zinc/07/42/14/426074214.db2.gz ZEFYJYBYXCTEIU-HNNXBMFYSA-N 2 0 307.457 2.545 20 0 DFADRP CC[NH+]1CCN([C@@H](C)C[NH2+]C[C@@H](C)c2ccc(F)cc2)CC1 ZINC000127592869 426074607 /nfs/dbraw/zinc/07/46/07/426074607.db2.gz YUXHWRUXHRAECI-CVEARBPZSA-N 2 0 307.457 2.545 20 0 DFADRP CC[NH+](CC)Cc1ccc(C(=O)NC[C@H](C)[NH+](CC)CC)cc1 ZINC000338164089 268630814 /nfs/dbraw/zinc/63/08/14/268630814.db2.gz PMURUGQQAUDIQV-INIZCTEOSA-N 2 0 319.493 2.989 20 0 DFADRP COc1cccc([C@H](CN[C@H]2CC[N@@H+]3CCC[C@@H]3C2)[NH+](C)C)c1 ZINC000127659869 426079478 /nfs/dbraw/zinc/07/94/78/426079478.db2.gz KGWGIWLZBMHTIG-SCTDSRPQSA-N 2 0 317.477 2.514 20 0 DFADRP C[C@@H]1C[C@@H]([NH2+]CC2=CCCOC2)CC[N@@H+]1Cc1ccccc1 ZINC000127762918 426084790 /nfs/dbraw/zinc/08/47/90/426084790.db2.gz XAYKGQKMUMZFIY-APWZRJJASA-N 2 0 300.446 2.976 20 0 DFADRP CC(C)[NH+]1CCC(NC(=O)C[N@@H+]2[C@H](C)C[C@H]3CCCC[C@@H]32)CC1 ZINC000075837483 426085894 /nfs/dbraw/zinc/08/58/94/426085894.db2.gz UXKYFKVZZXUZCS-NUJGCVRESA-N 2 0 321.509 2.628 20 0 DFADRP CC[N@@H+]1CC[C@@H]([NH+](C)CCOc2ccccc2OC)[C@H](C)C1 ZINC000081096234 426219677 /nfs/dbraw/zinc/21/96/77/426219677.db2.gz JJFLKQGPKYZPDT-HZPDHXFCSA-N 2 0 306.450 2.736 20 0 DFADRP CCC[C@H](C(=O)NCc1cccc(C[NH+](CC)CC)c1)[NH+](C)C ZINC000136572947 426242212 /nfs/dbraw/zinc/24/22/12/426242212.db2.gz YDFUUXSWNCUNEO-GOSISDBHSA-N 2 0 319.493 2.875 20 0 DFADRP C[C@H](C(=O)NCCCC[N@@H+]1CCC[C@@H](C)C1)[NH+]1CCCCCC1 ZINC000118773585 426244213 /nfs/dbraw/zinc/24/42/13/426244213.db2.gz AWPIJLDLTXAIJP-QZTJIDSGSA-N 2 0 323.525 2.879 20 0 DFADRP CC(C)[NH+]1CCC(C(=O)N[C@H](C[NH+](C)C)c2ccccc2)CC1 ZINC000173722702 426246167 /nfs/dbraw/zinc/24/61/67/426246167.db2.gz QGRDTWYKIPPUEZ-GOSISDBHSA-N 2 0 317.477 2.526 20 0 DFADRP CN(CC[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1)c1ccccc1 ZINC000085823290 426254561 /nfs/dbraw/zinc/25/45/61/426254561.db2.gz UXWBQNVHOUAREK-GOSISDBHSA-N 2 0 301.478 2.931 20 0 DFADRP C[NH+](C)CCN1CCC([NH2+][C@@H]2CCSc3ccccc32)CC1 ZINC000150960294 426269411 /nfs/dbraw/zinc/26/94/11/426269411.db2.gz DZUCEGXQRWECSF-QGZVFWFLSA-N 2 0 319.518 2.839 20 0 DFADRP CC(C)C[C@H]1CCC[N@H+](CC(=O)NC2CC[NH+](C(C)C)CC2)C1 ZINC000119256298 426271994 /nfs/dbraw/zinc/27/19/94/426271994.db2.gz GGIBHRFTWKDYPH-QGZVFWFLSA-N 2 0 323.525 2.734 20 0 DFADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]Cc1ccccc1Cn1cccn1 ZINC000119251607 426272100 /nfs/dbraw/zinc/27/21/00/426272100.db2.gz HKHQSYMSJARPNQ-MDZRGWNJSA-N 2 0 312.461 2.750 20 0 DFADRP CC[N@@H+]1CC[C@@H]([NH+](C)CCC(=O)N(C)c2ccccc2)[C@H](C)C1 ZINC000135199885 426208288 /nfs/dbraw/zinc/20/82/88/426208288.db2.gz HYKDENQFQPNTBO-SJLPKXTDSA-N 2 0 317.477 2.702 20 0 DFADRP C[C@H]1CCCC[N@@H+]1CCC1CC[NH+]([C@@H]2CCCCNC2=O)CC1 ZINC000119444362 426288763 /nfs/dbraw/zinc/28/87/63/426288763.db2.gz JTFUWGZYRICGLO-FUHWJXTLSA-N 2 0 321.509 2.632 20 0 DFADRP COc1ccc([C@@H](C)[C@H](C)[NH2+]C[C@H](O)C[NH+]2CCCCC2)cc1 ZINC000151308412 426289284 /nfs/dbraw/zinc/28/92/84/426289284.db2.gz ZGFUVJPGZSBLNA-BQFCYCMXSA-N 2 0 320.477 2.624 20 0 DFADRP CC[C@H](C)C[N@H+](Cc1nccn1CC)[C@@H]1CC12CC[NH2+]CC2 ZINC000339407387 268810520 /nfs/dbraw/zinc/81/05/20/268810520.db2.gz KFJBOIZYBYKFOF-JKSUJKDBSA-N 2 0 304.482 2.893 20 0 DFADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1[NH2+]CCc1nc2c(cccc2F)n1C ZINC000089674465 426301462 /nfs/dbraw/zinc/30/14/62/426301462.db2.gz ASDIOSLNOCNBNM-IPYPFGDCSA-N 2 0 318.440 2.573 20 0 DFADRP COC(=O)c1ccc(C[NH+]2CCC(CC[NH+](C)C)CC2)cc1F ZINC000151574158 426302927 /nfs/dbraw/zinc/30/29/27/426302927.db2.gz YZXWZNZQOQDXEO-UHFFFAOYSA-N 2 0 322.424 2.776 20 0 DFADRP Cc1cc(NC(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)ccn1 ZINC000120249958 426308332 /nfs/dbraw/zinc/30/83/32/426308332.db2.gz UQNIUDRMERPIMM-YOEHRIQHSA-N 2 0 314.433 2.871 20 0 DFADRP C[C@H](C[NH2+][C@@H]1CCCc2sccc21)CN1CC[NH+](C)CC1 ZINC000120996232 426319433 /nfs/dbraw/zinc/31/94/33/426319433.db2.gz JZIVZMHYSYKZPC-GDBMZVCRSA-N 2 0 307.507 2.599 20 0 DFADRP Cc1cc([C@H](C)[NH2+]C[C@@H](C)CN2CC[NH+](C)CC2)cc(C)c1F ZINC000121084405 426320709 /nfs/dbraw/zinc/32/07/09/426320709.db2.gz VSWKLZYAJVSMMX-PBHICJAKSA-N 2 0 321.484 2.977 20 0 DFADRP C[C@@H]([NH2+]C[C@@H]1CCC[N@H+](C)C1)c1ccc2c(c1)OCCCO2 ZINC000121222437 426326501 /nfs/dbraw/zinc/32/65/01/426326501.db2.gz CNWFTWAZQVBCBM-CABCVRRESA-N 2 0 304.434 2.840 20 0 DFADRP COc1cccc([C@H](C[NH2+][C@@H]2C[C@H](C)[N@H+](C)C[C@H]2C)N(C)C)c1 ZINC000121231940 426327264 /nfs/dbraw/zinc/32/72/64/426327264.db2.gz PVHPHNNCYTUWBV-OHQAAIJDSA-N 2 0 319.493 2.616 20 0 DFADRP COc1ccc(OC)c(CCC[NH2+][C@@H]2C[C@@H](C)[N@H+](C)C[C@H]2C)c1 ZINC000090888417 426332804 /nfs/dbraw/zinc/33/28/04/426332804.db2.gz SLGMYTWHEOTQEK-IIDMSEBBSA-N 2 0 320.477 2.955 20 0 DFADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+][C@H](C)c2ccccc2C)CC1 ZINC000121303362 426332803 /nfs/dbraw/zinc/33/28/03/426332803.db2.gz KSHGMYZSZXAFLX-FUHWJXTLSA-N 2 0 303.494 2.919 20 0 DFADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+][C@@H](C)c2ccccc2C)CC1 ZINC000121303036 426332826 /nfs/dbraw/zinc/33/28/26/426332826.db2.gz KSHGMYZSZXAFLX-WMZOPIPTSA-N 2 0 303.494 2.919 20 0 DFADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1[NH2+]C[C@H](O)c1ccc(Cl)c(F)c1 ZINC000090936170 426333754 /nfs/dbraw/zinc/33/37/54/426333754.db2.gz XNHRWXMRJZXOPD-OVTCNUJSSA-N 2 0 314.832 2.831 20 0 DFADRP C[C@@H]([NH2+]Cc1ccnc(OCC[NH+](C)C)c1)c1ccsc1 ZINC000090937445 426334879 /nfs/dbraw/zinc/33/48/79/426334879.db2.gz NQPPSGHUOUXBPU-CYBMUJFWSA-N 2 0 305.447 2.934 20 0 DFADRP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@@H](C)c2ccc(F)cc2)CC1 ZINC000121347039 426336230 /nfs/dbraw/zinc/33/62/30/426336230.db2.gz WJWXBQPTZMQHHN-CVEARBPZSA-N 2 0 307.457 2.750 20 0 DFADRP COC(=O)c1ccc(CN2CCC[C@H]([NH+]3CCCC3)CC2)s1 ZINC000119329315 426279450 /nfs/dbraw/zinc/27/94/50/426279450.db2.gz XCEKFNJTSKNASR-AWEZNQCLSA-N 2 0 322.474 2.985 20 0 DFADRP CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)c1cccc(C[NH+](C)C)c1 ZINC000119357087 426281632 /nfs/dbraw/zinc/28/16/32/426281632.db2.gz SYYMTHKVXFCEKQ-GOSISDBHSA-N 2 0 317.477 2.598 20 0 DFADRP CC[N@@H+]1CC[C@@H]([NH2+]CCCN2CCc3ccccc32)[C@H](C)C1 ZINC000121492595 426346685 /nfs/dbraw/zinc/34/66/85/426346685.db2.gz VJZJJRLEVKAFEI-SJLPKXTDSA-N 2 0 301.478 2.759 20 0 DFADRP CCCCNC(=O)[C@@H](C)[NH+]1CCC(CCC[NH+]2CCCC2)CC1 ZINC000121744121 426352230 /nfs/dbraw/zinc/35/22/30/426352230.db2.gz HQEDHXPDXQYCEN-QGZVFWFLSA-N 2 0 323.525 2.879 20 0 DFADRP C[C@@H]1CCC[C@@H](C[NH+]2CCN(C[C@@H]3CCCC[N@@H+]3C)CC2)C1 ZINC000092796437 426352739 /nfs/dbraw/zinc/35/27/39/426352739.db2.gz ZGAPTDHKWBDIKK-QRVBRYPASA-N 2 0 307.526 2.915 20 0 DFADRP OCc1ccc(CN2CCC[C@H](C[NH+]3CCCCCC3)C2)o1 ZINC000093016706 426353431 /nfs/dbraw/zinc/35/34/31/426353431.db2.gz QDCWAYZMWWJQFF-MRXNPFEDSA-N 2 0 306.450 2.860 20 0 DFADRP C[C@H]([NH2+][C@@H](C)[C@@H]1CCCO1)c1cccc(OCC[NH+](C)C)c1 ZINC000152871895 426358913 /nfs/dbraw/zinc/35/89/13/426358913.db2.gz ODWZVIGGCGQRSF-MPGHIAIKSA-N 2 0 306.450 2.845 20 0 DFADRP C[C@@H]1C[C@H](NCCC[NH+]2CCc3ccccc3C2)CC[N@@H+]1C ZINC000122758675 426392235 /nfs/dbraw/zinc/39/22/35/426392235.db2.gz GGOASSOBZMNHJR-VQIMIIECSA-N 3 0 301.478 2.507 20 0 DFADRP COC[C@H](C)C[NH2+][C@@H](C)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000123184275 426419152 /nfs/dbraw/zinc/41/91/52/426419152.db2.gz QWQKDDIWYNZLDB-CABCVRRESA-N 2 0 323.456 2.511 20 0 DFADRP CC[NH+]1CCN(CCC[NH2+][C@H](C)c2ccc(F)cc2F)CC1 ZINC000154250077 426432905 /nfs/dbraw/zinc/43/29/05/426432905.db2.gz VTKOBKDWFAWQHP-CQSZACIVSA-N 2 0 311.420 2.643 20 0 DFADRP C[C@H]1C[C@H]([NH2+]Cc2cc(N(C)C)nc3ccccc23)CC[N@@H+]1C ZINC000154446021 426440126 /nfs/dbraw/zinc/44/01/26/426440126.db2.gz ODDMOTGIXNMWFN-GOEBONIOSA-N 2 0 312.461 2.873 20 0 DFADRP CC[NH2+]Cc1cccc(NC(=O)CC2C[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC000123589387 426442200 /nfs/dbraw/zinc/44/22/00/426442200.db2.gz IHYAOXIRQKVIKQ-ZXFUBFMLSA-N 2 0 301.434 2.655 20 0 DFADRP C[C@@]1(CN2CCC[N@H+](CCCc3ccccc3)CC2)CC[NH2+]C1 ZINC000340708741 269002038 /nfs/dbraw/zinc/00/20/38/269002038.db2.gz KOOQFUUDQAPTJB-HXUWFJFHSA-N 2 0 315.505 2.627 20 0 DFADRP CCC[N@H+](C)C[C@@H]1CCN(C(=O)Nc2ccc(C)nc2C)C1 ZINC000176715445 426407029 /nfs/dbraw/zinc/40/70/29/426407029.db2.gz ANYPRNJDHWVVGX-HNNXBMFYSA-N 2 0 304.438 2.894 20 0 DFADRP CC[N@H+](Cc1ccc(C(=O)NC[C@@H](C)C[NH+](C)C)cc1)C1CC1 ZINC000341329928 269071230 /nfs/dbraw/zinc/07/12/30/269071230.db2.gz UNVMCUVSXHDKQA-OAHLLOKOSA-N 2 0 317.477 2.598 20 0 DFADRP CC[N@@H+]1CCCC[C@H]1C(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000177242537 426459391 /nfs/dbraw/zinc/45/93/91/426459391.db2.gz IOPMYRPJLCSWPU-SFHVURJKSA-N 2 0 321.509 2.774 20 0 DFADRP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@@H](C)c1ccc(F)c(Cl)c1 ZINC000155029279 426462301 /nfs/dbraw/zinc/46/23/01/426462301.db2.gz ICTMRJPJBAFFNM-OLZOCXBDSA-N 2 0 313.848 2.766 20 0 DFADRP CC[NH+](CC)[C@H](C(=O)NCC[NH2+]C(C)(C)C)c1ccccc1 ZINC000097594211 426470530 /nfs/dbraw/zinc/47/05/30/426470530.db2.gz IMRFHPZMQQLDMK-INIZCTEOSA-N 2 0 305.466 2.574 20 0 DFADRP COc1cccc([C@H](C)[NH2+]C2CC[NH+](C[C@@H]3CCOC3)CC2)c1 ZINC000177351942 426471099 /nfs/dbraw/zinc/47/10/99/426471099.db2.gz QPAMSPYIDCSVAJ-HOTGVXAUSA-N 2 0 318.461 2.847 20 0 DFADRP CC[N@@H+]1CC[C@@H](C[NH2+]Cc2ccc(OC(C)C)c(OC)c2)C1 ZINC000124163060 426473943 /nfs/dbraw/zinc/47/39/43/426473943.db2.gz IACKRNRJZOZUJK-INIZCTEOSA-N 2 0 306.450 2.914 20 0 DFADRP Cc1cccc2c1CC[C@H]2[NH2+]CC1CC[NH+](CCN(C)C)CC1 ZINC000124348788 426480616 /nfs/dbraw/zinc/48/06/16/426480616.db2.gz WNSWAPOYBKQKQA-HXUWFJFHSA-N 2 0 315.505 2.846 20 0 DFADRP C[C@@H]1C[NH+](CCC2CC[NH+](Cc3cccnc3)CC2)C[C@@H](C)O1 ZINC000177479327 426482478 /nfs/dbraw/zinc/48/24/78/426482478.db2.gz BWVXNVMLEPOCPN-IAGOWNOFSA-N 2 0 317.477 2.793 20 0 DFADRP C[C@@H]([NH2+]CC1CC[NH+](CCN(C)C)CC1)c1cccnc1Cl ZINC000124388392 426482599 /nfs/dbraw/zinc/48/25/99/426482599.db2.gz BMGLSZVUJCKJAM-CQSZACIVSA-N 2 0 324.900 2.659 20 0 DFADRP C[C@@H](CCc1ccc2c(c1)OCO2)[NH2+]C[C@H]1CC[N@@H+](C2CC2)C1 ZINC000124382309 426482826 /nfs/dbraw/zinc/48/28/26/426482826.db2.gz FLLUTKAHYQCTBE-GOEBONIOSA-N 2 0 316.445 2.810 20 0 DFADRP C[C@H](O)C[C@H](C)C[NH2+][C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272548807 426554389 /nfs/dbraw/zinc/55/43/89/426554389.db2.gz DWFYUNMCQXFHIZ-DWRORGKVSA-N 2 0 304.478 2.894 20 0 DFADRP C[C@@H](CCC1CC1)[NH2+]Cc1ccc(C(=O)NCC[NH+](C)C)cc1 ZINC000186410508 426523616 /nfs/dbraw/zinc/52/36/16/426523616.db2.gz BBVUIOGKCVWYRL-HNNXBMFYSA-N 2 0 317.477 2.646 20 0 DFADRP C[N@@H+]1CCC[C@H]2CN(Cc3cccc(Br)n3)CC[C@@H]21 ZINC000272444609 426525937 /nfs/dbraw/zinc/52/59/37/426525937.db2.gz UOSSYBLVFJTFJW-JSGCOSHPSA-N 2 0 324.266 2.760 20 0 DFADRP CC[N@@H+]1CC[C@@H]([NH2+]CCc2cc(OC)ccc2OC)[C@H](C)C1 ZINC000177955939 426545172 /nfs/dbraw/zinc/54/51/72/426545172.db2.gz PJYPKWUNIGHRPC-RHSMWYFYSA-N 2 0 306.450 2.566 20 0 DFADRP CC(C)N(C(=O)[C@@H](C)[NH+]1CCC(C[NH+]2CCCC2)CC1)C(C)C ZINC000194738611 426491361 /nfs/dbraw/zinc/49/13/61/426491361.db2.gz VICLDPUHPWVALK-QGZVFWFLSA-N 2 0 323.525 2.828 20 0 DFADRP C[C@H](CCc1ccccc1)[NH2+][C@@H](C)CCN1CC[NH+](C)CC1 ZINC000186581512 426554000 /nfs/dbraw/zinc/55/40/00/426554000.db2.gz LJIXDUPMJGEZRU-MSOLQXFVSA-N 2 0 303.494 2.623 20 0 DFADRP CC[NH+](CC)Cc1ccc(C(=O)N(C)C[C@H]2CC[N@H+](C)C2)cc1 ZINC000264148279 426505472 /nfs/dbraw/zinc/50/54/72/426505472.db2.gz HCAVADWFUGVZIE-KRWDZBQOSA-N 2 0 317.477 2.552 20 0 DFADRP c1ccc2c(c1)OC1(CCN(CCC[NH+]3CCCCC3)C1)O2 ZINC000289005377 426566560 /nfs/dbraw/zinc/56/65/60/426566560.db2.gz MTTJKOOSDXOCIX-UHFFFAOYSA-N 2 0 302.418 2.736 20 0 DFADRP COc1ccc(C[NH2+]CC2(C)CC[NH+](C)CC2)c(OC)c1OC ZINC000272596557 426569728 /nfs/dbraw/zinc/56/97/28/426569728.db2.gz RRYPYGCEGXJRIS-UHFFFAOYSA-N 2 0 322.449 2.534 20 0 DFADRP CC(C)[C@@H]([NH2+]CC1(O)CC[NH+](C)CC1)c1ccc(F)c(F)c1 ZINC000272738145 426571110 /nfs/dbraw/zinc/57/11/10/426571110.db2.gz KKOUZDBHCNUJAU-MRXNPFEDSA-N 2 0 312.404 2.708 20 0 DFADRP CCOC(=O)[C@H](c1ccccc1)N1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000178114256 426574754 /nfs/dbraw/zinc/57/47/54/426574754.db2.gz WKYJKVMOUPIFMG-KURKYZTESA-N 2 0 316.445 2.707 20 0 DFADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1NC1CC[NH+](CC2CCCC2)CC1 ZINC000178158702 426578396 /nfs/dbraw/zinc/57/83/96/426578396.db2.gz NDFCZZNXJQTQEK-GJYPPUQNSA-N 2 0 307.526 2.959 20 0 DFADRP C[C@H]([NH2+]CC(C)(C)CCO)c1cccc(OCC[NH+](C)C)c1 ZINC000178163431 426579996 /nfs/dbraw/zinc/57/99/96/426579996.db2.gz DISCZYRYMUIRBS-HNNXBMFYSA-N 2 0 308.466 2.686 20 0 DFADRP C[N@@H+]1CCCC[C@H]1CCN1CCC2(C1)Oc1ccccc1O2 ZINC000289140542 426590509 /nfs/dbraw/zinc/59/05/09/426590509.db2.gz YLPAYLXLMZMDDK-HNNXBMFYSA-N 2 0 302.418 2.734 20 0 DFADRP CC[NH+](CC)[C@@H](CNC(=O)[C@H](C)[NH2+]C(C)(C)CC)c1ccco1 ZINC000273196310 426613737 /nfs/dbraw/zinc/61/37/37/426613737.db2.gz IYTYMSZIUSWMEY-GJZGRUSLSA-N 2 0 323.481 2.945 20 0 DFADRP C[C@@H](C(=O)N[C@H]1CCC[C@@H](C)[C@@H]1C)N(C)C[C@@H]1CCC[N@H+](C)C1 ZINC000226693021 426622076 /nfs/dbraw/zinc/62/20/76/426622076.db2.gz QWKOWGCZFKVRMF-ICUGJSFKSA-N 2 0 323.525 2.589 20 0 DFADRP c1ccc(C[NH+]2C[C@H]3C[N@H+](CCc4ccncc4)C[C@H]3C2)cc1 ZINC000280631159 426619780 /nfs/dbraw/zinc/61/97/80/426619780.db2.gz YVVMDHKHJSONSE-BGYRXZFFSA-N 2 0 307.441 2.688 20 0 DFADRP Cc1ccc2c(c1)[C@H]([NH2+][C@H](C)CCN1CC[NH+](C)CC1)CC2 ZINC000186576432 426555634 /nfs/dbraw/zinc/55/56/34/426555634.db2.gz URNNARNLFDFMBC-VQIMIIECSA-N 2 0 301.478 2.598 20 0 DFADRP C[NH+](C)CCN1CCC([NH2+][C@@H](c2cccnc2)C2CCC2)CC1 ZINC000280354006 426556770 /nfs/dbraw/zinc/55/67/70/426556770.db2.gz SQBDGUQKKNRNQL-LJQANCHMSA-N 2 0 316.493 2.538 20 0 DFADRP C[C@@H]([NH2+][C@@H](C)CCN1CC[NH+](C)CC1)c1cccc(F)c1F ZINC000186600062 426561932 /nfs/dbraw/zinc/56/19/32/426561932.db2.gz NJZAJKPZNZRPNY-UONOGXRCSA-N 2 0 311.420 2.641 20 0 DFADRP OC1CC[NH+](CCC[NH2+]CC2CCC(C(F)(F)F)CC2)CC1 ZINC000186603615 426561958 /nfs/dbraw/zinc/56/19/58/426561958.db2.gz ZELHIDVAWJEOHT-UHFFFAOYSA-N 2 0 322.415 2.792 20 0 DFADRP CCC(C)(C)[NH2+][C@@H](C)C(=O)NCc1cccc(C[NH+](C)C)c1 ZINC000273284878 426635056 /nfs/dbraw/zinc/63/50/56/426635056.db2.gz XEOWUMZUCNGZQQ-AWEZNQCLSA-N 2 0 305.466 2.531 20 0 DFADRP CC(C)C(=O)Nc1ccc(C[NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)cc1 ZINC000178477942 426636455 /nfs/dbraw/zinc/63/64/55/426636455.db2.gz HJLJIAXDPDAXIR-WMLDXEAASA-N 2 0 303.450 2.853 20 0 DFADRP c1ccc2c(c1)[nH+]ccc2N1CC[NH+](CC2CCOCC2)CC1 ZINC000265513691 426649313 /nfs/dbraw/zinc/64/93/13/426649313.db2.gz PYQYMCXXRDNGPG-UHFFFAOYSA-N 2 0 311.429 2.783 20 0 DFADRP C[NH+]1CCC(C)(C[NH2+]Cc2ccc(Br)o2)CC1 ZINC000234316002 426655619 /nfs/dbraw/zinc/65/56/19/426655619.db2.gz PWJXFVMSZVYSSA-UHFFFAOYSA-N 2 0 301.228 2.864 20 0 DFADRP CC[NH+]1CCN([C@@H]2CC[N@H+](Cc3ccc4occc4c3)C2)CC1 ZINC000289436405 426656584 /nfs/dbraw/zinc/65/65/84/426656584.db2.gz WDDITAKKEAWPQP-GOSISDBHSA-N 2 0 313.445 2.645 20 0 DFADRP CCSc1cccc(C[N@H+](C)CCCN2CC[NH+](C)CC2)c1 ZINC000289463286 426663387 /nfs/dbraw/zinc/66/33/87/426663387.db2.gz OQRDYLQCLCOMCO-UHFFFAOYSA-N 2 0 321.534 2.868 20 0 DFADRP c1ccc2c(c1)C[C@H]1C[N@H+](CCC[NH+]3CCCCC3)CCCN21 ZINC000289586706 426668764 /nfs/dbraw/zinc/66/87/64/426668764.db2.gz WVIXTIGGLREUKA-IBGZPJMESA-N 2 0 313.489 2.999 20 0 DFADRP CC(C)(C)[NH+]1CCC([NH2+]C2CCN(c3ccccn3)CC2)CC1 ZINC000236643811 426669618 /nfs/dbraw/zinc/66/96/18/426669618.db2.gz DZRKGCADDCRHQQ-UHFFFAOYSA-N 2 0 316.493 2.903 20 0 DFADRP CC(C)[N@H+](C)Cc1ccccc1CNC(=O)[C@@]1(C)CCC[NH2+]C1 ZINC000236655937 426671271 /nfs/dbraw/zinc/67/12/71/426671271.db2.gz CGIOLFUFIFMQAR-IBGZPJMESA-N 2 0 317.477 2.533 20 0 DFADRP CCC(CC)(C[NH3+])C(=O)NCc1ccccc1C[N@H+](C)C(C)C ZINC000236684489 426674805 /nfs/dbraw/zinc/67/48/05/426674805.db2.gz CDBHGTUGIYLKTD-UHFFFAOYSA-N 2 0 319.493 2.908 20 0 DFADRP CCCC[N@H+](C)CC1CCN(C(=O)CCC2CC[NH2+]CC2)CC1 ZINC000236708553 426679527 /nfs/dbraw/zinc/67/95/27/426679527.db2.gz FEACQJLVEZLBAJ-UHFFFAOYSA-N 2 0 323.525 2.737 20 0 DFADRP CC1(C)CC([NH2+]Cc2c[nH]nc2-c2cccnc2)CC(C)(C)[NH2+]1 ZINC000236738508 426682632 /nfs/dbraw/zinc/68/26/32/426682632.db2.gz SVXUUUQWWXPUQA-UHFFFAOYSA-N 2 0 313.449 2.871 20 0 DFADRP CC(C)[C@H]([NH3+])C(=O)NCc1ccccc1C[N@@H+]1CCC[C@@H](C)C1 ZINC000236763787 426683843 /nfs/dbraw/zinc/68/38/43/426683843.db2.gz VBGZLLWFJHBSHL-QAPCUYQASA-N 2 0 317.477 2.518 20 0 DFADRP CCCN1Cc2cccc(NC(=O)[C@@H]3CC[NH2+][C@@H]3CC)c2C1 ZINC000290062952 426684210 /nfs/dbraw/zinc/68/42/10/426684210.db2.gz UTQAFGZUPHXFFZ-GDBMZVCRSA-N 2 0 301.434 2.739 20 0 DFADRP CC(C)[C@H]([NH3+])C(=O)NCc1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000236767706 426685079 /nfs/dbraw/zinc/68/50/79/426685079.db2.gz ZFFZQPYGPMZDFI-YJBOKZPZSA-N 2 0 317.477 2.518 20 0 DFADRP C[C@@H]([NH2+]Cc1ccc(CN2CC[NH+](C)CC2)cc1)c1ccoc1 ZINC000178414994 426623927 /nfs/dbraw/zinc/62/39/27/426623927.db2.gz RJUSYZMCMVRPJG-MRXNPFEDSA-N 2 0 313.445 2.878 20 0 DFADRP C[C@H]([NH3+])c1ccc(NC(=O)C2(c3ccccc3)CC[NH2+]CC2)cc1 ZINC000178411482 426624352 /nfs/dbraw/zinc/62/43/52/426624352.db2.gz YRROPWQTZZSWCK-HNNXBMFYSA-N 2 0 323.440 2.966 20 0 DFADRP Cc1ccc(NC(=O)CN2CCC[C@H]([C@H](C)[NH3+])C2)cc1Cl ZINC000227189539 426625895 /nfs/dbraw/zinc/62/58/95/426625895.db2.gz YWBBULIJZSPCJO-STQMWFEESA-N 2 0 309.841 2.646 20 0 DFADRP C[C@H](CNC(=O)[C@H]1CCCCCC[C@@H]1[NH3+])C[NH+]1CCCCC1 ZINC000237462507 426691133 /nfs/dbraw/zinc/69/11/33/426691133.db2.gz LCSHLWQYLFNHBB-IKGGRYGDSA-N 2 0 309.498 2.522 20 0 DFADRP COC[C@H]([NH2+]C[C@H](c1ccc(C)cc1)N(C)C)C1CCOCC1 ZINC000187889607 426703471 /nfs/dbraw/zinc/70/34/71/426703471.db2.gz MUAVNUHEJKPMSF-RBUKOAKNSA-N 2 0 320.477 2.629 20 0 DFADRP [NH3+][C@H](C(=O)Nc1ccc(CC[NH+]2CCCC2)cc1)c1ccccc1 ZINC000238044378 426705495 /nfs/dbraw/zinc/70/54/95/426705495.db2.gz AFIQEAVYIOBNNN-IBGZPJMESA-N 2 0 323.440 2.963 20 0 DFADRP C[NH+]1CCC(O)(C[NH2+]Cc2cccc(Cl)c2Cl)CC1 ZINC000265886007 426705655 /nfs/dbraw/zinc/70/56/55/426705655.db2.gz PPQWCONAQYIMGD-UHFFFAOYSA-N 2 0 303.233 2.540 20 0 DFADRP CC[C@H]([NH2+]C[C@@H](C)N1CC[NH+](CC)CC1)c1cccc(F)c1 ZINC000187770697 426693158 /nfs/dbraw/zinc/69/31/58/426693158.db2.gz YHPAVXKZFISPNV-QAPCUYQASA-N 2 0 307.457 2.892 20 0 DFADRP [NH3+][C@@H]1CCC[C@@H](C(=O)N2CCC[N@H+](CC3CCCCC3)CC2)C1 ZINC000237860272 426696352 /nfs/dbraw/zinc/69/63/52/426696352.db2.gz RWDLGZZBMOIWAR-QZTJIDSGSA-N 2 0 321.509 2.619 20 0 DFADRP [NH3+][C@@H]1CCC[C@H](C(=O)N2CCC[N@H+](CC3CCCCC3)CC2)C1 ZINC000237890645 426697733 /nfs/dbraw/zinc/69/77/33/426697733.db2.gz RWDLGZZBMOIWAR-ZWKOTPCHSA-N 2 0 321.509 2.619 20 0 DFADRP c1cn(CC[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)cn1 ZINC000245737303 426767003 /nfs/dbraw/zinc/76/70/03/426767003.db2.gz QZNVZVAGKPDTTM-REPLKXPHSA-N 2 0 310.445 2.668 20 0 DFADRP c1ccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@@H]([NH2+][C@@H]2CCCOC2)C3)cc1 ZINC000245731100 426768195 /nfs/dbraw/zinc/76/81/95/426768195.db2.gz QEIXJLQUGJNOCV-AKHDSKFASA-N 2 0 300.446 2.951 20 0 DFADRP c1ccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@H]([NH2+][C@H]2CCCOC2)C3)cc1 ZINC000245731102 426768550 /nfs/dbraw/zinc/76/85/50/426768550.db2.gz QEIXJLQUGJNOCV-CADBVGFASA-N 2 0 300.446 2.951 20 0 DFADRP CCO[C@@H](CC[NH+](C)C)C[NH2+][C@H](c1cncc(F)c1)C1CC1 ZINC000281817808 426773005 /nfs/dbraw/zinc/77/30/05/426773005.db2.gz ZKFSVHSXBFUUBW-IRXDYDNUSA-N 2 0 309.429 2.618 20 0 DFADRP CCC[NH+](CCC)CCCC(=O)NCc1ccc2c(c1)C[NH2+]C2 ZINC000188753899 426785472 /nfs/dbraw/zinc/78/54/72/426785472.db2.gz ZRRWTIYQNXRMRM-UHFFFAOYSA-N 2 0 317.477 2.808 20 0 DFADRP c1ccc2c(c1)CCN2CC1CC[NH+](CC2CC[NH2+]CC2)CC1 ZINC000178979308 426728930 /nfs/dbraw/zinc/72/89/30/426728930.db2.gz RHXODIFKMYXMHX-UHFFFAOYSA-N 2 0 313.489 2.761 20 0 DFADRP CC(C)[N@@H+](C)C[C@@H](C)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000290274031 426730663 /nfs/dbraw/zinc/73/06/63/426730663.db2.gz WNKWJMKDIRVBKM-QGZVFWFLSA-N 2 0 303.494 2.969 20 0 DFADRP Cc1nccn1CCC[N@@H+](C)Cc1ccc(N2CCCC2)nc1 ZINC000290342342 426745389 /nfs/dbraw/zinc/74/53/89/426745389.db2.gz FMJVLXWSYNAMOI-UHFFFAOYSA-N 2 0 313.449 2.709 20 0 DFADRP CCC[NH+]1CCC([NH2+]CC2CCN(CC(F)(F)F)CC2)CC1 ZINC000188524991 426761262 /nfs/dbraw/zinc/76/12/62/426761262.db2.gz GRCHQRFLIOCCBB-UHFFFAOYSA-N 2 0 321.431 2.725 20 0 DFADRP Cc1cc(C[NH+](C)C)cc(NC(=O)[C@@H]2CC[NH2+][C@H]2C(C)C)c1 ZINC000290581129 426797821 /nfs/dbraw/zinc/79/78/21/426797821.db2.gz NUAUKQHNAIKVGM-SJORKVTESA-N 2 0 303.450 2.629 20 0 DFADRP COc1ccccc1OC[C@H](C)C[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000179512782 426798274 /nfs/dbraw/zinc/79/82/74/426798274.db2.gz IHCPVTUGHGWYPW-OWCLPIDISA-N 2 0 306.450 2.782 20 0 DFADRP CCSc1cccc(C[NH2+][C@@H](C)CCN2CC[NH+](C)CC2)c1 ZINC000274602293 426800048 /nfs/dbraw/zinc/80/00/48/426800048.db2.gz QESRREODCNMDSS-INIZCTEOSA-N 2 0 321.534 2.914 20 0 DFADRP C[C@@H](CC(=O)NC[C@]1([NH+](C)C)CCC[C@@H](C)C1)C1CC[NH2+]CC1 ZINC000246158406 426804910 /nfs/dbraw/zinc/80/49/10/426804910.db2.gz AAWNLRYMWMXDGY-GJYPPUQNSA-N 2 0 323.525 2.639 20 0 DFADRP CCC(C)(C)[NH2+][C@@H](C)C(=O)NC[C@H](c1ccsc1)[NH+](C)C ZINC000274649728 426811989 /nfs/dbraw/zinc/81/19/89/426811989.db2.gz GELYTESNYXUDND-GXTWGEPZSA-N 2 0 311.495 2.634 20 0 DFADRP COC(=O)c1oc(C[NH+]2CCC(CCC[NH+](C)C)CC2)cc1C ZINC000179704640 426815321 /nfs/dbraw/zinc/81/53/21/426815321.db2.gz BZDQKXQAPNMGIC-UHFFFAOYSA-N 2 0 322.449 2.928 20 0 DFADRP CCC(C)(C)[N@H+](C)CC(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000274689707 426817920 /nfs/dbraw/zinc/81/79/20/426817920.db2.gz ZSBGNDSZSBMPFV-MRXNPFEDSA-N 2 0 305.466 2.526 20 0 DFADRP CC(C)C[N@@H+]1CCC[C@H](C[NH2+][C@H]2CCCc3c2cnn3C)C1 ZINC000246303515 426819408 /nfs/dbraw/zinc/81/94/08/426819408.db2.gz DGCWDIYOAZSEMM-WBVHZDCISA-N 2 0 304.482 2.755 20 0 DFADRP Cn1ccc(C[NH2+]Cc2ccc(OCCC[NH+](C)C)cc2)c1 ZINC000267134214 426829431 /nfs/dbraw/zinc/82/94/31/426829431.db2.gz WGARENMNWYNZAF-UHFFFAOYSA-N 2 0 301.434 2.645 20 0 DFADRP COC(C)(C)C[NH2+][C@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000180170676 426840965 /nfs/dbraw/zinc/84/09/65/426840965.db2.gz VBDSXHNZKJDUCY-SQNIBIBYSA-N 2 0 302.462 2.912 20 0 DFADRP C[C@H](CNC(=O)Nc1ccn2ccnc2c1)C[NH+]1CCCCC1 ZINC000290794720 426841069 /nfs/dbraw/zinc/84/10/69/426841069.db2.gz UXVNTQKGLZIYNJ-CQSZACIVSA-N 2 0 315.421 2.578 20 0 DFADRP Cc1cccc([C@H](C)[NH2+]CCN2CC[N@H+](C)C(C)(C)C2)c1C ZINC000282156190 426841397 /nfs/dbraw/zinc/84/13/97/426841397.db2.gz DCAUSIAURRYDGR-KRWDZBQOSA-N 2 0 303.494 2.980 20 0 DFADRP C[C@H](CNC(=O)[C@@H]1CCCCCC[C@H]1[NH3+])[NH+]1CCC(C)CC1 ZINC000246544860 426844098 /nfs/dbraw/zinc/84/40/98/426844098.db2.gz SOMXIKGBCNREDA-BRWVUGGUSA-N 2 0 309.498 2.521 20 0 DFADRP CC[NH+]1CCN([C@@H]2CC[N@H+](Cc3ccc(Cl)c(C)c3)C2)CC1 ZINC000180430088 426858502 /nfs/dbraw/zinc/85/85/02/426858502.db2.gz JWDWGQQEYJTBLB-QGZVFWFLSA-N 2 0 321.896 2.860 20 0 DFADRP CC(C)[C@H]([NH2+]CCN1CC[N@H+](C)C(C)(C)C1)c1ccccc1 ZINC000282194029 426851116 /nfs/dbraw/zinc/85/11/16/426851116.db2.gz GKIVFIOLYBPWLU-SFHVURJKSA-N 2 0 303.494 2.999 20 0 DFADRP C[N@@H+]1CCN(CC[NH2+]C2CC(c3ccccc3)C2)CC1(C)C ZINC000282203404 426851962 /nfs/dbraw/zinc/85/19/62/426851962.db2.gz GWJQFJSEJUUONS-UHFFFAOYSA-N 2 0 301.478 2.548 20 0 DFADRP CC(C)[NH2+]C1CCN(CCOCC(F)(F)C(F)(F)F)CC1 ZINC000189656084 426915379 /nfs/dbraw/zinc/91/53/79/426915379.db2.gz HCULZGWKCKVUHM-UHFFFAOYSA-N 2 0 318.330 2.663 20 0 DFADRP C[C@H]([NH2+]CC1(N(C)C)CCC1)c1ccc(OCC[NH+](C)C)cc1 ZINC000275800590 426921362 /nfs/dbraw/zinc/92/13/62/426921362.db2.gz YIMCWGRMMFSJTN-INIZCTEOSA-N 2 0 319.493 2.762 20 0 DFADRP C[C@@H](CCc1ccccc1)[NH2+]CCN1CC[N@H+](C)C(C)(C)C1 ZINC000282236212 426860488 /nfs/dbraw/zinc/86/04/88/426860488.db2.gz IUSXJDPWEQMXGP-KRWDZBQOSA-N 2 0 303.494 2.623 20 0 DFADRP CC[N@@H+]1CC[C@H]([NH2+]CC[C@@H](C)NC(=O)OC(C)(C)C)[C@H](C)C1 ZINC000180515342 426866585 /nfs/dbraw/zinc/86/65/85/426866585.db2.gz OPDUZRMXADZZNK-KFWWJZLASA-N 2 0 313.486 2.610 20 0 DFADRP CC[N@@H+]1CC[C@@H]([NH2+]CC(C)(C)NC(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000246827566 426869758 /nfs/dbraw/zinc/86/97/58/426869758.db2.gz AYHHDINUKGWZQJ-UONOGXRCSA-N 2 0 313.486 2.610 20 0 DFADRP CC[N@@H+]1CC[C@H]([NH2+][C@H]2CCN(c3ccccc3OC)C2)[C@H](C)C1 ZINC000246870379 426875846 /nfs/dbraw/zinc/87/58/46/426875846.db2.gz CZBAVRJXOMXGON-IKGGRYGDSA-N 2 0 317.477 2.594 20 0 DFADRP C[C@H]([NH2+][C@@H]1CCCC[C@H]1CO)c1ccc(OCC[NH+](C)C)cc1 ZINC000305106344 426880367 /nfs/dbraw/zinc/88/03/67/426880367.db2.gz DDENMNBBNKOYIB-VDZJLULYSA-N 2 0 320.477 2.829 20 0 DFADRP Cc1nc2c(s1)[C@@H]([NH2+]CCCC[N@@H+]1CCC[C@@H]1CO)CCC2 ZINC000305135983 426884154 /nfs/dbraw/zinc/88/41/54/426884154.db2.gz ONAUVGSBULDPDG-CABCVRRESA-N 2 0 323.506 2.655 20 0 DFADRP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)C[C@H](C)c2ccc(F)cc2)CC1 ZINC000275641556 426886234 /nfs/dbraw/zinc/88/62/34/426886234.db2.gz AOUAAPPYRFKXNU-JKSUJKDBSA-N 2 0 322.468 2.954 20 0 DFADRP c1ncc(C[N@@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)[nH]1 ZINC000291463069 426888710 /nfs/dbraw/zinc/88/87/10/426888710.db2.gz NVTJMJTVEVBNMH-UHFFFAOYSA-N 2 0 310.445 2.898 20 0 DFADRP CC[N@@H+]1CC[C@H]([NH2+]CCN2c3ccccc3C[C@H]2C)[C@@H](C)C1 ZINC000246992902 426889052 /nfs/dbraw/zinc/88/90/52/426889052.db2.gz KWGNQSMKHMVUNA-JZXOWHBKSA-N 2 0 301.478 2.758 20 0 DFADRP CC(C)Oc1ccccc1C[NH2+]CCN1CC[N@H+](C)C(C)(C)C1 ZINC000282363319 426892858 /nfs/dbraw/zinc/89/28/58/426892858.db2.gz NKFSVAJZIPHAIO-UHFFFAOYSA-N 2 0 319.493 2.589 20 0 DFADRP CC(C)C[C@H](C[NH3+])CC(=O)NC[C@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC000316745268 426948352 /nfs/dbraw/zinc/94/83/52/426948352.db2.gz LKBFZCIBEJHRLL-RYRKJORJSA-N 2 0 311.514 2.624 20 0 DFADRP CC[C@@H]1C[N@H+](CCCc2nc(-c3cccs3)no2)CC[C@H]1[NH3+] ZINC000316909264 426952415 /nfs/dbraw/zinc/95/24/15/426952415.db2.gz VHBCBNNTYYNLLS-CHWSQXEVSA-N 2 0 320.462 2.790 20 0 DFADRP COc1cc2c(cc1CN(C)CC[C@H]([NH3+])C(C)C)O[C@H](C)C2 ZINC000317141040 426955090 /nfs/dbraw/zinc/95/50/90/426955090.db2.gz KBUXVUDXZBNOHN-CJNGLKHVSA-N 2 0 306.450 2.824 20 0 DFADRP C[NH+](C)CCOCC[NH2+][C@H]1CCCc2c3ccccc3[nH]c21 ZINC000318813552 426959454 /nfs/dbraw/zinc/95/94/54/426959454.db2.gz IYYUHFATUYYTHT-KRWDZBQOSA-N 2 0 301.434 2.713 20 0 DFADRP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+][C@@H](C)c1ccc2[nH]c(=O)[nH]c2c1 ZINC000321015856 426966617 /nfs/dbraw/zinc/96/66/17/426966617.db2.gz UARRBHPUMCBSLK-VNHYZAJKSA-N 2 0 316.449 2.818 20 0 DFADRP CC[C@H](O)C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000247961273 426968565 /nfs/dbraw/zinc/96/85/65/426968565.db2.gz GGAICTPKPXLIFT-GBESFXJTSA-N 2 0 302.462 2.744 20 0 DFADRP Cc1ccc(C[NH2+]C[C@H](C)C[NH+](C)C)c(-c2cnn(C)c2)c1 ZINC000291739135 426971106 /nfs/dbraw/zinc/97/11/06/426971106.db2.gz OTWCYFCVZWRFDR-HNNXBMFYSA-N 2 0 300.450 2.683 20 0 DFADRP Cc1cc2ncn(C[C@@H](O)C[N@@H+]3C[C@@H]4CCC[C@@H]4C3)c2cc1C ZINC000268268782 426972441 /nfs/dbraw/zinc/97/24/41/426972441.db2.gz GUMDCTYANJIURR-BBWFWOEESA-N 2 0 313.445 2.746 20 0 DFADRP CCO[C@H]1C[C@@H]([NH2+]C2CC[NH+](CCCOC)CC2)C12CCCC2 ZINC000181660833 426974048 /nfs/dbraw/zinc/97/40/48/426974048.db2.gz GSLTYHMONIEKDD-MSOLQXFVSA-N 2 0 324.509 2.815 20 0 DFADRP Cc1ccc([C@@H](CCn2cncn2)[NH2+]CCCC[NH+](C)C)cc1 ZINC000275841662 426929632 /nfs/dbraw/zinc/92/96/32/426929632.db2.gz JJFZLXTVOKGEOC-GOSISDBHSA-N 2 0 315.465 2.649 20 0 DFADRP O[C@@H](C[NH+]1CCC(CCC[NH+]2CCCC2)CC1)CC(F)(F)F ZINC000189743506 426939889 /nfs/dbraw/zinc/93/98/89/426939889.db2.gz ZQCMFVUAHCWLPU-OAHLLOKOSA-N 2 0 322.415 2.888 20 0 DFADRP CC[NH+](CC)[C@@H](CNC(=O)CCC(C)(C)[NH3+])c1ccccc1 ZINC000315936517 426940287 /nfs/dbraw/zinc/94/02/87/426940287.db2.gz IHYHLTKNGOZAMM-INIZCTEOSA-N 2 0 305.466 2.703 20 0 DFADRP CC[NH+](CC)Cc1ccc(CNC(=O)CCC(C)(C)[NH3+])cc1 ZINC000315935738 426941314 /nfs/dbraw/zinc/94/13/14/426941314.db2.gz IGAKOEXYEUUWJX-UHFFFAOYSA-N 2 0 305.466 2.662 20 0 DFADRP CC[NH+](CC)CC1CCN(C(=O)C[C@@H](C[NH3+])CC(C)C)CC1 ZINC000316183176 426942531 /nfs/dbraw/zinc/94/25/31/426942531.db2.gz NDKPRZKOMIPDOU-KRWDZBQOSA-N 2 0 311.514 2.578 20 0 DFADRP C[C@@H]1C[N@H+](CC(C)(C)C[NH+](C)Cc2ccccc2)CC[C@@H]1O ZINC000190056689 427010545 /nfs/dbraw/zinc/01/05/45/427010545.db2.gz VXMSVTMMXLLFKO-AEFFLSMTSA-N 2 0 304.478 2.847 20 0 DFADRP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1[NH2+]CCn1ccnc1 ZINC000276256791 427019370 /nfs/dbraw/zinc/01/93/70/427019370.db2.gz QKLLJHOJNZTGIZ-IAGOWNOFSA-N 2 0 312.461 2.629 20 0 DFADRP C[C@H]1CCCC[N@H+](CC(=O)NC[C@H](c2ccccc2)[NH+](C)C)C1 ZINC000248590519 427019821 /nfs/dbraw/zinc/01/98/21/427019821.db2.gz ZFGNFAVPTREZIK-FUHWJXTLSA-N 2 0 317.477 2.528 20 0 DFADRP C[C@@H](CCN1CC[NH+](C)CC1)[NH2+][C@@H](C)[C@@H]1C[C@H]1c1ccccc1 ZINC000283506319 427025375 /nfs/dbraw/zinc/02/53/75/427025375.db2.gz ZDYXUIQTVIIMCP-ZULIPRJHSA-N 2 0 315.505 2.794 20 0 DFADRP O[C@H](CCc1ccccc1)C[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000182243791 427037070 /nfs/dbraw/zinc/03/70/70/427037070.db2.gz ZGRBVFMQLKIXHL-HXUWFJFHSA-N 2 0 316.489 2.788 20 0 DFADRP CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)[C@@]2(CC)CCC[NH2+]2)C1 ZINC000248755853 427039450 /nfs/dbraw/zinc/03/94/50/427039450.db2.gz VDCYCJBNDJONGZ-CRAIPNDOSA-N 2 0 309.498 2.535 20 0 DFADRP C[N@@H+]1CCCC[C@H]1CC[NH+]1CC[C@H](CNc2ccccn2)C1 ZINC000268545126 427049629 /nfs/dbraw/zinc/04/96/29/427049629.db2.gz LYQOLZHNHOIXEJ-SJORKVTESA-N 2 0 302.466 2.690 20 0 DFADRP Cc1ccc(C[NH+](C)C)cc1NC(=O)CC1CC[NH+](C)CC1 ZINC000292037740 427066221 /nfs/dbraw/zinc/06/62/21/427066221.db2.gz XKLAWFDDXSXQKR-UHFFFAOYSA-N 2 0 303.450 2.727 20 0 DFADRP CCN1CC[NH+](CCCC[NH2+][C@@H]2CCC[C@H]2CCCF)CC1 ZINC000337989183 427076155 /nfs/dbraw/zinc/07/61/55/427076155.db2.gz LGQCLGGZLPKILB-ZWKOTPCHSA-N 2 0 313.505 2.912 20 0 DFADRP C[NH+]1CCC(Oc2ccc(C[NH2+]Cc3cncs3)cc2)CC1 ZINC000283799037 427077189 /nfs/dbraw/zinc/07/71/89/427077189.db2.gz AGRBIOJFSRVODV-UHFFFAOYSA-N 2 0 317.458 2.906 20 0 DFADRP CCn1ccnc1[C@H](C)NCc1cccc(OCC[NH+](C)C)c1 ZINC000296113893 427080761 /nfs/dbraw/zinc/08/07/61/427080761.db2.gz UYRQRQZKIDEAPH-HNNXBMFYSA-N 2 0 316.449 2.694 20 0 DFADRP CCCC[N@H+](CC)Cc1cccc(CNC(=O)[C@H](C)[C@H](C)[NH3+])c1 ZINC000249094778 427085377 /nfs/dbraw/zinc/08/53/77/427085377.db2.gz TXVWVDRALUEXFB-CVEARBPZSA-N 2 0 319.493 2.908 20 0 DFADRP C[N@@H+]1CC[C@@]2(CC[NH+](CCC(=O)Nc3ccc(Cl)cc3)C2)C1 ZINC000292108466 427092337 /nfs/dbraw/zinc/09/23/37/427092337.db2.gz ISXJJOBHMFYOQT-QGZVFWFLSA-N 2 0 321.852 2.696 20 0 DFADRP CCO[C@@H](CC[NH+](C)C)C[NH2+][C@@H]1CCCc2ccc(O)cc21 ZINC000283916461 427098998 /nfs/dbraw/zinc/09/89/98/427098998.db2.gz DODSDIPLUAQZNJ-FUHWJXTLSA-N 2 0 306.450 2.716 20 0 DFADRP CC(C)[N@H+](C)CCC[NH2+][C@H](C)c1ccc(-n2cncn2)cc1 ZINC000268777639 427112366 /nfs/dbraw/zinc/11/23/66/427112366.db2.gz SDWDGHDVXPLDFU-OAHLLOKOSA-N 2 0 301.438 2.648 20 0 DFADRP Cc1cc(N[C@H](C)C[NH+]2CCN(C)CC2)c2cc(F)ccc2[nH+]1 ZINC000268793009 427119219 /nfs/dbraw/zinc/11/92/19/427119219.db2.gz GZLGMHHPCPZORY-CQSZACIVSA-N 2 0 316.424 2.730 20 0 DFADRP CNC(=O)C[C@@H](C)[NH2+]Cc1ccccc1C[N@@H+]1CCC[C@@H](C)C1 ZINC000268802786 427122615 /nfs/dbraw/zinc/12/26/15/427122615.db2.gz HXFRMGPBLKINQV-HZPDHXFCSA-N 2 0 317.477 2.533 20 0 DFADRP C[C@H]1CCC[N@H+](Cc2ccc(NC(=O)C[C@H]3CC[NH2+]C3)cc2)C1 ZINC000249527879 427124885 /nfs/dbraw/zinc/12/48/85/427124885.db2.gz AJELEGTZSPGQFX-DOTOQJQBSA-N 2 0 315.461 2.857 20 0 DFADRP CC[NH+](CC)[C@@H](C(=O)N[C@H](C)CCCC[NH3+])c1ccccc1 ZINC000292030557 427063890 /nfs/dbraw/zinc/06/38/90/427063890.db2.gz GSBXFPJPSWDJPV-NVXWUHKLSA-N 2 0 305.466 2.703 20 0 DFADRP C[C@H](c1nc(-c2ccccc2)no1)N1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000292208771 427131662 /nfs/dbraw/zinc/13/16/62/427131662.db2.gz TUWFZEQUNGZUIS-RDTXWAMCSA-N 2 0 312.417 2.825 20 0 DFADRP Cc1ccc([C@H](CNC(=O)c2ccc3c[nH+]cn3c2)[NH+](C)C)cc1 ZINC000284107706 427132073 /nfs/dbraw/zinc/13/20/73/427132073.db2.gz YJEWHGFPCUZUJZ-SFHVURJKSA-N 2 0 322.412 2.675 20 0 DFADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+][C@@H]2CCc3ccc(C)cc32)CC1 ZINC000121311704 271023008 /nfs/dbraw/zinc/02/30/08/271023008.db2.gz LNWQVROWUPPFSQ-FXAWDEMLSA-N 2 0 315.505 2.846 20 0 DFADRP C(C[N@H+](C[C@@H]1CCCO1)[C@@H]1CCSC1)C[NH+]1CCCCC1 ZINC000162113827 271081458 /nfs/dbraw/zinc/08/14/58/271081458.db2.gz AEXMUNUFIGGSGJ-SJORKVTESA-N 2 0 312.523 2.849 20 0 DFADRP C[C@H](C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1)[NH+]1CCCCCC1 ZINC000175113942 271148149 /nfs/dbraw/zinc/14/81/49/271148149.db2.gz FHOPDZIVJTVTNJ-CQSZACIVSA-N 2 0 309.498 2.676 20 0 DFADRP C[C@@H](CC[NH+](C)C)[NH2+]C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000227658540 271237250 /nfs/dbraw/zinc/23/72/50/271237250.db2.gz RHWIMFZABFLCNF-GJZGRUSLSA-N 2 0 313.486 2.563 20 0 DFADRP CCC[NH+]1CCC([NH2+]C[C@@H](CC)NC(=O)OC(C)(C)C)CC1 ZINC000227716556 271238618 /nfs/dbraw/zinc/23/86/18/271238618.db2.gz KNEFTWIXICAOOF-CQSZACIVSA-N 2 0 313.486 2.754 20 0 DFADRP CC(C)(C[NH3+])C(=O)NC[C@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC000236611075 271239662 /nfs/dbraw/zinc/23/96/62/271239662.db2.gz ALWNZNLYZOFHOI-OAHLLOKOSA-N 2 0 323.868 2.578 20 0 DFADRP CC[NH+](CC)[C@H](CNC(=O)C1(C[NH3+])CCCC1)c1ccsc1 ZINC000236873517 271240930 /nfs/dbraw/zinc/24/09/30/271240930.db2.gz VVNDSWZTBHZJMH-OAHLLOKOSA-N 2 0 323.506 2.766 20 0 DFADRP [NH3+]CC1(C(=O)NC[C@H](c2cccs2)[NH+]2CCCC2)CCCC1 ZINC000238053053 271255938 /nfs/dbraw/zinc/25/59/38/271255938.db2.gz MWJGVLXNMFQXND-CQSZACIVSA-N 2 0 321.490 2.520 20 0 DFADRP CCO[C@@H](CC[NH+](C)C)C[NH2+][C@@H]1CCc2c1c(F)ccc2F ZINC000269883830 271288032 /nfs/dbraw/zinc/28/80/32/271288032.db2.gz BEKZNYRYECDVOC-BLLLJJGKSA-N 2 0 312.404 2.899 20 0 DFADRP CC[NH+](CC)Cc1ccc(C(=O)N2CC[N@H+](C)CC[C@@H]2C)cc1 ZINC000338174829 427171153 /nfs/dbraw/zinc/17/11/53/427171153.db2.gz LERIVKATDKTZPT-INIZCTEOSA-N 2 0 317.477 2.695 20 0 DFADRP C[C@H](O)C[NH+]1CCC(C[N@H+](C)CCc2ccccc2Cl)CC1 ZINC000303323374 271365035 /nfs/dbraw/zinc/36/50/35/271365035.db2.gz MKNBPIRSJMTBGK-HNNXBMFYSA-N 2 0 324.896 2.907 20 0 DFADRP CC(C)c1nc([C@@H]2CCC[N@H+](CC[C@H]3CCC[NH2+]C3)C2)no1 ZINC000333639031 271381837 /nfs/dbraw/zinc/38/18/37/271381837.db2.gz HVWBWCNWFZXPLD-HUUCEWRRSA-N 2 0 306.454 2.762 20 0 DFADRP C[C@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](CCCn2ccnc2)C1 ZINC000183178771 427217016 /nfs/dbraw/zinc/21/70/16/427217016.db2.gz HDJXZCYHHVSADQ-ZWKOTPCHSA-N 2 0 304.482 2.860 20 0 DFADRP C[C@H]1C[C@H](CC[NH2+]Cc2cncn2C)C[N@@H+]1Cc1ccccc1 ZINC000338196216 427185162 /nfs/dbraw/zinc/18/51/62/427185162.db2.gz NIBNKRDOLYRWHK-WMZOPIPTSA-N 2 0 312.461 2.810 20 0 DFADRP C[C@@H]1C[C@H](CC[NH2+]Cc2cnn(C)c2)C[N@@H+]1Cc1ccccc1 ZINC000338201053 427188632 /nfs/dbraw/zinc/18/86/32/427188632.db2.gz YFASCWTWAFDBIR-AEFFLSMTSA-N 2 0 312.461 2.810 20 0 DFADRP CC(C)[C@@H]([NH3+])C(=O)NCC1([NH2+][C@@H](C)c2ccccc2)CCCC1 ZINC000292549663 427192589 /nfs/dbraw/zinc/19/25/89/427192589.db2.gz SLJVVCJXCFHJAM-DOTOQJQBSA-N 2 0 317.477 2.750 20 0 DFADRP C[C@H]1C[C@@H]([NH2+]CCc2cccc(C(F)(F)F)n2)CN1C1CC1 ZINC000293131640 427219528 /nfs/dbraw/zinc/21/95/28/427219528.db2.gz ZTYGEAAYJFOVPJ-WCQYABFASA-N 2 0 313.367 2.858 20 0 DFADRP O[C@@H](CC1CCCC1)C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000190916510 427203564 /nfs/dbraw/zinc/20/35/64/427203564.db2.gz YFYOXKMJNLLNLJ-NZSAHSFTSA-N 2 0 306.494 2.876 20 0 DFADRP C[C@@H](CO)C[NH2+][C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000183132058 427207464 /nfs/dbraw/zinc/20/74/64/427207464.db2.gz GGAVIIJAEMBEMR-XGXHKWSGSA-N 2 0 302.462 2.505 20 0 DFADRP CCOCC[NH2+][C@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000183130073 427207484 /nfs/dbraw/zinc/20/74/84/427207484.db2.gz AOALRBVAGMHLFR-QYZOEREBSA-N 2 0 302.462 2.913 20 0 DFADRP C[C@@H](O)CC[NH2+][C@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000183142284 427211115 /nfs/dbraw/zinc/21/11/15/427211115.db2.gz SJVOZGCFDJLRJE-BVBHFADKSA-N 2 0 302.462 2.648 20 0 DFADRP C[N@H+](Cc1ccc(-n2ccnc2)cc1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000285379666 427215462 /nfs/dbraw/zinc/21/54/62/427215462.db2.gz CRUHIWNZISUUAN-DFNIBXOVSA-N 2 0 310.445 2.929 20 0 DFADRP CCN(CC)C(=O)C[C@H](C)[NH2+][C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000183192655 427220512 /nfs/dbraw/zinc/22/05/12/427220512.db2.gz NHPLMEHOGVAICF-GVDBMIGSSA-N 2 0 323.525 2.876 20 0 DFADRP C[NH+](C)C1(CNC(=O)C[C@H]([NH3+])c2ccccc2)CCCCCC1 ZINC000269535465 427221746 /nfs/dbraw/zinc/22/17/46/427221746.db2.gz YHTSOJVNDJMDFR-KRWDZBQOSA-N 2 0 317.477 2.847 20 0 DFADRP CC[NH+](CC)CCCN1CCC[N@H+](Cc2ccccc2)CC1 ZINC000338265384 427224229 /nfs/dbraw/zinc/22/42/29/427224229.db2.gz VXUIOJKNAXVIDU-UHFFFAOYSA-N 2 0 303.494 2.926 20 0 DFADRP C[C@H](C[NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1)Cc1ccccc1 ZINC000277546818 427238115 /nfs/dbraw/zinc/23/81/15/427238115.db2.gz QSCJSYKPFPFZGG-ROUUACIJSA-N 2 0 304.478 2.956 20 0 DFADRP CCC[N@H+](CC)Cc1ccc(C(=O)N[C@@H]2CC[NH2+]C[C@@H]2C)cc1 ZINC000277597400 427256018 /nfs/dbraw/zinc/25/60/18/427256018.db2.gz POMGZDYFDWBSIM-MAUKXSAKSA-N 2 0 317.477 2.646 20 0 DFADRP CSc1ccc([C@H](CNC2CC[NH+](C)CC2)[NH+](C)C)cc1 ZINC000293292394 427275443 /nfs/dbraw/zinc/27/54/43/427275443.db2.gz DICHGYWYNUHSBQ-KRWDZBQOSA-N 2 0 307.507 2.695 20 0 DFADRP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@@H](C)c1csc(Cl)c1 ZINC000191274577 427306176 /nfs/dbraw/zinc/30/61/76/427306176.db2.gz WLFFFZDACIRTAX-NEPJUHHUSA-N 2 0 301.887 2.688 20 0 DFADRP COCC[N@H+](C)CCC[NH2+][C@H](C)c1ccc(OC)c(OC)c1C ZINC000285676685 427306791 /nfs/dbraw/zinc/30/67/91/427306791.db2.gz NQYUUWFCWQFHBJ-OAHLLOKOSA-N 2 0 324.465 2.631 20 0 DFADRP COC(=O)CCC[NH2+][C@H](C)c1ccc(-n2ccnc2C)cc1 ZINC000183678075 427316458 /nfs/dbraw/zinc/31/64/58/427316458.db2.gz NFTMEKXAQVRQJS-CYBMUJFWSA-N 2 0 301.390 2.785 20 0 DFADRP C[C@H](Cc1cccc(Cl)c1)[NH2+]C[C@H](O)C[NH+]1CCC(C)CC1 ZINC000338429140 427317070 /nfs/dbraw/zinc/31/70/70/427317070.db2.gz DHXVMERSEAEWAI-QAPCUYQASA-N 2 0 324.896 2.953 20 0 DFADRP CC[C@@H](N[C@@H](C)c1ccc(-n2ccnc2C)cc1)C(=O)OC ZINC000183684574 427319037 /nfs/dbraw/zinc/31/90/37/427319037.db2.gz DAVKHCXWWSHCSM-BLLLJJGKSA-N 2 0 301.390 2.783 20 0 DFADRP Cc1ccc(C[NH2+][C@H]2CC[N@H+](C)[C@@H](C)C2)c(-c2ccnn2C)c1 ZINC000338444057 427325463 /nfs/dbraw/zinc/32/54/63/427325463.db2.gz LSAWSJRSWIEAAU-RDJZCZTQSA-N 2 0 312.461 2.968 20 0 DFADRP C[C@H]1CCN(C[C@@]2(C)CC[NH2+]C2)CC[N@@H+]1Cc1ccccc1 ZINC000261722166 427339684 /nfs/dbraw/zinc/33/96/84/427339684.db2.gz GBEPZGAFMYCOBV-HKUYNNGSSA-N 2 0 301.478 2.582 20 0 DFADRP CCN(C)c1ccc(CN(C)[C@@H]2CC[N@H+](CC)C[C@H]2C)cn1 ZINC000191397030 427341634 /nfs/dbraw/zinc/34/16/34/427341634.db2.gz QICOXXFDTMHWBX-NVXWUHKLSA-N 2 0 304.482 2.700 20 0 DFADRP C[C@H](CCCC[NH3+])NC(=O)[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000293327410 427290534 /nfs/dbraw/zinc/29/05/34/427290534.db2.gz IUYHHODMYUMNIX-AEFFLSMTSA-N 2 0 317.477 2.675 20 0 DFADRP [NH3+]C[C@@H](NC(=O)C1([NH3+])CCCCC1)c1ccc2ccccc2c1 ZINC000262789026 427372454 /nfs/dbraw/zinc/37/24/54/427372454.db2.gz NLMNYCHZLIRYAO-QGZVFWFLSA-N 2 0 311.429 2.617 20 0 DFADRP CC[NH+](CC)CCO[C@@H]1CC[N@H+](C[C@@H](OC)c2ccccc2)C1 ZINC000338549513 427374448 /nfs/dbraw/zinc/37/44/48/427374448.db2.gz RRQOQEFNCRZPPN-RTBURBONSA-N 2 0 320.477 2.807 20 0 DFADRP CCOC(=O)c1ccc(CN(C)C2CC[NH+](C(C)C)CC2)o1 ZINC000271023247 427376613 /nfs/dbraw/zinc/37/66/13/427376613.db2.gz CGYIBQYQFOFPBL-UHFFFAOYSA-N 2 0 308.422 2.761 20 0 DFADRP C[C@@H](NCc1cn(C(C)(C)C)nn1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000191580179 427381006 /nfs/dbraw/zinc/38/10/06/427381006.db2.gz YBPXBIDFMASCBY-CABCVRRESA-N 2 0 319.497 2.776 20 0 DFADRP CS[C@H]1CCCC[N@H+](CCCN2CC[NH+](C(C)C)CC2)C1 ZINC000191589816 427384757 /nfs/dbraw/zinc/38/47/57/427384757.db2.gz JOMKOVVDWQSJLS-KRWDZBQOSA-N 2 0 313.555 2.620 20 0 DFADRP CCOC(=O)[C@@H]1CC[C@H]([NH2+]C[C@@H](C)C[NH+](C)C)c2ccccc21 ZINC000293639846 427391713 /nfs/dbraw/zinc/39/17/13/427391713.db2.gz KQOGTJSKKRTMDO-OLMNPRSZSA-N 2 0 318.461 2.956 20 0 DFADRP Cc1nccnc1CC[NH2+][C@@H]1C[C@@H](C)CN(Cc2ccccc2)C1 ZINC000293650388 427393897 /nfs/dbraw/zinc/39/38/97/427393897.db2.gz MZLARGOGEMVRJL-VQIMIIECSA-N 2 0 324.472 2.828 20 0 DFADRP C[NH+](C)[C@H]1CCC[C@@H]([NH2+]C2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000297305636 427395284 /nfs/dbraw/zinc/39/52/84/427395284.db2.gz BIBFVMIZBCIBEY-AEFFLSMTSA-N 3 0 302.466 2.513 20 0 DFADRP CCC[C@@](C)([NH3+])C(=O)Nc1cc(C[NH3+])cc(C(F)(F)F)c1 ZINC000263073103 427407899 /nfs/dbraw/zinc/40/78/99/427407899.db2.gz ZXTGHIZMBRKLRR-CYBMUJFWSA-N 2 0 303.328 2.620 20 0 DFADRP C[C@@H]1CN(Cc2ccccc2)C[C@H]1[NH2+]Cc1ccc2c[nH+]cn2c1 ZINC000297514164 427413605 /nfs/dbraw/zinc/41/36/05/427413605.db2.gz MNEYACUVZHSGMP-OXQOHEQNSA-N 2 0 320.440 2.944 20 0 DFADRP Cn1cc([C@H](c2cccc(F)c2)[N@H+](C)CC2CC[NH2+]CC2)cn1 ZINC000262303499 427355046 /nfs/dbraw/zinc/35/50/46/427355046.db2.gz XVUXUAWFNNRKKQ-SFHVURJKSA-N 2 0 316.424 2.580 20 0 DFADRP C[NH+](C)CCCOc1ccc(C[NH2+][C@H]2CCOC2(C)C)cc1 ZINC000293565232 427364656 /nfs/dbraw/zinc/36/46/56/427364656.db2.gz DDKUEMQSBZLHHM-KRWDZBQOSA-N 2 0 306.450 2.674 20 0 DFADRP CCCC[N@H+](C)CCNC(=O)c1ccc(C[NH+]2CCCC2)cc1 ZINC000338536711 427365794 /nfs/dbraw/zinc/36/57/94/427365794.db2.gz PTIWRGWAPQVBBO-UHFFFAOYSA-N 2 0 317.477 2.744 20 0 DFADRP C[C@@H](CCO)CC[NH2+][C@@H](C)c1cccc(OCC[NH+](C)C)c1 ZINC000297225228 427365981 /nfs/dbraw/zinc/36/59/81/427365981.db2.gz HMWHRQCIVOPABJ-CVEARBPZSA-N 2 0 308.466 2.686 20 0 DFADRP Cc1nccn1CC[N@@H+]1C[C@H](c2ccccc2)[C@H]2COCC[C@H]21 ZINC000286178753 427447673 /nfs/dbraw/zinc/44/76/73/427447673.db2.gz XBAFLDCNOIAEPD-GUDVDZBRSA-N 2 0 311.429 2.696 20 0 DFADRP C[C@@H](CC[NH2+]C1CCN(c2cc[nH+]cc2)CC1)[NH+]1CCCCC1 ZINC000297762016 427447738 /nfs/dbraw/zinc/44/77/38/427447738.db2.gz UZIHCOJYIXNNKI-KRWDZBQOSA-N 3 0 316.493 2.905 20 0 DFADRP C[C@@H](C[NH2+][C@@H](C)c1ccc(NC(=O)NC2CC2)cc1)C[NH+](C)C ZINC000293824169 427450247 /nfs/dbraw/zinc/45/02/47/427450247.db2.gz WFXFLTZEVQNURH-KBPBESRZSA-N 2 0 318.465 2.819 20 0 DFADRP C[C@H](NC1CC[NH+](C2CC2)CC1)[C@@H](c1ccccc1)[NH+](C)C ZINC000297814371 427462335 /nfs/dbraw/zinc/46/23/35/427462335.db2.gz YIVIUPMTSUTFGS-KXBFYZLASA-N 2 0 301.478 2.894 20 0 DFADRP C=Cn1cc(CN[C@@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)cn1 ZINC000278857333 427479448 /nfs/dbraw/zinc/47/94/48/427479448.db2.gz LRSGNGAANJOXPN-QFBILLFUSA-N 2 0 310.445 2.984 20 0 DFADRP CC(C)C[NH+]1CCN([C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000271284199 427481950 /nfs/dbraw/zinc/48/19/50/427481950.db2.gz OOKCKZXCRWIULF-LJQANCHMSA-N 2 0 301.478 2.535 20 0 DFADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1ccnc(N)c1 ZINC000278871989 427484424 /nfs/dbraw/zinc/48/44/24/427484424.db2.gz OEMSPDADHQYDKV-QAPCUYQASA-N 2 0 310.445 2.664 20 0 DFADRP C[C@H]1C[N@H+](CCC[NH2+][C@@H]2CCc3cc(F)ccc32)CCCO1 ZINC000278363083 427429877 /nfs/dbraw/zinc/42/98/77/427429877.db2.gz BLWYNIWRVGCSTN-KBXCAEBGSA-N 2 0 306.425 2.904 20 0 DFADRP C[N@@H+]1CCC[C@]2(CC[NH+](CCCc3ccc4c(c3)CCO4)C2)C1 ZINC000293778165 427432911 /nfs/dbraw/zinc/43/29/11/427432911.db2.gz ZBDZWDXGABQHCU-FQEVSTJZSA-N 2 0 314.473 2.972 20 0 DFADRP C[C@@H]([NH2+]CC1CC[NH+](C2CC2)CC1)c1ccc2c(c1)OCO2 ZINC000278409909 427434397 /nfs/dbraw/zinc/43/43/97/427434397.db2.gz HNCRHSTZEMSTSG-CYBMUJFWSA-N 2 0 302.418 2.940 20 0 DFADRP C[C@@H]1CC[N@H+](C[C@H](O)c2ccccc2F)C[C@H]1n1ccnc1 ZINC000271196482 427443021 /nfs/dbraw/zinc/44/30/21/427443021.db2.gz DPJPOIYMZQVVLA-XYPHTWIQSA-N 2 0 303.381 2.639 20 0 DFADRP CC(C)Cc1cccc([C@H](C)[NH2+]CC2(O)CC[NH+](C)CC2)c1 ZINC000286176511 427447295 /nfs/dbraw/zinc/44/72/95/427447295.db2.gz QQYSPTBXLZBSDD-INIZCTEOSA-N 2 0 304.478 2.992 20 0 DFADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+]C(C2CCC2)C2CCC2)CC1 ZINC000338791781 427491683 /nfs/dbraw/zinc/49/16/83/427491683.db2.gz KXENKSYHZCXAAG-INIZCTEOSA-N 2 0 307.526 2.818 20 0 DFADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]CC1([C@@H](O)c2ccccc2)CC1 ZINC000271479736 427554492 /nfs/dbraw/zinc/55/44/92/427554492.db2.gz IUXKNURTFXUUKC-AHCXZYCDSA-N 2 0 302.462 2.819 20 0 DFADRP c1ccc2c(c1)C[C@@H]1[C@@H]([NH2+]C3CCN(c4cc[nH+]cc4)CC3)[C@H]21 ZINC000298019100 427501912 /nfs/dbraw/zinc/50/19/12/427501912.db2.gz DLSLPOFMMZPBCS-XUVXKRRUSA-N 2 0 305.425 2.978 20 0 DFADRP c1ccc(N2CC[C@@H]([NH2+]C3CCN(c4cc[nH+]cc4)CC3)C2)cc1 ZINC000294121041 427554676 /nfs/dbraw/zinc/55/46/76/427554676.db2.gz DQBLXWKMBRKETE-GOSISDBHSA-N 2 0 322.456 2.919 20 0 DFADRP C[C@H](CN1CCC[C@H](C)C1)[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000298233395 427541185 /nfs/dbraw/zinc/54/11/85/427541185.db2.gz BMVBLQNSDKCBEP-DLBZAZTESA-N 2 0 316.493 2.760 20 0 DFADRP Cc1cccc2nc(C[NH2+]C3CCN(c4cc[nH+]cc4)CC3)cn21 ZINC000298231866 427542775 /nfs/dbraw/zinc/54/27/75/427542775.db2.gz BKKMWJIPANPYSI-UHFFFAOYSA-N 2 0 321.428 2.796 20 0 DFADRP C[C@H]([NH2+][C@H]1CCO[C@@H](c2cncn2C)C1)c1cncc(F)c1 ZINC000279065565 427546886 /nfs/dbraw/zinc/54/68/86/427546886.db2.gz ZQJBBQORFXIPGE-HZUKXOBISA-N 2 0 304.369 2.525 20 0 DFADRP CC[NH+](CC)CCOc1ccc(C[NH2+][C@@H]2CCOC[C@@H]2C)cc1 ZINC000192479435 427548300 /nfs/dbraw/zinc/54/83/00/427548300.db2.gz UNEWATGAHRYCPQ-QFBILLFUSA-N 2 0 320.477 2.922 20 0 DFADRP Cc1ccnc(C)c1NC(=O)NC[C@H]1CC[N@@H+](CC(C)C)C1 ZINC000287455910 427615945 /nfs/dbraw/zinc/61/59/45/427615945.db2.gz ILEVSRDFZMBXGO-OAHLLOKOSA-N 2 0 304.438 2.798 20 0 DFADRP Cc1cc(NC2CCN(CC[NH+](C)C)CC2)c2ccccc2[nH+]1 ZINC000298471206 427621793 /nfs/dbraw/zinc/62/17/93/427621793.db2.gz PXKKCVOWODJHQT-UHFFFAOYSA-N 2 0 312.461 2.981 20 0 DFADRP CC(C)[NH+]1CCC([N@H+](C)CCC(=O)Nc2cccc(F)c2)CC1 ZINC000263757853 427560490 /nfs/dbraw/zinc/56/04/90/427560490.db2.gz XQKLGDJXSLNCLM-UHFFFAOYSA-N 2 0 321.440 2.959 20 0 DFADRP CCc1oc(CN(C)[C@@H]2CC[N@@H+](CC)C[C@H]2C)cc1C(=O)OC ZINC000338944960 427576133 /nfs/dbraw/zinc/57/61/33/427576133.db2.gz PFOBWQSGGMGVFK-CZUORRHYSA-N 2 0 322.449 2.791 20 0 DFADRP CN(C)[C@H](C[NH2+]C1CCN(c2cc[nH+]cc2)CC1)c1ccco1 ZINC000298345156 427577845 /nfs/dbraw/zinc/57/78/45/427577845.db2.gz JKYCDWVVAXISBL-QGZVFWFLSA-N 2 0 314.433 2.536 20 0 DFADRP c1ccc(C[N@@H+]2C[C@@H]3CC[C@H]([NH2+][C@H]4CCCOC4)[C@@H]3C2)cc1 ZINC000287335764 427580597 /nfs/dbraw/zinc/58/05/97/427580597.db2.gz MQVDOLPGWFWASM-OKYOBFRVSA-N 2 0 300.446 2.666 20 0 DFADRP CCN(CC)C(=O)C[C@@H](C)[NH2+]CCC[N@H+](C)Cc1ccccc1 ZINC000263840510 427585730 /nfs/dbraw/zinc/58/57/30/427585730.db2.gz PYAOADRKEAZSSX-QGZVFWFLSA-N 2 0 319.493 2.745 20 0 DFADRP CC[C@@H](O)C[N@@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000339008968 427623590 /nfs/dbraw/zinc/62/35/90/427623590.db2.gz DOGLRPMVCKUDJR-RTBURBONSA-N 2 0 302.462 2.745 20 0 DFADRP CC(C)[NH+]1CCN(CCC[N@H+](C)CCCc2ccccc2)CC1 ZINC000192721296 427595267 /nfs/dbraw/zinc/59/52/67/427595267.db2.gz DBXJEOHHWCLUTG-UHFFFAOYSA-N 2 0 317.521 2.967 20 0 DFADRP CC(C)[NH+]1CCN(CCC[N@H+](C)CCc2ccccc2)CC1 ZINC000192722898 427596983 /nfs/dbraw/zinc/59/69/83/427596983.db2.gz CUPPWGZPYQLZBL-UHFFFAOYSA-N 2 0 303.494 2.577 20 0 DFADRP Cc1ccc([C@@H](O)C[NH2+]C2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC000294247265 427597638 /nfs/dbraw/zinc/59/76/38/427597638.db2.gz PSMWHMNIHXHSAR-IBGZPJMESA-N 2 0 311.429 2.682 20 0 DFADRP CC(C)[NH+]1CCC([NH2+]C2CCN(c3cc[nH+]cc3)CC2)CC1 ZINC000294269265 427606405 /nfs/dbraw/zinc/60/64/05/427606405.db2.gz ROVASZQKPAAJBU-UHFFFAOYSA-N 3 0 302.466 2.513 20 0 DFADRP Cc1cccc2c(N[C@H](C)CN3CC[NH+](C)CC3)c(C)c[nH+]c12 ZINC000185302239 427628624 /nfs/dbraw/zinc/62/86/24/427628624.db2.gz FQGGWADVICERJI-MRXNPFEDSA-N 2 0 312.461 2.899 20 0 DFADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1[NH2+]C[C@](C)(O)c1cccc(Cl)c1 ZINC000185309151 427629435 /nfs/dbraw/zinc/62/94/35/427629435.db2.gz NJHNSADWEJUFBN-GFOFROLCSA-N 2 0 310.869 2.866 20 0 DFADRP C[C@](O)(C[NH2+]C1CCN(c2cc[nH+]cc2)CC1)c1cccs1 ZINC000294339937 427630779 /nfs/dbraw/zinc/63/07/79/427630779.db2.gz YIVMTDRJSPSRHS-KRWDZBQOSA-N 2 0 317.458 2.609 20 0 DFADRP c1ccc(C[NH+]2CC[C@H](CN[C@@H]3CC[N@@H+]4CCC[C@@H]4C3)C2)cc1 ZINC000192921109 427634357 /nfs/dbraw/zinc/63/43/57/427634357.db2.gz XSQFSWRZQWDWOY-VAMGGRTRSA-N 2 0 313.489 2.725 20 0 DFADRP CC[N@H+](C)C[C@@H]1CC[NH+](C[C@H](O)Cc2cccc(Cl)c2)C1 ZINC000287550493 427635143 /nfs/dbraw/zinc/63/51/43/427635143.db2.gz AQYLWWUHHPEZAK-DOTOQJQBSA-N 2 0 310.869 2.517 20 0 DFADRP CCCC[NH+]1CCC(NC(=O)CC2(C[NH3+])CCCCC2)CC1 ZINC000185343492 427635344 /nfs/dbraw/zinc/63/53/44/427635344.db2.gz MSGQHTHSXMIHGD-UHFFFAOYSA-N 2 0 309.498 2.666 20 0 DFADRP CCC[C@H]([NH2+]C[C@H](C)CN1CC[NH+](CC)CC1)c1cccnc1 ZINC000185344880 427635719 /nfs/dbraw/zinc/63/57/19/427635719.db2.gz XBOUFVHZPSGLQM-HKUYNNGSSA-N 2 0 318.509 2.786 20 0 DFADRP C[NH+](C)Cc1ccccc1CNC(=O)CC1(C[NH3+])CCCCC1 ZINC000185354076 427640379 /nfs/dbraw/zinc/64/03/79/427640379.db2.gz IEEQHZAJQPXPCF-UHFFFAOYSA-N 2 0 317.477 2.664 20 0 DFADRP COCc1ccc(C[N@@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@H]32)cc1 ZINC000339042878 427642868 /nfs/dbraw/zinc/64/28/68/427642868.db2.gz CEPPVBZOWPIELR-IPMKNSEASA-N 2 0 318.461 2.517 20 0 DFADRP C[C@@H]1C[C@H]([NH2+]Cc2nnc(C3CC[NH2+]CC3)[nH]2)CC(C)(C)C1 ZINC000333554743 427647833 /nfs/dbraw/zinc/64/78/33/427647833.db2.gz JZHWLSUMCLBIPY-OCCSQVGLSA-N 2 0 305.470 2.576 20 0 DFADRP C([NH2+][C@H]1CCCC12CCCCC2)c1nnc(C2CC[NH2+]CC2)[nH]1 ZINC000333559871 427648158 /nfs/dbraw/zinc/64/81/58/427648158.db2.gz KTSUGKVYFQZFAY-HNNXBMFYSA-N 2 0 317.481 2.864 20 0 DFADRP CC[NH+]1CCN(CCC[NH2+]Cc2sccc2Cl)CC1 ZINC000193003336 427650115 /nfs/dbraw/zinc/65/01/15/427650115.db2.gz XRIUTMABEDPKNY-UHFFFAOYSA-N 2 0 301.887 2.519 20 0 DFADRP C[C@H]([NH2+]Cc1nnc(C2CC[NH2+]CC2)[nH]1)[C@@H]1CCCC[C@H]1C ZINC000333576717 427651722 /nfs/dbraw/zinc/65/17/22/427651722.db2.gz NFIHSRMNLPDRNZ-VNHYZAJKSA-N 2 0 305.470 2.576 20 0 DFADRP Cc1nn(C)c2sc([C@H](C)[NH2+]CC3=CC[N@H+](C)CC3)cc12 ZINC000287610423 427652486 /nfs/dbraw/zinc/65/24/86/427652486.db2.gz JDMNIQBJUPBEHS-LBPRGKRZSA-N 2 0 304.463 2.856 20 0 DFADRP C[C@@H]1CC2(C[N@@H+]1Cc1nc(-c3cccs3)no1)CC[NH2+]CC2 ZINC000333601125 427656685 /nfs/dbraw/zinc/65/66/85/427656685.db2.gz QLBRFAGXWLLEQN-GFCCVEGCSA-N 2 0 318.446 2.762 20 0 DFADRP C[C@@H]1CC(C)(C)C[C@@H]1[NH2+]Cc1ccncc1OCC[NH+](C)C ZINC000342413697 272007475 /nfs/dbraw/zinc/00/74/75/272007475.db2.gz IWTMZBCFNXLBOV-ZBFHGGJFSA-N 2 0 305.466 2.936 20 0 DFADRP CC(C)[N@@H+]1[C@@H]2CC[C@H]1CN(C(=O)[C@@H](C)[NH+]1CCCCCC1)CC2 ZINC000342561505 272024517 /nfs/dbraw/zinc/02/45/17/272024517.db2.gz BEFWRSKVXIAZCR-KURKYZTESA-N 2 0 321.509 2.725 20 0 DFADRP CC1(C)CC[C@@H]1[NH2+]CCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000342663674 272038605 /nfs/dbraw/zinc/03/86/05/272038605.db2.gz JOOYBIQHDOSUOO-IBGZPJMESA-N 2 0 315.505 2.973 20 0 DFADRP Cn1cc(C[NH+]2CCC(C[NH+](C)C)CC2)c(-c2ccccc2)n1 ZINC000342679086 272040765 /nfs/dbraw/zinc/04/07/65/272040765.db2.gz DLIAQNRDTXGWCX-UHFFFAOYSA-N 2 0 312.461 2.861 20 0 DFADRP Cc1ccccc1C[C@H]([NH2+]C[C@H](O)C[NH+]1CCCCC1)C1CC1 ZINC000342687607 272041425 /nfs/dbraw/zinc/04/14/25/272041425.db2.gz RTXHPOBPCYSTDN-PMACEKPBSA-N 2 0 316.489 2.753 20 0 DFADRP CCC1CC([NH2+]Cc2ccccc2C[NH+]2CCC(O)CC2)C1 ZINC000342689220 272042493 /nfs/dbraw/zinc/04/24/93/272042493.db2.gz NGLCRIZWFLUENH-UHFFFAOYSA-N 2 0 302.462 2.922 20 0 DFADRP CC(C)[C@H](C(=O)N1C[C@@H]([NH+]2CCCC2)C[C@H]1C)[NH+]1CCCCC1 ZINC000342749292 272049923 /nfs/dbraw/zinc/04/99/23/272049923.db2.gz YSGWLNHASVJWIP-FGTMMUONSA-N 2 0 321.509 2.582 20 0 DFADRP C[C@H]1CC(C)(C)C[C@H]1[NH2+]C1CCN(C2CC[NH+](C)CC2)CC1 ZINC000193128163 427669416 /nfs/dbraw/zinc/66/94/16/427669416.db2.gz KMGIPUJUUVDUKY-MAUKXSAKSA-N 2 0 307.526 2.959 20 0 DFADRP C[C@H]1COCC[C@@H]1C[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000287678455 427670017 /nfs/dbraw/zinc/67/00/17/427670017.db2.gz WDSFGKDPFBKSMQ-PKOBYXMFSA-N 2 0 316.489 2.956 20 0 DFADRP C[NH+](C)C1CCN(CC[NH2+]Cc2sccc2Cl)CC1 ZINC000193138636 427671846 /nfs/dbraw/zinc/67/18/46/427671846.db2.gz HIRQVUZQHRQRNF-UHFFFAOYSA-N 2 0 301.887 2.517 20 0 DFADRP CCC[C@H](C(=O)N1CCC[C@H]([NH+]2[C@@H](C)CC[C@@H]2C)C1)[NH+](C)C ZINC000343207941 272096169 /nfs/dbraw/zinc/09/61/69/272096169.db2.gz BLKYQEUKLADXNK-LUKYLMHMSA-N 2 0 309.498 2.581 20 0 DFADRP CCSc1cccc(C[NH2+][C@H](C)CN2CC[NH+](C)CC2)c1 ZINC000185524966 427666990 /nfs/dbraw/zinc/66/69/90/427666990.db2.gz GQIUOIBAMBPDGW-OAHLLOKOSA-N 2 0 307.507 2.524 20 0 DFADRP Cc1cc(N(C)CCN2CC[NH+](Cc3ccccc3)CC2)cc[nH+]1 ZINC000343266554 272108853 /nfs/dbraw/zinc/10/88/53/272108853.db2.gz SJAYRVXZECXWCN-UHFFFAOYSA-N 2 0 324.472 2.644 20 0 DFADRP CCC[C@@H](C)NC(=O)[C@H](C)[NH+]1CCC(C[NH+](CC)CC)CC1 ZINC000343573120 272173022 /nfs/dbraw/zinc/17/30/22/272173022.db2.gz AWEGAPGNLPKTPP-CVEARBPZSA-N 2 0 311.514 2.734 20 0 DFADRP CC[NH+](CC)CC1CC[NH+](Cc2ccc(C(=O)OC)o2)CC1 ZINC000343576508 272174172 /nfs/dbraw/zinc/17/41/72/272174172.db2.gz HVTDNAZKRILVHJ-UHFFFAOYSA-N 2 0 308.422 2.620 20 0 DFADRP C[C@H](Cc1cnccn1)[NH2+][C@@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000343780637 272217217 /nfs/dbraw/zinc/21/72/17/272217217.db2.gz AHMSIBMOPSQNRX-SOLBZPMBSA-N 2 0 310.445 2.833 20 0 DFADRP CCC[NH+]1CCN(c2ccccc2C[NH2+]C[C@H](C)COC)CC1 ZINC000343857998 272230222 /nfs/dbraw/zinc/23/02/22/272230222.db2.gz AAYHFABRJHUQFB-KRWDZBQOSA-N 2 0 319.493 2.591 20 0 DFADRP CCC[NH+]1CCN(c2ccccc2C[NH2+]C[C@@H](C)COC)CC1 ZINC000343858004 272230784 /nfs/dbraw/zinc/23/07/84/272230784.db2.gz AAYHFABRJHUQFB-QGZVFWFLSA-N 2 0 319.493 2.591 20 0 DFADRP Cc1cccc(C)c1C[N@@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000343922054 272238412 /nfs/dbraw/zinc/23/84/12/272238412.db2.gz KNNPWYUJHCMDJP-QUCCMNQESA-N 2 0 315.505 2.761 20 0 DFADRP C[C@@H]1CC[C@@H]([NH2+]Cc2ccncc2OCC[NH+](C)C)[C@H](C)C1 ZINC000343948325 272242631 /nfs/dbraw/zinc/24/26/31/272242631.db2.gz XYDHIUNJYYNANH-BFYDXBDKSA-N 2 0 305.466 2.936 20 0 DFADRP C[C@@H]1CC[C@@H]([NH2+]Cc2ccncc2OCC[NH+](C)C)[C@@H](C)C1 ZINC000343948326 272242714 /nfs/dbraw/zinc/24/27/14/272242714.db2.gz XYDHIUNJYYNANH-HLLBOEOZSA-N 2 0 305.466 2.936 20 0 DFADRP C[C@@H](C[NH2+]CCCc1ccc2c(c1)CCO2)C[NH+]1CCCC1 ZINC000193272276 427680740 /nfs/dbraw/zinc/68/07/40/427680740.db2.gz UWZGCIGAHRQECO-INIZCTEOSA-N 2 0 302.462 2.876 20 0 DFADRP C[C@@H](C(=O)NC[C@]1([NH+](C)C)CCC[C@@H](C)C1)[NH+]1CCCCCC1 ZINC000344027204 272251206 /nfs/dbraw/zinc/25/12/06/272251206.db2.gz DOWXYDBREICHOR-AOIWGVFYSA-N 2 0 323.525 2.878 20 0 DFADRP C[C@H](C[NH2+][C@H]1CCCc2ccc(F)cc21)CN1CC[NH+](C)CC1 ZINC000344172904 272279876 /nfs/dbraw/zinc/27/98/76/272279876.db2.gz PDSJDJGOEOUWDP-BEFAXECRSA-N 2 0 319.468 2.676 20 0 DFADRP CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC000344243732 272296248 /nfs/dbraw/zinc/29/62/48/272296248.db2.gz VSYAONYXTUKSJT-BBWFWOEESA-N 2 0 323.525 2.734 20 0 DFADRP CC(C)n1nccc1[C@@H]1OCC[C@@H]1[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000344248415 272296640 /nfs/dbraw/zinc/29/66/40/272296640.db2.gz LDFCBJQUYJOXDY-XLMAVXFVSA-N 2 0 318.465 2.510 20 0 DFADRP C[C@@H](C(=O)N1CC[NH+](C2CCC2)C[C@H](C)C1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000344719708 272360352 /nfs/dbraw/zinc/36/03/52/272360352.db2.gz GAFDADRLVPMXEQ-NXOAAHMSSA-N 2 0 321.509 2.581 20 0 DFADRP C[C@H](C(=O)N1CC[N@@H+](C2CCC2)C[C@@H](C)C1)[NH+]1CCCCCC1 ZINC000344740258 272364204 /nfs/dbraw/zinc/36/42/04/272364204.db2.gz LCSPAAIDYCLGOZ-IAGOWNOFSA-N 2 0 321.509 2.584 20 0 DFADRP [NH3+][C@@H]1C[C@@H](NCC2([NH3+])C3CC4CC(C3)CC2C4)c2ccccc21 ZINC000333758385 427685507 /nfs/dbraw/zinc/68/55/07/427685507.db2.gz AEAQGAZLFNIONQ-STBXFIPGSA-N 2 0 311.473 2.874 20 0 DFADRP [NH3+][C@@H]1C[C@H](NCC2([NH3+])C3CC4CC(C3)CC2C4)c2ccccc21 ZINC000333758370 427685530 /nfs/dbraw/zinc/68/55/30/427685530.db2.gz AEAQGAZLFNIONQ-KAWOTCIDSA-N 2 0 311.473 2.874 20 0 DFADRP Cc1ccccc1NC(=O)C[C@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000295103113 427693520 /nfs/dbraw/zinc/69/35/20/427693520.db2.gz VGOLUDVCXXGYIU-XYTVBORESA-N 2 0 315.461 2.927 20 0 DFADRP Cc1ccc2[nH+]ccc(N3CC[NH+](C[C@@H]4CCOC4)CC3)c2c1 ZINC000185759245 427700840 /nfs/dbraw/zinc/70/08/40/427700840.db2.gz HPVDSBGBUZHDAF-INIZCTEOSA-N 2 0 311.429 2.702 20 0 DFADRP C[C@@H](Cn1cccn1)[NH2+]CC1CC[NH+](Cc2ccccc2)CC1 ZINC000345175397 272421957 /nfs/dbraw/zinc/42/19/57/272421957.db2.gz WSIKSINIWJIRSM-KRWDZBQOSA-N 2 0 312.461 2.773 20 0 DFADRP COCC[N@H+](C)CCC[NH2+][C@@H](C)c1cc2c(C)nn(C)c2s1 ZINC000287864803 427706445 /nfs/dbraw/zinc/70/64/45/427706445.db2.gz XQEUJNQDBXEKIW-ZDUSSCGKSA-N 2 0 324.494 2.562 20 0 DFADRP CC[NH+](CC)CCC[NH2+][C@@H](C)C1CCN(CC(F)(F)F)CC1 ZINC000339163659 427711876 /nfs/dbraw/zinc/71/18/76/427711876.db2.gz DSUHLHOTMFQMLT-AWEZNQCLSA-N 2 0 323.447 2.971 20 0 DFADRP COC(=O)CCC[C@@H]1CCC[C@@H]([NH2+]CCC[NH+]2CCCC2)C1 ZINC000339175332 427718082 /nfs/dbraw/zinc/71/80/82/427718082.db2.gz XCPVFNWSSBZAEV-DLBZAZTESA-N 2 0 310.482 2.964 20 0 DFADRP COC(=O)[C@H]1CC[C@@H]([NH2+]C2CC[NH+](C3CCCCC3)CC2)C1 ZINC000193883649 427721010 /nfs/dbraw/zinc/72/10/10/427721010.db2.gz AXLOVYAPFWOGTD-GOEBONIOSA-N 2 0 308.466 2.715 20 0 DFADRP COC(=O)CCC[C@H]1CCC[C@H]([NH2+]CC2=CC[N@H+](C)CC2)C1 ZINC000339339236 427756575 /nfs/dbraw/zinc/75/65/75/427756575.db2.gz DZLWNOULQWAEIB-WBVHZDCISA-N 2 0 308.466 2.740 20 0 DFADRP CC(C)(C)[NH+]1CCC([NH2+][C@@H]2CCO[C@@H](C(F)(F)F)C2)CC1 ZINC000336847908 427757258 /nfs/dbraw/zinc/75/72/58/427757258.db2.gz GVIDYMAFMJFNJA-CHWSQXEVSA-N 2 0 308.388 2.949 20 0 DFADRP Cc1nccn1CC[NH+]1CCC(CCC[NH+]2CCCC2)CC1 ZINC000336857328 427761565 /nfs/dbraw/zinc/76/15/65/427761565.db2.gz RNOMVPPIFHELTN-UHFFFAOYSA-N 2 0 304.482 2.780 20 0 DFADRP CC(C)[C@@H]([NH3+])CC[N@H+](C)Cc1ccc(Cl)cc1-n1cncn1 ZINC000339407401 427768949 /nfs/dbraw/zinc/76/89/49/427768949.db2.gz KRLLXEDEDCXHTF-HNNXBMFYSA-N 2 0 321.856 2.726 20 0 DFADRP C[N@@H+]1CCC[C@@]2(CC[NH+](Cc3cccc(-n4cccn4)c3)C2)C1 ZINC000339436000 427774822 /nfs/dbraw/zinc/77/48/22/427774822.db2.gz AFMUJHGGWAZZNV-LJQANCHMSA-N 2 0 310.445 2.790 20 0 DFADRP Cc1nccnc1CC[NH2+][C@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000339527526 427788666 /nfs/dbraw/zinc/78/86/66/427788666.db2.gz DSWPAIUXYOUESI-AEFFLSMTSA-N 2 0 310.445 2.753 20 0 DFADRP C[C@H](C(=O)N1CCC[N@H+](CC2CCC2)CC1)[NH+]1CCCCCC1 ZINC000339199817 427728251 /nfs/dbraw/zinc/72/82/51/427728251.db2.gz BSDPZCVFSOKNAN-QGZVFWFLSA-N 2 0 321.509 2.585 20 0 DFADRP COc1ccsc1[C@H](C)[NH2+]CCCN1C[C@@H](C)O[C@@H](C)C1 ZINC000186091740 427746857 /nfs/dbraw/zinc/74/68/57/427746857.db2.gz BQNGGUWDSALNBU-MJBXVCDLSA-N 2 0 312.479 2.907 20 0 DFADRP Cc1ccc(C)c2c1CCC[C@@H]2[NH2+]CCCN1CC[NH+](C)CC1 ZINC000186087629 427747166 /nfs/dbraw/zinc/74/71/66/427747166.db2.gz MMSPSSVRYBRUFF-IBGZPJMESA-N 2 0 315.505 2.908 20 0 DFADRP CC[C@H]([NH2+]C[C@@H]1CC[N@H+](Cc2ccccc2)C1)[C@H]1CCOC1 ZINC000336725083 427750553 /nfs/dbraw/zinc/75/05/53/427750553.db2.gz XPTKUZJYYSPYDE-FHWLQOOXSA-N 2 0 302.462 2.913 20 0 DFADRP CC[C@H]1CN(c2cc(C)[nH+]c3ccccc32)CC[N@@H+]1C[C@H](C)O ZINC000301410680 427795009 /nfs/dbraw/zinc/79/50/09/427795009.db2.gz OWALKQRGVKQDLB-HOTGVXAUSA-N 2 0 313.445 2.825 20 0 DFADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)[C@H]2CCCC[C@]2(C)[NH3+])C1 ZINC000345745831 272532310 /nfs/dbraw/zinc/53/23/10/272532310.db2.gz ATFSPKUUVRFTFF-NTDBWNAOSA-N 2 0 323.525 2.768 20 0 DFADRP C[C@@H]([NH2+]CCc1ccc(OCC[NH+](C)C)cc1)[C@@]1(C)CCCO1 ZINC000340479139 427858367 /nfs/dbraw/zinc/85/83/67/427858367.db2.gz WIPLZLSJZNWYFE-VQIMIIECSA-N 2 0 320.477 2.717 20 0 DFADRP CC[C@H](C(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccccc1)[NH+](CC)CC ZINC000340377578 427835128 /nfs/dbraw/zinc/83/51/28/427835128.db2.gz UMESBHRFFYIYAX-KURKYZTESA-N 2 0 317.477 2.668 20 0 DFADRP C[N@@H+]1CCC[C@@H]1CC[NH+]1CCC[C@]1(CO)Cc1ccccc1 ZINC000355663894 427839108 /nfs/dbraw/zinc/83/91/08/427839108.db2.gz DSUWSLAAKUINGS-RTBURBONSA-N 2 0 302.462 2.540 20 0 DFADRP C[C@@H]([NH2+]CCc1ccc(OCC[NH+](C)C)cc1)[C@]1(C)CCCO1 ZINC000340479136 427858661 /nfs/dbraw/zinc/85/86/61/427858661.db2.gz WIPLZLSJZNWYFE-APWZRJJASA-N 2 0 320.477 2.717 20 0 DFADRP CC(C)OC[C@H](C)[NH2+]Cc1ccccc1C[N@@H+]1CCC[C@@H]1CO ZINC000337321643 427843728 /nfs/dbraw/zinc/84/37/28/427843728.db2.gz ZOYYTHCKJYASJT-QFBILLFUSA-N 2 0 320.477 2.546 20 0 DFADRP c1ccc(C[N@@H+]2CC[C@@H](N3CCC[C@H]([NH+]4CCCC4)C3)C2)cc1 ZINC000355686046 427847858 /nfs/dbraw/zinc/84/78/58/427847858.db2.gz YSMQEZNTXVTMAI-VQTJNVASSA-N 2 0 313.489 2.821 20 0 DFADRP C[C@H]1C[N@H+](C)CC[C@H]1[NH2+]CCc1cc(C(F)(F)F)ccn1 ZINC000340466777 427854088 /nfs/dbraw/zinc/85/40/88/427854088.db2.gz RJXBNJCNBFJVLJ-SMDDNHRTSA-N 2 0 301.356 2.573 20 0 DFADRP C[C@@H]1CCC[C@H]([NH2+]C[C@H](O)CN2CCc3ccccc3C2)[C@H]1C ZINC000340507651 427868656 /nfs/dbraw/zinc/86/86/56/427868656.db2.gz YSKUMIQWUBPSQZ-LPWQTFTOSA-N 2 0 316.489 2.820 20 0 DFADRP C[C@H]([NH2+]Cc1ccc(OCC[NH+](C)C)cc1)[C@@H]1CCCOC1 ZINC000355747837 427872559 /nfs/dbraw/zinc/87/25/59/427872559.db2.gz WVNFYOACAVLGAX-DOTOQJQBSA-N 2 0 306.450 2.532 20 0 DFADRP C[C@H]([NH2+]Cc1ccc(OCC[NH+](C)C)cc1)[C@H]1CCCOC1 ZINC000355747839 427873186 /nfs/dbraw/zinc/87/31/86/427873186.db2.gz WVNFYOACAVLGAX-RDJZCZTQSA-N 2 0 306.450 2.532 20 0 DFADRP CC[NH+](CC)[C@H](CNC(=O)c1ccc2c[nH+]cn2c1)CC(C)C ZINC000339930967 427877769 /nfs/dbraw/zinc/87/77/69/427877769.db2.gz DGZPUPUZWRUNLG-KRWDZBQOSA-N 2 0 316.449 2.821 20 0 DFADRP CC[NH+](CC)[C@H](CNC(=O)C[NH+]1[C@H](C)CC[C@H]1C)CC(C)C ZINC000345730925 427879447 /nfs/dbraw/zinc/87/94/47/427879447.db2.gz ZZRSWHCJGCJRAP-ZACQAIPSSA-N 2 0 311.514 2.732 20 0 DFADRP C[C@@H](CCNC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1)[NH+]1CCCCC1 ZINC000345758234 427891162 /nfs/dbraw/zinc/89/11/62/427891162.db2.gz XLWQXRYOEXMOHY-WMZOPIPTSA-N 2 0 321.509 2.774 20 0 DFADRP CCc1nc(C)cc(NC[C@@H]2CC[N@H+](CCc3ccccc3)C2)n1 ZINC000340025859 427902702 /nfs/dbraw/zinc/90/27/02/427902702.db2.gz VBAYBFLWGOSWAO-SFHVURJKSA-N 2 0 324.472 3.324 20 0 DFADRP CC[C@H](C(=O)NCC(C)(C)[N@@H+]1CCC[C@@H](C)C1)[NH+](CC)CC ZINC000345808978 427915553 /nfs/dbraw/zinc/91/55/53/427915553.db2.gz SYLCJXNFENRSID-HZPDHXFCSA-N 2 0 311.514 2.734 20 0 DFADRP CC1CC[NH+](CCCCNC(=O)[C@H]2CCCC[C@@]2(C)[NH3+])CC1 ZINC000345830519 427923552 /nfs/dbraw/zinc/92/35/52/427923552.db2.gz XQTIUOJTOMYERR-SJLPKXTDSA-N 2 0 309.498 2.522 20 0 DFADRP CC[N@H+](CCN[C@H]1CC[NH+](C)[C@H](c2ccccc2)C1)C1CC1 ZINC000340223303 427958770 /nfs/dbraw/zinc/95/87/70/427958770.db2.gz QLNDKMYAUNTWAY-HKUYNNGSSA-N 2 0 301.478 2.896 20 0 DFADRP Cc1nn(-c2ccccc2)cc1C[N@@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000346851273 272694418 /nfs/dbraw/zinc/69/44/18/272694418.db2.gz VOUWFJUJISYCOX-ZYSHUDEJSA-N 2 0 310.445 2.740 20 0 DFADRP CC1(C)CN(C[C@H]2CCC[NH2+]C2)CC[N@@H+]1Cc1ccccc1 ZINC000346855565 272695259 /nfs/dbraw/zinc/69/52/59/272695259.db2.gz ODZPGKGGYCTGDC-SFHVURJKSA-N 2 0 301.478 2.582 20 0 DFADRP CC1(C)OCC[C@@H]1[NH2+]Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000340238722 427963957 /nfs/dbraw/zinc/96/39/57/427963957.db2.gz JSRBRIVUKVCNNZ-SFHVURJKSA-N 2 0 318.461 2.818 20 0 DFADRP COc1cc2[nH+]ccc(N3C[C@@H](C)[N@H+](C)C[C@H]3C)c2cc1OC ZINC000413221355 427995559 /nfs/dbraw/zinc/99/55/59/427995559.db2.gz SZLKNLSHTPLFOI-CHWSQXEVSA-N 2 0 315.417 2.781 20 0 DFADRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+]Cc1ccsc1Cl ZINC000359677464 427968483 /nfs/dbraw/zinc/96/84/83/427968483.db2.gz LXCGYBFESGXVQY-GFCCVEGCSA-N 2 0 301.887 2.517 20 0 DFADRP FC(F)(F)c1ncc(CNCc2cnc3n2CCCC3)s1 ZINC000376727972 427987798 /nfs/dbraw/zinc/98/77/98/427987798.db2.gz HSOQXIPYTGCXIA-UHFFFAOYSA-N 2 0 316.352 2.985 20 0 DFADRP CC(C)CC[C@@H](O)C[NH+]1CCC2(C[C@@H]2C[N@H+](C)C2CC2)CC1 ZINC000369539740 427992023 /nfs/dbraw/zinc/99/20/23/427992023.db2.gz GJBIUZCKJMDESO-SJLPKXTDSA-N 2 0 308.510 2.980 20 0 DFADRP CCc1ccc([C@H](C)[NH2+][C@@H](CC(C)C)C(=O)NCC[NH+](C)C)o1 ZINC000347186097 272743967 /nfs/dbraw/zinc/74/39/67/272743967.db2.gz CTBNYLCULFMQAE-HOCLYGCPSA-N 2 0 323.481 2.585 20 0 DFADRP COCC[C@H]1CCC[C@@H]1[NH2+]CC(C)(C)N1CCC(OC)CC1 ZINC000337523766 427943545 /nfs/dbraw/zinc/94/35/45/427943545.db2.gz QQGWOGNKZDKMHC-WBVHZDCISA-N 2 0 312.498 2.671 20 0 DFADRP CC[N@@H+]1CCC[C@@H]1CN[C@H]1CC[NH+](C)[C@H](c2ccccc2)C1 ZINC000340180313 427947961 /nfs/dbraw/zinc/94/79/61/427947961.db2.gz HKNXPBOQXHJMFQ-OTWHNJEPSA-N 2 0 301.478 2.896 20 0 DFADRP CC[C@@H](C(=O)NC[C@H](c1ccccc1)[NH+](C)C)[NH+](CC)CC ZINC000345925559 427953047 /nfs/dbraw/zinc/95/30/47/427953047.db2.gz DCUSRHKZIQFCSO-DLBZAZTESA-N 2 0 305.466 2.526 20 0 DFADRP C[N@@H+](Cc1nc(-c2ccccc2)no1)C[C@@H]1CCc2nccn2C1 ZINC000369639492 428022568 /nfs/dbraw/zinc/02/25/68/428022568.db2.gz MTYWMBQFMXNXMR-AWEZNQCLSA-N 2 0 323.400 2.628 20 0 DFADRP CSC1(C[NH2+]C2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)CCC1 ZINC000356121831 428030685 /nfs/dbraw/zinc/03/06/85/428030685.db2.gz KSBMWDUACSBXEM-HZPDHXFCSA-N 2 0 312.523 2.630 20 0 DFADRP CC[NH+](CC)CCO[C@@H]1CC[N@H+](CC2(SC)CCC2)C1 ZINC000356137853 428037620 /nfs/dbraw/zinc/03/76/20/428037620.db2.gz PWVBYQLWZGWEBC-OAHLLOKOSA-N 2 0 300.512 2.705 20 0 DFADRP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+]1CC[C@H](OCC(C)C)C1 ZINC000346166485 428047410 /nfs/dbraw/zinc/04/74/10/428047410.db2.gz JLDLGYQDKCAYTA-SFHVURJKSA-N 2 0 314.433 2.823 20 0 DFADRP COC1CCC([N@H+](C)Cc2cn(-c3cc[nH+]cc3)nc2C)CC1 ZINC000346178553 428051911 /nfs/dbraw/zinc/05/19/11/428051911.db2.gz QGOVTQPAWKYNBG-UHFFFAOYSA-N 2 0 314.433 2.965 20 0 DFADRP C[C@H]([NH2+]C[C@@]1(O)CCN(C)C1)c1ccc(F)c2ccccc21 ZINC000340357741 427998184 /nfs/dbraw/zinc/99/81/84/427998184.db2.gz IDUSFJLXWHYDPE-UGSOOPFHSA-N 2 0 302.393 2.696 20 0 DFADRP C[C@@H]1[C@@H]([NH2+]CC2(CCO)CC2)CCCN1Cc1ccccc1 ZINC000340358334 427998597 /nfs/dbraw/zinc/99/85/97/427998597.db2.gz NMYSXLOTLZQAFN-AEFFLSMTSA-N 2 0 302.462 2.792 20 0 DFADRP CN1CC[C@H]([NH2+][C@@H]2CCC[C@@H]2CCO)C[C@@H]1c1ccccc1 ZINC000340360108 427998938 /nfs/dbraw/zinc/99/89/38/427998938.db2.gz YJNHEYSQPKXPBZ-QXCFHYIPSA-N 2 0 302.462 2.963 20 0 DFADRP COc1cccc(C[C@H](C)[NH2+]C2CC[NH+](C3CCC3)CC2)n1 ZINC000341204939 428013024 /nfs/dbraw/zinc/01/30/24/428013024.db2.gz KCDJCCCCSSPXKD-AWEZNQCLSA-N 2 0 303.450 2.628 20 0 DFADRP CC[N@@H+]1CCN(c2cc[nH+]c3cc(OC)c(OC)cc32)[C@H](C)C1 ZINC000413283996 428013000 /nfs/dbraw/zinc/01/30/00/428013000.db2.gz UJAVNALKNGJFQO-CYBMUJFWSA-N 2 0 315.417 2.782 20 0 DFADRP CC[C@@H](C(=O)N1CCC[C@@H]1C[NH+]1CCCCC1)[NH+](CC)CC ZINC000359788169 428019118 /nfs/dbraw/zinc/01/91/18/428019118.db2.gz DNZKUGUNDDWFKO-SJORKVTESA-N 2 0 309.498 2.584 20 0 DFADRP C[C@H]1C[N@H+](C)CC[C@H]1[NH2+]CC1(c2ccccc2)CCOCC1 ZINC000360037269 428127040 /nfs/dbraw/zinc/12/70/40/428127040.db2.gz JQSXHZMOYIWEOC-FUHWJXTLSA-N 2 0 302.462 2.665 20 0 DFADRP C[C@H](Cn1ccnc1)[NH2+][C@H](C)c1cccc(N2CCCC2=O)c1 ZINC000360035970 428127174 /nfs/dbraw/zinc/12/71/74/428127174.db2.gz DFYNWIZFMPXDOE-HUUCEWRRSA-N 2 0 312.417 2.749 20 0 DFADRP CC[NH+](CC)CCN(CC(C)C)C(=O)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000346213123 428074377 /nfs/dbraw/zinc/07/43/77/428074377.db2.gz JADOCCWFCPCIPQ-IAGOWNOFSA-N 2 0 311.514 2.543 20 0 DFADRP C[C@@H]1C[C@H](NC[C@H]2CC[NH+](C)[C@H]2c2ccccc2)CC[N@@H+]1C ZINC000369851616 428075727 /nfs/dbraw/zinc/07/57/27/428075727.db2.gz KFIOUIATGOGDEN-OWYHZJEWSA-N 2 0 301.478 2.752 20 0 DFADRP COC(=O)CC[NH+]1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000377195769 428080454 /nfs/dbraw/zinc/08/04/54/428080454.db2.gz GCUCDGQLWDWHHY-UHFFFAOYSA-N 2 0 316.445 2.538 20 0 DFADRP COC1(C[NH2+]Cc2cccc(OCC[NH+](C)C)c2)CCCC1 ZINC000359970188 428098905 /nfs/dbraw/zinc/09/89/05/428098905.db2.gz LDHUUVDANZJPQO-UHFFFAOYSA-N 2 0 306.450 2.676 20 0 DFADRP COC(C)(C)CC[NH+]1CCC(C[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000346279712 428106918 /nfs/dbraw/zinc/10/69/18/428106918.db2.gz NJCSUVYLZAXGMY-HZPDHXFCSA-N 2 0 312.498 2.623 20 0 DFADRP CCSCCC[NH2+][C@@H]1CC[N@H+](C[C@@H]2CCCO2)C[C@H]1C ZINC000360000372 428109737 /nfs/dbraw/zinc/10/97/37/428109737.db2.gz RRIXJRWSKWSYLH-OWCLPIDISA-N 2 0 300.512 2.609 20 0 DFADRP C[C@@H]([NH3+])[C@H]1CC[N@H+](CCOc2ccccc2C(F)(F)F)C1 ZINC000351859193 428114074 /nfs/dbraw/zinc/11/40/74/428114074.db2.gz FVLVIMAFKJOAPW-NEPJUHHUSA-N 2 0 302.340 2.753 20 0 DFADRP C[C@@H]([NH2+]C[C@@H]1CCC[N@@H+]1C1CCCCC1)C(C)(C)n1cncn1 ZINC000377394065 428120035 /nfs/dbraw/zinc/12/00/35/428120035.db2.gz SRVCSUKEHKLKLK-WBVHZDCISA-N 2 0 319.497 2.788 20 0 DFADRP CC[N@@H+]1CC[C@H]([NH+](C)CCc2ccc3c(c2)OCCO3)C[C@H]1C ZINC000360027745 428126422 /nfs/dbraw/zinc/12/64/22/428126422.db2.gz OEDUBXUFULEGOL-WBVHZDCISA-N 2 0 318.461 2.805 20 0 DFADRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@@H]1CCC[C@H]([C@H]2CCOC2)C1 ZINC000341401003 428063634 /nfs/dbraw/zinc/06/36/34/428063634.db2.gz KPJOZPLTZZVFHP-WNRNVDISSA-N 2 0 312.498 2.528 20 0 DFADRP C[C@@H]1C[N@H+](C)CC[C@@H]1NC[C@H](C1CC1)[NH+](C)Cc1ccccc1 ZINC000360040343 428131413 /nfs/dbraw/zinc/13/14/13/428131413.db2.gz UHYJHXGWALZUCE-LSTHTHJFSA-N 2 0 315.505 2.827 20 0 DFADRP CCN(C)c1ccc(C[N@H+](CCC[NH3+])CC2CCCC2)cn1 ZINC000352534380 428139521 /nfs/dbraw/zinc/13/95/21/428139521.db2.gz FZAKBJOMJJGNAK-UHFFFAOYSA-N 2 0 304.482 2.879 20 0 DFADRP C[C@H](O)C[N@H+](C)C1CC[NH+](CCCCc2ccccc2)CC1 ZINC000360058617 428139833 /nfs/dbraw/zinc/13/98/33/428139833.db2.gz XWFSMHJNJVNDEX-KRWDZBQOSA-N 2 0 304.478 2.786 20 0 DFADRP COC(=O)c1cc(C[N@H+](CCC[NH3+])CC2CCCC2)oc1C ZINC000352540122 428142044 /nfs/dbraw/zinc/14/20/44/428142044.db2.gz HLMPAJTYZKLUIS-UHFFFAOYSA-N 2 0 308.422 2.716 20 0 DFADRP COc1cc(C[N@@H+]2CCCC3(CC[NH+](C)CC3)C2)ccc1O ZINC000370151272 428143612 /nfs/dbraw/zinc/14/36/12/428143612.db2.gz ORIIESQSPWEBOM-UHFFFAOYSA-N 2 0 304.434 2.709 20 0 DFADRP Cc1cnn(C)c1CN(C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000377545365 428154761 /nfs/dbraw/zinc/15/47/61/428154761.db2.gz XKWUACCHTNRQDT-SFHVURJKSA-N 2 0 312.461 2.682 20 0 DFADRP C[C@H](O)c1ncc(CN2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)s1 ZINC000377549232 428154880 /nfs/dbraw/zinc/15/48/80/428154880.db2.gz KHHJETZCLOSMHX-WOSRLPQWSA-N 2 0 321.490 2.645 20 0 DFADRP CC[N@@H+]1CC[C@@H]([NH+](C)CCOCC(F)(F)C(F)F)C[C@@H]1C ZINC000346444925 428174931 /nfs/dbraw/zinc/17/49/31/428174931.db2.gz MLMRBDXGFMMXNH-NWDGAFQWSA-N 2 0 314.367 2.708 20 0 DFADRP C[N@H+](CCCOCc1ccccc1)C[C@@H]1CCn2ccnc2C1 ZINC000377625196 428176043 /nfs/dbraw/zinc/17/60/43/428176043.db2.gz HXVNLQOVROSEMT-GOSISDBHSA-N 2 0 313.445 2.984 20 0 DFADRP Cc1ccncc1CCC[N@@H+]1CCCN(c2ccccn2)CC1 ZINC000377624817 428176694 /nfs/dbraw/zinc/17/66/94/428176694.db2.gz LHIBPARRJQCHGL-UHFFFAOYSA-N 2 0 310.445 2.930 20 0 DFADRP Cc1ccc(C[N@@H+](C)[C@H]2CCN(C3CC[NH+](C)CC3)C2)s1 ZINC000377623479 428176765 /nfs/dbraw/zinc/17/67/65/428176765.db2.gz FAXDQIZSYSQLKS-INIZCTEOSA-N 2 0 307.507 2.657 20 0 DFADRP CC(C)NC(=O)Nc1ccc(C[NH2+][C@@H]2CC[N@H+](C)C[C@@H]2C)cc1 ZINC000360138540 428177335 /nfs/dbraw/zinc/17/73/35/428177335.db2.gz FTNOUPSNVMSOQX-WMLDXEAASA-N 2 0 318.465 2.646 20 0 DFADRP COc1ccc(C[C@@H](C)[NH2+]C[C@@H]2CCC[N@H+](CC(C)C)C2)cn1 ZINC000414097464 428206638 /nfs/dbraw/zinc/20/66/38/428206638.db2.gz JCCQGVWQDSNWIC-AEFFLSMTSA-N 2 0 319.493 2.979 20 0 DFADRP CC[C@H]([NH2+]CC1(N2CCCCC2)CC[NH+](C)CC1)[C@@H]1C[C@@H]1C ZINC000414111705 428208212 /nfs/dbraw/zinc/20/82/12/428208212.db2.gz MSQUNYKGYVWFOT-KSZLIROESA-N 2 0 307.526 2.961 20 0 DFADRP CC[C@H]([NH2+]Cc1ccccc1C[N@@H+]1CC[C@H](O)C1)[C@@H]1C[C@H]1C ZINC000414105359 428209246 /nfs/dbraw/zinc/20/92/46/428209246.db2.gz GPYGQUFAKRPGJP-FDPIWHGQSA-N 2 0 302.462 2.777 20 0 DFADRP COc1ccc(C[C@@H](C)[NH2+]CC[C@H](C)[NH+]2CCCCC2)cn1 ZINC000414124919 428210412 /nfs/dbraw/zinc/21/04/12/428210412.db2.gz CKLYCCNTVAMJQM-CVEARBPZSA-N 2 0 305.466 2.875 20 0 DFADRP COc1ccc([C@@H](C)[NH2+]CCCC[N@@H+]2CCC[C@H]2CO)c(C)c1 ZINC000414127352 428214458 /nfs/dbraw/zinc/21/44/58/428214458.db2.gz SCWMQJJAENVVEK-SJORKVTESA-N 2 0 320.477 2.891 20 0 DFADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CCC(C)(C)OC)[C@H](C)C1 ZINC000346559211 428217011 /nfs/dbraw/zinc/21/70/11/428217011.db2.gz JGRQUKFERQDADC-HZPDHXFCSA-N 2 0 300.487 2.528 20 0 DFADRP c1ccc(-c2cccc(C[NH+]3CCN([C@H]4CC[NH2+]C4)CC3)c2)cc1 ZINC000352725393 428220946 /nfs/dbraw/zinc/22/09/46/428220946.db2.gz ZFWKBWJPZYRFJM-NRFANRHFSA-N 2 0 321.468 2.833 20 0 DFADRP Cc1cc2ncc([C@H](C)[NH2+]CC[C@H]3CCC[N@H+](C)C3)c(C)n2n1 ZINC000414169644 428222281 /nfs/dbraw/zinc/22/22/81/428222281.db2.gz BFZUEDBUUUUVJF-GOEBONIOSA-N 2 0 315.465 2.729 20 0 DFADRP CC[C@@H](Cc1ccccc1)[NH2+]CC1(O)CC[NH+](C(C)C)CC1 ZINC000360245384 428222566 /nfs/dbraw/zinc/22/25/66/428222566.db2.gz OAHLPZJQIOYREX-SFHVURJKSA-N 2 0 304.478 2.833 20 0 DFADRP C[N@@H+]1CCC[C@H](CC[NH2+][C@H](c2ccccc2)c2cncnc2)C1 ZINC000414174244 428224721 /nfs/dbraw/zinc/22/47/21/428224721.db2.gz GMDKDHQLLYCEKL-VQIMIIECSA-N 2 0 310.445 2.888 20 0 DFADRP CCO[C@@H]1C[C@H]([NH2+]C2CC[NH+](C3CCC3)CC2)C12CCOCC2 ZINC000346574933 428225424 /nfs/dbraw/zinc/22/54/24/428225424.db2.gz QCUQSJNFORQPBX-ZWKOTPCHSA-N 2 0 322.493 2.567 20 0 DFADRP C[C@@H]([NH2+]Cc1ccc2c[nH+]cn2c1)c1ccc(C(=O)N(C)C)cc1 ZINC000414193234 428230624 /nfs/dbraw/zinc/23/06/24/428230624.db2.gz UMNSXJQFBMEKNY-CQSZACIVSA-N 2 0 322.412 2.887 20 0 DFADRP CCOC1CC(O)(C[NH2+]C2CC[NH+]([C@@H]3CCCC[C@H]3C)CC2)C1 ZINC000370526111 428231411 /nfs/dbraw/zinc/23/14/11/428231411.db2.gz IMUQCFNYOQVIAW-ZTRSQXPZSA-N 2 0 324.509 2.549 20 0 DFADRP CC(C)C1CCC(C[NH2+]CCC[N@@H+]2CCC[C@@H](C(N)=O)C2)CC1 ZINC000352761851 428237148 /nfs/dbraw/zinc/23/71/48/428237148.db2.gz ZUTCTNHSDNVLIK-DAWZGUTISA-N 2 0 323.525 2.626 20 0 DFADRP CCc1cccc(C[N@@H+]2CCN(C3CC[NH+](C)CC3)[C@H](C)C2)c1 ZINC000346609900 428237490 /nfs/dbraw/zinc/23/74/90/428237490.db2.gz KKGDZSUUMPDXDN-QGZVFWFLSA-N 2 0 315.505 2.849 20 0 DFADRP C[C@H]1C[C@H]([NH2+]CCc2cnccn2)CCN1Cc1ccccc1 ZINC000341875336 428239317 /nfs/dbraw/zinc/23/93/17/428239317.db2.gz LFYKZRFTVJHXFG-FUHWJXTLSA-N 2 0 310.445 2.662 20 0 DFADRP CC[C@@H](C)NC(=O)CN(C)C1CC[NH+](C2CCC(C)CC2)CC1 ZINC000360179094 428193636 /nfs/dbraw/zinc/19/36/36/428193636.db2.gz ORABEMZJPDQDOS-UPTPFMHGSA-N 2 0 323.525 2.876 20 0 DFADRP COc1ccc(C[C@H](C)[NH2+]C[C@@H](C)C[NH+]2CCCCC2)cn1 ZINC000414074787 428198571 /nfs/dbraw/zinc/19/85/71/428198571.db2.gz OOJSFZLLLUAAJN-CVEARBPZSA-N 2 0 305.466 2.733 20 0 DFADRP COc1ccc(C[C@@H](C)[NH2+][C@@H](CC[NH+](C)C)C(C)(C)C)cn1 ZINC000414082334 428201883 /nfs/dbraw/zinc/20/18/83/428201883.db2.gz FMWDMBNMXPHPOW-ZBFHGGJFSA-N 2 0 307.482 2.977 20 0 DFADRP C[C@H]([NH2+][C@@H]1CCC[C@H](CO)C1)c1ccc(OCC[NH+](C)C)cc1 ZINC000414342561 428263640 /nfs/dbraw/zinc/26/36/40/428263640.db2.gz PZLHYAKWEQOLIJ-XYJFISCASA-N 2 0 320.477 2.829 20 0 DFADRP CSc1ccc(C[NH2+]CCCC[NH+]2CCOCC2)s1 ZINC000352840950 428273617 /nfs/dbraw/zinc/27/36/17/428273617.db2.gz PYNTXQXRVCICRM-UHFFFAOYSA-N 2 0 300.493 2.672 20 0 DFADRP COc1cc(C)cc2c1OCC[C@@H]2N[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000370679674 428273899 /nfs/dbraw/zinc/27/38/99/428273899.db2.gz WDJDLYBCPXVNBM-YCPHGPKFSA-N 2 0 304.434 2.900 20 0 DFADRP C[N@H+](Cc1ccccc1)CC(C)(C)C[NH+]1CCC(C[NH3+])CC1 ZINC000346684010 428274111 /nfs/dbraw/zinc/27/41/11/428274111.db2.gz GKPGAIRHORKMIT-UHFFFAOYSA-N 3 0 303.494 2.815 20 0 DFADRP CC[NH+]1CCN(C[C@H](C)C[NH2+]C[C@@H]2CC(C)=C[C@H](C)C2)CC1 ZINC000352836669 428274627 /nfs/dbraw/zinc/27/46/27/428274627.db2.gz WFSNHLZBXIXMJY-UHOSZYNNSA-N 2 0 307.526 2.842 20 0 DFADRP COc1ccc(C[N@@H+]2C[C@H](C[NH3+])C[C@H]2C)cc1OCC(C)C ZINC000346693596 428276738 /nfs/dbraw/zinc/27/67/38/428276738.db2.gz OEMUNAWQAVXPOA-ZBFHGGJFSA-N 2 0 306.450 2.899 20 0 DFADRP C[C@H]1C[C@H](C[NH3+])C[N@@H+]1Cc1cccc(OCc2ccccn2)c1 ZINC000346693181 428277260 /nfs/dbraw/zinc/27/72/60/428277260.db2.gz LFHJBKKWOIZOLX-DOTOQJQBSA-N 2 0 311.429 2.830 20 0 DFADRP CCN1CC[NH+](CCCC[NH2+]C[C@H]2CC(C)=C[C@@H](C)C2)CC1 ZINC000352855614 428280737 /nfs/dbraw/zinc/28/07/37/428280737.db2.gz TVYBCNJZKCPXFF-IEBWSBKVSA-N 2 0 307.526 2.986 20 0 DFADRP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]Cc1ccnc(N2CCCCC2)c1 ZINC000360428498 428295103 /nfs/dbraw/zinc/29/51/03/428295103.db2.gz NXORGPDJGPSGKZ-NVXWUHKLSA-N 2 0 302.466 2.502 20 0 DFADRP CC(C)[C@H](C(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1)[NH+](C)C ZINC000106427508 273551661 /nfs/dbraw/zinc/55/16/61/273551661.db2.gz JTDBSBGBWPTACC-GOEBONIOSA-N 2 0 323.506 2.587 20 0 DFADRP C[N@@H+]1CC[C@@H]2[C@H](CCCN2Cc2cnc(C(C)(C)C)nc2)C1 ZINC000377835857 428241588 /nfs/dbraw/zinc/24/15/88/428241588.db2.gz XBKLSOJTFHDBEE-HZPDHXFCSA-N 2 0 302.466 2.690 20 0 DFADRP CC(C)N(C)c1ccc(CN2CCC[C@@H]3C[N@H+](C)CC[C@@H]32)cn1 ZINC000377838598 428242901 /nfs/dbraw/zinc/24/29/01/428242901.db2.gz AJVYETARZCYTMA-MSOLQXFVSA-N 2 0 316.493 2.842 20 0 DFADRP CC(C)N(C)c1ccc(CN2CCC[C@H]3C[N@H+](C)CC[C@H]32)cn1 ZINC000377838601 428243094 /nfs/dbraw/zinc/24/30/94/428243094.db2.gz AJVYETARZCYTMA-ZWKOTPCHSA-N 2 0 316.493 2.842 20 0 DFADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)CCC1CCCC1 ZINC000346617458 428243184 /nfs/dbraw/zinc/24/31/84/428243184.db2.gz HFIJRYSLYFVUOM-GOSISDBHSA-N 2 0 323.525 2.831 20 0 DFADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)CC1CCCCC1 ZINC000346621460 428244153 /nfs/dbraw/zinc/24/41/53/428244153.db2.gz LZCWDUAFBXTXGS-GOSISDBHSA-N 2 0 323.525 2.831 20 0 DFADRP CCSCC[NH2+]CC1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000377860924 428248975 /nfs/dbraw/zinc/24/89/75/428248975.db2.gz MXKIPRJUTMQUPH-GOSISDBHSA-N 2 0 322.518 2.775 20 0 DFADRP C[C@H]([NH3+])[C@H]1CC[N@H+](Cc2cccc(OCc3ccccn3)c2)C1 ZINC000346640206 428250647 /nfs/dbraw/zinc/25/06/47/428250647.db2.gz KWMVVWODHIRGSK-RDJZCZTQSA-N 2 0 311.429 2.830 20 0 DFADRP CCn1cc[nH+]c1NCc1nc2c(s1)C[N@@H+](C(C)C)CC2 ZINC000414300204 428252910 /nfs/dbraw/zinc/25/29/10/428252910.db2.gz LTAFWYCXDCAVLO-UHFFFAOYSA-N 2 0 305.451 2.738 20 0 DFADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+][C@H]1CCN(c2ccc(F)cc2F)C1 ZINC000370627519 428256802 /nfs/dbraw/zinc/25/68/02/428256802.db2.gz CDKWBHNNKGYBNK-LNCBFAARSA-N 2 0 323.431 2.862 20 0 DFADRP Cc1ccc(C[NH2+]CC2CC[NH+](Cc3cccs3)CC2)nn1 ZINC000414315604 428258330 /nfs/dbraw/zinc/25/83/30/428258330.db2.gz GPYXMHOJGQZUTE-UHFFFAOYSA-N 2 0 316.474 2.848 20 0 DFADRP COc1ccc([C@H](C)[NH2+][C@H]2CCN(C3CC[NH+](C)CC3)C2)cc1 ZINC000370635748 428259759 /nfs/dbraw/zinc/25/97/59/428259759.db2.gz PTKDVXHJHUBLRX-RDJZCZTQSA-N 2 0 317.477 2.514 20 0 DFADRP Cc1ccc([C@@H](C)[NH2+][C@H]2CCN(C3CC[NH+](C)CC3)C2)cc1 ZINC000370637197 428260276 /nfs/dbraw/zinc/26/02/76/428260276.db2.gz UDTOJMNIGLIIJD-AEFFLSMTSA-N 2 0 301.478 2.814 20 0 DFADRP COC[C@H]([NH2+]CC1CC[NH+](CCc2ccccc2)CC1)C1CC1 ZINC000370636680 428260780 /nfs/dbraw/zinc/26/07/80/428260780.db2.gz IKJRULBBLMPLLP-FQEVSTJZSA-N 2 0 316.489 2.956 20 0 DFADRP CCC(CC)[NH2+]Cc1ccc(C[NH+]2CCC(C(N)=O)CC2)cc1 ZINC000414330740 428261353 /nfs/dbraw/zinc/26/13/53/428261353.db2.gz SINGZUAMIGSZPD-UHFFFAOYSA-N 2 0 317.477 2.662 20 0 DFADRP Cc1ccccc1C[NH+]1CCN(CC[C@@H]2CCCC[N@H+]2C)CC1 ZINC000356809030 428314520 /nfs/dbraw/zinc/31/45/20/428314520.db2.gz AHADXRFUZIFFKJ-FQEVSTJZSA-N 2 0 315.505 2.987 20 0 DFADRP CC[NH+]1CCN(c2ccccc2C[NH2+]C[C@@H](C)CCOC)CC1 ZINC000414489891 428318694 /nfs/dbraw/zinc/31/86/94/428318694.db2.gz ZYDQDHOGYBOMFB-KRWDZBQOSA-N 2 0 319.493 2.591 20 0 DFADRP CC[NH+]1CCN(c2ccccc2C[NH2+][C@@H]2CS[C@H](C)C2)CC1 ZINC000414502814 428321215 /nfs/dbraw/zinc/32/12/15/428321215.db2.gz VDMQOICCOFIFIF-WBVHZDCISA-N 2 0 319.518 2.812 20 0 DFADRP Fc1ccc(C[NH2+][C@H]2CCc3nccn3C2)c(Br)c1 ZINC000378169160 428325073 /nfs/dbraw/zinc/32/50/73/428325073.db2.gz PVRQIPMQDUNDMD-LBPRGKRZSA-N 2 0 324.197 2.889 20 0 DFADRP CC[N@@H+]1CC[C@@H]([NH2+]C2CCN(c3cccc(C)n3)CC2)[C@H](C)C1 ZINC000378168761 428325585 /nfs/dbraw/zinc/32/55/85/428325585.db2.gz MGUJWKYBKFBHJX-CRAIPNDOSA-N 2 0 316.493 2.679 20 0 DFADRP [NH3+][C@@H]1CCC[C@H]2C[N@H+](Cc3cnc(-c4ccccn4)s3)C[C@H]21 ZINC000346816326 428328739 /nfs/dbraw/zinc/32/87/39/428328739.db2.gz AIEJYFCFJNLPND-NWANDNLSSA-N 2 0 314.458 2.764 20 0 DFADRP [NH3+][C@@H]1CCC[C@H]2C[N@H+](Cc3c[nH]nc3-c3ccc(F)cc3)C[C@@H]21 ZINC000346823942 428330902 /nfs/dbraw/zinc/33/09/02/428330902.db2.gz KEERQLXTSXHVIZ-RRQGHBQHSA-N 2 0 314.408 2.775 20 0 DFADRP C[C@H](C[NH2+]C1CCN(CCC(F)(F)F)CC1)C[NH+]1CCCC1 ZINC000356840456 428334606 /nfs/dbraw/zinc/33/46/06/428334606.db2.gz FMDVQYFCMWIOSS-CQSZACIVSA-N 2 0 321.431 2.725 20 0 DFADRP COc1ccc([C@H]2CCC[N@@H+]2C[C@H]2CCC[NH2+]C2)c(OC)c1 ZINC000346830156 428336484 /nfs/dbraw/zinc/33/64/84/428336484.db2.gz KAULAGWDPZSCNJ-WMLDXEAASA-N 2 0 304.434 2.840 20 0 DFADRP COc1cc(C[N@@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)c(SC)cc1OC ZINC000346840525 428341341 /nfs/dbraw/zinc/34/13/41/428341341.db2.gz FVHRBOBRPGNVFL-FPMFFAJLSA-N 2 0 322.474 2.595 20 0 DFADRP C[C@H]([NH2+]CC1CCN(c2cc[nH+]cc2)CC1)[C@H]1CCCOC1 ZINC000356874474 428342121 /nfs/dbraw/zinc/34/21/21/428342121.db2.gz QHHBAAFCGGOJLH-RDJZCZTQSA-N 2 0 303.450 2.703 20 0 DFADRP CCOc1cc(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)ccc1OC ZINC000346841266 428342319 /nfs/dbraw/zinc/34/23/19/428342319.db2.gz GYXDZZWTTKLMLP-ARFHVFGLSA-N 2 0 304.434 2.653 20 0 DFADRP C[C@@H]1C[C@H](CNC(=[NH2+])Nc2ccccn2)C[N@@H+]1Cc1ccccc1 ZINC000371017801 428342513 /nfs/dbraw/zinc/34/25/13/428342513.db2.gz UEZYUSHAJOLCKG-NVXWUHKLSA-N 2 0 323.444 2.928 20 0 DFADRP [NH3+][C@@H]1CCC[C@H]2CN(Cc3cnc4ccc(Cl)cn34)C[C@@H]21 ZINC000346840493 428343210 /nfs/dbraw/zinc/34/32/10/428343210.db2.gz FSTVTBKOECOXNG-TUKIKUTGSA-N 2 0 304.825 2.547 20 0 DFADRP Cc1nn(-c2ccccc2)c(C)c1C[N@@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000346848971 428344548 /nfs/dbraw/zinc/34/45/48/428344548.db2.gz FXHIUAXUEAFCRF-KFKAGJAMSA-N 2 0 310.445 2.658 20 0 DFADRP Cc1nn(-c2ccccc2)c(C)c1C[N@@H+]1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000346848970 428344727 /nfs/dbraw/zinc/34/47/27/428344727.db2.gz FXHIUAXUEAFCRF-IPELMVKDSA-N 2 0 310.445 2.658 20 0 DFADRP [NH3+][C@@H]1CCC[C@H]2C[N@H+](Cc3c[nH]nc3-c3ccccc3F)C[C@H]21 ZINC000346846266 428345449 /nfs/dbraw/zinc/34/54/49/428345449.db2.gz NTSFERSVQWBSAR-XGWLTEMNSA-N 2 0 314.408 2.775 20 0 DFADRP CC[C@@H]1[NH2+]CC[C@H]1c1nc(-c2ccc(C[NH+](C)C)cc2)no1 ZINC000356884917 428347089 /nfs/dbraw/zinc/34/70/89/428347089.db2.gz PSGKREULUCALMY-CABCVRRESA-N 2 0 300.406 2.654 20 0 DFADRP CC[C@H]1[NH2+]CC[C@H]1c1nc(-c2ccc(C[NH+](C)C)cc2)no1 ZINC000356884919 428348619 /nfs/dbraw/zinc/34/86/19/428348619.db2.gz PSGKREULUCALMY-HUUCEWRRSA-N 2 0 300.406 2.654 20 0 DFADRP C[C@H]1CSC[C@@H]1[NH2+]Cc1ccc(OCCC[NH+](C)C)cc1 ZINC000353014724 428353343 /nfs/dbraw/zinc/35/33/43/428353343.db2.gz DRLVDMIKTCPGLD-YOEHRIQHSA-N 2 0 308.491 2.858 20 0 DFADRP CC(C)c1cccc(NC(=[NH2+])NC[C@H]2C[N@@H+]3CCC[C@H]3CO2)c1 ZINC000360572436 428353855 /nfs/dbraw/zinc/35/38/55/428353855.db2.gz KHHSRUXFIYYZIC-IRXDYDNUSA-N 2 0 316.449 2.609 20 0 DFADRP C[C@@H](c1ccc(F)cc1)[N@H+](C)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000371426854 428388547 /nfs/dbraw/zinc/38/85/47/428388547.db2.gz ZHPDZFIZOWFFPF-KXBFYZLASA-N 2 0 319.468 2.987 20 0 DFADRP C[C@@H]1C[C@H](C[NH+]2CCC(NC(=O)CC3CCCC3)CC2)CC[NH2+]1 ZINC000414743196 428391298 /nfs/dbraw/zinc/39/12/98/428391298.db2.gz OICDEIFMYDXEMN-NVXWUHKLSA-N 2 0 321.509 2.535 20 0 DFADRP CC[C@@H]1CN(c2ccccc2)CC[N@@H+]1C[C@H]1CC[NH2+][C@H](C)C1 ZINC000414745690 428392839 /nfs/dbraw/zinc/39/28/39/428392839.db2.gz RCXDJOFSXRPYBJ-FGTMMUONSA-N 2 0 301.478 2.975 20 0 DFADRP Cc1cc(C[N@@H+](C)[C@@H]2CCN(C3CC[NH+](C)CC3)C2)c(C)s1 ZINC000378424006 428393248 /nfs/dbraw/zinc/39/32/48/428393248.db2.gz CZVAHUWVOIZFSY-GOSISDBHSA-N 2 0 321.534 2.965 20 0 DFADRP CCc1ccc(C[N@H+](C)[C@H]2CCN(C3CC[NH+](C)CC3)C2)cc1 ZINC000378437706 428395614 /nfs/dbraw/zinc/39/56/14/428395614.db2.gz XYYYKCJRSBSJKM-FQEVSTJZSA-N 2 0 315.505 2.849 20 0 DFADRP C[C@H](c1cccc(F)c1)[N@@H+]1CCC[C@H](CN2CC[NH+](C)CC2)C1 ZINC000378430043 428396020 /nfs/dbraw/zinc/39/60/20/428396020.db2.gz BMDGUKFQFKRVPR-IAGOWNOFSA-N 2 0 319.468 2.846 20 0 DFADRP C[C@H](c1ccccc1)N(C)C(=O)C[N@H+](C)C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000414764713 428398006 /nfs/dbraw/zinc/39/80/06/428398006.db2.gz OUFZBHXEKBYLMW-BRWVUGGUSA-N 2 0 317.477 2.526 20 0 DFADRP CCCN1CCC[C@@H]1C[NH2+][C@H]1CN(Cc2ccccc2)C[C@@H]1C ZINC000353141363 428399724 /nfs/dbraw/zinc/39/97/24/428399724.db2.gz QMFNTJQEWSCTLV-SXLOBPIMSA-N 2 0 315.505 2.971 20 0 DFADRP CCCN1CCC[C@@H]1C[NH2+][C@H]1CN(Cc2ccccc2)C[C@H]1C ZINC000353141362 428400900 /nfs/dbraw/zinc/40/09/00/428400900.db2.gz QMFNTJQEWSCTLV-RLLQIKCJSA-N 2 0 315.505 2.971 20 0 DFADRP [NH3+]C[C@@H]1C[N@H+](C/C=C\c2ccc(F)cc2)CC12CCOCC2 ZINC000414773729 428401063 /nfs/dbraw/zinc/40/10/63/428401063.db2.gz DULMABGVLVTDJC-STOZHHMFSA-N 2 0 304.409 2.526 20 0 DFADRP c1ccc(OCC2CC2)c(C[N@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)c1 ZINC000414774576 428401124 /nfs/dbraw/zinc/40/11/24/428401124.db2.gz YKWANDCTSSRAOB-CALCHBBNSA-N 2 0 300.446 2.907 20 0 DFADRP COCCOc1ccc(C[N@@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)cc1 ZINC000414771782 428401606 /nfs/dbraw/zinc/40/16/06/428401606.db2.gz AOIXCBJBHALXKV-ZWKOTPCHSA-N 2 0 318.461 2.533 20 0 DFADRP [NH3+]C[C@H]1C[N@H+](CCSCc2ccccc2)CC12CCOCC2 ZINC000414790481 428414271 /nfs/dbraw/zinc/41/42/71/428414271.db2.gz ZXEVQIMCCXHNCX-KRWDZBQOSA-N 2 0 320.502 2.607 20 0 DFADRP Cc1nccn1-c1ccc([C@@H](C)[NH2+]CCn2ccnc2)cc1F ZINC000378466563 428403174 /nfs/dbraw/zinc/40/31/74/428403174.db2.gz KUFWGCJUDZRWNY-CYBMUJFWSA-N 2 0 313.380 2.867 20 0 DFADRP CCN(CC)c1ncc(C[N@@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)s1 ZINC000414778563 428403646 /nfs/dbraw/zinc/40/36/46/428403646.db2.gz JCMGGNQXVUGYGD-CABCVRRESA-N 2 0 322.522 2.811 20 0 DFADRP COc1ccc(C[C@@H](C)CN2CC[NH2+]C[C@](C)(F)C2)cc1F ZINC000414780333 428404162 /nfs/dbraw/zinc/40/41/62/428404162.db2.gz SUYFDRJHVKNEIV-DYVFJYSZSA-N 2 0 312.404 2.646 20 0 DFADRP c1cnc(Oc2ccc(C[N@H+]3CC[C@H]4C[NH2+]C[C@H]4CC3)cc2)cn1 ZINC000414775436 428404240 /nfs/dbraw/zinc/40/42/40/428404240.db2.gz ZZQOYQXVFPZWAD-CALCHBBNSA-N 2 0 324.428 2.700 20 0 DFADRP C[C@@H](CC[N@@H+]1C[C@@H](C[NH3+])C2(C1)CCOCC2)c1ccccc1 ZINC000414775724 428404965 /nfs/dbraw/zinc/40/49/65/428404965.db2.gz GNGDJFPAYZTOCO-FUHWJXTLSA-N 2 0 302.462 2.868 20 0 DFADRP COc1cc(C)c(C[N@@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)cc1OC ZINC000414784886 428406345 /nfs/dbraw/zinc/40/63/45/428406345.db2.gz RSCUHGWXTARQPZ-JKSUJKDBSA-N 2 0 318.461 2.834 20 0 DFADRP CC(C)c1ccccc1NC(=O)C[C@@H](C)[NH2+]C1CC[NH2+]CC1 ZINC000414784883 428407318 /nfs/dbraw/zinc/40/73/18/428407318.db2.gz UDWUSLJKQLHHGS-CQSZACIVSA-N 2 0 303.450 2.869 20 0 DFADRP c1ccc(CC[C@@H]2CCC[C@@H]2[NH2+]CCCN2CC[NH2+]CC2)cc1 ZINC000414782282 428407643 /nfs/dbraw/zinc/40/76/43/428407643.db2.gz OMDBMDZXTAJBKD-PMACEKPBSA-N 2 0 315.505 2.673 20 0 DFADRP C[C@@H](CCc1ccccc1)C[N@@H+]1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000414784110 428408290 /nfs/dbraw/zinc/40/82/90/428408290.db2.gz QUBZYKVLJLFSPL-PKOBYXMFSA-N 2 0 316.489 2.943 20 0 DFADRP [NH3+]C[C@H]1CCC[C@@H]1[NH2+]Cc1ccc(OCc2ccncc2)cc1 ZINC000414788669 428409582 /nfs/dbraw/zinc/40/95/82/428409582.db2.gz DSOUVMDYBUXRHZ-MJGOQNOKSA-N 2 0 311.429 2.878 20 0 DFADRP [NH3+][C@@H]1CCO[C@H]1C1CC[NH+](C/C=C/c2ccc(F)cc2)CC1 ZINC000414788816 428410277 /nfs/dbraw/zinc/41/02/77/428410277.db2.gz NJQBHKZALDKAND-MNSDHWDNSA-N 2 0 304.409 2.667 20 0 DFADRP c1cn(-c2ccccc2)nc1C[N@@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000414787741 428410696 /nfs/dbraw/zinc/41/06/96/428410696.db2.gz VXWFQVAMNWDGGE-IRXDYDNUSA-N 2 0 310.445 2.694 20 0 DFADRP FC(F)(F)c1cccnc1C[N@@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000414786828 428410718 /nfs/dbraw/zinc/41/07/18/428410718.db2.gz UYJSNZVJAACAOH-QWHCGFSZSA-N 2 0 313.367 2.922 20 0 DFADRP CC[C@@H](C[N@@H+]1C[C@H](C[NH3+])C2(C1)CCOCC2)c1ccccc1 ZINC000414786292 428411172 /nfs/dbraw/zinc/41/11/72/428411172.db2.gz UMRZBGBLBPWKOV-WMZOPIPTSA-N 2 0 302.462 2.868 20 0 DFADRP CCC(C)(C)[NH2+][C@H](C)C(=O)N[C@@H](C)C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000347026995 428412454 /nfs/dbraw/zinc/41/24/54/428412454.db2.gz QNYPSZGVNZKXSZ-XUWVNRHRSA-N 2 0 311.514 2.636 20 0 DFADRP COc1ccc(C[N@@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)c(OC)c1 ZINC000414790099 428412757 /nfs/dbraw/zinc/41/27/57/428412757.db2.gz ZLEDZNBCYRDCIR-GJZGRUSLSA-N 2 0 304.434 2.525 20 0 DFADRP C[NH2+]C[C@H]1CCN(CC(C)(C)C[N@H+](C)Cc2ccccc2)C1 ZINC000347029672 428413065 /nfs/dbraw/zinc/41/30/65/428413065.db2.gz XFLSCUNMTCTSTP-GOSISDBHSA-N 2 0 303.494 2.686 20 0 DFADRP CC[N@@H+](Cc1nc2ccccc2c(=O)[nH]1)C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000414675536 428372065 /nfs/dbraw/zinc/37/20/65/428372065.db2.gz TYLVUFNYBWVPMB-ZIAGYGMSSA-N 2 0 314.433 2.545 20 0 DFADRP C[C@H]1C[C@@H](C[N@H+](C)Cc2ccc(Br)o2)CC[NH2+]1 ZINC000414683232 428373043 /nfs/dbraw/zinc/37/30/43/428373043.db2.gz ZRFFZFLHJUJRAQ-QWRGUYRKSA-N 2 0 301.228 2.862 20 0 DFADRP Cc1cccc(C)c1NC(=O)C[N@@H+](C)C[C@H]1CC[NH2+][C@@H](C)C1 ZINC000414680125 428373962 /nfs/dbraw/zinc/37/39/62/428373962.db2.gz SQPZRDHHCJXAAI-HOTGVXAUSA-N 2 0 303.450 2.562 20 0 DFADRP Cc1ccccc1NC(=O)[C@@H](C)[NH+]1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000357068986 428376281 /nfs/dbraw/zinc/37/62/81/428376281.db2.gz DWMYNKZUMHLSDB-NVXWUHKLSA-N 2 0 315.461 2.644 20 0 DFADRP C[C@@H]1C[C@@H](C[N@@H+]2CCCC[C@H]2c2nnc3n2CCCC3)CC[NH2+]1 ZINC000414690483 428376332 /nfs/dbraw/zinc/37/63/32/428376332.db2.gz IDXSDSILHSAVJW-PMPSAXMXSA-N 2 0 317.481 2.530 20 0 DFADRP CC[N@@H+](Cc1ccc(OC)c(OC)c1)C[C@H]1CC[NH2+][C@H](C)C1 ZINC000414685149 428377188 /nfs/dbraw/zinc/37/71/88/428377188.db2.gz YEFHZCFRYKHPRR-ZBFHGGJFSA-N 2 0 306.450 2.914 20 0 DFADRP C[C@@H]1C[C@@H](C[N@@H+]2CCC[C@H](C[NH+]3CCCCCC3)C2)CC[NH2+]1 ZINC000414692776 428378173 /nfs/dbraw/zinc/37/81/73/428378173.db2.gz LQHKWOACJQAWPG-CEXWTWQISA-N 3 0 307.526 2.963 20 0 DFADRP COCCOCC[N@@H+](Cc1ccccc1)C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000414695921 428379604 /nfs/dbraw/zinc/37/96/04/428379604.db2.gz ADXNHKMIVYLYFM-IEBWSBKVSA-N 2 0 320.477 2.540 20 0 DFADRP CCC[N@H+](C[C@@H]1CC[NH2+][C@H](C)C1)C[C@H]1COc2ccccc2O1 ZINC000414703733 428380377 /nfs/dbraw/zinc/38/03/77/428380377.db2.gz LVGJKELGKFQMBW-ZACQAIPSSA-N 2 0 318.461 2.927 20 0 DFADRP CCN(C)C(=O)CC[NH+]1CCC(CC[N@H+](CC)CC2CC2)CC1 ZINC000357091885 428382237 /nfs/dbraw/zinc/38/22/37/428382237.db2.gz XFVHSGZHKRBFGG-UHFFFAOYSA-N 2 0 323.525 2.689 20 0 DFADRP Fc1cncc(C[NH+]2CCC(CCC[NH+]3CCOCC3)CC2)c1 ZINC000346954607 428382427 /nfs/dbraw/zinc/38/24/27/428382427.db2.gz XFKZBBNNEYZRHR-UHFFFAOYSA-N 2 0 321.440 2.545 20 0 DFADRP C[C@@H]1C[C@@H](C[N@H+](CCc2ccccc2)[C@@H]2CCOC2)CC[NH2+]1 ZINC000414714987 428383346 /nfs/dbraw/zinc/38/33/46/428383346.db2.gz WDXIMUJCAPGLOH-NZSAHSFTSA-N 2 0 302.462 2.708 20 0 DFADRP C[C@H]1C[C@@H](C[NH2+]C(C)(C)CN(C)Cc2ccccc2)CC[NH2+]1 ZINC000414709602 428383773 /nfs/dbraw/zinc/38/37/73/428383773.db2.gz OYJRDZPSYVJULC-WMZOPIPTSA-N 2 0 303.494 2.875 20 0 DFADRP CC[N@@H+](CC(=O)Nc1c(C)cccc1C)C[C@H]1CC[NH2+][C@@H](C)C1 ZINC000414713063 428383829 /nfs/dbraw/zinc/38/38/29/428383829.db2.gz UVGUAIDDQQVXAU-IRXDYDNUSA-N 2 0 317.477 2.952 20 0 DFADRP C[C@H]([NH2+]Cc1ccc(OC[C@@H]2CCCO2)cc1)[C@H]1CCC[NH2+]C1 ZINC000414850918 428433421 /nfs/dbraw/zinc/43/34/21/428433421.db2.gz ITUHXLAFDJLIRR-IEZWGBDMSA-N 2 0 318.461 2.722 20 0 DFADRP C[N@H+](CCC[NH+]1CCCC1)C[C@@H](O)Cc1cccc(Cl)c1 ZINC000347076173 428433707 /nfs/dbraw/zinc/43/37/07/428433707.db2.gz BGDKVUUWGJAMDJ-KRWDZBQOSA-N 2 0 310.869 2.661 20 0 DFADRP Cc1ccc(NC(=O)C[C@H](C)[NH2+][C@@H](C)[C@@H]2CCC[NH2+]C2)c(C)c1 ZINC000414853012 428433775 /nfs/dbraw/zinc/43/37/75/428433775.db2.gz KKQGFXNBNAMRBZ-YESZJQIVSA-N 2 0 317.477 2.998 20 0 DFADRP CC(C)[N@H+]1CCc2nc(CN3CCCC[C@@H]3[C@H](C)[NH3+])sc2C1 ZINC000347074693 428434787 /nfs/dbraw/zinc/43/47/87/428434787.db2.gz TVKQGJJIWKXUNI-DZGCQCFKSA-N 2 0 322.522 2.611 20 0 DFADRP CC(C)[N@H+]1CCc2nc(CN3CCCC[C@@H]3[C@@H](C)[NH3+])sc2C1 ZINC000347074700 428435382 /nfs/dbraw/zinc/43/53/82/428435382.db2.gz TVKQGJJIWKXUNI-UKRRQHHQSA-N 2 0 322.522 2.611 20 0 DFADRP C[C@@H](CC(=O)N1CCCCCC1)[NH2+]CC1([NH3+])CCCCCC1 ZINC000414858978 428436823 /nfs/dbraw/zinc/43/68/23/428436823.db2.gz LSSUMYSEEIUXEA-INIZCTEOSA-N 2 0 309.498 2.809 20 0 DFADRP c1nc2ccccc2n1-c1ccc(CN[C@@H]2CCC[NH2+]C2)cc1 ZINC000414871348 428441659 /nfs/dbraw/zinc/44/16/59/428441659.db2.gz UMIUQRWLYQJQMH-MRXNPFEDSA-N 2 0 306.413 2.867 20 0 DFADRP C[C@]1(C[NH2+]Cc2cc(Cl)c3c(c2)OCCCO3)CCC[NH2+]C1 ZINC000414898497 428449180 /nfs/dbraw/zinc/44/91/80/428449180.db2.gz GDLRUEYBCOJXMR-KRWDZBQOSA-N 2 0 324.852 2.981 20 0 DFADRP CC1(C[NH2+]Cc2cccc(O)c2Br)CC[NH2+]CC1 ZINC000414897369 428449203 /nfs/dbraw/zinc/44/92/03/428449203.db2.gz DURUXWGIXVVTDP-UHFFFAOYSA-N 2 0 313.239 2.634 20 0 DFADRP CC(C)c1ccccc1NC(=O)C[C@@H](C)[NH2+]C[C@@H]([NH3+])C1CC1 ZINC000414895028 428449936 /nfs/dbraw/zinc/44/99/36/428449936.db2.gz VGKKISBRJYIZQT-CZUORRHYSA-N 2 0 303.450 2.854 20 0 DFADRP CC1(C[NH2+]Cc2cnc(-c3ccncc3)s2)CC[NH2+]CC1 ZINC000414897053 428450589 /nfs/dbraw/zinc/45/05/89/428450589.db2.gz CZUQOVMLJIBRQN-UHFFFAOYSA-N 2 0 302.447 2.684 20 0 DFADRP Cc1ccc(Cl)cc1NC(=O)C[C@H](C)[NH2+]C[C@@H]([NH3+])C1CC1 ZINC000414895657 428450735 /nfs/dbraw/zinc/45/07/35/428450735.db2.gz YLNKKSREWJHHRJ-SMDDNHRTSA-N 2 0 309.841 2.692 20 0 DFADRP Cc1ccc(NC(=O)C[C@H](C)[NH2+]C[C@@H]2CC[NH2+]C2)c(Cl)c1 ZINC000414902354 428451724 /nfs/dbraw/zinc/45/17/24/428451724.db2.gz HFHPHXAURHFPES-QWHCGFSZSA-N 2 0 309.841 2.565 20 0 DFADRP FC(F)(F)COc1cccc(C[NH2+][C@@H]2CCC[NH2+]CC2)c1 ZINC000414913722 428455350 /nfs/dbraw/zinc/45/53/50/428455350.db2.gz JNPFVEOFSQNTHD-CYBMUJFWSA-N 2 0 302.340 2.859 20 0 DFADRP c1nc([C@@H]2CCCO2)sc1C[NH+]1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000347120309 428456784 /nfs/dbraw/zinc/45/67/84/428456784.db2.gz VQNUUMYEKVRFSK-HOTGVXAUSA-N 2 0 321.490 2.959 20 0 DFADRP FC(F)(F)c1ccn(-c2ccc(C[NH2+]C[C@@H]3CC[NH2+]C3)cc2)n1 ZINC000414920236 428457392 /nfs/dbraw/zinc/45/73/92/428457392.db2.gz YTRHZNDXRFHSKA-CYBMUJFWSA-N 2 0 324.350 2.590 20 0 DFADRP C[C@]1(CNC2CC[NH+](Cc3ccccc3)CC2)CCC[NH2+]C1 ZINC000414920378 428457446 /nfs/dbraw/zinc/45/74/46/428457446.db2.gz ZGFJWVDVVCVDPP-IBGZPJMESA-N 2 0 301.478 2.630 20 0 DFADRP C[C@@H]1[NH2+]CCC[C@H]1C(=O)Nc1ccc(C[NH+]2CCCC2)cc1 ZINC000384238721 428457523 /nfs/dbraw/zinc/45/75/23/428457523.db2.gz ILHFJIVWOWJWQH-WMLDXEAASA-N 2 0 301.434 2.609 20 0 DFADRP COc1ccc(C[NH2+][C@H]2CCC[C@H]([NH3+])C2)cc1OC(F)F ZINC000414924314 428459167 /nfs/dbraw/zinc/45/91/67/428459167.db2.gz JTDBRDKYPCLGPY-RYUDHWBXSA-N 2 0 300.349 2.656 20 0 DFADRP C[C@H]([NH2+]CCN1CCC([NH+](C)C)CC1)C1CCC(F)(F)CC1 ZINC000353277932 428464585 /nfs/dbraw/zinc/46/45/85/428464585.db2.gz ORXNXCRWNBXWTO-AWEZNQCLSA-N 2 0 317.468 2.816 20 0 DFADRP CC[NH+](CC)Cc1cccc(NC(=O)[C@@H]2CCC[C@H]2C[NH3+])c1 ZINC000388063070 428465184 /nfs/dbraw/zinc/46/51/84/428465184.db2.gz MLVKLFOINZDWMO-DOTOQJQBSA-N 2 0 303.450 2.842 20 0 DFADRP CC[C@H](Cc1ccc(OC)c(OC)c1)[NH2+][C@H]1CC[NH2+][C@H](C)C1 ZINC000414947970 428465491 /nfs/dbraw/zinc/46/54/91/428465491.db2.gz LPLPTYHYFVJCCZ-BMFZPTHFSA-N 2 0 306.450 2.755 20 0 DFADRP C[C@H]1C[NH2+]CC[C@H]1[NH2+]C1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000414946120 428466391 /nfs/dbraw/zinc/46/63/91/428466391.db2.gz SPZUXTLLFBJBGR-KBXCAEBGSA-N 2 0 321.896 2.892 20 0 DFADRP C[C@H]1C[NH2+]CC[C@H]1[NH2+]C1CCN(Cc2ccccc2Cl)CC1 ZINC000414948999 428467765 /nfs/dbraw/zinc/46/77/65/428467765.db2.gz ZGMXFEWYBXZTQL-KBXCAEBGSA-N 2 0 321.896 2.892 20 0 DFADRP C[C@@H]1C[C@H](N[C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]23)CC[NH2+]1 ZINC000414948541 428469212 /nfs/dbraw/zinc/46/92/12/428469212.db2.gz MFYAXRYWKCDXIQ-YHUYVZNPSA-N 2 0 313.489 2.627 20 0 DFADRP COc1cc(C[NH2+]Cc2ccc([C@@H](C)[NH3+])cc2)cc2c1OCO2 ZINC000414802478 428415208 /nfs/dbraw/zinc/41/52/08/428415208.db2.gz BRFADLVMZTZEAB-GFCCVEGCSA-N 2 0 314.385 2.733 20 0 DFADRP COc1ccc2nc(C[NH2+][C@@H]3CCCC[C@H]3C[NH3+])sc2c1 ZINC000414801500 428417012 /nfs/dbraw/zinc/41/70/12/428417012.db2.gz LXEARESCVALOEK-WCQYABFASA-N 2 0 305.447 2.912 20 0 DFADRP C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)[C@]12C[NH2+]C[C@H]1CCCC2 ZINC000357172559 428418282 /nfs/dbraw/zinc/41/82/82/428418282.db2.gz IMDNRSFULBGEIZ-ZHALLVOQSA-N 2 0 321.509 2.537 20 0 DFADRP C[N@@H+]1CC[C@H](CN[C@@H]2CC[NH+]3CCC[C@@H]3C2)[C@@H]1c1ccccc1 ZINC000378523388 428418374 /nfs/dbraw/zinc/41/83/74/428418374.db2.gz ZWBWRNJNVSHWLU-WTGUMLROSA-N 3 0 313.489 2.896 20 0 DFADRP CC[C@H](Cc1ccc(OC)c(OC)c1)[NH2+][C@@H]1CCC[C@@H]1C[NH3+] ZINC000414804822 428419319 /nfs/dbraw/zinc/41/93/19/428419319.db2.gz PBXNEZZITCLYQO-BZUAXINKSA-N 2 0 306.450 2.742 20 0 DFADRP Cc1ccccc1NC(=O)C[C@H](C)[NH2+][C@@H]1CCCC[C@H]1C[NH3+] ZINC000414810986 428419750 /nfs/dbraw/zinc/41/97/50/428419750.db2.gz VULNFTWGWBNWPI-YQQAZPJKSA-N 2 0 303.450 2.819 20 0 DFADRP C[NH2+]CC1CC[NH+](Cc2ccc(Oc3cnccn3)cc2)CC1 ZINC000347041405 428419883 /nfs/dbraw/zinc/41/98/83/428419883.db2.gz KUDGEEXBWCYYPW-UHFFFAOYSA-N 2 0 312.417 2.700 20 0 DFADRP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]Cc1cnc(-c2ccccn2)s1 ZINC000414812164 428420066 /nfs/dbraw/zinc/42/00/66/428420066.db2.gz WZGNFQHRVANNKO-GXTWGEPZSA-N 2 0 302.447 2.812 20 0 DFADRP C[C@@H]1C[N@H+](C)CC[C@@H]1NC[C@H]1CCCC[NH+]1Cc1ccccc1 ZINC000360863041 428469748 /nfs/dbraw/zinc/46/97/48/428469748.db2.gz YQIQNLJNNWRWAO-RLLQIKCJSA-N 2 0 315.505 2.971 20 0 DFADRP Cc1nn(-c2ccc(Cl)cc2)c(C)c1C[NH2+]CC[C@@H](C)[NH3+] ZINC000414819205 428420848 /nfs/dbraw/zinc/42/08/48/428420848.db2.gz GZIRSSXLECSTEH-LLVKDONJSA-N 2 0 306.841 2.969 20 0 DFADRP Cc1cc(C[NH2+]Cc2ccc([C@H](C)[NH3+])cc2)ccc1-n1cncn1 ZINC000414813234 428420959 /nfs/dbraw/zinc/42/09/59/428420959.db2.gz SXAILQPDAMWPCD-HNNXBMFYSA-N 2 0 321.428 2.885 20 0 DFADRP OC1(C[N@@H+]2CC[C@]3(C2)CCC[NH+](Cc2ccccc2)C3)CCC1 ZINC000342373880 428423661 /nfs/dbraw/zinc/42/36/61/428423661.db2.gz KXIKOGPXFMOEAZ-LJQANCHMSA-N 2 0 314.473 2.890 20 0 DFADRP C[C@@H]1C[C@H]([NH2+]CC[C@@H]2CC[NH2+]C2)CCN1Cc1ccccc1 ZINC000414826476 428424012 /nfs/dbraw/zinc/42/40/12/428424012.db2.gz FOAHJJQCWLDWKN-ZIFCJYIRSA-N 2 0 301.478 2.629 20 0 DFADRP CCc1ccccc1NC(=O)C[C@H](C)[NH2+]C[C@H]1CCC[NH2+]C1 ZINC000414826898 428424802 /nfs/dbraw/zinc/42/48/02/428424802.db2.gz JXYREXZNOCAZNN-GJZGRUSLSA-N 2 0 303.450 2.555 20 0 DFADRP C[C@@H]([NH3+])CC[NH2+]Cc1cn(C2CCCC2)nc1-c1ccccn1 ZINC000414822603 428424973 /nfs/dbraw/zinc/42/49/73/428424973.db2.gz NEWYSZFKTJCMBE-CQSZACIVSA-N 2 0 313.449 2.887 20 0 DFADRP CCCOc1ccc(C[NH2+]C[C@H]2CCC[NH2+]C2)cc1OCC ZINC000414822931 428425445 /nfs/dbraw/zinc/42/54/45/428425445.db2.gz DAXCUWNIDCHAAC-INIZCTEOSA-N 2 0 306.450 2.963 20 0 DFADRP COc1cc(C[NH2+]CC[C@@H]2CCC[NH2+]C2)c(SC)cc1OC ZINC000414827390 428425644 /nfs/dbraw/zinc/42/56/44/428425644.db2.gz BNYZZWVPMJJCKU-ZDUSSCGKSA-N 2 0 324.490 2.905 20 0 DFADRP C[C@H]1C[C@H]([NH2+]Cc2cn(C)nc2-c2ccccc2Cl)CC[NH2+]1 ZINC000414951677 428469872 /nfs/dbraw/zinc/46/98/72/428469872.db2.gz PYGQIGLCCPKONQ-GXTWGEPZSA-N 2 0 318.852 2.971 20 0 DFADRP CCOc1cc(C[NH2+][C@@H]2CC[NH2+]C[C@@H]2C)ccc1OC(F)F ZINC000414950025 428469961 /nfs/dbraw/zinc/46/99/61/428469961.db2.gz FQOXYQWIUAPFFQ-WCQYABFASA-N 2 0 314.376 2.774 20 0 DFADRP CN(c1ccccc1)c1ccc(C[NH2+]CC[C@@H]2CC[NH2+]C2)cn1 ZINC000414830904 428426976 /nfs/dbraw/zinc/42/69/76/428426976.db2.gz MLUPGUOJGZUHEX-INIZCTEOSA-N 2 0 310.445 2.939 20 0 DFADRP CCOCc1cc(C[N@@H+]2CCC[C@H]([C@@H](C)[NH3+])C2)ccc1OC ZINC000347053550 428427038 /nfs/dbraw/zinc/42/70/38/428427038.db2.gz SNMMOPQDOHPRLF-ZBFHGGJFSA-N 2 0 306.450 2.791 20 0 DFADRP C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NCC1([NH3+])CCCCC1 ZINC000414837892 428429845 /nfs/dbraw/zinc/42/98/45/428429845.db2.gz HHNLLOBCATXBNO-WMZOPIPTSA-N 2 0 301.478 2.758 20 0 DFADRP Cc1ccc(NC(=O)C[C@H](C)[NH2+]C[C@@H]2CCC[NH2+]C2)cc1Cl ZINC000414838518 428430646 /nfs/dbraw/zinc/43/06/46/428430646.db2.gz WYVCYCTXAYOTQN-UONOGXRCSA-N 2 0 323.868 2.955 20 0 DFADRP Cc1ccc(C[NH2+]CC[C@@H]2CCC[NH2+]C2)c(-c2ccnn2C)c1 ZINC000414842586 428431259 /nfs/dbraw/zinc/43/12/59/428431259.db2.gz PEADSJWQWJUHDI-INIZCTEOSA-N 2 0 312.461 2.875 20 0 DFADRP C[N@H+]1CC=C(C[NH2+][C@@H]2CCC[C@H]2CNC(=O)OC(C)(C)C)CC1 ZINC000392201804 428480298 /nfs/dbraw/zinc/48/02/98/428480298.db2.gz JOGUESHMPXDKFH-JKSUJKDBSA-N 2 0 323.481 2.531 20 0 DFADRP CC[C@@H]([NH3+])C[NH2+][C@@H](C)Cc1ccc(Br)c(F)c1 ZINC000414996246 428482669 /nfs/dbraw/zinc/48/26/69/428482669.db2.gz XGVKHYUUHJILPG-GXSJLCMTSA-N 2 0 303.219 2.846 20 0 DFADRP C[C@H](Cc1ccc(Br)c(F)c1)[NH2+][C@H](C)[C@H](C)[NH3+] ZINC000415004827 428484911 /nfs/dbraw/zinc/48/49/11/428484911.db2.gz AGLORDCIDWWMDE-KXUCPTDWSA-N 2 0 303.219 2.845 20 0 DFADRP CC(C)(C)CC(=O)N1CCC([NH2+]C[C@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000414998049 428486363 /nfs/dbraw/zinc/48/63/63/428486363.db2.gz HSKFPUDQBAIPMT-GJZGRUSLSA-N 2 0 309.498 2.521 20 0 DFADRP C[C@@H](CCCNC(=O)OC(C)(C)C)[NH2+]C[C@@H]1CCC[N@H+](C)C1 ZINC000393922056 428487466 /nfs/dbraw/zinc/48/74/66/428487466.db2.gz AYJNZRQTCFCPLN-GJZGRUSLSA-N 2 0 313.486 2.611 20 0 DFADRP CC[NH+](CC)CCOC1CC[NH+](Cc2ncccc2C)CC1 ZINC000357329379 428487650 /nfs/dbraw/zinc/48/76/50/428487650.db2.gz DOMCFBYBUVKGJH-UHFFFAOYSA-N 2 0 305.466 2.713 20 0 DFADRP CC(C)C[C@H]([NH2+][C@@H](C)c1cccc(F)c1)C(=O)NCC[NH+](C)C ZINC000347193882 428489976 /nfs/dbraw/zinc/48/99/76/428489976.db2.gz JKUIMPXYDLZRNW-YOEHRIQHSA-N 2 0 323.456 2.569 20 0 DFADRP CC[N@H+](CCN[C@H]1CC[NH+](Cc2ccccn2)C[C@H]1C)C(C)C ZINC000360922033 428492281 /nfs/dbraw/zinc/49/22/81/428492281.db2.gz LMDZJKXCJFTFBP-MJGOQNOKSA-N 2 0 318.509 2.612 20 0 DFADRP c1ccc(CC(Cc2ccccc2)[NH2+]C[C@@H]2C[NH2+]CCCO2)cc1 ZINC000415031368 428493009 /nfs/dbraw/zinc/49/30/09/428493009.db2.gz DWCNTLLLSKVVPD-NRFANRHFSA-N 2 0 324.468 2.809 20 0 DFADRP CC[NH2+]CC1CC[NH+](Cc2cnn(Cc3ccccc3)c2)CC1 ZINC000347205574 428494242 /nfs/dbraw/zinc/49/42/42/428494242.db2.gz LUBNBRJVSOCDFJ-UHFFFAOYSA-N 2 0 312.461 2.753 20 0 DFADRP CC(C)C[C@H]([NH2+][C@H](C)c1ccccc1F)C(=O)NCC[NH+](C)C ZINC000347204947 428494350 /nfs/dbraw/zinc/49/43/50/428494350.db2.gz QHRCBQIUSOABDD-PBHICJAKSA-N 2 0 323.456 2.569 20 0 DFADRP c1cn(-c2ccc(C[N@@H+]3CCCC[C@H]3[C@@H]3CC[NH2+]C3)cc2)cn1 ZINC000415035641 428495277 /nfs/dbraw/zinc/49/52/77/428495277.db2.gz DXYSCHHNODEASE-MJGOQNOKSA-N 2 0 310.445 2.836 20 0 DFADRP CC(=O)Nc1ccc(C[N@@H+]2CCCC[C@@H]2[C@H]2CC[NH2+]C2)cc1 ZINC000415036697 428495811 /nfs/dbraw/zinc/49/58/11/428495811.db2.gz GCNRHWRLTDZIAS-FUHWJXTLSA-N 2 0 301.434 2.609 20 0 DFADRP c1cn(-c2ccc(C[N@@H+]3CCCC[C@@H]3[C@@H]3CC[NH2+]C3)cc2)cn1 ZINC000415035640 428495987 /nfs/dbraw/zinc/49/59/87/428495987.db2.gz DXYSCHHNODEASE-IEBWSBKVSA-N 2 0 310.445 2.836 20 0 DFADRP CCN(C)c1ccc(C[N@@H+]2CCCC[C@H]2[C@@H]2CC[NH2+]C2)cn1 ZINC000415056593 428503391 /nfs/dbraw/zinc/50/33/91/428503391.db2.gz SMQAYDRNMHFTMD-SJORKVTESA-N 2 0 302.466 2.502 20 0 DFADRP CC(C)C[C@H]([NH2+][C@H](C)C1CCCCC1)C(=O)NCC[NH+](C)C ZINC000347231842 428503819 /nfs/dbraw/zinc/50/38/19/428503819.db2.gz PMLGJLAJXWRUOF-WBVHZDCISA-N 2 0 311.514 2.637 20 0 DFADRP C[C@H](N[C@@H]1CCC[NH2+][C@H]1C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000396698510 428503947 /nfs/dbraw/zinc/50/39/47/428503947.db2.gz KHZWGJLEEDMONN-PBWTXFEYSA-N 2 0 301.478 2.627 20 0 DFADRP CC[NH2+]CC1CC[NH+](Cc2cnc([C@H]3CCCO3)s2)CC1 ZINC000347227860 428503951 /nfs/dbraw/zinc/50/39/51/428503951.db2.gz WPGZVAIYSRHEON-OAHLLOKOSA-N 2 0 309.479 2.816 20 0 DFADRP CCCOc1cc(C[N@@H+]2C[C@@H](C)[C@](C)(C[NH3+])C2)ccc1OC ZINC000415057450 428505180 /nfs/dbraw/zinc/50/51/80/428505180.db2.gz SVRZXWPBUWARMF-RDTXWAMCSA-N 2 0 306.450 2.901 20 0 DFADRP CC[C@@H](Cc1ccc(OC)c(OC)c1)[NH2+][C@H]1CCCC[NH2+]C1 ZINC000415069891 428510942 /nfs/dbraw/zinc/51/09/42/428510942.db2.gz PKTPPKYBGDYICQ-HOTGVXAUSA-N 2 0 306.450 2.757 20 0 DFADRP C[C@H]([NH2+]CC1(O)CC[NH+](Cc2ccccc2)CC1)[C@@H]1C[C@H]1C ZINC000397555553 428511509 /nfs/dbraw/zinc/51/15/09/428511509.db2.gz LGVMNTSVDNHYNC-SOLBZPMBSA-N 2 0 302.462 2.648 20 0 DFADRP C[C@@H]1C[C@@H](C[NH2+]CC2CC[NH+](Cc3ccccc3)CC2)CC[NH2+]1 ZINC000415082637 428513426 /nfs/dbraw/zinc/51/34/26/428513426.db2.gz DKXLZBCMISXERP-XLIONFOSSA-N 3 0 315.505 2.876 20 0 DFADRP C[N@H+](CCN[C@@H]1CC[NH2+][C@H](c2ccccc2)C1)C1CCCC1 ZINC000415079787 428513629 /nfs/dbraw/zinc/51/36/29/428513629.db2.gz KPDWHCUJOMGHEL-MJGOQNOKSA-N 2 0 301.478 2.944 20 0 DFADRP COCc1cc(C[NH2+][C@@H]2CC[N@H+](C)[C@@H]3CCC[C@@H]32)ccc1F ZINC000353386189 428513857 /nfs/dbraw/zinc/51/38/57/428513857.db2.gz LPVFAOHKCFETMI-KBAYOESNSA-N 2 0 306.425 2.935 20 0 DFADRP CC[NH+]1CCC(NC(=O)C[NH2+][C@@H](c2ccccc2)C(C)C)CC1 ZINC000357394190 428515186 /nfs/dbraw/zinc/51/51/86/428515186.db2.gz ZKBYCOSZYOOLGT-LJQANCHMSA-N 2 0 317.477 2.574 20 0 DFADRP C[C@@H]([NH2+]Cc1cc(F)cc(Br)c1)[C@@H]1CC[NH2+]C1 ZINC000415090292 428516053 /nfs/dbraw/zinc/51/60/53/428516053.db2.gz YWUIJYLGPTYXQL-MWLCHTKSSA-N 2 0 301.203 2.676 20 0 DFADRP COc1ccc(C(C)(C)C[NH2+]C[C@@H]([NH3+])CC(C)C)cc1OC ZINC000415085215 428516702 /nfs/dbraw/zinc/51/67/02/428516702.db2.gz SCIPZQRGKUAPQN-HNNXBMFYSA-N 2 0 308.466 2.944 20 0 DFADRP COCCOc1ccc(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)cc1 ZINC000415091181 428516815 /nfs/dbraw/zinc/51/68/15/428516815.db2.gz PUWWYZAQEGPMBE-GBESFXJTSA-N 2 0 318.461 2.722 20 0 DFADRP Cc1cc(C[N@@H+]2CCC[C@H](n3cc(C[NH3+])nn3)C2)ccc1Cl ZINC000415100831 428517499 /nfs/dbraw/zinc/51/74/99/428517499.db2.gz AOAYLSUGSVMHMV-HNNXBMFYSA-N 2 0 319.840 2.536 20 0 DFADRP COc1ccc(-c2n[nH]cc2C[N@@H+]2CC[C@@H](C)[C@@H](C[NH3+])C2)cc1 ZINC000415100914 428517777 /nfs/dbraw/zinc/51/77/77/428517777.db2.gz AUJOYUJRZUCUGT-HIFRSBDPSA-N 2 0 314.433 2.502 20 0 DFADRP Cc1ccc(C[C@H](CO)[NH2+][C@H](C)C[C@H]2CCCCC[NH2+]2)cc1 ZINC000415094669 428518764 /nfs/dbraw/zinc/51/87/64/428518764.db2.gz FJNVYOQYFFRUDL-BHIYHBOVSA-N 2 0 304.478 2.799 20 0 DFADRP COc1cc(C[N@@H+]2CC[C@@H](C)[C@H](C[NH3+])C2)ccc1OC(C)C ZINC000415101999 428522087 /nfs/dbraw/zinc/52/20/87/428522087.db2.gz CANJJVSOIXCION-GDBMZVCRSA-N 2 0 306.450 2.899 20 0 DFADRP C[N@@H+]1CC[C@H]([NH2+]Cc2ccc(Cn3ccnc3)cc2)[C@@H]2CCC[C@H]21 ZINC000353402460 428522476 /nfs/dbraw/zinc/52/24/76/428522476.db2.gz JACXNCVHVAXUKE-SLFFLAALSA-N 2 0 324.472 2.894 20 0 DFADRP [NH3+][C@H]1CCCO[C@@H]1C1CC[NH+](Cc2cccc(F)c2F)CC1 ZINC000415110099 428524120 /nfs/dbraw/zinc/52/41/20/428524120.db2.gz OXIXDQWLIDPKKS-DOTOQJQBSA-N 2 0 310.388 2.683 20 0 DFADRP CCCOc1ccc(C[N@@H+]2CC[C@@H](C)[C@@H](C[NH3+])C2)cc1OC ZINC000415129412 428532044 /nfs/dbraw/zinc/53/20/44/428532044.db2.gz PJMJXERAFRBDFU-ZBFHGGJFSA-N 2 0 306.450 2.901 20 0 DFADRP C[C@H]1C[C@H](C[NH2+]CCc2nc(-c3ccccn3)cs2)CC[NH2+]1 ZINC000415119174 428527544 /nfs/dbraw/zinc/52/75/44/428527544.db2.gz XCFQSSNGHGJTFH-UONOGXRCSA-N 2 0 316.474 2.725 20 0 DFADRP CC[C@@H]1CCC[C@@H](C[N@@H+]2CCC[C@@H](n3cc(C[NH3+])nn3)C2)C1 ZINC000415125490 428528837 /nfs/dbraw/zinc/52/88/37/428528837.db2.gz LHDQSIJLROXIFR-BFYDXBDKSA-N 2 0 305.470 2.590 20 0 DFADRP CC[C@@H](C[N@@H+]1CCC[C@@H](n2cc(C[NH3+])nn2)C1)c1ccccc1 ZINC000415126440 428528906 /nfs/dbraw/zinc/52/89/06/428528906.db2.gz MDKHXFYVQCZCJE-MAUKXSAKSA-N 2 0 313.449 2.568 20 0 DFADRP CCO[C@@H]1C[C@@H]([NH2+]C2CC[NH+](C(C)(C)C)CC2)[C@]12CCCO2 ZINC000361018343 428529649 /nfs/dbraw/zinc/52/96/49/428529649.db2.gz LWUSAFBYDBRYQG-JFIYKMOQSA-N 2 0 310.482 2.566 20 0 DFADRP COc1ccc(C[NH2+][C@H]2CC[NH2+]C[C@H]2C)cc1Br ZINC000414965001 428475447 /nfs/dbraw/zinc/47/54/47/428475447.db2.gz VHRLNMIBCJLWOU-MFKMUULPSA-N 2 0 313.239 2.545 20 0 DFADRP C[C@H]1C[NH2+]CC[C@H]1[NH2+]Cc1c[nH]nc1-c1cccc(Cl)c1 ZINC000414963654 428476360 /nfs/dbraw/zinc/47/63/60/428476360.db2.gz UJSZVIJGPUMDHM-XHDPSFHLSA-N 2 0 304.825 2.818 20 0 DFADRP c1cn(-c2ccc(C[N@@H+]3CCC[C@H]([C@@H]4CCC[NH2+]4)C3)cc2)cn1 ZINC000391007027 428477014 /nfs/dbraw/zinc/47/70/14/428477014.db2.gz IJGIVKUIQSABGI-HKUYNNGSSA-N 2 0 310.445 2.836 20 0 DFADRP Cc1cc(C[N@@H+]2CC3(CC[NH2+]CC3)[C@@H]3COC[C@@H]32)ccc1Cl ZINC000415133718 428532531 /nfs/dbraw/zinc/53/25/31/428532531.db2.gz CWRJJYIKPOCYTQ-WBVHZDCISA-N 2 0 320.864 2.849 20 0 DFADRP [NH3+]Cc1cn([C@H]2CCC[N@H+](Cc3ccc4ccccc4c3)C2)nn1 ZINC000415128529 428532648 /nfs/dbraw/zinc/53/26/48/428532648.db2.gz OGKXNIZCJNRGRW-IBGZPJMESA-N 2 0 321.428 2.727 20 0 DFADRP Fc1ccc(C[N@@H+]2CC3(CC[NH2+]CC3)[C@@H]3COC[C@@H]32)c(Cl)c1 ZINC000415141553 428536463 /nfs/dbraw/zinc/53/64/63/428536463.db2.gz PPVZARNTJKJFFE-ZBFHGGJFSA-N 2 0 324.827 2.680 20 0 DFADRP CC(C)[C@H](C(=O)NCC[C@@H](C)[N@H+](C)Cc1ccccc1)[C@@H](C)[NH3+] ZINC000399696521 428541329 /nfs/dbraw/zinc/54/13/29/428541329.db2.gz ZOWSUWDUBDUISO-NUJGCVRESA-N 2 0 319.493 2.633 20 0 DFADRP C[N@@H+]1CCCC[C@@H]1CC[NH+]1C[C@@H](c2ccsc2)[C@H](CO)C1 ZINC000347315587 428542594 /nfs/dbraw/zinc/54/25/94/428542594.db2.gz QDEVFZWRDMJIJH-BBWFWOEESA-N 2 0 308.491 2.630 20 0 DFADRP C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)CC[C@@H]1CCCC[N@@H+]1C ZINC000353452041 428543004 /nfs/dbraw/zinc/54/30/04/428543004.db2.gz WAMAHOIKLOUCNR-ZACQAIPSSA-N 2 0 309.498 2.630 20 0 DFADRP C[C@H]1C[NH2+]CCN1C(=O)Nc1cccc(Oc2ccncc2)c1 ZINC000415185784 428543619 /nfs/dbraw/zinc/54/36/19/428543619.db2.gz MFDRBVYFCWVTAN-ZDUSSCGKSA-N 2 0 312.373 2.700 20 0 DFADRP COCCOc1ccc(C[NH2+]C2CCC([NH+](C)C)CC2)cc1 ZINC000353457939 428544257 /nfs/dbraw/zinc/54/42/57/428544257.db2.gz APVPIIGRGTWWEE-UHFFFAOYSA-N 2 0 306.450 2.674 20 0 DFADRP CC(C)[C@H](C[N@H+](C)Cc1ccccc1)N[C@H](C)[C@H]1CCC[NH2+]1 ZINC000400454637 428545656 /nfs/dbraw/zinc/54/56/56/428545656.db2.gz RZRALHZIDPUAQX-QRQLOZEOSA-N 2 0 303.494 2.873 20 0 DFADRP C[C@H](N[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1)[C@@H]1CCC[NH2+]1 ZINC000400478991 428546225 /nfs/dbraw/zinc/54/62/25/428546225.db2.gz VSEHOTSKVPOMNP-DKKFBQAASA-N 2 0 301.478 2.770 20 0 DFADRP c1ccc(CN2CCC([NH2+][C@@H]3CC[C@H]4C[NH2+]C[C@@H]4C3)CC2)cc1 ZINC000401045800 428550281 /nfs/dbraw/zinc/55/02/81/428550281.db2.gz VRTLFVGTXOZXHA-CMKODMSKSA-N 2 0 313.489 2.629 20 0 DFADRP C[C@@H]1CN(Cc2ccccc2)C[C@H]1[NH2+][C@H](CO)C1CCCC1 ZINC000353476734 428553155 /nfs/dbraw/zinc/55/31/55/428553155.db2.gz ATWZXCQIVHKNDD-ATZDWAIDSA-N 2 0 302.462 2.648 20 0 DFADRP C[C@H](CNC(=O)[C@@H](C)[NH+]1CCCCCC1)[N@@H+]1CCCC[C@H]1C ZINC000357774835 428562476 /nfs/dbraw/zinc/56/24/76/428562476.db2.gz ZNGLYXQOMDMWHX-BRWVUGGUSA-N 2 0 309.498 2.630 20 0 DFADRP CC(C[NH+](C(C)C)[C@@H]1CCOC1)C[N@H+](C(C)C)[C@@H]1CCOC1 ZINC000361409489 428565021 /nfs/dbraw/zinc/56/50/21/428565021.db2.gz WDTRFMAUCTVLCF-QZTJIDSGSA-N 2 0 312.498 2.621 20 0 DFADRP C[C@H]([NH3+])CCC(=O)N1C[C@H](C)[N@H+](Cc2ccccc2)[C@@H](C)[C@@H]1C ZINC000404326095 428566152 /nfs/dbraw/zinc/56/61/52/428566152.db2.gz VHVBCTWYEUJTLL-QAETUUGQSA-N 2 0 317.477 2.624 20 0 DFADRP CCC[N@H+](CC)C[C@H](C)NC1CC[NH+](Cc2ccncc2)CC1 ZINC000353501409 428566988 /nfs/dbraw/zinc/56/69/88/428566988.db2.gz ZARGMXVMXJCLLK-KRWDZBQOSA-N 2 0 318.509 2.756 20 0 DFADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)Cc1ccsc1C ZINC000353501459 428568600 /nfs/dbraw/zinc/56/86/00/428568600.db2.gz IPBVBBYQIUPSBV-QGZVFWFLSA-N 2 0 309.523 2.904 20 0 DFADRP OC[C@H](C[NH2+][C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21)C1CC1 ZINC000353509011 428570694 /nfs/dbraw/zinc/57/06/94/428570694.db2.gz IICYVWGMVHHIJI-VNTMZGSJSA-N 2 0 314.473 2.505 20 0 DFADRP C[N@@H+]1CC[C@H]([NH2+]Cc2cccc(-n3ccnc3)c2)[C@@H]2CCC[C@@H]21 ZINC000353521581 428575051 /nfs/dbraw/zinc/57/50/51/428575051.db2.gz QFJBQZPJWJNYTJ-FHWLQOOXSA-N 2 0 310.445 2.835 20 0 DFADRP Cc1sccc1C[N@@H+]1CCN(C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000353520638 428575678 /nfs/dbraw/zinc/57/56/78/428575678.db2.gz OEAIKHCQRRBTDV-CQSZACIVSA-N 2 0 307.507 2.657 20 0 DFADRP CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)[C@@H]2CC[NH2+][C@@H]2C(C)C)C1 ZINC000353526705 428578666 /nfs/dbraw/zinc/57/86/66/428578666.db2.gz RZYLJACTGVPNTB-BRWVUGGUSA-N 2 0 323.525 2.637 20 0 DFADRP C[C@H](C[NH+]1CCCCCC1)NC(=O)[C@H](C)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000361838330 428598959 /nfs/dbraw/zinc/59/89/59/428598959.db2.gz SIBDEWJIUHUHBU-NCOADZHNSA-N 2 0 309.498 2.628 20 0 DFADRP C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)Nc1ccccc1CC[NH+](C)C ZINC000415569869 428599415 /nfs/dbraw/zinc/59/94/15/428599415.db2.gz LLHQKVSWAVNDSO-YOEHRIQHSA-N 2 0 318.465 2.524 20 0 DFADRP CCCCN(C)C[C@H](C)[NH2+]C1CCN(Cc2cccnc2)CC1 ZINC000353575428 428602069 /nfs/dbraw/zinc/60/20/69/428602069.db2.gz ZZLOPBFEXMXUJR-KRWDZBQOSA-N 2 0 318.509 2.756 20 0 DFADRP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC1CC[NH+](C2CCCCC2)CC1 ZINC000361973953 428608375 /nfs/dbraw/zinc/60/83/75/428608375.db2.gz ZSPDAIPPYUHSOR-DNVCBOLYSA-N 2 0 305.510 2.856 20 0 DFADRP CCC(C)(C)[NH2+][C@H](C)C(=O)N(C)CCC[N@H+](C)Cc1ccco1 ZINC000344038033 428615700 /nfs/dbraw/zinc/61/57/00/428615700.db2.gz YYIFGDNIOGNVIE-OAHLLOKOSA-N 2 0 323.481 2.727 20 0 DFADRP c1cc(CCC[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)cc2c1OCC2 ZINC000373603311 428617382 /nfs/dbraw/zinc/61/73/82/428617382.db2.gz IUVMYYYWWNXFRJ-QZTJIDSGSA-N 2 0 300.446 2.771 20 0 DFADRP CCCC[N@H+](C)C[C@@H](C)NC(=O)Nc1ccc2c(c1)C[NH2+]CC2 ZINC000415900564 428619210 /nfs/dbraw/zinc/61/92/10/428619210.db2.gz UBIBYENDJACOBP-CQSZACIVSA-N 2 0 318.465 2.574 20 0 DFADRP CSC1(C[NH2+][C@H](C)c2cnn(C(C)C)c2)CC[NH+](C)CC1 ZINC000353610502 428621363 /nfs/dbraw/zinc/62/13/63/428621363.db2.gz NDSPPNLTKRJWAC-CQSZACIVSA-N 2 0 310.511 2.942 20 0 DFADRP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)Nc1ccccc1C[NH2+]C ZINC000415908618 428621639 /nfs/dbraw/zinc/62/16/39/428621639.db2.gz DNWMTLXOQOQLEW-MRXNPFEDSA-N 2 0 318.465 2.792 20 0 DFADRP CC[NH2+]Cc1cccc(NC(=O)N2CC[C@@H](C[N@H+](C)CC)C2)c1 ZINC000415909042 428621650 /nfs/dbraw/zinc/62/16/50/428621650.db2.gz RLBZMGHZMKHJII-INIZCTEOSA-N 2 0 318.465 2.602 20 0 DFADRP CCc1cccc(F)c1C[N@H+](C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000353615798 428623575 /nfs/dbraw/zinc/62/35/75/428623575.db2.gz LWLWGANYVXJWPS-HNNXBMFYSA-N 2 0 322.468 2.913 20 0 DFADRP CC[NH2+]Cc1ccccc1NC(=O)N1CC[N@H+](C)C[C@H]1C(C)C ZINC000415919530 428626247 /nfs/dbraw/zinc/62/62/47/428626247.db2.gz NBMHXQHZCJFVQS-KRWDZBQOSA-N 2 0 318.465 2.600 20 0 DFADRP CC[NH2+]Cc1ccccc1NC(=O)N1CC[N@H+](C)C[C@@H]1C(C)C ZINC000415919531 428627434 /nfs/dbraw/zinc/62/74/34/428627434.db2.gz NBMHXQHZCJFVQS-QGZVFWFLSA-N 2 0 318.465 2.600 20 0 DFADRP CC[NH2+]Cc1cccc(NC(=O)N2CCC[C@@H]([NH+](C)C)CC2)c1 ZINC000415924339 428628335 /nfs/dbraw/zinc/62/83/35/428628335.db2.gz WHTILONQTBEBDS-QGZVFWFLSA-N 2 0 318.465 2.744 20 0 DFADRP C[NH2+]Cc1cccc(NC(=O)N(C)[C@@H](C)C2CC[NH+](C)CC2)c1 ZINC000415936969 428630214 /nfs/dbraw/zinc/63/02/14/428630214.db2.gz WOEZXXIAULWKLO-AWEZNQCLSA-N 2 0 318.465 2.600 20 0 DFADRP CC[NH2+]Cc1cccc(NC(=O)N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000415931351 428630895 /nfs/dbraw/zinc/63/08/95/428630895.db2.gz KVOPLNSOXIGGPW-DLBZAZTESA-N 2 0 316.449 2.544 20 0 DFADRP CC[NH2+]Cc1ccccc1NC(=O)N[C@@H](C)C[N@H+](C)C(C)C ZINC000415930732 428631278 /nfs/dbraw/zinc/63/12/78/428631278.db2.gz KSVLZLUWJLLPDF-AWEZNQCLSA-N 2 0 306.454 2.646 20 0 DFADRP Cc1ncc(C[N@@H+]2CC[C@H](Nc3cc[nH+]cc3C)[C@H](C)C2)s1 ZINC000373517499 428595951 /nfs/dbraw/zinc/59/59/51/428595951.db2.gz DALYNJZZLYKKDR-DYVFJYSZSA-N 2 0 316.474 2.899 20 0 DFADRP COC[C@H](Cc1ccccc1)[NH2+]C1CC[NH+](C2CCC2)CC1 ZINC000360494147 274049595 /nfs/dbraw/zinc/04/95/95/274049595.db2.gz CAVBHLPTEVPQPQ-SFHVURJKSA-N 2 0 302.462 2.851 20 0 DFADRP CC[N@@H+]1CC[C@@H](N(C)C(=O)Nc2ccc(C[NH2+]C)cc2)C[C@@H]1C ZINC000415971764 428638540 /nfs/dbraw/zinc/63/85/40/428638540.db2.gz KQANMKNJRKXIJT-WMLDXEAASA-N 2 0 318.465 2.743 20 0 DFADRP CC1CC[NH+](CC2CC[NH+](C[C@@H](O)CC(F)(F)F)CC2)CC1 ZINC000373724117 428639430 /nfs/dbraw/zinc/63/94/30/428639430.db2.gz BNLCGRKOXXRUFX-HNNXBMFYSA-N 2 0 322.415 2.744 20 0 DFADRP C[NH+]1CCC2(CCC[N@@H+]2Cc2cnn(Cc3ccccc3)c2)CC1 ZINC000373694119 428635317 /nfs/dbraw/zinc/63/53/17/428635317.db2.gz DSLBPIGPVSRDLA-UHFFFAOYSA-N 2 0 324.472 2.992 20 0 DFADRP CC[NH2+]Cc1ccccc1NC(=O)N(C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000415956783 428635324 /nfs/dbraw/zinc/63/53/24/428635324.db2.gz OQVJLMYAMOPQIP-GDBMZVCRSA-N 2 0 318.465 2.743 20 0 DFADRP CCc1cccc(C[N@@H+]2CC[C@H](N3CC[NH+](C(C)C)CC3)C2)c1 ZINC000373739275 428644283 /nfs/dbraw/zinc/64/42/83/428644283.db2.gz VZRYXIOPNQGETG-FQEVSTJZSA-N 2 0 315.505 2.849 20 0 DFADRP COc1ccc2c(c1)C[C@H]([NH2+]C1CC[NH+](C(C)(C)C)CC1)CO2 ZINC000297115493 274126717 /nfs/dbraw/zinc/12/67/17/274126717.db2.gz YHKWIBKGPBWCJD-INIZCTEOSA-N 2 0 318.461 2.851 20 0 DFADRP O=C(NCCC[NH2+]C1CCCCC1)Nc1ccc2c(c1)C[NH2+]C2 ZINC000415996729 428645258 /nfs/dbraw/zinc/64/52/58/428645258.db2.gz NOLZASPOYOHYRM-UHFFFAOYSA-N 2 0 316.449 2.724 20 0 DFADRP CCCC[N@H+](C)C[C@@H](C)NC(=O)Nc1ccc2c(c1)C[NH2+]C2 ZINC000416001900 428646417 /nfs/dbraw/zinc/64/64/17/428646417.db2.gz CNMXUJQMCNVJQK-CYBMUJFWSA-N 2 0 304.438 2.532 20 0 DFADRP CCC[C@](C)([NH3+])C(=O)NC[C@@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000353666187 428646901 /nfs/dbraw/zinc/64/69/01/428646901.db2.gz YNCTXAZUQUNDPX-LXZKKBNFSA-N 2 0 323.506 2.765 20 0 DFADRP COc1cccc2c1CC[C@H]([NH2+]CC1(C)CC[NH+](C)CC1)C2 ZINC000277361381 274153286 /nfs/dbraw/zinc/15/32/86/274153286.db2.gz ZXDWNVYBQKUMHB-INIZCTEOSA-N 2 0 302.462 2.874 20 0 DFADRP CC[N@H+](CCC1CC[NH+]([C@@H]2CCCCNC2=O)CC1)CC(C)C ZINC000358739072 428651808 /nfs/dbraw/zinc/65/18/08/428651808.db2.gz DXJMWOXDEAUACE-GOSISDBHSA-N 2 0 323.525 2.735 20 0 DFADRP Clc1ccc(-c2n[nH]cc2CN2C[C@@H]3CCC[NH2+][C@@H]3C2)cc1 ZINC000353700295 428665329 /nfs/dbraw/zinc/66/53/29/428665329.db2.gz CPLKMXNKTSEQRT-XJKSGUPXSA-N 2 0 316.836 2.914 20 0 DFADRP C[N@@H+]1CCCC[C@@H]1CCN1CCC[C@@H](C(=O)OC(C)(C)C)C1 ZINC000362252238 428676416 /nfs/dbraw/zinc/67/64/16/428676416.db2.gz WIAPZLNKQFAEHL-HZPDHXFCSA-N 2 0 310.482 2.915 20 0 DFADRP C[C@@H]1CCC[C@H]([NH+]2CCC([NH2+][C@H]3CCc4c[nH]nc4C3)CC2)C1 ZINC000358774968 428669335 /nfs/dbraw/zinc/66/93/35/428669335.db2.gz OEAHSGFGNKTALJ-JLSDUUJJSA-N 2 0 316.493 2.900 20 0 DFADRP C[C@H]1C[N@H+](CC2CCCCCC2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000374255028 428670927 /nfs/dbraw/zinc/67/09/27/428670927.db2.gz OSQLGHAVMWNCBF-PKOBYXMFSA-N 2 0 307.526 2.915 20 0 DFADRP CC[C@H](C(=O)NCCCC[N@@H+]1CCCC[C@@H]1C)[NH+](CC)CC ZINC000344540911 428673773 /nfs/dbraw/zinc/67/37/73/428673773.db2.gz KQVCYRNFSMUCAH-DLBZAZTESA-N 2 0 311.514 2.878 20 0 DFADRP C[C@@H]1C[C@H]([NH2+]C[C@@]2(C)CCOC2)CN(Cc2ccccc2)C1 ZINC000344751054 428702496 /nfs/dbraw/zinc/70/24/96/428702496.db2.gz PIXPPSWJFNYFAY-NZSAHSFTSA-N 2 0 302.462 2.913 20 0 DFADRP CCCC[N@@H+]1CCCC[C@H]1CNC(=O)[C@@H](C1CC1)[NH+]1CCCC1 ZINC000353764412 428704767 /nfs/dbraw/zinc/70/47/67/428704767.db2.gz XYBRFDRVFUMHQM-ZWKOTPCHSA-N 2 0 321.509 2.632 20 0 DFADRP Cc1ncc(C[NH2+]C2CCC([NH+]3CCC(C)CC3)CC2)cn1 ZINC000344846345 428713438 /nfs/dbraw/zinc/71/34/38/428713438.db2.gz LPPWBYZPSDBASO-UHFFFAOYSA-N 2 0 302.466 2.918 20 0 DFADRP CCCC[C@@H]([NH3+])C(=O)Nc1cccc(CC[NH+]2CCCC2)c1 ZINC000353725486 428677382 /nfs/dbraw/zinc/67/73/82/428677382.db2.gz AIKHSRFOKSEUTF-QGZVFWFLSA-N 2 0 303.450 2.781 20 0 DFADRP CC(C)[NH+]1CCC(O)(C[NH2+]C[C@H]2C[C@H]2c2ccccc2)CC1 ZINC000348250115 428679670 /nfs/dbraw/zinc/67/96/70/428679670.db2.gz WCHJNPIMPGGFDJ-MSOLQXFVSA-N 2 0 302.462 2.615 20 0 DFADRP CC(C)[C@@H](C(=O)NCC1([NH+](C)C)CCCCC1)[NH+]1CCCCC1 ZINC000358809696 428685936 /nfs/dbraw/zinc/68/59/36/428685936.db2.gz FDCKLTUEXFFAEE-KRWDZBQOSA-N 2 0 323.525 2.878 20 0 DFADRP CC(C)[NH+]1CCC(O)(C[NH2+]Cc2coc3ccccc23)CC1 ZINC000344629610 428686281 /nfs/dbraw/zinc/68/62/81/428686281.db2.gz LHCIPOWDLJTJPI-UHFFFAOYSA-N 2 0 302.418 2.758 20 0 DFADRP CC[NH+]1CCN([C@@H]2CC[N@H+](CCc3ccc(Cl)cc3)C2)CC1 ZINC000362296806 428692640 /nfs/dbraw/zinc/69/26/40/428692640.db2.gz AUYGYIKOFNITQG-GOSISDBHSA-N 2 0 321.896 2.594 20 0 DFADRP C[N@@H+](CC(=O)OC(C)(C)C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000374850995 428762323 /nfs/dbraw/zinc/76/23/23/428762323.db2.gz CWIHHTCALJBOMA-UHFFFAOYSA-N 2 0 319.449 2.572 20 0 DFADRP Cn1cc(-c2cccc(C[NH2+]CC3(C)CC[NH+](C)CC3)c2)cn1 ZINC000374846078 428763705 /nfs/dbraw/zinc/76/37/05/428763705.db2.gz NUJCXLDVXHSUFD-UHFFFAOYSA-N 2 0 312.461 2.909 20 0 DFADRP CC[N@@H+]1CC[C@@H](N(C)Cc2ccc(C(=O)OC)c(F)c2)C[C@H]1C ZINC000362481483 428763954 /nfs/dbraw/zinc/76/39/54/428763954.db2.gz XDRBIKNWGSHPGV-UKRRQHHQSA-N 2 0 322.424 2.917 20 0 DFADRP C[C@@H]1CCC[C@H](C[N@@H+]2CCCC[C@@H](N3CCN(C)CC3)C2)C1 ZINC000374873479 428769366 /nfs/dbraw/zinc/76/93/66/428769366.db2.gz HNRKHAOIKQQHCH-CEXWTWQISA-N 2 0 307.526 2.915 20 0 DFADRP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]CC1CCN(c2ccccc2)CC1 ZINC000359019182 428775159 /nfs/dbraw/zinc/77/51/59/428775159.db2.gz ZTNSHHOXXSKCKH-APWZRJJASA-N 2 0 301.478 2.833 20 0 DFADRP CCC[N@H+](CC)Cc1ccc(C(=O)N[C@@H](C)CC[NH+](C)C)cc1 ZINC000353959780 428793127 /nfs/dbraw/zinc/79/31/27/428793127.db2.gz LMFFYGBOHTVZBJ-INIZCTEOSA-N 2 0 319.493 2.989 20 0 DFADRP CCOC[C@@H]1CCC[C@H]1[NH2+]Cc1cccc(OCC[NH+](C)C)c1 ZINC000353940077 428786211 /nfs/dbraw/zinc/78/62/11/428786211.db2.gz ACZQGEYHGIUIIN-PKOBYXMFSA-N 2 0 320.477 2.922 20 0 DFADRP CCOC[C@@H]1CCC[C@@H]1[NH2+]Cc1ccc(OCC[NH+](C)C)cc1 ZINC000353941249 428787332 /nfs/dbraw/zinc/78/73/32/428787332.db2.gz FTNNBRLSJNTRGQ-HKUYNNGSSA-N 2 0 320.477 2.922 20 0 DFADRP Cc1cc(CC[NH2+][C@H](C)c2cccc(OCC[NH+](C)C)c2)on1 ZINC000353946704 428788476 /nfs/dbraw/zinc/78/84/76/428788476.db2.gz JBFXGQVMGWBXIY-OAHLLOKOSA-N 2 0 317.433 2.817 20 0 DFADRP CC[NH+](CC)C[C@@H]1CCCC[C@H]1[NH2+]C[C@@H](O)CC(F)(F)F ZINC000348412118 428735855 /nfs/dbraw/zinc/73/58/55/428735855.db2.gz ZPYYHNNXYXHUPW-MELADBBJSA-N 2 0 310.404 2.790 20 0 DFADRP Cc1ccc(CCC[N@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@@H]32)cn1 ZINC000353828104 428736544 /nfs/dbraw/zinc/73/65/44/428736544.db2.gz QIPXFLYIQOTFDR-GBESFXJTSA-N 2 0 317.477 2.506 20 0 DFADRP Cc1ccc(CCC[N@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@H]32)cn1 ZINC000353828105 428737284 /nfs/dbraw/zinc/73/72/84/428737284.db2.gz QIPXFLYIQOTFDR-GUDVDZBRSA-N 2 0 317.477 2.506 20 0 DFADRP COc1cc([C@H](C)[NH2+]CCC[N@@H+]2CCCO[C@H](C)C2)ccc1F ZINC000348424111 428741509 /nfs/dbraw/zinc/74/15/09/428741509.db2.gz QFAZKBFMSQEOMV-CABCVRRESA-N 2 0 324.440 2.986 20 0 DFADRP CC(CC[NH+]1CCOC(C)(C)C1)CC[N@@H+]1CCOC(C)(C)C1 ZINC000411126265 428742771 /nfs/dbraw/zinc/74/27/71/428742771.db2.gz MTGCVVGQKDWUCA-UHFFFAOYSA-N 2 0 312.498 2.624 20 0 DFADRP CC(CC[NH+]1C[C@H](C)OC[C@@H]1C)CC[N@@H+]1C[C@H](C)OC[C@@H]1C ZINC000411145832 428744601 /nfs/dbraw/zinc/74/46/01/428744601.db2.gz MGWQDQBCPPKQLN-XSLAGTTESA-N 2 0 312.498 2.621 20 0 DFADRP C[C@H]([NH2+]C[C@@H](CO)C1CC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000353846288 428744741 /nfs/dbraw/zinc/74/47/41/428744741.db2.gz ABIMMCQKHKTMJJ-SNRMKQJTSA-N 2 0 302.462 2.505 20 0 DFADRP OC[C@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)C1CC1 ZINC000353851113 428747218 /nfs/dbraw/zinc/74/72/18/428747218.db2.gz PFITWCBBPHQDJS-UMQXSMKFSA-N 2 0 314.473 2.790 20 0 DFADRP C[N@@H+]1CCCN(Cc2cccc(C[NH+]3CCCCC3)c2)CC1 ZINC000411152705 428749479 /nfs/dbraw/zinc/74/94/79/428749479.db2.gz HLLUFJJYHCJRAM-UHFFFAOYSA-N 2 0 301.478 2.810 20 0 DFADRP CC(CC[NH+](C)[C@@H]1CCCOC1)CC[N@H+](C)[C@@H]1CCCOC1 ZINC000411721210 428847579 /nfs/dbraw/zinc/84/75/79/428847579.db2.gz ROPNBVFIORANKI-QZTJIDSGSA-N 2 0 312.498 2.624 20 0 DFADRP CC[C@H]([NH2+]CC(=O)NC1CC[NH+](C(C)C)CC1)c1ccccc1 ZINC000411452619 428799476 /nfs/dbraw/zinc/79/94/76/428799476.db2.gz HBGGOIFOUFEHKS-SFHVURJKSA-N 2 0 317.477 2.716 20 0 DFADRP Cc1ccc([C@@H](C)[NH2+]CC(=O)NC2CC[NH+](C(C)C)CC2)cc1 ZINC000411462534 428803487 /nfs/dbraw/zinc/80/34/87/428803487.db2.gz QWQXHIFQUUALBD-MRXNPFEDSA-N 2 0 317.477 2.635 20 0 DFADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)CCC(C)(C)C ZINC000348639497 428805243 /nfs/dbraw/zinc/80/52/43/428805243.db2.gz YTRJXFXOELEDPK-INIZCTEOSA-N 2 0 311.514 2.687 20 0 DFADRP CCCC[C@H]([NH2+]CC(=O)NC1CC[NH+](C(C)C)CC1)C1CCC1 ZINC000411516296 428810020 /nfs/dbraw/zinc/81/00/20/428810020.db2.gz JNFNSGCFAIAODH-SFHVURJKSA-N 2 0 323.525 2.924 20 0 DFADRP CC(C)[C@@H]1CCCC[C@@H]1[NH2+]CC(=O)NC1CC[NH+](C(C)C)CC1 ZINC000411520582 428810265 /nfs/dbraw/zinc/81/02/65/428810265.db2.gz QPDBTRPROOJOIS-ROUUACIJSA-N 2 0 323.525 2.780 20 0 DFADRP CC(C)[N@@H+]1CCc2nc(CN(C)[C@H]3CCCOC3)sc2C1 ZINC000348714428 428817522 /nfs/dbraw/zinc/81/75/22/428817522.db2.gz NSPIVVYMQOTJII-ZDUSSCGKSA-N 2 0 309.479 2.520 20 0 DFADRP C[C@H]1CC[N@H+](Cc2cccc(C[NH+]3CCCCC3)c2)[C@@H]1CO ZINC000411620004 428824272 /nfs/dbraw/zinc/82/42/72/428824272.db2.gz PJIDKLZSVOEUPN-QFBILLFUSA-N 2 0 302.462 2.875 20 0 DFADRP CC[N@H+](CC(=O)NC1CC[NH+](C(C)C)CC1)[C@@H]1CCCC[C@H]1C ZINC000411619496 428825442 /nfs/dbraw/zinc/82/54/42/428825442.db2.gz XKMFJZRAGXTVOQ-SJLPKXTDSA-N 2 0 323.525 2.876 20 0 DFADRP C[C@@H]1[C@@H](CO)CC[N@@H+]1Cc1cccc(C[NH+]2CCCCC2)c1 ZINC000411655147 428834215 /nfs/dbraw/zinc/83/42/15/428834215.db2.gz IRJNUZVFKSSLAE-VQIMIIECSA-N 2 0 302.462 2.875 20 0 DFADRP C[C@@H]1[C@@H](NC(=O)[C@@H](c2cccc(Cl)c2)N(C)C)CCC[N@@H+]1C ZINC000345317904 428842770 /nfs/dbraw/zinc/84/27/70/428842770.db2.gz KWBNYVQXWRFOTB-UHOFOFEASA-N 2 0 323.868 2.542 20 0 DFADRP C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)NCCCC[N@@H+]1CCCC[C@H]1C ZINC000417047394 428844900 /nfs/dbraw/zinc/84/49/00/428844900.db2.gz QKIWQBCAOPDKAY-IKGGRYGDSA-N 2 0 324.513 2.552 20 0 DFADRP C[C@H]([NH3+])[C@H]1CCCCN1C(=O)NCCCC[N@@H+]1CCCC[C@H]1C ZINC000417047395 428844985 /nfs/dbraw/zinc/84/49/85/428844985.db2.gz QKIWQBCAOPDKAY-IXDOHACOSA-N 2 0 324.513 2.552 20 0 DFADRP CC(=O)CC[N@@H+]1CC[C@]2(C1)CCCN(Cc1ccccc1)C2 ZINC000363324089 428907292 /nfs/dbraw/zinc/90/72/92/428907292.db2.gz JKTREJLNEUHUMR-IBGZPJMESA-N 2 0 300.446 2.954 20 0 DFADRP COc1cc(Cl)c(C[NH2+]CCOCC[NH+](C)C)cc1Cl ZINC000354197339 428908191 /nfs/dbraw/zinc/90/81/91/428908191.db2.gz ZJITZQMCRXOWGC-UHFFFAOYSA-N 2 0 321.248 2.670 20 0 DFADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)Cc1ccccc1OC ZINC000349059967 428909199 /nfs/dbraw/zinc/90/91/99/428909199.db2.gz CWSFDMVWNSJGKG-SFHVURJKSA-N 2 0 319.493 2.543 20 0 DFADRP CC[NH+](CC)CCO[C@H]1CC[N@H+](Cc2cc(C)ccc2OC)C1 ZINC000354088908 428854857 /nfs/dbraw/zinc/85/48/57/428854857.db2.gz WBYDYRUCMJGZTM-SFHVURJKSA-N 2 0 320.477 2.936 20 0 DFADRP CCC[C@H]([NH2+]C(C)C)C(=O)N1CCC(C[NH+](CC)CC)CC1 ZINC000354090527 428859085 /nfs/dbraw/zinc/85/90/85/428859085.db2.gz ISQSFFGCUJWGCX-KRWDZBQOSA-N 2 0 311.514 2.734 20 0 DFADRP C[C@H]([NH2+][C@H]1CCc2nccn2C1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000375377633 428866327 /nfs/dbraw/zinc/86/63/27/428866327.db2.gz GLRNIQQWDHZSLZ-WDSOQIARSA-N 3 0 324.472 2.698 20 0 DFADRP CC1(C)C[C@H]([NH2+]C[C@@H]2CC[N@H+](CCc3ccccc3)C2)CO1 ZINC000417893146 428870895 /nfs/dbraw/zinc/87/08/95/428870895.db2.gz DVZLZNCQJVWEIS-ROUUACIJSA-N 2 0 302.462 2.708 20 0 DFADRP CC[NH+](CC)C[C@H]1CCCC[C@H]1[NH2+]Cc1ccc(C(=O)OC)[nH]1 ZINC000359304108 428911100 /nfs/dbraw/zinc/91/11/00/428911100.db2.gz VMRHERMWOCNKQW-GDBMZVCRSA-N 2 0 321.465 2.792 20 0 DFADRP C[C@H]1C[C@H](O)C[N@H+](Cc2cccc(C[NH+]3CCCCC3)c2)C1 ZINC000411877064 428875263 /nfs/dbraw/zinc/87/52/63/428875263.db2.gz QFSAQXXRKDBYHR-LPHOPBHVSA-N 2 0 302.462 2.875 20 0 DFADRP C[C@H]1C[C@H](O)C[N@H+](Cc2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC000411877935 428876703 /nfs/dbraw/zinc/87/67/03/428876703.db2.gz QXEUBRNLTQXFCW-LPHOPBHVSA-N 2 0 302.462 2.875 20 0 DFADRP C[C@@H]1C[N@H+](CCC2CC[NH2+]CC2)C[C@@H](c2ccc(F)cc2)O1 ZINC000359229809 428877238 /nfs/dbraw/zinc/87/72/38/428877238.db2.gz ZLBSROOEQIBEPZ-KDOFPFPSSA-N 2 0 306.425 2.977 20 0 DFADRP CN(C)C(=O)c1ccccc1C[NH2+]CCCCC[NH+]1CCCC1 ZINC000418065385 428877889 /nfs/dbraw/zinc/87/78/89/428877889.db2.gz LMMLIBSYHNUDAK-UHFFFAOYSA-N 2 0 317.477 2.744 20 0 DFADRP CC[NH+]1CCN([C@H](C)C[NH2+][C@@H](c2ccc(F)cc2)C2CC2)CC1 ZINC000359278922 428900034 /nfs/dbraw/zinc/90/00/34/428900034.db2.gz UXNXAOODZCJKNF-DNVCBOLYSA-N 2 0 319.468 2.892 20 0 DFADRP CC[NH+]1CCN([C@@H](C)C[NH2+][C@@H](c2ccc(F)cc2)C2CC2)CC1 ZINC000359278923 428900586 /nfs/dbraw/zinc/90/05/86/428900586.db2.gz UXNXAOODZCJKNF-HNAYVOBHSA-N 2 0 319.468 2.892 20 0 DFADRP COCCOc1cccc(C[N@@H+]2CCCC23CC[NH+](C)CC3)c1 ZINC000375504460 428901702 /nfs/dbraw/zinc/90/17/02/428901702.db2.gz CWQQFTKWQYCZPB-UHFFFAOYSA-N 2 0 318.461 2.772 20 0 DFADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@H](CC(C)C)[NH+](CC)CC ZINC000349091622 428919456 /nfs/dbraw/zinc/91/94/56/428919456.db2.gz YSIVRRPROGTXKJ-DLBZAZTESA-N 2 0 311.514 2.734 20 0 DFADRP CC(C)[C@@H](C[NH2+]CCC[NH+]1CCC(O)CC1)c1ccccc1 ZINC000354217033 428919664 /nfs/dbraw/zinc/91/96/64/428919664.db2.gz PHTPZQQOKDYBET-LJQANCHMSA-N 2 0 304.478 2.863 20 0 DFADRP CC[N@@H+]1CC[C@H]([NH+](C)C[C@@H](O)COc2ccccc2C)C[C@H]1C ZINC000354220896 428921955 /nfs/dbraw/zinc/92/19/55/428921955.db2.gz FWFYQRJWEAWGBF-FGTMMUONSA-N 2 0 320.477 2.539 20 0 DFADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NCCCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000349115840 428922887 /nfs/dbraw/zinc/92/28/87/428922887.db2.gz DZISJCGOOBIXAO-KZNAEPCWSA-N 2 0 323.525 2.735 20 0 DFADRP CC[N@@H+]1CC[C@H]([NH+](C)C[C@H](O)COc2ccccc2C)C[C@H]1C ZINC000354220898 428924183 /nfs/dbraw/zinc/92/41/83/428924183.db2.gz FWFYQRJWEAWGBF-SQNIBIBYSA-N 2 0 320.477 2.539 20 0 DFADRP C[C@@H]1CC(C)(C)C[N@@H+]1CC(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000412048087 428925408 /nfs/dbraw/zinc/92/54/08/428925408.db2.gz UAIFTYSJBVNAET-NVXWUHKLSA-N 2 0 317.477 2.526 20 0 DFADRP CC(C)c1nccn1C[C@H]1CCC[N@@H+]1CC[C@@H]1CCC[NH+]1C ZINC000363480347 428926982 /nfs/dbraw/zinc/92/69/82/428926982.db2.gz XIZSPMWSTLYNSC-DLBZAZTESA-N 2 0 304.482 2.955 20 0 DFADRP c1nc([C@H]2CCCN(CC[NH+]3CCCCC3)C2)n2c1CCCC2 ZINC000375698599 428945422 /nfs/dbraw/zinc/94/54/22/428945422.db2.gz TWRJHNSPEUVUQF-KRWDZBQOSA-N 2 0 316.493 2.885 20 0 DFADRP Cc1nn(C)c(C)c1CN1C[C@@H]2C[N@H+](C)[C@H](c3ccccc3)[C@@H]2C1 ZINC000363572901 428945925 /nfs/dbraw/zinc/94/59/25/428945925.db2.gz KXXUILVPPDCKJD-DFQSSKMNSA-N 2 0 324.472 2.772 20 0 DFADRP C[N@@H+]1CCCN(CCC[NH2+][C@H](c2ccc(F)cc2)C2CC2)CC1 ZINC000359377265 428946098 /nfs/dbraw/zinc/94/60/98/428946098.db2.gz YGMTWSBRYLUNPM-IBGZPJMESA-N 2 0 319.468 2.894 20 0 DFADRP CC(=O)N1CC[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)c2ccccc21 ZINC000375720959 428952897 /nfs/dbraw/zinc/95/28/97/428952897.db2.gz UGFVASDQHDESEC-MMNRESRNSA-N 2 0 313.445 2.699 20 0 DFADRP CC(=O)N1CC[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)c2ccccc21 ZINC000375720960 428954555 /nfs/dbraw/zinc/95/45/55/428954555.db2.gz UGFVASDQHDESEC-YCXXCVGLSA-N 2 0 313.445 2.699 20 0 DFADRP COCCSCCC[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000375734663 428956611 /nfs/dbraw/zinc/95/66/11/428956611.db2.gz XHOTWNLAHRZKIA-WBVHZDCISA-N 2 0 312.523 2.705 20 0 DFADRP CCOC(=O)c1coc(CNC[C@@H]2CCC[N@@H+](C(C)C)C2)c1 ZINC000354331473 428972250 /nfs/dbraw/zinc/97/22/50/428972250.db2.gz RHNSJZSYPQAOHG-AWEZNQCLSA-N 2 0 308.422 2.666 20 0 DFADRP C[C@H]([NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)c1ccnn1-c1ccccc1 ZINC000423536482 428967135 /nfs/dbraw/zinc/96/71/35/428967135.db2.gz AJSLZKVIKYAMFU-VVLHAWIVSA-N 2 0 310.445 2.911 20 0 DFADRP CCOC(=O)[C@H]1CC[C@H]([NH2+]CCC[NH2+]C2CC2)c2ccccc21 ZINC000423557705 428970306 /nfs/dbraw/zinc/97/03/06/428970306.db2.gz NNXJCDNCQNVVJX-ROUUACIJSA-N 2 0 316.445 2.900 20 0 DFADRP CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc([C@H](C)[NH3+])cc1 ZINC000423796001 429022502 /nfs/dbraw/zinc/02/25/02/429022502.db2.gz GRZSFYDZVGWBAM-WMLDXEAASA-N 2 0 303.450 2.557 20 0 DFADRP CCCC[NH+]1CCC(NC(=O)c2ccccc2C[NH+](C)C)CC1 ZINC000433349447 429027939 /nfs/dbraw/zinc/02/79/39/429027939.db2.gz CBLREUFQNXVTJW-UHFFFAOYSA-N 2 0 317.477 2.743 20 0 DFADRP CC[NH+](CC)[C@H]1CCN(C(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC000433376663 429029855 /nfs/dbraw/zinc/02/98/55/429029855.db2.gz JXSRCANCDIHOFD-ZWKOTPCHSA-N 2 0 321.509 2.726 20 0 DFADRP CC(C)C[C@@H]1CCC[C@@H]([NH2+]CCCN2CCC[C@H]2C(N)=O)C1 ZINC000354333716 428972932 /nfs/dbraw/zinc/97/29/32/428972932.db2.gz JMGRISWERQNPJZ-BBWFWOEESA-N 2 0 309.498 2.521 20 0 DFADRP COc1ccc(C[N@H+](C)CCCn2ccnc2)c(C)c1OC ZINC000349403523 428981007 /nfs/dbraw/zinc/98/10/07/428981007.db2.gz CGEKKLOFUDMQMO-UHFFFAOYSA-N 2 0 303.406 2.731 20 0 DFADRP CC(C)[C@@H](C(=O)Nc1cc(C[NH3+])cc(C(F)(F)F)c1)[C@@H](C)[NH3+] ZINC000423624027 428986038 /nfs/dbraw/zinc/98/60/38/428986038.db2.gz PESXJAVSJBXRJU-NOZJJQNGSA-N 2 0 317.355 2.722 20 0 DFADRP Cc1cccc(C)c1NC(=O)[C@H](C)[NH+]1CCC(C[NH+](C)C)CC1 ZINC000354490443 428991465 /nfs/dbraw/zinc/99/14/65/428991465.db2.gz GTNRZLHFWMJWTO-INIZCTEOSA-N 2 0 317.477 2.904 20 0 DFADRP C[C@@H]([C@H](C)NC(=O)CCC[NH+]1CCC([NH3+])CC1)C1CCCCC1 ZINC000433126669 428998946 /nfs/dbraw/zinc/99/89/46/428998946.db2.gz DKLHWWBMLWUCEY-HOTGVXAUSA-N 2 0 323.525 2.911 20 0 DFADRP Cc1ccnc(NC[C@H]2CC[NH+](CC[C@H]3CCCC[N@H+]3C)C2)c1 ZINC000375868825 429002219 /nfs/dbraw/zinc/00/22/19/429002219.db2.gz HAIWKCDTHTUCSA-QZTJIDSGSA-N 2 0 316.493 2.998 20 0 DFADRP [NH3+][C@@H](CC(=O)N1CC[NH+](C2CCCCC2)CC1)c1ccccc1 ZINC000423708613 429003029 /nfs/dbraw/zinc/00/30/29/429003029.db2.gz HGDWVBXPPHTBOM-SFHVURJKSA-N 2 0 315.461 2.553 20 0 DFADRP CC(C)c1ccccc1NC(=O)CCC[NH+]1CCC([NH3+])CC1 ZINC000433158546 429003457 /nfs/dbraw/zinc/00/34/57/429003457.db2.gz BHWAKUDQJXFJJN-UHFFFAOYSA-N 2 0 303.450 2.952 20 0 DFADRP C[C@@H]1CC[C@@H](C)[NH+]1[C@H]1CCCN(C(=O)CCC2CC[NH2+]CC2)C1 ZINC000423725906 429004047 /nfs/dbraw/zinc/00/40/47/429004047.db2.gz IXBGWEGPKNFLKD-NUJGCVRESA-N 2 0 321.509 2.630 20 0 DFADRP CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)C1([NH3+])CCCCC1 ZINC000423748378 429007075 /nfs/dbraw/zinc/00/70/75/429007075.db2.gz UIGJUKPFMCMPQR-UHFFFAOYSA-N 2 0 317.477 2.758 20 0 DFADRP CC(C)C[NH+]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)CC1 ZINC000433182906 429007594 /nfs/dbraw/zinc/00/75/94/429007594.db2.gz PLYCQDJGAKAWTM-SFHVURJKSA-N 2 0 321.509 2.584 20 0 DFADRP C[C@H]([NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccccc1-n1ccnn1 ZINC000375890354 429008476 /nfs/dbraw/zinc/00/84/76/429008476.db2.gz SCPHKPRPIBJISS-ARFHVFGLSA-N 2 0 311.433 2.545 20 0 DFADRP CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)[C@]1(C)CCCC[NH2+]1 ZINC000423749123 429009384 /nfs/dbraw/zinc/00/93/84/429009384.db2.gz VJKHDSNUOQRHRN-IBGZPJMESA-N 2 0 317.477 2.629 20 0 DFADRP CN(CC[N@H+](C)C1CCCCC1)C(=O)[C@H]1CCCC[C@@]1(C)[NH3+] ZINC000423764410 429010853 /nfs/dbraw/zinc/01/08/53/429010853.db2.gz SWAKQHYBSPIFPD-SJLPKXTDSA-N 2 0 309.498 2.617 20 0 DFADRP CN(CC[N@H+](C)C1CCCCC1)C(=O)[C@H]1CCCC[C@]1(C)[NH3+] ZINC000423764406 429011376 /nfs/dbraw/zinc/01/13/76/429011376.db2.gz SWAKQHYBSPIFPD-AEFFLSMTSA-N 2 0 309.498 2.617 20 0 DFADRP C[C@@H]1[NH2+]CCC[C@H]1C(=O)Nc1cccc(CC[NH+]2CCCC2)c1 ZINC000423771102 429014083 /nfs/dbraw/zinc/01/40/83/429014083.db2.gz IRKAZFUHTLVZFP-MAUKXSAKSA-N 2 0 315.461 2.652 20 0 DFADRP Cc1cc(N2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)c2ccccc2[nH+]1 ZINC000375907159 429014479 /nfs/dbraw/zinc/01/44/79/429014479.db2.gz RNEINNVNGJEQOZ-MJGOQNOKSA-N 2 0 311.429 2.579 20 0 DFADRP CC(C)[NH+]1CCN([C@@H]2CC[N@@H+]([C@@H](C)c3ccccc3F)C2)CC1 ZINC000375905718 429014504 /nfs/dbraw/zinc/01/45/04/429014504.db2.gz NSDMIGJLRWCGHY-DLBZAZTESA-N 2 0 319.468 2.987 20 0 DFADRP CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)[C@H]([NH3+])CC1CCCCC1 ZINC000423453030 429090668 /nfs/dbraw/zinc/09/06/68/429090668.db2.gz ZXQGOIOHRXUNOD-IAGOWNOFSA-N 2 0 309.498 2.617 20 0 DFADRP C[C@H]([NH2+]C[C@@H]1CCC[C@H]([NH3+])C1)c1ccc(OCC[NH+](C)C)cc1 ZINC000423453225 429090686 /nfs/dbraw/zinc/09/06/86/429090686.db2.gz AKAOSQIQWTZKMK-JZXOWHBKSA-N 2 0 319.493 2.795 20 0 DFADRP C[C@H]([NH2+]C[C@H]1CCC[C@@H]([NH3+])C1)c1cccc(OCC[NH+](C)C)c1 ZINC000423455601 429091229 /nfs/dbraw/zinc/09/12/29/429091229.db2.gz FPAKDPLPGZMNNK-XYJFISCASA-N 3 0 319.493 2.795 20 0 DFADRP CCOC(=O)c1oc2c(c1C)[C@@H]([NH2+][C@H](C)CCC[NH3+])CCC2 ZINC000423455271 429091241 /nfs/dbraw/zinc/09/12/41/429091241.db2.gz MHQQUNGHLSJRGU-YPMHNXCESA-N 2 0 308.422 2.859 20 0 DFADRP [NH3+][C@H](CCC(=O)N[C@H]1CC[N@@H+]2CCC[C@H]2C1)CC1CCCCC1 ZINC000424131292 429095927 /nfs/dbraw/zinc/09/59/27/429095927.db2.gz JBSGORHNLDKCCU-SQNIBIBYSA-N 2 0 321.509 2.807 20 0 DFADRP Clc1cc2c(c(Cl)c1)CC[C@H]2NC[C@@H]1C[NH2+]CCCO1 ZINC000423486715 429096042 /nfs/dbraw/zinc/09/60/42/429096042.db2.gz BYLIMUXTMNSHGK-XHDPSFHLSA-N 2 0 315.244 2.949 20 0 DFADRP C[C@@H](NC[C@@H]1C[NH2+]CCCO1)c1ccc(C(F)(F)F)cc1 ZINC000423485543 429096296 /nfs/dbraw/zinc/09/62/96/429096296.db2.gz AVMQIBIWRANDPE-RISCZKNCSA-N 2 0 302.340 2.735 20 0 DFADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+][C@@H](C)c2ccncc2Cl)CC1 ZINC000421826667 429036262 /nfs/dbraw/zinc/03/62/62/429036262.db2.gz UGBDUGKFJSGXEG-GJZGRUSLSA-N 2 0 324.900 2.659 20 0 DFADRP COC1([C@H](C)[NH2+]C2CC[NH+](C[C@@H]3CCOC3)CC2)CCCCC1 ZINC000421829839 429037058 /nfs/dbraw/zinc/03/70/58/429037058.db2.gz JADDEDBZXHWRGM-IRXDYDNUSA-N 2 0 324.509 2.815 20 0 DFADRP C[C@@H]([NH2+]CC1CC[NH+](CCN(C)C)CC1)c1ccncc1Cl ZINC000421825391 429037308 /nfs/dbraw/zinc/03/73/08/429037308.db2.gz NIPPXMOEDMSQJD-CQSZACIVSA-N 2 0 324.900 2.659 20 0 DFADRP C[C@H]([NH2+]CCC[C@@H]1CCC[NH2+]1)c1cccc(OCC[NH+](C)C)c1 ZINC000423485362 429096496 /nfs/dbraw/zinc/09/64/96/429096496.db2.gz RMMSDLVIEDKSLF-FUHWJXTLSA-N 2 0 319.493 2.810 20 0 DFADRP COC[C@H]1CCCC[N@@H+]1C/C=C/C[NH+]1CCCC[C@H]1COC ZINC000452043295 429042990 /nfs/dbraw/zinc/04/29/90/429042990.db2.gz VFDNMLLJHVKAOM-BNPWSIICSA-N 2 0 310.482 2.544 20 0 DFADRP Cn1ccnc1[C@@H]([NH2+]CCC[C@@H]1CCC[NH2+]1)c1cccc(F)c1 ZINC000423481277 429096643 /nfs/dbraw/zinc/09/66/43/429096643.db2.gz NYRFBEPOHHDXRA-IRXDYDNUSA-N 2 0 316.424 2.770 20 0 DFADRP COc1ccc([C@H](C)[C@H](C)[NH2+][C@H]2CCC[C@@H]2C[NH3+])cc1OC ZINC000423278312 429055811 /nfs/dbraw/zinc/05/58/11/429055811.db2.gz QPFVKWYJZFQENV-CLWVCHIJSA-N 2 0 306.450 2.913 20 0 DFADRP C[NH2+]C[C@H](C)C[NH2+][C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000423275521 429056492 /nfs/dbraw/zinc/05/64/92/429056492.db2.gz NFPDLWNCQAKANW-FRYIKTPZSA-N 3 0 315.505 2.732 20 0 DFADRP CCc1ccccc1[C@H]([NH3+])CNC(=O)c1ccc([C@@H](C)[NH3+])cc1 ZINC000423935826 429059919 /nfs/dbraw/zinc/05/99/19/429059919.db2.gz BLXRTXDKWSJMRU-FZKQIMNGSA-N 2 0 311.429 2.699 20 0 DFADRP C[C@H]([NH3+])c1ccc(C(=O)NC[C@H](c2ccccc2)[NH+](C)C)cc1 ZINC000423305012 429060595 /nfs/dbraw/zinc/06/05/95/429060595.db2.gz ZYCIFNDUVJUHET-KBXCAEBGSA-N 2 0 311.429 2.739 20 0 DFADRP C[C@@H]([NH3+])c1ccc(C(=O)NC[C@@H](c2ccccc2)[NH+](C)C)cc1 ZINC000423305013 429061440 /nfs/dbraw/zinc/06/14/40/429061440.db2.gz ZYCIFNDUVJUHET-KDOFPFPSSA-N 2 0 311.429 2.739 20 0 DFADRP C[C@@H]1CCCC[N@@H+]1CCNC(=O)C(C)(C)[C@H]([NH3+])c1ccccc1 ZINC000423318587 429061717 /nfs/dbraw/zinc/06/17/17/429061717.db2.gz CNUQTLQNVXWLAG-NVXWUHKLSA-N 2 0 317.477 2.703 20 0 DFADRP [NH3+]C1C[C@H]2CCC[C@@H](C1)C2[NH2+][C@@H]1CCO[C@H](C(F)(F)F)C1 ZINC000423319506 429061815 /nfs/dbraw/zinc/06/18/15/429061815.db2.gz ZZJFGSCSDSKWFO-SIGQOLJVSA-N 2 0 306.372 2.592 20 0 DFADRP CCC[NH2+]CCN[C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000423319330 429063911 /nfs/dbraw/zinc/06/39/11/429063911.db2.gz ZWAMQDANVNDTCM-VAMGGRTRSA-N 2 0 315.505 2.876 20 0 DFADRP C[C@H]1CCCC[N@@H+]1CCCCNC(=O)[C@H]1[NH2+]CCCC1(C)C ZINC000423321051 429063949 /nfs/dbraw/zinc/06/39/49/429063949.db2.gz FXMSKWXDGPDQMQ-JKSUJKDBSA-N 2 0 309.498 2.535 20 0 DFADRP [NH3+]CCCC[NH2+][C@H]1CCc2c1cc(Br)cc2F ZINC000423322259 429063971 /nfs/dbraw/zinc/06/39/71/429063971.db2.gz GIHVZYVDWRYLQH-ZDUSSCGKSA-N 2 0 301.203 2.904 20 0 DFADRP Cc1c([C@H](C)[NH2+]CC2=CC[NH2+]CC2)cnn1-c1ccc(F)cc1 ZINC000423330570 429064791 /nfs/dbraw/zinc/06/47/91/429064791.db2.gz CDJXGACWPZVUQF-ZDUSSCGKSA-N 2 0 314.408 2.890 20 0 DFADRP C[C@H]1CCC[N@H+](CCCCNC(=O)[C@H]([NH3+])CC2CCCCC2)C1 ZINC000423323518 429065837 /nfs/dbraw/zinc/06/58/37/429065837.db2.gz HZMRQHGFJTWWEU-FUHWJXTLSA-N 2 0 323.525 2.912 20 0 DFADRP c1ccc(C[N@H+]2[C@@H]3CC[C@H]2CC([NH2+]CC2=CC[NH2+]CC2)C3)cc1 ZINC000423334743 429066914 /nfs/dbraw/zinc/06/69/14/429066914.db2.gz FXPWPQZKCKQRGX-IHWFROFDSA-N 3 0 311.473 2.691 20 0 DFADRP Cc1c([C@@H](C)[NH2+]CCCC[NH3+])nnn1-c1ccc(Cl)cc1 ZINC000423337474 429067205 /nfs/dbraw/zinc/06/72/05/429067205.db2.gz RAPPQNKOMKIXOH-LLVKDONJSA-N 2 0 307.829 2.619 20 0 DFADRP C[C@H]1CCC[N@H+](Cc2ccc(NC(=O)[C@H]([NH3+])C3CCC3)cc2)C1 ZINC000423341354 429067700 /nfs/dbraw/zinc/06/77/00/429067700.db2.gz UFSFLZBROHOUDQ-KBXCAEBGSA-N 2 0 315.461 2.984 20 0 DFADRP CCC[NH+]1CCC(CNC(=O)[C@@H]([NH3+])CC2CCCCC2)CC1 ZINC000423343413 429069533 /nfs/dbraw/zinc/06/95/33/429069533.db2.gz DLLRKLLTTCKJHK-KRWDZBQOSA-N 2 0 309.498 2.522 20 0 DFADRP [NH3+][C@H](CCC(=O)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)CC1CCCCC1 ZINC000424131290 429097141 /nfs/dbraw/zinc/09/71/41/429097141.db2.gz JBSGORHNLDKCCU-KZNAEPCWSA-N 2 0 321.509 2.807 20 0 DFADRP COC(=O)CCC[C@@H]1CCC[C@@H]([NH2+]C[C@]2(C)CCC[NH2+]C2)C1 ZINC000423347508 429070036 /nfs/dbraw/zinc/07/00/36/429070036.db2.gz RLPZTYRQRQJSOX-LZLYRXPVSA-N 2 0 310.482 2.868 20 0 DFADRP C[C@H](Cc1ccc(F)cc1Br)[NH2+]C[C@@H]1CC[NH2+]C1 ZINC000423345619 429070272 /nfs/dbraw/zinc/07/02/72/429070272.db2.gz PHAZWQZSUBVJMT-GHMZBOCLSA-N 2 0 315.230 2.718 20 0 DFADRP COc1cccc(C[C@H]([NH2+]C[C@@]2(C)CCC[NH2+]C2)C2CC2)c1 ZINC000423347489 429070397 /nfs/dbraw/zinc/07/03/97/429070397.db2.gz RJWIJLFKGLERKV-OALUTQOASA-N 2 0 302.462 2.996 20 0 DFADRP C[C@H]1[C@H](NCC[C@H]2CCC[NH2+]2)CCC[N@@H+]1Cc1ccccc1 ZINC000423355331 429071169 /nfs/dbraw/zinc/07/11/69/429071169.db2.gz IAZLEAXBXYLEQV-QXAKKESOSA-N 2 0 301.478 2.771 20 0 DFADRP [NH3+][C@@H]1CCC[C@@H]([NH2+]C2CCN(c3ccc(F)cc3F)CC2)C1 ZINC000423365994 429074357 /nfs/dbraw/zinc/07/43/57/429074357.db2.gz BIXWRAJJDZPFHQ-UKRRQHHQSA-N 2 0 309.404 2.793 20 0 DFADRP C[C@@H]1[C@H]([NH2+][C@H]2CCC[C@H]([NH3+])C2)CCCN1Cc1ccccc1 ZINC000423368541 429074873 /nfs/dbraw/zinc/07/48/73/429074873.db2.gz NIBWHGUEKWVCNU-XGXHKWSGSA-N 2 0 301.478 2.899 20 0 DFADRP CC(C)[N@H+](C)Cc1cccc(CNC(=O)[C@H]2CCC[NH2+][C@@H]2C)c1 ZINC000423378796 429076808 /nfs/dbraw/zinc/07/68/08/429076808.db2.gz ZYDHWFWHNWJXDT-QAPCUYQASA-N 2 0 317.477 2.531 20 0 DFADRP CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@@H]2CC[NH2+][C@H](C)C2)c2ccccc21 ZINC000423391987 429078673 /nfs/dbraw/zinc/07/86/73/429078673.db2.gz XGBNAOGMIXEFOT-DTDBQYNISA-N 2 0 316.445 2.898 20 0 DFADRP CC[NH2+][C@H](C)CN[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000423393098 429079139 /nfs/dbraw/zinc/07/91/39/429079139.db2.gz YIUUJKIAKBFOKR-OWYHZJEWSA-N 2 0 301.478 2.770 20 0 DFADRP COCC1(C[NH2+][C@@H](c2ncc[nH]2)C2CCCCC2)CC[NH2+]CC1 ZINC000423396888 429079787 /nfs/dbraw/zinc/07/97/87/429079787.db2.gz BQNCKZINBAKKCH-MRXNPFEDSA-N 2 0 320.481 2.637 20 0 DFADRP CC[C@@H]([NH2+]C[C@@H](N1CC[NH2+]CC1)C(F)(F)F)c1ccccc1 ZINC000423395406 429079811 /nfs/dbraw/zinc/07/98/11/429079811.db2.gz SNQWKDLQKOKECW-HUUCEWRRSA-N 2 0 315.383 2.563 20 0 DFADRP Cc1cc(N)cc(C[NH2+]C2CCN(Cc3ccccn3)CC2)c1 ZINC000423485801 429097473 /nfs/dbraw/zinc/09/74/73/429097473.db2.gz VSHQOOJFJOECBO-UHFFFAOYSA-N 2 0 310.445 2.726 20 0 DFADRP C[C@H]([NH2+]C[C@@H]1C[NH2+]C[C@H]1O)c1ccc(-c2cccs2)cc1 ZINC000423409452 429083276 /nfs/dbraw/zinc/08/32/76/429083276.db2.gz QDELXXWQCLAZPG-VBNZEHGJSA-N 2 0 302.443 2.646 20 0 DFADRP COC[C@@]1(C[NH2+][C@@H](Cc2ccc(F)cc2)C(C)C)CCC[NH2+]1 ZINC000423411387 429083375 /nfs/dbraw/zinc/08/33/75/429083375.db2.gz FRHQCNNGYFCNLP-ROUUACIJSA-N 2 0 308.441 2.751 20 0 DFADRP CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)[C@H](C(C)C)[C@@H](C)[NH3+])C1 ZINC000423409948 429083416 /nfs/dbraw/zinc/08/34/16/429083416.db2.gz RCJAXISKTFOGNM-BZUAXINKSA-N 2 0 311.514 2.623 20 0 DFADRP COCC1(C[NH2+][C@@H]2CCCc3ccc(F)cc32)CC[NH2+]CC1 ZINC000423409364 429083473 /nfs/dbraw/zinc/08/34/73/429083473.db2.gz PTXIIDGBSQKHAL-QGZVFWFLSA-N 2 0 306.425 2.809 20 0 DFADRP COCC1(C[NH2+][C@@H](C)c2ccc(OC)cc2C)CC[NH2+]CC1 ZINC000423410150 429083491 /nfs/dbraw/zinc/08/34/91/429083491.db2.gz RIFNDRYECDZOBW-HNNXBMFYSA-N 2 0 306.450 2.670 20 0 DFADRP COC[C@@]1(C[NH2+][C@H](Cc2ccc(C)cc2)C2CC2)CCC[NH2+]1 ZINC000423412795 429084008 /nfs/dbraw/zinc/08/40/08/429084008.db2.gz IOZPIAUUXGIAHA-MOPGFXCFSA-N 2 0 302.462 2.674 20 0 DFADRP COc1ccc([C@@H](C)[NH2+][C@H](C)CCCC[NH3+])cc1NC(C)=O ZINC000423426736 429085870 /nfs/dbraw/zinc/08/58/70/429085870.db2.gz HXSHZFWDLCKDAZ-CHWSQXEVSA-N 2 0 307.438 2.822 20 0 DFADRP c1ccc2c(c1)CC[NH2+][C@@H]2CN[C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1 ZINC000423421138 429085917 /nfs/dbraw/zinc/08/59/17/429085917.db2.gz JVBYOTVKHHWWJE-MTQWCTHYSA-N 2 0 313.489 2.774 20 0 DFADRP C[C@@H]([NH3+])c1ccc(C(=O)N(C)CC[C@H]2CCCC[N@@H+]2C)cc1 ZINC000423434307 429086801 /nfs/dbraw/zinc/08/68/01/429086801.db2.gz KLWWTDFNAJRRLN-RHSMWYFYSA-N 2 0 303.450 2.653 20 0 DFADRP C[C@@H]([NH3+])c1ccc(C(=O)N(C)CC[C@@H]2CCCC[N@@H+]2C)cc1 ZINC000423434306 429087326 /nfs/dbraw/zinc/08/73/26/429087326.db2.gz KLWWTDFNAJRRLN-PBHICJAKSA-N 2 0 303.450 2.653 20 0 DFADRP COc1cc(NC(C)=O)ccc1[C@@H](C)[NH2+][C@@H](C)CCCC[NH3+] ZINC000423427216 429087360 /nfs/dbraw/zinc/08/73/60/429087360.db2.gz IIXFEDSVHJGCJX-QWHCGFSZSA-N 2 0 307.438 2.822 20 0 DFADRP CCN(CC(=O)N1CCC[C@@H]2CCCC[C@@H]21)[C@H]1CCC[NH2+]CC1 ZINC000435611924 429152209 /nfs/dbraw/zinc/15/22/09/429152209.db2.gz DDDGXNAPAAUNTB-BZSNNMDCSA-N 2 0 321.509 2.632 20 0 DFADRP CCN(Cc1nc(-c2ccsc2)no1)[C@@H]1CCC[NH2+]CC1 ZINC000435612129 429153571 /nfs/dbraw/zinc/15/35/71/429153571.db2.gz DVCVDVAXFDWTGW-CYBMUJFWSA-N 2 0 306.435 2.762 20 0 DFADRP CCOc1ccccc1OCC[N@H+](CC)[C@@H]1CCC[NH2+]CC1 ZINC000435625649 429155136 /nfs/dbraw/zinc/15/51/36/429155136.db2.gz IIHGRCUZFVTQFA-MRXNPFEDSA-N 2 0 306.450 2.928 20 0 DFADRP C[C@H]([NH2+][C@@H]1CC[C@H](C[NH3+])C1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000423495519 429098343 /nfs/dbraw/zinc/09/83/43/429098343.db2.gz UNDZUDJVINYUCI-GDZNZVCISA-N 2 0 316.449 2.749 20 0 DFADRP c1ccc(C[N@@H+](CCc2cccnc2)[C@@H]2CCC[NH2+]CC2)nc1 ZINC000435628325 429156250 /nfs/dbraw/zinc/15/62/50/429156250.db2.gz QJHIYQMWEYXVHQ-LJQANCHMSA-N 2 0 310.445 2.663 20 0 DFADRP C[C@H]([NH2+]C[C@@H]1C[NH2+]CCCO1)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000423493962 429098610 /nfs/dbraw/zinc/09/86/10/429098610.db2.gz RLMUTWHGUOZGFX-ZDEQEGDKSA-N 2 0 314.882 2.862 20 0 DFADRP [NH3+][C@@H](CCC(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1)CC1CCCCC1 ZINC000424139830 429098797 /nfs/dbraw/zinc/09/87/97/429098797.db2.gz VQGLUQASPVCKSS-IRXDYDNUSA-N 2 0 321.509 2.665 20 0 DFADRP C[C@@H](Cc1ccccc1C(F)(F)F)[NH2+]C[C@H]1C[NH2+]CCCO1 ZINC000423494668 429098879 /nfs/dbraw/zinc/09/88/79/429098879.db2.gz SOHIRFLAMVHJCB-GXTWGEPZSA-N 2 0 316.367 2.605 20 0 DFADRP FC1(F)Oc2ccc(C[NH2+]C[C@H]3CC[N@@H+](C4CC4)C3)cc2O1 ZINC000424139456 429098933 /nfs/dbraw/zinc/09/89/33/429098933.db2.gz VHXARTNAMDDCFL-GFCCVEGCSA-N 2 0 310.344 2.582 20 0 DFADRP C[C@H]([NH2+][C@H]1CC[C@@H](C[NH3+])C1)c1ccc(-n2cncn2)cc1Cl ZINC000423492426 429099198 /nfs/dbraw/zinc/09/91/98/429099198.db2.gz MZXCNNXTSRUQIC-XQQFMLRXSA-N 2 0 319.840 2.699 20 0 DFADRP CC(C)C[C@@H](C[NH+]1CCCC1)NC(=O)C1CC[NH+](C(C)C)CC1 ZINC000452347297 429099194 /nfs/dbraw/zinc/09/91/94/429099194.db2.gz ZJJCZLKMCYOLQO-SFHVURJKSA-N 2 0 323.525 2.734 20 0 DFADRP CCc1ccccc1[C@H](N)C[NH2+][C@H](C)c1ccc(C[NH3+])nc1C ZINC000423501709 429100448 /nfs/dbraw/zinc/10/04/48/429100448.db2.gz LMYUXNQIYHOFTK-BFUOFWGJSA-N 2 0 312.461 2.762 20 0 DFADRP C[NH+](C)CC(C)(C)C[NH2+]C1CCC(O)(c2ccccc2)CC1 ZINC000376372574 429101436 /nfs/dbraw/zinc/10/14/36/429101436.db2.gz WXKGXOULHZNRTB-UHFFFAOYSA-N 2 0 304.478 2.994 20 0 DFADRP c1ccc2c(c1)CCC[C@H]2[NH2+]C1CCC([NH+]2CCNCC2)CC1 ZINC000423508591 429103012 /nfs/dbraw/zinc/10/30/12/429103012.db2.gz KWWKRBYTFFGKFU-AFMYVXGZSA-N 2 0 313.489 2.870 20 0 DFADRP CCC[N@H+](CC)Cc1ccc(C(=O)N2CC[NH2+][C@H](C)[C@@H]2C)cc1 ZINC000434671486 429104015 /nfs/dbraw/zinc/10/40/15/429104015.db2.gz UWMMNSWYRRYAKT-CVEARBPZSA-N 2 0 317.477 2.741 20 0 DFADRP COC(=O)CCC[C@H]1CCC[C@H]([N@@H+]2C[C@@H](C)[C@](C)(C[NH3+])C2)C1 ZINC000423517345 429105775 /nfs/dbraw/zinc/10/57/75/429105775.db2.gz XZIUOFBEKGCUGO-XLMAVXFVSA-N 2 0 310.482 2.805 20 0 DFADRP COc1ccsc1[C@H](C)[NH2+]C1CCC(N2CC[NH2+]CC2)CC1 ZINC000423524233 429108672 /nfs/dbraw/zinc/10/86/72/429108672.db2.gz WWAKXTNQALZPKM-NFOMZHRRSA-N 2 0 323.506 2.624 20 0 DFADRP CN(C[C@H]1CCn2ccnc2C1)c1cc(C(F)(F)F)ccn1 ZINC000376468429 429117473 /nfs/dbraw/zinc/11/74/73/429117473.db2.gz UVJZZFTUISZPPI-NSHDSACASA-N 2 0 310.323 2.996 20 0 DFADRP COC(=O)CC1CC([NH2+][C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)C1 ZINC000424277588 429118133 /nfs/dbraw/zinc/11/81/33/429118133.db2.gz HATDXZAHLKMOSY-YHNBSYBMSA-N 2 0 308.466 2.571 20 0 DFADRP Cc1ccc(C[NH+]2CCC(n3ncc4c3C[NH2+]C4)CC2)cc1C ZINC000424286648 429119178 /nfs/dbraw/zinc/11/91/78/429119178.db2.gz HPMPCOGHQICFCM-UHFFFAOYSA-N 2 0 310.445 2.940 20 0 DFADRP C[N@@H+]1CCN(C[C@@H](C[NH3+])c2ccc(F)cc2)C2(CCCCC2)C1 ZINC000424279058 429119684 /nfs/dbraw/zinc/11/96/84/429119684.db2.gz FHZXRVMYGGMJRI-QGZVFWFLSA-N 2 0 319.468 2.818 20 0 DFADRP [NH3+]CCCN(C[C@H](C[NH3+])c1ccc(F)cc1)CC1CCCC1 ZINC000424283928 429119970 /nfs/dbraw/zinc/11/99/70/429119970.db2.gz NPDZCSSKVCBFQR-KRWDZBQOSA-N 2 0 307.457 2.709 20 0 DFADRP C[N@@H+]1CCN(C[C@H](C[NH3+])c2ccc(F)cc2)C2(CCCCC2)C1 ZINC000424279057 429120238 /nfs/dbraw/zinc/12/02/38/429120238.db2.gz FHZXRVMYGGMJRI-KRWDZBQOSA-N 2 0 319.468 2.818 20 0 DFADRP CCc1ccccc1NC(=O)C[N@@H+]1CC2(C[C@@H]1C)CC[NH2+]CC2 ZINC000424288586 429121816 /nfs/dbraw/zinc/12/18/16/429121816.db2.gz KSJYTGQKPNMFSA-HNNXBMFYSA-N 2 0 315.461 2.652 20 0 DFADRP CCc1ccccc1C[NH+]1CCC(n2ncc3c2C[NH2+]C3)CC1 ZINC000424296742 429121852 /nfs/dbraw/zinc/12/18/52/429121852.db2.gz SGPZQGIWYQBCNN-UHFFFAOYSA-N 2 0 310.445 2.886 20 0 DFADRP C[C@@H]1CC2(C[N@@H+]1Cc1cnn(-c3ccccc3)c1)CC[NH2+]CC2 ZINC000424301085 429122353 /nfs/dbraw/zinc/12/23/53/429122353.db2.gz WYQHFCZQIIBYBX-MRXNPFEDSA-N 2 0 310.445 2.836 20 0 DFADRP C[C@@H](N[C@H]1CCc2nccn2C1)c1nc(Cc2ccccc2)no1 ZINC000376493265 429122502 /nfs/dbraw/zinc/12/25/02/429122502.db2.gz VLDAODDREHBZQY-HIFRSBDPSA-N 2 0 323.400 2.523 20 0 DFADRP [NH3+][C@@H]1CCCC[C@H]1[NH2+]CCOc1cccc(Br)c1 ZINC000424299892 429123115 /nfs/dbraw/zinc/12/31/15/429123115.db2.gz WDFNMRVMZYKTRE-ZIAGYGMSSA-N 2 0 313.239 2.687 20 0 DFADRP [NH3+]C[C@H](CN1CCC[C@@H]1C[NH+]1CCCCC1)c1ccc(F)cc1 ZINC000424301923 429123162 /nfs/dbraw/zinc/12/31/62/429123162.db2.gz LKQPLAPVXRIWPH-IEBWSBKVSA-N 2 0 319.468 2.818 20 0 DFADRP CCCCN(CCCC)C(=O)C[N@@H+]1CC2(C[C@H]1C)CC[NH2+]CC2 ZINC000424300563 429123437 /nfs/dbraw/zinc/12/34/37/429123437.db2.gz WSXGMSYABDJARH-QGZVFWFLSA-N 2 0 323.525 2.879 20 0 DFADRP COC(=O)CC1CC([NH2+]CC[C@@H](C)[N@H+](C)Cc2ccccc2)C1 ZINC000424321043 429127009 /nfs/dbraw/zinc/12/70/09/429127009.db2.gz UFDSXXBQLINCDP-FAEJEUNOSA-N 2 0 318.461 2.828 20 0 DFADRP C[C@H]1C[C@H](N[C@@H]2CCCC[C@H]2[NH3+])CC[N@@H+]1Cc1ccccc1 ZINC000424367892 429131253 /nfs/dbraw/zinc/13/12/53/429131253.db2.gz OINSZJKNADNPGO-JCHJZTRSSA-N 2 0 301.478 2.899 20 0 DFADRP [NH3+][C@@H]1CCCC[C@H]1NC1CC[NH+](CCc2ccccc2)CC1 ZINC000424373046 429132313 /nfs/dbraw/zinc/13/23/13/429132313.db2.gz XHGMWBKIZQFSPN-RTBURBONSA-N 2 0 301.478 2.553 20 0 DFADRP CC[N@H+](Cc1cnc2c(cnn2C(C)C)c1)[C@H]1CCC[NH2+]CC1 ZINC000435370175 429133271 /nfs/dbraw/zinc/13/32/71/429133271.db2.gz HMBBYVFIOHYYBZ-KRWDZBQOSA-N 2 0 315.465 2.976 20 0 DFADRP COc1cc(C)c(C[N@@H+]2CC3(C[C@@H]2C)CC[NH2+]CC3)cc1OC ZINC000424387577 429133665 /nfs/dbraw/zinc/13/36/65/429133665.db2.gz YMOXUYHFPAINNK-HNNXBMFYSA-N 2 0 318.461 2.976 20 0 DFADRP C[C@@H]1CCCC[C@@H]1C[NH+]1CCC(n2ncc3c2C[NH2+]C3)CC1 ZINC000424380141 429133845 /nfs/dbraw/zinc/13/38/45/429133845.db2.gz PMPHZUKAMKGJKA-HUUCEWRRSA-N 2 0 302.466 2.950 20 0 DFADRP COc1cc2[nH+]ccc(N[C@@H](C)[C@H](C)[NH3+])c2cc1Br ZINC000424415023 429137935 /nfs/dbraw/zinc/13/79/35/429137935.db2.gz RUKGIJYVKGWTNN-IUCAKERBSA-N 2 0 324.222 2.575 20 0 DFADRP CCC[NH+]1CCC(CNC(=O)Nc2cc(C)cc(C[NH3+])c2)CC1 ZINC000424433086 429141342 /nfs/dbraw/zinc/14/13/42/429141342.db2.gz ICMFEXXDCVNAAV-UHFFFAOYSA-N 2 0 318.465 2.697 20 0 DFADRP Cn1ccnc1C[N@H+](CCC1CCCC1)[C@@H]1CC12CC[NH2+]CC2 ZINC000435699228 429160021 /nfs/dbraw/zinc/16/00/21/429160021.db2.gz YWGXNYBYWRJKHF-QGZVFWFLSA-N 2 0 316.493 2.945 20 0 DFADRP CC[NH+](CC)Cc1ccc(C[NH2+][C@@H]2CCC(=O)NC2(C)C)cc1 ZINC000494878798 429160968 /nfs/dbraw/zinc/16/09/68/429160968.db2.gz PNMXZKZEXYMERM-QGZVFWFLSA-N 2 0 317.477 2.675 20 0 DFADRP C[NH2+]CCC[N@@H+]1CCC[C@H](c2nc(-c3ccc(F)cc3)no2)C1 ZINC000435873439 429169844 /nfs/dbraw/zinc/16/98/44/429169844.db2.gz CTXFZOABVOTYNP-AWEZNQCLSA-N 2 0 318.396 2.665 20 0 DFADRP C[C@@H](Cc1ccccc1)C[NH+]1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000364330100 429183555 /nfs/dbraw/zinc/18/35/55/429183555.db2.gz UFQMNXWGJFTQKN-ICSRJNTNSA-N 2 0 315.505 2.577 20 0 DFADRP CC[C@H](c1ccccc1F)[N@@H+]1CC[C@@H](CN2CCOCC2)C1 ZINC000364373352 429192738 /nfs/dbraw/zinc/19/27/38/429192738.db2.gz JBKKMWSQLALSIS-MAUKXSAKSA-N 2 0 306.425 2.931 20 0 DFADRP C(C1CC[NH+](CC2CCC3(CC2)OCCO3)CC1)[NH+]1CCCC1 ZINC000190189587 275390149 /nfs/dbraw/zinc/39/01/49/275390149.db2.gz IOMZZORTZXQINO-UHFFFAOYSA-N 2 0 322.493 2.728 20 0 DFADRP [NH3+]C1CCC([NH2+]Cc2ccc(OCC(F)(F)F)cc2)CC1 ZINC000437770056 429208729 /nfs/dbraw/zinc/20/87/29/429208729.db2.gz GGNKTPBJAXHDBQ-UHFFFAOYSA-N 2 0 302.340 2.987 20 0 DFADRP CC[NH+](CC)CCNC(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C ZINC000455893066 429222885 /nfs/dbraw/zinc/22/28/85/429222885.db2.gz CHYXVRVGJNXNMX-QGZVFWFLSA-N 2 0 318.465 2.699 20 0 DFADRP C[C@H]1C[C@H](C[NH3+])C[N@@H+]1CCc1nc(-c2cccc(Cl)c2)no1 ZINC000442767325 429234372 /nfs/dbraw/zinc/23/43/72/429234372.db2.gz YJTNDEOVZWVLPP-NWDGAFQWSA-N 2 0 320.824 2.602 20 0 DFADRP c1cc2c(cc1C[NH2+]C[C@H]1CC[N@@H+](C3CC3)C1)OCCCCO2 ZINC000449073511 429324741 /nfs/dbraw/zinc/32/47/41/429324741.db2.gz IVPCRGJKGCMGQZ-MRXNPFEDSA-N 2 0 316.445 2.812 20 0 DFADRP CC[NH2+]Cc1cccc(NC(=O)[C@]2(c3ccccc3)CC[NH2+]C2)c1 ZINC000449075977 429325494 /nfs/dbraw/zinc/32/54/94/429325494.db2.gz GAHVVUVICOVJSB-HXUWFJFHSA-N 2 0 323.440 2.666 20 0 DFADRP C[NH2+][C@H](CC(C)(C)C)C(=O)NCCCC[N@@H+]1CCC[C@@H](C)C1 ZINC000449085162 429327536 /nfs/dbraw/zinc/32/75/36/429327536.db2.gz KUWRCZVZSFDTKE-HZPDHXFCSA-N 2 0 311.514 2.639 20 0 DFADRP CCC[C@@H](C[NH+]1CCN([C@H]2CC[NH2+]C2)CC1)c1ccccc1 ZINC000491132402 429327874 /nfs/dbraw/zinc/32/78/74/429327874.db2.gz IQBMHOPQBXAJOC-OALUTQOASA-N 2 0 301.478 2.550 20 0 DFADRP C[NH+](C)CCOc1cccc(C[NH2+][C@@H]2CCOC3(CCC3)C2)c1 ZINC000449092235 429328461 /nfs/dbraw/zinc/32/84/61/429328461.db2.gz SQLAYZSIHFVQMP-QGZVFWFLSA-N 2 0 318.461 2.818 20 0 DFADRP C[NH2+][C@H](CC(C)(C)C)C(=O)NCCCC[N@@H+]1CCCC[C@H]1C ZINC000449087869 429328985 /nfs/dbraw/zinc/32/89/85/429328985.db2.gz XFZHDOFUFAWOEY-HZPDHXFCSA-N 2 0 311.514 2.781 20 0 DFADRP COc1cc(F)cc(C[NH2+]CCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000449103654 429332689 /nfs/dbraw/zinc/33/26/89/429332689.db2.gz RLEGTFOLWHBVNX-GASCZTMLSA-N 2 0 324.440 2.813 20 0 DFADRP COCCC[NH+]1CCC([NH2+]C2CCC(CSC)CC2)CC1 ZINC000449110390 429335416 /nfs/dbraw/zinc/33/54/16/429335416.db2.gz CQYZBSYOVLDAQP-UHFFFAOYSA-N 2 0 314.539 2.999 20 0 DFADRP Cc1cccc(N2CCC([NH2+]Cc3ccnn3C(C)C)CC2)n1 ZINC000365558251 429340624 /nfs/dbraw/zinc/34/06/24/429340624.db2.gz CDNRAAOLOIVTQG-UHFFFAOYSA-N 2 0 313.449 2.926 20 0 DFADRP Cc1nc(-c2cccc(NC(=O)CCc3cncn3C)c2)[nH]c1C ZINC000365562926 429342071 /nfs/dbraw/zinc/34/20/71/429342071.db2.gz SDOQMADUOGZRDC-UHFFFAOYSA-N 2 0 323.400 2.998 20 0 DFADRP NC(=O)[C@@H]1CCC[N@H+](CCC[NH2+][C@@H]2CCCC23CCCCC3)C1 ZINC000449137609 429342799 /nfs/dbraw/zinc/34/27/99/429342799.db2.gz YOMPFISXATWKQJ-IAGOWNOFSA-N 2 0 321.509 2.666 20 0 DFADRP C[C@H](N[C@@H]1CCN(C(C)(C)C)C1=O)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000425431044 429295438 /nfs/dbraw/zinc/29/54/38/429295438.db2.gz GYVOCYXGHPLTEX-YQQAZPJKSA-N 2 0 321.509 2.628 20 0 DFADRP CN1C[C@H]([NH2+]C2CC[NH+](C(C)(C)CC(C)(C)C)CC2)CCC1=O ZINC000449159519 429347331 /nfs/dbraw/zinc/34/73/31/429347331.db2.gz GYHUSXRZCUUWPI-MRXNPFEDSA-N 2 0 323.525 2.876 20 0 DFADRP CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)C[C@@H]2CCCC[C@H]2[NH3+])C1 ZINC000449347687 429394378 /nfs/dbraw/zinc/39/43/78/429394378.db2.gz DGQPRBAXRDDTFQ-IXDOHACOSA-N 2 0 323.525 2.911 20 0 DFADRP COc1ccc(CC[NH2+][C@H]2CCC[C@H]([NH3+])C2)c(Cl)c1OC ZINC000517758088 429397196 /nfs/dbraw/zinc/39/71/96/429397196.db2.gz YNMLJKBXYZFYNG-STQMWFEESA-N 2 0 312.841 2.759 20 0 DFADRP CCC[N@@H+]1CCC[C@H]1CNC(=O)Nc1ccc2nc(C)cn2c1 ZINC000518099641 429411079 /nfs/dbraw/zinc/41/10/79/429411079.db2.gz WMFPZMAEKGQUAW-HNNXBMFYSA-N 2 0 315.421 2.639 20 0 DFADRP C[C@@H]([NH2+]CC1=CCOCC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000449405441 429405956 /nfs/dbraw/zinc/40/59/56/429405956.db2.gz YMPRRBMTWLQGCC-VQIMIIECSA-N 2 0 300.446 2.833 20 0 DFADRP CC(C)[N@@H+]1CC[C@H](N(C)C(=O)[C@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC000457118315 429408417 /nfs/dbraw/zinc/40/84/17/429408417.db2.gz MPNWKDUJNCCITD-WMZOPIPTSA-N 2 0 321.509 2.582 20 0 DFADRP C[C@H](CCO)C[NH2+]C1CC[NH+]([C@H](C)Cc2ccccc2)CC1 ZINC000449169694 429348529 /nfs/dbraw/zinc/34/85/29/429348529.db2.gz DPKHTKFOTYPMCW-IAGOWNOFSA-N 2 0 304.478 2.690 20 0 DFADRP COCC1CCC([NH2+]C2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)CC1 ZINC000449181543 429350818 /nfs/dbraw/zinc/35/08/18/429350818.db2.gz ABJAIHZGWOJDNF-LRMJVLKBSA-N 2 0 324.509 2.549 20 0 DFADRP CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)C1(C[NH+](C)C)CCCCC1 ZINC000426708269 429409812 /nfs/dbraw/zinc/40/98/12/429409812.db2.gz IFIJASAESZVKON-SJORKVTESA-N 2 0 321.509 2.584 20 0 DFADRP CC1=C[C@H](C)C[C@H](C[N@@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@H](C)C2)C1 ZINC000365660286 429359532 /nfs/dbraw/zinc/35/95/32/429359532.db2.gz NUIHUUIYQPEIPT-RNQOJCNYSA-N 2 0 319.537 2.937 20 0 DFADRP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+]C[C@H]2CC[C@@H](O)C2)CC1 ZINC000449276674 429374330 /nfs/dbraw/zinc/37/43/30/429374330.db2.gz COYCENYNVQKUJE-IMFGXOCKSA-N 2 0 316.489 2.833 20 0 DFADRP C[C@H](C[NH2+]Cc1ccc(OC[C@@H]2CCCO2)cc1)C[NH+](C)C ZINC000491591754 429377189 /nfs/dbraw/zinc/37/71/89/429377189.db2.gz OABLCYSNWJBRTQ-QAPCUYQASA-N 2 0 306.450 2.532 20 0 DFADRP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+]1CCS[C@H](C)CC1 ZINC000426388979 429388226 /nfs/dbraw/zinc/38/82/26/429388226.db2.gz CACWQTHKEBRKHP-CYBMUJFWSA-N 2 0 302.447 2.903 20 0 DFADRP CC1(C)CCC[N@@H+]1CCNC(=O)[C@@H]1CCCC[NH+]1C1CCCC1 ZINC000457058816 429388781 /nfs/dbraw/zinc/38/87/81/429388781.db2.gz PYOHUOMMXCCTTL-KRWDZBQOSA-N 2 0 321.509 2.774 20 0 DFADRP CC(C)[C@@H](CNC(=O)C[C@H]1CCC[NH2+]CC1)[NH+]1CCC(C)CC1 ZINC000427328985 429443590 /nfs/dbraw/zinc/44/35/90/429443590.db2.gz JDYQJGLQHYLRQT-ZWKOTPCHSA-N 2 0 323.525 2.639 20 0 DFADRP COc1cc(C[NH+]2CCC(N3CCOC[C@H]3C)CC2)ccc1C ZINC000518996123 429444201 /nfs/dbraw/zinc/44/42/01/429444201.db2.gz SWFJBJSASDPJRO-MRXNPFEDSA-N 2 0 318.461 2.689 20 0 DFADRP CCN1CCCC[C@H]1C[NH2+]C1CCC(c2nc(C)no2)CC1 ZINC000366451096 429455050 /nfs/dbraw/zinc/45/50/50/429455050.db2.gz AYGPLCXBPCGDLO-GPANFISMSA-N 2 0 306.454 2.868 20 0 DFADRP COC[C@@H]([NH2+]Cc1ccc(C[NH3+])cc1)c1ccc(F)c(F)c1 ZINC000519401777 429456278 /nfs/dbraw/zinc/45/62/78/429456278.db2.gz FLOSMQUKNZGCGB-QGZVFWFLSA-N 2 0 306.356 2.901 20 0 DFADRP CC(C)[NH2+]CCCN[C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000519537476 429463731 /nfs/dbraw/zinc/46/37/31/429463731.db2.gz FSKUDOMDWHNVNZ-XUVXKRRUSA-N 3 0 315.505 2.875 20 0 DFADRP COc1cc(CN2CC[C@@H]3[NH2+]CC[C@H]3C2)ccc1OC(C)C ZINC000427101636 429431202 /nfs/dbraw/zinc/43/12/02/429431202.db2.gz PVPFEKYUXHPGEA-HOTGVXAUSA-N 2 0 304.434 2.666 20 0 DFADRP CC[N@H+](Cc1ccc(C(=O)N[C@@H]2CC[C@H](C[NH3+])C2)cc1)C1CC1 ZINC000449722336 429488382 /nfs/dbraw/zinc/48/83/82/429488382.db2.gz KPJZHPOGGLTHHZ-DOTOQJQBSA-N 2 0 315.461 2.528 20 0 DFADRP CC[N@H+](Cc1ccc(C(=O)N[C@H]2CC[C@@H](C[NH3+])C2)cc1)C(C)C ZINC000449716842 429488458 /nfs/dbraw/zinc/48/84/58/429488458.db2.gz DBYLGKDBOKTOBH-AEFFLSMTSA-N 2 0 317.477 2.774 20 0 DFADRP CC[N@H+](Cc1ccc(C(=O)N[C@@H]2CC[C@H](C[NH3+])C2)cc1)C(C)C ZINC000449716843 429489029 /nfs/dbraw/zinc/48/90/29/429489029.db2.gz DBYLGKDBOKTOBH-FUHWJXTLSA-N 2 0 317.477 2.774 20 0 DFADRP CC[N@@H+]1CC[C@@H](N(C)C(=O)C2C[NH+](C3CCCCC3)C2)C[C@@H]1C ZINC000457582218 429490645 /nfs/dbraw/zinc/49/06/45/429490645.db2.gz RSMQMMVPGUVFBO-MAUKXSAKSA-N 2 0 321.509 2.582 20 0 DFADRP C[C@@H](c1ccccc1)[C@@H](O)C[NH2+]CC(C)(C)C[NH+]1CCCC1 ZINC000519818346 429491966 /nfs/dbraw/zinc/49/19/66/429491966.db2.gz GXLGGIHKTPDAAQ-WMZOPIPTSA-N 2 0 304.478 2.863 20 0 DFADRP C[C@@H](Cc1ccccc1)[NH+]1CCC([NH2+]C[C@H](O)C2CCC2)CC1 ZINC000449739971 429493005 /nfs/dbraw/zinc/49/30/05/429493005.db2.gz NALKLKRYNFTZPD-JXFKEZNVSA-N 2 0 316.489 2.833 20 0 DFADRP C[C@@H]([NH2+]C[C@@H]1CCC[C@H]1O)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000449737620 429493553 /nfs/dbraw/zinc/49/35/53/429493553.db2.gz SZXHEBRXCKNBGO-QXCFHYIPSA-N 2 0 302.462 2.648 20 0 DFADRP [NH3+][C@H]1CCC[C@H](C[NH2+]Cc2ccc(Cl)cc2-n2cncn2)C1 ZINC000520368433 429511678 /nfs/dbraw/zinc/51/16/78/429511678.db2.gz WLIDPUVELKHXKQ-WFASDCNBSA-N 2 0 319.840 2.528 20 0 DFADRP COc1ccc(C[C@@H](C)[NH2+]Cc2ccc(C[NH3+])cc2)cc1OC ZINC000520406421 429513607 /nfs/dbraw/zinc/51/36/07/429513607.db2.gz FDBIWIBYEIYEPZ-CQSZACIVSA-N 2 0 314.429 2.883 20 0 DFADRP C[C@H](N[C@@H](C[NH+](C)C)c1ccc(Cl)cc1)[C@H]1CCC[NH2+]C1 ZINC000520564869 429519197 /nfs/dbraw/zinc/51/91/97/429519197.db2.gz GNHPWJQWFGCDGJ-QRTARXTBSA-N 2 0 309.885 2.920 20 0 DFADRP [NH3+]CCC1CC[NH+](Cc2ccnn2-c2ccc(F)cc2)CC1 ZINC000520589990 429520658 /nfs/dbraw/zinc/52/06/58/429520658.db2.gz OCRHKAUCHFMGCH-UHFFFAOYSA-N 2 0 302.397 2.572 20 0 DFADRP C[N@@H+]1CCCC[C@H]1CCC(=O)N(CCC[NH3+])CC1CCCC1 ZINC000520579416 429521465 /nfs/dbraw/zinc/52/14/65/429521465.db2.gz UQBINQXFQMXJTR-KRWDZBQOSA-N 2 0 309.498 2.619 20 0 DFADRP CN1CC[NH+]=C1NC[C@@H]1CCC[N@H+](C)[C@@H]1c1cccc(Cl)c1 ZINC000366932234 429543745 /nfs/dbraw/zinc/54/37/45/429543745.db2.gz JXLIYHYETJSBHK-GOEBONIOSA-N 2 0 320.868 2.614 20 0 DFADRP C[N@@H+]1CCCC[C@H]1CN1CC[NH+](C[C@@H]2CCC(F)(F)C2)CC1 ZINC000450392682 429615408 /nfs/dbraw/zinc/61/54/08/429615408.db2.gz OVVXJVQHGYSPAU-CVEARBPZSA-N 2 0 315.452 2.524 20 0 DFADRP C[N@H+](C[C@@H]1CC12CC[NH+](C[C@H](O)c1ccccc1)CC2)C1CC1 ZINC000367308928 429616330 /nfs/dbraw/zinc/61/63/30/429616330.db2.gz GFPZGKUMRMLOGJ-HKUYNNGSSA-N 2 0 314.473 2.916 20 0 DFADRP CC(C)[N@H+](C)CC1CC[NH+](CC(=O)N2[C@H](C)CCC[C@@H]2C)CC1 ZINC000524156123 429621323 /nfs/dbraw/zinc/62/13/23/429621323.db2.gz KYTDKZNUHXXCNA-CALCHBBNSA-N 2 0 323.525 2.828 20 0 DFADRP CC1CCC([NH+]2CCC(N(C)C(=O)[C@H]3CCC[C@H]3[NH3+])CC2)CC1 ZINC000370768140 275929658 /nfs/dbraw/zinc/92/96/58/275929658.db2.gz YPDOZCFEJTUJBQ-DQVOVIAYSA-N 2 0 321.509 2.615 20 0 DFADRP CC[NH+](CC)[C@@H](C(=O)NCC[N@@H+]1CC[C@@H](C)C1)c1ccccc1 ZINC000524720215 429631370 /nfs/dbraw/zinc/63/13/70/429631370.db2.gz CVTZXTHGHTWIFC-SJLPKXTDSA-N 2 0 317.477 2.528 20 0 DFADRP CCN1CC[C@H]2CC[C@@H](C1)[N@@H+]2C[C@@H](O)[C@H](C)c1ccccc1 ZINC000450478494 429637734 /nfs/dbraw/zinc/63/77/34/429637734.db2.gz GUVUXTWSGHRVEG-OQIJWPOYSA-N 2 0 302.462 2.710 20 0 DFADRP CC[N@@H+]1CC[C@H]([NH+](C)C[C@H](O)[C@H](C)c2ccccc2)[C@H](C)C1 ZINC000450561260 429648599 /nfs/dbraw/zinc/64/85/99/429648599.db2.gz GXKOTHYEMZXSQC-FPAYPSAMSA-N 2 0 304.478 2.813 20 0 DFADRP CC[N@H+](C)[C@@H](C(=O)NCC[C@H]1CCC[NH+](C)C1)c1ccccc1 ZINC000458160447 429590264 /nfs/dbraw/zinc/59/02/64/429590264.db2.gz GBELNRQOJJRCSN-SJLPKXTDSA-N 2 0 317.477 2.528 20 0 DFADRP COC(=O)c1oc(C[N@@H+]2CCCC3(CC[NH+](C)CC3)C2)cc1C ZINC000367199210 429595588 /nfs/dbraw/zinc/59/55/88/429595588.db2.gz IWGIUWMJMATYJP-UHFFFAOYSA-N 2 0 320.433 2.682 20 0 DFADRP CCc1cc(NCC2([NH+]3CCC(OC)CC3)CCCC2)cc[nH+]1 ZINC000450325202 429599749 /nfs/dbraw/zinc/59/97/49/429599749.db2.gz SPWJLJICTYGNFR-UHFFFAOYSA-N 2 0 317.477 2.901 20 0 DFADRP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CC[NH+](CC2=CCCCC2)CC1 ZINC000450332738 429600719 /nfs/dbraw/zinc/60/07/19/429600719.db2.gz XTTTXURXGKFTDW-HDICACEKSA-N 2 0 305.510 2.977 20 0 DFADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]C[C@]1(CO)C[C@H]1c1ccc(F)cc1 ZINC000429430558 429607751 /nfs/dbraw/zinc/60/77/51/429607751.db2.gz RYBCDTQAWCKBDL-CUDZTTRCSA-N 2 0 320.452 2.610 20 0 DFADRP OC[C@]1(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)C[C@H]1c1ccc(F)cc1 ZINC000429407613 429608728 /nfs/dbraw/zinc/60/87/28/429608728.db2.gz JXFMRGPSIDMENA-YDZRNGNQSA-N 2 0 318.436 2.508 20 0 DFADRP C[N@H+](CC[C@@H]1CCOC1)[C@H]1CCC[NH+](CC[C@@H]2CCOC2)CC1 ZINC000450613007 429660817 /nfs/dbraw/zinc/66/08/17/429660817.db2.gz LUYKAQDMQAHANE-QRVBRYPASA-N 2 0 324.509 2.626 20 0 DFADRP C[C@H]1C[N@H+](CCC2=CCCCC2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000450646460 429669618 /nfs/dbraw/zinc/66/96/18/429669618.db2.gz MVNPGORROPUJTM-HKUYNNGSSA-N 2 0 305.510 2.835 20 0 DFADRP CC(C)[C@H](C(=O)NCCC[NH+]1CCC(C)CC1)[NH+]1CCCCC1 ZINC000354325202 276012652 /nfs/dbraw/zinc/01/26/52/276012652.db2.gz SXTAAXKATHRBGY-GOSISDBHSA-N 2 0 323.525 2.735 20 0 DFADRP OCCC[N@@H+]1CCC[C@H]1CNc1ccnc2cc(F)ccc21 ZINC000450590386 429653663 /nfs/dbraw/zinc/65/36/63/429653663.db2.gz DPQJSWCPQRUFRN-AWEZNQCLSA-N 2 0 303.381 2.633 20 0 DFADRP CC[NH+](CC)Cc1ccccc1C[NH2+][C@H]1CC[N@H+](C)C[C@H]1C ZINC000359799664 276110846 /nfs/dbraw/zinc/11/08/46/276110846.db2.gz NACFLYWGMPKBOB-APWZRJJASA-N 3 0 303.494 2.958 20 0 DFADRP CCN(CCC[NH+]1CCCC1)C(=O)CC[C@H]1CCCC[N@@H+]1C ZINC000357116436 276122969 /nfs/dbraw/zinc/12/29/69/276122969.db2.gz FURKKFICWXBQPQ-QGZVFWFLSA-N 2 0 309.498 2.585 20 0 DFADRP CC1=CCC[C@H](C)[C@@H]1C[N@@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000364864506 276179778 /nfs/dbraw/zinc/17/97/78/276179778.db2.gz CVOHVJHZDFPRFQ-VNTMZGSJSA-N 2 0 319.537 2.937 20 0 DFADRP CC(=O)Nc1ccc(C[NH2+][C@@H]2CC[N@@H+](C)[C@H]3CCC[C@H]32)cc1 ZINC000367598203 429680144 /nfs/dbraw/zinc/68/01/44/429680144.db2.gz DDKBYJPJJXDZQQ-KSZLIROESA-N 2 0 301.434 2.607 20 0 DFADRP CC[NH+]1CCN([C@@H]2CC[N@H+](C[C@H]3CC(C)=C[C@@H](C)C3)C2)CC1 ZINC000356219309 276198469 /nfs/dbraw/zinc/19/84/69/276198469.db2.gz GTDDIJJXVKDCGU-BHIYHBOVSA-N 2 0 305.510 2.691 20 0 DFADRP CC[N@@H+]1CC[C@H](NC[C@@H]2CC[NH+](C)[C@H]2c2ccccc2)[C@H](C)C1 ZINC000369849760 276229400 /nfs/dbraw/zinc/22/94/00/276229400.db2.gz CZRUFKMMAWWMOC-GTAWCEEGSA-N 2 0 315.505 2.999 20 0 DFADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@H](C[C@@H](C)O)c2ccccc2)[C@@H](C)C1 ZINC000269021726 276229789 /nfs/dbraw/zinc/22/97/89/276229789.db2.gz QDBOIBFUTJFNKQ-NBMJBFSESA-N 2 0 304.478 2.861 20 0 DFADRP CC[N@@H+]1CC[C@H]([NH2+][C@@H]2CCN(c3c(F)cccc3F)C2)[C@H](C)C1 ZINC000167473386 276230515 /nfs/dbraw/zinc/23/05/15/276230515.db2.gz NZDDAHPSMDWEQE-CPUCHLNUSA-N 2 0 323.431 2.863 20 0 DFADRP Cc1c(F)cccc1NC(=O)CC[N@H+]1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000430552745 429690151 /nfs/dbraw/zinc/69/01/51/429690151.db2.gz KOEGACFXGPYZCM-UONOGXRCSA-N 2 0 307.413 2.522 20 0 DFADRP C[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CCN(c3ccccc3)C2)[C@@H]2CCC[C@@H]21 ZINC000367611162 429684583 /nfs/dbraw/zinc/68/45/83/429684583.db2.gz AMJWTZDAZSSYOS-LEAZDLGRSA-N 2 0 313.489 2.975 20 0 DFADRP COc1cccc(O[C@H](C)C[NH2+][C@@H]2CC[N@H+](C)[C@H]3CCC[C@@H]32)c1 ZINC000367606441 429685090 /nfs/dbraw/zinc/68/50/90/429685090.db2.gz KATHSVPRGHYXMV-AXUOBQJMSA-N 2 0 318.461 2.925 20 0 DFADRP C[C@@H]([NH3+])[C@@H]1CCCN(CC(=O)N(C2CC2)C2CCC(C)CC2)C1 ZINC000430548574 429688984 /nfs/dbraw/zinc/68/89/84/429688984.db2.gz MCSRQKFURWWRRW-JCCCHCCOSA-N 2 0 321.509 2.615 20 0 DFADRP Cc1cccc2ncc(C[N@H+](C)C[C@@H]3CCn4ccnc4C3)n21 ZINC000367657788 429693156 /nfs/dbraw/zinc/69/31/56/429693156.db2.gz KMGHOFNGGRKPEL-OAHLLOKOSA-N 2 0 309.417 2.534 20 0 DFADRP CCO[C@@H](CC[NH+](C)C)C[NH2+]Cc1cnc(-c2ccco2)s1 ZINC000193142709 276335406 /nfs/dbraw/zinc/33/54/06/276335406.db2.gz HIYUQCMYPVOHCI-ZDUSSCGKSA-N 2 0 323.462 2.850 20 0 DFADRP CC[N@H+](CCC1CC[NH2+]CC1)CC(=O)Nc1c(C)cccc1C ZINC000359229656 276343031 /nfs/dbraw/zinc/34/30/31/276343031.db2.gz YMWPXXYQPMSSRE-UHFFFAOYSA-N 2 0 317.477 2.954 20 0 DFADRP Cc1[nH+]c2ccccc2c(N2C[C@@H](C)[N@H+](CCO)[C@@H](C)C2)c1C ZINC000450787022 429699810 /nfs/dbraw/zinc/69/98/10/429699810.db2.gz BGSFEZHKDYBNFU-OKILXGFUSA-N 2 0 313.445 2.743 20 0 DFADRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@H]1CCc2c1c(F)ccc2F ZINC000269883839 276357915 /nfs/dbraw/zinc/35/79/15/276357915.db2.gz BEKZNYRYECDVOC-WBMJQRKESA-N 2 0 312.404 2.899 20 0 DFADRP C[C@](C[NH3+])([NH2+]CCOc1ccccc1C(F)(F)F)C1CC1 ZINC000430593176 429698222 /nfs/dbraw/zinc/69/82/22/429698222.db2.gz OFZYSZTXVPSARN-CQSZACIVSA-N 2 0 302.340 2.801 20 0 DFADRP CCc1nn(C)c(CC)c1C[N@@H+]1CC[C@H](C2CC[NH+](C)CC2)C1 ZINC000367689731 429701598 /nfs/dbraw/zinc/70/15/98/429701598.db2.gz RZZAKSGVHQCPEF-INIZCTEOSA-N 2 0 318.509 2.709 20 0 DFADRP Cc1cccc(C(C)C)c1NC(=O)[C@@H](C)N1CCC([NH3+])CC1 ZINC000430630445 429704029 /nfs/dbraw/zinc/70/40/29/429704029.db2.gz YMZIRFPZIANZGE-CQSZACIVSA-N 2 0 303.450 2.869 20 0 DFADRP Cc1ccc(-c2noc([C@@H](C)[NH+]3CCC(C[NH3+])CC3)n2)cc1F ZINC000430645093 429704912 /nfs/dbraw/zinc/70/49/12/429704912.db2.gz NPYDDTVDJCREQI-GFCCVEGCSA-N 2 0 318.396 2.916 20 0 DFADRP CC[NH+](CC)CC1CCN(C(=O)[C@@H]2CCCCCC[C@H]2[NH3+])CC1 ZINC000430673665 429709559 /nfs/dbraw/zinc/70/95/59/429709559.db2.gz FHTHNNQJNQCRIG-QZTJIDSGSA-N 2 0 323.525 2.865 20 0 DFADRP C[C@@H](CC(=O)NCC1([NH+](C)C)CCCCCC1)[C@@H]1CCC[NH2+]C1 ZINC000430840589 429720344 /nfs/dbraw/zinc/72/03/44/429720344.db2.gz YEDNACYSITXFMO-DLBZAZTESA-N 2 0 323.525 2.783 20 0 DFADRP COc1cc2c(c(C[NH+]3CCC4(CC[NH2+]C4)CC3)c1)O[C@@H](C)C2 ZINC000430918540 429722557 /nfs/dbraw/zinc/72/25/57/429722557.db2.gz HTGCYFKQCIGPRS-AWEZNQCLSA-N 2 0 316.445 2.594 20 0 DFADRP C[C@@H]1C[N@H+](Cc2ccc(OCc3cccnc3)cc2)CC[C@@H]1[NH3+] ZINC000430915556 429723458 /nfs/dbraw/zinc/72/34/58/429723458.db2.gz DCGDTPHJWHOAPB-BEFAXECRSA-N 2 0 311.429 2.830 20 0 DFADRP Cc1ccc(C[NH+]2CCC3(CC[NH2+]C3)CC2)c(-c2cnn(C)c2)c1 ZINC000430906753 429723953 /nfs/dbraw/zinc/72/39/53/429723953.db2.gz NYXWNSOPVCGULJ-UHFFFAOYSA-N 2 0 324.472 2.971 20 0 DFADRP Fc1ccccc1-c1n[nH]cc1C[NH+]1CCC2(CC[NH2+]C2)CC1 ZINC000430928274 429724627 /nfs/dbraw/zinc/72/46/27/429724627.db2.gz LAEHCIWSQJRCRI-UHFFFAOYSA-N 2 0 314.408 2.791 20 0 DFADRP c1nc([C@@H]2CCCO2)sc1C[NH+]1CCC2(CC[NH2+]C2)CC1 ZINC000430925969 429725151 /nfs/dbraw/zinc/72/51/51/429725151.db2.gz MQYWLJUMANSQCZ-AWEZNQCLSA-N 2 0 307.463 2.570 20 0 DFADRP C[C@H]1C[N@H+](Cc2ccc(OCc3ccccn3)cc2)CC[C@H]1[NH3+] ZINC000430950794 429727820 /nfs/dbraw/zinc/72/78/20/429727820.db2.gz SMJPDFWVIXHCDX-HNAYVOBHSA-N 2 0 311.429 2.830 20 0 DFADRP Cc1cccc(-c2noc(C[NH+]3CCC([C@H](C)[NH3+])CC3)n2)c1 ZINC000430957566 429728689 /nfs/dbraw/zinc/72/86/89/429728689.db2.gz SSLDPPXRQXRPAO-ZDUSSCGKSA-N 2 0 300.406 2.604 20 0 DFADRP C[C@@H]1C[N@H+](CCOc2ccc(C(F)(F)F)cc2)CC[C@H]1[NH3+] ZINC000430951632 429729956 /nfs/dbraw/zinc/72/99/56/429729956.db2.gz VWZDKVQBYSLZBD-BXUZGUMPSA-N 2 0 302.340 2.753 20 0 DFADRP C[C@H]1CCc2nc(C[NH+]3CCC4(CC[NH2+]C4)CC3)sc2C1 ZINC000430958003 429730239 /nfs/dbraw/zinc/73/02/39/429730239.db2.gz VTAUSNCBMYMWND-ZDUSSCGKSA-N 2 0 305.491 2.843 20 0 DFADRP C[C@H]1[C@@H]([NH+]2CCCC2)CCN1CC[N@H+](C)Cc1ccc(F)cc1 ZINC000367855729 429730435 /nfs/dbraw/zinc/73/04/35/429730435.db2.gz IXEZXFJRHVZALN-LPHOPBHVSA-N 2 0 319.468 2.816 20 0 DFADRP CC(C)[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CCCCCC[C@H]2[NH3+])C1 ZINC000431045774 429737807 /nfs/dbraw/zinc/73/78/07/429737807.db2.gz AIMQHSBZRILMAU-BRWVUGGUSA-N 2 0 309.498 2.521 20 0 DFADRP C[C@@H](c1nc(-c2ccccc2)no1)[NH+]1CCC2(CC[NH2+]C2)CC1 ZINC000431039143 429737851 /nfs/dbraw/zinc/73/78/51/429737851.db2.gz QSEYBAXCLCNYRB-AWEZNQCLSA-N 2 0 312.417 2.873 20 0 DFADRP CC[C@@H]1CCCC[C@H]1[NH2+]Cc1cccnc1N1CC[NH+](C)CC1 ZINC000181743176 276462941 /nfs/dbraw/zinc/46/29/41/276462941.db2.gz BVOQVMYFORIQNI-SJLPKXTDSA-N 2 0 316.493 2.892 20 0 DFADRP C[C@H]1CCC[C@H]([NH2+]C[C@@H]2CCCN(C)[C@H]2c2ccnn2C)C1 ZINC000486954319 429756441 /nfs/dbraw/zinc/75/64/41/429756441.db2.gz JLOLLFMMKPAJOP-NBOOPKSLSA-N 2 0 304.482 2.971 20 0 DFADRP C[C@@H]1C[N@H+](Cc2ccccc2)[C@H](C)CN1C(=O)/C=C/c1ncc[nH]1 ZINC000493672767 429807428 /nfs/dbraw/zinc/80/74/28/429807428.db2.gz IOVNZNLEVUXOAA-GUFYHEMZSA-N 2 0 324.428 2.544 20 0 DFADRP CCOc1cc(C[NH2+]CC2CC[NH+](C)CC2)c(F)cc1OC ZINC000527653098 429773119 /nfs/dbraw/zinc/77/31/19/429773119.db2.gz JMJGQXLQOMQIGF-UHFFFAOYSA-N 2 0 310.413 2.664 20 0 DFADRP Cc1ccc(C[N@@H+](C)[C@@H]2CCN(C3CC[NH+](C)CC3)C2)c(C)c1 ZINC000368050208 429774909 /nfs/dbraw/zinc/77/49/09/429774909.db2.gz DNFBUFYSIALEKM-HXUWFJFHSA-N 2 0 315.505 2.904 20 0 DFADRP C[C@H]1C[C@@H](NCc2ncc(Br)cc2F)CC[N@@H+]1C ZINC000527668956 429776698 /nfs/dbraw/zinc/77/66/98/429776698.db2.gz VIBOCJMEFXOTKJ-ONGXEEELSA-N 2 0 316.218 2.556 20 0 DFADRP C[C@H](C[NH2+]Cc1cn(C)nc1-c1ccc(F)cc1)C[NH+](C)C ZINC000451171347 429779870 /nfs/dbraw/zinc/77/98/70/429779870.db2.gz ISAKERSXAXALKA-CYBMUJFWSA-N 2 0 304.413 2.514 20 0 DFADRP C[C@H]1CCC[N@H+](CCNC(=O)C[C@H](c2ccccc2)[NH+](C)C)C1 ZINC000431748855 429780419 /nfs/dbraw/zinc/78/04/19/429780419.db2.gz JCLJPVOXPJZHNC-FUHWJXTLSA-N 2 0 317.477 2.528 20 0 DFADRP C[C@H](Nc1c[nH+]ccc1N1CC[NH+](C)CC1)[C@@H]1C[C@H]1C1CC1 ZINC000527688268 429780764 /nfs/dbraw/zinc/78/07/64/429780764.db2.gz UJLCMPXHFCDYBM-BPUTZDHNSA-N 2 0 300.450 2.680 20 0 DFADRP C[C@H]([NH2+]Cc1ccccc1C[N@@H+]1CC[C@H](O)C1)[C@@H]1C[C@H]1C1CC1 ZINC000527692316 429780884 /nfs/dbraw/zinc/78/08/84/429780884.db2.gz SBFFKQFNKAFFPU-DSYPUSFNSA-N 2 0 314.473 2.777 20 0 DFADRP C[N@@H+]1CCCC[C@H]1CCC(=O)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000431841386 429785502 /nfs/dbraw/zinc/78/55/02/429785502.db2.gz BWXUDSLUGJDTHX-MSOLQXFVSA-N 2 0 321.509 2.585 20 0 DFADRP CC[C@@]1(C(=O)NC2CC[NH+](CC3CCCCC3)CC2)CCC[NH2+]1 ZINC000368362908 276536097 /nfs/dbraw/zinc/53/60/97/276536097.db2.gz SLXMFZPUDLGMMG-IBGZPJMESA-N 2 0 321.509 2.680 20 0 DFADRP C[C@H]1C[N@H+](CCC[NH2+]C/C=C\c2ccc(F)cc2)CCCO1 ZINC000432357738 429817450 /nfs/dbraw/zinc/81/74/50/429817450.db2.gz NFMBDBBTQQMJHG-ASKPUQFJSA-N 2 0 306.425 2.929 20 0 DFADRP C[N@@H+]1CC[C@H]([NH2+]C[C@]2(C)COc3ccccc3O2)[C@H]2CCC[C@@H]21 ZINC000527935536 429823701 /nfs/dbraw/zinc/82/37/01/429823701.db2.gz ZWIMAWLIZAPSOV-PASDCYSWSA-N 2 0 316.445 2.679 20 0 DFADRP CC1(C[NH+]2CCOCC2)CC[NH+]([C@@H]2C[C@@H]2c2ccccc2)CC1 ZINC000368283920 429824469 /nfs/dbraw/zinc/82/44/69/429824469.db2.gz ZMJFOEYZBNAQRG-RTBURBONSA-N 2 0 314.473 2.977 20 0 DFADRP C[N@@H+]1CC[C@H](NC[C@@H]2CC[NH+]2C2CCCCC2)[C@H]2CCC[C@H]21 ZINC000527952046 429827254 /nfs/dbraw/zinc/82/72/54/429827254.db2.gz SRXFDEVIUNSMJU-ZSYWTGECSA-N 2 0 305.510 2.856 20 0 DFADRP C[C@H](C[C@@H](C)[NH2+][C@@H](C)CC[NH+](C)C)NC(=O)OC(C)(C)C ZINC000494362238 429868904 /nfs/dbraw/zinc/86/89/04/429868904.db2.gz GNBAPWCYRHLRGZ-BFHYXJOUSA-N 2 0 301.475 2.608 20 0 DFADRP OC1CC(C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC000528019953 429836953 /nfs/dbraw/zinc/83/69/53/429836953.db2.gz VWXMAWHMZXCOFX-MHHKEESVSA-N 2 0 300.446 2.543 20 0 DFADRP CC[NH+](CC)CCOC1CC[NH+](CCC2CCOCC2)CC1 ZINC000432822040 429843335 /nfs/dbraw/zinc/84/33/35/429843335.db2.gz DUNPMSSWVSJHIX-UHFFFAOYSA-N 2 0 312.498 2.626 20 0 DFADRP CC[NH+](CC)CCC[NH+]1CCC(Cn2nc(C)cc2C)CC1 ZINC000368460201 429851836 /nfs/dbraw/zinc/85/18/36/429851836.db2.gz AHZJTIFEEVSREO-UHFFFAOYSA-N 2 0 306.498 2.944 20 0 DFADRP Cc1nc2ccc(C[NH2+]CCCC[NH+]3CCOCC3)cc2s1 ZINC000494322144 429867466 /nfs/dbraw/zinc/86/74/66/429867466.db2.gz FBVFVRZQLXSPTC-UHFFFAOYSA-N 2 0 319.474 2.807 20 0 DFADRP C[C@H]([NH2+]Cc1ccccc1C[NH+]1CCC(O)CC1)[C@@H]1CC12CC2 ZINC000527868561 429811942 /nfs/dbraw/zinc/81/19/42/429811942.db2.gz KTWSNRMJAOISQB-KXBFYZLASA-N 2 0 314.473 2.922 20 0 DFADRP CC[C@@]1(C(=O)Nc2ccc(CC[NH+]3CCCC3)cc2)CC[NH2+]C1 ZINC000368566480 429868323 /nfs/dbraw/zinc/86/83/23/429868323.db2.gz KYFRUZWRIRBVTR-LJQANCHMSA-N 2 0 315.461 2.653 20 0 DFADRP Fc1cncc(CNC[C@H]2CC[N@H+](CCc3ccccc3)C2)c1 ZINC000494563689 429880368 /nfs/dbraw/zinc/88/03/68/429880368.db2.gz IKKYAELIKSOYJX-QGZVFWFLSA-N 2 0 313.420 2.875 20 0 DFADRP C/C(Cl)=C/CN1CCN(CC[N@@H+](C)Cc2ccccc2)CC1 ZINC000528383330 429882780 /nfs/dbraw/zinc/88/27/80/429882780.db2.gz SIHFIBNROFYGHO-IUXPMGMMSA-N 2 0 321.896 2.879 20 0 DFADRP CO[C@H](CN1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1)c1ccc(F)cc1 ZINC000528408374 429885952 /nfs/dbraw/zinc/88/59/52/429885952.db2.gz UQACDEIELRBHCE-KBAYOESNSA-N 2 0 306.425 2.929 20 0 DFADRP C(CC[NH+]1CCO[C@@H]2CCC[C@H]21)CC[N@@H+]1CCO[C@@H]2CCC[C@@H]21 ZINC000368736152 429890954 /nfs/dbraw/zinc/89/09/54/429890954.db2.gz NHGVHQXZZAXYKL-FCGDIQPGSA-N 2 0 322.493 2.663 20 0 DFADRP CO[C@H](Cc1ccc(F)cc1)C[N@@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000528512750 429895558 /nfs/dbraw/zinc/89/55/58/429895558.db2.gz NFUQFHJHFJHENZ-MOPGFXCFSA-N 2 0 320.452 2.801 20 0 DFADRP C[C@H](CC(=O)Nc1cccc(F)c1)[NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000556953039 429923895 /nfs/dbraw/zinc/92/38/95/429923895.db2.gz OXWYSMHGHCYDGG-OAUYIBNBSA-N 2 0 319.424 2.521 20 0 DFADRP C[C@H]1CCC[N@H+](Cc2ccc(CNC(=O)CCCC[NH3+])cc2)C1 ZINC000573086656 429924428 /nfs/dbraw/zinc/92/44/28/429924428.db2.gz MWWZGUHPTQAFRY-INIZCTEOSA-N 2 0 317.477 2.664 20 0 DFADRP CC[C@@H](c1ccccc1)[NH+]1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000369352752 429927837 /nfs/dbraw/zinc/92/78/37/429927837.db2.gz AIZMXABJTOSMNO-MOPGFXCFSA-N 2 0 301.478 2.850 20 0 DFADRP CCOCC(C)(C)C[NH2+][C@@H]1CC[N@H+](C[C@H]2CCCO2)C[C@H]1C ZINC000368578433 429870965 /nfs/dbraw/zinc/87/09/65/429870965.db2.gz NAKJDTGBMUCHLP-BRWVUGGUSA-N 2 0 312.498 2.528 20 0 DFADRP Cc1ccc(C[N@@H+]2CCN(C3CC[NH+](C)CC3)[C@H](C)C2)s1 ZINC000368584338 429872125 /nfs/dbraw/zinc/87/21/25/429872125.db2.gz MIWCWGKDQXSFIH-CQSZACIVSA-N 2 0 307.507 2.657 20 0 DFADRP Fc1ccc(Br)cc1C[NH2+][C@H]1CCn2ccnc2C1 ZINC000494446795 429874334 /nfs/dbraw/zinc/87/43/34/429874334.db2.gz WSIXNGOWQLLSNL-LBPRGKRZSA-N 2 0 324.197 2.889 20 0 DFADRP C[N@@H+]1CCC[C@@H]2CN(Cc3ccc(-c4cc[nH]n4)o3)CC[C@@H]21 ZINC000369484476 429954667 /nfs/dbraw/zinc/95/46/67/429954667.db2.gz NAOQWUYHIHUADR-CJNGLKHVSA-N 2 0 300.406 2.586 20 0 DFADRP C[C@@H]1CC[N@H+](Cc2ccc(-c3cc[nH]n3)o2)C[C@H]1n1ccnc1 ZINC000369484531 429955812 /nfs/dbraw/zinc/95/58/12/429955812.db2.gz NIFPGWFLGWYPQE-CZUORRHYSA-N 2 0 311.389 2.949 20 0 DFADRP CCc1noc(-c2ccc(CC[NH2+][C@H]3CCC[C@@H]([NH3+])C3)cc2)n1 ZINC000573505694 429958078 /nfs/dbraw/zinc/95/80/78/429958078.db2.gz LEIXWBREKSFMHN-CVEARBPZSA-N 2 0 314.433 2.701 20 0 DFADRP CC(C)c1n[nH]c(CC2CC[NH+](CC[C@@H]3CCC[N@@H+]3C)CC2)n1 ZINC000639717022 429958232 /nfs/dbraw/zinc/95/82/32/429958232.db2.gz URNKXVDXMLIITO-INIZCTEOSA-N 2 0 319.497 2.667 20 0 DFADRP C[N@@H+]1CCN([C@@H]2CC[NH+](Cc3ccccc3)C2)C[C@@H]1C(C)(C)C ZINC000639748378 429967643 /nfs/dbraw/zinc/96/76/43/429967643.db2.gz ZNGVYLTVVOLSKD-RTBURBONSA-N 2 0 315.505 2.923 20 0 DFADRP C[NH+]1CCC2(CC[N@H+](Cc3cncn3Cc3ccccc3)C2)CC1 ZINC000639755081 429969902 /nfs/dbraw/zinc/96/99/02/429969902.db2.gz FBQWFVAEQCKDNQ-UHFFFAOYSA-N 2 0 324.472 2.849 20 0 DFADRP CC(C)[N@@H+]1CC[C@H](C[NH2+]CCCc2ccc3c(c2)CCO3)C1 ZINC000558419615 429971736 /nfs/dbraw/zinc/97/17/36/429971736.db2.gz SGMLBTWPKHDWGJ-QGZVFWFLSA-N 2 0 302.462 2.874 20 0 DFADRP CCc1ccccc1NC(=O)C[N@@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC000639764705 429972471 /nfs/dbraw/zinc/97/24/71/429972471.db2.gz WPPWIPZWSOZSET-UHFFFAOYSA-N 2 0 315.461 2.605 20 0 DFADRP CSC1(C[NH2+]Cc2cccc(F)c2F)CC[NH+](C)CC1 ZINC000558492608 429974767 /nfs/dbraw/zinc/97/47/67/429974767.db2.gz BPESLIUSFPNPFT-UHFFFAOYSA-N 2 0 300.418 2.882 20 0 DFADRP Fc1ccc(OCC[N@@H+]2CCCN(c3cc[nH+]cc3)CC2)cc1 ZINC000639682580 429944810 /nfs/dbraw/zinc/94/48/10/429944810.db2.gz YWXAZWYASJSPDQ-UHFFFAOYSA-N 2 0 315.392 2.812 20 0 DFADRP Cc1nc(C)c(C[N@@H+]2CCCN(c3cc[nH+]cc3)CC2)s1 ZINC000639683423 429946511 /nfs/dbraw/zinc/94/65/11/429946511.db2.gz YSGSGGUTGKQIET-UHFFFAOYSA-N 2 0 302.447 2.867 20 0 DFADRP COCc1cccc(C[N@@H+]2CCCN(c3cc[nH+]cc3)CC2)c1 ZINC000639703680 429953234 /nfs/dbraw/zinc/95/32/34/429953234.db2.gz KWJPIZKHAAKANY-UHFFFAOYSA-N 2 0 311.429 2.940 20 0 DFADRP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](Cc3cnc(-c4ccccc4)nc3)C[C@H]21 ZINC000574277292 430028519 /nfs/dbraw/zinc/02/85/19/430028519.db2.gz OHKRUMVPEJNLOB-KZNAEPCWSA-N 2 0 308.429 2.703 20 0 DFADRP C[N@H+](CCCC[NH2+]C1CCC(O)(C(F)(F)F)CC1)C1CC1 ZINC000560349013 430033640 /nfs/dbraw/zinc/03/36/40/430033640.db2.gz LLBGXARPWOZSDQ-UHFFFAOYSA-N 2 0 308.388 2.686 20 0 DFADRP CCn1cc(CCN2CCC(CC)([NH+]3CCCC3)CC2)cn1 ZINC000639986150 430045970 /nfs/dbraw/zinc/04/59/70/430045970.db2.gz JUHBSUOHUJXZRH-UHFFFAOYSA-N 2 0 304.482 2.786 20 0 DFADRP CCC1([NH+]2CCCC2)CCN([C@@H](C)C(=O)NC(C)(C)C)CC1 ZINC000639988345 430046421 /nfs/dbraw/zinc/04/64/21/430046421.db2.gz PSCINLNEOVBTEA-HNNXBMFYSA-N 2 0 309.498 2.630 20 0 DFADRP CC[N@H+](Cc1ccc(C(=O)N[C@H](C)C[C@@H](C)[NH3+])cc1)C(C)C ZINC000573924464 429995625 /nfs/dbraw/zinc/99/56/25/429995625.db2.gz ULVAIMIOHYOTQY-HUUCEWRRSA-N 2 0 305.466 2.773 20 0 DFADRP COc1nc2ccccc2cc1C[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000574084559 430009702 /nfs/dbraw/zinc/00/97/02/430009702.db2.gz NYFSSEQDWXKHRB-IYBDPMFKSA-N 2 0 311.429 2.675 20 0 DFADRP O[C@@H]1CC[N@H+](Cc2ccc(-n3ccnc3)cc2)[C@H]2CCCC[C@H]12 ZINC000640098787 430088947 /nfs/dbraw/zinc/08/89/47/430088947.db2.gz PPIHIGYYUQMFDG-GBESFXJTSA-N 2 0 311.429 2.998 20 0 DFADRP CO[C@H](Cc1ccc(F)cc1)C[N@@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000530220931 430106021 /nfs/dbraw/zinc/10/60/21/430106021.db2.gz KQQYHZKVSOUBDV-QRQLOZEOSA-N 2 0 320.452 2.847 20 0 DFADRP Fc1ccc2c(c1)[C@H]([NH+]1CCC(CO[C@H]3CC[NH2+]C3)CC1)CC2 ZINC000530239145 430107473 /nfs/dbraw/zinc/10/74/73/430107473.db2.gz DKRVPEDKQWDQTN-PKOBYXMFSA-N 2 0 318.436 2.904 20 0 DFADRP COc1ccc(C[C@H](C)C[NH2+][C@@H]2CC[NH2+]C23CCC3)cc1F ZINC000530245123 430107732 /nfs/dbraw/zinc/10/77/32/430107732.db2.gz UMZNCTGMTUEZLF-SUMWQHHRSA-N 2 0 306.425 2.887 20 0 DFADRP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)CCCC[NH+](C)C)C1 ZINC000560598036 430057116 /nfs/dbraw/zinc/05/71/16/430057116.db2.gz QCTNXSTYURCRFY-SJLPKXTDSA-N 2 0 317.477 2.670 20 0 DFADRP C[C@H]1C[C@H](CC[NH2+]CC2(O)CCC2)C[N@@H+]1Cc1ccccc1 ZINC000580769675 430150423 /nfs/dbraw/zinc/15/04/23/430150423.db2.gz ZNUIQQRHVSCVTH-WMZOPIPTSA-N 2 0 302.462 2.792 20 0 DFADRP CC[N@H+](C)C[C@H](O)CN(Cc1ccc([C@H]2C[C@@H]2C)o1)C1CC1 ZINC000580841001 430157141 /nfs/dbraw/zinc/15/71/41/430157141.db2.gz GEAADRJCOAVRLL-QRTARXTBSA-N 2 0 306.450 2.680 20 0 DFADRP Cn1c2ccccc2nc1N[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC000535689088 430165817 /nfs/dbraw/zinc/16/58/17/430165817.db2.gz CXTHPVGYFILAHG-WBVHZDCISA-N 2 0 314.433 2.629 20 0 DFADRP CC[NH+](CC)CC1CC[NH+]([C@@H](c2nccn2C)C2CC2)CC1 ZINC000637904154 430167211 /nfs/dbraw/zinc/16/72/11/430167211.db2.gz BJRCJHSNVPMWDT-QGZVFWFLSA-N 2 0 304.482 2.925 20 0 DFADRP CCCC[N@H+](C)C[C@H](C)NC(=O)CC[NH+](C)C1CCCCC1 ZINC000580988224 430168281 /nfs/dbraw/zinc/16/82/81/430168281.db2.gz NUUMXUKQCLRJGL-INIZCTEOSA-N 2 0 311.514 2.878 20 0 DFADRP C[NH+](C)CC1CC[NH+]([C@@H](c2nnc[nH]2)C2CCCCC2)CC1 ZINC000637907179 430168376 /nfs/dbraw/zinc/16/83/76/430168376.db2.gz HTYOFZPYHSOGOK-MRXNPFEDSA-N 2 0 305.470 2.700 20 0 DFADRP CN(Cc1ccccc1OCCCCO)C[C@@H]1CCC[N@H+](C)C1 ZINC000637931016 430176623 /nfs/dbraw/zinc/17/66/23/430176623.db2.gz XTHKKECIQCXKRO-QGZVFWFLSA-N 2 0 320.477 2.612 20 0 DFADRP CCN1CCCC[C@H]1C[NH2+]C1CCC(O)(C(F)(F)F)CC1 ZINC000562316889 430118490 /nfs/dbraw/zinc/11/84/90/430118490.db2.gz NOWMJUGMDKGEAY-MOKVOYLWSA-N 2 0 308.388 2.686 20 0 DFADRP Cc1c([C@@H](C)NC[C@@H]2CCC[N@H+](C)C2)nnn1-c1ccccc1 ZINC000562316867 430119322 /nfs/dbraw/zinc/11/93/22/430119322.db2.gz HESQUBIKQUBMSC-ZBFHGGJFSA-N 2 0 313.449 2.568 20 0 DFADRP CCC[NH+]1CCC(N(C)Cc2cc(C(=O)OC)oc2C)CC1 ZINC000531382117 430139082 /nfs/dbraw/zinc/13/90/82/430139082.db2.gz OMVBDEOJZROBLX-UHFFFAOYSA-N 2 0 308.422 2.681 20 0 DFADRP C[NH+]1CCC2(CCC[N@H+](Cc3cccc4c3OCCO4)C2)CC1 ZINC000369702804 277036809 /nfs/dbraw/zinc/03/68/09/277036809.db2.gz KKUQYBBAZFFYMT-UHFFFAOYSA-N 2 0 316.445 2.766 20 0 DFADRP C[C@H]1C[C@@H](N(C)CC23CC(C2)C[NH2+]3)CC[N@@H+]1Cc1ccccc1 ZINC000634992470 430185456 /nfs/dbraw/zinc/18/54/56/430185456.db2.gz PYXOYYZBLLAXJN-VHBXLISGSA-N 2 0 313.489 2.723 20 0 DFADRP CC(C)[N@H+](C)CC1CC[NH+]([C@H](c2nccn2C)C2CC2)CC1 ZINC000637957266 430185738 /nfs/dbraw/zinc/18/57/38/430185738.db2.gz FNHOJUMSCKJYHN-KRWDZBQOSA-N 2 0 304.482 2.923 20 0 DFADRP C[N@@H+]1CCC[C@@H]1CC[NH+]1CCC2(CC1)OCc1ccccc12 ZINC000360420292 277060274 /nfs/dbraw/zinc/06/02/74/277060274.db2.gz WBQIAJDGQQXJAJ-QGZVFWFLSA-N 2 0 300.446 2.992 20 0 DFADRP Nc1ccc(-c2cccc(C[N@@H+]3CCC[C@@H](CC[NH3+])C3)n2)cc1 ZINC000634994129 430186836 /nfs/dbraw/zinc/18/68/36/430186836.db2.gz RNQPDPJRTVIRME-HNNXBMFYSA-N 2 0 310.445 2.892 20 0 DFADRP CCCC1CCC(C[N@@H+]2CC[C@H](n3cc(C[NH3+])nn3)C2)CC1 ZINC000635000325 430189072 /nfs/dbraw/zinc/18/90/72/430189072.db2.gz MHQUAFSXXPNUPC-DQPZFDDXSA-N 2 0 305.470 2.590 20 0 DFADRP CC[N@H+](C)C[C@H](O)C[NH+]1CCC[C@]1(C)Cc1ccc(F)cc1 ZINC000581200396 430189161 /nfs/dbraw/zinc/18/91/61/430189161.db2.gz GNOZKCFEXFEFPG-ZWKOTPCHSA-N 2 0 308.441 2.535 20 0 DFADRP COc1ccc(C[N@@H+]2C[C@H](C)[C@@H](C[NH3+])C2)cc1OCC(C)C ZINC000634999536 430189374 /nfs/dbraw/zinc/18/93/74/430189374.db2.gz VWSJSQZXIYVQBA-HOCLYGCPSA-N 2 0 306.450 2.757 20 0 DFADRP CC[C@H](C)Oc1cc(C[N@H+]2C[C@@H](C[NH3+])[C@H](C)C2)ccc1OC ZINC000634999031 430190561 /nfs/dbraw/zinc/19/05/61/430190561.db2.gz PAXOFKHMTDBIAE-IJEWVQPXSA-N 2 0 306.450 2.899 20 0 DFADRP C[C@H]1C[N@H+](Cc2cnn(Cc3ccccc3Cl)c2)C[C@@H]1C[NH3+] ZINC000634999283 430190738 /nfs/dbraw/zinc/19/07/38/430190738.db2.gz RYWUTEZVSBYCFJ-BBRMVZONSA-N 2 0 318.852 2.611 20 0 DFADRP C[C@H]([NH3+])[C@H]1COCC[C@@H]1[NH2+]Cc1ccsc1C(F)(F)F ZINC000635002959 430191003 /nfs/dbraw/zinc/19/10/03/430191003.db2.gz CKWQTWXNJBJGKS-GDPRMGEGSA-N 2 0 308.369 2.609 20 0 DFADRP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+][C@@H]1[C@@H]2Cc3c(cccc3Br)[C@@H]21 ZINC000635003314 430191290 /nfs/dbraw/zinc/19/12/90/430191290.db2.gz HYJVNGBTNFWTCR-BTQADYBMSA-N 2 0 321.262 2.804 20 0 DFADRP COC(=O)[C@H]1CC[C@@H]([NH2+]C2CC[NH+]([C@H]3CCCC[C@@H]3C)CC2)C1 ZINC000365308437 277132184 /nfs/dbraw/zinc/13/21/84/277132184.db2.gz QGKJZBQFMFDFIU-ONIAQPFYSA-N 2 0 322.493 2.961 20 0 DFADRP [NH3+][C@@H]1CCC[C@H]1[NH2+][C@@H]1[C@H]2Cc3cc(Br)ccc3[C@@H]12 ZINC000635003920 430191614 /nfs/dbraw/zinc/19/16/14/430191614.db2.gz FYQHQYHSWNNOJG-NJVJYBDUSA-N 2 0 307.235 2.557 20 0 DFADRP Fc1ccc([C@@H]2OCC[C@H]2[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)cc1F ZINC000635003035 430191859 /nfs/dbraw/zinc/19/18/59/430191859.db2.gz FIENZQNKJCJUOG-HFGWPOCOSA-N 2 0 322.399 2.773 20 0 DFADRP Cn1ccnc1[C@H]([NH2+][C@H]1CC[C@H](C[NH3+])CC1)c1cccc(F)c1 ZINC000635003485 430191899 /nfs/dbraw/zinc/19/18/99/430191899.db2.gz DJHYCMUFETTWSK-KBRIMQKVSA-N 2 0 316.424 2.756 20 0 DFADRP C[C@@]1(c2ccccc2)CC[C@H]([NH+]2CCC([NH2+]CCO)CC2)C1 ZINC000635002480 430191968 /nfs/dbraw/zinc/19/19/68/430191968.db2.gz SAONTERJWWAISE-RBUKOAKNSA-N 2 0 302.462 2.543 20 0 DFADRP CC[C@H](NC[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1C)[C@@H]1CCC[NH2+]1 ZINC000635003750 430192438 /nfs/dbraw/zinc/19/24/38/430192438.db2.gz LIERFKPBDUBMAV-GTAWCEEGSA-N 2 0 315.505 2.875 20 0 DFADRP CCC(CC)NC(=O)[C@H](C)[N@H+](C)CCCC[NH+]1CCCCC1 ZINC000640530330 430192682 /nfs/dbraw/zinc/19/26/82/430192682.db2.gz BUKAMJWGOAEJDW-INIZCTEOSA-N 2 0 311.514 2.878 20 0 DFADRP C[C@H]1C[C@H]([NH2+][C@H]2CC[C@H](C[NH3+])CC2)CN1Cc1ccccc1 ZINC000635007318 430192970 /nfs/dbraw/zinc/19/29/70/430192970.db2.gz PFHMUQSJUFQADX-CAMMJAKZSA-N 2 0 301.478 2.757 20 0 DFADRP CC1(C)[C@H]([NH2+]Cc2cccc3c2CC[NH2+]C3)[C@H]2CCCO[C@H]21 ZINC000635007604 430193023 /nfs/dbraw/zinc/19/30/23/430193023.db2.gz FEGYWRYDTQDKJR-KZNAEPCWSA-N 2 0 300.446 2.626 20 0 DFADRP CC(C)n1ccc(C[C@H](C)[NH2+]CC[C@H]([NH3+])Cc2ccccc2)n1 ZINC000635008157 430193463 /nfs/dbraw/zinc/19/34/63/430193463.db2.gz QVRGJGXOIZCUAJ-WMZOPIPTSA-N 2 0 314.477 2.945 20 0 DFADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000635004996 430193613 /nfs/dbraw/zinc/19/36/13/430193613.db2.gz RTWMPFIFTCPDMP-MZSJESITSA-N 2 0 313.489 2.627 20 0 DFADRP C[C@H](C[C@H]1CCCCC[NH2+]1)NCC[C@H]([NH3+])Cc1ccccc1 ZINC000635004504 430194125 /nfs/dbraw/zinc/19/41/25/430194125.db2.gz FFCVXDRXSFIGSB-NZSAHSFTSA-N 2 0 303.494 2.847 20 0 DFADRP COc1ccc(C[C@@H](C)[NH2+]CC2CC[NH2+]CC2)c(C)c1OC ZINC000581364045 430202328 /nfs/dbraw/zinc/20/23/28/430202328.db2.gz NJTUHTMUMBWFNI-CYBMUJFWSA-N 2 0 306.450 2.532 20 0 DFADRP COC[C@@H](CCC[NH3+])[NH2+]Cc1ccc(C)c(Br)c1 ZINC000635011920 430195194 /nfs/dbraw/zinc/19/51/94/430195194.db2.gz IKZWFGNFGCEDCT-CYBMUJFWSA-N 2 0 315.255 2.601 20 0 DFADRP Cc1ccc(CN2CC[C@H]([NH2+][C@@H](C)[C@H]3CCC[NH2+]C3)C2)cc1 ZINC000635010798 430195388 /nfs/dbraw/zinc/19/53/88/430195388.db2.gz BJLNDSAKKLPQPG-WDSOQIARSA-N 2 0 301.478 2.547 20 0 DFADRP C[C@@H]([NH2+][C@H]1CC[C@H](C[NH3+])CC1)c1ccc(OCC[NH+](C)C)cc1 ZINC000635009653 430195684 /nfs/dbraw/zinc/19/56/84/430195684.db2.gz YSVUULIBVFPJTQ-JFIYKMOQSA-N 3 0 319.493 2.795 20 0 DFADRP C[C@H](CCC(F)(F)F)Nc1cc(N2CC[NH2+]CC2)cc[nH+]1 ZINC000635008873 430195844 /nfs/dbraw/zinc/19/58/44/430195844.db2.gz LDHAGFNMDBGIAK-LLVKDONJSA-N 2 0 302.344 2.634 20 0 DFADRP C[C@H]([NH2+][C@H]1CC[NH2+]CC(C)(C)C1)c1ccc2[nH]c(=O)oc2c1 ZINC000635008235 430196502 /nfs/dbraw/zinc/19/65/02/430196502.db2.gz CPGGFGYGFMZQQR-AAEUAGOBSA-N 2 0 303.406 2.962 20 0 DFADRP COc1ccccc1[C@@H](C)Nc1cc(N2CC[NH2+]CC2)cc[nH+]1 ZINC000635010627 430196635 /nfs/dbraw/zinc/19/66/35/430196635.db2.gz UEEXTKFHRASAKZ-CQSZACIVSA-N 2 0 312.417 2.673 20 0 DFADRP [NH3+]C[C@H]1c2ccccc2CCN1C(=O)CC[C@@H]([NH3+])c1ccccc1 ZINC000581312601 430197691 /nfs/dbraw/zinc/19/76/91/430197691.db2.gz YGNYTBQNJQNEEF-MOPGFXCFSA-N 2 0 323.440 2.551 20 0 DFADRP [NH3+]C[C@@H]1c2ccccc2CCN1C(=O)CC[C@@H]([NH3+])c1ccccc1 ZINC000581312604 430197989 /nfs/dbraw/zinc/19/79/89/430197989.db2.gz YGNYTBQNJQNEEF-RTBURBONSA-N 2 0 323.440 2.551 20 0 DFADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]CCn1ccc(C(F)(F)F)n1 ZINC000635014432 430198301 /nfs/dbraw/zinc/19/83/01/430198301.db2.gz ULIDUUHKGRVHTI-OLZOCXBDSA-N 2 0 318.387 2.802 20 0 DFADRP CCc1cc(N[C@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)nc(C)n1 ZINC000542019063 430199774 /nfs/dbraw/zinc/19/97/74/430199774.db2.gz FFDBYDDLUFSIRI-HIFRSBDPSA-N 2 0 302.466 3.412 20 0 DFADRP C[NH+](C)Cc1cc(C[NH2+]C[C@H](O)C2CCCCC2)ccc1F ZINC000565535574 430218280 /nfs/dbraw/zinc/21/82/80/430218280.db2.gz JKOOXRVMSHRLPB-SFHVURJKSA-N 2 0 308.441 2.918 20 0 DFADRP CC[NH+](CC)Cc1cccc(CNC(=O)[C@@H]([NH3+])CCC(C)C)c1 ZINC000638064641 430222983 /nfs/dbraw/zinc/22/29/83/430222983.db2.gz MOTVIXNIGKOIFV-SFHVURJKSA-N 2 0 319.493 2.908 20 0 DFADRP C[NH+](C)CCOC1CC[NH+](Cc2ccc(C(F)F)nc2)CC1 ZINC000638061421 430223022 /nfs/dbraw/zinc/22/30/22/430223022.db2.gz GHDGIFLPACZYON-UHFFFAOYSA-N 2 0 313.392 2.562 20 0 DFADRP CC[NH+](CC)[C@H](CNC(=O)c1oc(C[NH3+])cc1C)CC(C)C ZINC000638060577 430223987 /nfs/dbraw/zinc/22/39/87/430223987.db2.gz XTUQUNKDYPJVIC-AWEZNQCLSA-N 2 0 309.454 2.533 20 0 DFADRP C[NH+](C)CCOC1CC[NH+](CC(C)(C)Oc2ccccc2)CC1 ZINC000638061906 430224658 /nfs/dbraw/zinc/22/46/58/430224658.db2.gz NEUOWURJNVVYPI-UHFFFAOYSA-N 2 0 320.477 2.887 20 0 DFADRP CC(C)C[N@@H+]1CCC[C@H](CN[C@@H]2CC[NH+](C)[C@@H]3CCC[C@@H]32)C1 ZINC000353617568 277397058 /nfs/dbraw/zinc/39/70/58/277397058.db2.gz DJQLTAUHOVRZMF-NCXUSEDFSA-N 2 0 307.526 2.817 20 0 DFADRP C[C@H]([NH2+][C@@H]1CCO[C@H]1c1ccc(F)c(F)c1)[C@H]1CCC[NH2+]C1 ZINC000565468180 430213796 /nfs/dbraw/zinc/21/37/96/430213796.db2.gz DCOLKZZPPLVDKN-BHADISHBSA-N 2 0 310.388 2.773 20 0 DFADRP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+][C@H]1CCO[C@@H](C(C)C)C1 ZINC000543238495 430241773 /nfs/dbraw/zinc/24/17/73/430241773.db2.gz OIMVPPLSSNXKBM-FUHWJXTLSA-N 2 0 314.433 2.869 20 0 DFADRP C[C@H](CC(=O)Nc1cccc(F)c1)[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000566092192 430241823 /nfs/dbraw/zinc/24/18/23/430241823.db2.gz OUMCIPWKOAGVAI-VWPFQQQWSA-N 2 0 319.424 2.521 20 0 DFADRP CC[N@H+](C)C[C@H]1CC[NH+](C[C@@H]2CCN(c3ccccc3)C2)C1 ZINC000638133943 430247598 /nfs/dbraw/zinc/24/75/98/430247598.db2.gz LTDZBZNCGSHYJO-MSOLQXFVSA-N 2 0 301.478 2.787 20 0 DFADRP [NH3+][C@H]1CCC[C@@H](C[NH2+]Cc2ccc(Oc3cnccn3)cc2)C1 ZINC000581931231 430252888 /nfs/dbraw/zinc/25/28/88/430252888.db2.gz AHDCXMWTXJQWGX-CVEARBPZSA-N 2 0 312.417 2.876 20 0 DFADRP Cc1ccc2c(C[N@H+]3CC[C@H](c4nccn4C)C3)ccc(O)c2n1 ZINC000566415022 430256929 /nfs/dbraw/zinc/25/69/29/430256929.db2.gz VWEVLWWZPJJWKY-HNNXBMFYSA-N 2 0 322.412 2.972 20 0 DFADRP C[N@H+](C[C@@H](O)CNc1cccc(Oc2ccncc2)c1)C1CC1 ZINC000581998737 430258973 /nfs/dbraw/zinc/25/89/73/430258973.db2.gz VEDSJIYFBDBRRV-INIZCTEOSA-N 2 0 313.401 2.741 20 0 DFADRP CCCC[N@H+](C)CC1CCN(C(=O)CCCC[NH+](C)C)CC1 ZINC000582018928 430260046 /nfs/dbraw/zinc/26/00/46/430260046.db2.gz LQUFFGWTZSXMIJ-UHFFFAOYSA-N 2 0 311.514 2.689 20 0 DFADRP C[N@@H+]1CCC[C@@H]2C[NH+](C[C@@H]3CCN(c4ccccc4)C3)CC[C@H]21 ZINC000638176455 430261271 /nfs/dbraw/zinc/26/12/71/430261271.db2.gz DTKQPCGIDTUCIA-NLWGTHIKSA-N 2 0 313.489 2.929 20 0 DFADRP CSC1(C[NH2+][C@@H](C)c2cn3ccccc3n2)CC[NH+](C)CC1 ZINC000566475665 430264326 /nfs/dbraw/zinc/26/43/26/430264326.db2.gz NUARSBGAAUYAFS-AWEZNQCLSA-N 2 0 318.490 2.812 20 0 DFADRP [NH3+][C@H]1CCC[C@H](Nc2cccc(C[NH+]3CCC(CO)CC3)c2)C1 ZINC000566480985 430265761 /nfs/dbraw/zinc/26/57/61/430265761.db2.gz DFJKWDIQZIMMFP-HKUYNNGSSA-N 2 0 317.477 2.573 20 0 DFADRP COc1ccccc1[C@H](C[NH2+][C@@H]1CCC[C@@H]([NH3+])C1)N1CCCC1 ZINC000566481870 430265853 /nfs/dbraw/zinc/26/58/53/430265853.db2.gz GXWBUSJBPBQJMJ-NUJGCVRESA-N 2 0 317.477 2.692 20 0 DFADRP COc1cc2c(cc1CN1CC[C@]3(CC[N@H+](C)C3)C1)O[C@H](C)C2 ZINC000582099170 430267607 /nfs/dbraw/zinc/26/76/07/430267607.db2.gz NRNBETDUFKYWNY-KUHUBIRLSA-N 2 0 316.445 2.546 20 0 DFADRP C[NH+](C)CC1(C(=O)N2CCC[N@@H+](C(C)(C)C)CC2)CCCCC1 ZINC000566655153 430269458 /nfs/dbraw/zinc/26/94/58/430269458.db2.gz MGJZUUAEBAOVPU-UHFFFAOYSA-N 2 0 323.525 2.831 20 0 DFADRP C[NH2+][C@@H](C)C(=O)Nc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000582132213 430271235 /nfs/dbraw/zinc/27/12/35/430271235.db2.gz FATHLKIOBYKSKA-AWEZNQCLSA-N 2 0 303.450 2.998 20 0 DFADRP [NH3+][C@H]1CCC[C@H]([NH2+]CCc2cc(Cl)c3c(c2)OCCO3)C1 ZINC000567179972 430279842 /nfs/dbraw/zinc/27/98/42/430279842.db2.gz ZWHLHWXWPUMAFV-STQMWFEESA-N 2 0 310.825 2.513 20 0 DFADRP [NH3+][C@@H]1CCC[C@H]([NH2+][C@H]2c3ccccc3CC23CCOCC3)C1 ZINC000581618232 430227336 /nfs/dbraw/zinc/22/73/36/430227336.db2.gz VFDCECDFBCLRLA-RYRKJORJSA-N 2 0 300.446 2.940 20 0 DFADRP CC(C)CC[C@H]([NH3+])C(=O)N1CCC[C@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000638086988 430233319 /nfs/dbraw/zinc/23/33/19/430233319.db2.gz YSSJKXVBCQOBKO-KSZLIROESA-N 2 0 323.525 2.863 20 0 DFADRP C[C@@H]([NH2+]C[C@H]1CC[C@H](C[NH3+])CC1)c1cccc(-n2ccnn2)c1 ZINC000566062600 430237041 /nfs/dbraw/zinc/23/70/41/430237041.db2.gz OQNBQKCKUHRGSS-BZUAXINKSA-N 2 0 313.449 2.683 20 0 DFADRP CC[NH+](CC)Cc1cccc(NC(=O)C2(C[NH+](C)C)CC2)c1 ZINC000635253565 430239497 /nfs/dbraw/zinc/23/94/97/430239497.db2.gz JSVCKDXEPYCSOP-UHFFFAOYSA-N 2 0 303.450 2.809 20 0 DFADRP C[C@@H]1C[C@H]([NH2+]Cc2ccc(C[NH+]3CCC(O)CC3)cc2)CS1 ZINC000638274428 430291392 /nfs/dbraw/zinc/29/13/92/430291392.db2.gz OLECZUIDNIZLPG-PBHICJAKSA-N 2 0 320.502 2.627 20 0 DFADRP CC[NH+](CC)Cc1ccc(C[NH2+]C[C@@H](OC)[C@H]2CCOC2)cc1 ZINC000638306279 430298853 /nfs/dbraw/zinc/29/88/53/430298853.db2.gz BLTTZLXRMLWKPO-RBUKOAKNSA-N 2 0 320.477 2.670 20 0 DFADRP c1[nH]c2ncncc2c1C[NH2+]Cc1ccc(C[NH+]2CCCC2)cc1 ZINC000638307406 430300503 /nfs/dbraw/zinc/30/05/03/430300503.db2.gz DOOFDPMXUGCUSQ-UHFFFAOYSA-N 2 0 321.428 2.795 20 0 DFADRP COc1ccccc1OCC[NH2+][C@H](C)C[C@@H]1CCCCC[NH2+]1 ZINC000582480684 430303618 /nfs/dbraw/zinc/30/36/18/430303618.db2.gz NVCLNGLBZXVOJC-CVEARBPZSA-N 2 0 306.450 2.974 20 0 DFADRP CC(C)[NH2+]CCCN[C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000582481434 430303681 /nfs/dbraw/zinc/30/36/81/430303681.db2.gz CBLHBFXOKXZKIN-PKOBYXMFSA-N 2 0 303.494 2.875 20 0 DFADRP C[C@@H](CC(=O)N(C)[C@@H](c1ncc[nH]1)c1ccccc1)n1ccnc1 ZINC000568045132 430308457 /nfs/dbraw/zinc/30/84/57/430308457.db2.gz NPEJXOJQZBCCOR-WMLDXEAASA-N 2 0 323.400 2.805 20 0 DFADRP CCn1cc(C2CC[NH+](Cc3ccc4c(c3)C[NH2+]CC4)CC2)cn1 ZINC000568050159 430309070 /nfs/dbraw/zinc/30/90/70/430309070.db2.gz OOLGEKYJNCAIPA-UHFFFAOYSA-N 2 0 324.472 2.928 20 0 DFADRP Cc1c(F)cccc1NC(=O)CC[NH+]1CCC(CC[NH3+])CC1 ZINC000568057015 430310580 /nfs/dbraw/zinc/31/05/80/430310580.db2.gz LOOPLXZLRKAACZ-UHFFFAOYSA-N 2 0 307.413 2.524 20 0 DFADRP CCO[C@@H]1C[C@H]([NH2+]CCCC[N@@H+]2CCC[C@@H](C)C2)[C@]12CCCO2 ZINC000638366290 430318071 /nfs/dbraw/zinc/31/80/71/430318071.db2.gz MZBYCPBDSBNWQG-FCGDIQPGSA-N 2 0 324.509 2.815 20 0 DFADRP CC1CC[NH+](CCCC[NH2+]Cc2c[nH]c3ncncc23)CC1 ZINC000638369392 430319011 /nfs/dbraw/zinc/31/90/11/430319011.db2.gz GTNFEUAIMGXNRD-UHFFFAOYSA-N 2 0 301.438 2.511 20 0 DFADRP C[C@H](C[NH2+]C[C@@H]1CCN(c2ccccc2)C1)C[NH+]1CCCC1 ZINC000638386779 430325776 /nfs/dbraw/zinc/32/57/76/430325776.db2.gz OZBVCAJECILZOI-MSOLQXFVSA-N 2 0 301.478 2.834 20 0 DFADRP COc1cc2c(cc1C[NH2+]CCC[C@H]1CCC[NH2+]1)O[C@@H](C)C2 ZINC000582713714 430326772 /nfs/dbraw/zinc/32/67/72/430326772.db2.gz NYEXPORBVRTDBJ-BBRMVZONSA-N 2 0 304.434 2.640 20 0 DFADRP Cn1cc(CC[NH2+][C@@H]2CCN(C3CC3)[C@@H](c3ccccc3)C2)cn1 ZINC000638398442 430331007 /nfs/dbraw/zinc/33/10/07/430331007.db2.gz ZIYQZHNUHRGMSQ-UYAOXDASSA-N 2 0 324.472 2.920 20 0 DFADRP C[C@H](CO)[NH2+]C[C@]1(C(C)(C)C)CC[N@H+](Cc2ccccc2)C1 ZINC000638411612 430332955 /nfs/dbraw/zinc/33/29/55/430332955.db2.gz CSNHNOLLYNMCJV-VQIMIIECSA-N 2 0 304.478 2.895 20 0 DFADRP C[N@H+](CC(=O)NC1CC[NH+](C2CCCCC2)CC1)CC(C)(C)C ZINC000635641172 430333632 /nfs/dbraw/zinc/33/36/32/430333632.db2.gz RJOIAYLNCXUATM-UHFFFAOYSA-N 2 0 323.525 2.878 20 0 DFADRP C[NH+](C)C1CC(N[C@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)C1 ZINC000568240094 430337978 /nfs/dbraw/zinc/33/79/78/430337978.db2.gz XNFRCBGUBZGWBW-VIQWUECVSA-N 2 0 313.489 2.866 20 0 DFADRP COc1cc(C[C@H](C)[NH2+]C2CC[NH+](C3CCC3)CC2)ccn1 ZINC000638425536 430340159 /nfs/dbraw/zinc/34/01/59/430340159.db2.gz MTWULLLNVLTSBR-AWEZNQCLSA-N 2 0 303.450 2.628 20 0 DFADRP Cc1c(F)cccc1NC(=O)CC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000568255728 430340333 /nfs/dbraw/zinc/34/03/33/430340333.db2.gz YSOKHDTWKGDCEV-GOOCMWNKSA-N 2 0 319.424 2.678 20 0 DFADRP COc1ccc(C[C@@H](C)C[NH2+]CCN2CC[C@@H](C)C2)cc1F ZINC000546009584 430340859 /nfs/dbraw/zinc/34/08/59/430340859.db2.gz MQJJAANDCJYZOS-HUUCEWRRSA-N 2 0 308.441 2.944 20 0 DFADRP C[C@@H]1CN(c2cccc(Cl)c2)CC[N@@H+]1CCc1cncn1C ZINC000582853683 430340989 /nfs/dbraw/zinc/34/09/89/430340989.db2.gz KCRNKUFWAVXZFY-CQSZACIVSA-N 2 0 318.852 2.827 20 0 DFADRP CC(C)C[C@H](C[NH+](C)C)NC(=O)CC[N@H+](C)C1CCCCC1 ZINC000546015800 430341940 /nfs/dbraw/zinc/34/19/40/430341940.db2.gz WUMZCIVHFLOLCJ-MRXNPFEDSA-N 2 0 311.514 2.734 20 0 DFADRP Cc1ncc(C[NH2+]CCc2nc(C(F)(F)F)cs2)n1C ZINC000583642225 430415798 /nfs/dbraw/zinc/41/57/98/430415798.db2.gz SHIUEVGSYLMKGY-UHFFFAOYSA-N 2 0 304.341 2.536 20 0 DFADRP CC(C)[C@@H]1CCCC[C@@H]1[NH2+]Cc1nnc(C2CC[NH2+]CC2)[nH]1 ZINC000583020085 430356731 /nfs/dbraw/zinc/35/67/31/430356731.db2.gz WRTJKXXIXLBJID-GJZGRUSLSA-N 2 0 305.470 2.576 20 0 DFADRP Cc1cc(C[NH+](C)C)cc(NC(=O)C[N@H+](C)CC(C)(C)C)c1 ZINC000635739873 430362487 /nfs/dbraw/zinc/36/24/87/430362487.db2.gz GDZDJIOSYRDMEX-UHFFFAOYSA-N 2 0 305.466 2.973 20 0 DFADRP C[C@H](NC(=O)CC[N@H+](C)C1CCCCC1)C(C)(C)C[NH+](C)C ZINC000547738196 430417211 /nfs/dbraw/zinc/41/72/11/430417211.db2.gz JDNNSZXKLXMPOF-HNNXBMFYSA-N 2 0 311.514 2.734 20 0 DFADRP CO[C@](C)(C[NH2+]C[C@@H]1CC[N@H+](CCc2ccccc2)C1)C1CC1 ZINC000638521277 430366184 /nfs/dbraw/zinc/36/61/84/430366184.db2.gz FBPUQDMFUZGSMM-AZUAARDMSA-N 2 0 316.489 2.956 20 0 DFADRP c1ccc(CC[N@H+]2CC[C@@H](C[NH2+]CCC[C@H]3CCO3)C2)cc1 ZINC000638522093 430367680 /nfs/dbraw/zinc/36/76/80/430367680.db2.gz XAVLUODCPKGBTJ-OALUTQOASA-N 2 0 302.462 2.710 20 0 DFADRP C[C@@H](C(=O)N1CCCc2cccc(C[NH3+])c21)[C@H]([NH3+])c1ccccc1 ZINC000638549170 430373799 /nfs/dbraw/zinc/37/37/99/430373799.db2.gz PZGKJKWXPVBGAO-KDOFPFPSSA-N 2 0 323.440 2.761 20 0 DFADRP C[C@H](NC[C@H](c1cccs1)[NH+]1CCCC1)[C@@H]1CCC[NH2+]C1 ZINC000568618657 430376121 /nfs/dbraw/zinc/37/61/21/430376121.db2.gz OKXBVZGTCJJOBA-ARFHVFGLSA-N 2 0 307.507 2.863 20 0 DFADRP CC[NH+](CC)CCCC1CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC000635790790 430377381 /nfs/dbraw/zinc/37/73/81/430377381.db2.gz ZERPCMXLTZPDLA-SFHVURJKSA-N 2 0 323.525 2.689 20 0 DFADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+][C@@H]1CCO[C@H](c2ccnn2C)C1 ZINC000583257116 430377826 /nfs/dbraw/zinc/37/78/26/430377826.db2.gz HBNDEKZUQUTRNM-HPFXQQBRSA-N 2 0 320.481 2.541 20 0 DFADRP COc1cc(C[C@@H](C)[NH2+]C[C@@H]2CCC[N@@H+](C(C)C)C2)ccn1 ZINC000638566376 430377904 /nfs/dbraw/zinc/37/79/04/430377904.db2.gz HCNIYSGIOYGDLP-WBVHZDCISA-N 2 0 305.466 2.731 20 0 DFADRP CCC[NH+]1CCC(C[NH2+][C@H](C)Cc2ccnc(OC)c2)CC1 ZINC000638564893 430378221 /nfs/dbraw/zinc/37/82/21/430378221.db2.gz KLDXZJIXKFQWBV-OAHLLOKOSA-N 2 0 305.466 2.733 20 0 DFADRP CC(C)(O)C[NH+]1CCC([NH2+]C[C@H]2CCc3ccccc3C2)CC1 ZINC000638610412 430389406 /nfs/dbraw/zinc/38/94/06/430389406.db2.gz WSMGTIBPFQZRTN-INIZCTEOSA-N 2 0 316.489 2.616 20 0 DFADRP Cc1nn(-c2ccc(F)cc2F)c(C)c1C[NH2+][C@H](C)C[C@H](C)[NH3+] ZINC000583381183 430389606 /nfs/dbraw/zinc/38/96/06/430389606.db2.gz ANKPLLZKARFJAK-WDEREUQCSA-N 2 0 322.403 2.983 20 0 DFADRP CC(C)(O)C[NH+]1CCC([NH2+][C@H](Cc2ccccc2)C2CC2)CC1 ZINC000638627856 430391134 /nfs/dbraw/zinc/39/11/34/430391134.db2.gz NCXYWGGPXIZYGR-LJQANCHMSA-N 2 0 316.489 2.833 20 0 DFADRP C[N@@H+]1CCC[C@H](N2CCN(c3cc(C(C)(C)C)ccn3)CC2)C1 ZINC000641380065 430391888 /nfs/dbraw/zinc/39/18/88/430391888.db2.gz JUZWNIVEDJGQKW-KRWDZBQOSA-N 2 0 316.493 2.595 20 0 DFADRP C[NH+](C)CC1CCC([NH2+]C[C@@H](O)CCc2ccccc2)CC1 ZINC000568857799 430399608 /nfs/dbraw/zinc/39/96/08/430399608.db2.gz QGXXQGRAKXEAPG-ACBHZAAOSA-N 2 0 304.478 2.690 20 0 DFADRP C[C@@H](c1ccncc1)[NH+]1CCC(Nc2cc(CO)ccn2)CC1 ZINC000641456109 430405639 /nfs/dbraw/zinc/40/56/39/430405639.db2.gz RNHYSBUAASOUGC-AWEZNQCLSA-N 2 0 312.417 2.606 20 0 DFADRP Cc1cccc([C@H](C)C[NH2+]C2CC[NH+](CC(C)(C)O)CC2)c1 ZINC000638681622 430405772 /nfs/dbraw/zinc/40/57/72/430405772.db2.gz LAMJMXGSSIKBSA-MRXNPFEDSA-N 2 0 304.478 2.923 20 0 DFADRP Cc1ccccc1O[C@@H](C)C[NH2+]C1CC[NH+](CC(C)(C)O)CC1 ZINC000638691630 430411134 /nfs/dbraw/zinc/41/11/34/430411134.db2.gz ZXZCOVXMSPCMHO-INIZCTEOSA-N 2 0 320.477 2.587 20 0 DFADRP CO[C@H](C[NH2+]C1CCC(C[NH+](C)C)CC1)Cc1ccccc1 ZINC000638781019 430433620 /nfs/dbraw/zinc/43/36/20/430433620.db2.gz ZNGKVJUEKCNABR-ACBHZAAOSA-N 2 0 304.478 2.954 20 0 DFADRP C[C@@H](O)C[NH2+]C[C@@]1(C(C)(C)C)CC[N@H+](Cc2ccccc2)C1 ZINC000638796839 430436459 /nfs/dbraw/zinc/43/64/59/430436459.db2.gz MSNOCJZTECTOEX-APWZRJJASA-N 2 0 304.478 2.895 20 0 DFADRP CN(CCCC[NH+]1CCCCC1)C(=O)CC[C@@H]1CCCC[N@@H+]1C ZINC000641663341 430437800 /nfs/dbraw/zinc/43/78/00/430437800.db2.gz WPTCPLCBPULCGC-SFHVURJKSA-N 2 0 323.525 2.975 20 0 DFADRP CN(Cc1ccccc1)CC(C)(C)[NH2+]Cc1c[nH]c2ncncc12 ZINC000638815181 430442808 /nfs/dbraw/zinc/44/28/08/430442808.db2.gz FZBCKHKJUZUYGH-UHFFFAOYSA-N 2 0 323.444 2.910 20 0 DFADRP C[N@H+](CCC(=O)NCC(C)(C)C[NH+]1CCCC1)C1CCCCC1 ZINC000548065284 430443146 /nfs/dbraw/zinc/44/31/46/430443146.db2.gz WEHKQSXNCJNHDD-UHFFFAOYSA-N 2 0 323.525 2.879 20 0 DFADRP C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)CC[NH+](C)C1CCCCC1 ZINC000548060480 430444389 /nfs/dbraw/zinc/44/43/89/430444389.db2.gz AWSSODBNXBGMPH-IAGOWNOFSA-N 2 0 323.525 2.878 20 0 DFADRP C[C@@H]1C[C@@H](N(C)C(=O)CC[NH+](C)C2CCCCC2)CC[N@@H+]1C ZINC000548060384 430444757 /nfs/dbraw/zinc/44/47/57/430444757.db2.gz WGHYGWIDVNSQDB-WBVHZDCISA-N 2 0 309.498 2.582 20 0 DFADRP OCc1ccc(C[NH2+]CC2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC000638836521 430449431 /nfs/dbraw/zinc/44/94/31/430449431.db2.gz HIVXFKAIJQSXNR-UHFFFAOYSA-N 2 0 311.429 2.580 20 0 DFADRP CO[C@@](C)(C[NH2+]CC1CCN(c2cc[nH+]cc2)CC1)C1CC1 ZINC000638836596 430450372 /nfs/dbraw/zinc/45/03/72/430450372.db2.gz JAVAJRAFSGOGLS-SFHVURJKSA-N 2 0 303.450 2.703 20 0 DFADRP CC[C@@H](C)[C@@H](C[NH2+]CC1CCN(c2cc[nH+]cc2)CC1)OC ZINC000638836338 430450725 /nfs/dbraw/zinc/45/07/25/430450725.db2.gz FHKNTAQOJFKLLQ-CRAIPNDOSA-N 2 0 305.466 2.949 20 0 DFADRP C[C@@H]([NH3+])CCC(=O)N[C@@H]1CCCCC[N@H+](Cc2ccccc2)C1 ZINC000638852287 430455430 /nfs/dbraw/zinc/45/54/30/430455430.db2.gz XBYUYBQOTOSBHD-SJLPKXTDSA-N 2 0 317.477 2.675 20 0 DFADRP CC(C)C[N@@H+]1CCC[C@@H](C[NH2+]Cc2ccc3[nH]c(=O)[nH]c3c2)C1 ZINC000641741258 430456359 /nfs/dbraw/zinc/45/63/59/430456359.db2.gz FIZRHYGWAKZSLH-HNNXBMFYSA-N 2 0 316.449 2.726 20 0 DFADRP CC1([NH+]2CCCC2)CCN(C(=O)C[C@@H]([NH3+])c2ccccc2)CC1 ZINC000638859143 430457957 /nfs/dbraw/zinc/45/79/57/430457957.db2.gz ITFLICBKJWYNBD-QGZVFWFLSA-N 2 0 315.461 2.553 20 0 DFADRP CC1([NH+]2CCCC2)CCN(C(=O)CC2(C[NH3+])CCCCC2)CC1 ZINC000638859134 430458507 /nfs/dbraw/zinc/45/85/07/430458507.db2.gz IKNMBHDEAPSKKV-UHFFFAOYSA-N 2 0 321.509 2.763 20 0 DFADRP CC[C@H]([NH2+][C@@H](CN1CC[NH+](C)CC1)c1ccccc1)C(C)C ZINC000569541965 430463103 /nfs/dbraw/zinc/46/31/03/430463103.db2.gz SFOLTAMAMXKYKS-OALUTQOASA-N 2 0 303.494 2.999 20 0 DFADRP COc1cccc2c1CCC[C@@H]2[NH2+]C[C@H]1CCCCN1CCO ZINC000584154959 430464441 /nfs/dbraw/zinc/46/44/41/430464441.db2.gz ZXAWIRUAEVPLOF-QAPCUYQASA-N 2 0 318.461 2.509 20 0 DFADRP CC(C)C[N@@H+]1CC[C@@H](CNC(=O)CC[NH+](C)C2CCCCC2)C1 ZINC000548392888 430468375 /nfs/dbraw/zinc/46/83/75/430468375.db2.gz WMAWAKHCRCCAQQ-KRWDZBQOSA-N 2 0 323.525 2.735 20 0 DFADRP CC[N@H+](Cc1ccc(C(=O)N2C[C@H](C)[C@@H](C[NH3+])C2)cc1)C(C)C ZINC000638894158 430469647 /nfs/dbraw/zinc/46/96/47/430469647.db2.gz PNYBJDMQBLWCFR-YJBOKZPZSA-N 2 0 317.477 2.584 20 0 DFADRP CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)CC[NH+](C)C1CCCCC1 ZINC000548388490 430470058 /nfs/dbraw/zinc/47/00/58/430470058.db2.gz SODBSZXAWRLOOP-GOSISDBHSA-N 2 0 323.525 2.974 20 0 DFADRP C[NH+](C)CC1(CNC(=O)CC[N@H+](C)C2CCCCC2)CCCC1 ZINC000548392239 430470173 /nfs/dbraw/zinc/47/01/73/430470173.db2.gz HXYYMWRVJOWKDM-UHFFFAOYSA-N 2 0 323.525 2.879 20 0 DFADRP CC(C)Oc1ccc([C@@H](C)[NH2+]CCCN2CC[NH+](C)CC2)cc1 ZINC000120408205 277702002 /nfs/dbraw/zinc/70/20/02/277702002.db2.gz NYCMDZQKDUQGGB-QGZVFWFLSA-N 2 0 319.493 2.762 20 0 DFADRP CC1(C)[C@H]([NH3+])C[C@H]1[NH2+]CCc1nc(-c2cccc(Cl)c2)no1 ZINC000641803600 430476848 /nfs/dbraw/zinc/47/68/48/430476848.db2.gz UFPLKMWMWDELEU-CHWSQXEVSA-N 2 0 320.824 2.648 20 0 DFADRP CC1(C)[C@H]([NH3+])C[C@@H]1[NH2+]CCOc1ccccc1Br ZINC000641802489 430476967 /nfs/dbraw/zinc/47/69/67/430476967.db2.gz LUFSADYWECOHGI-OLZOCXBDSA-N 2 0 313.239 2.543 20 0 DFADRP CCCN1CCC[C@H]1C[NH2+][C@@H](C)CC(=O)N(C)c1ccccc1 ZINC000569680111 430477469 /nfs/dbraw/zinc/47/74/69/430477469.db2.gz XWERFESBYZJTKJ-WMZOPIPTSA-N 2 0 317.477 2.892 20 0 DFADRP C[C@H]1Cc2ccccc2N1C1CC[NH+](CC[C@@H]2CC[NH2+]C2)CC1 ZINC000641807065 430477948 /nfs/dbraw/zinc/47/79/48/430477948.db2.gz GRGWATFCQYEYSV-IRXDYDNUSA-N 2 0 313.489 2.902 20 0 DFADRP OCCC[N@H+](Cc1ccccc1)Cc1ccc2c(c1)C[NH2+]CC2 ZINC000583698229 430420895 /nfs/dbraw/zinc/42/08/95/430420895.db2.gz RBBLNGUUBQNLHR-UHFFFAOYSA-N 2 0 310.441 2.717 20 0 DFADRP CCN(C[C@H]1CCC[N@@H+]1CC)C(=O)[C@H](C)[NH+]1CCCCCC1 ZINC000547798650 430423537 /nfs/dbraw/zinc/42/35/37/430423537.db2.gz NVLNEGHLWSEEKW-DLBZAZTESA-N 2 0 309.498 2.584 20 0 DFADRP C[C@@H]([NH2+]CC1(C)CC[NH2+]CC1)c1ccc2c(c1)CCC(=O)N2 ZINC000583806626 430429303 /nfs/dbraw/zinc/42/93/03/430429303.db2.gz JRPXMVOUFVCYFE-CYBMUJFWSA-N 2 0 301.434 2.612 20 0 DFADRP C[C@@H](O)CC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H]2CCC[C@@H]21 ZINC000583794411 430429422 /nfs/dbraw/zinc/42/94/22/430429422.db2.gz OWTZUMMTUIKCBY-OWYHZJEWSA-N 2 0 302.462 2.790 20 0 DFADRP C[NH+]1CCC(C)(C[NH2+]C[C@@H]2CCN(c3ccccc3)C2)CC1 ZINC000638958365 430482511 /nfs/dbraw/zinc/48/25/11/430482511.db2.gz MKVKJFJJDBFXKW-KRWDZBQOSA-N 2 0 301.478 2.834 20 0 DFADRP CCCc1nc(C)c(C[N@@H+]2CCCC[C@@H]2[C@@H]2C[C@H]([NH3+])CCO2)o1 ZINC000641821562 430482537 /nfs/dbraw/zinc/48/25/37/430482537.db2.gz LOXSYYXQUPEYRU-OAGGEKHMSA-N 2 0 321.465 2.796 20 0 DFADRP CC[C@](C)(C[NH+]1CCC(CCC[NH+]2CCOCC2)CC1)OC ZINC000638961349 430482874 /nfs/dbraw/zinc/48/28/74/430482874.db2.gz TVUFBUWUWMRIHS-GOSISDBHSA-N 2 0 312.498 2.626 20 0 DFADRP CCCc1nc(C)c(C[N@@H+]2CCCC[C@@H]2[C@H]2C[C@H]([NH3+])CCO2)o1 ZINC000641821561 430483220 /nfs/dbraw/zinc/48/32/20/430483220.db2.gz LOXSYYXQUPEYRU-BZUAXINKSA-N 2 0 321.465 2.796 20 0 DFADRP CCC1([NH+](C)C)CCN(C(=O)[C@H](C)[C@H]([NH3+])c2ccccc2)CC1 ZINC000638975294 430486968 /nfs/dbraw/zinc/48/69/68/430486968.db2.gz JESNXUXTTLZLIC-WBVHZDCISA-N 2 0 317.477 2.655 20 0 DFADRP CCC1([NH+](C)C)CCN(C(=O)CC[C@@H]([NH3+])c2ccccc2)CC1 ZINC000638975512 430486977 /nfs/dbraw/zinc/48/69/77/430486977.db2.gz JROVIXRBXZERTB-QGZVFWFLSA-N 2 0 317.477 2.799 20 0 DFADRP CCCC[C@@H](CC)C(=O)Nc1cc(N2CC[NH2+]CC2)cc[nH+]1 ZINC000638987748 430488776 /nfs/dbraw/zinc/48/87/76/430488776.db2.gz YEJQOCXCDKHXRB-CQSZACIVSA-N 2 0 304.438 2.646 20 0 DFADRP CC[C@H](C(=O)Nc1cc(N2CC[NH2+]CC2)cc[nH+]1)c1ccccc1 ZINC000638987070 430488850 /nfs/dbraw/zinc/48/88/50/430488850.db2.gz KCPPHONAYIPVFM-KRWDZBQOSA-N 2 0 324.428 2.624 20 0 DFADRP C[C@@H]1CC[N@H+](CCN[C@H]2CC[NH+](C)[C@@H](c3ccccc3)C2)C1 ZINC000569832404 430489616 /nfs/dbraw/zinc/48/96/16/430489616.db2.gz YAGKELRFMASNDV-NZSAHSFTSA-N 2 0 301.478 2.753 20 0 DFADRP C[NH+](C)Cc1cccc(C(=O)N2C[C@@H](C[NH3+])Cc3ccccc32)c1 ZINC000639024536 430495685 /nfs/dbraw/zinc/49/56/85/430495685.db2.gz PVLSGMHXCVRQRR-MRXNPFEDSA-N 2 0 323.440 2.526 20 0 DFADRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+]C[C@@]1(C)C[C@@H]1c1ccccc1 ZINC000639057703 430506161 /nfs/dbraw/zinc/50/61/61/430506161.db2.gz UWALGYZMGZNOCC-MISYRCLQSA-N 2 0 315.505 2.796 20 0 DFADRP c1ccc2c(c1)OC[C@@H](C[NH+]1CCC(C[NH+]3CCCC3)CC1)O2 ZINC000642643166 430523811 /nfs/dbraw/zinc/52/38/11/430523811.db2.gz HONMGGRXVNPNSZ-QGZVFWFLSA-N 2 0 316.445 2.634 20 0 DFADRP CC(C)(O)C[NH+]1CCC([NH2+]C[C@@H]2CCC3(CCCCC3)O2)CC1 ZINC000639100465 430523992 /nfs/dbraw/zinc/52/39/92/430523992.db2.gz WOWRDJKURGCYIQ-KRWDZBQOSA-N 2 0 324.509 2.693 20 0 DFADRP C[NH+](C)[C@H]1CCCN(Cc2ccccc2OCCCCO)CC1 ZINC000639104054 430524688 /nfs/dbraw/zinc/52/46/88/430524688.db2.gz OEJICTXTKDSIEB-SFHVURJKSA-N 2 0 320.477 2.754 20 0 DFADRP CO[C@@](C)(C[NH2+]C[C@H]1CC[N@H+](Cc2ccccc2)C1)C1CC1 ZINC000639117502 430532779 /nfs/dbraw/zinc/53/27/79/430532779.db2.gz GYIXCJSKWIYEKO-MJGOQNOKSA-N 2 0 302.462 2.913 20 0 DFADRP CN(C[C@H](O)C[NH2+][C@H]1CC[C@H](c2ccc(F)cc2)C1)C1CC1 ZINC000570325404 430532905 /nfs/dbraw/zinc/53/29/05/430532905.db2.gz WTGOIALFYZLSNH-QILLFSRXSA-N 2 0 306.425 2.507 20 0 DFADRP C[C@H]1CCN(CCC[NH+]2CCCC2)C[C@@H]1C(=O)OC(C)(C)C ZINC000570329524 430532916 /nfs/dbraw/zinc/53/29/16/430532916.db2.gz QFQAQXDHNMZWDP-HOTGVXAUSA-N 2 0 310.482 2.772 20 0 DFADRP CN1CC[C@H]([NH2+]Cc2ccc(C(N)=O)cc2)C[C@@H]1c1ccccc1 ZINC000550996865 430549235 /nfs/dbraw/zinc/54/92/35/430549235.db2.gz GVHJKGLTNRKCFO-RBUKOAKNSA-N 2 0 323.440 2.711 20 0 DFADRP Cc1noc(C2CCC([NH2+]Cc3ccc(C[NH3+])cc3)CC2)n1 ZINC000570570838 430554466 /nfs/dbraw/zinc/55/44/66/430554466.db2.gz ASUOUOYJHOBQMV-UHFFFAOYSA-N 2 0 300.406 2.653 20 0 DFADRP C[N@@H+]1CCCC[C@H]1CC[NH+]1CCC(Nc2ccccn2)CC1 ZINC000551526133 430556542 /nfs/dbraw/zinc/55/65/42/430556542.db2.gz DGASFYQZFKZJBT-KRWDZBQOSA-N 2 0 302.466 2.832 20 0 DFADRP COc1cccc(OC)c1C[N@@H+]1CC[C@H](C2CC[NH+](C)CC2)C1 ZINC000639176856 430556568 /nfs/dbraw/zinc/55/65/68/430556568.db2.gz LWBUZMKRWJEAGR-INIZCTEOSA-N 2 0 318.461 2.868 20 0 DFADRP C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C[C@@H]2CCN(c3ccccc3)C2)C1 ZINC000639178949 430559159 /nfs/dbraw/zinc/55/91/59/430559159.db2.gz PVAUKOLACXXNGK-QWFCFKBJSA-N 2 0 313.489 2.929 20 0 DFADRP CC(C)C(C[NH2+]Cc1cccnc1N1CC[NH+](C)CC1)C(C)C ZINC000551538285 430559301 /nfs/dbraw/zinc/55/93/01/430559301.db2.gz UHDGDZIBUPEKJS-UHFFFAOYSA-N 2 0 318.509 2.851 20 0 DFADRP CO[C@H](Cc1ccccc1)C[N@@H+]1CCC[C@H]2C[NH+](C)CC[C@H]21 ZINC000639180274 430559337 /nfs/dbraw/zinc/55/93/37/430559337.db2.gz WDOONZKUVDOURU-IPMKNSEASA-N 2 0 302.462 2.660 20 0 DFADRP C[C@H]([NH2+]Cc1ccncc1OCCC[NH+](C)C)[C@H]1CC1(F)F ZINC000639185144 430562092 /nfs/dbraw/zinc/56/20/92/430562092.db2.gz HGQIBVFLONKPQS-GXTWGEPZSA-N 2 0 313.392 2.545 20 0 DFADRP [NH3+][C@H]1CCCCCC[C@@H]1C(=O)Nc1cccc2c1CC[NH2+]C2 ZINC000570675164 430566590 /nfs/dbraw/zinc/56/65/90/430566590.db2.gz RZDHYRVDQGRFDK-HOTGVXAUSA-N 2 0 301.434 2.569 20 0 DFADRP CCC[N@H+](C)CC(=O)NC[C@H]1CCC[NH+](C)[C@@H]1c1ccccc1 ZINC000551894989 430568401 /nfs/dbraw/zinc/56/84/01/430568401.db2.gz VYLVZEWCHAPTTL-IEBWSBKVSA-N 2 0 317.477 2.528 20 0 DFADRP CC(C)(O)C[NH+]1CCC([NH2+][C@H]2C[C@H](c3ccc(F)cc3)C2)CC1 ZINC000639204218 430570025 /nfs/dbraw/zinc/57/00/25/430570025.db2.gz LGTALRYPIKUYPZ-RZDIXWSQSA-N 2 0 320.452 2.897 20 0 DFADRP C[C@H](CCCC[NH3+])[NH2+]C[C@@H]1CCN(c2ccc(F)c(F)c2)C1 ZINC000643453250 430602601 /nfs/dbraw/zinc/60/26/01/430602601.db2.gz UCCUULUETVRULI-KGLIPLIRSA-N 2 0 311.420 2.898 20 0 DFADRP O=C(CC[NH2+]C1CC([NH+]2CCCCC2)C1)Nc1ccccc1 ZINC000570836274 430582105 /nfs/dbraw/zinc/58/21/05/430582105.db2.gz DPKCPCGYPFULGT-UHFFFAOYSA-N 2 0 301.434 2.622 20 0 DFADRP C[NH+](C)CCOc1cccc(N[C@@H]2CC[N@H+](C)[C@@H]3CCC[C@@H]32)c1 ZINC000552070764 430582456 /nfs/dbraw/zinc/58/24/56/430582456.db2.gz CXRHKIMVMABYNK-GUDVDZBRSA-N 2 0 317.477 2.912 20 0 DFADRP C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)Nc1ccc2c(c1)C[NH2+]C2 ZINC000570867469 430584955 /nfs/dbraw/zinc/58/49/55/430584955.db2.gz KBNCQNKLYADNBU-AWEZNQCLSA-N 2 0 316.449 2.532 20 0 DFADRP C[C@H]([NH2+][C@@H]1CCN(C2CC[NH+](C)CC2)C1)c1ccncc1Cl ZINC000643346176 430588290 /nfs/dbraw/zinc/58/82/90/430588290.db2.gz GTIWAWFKASKGQK-UONOGXRCSA-N 2 0 322.884 2.554 20 0 DFADRP Cc1cc(NC2CC[NH+](CC(C)(C)O)CC2)ccc1C[NH+](C)C ZINC000639258417 430589763 /nfs/dbraw/zinc/58/97/63/430589763.db2.gz JBAWMHKGTPTYHX-UHFFFAOYSA-N 2 0 319.493 2.704 20 0 DFADRP c1cn(-c2csc(C[N@@H+]3CC[C@]4(C3)CCC[NH2+]C4)c2)cn1 ZINC000570927694 430589926 /nfs/dbraw/zinc/58/99/26/430589926.db2.gz GPSJBVXRGFAZEQ-MRXNPFEDSA-N 2 0 302.447 2.509 20 0 DFADRP CC[C@@H](C)[C@@H](C[NH2+]CC1CC[NH+](C2CCOCC2)CC1)OC ZINC000639303954 430602255 /nfs/dbraw/zinc/60/22/55/430602255.db2.gz PRKIMDZLXHCXAG-CRAIPNDOSA-N 2 0 312.498 2.528 20 0 DFADRP C[N@@H+]1CCCN(CCC[NH2+]Cc2cccc(C3CC3)c2)CC1 ZINC000643369260 430593734 /nfs/dbraw/zinc/59/37/34/430593734.db2.gz VTYPDQLHBHJHHW-UHFFFAOYSA-N 2 0 301.478 2.681 20 0 DFADRP Cc1cc(C)n(-c2ccc(CC[NH2+][C@@H]3CCC[C@@H]([NH3+])C3)cc2)n1 ZINC000570984960 430594508 /nfs/dbraw/zinc/59/45/08/430594508.db2.gz ADDMSNYRQJAIID-QZTJIDSGSA-N 2 0 312.461 2.891 20 0 DFADRP C[NH+]1CCC(Oc2ccc(C[NH2+]Cc3ccns3)cc2)CC1 ZINC000639146297 430542762 /nfs/dbraw/zinc/54/27/62/430542762.db2.gz GGFCLGPNKOFKCI-UHFFFAOYSA-N 2 0 317.458 2.906 20 0 DFADRP CC(C)C[N@@H+]1CCC[C@@H](C[NH2+][C@H]2COc3ccccc3C2)C1 ZINC000550700403 430544819 /nfs/dbraw/zinc/54/48/19/430544819.db2.gz HVOUHJSGSMMBNQ-FUHWJXTLSA-N 2 0 302.462 2.948 20 0 DFADRP COc1ccc(COCCN2CCCC[C@@H]2[C@H]2CCC[NH2+]2)cc1 ZINC000643061673 430545536 /nfs/dbraw/zinc/54/55/36/430545536.db2.gz FEIXCSXSUHCFSY-RTBURBONSA-N 2 0 318.461 2.818 20 0 DFADRP Cc1ccnc(NC[C@@H]2CC[N@H+](C[C@H]3CC(C)(C)CO3)C2)c1 ZINC000639483277 430651509 /nfs/dbraw/zinc/65/15/09/430651509.db2.gz RRADAYVMERISTM-JKSUJKDBSA-N 2 0 303.450 2.939 20 0 DFADRP C[C@H](C(=O)Nc1ccccc1C[NH+](C)C)[NH+]1[C@H](C)CC[C@H]1C ZINC000554727475 430651768 /nfs/dbraw/zinc/65/17/68/430651768.db2.gz DAZFLODWGIGSRG-RBSFLKMASA-N 2 0 303.450 2.948 20 0 DFADRP Cc1ccc(C[NH2+]C[C@H]2CCC[N@H+](C)C2)c(-c2ccnn2C)c1 ZINC000554919314 430655726 /nfs/dbraw/zinc/65/57/26/430655726.db2.gz UKPTWVZJLOPAMD-MRXNPFEDSA-N 2 0 312.461 2.827 20 0 DFADRP C[C@@H]1OCC[C@H]1C[N@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000639504007 430658430 /nfs/dbraw/zinc/65/84/30/430658430.db2.gz OVYKJEDHHZCDNS-UHOSZYNNSA-N 2 0 302.462 2.865 20 0 DFADRP C[C@H](NC[C@H](c1ccccc1)[NH+]1CCCC1)[C@@H]1CCC[NH2+]C1 ZINC000643454231 430602832 /nfs/dbraw/zinc/60/28/32/430602832.db2.gz OEQNMJLBAWHCNZ-QXAKKESOSA-N 2 0 301.478 2.801 20 0 DFADRP C[C@H]([NH3+])[C@@H]1COCC[C@H]1[NH2+]CCc1c[nH]c2cc(Cl)ccc12 ZINC000643457545 430603558 /nfs/dbraw/zinc/60/35/58/430603558.db2.gz KXABGFSRFZEBLP-KNXALSJPSA-N 2 0 321.852 2.706 20 0 DFADRP [NH3+][C@@H]1CCCCC[C@H]1[NH2+][C@H]1CCN(c2ccc(F)cc2F)C1 ZINC000643462975 430604437 /nfs/dbraw/zinc/60/44/37/430604437.db2.gz VCQTTYUKCQZEIU-NUEKZKHPSA-N 2 0 309.404 2.793 20 0 DFADRP CC(C)[N@@H+]1CC[C@H](CN[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C)C1 ZINC000571127470 430604532 /nfs/dbraw/zinc/60/45/32/430604532.db2.gz XMJRSBRMLNWYDZ-RLLQIKCJSA-N 2 0 315.505 2.827 20 0 DFADRP CCN(CC)C(=O)c1ccc(C[NH2+][C@@H](C)[C@H]2CCC[NH2+]C2)cc1 ZINC000643459044 430604472 /nfs/dbraw/zinc/60/44/72/430604472.db2.gz VXAIHVZBABPCQF-YJBOKZPZSA-N 2 0 317.477 2.646 20 0 DFADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+][C@@H]1CCN(c2ccc(F)cc2F)C1 ZINC000643462705 430604559 /nfs/dbraw/zinc/60/45/59/430604559.db2.gz BLEDJBFXAOOBEP-XNRPHZJLSA-N 2 0 309.404 2.521 20 0 DFADRP C[C@H](C[C@@H]1CCOC1)[NH2+][C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000643462039 430604636 /nfs/dbraw/zinc/60/46/36/430604636.db2.gz ZXXRAWFZVZJWAC-YEWFCNIMSA-N 2 0 316.445 2.647 20 0 DFADRP FC(F)(F)[C@@H]1CC([NH2+][C@@H]2CC[NH2+]C2)C[C@@H](C(F)(F)F)C1 ZINC000643458704 430604774 /nfs/dbraw/zinc/60/47/74/430604774.db2.gz RRNWXOURPJGJEA-XHNCKOQMSA-N 2 0 304.278 2.847 20 0 DFADRP CCOC1CC(C[NH2+]CC2CC[NH+](Cc3ccncc3)CC2)C1 ZINC000639311946 430606712 /nfs/dbraw/zinc/60/67/12/430606712.db2.gz RGMXIVCBJNUQLR-UHFFFAOYSA-N 2 0 317.477 2.698 20 0 DFADRP CC(C)[C@H](C[NH2+][C@@H](Cc1ccccc1)[C@H](C)[NH3+])c1ccnn1C ZINC000643484274 430606823 /nfs/dbraw/zinc/60/68/23/430606823.db2.gz MTSGBZWQMWFETE-SZMVWBNQSA-N 2 0 314.477 2.708 20 0 DFADRP CCC[C@@H]([NH2+][C@@H]1CCC(=O)N[C@H]1c1cncn1C)[C@H]1CC1(C)C ZINC000571178764 430610971 /nfs/dbraw/zinc/61/09/71/430610971.db2.gz OTYNQCKNQOFBKZ-VMUDFCTBSA-N 2 0 318.465 2.544 20 0 DFADRP COc1cc(C[C@H](C)[NH2+]CC2CC[NH+](CC3CC3)CC2)ccn1 ZINC000639334465 430612239 /nfs/dbraw/zinc/61/22/39/430612239.db2.gz DDHHEGZXCUDYPD-HNNXBMFYSA-N 2 0 317.477 2.733 20 0 DFADRP C[C@H]([NH2+]Cc1ccc2c(c1)C[NH2+]C2)c1ccc2[nH]c(=O)oc2c1 ZINC000643523813 430612540 /nfs/dbraw/zinc/61/25/40/430612540.db2.gz VJOQLCYPWKPTOM-NSHDSACASA-N 2 0 309.369 2.987 20 0 DFADRP C[C@@H]([NH2+][C@@H]1CCC[NH2+]CC1)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000643522388 430612856 /nfs/dbraw/zinc/61/28/56/430612856.db2.gz MJHRRBRFRAXTIR-TZMCWYRMSA-N 2 0 301.434 2.709 20 0 DFADRP COc1ccc([C@H](C)[C@H](C)[NH2+][C@@H]2CC23CC[NH2+]CC3)cc1OC ZINC000643535733 430614078 /nfs/dbraw/zinc/61/40/78/430614078.db2.gz ICSVGRPBVOLVTM-QWQRMKEZSA-N 2 0 318.461 2.928 20 0 DFADRP CC(C)[C@H](COCc1ccccc1)[NH2+][C@@H]1CC12CC[NH2+]CC2 ZINC000643536315 430614529 /nfs/dbraw/zinc/61/45/29/430614529.db2.gz STZATZKYGMFTEU-ZWKOTPCHSA-N 2 0 302.462 2.960 20 0 DFADRP c1c2c(nn1-c1ccccc1)CCC[C@H]2[NH2+][C@@H]1CC12CC[NH2+]CC2 ZINC000643536664 430614807 /nfs/dbraw/zinc/61/48/07/430614807.db2.gz UJKAUXKJCDRVLY-IEBWSBKVSA-N 2 0 322.456 2.981 20 0 DFADRP C[C@@H]1[C@@H]([NH2+][C@@H]2CC23CC[NH2+]CC3)CCCN1Cc1ccccc1 ZINC000643536449 430615026 /nfs/dbraw/zinc/61/50/26/430615026.db2.gz QYNCZRAAJPDMFE-NZSAHSFTSA-N 2 0 313.489 2.771 20 0 DFADRP CC1(C)[C@H]([NH2+][C@@H]2CC23CC[NH2+]CC3)C[C@H]1Oc1ccccc1 ZINC000643535563 430615113 /nfs/dbraw/zinc/61/51/13/430615113.db2.gz GWHJBOVIBURBQL-BRWVUGGUSA-N 2 0 300.446 2.964 20 0 DFADRP C[C@H]([NH2+][C@H]1CC[NH2+]C2(CCC2)C1)c1ccc(-n2cncn2)cc1 ZINC000643545890 430616159 /nfs/dbraw/zinc/61/61/59/430616159.db2.gz DXIJZQMCKNFYGS-HOCLYGCPSA-N 2 0 311.433 2.593 20 0 DFADRP Cc1cccc(NC(=O)C[C@@H](C)[NH2+][C@@H]2CC[NH2+]C3(CCC3)C2)c1 ZINC000643546850 430616221 /nfs/dbraw/zinc/61/62/21/430616221.db2.gz VWHSGNCDPRQBMS-NVXWUHKLSA-N 2 0 315.461 2.976 20 0 DFADRP CC(=O)Nc1ccc([C@H](C)[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000643549102 430616248 /nfs/dbraw/zinc/61/62/48/430616248.db2.gz AWPVSMGLDNFGJB-LMWIJYBJSA-N 2 0 301.434 2.684 20 0 DFADRP O[C@@H]1CCN([C@@H]2CCC[C@@H]2[NH2+][C@@H]2CC[C@H](c3ccccc3)C2)C1 ZINC000639370610 430622993 /nfs/dbraw/zinc/62/29/93/430622993.db2.gz DAZYBFHXPLSMFW-MFKWGIFDSA-N 2 0 314.473 2.900 20 0 DFADRP C[C@H](CCc1cccc(F)c1)[NH2+][C@@H]1CCC[C@@H]1N1CC[C@@H](O)C1 ZINC000639371496 430623025 /nfs/dbraw/zinc/62/30/25/430623025.db2.gz SPFREKAQYUMMOE-AXUOBQJMSA-N 2 0 320.452 2.724 20 0 DFADRP C[C@@H]1[C@H]([NH2+][C@@H]2CCC[C@@H]2N2CC[C@@H](O)C2)C[C@@H]1c1ccccc1 ZINC000639373770 430624859 /nfs/dbraw/zinc/62/48/59/430624859.db2.gz UTLMQVYUXJKKIE-OOKRNFQXSA-N 2 0 314.473 2.756 20 0 DFADRP CC(C)[C@H](CO)C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000554096969 430628741 /nfs/dbraw/zinc/62/87/41/430628741.db2.gz SXQKNAXRBNLPNY-NEWSRXKRSA-N 2 0 304.478 2.751 20 0 DFADRP C[C@@H]1CCCC[N@@H+]1CCCNC(=O)CC[C@@H]1CCCC[NH+]1C ZINC000554213600 430630636 /nfs/dbraw/zinc/63/06/36/430630636.db2.gz DRXZLOFZBHJQFG-SJORKVTESA-N 2 0 309.498 2.632 20 0 DFADRP C[NH+](C)C1(CNC(=O)[C@@H]2C[C@@H]3CCCC[C@H]3[NH2+]2)CCCCCC1 ZINC000554300931 430631611 /nfs/dbraw/zinc/63/16/11/430631611.db2.gz OPSAXOXQYVOLLD-BBWFWOEESA-N 2 0 321.509 2.678 20 0 DFADRP C[NH+](C)C1(CNC(=O)[C@@H]2C[C@H]3CCCC[C@@H]3[NH2+]2)CCCCCC1 ZINC000554300932 430632476 /nfs/dbraw/zinc/63/24/76/430632476.db2.gz OPSAXOXQYVOLLD-IKGGRYGDSA-N 2 0 321.509 2.678 20 0 DFADRP C[C@H](c1ccccc1)[C@@H](O)C[NH2+]CC1(C[NH+](C)C)CCCC1 ZINC000571517056 430632832 /nfs/dbraw/zinc/63/28/32/430632832.db2.gz BBTRERRUUPLKSW-AEFFLSMTSA-N 2 0 304.478 2.863 20 0 DFADRP CC(C)C(=O)Nc1ccc(C[NH2+][C@@H](C)[C@@H]2CCC[NH2+]C2)cc1 ZINC000571514379 430633371 /nfs/dbraw/zinc/63/33/71/430633371.db2.gz YYCOOFILMAIEOD-GOEBONIOSA-N 2 0 303.450 2.759 20 0 DFADRP C[NH+]1CCN(C[C@H]([NH2+][C@H]2CC[C@H]2C2CC2)c2ccccc2)CC1 ZINC000554360862 430634067 /nfs/dbraw/zinc/63/40/67/430634067.db2.gz MWQWZNOWXXDEMJ-UFYCRDLUSA-N 2 0 313.489 2.753 20 0 DFADRP C[NH+]1CCN(C[C@H]([NH2+][C@@H]2CC[C@@H]2C2CC2)c2ccccc2)CC1 ZINC000554360861 430634183 /nfs/dbraw/zinc/63/41/83/430634183.db2.gz MWQWZNOWXXDEMJ-AQNXPRMDSA-N 2 0 313.489 2.753 20 0 DFADRP Cc1cnccc1C[NH+]1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000571611783 430640030 /nfs/dbraw/zinc/64/00/30/430640030.db2.gz NZPOJJICYUAZNA-UHFFFAOYSA-N 2 0 317.477 2.714 20 0 DFADRP CCn1c2ccccc2nc1CN(C)[C@@H]1CC[N@H+](C)C[C@@H]1C ZINC000571689924 430645416 /nfs/dbraw/zinc/64/54/16/430645416.db2.gz XSHRAFWQVHQSJI-GOEBONIOSA-N 2 0 300.450 2.828 20 0 DFADRP C[C@H]([NH2+]C[C@@H](c1ccccc1)C(C)(C)CO)[C@@H]1CCC[NH2+]C1 ZINC000572111564 430671895 /nfs/dbraw/zinc/67/18/95/430671895.db2.gz DPBJGGJGRJACFD-JQHSSLGASA-N 2 0 304.478 2.766 20 0 DFADRP COc1cccc(N2CC[C@H](C[NH2+][C@@H]3CCCCC[C@@H]3[NH3+])C2)c1 ZINC000572111623 430672063 /nfs/dbraw/zinc/67/20/63/430672063.db2.gz MSDDEFMLQWJCDE-AYOQOUSVSA-N 2 0 317.477 2.771 20 0 DFADRP C[C@@H](NC(=O)[C@@H](C)N1CCC[C@H]([NH+](C)C)CC1)c1ccccc1 ZINC000639613753 430681981 /nfs/dbraw/zinc/68/19/81/430681981.db2.gz WAEJITYEYNYLBF-NUJGCVRESA-N 2 0 317.477 2.668 20 0 DFADRP C[C@@H](NC(=O)[C@@H](C)N1CCC[C@@H]([NH+](C)C)CC1)c1ccccc1 ZINC000639613752 430682000 /nfs/dbraw/zinc/68/20/00/430682000.db2.gz WAEJITYEYNYLBF-JFIYKMOQSA-N 2 0 317.477 2.668 20 0 DFADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)[N@@H+]1CCC[C@@H](CC(C)(C)C(N)=O)C1 ZINC000572392069 430685667 /nfs/dbraw/zinc/68/56/67/430685667.db2.gz HKGAZYYLNKCIIJ-IKGGRYGDSA-N 2 0 323.525 2.911 20 0 DFADRP C[C@H](C(=O)N1CCCCCC1)[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000194738556 278137717 /nfs/dbraw/zinc/13/77/17/278137717.db2.gz AERPNHHTRYXLGE-QGZVFWFLSA-N 2 0 321.509 2.585 20 0 DFADRP c1c(C[NH2+][C@@H]2CCOC[C@H]2[C@H]2CCC[NH2+]2)sc2c1CCCC2 ZINC000572593263 430691427 /nfs/dbraw/zinc/69/14/27/430691427.db2.gz AATAHTVVQHXHRQ-GVDBMIGSSA-N 2 0 320.502 2.874 20 0 DFADRP C[C@H](Cc1ccc(Br)cc1)[NH2+][C@@H]1CC[NH2+]C[C@H]1C ZINC000261584738 278219531 /nfs/dbraw/zinc/21/95/31/278219531.db2.gz SOOWNLMSKUIZPI-LALPHHSUSA-N 2 0 311.267 2.968 20 0 DFADRP C[C@@H](CCNC(=O)CC[C@H]1CCC[NH2+]1)[N@H+](C)Cc1ccccc1 ZINC000292027389 278232461 /nfs/dbraw/zinc/23/24/61/278232461.db2.gz GIANHBNBZSKTTE-FUHWJXTLSA-N 2 0 317.477 2.545 20 0 DFADRP CC(C)(C[NH2+][C@H]1CCC[C@@H]([NH3+])C1)c1ccc2c(c1)OCCO2 ZINC000572662480 430694468 /nfs/dbraw/zinc/69/44/68/430694468.db2.gz NSMAZHVIQNZDRL-CABCVRRESA-N 2 0 304.434 2.595 20 0 DFADRP C[C@@H](C[NH2+][C@H]1CC(C)(C)Cc2occc21)N1CC[NH+](C)CC1 ZINC000127468584 278286292 /nfs/dbraw/zinc/28/62/92/278286292.db2.gz OLFXFCBMOMTBEV-HOCLYGCPSA-N 2 0 305.466 2.519 20 0 DFADRP CC(C)(C(=O)N[C@H]1CC[NH2+]C2(CCC2)C1)[C@H]([NH3+])c1ccccc1 ZINC000648187452 430704249 /nfs/dbraw/zinc/70/42/49/430704249.db2.gz QJDVIOGTIUFJDZ-JKSUJKDBSA-N 2 0 315.461 2.504 20 0 DFADRP C[NH+]1CCN(C(C)(C)C[NH2+]Cc2ccc3c(c2)CCCC3)CC1 ZINC000644373362 430725503 /nfs/dbraw/zinc/72/55/03/430725503.db2.gz GNKPRCKNZXWIQW-UHFFFAOYSA-N 2 0 315.505 2.681 20 0 DFADRP CC(C)CCn1cccc1C[NH2+]C1CCN([C@H]2CCOC2)CC1 ZINC000657751881 430726208 /nfs/dbraw/zinc/72/62/08/430726208.db2.gz VEIQNKRJBFPVJR-IBGZPJMESA-N 2 0 319.493 2.877 20 0 DFADRP COc1ccc([C@H](C)C[NH2+]C2CCN([C@H]3CCOC3)CC2)cc1 ZINC000657753607 430726285 /nfs/dbraw/zinc/72/62/85/430726285.db2.gz YGFPIBADAHNLLL-QAPCUYQASA-N 2 0 318.461 2.642 20 0 DFADRP Fc1ccc(/C=C\C[NH2+]C2CCN([C@@H]3CCOC3)CC2)c(F)c1 ZINC000657751205 430726648 /nfs/dbraw/zinc/72/66/48/430726648.db2.gz HBCLPTYBNKOOAH-NLVOMGJBSA-N 2 0 322.399 2.821 20 0 DFADRP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+][C@H](c1ccccc1)[C@@H](C)O ZINC000657814285 430743666 /nfs/dbraw/zinc/74/36/66/430743666.db2.gz BYRAFVVDXRYAHL-BEFAXECRSA-N 2 0 322.412 2.787 20 0 DFADRP c1ccc(N2CC[C@H]([NH2+]CC3CC[NH+](CC4CC4)CC3)C2)cc1 ZINC000657812889 430744271 /nfs/dbraw/zinc/74/42/71/430744271.db2.gz JWGRVLXEFWRBJX-IBGZPJMESA-N 2 0 313.489 2.977 20 0 DFADRP Cc1c(F)cccc1NC(=O)CC[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000644524135 430744370 /nfs/dbraw/zinc/74/43/70/430744370.db2.gz VVPFIWCDBHKBHG-LSDHHAIUSA-N 2 0 319.424 2.679 20 0 DFADRP CCN1CC[NH+](CCCC[NH2+][C@H](C)C(C)(C)C(F)F)CC1 ZINC000657833700 430747621 /nfs/dbraw/zinc/74/76/21/430747621.db2.gz BRWOHAXWZFDIJD-CQSZACIVSA-N 2 0 305.457 2.674 20 0 DFADRP CC[NH+]1CCN(CCC[NH2+][C@@H](C)c2cc3cnccc3o2)CC1 ZINC000657832303 430748151 /nfs/dbraw/zinc/74/81/51/430748151.db2.gz BZQITJMGCQITQP-HNNXBMFYSA-N 2 0 316.449 2.506 20 0 DFADRP COC[C@H](CC1CCOCC1)[NH2+][C@@H](CC[NH+](C)C)C(C)(C)C ZINC000657886146 430760980 /nfs/dbraw/zinc/76/09/80/430760980.db2.gz HKWDIPFJKRMSDP-IRXDYDNUSA-N 2 0 314.514 2.774 20 0 DFADRP CC(C)[NH+]1CCC(O)(C[NH2+][C@@H](C)c2cc3cnccc3o2)CC1 ZINC000657907249 430764718 /nfs/dbraw/zinc/76/47/18/430764718.db2.gz HNXYHSFVGSAAQI-AWEZNQCLSA-N 2 0 317.433 2.714 20 0 DFADRP CN(Cc1ccccc1)C[C@H](O)C[NH2+]CC1(C2CC2)CCC1 ZINC000644606255 430767777 /nfs/dbraw/zinc/76/77/77/430767777.db2.gz VNZIINYESRRUAN-GOSISDBHSA-N 2 0 302.462 2.649 20 0 DFADRP c1ccc2c(c1)CCC[C@@H]([NH2+]CCCC[NH+]1CCOCC1)C2 ZINC000648424398 430783759 /nfs/dbraw/zinc/78/37/59/430783759.db2.gz ACARPBSDADXKAY-LJQANCHMSA-N 2 0 302.462 2.636 20 0 DFADRP CCOC1CCC([NH2+]C2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)CC1 ZINC000657925076 430769170 /nfs/dbraw/zinc/76/91/70/430769170.db2.gz MFVALELIPBSISB-FYOYPEGLSA-N 2 0 324.509 2.692 20 0 DFADRP C[N@@H+](Cc1cccc(C[NH+]2CCCCC2)c1)C[C@H]1COCCO1 ZINC000661612811 430773382 /nfs/dbraw/zinc/77/33/82/430773382.db2.gz CSKIFJLBZLHUPJ-IBGZPJMESA-N 2 0 318.461 2.520 20 0 DFADRP O=C(CC[NH2+]CC1CC[NH+](C2CC2)CC1)Nc1ccccc1F ZINC000644633750 430775500 /nfs/dbraw/zinc/77/55/00/430775500.db2.gz YTWSMFBFYOEDFJ-UHFFFAOYSA-N 2 0 319.424 2.618 20 0 DFADRP CC[C@H]1C[C@H]([NH2+]Cc2ccccc2CN2CCOCC2)CCO1 ZINC000648406078 430775630 /nfs/dbraw/zinc/77/56/30/430775630.db2.gz PEXCVUNQVOARIS-MOPGFXCFSA-N 2 0 318.461 2.566 20 0 DFADRP C[C@@H]([NH2+][C@@H](C)CN(C)CCC[NH+](C)C)c1ccccc1N(C)C ZINC000658107659 430813003 /nfs/dbraw/zinc/81/30/03/430813003.db2.gz MSOKHWIUWIZDAF-DLBZAZTESA-N 2 0 320.525 2.675 20 0 DFADRP C[N@@H+]1CC[C@H]([NH2+]Cc2cccnc2N2CCCC2)[C@@H]2CCC[C@H]21 ZINC000658105367 430813185 /nfs/dbraw/zinc/81/31/85/430813185.db2.gz IFDIOBKBXBHTFJ-OKZBNKHCSA-N 2 0 314.477 2.644 20 0 DFADRP C[C@@H]([NH2+][C@@H](C)CN(C)CCC[NH+](C)C)c1cc2cnccc2o1 ZINC000658106240 430813521 /nfs/dbraw/zinc/81/35/21/430813521.db2.gz GRXCSCFJNXRMTG-LSDHHAIUSA-N 2 0 318.465 2.750 20 0 DFADRP COc1cccc([C@H](C)[NH2+][C@@H](C)CN(C)CCC[NH+](C)C)c1 ZINC000658110480 430814443 /nfs/dbraw/zinc/81/44/43/430814443.db2.gz XVLDJRVNJLBTJY-HOTGVXAUSA-N 2 0 307.482 2.618 20 0 DFADRP C[C@@H](CCC1CC1)[NH2+]Cc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1 ZINC000658135962 430821464 /nfs/dbraw/zinc/82/14/64/430821464.db2.gz FXTBNZGOGBGGMH-KXBFYZLASA-N 2 0 302.462 2.922 20 0 DFADRP CO[C@](C)(C[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1)COCc1ccccc1 ZINC000658133380 430821658 /nfs/dbraw/zinc/82/16/58/430821658.db2.gz QNOWWNFDVPOYCN-QXAKKESOSA-N 2 0 320.477 2.681 20 0 DFADRP O[C@@H]1CC[N@H+](Cc2ccc(C[NH2+][C@@H]3CCC[C@H]4C[C@H]43)cc2)C1 ZINC000658137153 430824171 /nfs/dbraw/zinc/82/41/71/430824171.db2.gz JBPZBOJLFPTPRG-WJFTUGDTSA-N 2 0 300.446 2.531 20 0 DFADRP Cc1cc(C[N@@H+](C)[C@H]2CCN(C3CC[NH+](C)CC3)C2)cs1 ZINC000648586034 430830182 /nfs/dbraw/zinc/83/01/82/430830182.db2.gz WNMNVQVFNXWJFM-KRWDZBQOSA-N 2 0 307.507 2.657 20 0 DFADRP C[C@H]([NH2+]CC1CC[NH+](Cc2ccncc2)CC1)[C@@H]1CCCOC1 ZINC000658167293 430833616 /nfs/dbraw/zinc/83/36/16/430833616.db2.gz RKIBHPIWQWNYJW-QFBILLFUSA-N 2 0 317.477 2.698 20 0 DFADRP C[NH+](C)CCCOc1cnccc1C[NH2+][C@H]1CCCSCC1 ZINC000658014486 430787799 /nfs/dbraw/zinc/78/77/99/430787799.db2.gz VOGWYTYBUYAYBV-INIZCTEOSA-N 2 0 323.506 2.787 20 0 DFADRP C[N@H+](CCc1ccccc1)[C@H]1CCN(CC[C@H]2CCC[NH+]2C)C1 ZINC000661649924 430790825 /nfs/dbraw/zinc/79/08/25/430790825.db2.gz QVUFWLQMYWLHPD-UXHICEINSA-N 2 0 315.505 2.720 20 0 DFADRP OC[C@H]1CCC[N@@H+]1CCCC[NH2+][C@@H]1CCCc2ccccc2C1 ZINC000648454329 430792696 /nfs/dbraw/zinc/79/26/96/430792696.db2.gz COOCNHGWYNVRKU-WOJBJXKFSA-N 2 0 316.489 2.761 20 0 DFADRP C[C@@H]([NH2+][C@H]1COC(C)(C)C1)c1cccc(OCC[NH+](C)C)c1 ZINC000658058026 430795776 /nfs/dbraw/zinc/79/57/76/430795776.db2.gz LCZZZWBLBFJWAJ-GDBMZVCRSA-N 2 0 306.450 2.845 20 0 DFADRP C[C@H]([NH2+][C@@H]1COC(C)(C)C1)c1ccc(OCC[NH+](C)C)cc1 ZINC000658057937 430796646 /nfs/dbraw/zinc/79/66/46/430796646.db2.gz KDRGQWZZYBEFHA-HOCLYGCPSA-N 2 0 306.450 2.845 20 0 DFADRP CCO[C@H]1C[C@@H]([NH2+]CC2CC[NH+](C3CCOCC3)CC2)C1(C)C ZINC000658066923 430797255 /nfs/dbraw/zinc/79/72/55/430797255.db2.gz GXUUJZLSDCLLNY-MSOLQXFVSA-N 2 0 324.509 2.671 20 0 DFADRP Cc1cc([C@H](C)[NH2+]CC2CC[NH+](C3CCOCC3)CC2)no1 ZINC000658070829 430797519 /nfs/dbraw/zinc/79/75/19/430797519.db2.gz RPYMHIFRQNBHEQ-AWEZNQCLSA-N 2 0 307.438 2.525 20 0 DFADRP Cc1ccncc1[C@H](C)[NH2+]CC1CC[NH+](C2CCOCC2)CC1 ZINC000658067654 430798258 /nfs/dbraw/zinc/79/82/58/430798258.db2.gz OTGBJBZARABFDZ-INIZCTEOSA-N 2 0 317.477 2.932 20 0 DFADRP C[C@@H](Cc1ccccc1)[NH+]1CCC([NH2+][C@H](CO)CC2CC2)CC1 ZINC000648485961 430804187 /nfs/dbraw/zinc/80/41/87/430804187.db2.gz QGWUEZSUXPBSER-JXFKEZNVSA-N 2 0 316.489 2.833 20 0 DFADRP OC[C@H]([NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)C1CCC1 ZINC000658089047 430806041 /nfs/dbraw/zinc/80/60/41/430806041.db2.gz WTZHGCXTLDHBIO-YRPNKDGESA-N 2 0 314.473 2.933 20 0 DFADRP CC[NH+]1CCN(CCC[NH2+][C@H]2CCCc3ccccc3C2)CC1 ZINC000648496094 430807483 /nfs/dbraw/zinc/80/74/83/430807483.db2.gz MABPBCUMRSYWRX-FQEVSTJZSA-N 2 0 315.505 2.551 20 0 DFADRP Cc1ccc(C[C@@H](CO)[NH2+][C@H](C)C2CC[NH+](C)CC2)cc1C ZINC000651496704 430809911 /nfs/dbraw/zinc/80/99/11/430809911.db2.gz DQBIRJKYDZFZHC-APWZRJJASA-N 2 0 304.478 2.527 20 0 DFADRP CC[C@@]1(C)CCC[C@@H]1[NH2+]Cc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000651673574 430846125 /nfs/dbraw/zinc/84/61/25/430846125.db2.gz PEACFPWXOOIYNA-HKUYNNGSSA-N 2 0 316.493 2.892 20 0 DFADRP [NH3+][C@@H]1CCC[C@H]([NH2+]Cc2cccc(COC[C@H]3CCCO3)c2)C1 ZINC000665294636 430888824 /nfs/dbraw/zinc/88/88/24/430888824.db2.gz SLKJKLVWIYTXOX-CEXWTWQISA-N 2 0 318.461 2.742 20 0 DFADRP [NH3+][C@@H]1CCC[C@H]([NH2+]Cc2cccc(COC[C@@H]3CCCO3)c2)C1 ZINC000665294639 430889025 /nfs/dbraw/zinc/88/90/25/430889025.db2.gz SLKJKLVWIYTXOX-QYZOEREBSA-N 2 0 318.461 2.742 20 0 DFADRP COC[C@@H](CC(C)(C)C)[NH2+]C1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000651719627 430858065 /nfs/dbraw/zinc/85/80/65/430858065.db2.gz ZSHFLBADLLWJBA-DOTOQJQBSA-N 2 0 312.498 2.528 20 0 DFADRP Nc1cccc(C[NH2+][C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)c1 ZINC000665232197 430861925 /nfs/dbraw/zinc/86/19/25/430861925.db2.gz HUQXLUZGQUDGBF-MJGOQNOKSA-N 2 0 309.413 2.614 20 0 DFADRP CC(C)(C)[N@@H+]1CC[C@H](N[C@H]2CC[NH2+][C@H](c3ccccc3)C2)C1 ZINC000665236594 430863495 /nfs/dbraw/zinc/86/34/95/430863495.db2.gz QJONQZHZQNLTNK-BZSNNMDCSA-N 2 0 301.478 2.942 20 0 DFADRP CC(C)(C)[N@@H+]1CC[C@H](N[C@@H]2CC[NH2+][C@@H](c3ccccc3)C2)C1 ZINC000665236595 430864123 /nfs/dbraw/zinc/86/41/23/430864123.db2.gz QJONQZHZQNLTNK-FGTMMUONSA-N 2 0 301.478 2.942 20 0 DFADRP Cc1ccc(CC[NH2+][C@@H]2CCOC[C@H]2[C@H]2CCC[NH2+]2)cc1C ZINC000665245237 430865970 /nfs/dbraw/zinc/86/59/70/430865970.db2.gz CILPUGDWXKJZLD-IPMKNSEASA-N 2 0 302.462 2.593 20 0 DFADRP Cc1ccncc1CC[NH2+][C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000665239816 430866414 /nfs/dbraw/zinc/86/64/14/430866414.db2.gz ZXUYYTQLMQLSFA-ICSRJNTNSA-N 2 0 323.440 2.778 20 0 DFADRP C[C@@H](NCC1([NH3+])CCCC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000665247893 430868208 /nfs/dbraw/zinc/86/82/08/430868208.db2.gz LKFGEAISUVVXQD-AEFFLSMTSA-N 2 0 301.478 2.758 20 0 DFADRP COCc1csc(C[NH2+][C@@H](C)c2ccc(C[NH3+])nc2C)c1 ZINC000665263644 430875718 /nfs/dbraw/zinc/87/57/18/430875718.db2.gz QWCCPTNXYUANLN-NSHDSACASA-N 2 0 305.447 2.907 20 0 DFADRP C[C@H]([NH3+])[C@H](Cc1ccccc1)N[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000665266786 430876192 /nfs/dbraw/zinc/87/61/92/430876192.db2.gz JRWZTLGBXCAIBV-QRFRQXIXSA-N 2 0 315.505 2.942 20 0 DFADRP c1ccc2c(CC[NH2+][C@@H]3CC[C@@H]4C[NH2+]C[C@H]4C3)nsc2c1 ZINC000665275756 430879391 /nfs/dbraw/zinc/87/93/91/430879391.db2.gz QYGPWQYMCLCPES-MGPQQGTHSA-N 2 0 301.459 2.817 20 0 DFADRP C[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CCN2Cc2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000658349383 430883218 /nfs/dbraw/zinc/88/32/18/430883218.db2.gz SVZPXQYWQNXAJT-MUGJNUQGSA-N 2 0 313.489 2.723 20 0 DFADRP Cn1cc2c(n1)CCC[C@H]2[NH2+]CC1CC[NH+](CC2CC2)CC1 ZINC000658354089 430883774 /nfs/dbraw/zinc/88/37/74/430883774.db2.gz WSELAOLEVKNWBD-QGZVFWFLSA-N 2 0 302.466 2.509 20 0 DFADRP CC(C)(C)[C@@H]1CCC[C@H]([NH2+]Cc2nc(C[NH3+])cc(=O)[nH]2)CC1 ZINC000665291674 430887016 /nfs/dbraw/zinc/88/70/16/430887016.db2.gz HSEJDJSXFDAXFE-OLZOCXBDSA-N 2 0 306.454 2.726 20 0 DFADRP C[NH2+]CCCC(=O)N1CCC([NH2+][C@H]2CCCC[C@@H]2C(C)C)CC1 ZINC000665287564 430887251 /nfs/dbraw/zinc/88/72/51/430887251.db2.gz OPBKYDQVVNZQSS-MSOLQXFVSA-N 2 0 323.525 2.781 20 0 DFADRP CCC[C@H]([NH2+]C1CCN(C(=O)CCC[NH2+]C)CC1)C1CCCC1 ZINC000665289830 430887510 /nfs/dbraw/zinc/88/75/10/430887510.db2.gz YFLLPOGWVRTAOT-SFHVURJKSA-N 2 0 323.525 2.926 20 0 DFADRP C[C@@H]([NH2+]Cc1nc(C[NH3+])cc(=O)[nH]1)[C@H](C)c1ccc(Cl)cc1 ZINC000665292487 430888489 /nfs/dbraw/zinc/88/84/89/430888489.db2.gz AVJWMGKCAKMCAG-WDEREUQCSA-N 2 0 320.824 2.576 20 0 DFADRP CCC[C@H](CCc1ccccc1)[NH2+]Cc1nc(C[NH3+])cc(=O)[nH]1 ZINC000665292230 430888622 /nfs/dbraw/zinc/88/86/22/430888622.db2.gz WOJGLEAXLKZNJA-OAHLLOKOSA-N 2 0 314.433 2.532 20 0 DFADRP C[C@H](C[C@H](C)[NH3+])[NH2+]Cc1cccc(COC[C@@H]2CCCO2)c1 ZINC000665294194 430888757 /nfs/dbraw/zinc/88/87/57/430888757.db2.gz JYVBQVLMEGZQBC-DAYGRLMNSA-N 2 0 306.450 2.598 20 0 DFADRP C[C@H]([NH3+])[C@H](Cc1ccccc1)NC[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000665299837 430891042 /nfs/dbraw/zinc/89/10/42/430891042.db2.gz UHHMQODAKORSBP-DBVUQKKJSA-N 2 0 315.505 2.657 20 0 DFADRP C([NH2+][C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1)[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000665299635 430891152 /nfs/dbraw/zinc/89/11/52/430891152.db2.gz QRPZPNGGUNSYNE-CADBVGFASA-N 3 0 305.510 2.619 20 0 DFADRP c1cc(C[NH+]2CCCCC2)ccc1C[N@@H+]1CCC2(COC2)C1 ZINC000662073381 430948960 /nfs/dbraw/zinc/94/89/60/430948960.db2.gz MZLRIHSGHGILTL-UHFFFAOYSA-N 2 0 300.446 2.895 20 0 DFADRP C[C@H]([NH3+])[C@H](C)C(=O)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000645157961 430918181 /nfs/dbraw/zinc/91/81/81/430918181.db2.gz YWLOMKODKCVCIE-XEZPLFJOSA-N 2 0 323.868 2.576 20 0 DFADRP C[C@H]([NH3+])[C@H](C)C(=O)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000645157957 430918288 /nfs/dbraw/zinc/91/82/88/430918288.db2.gz YWLOMKODKCVCIE-HEHGZKQESA-N 2 0 323.868 2.576 20 0 DFADRP CCc1nccn1[C@H](C)CC(=O)NC[C@@H]1[N@H+](C)CCCC1(C)C ZINC000648885968 430925653 /nfs/dbraw/zinc/92/56/53/430925653.db2.gz ZDGIULBWFKFMIZ-CABCVRRESA-N 2 0 320.481 2.633 20 0 DFADRP CC(C)[NH2+][C@H]1CCCN(C(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC000648907502 430931862 /nfs/dbraw/zinc/93/18/62/430931862.db2.gz BEFOLZSYAFWRKP-WMZOPIPTSA-N 2 0 321.509 2.773 20 0 DFADRP C[C@@H]1[C@H](C(=O)N(CC[NH+]2CCCCCC2)C2CCC2)CC[N@@H+]1C ZINC000648904764 430932422 /nfs/dbraw/zinc/93/24/22/430932422.db2.gz QWHMDOAGWPIWIP-SJLPKXTDSA-N 2 0 321.509 2.584 20 0 DFADRP Cn1nc(C[NH2+]CCCCC[NH+]2CCCC2)c2ccccc21 ZINC000645199557 430933776 /nfs/dbraw/zinc/93/37/76/430933776.db2.gz QBHUGOILJKNMIN-UHFFFAOYSA-N 2 0 300.450 2.929 20 0 DFADRP OC[C@H](CCF)[NH2+][C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000652020147 430938329 /nfs/dbraw/zinc/93/83/29/430938329.db2.gz MJNZOLLHVRDHGX-CADBVGFASA-N 2 0 320.452 2.597 20 0 DFADRP CC(C)[C@H]([NH3+])CCNC(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C ZINC000659015766 430940116 /nfs/dbraw/zinc/94/01/16/430940116.db2.gz HAIOPCDALDHZTA-SJORKVTESA-N 2 0 318.465 2.730 20 0 DFADRP O[C@@H]1CC[N@@H+](C2CCN(Cc3ccc(C4CCC4)cc3)CC2)C1 ZINC000662152376 430979775 /nfs/dbraw/zinc/97/97/75/430979775.db2.gz SSNLUQRPNCQLPZ-HXUWFJFHSA-N 2 0 314.473 2.985 20 0 DFADRP CC[C@@H]([NH2+]C[C@H](C)C[NH+](C)C)c1cc(OC)c(OC)c(OC)c1 ZINC000652201150 430985303 /nfs/dbraw/zinc/98/53/03/430985303.db2.gz XCCVYNPRVQBFLH-DZGCQCFKSA-N 2 0 324.465 2.951 20 0 DFADRP CCO[C@H]1C[C@H]([NH2+]CCC[N@H+](C)CC(C)C)C12CCOCC2 ZINC000652221906 430991494 /nfs/dbraw/zinc/99/14/94/430991494.db2.gz ACBWZBBADXIMHX-IRXDYDNUSA-N 2 0 312.498 2.528 20 0 DFADRP CC(C)C[N@H+](C)CCC[NH2+][C@H](C)c1ccc(-n2cncn2)cc1 ZINC000652221111 430991564 /nfs/dbraw/zinc/99/15/64/430991564.db2.gz QVRFDRRRHCSCMG-MRXNPFEDSA-N 2 0 315.465 2.896 20 0 DFADRP C[NH+]1CCC(N2CC[C@H]([NH2+][C@H]3CCCC34CCCC4)C2)CC1 ZINC000645408965 430994442 /nfs/dbraw/zinc/99/44/42/430994442.db2.gz MDGBTQPZLZLJJK-WMZOPIPTSA-N 2 0 305.510 2.857 20 0 DFADRP CC[NH+](CC)[C@@H](C)CNC(=O)CC[C@@H]([NH3+])CC1CCCCC1 ZINC000645472764 431011855 /nfs/dbraw/zinc/01/18/55/431011855.db2.gz KTYKRGMNSOYCTA-DOTOQJQBSA-N 2 0 311.514 2.911 20 0 DFADRP C[C@@H]([NH2+][C@@H]1CCO[C@H](c2ccncc2)C1)C1CC[NH+](C)CC1 ZINC000652278314 431009210 /nfs/dbraw/zinc/00/92/10/431009210.db2.gz KPXNLVOHLMVAPQ-OLMNPRSZSA-N 2 0 303.450 2.622 20 0 DFADRP c1ccc(C([NH2+]C[C@@H]2CCC3(C[NH2+]C3)O2)c2ccccc2)cc1 ZINC000662258571 431020369 /nfs/dbraw/zinc/02/03/69/431020369.db2.gz KKIWEKZGHSFAJG-SFHVURJKSA-N 2 0 308.425 2.887 20 0 DFADRP CC[NH+](CC)CC1CC[NH+](Cc2cccc3c2CC[NH2+]C3)CC1 ZINC000662260230 431020422 /nfs/dbraw/zinc/02/04/22/431020422.db2.gz INHYHRHATVCUSN-UHFFFAOYSA-N 3 0 315.505 2.886 20 0 DFADRP c1cc(CN2CCC[C@@H]([NH+]3CCCC3)CC2)c2c(c1)C[NH2+]CC2 ZINC000662263314 431021756 /nfs/dbraw/zinc/02/17/56/431021756.db2.gz LHQZGHGKMADVAG-LJQANCHMSA-N 2 0 313.489 2.783 20 0 DFADRP [NH3+]C[C@@H]1CCCc2ccc(C(=O)Nc3ccc4c(c3)C[NH2+]C4)cc21 ZINC000659313066 431021877 /nfs/dbraw/zinc/02/18/77/431021877.db2.gz LUWGLWYBTCBMRA-HNNXBMFYSA-N 2 0 321.424 2.921 20 0 DFADRP [NH3+][C@@H]1CCC[C@H]2CN(Cc3cc(F)ccc3OC(F)F)C[C@@H]21 ZINC000662264536 431022835 /nfs/dbraw/zinc/02/28/35/431022835.db2.gz DQQMJUBIRGAZDP-LEWSCRJBSA-N 2 0 314.351 2.986 20 0 DFADRP CC(C[NH+](C)CC1=CCSC1)C[N@H+](C)CC1=CCSC1 ZINC000662268176 431023600 /nfs/dbraw/zinc/02/36/00/431023600.db2.gz RPOBFIDDMUZRHG-UHFFFAOYSA-N 2 0 312.548 2.833 20 0 DFADRP COc1ccc(-c2cc(C[N@@H+]3CC[C@@H]([C@@H](C)[NH3+])C3)on2)cc1 ZINC000662267253 431025615 /nfs/dbraw/zinc/02/56/15/431025615.db2.gz TUTRMEXGTFXAOJ-TZMCWYRMSA-N 2 0 301.390 2.519 20 0 DFADRP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCC[N@H+](CCCc3cccc(F)c3)C2)C1 ZINC000652349469 431026735 /nfs/dbraw/zinc/02/67/35/431026735.db2.gz PHLBVHNNUYXTQE-QRQLOZEOSA-N 2 0 320.452 2.977 20 0 DFADRP [NH3+]CC[C@H]1CCC[N@H+](Cc2cc(F)ccc2OC(F)F)C1 ZINC000662271821 431028225 /nfs/dbraw/zinc/02/82/25/431028225.db2.gz JLLIPQZZYDSPJC-LLVKDONJSA-N 2 0 302.340 2.988 20 0 DFADRP COc1ccc([C@@H](C[NH3+])C[NH+]2CCC3(CC3(F)F)CC2)cc1 ZINC000652353238 431029327 /nfs/dbraw/zinc/02/93/27/431029327.db2.gz WEVPAKHOOMXVHL-AWEZNQCLSA-N 2 0 310.388 2.859 20 0 DFADRP OCC1([NH2+]CC2CCC(c3ccccc3)CC2)CC[NH2+]CC1 ZINC000662282543 431031795 /nfs/dbraw/zinc/03/17/95/431031795.db2.gz BTEDNONKNNQYGU-UHFFFAOYSA-N 2 0 302.462 2.665 20 0 DFADRP c1cc(C[NH+]2CCC(C3CCOCC3)CC2)c2c(c1)C[NH2+]CC2 ZINC000662282588 431032184 /nfs/dbraw/zinc/03/21/84/431032184.db2.gz HOAAKZHGDAESME-UHFFFAOYSA-N 2 0 314.473 2.971 20 0 DFADRP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCC[N@@H+]2CCOCc2ccccc2)C1 ZINC000662282559 431032521 /nfs/dbraw/zinc/03/25/21/431032521.db2.gz CGMYFESBKLMAIA-CEXWTWQISA-N 2 0 318.461 2.564 20 0 DFADRP CN(C)c1ccccc1C[N@@H+]1CCCC[C@@H]1[C@@H]1C[C@H]([NH3+])CCO1 ZINC000652363824 431032604 /nfs/dbraw/zinc/03/26/04/431032604.db2.gz OWPPWJMXTUHNPG-QRQLOZEOSA-N 2 0 317.477 2.613 20 0 DFADRP CN(C)c1ccccc1C[N@@H+]1CCCC[C@@H]1[C@H]1C[C@@H]([NH3+])CCO1 ZINC000652363825 431033396 /nfs/dbraw/zinc/03/33/96/431033396.db2.gz OWPPWJMXTUHNPG-QXAKKESOSA-N 2 0 317.477 2.613 20 0 DFADRP FC(F)(F)[C@@H]1CC[N@H+](C[C@H]2CCC3(C[NH2+]C3)O2)CC12CCC2 ZINC000662280826 431033616 /nfs/dbraw/zinc/03/36/16/431033616.db2.gz GCHXACWCUHRCHL-CHWSQXEVSA-N 2 0 318.383 2.562 20 0 DFADRP COc1cccc(SCC[N@@H+]2C[C@@H]3CCC[C@]3(C[NH3+])C2)c1 ZINC000662283851 431033732 /nfs/dbraw/zinc/03/37/32/431033732.db2.gz CZACZYWBJGSCBL-YOEHRIQHSA-N 2 0 306.475 2.848 20 0 DFADRP C[C@@H](c1nc(C2CC2)no1)[N@@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662294666 431034122 /nfs/dbraw/zinc/03/41/22/431034122.db2.gz DNYGORYKYSUBGO-WFASDCNBSA-N 2 0 304.438 2.720 20 0 DFADRP CC[C@H](CC(F)F)C[N@@H+]1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1 ZINC000662286907 431034589 /nfs/dbraw/zinc/03/45/89/431034589.db2.gz TVMSKJIYAQEHNK-LXTVHRRPSA-N 2 0 304.425 2.886 20 0 DFADRP C[C@@H](C(=O)Nc1ccccc1)[NH+]1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000662290395 431035058 /nfs/dbraw/zinc/03/50/58/431035058.db2.gz SPIHAQJOZPGLIL-RDJZCZTQSA-N 2 0 315.461 2.725 20 0 DFADRP Cc1cccc2nc(C[N@@H+]3CCC[C@H](C4CC[NH2+]CC4)C3)cn21 ZINC000662292699 431036420 /nfs/dbraw/zinc/03/64/20/431036420.db2.gz HTEIRLVSKWDFNG-KRWDZBQOSA-N 2 0 312.461 2.854 20 0 DFADRP C[C@@H](C(=O)Nc1ccccc1)[N@@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662295783 431037457 /nfs/dbraw/zinc/03/74/57/431037457.db2.gz UDSPATCBLKRBID-DOTOQJQBSA-N 2 0 315.461 2.725 20 0 DFADRP C[C@H](C(=O)Nc1ccccc1)[N@@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662295784 431038988 /nfs/dbraw/zinc/03/89/88/431038988.db2.gz UDSPATCBLKRBID-NVXWUHKLSA-N 2 0 315.461 2.725 20 0 DFADRP Fc1cccc(F)c1CC[NH+]1CCC(C[NH+]2CCOCC2)CC1 ZINC000645777889 431069682 /nfs/dbraw/zinc/06/96/82/431069682.db2.gz SIERQFWUFHQBCZ-UHFFFAOYSA-N 2 0 324.415 2.552 20 0 DFADRP CC(C)CCc1noc(C[N@@H+]2CCC[C@@H](C)[C@H]2CCC[NH3+])n1 ZINC000662314837 431044799 /nfs/dbraw/zinc/04/47/99/431044799.db2.gz RHBZXUJCQFCUCP-HUUCEWRRSA-N 2 0 308.470 2.998 20 0 DFADRP C[NH+](C)CCC[C@H]1C[N@H+](C[C@H]2CCc3ccccc3C2)CCO1 ZINC000662325876 431046465 /nfs/dbraw/zinc/04/64/65/431046465.db2.gz RWYBDMRUTFLBCU-PXNSSMCTSA-N 2 0 316.489 2.834 20 0 DFADRP CC(C)C[C@H](C[NH3+])CC(=O)NC[C@H](c1cccc(F)c1)[NH+](C)C ZINC000662348631 431055705 /nfs/dbraw/zinc/05/57/05/431055705.db2.gz WQYGYAWDMBSTPG-WMLDXEAASA-N 2 0 323.456 2.556 20 0 DFADRP C[NH+](C)Cc1ccccc1CNC(=O)C[C@H]1[NH2+]Cc2ccccc21 ZINC000662354805 431057272 /nfs/dbraw/zinc/05/72/72/431057272.db2.gz HTTMKXWEIWPYAC-LJQANCHMSA-N 2 0 323.440 2.599 20 0 DFADRP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)CCC(C)(C)[NH3+])C1 ZINC000649311338 431061879 /nfs/dbraw/zinc/06/18/79/431061879.db2.gz IWMCCJDODVHXBF-HZPDHXFCSA-N 2 0 309.498 2.617 20 0 DFADRP CC[NH+](CC)CCN(Cc1ccccc1)C(=O)CCC(C)(C)[NH3+] ZINC000649310087 431062472 /nfs/dbraw/zinc/06/24/72/431062472.db2.gz OVOJNOOMJWOIRT-UHFFFAOYSA-N 2 0 319.493 2.875 20 0 DFADRP CC[NH+](CC)CCN(Cc1ccccc1)C(=O)C[C@H]([NH3+])C(C)C ZINC000649309949 431063418 /nfs/dbraw/zinc/06/34/18/431063418.db2.gz LTFWXSLORQFYCU-SFHVURJKSA-N 2 0 319.493 2.730 20 0 DFADRP C[C@H]([NH2+]C(C)(C)CNC(=O)C1CCC([NH3+])CC1)c1ccccc1 ZINC000649322173 431067481 /nfs/dbraw/zinc/06/74/81/431067481.db2.gz CUDYYGUAMSKDLN-OOHWJJMZSA-N 2 0 317.477 2.750 20 0 DFADRP CC[C@@H]([NH2+]C)C(=O)NCc1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000662386461 431068489 /nfs/dbraw/zinc/06/84/89/431068489.db2.gz AJMSONACXSZWDM-MAUKXSAKSA-N 2 0 317.477 2.533 20 0 DFADRP CC[NH+](CC)Cc1cccc(NC(=O)[C@@H]2C[C@@]23CCC[NH2+]C3)c1 ZINC000655444647 431012996 /nfs/dbraw/zinc/01/29/96/431012996.db2.gz LTSVFRKICXAZMC-PKOBYXMFSA-N 2 0 315.461 2.857 20 0 DFADRP CC[C@@H](C(=O)N[C@@H](C[NH+]1CCCCC1)c1ccccc1)[NH+](C)C ZINC000665724479 431015736 /nfs/dbraw/zinc/01/57/36/431015736.db2.gz CIPFWJQWTQRYPB-ROUUACIJSA-N 2 0 317.477 2.670 20 0 DFADRP COc1ccc2c(c1)C[N@@H+](Cc1cccc3c1CC[NH2+]C3)CC2 ZINC000662252909 431015883 /nfs/dbraw/zinc/01/58/83/431015883.db2.gz DEUZCARARZQRMR-UHFFFAOYSA-N 2 0 308.425 2.899 20 0 DFADRP C[N@H+](CCCOc1cccc(Cl)c1)C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662252000 431016041 /nfs/dbraw/zinc/01/60/41/431016041.db2.gz HRCDNFCNAOUNPV-INIZCTEOSA-N 2 0 324.852 2.562 20 0 DFADRP Cc1ccc(C[C@@H]2CCC[N@H+](C[C@H]3CCC4(C[NH2+]C4)O3)C2)cc1 ZINC000662256149 431016390 /nfs/dbraw/zinc/01/63/90/431016390.db2.gz HDZAXVIJGNBRJS-RBUKOAKNSA-N 2 0 314.473 2.771 20 0 DFADRP CCO[C@@H]1C[C@H]([N@H+](C)C[C@@H]2CCC3(C[NH2+]C3)O2)C12CCCCC2 ZINC000662255723 431017187 /nfs/dbraw/zinc/01/71/87/431017187.db2.gz DPZQMHRLBWTBNX-YESZJQIVSA-N 2 0 322.493 2.567 20 0 DFADRP CCC[N@H+](CCc1cccc(F)c1)C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662254382 431017319 /nfs/dbraw/zinc/01/73/19/431017319.db2.gz HULKHMZHDLAXKK-KRWDZBQOSA-N 2 0 306.425 2.601 20 0 DFADRP C[C@H]1[NH2+]CC[C@@H]1C(=O)Nc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000645502405 431017852 /nfs/dbraw/zinc/01/78/52/431017852.db2.gz GCDVSIIDBOQSNV-RKVPGOIHSA-N 2 0 315.461 2.855 20 0 DFADRP c1ccc(SC[C@@H]2CC[N@H+](C[C@@H]3CCC4(C[NH2+]C4)O3)C2)cc1 ZINC000662256350 431018276 /nfs/dbraw/zinc/01/82/76/431018276.db2.gz IMJLILDXSCJXNX-CVEARBPZSA-N 2 0 318.486 2.622 20 0 DFADRP CCCC[N@@H+](Cc1ccccc1F)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662257401 431018971 /nfs/dbraw/zinc/01/89/71/431018971.db2.gz NTEZPIBYQGCSJC-MRXNPFEDSA-N 2 0 306.425 2.949 20 0 DFADRP Fc1ccc([C@H]([NH2+]C[C@H]2CCC3(C[NH2+]C3)O2)C2CCC2)cc1 ZINC000662259492 431019232 /nfs/dbraw/zinc/01/92/32/431019232.db2.gz YFZBWILPGNUAGH-IAGOWNOFSA-N 2 0 304.409 2.778 20 0 DFADRP Cc1ccc(C[N@H+](C[C@H]2CCC3(C[NH2+]C3)O2)C2CC2)cc1C ZINC000662258131 431019299 /nfs/dbraw/zinc/01/92/99/431019299.db2.gz XFAOSXXIJMGSQC-GOSISDBHSA-N 2 0 300.446 2.789 20 0 DFADRP Cc1ccc(C[NH+](C)C)cc1NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000655752181 431117094 /nfs/dbraw/zinc/11/70/94/431117094.db2.gz NFNPNZWVXAKXMJ-SFHVURJKSA-N 2 0 317.477 2.722 20 0 DFADRP CC[NH+](CC)C[C@H]1CCN(C(=O)[C@@H]([NH3+])c2cccc(Cl)c2)C1 ZINC000649342733 431071571 /nfs/dbraw/zinc/07/15/71/431071571.db2.gz LWCFMGCOCHMERQ-CJNGLKHVSA-N 2 0 323.868 2.530 20 0 DFADRP CCC[C@H]([NH2+][C@H]1CCN(C2CC[NH+](C)CC2)C1)c1cccnc1 ZINC000368330019 278946499 /nfs/dbraw/zinc/94/64/99/278946499.db2.gz VIOBXJIFWIRYCZ-HKUYNNGSSA-N 2 0 316.493 2.681 20 0 DFADRP CC(C)C[N@H+](C)CCCNC(=O)[C@H]1CC[NH+](C2CCCCC2)C1 ZINC000652522273 431080133 /nfs/dbraw/zinc/08/01/33/431080133.db2.gz AYBVMXFYJPHKQN-KRWDZBQOSA-N 2 0 323.525 2.735 20 0 DFADRP CC[C@@H](C)[N@H+](C)CCNC(=O)c1ccc2c(c1)[C@@H](C[NH3+])CCC2 ZINC000662438731 431080885 /nfs/dbraw/zinc/08/08/85/431080885.db2.gz ASMBYTGDYGFNQT-RHSMWYFYSA-N 2 0 317.477 2.525 20 0 DFADRP C[NH+](C)C1(CNC(=O)C[C@H]2[NH2+]Cc3ccccc32)CCCCC1 ZINC000662442323 431082346 /nfs/dbraw/zinc/08/23/46/431082346.db2.gz KRFYWYRSTHROOZ-QGZVFWFLSA-N 2 0 315.461 2.602 20 0 DFADRP CC[NH+]1CCN([C@H](C)C[NH2+][C@@H]2CCc3cc(C)cc(C)c32)CC1 ZINC000655690078 431084742 /nfs/dbraw/zinc/08/47/42/431084742.db2.gz USSKCZVXYYEGCQ-IEBWSBKVSA-N 2 0 315.505 2.906 20 0 DFADRP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)C[C@@H]1[NH2+]Cc2ccccc21 ZINC000662458459 431086565 /nfs/dbraw/zinc/08/65/65/431086565.db2.gz MKWZTHVWMWORHJ-AEFFLSMTSA-N 2 0 315.461 2.602 20 0 DFADRP c1ccc(N2CCC[N@@H+](CCCC3CC[NH2+]CC3)CC2)cc1 ZINC000649411901 431093403 /nfs/dbraw/zinc/09/34/03/431093403.db2.gz QVWNLZKSKDOVSY-UHFFFAOYSA-N 2 0 301.478 2.979 20 0 DFADRP CC[N@@H+]1CC[C@@H](CNCc2cn(-c3ccccc3F)nc2C)C1 ZINC000655712964 431093788 /nfs/dbraw/zinc/09/37/88/431093788.db2.gz WPJIPAYFVVVUGR-HNNXBMFYSA-N 2 0 316.424 2.751 20 0 DFADRP CCN1C[C@H](C[N@H+](C)CC[C@@H]2CCC[NH2+]C2)Oc2ccccc21 ZINC000649411425 431093889 /nfs/dbraw/zinc/09/38/89/431093889.db2.gz WPNHOYXTYUTGBA-IRXDYDNUSA-N 2 0 317.477 2.595 20 0 DFADRP CC[NH+](CC)[C@H](CNC(=O)c1cccc2c1C[NH2+]C2)CC(C)C ZINC000662493722 431097867 /nfs/dbraw/zinc/09/78/67/431097867.db2.gz QASVHJBLSFVAGM-INIZCTEOSA-N 2 0 317.477 2.776 20 0 DFADRP CC[C@@H]([NH2+]C)C(=O)Nc1cccc(CC[NH+]2CCC(C)CC2)c1 ZINC000662509131 431101706 /nfs/dbraw/zinc/10/17/06/431101706.db2.gz BMZOSAYFYAISSK-GOSISDBHSA-N 2 0 317.477 2.898 20 0 DFADRP CN(CC[N@H+](C)C[C@H]1CCc2nccn2C1)Cc1ccccc1 ZINC000649460630 431107737 /nfs/dbraw/zinc/10/77/37/431107737.db2.gz DMTTYYPCKYREBA-GOSISDBHSA-N 2 0 312.461 2.509 20 0 DFADRP C[C@@H]([NH2+]C1(CNC(=O)CCCC[NH3+])CCCC1)c1ccccc1 ZINC000645958876 431129361 /nfs/dbraw/zinc/12/93/61/431129361.db2.gz CZXJLCHRQYHNJK-MRXNPFEDSA-N 2 0 317.477 2.895 20 0 DFADRP CC(C)(C)[N@@H+]1CC[C@@H](CNC(=O)[C@H]([NH3+])CC2CCCCC2)C1 ZINC000662594456 431127591 /nfs/dbraw/zinc/12/75/91/431127591.db2.gz SSXIUSDRKVLYDU-JKSUJKDBSA-N 2 0 309.498 2.521 20 0 DFADRP Cc1nc(C)c([C@H](C)[NH2+]CCCC[N@@H+]2CCC[C@@H]2CO)s1 ZINC000178070645 279079405 /nfs/dbraw/zinc/07/94/05/279079405.db2.gz ZYFHLIZFJYRLBW-SWLSCSKDSA-N 2 0 311.495 2.647 20 0 DFADRP CC[NH+](CC)[C@@H](C(=O)N(C)C1CC[NH+](C)CC1)c1ccccc1 ZINC000264124935 279140069 /nfs/dbraw/zinc/14/00/69/279140069.db2.gz FWPWKBGYHSZEFB-GOSISDBHSA-N 2 0 317.477 2.622 20 0 DFADRP CC(C)C[C@H]([NH2+][C@@H](C)CN1CC[NH+](C)CC1)c1ccccc1 ZINC000361233527 279194526 /nfs/dbraw/zinc/19/45/26/279194526.db2.gz YNXQVCLMRBPYOW-HKUYNNGSSA-N 2 0 303.494 2.999 20 0 DFADRP C[C@H](C(=O)NC[C@@H](c1cccs1)[NH+](C)C)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000249737848 279224489 /nfs/dbraw/zinc/22/44/89/279224489.db2.gz HASIXLBVKBBKJG-BARDWOONSA-N 2 0 323.506 2.728 20 0 DFADRP C[N@@H+]1C[C@@H](CNCc2cc3n(n2)CCCC3)[C@H](c2ccccc2)C1 ZINC000655788222 431138470 /nfs/dbraw/zinc/13/84/70/431138470.db2.gz FJZUPQIHBMIOBT-XLIONFOSSA-N 2 0 324.472 2.654 20 0 DFADRP C[C@H](C[NH2+][C@@H]1CC[C@H](C)c2ccccc21)N1CC[NH+](C)CC1 ZINC000127675492 279350489 /nfs/dbraw/zinc/35/04/89/279350489.db2.gz BQTCSMNLZTUJQW-FRQCXROJSA-N 2 0 301.478 2.851 20 0 DFADRP C[C@H](C[S@@](C)=O)[NH2+]C1CCC([N@H+](C)Cc2ccccc2)CC1 ZINC000286327670 279374457 /nfs/dbraw/zinc/37/44/57/279374457.db2.gz YHBXTONRHIULAN-AAGDERGWSA-N 2 0 322.518 2.786 20 0 DFADRP Cn1cc[nH+]c1NCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000666237870 431163597 /nfs/dbraw/zinc/16/35/97/431163597.db2.gz JXNWZLDABHFCDR-UHFFFAOYSA-N 2 0 300.406 2.507 20 0 DFADRP CO[C@H](C[N@@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1)[C@@H]1CCOC1 ZINC000659878788 431170218 /nfs/dbraw/zinc/17/02/18/431170218.db2.gz QPDWLUBDTLOHJI-IPMKNSEASA-N 2 0 324.509 2.626 20 0 DFADRP CO[C@H](C[N@@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1)[C@@H]1CCOC1 ZINC000659878785 431171219 /nfs/dbraw/zinc/17/12/19/431171219.db2.gz QPDWLUBDTLOHJI-GUDVDZBRSA-N 2 0 324.509 2.626 20 0 DFADRP Cn1c2ccc(Cl)cc2nc1C[NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000655826025 431171391 /nfs/dbraw/zinc/17/13/91/431171391.db2.gz CVGWVMAGZCSKBQ-BJHJDKERSA-N 2 0 306.841 2.657 20 0 DFADRP Cn1cc(C[NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)c(-c2ccc(F)cc2)n1 ZINC000655824749 431172297 /nfs/dbraw/zinc/17/22/97/431172297.db2.gz OLEBOTNJGGKMFB-XFHMXUHZSA-N 2 0 316.424 2.656 20 0 DFADRP Cc1cncc(CC[NH2+][C@@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)n1 ZINC000649583682 431173988 /nfs/dbraw/zinc/17/39/88/431173988.db2.gz WAZDFJOYVOEUMC-HOTGVXAUSA-N 2 0 302.466 2.570 20 0 DFADRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H](C)Cc2ccccn2)[C@@H](C)C1 ZINC000655836211 431177707 /nfs/dbraw/zinc/17/77/07/431177707.db2.gz FXCQXLABKXCEGH-SCTDSRPQSA-N 2 0 319.493 2.739 20 0 DFADRP C[N@H+](CCN1CC[NH+](CCC2CCC2)CC1)Cc1ccccc1 ZINC000659911433 431182350 /nfs/dbraw/zinc/18/23/50/431182350.db2.gz GFNVUDSNFIDKTN-UHFFFAOYSA-N 2 0 315.505 2.926 20 0 DFADRP COc1cccc2c1OCC[C@@H]2[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@@H]21 ZINC000655851597 431186662 /nfs/dbraw/zinc/18/66/62/431186662.db2.gz ZIBPASFQNQGMCM-MXASKKJJSA-N 2 0 316.445 2.981 20 0 DFADRP Cc1ccc(C[NH+]2CC[C@H](C[N@@H+](C)C[C@@H]3CCCO3)C2)s1 ZINC000649604447 431192134 /nfs/dbraw/zinc/19/21/34/431192134.db2.gz FKNMJVLBEJQBTA-CVEARBPZSA-N 2 0 308.491 2.989 20 0 DFADRP C[C@H]1[C@@H]([NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)CCCN1Cc1ccccc1 ZINC000655804413 431154888 /nfs/dbraw/zinc/15/48/88/431154888.db2.gz YKJVNJGNTVHVNK-FFGOWVMKSA-N 2 0 315.505 2.969 20 0 DFADRP C[C@@H]([NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000655805796 431156316 /nfs/dbraw/zinc/15/63/16/431156316.db2.gz SFINXLLBJIGEBD-AFYVEPGGSA-N 3 0 315.505 2.827 20 0 DFADRP CC[NH+](CC)Cc1ccc(CNC(=O)[C@H]2[NH2+]CCC2(C)C)cc1 ZINC000662670162 431157606 /nfs/dbraw/zinc/15/76/06/431157606.db2.gz ULYSHCUIXCKECK-QGZVFWFLSA-N 2 0 317.477 2.533 20 0 DFADRP [NH3+]C1(CC(=O)Nc2ccc(SCC[NH+]3CCCC3)cc2)CC1 ZINC000662831896 431208482 /nfs/dbraw/zinc/20/84/82/431208482.db2.gz SOSBWANRVYBALT-UHFFFAOYSA-N 2 0 319.474 2.694 20 0 DFADRP CC[NH+](CC)CCO[C@H]1CC[N@H+](C[C@H](OC)C2CCCC2)C1 ZINC000659979501 431218765 /nfs/dbraw/zinc/21/87/65/431218765.db2.gz MJWYYNFIWVRMGR-ROUUACIJSA-N 2 0 312.498 2.624 20 0 DFADRP c1cc2c(cc1C[N@@H+]1CCC[C@H](OC3CCC3)C1)C[NH2+]CC2 ZINC000655945937 431225285 /nfs/dbraw/zinc/22/52/85/431225285.db2.gz IBHBJUOBOBBUAW-IBGZPJMESA-N 2 0 300.446 2.866 20 0 DFADRP [NH3+][C@H]1CCCCCC[C@H]1C(=O)NCC1CC[NH+](CC2CC2)CC1 ZINC000662971383 431244440 /nfs/dbraw/zinc/24/44/40/431244440.db2.gz GQRBIAGJEFLEJA-MSOLQXFVSA-N 2 0 321.509 2.522 20 0 DFADRP C[NH+](C)CCOc1ccc(C[NH2+][C@@H]2C[C@H]2c2ccco2)cc1 ZINC000666484060 431248242 /nfs/dbraw/zinc/24/82/42/431248242.db2.gz GMKPSXFGTSGPIY-IAGOWNOFSA-N 2 0 300.402 2.866 20 0 DFADRP [NH3+][C@@H]1CCCCCC[C@@H]1C(=O)NC[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000663000757 431252858 /nfs/dbraw/zinc/25/28/58/431252858.db2.gz MFUNLKMWUIOKHT-FGTMMUONSA-N 2 0 321.509 2.522 20 0 DFADRP O=C(Nc1cccc(CC[NH+]2CCCC2)c1)[C@H]1CCC[NH2+]CC1 ZINC000653150977 431283065 /nfs/dbraw/zinc/28/30/65/431283065.db2.gz SKKMNDHCFQJMHM-KRWDZBQOSA-N 2 0 315.461 2.653 20 0 DFADRP CN(Cc1ccccc1)C[C@@H](O)C[NH+]1CCC2(CC2(F)F)CC1 ZINC000649776836 431285981 /nfs/dbraw/zinc/28/59/81/431285981.db2.gz YYGOXDFEGUAPAI-MRXNPFEDSA-N 2 0 324.415 2.601 20 0 DFADRP O[C@@H]1CCC[C@H]1[NH+]1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000660150327 431291420 /nfs/dbraw/zinc/29/14/20/431291420.db2.gz OXZSKTAILSJVBB-RTBURBONSA-N 2 0 314.473 2.888 20 0 DFADRP CC(C)CNC(=O)CCC[NH+]1CCC(CCC[NH+](C)C)CC1 ZINC000660156459 431293229 /nfs/dbraw/zinc/29/32/29/431293229.db2.gz GHLZZGOKUPBVAL-UHFFFAOYSA-N 2 0 311.514 2.593 20 0 DFADRP [NH3+]C1(CC(=O)N[C@@H](C[NH+]2CCCCC2)c2ccccc2)CCC1 ZINC000646408756 431300100 /nfs/dbraw/zinc/30/01/00/431300100.db2.gz GMKQSXQKMMSFCB-KRWDZBQOSA-N 2 0 315.461 2.601 20 0 DFADRP C[C@@H]1C[C@H](C[NH+]2CCC(C(=O)c3ccc(O)cc3)CC2)CC[NH2+]1 ZINC000666617628 431301179 /nfs/dbraw/zinc/30/11/79/431301179.db2.gz HGKUMCFCCHSKES-HUUCEWRRSA-N 2 0 316.445 2.675 20 0 DFADRP C[C@H]1C[C@H](C[NH+]2CCC(C(=O)c3ccc(O)cc3)CC2)CC[NH2+]1 ZINC000666617629 431301208 /nfs/dbraw/zinc/30/12/08/431301208.db2.gz HGKUMCFCCHSKES-LSDHHAIUSA-N 2 0 316.445 2.675 20 0 DFADRP [NH3+][C@@H]1CCC[C@@H]([NH2+]C[C@@H]2CCN(c3ccc(F)c(F)c3)C2)C1 ZINC000656196029 431302156 /nfs/dbraw/zinc/30/21/56/431302156.db2.gz UHTKTSFOUAEFSB-BFHYXJOUSA-N 2 0 309.404 2.651 20 0 DFADRP CC(C)[NH+]1CCN(c2cccc(N[C@@H]3CCC[C@@H]([NH3+])C3)c2)CC1 ZINC000656197917 431305029 /nfs/dbraw/zinc/30/50/29/431305029.db2.gz DMUIXBZSOLSNIN-IAGOWNOFSA-N 2 0 316.493 2.899 20 0 DFADRP COC[C@H]1CCC[N@@H+]1CC[C@H](C)CC[NH+]1CCC[C@H]1COC ZINC000663065380 431275277 /nfs/dbraw/zinc/27/52/77/431275277.db2.gz CYOJOEFXAYZXQN-BCDXTJNWSA-N 2 0 312.498 2.624 20 0 DFADRP CCOCCC[N@@H+]1CC[C@H](NCc2nc(C)oc2C)[C@H](C)C1 ZINC000660303945 431369326 /nfs/dbraw/zinc/36/93/26/431369326.db2.gz AAXNZCHNSPHSKO-CJNGLKHVSA-N 2 0 309.454 2.518 20 0 DFADRP CC[NH+](CC)CCCN1CC[N@H+](C)C[C@H]1Cc1ccccc1 ZINC000649828809 431320000 /nfs/dbraw/zinc/32/00/00/431320000.db2.gz TYQKMIAWSMINGY-LJQANCHMSA-N 2 0 303.494 2.577 20 0 DFADRP C[C@@H]1C[N@@H+](CC2CC[NH+](C[C@@H]3CCC(C)(C)O3)CC2)C[C@H](C)O1 ZINC000186927873 288153167 /nfs/dbraw/zinc/15/31/67/288153167.db2.gz GKHGVYZBVCBQIK-JZXOWHBKSA-N 2 0 324.509 2.765 20 0 DFADRP COc1cc2[nH+]ccc(N3CCC[C@@H](CC[NH3+])C3)c2cc1OC ZINC000663238673 431336964 /nfs/dbraw/zinc/33/69/64/431336964.db2.gz COWHZUXRWCMDBF-ZDUSSCGKSA-N 2 0 315.417 2.817 20 0 DFADRP COc1cc(CN[C@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)sn1 ZINC000660257890 431343892 /nfs/dbraw/zinc/34/38/92/431343892.db2.gz XQLVLLFBGAVJLQ-OLZOCXBDSA-N 2 0 309.479 2.894 20 0 DFADRP Cc1nc2ccccc2n1CCC(=O)NCC1([NH3+])CCCCC1 ZINC000646581985 431345947 /nfs/dbraw/zinc/34/59/47/431345947.db2.gz CGROYOFPTUEOGS-UHFFFAOYSA-N 2 0 314.433 2.513 20 0 DFADRP CC[C@H](C)Oc1cc(C[NH2+]CC[C@H]2CC[NH2+]C2)ccc1OC ZINC000666787296 431358636 /nfs/dbraw/zinc/35/86/36/431358636.db2.gz BGMHGMBSCQWJMU-LSDHHAIUSA-N 2 0 306.450 2.962 20 0 DFADRP CC(C)c1cccc(C[NH2+]C[C@H](C)CN2CC[NH+](C)CC2)c1 ZINC000663316657 431360886 /nfs/dbraw/zinc/36/08/86/431360886.db2.gz YPMHREGBKMBHMW-KRWDZBQOSA-N 2 0 303.494 2.783 20 0 DFADRP CC(C)[N@H+](C)C[C@H](O)C[NH+]1CCC[C@]1(C)Cc1ccccc1 ZINC000660291150 431361755 /nfs/dbraw/zinc/36/17/55/431361755.db2.gz VLWGRKDKHFPANM-RBUKOAKNSA-N 2 0 304.478 2.785 20 0 DFADRP COc1cc(C[NH2+][C@H]2CC23CC[NH2+]CC3)cc(Cl)c1OC ZINC000666950902 431420132 /nfs/dbraw/zinc/42/01/32/431420132.db2.gz PSOFVRZFVRAYFQ-AWEZNQCLSA-N 2 0 310.825 2.589 20 0 DFADRP Fc1cccc(N2CCCC2)c1C[NH2+][C@H]1CC12CC[NH2+]CC2 ZINC000666950992 431420814 /nfs/dbraw/zinc/42/08/14/431420814.db2.gz VSBGWEPLXUCCON-KRWDZBQOSA-N 2 0 303.425 2.658 20 0 DFADRP C[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+][C@@H]2CC23CC[NH2+]CC3)CC1 ZINC000666953919 431422239 /nfs/dbraw/zinc/42/22/39/431422239.db2.gz LBSKBWVQBJHSTQ-KBAYOESNSA-N 2 0 305.510 2.761 20 0 DFADRP COCC[C@@H](Cc1cccc(F)c1)[NH2+][C@@H]1CC12CC[NH2+]CC2 ZINC000666954100 431422868 /nfs/dbraw/zinc/42/28/68/431422868.db2.gz PWMAMQOMSPHWRN-DLBZAZTESA-N 2 0 306.425 2.505 20 0 DFADRP Cc1nn(-c2cccc(F)c2)cc1C[NH2+][C@H]1CC12CC[NH2+]CC2 ZINC000666955350 431423030 /nfs/dbraw/zinc/42/30/30/431423030.db2.gz BEKTUGCMKICCID-KRWDZBQOSA-N 2 0 314.408 2.552 20 0 DFADRP Cn1cc(CNC[C@H]([NH3+])C2CC2)c(-c2cc3ccccc3o2)n1 ZINC000666834147 431375567 /nfs/dbraw/zinc/37/55/67/431375567.db2.gz IPJPEJCQSOIEDR-HNNXBMFYSA-N 2 0 310.401 2.660 20 0 DFADRP Cc1nc2ccccn2c1C[NH2+]C[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000663346185 431375752 /nfs/dbraw/zinc/37/57/52/431375752.db2.gz QGEQTMZZEDVUTQ-KRWDZBQOSA-N 2 0 312.461 2.854 20 0 DFADRP C[N@H+](CCC1CCC1)C[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000660334525 431384790 /nfs/dbraw/zinc/38/47/90/431384790.db2.gz NHEVEFXXBOLHTF-IBGZPJMESA-N 2 0 302.462 2.745 20 0 DFADRP CCCC[NH+]1CCC([NH2+]CCC(=O)N(C)c2ccccc2)CC1 ZINC000663359532 431385711 /nfs/dbraw/zinc/38/57/11/431385711.db2.gz IDMWSKDBDKQVDP-UHFFFAOYSA-N 2 0 317.477 2.894 20 0 DFADRP CCc1ccccc1NC(=O)C[C@H](C)[NH2+][C@H]1CCC[NH2+]CC1 ZINC000666858113 431386665 /nfs/dbraw/zinc/38/66/65/431386665.db2.gz XTBILPBLCGNHBC-HOCLYGCPSA-N 2 0 303.450 2.698 20 0 DFADRP CCO[C@@H](CC[NH+](C)C)C[NH2+][C@@H](c1ncc[nH]1)C1CCCCC1 ZINC000367597605 279761643 /nfs/dbraw/zinc/76/16/43/279761643.db2.gz BXZHUZQHYUPXSC-DLBZAZTESA-N 2 0 322.497 2.978 20 0 DFADRP OC1(C[NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)CC23CCC3)CCC1 ZINC000663368827 431389205 /nfs/dbraw/zinc/38/92/05/431389205.db2.gz OVYUXISNKKLEFQ-GOSISDBHSA-N 2 0 314.473 2.793 20 0 DFADRP c1[nH]nc2c1CCN(Cc1cccc(C[NH+]3CCCCC3)c1)C2 ZINC000663371555 431390127 /nfs/dbraw/zinc/39/01/27/431390127.db2.gz CMJNTMPLFSJLFV-UHFFFAOYSA-N 2 0 310.445 2.954 20 0 DFADRP CCC[C@H]([NH3+])c1cn(C[C@@H]2CC[N@H+](Cc3ccccc3)C2)nn1 ZINC000656469013 431397186 /nfs/dbraw/zinc/39/71/86/431397186.db2.gz YMMOTPFXSLXTMK-SJORKVTESA-N 2 0 313.449 2.600 20 0 DFADRP CN(Cc1ccccc1)C[C@@H](O)C[N@H+]1C[C@@H]2CCCC[C@@H]2C1 ZINC000650015867 431402781 /nfs/dbraw/zinc/40/27/81/431402781.db2.gz RVIPCAMSDSCWHG-CEXWTWQISA-N 2 0 302.462 2.601 20 0 DFADRP C[C@@H]1C[NH+](CCCC[NH2+]Cc2ccc3c(n2)CCC3)C[C@@H](C)O1 ZINC000656493477 431408876 /nfs/dbraw/zinc/40/88/76/431408876.db2.gz CEYGMTDBFLVVOS-HZPDHXFCSA-N 2 0 317.477 2.549 20 0 DFADRP C[NH+]1CCC(N2CC[C@H]([NH2+]C[C@@H]3C[C@H]3c3ccccc3)C2)CC1 ZINC000656499146 431409165 /nfs/dbraw/zinc/40/91/65/431409165.db2.gz UAJVCSAMOWHPOQ-BJLQDIEVSA-N 2 0 313.489 2.548 20 0 DFADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1N[C@H]1CC[NH2+]C2(CCC2)C1 ZINC000666995389 431438465 /nfs/dbraw/zinc/43/84/65/431438465.db2.gz MRKKDIDIJBFNRC-NEWSRXKRSA-N 2 0 313.489 2.771 20 0 DFADRP CN(Cc1ccccc1)[C@@H]1CC[N@H+](CCCc2cncn2C)C1 ZINC000653566489 431439109 /nfs/dbraw/zinc/43/91/09/431439109.db2.gz VPVKKGDNDORNBD-LJQANCHMSA-N 2 0 312.461 2.559 20 0 DFADRP CC[N@H+](C)C[C@@H](O)C[NH+]1CCC[C@@H](c2cc3ccccc3[nH]2)C1 ZINC000653573732 431440570 /nfs/dbraw/zinc/44/05/70/431440570.db2.gz LGSMODJNISIBBL-IAGOWNOFSA-N 2 0 315.461 2.660 20 0 DFADRP c1cc2c(cc[nH+]c2N2CCC(CC[NH+]3CCOCC3)CC2)[nH]1 ZINC000663480536 431440521 /nfs/dbraw/zinc/44/05/21/431440521.db2.gz QYMXXOWGJGKDSW-UHFFFAOYSA-N 2 0 314.433 2.502 20 0 DFADRP C[C@@H]1C[NH2+]CC[C@H]1CN1CC[NH2+]C[C@H]1c1cccc(Cl)c1 ZINC000663493818 431442344 /nfs/dbraw/zinc/44/23/44/431442344.db2.gz KKPXUWQKYQVNFI-KMFMINBZSA-N 2 0 307.869 2.532 20 0 DFADRP Cc1c[nH+]ccc1N1CCC(c2nc([C@H]3CCC[NH2+]3)no2)CC1 ZINC000647148245 431480419 /nfs/dbraw/zinc/48/04/19/431480419.db2.gz KACXATDNLVFRHH-CQSZACIVSA-N 2 0 313.405 2.582 20 0 DFADRP CC[NH2+]Cc1cccc(NCc2nc3c(s2)C[NH2+]CC3)c1 ZINC000663493733 431443793 /nfs/dbraw/zinc/44/37/93/431443793.db2.gz IZRRSAICAHHTAP-UHFFFAOYSA-N 2 0 302.447 2.510 20 0 DFADRP C[C@@H](Cc1ccc(Br)cc1)[NH2+]CC12CC(C1)C[NH2+]2 ZINC000663499192 431445725 /nfs/dbraw/zinc/44/57/25/431445725.db2.gz BWFYTTGVHQSNRE-ZOODHJKOSA-N 2 0 309.251 2.722 20 0 DFADRP COc1cc(C[NH2+]CC[C@@H]([NH3+])C(C)C)c(SC)cc1OC ZINC000663498965 431445861 /nfs/dbraw/zinc/44/58/61/431445861.db2.gz WLWABQREFMRFNO-CYBMUJFWSA-N 2 0 312.479 2.889 20 0 DFADRP CC[N@H+](CCOc1ccccc1OC)C[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000663503008 431447345 /nfs/dbraw/zinc/44/73/45/431447345.db2.gz LIFGQAZLTMGEEU-JKSUJKDBSA-N 2 0 306.450 2.784 20 0 DFADRP Cc1ccc(NC(=O)C[C@@H](C)[NH2+]CC[C@@H]([NH3+])C(C)C)c(C)c1 ZINC000663504280 431447393 /nfs/dbraw/zinc/44/73/93/431447393.db2.gz YCBFENGMAGWOQG-HZPDHXFCSA-N 2 0 305.466 2.984 20 0 DFADRP C[NH2+]CCCC(=O)N1CCC([NH2+][C@H]2CCCC[C@@H]2C2CC2)CC1 ZINC000663506140 431447699 /nfs/dbraw/zinc/44/76/99/431447699.db2.gz QOLWAXWYACHFOE-MSOLQXFVSA-N 2 0 321.509 2.535 20 0 DFADRP CC[C@H]1CCC[C@H]([NH2+]C2CCN(C(=O)CCC[NH2+]C)CC2)C1 ZINC000663505509 431447787 /nfs/dbraw/zinc/44/77/87/431447787.db2.gz JMNQVIIZJUTKAQ-RDJZCZTQSA-N 2 0 309.498 2.535 20 0 DFADRP CCO[C@@H]1C[C@@H]([NH2+]C[C@@H](C)C[NH+]2CCCCC2)C12CCOCC2 ZINC000186261246 279816086 /nfs/dbraw/zinc/81/60/86/279816086.db2.gz MZYWNSMZTYJAON-KZNAEPCWSA-N 2 0 324.509 2.672 20 0 DFADRP CC[N@H+](C)C[C@H](O)CN[C@H](CC(C)C)c1ccccc1OC ZINC000653606902 431456075 /nfs/dbraw/zinc/45/60/75/431456075.db2.gz KIDXYVKDVMSXID-NVXWUHKLSA-N 2 0 308.466 2.685 20 0 DFADRP COc1cccc(C[NH+]2CCC([C@H]3OCCC[C@H]3[NH3+])CC2)c1F ZINC000667042303 431457158 /nfs/dbraw/zinc/45/71/58/431457158.db2.gz ZXIUYGSVFZHAQS-CRAIPNDOSA-N 2 0 322.424 2.553 20 0 DFADRP CC[NH+](CC)Cc1ccc(C(=O)N2[C@H](C)CN(C)[C@@H](C)[C@@H]2C)o1 ZINC000650150333 431458602 /nfs/dbraw/zinc/45/86/02/431458602.db2.gz SYMZSZWNUGAIJZ-ILXRZTDVSA-N 2 0 321.465 2.675 20 0 DFADRP COc1ccc(C[C@H](C)[NH2+]C[C@@H]2CCC[N@H+](CC3CC3)C2)cn1 ZINC000663465979 431433106 /nfs/dbraw/zinc/43/31/06/431433106.db2.gz MMKMZCRNDAQIEQ-YJBOKZPZSA-N 2 0 317.477 2.733 20 0 DFADRP C(NC1CC[NH+](CC2CC2)CC1)[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000663471825 431435008 /nfs/dbraw/zinc/43/50/08/431435008.db2.gz YOALCIJXCCKDLC-GOSISDBHSA-N 2 0 305.510 2.572 20 0 DFADRP COc1ccc(OC)c(C[NH+]2CCC([C@H]3CCC[NH2+]C3)CC2)c1 ZINC000656784740 431521109 /nfs/dbraw/zinc/52/11/09/431521109.db2.gz GTLCAWWMHALOIY-INIZCTEOSA-N 2 0 318.461 2.915 20 0 DFADRP COCc1cnc(C[N@@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)s1 ZINC000656783682 431521238 /nfs/dbraw/zinc/52/12/38/431521238.db2.gz UGGGSUHSFQLOJU-AWEZNQCLSA-N 2 0 309.479 2.501 20 0 DFADRP COc1ccc(C[NH+]2CCC([C@H]3CCC[NH2+]C3)CC2)cc1O ZINC000656785534 431522075 /nfs/dbraw/zinc/52/20/75/431522075.db2.gz LMQXZIGJXBQKKB-INIZCTEOSA-N 2 0 304.434 2.612 20 0 DFADRP Cn1cnc2cc(C[NH+]3CCC([C@H]4CCC[NH2+]C4)CC3)ccc21 ZINC000656787301 431522100 /nfs/dbraw/zinc/52/21/00/431522100.db2.gz WWTUQGKILXOZGC-KRWDZBQOSA-N 2 0 312.461 2.785 20 0 DFADRP c1cc2c(cc1C[N@@H+]1CCC[C@H](C3CC[NH2+]CC3)C1)OCCO2 ZINC000656786266 431522611 /nfs/dbraw/zinc/52/26/11/431522611.db2.gz RCPPWCITPISJGU-KRWDZBQOSA-N 2 0 316.445 2.669 20 0 DFADRP CC(=O)Nc1ccccc1C[N@@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000656786228 431523164 /nfs/dbraw/zinc/52/31/64/431523164.db2.gz QDVHTIGHYVCACZ-KRWDZBQOSA-N 2 0 315.461 2.857 20 0 DFADRP COc1ccc(C[N@@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)cc1OC ZINC000656785944 431523180 /nfs/dbraw/zinc/52/31/80/431523180.db2.gz NPTLXSOIMMLNBU-KRWDZBQOSA-N 2 0 318.461 2.915 20 0 DFADRP c1cc2c(cc1CNCC[NH2+]C1CCCCCC1)C[NH2+]CC2 ZINC000656785455 431523365 /nfs/dbraw/zinc/52/33/65/431523365.db2.gz HWGGQVBXYOTEEY-UHFFFAOYSA-N 2 0 301.478 2.734 20 0 DFADRP C[C@@H]1C[C@@H](NC[C@@H]2C[NH+](C)C[C@H]2c2ccccc2)C[N@@H+]1C1CC1 ZINC000647248770 431527203 /nfs/dbraw/zinc/52/72/03/431527203.db2.gz BQRMRHRQAUTDKT-UIXUWTQFSA-N 2 0 313.489 2.547 20 0 DFADRP c1ccc(C[NH+]2CCC(c3nc([C@@H]4CCC[NH2+]4)no3)CC2)cc1 ZINC000647151312 431482130 /nfs/dbraw/zinc/48/21/30/431482130.db2.gz BHHQKTJWSKKWOB-INIZCTEOSA-N 2 0 312.417 2.874 20 0 DFADRP CC(C)[N@H+](C)C[C@H](O)C[NH+]1CCC[C@@H]1CCc1ccccc1 ZINC000656701535 431486033 /nfs/dbraw/zinc/48/60/33/431486033.db2.gz XCWPJXFHTGEXJX-MOPGFXCFSA-N 2 0 304.478 2.785 20 0 DFADRP C[C@H]1COCC[N@@H+]1C1CCN(CCc2c(F)cccc2F)CC1 ZINC000653690216 431490251 /nfs/dbraw/zinc/49/02/51/431490251.db2.gz DCXFDAYZKICPAD-AWEZNQCLSA-N 2 0 324.415 2.692 20 0 DFADRP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)CO1 ZINC000647170340 431491665 /nfs/dbraw/zinc/49/16/65/431491665.db2.gz WNLFKPCVZGLKDU-OAFZBRQQSA-N 2 0 318.461 2.563 20 0 DFADRP O[C@@H]1CCC[C@@H]1[NH+]1CCC([NH2+]C2CCC(F)(F)CC2)CC1 ZINC000647193405 431505155 /nfs/dbraw/zinc/50/51/55/431505155.db2.gz XTHYKHDONCFKMP-LSDHHAIUSA-N 2 0 302.409 2.532 20 0 DFADRP OC[C@@H](CC1CC1)[NH2+][C@H]1CCN(Cc2ccccc2)C2(CC2)C1 ZINC000647196478 431505917 /nfs/dbraw/zinc/50/59/17/431505917.db2.gz AFKVAZQAYRLFBS-RBUKOAKNSA-N 2 0 314.473 2.934 20 0 DFADRP C[N@@H+]1C[C@@H](C[NH2+][C@@H]2[C@H]3CCO[C@@H]3C2(C)C)[C@H](c2ccccc2)C1 ZINC000647344234 431558115 /nfs/dbraw/zinc/55/81/15/431558115.db2.gz MHFOWKJLGKPQSH-FQBWVUSXSA-N 2 0 314.473 2.735 20 0 DFADRP CC[C@@H]([NH2+]C[C@@H]1C[N@H+](C)C[C@H]1c1ccccc1)[C@H]1CCOC1 ZINC000647343909 431558822 /nfs/dbraw/zinc/55/88/22/431558822.db2.gz FSKVJLJXCXNMGH-ZSYWTGECSA-N 2 0 302.462 2.737 20 0 DFADRP CC(C)[NH+]1CCC(NC[C@@H]2C[N@H+](C)C[C@H]2c2ccccc2)CC1 ZINC000647343511 431559311 /nfs/dbraw/zinc/55/93/11/431559311.db2.gz TZCPSSPRUNKWFJ-QUCCMNQESA-N 2 0 315.505 2.794 20 0 DFADRP Cc1cnn(CCCCC[NH+]2CCC[C@@]3(CC[N@@H+](C)C3)C2)c1 ZINC000660657768 431538026 /nfs/dbraw/zinc/53/80/26/431538026.db2.gz AFOLUUOZUYICAN-SFHVURJKSA-N 2 0 304.482 2.780 20 0 DFADRP CC(C)C[C@H]([NH2+]CCN1CCC([NH+](C)C)CC1)c1ccncc1 ZINC000647291554 431539442 /nfs/dbraw/zinc/53/94/42/431539442.db2.gz RZIOKKLHUPYLLR-IBGZPJMESA-N 2 0 318.509 2.784 20 0 DFADRP C[N@@H+]1CCC[C@H]1CCN1CCCN(c2cccc(F)c2F)CC1 ZINC000660665018 431540269 /nfs/dbraw/zinc/54/02/69/431540269.db2.gz LCEHPEHHRBAXCN-HNNXBMFYSA-N 2 0 323.431 2.961 20 0 DFADRP CC(C)[NH2+]C1(CO)CC[NH+](CC[C@@H]2CCc3ccccc32)CC1 ZINC000660676435 431544048 /nfs/dbraw/zinc/54/40/48/431544048.db2.gz JNRSGMCSMSUIIW-SFHVURJKSA-N 2 0 316.489 2.931 20 0 DFADRP C[NH+](C)CCCC(C)(C)NC(=O)c1ccc(C[NH+](C)C)cc1 ZINC000653845257 431551229 /nfs/dbraw/zinc/55/12/29/431551229.db2.gz BSWQOOJHUMTUSM-UHFFFAOYSA-N 2 0 305.466 2.598 20 0 DFADRP C[C@H]1C[C@H]([NH2+]CC2(O)CC[NH+](C)CC2)c2ccsc2S1 ZINC000268986272 280009521 /nfs/dbraw/zinc/00/95/21/280009521.db2.gz LPCJADMPBVQNCW-AAEUAGOBSA-N 2 0 312.504 2.720 20 0 DFADRP CC(C)[C@H](C(=O)NCCC[NH+]1CCCCCC1)[NH+]1CCCCC1 ZINC000354317359 280170373 /nfs/dbraw/zinc/17/03/73/280170373.db2.gz GAHQESNMCCBYGL-GOSISDBHSA-N 2 0 323.525 2.879 20 0 DFADRP CC(C)[C@H](CO)[N@H+](CCC1CC[NH2+]CC1)Cc1ccccc1 ZINC000359229588 280260693 /nfs/dbraw/zinc/26/06/93/280260693.db2.gz YEKSVRWLPDGWJE-IBGZPJMESA-N 2 0 304.478 2.895 20 0 DFADRP COC1CCC([NH2+]Cc2ccc(OCC[NH+](C)C)cc2)CC1 ZINC000657080774 431594602 /nfs/dbraw/zinc/59/46/02/431594602.db2.gz CZCIZOVRVUWMNK-UHFFFAOYSA-N 2 0 306.450 2.674 20 0 DFADRP Cc1cc(C(F)(F)F)cc(NC[C@@H]2CCC[N@@H+]2CCCO)n1 ZINC000663953197 431604010 /nfs/dbraw/zinc/60/40/10/431604010.db2.gz YDXNUQFZIBLJTM-ZDUSSCGKSA-N 2 0 317.355 2.668 20 0 DFADRP CCOc1ccc(C[N@@H+]2CCC[C@H]([C@@H]3C[C@H]([NH3+])CCO3)C2)cc1 ZINC000650705531 431653192 /nfs/dbraw/zinc/65/31/92/431653192.db2.gz KORYBVZDMRMLSA-SCTDSRPQSA-N 2 0 318.461 2.804 20 0 DFADRP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCC[N@H+](Cc3ccc(F)cc3F)C2)C1 ZINC000650705682 431653888 /nfs/dbraw/zinc/65/38/88/431653888.db2.gz QPWDKBOEFOXBEQ-UNEWFSDZSA-N 2 0 310.388 2.683 20 0 DFADRP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCC[N@H+](Cc3cc(F)cc(F)c3)C2)C1 ZINC000650707400 431654456 /nfs/dbraw/zinc/65/44/56/431654456.db2.gz FEJZDPRBCLSXFG-IAOVAPTHSA-N 2 0 310.388 2.683 20 0 DFADRP [NH3+]C[C@]12CCC[C@H]1C[N@H+](Cc1c[nH]nc1-c1ccccc1F)C2 ZINC000650709250 431656915 /nfs/dbraw/zinc/65/69/15/431656915.db2.gz MONNQSDPLKPUEQ-KSSFIOAISA-N 2 0 314.408 2.777 20 0 DFADRP C[C@H]1CCC[N@H+](Cc2cc(-n3ccnc3)cs2)[C@@H]1CC[NH3+] ZINC000650711111 431657378 /nfs/dbraw/zinc/65/73/78/431657378.db2.gz ITZVOTVNMQJBSG-XJKSGUPXSA-N 2 0 304.463 2.883 20 0 DFADRP COc1cc(C[N@@H+]2C[C@@H]3CCC[C@]3(C[NH3+])C2)ccc1SC ZINC000650708978 431657683 /nfs/dbraw/zinc/65/76/83/431657683.db2.gz XPVIIPQATGSMBN-YOEHRIQHSA-N 2 0 306.475 2.978 20 0 DFADRP c1nc2n(c1C[NH2+]Cc1cccc(C[NH+]3CCCC3)c1)CCC2 ZINC000657300715 431660191 /nfs/dbraw/zinc/66/01/91/431660191.db2.gz SWGYCHZBEZHEOO-UHFFFAOYSA-N 2 0 310.445 2.715 20 0 DFADRP COc1ccc(OC(F)F)c(C[NH2+]CCC2(C[NH3+])CC2)c1 ZINC000650712682 431660566 /nfs/dbraw/zinc/66/05/66/431660566.db2.gz PCXHMCYNCYRMJQ-UHFFFAOYSA-N 2 0 300.349 2.515 20 0 DFADRP Fc1ccc(COC2CC[NH+](CC3CC[NH2+]CC3)CC2)cc1 ZINC000647518432 431614038 /nfs/dbraw/zinc/61/40/38/431614038.db2.gz IOZDFPROBWWXSW-UHFFFAOYSA-N 2 0 306.425 2.806 20 0 DFADRP C[C@H]1C[C@@H]([NH2+]CCC2(C[NH3+])CC2)CCN1Cc1ccccc1 ZINC000650713437 431660716 /nfs/dbraw/zinc/66/07/16/431660716.db2.gz SLGJSAPPQBMTKF-WMZOPIPTSA-N 2 0 301.478 2.758 20 0 DFADRP C(c1nc2c(s1)CCCC2)[N@@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000647545730 431624198 /nfs/dbraw/zinc/62/41/98/431624198.db2.gz JVLFVCOXNRGAIB-KGLIPLIRSA-N 2 0 305.491 2.843 20 0 DFADRP CC(C)c1ccc([C@H](N)C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000647546682 431624753 /nfs/dbraw/zinc/62/47/53/431624753.db2.gz VRBGUYVIXSKTSA-WJFTUGDTSA-N 2 0 301.478 2.788 20 0 DFADRP CC(=O)Nc1ccc(C[N@@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)cc1 ZINC000647544258 431626265 /nfs/dbraw/zinc/62/62/65/431626265.db2.gz YTIQVGQECZVNPV-ROUUACIJSA-N 2 0 315.461 2.857 20 0 DFADRP C[C@H]([NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1)c1noc(-c2ccccc2)n1 ZINC000647548701 431627843 /nfs/dbraw/zinc/62/78/43/431627843.db2.gz QERKMEDJFDBFRY-ARLBYUKCSA-N 2 0 312.417 2.775 20 0 DFADRP Fc1cccc(F)c1N1CC[C@H]([NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)C1 ZINC000647549924 431627976 /nfs/dbraw/zinc/62/79/76/431627976.db2.gz XZBSHDFOECKNIU-XQLPTFJDSA-N 2 0 321.415 2.521 20 0 DFADRP C[C@H]([NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1)c1cccc(-n2cccn2)c1 ZINC000647550181 431628743 /nfs/dbraw/zinc/62/87/43/431628743.db2.gz DRLHZVCWBYKREU-DZJNRPSUSA-N 2 0 310.445 2.911 20 0 DFADRP FC(F)(F)c1csc(C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)n1 ZINC000647550477 431628835 /nfs/dbraw/zinc/62/88/35/431628835.db2.gz RUYSCPFSUBBSLH-OPRDCNLKSA-N 2 0 305.369 2.640 20 0 DFADRP CCN(CC)c1ncc(C[NH2+]Cc2ccccc2C[NH2+]C)s1 ZINC000650718225 431661212 /nfs/dbraw/zinc/66/12/12/431661212.db2.gz CXEBWLWRFPLZNH-UHFFFAOYSA-N 2 0 318.490 2.999 20 0 DFADRP c1cc(CCC[NH2+][C@H]2CC[NH2+]C23CCCC3)cc2c1OCC2 ZINC000647554395 431630038 /nfs/dbraw/zinc/63/00/38/431630038.db2.gz YPVBZPXOJCQPEG-SFHVURJKSA-N 2 0 300.446 2.818 20 0 DFADRP C[NH2+]Cc1ccccc1C[NH2+][C@H](C)Cc1ccn(C(C)C)n1 ZINC000650719027 431661500 /nfs/dbraw/zinc/66/15/00/431661500.db2.gz AMZBUAQDTBLLJZ-OAHLLOKOSA-N 2 0 300.450 2.904 20 0 DFADRP COCc1cccc(C[N@@H+]2CCCC[C@@H]2[C@@H]2C[C@@H]([NH3+])CCO2)c1 ZINC000650724138 431669165 /nfs/dbraw/zinc/66/91/65/431669165.db2.gz YQOOQCVMCPSADF-OTWHNJEPSA-N 2 0 318.461 2.694 20 0 DFADRP COC[C@H](C)Oc1ccc(C[NH2+]C[C@H](C)C[NH+]2CCCC2)cc1 ZINC000657317554 431672881 /nfs/dbraw/zinc/67/28/81/431672881.db2.gz CFWKVLYPUHTIGM-IRXDYDNUSA-N 2 0 320.477 2.922 20 0 DFADRP CC(C)NC(=O)Nc1ccc([C@@H](C)[NH2+]CCC2(C[NH3+])CC2)cc1 ZINC000650744659 431674555 /nfs/dbraw/zinc/67/45/55/431674555.db2.gz SYSMDVMUGRFCQS-CQSZACIVSA-N 2 0 318.465 2.996 20 0 DFADRP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1[NH2+]CC1(c2ccccc2F)CCC1 ZINC000650740751 431674919 /nfs/dbraw/zinc/67/49/19/431674919.db2.gz PZJUBQSHAOQYCD-ZQIUZPCESA-N 2 0 306.425 2.589 20 0 DFADRP Cc1ccccc1[C@@H]1C[C@H]1[NH2+][C@@H]1CCOC[C@H]1[C@H]1CCC[NH2+]1 ZINC000650741899 431675391 /nfs/dbraw/zinc/67/53/91/431675391.db2.gz NUENTJLUKFAFJW-NTZUZEMLSA-N 2 0 300.446 2.598 20 0 DFADRP CN(CCC[NH2+]Cc1cnc2n1CCC2)c1ccccc1F ZINC000657324813 431676056 /nfs/dbraw/zinc/67/60/56/431676056.db2.gz XPVFGRYADSQNAK-UHFFFAOYSA-N 2 0 302.397 2.585 20 0 DFADRP C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNCc2cnc3n2CCC3)C1 ZINC000657325978 431676722 /nfs/dbraw/zinc/67/67/22/431676722.db2.gz QJKLRNDALCAANR-HUUCEWRRSA-N 2 0 304.482 2.675 20 0 DFADRP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+]CCC2(C[NH3+])CC2)CC1 ZINC000650747704 431676931 /nfs/dbraw/zinc/67/69/31/431676931.db2.gz GACGQMQTPRPGAC-QGZVFWFLSA-N 3 0 315.505 2.801 20 0 DFADRP C[C@@H]([NH2+]Cc1ccc(C[NH3+])cc1F)c1ccc2c(c1)OCO2 ZINC000650752246 431679944 /nfs/dbraw/zinc/67/99/44/431679944.db2.gz MVAKZQKGUDYTAY-LLVKDONJSA-N 2 0 302.349 2.864 20 0 DFADRP c1cc([C@@H]2C[C@H]([NH2+][C@@H]3CCC[C@@H]3[C@@H]3CCC[NH2+]3)CCO2)ccn1 ZINC000650752348 431680785 /nfs/dbraw/zinc/68/07/85/431680785.db2.gz PKLRRSRWVFOABV-FQBWVUSXSA-N 2 0 315.461 2.812 20 0 DFADRP C[NH2+]Cc1ccccc1C[NH2+][C@@H](C)CC(=O)Nc1ccccc1 ZINC000650759059 431681832 /nfs/dbraw/zinc/68/18/32/431681832.db2.gz CDGBOGGAAAVVPS-HNNXBMFYSA-N 2 0 311.429 2.913 20 0 DFADRP Cc1c(Br)cncc1CN[C@H](C)CC[NH+](C)C ZINC000657335988 431683156 /nfs/dbraw/zinc/68/31/56/431683156.db2.gz VXLVUUMNHWDXAD-SNVBAGLBSA-N 2 0 300.244 2.582 20 0 DFADRP Cn1cc([C@H]([NH2+]CCC2CC[NH2+]CC2)c2cccc(F)c2)cn1 ZINC000650762546 431683856 /nfs/dbraw/zinc/68/38/56/431683856.db2.gz DOGIHKGQGJORGF-GOSISDBHSA-N 2 0 316.424 2.628 20 0 DFADRP CC[N@@H+]1CCC[C@H](C[NH2+]Cc2ccc(O[C@H](C)COC)cc2)C1 ZINC000657337467 431683875 /nfs/dbraw/zinc/68/38/75/431683875.db2.gz VSVROEZJAXHPTB-SJLPKXTDSA-N 2 0 320.477 2.922 20 0 DFADRP Cc1cccc(NC(=O)C[C@H](C)[NH2+]CCC2CC[NH2+]CC2)c1 ZINC000650764004 431684175 /nfs/dbraw/zinc/68/41/75/431684175.db2.gz ODDRNVCNLDZXJZ-HNNXBMFYSA-N 2 0 303.450 2.691 20 0 DFADRP CN(CCC[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1)c1ccccc1F ZINC000647786272 431684315 /nfs/dbraw/zinc/68/43/15/431684315.db2.gz LTGUQPBDKPXMLY-HRCADAONSA-N 2 0 305.441 2.630 20 0 DFADRP Cc1cc(N[C@@H]2CC[N@@H+](C(C)(C)C)C2)nc(-c2ccncc2)n1 ZINC000664175488 431684501 /nfs/dbraw/zinc/68/45/01/431684501.db2.gz OZFAHJALVHVEBJ-OAHLLOKOSA-N 2 0 311.433 2.554 20 0 DFADRP CCN(CC[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1)c1cccc(C)c1 ZINC000647786264 431684707 /nfs/dbraw/zinc/68/47/07/431684707.db2.gz LSLCNEFJMHRNIJ-OKZBNKHCSA-N 2 0 301.478 2.799 20 0 DFADRP CCc1ccccc1NC(=O)C[N@H+](C)CCCC1CC[NH2+]CC1 ZINC000647872195 431713229 /nfs/dbraw/zinc/71/32/29/431713229.db2.gz DXZCYVVYTXJGSM-UHFFFAOYSA-N 2 0 317.477 2.899 20 0 DFADRP c1cc(C[NH+]2CCCC2)ccc1C[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000647788054 431685198 /nfs/dbraw/zinc/68/51/98/431685198.db2.gz BSWQWXLMSUYXEP-HSALFYBXSA-N 3 0 313.489 2.760 20 0 DFADRP CN(C)[C@H](C[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1)c1ccccc1Cl ZINC000647785914 431685205 /nfs/dbraw/zinc/68/52/05/431685205.db2.gz GDNKQZDJTWHMKV-LUXYFRNMSA-N 2 0 321.896 2.920 20 0 DFADRP CCN(CCC[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1)c1ccccc1 ZINC000647788068 431685314 /nfs/dbraw/zinc/68/53/14/431685314.db2.gz BVJGSDLMGCCPNM-OKZBNKHCSA-N 2 0 301.478 2.881 20 0 DFADRP c1csc([C@H](C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)N2CCCC2)c1 ZINC000647786084 431685599 /nfs/dbraw/zinc/68/55/99/431685599.db2.gz HSEOIRLRDBFJDL-TWMKSMIVSA-N 2 0 319.518 2.863 20 0 DFADRP C[C@H]([NH2+]CCc1ccc2c(c1)OC(F)(F)O2)[C@H]1CCC[NH2+]C1 ZINC000650760895 431685923 /nfs/dbraw/zinc/68/59/23/431685923.db2.gz OIWPVCVACKIKKH-AAEUAGOBSA-N 2 0 312.360 2.528 20 0 DFADRP Cc1ccccc1NC(=O)C[C@H](C)[NH2+]CCC1CC[NH2+]CC1 ZINC000650764049 431686226 /nfs/dbraw/zinc/68/62/26/431686226.db2.gz PJBAYZQQXPYBML-HNNXBMFYSA-N 2 0 303.450 2.691 20 0 DFADRP Fc1ccc2c(CC[NH2+][C@@H]3CC[C@@H]4C[NH2+]C[C@@H]4C3)c[nH]c2c1 ZINC000647788521 431686474 /nfs/dbraw/zinc/68/64/74/431686474.db2.gz LEWPKQYLYDJCTN-IVMMDQJWSA-N 2 0 301.409 2.827 20 0 DFADRP c1coc([C@H](C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)N2CCCCC2)c1 ZINC000647792349 431687037 /nfs/dbraw/zinc/68/70/37/431687037.db2.gz ZSKIZJFZURWESY-MLHJIOFPSA-N 2 0 317.477 2.784 20 0 DFADRP C[C@H](O)C[C@H](C[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1)c1ccccc1 ZINC000647789549 431687430 /nfs/dbraw/zinc/68/74/30/431687430.db2.gz HCMKYPRZVKQWNB-UKNAQKAOSA-N 2 0 302.462 2.519 20 0 DFADRP CCN(CC[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1)c1ccccc1C ZINC000647789942 431687512 /nfs/dbraw/zinc/68/75/12/431687512.db2.gz ODSMVDMKRGBVFF-RCCFBDPRSA-N 2 0 301.478 2.799 20 0 DFADRP c1coc([C@H](C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)N2CCCCC2)c1 ZINC000647792348 431687881 /nfs/dbraw/zinc/68/78/81/431687881.db2.gz ZSKIZJFZURWESY-FJIDUMEYSA-N 2 0 317.477 2.784 20 0 DFADRP COc1ccc(COCCC[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000647789397 431688064 /nfs/dbraw/zinc/68/80/64/431688064.db2.gz DBAGBZNBFNZZTL-KZNAEPCWSA-N 2 0 318.461 2.580 20 0 DFADRP Cn1cc(CC[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)c2ccc(F)cc21 ZINC000647795829 431689426 /nfs/dbraw/zinc/68/94/26/431689426.db2.gz XSOGXZDPWWOGDQ-FRFSOERESA-N 2 0 315.436 2.838 20 0 DFADRP Cn1cc(C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)c(-c2ccccc2)n1 ZINC000647794098 431689495 /nfs/dbraw/zinc/68/94/95/431689495.db2.gz RDLMQYATIGJJBD-JFIYKMOQSA-N 2 0 310.445 2.565 20 0 DFADRP C[C@H]([NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)[C@H](c1ccccc1)N(C)C ZINC000647795233 431689946 /nfs/dbraw/zinc/68/99/46/431689946.db2.gz LHAJHEJLYDCFTI-IKLKHMQRSA-N 2 0 301.478 2.656 20 0 DFADRP CCOc1ccc2c(c1)[C@H]([NH2+][C@@H]1CC[C@@H]3C[NH2+]C[C@H]3C1)CCO2 ZINC000647795056 431690178 /nfs/dbraw/zinc/69/01/78/431690178.db2.gz IQJVGIRONRCNLV-ATNYBXOESA-N 2 0 316.445 2.887 20 0 DFADRP Fc1cc(F)c(C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)c(F)c1F ZINC000647795253 431690207 /nfs/dbraw/zinc/69/02/07/431690207.db2.gz MKSPGVLSNWPRBV-LPEHRKFASA-N 2 0 302.315 2.721 20 0 DFADRP c1ccc(COC2CC([NH2+][C@@H]3CC[C@@H]4C[NH2+]C[C@@H]4C3)C2)cc1 ZINC000647795006 431690477 /nfs/dbraw/zinc/69/04/77/431690477.db2.gz HSKUWMZWXZIGPT-FCWGVCEXSA-N 2 0 300.446 2.712 20 0 DFADRP C[C@@H](C[N@H+](C)CCC[NH+](C)C)Nc1ccnc(C(F)(F)F)c1 ZINC000664194789 431690532 /nfs/dbraw/zinc/69/05/32/431690532.db2.gz HPGFRSCNTUDBON-LBPRGKRZSA-N 2 0 318.387 2.784 20 0 DFADRP FC(F)(F)c1cccc(CC[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)n1 ZINC000647798824 431690950 /nfs/dbraw/zinc/69/09/50/431690950.db2.gz XXTVUNTUUXIYJR-SGMGOOAPSA-N 2 0 313.367 2.621 20 0 DFADRP Fc1cc(OCC[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)ccc1Cl ZINC000647798880 431691083 /nfs/dbraw/zinc/69/10/83/431691083.db2.gz YTCIHNFDMWSILA-FRRDWIJNSA-N 2 0 312.816 2.836 20 0 DFADRP c1ccc([C@H]2CC[C@H](C[NH2+][C@@H]3CC[C@H]4C[NH2+]C[C@@H]4C3)O2)cc1 ZINC000647797884 431691251 /nfs/dbraw/zinc/69/12/51/431691251.db2.gz GIJGWCYLDKQBMH-NTZUZEMLSA-N 2 0 300.446 2.884 20 0 DFADRP c1ccc2c(c1)O[C@H](C[NH2+][C@@H]1CC[C@H]3C[NH2+]C[C@H]3C1)CS2 ZINC000647800569 431691537 /nfs/dbraw/zinc/69/15/37/431691537.db2.gz FNVPEANBNGZNSY-GBJTYRQASA-N 2 0 304.459 2.517 20 0 DFADRP COc1cc(CC[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)ccc1Cl ZINC000647797812 431691593 /nfs/dbraw/zinc/69/15/93/431691593.db2.gz CSSZEDUKZYFUOJ-RRFJBIMHSA-N 2 0 308.853 2.869 20 0 DFADRP COc1cccc(C2(C[NH2+][C@@H]3CC[C@@H]4C[NH2+]C[C@H]4C3)CC2)c1 ZINC000647797798 431691627 /nfs/dbraw/zinc/69/16/27/431691627.db2.gz CLILGHCCXHMTNB-BFYDXBDKSA-N 2 0 300.446 2.705 20 0 DFADRP c1ccc2c(c1)O[C@H](CC[NH2+]C1C[C@H]3CC[C@@H](C1)[NH2+]3)CS2 ZINC000647800701 431692092 /nfs/dbraw/zinc/69/20/92/431692092.db2.gz JFVZUCFWCKICKF-IZGVIRRGSA-N 2 0 304.459 2.802 20 0 DFADRP C[C@H]([NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1)[C@H]1OCCc2sccc21 ZINC000647798875 431692267 /nfs/dbraw/zinc/69/22/67/431692267.db2.gz YLXPOIZHYDTAAP-BAHXQUAYSA-N 2 0 306.475 2.728 20 0 DFADRP Cc1cccc2nc(CC[NH2+][C@H](Cc3ccccc3)[C@H](C)[NH3+])cn21 ZINC000647804588 431693694 /nfs/dbraw/zinc/69/36/94/431693694.db2.gz VCUVZDMXNGVFDZ-QFBILLFUSA-N 2 0 322.456 2.733 20 0 DFADRP Cc1cccc2nc(CC[NH2+][C@@H](Cc3ccccc3)[C@H](C)[NH3+])cn21 ZINC000647804587 431693929 /nfs/dbraw/zinc/69/39/29/431693929.db2.gz VCUVZDMXNGVFDZ-LPHOPBHVSA-N 2 0 322.456 2.733 20 0 DFADRP CC[NH2+]CC1CC[NH+](CCOCc2ccc(OC)cc2)CC1 ZINC000647855810 431708176 /nfs/dbraw/zinc/70/81/76/431708176.db2.gz JMNFBRMIWQVUNT-UHFFFAOYSA-N 2 0 306.450 2.533 20 0 DFADRP C[NH+]1CCC(O)(C[NH2+]Cc2cccc(C3CCCC3)c2)CC1 ZINC000657372586 431709653 /nfs/dbraw/zinc/70/96/53/431709653.db2.gz UNZFJJDCECZDQD-UHFFFAOYSA-N 2 0 302.462 2.891 20 0 DFADRP c1cc(C[N@@H+](C[C@H]2CC[NH2+]C2)C2CCCC2)cc2c1OCO2 ZINC000647872651 431714017 /nfs/dbraw/zinc/71/40/17/431714017.db2.gz NVMMDCDBZQUJPL-HNNXBMFYSA-N 2 0 302.418 2.769 20 0 DFADRP COc1c(C)cnc(CN(C)c2cc(CO)cc(C)n2)c1C ZINC000647861130 431712408 /nfs/dbraw/zinc/71/24/08/431712408.db2.gz OWKDFOCGOISUIB-UHFFFAOYSA-N 2 0 301.390 2.539 20 0 DFADRP COc1cccc2c1CC[C@H]([NH2+]Cc1ccc(C[NH3+])cc1F)C2 ZINC000650716679 431662586 /nfs/dbraw/zinc/66/25/86/431662586.db2.gz GRQVKCTTWMWPSF-INIZCTEOSA-N 2 0 314.404 2.940 20 0 DFADRP CCCn1nc(C)c(C[NH2+]Cc2ccccc2C[NH2+]C)c1C ZINC000650719146 431662693 /nfs/dbraw/zinc/66/26/93/431662693.db2.gz FUISMMVBMTVEKI-UHFFFAOYSA-N 2 0 300.450 2.919 20 0 DFADRP O=C(CC[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1)NCC1CCCCC1 ZINC000647903456 431724516 /nfs/dbraw/zinc/72/45/16/431724516.db2.gz JKHRMFNMONCGAT-ZWKOTPCHSA-N 2 0 321.509 2.537 20 0 DFADRP CC(C)CC[NH+]1CCC(C[NH2+]Cc2cn(C3CCC3)nn2)CC1 ZINC000657391376 431724707 /nfs/dbraw/zinc/72/47/07/431724707.db2.gz RGQDUCPPMMMNGN-UHFFFAOYSA-N 2 0 319.497 2.851 20 0 DFADRP CC(C)(C)[C@H]1C[C@H]([NH2+]Cc2ccnn2-c2cc[nH+]cc2)CCO1 ZINC000657422004 431741628 /nfs/dbraw/zinc/74/16/28/431741628.db2.gz KXZVULZNLUEHFV-RHSMWYFYSA-N 2 0 314.433 2.951 20 0 DFADRP C[N@H+]1CC=C(C[NH2+]Cc2cc(F)ccc2OC(F)F)CC1 ZINC000657427074 431744532 /nfs/dbraw/zinc/74/45/32/431744532.db2.gz KYFQATMXYAUXDK-UHFFFAOYSA-N 2 0 300.324 2.779 20 0 DFADRP CC[C@H]1C[C@@H]([NH2+]Cc2ccc(OC3CC[NH+](C)CC3)cc2)CO1 ZINC000657460524 431765265 /nfs/dbraw/zinc/76/52/65/431765265.db2.gz ZRDYZJGKYBSVOC-SJORKVTESA-N 2 0 318.461 2.817 20 0 DFADRP O=C(C[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1)NC1CCCCCC1 ZINC000647975270 431761505 /nfs/dbraw/zinc/76/15/05/431761505.db2.gz TYYQAXMLQZJDPP-IRXDYDNUSA-N 2 0 321.509 2.537 20 0 DFADRP c1cc(-c2noc(C[N@@H+]3CCC[C@H]([C@@H]4CCC[NH2+]C4)C3)n2)co1 ZINC000647977774 431761722 /nfs/dbraw/zinc/76/17/22/431761722.db2.gz HMLKRPKHDQWCAD-KGLIPLIRSA-N 2 0 316.405 2.541 20 0 DFADRP CCCCc1noc(C[N@@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)n1 ZINC000647976885 431762510 /nfs/dbraw/zinc/76/25/10/431762510.db2.gz VSCOMDOLDAWVEC-LSDHHAIUSA-N 2 0 306.454 2.624 20 0 DFADRP COc1ccc(CCC2CC[NH+](C[C@H]3CC[NH2+]C3)CC2)cc1 ZINC000647874360 431714640 /nfs/dbraw/zinc/71/46/40/431714640.db2.gz NFVWOMYVVOCGGC-SFHVURJKSA-N 2 0 302.462 2.949 20 0 DFADRP C[C@H]([NH2+]Cc1cnc2n1CCC2)c1cccc(-n2ccnc2)c1 ZINC000657381767 431715623 /nfs/dbraw/zinc/71/56/23/431715623.db2.gz RFZMKRCAFPBEAM-AWEZNQCLSA-N 2 0 307.401 2.866 20 0 DFADRP CCCCNC(=O)[C@H]1CC[C@H](C)[N@H+](CCCC2CC[NH2+]CC2)C1 ZINC000647881626 431717247 /nfs/dbraw/zinc/71/72/47/431717247.db2.gz VRLAWSOZAWBMLD-WMZOPIPTSA-N 2 0 323.525 2.783 20 0 DFADRP Cc1ccc2cc(C[NH2+]CCN3CCC([NH+](C)C)CC3)[nH]c2c1 ZINC000657386088 431717427 /nfs/dbraw/zinc/71/74/27/431717427.db2.gz AWTDLQBFIXGXTN-UHFFFAOYSA-N 2 0 314.477 2.592 20 0 DFADRP C[N@H+](CCCC1CC[NH2+]CC1)[C@H]1CCN(c2ccccc2)C1=O ZINC000647884471 431719485 /nfs/dbraw/zinc/71/94/85/431719485.db2.gz UJMKUYYNJMWYTB-SFHVURJKSA-N 2 0 315.461 2.504 20 0 DFADRP CC(C)[C@H]1OCCC[C@H]1C[NH2+]Cc1ccnn1-c1cc[nH+]cc1 ZINC000657389324 431719569 /nfs/dbraw/zinc/71/95/69/431719569.db2.gz KEGJUINVVTWMOY-MAUKXSAKSA-N 2 0 314.433 2.808 20 0 DFADRP O=C(CC[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1)NCC1CCCCC1 ZINC000647903454 431723350 /nfs/dbraw/zinc/72/33/50/431723350.db2.gz JKHRMFNMONCGAT-QZTJIDSGSA-N 2 0 321.509 2.537 20 0 DFADRP CC[N@H+](CCCNCc1cnn2c1CCC2)C1CCCCC1 ZINC000657501259 431789354 /nfs/dbraw/zinc/78/93/54/431789354.db2.gz VDLQLELGTXCGGW-UHFFFAOYSA-N 2 0 304.482 2.964 20 0 DFADRP CC(C)n1cc([C@@H]2OCC[C@H]2[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)cn1 ZINC000657509456 431792979 /nfs/dbraw/zinc/79/29/79/431792979.db2.gz GYJUTOYSFGKWRC-MLHJIOFPSA-N 2 0 318.465 2.510 20 0 DFADRP CCC[N@H+](Cc1ccc(OCC[NH+](C)C)cc1)[C@@H]1CCN(C)C1 ZINC000648057485 431804387 /nfs/dbraw/zinc/80/43/87/431804387.db2.gz YGNVIMKSQNANQX-GOSISDBHSA-N 2 0 319.493 2.543 20 0 DFADRP C[C@@H](CN(C)CCC[NH+](C)C)[NH2+]Cc1ccc2ncccc2c1 ZINC000657573675 431814474 /nfs/dbraw/zinc/81/44/74/431814474.db2.gz OLEQDHNBQQCYCO-INIZCTEOSA-N 2 0 314.477 2.596 20 0 DFADRP C[C@@H](CN(C)CCC[NH+](C)C)[NH2+]C[C@@H](C)c1ccc(F)cc1 ZINC000657574071 431814696 /nfs/dbraw/zinc/81/46/96/431814696.db2.gz YHJUGPCMLMCVPV-CVEARBPZSA-N 2 0 309.473 2.791 20 0 DFADRP C[C@H]1CC(CC[NH2+]Cc2ccnn2-c2cc[nH+]cc2)C[C@H](C)O1 ZINC000657462053 431765800 /nfs/dbraw/zinc/76/58/00/431765800.db2.gz CDVTYWLROYTYJX-GJZGRUSLSA-N 2 0 314.433 2.951 20 0 DFADRP c1cc(C[NH2+]CC2(c3ccccn3)CCC2)n(-c2cc[nH+]cc2)n1 ZINC000657463142 431766732 /nfs/dbraw/zinc/76/67/32/431766732.db2.gz ISLHQVPZLPRRSV-UHFFFAOYSA-N 2 0 319.412 2.874 20 0 DFADRP CCC[C@H]1CN(C[C@H]2CC[NH2+]C2)CC[N@@H+]1Cc1ccccc1 ZINC000647990903 431767360 /nfs/dbraw/zinc/76/73/60/431767360.db2.gz UDNGWFRFFJGLHN-OALUTQOASA-N 2 0 301.478 2.582 20 0 DFADRP [NH3+][C@@H](Cc1ccccc1)[C@@H](O)C[N@@H+]1CCCC[C@H]1C1CCC1 ZINC000647997664 431769665 /nfs/dbraw/zinc/76/96/65/431769665.db2.gz XTVDOTMNHUWARW-FHWLQOOXSA-N 2 0 302.462 2.572 20 0 DFADRP Cc1ccc(-c2nn(C)cc2C[NH+]2CCC(C[NH+](C)C)CC2)o1 ZINC000648001813 431772479 /nfs/dbraw/zinc/77/24/79/431772479.db2.gz LNLJCFRYJHKMBS-UHFFFAOYSA-N 2 0 316.449 2.762 20 0 DFADRP CC(C)[C@H](CO)[C@@H]([NH2+]Cc1ccnn1-c1cc[nH+]cc1)C(C)C ZINC000657482109 431776348 /nfs/dbraw/zinc/77/63/48/431776348.db2.gz QJNATMXGIUTEER-ROUUACIJSA-N 2 0 316.449 2.646 20 0 DFADRP C[N@H+](CCCC[NH2+]Cc1ccc(O[C@H]2CCOC2)cc1)C1CC1 ZINC000657486961 431778866 /nfs/dbraw/zinc/77/88/66/431778866.db2.gz DDDKPYXXPTZVEK-IBGZPJMESA-N 2 0 318.461 2.818 20 0 DFADRP CCC(C)(C)[C@H](C)[NH2+]CC(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000661230543 431787384 /nfs/dbraw/zinc/78/73/84/431787384.db2.gz CORTYXGKNMMBBT-DOTOQJQBSA-N 2 0 319.493 2.820 20 0 DFADRP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+]CCc1cnccc1C ZINC000657588375 431819673 /nfs/dbraw/zinc/81/96/73/431819673.db2.gz IDSLWJPQFDMCFT-UHFFFAOYSA-N 2 0 307.401 2.611 20 0 DFADRP CCc1ccc(C[NH2+]Cc2ccc(C[N@@H+]3CC[C@@H](O)C3)cc2)o1 ZINC000657597550 431820573 /nfs/dbraw/zinc/82/05/73/431820573.db2.gz UPIOEQLYULEKFG-QGZVFWFLSA-N 2 0 314.429 2.698 20 0 DFADRP C[NH+](C)C[C@@H](NC(=O)CCC(C)(C)[NH3+])c1ccc(Cl)cc1 ZINC000648154111 431826553 /nfs/dbraw/zinc/82/65/53/431826553.db2.gz ZITAHDNRDKCKKS-CQSZACIVSA-N 2 0 311.857 2.576 20 0 DFADRP Cc1ccc2c(c1)[C@@H]([NH2+]CCN1CCC([NH+](C)C)CC1)[C@@H](C)C2 ZINC000180712485 281091906 /nfs/dbraw/zinc/09/19/06/281091906.db2.gz NLFWJFHAKPMNMG-JXFKEZNVSA-N 2 0 315.505 2.844 20 0 DFADRP Cc1ccc2c(c1)[C@@H]([NH2+]CCN1CC[N@H+](C)C(C)(C)C1)[C@H](C)C2 ZINC000282397547 281092007 /nfs/dbraw/zinc/09/20/07/281092007.db2.gz RLWPLWAPKIEHDT-APWZRJJASA-N 2 0 315.505 2.844 20 0 DFADRP CCc1ccc([C@H](CNC(=O)CC[C@@H]2CCC[NH2+]2)[NH+](C)C)cc1 ZINC000292127448 281425868 /nfs/dbraw/zinc/42/58/68/281425868.db2.gz RCZDAVCWFWBAPS-ROUUACIJSA-N 2 0 317.477 2.500 20 0 DFADRP C[NH+](C)[C@H]1CCc2cc(NC(=O)NC(C)(C)CCC[NH3+])ccc21 ZINC000415782477 289136862 /nfs/dbraw/zinc/13/68/62/289136862.db2.gz FEJWKVFRGJAGKV-INIZCTEOSA-N 2 0 318.465 2.875 20 0 DFADRP C[C@H](CCCC[NH3+])NC(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C ZINC000415788509 289138229 /nfs/dbraw/zinc/13/82/29/289138229.db2.gz MPYICVPCZJHBHG-CXAGYDPISA-N 2 0 318.465 2.875 20 0 DFADRP CC(C)(CC[NH+]1CCCCCC1)NC(=O)N[C@H]1CCC[C@H]([NH3+])C1 ZINC000418568385 289149261 /nfs/dbraw/zinc/14/92/61/289149261.db2.gz BNVGPRYHRSLOLN-HOTGVXAUSA-N 2 0 324.513 2.600 20 0 DFADRP CC(C)(CC[NH+]1CCCCCC1)NC(=O)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000418568386 289149378 /nfs/dbraw/zinc/14/93/78/289149378.db2.gz BNVGPRYHRSLOLN-HZPDHXFCSA-N 2 0 324.513 2.600 20 0 DFADRP CCCN(CC[NH+]1CCCCCC1)C(=O)N[C@H]1CCC[C@H]([NH3+])C1 ZINC000418577517 289152801 /nfs/dbraw/zinc/15/28/01/289152801.db2.gz IHURBCVUNNDSAN-IRXDYDNUSA-N 2 0 324.513 2.554 20 0 DFADRP C[NH+](C)CC[C@@H](NC(=O)CC1(C[NH3+])CCCCC1)C(C)(C)C ZINC000184238827 289176327 /nfs/dbraw/zinc/17/63/27/289176327.db2.gz CMIXMWICMRFAGU-OAHLLOKOSA-N 2 0 311.514 2.768 20 0 DFADRP C[C@H]([NH2+][C@H]1CCC[C@@H]([NH+](C)C)C1)c1ccc(C(=O)N(C)C)cc1 ZINC000292367124 290048233 /nfs/dbraw/zinc/04/82/33/290048233.db2.gz YZINGKAUQPOXHP-JCGIZDLHSA-N 2 0 317.477 2.912 20 0 DFADRP CC[N@H+](C)C[C@H]1CCN(C(=O)Nc2c(C)cc(C)nc2C)C1 ZINC000436499941 297007079 /nfs/dbraw/zinc/00/70/79/297007079.db2.gz YFICQGFZIDHFNS-OAHLLOKOSA-N 2 0 304.438 2.812 20 0 DFADRP CCC[C@@H](C(=O)NC[C@H]1CCC[N@@H+]1C1CCCCC1)[NH+](C)C ZINC000437875489 297072774 /nfs/dbraw/zinc/07/27/74/297072774.db2.gz LRFCQPOSJMFRIT-SJORKVTESA-N 2 0 309.498 2.630 20 0 DFADRP C[C@@H](C[NH+]1CCC(OCC[NH+](C)C)CC1)c1ccc(F)cc1 ZINC000438116841 297080918 /nfs/dbraw/zinc/08/09/18/297080918.db2.gz NSBVPQRZYYXXOF-HNNXBMFYSA-N 2 0 308.441 2.972 20 0 DFADRP CC[NH+](CC)Cc1ccccc1C[NH2+][C@H]1CCC(=O)NC1(C)C ZINC000494874930 299886701 /nfs/dbraw/zinc/88/67/01/299886701.db2.gz ANGVADCPNFREKH-KRWDZBQOSA-N 2 0 317.477 2.675 20 0 DFADRP C[NH+](C)CCOC1CC[NH+](Cc2cc(Cl)cs2)CC1 ZINC000494973037 299894738 /nfs/dbraw/zinc/89/47/38/299894738.db2.gz AWAAXDCYZOWSMG-UHFFFAOYSA-N 2 0 302.871 2.944 20 0 DFADRP COc1ccc(CC[C@H](C)[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)cc1O ZINC000373789939 295121980 /nfs/dbraw/zinc/12/19/80/295121980.db2.gz YQUNOEPCGOSUNB-XIRDDKMYSA-N 2 0 318.461 2.938 20 0 DFADRP [NH3+]CC1(CC(=O)NCCC[NH+]2CCCCCC2)CCCCC1 ZINC000184220634 295222416 /nfs/dbraw/zinc/22/24/16/295222416.db2.gz MVUXKFGJSNUZCG-UHFFFAOYSA-N 2 0 309.498 2.668 20 0 DFADRP CN1CC[NH+](CCCC[NH2+][C@@H]2CCc3cc(Cl)ccc32)CC1 ZINC000154426110 295300145 /nfs/dbraw/zinc/30/01/45/295300145.db2.gz KPSOCHMYAIZGAU-GOSISDBHSA-N 2 0 321.896 2.945 20 0 DFADRP CC[NH+]1CCN([C@@H](C)C[NH2+][C@@H](C)c2ccc(C)cc2C)CC1 ZINC000155691096 295323455 /nfs/dbraw/zinc/32/34/55/295323455.db2.gz LSIMVXHKBHTJAZ-ROUUACIJSA-N 2 0 303.494 2.980 20 0 DFADRP COC(=O)c1cccc(C[N@@H+]2CC[C@H](Oc3ccncc3)C2)c1 ZINC000156345770 295334660 /nfs/dbraw/zinc/33/46/60/295334660.db2.gz NVCPKAVYVJJMCQ-KRWDZBQOSA-N 2 0 312.369 2.522 20 0 DFADRP C[C@H]([NH2+]C[C@H]1CCC[N@H+](C)C1)c1cccc(OCC[NH+](C)C)c1 ZINC000158148682 295359336 /nfs/dbraw/zinc/35/93/36/295359336.db2.gz IKPUXRWCASOTPF-DLBZAZTESA-N 3 0 319.493 2.619 20 0 DFADRP CC1CC[NH+](C[C@@H](O)C[NH2+][C@@H](Cc2ccccc2)C2CC2)CC1 ZINC000158870385 295368704 /nfs/dbraw/zinc/36/87/04/295368704.db2.gz FLDDTERQEBBVLI-PMACEKPBSA-N 2 0 316.489 2.690 20 0 DFADRP CCC[C@H]([NH2+]CC1CC[NH+](CCN(C)C)CC1)c1ccccn1 ZINC000159012098 295370942 /nfs/dbraw/zinc/37/09/42/295370942.db2.gz RCTAJKDSCSQZPD-SFHVURJKSA-N 2 0 318.509 2.786 20 0 DFADRP Cc1ccc(C[C@@H]([NH2+]CCCN2CC[NH+](C)CC2)C(C)C)cc1 ZINC000162575307 295414930 /nfs/dbraw/zinc/41/49/30/295414930.db2.gz CENZHZBKYTWVSJ-HXUWFJFHSA-N 2 0 317.521 2.789 20 0 DFADRP CC[NH+](CC)CCC[C@@H](C)NC(=O)C[C@@H](C)C1CC[NH2+]CC1 ZINC000163429665 295422568 /nfs/dbraw/zinc/42/25/68/295422568.db2.gz SRMQNYMPUYYLSR-HZPDHXFCSA-N 2 0 311.514 2.639 20 0 DFADRP CC1(C)CC(NC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)CC(C)(C)[NH2+]1 ZINC000440156089 297146035 /nfs/dbraw/zinc/14/60/35/297146035.db2.gz NWMVHVONQUZARV-MRXNPFEDSA-N 2 0 321.509 2.819 20 0 DFADRP CCc1nc(C)c([C@H](C)[NH2+]CCN2CC[N@H+](C)C(C)(C)C2)s1 ZINC000442864371 297208521 /nfs/dbraw/zinc/20/85/21/297208521.db2.gz CUKFLVSRLZSNQC-ZDUSSCGKSA-N 2 0 324.538 2.691 20 0 DFADRP CC[C@@H]([NH2+]CCN1CC[N@H+](C)C(C)(C)C1)c1cccc(OC)c1 ZINC000442860743 297208532 /nfs/dbraw/zinc/20/85/32/297208532.db2.gz CNRAKPPXYOHFLW-GOSISDBHSA-N 2 0 319.493 2.762 20 0 DFADRP CCc1ccc([C@@H](C)[NH2+]CCN2CC[N@H+](C)C(C)(C)C2)s1 ZINC000442878682 297209045 /nfs/dbraw/zinc/20/90/45/297209045.db2.gz UJXDKPSLBYLIHG-CQSZACIVSA-N 2 0 309.523 2.987 20 0 DFADRP CC(C)(C)c1ccccc1NC(=O)C[N@@H+]1CCC[C@H](CC[NH3+])C1 ZINC000443060340 297213985 /nfs/dbraw/zinc/21/39/85/297213985.db2.gz OUZGXZOMIPAYQW-OAHLLOKOSA-N 2 0 317.477 2.983 20 0 DFADRP Cc1ccccc1[C@H](C)NC(=O)[C@H](C)[N@@H+]1CCC[C@H](CC[NH3+])C1 ZINC000443059891 297214009 /nfs/dbraw/zinc/21/40/09/297214009.db2.gz NSKOZGIEXGMHPF-YESZJQIVSA-N 2 0 317.477 2.622 20 0 DFADRP CC(C)[C@H](NC(=O)C[N@@H+]1CCC[C@H](CC[NH3+])C1)c1ccccc1 ZINC000443058437 297214013 /nfs/dbraw/zinc/21/40/13/297214013.db2.gz ADHLTNHNOOPUIS-APWZRJJASA-N 2 0 317.477 2.561 20 0 DFADRP CSc1cccc(NC(=O)[C@@H](C)[N@@H+]2CCC[C@@H](CC[NH3+])C2)c1 ZINC000443063100 297214371 /nfs/dbraw/zinc/21/43/71/297214371.db2.gz VVALHKWDBHDXMJ-KGLIPLIRSA-N 2 0 321.490 2.796 20 0 DFADRP C[N@@H+]1CCN(CC[NH2+][C@@H]2CS[C@@H](C(C)(C)C)C2)CC1(C)C ZINC000443068375 297214870 /nfs/dbraw/zinc/21/48/70/297214870.db2.gz KNBBBOUUEPJPRL-LSDHHAIUSA-N 2 0 313.555 2.522 20 0 DFADRP Cc1sc(NC(=O)C[N@@H+]2CCC[C@@H](CC[NH3+])C2)c(C)c1C ZINC000443077421 297215178 /nfs/dbraw/zinc/21/51/78/297215178.db2.gz URNAIXPEPXSQCS-AWEZNQCLSA-N 2 0 309.479 2.673 20 0 DFADRP CC[NH+]1CCC([NH2+]CCN2CCc3c(Cl)cccc3C2)CC1 ZINC000443091444 297215452 /nfs/dbraw/zinc/21/54/52/297215452.db2.gz YECMPNAYKNIQLT-UHFFFAOYSA-N 2 0 321.896 2.772 20 0 DFADRP COC[C@H]([NH2+]C1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1)C1CCCC1 ZINC000446939181 297290732 /nfs/dbraw/zinc/29/07/32/297290732.db2.gz ZTXSKWJXSDJWKE-IPMKNSEASA-N 2 0 324.509 2.549 20 0 DFADRP C[C@](O)(C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)C1CC1 ZINC000447536292 297307237 /nfs/dbraw/zinc/30/72/37/297307237.db2.gz MFRZZNZQDSDZRE-YRPNKDGESA-N 2 0 314.473 2.933 20 0 DFADRP Cc1cc([C@@H](C)[NH2+]CC2CC[NH+](CCN(C)C)CC2)c(C)o1 ZINC000447562824 297308571 /nfs/dbraw/zinc/30/85/71/297308571.db2.gz NICTXPBXCFBPIB-OAHLLOKOSA-N 2 0 307.482 2.821 20 0 DFADRP OC[C@@H](CC(F)F)[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000447603719 297310641 /nfs/dbraw/zinc/31/06/41/297310641.db2.gz YRQYULMNBZSUDN-VQHPVUNQSA-N 2 0 324.415 2.788 20 0 DFADRP CC[C@H](C(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1)[NH+](CC)CC ZINC000448521101 297340807 /nfs/dbraw/zinc/34/08/07/297340807.db2.gz PVKWFECYARSMGL-JQHSSLGASA-N 2 0 321.509 2.582 20 0 DFADRP CC[NH+]1CCN([C@@H]2CC[N@H+](Cc3cccc4ccoc43)C2)CC1 ZINC000449023571 297392885 /nfs/dbraw/zinc/39/28/85/297392885.db2.gz SBOPYWQOQOOUFU-GOSISDBHSA-N 2 0 313.445 2.645 20 0 DFADRP CC(C)CN1CCO[C@H](C[NH2+]Cc2cccc3ccoc32)C1 ZINC000449062583 297399029 /nfs/dbraw/zinc/39/90/29/297399029.db2.gz YSLOAFVZYHWUIV-QGZVFWFLSA-N 2 0 302.418 2.879 20 0 DFADRP C[NH2+][C@H](CC(C)(C)C)C(=O)NC1CC[NH+](C2CCCC2)CC1 ZINC000449140087 297411599 /nfs/dbraw/zinc/41/15/99/297411599.db2.gz ICNIJQKWMFDPQK-MRXNPFEDSA-N 2 0 309.498 2.534 20 0 DFADRP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+][C@@H](C)C[C@H](C)O)CC1 ZINC000449233230 297426652 /nfs/dbraw/zinc/42/66/52/297426652.db2.gz KQDIOKFFZWSGNH-BBWFWOEESA-N 2 0 304.478 2.831 20 0 DFADRP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+]CCC[C@H](C)O)CC1 ZINC000449291596 297437714 /nfs/dbraw/zinc/43/77/14/297437714.db2.gz MPLMXDKRUDYRTA-SJORKVTESA-N 2 0 304.478 2.833 20 0 DFADRP CC[NH+]1CCN(CC(C)(C)[NH2+]Cc2cc(C)cc(C)c2)CC1 ZINC000449744514 297525116 /nfs/dbraw/zinc/52/51/16/297525116.db2.gz HQVROIZNGYRGDC-UHFFFAOYSA-N 2 0 303.494 2.809 20 0 DFADRP C[C@@H]1C[NH+](CC2CC[NH+](CC3CC(F)(F)C3)CC2)C[C@@H](C)O1 ZINC000450340407 297615400 /nfs/dbraw/zinc/61/54/00/297615400.db2.gz FLJVERLCNLKFKL-ZIAGYGMSSA-N 2 0 316.436 2.853 20 0 DFADRP CC[NH+]1CCN(CC(C)(C)[NH2+]CCCc2ccccc2)CC1 ZINC000451991716 297910225 /nfs/dbraw/zinc/91/02/25/297910225.db2.gz SSXQIWFGINZIPB-UHFFFAOYSA-N 2 0 303.494 2.625 20 0 DFADRP C[NH+](C)CCCN[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H]2CCC[C@H]21 ZINC000453053758 298057732 /nfs/dbraw/zinc/05/77/32/298057732.db2.gz GRAQDHYUEMCKSR-XUVXKRRUSA-N 2 0 315.505 2.971 20 0 DFADRP CO[C@H]1C[C@H]([NH2+]Cc2ccc(OCC[NH+](C)C)cc2)C12CCC2 ZINC000453068781 298059226 /nfs/dbraw/zinc/05/92/26/298059226.db2.gz SRMFMNVXAHCEHI-ROUUACIJSA-N 2 0 318.461 2.674 20 0 DFADRP CC[NH+]1CCN([C@@H](C)C[NH2+]C2CCc3ccccc3CC2)CC1 ZINC000453069180 298059305 /nfs/dbraw/zinc/05/93/05/298059305.db2.gz YSAMKRBRRRAOAS-KRWDZBQOSA-N 2 0 315.505 2.550 20 0 DFADRP CCN1CC[NH+](CCCC[NH2+][C@@H](C2CC2)C2CCCC2)CC1 ZINC000453098885 298061629 /nfs/dbraw/zinc/06/16/29/298061629.db2.gz XJJXTUWKSXEQTA-LJQANCHMSA-N 2 0 307.526 2.963 20 0 DFADRP COC1([C@H](C)[NH2+]CCCCC[NH+]2CCCCC2)CCOCC1 ZINC000453113042 298062780 /nfs/dbraw/zinc/06/27/80/298062780.db2.gz GFTUOZAKHHVZQJ-KRWDZBQOSA-N 2 0 312.498 2.816 20 0 DFADRP OCCCC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H]2CCC[C@@H]21 ZINC000453212327 298071213 /nfs/dbraw/zinc/07/12/13/298071213.db2.gz HVQXQWXZMNPDKU-QRVBRYPASA-N 2 0 302.462 2.792 20 0 DFADRP C[N@@H+]1CC[C@H]([NH2+][C@@H]2CCO[C@H](c3cccnc3)C2)[C@H]2CCC[C@@H]21 ZINC000453339404 298084866 /nfs/dbraw/zinc/08/48/66/298084866.db2.gz LWYQMTUDPTYEGO-GFEQUFNTSA-N 2 0 315.461 2.764 20 0 DFADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]CC(C)(C)C(C)(C)O)[C@@H](C)C1 ZINC000453381873 298088730 /nfs/dbraw/zinc/08/87/30/298088730.db2.gz XXTYZKMGGSTHDX-HOTGVXAUSA-N 2 0 314.514 2.510 20 0 DFADRP O[C@H]1CCC[C@@H]1C[NH2+][C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000453625927 298106788 /nfs/dbraw/zinc/10/67/88/298106788.db2.gz FPXBIJQOPIUBCJ-IVDHNXQLSA-N 2 0 314.473 2.648 20 0 DFADRP C[C@@H](Cn1ccnc1)[NH2+][C@@H](C)[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000496026548 300008969 /nfs/dbraw/zinc/00/89/69/300008969.db2.gz NPCOCKHQKGYMFK-KKUMJFAQSA-N 2 0 322.453 2.649 20 0 DFADRP COC(=O)Nc1ccc(CC[NH2+][C@@H]2CCCCC[C@H]2[NH3+])cc1 ZINC000496135399 300020174 /nfs/dbraw/zinc/02/01/74/300020174.db2.gz VVVZYKXEUHHVFY-HZPDHXFCSA-N 2 0 305.422 2.657 20 0 DFADRP CC[C@H]([NH2+][C@H](C)CCC[NH3+])[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000496179426 300026460 /nfs/dbraw/zinc/02/64/60/300026460.db2.gz QZUXLYKIYRDNAR-QLFBSQMISA-N 2 0 313.486 2.882 20 0 DFADRP CC[C@@H]([NH2+]CCc1ccc(NC(=O)OC)cc1)[C@@H]1CCCC[NH2+]1 ZINC000496923939 300133389 /nfs/dbraw/zinc/13/33/89/300133389.db2.gz HLYRTRNICYWZMX-SJORKVTESA-N 2 0 319.449 2.918 20 0 DFADRP CC[C@H]([NH2+]CC1=CC[NH2+]CC1)[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000496947730 300137140 /nfs/dbraw/zinc/13/71/40/300137140.db2.gz WBJDPOCAFDZERJ-JKSUJKDBSA-N 2 0 323.481 2.674 20 0 DFADRP C[C@H]([NH2+]C[C@@H]1CCC[C@@H]([NH3+])C1)c1cccc(N2CCOC2=O)c1 ZINC000496970785 300140567 /nfs/dbraw/zinc/14/05/67/300140567.db2.gz YMSNGPHCZBNBSH-SQWLQELKSA-N 2 0 317.433 2.811 20 0 DFADRP C[N@@H+]1CCC[C@@H](CC[NH2+]CC(C)(C)NC(=O)OC(C)(C)C)C1 ZINC000497136236 300167227 /nfs/dbraw/zinc/16/72/27/300167227.db2.gz ZHPLWYVEOHIUHR-AWEZNQCLSA-N 2 0 313.486 2.611 20 0 DFADRP CC[C@H](C[NH2+][C@@H]1CC[N@H+](CC)C[C@H]1C)NC(=O)OC(C)(C)C ZINC000497157760 300170496 /nfs/dbraw/zinc/17/04/96/300170496.db2.gz DNXRTLZBULUUBK-RBSFLKMASA-N 2 0 313.486 2.610 20 0 DFADRP C[C@H]([NH2+]C[C@@H]1CC[N@H+](CCc2ccccc2)C1)[C@H]1CCCOC1 ZINC000507489789 300236464 /nfs/dbraw/zinc/23/64/64/300236464.db2.gz YFQSDNRHMQFEPK-IHPCNDPISA-N 2 0 316.489 2.956 20 0 DFADRP C[C@H]([NH2+]C[C@@H]1CC[N@H+](CCc2ccccc2)C1)[C@@H]1CCCOC1 ZINC000507489792 300236517 /nfs/dbraw/zinc/23/65/17/300236517.db2.gz YFQSDNRHMQFEPK-YSIASYRMSA-N 2 0 316.489 2.956 20 0 DFADRP C[C@H]1C[N@H+](CC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)C(C)(C)C1 ZINC000354849831 300240680 /nfs/dbraw/zinc/24/06/80/300240680.db2.gz MAQCTGBHWFYAID-WBVHZDCISA-N 2 0 317.477 2.526 20 0 DFADRP COCCC[N@H+](C)CCNCc1[nH+]c(C(C)C)n2ccccc12 ZINC000514609571 300262148 /nfs/dbraw/zinc/26/21/48/300262148.db2.gz RBOVNIWTKKINNE-UHFFFAOYSA-N 2 0 318.465 2.516 20 0 DFADRP C[C@H]1C[C@H]([NH3+])CC[N@@H+]1CCC(=O)Nc1cccc2ccccc21 ZINC000514612102 300262678 /nfs/dbraw/zinc/26/26/78/300262678.db2.gz JTVWEUKZQYHQEW-GOEBONIOSA-N 2 0 311.429 2.980 20 0 DFADRP CCC[N@@H+]1CC[C@@H](C[NH2+]CCC(=O)Nc2ccc(Cl)cc2)C1 ZINC000514855818 300275649 /nfs/dbraw/zinc/27/56/49/300275649.db2.gz CHTOGIPJWNTRMP-AWEZNQCLSA-N 2 0 323.868 2.990 20 0 DFADRP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@@H+]2CC1Cc2ccccc2C1 ZINC000515099663 300289940 /nfs/dbraw/zinc/28/99/40/300289940.db2.gz NROVFFAMHAFDPP-AABGKKOBSA-N 2 0 314.473 2.585 20 0 DFADRP [NH3+][C@H]1CCC[C@H]([NH2+]C2CCN(Cc3ccc(F)cc3)CC2)C1 ZINC000515311554 300300448 /nfs/dbraw/zinc/30/04/48/300300448.db2.gz NMDAMPPGSVJKND-WMZOPIPTSA-N 2 0 305.441 2.650 20 0 DFADRP CC[NH+](CC)[C@H](CN[C@@H](C)[C@@H]1CCC[NH2+]C1)Cc1ccccc1 ZINC000515413258 300305648 /nfs/dbraw/zinc/30/56/48/300305648.db2.gz QOAXOKUHKCRNSP-SXLOBPIMSA-N 2 0 317.521 2.917 20 0 DFADRP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+]C[C@H]1CCOC(C)(C)C1 ZINC000515778394 300320176 /nfs/dbraw/zinc/32/01/76/300320176.db2.gz HMQRDNQLLQFLTP-HNNXBMFYSA-N 2 0 314.433 2.871 20 0 DFADRP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+]C[C@@H]1CCOC(C)(C)C1 ZINC000515778398 300320257 /nfs/dbraw/zinc/32/02/57/300320257.db2.gz HMQRDNQLLQFLTP-OAHLLOKOSA-N 2 0 314.433 2.871 20 0 DFADRP C[NH+](C)CC1CCC([NH2+]CCC(=O)Nc2cccc(F)c2)CC1 ZINC000515831965 300321756 /nfs/dbraw/zinc/32/17/56/300321756.db2.gz DQKICNQSWRWJHB-UHFFFAOYSA-N 2 0 321.440 2.864 20 0 DFADRP [NH3+]CCCCC(=O)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000515836429 300322209 /nfs/dbraw/zinc/32/22/09/300322209.db2.gz AVDBKSDCPBPOCL-MRXNPFEDSA-N 2 0 323.868 2.722 20 0 DFADRP C[C@H]([NH2+][C@@H]1CCN(C)[C@@H]1c1ccc(F)c(F)c1)[C@H]1CCC[NH2+]C1 ZINC000516046271 300327588 /nfs/dbraw/zinc/32/75/88/300327588.db2.gz UGCDOCZPONNXAD-MZTNWIODSA-N 2 0 323.431 2.688 20 0 DFADRP c1cc(N2CCC([NH2+]CCc3cnc(C4CC4)nc3)CC2)cc[nH+]1 ZINC000516254620 300336793 /nfs/dbraw/zinc/33/67/93/300336793.db2.gz SZANFBZJHOLRPJ-UHFFFAOYSA-N 2 0 323.444 2.550 20 0 DFADRP CC[NH+]1CCC(CC[NH2+]C[C@@H](O)CCc2ccccc2)CC1 ZINC000516276508 300337871 /nfs/dbraw/zinc/33/78/71/300337871.db2.gz BPOOXHQMIJNLSC-IBGZPJMESA-N 2 0 304.478 2.692 20 0 DFADRP C[N@H+](Cc1ccc2c(c1)C[NH2+]CC2)Cc1ccc2c(c1)OCCO2 ZINC000516300783 300338635 /nfs/dbraw/zinc/33/86/35/300338635.db2.gz IJHGGHMVNLOIAL-UHFFFAOYSA-N 2 0 324.424 2.736 20 0 DFADRP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+]Cc1cnc(C)cc1C ZINC000516621869 300351865 /nfs/dbraw/zinc/35/18/65/300351865.db2.gz IFOLCKRNTNBZDV-UHFFFAOYSA-N 2 0 307.401 2.877 20 0 DFADRP [NH3+][C@@H]1CCC[C@H]([NH2+]Cc2ccc(OCC[NH+]3CCCC3)cc2)C1 ZINC000516743572 300357808 /nfs/dbraw/zinc/35/78/08/300357808.db2.gz XDJOCOKMXQJOJH-MSOLQXFVSA-N 3 0 317.477 2.521 20 0 DFADRP CC[C@H](O)C[NH2+]C[C@@H]1CCN(C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000517025360 300378101 /nfs/dbraw/zinc/37/81/01/300378101.db2.gz OTFNTEKALLBGCP-XEZPLFJOSA-N 2 0 314.832 2.832 20 0 DFADRP OCC1([NH2+]CC2CC2)CC[NH+](C[C@@H]2C[C@H]2c2ccccc2)CC1 ZINC000517748101 300406187 /nfs/dbraw/zinc/40/61/87/300406187.db2.gz PPUQABKDMLXLCF-OALUTQOASA-N 2 0 314.473 2.617 20 0 DFADRP C[C@@H]([NH2+]Cc1ccc(OC2CCCC2)nc1)[C@H]1CCC[NH2+]C1 ZINC000521993103 300544143 /nfs/dbraw/zinc/54/41/43/300544143.db2.gz CGTXHRQXMYJEOW-ZBFHGGJFSA-N 2 0 303.450 2.881 20 0 DFADRP C[C@H]1CC[NH2+]CC[C@@H]1[NH2+]CCc1cccc2c1OC(F)(F)O2 ZINC000530216209 301029727 /nfs/dbraw/zinc/02/97/27/301029727.db2.gz OAVPBOIGHUSTCT-AAEUAGOBSA-N 2 0 312.360 2.528 20 0 DFADRP CO[C@H](Cc1ccc(F)cc1)C[N@@H+]1CC2(C[C@@H]1C)CC[NH2+]CC2 ZINC000530222987 301031530 /nfs/dbraw/zinc/03/15/30/301031530.db2.gz IYADKHUHSANPGP-MAUKXSAKSA-N 2 0 320.452 2.847 20 0 DFADRP Cc1ccc(-c2ccccc2C[NH+]2CCN(C)CC2)cc1C[NH3+] ZINC000530247865 301033634 /nfs/dbraw/zinc/03/36/34/301033634.db2.gz CSNPCNWAUIOFGM-UHFFFAOYSA-N 2 0 309.457 2.868 20 0 DFADRP C[C@@H](Cc1ccccc1)C[NH+]1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000530248317 301033662 /nfs/dbraw/zinc/03/36/62/301033662.db2.gz IUPMQGIIUVDSPT-PXNSSMCTSA-N 2 0 316.489 2.956 20 0 DFADRP CC[NH+]1CCN(CCC[NH2+][C@H](C)c2ccc(C)cc2OC)CC1 ZINC000531687252 301104090 /nfs/dbraw/zinc/10/40/90/301104090.db2.gz WJFIWXBSKFIUGD-QGZVFWFLSA-N 2 0 319.493 2.682 20 0 DFADRP C[NH+](C)CCN1CCC([NH2+][C@@H]2CCc3c2cccc3Cl)CC1 ZINC000531691841 301104232 /nfs/dbraw/zinc/10/42/32/301104232.db2.gz QOIQKLGIWPFRDY-GOSISDBHSA-N 2 0 321.896 2.943 20 0 DFADRP CC[C@H]([NH2+][C@@H](CN1CC[NH+](C)CC1)c1ccccc1)C1CC1 ZINC000531710385 301105071 /nfs/dbraw/zinc/10/50/71/301105071.db2.gz BIDVLSRMCSLEFY-OALUTQOASA-N 2 0 301.478 2.753 20 0 DFADRP C[C@@H]1CC[N@H+](CCNC2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000531729111 301106421 /nfs/dbraw/zinc/10/64/21/301106421.db2.gz ZHSFCDCZWFZVCN-GOSISDBHSA-N 2 0 315.505 2.625 20 0 DFADRP CC(C)C[NH+]1CCC([NH2+]C2CCC(O)(C(F)(F)F)CC2)CC1 ZINC000531941624 301120631 /nfs/dbraw/zinc/12/06/31/301120631.db2.gz HMTXFEDNLGPTSS-UHFFFAOYSA-N 2 0 322.415 2.932 20 0 DFADRP C[C@H]([NH2+]CCCN1CCN(c2cc[nH+]cc2)CC1)c1ccoc1 ZINC000531963129 301121609 /nfs/dbraw/zinc/12/16/09/301121609.db2.gz ITBLKNYZGMQFPQ-INIZCTEOSA-N 2 0 314.433 2.538 20 0 DFADRP CC[C@H]1CCC[C@@H]1[NH2+]Cc1ccc(N2CC[NH+](CC)CC2)nc1 ZINC000532192987 301136095 /nfs/dbraw/zinc/13/60/95/301136095.db2.gz BVHGTWUDWKOGID-ROUUACIJSA-N 2 0 316.493 2.892 20 0 DFADRP C[C@@H]([NH2+]C[C@@H]1CCC[N@H+](C)C1)c1ccc2c(c1)CCC(=O)N2 ZINC000532505382 301156860 /nfs/dbraw/zinc/15/68/60/301156860.db2.gz DFFGKRUMMWLPIW-KGLIPLIRSA-N 2 0 301.434 2.564 20 0 DFADRP O[C@H]1CCC[C@H]1[NH+]1CCC([NH2+]Cc2cccc3cc[nH]c32)CC1 ZINC000532627218 301163742 /nfs/dbraw/zinc/16/37/42/301163742.db2.gz FUFVKURMWPSEGG-MSOLQXFVSA-N 2 0 313.445 2.635 20 0 DFADRP CCC(C)(C)[NH2+][C@H](C)C(=O)Nc1cc(C[NH+](C)C)ccc1OC ZINC000534309149 301226665 /nfs/dbraw/zinc/22/66/65/301226665.db2.gz OXBSBIPTZDEWBZ-CYBMUJFWSA-N 2 0 321.465 2.862 20 0 DFADRP C[N@@H+]1CCC[C@@H]1CC[NH+]1CCC[C@@H](CC(=O)OC(C)(C)C)C1 ZINC000534315754 301227569 /nfs/dbraw/zinc/22/75/69/301227569.db2.gz VEQNCOBPPAHTKY-JKSUJKDBSA-N 2 0 310.482 2.915 20 0 DFADRP C[C@@H]([NH2+]C[C@H](C)N1CC[NH+](C)CC1)c1ccc(Cl)c(F)c1 ZINC000535066163 301246692 /nfs/dbraw/zinc/24/66/92/301246692.db2.gz DYFIPQPFPMITIU-QWHCGFSZSA-N 2 0 313.848 2.766 20 0 DFADRP CC[NH+]1CCN([C@H]2CC[N@H+](C[C@@H]3CCCC(C)(C)C3)C2)CC1 ZINC000535087293 301248618 /nfs/dbraw/zinc/24/86/18/301248618.db2.gz JMHBHSGDNBIYNT-MSOLQXFVSA-N 2 0 307.526 2.915 20 0 DFADRP CC[C@H]([NH2+]CCCC[NH+]1CCN(C)CC1)c1ccccc1F ZINC000538709365 301328778 /nfs/dbraw/zinc/32/87/78/301328778.db2.gz SZTRCWVTMGQYNW-SFHVURJKSA-N 2 0 307.457 2.894 20 0 DFADRP CC[N@H+](CCC1CCN(C(=O)[C@H]2CC[NH+](C)C2)CC1)CC(C)C ZINC000540237356 301360478 /nfs/dbraw/zinc/36/04/78/301360478.db2.gz UERCYJYAWSIXSM-SFHVURJKSA-N 2 0 323.525 2.545 20 0 DFADRP C[NH+]1CCN(C[C@@H]([NH2+][C@@H]2CCC23CCC3)c2ccccc2)CC1 ZINC000548861167 301619720 /nfs/dbraw/zinc/61/97/20/301619720.db2.gz MZVDVFDKTSKVLU-RTBURBONSA-N 2 0 313.489 2.897 20 0 DFADRP CCC1CCC([NH2+]CC(=O)NCC[NH+]2CCCCCC2)CC1 ZINC000556890331 301818817 /nfs/dbraw/zinc/81/88/17/301818817.db2.gz XKGNRTIWMWKKCI-UHFFFAOYSA-N 2 0 309.498 2.537 20 0 DFADRP [NH3+][C@@H](CCC(=O)NCC1([NH3+])CCCCCC1)c1ccccc1 ZINC000562805153 302004541 /nfs/dbraw/zinc/00/45/41/302004541.db2.gz ZTNVBSKPEHOFQM-INIZCTEOSA-N 2 0 303.450 2.635 20 0 DFADRP C[C@H]1C[C@H](NC(=O)NCC[NH2+]C2CCCCCC2)c2nccn21 ZINC000562818194 302005825 /nfs/dbraw/zinc/00/58/25/302005825.db2.gz IQUQRAGLBFKYQY-ZFWWWQNUSA-N 2 0 319.453 2.501 20 0 DFADRP COc1ccc([C@H](C[NH3+])C[NH2+][C@@H]2CCCC23CCOCC3)cc1 ZINC000562838159 302008089 /nfs/dbraw/zinc/00/80/89/302008089.db2.gz ASHAVDSSXZPFLW-SJLPKXTDSA-N 2 0 318.461 2.676 20 0 DFADRP C[C@@H](CCc1ccccc1)C[N@H+](C)CCCN1CC[NH+](C)CC1 ZINC000562902553 302011656 /nfs/dbraw/zinc/01/16/56/302011656.db2.gz YLYXIDKBBUFSGP-IBGZPJMESA-N 2 0 317.521 2.825 20 0 DFADRP Cc1noc(C[C@H]([NH2+][C@@H](C)[C@H]2CCC[NH2+]C2)c2ccccc2)n1 ZINC000562957066 302017236 /nfs/dbraw/zinc/01/72/36/302017236.db2.gz LMMSDYRWDUOSID-JQFCIGGWSA-N 2 0 314.433 2.640 20 0 DFADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]CCc1nc(-c2ccncc2)cs1 ZINC000562960439 302018831 /nfs/dbraw/zinc/01/88/31/302018831.db2.gz XXENWZIUQSSERO-GJZGRUSLSA-N 2 0 316.474 2.855 20 0 DFADRP C[NH+](C)CC1CCC([NH2+]CCC(=O)Nc2ccccc2)CC1 ZINC000562994819 302022726 /nfs/dbraw/zinc/02/27/26/302022726.db2.gz GAGWVXVFQWCNCC-UHFFFAOYSA-N 2 0 303.450 2.725 20 0 DFADRP CC1CC[NH+](C2CCC([NH2+]C[C@@](C)(O)C(F)(F)F)CC2)CC1 ZINC000562997247 302023326 /nfs/dbraw/zinc/02/33/26/302023326.db2.gz RBWWQRNLKFXTGR-YMAMQOFZSA-N 2 0 322.415 2.932 20 0 DFADRP CC[NH+](CC)CCO[C@@H]1CC[N@H+](CCc2ncc(C)cc2C)C1 ZINC000563042792 302030240 /nfs/dbraw/zinc/03/02/40/302030240.db2.gz ARHBXVNHZOSRQU-GOSISDBHSA-N 2 0 319.493 2.674 20 0 DFADRP CC(C)C[C@@H](CNC(=O)[C@H]([NH3+])C(C)C)[NH2+][C@@H](C)c1ccccc1 ZINC000563074928 302034444 /nfs/dbraw/zinc/03/44/44/302034444.db2.gz UOEPXNHVGOJHRU-RYQLBKOJSA-N 2 0 319.493 2.851 20 0 DFADRP CCC[N@H+](CC)Cc1ccc(C(=O)N2CC[C@H]([NH3+])C[C@H]2C)cc1 ZINC000563349377 302064680 /nfs/dbraw/zinc/06/46/80/302064680.db2.gz HQFCSDJEKDSRML-QAPCUYQASA-N 2 0 317.477 2.870 20 0 DFADRP C[C@H]1C[C@H]([NH3+])CC[N@@H+]1Cc1cccc(OCc2ccccn2)c1 ZINC000563351408 302064768 /nfs/dbraw/zinc/06/47/68/302064768.db2.gz YZQYRBPCIIFDJV-DOTOQJQBSA-N 2 0 311.429 2.972 20 0 DFADRP CC1CC[NH+](C[C@H]2CCC[N@H+](CCCc3cncn3C)C2)CC1 ZINC000563355944 302066180 /nfs/dbraw/zinc/06/61/80/302066180.db2.gz OKAVBIVOMVTSAY-SFHVURJKSA-N 2 0 318.509 2.797 20 0 DFADRP C[C@H]1C[N@H+](CCCc2cncn2C)CCN1Cc1ccccc1 ZINC000563366898 302066957 /nfs/dbraw/zinc/06/69/57/302066957.db2.gz KFQHIGZGLSUQFI-KRWDZBQOSA-N 2 0 312.461 2.559 20 0 DFADRP Cn1nccc1[C@H]1[C@H](C[NH2+][C@H]2CCC[C@H]2CCF)CCCN1C ZINC000563465652 302075762 /nfs/dbraw/zinc/07/57/62/302075762.db2.gz XJQUHHGDJAHVKO-NBOOPKSLSA-N 2 0 322.472 2.921 20 0 DFADRP CC(C)(C)[N@@H+]1CCCN(C(=O)Nc2ccc3c(c2)C[NH2+]C3)CC1 ZINC000563507032 302078265 /nfs/dbraw/zinc/07/82/65/302078265.db2.gz BLCGJNRHJQYMQD-UHFFFAOYSA-N 2 0 316.449 2.628 20 0 DFADRP Cc1ccc(OC[C@@H](O)C[NH2+]CC[C@@H](C)[NH+]2CCCCC2)cc1 ZINC000564077807 302117229 /nfs/dbraw/zinc/11/72/29/302117229.db2.gz WEWSYXODXGAVCB-MSOLQXFVSA-N 2 0 320.477 2.589 20 0 DFADRP CC(C)[C@@H]([NH2+]Cc1ccncc1OCCC[NH+](C)C)C1CC1 ZINC000564152515 302120713 /nfs/dbraw/zinc/12/07/13/302120713.db2.gz NSWPVSASZDHUJF-GOSISDBHSA-N 2 0 305.466 2.936 20 0 DFADRP C[C@@H]([NH2+]CC1CCN(c2ccccc2)CC1)[C@H]1CCC[NH2+]C1 ZINC000564823383 302161337 /nfs/dbraw/zinc/16/13/37/302161337.db2.gz PNDRAMXIOPEARS-AEFFLSMTSA-N 2 0 301.478 2.881 20 0 DFADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]C[C@]1(C)CCO[C@H]1C1CC1 ZINC000564826618 302161775 /nfs/dbraw/zinc/16/17/75/302161775.db2.gz YZWCOCCVLNMAQC-IGNZVWTISA-N 2 0 303.450 2.705 20 0 DFADRP C[C@@H]1CCCC[N@@H+]1CCCC[NH2+]C[C@H](O)COc1ccccc1 ZINC000564845971 302163487 /nfs/dbraw/zinc/16/34/87/302163487.db2.gz YAQWLAREBHYPLC-MSOLQXFVSA-N 2 0 320.477 2.671 20 0 DFADRP CC(C)C[N@@H+]1CC[C@H](C[NH2+]C[C@@H](O)CCc2ccccc2)C1 ZINC000564850276 302164154 /nfs/dbraw/zinc/16/41/54/302164154.db2.gz RUSAMNFJPDSPCM-MOPGFXCFSA-N 2 0 304.478 2.548 20 0 DFADRP Cc1nn(-c2ccc(F)cc2)c(C)c1C[NH2+][C@@H](C)C[C@H](C)[NH3+] ZINC000564973745 302178299 /nfs/dbraw/zinc/17/82/99/302178299.db2.gz QRFLTVVCYHXPTR-RYUDHWBXSA-N 2 0 304.413 2.844 20 0 DFADRP Cc1ccc(C[N@H+]2CC[C@H](CN(C)Cc3cc[nH]n3)C2)s1 ZINC000565046740 302188784 /nfs/dbraw/zinc/18/87/84/302188784.db2.gz BECWILUXGUIVBK-CQSZACIVSA-N 2 0 304.463 2.734 20 0 DFADRP CC(C)c1[nH+]c(CN2CC[C@@H]3CC[N@H+](C)C[C@H]32)c2ccccn21 ZINC000565083370 302192841 /nfs/dbraw/zinc/19/28/41/302192841.db2.gz NGZHZAWMFHAUGU-MAUKXSAKSA-N 2 0 312.461 2.984 20 0 DFADRP C[NH+]1CCN(c2cc[nH+]cc2NCc2ccc3[nH]ccc3c2)CC1 ZINC000565218819 302209106 /nfs/dbraw/zinc/20/91/06/302209106.db2.gz RSZHRWAVCFZDGA-UHFFFAOYSA-N 2 0 321.428 2.927 20 0 DFADRP C[C@@H]([NH2+][C@@H](C)c1ccc2c(c1)CCC(=O)N2)[C@@H]1CCC[NH2+]C1 ZINC000565298507 302216362 /nfs/dbraw/zinc/21/63/62/302216362.db2.gz WNGGTANQQPDAQB-WOSRLPQWSA-N 2 0 301.434 2.610 20 0 DFADRP C[NH+](C)C1CC([NH2+]C2CCN(Cc3ccc(Cl)cc3)CC2)C1 ZINC000565491973 302227588 /nfs/dbraw/zinc/22/75/88/302227588.db2.gz OYDORYFOMXQXJQ-UHFFFAOYSA-N 2 0 321.896 2.987 20 0 DFADRP O=C(Nc1ccc(C[NH+]2CCCC2)cc1)[C@@]12CCC[C@@H]1C[NH2+]C2 ZINC000565538905 302229131 /nfs/dbraw/zinc/22/91/31/302229131.db2.gz XESNOVXQOXWYJA-VQIMIIECSA-N 2 0 313.445 2.611 20 0 DFADRP CN(CC[C@@H]1CCCC[N@@H+]1C)Cc1ccc2c(c1)C[NH2+]CC2 ZINC000565657168 302235729 /nfs/dbraw/zinc/23/57/29/302235729.db2.gz BRMMVCFMYOXMTD-IBGZPJMESA-N 2 0 301.478 2.639 20 0 DFADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+]Cc1cc(-n2ccnc2)cs1 ZINC000565704782 302238875 /nfs/dbraw/zinc/23/88/75/302238875.db2.gz IVIXYZCTBHIDNK-ZAQWFSBCSA-N 2 0 302.447 2.539 20 0 DFADRP CCO[C@H]1C[C@H]([NH2+]CC2([NH3+])CCCCCC2)C12CCOCC2 ZINC000565827637 302243866 /nfs/dbraw/zinc/24/38/66/302243866.db2.gz QZQCYTAFOUCEOT-HOTGVXAUSA-N 2 0 310.482 2.602 20 0 DFADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+][C@@H]1CCCC12CCOCC2 ZINC000565827556 302244015 /nfs/dbraw/zinc/24/40/15/302244015.db2.gz BIXYFYZUJJPSMX-WMLDXEAASA-N 2 0 303.450 2.849 20 0 DFADRP CC(C)C[N@@H+]1CC[C@H](C[NH2+]C[C@@H](O)[C@@H](C)c2ccccc2)C1 ZINC000565887590 302247079 /nfs/dbraw/zinc/24/70/79/302247079.db2.gz WQCZLTBAUMROQB-YQVWRLOYSA-N 2 0 304.478 2.719 20 0 DFADRP C[C@H](C[NH2+]C[C@H](O)[C@H](C)c1ccccc1)C[NH+]1CCCCC1 ZINC000566107371 302260283 /nfs/dbraw/zinc/26/02/83/302260283.db2.gz JRQWUXYGEFLMPV-LMMKCTJWSA-N 2 0 304.478 2.863 20 0 DFADRP CC(C)C[N@@H+]1CCC[C@@H](C[NH2+]C[C@@H](O)CCc2ccccc2)C1 ZINC000566114536 302260442 /nfs/dbraw/zinc/26/04/42/302260442.db2.gz IZPINZIHWADANS-PMACEKPBSA-N 2 0 318.505 2.938 20 0 DFADRP CC(C)CCC[C@@H](C)NC(=O)C[NH+]1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000566243392 302269316 /nfs/dbraw/zinc/26/93/16/302269316.db2.gz UNXWGMIAJQBJHB-SJLPKXTDSA-N 2 0 323.525 2.639 20 0 DFADRP CCOc1ccc(OCC[NH+]2CCC([C@H]3CC[NH2+]C3)CC2)cc1 ZINC000566242028 302269568 /nfs/dbraw/zinc/26/95/68/302269568.db2.gz DYOAYOVFGQVJFT-KRWDZBQOSA-N 2 0 318.461 2.786 20 0 DFADRP C[C@@H]1C[C@H]([NH3+])CC[N@@H+]1Cc1cccc(OCC(F)(F)F)c1 ZINC000566412604 302284843 /nfs/dbraw/zinc/28/48/43/302284843.db2.gz XVQABMNMIKLCEM-DGCLKSJQSA-N 2 0 302.340 2.939 20 0 DFADRP Oc1cccnc1C[N@H+]1C[C@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1 ZINC000566535142 302293186 /nfs/dbraw/zinc/29/31/86/302293186.db2.gz VICQCUXWUWFCDX-QZTJIDSGSA-N 2 0 323.440 2.741 20 0 DFADRP CCc1cccc(OC[C@H](O)C[NH2+][C@H](C)C(C)(C)C[NH+](C)C)c1 ZINC000566673636 302302793 /nfs/dbraw/zinc/30/27/93/302302793.db2.gz UVYOIYGHKIIBHS-NVXWUHKLSA-N 2 0 322.493 2.555 20 0 DFADRP CC(C)[NH+](CCCNC(=O)[C@@H]1CCCCCC[C@@H]1[NH3+])C(C)C ZINC000566676435 302303214 /nfs/dbraw/zinc/30/32/14/302303214.db2.gz NFQIQKRHHYVVDT-SJORKVTESA-N 2 0 311.514 2.909 20 0 DFADRP Cc1ccc2[nH]c(CN(CC[NH+](C)C)CC[NH+](C)C)cc2c1C ZINC000566765413 302310118 /nfs/dbraw/zinc/31/01/18/302310118.db2.gz SYIBCRYFAVRXKF-UHFFFAOYSA-N 2 0 316.493 2.710 20 0 DFADRP COCC1([NH2+][C@H]2CC3(CC[NH+](C)CC3)Oc3ccccc32)CC1 ZINC000566773662 302310592 /nfs/dbraw/zinc/31/05/92/302310592.db2.gz SCGGYGAQOOKOSC-INIZCTEOSA-N 2 0 316.445 2.743 20 0 DFADRP C[C@@H](NC(=O)C[N@@H+]1CCC(C)(C)C1)[C@H](c1ccccc1)[NH+](C)C ZINC000566866396 302318587 /nfs/dbraw/zinc/31/85/87/302318587.db2.gz SHXSHVDUDIRSMX-CRAIPNDOSA-N 2 0 317.477 2.526 20 0 DFADRP CCc1cnc(CN2CCC(Oc3ccncc3C)CC2)o1 ZINC000567225493 302343392 /nfs/dbraw/zinc/34/33/92/302343392.db2.gz NKPXJJLQJVRBAM-UHFFFAOYSA-N 2 0 301.390 2.984 20 0 DFADRP C[C@@H](CCc1n[nH]c2ccccc21)[NH2+]C[C@]1(C)CCC[NH2+]C1 ZINC000567471856 302361447 /nfs/dbraw/zinc/36/14/47/302361447.db2.gz PRGSIXTVFSKWHR-KBXCAEBGSA-N 2 0 300.450 2.863 20 0 DFADRP COc1cc(C[NH2+][C@@H]2CC[NH2+]CC[C@@H]2C)ccc1OC(F)F ZINC000567490030 302363392 /nfs/dbraw/zinc/36/33/92/302363392.db2.gz DRKXQMBCFYMMGP-WCQYABFASA-N 2 0 314.376 2.774 20 0 DFADRP C[C@@H]1CN(C[C@@H](O)C[NH2+]CC(C)(C)C2=CCCCC2)C[C@H](C)O1 ZINC000567582997 302370162 /nfs/dbraw/zinc/37/01/62/302370162.db2.gz KJPAIBXXXHGWDD-JZXOWHBKSA-N 2 0 324.509 2.573 20 0 DFADRP Cc1nn2c(CN3C[C@@H](C)[C@](C)(C[NH3+])C3)c(C(C)C)nc2s1 ZINC000567589516 302370727 /nfs/dbraw/zinc/37/07/27/302370727.db2.gz CUAMBJJOJGEAQJ-BDJLRTHQSA-N 2 0 321.494 2.639 20 0 DFADRP C[NH+](C)CCc1ccc(C[NH2+]C[C@@H](O)C2CCCCC2)cc1 ZINC000567700343 302381595 /nfs/dbraw/zinc/38/15/95/302381595.db2.gz JYVHPAFUXGXZLR-LJQANCHMSA-N 2 0 304.478 2.822 20 0 DFADRP CC(C)[NH2+]CCCN[C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000567723916 302384478 /nfs/dbraw/zinc/38/44/78/302384478.db2.gz BHFYQLBGNXNHNO-HKUYNNGSSA-N 3 0 303.494 2.875 20 0 DFADRP O=C(Nc1ccc(CC[NH+]2CCCC2)cc1)[C@@H]1CCCCC[NH2+]1 ZINC000568397905 302447549 /nfs/dbraw/zinc/44/75/49/302447549.db2.gz GAYNQSBAEFXMHT-SFHVURJKSA-N 2 0 315.461 2.796 20 0 DFADRP CC[NH+]1CCN([C@@H](C)C[NH2+][C@@H](C)[C@@H]2C[C@H]2c2ccccc2)CC1 ZINC000569125504 302501349 /nfs/dbraw/zinc/50/13/49/302501349.db2.gz OTYONUJIUBIHBV-ZULIPRJHSA-N 2 0 315.505 2.794 20 0 DFADRP CC[NH+](CC)[C@@H](C(=O)N(C)[C@H]1CCC[NH2+]CC1)c1ccccc1 ZINC000570804876 302593529 /nfs/dbraw/zinc/59/35/29/302593529.db2.gz FSVWYMHKHDVIKF-ZWKOTPCHSA-N 2 0 317.477 2.670 20 0 DFADRP Cc1ccc(Cl)cc1NC(=O)C[C@@H](C)[NH2+]CC1=CC[NH2+]CC1 ZINC000571037973 302602336 /nfs/dbraw/zinc/60/23/36/302602336.db2.gz WLDHZOKCCYRKEL-CYBMUJFWSA-N 2 0 321.852 2.875 20 0 DFADRP C[NH+](C)CCc1ccc(C[NH2+]C[C@@H](O)CC2CCCC2)cc1 ZINC000572476184 302664541 /nfs/dbraw/zinc/66/45/41/302664541.db2.gz LDOYFEFQIYTCBF-IBGZPJMESA-N 2 0 304.478 2.822 20 0 DFADRP Cc1ncncc1[C@@H](C)[NH2+]Cc1ccc(F)c(C[NH+](C)C)c1 ZINC000572662009 302675432 /nfs/dbraw/zinc/67/54/32/302675432.db2.gz YISJXSHRIWDHQG-GFCCVEGCSA-N 2 0 302.397 2.837 20 0 DFADRP C[C@H]([NH2+]C[C@H]1CCN(c2ccc(F)cc2)C1)[C@@H]1CCC[NH2+]C1 ZINC000573792989 302723579 /nfs/dbraw/zinc/72/35/79/302723579.db2.gz CRFKLUOEWKIQLB-ARFHVFGLSA-N 2 0 305.441 2.630 20 0 DFADRP C[C@H]([NH2+]C[C@H]1CCN(c2ccc(F)cc2)C1)[C@H]1CCC[NH2+]C1 ZINC000573792996 302723629 /nfs/dbraw/zinc/72/36/29/302723629.db2.gz CRFKLUOEWKIQLB-XHSDSOJGSA-N 2 0 305.441 2.630 20 0 DFADRP [NH3+]C[C@@H]1CC[C@@H]([NH2+][C@H]2CCCc3nn(-c4ccccc4)cc32)C1 ZINC000573953156 302732439 /nfs/dbraw/zinc/73/24/39/302732439.db2.gz LJKVFQMVYWUIJT-RKVPGOIHSA-N 2 0 310.445 2.967 20 0 DFADRP [NH3+]C1(C(=O)NC[C@@H](c2cccs2)[NH+]2CCCC2)CCCCC1 ZINC000237924656 303355521 /nfs/dbraw/zinc/35/55/21/303355521.db2.gz FIFYUPTZFOEVHY-AWEZNQCLSA-N 2 0 321.490 2.663 20 0 DFADRP C[C@H]([NH2+]CC1CC[NH+](C)CC1)c1ncc(Br)s1 ZINC000179225719 316003174 /nfs/dbraw/zinc/00/31/74/316003174.db2.gz KZLYIJAAAKYOHP-VIFPVBQESA-N 2 0 318.284 2.898 20 0 DFADRP C[C@@H]([NH2+]CCCC[NH2+][C@@H](C)C1CCOCC1)C1CCOCC1 ZINC000179851904 316020196 /nfs/dbraw/zinc/02/01/96/316020196.db2.gz TYZJATAYHWRSNB-IYBDPMFKSA-N 2 0 312.498 2.576 20 0 DFADRP CC[NH+]1CCN(CCC[NH2+][C@@H](C)c2cccc(F)c2F)CC1 ZINC000183222670 316134589 /nfs/dbraw/zinc/13/45/89/316134589.db2.gz WRMHLSDLVZZOPJ-AWEZNQCLSA-N 2 0 311.420 2.643 20 0 DFADRP CC1(C)CC[C@@H](CNc2ncnc3c2cnn3-c2ccncc2)O1 ZINC000186004623 316195408 /nfs/dbraw/zinc/19/54/08/316195408.db2.gz HVSVKPSSSDYHJN-ZDUSSCGKSA-N 2 0 324.388 2.580 20 0 DFADRP COC[C@@H]([NH2+]CCC[N@H+](C)C1CCCCC1)C1CCOCC1 ZINC000187722251 316212892 /nfs/dbraw/zinc/21/28/92/316212892.db2.gz PDANEQIVQZVQCX-GOSISDBHSA-N 2 0 312.498 2.672 20 0 DFADRP C[C@H]1C[C@@H](C(=O)Nc2ccc(C[NH+]3CCCC3)cc2)CC[NH2+]1 ZINC000318259666 316248680 /nfs/dbraw/zinc/24/86/80/316248680.db2.gz ISXCFLXVMOIMMK-HOCLYGCPSA-N 2 0 301.434 2.609 20 0 DFADRP CC(C)[N@@H+]1CC[C@@H](C[NH2+]C2CCN(c3ccccc3)CC2)C1 ZINC000318833431 316249960 /nfs/dbraw/zinc/24/99/60/316249960.db2.gz XYWWUFMNUPYQFF-KRWDZBQOSA-N 2 0 301.478 2.975 20 0 DFADRP C[NH+](C)Cc1ccc(NC(=O)[C@H]([NH3+])CC2CCCCC2)cc1 ZINC000319585194 316251362 /nfs/dbraw/zinc/25/13/62/316251362.db2.gz STEMOINLFQPZRJ-QGZVFWFLSA-N 2 0 303.450 2.984 20 0 DFADRP [NH3+][C@@H](CCC(=O)N1CC[C@H]([NH+]2CCCCC2)C1)c1ccccc1 ZINC000321394264 316256424 /nfs/dbraw/zinc/25/64/24/316256424.db2.gz OZNVQGFJCWYIST-ROUUACIJSA-N 2 0 315.461 2.553 20 0 DFADRP [NH3+][C@@H](Cc1ccccc1)C(=O)Nc1ccc(C[NH+]2CCCC2)cc1 ZINC000324756590 316261152 /nfs/dbraw/zinc/26/11/52/316261152.db2.gz TYJGIMYNMZYCJS-IBGZPJMESA-N 2 0 323.440 2.791 20 0 DFADRP C[N@H+](C[C@@H]1CC[NH+](Cc2ccccc2)C1)C[C@H]1CCCC[C@H]1O ZINC000328366772 316263582 /nfs/dbraw/zinc/26/35/82/316263582.db2.gz RFYSSUYOQHNNIB-XUVXKRRUSA-N 2 0 316.489 2.991 20 0 DFADRP C[N@@H+]1CC[C@@H](c2nc(-c3ccccc3C[NH+]3CCCC3)no2)C1 ZINC000349925230 316370969 /nfs/dbraw/zinc/37/09/69/316370969.db2.gz CACNRGSPQBEUSO-OAHLLOKOSA-N 2 0 312.417 2.752 20 0 DFADRP CC[NH+]1CCN(c2ccccc2C[NH2+][C@H]2CS[C@H](C)C2)CC1 ZINC000414502812 316612869 /nfs/dbraw/zinc/61/28/69/316612869.db2.gz VDMQOICCOFIFIF-NVXWUHKLSA-N 2 0 319.518 2.812 20 0 DFADRP c1ccc([C@H]2CCCC[C@@H]([NH2+]CCCN3CC[NH2+]CC3)C2)cc1 ZINC000414775486 316651050 /nfs/dbraw/zinc/65/10/50/316651050.db2.gz CUGVIKDANYJPNX-VQTJNVASSA-N 2 0 315.505 2.988 20 0 DFADRP Cc1nn(-c2ccc(F)cc2)cc1C[NH2+][C@H]1CCC[C@@H]1C[NH3+] ZINC000414791553 316658874 /nfs/dbraw/zinc/65/88/74/316658874.db2.gz HWVIQXNVRBCQRX-DYVFJYSZSA-N 2 0 302.397 2.537 20 0 DFADRP COc1ccc(CC[C@H](C)[NH2+][C@H]2CCCC[C@@H]2C[NH3+])cc1O ZINC000414806441 316663357 /nfs/dbraw/zinc/66/33/57/316663357.db2.gz QHQGDRKHSCXGNS-IMJJTQAJSA-N 2 0 306.450 2.829 20 0 DFADRP COC1([C@@H](C)[NH2+]C2CC[NH+](C[C@@H]3CCOC3)CC2)CCCCC1 ZINC000421829841 316771310 /nfs/dbraw/zinc/77/13/10/316771310.db2.gz JADDEDBZXHWRGM-SJORKVTESA-N 2 0 324.509 2.815 20 0 DFADRP C[C@@H](Cc1ccc(F)cc1Cl)[NH2+]CCOCC[NH+](C)C ZINC000421834548 316772021 /nfs/dbraw/zinc/77/20/21/316772021.db2.gz CHYJKVAVGZSMER-LBPRGKRZSA-N 2 0 302.821 2.578 20 0 DFADRP CCc1cc(N2CCC(CCC[NH+]3CCOCC3)CC2)cc[nH+]1 ZINC000450431964 317092327 /nfs/dbraw/zinc/09/23/27/317092327.db2.gz CXRPAZJGEQOVFI-UHFFFAOYSA-N 2 0 317.477 2.973 20 0 DFADRP CCc1cc(N2C[C@@H]3[C@H](C2)OCCN3Cc2ccccc2)cc[nH+]1 ZINC000450497840 317098841 /nfs/dbraw/zinc/09/88/41/317098841.db2.gz GTDNITNCOJNISV-UXHICEINSA-N 2 0 323.440 2.734 20 0 DFADRP COC1([C@@H](C)[NH2+]CCCC[N@@H+]2CCC[C@H](C)C2)CCOCC1 ZINC000453062808 317157686 /nfs/dbraw/zinc/15/76/86/317157686.db2.gz QQPSYQFXWYFQFN-DLBZAZTESA-N 2 0 312.498 2.672 20 0 DFADRP C[C@@H](C[NH2+][C@@H]1CC[C@@H](C)c2ccsc21)N1CC[NH+](C)CC1 ZINC000453095852 317162013 /nfs/dbraw/zinc/16/20/13/317162013.db2.gz HMUFRMCRXXJINP-IJEWVQPXSA-N 2 0 307.507 2.912 20 0 DFADRP CC1CC[NH+](C[C@@H](O)C[NH2+]C2CCc3ccccc3CC2)CC1 ZINC000453103496 317162699 /nfs/dbraw/zinc/16/26/99/317162699.db2.gz AYYMMEBTHMEYMA-FQEVSTJZSA-N 2 0 316.489 2.616 20 0 DFADRP CCO[C@H](CC[NH+](C)C)C[NH2+]C1CCc2ccccc2CC1 ZINC000453140061 317164754 /nfs/dbraw/zinc/16/47/54/317164754.db2.gz XDNYBTZDGIWFHY-LJQANCHMSA-N 2 0 304.478 2.880 20 0 DFADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]C[C@@](C)(CC)OC)[C@H](C)C1 ZINC000453290003 317176934 /nfs/dbraw/zinc/17/69/34/317176934.db2.gz ABUCZYRDZOCVHL-IXDOHACOSA-N 2 0 300.487 2.528 20 0 DFADRP C[N@H+](CCCC[NH2+]Cc1ccc(Br)cn1)C1CC1 ZINC000453595020 317192635 /nfs/dbraw/zinc/19/26/35/317192635.db2.gz JRKIFKXDQVJLPW-UHFFFAOYSA-N 2 0 312.255 2.808 20 0 DFADRP CC(C)[C@@H]1CN(CC[N@H+](C)Cc2ccc(F)cc2)CC[NH+]1C ZINC000488038840 317362454 /nfs/dbraw/zinc/36/24/54/317362454.db2.gz BEASAGWALMTWEO-SFHVURJKSA-N 2 0 307.457 2.530 20 0 DFADRP CC[NH2+]CC1CC[NH+](C[C@@H](Cc2ccc(F)cc2)OC)CC1 ZINC000530210319 317775771 /nfs/dbraw/zinc/77/57/71/317775771.db2.gz JHFFJYZDKPGKIH-GOSISDBHSA-N 2 0 308.441 2.705 20 0 DFADRP COc1cccc([C@@H](C)[NH+]2CCC(CO[C@@H]3CC[NH2+]C3)CC2)c1 ZINC000530243005 317778309 /nfs/dbraw/zinc/77/83/09/317778309.db2.gz WFHDIWSTLWHLGX-DNVCBOLYSA-N 2 0 318.461 2.847 20 0 DFADRP COc1cccc([C@@H](C)[NH+]2CCC(CO[C@H]3CC[NH2+]C3)CC2)c1 ZINC000530243004 317778440 /nfs/dbraw/zinc/77/84/40/317778440.db2.gz WFHDIWSTLWHLGX-BEFAXECRSA-N 2 0 318.461 2.847 20 0 DFADRP C[C@H]([NH2+]C[C@H]1CCC[C@H]([NH3+])C1)c1ccc2c(c1)CCC(=O)N2 ZINC000566092650 317937145 /nfs/dbraw/zinc/93/71/45/317937145.db2.gz FHMSEGAOPZZAGD-XEZPLFJOSA-N 2 0 301.434 2.739 20 0 DFADRP CC(C)C(=O)Nc1ccc(C[NH2+][C@H](C)[C@H]2CCC[NH2+]C2)cc1 ZINC000571514381 317985906 /nfs/dbraw/zinc/98/59/06/317985906.db2.gz YYCOOFILMAIEOD-ZBFHGGJFSA-N 2 0 303.450 2.759 20 0 DFADRP CSc1ccccc1NC(=O)CC[NH+]1CCC(CC[NH3+])CC1 ZINC000573008975 318010538 /nfs/dbraw/zinc/01/05/38/318010538.db2.gz KCHMUNUILQKALO-UHFFFAOYSA-N 2 0 321.490 2.798 20 0 DFADRP CC[NH2+]CCCN[C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000574629755 318028914 /nfs/dbraw/zinc/02/89/14/318028914.db2.gz QZNMPCJDMIAVMY-VAMGGRTRSA-N 3 0 315.505 2.876 20 0 DFADRP c1ccc2c(C[NH2+]C3CCC([NH+]4CCNCC4)CC3)ccnc2c1 ZINC000574663500 318032407 /nfs/dbraw/zinc/03/24/07/318032407.db2.gz RYZYSTHSXCDKRR-UHFFFAOYSA-N 2 0 324.472 2.541 20 0 DFADRP C[C@@H](NC[C@H](c1ccccc1Cl)[NH+]1CCCC1)C1C[NH2+]C1 ZINC000574748888 318037697 /nfs/dbraw/zinc/03/76/97/318037697.db2.gz PWVSMDRKWYIDAA-CXAGYDPISA-N 2 0 307.869 2.674 20 0 DFADRP Cn1ccc(CN[C@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)n1 ZINC000574754855 318038069 /nfs/dbraw/zinc/03/80/69/318038069.db2.gz ROENSKFRFKVTDE-KRWDZBQOSA-N 2 0 310.445 2.707 20 0 DFADRP C[NH+](C)CCCCC(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C ZINC000574771637 318039988 /nfs/dbraw/zinc/03/99/88/318039988.db2.gz DFOJCYFBNPSYLM-KRWDZBQOSA-N 2 0 303.450 2.906 20 0 DFADRP C[NH+](C)CC1CCC(NC(=O)CC[C@@H]([NH3+])c2ccccc2)CC1 ZINC000574803015 318041244 /nfs/dbraw/zinc/04/12/44/318041244.db2.gz LOKYXKPHNOHDCQ-VMWRSERWSA-N 2 0 317.477 2.703 20 0 DFADRP C[NH+](C)CC[C@@H]([NH2+]C[C@H](O)CCc1ccccc1)C(C)(C)C ZINC000575040228 318058559 /nfs/dbraw/zinc/05/85/59/318058559.db2.gz QHFFMTUNOUUQIZ-QZTJIDSGSA-N 2 0 306.494 2.936 20 0 DFADRP COc1ccc(C[C@H](C)C[N@@H+]2CC[C@H]3C[NH2+]C[C@@H]3C2)cc1F ZINC000575059146 318060074 /nfs/dbraw/zinc/06/00/74/318060074.db2.gz HWVKVNPNJILHJN-CWRNSKLLSA-N 2 0 306.425 2.554 20 0 DFADRP C[C@@H](CCc1ccco1)[NH2+]Cc1ccncc1OCC[NH+](C)C ZINC000575158086 318067584 /nfs/dbraw/zinc/06/75/84/318067584.db2.gz UMPBMVQYHYPARE-HNNXBMFYSA-N 2 0 317.433 2.726 20 0 DFADRP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+]Cc1cccc(-n2cncn2)c1 ZINC000576010247 318098609 /nfs/dbraw/zinc/09/86/09/318098609.db2.gz YFWBHISHBFTUFS-NVXWUHKLSA-N 2 0 313.449 2.668 20 0 DFADRP CCOc1cccc2cc([C@@H](C)NC[C@@H]3C[NH2+]CCCO3)oc21 ZINC000576695577 318143417 /nfs/dbraw/zinc/14/34/17/318143417.db2.gz NOXBBPFTQCLWLM-HIFRSBDPSA-N 2 0 318.417 2.861 20 0 DFADRP C[C@@H](CNC(=O)Nc1ccc2c(c1)C[NH2+]C2)[NH+]1CCC(C)CC1 ZINC000576728651 318146290 /nfs/dbraw/zinc/14/62/90/318146290.db2.gz REZMXYIDVFPKEN-AWEZNQCLSA-N 2 0 316.449 2.532 20 0 DFADRP C[C@@H]([NH2+][C@@H](CN1CC[NH+](C)CC1)c1ccccc1)[C@H]1C[C@H]1C ZINC000577042627 318167497 /nfs/dbraw/zinc/16/74/97/318167497.db2.gz ZVLLSVXXPYTVSO-FPAYPSAMSA-N 2 0 301.478 2.609 20 0 DFADRP C[NH+](C)Cc1ccnc(NC(=O)CC[C@@H]([NH3+])c2ccccc2)c1 ZINC000577061038 318168916 /nfs/dbraw/zinc/16/89/16/318168916.db2.gz XALQOJGVSFQTDB-MRXNPFEDSA-N 2 0 312.417 2.562 20 0 DFADRP CC(C)[N@H+](C)C[C@@H](O)CN1CC2(CCC2)[C@@H]1c1ccccc1 ZINC000577232149 318180266 /nfs/dbraw/zinc/18/02/66/318180266.db2.gz XGWHVDKFJYOYIU-MSOLQXFVSA-N 2 0 302.462 2.915 20 0 DFADRP C[NH+](C)Cc1cc(C[NH2+]C[C@@H](O)Cc2ccccc2)ccc1F ZINC000577275547 318182491 /nfs/dbraw/zinc/18/24/91/318182491.db2.gz FLLFJOXEUCCGIV-SFHVURJKSA-N 2 0 316.420 2.581 20 0 DFADRP CC[C@H]1CCCC[N@@H+]1CCNC(=O)Nc1ccc2c(c1)C[NH2+]C2 ZINC000577364546 318188071 /nfs/dbraw/zinc/18/80/71/318188071.db2.gz JJMVQMJVUOFRMD-KRWDZBQOSA-N 2 0 316.449 2.676 20 0 DFADRP C[C@H]1C[C@H](C[NH2+]Cc2ccc(OCC(F)(F)F)nc2)CC[NH2+]1 ZINC000577363527 318188167 /nfs/dbraw/zinc/18/81/67/318188167.db2.gz OUMYYSXNXMZFQA-NWDGAFQWSA-N 2 0 317.355 2.500 20 0 DFADRP CCCN(CCC[NH+](C)C)C(=O)c1ccc(CC[NH+](C)C)cc1 ZINC000577384976 318189574 /nfs/dbraw/zinc/18/95/74/318189574.db2.gz JWCMIXPCDGLFHB-UHFFFAOYSA-N 2 0 319.493 2.595 20 0 DFADRP COCC[C@H]1CCCC[N@H+](Cc2ccc3c(c2)C[NH2+]CC3)C1 ZINC000577499211 318197556 /nfs/dbraw/zinc/19/75/56/318197556.db2.gz PQKQEPKYBODUFQ-MRXNPFEDSA-N 2 0 302.462 2.971 20 0 DFADRP Cc1cccc(C)c1OC[C@H](O)C[NH2+][C@@H](C)C(C)(C)C[NH+](C)C ZINC000577622808 318206191 /nfs/dbraw/zinc/20/61/91/318206191.db2.gz SEOISXARUUCZCK-DLBZAZTESA-N 2 0 322.493 2.609 20 0 DFADRP C[NH+](C)Cc1ccccc1CNC(=O)CC[C@@H]1CCCC[N@@H+]1C ZINC000577784935 318216777 /nfs/dbraw/zinc/21/67/77/318216777.db2.gz MCJAJGFRZQBCPX-SFHVURJKSA-N 2 0 317.477 2.629 20 0 DFADRP COc1ccc([C@H](C)[NH2+]CCCC[NH+]2CCN(C)CC2)c(C)c1 ZINC000578045053 318234333 /nfs/dbraw/zinc/23/43/33/318234333.db2.gz PRGXUSKMJQFPRR-KRWDZBQOSA-N 2 0 319.493 2.682 20 0 DFADRP C[C@@H](c1ccccc1)[C@H](O)C[NH2+]C1CCC(C[NH+](C)C)CC1 ZINC000578064633 318235194 /nfs/dbraw/zinc/23/51/94/318235194.db2.gz OAIIRGCGRKQFFX-NHFHULPWSA-N 2 0 304.478 2.861 20 0 DFADRP CC(C)C[N@@H+]1CCC[C@@H](C[NH2+]C[C@@H](O)Cc2ccc(F)cc2)C1 ZINC000578232248 318246951 /nfs/dbraw/zinc/24/69/51/318246951.db2.gz MVSHZASUQCKIRB-HKUYNNGSSA-N 2 0 322.468 2.687 20 0 DFADRP CCN(CC[NH+]1CCCCCC1)C(=O)NCC1([NH3+])CCCCC1 ZINC000578334995 318254414 /nfs/dbraw/zinc/25/44/14/318254414.db2.gz GDRBURPFLNROTJ-UHFFFAOYSA-N 2 0 324.513 2.556 20 0 DFADRP CC(C)[NH+](CCCNC(=O)c1ccc([C@H](C)[NH3+])cc1)C(C)C ZINC000578527544 318267818 /nfs/dbraw/zinc/26/78/18/318267818.db2.gz JPPPHZLEFDHLKP-HNNXBMFYSA-N 2 0 305.466 2.945 20 0 DFADRP COc1cc(F)c(C[NH2+]CC2(C)CC[NH+](C)CC2)cc1OC ZINC000578754518 318283045 /nfs/dbraw/zinc/28/30/45/318283045.db2.gz ARLLHESMCSGSLM-UHFFFAOYSA-N 2 0 310.413 2.664 20 0 DFADRP [NH3+]C[C@H](N[C@H]1CC[NH2+][C@H](c2ccccc2)C1)C1CCCCC1 ZINC000578858301 318290164 /nfs/dbraw/zinc/29/01/64/318290164.db2.gz IABLDBMDVVYPKV-FHWLQOOXSA-N 2 0 301.478 2.977 20 0 DFADRP CCc1noc(C2CCC([NH2+]CC[C@H]3CCC[NH2+]C3)CC2)n1 ZINC000579095592 318306605 /nfs/dbraw/zinc/30/66/05/318306605.db2.gz VJASDGMTJNMZMO-WLYUNCDWSA-N 2 0 306.454 2.638 20 0 DFADRP CCc1cccc(OCC[NH+]2CCC([C@H]3CC[NH2+]C3)CC2)c1 ZINC000579123810 318309133 /nfs/dbraw/zinc/30/91/33/318309133.db2.gz WNNZUHIZRNJWJC-SFHVURJKSA-N 2 0 302.462 2.949 20 0 DFADRP CC(C)C[C@@H]([NH3+])CN1CC[C@@H]([N@H+](C)CCc2ccccc2)C1 ZINC000579377323 318327392 /nfs/dbraw/zinc/32/73/92/318327392.db2.gz MNOFNPBTEZYBBO-RTBURBONSA-N 2 0 303.494 2.609 20 0 DFADRP [NH3+]C[C@@H]1CCC[C@H]1[NH2+]Cc1cccc(NC(=O)C2CCC2)c1 ZINC000579580773 318340115 /nfs/dbraw/zinc/34/01/15/318340115.db2.gz HUYXQHKKEBCZCO-DOTOQJQBSA-N 2 0 301.434 2.642 20 0 DFADRP C[C@H]([NH2+]Cc1ccc(OC2CCCCC2)nc1)[C@@H]1CC[NH2+]C1 ZINC000580062286 318372342 /nfs/dbraw/zinc/37/23/42/318372342.db2.gz APISKJKSADAGBP-GOEBONIOSA-N 2 0 303.450 2.881 20 0 DFADRP C[C@@H]([NH3+])C[C@@H](C)NC(=O)C1(C)CC[NH+](Cc2ccccc2)CC1 ZINC000580198775 318382706 /nfs/dbraw/zinc/38/27/06/318382706.db2.gz PLTFRPMWNWKWOZ-HZPDHXFCSA-N 2 0 317.477 2.531 20 0 DFADRP C[C@@H]1C[C@H](N[C@@H]2CCC[C@@H]([NH3+])C2)CC[N@@H+]1Cc1ccccc1 ZINC000379616890 323289490 /nfs/dbraw/zinc/28/94/90/323289490.db2.gz DFFIXQBPQJBNDN-NXWXRZEISA-N 2 0 301.478 2.899 20 0 DFADRP C[C@H](CCNC(=O)[C@H]1CCCCC[NH2+]1)[N@H+](C)Cc1ccccc1 ZINC000379681798 323290456 /nfs/dbraw/zinc/29/04/56/323290456.db2.gz TVHXUZOBLGGXAD-SJLPKXTDSA-N 2 0 317.477 2.545 20 0 DFADRP Brc1ccsc1C[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000379839688 323290549 /nfs/dbraw/zinc/29/05/49/323290549.db2.gz GEROPTDBIATLFP-PHIMTYICSA-N 2 0 315.280 2.942 20 0 DFADRP CC[N@@H+]1CC[C@H](N[C@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC000379654570 323290750 /nfs/dbraw/zinc/29/07/50/323290750.db2.gz IYTMZVDZFYREFH-WDSOQIARSA-N 2 0 301.478 2.723 20 0 DFADRP C[C@H](NC[C@H]1CCC[N@H+](C)C1)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000381753635 323294957 /nfs/dbraw/zinc/29/49/57/323294957.db2.gz CMKBTOMMRCJRCF-DFQSSKMNSA-N 2 0 315.505 2.828 20 0 DFADRP C[C@@H]1C[N@H+](Cc2ccccc2)CCCN1CC[NH2+]C(C)(C)C ZINC000382754589 323302391 /nfs/dbraw/zinc/30/23/91/323302391.db2.gz GKNGWZUSVXWTAZ-QGZVFWFLSA-N 2 0 303.494 2.971 20 0 DFADRP CCCN(CC[NH2+][C@H]1CC[N@H+](C)C[C@H]1C)C(=O)OC(C)(C)C ZINC000382842209 323303389 /nfs/dbraw/zinc/30/33/89/323303389.db2.gz WFLKPCIRMMRURK-CABCVRRESA-N 2 0 313.486 2.563 20 0 DFADRP Brc1csc(C[N@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)c1 ZINC000384041756 323305501 /nfs/dbraw/zinc/30/55/01/323305501.db2.gz QIIAJDPWQLJLAE-PHIMTYICSA-N 2 0 315.280 2.942 20 0 DFADRP CCOc1ccc(C[NH2+]C[C@H]2CC[N@@H+](C(C)C)C2)cc1OC ZINC000386044880 323315337 /nfs/dbraw/zinc/31/53/37/323315337.db2.gz YKNVRDHOQCNQQC-MRXNPFEDSA-N 2 0 306.450 2.914 20 0 DFADRP C[C@@H]1CN(Cc2ccccc2)C[C@@H]1[NH2+][C@@H]1CCCC[C@@H]1C[NH3+] ZINC000389787633 323337002 /nfs/dbraw/zinc/33/70/02/323337002.db2.gz NBHPZSXGXOVXFL-OWYHZJEWSA-N 2 0 301.478 2.614 20 0 DFADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000389849840 323338734 /nfs/dbraw/zinc/33/87/34/323338734.db2.gz UKWYNRNXZZTZJM-PANBIXPWSA-N 2 0 313.489 2.722 20 0 DFADRP CC[NH+]1CCC(C[NH2+]C2CCC(O)(C(F)(F)F)CC2)CC1 ZINC000396324415 323352581 /nfs/dbraw/zinc/35/25/81/323352581.db2.gz QRBOFYPABHXLJW-UHFFFAOYSA-N 2 0 308.388 2.544 20 0 DFADRP C[C@H]([NH2+]CC1(O)CC[NH+](C)CC1)c1ccc(Cl)c(F)c1 ZINC000397648174 323355091 /nfs/dbraw/zinc/35/50/91/323355091.db2.gz VXGZCKVQAXETOP-NSHDSACASA-N 2 0 300.805 2.586 20 0 DFADRP CC(C)(C)CCC[NH2+]C[C@@H](O)CN1CCc2ccccc2C1 ZINC000580305427 323367159 /nfs/dbraw/zinc/36/71/59/323367159.db2.gz CFFUQQKPSOTFLH-GOSISDBHSA-N 2 0 304.478 2.822 20 0 DFADRP Cc1noc(C[C@H]([NH2+][C@H]2CCC[C@@H]([NH3+])C2)c2ccccc2)n1 ZINC000580450288 323388445 /nfs/dbraw/zinc/38/84/45/323388445.db2.gz HGLXMHJLOTUCQK-PMPSAXMXSA-N 2 0 300.406 2.521 20 0 DFADRP CC[NH+](CC)CCO[C@@H]1CC[N@H+](Cc2ccc3c(n2)CCC3)C1 ZINC000580524770 323396269 /nfs/dbraw/zinc/39/62/69/323396269.db2.gz LOLJFWPJELVYGF-GOSISDBHSA-N 2 0 317.477 2.503 20 0 DFADRP CC1(C)[C@@H]([NH2+]CC2CC[NH2+]CC2)C[C@@H]1OCc1ccccc1 ZINC000580827874 323439765 /nfs/dbraw/zinc/43/97/65/323439765.db2.gz XXGDWRFFUFJCSL-ROUUACIJSA-N 2 0 302.462 2.960 20 0 DFADRP [NH3+]C[C@H]1c2ccccc2CCN1C(=O)CC[C@H]([NH3+])c1ccccc1 ZINC000581312602 323505515 /nfs/dbraw/zinc/50/55/15/323505515.db2.gz YGNYTBQNJQNEEF-OALUTQOASA-N 2 0 323.440 2.551 20 0 DFADRP C[C@H](CCc1n[nH]c2ccccc21)[NH2+][C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000581357462 323511092 /nfs/dbraw/zinc/51/10/92/323511092.db2.gz VAEAIIMTKKPBBJ-QLFBSQMISA-N 2 0 300.450 2.862 20 0 DFADRP Cn1cc(-c2ccc(C[NH2+][C@H]3CCCC[C@@H]3C[NH3+])s2)cn1 ZINC000581595441 323545490 /nfs/dbraw/zinc/54/54/90/323545490.db2.gz AZUYDKQQLJHSJO-DOMZBBRYSA-N 2 0 304.463 2.756 20 0 DFADRP C[C@@H]([NH2+]CC1CC[NH2+]CC1)c1ccc(-n2cncn2)cc1Cl ZINC000582295306 323647363 /nfs/dbraw/zinc/64/73/63/323647363.db2.gz VJQRHHPAJVSKDM-GFCCVEGCSA-N 2 0 319.840 2.571 20 0 DFADRP CCCC(=O)Nc1ccc(C[NH2+][C@@H](C)[C@@H]2CCC[NH2+]C2)cc1 ZINC000582600360 323700731 /nfs/dbraw/zinc/70/07/31/323700731.db2.gz XAEDVHSRWNINHY-GOEBONIOSA-N 2 0 303.450 2.903 20 0 DFADRP CCCC(=O)Nc1ccc(C[NH2+][C@H](C)[C@H]2CCC[NH2+]C2)cc1 ZINC000582600362 323700896 /nfs/dbraw/zinc/70/08/96/323700896.db2.gz XAEDVHSRWNINHY-ZBFHGGJFSA-N 2 0 303.450 2.903 20 0 DFADRP Cc1cccc(NC(=O)C[C@H](C)[NH2+]Cc2ccc(C[NH3+])cc2)c1 ZINC000583145266 323804048 /nfs/dbraw/zinc/80/40/48/323804048.db2.gz FWHRIZXXFAYNHD-HNNXBMFYSA-N 2 0 311.429 2.961 20 0 DFADRP CC(C)[NH+](CCCNC(=O)C[C@H](C)[C@@H]1CCC[NH2+]C1)C(C)C ZINC000583201832 323812689 /nfs/dbraw/zinc/81/26/89/323812689.db2.gz OLQOMNRTQLOEQL-DLBZAZTESA-N 2 0 311.514 2.637 20 0 DFADRP Cc1nc2ccccc2n1CCC[NH2+][C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000584285598 332212822 /nfs/dbraw/zinc/21/28/22/332212822.db2.gz RNGKXCQRHCWTRG-HOCLYGCPSA-N 2 0 300.450 2.713 20 0 DFADRP Cn1ncc2ccc(C[NH2+][C@@H]3CCC[C@@H]3[C@H]3CCCC[NH2+]3)cc21 ZINC000584404628 337319897 /nfs/dbraw/zinc/31/98/97/337319897.db2.gz CUJFYMQPOZTUOC-KZNAEPCWSA-N 2 0 312.461 2.974 20 0 DFADRP C[C@H]([NH3+])C[C@H](C)NC(=O)NCC(C)(C)[NH2+][C@@H](C)c1ccccc1 ZINC000584468552 337344657 /nfs/dbraw/zinc/34/46/57/337344657.db2.gz XHGADTKJGJJYSH-KKUMJFAQSA-N 2 0 320.481 2.541 20 0 DFADRP CC1CC[NH+](CCCCNC(=O)[C@@H]2CCCC[C@@]2(C)[NH3+])CC1 ZINC000345830517 517527225 /nfs/dbraw/zinc/52/72/25/517527225.db2.gz XQTIUOJTOMYERR-FUHWJXTLSA-N 2 0 309.498 2.522 20 0 DFADRP COc1ccc(C[NH2+][C@@H]2CCC[C@H]([NH3+])C2)cc1OC(F)F ZINC000414924313 518152499 /nfs/dbraw/zinc/15/24/99/518152499.db2.gz JTDBRDKYPCLGPY-NWDGAFQWSA-N 2 0 300.349 2.656 20 0 DFADRP C(C[NH2+]C1CC[NH+](C2CCCCC2)CC1)COC[C@H]1CCCO1 ZINC000163462303 518391845 /nfs/dbraw/zinc/39/18/45/518391845.db2.gz QUMRODQCMVTIJL-LJQANCHMSA-N 2 0 324.509 2.959 20 0 DFADRP C(CO[C@H]1CCCCO1)C[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000338317588 518393832 /nfs/dbraw/zinc/39/38/32/518393832.db2.gz NTKFVJFYIDOHOU-ROUUACIJSA-N 2 0 310.482 2.870 20 0 DFADRP CC(C)c1ccc([C@@H]([NH3+])CNC(=O)CCC2CC[NH2+]CC2)cc1 ZINC000154523226 519839292 /nfs/dbraw/zinc/83/92/92/519839292.db2.gz ZEYMDFMXJHYWEJ-SFHVURJKSA-N 2 0 317.477 2.706 20 0 DFADRP CC[NH2+]Cc1cccc(NC(=O)[C@@H]2C[C@@H]3CCCC[N@@H+]3C2)c1 ZINC000366353587 520004287 /nfs/dbraw/zinc/00/42/87/520004287.db2.gz JZXGXGCRTPQGAN-WBVHZDCISA-N 2 0 301.434 2.609 20 0 DFADRP c1cc(N2CCC([NH2+][C@@H]3CCO[C@H](C4CC4)C3)CC2)cc[nH+]1 ZINC000297611491 534469556 /nfs/dbraw/zinc/46/95/56/534469556.db2.gz KPGRIRWHBFIWGH-AEFFLSMTSA-N 2 0 301.434 2.598 20 0 DFADRP CC[NH+]1CCN([C@@H](C)C[NH2+][C@H](C)c2ccc3c(c2)CCC3)CC1 ZINC000155611677 521691214 /nfs/dbraw/zinc/69/12/14/521691214.db2.gz XQJCCHLAAYCSQO-DLBZAZTESA-N 2 0 315.505 2.852 20 0 DFADRP CC[C@H]1CCCC[N@@H+]1CCNC(=O)c1cccc(C[NH+](C)C)c1 ZINC000156435863 523024196 /nfs/dbraw/zinc/02/41/96/523024196.db2.gz LVOPQHFTZUGAEH-SFHVURJKSA-N 2 0 317.477 2.743 20 0 DFADRP C[N@@H+]1CC[C@H]([NH2+]Cc2ccc(N3CCCC3)nc2)[C@H]2CCC[C@@H]21 ZINC000367614689 523989046 /nfs/dbraw/zinc/98/90/46/523989046.db2.gz IUQWOHRZBXVVSU-SQNIBIBYSA-N 2 0 314.477 2.644 20 0 DFADRP Cc1cccc(CC[C@@H](C)[NH2+]CCCN2CCC[N@H+](C)CC2)c1 ZINC000128385697 524365960 /nfs/dbraw/zinc/36/59/60/524365960.db2.gz CFCTYCGIJGLFFD-LJQANCHMSA-N 2 0 317.521 2.933 20 0 DFADRP C[C@H]([NH2+]CC1CC[NH+](CC(=O)NC(C)(C)C)CC1)c1ccco1 ZINC000163528796 525324253 /nfs/dbraw/zinc/32/42/53/525324253.db2.gz ZZZZJDOALXTFSK-AWEZNQCLSA-N 2 0 321.465 2.557 20 0 DFADRP C[C@@H]([NH2+]CC1CC[NH+](CC(=O)NC(C)(C)C)CC1)c1ccco1 ZINC000163528900 525426653 /nfs/dbraw/zinc/42/66/53/525426653.db2.gz ZZZZJDOALXTFSK-CQSZACIVSA-N 2 0 321.465 2.557 20 0 DFADRP C[C@@H]([NH2+]C[C@@H]1CCC[C@H](O)C1)c1ccc(OCC[NH+](C)C)cc1 ZINC000163308075 525482000 /nfs/dbraw/zinc/48/20/00/525482000.db2.gz OIKDPYJRFPBDAX-NUJGCVRESA-N 2 0 320.477 2.829 20 0 DFADRP C[C@@H]([NH2+]C[C@H]1CCC[C@H](O)C1)c1ccc(OCC[NH+](C)C)cc1 ZINC000163308336 525500285 /nfs/dbraw/zinc/50/02/85/525500285.db2.gz OIKDPYJRFPBDAX-RYRKJORJSA-N 2 0 320.477 2.829 20 0 DFADRP Fc1ccc(C[NH2+]CC2CCN(c3cc[nH+]cc3)CC2)cn1 ZINC000189175308 526336924 /nfs/dbraw/zinc/33/69/24/526336924.db2.gz RZYAOFBUTQMPSE-UHFFFAOYSA-N 2 0 300.381 2.622 20 0 DFADRP O=C(CCC1CC[NH2+]CC1)NC1CC[NH+](C2CCCCC2)CC1 ZINC000156047769 526410691 /nfs/dbraw/zinc/41/06/91/526410691.db2.gz WNWCDXNOFGHBOP-UHFFFAOYSA-N 2 0 321.509 2.680 20 0 DFADRP CCC[N@H+](C)C[C@@H]1CC[NH+](C[C@H](Cc2ccccc2)OC)C1 ZINC000294928806 527837473 /nfs/dbraw/zinc/83/74/73/527837473.db2.gz IWQPTZHKSWXCIZ-OALUTQOASA-N 2 0 304.478 2.908 20 0 DFADRP CC[N@@H+]1CC[C@H](N[C@@H]2CC[C@H]3C[NH+](Cc4ccccc4)C[C@@H]32)C1 ZINC000328297751 527886574 /nfs/dbraw/zinc/88/65/74/527886574.db2.gz WQVCEHPNWLUWGJ-LWYYNNOASA-N 2 0 313.489 2.581 20 0 DFADRP CC(C)CNC(=[NH2+])NC[C@]1(C)CC[N@H+](Cc2ccccc2)C1 ZINC000309661884 528030748 /nfs/dbraw/zinc/03/07/48/528030748.db2.gz MQBSTKGBKISVET-SFHVURJKSA-N 2 0 302.466 2.669 20 0 DFADRP CCOC(=O)C1CCC([NH2+]Cc2ccc3c[nH+]cn3c2)CC1 ZINC000297562439 528627451 /nfs/dbraw/zinc/62/74/51/528627451.db2.gz QPPZKZVMQNEMKK-UHFFFAOYSA-N 2 0 301.390 2.546 20 0 DFADRP CC(C)[N@@H+](C)C[C@@H](C)N[C@H]1C[C@H](C)[NH+](Cc2ccccc2)C1 ZINC000309817092 528829995 /nfs/dbraw/zinc/82/99/95/528829995.db2.gz OJUAHVRSYWMKCF-AOIWGVFYSA-N 2 0 303.494 2.968 20 0 DFADRP CCC(CC)(C[NH3+])C(=O)NCC1CC[NH+](CCC(C)C)CC1 ZINC000236658969 534931097 /nfs/dbraw/zinc/93/10/97/534931097.db2.gz YYGVHYVXVVHQFK-UHFFFAOYSA-N 2 0 311.514 2.626 20 0 DFADRP CC1(C)Cc2cccc(C[N@@H+]3C[C@@H]4CCC[C@@H]([NH3+])[C@@H]4C3)c2O1 ZINC000262135737 534956931 /nfs/dbraw/zinc/95/69/31/534956931.db2.gz LXFIAUNRDHWWOW-USXIJHARSA-N 2 0 300.446 2.959 20 0 DFADRP CC(C)C[N@@H+]1Cc2cccc(NC(=O)[C@@H]3C[NH+](C)C[C@H]3C)c2C1 ZINC000362905886 535145223 /nfs/dbraw/zinc/14/52/23/535145223.db2.gz UJZBBCKRPRSHMZ-GDBMZVCRSA-N 2 0 315.461 2.794 20 0 DFADRP CCO[C@@H]1C[C@@H]([NH2+]C[C@H]2CCC[N@@H+](C(C)C)C2)C12CCOCC2 ZINC000249034910 535409112 /nfs/dbraw/zinc/40/91/12/535409112.db2.gz TXBQMSOKKWMWIX-KZNAEPCWSA-N 2 0 324.509 2.671 20 0 DFADRP CC[NH2+]CC1CC[NH+](CC(=O)N(C)[C@H](C)c2ccccc2)CC1 ZINC000261744937 535458217 /nfs/dbraw/zinc/45/82/17/535458217.db2.gz OHSASYQEVVKAMQ-MRXNPFEDSA-N 2 0 317.477 2.528 20 0 DFADRP CC[NH2+]CC1CC[NH+](CCOc2ccccc2OCC)CC1 ZINC000262068249 535458638 /nfs/dbraw/zinc/45/86/38/535458638.db2.gz FUATUSCFMCZZDI-UHFFFAOYSA-N 2 0 306.450 2.786 20 0 DFADRP CC[NH2+]Cc1cccc(NC(=O)[C@]23C[NH2+]C[C@@H]2CCCC3)c1 ZINC000262284761 535482555 /nfs/dbraw/zinc/48/25/55/535482555.db2.gz XRPMKMZCKSLQOG-MAUKXSAKSA-N 2 0 301.434 2.514 20 0 DFADRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H](C)Cc2ccoc2)[C@H](C)C1 ZINC000361930929 535526607 /nfs/dbraw/zinc/52/66/07/535526607.db2.gz SQKPHDVKOOLSOJ-NUJGCVRESA-N 2 0 308.466 2.937 20 0 DFADRP CCC[C@@](C)([NH3+])C(=O)NC[C@H](Cc1ccccc1)[NH+](CC)CC ZINC000262136650 535528573 /nfs/dbraw/zinc/52/85/73/535528573.db2.gz OASODSNIUYLWAR-PKOBYXMFSA-N 2 0 319.493 2.573 20 0 DFADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+][C@@H](C)C2C(C)(C)C2(C)C)CC1 ZINC000354351427 535708309 /nfs/dbraw/zinc/70/83/09/535708309.db2.gz LBQCKRQYSLZASP-HOTGVXAUSA-N 2 0 309.542 2.920 20 0 DFADRP C[NH+](C)CCOc1cccc(N[C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)c1 ZINC000261668950 535913264 /nfs/dbraw/zinc/91/32/64/535913264.db2.gz HAPOHUNFOXXFFV-GUDVDZBRSA-N 2 0 317.477 2.960 20 0 DFADRP C[NH+](C)Cc1cccc(C(=O)NCC(C)(C)C[NH+]2CCCC2)c1 ZINC000361401078 536025135 /nfs/dbraw/zinc/02/51/35/536025135.db2.gz VFMFIOOIEBTFOV-UHFFFAOYSA-N 2 0 317.477 2.600 20 0 DFADRP C[NH+](C)[C@@H](CNC(=O)CC1(C[NH3+])CCCCC1)c1ccsc1 ZINC000274224433 536125810 /nfs/dbraw/zinc/12/58/10/536125810.db2.gz OPTJDOCNJZPIDB-HNNXBMFYSA-N 2 0 323.506 2.766 20 0 DFADRP COc1ccc([C@@H]([NH2+]CC2CC[NH+](CCO)CC2)C(C)C)cc1 ZINC000180099728 536890172 /nfs/dbraw/zinc/89/01/72/536890172.db2.gz DAGRHGCUODFBMG-IBGZPJMESA-N 2 0 320.477 2.686 20 0 DFADRP C/C=C/C[C@H](CO)[NH2+]Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000681135862 545602054 /nfs/dbraw/zinc/60/20/54/545602054.db2.gz IODIRMCNTVKXPL-ZMUQKWFASA-N 2 0 318.461 2.578 20 0 DFADRP Fc1ccc([C@H](N[C@H]2CC[N@H+](CC3CC3)C2)c2ncc[nH]2)cc1 ZINC000682132325 545802058 /nfs/dbraw/zinc/80/20/58/545802058.db2.gz BAMBEMGMVQENTO-IRXDYDNUSA-N 2 0 314.408 2.712 20 0 DFADRP C[C@H]([NH2+]C[C@]1(O)CCC[C@H](C(F)(F)F)C1)C1CC[NH+](C)CC1 ZINC000682143044 545803833 /nfs/dbraw/zinc/80/38/33/545803833.db2.gz HGARFAXYDAHSDU-QEJZJMRPSA-N 2 0 322.415 2.790 20 0 DFADRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H]2CCS[C@@H]2C)[C@@H](C)C1 ZINC000682159063 545808686 /nfs/dbraw/zinc/80/86/86/545808686.db2.gz KZJRFKOKQUJUQV-XUWVNRHRSA-N 2 0 300.512 2.607 20 0 DFADRP C[C@H]([NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)C(C)(C)O ZINC000683693029 546076734 /nfs/dbraw/zinc/07/67/34/546076734.db2.gz ZNQXFHSFUUJSIR-LEUOFYLZSA-N 2 0 302.462 2.931 20 0 DFADRP C[C@H]([NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)C(C)(C)O ZINC000683693033 546077356 /nfs/dbraw/zinc/07/73/56/546077356.db2.gz ZNQXFHSFUUJSIR-OWLYRPNTSA-N 2 0 302.462 2.931 20 0 DFADRP C[C@H](O)C[C@@H]1CCCC[N@@H+]1Cc1ccc(OCC[NH+](C)C)cc1 ZINC000684149279 546158850 /nfs/dbraw/zinc/15/88/50/546158850.db2.gz WPZAFDGKTZWLBY-WMZOPIPTSA-N 2 0 320.477 2.752 20 0 DFADRP C[N@H+](CCC(=O)N1CCC[C@H]1[C@H]1CCC[NH+]1C)C1CCCCC1 ZINC000684163267 546161589 /nfs/dbraw/zinc/16/15/89/546161589.db2.gz JJSLYTQGRIZUMM-MSOLQXFVSA-N 2 0 321.509 2.726 20 0 DFADRP CO[C@@H](C)C[N@H+](C)Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000685447467 546351542 /nfs/dbraw/zinc/35/15/42/546351542.db2.gz BAPBTQURRUCSDQ-INIZCTEOSA-N 2 0 306.450 2.628 20 0 DFADRP CC[C@@H](C[NH2+]Cc1ccc(OCC[NH+]2CCCC2)cc1)OC ZINC000685631961 546378056 /nfs/dbraw/zinc/37/80/56/546378056.db2.gz SVYUDJYLEOFLBD-KRWDZBQOSA-N 2 0 306.450 2.676 20 0 DFADRP CCc1[nH+]c2ccccc2c(N2CCC([NH2+]CCO)CC2)c1C ZINC000685913516 546408569 /nfs/dbraw/zinc/40/85/69/546408569.db2.gz FNHDTBCGMVWTMF-UHFFFAOYSA-N 2 0 313.445 2.656 20 0 DFADRP C[NH+](C)CCOCC[NH2+][C@@H](C[C@@H]1CCCO1)c1ccc(F)cc1 ZINC000353595357 282108055 /nfs/dbraw/zinc/10/80/55/282108055.db2.gz JQZZRRGWLQWWJQ-ROUUACIJSA-N 2 0 324.440 2.604 20 0 DFADRP Cc1nc(F)ccc1C[NH+]1CCC(OCC[NH+]2CCCC2)CC1 ZINC000278438145 214153692 /nfs/dbraw/zinc/15/36/92/214153692.db2.gz LBVYAYRGPMNISQ-UHFFFAOYSA-N 2 0 321.440 2.606 20 0 DFADRP C[C@H]([NH2+]CCC[N@@H+]1CCCO[C@H](C)C1)c1ccc2c(c1)CCO2 ZINC000278435637 214151998 /nfs/dbraw/zinc/15/19/98/214151998.db2.gz HDUXAQDXUXJLMV-CVEARBPZSA-N 2 0 318.461 2.773 20 0 DFADRP COc1ccc([C@H](C)[NH2+]CCC[N@@H+]2CCCO[C@H](C)C2)cc1F ZINC000278459492 214167105 /nfs/dbraw/zinc/16/71/05/214167105.db2.gz JAIMOMLZXPOBJS-CABCVRRESA-N 2 0 324.440 2.986 20 0 DFADRP C[C@H]([NH2+]CC1CC[NH+](C2CC2)CC1)c1ccc([S@@](C)=O)cc1 ZINC000278495247 214190373 /nfs/dbraw/zinc/19/03/73/214190373.db2.gz PYLVNPQLPJXZIM-RCDICMHDSA-N 2 0 320.502 2.949 20 0 DFADRP C[NH+](C)CCCOc1ccc(C[NH2+]C[C@@H]2CCSC2)cc1 ZINC000278498300 214191974 /nfs/dbraw/zinc/19/19/74/214191974.db2.gz NFJLNOMVPBOMLY-INIZCTEOSA-N 2 0 308.491 2.860 20 0 DFADRP C[NH+](C)CCOc1ccc(CC[NH2+]C[C@@H]2CCSC2)cc1 ZINC000278531786 214216794 /nfs/dbraw/zinc/21/67/94/214216794.db2.gz RTRSNZDYGQWEJA-INIZCTEOSA-N 2 0 308.491 2.512 20 0 DFADRP CC[NH+](CC)CCN(Cc1cccs1)C(=O)[C@@H]1CC[C@@H]([NH3+])C1 ZINC000163801716 197649612 /nfs/dbraw/zinc/64/96/12/197649612.db2.gz LNKPSEXILWPXKW-HUUCEWRRSA-N 2 0 323.506 2.546 20 0 DFADRP CC[NH+](CC)[C@@H](C)CNC1CC[NH+](Cc2ccccc2)CC1 ZINC000078880628 185121997 /nfs/dbraw/zinc/12/19/97/185121997.db2.gz VDNVYBCNGGOJNP-KRWDZBQOSA-N 2 0 303.494 2.971 20 0 DFADRP C[C@H](CN[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)[NH+](C)C ZINC000278624042 214283034 /nfs/dbraw/zinc/28/30/34/214283034.db2.gz GLBOTTQYLKHEDJ-OWYHZJEWSA-N 2 0 301.478 2.722 20 0 DFADRP C[C@H]([NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1)c1ccc2c(c1)OCO2 ZINC000278715481 214348057 /nfs/dbraw/zinc/34/80/57/214348057.db2.gz VTKIMFSKTZGTNG-GJZGRUSLSA-N 2 0 320.433 2.567 20 0 DFADRP COc1ccc([C@H](C)[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)cc1OC ZINC000318886907 231177318 /nfs/dbraw/zinc/17/73/18/231177318.db2.gz NQZHETFOBZUBJT-BPUTZDHNSA-N 2 0 304.434 2.981 20 0 DFADRP Cc1nccn1[C@@H]1CCC[N@@H+](CC(=O)N(C)[C@H](C)CC(C)C)C1 ZINC000591906359 398349133 /nfs/dbraw/zinc/34/91/33/398349133.db2.gz LKIWUFPRYOIGLB-NVXWUHKLSA-N 2 0 320.481 2.721 20 0 DFADRP Cc1nccn1[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)N(C(C)C)C(C)C)C1 ZINC000591905706 398348338 /nfs/dbraw/zinc/34/83/38/398348338.db2.gz GXUUTXHFZXLTKB-DOTOQJQBSA-N 2 0 320.481 2.862 20 0 DFADRP CC[C@H](C)[N@H+](C)CCNC(=O)c1cccc(C[NH+]2CCCC2)c1 ZINC000066124833 398357947 /nfs/dbraw/zinc/35/79/47/398357947.db2.gz NOSBEWQGSRXLIS-INIZCTEOSA-N 2 0 317.477 2.743 20 0 DFADRP Cc1nccn1[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)N2CCCCCC2)C1 ZINC000591906430 398349546 /nfs/dbraw/zinc/34/95/46/398349546.db2.gz OFYKQWSGQXNCAV-DOTOQJQBSA-N 2 0 318.465 2.620 20 0 DFADRP CC[NH+]1CCC(C[NH2+]Cc2c[nH]nc2-c2ccc(C)o2)CC1 ZINC000065996820 398354056 /nfs/dbraw/zinc/35/40/56/398354056.db2.gz DNDKEZKTISKPGG-UHFFFAOYSA-N 2 0 302.422 2.800 20 0 DFADRP C[C@H](NC(=O)CC[C@H]([NH3+])c1ccccc1)C(C)(C)C[NH+](C)C ZINC000237610819 398371189 /nfs/dbraw/zinc/37/11/89/398371189.db2.gz RYUUNEIRHFSRGD-HOCLYGCPSA-N 2 0 305.466 2.559 20 0 DFADRP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@@H+]2C[C@@H]1C[C@H]1c1ccccc1 ZINC000459352553 299086268 /nfs/dbraw/zinc/08/62/68/299086268.db2.gz HSXNRLPNUUETLU-PXTPFGJHSA-N 2 0 314.473 2.974 20 0 DFADRP CC[NH+]1CCN([C@@H]2CC[N@H+](CC3CCC(F)(F)CC3)C2)CC1 ZINC000459359901 299087730 /nfs/dbraw/zinc/08/77/30/299087730.db2.gz YKBYDHATJRPGPA-MRXNPFEDSA-N 2 0 315.452 2.524 20 0 DFADRP CCC[N@H+](CC)Cc1ccc(C(=O)N[C@H]2CC[NH2+][C@@H](C)C2)cc1 ZINC000278209136 214024341 /nfs/dbraw/zinc/02/43/41/214024341.db2.gz HLBQLOWEOZLCJH-YJBOKZPZSA-N 2 0 317.477 2.789 20 0 DFADRP Cc1cc(C)c([C@H](C)[NH2+]C[C@H](C)N2CC[NH+](C)CC2)cc1C ZINC000127812986 282957515 /nfs/dbraw/zinc/95/75/15/282957515.db2.gz DVAIOIGTGSYUET-ROUUACIJSA-N 2 0 303.494 2.898 20 0 DFADRP Cc1ccn2c(C[NH+]3CCC(CC[NH+](C)C)CC3)cnc2c1 ZINC000092381091 185314805 /nfs/dbraw/zinc/31/48/05/185314805.db2.gz NPHOACMFFOSBRP-UHFFFAOYSA-N 2 0 300.450 2.806 20 0 DFADRP O[C@H]1CCC[C@H]1[NH+]1CCC([NH2+]Cc2ccc3occc3c2)CC1 ZINC000286608652 219079967 /nfs/dbraw/zinc/07/99/67/219079967.db2.gz RLRQXQXQNOGEJX-MSOLQXFVSA-N 2 0 314.429 2.900 20 0 DFADRP CC[N@@H+]1CC[C@@H](C[NH2+][C@@H](C)c2sc(CCOC)nc2C)C1 ZINC000092739767 185337965 /nfs/dbraw/zinc/33/79/65/185337965.db2.gz RQYJVYBRSQEGGZ-JSGCOSHPSA-N 2 0 311.495 2.633 20 0 DFADRP CC[NH+](CC)C[C@H]1CCN(CCC(=O)OCc2ccccc2)C1 ZINC000181466703 199300675 /nfs/dbraw/zinc/30/06/75/199300675.db2.gz TVCLKTLTSKACNQ-GOSISDBHSA-N 2 0 318.461 2.784 20 0 DFADRP OC[C@H]1CCC[N@@H+]1CCCC[NH2+]CCc1ccc(Cl)cc1 ZINC000459421746 299102527 /nfs/dbraw/zinc/10/25/27/299102527.db2.gz ZNLBLLONWJKDJW-QGZVFWFLSA-N 2 0 310.869 2.709 20 0 DFADRP C[N@@H+]1CCC[C@H](CC[NH2+]CCC(=O)Nc2ccc(Cl)cc2)C1 ZINC000584835228 398419234 /nfs/dbraw/zinc/41/92/34/398419234.db2.gz UOQJWABJRFSJLM-CQSZACIVSA-N 2 0 323.868 2.990 20 0 DFADRP CC(C)C[C@@H](CO)[NH2+]Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000067224101 398424150 /nfs/dbraw/zinc/42/41/50/398424150.db2.gz CFBQVRNSGZFDFG-SFHVURJKSA-N 2 0 320.477 2.658 20 0 DFADRP CC[N@@H+]1CC[C@H]([NH2+][C@@H]2CC[C@H](C(=O)OC(C)(C)C)C2)[C@H](C)C1 ZINC000592404427 398422528 /nfs/dbraw/zinc/42/25/28/398422528.db2.gz SNMPQKDRAMCAGY-QXSJWSMHSA-N 2 0 310.482 2.817 20 0 DFADRP C[N@@H+]1CC[C@H]([NH2+][C@@H]2CC[C@H](C(=O)OC(C)(C)C)C2)[C@H]2CCC[C@H]21 ZINC000592403450 398422669 /nfs/dbraw/zinc/42/26/69/398422669.db2.gz LIJUSRPYDSGXEI-JZAWBGDQSA-N 2 0 322.493 2.959 20 0 DFADRP C[C@H]([NH2+][C@@H]1CC[C@H](C(=O)OC(C)(C)C)C1)C1CC[NH+](C)CC1 ZINC000592402995 398422883 /nfs/dbraw/zinc/42/28/83/398422883.db2.gz KDVWQIRGJUCBTM-CWRNSKLLSA-N 2 0 310.482 2.817 20 0 DFADRP COC(=O)c1csc([C@H](C)[NH2+]Cc2ccc(C[NH3+])cc2)c1 ZINC000592470968 398431190 /nfs/dbraw/zinc/43/11/90/398431190.db2.gz PRFJZFNBWZCRLL-NSHDSACASA-N 2 0 304.415 2.844 20 0 DFADRP COCCOc1cccc(C[NH2+]C[C@H]2CC[N@@H+](C(C)C)C2)c1 ZINC000067507166 398437863 /nfs/dbraw/zinc/43/78/63/398437863.db2.gz OMWMYRYELYCDOR-QGZVFWFLSA-N 2 0 306.450 2.532 20 0 DFADRP C[N@H+](CC[C@H]1CCCC[NH+]1C)C[C@H](O)Cc1ccc(F)cc1 ZINC000292852390 529931757 /nfs/dbraw/zinc/93/17/57/529931757.db2.gz QSGUXISTZOETBJ-QZTJIDSGSA-N 2 0 308.441 2.535 20 0 DFADRP C[C@@H](C(=O)NC[C@H](c1ccccc1)[NH+](C)C)[NH+]1CCCCCC1 ZINC000025408047 398440767 /nfs/dbraw/zinc/44/07/67/398440767.db2.gz ZISWFZPRJGAMCP-FUHWJXTLSA-N 2 0 317.477 2.670 20 0 DFADRP CC[NH+](CC)[C@@H](C(=O)N1CCC[N@H+](CC)CC1)c1ccccc1 ZINC000067483442 398437227 /nfs/dbraw/zinc/43/72/27/398437227.db2.gz TYBKUNGSZINCCV-GOSISDBHSA-N 2 0 317.477 2.624 20 0 DFADRP CCO[C@@H]1C[C@@H]([NH2+]C2CC[NH+](C3CCCC3)CC2)[C@@H]1SC ZINC000459434214 299105576 /nfs/dbraw/zinc/10/55/76/299105576.db2.gz HJIGLBNMBVUZQM-ZACQAIPSSA-N 2 0 312.523 2.892 20 0 DFADRP CC1(C)[C@H]([NH2+]C2CCN(c3cc[nH+]cc3)CC2)[C@@H]2CCCO[C@H]21 ZINC000459435281 299106499 /nfs/dbraw/zinc/10/64/99/299106499.db2.gz XJTJGMFJPKJQMI-RCCFBDPRSA-N 2 0 315.461 2.844 20 0 DFADRP Cn1c2ccccc2nc1CCC[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000090050154 398476367 /nfs/dbraw/zinc/47/63/67/398476367.db2.gz REULPLBSXZOQOR-JKSUJKDBSA-N 2 0 312.461 2.722 20 0 DFADRP COc1ccc(OC)c(CCC[NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)c1 ZINC000181779836 199350622 /nfs/dbraw/zinc/35/06/22/199350622.db2.gz YPKDLCZDSMPCRP-ZBFHGGJFSA-N 2 0 306.450 2.709 20 0 DFADRP COc1ccc(OC)c(CCC[NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)c1 ZINC000181779820 199351050 /nfs/dbraw/zinc/35/10/50/199351050.db2.gz YPKDLCZDSMPCRP-GOEBONIOSA-N 2 0 306.450 2.709 20 0 DFADRP COc1ccnc(C[N@@H+]2CC[C@@H](CNc3cc(C)cc[nH+]3)C2)c1 ZINC000592806958 398487416 /nfs/dbraw/zinc/48/74/16/398487416.db2.gz QEXRHEBZTOVSAA-HNNXBMFYSA-N 2 0 312.417 2.728 20 0 DFADRP Cc1cc2ncn(C[C@H](O)C[N@@H+](C)[C@H](C)C3CC3)c2cc1C ZINC000303095142 398497376 /nfs/dbraw/zinc/49/73/76/398497376.db2.gz OEFFEYUMZJLJRU-GDBMZVCRSA-N 2 0 301.434 2.744 20 0 DFADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]Cc1cccc(-c2cnn(C)c2)c1 ZINC000090920328 398497542 /nfs/dbraw/zinc/49/75/42/398497542.db2.gz YPFZWLHXZBSCED-CLCXKQKWSA-N 2 0 312.461 2.905 20 0 DFADRP C[N@@H+]1CCN(CC[NH2+]C2CC(C)(c3ccccc3)C2)CC1(C)C ZINC000459528746 299126717 /nfs/dbraw/zinc/12/67/17/299126717.db2.gz LLZIEVFYYHULFY-UHFFFAOYSA-N 2 0 315.505 2.722 20 0 DFADRP FC(F)O[C@@H]1CCC[C@H]1[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000459528450 299126741 /nfs/dbraw/zinc/12/67/41/299126741.db2.gz CFIZEDLPHZSYPZ-HUUCEWRRSA-N 2 0 311.376 2.800 20 0 DFADRP COc1cc(C[NH2+]C[C@H]2CCC[N@H+](C)C2)ccc1OC(C)C ZINC000068722625 398522687 /nfs/dbraw/zinc/52/26/87/398522687.db2.gz IEKIMXIQIQCUIA-MRXNPFEDSA-N 2 0 306.450 2.914 20 0 DFADRP C[C@@H]1C[C@H](NC[C@@H]2CCC[NH+]2C)CC[N@@H+]1Cc1ccccc1 ZINC000272662365 210067263 /nfs/dbraw/zinc/06/72/63/210067263.db2.gz IGYKJEJUIXMDDT-QRQLOZEOSA-N 2 0 301.478 2.723 20 0 DFADRP CCC[NH+](CCC)CCCNC(=O)C1CC[NH+](C(C)C)CC1 ZINC000073338502 282522284 /nfs/dbraw/zinc/52/22/84/282522284.db2.gz HWSYLEDXJROWPU-UHFFFAOYSA-N 2 0 311.514 2.735 20 0 DFADRP C[C@@H](NC(=O)C[NH+]1CCC(CC[NH3+])CC1)c1ccccc1Cl ZINC000315936608 398528824 /nfs/dbraw/zinc/52/88/24/398528824.db2.gz IJPLTQKZTQDWSU-CYBMUJFWSA-N 2 0 323.868 2.578 20 0 DFADRP Cc1ccc(-c2noc(CN(C)CC[C@@H]([NH3+])C(C)C)n2)cc1 ZINC000317235049 398534232 /nfs/dbraw/zinc/53/42/32/398534232.db2.gz DMEQNXCUFYOYCO-OAHLLOKOSA-N 2 0 302.422 2.850 20 0 DFADRP C[NH+]1CCC(C)(C[NH2+]C2CCN(c3ccccc3)CC2)CC1 ZINC000272624355 210026081 /nfs/dbraw/zinc/02/60/81/210026081.db2.gz YWGLKWCLZRSHHH-UHFFFAOYSA-N 2 0 301.478 2.977 20 0 DFADRP C[C@@H]([NH2+]Cc1ccccc1C[NH+]1CCC(O)CC1)[C@H]1C[C@H]1C ZINC000414116830 295768877 /nfs/dbraw/zinc/76/88/77/295768877.db2.gz RMCWCIFIWJTVMH-CLCXKQKWSA-N 2 0 302.462 2.777 20 0 DFADRP COc1ccc(C[C@H](C)[NH2+]CCCCC[NH+]2CCCC2)cn1 ZINC000414142896 295771647 /nfs/dbraw/zinc/77/16/47/295771647.db2.gz NFRULDCHBYLBCJ-INIZCTEOSA-N 2 0 305.466 2.877 20 0 DFADRP CC[C@H]([NH2+]Cc1ccncc1OCC[NH+](C)C)[C@H]1CC1(C)C ZINC000414165580 295773496 /nfs/dbraw/zinc/77/34/96/295773496.db2.gz PXEKOQBPJNOMDG-CVEARBPZSA-N 2 0 305.466 2.936 20 0 DFADRP CC(C)[C@@H](CNC(=O)CCCCCC[NH3+])[NH+]1CCC(C)CC1 ZINC000236679789 201962507 /nfs/dbraw/zinc/96/25/07/201962507.db2.gz SWHOUAMDLCLRFB-QGZVFWFLSA-N 2 0 311.514 2.768 20 0 DFADRP CC[C@H]([NH2+]Cc1ccccc1C[NH2+]C)C1(C(=O)OC)CCC1 ZINC000593321226 398598364 /nfs/dbraw/zinc/59/83/64/398598364.db2.gz GTEPYHAWGKSMJZ-INIZCTEOSA-N 2 0 304.434 2.618 20 0 DFADRP COC(=O)CCC[C@@H]1CCC[C@@H]([NH2+]CCC2CC[NH2+]CC2)C1 ZINC000593321962 398598380 /nfs/dbraw/zinc/59/83/80/398598380.db2.gz KCWNFSOKFVWAKQ-DLBZAZTESA-N 2 0 310.482 2.868 20 0 DFADRP CCOC(=O)c1ccc(C[NH2+]CC2CC[NH+](CC3CC3)CC2)o1 ZINC000597248478 398606455 /nfs/dbraw/zinc/60/64/55/398606455.db2.gz XKIRSABNQFNFCK-UHFFFAOYSA-N 2 0 320.433 2.668 20 0 DFADRP CC(=O)Oc1ccc(C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C)C2)cc1 ZINC000139995296 186025410 /nfs/dbraw/zinc/02/54/10/186025410.db2.gz WTPUJORLTWSHOP-AEFFLSMTSA-N 2 0 302.418 2.528 20 0 DFADRP C[C@@H]([NH2+]Cc1cccnc1N1CC[NH+](C)CC1)c1ccccc1 ZINC000173357297 186180013 /nfs/dbraw/zinc/18/00/13/186180013.db2.gz UJHMNDNMMLMLMH-MRXNPFEDSA-N 2 0 310.445 2.684 20 0 DFADRP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@@H]1CC[C@@](C)(c2ccccc2)C1 ZINC000187982766 186239288 /nfs/dbraw/zinc/23/92/88/186239288.db2.gz OJDJZIVPCRPHOH-MISYRCLQSA-N 2 0 315.505 2.722 20 0 DFADRP OCCCC[NH2+][C@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000194226193 186270559 /nfs/dbraw/zinc/27/05/59/186270559.db2.gz WIJMHSOQMFLVGN-QRVBRYPASA-N 2 0 302.462 2.649 20 0 DFADRP C[C@H]([NH2+][C@H]1CCC[C@@H]1CCO)c1ccc(OCC[NH+](C)C)cc1 ZINC000188041247 186248628 /nfs/dbraw/zinc/24/86/28/186248628.db2.gz HTACPYMTRKDKFY-WDYCEAGBSA-N 2 0 320.477 2.829 20 0 DFADRP C[C@H](CCNC(=O)[C@@H]1CCC[C@@H]([NH3+])C1)[N@H+](C)Cc1ccccc1 ZINC000237457727 186292534 /nfs/dbraw/zinc/29/25/34/186292534.db2.gz LJGRVHGMECPJSP-KBAYOESNSA-N 2 0 317.477 2.531 20 0 DFADRP C[C@@H]1C[C@@H](NC(=O)CCCCCC[NH3+])C[N@@H+]1Cc1ccccc1 ZINC000237507007 186298771 /nfs/dbraw/zinc/29/87/71/186298771.db2.gz UXZZMEKYUTWUKY-SJLPKXTDSA-N 2 0 317.477 2.675 20 0 DFADRP CCCCCC(=O)NC1CC[NH+](C[C@H]2CC[NH2+][C@H](C)C2)CC1 ZINC000414688698 295816222 /nfs/dbraw/zinc/81/62/22/295816222.db2.gz DYANVBNWVYVZNP-CVEARBPZSA-N 2 0 309.498 2.535 20 0 DFADRP C[NH+](C)[C@H](CNC(=O)c1ccc(Nc2cc[nH+]cc2)cc1)C1CC1 ZINC000072996464 398654352 /nfs/dbraw/zinc/65/43/52/398654352.db2.gz SQEZHNBMVCMOCT-GOSISDBHSA-N 2 0 324.428 2.895 20 0 DFADRP CC[C@H](Cc1ccc(OC)c(OC)c1)[NH2+]CC[C@@H]1CC[NH2+]C1 ZINC000414827526 295822999 /nfs/dbraw/zinc/82/29/99/295822999.db2.gz HEHDYGYWGVJBNX-GOEBONIOSA-N 2 0 306.450 2.614 20 0 DFADRP COc1ccc(CC[C@@H](C)[NH2+]CC[C@H]2CCC[NH2+]C2)cc1O ZINC000414833184 295824001 /nfs/dbraw/zinc/82/40/01/295824001.db2.gz GHKQMDISVSVCEE-GDBMZVCRSA-N 2 0 306.450 2.701 20 0 DFADRP Clc1ccc(-n2cc(C[NH2+]CC[C@H]3CC[NH2+]C3)cn2)cc1 ZINC000414835328 295824013 /nfs/dbraw/zinc/82/40/13/295824013.db2.gz RNYUGVWKQZSAKB-CYBMUJFWSA-N 2 0 304.825 2.615 20 0 DFADRP C[N@@H+]1CCC[C@@H](CC[NH2+][C@H]2CCCN(Cc3ccccc3)C2)C1 ZINC000459743861 299179607 /nfs/dbraw/zinc/17/96/07/299179607.db2.gz XCOXUYFBPAHDBV-PMACEKPBSA-N 2 0 315.505 2.973 20 0 DFADRP C[C@H](CC(=O)Nc1cccc(F)c1)[NH2+][C@H](C)[C@H]1CCC[NH2+]C1 ZINC000414857134 295827049 /nfs/dbraw/zinc/82/70/49/295827049.db2.gz OYFITJZTHZDWGO-MCIONIFRSA-N 2 0 307.413 2.521 20 0 DFADRP C[C@@H](C[NH3+])C[NH2+]Cc1ccc(-n2ccc(C(F)(F)F)n2)cc1 ZINC000414870202 295828648 /nfs/dbraw/zinc/82/86/48/295828648.db2.gz BNCFJFZYRAEIKR-NSHDSACASA-N 2 0 312.339 2.576 20 0 DFADRP CSC1(C[NH2+]Cc2cc3cnccc3o2)CC[NH+](C)CC1 ZINC000593630078 398664095 /nfs/dbraw/zinc/66/40/95/398664095.db2.gz IRMJFBSTOIPYIX-UHFFFAOYSA-N 2 0 305.447 2.745 20 0 DFADRP Cc1ccc(C[NH2+]CC2(C)CC[NH2+]CC2)c(-c2ccnn2C)c1 ZINC000414897320 295831677 /nfs/dbraw/zinc/83/16/77/295831677.db2.gz DLWLOWXSLHGFCL-UHFFFAOYSA-N 2 0 312.461 2.875 20 0 DFADRP Cc1nc(COc2ccc(C[NH2+][C@H](C)CC[NH3+])cc2)cs1 ZINC000414898868 295832033 /nfs/dbraw/zinc/83/20/33/295832033.db2.gz UEXSHQITGPYVKA-GFCCVEGCSA-N 2 0 305.447 2.857 20 0 DFADRP C[C@H](CC[NH3+])[NH2+]Cc1c[nH]nc1-c1ccc(C(F)(F)F)cc1 ZINC000414901099 295832299 /nfs/dbraw/zinc/83/22/99/295832299.db2.gz WUNBYQBTWGCMDK-SNVBAGLBSA-N 2 0 312.339 2.922 20 0 DFADRP CC1(C[NH2+]Cc2c(F)cccc2N2CCCC2)CC[NH2+]CC1 ZINC000414900475 295832306 /nfs/dbraw/zinc/83/23/06/295832306.db2.gz HMFWUDOCBJVFLO-UHFFFAOYSA-N 2 0 305.441 2.905 20 0 DFADRP CC1(C[NH2+]C2CCN(Cc3ccccc3)CC2)CC[NH2+]CC1 ZINC000414911474 295833922 /nfs/dbraw/zinc/83/39/22/295833922.db2.gz UCOAFSZSAWOVBY-UHFFFAOYSA-N 2 0 301.478 2.630 20 0 DFADRP COCC1(C[NH2+]Cc2ccc(C(F)(F)F)cc2)CC[NH2+]CC1 ZINC000414943069 295838071 /nfs/dbraw/zinc/83/80/71/295838071.db2.gz CMALFAQWJJHUIE-UHFFFAOYSA-N 2 0 316.367 2.811 20 0 DFADRP Cc1nn(-c2cccc(F)c2)cc1C[NH2+]CCC[C@H]1CCC[NH2+]1 ZINC000414958854 295840989 /nfs/dbraw/zinc/84/09/89/295840989.db2.gz DRWHDGIDXVFLTR-KRWDZBQOSA-N 2 0 316.424 2.942 20 0 DFADRP C[C@@H]1C[NH2+]CC[C@H]1[NH2+]Cc1ccc(OCC(F)(F)F)c(F)c1 ZINC000414966904 295842118 /nfs/dbraw/zinc/84/21/18/295842118.db2.gz WTNPVBPJKWIACZ-ZWNOBZJWSA-N 2 0 320.330 2.854 20 0 DFADRP CC(C)[N@H+](C)CC1CC[NH+]([C@@H](C)C(=O)N2CCCCCC2)CC1 ZINC000590786828 398673921 /nfs/dbraw/zinc/67/39/21/398673921.db2.gz OAMSBUJZJXIPIR-KRWDZBQOSA-N 2 0 323.525 2.830 20 0 DFADRP COCC1(C[NH2+]Cc2cnc(C3CCC3)s2)CC[NH2+]CC1 ZINC000414967020 295842288 /nfs/dbraw/zinc/84/22/88/295842288.db2.gz COEIGUNWIMHIDV-UHFFFAOYSA-N 2 0 309.479 2.516 20 0 DFADRP COc1ccc(CC[C@H](C)[NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)cc1O ZINC000277165692 213339962 /nfs/dbraw/zinc/33/99/62/213339962.db2.gz GGPXCATVMPNRLD-HOCLYGCPSA-N 2 0 318.461 2.796 20 0 DFADRP CCCCCNC(=O)C[NH+]1CCC(CCC[NH+]2CCCC2)CC1 ZINC000122003610 282822134 /nfs/dbraw/zinc/82/21/34/282822134.db2.gz RKVZJQCAYMNQEK-UHFFFAOYSA-N 2 0 323.525 2.881 20 0 DFADRP C[C@@H](C[NH3+])N(C)C(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC000414980711 295843694 /nfs/dbraw/zinc/84/36/94/295843694.db2.gz WNBWXLAKYHAJRK-HNNXBMFYSA-N 2 0 318.465 2.526 20 0 DFADRP [NH3+][C@H]1CCC[C@H](C[NH2+]Cc2cc(Cl)c3c(c2)OCCO3)C1 ZINC000414990678 295844678 /nfs/dbraw/zinc/84/46/78/295844678.db2.gz IXTSZRIAXAZKOU-AAEUAGOBSA-N 2 0 310.825 2.718 20 0 DFADRP C[N@@H+]1CCC[C@@H](CC[NH2+]CCCc2ccc3c(c2)CCO3)C1 ZINC000459778366 299189849 /nfs/dbraw/zinc/18/98/49/299189849.db2.gz KVIQTVHLXOHFTE-KRWDZBQOSA-N 2 0 302.462 2.876 20 0 DFADRP O=C1CC[C@@H]([NH2+]CCCC2CCCCC2)[C@H](C2CC[NH2+]CC2)N1 ZINC000414997737 295845333 /nfs/dbraw/zinc/84/53/33/295845333.db2.gz ZKHSQYSYGZUWQV-MJGOQNOKSA-N 2 0 321.509 2.583 20 0 DFADRP Cn1c2ccc(Cl)cc2nc1C[NH2+]C[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000414994873 295845058 /nfs/dbraw/zinc/84/50/58/295845058.db2.gz DXSCVJVTESRERD-DGCLKSJQSA-N 2 0 306.841 2.834 20 0 DFADRP CC(C)C1CCC([NH2+]C[C@@H](N2CC[NH2+]CC2)C(F)(F)F)CC1 ZINC000414994559 295845117 /nfs/dbraw/zinc/84/51/17/295845117.db2.gz VMNNDPCEPLKLKO-YMAMQOFZSA-N 2 0 321.431 2.627 20 0 DFADRP COc1ccc(C[C@H](C)[NH2+]C[C@@H]2CCC[C@H]([NH3+])C2)cc1OC ZINC000415003620 295846064 /nfs/dbraw/zinc/84/60/64/295846064.db2.gz NJDQPUZVBHUFKH-IMJJTQAJSA-N 2 0 306.450 2.742 20 0 DFADRP CCC[NH+]1CCC([NH2+]CCn2c(C)nc3ccccc32)CC1 ZINC000102546547 398678532 /nfs/dbraw/zinc/67/85/32/398678532.db2.gz ALZMXIPIKOMMRC-UHFFFAOYSA-N 2 0 300.450 2.809 20 0 DFADRP COc1ccc(C[C@H](C)[NH2+]CC[C@H]2CCC[N@H+](C)C2)cc1OC ZINC000459784648 299192103 /nfs/dbraw/zinc/19/21/03/299192103.db2.gz ODBBGIIDJQUVCN-JKSUJKDBSA-N 2 0 320.477 2.956 20 0 DFADRP C[C@@H](CCCC[NH3+])[NH2+]C1CCN(CCc2ccccc2)CC1 ZINC000415015558 295847653 /nfs/dbraw/zinc/84/76/53/295847653.db2.gz OGDNHGSUUGJNFN-KRWDZBQOSA-N 2 0 303.494 2.801 20 0 DFADRP C[C@H](CCC[NH3+])[NH2+]Cc1nc2cc(C(F)(F)F)ccc2n1C ZINC000415021158 295847847 /nfs/dbraw/zinc/84/78/47/295847847.db2.gz JYYUYPFMXSSCPF-SNVBAGLBSA-N 2 0 314.355 2.809 20 0 DFADRP C[C@H](CCCC[NH3+])[NH2+]Cc1ccc(Oc2cnccn2)cc1 ZINC000415013868 295847266 /nfs/dbraw/zinc/84/72/66/295847266.db2.gz LKBNAUBHVWXMLG-CQSZACIVSA-N 2 0 300.406 2.876 20 0 DFADRP COc1ccc(NC(=O)C[C@@H](C)[NH2+][C@H](C)CCCC[NH3+])cc1 ZINC000415014477 295847320 /nfs/dbraw/zinc/84/73/20/295847320.db2.gz MHZRUFSJCMZFBI-ZIAGYGMSSA-N 2 0 307.438 2.519 20 0 DFADRP COc1cccc2c1CC[C@H]([NH2+]C[C@H]1CC[C@H](C[NH3+])CC1)C2 ZINC000415027451 295848301 /nfs/dbraw/zinc/84/83/01/295848301.db2.gz WHFTVXLPIZEPCW-ZOBUZTSGSA-N 2 0 302.462 2.907 20 0 DFADRP COc1cc(C[NH2+][C@@H]2CC[C@@H](C[NH3+])C2)c(SC)cc1OC ZINC000415028070 295848545 /nfs/dbraw/zinc/84/85/45/295848545.db2.gz CCOWAVDFGQKTAY-DGCLKSJQSA-N 2 0 310.463 2.643 20 0 DFADRP [NH3+]C[C@@H]1CC[C@@H]([NH2+]Cc2ccc(OCc3ccncc3)cc2)C1 ZINC000415043869 295850607 /nfs/dbraw/zinc/85/06/07/295850607.db2.gz SDTXVZXDBWLJIX-QZTJIDSGSA-N 2 0 311.429 2.878 20 0 DFADRP COc1cccc(C[NH2+][C@H]2CC[C@H](C[NH3+])C2)c1OC(F)F ZINC000415037922 295849872 /nfs/dbraw/zinc/84/98/72/295849872.db2.gz MVZVOMYKEUHYAG-JQWIXIFHSA-N 2 0 300.349 2.514 20 0 DFADRP CC[NH2+]Cc1cccc(NC(=O)C2CC[NH+](C(C)C)CC2)c1 ZINC000123392189 282847338 /nfs/dbraw/zinc/84/73/38/282847338.db2.gz UJXLQECNQMLIIA-UHFFFAOYSA-N 2 0 303.450 2.855 20 0 DFADRP [NH3+]C[C@H]1CC[C@H]([NH2+]Cc2cccc(OCC(F)(F)F)c2)C1 ZINC000415046850 295851047 /nfs/dbraw/zinc/85/10/47/295851047.db2.gz VKLRTNGSIIEZRY-AAEUAGOBSA-N 2 0 302.340 2.845 20 0 DFADRP CSc1ccc([C@@H](C)[NH2+]C[C@H](C)N2CC[NH+](C)CC2)cc1 ZINC000173390437 198209488 /nfs/dbraw/zinc/20/94/88/198209488.db2.gz AKOSTTWEAIIEND-LSDHHAIUSA-N 2 0 307.507 2.695 20 0 DFADRP CC(C)[C@@H](C[NH2+]C[C@@H](C)Cc1ccccc1)N1CC[NH+](C)CC1 ZINC000182051889 199380002 /nfs/dbraw/zinc/38/00/02/199380002.db2.gz VOGKMELXGBOEKX-AZUAARDMSA-N 2 0 317.521 2.727 20 0 DFADRP C[C@@H]1C[C@H](C[NH2+]Cc2ccnc(OCC(F)(F)F)c2)CC[NH2+]1 ZINC000415077681 295855046 /nfs/dbraw/zinc/85/50/46/295855046.db2.gz HSXVXLHMPGQWDM-VXGBXAGGSA-N 2 0 317.355 2.500 20 0 DFADRP C[C@H]([NH2+][C@@H]1CCCN(c2ccccc2Cl)C1)[C@@H]1CC[NH2+]C1 ZINC000415090811 295856765 /nfs/dbraw/zinc/85/67/65/295856765.db2.gz ZQIJZSGEBUBFDR-RRFJBIMHSA-N 2 0 307.869 2.896 20 0 DFADRP C[C@@H]1C[C@H](C[NH2+][C@H](c2ccn(C)n2)c2ccc(F)cc2)CC[NH2+]1 ZINC000415089680 295856411 /nfs/dbraw/zinc/85/64/11/295856411.db2.gz ZGCSLAVFPIWDKO-LBTNJELSSA-N 2 0 316.424 2.626 20 0 DFADRP C[C@]1(C[NH2+]CCc2ccccc2OC(F)(F)F)CC[NH2+]C1 ZINC000415089325 295856438 /nfs/dbraw/zinc/85/64/38/295856438.db2.gz WFCQHXRUDSPZMO-CQSZACIVSA-N 2 0 302.340 2.717 20 0 DFADRP Fc1cccc(C[NH+]2CCC(OCC[NH+]3CCCC3)CC2)c1 ZINC000173953233 198271822 /nfs/dbraw/zinc/27/18/22/198271822.db2.gz AGJIBXHHVZTFTK-UHFFFAOYSA-N 2 0 306.425 2.903 20 0 DFADRP C[C@H]([NH2+]CCCc1nc(-c2ccncc2)cs1)[C@@H]1CC[NH2+]C1 ZINC000415084385 295855935 /nfs/dbraw/zinc/85/59/35/295855935.db2.gz PAXNCELXSJYALV-DZGCQCFKSA-N 2 0 316.474 2.725 20 0 DFADRP C[C@H](NC(=O)CN(C)CC[C@@H]1CCCC[N@@H+]1C)c1cccs1 ZINC000173952268 198272302 /nfs/dbraw/zinc/27/23/02/198272302.db2.gz CLSYIVPEZHUINP-GJZGRUSLSA-N 2 0 323.506 2.732 20 0 DFADRP O=C(Nc1cccc(C[NH2+]C[C@H]2CCC[NH2+]C2)c1)C1CCC1 ZINC000415096599 295857466 /nfs/dbraw/zinc/85/74/66/295857466.db2.gz BPRQOGDDGQZXND-HNNXBMFYSA-N 2 0 301.434 2.514 20 0 DFADRP Cc1cc(C[NH+]2CCC([C@@H]3OCCC[C@@H]3[NH3+])CC2)ccc1F ZINC000415111238 295859498 /nfs/dbraw/zinc/85/94/98/295859498.db2.gz QJFJVJPOZLGQMW-ROUUACIJSA-N 2 0 306.425 2.852 20 0 DFADRP COCc1cccc(C[NH2+]CCCC[NH+]2C[C@@H](C)O[C@H](C)C2)c1 ZINC000174315847 198318684 /nfs/dbraw/zinc/31/86/84/198318684.db2.gz ZFOHJYLACICPTO-IAGOWNOFSA-N 2 0 320.477 2.812 20 0 DFADRP Clc1ccc(-c2ccc(C[NH2+]CCN3CC[NH2+]CC3)o2)cc1 ZINC000106950874 398701261 /nfs/dbraw/zinc/70/12/61/398701261.db2.gz AYPMEKPAVFJXDY-UHFFFAOYSA-N 2 0 319.836 2.595 20 0 DFADRP Cc1ccc(C[NH+]2CCC([C@@H]3C[C@@H]([NH3+])CCO3)CC2)cc1F ZINC000415121219 295860940 /nfs/dbraw/zinc/86/09/40/295860940.db2.gz HRUDVRZOGSVMMT-WMZOPIPTSA-N 2 0 306.425 2.852 20 0 DFADRP COCCCOc1cccc(C[NH2+][C@H]2CC[N@H+](C)[C@@H](C)C2)c1 ZINC000174517527 198345806 /nfs/dbraw/zinc/34/58/06/198345806.db2.gz PDQRMTIQJIKFNS-RDJZCZTQSA-N 2 0 306.450 2.674 20 0 DFADRP [NH3+]CC1(O)CC[NH+](Cc2ccc(F)c(-c3cccs3)c2)CC1 ZINC000415144619 295864466 /nfs/dbraw/zinc/86/44/66/295864466.db2.gz UXIMGFLRYGGWFP-UHFFFAOYSA-N 2 0 320.433 2.840 20 0 DFADRP CC[N@@H+]1CC[C@@H]([NH+](C)CCOc2ccc(OC)cc2)[C@H](C)C1 ZINC000174772385 198382190 /nfs/dbraw/zinc/38/21/90/198382190.db2.gz DJOXYJKVXMNMMN-CRAIPNDOSA-N 2 0 306.450 2.736 20 0 DFADRP C[C@@H]([NH3+])[C@@H](C)C(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC000277082487 213283089 /nfs/dbraw/zinc/28/30/89/213283089.db2.gz QOFXHXSQMNSUNR-HUUCEWRRSA-N 2 0 303.450 2.637 20 0 DFADRP CCCC[NH+]1CCC(NC(=O)[C@H](C)[C@H]([NH3+])c2ccccc2)CC1 ZINC000236758298 201996071 /nfs/dbraw/zinc/99/60/71/201996071.db2.gz OCGWGRDSGLABOX-QAPCUYQASA-N 2 0 317.477 2.703 20 0 DFADRP CCC(CC)(C[NH3+])NC(=O)c1cccc(C[NH+]2CCCC2)c1 ZINC000236804234 202017881 /nfs/dbraw/zinc/01/78/81/202017881.db2.gz YHQAGHNHLOFWGE-UHFFFAOYSA-N 2 0 303.450 2.530 20 0 DFADRP CN1CC[NH+](CCCC[NH2+][C@@H]2CCC[C@H](C(F)(F)F)C2)CC1 ZINC000129278644 283008866 /nfs/dbraw/zinc/00/88/66/283008866.db2.gz WVUKVMGNLSSCPN-LSDHHAIUSA-N 2 0 321.431 2.725 20 0 DFADRP CC[N@@H+]1CC[C@H]([NH2+]CCc2ccc(-n3cccn3)cc2)[C@H](C)C1 ZINC000129568042 283020542 /nfs/dbraw/zinc/02/05/42/283020542.db2.gz XWVLVHQHKVBVLR-APWZRJJASA-N 2 0 312.461 2.735 20 0 DFADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]CCc1ccc(-n2cccn2)cc1 ZINC000129575455 283021474 /nfs/dbraw/zinc/02/14/74/283021474.db2.gz GTZPDPCQCPNSEY-GPMSIDNRSA-N 2 0 312.461 2.733 20 0 DFADRP COc1ccccc1N1CCC([NH2+][C@@H](C)CC[NH+](C)C)CC1 ZINC000681113244 545599628 /nfs/dbraw/zinc/59/96/28/545599628.db2.gz KLHYJWBPVOWXSZ-HNNXBMFYSA-N 2 0 305.466 2.594 20 0 DFADRP C[C@H](C[NH2+][C@@H]1CC[C@H](c2ccccc2)C1)CN1CC[NH+](C)CC1 ZINC000131188833 283075053 /nfs/dbraw/zinc/07/50/53/283075053.db2.gz DKBWBZLSMXGKNJ-YZGWKJHDSA-N 2 0 315.505 2.796 20 0 DFADRP CC[NH2+]Cc1cccc(NC(=O)N[C@H](C)C(C)(C)C[NH+](C)C)c1 ZINC000415900376 295899993 /nfs/dbraw/zinc/89/99/93/295899993.db2.gz ACWBOIXRVBCKCW-CQSZACIVSA-N 2 0 320.481 2.894 20 0 DFADRP CCC[NH+]1CCC(N(C)C(=O)Nc2ccc3c(c2)C[NH2+]C3)CC1 ZINC000415994136 295909717 /nfs/dbraw/zinc/90/97/17/295909717.db2.gz HAPFRYKTKVTVJP-UHFFFAOYSA-N 2 0 316.449 2.628 20 0 DFADRP CCCN(CC[NH+]1CCCC1)C(=O)Nc1ccc2c(c1)C[NH2+]C2 ZINC000416014878 295911959 /nfs/dbraw/zinc/91/19/59/295911959.db2.gz SXQRYDGZUJLCEB-UHFFFAOYSA-N 2 0 316.449 2.630 20 0 DFADRP O=C(NCCCCC[NH+]1CCCC1)Nc1ccc2c(c1)C[NH2+]C2 ZINC000416020899 295912083 /nfs/dbraw/zinc/91/20/83/295912083.db2.gz YCUAOIFYUGSMLV-UHFFFAOYSA-N 2 0 316.449 2.677 20 0 DFADRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+]Cc1cscc1Cl ZINC000681135665 545601681 /nfs/dbraw/zinc/60/16/81/545601681.db2.gz AUBHLXPHHPVREO-GFCCVEGCSA-N 2 0 301.887 2.517 20 0 DFADRP CC[NH+](CC)[C@@H](CNC(=O)C[C@@H]([NH3+])c1ccccc1)CC(C)C ZINC000236823688 202027325 /nfs/dbraw/zinc/02/73/25/202027325.db2.gz YMZXUJDFVGSZMY-QZTJIDSGSA-N 2 0 319.493 2.949 20 0 DFADRP CN(Cc1ccccc1)C[C@@H](O)C[N@@H+]1CCC[C@@H]1C(C)(C)C ZINC000591472599 398765421 /nfs/dbraw/zinc/76/54/21/398765421.db2.gz ONLBRDRMMXUAGY-QZTJIDSGSA-N 2 0 304.478 2.990 20 0 DFADRP CN(Cc1ccccc1)C[C@H](O)C[N@@H+]1CCC[C@@H]1C(C)(C)C ZINC000591472601 398765467 /nfs/dbraw/zinc/76/54/67/398765467.db2.gz ONLBRDRMMXUAGY-ZWKOTPCHSA-N 2 0 304.478 2.990 20 0 DFADRP CC[NH+](CC)[C@@H](CNC(=O)[C@@H]([NH3+])CC(C)C)c1ccsc1 ZINC000236827339 202028100 /nfs/dbraw/zinc/02/81/00/202028100.db2.gz OONBABNIHFNMSO-GJZGRUSLSA-N 2 0 311.495 2.621 20 0 DFADRP CC[C@@H](Cc1cccs1)[NH2+][C@@H](C)CCN1CC[NH+](C)CC1 ZINC000681141441 545602559 /nfs/dbraw/zinc/60/25/59/545602559.db2.gz NVTDADUSZHZNKQ-HOTGVXAUSA-N 2 0 309.523 2.685 20 0 DFADRP c1nc(C2CC2)sc1C[NH+]1CCC(C[NH+]2CCOCC2)CC1 ZINC000134129029 283174126 /nfs/dbraw/zinc/17/41/26/283174126.db2.gz MYLPODMSSZDNNE-UHFFFAOYSA-N 2 0 321.490 2.565 20 0 DFADRP Cc1cccc(C[NH+]2CCC(C[NH+]3CCOCC3)CC2)c1C ZINC000134095510 283173172 /nfs/dbraw/zinc/17/31/72/283173172.db2.gz XMDCVSPOFKWIAC-UHFFFAOYSA-N 2 0 302.462 2.848 20 0 DFADRP CCOc1cccc(C[NH+]2CCC(C[NH+]3CCCC3)CC2)n1 ZINC000134212638 283176924 /nfs/dbraw/zinc/17/69/24/283176924.db2.gz HQJGBDGREIGKMJ-UHFFFAOYSA-N 2 0 303.450 2.788 20 0 DFADRP CC[NH+](CC)[C@H](CNC(=O)[C@@H]1CCC[C@@H]([NH3+])C1)c1ccccc1 ZINC000236880731 202049322 /nfs/dbraw/zinc/04/93/22/202049322.db2.gz DBQTYNSWFNEIHO-KZNAEPCWSA-N 2 0 317.477 2.703 20 0 DFADRP CC[NH+](CC)Cc1cccc(CNC(=O)C(CC)(CC)C[NH3+])c1 ZINC000236905256 202063143 /nfs/dbraw/zinc/06/31/43/202063143.db2.gz RSOOLKBAEQJCCQ-UHFFFAOYSA-N 2 0 319.493 2.910 20 0 DFADRP CC[NH+]1CCN(CCC[NH2+]Cc2ccc([C@H]3C[C@H]3C)o2)CC1 ZINC000236944579 202084835 /nfs/dbraw/zinc/08/48/35/202084835.db2.gz JPJASPTVQGNLQN-WBVHZDCISA-N 2 0 305.466 2.520 20 0 DFADRP CC[NH+](CC)Cc1ccc(CNC(=O)C2([NH3+])CCCCC2)cc1 ZINC000236916898 202070318 /nfs/dbraw/zinc/07/03/18/202070318.db2.gz MCJFBJGQEWKLQJ-UHFFFAOYSA-N 2 0 317.477 2.806 20 0 DFADRP CC[NH+](CC)Cc1ccc(CNC(=O)CC2CC[NH2+]CC2)cc1 ZINC000236917036 202070406 /nfs/dbraw/zinc/07/04/06/202070406.db2.gz VQHKMIOMCCGNHF-UHFFFAOYSA-N 2 0 317.477 2.534 20 0 DFADRP CCC[N@H+](CC1CC[NH2+]CC1)C[C@@H]1COc2ccccc2O1 ZINC000236972063 283195293 /nfs/dbraw/zinc/19/52/93/283195293.db2.gz LBZYIANKOFYJOD-MRXNPFEDSA-N 2 0 304.434 2.538 20 0 DFADRP CC[C@]1(C(=O)NCC[C@H](C)[N@H+](C)Cc2ccccc2)CCC[NH2+]1 ZINC000134617003 283194509 /nfs/dbraw/zinc/19/45/09/283194509.db2.gz RXIOOLNHHABFIQ-QFBILLFUSA-N 2 0 317.477 2.545 20 0 DFADRP C[C@@H]1CCC[N@H+](Cc2ccc(NC(=O)[C@]3(C)CCC[NH2+]3)cc2)C1 ZINC000121206789 398786275 /nfs/dbraw/zinc/78/62/75/398786275.db2.gz YXGWRJBXBZTCJL-BEFAXECRSA-N 2 0 315.461 2.999 20 0 DFADRP CC[C@H](C)[C@@H]([NH3+])C(=O)N1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000237043050 202132011 /nfs/dbraw/zinc/13/20/11/202132011.db2.gz QRLOKGSBZVYCIA-XYJFISCASA-N 2 0 323.525 2.863 20 0 DFADRP CC[C@H](C)[C@@H]([NH3+])C(=O)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000237084969 202148622 /nfs/dbraw/zinc/14/86/22/202148622.db2.gz LUSUVNZPGMJHRE-MAUKXSAKSA-N 2 0 317.477 2.662 20 0 DFADRP CCC[N@H+](CCC1CC[NH2+]CC1)C[C@@H]1COc2ccccc2O1 ZINC000359185038 283215622 /nfs/dbraw/zinc/21/56/22/283215622.db2.gz FHRWYKRAKBUSNT-QGZVFWFLSA-N 2 0 318.461 2.928 20 0 DFADRP C[C@H]([NH2+][C@H]1C[C@@H](C)CN(Cc2ccccc2)C1)[C@@H]1CCOC1 ZINC000136464271 283240384 /nfs/dbraw/zinc/24/03/84/283240384.db2.gz SQRIYYFCVVRVCM-JFRXWTBNSA-N 2 0 302.462 2.912 20 0 DFADRP C[C@@H](Cn1cccn1)[NH2+]C1CCC([NH+]2CCC(C)CC2)CC1 ZINC000138891991 283258302 /nfs/dbraw/zinc/25/83/02/283258302.db2.gz CWHUTNDAJYOWRW-AOCRQIFASA-N 2 0 304.482 2.904 20 0 DFADRP Cc1cc(N(CCC[NH+](C)C)CCC[NH+](C)C)nc(C(C)C)n1 ZINC000150999429 283273779 /nfs/dbraw/zinc/27/37/79/283273779.db2.gz VRTUXTPDMWFLRY-UHFFFAOYSA-N 2 0 321.513 2.618 20 0 DFADRP CC(C)[C@@H](C[NH2+][C@@H](C)C1CC[NH+](C)CC1)C(=O)OC(C)(C)C ZINC000594510605 398812529 /nfs/dbraw/zinc/81/25/29/398812529.db2.gz AAGVBCQVDXPJAL-GOEBONIOSA-N 2 0 312.498 2.920 20 0 DFADRP CC[C@H](C(=O)OC)[N@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000179394449 199028676 /nfs/dbraw/zinc/02/86/76/199028676.db2.gz UKXKLOZICJWJGC-QGZVFWFLSA-N 2 0 319.449 2.572 20 0 DFADRP CC(C)OC(=O)CC[NH+]1CCC(C[NH+]2CCCCCC2)CC1 ZINC000075625728 398814002 /nfs/dbraw/zinc/81/40/02/398814002.db2.gz BSDYMOFPZROCNE-UHFFFAOYSA-N 2 0 310.482 2.916 20 0 DFADRP COc1ccc(C[C@H](C)C[NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)cc1OC ZINC000179507511 199047438 /nfs/dbraw/zinc/04/74/38/199047438.db2.gz SBGUYRISICUGBK-ZMSDIMECSA-N 2 0 320.477 2.955 20 0 DFADRP COC(=O)c1ccc2c(c1)[C@@H]([NH2+]C[C@H](C)C[NH+](C)C)CCC2 ZINC000594524482 398816344 /nfs/dbraw/zinc/81/63/44/398816344.db2.gz QPAMCJBAUHFLFG-GUYCJALGSA-N 2 0 304.434 2.638 20 0 DFADRP CC(C)[N@H+](C)CC(=O)Nc1nc(CN2CCCCCC2)cs1 ZINC000127412887 398820599 /nfs/dbraw/zinc/82/05/99/398820599.db2.gz PGTKFHWPEHQDFR-UHFFFAOYSA-N 2 0 324.494 2.798 20 0 DFADRP COC[C@@H]([NH2+][C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21)C1CC1 ZINC000180180686 199127459 /nfs/dbraw/zinc/12/74/59/199127459.db2.gz SAEUNOXVGQXAMS-VNTMZGSJSA-N 2 0 314.473 2.912 20 0 DFADRP COC[C@H]([NH2+][C@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21)C1CC1 ZINC000180180704 199127767 /nfs/dbraw/zinc/12/77/67/199127767.db2.gz SAEUNOXVGQXAMS-MUGJNUQGSA-N 2 0 314.473 2.912 20 0 DFADRP C[C@H]1C[C@H]([NH2+]CCCOCCOCc2ccccc2)CC[N@@H+]1C ZINC000180231679 199133813 /nfs/dbraw/zinc/13/38/13/199133813.db2.gz DKPMOLWIJGSOEV-PKOBYXMFSA-N 2 0 320.477 2.682 20 0 DFADRP COc1cc([C@@H](C)[NH2+]C2CCN(CC[NH+](C)C)CC2)ccc1F ZINC000152833666 283341699 /nfs/dbraw/zinc/34/16/99/283341699.db2.gz BIVSBBDISDJTJA-CQSZACIVSA-N 2 0 323.456 2.511 20 0 DFADRP CC[NH+]1CCN(CCC[NH2+][C@H](C)c2ccc(F)c(OC)c2)CC1 ZINC000152892244 283343928 /nfs/dbraw/zinc/34/39/28/283343928.db2.gz MXEHXWGFFGLVAO-OAHLLOKOSA-N 2 0 323.456 2.513 20 0 DFADRP CCCc1ccc(C[N@@H+]2CC[C@@H](N3CC[NH+](CC)CC3)C2)s1 ZINC000598669740 398851162 /nfs/dbraw/zinc/85/11/62/398851162.db2.gz DITILHXVQKGYFX-MRXNPFEDSA-N 2 0 321.534 2.912 20 0 DFADRP COC(=O)c1cc(C[NH+]2CCC([C@@H]3CCC[NH2+]C3)CC2)oc1C ZINC000594734584 398851200 /nfs/dbraw/zinc/85/12/00/398851200.db2.gz BXVVVKIQVYGOPQ-OAHLLOKOSA-N 2 0 320.433 2.586 20 0 DFADRP CCC[NH+]1CCN(C2CC[NH+]([C@@H](C)c3cccnc3)CC2)CC1 ZINC000369156724 283347311 /nfs/dbraw/zinc/34/73/11/283347311.db2.gz POEQZOGFIIZKSR-KRWDZBQOSA-N 2 0 316.493 2.635 20 0 DFADRP COc1ccc2c(c1)[C@@H]([NH2+][C@H]1CN(C3CC3)C[C@H]1C)CCO2 ZINC000468019507 299275529 /nfs/dbraw/zinc/27/55/29/299275529.db2.gz IMZJYIALLVFKRS-DQYPLSBCSA-N 2 0 302.418 2.591 20 0 DFADRP CC[NH+](CC)Cc1cccc(C[NH2+][C@H](C)[C@H]2C[C@H]2C(=O)OC)c1 ZINC000594925903 398873350 /nfs/dbraw/zinc/87/33/50/398873350.db2.gz PVOWTCCDPBVWAQ-ZTFGCOKTSA-N 2 0 318.461 2.816 20 0 DFADRP CC[NH+](CC)Cc1cccc(C[NH2+][C@H](C)[C@H]2C[C@@H]2C(=O)OC)c1 ZINC000594925902 398873367 /nfs/dbraw/zinc/87/33/67/398873367.db2.gz PVOWTCCDPBVWAQ-OLMNPRSZSA-N 2 0 318.461 2.816 20 0 DFADRP C[NH+](C)CCOc1ccc(C[NH2+]CCCc2nccs2)cc1 ZINC000076892312 398874186 /nfs/dbraw/zinc/87/41/86/398874186.db2.gz AJELGQTXMNWUTK-UHFFFAOYSA-N 2 0 319.474 2.806 20 0 DFADRP CC[NH+]1CCC(CNC(=O)Nc2cccc(C[NH+](C)C)c2)CC1 ZINC000139382403 398882935 /nfs/dbraw/zinc/88/29/35/398882935.db2.gz DMGIRINUKWUESO-UHFFFAOYSA-N 2 0 318.465 2.602 20 0 DFADRP CCN1C[C@@H](C)[C@H]([NH2+]CCc2cccc(Br)c2)C1 ZINC000468508251 299279449 /nfs/dbraw/zinc/27/94/49/299279449.db2.gz XVDHNTZLGJRGAR-IUODEOHRSA-N 2 0 311.267 2.921 20 0 DFADRP CC(C)(C)OC(=O)C1(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)CCC1 ZINC000594993072 398887948 /nfs/dbraw/zinc/88/79/48/398887948.db2.gz ADMVDZYHAVZFCB-CABCVRRESA-N 2 0 308.466 2.715 20 0 DFADRP O=C(NC1CC[NH+](CCC2CC[NH2+]CC2)CC1)C1CCCCC1 ZINC000141325162 398894619 /nfs/dbraw/zinc/89/46/19/398894619.db2.gz GKXAUHCPEAKOLU-UHFFFAOYSA-N 2 0 321.509 2.537 20 0 DFADRP Cc1ccc2c(c1)[C@@H]([NH2+][C@H](C)CCN1CC[NH+](C)CC1)CC2 ZINC000186576445 199975978 /nfs/dbraw/zinc/97/59/78/199975978.db2.gz URNNARNLFDFMBC-APWZRJJASA-N 2 0 301.478 2.598 20 0 DFADRP CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)C[NH+]2[C@H](C)CC[C@@H]2C)C1 ZINC000469985514 299291138 /nfs/dbraw/zinc/29/11/38/299291138.db2.gz YKSDNTVCEYYQNB-BBWFWOEESA-N 2 0 323.525 2.876 20 0 DFADRP C[C@H]([NH2+]CCCC[NH+]1C[C@H](C)O[C@@H](C)C1)C1CCSCC1 ZINC000187101119 299290836 /nfs/dbraw/zinc/29/08/36/299290836.db2.gz FYKVXWGFWMCCDS-JYJNAYRXSA-N 2 0 314.539 2.997 20 0 DFADRP CC[NH+](CC)[C@@H](CNC(=O)c1coc(C[NH3+])c1)c1ccccc1 ZINC000187167766 200070629 /nfs/dbraw/zinc/07/06/29/200070629.db2.gz ILDLYOUVWKBLOI-KRWDZBQOSA-N 2 0 315.417 2.551 20 0 DFADRP CCC[NH+]1CCC(C[NH2+]C2CCC(CC(=O)OC)CC2)CC1 ZINC000599027769 398909965 /nfs/dbraw/zinc/90/99/65/398909965.db2.gz RYGAMUUSCWUKRL-UHFFFAOYSA-N 2 0 310.482 2.820 20 0 DFADRP COC(=O)CC1CCC([NH2+]C[C@@H](C)C[NH+]2CCCCC2)CC1 ZINC000599023135 398909377 /nfs/dbraw/zinc/90/93/77/398909377.db2.gz BTBHCYWLAIESCG-KLAILNCOSA-N 2 0 310.482 2.820 20 0 DFADRP COC(=O)CC1CCC([NH2+]C2CCC(C[NH+](C)C)CC2)CC1 ZINC000599042446 398911757 /nfs/dbraw/zinc/91/17/57/398911757.db2.gz SJABPLWCKYOEJP-UHFFFAOYSA-N 2 0 310.482 2.818 20 0 DFADRP Cc1nccnc1[C@@H](C)[NH2+]Cc1ccc(OCC[NH+](C)C)cc1 ZINC000187789066 200156405 /nfs/dbraw/zinc/15/64/05/200156405.db2.gz MLCSRQBGDUQMNN-OAHLLOKOSA-N 2 0 314.433 2.576 20 0 DFADRP COC(=O)CC1CCC([NH2+]CCCCC[NH+]2CCCC2)CC1 ZINC000599047941 398913163 /nfs/dbraw/zinc/91/31/63/398913163.db2.gz GSQURPDBKRETKE-UHFFFAOYSA-N 2 0 310.482 2.964 20 0 DFADRP CC[C@H]([NH2+]C[C@H](C)CN1CC[NH+](C)CC1)c1cccc(F)c1 ZINC000187955799 200182256 /nfs/dbraw/zinc/18/22/56/200182256.db2.gz KBSWCDIXNKQOBN-YJBOKZPZSA-N 2 0 307.457 2.750 20 0 DFADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+][C@@H](C)Cc2ccccc2F)CC1 ZINC000187956916 200183192 /nfs/dbraw/zinc/18/31/92/200183192.db2.gz FDQNOMWKARSHSX-IRXDYDNUSA-N 2 0 321.484 2.620 20 0 DFADRP COC(=O)CC1CCC([NH2+]CC2CC[NH+](CC3CC3)CC2)CC1 ZINC000599057168 398914323 /nfs/dbraw/zinc/91/43/23/398914323.db2.gz XSJNANRBKQVBKW-UHFFFAOYSA-N 2 0 322.493 2.820 20 0 DFADRP C[C@@H](CSC(C)(C)C)[NH2+][C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000370633506 295999941 /nfs/dbraw/zinc/99/99/41/295999941.db2.gz HHUBBTRWZMMKBF-GJZGRUSLSA-N 2 0 313.555 2.665 20 0 DFADRP CC(C)[NH+]1CCN([C@@H]2CC[N@H+](C[C@@H]3CC[C@H]4C[C@H]4C3)C2)CC1 ZINC000595336971 398923635 /nfs/dbraw/zinc/92/36/35/398923635.db2.gz IPLPSTNJSMPKRE-FCGDIQPGSA-N 2 0 305.510 2.523 20 0 DFADRP C[C@@H](C[NH2+][C@@H]1CC[C@H](Cc2ccccc2)C1)N1CC[NH+](C)CC1 ZINC000189152510 200356932 /nfs/dbraw/zinc/35/69/32/200356932.db2.gz LCJHVEAZCJLOKE-DFQSSKMNSA-N 2 0 315.505 2.623 20 0 DFADRP C[NH+](C)C1(CN[C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)CC1 ZINC000417353030 296013111 /nfs/dbraw/zinc/01/31/11/296013111.db2.gz HUFLRYCNFIYIJO-LDLYASANSA-N 2 0 313.489 2.866 20 0 DFADRP C[C@@H]([NH3+])CCC(=O)NC[C@@H](c1ccccc1)[NH+]1CCC(C)CC1 ZINC000193302857 296017492 /nfs/dbraw/zinc/01/74/92/296017492.db2.gz LKEUCXBUTCSDFD-AEFFLSMTSA-N 2 0 317.477 2.703 20 0 DFADRP CC[NH+](CC)[C@H](CNC(=O)[C@@H]1CCCC[N@@H+]1C)c1ccccc1 ZINC000599291141 398947981 /nfs/dbraw/zinc/94/79/81/398947981.db2.gz GWLRUPNQOAWCEJ-ZWKOTPCHSA-N 2 0 317.477 2.670 20 0 DFADRP CCc1ccccc1NC(=O)C[C@H](C)[NH2+]CC1=CC[N@H+](C)CC1 ZINC000271910441 209316452 /nfs/dbraw/zinc/31/64/52/209316452.db2.gz XWLJELNJLWKBKB-HNNXBMFYSA-N 2 0 315.461 2.818 20 0 DFADRP C[NH+]1CCC(O)(C[NH2+][C@@H]2CC[C@@](C)(c3ccccc3)C2)CC1 ZINC000275924893 212584573 /nfs/dbraw/zinc/58/45/73/212584573.db2.gz WOVOBJFDARIDQQ-QZTJIDSGSA-N 2 0 302.462 2.543 20 0 DFADRP Cc1cccc(NC(=O)C[C@H](C)[NH2+]CC2=CC[N@H+](C)CC2)c1C ZINC000271894444 209302643 /nfs/dbraw/zinc/30/26/43/209302643.db2.gz SYEOCRXCWLYNKP-HNNXBMFYSA-N 2 0 315.461 2.872 20 0 DFADRP CC[NH+](CC)CCOc1ccc(C[NH2+][C@H]2CCOC[C@@H]2C)cc1 ZINC000192479450 200885560 /nfs/dbraw/zinc/88/55/60/200885560.db2.gz UNEWATGAHRYCPQ-LPHOPBHVSA-N 2 0 320.477 2.922 20 0 DFADRP C[C@@H](C(=O)N(C)C1CCCCC1)[NH+]1CCC(CC[NH+](C)C)CC1 ZINC000056523453 398976478 /nfs/dbraw/zinc/97/64/78/398976478.db2.gz MMBLGZIHAGURCF-INIZCTEOSA-N 2 0 323.525 2.830 20 0 DFADRP CC[NH+]1CCN(CCC[NH2+]CCSCc2ccccc2)CC1 ZINC000193916021 201145540 /nfs/dbraw/zinc/14/55/40/201145540.db2.gz ARUIXGCRCWDFHD-UHFFFAOYSA-N 2 0 321.534 2.537 20 0 DFADRP CC(C)C[C@H](C(=O)OC(C)(C)C)N1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000599425519 398978291 /nfs/dbraw/zinc/97/82/91/398978291.db2.gz LBFCBGFSXUIBPB-CRAIPNDOSA-N 2 0 310.482 2.770 20 0 DFADRP CCC[C@@H]([NH2+]C(C)C)C(=O)NCC1([NH+](C)C)CCCCCC1 ZINC000473351851 299329544 /nfs/dbraw/zinc/32/95/44/299329544.db2.gz PZQYTRKGOQVCIE-MRXNPFEDSA-N 2 0 311.514 2.924 20 0 DFADRP C[C@H](C[NH2+]CC[C@H](C)c1ccccc1)CN1CC[NH+](C)CC1 ZINC000194415072 201222833 /nfs/dbraw/zinc/22/28/33/201222833.db2.gz PVWSGINSTCEAHC-MSOLQXFVSA-N 2 0 303.494 2.653 20 0 DFADRP CCOc1ccc(C[NH2+]CC2=CC[N@H+](C)CC2)cc1OCC ZINC000271847176 209264643 /nfs/dbraw/zinc/26/46/43/209264643.db2.gz HBVHTQZFMXLEKA-UHFFFAOYSA-N 2 0 304.434 2.836 20 0 DFADRP CC(C)(C(=O)NC[C@@H]([NH3+])c1ccccc1)[C@H]([NH3+])c1ccccc1 ZINC000417802180 296052575 /nfs/dbraw/zinc/05/25/75/296052575.db2.gz VFJRTCREOWDIML-IAGOWNOFSA-N 2 0 311.429 2.529 20 0 DFADRP [NH3+]CCC[C@H](NC(=O)CC1(C[NH3+])CCCCC1)c1ccccc1 ZINC000417824263 296054989 /nfs/dbraw/zinc/05/49/89/296054989.db2.gz BCSCCNRNCOGSPM-KRWDZBQOSA-N 2 0 317.477 2.882 20 0 DFADRP C[N@H+]1CC=C(C[NH2+]Cc2cnn(-c3ccc(Cl)cc3)c2)CC1 ZINC000271837695 209256606 /nfs/dbraw/zinc/25/66/06/209256606.db2.gz QETIUZCREJYSMY-UHFFFAOYSA-N 2 0 316.836 2.877 20 0 DFADRP C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)CC[C@@H]1CCC[NH2+]C1 ZINC000621642339 399007586 /nfs/dbraw/zinc/00/75/86/399007586.db2.gz KVPNYCGMSXUXOS-SJORKVTESA-N 2 0 309.498 2.537 20 0 DFADRP COc1cc(C)c([C@H](C)[NH2+]CC2=CC[N@H+](C)CC2)cc1OC ZINC000271829858 209249312 /nfs/dbraw/zinc/24/93/12/209249312.db2.gz DTRKFBLKQFZELN-AWEZNQCLSA-N 2 0 304.434 2.925 20 0 DFADRP CO[C@@H]1CC[C@H]([NH2+][C@@H](C)c2ccc(OCC[NH+](C)C)cc2)C1 ZINC000249031300 283761882 /nfs/dbraw/zinc/76/18/82/283761882.db2.gz LPILFVKFZVGHBD-QILLFSRXSA-N 2 0 306.450 2.845 20 0 DFADRP CC(C)[C@H]([NH2+]C1CCN(CC[NH+](C)C)CC1)c1ccccc1 ZINC000091283694 193030235 /nfs/dbraw/zinc/03/02/35/193030235.db2.gz YHHNGSORLUBCMK-IBGZPJMESA-N 2 0 303.494 2.999 20 0 DFADRP CC[NH+]1CCN([C@H](C)C[NH2+][C@@H](c2ccccc2)C(C)C)CC1 ZINC000091285548 193030796 /nfs/dbraw/zinc/03/07/96/193030796.db2.gz QBSZNRRVQOQYJK-IEBWSBKVSA-N 2 0 303.494 2.999 20 0 DFADRP CCC[N@H+](CC)C[C@H](C)NC(=O)NCc1ccc([C@H](C)[NH3+])cc1 ZINC000418204104 296081828 /nfs/dbraw/zinc/08/18/28/296081828.db2.gz PJCHXJKMLMIVEW-GJZGRUSLSA-N 2 0 320.481 2.626 20 0 DFADRP CCOc1cncc(CN2CC[C@H](C[NH+]3CCCCC3)C2)c1 ZINC000621717824 399043329 /nfs/dbraw/zinc/04/33/29/399043329.db2.gz OXHJVBONHAAIBR-MRXNPFEDSA-N 2 0 303.450 2.788 20 0 DFADRP COC(=O)[C@@H]1CC[N@H+](CCC[NH+]2CCCCC2)[C@@H]2CCC[C@H]21 ZINC000599653093 399046791 /nfs/dbraw/zinc/04/67/91/399046791.db2.gz IUSGPXOWSRMGPH-GVDBMIGSSA-N 2 0 308.466 2.526 20 0 DFADRP CC[NH+](CC)Cc1ccc(C(=O)NC[C@H]2CCCC[N@@H+]2CC)o1 ZINC000600445588 399054296 /nfs/dbraw/zinc/05/42/96/399054296.db2.gz RIIVULZDQORSID-OAHLLOKOSA-N 2 0 321.465 2.726 20 0 DFADRP CCC[C@H]([NH2+][C@@H]1CCN(C2CC[NH+](C)CC2)C1)c1cccnc1 ZINC000368330024 283937017 /nfs/dbraw/zinc/93/70/17/283937017.db2.gz VIOBXJIFWIRYCZ-MJGOQNOKSA-N 2 0 316.493 2.681 20 0 DFADRP CC[NH+](CC)CCC[N@@H+]1CC[C@H](C(=O)OC)[C@@H]2CCCC[C@@H]21 ZINC000595735072 399062127 /nfs/dbraw/zinc/06/21/27/399062127.db2.gz VKANTFAMCQMWEM-ULQDDVLXSA-N 2 0 310.482 2.772 20 0 DFADRP CC(C)C[C@H](CNC1=[NH+]CCCN1)[NH2+][C@@H](C)c1ccccc1 ZINC000479290214 299375071 /nfs/dbraw/zinc/37/50/71/299375071.db2.gz SYACNSQYTVFHNH-DOTOQJQBSA-N 2 0 302.466 2.691 20 0 DFADRP CC1=CCC[C@H](C)[C@@H]1C[NH2+]C1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000479438463 299377624 /nfs/dbraw/zinc/37/76/24/299377624.db2.gz NXKJDFAKJJIZNU-NQYYFHDYSA-N 2 0 306.494 2.946 20 0 DFADRP CC1=CCC[C@H](C)[C@@H]1C[NH2+]C1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000479438461 299377662 /nfs/dbraw/zinc/37/76/62/299377662.db2.gz NXKJDFAKJJIZNU-AITUJVMLSA-N 2 0 306.494 2.946 20 0 DFADRP CC1CC[NH+](CC(=O)NC(C)(C)CC[NH+]2CCCCCC2)CC1 ZINC000480045025 299385626 /nfs/dbraw/zinc/38/56/26/299385626.db2.gz NKKBVUHTLUVLOR-UHFFFAOYSA-N 2 0 323.525 2.879 20 0 DFADRP CN(C)[C@H](C[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1)c1cccs1 ZINC000250343818 202821639 /nfs/dbraw/zinc/82/16/39/202821639.db2.gz DXDKLNYCPGOAIY-CAOSSQGBSA-N 2 0 307.507 2.861 20 0 DFADRP C[C@@H]([NH2+]CCCC[NH+]1C[C@@H](C)O[C@H](C)C1)c1ccc(F)cn1 ZINC000271287888 296122272 /nfs/dbraw/zinc/12/22/72/296122272.db2.gz DLOLXAWMSMEJRA-RBSFLKMASA-N 2 0 309.429 2.761 20 0 DFADRP Cc1ccc(C[C@@H]([NH2+]C[C@H](O)C[NH+]2CCCCC2)C(C)C)cc1 ZINC000481027769 299390721 /nfs/dbraw/zinc/39/07/21/299390721.db2.gz VMZHENVPSUOGBA-VQTJNVASSA-N 2 0 318.505 2.999 20 0 DFADRP C[NH+]1CCN(Cc2ccc(C[NH2+][C@@H]3CCC34CCC4)cc2)CC1 ZINC000337508676 284076856 /nfs/dbraw/zinc/07/68/56/284076856.db2.gz HJWUXYFUTTVXNX-LJQANCHMSA-N 2 0 313.489 2.856 20 0 DFADRP [NH3+][C@@H](CC(=O)N1CCC([NH+]2CCCCC2)CC1)c1ccccc1 ZINC000261713399 203099616 /nfs/dbraw/zinc/09/96/16/203099616.db2.gz LIENFFURFPLFHP-SFHVURJKSA-N 2 0 315.461 2.553 20 0 DFADRP [NH3+][C@@H]1CCC[C@H]1CC(=O)Nc1ccc(CC[NH+]2CCCC2)cc1 ZINC000261797658 203119927 /nfs/dbraw/zinc/11/99/27/203119927.db2.gz QSSXSUCARYEXNU-FUHWJXTLSA-N 2 0 315.461 2.781 20 0 DFADRP CC(C)[C@@H](C[NH2+]Cc1cc(Cl)cs1)N1CC[NH+](C)CC1 ZINC000093094894 193203591 /nfs/dbraw/zinc/20/35/91/193203591.db2.gz OPRKKKJALBVYFP-OAHLLOKOSA-N 2 0 315.914 2.763 20 0 DFADRP CCC[C@@H]([NH3+])C(=O)NCc1ccccc1C[N@@H+]1CCC[C@H](C)C1 ZINC000262096700 203197051 /nfs/dbraw/zinc/19/70/51/203197051.db2.gz DPTPVSLBNXKFBB-MAUKXSAKSA-N 2 0 317.477 2.662 20 0 DFADRP CC(C)C[C@H]([NH3+])C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000262101425 203199671 /nfs/dbraw/zinc/19/96/71/203199671.db2.gz DDLUMGJIEHVIOV-NJAFHUGGSA-N 2 0 317.477 2.529 20 0 DFADRP CC[NH+]1CCN([C@@H]2CC[N@H+](Cc3ccc(C)c(C)c3)C2)CC1 ZINC000093133170 193205679 /nfs/dbraw/zinc/20/56/79/193205679.db2.gz JISNIRUWYCGICL-LJQANCHMSA-N 2 0 301.478 2.515 20 0 DFADRP CCC[C@@](C)([NH3+])C(=O)N1CC[C@H](C)[N@H+](Cc2ccccc2)CC1 ZINC000262334117 203266230 /nfs/dbraw/zinc/26/62/30/203266230.db2.gz WIIMGKBQLZXYKW-QFBILLFUSA-N 2 0 317.477 2.627 20 0 DFADRP C[C@@H]([NH2+]C(C)(C)CNC(=O)C1([NH3+])CCCCC1)c1ccccc1 ZINC000262642130 203361651 /nfs/dbraw/zinc/36/16/51/203361651.db2.gz LGPWVPUXDUQCQE-OAHLLOKOSA-N 2 0 317.477 2.894 20 0 DFADRP C[C@@H]([NH2+]C1(CNC(=O)C(C)(C)[NH3+])CCCC1)c1ccccc1 ZINC000262677016 203377369 /nfs/dbraw/zinc/37/73/69/203377369.db2.gz SVNRIUINERXMOB-CQSZACIVSA-N 2 0 303.450 2.504 20 0 DFADRP C[C@@H]([NH2+][C@@H](C)CN1CC[NH+](C)CC1)c1cnc2ccsc2c1 ZINC000155074600 296147006 /nfs/dbraw/zinc/14/70/06/296147006.db2.gz DUCSSGLSHSDIKI-UONOGXRCSA-N 2 0 318.490 2.583 20 0 DFADRP C[C@@H]1C[NH+](CCC2CC[NH+](Cc3cc[nH]c3)CC2)C[C@@H](C)O1 ZINC000093844354 193317328 /nfs/dbraw/zinc/31/73/28/193317328.db2.gz GIBXYZQRPMCOEM-HZPDHXFCSA-N 2 0 305.466 2.726 20 0 DFADRP COC(=O)c1ccccc1C[N@@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000595901249 399128014 /nfs/dbraw/zinc/12/80/14/399128014.db2.gz TWNLELBECAIHSD-MRXNPFEDSA-N 2 0 316.445 2.685 20 0 DFADRP C[C@@H]([NH2+]CCCC[N@@H+]1CCC[C@@H]1CO)c1ccccc1N(C)C ZINC000093944997 193330866 /nfs/dbraw/zinc/33/08/66/193330866.db2.gz MUNJWBAFYNROGS-IAGOWNOFSA-N 2 0 319.493 2.640 20 0 DFADRP COC(=O)c1ccc(C[N@@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)s1 ZINC000595901646 399129363 /nfs/dbraw/zinc/12/93/63/399129363.db2.gz ZMKBMAMPHGTHMK-CQSZACIVSA-N 2 0 322.474 2.746 20 0 DFADRP C[C@H]([NH2+]CC1CC[NH+](CCN(C)C)CC1)c1ccc(Cl)cn1 ZINC000274986246 212059321 /nfs/dbraw/zinc/05/93/21/212059321.db2.gz ZYJTXTLRSUIBBP-AWEZNQCLSA-N 2 0 324.900 2.659 20 0 DFADRP C[NH+]1CCN(c2cc(C[NH2+][C@@H]3CCC[C@H]4C[C@]43C)ccn2)CC1 ZINC000282393038 216960759 /nfs/dbraw/zinc/96/07/59/216960759.db2.gz XOPBSJABDODZBW-YQVWRLOYSA-N 2 0 314.477 2.502 20 0 DFADRP C[C@@H]([NH2+][C@H]1CC[C@H](O)CC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000274925761 212038112 /nfs/dbraw/zinc/03/81/12/212038112.db2.gz PUAXHTIDCGBMRS-QXCFHYIPSA-N 2 0 302.462 2.790 20 0 DFADRP C[C@H](Cn1ccnc1)[NH2+][C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000274913327 212028535 /nfs/dbraw/zinc/02/85/35/212028535.db2.gz NPRIQUZRTWLXAQ-AOIWGVFYSA-N 2 0 312.461 2.772 20 0 DFADRP CCOC(=O)c1[nH]c(C)c(C[NH+]2CCC(C[NH+](C)C)CC2)c1C ZINC000600109570 399137806 /nfs/dbraw/zinc/13/78/06/399137806.db2.gz MKIATFGHOPPKAI-UHFFFAOYSA-N 2 0 321.465 2.582 20 0 DFADRP CCOc1cc2[nH+]ccc(N3CC[NH2+]C[C@@H]3C)c2cc1OCC ZINC000420178428 296160578 /nfs/dbraw/zinc/16/05/78/296160578.db2.gz UKAAFCDOXOGVKX-ZDUSSCGKSA-N 2 0 315.417 2.830 20 0 DFADRP CC(C)Oc1ccc2[nH+]ccc(N[C@@H](CC[NH3+])C(F)F)c2c1 ZINC000420255803 296166282 /nfs/dbraw/zinc/16/62/82/296166282.db2.gz BVURLOHEEKGFCP-HNNXBMFYSA-N 2 0 309.360 2.838 20 0 DFADRP CCCc1ccc2[nH+]ccc(N3CCN([C@H]4CC[NH2+]C4)CC3)c2c1 ZINC000420267835 296167367 /nfs/dbraw/zinc/16/73/67/296167367.db2.gz WZEIILYNPBHZCL-KRWDZBQOSA-N 2 0 324.472 2.671 20 0 DFADRP OC[C@@H]1C=C[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC000341247244 284259284 /nfs/dbraw/zinc/25/92/84/284259284.db2.gz OXLFWRLEGYHBGL-MJIXASBWSA-N 2 0 312.457 2.709 20 0 DFADRP C[NH+](C)CCCCNC(=O)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000264838107 204197130 /nfs/dbraw/zinc/19/71/30/204197130.db2.gz AEAGEGRUKQUWKJ-UHFFFAOYSA-N 2 0 317.477 2.744 20 0 DFADRP COCC[N@H+](CCCc1ccccc1)CC[C@H]1CCC[NH2+]C1 ZINC000420296410 296171065 /nfs/dbraw/zinc/17/10/65/296171065.db2.gz DMIWSVWATMJMKK-LJQANCHMSA-N 2 0 304.478 2.957 20 0 DFADRP CC(C)[N@H+](CC[C@H]1CCC[NH2+]C1)CC(=O)Nc1ccc(F)cc1 ZINC000420299409 296171450 /nfs/dbraw/zinc/17/14/50/296171450.db2.gz GLIPKRLJMBAFQU-OAHLLOKOSA-N 2 0 321.440 2.864 20 0 DFADRP CCC[N@H+](CC[C@H]1CC[NH2+]C1)CC(=O)Nc1ccc(Cl)cc1 ZINC000420302533 296171943 /nfs/dbraw/zinc/17/19/43/296171943.db2.gz MMXANDCPLJCVHH-CQSZACIVSA-N 2 0 323.868 2.990 20 0 DFADRP Brc1cccc2c1C[N@H+](CC[C@H]1CC[NH2+]C1)CC2 ZINC000420306561 296172462 /nfs/dbraw/zinc/17/24/62/296172462.db2.gz QKZMYPQEAUNZHG-GFCCVEGCSA-N 2 0 309.251 2.807 20 0 DFADRP c1cc2c(c([C@H]3CCC[N@H+]3CC[C@H]3CC[NH2+]C3)c1)OCCO2 ZINC000420305930 296172727 /nfs/dbraw/zinc/17/27/27/296172727.db2.gz QDSFFDLCLOSFSW-GDBMZVCRSA-N 2 0 302.418 2.594 20 0 DFADRP C[NH2+]CCC1CC[NH+]([C@@H](C)C(=O)Nc2cc(C)cc(C)c2)CC1 ZINC000420307851 296172768 /nfs/dbraw/zinc/17/27/68/296172768.db2.gz MZOIHKAMBFKPAU-INIZCTEOSA-N 2 0 317.477 2.952 20 0 DFADRP CCOC(=O)CC[N@@H+]1CCCC[C@H]1[C@H](C[NH3+])Cc1ccccc1 ZINC000420314810 296173628 /nfs/dbraw/zinc/17/36/28/296173628.db2.gz QVTVSEBKBOHBMK-ROUUACIJSA-N 2 0 318.461 2.612 20 0 DFADRP C[C@H]1C[C@H](c2ccccc2)C[N@@H+]1C[C@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC000420315120 296173737 /nfs/dbraw/zinc/17/37/37/296173737.db2.gz ZRLRVCVQJLECSW-FIRPJDEBSA-N 2 0 324.468 2.795 20 0 DFADRP Cc1cc(-c2noc(C[N@@H+]3CCC[C@H](CC[NH3+])C3)n2)ccc1F ZINC000420313668 296173871 /nfs/dbraw/zinc/17/38/71/296173871.db2.gz PQLQBAIGGSOVAQ-CYBMUJFWSA-N 2 0 318.396 2.745 20 0 DFADRP c1ccc(C[N@@H+](CC[C@@H]2CCCCO2)[C@H]2CCC[NH2+]CC2)nc1 ZINC000420313717 296173897 /nfs/dbraw/zinc/17/38/97/296173897.db2.gz PTTJWSWFTGJWRM-OALUTQOASA-N 2 0 317.477 2.985 20 0 DFADRP c1ccc(COCCC[NH+]2CCC([C@@H]3CC[NH2+]C3)CC2)cc1 ZINC000420318188 296174530 /nfs/dbraw/zinc/17/45/30/296174530.db2.gz PTSDZHFJWGYRMG-LJQANCHMSA-N 2 0 302.462 2.915 20 0 DFADRP CC[N@H+](CCN1CC[NH2+]CC1)[C@@H](C)c1cc2ccccc2o1 ZINC000420322288 296174719 /nfs/dbraw/zinc/17/47/19/296174719.db2.gz SKEHMPRFPOBUED-HNNXBMFYSA-N 2 0 301.434 2.721 20 0 DFADRP CCOc1ccccc1OCC[N@@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420321066 296174788 /nfs/dbraw/zinc/17/47/88/296174788.db2.gz CFPXGQYLKHEYKU-IAGOWNOFSA-N 2 0 318.461 2.786 20 0 DFADRP C[N@@H+](Cc1ccccc1)CC1CC[NH+](CC[C@@H]2CC[NH2+]C2)CC1 ZINC000420321790 296174979 /nfs/dbraw/zinc/17/49/79/296174979.db2.gz RRVWRQHMUUNIAV-SFHVURJKSA-N 3 0 315.505 2.830 20 0 DFADRP COc1ccc([C@@H]2CCC[N@@H+]2CC[C@@H]2CC[NH2+]C2)c(OC)c1 ZINC000420324383 296175116 /nfs/dbraw/zinc/17/51/16/296175116.db2.gz VCOQNJQYRHADKY-YOEHRIQHSA-N 2 0 304.434 2.840 20 0 DFADRP CSc1ccccc1C[NH+]1CCC([C@@H]2OCC[C@H]2[NH3+])CC1 ZINC000420323272 296175342 /nfs/dbraw/zinc/17/53/42/296175342.db2.gz BFWFGOVVJBTQMY-WBVHZDCISA-N 2 0 306.475 2.737 20 0 DFADRP COc1ccc([C@@H]2CCC[N@@H+]2CC[C@H]2CC[NH2+]C2)c(OC)c1 ZINC000420324377 296175345 /nfs/dbraw/zinc/17/53/45/296175345.db2.gz VCOQNJQYRHADKY-PBHICJAKSA-N 2 0 304.434 2.840 20 0 DFADRP COc1ccc([C@H]2CCC[N@@H+]2CC[C@@H]2CC[NH2+]C2)c(OC)c1 ZINC000420324381 296175450 /nfs/dbraw/zinc/17/54/50/296175450.db2.gz VCOQNJQYRHADKY-WMLDXEAASA-N 2 0 304.434 2.840 20 0 DFADRP CO[C@H](C)c1nc(C[N@@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)cs1 ZINC000420321554 296174821 /nfs/dbraw/zinc/17/48/21/296174821.db2.gz CTKCKCWRINFASE-RDBSUJKOSA-N 2 0 309.479 2.672 20 0 DFADRP CCOc1ccccc1OCC[N@@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000420321064 296174882 /nfs/dbraw/zinc/17/48/82/296174882.db2.gz CFPXGQYLKHEYKU-DLBZAZTESA-N 2 0 318.461 2.786 20 0 DFADRP CSc1ccc(C[N@H+](C)CCN(C)C2CC[NH+](C)CC2)cc1 ZINC000271735134 209166883 /nfs/dbraw/zinc/16/68/83/209166883.db2.gz UZQQTWPYMDAHNC-UHFFFAOYSA-N 2 0 321.534 2.866 20 0 DFADRP CC(C)CCC[C@H](C)NC(=O)C[N@@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420335897 296177110 /nfs/dbraw/zinc/17/71/10/296177110.db2.gz IANLZZKOLVBYLM-KSZLIROESA-N 2 0 323.525 2.639 20 0 DFADRP c1csc(-c2cnc(C[N@H+]3CC[C@H]4C[NH2+]C[C@H]4CC3)o2)c1 ZINC000420338048 296177114 /nfs/dbraw/zinc/17/71/14/296177114.db2.gz NQVSTNZYIYYJAI-BETUJISGSA-N 2 0 303.431 2.835 20 0 DFADRP C[C@H](C(=O)NC1CCC(C)CC1)[NH+]1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000420334493 296176741 /nfs/dbraw/zinc/17/67/41/296176741.db2.gz GNAZQOLXWXHOKN-XPJGSDBHSA-N 2 0 321.509 2.534 20 0 DFADRP C[C@H](C(=O)N(C)c1ccccc1)[NH+]1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000420333722 296176744 /nfs/dbraw/zinc/17/67/44/296176744.db2.gz FPRJFBWGJQQMRB-QAPCUYQASA-N 2 0 315.461 2.502 20 0 DFADRP [NH3+]C[C@@H]1C[N@@H+]([C@@H]2CCCc3ccccc32)CC12CCOCC2 ZINC000420336663 296177024 /nfs/dbraw/zinc/17/70/24/296177024.db2.gz WCCLJPQBJKGJPK-SJLPKXTDSA-N 2 0 300.446 2.751 20 0 DFADRP COc1cccc(OCC[NH+]2CCC([C@@H]3CCC[NH2+]3)CC2)c1 ZINC000420343055 296177707 /nfs/dbraw/zinc/17/77/07/296177707.db2.gz YLEVUAHUGJUMJX-SFHVURJKSA-N 2 0 304.434 2.538 20 0 DFADRP CCc1ccc(NC(=O)C[N@@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)cc1 ZINC000420343904 296177730 /nfs/dbraw/zinc/17/77/30/296177730.db2.gz RRIGSBAQUKIVKB-DLBZAZTESA-N 2 0 315.461 2.509 20 0 DFADRP CC[NH+]1CCC([NH2+]CCCOc2cc(OC)cc(OC)c2)CC1 ZINC000271723692 209158187 /nfs/dbraw/zinc/15/81/87/209158187.db2.gz QSZGDLKQZZAJKP-UHFFFAOYSA-N 2 0 322.449 2.547 20 0 DFADRP c1csc(-c2noc(C[N@@H+]3CCC[C@H]([C@@H]4CC[NH2+]C4)C3)n2)c1 ZINC000420346037 296178257 /nfs/dbraw/zinc/17/82/57/296178257.db2.gz XGMVXJLNJJNMRG-OLZOCXBDSA-N 2 0 318.446 2.620 20 0 DFADRP COc1ccc([C@@H](C[NH3+])C[NH+]2CCC([C@H]3CCCO3)CC2)cc1 ZINC000420359063 296179437 /nfs/dbraw/zinc/17/94/37/296179437.db2.gz KDKZOQVWYZJJKK-PKOBYXMFSA-N 2 0 318.461 2.629 20 0 DFADRP C[C@@H](C[NH2+][C@H](c1ccc(F)cc1)C1CC1)CN1CC[NH+](C)CC1 ZINC000271721920 209156810 /nfs/dbraw/zinc/15/68/10/209156810.db2.gz OBPVONNPNFNJOE-KXBFYZLASA-N 2 0 319.468 2.750 20 0 DFADRP c1nc2ccccc2n1C[C@H]1CCC[N@H+]1CC[C@H]1CCC[NH2+]C1 ZINC000420365593 296180747 /nfs/dbraw/zinc/18/07/47/296180747.db2.gz FAFRZOSEKMDHGE-IAGOWNOFSA-N 2 0 312.461 2.890 20 0 DFADRP CC[NH+](CC)Cc1ccc(C(=O)N(C)[C@@H]2CC[N@H+](C)C[C@H]2C)o1 ZINC000607516253 399172791 /nfs/dbraw/zinc/17/27/91/399172791.db2.gz FXOURLIUTUXNRL-GDBMZVCRSA-N 2 0 321.465 2.534 20 0 DFADRP C[C@H](Cc1cccc(Cl)c1)[NH2+]CCCC[NH+]1CCOCC1 ZINC000282567037 217094479 /nfs/dbraw/zinc/09/44/79/217094479.db2.gz FASRBVQHVWYASQ-OAHLLOKOSA-N 2 0 310.869 2.973 20 0 DFADRP O=C(CC[N@@H+]1CCC[C@@]2(CC[NH2+]C2)C1)Nc1cccc(Cl)c1 ZINC000420367388 296181103 /nfs/dbraw/zinc/18/11/03/296181103.db2.gz KAZKSUSWILBDHL-KRWDZBQOSA-N 2 0 321.852 2.744 20 0 DFADRP COc1ccc(F)c(C[NH2+][C@H](C)c2ccc(C[NH3+])nc2C)c1 ZINC000622043549 399174941 /nfs/dbraw/zinc/17/49/41/399174941.db2.gz DGPALFWOHOLNJY-LLVKDONJSA-N 2 0 303.381 2.847 20 0 DFADRP COC(=O)[C@H](C)[C@@H]([NH2+]CCC1CC[NH2+]CC1)c1ccccc1 ZINC000420375082 296182400 /nfs/dbraw/zinc/18/24/00/296182400.db2.gz OZIXHPWHBOOEGC-RHSMWYFYSA-N 2 0 304.434 2.516 20 0 DFADRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+][C@@H](C)Cc1cccc(Cl)c1 ZINC000282644878 217148292 /nfs/dbraw/zinc/14/82/92/217148292.db2.gz LJWFGYZKDHRLRK-CVEARBPZSA-N 2 0 323.912 2.887 20 0 DFADRP [NH3+][C@@H]1CCCO[C@H]1C1CC[NH+](CCCOc2ccccc2)CC1 ZINC000420381384 296183382 /nfs/dbraw/zinc/18/33/82/296183382.db2.gz OXSIPXXRZAVMQS-MOPGFXCFSA-N 2 0 318.461 2.674 20 0 DFADRP COc1ccc(C[NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)c(C)c1OC ZINC000342090610 284324708 /nfs/dbraw/zinc/32/47/08/284324708.db2.gz VZSKQEOTKZTXDR-CQSZACIVSA-N 2 0 304.434 2.586 20 0 DFADRP CCc1cccc(C[NH+]2CCC([C@@H]3C[C@@H]([NH3+])CCO3)CC2)c1 ZINC000420391612 296185393 /nfs/dbraw/zinc/18/53/93/296185393.db2.gz OPDQFJZYIAHSCM-OALUTQOASA-N 2 0 302.462 2.967 20 0 DFADRP CSc1ccccc1NC(=O)CC[N@@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000420395608 296185728 /nfs/dbraw/zinc/18/57/28/296185728.db2.gz DODIFRURUGGBAR-KGLIPLIRSA-N 2 0 321.490 2.654 20 0 DFADRP Cc1cccc(OCC[NH+]2CCC([C@H]3C[C@H]([NH3+])CCO3)CC2)c1 ZINC000420395911 296185772 /nfs/dbraw/zinc/18/57/72/296185772.db2.gz UURAAAOVKAYFEK-IEBWSBKVSA-N 2 0 318.461 2.592 20 0 DFADRP O=C(CC[N@@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1)NCC1CCCCC1 ZINC000420395054 296185891 /nfs/dbraw/zinc/18/58/91/296185891.db2.gz KQGOFKQUOAHLOW-ZWKOTPCHSA-N 2 0 321.509 2.537 20 0 DFADRP CC(=O)Nc1cccc(C[N@@H+]2CCCC[C@H]2[C@@H]2CC[NH2+]C2)c1 ZINC000420402488 296186514 /nfs/dbraw/zinc/18/65/14/296186514.db2.gz QOWUDCNBVBWRFM-AEFFLSMTSA-N 2 0 301.434 2.609 20 0 DFADRP CCN1CC[C@@H]([NH2+]CCC[NH2+]C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000420422372 296188118 /nfs/dbraw/zinc/18/81/18/296188118.db2.gz ZICJLYORLSTMMB-HZPDHXFCSA-N 2 0 313.848 2.814 20 0 DFADRP CCC(C)(C)[NH2+][C@@H](C)C(=O)N[C@H](C[NH+](C)C)c1ccc(F)cc1 ZINC000288398162 220131956 /nfs/dbraw/zinc/13/19/56/220131956.db2.gz YOXZSWQTRCSMHL-XJKSGUPXSA-N 2 0 323.456 2.711 20 0 DFADRP C[N@@H+]1CC[C@@H](C(=O)Nc2ccccc2-c2ncc3n2CCCC3)C1 ZINC000614353916 399216115 /nfs/dbraw/zinc/21/61/15/399216115.db2.gz PPTQEZXEFJQVAD-CQSZACIVSA-N 2 0 324.428 2.777 20 0 DFADRP CSC1(C[NH2+]Cc2cccc(NC(C)=O)c2)CC[NH+](C)CC1 ZINC000601124454 399233899 /nfs/dbraw/zinc/23/38/99/399233899.db2.gz GFASCQXQLFOWLC-UHFFFAOYSA-N 2 0 321.490 2.562 20 0 DFADRP C[C@@H]([NH2+]CC1(N2CCCCC2)CC[NH+](C)CC1)[C@@H]1CC1(C)C ZINC000487290627 299455916 /nfs/dbraw/zinc/45/59/16/299455916.db2.gz CNEPYADFFNWKCA-SJORKVTESA-N 2 0 307.526 2.961 20 0 DFADRP CC[NH+]1CCC(N2CCC[N@H+](Cc3cccc(C)c3)CC2)CC1 ZINC000421004401 296223678 /nfs/dbraw/zinc/22/36/78/296223678.db2.gz IEAKZZSWQXZSIG-UHFFFAOYSA-N 2 0 315.505 2.987 20 0 DFADRP CC[C@@H](C(=O)N1CC[NH+](C2CCC(C(C)C)CC2)CC1)[NH+](C)C ZINC000622422225 399252958 /nfs/dbraw/zinc/25/29/58/399252958.db2.gz ZVJKYBFTBXVWBG-ABHNRTSZSA-N 2 0 323.525 2.686 20 0 DFADRP C[C@@H]1C[C@@H](C(=O)OC(C)(C)C)C[N@H+](CC[C@H]2CCC[NH+]2C)C1 ZINC000421028421 296228164 /nfs/dbraw/zinc/22/81/64/296228164.db2.gz UOLHOBGZEVGAHG-BZUAXINKSA-N 2 0 310.482 2.770 20 0 DFADRP C[C@@H]1C[C@H](C(=O)OC(C)(C)C)C[N@H+](CC[C@H]2CCC[NH+]2C)C1 ZINC000421028823 296228442 /nfs/dbraw/zinc/22/84/42/296228442.db2.gz UOLHOBGZEVGAHG-OWCLPIDISA-N 2 0 310.482 2.770 20 0 DFADRP CC(C)[C@H]1CN(C(=O)[C@H]2CCCC[NH+]2C2CCCC2)CC[N@@H+]1C ZINC000622555322 399259772 /nfs/dbraw/zinc/25/97/72/399259772.db2.gz SRWGTHQATIQKNE-QZTJIDSGSA-N 2 0 321.509 2.582 20 0 DFADRP CC[C@@H](C)[NH+]1CCN(C(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)CC1 ZINC000622658083 399265405 /nfs/dbraw/zinc/26/54/05/399265405.db2.gz PJAXGBOJILYHGE-SJLPKXTDSA-N 2 0 321.509 2.726 20 0 DFADRP CC(C)[C@H](C[NH2+]C1CC2(C1)CCCCC2)N1CC[NH+](C)CC1 ZINC000421324492 296244649 /nfs/dbraw/zinc/24/46/49/296244649.db2.gz IDGUZMBETANAFT-SFHVURJKSA-N 2 0 307.526 2.961 20 0 DFADRP CCOC(=O)C1(C)CCC([NH2+]C2CCC([NH+](C)C)CC2)CC1 ZINC000421369075 296249400 /nfs/dbraw/zinc/24/94/00/296249400.db2.gz GYVRLSICNCTNGA-UHFFFAOYSA-N 2 0 310.482 2.961 20 0 DFADRP C[C@H](CC(=O)N(C)c1ccccc1)[NH2+]C1CCC([NH+](C)C)CC1 ZINC000421375590 296250442 /nfs/dbraw/zinc/25/04/42/296250442.db2.gz QOHASMYIUVGMAB-KLAILNCOSA-N 2 0 317.477 2.890 20 0 DFADRP CC(C)[C@H](C[NH2+]Cc1ccc(Cl)cc1)N1CC[NH+](C)CC1 ZINC000040435530 183066475 /nfs/dbraw/zinc/06/64/75/183066475.db2.gz IABCXAUGWVLEFI-KRWDZBQOSA-N 2 0 309.885 2.702 20 0 DFADRP COC(=O)c1coc(C[NH+]2CCC(C[N@H+](C)C(C)C)CC2)c1 ZINC000609133550 399304709 /nfs/dbraw/zinc/30/47/09/399304709.db2.gz UMIUEESWTUYLQV-UHFFFAOYSA-N 2 0 308.422 2.618 20 0 DFADRP C[NH2+]CC1CC[NH+](Cc2cc(Br)cs2)CC1 ZINC000051756258 425883392 /nfs/dbraw/zinc/88/33/92/425883392.db2.gz FFGDBSWBCNWBSD-UHFFFAOYSA-N 2 0 303.269 2.942 20 0 DFADRP CCC[C@@H](C(=O)OCC)[N@@H+]1CC[C@@H](CNc2cc(C)cc[nH+]2)C1 ZINC000609635919 399327881 /nfs/dbraw/zinc/32/78/81/399327881.db2.gz XLNMMHPSZVAIPE-HOTGVXAUSA-N 2 0 319.449 2.856 20 0 DFADRP COC(=O)[C@H](c1ccccc1)N1CCC[C@H](n2ccnc2C)C1 ZINC000609799082 399332084 /nfs/dbraw/zinc/33/20/84/399332084.db2.gz IZUCCAAQCBGDRF-IRXDYDNUSA-N 2 0 313.401 2.743 20 0 DFADRP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccc3c(c2)ncn3C)[C@H](C)C1 ZINC000271882570 209292435 /nfs/dbraw/zinc/29/24/35/209292435.db2.gz VMLKWHQZMUEKPZ-PBHICJAKSA-N 2 0 300.450 2.735 20 0 DFADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2cc(C)nc(C)c2)[C@@H](C)C1 ZINC000421879459 296278578 /nfs/dbraw/zinc/27/85/78/296278578.db2.gz NEWDAWXDVLQENE-KXBFYZLASA-N 2 0 319.493 2.925 20 0 DFADRP Cn1nccc1[C@@H]1CCC[C@@H]([NH2+]C2CCC([NH+](C)C)CC2)C1 ZINC000421879613 296278459 /nfs/dbraw/zinc/27/84/59/296278459.db2.gz PCDPPWRFORUDFA-KZYLPZIUSA-N 2 0 304.482 2.909 20 0 DFADRP Cc1cc2ncc([C@H](C)[NH2+]C3CCC([NH+](C)C)CC3)c(C)n2n1 ZINC000421893626 296279132 /nfs/dbraw/zinc/27/91/32/296279132.db2.gz ZRWOKHQDURDKRT-JEYLPNPQSA-N 2 0 315.465 2.870 20 0 DFADRP CCCN(CC[NH+](C)C)C(=O)c1cccc(C[NH+]2CCCC2)c1 ZINC000104531222 194014544 /nfs/dbraw/zinc/01/45/44/194014544.db2.gz LFXDIBHYDHZQRZ-UHFFFAOYSA-N 2 0 317.477 2.696 20 0 DFADRP CC1(C)CC[C@@H]1[NH2+]Cc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC000284560495 218078403 /nfs/dbraw/zinc/07/84/03/218078403.db2.gz YGXRCASFFPYNIJ-SFHVURJKSA-N 2 0 302.462 2.922 20 0 DFADRP Cc1ccc(C[NH2+]Cc2ccc(C[NH+]3CCC(O)CC3)cc2)o1 ZINC000105495673 194107512 /nfs/dbraw/zinc/10/75/12/194107512.db2.gz VEFYKSMRCXTMCJ-UHFFFAOYSA-N 2 0 314.429 2.835 20 0 DFADRP C[NH+](C)[C@@H](CN[C@H]1CC[N@H+](C)C(C)(C)C1)Cc1ccccc1 ZINC000623335824 399365095 /nfs/dbraw/zinc/36/50/95/399365095.db2.gz GLTLEEACZNAIRF-ZWKOTPCHSA-N 2 0 303.494 2.622 20 0 DFADRP COc1ccc(C[NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)cc1OC1CC1 ZINC000623356474 399370980 /nfs/dbraw/zinc/37/09/80/399370980.db2.gz SELGQVUGPCYMLT-HNNXBMFYSA-N 2 0 316.445 2.810 20 0 DFADRP C[C@@H]([NH2+]CCCC[NH+](C)C)c1cc(Br)ncc1F ZINC000273813791 211081097 /nfs/dbraw/zinc/08/10/97/211081097.db2.gz BLHUPYWPRQPYDS-SNVBAGLBSA-N 2 0 318.234 2.976 20 0 DFADRP CCSCC[NH2+]Cc1ccccc1CN1CC[NH+](CC)CC1 ZINC000273803293 211071405 /nfs/dbraw/zinc/07/14/05/211071405.db2.gz VXUVJUOWDPPCHO-UHFFFAOYSA-N 2 0 321.534 2.667 20 0 DFADRP CCOc1ccc(C[N@H+](C)CC2CC[NH+](C[C@H](C)O)CC2)cc1 ZINC000105915553 194169017 /nfs/dbraw/zinc/16/90/17/194169017.db2.gz JEEIAUDDWGZEBQ-INIZCTEOSA-N 2 0 320.477 2.610 20 0 DFADRP COc1ccc(OCCC[NH2+][C@H]2CC[N@H+](C)C(C)(C)C2)cc1 ZINC000623374985 399375011 /nfs/dbraw/zinc/37/50/11/399375011.db2.gz YAFFXODSQHDHEL-HNNXBMFYSA-N 2 0 306.450 2.927 20 0 DFADRP C[C@@H]1Cc2ccccc2N1CC[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623380516 399376136 /nfs/dbraw/zinc/37/61/36/399376136.db2.gz BSQSXXFCBSCQEH-WBVHZDCISA-N 2 0 301.478 2.900 20 0 DFADRP C[N@@H+]1CC[C@H]([NH2+]Cc2cccc(Cn3cccn3)c2)CC1(C)C ZINC000623370874 399374041 /nfs/dbraw/zinc/37/40/41/399374041.db2.gz CBKSRWRFEQKLTO-SFHVURJKSA-N 2 0 312.461 2.894 20 0 DFADRP C[NH+](C)C[C@H](Cc1ccccc1)N[C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623370438 399374442 /nfs/dbraw/zinc/37/44/42/399374442.db2.gz KAVVDHMBBCFDEJ-ROUUACIJSA-N 2 0 303.494 2.622 20 0 DFADRP C[N@@H+]1CC[C@@H]([NH2+]CCN2CCCc3ccccc32)CC1(C)C ZINC000623381278 399376550 /nfs/dbraw/zinc/37/65/50/399376550.db2.gz KXPUBPIIQGKGHZ-QGZVFWFLSA-N 2 0 301.478 2.902 20 0 DFADRP COC(=O)c1ccc(C[NH2+]CCCC[N@@H+]2CCCC[C@@H]2C)n1C ZINC000602004040 399380525 /nfs/dbraw/zinc/38/05/25/399380525.db2.gz JQEIHMKLHFPWCM-HNNXBMFYSA-N 2 0 321.465 2.556 20 0 DFADRP Cn1c(CC[NH2+][C@@H]2CC[N@H+](C)C(C)(C)C2)nc2c1cccc2F ZINC000623419004 399384908 /nfs/dbraw/zinc/38/49/08/399384908.db2.gz OSSIVKVPBCLKBS-CYBMUJFWSA-N 2 0 318.440 2.717 20 0 DFADRP COC(=O)c1coc([C@@H](C)NCC[C@H]([NH3+])Cc2ccccc2)c1 ZINC000602023008 399385937 /nfs/dbraw/zinc/38/59/37/399385937.db2.gz VRRKGGXYWOBMOQ-CJNGLKHVSA-N 2 0 316.401 2.677 20 0 DFADRP COC(=O)c1csc([C@H](C)[NH2+][C@@H]2CC[NH2+]CC(C)(C)C2)c1 ZINC000602020556 399386073 /nfs/dbraw/zinc/38/60/73/399386073.db2.gz MHCYDIQXAFIECE-WCQYABFASA-N 2 0 310.463 2.964 20 0 DFADRP COC(=O)c1coc([C@@H](C)[NH2+]Cc2cccc3c2CC[NH2+]C3)c1 ZINC000602022282 399386098 /nfs/dbraw/zinc/38/60/98/399386098.db2.gz TVMVWGGNVDAWPZ-GFCCVEGCSA-N 2 0 314.385 2.563 20 0 DFADRP CCOC(=O)C1CCC([NH2+]Cc2cccc3c2CC[NH2+]C3)CC1 ZINC000602019559 399386303 /nfs/dbraw/zinc/38/63/03/399386303.db2.gz GQVABAHBDQNXML-UHFFFAOYSA-N 2 0 316.445 2.544 20 0 DFADRP COc1ccc(C[NH+]2CCC(C[NH3+])CC2)cc1Br ZINC000049596434 183745728 /nfs/dbraw/zinc/74/57/28/183745728.db2.gz WLOJPGJFYRVIQM-UHFFFAOYSA-N 2 0 313.239 2.628 20 0 DFADRP CCN(CC[NH2+][C@H](C)c1cccc(OCC[NH+](C)C)c1)C1CC1 ZINC000268838821 207002084 /nfs/dbraw/zinc/00/20/84/207002084.db2.gz MDTWJLPJEMBSOM-MRXNPFEDSA-N 2 0 319.493 2.762 20 0 DFADRP CC(C)n1ncc2cc(C[N@@H+]3C[C@H](C[NH3+])[C@H](C)C[C@@H]3C)cnc21 ZINC000422559674 296312229 /nfs/dbraw/zinc/31/22/29/296312229.db2.gz DTBAFCKCCAQPMY-KEYYUXOJSA-N 2 0 315.465 2.817 20 0 DFADRP C[C@@H]([NH2+][C@@H](C)Cn1ccnc1)c1cccc(OCC[NH+](C)C)c1 ZINC000268851684 207018239 /nfs/dbraw/zinc/01/82/39/207018239.db2.gz WKJTXWCBTSPRKM-JKSUJKDBSA-N 2 0 316.449 2.563 20 0 DFADRP CCC[C@](C)(O)C[NH2+][C@H](C)c1cccc(OCC[NH+](C)C)c1 ZINC000268860839 207028062 /nfs/dbraw/zinc/02/80/62/207028062.db2.gz GCAWFHNFLGOYGH-QAPCUYQASA-N 2 0 308.466 2.829 20 0 DFADRP C[N@@H+]1CC[C@H](N[C@H]2CC[NH+](C)C(C)(C)C2)[C@H]1c1ccccc1 ZINC000623475525 399397690 /nfs/dbraw/zinc/39/76/90/399397690.db2.gz PZAZQMUGPCOEAE-OKZBNKHCSA-N 2 0 301.478 2.894 20 0 DFADRP CC(C)Oc1cccc([C@H](O)C[NH2+][C@@H]2C[C@@H](C)[N@H+](C)C[C@@H]2C)c1 ZINC000268891462 207060158 /nfs/dbraw/zinc/06/01/58/207060158.db2.gz JUTUIDGGNIWLFM-OSGQAZFXSA-N 2 0 320.477 2.826 20 0 DFADRP CCN(CC)C(=O)C[C@@H](C)[NH2+]Cc1cccc(C[N@H+](C)CC)c1 ZINC000268899743 207069872 /nfs/dbraw/zinc/06/98/72/207069872.db2.gz MCPUUCSZIMEXTP-MRXNPFEDSA-N 2 0 319.493 2.875 20 0 DFADRP CCn1cc([C@H]2OCCC[C@@H]2[NH2+][C@H]2CC[N@H+](C)C(C)(C)C2)cn1 ZINC000623499018 399402386 /nfs/dbraw/zinc/40/23/86/399402386.db2.gz PSPOUYGEPSYPII-YESZJQIVSA-N 2 0 320.481 2.586 20 0 DFADRP Cc1cccc2oc(CC[NH2+][C@@H]3C[C@@H](C)[N@@H+](C)C[C@@H]3C)nc21 ZINC000268916853 207082300 /nfs/dbraw/zinc/08/23/00/207082300.db2.gz JEAFCGQNSAVOQN-RRFJBIMHSA-N 2 0 301.434 2.997 20 0 DFADRP CCOc1cc(C[NH2+][C@@H](C)C[C@H](C)[NH3+])ccc1OC(F)F ZINC000422695937 296318281 /nfs/dbraw/zinc/31/82/81/296318281.db2.gz QPRCBJVVILHYJC-QWRGUYRKSA-N 2 0 302.365 2.902 20 0 DFADRP COCCC[C@@H](C)[NH2+]CCc1ccc(OCC[NH+](C)C)cc1 ZINC000268914947 207083502 /nfs/dbraw/zinc/08/35/02/207083502.db2.gz UWWYQSXHQYOURT-MRXNPFEDSA-N 2 0 308.466 2.574 20 0 DFADRP CCC[C@](C)(O)C[NH2+][C@H](C)c1ccc(OCC[NH+](C)C)cc1 ZINC000268921908 207089485 /nfs/dbraw/zinc/08/94/85/207089485.db2.gz WVSYAZHJONBJFY-QAPCUYQASA-N 2 0 308.466 2.829 20 0 DFADRP CC[C@@H](NCC(C)(C)[N@@H+]1CCc2ccccc2C1)[C@@H]1CCC[NH2+]1 ZINC000422702572 296318560 /nfs/dbraw/zinc/31/85/60/296318560.db2.gz LBWSIDXHQQTZMK-MOPGFXCFSA-N 2 0 315.505 2.944 20 0 DFADRP C[C@H]([NH2+]CCCC[N@@H+]1CCC[C@@H]1CO)c1ccc(F)cc1F ZINC000268929650 207094998 /nfs/dbraw/zinc/09/49/98/207094998.db2.gz QIZKNDCRPYBYOJ-DZGCQCFKSA-N 2 0 312.404 2.852 20 0 DFADRP COc1ccccc1[C@H](CN[C@@H]1CCC[C@@H]1[NH3+])[NH+]1CCCCC1 ZINC000422704994 296318816 /nfs/dbraw/zinc/31/88/16/296318816.db2.gz BCJZGUXWJQHVFI-KSZLIROESA-N 2 0 317.477 2.692 20 0 DFADRP CCN(CC[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1)CCC(F)(F)F ZINC000623506791 399403986 /nfs/dbraw/zinc/40/39/86/399403986.db2.gz HXUSZMRSQNYLOT-ZDUSSCGKSA-N 2 0 309.420 2.723 20 0 DFADRP C[C@@H]([NH3+])C[C@@H](C)[NH2+]CCc1cc(Br)ccc1F ZINC000422703869 296318878 /nfs/dbraw/zinc/31/88/78/296318878.db2.gz OBEXNRJEILCRIG-NXEZZACHSA-N 2 0 303.219 2.846 20 0 DFADRP CC[C@H](C)[C@H](O)C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000268921999 207088777 /nfs/dbraw/zinc/08/87/77/207088777.db2.gz XBJSOXOPGOYOCB-OGWHTMIXSA-N 2 0 304.478 2.894 20 0 DFADRP C[C@H](C[NH2+][C@@H]1CCCC[C@H]1C[NH3+])N1CCc2sccc2C1 ZINC000422709120 296319926 /nfs/dbraw/zinc/31/99/26/296319926.db2.gz CUGLOVJQAQAQHI-IJEWVQPXSA-N 2 0 307.507 2.602 20 0 DFADRP OC[C@@H]1CCC[N@@H+]1CCCC[NH2+][C@H]1CCc2c1cccc2F ZINC000268945617 207108945 /nfs/dbraw/zinc/10/89/45/207108945.db2.gz UFJCFLJSJMUZNQ-KSSFIOAISA-N 2 0 306.425 2.640 20 0 DFADRP C[C@@H](NC[C@H]1CC[N@H+](CCc2ccccc2)C1)[C@@H]1CCCC[NH2+]1 ZINC000422718534 296320941 /nfs/dbraw/zinc/32/09/41/296320941.db2.gz PWAXDVLAWVLGKX-RLLQIKCJSA-N 2 0 315.505 2.671 20 0 DFADRP Cc1nc(C[NH3+])ccc1[C@H](C)NC[C@@H](C)C[NH+]1CCCCC1 ZINC000422717091 296320974 /nfs/dbraw/zinc/32/09/74/296320974.db2.gz VJOIERZLHZWAFG-CABCVRRESA-N 2 0 304.482 2.621 20 0 DFADRP CCC(CC)C(=O)N1CCC([NH2+][C@H](CC)[C@@H]2CCC[NH2+]2)CC1 ZINC000422718063 296320988 /nfs/dbraw/zinc/32/09/88/296320988.db2.gz LAIGIZZFOVREBY-SJORKVTESA-N 2 0 309.498 2.534 20 0 DFADRP C[NH+](C)CCCOc1ccc(CN[C@@H]2CCCCC[C@H]2[NH3+])cc1 ZINC000422718527 296321094 /nfs/dbraw/zinc/32/10/94/296321094.db2.gz PVYBKZBSOJFJDD-RTBURBONSA-N 2 0 319.493 2.767 20 0 DFADRP CC[C@H](NC[C@H](C)[N@@H+]1CCc2ccccc2C1)[C@@H]1CCC[NH2+]1 ZINC000422714536 296320681 /nfs/dbraw/zinc/32/06/81/296320681.db2.gz LAEUDFQBQBFEIS-SNRMKQJTSA-N 2 0 301.478 2.553 20 0 DFADRP CCC(CC)[C@H](O)C[NH2+][C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422718880 296320828 /nfs/dbraw/zinc/32/08/28/296320828.db2.gz XXYMUPYPIALSBP-SCTDSRPQSA-N 2 0 318.461 2.629 20 0 DFADRP CCC(CC)C(=O)N1CCC([NH2+][C@H]2CCCCC[C@@H]2[NH3+])CC1 ZINC000422718051 296320894 /nfs/dbraw/zinc/32/08/94/296320894.db2.gz KZXFKQXPDCXWBI-IRXDYDNUSA-N 2 0 309.498 2.663 20 0 DFADRP CC[NH+](CC)C[C@H](C)N[C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422720740 296321289 /nfs/dbraw/zinc/32/12/89/296321289.db2.gz SZTQGYUOOIRPRX-KVSKMBFKSA-N 2 0 317.477 2.562 20 0 DFADRP [NH3+]C[C@@H]1CCC[C@H]1[NH2+]C1CCN(Cc2ccc(F)c(F)c2)CC1 ZINC000422721051 296321339 /nfs/dbraw/zinc/32/13/39/296321339.db2.gz NHQUZFJFZSQZDH-KBXCAEBGSA-N 2 0 323.431 2.646 20 0 DFADRP CCOc1c(Cl)cc(C[NH2+][C@H](C)[C@@H]2CC[NH2+]C2)cc1OC ZINC000422721240 296321435 /nfs/dbraw/zinc/32/14/35/296321435.db2.gz NUEKLOWLORIWRZ-DGCLKSJQSA-N 2 0 312.841 2.835 20 0 DFADRP CC[C@H]([NH2+]CCc1ccc(OC)c(OC)c1)[C@@H]1CCCC[NH2+]1 ZINC000422728044 296322399 /nfs/dbraw/zinc/32/23/99/296322399.db2.gz ISLASODABFTPFF-HOTGVXAUSA-N 2 0 306.450 2.757 20 0 DFADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@H](O)c2ccc(OC(C)C)cc2)[C@H](C)C1 ZINC000268971030 207135009 /nfs/dbraw/zinc/13/50/09/207135009.db2.gz ZYBQGBDIXFVIHQ-MNEFBYGVSA-N 2 0 320.477 2.827 20 0 DFADRP CC(C)[C@](C)(O)C[NH2+]Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000602275537 399418008 /nfs/dbraw/zinc/41/80/08/399418008.db2.gz HHEGIAXXUPFCKV-LJQANCHMSA-N 2 0 320.477 2.658 20 0 DFADRP C[C@@H](NC1CC[NH+](Cc2ccc(F)cc2)CC1)[C@@H]1CCCC[NH2+]1 ZINC000422725012 296322266 /nfs/dbraw/zinc/32/22/66/296322266.db2.gz XIGIDLOJJXVVEY-BEFAXECRSA-N 2 0 319.468 2.910 20 0 DFADRP Cc1cccc(C(=O)NCC[NH2+][C@H](C)C[C@H]2CCCCC[NH2+]2)c1 ZINC000422729284 296322799 /nfs/dbraw/zinc/32/27/99/296322799.db2.gz HQSNVIKOEZQTEE-SJLPKXTDSA-N 2 0 317.477 2.625 20 0 DFADRP C[C@H]([NH3+])C[C@H](C)[NH2+]Cc1cccc(NC(=O)c2ccncc2)c1 ZINC000422729694 296322814 /nfs/dbraw/zinc/32/28/14/296322814.db2.gz IJYUWZYYXFCGMT-KBPBESRZSA-N 2 0 312.417 2.549 20 0 DFADRP C[C@@H](NC[C@H]1CCC[N@@H+]1Cc1ccccc1)[C@@H]1CCCC[NH2+]1 ZINC000422734373 296323373 /nfs/dbraw/zinc/32/33/73/296323373.db2.gz CQNYNUHPGGPHCA-QRQLOZEOSA-N 2 0 301.478 2.771 20 0 DFADRP CCOC(=O)CC[C@H]1CCC[N@H+](CC[C@@H]2CCCC[NH+]2C)C1 ZINC000611036224 399430034 /nfs/dbraw/zinc/43/00/34/399430034.db2.gz FIFILSUULAGNGS-SJORKVTESA-N 2 0 310.482 2.916 20 0 DFADRP Cn1cc(-c2ccc(C[NH2+]C[C@@H]3CCCC[N@H+](C)C3)s2)cn1 ZINC000623656933 399436384 /nfs/dbraw/zinc/43/63/84/399436384.db2.gz FYHDGGYFLDDELZ-AWEZNQCLSA-N 2 0 318.490 2.970 20 0 DFADRP C[N@@H+]1CCCC[C@H](C[NH2+]C2CCN(C(=O)CC(C)(C)C)CC2)C1 ZINC000623655830 399437009 /nfs/dbraw/zinc/43/70/09/399437009.db2.gz GSVGXOFVSJLFLQ-MRXNPFEDSA-N 2 0 323.525 2.735 20 0 DFADRP C[C@H](CC(=O)Nc1ccccc1)[NH2+]C[C@H]1CCCC[N@H+](C)C1 ZINC000623655643 399437381 /nfs/dbraw/zinc/43/73/81/399437381.db2.gz AZOAMXRMCGLOAM-HZPDHXFCSA-N 2 0 303.450 2.725 20 0 DFADRP C[C@H]1C[NH+](C(C)(C)CNc2cc[nH+]c3ccccc23)C[C@H](C)O1 ZINC000346588646 284905124 /nfs/dbraw/zinc/90/51/24/284905124.db2.gz AXBRSZMSNGWRLG-GJZGRUSLSA-N 2 0 313.445 2.956 20 0 DFADRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@@H](C)c1ccc(OC)c(OC)c1 ZINC000269073038 207221026 /nfs/dbraw/zinc/22/10/26/207221026.db2.gz NDBCLUADJPFNPN-GOEBONIOSA-N 2 0 324.465 2.711 20 0 DFADRP COC(=O)C(C)(C)[C@@H]1CCC[N@H+](CC[C@@H]2CCCC[NH+]2C)C1 ZINC000611322970 399462312 /nfs/dbraw/zinc/46/23/12/399462312.db2.gz ILVCBTGNVQPSPZ-CVEARBPZSA-N 2 0 310.482 2.772 20 0 DFADRP C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2ccc(-n3ccnc3)cc2)C1 ZINC000269137068 207268604 /nfs/dbraw/zinc/26/86/04/207268604.db2.gz UHXCYVJMQQWIHV-PKOBYXMFSA-N 2 0 310.445 2.788 20 0 DFADRP [NH3+]CC1CCC([NH2+]C[C@H](c2ccccc2)N2CCCC2)CC1 ZINC000422736378 296323840 /nfs/dbraw/zinc/32/38/40/296323840.db2.gz XXEAZTBNTOYZTE-NKELODKYSA-N 2 0 301.478 2.931 20 0 DFADRP CN(C)C(=O)[C@@H]1CCC[C@H]([NH2+][C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)C1 ZINC000422737449 296323986 /nfs/dbraw/zinc/32/39/86/296323986.db2.gz IGMJSXCYDMCAMP-DISONHOPSA-N 2 0 321.509 2.534 20 0 DFADRP CC(C)[N@@H+]1CCC[C@@H](CN[C@H](Cc2ccccc2)[C@H](C)[NH3+])C1 ZINC000422737172 296324035 /nfs/dbraw/zinc/32/40/35/296324035.db2.gz HTHPVWXBKKSOJW-YTQUADARSA-N 2 0 303.494 2.655 20 0 DFADRP C[C@H](N[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1)[C@H]1CCCC[NH2+]1 ZINC000422740770 296324494 /nfs/dbraw/zinc/32/44/94/296324494.db2.gz NEAVPSSHOBPAGI-PBWTXFEYSA-N 2 0 301.478 2.942 20 0 DFADRP C[C@@H]1CC[NH2+]CC[C@@H]1NC[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000422737261 296324166 /nfs/dbraw/zinc/32/41/66/296324166.db2.gz ZKLJERWRYCLRSO-NEWSRXKRSA-N 2 0 301.478 2.801 20 0 DFADRP C[C@H]1CCC[N@H+](Cc2ccc(NC(=O)[C@]3(C)CC[NH2+]C3)cc2)C1 ZINC000269226870 207347534 /nfs/dbraw/zinc/34/75/34/207347534.db2.gz FGKBMJVVZRGPLT-HNAYVOBHSA-N 2 0 315.461 2.857 20 0 DFADRP C[C@H]([NH3+])[C@H]1COCC[C@H]1[NH2+]CCc1ccccc1C(F)(F)F ZINC000422743579 296324827 /nfs/dbraw/zinc/32/48/27/296324827.db2.gz UHEOUOOEGBUNQF-NJZAAPMLSA-N 2 0 316.367 2.590 20 0 DFADRP CC[C@H]([NH2+][C@@H]1CCC[C@H](C(=O)NC(C)C)C1)[C@@H]1CCCC[NH2+]1 ZINC000422748546 296325717 /nfs/dbraw/zinc/32/57/17/296325717.db2.gz UZSXZBMXHNAOCJ-YVSFHVDLSA-N 2 0 309.498 2.580 20 0 DFADRP Cc1nc2ccccc2n1CCC[NH2+][C@@H]1CC[NH2+]CC[C@@H]1C ZINC000422752425 296326791 /nfs/dbraw/zinc/32/67/91/296326791.db2.gz GYYGTMGGXZQFOD-GOEBONIOSA-N 2 0 300.450 2.713 20 0 DFADRP C[C@H]([NH2+]CCCc1ccc(Br)cc1F)C1C[NH2+]C1 ZINC000422753989 296326798 /nfs/dbraw/zinc/32/67/98/296326798.db2.gz FPNOPCNHHYIIDF-JTQLQIEISA-N 2 0 315.230 2.718 20 0 DFADRP CSCCCC[NH2+][C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422750540 296326098 /nfs/dbraw/zinc/32/60/98/296326098.db2.gz DGACYOMBDXYFEI-RDJZCZTQSA-N 2 0 306.475 2.975 20 0 DFADRP Cc1nc2ccccc2n1CCC[NH2+][C@@H]1CCCCC[C@H]1[NH3+] ZINC000422749678 296326103 /nfs/dbraw/zinc/32/61/03/296326103.db2.gz ALQZQIBYKBLLAZ-HZPDHXFCSA-N 2 0 300.450 2.984 20 0 DFADRP c1ccc(SCCC[NH2+][C@@H]2CCOC[C@@H]2[C@H]2CCC[NH2+]2)cc1 ZINC000422750394 296326189 /nfs/dbraw/zinc/32/61/89/296326189.db2.gz DATQBZOXVYZIES-KZNAEPCWSA-N 2 0 320.502 2.916 20 0 DFADRP COc1cccc(N2CCC[C@H]([NH2+][C@@H](C)CCCC[NH3+])C2)c1 ZINC000422751586 296326441 /nfs/dbraw/zinc/32/64/41/296326441.db2.gz BOWOLZKALGLTPO-HOTGVXAUSA-N 2 0 305.466 2.771 20 0 DFADRP C[C@H]([NH3+])[C@@H]1COCC[C@H]1[NH2+]Cc1cccc(C(F)(F)F)c1 ZINC000422751767 296326442 /nfs/dbraw/zinc/32/64/42/296326442.db2.gz CWRLEDOUXGMOSO-LEWSCRJBSA-N 2 0 302.340 2.547 20 0 DFADRP COc1ccc([C@@H](C[NH2+][C@@H](C)CCC[NH3+])N2CCCCC2)cc1 ZINC000422755947 296327375 /nfs/dbraw/zinc/32/73/75/296327375.db2.gz IHKOHCXSBVKJIB-QFBILLFUSA-N 2 0 319.493 2.939 20 0 DFADRP C[C@H]([NH3+])[C@@H](Cc1ccccc1)NC[C@H](c1ccccc1)[NH+](C)C ZINC000422753598 296326871 /nfs/dbraw/zinc/32/68/71/296326871.db2.gz IRSUIOXNDIKSJZ-PWIZWCRZSA-N 2 0 311.473 2.837 20 0 DFADRP COc1cccc([C@@H](C[NH2+]C2CCC([NH3+])CC2)N2CCCC2)c1 ZINC000422752372 296326901 /nfs/dbraw/zinc/32/69/01/296326901.db2.gz DYNUXSOWFJDXJG-FAFZWHIHSA-N 2 0 317.477 2.692 20 0 DFADRP C[C@H]([NH3+])[C@H]1COCC[C@H]1[NH2+]CCCSc1ccc(F)cc1 ZINC000422759729 296328211 /nfs/dbraw/zinc/32/82/11/296328211.db2.gz LGJWPLYDWFEUQJ-APHBMKBZSA-N 2 0 312.454 2.650 20 0 DFADRP Cc1ccc(SCC[NH2+][C@@H]2CCOC[C@H]2[C@H]2CCC[NH2+]2)cc1 ZINC000422757429 296327591 /nfs/dbraw/zinc/32/75/91/296327591.db2.gz CXPMJBCNPHFYOP-RCCFBDPRSA-N 2 0 320.502 2.834 20 0 DFADRP Fc1cccc(C2(C[NH2+][C@@H]3CCOC[C@H]3[C@H]3CCC[NH2+]3)CC2)c1 ZINC000422756362 296327826 /nfs/dbraw/zinc/32/78/26/296327826.db2.gz CFMVPGHHNNOVSY-RCCFBDPRSA-N 2 0 318.436 2.604 20 0 DFADRP CC(C)(C[NH2+][C@@H]1CCOC[C@@H]1[C@@H]1CCC[NH2+]1)c1cccc(F)c1 ZINC000422756674 296327839 /nfs/dbraw/zinc/32/78/39/296327839.db2.gz HVQAUGSHTDECFX-FGTMMUONSA-N 2 0 320.452 2.850 20 0 DFADRP COc1ccc([C@H](C[NH2+][C@H](C)C[C@@H](C)[NH3+])N2CCCC2)cc1 ZINC000422764196 296329155 /nfs/dbraw/zinc/32/91/55/296329155.db2.gz UWFDYSJMYDWVRX-RKVPGOIHSA-N 2 0 305.466 2.548 20 0 DFADRP C[C@@H]([NH3+])[C@H](Cc1ccccc1)NCC1([NH+](C)C)CCCCC1 ZINC000422767150 296329739 /nfs/dbraw/zinc/32/97/39/296329739.db2.gz YERGWPKUCSBTKQ-AEFFLSMTSA-N 2 0 303.494 2.799 20 0 DFADRP COc1ccc([C@H](C)CC[NH2+][C@@H]2CCOC[C@H]2[C@H](C)[NH3+])cc1 ZINC000422776075 296330992 /nfs/dbraw/zinc/33/09/92/296330992.db2.gz CCANNDZMOVBZGV-IDCJVQTKSA-N 2 0 306.450 2.531 20 0 DFADRP Clc1ccccc1CC[NH2+][C@@H]1CCOC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000422775678 296331135 /nfs/dbraw/zinc/33/11/35/296331135.db2.gz BCWCBAUWOMVAAT-DJIMGWMZSA-N 2 0 308.853 2.629 20 0 DFADRP CC(C)CCOCC[NH2+][C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422779816 296331445 /nfs/dbraw/zinc/33/14/45/296331445.db2.gz JFNIBRONXHBEEH-IEBWSBKVSA-N 2 0 318.461 2.895 20 0 DFADRP CC[C@@H]([NH2+]C[C@H](C)N1CC[NH+](C)CC1)c1cc(C)ccc1C ZINC000623888476 399487615 /nfs/dbraw/zinc/48/76/15/399487615.db2.gz IFTZMCQPJNNGRE-PKOBYXMFSA-N 2 0 303.494 2.980 20 0 DFADRP CC[C@@H](CCc1ccccc1)[NH2+][C@@H](C)CN1CC[NH+](C)CC1 ZINC000623889870 399488640 /nfs/dbraw/zinc/48/86/40/399488640.db2.gz YKCLQMXJTMVOIC-HKUYNNGSSA-N 2 0 303.494 2.623 20 0 DFADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]Cc1ccc(C[NH+]2CCCC2)cc1 ZINC000422786481 296332605 /nfs/dbraw/zinc/33/26/05/296332605.db2.gz OYIYAAOZUACABV-APWZRJJASA-N 3 0 301.478 2.760 20 0 DFADRP C[C@H](C[NH2+][C@@H]1CCOC[C@@H]1[C@@H]1CCC[NH2+]1)Sc1ccccc1 ZINC000422788357 296332894 /nfs/dbraw/zinc/33/28/94/296332894.db2.gz NDAIOHMWACXYBN-NRSFXHEJSA-N 2 0 320.502 2.914 20 0 DFADRP C[C@H]([NH2+]CC1(c2ccccc2Br)CC1)C1C[NH2+]C1 ZINC000422788695 296332989 /nfs/dbraw/zinc/33/29/89/296332989.db2.gz SSNUPEULFFNXHV-NSHDSACASA-N 2 0 309.251 2.678 20 0 DFADRP COc1ccc(CC[NH2+][C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)c(OC)c1 ZINC000422787700 296333003 /nfs/dbraw/zinc/33/30/03/296333003.db2.gz UXUBORPLOIKAQM-KZNAEPCWSA-N 2 0 318.461 2.757 20 0 DFADRP C[C@H](C[NH2+][C@@H]1CCOC[C@@H]1[C@H]1CCC[NH2+]1)Sc1ccccc1 ZINC000422788358 296333051 /nfs/dbraw/zinc/33/30/51/296333051.db2.gz NDAIOHMWACXYBN-VDHUWJSZSA-N 2 0 320.502 2.914 20 0 DFADRP Cc1nn(Cc2ccccc2)c(C)c1C[NH2+][C@@H](C)[C@@H]1CC[NH2+]C1 ZINC000422793440 296333597 /nfs/dbraw/zinc/33/35/97/296333597.db2.gz SDPKLHYSEPANJR-KBXCAEBGSA-N 2 0 312.461 2.636 20 0 DFADRP C[C@H]([NH3+])[C@@H](Cc1ccccc1)N[C@H]1CC[N@H+](CC2CCCC2)C1 ZINC000422796155 296334461 /nfs/dbraw/zinc/33/44/61/296334461.db2.gz IXGZIYLOQREHOL-FFZOFVMBSA-N 2 0 315.505 2.799 20 0 DFADRP CO[C@@H]1CCCC[C@@H]1[NH2+][C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422795432 296334516 /nfs/dbraw/zinc/33/45/16/296334516.db2.gz VOILQYITEMMRJQ-DKKFBQAASA-N 2 0 316.445 2.790 20 0 DFADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]C[C@H](C)N1CCC(C)CC1 ZINC000422794680 296334225 /nfs/dbraw/zinc/33/42/25/296334225.db2.gz ZDUWXHUURMDRJD-GJZGRUSLSA-N 2 0 304.482 2.620 20 0 DFADRP C[C@H]([NH3+])[C@@H]1COCC[C@H]1[NH2+]CC1CCC(C(F)(F)F)CC1 ZINC000422802448 296335509 /nfs/dbraw/zinc/33/55/09/296335509.db2.gz BMMASVNHRUGLEM-FDZXDKCCSA-N 2 0 308.388 2.697 20 0 DFADRP CC[C@@H](CN[C@@H](C)[C@H]1CCC[NH2+]1)[N@@H+]1CCc2ccccc2C1 ZINC000422801471 296335585 /nfs/dbraw/zinc/33/55/85/296335585.db2.gz BZKJSABIYSSHRS-ZYSHUDEJSA-N 2 0 301.478 2.553 20 0 DFADRP COc1ccc(O[C@H](C)C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)cc1 ZINC000422796880 296334882 /nfs/dbraw/zinc/33/48/82/296334882.db2.gz ZIJRRAMNBQAOLT-GRGSLBFTSA-N 2 0 318.461 2.973 20 0 DFADRP CC[NH+](CC)[C@H](CN[C@@H]1CCC[C@@H]1C[NH3+])c1cccc(OC)c1 ZINC000422797256 296334919 /nfs/dbraw/zinc/33/49/19/296334919.db2.gz LSAJRYRQZCPWON-BHIYHBOVSA-N 2 0 319.493 2.795 20 0 DFADRP Cc1nc(N2CCOCC2)ccc1N[C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623955387 399502748 /nfs/dbraw/zinc/50/27/48/399502748.db2.gz YMMASHSFPPLYTE-OAHLLOKOSA-N 2 0 318.465 2.511 20 0 DFADRP Cc1nc(N2CCOCC2)ccc1N[C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623955386 399502780 /nfs/dbraw/zinc/50/27/80/399502780.db2.gz YMMASHSFPPLYTE-HNNXBMFYSA-N 2 0 318.465 2.511 20 0 DFADRP C[C@H]1CC[NH2+]CC[C@@H]1[NH2+]CCc1nc(C(F)(F)F)cs1 ZINC000422801669 296335418 /nfs/dbraw/zinc/33/54/18/296335418.db2.gz CJIDZCOZWORQDC-UWVGGRQHSA-N 2 0 307.385 2.682 20 0 DFADRP c1ccc2c(c1)CCC[C@@H]2C[NH2+][C@@H]1CCOC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000422805327 296336232 /nfs/dbraw/zinc/33/62/32/296336232.db2.gz LXFWBFZBUQAWRI-VBSBHUPXSA-N 2 0 314.473 2.853 20 0 DFADRP CC[C@@H]1Oc2cc([C@H](C)[NH2+][C@@H](C)C[C@H](C)[NH3+])ccc2NC1=O ZINC000422809905 296336969 /nfs/dbraw/zinc/33/69/69/296336969.db2.gz MOZKBMOMFHAXNO-ASHKBJFXSA-N 2 0 305.422 2.573 20 0 DFADRP CC1CC[NH+](Cc2ccc(CN[C@H]3CCC[C@@H]3[NH3+])cc2)CC1 ZINC000422810944 296337326 /nfs/dbraw/zinc/33/73/26/296337326.db2.gz VAAXREKSGHJIHR-OALUTQOASA-N 2 0 301.478 2.888 20 0 DFADRP CC(=O)Nc1ccc(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)cc1 ZINC000422807409 296336665 /nfs/dbraw/zinc/33/66/65/296336665.db2.gz OUPNCZDAMVFCSU-FGTMMUONSA-N 2 0 301.434 2.655 20 0 DFADRP CC[C@H](NCC[N@@H+]1CCc2ccccc2C1)[C@@H]1CCCC[NH2+]1 ZINC000422812648 296337503 /nfs/dbraw/zinc/33/75/03/296337503.db2.gz YCLYXYHYFHNDPD-OALUTQOASA-N 2 0 301.478 2.555 20 0 DFADRP c1nn(-c2ccccc2)cc1C[NH2+][C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000422818114 296338829 /nfs/dbraw/zinc/33/88/29/296338829.db2.gz FQWATCUDFSFFKW-IPMKNSEASA-N 2 0 310.445 2.883 20 0 DFADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+][C@H](C)c1ccc2c(c1)OCO2 ZINC000422815327 296338350 /nfs/dbraw/zinc/33/83/50/296338350.db2.gz XKHWFGFUYTWQID-NEPJUHHUSA-N 2 0 313.401 2.989 20 0 DFADRP CC[C@@H]1Oc2cc([C@H](C)[NH2+][C@H](C)CCCC[NH3+])ccc2NC1=O ZINC000422816115 296338436 /nfs/dbraw/zinc/33/84/36/296338436.db2.gz ZCBJBSCIZGJXFI-WWGRRREGSA-N 2 0 319.449 2.964 20 0 DFADRP c1cc(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)cc(N2CCCC2)n1 ZINC000422817973 296338608 /nfs/dbraw/zinc/33/86/08/296338608.db2.gz IZADMUWGPPCVBN-FGTMMUONSA-N 2 0 314.477 2.692 20 0 DFADRP C[C@@H]([NH2+]CCC1CCN(CC(F)(F)F)CC1)[C@H]1CCCC[NH2+]1 ZINC000422817738 296338684 /nfs/dbraw/zinc/33/86/84/296338684.db2.gz IDSXOGLIBYEXIP-UKRRQHHQSA-N 2 0 321.431 2.771 20 0 DFADRP C[C@@H](CCCC[NH3+])[NH2+]Cc1cccnc1OCC(F)(F)F ZINC000422822507 296339453 /nfs/dbraw/zinc/33/94/53/296339453.db2.gz BAYJQJFCELEDHD-NSHDSACASA-N 2 0 305.344 2.630 20 0 DFADRP [NH3+]C[C@H]1CCCC[C@@H]1[NH2+]CCC1CCN(CC(F)(F)F)CC1 ZINC000422821257 296339474 /nfs/dbraw/zinc/33/94/74/296339474.db2.gz VGHPSBRVKVIVOA-CABCVRRESA-N 2 0 321.431 2.758 20 0 DFADRP C[C@H](CCCC[NH3+])[NH2+]CC(C)(C)c1ccc2c(c1)OCCO2 ZINC000422823778 296339817 /nfs/dbraw/zinc/33/98/17/296339817.db2.gz MEJBDIGGGRYDRC-CQSZACIVSA-N 2 0 306.450 2.843 20 0 DFADRP Cc1ccc([C@H](CN[C@@H](C)[C@@H]2CC[NH2+]C2)[NH+]2CCCC2)cc1 ZINC000422826672 296340025 /nfs/dbraw/zinc/34/00/25/296340025.db2.gz LRUZYFCXLFENGC-UHOSZYNNSA-N 2 0 301.478 2.720 20 0 DFADRP COC(=O)c1csc(C[N@@H+]2CC[C@H](C3CC[NH+](C)CC3)C2)c1 ZINC000602661060 399507277 /nfs/dbraw/zinc/50/72/77/399507277.db2.gz CBSRQQCBVIEUFQ-AWEZNQCLSA-N 2 0 322.474 2.698 20 0 DFADRP Cc1ccc([C@@H](CN[C@H](C)[C@H]2CCC[NH2+]2)[NH+]2CCCC2)cc1 ZINC000422826723 296340415 /nfs/dbraw/zinc/34/04/15/296340415.db2.gz LYLIHVUDRVMDNV-BHIYHBOVSA-N 2 0 301.478 2.862 20 0 DFADRP c1nc2ccccc2n1Cc1ccc(C[NH2+]C2CC[NH2+]CC2)cc1 ZINC000422834861 296341774 /nfs/dbraw/zinc/34/17/74/296341774.db2.gz XPYDWAULFAKTKZ-UHFFFAOYSA-N 2 0 320.440 2.926 20 0 DFADRP C[C@H](C[NH2+][C@@H](C)CCC[NH3+])Oc1ccccc1Br ZINC000422835057 296341813 /nfs/dbraw/zinc/34/18/13/296341813.db2.gz IDJIRCKHBWNXIA-NWDGAFQWSA-N 2 0 315.255 2.933 20 0 DFADRP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1[NH2+]CCc1ccc(C(C)(C)C)cc1 ZINC000422844074 296343304 /nfs/dbraw/zinc/34/33/04/296343304.db2.gz KSRGYZURQOOHPE-WBAXXEDZSA-N 2 0 304.478 2.869 20 0 DFADRP [NH3+][C@H]1CCCCC[C@@H]1[NH2+]CC1(N2CCSCC2)CCCC1 ZINC000422844086 296343392 /nfs/dbraw/zinc/34/33/92/296343392.db2.gz KTUPTJDIHXDOAR-HOTGVXAUSA-N 2 0 311.539 2.598 20 0 DFADRP CC[C@H]([NH2+]CC1(c2ccccc2)CCOCC1)[C@@H]1CCC[NH2+]1 ZINC000422849975 296344598 /nfs/dbraw/zinc/34/45/98/296344598.db2.gz VLFZVNWYJQKNQF-ROUUACIJSA-N 2 0 302.462 2.855 20 0 DFADRP C[C@@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]CCC(=O)NCc1ccccc1 ZINC000422848473 296344139 /nfs/dbraw/zinc/34/41/39/296344139.db2.gz TYALUZWGDDTHGU-WMZOPIPTSA-N 2 0 317.477 2.593 20 0 DFADRP Cc1ccc(C[NH2+][C@H](C)C[C@@H](C)[NH3+])c(OC[C@H]2CCOC2)c1 ZINC000422849200 296344148 /nfs/dbraw/zinc/34/41/48/296344148.db2.gz BNTUJVVDSHSBNT-OAGGEKHMSA-N 2 0 306.450 2.626 20 0 DFADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]Cc1ccnc(OCC(F)(F)F)c1 ZINC000422855823 296345583 /nfs/dbraw/zinc/34/55/83/296345583.db2.gz FHDKKYVGMUVLAO-DGCLKSJQSA-N 2 0 317.355 2.500 20 0 DFADRP C[C@H]1CC[NH2+]CC[C@H]1[NH2+]Cc1ccnc(OCC(F)(F)F)c1 ZINC000422855824 296345699 /nfs/dbraw/zinc/34/56/99/296345699.db2.gz FHDKKYVGMUVLAO-WCQYABFASA-N 2 0 317.355 2.500 20 0 DFADRP C[C@H]([NH3+])[C@@H]1COCC[C@H]1[NH2+]Cc1ccc(F)cc1C(F)(F)F ZINC000422852795 296344928 /nfs/dbraw/zinc/34/49/28/296344928.db2.gz BIIVWVOSCQUFRA-DUFXMDAXSA-N 2 0 320.330 2.686 20 0 DFADRP C[C@@H](CCCC[NH3+])[NH2+]Cc1ccnc(OCC(F)(F)F)c1 ZINC000422860601 296346436 /nfs/dbraw/zinc/34/64/36/296346436.db2.gz LSUUAMQOBJLIKD-NSHDSACASA-N 2 0 305.344 2.630 20 0 DFADRP [NH3+][C@@H]1CCCCC[C@H]1[NH2+][C@@H]1CCN(c2c(F)cccc2F)C1 ZINC000422861358 296346531 /nfs/dbraw/zinc/34/65/31/296346531.db2.gz JFFUHXQVDPGDRB-DAXOMENPSA-N 2 0 309.404 2.793 20 0 DFADRP COCCOc1cc(C)ccc1C[NH2+][C@@H]1CCCC[C@H]1C[NH3+] ZINC000422861030 296346557 /nfs/dbraw/zinc/34/65/57/296346557.db2.gz ITRNDVJQRSBLIV-DOTOQJQBSA-N 2 0 306.450 2.627 20 0 DFADRP CCOCCOCc1cccc(C[NH2+][C@H]2CC[NH2+]CC[C@@H]2C)c1 ZINC000422858529 296346019 /nfs/dbraw/zinc/34/60/19/296346019.db2.gz IWUCVOGPFMXSJA-LPHOPBHVSA-N 2 0 320.477 2.717 20 0 DFADRP CCOCCOCc1cccc(C[NH2+][C@H]2CCCC[C@@H]2C[NH3+])c1 ZINC000422860252 296346128 /nfs/dbraw/zinc/34/61/28/296346128.db2.gz LFABNLUXQLCLBN-MOPGFXCFSA-N 2 0 320.477 2.847 20 0 DFADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]C[C@H](C)N1CCC[C@@H](C)C1 ZINC000422860811 296346347 /nfs/dbraw/zinc/34/63/47/296346347.db2.gz LUVXPWIJOLFNTQ-ILXRZTDVSA-N 2 0 304.482 2.620 20 0 DFADRP Cc1ccc(C[NH2+][C@@H](C)CCCC[NH3+])c(O[C@@H]2CCOC2)c1 ZINC000422872136 296347967 /nfs/dbraw/zinc/34/79/67/296347967.db2.gz FWGMCQRROHEDCN-DOTOQJQBSA-N 2 0 306.450 2.770 20 0 DFADRP COC[C@@H](CCC[NH3+])[NH2+]Cc1ccc(F)cc1C(F)(F)F ZINC000422866267 296347130 /nfs/dbraw/zinc/34/71/30/296347130.db2.gz PZJRHEVIMDKUJM-GFCCVEGCSA-N 2 0 308.319 2.688 20 0 DFADRP COCCCOc1cc(C)ccc1C[NH2+][C@H]1CCC[C@H]1C[NH3+] ZINC000422869063 296347360 /nfs/dbraw/zinc/34/73/60/296347360.db2.gz WAGMDUNNIADWLJ-RDJZCZTQSA-N 2 0 306.450 2.627 20 0 DFADRP COc1ccc(OC(F)F)c(C[NH2+][C@@H]2CCCC[C@H]2C[NH3+])c1 ZINC000422879110 296349315 /nfs/dbraw/zinc/34/93/15/296349315.db2.gz UMISKNZFOIDOBF-SMDDNHRTSA-N 2 0 314.376 2.904 20 0 DFADRP C[C@H](N[C@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1)[C@H]1CCCC[NH2+]1 ZINC000422873759 296348465 /nfs/dbraw/zinc/34/84/65/296348465.db2.gz MBFOMZVZAUHZIA-PBWTXFEYSA-N 2 0 301.478 2.770 20 0 DFADRP C[C@H]([NH2+]CC1CC[NH+](Cc2ccccc2Cl)CC1)C1C[NH2+]C1 ZINC000422875186 296348696 /nfs/dbraw/zinc/34/86/96/296348696.db2.gz CEAPRGAJPVGIHT-AWEZNQCLSA-N 3 0 321.896 2.750 20 0 DFADRP Cc1ccc(Cl)cc1N1CC[C@H](C[NH2+][C@H]2CCC[C@H]2[NH3+])C1 ZINC000422876459 296348890 /nfs/dbraw/zinc/34/88/90/296348890.db2.gz FXSSEABKRDRXMI-BMFZPTHFSA-N 2 0 307.869 2.944 20 0 DFADRP C[C@@H]1C[NH+](CC2CC[NH+](CC[C@H]3CCCCO3)CC2)C[C@@H](C)O1 ZINC000347392389 285028556 /nfs/dbraw/zinc/02/85/56/285028556.db2.gz LCDJNMKAGBCWCY-ZHALLVOQSA-N 2 0 324.509 2.767 20 0 DFADRP Cc1ccc([C@H](C[NH2+][C@H]2CC[NH2+]CC[C@@H]2C)N2CCCC2)o1 ZINC000422881158 296349932 /nfs/dbraw/zinc/34/99/32/296349932.db2.gz PQAPLZVNNJJCHR-XIRDDKMYSA-N 2 0 305.466 2.703 20 0 DFADRP COC[C@@H](CCC[NH3+])[NH2+]CCc1coc(-c2ccc(C)cc2)n1 ZINC000422884100 296350270 /nfs/dbraw/zinc/35/02/70/296350270.db2.gz WEXBBKOTMAUWNI-MRXNPFEDSA-N 2 0 317.433 2.536 20 0 DFADRP CCCC(=O)Nc1ccc(C[NH2+][C@@H]2CC[NH2+]CC[C@@H]2C)cc1 ZINC000422879468 296349421 /nfs/dbraw/zinc/34/94/21/296349421.db2.gz KOITUKGYGKUOCI-WMLDXEAASA-N 2 0 303.450 2.903 20 0 DFADRP C[C@H]([NH2+]Cc1cccc(OCC(F)(F)F)c1)[C@@H]1CC[NH2+]C1 ZINC000422881453 296349697 /nfs/dbraw/zinc/34/96/97/296349697.db2.gz NQDGCEWFQKECGI-WCQYABFASA-N 2 0 302.340 2.715 20 0 DFADRP c1ccc2c(c1)O[C@]1(CC[NH2+]C1)C[C@H]2[NH2+]C[C@@H]1CCCS1 ZINC000422881801 296349865 /nfs/dbraw/zinc/34/98/65/296349865.db2.gz ZBRFKPZPECTCML-YSVLISHTSA-N 2 0 304.459 2.728 20 0 DFADRP Cc1nc(C[NH3+])ccc1[C@H](C)NCC[NH+]1[C@H](C)CCC[C@H]1C ZINC000422891959 296351503 /nfs/dbraw/zinc/35/15/03/296351503.db2.gz WZTHCQNMJNJXHI-KFWWJZLASA-N 2 0 304.482 2.762 20 0 DFADRP CC[C@@H]([NH2+]CCCOc1ccc(OC)cc1)[C@H]1CCCC[NH2+]1 ZINC000422894249 296351808 /nfs/dbraw/zinc/35/18/08/296351808.db2.gz BVEHGKORNDGISQ-QZTJIDSGSA-N 2 0 306.450 2.974 20 0 DFADRP CC[NH+](CC)CCOc1ccc(C[NH2+][C@@H]2CCC[NH2+]CC2)cc1 ZINC000422893268 296351860 /nfs/dbraw/zinc/35/18/60/296351860.db2.gz PTMJJGBQFREQGN-GOSISDBHSA-N 3 0 319.493 2.639 20 0 DFADRP C[C@H]1CC[NH2+]CC[C@H]1[NH2+]Cc1ccc(N2CCCCCC2)nc1 ZINC000422894797 296351956 /nfs/dbraw/zinc/35/19/56/296351956.db2.gz ULYSWOJDKFXUOA-FUHWJXTLSA-N 2 0 316.493 2.940 20 0 DFADRP CC[C@H](NCc1ccc(OCC[NH+](C)C)cc1)[C@@H]1CCCC[NH2+]1 ZINC000422896408 296352157 /nfs/dbraw/zinc/35/21/57/296352157.db2.gz IDZTUHWSRTVDLO-OALUTQOASA-N 2 0 319.493 2.637 20 0 DFADRP CC[NH+](CC)CCOc1ccc(C[NH2+][C@H]2CCC[C@@H]2C[NH3+])cc1 ZINC000422895639 296352237 /nfs/dbraw/zinc/35/22/37/296352237.db2.gz WLPBVQZQQAUUFV-MJGOQNOKSA-N 3 0 319.493 2.624 20 0 DFADRP CC[C@H](C(=O)N(C)CC[C@@H]([NH3+])C(C)C)[N@H+](C)Cc1ccccc1 ZINC000422896443 296352277 /nfs/dbraw/zinc/35/22/77/296352277.db2.gz IHHCMPWKGNDBHF-QZTJIDSGSA-N 2 0 319.493 2.729 20 0 DFADRP C[C@H](CCCC[NH3+])[NH2+]Cc1ccc(N2CCC(C)CC2)nc1 ZINC000422895259 296352280 /nfs/dbraw/zinc/35/22/80/296352280.db2.gz VSIVCRBYZDGABP-MRXNPFEDSA-N 2 0 304.482 2.925 20 0 DFADRP C[C@@H]([NH2+][C@@H](C)C1C[NH2+]C1)c1ccc(OCC(F)(F)F)cc1 ZINC000422897276 296352373 /nfs/dbraw/zinc/35/23/73/296352373.db2.gz BVFWULMZVFXFNS-MNOVXSKESA-N 2 0 302.340 2.886 20 0 DFADRP [NH3+]CC1CCC([NH2+]C[C@H]2CCN(c3ccc(F)cc3)C2)CC1 ZINC000422897454 296352483 /nfs/dbraw/zinc/35/24/83/296352483.db2.gz JSUNTCNDUDJLGQ-ISXOHVOVSA-N 2 0 305.441 2.759 20 0 DFADRP CC[C@H]([NH2+]C1CCC(C[NH3+])CC1)c1nnc2n1CCCCC2 ZINC000422907242 296354451 /nfs/dbraw/zinc/35/44/51/296354451.db2.gz LFBUAYDEEHHQLC-NRXISQOPSA-N 2 0 305.470 2.563 20 0 DFADRP Fc1cccc(CCC[NH2+][C@@H]2CCOC[C@@H]2[C@H]2CCC[NH2+]2)c1 ZINC000422910457 296354579 /nfs/dbraw/zinc/35/45/79/296354579.db2.gz QNQLUQJTYPTWGA-KZNAEPCWSA-N 2 0 306.425 2.505 20 0 DFADRP COc1ccc(Cl)cc1N1CC[C@H]([NH2+][C@@H]2CCC[C@H]2C[NH3+])C1 ZINC000422909703 296354599 /nfs/dbraw/zinc/35/45/99/296354599.db2.gz OUIYMDYOHIZJQA-AEGPPILISA-N 2 0 323.868 2.644 20 0 DFADRP CCC[C@@H]([NH2+][C@H](C)CCC[NH3+])C(=O)N1CCc2sccc2C1 ZINC000422908164 296354608 /nfs/dbraw/zinc/35/46/08/296354608.db2.gz LZFVAHAERMKMIK-UKRRQHHQSA-N 2 0 323.506 2.519 20 0 DFADRP COc1ccc(Cl)cc1N1CC[C@H]([NH2+]C2CCC([NH3+])CC2)C1 ZINC000422909349 296354715 /nfs/dbraw/zinc/35/47/15/296354715.db2.gz NVDGFXBJRKSPBO-NRXISQOPSA-N 2 0 323.868 2.787 20 0 DFADRP C(NC1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@@H]1CCC[N@@H+]1CC1CCCCC1 ZINC000422909709 296354721 /nfs/dbraw/zinc/35/47/21/296354721.db2.gz OVFAXEUEYOGZOK-SWDXFRIISA-N 2 0 305.510 2.904 20 0 DFADRP COCCOc1cccc(C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)c1 ZINC000422904693 296353592 /nfs/dbraw/zinc/35/35/92/296353592.db2.gz XVTYMPLMPKRFPR-IPMKNSEASA-N 2 0 318.461 2.722 20 0 DFADRP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1[NH2+]CC1(Cc2ccccc2)CCC1 ZINC000422926755 296356095 /nfs/dbraw/zinc/35/60/95/296356095.db2.gz DVGSTILNHRGYAK-SZMVWBNQSA-N 2 0 302.462 2.741 20 0 DFADRP C[C@H]1C[C@@H](N(C)c2nc3ccccc3n3cncc23)CC[N@@H+]1C ZINC000623992005 399516444 /nfs/dbraw/zinc/51/64/44/399516444.db2.gz ZCGHJNQHJDBLPB-KBPBESRZSA-N 2 0 309.417 2.801 20 0 DFADRP C[C@H](C[C@H](C)[NH3+])[NH2+][C@@H]1CCCN(Cc2c(F)cccc2F)C1 ZINC000422910853 296355012 /nfs/dbraw/zinc/35/50/12/296355012.db2.gz RPWXUGRYWZDVND-BFHYXJOUSA-N 2 0 311.420 2.645 20 0 DFADRP C[NH+](C)CCN1CCC([NH2+][C@@H]2CCc3c2c(F)ccc3F)CC1 ZINC000269850780 207908868 /nfs/dbraw/zinc/90/88/68/207908868.db2.gz FSRIFOUYLXQVFY-QGZVFWFLSA-N 2 0 323.431 2.568 20 0 DFADRP C[C@H]1CC[NH2+]CC[C@H]1[NH2+]CCc1nc2ccccc2n1C(F)F ZINC000422912605 296355069 /nfs/dbraw/zinc/35/50/69/296355069.db2.gz NNSXQYHMOQYGKV-QWHCGFSZSA-N 2 0 322.403 2.952 20 0 DFADRP CCCC1(C[NH2+][C@@H](C)C2(C(=O)OCC)CC[NH2+]CC2)CCC1 ZINC000422928079 296356568 /nfs/dbraw/zinc/35/65/68/296356568.db2.gz ISNXXQRXHTWROF-HNNXBMFYSA-N 2 0 310.482 2.868 20 0 DFADRP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]CCc1cc(Cl)c2c(c1)OCCO2 ZINC000422930127 296356888 /nfs/dbraw/zinc/35/68/88/296356888.db2.gz SGWVJIRYORXFPE-DZGCQCFKSA-N 2 0 324.852 2.761 20 0 DFADRP [NH3+]C[C@H]1CCC[C@@H]1[NH2+]CCOc1cccc(C(F)(F)F)c1 ZINC000422929937 296356970 /nfs/dbraw/zinc/35/69/70/296356970.db2.gz ALFGFFMZQKVFGF-RISCZKNCSA-N 2 0 302.340 2.801 20 0 DFADRP COc1ccc(C[NH2+][C@H](C)c2ccc(C[NH3+])nc2C)cc1F ZINC000422933431 296357173 /nfs/dbraw/zinc/35/71/73/296357173.db2.gz DKQZJHXSGULVEH-LLVKDONJSA-N 2 0 303.381 2.847 20 0 DFADRP COc1ccc(C[C@H](C)[NH2+]CC(C)(C)C[NH+](C)C)cc1OC ZINC000120120877 195100466 /nfs/dbraw/zinc/10/04/66/195100466.db2.gz VJTAWOARJPGPLK-AWEZNQCLSA-N 2 0 308.466 2.812 20 0 DFADRP CCCN(CC[NH+](C)C)C(=O)c1ccc(C[NH+](CC)CC)o1 ZINC000620535748 399518212 /nfs/dbraw/zinc/51/82/12/399518212.db2.gz ADGBIAGTXDLVTP-UHFFFAOYSA-N 2 0 309.454 2.535 20 0 DFADRP CC(C)c1noc(CCC[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)n1 ZINC000422938088 296357943 /nfs/dbraw/zinc/35/79/43/296357943.db2.gz PHSDJCODTIENNO-KFWWJZLASA-N 2 0 306.454 2.636 20 0 DFADRP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1[NH2+]CCOc1cccc2ccccc21 ZINC000422936603 296358086 /nfs/dbraw/zinc/35/80/86/296358086.db2.gz FJJJMIALOOKZKK-WBAXXEDZSA-N 2 0 314.429 2.561 20 0 DFADRP CCCCNC(=O)c1ccc(C[NH2+]C2CCC([NH3+])CC2)cc1 ZINC000422939254 296358428 /nfs/dbraw/zinc/35/84/28/296358428.db2.gz LPBAMHARUPTOKF-UHFFFAOYSA-N 2 0 303.450 2.576 20 0 DFADRP C[C@H](CCC[NH3+])[NH2+]C1CCN(c2nc3ccccc3s2)CC1 ZINC000422942946 296358530 /nfs/dbraw/zinc/35/85/30/296358530.db2.gz KZXVGGJDYHRALQ-CYBMUJFWSA-N 2 0 318.490 2.982 20 0 DFADRP CC(C)[C@H](CN[C@H](C)[C@@H]1CC[NH2+]C1)[N@@H+]1CCc2ccccc2C1 ZINC000422935690 296357476 /nfs/dbraw/zinc/35/74/76/296357476.db2.gz HKQKJQLOFFYEKG-POAQFYNOSA-N 2 0 315.505 2.657 20 0 DFADRP C[C@H]([NH2+]Cc1cccc(Cn2cnc3ccccc32)c1)C1C[NH2+]C1 ZINC000422935282 296357488 /nfs/dbraw/zinc/35/74/88/296357488.db2.gz HCHYECBYENUHRZ-HNNXBMFYSA-N 2 0 320.440 2.782 20 0 DFADRP [NH3+]C[C@H]1CCC[C@@H]1[NH2+]CCc1ccc(F)c(Br)c1 ZINC000422935056 296357580 /nfs/dbraw/zinc/35/75/80/296357580.db2.gz KJMXQVZWJUXIHO-RISCZKNCSA-N 2 0 315.230 2.848 20 0 DFADRP C[C@@H]([NH3+])C[C@@H](C)[NH2+]C1CCN(c2nc3ccccc3s2)CC1 ZINC000422934295 296357741 /nfs/dbraw/zinc/35/77/41/296357741.db2.gz CIRTVVRIVWKJDF-CHWSQXEVSA-N 2 0 318.490 2.981 20 0 DFADRP COc1cccc(SCC[N@@H+]2CCC[C@@H]3C[NH2+]CC[C@H]32)c1 ZINC000631889826 399520058 /nfs/dbraw/zinc/52/00/58/399520058.db2.gz KAYAAKMYWWMUTR-RHSMWYFYSA-N 2 0 306.475 2.861 20 0 DFADRP C[C@H]([NH3+])[C@H]1COCC[C@H]1[NH2+]Cc1ccc(OC2CCCC2)cc1 ZINC000422948504 296359577 /nfs/dbraw/zinc/35/95/77/296359577.db2.gz SBAYLJVGUTXGAO-GDIGMMSISA-N 2 0 318.461 2.850 20 0 DFADRP CCC(C)(C)[NH2+][C@@H](C)C(=O)N1CC[NH+](CCC(C)(C)C)CC1 ZINC000347510374 285064902 /nfs/dbraw/zinc/06/49/02/285064902.db2.gz BBUPESPEESCHGE-HNNXBMFYSA-N 2 0 311.514 2.734 20 0 DFADRP C[C@@H]([NH2+]CC1(c2ccc(Cl)cc2)CCOCC1)C1C[NH2+]C1 ZINC000422949390 296359730 /nfs/dbraw/zinc/35/97/30/296359730.db2.gz TYSCTIYCKWUSOH-CYBMUJFWSA-N 2 0 308.853 2.586 20 0 DFADRP C[C@H]([NH3+])C[C@H](C)[NH2+]CCOc1ccc(Br)cc1 ZINC000422948229 296359745 /nfs/dbraw/zinc/35/97/45/296359745.db2.gz RNNSVSKBMAPJOD-QWRGUYRKSA-N 2 0 301.228 2.543 20 0 DFADRP C[C@H](CCC[NH3+])[NH2+]CCCc1nc(-c2ccncc2)cs1 ZINC000422957479 296360780 /nfs/dbraw/zinc/36/07/80/296360780.db2.gz UIPUDXQMAIVEAW-CYBMUJFWSA-N 2 0 304.463 2.855 20 0 DFADRP CCc1noc(-c2ccc(CC[NH2+][C@@H]3CCC[C@@H]3C[NH3+])cc2)n1 ZINC000422957640 296360938 /nfs/dbraw/zinc/36/09/38/296360938.db2.gz NUEWRUZPQCCKGL-HZPDHXFCSA-N 2 0 314.433 2.559 20 0 DFADRP [NH3+][C@H]1CCCCC[C@@H]1[NH2+]Cc1cccc(CN2CCCC2=O)c1 ZINC000422953709 296360360 /nfs/dbraw/zinc/36/03/60/296360360.db2.gz GGMPMNSOEJDEPC-ROUUACIJSA-N 2 0 315.461 2.559 20 0 DFADRP C[C@H](C[C@H](C)[NH3+])[NH2+]Cc1ccc(COC2CCOCC2)cc1 ZINC000422960078 296361437 /nfs/dbraw/zinc/36/14/37/296361437.db2.gz AQCARWWQMARYFI-LSDHHAIUSA-N 2 0 306.450 2.598 20 0 DFADRP COc1ccc([C@@H](NCCC[N@H+](C)C(C)C)[C@H]2CCC[NH2+]2)cc1 ZINC000422968547 296362669 /nfs/dbraw/zinc/36/26/69/296362669.db2.gz WXNYVVQBOSNZKW-RTBURBONSA-N 2 0 319.493 2.808 20 0 DFADRP CC(C)(CO)[C@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccccc1 ZINC000422970737 296362897 /nfs/dbraw/zinc/36/28/97/296362897.db2.gz WUCKICKOBUMJPR-UJJTZGENSA-N 2 0 302.462 2.661 20 0 DFADRP COC[C@H](CCC[NH3+])[NH2+]Cc1ccnc(OC2CCCCC2)c1 ZINC000422970489 296362948 /nfs/dbraw/zinc/36/29/48/296362948.db2.gz GJAPFXKWZIFXRL-INIZCTEOSA-N 2 0 321.465 2.637 20 0 DFADRP C[C@H]([NH2+]Cc1ccnc(OCc2ccccc2)c1)[C@H]1CC[NH2+]C1 ZINC000422971417 296363068 /nfs/dbraw/zinc/36/30/68/296363068.db2.gz IRPVBOBARQAVNW-YJBOKZPZSA-N 2 0 311.429 2.748 20 0 DFADRP C[C@H](C[C@H](C)[NH3+])[NH2+]CCNc1cccc(Br)c1 ZINC000422966690 296362209 /nfs/dbraw/zinc/36/22/09/296362209.db2.gz RSLYDQMYHOBHAQ-WDEREUQCSA-N 2 0 300.244 2.576 20 0 DFADRP COCCC1(C[NH2+][C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)CC1 ZINC000422988193 296364250 /nfs/dbraw/zinc/36/42/50/296364250.db2.gz INNXTUMTAMITOG-APWZRJJASA-N 2 0 316.445 2.649 20 0 DFADRP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]CCC[C@H]1CCCC[C@H]1O ZINC000422987333 296364351 /nfs/dbraw/zinc/36/43/51/296364351.db2.gz FVOCLUOSLKLYFI-WZGPROSRSA-N 2 0 304.478 2.866 20 0 DFADRP C[C@H]([NH3+])C[C@H](C)[NH2+]C[C@@H](CO)Cc1ccc(C(F)(F)F)cc1 ZINC000422985745 296364367 /nfs/dbraw/zinc/36/43/67/296364367.db2.gz ADUAIWAYUWRQFR-OBJOEFQTSA-N 2 0 318.383 2.572 20 0 DFADRP Cc1cc(C[C@H](C)[NH2+][C@H](C)[C@@H]2CC[NH2+]C2)n(-c2ccccc2)n1 ZINC000422995580 296365120 /nfs/dbraw/zinc/36/51/20/296365120.db2.gz KKSCRQFUYFINFC-USXIJHARSA-N 2 0 312.461 2.699 20 0 DFADRP Cc1cc(C)c(CC[NH2+][C@@H]2CCOC[C@H]2[C@@H]2CCC[NH2+]2)c(C)c1 ZINC000422997143 296365145 /nfs/dbraw/zinc/36/51/45/296365145.db2.gz AOVIRLLQXWNPBE-SLFFLAALSA-N 2 0 316.489 2.901 20 0 DFADRP C([NH2+][C@H]1CCOC[C@@H]1[C@@H]1CCC[NH2+]1)C1C2CC3CC(C2)CC1C3 ZINC000422990210 296364614 /nfs/dbraw/zinc/36/46/14/296364614.db2.gz NGNBTGKXMFZPJC-ZLWKGOQTSA-N 2 0 318.505 2.805 20 0 DFADRP C[C@H](CCCC[NH3+])[NH2+][C@@H](CO)c1cccc(Br)c1 ZINC000422990693 296364716 /nfs/dbraw/zinc/36/47/16/296364716.db2.gz OJHYIQVJIMPFGS-RISCZKNCSA-N 2 0 315.255 2.590 20 0 DFADRP C[C@@H]([NH3+])[C@@H](Cc1ccccc1)NC1CC[NH+](C(C)(C)C)CC1 ZINC000422991950 296364818 /nfs/dbraw/zinc/36/48/18/296364818.db2.gz PEYYHXKPFVAQJM-CRAIPNDOSA-N 2 0 303.494 2.797 20 0 DFADRP Cc1cc(C[C@@H](C)[NH2+][C@@H](C)CCC[NH3+])n(-c2ccccc2)n1 ZINC000422994453 296365017 /nfs/dbraw/zinc/36/50/17/296365017.db2.gz HRKOFOPSJUCHPJ-LSDHHAIUSA-N 2 0 300.450 2.829 20 0 DFADRP C[C@@H]([NH2+][C@@H](C)C1C[NH2+]C1)[C@@H](OC1CCOCC1)c1ccccc1 ZINC000423002911 296365964 /nfs/dbraw/zinc/36/59/64/296365964.db2.gz ZVHAXDYAMPIDAM-QMTMVMCOSA-N 2 0 318.461 2.509 20 0 DFADRP COCCCOc1cccc(C[NH2+][C@H]2CCCC[C@H]2C[NH3+])c1 ZINC000423001033 296366024 /nfs/dbraw/zinc/36/60/24/296366024.db2.gz HJZDRPMDUTVRJR-WMZOPIPTSA-N 2 0 306.450 2.709 20 0 DFADRP CCC(CC)(CO)C[NH2+][C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423003219 296366223 /nfs/dbraw/zinc/36/62/23/296366223.db2.gz LBVFVSSZHHADPF-LPHOPBHVSA-N 2 0 318.461 2.631 20 0 DFADRP Cc1cn2c(n1)[C@H](C[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1)CCC2 ZINC000423005734 296366634 /nfs/dbraw/zinc/36/66/34/296366634.db2.gz NDCBBALCTHGEJZ-LUKYLMHMSA-N 2 0 302.466 2.579 20 0 DFADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+][C@@H]1CCCN(c2ccccc2F)C1 ZINC000423008591 296366904 /nfs/dbraw/zinc/36/69/04/296366904.db2.gz AMMRMXDSJZUZBD-INMHGKMJSA-N 2 0 305.441 2.772 20 0 DFADRP Cc1nn(C)c(C)c1CCC[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1 ZINC000423015186 296367733 /nfs/dbraw/zinc/36/77/33/296367733.db2.gz KEQNMYYOUILKHT-GUDVDZBRSA-N 2 0 318.509 2.870 20 0 DFADRP Fc1ccc([C@H]2OCC[C@@H]2[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1F ZINC000423014791 296367738 /nfs/dbraw/zinc/36/77/38/296367738.db2.gz JKCOPCBIMFONFM-UXVMFXKOSA-N 2 0 308.372 2.667 20 0 DFADRP C[C@@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]CCSCC(F)(F)F ZINC000423012446 296367494 /nfs/dbraw/zinc/36/74/94/296367494.db2.gz DAZWQMSEURKFIT-DGCLKSJQSA-N 2 0 306.397 2.830 20 0 DFADRP COc1ccccc1OC[C@H](C)C[NH2+][C@@H](C)[C@H]1CCCC[NH2+]1 ZINC000423024335 296369152 /nfs/dbraw/zinc/36/91/52/296369152.db2.gz LMTGGNNTEBAURV-OWCLPIDISA-N 2 0 306.450 2.830 20 0 DFADRP COc1ccccc1OC[C@@H](C)C[NH2+][C@H](C)[C@@H]1CCCC[NH2+]1 ZINC000423024337 296369218 /nfs/dbraw/zinc/36/92/18/296369218.db2.gz LMTGGNNTEBAURV-XHSDSOJGSA-N 2 0 306.450 2.830 20 0 DFADRP COc1ccccc1OC[C@H](C)C[NH2+][C@H]1CCCC[C@H]1C[NH3+] ZINC000423025901 296369354 /nfs/dbraw/zinc/36/93/54/296369354.db2.gz PKWKVYHLLRJMAS-PMPSAXMXSA-N 2 0 306.450 2.817 20 0 DFADRP CN1CC[C@H]([NH2+]C2CCC(C[NH3+])CC2)[C@@H]1c1ccc(F)c(F)c1 ZINC000423024512 296369395 /nfs/dbraw/zinc/36/93/95/296369395.db2.gz LUHDDEGHMAXTMF-GPDROORESA-N 2 0 323.431 2.817 20 0 DFADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]CC1([C@@H](C)CCO)CCC1 ZINC000423018087 296368675 /nfs/dbraw/zinc/36/86/75/296368675.db2.gz QFBDCEWAAFDDIU-UONOGXRCSA-N 2 0 305.466 2.688 20 0 DFADRP CC(C)[NH+]1CCN(c2cccc(N[C@H]3CCC[C@@H]3C[NH3+])c2)CC1 ZINC000423021584 296368727 /nfs/dbraw/zinc/36/87/27/296368727.db2.gz CKEFAQWUELGMOM-APWZRJJASA-N 2 0 316.493 2.756 20 0 DFADRP CC(C)[NH+]1CCN(c2cccc(N[C@H]3CCC[C@@H]3[NH3+])c2)CC1 ZINC000423021542 296368828 /nfs/dbraw/zinc/36/88/28/296368828.db2.gz CDKDULSUVOEEKG-ROUUACIJSA-N 2 0 302.466 2.509 20 0 DFADRP Cc1cc(C[NH+](C)C)cc(N[C@@H]2CCC[C@H]2[C@@H]2COCC[NH2+]2)c1 ZINC000423022000 296368926 /nfs/dbraw/zinc/36/89/26/296368926.db2.gz DINVRLWNXWIQIC-QRVBRYPASA-N 2 0 317.477 2.626 20 0 DFADRP CN1CC[C@@H]([NH2+]C2CCC([NH3+])CC2)[C@@H]1c1ccc(F)c(F)c1 ZINC000423022254 296368945 /nfs/dbraw/zinc/36/89/45/296368945.db2.gz HGZNVPKINNQZNS-YCUKKYJWSA-N 2 0 309.404 2.570 20 0 DFADRP [NH3+]C1CCC([NH2+][C@@H]2CCN(c3ccc(Cl)c(F)c3)C2)CC1 ZINC000423022750 296368952 /nfs/dbraw/zinc/36/89/52/296368952.db2.gz IJUINJXBHVDMSU-WXRRBKDZSA-N 2 0 311.832 2.917 20 0 DFADRP Cc1cccc2c1C[C@H]([NH2+]C1CC[NH+](CC3CC3)CC1)CO2 ZINC000624071955 399543798 /nfs/dbraw/zinc/54/37/98/399543798.db2.gz PQAXXZNNCXLMRH-KRWDZBQOSA-N 2 0 300.446 2.763 20 0 DFADRP C[C@@H](NC1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000423039963 296371012 /nfs/dbraw/zinc/37/10/12/296371012.db2.gz GJBZGGMXINKSCJ-SKPIHXQZSA-N 2 0 313.489 2.770 20 0 DFADRP c1ccc2c(c1)CC([NH2+][C@@H]1C[C@]3(CC[NH2+]C3)Oc3ccccc31)C2 ZINC000423040201 296371017 /nfs/dbraw/zinc/37/10/17/296371017.db2.gz SMOBREWWYLDGLI-CTNGQTDRSA-N 2 0 320.436 2.999 20 0 DFADRP C[C@H]([NH2+][C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)[C@H]1CCCOC1 ZINC000423041509 296371045 /nfs/dbraw/zinc/37/10/45/296371045.db2.gz JFYGQFCCDOZIMI-MFWIUYSUSA-N 2 0 316.445 2.647 20 0 DFADRP C[C@H]([NH2+][C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)[C@@H]1CCCCO1 ZINC000423044953 296371289 /nfs/dbraw/zinc/37/12/89/296371289.db2.gz RMRSFCLJHNSBML-RUENVJTFSA-N 2 0 316.445 2.790 20 0 DFADRP c1ccc2c(c1)O[C@]1(CC[NH2+]C1)C[C@@H]2[NH2+]CC[C@@H]1CCCCO1 ZINC000423043255 296371315 /nfs/dbraw/zinc/37/13/15/296371315.db2.gz OAGIEZHHPIUPKQ-VDZJLULYSA-N 2 0 316.445 2.791 20 0 DFADRP COC[C@H](CCC[NH3+])[NH2+]Cc1ccccc1N1CCCCC1 ZINC000423048487 296371581 /nfs/dbraw/zinc/37/15/81/296371581.db2.gz WMYUNQMWLVPCOD-KRWDZBQOSA-N 2 0 305.466 2.520 20 0 DFADRP C[C@@H]([NH2+][C@@H](C)[C@H]1CCC[NH2+]C1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000423051073 296372418 /nfs/dbraw/zinc/37/24/18/296372418.db2.gz ZTLDLFOZVFRSIC-HNJRGHQBSA-N 3 0 315.505 2.875 20 0 DFADRP Cn1cc(CC[NH2+][C@H]2CCCC[C@H]2C[NH3+])c2ccc(F)cc21 ZINC000423049322 296372160 /nfs/dbraw/zinc/37/21/60/296372160.db2.gz JOENLDBRTOVDOE-GUYCJALGSA-N 2 0 303.425 2.967 20 0 DFADRP C[C@H]([NH3+])[C@H]1COCC[C@H]1[NH2+]CCCCCc1ccc(F)cc1 ZINC000423057965 296373010 /nfs/dbraw/zinc/37/30/10/296373010.db2.gz BDBRNRHABVZYFL-BMGDILEWSA-N 2 0 308.441 2.880 20 0 DFADRP C[C@H](NC[C@H](C1CC1)[N@H+](C)Cc1ccccc1)[C@H]1CCC[NH2+]1 ZINC000423059358 296373029 /nfs/dbraw/zinc/37/30/29/296373029.db2.gz FKIDQLCDZVIJQG-KFKAGJAMSA-N 2 0 301.478 2.627 20 0 DFADRP C[C@H](CCCC[NH3+])[NH2+][C@H](c1cnn(C)c1)c1ccc(F)cc1 ZINC000423057724 296373090 /nfs/dbraw/zinc/37/30/90/296373090.db2.gz ZUIGLKSOBGDCEP-DYVFJYSZSA-N 2 0 304.413 2.756 20 0 DFADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]C[C@](C)(O)C1CCCCC1 ZINC000423069052 296374484 /nfs/dbraw/zinc/37/44/84/296374484.db2.gz CYCLVMRPXVGFOU-ACJLOTCBSA-N 2 0 305.466 2.831 20 0 DFADRP FC(F)(F)c1ccccc1N1CC[C@H]([NH2+]C2CC[NH2+]CC2)C1 ZINC000423067344 296374504 /nfs/dbraw/zinc/37/45/04/296374504.db2.gz ZCEKYWPYOYERPX-ZDUSSCGKSA-N 2 0 313.367 2.626 20 0 DFADRP COc1ccc(F)cc1C[NH2+][C@H](C)c1ccc(C[NH3+])nc1C ZINC000423064355 296373838 /nfs/dbraw/zinc/37/38/38/296373838.db2.gz RGAOQZMXNPAPKT-LLVKDONJSA-N 2 0 303.381 2.847 20 0 DFADRP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+]CCN1CCc2c(Cl)cccc2C1 ZINC000423063359 296373935 /nfs/dbraw/zinc/37/39/35/296373935.db2.gz WEAYDILMYPVYQL-MSOLQXFVSA-N 2 0 321.896 2.948 20 0 DFADRP C[C@H](CCC[NH3+])[NH2+]C[C@]1(Cc2ccc(F)cc2)CCC[C@H]1O ZINC000423071339 296374955 /nfs/dbraw/zinc/37/49/55/296374955.db2.gz FJLBZPJOYAPJQJ-ZTFGCOKTSA-N 2 0 308.441 2.616 20 0 DFADRP CCOC(=O)C1([C@@H](C)[NH2+][C@@H]2CCC23CCCC3)CC[NH2+]CC1 ZINC000423072682 296375165 /nfs/dbraw/zinc/37/51/65/296375165.db2.gz HNIJHUBOXKOEDY-HUUCEWRRSA-N 2 0 308.466 2.620 20 0 DFADRP C([NH2+][C@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1)[C@@H]1CCCCN1C1CC1 ZINC000423075255 296375245 /nfs/dbraw/zinc/37/52/45/296375245.db2.gz OCNHKTWDAPMVQM-OKYOBFRVSA-N 2 0 305.510 2.904 20 0 DFADRP C[C@@H](O)[C@@](C)(C[NH2+]C1CCC(C[NH3+])CC1)Cc1ccccc1 ZINC000423072469 296374849 /nfs/dbraw/zinc/37/48/49/296374849.db2.gz JKDWKMVAIXKOQV-JYPHPWERSA-N 2 0 304.478 2.723 20 0 DFADRP C[C@@H]([NH3+])[C@@H](Cc1ccccc1)NCC(C)(C)C[NH+]1CCCC1 ZINC000423071405 296374921 /nfs/dbraw/zinc/37/49/21/296374921.db2.gz HTVXNLGOTLHSJL-SJLPKXTDSA-N 2 0 303.494 2.657 20 0 DFADRP C[C@H](O)[C@](C)(C[NH2+][C@@H]1CCCC[C@H]1C[NH3+])Cc1ccccc1 ZINC000423078500 296375636 /nfs/dbraw/zinc/37/56/36/296375636.db2.gz OQTOTMFXLZTEHP-KANFNMMFSA-N 2 0 304.478 2.723 20 0 DFADRP COC[C@H](CCC[NH3+])[NH2+][C@@H](C)c1nc(C(F)(F)F)cs1 ZINC000423080980 296376023 /nfs/dbraw/zinc/37/60/23/296376023.db2.gz CBYGWRRTKMNJAB-IUCAKERBSA-N 2 0 311.373 2.566 20 0 DFADRP CC[NH+](CC)[C@H](C)CN[C@@H](c1ccc(OC)cc1)[C@@H]1CCC[NH2+]1 ZINC000423087798 296376608 /nfs/dbraw/zinc/37/66/08/296376608.db2.gz QKHXWQCKFVMVFH-MNEFBYGVSA-N 2 0 319.493 2.808 20 0 DFADRP COC[C@H](CCC[NH3+])[NH2+][C@@H](c1ccc(C)cc1)c1ccccn1 ZINC000423085589 296376739 /nfs/dbraw/zinc/37/67/39/296376739.db2.gz KWMMQCTWICVWRJ-HKUYNNGSSA-N 2 0 313.445 2.823 20 0 DFADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]C[C@@H]1CCCN(c2ccccc2)C1 ZINC000423089357 296377066 /nfs/dbraw/zinc/37/70/66/296377066.db2.gz UXPSUVLCWKJFQI-ZIFCJYIRSA-N 2 0 301.478 2.881 20 0 DFADRP COC[C@@H](CCC[NH3+])[NH2+]Cc1ccc(-c2ccco2)cc1F ZINC000423082574 296376452 /nfs/dbraw/zinc/37/64/52/296376452.db2.gz DLUDTLSTOBFNEY-OAHLLOKOSA-N 2 0 306.381 2.929 20 0 DFADRP [NH3+]C1CCC([NH2+][C@@H](CO)c2c(Cl)cccc2Cl)CC1 ZINC000423096247 296378027 /nfs/dbraw/zinc/37/80/27/296378027.db2.gz OFRQOMWTGCIHDL-ZPPKWKGLSA-N 2 0 303.233 2.886 20 0 DFADRP C[C@H]([NH3+])[C@H]1COCC[C@H]1[NH2+][C@H]1C[C@H](c2cc(F)cc(F)c2)C1 ZINC000423100291 296378291 /nfs/dbraw/zinc/37/82/91/296378291.db2.gz VBAUKSBFAGKZEZ-OGUSLDPUSA-N 2 0 310.388 2.553 20 0 DFADRP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1[NH2+][C@H]1C[C@H](c2cc(F)cc(F)c2)C1 ZINC000423100290 296378347 /nfs/dbraw/zinc/37/83/47/296378347.db2.gz VBAUKSBFAGKZEZ-CWKGXVCISA-N 2 0 310.388 2.553 20 0 DFADRP COc1ccc(C[C@@H](C)[NH2+]C[C@H]2CCCC[N@H+](C)C2)cc1OC ZINC000624119543 399559183 /nfs/dbraw/zinc/55/91/83/399559183.db2.gz DSWHZQHYTZPDTI-NVXWUHKLSA-N 2 0 320.477 2.956 20 0 DFADRP CCOC(=O)C1([C@@H](C)[NH2+]CC2C(C)(C)C2(C)C)CC[NH2+]CC1 ZINC000423101229 296378699 /nfs/dbraw/zinc/37/86/99/296378699.db2.gz VQJBOUNCIKPTQM-CYBMUJFWSA-N 2 0 310.482 2.580 20 0 DFADRP Cc1cc2cc(C[NH2+][C@@H]3CCOC[C@H]3[C@@H]3CCC[NH2+]3)ccc2[nH]1 ZINC000423105830 296379013 /nfs/dbraw/zinc/37/90/13/296379013.db2.gz IXGIFBCQMSCIDO-YTQUADARSA-N 2 0 313.445 2.723 20 0 DFADRP C[N@@H+]1CCCC[C@@H](CN[C@H](c2ncc[nH]2)c2ccc(F)cc2)C1 ZINC000624122950 399561316 /nfs/dbraw/zinc/56/13/16/399561316.db2.gz BNFPGPPSJSNZQU-YOEHRIQHSA-N 2 0 316.424 2.960 20 0 DFADRP COCCCOc1ccc(C[NH2+][C@H]2CCCC[C@@H]2C[NH3+])cc1 ZINC000423114058 296379971 /nfs/dbraw/zinc/37/99/71/296379971.db2.gz ZVGMRBHWJDFUHP-AEFFLSMTSA-N 2 0 306.450 2.709 20 0 DFADRP C[C@H](C[C@@H]1COCCN1)[NH2+]CCCc1c[nH]c2ccc(F)cc12 ZINC000423118208 296380606 /nfs/dbraw/zinc/38/06/06/296380606.db2.gz ZICBYAORUBVJDH-CZUORRHYSA-N 2 0 319.424 2.596 20 0 DFADRP CC(=O)N1C[C@@H]2CCC[C@H]([NH2+][C@H](C)C[C@H]3CCCCC[NH2+]3)[C@H]2C1 ZINC000423120466 296380771 /nfs/dbraw/zinc/38/07/71/296380771.db2.gz GTVZJIGQQUTOBL-XXQMMXQMSA-N 2 0 321.509 2.534 20 0 DFADRP CC(C)Cc1ccc([C@H](CN[C@@H](C)C2C[NH2+]C2)[NH+](C)C)cc1 ZINC000423118512 296380834 /nfs/dbraw/zinc/38/08/34/296380834.db2.gz AXKAZMPLHBZCAL-KXBFYZLASA-N 2 0 303.494 2.685 20 0 DFADRP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]CCc1cccc(C(F)(F)F)n1 ZINC000423123800 296381266 /nfs/dbraw/zinc/38/12/66/296381266.db2.gz FHUPMYOLJNHBSC-WCQYABFASA-N 2 0 301.356 2.750 20 0 DFADRP [NH3+]C[C@H]1CCCC[C@H]1[NH2+]CCc1cccc(C(F)(F)F)n1 ZINC000423123799 296381288 /nfs/dbraw/zinc/38/12/88/296381288.db2.gz FHUPMYOLJNHBSC-DGCLKSJQSA-N 2 0 301.356 2.750 20 0 DFADRP CC(=O)N1CC[C@@H]([NH2+]C[C@H]2CCCC[N@@H+](C)C2)c2ccccc21 ZINC000624124096 399562986 /nfs/dbraw/zinc/56/29/86/399562986.db2.gz XEFPGQBHCFXCRZ-SJLPKXTDSA-N 2 0 315.461 2.806 20 0 DFADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]CCc1nnc(C(C)C)s1 ZINC000423123152 296381133 /nfs/dbraw/zinc/38/11/33/296381133.db2.gz DHYIWOKVLVMNTK-LLVKDONJSA-N 2 0 319.478 2.717 20 0 DFADRP OC[C@]1(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)C[C@@H]1c1ccccc1 ZINC000423129373 296382034 /nfs/dbraw/zinc/38/20/34/296382034.db2.gz WYYAUDIHTVZFLX-LASHMREHSA-N 2 0 314.473 2.663 20 0 DFADRP [NH3+][C@@H]1CCC[C@@H]1NC[C@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000423131597 296382226 /nfs/dbraw/zinc/38/22/26/296382226.db2.gz AUDLIACIHAOFAV-QRVBRYPASA-N 2 0 301.478 2.758 20 0 DFADRP [NH3+][C@@H]1CCC[C@H]1NC[C@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000423131594 296382339 /nfs/dbraw/zinc/38/23/39/296382339.db2.gz AUDLIACIHAOFAV-GUDVDZBRSA-N 2 0 301.478 2.758 20 0 DFADRP Cc1cccc2c1OC[C@H]([NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1)C2 ZINC000423141394 296383935 /nfs/dbraw/zinc/38/39/35/296383935.db2.gz PQPZPZFLKUVYCQ-ZJPYXAASSA-N 2 0 300.446 2.809 20 0 DFADRP C[C@H]([NH2+][C@H]1CCC[NH2+]CC1)c1ccc(-n2cccn2)c(F)c1 ZINC000423138129 296383534 /nfs/dbraw/zinc/38/35/34/296383534.db2.gz SEXCLECARWKOEK-ZFWWWQNUSA-N 2 0 302.397 2.804 20 0 DFADRP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+]C[C@H](O)Cc1cccc(F)c1 ZINC000423142418 296384406 /nfs/dbraw/zinc/38/44/06/296384406.db2.gz AKIZMVHXDSUQGL-ZTFGCOKTSA-N 2 0 308.441 2.630 20 0 DFADRP FC1(F)CCCC[C@@H]1C[NH2+][C@@H]1CCOC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000423147828 296385165 /nfs/dbraw/zinc/38/51/65/296385165.db2.gz SWACNIJVSGHFQN-CBBWQLFWSA-N 2 0 302.409 2.559 20 0 DFADRP [NH3+]C[C@@H]1CCC[C@H]1[NH2+]Cc1c(Cl)cccc1-n1ccnc1 ZINC000423148697 296385180 /nfs/dbraw/zinc/38/51/80/296385180.db2.gz WIAIIWIVGHTOJI-SWLSCSKDSA-N 2 0 304.825 2.743 20 0 DFADRP c1ccc2c(c1)CC[C@@H]2CC[NH2+][C@@H]1CCOC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000423150001 296385344 /nfs/dbraw/zinc/38/53/44/296385344.db2.gz YJVBXCKXVCRYFR-BTHPGYMESA-N 2 0 314.473 2.853 20 0 DFADRP CCOC(=O)C1([C@H](C)[NH2+]CC2CCCCCC2)CC[NH2+]CC1 ZINC000423153032 296385751 /nfs/dbraw/zinc/38/57/51/296385751.db2.gz MUFIBQGKGHZFFK-HNNXBMFYSA-N 2 0 310.482 2.868 20 0 DFADRP CC(C)(C[C@@H]1CCC[N@@H+]([C@H]2C[C@@H](N)c3ccccc32)C1)C(N)=O ZINC000423163497 296386766 /nfs/dbraw/zinc/38/67/66/296386766.db2.gz VPIMZZWNMUHKDI-XKQJLSEDSA-N 2 0 315.461 2.745 20 0 DFADRP Cc1cccnc1CC[NH2+][C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423159308 296386597 /nfs/dbraw/zinc/38/65/97/296386597.db2.gz XUJAOGZNRFPHSO-UYAOXDASSA-N 2 0 323.440 2.778 20 0 DFADRP CCN(CC)C(=O)Nc1ccc([C@@H](C)[NH2+]C2CC[NH2+]CC2)cc1 ZINC000423175721 296388059 /nfs/dbraw/zinc/38/80/59/296388059.db2.gz AXLQOMUTIUFVMI-CQSZACIVSA-N 2 0 318.465 2.963 20 0 DFADRP CCOC(=O)C1([C@@H](C)[NH2+][C@@H](CC)C2CCCC2)CC[NH2+]CC1 ZINC000423166278 296387355 /nfs/dbraw/zinc/38/73/55/296387355.db2.gz VEGBBTOFASLAGV-ZBFHGGJFSA-N 2 0 310.482 2.866 20 0 DFADRP C[C@@H]([NH2+]CCCN1CC[NH2+]CC1)c1cc(Cl)ccc1Cl ZINC000423174468 296388234 /nfs/dbraw/zinc/38/82/34/296388234.db2.gz ATGYFBVZWQGELP-GFCCVEGCSA-N 2 0 316.276 2.939 20 0 DFADRP CC1CC[NH+](CCC[C@@H](NCC[NH3+])c2ccc(F)cc2)CC1 ZINC000423175451 296388275 /nfs/dbraw/zinc/38/82/75/296388275.db2.gz ANNMOEXAPIGYLT-GOSISDBHSA-N 2 0 307.457 2.927 20 0 DFADRP C[C@H]([NH2+]CCCN1CC[NH2+]CC1)c1ccc(C(F)(F)F)cc1 ZINC000423176833 296388478 /nfs/dbraw/zinc/38/84/78/296388478.db2.gz IBSDDYNIRXUGBY-ZDUSSCGKSA-N 2 0 315.383 2.651 20 0 DFADRP CCCCOc1ccc([C@H](C)[NH2+]CCCN2CC[NH2+]CC2)cc1 ZINC000423190190 296390302 /nfs/dbraw/zinc/39/03/02/296390302.db2.gz SDHSKFNIWSDWHT-KRWDZBQOSA-N 2 0 319.493 2.811 20 0 DFADRP COC[C@H](CCC[NH3+])[NH2+][C@H](C)Cc1cn(C)c2ccc(F)cc12 ZINC000423189388 296390060 /nfs/dbraw/zinc/39/00/60/296390060.db2.gz QVURPHKXWBCUFH-CJNGLKHVSA-N 2 0 321.440 2.592 20 0 DFADRP CC(C)C[C@@H]([NH2+]CCN1CC[NH2+]CC1)c1ccc(Cl)cc1 ZINC000423200626 296391811 /nfs/dbraw/zinc/39/18/11/296391811.db2.gz GAGWCEZXQGEAAG-QGZVFWFLSA-N 2 0 309.885 2.922 20 0 DFADRP C[C@H](Cc1cn(C)c2ccc(F)cc12)[NH2+][C@H](C)[C@H]1CC[NH2+]C1 ZINC000423196312 296391183 /nfs/dbraw/zinc/39/11/83/296391183.db2.gz ZIINASUCNQLJKF-MCIONIFRSA-N 2 0 303.425 2.836 20 0 DFADRP CC(C)[C@H](CCc1ccc(Cl)cc1)[NH2+]CCN1CC[NH2+]CC1 ZINC000423203797 296392200 /nfs/dbraw/zinc/39/22/00/296392200.db2.gz NNNDTXXYHOGATC-SFHVURJKSA-N 2 0 323.912 2.792 20 0 DFADRP C[C@H]([NH2+]C1CCC([NH3+])CC1)c1ccc(-n2cncn2)cc1Cl ZINC000423204876 296392246 /nfs/dbraw/zinc/39/22/46/296392246.db2.gz ASISUVCPAKSMKJ-HIFPTAJRSA-N 2 0 319.840 2.841 20 0 DFADRP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)c1cccc(OCC[NH+](C)C)c1 ZINC000423206795 296392432 /nfs/dbraw/zinc/39/24/32/296392432.db2.gz DAIUIUIHMMEBKD-QTXGHNMQSA-N 3 0 317.477 2.561 20 0 DFADRP CCc1c2cc(C)ccc2oc1[C@@H](C)[NH2+]CCN1CC[NH2+]CC1 ZINC000423201724 296391920 /nfs/dbraw/zinc/39/19/20/296391920.db2.gz JESCQXJZLYLHQF-OAHLLOKOSA-N 2 0 315.461 2.859 20 0 DFADRP C[NH2+]CCCN[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000423200588 296391981 /nfs/dbraw/zinc/39/19/81/296391981.db2.gz MTHAORBOFZVGED-GUDVDZBRSA-N 3 0 301.478 2.629 20 0 DFADRP CC(C)c1cccc2c1OCCC[C@H]2[NH2+]CCN1CC[NH2+]CC1 ZINC000423201507 296392039 /nfs/dbraw/zinc/39/20/39/296392039.db2.gz IPUBGCXIWOUMFD-GOSISDBHSA-N 2 0 317.477 2.519 20 0 DFADRP C[C@H]([NH3+])CC[NH2+][C@@H]1CCc2c1cc(Br)cc2F ZINC000423225467 296394348 /nfs/dbraw/zinc/39/43/48/296394348.db2.gz MWWLXZUAAPULDR-ISVAXAHUSA-N 2 0 301.203 2.902 20 0 DFADRP C[C@H]([NH3+])CC[NH2+][C@@H]1CCCOc2ccc(Br)cc21 ZINC000423225190 296394466 /nfs/dbraw/zinc/39/44/66/296394466.db2.gz LQYWTUWYIFPABU-GXFFZTMASA-N 2 0 313.239 2.990 20 0 DFADRP C[C@H]([NH3+])CCN[C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000423228358 296394696 /nfs/dbraw/zinc/39/46/96/296394696.db2.gz ZGPODXPLBZQUMT-DSLXNQLJSA-N 2 0 301.478 2.614 20 0 DFADRP C[C@H]([NH2+]CC[C@H]1CC[NH2+]C1)c1ncc(Br)s1 ZINC000423241607 296396082 /nfs/dbraw/zinc/39/60/82/296396082.db2.gz DKTINBYLORPTHE-DTWKUNHWSA-N 2 0 304.257 2.556 20 0 DFADRP CCC[N@@H+]1CCC[C@H]1C(=O)NCC(C)(C)[NH+]1CCC[C@@H](CC)C1 ZINC000347812908 285186050 /nfs/dbraw/zinc/18/60/50/285186050.db2.gz JQADAMDLRDFTSA-SJORKVTESA-N 2 0 323.525 2.878 20 0 DFADRP C[C@H]([NH3+])CC[NH2+][C@@H](C)c1ccc(I)cc1 ZINC000423242114 296396434 /nfs/dbraw/zinc/39/64/34/296396434.db2.gz YNGQULXAINSEAI-UWVGGRQHSA-N 2 0 318.202 2.679 20 0 DFADRP CC[C@@H]1[NH2+]CC[C@H]1NCC(C)(C)C[N@H+](C)Cc1ccccc1 ZINC000629387536 399590194 /nfs/dbraw/zinc/59/01/94/399590194.db2.gz FIVPHSMKXJPBSE-ZWKOTPCHSA-N 2 0 303.494 2.875 20 0 DFADRP COc1ccc([C@H](C)[C@@H](C)[NH2+]CC[C@@H]2CC[NH2+]C2)cc1OC ZINC000423248129 296396770 /nfs/dbraw/zinc/39/67/70/296396770.db2.gz MRBWNNDPPDKFMZ-KFWWJZLASA-N 2 0 306.450 2.785 20 0 DFADRP C[C@@H]([NH2+]CC[C@H]1CC[NH2+]C1)c1nc2ccc(Cl)cc2n1C ZINC000423247715 296396850 /nfs/dbraw/zinc/39/68/50/296396850.db2.gz LPMCHYAOCQWGMT-VXGBXAGGSA-N 2 0 306.841 2.877 20 0 DFADRP COc1cc([C@@H](C)[NH2+]CC[C@H]2CC[NH2+]C2)ccc1OC(F)F ZINC000423252816 296397158 /nfs/dbraw/zinc/39/71/58/296397158.db2.gz UUUPXCXYYHKJOQ-VXGBXAGGSA-N 2 0 314.376 2.947 20 0 DFADRP Cn1ccnc1[C@@H]([NH2+]CC[C@H]1CCC[NH2+]C1)c1cccc(F)c1 ZINC000423261706 296398069 /nfs/dbraw/zinc/39/80/69/296398069.db2.gz SSEGMUWPBQUXAX-PBHICJAKSA-N 2 0 316.424 2.628 20 0 DFADRP C[C@H]([NH2+][C@H]1CCCC[C@@H]1C[NH3+])c1ccc(OCC[NH+](C)C)cc1 ZINC000423265950 296398467 /nfs/dbraw/zinc/39/84/67/296398467.db2.gz BLVSKNWFPZGMNW-WDYCEAGBSA-N 3 0 319.493 2.795 20 0 DFADRP Cn1cc([C@H]([NH2+]CC[C@H]2CCC[NH2+]C2)c2cccc(F)c2)cn1 ZINC000423256759 296397305 /nfs/dbraw/zinc/39/73/05/296397305.db2.gz FWBWMCSQBQCAML-RDTXWAMCSA-N 2 0 316.424 2.628 20 0 DFADRP COc1ccc2c(c1)[C@H]([NH2+]CC[C@@H]1CCC[NH2+]C1)CCCO2 ZINC000423255139 296397385 /nfs/dbraw/zinc/39/73/85/296397385.db2.gz AWFNINXPJSOBKM-WMLDXEAASA-N 2 0 304.434 2.888 20 0 DFADRP C[C@H]([NH2+]CC[C@@H]1CCC[NH2+]C1)c1ccc2c(c1)OCCCO2 ZINC000423259100 296397758 /nfs/dbraw/zinc/39/77/58/296397758.db2.gz NLICFUGBOYLHNZ-GJZGRUSLSA-N 2 0 304.434 2.888 20 0 DFADRP C[C@H]([NH2+][C@H](CN)C1CCCCC1)c1ccc(S(C)(=O)=O)cc1 ZINC000423261342 296397813 /nfs/dbraw/zinc/39/78/13/296397813.db2.gz JSTCWAUILJEDSG-SUMWQHHRSA-N 2 0 324.490 2.648 20 0 DFADRP COCCOc1ccc([C@H](C)[NH2+]CC[C@H]2CCC[NH2+]C2)cc1 ZINC000423260467 296397844 /nfs/dbraw/zinc/39/78/44/296397844.db2.gz QDADLFCKZCDDIN-JKSUJKDBSA-N 2 0 306.450 2.752 20 0 DFADRP C[C@H]([NH2+]CC[C@@H]1CCC[NH2+]C1)c1ncc(Br)s1 ZINC000423260958 296397869 /nfs/dbraw/zinc/39/78/69/296397869.db2.gz QYUXHJPWRQRGGL-UWVGGRQHSA-N 2 0 318.284 2.946 20 0 DFADRP CC(C)C[C@@H](CN)[NH2+][C@@H](C)c1cccc(N2CCOCC2)c1 ZINC000423262640 296397903 /nfs/dbraw/zinc/39/79/03/296397903.db2.gz NAIZCOCYEGUMNA-RDJZCZTQSA-N 2 0 305.466 2.547 20 0 DFADRP COCCOc1ccc([C@H](C)[NH2+]CC[C@@H]2CCC[NH2+]C2)cc1 ZINC000423260465 296397962 /nfs/dbraw/zinc/39/79/62/296397962.db2.gz QDADLFCKZCDDIN-HOTGVXAUSA-N 2 0 306.450 2.752 20 0 DFADRP Cc1c([C@@H](C)[NH2+]CC[C@@H]2CCC[NH2+]C2)nnn1-c1ccccc1 ZINC000423264769 296398507 /nfs/dbraw/zinc/39/85/07/296398507.db2.gz YYVGLWYKDNPTGV-ZBFHGGJFSA-N 2 0 313.449 2.616 20 0 DFADRP [NH3+]CCCOCC[NH2+]Cc1ccc(Cl)c(Br)c1 ZINC000629400017 399593906 /nfs/dbraw/zinc/59/39/06/399593906.db2.gz ODKCJNIDQUQKRN-UHFFFAOYSA-N 2 0 321.646 2.558 20 0 DFADRP C[NH2+]C[C@H](C)CN[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H]2CCC[C@H]21 ZINC000423274576 296399629 /nfs/dbraw/zinc/39/96/29/296399629.db2.gz MBSLVPSXSONVDI-IJXRJRJASA-N 2 0 315.505 2.875 20 0 DFADRP CC[C@@H]([NH2+]CC[C@H]1CCC[NH2+]C1)c1ccc(C(=O)OC)cc1 ZINC000423268781 296398971 /nfs/dbraw/zinc/39/89/71/296398971.db2.gz GLTLGIYHYCYAJZ-RHSMWYFYSA-N 2 0 304.434 2.904 20 0 DFADRP COc1ccc(C[C@H](C)[NH2+]CC[C@@H]2CCC[NH2+]C2)c(C)c1OC ZINC000423269969 296398977 /nfs/dbraw/zinc/39/89/77/296398977.db2.gz HMHWVVNFIMPXMO-HOCLYGCPSA-N 2 0 320.477 2.923 20 0 DFADRP C[C@@H]1CC[C@@H](NCC(C)(C)C[N@H+](C)Cc2ccccc2)C[NH2+]1 ZINC000629411989 399596776 /nfs/dbraw/zinc/59/67/76/399596776.db2.gz JKSMMBIKINGWRT-SJLPKXTDSA-N 2 0 303.494 2.875 20 0 DFADRP C[C@H]([NH2+][C@H]1CCCC[C@@H]1C[NH3+])c1cccc(OCC[NH+](C)C)c1 ZINC000423276829 296399806 /nfs/dbraw/zinc/39/98/06/296399806.db2.gz NIJGSDPOOWJRLK-WDYCEAGBSA-N 3 0 319.493 2.795 20 0 DFADRP CCN1CCC[C@@H]1C[NH2+][C@@H](C)c1cccc(OCC[NH+](C)C)c1 ZINC000156562166 197124166 /nfs/dbraw/zinc/12/41/66/197124166.db2.gz VTZVEAVGPPRMNG-FUHWJXTLSA-N 2 0 319.493 2.762 20 0 DFADRP COC(=O)c1coc([C@@H](C)[NH2+]Cc2ccc([C@@H](C)[NH3+])cc2)c1 ZINC000423296813 296401940 /nfs/dbraw/zinc/40/19/40/296401940.db2.gz ZWRWFFOPTJPCKD-VXGBXAGGSA-N 2 0 302.374 2.937 20 0 DFADRP CC(C)[C@@H](C(=O)NCc1ccc(C[NH+]2CCCC2)cc1)[C@H](C)[NH3+] ZINC000423309935 296402894 /nfs/dbraw/zinc/40/28/94/296402894.db2.gz MRGBPAZCCXGPGC-MAUKXSAKSA-N 2 0 317.477 2.518 20 0 DFADRP [NH3+]C1C[C@H]2CCC[C@@H](C1)C2[NH2+][C@H]1CCc2ccccc2OC1 ZINC000423312109 296403089 /nfs/dbraw/zinc/40/30/89/296403089.db2.gz RAHDYVNDNZIKHW-UIEBLEIFSA-N 2 0 300.446 2.876 20 0 DFADRP C[C@H]([NH3+])c1ccc(C(=O)NC[C@H](c2cccs2)[NH+](C)C)cc1 ZINC000423314314 296403297 /nfs/dbraw/zinc/40/32/97/296403297.db2.gz YBFCRJQFQBLMEF-SWLSCSKDSA-N 2 0 317.458 2.801 20 0 DFADRP c1c2c(cc3c1OCCC[C@@H]3[NH2+]C[C@@H]1CC[NH2+]C1)CCCC2 ZINC000423330776 296405041 /nfs/dbraw/zinc/40/50/41/296405041.db2.gz GGZMPTHWMOHEEZ-KDOFPFPSSA-N 2 0 300.446 2.978 20 0 DFADRP CC[NH+](CC)Cc1cccc(CNC(=O)[C@H]2CCC[NH2+][C@H]2C)c1 ZINC000423329934 296405303 /nfs/dbraw/zinc/40/53/03/296405303.db2.gz OZIORMUDCDLCNB-YJBOKZPZSA-N 2 0 317.477 2.533 20 0 DFADRP Clc1ccccc1C[C@H]([NH2+]C[C@H]1CC[NH2+]C1)[C@H]1CCCO1 ZINC000423337555 296406116 /nfs/dbraw/zinc/40/61/16/296406116.db2.gz KHDCGTMPUXEIBS-RRQGHBQHSA-N 2 0 308.853 2.629 20 0 DFADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+][C@@H]1CCCN(c2ccccc2)C1 ZINC000120350923 195149473 /nfs/dbraw/zinc/14/94/73/195149473.db2.gz MHUUUZHWNJMCEP-MTNOOBJLSA-N 2 0 301.478 2.974 20 0 DFADRP CC[NH+](CC)[C@H]1CCN(C(=O)C(C)(C)[C@@H]([NH3+])c2ccccc2)C1 ZINC000423335825 296405573 /nfs/dbraw/zinc/40/55/73/296405573.db2.gz XKGDGUFQMLXVRX-IRXDYDNUSA-N 2 0 317.477 2.655 20 0 DFADRP CC[NH+](CC)Cc1cccc(CNC(=O)[C@H](C(C)C)[C@H](C)[NH3+])c1 ZINC000423332236 296405577 /nfs/dbraw/zinc/40/55/77/296405577.db2.gz QQTYOXVDRUQQEB-MAUKXSAKSA-N 2 0 319.493 2.764 20 0 DFADRP CC[NH+](CC)Cc1cccc(CNC(=O)[C@H](C(C)C)[C@@H](C)[NH3+])c1 ZINC000423332207 296405737 /nfs/dbraw/zinc/40/57/37/296405737.db2.gz QQTYOXVDRUQQEB-CRAIPNDOSA-N 2 0 319.493 2.764 20 0 DFADRP C[C@H]([NH2+][C@H]1CO[C@H](C2CC2)C1)c1ccc(OCC[NH+](C)C)cc1 ZINC000624221893 399602645 /nfs/dbraw/zinc/60/26/45/399602645.db2.gz KLFVKCVWCWNNOA-YJLNNSPDSA-N 2 0 318.461 2.845 20 0 DFADRP C[C@@H]([NH2+]C[C@@H]1CC[NH2+]C1)c1ccc(Br)c(F)c1 ZINC000423350269 296407365 /nfs/dbraw/zinc/40/73/65/296407365.db2.gz XDNYUCQXQUKGMP-NXEZZACHSA-N 2 0 301.203 2.848 20 0 DFADRP COc1cc(NC(C)=O)ccc1[C@@H](C)[NH2+]CC1(C)CC[NH2+]CC1 ZINC000423346342 296406915 /nfs/dbraw/zinc/40/69/15/296406915.db2.gz ZXRQFVWQJOMINO-CYBMUJFWSA-N 2 0 319.449 2.694 20 0 DFADRP CC1(C(=O)Nc2ccc(C[NH+]3CCCCCC3)cc2)C[NH2+]C1 ZINC000423359781 296408053 /nfs/dbraw/zinc/40/80/53/296408053.db2.gz POYGGVZYPGWNPW-UHFFFAOYSA-N 2 0 301.434 2.611 20 0 DFADRP CC[N@@H+]1CC[C@H]([NH2+]CCCc2ccc(OC)c(OC)c2)[C@H](C)C1 ZINC000155198656 197031097 /nfs/dbraw/zinc/03/10/97/197031097.db2.gz UUAIYGPWSZESNC-WBVHZDCISA-N 2 0 320.477 2.956 20 0 DFADRP C[C@H]([NH3+])c1ccc(C(=O)NCC[NH+]2[C@H](C)CCC[C@H]2C)cc1 ZINC000423368741 296409414 /nfs/dbraw/zinc/40/94/14/296409414.db2.gz FLSDVUBLWLPPMX-KFWWJZLASA-N 2 0 303.450 2.699 20 0 DFADRP CC(C)[C@@H]1CCC[C@@H]([NH2+]C[C@H](N2CC[NH2+]CC2)C(F)(F)F)C1 ZINC000423371571 296409847 /nfs/dbraw/zinc/40/98/47/296409847.db2.gz AKQBVTCMOYJLFG-KFWWJZLASA-N 2 0 321.431 2.627 20 0 DFADRP CCC[C@H]([NH2+][C@H](C)CN1CC[NH+](C)CC1)c1ccc(OC)cc1 ZINC000154919502 197005404 /nfs/dbraw/zinc/00/54/04/197005404.db2.gz NCHZXJVGHWSEJC-APWZRJJASA-N 2 0 319.493 2.762 20 0 DFADRP CCC[C@H]([NH2+]C[C@@H](N1CC[NH2+]CC1)C(F)(F)F)C1CCCC1 ZINC000423396626 296412211 /nfs/dbraw/zinc/41/22/11/296412211.db2.gz RVVYLHVLKXSXHP-LSDHHAIUSA-N 2 0 321.431 2.771 20 0 DFADRP COCC1(C[NH2+][C@H](C)Cc2coc3ccccc23)CC[NH2+]CC1 ZINC000423398610 296412592 /nfs/dbraw/zinc/41/25/92/296412592.db2.gz DDTMQGNJNMSKNN-OAHLLOKOSA-N 2 0 316.445 2.970 20 0 DFADRP C[C@@H]([NH3+])c1ccc(C(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)cc1 ZINC000423427843 296415846 /nfs/dbraw/zinc/41/58/46/296415846.db2.gz NXQLXEOGCKKVOB-CZUORRHYSA-N 2 0 305.466 2.803 20 0 DFADRP c1ccc2c(c1)CCSC[C@@H]2[NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000423443016 296417077 /nfs/dbraw/zinc/41/70/77/296417077.db2.gz QBUNXPCIECWOMZ-KSZLIROESA-N 2 0 302.487 2.995 20 0 DFADRP CC(=O)NCCc1ccc([C@H](C)[NH2+][C@@H](C)CCCC[NH3+])cc1 ZINC000423447679 296417365 /nfs/dbraw/zinc/41/73/65/296417365.db2.gz ZXHAWLXGRNVWDU-GJZGRUSLSA-N 2 0 305.466 2.533 20 0 DFADRP Cc1csc(CC[NH2+]C2CCN(c3cc[nH+]cc3)CC2)n1 ZINC000063132686 542455696 /nfs/dbraw/zinc/45/56/96/542455696.db2.gz GOTOGOHORCGIPU-UHFFFAOYSA-N 2 0 302.447 2.648 20 0 DFADRP COc1cc([C@H](C)[NH2+]C[C@@H]2CCC[C@H]([NH3+])C2)cc(OC)c1OC ZINC000423453242 296417927 /nfs/dbraw/zinc/41/79/27/296417927.db2.gz AKZMZDVZMFKWDY-GUTXKFCHSA-N 2 0 322.449 2.881 20 0 DFADRP C[C@H](CCC[NH3+])[NH2+]C1CC[NH+]([C@H](C)Cc2ccccc2)CC1 ZINC000423457375 296418119 /nfs/dbraw/zinc/41/81/19/296418119.db2.gz OWYYPSVVVJBPFL-IAGOWNOFSA-N 3 0 303.494 2.799 20 0 DFADRP [NH3+][C@@H]1CCC[C@@H](C[NH2+][C@H](c2ncc[nH]2)c2ccc(F)cc2)C1 ZINC000423476086 296419815 /nfs/dbraw/zinc/41/98/15/296419815.db2.gz QJTLOBNKXSDPCJ-WQVCFCJDSA-N 2 0 302.397 2.745 20 0 DFADRP COc1ccccc1NC(=O)C[C@H](C)[NH2+]C[C@@H]1CCC[C@H]([NH3+])C1 ZINC000423474224 296419852 /nfs/dbraw/zinc/41/98/52/296419852.db2.gz YVVWLLLFYXJBFL-ZNMIVQPWSA-N 2 0 319.449 2.519 20 0 DFADRP CC(=O)NCCc1ccc([C@H](C)[NH2+]CCC[C@H]2CCC[NH2+]2)cc1 ZINC000423483465 296420738 /nfs/dbraw/zinc/42/07/38/296420738.db2.gz QAMWCSIAHZQEKA-KXBFYZLASA-N 2 0 317.477 2.548 20 0 DFADRP Cn1ccnc1[C@@H]([NH2+]CCC[C@H]1CCC[NH2+]1)c1cccc(F)c1 ZINC000423481278 296420784 /nfs/dbraw/zinc/42/07/84/296420784.db2.gz NYRFBEPOHHDXRA-SJORKVTESA-N 2 0 316.424 2.770 20 0 DFADRP COC(=O)C[C@H]([NH2+]CC[C@@H]1CCCC[N@@H+]1C)C1CCCCC1 ZINC000347953302 285266630 /nfs/dbraw/zinc/26/66/30/285266630.db2.gz GALXKZIVLGJXDK-IRXDYDNUSA-N 2 0 310.482 2.962 20 0 DFADRP COC(=O)C[C@@H]([NH2+]CC[C@H]1CCCC[N@@H+]1C)C1CCCCC1 ZINC000347953299 285266914 /nfs/dbraw/zinc/26/69/14/285266914.db2.gz GALXKZIVLGJXDK-IAGOWNOFSA-N 2 0 310.482 2.962 20 0 DFADRP C[C@H]([NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1)c1ccnn1-c1ccccc1 ZINC000423536483 296427641 /nfs/dbraw/zinc/42/76/41/296427641.db2.gz AJSLZKVIKYAMFU-YLFCFFPRSA-N 2 0 310.445 2.911 20 0 DFADRP C[C@H]([NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1)c1ccc(F)cc1N(C)C ZINC000423537424 296427789 /nfs/dbraw/zinc/42/77/89/296427789.db2.gz CYCBEIPVMQIQME-RZLSGREXSA-N 2 0 305.441 2.930 20 0 DFADRP CC[C@H]([NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1)c1ccc2c(c1)OCCO2 ZINC000423539998 296427831 /nfs/dbraw/zinc/42/78/31/296427831.db2.gz JDGIZUCAHCGJSH-HZMVEIRTSA-N 2 0 316.445 2.887 20 0 DFADRP COc1ccc(C[C@H](C)[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)cc1OC ZINC000423538336 296427880 /nfs/dbraw/zinc/42/78/80/296427880.db2.gz GDPBSRCMJPHHAK-QMCVQRASSA-N 2 0 318.461 2.613 20 0 DFADRP COCC1CCC([NH2+]CC2([NH3+])C3CC4CC(C3)CC2C4)CC1 ZINC000423533620 296427178 /nfs/dbraw/zinc/42/71/78/296427178.db2.gz YAJIVUYXFVNXJA-UHFFFAOYSA-N 2 0 306.494 2.935 20 0 DFADRP CC[C@@H]([NH2+]CCC1=CC[NH2+]CC1)c1ccc(C(=O)OC)cc1 ZINC000423541156 296428249 /nfs/dbraw/zinc/42/82/49/296428249.db2.gz RJIHMFANOCZDJU-QGZVFWFLSA-N 2 0 302.418 2.824 20 0 DFADRP C[C@@H]([NH2+]Cc1ccc[nH]c1=O)c1ccc(OCC[NH+](C)C)cc1 ZINC000624258392 399617635 /nfs/dbraw/zinc/61/76/35/399617635.db2.gz IQNSECFSPWKCAL-CQSZACIVSA-N 2 0 315.417 2.578 20 0 DFADRP COc1cc([C@@H](C)[NH2+]CCC2=CC[NH2+]CC2)cc(OC)c1OC ZINC000423561672 296429733 /nfs/dbraw/zinc/42/97/33/296429733.db2.gz PWMARFYORMQBEE-CYBMUJFWSA-N 2 0 320.433 2.673 20 0 DFADRP C[C@H]([NH2+][C@@H](C)c1ccc(OCC[NH+](C)C)cc1)c1cn[nH]c1 ZINC000271563408 209015167 /nfs/dbraw/zinc/01/51/67/209015167.db2.gz URRACCQKELRODR-KBPBESRZSA-N 2 0 302.422 2.762 20 0 DFADRP O[C@H](C[NH+]1CCC[C@@H](C2CC2)C1)C[N@@H+]1CCC[C@H](C2CC2)C1 ZINC000344052859 285302225 /nfs/dbraw/zinc/30/22/25/285302225.db2.gz INCLPPQNQYUYRX-REPLKXPHSA-N 2 0 306.494 2.591 20 0 DFADRP c1ccc(C[NH+]2CC[C@@]3(CC[N@@H+](CC4=CCCOC4)C3)C2)cc1 ZINC000289518279 221034992 /nfs/dbraw/zinc/03/49/92/221034992.db2.gz GZQIBMUJBPIRMQ-HXUWFJFHSA-N 2 0 312.457 2.931 20 0 DFADRP O[C@@H](C[NH2+][C@H](c1ccccc1)C1CCCC1)C[NH+]1CCCC1 ZINC000359369093 285305729 /nfs/dbraw/zinc/30/57/29/285305729.db2.gz FWOTZWSYDVVOFV-RBUKOAKNSA-N 2 0 302.462 2.964 20 0 DFADRP C[NH2+]CC1CC[NH+](Cc2coc(-c3ccccc3F)n2)CC1 ZINC000629512413 399629877 /nfs/dbraw/zinc/62/98/77/399629877.db2.gz WIAIBBPRVVUPKZ-UHFFFAOYSA-N 2 0 303.381 2.912 20 0 DFADRP Cc1cccc2c1C[C@H]([NH2+][C@@H](Cc1ccccc1)[C@H](C)[NH3+])CO2 ZINC000629512904 399630271 /nfs/dbraw/zinc/63/02/71/399630271.db2.gz CWVQNDXISHPOKA-IEZWGBDMSA-N 2 0 310.441 2.847 20 0 DFADRP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1[NH2+]Cc1c(Cl)oc2ccccc21 ZINC000629522978 399634980 /nfs/dbraw/zinc/63/49/80/399634980.db2.gz JGJCMCIWMRPKNA-BPNCWPANSA-N 2 0 308.809 2.928 20 0 DFADRP CC[C@@H]1[NH2+]CC[C@H]1N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000629526009 399636110 /nfs/dbraw/zinc/63/61/10/399636110.db2.gz IPKVTNVEGYHWRE-QXCFHYIPSA-N 2 0 301.478 2.627 20 0 DFADRP C[NH2+]CCOCC[NH2+][C@H](C)c1nc(-c2ccccc2)cs1 ZINC000629528982 399636466 /nfs/dbraw/zinc/63/64/66/399636466.db2.gz OLUPBOXNJUOOIC-CYBMUJFWSA-N 2 0 305.447 2.697 20 0 DFADRP C[NH2+]CCOCC[NH2+][C@@H]1CCCOc2cc3c(cc21)CCCC3 ZINC000629529457 399636655 /nfs/dbraw/zinc/63/66/55/399636655.db2.gz CZEGTUFHHHXJHB-GOSISDBHSA-N 2 0 318.461 2.605 20 0 DFADRP C[NH2+]CCOCC[NH2+][C@H]1CCSc2c(Cl)cccc21 ZINC000629528595 399636906 /nfs/dbraw/zinc/63/69/06/399636906.db2.gz DLGXPRXGFQCLGE-ZDUSSCGKSA-N 2 0 300.855 2.703 20 0 DFADRP CC[C@@H]1[NH2+]CC[C@H]1NC1CC[NH+]([C@H](C)Cc2ccccc2)CC1 ZINC000629528409 399636921 /nfs/dbraw/zinc/63/69/21/399636921.db2.gz YORMWITXKWRMEP-LSTHTHJFSA-N 2 0 315.505 2.812 20 0 DFADRP CC[N@@H+]1CC[C@@H](C[NH2+][C@H](C)c2ccc(Br)nc2)C1 ZINC000289951592 221337654 /nfs/dbraw/zinc/33/76/54/221337654.db2.gz WOMCLDNRKBNZGY-NEPJUHHUSA-N 2 0 312.255 2.837 20 0 DFADRP CC[C@@H]1[NH2+]CC[C@H]1C(=O)NC[C@H](c1ccsc1)[NH+](CC)CC ZINC000289957019 221341011 /nfs/dbraw/zinc/34/10/11/221341011.db2.gz MPEPGYLLOVHISA-OWCLPIDISA-N 2 0 323.506 2.635 20 0 DFADRP Cc1ccc(OC(F)F)c([C@H](C)[NH2+]CCOCCC[NH3+])c1 ZINC000629536191 399639070 /nfs/dbraw/zinc/63/90/70/399639070.db2.gz GACFXAAWBSHVLA-LBPRGKRZSA-N 2 0 302.365 2.612 20 0 DFADRP C[C@@H]1CSC[C@@H]1[NH2+]C[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000294946837 224331248 /nfs/dbraw/zinc/33/12/48/224331248.db2.gz FEHNVBDVAYPTKQ-NXHRZFHOSA-N 2 0 304.503 2.892 20 0 DFADRP C[C@H]([NH2+]CCOCCC[NH3+])c1ccccc1OC(F)(F)F ZINC000629534475 399638832 /nfs/dbraw/zinc/63/88/32/399638832.db2.gz AIZOQSRFXFOPFW-NSHDSACASA-N 2 0 306.328 2.601 20 0 DFADRP CC(C)([NH2+]C[C@@H]1CCC2(C[NH2+]C2)O1)c1nc2ccccc2s1 ZINC000629543743 399641145 /nfs/dbraw/zinc/64/11/45/399641145.db2.gz ATVXJFWGMKUDAA-LBPRGKRZSA-N 2 0 317.458 2.642 20 0 DFADRP [NH3+]CCCOCC[NH2+][C@@H]1CCSc2c(Cl)cccc21 ZINC000629541987 399641165 /nfs/dbraw/zinc/64/11/65/399641165.db2.gz VVIQMHYKCINGDP-CYBMUJFWSA-N 2 0 300.855 2.832 20 0 DFADRP O[C@@H](C[NH2+][C@H]1C[C@H](c2ccc(Cl)cc2)C1)C[NH+]1CCCC1 ZINC000629579559 399653463 /nfs/dbraw/zinc/65/34/63/399653463.db2.gz TUSPPLPSTXTWHH-XIRDDKMYSA-N 2 0 308.853 2.632 20 0 DFADRP C[N@H+](CCOCC[NH3+])Cc1ccccc1OCc1ccccc1 ZINC000629581115 399653778 /nfs/dbraw/zinc/65/37/78/399653778.db2.gz NOHRQBFXLDAIKU-UHFFFAOYSA-N 2 0 314.429 2.673 20 0 DFADRP O[C@H](C[NH2+]C[C@@H]1CCC[C@H]1c1ccccc1)C[NH+]1CCCC1 ZINC000629579512 399654072 /nfs/dbraw/zinc/65/40/72/399654072.db2.gz FGMQPELFBMTYKY-OTWHNJEPSA-N 2 0 302.462 2.617 20 0 DFADRP CO[C@@H](C[NH+]1CCC(CO[C@H]2CC[NH2+]C2)CC1)C1CCCCC1 ZINC000629591360 399658046 /nfs/dbraw/zinc/65/80/46/399658046.db2.gz GBKLFBDXMCOLCQ-OALUTQOASA-N 2 0 324.509 2.672 20 0 DFADRP CC(C)(C)[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCCC[NH+]2C2CCCC2)C1 ZINC000617344515 399670007 /nfs/dbraw/zinc/67/00/07/399670007.db2.gz KOFWDKPSGHSBSK-RDJZCZTQSA-N 2 0 321.509 2.773 20 0 DFADRP C[C@@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]CC(C)(C)C(=O)N1CCCC1 ZINC000629549596 399644377 /nfs/dbraw/zinc/64/43/77/399644377.db2.gz SKYKEGZJGUVVLV-HOTGVXAUSA-N 2 0 309.498 2.535 20 0 DFADRP CC(C)CC[C@@H]1CC[C@@H]([NH2+]Cc2cn([C@H]3CC[NH2+]C3)nn2)C1 ZINC000629549768 399645656 /nfs/dbraw/zinc/64/56/56/399645656.db2.gz LHAQFLOMLWURJR-INMHGKMJSA-N 2 0 305.470 2.507 20 0 DFADRP CC(C)(C[NH2+]C[C@H](O)C[NH+]1CCCC1)c1ccccc1Cl ZINC000629559878 399649488 /nfs/dbraw/zinc/64/94/88/399649488.db2.gz OSJGCOHOPDARSP-AWEZNQCLSA-N 2 0 310.869 2.664 20 0 DFADRP COc1ccc([C@H]([NH2+][C@@H](C)C2CC[NH+](C)CC2)C2CC2)cn1 ZINC000624345561 399649820 /nfs/dbraw/zinc/64/98/20/399649820.db2.gz MGLFHRZAURAMBN-SCLBCKFNSA-N 2 0 303.450 2.861 20 0 DFADRP O[C@H](C[NH2+]CC1(c2cccs2)CCCCC1)C[NH+]1CCCC1 ZINC000629564040 399650904 /nfs/dbraw/zinc/65/09/04/399650904.db2.gz JQJIFYGOAQFBMQ-MRXNPFEDSA-N 2 0 322.518 2.996 20 0 DFADRP Cc1ccc(-c2ncc(C[N@H+](C)CCOCC[NH3+])s2)cc1 ZINC000629663053 399681300 /nfs/dbraw/zinc/68/13/00/399681300.db2.gz JMWZHXATZUYHNC-UHFFFAOYSA-N 2 0 305.447 2.526 20 0 DFADRP C[C@@H](C[N@H+](C)CCOCC[NH3+])c1ccc(C(F)(F)F)cc1 ZINC000629662506 399681421 /nfs/dbraw/zinc/68/14/21/399681421.db2.gz FWRHZTXGBJRCJN-LBPRGKRZSA-N 2 0 304.356 2.716 20 0 DFADRP CC[C@@H]1[C@@H](C(=O)N[C@H](C)[C@@H](c2ccccc2)[NH+](C)C)CC[N@@H+]1C ZINC000632517547 399681739 /nfs/dbraw/zinc/68/17/39/399681739.db2.gz MMPDROXXLJFHOJ-SPUZQDLCSA-N 2 0 317.477 2.524 20 0 DFADRP C[NH+](C)CCOc1cccc(-c2nc3c(s2)C[C@@H]([NH3+])CC3)c1 ZINC000629701684 399695083 /nfs/dbraw/zinc/69/50/83/399695083.db2.gz XYSYZINGIWSEIA-ZDUSSCGKSA-N 2 0 317.458 2.567 20 0 DFADRP CN1CC[NH+](Cc2ccccc2-c2cccc([C@@H]3C[C@H]3[NH3+])c2)CC1 ZINC000629735373 399707554 /nfs/dbraw/zinc/70/75/54/399707554.db2.gz UBPNWEOJZDYZST-LEWJYISDSA-N 2 0 321.468 2.916 20 0 DFADRP CN1CC[NH+](Cc2ccccc2-c2ccc3c(c2)CC[NH2+]C3)CC1 ZINC000629735446 399707709 /nfs/dbraw/zinc/70/77/09/399707709.db2.gz XFNYFBXRPKHVJP-UHFFFAOYSA-N 2 0 321.468 2.747 20 0 DFADRP Cc1c(C[C@@H](C[NH3+])CO)cccc1-c1ccc([C@@H](C)[NH3+])c(F)c1 ZINC000629737990 399709274 /nfs/dbraw/zinc/70/92/74/399709274.db2.gz OUGRSUZOBXMBQT-KGLIPLIRSA-N 2 0 316.420 2.931 20 0 DFADRP [NH3+]C1CC[NH+](Cc2cccc(-c3c[nH]c(=O)c(F)c3)c2)CC1 ZINC000629739476 399709655 /nfs/dbraw/zinc/70/96/55/399709655.db2.gz XSIMGIJCDRUJKX-UHFFFAOYSA-N 2 0 301.365 2.516 20 0 DFADRP C[C@H]([NH2+]CCc1nc2c(cccc2F)n1C)C1CC[NH+](C)CC1 ZINC000089674493 542531327 /nfs/dbraw/zinc/53/13/27/542531327.db2.gz IZUBRWWMSVEJLO-ZDUSSCGKSA-N 2 0 318.440 2.575 20 0 DFADRP c1ccc(C[N@H+]2C[C@@H]3CC[C@@H]([NH2+]C[C@H]4CCCO4)[C@H]3C2)cc1 ZINC000294977720 224354048 /nfs/dbraw/zinc/35/40/48/224354048.db2.gz GGWHNGPRXSXWRJ-ZSYWTGECSA-N 2 0 300.446 2.666 20 0 DFADRP C[C@H]([NH2+]CCc1nc2cc(F)ccc2n1C)C1CC[NH+](C)CC1 ZINC000090044124 542534424 /nfs/dbraw/zinc/53/44/24/542534424.db2.gz XFHROPPJXOAGGJ-ZDUSSCGKSA-N 2 0 318.440 2.575 20 0 DFADRP CC[NH+]1CCN(CCCC[NH2+][C@@H](C)c2cnc(C)s2)CC1 ZINC000090402650 542535662 /nfs/dbraw/zinc/53/56/62/542535662.db2.gz SJFPHRSVRQLZAY-AWEZNQCLSA-N 2 0 310.511 2.520 20 0 DFADRP c1ccc2c(c1)CCCN2CC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000090552395 542536534 /nfs/dbraw/zinc/53/65/34/542536534.db2.gz IWPJEFAUZOAWGL-UHFFFAOYSA-N 2 0 322.456 2.656 20 0 DFADRP COc1ccc(OC)c(CCC[NH2+][C@H](C)C2CC[NH+](C)CC2)c1 ZINC000090888423 542538803 /nfs/dbraw/zinc/53/88/03/542538803.db2.gz CCEUBHHOLGHHDB-OAHLLOKOSA-N 2 0 320.477 2.956 20 0 DFADRP COCCCOc1cccc(C[NH2+][C@@H](C)C2CC[NH+](C)CC2)c1 ZINC000090719042 542539101 /nfs/dbraw/zinc/53/91/01/542539101.db2.gz JHJCPWQCWHBGMR-INIZCTEOSA-N 2 0 320.477 2.922 20 0 DFADRP C[C@H]([NH2+]CCc1nnc(-c2ccccc2)o1)C1CC[NH+](C)CC1 ZINC000090659887 542539183 /nfs/dbraw/zinc/53/91/83/542539183.db2.gz DCZZHRJURLIKKQ-AWEZNQCLSA-N 2 0 314.433 2.599 20 0 DFADRP C[NH+](C)CCOc1ccc(C[N@@H+]2CCSC(C)(C)C2)cc1 ZINC000093504298 542553331 /nfs/dbraw/zinc/55/33/31/542553331.db2.gz NICKEQNCGQOYAH-UHFFFAOYSA-N 2 0 308.491 2.954 20 0 DFADRP Cn1cccc1C[N@H+](C)Cc1ccc(OCC[NH+](C)C)cc1 ZINC000093584335 542553745 /nfs/dbraw/zinc/55/37/45/542553745.db2.gz DCQNHLRBOSIGTH-UHFFFAOYSA-N 2 0 301.434 2.598 20 0 DFADRP C[C@@H]1C[NH+](CCCC[NH2+]Cc2nc3c(s2)CCC3)C[C@@H](C)O1 ZINC000093066168 542551178 /nfs/dbraw/zinc/55/11/78/542551178.db2.gz COGANLHVGMXQTM-ZIAGYGMSSA-N 2 0 323.506 2.611 20 0 DFADRP CC[C@H]1CC[C@@H]1[NH2+]Cc1ccc(N2CC[NH+](CC)CC2)nc1 ZINC000348086296 285337803 /nfs/dbraw/zinc/33/78/03/285337803.db2.gz NMINOEKYMBXDHU-IRXDYDNUSA-N 2 0 302.466 2.502 20 0 DFADRP C[NH+]1CCN(c2cc(C[NH2+][C@H]3CC[C@@H]3C(C)(C)C)ccn2)CC1 ZINC000348098808 285347742 /nfs/dbraw/zinc/34/77/42/285347742.db2.gz BTNKOELGEGROBC-IRXDYDNUSA-N 2 0 316.493 2.748 20 0 DFADRP CO[C@@H]1CCN([C@@H]2CCC[C@@H]2[NH2+]Cc2cc(F)cc(F)c2)C1 ZINC000626050659 399735201 /nfs/dbraw/zinc/73/52/01/399735201.db2.gz VKZIWCQIVASTNX-IXDOHACOSA-N 2 0 310.388 2.696 20 0 DFADRP CC[C@@H]([NH2+]C[C@H](C)CN1CC[NH+](C)CC1)c1ccc(F)cc1 ZINC000121031479 195283156 /nfs/dbraw/zinc/28/31/56/195283156.db2.gz WRBNRIRINVBCNP-MAUKXSAKSA-N 2 0 307.457 2.750 20 0 DFADRP Cc1ccc(C[N@@H+](C)CC2CC[NH+](C[C@@H](C)O)CC2)c(C)c1 ZINC000121122245 195295706 /nfs/dbraw/zinc/29/57/06/195295706.db2.gz NHPFAWQIIUTWOB-QGZVFWFLSA-N 2 0 304.478 2.828 20 0 DFADRP Cc1cc(F)ccc1C[N@@H+](C)CC1CC[NH+](C[C@@H](C)O)CC1 ZINC000121124284 195296638 /nfs/dbraw/zinc/29/66/38/195296638.db2.gz YKAGVFOAQJTDQO-OAHLLOKOSA-N 2 0 308.441 2.659 20 0 DFADRP COC(=O)c1ccc([C@H](C)[NH+]2CCC(CC[NH+](C)C)CC2)o1 ZINC000121658680 195325123 /nfs/dbraw/zinc/32/51/23/195325123.db2.gz CTMQOAFRWWNFSY-ZDUSSCGKSA-N 2 0 308.422 2.791 20 0 DFADRP CC[NH+]1CCC(CC[NH2+][C@@H](COC)Cc2ccccc2)CC1 ZINC000121733544 195337385 /nfs/dbraw/zinc/33/73/85/195337385.db2.gz HFLNHQZXAWAOFF-LJQANCHMSA-N 2 0 304.478 2.956 20 0 DFADRP CC[C@@H]1CC[C@H]1[NH2+]Cc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC000348124687 285365880 /nfs/dbraw/zinc/36/58/80/285365880.db2.gz NLFJVMWZJXTCDZ-IEBWSBKVSA-N 2 0 302.462 2.922 20 0 DFADRP C[C@H]1CCCC[C@H]1N(C)C(=O)C[NH+]1CCC(CC[NH+](C)C)CC1 ZINC000121618887 195318588 /nfs/dbraw/zinc/31/85/88/195318588.db2.gz KHVILFJJHAHEPP-FUHWJXTLSA-N 2 0 323.525 2.687 20 0 DFADRP C[C@H]1CCC[C@H](C)N1C(=O)C[NH+]1CCC(CCC[NH+](C)C)CC1 ZINC000123532273 195592804 /nfs/dbraw/zinc/59/28/04/195592804.db2.gz VSFMWFZQUKTPTC-IRXDYDNUSA-N 2 0 323.525 2.830 20 0 DFADRP C[NH+](C)CCCC1CC[NH+](C[C@](C)(O)c2ccccc2)CC1 ZINC000123349828 195571168 /nfs/dbraw/zinc/57/11/68/195571168.db2.gz TZMYTJFZYHCFCX-IBGZPJMESA-N 2 0 304.478 2.948 20 0 DFADRP CC(C)C[C@H](C)C[NH2+]Cc1ccc(C(=O)NCC[NH+](C)C)cc1 ZINC000348133401 285372231 /nfs/dbraw/zinc/37/22/31/285372231.db2.gz LLFGCWBBJDYINR-INIZCTEOSA-N 2 0 319.493 2.750 20 0 DFADRP CC[N@@H+]1CC[C@H](N(C)C(=O)CC2(C[NH3+])CCCCC2)C[C@H]1C ZINC000361627491 285383642 /nfs/dbraw/zinc/38/36/42/285383642.db2.gz NKSSVVBOFRZXLB-CVEARBPZSA-N 2 0 309.498 2.617 20 0 DFADRP CCc1ccc([C@@H](CC)[NH2+]C[C@@H](C)N2CC[NH+](C)CC2)cc1 ZINC000127524405 195885390 /nfs/dbraw/zinc/88/53/90/195885390.db2.gz HBJFCARMPYEKNY-VQIMIIECSA-N 2 0 303.494 2.926 20 0 DFADRP COCC[N@H+](C)CCCC1CC[NH+](Cc2ccnc(C)c2)CC1 ZINC000621271947 399740381 /nfs/dbraw/zinc/74/03/81/399740381.db2.gz YYKJOCPBEMRXBT-UHFFFAOYSA-N 2 0 319.493 2.960 20 0 DFADRP CC[N@H+](CCc1cncn1C)Cc1ccc(C[NH+](C)C)cc1 ZINC000626062852 399741400 /nfs/dbraw/zinc/74/14/00/399741400.db2.gz JHAHCUVFNILMKX-UHFFFAOYSA-N 2 0 300.450 2.546 20 0 DFADRP CC[N@H+](Cc1ccc(C[NH+](C)C)cc1)[C@@H](C)C(=O)NCC(C)C ZINC000626062459 399741712 /nfs/dbraw/zinc/74/17/12/399741712.db2.gz SVQBPUAIPLRBQY-INIZCTEOSA-N 2 0 319.493 2.731 20 0 DFADRP CC[N@H+](CCc1ccnn1C)Cc1ccc(C[NH+](C)C)cc1 ZINC000626063332 399742373 /nfs/dbraw/zinc/74/23/73/399742373.db2.gz ZRGBTKBSWCVSLS-UHFFFAOYSA-N 2 0 300.450 2.546 20 0 DFADRP CC[N@@H+](Cc1ccc(C[NH+](C)C)cc1)C[C@@H](OC)[C@@H]1CCOC1 ZINC000626063938 399742901 /nfs/dbraw/zinc/74/29/01/399742901.db2.gz WAFIXKXYQHIJGN-RTBURBONSA-N 2 0 320.477 2.622 20 0 DFADRP OC(C[NH+]1CCCC2(CCC2)C1)C[N@@H+]1CCCC2(CCC2)C1 ZINC000348175754 285399650 /nfs/dbraw/zinc/39/96/50/285399650.db2.gz FEVXTHJRYNALJM-UHFFFAOYSA-N 2 0 306.494 2.880 20 0 DFADRP CCC[NH+]1CCC([NH2+]CCCc2nc3ccccc3[nH]2)CC1 ZINC000120874774 542580562 /nfs/dbraw/zinc/58/05/62/542580562.db2.gz YGRMUIUYWLXESS-UHFFFAOYSA-N 2 0 300.450 2.960 20 0 DFADRP COc1ccc(C[NH2+]C[C@@H]2CC[N@H+](Cc3ccccc3)C2)cn1 ZINC000309664805 533669116 /nfs/dbraw/zinc/66/91/16/533669116.db2.gz OOQJYIWJTIHUFM-SFHVURJKSA-N 2 0 311.429 2.702 20 0 DFADRP CCO[C@@H](CC[NH+](C)C)C[NH2+][C@H]1CCc2c1cc(F)cc2F ZINC000121529016 542585040 /nfs/dbraw/zinc/58/50/40/542585040.db2.gz DLHFASCDZJPJHB-GUYCJALGSA-N 2 0 312.404 2.899 20 0 DFADRP C[NH+](C)C1CCN(CC[NH2+][C@@H]2CCc3c2cc(F)cc3F)CC1 ZINC000121501580 542585384 /nfs/dbraw/zinc/58/53/84/542585384.db2.gz YMWMYHAYFRZXCV-GOSISDBHSA-N 2 0 323.431 2.568 20 0 DFADRP CN(Cc1ccccc1)C[C@H](O)C[N@@H+]1C[C@@H]2CCCC[C@@]21C ZINC000626105065 399755021 /nfs/dbraw/zinc/75/50/21/399755021.db2.gz QVWGCJPLVNOFAB-FHWLQOOXSA-N 2 0 302.462 2.744 20 0 DFADRP c1cc(OCC[NH+]2CCCC2)ccc1C[NH+]1CCSCC1 ZINC000126238660 542605058 /nfs/dbraw/zinc/60/50/58/542605058.db2.gz NCLMYHSAWRBRJL-UHFFFAOYSA-N 2 0 306.475 2.710 20 0 DFADRP COc1ccc(O[C@H](C)C[NH2+][C@@H](C)C2CC[NH+](C)CC2)cc1 ZINC000129090898 542621989 /nfs/dbraw/zinc/62/19/89/542621989.db2.gz UTEVHSAHAPAIHJ-CABCVRRESA-N 2 0 306.450 2.782 20 0 DFADRP C[C@@H](C[NH+]1CCC(C[NH+]2CCOCC2)CC1)c1ccc(F)cc1 ZINC000275759094 130380373 /nfs/dbraw/zinc/38/03/73/130380373.db2.gz ULOWTJQUIPYCHG-INIZCTEOSA-N 2 0 320.452 2.973 20 0 DFADRP C/C=C\C[C@H]1CCC[N@H+](CC(=O)NC2CC[NH+](C(C)C)CC2)C1 ZINC000626162673 399781628 /nfs/dbraw/zinc/78/16/28/399781628.db2.gz XPQXQYBRTHZFJJ-CHYADLBTSA-N 2 0 321.509 2.654 20 0 DFADRP Cc1ccccc1[C@H]([C@H](C)NC(=O)C[N@H+](C)C1CCC1)[NH+](C)C ZINC000629990567 399784206 /nfs/dbraw/zinc/78/42/06/399784206.db2.gz CTGCDPNDJIQARQ-KXBFYZLASA-N 2 0 317.477 2.587 20 0 DFADRP Cc1cc(N2CCC(N(C)Cc3cscn3)CC2)nc(C)n1 ZINC000366627749 131029585 /nfs/dbraw/zinc/02/95/85/131029585.db2.gz NOXFGCKHHIMGPH-UHFFFAOYSA-N 2 0 317.462 2.651 20 0 DFADRP FC(F)(F)[C@H]1C[C@@H]([NH2+]CC2CC[NH+](C3CC3)CC2)CCO1 ZINC000348300343 285480925 /nfs/dbraw/zinc/48/09/25/285480925.db2.gz JHJSUFISIXCVRX-GXTWGEPZSA-N 2 0 306.372 2.560 20 0 DFADRP c1ccc(N2CC[C@@H](C[NH2+]C3CC[NH+](CC4CC4)CC3)C2)cc1 ZINC000152505255 542677607 /nfs/dbraw/zinc/67/76/07/542677607.db2.gz HGYRHIXLAHHWCJ-SFHVURJKSA-N 2 0 313.489 2.977 20 0 DFADRP C[C@H]([NH2+]C[C@H]1CCN(c2ccc(F)cc2)C1)C1CC[NH+](C)CC1 ZINC000152821847 542679015 /nfs/dbraw/zinc/67/90/15/542679015.db2.gz LLFQLIRSHOEZFZ-JKSUJKDBSA-N 2 0 319.468 2.972 20 0 DFADRP C1C[C@@H]2C[C@@H](NC3CC[NH+](C4CCCCC4)CC3)CC[N@@H+]2C1 ZINC000161583932 542731191 /nfs/dbraw/zinc/73/11/91/542731191.db2.gz YORDSKGDZFXTNN-PKOBYXMFSA-N 2 0 305.510 3.000 20 0 DFADRP CCC[NH+]1CCC([NH2+]C2CCN(Cc3ccncc3)CC2)CC1 ZINC000161597299 542731647 /nfs/dbraw/zinc/73/16/47/542731647.db2.gz XGQHCPCAFFPSQB-UHFFFAOYSA-N 2 0 316.493 2.510 20 0 DFADRP [NH3+][C@H](CCC(=O)NCC[C@@H]1CCC[NH2+]C1)CC1CCCCC1 ZINC000424081515 296483731 /nfs/dbraw/zinc/48/37/31/296483731.db2.gz VHVIAIVEZIJGOI-DLBZAZTESA-N 2 0 309.498 2.570 20 0 DFADRP C[C@@H](CCNC(=O)c1oc2ccccc2c1C[NH+](C)C)[NH+](C)C ZINC000617752140 399789644 /nfs/dbraw/zinc/78/96/44/399789644.db2.gz KIEHWJGNNVFQNL-ZDUSSCGKSA-N 2 0 317.433 2.564 20 0 DFADRP CSC1(C[NH2+][C@H](C)c2cccc(CO)c2)CC[NH+](C)CC1 ZINC000353629056 132136842 /nfs/dbraw/zinc/13/68/42/132136842.db2.gz XPNPCTKGXAKXPU-CQSZACIVSA-N 2 0 308.491 2.657 20 0 DFADRP COC1CCN(CC[NH2+][C@@H]2CCCOc3ccc(C)cc32)CC1 ZINC000163689099 542743568 /nfs/dbraw/zinc/74/35/68/542743568.db2.gz MFEIMNSIEZZVMD-GOSISDBHSA-N 2 0 318.461 2.909 20 0 DFADRP CCC[NH+]1CCC(CNC(=O)[C@@H]([NH3+])c2cccc(Cl)c2)CC1 ZINC000165868773 542749571 /nfs/dbraw/zinc/74/95/71/542749571.db2.gz HSSIOMOWJUYNJS-INIZCTEOSA-N 2 0 323.868 2.578 20 0 DFADRP CCC(CC)C(=O)N1CCC([NH2+][C@H](C)C2CC[NH+](C)CC2)CC1 ZINC000166109284 542750346 /nfs/dbraw/zinc/75/03/46/542750346.db2.gz GSBVXUAZDNJSEI-OAHLLOKOSA-N 2 0 323.525 2.734 20 0 DFADRP COc1ccc(OCCC[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000166294726 542751410 /nfs/dbraw/zinc/75/14/10/542751410.db2.gz IJOPBUUXKSAXEA-HZPDHXFCSA-N 2 0 304.434 2.681 20 0 DFADRP C[C@H](CN[C@H]1CC[N@@H+]2CCC[C@@H]2C1)[NH+](C)Cc1ccccc1 ZINC000166563580 542751472 /nfs/dbraw/zinc/75/14/72/542751472.db2.gz FUVPKSLYIIMZGG-NZSAHSFTSA-N 2 0 301.478 2.723 20 0 DFADRP CC(C)[NH2+]CCC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000167541381 542753301 /nfs/dbraw/zinc/75/33/01/542753301.db2.gz LWFQCDFMOTZHNJ-AEFFLSMTSA-N 2 0 317.477 2.544 20 0 DFADRP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)[C@H]2CCCC[NH+]2C)C1 ZINC000603735448 399800752 /nfs/dbraw/zinc/80/07/52/399800752.db2.gz ATDLAGVCEZRAIT-FGTMMUONSA-N 2 0 321.509 2.584 20 0 DFADRP CN(C(=O)CC[C@@H]([NH3+])CC1CCCCC1)C1CC[NH+](C)CC1 ZINC000424157912 296488822 /nfs/dbraw/zinc/48/88/22/296488822.db2.gz RZEABXMMBBOGLQ-MRXNPFEDSA-N 2 0 309.498 2.617 20 0 DFADRP CN(C(=O)CC[C@@H]([NH3+])CC1CCCCC1)[C@H]1CCC[NH2+]CC1 ZINC000424164127 296489607 /nfs/dbraw/zinc/48/96/07/296489607.db2.gz WKFYMKYSFYVMRG-SJORKVTESA-N 2 0 309.498 2.665 20 0 DFADRP CC(C)n1cncc1C[NH2+]Cc1ccc(C[NH+](C)C)c(F)c1 ZINC000424166738 296489931 /nfs/dbraw/zinc/48/99/31/296489931.db2.gz ZZHVRBOQOMTQPW-UHFFFAOYSA-N 2 0 304.413 2.955 20 0 DFADRP C[C@@H]1CC[NH2+][C@H](C)[C@H]1NC(=O)CC[C@H]([NH3+])CC1CCCCC1 ZINC000424179702 296490875 /nfs/dbraw/zinc/49/08/75/296490875.db2.gz TYAAUTFIVAUIFF-DEICHXMPSA-N 2 0 309.498 2.567 20 0 DFADRP Cc1n[nH]cc1[C@@H](C)[NH2+]Cc1ccccc1OCC[NH+](C)C ZINC000180330693 542784563 /nfs/dbraw/zinc/78/45/63/542784563.db2.gz UCIGLLCBMDABHO-CYBMUJFWSA-N 2 0 302.422 2.509 20 0 DFADRP CCC1([NH+](C)C)CCN(C(=O)Nc2cc(C)cc(C[NH3+])c2)CC1 ZINC000632953063 399807373 /nfs/dbraw/zinc/80/73/73/399807373.db2.gz OZOQPVAROISHDC-UHFFFAOYSA-N 2 0 318.465 2.792 20 0 DFADRP C[NH+]1CCN(CCC[NH2+][C@H](C2CCC2)C2CCCCC2)CC1 ZINC000424255855 296495977 /nfs/dbraw/zinc/49/59/77/296495977.db2.gz IGJKYBBCDQCWFM-IBGZPJMESA-N 2 0 307.526 2.963 20 0 DFADRP C[NH+]1CCN(C(C)(C)C[NH2+]Cc2ccc(F)cc2Cl)CC1 ZINC000225253959 542888053 /nfs/dbraw/zinc/88/80/53/542888053.db2.gz QLNPOJWTKOEAJX-UHFFFAOYSA-N 2 0 313.848 2.595 20 0 DFADRP CC1CC[NH+]([C@@H](CNC(=O)CC(C)(C)[NH3+])c2cccs2)CC1 ZINC000236720221 542896912 /nfs/dbraw/zinc/89/69/12/542896912.db2.gz ZUNWGPJKROXDEF-AWEZNQCLSA-N 2 0 323.506 2.765 20 0 DFADRP CC[NH+](CC)C[C@H]1CCN(C(=O)CC[C@@H]([NH3+])c2ccccc2)C1 ZINC000236902971 542898830 /nfs/dbraw/zinc/89/88/30/542898830.db2.gz KSGBVYSQAWGCSC-SJLPKXTDSA-N 2 0 317.477 2.657 20 0 DFADRP CC[NH+](CC)Cc1ccc(CNC(=O)c2ccc(C[NH3+])o2)cc1 ZINC000236919097 542899603 /nfs/dbraw/zinc/89/96/03/542899603.db2.gz ATFBVOOPGVTHAK-UHFFFAOYSA-N 2 0 315.417 2.510 20 0 DFADRP Cc1cc(NC(=O)CC(C)(C)[NH3+])ccc1OCC[NH+]1CCCC1 ZINC000237744338 542905718 /nfs/dbraw/zinc/90/57/18/542905718.db2.gz XSNFCHZFTPHIGO-UHFFFAOYSA-N 2 0 319.449 2.536 20 0 DFADRP C[C@H]([NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccc([S@@](C)=O)cc1 ZINC000268766993 542959983 /nfs/dbraw/zinc/95/99/83/542959983.db2.gz JTFYFMRKPLXUGH-NHDNYEFZSA-N 2 0 306.475 2.701 20 0 DFADRP C[C@@H]1CCCC[C@H]1C[NH+]1CCC(n2ncc3c2C[NH2+]C3)CC1 ZINC000424380139 296505905 /nfs/dbraw/zinc/50/59/05/296505905.db2.gz PMPHZUKAMKGJKA-CABCVRRESA-N 2 0 302.466 2.950 20 0 DFADRP C[C@H]1CCCC[C@@H]1C[NH+]1CCC(n2ncc3c2C[NH2+]C3)CC1 ZINC000424380142 296505915 /nfs/dbraw/zinc/50/59/15/296505915.db2.gz PMPHZUKAMKGJKA-LSDHHAIUSA-N 2 0 302.466 2.950 20 0 DFADRP Cc1cc(F)ccc1C[NH+]1CCC(n2ncc3c2C[NH2+]C3)CC1 ZINC000424389092 296506524 /nfs/dbraw/zinc/50/65/24/296506524.db2.gz ZYJNLYPGOHKKJB-UHFFFAOYSA-N 2 0 314.408 2.771 20 0 DFADRP C[C@@H]1C[C@H]([NH2+]CCc2cccc(C(F)(F)F)n2)CC[N@@H+]1C ZINC000293768079 543020564 /nfs/dbraw/zinc/02/05/64/543020564.db2.gz RWKKAVCTVJFTMK-DGCLKSJQSA-N 2 0 301.356 2.715 20 0 DFADRP C[NH+]1CCN(CCC[NH2+]Cc2ccc(C3CCC3)cc2)CC1 ZINC000294076808 543022815 /nfs/dbraw/zinc/02/28/15/543022815.db2.gz KZLBFDNMEOAYLG-UHFFFAOYSA-N 2 0 301.478 2.681 20 0 DFADRP Cc1cccc(C)c1OCC[NH+]1CCC(OCCC[NH3+])CC1 ZINC000348749013 285657681 /nfs/dbraw/zinc/65/76/81/285657681.db2.gz MCQPYPLHBRJSSW-UHFFFAOYSA-N 2 0 306.450 2.512 20 0 DFADRP O[C@H]1CCCC[C@@H]1[NH2+]Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000304231479 543049660 /nfs/dbraw/zinc/04/96/60/543049660.db2.gz NUNRHPBMXYFAPV-OALUTQOASA-N 2 0 318.461 2.554 20 0 DFADRP Cc1cc(N2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)c2ccccc2[nH+]1 ZINC000301300332 543046464 /nfs/dbraw/zinc/04/64/64/543046464.db2.gz QTAKYQDKXVCPEM-QGZVFWFLSA-N 2 0 324.472 2.759 20 0 DFADRP c1ccc(C[N@@H+]2C[C@@H]3CC[C@H]([NH2+][C@@H]4CCC[NH2+]CC4)[C@H]3C2)cc1 ZINC000309822541 543065245 /nfs/dbraw/zinc/06/52/45/543065245.db2.gz ZZNRCESRVFVUHT-YRPNKDGESA-N 3 0 313.489 2.629 20 0 DFADRP Cc1nc([C@H](C)[NH2+]C[C@@H](C(C)C)N2CC[NH+](C)CC2)c(C)s1 ZINC000315288749 543071973 /nfs/dbraw/zinc/07/19/73/543071973.db2.gz NMJKVJPNEUSMQV-BBRMVZONSA-N 2 0 324.538 2.683 20 0 DFADRP COc1cc2c(cc1OC)C[N@H+](CCCC1CC[NH2+]CC1)CC2 ZINC000320432860 543082300 /nfs/dbraw/zinc/08/23/00/543082300.db2.gz VEQRTKYIKSEZEA-UHFFFAOYSA-N 2 0 318.461 2.842 20 0 DFADRP Cc1ccc(NC(=O)CN2CCC[C@H]([C@H]3CCC[NH2+]3)C2)cc1F ZINC000321008306 543083844 /nfs/dbraw/zinc/08/38/44/543083844.db2.gz OYIFEIAOXOXQGF-WMLDXEAASA-N 2 0 319.424 2.537 20 0 DFADRP COc1ccc(C[NH+](C)C)cc1NC(=O)C[C@@H](C[NH3+])CC(C)C ZINC000321977570 543087353 /nfs/dbraw/zinc/08/73/53/543087353.db2.gz BXXGYHZAMQQNDQ-HNNXBMFYSA-N 2 0 321.465 2.706 20 0 DFADRP C[C@H]([NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccc(-n2cncn2)cc1 ZINC000339071970 543139303 /nfs/dbraw/zinc/13/93/03/543139303.db2.gz WFNISPQJNPHNNJ-LESCRADOSA-N 2 0 311.433 2.545 20 0 DFADRP COc1ccc(CCC[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)cc1OC ZINC000339069790 543140010 /nfs/dbraw/zinc/14/00/10/543140010.db2.gz LIZDMCSWEQLGCI-IRXDYDNUSA-N 2 0 318.461 2.853 20 0 DFADRP C1C[C@H]2C[C@@H](NC3CC[NH+](C4CCCCC4)CC3)CC[N@@H+]2C1 ZINC000339077048 543140020 /nfs/dbraw/zinc/14/00/20/543140020.db2.gz YORDSKGDZFXTNN-HKUYNNGSSA-N 2 0 305.510 3.000 20 0 DFADRP c1cnn(Cc2ccccc2C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000339066134 543140323 /nfs/dbraw/zinc/14/03/23/543140323.db2.gz CFCKARABVQUEQN-OALUTQOASA-N 2 0 310.445 2.648 20 0 DFADRP COc1ccc(OCCC[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000339074055 543140497 /nfs/dbraw/zinc/14/04/97/543140497.db2.gz IJOPBUUXKSAXEA-CVEARBPZSA-N 2 0 304.434 2.681 20 0 DFADRP C[NH+](C)CCOc1cccc(NC(=O)c2ccc3c[nH+]cn3c2)c1 ZINC000339831139 543148490 /nfs/dbraw/zinc/14/84/90/543148490.db2.gz SWFJVBAHEBBFLV-UHFFFAOYSA-N 2 0 324.384 2.527 20 0 DFADRP CC(C)C([NH2+]CC(=O)NC[C@H](c1ccccc1)[NH+](C)C)C(C)C ZINC000681217195 545612789 /nfs/dbraw/zinc/61/27/89/545612789.db2.gz OOVZQPJNYXBIDV-QGZVFWFLSA-N 2 0 319.493 2.676 20 0 DFADRP CC[NH+](C[C@H]1CCCO1)[C@@H](C)CC[N@@H+](CC)C[C@H]1CCCO1 ZINC000343606528 543168154 /nfs/dbraw/zinc/16/81/54/543168154.db2.gz XLNKJEYRXOCXPH-RCCFBDPRSA-N 2 0 312.498 2.767 20 0 DFADRP C[NH+](C)CCCOc1cnccc1C[NH2+][C@H]1CC[C@@H]1C1CC1 ZINC000343993153 543170234 /nfs/dbraw/zinc/17/02/34/543170234.db2.gz ROIVPGZAQWLEFA-SJORKVTESA-N 2 0 303.450 2.690 20 0 DFADRP CCC[C@H](C)CCC[NH+]1CCC(C(=O)NCC[NH+](C)C)CC1 ZINC000625249688 399867661 /nfs/dbraw/zinc/86/76/61/399867661.db2.gz ZVSBGLRDUCXQMB-INIZCTEOSA-N 2 0 311.514 2.593 20 0 DFADRP CC(C)[C@H]1CC[C@H]1[NH2+]Cc1ccc(C(=O)NCC[NH+](C)C)cc1 ZINC000353628855 543237170 /nfs/dbraw/zinc/23/71/70/543237170.db2.gz CNBYNPOHANALIR-QZTJIDSGSA-N 2 0 317.477 2.502 20 0 DFADRP C[C@H]1CN(C(=O)c2ccc(-c3c[nH]cn3)cc2)CC[N@@H+](C2CC2)C1 ZINC000633241370 399875312 /nfs/dbraw/zinc/87/53/12/399875312.db2.gz KVGPDEFAEAXWFB-CQSZACIVSA-N 2 0 324.428 2.633 20 0 DFADRP C[C@@H]([NH2+]C[C@@H](O)C[NH+]1CCCC1)C1CCC(C(F)(F)F)CC1 ZINC000354205343 543242678 /nfs/dbraw/zinc/24/26/78/543242678.db2.gz AOKIRGGMGQBINU-XSCHDIRWSA-N 2 0 322.415 2.790 20 0 DFADRP COc1cc2c(cc1OC)[C@H]([NH2+]CC1CC[NH+](C)CC1)CC2 ZINC000358761064 543269566 /nfs/dbraw/zinc/26/95/66/543269566.db2.gz WIJLRGVPVUUURJ-MRXNPFEDSA-N 2 0 304.434 2.623 20 0 DFADRP C[C@@H]([NH2+]C[C@H]1CC[N@H+](Cc2ccccc2)C1)C1CC[NH+](C)CC1 ZINC000380953235 543297491 /nfs/dbraw/zinc/29/74/91/543297491.db2.gz SGQYRABOAVXFTM-IEBWSBKVSA-N 3 0 315.505 2.828 20 0 DFADRP C[C@@H]([NH2+]Cc1ccn(Cc2ccccc2)n1)C1CC[NH+](C)CC1 ZINC000389959369 543305138 /nfs/dbraw/zinc/30/51/38/543305138.db2.gz GPMSPQZODVRGSG-MRXNPFEDSA-N 2 0 312.461 2.751 20 0 DFADRP CCC[C@H](C)NC(=O)[C@@H]1CCC[N@H+](CCC[NH+]2CCCCC2)C1 ZINC000125052867 145205775 /nfs/dbraw/zinc/20/57/75/145205775.db2.gz FDKWQEODLBPGFT-ZWKOTPCHSA-N 2 0 323.525 2.879 20 0 DFADRP FC(F)CN1CCC([NH2+]CCCCC[NH+]2CCCCC2)CC1 ZINC000164626937 145224617 /nfs/dbraw/zinc/22/46/17/145224617.db2.gz PQHHPSULNVEXBG-UHFFFAOYSA-N 2 0 317.468 2.962 20 0 DFADRP C[C@H]1C[N@H+](C)CC[C@@H]1[NH2+]CCCCOCCc1ccccc1 ZINC000165244398 145229039 /nfs/dbraw/zinc/22/90/39/145229039.db2.gz BEIFIAOQHFEYFQ-HKUYNNGSSA-N 2 0 304.478 2.956 20 0 DFADRP CC(C)[C@H](O)CC[NH2+][C@H](C)c1ccc(OCC[NH+](C)C)cc1 ZINC000165358835 145229933 /nfs/dbraw/zinc/22/99/33/145229933.db2.gz YONPGNAWZPVPAT-CRAIPNDOSA-N 2 0 308.466 2.685 20 0 DFADRP c1cc(C[N@H+]2CCC[C@@H](CN3CCOCC3)C2)cc2c1CCC2 ZINC000172290910 145298657 /nfs/dbraw/zinc/29/86/57/145298657.db2.gz ZREANNHOEATCKX-SFHVURJKSA-N 2 0 314.473 2.720 20 0 DFADRP CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000172337750 145299024 /nfs/dbraw/zinc/29/90/24/145299024.db2.gz WSJIBPNMFBJJPJ-KRWDZBQOSA-N 2 0 318.465 2.552 20 0 DFADRP CCCC[C@H](CC)CC[N@@H+]1CCC[C@H](n2cc(C[NH3+])nn2)C1 ZINC000415103161 543328655 /nfs/dbraw/zinc/32/86/55/543328655.db2.gz CSLJEWPPRJBKDQ-RDJZCZTQSA-N 2 0 307.486 2.980 20 0 DFADRP CC1(C[NH2+]CC2(N)CC[NH+](Cc3ccccc3)CC2)CCC1 ZINC000415138487 543329270 /nfs/dbraw/zinc/32/92/70/543329270.db2.gz VKXNDSFOSJTQAB-UHFFFAOYSA-N 2 0 301.478 2.760 20 0 DFADRP Cc1[nH+]ccc(N2CCC(CO[C@H]3CC[NH2+]C3)CC2)c1Cl ZINC000630546345 399901181 /nfs/dbraw/zinc/90/11/81/399901181.db2.gz PIRBEGNCXVRHPZ-AWEZNQCLSA-N 2 0 309.841 2.638 20 0 DFADRP CCC[NH+](CCC)CCCC(=O)N(CC)C1CC[NH+](C)CC1 ZINC000627619079 399947757 /nfs/dbraw/zinc/94/77/57/399947757.db2.gz RZOJRQSOOVKGBP-UHFFFAOYSA-N 2 0 311.514 2.831 20 0 DFADRP CC[C@H](C(=O)N1CCC(C)([NH+]2CCCC2)CC1)[NH+](CC)CC ZINC000633944232 399963454 /nfs/dbraw/zinc/96/34/54/399963454.db2.gz NXXNSSGUDACQDQ-MRXNPFEDSA-N 2 0 309.498 2.584 20 0 DFADRP CC(C)[NH+]1CCC(C(=O)N2CCC(C)([NH+]3CCCC3)CC2)CC1 ZINC000633944707 399963660 /nfs/dbraw/zinc/96/36/60/399963660.db2.gz XLQWOZZWHDBXEH-UHFFFAOYSA-N 2 0 321.509 2.584 20 0 DFADRP COc1ccccc1N1CCC([NH2+]CC(C)(C)C[NH+](C)C)CC1 ZINC000631030531 399965449 /nfs/dbraw/zinc/96/54/49/399965449.db2.gz UKZREYHDQQKOSC-UHFFFAOYSA-N 2 0 319.493 2.841 20 0 DFADRP CCC(C)(C)[NH2+][C@@H](C)C(=O)N1CCC(C)([NH+]2CCCC2)CC1 ZINC000633966227 399967452 /nfs/dbraw/zinc/96/74/52/399967452.db2.gz XLYHSUMZBRYHBM-HNNXBMFYSA-N 2 0 309.498 2.630 20 0 DFADRP Cc1cc(C)c(/C=C\C[NH2+]C[C@@H](C)N2CC[NH+](C)CC2)c(C)c1 ZINC000631065416 399973017 /nfs/dbraw/zinc/97/30/17/399973017.db2.gz RPRLZWWRXREOCD-LIXSYLKWSA-N 2 0 315.505 2.851 20 0 DFADRP Cc1scc(C[NH2+][C@@H]2CCN(C3CC[NH+](C)CC3)C2)c1C ZINC000631070452 399974057 /nfs/dbraw/zinc/97/40/57/399974057.db2.gz ZCIKQXFGAJOFFD-MRXNPFEDSA-N 2 0 307.507 2.623 20 0 DFADRP CC[C@@H]1[C@@H](C(=O)NCCCC[NH+]2C[C@@H](C)C[C@H](C)C2)CC[N@@H+]1C ZINC000630749391 399924539 /nfs/dbraw/zinc/92/45/39/399924539.db2.gz GTVAYJABMQZTMV-XLAORIBOSA-N 2 0 323.525 2.591 20 0 DFADRP CCC(C)(C)[NH2+][C@H](C)C(=O)NC[C@@H]1CC[N@@H+]1C1CCCCC1 ZINC000628544332 400039540 /nfs/dbraw/zinc/03/95/40/400039540.db2.gz DLXBOLRBHRAUMO-ZBFHGGJFSA-N 2 0 309.498 2.676 20 0 DFADRP c1cc(C[NH2+]CC2CC[NH+](C3CC3)CC2)n(CC2CCC2)n1 ZINC000631119666 399984224 /nfs/dbraw/zinc/98/42/24/399984224.db2.gz DGYKZDUZTKROCU-UHFFFAOYSA-N 2 0 302.466 2.647 20 0 DFADRP COc1ccccc1N1CCC([NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)CC1 ZINC000631169470 399994930 /nfs/dbraw/zinc/99/49/30/399994930.db2.gz RZWTUIGFSMDOBT-WOVMCDHWSA-N 2 0 317.477 2.594 20 0 DFADRP CC[NH+]1CCN([C@@H](C)C[NH2+]C[C@H](C)c2ccc(C)cc2)CC1 ZINC000628202420 400000494 /nfs/dbraw/zinc/00/04/94/400000494.db2.gz SXRQJWXJXKNXSC-ROUUACIJSA-N 2 0 303.494 2.714 20 0 DFADRP Cc1ccc([C@H](C)C[NH2+]C[C@@H](C(C)C)N2CC[NH+](C)CC2)cc1 ZINC000628201508 400000576 /nfs/dbraw/zinc/00/05/76/400000576.db2.gz IJUJVLRJGKFNEZ-QUCCMNQESA-N 2 0 317.521 2.960 20 0 DFADRP C[C@@H]1C[C@H]([NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)[C@@H](C)O1 ZINC000631195707 400000846 /nfs/dbraw/zinc/00/08/46/400000846.db2.gz ZXMPXWDZNOOJRZ-SGFSRKTBSA-N 2 0 302.462 2.910 20 0 DFADRP C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1C[NH2+][C@@H]1CCO[C@H](C)C1 ZINC000631196651 400001536 /nfs/dbraw/zinc/00/15/36/400001536.db2.gz UYVNFXYFFKXYJD-QFHJOOASSA-N 2 0 302.462 2.912 20 0 DFADRP Cc1c(C[NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)cnn1C ZINC000631196189 400001630 /nfs/dbraw/zinc/00/16/30/400001630.db2.gz OHYXLRCQMHCIHM-KXBFYZLASA-N 2 0 312.461 2.586 20 0 DFADRP Cc1ccc([C@H](C)C[NH2+][C@@H]2CCN(C3CC[NH+](C)CC3)C2)cc1 ZINC000628214881 400002997 /nfs/dbraw/zinc/00/29/97/400002997.db2.gz QIYPKZNECNFXPH-IEBWSBKVSA-N 2 0 315.505 2.857 20 0 DFADRP Cc1ccc([C@H](C)C[NH2+]CCCC[N@@H+]2CCC[C@@H]2CO)cc1 ZINC000628217295 400003550 /nfs/dbraw/zinc/00/35/50/400003550.db2.gz ROTHRRWALQOLBN-IEBWSBKVSA-N 2 0 304.478 2.925 20 0 DFADRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@@H]1CCc2cc(OC)ccc21 ZINC000631586805 400055182 /nfs/dbraw/zinc/05/51/82/400055182.db2.gz JTSBJZIADNRSRZ-SJLPKXTDSA-N 2 0 306.450 2.629 20 0 DFADRP CC[NH+]1CCC(NC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)CC1 ZINC000631667160 400064410 /nfs/dbraw/zinc/06/44/10/400064410.db2.gz LQBNNVGIFBKRPB-HKUYNNGSSA-N 2 0 315.505 2.828 20 0 DFADRP C[N@H+](CCC(=O)NC[C@@H]1CC[NH+]1C1CCCC1)C1CCCCC1 ZINC000628965034 400066732 /nfs/dbraw/zinc/06/67/32/400066732.db2.gz SZLDKRJTMKIYNZ-SFHVURJKSA-N 2 0 321.509 2.774 20 0 DFADRP O[C@H]1CCC[C@@H]1[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000631742244 400071396 /nfs/dbraw/zinc/07/13/96/400071396.db2.gz OCDGRTRNVXDJQR-OYSTVDSJSA-N 2 0 300.446 2.685 20 0 DFADRP Cc1cc(C)c(C[N@@H+]2CCC[C@H]([C@H]3C[C@@H]([NH3+])CCO3)C2)c(C)n1 ZINC000631829550 400078104 /nfs/dbraw/zinc/07/81/04/400078104.db2.gz UBAHQPOUWMFEOO-JENIJYKNSA-N 2 0 317.477 2.725 20 0 DFADRP Cc1cc(C)c(C[NH+]2CCC([C@@H]3OCCC[C@@H]3[NH3+])CC2)c(C)n1 ZINC000631828322 400078106 /nfs/dbraw/zinc/07/81/06/400078106.db2.gz LPULEUUONVSMSC-OALUTQOASA-N 2 0 317.477 2.725 20 0 DFADRP C[C@H]([NH2+]CCOCC[NH+](C)C)c1ccccc1OC(F)F ZINC000219317570 146000521 /nfs/dbraw/zinc/00/05/21/146000521.db2.gz KRFFZJGYSBHKOH-LBPRGKRZSA-N 2 0 302.365 2.517 20 0 DFADRP CC(C)[C@@H](C[NH3+])C(=O)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000236676045 146023499 /nfs/dbraw/zinc/02/34/99/146023499.db2.gz JGIUYIXCXRWWMO-GOSISDBHSA-N 2 0 317.477 2.520 20 0 DFADRP CC[NH+](CC)[C@H](CNC(=O)[C@]1(C)CCCC[NH2+]1)c1ccsc1 ZINC000236886762 146031415 /nfs/dbraw/zinc/03/14/15/146031415.db2.gz DCFKCTBMTBIKIS-WBVHZDCISA-N 2 0 323.506 2.779 20 0 DFADRP C[C@@H](CCNC(=O)[C@]1(C)CCCC[NH2+]1)[N@H+](C)Cc1ccccc1 ZINC000237562854 146046382 /nfs/dbraw/zinc/04/63/82/146046382.db2.gz QTRLXFDEVLUOJD-LPHOPBHVSA-N 2 0 317.477 2.545 20 0 DFADRP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CC[NH+](C[C@@H]2CC=CCC2)CC1 ZINC000245566412 146083320 /nfs/dbraw/zinc/08/33/20/146083320.db2.gz SOBHSGHIFPYWDN-GUDVDZBRSA-N 2 0 305.510 2.833 20 0 DFADRP CCC[N@H+](C)C[C@H]1CCN(c2nc3cccc(F)c3n2C)C1 ZINC000443510181 543358035 /nfs/dbraw/zinc/35/80/35/543358035.db2.gz OYJBVTSOAHWLFW-CYBMUJFWSA-N 2 0 304.413 2.881 20 0 DFADRP C[C@@H]1C[C@H]([NH2+]C[C@H](c2ccccc2)C(C)(C)CO)CC[N@@H+]1C ZINC000246266520 146135341 /nfs/dbraw/zinc/13/53/41/146135341.db2.gz AFKIHRLDPSCWNF-KBAYOESNSA-N 2 0 304.478 2.861 20 0 DFADRP CC[N@@H+]1CC[C@@H]([NH2+]C2CCN(c3ccccc3)CC2)[C@@H](C)C1 ZINC000247110149 146162608 /nfs/dbraw/zinc/16/26/08/146162608.db2.gz QLGZXKRCFKXCJD-QFBILLFUSA-N 2 0 301.478 2.975 20 0 DFADRP O[C@@H]1CC[C@H](C[NH2+][C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]23)C1 ZINC000249038460 146184832 /nfs/dbraw/zinc/18/48/32/146184832.db2.gz GKESKQXWQQGAHL-OMQSBVIBSA-N 2 0 314.473 2.648 20 0 DFADRP C[C@@H]1C[C@@H](NC[C@H]2CC[NH+](Cc3ccccc3)C2)CC[N@@H+]1C ZINC000249158051 146190290 /nfs/dbraw/zinc/19/02/90/146190290.db2.gz XQICSZKVXIJUAK-QRQLOZEOSA-N 2 0 301.478 2.581 20 0 DFADRP CCN(C[C@H]1CCC[NH2+]C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000261556874 146240931 /nfs/dbraw/zinc/24/09/31/146240931.db2.gz WKXSYEJVGDTXQD-RBUKOAKNSA-N 2 0 301.478 2.582 20 0 DFADRP C[C@@H](C(=O)Nc1cccc2ccccc21)N1CC[C@@](C)(C[NH3+])C1 ZINC000261637213 146250727 /nfs/dbraw/zinc/25/07/27/146250727.db2.gz FZGRXHCXXNLYQF-LIRRHRJNSA-N 2 0 311.429 2.838 20 0 DFADRP COc1cc(C)c(CN2CCC([NH2+]CC3CC3)CC2)cc1OC ZINC000261676571 146258708 /nfs/dbraw/zinc/25/87/08/146258708.db2.gz HPLOXGXADYWANM-UHFFFAOYSA-N 2 0 318.461 2.976 20 0 DFADRP C[NH2+][C@H](C)Cc1noc(-c2ccc(C[NH+]3CCCCC3)cc2)n1 ZINC000261694728 146260529 /nfs/dbraw/zinc/26/05/29/146260529.db2.gz HSHWKBUEOBADKT-CQSZACIVSA-N 2 0 314.433 2.873 20 0 DFADRP CC(C)(C)[C@H](NC(=O)CN1CC[C@@](C)(C[NH3+])C1)c1cccs1 ZINC000261698939 146262278 /nfs/dbraw/zinc/26/22/78/146262278.db2.gz HZMKVRQWMXOXNU-WBVHZDCISA-N 2 0 323.506 2.622 20 0 DFADRP [NH3+][C@@H]1CC[C@H]2C[N@H+](Cc3ccc(OC(F)(F)F)cc3)C[C@@H]12 ZINC000261716340 146264758 /nfs/dbraw/zinc/26/47/58/146264758.db2.gz PPEGQQJAQXDAFX-IACUBPJLSA-N 2 0 300.324 2.754 20 0 DFADRP CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C[C@]1(C)CC[NH2+]C1 ZINC000261736428 146267911 /nfs/dbraw/zinc/26/79/11/146267911.db2.gz HVKNYNMYGOICDP-WOJBJXKFSA-N 2 0 315.505 2.830 20 0 DFADRP CC(C)(C)c1ccc(C[N@@H+]2CC[C@@H](N3CC[NH2+]CC3)C2)s1 ZINC000261731760 146268037 /nfs/dbraw/zinc/26/80/37/146268037.db2.gz RIDUFKZXSRFJPE-CQSZACIVSA-N 2 0 307.507 2.525 20 0 DFADRP CC[NH+](CC)Cc1cccc(NC(=O)c2ccnc(C[NH3+])c2)c1 ZINC000261742310 146269388 /nfs/dbraw/zinc/26/93/88/146269388.db2.gz OASKYEXPCLUGPB-UHFFFAOYSA-N 2 0 312.417 2.634 20 0 DFADRP C[NH2+]CCC1CC[NH+](Cc2c[nH]nc2-c2ccsc2)CC1 ZINC000261751364 146270318 /nfs/dbraw/zinc/27/03/18/146270318.db2.gz CDZVKLHSJCWVDB-UHFFFAOYSA-N 2 0 304.463 2.960 20 0 DFADRP C[C@@H](C(=O)N(CC[NH+](C)C)C1CCCC1)[C@H]([NH3+])c1ccccc1 ZINC000261754773 146270452 /nfs/dbraw/zinc/27/04/52/146270452.db2.gz PJQZZAPSAGGRLG-QAPCUYQASA-N 2 0 317.477 2.655 20 0 DFADRP C[C@H]1C[C@@H](c2nc(-c3ccc(C[NH+](C)C)cc3)no2)CC[NH2+]1 ZINC000261793781 146277558 /nfs/dbraw/zinc/27/75/58/146277558.db2.gz ORNYCAMNANNWRC-WFASDCNBSA-N 2 0 300.406 2.654 20 0 DFADRP C[C@H]([NH3+])CC(=O)NCc1ccccc1C[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000261814181 146281536 /nfs/dbraw/zinc/28/15/36/146281536.db2.gz MALSKJNQHAACDZ-JYJNAYRXSA-N 2 0 317.477 2.518 20 0 DFADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]C[C@@H]1CCN(CC(F)(F)F)C1 ZINC000261813567 146281888 /nfs/dbraw/zinc/28/18/88/146281888.db2.gz AEAZWKUWRSAYOG-ILXRZTDVSA-N 2 0 321.431 2.771 20 0 DFADRP COCc1cccc(OCC2(CN3CCC[C@H]3C[NH3+])CCC2)c1 ZINC000261827886 146284396 /nfs/dbraw/zinc/28/43/96/146284396.db2.gz ADCZJMSKYPETQX-KRWDZBQOSA-N 2 0 318.461 2.805 20 0 DFADRP Cc1cc(C)c(NC(=O)C[N@@H+]2CCC[C@H](CC[NH3+])C2)c(C)c1 ZINC000261844392 146287239 /nfs/dbraw/zinc/28/72/39/146287239.db2.gz CXEARRLJIGQVAC-MRXNPFEDSA-N 2 0 303.450 2.611 20 0 DFADRP C[C@]1(C[NH+]2CCC([C@@H](O)c3ccc(F)cc3)CC2)CC[NH2+]C1 ZINC000261871925 146292231 /nfs/dbraw/zinc/29/22/31/146292231.db2.gz PAAQYJXEZUCUBO-ROUUACIJSA-N 2 0 306.425 2.571 20 0 DFADRP Clc1ccc2ncc(C[N@@H+]3CCC4(C3)CC[NH2+]CC4)n2c1 ZINC000261938825 146305580 /nfs/dbraw/zinc/30/55/80/146305580.db2.gz DMQMOIMQVRSJOI-UHFFFAOYSA-N 2 0 304.825 2.563 20 0 DFADRP C[NH2+]C[C@H]1CCCN(Cc2cc(=O)oc3cc(C)ccc23)C1 ZINC000261940277 146306258 /nfs/dbraw/zinc/30/62/58/146306258.db2.gz LFUKHOHRXKWUHO-CQSZACIVSA-N 2 0 300.402 2.533 20 0 DFADRP C[NH2+]C[C@H]1CCCN(Cc2cc(C(=O)OC)ccc2Cl)C1 ZINC000261942983 146307028 /nfs/dbraw/zinc/30/70/28/146307028.db2.gz MZLACWPLOKQUGW-GFCCVEGCSA-N 2 0 310.825 2.558 20 0 DFADRP C[C@H]([NH3+])C1CC[NH+](Cc2cnn(Cc3ccc(F)cc3)c2)CC1 ZINC000261989879 146316821 /nfs/dbraw/zinc/31/68/21/146316821.db2.gz SFNRELSWPWKZFX-AWEZNQCLSA-N 2 0 316.424 2.630 20 0 DFADRP C[NH2+]CCC1CC[NH+]([C@H](C)C(=O)N[C@@H](C)c2ccccc2)CC1 ZINC000261985463 146317704 /nfs/dbraw/zinc/31/77/04/146317704.db2.gz JTUKNINUCCRPBH-JKSUJKDBSA-N 2 0 317.477 2.574 20 0 DFADRP CCN(C)c1ccc(C[NH+]2CCC([C@@H]3CCC[NH2+]3)CC2)cn1 ZINC000261999405 146318762 /nfs/dbraw/zinc/31/87/62/146318762.db2.gz TYLPKAOOJHWYJP-KRWDZBQOSA-N 2 0 302.466 2.502 20 0 DFADRP FC(F)(F)c1cc([C@@H]2CCC[N@H+](C[C@@H]3CCC[NH2+]C3)C2)[nH]n1 ZINC000262000939 146320479 /nfs/dbraw/zinc/32/04/79/146320479.db2.gz UCRYZIFJZFWYDD-VXGBXAGGSA-N 2 0 316.371 2.608 20 0 DFADRP C[NH2+]CCC1CC[NH+](Cc2cc(OC)c(OC)cc2C)CC1 ZINC000262015684 146322157 /nfs/dbraw/zinc/32/21/57/146322157.db2.gz WYBFLWBFXGXIMC-UHFFFAOYSA-N 2 0 306.450 2.834 20 0 DFADRP C[C@@H]1CN(Cc2ccccc2)[C@@H](C)C[N@@H+]1CC1CC[NH2+]CC1 ZINC000262014956 146322302 /nfs/dbraw/zinc/32/23/02/146322302.db2.gz VPRKJQXDSGLVAM-DLBZAZTESA-N 2 0 301.478 2.581 20 0 DFADRP CCC[N@H+](Cc1ccc2c(c1)sc(=O)n2C)C1CC[NH2+]CC1 ZINC000262020238 146323790 /nfs/dbraw/zinc/32/37/90/146323790.db2.gz WAVBZHCJGGXHKF-UHFFFAOYSA-N 2 0 319.474 2.564 20 0 DFADRP Cc1ccc(C[N@@H+]2CCC[C@H](CC[NH3+])C2)c(-c2ccnn2C)c1 ZINC000262037059 146325796 /nfs/dbraw/zinc/32/57/96/146325796.db2.gz XVCAXRHXGRHREN-MRXNPFEDSA-N 2 0 312.461 2.956 20 0 DFADRP C[C@@H]([NH3+])[C@@H]1CCCCN1Cc1ccc(-c2cnn(C)c2)s1 ZINC000262039812 146326350 /nfs/dbraw/zinc/32/63/50/146326350.db2.gz PARAATJXARVQFW-DOMZBBRYSA-N 2 0 304.463 2.850 20 0 DFADRP CCC[C@@](C)([NH3+])C(=O)N1CCC[N@H+](CC2CCCCC2)CC1 ZINC000262095158 146333412 /nfs/dbraw/zinc/33/34/12/146333412.db2.gz BHCGPSPJMLXYTM-GOSISDBHSA-N 2 0 309.498 2.619 20 0 DFADRP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](CCC(=O)Nc3ccccc3Cl)C[C@H]21 ZINC000262099672 146333588 /nfs/dbraw/zinc/33/35/88/146333588.db2.gz ISSDVUPJBCMQMZ-UMVBOHGHSA-N 2 0 321.852 2.728 20 0 DFADRP Cc1ccc(C(=O)C2CC[NH+](CC3CC[NH2+]CC3)CC2)cc1 ZINC000262218889 146343712 /nfs/dbraw/zinc/34/37/12/146343712.db2.gz MJORLGVYGPYLGB-UHFFFAOYSA-N 2 0 300.446 2.889 20 0 DFADRP C[C@@H](C(=O)Nc1ccc(C[N@@H+]2CCCC[C@H]2C)cc1)C1C[NH2+]C1 ZINC000262339775 146352642 /nfs/dbraw/zinc/35/26/42/146352642.db2.gz HTACOVOZXIGRFH-HUUCEWRRSA-N 2 0 315.461 2.855 20 0 DFADRP [NH3+][C@@H]1CCC[C@H]2C[N@H+](CCC(=O)Nc3cccc(Cl)c3)C[C@@H]21 ZINC000262344636 146352662 /nfs/dbraw/zinc/35/26/62/146352662.db2.gz UPQNJXWBOZWNJV-VBNZEHGJSA-N 2 0 321.852 2.728 20 0 DFADRP C[C@@H](C(=O)Nc1ccc(C[NH+]2CCC(C)CC2)cc1)C1C[NH2+]C1 ZINC000262380486 146355557 /nfs/dbraw/zinc/35/55/57/146355557.db2.gz MUWNPGZKVOBNHY-OAHLLOKOSA-N 2 0 315.461 2.713 20 0 DFADRP Cc1cccc(N2CC[NH+](C[C@@H]3CC[NH2+][C@H](C)C3)CC2)c1C ZINC000262413991 146358114 /nfs/dbraw/zinc/35/81/14/146358114.db2.gz DJSTZOXHLJFFBD-SJLPKXTDSA-N 2 0 301.478 2.814 20 0 DFADRP COc1ccc(C[N@H+](C)[C@@H]2CCC[NH2+]CC2)cc1OC(F)F ZINC000262422545 146358586 /nfs/dbraw/zinc/35/85/86/146358586.db2.gz FCXJAEQKZCACOI-CYBMUJFWSA-N 2 0 314.376 2.871 20 0 DFADRP C[C@H](C(=O)Nc1cccc(Cl)c1)[NH+]1CCC(C[NH+](C)C)CC1 ZINC000354420709 147030318 /nfs/dbraw/zinc/03/03/18/147030318.db2.gz ZMFRUHJNSUZXBN-CYBMUJFWSA-N 2 0 323.868 2.941 20 0 DFADRP COC(=O)C(C)(C)CC[NH2+]Cc1ccc(F)c(C[NH+](C)C)c1 ZINC000354515542 147064118 /nfs/dbraw/zinc/06/41/18/147064118.db2.gz TVMFMFVJIOQTEZ-UHFFFAOYSA-N 2 0 310.413 2.566 20 0 DFADRP CC(C)[C@H](C(=O)NC[C@H]1CCC[N@@H+](C(C)C)C1)[NH+]1CCCCC1 ZINC000354809736 147159559 /nfs/dbraw/zinc/15/95/59/147159559.db2.gz IVSZEMXJSAKLOV-QZTJIDSGSA-N 2 0 323.525 2.734 20 0 DFADRP C[NH+](C)CCOc1ccc(CC[NH2+][C@@H]2CC[C@H]2C2CC2)cc1 ZINC000516673029 543424248 /nfs/dbraw/zinc/42/42/48/543424248.db2.gz IBWXOBVZHAUXEL-RBUKOAKNSA-N 2 0 302.462 2.948 20 0 DFADRP C[C@H](O)CCC[N@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000355318657 147262071 /nfs/dbraw/zinc/26/20/71/147262071.db2.gz QMNUARZCBJHISG-INIZCTEOSA-N 2 0 305.466 2.781 20 0 DFADRP COCC(C)(C)C[NH+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000355324699 147265426 /nfs/dbraw/zinc/26/54/26/147265426.db2.gz YCNCNXWXBGUKOI-QZTJIDSGSA-N 2 0 302.462 2.723 20 0 DFADRP CC[NH+](CC)CCN(CC(C)C)C(=O)C[NH+]1[C@@H](C)CC[C@@H]1C ZINC000355408922 147303436 /nfs/dbraw/zinc/30/34/36/147303436.db2.gz LARGOHQDHVAGMC-IRXDYDNUSA-N 2 0 311.514 2.686 20 0 DFADRP CCC(C)(C)[NH2+][C@@H](C)C(=O)NCCC[N@H+](C)C1CCCCC1 ZINC000355411817 147305855 /nfs/dbraw/zinc/30/58/55/147305855.db2.gz KHTQEGMJHNJUQT-HNNXBMFYSA-N 2 0 311.514 2.924 20 0 DFADRP CCC[C@@H]([NH2+]C(C)C)C(=O)NCc1ccc(C[NH+](C)C)c(F)c1 ZINC000355548642 147359827 /nfs/dbraw/zinc/35/98/27/147359827.db2.gz FKELXXDCVDDCNU-QGZVFWFLSA-N 2 0 323.456 2.670 20 0 DFADRP C[C@H]([NH2+]Cc1ccc(OCCC[NH+](C)C)cc1)[C@H]1CCCOC1 ZINC000355774606 147444373 /nfs/dbraw/zinc/44/43/73/147444373.db2.gz OOKCNFCPGCZPGW-WMZOPIPTSA-N 2 0 320.477 2.922 20 0 DFADRP COc1cc2c(c(C[NH2+]CC3(C)CC[NH+](C)CC3)c1)O[C@@H](C)C2 ZINC000355780405 147447542 /nfs/dbraw/zinc/44/75/42/147447542.db2.gz WCKSMDPLQPSVCX-AWEZNQCLSA-N 2 0 318.461 2.840 20 0 DFADRP CCc1cccnc1[C@H](C)[NH2+]C[C@@H](C)CN1CC[NH+](CC)CC1 ZINC000356908432 147847905 /nfs/dbraw/zinc/84/79/05/147847905.db2.gz XPGHKGGPJJSYDY-SJORKVTESA-N 2 0 318.509 2.568 20 0 DFADRP c1cn(-c2ccc(C[NH+]3CCC([C@@H]4CC[NH2+]C4)CC3)cc2)cn1 ZINC000357089395 147857390 /nfs/dbraw/zinc/85/73/90/147857390.db2.gz UBUZDXZTFVPYLV-GOSISDBHSA-N 2 0 310.445 2.694 20 0 DFADRP Cc1nn(-c2ccccc2)cc1C[NH+]1CCC(C[NH+](C)C)CC1 ZINC000350144995 286010634 /nfs/dbraw/zinc/01/06/34/286010634.db2.gz GNPFZFNQXSWHLH-UHFFFAOYSA-N 2 0 312.461 2.954 20 0 DFADRP C[NH+](C)CC1CC[NH+](Cc2cnc(-c3ccccn3)s2)CC1 ZINC000350176636 286015229 /nfs/dbraw/zinc/01/52/29/286015229.db2.gz NHLSZLYZGJBGMF-UHFFFAOYSA-N 2 0 316.474 2.979 20 0 DFADRP CC[NH+](CC)CCO[C@@H]1CC[N@H+](CCc2ccc(C)cc2)C1 ZINC000350180724 286015922 /nfs/dbraw/zinc/01/59/22/286015922.db2.gz HILICBHDSACABT-LJQANCHMSA-N 2 0 304.478 2.970 20 0 DFADRP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]CCc1coc(-c2ccc(F)cc2)n1 ZINC000357788816 148122707 /nfs/dbraw/zinc/12/27/07/148122707.db2.gz DBNVKSQLODAJSZ-CXAGYDPISA-N 2 0 317.408 2.953 20 0 DFADRP C[C@@H](C(=O)N1CC[NH+](CCC(C)(C)C)CC1)[NH+]1CCCCCC1 ZINC000357824761 148138415 /nfs/dbraw/zinc/13/84/15/148138415.db2.gz JZIAGWPFVGFEFY-KRWDZBQOSA-N 2 0 323.525 2.831 20 0 DFADRP Cc1cccc(CCC[NH2+]Cc2cc(C3CC[NH2+]CC3)no2)n1 ZINC000425896020 296603216 /nfs/dbraw/zinc/60/32/16/296603216.db2.gz MOZUQSBZFIQFBK-UHFFFAOYSA-N 2 0 314.433 2.567 20 0 DFADRP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]CCc1nc(-c2ccncc2)cs1 ZINC000358061534 148229254 /nfs/dbraw/zinc/22/92/54/148229254.db2.gz LZOWZWDPWWELNX-UKRRQHHQSA-N 2 0 316.474 2.677 20 0 DFADRP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]CCc1cc(Cl)c2c(c1)OCCO2 ZINC000358080284 148236048 /nfs/dbraw/zinc/23/60/48/148236048.db2.gz GEEGWILKEZDABX-IUODEOHRSA-N 2 0 324.852 2.584 20 0 DFADRP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(OC[C@@H]3CCCO3)cc2)CC[N@@H+]1C ZINC000358104805 148246409 /nfs/dbraw/zinc/24/64/09/148246409.db2.gz YYIKXNQIFMTOQE-AYBZRNKSSA-N 2 0 318.461 2.817 20 0 DFADRP C[C@H]1C[N@H+](C)CC[C@@H]1[NH2+]CCc1nc2ccccc2n1C(F)F ZINC000358168963 148268031 /nfs/dbraw/zinc/26/80/31/148268031.db2.gz OLPBYULNXZBRGM-STQMWFEESA-N 2 0 322.403 2.904 20 0 DFADRP Cc1[nH+]ccc(NC2CC[NH+](Cc3ccccn3)CC2)c1Cl ZINC000350344506 286030558 /nfs/dbraw/zinc/03/05/58/286030558.db2.gz ZOKLACOOLIDBGO-UHFFFAOYSA-N 2 0 316.836 2.937 20 0 DFADRP Cc1cnc(CC[NH2+]C2CC[NH+]([C@H]3CCC[C@H](C)C3)CC2)nc1 ZINC000358357725 148339549 /nfs/dbraw/zinc/33/95/49/148339549.db2.gz RDWKDIUEXKZVGE-YJBOKZPZSA-N 2 0 316.493 2.960 20 0 DFADRP CCC[N@H+](C)CC(=O)NC[C@@H](c1ccccc1)[NH+](CC)CC ZINC000358569317 148388231 /nfs/dbraw/zinc/38/82/31/148388231.db2.gz VPGZMJBGSUNYDA-KRWDZBQOSA-N 2 0 305.466 2.528 20 0 DFADRP CC[N@@H+](Cc1ccccc1N1CC[NH+](CC)CC1)C[C@H](C)OC ZINC000361018333 149008572 /nfs/dbraw/zinc/00/85/72/149008572.db2.gz RWHUFMLOFCPWBP-KRWDZBQOSA-N 2 0 319.493 2.685 20 0 DFADRP CCN(Cc1nc2c(s1)C[N@@H+](C(C)C)CC2)C[C@H](C)OC ZINC000361022157 149010091 /nfs/dbraw/zinc/01/00/91/149010091.db2.gz KCJYWRWSZBNQRI-ZDUSSCGKSA-N 2 0 311.495 2.766 20 0 DFADRP C[C@@H]1CN(Cc2ccccc2)CC[C@H]1[NH2+][C@H]1CCN(C2CC2)C1 ZINC000361070253 149022134 /nfs/dbraw/zinc/02/21/34/149022134.db2.gz UPGGYLPDUSOYHY-IMFGXOCKSA-N 2 0 313.489 2.723 20 0 DFADRP C[C@@H]([NH2+][C@H]1CCN(C2CC2)C1)c1cccc(OCC[NH+](C)C)c1 ZINC000361075565 149023054 /nfs/dbraw/zinc/02/30/54/149023054.db2.gz HJKMDUJVOSWSLY-WBVHZDCISA-N 3 0 317.477 2.514 20 0 DFADRP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@@H+]2CCCc1ccsc1 ZINC000361084881 149025310 /nfs/dbraw/zinc/02/53/10/149025310.db2.gz BVTBYMQHJVOYSS-IKGGRYGDSA-N 2 0 308.491 2.864 20 0 DFADRP C[NH+](C)C1(CNC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)CCCC1 ZINC000361541330 149142096 /nfs/dbraw/zinc/14/20/96/149142096.db2.gz OGHAFOWZSNRYMM-INIZCTEOSA-N 2 0 321.509 2.632 20 0 DFADRP C[NH+](C)Cc1ccc(-c2noc([C@@H](C[NH3+])c3ccccc3)n2)cc1 ZINC000350781508 286087256 /nfs/dbraw/zinc/08/72/56/286087256.db2.gz GIDMUMDRRZTSBM-KRWDZBQOSA-N 2 0 322.412 2.889 20 0 DFADRP Cc1nn(C(C)C)cc1C[NH2+]CCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000361887211 149246414 /nfs/dbraw/zinc/24/64/14/149246414.db2.gz CUKNFTYJIMMOEH-IYBDPMFKSA-N 2 0 322.497 2.751 20 0 DFADRP CC[C@@H]([NH2+]CC1(O)CC[NH+](C)CC1)c1ccc(Cl)s1 ZINC000361889450 149247942 /nfs/dbraw/zinc/24/79/42/149247942.db2.gz PZKPFHVLTLVLQX-LLVKDONJSA-N 2 0 302.871 2.899 20 0 DFADRP COCCC[NH+]1CCC([NH2+][C@@H]2CCC[C@H]([C@@H]3CCOC3)C2)CC1 ZINC000361893359 149248922 /nfs/dbraw/zinc/24/89/22/149248922.db2.gz JCOPVSKQWHBRBX-YQVWRLOYSA-N 2 0 324.509 2.672 20 0 DFADRP C[C@@H]1CN(C)C[C@@H]1[NH2+][C@H]1[C@H](C)C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000361970013 149267647 /nfs/dbraw/zinc/26/76/47/149267647.db2.gz FEASUMZQBDYZOG-JOMPHRNESA-N 2 0 315.505 2.683 20 0 DFADRP Cc1cc(C)n(-c2ccc(C[N@@H+]3C[C@@H]4CC[C@@H]([NH3+])[C@H]4C3)cc2)n1 ZINC000351479513 286130714 /nfs/dbraw/zinc/13/07/14/286130714.db2.gz RIZIOUGDKFODCM-YTQUADARSA-N 2 0 310.445 2.658 20 0 DFADRP CC(=O)c1c(C)cc(C)c(C[N@@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)c1C ZINC000351492453 286134665 /nfs/dbraw/zinc/13/46/65/286134665.db2.gz LHOZRLHJRQKITR-RYQLBKOJSA-N 2 0 300.446 2.984 20 0 DFADRP C[C@@H](c1ccccc1)[N@@H+]1CCC[C@@H](CN2CC[NH+](C)CC2)C1 ZINC000371265710 150012396 /nfs/dbraw/zinc/01/23/96/150012396.db2.gz DJSIHCPWDBPTPW-ROUUACIJSA-N 2 0 301.478 2.707 20 0 DFADRP Cc1ccc(CC[N@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@H]32)cc1 ZINC000371295590 150017348 /nfs/dbraw/zinc/01/73/48/150017348.db2.gz SRRJBLBZCWWKMD-GUDVDZBRSA-N 2 0 302.462 2.721 20 0 DFADRP Cc1ccccc1OCC[N@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@@H]21 ZINC000371295684 150017702 /nfs/dbraw/zinc/01/77/02/150017702.db2.gz UHWSJEPUDPKHRE-ZIFCJYIRSA-N 2 0 318.461 2.557 20 0 DFADRP Cc1cc(C[N@H+]2CCCN(Cc3nccn3C)CC2)ccc1F ZINC000371379454 150034873 /nfs/dbraw/zinc/03/48/73/150034873.db2.gz NPCYXSGQTVBAFV-UHFFFAOYSA-N 2 0 316.424 2.576 20 0 DFADRP COc1cc(CN2C[C@@H]3C[N@@H+]4CCCC[C@H]4[C@H]3C2)cc(OC)c1 ZINC000371403570 150040236 /nfs/dbraw/zinc/04/02/36/150040236.db2.gz UPWMQQMWAYTTLS-MNEFBYGVSA-N 2 0 316.445 2.620 20 0 DFADRP c1[nH]c(-c2ccccc2)nc1CN1C[C@@H]2C[N@@H+]3CCCC[C@H]3[C@H]2C1 ZINC000371402792 150040590 /nfs/dbraw/zinc/04/05/90/150040590.db2.gz BQMWAMKGOBUAKB-NEWSRXKRSA-N 2 0 322.456 2.993 20 0 DFADRP C[C@@H]1C[C@H](N[C@H]2c3ccccc3CC[C@@H]2[NH+](C)C)CC[N@@H+]1C ZINC000371484240 150054434 /nfs/dbraw/zinc/05/44/34/150054434.db2.gz BKJPALUGXNECEZ-JZGRTCEGSA-N 2 0 301.478 2.676 20 0 DFADRP CCO[C@@H]1C[C@H]([NH2+]CCc2cn3c(n2)CCCC3)C12CCC2 ZINC000371506622 150057968 /nfs/dbraw/zinc/05/79/68/150057968.db2.gz TVJUUGDSQPVNDN-JKSUJKDBSA-N 2 0 303.450 2.699 20 0 DFADRP Cc1nn(C)c(C)c1C[NH2+]C[C@@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000371723986 150086582 /nfs/dbraw/zinc/08/65/82/150086582.db2.gz OMNIVFAGCGRWOS-PKOBYXMFSA-N 2 0 312.461 2.820 20 0 DFADRP Cc1nn(C)c(C)c1C[NH2+]C[C@H]1CC[N@H+](C)[C@H]1c1ccccc1 ZINC000371723985 150086850 /nfs/dbraw/zinc/08/68/50/150086850.db2.gz OMNIVFAGCGRWOS-MJGOQNOKSA-N 2 0 312.461 2.820 20 0 DFADRP CC[C@@H]1CCC[C@H](C[NH+]2CCN([C@H]3CCC[N@H+](C)C3)CC2)C1 ZINC000371836341 150102740 /nfs/dbraw/zinc/10/27/40/150102740.db2.gz YNVUMHILKBXXGI-QYZOEREBSA-N 2 0 307.526 2.915 20 0 DFADRP CC[N@@H+]1CC[C@H](C[NH2+]C2CCN(c3cccc(OC)c3)CC2)C1 ZINC000371974994 150119650 /nfs/dbraw/zinc/11/96/50/150119650.db2.gz RYUWUWXBBCOLDB-MRXNPFEDSA-N 2 0 317.477 2.595 20 0 DFADRP COc1ccc(C[N@@H+]2CCC[C@H](c3nccn3C)C2)cc1F ZINC000373108011 150233586 /nfs/dbraw/zinc/23/35/86/150233586.db2.gz ZAMUOYYLLNKZRG-AWEZNQCLSA-N 2 0 303.381 2.947 20 0 DFADRP Cc1cncn1C1CCN(C(=O)[C@H](C)[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000373763210 150253301 /nfs/dbraw/zinc/25/33/01/150253301.db2.gz MOFSPLTZZYZHME-LZWOXQAQSA-N 2 0 318.465 2.616 20 0 DFADRP COc1cccc(CN2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@@H]32)c1F ZINC000373858530 150268153 /nfs/dbraw/zinc/26/81/53/150268153.db2.gz HKTGCOMDMHYEOS-YQQAZPJKSA-N 2 0 322.424 2.518 20 0 DFADRP C[C@@H]1CN(Cc2cccc(Cl)c2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000374332129 150347284 /nfs/dbraw/zinc/34/72/84/150347284.db2.gz RCFBJTGDUSTKFE-CRAIPNDOSA-N 2 0 321.896 2.798 20 0 DFADRP CCOC1CC(C[NH+]2CCC(CCC[NH+]3CCOCC3)CC2)C1 ZINC000351730510 286204887 /nfs/dbraw/zinc/20/48/87/286204887.db2.gz PDDNYXZXTDLQNN-UHFFFAOYSA-N 2 0 324.509 2.626 20 0 DFADRP Cc1nocc1C[NH+]1CCC(CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000351732861 286205354 /nfs/dbraw/zinc/20/53/54/286205354.db2.gz UPXKJEZCLJYICK-GASCZTMLSA-N 2 0 321.465 2.694 20 0 DFADRP Cc1ncc(C[N@H+](C)CC2CCN(c3cc[nH+]cc3)CC2)cn1 ZINC000351751253 286209771 /nfs/dbraw/zinc/20/97/71/286209771.db2.gz AHWVQIAWHCCTCB-UHFFFAOYSA-N 2 0 311.433 2.528 20 0 DFADRP CC(=O)CC[NH+]1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000378302088 150785115 /nfs/dbraw/zinc/78/51/15/150785115.db2.gz TXEYLBOHYOPSMX-UHFFFAOYSA-N 2 0 300.446 2.954 20 0 DFADRP CCN(CCC[NH+](CC)CC)C(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC000351809177 286223697 /nfs/dbraw/zinc/22/36/97/286223697.db2.gz MIYBOLVCSIIMJW-GOSISDBHSA-N 2 0 323.525 2.974 20 0 DFADRP CCN(CCC[NH+](CC)CC)C(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC000351809178 286223709 /nfs/dbraw/zinc/22/37/09/286223709.db2.gz MIYBOLVCSIIMJW-SFHVURJKSA-N 2 0 323.525 2.974 20 0 DFADRP C[C@H]([NH3+])[C@@H]1CC[N@H+](CCc2nc(-c3ccc(Cl)cc3)no2)C1 ZINC000351857457 286233174 /nfs/dbraw/zinc/23/31/74/286233174.db2.gz BMALPNVHIOQEDT-WCQYABFASA-N 2 0 320.824 2.602 20 0 DFADRP C[C@@H]([NH3+])[C@H]1CC[N@H+](CCc2nc(-c3ccc(Cl)cc3)no2)C1 ZINC000351857458 286233344 /nfs/dbraw/zinc/23/33/44/286233344.db2.gz BMALPNVHIOQEDT-YPMHNXCESA-N 2 0 320.824 2.602 20 0 DFADRP CC[NH+](CC)CCC[C@@H](C)NC(=O)CC[C@H]1CCCC[N@@H+]1C ZINC000351886385 286237416 /nfs/dbraw/zinc/23/74/16/286237416.db2.gz JMTNQCWCLDRHRE-IAGOWNOFSA-N 2 0 311.514 2.878 20 0 DFADRP CCn1nc(C[NH+]2CCC(C[NH+](C)C)CC2)c2ccccc21 ZINC000351994119 286264364 /nfs/dbraw/zinc/26/43/64/286264364.db2.gz DLXBDVRYJRHVGN-UHFFFAOYSA-N 2 0 300.450 2.830 20 0 DFADRP CCC[C@H]([NH2+]C(C)C)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000352130394 286299736 /nfs/dbraw/zinc/29/97/36/286299736.db2.gz YYQSVNJKZZIMMI-ROUUACIJSA-N 2 0 317.477 2.544 20 0 DFADRP CCC[C@H]([NH2+]C(C)C)C(=O)NC[C@H](c1cccc(F)c1)[NH+](C)C ZINC000352142641 286303194 /nfs/dbraw/zinc/30/31/94/286303194.db2.gz VXMAIXQKAVITCD-DLBZAZTESA-N 2 0 323.456 2.711 20 0 DFADRP CCC[C@H]([NH2+]C(C)C)C(=O)NCc1cccc(C[N@H+](C)CC)c1 ZINC000352146415 286304246 /nfs/dbraw/zinc/30/42/46/286304246.db2.gz FIMCMFAWFFZJCW-SFHVURJKSA-N 2 0 319.493 2.921 20 0 DFADRP O[C@@H](C[NH2+]C1CC(c2ccccc2Cl)C1)C[NH+]1CCCC1 ZINC000352221825 286321684 /nfs/dbraw/zinc/32/16/84/286321684.db2.gz OALNAKQGVKZSGY-NRXISQOPSA-N 2 0 308.853 2.632 20 0 DFADRP CCC[C@H]([NH2+]C(C)C)C(=O)NC[C@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC000352219695 286321026 /nfs/dbraw/zinc/32/10/26/286321026.db2.gz RPFXLVBYIUEHEI-RYRKJORJSA-N 2 0 311.514 2.780 20 0 DFADRP COc1ccc([C@@H](C)[NH2+]CC2=CC[N@H+](C)CC2)cc1NC(C)=O ZINC000271841184 286355031 /nfs/dbraw/zinc/35/50/31/286355031.db2.gz GXIRUUJHYKTXCL-CYBMUJFWSA-N 2 0 317.433 2.566 20 0 DFADRP Cc1cc(C[NH+]2CCC(CCC[NH+]3CCCC3)CC2)ncn1 ZINC000428291550 296689291 /nfs/dbraw/zinc/68/92/91/296689291.db2.gz BACLGOKDGRSYJZ-UHFFFAOYSA-N 2 0 302.466 2.873 20 0 DFADRP [NH3+]CCC[N@@H+](CC(=O)NC1CCCCCC1)CC1CCCC1 ZINC000352518571 286395622 /nfs/dbraw/zinc/39/56/22/286395622.db2.gz IOIJJZKOKSRLAB-UHFFFAOYSA-N 2 0 309.498 2.666 20 0 DFADRP CC[NH+](CC)CCC[C@@H](C)[NH2+]Cc1ccc2c(c1)oc(=O)n2C ZINC000352750366 286457807 /nfs/dbraw/zinc/45/78/07/286457807.db2.gz QGIQTPNWHCTQDE-CQSZACIVSA-N 2 0 319.449 2.732 20 0 DFADRP COCCCC[N@@H+]1CCC2(C1)CC[NH+](CCCCOC)CC2 ZINC000368764891 292320180 /nfs/dbraw/zinc/32/01/80/292320180.db2.gz KAHHCALCELRRGY-UHFFFAOYSA-N 2 0 312.498 2.628 20 0 DFADRP CCC[C@H]([NH2+]C(C)C)C(=O)Nc1ccc(CC[NH+](C)C)cc1 ZINC000353160281 286566742 /nfs/dbraw/zinc/56/67/42/286566742.db2.gz YBINRXNSWXBBJM-KRWDZBQOSA-N 2 0 305.466 2.896 20 0 DFADRP CCC1(C[NH2+]CC2(SC)CC[NH+](C)CC2)CCOCC1 ZINC000353187302 286574086 /nfs/dbraw/zinc/57/40/86/286574086.db2.gz KTVXGHIKVCQINO-UHFFFAOYSA-N 2 0 300.512 2.610 20 0 DFADRP CC[NH+](CC)CCOCC[NH2+][C@@H]1CCCC[C@H]1[C@H]1CCOC1 ZINC000353272679 286597776 /nfs/dbraw/zinc/59/77/76/286597776.db2.gz OYZILEQFATZDSV-OKZBNKHCSA-N 2 0 312.498 2.530 20 0 DFADRP Cc1cccc2c(NCC3CC[NH+](CCO)CC3)c(C)c[nH+]c12 ZINC000185298078 158053190 /nfs/dbraw/zinc/05/31/90/158053190.db2.gz BIFWKVSJRGFYJI-UHFFFAOYSA-N 2 0 313.445 2.968 20 0 DFADRP CC[C@H]([NH2+][C@H]1CCN(C)[C@@H](C)C1)c1ccc2c(c1)OCCO2 ZINC000246809300 158100908 /nfs/dbraw/zinc/10/09/08/158100908.db2.gz AMYDXYHIALEMNV-BPUTZDHNSA-N 2 0 304.434 2.981 20 0 DFADRP CCCCOCC[NH2+][C@H]1CCN(Cc2ccccn2)C[C@H]1C ZINC000246884871 158104681 /nfs/dbraw/zinc/10/46/81/158104681.db2.gz DGINDPQMTITSOP-AEFFLSMTSA-N 2 0 305.466 2.698 20 0 DFADRP CC[NH+](CC)[C@H](CN[C@@H]1C[C@H](C)[N@H+](C)C[C@H]1C)c1ccco1 ZINC000246917257 158105825 /nfs/dbraw/zinc/10/58/25/158105825.db2.gz GDBNEYIVUFOLKX-YYIAUSFCSA-N 2 0 307.482 2.981 20 0 DFADRP CC[N@@H+]1CC[C@H]([NH2+][C@H]2CCN(c3ncccc3Cl)C2)[C@@H](C)C1 ZINC000246945488 158106373 /nfs/dbraw/zinc/10/63/73/158106373.db2.gz HDJSGZZQANSSOY-DZKIICNBSA-N 2 0 322.884 2.634 20 0 DFADRP C[C@H](C(=O)NC1CC[NH+](C2CCCC2)CC1)[NH+]1[C@H](C)CC[C@H]1C ZINC000247381107 158133055 /nfs/dbraw/zinc/13/30/55/158133055.db2.gz UHRBKIQXRTXHQJ-BZUAXINKSA-N 2 0 321.509 2.771 20 0 DFADRP CC[NH+]1CCN([C@@H]2CC[N@@H+]([C@H]3CCCc4ccccc43)C2)CC1 ZINC000247403786 158133766 /nfs/dbraw/zinc/13/37/66/158133766.db2.gz RTLJLVAYGLXUPO-QUCCMNQESA-N 2 0 313.489 2.776 20 0 DFADRP C[N@@H+]1CCC[C@H]2C[NH+](CCC(=O)Nc3ccccc3F)CC[C@H]21 ZINC000247972027 158155291 /nfs/dbraw/zinc/15/52/91/158155291.db2.gz JRWMIQPWMJTTRD-WMLDXEAASA-N 2 0 319.424 2.570 20 0 DFADRP CCN1CCC[C@H]1C[NH2+][C@H](C)c1cccc(OCC[NH+](C)C)c1 ZINC000248048229 158158671 /nfs/dbraw/zinc/15/86/71/158158671.db2.gz VTZVEAVGPPRMNG-AEFFLSMTSA-N 2 0 319.493 2.762 20 0 DFADRP COc1ccc([C@H](C)[NH2+]CCCC[N@@H+]2CCC[C@H]2CO)cc1F ZINC000248179762 158164193 /nfs/dbraw/zinc/16/41/93/158164193.db2.gz WFFJSULRNCERRF-HOCLYGCPSA-N 2 0 324.440 2.722 20 0 DFADRP c1cnn(CC[NH2+][C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)c1 ZINC000248396487 158172309 /nfs/dbraw/zinc/17/23/09/158172309.db2.gz HCZLPAZYDSNBDM-XUVXKRRUSA-N 2 0 324.472 2.773 20 0 DFADRP CO[C@H](C)[C@H](C)[NH2+][C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000248829424 158203080 /nfs/dbraw/zinc/20/30/80/158203080.db2.gz KYBJVUJHGOXVDX-BSWVEEBUSA-N 2 0 302.462 2.910 20 0 DFADRP CCC[N@H+](C)CC(=O)Nc1cccc(CC[NH+]2CCCC2)c1 ZINC000354995806 158249403 /nfs/dbraw/zinc/24/94/03/158249403.db2.gz LCCSZYIYSVOUPJ-UHFFFAOYSA-N 2 0 303.450 2.605 20 0 DFADRP CO[C@@]1(C)CCC[N@H+](Cc2cn(-c3cc[nH+]cc3)nc2C)C1 ZINC000355208738 158298878 /nfs/dbraw/zinc/29/88/78/158298878.db2.gz BWANLDIGQZIXFH-KRWDZBQOSA-N 2 0 300.406 2.577 20 0 DFADRP CCCN(CC[NH+]1CCCCCC1)C(=O)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000356641591 158304572 /nfs/dbraw/zinc/30/45/72/158304572.db2.gz ITAXFRNFZWZFER-ZWKOTPCHSA-N 2 0 323.525 2.831 20 0 DFADRP COc1ccccc1CN(CCOCC[NH3+])Cc1cccs1 ZINC000357021937 158349816 /nfs/dbraw/zinc/34/98/16/158349816.db2.gz ACPLCQKANJDUML-UHFFFAOYSA-N 2 0 320.458 2.734 20 0 DFADRP CCOc1cc(C[NH+]2CCC([C@H]3CC[NH2+]C3)CC2)ccc1OC ZINC000357042697 158354559 /nfs/dbraw/zinc/35/45/59/158354559.db2.gz FVDSZOLKOHTDGQ-KRWDZBQOSA-N 2 0 318.461 2.915 20 0 DFADRP C[N@H+](Cc1ccccc1)CC(C)(C)CN1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000357054488 158356796 /nfs/dbraw/zinc/35/67/96/158356796.db2.gz QDORGUILHSRQLK-RTBURBONSA-N 3 0 315.505 2.686 20 0 DFADRP C[N@H+](Cc1ccccc1)CC(C)(C)CN1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000357054485 158357141 /nfs/dbraw/zinc/35/71/41/158357141.db2.gz QDORGUILHSRQLK-MOPGFXCFSA-N 3 0 315.505 2.686 20 0 DFADRP Cn1cc(C[NH+]2CCC([C@@H]3CC[NH2+]C3)CC2)c(-c2ccccc2)n1 ZINC000357061204 158359486 /nfs/dbraw/zinc/35/94/86/158359486.db2.gz ZRNVBWRKXGQFPQ-GOSISDBHSA-N 2 0 324.472 2.909 20 0 DFADRP CC(C)[N@H+](CCOCC[NH3+])Cc1cccc(Br)c1 ZINC000357076461 158360644 /nfs/dbraw/zinc/36/06/44/158360644.db2.gz OUHVOBIACGDCKT-UHFFFAOYSA-N 2 0 315.255 2.635 20 0 DFADRP CC[N@@H+]1CC[C@@H]([NH2+]CCCc2ccc3c(c2)OCCO3)[C@H](C)C1 ZINC000358281863 158366914 /nfs/dbraw/zinc/36/69/14/158366914.db2.gz DCLDKDSDRZATNO-NVXWUHKLSA-N 2 0 318.461 2.710 20 0 DFADRP C[C@@H]([NH2+][C@@H]1CCO[C@H](C)C1)c1cccc(OCC[NH+](C)C)c1 ZINC000358297850 158369765 /nfs/dbraw/zinc/36/97/65/158369765.db2.gz KKWXCGJQRZBYGO-BFYDXBDKSA-N 2 0 306.450 2.845 20 0 DFADRP C[C@H]([NH2+][C@@H]1CCO[C@H](C)C1)c1cccc(OCC[NH+](C)C)c1 ZINC000358297852 158370087 /nfs/dbraw/zinc/37/00/87/158370087.db2.gz KKWXCGJQRZBYGO-HLLBOEOZSA-N 2 0 306.450 2.845 20 0 DFADRP C[C@H](CC[NH+](C)C)N[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000358670745 158397478 /nfs/dbraw/zinc/39/74/78/158397478.db2.gz WVOGERNTSWJGKM-LMMKCTJWSA-N 2 0 303.494 2.969 20 0 DFADRP CC[NH2+]CC1CC[NH+]([C@@H](C)C(=O)N(CC)c2ccccc2)CC1 ZINC000430564533 296795429 /nfs/dbraw/zinc/79/54/29/296795429.db2.gz LSTYNQXJUNSSQQ-INIZCTEOSA-N 2 0 317.477 2.750 20 0 DFADRP CC[NH2+]CC1CC[NH+]([C@H](C)C(=O)Nc2ccc(CC)cc2)CC1 ZINC000430585620 296797886 /nfs/dbraw/zinc/79/78/86/296797886.db2.gz SPLIAESLXWUCQQ-OAHLLOKOSA-N 2 0 317.477 2.898 20 0 DFADRP CC[NH2+]CC1CC[NH+]([C@H](C)C(=O)Nc2ccc(Cl)cc2)CC1 ZINC000430574176 296796406 /nfs/dbraw/zinc/79/64/06/296796406.db2.gz RWSOCYSROWWJQW-CYBMUJFWSA-N 2 0 323.868 2.989 20 0 DFADRP CC[NH2+]CC1CC[NH+]([C@H](C)C(=O)Nc2cc(F)ccc2C)CC1 ZINC000430578408 296796883 /nfs/dbraw/zinc/79/68/83/296796883.db2.gz PEYWBZVYNWRKDU-CQSZACIVSA-N 2 0 321.440 2.783 20 0 DFADRP COc1cccc(-c2nc(C[NH+]3CCC(C[NH3+])CC3)cs2)c1 ZINC000430625929 296801239 /nfs/dbraw/zinc/80/12/39/296801239.db2.gz KEYRNGBQUIDEQY-UHFFFAOYSA-N 2 0 317.458 2.989 20 0 DFADRP C[C@H]([NH3+])C1CC[NH+](CC(=O)Nc2ccccc2C(C)(C)C)CC1 ZINC000430925814 296812445 /nfs/dbraw/zinc/81/24/45/296812445.db2.gz MPOAMFQIFZDNAA-AWEZNQCLSA-N 2 0 317.477 2.982 20 0 DFADRP C[C@H]([NH2+]C(C)(C)CNC(=O)C1(C[NH3+])CCCC1)c1ccccc1 ZINC000430912532 296811493 /nfs/dbraw/zinc/81/14/93/296811493.db2.gz MCLUOYCFIHQOAE-HNNXBMFYSA-N 2 0 317.477 2.751 20 0 DFADRP Cc1cccc(C)c1NC(=O)[C@@H](C)[NH+]1CCC([C@@H](C)[NH3+])CC1 ZINC000430951298 296814458 /nfs/dbraw/zinc/81/44/58/296814458.db2.gz LDKVTTBCHBBKCC-HUUCEWRRSA-N 2 0 303.450 2.690 20 0 DFADRP Cc1ccc([C@@H](C)NC(=O)C[NH+]2CCC([C@@H](C)[NH3+])CC2)cc1C ZINC000430965350 296816148 /nfs/dbraw/zinc/81/61/48/296816148.db2.gz IVRQJNSMXOEAKH-HZPDHXFCSA-N 2 0 317.477 2.540 20 0 DFADRP C[C@@H]([NH3+])C1CC[NH+](CC(=O)N[C@H](C)c2ccc(Cl)cc2)CC1 ZINC000430966945 296816331 /nfs/dbraw/zinc/81/63/31/296816331.db2.gz QHKPFFBEUMVGFL-CHWSQXEVSA-N 2 0 323.868 2.576 20 0 DFADRP CC[C@@H]1CCCC[N@@H+]1CC(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000246386433 287006043 /nfs/dbraw/zinc/00/60/43/287006043.db2.gz JNARHDWAKCZWKI-QZTJIDSGSA-N 2 0 317.477 2.670 20 0 DFADRP C[C@@H]([NH2+]C[C@H](C)C[NH+](C)C)c1ccc(NC(=O)NC2CC2)cc1 ZINC000293824175 287034850 /nfs/dbraw/zinc/03/48/50/287034850.db2.gz WFXFLTZEVQNURH-UONOGXRCSA-N 2 0 318.465 2.819 20 0 DFADRP CC[NH+](CC)Cc1ccccc1CNC(=O)[C@@]1(CC)CCC[NH2+]1 ZINC000129010040 196011068 /nfs/dbraw/zinc/01/10/68/196011068.db2.gz FUVIUQHCLJXLPB-LJQANCHMSA-N 2 0 317.477 2.677 20 0 DFADRP C[C@H]([NH2+]Cc1ccnc(N2CC[NH+](C)CC2)c1)c1ccccc1 ZINC000129408924 196045814 /nfs/dbraw/zinc/04/58/14/196045814.db2.gz WXVDFOJZUFFOSD-INIZCTEOSA-N 2 0 310.445 2.684 20 0 DFADRP CC(C)[C@@H](C(=O)N1CCC[N@H+](CC2CCCCC2)CC1)[NH+](C)C ZINC000130947036 196125466 /nfs/dbraw/zinc/12/54/66/196125466.db2.gz SZARULFSLMMPBY-SFHVURJKSA-N 2 0 323.525 2.687 20 0 DFADRP C[C@H](C[NH2+][C@@H]1CC[C@H](c2ccccc2)C1)N1CC[NH+](C)CC1 ZINC000131228822 196151184 /nfs/dbraw/zinc/15/11/84/196151184.db2.gz PNXQLCSZYCJZTA-NZSAHSFTSA-N 2 0 301.478 2.548 20 0 DFADRP C[C@@H]([NH2+]CC(C)(C)C[NH+](C)C)c1ccc(-n2cncn2)cc1 ZINC000132175492 196232578 /nfs/dbraw/zinc/23/25/78/196232578.db2.gz YWQYZUUEGZEZOK-CQSZACIVSA-N 2 0 301.438 2.506 20 0 DFADRP Cc1cccc2c1CC[C@H]2[NH2+]C[C@H](C(C)C)N1CC[NH+](C)CC1 ZINC000132419045 196253985 /nfs/dbraw/zinc/25/39/85/196253985.db2.gz PDJSSZZTEFRIBH-WOJBJXKFSA-N 2 0 315.505 2.844 20 0 DFADRP CCC[NH+]1CCC([NH2+]C[C@H]2COC3(CCCCCC3)O2)CC1 ZINC000133276090 196327249 /nfs/dbraw/zinc/32/72/49/196327249.db2.gz IYAATRXCAABUCL-KRWDZBQOSA-N 2 0 310.482 2.916 20 0 DFADRP CC[NH+](CC)[C@H](CN[C@H]1CC[N@H+](C)C[C@@H]1C)c1ccccc1 ZINC000134021718 196354042 /nfs/dbraw/zinc/35/40/42/196354042.db2.gz ZSASUATUWNNQSX-YTQUADARSA-N 2 0 303.494 2.999 20 0 DFADRP C[C@H]1C[C@H]1c1ccc(C[NH+]2CCC(C[NH+]3CCOCC3)CC2)o1 ZINC000134107256 196361432 /nfs/dbraw/zinc/36/14/32/196361432.db2.gz NHSZBFKXMUOJKX-MAUKXSAKSA-N 2 0 318.461 2.947 20 0 DFADRP CC[NH+]1CCN(c2ccccc2C[NH2+]CC2(SC)CC2)CC1 ZINC000433182992 296899293 /nfs/dbraw/zinc/89/92/93/296899293.db2.gz PWCBBPKIRMTPKZ-UHFFFAOYSA-N 2 0 319.518 2.814 20 0 DFADRP C[C@@H]1CC[C@H](C)[N@H+]1[C@H]1CCCN(Cc2cnc3n2CCC3)C1 ZINC000667534386 543624536 /nfs/dbraw/zinc/62/45/36/543624536.db2.gz WEDVIUIBPGXCIJ-XHSDSOJGSA-N 2 0 302.466 2.667 20 0 DFADRP Cc1ncc(CN2CCC[C@@H](C[N@H+]3CCCC[C@@H]3C)C2)n1C ZINC000667561410 543630952 /nfs/dbraw/zinc/63/09/52/543630952.db2.gz WEYUEMASYSIUKH-DOTOQJQBSA-N 2 0 304.482 2.815 20 0 DFADRP OC1CC[NH+](Cc2ccccc2C[NH2+][C@H]2CCC[C@@H]3C[C@@H]32)CC1 ZINC000667889019 543698024 /nfs/dbraw/zinc/69/80/24/543698024.db2.gz NKQRMZDWYANYCY-XPGWFJOJSA-N 2 0 314.473 2.922 20 0 DFADRP CC[N@@H+]1CC[C@@H](N(C)Cc2ccnn2-c2cc[nH+]cc2)C[C@H]1C ZINC000667664098 543654738 /nfs/dbraw/zinc/65/47/38/543654738.db2.gz CITXGEUWXOQMAR-NVXWUHKLSA-N 2 0 313.449 2.572 20 0 DFADRP C[NH+]1CCN(C[C@H]([NH2+][C@@H]2CCC[C@@H]3C[C@@H]32)c2ccccc2)CC1 ZINC000667755734 543673247 /nfs/dbraw/zinc/67/32/47/543673247.db2.gz BMCVYSNGYPTYGC-WCIQWLHISA-N 2 0 313.489 2.753 20 0 DFADRP CC[NH+]1CCN(c2ccc(C[NH2+][C@H]3CCC[C@@H]4C[C@@H]43)cn2)CC1 ZINC000667788253 543679491 /nfs/dbraw/zinc/67/94/91/543679491.db2.gz LVMKEVCJMCRSNC-SQNIBIBYSA-N 2 0 314.477 2.502 20 0 DFADRP C[C@@H]1CN(Cc2ccccc2)C[C@@H]1[NH2+][C@H]1CO[C@H](C2CC2)C1 ZINC000667992022 543719727 /nfs/dbraw/zinc/71/97/27/543719727.db2.gz GKOZJRNPHXUYKU-OAOYMFHYSA-N 2 0 300.446 2.664 20 0 DFADRP c1ccc(C[N@H+]2CC[C@H](C[NH2+][C@H]3CO[C@H](C4CC4)C3)C2)cc1 ZINC000668089958 543736136 /nfs/dbraw/zinc/73/61/36/543736136.db2.gz CHFGVIFFZDXZSV-QRQLOZEOSA-N 2 0 300.446 2.666 20 0 DFADRP c1ccc(C[N@H+]2CC[C@H](C[NH2+][C@@H]3CO[C@H](C4CC4)C3)C2)cc1 ZINC000668089956 543736543 /nfs/dbraw/zinc/73/65/43/543736543.db2.gz CHFGVIFFZDXZSV-NEWSRXKRSA-N 2 0 300.446 2.666 20 0 DFADRP CC[C@H](C[NH+]1CCCC1)NC(=O)C[C@@H](c1ccccc1)[NH+](C)C ZINC000667956332 543710977 /nfs/dbraw/zinc/71/09/77/543710977.db2.gz PWOVPOHUVKLXKH-MSOLQXFVSA-N 2 0 317.477 2.670 20 0 DFADRP c1cc(C[N@@H+]2CC[C@H](c3cccnc3)C2)n(-c2cc[nH+]cc2)n1 ZINC000668273143 543781550 /nfs/dbraw/zinc/78/15/50/543781550.db2.gz VAVWVAPGPPJPOO-INIZCTEOSA-N 2 0 305.385 2.652 20 0 DFADRP COCCc1ccc(OC[C@H](C)[NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)cc1 ZINC000668295727 543787214 /nfs/dbraw/zinc/78/72/14/543787214.db2.gz XTENRQXBUKNRCX-RYQLBKOJSA-N 2 0 320.477 2.573 20 0 DFADRP CC(C)[C@@H](C[NH+]1CCC([N@@H+]2CC[C@H](O)C2)CC1)c1ccccc1 ZINC000668738465 543857380 /nfs/dbraw/zinc/85/73/80/543857380.db2.gz DHUJVBNKFCQVNE-VQTJNVASSA-N 2 0 316.489 2.957 20 0 DFADRP Fc1ccc2c(c1)C[C@@H]1[C@H]([NH2+]C3CC[NH+](CC4CC4)CC3)[C@H]21 ZINC000668744430 543859885 /nfs/dbraw/zinc/85/98/85/543859885.db2.gz NCFXILYOVZJMJR-OTWHNJEPSA-N 2 0 300.421 2.928 20 0 DFADRP C[NH+](C)CCC[C@@H]1C[N@H+](Cc2cccc3cc[nH]c32)CCO1 ZINC000668785741 543867812 /nfs/dbraw/zinc/86/78/12/543867812.db2.gz WIVZDQXXNUKFDO-QGZVFWFLSA-N 2 0 301.434 2.711 20 0 DFADRP C[C@H]([NH2+]CC(C)(C)N1CC[NH+](C)CC1)[C@@H]1C[C@H]1c1cccs1 ZINC000669417454 543943716 /nfs/dbraw/zinc/94/37/16/543943716.db2.gz XFCKVBOMXMEOHZ-HRCADAONSA-N 2 0 321.534 2.856 20 0 DFADRP CC[C@H](C)NC(=O)[C@@H]1C[C@H](C)[N@H+](C[C@H](C)[NH3+])[C@@H]2CCCC[C@H]12 ZINC000442664203 297199637 /nfs/dbraw/zinc/19/96/37/297199637.db2.gz LSTWOYKMMMBGOR-OVYBAWALSA-N 2 0 309.498 2.518 20 0 DFADRP C[C@H]([NH2+]CCCC[NH+]1CCOCC1)[C@@H]1C[C@H]1c1ccccc1 ZINC000670153843 544025567 /nfs/dbraw/zinc/02/55/67/544025567.db2.gz LJPORTAUAHZJCB-WDSOQIARSA-N 2 0 302.462 2.881 20 0 DFADRP CC[NH+](CC)CCO[C@@H]1CC[N@H+](Cc2cccc(OC)c2F)C1 ZINC000669709081 543986864 /nfs/dbraw/zinc/98/68/64/543986864.db2.gz VCWHCBAZCGYUNK-MRXNPFEDSA-N 2 0 324.440 2.767 20 0 DFADRP CC(C)C(C[N@@H+]1CCCN(Cc2nccn2C)CC1)C(C)C ZINC000671305699 544066157 /nfs/dbraw/zinc/06/61/57/544066157.db2.gz NOGGJGCJMSYOJH-UHFFFAOYSA-N 2 0 306.498 2.856 20 0 DFADRP COC(C)(C)[C@H](C)[NH2+]C[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000671109051 544056150 /nfs/dbraw/zinc/05/61/50/544056150.db2.gz UWXNYZZAGJTGEY-WMZOPIPTSA-N 2 0 304.478 2.954 20 0 DFADRP FC(F)[C@@H]1CC[N@H+](CCCN2CCN(c3ccccc3)CC2)C1 ZINC000671685499 544097513 /nfs/dbraw/zinc/09/75/13/544097513.db2.gz HAJOPMVPNIMKMF-MRXNPFEDSA-N 2 0 323.431 2.786 20 0 DFADRP CC(C)[C@H](C[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@@H]21)c1ccnn1C ZINC000671762060 544107807 /nfs/dbraw/zinc/10/78/07/544107807.db2.gz VMARWWBQSYWFPM-YYIAUSFCSA-N 2 0 304.482 2.622 20 0 DFADRP OC[C@H](C[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccc(Cl)cc1 ZINC000672619020 544143862 /nfs/dbraw/zinc/14/38/62/544143862.db2.gz HYJFQXGLFMEZMG-UAGQMJEPSA-N 2 0 308.853 2.632 20 0 DFADRP CC[C@@H]1C[N@@H+]2CCCC[C@H]2CN1C(=O)CC[C@@H]1CCCC[NH+]1C ZINC000672987681 544163446 /nfs/dbraw/zinc/16/34/46/544163446.db2.gz GZUIGWWYIRJQPV-SQNIBIBYSA-N 2 0 321.509 2.726 20 0 DFADRP OC[C@@H]1CCC[N@@H+]1CCCC[NH2+][C@@H]1CCCc2c(O)cccc21 ZINC000291226195 222238358 /nfs/dbraw/zinc/23/83/58/222238358.db2.gz NVFLBYODCJMKMV-MAUKXSAKSA-N 2 0 318.461 2.596 20 0 DFADRP OC[C@H]1CCC[N@@H+]1CCCC[NH2+][C@H]1CCCc2ccc(O)cc21 ZINC000291279780 222281595 /nfs/dbraw/zinc/28/15/95/222281595.db2.gz RBXQLILWJZSCBD-APWZRJJASA-N 2 0 318.461 2.596 20 0 DFADRP CC(C)N1CC[C@H]([NH+]2CCC(C[NH+]3CCCCCC3)CC2)C1=O ZINC000673855133 544203074 /nfs/dbraw/zinc/20/30/74/544203074.db2.gz FULMWYGDPVDQDZ-SFHVURJKSA-N 2 0 321.509 2.584 20 0 DFADRP C[C@H](Cc1ccncc1)[NH2+]Cc1ccc(OCC[NH+](C)C)cc1 ZINC000674089714 544219326 /nfs/dbraw/zinc/21/93/26/544219326.db2.gz ZRDSMDMLXSCUIL-MRXNPFEDSA-N 2 0 313.445 2.743 20 0 DFADRP CC[C@@H](C[NH+]1CCCC1)NC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000674094528 544219960 /nfs/dbraw/zinc/21/99/60/544219960.db2.gz OXMCEDLOPLXDJU-IRXDYDNUSA-N 2 0 321.509 2.632 20 0 DFADRP C[C@@H](C(=O)NCc1ccccc1C[NH+]1CCCCCC1)[NH+](C)C ZINC000674246496 544226664 /nfs/dbraw/zinc/22/66/64/544226664.db2.gz LPEPTFQHBHAIQP-INIZCTEOSA-N 2 0 317.477 2.629 20 0 DFADRP c1[nH+]cn2cc(C[NH2+]CCCc3ccc4c(c3)CCO4)ccc12 ZINC000297457867 227193642 /nfs/dbraw/zinc/19/36/42/227193642.db2.gz HVICUPFTVREQQM-UHFFFAOYSA-N 2 0 307.397 2.992 20 0 DFADRP Cc1nccn1[C@@H]1CCCN(Cc2cn3cc(C)ccc3n2)C1 ZINC000674492119 544242232 /nfs/dbraw/zinc/24/22/32/544242232.db2.gz KYXREGQCOFYASQ-QGZVFWFLSA-N 2 0 309.417 2.985 20 0 DFADRP COc1ccc(CC[NH2+][C@@H](C)C2CC[NH+](C)CC2)c(OC)c1 ZINC000675788984 544336691 /nfs/dbraw/zinc/33/66/91/544336691.db2.gz PRGUHUFPZSOIBT-AWEZNQCLSA-N 2 0 306.450 2.566 20 0 DFADRP Cc1cccc([C@H](C)[NH2+]CC(C)(C)N2CC[NH+](C)CC2)c1C ZINC000675741736 544332723 /nfs/dbraw/zinc/33/27/23/544332723.db2.gz GRVVBAHOTIGGSC-KRWDZBQOSA-N 2 0 303.494 2.980 20 0 DFADRP C[NH+]1CCN(C(C)(C)C[NH2+][C@H]2CC(C)(C)Cc3occc32)CC1 ZINC000675742454 544332901 /nfs/dbraw/zinc/33/29/01/544332901.db2.gz QEPRIRYMPZGUQD-INIZCTEOSA-N 2 0 319.493 2.909 20 0 DFADRP C[C@H]1Cc2ccccc2[C@@H]1[NH2+]CC(C)(C)N1CC[NH+](C)CC1 ZINC000675742378 544332964 /nfs/dbraw/zinc/33/29/64/544332964.db2.gz NYBGJZSMEXMOKA-MAUKXSAKSA-N 2 0 301.478 2.536 20 0 DFADRP C[C@@H](CCCC(F)(F)F)[NH2+][C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000681389769 545636234 /nfs/dbraw/zinc/63/62/34/545636234.db2.gz UGVKAHYCDZKOOZ-UONOGXRCSA-N 2 0 321.431 2.866 20 0 DFADRP Cc1cccc2c1CC[C@H]2[NH2+][C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000675869805 544340947 /nfs/dbraw/zinc/34/09/47/544340947.db2.gz AVFJSEVTWAPKJA-OXQOHEQNSA-N 2 0 313.489 2.740 20 0 DFADRP CC[C@@H]([NH2+][C@H](C)C1CC[NH+](C)CC1)c1nnc2n1CCCCC2 ZINC000675804514 544337762 /nfs/dbraw/zinc/33/77/62/544337762.db2.gz BGGZFODUGYIPIB-GDBMZVCRSA-N 2 0 319.497 2.776 20 0 DFADRP Cc1nc([C@H](C)[NH2+]CCCN2C[C@@H](C)O[C@H](C)C2)c(C)s1 ZINC000676490650 544379581 /nfs/dbraw/zinc/37/95/81/544379581.db2.gz QLBYIFBYASKDHG-UPJWGTAASA-N 2 0 311.495 2.910 20 0 DFADRP CC[NH+](CC)Cc1ccc(C(=O)N2CC[N@H+](CC)[C@@H](C)C2)cc1 ZINC000677173452 544446787 /nfs/dbraw/zinc/44/67/87/544446787.db2.gz HTJGUIFJZRELKU-INIZCTEOSA-N 2 0 317.477 2.695 20 0 DFADRP COc1ccc(C2([NH2+]CC[C@@H]3CCC[N@@H+]3C)CCOCC2)cc1 ZINC000678078742 544595800 /nfs/dbraw/zinc/59/58/00/544595800.db2.gz ATYWBCJEODVESI-KRWDZBQOSA-N 2 0 318.461 2.775 20 0 DFADRP C[N@@H+]1CCC[C@H](N2CC[NH+](C[C@H]3CCCC(C)(C)C3)CC2)C1 ZINC000678259012 544634655 /nfs/dbraw/zinc/63/46/55/544634655.db2.gz VRCNWWVKPMDVIC-ROUUACIJSA-N 2 0 307.526 2.915 20 0 DFADRP C[NH+](C)CCOc1ccc(C[N@@H+]2CCO[C@H]3CCCC[C@H]32)cc1 ZINC000678182647 544616539 /nfs/dbraw/zinc/61/65/39/544616539.db2.gz ZXFHMWXUQVLZJH-MOPGFXCFSA-N 2 0 318.461 2.770 20 0 DFADRP CCC[N@H+](Cc1ccc(OCC[NH+](C)C)cc1)CC(C)(C)O ZINC000678238613 544627944 /nfs/dbraw/zinc/62/79/44/544627944.db2.gz AZMYTWOGLLEMTF-UHFFFAOYSA-N 2 0 308.466 2.610 20 0 DFADRP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@H](C)c2ccc(C)nc2C)CC1 ZINC000678422527 544670438 /nfs/dbraw/zinc/67/04/38/544670438.db2.gz GUDSNDRNKHQFMQ-NVXWUHKLSA-N 2 0 318.509 2.623 20 0 DFADRP C[NH+](C)CCOC1CC[NH+](C[C@H]2CCOc3ccccc32)CC1 ZINC000678260747 544636727 /nfs/dbraw/zinc/63/67/27/544636727.db2.gz INGHERACAWPHJC-MRXNPFEDSA-N 2 0 318.461 2.595 20 0 DFADRP CC[N@@H+]1CC[C@H](N(C)Cc2nn(C)c3ccccc23)C[C@H]1C ZINC000678276581 544640733 /nfs/dbraw/zinc/64/07/33/544640733.db2.gz JSTGGTLUUXCGNQ-CABCVRRESA-N 2 0 300.450 2.878 20 0 DFADRP C[C@H]([NH2+]CC[C@@H]1COc2ccccc2O1)C1CC[NH+](C)CC1 ZINC000678598437 544699015 /nfs/dbraw/zinc/69/90/15/544699015.db2.gz IHAMHFZLSXBFES-GOEBONIOSA-N 2 0 304.434 2.536 20 0 DFADRP Cc1cc(C[NH2+][C@@H](C)c2ccc(OCC[NH+](C)C)cc2)ncn1 ZINC000678604205 544701260 /nfs/dbraw/zinc/70/12/60/544701260.db2.gz AJNVYXTUCMAUPM-HNNXBMFYSA-N 2 0 314.433 2.576 20 0 DFADRP CCc1nc2ccccc2n1CC[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000679024734 544769710 /nfs/dbraw/zinc/76/97/10/544769710.db2.gz JHBRDHSETVJWNO-HOTGVXAUSA-N 2 0 312.461 2.815 20 0 DFADRP Cc1ccc(N[C@@H]2CC[N@H+](C)[C@@H](C)C2)c(OCC[NH+](C)C)c1 ZINC000679148943 544792355 /nfs/dbraw/zinc/79/23/55/544792355.db2.gz WGFGIRUZRNKDSP-JKSUJKDBSA-N 2 0 305.466 2.830 20 0 DFADRP COC1(C)CC[NH+](Cc2ccc(OCC[NH+](C)C)cc2)CC1 ZINC000679423597 544851614 /nfs/dbraw/zinc/85/16/14/544851614.db2.gz XKYCINIHKBIECX-UHFFFAOYSA-N 2 0 306.450 2.628 20 0 DFADRP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+]1CCC[C@H](c2cc[nH]n2)C1 ZINC000680327816 544991199 /nfs/dbraw/zinc/99/11/99/544991199.db2.gz WVEJZMPQEDSVGN-HNNXBMFYSA-N 2 0 322.416 2.678 20 0 DFADRP c1n[nH]cc1C[NH2+][C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000680146655 544964089 /nfs/dbraw/zinc/96/40/89/544964089.db2.gz ZWIYIHGCOIZXKA-IPMKNSEASA-N 2 0 310.445 2.800 20 0 DFADRP C[NH+](C)Cc1cccc(C(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)c1 ZINC000155588861 425921397 /nfs/dbraw/zinc/92/13/97/425921397.db2.gz AEGWJRWJKXSRLM-UHFFFAOYSA-N 2 0 317.477 2.787 20 0 DFADRP CC[NH+]1CCN([C@H](C)C[NH2+][C@@H](C)c2ccc(F)cc2F)CC1 ZINC000155609209 425922488 /nfs/dbraw/zinc/92/24/88/425922488.db2.gz FDCYVPQANKLEAT-KGLIPLIRSA-N 2 0 311.420 2.641 20 0 DFADRP CN(C)CC[NH+]1CCC(C[NH2+][C@@H]2CCCc3ccccc32)CC1 ZINC000124506567 425922896 /nfs/dbraw/zinc/92/28/96/425922896.db2.gz FZLPWGBALSGCAU-HXUWFJFHSA-N 2 0 315.505 2.927 20 0 DFADRP CC[NH+]1CCN([C@@H](C)C[NH2+][C@H](C)c2cc(C)ccc2OC)CC1 ZINC000155638768 425923363 /nfs/dbraw/zinc/92/33/63/425923363.db2.gz SPVUDEIHAQMUCA-DLBZAZTESA-N 2 0 319.493 2.680 20 0 DFADRP CC[NH+]1CCN([C@@H](C)C[NH2+][C@H]2CCCOc3ccccc32)CC1 ZINC000155684354 425923718 /nfs/dbraw/zinc/92/37/18/425923718.db2.gz XDNUUMUOTLRGAN-WMZOPIPTSA-N 2 0 317.477 2.516 20 0 DFADRP CC(C)N(C)CC[NH2+][C@H](C)c1ccc(OCC[NH+](C)C)cc1 ZINC000155733619 425925380 /nfs/dbraw/zinc/92/53/80/425925380.db2.gz DFYTTYQQJPTNEF-MRXNPFEDSA-N 2 0 307.482 2.618 20 0 DFADRP CC[NH+]1CCN([C@H](C)C[NH2+][C@H]2c3cc(F)ccc3C[C@@H]2C)CC1 ZINC000155763105 425927010 /nfs/dbraw/zinc/92/70/10/425927010.db2.gz XOKNDSBEFHNYDH-QMTMVMCOSA-N 2 0 319.468 2.675 20 0 DFADRP Cc1ccc(C)c2c1CCC[C@H]2[NH2+]CCCN1CC[NH+](C)CC1 ZINC000186087643 267807516 /nfs/dbraw/zinc/80/75/16/267807516.db2.gz MMSPSSVRYBRUFF-LJQANCHMSA-N 2 0 315.505 2.908 20 0 DFADRP Cc1ccc(C)c2c1CCC[C@H]2[NH2+][C@@H](C)CN1CC[NH+](C)CC1 ZINC000186157529 267808738 /nfs/dbraw/zinc/80/87/38/267808738.db2.gz QLWRRFVHSNVSQA-PKOBYXMFSA-N 2 0 315.505 2.906 20 0 DFADRP CC(C)c1nc([C@@H](C)[NH2+]CC2CC[NH+](CCO)CC2)cs1 ZINC000186324790 267812947 /nfs/dbraw/zinc/81/29/47/267812947.db2.gz DARODIHPRGIMIB-CYBMUJFWSA-N 2 0 311.495 2.621 20 0 DFADRP OCC[NH+]1CCC(C[NH2+][C@@H]2CC[C@@H](Cc3ccccc3)C2)CC1 ZINC000189165404 267929557 /nfs/dbraw/zinc/92/95/57/267929557.db2.gz BYTNYEQJAFBHQY-VQTJNVASSA-N 2 0 316.489 2.692 20 0 DFADRP COc1ccc(Br)cc1C[NH2+]CCCC[NH+](C)C ZINC000045598376 425861561 /nfs/dbraw/zinc/86/15/61/425861561.db2.gz LRTJOHTVPQJJQZ-UHFFFAOYSA-N 2 0 315.255 2.889 20 0 DFADRP CCCn1ccnc1CCC[N@H+](C)CCC(=O)NC1CCCC1 ZINC000191518172 268003012 /nfs/dbraw/zinc/00/30/12/268003012.db2.gz RFBRHSYRBMLZOI-UHFFFAOYSA-N 2 0 320.481 2.606 20 0 DFADRP C[C@H](CCN[C@H](C)c1ccnn1C)[N@H+](C)Cc1ccccc1 ZINC000192924239 268054172 /nfs/dbraw/zinc/05/41/72/268054172.db2.gz WVBDMVTVLQZIPZ-HZPDHXFCSA-N 2 0 300.450 2.981 20 0 DFADRP C[C@@H]([NH2+]CCC[NH+]1CCCC1)c1ccc2c(c1)OCCCO2 ZINC000192925656 268054258 /nfs/dbraw/zinc/05/42/58/268054258.db2.gz FJFVSPBBKFQPAE-OAHLLOKOSA-N 2 0 304.434 2.984 20 0 DFADRP CC[NH+]1CCN([C@H](C)C[NH2+]Cc2cc(Cl)cs2)CC1 ZINC000193004951 268057199 /nfs/dbraw/zinc/05/71/99/268057199.db2.gz ZOZMWGKPRLETKT-GFCCVEGCSA-N 2 0 301.887 2.517 20 0 DFADRP CCc1nc([C@H](C)[NH2+]CCCN2CC[NH+](C(C)C)CC2)cs1 ZINC000193008073 268056924 /nfs/dbraw/zinc/05/69/24/268056924.db2.gz UFAZVLVJURZEHI-HNNXBMFYSA-N 2 0 324.538 2.772 20 0 DFADRP Cc1cc(Br)ccc1CN1C[C@@H]2C[N@H+](C)C[C@@H]2C1 ZINC000193645402 268075104 /nfs/dbraw/zinc/07/51/04/268075104.db2.gz GKGUZRJOUWYDET-OKILXGFUSA-N 2 0 309.251 2.751 20 0 DFADRP C[NH+](C)CCCC[NH2+][C@H]1CCC[C@H]1CNC(=O)OC(C)(C)C ZINC000229093215 268145366 /nfs/dbraw/zinc/14/53/66/268145366.db2.gz BXBOELYOEGAIES-GJZGRUSLSA-N 2 0 313.486 2.611 20 0 DFADRP O=C(CC1CC[NH2+]CC1)NCC1([NH+]2CCCCC2)CCCCC1 ZINC000238135019 268163181 /nfs/dbraw/zinc/16/31/81/268163181.db2.gz WDRRYEWIRABSJB-UHFFFAOYSA-N 2 0 321.509 2.681 20 0 DFADRP COc1ccc(Br)cc1C[NH2+]CC[C@@H]1CC[NH2+]C1 ZINC000259042509 268168917 /nfs/dbraw/zinc/16/89/17/268168917.db2.gz PTSOATARUPXZPE-NSHDSACASA-N 2 0 313.239 2.547 20 0 DFADRP [NH3+][C@@H]1CCC[C@@H]1[NH2+]CCc1cc(Br)ccc1F ZINC000259189563 268168946 /nfs/dbraw/zinc/16/89/46/268168946.db2.gz WOBXNCKFZFOQPB-OLZOCXBDSA-N 2 0 301.203 2.600 20 0 DFADRP C[C@H](CC(N)=O)[NH2+]Cc1ccc(C[NH+]2C[C@H](C)C[C@@H](C)C2)cc1 ZINC000267258825 268180515 /nfs/dbraw/zinc/18/05/15/268180515.db2.gz PUBRSUCDUCTRME-BZUAXINKSA-N 2 0 317.477 2.518 20 0 DFADRP CC[NH+](CC)C[C@H]1CCN(C(=O)c2sccc2C[NH+](C)C)C1 ZINC000268098393 268183526 /nfs/dbraw/zinc/18/35/26/268183526.db2.gz KKVHAYBBBSLKCO-CQSZACIVSA-N 2 0 323.506 2.614 20 0 DFADRP CC(C)[NH+]1CCN(C2CC[NH+]([C@@H](C)c3cccnc3)CC2)CC1 ZINC000270946893 268239077 /nfs/dbraw/zinc/23/90/77/268239077.db2.gz SCHVVKVYXAMSLE-KRWDZBQOSA-N 2 0 316.493 2.633 20 0 DFADRP C[N@@H+]1CCC[C@@H]1CCN1C[C@H](O)C[C@@H]1c1cc(F)ccc1F ZINC000270992253 268245721 /nfs/dbraw/zinc/24/57/21/268245721.db2.gz IKXMRFRDRKWFRP-CKEIUWERSA-N 2 0 310.388 2.557 20 0 DFADRP CC[C@H](C)NC(=O)[C@@H](C)[NH+]1CCC(C[NH+]2CCCCCC2)CC1 ZINC000048564631 425875768 /nfs/dbraw/zinc/87/57/68/425875768.db2.gz UEZLREPFCUINGO-DLBZAZTESA-N 2 0 323.525 2.878 20 0 DFADRP C[C@@H]1CN([C@@H]2CC[NH+](Cc3ccccc3)C2)CC[N@@H+](C2CC2)C1 ZINC000298083742 268312901 /nfs/dbraw/zinc/31/29/01/268312901.db2.gz MEIYIVKJVPAAQU-FXAWDEMLSA-N 2 0 313.489 2.677 20 0 DFADRP Cn1cnc(CC[NH2+]Cc2ccc(Cl)c3cccnc23)c1 ZINC000313301190 268339500 /nfs/dbraw/zinc/33/95/00/268339500.db2.gz OWQFDDPUACFHNA-UHFFFAOYSA-N 2 0 300.793 2.954 20 0 DFADRP Cn1cnc(CC[NH2+]Cc2ccc(F)c(C(F)(F)F)c2)c1 ZINC000313305927 268339784 /nfs/dbraw/zinc/33/97/84/268339784.db2.gz SPENQQSEVBHURV-UHFFFAOYSA-N 2 0 301.287 2.910 20 0 DFADRP COc1ccc(Br)cc1C[NH2+]CCc1cn(C)cn1 ZINC000313260529 268339999 /nfs/dbraw/zinc/33/99/99/268339999.db2.gz GSWSZUVQJNOJKP-UHFFFAOYSA-N 2 0 324.222 2.524 20 0 DFADRP COc1ccc(C[N@@H+]2C[C@@H](C)[C@](C)(C[NH3+])C2)cc1OC(F)F ZINC000319587385 268346695 /nfs/dbraw/zinc/34/66/95/268346695.db2.gz WCCWENOHXHLSNH-BDJLRTHQSA-N 2 0 314.376 2.713 20 0 DFADRP c1sc(-c2ccccn2)nc1C[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000320040426 268347296 /nfs/dbraw/zinc/34/72/96/268347296.db2.gz IFBZYYGJYVQLMI-OKILXGFUSA-N 2 0 314.458 2.637 20 0 DFADRP Cc1c(Cl)cccc1NC(=O)C[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000320715155 268348001 /nfs/dbraw/zinc/34/80/01/268348001.db2.gz QDTCEYFCRNFCPE-OKILXGFUSA-N 2 0 321.852 2.518 20 0 DFADRP CC(C)CCC[C@H](C)NC(=O)C[NH+]1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000321585244 268348983 /nfs/dbraw/zinc/34/89/83/268348983.db2.gz IOQDGFLLDZXNTO-FUHWJXTLSA-N 2 0 323.525 2.781 20 0 DFADRP c1ccc(CN2CCC[N@@H+](CC[C@H]3CCC[NH2+]C3)CC2)cc1 ZINC000323833267 268349862 /nfs/dbraw/zinc/34/98/62/268349862.db2.gz RCYLSUDDYXMISW-GOSISDBHSA-N 2 0 301.478 2.584 20 0 DFADRP [NH3+]Cc1cn([C@@H]2CCC[N@H+](CCC3CCCCCC3)C2)nn1 ZINC000333118500 268375482 /nfs/dbraw/zinc/37/54/82/268375482.db2.gz HSWOJYOVFBCKRB-QGZVFWFLSA-N 2 0 305.470 2.734 20 0 DFADRP C[C@@H]1C[C@@H](C[N@@H+]2CCC[C@H](c3noc(C4CC4)n3)C2)CC[NH2+]1 ZINC000333187870 268380903 /nfs/dbraw/zinc/38/09/03/268380903.db2.gz UECNHGZSKCIIBF-IPYPFGDCSA-N 2 0 304.438 2.515 20 0 DFADRP C[C@@H](c1ccc(Cl)c(Cl)c1)[N@H+](C)CCN1CC[NH2+]CC1 ZINC000071148910 425983441 /nfs/dbraw/zinc/98/34/41/425983441.db2.gz OEZLEVRGEIUAGX-LBPRGKRZSA-N 2 0 316.276 2.891 20 0 DFADRP CC(C)[NH2+]Cc1cc(C(F)(F)F)ccc1N1CC[NH+](C)CC1 ZINC000125643250 425983850 /nfs/dbraw/zinc/98/38/50/425983850.db2.gz JJJPEKWEPURYPY-UHFFFAOYSA-N 2 0 315.383 2.955 20 0 DFADRP CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](c1ccc(C)cc1)[NH+](C)C ZINC000125946321 425997424 /nfs/dbraw/zinc/99/74/24/425997424.db2.gz RVXMVMHKRROBLR-ROUUACIJSA-N 2 0 317.477 2.588 20 0 DFADRP C[C@@H]1CC[C@H](C)C[N@H+]1CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000158756710 425947269 /nfs/dbraw/zinc/94/72/69/425947269.db2.gz RTAYCSFJPGMDCC-JZXOWHBKSA-N 2 0 317.477 2.526 20 0 DFADRP C[C@@H]1CCCC[N@@H+]1CCC1CC[NH+](CC(=O)N2CCCC2)CC1 ZINC000158917028 425949511 /nfs/dbraw/zinc/94/95/11/425949511.db2.gz MWXLBNRUGWIOSI-QGZVFWFLSA-N 2 0 321.509 2.585 20 0 DFADRP CCN(CC)C(=O)C[NH+]1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000158945267 425951267 /nfs/dbraw/zinc/95/12/67/425951267.db2.gz YGVNVDSAUXVCAG-KRWDZBQOSA-N 2 0 323.525 2.831 20 0 DFADRP C[C@@H]([NH3+])[C@H]1CCC[N@H+](CCC(=O)Nc2cccc(Cl)c2)C1 ZINC000070174488 425969221 /nfs/dbraw/zinc/96/92/21/425969221.db2.gz YRIHCGOCFSUHCK-OLZOCXBDSA-N 2 0 309.841 2.728 20 0 DFADRP COc1ccnc(C[N@@H+]2CC[C@@H](CNc3cccc(C)[nH+]3)C2)c1 ZINC000106860445 425977032 /nfs/dbraw/zinc/97/70/32/425977032.db2.gz CFPIONDMIYXNJB-HNNXBMFYSA-N 2 0 312.417 2.728 20 0 DFADRP Fc1cc(CN[C@H]2CC[N@@H+]3CCC[C@@H]3C2)ccc1-n1ccnc1 ZINC000126654350 426029691 /nfs/dbraw/zinc/02/96/91/426029691.db2.gz BDDIECKROPYMTG-JKSUJKDBSA-N 2 0 314.408 2.728 20 0 DFADRP c1ccc(C[N@@H+]2CCC[C@H](N[C@@H]3CC[NH+]4CCC[C@@H]4C3)C2)cc1 ZINC000161597173 426030854 /nfs/dbraw/zinc/03/08/54/426030854.db2.gz GUKZXMNAOKSLIG-HSALFYBXSA-N 2 0 313.489 2.867 20 0 DFADRP CC[C@H](C)[C@H](C)[NH2+]Cc1ccc(CN2CC[NH+](C)CC2)cc1 ZINC000126655168 426031394 /nfs/dbraw/zinc/03/13/94/426031394.db2.gz FVRGPQHLKHCLSC-IRXDYDNUSA-N 2 0 303.494 2.958 20 0 DFADRP CC(C)C[NH2+]Cc1cccc(OCC[N@H+](C)C2CCOCC2)c1 ZINC000161631608 426033242 /nfs/dbraw/zinc/03/32/42/426033242.db2.gz ZLWHLRVCNVDSMA-UHFFFAOYSA-N 2 0 320.477 2.922 20 0 DFADRP C[C@@H]([NH2+]CCCn1cccn1)c1ccc(OCC[NH+](C)C)cc1 ZINC000126977843 426045330 /nfs/dbraw/zinc/04/53/30/426045330.db2.gz RUMZFWRIPNAHMV-MRXNPFEDSA-N 2 0 316.449 2.564 20 0 DFADRP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)[NH2+][C@H](C)COC)CC1 ZINC000127293467 426061038 /nfs/dbraw/zinc/06/10/38/426061038.db2.gz QVAHZQYBOLSFKB-HUUCEWRRSA-N 2 0 323.456 2.653 20 0 DFADRP CCn1cc([C@H](C)[NH2+]Cc2ccc(OCC[NH+](C)C)cc2)cn1 ZINC000162490733 426066682 /nfs/dbraw/zinc/06/66/82/426066682.db2.gz RUHPHRUEMWUTQT-HNNXBMFYSA-N 2 0 316.449 2.694 20 0 DFADRP C[C@@H]([NH2+]Cc1ccc(OCC[NH+](C)C)cc1)c1cncs1 ZINC000162501644 426066918 /nfs/dbraw/zinc/06/69/18/426066918.db2.gz LCJGJKDHNOGBRM-CYBMUJFWSA-N 2 0 305.447 2.934 20 0 DFADRP CC[C@H](C(=O)NC[C@H](c1ccc(C)cc1)[NH+]1CCCC1)[NH+](C)C ZINC000126492752 426022105 /nfs/dbraw/zinc/02/21/05/426022105.db2.gz ALNMERYBDNCRLF-QZTJIDSGSA-N 2 0 317.477 2.588 20 0 DFADRP Cc1cc(C)c([C@@H](C)[NH2+]C[C@@H](C)N2CC[NH+](C)CC2)cc1C ZINC000127812262 426087484 /nfs/dbraw/zinc/08/74/84/426087484.db2.gz DVAIOIGTGSYUET-QZTJIDSGSA-N 2 0 303.494 2.898 20 0 DFADRP C[C@@H](C[NH2+][C@@H](C)c1cc2ccccc2o1)N1CC[NH+](C)CC1 ZINC000127799520 426087821 /nfs/dbraw/zinc/08/78/21/426087821.db2.gz YZHRLAZQVMVHNC-GJZGRUSLSA-N 2 0 301.434 2.719 20 0 DFADRP Cc1nn(C)cc1CN[C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000163083556 426088213 /nfs/dbraw/zinc/08/82/13/426088213.db2.gz XGHMIFDBAYICBZ-KXBFYZLASA-N 2 0 312.461 2.729 20 0 DFADRP COC(=O)[C@H](c1ccccc1C)N(C)CCCn1ccnc1C ZINC000163200158 426092666 /nfs/dbraw/zinc/09/26/66/426092666.db2.gz ORTKDZZBWSZQRZ-KRWDZBQOSA-N 2 0 315.417 2.736 20 0 DFADRP CC[N@@H+]1CC[C@@H](C[NH2+][C@@H](C)c2ccc(OCCOC)cc2)C1 ZINC000163241530 426093077 /nfs/dbraw/zinc/09/30/77/426093077.db2.gz NTSFWCVSBZYTRF-HOTGVXAUSA-N 2 0 306.450 2.704 20 0 DFADRP CC[NH+](CC)C[C@@H]1CC[N@H+](CCC(=O)Nc2ccccc2F)C1 ZINC000076001751 426093156 /nfs/dbraw/zinc/09/31/56/426093156.db2.gz VVLBLZQIXGCRGG-HNNXBMFYSA-N 2 0 321.440 2.818 20 0 DFADRP CCC[NH+](CCC)CCCC(=O)N1C[C@@H]2CCC[N@@H+]2C[C@@H]1C ZINC000113222285 426107206 /nfs/dbraw/zinc/10/72/06/426107206.db2.gz VFOJMGDSNIQSSY-IRXDYDNUSA-N 2 0 309.498 2.584 20 0 DFADRP Cc1cc(C)cc([C@@H](C)[NH2+]CCCN2CCC[N@H+](C)CC2)c1 ZINC000128237035 426107489 /nfs/dbraw/zinc/10/74/89/426107489.db2.gz TZIPEARWXZIEHI-GOSISDBHSA-N 2 0 303.494 2.982 20 0 DFADRP Cc1ccc(CC[C@H](C)[NH2+]CCCN2CCC[N@H+](C)CC2)cc1 ZINC000128241163 426109207 /nfs/dbraw/zinc/10/92/07/426109207.db2.gz AUWDJYZNUBUHPE-IBGZPJMESA-N 2 0 317.521 2.933 20 0 DFADRP CC[NH+](CC)CCN(Cc1cccs1)C(=O)[C@H]1CC[C@@H]([NH3+])C1 ZINC000163801832 426109374 /nfs/dbraw/zinc/10/93/74/426109374.db2.gz LNKPSEXILWPXKW-LSDHHAIUSA-N 2 0 323.506 2.546 20 0 DFADRP C[C@H]([NH2+]C[C@@H]1CC[N@H+](CCc2ccccc2)C1)[C@@H]1CCOC1 ZINC000165298800 426121839 /nfs/dbraw/zinc/12/18/39/426121839.db2.gz NADBBPJWJOTMEA-YTQUADARSA-N 2 0 302.462 2.566 20 0 DFADRP C[C@@H](C[NH2+][C@@H](C)c1ccc(-n2cncn2)cc1)C[NH+]1CCCC1 ZINC000165334479 426122342 /nfs/dbraw/zinc/12/23/42/426122342.db2.gz AAMNFSJJSVUFTK-HOTGVXAUSA-N 2 0 313.449 2.650 20 0 DFADRP CCO[C@@H](CC[NH+](C)C)C[NH2+][C@H](C)c1cc(F)ccc1F ZINC000165944763 426125087 /nfs/dbraw/zinc/12/50/87/426125087.db2.gz UFGYQDRLLTUIRG-OCCSQVGLSA-N 2 0 300.393 2.972 20 0 DFADRP CCO[C@@H](CC[NH+](C)C)C[NH2+]C1CCN(c2ccccc2)CC1 ZINC000166006271 426125746 /nfs/dbraw/zinc/12/57/46/426125746.db2.gz MSIQOKPGAONNPR-IBGZPJMESA-N 2 0 319.493 2.602 20 0 DFADRP C[C@H]([NH2+]C[C@@]1(C)CCCO1)c1cccc(OCC[NH+](C)C)c1 ZINC000167045090 426130847 /nfs/dbraw/zinc/13/08/47/426130847.db2.gz DLXBMUOTCOJBCE-MAUKXSAKSA-N 2 0 306.450 2.847 20 0 DFADRP CC(C)[NH+]1CCC(NC(=O)C[N@H+](C)C2CCCCCC2)CC1 ZINC000114454128 426136615 /nfs/dbraw/zinc/13/66/15/426136615.db2.gz CXZDXCLQDLQQHM-UHFFFAOYSA-N 2 0 309.498 2.630 20 0 DFADRP C[C@H](C[NH2+]CCCC[NH+]1CCN(C)CC1)c1ccc(F)cc1 ZINC000127589741 426074923 /nfs/dbraw/zinc/07/49/23/426074923.db2.gz NEYZWQLBMURRAX-MRXNPFEDSA-N 2 0 307.457 2.546 20 0 DFADRP C[C@H](C[NH2+][C@@H](C)c1ccc(F)c(Cl)c1)N1CC[NH+](C)CC1 ZINC000127593497 426075089 /nfs/dbraw/zinc/07/50/89/426075089.db2.gz VCVPNXPGPBUDGI-OLZOCXBDSA-N 2 0 313.848 2.766 20 0 DFADRP C[C@@H]([NH2+]C[C@H](C)N1CC[NH+](C)CC1)c1ccc2c(c1)CCCC2 ZINC000127738305 426083344 /nfs/dbraw/zinc/08/33/44/426083344.db2.gz QNSYQDOQHHVCMQ-DLBZAZTESA-N 2 0 315.505 2.852 20 0 DFADRP CCc1nn(C)c(CC)c1CN1CCC([NH+]2CCCC2)CC1 ZINC000127784124 426085727 /nfs/dbraw/zinc/08/57/27/426085727.db2.gz PLZDMPZFFCGFES-UHFFFAOYSA-N 2 0 304.482 2.605 20 0 DFADRP CCOC(=O)CCCCC[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000075835537 426086128 /nfs/dbraw/zinc/08/61/28/426086128.db2.gz BKZXZOHWWANQGB-QGZVFWFLSA-N 2 0 310.482 2.918 20 0 DFADRP CC[NH+]1CCN([C@@H]2CC[N@H+](C[C@@H](C)c3ccccc3)C2)CC1 ZINC000116993829 426203838 /nfs/dbraw/zinc/20/38/38/426203838.db2.gz ODEPZAKIJKWOGH-IEBWSBKVSA-N 2 0 301.478 2.502 20 0 DFADRP C[C@@H]1C[C@@H](N[C@@H]2CC[N@@H+](C)C[C@@H]2C)CC[NH+]1Cc1ccccc1 ZINC000129609417 426139603 /nfs/dbraw/zinc/13/96/03/426139603.db2.gz LKWZEJBIGSLATK-KVPLUYHFSA-N 2 0 315.505 2.969 20 0 DFADRP C[NH+]1CCN(CCC[NH2+][C@@H]2CC[C@@H](c3ccccc3)C2)CC1 ZINC000130318413 426154368 /nfs/dbraw/zinc/15/43/68/426154368.db2.gz KDYXZXYMPPIJFG-RTBURBONSA-N 2 0 301.478 2.550 20 0 DFADRP COC(=O)[C@H](c1ccc(F)cc1)N(C)CCCn1ccnc1C ZINC000130487357 426160160 /nfs/dbraw/zinc/16/01/60/426160160.db2.gz CZTSALLOJIDXBV-INIZCTEOSA-N 2 0 319.380 2.567 20 0 DFADRP CC[NH+](CC)Cc1ccc(CNC(=O)C[N@H+](CC)C2CC2)cc1 ZINC000130446331 426160425 /nfs/dbraw/zinc/16/04/25/426160425.db2.gz FZZCFASDHLPMKE-UHFFFAOYSA-N 2 0 317.477 2.629 20 0 DFADRP Fc1ccc2c(c1)CC[C@H]2[NH2+]C1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000132748913 426171779 /nfs/dbraw/zinc/17/17/79/426171779.db2.gz IODRNEYIJUGZIM-IFXJQAMLSA-N 2 0 318.436 2.904 20 0 DFADRP C[C@H]([NH2+]CCc1cccnc1)c1ccc(OCC[NH+](C)C)cc1 ZINC000133452498 426178545 /nfs/dbraw/zinc/17/85/45/426178545.db2.gz YLXHIHUCDZCYIW-INIZCTEOSA-N 2 0 313.445 2.915 20 0 DFADRP CC(C)CN(C(=O)C[NH+]1CCC(C[NH+]2CCCC2)CC1)C(C)C ZINC000171386052 426186867 /nfs/dbraw/zinc/18/68/67/426186867.db2.gz DAJZFDGCRKUNGJ-UHFFFAOYSA-N 2 0 323.525 2.687 20 0 DFADRP CC[C@@]1(C(=O)NCc2ccccc2C[N@H+](C)C(C)C)CCC[NH2+]1 ZINC000134564171 426186986 /nfs/dbraw/zinc/18/69/86/426186986.db2.gz DRQPIJGEBPFVDR-IBGZPJMESA-N 2 0 317.477 2.675 20 0 DFADRP C[C@@H]1CCC[N@@H+]1C1CCN(Cc2ccc3c(c2)OCCO3)CC1 ZINC000134766257 426194606 /nfs/dbraw/zinc/19/46/06/426194606.db2.gz HOZVHVLGYOANIG-OAHLLOKOSA-N 2 0 316.445 2.907 20 0 DFADRP C[C@@H](C(=O)NC[C@@H](c1cccs1)[NH+](C)C)[NH+]1CCCCCC1 ZINC000118757012 426243494 /nfs/dbraw/zinc/24/34/94/426243494.db2.gz ZFCNRVSEAQPQHE-GJZGRUSLSA-N 2 0 323.506 2.732 20 0 DFADRP CC[N@H+](C)C[C@H]1CC[NH+](CCCOCCc2ccccc2)C1 ZINC000173884973 426250114 /nfs/dbraw/zinc/25/01/14/426250114.db2.gz IBABWYOGDYRFCO-LJQANCHMSA-N 2 0 304.478 2.909 20 0 DFADRP COCc1ccc(C[NH2+]CCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000174315728 426253981 /nfs/dbraw/zinc/25/39/81/426253981.db2.gz AXJOONMCWKPEKM-CALCHBBNSA-N 2 0 320.477 2.812 20 0 DFADRP CC[C@@H]([NH2+]C1CCN(CC[NH+](C)C)CC1)c1ccccc1OC ZINC000150994666 426271037 /nfs/dbraw/zinc/27/10/37/426271037.db2.gz PZUKCUPXVVCAAW-GOSISDBHSA-N 2 0 319.493 2.762 20 0 DFADRP C[NH+](C)CCN1CCC([NH2+][C@H]2CCCc3ccccc32)CC1 ZINC000150991540 426271296 /nfs/dbraw/zinc/27/12/96/426271296.db2.gz NBAPRYLIWPXMNU-IBGZPJMESA-N 2 0 301.478 2.680 20 0 DFADRP C[C@H]1Cc2ccc(F)cc2[C@H]1[NH2+]C1CCN(CC[NH+](C)C)CC1 ZINC000151004959 426272509 /nfs/dbraw/zinc/27/25/09/426272509.db2.gz FLSVHGNAZRDDGG-LIRRHRJNSA-N 2 0 319.468 2.675 20 0 DFADRP C[C@H]1C[NH+](CCCC[NH2+]Cc2cccnc2Cl)C[C@H](C)O1 ZINC000171763436 426209937 /nfs/dbraw/zinc/20/99/37/426209937.db2.gz AJBMMSAVLZNHQC-KBPBESRZSA-N 2 0 311.857 2.714 20 0 DFADRP CC(C)[C@@H](Cc1ccc(F)cc1)[NH2+]C[C@H](O)C[NH+]1CCCCC1 ZINC000151298050 426288633 /nfs/dbraw/zinc/28/86/33/426288633.db2.gz ASWJDCVXSMCOPN-RBUKOAKNSA-N 2 0 322.468 2.829 20 0 DFADRP CC(C)Oc1ccc([C@@H](C)NC[C@@H](O)C[NH+]2CCCCC2)cc1 ZINC000151314290 426289088 /nfs/dbraw/zinc/28/90/88/426289088.db2.gz PNAKBVIHOBOTFQ-SJLPKXTDSA-N 2 0 320.477 2.971 20 0 DFADRP C[N@@H+]1CCC[C@@H]1CC[NH+]1CCC(NC(=O)CC2CCCC2)CC1 ZINC000089427793 426289985 /nfs/dbraw/zinc/28/99/85/426289985.db2.gz NNBLYIIAISSFLI-GOSISDBHSA-N 2 0 321.509 2.632 20 0 DFADRP C[C@H](NC[C@H](O)C[NH+]1CCCCC1)c1cc2ccccc2o1 ZINC000151339354 426290486 /nfs/dbraw/zinc/29/04/86/426290486.db2.gz CKDJDGDAKMPFGC-HOCLYGCPSA-N 2 0 302.418 2.930 20 0 DFADRP CC(C)(C)CC[NH+]1CCN(C(=O)C[C@H]([NH3+])c2ccccc2)CC1 ZINC000119546520 426295462 /nfs/dbraw/zinc/29/54/62/426295462.db2.gz KUUCWDZOJMDYMQ-KRWDZBQOSA-N 2 0 317.477 2.657 20 0 DFADRP Cc1ccc2c(c1)OCCC[C@@H]2[NH2+]CC1CC[NH+](CCO)CC1 ZINC000151808415 426313184 /nfs/dbraw/zinc/31/31/84/426313184.db2.gz NWBJZJQUAFKHDV-SFHVURJKSA-N 2 0 318.461 2.503 20 0 DFADRP Cc1ccc(C)c([C@H](C)[NH2+]C[C@@H](C)CN2CC[NH+](C)CC2)c1 ZINC000120860419 426315853 /nfs/dbraw/zinc/31/58/53/426315853.db2.gz GOIUGQUZDIUOPM-AEFFLSMTSA-N 2 0 303.494 2.838 20 0 DFADRP Fc1ccc(CC[NH+]2CCC(C[NH+]3CCOCC3)CC2)cc1F ZINC000151940347 426320350 /nfs/dbraw/zinc/32/03/50/426320350.db2.gz RLXDRIAZHKKFDZ-UHFFFAOYSA-N 2 0 324.415 2.552 20 0 DFADRP C[N@@H+]1CCC[C@@H](CNC2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000121206920 426324927 /nfs/dbraw/zinc/32/49/27/426324927.db2.gz APPYQIAGPPNYQY-IBGZPJMESA-N 2 0 315.505 2.625 20 0 DFADRP COC[C@H]([NH2+][C@@H](C)c1cccc(OCC[NH+](C)C)c1)C1CC1 ZINC000090717385 426331471 /nfs/dbraw/zinc/33/14/71/426331471.db2.gz MEMXKUMRWSVJPH-KSSFIOAISA-N 2 0 306.450 2.703 20 0 DFADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+][C@@H](C)c2cccc(F)c2)CC1 ZINC000121345309 426336117 /nfs/dbraw/zinc/33/61/17/426336117.db2.gz PVRYFHUYJOEKBE-HOTGVXAUSA-N 2 0 307.457 2.750 20 0 DFADRP CCNC(=O)CN(CC)CC(C)(C)C[N@H+](C)Cc1ccccc1 ZINC000119324116 426278480 /nfs/dbraw/zinc/27/84/80/426278480.db2.gz BZVIORKRBQCHNH-UHFFFAOYSA-N 2 0 319.493 2.603 20 0 DFADRP Cc1nccn1-c1ccc([C@@H](C)NC(=O)[C@@H]([NH3+])C(C)(C)C)cc1 ZINC000119326484 426279763 /nfs/dbraw/zinc/27/97/63/426279763.db2.gz BWFXAMHOVXHBCF-MLGOLLRUSA-N 2 0 314.433 2.731 20 0 DFADRP C[C@@H]([NH2+]CCCn1ccnc1)c1cccc(OCC[NH+](C)C)c1 ZINC000151123450 426279796 /nfs/dbraw/zinc/27/97/96/426279796.db2.gz HLYBJUJZCJTPRD-MRXNPFEDSA-N 2 0 316.449 2.564 20 0 DFADRP C[C@H]([NH2+]C[C@@H](O)C[NH+]1CCCCC1)C(C)(C)c1ccccc1 ZINC000151252972 426286431 /nfs/dbraw/zinc/28/64/31/426286431.db2.gz WOTDWAXHPDLFSW-FUHWJXTLSA-N 2 0 304.478 2.789 20 0 DFADRP C[NH+](C)C(C)(C)CNC1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000152608051 426347774 /nfs/dbraw/zinc/34/77/74/426347774.db2.gz GUFKJKDDAYVKRG-UHFFFAOYSA-N 2 0 321.484 2.762 20 0 DFADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]C[C@@H]1CCN(c2ccc(F)cc2)C1 ZINC000152784858 426353984 /nfs/dbraw/zinc/35/39/84/426353984.db2.gz XXQGVPXXOMALPM-OAFZBRQQSA-N 2 0 319.468 2.970 20 0 DFADRP CC(C)CNC(=O)[C@H](C)[NH+]1CCC(CCC[NH+]2CCCC2)CC1 ZINC000121805346 426354013 /nfs/dbraw/zinc/35/40/13/426354013.db2.gz FEQXHQXOWDZIEA-KRWDZBQOSA-N 2 0 323.525 2.735 20 0 DFADRP C[NH+](C)Cc1cc(C[NH2+][C@H]2[C@@H]3CCO[C@@H]3C23CCC3)ccc1F ZINC000121844905 426354151 /nfs/dbraw/zinc/35/41/51/426354151.db2.gz DECFCUROCLCDSE-SZMVWBNQSA-N 2 0 318.436 2.935 20 0 DFADRP Cc1c(C[NH2+]C[C@@]2(C)CCCN2Cc2ccccc2)cnn1C ZINC000121794256 426354361 /nfs/dbraw/zinc/35/43/61/426354361.db2.gz AHCWBVBNAUFMGA-LJQANCHMSA-N 2 0 312.461 2.873 20 0 DFADRP C[NH+]1CCC(NC[C@]2(C)CCC[N@@H+]2Cc2ccccc2)CC1 ZINC000152955350 426362785 /nfs/dbraw/zinc/36/27/85/426362785.db2.gz SFBAHKRBLRTTQZ-IBGZPJMESA-N 2 0 301.478 2.725 20 0 DFADRP CCn1cc([C@@H](C)[NH2+]Cc2ccccc2OCC[NH+](C)C)cn1 ZINC000122355145 426371143 /nfs/dbraw/zinc/37/11/43/426371143.db2.gz TWGPLHNXJDLPPX-OAHLLOKOSA-N 2 0 316.449 2.694 20 0 DFADRP CC1CCC([NH+]2CCC(N(C)Cc3ccnn3C)CC2)CC1 ZINC000122375747 426372105 /nfs/dbraw/zinc/37/21/05/426372105.db2.gz YZUDIENZXBEMMP-UHFFFAOYSA-N 2 0 304.482 2.895 20 0 DFADRP C[C@H]1C[C@@H](NCc2ccnc(OC3CCCC3)c2)CC[N@@H+]1C ZINC000153333952 426380396 /nfs/dbraw/zinc/38/03/96/426380396.db2.gz IOYCAXGECWTCIQ-HOCLYGCPSA-N 2 0 303.450 2.975 20 0 DFADRP C[C@H]([NH2+][C@@H]1C[C@H](C)[N@H+](C)C[C@H]1C)c1ccc(NC(N)=O)cc1 ZINC000123049620 426411572 /nfs/dbraw/zinc/41/15/72/426411572.db2.gz KTWNSCDYSKBKOB-LMOYCYGVSA-N 2 0 304.438 2.557 20 0 DFADRP C[NH+](C)C1(CN[C@@H]2CC[N@H+](C)[C@@H](c3ccccc3)C2)CCC1 ZINC000340361087 268971374 /nfs/dbraw/zinc/97/13/74/268971374.db2.gz ZSMKGUFYQJCMIJ-QZTJIDSGSA-N 2 0 301.478 2.896 20 0 DFADRP CC[NH+]1CCN(CCC[NH2+][C@H](C)c2cc(F)ccc2F)CC1 ZINC000154232199 426431758 /nfs/dbraw/zinc/43/17/58/426431758.db2.gz CXHFMVUJSQIKAE-CQSZACIVSA-N 2 0 311.420 2.643 20 0 DFADRP CC[NH+]1CCN(CCC[NH2+][C@@H]2CCc3c2cccc3C)CC1 ZINC000154234121 426431788 /nfs/dbraw/zinc/43/17/88/426431788.db2.gz PDYARJFLWOWHFK-LJQANCHMSA-N 2 0 301.478 2.600 20 0 DFADRP CC[NH+]1CCN(CCC[NH2+][C@@H](C)c2cc(C)ccc2OC)CC1 ZINC000154265904 426434030 /nfs/dbraw/zinc/43/40/30/426434030.db2.gz QZWUQYUPSYPQBZ-KRWDZBQOSA-N 2 0 319.493 2.682 20 0 DFADRP Cc1ccc(C)c(NC(=O)CN(C)[C@H]2CC[N@H+](C)[C@H](C)C2)c1 ZINC000123464897 426435619 /nfs/dbraw/zinc/43/56/19/426435619.db2.gz RURBGSOABVRXGZ-CVEARBPZSA-N 2 0 303.450 2.656 20 0 DFADRP CC[C@@H]1CCCCN1C(=O)C[NH+]1CCC(CCC[NH+](C)C)CC1 ZINC000123533759 426439694 /nfs/dbraw/zinc/43/96/94/426439694.db2.gz TWSNSLZIPODXBP-GOSISDBHSA-N 2 0 323.525 2.831 20 0 DFADRP CCN1CC[NH+](CCCC[NH2+][C@H](C)c2ccccc2F)CC1 ZINC000154447125 426440266 /nfs/dbraw/zinc/44/02/66/426440266.db2.gz VIGDEKRJGJRRBM-MRXNPFEDSA-N 2 0 307.457 2.894 20 0 DFADRP C[C@@H](O)C[N@H+](Cc1ccc(-n2ccnc2)nc1)C1CCCCC1 ZINC000177103975 426443644 /nfs/dbraw/zinc/44/36/44/426443644.db2.gz MBMMOSOTPJCJOF-OAHLLOKOSA-N 2 0 314.433 2.783 20 0 DFADRP CCc1ccccc1NC(=O)C[C@@H](C)[NH2+]C[C@H]1CCCN1C ZINC000154568522 426445881 /nfs/dbraw/zinc/44/58/81/426445881.db2.gz UKSUOKQRZHPNED-GDBMZVCRSA-N 2 0 303.450 2.650 20 0 DFADRP CCCC[C@@H]([NH3+])C(=O)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000154559352 426446005 /nfs/dbraw/zinc/44/60/05/426446005.db2.gz WDFJOKQCQRVAPO-IAGOWNOFSA-N 2 0 309.498 2.619 20 0 DFADRP Cc1ccc2nc(C[NH2+]C3CCC(C[NH+](C)C)CC3)cn2c1 ZINC000341294034 269062269 /nfs/dbraw/zinc/06/22/69/269062269.db2.gz XDVRGNRJHJIHIX-UHFFFAOYSA-N 2 0 300.450 2.853 20 0 DFADRP C[C@H]([NH2+]CCCC[NH+]1CCN(c2ccccc2)CC1)C1CC1 ZINC000177229514 426456426 /nfs/dbraw/zinc/45/64/26/426456426.db2.gz GAGZILGEYVEMHI-KRWDZBQOSA-N 2 0 301.478 2.977 20 0 DFADRP CC[N@@H+]1CCCC[C@@H]1C(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000177242518 426459443 /nfs/dbraw/zinc/45/94/43/426459443.db2.gz IOPMYRPJLCSWPU-GOSISDBHSA-N 2 0 321.509 2.774 20 0 DFADRP C[C@@H]([NH2+][C@@H](C)CN1CC[NH+](C)CC1)c1ccc(Cl)s1 ZINC000154938935 426459494 /nfs/dbraw/zinc/45/94/94/426459494.db2.gz DXTZYCMRTJOCFI-NWDGAFQWSA-N 2 0 301.887 2.688 20 0 DFADRP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@@H](C)c1cc2c(s1)CCC2 ZINC000155018726 426462431 /nfs/dbraw/zinc/46/24/31/426462431.db2.gz PHRRZCRNXSIJAN-KGLIPLIRSA-N 2 0 307.507 2.523 20 0 DFADRP CC(C)[NH+]1CCC([NH2+][C@@H](CO)Cc2c[nH]c3ccccc23)CC1 ZINC000124133048 426471647 /nfs/dbraw/zinc/47/16/47/426471647.db2.gz VNWKTYFTHQFPCK-QGZVFWFLSA-N 2 0 315.461 2.534 20 0 DFADRP CC[N@@H+]1CC[C@H](C[NH2+][C@@H](C)c2cc(OC)c(OC)c(OC)c2)C1 ZINC000124168255 426473667 /nfs/dbraw/zinc/47/36/67/426473667.db2.gz NTMWTVNGMUTSCV-UONOGXRCSA-N 2 0 322.449 2.705 20 0 DFADRP CN(CC[N@H+](C)Cc1ccc(Cl)cc1)C1CC[NH+](C)CC1 ZINC000177383510 426474207 /nfs/dbraw/zinc/47/42/07/426474207.db2.gz TXKPYXDNRRQCNU-UHFFFAOYSA-N 2 0 309.885 2.798 20 0 DFADRP CCc1ccc(C[NH+]2CCN(CC[C@@H]3CCC[N@@H+]3C)CC2)s1 ZINC000124251373 426477025 /nfs/dbraw/zinc/47/70/25/426477025.db2.gz VERFZZKXYLIDCD-INIZCTEOSA-N 2 0 321.534 2.912 20 0 DFADRP COCc1cc([C@@H](C)[NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)ccc1OC ZINC000124343846 426481108 /nfs/dbraw/zinc/48/11/08/426481108.db2.gz UYTVEZDIWKAMJZ-HUUCEWRRSA-N 2 0 318.461 2.977 20 0 DFADRP C[C@@H]([NH2+]C[C@H]1CC[N@@H+](C2CC2)C1)c1ccc2c(c1)OCCO2 ZINC000124377822 426482447 /nfs/dbraw/zinc/48/24/47/426482447.db2.gz XGPWJWRIEFMLSM-ZIAGYGMSSA-N 2 0 302.418 2.593 20 0 DFADRP C[C@@H]1Cc2ccccc2[C@H]1[NH2+]CC1CC[NH+](CCN(C)C)CC1 ZINC000124396150 426483147 /nfs/dbraw/zinc/48/31/47/426483147.db2.gz INGKVZHSGNOSNI-UZLBHIALSA-N 2 0 315.505 2.783 20 0 DFADRP C[C@@H](C(=O)NCCC1=CCCCC1)[N@H+](C)CCCn1ccnc1 ZINC000124400273 426483520 /nfs/dbraw/zinc/48/35/20/426483520.db2.gz ZYMKJFYYXZDZKS-INIZCTEOSA-N 2 0 318.465 2.600 20 0 DFADRP CCC[NH+]1CCC(CNC(=O)c2ccc(C[NH+](C)C)cc2)CC1 ZINC000101516455 426484204 /nfs/dbraw/zinc/48/42/04/426484204.db2.gz CYLJKVRGNWMNAC-UHFFFAOYSA-N 2 0 317.477 2.600 20 0 DFADRP COC(=O)C[C@@H]1CC[C@H]([NH2+]Cc2cccc(C[NH+](C)C)c2)[C@H]1C ZINC000280161716 426508418 /nfs/dbraw/zinc/50/84/18/426508418.db2.gz FQRBARLHPNCABI-WBAXXEDZSA-N 2 0 318.461 2.816 20 0 DFADRP C[C@@H](NCCC[NH+]1CCCC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272395607 426516117 /nfs/dbraw/zinc/51/61/17/426516117.db2.gz DGPPHVKTBMFAJU-QUCCMNQESA-N 2 0 315.505 2.973 20 0 DFADRP C[C@H](CCc1cccc(F)c1)[NH2+][C@H](C)CCN1CC[NH+](C)CC1 ZINC000186581998 426554890 /nfs/dbraw/zinc/55/48/90/426554890.db2.gz VVLGICDTHLZJJS-IAGOWNOFSA-N 2 0 321.484 2.762 20 0 DFADRP c1ccc(C[N@@H+]2C[C@H]3CN(CCc4ccccn4)C[C@H]3C2)cc1 ZINC000280260475 426532989 /nfs/dbraw/zinc/53/29/89/426532989.db2.gz CIHFIGJWAPBQFZ-KDURUIRLSA-N 2 0 307.441 2.688 20 0 DFADRP Cc1cnn(CC[NH2+][C@@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000272469879 426534575 /nfs/dbraw/zinc/53/45/75/426534575.db2.gz LEFKWKRFIOTKDN-HKUYNNGSSA-N 2 0 312.461 2.692 20 0 DFADRP C[C@@H]1C[C@@H](NC2CC[NH+](CCc3ccccc3)CC2)CC[N@@H+]1C ZINC000177968750 426547615 /nfs/dbraw/zinc/54/76/15/426547615.db2.gz UUUNHBTVGJRMKJ-XLIONFOSSA-N 2 0 315.505 2.766 20 0 DFADRP C[C@H]([NH2+]CCCC[NH+](C)C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272537089 426550728 /nfs/dbraw/zinc/55/07/28/426550728.db2.gz RKEXHCJGBHPZPY-HKUYNNGSSA-N 3 0 303.494 2.828 20 0 DFADRP CCSc1cccc(C[N@H+](CCO)C2CCN(C)CC2)c1 ZINC000186151193 426489352 /nfs/dbraw/zinc/48/93/52/426489352.db2.gz DTFBCLGHAYACGG-UHFFFAOYSA-N 2 0 308.491 2.687 20 0 DFADRP Cc1ccc(C)c2c1CCC[C@@H]2[NH2+][C@H](C)CN1CC[NH+](C)CC1 ZINC000186157549 426489541 /nfs/dbraw/zinc/48/95/41/426489541.db2.gz QLWRRFVHSNVSQA-MJGOQNOKSA-N 2 0 315.505 2.906 20 0 DFADRP C[NH+](C)Cc1ccc(C(=O)NCC2(C[NH+](C)C)CCCC2)cc1 ZINC000186200414 426493681 /nfs/dbraw/zinc/49/36/81/426493681.db2.gz CMLRWUGAQYIYHW-UHFFFAOYSA-N 2 0 317.477 2.600 20 0 DFADRP CCC[NH+](CCC)CCCC(=O)N[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000177564402 426495843 /nfs/dbraw/zinc/49/58/43/426495843.db2.gz ULUXNVQUTXKBHK-DLBZAZTESA-N 2 0 311.514 2.878 20 0 DFADRP CCCC[NH+]1CCC([NH2+][C@@H]2C[C@@H](OCC)C23CCOCC3)CC1 ZINC000186293523 426501478 /nfs/dbraw/zinc/50/14/78/426501478.db2.gz BGFNHDMWKIULBI-QZTJIDSGSA-N 2 0 324.509 2.815 20 0 DFADRP CC[NH+](CC)Cc1ccc(C(=O)N(C)C[C@@H]2CC[N@H+](C)C2)cc1 ZINC000264148282 426504218 /nfs/dbraw/zinc/50/42/18/426504218.db2.gz HCAVADWFUGVZIE-QGZVFWFLSA-N 2 0 317.477 2.552 20 0 DFADRP CC[N@H+](Cc1ccc(C(=O)N[C@H]2C[NH2+]CC[C@@H]2C)cc1)C(C)C ZINC000186674437 426574624 /nfs/dbraw/zinc/57/46/24/426574624.db2.gz JMGJGUQYLCQUPW-YJBOKZPZSA-N 2 0 317.477 2.645 20 0 DFADRP COc1cc(C)c([C@@H](C)[NH2+]C[C@H](C)N2CC[NH+](C)CC2)cc1C ZINC000273142504 426600197 /nfs/dbraw/zinc/60/01/97/426600197.db2.gz FGZIZTWLZJSVAR-DLBZAZTESA-N 2 0 319.493 2.599 20 0 DFADRP C[C@@H]1C[C@H](NC[C@@H](C2CC2)[NH+](C)Cc2ccccc2)CC[N@@H+]1C ZINC000186878310 426603314 /nfs/dbraw/zinc/60/33/14/426603314.db2.gz WXGHQJMIFOEYKC-AHRSYUTCSA-N 2 0 315.505 2.969 20 0 DFADRP CCC(C)(C)[NH2+][C@@H](C)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000273198747 426613920 /nfs/dbraw/zinc/61/39/20/426613920.db2.gz IIAOWAKCNOFEGH-DOTOQJQBSA-N 2 0 317.477 2.544 20 0 DFADRP C[C@@H]([NH2+]CCOCC1CC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272562914 426558220 /nfs/dbraw/zinc/55/82/20/426558220.db2.gz UOUSNFBQMNJWLE-VQIMIIECSA-N 2 0 302.462 2.913 20 0 DFADRP Cc1cc(C)cc([C@H](C)[NH2+][C@H](C)CCN2CC[NH+](C)CC2)c1 ZINC000186602159 426561257 /nfs/dbraw/zinc/56/12/57/426561257.db2.gz NIHAOCKDXVLREJ-MSOLQXFVSA-N 2 0 303.494 2.980 20 0 DFADRP CC[C@H](C(=O)NC[C@@H](c1ccco1)[NH+]1CCCC1)[NH+](CC)CC ZINC000265423119 426634604 /nfs/dbraw/zinc/63/46/04/426634604.db2.gz JRAKMSZDPTZZQG-CVEARBPZSA-N 2 0 321.465 2.653 20 0 DFADRP C[C@H](C[NH+]1CCC(C[NH+]2CCN(C)CC2)CC1)c1ccccc1 ZINC000289397954 426646861 /nfs/dbraw/zinc/64/68/61/426646861.db2.gz GBQRGWVNIXOCBA-GOSISDBHSA-N 2 0 315.505 2.750 20 0 DFADRP C[C@H]([NH2+][C@@H]1C[C@H]2OCCC[C@H]12)c1ccc(OCC[NH+](C)C)cc1 ZINC000187309086 426647785 /nfs/dbraw/zinc/64/77/85/426647785.db2.gz CJMHACVAQXSVFY-JEDBISTDSA-N 2 0 318.461 2.845 20 0 DFADRP C[C@H](c1ccc(Cl)cc1)[C@H](C)[NH2+]CC1(O)CC[NH+](C)CC1 ZINC000280784949 426654223 /nfs/dbraw/zinc/65/42/23/426654223.db2.gz FZSBITXEQFNGGH-KBPBESRZSA-N 2 0 310.869 2.878 20 0 DFADRP CN1CC[C@@H]([NH2+]CC[C@H]2CCC[N@@H+]2C)[C@H]1c1ccc(F)c(F)c1 ZINC000289486887 426669303 /nfs/dbraw/zinc/66/93/03/426669303.db2.gz YOHSEAMOXSNWAF-ZTFGCOKTSA-N 2 0 323.431 2.784 20 0 DFADRP CC[C@@H](COC)[NH2+]CCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000178699156 426679093 /nfs/dbraw/zinc/67/90/93/426679093.db2.gz VVANBWDPGCNSSE-SFHVURJKSA-N 2 0 319.493 2.603 20 0 DFADRP C[C@H]1C[C@@H]([NH2+]C2CCN(CC[NH+](C)C)CC2)c2ccccc21 ZINC000289301315 426623120 /nfs/dbraw/zinc/62/31/20/426623120.db2.gz SEDZQZFCDHXOCE-HNAYVOBHSA-N 2 0 301.478 2.851 20 0 DFADRP C[C@@H]([NH2+]Cc1ccc(CN2CC[NH+](C)CC2)cc1)C1CCC1 ZINC000178414438 426623970 /nfs/dbraw/zinc/62/39/70/426623970.db2.gz LVXJBLRHOJQNKD-MRXNPFEDSA-N 2 0 301.478 2.712 20 0 DFADRP CC(C)[C@H](Cc1ccccc1)[NH2+]C[C@@H](O)C[NH+]1CCCCC1 ZINC000187050257 426624497 /nfs/dbraw/zinc/62/44/97/426624497.db2.gz UOQDXFKFBDCPLJ-MOPGFXCFSA-N 2 0 304.478 2.690 20 0 DFADRP C[C@H](C[NH2+]C[C@H](O)C[NH+]1CCCCC1)c1cccc(Cl)c1 ZINC000187708606 426686074 /nfs/dbraw/zinc/68/60/74/426686074.db2.gz JTDGSJBXZSKANX-PBHICJAKSA-N 2 0 310.869 2.880 20 0 DFADRP CN(Cc1cccc(C(F)(F)F)c1)C[C@H](O)C[N@H+](C)C1CC1 ZINC000290095043 426690747 /nfs/dbraw/zinc/69/07/47/426690747.db2.gz WDQJVWRPXBRQIN-HNNXBMFYSA-N 2 0 316.367 2.592 20 0 DFADRP [NH3+][C@@H](C(=O)NC1CC[NH+](C2CCCCC2)CC1)c1ccccc1 ZINC000178828920 426703589 /nfs/dbraw/zinc/70/35/89/426703589.db2.gz FZGAGCGKOUTQRS-GOSISDBHSA-N 2 0 315.461 2.600 20 0 DFADRP [NH3+][C@H](C(=O)NC1CC[NH+](C2CCCCC2)CC1)c1ccccc1 ZINC000178828910 426704023 /nfs/dbraw/zinc/70/40/23/426704023.db2.gz FZGAGCGKOUTQRS-SFHVURJKSA-N 2 0 315.461 2.600 20 0 DFADRP OC[C@@H]([NH2+]C1CCN(Cc2ccccc2)CC1)c1ccccc1 ZINC000238214205 426710927 /nfs/dbraw/zinc/71/09/27/426710927.db2.gz ADBNBWMLGZRZFQ-HXUWFJFHSA-N 2 0 310.441 2.974 20 0 DFADRP CC[N@H+](C)Cc1cccc(C[NH2+]Cc2cnc([C@H](C)O)s2)c1 ZINC000290209980 426717103 /nfs/dbraw/zinc/71/71/03/426717103.db2.gz DTYQVLMBBWAUNT-ZDUSSCGKSA-N 2 0 319.474 2.938 20 0 DFADRP Cc1ccc(C[NH+](C)C)cc1NC(=O)[C@H]1CC[NH2+][C@H]1C(C)C ZINC000290134149 426700001 /nfs/dbraw/zinc/70/00/01/426700001.db2.gz MAMFKOSCDSVLNW-RDJZCZTQSA-N 2 0 303.450 2.629 20 0 DFADRP C[C@@H]1C[C@@H]([NH2+]CCN2CC[N@H+](C)C(C)(C)C2)c2ccccc21 ZINC000290478845 426772762 /nfs/dbraw/zinc/77/27/62/426772762.db2.gz XHZOJTKNXGSNGP-CRAIPNDOSA-N 2 0 301.478 2.851 20 0 DFADRP C[C@H](C(=O)N1CCC(CCC[NH+](C)C)CC1)[NH+]1[C@H](C)CC[C@H]1C ZINC000245973250 426789761 /nfs/dbraw/zinc/78/97/61/426789761.db2.gz WRAAFQLGGVWTBY-BRWVUGGUSA-N 2 0 323.525 2.828 20 0 DFADRP COC(=O)C1(C[NH2+]C2CC[NH+]([C@H]3CCC[C@@H](C)C3)CC2)CC1 ZINC000188676282 426777110 /nfs/dbraw/zinc/77/71/10/426777110.db2.gz GYKBEFPXLZPAKZ-ZBFHGGJFSA-N 2 0 308.466 2.572 20 0 DFADRP C[C@H](c1cccnc1)[NH+]1CCC(OCC[NH+]2CCCC2)CC1 ZINC000266791720 426779288 /nfs/dbraw/zinc/77/92/88/426779288.db2.gz ZVWOJUVVYONODW-MRXNPFEDSA-N 2 0 303.450 2.719 20 0 DFADRP CCC[N@H+](C)C[C@@H]1CCN(C[C@@H](O)c2c(F)cccc2F)C1 ZINC000266872402 426788332 /nfs/dbraw/zinc/78/83/32/426788332.db2.gz QTFRMEYNTLWIFD-XJKSGUPXSA-N 2 0 312.404 2.662 20 0 DFADRP c1ccc(C[N@H+](CC2CC[NH2+]CC2)CC2CCOCC2)cc1 ZINC000178972834 426727994 /nfs/dbraw/zinc/72/79/94/426727994.db2.gz IRPFKPPWGOLKHY-UHFFFAOYSA-N 2 0 302.462 2.915 20 0 DFADRP C[C@H]1C[C@H]([N@H+](C)CC2CC[NH2+]CC2)CCN1Cc1ccccc1 ZINC000178981112 426729698 /nfs/dbraw/zinc/72/96/98/426729698.db2.gz LEVKKLICUPPOLG-FXAWDEMLSA-N 2 0 315.505 2.971 20 0 DFADRP C[N@@H+]1CC[C@H]2[C@@H](CCCN2Cc2cnn(Cc3ccccc3)c2)C1 ZINC000290343636 426745586 /nfs/dbraw/zinc/74/55/86/426745586.db2.gz FPIMDPQJBBLTEF-PMACEKPBSA-N 2 0 324.472 2.848 20 0 DFADRP CC1CCC2(CC1)OC[C@H](C[NH2+][C@@H]1C[C@@H](C)[N@H+](C)C[C@H]1C)O2 ZINC000245565498 426753908 /nfs/dbraw/zinc/75/39/08/426753908.db2.gz PPKNLAVFZBJNNY-KIJWCHNMSA-N 2 0 310.482 2.627 20 0 DFADRP CC(C)[NH+]1CCC(N[C@H](C)C[N@H+](C)Cc2ccccc2)CC1 ZINC000290410810 426757958 /nfs/dbraw/zinc/75/79/58/426757958.db2.gz UFLDLXWHJSJNHL-QGZVFWFLSA-N 2 0 303.494 2.969 20 0 DFADRP COc1cc(C[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@H+]3C)cc(OC)c1O ZINC000290423262 426763135 /nfs/dbraw/zinc/76/31/35/426763135.db2.gz RECFIAJONLKWQD-GOOCMWNKSA-N 2 0 320.433 2.514 20 0 DFADRP C[C@@H](CCN1CC[NH+](C)CC1)[NH2+]Cc1cccc(Cl)c1F ZINC000274415728 426763645 /nfs/dbraw/zinc/76/36/45/426763645.db2.gz FUJZARSKQUFCFK-ZDUSSCGKSA-N 2 0 313.848 2.595 20 0 DFADRP C[C@@H]1CCC[N@H+](Cc2ccc(NC(=O)[C@H]3CCC[NH2+]C3)cc2)C1 ZINC000246242357 426812497 /nfs/dbraw/zinc/81/24/97/426812497.db2.gz IWPKRASTKNEBTJ-WBVHZDCISA-N 2 0 315.461 2.857 20 0 DFADRP CC(C)C[N@@H+]1CCC[C@H](CNC(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC000246302945 426818239 /nfs/dbraw/zinc/81/82/39/426818239.db2.gz ARRADPMDIJOXLM-ZWKOTPCHSA-N 2 0 323.525 2.735 20 0 DFADRP C[C@H]([NH2+]C[C@@H]1CCC[C@H]1O)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000274941689 426857527 /nfs/dbraw/zinc/85/75/27/426857527.db2.gz SZXHEBRXCKNBGO-GDAAHCPNSA-N 2 0 302.462 2.648 20 0 DFADRP C[N@@H+]1CCN(CC[NH2+]Cc2sccc2Cl)CC1(C)C ZINC000282222237 426857581 /nfs/dbraw/zinc/85/75/81/426857581.db2.gz DZJCDRYQOBWWPU-UHFFFAOYSA-N 2 0 301.887 2.517 20 0 DFADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]C[C@@H]1CCN(C)c2ccccc21 ZINC000180018410 426831011 /nfs/dbraw/zinc/83/10/11/426831011.db2.gz FXXKUNFKFZSSHF-CBZIJGRNSA-N 2 0 301.478 2.928 20 0 DFADRP C[C@H]1C[C@@H](c2ccccc2)C[C@@H]([NH2+]C[C@](C)(O)C[NH+](C)C)C1 ZINC000246420127 426832558 /nfs/dbraw/zinc/83/25/58/426832558.db2.gz NCKSTPOKQKFMFH-NQYYFHDYSA-N 2 0 304.478 2.861 20 0 DFADRP CC[N@@H+]1CC[C@H]([NH2+]CC[C@@H](C)NC(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000246441792 426833052 /nfs/dbraw/zinc/83/30/52/426833052.db2.gz OPDUZRMXADZZNK-ZNMIVQPWSA-N 2 0 313.486 2.610 20 0 DFADRP COC(=O)c1ccccc1CC[N@H+](C)C1CC[NH+](C(C)C)CC1 ZINC000274774972 426833994 /nfs/dbraw/zinc/83/39/94/426833994.db2.gz IQAVKKRZZPHWPI-UHFFFAOYSA-N 2 0 318.461 2.820 20 0 DFADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1N[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000246460380 426834141 /nfs/dbraw/zinc/83/41/41/426834141.db2.gz YVZJAPUXWUBQST-FPAYPSAMSA-N 2 0 301.478 2.579 20 0 DFADRP CCC(C)(C)[NH2+][C@H](C)C(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccccc1 ZINC000274797530 426839085 /nfs/dbraw/zinc/83/90/85/426839085.db2.gz MNCZHNHWYFFKIA-OIISXLGYSA-N 2 0 317.477 2.715 20 0 DFADRP CC(C)[N@H+](C)Cc1cccc(CNC(=O)[C@H]2CCC[C@@H]([NH3+])C2)c1 ZINC000246510719 426841435 /nfs/dbraw/zinc/84/14/35/426841435.db2.gz QNPQXRZLTSXLGX-ZWKOTPCHSA-N 2 0 317.477 2.661 20 0 DFADRP CC(C)(CC[NH+]1CCCCCC1)[NH2+]Cc1ccc(C(N)=O)cc1 ZINC000274817633 426844403 /nfs/dbraw/zinc/84/44/03/426844403.db2.gz ROJOJCPNRFBASF-UHFFFAOYSA-N 2 0 317.477 2.920 20 0 DFADRP COC1(C[NH2+][C@@H](C)c2ccc(OCC[NH+](C)C)cc2)CCC1 ZINC000180196232 426845127 /nfs/dbraw/zinc/84/51/27/426845127.db2.gz YDATUJPKPPNEPA-HNNXBMFYSA-N 2 0 306.450 2.847 20 0 DFADRP C[C@@H]1CCC[N@H+](Cc2ccc(NC(=O)C[C@H]3CCC[NH2+]3)cc2)C1 ZINC000246567526 426845423 /nfs/dbraw/zinc/84/54/23/426845423.db2.gz USUFEUTZHIQDNX-CRAIPNDOSA-N 2 0 315.461 2.999 20 0 DFADRP CCO[C@@H](CC[NH+](C)C)C[NH2+][C@@H]1Cc2[nH]c3ccccc3c2C1 ZINC000282205325 426853839 /nfs/dbraw/zinc/85/38/39/426853839.db2.gz HCCDINCSTPMMOU-GJZGRUSLSA-N 2 0 315.461 2.582 20 0 DFADRP C[C@H](O)c1ncc(C[NH2+]Cc2cccc(C[NH+](C)C)c2)s1 ZINC000290556258 426792363 /nfs/dbraw/zinc/79/23/63/426792363.db2.gz ZHXZIXGEYQOZFF-LBPRGKRZSA-N 2 0 305.447 2.548 20 0 DFADRP [NH3+]C[C@@H]1CCC[C@H]1NC[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000309639292 426915956 /nfs/dbraw/zinc/91/59/56/426915956.db2.gz BBTSYJRKCFKUAA-CEXWTWQISA-N 2 0 301.478 2.616 20 0 DFADRP Cc1ccn(-c2ccccc2C[NH2+][C@@H]2C[C@@H](C)[N@@H+](C)C[C@H]2C)n1 ZINC000247259863 426919311 /nfs/dbraw/zinc/91/93/11/426919311.db2.gz ROIGBNSOMXBDKS-QGPMSJSTSA-N 2 0 312.461 2.999 20 0 DFADRP O[C@H](C[NH2+]CCCCCOc1ccccc1)C[NH+]1CCCCC1 ZINC000275797362 426921761 /nfs/dbraw/zinc/92/17/61/426921761.db2.gz OINVRHPOFQGOAN-GOSISDBHSA-N 2 0 320.477 2.672 20 0 DFADRP C[C@H]([NH2+]CCN1CC[N@H+](C)C(C)(C)C1)[C@@H](C)c1ccccc1 ZINC000282237968 426859596 /nfs/dbraw/zinc/85/95/96/426859596.db2.gz IYBCASZMQNVFGD-SJORKVTESA-N 2 0 303.494 2.794 20 0 DFADRP C[C@]1(c2ccccc2)CC[C@H]([NH2+][C@H]2CCCN(CCCO)C2)C1 ZINC000295205908 426862232 /nfs/dbraw/zinc/86/22/32/426862232.db2.gz ZHRWFDOEFRUYLP-UFYCRDLUSA-N 2 0 316.489 2.933 20 0 DFADRP C[C@@H]([NH2+][C@H]1CC[C@H](CO)CC1)c1cccc(OCC[NH+](C)C)c1 ZINC000246838133 426870015 /nfs/dbraw/zinc/87/00/15/426870015.db2.gz BLLOVNKCNNAGKD-JFIYKMOQSA-N 2 0 320.477 2.829 20 0 DFADRP Cc1nccn1C[C@H]1CCC[N@@H+]1CCOCC(F)(F)C(F)F ZINC000189509978 426873981 /nfs/dbraw/zinc/87/39/81/426873981.db2.gz NCOCPJWTHCKUDF-GFCCVEGCSA-N 2 0 323.334 2.573 20 0 DFADRP CSC[C@](C)(O)C[NH2+]C1CC[NH+]([C@@H]2CCCC[C@H]2C)CC1 ZINC000305127747 426884985 /nfs/dbraw/zinc/88/49/85/426884985.db2.gz LUBMQLQFESLRQN-DJIMGWMZSA-N 2 0 314.539 2.733 20 0 DFADRP C[C@H]1CCC[C@@](CNC(=O)CC2C[C@H]3CC[C@@H](C2)[NH2+]3)([NH+](C)C)C1 ZINC000246987297 426890091 /nfs/dbraw/zinc/89/00/91/426890091.db2.gz QODSKOJTYPTMGA-WUZPBBLESA-N 2 0 321.509 2.534 20 0 DFADRP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@@H]2c3ccccc3C[C@H]2C)CC1 ZINC000247112000 426904755 /nfs/dbraw/zinc/90/47/55/426904755.db2.gz TVZFXQGEEAYVIW-HLIPFELVSA-N 2 0 315.505 2.783 20 0 DFADRP COc1ccc(C[C@H](C)C[N@H+](C)C[C@H]2CC[NH+](C)C2)cc1F ZINC000275733554 426907962 /nfs/dbraw/zinc/90/79/62/426907962.db2.gz PDEXSHFAEQLBCQ-HOCLYGCPSA-N 2 0 308.441 2.896 20 0 DFADRP CC[NH+](CC)[C@@H](CNC(=O)C[C@H]([NH3+])C(C)C)c1ccccc1 ZINC000316752929 426948836 /nfs/dbraw/zinc/94/88/36/426948836.db2.gz FENQYDLVHXCORH-IRXDYDNUSA-N 2 0 305.466 2.559 20 0 DFADRP CC(C)C[C@H](C[NH3+])CC(=O)NC[C@@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC000316745269 426950117 /nfs/dbraw/zinc/95/01/17/426950117.db2.gz LKBFZCIBEJHRLL-SOLBZPMBSA-N 2 0 311.514 2.624 20 0 DFADRP COc1ccc2c(c1)C[C@H]([NH2+][C@H]1CC[N@@H+]3CCC[C@H]3C1)CC2 ZINC000317064274 426954941 /nfs/dbraw/zinc/95/49/41/426954941.db2.gz YRSNSZRSAYXDAA-SQNIBIBYSA-N 2 0 300.446 2.769 20 0 DFADRP C[C@@H]1C[C@H](N[C@H](C[NH+]2CCCC2)c2ccccc2)CC[N@@H+]1C ZINC000248043562 426974365 /nfs/dbraw/zinc/97/43/65/426974365.db2.gz UIOLLRAPUQZPBS-BHIYHBOVSA-N 2 0 301.478 2.896 20 0 DFADRP CCO[C@@H]1C[C@@H]([NH2+]CCCC[N@@H+]2CCC[C@@H]2CO)C12CCCC2 ZINC000181733607 426976880 /nfs/dbraw/zinc/97/68/80/426976880.db2.gz PSLZIINEUDTFMR-KZNAEPCWSA-N 2 0 324.509 2.551 20 0 DFADRP CC[C@H]1CCCC[C@@H]1[NH2+]Cc1cccnc1N1CC[NH+](C)CC1 ZINC000181743157 426980366 /nfs/dbraw/zinc/98/03/66/426980366.db2.gz BVOQVMYFORIQNI-WMZOPIPTSA-N 2 0 316.493 2.892 20 0 DFADRP Cc1cccc(N2CC[NH+](CCCC3CC[NH2+]CC3)CC2)c1 ZINC000315015789 426935872 /nfs/dbraw/zinc/93/58/72/426935872.db2.gz HNZMPVANARMHEN-UHFFFAOYSA-N 2 0 301.478 2.897 20 0 DFADRP CCC[C@@H](C(=O)OCC)[N@@H+]1CC[C@@H](CNc2cccc(C)[nH+]2)C1 ZINC000247399585 426936003 /nfs/dbraw/zinc/93/60/03/426936003.db2.gz REIONPZZMFZYTG-HOTGVXAUSA-N 2 0 319.449 2.856 20 0 DFADRP CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)c1sccc1C[NH+](C)C ZINC000268183741 426942952 /nfs/dbraw/zinc/94/29/52/426942952.db2.gz WOYWSSYAZUCHFS-HNNXBMFYSA-N 2 0 323.506 2.756 20 0 DFADRP C[C@@H]1C[C@H](NCc2cccc(OCC[NH+](C)C)c2)c2nccn21 ZINC000296054580 427060653 /nfs/dbraw/zinc/06/06/53/427060653.db2.gz RIVDXLIWPCKCHS-PBHICJAKSA-N 2 0 314.433 2.619 20 0 DFADRP CC(C)[N@@H+](C)C[C@@H](C)NC(=O)c1cccc(C[NH+]2CCCC2)c1 ZINC000291904894 427023613 /nfs/dbraw/zinc/02/36/13/427023613.db2.gz NFFHXNDXDTYBOH-MRXNPFEDSA-N 2 0 317.477 2.741 20 0 DFADRP C[C@@H]1CN(Cc2ccccc2)C[C@H]1[NH2+]CC1(CO)CCCC1 ZINC000248640243 427027579 /nfs/dbraw/zinc/02/75/79/427027579.db2.gz NNFYUQWXGZXEET-SJLPKXTDSA-N 2 0 302.462 2.649 20 0 DFADRP Cc1cc(N2CC[N@@H+](C[C@H](C)O)C[C@@H]2C)c2cc(F)ccc2[nH+]1 ZINC000248661478 427029231 /nfs/dbraw/zinc/02/92/31/427029231.db2.gz FOCMSYFSWDEGML-KBPBESRZSA-N 2 0 317.408 2.574 20 0 DFADRP CCC[C@H](C(=O)NCC(C)(C)[N@@H+]1CCC[C@@H](CC)C1)[NH+](C)C ZINC000337903488 427030110 /nfs/dbraw/zinc/03/01/10/427030110.db2.gz LAVNVRMKBZHLEY-HZPDHXFCSA-N 2 0 311.514 2.734 20 0 DFADRP O[C@H](CCc1ccccc1)C[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000182414054 427072996 /nfs/dbraw/zinc/07/29/96/427072996.db2.gz LTJZAKCUCRPPCO-WOJBJXKFSA-N 2 0 316.489 2.788 20 0 DFADRP Cc1ccc(CN(C)C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)o1 ZINC000190319954 427073677 /nfs/dbraw/zinc/07/36/77/427073677.db2.gz HPGUALYANVCDFA-LJQANCHMSA-N 2 0 314.429 2.657 20 0 DFADRP C[NH+]1CCN(c2ccc(C[NH2+][C@@H]3CC[C@@H]3C3CCC3)cn2)CC1 ZINC000338005197 427086558 /nfs/dbraw/zinc/08/65/58/427086558.db2.gz WVWJQQAPDKKGAO-QZTJIDSGSA-N 2 0 314.477 2.502 20 0 DFADRP COCCC[NH+]1CCC([NH2+][C@@H]2CCC[C@@H]2CCCF)CC1 ZINC000338003425 427087296 /nfs/dbraw/zinc/08/72/96/427087296.db2.gz WIVHSYDZVUPEHW-NVXWUHKLSA-N 2 0 300.462 2.995 20 0 DFADRP C[NH+]1CCN(c2ccc(C[NH2+][C@@H]3CC[C@H]3C3CCC3)cn2)CC1 ZINC000338005199 427087992 /nfs/dbraw/zinc/08/79/92/427087992.db2.gz WVWJQQAPDKKGAO-ZWKOTPCHSA-N 2 0 314.477 2.502 20 0 DFADRP Cc1ccc(NC(=O)C[C@H]2CCCC[C@H]2[NH3+])c(C[NH+](C)C)c1 ZINC000296157230 427094216 /nfs/dbraw/zinc/09/42/16/427094216.db2.gz WILHOGWOARLYSZ-GDBMZVCRSA-N 2 0 303.450 2.903 20 0 DFADRP C[C@H]1C[C@H](NCC(C)(C)[NH+](C)C)CC[N@@H+]1Cc1ccccc1 ZINC000268701099 427094388 /nfs/dbraw/zinc/09/43/88/427094388.db2.gz FPSVIKRINAQEDY-FUHWJXTLSA-N 3 0 303.494 2.969 20 0 DFADRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@@H]1CCCc2ccc(O)cc21 ZINC000283916463 427099412 /nfs/dbraw/zinc/09/94/12/427099412.db2.gz DODSDIPLUAQZNJ-SJLPKXTDSA-N 2 0 306.450 2.716 20 0 DFADRP CC[N@@H+]1CC[C@H](N[C@@H]2CC[NH+](Cc3ccccc3)C2)[C@H](C)C1 ZINC000268719827 427102115 /nfs/dbraw/zinc/10/21/15/427102115.db2.gz NYKITJOEFAYQHA-QRQLOZEOSA-N 2 0 301.478 2.581 20 0 DFADRP CC[N@@H+]1CC[C@H](N[C@H]2CC[NH+](Cc3ccccc3)C2)[C@H](C)C1 ZINC000268719826 427102488 /nfs/dbraw/zinc/10/24/88/427102488.db2.gz NYKITJOEFAYQHA-NEWSRXKRSA-N 2 0 301.478 2.581 20 0 DFADRP CC[NH+](CC)CCC[NH2+][C@H](C)Cc1ccc(OC)c(OC)c1 ZINC000268724553 427103050 /nfs/dbraw/zinc/10/30/50/427103050.db2.gz IVOJMHHRROFPPJ-OAHLLOKOSA-N 2 0 308.466 2.956 20 0 DFADRP C[C@@H]1CC[C@H](C)[N@H+](CC(=O)NC[C@H](c2ccccc2)[NH+](C)C)C1 ZINC000249357553 427110475 /nfs/dbraw/zinc/11/04/75/427110475.db2.gz RTAYCSFJPGMDCC-SOLBZPMBSA-N 2 0 317.477 2.526 20 0 DFADRP C[C@@H](C(=O)N1CC[NH+](CCC(C)(C)C)CC1)[NH+]1[C@H](C)CC[C@H]1C ZINC000338046938 427112360 /nfs/dbraw/zinc/11/23/60/427112360.db2.gz MTRHFACYQPKOSO-ZACQAIPSSA-N 2 0 323.525 2.828 20 0 DFADRP C[C@H]([NH2+]CCC[N@H+](C)Cc1ccccc1)C(C)(C)n1cncn1 ZINC000283993321 427116059 /nfs/dbraw/zinc/11/60/59/427116059.db2.gz HLTDWNSMERFFCB-INIZCTEOSA-N 2 0 315.465 2.513 20 0 DFADRP Fc1cccc(OC(F)(F)F)c1C[NH2+]CCn1ccnc1 ZINC000284014994 427118972 /nfs/dbraw/zinc/11/89/72/427118972.db2.gz QELJRAYVVSOSEW-UHFFFAOYSA-N 2 0 303.259 2.711 20 0 DFADRP C[C@H](N[C@H]1CC[N@@H+]2CCCC[C@@H]12)c1ccc(-n2cncn2)cc1 ZINC000268796226 427120055 /nfs/dbraw/zinc/12/00/55/427120055.db2.gz WRUVVKHWOHSHKT-WBAXXEDZSA-N 2 0 311.433 2.545 20 0 DFADRP CNC(=O)C[C@@H](C)[NH2+]Cc1ccccc1C[N@@H+]1CCC[C@H](C)C1 ZINC000268802787 427122552 /nfs/dbraw/zinc/12/25/52/427122552.db2.gz HXFRMGPBLKINQV-JKSUJKDBSA-N 2 0 317.477 2.533 20 0 DFADRP C[NH+](C)CCC1CC[NH+](CCN2CCc3ccccc32)CC1 ZINC000292193112 427126316 /nfs/dbraw/zinc/12/63/16/427126316.db2.gz OAPKNFKWVYAFQO-UHFFFAOYSA-N 2 0 301.478 2.713 20 0 DFADRP CO[C@H](C)[C@@H](C)[NH2+]CCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000268830259 427132413 /nfs/dbraw/zinc/13/24/13/427132413.db2.gz WCWYWGDNICSJBD-QZTJIDSGSA-N 2 0 319.493 2.602 20 0 DFADRP C[C@H](CC(C)(C)O)[NH2+][C@@H](C)c1ccc(OCC[NH+](C)C)cc1 ZINC000296295562 427139904 /nfs/dbraw/zinc/13/99/04/427139904.db2.gz FPZZMDILQSFGQD-CABCVRRESA-N 2 0 308.466 2.827 20 0 DFADRP OC[C@@H]1CCC[N@@H+]1CCCC[NH2+][C@@H]1CCCOc2ccccc21 ZINC000268966868 427141991 /nfs/dbraw/zinc/14/19/91/427141991.db2.gz YPNUNSOHHXCEJZ-FUHWJXTLSA-N 2 0 318.461 2.727 20 0 DFADRP C[C@@H]1CCC[N@H+](CCCCNC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC000284179271 427148397 /nfs/dbraw/zinc/14/83/97/427148397.db2.gz XVLPFBQGIDOVQM-OAHLLOKOSA-N 2 0 314.433 2.576 20 0 DFADRP C[C@@H](c1ccc([S@@](C)=O)cc1)[N@H+](C)CCCn1ccnc1 ZINC000182812479 427149167 /nfs/dbraw/zinc/14/91/67/427149167.db2.gz FSSIMIGJXHNJRY-LHSJRXKWSA-N 2 0 305.447 2.704 20 0 DFADRP CCC[NH2+][C@@H](C)C(=O)NCc1ccccc1C[N@H+](C)C(C)C ZINC000296355192 427156245 /nfs/dbraw/zinc/15/62/45/427156245.db2.gz JDHAURWLLHYENH-HNNXBMFYSA-N 2 0 305.466 2.531 20 0 DFADRP CC[C@H]([NH3+])C(=O)NCC1([NH2+][C@H](C)c2ccccc2)CCCC1 ZINC000269269872 427157395 /nfs/dbraw/zinc/15/73/95/427157395.db2.gz RUCALALMYOYLAG-ZBFHGGJFSA-N 2 0 303.450 2.504 20 0 DFADRP [NH3+]CCCC(=O)NC[C@H]1CCCC[N@@H+]1Cc1cccc(Cl)c1 ZINC000269279653 427159567 /nfs/dbraw/zinc/15/95/67/427159567.db2.gz ZULLJFJFOGPUMQ-MRXNPFEDSA-N 2 0 323.868 2.550 20 0 DFADRP C[C@@H](C[NH2+][C@@H](C)c1cc2ccccc2o1)CN1CC[NH+](C)CC1 ZINC000121065141 271017392 /nfs/dbraw/zinc/01/73/92/271017392.db2.gz JDZPFRMNJBAFHE-HOTGVXAUSA-N 2 0 315.461 2.967 20 0 DFADRP C[C@@H](c1ccc(-n2cncn2)cc1)[N@H+](C)CC[C@@H]1CCC[NH+]1C ZINC000124730234 271028452 /nfs/dbraw/zinc/02/84/52/271028452.db2.gz AXWUEFVYPVULAQ-RDJZCZTQSA-N 2 0 313.449 2.744 20 0 DFADRP C[N@@H+]1CCC[C@H]2C[NH+](Cc3ccc(-n4cccn4)cc3)CC[C@@H]21 ZINC000158528882 271075783 /nfs/dbraw/zinc/07/57/83/271075783.db2.gz LWQYLQOBSVKJIO-HKUYNNGSSA-N 2 0 310.445 2.788 20 0 DFADRP COc1ccc2c(c1)C[C@@H]([NH2+]C[C@@H](C)C[NH+]1CCCC1)CC2 ZINC000162602520 271085518 /nfs/dbraw/zinc/08/55/18/271085518.db2.gz CIEQWQVUBWLBIU-QAPCUYQASA-N 2 0 302.462 2.874 20 0 DFADRP CC(C)[C@@](C)(CNC(=O)OC(C)(C)C)[NH2+]CCCn1ccnc1 ZINC000182911083 427167009 /nfs/dbraw/zinc/16/70/09/427167009.db2.gz ORUKGHKVCYNDPT-QGZVFWFLSA-N 2 0 324.469 2.802 20 0 DFADRP CCC[NH+]1CCC([NH2+]C[C@H](CC)NC(=O)OC(C)(C)C)CC1 ZINC000227716559 271238548 /nfs/dbraw/zinc/23/85/48/271238548.db2.gz KNEFTWIXICAOOF-AWEZNQCLSA-N 2 0 313.486 2.754 20 0 DFADRP C[C@@H]1C[C@H]([NH2+]CC2(NC(=O)OC(C)(C)C)CCC2)CC[N@@H+]1C ZINC000230406487 271238601 /nfs/dbraw/zinc/23/86/01/271238601.db2.gz GFEZCKBHLUDBQD-ZIAGYGMSSA-N 2 0 311.470 2.506 20 0 DFADRP CC[NH+](CC)[C@H](CNC(=O)[C@@H](C[NH3+])c1ccccc1)CC(C)C ZINC000236878814 271241501 /nfs/dbraw/zinc/24/15/01/271241501.db2.gz WAXLIQDENLVJOH-ROUUACIJSA-N 2 0 319.493 2.602 20 0 DFADRP C[C@@H]1CCC[N@H+](Cc2ccc(CNC(=O)C(C)(C)C[NH3+])cc2)C1 ZINC000237552879 271250437 /nfs/dbraw/zinc/25/04/37/271250437.db2.gz VYKGTZYNWBTSEL-OAHLLOKOSA-N 2 0 317.477 2.520 20 0 DFADRP [NH3+]CC1(C(=O)NC[C@@H](c2cccs2)[NH+]2CCCC2)CCCC1 ZINC000238054365 271256018 /nfs/dbraw/zinc/25/60/18/271256018.db2.gz MWJGVLXNMFQXND-AWEZNQCLSA-N 2 0 321.490 2.520 20 0 DFADRP COc1ccc(C[N@@H+]2CC[C@@H](C3CC[NH+](C)CC3)C2)cc1F ZINC000270538881 271306596 /nfs/dbraw/zinc/30/65/96/271306596.db2.gz WSYXINQSGWDXMM-MRXNPFEDSA-N 2 0 306.425 2.998 20 0 DFADRP CC(C)[C@@H](C[NH2+]C[C@@H](C)CN1CC[NH+](C)CC1)c1ccccc1 ZINC000280797610 271327021 /nfs/dbraw/zinc/32/70/21/271327021.db2.gz GZYNDRHMKZFRJA-UYAOXDASSA-N 2 0 317.521 2.899 20 0 DFADRP C[NH+](C)CCOc1ccccc1C[NH2+][C@@H]1CCOC2(CCC2)C1 ZINC000296397950 427170058 /nfs/dbraw/zinc/17/00/58/427170058.db2.gz LJKKIHBSTZEIJJ-QGZVFWFLSA-N 2 0 318.461 2.818 20 0 DFADRP CC(C)c1nc([C@@H]2CCC[N@H+](CC[C@@H]3CCC[NH2+]C3)C2)no1 ZINC000333639033 271381950 /nfs/dbraw/zinc/38/19/50/271381950.db2.gz HVWBWCNWFZXPLD-LSDHHAIUSA-N 2 0 306.454 2.762 20 0 DFADRP C/C(=C/c1ccc(Cl)cc1)C[NH2+]CC1(O)CC[NH+](C)CC1 ZINC000338177805 427175108 /nfs/dbraw/zinc/17/51/08/427175108.db2.gz CFVWGWQQHYKCHD-KAMYIIQDSA-N 2 0 308.853 2.790 20 0 DFADRP C[N@H+](CCCN1CC[NH+](C)CC1)[C@H]1CCc2c1cccc2Cl ZINC000182960180 427176133 /nfs/dbraw/zinc/17/61/33/427176133.db2.gz QKWKMZDDPDIQOX-SFHVURJKSA-N 2 0 321.896 2.897 20 0 DFADRP Cc1cc(N2CC[C@H]3OCC[N@@H+](C)[C@H]3C2)c2cc(F)ccc2[nH+]1 ZINC000284429724 427193565 /nfs/dbraw/zinc/19/35/65/427193565.db2.gz DAJXKDKFCXXNJY-ZWKOTPCHSA-N 2 0 315.392 2.592 20 0 DFADRP C[NH+]1CCN(CC[C@@H]2CCCC[N@H+]2C)C[C@H]1Cc1ccccc1 ZINC000284681270 427197538 /nfs/dbraw/zinc/19/75/38/427197538.db2.gz GXXGDZLXLUWOQN-VQTJNVASSA-N 2 0 315.505 2.720 20 0 DFADRP C[C@H](CC(C)(C)O)[NH2+][C@@H](C)c1cccc(OCC[NH+](C)C)c1 ZINC000296486213 427198392 /nfs/dbraw/zinc/19/83/92/427198392.db2.gz OLEWEPMVOPLLOD-CABCVRRESA-N 2 0 308.466 2.827 20 0 DFADRP CCC[NH+](CCC)CCCNC(=O)C[C@@H]([NH3+])c1ccccc1 ZINC000269483448 427207083 /nfs/dbraw/zinc/20/70/83/427207083.db2.gz GLNXRZCKRRCIEV-QGZVFWFLSA-N 2 0 305.466 2.705 20 0 DFADRP CC(C)(O)CC[N@@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000285368414 427209761 /nfs/dbraw/zinc/20/97/61/427209761.db2.gz ATPJBSNWTBYEFG-IBGZPJMESA-N 2 0 302.462 2.745 20 0 DFADRP CC[C@H]([NH2+]CC1CCN(c2cc[nH+]cc2)CC1)c1nccn1C ZINC000183160677 427214706 /nfs/dbraw/zinc/21/47/06/427214706.db2.gz RZZGJVNJOJHVKQ-KRWDZBQOSA-N 2 0 313.449 2.772 20 0 DFADRP Cc1cnn(C)c1C[NH2+]CC1CC[NH+](Cc2ccccc2)CC1 ZINC000285395796 427220869 /nfs/dbraw/zinc/22/08/69/427220869.db2.gz HVVYDBMBIFWIRA-UHFFFAOYSA-N 2 0 312.461 2.730 20 0 DFADRP C[C@H]([NH3+])CCC(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC000277511675 427226937 /nfs/dbraw/zinc/22/69/37/427226937.db2.gz QZNOKXLZQAMZAB-HNNXBMFYSA-N 2 0 303.450 2.781 20 0 DFADRP C[N@H+](CCN1CC[C@]2(C1)CCC[NH+](C)C2)Cc1ccccc1 ZINC000296709460 427230421 /nfs/dbraw/zinc/23/04/21/427230421.db2.gz LUFNRHRSIMNKDJ-LJQANCHMSA-N 2 0 301.478 2.536 20 0 DFADRP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@@H+]2C[C@H]1CCCC(F)(F)C1 ZINC000338284020 427234529 /nfs/dbraw/zinc/23/45/29/427234529.db2.gz JBYROFVWVCECCE-ZJIFWQFVSA-N 2 0 316.436 2.995 20 0 DFADRP COCC[N@H+](C)CCCC1CC[NH+](C[C@H]2CC[C@@H](C)O2)CC1 ZINC000191028975 427235940 /nfs/dbraw/zinc/23/59/40/427235940.db2.gz OBFSGRNSAAKTIS-SJLPKXTDSA-N 2 0 312.498 2.624 20 0 DFADRP Cn1cncc1[C@H]1C[C@@H]([NH2+]Cc2cccc(O)c2Cl)CCO1 ZINC000293200340 427244414 /nfs/dbraw/zinc/24/44/14/427244414.db2.gz IQHNXWNHABHSQH-SWLSCSKDSA-N 2 0 321.808 2.789 20 0 DFADRP Cc1nc(C(C)C)ccc1CN1CCC([N@H+](C)CCCO)CC1 ZINC000293201795 427244509 /nfs/dbraw/zinc/24/45/09/427244509.db2.gz UJIHTQABFRSTRK-UHFFFAOYSA-N 2 0 319.493 2.792 20 0 DFADRP CC[NH+](CC)[C@@H](C(=O)NCC1(C)CC[NH2+]CC1)c1ccccc1 ZINC000183313112 427245432 /nfs/dbraw/zinc/24/54/32/427245432.db2.gz CCFFVWBDLBSUJR-QGZVFWFLSA-N 2 0 317.477 2.575 20 0 DFADRP CC[NH+]1CCN([C@@H]2CC[N@H+](C[C@H]3CCCC(F)(F)C3)C2)CC1 ZINC000338309201 427251593 /nfs/dbraw/zinc/25/15/93/427251593.db2.gz UPXWSAMCPRZNPY-JKSUJKDBSA-N 2 0 315.452 2.524 20 0 DFADRP CC[NH+](CC)Cc1ccc(C(=O)NCC2CC[NH+](C)CC2)cc1 ZINC000337588948 271511135 /nfs/dbraw/zinc/51/11/35/271511135.db2.gz MEYUWEUUYYCAIW-UHFFFAOYSA-N 2 0 317.477 2.600 20 0 DFADRP C[C@H]([NH2+]CCC[NH+]1CCCC1)c1ccc(C(=O)N(C)C)cc1 ZINC000293308050 427282915 /nfs/dbraw/zinc/28/29/15/427282915.db2.gz IBUZCZJWFNCNHM-HNNXBMFYSA-N 2 0 303.450 2.525 20 0 DFADRP CC(C)[N@H+](CC[C@H]1CCC[NH+]1C)C[C@H](O)COc1ccccc1 ZINC000277776623 427315987 /nfs/dbraw/zinc/31/59/87/427315987.db2.gz LWKVYPLUXUHZSW-MSOLQXFVSA-N 2 0 320.477 2.621 20 0 DFADRP CC[N@@H+]1CC[C@H](C[NH2+][C@H](C)Cc2ccc(OC)c(OC)c2C)C1 ZINC000285744906 427326916 /nfs/dbraw/zinc/32/69/16/427326916.db2.gz RIZZBIQRGBBLIU-GDBMZVCRSA-N 2 0 320.477 2.875 20 0 DFADRP CC[NH+]1CCN(c2ccc(C[NH2+]CCCC(C)C)cn2)CC1 ZINC000338450176 427331106 /nfs/dbraw/zinc/33/11/06/427331106.db2.gz CTCGURNWPBYISO-UHFFFAOYSA-N 2 0 304.482 2.749 20 0 DFADRP C[N@H+](CCC(=O)Nc1ccc(Cl)cc1)C[C@H]1CC[NH+](C)C1 ZINC000277825919 427333589 /nfs/dbraw/zinc/33/35/89/427333589.db2.gz LFQLXJBYRPZCIN-ZDUSSCGKSA-N 2 0 309.841 2.552 20 0 DFADRP C[C@@H](c1ccc2ccccc2c1)[N@@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000261970066 427347280 /nfs/dbraw/zinc/34/72/80/427347280.db2.gz YVRCVRMYCMHWHP-JXFKEZNVSA-N 2 0 309.457 2.880 20 0 DFADRP C[C@]1(C[N@@H+]2CCC[C@H]2c2ccc3c(c2)OCCO3)CC[NH2+]C1 ZINC000262107666 427349500 /nfs/dbraw/zinc/34/95/00/427349500.db2.gz WEIMWFLUMREVIF-YJBOKZPZSA-N 2 0 302.418 2.594 20 0 DFADRP C[C@H]([NH2+]C[C@H]1CC[N@@H+](C2CC2)C1)c1ccc(C(=O)N(C)C)cc1 ZINC000293519321 427350901 /nfs/dbraw/zinc/35/09/01/427350901.db2.gz UGFZDAXQIVJSAP-LSDHHAIUSA-N 2 0 315.461 2.523 20 0 DFADRP CC[C@@](C)(O)C[N@@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000285612306 427288602 /nfs/dbraw/zinc/28/86/02/427288602.db2.gz QECQLIYQQNESFL-RTBURBONSA-N 2 0 302.462 2.745 20 0 DFADRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@@H]1CCc2c1c(F)ccc2F ZINC000269883836 427296319 /nfs/dbraw/zinc/29/63/19/427296319.db2.gz BEKZNYRYECDVOC-MLGOLLRUSA-N 2 0 312.404 2.899 20 0 DFADRP CC[N@H+](Cc1ccc(C(=O)N[C@@H]2CC[NH2+]C[C@@H]2C)cc1)C(C)C ZINC000262918386 427381335 /nfs/dbraw/zinc/38/13/35/427381335.db2.gz ZDPXCCJEOVJRGT-MAUKXSAKSA-N 2 0 317.477 2.645 20 0 DFADRP C[C@H](NCc1cn(C(C)(C)C)nn1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000191580164 427381752 /nfs/dbraw/zinc/38/17/52/427381752.db2.gz YBPXBIDFMASCBY-GJZGRUSLSA-N 2 0 319.497 2.776 20 0 DFADRP COCCOc1ccccc1CN1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000293619695 427383802 /nfs/dbraw/zinc/38/38/02/427383802.db2.gz KPZVXOMNEUGSFH-IBGZPJMESA-N 2 0 318.461 2.630 20 0 DFADRP CC[C@]1(C(=O)Nc2cc(C[NH3+])cc(C(F)(F)F)c2)CCC[NH2+]1 ZINC000262961572 427384772 /nfs/dbraw/zinc/38/47/72/427384772.db2.gz KIACETWPOXWHNT-CQSZACIVSA-N 2 0 315.339 2.635 20 0 DFADRP CC1(C)C[C@@H]([NH2+][C@@H]2CCCN(CCCO)C2)c2ccccc21 ZINC000297292807 427389692 /nfs/dbraw/zinc/38/96/92/427389692.db2.gz LXBFGKRLQOUBCY-CRAIPNDOSA-N 2 0 302.462 2.845 20 0 DFADRP COC(=O)C(C)(C)CC[NH2+][C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000338571942 427389872 /nfs/dbraw/zinc/38/98/72/427389872.db2.gz NSAJQMMCEPEJOL-LSDHHAIUSA-N 2 0 310.482 2.818 20 0 DFADRP OC1CCC([NH2+]CC2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000285980932 427393378 /nfs/dbraw/zinc/39/33/78/427393378.db2.gz HQLKUBSRORUPMA-UHFFFAOYSA-N 2 0 302.462 2.792 20 0 DFADRP Cc1nccnc1CC[NH2+][C@H]1C[C@H](C)CN(Cc2ccccc2)C1 ZINC000293650380 427393819 /nfs/dbraw/zinc/39/38/19/427393819.db2.gz MZLARGOGEMVRJL-LPHOPBHVSA-N 2 0 324.472 2.828 20 0 DFADRP Cc1ncsc1CC[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000297326454 427401610 /nfs/dbraw/zinc/40/16/10/427401610.db2.gz DAMSKLRAACCMJI-UHFFFAOYSA-N 2 0 302.447 2.648 20 0 DFADRP C[N@H+](CCN1CC[C@H]([NH+]2CCCCC2)C1)Cc1ccccc1 ZINC000297349601 427401998 /nfs/dbraw/zinc/40/19/98/427401998.db2.gz BINVVHRZMSEOII-IBGZPJMESA-N 2 0 301.478 2.679 20 0 DFADRP COc1ccc([C@@H](C)[NH2+]CC2=CC[N@H+](C)CC2)c(C)c1OC ZINC000286014975 427402324 /nfs/dbraw/zinc/40/23/24/427402324.db2.gz IIRJZCGPCQCMRE-CQSZACIVSA-N 2 0 304.434 2.925 20 0 DFADRP [NH3+]CCN1CC[NH+](Cc2ccc(-c3cccc(F)c3)s2)CC1 ZINC000263073622 427407125 /nfs/dbraw/zinc/40/71/25/427407125.db2.gz WTLXKEZHEXQTFL-UHFFFAOYSA-N 2 0 319.449 2.631 20 0 DFADRP CC(C)COc1ccc(CN2CCC([N@H+](C)CCO)CC2)cc1 ZINC000271148634 427417661 /nfs/dbraw/zinc/41/76/61/427417661.db2.gz BZDQEFVKOAZYEF-UHFFFAOYSA-N 2 0 320.477 2.610 20 0 DFADRP C[NH+](C)CC1(C[NH2+]C2CCN(CC(F)(F)F)CC2)CCCC1 ZINC000183953417 427364071 /nfs/dbraw/zinc/36/40/71/427364071.db2.gz FSHPVWTWIPWRIG-UHFFFAOYSA-N 2 0 321.431 2.725 20 0 DFADRP CC[NH+](CC)C[C@@H](C)NC(=O)c1ccc(C[NH+]2CCCC2)cc1 ZINC000338536951 427366031 /nfs/dbraw/zinc/36/60/31/427366031.db2.gz NJWRYEMTQSLMLN-MRXNPFEDSA-N 2 0 317.477 2.743 20 0 DFADRP Cc1ccc([C@H](CCn2cncn2)[NH2+]C[C@@H](C)C[NH+](C)C)cc1 ZINC000293815303 427447741 /nfs/dbraw/zinc/44/77/41/427447741.db2.gz VURLOVYLFAAWDA-AEFFLSMTSA-N 2 0 315.465 2.505 20 0 DFADRP C[C@H]([NH2+][C@@H]1CCOC[C@H]1C)c1ccc(OCC[NH+](C)C)cc1 ZINC000278788925 427452019 /nfs/dbraw/zinc/45/20/19/427452019.db2.gz YPARTIQMDVFQCJ-RVKKMQEKSA-N 2 0 306.450 2.703 20 0 DFADRP CC(C)C[C@@H](CCO)C[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000297818571 427461118 /nfs/dbraw/zinc/46/11/18/427461118.db2.gz YRDYCBYUUBSEDQ-MRXNPFEDSA-N 2 0 305.466 2.685 20 0 DFADRP C=Cn1cc(CN[C@@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)cn1 ZINC000278857331 427479214 /nfs/dbraw/zinc/47/92/14/427479214.db2.gz LRSGNGAANJOXPN-LPHOPBHVSA-N 2 0 310.445 2.984 20 0 DFADRP C[C@@H]([NH3+])[C@@H](C)C(=O)NCc1cccc(C[NH+]2CCC(C)CC2)c1 ZINC000192104340 427480625 /nfs/dbraw/zinc/48/06/25/427480625.db2.gz VRBWDPIUNHAQSL-HZPDHXFCSA-N 2 0 317.477 2.518 20 0 DFADRP C[C@@H]([NH3+])[C@H](C)C(=O)NCc1ccccc1C[N@@H+]1CCC[C@@H](C)C1 ZINC000192094102 427481373 /nfs/dbraw/zinc/48/13/73/427481373.db2.gz YYEWCFHKQHCRAP-OWCLPIDISA-N 2 0 317.477 2.518 20 0 DFADRP c1ccc(C[N@@H+]2CC[C@@H](N3CC[NH+](C4CCCC4)CC3)C2)cc1 ZINC000271284253 427482110 /nfs/dbraw/zinc/48/21/10/427482110.db2.gz OPCNOHNOZZXCED-HXUWFJFHSA-N 2 0 313.489 2.821 20 0 DFADRP CC[C@H](O)C[NH2+][C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000293901318 427482402 /nfs/dbraw/zinc/48/24/02/427482402.db2.gz ZPUCCHXTVMXAMY-CADBVGFASA-N 2 0 302.462 2.648 20 0 DFADRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+][C@H](C)[C@H]1C[C@@H]1c1ccccc1 ZINC000338780586 427484145 /nfs/dbraw/zinc/48/41/45/427484145.db2.gz ZDYXUIQTVIIMCP-HNBVOPMISA-N 2 0 315.505 2.794 20 0 DFADRP COc1ccc2c(c1)C[C@H]([NH2+]Cc1ccc3c[nH+]cn3c1)CC2 ZINC000297649128 427419982 /nfs/dbraw/zinc/41/99/82/427419982.db2.gz XZGMKMGPLAHTKM-QGZVFWFLSA-N 2 0 307.397 2.990 20 0 DFADRP CC[NH+]1CCN([C@@H]2CC[N@H+](Cc3c(C)cccc3Cl)C2)CC1 ZINC000297669649 427424388 /nfs/dbraw/zinc/42/43/88/427424388.db2.gz ZRSCRQURPHIAKW-MRXNPFEDSA-N 2 0 321.896 2.860 20 0 DFADRP C[C@@H]1C[C@H]1c1ccc(C[NH2+]CCCC[N@@H+]2CCC[C@H]2CO)o1 ZINC000263164673 427427598 /nfs/dbraw/zinc/42/75/98/427427598.db2.gz PSLRVUXBDZFGFO-HLLBOEOZSA-N 2 0 306.450 2.730 20 0 DFADRP C[C@H]1C[C@H](CC[NH2+]C2CCN(c3cc[nH+]cc3)CC2)CCO1 ZINC000297698010 427432751 /nfs/dbraw/zinc/43/27/51/427432751.db2.gz QFOBWRPLHMJGPC-JKSUJKDBSA-N 2 0 303.450 2.845 20 0 DFADRP COCCOc1ccc(CN2CC[C@]3(C2)CCC[N@H+](C)C3)cc1 ZINC000293776020 427433082 /nfs/dbraw/zinc/43/30/82/427433082.db2.gz YYXVWKKUJGWGMC-LJQANCHMSA-N 2 0 318.461 2.630 20 0 DFADRP c1n[nH]cc1CC[N@@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000297714451 427436661 /nfs/dbraw/zinc/43/66/61/427436661.db2.gz RIGUVMOQVAXHMS-IBGZPJMESA-N 2 0 310.445 2.550 20 0 DFADRP C[C@H](CC[NH2+]C1CCN(c2cc[nH+]cc2)CC1)[NH+]1CCCCC1 ZINC000297762020 427447135 /nfs/dbraw/zinc/44/71/35/427447135.db2.gz UZIHCOJYIXNNKI-QGZVFWFLSA-N 3 0 316.493 2.905 20 0 DFADRP CC[N@H+]1C[C@H](N[C@@H](C[NH+](C)C)c2ccc(Cl)cc2)[C@@H](C)C1 ZINC000338794739 427493401 /nfs/dbraw/zinc/49/34/01/427493401.db2.gz RAQAJNARKJARSN-JQFCIGGWSA-N 2 0 309.885 2.873 20 0 DFADRP CCOc1cc(C[N@H+](C)[C@H]2CC[NH+](CC)C[C@H]2C)ccc1O ZINC000297990086 427496497 /nfs/dbraw/zinc/49/64/97/427496497.db2.gz YPRXNOLLAARTBO-ZBFHGGJFSA-N 2 0 306.450 2.953 20 0 DFADRP CCOc1cc(C[NH2+]CC2CC[NH+](C3CC3)CC2)ccc1O ZINC000298021753 427504960 /nfs/dbraw/zinc/50/49/60/427504960.db2.gz DSZZJPHZKIJIPA-UHFFFAOYSA-N 2 0 304.434 2.755 20 0 DFADRP C[C@H]([NH2+]CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C)C1CCCC1 ZINC000184687280 427518473 /nfs/dbraw/zinc/51/84/73/427518473.db2.gz IORBWWDVFIKCBP-YJBOKZPZSA-N 2 0 317.477 2.574 20 0 DFADRP c1n[nH]cc1CC[N@@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000298105341 427522346 /nfs/dbraw/zinc/52/23/46/427522346.db2.gz NUGFAVHAXHVFDX-UHFFFAOYSA-N 2 0 324.472 2.940 20 0 DFADRP COC(=O)C1CCC([NH2+]Cc2ccc(F)c(C[NH+](C)C)c2)CC1 ZINC000192442659 427540331 /nfs/dbraw/zinc/54/03/31/427540331.db2.gz WIUVODAKUOFOFU-UHFFFAOYSA-N 2 0 322.424 2.709 20 0 DFADRP Cc1n[nH]cc1C[NH2+][C@H](C)c1ccc(OCC[NH+](C)C)cc1 ZINC000271450597 427542204 /nfs/dbraw/zinc/54/22/04/427542204.db2.gz FRTIVNGSVICAMC-CYBMUJFWSA-N 2 0 302.422 2.509 20 0 DFADRP c1ccc(C[N@H+]2CC[C@H](N3CC[C@@H](C[NH+]4CCCC4)C3)C2)cc1 ZINC000271470968 427551685 /nfs/dbraw/zinc/55/16/85/427551685.db2.gz YYBFGNKKVBNROG-PMACEKPBSA-N 2 0 313.489 2.679 20 0 DFADRP CCC[NH+]1CCC([NH2+]CCCN(C(=O)C2CCC2)C2CC2)CC1 ZINC000341709319 271881564 /nfs/dbraw/zinc/88/15/64/271881564.db2.gz USKYRNAMXXTJLM-UHFFFAOYSA-N 2 0 321.509 2.632 20 0 DFADRP Cc1nc(CN2CCC(C[NH2+][C@@H]3CCOC[C@H]3C)CC2)oc1C ZINC000192538398 427559854 /nfs/dbraw/zinc/55/98/54/427559854.db2.gz AFLDDIWLICGPCF-CXAGYDPISA-N 2 0 321.465 2.518 20 0 DFADRP C[NH+](C)CCN1CCC([NH2+]C2CC(C)(c3ccccc3)C2)CC1 ZINC000294147721 427563374 /nfs/dbraw/zinc/56/33/74/427563374.db2.gz HDJZLJLNVMJSJJ-UHFFFAOYSA-N 2 0 315.505 2.722 20 0 DFADRP Cn1c2ccccc2nc1CCC[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000271526967 427571424 /nfs/dbraw/zinc/57/14/24/427571424.db2.gz REULPLBSXZOQOR-CVEARBPZSA-N 2 0 312.461 2.722 20 0 DFADRP C[C@@H](CNC(=O)c1ccc(C[NH+]2CCCCC2)cc1)C[NH+](C)C ZINC000294176276 427573544 /nfs/dbraw/zinc/57/35/44/427573544.db2.gz MOODTOWGDBEQRP-INIZCTEOSA-N 2 0 317.477 2.600 20 0 DFADRP CCC(CC)(CC)[NH2+]CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000184987245 427574728 /nfs/dbraw/zinc/57/47/28/427574728.db2.gz RPTGVDSVADUMJT-KRWDZBQOSA-N 2 0 319.493 2.964 20 0 DFADRP CC(C)c1nc([C@H]2CCC[N@H+](C[C@@H]3CC[NH2+][C@H](C)C3)C2)no1 ZINC000332342570 427583412 /nfs/dbraw/zinc/58/34/12/427583412.db2.gz REKCOUXXETWRRN-KFWWJZLASA-N 2 0 306.454 2.761 20 0 DFADRP Cc1ccc(C[N@H+](C)C[C@H]2CC[NH+](C)C2)c(-c2ccnn2C)c1 ZINC000338951000 427584499 /nfs/dbraw/zinc/58/44/99/427584499.db2.gz BVTVBXTUMINOAE-INIZCTEOSA-N 2 0 312.461 2.779 20 0 DFADRP CC(C)[N@@H+]1CCC[C@@H](C[NH2+]C2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000298372207 427588505 /nfs/dbraw/zinc/58/85/05/427588505.db2.gz KSSGQQAOESEAOA-KRWDZBQOSA-N 3 0 316.493 2.760 20 0 DFADRP C[C@H]1C[C@@H]([NH2+]CC2=CC[NH+](C)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000271912235 427594258 /nfs/dbraw/zinc/59/42/58/427594258.db2.gz YCAGWXHXFWYDGJ-PXNSSMCTSA-N 3 0 313.489 2.891 20 0 DFADRP C[C@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C)N1CCc2ccccc2C1 ZINC000192751626 427600517 /nfs/dbraw/zinc/60/05/17/427600517.db2.gz KKXWKHYKICRKMR-MIJOPJBOSA-N 2 0 313.489 2.648 20 0 DFADRP C[C@@H](C[NH2+]C1CCN(c2cc[nH+]cc2)CC1)N1CCC[C@H](C)C1 ZINC000298434689 427610828 /nfs/dbraw/zinc/61/08/28/427610828.db2.gz NEVXBUDGECUHQU-IRXDYDNUSA-N 2 0 316.493 2.760 20 0 DFADRP COc1ccc(O[C@@H](C)C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc1 ZINC000192909134 427634680 /nfs/dbraw/zinc/63/46/80/427634680.db2.gz FWMCICJGYJQNJH-HNSVSWJLSA-N 2 0 304.434 2.677 20 0 DFADRP COC(=O)Nc1cccc(C[NH2+][C@@H]2C[C@H](C)[N@H+](C)C[C@H]2C)c1 ZINC000287543586 427635424 /nfs/dbraw/zinc/63/54/24/427635424.db2.gz PLTGLAQKEAVMAE-DVOMOZLQSA-N 2 0 305.422 2.683 20 0 DFADRP C[C@H](C[NH2+]CCCC[N@@H+]1CCC[C@H]1CO)c1ccc(F)cc1 ZINC000272112136 427636466 /nfs/dbraw/zinc/63/64/66/427636466.db2.gz RKOHIHPUWOVCED-QAPCUYQASA-N 2 0 308.441 2.756 20 0 DFADRP C[C@H]([NH2+][C@@H]1CCC[C@H]([NH+](C)C)C1)c1cccc(-n2ccnn2)c1 ZINC000287558206 427637200 /nfs/dbraw/zinc/63/72/00/427637200.db2.gz GBOQQIKZGJHYKV-UAGQMJEPSA-N 2 0 313.449 2.791 20 0 DFADRP C[C@H](C[NH+]1CCN(CC[NH+]2CCCC2)CC1)c1ccccc1 ZINC000192936209 427637685 /nfs/dbraw/zinc/63/76/85/427637685.db2.gz RAEFFFQHTQIVOH-GOSISDBHSA-N 2 0 301.478 2.504 20 0 DFADRP C[C@@H]1CC2(C[N@@H+]1Cc1nc(-c3ccccc3)no1)CC[NH2+]CC2 ZINC000333546146 427644976 /nfs/dbraw/zinc/64/49/76/427644976.db2.gz IRPWGSMYKCYJOH-CQSZACIVSA-N 2 0 312.417 2.701 20 0 DFADRP CC[NH+]1CCN(CCC[NH2+]Cc2cc(Cl)cs2)CC1 ZINC000193003362 427650088 /nfs/dbraw/zinc/65/00/88/427650088.db2.gz CWRUXWIZEKXKLG-UHFFFAOYSA-N 2 0 301.887 2.519 20 0 DFADRP CC[C@H]1C[N@H+](CC)CCN1C(=O)Nc1cc(C)c2nccn2c1 ZINC000333577598 427651597 /nfs/dbraw/zinc/65/15/97/427651597.db2.gz ZFPKYRCRCXVODC-HNNXBMFYSA-N 2 0 315.421 2.591 20 0 DFADRP Cc1ccc2nc(C[NH2+]C3CCN(c4cc[nH+]cc4)CC3)cn2c1 ZINC000298606927 427656932 /nfs/dbraw/zinc/65/69/32/427656932.db2.gz ZSISAFFIBTXQSY-UHFFFAOYSA-N 2 0 321.428 2.796 20 0 DFADRP CCSc1cccc(C[NH2+]CCCN2CC[NH+](CC)CC2)c1 ZINC000185465662 427657823 /nfs/dbraw/zinc/65/78/23/427657823.db2.gz DAKNMMKIBRYTLO-UHFFFAOYSA-N 2 0 321.534 2.916 20 0 DFADRP CN(C)CC[NH+]1CCC(C[NH2+]Cc2sccc2Cl)CC1 ZINC000193086670 427662640 /nfs/dbraw/zinc/66/26/40/427662640.db2.gz OGSNNTLOAOJJBK-UHFFFAOYSA-N 2 0 315.914 2.765 20 0 DFADRP C[C@@H](C[NH2+]C1CCN(c2cc[nH+]cc2)CC1)N1CCC(C)CC1 ZINC000298484526 427625184 /nfs/dbraw/zinc/62/51/84/427625184.db2.gz PPVQDBDAIDWVQM-KRWDZBQOSA-N 2 0 316.493 2.760 20 0 DFADRP CC[NH+](CC)[C@@H](CN[C@H]1C[N@H+](CC)C[C@@H]1C)c1ccccc1 ZINC000342944178 272069671 /nfs/dbraw/zinc/06/96/71/272069671.db2.gz IUXKXQYJGLBNMH-WDSOQIARSA-N 2 0 303.494 2.999 20 0 DFADRP OCC1([NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)CCC1 ZINC000193114733 427667834 /nfs/dbraw/zinc/66/78/34/427667834.db2.gz PQVAMKDVJSBICS-AYHJJNSGSA-N 2 0 300.446 2.687 20 0 DFADRP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+](C)CC[C@H]1CCCO1 ZINC000343480254 272156992 /nfs/dbraw/zinc/15/69/92/272156992.db2.gz ZEXXJXAYDZEHKL-QGZVFWFLSA-N 2 0 300.406 2.577 20 0 DFADRP COC(=O)c1occc1C[NH2+]CCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000343563065 272171382 /nfs/dbraw/zinc/17/13/82/272171382.db2.gz GCJYRDUHHBQSEK-GASCZTMLSA-N 2 0 322.449 2.914 20 0 DFADRP CO[C@H](C)CC[NH2+][C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000295053175 427674938 /nfs/dbraw/zinc/67/49/38/427674938.db2.gz PTLVHFBHZQXCLX-XGXHKWSGSA-N 2 0 302.462 2.912 20 0 DFADRP CC[NH+](CC)CC1CC[NH+]([C@H](C)C(=O)N2CCCCCC2)CC1 ZINC000343577300 272175146 /nfs/dbraw/zinc/17/51/46/272175146.db2.gz IQYABFZAMJQKSM-QGZVFWFLSA-N 2 0 323.525 2.831 20 0 DFADRP C[C@H](C[NH2+][C@H](C)c1cccc(-n2ccnn2)c1)C[NH+]1CCCC1 ZINC000287708800 427675628 /nfs/dbraw/zinc/67/56/28/427675628.db2.gz NZWJNEAVWZNGNS-HZPDHXFCSA-N 2 0 313.449 2.650 20 0 DFADRP CC[N@H+](C)[C@H](C(=O)NCC1CCC(C[NH3+])CC1)c1ccccc1 ZINC000343640116 272191263 /nfs/dbraw/zinc/19/12/63/272191263.db2.gz LLKCWZVPBHIZHB-HTWSVDAQSA-N 2 0 317.477 2.561 20 0 DFADRP CCN1C[C@@H](C)[C@H]([NH2+]CC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000343705299 272205259 /nfs/dbraw/zinc/20/52/59/272205259.db2.gz BYKDYZHBRPQRRM-YLJYHZDGSA-N 2 0 315.505 2.828 20 0 DFADRP CCOc1cc2[nH+]ccc(N[C@@H](C)C[NH+](C)C)c2cc1OCC ZINC000343785057 272218565 /nfs/dbraw/zinc/21/85/65/272218565.db2.gz FVSVZLJUDHHGSE-ZDUSSCGKSA-N 2 0 317.433 2.816 20 0 DFADRP Cc1cccc(C)c1C[N@@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000343922056 272238233 /nfs/dbraw/zinc/23/82/33/272238233.db2.gz KNNPWYUJHCMDJP-UYAOXDASSA-N 2 0 315.505 2.761 20 0 DFADRP CN(CCC[N@H+](C)Cc1ccc(F)c(Cl)c1)CC[NH+](C)C ZINC000344025490 272250212 /nfs/dbraw/zinc/25/02/12/272250212.db2.gz ISCXPXUOOSULPU-UHFFFAOYSA-N 2 0 315.864 2.794 20 0 DFADRP CO[C@@H]1[C@H](C)[C@H]([NH2+]CCCC[NH+]2C[C@H](C)O[C@@H](C)C2)C12CCC2 ZINC000344045748 272252696 /nfs/dbraw/zinc/25/26/96/272252696.db2.gz GSDDCPCHXPZHCS-IECFSIQFSA-N 2 0 324.509 2.669 20 0 DFADRP CO[C@@H]1[C@H](C)[C@H]([NH2+]CCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)C1(C)C ZINC000344070461 272256859 /nfs/dbraw/zinc/25/68/59/272256859.db2.gz SMUYZBZXZMCGJD-BPKGMFCQSA-N 2 0 312.498 2.525 20 0 DFADRP C[C@H](C[NH2+][C@@H]1CCCc2ccc(F)cc21)CN1CC[NH+](C)CC1 ZINC000344172905 272280084 /nfs/dbraw/zinc/28/00/84/272280084.db2.gz PDSJDJGOEOUWDP-DNVCBOLYSA-N 2 0 319.468 2.676 20 0 DFADRP CC[NH+](CC)CCC[C@H](C)NC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC000344177966 272280316 /nfs/dbraw/zinc/28/03/16/272280316.db2.gz UEQLLKCPJJISPN-DLBZAZTESA-N 2 0 311.514 2.878 20 0 DFADRP C[N@H+]1CC=C(C[NH2+][C@H](Cc2ccccn2)c2cccnc2)CC1 ZINC000344294595 272306215 /nfs/dbraw/zinc/30/62/15/272306215.db2.gz JEMHBOVTXFCAKP-LJQANCHMSA-N 2 0 308.429 2.612 20 0 DFADRP C[C@H]1CCC[C@@H]([NH+]2CCC([NH2+]CC3=CC[N@H+](C)CC3)CC2)C1 ZINC000344292179 272306523 /nfs/dbraw/zinc/30/65/23/272306523.db2.gz FSXUBTFSCQECNP-QFBILLFUSA-N 3 0 305.510 2.881 20 0 DFADRP C[C@@H]([NH2+]CC1=CC[N@H+](C)CC1)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000344307642 272308903 /nfs/dbraw/zinc/30/89/03/272308903.db2.gz XLANDMLUOGKTGQ-CYBMUJFWSA-N 2 0 313.445 2.829 20 0 DFADRP Cc1cc(F)ccc1N1CCC[C@H]([NH2+][C@H]2CN(C)C[C@@H]2C)C1 ZINC000344366553 272321568 /nfs/dbraw/zinc/32/15/68/272321568.db2.gz ABWGJWSLWLUZKR-XIRDDKMYSA-N 2 0 305.441 2.643 20 0 DFADRP CCc1ccc(CNC[C@]2(O)CC[N@H+](Cc3ccccc3)C2)o1 ZINC000344525299 272334021 /nfs/dbraw/zinc/33/40/21/272334021.db2.gz IATCHWLDWISKHR-LJQANCHMSA-N 2 0 314.429 2.569 20 0 DFADRP C[C@@H]1C[C@H](N[C@@H]2CC[NH+](C)[C@H](C)C2)C[N@H+](Cc2ccccc2)C1 ZINC000344775290 272367250 /nfs/dbraw/zinc/36/72/50/272367250.db2.gz WAQLHRYMFHYBRR-LFGUQSLTSA-N 2 0 315.505 2.969 20 0 DFADRP CC[C@H](C(=O)N1CCC(C[NH+](CC)CC)CC1)[NH+](CC)CC ZINC000344832691 272375423 /nfs/dbraw/zinc/37/54/23/272375423.db2.gz SPUXIJTXULWMJP-QGZVFWFLSA-N 2 0 311.514 2.687 20 0 DFADRP CC[NH+]1CCN([C@@H](C)C[NH2+]Cc2cc(C)cc(Cl)c2)CC1 ZINC000339185037 427721888 /nfs/dbraw/zinc/72/18/88/427721888.db2.gz VJLVZDYIEYTHPD-HNNXBMFYSA-N 2 0 309.885 2.764 20 0 DFADRP CO[C@H](C[NH2+][C@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1)C1CC1 ZINC000295080247 427685088 /nfs/dbraw/zinc/68/50/88/427685088.db2.gz TVJUXUXQNPAFJH-AYOQOUSVSA-N 2 0 302.462 2.912 20 0 DFADRP O=C(CC1CCN(CCC[NH+]2CCCCC2)CC1)N1CCCC1 ZINC000193471974 427694419 /nfs/dbraw/zinc/69/44/19/427694419.db2.gz SPAAEILTKCMHRX-UHFFFAOYSA-N 2 0 321.509 2.587 20 0 DFADRP C[C@@H]([NH2+]C[C@H](O)Cc1ccccc1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185743831 427699595 /nfs/dbraw/zinc/69/95/95/427699595.db2.gz RULDFLQLFMDPOL-YVWKXTFCSA-N 2 0 316.489 2.833 20 0 DFADRP O=C1Nc2ccccc2C12CCC([NH2+][C@H]1CCCC[NH2+]C1)CC2 ZINC000333875507 427701462 /nfs/dbraw/zinc/70/14/62/427701462.db2.gz VHDAJKLKNTZMLD-HVEKOLDVSA-N 2 0 313.445 2.551 20 0 DFADRP CC(C)[N@H+](C)CCCNCc1ccccc1N1CCO[C@@H](C)C1 ZINC000298780991 427702162 /nfs/dbraw/zinc/70/21/62/427702162.db2.gz MODUOMXMANJEHA-KRWDZBQOSA-N 2 0 319.493 2.732 20 0 DFADRP Cc1ccc2[nH+]ccc(N3CC[NH+](C[C@H]4CCOC4)CC3)c2c1 ZINC000185759265 427702198 /nfs/dbraw/zinc/70/21/98/427702198.db2.gz HPVDSBGBUZHDAF-MRXNPFEDSA-N 2 0 311.429 2.702 20 0 DFADRP Cc1nc[nH]c1CC(=O)NCC(C)(C)[NH2+][C@@H](C)c1ccccc1 ZINC000279567971 427704391 /nfs/dbraw/zinc/70/43/91/427704391.db2.gz ZETPYQHORZMSBO-ZDUSSCGKSA-N 2 0 314.433 2.506 20 0 DFADRP Cc1ccc([C@@H](CNC(=O)C[N@@H+](C)C(C)C)[NH+]2CCCC2)cc1 ZINC000299443674 427765348 /nfs/dbraw/zinc/76/53/48/427765348.db2.gz ZLSFPKFXMONSHU-GOSISDBHSA-N 2 0 317.477 2.588 20 0 DFADRP COc1ccc(C[N@H+](C[C@H]2CCC[NH2+]C2)[C@H](CO)C(C)C)cc1 ZINC000339431727 427774089 /nfs/dbraw/zinc/77/40/89/427774089.db2.gz UUFWGADDRNARKK-PKOBYXMFSA-N 2 0 320.477 2.514 20 0 DFADRP CC(=O)c1ccccc1OCCN1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000339432916 427774372 /nfs/dbraw/zinc/77/43/72/427774372.db2.gz FRYZVRNHUSKDJK-IBGZPJMESA-N 2 0 316.445 2.686 20 0 DFADRP CC(C)C[C@H](CNC(=O)[C@H](C)[N@H+](C)Cc1ccccc1)[NH+](C)C ZINC000345680151 272516549 /nfs/dbraw/zinc/51/65/49/272516549.db2.gz XYTZPUJJNPSQSG-FUHWJXTLSA-N 2 0 319.493 2.599 20 0 DFADRP CC[C@H]([NH2+]C[C@@H]1CC[N@H+](Cc2ccccc2)C1)[C@@H]1CCOC1 ZINC000336725084 427750080 /nfs/dbraw/zinc/75/00/80/427750080.db2.gz XPTKUZJYYSPYDE-OTWHNJEPSA-N 2 0 302.462 2.913 20 0 DFADRP COCCC[N@H+](CCc1ccc(OC)cc1)CC1CC[NH2+]CC1 ZINC000337075113 427796082 /nfs/dbraw/zinc/79/60/82/427796082.db2.gz PWHSNJZGDGNIBD-UHFFFAOYSA-N 2 0 320.477 2.576 20 0 DFADRP CC[NH+]1CCN(c2ccccc2C[NH2+][C@@H]2CCC[C@H]2F)CC1 ZINC000339588468 427797542 /nfs/dbraw/zinc/79/75/42/427797542.db2.gz YYCGINFYBNPBHX-IAGOWNOFSA-N 2 0 305.441 2.809 20 0 DFADRP CC(C)n1nccc1C[NH+]1CCC(OCC[NH+]2CCCC2)CC1 ZINC000337168035 427808648 /nfs/dbraw/zinc/80/86/48/427808648.db2.gz CVJAOCORKATITF-UHFFFAOYSA-N 2 0 320.481 2.541 20 0 DFADRP Cc1ccnc(NCCN2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000301622113 427809969 /nfs/dbraw/zinc/80/99/69/427809969.db2.gz DPOSKVGPULTISE-UHFFFAOYSA-N 2 0 310.445 2.620 20 0 DFADRP Cc1cccc2c(NC[C@H](c3cnn(C)c3)[NH+](C)C)cc[nH+]c12 ZINC000301669224 427814093 /nfs/dbraw/zinc/81/40/93/427814093.db2.gz NCCPYKMEGTWEIF-QGZVFWFLSA-N 2 0 309.417 2.992 20 0 DFADRP CC(C)[NH+]1CCN(CCC[N@@H+]2CC(C)(C)[C@H]3CCC[C@@H]32)CC1 ZINC000339714156 427816788 /nfs/dbraw/zinc/81/67/88/427816788.db2.gz AYBRYUPFWRXOCX-ROUUACIJSA-N 2 0 307.526 2.913 20 0 DFADRP CCc1cc(N2CC[N@H+](C[C@H](C)O)[C@H](C)C2)c2ccccc2[nH+]1 ZINC000301802685 427825482 /nfs/dbraw/zinc/82/54/82/427825482.db2.gz UAKOTIYPPOLMQP-CABCVRRESA-N 2 0 313.445 2.689 20 0 DFADRP CCCc1cc(N2C[C@@H]3OCC[N@H+](C)[C@H]3C2)c2ccccc2[nH+]1 ZINC000301803331 427826331 /nfs/dbraw/zinc/82/63/31/427826331.db2.gz UGURNIXEJBGQLG-OALUTQOASA-N 2 0 311.429 2.707 20 0 DFADRP C[C@H]1CCC[N@@H+]1C1CCN(c2cc(NCC3CC3)ncn2)CC1 ZINC000301833331 427828214 /nfs/dbraw/zinc/82/82/14/427828214.db2.gz RYCPHXUBKNGDBP-AWEZNQCLSA-N 2 0 315.465 2.752 20 0 DFADRP CCSc1cccc(C[NH2+][C@@H](C)CCN2CCOCC2)c1 ZINC000349651813 427836458 /nfs/dbraw/zinc/83/64/58/427836458.db2.gz DJYOVEOOUJDARP-HNNXBMFYSA-N 2 0 308.491 2.999 20 0 DFADRP CC(C)[C@H](C(=O)N1CCC[C@H](C[N@@H+]2CCCC[C@@H]2C)C1)[NH+](C)C ZINC000349656408 427838949 /nfs/dbraw/zinc/83/89/49/427838949.db2.gz PPTSKYDESGRKPV-RCCFBDPRSA-N 2 0 323.525 2.686 20 0 DFADRP CC(C)[NH+]1CCN(CCC[NH2+]C(C)(C)c2cccs2)CC1 ZINC000337312147 427839241 /nfs/dbraw/zinc/83/92/41/427839241.db2.gz DNMGKXYPFLGLFS-UHFFFAOYSA-N 2 0 309.523 2.989 20 0 DFADRP CC[C@@H]1C[C@H](C[NH2+]CCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CCO1 ZINC000355675761 427843809 /nfs/dbraw/zinc/84/38/09/427843809.db2.gz WANNRHCLHMVYMG-XMTFNYHQSA-N 2 0 312.498 2.671 20 0 DFADRP Cc1ccccc1NC(=O)N(CCC[NH+](C)C)CCC[NH+](C)C ZINC000359426654 427848491 /nfs/dbraw/zinc/84/84/91/427848491.db2.gz WLJKDBQAVKMWIQ-UHFFFAOYSA-N 2 0 320.481 2.732 20 0 DFADRP CCCc1cc(N2CC[NH+](C[C@@H](C)O)CC2)c2ccccc2[nH+]1 ZINC000302508020 427853982 /nfs/dbraw/zinc/85/39/82/427853982.db2.gz FHQCWZNUFGWLOU-OAHLLOKOSA-N 2 0 313.445 2.690 20 0 DFADRP CC(C)[NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CC12CCOCC2 ZINC000340469541 427857102 /nfs/dbraw/zinc/85/71/02/427857102.db2.gz KMLPBMKGNLTKRY-GOSISDBHSA-N 2 0 302.462 2.913 20 0 DFADRP C[C@@H]([NH2+]CCCC[N@H+]1C[C@H](C)C[C@H](C)C1)C(C)(C)n1cncn1 ZINC000340469553 427857258 /nfs/dbraw/zinc/85/72/58/427857258.db2.gz KQPQZFXFOMWJNX-IXDOHACOSA-N 2 0 321.513 2.749 20 0 DFADRP C[C@]1([NH3+])CCCC[C@H]1C(=O)NCCCCC[NH+]1CCCCC1 ZINC000345701738 427866811 /nfs/dbraw/zinc/86/68/11/427866811.db2.gz AYUZSDLTMLKAAY-WMZOPIPTSA-N 2 0 309.498 2.666 20 0 DFADRP c1cc(N2CCCC2)ncc1CNc1cc2c(c[nH+]1)CCCC2 ZINC000359475018 427868448 /nfs/dbraw/zinc/86/84/48/427868448.db2.gz SRJVHKZYBBVRJD-UHFFFAOYSA-N 2 0 308.429 3.568 20 0 DFADRP CC(C)CN(CC[NH+](C)C)C(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000340527111 427872815 /nfs/dbraw/zinc/87/28/15/427872815.db2.gz BWFLLXZNJIZGSK-QGZVFWFLSA-N 2 0 323.525 2.687 20 0 DFADRP CC(C)c1ncc(C[NH2+]C(C)(C)CCN2CC[NH+](C)CC2)s1 ZINC000349853787 427880848 /nfs/dbraw/zinc/88/08/48/427880848.db2.gz SYWOQOCWZYTQTO-UHFFFAOYSA-N 2 0 324.538 2.772 20 0 DFADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NCC[NH+]1CCCC1 ZINC000359508810 427880886 /nfs/dbraw/zinc/88/08/86/427880886.db2.gz HMEZHPJQNWPSIE-MJGOQNOKSA-N 2 0 301.478 2.582 20 0 DFADRP Cc1ccc(F)c(C[N@@H+](C)CCCN2CC[NH+](C(C)C)CC2)c1 ZINC000337403148 427885642 /nfs/dbraw/zinc/88/56/42/427885642.db2.gz IBMQHUXCVGUNFG-UHFFFAOYSA-N 2 0 321.484 2.982 20 0 DFADRP COc1cc(C)c(C[C@H](C)[NH2+]CC2CC[NH+](C)CC2)cc1OC ZINC000337407147 427889070 /nfs/dbraw/zinc/88/90/70/427889070.db2.gz USQBULNJYGENKG-HNNXBMFYSA-N 2 0 320.477 2.875 20 0 DFADRP CC(C)[C@@H](C(=O)NCC[C@@H](C)[NH+]1CCCCC1)[NH+]1CCCCC1 ZINC000345759657 427890920 /nfs/dbraw/zinc/89/09/20/427890920.db2.gz ZHUTUNYFQLHIDC-MSOLQXFVSA-N 2 0 323.525 2.878 20 0 DFADRP CC[N@@H+]1CC[C@@H](C[NH2+][C@H](C)Cc2cc(OC)c(OC)cc2C)C1 ZINC000337409597 427892655 /nfs/dbraw/zinc/89/26/55/427892655.db2.gz WHJBSJKCTIYADP-CVEARBPZSA-N 2 0 320.477 2.875 20 0 DFADRP C[C@H]1CCCC[N@@H+]1CCCCNc1cc(NCC2CC2)ncn1 ZINC000340013664 427901458 /nfs/dbraw/zinc/90/14/58/427901458.db2.gz AZVYQGCDLBFEFJ-HNNXBMFYSA-N 2 0 317.481 3.365 20 0 DFADRP CC(C)C[C@@H](C[NH+](C)C)NC(=O)[C@@H](C)[N@H+](C)Cc1ccccc1 ZINC000345808559 427914512 /nfs/dbraw/zinc/91/45/12/427914512.db2.gz RHEFKGHYQQYUAU-AEFFLSMTSA-N 2 0 319.493 2.599 20 0 DFADRP CC1CCN(C(=[NH2+])NC[C@@H]2CCC[N@@H+]2Cc2ccccc2)CC1 ZINC000304126360 427918325 /nfs/dbraw/zinc/91/83/25/427918325.db2.gz OPCYXTROHVAMSX-SFHVURJKSA-N 2 0 314.477 2.907 20 0 DFADRP CC(C)[NH+]1CCN(CCC[N@@H+]2CC[C@@H](C(F)(F)F)[C@@H]2C)CC1 ZINC000337469178 427920172 /nfs/dbraw/zinc/92/01/72/427920172.db2.gz OPIRZWUTSFKONL-LSDHHAIUSA-N 2 0 321.431 2.675 20 0 DFADRP Cc1nccnc1CC[NH2+]C1CC[NH+]([C@H]2CCCC[C@@H]2C)CC1 ZINC000340488552 427860325 /nfs/dbraw/zinc/86/03/25/427860325.db2.gz BVBQDOYGDOMXKA-KXBFYZLASA-N 2 0 316.493 2.960 20 0 DFADRP CC[N@@H+]1C[C@H](C)N(C(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)C[C@@H]1C ZINC000345933225 427957845 /nfs/dbraw/zinc/95/78/45/427957845.db2.gz AKMAYIVNJGXKMS-YESZJQIVSA-N 2 0 321.509 2.582 20 0 DFADRP CCO[C@@H]1C[C@H]([NH2+]C[C@@H]2CC[N@H+](CC)C2)[C@H]1Oc1ccccc1 ZINC000359660900 427959620 /nfs/dbraw/zinc/95/96/20/427959620.db2.gz MMEWTQYUGRGFCM-GDAAHCPNSA-N 2 0 318.461 2.543 20 0 DFADRP C[C@H](CCCC(F)(F)F)[NH2+]CCCN1CCC[N@H+](C)CC1 ZINC000359659231 427960945 /nfs/dbraw/zinc/96/09/45/427960945.db2.gz GOEBMCRDBSZKGZ-CQSZACIVSA-N 2 0 309.420 2.725 20 0 DFADRP CC(C)[C@H](C[NH2+][C@H](C)c1ccc(Cl)cn1)N1CC[NH+](C)CC1 ZINC000359662338 427962268 /nfs/dbraw/zinc/96/22/68/427962268.db2.gz JRLKLZHWTTVYQI-PBHICJAKSA-N 2 0 324.900 2.658 20 0 DFADRP CN(C)CC[NH+]1CCC(C[NH2+][C@H]2CCCC23CCCC3)CC1 ZINC000340235770 427963387 /nfs/dbraw/zinc/96/33/87/427963387.db2.gz MBFYROBALILVIL-SFHVURJKSA-N 2 0 307.526 2.963 20 0 DFADRP C[C@H](CCCC(F)(F)F)[NH2+]C[C@H](C)CN1CC[NH+](C)CC1 ZINC000359662336 427963856 /nfs/dbraw/zinc/96/38/56/427963856.db2.gz JQKTVZOKNNSELL-UONOGXRCSA-N 2 0 309.420 2.581 20 0 DFADRP CCCN(CC[NH+]1CCCC1)C(=O)CC[C@@H]1CCCC[N@@H+]1C ZINC000359667053 427965006 /nfs/dbraw/zinc/96/50/06/427965006.db2.gz SHSXDPLVNBCVIR-KRWDZBQOSA-N 2 0 309.498 2.585 20 0 DFADRP CCC(C)(C)[NH2+][C@H](C)C(=O)N[C@@H]1CC[N@H+](CC2CCCC2)C1 ZINC000346983330 272706250 /nfs/dbraw/zinc/70/62/50/272706250.db2.gz PQMLCZPINISVQN-GDBMZVCRSA-N 2 0 309.498 2.534 20 0 DFADRP C[C@@H](CCN1CC[NH+](C)CC1)[NH2+]Cc1ccsc1Cl ZINC000359677465 427968576 /nfs/dbraw/zinc/96/85/76/427968576.db2.gz LXCGYBFESGXVQY-LBPRGKRZSA-N 2 0 301.887 2.517 20 0 DFADRP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1N[C@H]1CC[NH+](C)[C@H](c2ccccc2)C1 ZINC000340263442 427971385 /nfs/dbraw/zinc/97/13/85/427971385.db2.gz VXKBFCBSVJTXGQ-LQJIQPLVSA-N 2 0 313.489 2.894 20 0 DFADRP CC[C@@H](C(=O)N1CC[NH+](C2CCC(C)CC2)CC1)[NH+](CC)CC ZINC000345983061 427974765 /nfs/dbraw/zinc/97/47/65/427974765.db2.gz XELVMZFWWLYUKM-ABHNRTSZSA-N 2 0 323.525 2.830 20 0 DFADRP CC(C)[N@@H+]1CCCC[C@@H]1CN1CCC(Cc2nccn2C)CC1 ZINC000340281857 427976916 /nfs/dbraw/zinc/97/69/16/427976916.db2.gz FGNWQSMFESALOI-GOSISDBHSA-N 2 0 318.509 2.938 20 0 DFADRP COC1(C[NH2+]C2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)CCCCC1 ZINC000359700170 427978062 /nfs/dbraw/zinc/97/80/62/427978062.db2.gz MJVNCSVRGPGDGY-ROUUACIJSA-N 2 0 324.509 2.693 20 0 DFADRP CCC[NH+]1CCC(N2CC[NH+](CCSC(C)C)CC2)CC1 ZINC000369501319 427982792 /nfs/dbraw/zinc/98/27/92/427982792.db2.gz AXYDUYKGGLBLIQ-UHFFFAOYSA-N 2 0 313.555 2.620 20 0 DFADRP C[C@@H]1[C@@H]([NH2+]CC2=CC[N@H+](C)CC2)CCCN1Cc1ccccc1 ZINC000340314543 427984273 /nfs/dbraw/zinc/98/42/73/427984273.db2.gz DVJCMEYLKCNNAL-XLIONFOSSA-N 2 0 313.489 2.891 20 0 DFADRP CCOc1cc(C[NH2+]Cc2cnc3n2CCCC3)ccc1OC ZINC000376730244 427987209 /nfs/dbraw/zinc/98/72/09/427987209.db2.gz WIBDWXVOGBRGTO-UHFFFAOYSA-N 2 0 315.417 2.917 20 0 DFADRP COC(=O)[C@@H](C1CC1)[NH+]1CCC(CCC[NH+]2CCCC2)CC1 ZINC000359597363 427929271 /nfs/dbraw/zinc/92/92/71/427929271.db2.gz OFLLMZGQAYALJD-QGZVFWFLSA-N 2 0 308.466 2.526 20 0 DFADRP C[C@H](CCNC(=O)C[C@H]1CCC[C@@H]1[NH3+])[N@H+](C)Cc1ccccc1 ZINC000340116837 427931709 /nfs/dbraw/zinc/93/17/09/427931709.db2.gz BJLANVUHOIHWKB-NXHRZFHOSA-N 2 0 317.477 2.531 20 0 DFADRP C[N@@H+]1CC[C@H](NC[C@@H]2CC[NH+](C3CC3)C2)C[C@H]1c1ccccc1 ZINC000340175496 427944723 /nfs/dbraw/zinc/94/47/23/427944723.db2.gz LDADMSDUDJXNRP-QRFRQXIXSA-N 3 0 313.489 2.896 20 0 DFADRP C[N@@H+]1CC[C@H](NC[C@@H]2CC[NH+](C3CC3)C2)C[C@@H]1c1ccccc1 ZINC000340175497 427945781 /nfs/dbraw/zinc/94/57/81/427945781.db2.gz LDADMSDUDJXNRP-XKGZKEIXSA-N 3 0 313.489 2.896 20 0 DFADRP CCC[NH+](CCC)CCCC(=O)N1C[C@H](C)[N@H+](CC)C[C@@H]1C ZINC000345917029 427950586 /nfs/dbraw/zinc/95/05/86/427950586.db2.gz JXQUGTRUNHELMV-IRXDYDNUSA-N 2 0 311.514 2.830 20 0 DFADRP CCC[NH+](CCC)CCCC(=O)N1C[C@H](C)[N@H+](CC)C[C@H]1C ZINC000345917026 427951595 /nfs/dbraw/zinc/95/15/95/427951595.db2.gz JXQUGTRUNHELMV-DLBZAZTESA-N 2 0 311.514 2.830 20 0 DFADRP CCO[C@@H]1C[C@@H]([NH2+]CCCC[NH+](C)C)[C@H]1Oc1ccccc1 ZINC000359645425 427952041 /nfs/dbraw/zinc/95/20/41/427952041.db2.gz XDWBFNFMWUWMME-KZNAEPCWSA-N 2 0 306.450 2.543 20 0 DFADRP CCCc1ccc2[nH+]ccc(N3C[C@@H]4[C@H](C3)OCC[N@@H+]4C)c2c1 ZINC000413469090 428057217 /nfs/dbraw/zinc/05/72/17/428057217.db2.gz JJEKZFPCSPXCTN-MOPGFXCFSA-N 2 0 311.429 2.707 20 0 DFADRP Cc1cc(NC[C@@H]2CC[N@@H+](C)[C@@H]2c2cccs2)nc(C)n1 ZINC000369562172 427999255 /nfs/dbraw/zinc/99/92/55/427999255.db2.gz XWGPSRQSFAJGJY-BBRMVZONSA-N 2 0 302.447 3.260 20 0 DFADRP Cc1cc(NC[C@H]2CC[N@@H+](C)[C@@H]2c2cccs2)nc(C)n1 ZINC000369562174 428001301 /nfs/dbraw/zinc/00/13/01/428001301.db2.gz XWGPSRQSFAJGJY-CJNGLKHVSA-N 2 0 302.447 3.260 20 0 DFADRP C[C@@H]([NH2+]CC1(CCO)CC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000376899518 428019462 /nfs/dbraw/zinc/01/94/62/428019462.db2.gz SLMLLSLGFAMKEH-AEFFLSMTSA-N 2 0 302.462 2.649 20 0 DFADRP C1C[N@@H+]2CCCC[C@H]2[C@@H]1NC1CC[NH+](C2CCCCC2)CC1 ZINC000359940915 428084945 /nfs/dbraw/zinc/08/49/45/428084945.db2.gz IZOZHGRKQZQVEM-MOPGFXCFSA-N 2 0 305.510 3.000 20 0 DFADRP CC[NH+]1CCN([C@@H](C)C[NH2+]Cc2ccsc2Cl)CC1 ZINC000359959293 428094215 /nfs/dbraw/zinc/09/42/15/428094215.db2.gz RFXALLOEDZFAIA-LBPRGKRZSA-N 2 0 301.887 2.517 20 0 DFADRP [NH3+][C@H]1CCC[C@H](C(=O)N2CCC(CCC[NH+]3CCCC3)CC2)C1 ZINC000346291827 428110873 /nfs/dbraw/zinc/11/08/73/428110873.db2.gz QVRLZAAPZJAVBS-ROUUACIJSA-N 2 0 321.509 2.619 20 0 DFADRP C[C@H]([NH3+])[C@@H]1CC[N@H+](CCOc2ccccc2C(F)(F)F)C1 ZINC000351859195 428114470 /nfs/dbraw/zinc/11/44/70/428114470.db2.gz FVLVIMAFKJOAPW-NWDGAFQWSA-N 2 0 302.340 2.753 20 0 DFADRP C[C@H]1CCCC[N@@H+]1CCNC(=O)[C@H]1CC[NH+](C2CCCCC2)C1 ZINC000360007761 428115653 /nfs/dbraw/zinc/11/56/53/428115653.db2.gz RDAYVHHMNXDLFT-IRXDYDNUSA-N 2 0 321.509 2.632 20 0 DFADRP CC[N@@H+]1CC[C@H]([NH+](C)CCc2ccc3c(c2)OCCO3)[C@H](C)C1 ZINC000360016438 428116409 /nfs/dbraw/zinc/11/64/09/428116409.db2.gz MHGAEMMJKQBTSV-WBVHZDCISA-N 2 0 318.461 2.662 20 0 DFADRP CC[N@@H+]1CC[C@@H]([NH+](C)CCc2ccc3c(c2)OCCO3)[C@@H](C)C1 ZINC000360016434 428116674 /nfs/dbraw/zinc/11/66/74/428116674.db2.gz MHGAEMMJKQBTSV-DOTOQJQBSA-N 2 0 318.461 2.662 20 0 DFADRP C[C@H]([NH2+]C1(CO)CCCC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000360023652 428118950 /nfs/dbraw/zinc/11/89/50/428118950.db2.gz ZKXMTUWHZDHKJS-WMZOPIPTSA-N 2 0 302.462 2.792 20 0 DFADRP CC[NH+]1CCN(Cc2ccccc2C[NH2+][C@H](C)C(C)C)CC1 ZINC000360025019 428123215 /nfs/dbraw/zinc/12/32/15/428123215.db2.gz QTKFHHYRWBIOIP-QGZVFWFLSA-N 2 0 303.494 2.958 20 0 DFADRP CC[C@@H](C)[N@H+](C)CCNC(=O)CCn1c(C)nc2ccccc21 ZINC000356200438 428063425 /nfs/dbraw/zinc/06/34/25/428063425.db2.gz PSONVRVRLXELCQ-CQSZACIVSA-N 2 0 316.449 2.581 20 0 DFADRP CC[C@H](C)[N@H+](C)CCNC(=O)CCn1c(C)nc2ccccc21 ZINC000356200437 428064145 /nfs/dbraw/zinc/06/41/45/428064145.db2.gz PSONVRVRLXELCQ-AWEZNQCLSA-N 2 0 316.449 2.581 20 0 DFADRP C[C@@H]1[C@@H]([NH2+][C@@H]2CCCN(Cc3ccccc3)C2)CCCN1C ZINC000346344376 428134789 /nfs/dbraw/zinc/13/47/89/428134789.db2.gz WIRYYGWCUOINED-QRQLOZEOSA-N 2 0 301.478 2.723 20 0 DFADRP Cn1cc(CN2CCC[C@@]3(CC[NH2+]C3)C2)c(-c2cccs2)n1 ZINC000352546038 428144960 /nfs/dbraw/zinc/14/49/60/428144960.db2.gz OMSVMHXCFGTGQU-KRWDZBQOSA-N 2 0 316.474 2.724 20 0 DFADRP CCCNC(=[NH2+])NC[C@@H]1CC[N@H+](C)[C@H]1c1cccc(Cl)c1 ZINC000370167567 428150743 /nfs/dbraw/zinc/15/07/43/428150743.db2.gz QZNNQKSOFIBSSC-ZFWWWQNUSA-N 2 0 308.857 2.857 20 0 DFADRP CC[NH+](CC)CCOC1CC[NH+](C[C@@H]2CCO[C@H](C)C2)CC1 ZINC000352613782 428169123 /nfs/dbraw/zinc/16/91/23/428169123.db2.gz YLBAFTOSNZZMON-IAGOWNOFSA-N 2 0 312.498 2.624 20 0 DFADRP CC[N@@H+]1CC[C@@H]([NH+](C)CCOCC(F)(F)C(F)F)C[C@H]1C ZINC000346444928 428174475 /nfs/dbraw/zinc/17/44/75/428174475.db2.gz MLMRBDXGFMMXNH-VXGBXAGGSA-N 2 0 314.367 2.708 20 0 DFADRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H]2C[C@@H](OC(C)C)C2)[C@H](C)C1 ZINC000414144357 428216895 /nfs/dbraw/zinc/21/68/95/428216895.db2.gz MPGJFCQUEKITHQ-BDXSIMOUSA-N 2 0 312.498 2.669 20 0 DFADRP Cc1n[nH]c(C)c1C[N@@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000356523051 428217330 /nfs/dbraw/zinc/21/73/30/428217330.db2.gz JMGQIBCESLRYRT-OALUTQOASA-N 2 0 324.472 2.980 20 0 DFADRP C[C@@H]1C[C@H](C[NH+]2CCC(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)CCO1 ZINC000352713391 428217566 /nfs/dbraw/zinc/21/75/66/428217566.db2.gz DDRCBIPJYQQRNI-VXIBKDFQSA-N 2 0 324.509 2.623 20 0 DFADRP C[N@@H+]1CC[C@H](C[NH2+]Cc2ccc(C(N)=O)cc2)[C@@H]1c1ccccc1 ZINC000377761222 428220356 /nfs/dbraw/zinc/22/03/56/428220356.db2.gz LXIRMNUDDPXZOW-MOPGFXCFSA-N 2 0 323.440 2.568 20 0 DFADRP Cc1cc2ncc([C@H](C)[NH2+]CC[C@@H]3CCC[N@H+](C)C3)c(C)n2n1 ZINC000414169645 428221141 /nfs/dbraw/zinc/22/11/41/428221141.db2.gz BFZUEDBUUUUVJF-HOCLYGCPSA-N 2 0 315.465 2.729 20 0 DFADRP Cc1ncc(C(=O)N[C@H](C[N@H+](C)Cc2ccccc2)C(C)C)[nH]1 ZINC000346573200 428224372 /nfs/dbraw/zinc/22/43/72/428224372.db2.gz QJKJTWVJYYBEEL-QGZVFWFLSA-N 2 0 314.433 2.605 20 0 DFADRP C[N@@H+]1CCC[C@H](CC[NH2+][C@@H](c2ccccc2)c2cncnc2)C1 ZINC000414174234 428225071 /nfs/dbraw/zinc/22/50/71/428225071.db2.gz GMDKDHQLLYCEKL-APWZRJJASA-N 2 0 310.445 2.888 20 0 DFADRP C[C@@H]([NH2+]CC[C@H]1CCC[N@H+](C)C1)c1ccc2c(c1)OCCO2 ZINC000414172880 428225161 /nfs/dbraw/zinc/22/51/61/428225161.db2.gz FQZPRYYVWGHZRK-HUUCEWRRSA-N 2 0 304.434 2.840 20 0 DFADRP C[C@H]([NH2+]CC[C@H]1CCC[N@H+](C)C1)c1ccc(C(=O)N(C)C)cc1 ZINC000414180673 428227195 /nfs/dbraw/zinc/22/71/95/428227195.db2.gz LQSRKRPAJMBMNA-JKSUJKDBSA-N 2 0 317.477 2.771 20 0 DFADRP C[N@H+](CC[C@@H]1CCCO1)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000346590270 428231409 /nfs/dbraw/zinc/23/14/09/428231409.db2.gz YARWUDBVLRNQSU-SFHVURJKSA-N 2 0 303.450 2.799 20 0 DFADRP COc1cc[nH+]c(N2CCN(c3cc[nH+]c(C)c3Cl)CC2)c1 ZINC000352749184 428231759 /nfs/dbraw/zinc/23/17/59/428231759.db2.gz PZVKZGKVJSHPNX-UHFFFAOYSA-N 2 0 318.808 2.774 20 0 DFADRP Cc1ccc(C[NH+]2CCC(N3CC[NH+](C(C)C)CC3)CC2)o1 ZINC000370338496 428189744 /nfs/dbraw/zinc/18/97/44/428189744.db2.gz BQGGLDDWASZOJU-UHFFFAOYSA-N 2 0 305.466 2.578 20 0 DFADRP CC(C)CCOCC[NH2+][C@@H]1CC[N@H+](C[C@@H]2CCCO2)C[C@H]1C ZINC000370653949 428263781 /nfs/dbraw/zinc/26/37/81/428263781.db2.gz VPAIHRHJTQGPEA-FGTMMUONSA-N 2 0 312.498 2.528 20 0 DFADRP C[NH2+]CCC1CC[NH+](Cc2cnc([C@H]3CCCO3)s2)CC1 ZINC000346663802 428264055 /nfs/dbraw/zinc/26/40/55/428264055.db2.gz XCSSRBAHEUWVME-OAHLLOKOSA-N 2 0 309.479 2.816 20 0 DFADRP CC(C)CCOCC[NH2+][C@@H]1CC[N@H+](C[C@@H]2CCCO2)C[C@@H]1C ZINC000370653951 428265295 /nfs/dbraw/zinc/26/52/95/428265295.db2.gz VPAIHRHJTQGPEA-OKZBNKHCSA-N 2 0 312.498 2.528 20 0 DFADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+][C@@H]2C[C@H]2c2ccco2)[C@H](C)C1 ZINC000414350831 428265656 /nfs/dbraw/zinc/26/56/56/428265656.db2.gz ZNXRSWVFVDYDGO-QBPKDAKJSA-N 2 0 306.450 2.862 20 0 DFADRP NC(=O)[C@@H]1CCC[N@H+](CCC[NH2+]C2CCC3(CCCC3)CC2)C1 ZINC000352831105 428267996 /nfs/dbraw/zinc/26/79/96/428267996.db2.gz BXZNKGBUJXJCSU-MRXNPFEDSA-N 2 0 321.509 2.666 20 0 DFADRP CC1=C[C@H](C)C[C@@H](C[NH2+]CC2CC[NH+](CCN(C)C)CC2)C1 ZINC000352830387 428268887 /nfs/dbraw/zinc/26/88/87/428268887.db2.gz AHDNSZIETLRSMR-QFBILLFUSA-N 2 0 307.526 2.842 20 0 DFADRP C[NH2+]CCC1CC[NH+](Cc2ccc(N3CCCC3)nc2)CC1 ZINC000346690308 428273167 /nfs/dbraw/zinc/27/31/67/428273167.db2.gz UCLRRWRSJYUYFR-UHFFFAOYSA-N 2 0 302.466 2.503 20 0 DFADRP [NH3+]CC1CC[NH+](Cc2c[nH]nc2-c2cccc(Cl)c2)CC1 ZINC000346688798 428273564 /nfs/dbraw/zinc/27/35/64/428273564.db2.gz OOJOAMJOEAJMAM-UHFFFAOYSA-N 2 0 304.825 2.901 20 0 DFADRP Fc1cccnc1OCC[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000414362888 428274512 /nfs/dbraw/zinc/27/45/12/428274512.db2.gz UTQAHIODXAFCDC-UHFFFAOYSA-N 2 0 321.440 2.986 20 0 DFADRP COc1ccc(C[N@@H+]2C[C@H](C[NH3+])C[C@@H]2C)cc1OCC(C)C ZINC000346693595 428276346 /nfs/dbraw/zinc/27/63/46/428276346.db2.gz OEMUNAWQAVXPOA-HOCLYGCPSA-N 2 0 306.450 2.899 20 0 DFADRP [NH3+]CC1CC[NH+](Cc2ccc(OCc3ccncc3)cc2)CC1 ZINC000346692205 428276924 /nfs/dbraw/zinc/27/69/24/428276924.db2.gz ZTJPTZUFXYOXNR-UHFFFAOYSA-N 2 0 311.429 2.831 20 0 DFADRP CCOc1c(Cl)cc(C[NH+]2CCC(C[NH3+])CC2)cc1OC ZINC000346692151 428278275 /nfs/dbraw/zinc/27/82/75/428278275.db2.gz ZJUQTCXSEKZBDW-UHFFFAOYSA-N 2 0 312.841 2.918 20 0 DFADRP CCN1C[C@H](C)[C@H]([NH2+][C@@H]2C[C@H](C)N(Cc3ccccc3)C2)C1 ZINC000346699840 428279785 /nfs/dbraw/zinc/27/97/85/428279785.db2.gz DXAYTGDSYOYKCQ-RNIPGJKVSA-N 2 0 301.478 2.579 20 0 DFADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC[C@@H](C1CC1)[NH+](C)C ZINC000360414201 428288264 /nfs/dbraw/zinc/28/82/64/428288264.db2.gz ORYFURPKKPLSBW-AHRSYUTCSA-N 3 0 315.505 2.827 20 0 DFADRP Cc1occc1C[NH+]1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000414424364 428290878 /nfs/dbraw/zinc/29/08/78/428290878.db2.gz CALODPCNSNCTFK-UHFFFAOYSA-N 2 0 306.450 2.912 20 0 DFADRP C[N@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)CCCCCC[NH3+])C1 ZINC000370767477 428296084 /nfs/dbraw/zinc/29/60/84/428296084.db2.gz UGYYJTUKLTXHPO-GOSISDBHSA-N 2 0 317.477 2.629 20 0 DFADRP C[N@@H+]1CC[C@@H]2[C@@H](CCCN2Cc2cnc([C@@H]3CCCO3)s2)C1 ZINC000377839126 428242396 /nfs/dbraw/zinc/24/23/96/428242396.db2.gz GJQQAOGBBKSQRN-IMJJTQAJSA-N 2 0 321.490 2.911 20 0 DFADRP C[N@@H+]1CC[C@H]([NH2+]CCOc2ncccc2Cl)[C@@H]2CCC[C@@H]21 ZINC000370586053 428246177 /nfs/dbraw/zinc/24/61/77/428246177.db2.gz ZXPMRUSUPKEFJF-QEJZJMRPSA-N 2 0 309.841 2.576 20 0 DFADRP C[N@@H+]1CC[C@H]([NH2+]CCOc2ccc(Cl)cn2)[C@H]2CCC[C@@H]21 ZINC000370583275 428246332 /nfs/dbraw/zinc/24/63/32/428246332.db2.gz IVRFQTHUKAYLHF-ILXRZTDVSA-N 2 0 309.841 2.576 20 0 DFADRP C[C@H]([NH3+])[C@@H]1CCN(CC(C)(C)C[N@H+](C)Cc2ccccc2)C1 ZINC000346631831 428248449 /nfs/dbraw/zinc/24/84/49/428248449.db2.gz COOBTBUGLNGVNG-FUHWJXTLSA-N 2 0 303.494 2.814 20 0 DFADRP C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@H]1[NH2+]CCc1ccc(F)cc1 ZINC000370608337 428251603 /nfs/dbraw/zinc/25/16/03/428251603.db2.gz KEMGSCOZRQSXQI-AYOQOUSVSA-N 2 0 320.452 2.847 20 0 DFADRP Cc1nn(-c2cccc(F)c2)cc1CN(C)C[C@@H]1CC[N@H+](C)C1 ZINC000414441304 428298079 /nfs/dbraw/zinc/29/80/79/428298079.db2.gz WFEMDBLKQOUURG-OAHLLOKOSA-N 2 0 316.424 2.703 20 0 DFADRP C[C@H]([NH2+][C@@H]1CCN(C2CC[NH+](C)CC2)C1)c1cc(F)ccc1F ZINC000370624817 428256355 /nfs/dbraw/zinc/25/63/55/428256355.db2.gz QBDLXNOYFMJQOT-DZGCQCFKSA-N 2 0 323.431 2.784 20 0 DFADRP CO[C@@H](C)[C@H](C)[NH2+]CC1CC[NH+](CCc2ccccc2)CC1 ZINC000370638270 428260234 /nfs/dbraw/zinc/26/02/34/428260234.db2.gz VEICGCVOTGYLHZ-IRXDYDNUSA-N 2 0 304.478 2.954 20 0 DFADRP CCC[C@H](C)[NH2+]Cc1ccc(C[NH+]2CCC(C(N)=O)CC2)cc1 ZINC000414322231 428260261 /nfs/dbraw/zinc/26/02/61/428260261.db2.gz GLIBTUYRHUMEMD-HNNXBMFYSA-N 2 0 317.477 2.662 20 0 DFADRP C[C@H]1CCCC[N@@H+]1CCCC[NH2+]Cc1ncc(CN(C)C)s1 ZINC000352814090 428260366 /nfs/dbraw/zinc/26/03/66/428260366.db2.gz KPQMYIWFSFZQTG-HNNXBMFYSA-N 2 0 324.538 2.949 20 0 DFADRP CC1(C)C[C@@H]([NH2+]C2CCC(C[NH3+])CC2)c2cc(N)ccc2O1 ZINC000332341369 273587195 /nfs/dbraw/zinc/58/71/95/273587195.db2.gz WYYWFIQTWRBUFD-LDZOIKDWSA-N 2 0 303.450 2.978 20 0 DFADRP [NH3+][C@H](CC(=O)N1CCC[C@H]([NH+]2CCCCC2)C1)c1ccccc1 ZINC000370860672 428310280 /nfs/dbraw/zinc/31/02/80/428310280.db2.gz JNDCWAYUXJEHPT-ZWKOTPCHSA-N 2 0 315.461 2.553 20 0 DFADRP [NH3+]CCN(c1ccc2ccccc2n1)[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000414485310 428316370 /nfs/dbraw/zinc/31/63/70/428316370.db2.gz HWXZEAKLLWVYOU-IRXDYDNUSA-N 2 0 310.445 2.627 20 0 DFADRP Cc1nc(C)c(C)c(NC[C@@H]2CC[N@@H+](C)[C@H]2c2cccs2)n1 ZINC000378157844 428320999 /nfs/dbraw/zinc/32/09/99/428320999.db2.gz IUEHXLBNXGZNKL-GOEBONIOSA-N 2 0 316.474 3.568 20 0 DFADRP Fc1ccc(C[NH2+][C@@H]2CCc3nccn3C2)c(Br)c1 ZINC000378169159 428325217 /nfs/dbraw/zinc/32/52/17/428325217.db2.gz PVRQIPMQDUNDMD-GFCCVEGCSA-N 2 0 324.197 2.889 20 0 DFADRP [NH3+][C@@H]1CCC[C@H]2C[N@H+](Cc3cnc(-c4ccncc4)s3)C[C@@H]21 ZINC000346813355 428327019 /nfs/dbraw/zinc/32/70/19/428327019.db2.gz AVWYNGGVYYWVPB-CWRNSKLLSA-N 2 0 314.458 2.764 20 0 DFADRP Cc1nn(Cc2ccccc2)c(C)c1C[N@@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000346816249 428329239 /nfs/dbraw/zinc/32/92/39/428329239.db2.gz CVZMMSDVJDMHNZ-YSIASYRMSA-N 2 0 324.472 2.717 20 0 DFADRP CC[NH+](CC)CCN(Cc1cccs1)C[C@H]1CCC[NH2+]C1 ZINC000346819071 428330285 /nfs/dbraw/zinc/33/02/85/428330285.db2.gz DSDHBOJDPHKCNZ-INIZCTEOSA-N 2 0 309.523 2.892 20 0 DFADRP Cn1cc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)c(-c2cccs2)n1 ZINC000346824065 428331506 /nfs/dbraw/zinc/33/15/06/428331506.db2.gz KWIOQPTWQGRQHE-QEJZJMRPSA-N 2 0 316.474 2.708 20 0 DFADRP [NH3+][C@@H]1CCC[C@H]2C[N@H+](Cc3c[nH]nc3-c3ccc(F)cc3)C[C@H]21 ZINC000346823065 428332797 /nfs/dbraw/zinc/33/27/97/428332797.db2.gz KEERQLXTSXHVIZ-IAOVAPTHSA-N 2 0 314.408 2.775 20 0 DFADRP [NH3+][C@@H]1CC[C@@H]2C[N@H+](Cc3c(F)cccc3N3CCCC3)C[C@H]12 ZINC000346826740 428335504 /nfs/dbraw/zinc/33/55/04/428335504.db2.gz MMPUXPOGZYPBQJ-JKIFEVAISA-N 2 0 303.425 2.595 20 0 DFADRP CC[NH+](CC)[C@H](C(=O)N1CCN(C)[C@H](C)[C@@H]1C)c1ccccc1 ZINC000356851460 428336927 /nfs/dbraw/zinc/33/69/27/428336927.db2.gz MVFXEOOTPXWSDA-RYRKJORJSA-N 2 0 317.477 2.621 20 0 DFADRP CCc1nocc1CN1CC[C@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000353023459 428356104 /nfs/dbraw/zinc/35/61/04/428356104.db2.gz XHALSRLBMDYQRC-MRXNPFEDSA-N 2 0 314.433 2.586 20 0 DFADRP C[C@@H]([NH2+]Cc1cccc(OCC[NH+](C)C)c1)[C@@H]1CCCOC1 ZINC000356857468 428340375 /nfs/dbraw/zinc/34/03/75/428340375.db2.gz XCEUJDIJXCNMAI-NVXWUHKLSA-N 2 0 306.450 2.532 20 0 DFADRP CCCOc1ccc(C[N@@H+]2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)cc1OC ZINC000346837233 428340563 /nfs/dbraw/zinc/34/05/63/428340563.db2.gz PQPZPGKGCUIZRK-XHSDSOJGSA-N 2 0 304.434 2.653 20 0 DFADRP CCOc1ccc(C[N@@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)cc1OCC ZINC000346851089 428345753 /nfs/dbraw/zinc/34/57/53/428345753.db2.gz QEGJQCABTNCIPE-HRCADAONSA-N 2 0 304.434 2.653 20 0 DFADRP CC[C@@H]1[NH2+]CC[C@@H]1c1nc(-c2ccc(C[NH+](C)C)cc2)no1 ZINC000356884918 428347688 /nfs/dbraw/zinc/34/76/88/428347688.db2.gz PSGKREULUCALMY-GJZGRUSLSA-N 2 0 300.406 2.654 20 0 DFADRP C[C@@H]1CSC[C@@H]1[NH2+]Cc1ccc(OCCC[NH+](C)C)cc1 ZINC000353014546 428352575 /nfs/dbraw/zinc/35/25/75/428352575.db2.gz DRLVDMIKTCPGLD-PBHICJAKSA-N 2 0 308.491 2.858 20 0 DFADRP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]CC1CC[NH+](Cc2ccccc2)CC1 ZINC000360575543 428354452 /nfs/dbraw/zinc/35/44/52/428354452.db2.gz YXCCFJMIOXEAAF-XLIONFOSSA-N 2 0 315.505 2.828 20 0 DFADRP c1cn2c(n1)CC[C@H]([NH2+]C1CC[NH+](C3CCCCC3)CC1)C2 ZINC000371479210 428392799 /nfs/dbraw/zinc/39/27/99/428392799.db2.gz DWLUXMVGZBHALI-INIZCTEOSA-N 2 0 302.466 2.585 20 0 DFADRP C[C@@H](C(=O)NCCCCC[NH+]1CCCC1)[NH+]1CCCCCC1 ZINC000357109545 428393057 /nfs/dbraw/zinc/39/30/57/428393057.db2.gz IXWPGRXQBGYXHA-KRWDZBQOSA-N 2 0 309.498 2.633 20 0 DFADRP c1cn2c(n1)CC[C@@H]([NH2+]C1CC[NH+](C3CCCCC3)CC1)C2 ZINC000371479211 428393305 /nfs/dbraw/zinc/39/33/05/428393305.db2.gz DWLUXMVGZBHALI-MRXNPFEDSA-N 2 0 302.466 2.585 20 0 DFADRP COC(=O)[C@@H]1CC[C@@H](c2ccccc2)[N@@H+]1C[C@H]1CC[NH2+][C@H](C)C1 ZINC000414751211 428393656 /nfs/dbraw/zinc/39/36/56/428393656.db2.gz AAMGUXZLMNCWPH-FZCLSBEQSA-N 2 0 316.445 2.753 20 0 DFADRP C[NH+](C)Cc1cccc(C(=O)NCCCCC[NH+]2CCCC2)c1 ZINC000357114566 428395247 /nfs/dbraw/zinc/39/52/47/428395247.db2.gz XJHZFZPQWQNFFN-UHFFFAOYSA-N 2 0 317.477 2.744 20 0 DFADRP C[C@@H](c1ccccc1)N(C)C(=O)C[N@H+](C)C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000414764716 428398507 /nfs/dbraw/zinc/39/85/07/428398507.db2.gz OUFZBHXEKBYLMW-IXDOHACOSA-N 2 0 317.477 2.526 20 0 DFADRP Clc1ccccc1[C@H]1CCC[C@H]1[NH2+]CCCN1CC[NH2+]CC1 ZINC000414775375 428399761 /nfs/dbraw/zinc/39/97/61/428399761.db2.gz CHQWYZMDJIJSMP-SJLPKXTDSA-N 2 0 321.896 2.861 20 0 DFADRP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]CC1CC[NH+](Cc2cccs2)CC1 ZINC000360690263 428400285 /nfs/dbraw/zinc/40/02/85/428400285.db2.gz MVWRECGOQNZWQC-CRAIPNDOSA-N 2 0 321.534 2.890 20 0 DFADRP c1cc(-c2n[nH]cc2C[N@@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)cs1 ZINC000414774624 428400409 /nfs/dbraw/zinc/40/04/09/428400409.db2.gz FMZVKKUSAIMANY-UONOGXRCSA-N 2 0 316.474 2.960 20 0 DFADRP C[C@H]([NH3+])C1CC[NH+](Cc2ccc(OC(F)F)c(F)c2)CC1 ZINC000346996985 428401635 /nfs/dbraw/zinc/40/16/35/428401635.db2.gz BXKQZDBCKVWMOS-JTQLQIEISA-N 2 0 302.340 2.986 20 0 DFADRP CCN(CCC[NH+](CC)CC)C(=O)CC[C@H]1CCCC[N@@H+]1C ZINC000357130678 428401688 /nfs/dbraw/zinc/40/16/88/428401688.db2.gz XONDDHBMVGVCBN-QGZVFWFLSA-N 2 0 311.514 2.831 20 0 DFADRP C[C@H](CC[N@@H+]1C[C@H](C[NH3+])C2(C1)CCOCC2)c1ccccc1 ZINC000414775723 428403044 /nfs/dbraw/zinc/40/30/44/428403044.db2.gz GNGDJFPAYZTOCO-AEFFLSMTSA-N 2 0 302.462 2.868 20 0 DFADRP CC[NH2+]CC1CC[NH+](Cc2cn(C)nc2-c2ccccc2)CC1 ZINC000347004598 428404712 /nfs/dbraw/zinc/40/47/12/428404712.db2.gz AESLUZHYBNDRCQ-UHFFFAOYSA-N 2 0 312.461 2.909 20 0 DFADRP Brc1ccc(C[N@@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)nc1 ZINC000414785734 428406076 /nfs/dbraw/zinc/40/60/76/428406076.db2.gz TVTFQRDGLMIDQU-CHWSQXEVSA-N 2 0 324.266 2.666 20 0 DFADRP CC(C)c1ccc(NC(=O)C[C@@H](C)[NH2+]C2CC[NH2+]CC2)cc1 ZINC000414783269 428406104 /nfs/dbraw/zinc/40/61/04/428406104.db2.gz QJOKISKBJPPKRR-CQSZACIVSA-N 2 0 303.450 2.869 20 0 DFADRP COc1cc(C[N@@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)cc(OC)c1 ZINC000414781692 428407358 /nfs/dbraw/zinc/40/73/58/428407358.db2.gz NLSRLTDPZAOQRB-HOTGVXAUSA-N 2 0 304.434 2.525 20 0 DFADRP COc1ccc(C[N@@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)c(OC)c1 ZINC000414790103 428414473 /nfs/dbraw/zinc/41/44/73/428414473.db2.gz ZLEDZNBCYRDCIR-LSDHHAIUSA-N 2 0 304.434 2.525 20 0 DFADRP Cc1ccc([C@H]2CCC[C@@H]2[NH2+]CCCN2CC[NH2+]CC2)cc1 ZINC000414782346 428407760 /nfs/dbraw/zinc/40/77/60/428407760.db2.gz OQMYPIZNWJOJMB-MOPGFXCFSA-N 2 0 301.478 2.516 20 0 DFADRP Cn1cc(C[N@@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)c(C(C)(C)C)n1 ZINC000414782716 428407805 /nfs/dbraw/zinc/40/78/05/428407805.db2.gz ORYUXMYJLLUXJW-CABCVRRESA-N 2 0 304.482 2.539 20 0 DFADRP Cc1nn(-c2ccc(Cl)cc2)cc1CN1CC[C@H](C[NH3+])C1 ZINC000347010256 428408172 /nfs/dbraw/zinc/40/81/72/428408172.db2.gz GFZFJYMANSWLPE-CYBMUJFWSA-N 2 0 304.825 2.615 20 0 DFADRP CC[NH2+]CC1CC[NH+](Cc2ccccc2OCCOC)CC1 ZINC000347010087 428408907 /nfs/dbraw/zinc/40/89/07/428408907.db2.gz FUXLLIUHGSWLOG-UHFFFAOYSA-N 2 0 306.450 2.533 20 0 DFADRP [NH3+]C[C@H]1C[N@H+](Cc2ccc(C(F)F)cc2)CC12CCOCC2 ZINC000414788886 428409397 /nfs/dbraw/zinc/40/93/97/428409397.db2.gz XLRWSTIRDPGGDQ-HNNXBMFYSA-N 2 0 310.388 2.812 20 0 DFADRP FC(F)(F)c1cccnc1C[N@@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000414786827 428410230 /nfs/dbraw/zinc/41/02/30/428410230.db2.gz UYJSNZVJAACAOH-OLZOCXBDSA-N 2 0 313.367 2.922 20 0 DFADRP CCOc1ccc(C[N@@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)cc1OC ZINC000414789691 428410485 /nfs/dbraw/zinc/41/04/85/428410485.db2.gz YLXLOYLZSJRCFH-IAGOWNOFSA-N 2 0 318.461 2.915 20 0 DFADRP c1[nH]nc(-c2ccccc2)c1C[N@@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000414789761 428410853 /nfs/dbraw/zinc/41/08/53/428410853.db2.gz YWMVEBRSIVIUMJ-IRXDYDNUSA-N 2 0 310.445 2.898 20 0 DFADRP COc1ccc(C[NH2+][C@@H]2CCC[C@@H]2C[NH3+])cc1Br ZINC000414785900 428410920 /nfs/dbraw/zinc/41/09/20/428410920.db2.gz ABUXOHOHNLGDKB-DGCLKSJQSA-N 2 0 313.239 2.675 20 0 DFADRP COc1ccc(Br)cc1C[NH2+][C@H]1CCC[C@@H]1C[NH3+] ZINC000414791576 428412480 /nfs/dbraw/zinc/41/24/80/428412480.db2.gz HYGPHSIDKHRGIP-MFKMUULPSA-N 2 0 313.239 2.675 20 0 DFADRP CC(C)[N@H+](C)CC(=O)Nc1cccc(CC[NH+](C)C2CC2)c1 ZINC000342225782 428357444 /nfs/dbraw/zinc/35/74/44/428357444.db2.gz UVZBNXQYHFYRAL-UHFFFAOYSA-N 2 0 303.450 2.602 20 0 DFADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]CC[C@@H]2CCCCO2)[C@@H](C)C1 ZINC000356920568 428360124 /nfs/dbraw/zinc/36/01/24/428360124.db2.gz QAAXERWLIZRIKI-BZSNNMDCSA-N 2 0 312.498 2.672 20 0 DFADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]CC[C@H]2CCCCO2)[C@@H](C)C1 ZINC000356920569 428360412 /nfs/dbraw/zinc/36/04/12/428360412.db2.gz QAAXERWLIZRIKI-KSZLIROESA-N 2 0 312.498 2.672 20 0 DFADRP [NH3+]C[C@@H]1CCC[C@H]1[NH2+]Cc1cccc(OCC(F)(F)F)c1 ZINC000414794830 428413255 /nfs/dbraw/zinc/41/32/55/428413255.db2.gz MGIREYYDDMCENS-GXTWGEPZSA-N 2 0 302.340 2.845 20 0 DFADRP C[N@@H+]1CC[C@H](Nc2ncnc3[nH]ccc32)[C@H]1c1ccc(F)cc1 ZINC000371107767 428362301 /nfs/dbraw/zinc/36/23/01/428362301.db2.gz PMSXZKQJQLYVRX-LSDHHAIUSA-N 2 0 311.364 2.954 20 0 DFADRP [NH3+]C[C@H]1CCCC[C@@H]1[NH2+]Cc1ccc(Oc2cnccn2)cc1 ZINC000414792959 428413290 /nfs/dbraw/zinc/41/32/90/428413290.db2.gz CUFUQGKDVXBWRP-WBVHZDCISA-N 2 0 312.417 2.876 20 0 DFADRP Cc1cccc(C(=O)N2CCCN(C[C@H]([NH3+])CC(C)C)CC2)c1 ZINC000414673171 428371127 /nfs/dbraw/zinc/37/11/27/428371127.db2.gz INOZEGANSVJNPL-GOSISDBHSA-N 2 0 317.477 2.516 20 0 DFADRP C[C@@H]1C[C@H](C[N@@H+]2CCC[C@@H](C[NH+]3CCCC[C@H]3C)C2)CC[NH2+]1 ZINC000414689846 428375644 /nfs/dbraw/zinc/37/56/44/428375644.db2.gz LWFPFIMMNXYTOI-NCXUSEDFSA-N 3 0 307.526 2.961 20 0 DFADRP Cc1ccccc1NC(=O)[C@H](C)[NH+]1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000357068985 428376379 /nfs/dbraw/zinc/37/63/79/428376379.db2.gz DWMYNKZUMHLSDB-DOTOQJQBSA-N 2 0 315.461 2.644 20 0 DFADRP COCC[N@H+](CCCc1ccccc1)C[C@H]1CC[NH2+][C@@H](C)C1 ZINC000414684277 428376936 /nfs/dbraw/zinc/37/69/36/428376936.db2.gz CZPQBJBZGMKMAC-HKUYNNGSSA-N 2 0 304.478 2.956 20 0 DFADRP C[C@@H]1C[C@H](C[N@@H+]2CCC[C@@H]2c2cccc3c2OCCO3)CC[NH2+]1 ZINC000414693707 428378860 /nfs/dbraw/zinc/37/88/60/428378860.db2.gz MXADPNLDBNGLCW-BFYDXBDKSA-N 2 0 316.445 2.983 20 0 DFADRP COc1cc(C)c(C[NH+]2CCC([C@H]3CC[NH2+]C3)CC2)c(C)n1 ZINC000357071133 428380422 /nfs/dbraw/zinc/38/04/22/428380422.db2.gz GHVMLHQWCSQVPA-INIZCTEOSA-N 2 0 303.450 2.529 20 0 DFADRP CC[N@H+](C[C@@H]1CC[NH2+][C@H](C)C1)[C@@H](COC)Cc1ccccc1 ZINC000414708751 428381322 /nfs/dbraw/zinc/38/13/22/428381322.db2.gz PHBHLDCRFNHCKB-BHIYHBOVSA-N 2 0 304.478 2.954 20 0 DFADRP [NH3+]CCOCC[N@@H+]1CCC[C@H]1c1cccc(Br)c1 ZINC000357089984 428381823 /nfs/dbraw/zinc/38/18/23/428381823.db2.gz QKYOARDIDHRMSK-AWEZNQCLSA-N 2 0 313.239 2.561 20 0 DFADRP Clc1cc(C[NH2+]CC[C@@H]2CCC[NH2+]C2)cc2c1OCCCO2 ZINC000414853634 428434068 /nfs/dbraw/zinc/43/40/68/428434068.db2.gz SDYYOXHYROWWSD-ZDUSSCGKSA-N 2 0 324.852 2.981 20 0 DFADRP C[C@H]([NH3+])[C@H]1CCC[N@H+](Cc2cn(C)nc2-c2cccs2)C1 ZINC000347090428 428438941 /nfs/dbraw/zinc/43/89/41/428438941.db2.gz GBYXKNZDUXDOOP-STQMWFEESA-N 2 0 304.463 2.708 20 0 DFADRP CC[C@H]1C[C@@H](C[NH2+]CC2(SC)CC[NH+](C)CC2)CCO1 ZINC000353225567 428439129 /nfs/dbraw/zinc/43/91/29/428439129.db2.gz XOXOKZYMIHBSNM-GJZGRUSLSA-N 2 0 300.512 2.609 20 0 DFADRP CC(C)c1ccccc1NC(=O)C[C@H](C)[NH2+]CC1([NH3+])CCC1 ZINC000414878681 428441338 /nfs/dbraw/zinc/44/13/38/428441338.db2.gz OPHWLQYHMGBWNH-AWEZNQCLSA-N 2 0 303.450 2.998 20 0 DFADRP COc1cccc(CN2C[C@@H]3C[N@@H+]4CCCC[C@H]4[C@@H]3C2)c1OC ZINC000360792451 428441459 /nfs/dbraw/zinc/44/14/59/428441459.db2.gz VSIYAQGMLPYRCC-ZACQAIPSSA-N 2 0 316.445 2.620 20 0 DFADRP C[C@H](Cc1ccc(Br)c(F)c1)[NH2+]C[C@H]([NH3+])C1CC1 ZINC000414883303 428443441 /nfs/dbraw/zinc/44/34/41/428443441.db2.gz DIURWZJNOUKGPD-OTYXRUKQSA-N 2 0 315.230 2.846 20 0 DFADRP C[C@@H](Cc1ccc(Br)c(F)c1)[NH2+]C[C@@H]([NH3+])C1CC1 ZINC000414883301 428444169 /nfs/dbraw/zinc/44/41/69/428444169.db2.gz DIURWZJNOUKGPD-LKFCYVNXSA-N 2 0 315.230 2.846 20 0 DFADRP [NH3+]C1(CNC2CC[NH+](Cc3ccccc3Cl)CC2)CCC1 ZINC000414881671 428444359 /nfs/dbraw/zinc/44/43/59/428444359.db2.gz SNKRAVCEFGCFDD-UHFFFAOYSA-N 2 0 307.869 2.775 20 0 DFADRP COCc1ccc(C[NH2+]CC2(SC)CC[NH+](C)CC2)cc1 ZINC000353234865 428445121 /nfs/dbraw/zinc/44/51/21/428445121.db2.gz YRMGCFBAFRRJJA-UHFFFAOYSA-N 2 0 308.491 2.750 20 0 DFADRP Cc1ccc(NC(=O)C[C@@H](C)[NH2+]C[C@H]([NH3+])C2CC2)cc1Cl ZINC000414881531 428445237 /nfs/dbraw/zinc/44/52/37/428445237.db2.gz AOXFTWWRYDPAHP-ABAIWWIYSA-N 2 0 309.841 2.692 20 0 DFADRP COCCCOc1cccc(C[NH+]2CCC([C@@H](C)[NH3+])CC2)c1 ZINC000347098507 428445537 /nfs/dbraw/zinc/44/55/37/428445537.db2.gz IVWIIALROXFMRB-OAHLLOKOSA-N 2 0 306.450 2.661 20 0 DFADRP CC[NH2+]CC1CC[NH+](Cc2ccc(OCC)c(OC)c2)CC1 ZINC000347151366 428470343 /nfs/dbraw/zinc/47/03/43/428470343.db2.gz ATJPKXAACOTCOA-UHFFFAOYSA-N 2 0 306.450 2.915 20 0 DFADRP CCC[N@H+](C)CC(=O)NC[C@@H]1CCC[NH+](C)[C@@H]1c1cccs1 ZINC000357228516 428445762 /nfs/dbraw/zinc/44/57/62/428445762.db2.gz XZDHZEWKLVEKSV-YOEHRIQHSA-N 2 0 323.506 2.589 20 0 DFADRP Cc1ccc(NC(=O)C[C@H](C)[NH2+]CC2([NH3+])CCC2)c(Cl)c1 ZINC000414887727 428445915 /nfs/dbraw/zinc/44/59/15/428445915.db2.gz ZHKPPNZIKFQKPS-LBPRGKRZSA-N 2 0 309.841 2.837 20 0 DFADRP CCC[N@H+](C)CC(=O)NC[C@H]1CCC[NH+](C)[C@@H]1c1cccs1 ZINC000357228510 428446744 /nfs/dbraw/zinc/44/67/44/428446744.db2.gz XZDHZEWKLVEKSV-PBHICJAKSA-N 2 0 323.506 2.589 20 0 DFADRP [NH3+][C@@H](CNC1CC[NH+](Cc2ccc(Cl)cc2)CC1)C1CC1 ZINC000414888002 428447028 /nfs/dbraw/zinc/44/70/28/428447028.db2.gz JMCHUFZOGIDAQU-KRWDZBQOSA-N 2 0 307.869 2.631 20 0 DFADRP C[C@H]1C[N@H+](Cc2cccc(OCC(F)(F)F)c2)CC[C@H]1[NH3+] ZINC000347108388 428449231 /nfs/dbraw/zinc/44/92/31/428449231.db2.gz MRXPOVGVDUYDIP-SMDDNHRTSA-N 2 0 302.340 2.797 20 0 DFADRP Cc1ccc(NC(=O)C[C@H](C)[NH2+]CC2(C)CC[NH2+]CC2)c(C)c1 ZINC000414896025 428449507 /nfs/dbraw/zinc/44/95/07/428449507.db2.gz ARBGGMGEVRGOHP-INIZCTEOSA-N 2 0 317.477 3.000 20 0 DFADRP C[C@@H](CC(=O)Nc1cccc(F)c1)[NH2+]CC1(C)CC[NH2+]CC1 ZINC000414897330 428449865 /nfs/dbraw/zinc/44/98/65/428449865.db2.gz DOZUJUKYMKZPQW-ZDUSSCGKSA-N 2 0 307.413 2.522 20 0 DFADRP C[C@H]([NH3+])C1CC[NH+](Cc2nc3ccc(Cl)cc3n2C)CC1 ZINC000347111851 428450990 /nfs/dbraw/zinc/45/09/90/428450990.db2.gz QBYAQRBFIRZXPN-NSHDSACASA-N 2 0 306.841 2.786 20 0 DFADRP C[C@H](O)C[N@H+](C)C1CC[NH+](C[C@@H]2C[C@H]2c2ccccc2)CC1 ZINC000353254461 428452065 /nfs/dbraw/zinc/45/20/65/428452065.db2.gz NXBLRCMGZJDDCR-IEZWGBDMSA-N 2 0 302.462 2.567 20 0 DFADRP Cc1nn(Cc2ccccc2)c(C)c1C[NH2+][C@H]1CCC[C@@H]([NH3+])C1 ZINC000414908259 428452197 /nfs/dbraw/zinc/45/21/97/428452197.db2.gz BEFCHZHXKAXZPS-MSOLQXFVSA-N 2 0 312.461 2.908 20 0 DFADRP C[C@H]([NH3+])C1CC[NH+](Cc2c[nH]nc2-c2ccccc2F)CC1 ZINC000347117841 428453549 /nfs/dbraw/zinc/45/35/49/428453549.db2.gz XFOCDOLSCHDXMI-LBPRGKRZSA-N 2 0 302.397 2.775 20 0 DFADRP C[NH2+]CC1CC[NH+](Cc2cn(C)nc2-c2cccs2)CC1 ZINC000347117660 428454087 /nfs/dbraw/zinc/45/40/87/428454087.db2.gz WXQINKBANIMPTN-UHFFFAOYSA-N 2 0 304.463 2.580 20 0 DFADRP [NH3+]CCN(CCO)Cc1ccc(-c2cccc(Cl)c2)s1 ZINC000414909949 428454154 /nfs/dbraw/zinc/45/41/54/428454154.db2.gz HGKXFGADCGEQSH-UHFFFAOYSA-N 2 0 310.850 2.822 20 0 DFADRP C[C@H]([NH2+]CC(C)(C)N1CC[NH+](C)CC1)[C@@H]1CC2CCC1CC2 ZINC000381721939 428454266 /nfs/dbraw/zinc/45/42/66/428454266.db2.gz RRBODBCIFQVVRA-BFWZDYSYSA-N 2 0 307.526 2.817 20 0 DFADRP Cc1nn(Cc2ccccc2)c(C)c1C[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000414910012 428454754 /nfs/dbraw/zinc/45/47/54/428454754.db2.gz FDTTVGLZAOPYSM-GOSISDBHSA-N 2 0 312.461 2.780 20 0 DFADRP CCOc1cc(C[NH2+][C@@H]2CCC[NH2+]CC2)ccc1OC(F)F ZINC000414920813 428456311 /nfs/dbraw/zinc/45/63/11/428456311.db2.gz ZILUCEFKBGCBRW-CYBMUJFWSA-N 2 0 314.376 2.918 20 0 DFADRP CCC[C@H]([NH2+]CC(=O)NC1CC[NH+](CC)CC1)c1ccccc1 ZINC000357256287 428456467 /nfs/dbraw/zinc/45/64/67/428456467.db2.gz KGGRFXGSAJTELU-SFHVURJKSA-N 2 0 317.477 2.718 20 0 DFADRP C[C@H](Cc1ccc(Br)cc1F)[NH2+]C[C@H]1CC[NH2+]C1 ZINC000414918402 428456525 /nfs/dbraw/zinc/45/65/25/428456525.db2.gz UDENQJNBCWEXBJ-MNOVXSKESA-N 2 0 315.230 2.718 20 0 DFADRP C[C@H]1[NH2+]CCC[C@H]1NCC(C)(C)C[N@H+](C)Cc1ccccc1 ZINC000414953968 428470669 /nfs/dbraw/zinc/47/06/69/428470669.db2.gz MIDJBILHVNLGJD-SJLPKXTDSA-N 2 0 303.494 2.875 20 0 DFADRP CC[NH+]1CCN([C@H](C)C[NH2+][C@@H](c2cccnc2)C2CCC2)CC1 ZINC000360837711 428459006 /nfs/dbraw/zinc/45/90/06/428459006.db2.gz QUYSRMDVRUUDGB-VQIMIIECSA-N 2 0 316.493 2.538 20 0 DFADRP C[C@H]1C[C@@H](NC2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)CC[NH2+]1 ZINC000414942926 428464812 /nfs/dbraw/zinc/46/48/12/428464812.db2.gz DUCKBAVCGUYBNY-VJAOCGABSA-N 2 0 313.489 2.912 20 0 DFADRP CC[NH+](CC)Cc1ccc(CNC(=O)C[C@@H]([NH3+])C(C)C)cc1 ZINC000388674918 428465619 /nfs/dbraw/zinc/46/56/19/428465619.db2.gz SKFPMHHSBBOLJV-QGZVFWFLSA-N 2 0 305.466 2.518 20 0 DFADRP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]Cc1cc(Cl)c2c(c1)OCCCO2 ZINC000414800137 428415336 /nfs/dbraw/zinc/41/53/36/428415336.db2.gz RVAHKBRZLIRYGM-JSGCOSHPSA-N 2 0 310.825 2.718 20 0 DFADRP Cc1ccc(NC(=O)C[C@@H](C)[NH2+]C[C@@H]([NH3+])C(C)C)cc1Cl ZINC000414802806 428417038 /nfs/dbraw/zinc/41/70/38/428417038.db2.gz VYLGVDYXHJGXAF-IUODEOHRSA-N 2 0 311.857 2.938 20 0 DFADRP COc1cc2c(cc1C[NH2+]Cc1ccc([C@@H](C)[NH3+])cc1)OCO2 ZINC000414811932 428418656 /nfs/dbraw/zinc/41/86/56/428418656.db2.gz QGZKONKEBVXBMY-GFCCVEGCSA-N 2 0 314.385 2.733 20 0 DFADRP C[N@@H+]1CCC[C@@H]2C[NH+](C[C@H](O)Cc3cccc(Cl)c3)CC[C@@H]21 ZINC000347045959 428422624 /nfs/dbraw/zinc/42/26/24/428422624.db2.gz GTVPQSVSPMSTRP-NXHRZFHOSA-N 2 0 322.880 2.660 20 0 DFADRP C[C@@H]1C[C@@H]([NH2+]CC[C@H]2CC[NH2+]C2)CCN1Cc1ccccc1 ZINC000414826468 428423764 /nfs/dbraw/zinc/42/37/64/428423764.db2.gz FOAHJJQCWLDWKN-LMMKCTJWSA-N 2 0 301.478 2.629 20 0 DFADRP C[C@@H]([NH3+])CC[NH2+][C@H](C)Cc1ccc(Br)cc1F ZINC000414825184 428423873 /nfs/dbraw/zinc/42/38/73/428423873.db2.gz SBWZKOILDDPERT-NXEZZACHSA-N 2 0 303.219 2.846 20 0 DFADRP C[N@H+](C[C@@H](O)Cc1cccc(Cl)c1)C[C@@H]1CCC[NH+](C)C1 ZINC000347048031 428424352 /nfs/dbraw/zinc/42/43/52/428424352.db2.gz HRWRFZGNRXRIAQ-WBVHZDCISA-N 2 0 310.869 2.517 20 0 DFADRP Cc1cccc(NC(=O)C[C@H](C)[NH2+]CC[C@@H]2CC[NH2+]C2)c1C ZINC000414827153 428424951 /nfs/dbraw/zinc/42/49/51/428424951.db2.gz GRTRINHTJQCGKW-HOCLYGCPSA-N 2 0 303.450 2.610 20 0 DFADRP C[C@H]([NH3+])CC[NH2+]Cc1c[nH]nc1-c1ccc(C(F)(F)F)cc1 ZINC000414826472 428425402 /nfs/dbraw/zinc/42/54/02/428425402.db2.gz VZUXVTFARKHLDW-JTQLQIEISA-N 2 0 312.339 2.922 20 0 DFADRP c1ccc(OCc2cccnc2)c(C[NH2+]CC[C@H]2CC[NH2+]C2)c1 ZINC000414832746 428427127 /nfs/dbraw/zinc/42/71/27/428427127.db2.gz ORISXTSKXDFMKC-MRXNPFEDSA-N 2 0 311.429 2.750 20 0 DFADRP Cn1cc(-c2ccc(C[NH2+]CC[C@H]3CCC[NH2+]C3)s2)cn1 ZINC000414832637 428427136 /nfs/dbraw/zinc/42/71/36/428427136.db2.gz FIRRQEWYFNGBSE-CYBMUJFWSA-N 2 0 304.463 2.628 20 0 DFADRP CCN(CC)c1ncc(CN[C@@H](C[NH3+])C2CCCCC2)s1 ZINC000414835717 428428098 /nfs/dbraw/zinc/42/80/98/428428098.db2.gz HPABDISPPOWXMF-HNNXBMFYSA-N 2 0 310.511 2.987 20 0 DFADRP c1nc(-c2ccccn2)sc1C[NH2+]CC[C@@H]1CCC[NH2+]C1 ZINC000414843828 428429342 /nfs/dbraw/zinc/42/93/42/428429342.db2.gz CYUHUZZXGPWHAU-ZDUSSCGKSA-N 2 0 302.447 2.684 20 0 DFADRP Cc1nn(Cc2ccccc2)c(C)c1C[NH2+]CC[C@@H]1CC[NH2+]C1 ZINC000414839325 428430033 /nfs/dbraw/zinc/43/00/33/428430033.db2.gz VZGDYGSEADSKAY-KRWDZBQOSA-N 2 0 312.461 2.637 20 0 DFADRP Cc1ccc(NC(=O)C[C@H](C)[NH2+]CC[C@H]2CC[NH2+]C2)c(Cl)c1 ZINC000414842969 428430253 /nfs/dbraw/zinc/43/02/53/428430253.db2.gz ZWRMXJHIZQWLBN-UONOGXRCSA-N 2 0 323.868 2.955 20 0 DFADRP C[NH2+]C[C@H](C)C[NH2+]Cc1ccc(OCC(F)(F)F)c(F)c1 ZINC000414843214 428430544 /nfs/dbraw/zinc/43/05/44/428430544.db2.gz PXFWBNGGIULAFL-JTQLQIEISA-N 2 0 308.319 2.712 20 0 DFADRP [NH3+]C1(CNC2CC[NH+](CCC(F)(F)F)CC2)CCCCC1 ZINC000414850543 428431967 /nfs/dbraw/zinc/43/19/67/428431967.db2.gz ZJKKNMYIDQZRHI-UHFFFAOYSA-N 2 0 307.404 2.654 20 0 DFADRP C[C@H]([NH2+]Cc1ccc(OC(F)F)c(F)c1)[C@@H]1CCC[NH2+]C1 ZINC000414846212 428432733 /nfs/dbraw/zinc/43/27/33/428432733.db2.gz DUQAVXLIBGJDEE-CMPLNLGQSA-N 2 0 302.340 2.905 20 0 DFADRP O=C(CC[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1)Nc1ccccc1F ZINC000391142004 428479317 /nfs/dbraw/zinc/47/93/17/428479317.db2.gz SIPOOOZTSWAMGL-HOCLYGCPSA-N 2 0 319.424 2.618 20 0 DFADRP Cn1c(C[NH2+]CCC[C@@H]2CCC[NH2+]2)nc2ccc(Cl)cc21 ZINC000414980447 428479682 /nfs/dbraw/zinc/47/96/82/428479682.db2.gz WYEJGEXQDNTMAK-CYBMUJFWSA-N 2 0 306.841 2.849 20 0 DFADRP C[C@@H]1CN(Cc2ccccc2)C[C@@H]1[NH2+]CCC[C@H]1CCC[NH2+]1 ZINC000414978716 428479922 /nfs/dbraw/zinc/47/99/22/428479922.db2.gz UJICGPVMGLLVMT-QRQLOZEOSA-N 2 0 301.478 2.629 20 0 DFADRP C[N@H+]1CC=C(C[NH2+][C@H]2CCC[C@@H](NC(=O)OC(C)(C)C)C2)CC1 ZINC000392196588 428481702 /nfs/dbraw/zinc/48/17/02/428481702.db2.gz DGQUMGAMOOATEW-JKSUJKDBSA-N 2 0 323.481 2.674 20 0 DFADRP C[C@H](c1ccccc1)N1CC[C@H]([NH2+]C[C@H]2CCC[C@H]([NH3+])C2)C1 ZINC000414996634 428482454 /nfs/dbraw/zinc/48/24/54/428482454.db2.gz GNMSYEKUUSLQDI-NEPXVJNWSA-N 2 0 301.478 2.929 20 0 DFADRP CC[C@H]([NH3+])C[NH2+][C@H](C)Cc1ccc(Br)cc1F ZINC000414996371 428482610 /nfs/dbraw/zinc/48/26/10/428482610.db2.gz XQNFAHCEJYJATF-SKDRFNHKSA-N 2 0 303.219 2.846 20 0 DFADRP Cc1csc(N2CCC([NH2+]C[C@H]3CCC[C@@H]([NH3+])C3)CC2)n1 ZINC000415001164 428486156 /nfs/dbraw/zinc/48/61/56/428486156.db2.gz KQJZGGXANKDQBI-UONOGXRCSA-N 2 0 308.495 2.527 20 0 DFADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@@H]2Cc3ccccc3N(C)C2)[C@H](C)C1 ZINC000372682034 428487183 /nfs/dbraw/zinc/48/71/83/428487183.db2.gz LJKYGUAIXGHEDX-RYRKJORJSA-N 2 0 301.478 2.615 20 0 DFADRP C[C@@H](CCCNC(=O)OC(C)(C)C)[NH2+]C[C@H]1CCC[N@H+](C)C1 ZINC000393922058 428487418 /nfs/dbraw/zinc/48/74/18/428487418.db2.gz AYJNZRQTCFCPLN-LSDHHAIUSA-N 2 0 313.486 2.611 20 0 DFADRP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1[NH2+]C[C@H]1CCOC1 ZINC000357338869 428488810 /nfs/dbraw/zinc/48/88/10/428488810.db2.gz BBFPAYWAJSLYSJ-JFIYKMOQSA-N 2 0 302.462 2.769 20 0 DFADRP C[C@@H]1C[N@@H+](CCC2CC[NH+](C[C@@H]3CCCOC3)CC2)C[C@H](C)O1 ZINC000342922423 428489464 /nfs/dbraw/zinc/48/94/64/428489464.db2.gz WHDFEYCMHUOQJQ-SCTDSRPQSA-N 2 0 324.509 2.624 20 0 DFADRP C[C@H]1CN(Cc2ccccc2)C[C@@H]1[NH2+]C[C@H]1CC[C@H](C[NH3+])CC1 ZINC000415023713 428489949 /nfs/dbraw/zinc/48/99/49/428489949.db2.gz LSSPFJXKYCLFMP-JPLJXNOCSA-N 2 0 315.505 2.862 20 0 DFADRP CC[NH+]1CCN([C@@H]2CC[N@H+](C[C@@H]3C[C@H]3c3ccccc3)C2)CC1 ZINC000353331552 428489975 /nfs/dbraw/zinc/48/99/75/428489975.db2.gz WECITSAFIPSRJY-ZCNNSNEGSA-N 2 0 313.489 2.502 20 0 DFADRP C[C@@H]([NH3+])[C@H](C)[NH2+][C@H](C)Cc1ccc(Br)cc1F ZINC000415023284 428490700 /nfs/dbraw/zinc/49/07/00/428490700.db2.gz WNTMETLMVSGETL-BBBLOLIVSA-N 2 0 303.219 2.845 20 0 DFADRP COc1cccc(NC(=O)C[C@H](C)[NH2+]C[C@H]2CCC[C@@H]([NH3+])C2)c1 ZINC000415014354 428490715 /nfs/dbraw/zinc/49/07/15/428490715.db2.gz ZKCGRBCQJXTDFY-SOUVJXGZSA-N 2 0 319.449 2.519 20 0 DFADRP Cc1nn2c(C[NH2+]C(C)(C)CCC[NH3+])c(C(C)C)nc2s1 ZINC000415016020 428490823 /nfs/dbraw/zinc/49/08/23/428490823.db2.gz OVIMICJNCHMFIE-UHFFFAOYSA-N 2 0 309.483 2.830 20 0 DFADRP COc1ccc(C[NH2+][C@H](C)CCCC[NH3+])cc1OC(F)F ZINC000415015657 428491725 /nfs/dbraw/zinc/49/17/25/428491725.db2.gz OOMGTNBCMPERJV-LLVKDONJSA-N 2 0 302.365 2.904 20 0 DFADRP c1ccc(C2CCC(C[NH2+]C[C@H]3C[NH2+]CCCO3)CC2)cc1 ZINC000415031365 428492555 /nfs/dbraw/zinc/49/25/55/428492555.db2.gz DVXBFUNUQFBIKA-NKELODKYSA-N 2 0 302.462 2.929 20 0 DFADRP CC(=O)Nc1ccc(C[N@@H+]2CCCC[C@H]2[C@H]2CC[NH2+]C2)cc1 ZINC000415036700 428495048 /nfs/dbraw/zinc/49/50/48/428495048.db2.gz GCNRHWRLTDZIAS-WMZOPIPTSA-N 2 0 301.434 2.609 20 0 DFADRP Clc1ccc([C@@H]2CCC[C@H]2[NH2+]C[C@@H]2C[NH2+]CCCO2)cc1 ZINC000415037308 428496173 /nfs/dbraw/zinc/49/61/73/428496173.db2.gz KWMZGITXGWYXME-YESZJQIVSA-N 2 0 308.853 2.944 20 0 DFADRP COc1ccc(C[NH2+][C@@H]2CC[C@H](C[NH3+])C2)cc1Br ZINC000415043406 428497164 /nfs/dbraw/zinc/49/71/64/428497164.db2.gz RWEVLOYEOAVEEK-CMPLNLGQSA-N 2 0 313.239 2.675 20 0 DFADRP CCOc1cc(C[NH2+][C@@H]2CC[C@@H](C[NH3+])C2)ccc1OC(F)F ZINC000415044514 428498343 /nfs/dbraw/zinc/49/83/43/428498343.db2.gz STVXYDPXFUGJGZ-DGCLKSJQSA-N 2 0 314.376 2.904 20 0 DFADRP CC[C@@H]([NH2+][C@@H](CC(C)C)C(=O)NCC[NH+](C)C)c1ccccc1 ZINC000347217638 428499535 /nfs/dbraw/zinc/49/95/35/428499535.db2.gz AJFKQIFLURLHTI-MSOLQXFVSA-N 2 0 319.493 2.820 20 0 DFADRP CC[C@H]([NH2+]CCC[N@@H+]1CCCC[C@@H]1C)C1(C(=O)OC)CCC1 ZINC000353357614 428500859 /nfs/dbraw/zinc/50/08/59/428500859.db2.gz WJKGRJTUDLZRBE-HOTGVXAUSA-N 2 0 310.482 2.962 20 0 DFADRP Cc1ccccc1C[C@H](C)[NH2+]C1CCC([NH+]2CCNCC2)CC1 ZINC000415050590 428501182 /nfs/dbraw/zinc/50/11/82/428501182.db2.gz ISHKULCTPIMRBW-KKXNLOMOSA-N 2 0 315.505 2.732 20 0 DFADRP C[C@@H]1[NH2+]CCC[C@@H]1N[C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000396573878 428501265 /nfs/dbraw/zinc/50/12/65/428501265.db2.gz BOENFCLBRXKJDU-ONSCTEFMSA-N 2 0 313.489 2.627 20 0 DFADRP COCC[C@H](Cc1cccc(F)c1)[N@@H+]1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000415058339 428503095 /nfs/dbraw/zinc/50/30/95/428503095.db2.gz VMTDPMRKNIXEDK-ZTFGCOKTSA-N 2 0 308.441 2.690 20 0 DFADRP COCC[C@@H](Cc1cccc(F)c1)[N@@H+]1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000415058337 428503304 /nfs/dbraw/zinc/50/33/04/428503304.db2.gz VMTDPMRKNIXEDK-FHLIZLRMSA-N 2 0 308.441 2.690 20 0 DFADRP CC[C@@H](C(=O)NCc1ccc(C[NH+](C)C)c(F)c1)[NH+](CC)CC ZINC000343016222 428506783 /nfs/dbraw/zinc/50/67/83/428506783.db2.gz SHRLVMXVMCJWJJ-KRWDZBQOSA-N 2 0 323.456 2.624 20 0 DFADRP Cc1cccc(C)c1C[NH2+]C1CCC([NH+]2CCNCC2)CC1 ZINC000415060726 428507176 /nfs/dbraw/zinc/50/71/76/428507176.db2.gz XJUHJFXYUZCLKA-UHFFFAOYSA-N 2 0 301.478 2.609 20 0 DFADRP C[C@@H](CCc1ccc2c(c1)OCO2)[N@@H+]1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000415062001 428508022 /nfs/dbraw/zinc/50/80/22/428508022.db2.gz XMPBXMNTIYBSPF-QWQRMKEZSA-N 2 0 304.434 2.653 20 0 DFADRP CCc1noc(-c2ccc(CC[NH2+]C[C@@H]([NH3+])CC(C)C)cc2)n1 ZINC000415073185 428509107 /nfs/dbraw/zinc/50/91/07/428509107.db2.gz AQMMJSKBYNBOHH-INIZCTEOSA-N 2 0 316.449 2.805 20 0 DFADRP Cc1cccc(NC(=O)C[C@H](C)[NH2+]CCC[NH2+]C2CC2)c1C ZINC000415069527 428509537 /nfs/dbraw/zinc/50/95/37/428509537.db2.gz OUUVDTPRYPERRU-AWEZNQCLSA-N 2 0 303.450 2.752 20 0 DFADRP C[C@@H](C[C@@H]1CCC[NH2+]1)[NH2+]Cc1ccc(-n2ccnc2)c(F)c1 ZINC000415082736 428513473 /nfs/dbraw/zinc/51/34/73/428513473.db2.gz MIRBLHMXJQXDAF-ZFWWWQNUSA-N 3 0 302.397 2.632 20 0 DFADRP C[C@H]([NH2+]Cc1ccc(N2CCCCCC2)nc1)[C@@H]1CC[NH2+]C1 ZINC000415081201 428513885 /nfs/dbraw/zinc/51/38/85/428513885.db2.gz KBDBJEAUSKLUML-DOTOQJQBSA-N 2 0 302.466 2.550 20 0 DFADRP C[C@H]([NH2+]C1CCC(C[NH3+])CC1)c1noc(-c2ccccc2)n1 ZINC000415091189 428514946 /nfs/dbraw/zinc/51/49/46/428514946.db2.gz PVCUYMBCUHUKKE-OPFPJEHXSA-N 2 0 300.406 2.905 20 0 DFADRP COc1ccc(OCC[NH2+][C@@H](C)C[C@H]2CCCCC[NH2+]2)cc1 ZINC000415090820 428516238 /nfs/dbraw/zinc/51/62/38/428516238.db2.gz PCPWUCKSJMCKSJ-JKSUJKDBSA-N 2 0 306.450 2.974 20 0 DFADRP COc1ccc([C@@H](CNCC(C)(C)[NH3+])[NH+]2CCCCC2)cc1 ZINC000415085636 428516561 /nfs/dbraw/zinc/51/65/61/428516561.db2.gz QMLKDOPRWBRMCC-QGZVFWFLSA-N 2 0 305.466 2.549 20 0 DFADRP CC(C)C[C@@H]([NH2+][C@H](C)c1ccc(F)cc1)C(=O)NCC[NH+](C)C ZINC000347259207 428516628 /nfs/dbraw/zinc/51/66/28/428516628.db2.gz YIERGCSGNNTZMB-RHSMWYFYSA-N 2 0 323.456 2.569 20 0 DFADRP C[N@H+](C[C@@H]1CC12CC[NH+](CCO[C@@H]1CCCCO1)CC2)C1CC1 ZINC000373118330 428516824 /nfs/dbraw/zinc/51/68/24/428516824.db2.gz QFGURDSYMZFUPI-FUHWJXTLSA-N 2 0 322.493 2.726 20 0 DFADRP Clc1ccc(C[NH2+]C[C@H]2CC[NH2+]C2)cc1Br ZINC000398390700 428518878 /nfs/dbraw/zinc/51/88/78/428518878.db2.gz ZEASGHPUHALXQB-JTQLQIEISA-N 2 0 303.631 2.802 20 0 DFADRP Cn1cc(C[NH2+]Cc2cccc(-n3ccnc3)c2)c(C(F)F)n1 ZINC000360972555 428519644 /nfs/dbraw/zinc/51/96/44/428519644.db2.gz BGNTWAKKWLADIK-UHFFFAOYSA-N 2 0 317.343 2.833 20 0 DFADRP COCc1cccc(C[NH+]2CCC([C@H]3OCCC[C@@H]3[NH3+])CC2)c1 ZINC000415106137 428522054 /nfs/dbraw/zinc/52/20/54/428522054.db2.gz JHNYPJZFNPJOGT-RBUKOAKNSA-N 2 0 318.461 2.551 20 0 DFADRP C[N@@H+]1CCC[C@H](N2CC[NH+](CC(C)(C)c3ccccc3)CC2)C1 ZINC000373213759 428522366 /nfs/dbraw/zinc/52/23/66/428522366.db2.gz AHWYFSGRXJONQS-IBGZPJMESA-N 2 0 315.505 2.676 20 0 DFADRP Fc1ccc(CN2CCC([NH2+]C[C@@H]3CCC[NH2+]C3)CC2)cc1F ZINC000415107970 428522738 /nfs/dbraw/zinc/52/27/38/428522738.db2.gz OJECQEAPTLPXML-OAHLLOKOSA-N 2 0 323.431 2.518 20 0 DFADRP CC(C)[C@H]1OCC[C@@H]1C[NH2+][C@H]1CC[N@H+](C[C@H]2CCCO2)C[C@H]1C ZINC000373206569 428525053 /nfs/dbraw/zinc/52/50/53/428525053.db2.gz NZCTULLHXOHXOO-IEWDOMPSSA-N 2 0 324.509 2.527 20 0 DFADRP [NH3+][C@H]1CCCO[C@@H]1C1CC[NH+](Cc2cc(F)ccc2F)CC1 ZINC000415121427 428525667 /nfs/dbraw/zinc/52/56/67/428525667.db2.gz HGZNIAGXUMAVHK-DLBZAZTESA-N 2 0 310.388 2.683 20 0 DFADRP CCC[C@H](C(=O)N[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1)[NH+](C)C ZINC000343155698 428526152 /nfs/dbraw/zinc/52/61/52/428526152.db2.gz WEHKDQLMQIZAGP-CGTJXYLNSA-N 2 0 317.477 2.668 20 0 DFADRP C[C@H]1CCN(Cc2cnn(-c3ccc(Cl)cc3)c2)C[C@@H]1C[NH3+] ZINC000415120886 428526695 /nfs/dbraw/zinc/52/66/95/428526695.db2.gz GMBOPBDQTVQJNV-ZFWWWQNUSA-N 2 0 318.852 2.942 20 0 DFADRP CC[NH+]1CCN(c2cccc(NC[C@@H]3CC[NH2+][C@@H](C)C3)c2)CC1 ZINC000415116171 428526998 /nfs/dbraw/zinc/52/69/98/428526998.db2.gz ZFEWNCKDTGKJBB-DLBZAZTESA-N 2 0 316.493 2.629 20 0 DFADRP Cc1ccc(-c2ncc(CN3CCCO[C@H](C[NH3+])C3)s2)cc1 ZINC000415117217 428527385 /nfs/dbraw/zinc/52/73/85/428527385.db2.gz WQWBHELCFLTMKR-OAHLLOKOSA-N 2 0 317.458 2.668 20 0 DFADRP CCC[C@H](C(=O)N[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1)[NH+](C)C ZINC000343155701 428527808 /nfs/dbraw/zinc/52/78/08/428527808.db2.gz WEHKDQLMQIZAGP-KBAYOESNSA-N 2 0 317.477 2.668 20 0 DFADRP Cc1ccc(C[N@@H+]2CCC[C@H](n3cc(C[NH3+])nn3)C2)cc1Cl ZINC000415125511 428528550 /nfs/dbraw/zinc/52/85/50/428528550.db2.gz LIXZLCCBQPZDKD-HNNXBMFYSA-N 2 0 319.840 2.536 20 0 DFADRP CC[C@@H]1CCC[C@H](C[N@@H+]2CCC[C@@H](n3cc(C[NH3+])nn3)C2)C1 ZINC000415125491 428528705 /nfs/dbraw/zinc/52/87/05/428528705.db2.gz LHDQSIJLROXIFR-HLLBOEOZSA-N 2 0 305.470 2.590 20 0 DFADRP [NH3+]Cc1cn([C@H]2CCC[N@H+](CCCC3CCCCC3)C2)nn1 ZINC000415124219 428529083 /nfs/dbraw/zinc/52/90/83/428529083.db2.gz JZFFLGMCOWQFKD-KRWDZBQOSA-N 2 0 305.470 2.734 20 0 DFADRP CCCCOc1ccc(C[NH2+][C@@H]2CC[NH2+]C[C@H]2C)cc1OC ZINC000414960470 428471420 /nfs/dbraw/zinc/47/14/20/428471420.db2.gz QVIDXHIGKODUEA-GDBMZVCRSA-N 2 0 306.450 2.962 20 0 DFADRP C[C@H]1C[C@H](NC2CC[NH+](CCc3ccc(F)cc3)CC2)CC[NH2+]1 ZINC000414955106 428473224 /nfs/dbraw/zinc/47/32/24/428473224.db2.gz UAZOILLMQWZPKZ-HNAYVOBHSA-N 2 0 319.468 2.563 20 0 DFADRP COC[C@]1(C[NH2+][C@H]2CCC[C@@H]2Cc2ccccc2)CCC[NH2+]1 ZINC000414964877 428474174 /nfs/dbraw/zinc/47/41/74/428474174.db2.gz YUFYLKXDHRTYDN-CEXWTWQISA-N 2 0 302.462 2.756 20 0 DFADRP C[C@H]1C[NH2+]CC[C@H]1NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000390623792 428474634 /nfs/dbraw/zinc/47/46/34/428474634.db2.gz CRXQRPNIGBONIC-QFMLELGNSA-N 2 0 313.489 2.770 20 0 DFADRP C[C@H]1C[C@@H]([NH2+]Cc2c[nH]nc2-c2ccc(Cl)cc2)CC[NH2+]1 ZINC000414962757 428475060 /nfs/dbraw/zinc/47/50/60/428475060.db2.gz ZXTQAJGQOZYYAR-NHYWBVRUSA-N 2 0 304.825 2.960 20 0 DFADRP C[C@H](CCc1ccc2c(c1)OCO2)[NH2+]CCC[C@@H]1CCC[NH2+]1 ZINC000414964503 428475334 /nfs/dbraw/zinc/47/53/34/428475334.db2.gz MHSXWZKCNYOGBM-GDBMZVCRSA-N 2 0 304.434 2.858 20 0 DFADRP COCC1(C[NH2+]Cc2cccc(OCC(C)C)c2)CC[NH2+]CC1 ZINC000414972425 428477327 /nfs/dbraw/zinc/47/73/27/428477327.db2.gz KEXVOCGAUHTYCY-UHFFFAOYSA-N 2 0 320.477 2.827 20 0 DFADRP CCCc1cccc(C[NH2+][C@@H]2CCN(C3CC[NH+](C)CC3)C2)c1 ZINC000373457840 428582015 /nfs/dbraw/zinc/58/20/15/428582015.db2.gz BJMJXFDPZNKWJH-LJQANCHMSA-N 2 0 315.505 2.897 20 0 DFADRP C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)CC1(C[NH3+])CCCCC1 ZINC000361619042 428582419 /nfs/dbraw/zinc/58/24/19/428582419.db2.gz FCTZQXFWCOKJER-IYBDPMFKSA-N 2 0 309.498 2.665 20 0 DFADRP C[NH+](C)CCCOc1cnccc1C[NH2+][C@@H]1CCC12CCC2 ZINC000343937089 428594909 /nfs/dbraw/zinc/59/49/09/428594909.db2.gz PPAIGPXYJUNHEV-QGZVFWFLSA-N 2 0 303.450 2.834 20 0 DFADRP CN(CCC[N@H+](C)Cc1ccco1)CCC[NH+]1CCCCC1 ZINC000353541130 428586241 /nfs/dbraw/zinc/58/62/41/428586241.db2.gz HEJBFPSWCMRVQD-UHFFFAOYSA-N 2 0 307.482 2.909 20 0 DFADRP CN(CCC[N@H+](C)Cc1ccco1)CC[C@@H]1CCCC[NH+]1C ZINC000353545151 428586971 /nfs/dbraw/zinc/58/69/71/428586971.db2.gz RGGDMLIXGRFUCI-KRWDZBQOSA-N 2 0 307.482 2.908 20 0 DFADRP C[N@@H+]1CCC[C@H](CNC(=O)[C@@H]([NH3+])C(C)(C)C)[C@H]1c1cccs1 ZINC000361718245 428591319 /nfs/dbraw/zinc/59/13/19/428591319.db2.gz MEFNSMFZCGSMIG-VHDGCEQUSA-N 2 0 323.506 2.621 20 0 DFADRP [NH3+][C@H]1CCO[C@H](C2CC[NH+](Cc3ccc(F)c(F)c3)CC2)C1 ZINC000415130498 428532379 /nfs/dbraw/zinc/53/23/79/428532379.db2.gz XBWVZFAXIROGNS-YOEHRIQHSA-N 2 0 310.388 2.683 20 0 DFADRP COCc1cccc(C[NH+]2CCC([C@H]3C[C@H]([NH3+])CCO3)CC2)c1 ZINC000415131668 428532437 /nfs/dbraw/zinc/53/24/37/428532437.db2.gz ZXNCIQWOMMNPCY-RTBURBONSA-N 2 0 318.461 2.551 20 0 DFADRP C[C@@H]1CC[N@H+](Cc2ccc(Oc3cnccn3)cc2)C[C@H]1C[NH3+] ZINC000415128899 428532450 /nfs/dbraw/zinc/53/24/50/428532450.db2.gz OQUHVEVEYUDIKL-GDBMZVCRSA-N 2 0 312.417 2.686 20 0 DFADRP C[C@H](CC[N@@H+]1CCC[C@H](n2cc(C[NH3+])nn2)C1)c1ccccc1 ZINC000415130045 428532719 /nfs/dbraw/zinc/53/27/19/428532719.db2.gz PZRRTHVLLRWQQT-QAPCUYQASA-N 2 0 313.449 2.568 20 0 DFADRP COc1ccc(C)cc1C[NH+]1CCC([C@H]2C[C@H]([NH3+])CCO2)CC1 ZINC000415129619 428532808 /nfs/dbraw/zinc/53/28/08/428532808.db2.gz VMMHBHQIVCVORP-IEBWSBKVSA-N 2 0 318.461 2.722 20 0 DFADRP [NH3+]Cc1cn([C@H]2CCC[N@H+](Cc3cccc4ccccc43)C2)nn1 ZINC000415130692 428533216 /nfs/dbraw/zinc/53/32/16/428533216.db2.gz RKDUWHYYOCVETM-SFHVURJKSA-N 2 0 321.428 2.727 20 0 DFADRP Clc1ccsc1C[N@@H+]1CC2(CC[NH2+]CC2)[C@@H]2COC[C@@H]21 ZINC000415133112 428533329 /nfs/dbraw/zinc/53/33/29/428533329.db2.gz BSRTZPATTLATJY-YPMHNXCESA-N 2 0 312.866 2.602 20 0 DFADRP C[NH+](C)Cc1ccc(C[NH2+][C@@H]2CC[N@H+](C)[C@@H]3CCC[C@@H]32)cc1 ZINC000353434985 428533608 /nfs/dbraw/zinc/53/36/08/428533608.db2.gz KRRYVAAVSDXTLZ-GUDVDZBRSA-N 3 0 301.478 2.711 20 0 DFADRP [NH3+]CC1(O)CC[NH+](Cc2cc(-c3ccccc3)cs2)CC1 ZINC000415135282 428534213 /nfs/dbraw/zinc/53/42/13/428534213.db2.gz AUKONXKSCAOMPC-UHFFFAOYSA-N 2 0 302.443 2.701 20 0 DFADRP Clc1ccc(C[N@@H+]2CC3(CC[NH2+]CC3)[C@@H]3COC[C@@H]32)s1 ZINC000415137401 428534459 /nfs/dbraw/zinc/53/44/59/428534459.db2.gz TXAJVDMVPGMGIU-OLZOCXBDSA-N 2 0 312.866 2.602 20 0 DFADRP C[C@H]([NH2+]CCCC[NH+]1C[C@H](C)C[C@@H](C)C1)c1ccc(=O)[nH]n1 ZINC000353439212 428536582 /nfs/dbraw/zinc/53/65/82/428536582.db2.gz IFWIYRYNNKXWKM-KFWWJZLASA-N 2 0 306.454 2.591 20 0 DFADRP C[N@@H+]1CC[C@H]([NH2+]Cc2cccc(Cn3ccnc3)c2)[C@H]2CCC[C@H]21 ZINC000353439349 428537104 /nfs/dbraw/zinc/53/71/04/428537104.db2.gz WRSLWCZLDRNOTQ-HSALFYBXSA-N 2 0 324.472 2.894 20 0 DFADRP C[C@@H]([NH2+]CCCC[N@H+]1C[C@H](C)C[C@H](C)C1)c1ccc(=O)[nH]n1 ZINC000353439213 428537656 /nfs/dbraw/zinc/53/76/56/428537656.db2.gz IFWIYRYNNKXWKM-QLFBSQMISA-N 2 0 306.454 2.591 20 0 DFADRP CC[NH+](CC)[C@H](CNC(=O)[C@H](C(C)C)[C@H](C)[NH3+])c1ccccc1 ZINC000399403685 428540479 /nfs/dbraw/zinc/54/04/79/428540479.db2.gz XDGPPGXFYNQQGK-CGTJXYLNSA-N 2 0 319.493 2.805 20 0 DFADRP Cc1ccc(CCC[N@@H+]2CCCN(c3nccs3)CC2)cn1 ZINC000353448653 428540999 /nfs/dbraw/zinc/54/09/99/428540999.db2.gz LKIBDLBTEOYMHB-UHFFFAOYSA-N 2 0 316.474 2.991 20 0 DFADRP COCCOc1cccc(C[NH2+][C@@H]2CC[N@H+](C)[C@@H]3CCC[C@@H]32)c1 ZINC000353451520 428541589 /nfs/dbraw/zinc/54/15/89/428541589.db2.gz AEHZIOKUICFJSP-GUDVDZBRSA-N 2 0 318.461 2.674 20 0 DFADRP CC(C)[C@H](C(=O)NCC[C@H](C)[N@H+](C)Cc1ccccc1)[C@@H](C)[NH3+] ZINC000399696515 428542016 /nfs/dbraw/zinc/54/20/16/428542016.db2.gz ZOWSUWDUBDUISO-JZXOWHBKSA-N 2 0 319.493 2.633 20 0 DFADRP CCO[C@@H]1C[C@H]([NH2+][C@@H]2CCN([C@H](C)c3ccccc3)C2)[C@@H]1OC ZINC000361164978 428543631 /nfs/dbraw/zinc/54/36/31/428543631.db2.gz HTKFYQGYJCFRPU-FTWQHDNSSA-N 2 0 318.461 2.604 20 0 DFADRP CO[C@H](C[N@@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1)C1CC1 ZINC000400156953 428543700 /nfs/dbraw/zinc/54/37/00/428543700.db2.gz FARAHDGFQSSZAQ-SLFFLAALSA-N 2 0 314.473 2.865 20 0 DFADRP C[C@H](NC[C@H]1CCCC[N@@H+]1Cc1ccccc1)[C@@H]1CCC[NH2+]1 ZINC000400327727 428543744 /nfs/dbraw/zinc/54/37/44/428543744.db2.gz CTKXVWOWMXOVQS-UHOSZYNNSA-N 2 0 301.478 2.771 20 0 DFADRP C[C@@H](C[NH2+][C@@H](C)c1ccccc1-n1ccnn1)C[NH+]1CCCC1 ZINC000353456322 428545998 /nfs/dbraw/zinc/54/59/98/428545998.db2.gz VIXWVUUJFQCUMN-HOTGVXAUSA-N 2 0 313.449 2.650 20 0 DFADRP C[C@@H]([NH2+]CC1=CC[N@H+](C)CC1)[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000400449040 428546412 /nfs/dbraw/zinc/54/64/12/428546412.db2.gz OFKKIHMHFFMLPG-ZBFHGGJFSA-N 2 0 323.481 2.626 20 0 DFADRP COc1ccc(C[NH2+]C2CCC([NH+](C)C)CC2)c(OC)c1OC ZINC000353464225 428549605 /nfs/dbraw/zinc/54/96/05/428549605.db2.gz QAHYKDAIYNRDBF-UHFFFAOYSA-N 2 0 322.449 2.675 20 0 DFADRP c1ccc(CN2CCC[C@H]([NH2+][C@@H]3CC[C@@H]4C[NH2+]C[C@@H]4C3)C2)cc1 ZINC000401021707 428550556 /nfs/dbraw/zinc/55/05/56/428550556.db2.gz LBKYBHYPFUZAPY-WCIQWLHISA-N 3 0 313.489 2.629 20 0 DFADRP C[C@H](C[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)COCc1ccccc1 ZINC000401103359 428550685 /nfs/dbraw/zinc/55/06/85/428550685.db2.gz DPASNSDDCZLFEL-OQIJWPOYSA-N 2 0 302.462 2.817 20 0 DFADRP c1ccc(CN2CCC([NH2+][C@@H]3CC[C@@H]4C[NH2+]C[C@H]4C3)CC2)cc1 ZINC000401045806 428551194 /nfs/dbraw/zinc/55/11/94/428551194.db2.gz VRTLFVGTXOZXHA-QWFCFKBJSA-N 2 0 313.489 2.629 20 0 DFADRP C[C@@H]1[C@H]([NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)CCN1Cc1ccccc1 ZINC000401018894 428552008 /nfs/dbraw/zinc/55/20/08/428552008.db2.gz JSFPYNLKKPSWNG-XIKSMUEASA-N 3 0 313.489 2.627 20 0 DFADRP CC[NH+](CC)CCO[C@@H]1CC[N@@H+]([C@H]2C[C@H]2c2ccccc2)C1 ZINC000361310530 428555396 /nfs/dbraw/zinc/55/53/96/428555396.db2.gz TUZLURCSAPJHPC-QYZOEREBSA-N 2 0 302.462 2.975 20 0 DFADRP C[C@H](O)[C@@](C)(C[NH2+][C@H]1CC[N@H+](C)C[C@H]1C)Cc1ccccc1 ZINC000357794087 428565704 /nfs/dbraw/zinc/56/57/04/428565704.db2.gz DXGBIANAXMKHFW-KCITZHQASA-N 2 0 304.478 2.546 20 0 DFADRP C[C@@H]1CN(C(=O)CC(C)(C)[NH3+])[C@H](C)[C@H](C)[N@@H+]1Cc1ccccc1 ZINC000404312084 428566052 /nfs/dbraw/zinc/56/60/52/428566052.db2.gz LYDMWZRGPKOCJW-OWCLPIDISA-N 2 0 317.477 2.624 20 0 DFADRP C[N@@H+]1CC[C@H]([NH2+]CCN2CCc3sccc3C2)[C@H]2CCC[C@H]21 ZINC000353501040 428567351 /nfs/dbraw/zinc/56/73/51/428567351.db2.gz HQHBDYYSQVWNPJ-IXDOHACOSA-N 2 0 319.518 2.569 20 0 DFADRP C[C@H](CN[C@@H]1CC[N@H+](C)[C@H]2CCC[C@@H]21)[NH+](C)Cc1ccccc1 ZINC000353518009 428572629 /nfs/dbraw/zinc/57/26/29/428572629.db2.gz KAUQKPVGJZXJIS-AFYVEPGGSA-N 2 0 315.505 2.969 20 0 DFADRP Cc1cn2c(n1)[C@H](C[NH2+][C@@H]1CC[N@@H+](C)[C@@H]3CCC[C@H]31)CCC2 ZINC000353522076 428574993 /nfs/dbraw/zinc/57/49/93/428574993.db2.gz UAWHLLGVVQKFTC-MWDXBVQZSA-N 2 0 302.466 2.531 20 0 DFADRP CC(C)n1ncc2c1C[C@H]([NH2+][C@H]1CC[N@@H+]3CCC[C@@H]3C1)CC2 ZINC000358018497 428577721 /nfs/dbraw/zinc/57/77/21/428577721.db2.gz AWJMHFUEKGCHGY-IXDOHACOSA-N 2 0 302.466 2.538 20 0 DFADRP CCO[C@@H]1C[N@@H+]([C@H](C)c2ccc(OC(F)F)cc2)C[C@H]1C[NH3+] ZINC000405585833 428578073 /nfs/dbraw/zinc/57/80/73/428578073.db2.gz LFZZBWFOROOTHJ-UXIGCNINSA-N 2 0 314.376 2.645 20 0 DFADRP CCO[C@@H]1C[N@H+](Cc2ccc(OC)c3ccccc23)C[C@H]1C[NH3+] ZINC000405364334 428578590 /nfs/dbraw/zinc/57/85/90/428578590.db2.gz FFOZPBWFKZLMSO-DNVCBOLYSA-N 2 0 314.429 2.644 20 0 DFADRP O[C@@H](C[NH2+][C@H](CC1CCC1)c1ccccc1)C[NH+]1CCCC1 ZINC000344020992 428608158 /nfs/dbraw/zinc/60/81/58/428608158.db2.gz NATWYJGHEJCVHP-RBUKOAKNSA-N 2 0 302.462 2.964 20 0 DFADRP Cc1cc(C)n(-c2ccccc2C[NH2+][C@H]2CC[N@@H+](C)C[C@H]2C)n1 ZINC000361985354 428608749 /nfs/dbraw/zinc/60/87/49/428608749.db2.gz YJAGOPNRRAPJHQ-KDOFPFPSSA-N 2 0 312.461 2.919 20 0 DFADRP C[C@H](c1ccc(F)cc1F)[N@H+](C)CCCN(C)CC[NH+](C)C ZINC000344041504 428618867 /nfs/dbraw/zinc/61/88/67/428618867.db2.gz VYUHZQNDINCSFN-CQSZACIVSA-N 2 0 313.436 2.841 20 0 DFADRP C[NH2+]Cc1ccccc1NC(=O)NC[C@H]1CC[N@H+](CC(C)C)C1 ZINC000415909311 428622763 /nfs/dbraw/zinc/62/27/63/428622763.db2.gz FPSOWSXZSQDUIC-OAHLLOKOSA-N 2 0 318.465 2.505 20 0 DFADRP CCN(CCC[NH+]1CCCC1)C(=O)Nc1ccccc1C[NH2+]C ZINC000415920200 428626283 /nfs/dbraw/zinc/62/62/83/428626283.db2.gz JHPYBTCNTMDXJV-UHFFFAOYSA-N 2 0 318.465 2.746 20 0 DFADRP CCO[C@H]1C[C@H]([NH2+]CC2(SC)CC[NH+](C)CC2)C12CCC2 ZINC000353626015 428627683 /nfs/dbraw/zinc/62/76/83/428627683.db2.gz SWSIOWMOCQKEBA-GJZGRUSLSA-N 2 0 312.523 2.751 20 0 DFADRP C[NH2+]Cc1cccc(NC(=O)N[C@H](C)C[N@@H+]2CCC[C@H](C)C2)c1 ZINC000415924925 428629067 /nfs/dbraw/zinc/62/90/67/428629067.db2.gz ZFWFKYWZYANODR-LSDHHAIUSA-N 2 0 318.465 2.648 20 0 DFADRP CO[C@H](C[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@H]21)c1ccc(F)cc1 ZINC000353631565 428630824 /nfs/dbraw/zinc/63/08/24/428630824.db2.gz LYBDKPMRRITBNP-BSDSXHPESA-N 2 0 306.425 2.976 20 0 DFADRP CC[NH2+]Cc1cccc(NC(=O)N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000415931352 428631172 /nfs/dbraw/zinc/63/11/72/428631172.db2.gz KVOPLNSOXIGGPW-IAGOWNOFSA-N 2 0 316.449 2.544 20 0 DFADRP CC[N@@H+]1CC[C@H](N(C)C(=O)Nc2cccc(C[NH2+]C)c2)[C@@H](C)C1 ZINC000415947648 428633299 /nfs/dbraw/zinc/63/32/99/428633299.db2.gz WYSLSAKGQOGNDB-YOEHRIQHSA-N 2 0 318.465 2.600 20 0 DFADRP CC[NH2+]Cc1ccccc1NC(=O)NCC[N@H+](C)[C@H](C)CC ZINC000415938893 428633582 /nfs/dbraw/zinc/63/35/82/428633582.db2.gz BJUKYECIQQRUDA-CQSZACIVSA-N 2 0 306.454 2.648 20 0 DFADRP C[N@@H+]1CC[C@H](NC(=O)Nc2ccc(C[NH3+])cc2)[C@@H]1c1ccccc1 ZINC000415965257 428637317 /nfs/dbraw/zinc/63/73/17/428637317.db2.gz XTASWUGMLMZVLH-ROUUACIJSA-N 2 0 324.428 2.712 20 0 DFADRP COCC[C@H](COC)[NH2+]C1CC[NH+]([C@H]2CCC[C@H](C)C2)CC1 ZINC000353649779 428638898 /nfs/dbraw/zinc/63/88/98/428638898.db2.gz ORFOPARTUMYOND-JQHSSLGASA-N 2 0 312.498 2.671 20 0 DFADRP CC[NH+](CC)CCO[C@H]1CC[N@H+](CCCc2ccc(C)nc2)C1 ZINC000353654903 428641491 /nfs/dbraw/zinc/64/14/91/428641491.db2.gz WDJHWFJONXNCFU-IBGZPJMESA-N 2 0 319.493 2.755 20 0 DFADRP CCC(CC)[C@H](CNC(=O)Nc1ccc2c(c1)C[NH2+]C2)[NH+](C)C ZINC000415994845 428643720 /nfs/dbraw/zinc/64/37/20/428643720.db2.gz IXTWDHXJKVYVSY-KRWDZBQOSA-N 2 0 318.465 2.778 20 0 DFADRP C[C@H]1C[C@H]([NH2+]CC2CC[NH+](C)CC2)CCN1Cc1ccccc1 ZINC000358711934 428635682 /nfs/dbraw/zinc/63/56/82/428635682.db2.gz DSFYQRWAVMORPY-FXAWDEMLSA-N 2 0 315.505 2.971 20 0 DFADRP C[C@H]1CC[C@H](C[N@H+](C)CC2CCN(c3cc[nH+]cc3)CC2)O1 ZINC000373699292 428636226 /nfs/dbraw/zinc/63/62/26/428636226.db2.gz IBANVXDHUBJGFH-MAUKXSAKSA-N 2 0 303.450 2.797 20 0 DFADRP C[C@@H]1CC[C@H](C[N@H+](C)CC2CCN(c3cc[nH+]cc3)CC2)O1 ZINC000373699291 428636490 /nfs/dbraw/zinc/63/64/90/428636490.db2.gz IBANVXDHUBJGFH-CRAIPNDOSA-N 2 0 303.450 2.797 20 0 DFADRP COc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+]CCCC[NH+](C)C)CC3 ZINC000273082706 274120257 /nfs/dbraw/zinc/12/02/57/274120257.db2.gz PRNAVILHOQFKJI-CQSZACIVSA-N 2 0 315.461 2.965 20 0 DFADRP CC[N@@H+]1CC[C@@H](N(C)C(=O)Nc2ccc3c(c2)C[NH2+]C3)C[C@@H]1C ZINC000416000284 428647480 /nfs/dbraw/zinc/64/74/80/428647480.db2.gz WQZPERYIIFWAAT-SUMWQHHRSA-N 2 0 316.449 2.626 20 0 DFADRP FC(F)(F)COc1ccc(CN2C[C@@H]3[NH2+]CCC[C@H]3C2)cc1 ZINC000353675437 428651780 /nfs/dbraw/zinc/65/17/80/428651780.db2.gz UPEBRCWGODLESE-ZFWWWQNUSA-N 2 0 314.351 2.812 20 0 DFADRP FC(F)(F)COc1ccc(CN2C[C@H]3CCC[NH2+][C@@H]3C2)cc1 ZINC000353675436 428653128 /nfs/dbraw/zinc/65/31/28/428653128.db2.gz UPEBRCWGODLESE-UKRRQHHQSA-N 2 0 314.351 2.812 20 0 DFADRP FC(F)(F)COc1ccc(CN2C[C@H]3CCC[NH2+][C@H]3C2)cc1 ZINC000353675435 428653372 /nfs/dbraw/zinc/65/33/72/428653372.db2.gz UPEBRCWGODLESE-HIFRSBDPSA-N 2 0 314.351 2.812 20 0 DFADRP CC(C)C[C@@H](C)N(C)C(=O)C[N@@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000374074140 428661743 /nfs/dbraw/zinc/66/17/43/428661743.db2.gz IFDJPMQIPDLWIU-QGZVFWFLSA-N 2 0 323.525 2.687 20 0 DFADRP CCC[NH+]1CCC([NH2+]C[C@@H](CO)c2ccccc2Cl)CC1 ZINC000348321251 428706725 /nfs/dbraw/zinc/70/67/25/428706725.db2.gz MNWZSWXVUWWEEB-AWEZNQCLSA-N 2 0 310.869 2.880 20 0 DFADRP CC[NH+](CC)C[C@H]1CCCC[C@@H]1[NH2+]Cc1c[nH]c(C(=O)OC)c1 ZINC000344840743 428711218 /nfs/dbraw/zinc/71/12/18/428711218.db2.gz QWGGLPHXGHXQEC-CVEARBPZSA-N 2 0 321.465 2.792 20 0 DFADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]C[C@H](CO)c1ccccc1Cl ZINC000348383609 428728547 /nfs/dbraw/zinc/72/85/47/428728547.db2.gz DPDBMTQPTKYBLP-WBOJAVRRSA-N 2 0 310.869 2.734 20 0 DFADRP CC[C@@H]1CC[C@H]1[NH2+]Cc1ccccc1C[N@@H+]1CCC[C@H]1CO ZINC000348385932 428728926 /nfs/dbraw/zinc/72/89/26/428728926.db2.gz WWVDWFRIFPKNHE-AYOQOUSVSA-N 2 0 302.462 2.922 20 0 DFADRP CC[N@@H+]1C[C@H](C)N(C(=O)C[C@@H](c2ccccc2)[NH+](C)C)C[C@H]1C ZINC000416184248 428686810 /nfs/dbraw/zinc/68/68/10/428686810.db2.gz NIJBSGRSWZGRRI-RYRKJORJSA-N 2 0 317.477 2.621 20 0 DFADRP c1ccc(CN2CCC[C@@]3(CC[N@@H+]([C@H]4CCOC4)C3)C2)cc1 ZINC000348277636 428688223 /nfs/dbraw/zinc/68/82/23/428688223.db2.gz SWXNBBHTYNJYPP-RBUKOAKNSA-N 2 0 300.446 2.763 20 0 DFADRP Cc1nccn1CCC[N@@H+](C)CC(=O)Nc1ccc(C)cc1F ZINC000348276325 428689341 /nfs/dbraw/zinc/68/93/41/428689341.db2.gz YKQRBUUPWGXMMJ-UHFFFAOYSA-N 2 0 318.396 2.600 20 0 DFADRP CC[N@@H+]1CC[C@H](N(C)Cc2ccc(C(=O)OC)cc2)C[C@@H]1C ZINC000353749791 428691814 /nfs/dbraw/zinc/69/18/14/428691814.db2.gz MLQRGCZECRRLGM-YOEHRIQHSA-N 2 0 304.434 2.778 20 0 DFADRP CC1(C)CC(NC(=O)C2C[NH+](C3CCCCC3)C2)CC(C)(C)[NH2+]1 ZINC000411213091 428759503 /nfs/dbraw/zinc/75/95/03/428759503.db2.gz LYLYEVHEQRPJAF-UHFFFAOYSA-N 2 0 321.509 2.676 20 0 DFADRP C[NH+](C)C(C)(C)CNC(=O)c1cccc(C[NH+]2CCCCC2)c1 ZINC000411255997 428766335 /nfs/dbraw/zinc/76/63/35/428766335.db2.gz HNRHXEOWYOXIGS-UHFFFAOYSA-N 2 0 317.477 2.743 20 0 DFADRP C[C@@H]1C[N@H+](C)CCN1Cc1cccc(C[NH+]2CCCCC2)c1 ZINC000411258746 428767601 /nfs/dbraw/zinc/76/76/01/428767601.db2.gz MGHITEHKYCIKTE-QGZVFWFLSA-N 2 0 301.478 2.808 20 0 DFADRP CCCNC(=O)CCC[N@@H+]1CCC[C@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000411286892 428773749 /nfs/dbraw/zinc/77/37/49/428773749.db2.gz YGRKLJARFDILJZ-ROUUACIJSA-N 2 0 323.525 2.879 20 0 DFADRP COC(=O)c1cc(CN2CC[C@H](C[NH+]3CCCCC3)C2)cs1 ZINC000411314836 428775178 /nfs/dbraw/zinc/77/51/78/428775178.db2.gz RTZNPFRDORRSIB-CQSZACIVSA-N 2 0 322.474 2.843 20 0 DFADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CCc2cccc(C)n2)[C@H](C)C1 ZINC000359018770 428775222 /nfs/dbraw/zinc/77/52/22/428775222.db2.gz YZPOWTDHMRXMJV-VQIMIIECSA-N 2 0 319.493 2.659 20 0 DFADRP CCOC(=O)C1(C)CCC([NH2+]CCN2CCCC[C@H]2C)CC1 ZINC000353925764 428779392 /nfs/dbraw/zinc/77/93/92/428779392.db2.gz FSBWWWXTOOGRCC-KLHKWILBSA-N 2 0 310.482 2.962 20 0 DFADRP CC(C)SCC[NH+]1CCC(N2CC[NH+](C(C)C)CC2)CC1 ZINC000374907234 428780752 /nfs/dbraw/zinc/78/07/52/428780752.db2.gz DEIKXKWRLCAPOD-UHFFFAOYSA-N 2 0 313.555 2.618 20 0 DFADRP C[NH+](C)CCOc1cc(C[NH2+][C@H]2CC[C@@H]2C(C)(C)C)ccn1 ZINC000348423502 428740700 /nfs/dbraw/zinc/74/07/00/428740700.db2.gz VGGNSEQBQOHDNH-HOTGVXAUSA-N 2 0 305.466 2.936 20 0 DFADRP CC[C@H](C(=O)N1CCC[C@H]([NH+]2CCCC2)CC1)[NH+](CC)CC ZINC000348418469 428741479 /nfs/dbraw/zinc/74/14/79/428741479.db2.gz VCUSTHGKPWPUAR-DLBZAZTESA-N 2 0 309.498 2.584 20 0 DFADRP CN(CC[N@H+](C)[C@@H]1C[C@H]1c1cccc(F)c1)C1CC[NH+](C)CC1 ZINC000411407315 428792182 /nfs/dbraw/zinc/79/21/82/428792182.db2.gz IPNTUYGNGOTQKC-RBUKOAKNSA-N 2 0 319.468 2.639 20 0 DFADRP C[C@H]1CN(CC[NH+]2CCCCC2)CC[N@@H+]1Cc1ccccc1 ZINC000411118082 428743729 /nfs/dbraw/zinc/74/37/29/428743729.db2.gz NBTDVJFAAVFIPJ-SFHVURJKSA-N 2 0 301.478 2.679 20 0 DFADRP OC[C@H]1CCC[N@H+](Cc2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC000411145615 428744452 /nfs/dbraw/zinc/74/44/52/428744452.db2.gz CMCYOVKBBQPKRW-IBGZPJMESA-N 2 0 302.462 2.877 20 0 DFADRP C[C@H]([NH2+][C@@H](CO)CC(F)F)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000348443526 428745765 /nfs/dbraw/zinc/74/57/65/428745765.db2.gz XNUXENYAVZGKSU-NUEKZKHPSA-N 2 0 312.404 2.503 20 0 DFADRP CC[C@@H]1C[NH+](CC[C@@H](C)CC[N@@H+]2CCO[C@@H](CC)C2)CCO1 ZINC000411162155 428750692 /nfs/dbraw/zinc/75/06/92/428750692.db2.gz GKKWYWYECUNNTF-NNZMDNLPSA-N 2 0 312.498 2.624 20 0 DFADRP CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@H](CC)[NH+](CC)CC ZINC000345198836 428796987 /nfs/dbraw/zinc/79/69/87/428796987.db2.gz BGEHPKYAUZARKO-SJORKVTESA-N 2 0 311.514 2.878 20 0 DFADRP C[C@@H]1CC[N@H+](Cc2cccc(C[NH+]3CCCCC3)c2)C[C@@H]1O ZINC000411438917 428798051 /nfs/dbraw/zinc/79/80/51/428798051.db2.gz CYNYWVRFNRZODA-APWZRJJASA-N 2 0 302.462 2.875 20 0 DFADRP O[C@@H]1CC[C@H]2C[N@H+](Cc3cccc(C[NH+]4CCCCC4)c3)C[C@H]12 ZINC000411499585 428805626 /nfs/dbraw/zinc/80/56/26/428805626.db2.gz DERRIAIANLXDQK-SLFFLAALSA-N 2 0 314.473 2.875 20 0 DFADRP CCCNC(=O)CCC[NH2+][C@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000411518628 428810644 /nfs/dbraw/zinc/81/06/44/428810644.db2.gz PVVSJTFJHNAMLV-CVEARBPZSA-N 2 0 309.498 2.535 20 0 DFADRP CC[NH+]1CCC(NC(=O)C[NH2+][C@H](C)[C@H](C)C2CCCCC2)CC1 ZINC000411516167 428811065 /nfs/dbraw/zinc/81/10/65/428811065.db2.gz JHNOQWDSPVOFFM-JKSUJKDBSA-N 2 0 323.525 2.781 20 0 DFADRP C[C@H]([NH2+]CCC(=O)OC(C)(C)C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000411515677 428811902 /nfs/dbraw/zinc/81/19/02/428811902.db2.gz IGFCAYXGLBPHAQ-GJZGRUSLSA-N 2 0 310.482 2.961 20 0 DFADRP CCO[C@@H](CC[NH+](C)C)C[NH2+]Cc1cc2ccc(F)cc2[nH]1 ZINC000362932665 428813502 /nfs/dbraw/zinc/81/35/02/428813502.db2.gz YDYYYTGQMJVOSW-INIZCTEOSA-N 2 0 307.413 2.753 20 0 DFADRP CCCC[N@@H+]1CCCC[C@H]1CNC(=O)C[NH+]1[C@H](C)CC[C@@H]1C ZINC000345251381 428816448 /nfs/dbraw/zinc/81/64/48/428816448.db2.gz QCGMRXPXLHLTJQ-BBWFWOEESA-N 2 0 309.498 2.630 20 0 DFADRP C[C@@H]1C[N@H+](Cc2ccc(C[NH+]3CCCCC3)cc2)CC[C@@H]1O ZINC000411568504 428818389 /nfs/dbraw/zinc/81/83/89/428818389.db2.gz LBKIJANSAYASSG-APWZRJJASA-N 2 0 302.462 2.875 20 0 DFADRP O[C@H]1CCC[C@@H]1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000345259369 428818820 /nfs/dbraw/zinc/81/88/20/428818820.db2.gz SXMZPGOSPFRUNI-NWJVMNJYSA-N 2 0 314.473 2.933 20 0 DFADRP Cc1ccccc1C[NH+]1CCN(C2CC[NH+](C(C)C)CC2)CC1 ZINC000354025559 428827017 /nfs/dbraw/zinc/82/70/17/428827017.db2.gz FYUZWJRZXHEVRB-UHFFFAOYSA-N 2 0 315.505 2.985 20 0 DFADRP CO[C@H]1C[NH+](Cc2ccc(C[NH+]3CCCCC3)cc2)C[C@@H]1OC ZINC000411628619 428827501 /nfs/dbraw/zinc/82/75/01/428827501.db2.gz WMBRIJLQKMKZQU-OALUTQOASA-N 2 0 318.461 2.518 20 0 DFADRP COc1ccc2c(c1)OCCC[C@H]2[NH2+]CC1CC[NH+](C)CC1 ZINC000375237492 428829747 /nfs/dbraw/zinc/82/97/47/428829747.db2.gz OEYOAHVKWRMUGQ-QGZVFWFLSA-N 2 0 304.434 2.840 20 0 DFADRP CC(C)c1nccn1CCC(=O)NCC[NH+]1[C@H](C)CCC[C@H]1C ZINC000345500169 428910634 /nfs/dbraw/zinc/91/06/34/428910634.db2.gz CYYAFWAZVPNJCJ-HZPDHXFCSA-N 2 0 320.481 2.776 20 0 DFADRP CC(C)(C)c1ncc(CN2CC[C@@H](C[NH+]3CCCC3)C2)cn1 ZINC000375322549 428855029 /nfs/dbraw/zinc/85/50/29/428855029.db2.gz UDFCNBOVTLWZBJ-HNNXBMFYSA-N 2 0 302.466 2.692 20 0 DFADRP c1cc2c(cc1[C@@H]1CCC[N@H+]1CCC1CC[NH2+]CC1)OCCO2 ZINC000359213036 428866868 /nfs/dbraw/zinc/86/68/68/428866868.db2.gz OIPCYMJLXRSEIY-KRWDZBQOSA-N 2 0 316.445 2.984 20 0 DFADRP CC[NH+](CC)C[C@H]1CCN(Cc2c(C)cc(OC)nc2C)C1 ZINC000359222712 428872543 /nfs/dbraw/zinc/87/25/43/428872543.db2.gz IHFABYPYWPMDJF-MRXNPFEDSA-N 2 0 305.466 2.871 20 0 DFADRP CCOC(=O)C1(C)CCC([NH2+]C[C@@H](C)C[NH+]2CCCC2)CC1 ZINC000354126781 428874721 /nfs/dbraw/zinc/87/47/21/428874721.db2.gz YNXFKRXXJTXAJH-KLHKWILBSA-N 2 0 310.482 2.820 20 0 DFADRP CCOC[C@@H]1CCC[C@H]1[NH2+]CCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000354135689 428880772 /nfs/dbraw/zinc/88/07/72/428880772.db2.gz ZNOKUIIFDQLUJC-XWTMOSNGSA-N 2 0 312.498 2.671 20 0 DFADRP CCn1cncc1C[N@@H+]1CCC[C@@H](c2ncc3n2CCCC3)C1 ZINC000418133846 428885188 /nfs/dbraw/zinc/88/51/88/428885188.db2.gz GLZGROBVIAXNGC-OAHLLOKOSA-N 2 0 313.449 2.815 20 0 DFADRP COc1cc(C)c(C[NH+]2CCC(CC[NH+](C)C)CC2)c(C)n1 ZINC000359245463 428887095 /nfs/dbraw/zinc/88/70/95/428887095.db2.gz ZLXSIZCBWOORQR-UHFFFAOYSA-N 2 0 305.466 2.871 20 0 DFADRP CCCC[NH+]1CCC([NH2+][C@@H]2CC[C@@H](CC(=O)OC)[C@@H]2C)CC1 ZINC000354157760 428892356 /nfs/dbraw/zinc/89/23/56/428892356.db2.gz KMFYGAVVHRORTJ-YQQAZPJKSA-N 2 0 310.482 2.818 20 0 DFADRP C[N@@H+]1CCC[C@H](C[NH2+][C@H]2CCCC[C@@H]2O)[C@H]1c1ccccc1 ZINC000375482217 428897876 /nfs/dbraw/zinc/89/78/76/428897876.db2.gz MXSLVEJEOQJMOF-YDZRNGNQSA-N 2 0 302.462 2.963 20 0 DFADRP COCCCC[NH2+][C@H]1CCN(Cc2cnc(C)s2)C[C@@H]1C ZINC000375513616 428902959 /nfs/dbraw/zinc/90/29/59/428902959.db2.gz LSELKWQVCKRDQI-BBRMVZONSA-N 2 0 311.495 2.678 20 0 DFADRP Cc1ncc(CN2CC[C@@H]([NH2+]CCOC(C)C)[C@H](C)C2)s1 ZINC000375512791 428903942 /nfs/dbraw/zinc/90/39/42/428903942.db2.gz SPULIGFAAJURKO-CZUORRHYSA-N 2 0 311.495 2.677 20 0 DFADRP CN(CC[N@H+](C)C[C@H]1C[C@@H]1c1ccccc1)C1CC[NH+](C)CC1 ZINC000349034679 428904543 /nfs/dbraw/zinc/90/45/43/428904543.db2.gz FCOHKGKIJWVMFQ-UYAOXDASSA-N 2 0 315.505 2.748 20 0 DFADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)Cc1sc(C)nc1C ZINC000349035659 428904936 /nfs/dbraw/zinc/90/49/36/428904936.db2.gz LAHBTLMLJYHXNE-INIZCTEOSA-N 2 0 324.538 2.608 20 0 DFADRP CCN(CCC[NH+]1CCCC1)C(=O)NCC1([NH3+])CCCCCC1 ZINC000418286232 428912297 /nfs/dbraw/zinc/91/22/97/428912297.db2.gz QRYDOCGBHZGJLI-UHFFFAOYSA-N 2 0 324.513 2.556 20 0 DFADRP C[NH+](C)CCOCC[NH2+][C@H]1C[C@@H](OCc2ccccc2)C1(C)C ZINC000354203691 428913405 /nfs/dbraw/zinc/91/34/05/428913405.db2.gz JCMWPSIYVDBNDG-ZWKOTPCHSA-N 2 0 320.477 2.538 20 0 DFADRP CN(CC[N@H+](C)C/C=C\c1ccc(F)cc1)C1CC[NH+](C)CC1 ZINC000349081752 428916653 /nfs/dbraw/zinc/91/66/53/428916653.db2.gz VTWIROAUKPUADF-PLNGDYQASA-N 2 0 319.468 2.797 20 0 DFADRP C[C@@H](CCO)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000354209494 428917855 /nfs/dbraw/zinc/91/78/55/428917855.db2.gz AMLOFAQGUZGXGR-UXDRXVOSSA-N 2 0 302.462 2.790 20 0 DFADRP CC(C)OC[C@H](C)[NH2+]C[C@H]1CCCN(Cc2cccnc2)C1 ZINC000375590872 428918080 /nfs/dbraw/zinc/91/80/80/428918080.db2.gz JXCJGGWHYSKNNH-FUHWJXTLSA-N 2 0 305.466 2.697 20 0 DFADRP COc1ccc([C@@H](O)[C@@H]2CCC[N@@H+]2CCC[NH+]2CCCC2)cc1 ZINC000363458699 428919803 /nfs/dbraw/zinc/91/98/03/428919803.db2.gz ACZWXJRZPHURQK-RBUKOAKNSA-N 2 0 318.461 2.679 20 0 DFADRP CC[N@@H+]1CC[C@@H]([NH+](C)CCC(=O)Nc2ccc(F)cc2)C[C@@H]1C ZINC000354222009 428924350 /nfs/dbraw/zinc/92/43/50/428924350.db2.gz IGHKKKFCAOQOOX-WMLDXEAASA-N 2 0 321.440 2.959 20 0 DFADRP Cc1ccn2c(C[N@H+]3CC[C@@H](C4CC[NH+](C)CC4)C3)cnc2c1 ZINC000349183358 428934256 /nfs/dbraw/zinc/93/42/56/428934256.db2.gz GNXNEFZMAXVRSY-QGZVFWFLSA-N 2 0 312.461 2.806 20 0 DFADRP CC1(C)[C@@H]([NH2+]C[C@H]2CC[N@H+](Cc3ccccc3)C2)[C@@H]2CCO[C@@H]21 ZINC000375661061 428936389 /nfs/dbraw/zinc/93/63/89/428936389.db2.gz BBKUNBMCHOLJCA-XWSJACJDSA-N 2 0 314.473 2.912 20 0 DFADRP Cc1ccc(CCC[NH+]2CCN(c3ccc(F)cn3)CC2)cn1 ZINC000349365643 428971755 /nfs/dbraw/zinc/97/17/55/428971755.db2.gz IOVOUTXCSHFPFW-UHFFFAOYSA-N 2 0 314.408 2.679 20 0 DFADRP Cc1cc(N2CCCN(CC[NH+](C)C)CC2)c2ccccc2[nH+]1 ZINC000363535746 428937974 /nfs/dbraw/zinc/93/79/74/428937974.db2.gz KDJODFVNROGKLS-UHFFFAOYSA-N 2 0 312.461 2.617 20 0 DFADRP CCC[C@H]([NH2+]C(C)C)C(=O)N[C@@H]1CC[N@H+](CC2CCCC2)C1 ZINC000354251050 428939399 /nfs/dbraw/zinc/93/93/99/428939399.db2.gz BTYHMKOHNSWNEA-SJORKVTESA-N 2 0 309.498 2.534 20 0 DFADRP COC(=O)CCC[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)C1 ZINC000423563261 428971822 /nfs/dbraw/zinc/97/18/22/428971822.db2.gz XBFYPIHJYZHBEQ-IECFSIQFSA-N 2 0 322.493 2.866 20 0 DFADRP Cc1ccc(C)c([C@@H](C)[NH2+][C@H](C)CCN2CC[NH+](C)CC2)c1 ZINC000349314717 428960741 /nfs/dbraw/zinc/96/07/41/428960741.db2.gz RTEBCBIQHLKDPW-QZTJIDSGSA-N 2 0 303.494 2.980 20 0 DFADRP C[C@@H](CCN1CC[NH+](C)CC1)[NH2+][C@@H](C)c1cc2c(s1)CCC2 ZINC000349344353 428967277 /nfs/dbraw/zinc/96/72/77/428967277.db2.gz SHISTPXAPCNWGH-GJZGRUSLSA-N 2 0 321.534 2.913 20 0 DFADRP Cc1cccc(NC[C@@H]2CCC[N@@H+]2Cc2ccc(CO)cc2)n1 ZINC000375774831 428968913 /nfs/dbraw/zinc/96/89/13/428968913.db2.gz CGYTVXSWUDKWLX-SFHVURJKSA-N 2 0 311.429 2.959 20 0 DFADRP CN1CC[C@H]([NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)C[C@@H]1c1ccccc1 ZINC000423541634 428969008 /nfs/dbraw/zinc/96/90/08/428969008.db2.gz FRONWDPSSIJYCW-UJMXGEILSA-N 2 0 313.489 2.800 20 0 DFADRP c1ccc([C@H]([NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)c2cncnc2)cc1 ZINC000423541403 428969696 /nfs/dbraw/zinc/96/96/96/428969696.db2.gz KUJPWXZSJDNPAK-RWQQGDIJSA-N 2 0 308.429 2.544 20 0 DFADRP COC(=O)C[C@@H]1CC[C@H]([NH2+]C[C@H]2CCC[N@@H+](C(C)C)C2)[C@H]1C ZINC000354327359 428970105 /nfs/dbraw/zinc/97/01/05/428970105.db2.gz GUTGRZGKNMFCRG-YVSFHVDLSA-N 2 0 310.482 2.674 20 0 DFADRP C[N@@H+]1CCC[C@@H]1CC[NH2+]C1(Cc2ccccc2)CCOCC1 ZINC000451934742 429020577 /nfs/dbraw/zinc/02/05/77/429020577.db2.gz DQNSIPKOZTYCOK-GOSISDBHSA-N 2 0 302.462 2.852 20 0 DFADRP C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC000433359692 429028318 /nfs/dbraw/zinc/02/83/18/429028318.db2.gz CWFAXQRUFSYDMT-KBAYOESNSA-N 2 0 321.509 2.773 20 0 DFADRP CC[NH+](CC)[C@H]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC000433376661 429030251 /nfs/dbraw/zinc/03/02/51/429030251.db2.gz JXSRCANCDIHOFD-ROUUACIJSA-N 2 0 321.509 2.726 20 0 DFADRP CC(C)C[C@@H]1CCC[C@H]([NH2+]CCCN2CCC[C@H]2C(N)=O)C1 ZINC000354333718 428973021 /nfs/dbraw/zinc/97/30/21/428973021.db2.gz JMGRISWERQNPJZ-ULQDDVLXSA-N 2 0 309.498 2.521 20 0 DFADRP Cc1cccc2c1CC[C@H]2[NH2+][C@H](C)CCN1CC[NH+](C)CC1 ZINC000349384249 428978415 /nfs/dbraw/zinc/97/84/15/428978415.db2.gz WFVAPLPQNCRHFI-VQIMIIECSA-N 2 0 301.478 2.598 20 0 DFADRP CC(C)[C@H]1C[C@@H]([NH2+]CCC[N@@H+]2CCCO[C@H](C)C2)CS1 ZINC000433025211 428981307 /nfs/dbraw/zinc/98/13/07/428981307.db2.gz IXJIQIYCNQHHCQ-BZUAXINKSA-N 2 0 300.512 2.607 20 0 DFADRP C[NH+]1CCC(N2CC[C@@H]([NH2+][C@H]3[C@@H]4CCCC[C@@H]4C3(C)C)C2)CC1 ZINC000363749433 428982029 /nfs/dbraw/zinc/98/20/29/428982029.db2.gz KYLBOIBQJILXNE-YSHGAJCASA-N 2 0 319.537 2.959 20 0 DFADRP CCN(CCC[NH+]1CCCC1)Cc1cc2c(c(OC)c1)OCO2 ZINC000349402946 428982733 /nfs/dbraw/zinc/98/27/33/428982733.db2.gz ANROCXNXCKJZIT-UHFFFAOYSA-N 2 0 320.433 2.732 20 0 DFADRP CC(C)[C@@H](C(=O)Nc1cc(C[NH3+])cc(C(F)(F)F)c1)[C@H](C)[NH3+] ZINC000423624029 428985529 /nfs/dbraw/zinc/98/55/29/428985529.db2.gz PESXJAVSJBXRJU-TVQRCGJNSA-N 2 0 317.355 2.722 20 0 DFADRP CC[C@H](C(=O)NC[C@@H]1CCC[C@H]([NH3+])C1)[N@H+](C)Cc1ccccc1 ZINC000423673713 428992233 /nfs/dbraw/zinc/99/22/33/428992233.db2.gz AFZBMKXEGICFSL-FGTMMUONSA-N 2 0 317.477 2.531 20 0 DFADRP COC(=O)c1csc([C@H](C)[NH2+]C[C@@H]2CCCn3ccnc32)c1 ZINC000375841371 428992556 /nfs/dbraw/zinc/99/25/56/428992556.db2.gz RQNOOCJTELOXSY-RYUDHWBXSA-N 2 0 319.430 2.959 20 0 DFADRP COc1ccccc1[C@@H](C)[NH2+][C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000363786158 428995534 /nfs/dbraw/zinc/99/55/34/428995534.db2.gz QCDYODPOEUAOBW-HZPDHXFCSA-N 2 0 317.477 2.514 20 0 DFADRP C[C@@H]1CCC[C@H](CCNC(=O)CCC[NH+]2CCC([NH3+])CC2)C1 ZINC000433133580 428998760 /nfs/dbraw/zinc/99/87/60/428998760.db2.gz ZFZBVTFSGIUXPN-HZPDHXFCSA-N 2 0 309.498 2.522 20 0 DFADRP CC(C)CN(C(=O)CCC[NH+]1CCC([NH3+])CC1)C1CCCC1 ZINC000433139833 428999176 /nfs/dbraw/zinc/99/91/76/428999176.db2.gz YWPZAPQKFGDJQD-UHFFFAOYSA-N 2 0 309.498 2.617 20 0 DFADRP CC[C@H](C)[C@H](C)N(C(=O)CCC[NH+]1CCC([NH3+])CC1)C1CC1 ZINC000433136936 428999708 /nfs/dbraw/zinc/99/97/08/428999708.db2.gz RIDVTBYUCXOFSI-GJZGRUSLSA-N 2 0 309.498 2.615 20 0 DFADRP CCCN(Cc1ccccc1)C(=O)CCC[NH+]1CCC([NH3+])CC1 ZINC000433176496 429003893 /nfs/dbraw/zinc/00/38/93/429003893.db2.gz SAZXFUCXLWKFFY-UHFFFAOYSA-N 2 0 317.477 2.629 20 0 DFADRP C[C@@H]1CC[C@H](C)[N@H+]1[C@H]1CCCN(C(=O)C[C@H]2CCC[NH2+]CC2)C1 ZINC000423724603 429005120 /nfs/dbraw/zinc/00/51/20/429005120.db2.gz HBPZGBHROYGWHL-MHORFTMASA-N 2 0 321.509 2.630 20 0 DFADRP O=C(N[C@@H]1CC[N@@H+]2CCCC[C@@H]12)[C@H]1CCCC[NH+]1C1CCCC1 ZINC000433231945 429013160 /nfs/dbraw/zinc/01/31/60/429013160.db2.gz ZJSOEZXPMWTYQU-FGTMMUONSA-N 2 0 319.493 2.527 20 0 DFADRP CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)[C@@H]([NH3+])CC1CCCCC1 ZINC000423453231 429090746 /nfs/dbraw/zinc/09/07/46/429090746.db2.gz ZXQGOIOHRXUNOD-IRXDYDNUSA-N 2 0 309.498 2.617 20 0 DFADRP COc1ccc([C@H](C)[NH2+]C[C@@H]2CCC[C@H]([NH3+])C2)cc1NC(C)=O ZINC000423454666 429091001 /nfs/dbraw/zinc/09/10/01/429091001.db2.gz CZUDWZONMSHPOQ-BJJXKVORSA-N 2 0 319.449 2.822 20 0 DFADRP COCCOc1ccc([C@H](C)[NH2+]C[C@@H]2CCC[C@@H]([NH3+])C2)cc1 ZINC000423462363 429091053 /nfs/dbraw/zinc/09/10/53/429091053.db2.gz OYZWXUNTFFPCOA-ZMSDIMECSA-N 2 0 306.450 2.880 20 0 DFADRP CCCCOCC[N@@H+]1CC[C@@H](CN(C)Cc2cccnc2)C1 ZINC000434497148 429091255 /nfs/dbraw/zinc/09/12/55/429091255.db2.gz CGSMARMZUMLJLX-SFHVURJKSA-N 2 0 305.466 2.652 20 0 DFADRP C[C@@H]([NH2+]C[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1)[C@@H]1CCCO1 ZINC000423476129 429095080 /nfs/dbraw/zinc/09/50/80/429095080.db2.gz QPYIJQZVOCOVAR-SIUPPRGNSA-N 2 0 306.425 2.676 20 0 DFADRP [NH3+][C@H](CCC(=O)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1)CC1CCCCC1 ZINC000424131288 429095660 /nfs/dbraw/zinc/09/56/60/429095660.db2.gz JBSGORHNLDKCCU-KURKYZTESA-N 2 0 321.509 2.807 20 0 DFADRP C[C@@H](NC[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1)[C@@H]1CCCC[NH2+]1 ZINC000423483737 429095761 /nfs/dbraw/zinc/09/57/61/429095761.db2.gz ZBXMJHURYIAIFH-HYEGPXJVSA-N 3 0 319.468 2.639 20 0 DFADRP CCO[C@@H]1C[C@H]([NH2+]CCC[C@H]2CCC[NH2+]2)[C@H]1Oc1ccccc1 ZINC000423482631 429095842 /nfs/dbraw/zinc/09/58/42/429095842.db2.gz PKZFFEKRRHHOJF-QXCFHYIPSA-N 2 0 318.461 2.733 20 0 DFADRP C[C@@H]([NH2+]CCCC[N@@H+]1CCC[C@H]1CO)c1ccncc1Cl ZINC000421838282 429038117 /nfs/dbraw/zinc/03/81/17/429038117.db2.gz VFFKWOBFSXLQLX-KGLIPLIRSA-N 2 0 311.857 2.623 20 0 DFADRP C[C@@H]([NH2+]CCCC[N@@H+]1CCC[C@@H]1CO)c1ccncc1Cl ZINC000421838284 429038221 /nfs/dbraw/zinc/03/82/21/429038221.db2.gz VFFKWOBFSXLQLX-ZIAGYGMSSA-N 2 0 311.857 2.623 20 0 DFADRP COC1([C@H](C)[NH2+]CCCC[NH+]2C[C@@H](C)O[C@H](C)C2)CCCC1 ZINC000421844936 429038893 /nfs/dbraw/zinc/03/88/93/429038893.db2.gz PCIKPIGVBQKPGS-ZACQAIPSSA-N 2 0 312.498 2.813 20 0 DFADRP CCCC[N@H+](C)CC1CCN(C(=O)C[C@H]2CCC[NH2+]CC2)CC1 ZINC000376335602 429096477 /nfs/dbraw/zinc/09/64/77/429096477.db2.gz KOPBPPWJCSQYFW-KRWDZBQOSA-N 2 0 323.525 2.737 20 0 DFADRP CN1CCNC[C@@H]1C[NH2+][C@H]1CCC[C@H](c2cccc(Cl)c2)C1 ZINC000423484731 429096452 /nfs/dbraw/zinc/09/64/52/429096452.db2.gz AIUJTWAVXSFULZ-RYQLBKOJSA-N 2 0 321.896 2.859 20 0 DFADRP Cc1cccc(C)c1[C@@H](C)NC(=O)CCC[NH+]1CCC([NH3+])CC1 ZINC000423886513 429049149 /nfs/dbraw/zinc/04/91/49/429049149.db2.gz SCARFKSEYMSCBO-MRXNPFEDSA-N 2 0 317.477 2.684 20 0 DFADRP CC(C)(CN1CCCC1)[NH2+]C[C@H](O)Cc1cccc(Cl)c1 ZINC000452096558 429056126 /nfs/dbraw/zinc/05/61/26/429056126.db2.gz OELJMCSBVIXSOY-MRXNPFEDSA-N 2 0 310.869 2.707 20 0 DFADRP COc1ccc([C@H](C)[NH2+][C@@H]2CCCC[C@H]2C[NH3+])cc1NC(C)=O ZINC000423277535 429056330 /nfs/dbraw/zinc/05/63/30/429056330.db2.gz OJVWDKZIBYGVQG-VBNZEHGJSA-N 2 0 319.449 2.822 20 0 DFADRP CC(C)([NH3+])CN[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H]2CCC[C@H]21 ZINC000423287398 429058436 /nfs/dbraw/zinc/05/84/36/429058436.db2.gz MAJPPCWJQPCARF-RCCFBDPRSA-N 2 0 301.478 2.757 20 0 DFADRP C[C@H](C[NH3+])CN[C@@H]1CC[N@H+](Cc2ccccc2)[C@H]2CCC[C@H]21 ZINC000423310604 429060799 /nfs/dbraw/zinc/06/07/99/429060799.db2.gz SBVHDTIWHZXPRN-LULLPPNCSA-N 3 0 301.478 2.614 20 0 DFADRP CC(C)[C@H](C(=O)NCc1ccc(C[NH+]2CCCC2)cc1)[C@@H](C)[NH3+] ZINC000423309936 429061241 /nfs/dbraw/zinc/06/12/41/429061241.db2.gz MRGBPAZCCXGPGC-QAPCUYQASA-N 2 0 317.477 2.518 20 0 DFADRP C[C@@H]([NH2+]C[C@@]1(C)CCC[NH2+]C1)c1cccc(N2CCOCC2)c1 ZINC000423320013 429061823 /nfs/dbraw/zinc/06/18/23/429061823.db2.gz DXWGLESLCBITJG-APWZRJJASA-N 2 0 317.477 2.564 20 0 DFADRP C[C@H]([NH3+])c1ccc(C(=O)NCCC[NH+]2CCCCCC2)cc1 ZINC000423316138 429062364 /nfs/dbraw/zinc/06/23/64/429062364.db2.gz ZOYQDQOQEBKCCL-HNNXBMFYSA-N 2 0 303.450 2.702 20 0 DFADRP [NH3+]CCCC[NH2+][C@@H]1CCc2c1cc(Br)cc2F ZINC000423322258 429063514 /nfs/dbraw/zinc/06/35/14/429063514.db2.gz GIHVZYVDWRYLQH-CYBMUJFWSA-N 2 0 301.203 2.904 20 0 DFADRP C[C@@H]([NH2+]CC1(C)CC[NH2+]CC1)c1ccc2c(c1)OCCCO2 ZINC000423327676 429065141 /nfs/dbraw/zinc/06/51/41/429065141.db2.gz LOQFXYULZTZRGK-CQSZACIVSA-N 2 0 304.434 2.888 20 0 DFADRP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC1(C)CC[NH2+]CC1 ZINC000423323551 429065304 /nfs/dbraw/zinc/06/53/04/429065304.db2.gz ICFOXDROZKKVKV-PKOBYXMFSA-N 3 0 315.505 2.876 20 0 DFADRP [NH3+]CCCC[NH2+][C@@H]1CCc2c1c(Br)ccc2F ZINC000423324003 429066122 /nfs/dbraw/zinc/06/61/22/429066122.db2.gz JVVAGFHQADIANM-GFCCVEGCSA-N 2 0 301.203 2.904 20 0 DFADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC[C@@]1(C)CCC[NH2+]C1 ZINC000423338713 429068181 /nfs/dbraw/zinc/06/81/81/429068181.db2.gz UUVLQRLHCXSKPM-RLLQIKCJSA-N 2 0 315.505 2.876 20 0 DFADRP C[C@H](C[NH3+])N[C@@H]1CCCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000423331993 429068824 /nfs/dbraw/zinc/06/88/24/429068824.db2.gz QPVIQIMSMBVGLR-QXCFHYIPSA-N 2 0 301.478 2.614 20 0 DFADRP COc1cc(C)c(C[C@H](C)[NH2+][C@H]2CC[NH2+][C@@H](C)C2)cc1OC ZINC000423367950 429073447 /nfs/dbraw/zinc/07/34/47/429073447.db2.gz AWMRPFBOTDVXQO-DZKIICNBSA-N 2 0 306.450 2.673 20 0 DFADRP CC[C@H]([NH2+]C[C@@H](N1CC[NH2+]CC1)C(F)(F)F)C1CCCCC1 ZINC000423381030 429076232 /nfs/dbraw/zinc/07/62/32/429076232.db2.gz HOWUUSVRVYFWNG-LSDHHAIUSA-N 2 0 321.431 2.771 20 0 DFADRP COc1ccc(C[C@H](C)[NH2+][C@@H]2CC[NH2+][C@H](C)C2)c(C)c1OC ZINC000423374121 429076332 /nfs/dbraw/zinc/07/63/32/429076332.db2.gz HUHFQYBSPQATMD-DVOMOZLQSA-N 2 0 306.450 2.673 20 0 DFADRP C[C@@H](Cc1ccccc1)[NH+]1CCC(N[C@@H]2CC[NH2+][C@H](C)C2)CC1 ZINC000423381141 429076392 /nfs/dbraw/zinc/07/63/92/429076392.db2.gz NLQGCFRGEJWOAW-FUHIMQAGSA-N 2 0 315.505 2.812 20 0 DFADRP CC[NH2+][C@H](C)CN[C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000423383296 429076547 /nfs/dbraw/zinc/07/65/47/429076547.db2.gz OZBGHTQZHNEJNQ-VBSBHUPXSA-N 2 0 315.505 2.875 20 0 DFADRP C[C@H](Cc1ccccc1)[NH+]1CCC(N[C@H]2CCC[NH2+][C@H]2C)CC1 ZINC000423373791 429077344 /nfs/dbraw/zinc/07/73/44/429077344.db2.gz JNTHNQVMZMYAOR-UWVAXJGDSA-N 2 0 315.505 2.812 20 0 DFADRP CN(C[C@H]1CCC[N@H+](C)C1)C(=O)CC[C@@H]([NH3+])CC1CCCCC1 ZINC000424140713 429097931 /nfs/dbraw/zinc/09/79/31/429097931.db2.gz WOOCOIGAWYIBFM-ZWKOTPCHSA-N 2 0 323.525 2.865 20 0 DFADRP CC[N@H+](Cc1ccc(C(=O)N(C)CCC[NH2+]C)cc1)C(C)C ZINC000424019475 429078756 /nfs/dbraw/zinc/07/87/56/429078756.db2.gz LWDDDNWGTIUBKJ-UHFFFAOYSA-N 2 0 305.466 2.598 20 0 DFADRP CCC[C@@H](C)C(=O)NCC1([NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000424023297 429078894 /nfs/dbraw/zinc/07/88/94/429078894.db2.gz AXHRRJSZHRLBQD-MRXNPFEDSA-N 2 0 317.477 2.532 20 0 DFADRP CCC[N@H+](CC)Cc1ccc(C(=O)N(C)CCC[NH2+]C)cc1 ZINC000424019812 429078987 /nfs/dbraw/zinc/07/89/87/429078987.db2.gz MUPNCWRMKUXKJH-UHFFFAOYSA-N 2 0 305.466 2.600 20 0 DFADRP CC(C)[C@H]([NH2+]C[C@@H]1C[NH2+]C[C@@H]1O)c1ccc(C(F)(F)F)cc1 ZINC000423395795 429079979 /nfs/dbraw/zinc/07/99/79/429079979.db2.gz AVFPLFKUGVJRJW-QEJZJMRPSA-N 2 0 316.367 2.572 20 0 DFADRP C[C@@H]1C[NH2+]CC[C@@H]1[NH2+][C@H]1CCCN(Cc2ccccc2)[C@@H]1C ZINC000423396339 429080329 /nfs/dbraw/zinc/08/03/29/429080329.db2.gz NRUWEMCKVNPNCH-FPAYPSAMSA-N 2 0 301.478 2.627 20 0 DFADRP O[C@@H]1C[NH2+]C[C@H]1C[NH2+][C@@H](CCCc1ccccc1)c1ccccc1 ZINC000423399693 429081179 /nfs/dbraw/zinc/08/11/79/429081179.db2.gz FEMAPXAZQHUBMT-PCCBWWKXSA-N 2 0 324.468 2.921 20 0 DFADRP Cc1c([C@H](C)[NH2+]CCC[C@@H]2CCC[NH2+]2)nnn1-c1ccccc1 ZINC000423481900 429097481 /nfs/dbraw/zinc/09/74/81/429097481.db2.gz OQYLMMGYIYYMPR-GOEBONIOSA-N 2 0 313.449 2.759 20 0 DFADRP COCC1(C[NH2+][C@@H]2CC[C@H](c3ccccc3)C2)CC[NH2+]CC1 ZINC000423411428 429082792 /nfs/dbraw/zinc/08/27/92/429082792.db2.gz UMZGJUMRLNQVOM-ZWKOTPCHSA-N 2 0 302.462 2.929 20 0 DFADRP O[C@@H]1C[NH2+]C[C@@H]1C[NH2+][C@H]1CCC[C@@H](c2ccc(Cl)cc2)C1 ZINC000423413901 429082884 /nfs/dbraw/zinc/08/28/84/429082884.db2.gz BFJWZKXRAABQHE-TXCZRRACSA-N 2 0 308.853 2.536 20 0 DFADRP C[C@H]([NH2+]C[C@H]1C[NH2+]C[C@H]1O)c1ccc(SC2CCCC2)cc1 ZINC000423412368 429083708 /nfs/dbraw/zinc/08/37/08/429083708.db2.gz WSYKFAQQXHGIAR-JCKWVBRZSA-N 2 0 320.502 2.952 20 0 DFADRP CC[C@H]1CCCC[N@@H+]1CCNC(=O)c1ccc([C@H](C)[NH3+])cc1 ZINC000423415005 429084111 /nfs/dbraw/zinc/08/41/11/429084111.db2.gz CZHKRDBRMGZBFV-YOEHRIQHSA-N 2 0 303.450 2.701 20 0 DFADRP Cc1c([C@@H](C)[NH2+][C@@H]2C[C@H]2C2CC[NH2+]CC2)cnn1C(C)(C)C ZINC000423422629 429085612 /nfs/dbraw/zinc/08/56/12/429085612.db2.gz BRVRELZGAXYOJV-ISTRZQFTSA-N 2 0 304.482 2.985 20 0 DFADRP CC(C)[C@H](C(=O)NC1CC[NH+](C2CCCCC2)CC1)[C@H](C)[NH3+] ZINC000423431977 429087170 /nfs/dbraw/zinc/08/71/70/429087170.db2.gz IZFZOVRXPKLBEZ-YOEHRIQHSA-N 2 0 309.498 2.519 20 0 DFADRP CCOC(=O)C1(C)CCC([NH2+]C[C@H]2CC[C@H](C[NH3+])CC2)CC1 ZINC000423434349 429087259 /nfs/dbraw/zinc/08/72/59/429087259.db2.gz XVRZQMZZRKGRON-PUSDAICGSA-N 2 0 310.482 2.853 20 0 DFADRP COC(=O)CCC[C@H]1CCC[C@H]([NH2+][C@@H]2C[C@H]2C2CC[NH2+]CC2)C1 ZINC000423433547 429087816 /nfs/dbraw/zinc/08/78/16/429087816.db2.gz JZVMRCJEFCJMOD-LAVFITLUSA-N 2 0 322.493 2.866 20 0 DFADRP C[C@H](CCCC[NH3+])[NH2+][C@@H](c1cnn(C)c1)c1cccc(F)c1 ZINC000423438642 429088495 /nfs/dbraw/zinc/08/84/95/429088495.db2.gz ROJYXDNFLIYZBR-CXAGYDPISA-N 2 0 304.413 2.756 20 0 DFADRP CC(C)[N@H+](C)CCC[NH2+][C@@H]1CCC[C@@H]1NC(=O)OC(C)(C)C ZINC000494695853 429145780 /nfs/dbraw/zinc/14/57/80/429145780.db2.gz YOWXLGAMUFXRSD-CABCVRRESA-N 2 0 313.486 2.752 20 0 DFADRP CCc1ccc(NC(=O)CN(CC)[C@@H]2CCC[NH2+]CC2)cc1 ZINC000435611736 429152847 /nfs/dbraw/zinc/15/28/47/429152847.db2.gz CMICQXCDEAWWBQ-QGZVFWFLSA-N 2 0 303.450 2.652 20 0 DFADRP CCc1ccc(-c2noc(CN(C)[C@H]3CCC[NH2+]CC3)n2)cc1 ZINC000435617012 429153777 /nfs/dbraw/zinc/15/37/77/429153777.db2.gz NRBYHJKSHMGKGM-INIZCTEOSA-N 2 0 314.433 2.873 20 0 DFADRP CC[N@H+](CCOCCOc1ccccc1)[C@H]1CCC[NH2+]CC1 ZINC000435627401 429155354 /nfs/dbraw/zinc/15/53/54/429155354.db2.gz NIAWMOQSCYSURK-KRWDZBQOSA-N 2 0 306.450 2.546 20 0 DFADRP CC[N@H+](CCC(=O)Nc1cccc(F)c1)[C@@H]1CCC[NH2+]CC1 ZINC000435626421 429155785 /nfs/dbraw/zinc/15/57/85/429155785.db2.gz OKERPFADDVFCRF-MRXNPFEDSA-N 2 0 307.413 2.618 20 0 DFADRP C[C@@H]([NH2+]C[C@H]1C[NH2+]CCCO1)C1(c2ccccc2)CCCC1 ZINC000423494903 429099040 /nfs/dbraw/zinc/09/90/40/429099040.db2.gz SQPTWOOPTALBOT-SJLPKXTDSA-N 2 0 302.462 2.855 20 0 DFADRP C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1CC[C@H](C[NH3+])C1 ZINC000423493441 429099182 /nfs/dbraw/zinc/09/91/82/429099182.db2.gz QBLOHOFQLUIQNG-LULLPPNCSA-N 2 0 301.478 2.614 20 0 DFADRP COc1cc(C)c([C@H](C)[N@@H+]2C[C@@H](C)[C@](C)(C[NH3+])C2)cc1OC ZINC000423504655 429100669 /nfs/dbraw/zinc/10/06/69/429100669.db2.gz GBRBWDJFGXXBCJ-QWQRMKEZSA-N 2 0 306.450 2.990 20 0 DFADRP Cc1cc([C@H](C)[NH2+]C2CCC(N3CC[NH2+]CC3)CC2)oc1C ZINC000423500352 429101446 /nfs/dbraw/zinc/10/14/46/429101446.db2.gz ABRQCJFLIHQWJD-OOHWJJMZSA-N 2 0 305.466 2.763 20 0 DFADRP C[C@@H]1CN([C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)C[C@@]1(C)C[NH3+] ZINC000423505577 429101941 /nfs/dbraw/zinc/10/19/41/429101941.db2.gz HEENHOVCFVAKTQ-IZBJGVDFSA-N 2 0 315.505 2.814 20 0 DFADRP CCc1ccccc1[C@H]([NH3+])CN[C@@H](Cc1ccccc1)[C@@H](C)[NH3+] ZINC000423515953 429106589 /nfs/dbraw/zinc/10/65/89/429106589.db2.gz XRJADEZHRVPQJV-YSGRDPCXSA-N 2 0 311.473 2.797 20 0 DFADRP COc1ccccc1[C@H](C)[NH2+]C1CCC([NH+]2CCNCC2)CC1 ZINC000423519806 429106965 /nfs/dbraw/zinc/10/69/65/429106965.db2.gz QOVQSPPGHOAWTP-GTPINHCMSA-N 2 0 317.477 2.562 20 0 DFADRP C[C@H]([NH2+]C1CCC([NH+]2CCNCC2)CC1)c1ccc(F)cc1 ZINC000423520543 429106979 /nfs/dbraw/zinc/10/69/79/429106979.db2.gz RGZJLFDPDKMVNU-NNGSBXSVSA-N 2 0 305.441 2.693 20 0 DFADRP C[N@@H+]1CCC[C@@H]1CC[NH+]1CCC(c2ncc3n2CCCC3)CC1 ZINC000434690259 429107664 /nfs/dbraw/zinc/10/76/64/429107664.db2.gz FSIZUVNZURPDCC-QGZVFWFLSA-N 2 0 316.493 2.883 20 0 DFADRP Cc1nc(C)c([C@@H](C)[NH2+]C2CCC(N3CC[NH2+]CC3)CC2)s1 ZINC000423525890 429109186 /nfs/dbraw/zinc/10/91/86/429109186.db2.gz YTAUWYXJNSVSRT-IUDNXUCKSA-N 2 0 322.522 2.627 20 0 DFADRP CC(C)[C@@H](Cn1cccn1)[NH2+]CC1([NH3+])C2CC3CC(C2)CC1C3 ZINC000423534249 429111616 /nfs/dbraw/zinc/11/16/16/429111616.db2.gz ZSUHJAKNXFYWOZ-OIAUPDTQSA-N 2 0 316.493 2.651 20 0 DFADRP Cc1cc(C[NH3+])cc(NC(=O)[C@H](C(C)C)[NH+]2CCCCC2)c1 ZINC000424252741 429115131 /nfs/dbraw/zinc/11/51/31/429115131.db2.gz ZHSSOAZVKGVCJK-KRWDZBQOSA-N 2 0 303.450 2.903 20 0 DFADRP CCC(CC)[C@H](C[NH2+]C1CC(CC(=O)OC)C1)[NH+]1CCCC1 ZINC000424266461 429116912 /nfs/dbraw/zinc/11/69/12/429116912.db2.gz LBCFMMSMIYMPAD-PREGVCBESA-N 2 0 310.482 2.818 20 0 DFADRP CCO[C@@H]1C[C@@H]([NH2+]C[C@H]2CCCCN2C2CC2)C12CCOCC2 ZINC000376470784 429117801 /nfs/dbraw/zinc/11/78/01/429117801.db2.gz HDEALJZECOOAEY-KZNAEPCWSA-N 2 0 322.493 2.567 20 0 DFADRP CCc1cccc(NC(=O)C[N@@H+]2CC3(C[C@H]2C)CC[NH2+]CC3)c1 ZINC000424283813 429119611 /nfs/dbraw/zinc/11/96/11/429119611.db2.gz CGLLYVPMJFHJJL-OAHLLOKOSA-N 2 0 315.461 2.652 20 0 DFADRP CCN(C(=O)C[N@@H+]1CC2(C[C@@H]1C)CC[NH2+]CC2)C1CCCCC1 ZINC000424285684 429120032 /nfs/dbraw/zinc/12/00/32/429120032.db2.gz GFWBAIUBFHCZNE-INIZCTEOSA-N 2 0 321.509 2.632 20 0 DFADRP C[C@@H]1CC2(C[N@@H+]1Cc1nccn1Cc1ccccc1)CC[NH2+]CC2 ZINC000424286036 429120199 /nfs/dbraw/zinc/12/01/99/429120199.db2.gz GUANJZGFYILZTD-QGZVFWFLSA-N 2 0 324.472 2.895 20 0 DFADRP COC(=O)CC1CC([NH2+]C2CC[NH+](C3CCCCC3)CC2)C1 ZINC000424292271 429120616 /nfs/dbraw/zinc/12/06/16/429120616.db2.gz BZIHMBVISONJGE-UHFFFAOYSA-N 2 0 308.466 2.715 20 0 DFADRP CC(C)CCc1noc(C[N@@H+]2CC3(C[C@H]2C)CC[NH2+]CC3)n1 ZINC000424295968 429121220 /nfs/dbraw/zinc/12/12/20/429121220.db2.gz RTQVGEQPQIGVLV-CQSZACIVSA-N 2 0 306.454 2.622 20 0 DFADRP CC(C)CCc1noc(C[N@@H+]2CC3(C[C@@H]2C)CC[NH2+]CC3)n1 ZINC000424295966 429121341 /nfs/dbraw/zinc/12/13/41/429121341.db2.gz RTQVGEQPQIGVLV-AWEZNQCLSA-N 2 0 306.454 2.622 20 0 DFADRP COC(=O)c1ccc(F)c(C[N@@H+]2CC3(C[C@@H]2C)CC[NH2+]CC3)c1 ZINC000424299012 429123183 /nfs/dbraw/zinc/12/31/83/429123183.db2.gz VIULVYMTLCNSDM-ZDUSSCGKSA-N 2 0 320.408 2.576 20 0 DFADRP CCOc1ccc(OCC[N@@H+]2CC3(C[C@@H]2C)CC[NH2+]CC3)cc1 ZINC000424300543 429123200 /nfs/dbraw/zinc/12/32/00/429123200.db2.gz WPSNUKDZVSJFPB-INIZCTEOSA-N 2 0 318.461 2.928 20 0 DFADRP COc1ccc(OCC[N@@H+]2CC3(C[C@@H]2C)CC[NH2+]CC3)cc1 ZINC000424300510 429123455 /nfs/dbraw/zinc/12/34/55/429123455.db2.gz WMLCITNTDNYHCG-HNNXBMFYSA-N 2 0 304.434 2.538 20 0 DFADRP COC(=O)CC1CC([NH2+]CC2CC[NH+](CCC(C)C)CC2)C1 ZINC000424325566 429126289 /nfs/dbraw/zinc/12/62/89/429126289.db2.gz XQFNGFOWZAUUIG-UHFFFAOYSA-N 2 0 310.482 2.676 20 0 DFADRP C[C@@H](N[C@@H]1CCCC[C@H]1[NH3+])c1cccc(OCC[NH+](C)C)c1 ZINC000424373290 429131362 /nfs/dbraw/zinc/13/13/62/429131362.db2.gz JLHSMXZFUAXKQN-ZTFGCOKTSA-N 2 0 305.466 2.548 20 0 DFADRP CCC[C@H](C)NC(=O)[C@H]1CCC[N@H+](CC[C@@H]2CCCC[NH+]2C)C1 ZINC000435331564 429131481 /nfs/dbraw/zinc/13/14/81/429131481.db2.gz IBXAKPCTYVYYJK-BZSNNMDCSA-N 2 0 323.525 2.878 20 0 DFADRP [NH3+][C@@H]1CCCC[C@H]1N[C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000424370579 429132318 /nfs/dbraw/zinc/13/23/18/429132318.db2.gz DRFPCZVZFDQXRZ-OMQSBVIBSA-N 2 0 313.489 2.757 20 0 DFADRP COCCOc1ccc(C[N@@H+]2CC3(C[C@H]2C)CC[NH2+]CC3)cc1 ZINC000424382797 429134518 /nfs/dbraw/zinc/13/45/18/429134518.db2.gz STKWTFXFXUMHAJ-MRXNPFEDSA-N 2 0 318.461 2.676 20 0 DFADRP COc1ccc(C[C@H](C)C[N@@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)cc1F ZINC000435392092 429138664 /nfs/dbraw/zinc/13/86/64/429138664.db2.gz ZVAMJIDWNBEYKL-MKVSYHDVSA-N 2 0 306.425 2.682 20 0 DFADRP c1csc(C[N@@H+](C[C@H]2CCCOC2)[C@H]2CC23CC[NH2+]CC3)n1 ZINC000435425276 429138949 /nfs/dbraw/zinc/13/89/49/429138949.db2.gz CEIYIUOJNGUPBS-CABCVRRESA-N 2 0 321.490 2.514 20 0 DFADRP C[NH2+]CC1CC[NH+](C[C@@H](C)Cc2ccc(OC)c(F)c2)CC1 ZINC000435392970 429139720 /nfs/dbraw/zinc/13/97/20/429139720.db2.gz IGCPGWCORZSJRJ-AWEZNQCLSA-N 2 0 308.441 2.944 20 0 DFADRP Cc1cc(C[NH3+])cc(NC(=O)NC[C@@H]2[N@H+](C)CCCC2(C)C)c1 ZINC000424423035 429140734 /nfs/dbraw/zinc/14/07/34/429140734.db2.gz FPEOHSWOVMCJNI-INIZCTEOSA-N 2 0 318.465 2.696 20 0 DFADRP Cc1cc(C[NH3+])cc(NC(=O)NC[C@@H](C)[N@@H+]2CCCC[C@@H]2C)c1 ZINC000424433315 429141072 /nfs/dbraw/zinc/14/10/72/429141072.db2.gz DOIURGOXYKCPBZ-LSDHHAIUSA-N 2 0 318.465 2.838 20 0 DFADRP Cn1ccnc1C[N@H+](CC1CCCCC1)[C@@H]1CC12CC[NH2+]CC2 ZINC000435432677 429141333 /nfs/dbraw/zinc/14/13/33/429141333.db2.gz JXKBKJDUWPJUFU-QGZVFWFLSA-N 2 0 316.493 2.945 20 0 DFADRP CC[N@@H+]1CC[C@H](N(C)C(=O)Nc2cc(C)cc(C[NH3+])c2)C[C@@H]1C ZINC000424437819 429141442 /nfs/dbraw/zinc/14/14/42/429141442.db2.gz OTNDUMGYRFCZGW-YOEHRIQHSA-N 2 0 318.465 2.790 20 0 DFADRP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)Nc1cc(C)cc(C[NH3+])c1 ZINC000424441779 429141748 /nfs/dbraw/zinc/14/17/48/429141748.db2.gz XDBJNMSNPZBLAM-QGZVFWFLSA-N 2 0 318.465 2.840 20 0 DFADRP CCOCc1cc(C[N@H+](C)[C@@H]2CCC[NH2+]CC2)ccc1OC ZINC000435436659 429142373 /nfs/dbraw/zinc/14/23/73/429142373.db2.gz GUIFROPMGOSOJP-QGZVFWFLSA-N 2 0 306.450 2.806 20 0 DFADRP c1cc(C[N@@H+](C[C@H]2CCOC2)[C@@H]2CC23CC[NH2+]CC3)cs1 ZINC000435694972 429159790 /nfs/dbraw/zinc/15/97/90/429159790.db2.gz MUOJKHIPZUAOEU-GDBMZVCRSA-N 2 0 306.475 2.729 20 0 DFADRP CC[NH+]1CCN(Cc2ccccc2C[NH2+][C@@H]2C[C@H](C)[C@H]2C)CC1 ZINC000494889141 429161779 /nfs/dbraw/zinc/16/17/79/429161779.db2.gz JTNYENJDFVYVIX-SQGPQFPESA-N 2 0 315.505 2.958 20 0 DFADRP C[C@@H]1C[C@@H]([NH2+]CCCN2CC[NH+](Cc3ccccc3)CC2)[C@@H]1C ZINC000494911194 429164078 /nfs/dbraw/zinc/16/40/78/429164078.db2.gz QCRHWYIPFKEPBO-QWFCFKBJSA-N 2 0 315.505 2.828 20 0 DFADRP c1ccc(COC2CC([NH2+][C@@H]3CC[N@@H+]4CCC[C@H]4C3)C2)cc1 ZINC000364072069 429166534 /nfs/dbraw/zinc/16/65/34/429166534.db2.gz HLIMMXILCCEICH-RRENTHDGSA-N 2 0 300.446 2.951 20 0 DFADRP COCCCC[N@H+](Cc1nccs1)[C@@H]1CC12CC[NH2+]CC2 ZINC000435689031 429159010 /nfs/dbraw/zinc/15/90/10/429159010.db2.gz VSVNBNZWCJYPRF-CQSZACIVSA-N 2 0 309.479 2.514 20 0 DFADRP O[C@]1(c2ccccc2)CCC[N@H+](CCC[NH+]2CCCC2)CC1 ZINC000375085967 275060510 /nfs/dbraw/zinc/06/05/10/275060510.db2.gz XCPATAVNCIYZIE-LJQANCHMSA-N 2 0 302.462 2.846 20 0 DFADRP CC[NH+](CC)CCOCC[NH2+][C@@H]1CS[C@H](C(C)(C)C)C1 ZINC000488560292 429182929 /nfs/dbraw/zinc/18/29/29/429182929.db2.gz ORRPKFFSYQPRBM-GJZGRUSLSA-N 2 0 302.528 2.855 20 0 DFADRP C[C@@H](Cc1ccccc1)C[NH+]1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000364330099 429184418 /nfs/dbraw/zinc/18/44/18/429184418.db2.gz UFQMNXWGJFTQKN-AZUAARDMSA-N 2 0 315.505 2.577 20 0 DFADRP O=C(NC[C@@H](c1cccs1)[NH+]1CCCC1)[C@H]1CCCCC[NH2+]1 ZINC000364462499 429207166 /nfs/dbraw/zinc/20/71/66/429207166.db2.gz PTYKHGWVVZRRRP-CABCVRRESA-N 2 0 321.490 2.533 20 0 DFADRP C[NH+](C)[C@H]1CCC[C@H]([NH2+]CC(C)(C)NC(=O)OC(C)(C)C)C1 ZINC000495428745 429207847 /nfs/dbraw/zinc/20/78/47/429207847.db2.gz BCFGYWBWJYYQKE-KBPBESRZSA-N 2 0 313.486 2.752 20 0 DFADRP CC(C)c1ccc([C@@H]([NH3+])CNC(=O)C[C@@H]2CCC[NH2+]CC2)cc1 ZINC000364469220 429208525 /nfs/dbraw/zinc/20/85/25/429208525.db2.gz TVCNMKMRMOTNJG-QAPCUYQASA-N 2 0 317.477 2.706 20 0 DFADRP Cc1ccc(NC(=O)C[C@H]2CCC[NH2+]CC2)c(C[NH+](C)C)c1 ZINC000364498562 429214110 /nfs/dbraw/zinc/21/41/10/429214110.db2.gz XNWQUNNKMZJLIR-HNNXBMFYSA-N 2 0 303.450 2.775 20 0 DFADRP CCC[NH+](CCC)CCCC(=O)N1C[C@@H]2CCC[N@@H+]2C[C@@H]1CC ZINC000489049291 429216134 /nfs/dbraw/zinc/21/61/34/429216134.db2.gz XYHZOZGETSEDEP-ROUUACIJSA-N 2 0 323.525 2.974 20 0 DFADRP CC(C)(C)OC(=O)NC(C)(C)C[NH+]1CCC(c2ncc[nH]2)CC1 ZINC000495313710 429198578 /nfs/dbraw/zinc/19/85/78/429198578.db2.gz YFTJCXLZHASIMQ-UHFFFAOYSA-N 2 0 322.453 2.892 20 0 DFADRP C[C@@H]1C[C@@H](C[NH3+])C[N@@H+]1CCOc1ccc(OC(F)(F)F)cc1 ZINC000442769160 429234914 /nfs/dbraw/zinc/23/49/14/429234914.db2.gz MYJUBQXQMJLUFP-NEPJUHHUSA-N 2 0 318.339 2.633 20 0 DFADRP CCc1cc(NCCC[N@H+](C)CCOC)c2ccccc2[nH+]1 ZINC000443436044 429250423 /nfs/dbraw/zinc/25/04/23/429250423.db2.gz ZYEIMRIWBHJLRJ-UHFFFAOYSA-N 2 0 301.434 2.599 20 0 DFADRP C[C@H](C(=O)NC(C)(C)CCC[NH+](C)C)[N@H+](C)Cc1ccccc1 ZINC000456161665 429252147 /nfs/dbraw/zinc/25/21/47/429252147.db2.gz DKDJPGLJRFHAOP-MRXNPFEDSA-N 2 0 319.493 2.744 20 0 DFADRP Cc1c([C@H](C)[NH2+]C[C@@H]2CN3CCCC[C@@H]3CO2)cnn1C(C)C ZINC000364913097 429268362 /nfs/dbraw/zinc/26/83/62/429268362.db2.gz DPTVPBDDOFVKTL-USXIJHARSA-N 2 0 320.481 2.676 20 0 DFADRP C[C@H]1C[N@H+](CCC2CCCCC2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000491024691 429319047 /nfs/dbraw/zinc/31/90/47/429319047.db2.gz XWHQBXGAHFWTSQ-PKOBYXMFSA-N 2 0 307.526 2.915 20 0 DFADRP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+]CCn2cccn2)CC1 ZINC000449084082 429327779 /nfs/dbraw/zinc/32/77/79/429327779.db2.gz FMWWVTCBFBMPJR-QGZVFWFLSA-N 2 0 312.461 2.568 20 0 DFADRP C[C@@H]1CC[C@@H](C)[C@@H]([NH2+]Cc2cccnc2N2CC[NH+](C)CC2)C1 ZINC000449103318 429332308 /nfs/dbraw/zinc/33/23/08/429332308.db2.gz AQDBPNJKEVZLJH-NUJGCVRESA-N 2 0 316.493 2.748 20 0 DFADRP Cc1ccccc1[C@@H]([NH3+])C(=O)N(C)CC[N@H+](C)C1CCCCC1 ZINC000449107243 429332858 /nfs/dbraw/zinc/33/28/58/429332858.db2.gz LWTQTDVAFSDFER-GOSISDBHSA-N 2 0 317.477 2.718 20 0 DFADRP C[C@H](Cc1ccccc1)[NH+]1CCC(NC[C@@H]2CCC[N@@H+]2C)CC1 ZINC000449102005 429333199 /nfs/dbraw/zinc/33/31/99/429333199.db2.gz HWNZLKQOVBLRMM-XLIONFOSSA-N 2 0 315.505 2.766 20 0 DFADRP COc1cc(F)cc(C[NH2+]CCCC[NH+]2C[C@H](C)O[C@@H](C)C2)c1 ZINC000449103655 429333379 /nfs/dbraw/zinc/33/33/79/429333379.db2.gz RLEGTFOLWHBVNX-GJZGRUSLSA-N 2 0 324.440 2.813 20 0 DFADRP COc1cc(C)ccc1C[NH2+]CCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000449103791 429333464 /nfs/dbraw/zinc/33/34/64/429333464.db2.gz RZWCYXDBZIRVPJ-CALCHBBNSA-N 2 0 320.477 2.983 20 0 DFADRP C[NH2+][C@@H](CC(C)(C)C)C(=O)NCCCCC[NH+]1CCCCC1 ZINC000449121320 429335913 /nfs/dbraw/zinc/33/59/13/429335913.db2.gz HESYUNAQJQKNJY-INIZCTEOSA-N 2 0 311.514 2.783 20 0 DFADRP CC(C)CC[C@@H]1CC[C@@H]([NH2+]CCC[N@@H+]2CCC[C@H](C(N)=O)C2)C1 ZINC000449134704 429339822 /nfs/dbraw/zinc/33/98/22/429339822.db2.gz KXEDNDZUIGGTJG-FGTMMUONSA-N 2 0 323.525 2.768 20 0 DFADRP CC(C)C[C@@H](C)OC(=O)N(CC[NH+](C)C)C1CC[NH+](C)CC1 ZINC000495915997 429292852 /nfs/dbraw/zinc/29/28/52/429292852.db2.gz SHPYLMDIXKBKCC-OAHLLOKOSA-N 2 0 313.486 2.515 20 0 DFADRP C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)C[C@@H]2CCCC[C@@H]2[NH3+])C1 ZINC000449336670 429391192 /nfs/dbraw/zinc/39/11/92/429391192.db2.gz OGFGLVLOSQSHNF-PMPSAXMXSA-N 2 0 309.498 2.521 20 0 DFADRP C[N@@H+]1CC[C@]2(CCN(Cc3ccc4c(c3)OCCCCO4)C2)C1 ZINC000449339134 429392723 /nfs/dbraw/zinc/39/27/23/429392723.db2.gz JKVABXAIDBEGIF-IBGZPJMESA-N 2 0 316.445 2.766 20 0 DFADRP C([NH+]1CC[C@H]2CCC[C@H]21)C1(C[N@@H+]2CC[C@@H]3CCC[C@H]32)COC1 ZINC000426457192 429393120 /nfs/dbraw/zinc/39/31/20/429393120.db2.gz XRLJZTPEUWROFE-XMTFNYHQSA-N 2 0 304.478 2.752 20 0 DFADRP C[N@@H+]1C[C@@H]2C[NH+](C[C@@H]3CCSC3)C[C@@H]2[C@H]1c1ccccc1 ZINC000365876840 429394632 /nfs/dbraw/zinc/39/46/32/429394632.db2.gz LKNVPDQHRWQLOH-XOYOTBSWSA-N 2 0 302.487 2.974 20 0 DFADRP C[NH+]1CCC(CC(=O)N[C@H]2CCC[N@@H+](C3CCCCC3)C2)CC1 ZINC000365881921 429396610 /nfs/dbraw/zinc/39/66/10/429396610.db2.gz DTZNAIJFDWBUPB-KRWDZBQOSA-N 2 0 321.509 2.632 20 0 DFADRP C[C@@H]([NH2+]CC1=CCOCC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000449405438 429405484 /nfs/dbraw/zinc/40/54/84/429405484.db2.gz YMPRRBMTWLQGCC-APWZRJJASA-N 2 0 300.446 2.833 20 0 DFADRP c1c(C[N@@H+]2CCC[C@@]3(CCSC3)C2)onc1C1CC[NH2+]CC1 ZINC000425893198 429349021 /nfs/dbraw/zinc/34/90/21/429349021.db2.gz BSMNPBPGNAQFRQ-QGZVFWFLSA-N 2 0 321.490 2.861 20 0 DFADRP C[NH+](C)CC[C@@H](NCc1cc(C2CC[NH2+]CC2)no1)C(C)(C)C ZINC000425899903 429350958 /nfs/dbraw/zinc/35/09/58/429350958.db2.gz MMCGEZIXKNWLMM-QGZVFWFLSA-N 2 0 322.497 2.598 20 0 DFADRP C[C@H](Cc1ccoc1)[NH2+]C1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000449182871 429351737 /nfs/dbraw/zinc/35/17/37/429351737.db2.gz DCZMJIZFZQZQPV-JLSDUUJJSA-N 2 0 306.450 2.568 20 0 DFADRP COC(=O)C1CCC([NH2+]CCCC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000425949503 429353348 /nfs/dbraw/zinc/35/33/48/429353348.db2.gz IMPNSMDWEMGKLO-KLAILNCOSA-N 2 0 310.482 2.962 20 0 DFADRP C[C@H](Cc1ccccc1)[NH+]1CCC(NCC[NH+]2CCCC2)CC1 ZINC000449218776 429361306 /nfs/dbraw/zinc/36/13/06/429361306.db2.gz KQKPBBAMZYNVSO-GOSISDBHSA-N 2 0 315.505 2.767 20 0 DFADRP C[C@H](C[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@@H]21)N1CCc2ccccc21 ZINC000513689416 429362014 /nfs/dbraw/zinc/36/20/14/429362014.db2.gz BVIZAKQYGVEEDM-UIXUWTQFSA-N 2 0 313.489 2.900 20 0 DFADRP C[N@@H+]1CC[C@H]([NH2+]CCCN2CCc3ccccc32)[C@@H]2CCC[C@H]21 ZINC000513755176 429362175 /nfs/dbraw/zinc/36/21/75/429362175.db2.gz QKBFGXNVIWPZGV-CMKODMSKSA-N 2 0 313.489 2.902 20 0 DFADRP COC[C@@H](C[NH2+]C1CC[NH+](C(C)(C)CC(C)(C)C)CC1)OC ZINC000449232316 429364075 /nfs/dbraw/zinc/36/40/75/429364075.db2.gz HRVAOYQXCKFIRA-MRXNPFEDSA-N 2 0 314.514 2.917 20 0 DFADRP C[C@@H](O)CCC[NH2+]C1CC[NH+]([C@@H](C)Cc2ccccc2)CC1 ZINC000449291593 429378616 /nfs/dbraw/zinc/37/86/16/429378616.db2.gz MPLMXDKRUDYRTA-DLBZAZTESA-N 2 0 304.478 2.833 20 0 DFADRP CC[NH+](CC)[C@H](CNC(=O)C[C@H]1CCCC[C@H]1[NH3+])CC(C)C ZINC000449319648 429385893 /nfs/dbraw/zinc/38/58/93/429385893.db2.gz ZEUBGEDOCIEBQJ-IXDOHACOSA-N 2 0 311.514 2.767 20 0 DFADRP C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)C[C@@H]1CCCC[C@H]1[NH3+] ZINC000449326434 429387362 /nfs/dbraw/zinc/38/73/62/429387362.db2.gz VTMHAWZLKIVULZ-IXDOHACOSA-N 2 0 309.498 2.665 20 0 DFADRP COc1cc(F)cc(C[N@@H+]2CC[C@@H](C3CC[NH+](C)CC3)C2)c1 ZINC000449324589 429387523 /nfs/dbraw/zinc/38/75/23/429387523.db2.gz GGRCAHFNUAHRNE-MRXNPFEDSA-N 2 0 306.425 2.998 20 0 DFADRP C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)C[C@H]1CCCC[C@H]1[NH3+] ZINC000449326432 429387681 /nfs/dbraw/zinc/38/76/81/429387681.db2.gz VTMHAWZLKIVULZ-BRWVUGGUSA-N 2 0 309.498 2.665 20 0 DFADRP CC1CC[NH+](CCCCNC(=O)C[C@H]2CCCC[C@@H]2[NH3+])CC1 ZINC000449324369 429388407 /nfs/dbraw/zinc/38/84/07/429388407.db2.gz DVFRWOBTPUKWLN-SJORKVTESA-N 2 0 309.498 2.522 20 0 DFADRP Cc1nn2c(C[NH2+]C(C)(C)CCC[NH+](C)C)c(C)nc2s1 ZINC000449527450 429444219 /nfs/dbraw/zinc/44/42/19/429444219.db2.gz ILILQIJMPOJOCQ-UHFFFAOYSA-N 2 0 309.483 2.618 20 0 DFADRP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+](C)[C@@H](CO)CC(C)(C)C ZINC000449582121 429453854 /nfs/dbraw/zinc/45/38/54/429453854.db2.gz DRFYGGHLKAXWDC-QGZVFWFLSA-N 2 0 316.449 2.805 20 0 DFADRP c1c[nH]c([C@H](N[C@@H]2CC[N@@H+](C3CCCC3)C2)c2cccnc2)n1 ZINC000366453001 429455116 /nfs/dbraw/zinc/45/51/16/429455116.db2.gz SFMFPQJKJZGGCB-NVXWUHKLSA-N 2 0 311.433 2.501 20 0 DFADRP CCCC[N@H+](C)C[C@@H](C)NC(=O)CCn1ccnc1C(C)C ZINC000426765758 429414100 /nfs/dbraw/zinc/41/41/00/429414100.db2.gz RWDWGHLBKGOKFU-OAHLLOKOSA-N 2 0 308.470 2.633 20 0 DFADRP COc1cc2c(c(CN3CC[C@@]4(CC[N@H+](C)C4)C3)c1)O[C@@H](C)C2 ZINC000366535503 429469884 /nfs/dbraw/zinc/46/98/84/429469884.db2.gz ONNINJZBIDIDOD-IFXJQAMLSA-N 2 0 316.445 2.546 20 0 DFADRP C[N@H+](CCCCNC(=O)[C@H]1CCCC[NH+]1C1CCCC1)C1CC1 ZINC000457163117 429415732 /nfs/dbraw/zinc/41/57/32/429415732.db2.gz GOGRBGKOJLETTP-GOSISDBHSA-N 2 0 321.509 2.774 20 0 DFADRP CCOCCC[NH+]1CCC(CC[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000426809568 429416601 /nfs/dbraw/zinc/41/66/01/429416601.db2.gz FGCDVHIOLXMTRY-IRXDYDNUSA-N 2 0 312.498 2.624 20 0 DFADRP CC[N@H+](Cc1ccc(C(=O)NC(C)(C)C[NH+](C)C)cc1)C(C)C ZINC000457199272 429424969 /nfs/dbraw/zinc/42/49/69/429424969.db2.gz CEBCFJOIBILHPZ-UHFFFAOYSA-N 2 0 319.493 2.987 20 0 DFADRP CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@H](CCC)[NH2+]C(C)C ZINC000491900260 429430564 /nfs/dbraw/zinc/43/05/64/429430564.db2.gz DMXMVYZOZCWSOK-SJORKVTESA-N 2 0 311.514 2.924 20 0 DFADRP CCc1cccc(Cl)c1CNC1(CCO)CC[NH+](C)CC1 ZINC000518796054 429436132 /nfs/dbraw/zinc/43/61/32/429436132.db2.gz OSJSEUMRIMVPCY-UHFFFAOYSA-N 2 0 310.869 2.839 20 0 DFADRP CC(C)c1nc([C@H]2CCCN2CCCc2cncn2C)no1 ZINC000518790948 429436607 /nfs/dbraw/zinc/43/66/07/429436607.db2.gz RUIXYTZDPPAWPC-CQSZACIVSA-N 2 0 303.410 2.696 20 0 DFADRP C/C=C(\C=C\C(=O)N(C)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1)CC ZINC000366229694 429438028 /nfs/dbraw/zinc/43/80/28/429438028.db2.gz AYGQYAPVFXTSNI-PIISJDTDSA-N 2 0 319.493 2.526 20 0 DFADRP C[C@H]1CCCC[N@@H+]1CCC1CCN(C(=O)/C=C\C[NH+](C)C)CC1 ZINC000492162826 429479114 /nfs/dbraw/zinc/47/91/14/429479114.db2.gz UJYDQOXFRDJKAX-QLBOMPFWSA-N 2 0 321.509 2.607 20 0 DFADRP Cc1ccc(NC(=O)[C@H](C)N2CC[C@]3(CC[N@H+](C)C3)C2)c(C)c1 ZINC000366571608 429479700 /nfs/dbraw/zinc/47/97/00/429479700.db2.gz XZRVFSNTSBRVEP-LPHOPBHVSA-N 2 0 315.461 2.658 20 0 DFADRP CC(C)[C@H](O)C[NH2+][C@@H]1CCN(Cc2ccccc2)CC1(C)C ZINC000366604138 429486056 /nfs/dbraw/zinc/48/60/56/429486056.db2.gz RXEARFGBGSPKRM-QZTJIDSGSA-N 2 0 304.478 2.894 20 0 DFADRP CC[N@H+](Cc1ccc(C(=O)N[C@H]2CC[C@H](C[NH3+])C2)cc1)C(C)C ZINC000449716845 429488938 /nfs/dbraw/zinc/48/89/38/429488938.db2.gz DBYLGKDBOKTOBH-WMZOPIPTSA-N 2 0 317.477 2.774 20 0 DFADRP C[C@H]1C[C@H]([NH2+]C[C@@H]2CCC[C@H]2O)CCN1Cc1ccccc1 ZINC000449735218 429490953 /nfs/dbraw/zinc/49/09/53/429490953.db2.gz GHNNQRUDDRJQEW-GDAAHCPNSA-N 2 0 302.462 2.790 20 0 DFADRP CC[NH+]1CCN(CC(C)(C)[NH2+]C[C@@H]2C(C)=CCC[C@@H]2C)CC1 ZINC000449747495 429495418 /nfs/dbraw/zinc/49/54/18/429495418.db2.gz XGMOJRVAPRWMFV-ZWKOTPCHSA-N 2 0 307.526 2.985 20 0 DFADRP CC[N@H+](Cc1ccc(C(=O)N[C@@H]2CC[NH2+]C2(C)C)cc1)C(C)C ZINC000449748288 429498657 /nfs/dbraw/zinc/49/86/57/429498657.db2.gz BEFUHCMBKSVNAJ-QGZVFWFLSA-N 2 0 317.477 2.787 20 0 DFADRP CC[N@H+](Cc1ccc(C(=O)N[C@H]2CC[NH2+]C2(C)C)cc1)C1CC1 ZINC000449755498 429499392 /nfs/dbraw/zinc/49/93/92/429499392.db2.gz UFHPXVBJTWHOEF-KRWDZBQOSA-N 2 0 315.461 2.541 20 0 DFADRP CC[N@H+](CCC1CCN(Cc2nnc(C)[nH]2)CC1)CC(C)C ZINC000428297223 429507423 /nfs/dbraw/zinc/50/74/23/429507423.db2.gz FVTDBDNGSGHJCG-UHFFFAOYSA-N 2 0 307.486 2.693 20 0 DFADRP CCN1CCC([N@H+](C[C@@H](O)Cc2ccccc2)C2CC2)CC1 ZINC000367006924 429556581 /nfs/dbraw/zinc/55/65/81/429556581.db2.gz KBIRHUABDVXXCC-IBGZPJMESA-N 2 0 302.462 2.539 20 0 DFADRP C[NH+](C)CCOc1ccc(C[NH2+][C@@H]2CCC23CCOCC3)cc1 ZINC000367049865 429565816 /nfs/dbraw/zinc/56/58/16/429565816.db2.gz JVEJYWGPZBWXKK-GOSISDBHSA-N 2 0 318.461 2.676 20 0 DFADRP C[N@@H+]1CC[C@@]2(CCN(Cc3ccc(Oc4ccccc4)nn3)C2)C1 ZINC000429026451 429574222 /nfs/dbraw/zinc/57/42/22/429574222.db2.gz YMVRPXKKTMPQTO-LJQANCHMSA-N 2 0 324.428 2.797 20 0 DFADRP Cc1nccn1CCC[N@@H+]1CCC[C@H]1CNc1cccc(C)n1 ZINC000367118160 429580467 /nfs/dbraw/zinc/58/04/67/429580467.db2.gz YFRJHKMDPSAGKN-KRWDZBQOSA-N 3 0 313.449 2.862 20 0 DFADRP CC[NH+](CC)C[C@H]1CCN(C[C@@H](C)NC(=O)OC(C)(C)C)C1 ZINC000492440804 429538102 /nfs/dbraw/zinc/53/81/02/429538102.db2.gz YDWMPTNQEGBZTL-HUUCEWRRSA-N 2 0 313.486 2.563 20 0 DFADRP C[C@@H](NC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1)C(C)(C)C[NH+](C)C ZINC000449936622 429539752 /nfs/dbraw/zinc/53/97/52/429539752.db2.gz DSLCWMALTBQIFE-WBVHZDCISA-N 2 0 323.525 2.876 20 0 DFADRP C[N@H+](C[C@H]1CC12CC[NH+](C[C@@H](O)c1ccccc1)CC2)C1CC1 ZINC000367308929 429618073 /nfs/dbraw/zinc/61/80/73/429618073.db2.gz GFPZGKUMRMLOGJ-IEBWSBKVSA-N 2 0 314.473 2.916 20 0 DFADRP CC[C@@H]1CCC[C@H]1[NH2+]CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000429759788 429630533 /nfs/dbraw/zinc/63/05/33/429630533.db2.gz AOFVQZUIAJVSBN-NXHRZFHOSA-N 2 0 317.477 2.574 20 0 DFADRP CC[N@@H+]1CC[C@@H](N(C)CC(=O)Nc2ccc(C)cc2F)[C@H](C)C1 ZINC000429809157 429634288 /nfs/dbraw/zinc/63/42/88/429634288.db2.gz QVFVDWKEIVPTJA-RHSMWYFYSA-N 2 0 321.440 2.735 20 0 DFADRP CC[NH+](CC)Cc1cccc(CNC(=O)C=Cc2c[nH]cn2)c1 ZINC000492894547 429639132 /nfs/dbraw/zinc/63/91/32/429639132.db2.gz HDUAQSCAKLHNTA-CMDGGOBGSA-N 2 0 312.417 2.581 20 0 DFADRP C[C@H](c1ccccc1)[C@H](O)C[NH+]1CCC(CC[NH+](C)C)CC1 ZINC000450290336 429593185 /nfs/dbraw/zinc/59/31/85/429593185.db2.gz UCXFFNDZVJOXCT-VQIMIIECSA-N 2 0 304.478 2.815 20 0 DFADRP Cc1cnn(C)c1CNC1CC[NH+](Cc2cccc(C)c2)CC1 ZINC000367230244 429600941 /nfs/dbraw/zinc/60/09/41/429600941.db2.gz IGNOUXFSOIIJCN-UHFFFAOYSA-N 2 0 312.461 2.791 20 0 DFADRP C[C@H]1CC[C@H](C)[NH+]1CCN1CC[NH+](CC2=CCCCC2)CC1 ZINC000450332745 429601525 /nfs/dbraw/zinc/60/15/25/429601525.db2.gz XTTTXURXGKFTDW-ROUUACIJSA-N 2 0 305.510 2.977 20 0 DFADRP CC[N@@H+]1CC[C@H](N(C)Cc2ccn(CC(F)(F)F)n2)[C@@H](C)C1 ZINC000450574096 429652070 /nfs/dbraw/zinc/65/20/70/429652070.db2.gz ZDEDGFLMXDWESP-JSGCOSHPSA-N 2 0 318.387 2.608 20 0 DFADRP Cc1ccc(C[NH+]2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)c(C)c1 ZINC000367472407 429657736 /nfs/dbraw/zinc/65/77/36/429657736.db2.gz KTPJVURIMFFTTQ-LJQANCHMSA-N 2 0 301.478 2.515 20 0 DFADRP CC(C)[NH+]1CCN([C@@H]2CC[N@H+](C[C@@H]3CCC[C@@H](C)C3)C2)CC1 ZINC000367494753 429659020 /nfs/dbraw/zinc/65/90/20/429659020.db2.gz HDRWUKCRXDFEJW-GUDVDZBRSA-N 2 0 307.526 2.913 20 0 DFADRP CC(C)[NH+]1CCN([C@@H]2CC[N@H+](C[C@H]3CCC[C@@H](C)C3)C2)CC1 ZINC000367494752 429659913 /nfs/dbraw/zinc/65/99/13/429659913.db2.gz HDRWUKCRXDFEJW-CEXWTWQISA-N 2 0 307.526 2.913 20 0 DFADRP C[N@@H+]1CC[C@H]([NH2+]Cc2cnn(-c3ccccc3)c2)[C@@H]2CCC[C@H]21 ZINC000367517921 429664032 /nfs/dbraw/zinc/66/40/32/429664032.db2.gz FILBQPNWYKPMAG-GBESFXJTSA-N 2 0 310.445 2.835 20 0 DFADRP C[C@H]1C[N@H+](CCC2=CCCCC2)CCN1C1CC[NH+](C)CC1 ZINC000450651289 429670212 /nfs/dbraw/zinc/67/02/12/429670212.db2.gz LKDPPMGTRDSIDQ-KRWDZBQOSA-N 2 0 305.510 2.977 20 0 DFADRP CC[NH+](CC)Cc1cccc(CNC(=O)CC[C@H]2CCC[NH2+]2)c1 ZINC000292184450 276110027 /nfs/dbraw/zinc/11/00/27/276110027.db2.gz XCLNUKIZYHVSNK-GOSISDBHSA-N 2 0 317.477 2.677 20 0 DFADRP CC[NH+](CC)Cc1cccc(CNC(=O)CC[C@@H]2CCC[NH2+]2)c1 ZINC000292184454 276110059 /nfs/dbraw/zinc/11/00/59/276110059.db2.gz XCLNUKIZYHVSNK-SFHVURJKSA-N 2 0 317.477 2.677 20 0 DFADRP Cc1cc(F)ccc1[C@@H](O)CN(C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000367583786 429678360 /nfs/dbraw/zinc/67/83/60/429678360.db2.gz FWLIVLSXELEOHR-ONYGOOLBSA-N 2 0 306.425 2.725 20 0 DFADRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@@H](c1ncc[nH]1)C1CCCCC1 ZINC000367597613 429680556 /nfs/dbraw/zinc/68/05/56/429680556.db2.gz BXZHUZQHYUPXSC-IAGOWNOFSA-N 2 0 322.497 2.978 20 0 DFADRP C[N@@H+]1CC[C@H]([NH2+]Cc2ccccc2Cn2cccn2)[C@@H]2CCC[C@H]21 ZINC000367601064 429681257 /nfs/dbraw/zinc/68/12/57/429681257.db2.gz MELQDQLTICDHRY-SLFFLAALSA-N 2 0 324.472 2.894 20 0 DFADRP CC[NH+]1CCN([C@H](C)C[NH2+][C@@H]2CCCc3sccc32)CC1 ZINC000155693336 276199469 /nfs/dbraw/zinc/19/94/69/276199469.db2.gz SDKQBVFHDIWDON-GDBMZVCRSA-N 2 0 307.507 2.741 20 0 DFADRP CC[N@@H+]1CC[C@@H](NC2CC[NH+](CC3CCCC3)CC2)[C@H](C)C1 ZINC000120735072 276216816 /nfs/dbraw/zinc/21/68/16/276216816.db2.gz CPMDHLSJCNPICF-VQIMIIECSA-N 2 0 307.526 2.961 20 0 DFADRP C[C@@H]([NH3+])[C@H]1CCCN(CC(=O)N(C2CC2)C2CCC(C)CC2)C1 ZINC000430548572 429689132 /nfs/dbraw/zinc/68/91/32/429689132.db2.gz MCSRQKFURWWRRW-GMRIPVOYSA-N 2 0 321.509 2.615 20 0 DFADRP CCc1ccc(-c2noc(CN(C)CC(C)(C)C[NH3+])n2)cc1 ZINC000430544741 429689174 /nfs/dbraw/zinc/68/91/74/429689174.db2.gz GPKSTLCNSBFDEZ-UHFFFAOYSA-N 2 0 302.422 2.716 20 0 DFADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@@H](C)N2CCc3ccccc32)[C@@H](C)C1 ZINC000246969208 276228948 /nfs/dbraw/zinc/22/89/48/276228948.db2.gz JIPLQTHWIHISBU-JZXOWHBKSA-N 2 0 301.478 2.758 20 0 DFADRP C[N@@H+]1CC[C@H]([NH2+]CC[C@](C)(O)c2ccccc2)[C@H]2CCC[C@@H]21 ZINC000367631759 429689583 /nfs/dbraw/zinc/68/95/83/429689583.db2.gz FFGGLTNRHMOZBQ-XWSJACJDSA-N 2 0 302.462 2.747 20 0 DFADRP CCN1C[C@@H](C)[C@H]([NH2+]Cc2cccc(C[N@H+](C)C(C)C)c2)C1 ZINC000358055727 276243474 /nfs/dbraw/zinc/24/34/74/276243474.db2.gz CGTQMTSNNZLQNX-VQIMIIECSA-N 2 0 303.494 2.957 20 0 DFADRP CN1CC[NH+](CC2(C)CC[NH+](CC34CCC(CC3)C4)CC2)CC1 ZINC000450737114 429688134 /nfs/dbraw/zinc/68/81/34/429688134.db2.gz KOCUUFOMVORIPI-UHFFFAOYSA-N 2 0 319.537 2.916 20 0 DFADRP Cc1cccc(C)c1OCCC[NH+]1CCC(OCCC[NH3+])CC1 ZINC000430597037 429698752 /nfs/dbraw/zinc/69/87/52/429698752.db2.gz YFALVWZCTPVASG-UHFFFAOYSA-N 2 0 320.477 2.902 20 0 DFADRP CCOC[C@@H]1CCC[C@@H]1[NH2+]C1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000354452080 276330842 /nfs/dbraw/zinc/33/08/42/276330842.db2.gz BTBLFIJMYILZHF-GDAAHCPNSA-N 2 0 324.509 2.549 20 0 DFADRP CC[NH+]1CCC(N(C)C(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC000362485915 276358593 /nfs/dbraw/zinc/35/85/93/276358593.db2.gz HPFXFPNDBPSLGS-INIZCTEOSA-N 2 0 321.509 2.584 20 0 DFADRP C[N@H+](CCC(=O)Nc1ccc(Cl)cc1F)CC(C)(C)C[NH3+] ZINC000430578074 429697048 /nfs/dbraw/zinc/69/70/48/429697048.db2.gz DEWBBWXTXDVWGN-UHFFFAOYSA-N 2 0 315.820 2.724 20 0 DFADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1cc(C)cs1 ZINC000294371228 276378019 /nfs/dbraw/zinc/37/80/19/276378019.db2.gz BHZABAQVGVIMLO-HNNXBMFYSA-N 2 0 323.506 2.545 20 0 DFADRP [NH3+]C[C@H]1CCC[N@H+](CCc2nc(-c3ccc(Cl)cc3)no2)C1 ZINC000430600125 429701906 /nfs/dbraw/zinc/70/19/06/429701906.db2.gz ABKKQVNGZQXHFU-GFCCVEGCSA-N 2 0 320.824 2.603 20 0 DFADRP C[NH+](C)[C@H](CNC(=O)[C@@H]1CCCCCC[C@H]1[NH3+])c1ccsc1 ZINC000430767330 429716704 /nfs/dbraw/zinc/71/67/04/429716704.db2.gz WDLWBEHTKZQJHI-BZUAXINKSA-N 2 0 323.506 2.765 20 0 DFADRP CC[N@@H+]1CC[C@H](N(C)C(=O)[C@H](C)[C@@H]([NH3+])c2ccccc2)C[C@H]1C ZINC000430797355 429717790 /nfs/dbraw/zinc/71/77/90/429717790.db2.gz OMTBLZVFQZNEEQ-XYVMCAHJSA-N 2 0 317.477 2.654 20 0 DFADRP CC(C)[C@H](O)C[N@@H+]1CCC[C@H]([NH+](C)Cc2ccccc2)CC1 ZINC000367795452 429719105 /nfs/dbraw/zinc/71/91/05/429719105.db2.gz VVKLEUDWEBPVOP-RBUKOAKNSA-N 2 0 304.478 2.990 20 0 DFADRP C[NH+](C)[C@H](CNC(=O)[C@@H]1CCCCCC[C@H]1[NH3+])c1cccs1 ZINC000430853217 429720489 /nfs/dbraw/zinc/72/04/89/429720489.db2.gz VNFQKMYQGWSVTA-RBSFLKMASA-N 2 0 323.506 2.765 20 0 DFADRP C[C@H](C(=O)NCC[N@H+]1[C@H](C)CCC[C@@H]1C)[C@@H]([NH3+])c1ccccc1 ZINC000430894317 429722038 /nfs/dbraw/zinc/72/20/38/429722038.db2.gz MKVWXEHDEHSVGE-UIBIWLFHSA-N 2 0 317.477 2.702 20 0 DFADRP Cc1ccccc1[C@H](C)NC(=O)[C@@H](C)[NH+]1CCC([C@@H](C)[NH3+])CC1 ZINC000430917428 429722761 /nfs/dbraw/zinc/72/27/61/429722761.db2.gz DDZUBNSSLLRQEM-OWCLPIDISA-N 2 0 317.477 2.620 20 0 DFADRP Cc1ccc(-c2n[nH]cc2C[NH+]2CCC3(CC[NH2+]C3)CC2)cc1 ZINC000430915154 429722973 /nfs/dbraw/zinc/72/29/73/429722973.db2.gz OSQCSGHDINYXLY-UHFFFAOYSA-N 2 0 310.445 2.961 20 0 DFADRP Cn1cc(-c2ccc(C[NH+]3CCC4(CC[NH2+]C4)CC3)s2)cn1 ZINC000430925010 429725255 /nfs/dbraw/zinc/72/52/55/429725255.db2.gz JSIGLTNYXXWHQL-UHFFFAOYSA-N 2 0 316.474 2.724 20 0 DFADRP CCc1ccc(-c2noc(C[NH+]3CCC([C@H](C)[NH3+])CC3)n2)cc1 ZINC000430936645 429727257 /nfs/dbraw/zinc/72/72/57/429727257.db2.gz VOMBLCSKOYUKLP-ZDUSSCGKSA-N 2 0 314.433 2.858 20 0 DFADRP C[NH2+]CC1CC[NH+]([C@@H](C)c2nc(-c3ccccc3)no2)CC1 ZINC000430946834 429728153 /nfs/dbraw/zinc/72/81/53/429728153.db2.gz BQNMTKYSYXMATH-ZDUSSCGKSA-N 2 0 300.406 2.729 20 0 DFADRP Cc1c(F)cccc1NC(=O)CC[NH+]1CCC([C@H](C)[NH3+])CC1 ZINC000430952162 429730402 /nfs/dbraw/zinc/73/04/02/429730402.db2.gz ORAZELWYPUYYGK-ZDUSSCGKSA-N 2 0 307.413 2.522 20 0 DFADRP CNC(=O)CC[C@@H]1CCCC[N@@H+]1C[C@H]1CCCCN1C(C)C ZINC000450993395 429746965 /nfs/dbraw/zinc/74/69/65/429746965.db2.gz VRQMJDFYVYWZMX-DLBZAZTESA-N 2 0 309.498 2.630 20 0 DFADRP CC(C)([NH3+])c1noc(C[NH2+]C(C)(C)CCc2ccccc2)n1 ZINC000431083014 429740150 /nfs/dbraw/zinc/74/01/50/429740150.db2.gz KKNXQXZRLCRYRG-UHFFFAOYSA-N 2 0 302.422 2.764 20 0 DFADRP CN(C(=O)/C=C/c1ncc[nH]1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000493641850 429801419 /nfs/dbraw/zinc/80/14/19/429801419.db2.gz KRFHZOOLDXJSJV-BQYQJAHWSA-N 2 0 324.428 2.546 20 0 DFADRP C[NH+](C)[C@@H](CNC(=O)CC[C@H]1CCCC[N@@H+]1C)c1cccs1 ZINC000431572250 429770629 /nfs/dbraw/zinc/77/06/29/429770629.db2.gz SRYZOBFPMJPOQA-CABCVRRESA-N 2 0 323.506 2.732 20 0 DFADRP Cc1noc(C2CCC([NH2+][C@@H]3CCC[C@H]([NH+](C)C)C3)CC2)n1 ZINC000368032019 429772783 /nfs/dbraw/zinc/77/27/83/429772783.db2.gz WGZZFONZVSZIBF-FJBKBRRZSA-N 2 0 306.454 2.867 20 0 DFADRP COCCC[NH+]1CCC([NH2+]Cc2ccc3cc[nH]c3c2)CC1 ZINC000527653455 429772969 /nfs/dbraw/zinc/77/29/69/429772969.db2.gz QMZSOINECIXIIA-UHFFFAOYSA-N 2 0 301.434 2.758 20 0 DFADRP CCOc1cc(C[NH2+]CC2=CC[N@H+](C)CC2)c(F)cc1OC ZINC000527682452 429778802 /nfs/dbraw/zinc/77/88/02/429778802.db2.gz HDSYTRAGDSJMOR-UHFFFAOYSA-N 2 0 308.397 2.585 20 0 DFADRP C[NH+](C)[C@H](CC(=O)NCC1([NH+](C)C)CCCC1)c1ccccc1 ZINC000431906663 429789284 /nfs/dbraw/zinc/78/92/84/429789284.db2.gz HFYOVUQWMHHKNL-QGZVFWFLSA-N 2 0 317.477 2.670 20 0 DFADRP C[C@H]([NH2+]Cc1ccccc1C[N@@H+]1CC[C@H](O)C1)[C@H]1CC12CC2 ZINC000527886533 429815405 /nfs/dbraw/zinc/81/54/05/429815405.db2.gz KYJLESPCABVMNC-JCGIZDLHSA-N 2 0 300.446 2.531 20 0 DFADRP C[NH+]1CCN(C[C@@H]2CCC[N@@H+]([C@@H]3C[C@H]3c3ccccc3)C2)CC1 ZINC000368260275 429817319 /nfs/dbraw/zinc/81/73/19/429817319.db2.gz IXIRMPQOPYOJQR-YSIASYRMSA-N 2 0 313.489 2.502 20 0 DFADRP CSc1ccc(C[NH2+]CCC[N@@H+]2CCCO[C@H](C)C2)cc1 ZINC000432353493 429817480 /nfs/dbraw/zinc/81/74/80/429817480.db2.gz MFRWMOZZLLPAPB-OAHLLOKOSA-N 2 0 308.491 2.999 20 0 DFADRP C[C@H]1C[N@H+](CCC[NH2+]Cc2cc3c(cccc3F)[nH]2)CCCO1 ZINC000432351377 429817845 /nfs/dbraw/zinc/81/78/45/429817845.db2.gz LYUNUEIYCHDFAF-AWEZNQCLSA-N 2 0 319.424 2.898 20 0 DFADRP C[NH+]1CCC(CC(=O)NC2CC[NH+](C3CCCCC3)CC2)CC1 ZINC000368277046 429823029 /nfs/dbraw/zinc/82/30/29/429823029.db2.gz AETBGURECBAXNR-UHFFFAOYSA-N 2 0 321.509 2.632 20 0 DFADRP C(NC1CC[NH+](CC2CC2)CC1)[C@@H]1CC[N@@H+]1C1CCCCC1 ZINC000527946600 429825071 /nfs/dbraw/zinc/82/50/71/429825071.db2.gz HTWWGODESYKUGI-IBGZPJMESA-N 2 0 305.510 2.857 20 0 DFADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+][C@@H]2C[C@]2(C)OC(C)C)[C@@H](C)C1 ZINC000527998364 429833595 /nfs/dbraw/zinc/83/35/95/429833595.db2.gz MFGONXWPTUADEO-MLHJIOFPSA-N 2 0 312.498 2.669 20 0 DFADRP CCC[N@@H+]1CC[C@H](C[NH2+]C2CCC(c3nc(C)no3)CC2)C1 ZINC000368369022 429837948 /nfs/dbraw/zinc/83/79/48/429837948.db2.gz GPAGJAMACVJAJJ-QQFBHYJXSA-N 2 0 306.454 2.726 20 0 DFADRP CC[C@]1(C(=O)NC2CC[NH+](CC3CCCCC3)CC2)CCC[NH2+]1 ZINC000368362909 429837975 /nfs/dbraw/zinc/83/79/75/429837975.db2.gz SLXMFZPUDLGMMG-LJQANCHMSA-N 2 0 321.509 2.680 20 0 DFADRP c1ccc(C[N@H+]2CC[C@H]([NH2+]CC3COC3)[C@@H]3CCC[C@@H]32)cc1 ZINC000528032311 429840732 /nfs/dbraw/zinc/84/07/32/429840732.db2.gz ZXFQHWGXTQFKAD-FHWLQOOXSA-N 2 0 300.446 2.666 20 0 DFADRP C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@@H]1[NH2+]CCCC1CCOCC1 ZINC000368492626 429858061 /nfs/dbraw/zinc/85/80/61/429858061.db2.gz CYUADWLVFJYELE-NEWSRXKRSA-N 2 0 324.509 2.672 20 0 DFADRP CC1([NH+]2CCOCC2)CCN(c2cc[nH+]c3ccccc32)CC1 ZINC000528189740 429859760 /nfs/dbraw/zinc/85/97/60/429859760.db2.gz NQMDTZHCZUTOAK-UHFFFAOYSA-N 2 0 311.429 2.926 20 0 DFADRP C[C@H]([NH2+]Cc1ccc(CN2CC[NH+](C)CC2)cc1)[C@@H]1CC12CC2 ZINC000527848520 429809993 /nfs/dbraw/zinc/80/99/93/429809993.db2.gz KKOIUZJRQAVUEG-LPHOPBHVSA-N 2 0 313.489 2.712 20 0 DFADRP COc1cccnc1NCc1cccc(CN2CCOCC2)c1 ZINC000527852963 429810344 /nfs/dbraw/zinc/81/03/44/429810344.db2.gz QAWIVQCXXHJRKG-UHFFFAOYSA-N 2 0 313.401 2.535 20 0 DFADRP C[C@@H](CC[NH+](C)C)[NH2+][C@@H](C)c1cccc(N2CCOC2=O)c1 ZINC000493692580 429811217 /nfs/dbraw/zinc/81/12/17/429811217.db2.gz JLAOZUDTMHJTKA-KBPBESRZSA-N 2 0 305.422 2.634 20 0 DFADRP COC[C@H](C)[NH2+][C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000368235190 429815000 /nfs/dbraw/zinc/81/50/00/429815000.db2.gz NSRQHBXVQZPWFA-DSLXNQLJSA-N 2 0 302.462 2.912 20 0 DFADRP C[N@@H+]1CCCC[C@H]1CC[NH+]1C[C@@H](c2ccsc2)[C@H](CO)C1 ZINC000368625185 429880517 /nfs/dbraw/zinc/88/05/17/429880517.db2.gz QDEVFZWRDMJIJH-ULQDDVLXSA-N 2 0 308.491 2.630 20 0 DFADRP CC[N@@H+]1CC[C@H](C[NH2+][C@H](C)C[C@H](C)NC(=O)OC(C)(C)C)C1 ZINC000494555959 429880730 /nfs/dbraw/zinc/88/07/30/429880730.db2.gz SMMGORSVYHGWNK-QLFBSQMISA-N 2 0 313.486 2.610 20 0 DFADRP Cn1ccnc1[C@H]1CC[N@H+](Cc2cccnc2C(F)(F)F)C1 ZINC000528430901 429887440 /nfs/dbraw/zinc/88/74/40/429887440.db2.gz YBIHLLLIAVYZDG-LBPRGKRZSA-N 2 0 310.323 2.823 20 0 DFADRP CO[C@H](Cc1ccc(F)cc1)C[N@@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000528478083 429891726 /nfs/dbraw/zinc/89/17/26/429891726.db2.gz SOWLFRGYLSSENJ-QZTJIDSGSA-N 2 0 308.441 2.799 20 0 DFADRP CO[C@@H](Cc1ccc(F)cc1)C[N@@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000528512751 429894997 /nfs/dbraw/zinc/89/49/97/429894997.db2.gz NFUQFHJHFJHENZ-OALUTQOASA-N 2 0 320.452 2.801 20 0 DFADRP CC[N@H+](C)C[C@H](O)C[NH2+]C1(Cc2ccccc2)CCCCC1 ZINC000573101149 429926542 /nfs/dbraw/zinc/92/65/42/429926542.db2.gz INCNPXSZGNCGRZ-GOSISDBHSA-N 2 0 304.478 2.834 20 0 DFADRP C[C@H]1OCC[C@H]1C[NH+]1CCN(c2cc[nH+]c3ccccc32)CC1 ZINC000639642621 429927188 /nfs/dbraw/zinc/92/71/88/429927188.db2.gz VQEFOCNBWYARLO-CVEARBPZSA-N 2 0 311.429 2.782 20 0 DFADRP CCOCC(C)(C)C[NH2+][C@@H]1CC[N@H+](C[C@H]2CCCO2)C[C@@H]1C ZINC000368578434 429871766 /nfs/dbraw/zinc/87/17/66/429871766.db2.gz NAKJDTGBMUCHLP-GVDBMIGSSA-N 2 0 312.498 2.528 20 0 DFADRP Cc1ncc(C[NH2+]C[C@@]2(C)CCCN2Cc2ccccc2)cn1 ZINC000494480966 429874728 /nfs/dbraw/zinc/87/47/28/429874728.db2.gz BULLDEPXEPNADG-LJQANCHMSA-N 2 0 310.445 2.929 20 0 DFADRP C[C@H](C[C@@H](C)[NH2+]C[C@@H]1CCC[N@H+](C)C1)NC(=O)OC(C)(C)C ZINC000494467952 429875399 /nfs/dbraw/zinc/87/53/99/429875399.db2.gz GYHQOSIUILRGTA-KFWWJZLASA-N 2 0 313.486 2.610 20 0 DFADRP Clc1cnc(CN2CCCN(c3cc[nH+]cc3)CC2)s1 ZINC000639706301 429955003 /nfs/dbraw/zinc/95/50/03/429955003.db2.gz XQIWNMBHJGDZCF-UHFFFAOYSA-N 2 0 308.838 2.904 20 0 DFADRP C[N@H+](CCN1CC[NH+](C)[C@H](C(C)(C)C)C1)Cc1ccccc1 ZINC000639744914 429964817 /nfs/dbraw/zinc/96/48/17/429964817.db2.gz APIQXNOYWJHEIU-SFHVURJKSA-N 2 0 303.494 2.781 20 0 DFADRP c1ccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@H]([NH2+]CC2CC[NH2+]CC2)C3)cc1 ZINC000573593201 429964987 /nfs/dbraw/zinc/96/49/87/429964987.db2.gz IVJAGLGCINQKCB-OWZKRDHZSA-N 3 0 313.489 2.771 20 0 DFADRP C[NH+]1CCC2(CC[N@H+](Cc3cccc4c3CCOC4)C2)CC1 ZINC000639759013 429972830 /nfs/dbraw/zinc/97/28/30/429972830.db2.gz ZSHKFQAQDTUERC-UHFFFAOYSA-N 2 0 300.446 2.677 20 0 DFADRP CC[C@@H](OCCN1CCC[C@@](O)(C[NH+](C)C)C1)c1ccccc1 ZINC000639764703 429973358 /nfs/dbraw/zinc/97/33/58/429973358.db2.gz WPARCHNTQFMWHH-RTBURBONSA-N 2 0 320.477 2.543 20 0 DFADRP C[NH+](C)C[C@@]1(O)CCCN([C@@H]2CCCc3ccc(F)cc32)C1 ZINC000639766022 429973481 /nfs/dbraw/zinc/97/34/81/429973481.db2.gz LGAYSEAPYKQRIP-MSOLQXFVSA-N 2 0 306.425 2.592 20 0 DFADRP COc1ccc(C[N@H+](C)Cc2ccc3c(c2)C[NH2+]CC3)cc1O ZINC000573689583 429973740 /nfs/dbraw/zinc/97/37/40/429973740.db2.gz MKWBNQKCKOCXMI-UHFFFAOYSA-N 2 0 312.413 2.679 20 0 DFADRP CCc1[nH+]c2ccccc2c(N2CCN3CCOC[C@H]3C2)c1C ZINC000557470678 429940352 /nfs/dbraw/zinc/94/03/52/429940352.db2.gz XHWDCDXNCBMXPC-OAHLLOKOSA-N 2 0 311.429 2.626 20 0 DFADRP CO[C@H](C[N@@H+]1CCCN(c2cc[nH+]cc2)CC1)C1CCCC1 ZINC000639683686 429946116 /nfs/dbraw/zinc/94/61/16/429946116.db2.gz LQHMMABBBHUESS-GOSISDBHSA-N 2 0 303.450 2.799 20 0 DFADRP Cc1ccc(C[NH+]2CC[C@H](C[N@@H+](C)CCC[C@@H](C)O)C2)s1 ZINC000574330390 430031159 /nfs/dbraw/zinc/03/11/59/430031159.db2.gz UDNOKAHOGKJFAV-GDBMZVCRSA-N 2 0 310.507 2.971 20 0 DFADRP CN(CC[N@H+](C)Cc1ccc2cc[nH]c2c1)C1CC[NH+](C)CC1 ZINC000529567983 430031770 /nfs/dbraw/zinc/03/17/70/430031770.db2.gz YRGCXLCAYMJEAP-UHFFFAOYSA-N 2 0 314.477 2.626 20 0 DFADRP COCC[N@H+](C)CC[C@H](N[C@@H]1CCC[C@H]([NH3+])C1)c1ccccc1 ZINC000574415137 430039784 /nfs/dbraw/zinc/03/97/84/430039784.db2.gz SYQLFIOYRAXBRH-OTWHNJEPSA-N 2 0 319.493 2.556 20 0 DFADRP CCC1([NH+]2CCCC2)CCN([C@@H]2CCCN(C(C)C)C2=O)CC1 ZINC000639986304 430045675 /nfs/dbraw/zinc/04/56/75/430045675.db2.gz LQSMWCLDAALODM-QGZVFWFLSA-N 2 0 321.509 2.726 20 0 DFADRP CCC1([NH+]2CCCC2)CCN([C@@H](C)C(=O)NCCC(C)C)CC1 ZINC000639987405 430045886 /nfs/dbraw/zinc/04/58/86/430045886.db2.gz DQMALJYPENOMJO-KRWDZBQOSA-N 2 0 323.525 2.878 20 0 DFADRP CCC1([NH+]2CCCC2)CCN(C[C@@](C)(O)C(F)(F)F)CC1 ZINC000639986411 430046037 /nfs/dbraw/zinc/04/60/37/430046037.db2.gz MCLXVUTVGWRFPI-CYBMUJFWSA-N 2 0 308.388 2.640 20 0 DFADRP CCC1([NH+]2CCCC2)CCN([C@H]2CCCN(C(C)C)C2=O)CC1 ZINC000639986303 430046437 /nfs/dbraw/zinc/04/64/37/430046437.db2.gz LQSMWCLDAALODM-KRWDZBQOSA-N 2 0 321.509 2.726 20 0 DFADRP C[C@@H](O)[C@@H](C)[NH2+]Cc1ccccc1C[N@H+](C)Cc1ccco1 ZINC000573835864 429987999 /nfs/dbraw/zinc/98/79/99/429987999.db2.gz YPDIQYFIASDNRT-HUUCEWRRSA-N 2 0 302.418 2.771 20 0 DFADRP CC[NH+]1CCC(N[C@@H]2CC[N@H+](Cc3ccc(C)cc3)C2)CC1 ZINC000631748452 429989003 /nfs/dbraw/zinc/98/90/03/429989003.db2.gz GFFBZCZIKAUXBX-LJQANCHMSA-N 2 0 301.478 2.643 20 0 DFADRP C[C@H]([NH2+][C@@H]1CCN(c2ccc(Cl)cc2)C1)[C@H]1CCC[NH2+]C1 ZINC000573912452 429993387 /nfs/dbraw/zinc/99/33/87/429993387.db2.gz ROADHLSFWQJURV-OFQRWUPVSA-N 2 0 307.869 2.896 20 0 DFADRP CC[NH+]1CCN(Cc2ccc(C[NH2+]CC3(C)CC3)cc2)CC1 ZINC000558961276 429995420 /nfs/dbraw/zinc/99/54/20/429995420.db2.gz AABGTUGFQRSPDR-UHFFFAOYSA-N 2 0 301.478 2.714 20 0 DFADRP C[C@@H]1CCCC[N@@H+]1CCCC[NH2+]C[C@H](O)Cc1ccccc1 ZINC000574032809 430004826 /nfs/dbraw/zinc/00/48/26/430004826.db2.gz WSFHGLZNPGHOIC-IEBWSBKVSA-N 2 0 304.478 2.834 20 0 DFADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]CC1(CO)CC(c2ccccc2)C1 ZINC000574268970 430026976 /nfs/dbraw/zinc/02/69/76/430026976.db2.gz OZWVHLIOUISVGZ-BMHOQUIDSA-N 2 0 302.462 2.650 20 0 DFADRP COc1ccc2c(c1)C[C@H]([NH2+][C@@H]1CC[NH2+]CC(C)(C)C1)CC2 ZINC000634733618 430092537 /nfs/dbraw/zinc/09/25/37/430092537.db2.gz JRADOPJZRLHDGF-IAGOWNOFSA-N 2 0 302.462 2.920 20 0 DFADRP C[C@H](CC(=O)N1CCCCCC1)[NH2+][C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000634732497 430094028 /nfs/dbraw/zinc/09/40/28/430094028.db2.gz HRGVPLKJRSZALL-HZPDHXFCSA-N 2 0 309.498 2.535 20 0 DFADRP COc1cccc2c1CC[C@@H]([NH2+]C[C@@H]1CC[N@@H+](C(C)C)C1)C2 ZINC000561976896 430102594 /nfs/dbraw/zinc/10/25/94/430102594.db2.gz VVDHWBYHCRHFFB-DOTOQJQBSA-N 2 0 302.462 2.872 20 0 DFADRP CO[C@H](Cc1ccc(F)cc1)C[N@@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000530220930 430106083 /nfs/dbraw/zinc/10/60/83/430106083.db2.gz KQQYHZKVSOUBDV-BHIYHBOVSA-N 2 0 320.452 2.847 20 0 DFADRP Fc1cccc(CCC[NH+]2CCC(CO[C@@H]3CC[NH2+]C3)CC2)c1 ZINC000530240005 430107930 /nfs/dbraw/zinc/10/79/30/430107930.db2.gz JJCPDFLMDGTTRV-LJQANCHMSA-N 2 0 320.452 2.849 20 0 DFADRP Cc1cc(C)c(C[N@@H+]2C[C@@H](CO)[C@H](C(F)(F)F)C2)c(C)n1 ZINC000640045958 430069915 /nfs/dbraw/zinc/06/99/15/430069915.db2.gz OQHDSMDVJBAXAM-GXTWGEPZSA-N 2 0 302.340 2.609 20 0 DFADRP CC(C)[C@@H]([NH2+]CCOCC[NH+](C)C)c1ccc(F)cc1F ZINC000634683335 430075205 /nfs/dbraw/zinc/07/52/05/430075205.db2.gz OYSXQJFUYQSINR-MRXNPFEDSA-N 2 0 300.393 2.830 20 0 DFADRP C[NH+](C)CCCCC(=O)Nc1cccc(CC[N@H+](C)C2CC2)c1 ZINC000561192082 430079910 /nfs/dbraw/zinc/07/99/10/430079910.db2.gz LYNPFKFQJRKSSC-UHFFFAOYSA-N 2 0 317.477 2.994 20 0 DFADRP C[NH+](C)Cc1ccc(C[NH2+]C[C@H](O)CC2CCCC2)cc1F ZINC000580947575 430164369 /nfs/dbraw/zinc/16/43/69/430164369.db2.gz WPFRKVIALDFWRD-QGZVFWFLSA-N 2 0 308.441 2.918 20 0 DFADRP C[C@@H]1C[C@H]([NH3+])CC[N@@H+]1Cc1ccc(OCc2ccncc2)cc1 ZINC000581019690 430170865 /nfs/dbraw/zinc/17/08/65/430170865.db2.gz MLMOCFZKAKOHRJ-CRAIPNDOSA-N 2 0 311.429 2.972 20 0 DFADRP CN(CCC[NH3+])C(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC000562748602 430176253 /nfs/dbraw/zinc/17/62/53/430176253.db2.gz KFYQSCWUZQOEGG-UHFFFAOYSA-N 2 0 318.465 2.528 20 0 DFADRP C([C@@H]1CCOC1)[NH+]1CCC([NH2+]C2CCC3(CCCO3)CC2)CC1 ZINC000562302986 430117112 /nfs/dbraw/zinc/11/71/12/430117112.db2.gz FQOBENVFUXUODA-MUYFXNHWSA-N 2 0 322.493 2.569 20 0 DFADRP Cc1c([C@H](C)NC[C@H]2CCC[N@H+](C)C2)nnn1-c1ccccc1 ZINC000562316865 430119169 /nfs/dbraw/zinc/11/91/69/430119169.db2.gz HESQUBIKQUBMSC-GOEBONIOSA-N 2 0 313.449 2.568 20 0 DFADRP C[NH2+]Cc1ccccc1NC(=O)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000637807242 430134721 /nfs/dbraw/zinc/13/47/21/430134721.db2.gz FEQKKBMJTGDVDE-SFHVURJKSA-N 2 0 323.440 2.867 20 0 DFADRP CC[N@H+](Cc1ccc(C(=O)NCC2CC[NH2+]CC2)cc1)C(C)C ZINC000580562584 430135308 /nfs/dbraw/zinc/13/53/08/430135308.db2.gz QEDVWGPSTOPEIL-UHFFFAOYSA-N 2 0 317.477 2.646 20 0 DFADRP OCC[N@H+](Cc1ccc2c(c1)C[NH2+]CC2)[C@H]1CCc2ccccc21 ZINC000580654764 430141797 /nfs/dbraw/zinc/14/17/97/430141797.db2.gz YQSMGACTNYYBBM-NRFANRHFSA-N 2 0 322.452 2.814 20 0 DFADRP OCC[N@H+](Cc1ccc2c(c1)C[NH2+]CC2)[C@@H]1CCc2ccccc21 ZINC000580654767 430142951 /nfs/dbraw/zinc/14/29/51/430142951.db2.gz YQSMGACTNYYBBM-OAQYLSRUSA-N 2 0 322.452 2.814 20 0 DFADRP C[C@H]([NH2+]CC[C@H]1CCC[N@H+](C)C1)c1ccc2c(c1)CCC(=O)N2 ZINC000580702064 430145449 /nfs/dbraw/zinc/14/54/49/430145449.db2.gz VVNRIMOUAKWSEL-LSDHHAIUSA-N 2 0 315.461 2.954 20 0 DFADRP C[NH+]1CCC(N2CC[C@@H]([NH2+][C@@H]3CCc4cc(F)ccc43)C2)CC1 ZINC000370625184 277027793 /nfs/dbraw/zinc/02/77/93/277027793.db2.gz VYWRFVYTIRCLFI-VQIMIIECSA-N 2 0 317.452 2.571 20 0 DFADRP C[C@H]1CCCC[N@@H+]1CCC1CCN(CC23CC(C2)C[NH2+]3)CC1 ZINC000634993209 430185082 /nfs/dbraw/zinc/18/50/82/430185082.db2.gz NMCBPMNLMZLVRL-IVMQYODDSA-N 2 0 305.510 2.715 20 0 DFADRP C[N@@H+]1CCC[C@@H](N2CC[NH+]([C@@H]3CCCc4ccccc43)CC2)C1 ZINC000369353293 277053703 /nfs/dbraw/zinc/05/37/03/277053703.db2.gz BXGYTPRHJFDRHS-UYAOXDASSA-N 2 0 313.489 2.776 20 0 DFADRP C[N@@H+]1CCC[C@@H]2C[NH+](C[C@H](O)c3ccc(Cl)cc3)CC[C@@H]21 ZINC000162822920 277068668 /nfs/dbraw/zinc/06/86/68/277068668.db2.gz JKORVIJPGZBFLN-PVAVHDDUSA-N 2 0 308.853 2.790 20 0 DFADRP C[C@@H]1C[C@@H]([NH2+][C@H]2CC[C@H](C[NH3+])CC2)CN1Cc1ccccc1 ZINC000635007328 430194506 /nfs/dbraw/zinc/19/45/06/430194506.db2.gz PFHMUQSJUFQADX-PSBWJHGTSA-N 2 0 301.478 2.757 20 0 DFADRP C[C@H](CCCC[NH3+])[NH2+]C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000635004607 430194623 /nfs/dbraw/zinc/19/46/23/430194623.db2.gz PVSBKVMHAZPYTN-LMMKCTJWSA-N 3 0 303.494 2.862 20 0 DFADRP Cc1c([C@@H](C)[NH2+][C@H]2CC[C@H](C[NH3+])CC2)nnn1-c1ccccc1 ZINC000635007542 430194733 /nfs/dbraw/zinc/19/47/33/430194733.db2.gz QYOZSWFFWCLWBU-FVQBIDKESA-N 2 0 313.449 2.744 20 0 DFADRP c1ccc(C[NH+]2CCCCCC2)c(CNCC23CC(C2)C[NH2+]3)c1 ZINC000634995829 430188015 /nfs/dbraw/zinc/18/80/15/430188015.db2.gz PUXIXZRGVRSADL-UHFFFAOYSA-N 2 0 313.489 2.904 20 0 DFADRP C[C@H]1C[N@H+](Cc2cnn(-c3ccc(Cl)cc3)c2)C[C@@H]1C[NH3+] ZINC000634998644 430188581 /nfs/dbraw/zinc/18/85/81/430188581.db2.gz IZJLICAZIYMJNS-JSGCOSHPSA-N 2 0 304.825 2.552 20 0 DFADRP C[N@@H+]1CCN(CC[NH2+][C@@H]2CCc3c2c(F)ccc3F)CC1(C)C ZINC000282267044 277106452 /nfs/dbraw/zinc/10/64/52/277106452.db2.gz KFPQCNHLHBWFBV-MRXNPFEDSA-N 2 0 323.431 2.568 20 0 DFADRP C[N@@H+]1CCN(CC[NH2+][C@H]2CC[C@@H](c3ccccc3)C2)CC1(C)C ZINC000282443839 277106572 /nfs/dbraw/zinc/10/65/72/277106572.db2.gz SBNKORSFLRBVTM-MOPGFXCFSA-N 2 0 315.505 2.938 20 0 DFADRP Cc1nn(-c2ccc(F)cc2)c(C)c1C[N@H+]1C[C@H](C)[C@@H](C[NH3+])C1 ZINC000634998312 430189804 /nfs/dbraw/zinc/18/98/04/430189804.db2.gz DBLPUJCUPODLMY-WFASDCNBSA-N 2 0 316.424 2.655 20 0 DFADRP Cc1nn(-c2ccc(Cl)cc2)cc1C[N@H+]1C[C@H](C)[C@@H](C[NH3+])C1 ZINC000634999002 430190768 /nfs/dbraw/zinc/19/07/68/430190768.db2.gz OLHLFSMCYSJXIS-JSGCOSHPSA-N 2 0 318.852 2.861 20 0 DFADRP C[C@@H]([NH2+][C@@H]1CCO[C@H]1c1ccc(F)c(F)c1)[C@H]1CCC[NH2+]C1 ZINC000635002989 430190983 /nfs/dbraw/zinc/19/09/83/430190983.db2.gz DCOLKZZPPLVDKN-KVPRVUCYSA-N 2 0 310.388 2.773 20 0 DFADRP C[N@H+](CCCC[NH+]1CCCCC1)CC(=O)NCCC(C)(C)C ZINC000640533985 430190977 /nfs/dbraw/zinc/19/09/77/430190977.db2.gz YWDZEVNXHCPXBM-UHFFFAOYSA-N 2 0 311.514 2.737 20 0 DFADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1CN[C@H]1CCC[C@@H]([NH3+])C1 ZINC000635002971 430191399 /nfs/dbraw/zinc/19/13/99/430191399.db2.gz CSRKHEKPSLYECV-LULLPPNCSA-N 2 0 301.478 2.614 20 0 DFADRP C[N@H+](CCCC[NH+]1CCCCC1)CC(=O)NC1CCCCC1 ZINC000640530980 430192002 /nfs/dbraw/zinc/19/20/02/430192002.db2.gz KKENHFQZQIXRDX-UHFFFAOYSA-N 2 0 309.498 2.633 20 0 DFADRP C[C@@H](N[C@@H](C[NH+](C)C)c1cccc(C(F)(F)F)c1)C1C[NH2+]C1 ZINC000635002978 430192034 /nfs/dbraw/zinc/19/20/34/430192034.db2.gz CVHMHLLSOFJXNY-ABAIWWIYSA-N 2 0 315.383 2.506 20 0 DFADRP C[N@H+](CCCC[NH+]1CCCCC1)CCC(=O)NC1CCCC1 ZINC000640530987 430192513 /nfs/dbraw/zinc/19/25/13/430192513.db2.gz KULMCTDTPNBOSK-UHFFFAOYSA-N 2 0 309.498 2.633 20 0 DFADRP C[C@@H](C[C@H]1CCCCC[NH2+]1)[NH2+]Cc1cccc2c1CC[NH2+]C2 ZINC000635006094 430193429 /nfs/dbraw/zinc/19/34/29/430193429.db2.gz XLSAUZYLLUMSCT-MAUKXSAKSA-N 3 0 301.478 2.733 20 0 DFADRP CO[C@@H]1[C@H](C)[C@H]([NH2+]CC[C@@H]([NH3+])Cc2ccccc2)C12CCC2 ZINC000635007754 430193935 /nfs/dbraw/zinc/19/39/35/430193935.db2.gz PGCBFUGWLPISMX-NRSFXHEJSA-N 2 0 302.462 2.740 20 0 DFADRP Fc1ccc2c(c1)[C@H](Nc1cc(N3CC[NH2+]CC3)cc[nH+]1)CC2 ZINC000635008223 430195977 /nfs/dbraw/zinc/19/59/77/430195977.db2.gz IFXGRCMFNCKEMB-QGZVFWFLSA-N 2 0 312.392 2.730 20 0 DFADRP CCC[C@@H](Nc1cc(N2CC[NH2+]CC2)cc[nH+]1)c1cccnc1 ZINC000635008342 430196293 /nfs/dbraw/zinc/19/62/93/430196293.db2.gz JCUSBESLOVBARM-QGZVFWFLSA-N 2 0 311.433 2.840 20 0 DFADRP Cc1ccc(CN2CC[C@H]([NH2+][C@@H]3CCCCC[C@H]3[NH3+])C2)cc1 ZINC000635013012 430198008 /nfs/dbraw/zinc/19/80/08/430198008.db2.gz PVLLVDRAGONFQS-IPMKNSEASA-N 2 0 301.478 2.819 20 0 DFADRP Cc1ccc(CN2CC[C@H]([NH2+][C@@H]3CCCC[C@@H]3C[NH3+])C2)cc1 ZINC000635013686 430198326 /nfs/dbraw/zinc/19/83/26/430198326.db2.gz VCKWLSNCPAEJGK-CEXWTWQISA-N 2 0 301.478 2.676 20 0 DFADRP CC(C)(C)n1cc(C[N@@H+]2C[C@@H](C[NH3+])[C@H](c3ccccc3)C2)cn1 ZINC000261639111 277284646 /nfs/dbraw/zinc/28/46/46/277284646.db2.gz GBLWKAQVTKAQOF-MSOLQXFVSA-N 2 0 312.461 2.812 20 0 DFADRP Cc1ccc(C[NH+]2CC[C@@H](C[N@H+](C)C[C@H]3C[C@@H](O)C3)C2)s1 ZINC000581432293 430208194 /nfs/dbraw/zinc/20/81/94/430208194.db2.gz QPHCKJDTZSNVIB-HRCADAONSA-N 2 0 308.491 2.581 20 0 DFADRP COc1cccc(C)c1C[N@H+](C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000638046757 430218374 /nfs/dbraw/zinc/21/83/74/430218374.db2.gz WVCOAFWHBGRINK-INIZCTEOSA-N 2 0 320.477 2.528 20 0 DFADRP CC[C@@](C)(C[N@@H+]1CCCN(Cc2nccn2C(C)C)CC1)OC ZINC000638047132 430218761 /nfs/dbraw/zinc/21/87/61/430218761.db2.gz ZBPIPLTWNUOBCB-SFHVURJKSA-N 2 0 322.497 2.787 20 0 DFADRP COc1cc(C)c(C[N@@H+]2CCC[C@@H]3C[NH+](C)CC[C@@H]32)cc1OC ZINC000581575144 430220567 /nfs/dbraw/zinc/22/05/67/430220567.db2.gz DFAFNMGMKLNLBC-WBVHZDCISA-N 2 0 318.461 2.928 20 0 DFADRP CC[NH2+][C@H](C)C(=O)Nc1ccc(C[N@@H+]2CCCC[C@H]2C)cc1 ZINC000638061986 430224702 /nfs/dbraw/zinc/22/47/02/430224702.db2.gz BUKNDYVJTWSQRV-HUUCEWRRSA-N 2 0 303.450 2.998 20 0 DFADRP C[N@H+](CC1CC[NH+](C)CC1)[C@H](c1nnc[nH]1)C1CCCCC1 ZINC000638029118 430213043 /nfs/dbraw/zinc/21/30/43/430213043.db2.gz LYIPEUFUHLRUSY-INIZCTEOSA-N 2 0 305.470 2.700 20 0 DFADRP C(C[NH+]1CCCC1)OC1CC[NH+](CC2CCSCC2)CC1 ZINC000638126036 430243283 /nfs/dbraw/zinc/24/32/83/430243283.db2.gz ONSXTDHNQDMKDR-UHFFFAOYSA-N 2 0 312.523 2.706 20 0 DFADRP COc1cncc(C[N@@H+]2CC[C@H](C)[C@H](n3ccnc3)C2)c1C ZINC000638173283 430259159 /nfs/dbraw/zinc/25/91/59/430259159.db2.gz VFJPKOAUELXITG-XJKSGUPXSA-N 2 0 300.406 2.678 20 0 DFADRP C[N@@H+]1CCC[C@@H]2C[NH+](C[C@H]3CCN(c4ccccc4)C3)CC[C@H]21 ZINC000638176457 430262001 /nfs/dbraw/zinc/26/20/01/430262001.db2.gz DTKQPCGIDTUCIA-QWFCFKBJSA-N 2 0 313.489 2.929 20 0 DFADRP [NH3+]Cc1ccc(NC(=O)[C@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000638174175 430262201 /nfs/dbraw/zinc/26/22/01/430262201.db2.gz KTTDYVRWSGPNMZ-KRWDZBQOSA-N 2 0 309.413 2.606 20 0 DFADRP COc1ccccc1[C@H](C[NH2+][C@H]1CCC[C@@H]([NH3+])C1)N1CCCC1 ZINC000566481871 430265500 /nfs/dbraw/zinc/26/55/00/430265500.db2.gz GXWBUSJBPBQJMJ-RYRKJORJSA-N 2 0 317.477 2.692 20 0 DFADRP CC(C)CC[C@@H]([NH3+])C(=O)N[C@H](C[NH3+])c1ccc2ccccc2c1 ZINC000638205367 430273419 /nfs/dbraw/zinc/27/34/19/430273419.db2.gz PLVNJFSVNQGHFT-QZTJIDSGSA-N 2 0 313.445 2.719 20 0 DFADRP C[N@@H+]1CCC[C@@H](CC[NH2+]C2CCC(O)(C(F)(F)F)CC2)C1 ZINC000582168815 430273704 /nfs/dbraw/zinc/27/37/04/430273704.db2.gz UMRIIOXQHOXXLE-HSBZDZAISA-N 2 0 308.388 2.544 20 0 DFADRP C[C@H]([NH2+]CCC(=O)Nc1cc(F)cc(F)c1)C1=CC[N@H+](C)CC1 ZINC000581603651 430225687 /nfs/dbraw/zinc/22/56/87/430225687.db2.gz LENNIKWKHPRJIG-LBPRGKRZSA-N 2 0 323.387 2.533 20 0 DFADRP COc1cc(C)c(C[C@@H](C)[NH2+]C[C@H]2CCC[N@H+](C)C2)cc1OC ZINC000581654652 430229315 /nfs/dbraw/zinc/22/93/15/430229315.db2.gz IRHQMWNAYNYQGL-HZPDHXFCSA-N 2 0 320.477 2.875 20 0 DFADRP CC(C)CC[C@H]([NH3+])C(=O)N1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000638086963 430229579 /nfs/dbraw/zinc/22/95/79/430229579.db2.gz YASNSIYSGGKGFA-ROUUACIJSA-N 2 0 323.525 2.720 20 0 DFADRP CC(C)CC[C@H]([NH3+])C(=O)N[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000638083895 430230500 /nfs/dbraw/zinc/23/05/00/430230500.db2.gz OWMQUSLYEAEOGA-NJAFHUGGSA-N 2 0 317.477 2.702 20 0 DFADRP CC1=C[C@H](C)C[C@H](C[NH2+]C(C)(C)CCN2CC[NH+](C)CC2)C1 ZINC000581695985 430231689 /nfs/dbraw/zinc/23/16/89/430231689.db2.gz NJACJYWGCBGDJE-WMZOPIPTSA-N 2 0 307.526 2.985 20 0 DFADRP C[C@H]([NH2+]CCc1cncn1C)c1ncc(-c2ccccc2)n1C ZINC000581708518 430234805 /nfs/dbraw/zinc/23/48/05/430234805.db2.gz KNNPYVXCZAJLCM-AWEZNQCLSA-N 2 0 309.417 2.714 20 0 DFADRP Cc1ccc([C@@H](CNC(=O)[C@H]([NH3+])CCC(C)C)[NH+]2CCCC2)o1 ZINC000638097080 430234902 /nfs/dbraw/zinc/23/49/02/430234902.db2.gz VFEYQKRZILOYSI-HZPDHXFCSA-N 2 0 321.465 2.605 20 0 DFADRP CC[N@H+](C)C[C@@H](O)C[NH+]1CCC[C@H]1CCCc1ccccc1 ZINC000581733946 430236298 /nfs/dbraw/zinc/23/62/98/430236298.db2.gz QUSDOZXPQKIZMA-RTBURBONSA-N 2 0 304.478 2.786 20 0 DFADRP CC(C)[NH2+]CC(=O)Nc1ccc(C[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000581737832 430238465 /nfs/dbraw/zinc/23/84/65/430238465.db2.gz UDAZUNLBIZDFIS-HNNXBMFYSA-N 2 0 303.450 2.998 20 0 DFADRP C[C@H]1C[C@H](N(C)Cc2ccccc2OCCCCO)CC[N@@H+]1C ZINC000638118321 430241016 /nfs/dbraw/zinc/24/10/16/430241016.db2.gz XLCYVQULJSKMAW-FUHWJXTLSA-N 2 0 320.477 2.752 20 0 DFADRP OCc1ccc(C[NH2+]C2CC[NH+](CC3CCCC3)CC2)cc1 ZINC000638455046 430348885 /nfs/dbraw/zinc/34/88/85/430348885.db2.gz RCTUAJLQTPGZIY-UHFFFAOYSA-N 2 0 302.462 2.923 20 0 DFADRP C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)CC[C@H]([NH3+])c1ccccc1 ZINC000567802046 430290024 /nfs/dbraw/zinc/29/00/24/430290024.db2.gz REEXJIGTTFKAKH-JZXOWHBKSA-N 2 0 317.477 2.846 20 0 DFADRP CC(C)CC[C@H]([NH3+])C(=O)N1CCC[C@H]([NH+]2[C@@H](C)CC[C@@H]2C)C1 ZINC000638273034 430290330 /nfs/dbraw/zinc/29/03/30/430290330.db2.gz GOZLBLUCXQBECY-QAETUUGQSA-N 2 0 309.498 2.614 20 0 DFADRP CC[N@H+](CCC1CC[NH+](C[C@]2(OC)CCOC2)CC1)CC1CC1 ZINC000638277031 430292450 /nfs/dbraw/zinc/29/24/50/430292450.db2.gz XASNHVSKEVURQF-LJQANCHMSA-N 2 0 324.509 2.626 20 0 DFADRP c1cn(CC[NH2+][C@H]2CCN(C3CC3)[C@@H](c3ccccc3)C2)cn1 ZINC000638298399 430296665 /nfs/dbraw/zinc/29/66/65/430296665.db2.gz OYXDTVNQGZGLNS-PKOBYXMFSA-N 3 0 310.445 2.841 20 0 DFADRP CO[C@@H](C[NH2+]CCC[N@H+](C)C1CCCCC1)C1CCOCC1 ZINC000638300901 430297482 /nfs/dbraw/zinc/29/74/82/430297482.db2.gz LAOHVWYFXWJSHX-SFHVURJKSA-N 2 0 312.498 2.672 20 0 DFADRP CC[NH+]1CCN([C@H](C)C[NH2+]Cc2ccc(C)cc2Cl)CC1 ZINC000568030191 430307152 /nfs/dbraw/zinc/30/71/52/430307152.db2.gz LUYJCSLDPBZHOX-OAHLLOKOSA-N 2 0 309.885 2.764 20 0 DFADRP CC(C)(O)C[NH+]1CCC([NH2+]CC2(c3ccccc3)CCC2)CC1 ZINC000638344025 430310231 /nfs/dbraw/zinc/31/02/31/430310231.db2.gz RGMQQMDOGLOJKK-UHFFFAOYSA-N 2 0 316.489 2.933 20 0 DFADRP C[NH+]1CCN(C(C)(C)C[NH2+]C[C@@]2(C)C[C@@H]2c2ccccc2)CC1 ZINC000638349468 430312207 /nfs/dbraw/zinc/31/22/07/430312207.db2.gz NBHHTIHVUXYCQL-UYAOXDASSA-N 2 0 315.505 2.796 20 0 DFADRP CN1CC[NH+](CCCC[NH2+]C[C@@]2(C)C[C@@H]2c2ccccc2)CC1 ZINC000638359282 430315841 /nfs/dbraw/zinc/31/58/41/430315841.db2.gz INHGEWHTPRLULK-WOJBJXKFSA-N 2 0 315.505 2.797 20 0 DFADRP CCN1CC[NH+](CCCC[NH2+]Cc2c(C)cccc2OC)CC1 ZINC000638361182 430317694 /nfs/dbraw/zinc/31/76/94/430317694.db2.gz YXCAFXVQNYPACD-UHFFFAOYSA-N 2 0 319.493 2.511 20 0 DFADRP C[C@H]1C[C@H](C)C[NH+](CCCC[NH2+]CCCc2cnn(C)c2)C1 ZINC000638368576 430318223 /nfs/dbraw/zinc/31/82/23/430318223.db2.gz ASJNYCKFUSGTNZ-IRXDYDNUSA-N 2 0 306.498 2.700 20 0 DFADRP C[C@H](C[C@@H]1CCCC(=O)N1)[NH2+]CCCC[N@@H+]1CCC[C@@H](C)C1 ZINC000638367033 430318639 /nfs/dbraw/zinc/31/86/39/430318639.db2.gz RQGJMPKPOLJOML-ZACQAIPSSA-N 2 0 309.498 2.535 20 0 DFADRP C[C@@H](C[C@@H]1CCCC(=O)N1)[NH2+]CCCC[N@@H+]1CCC[C@@H](C)C1 ZINC000638367029 430318792 /nfs/dbraw/zinc/31/87/92/430318792.db2.gz RQGJMPKPOLJOML-IKGGRYGDSA-N 2 0 309.498 2.535 20 0 DFADRP C[C@@H](C[C@H]1CCCC(=O)N1)[NH2+]CCCC[NH+]1CCC(C)CC1 ZINC000638372517 430319666 /nfs/dbraw/zinc/31/96/66/430319666.db2.gz XFDBGQHTSNLOIO-DLBZAZTESA-N 2 0 309.498 2.535 20 0 DFADRP CCc1ccc([C@@H]2C[C@@H](C)CCN2C[C@H](O)C[N@@H+](C)CC)o1 ZINC000568164076 430322233 /nfs/dbraw/zinc/32/22/33/430322233.db2.gz IMQYYUAJBUCKFR-UXLLHSPISA-N 2 0 308.466 2.928 20 0 DFADRP CC[NH+]1CCC(C[NH2+]Cc2ccc(OC)c(OC)c2C)CC1 ZINC000582689379 430322628 /nfs/dbraw/zinc/32/26/28/430322628.db2.gz OQZRPJVNLLATBY-UHFFFAOYSA-N 2 0 306.450 2.834 20 0 DFADRP CC(C)N(C)C(=O)[C@@H](C)[NH+]1CCC(C[NH+]2CCC(C)CC2)CC1 ZINC000363308541 277536976 /nfs/dbraw/zinc/53/69/76/277536976.db2.gz GAZYXBKTGSXSLO-QGZVFWFLSA-N 2 0 323.525 2.686 20 0 DFADRP CCN(Cc1ccc2ccccc2c1)C[C@H](O)C[N@H+](C)CC ZINC000568168304 430324088 /nfs/dbraw/zinc/32/40/88/430324088.db2.gz CXTKZLSGPCHRHB-LJQANCHMSA-N 2 0 300.446 2.974 20 0 DFADRP CC(C)[N@@H+]1CCCC[C@H]1Cn1cc(-c2cccc(C[NH3+])c2)nn1 ZINC000641170107 430350970 /nfs/dbraw/zinc/35/09/70/430350970.db2.gz WBANKFLGRCZZBX-KRWDZBQOSA-N 2 0 313.449 2.667 20 0 DFADRP CCC[N@H+](CC(=O)NC[C@H](c1ccccc1)[NH+](C)C)C(C)C ZINC000568183365 430327441 /nfs/dbraw/zinc/32/74/41/430327441.db2.gz RPHVJBHKCGWKGP-QGZVFWFLSA-N 2 0 305.466 2.526 20 0 DFADRP C[C@@]1(C[NH2+]C[C@@H](O)C[NH+]2CCCCC2)C[C@H]1c1ccccc1 ZINC000638410727 430333686 /nfs/dbraw/zinc/33/36/86/430333686.db2.gz AZTRGSDCGODONB-QYZOEREBSA-N 2 0 302.462 2.617 20 0 DFADRP C[C@@H](CCc1n[nH]c2ccccc21)[NH2+]CC1(C)CC[NH2+]CC1 ZINC000568222019 430335430 /nfs/dbraw/zinc/33/54/30/430335430.db2.gz PCHXDXDKQYBTLX-AWEZNQCLSA-N 2 0 300.450 2.863 20 0 DFADRP CCN(CC[NH2+]C1CC[NH+](CC2CC2)CC1)CCC(F)(F)F ZINC000582881290 430343298 /nfs/dbraw/zinc/34/32/98/430343298.db2.gz BWWCVULYKCTORO-UHFFFAOYSA-N 2 0 321.431 2.725 20 0 DFADRP CC(C)[N@@H+]1CCCC[C@@H]1Cn1cc(C[NH2+]C2CCCC2)nn1 ZINC000641168384 430351498 /nfs/dbraw/zinc/35/14/98/430351498.db2.gz DDXSJFRCIRXVKJ-QGZVFWFLSA-N 2 0 305.470 2.573 20 0 DFADRP C[C@@H]([NH2+]CC1(N2CCCCC2)CC[NH+](C)CC1)[C@@H]1CC1(F)F ZINC000638693479 430411519 /nfs/dbraw/zinc/41/15/19/430411519.db2.gz UFFHAYVXOAUCCW-CABCVRRESA-N 2 0 315.452 2.570 20 0 DFADRP Cc1ccc(O[C@@H](C)C[NH2+]C2CC[NH+](CC(C)(C)O)CC2)cc1 ZINC000638701488 430414186 /nfs/dbraw/zinc/41/41/86/430414186.db2.gz FWEZYMPJHGFSFM-INIZCTEOSA-N 2 0 320.477 2.587 20 0 DFADRP C[C@@H]1CCCC[N@@H+]1CCC1CCN(C(=O)CC[NH2+]C2CC2)CC1 ZINC000583640995 430414869 /nfs/dbraw/zinc/41/48/69/430414869.db2.gz ATSAEWGNYCZEFJ-MRXNPFEDSA-N 2 0 321.509 2.632 20 0 DFADRP CC[C@@H]([NH3+])c1cn(Cc2cccc(C[NH+]3CCCCC3)c2)nn1 ZINC000641179206 430353845 /nfs/dbraw/zinc/35/38/45/430353845.db2.gz GCIXDMXOGRYRDO-QGZVFWFLSA-N 2 0 313.449 2.722 20 0 DFADRP CC(C)[C@@H]1CCCC[C@H]1[NH2+]Cc1nnc(C2CC[NH2+]CC2)[nH]1 ZINC000583020087 430355928 /nfs/dbraw/zinc/35/59/28/430355928.db2.gz WRTJKXXIXLBJID-LSDHHAIUSA-N 2 0 305.470 2.576 20 0 DFADRP C[C@@H](CC[NH2+]CCCC[NH+]1CCN(C)CC1)c1ccccc1 ZINC000568472094 430360498 /nfs/dbraw/zinc/36/04/98/430360498.db2.gz AOJCVASPDTZZKA-SFHVURJKSA-N 2 0 303.494 2.797 20 0 DFADRP CC(C)C[C@@H]1CCC[C@@H]([NH2+]Cc2nnc(C3CC[NH2+]CC3)[nH]2)C1 ZINC000568501080 430363186 /nfs/dbraw/zinc/36/31/86/430363186.db2.gz CSYXRJPWZHESKX-GOEBONIOSA-N 2 0 319.497 2.966 20 0 DFADRP CC(C)(C[NH2+]C[C@H](O)CCc1ccccc1)C[NH+]1CCCC1 ZINC000568502387 430363685 /nfs/dbraw/zinc/36/36/85/430363685.db2.gz ODKQSRSUDMQMHS-GOSISDBHSA-N 2 0 304.478 2.692 20 0 DFADRP CC[NH+]1CCC(C[NH2+]C[C@H](O)Cc2cccc(Cl)c2)CC1 ZINC000583138767 430367211 /nfs/dbraw/zinc/36/72/11/430367211.db2.gz IMLDHSYSTHQQTK-QGZVFWFLSA-N 2 0 310.869 2.565 20 0 DFADRP C[N@@H+]1CC[C@H](CC(=O)Nc2cccc(CC[NH+]3CCCC3)c2)C1 ZINC000635760371 430368128 /nfs/dbraw/zinc/36/81/28/430368128.db2.gz REPKJUSYLJZZAZ-QGZVFWFLSA-N 2 0 315.461 2.605 20 0 DFADRP CO[C@H](C[NH2+]CCCCC[NH+]1CCCCC1)C1CCOCC1 ZINC000638527992 430368347 /nfs/dbraw/zinc/36/83/47/430368347.db2.gz VNUAFPYELLSGEC-GOSISDBHSA-N 2 0 312.498 2.674 20 0 DFADRP COc1ccccc1-c1ncc(C[NH2+]CC2=CC[N@H+](C)CC2)cn1 ZINC000583179981 430370071 /nfs/dbraw/zinc/37/00/71/430370071.db2.gz LXNAFFMOPIGXQW-UHFFFAOYSA-N 2 0 324.428 2.504 20 0 DFADRP c1cnn(C2CC([NH2+]C3CC[NH+](C4CCCCC4)CC3)C2)c1 ZINC000638719629 430417439 /nfs/dbraw/zinc/41/74/39/430417439.db2.gz FZMMBBGHSZDOFL-UHFFFAOYSA-N 2 0 302.466 2.973 20 0 DFADRP C[C@@H]([NH3+])c1ccc(C(=O)N2CCCc3cccc(C[NH3+])c32)cc1 ZINC000638544359 430373820 /nfs/dbraw/zinc/37/38/20/430373820.db2.gz UMNZVVAOZORGOV-CYBMUJFWSA-N 2 0 309.413 2.758 20 0 DFADRP CC[N@H+](C)Cc1cccc(C[NH2+][C@@H](C)C[C@H]2CCCC(=O)N2)c1 ZINC000638564274 430376838 /nfs/dbraw/zinc/37/68/38/430376838.db2.gz XQFNNUPIYKZREV-MAUKXSAKSA-N 2 0 317.477 2.675 20 0 DFADRP CC1=C(C)C[C@H]([C@@H](C)[NH2+]CCC[N@@H+]2CCC[C@@H](C(N)=O)C2)CC1 ZINC000638570842 430378490 /nfs/dbraw/zinc/37/84/90/430378490.db2.gz HRVBDHCFBUMRTK-KZNAEPCWSA-N 2 0 321.509 2.688 20 0 DFADRP Cc1ccc(C[NH2+][C@@H]2CCC[C@@H]([NH3+])C2)c(O[C@H]2CCOC2)c1 ZINC000568651445 430378694 /nfs/dbraw/zinc/37/86/94/430378694.db2.gz UNGXUDULJBVLOR-ZACQAIPSSA-N 2 0 304.434 2.522 20 0 DFADRP C[C@H](C[C@@H]1CCCC(=O)N1)[NH2+]C[C@H](C)N(C)Cc1ccccc1 ZINC000638618025 430389833 /nfs/dbraw/zinc/38/98/33/430389833.db2.gz LCBYFEBJOGBBRN-RYRKJORJSA-N 2 0 317.477 2.544 20 0 DFADRP CC(C)(C)[NH+]1CCC(NC(=O)Nc2ccc3c(c2)C[NH2+]C3)CC1 ZINC000568973023 430410476 /nfs/dbraw/zinc/41/04/76/430410476.db2.gz CIHSCHNYYQWFFD-UHFFFAOYSA-N 2 0 316.449 2.674 20 0 DFADRP C[C@H](c1nc(C(C)(C)C)no1)N1CC[C@H](c2nccn2C)C1 ZINC000583879722 430436506 /nfs/dbraw/zinc/43/65/06/430436506.db2.gz AEVZJBBXEMPSAS-NEPJUHHUSA-N 2 0 303.410 2.651 20 0 DFADRP C[C@H](C(=O)N(C)CCCC[NH+]1CCCCC1)[NH+]1[C@H](C)CC[C@H]1C ZINC000641662237 430437620 /nfs/dbraw/zinc/43/76/20/430437620.db2.gz ZVJIKIRUWDTENJ-KZNAEPCWSA-N 2 0 323.525 2.972 20 0 DFADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N(C)CCCC[NH+]1CCCCC1 ZINC000641661485 430438002 /nfs/dbraw/zinc/43/80/02/430438002.db2.gz NEUPLPNWKJAIAT-QGZVFWFLSA-N 2 0 309.498 2.585 20 0 DFADRP CN(CCCC[NH+]1CCCCC1)C(=O)[C@H](C1CC1)[NH+]1CCCC1 ZINC000641673485 430440123 /nfs/dbraw/zinc/44/01/23/430440123.db2.gz RBBCHQKDDSTWKJ-SFHVURJKSA-N 2 0 321.509 2.585 20 0 DFADRP C[N@H+](CCC(=O)NCC1CC[NH+](C2CC2)CC1)C1CCCCC1 ZINC000548065065 430443175 /nfs/dbraw/zinc/44/31/75/430443175.db2.gz BZFUQHVUCFIIRA-UHFFFAOYSA-N 2 0 321.509 2.632 20 0 DFADRP C[C@H](CNC(=O)[C@@H]1CCCCCC[C@@H]1[NH3+])[N@@H+]1CCC[C@@H](C)C1 ZINC000569357737 430448563 /nfs/dbraw/zinc/44/85/63/430448563.db2.gz ZQJWRZOQRARZAL-VQHPVUNQSA-N 2 0 309.498 2.521 20 0 DFADRP CSc1ccc(C[NH2+]C2CCN(C3CC[NH+](C)CC3)CC2)o1 ZINC000641714055 430450532 /nfs/dbraw/zinc/45/05/32/430450532.db2.gz WOAVQKOGXZQGFC-UHFFFAOYSA-N 2 0 323.506 2.650 20 0 DFADRP CO[C@H](C[NH2+]CC1CCN(c2cc[nH+]cc2)CC1)CC(C)C ZINC000638837065 430450883 /nfs/dbraw/zinc/45/08/83/430450883.db2.gz NZDAGJSRURZZGM-SFHVURJKSA-N 2 0 305.466 2.949 20 0 DFADRP CCC1([NH+]2CCCC2)CCN(C(=O)C[C@@H]2CCC[NH2+]CC2)CC1 ZINC000638862260 430459377 /nfs/dbraw/zinc/45/93/77/430459377.db2.gz QGOXJGYFVQQKTG-QGZVFWFLSA-N 2 0 321.509 2.633 20 0 DFADRP CC[NH+]1CCC(C[NH2+][C@H](c2ccccc2)c2ccncn2)CC1 ZINC000569541708 430462066 /nfs/dbraw/zinc/46/20/66/430462066.db2.gz IBAZJLBTEIVDDP-LJQANCHMSA-N 2 0 310.445 2.888 20 0 DFADRP O=C(N[C@H]1C[C@@H]([NH+]2CCCC2)C1)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC000636110577 430463873 /nfs/dbraw/zinc/46/38/73/430463873.db2.gz DFAOOPHABGHDGJ-BPQIPLTHSA-N 2 0 319.493 2.527 20 0 DFADRP COc1cccc2c1CCC[C@@H]2[NH2+]C[C@@H]1CCCCN1CCO ZINC000584154960 430464011 /nfs/dbraw/zinc/46/40/11/430464011.db2.gz ZXAWIRUAEVPLOF-YJBOKZPZSA-N 2 0 318.461 2.509 20 0 DFADRP COc1cccc(N2CCC[C@H]([NH2+][C@@H]3CCC[C@@H]([NH3+])C3)C2)c1 ZINC000584183159 430467126 /nfs/dbraw/zinc/46/71/26/430467126.db2.gz WRMJWSOMHYSXOB-OAGGEKHMSA-N 2 0 303.450 2.524 20 0 DFADRP [NH3+][C@@H]1CCCO[C@H]1C1CC[NH+](C[C@H]2CCC3(CCCC3)O2)CC1 ZINC000641800482 430475868 /nfs/dbraw/zinc/47/58/68/430475868.db2.gz XTBNZLUWZGDVEG-KURKYZTESA-N 2 0 322.493 2.697 20 0 DFADRP [NH3+][C@@H]1CCCO[C@H]1C1CC[NH+](C[C@@H]2CCC3(CCCC3)O2)CC1 ZINC000641800481 430476424 /nfs/dbraw/zinc/47/64/24/430476424.db2.gz XTBNZLUWZGDVEG-KSZLIROESA-N 2 0 322.493 2.697 20 0 DFADRP CC1(C)[C@H]([NH2+]CCOc2ccc(C(F)(F)F)cc2)C[C@@H]1[NH3+] ZINC000641803958 430477524 /nfs/dbraw/zinc/47/75/24/430477524.db2.gz WJFORBKOVBGRRO-QWHCGFSZSA-N 2 0 302.340 2.800 20 0 DFADRP CC1(C)[C@H]([NH3+])C[C@@H]1[NH2+]Cc1cccc(OCC(F)(F)F)c1 ZINC000641806417 430477568 /nfs/dbraw/zinc/47/75/68/430477568.db2.gz PIEFITASHPEKFP-OLZOCXBDSA-N 2 0 302.340 2.843 20 0 DFADRP c1cc2c(cc1CN1CCC[C@H]([NH+]3CCCC3)CC1)C[NH2+]CC2 ZINC000583758176 430425730 /nfs/dbraw/zinc/42/57/30/430425730.db2.gz XWORZQOYRJLHHS-FQEVSTJZSA-N 2 0 313.489 2.783 20 0 DFADRP Cc1cc(F)ccc1CC[NH2+]C1CC[NH+](CC(C)(C)O)CC1 ZINC000638765738 430429377 /nfs/dbraw/zinc/42/93/77/430429377.db2.gz LRVQKZNWUXWPQF-UHFFFAOYSA-N 2 0 308.441 2.502 20 0 DFADRP CCCc1nc(C)c(C[N@@H+]2CCC[C@H]([C@H]3C[C@H]([NH3+])CCO3)C2)o1 ZINC000641823616 430482510 /nfs/dbraw/zinc/48/25/10/430482510.db2.gz STXDVZSMBVDLAG-ARFHVFGLSA-N 2 0 321.465 2.654 20 0 DFADRP C(O[C@H]1CC[NH2+]C1)C1CC[NH+](C[C@@H]2CCC3(CCCC3)O2)CC1 ZINC000641819081 430483005 /nfs/dbraw/zinc/48/30/05/430483005.db2.gz HJQQWRGMOFINQE-ROUUACIJSA-N 2 0 322.493 2.569 20 0 DFADRP C[C@H]([NH2+]Cc1ccccc1C[N@@H+]1CCC[C@@H]1CO)[C@H]1CC1(F)F ZINC000638972613 430485560 /nfs/dbraw/zinc/48/55/60/430485560.db2.gz VRMUZLRAEOHROX-IAOVAPTHSA-N 2 0 324.415 2.777 20 0 DFADRP CC[N@@H+]1C[C@H](C)N(C(=O)CC[NH+](C)C2CCCCC2)C[C@H]1C ZINC000548721253 430493971 /nfs/dbraw/zinc/49/39/71/430493971.db2.gz LBKMTCIACUPXIM-CVEARBPZSA-N 2 0 309.498 2.582 20 0 DFADRP [NH3+][C@H]1CCC[C@H]([NH2+]CC2(c3ccc(F)cc3)CCOCC2)C1 ZINC000570411068 430540681 /nfs/dbraw/zinc/54/06/81/430540681.db2.gz TWAYQFLYGXXVHM-IRXDYDNUSA-N 2 0 306.425 2.733 20 0 DFADRP C[C@H]1CC[N@H+](CC(=O)NCC2([NH+]3CCCCC3)CCCCC2)C1 ZINC000548826190 430503890 /nfs/dbraw/zinc/50/38/90/430503890.db2.gz ZXHGPWHLDHGHJE-KRWDZBQOSA-N 2 0 321.509 2.633 20 0 DFADRP C[C@@H]1CC[N@H+](CC(=O)NCC2([NH+]3CCCCC3)CCCCC2)C1 ZINC000548826191 430504522 /nfs/dbraw/zinc/50/45/22/430504522.db2.gz ZXHGPWHLDHGHJE-QGZVFWFLSA-N 2 0 321.509 2.633 20 0 DFADRP CC[C@@](C)(C[N@@H+]1CC[C@@H](CN(C)Cc2cccnc2)C1)OC ZINC000639079535 430515057 /nfs/dbraw/zinc/51/50/57/430515057.db2.gz FTTCZTXONREICN-ROUUACIJSA-N 2 0 305.466 2.650 20 0 DFADRP CCC[C@H](C[N@@H+]1CC[C@@H](CN(C)Cc2cccnc2)C1)OC ZINC000639080644 430515804 /nfs/dbraw/zinc/51/58/04/430515804.db2.gz MMXABZYDRATYSP-ZWKOTPCHSA-N 2 0 305.466 2.650 20 0 DFADRP Cc1cccc(NC(=O)C[C@H](C)[NH2+]CC2([NH3+])CCCCC2)c1 ZINC000570200291 430521241 /nfs/dbraw/zinc/52/12/41/430521241.db2.gz XKDQCDLFDCVEOP-HNNXBMFYSA-N 2 0 303.450 2.963 20 0 DFADRP CO[C@@H](C[NH2+]CC1CC[NH+](C2CC2)CC1)Cc1ccccc1 ZINC000639109400 430527927 /nfs/dbraw/zinc/52/79/27/430527927.db2.gz ZDSFKPQBEZPKKC-LJQANCHMSA-N 2 0 302.462 2.708 20 0 DFADRP CO[C@H](C[NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1)C1CCCCC1 ZINC000639125258 430533591 /nfs/dbraw/zinc/53/35/91/430533591.db2.gz YYSVINWUIPQWIS-FUHWJXTLSA-N 2 0 312.498 2.672 20 0 DFADRP COc1ccccc1N1CC[C@H](C[NH2+][C@H]2CCCCC[C@H]2[NH3+])C1 ZINC000570388823 430539228 /nfs/dbraw/zinc/53/92/28/430539228.db2.gz IIWXEWSEMAVQDJ-ZACQAIPSSA-N 2 0 317.477 2.771 20 0 DFADRP O[C@H](C[NH2+][C@@H]1CCN(C2CC2)[C@@H](c2ccccc2)C1)C1CC1 ZINC000639173057 430552655 /nfs/dbraw/zinc/55/26/55/430552655.db2.gz SORCOMQFYCRXAQ-BHIYHBOVSA-N 2 0 300.446 2.715 20 0 DFADRP OC[C@H](CCF)[NH2+][C@@H]1CCN(C2CC2)[C@H](c2ccccc2)C1 ZINC000639295539 430601020 /nfs/dbraw/zinc/60/10/20/430601020.db2.gz MPMYBQFOXUFTCB-RYRKJORJSA-N 2 0 306.425 2.665 20 0 DFADRP COc1ccc(COCC[N@@H+]2C[C@H](C[NH3+])[C@H](C)C[C@@H]2C)cc1 ZINC000643441038 430601137 /nfs/dbraw/zinc/60/11/37/430601137.db2.gz OBLNZWQBNJCDJX-VYDXJSESSA-N 2 0 306.450 2.517 20 0 DFADRP CC(C)(C)O[C@@H]1C[C@@H]([NH2+][C@@H]2CCc3nc[nH]c3C2)C12CCC2 ZINC000639192027 430564475 /nfs/dbraw/zinc/56/44/75/430564475.db2.gz OEDANHCKSZBFOM-DAXOMENPSA-N 2 0 303.450 2.983 20 0 DFADRP C[C@H](N[C@@H](C[NH+]1CCCCC1)c1ccccc1)[C@H]1CCC[NH2+]1 ZINC000643451868 430601229 /nfs/dbraw/zinc/60/12/29/430601229.db2.gz NIMVKBUIBRPPPF-UHOSZYNNSA-N 2 0 301.478 2.944 20 0 DFADRP C[C@@H](N[C@H](C[NH+]1CCCCC1)c1ccccc1)[C@@H]1CCC[NH2+]1 ZINC000643451865 430601310 /nfs/dbraw/zinc/60/13/10/430601310.db2.gz NIMVKBUIBRPPPF-NZSAHSFTSA-N 2 0 301.478 2.944 20 0 DFADRP COc1cccc2c1OC[C@H]([NH2+][C@@H]1C[C@H]([NH3+])c3ccccc31)C2 ZINC000643451955 430601318 /nfs/dbraw/zinc/60/13/18/430601318.db2.gz CVVWAMSBXZUXSA-XOKHGSTOSA-N 2 0 310.397 2.733 20 0 DFADRP CON1CCC([NH2+][C@H]2CN(Cc3ccccc3)C(C)(C)C2)CC1 ZINC000643296804 430576690 /nfs/dbraw/zinc/57/66/90/430576690.db2.gz ZCOZWSUNDIIAFM-GOSISDBHSA-N 2 0 317.477 2.655 20 0 DFADRP CN(C[C@H](O)C[NH2+][C@@H]1CCC(C)(C)c2ccccc21)C1CC1 ZINC000570794233 430576882 /nfs/dbraw/zinc/57/68/82/430576882.db2.gz CUDHMLUGHCOQSX-CRAIPNDOSA-N 2 0 302.462 2.844 20 0 DFADRP Cc1cc(C)c([C@@H](C)[N@H+]2C[C@@H](c3cnn(C)c3)[C@H](N)C2)c(C)c1 ZINC000570793371 430576908 /nfs/dbraw/zinc/57/69/08/430576908.db2.gz XCMJLGIDTRVOHB-BPQIPLTHSA-N 2 0 312.461 2.833 20 0 DFADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)[C@@H]1CCC[C@@H]2CCCC[C@H]12 ZINC000552005048 430578186 /nfs/dbraw/zinc/57/81/86/430578186.db2.gz JJPPBSKCORGQNB-OKZBNKHCSA-N 2 0 323.525 2.545 20 0 DFADRP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]C[C@H]1CCN(c2ccc(F)c(F)c2)C1 ZINC000643453175 430601859 /nfs/dbraw/zinc/60/18/59/430601859.db2.gz LTZXPIMNOOHGKV-IGCXYCKISA-N 2 0 309.404 2.508 20 0 DFADRP C[C@@H](CCCC[NH3+])[NH2+]C[C@@H]1CCN(c2ccc(F)c(F)c2)C1 ZINC000643453249 430601881 /nfs/dbraw/zinc/60/18/81/430601881.db2.gz UCCUULUETVRULI-KBPBESRZSA-N 2 0 311.420 2.898 20 0 DFADRP O=C(C[NH2+][C@H]1CCC[C@H](C2CC2)C1)NCC[NH+]1CCCCCC1 ZINC000552064824 430583261 /nfs/dbraw/zinc/58/32/61/430583261.db2.gz RIDYUVBCYKOHSU-ROUUACIJSA-N 2 0 321.509 2.537 20 0 DFADRP CCC(C)(C)[NH2+][C@H](C)C(=O)NCC[N@H+]1CC=C(C(C)(C)C)CC1 ZINC000552170106 430588818 /nfs/dbraw/zinc/58/88/18/430588818.db2.gz ZDVWWDFJXMQTFI-OAHLLOKOSA-N 2 0 323.525 2.948 20 0 DFADRP COc1cccc2c1OC[C@H]([NH2+][C@@H](C)C[C@H]1CCCCC[NH2+]1)C2 ZINC000643452050 430602165 /nfs/dbraw/zinc/60/21/65/430602165.db2.gz RCRBGWIRNSQDOY-USXIJHARSA-N 2 0 318.461 2.899 20 0 DFADRP C[C@@H]([NH2+]CC1(O)CC[NH+](Cc2ccccc2)CC1)[C@H]1CC1(F)F ZINC000639264501 430593462 /nfs/dbraw/zinc/59/34/62/430593462.db2.gz FEOMLTSIVXDRFU-GDBMZVCRSA-N 2 0 324.415 2.647 20 0 DFADRP Cc1nc2ccccc2n1CCCCC[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000643366958 430593956 /nfs/dbraw/zinc/59/39/56/430593956.db2.gz LTDBSSPPWIRZIV-IRXDYDNUSA-N 2 0 312.461 2.666 20 0 DFADRP CC(C)CC[C@@H](O)C[NH2+]C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000571040295 430598776 /nfs/dbraw/zinc/59/87/76/430598776.db2.gz AADNJACWYHGNJR-RBUKOAKNSA-N 2 0 304.478 2.895 20 0 DFADRP CC(C)(O)C[NH+]1CCC([NH2+][C@@H]2CCCC[C@@H]2C(F)(F)F)CC1 ZINC000639288512 430599393 /nfs/dbraw/zinc/59/93/93/430599393.db2.gz FBBYSGNWNGYJBR-UONOGXRCSA-N 2 0 322.415 2.932 20 0 DFADRP CC[N@H+](CCC[NH2+]C[C@@H](OC)[C@@H]1CCOC1)C1CCCCC1 ZINC000639289779 430599611 /nfs/dbraw/zinc/59/96/11/430599611.db2.gz COQLSIYFNVLFTB-SJLPKXTDSA-N 2 0 312.498 2.672 20 0 DFADRP C[C@@H]1CC[C@H](C)[N@H+]1[C@H]1CCCN(C(=O)CCCC[NH+](C)C)C1 ZINC000552554776 430600281 /nfs/dbraw/zinc/60/02/81/430600281.db2.gz VDGOHWWMKZSGFY-BBWFWOEESA-N 2 0 309.498 2.582 20 0 DFADRP COc1cc2c(cc1F)[nH+]ccc2N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000643031617 430543134 /nfs/dbraw/zinc/54/31/34/430543134.db2.gz TWPARMODMROHQT-IAQYHMDHSA-N 2 0 301.365 2.571 20 0 DFADRP C[NH+]1CCN(Cc2ccc(C[NH2+][C@@H]3CCC[C@H]4C[C@H]43)cc2)CC1 ZINC000554724837 430649605 /nfs/dbraw/zinc/64/96/05/430649605.db2.gz VBTJYMGKCXBSDU-XUVXKRRUSA-N 2 0 313.489 2.712 20 0 DFADRP Cc1ccnc(NC[C@H]2CC[N@H+](C[C@H]3CC(C)(C)CO3)C2)c1 ZINC000639483276 430652200 /nfs/dbraw/zinc/65/22/00/430652200.db2.gz RRADAYVMERISTM-HZPDHXFCSA-N 2 0 303.450 2.939 20 0 DFADRP C[C@@H]([NH2+]C[C@@H]1CCN(c2ccc(F)c(F)c2)C1)[C@H]1CCCC[NH2+]1 ZINC000643453183 430602672 /nfs/dbraw/zinc/60/26/72/430602672.db2.gz MOHWEZFMSFBOHO-QWQRMKEZSA-N 2 0 323.431 2.911 20 0 DFADRP CCOCCOc1cc(C)ccc1C[NH2+][C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000643461218 430603961 /nfs/dbraw/zinc/60/39/61/430603961.db2.gz WVCTZBOEUTUXLX-IRXDYDNUSA-N 2 0 320.477 2.888 20 0 DFADRP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+][C@@H]1CCN(C(=O)C2CCCC2)C1 ZINC000643463204 430604040 /nfs/dbraw/zinc/60/40/40/430604040.db2.gz KWUOUVZVCLWBAC-KBAYOESNSA-N 2 0 321.509 2.678 20 0 DFADRP C[C@@H]([NH2+]CCc1ccn(-c2ccc(F)cc2)n1)[C@@H]1CCC[NH2+]C1 ZINC000643458047 430604100 /nfs/dbraw/zinc/60/41/00/430604100.db2.gz ABMVQIFDEVZGOW-HUUCEWRRSA-N 2 0 316.424 2.532 20 0 DFADRP c1ccc(CCCC[NH2+][C@@H]2CCOC[C@H]2[C@@H]2CCC[NH2+]2)cc1 ZINC000643458268 430604789 /nfs/dbraw/zinc/60/47/89/430604789.db2.gz DSZBKDRRZAWDAH-GBESFXJTSA-N 2 0 302.462 2.756 20 0 DFADRP CCOCCOCc1cccc(C[NH2+][C@@H](C)[C@@H]2CCC[NH2+]C2)c1 ZINC000643461465 430604944 /nfs/dbraw/zinc/60/49/44/430604944.db2.gz BKBOPVVQDIUBOR-QFBILLFUSA-N 2 0 320.477 2.717 20 0 DFADRP C[C@@H]([NH2+]Cc1cccc(COCc2ccco2)c1)C1C[NH2+]C1 ZINC000643471856 430605600 /nfs/dbraw/zinc/60/56/00/430605600.db2.gz LWKVSDGWHIRTEQ-CQSZACIVSA-N 2 0 300.402 2.694 20 0 DFADRP C[C@H]([NH3+])C[C@H](C)N[C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]12 ZINC000643480369 430607208 /nfs/dbraw/zinc/60/72/08/430607208.db2.gz CJMAJVYWXOAPAF-BHEBFOIGSA-N 2 0 301.478 2.612 20 0 DFADRP c1ccc2c(c1)O[C@@]1(CC[NH2+]C1)C[C@H]2[NH2+]CCOCC1CCC1 ZINC000643481269 430607331 /nfs/dbraw/zinc/60/73/31/430607331.db2.gz BPCZQYODVTYYLY-MJGOQNOKSA-N 2 0 316.445 2.649 20 0 DFADRP C[C@H]([NH3+])[C@@H]1COCC[C@H]1[NH2+][C@H]1C[C@@H](Oc2ccccc2)C1(C)C ZINC000571156508 430607517 /nfs/dbraw/zinc/60/75/17/430607517.db2.gz LNPSQRWIRHVDAX-XEIOYGOASA-N 2 0 318.461 2.574 20 0 DFADRP OCc1ccc(CC[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)cc1 ZINC000643478187 430607593 /nfs/dbraw/zinc/60/75/93/430607593.db2.gz BCLKZDJJKNKDSK-CEXWTWQISA-N 2 0 302.462 2.622 20 0 DFADRP CC[NH2+]CCCNC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000643498985 430608450 /nfs/dbraw/zinc/60/84/50/430608450.db2.gz HXTGVZPFIOODRU-YQQQUEKLSA-N 2 0 301.478 2.771 20 0 DFADRP C[C@H](N[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H]1C)[C@@H]1CCC[NH2+]C1 ZINC000643489595 430608618 /nfs/dbraw/zinc/60/86/18/430608618.db2.gz UEZKGXNONWRERA-QFHJOOASSA-N 2 0 301.478 2.627 20 0 DFADRP [NH3+]C[C@@H]1CCC[C@H]1[NH2+][C@@H]1CCCc2nn(-c3ccccc3)cc21 ZINC000643512481 430611261 /nfs/dbraw/zinc/61/12/61/430611261.db2.gz MQCFTSFVBVDSEN-BMGDILEWSA-N 2 0 310.445 2.967 20 0 DFADRP CC1CC[NH+](CCC[C@H](NC2C[NH2+]C2)c2ccc(F)cc2)CC1 ZINC000643510290 430611967 /nfs/dbraw/zinc/61/19/67/430611967.db2.gz QZYNMYOFUCQMTH-IBGZPJMESA-N 2 0 319.468 2.940 20 0 DFADRP COc1cc(C)c([C@@H](C)[NH2+][C@H]2CC23CC[NH2+]CC3)cc1OC ZINC000643533815 430612544 /nfs/dbraw/zinc/61/25/44/430612544.db2.gz FNBCXCHXEKYLPG-DYVFJYSZSA-N 2 0 304.434 2.805 20 0 DFADRP COc1ccc(C[C@@H](C)[NH2+][C@H]2CCC[NH2+]CC2)c(C)c1OC ZINC000643522532 430612907 /nfs/dbraw/zinc/61/29/07/430612907.db2.gz ONTPRGSDDJNSKV-CJNGLKHVSA-N 2 0 306.450 2.675 20 0 DFADRP C[C@H]([NH2+]Cc1ccc2c(c1)C[NH2+]C2)c1ccc(-n2cncn2)cc1 ZINC000643523445 430613098 /nfs/dbraw/zinc/61/30/98/430613098.db2.gz JFJNMKHDVDTQQW-AWEZNQCLSA-N 2 0 319.412 2.721 20 0 DFADRP C[C@H]([NH2+][C@H]1CC12CC[NH2+]CC2)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000643536486 430613969 /nfs/dbraw/zinc/61/39/69/430613969.db2.gz UIPQQWQAEFXIDM-WDSOQIARSA-N 3 0 313.489 2.629 20 0 DFADRP COc1ccc([C@@H](C)[NH2+][C@@H]2CC23CC[NH2+]CC3)c(C)c1OC ZINC000643535804 430614109 /nfs/dbraw/zinc/61/41/09/430614109.db2.gz JNZWCKSLGWKZPM-CZUORRHYSA-N 2 0 304.434 2.805 20 0 DFADRP COc1ccc(C[C@H](C)[NH2+][C@@H]2CC23CC[NH2+]CC3)c(C)c1OC ZINC000643536224 430614124 /nfs/dbraw/zinc/61/41/24/430614124.db2.gz OOYZHGGCFRLMJZ-SUMWQHHRSA-N 2 0 318.461 2.675 20 0 DFADRP CC(C)[C@H]([NH2+][C@H]1CC12CC[NH2+]CC2)c1ccc2[nH]c(=O)oc2c1 ZINC000643535062 430615034 /nfs/dbraw/zinc/61/50/34/430615034.db2.gz IKTAZMXLVYPZBU-HOTGVXAUSA-N 2 0 315.417 2.962 20 0 DFADRP COc1ccccc1C[C@@H]([NH2+][C@@H]1CC12CC[NH2+]CC2)C(C)C ZINC000643535388 430615059 /nfs/dbraw/zinc/61/50/59/430615059.db2.gz LLDASVDKDIOLNY-SJLPKXTDSA-N 2 0 302.462 2.994 20 0 DFADRP Cn1ccc([C@H]([NH2+][C@@H]2CC[C@@H](C[NH3+])C2)c2ccc(Cl)cc2)n1 ZINC000643542738 430615373 /nfs/dbraw/zinc/61/53/73/430615373.db2.gz PDUVGIINXVBVDZ-SRCQZFHVSA-N 2 0 318.852 2.880 20 0 DFADRP C[C@H]([NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1)c1ccc2[nH]c(=O)oc2c1 ZINC000643549187 430616410 /nfs/dbraw/zinc/61/64/10/430616410.db2.gz PDFYRZZDTWKHMN-IGHBBLSQSA-N 2 0 301.390 2.572 20 0 DFADRP CCO[C@@H]1C[C@@H]([NH2+]C[C@H]2CCN2C2CCCCC2)[C@]12CCCO2 ZINC000639346717 430617370 /nfs/dbraw/zinc/61/73/70/430617370.db2.gz VAIQKVDLJLDLHX-NCXUSEDFSA-N 2 0 322.493 2.710 20 0 DFADRP C[N@@H+]1CCCC[C@H](C[NH2+]C[C@@H]2CCN(c3ccccc3)C2)C1 ZINC000639345905 430617664 /nfs/dbraw/zinc/61/76/64/430617664.db2.gz CLJPEEFZJXYGJD-MSOLQXFVSA-N 2 0 301.478 2.834 20 0 DFADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C[NH2+][C@@H]1CO[C@@H](C2CC2)C1 ZINC000639360402 430619748 /nfs/dbraw/zinc/61/97/48/430619748.db2.gz WYHXCCXIYMBZTN-XFWGSAIBSA-N 2 0 314.473 2.912 20 0 DFADRP [NH3+][C@@H]1CCC[C@@H]([NH2+][C@H]2CCCN(Cc3c(F)cccc3F)C2)C1 ZINC000571344553 430621870 /nfs/dbraw/zinc/62/18/70/430621870.db2.gz UISNMZDMJSCIGT-KFWWJZLASA-N 2 0 323.431 2.789 20 0 DFADRP O[C@@H]1CCN([C@@H]2CCC[C@@H]2[NH2+]C2CCC(=C3CCC3)CC2)C1 ZINC000639370792 430622640 /nfs/dbraw/zinc/62/26/40/430622640.db2.gz DHAQRHJGCZESLL-CEXWTWQISA-N 2 0 304.478 2.987 20 0 DFADRP C[C@H]([NH2+][C@@H]1CCC[C@@H]1N1CC[C@H](O)C1)[C@@H]1C[C@H]1c1cccs1 ZINC000639370366 430622685 /nfs/dbraw/zinc/62/26/85/430622685.db2.gz CKZIQSGAHBKNSL-ROIMOXLHSA-N 2 0 320.502 2.817 20 0 DFADRP C[C@@]1(C[NH2+][C@@H]2CCC[C@@H]2N2CC[C@@H](O)C2)C[C@H]1c1ccccc1 ZINC000639373703 430624264 /nfs/dbraw/zinc/62/42/64/430624264.db2.gz TYUUILHUXFLIOZ-RMMWZPCPSA-N 2 0 314.473 2.758 20 0 DFADRP O[C@@H]1CCN([C@@H]2CCC[C@@H]2[NH2+][C@@H]2CCCc3ccccc3C2)C1 ZINC000639373735 430624412 /nfs/dbraw/zinc/62/44/12/430624412.db2.gz UGAJQOGUNKOLMB-YSTOQKLRSA-N 2 0 314.473 2.511 20 0 DFADRP [NH3+][C@@H]1CCO[C@@H](C2CC[NH+](Cc3scnc3C3CC3)CC2)C1 ZINC000571385704 430624435 /nfs/dbraw/zinc/62/44/35/430624435.db2.gz WXBGPXPADCURQY-HUUCEWRRSA-N 2 0 321.490 2.739 20 0 DFADRP C[C@H]([NH2+]C(C)(C)CNC(=O)C[N@@H+]1CC[C@@H](C)C1)c1ccccc1 ZINC000571461806 430629318 /nfs/dbraw/zinc/62/93/18/430629318.db2.gz JBZMWLCWRFFLLQ-CVEARBPZSA-N 2 0 317.477 2.574 20 0 DFADRP c1ccc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH2+][C@@H]4CCOC4)[C@@H]3C2)cc1 ZINC000643910776 430641881 /nfs/dbraw/zinc/64/18/81/430641881.db2.gz AHZMTGDJCSGZDK-MANSERQUSA-N 2 0 300.446 2.666 20 0 DFADRP [NH3+][C@@H]1CCC[C@H]([NH2+][C@H](CCO)c2cccc(C(F)(F)F)c2)C1 ZINC000572135429 430674162 /nfs/dbraw/zinc/67/41/62/430674162.db2.gz YIQFJFWSONJOQI-QLFBSQMISA-N 2 0 316.367 2.988 20 0 DFADRP C[C@H]1CCCC[N@@H+]1CCC1CCN(C(=O)C[C@H]2CCC[NH2+]2)CC1 ZINC000572247255 430678384 /nfs/dbraw/zinc/67/83/84/430678384.db2.gz ZZSFQCGRCNWLBB-FUHWJXTLSA-N 2 0 321.509 2.632 20 0 DFADRP C[C@H](C[C@H]1CCCCC[NH2+]1)[N@@H+]1CCC[C@@H](CC(C)(C)C(N)=O)C1 ZINC000572392070 430685859 /nfs/dbraw/zinc/68/58/59/430685859.db2.gz HKGAZYYLNKCIIJ-IXDOHACOSA-N 2 0 323.525 2.911 20 0 DFADRP OCCCN1CCC[C@@H]([NH2+][C@H](CC2CC2)c2ccccc2)C1 ZINC000556435495 430685513 /nfs/dbraw/zinc/68/55/13/430685513.db2.gz GLCLMQJPXSJRQM-RTBURBONSA-N 2 0 302.462 2.964 20 0 DFADRP CC(C)n1ncc2c1C[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@H]3CCC[C@H]31)CC2 ZINC000353687562 278144778 /nfs/dbraw/zinc/14/47/78/278144778.db2.gz MCTJIKMSXXBSAX-XDNAFOTISA-N 2 0 316.493 2.784 20 0 DFADRP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@H]1CC(C)(C)Cc2occc21 ZINC000154965198 278191767 /nfs/dbraw/zinc/19/17/67/278191767.db2.gz QZRYGGFZXDZYHA-ZBFHGGJFSA-N 2 0 305.466 2.519 20 0 DFADRP CN(CCC[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@H]21)c1ccccc1 ZINC000556875641 430695235 /nfs/dbraw/zinc/69/52/35/430695235.db2.gz AHQSZGZJJHOHAN-IPMKNSEASA-N 2 0 301.478 2.975 20 0 DFADRP [NH3+]C[C@H]1CC[C@H](C[NH2+]Cc2cnc(-c3ccccc3)nc2)CC1 ZINC000572612517 430692530 /nfs/dbraw/zinc/69/25/30/430692530.db2.gz DOBZFSZJDJFGJV-WKILWMFISA-N 2 0 310.445 2.998 20 0 DFADRP C[C@@H](CCN[C@@H]1CC[N@H+](C)C[C@H]1C)[NH+](C)Cc1ccccc1 ZINC000361755952 278233825 /nfs/dbraw/zinc/23/38/25/278233825.db2.gz SKGLPIVQOKXOMS-ZIFCJYIRSA-N 2 0 303.494 2.827 20 0 DFADRP C[C@@H](C[NH2+][C@H]1CCc2cc(Cl)ccc21)CN1CC[NH+](C)CC1 ZINC000121039636 278286853 /nfs/dbraw/zinc/28/68/53/278286853.db2.gz YZBIMMAPBXYQTL-KSSFIOAISA-N 2 0 321.896 2.800 20 0 DFADRP CCC[NH2+][C@@H](C)C(=O)N1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000572767737 430696949 /nfs/dbraw/zinc/69/69/49/430696949.db2.gz KJHXSBAJJHPPRB-IRXDYDNUSA-N 2 0 323.525 2.878 20 0 DFADRP CC[C@@H](C[NH2+][C@@H](C)c1ccnn1C)N1CCc2ccccc2C1 ZINC000572808144 430697045 /nfs/dbraw/zinc/69/70/45/430697045.db2.gz AOCYHNDDGDOWFB-YJBOKZPZSA-N 2 0 312.461 2.908 20 0 DFADRP C[C@@H]([NH2+]CCCOc1cccc2cccnc21)[C@@H]1CCC[NH2+]C1 ZINC000572951422 430698196 /nfs/dbraw/zinc/69/81/96/430698196.db2.gz QHOJPGJQLCDNPR-NVXWUHKLSA-N 2 0 313.445 2.981 20 0 DFADRP CC(C)(C)OC(=O)CCCC[N@@H+]1C[C@@H]2C[NH+]3CCCC[C@@H]3[C@@H]2C1 ZINC000364653343 278372400 /nfs/dbraw/zinc/37/24/00/278372400.db2.gz DWQSAPNQJUUPNB-BRWVUGGUSA-N 2 0 322.493 2.915 20 0 DFADRP CC1(C)C[C@H]([NH2+]C2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)C(C)(C)O1 ZINC000246487969 278388080 /nfs/dbraw/zinc/38/80/80/278388080.db2.gz RQNFSNMPBWMXCW-ZACQAIPSSA-N 2 0 324.509 2.690 20 0 DFADRP c1cc(C[NH2+][C@H]2[C@H]3Cc4ccccc4[C@H]32)n(-c2cc[nH+]cc2)n1 ZINC000657727804 430718417 /nfs/dbraw/zinc/71/84/17/430718417.db2.gz TVNWHBNBWQGARA-OTWHNJEPSA-N 2 0 302.381 2.695 20 0 DFADRP c1cc2c(cc1C[NH2+]C1CCN([C@H]3CCOC3)CC1)CCCC2 ZINC000657753869 430724849 /nfs/dbraw/zinc/72/48/49/430724849.db2.gz ZNBAICLUJUXEOQ-FQEVSTJZSA-N 2 0 314.473 2.908 20 0 DFADRP Cc1cccc2[nH]c(C[NH2+]C3CCN([C@H]4CCOC4)CC3)cc21 ZINC000657752187 430725052 /nfs/dbraw/zinc/72/50/52/430725052.db2.gz NBQKLDDDVONZMG-KRWDZBQOSA-N 2 0 313.445 2.819 20 0 DFADRP c1cc2cnccc2c(C[NH2+]C2CCN([C@@H]3CCOC3)CC2)c1 ZINC000657752785 430725753 /nfs/dbraw/zinc/72/57/53/430725753.db2.gz RENLEBPLCZVPBG-GOSISDBHSA-N 2 0 311.429 2.578 20 0 DFADRP c1cc2cc(C[NH2+]C3CCN([C@H]4CCOC4)CC3)ccc2o1 ZINC000657751437 430725837 /nfs/dbraw/zinc/72/58/37/430725837.db2.gz JENJWVLAKHXBKU-KRWDZBQOSA-N 2 0 300.402 2.776 20 0 DFADRP C/C(=C\c1ccccc1)C[NH2+]C1CCN([C@@H]2CCOC2)CC1 ZINC000657750996 430726033 /nfs/dbraw/zinc/72/60/33/430726033.db2.gz MOGMRFPLRWXLDA-NRMGUKERSA-N 2 0 300.446 2.933 20 0 DFADRP c1ccc(C[N@H+]2CC[C@@H](C[NH2+][C@H]3COC4(CCC4)C3)C2)cc1 ZINC000657999351 430782643 /nfs/dbraw/zinc/78/26/43/430782643.db2.gz UKFZVAHHQZKJRU-ZWKOTPCHSA-N 2 0 300.446 2.810 20 0 DFADRP O[C@@H](C[NH2+]Cc1ccc(Cn2ccnc2)cc1)Cc1ccccc1 ZINC000644523387 430742633 /nfs/dbraw/zinc/74/26/33/430742633.db2.gz VWVVLAYDISLFLP-HXUWFJFHSA-N 2 0 321.424 2.625 20 0 DFADRP COc1ccc(OC)c(C[NH2+]CC2CC[NH+](CC3CC3)CC2)c1 ZINC000657812243 430743098 /nfs/dbraw/zinc/74/30/98/430743098.db2.gz PHRUNXWPFGDUIE-UHFFFAOYSA-N 2 0 318.461 2.915 20 0 DFADRP Cc1nccn1C[C@@H](C)C[NH2+]CCC(=O)Nc1ccccc1F ZINC000644525353 430743619 /nfs/dbraw/zinc/74/36/19/430743619.db2.gz VCEMMXMRBRZJLV-ZDUSSCGKSA-N 2 0 318.396 2.585 20 0 DFADRP CCOc1cccc(C[NH2+]CC2CC[NH+](CC3CC3)CC2)n1 ZINC000657812844 430743807 /nfs/dbraw/zinc/74/38/07/430743807.db2.gz HFARKZSUMLXCEE-UHFFFAOYSA-N 2 0 303.450 2.692 20 0 DFADRP CC(C)[C@@H](C[NH2+][C@H]1[C@@H]2CCC[C@@H]2C1(C)C)N1CC[NH+](C)CC1 ZINC000657831603 430748952 /nfs/dbraw/zinc/74/89/52/430748952.db2.gz CNXOVIRPAMXWNJ-XDNAFOTISA-N 2 0 307.526 2.673 20 0 DFADRP C[C@@H]([NH2+]C1CCN(CC[NH+](C)C)CC1)c1cc2cnccc2o1 ZINC000657833523 430749301 /nfs/dbraw/zinc/74/93/01/430749301.db2.gz UXOHYOUBLQUJPY-CQSZACIVSA-N 2 0 316.449 2.504 20 0 DFADRP CC(C)(C)[NH+]1CCC([NH2+][C@H]2CC[C@@](O)(C(F)(F)F)C2)CC1 ZINC000644551598 430750131 /nfs/dbraw/zinc/75/01/31/430750131.db2.gz JXELAKSXJCWASM-JSGCOSHPSA-N 2 0 308.388 2.685 20 0 DFADRP CN(Cc1ccccc1)C[C@H](O)C[NH2+][C@@H]1C[C@]1(C)c1ccccc1 ZINC000644574671 430756117 /nfs/dbraw/zinc/75/61/17/430756117.db2.gz BIKRMGRTTZOUGD-NJDAHSKKSA-N 2 0 324.468 2.799 20 0 DFADRP CCOC1CCC([NH2+]C2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)CC1 ZINC000657925081 430769422 /nfs/dbraw/zinc/76/94/22/430769422.db2.gz MFVALELIPBSISB-SOTJZCEJSA-N 2 0 324.509 2.692 20 0 DFADRP O[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+][C@H]2CCCSCC2)CC1 ZINC000657930520 430771305 /nfs/dbraw/zinc/77/13/05/430771305.db2.gz XXKNNWBDTWOFDI-BHYGNILZSA-N 2 0 312.523 2.630 20 0 DFADRP c1cc2n(n1)CCC[C@@H]2[NH2+]C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000657997276 430783907 /nfs/dbraw/zinc/78/39/07/430783907.db2.gz ARMLHABBUZKWIM-ROUUACIJSA-N 2 0 310.445 2.830 20 0 DFADRP O[C@@H]1CC[N@H+](Cc2ccccc2C[NH2+][C@@H]2CCCSCC2)C1 ZINC000657969742 430776978 /nfs/dbraw/zinc/77/69/78/430776978.db2.gz UJIYHMZTEVDLBP-QZTJIDSGSA-N 2 0 320.502 2.629 20 0 DFADRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+][C@@H](C)c1cc2cnccc2o1 ZINC000657976990 430779659 /nfs/dbraw/zinc/77/96/59/430779659.db2.gz VEKQUNRLIDICQT-CABCVRRESA-N 2 0 316.449 2.504 20 0 DFADRP COc1ccccc1[C@H](C)[NH2+][C@@H](C)CN(C)CCC[NH+](C)C ZINC000658106300 430813307 /nfs/dbraw/zinc/81/33/07/430813307.db2.gz BBKQJTYJUHZZTG-HOTGVXAUSA-N 2 0 307.482 2.618 20 0 DFADRP O[C@@H]1CC[N@H+](Cc2ccc(C[NH2+][C@@H]3CCCSCC3)cc2)C1 ZINC000658136326 430820818 /nfs/dbraw/zinc/82/08/18/430820818.db2.gz HVCJOZWDBMQEPW-QZTJIDSGSA-N 2 0 320.502 2.629 20 0 DFADRP COc1cc(OC)c(CN(C)C[C@H]2CCC[N@H+](C)C2)cc1F ZINC000651616671 430831338 /nfs/dbraw/zinc/83/13/38/430831338.db2.gz IVOGUIGJBUFGCQ-ZDUSSCGKSA-N 2 0 310.413 2.617 20 0 DFADRP C[C@H]([NH2+]CC1CC[NH+](Cc2ccncc2)CC1)C1CCOCC1 ZINC000658166814 430832766 /nfs/dbraw/zinc/83/27/66/430832766.db2.gz PHMBGTGNCVOWBP-INIZCTEOSA-N 2 0 317.477 2.698 20 0 DFADRP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+][C@@H](C)C(C)(C)O)CC1 ZINC000648439874 430787152 /nfs/dbraw/zinc/78/71/52/430787152.db2.gz HDRPQIPCQKJJIO-CVEARBPZSA-N 2 0 304.478 2.831 20 0 DFADRP C[C@H]([NH2+]Cc1ccnc(C(F)(F)F)c1)C1CC[NH+](C)CC1 ZINC000651404592 430789582 /nfs/dbraw/zinc/78/95/82/430789582.db2.gz UGZDJKCIFDMDPP-NSHDSACASA-N 2 0 301.356 2.920 20 0 DFADRP CO[C@@H]1[C@@H](C)[C@@H]([NH2+]CC2CC[NH+](C3CCOCC3)CC2)C1(C)C ZINC000658068743 430797834 /nfs/dbraw/zinc/79/78/34/430797834.db2.gz YTKMPJCIJGJMND-BMGDILEWSA-N 2 0 324.509 2.527 20 0 DFADRP C[C@H]([NH2+]CC1CC[NH+](C2CCOCC2)CC1)c1cccc(O)c1 ZINC000658068685 430797879 /nfs/dbraw/zinc/79/78/79/430797879.db2.gz YCOAPJAMSXJPRR-HNNXBMFYSA-N 2 0 318.461 2.934 20 0 DFADRP C[C@H](Cc1ccoc1)[NH2+]CC1CC[NH+](C2CCOCC2)CC1 ZINC000658070123 430797911 /nfs/dbraw/zinc/79/79/11/430797911.db2.gz LXHMNYWKSNCKPG-OAHLLOKOSA-N 2 0 306.450 2.691 20 0 DFADRP COC1(C[C@@H](C)[NH2+]CC2CC[NH+](C3CCOCC3)CC2)CCC1 ZINC000658069804 430798436 /nfs/dbraw/zinc/79/84/36/430798436.db2.gz IJPARUFQPNMMHL-MRXNPFEDSA-N 2 0 324.509 2.815 20 0 DFADRP CO[C@H](C[NH2+]C1CC[NH+]([C@@H]2CCCC[C@@H]2C)CC1)[C@H]1CCOC1 ZINC000658075105 430801225 /nfs/dbraw/zinc/80/12/25/430801225.db2.gz WAJGPHYFDJYWSW-RNIPGJKVSA-N 2 0 324.509 2.671 20 0 DFADRP COC[C@H](CC[NH2+]C1CC[NH+]([C@@H]2CCCC[C@@H]2C)CC1)OC ZINC000658083770 430803007 /nfs/dbraw/zinc/80/30/07/430803007.db2.gz BZUKFVDUWMKQCO-RYQLBKOJSA-N 2 0 312.498 2.671 20 0 DFADRP COC[C@H](CC[NH2+]C1CC[NH+]([C@@H]2CCC[C@H](C)C2)CC1)OC ZINC000658085428 430806857 /nfs/dbraw/zinc/80/68/57/430806857.db2.gz XFBPAFRTGVWVJE-JQHSSLGASA-N 2 0 312.498 2.671 20 0 DFADRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@H]1CCCc2ccccc2C1 ZINC000648500766 430808567 /nfs/dbraw/zinc/80/85/67/430808567.db2.gz GNVMDIFKVSYOOV-RBUKOAKNSA-N 2 0 304.478 2.880 20 0 DFADRP CC[C@@]1(C)CCC[C@H]1[NH2+]Cc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000651673576 430846533 /nfs/dbraw/zinc/84/65/33/430846533.db2.gz PEACFPWXOOIYNA-MJGOQNOKSA-N 2 0 316.493 2.892 20 0 DFADRP CO[C@H](C[NH2+]C1CC[NH+](CC(C)C)CC1)Cc1ccccc1 ZINC000648653741 430846664 /nfs/dbraw/zinc/84/66/64/430846664.db2.gz AMRYAOKDRYMZDH-IBGZPJMESA-N 2 0 304.478 2.954 20 0 DFADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@H](CO)CC1CC1 ZINC000658246680 430850623 /nfs/dbraw/zinc/85/06/23/430850623.db2.gz FVIDEUHKXOLOOC-NSISKUIASA-N 2 0 316.489 2.895 20 0 DFADRP C[C@H]([NH2+][C@@H]1C[C@@H](O)C12CCC2)c1ccc(OCC[NH+](C)C)cc1 ZINC000658250439 430853617 /nfs/dbraw/zinc/85/36/17/430853617.db2.gz FGHPSOLJEXLEGW-BMGDILEWSA-N 2 0 318.461 2.581 20 0 DFADRP Cc1cncc(CC[NH2+]C2CC[NH+]([C@H]3CCCC[C@H]3C)CC2)n1 ZINC000658263269 430857011 /nfs/dbraw/zinc/85/70/11/430857011.db2.gz ZSCUOFUDDSLRAI-BEFAXECRSA-N 2 0 316.493 2.960 20 0 DFADRP c1cc2c(c(C[NH2+]C3CC[NH+](C[C@@H]4CCOC4)CC3)c1)CCC2 ZINC000651719109 430858171 /nfs/dbraw/zinc/85/81/71/430858171.db2.gz JQMOKUHGWBGJRK-INIZCTEOSA-N 2 0 314.473 2.766 20 0 DFADRP CCCN1CC[C@@H]([NH2+][C@H](C)c2ccc(OCC[NH+](C)C)cc2)C1 ZINC000658287895 430862671 /nfs/dbraw/zinc/86/26/71/430862671.db2.gz ONESBTZSCDTMIK-SJLPKXTDSA-N 2 0 319.493 2.762 20 0 DFADRP FC(F)(F)[C@H](C[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1)OC1CCCC1 ZINC000665239651 430865849 /nfs/dbraw/zinc/86/58/49/430865849.db2.gz WMROAMURWLIICF-BHPKHCPMSA-N 2 0 320.399 2.854 20 0 DFADRP FC(F)(F)[C@H](C[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)OC1CCCC1 ZINC000665239652 430865857 /nfs/dbraw/zinc/86/58/57/430865857.db2.gz WMROAMURWLIICF-COMQUAJESA-N 2 0 320.399 2.854 20 0 DFADRP Cc1ccncc1CC[NH2+][C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000665239817 430866368 /nfs/dbraw/zinc/86/63/68/430866368.db2.gz ZXUYYTQLMQLSFA-QUCCMNQESA-N 2 0 323.440 2.778 20 0 DFADRP C[C@@H](NCC1([NH3+])CCCC1)c1ccc(OCC[NH+](C)C)cc1 ZINC000665249767 430867355 /nfs/dbraw/zinc/86/73/55/430867355.db2.gz YTQCTAMTHCNITR-OAHLLOKOSA-N 2 0 305.466 2.549 20 0 DFADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NCC1([NH3+])CCCC1 ZINC000665249575 430868315 /nfs/dbraw/zinc/86/83/15/430868315.db2.gz TTZZWCCVNZYFBY-AEFFLSMTSA-N 2 0 301.478 2.758 20 0 DFADRP Cc1ncsc1CC[NH2+]Cc1ccc(OCC[NH+](C)C)cc1 ZINC000648722542 430868606 /nfs/dbraw/zinc/86/86/06/430868606.db2.gz DRRCCFSLUHKIEQ-UHFFFAOYSA-N 2 0 319.474 2.724 20 0 DFADRP COCc1csc(C[NH2+][C@H](C)c2ccc(C[NH3+])nc2C)c1 ZINC000665263643 430874621 /nfs/dbraw/zinc/87/46/21/430874621.db2.gz QWCCPTNXYUANLN-LLVKDONJSA-N 2 0 305.447 2.907 20 0 DFADRP Fc1ccc2c(c1)OC[C@H]([NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1)C2 ZINC000665266693 430876341 /nfs/dbraw/zinc/87/63/41/430876341.db2.gz HXJLBKQDROITTA-WCXIOVBPSA-N 2 0 304.409 2.640 20 0 DFADRP C[C@]1(C[NH2+][C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)CC1(F)F ZINC000665267523 430876673 /nfs/dbraw/zinc/87/66/73/430876673.db2.gz YHBWDPQQUXNEDS-BMFZPTHFSA-N 2 0 308.372 2.877 20 0 DFADRP c1ccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@@H](NCC24CC(C2)C[NH2+]4)C3)cc1 ZINC000665278344 430881271 /nfs/dbraw/zinc/88/12/71/430881271.db2.gz BPOOERVBMTUCAL-NNUJQTDSSA-N 2 0 311.473 2.524 20 0 DFADRP COc1ccccc1-c1cc(C[NH2+]C2CCC(C[NH3+])CC2)on1 ZINC000665299305 430889596 /nfs/dbraw/zinc/88/95/96/430889596.db2.gz KEKPSSPNCNLEFH-UHFFFAOYSA-N 2 0 315.417 2.957 20 0 DFADRP C[C@H]([NH2+]CC1CC[NH+](CC2CC2)CC1)c1cc2n(n1)CCCC2 ZINC000658353746 430882655 /nfs/dbraw/zinc/88/26/55/430882655.db2.gz QXNHIQCMDJMQNP-HNNXBMFYSA-N 2 0 316.493 2.992 20 0 DFADRP CC[C@H](Cc1ccc(Br)cc1)[NH2+][C@H](C)C1C[NH2+]C1 ZINC000665283048 430882921 /nfs/dbraw/zinc/88/29/21/430882921.db2.gz GNBJGKIQKQHIBL-IAQYHMDHSA-N 2 0 311.267 2.968 20 0 DFADRP CCC[C@@H](C)[C@@H](CC)[NH2+]C1CCN(C(=O)CCC[NH2+]C)CC1 ZINC000665287225 430883578 /nfs/dbraw/zinc/88/35/78/430883578.db2.gz FSPGUVMFPSDPFH-NVXWUHKLSA-N 2 0 311.514 2.781 20 0 DFADRP C[C@H]([NH2+]C(C)(C)CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)c1ccccc1 ZINC000648768106 430885362 /nfs/dbraw/zinc/88/53/62/430885362.db2.gz PZKMQKYJOPYSMA-ZMSDIMECSA-N 2 0 317.477 2.572 20 0 DFADRP COC[C@@H](Cc1ccccc1)[NH2+]CC1CC[NH+](CC2CC2)CC1 ZINC000658357923 430885351 /nfs/dbraw/zinc/88/53/51/430885351.db2.gz WGFCAIKMADLMQX-HXUWFJFHSA-N 2 0 316.489 2.956 20 0 DFADRP CC[C@@H]1C[C@@H](C)CC[C@H]1[NH2+]C1CCN(C(=O)CCC[NH2+]C)CC1 ZINC000665287949 430886937 /nfs/dbraw/zinc/88/69/37/430886937.db2.gz ZEVUXIUDOSITKZ-LZLYRXPVSA-N 2 0 323.525 2.781 20 0 DFADRP CCCC[C@H](C)[C@H](C)[NH2+]C1CCN(C(=O)CCC[NH2+]C)CC1 ZINC000665289680 430887242 /nfs/dbraw/zinc/88/72/42/430887242.db2.gz USFHQQKCSTUAFC-HOTGVXAUSA-N 2 0 311.514 2.781 20 0 DFADRP [NH3+]Cc1cc(=O)[nH]c(C[NH2+][C@H]2CCCC[C@@H]2C2CCCCC2)n1 ZINC000665291647 430887391 /nfs/dbraw/zinc/88/73/91/430887391.db2.gz HGBFMPMCQKIQKD-CVEARBPZSA-N 2 0 318.465 2.870 20 0 DFADRP CC[C@H]1C[N@H+](CC)CCN1Cc1ccc(OCC[NH+](C)C)cc1 ZINC000648775152 430887624 /nfs/dbraw/zinc/88/76/24/430887624.db2.gz VSNJYYZKGYJHND-SFHVURJKSA-N 2 0 319.493 2.543 20 0 DFADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CCC[C@H](C)O2)[C@@H](C)C1 ZINC000658217511 430842067 /nfs/dbraw/zinc/84/20/67/430842067.db2.gz FIGWAXIOERXLAK-XSLAGTTESA-N 2 0 312.498 2.671 20 0 DFADRP CC(C)[N@H+](C)C[C@@H](O)CN(Cc1ccccc1F)CC1CC1 ZINC000661793666 430843022 /nfs/dbraw/zinc/84/30/22/430843022.db2.gz QNGNWBCAEPQGGA-QGZVFWFLSA-N 2 0 308.441 2.739 20 0 DFADRP C([NH2+][C@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1)[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000665299637 430891881 /nfs/dbraw/zinc/89/18/81/430891881.db2.gz QRPZPNGGUNSYNE-XWSJACJDSA-N 3 0 305.510 2.619 20 0 DFADRP C([NH2+][C@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1)C1CC[NH+](CC2CC2)CC1 ZINC000665299561 430891917 /nfs/dbraw/zinc/89/19/17/430891917.db2.gz PIPRVFJLVYWOOA-QYZOEREBSA-N 3 0 305.510 2.619 20 0 DFADRP CC(C)C[N@H+](C)CCC[NH2+]C1CCN(CC(F)(F)F)CC1 ZINC000651865613 430896700 /nfs/dbraw/zinc/89/67/00/430896700.db2.gz ANKZJQVOPSHXML-UHFFFAOYSA-N 2 0 309.420 2.581 20 0 DFADRP CC1(C)COC[C@H]1[NH2+]Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000648795030 430896875 /nfs/dbraw/zinc/89/68/75/430896875.db2.gz YPXPKLRMBAGIBP-GOSISDBHSA-N 2 0 318.461 2.676 20 0 DFADRP CC(C)C[N@H+](C)CCC[NH2+]C1CCN(c2nccs2)CC1 ZINC000651865973 430898532 /nfs/dbraw/zinc/89/85/32/430898532.db2.gz PDGXUGWNEXTGEA-UHFFFAOYSA-N 2 0 310.511 2.679 20 0 DFADRP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+]1CCC[C@@H](OC(C)C)C1 ZINC000651897941 430908667 /nfs/dbraw/zinc/90/86/67/430908667.db2.gz OSODSWUNTNNGMZ-GOSISDBHSA-N 2 0 314.433 2.965 20 0 DFADRP CCO[C@@H]1CCC[C@H]1[NH2+]Cc1ccc(OCC[NH+](C)C)cc1 ZINC000648855033 430915368 /nfs/dbraw/zinc/91/53/68/430915368.db2.gz CNTCRAGNPJZRFQ-QZTJIDSGSA-N 2 0 306.450 2.674 20 0 DFADRP CO[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(OCC[NH+](C)C)cc1 ZINC000651950644 430924098 /nfs/dbraw/zinc/92/40/98/430924098.db2.gz JOERRLUHJAUUST-QZTJIDSGSA-N 2 0 306.450 2.674 20 0 DFADRP CCC(C)(C)[NH+]1CCN(C(=O)c2cccc(C[NH+](C)C)c2)CC1 ZINC000655272663 430946730 /nfs/dbraw/zinc/94/67/30/430946730.db2.gz VPIWAROEDQOSCI-UHFFFAOYSA-N 2 0 317.477 2.695 20 0 DFADRP O=C(N[C@@H]1CCC[N@@H+]2CCCC[C@H]12)[C@@H]1CCC[NH+]1C1CCCC1 ZINC000655353280 430972781 /nfs/dbraw/zinc/97/27/81/430972781.db2.gz SLUVHIDUZWIBGP-KURKYZTESA-N 2 0 319.493 2.527 20 0 DFADRP O=C(N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12)[C@@H]1CCC[NH+]1C1CCCC1 ZINC000655353282 430972869 /nfs/dbraw/zinc/97/28/69/430972869.db2.gz SLUVHIDUZWIBGP-SQNIBIBYSA-N 2 0 319.493 2.527 20 0 DFADRP O[C@@H]1CC[N@@H+](C2CC[NH+](CC[C@H]3CCc4ccccc43)CC2)C1 ZINC000662148403 430980335 /nfs/dbraw/zinc/98/03/35/430980335.db2.gz KAPZEGGXCMJYHF-IEBWSBKVSA-N 2 0 314.473 2.638 20 0 DFADRP C[C@@H](CCc1ccccc1)[NH+]1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000662160074 430982490 /nfs/dbraw/zinc/98/24/90/430982490.db2.gz MFEHNNUDKHPOHM-QFBILLFUSA-N 2 0 302.462 2.539 20 0 DFADRP CCCN(C(=O)C[C@H](c1ccccc1)[NH+](C)C)[C@@H]1CC[N@H+](C)C1 ZINC000648996657 430963486 /nfs/dbraw/zinc/96/34/86/430963486.db2.gz XLRDWZBSOCKJRE-QZTJIDSGSA-N 2 0 317.477 2.622 20 0 DFADRP CCCN(C(=O)[C@H]1CC[NH+](C2CCCCC2)C1)[C@H]1CC[N@H+](C)C1 ZINC000648998209 430964698 /nfs/dbraw/zinc/96/46/98/430964698.db2.gz GVXMHIILXPPHDB-WMZOPIPTSA-N 2 0 321.509 2.584 20 0 DFADRP [NH3+]C[C@@H](NC(=O)C1([NH3+])CC2(CCC2)C1)c1ccc2ccccc2c1 ZINC000659308491 431019643 /nfs/dbraw/zinc/01/96/43/431019643.db2.gz UILQVLNTCXJILW-QGZVFWFLSA-N 2 0 323.440 2.617 20 0 DFADRP Cc1ccccc1C[C@H]1CCC[N@@H+]1C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662258108 431019723 /nfs/dbraw/zinc/01/97/23/431019723.db2.gz SCGYBKRWJNMUNQ-QZTJIDSGSA-N 2 0 300.446 2.523 20 0 DFADRP Cc1cccc(C2([NH2+]C[C@@H]3CCC4(C[NH2+]C4)O3)CCCC2)c1 ZINC000662258596 431019952 /nfs/dbraw/zinc/01/99/52/431019952.db2.gz KVFBESMWEXAABN-KRWDZBQOSA-N 2 0 300.446 2.875 20 0 DFADRP [NH3+][C@@H]1CCC[C@H]2CN(Cc3cc(F)ccc3OC(F)F)C[C@H]21 ZINC000662264540 431020910 /nfs/dbraw/zinc/02/09/10/431020910.db2.gz DQQMJUBIRGAZDP-ZLKJLUDKSA-N 2 0 314.351 2.986 20 0 DFADRP Cc1nccn1[C@@H]1CCC[N@H+](Cc2cccc3c2CC[NH2+]C3)C1 ZINC000662265750 431022028 /nfs/dbraw/zinc/02/20/28/431022028.db2.gz ZACRHCNULHBYSA-GOSISDBHSA-N 2 0 310.445 2.674 20 0 DFADRP C[NH+](C)CCN(C(=O)C[C@H]1[NH2+]Cc2ccccc21)C1CCCC1 ZINC000659316674 431022435 /nfs/dbraw/zinc/02/24/35/431022435.db2.gz QJGUBVLWBXUTDG-GOSISDBHSA-N 2 0 315.461 2.554 20 0 DFADRP CN(CC[C@H]1CCCC[N@@H+]1C)Cc1cccc2c1CC[NH2+]C2 ZINC000662262332 431022609 /nfs/dbraw/zinc/02/26/09/431022609.db2.gz FTUSUUUKMFNNNW-GOSISDBHSA-N 2 0 301.478 2.639 20 0 DFADRP COc1ccc(C2CC[NH+](CC[C@H]3CCC[NH2+]C3)CC2)nc1 ZINC000652344604 431025339 /nfs/dbraw/zinc/02/53/39/431025339.db2.gz QNJXLJYLPBZTOM-OAHLLOKOSA-N 2 0 303.450 2.659 20 0 DFADRP C[NH2+]C[C@@](C)(O)C[NH2+][C@H](c1cccc(C(F)(F)F)c1)C1CC1 ZINC000652341538 431025975 /nfs/dbraw/zinc/02/59/75/431025975.db2.gz XFFANAOSSSRMQZ-LSDHHAIUSA-N 2 0 316.367 2.717 20 0 DFADRP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCC[N@H+](CCCc3cccc(F)c3)C2)C1 ZINC000652349468 431027131 /nfs/dbraw/zinc/02/71/31/431027131.db2.gz PHLBVHNNUYXTQE-BHIYHBOVSA-N 2 0 320.452 2.977 20 0 DFADRP CCn1c2ccc(F)cc2nc1CN1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000652352381 431027692 /nfs/dbraw/zinc/02/76/92/431027692.db2.gz NQMUUOHSHXEBGV-UGSOOPFHSA-N 2 0 316.424 2.756 20 0 DFADRP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCC[N@H+](CCCCC(F)(F)F)C2)C1 ZINC000652350266 431027873 /nfs/dbraw/zinc/02/78/73/431027873.db2.gz OQZTUGMZHNMKLX-BFHYXJOUSA-N 2 0 308.388 2.937 20 0 DFADRP CCC(C)(C)[NH+]1CCN(C(=O)c2ccc([C@H](C)[NH3+])cc2)CC1 ZINC000655495829 431029169 /nfs/dbraw/zinc/02/91/69/431029169.db2.gz XISQYWQUSBWROC-AWEZNQCLSA-N 2 0 303.450 2.653 20 0 DFADRP CC(C)N(C(=O)C[N@@H+]1CCC[C@H](C)[C@@H]1CC[NH3+])C1CCCC1 ZINC000652355056 431030350 /nfs/dbraw/zinc/03/03/50/431030350.db2.gz OCTMXKUPAMPTKD-RDJZCZTQSA-N 2 0 309.498 2.615 20 0 DFADRP C[C@H]1CCC[N@H+](CCc2nc(-c3ccccc3)no2)[C@H]1CC[NH3+] ZINC000652355198 431030938 /nfs/dbraw/zinc/03/09/38/431030938.db2.gz QUCIVOOZCCGHCZ-HOCLYGCPSA-N 2 0 314.433 2.728 20 0 DFADRP CCn1cc(C[N@H+](Cc2ccc3c(c2)C[NH2+]CC3)C(C)C)cn1 ZINC000652358414 431031546 /nfs/dbraw/zinc/03/15/46/431031546.db2.gz BHOBAHDVOHFUFV-UHFFFAOYSA-N 2 0 312.461 2.959 20 0 DFADRP c1ccc([C@@H]2C[C@H]3[C@H](CCC[N@H+]3CC[C@H]3CC[NH2+]C3)O2)cc1 ZINC000652364263 431031954 /nfs/dbraw/zinc/03/19/54/431031954.db2.gz BUOBUQJGFKPILF-BVBHFADKSA-N 2 0 300.446 2.981 20 0 DFADRP CO[C@H](C[NH+]1CCC([C@H]2C[C@@H]([NH3+])CCO2)CC1)C1CCCCC1 ZINC000662280419 431031955 /nfs/dbraw/zinc/03/19/55/431031955.db2.gz DMEYTAGRAPHGQJ-IPMKNSEASA-N 2 0 324.509 2.800 20 0 DFADRP CC(C)c1cccc(C[N@@H+]2CCC[C@@H](n3cc(C[NH3+])nn3)C2)c1 ZINC000662282633 431032038 /nfs/dbraw/zinc/03/20/38/431032038.db2.gz PNSXQTRLBTZZAV-GOSISDBHSA-N 2 0 313.449 2.697 20 0 DFADRP Cc1cccc(OCC[N@@H+]2CCCC[C@@H]2[C@@H]2C[C@H]([NH3+])CCO2)c1 ZINC000652360827 431032505 /nfs/dbraw/zinc/03/25/05/431032505.db2.gz RGAQDIBBUZGWPB-QRQLOZEOSA-N 2 0 318.461 2.735 20 0 DFADRP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCC[N@@H+]2CCOCc2ccccc2)C1 ZINC000662282562 431032933 /nfs/dbraw/zinc/03/29/33/431032933.db2.gz CGMYFESBKLMAIA-QYZOEREBSA-N 2 0 318.461 2.564 20 0 DFADRP Cc1ccc(CC[N@@H+]2CCCC[C@@H]2[C@@H]2C[C@H]([NH3+])CCO2)cc1 ZINC000652362863 431033285 /nfs/dbraw/zinc/03/32/85/431033285.db2.gz RKCBCEAYKUTCAX-QRVBRYPASA-N 2 0 302.462 2.898 20 0 DFADRP CC1(C)CCCC[C@@H]1C[N@@H+]1CCC[C@@H](n2cc(C[NH3+])nn2)C1 ZINC000662280078 431033573 /nfs/dbraw/zinc/03/35/73/431033573.db2.gz CFQJDJBJRFNDQL-GDBMZVCRSA-N 2 0 305.470 2.590 20 0 DFADRP C(c1noc2c1CCCC2)[NH+]1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000662291533 431035996 /nfs/dbraw/zinc/03/59/96/431035996.db2.gz HRZCPGYAOVEZDM-HNNXBMFYSA-N 2 0 303.450 2.765 20 0 DFADRP CO[C@H](C[N@@H+]1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1)C1CCCCC1 ZINC000662286185 431036186 /nfs/dbraw/zinc/03/61/86/431036186.db2.gz PJQHGVBJIUVONS-ZSYWTGECSA-N 2 0 324.509 2.800 20 0 DFADRP c1cc(CC[NH+]2CCC([C@@H]3CCC[NH2+]C3)CC2)cc2c1OCC2 ZINC000662291148 431036401 /nfs/dbraw/zinc/03/64/01/431036401.db2.gz BVSUDSLOTURKIJ-LJQANCHMSA-N 2 0 314.473 2.876 20 0 DFADRP CN(CC[N@@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1)c1ccccc1 ZINC000662295607 431038188 /nfs/dbraw/zinc/03/81/88/431038188.db2.gz VSCCXGFEODRSLT-GOSISDBHSA-N 2 0 301.478 2.834 20 0 DFADRP CC(C)N(C(=O)[C@H](C)[N@@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1)C(C)C ZINC000662296847 431038195 /nfs/dbraw/zinc/03/81/95/431038195.db2.gz NXPCUYPDSKYMPP-FUHWJXTLSA-N 2 0 323.525 2.732 20 0 DFADRP COc1cccc(OCC[NH+]2CCC([C@H]3CCC[NH2+]C3)CC2)c1 ZINC000662295407 431038307 /nfs/dbraw/zinc/03/83/07/431038307.db2.gz ZXVRRPXFPBDUQX-KRWDZBQOSA-N 2 0 318.461 2.786 20 0 DFADRP COc1ccc2c(c1)CC[N@@H+](Cc1ccc3c(c1)C[NH2+]CC3)C2 ZINC000662310816 431041613 /nfs/dbraw/zinc/04/16/13/431041613.db2.gz NGMYPYBHVFBSKO-UHFFFAOYSA-N 2 0 308.425 2.899 20 0 DFADRP Fc1ccccc1C[N@H+](CC1CC1)C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662310254 431041689 /nfs/dbraw/zinc/04/16/89/431041689.db2.gz IYJMJPMSCOUUEV-INIZCTEOSA-N 2 0 304.409 2.559 20 0 DFADRP C[C@@H]1CCC[N@@H+](CC(=O)N[C@H]2CCCC[C@H]2C)[C@@H]1CCC[NH3+] ZINC000662313353 431044346 /nfs/dbraw/zinc/04/43/46/431044346.db2.gz LAFLMMPSZPVKAL-WCXIOVBPSA-N 2 0 309.498 2.521 20 0 DFADRP C[NH+](C)CCC[C@@H]1C[N@H+](CCCOc2ccc(F)cc2)CCO1 ZINC000662321181 431045588 /nfs/dbraw/zinc/04/55/88/431045588.db2.gz YUBOWPFBMDNHOI-GOSISDBHSA-N 2 0 324.440 2.637 20 0 DFADRP C[NH+](C)CCC[C@@H]1C[N@H+](CCCCOC(C)(C)C)CCO1 ZINC000662322828 431046088 /nfs/dbraw/zinc/04/60/88/431046088.db2.gz ITNIMUQEVRTOJN-MRXNPFEDSA-N 2 0 300.487 2.624 20 0 DFADRP Cc1ccccc1OCCC[N@@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000662323869 431046578 /nfs/dbraw/zinc/04/65/78/431046578.db2.gz SLZAYXZZYSIGIF-SFHVURJKSA-N 2 0 320.477 2.807 20 0 DFADRP COc1ccccc1CCC[N@@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000662325675 431047102 /nfs/dbraw/zinc/04/71/02/431047102.db2.gz PGOWQBLSQSLOBH-SFHVURJKSA-N 2 0 320.477 2.670 20 0 DFADRP [NH3+]C1(CC(=O)Nc2ccc(CC[NH+]3CCCCC3)cc2)CCC1 ZINC000645674585 431047963 /nfs/dbraw/zinc/04/79/63/431047963.db2.gz WALPHVFRBIEZBB-UHFFFAOYSA-N 2 0 315.461 2.925 20 0 DFADRP COc1ccc([C@H](C)C[N@@H+]2CCO[C@H](CCC[NH+](C)C)C2)cc1 ZINC000662325071 431048141 /nfs/dbraw/zinc/04/81/41/431048141.db2.gz BLWLLUGAZBGMOF-VQIMIIECSA-N 2 0 320.477 2.841 20 0 DFADRP CC[C@H]([NH2+]C)C(=O)NCc1ccccc1C[N@@H+]1CCCC[C@H]1C ZINC000662387115 431070125 /nfs/dbraw/zinc/07/01/25/431070125.db2.gz BMSBYCHXMWTHIU-QAPCUYQASA-N 2 0 317.477 2.675 20 0 DFADRP CC1CC[NH+](CCCNC(=O)[C@@H]([NH3+])c2cccc(Cl)c2)CC1 ZINC000649281565 431056145 /nfs/dbraw/zinc/05/61/45/431056145.db2.gz UEBQHHHBAJXDNU-INIZCTEOSA-N 2 0 323.868 2.578 20 0 DFADRP C[NH+](C)C[C@H](NC(=O)C[C@@H]1[NH2+]Cc2ccccc21)c1ccccc1 ZINC000662356150 431056247 /nfs/dbraw/zinc/05/62/47/431056247.db2.gz NCHXPQHCRGYXOS-OALUTQOASA-N 2 0 323.440 2.640 20 0 DFADRP C[N@H+](CCNC(=O)[C@@H]([NH3+])c1cccc(Cl)c1)C1CCCCC1 ZINC000649294021 431058003 /nfs/dbraw/zinc/05/80/03/431058003.db2.gz ZKZJGYCIUOPDPG-INIZCTEOSA-N 2 0 323.868 2.721 20 0 DFADRP CC(C)([NH3+])CCC(=O)N[C@@H](C[NH+]1CCCCC1)c1ccccc1 ZINC000649293800 431058448 /nfs/dbraw/zinc/05/84/48/431058448.db2.gz JDYFRPJMRSHZFT-KRWDZBQOSA-N 2 0 317.477 2.847 20 0 DFADRP C[NH+](C)Cc1ccc(NC(=O)C[C@@H]2[NH2+]Cc3ccccc32)cc1 ZINC000662375662 431063843 /nfs/dbraw/zinc/06/38/43/431063843.db2.gz QYJLGYFIUSWHQA-SFHVURJKSA-N 2 0 309.413 2.921 20 0 DFADRP CC(C)[C@H]([NH3+])CC(=O)Nc1ccc2ccn(CC[NH+](C)C)c2c1 ZINC000649338915 431068970 /nfs/dbraw/zinc/06/89/70/431068970.db2.gz NLJWYCVNNZWIAP-MRXNPFEDSA-N 2 0 316.449 2.515 20 0 DFADRP CC[NH+](CC)[C@@H](C)CNC(=O)CC[C@H]([NH3+])CC1CCCCC1 ZINC000645472774 431012720 /nfs/dbraw/zinc/01/27/20/431012720.db2.gz KTYKRGMNSOYCTA-RDJZCZTQSA-N 2 0 311.514 2.911 20 0 DFADRP C[NH2+]CC1CC[NH+](CCSc2ccc(F)cc2F)CC1 ZINC000662247541 431013396 /nfs/dbraw/zinc/01/33/96/431013396.db2.gz XCMRWSZRMZUYFA-UHFFFAOYSA-N 2 0 300.418 2.988 20 0 DFADRP c1ccc(CC[C@H]2CCC[N@@H+]2C[C@@H]2CCC3(C[NH2+]C3)O2)cc1 ZINC000662251106 431014543 /nfs/dbraw/zinc/01/45/43/431014543.db2.gz YWUUMXVSCNPRPH-MSOLQXFVSA-N 2 0 300.446 2.605 20 0 DFADRP C[C@@H]1SCC[N@H+](C[C@@H]2CCC3(C[NH2+]C3)O2)[C@H]1c1ccccc1 ZINC000662254975 431017027 /nfs/dbraw/zinc/01/70/27/431017027.db2.gz NDDBVYOZPUSBGL-BHYGNILZSA-N 2 0 318.486 2.686 20 0 DFADRP C[N@H+](CCCOc1ccc(Cl)cc1)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662254002 431017101 /nfs/dbraw/zinc/01/71/01/431017101.db2.gz YCLYAIVDCHMBEN-MRXNPFEDSA-N 2 0 324.852 2.562 20 0 DFADRP Clc1ccccc1C[C@H]1CCC[N@@H+]1C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662253022 431017199 /nfs/dbraw/zinc/01/71/99/431017199.db2.gz GLHHJFKKGKDQEZ-HZPDHXFCSA-N 2 0 320.864 2.868 20 0 DFADRP C[C@H]([NH2+]CCC1(CO)CCC1)c1cccc(OCC[NH+](C)C)c1 ZINC000652310446 431017683 /nfs/dbraw/zinc/01/76/83/431017683.db2.gz HBWTWJBUVATOJB-INIZCTEOSA-N 2 0 320.477 2.830 20 0 DFADRP C[C@@H]1CC(C)(C)C[C@@](CO)([NH2+]Cc2cccc3c2CC[NH2+]C3)C1 ZINC000662258545 431018493 /nfs/dbraw/zinc/01/84/93/431018493.db2.gz JRXKZVMEENCPHZ-QRWLVFNGSA-N 2 0 316.489 2.999 20 0 DFADRP Cc1ccc([C@@H]2CSCC[N@@H+]2C[C@H]2CCC3(C[NH2+]C3)O2)cc1 ZINC000662256290 431019367 /nfs/dbraw/zinc/01/93/67/431019367.db2.gz UUNLQYCBXVKKRY-SJORKVTESA-N 2 0 318.486 2.606 20 0 DFADRP C[C@@H]1CC[C@@H](Nc2c[nH+]ccc2N2CC[NH+](C)CC2)CS1 ZINC000655749647 431112885 /nfs/dbraw/zinc/11/28/85/431112885.db2.gz VZDSJDVZWGKKTH-ZIAGYGMSSA-N 2 0 306.479 2.529 20 0 DFADRP CCC(C)(C)[NH+]1CCN(C(=O)C[C@H]2[NH2+]Cc3ccccc32)CC1 ZINC000662585238 431122161 /nfs/dbraw/zinc/12/21/61/431122161.db2.gz SYUFZGNKALELFO-QGZVFWFLSA-N 2 0 315.461 2.554 20 0 DFADRP CCCC[NH+]1CCC(NC(=O)C[C@@H]2[NH2+]Cc3ccccc32)CC1 ZINC000662419274 431075916 /nfs/dbraw/zinc/07/59/16/431075916.db2.gz XSDXFYJQMCFFSX-SFHVURJKSA-N 2 0 315.461 2.602 20 0 DFADRP C[N@H+](CCNC(=O)C[C@H]1[NH2+]Cc2ccccc21)C1CCCCC1 ZINC000662414503 431076278 /nfs/dbraw/zinc/07/62/78/431076278.db2.gz AEPMHEAYDHJPOA-GOSISDBHSA-N 2 0 315.461 2.602 20 0 DFADRP CC(C)C[N@H+](C)CCCNC(=O)CC[NH+](C)C1CCCCC1 ZINC000652523040 431079680 /nfs/dbraw/zinc/07/96/80/431079680.db2.gz CZZVFTZQTIRGCG-UHFFFAOYSA-N 2 0 311.514 2.735 20 0 DFADRP CCCC[N@@H+]1CCCC[C@H]1CNC(=O)c1cccc2c1C[NH2+]C2 ZINC000662428490 431080119 /nfs/dbraw/zinc/08/01/19/431080119.db2.gz CICPVJZLEQZAPS-INIZCTEOSA-N 2 0 315.461 2.674 20 0 DFADRP Cc1cc2c(c(C)c1)[C@H]([NH2+]C1CCN(CC[NH+](C)C)CC1)CC2 ZINC000655687459 431083190 /nfs/dbraw/zinc/08/31/90/431083190.db2.gz POWNZROUQHKCLL-LJQANCHMSA-N 2 0 315.505 2.906 20 0 DFADRP Cc1cc2c(c(C)c1)[C@H]([NH2+]CCCC[NH+]1CCN(C)CC1)CC2 ZINC000655688882 431083839 /nfs/dbraw/zinc/08/38/39/431083839.db2.gz PDRBLPSPEDGBIM-LJQANCHMSA-N 2 0 315.505 2.908 20 0 DFADRP CC(C)(C)[N@@H+]1CC[C@H](CNC(=O)CC[C@H]([NH3+])c2ccccc2)C1 ZINC000662589355 431125577 /nfs/dbraw/zinc/12/55/77/431125577.db2.gz BMZUILMLKLTFSM-WBVHZDCISA-N 2 0 317.477 2.703 20 0 DFADRP Cc1cc2c(c(C)c1)[C@H]([NH2+]C[C@H](C)CN1CC[NH+](C)CC1)CC2 ZINC000655708343 431091216 /nfs/dbraw/zinc/09/12/16/431091216.db2.gz HNYCDMTYNJQUMD-QFBILLFUSA-N 2 0 315.505 2.764 20 0 DFADRP Cc1noc(C)c1[C@H](C)NC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000655714635 431094494 /nfs/dbraw/zinc/09/44/94/431094494.db2.gz BLCICOAWNAUJNT-LRDDRELGSA-N 2 0 307.438 2.585 20 0 DFADRP CCN(C(=O)C[NH2+]C(C)C)[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000662503821 431099434 /nfs/dbraw/zinc/09/94/34/431099434.db2.gz XWWBWKUZLATXOL-WMZOPIPTSA-N 2 0 317.477 2.668 20 0 DFADRP Cc1nn(-c2ccccc2F)cc1C[NH2+]CCCC[NH+](C)C ZINC000655720616 431099771 /nfs/dbraw/zinc/09/97/71/431099771.db2.gz AVMPKAYBVVBOII-UHFFFAOYSA-N 2 0 304.413 2.751 20 0 DFADRP CC[NH+](CC)CCC[C@H](C)NC(=O)C[C@H]1[NH2+]Cc2ccccc21 ZINC000662523654 431104769 /nfs/dbraw/zinc/10/47/69/431104769.db2.gz QHZVCSCAIVPWRI-MAUKXSAKSA-N 2 0 317.477 2.848 20 0 DFADRP c1ccc(C[NH+]2C[C@H]3C[N@H+](CCC[C@@H]4CCOC4)C[C@H]3C2)cc1 ZINC000645895804 431104891 /nfs/dbraw/zinc/10/48/91/431104891.db2.gz NGSUYTMTXQVXOO-AQNXPRMDSA-N 2 0 314.473 2.867 20 0 DFADRP C[N@H+](CCc1c(F)cccc1F)C[C@H]1CCn2ccnc2C1 ZINC000645892753 431105241 /nfs/dbraw/zinc/10/52/41/431105241.db2.gz QKTPNWRMLBBCRC-ZDUSSCGKSA-N 2 0 305.372 2.898 20 0 DFADRP CC(C)C[C@H](C[NH3+])CC(=O)N1CCC[C@@H]([N@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC000662526545 431107204 /nfs/dbraw/zinc/10/72/04/431107204.db2.gz GYKSHIFDTOROKI-XWTMOSNGSA-N 2 0 323.525 2.861 20 0 DFADRP CC[N@H+](C)C[C@@H]1CCN([C@@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC000271257886 279037157 /nfs/dbraw/zinc/03/71/57/279037157.db2.gz HNKQEPZMTJAWNK-RBUKOAKNSA-N 2 0 301.478 2.535 20 0 DFADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]C[C@@H]1COC2(CCCCCC2)O1 ZINC000180010784 288107084 /nfs/dbraw/zinc/10/70/84/288107084.db2.gz NAYABOAAYANNEZ-QBPKDAKJSA-N 2 0 310.482 2.771 20 0 DFADRP CC[NH+](CC)[C@@H](C(=O)NCC[NH2+]C(C)(C)C)c1ccccc1 ZINC000097594212 279140674 /nfs/dbraw/zinc/14/06/74/279140674.db2.gz IMRFHPZMQQLDMK-MRXNPFEDSA-N 2 0 305.466 2.574 20 0 DFADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1sccc1C ZINC000299581187 279302990 /nfs/dbraw/zinc/30/29/90/279302990.db2.gz BAVHNNVQXYJYNT-OAHLLOKOSA-N 2 0 323.506 2.545 20 0 DFADRP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@H](C)c1nccc2ccccc21 ZINC000289948879 279312909 /nfs/dbraw/zinc/31/29/09/279312909.db2.gz WLOBPTJZNQQEAJ-HZPDHXFCSA-N 2 0 312.461 2.521 20 0 DFADRP CCCC[N@H+](C)CC1CC[NH+](CCO[C@H]2CC2(F)F)CC1 ZINC000659847742 431140426 /nfs/dbraw/zinc/14/04/26/431140426.db2.gz QMQLGFYMFZRSEK-HNNXBMFYSA-N 2 0 304.425 2.855 20 0 DFADRP C[C@H](C[NH2+][C@H]1CC(C)(C)c2ccccc21)N1CC[NH+](C)CC1 ZINC000178773908 279352466 /nfs/dbraw/zinc/35/24/66/279352466.db2.gz VSKNORCMJROXSE-QAPCUYQASA-N 2 0 301.478 2.635 20 0 DFADRP C[C@H](C[NH2+][C@H]1C[C@@H](c2ccccc2)C1(C)C)N1CC[NH+](C)CC1 ZINC000248657535 279354439 /nfs/dbraw/zinc/35/44/39/279354439.db2.gz XJCGRNUQHNFQKY-NEWSRXKRSA-N 2 0 315.505 2.794 20 0 DFADRP CC[C@@H](CC(F)F)C[NH+]1CCC(C[NH+]2CCOCC2)CC1 ZINC000659846438 431141273 /nfs/dbraw/zinc/14/12/73/431141273.db2.gz UUFHIMMDAQOIBY-AWEZNQCLSA-N 2 0 304.425 2.712 20 0 DFADRP C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)[C@@H](C)[C@H]([NH3+])c1ccccc1 ZINC000662693685 431164506 /nfs/dbraw/zinc/16/45/06/431164506.db2.gz LJFKOMIRLJXRNA-BQFCYCMXSA-N 2 0 317.477 2.559 20 0 DFADRP CO[C@H](C[N@@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1)[C@H]1CCOC1 ZINC000659878781 431171108 /nfs/dbraw/zinc/17/11/08/431171108.db2.gz QPDWLUBDTLOHJI-GBESFXJTSA-N 2 0 324.509 2.626 20 0 DFADRP COc1cc(C[NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)c(SC)cc1OC ZINC000655827638 431173861 /nfs/dbraw/zinc/17/38/61/431173861.db2.gz VULRXKJHGPDHRO-XBXGTLAGSA-N 2 0 324.490 2.856 20 0 DFADRP CCC(CC)(CNC(=O)[C@H]1C[C@H]([NH3+])C1)[NH2+][C@H](C)c1ccccc1 ZINC000662730511 431177614 /nfs/dbraw/zinc/17/76/14/431177614.db2.gz HOJNXLABIPUIHZ-DJIMGWMZSA-N 2 0 317.477 2.750 20 0 DFADRP C[N@H+](CCO)C1CC[NH+](C[C@@H]2CC[C@@H](c3ccccc3)C2)CC1 ZINC000659897272 431177853 /nfs/dbraw/zinc/17/78/53/431177853.db2.gz UEXHZVAXYHIDJC-IEBWSBKVSA-N 2 0 316.489 2.959 20 0 DFADRP CC[N@H+](C[C@@H](O)C[NH+](C)C(C)C)[C@H](C)Cc1ccc(OC)cc1 ZINC000659912116 431184010 /nfs/dbraw/zinc/18/40/10/431184010.db2.gz GJNFRHMTUMMLCY-AEFFLSMTSA-N 2 0 322.493 2.649 20 0 DFADRP CCCC[N@H+](CC)Cc1cccc(CNC(=O)[C@H]2C[C@H]([NH3+])C2)c1 ZINC000662751460 431185276 /nfs/dbraw/zinc/18/52/76/431185276.db2.gz BUAKNGMWLNMHAI-IYARVYRRSA-N 2 0 317.477 2.662 20 0 DFADRP C[NH+]1CCC2(CC1)C[N@@H+]([C@H]1CCCc3ccc(F)cc31)CCO2 ZINC000646105714 431187747 /nfs/dbraw/zinc/18/77/47/431187747.db2.gz DKZZSKHFXBFRHF-SFHVURJKSA-N 2 0 318.436 3.000 20 0 DFADRP C[C@H]1CCN(C[C@H]2CCC[N@@H+]2C)CC[NH+]1Cc1ccccc1 ZINC000649545751 431153693 /nfs/dbraw/zinc/15/36/93/431153693.db2.gz QPADWRSTWFARMZ-PKOBYXMFSA-N 2 0 301.478 2.677 20 0 DFADRP CCO[C@@H]1C[C@H]([NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)[C@@H]1Oc1ccccc1 ZINC000655805750 431157305 /nfs/dbraw/zinc/15/73/05/431157305.db2.gz RXYUISOKQOFNTG-BVRUVYRISA-N 2 0 318.461 2.541 20 0 DFADRP CC[NH+](CC)Cc1ccc(CNC(=O)[C@@H]2[NH2+]CCC2(C)C)cc1 ZINC000662670160 431157615 /nfs/dbraw/zinc/15/76/15/431157615.db2.gz ULYSHCUIXCKECK-KRWDZBQOSA-N 2 0 317.477 2.533 20 0 DFADRP CC[C@H](Cc1ccc(OC)c(OC)c1)[NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000655805206 431158321 /nfs/dbraw/zinc/15/83/21/431158321.db2.gz KTJNOXNYKZODIE-ZACQAIPSSA-N 2 0 320.477 2.955 20 0 DFADRP C[NH+](C)[C@H]1C[C@@H](C[NH2+]C2CCN(CCc3ccccc3)CC2)C1 ZINC000655805967 431158798 /nfs/dbraw/zinc/15/87/98/431158798.db2.gz OHESMGNNBPQAHZ-PUZFROQSSA-N 2 0 315.505 2.623 20 0 DFADRP C[C@H]([NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1)c1cnn(Cc2ccccc2)c1 ZINC000655805962 431159006 /nfs/dbraw/zinc/15/90/06/431159006.db2.gz NZZFCKJSOOGYBD-VDZJLULYSA-N 2 0 312.461 2.922 20 0 DFADRP CC(C)C[C@H](C[NH3+])CC(=O)NC[C@@H](C1CCCCC1)[NH+](C)C ZINC000662680004 431159088 /nfs/dbraw/zinc/15/90/88/431159088.db2.gz RHMDIIAHUDEFFQ-RDJZCZTQSA-N 2 0 311.514 2.624 20 0 DFADRP C[C@@H]1C[C@@H](C)C[NH+](CCN2CCC[N@@H+](C3CCCC3)CC2)C1 ZINC000659946021 431203371 /nfs/dbraw/zinc/20/33/71/431203371.db2.gz YTTDRDIKDRHKSN-QZTJIDSGSA-N 2 0 307.526 2.915 20 0 DFADRP CCN(C)[C@@H](C(=O)N(C)CC[NH+]1CCCCC1)c1ccccc1 ZINC000652989001 431216527 /nfs/dbraw/zinc/21/65/27/431216527.db2.gz RWSBHFDXVURGOH-GOSISDBHSA-N 2 0 317.477 2.624 20 0 DFADRP C[C@@H]1C[C@@H](C[NH2+]Cc2ccc(OCC[NH+](C)C)cc2)[C@@H](C)O1 ZINC000666429289 431226302 /nfs/dbraw/zinc/22/63/02/431226302.db2.gz KWHGEMNLNVWXGI-INMHGKMJSA-N 2 0 306.450 2.530 20 0 DFADRP C[C@@H]([NH3+])c1ccc(C(=O)NCC2CC[NH+](CC3CC3)CC2)cc1 ZINC000662972351 431246092 /nfs/dbraw/zinc/24/60/92/431246092.db2.gz OPZITURLEIXLEP-CQSZACIVSA-N 2 0 315.461 2.558 20 0 DFADRP C[C@@H]1C[C@H](CCNC(=O)CC(C)(C)[NH3+])C[N@@H+]1Cc1ccccc1 ZINC000646264407 431247643 /nfs/dbraw/zinc/24/76/43/431247643.db2.gz ZVIDXBDHANKCLV-WBVHZDCISA-N 2 0 317.477 2.531 20 0 DFADRP O=C(NCC1([NH+]2CCCCC2)CCCCC1)[C@@H]1CCC[NH2+]CC1 ZINC000653059185 431249968 /nfs/dbraw/zinc/24/99/68/431249968.db2.gz YDSKHLAJNYJKCI-QGZVFWFLSA-N 2 0 321.509 2.681 20 0 DFADRP C[C@@H]([NH3+])c1ccc(C(=O)NC[C@H]2CCC[N@H+](CC3CC3)C2)cc1 ZINC000663005852 431255375 /nfs/dbraw/zinc/25/53/75/431255375.db2.gz YPEOAVWGOQCDEC-GDBMZVCRSA-N 2 0 315.461 2.558 20 0 DFADRP Cc1cc(CN2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)nc(C)n1 ZINC000660116205 431277627 /nfs/dbraw/zinc/27/76/27/431277627.db2.gz WSHMHKCJXMSGGP-YJBOKZPZSA-N 2 0 300.450 2.542 20 0 DFADRP Cc1cc(C[NH+](C)C)cc(NC(=O)[C@@H]2CC[C@@H](C3CC3)[NH2+]2)c1 ZINC000653152283 431284786 /nfs/dbraw/zinc/28/47/86/431284786.db2.gz HVRLLGYIRJASDK-IRXDYDNUSA-N 2 0 301.434 2.526 20 0 DFADRP CC(C)c1nn(C)c(N(C)C)c1C[NH2+]C(C)(C)CCC[NH+](C)C ZINC000649780381 431289867 /nfs/dbraw/zinc/28/98/67/431289867.db2.gz OBWJRRGEOFDJKH-UHFFFAOYSA-N 2 0 323.529 2.820 20 0 DFADRP [NH3+][C@@H]1CCCCCC[C@@H]1C(=O)N1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000646385040 431290033 /nfs/dbraw/zinc/29/00/33/431290033.db2.gz VNRVEZJNTULXKJ-XLAORIBOSA-N 2 0 321.509 2.522 20 0 DFADRP CC(C)c1cccc(C[N@H+](C)CCCN2CC[NH+](C)CC2)c1 ZINC000660144986 431291303 /nfs/dbraw/zinc/29/13/03/431291303.db2.gz KRKAOXMPXVCZTO-UHFFFAOYSA-N 2 0 303.494 2.879 20 0 DFADRP [NH3+]C1(CC(=O)N[C@H](C[NH+]2CCCCC2)c2ccccc2)CCC1 ZINC000646408757 431299394 /nfs/dbraw/zinc/29/93/94/431299394.db2.gz GMKQSXQKMMSFCB-QGZVFWFLSA-N 2 0 315.461 2.601 20 0 DFADRP C[C@H]1C[C@@H](C[NH+]2CCC(C[NH+]3CCCCCC3)CC2)CC[NH2+]1 ZINC000666620259 431300899 /nfs/dbraw/zinc/30/08/99/431300899.db2.gz WTKKRYAOLBGYEZ-HKUYNNGSSA-N 3 0 307.526 2.963 20 0 DFADRP [NH3+][C@@H]1CCC[C@@H]([NH2+]C[C@@H]2CCCN(Cc3cccs3)C2)C1 ZINC000656197089 431304039 /nfs/dbraw/zinc/30/40/39/431304039.db2.gz BURGSFNYCUIYBF-ARFHVFGLSA-N 2 0 307.507 2.820 20 0 DFADRP CC[C@H]([NH2+]Cc1cc(C2CC[NH2+]CC2)no1)[C@H]1CCCCO1 ZINC000656201261 431305122 /nfs/dbraw/zinc/30/51/22/431305122.db2.gz MQXPRQRGMKXYKR-DOTOQJQBSA-N 2 0 307.438 2.579 20 0 DFADRP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)NCCC[N@H+](CC)C1CCCCC1 ZINC000653200623 431306554 /nfs/dbraw/zinc/30/65/54/431306554.db2.gz KSGPYSGMTRWLEO-IRXDYDNUSA-N 2 0 309.498 2.535 20 0 DFADRP CC[N@H+](CCCNC(=O)[C@H]1CC[C@@H](C2CC2)[NH2+]1)C1CCCCC1 ZINC000653200233 431306984 /nfs/dbraw/zinc/30/69/84/431306984.db2.gz ZQPNSWVSYGMMGL-ZWKOTPCHSA-N 2 0 321.509 2.678 20 0 DFADRP C[C@@H]1C[C@H](C[N@@H+]2CCN(Cc3ccccc3)CC[C@@H]2C)CC[NH2+]1 ZINC000666636653 431310622 /nfs/dbraw/zinc/31/06/22/431310622.db2.gz CQTWWNVNJBTHPZ-WSTZPKSXSA-N 2 0 315.505 2.971 20 0 DFADRP CC[NH+](CC)Cc1cccc(CNC(=O)[C@H]2CCC[NH2+]CC2)c1 ZINC000653109265 431270323 /nfs/dbraw/zinc/27/03/23/431270323.db2.gz ZPQVBIJHVRJHDL-SFHVURJKSA-N 2 0 317.477 2.534 20 0 DFADRP O=C(Nc1ccc(CC[NH+]2CCCC2)cc1)[C@@H]1CCC[NH2+]CC1 ZINC000653113037 431270963 /nfs/dbraw/zinc/27/09/63/431270963.db2.gz QMADNWHGJLGNFT-QGZVFWFLSA-N 2 0 315.461 2.653 20 0 DFADRP C[NH2+]Cc1ccccc1NCc1ccc(OCC[NH+](C)C)cc1 ZINC000666810237 431367695 /nfs/dbraw/zinc/36/76/95/431367695.db2.gz MRFQFVHETQMFAR-UHFFFAOYSA-N 2 0 313.445 2.959 20 0 DFADRP CC[NH+](CC)[C@H](C(=O)N1CC[C@H]([NH+](C)C)[C@H]1C)c1ccccc1 ZINC000646483412 431322311 /nfs/dbraw/zinc/32/23/11/431322311.db2.gz DBYRJRCUCITMOC-NJAFHUGGSA-N 2 0 317.477 2.621 20 0 DFADRP C[C@@H]1C[NH+](CC2CC[NH+](C[C@@H]3CCC(C)(C)O3)CC2)C[C@@H](C)O1 ZINC000186927909 288153133 /nfs/dbraw/zinc/15/31/33/288153133.db2.gz GKHGVYZBVCBQIK-NUJGCVRESA-N 2 0 324.509 2.765 20 0 DFADRP Cc1ccc(NC2CC[NH+]([C@H]3CCOC3)CC2)c(C[NH+](C)C)c1 ZINC000656256705 431338642 /nfs/dbraw/zinc/33/86/42/431338642.db2.gz YEQNEDBTZUJDCK-SFHVURJKSA-N 2 0 317.477 2.722 20 0 DFADRP CC(C)CNC(=O)CCC[NH2+][C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000660256000 431344074 /nfs/dbraw/zinc/34/40/74/431344074.db2.gz HNAIASHCISRPFK-DLBZAZTESA-N 2 0 323.525 2.781 20 0 DFADRP CC[C@H](C)Oc1cc(C[NH2+]C[C@@H]2CCC[NH2+]C2)ccc1OC ZINC000666763676 431349371 /nfs/dbraw/zinc/34/93/71/431349371.db2.gz PGCXEVRFMZXEFY-GOEBONIOSA-N 2 0 306.450 2.962 20 0 DFADRP Cc1cc(NCC23CC(C2)C[NH2+]3)c2cc(OC(F)F)ccc2[nH+]1 ZINC000663274387 431349730 /nfs/dbraw/zinc/34/97/30/431349730.db2.gz PQXXVVJIDZMBBI-UHFFFAOYSA-N 2 0 319.355 2.730 20 0 DFADRP CC(C)c1cccc(C[NH2+]CCCC[NH+]2CCN(C)CC2)c1 ZINC000663314475 431358818 /nfs/dbraw/zinc/35/88/18/431358818.db2.gz HMKNTUUJCQBASE-UHFFFAOYSA-N 2 0 303.494 2.927 20 0 DFADRP CC[C@@H](C)Oc1cc(C[NH2+]CC[C@@H]2CC[NH2+]C2)ccc1OC ZINC000666787290 431359448 /nfs/dbraw/zinc/35/94/48/431359448.db2.gz BGMHGMBSCQWJMU-CABCVRRESA-N 2 0 306.450 2.962 20 0 DFADRP FC1(F)C[C@]12CC[NH+](CCC[N@H+]1CC[C@]3(CC3(F)F)C1)C2 ZINC000649907177 431361470 /nfs/dbraw/zinc/36/14/70/431361470.db2.gz KQOSQEDPMICMGC-STQMWFEESA-N 2 0 306.347 2.839 20 0 DFADRP CC(C)C[C@H](C[NH3+])NCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000666798866 431363107 /nfs/dbraw/zinc/36/31/07/431363107.db2.gz NNSSJOSENDJHBU-GOSISDBHSA-N 2 0 319.493 2.624 20 0 DFADRP C[N@H+](C[C@H]1CCn2ccnc2C1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000656504268 431412863 /nfs/dbraw/zinc/41/28/63/431412863.db2.gz RRYQCVKNIYEAMU-OALUTQOASA-N 2 0 324.472 2.652 20 0 DFADRP COc1ccc(C[NH2+][C@@H]2CC23CC[NH2+]CC3)cc1OCC(C)C ZINC000666951030 431418562 /nfs/dbraw/zinc/41/85/62/431418562.db2.gz XKBCJQSSGXSMHE-GOSISDBHSA-N 2 0 318.461 2.962 20 0 DFADRP CCOc1c(Cl)cc(C[NH2+][C@@H]2CC23CC[NH2+]CC3)cc1OC ZINC000666951005 431419502 /nfs/dbraw/zinc/41/95/02/431419502.db2.gz WGNVEQDSACQJFM-OAHLLOKOSA-N 2 0 324.852 2.979 20 0 DFADRP CCc1ccccc1NC(=O)C[C@@H](C)[NH2+][C@@H]1CC12CC[NH2+]CC2 ZINC000666953608 431423344 /nfs/dbraw/zinc/42/33/44/431423344.db2.gz BWZHQLCMUDAPMG-RHSMWYFYSA-N 2 0 315.461 2.698 20 0 DFADRP CC[C@@H](Cc1ccc(OC)c(OC)c1)[NH2+][C@H]1CC12CC[NH2+]CC2 ZINC000666953795 431423370 /nfs/dbraw/zinc/42/33/70/431423370.db2.gz HYECNTFBPNMLGF-YJBOKZPZSA-N 2 0 318.461 2.757 20 0 DFADRP COc1ccc(C[NH2+]C[C@@H]2CCC[N@H+](CC3CC3)C2)cc1OC ZINC000663347531 431376797 /nfs/dbraw/zinc/37/67/97/431376797.db2.gz NRBWGOMEKJTNOG-KRWDZBQOSA-N 2 0 318.461 2.915 20 0 DFADRP CN(C)c1ccccc1C[NH2+]C[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000663345317 431378126 /nfs/dbraw/zinc/37/81/26/431378126.db2.gz IFTRMZONWCWXSX-QGZVFWFLSA-N 2 0 301.478 2.964 20 0 DFADRP c1ccc(C[N@@H+]2C[C@H]3[C@H](C2)[C@@H]2CC[C@H]3C[NH+]2[C@@H]2CCOC2)cc1 ZINC000656407937 431380035 /nfs/dbraw/zinc/38/00/35/431380035.db2.gz VCXJUPNYOCRUJT-MDMHHNQBSA-N 2 0 312.457 2.618 20 0 DFADRP C[C@@H]1C[N@@H+](CCCC[NH2+][C@@H]2[C@@H]3CCCO[C@H]3C2(C)C)C[C@H](C)O1 ZINC000245902525 288161023 /nfs/dbraw/zinc/16/10/23/288161023.db2.gz OBAZCYPDKLYCOL-IGKNDFSCSA-N 2 0 324.509 2.669 20 0 DFADRP [NH3+][C@@H]1CCC[C@H]([NH2+]Cc2cnn(Cc3ccccc3Cl)c2)C1 ZINC000666852282 431384399 /nfs/dbraw/zinc/38/43/99/431384399.db2.gz ZBNXIEOEIPIHNK-CVEARBPZSA-N 2 0 318.852 2.944 20 0 DFADRP c1ccc(COc2cccc(C[NH2+][C@H]3CCC[NH2+]CC3)c2)nc1 ZINC000666855206 431386554 /nfs/dbraw/zinc/38/65/54/431386554.db2.gz FRQXPCFJCRSLKK-KRWDZBQOSA-N 2 0 311.429 2.892 20 0 DFADRP COc1cc(C[NH2+][C@H]2CCC[NH2+]CC2)ccc1OC(F)F ZINC000666855269 431387534 /nfs/dbraw/zinc/38/75/34/431387534.db2.gz HZNIDGWZNLZWGE-LBPRGKRZSA-N 2 0 300.349 2.528 20 0 DFADRP C[C@@H]1C[NH2+]CC[C@@H]1[NH2+]Cc1cn(C)nc1-c1cc2ccccc2o1 ZINC000666878551 431392422 /nfs/dbraw/zinc/39/24/22/431392422.db2.gz LEIWFQSHRUHPPW-CJNGLKHVSA-N 2 0 324.428 2.921 20 0 DFADRP C[C@H](c1ccccc1)[C@H](O)C[NH2+]CC1CC[NH+](CC2CC2)CC1 ZINC000663374823 431393197 /nfs/dbraw/zinc/39/31/97/431393197.db2.gz OSBIRXJYOSHWNJ-OXQOHEQNSA-N 2 0 316.489 2.863 20 0 DFADRP C[NH+]1CCC(N2CC[C@@H]([NH2+]CCc3ccc(Cl)cc3)C2)CC1 ZINC000656499024 431410599 /nfs/dbraw/zinc/41/05/99/431410599.db2.gz BBEBSMADTPYHEX-QGZVFWFLSA-N 2 0 321.896 2.641 20 0 DFADRP C[NH+]1CCC(N2CC[C@H]([NH2+]CCc3ccc(Cl)cc3)C2)CC1 ZINC000656499023 431411689 /nfs/dbraw/zinc/41/16/89/431411689.db2.gz BBEBSMADTPYHEX-KRWDZBQOSA-N 2 0 321.896 2.641 20 0 DFADRP c1cc(CCC[NH2+][C@@H]2CC[NH2+]C3(CCC3)C2)cc2c1OCC2 ZINC000666993959 431437720 /nfs/dbraw/zinc/43/77/20/431437720.db2.gz WNHHEKMHXVOCHD-QGZVFWFLSA-N 2 0 300.446 2.818 20 0 DFADRP CCc1noc(C2CCC([NH2+][C@H]3CC[NH2+]C4(CCC4)C3)CC2)n1 ZINC000666995309 431438209 /nfs/dbraw/zinc/43/82/09/431438209.db2.gz JZAVPYNZNDWXTN-NRXISQOPSA-N 2 0 318.465 2.923 20 0 DFADRP c1cc(-c2n[nH]cc2C[NH2+][C@H]2CC[NH2+]C3(CCC3)C2)cs1 ZINC000666993702 431438819 /nfs/dbraw/zinc/43/88/19/431438819.db2.gz CTJKAGJOBLSZAR-AWEZNQCLSA-N 2 0 302.447 2.903 20 0 DFADRP C[C@@H]1C[NH2+]CC[C@H]1CN1CC[NH2+]C[C@H]1c1ccccc1Cl ZINC000663495251 431442531 /nfs/dbraw/zinc/44/25/31/431442531.db2.gz WIEIYBDPNLAMBV-KEYYUXOJSA-N 2 0 307.869 2.532 20 0 DFADRP CC[C@@H]1CN(C(=O)CC[C@H]([NH3+])CC2CCCCC2)CC[C@@H]1[NH3+] ZINC000647005864 431444194 /nfs/dbraw/zinc/44/41/94/431444194.db2.gz HIDZJCPSIVLBGM-IKGGRYGDSA-N 2 0 309.498 2.650 20 0 DFADRP CCCc1nc(C)c(C[N@@H+]2CCC[C@H](N3CCOCC3)CC2)o1 ZINC000660474255 431447149 /nfs/dbraw/zinc/44/71/49/431447149.db2.gz HBNNETDLELCDHK-INIZCTEOSA-N 2 0 321.465 2.622 20 0 DFADRP CC[C@@H](C)C[C@@H](CC)[NH2+]C1CCN(C(=O)CCC[NH2+]C)CC1 ZINC000663506521 431448760 /nfs/dbraw/zinc/44/87/60/431448760.db2.gz SVUUDKLHXIVHRW-HZPDHXFCSA-N 2 0 311.514 2.781 20 0 DFADRP CC[C@H]1CCC[C@@H]([NH2+]C2CCN(C(=O)CCC[NH2+]C)CC2)C1 ZINC000663505507 431449363 /nfs/dbraw/zinc/44/93/63/431449363.db2.gz JMNQVIIZJUTKAQ-DOTOQJQBSA-N 2 0 309.498 2.535 20 0 DFADRP COc1cccc(-c2n[nH]cc2C[N@@H+]2CC[C@@H](C)[C@H](C[NH3+])C2)c1 ZINC000667039018 431453634 /nfs/dbraw/zinc/45/36/34/431453634.db2.gz GDZXQOQYFNFLOR-UKRRQHHQSA-N 2 0 314.433 2.502 20 0 DFADRP C[C@@H]([NH2+]CCCc1cncn1C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000653614042 431460455 /nfs/dbraw/zinc/46/04/55/431460455.db2.gz LKKGGVJGPKWZSL-HZPDHXFCSA-N 3 0 304.482 2.595 20 0 DFADRP CCc1cnccc1NC(=O)[C@@H](c1ccc(Cl)cc1)N(C)C ZINC000653640653 431470386 /nfs/dbraw/zinc/47/03/86/431470386.db2.gz XDWDXLOYBUVIKA-MRXNPFEDSA-N 2 0 317.820 2.961 20 0 DFADRP CC(C)[C@@H](C)[NH+]1CCN([C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000660536218 431478915 /nfs/dbraw/zinc/47/89/15/431478915.db2.gz FNDRTWTWPVGMIF-UYAOXDASSA-N 2 0 315.505 2.923 20 0 DFADRP [NH3+]C[C@@H]1CC[C@@H]([NH2+]Cc2cnn(Cc3ccccc3Cl)c2)C1 ZINC000666962218 431426763 /nfs/dbraw/zinc/42/67/63/431426763.db2.gz RRXHWDAPUCFZBP-CZUORRHYSA-N 2 0 318.852 2.802 20 0 DFADRP CO[C@H](C[N@@H+]1CC[C@H](CN(C)Cc2cccnc2)C1)C1CCC1 ZINC000660435780 431427763 /nfs/dbraw/zinc/42/77/63/431427763.db2.gz QNJOJIJXLOMQED-IEBWSBKVSA-N 2 0 317.477 2.650 20 0 DFADRP O[C@@H]1CCC[C@H](C[N@H+]2C[C@@H]3C[NH+](Cc4ccccc4)C[C@@H]3C2)C1 ZINC000660445265 431434348 /nfs/dbraw/zinc/43/43/48/431434348.db2.gz APMPMUSWMLVBEY-VNTMZGSJSA-N 2 0 314.473 2.601 20 0 DFADRP COC[C@@H](Cc1ccccc1)[NH2+]C[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000663468546 431434915 /nfs/dbraw/zinc/43/49/15/431434915.db2.gz MATGOLHQVBCHJI-VQTJNVASSA-N 2 0 316.489 2.956 20 0 DFADRP COC[C@H](Cc1ccccc1)[NH2+]C[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000663468545 431435292 /nfs/dbraw/zinc/43/52/92/431435292.db2.gz MATGOLHQVBCHJI-UXHICEINSA-N 2 0 316.489 2.956 20 0 DFADRP c1cc(CCC[NH2+][C@H]2CC[NH2+]C3(CCC3)C2)cc2c1OCC2 ZINC000666993958 431437016 /nfs/dbraw/zinc/43/70/16/431437016.db2.gz WNHHEKMHXVOCHD-KRWDZBQOSA-N 2 0 300.446 2.818 20 0 DFADRP Cc1nc2ccccn2c1C[N@@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000656785920 431522018 /nfs/dbraw/zinc/52/20/18/431522018.db2.gz NGBOXLXFKXKYJN-KRWDZBQOSA-N 2 0 312.461 2.854 20 0 DFADRP COc1cccc(C[N@@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)c1OC ZINC000656785941 431522257 /nfs/dbraw/zinc/52/22/57/431522257.db2.gz NOFNCOFQLYZXQC-MRXNPFEDSA-N 2 0 318.461 2.915 20 0 DFADRP CC(C)[N@H+](C)C[C@H](O)C[NH+]1[C@H](C)C[C@H](c2ccccc2)[C@@H]1C ZINC000660649232 431528863 /nfs/dbraw/zinc/52/88/63/431528863.db2.gz GLGVOHNAXSFMAY-NEPXVJNWSA-N 2 0 304.478 2.954 20 0 DFADRP CC(C)[N@H+](C)C[C@H](O)C[NH+]1[C@H](C)C[C@@H](c2ccccc2)[C@H]1C ZINC000660649233 431528903 /nfs/dbraw/zinc/52/89/03/431528903.db2.gz GLGVOHNAXSFMAY-ZAWLATJESA-N 2 0 304.478 2.954 20 0 DFADRP CC(C)[N@H+](C)C[C@H](O)C[NH+]1[C@H](C)C[C@@H](c2ccccc2)[C@@H]1C ZINC000660649231 431529248 /nfs/dbraw/zinc/52/92/48/431529248.db2.gz GLGVOHNAXSFMAY-KCITZHQASA-N 2 0 304.478 2.954 20 0 DFADRP CC[NH+](CC)CCOc1ccccc1C[NH2+][C@H]1CO[C@H](C)C1 ZINC000647171912 431492566 /nfs/dbraw/zinc/49/25/66/431492566.db2.gz AEFXEXMWNSBCTM-NVXWUHKLSA-N 2 0 306.450 2.674 20 0 DFADRP CCN(C)C[C@H](O)C[N@@H+]1C[C@@H](c2ccccc2)C2(CCC2)C1 ZINC000653762171 431515742 /nfs/dbraw/zinc/51/57/42/431515742.db2.gz YYAQTPDWZMGZSF-ROUUACIJSA-N 2 0 302.462 2.569 20 0 DFADRP C[N@@H+]1CC[C@@]2(C1)CCC[NH+](C[C@H](O)Cc1cccc(Cl)c1)C2 ZINC000660661260 431536457 /nfs/dbraw/zinc/53/64/57/431536457.db2.gz BZKZTPSRWNWLOW-QZTJIDSGSA-N 2 0 322.880 2.661 20 0 DFADRP Fc1cccc(N2CCC[N@H+](CCCn3ccnc3)CC2)c1F ZINC000660663780 431539541 /nfs/dbraw/zinc/53/95/41/431539541.db2.gz AVMLQLCXCWFDNL-UHFFFAOYSA-N 2 0 320.387 2.764 20 0 DFADRP Cc1cccc2nc(CC[NH2+][C@H](C)C3CC[NH+](C)CC3)cn21 ZINC000647364862 431566194 /nfs/dbraw/zinc/56/61/94/431566194.db2.gz PHRYEOUGFWVVCO-OAHLLOKOSA-N 2 0 300.450 2.505 20 0 DFADRP CC(C)[C@H](C(=O)N1CCC[C@H]1[C@@H]1CCC[N@@H+]1C)[NH+]1CCCCC1 ZINC000377662074 280149047 /nfs/dbraw/zinc/14/90/47/280149047.db2.gz LVFPJNBWKOZATK-OKZBNKHCSA-N 2 0 321.509 2.582 20 0 DFADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC[C@H](C1CC1)[NH+](C)C ZINC000360414202 288217740 /nfs/dbraw/zinc/21/77/40/288217740.db2.gz ORYFURPKKPLSBW-LSTHTHJFSA-N 2 0 315.505 2.827 20 0 DFADRP CC[C@@H]1CC[C@H](C)C[C@H]1[NH2+][C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000366821291 280330456 /nfs/dbraw/zinc/33/04/56/280330456.db2.gz IBSPYXAPSAEVRR-MJQMVNBJSA-N 2 0 307.526 2.959 20 0 DFADRP CC(C)[N@H+](C)C[C@H](O)C[NH+](C)[C@@H]1CCC[C@@H]1c1ccccc1 ZINC000660774845 431593047 /nfs/dbraw/zinc/59/30/47/431593047.db2.gz BZTOEMVGMRHHDV-IPMKNSEASA-N 2 0 304.478 2.956 20 0 DFADRP OC(C[NH+]1CCC[C@H]2CCC[C@H]21)C[N@@H+]1CCC[C@H]2CCC[C@@H]21 ZINC000181800976 280398321 /nfs/dbraw/zinc/39/83/21/280398321.db2.gz UKVPWJUNWRTQRK-SCIMBWJRSA-N 2 0 306.494 2.876 20 0 DFADRP c1cn(-c2csc(C[N@@H+]3CCC[C@H]([C@H]4CCC[NH2+]4)C3)c2)cn1 ZINC000647479423 431601625 /nfs/dbraw/zinc/60/16/25/431601625.db2.gz GMNBIJRAWOEXMQ-WMLDXEAASA-N 2 0 316.474 2.898 20 0 DFADRP CC[C@@H](C[NH2+]C(C)(C)CN1CC[NH+](CC)CC1)CC(F)F ZINC000660755263 431581440 /nfs/dbraw/zinc/58/14/40/431581440.db2.gz YSGUASFQGDJHQV-CQSZACIVSA-N 2 0 305.457 2.674 20 0 DFADRP CC(C)[N@H+](C)C[C@H](O)C[NH+](C)[C@@H]1CCC[C@H]1c1ccccc1 ZINC000660774844 431591629 /nfs/dbraw/zinc/59/16/29/431591629.db2.gz BZTOEMVGMRHHDV-GBESFXJTSA-N 2 0 304.478 2.956 20 0 DFADRP COc1ccc(C2CC[NH+](C[C@H]3CC[NH2+][C@H](C)C3)CC2)nc1 ZINC000650704384 431652582 /nfs/dbraw/zinc/65/25/82/431652582.db2.gz WHZQIZBCQUDQLJ-CABCVRRESA-N 2 0 303.450 2.658 20 0 DFADRP C[NH2+]Cc1ccccc1C[NH2+]C1CCN(c2ccccn2)CC1 ZINC000650719534 431661817 /nfs/dbraw/zinc/66/18/17/431661817.db2.gz SYTCJPWFQIISID-UHFFFAOYSA-N 2 0 310.445 2.560 20 0 DFADRP Cc1ccc(C[N@@H+]2CCC[C@H]([C@@H]3C[C@@H]([NH3+])CCO3)C2)cc1F ZINC000650707136 431653596 /nfs/dbraw/zinc/65/35/96/431653596.db2.gz ZGXSVDBAQKJXOP-BQFCYCMXSA-N 2 0 306.425 2.852 20 0 DFADRP Cc1ccc(CCC[N@@H+]2CCC[C@H]([C@H]3C[C@@H]([NH3+])CCO3)C2)cn1 ZINC000650708316 431654988 /nfs/dbraw/zinc/65/49/88/431654988.db2.gz XRQCJUBZBFCIGS-GBESFXJTSA-N 2 0 317.477 2.541 20 0 DFADRP [NH3+]C[C@]12CCC[C@H]1C[N@H+](CCCc1ccc3c(c1)CCO3)C2 ZINC000650709820 431655843 /nfs/dbraw/zinc/65/58/43/431655843.db2.gz RVOVRUKVOKHSNP-HKUYNNGSSA-N 2 0 300.446 2.615 20 0 DFADRP COc1cc(C[N@@H+]2CCC[C@H]([C@@H]3C[C@@H]([NH3+])CCO3)C2)ccc1C ZINC000650708340 431655988 /nfs/dbraw/zinc/65/59/88/431655988.db2.gz YDTRSSAEQWCDCZ-LNLFQRSKSA-N 2 0 318.461 2.722 20 0 DFADRP CC[NH+](CC)Cc1ccc(CNCc2cc3n(n2)CCC3)cc1 ZINC000657297342 431656128 /nfs/dbraw/zinc/65/61/28/431656128.db2.gz LZUQIPQAIZZIIJ-UHFFFAOYSA-N 2 0 312.461 2.961 20 0 DFADRP Cc1ccc(C[N@@H+]2C[C@@H]3CCC[C@]3(C[NH3+])C2)c(-c2cnn(C)c2)c1 ZINC000650709531 431656533 /nfs/dbraw/zinc/65/65/33/431656533.db2.gz DOLNGPQMUUCMOJ-ICSRJNTNSA-N 2 0 324.472 2.956 20 0 DFADRP [NH3+]CC1(CC[NH2+]Cc2ccc(F)c(Br)c2)CC1 ZINC000650712091 431658884 /nfs/dbraw/zinc/65/88/84/431658884.db2.gz QHNRUQNLESULMA-UHFFFAOYSA-N 2 0 301.203 2.807 20 0 DFADRP CC(C)N(C)c1ccc(C[N@@H+]2CCC[C@@H](C)[C@@H]2CC[NH3+])cn1 ZINC000650712058 431659220 /nfs/dbraw/zinc/65/92/20/431659220.db2.gz PCGWHCSVJRFKPU-WBVHZDCISA-N 2 0 304.482 2.876 20 0 DFADRP [NH3+]CC1(CC[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)CC1 ZINC000650713824 431659241 /nfs/dbraw/zinc/65/92/41/431659241.db2.gz DFPINLQWZWHAKV-YQQQUEKLSA-N 3 0 313.489 2.901 20 0 DFADRP Cn1cc(C[N@@H+]2CC[C@H](C[NH3+])C2)c(-c2cc3ccccc3o2)n1 ZINC000647490834 431605142 /nfs/dbraw/zinc/60/51/42/431605142.db2.gz UCYPIGYLTZKJHB-CYBMUJFWSA-N 2 0 310.401 2.614 20 0 DFADRP CC[C@H]1C[N@H+](Cc2ccc(-c3cnn(C)c3)s2)CC[C@@H]1[NH3+] ZINC000647497853 431606444 /nfs/dbraw/zinc/60/64/44/431606444.db2.gz YECWHQLCMVGTCN-WFASDCNBSA-N 2 0 304.463 2.708 20 0 DFADRP COc1cccc(-c2n[nH]cc2C[N@H+](C)CC[C@H]([NH3+])C(C)C)c1 ZINC000647506216 431609185 /nfs/dbraw/zinc/60/91/85/431609185.db2.gz SMTMQUMCQPKFCK-KRWDZBQOSA-N 2 0 316.449 2.891 20 0 DFADRP Cc1nn(C(C)C)cc1C[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647544352 431624856 /nfs/dbraw/zinc/62/48/56/431624856.db2.gz ZEXKGCFCAKFSBH-SJORKVTESA-N 2 0 304.482 2.984 20 0 DFADRP Cc1cccc2ncc(C[N@@H+]3CCC[C@H]([C@H]4CCC[NH2+]C4)C3)n21 ZINC000647543103 431625812 /nfs/dbraw/zinc/62/58/12/431625812.db2.gz HRQCFMRTTCARBE-IRXDYDNUSA-N 2 0 312.461 2.854 20 0 DFADRP CCOc1ccc(C[N@@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)nc1 ZINC000647543423 431626403 /nfs/dbraw/zinc/62/64/03/431626403.db2.gz NDZHTBXXEZKQLQ-HZPDHXFCSA-N 2 0 303.450 2.692 20 0 DFADRP C[NH2+]Cc1ccccc1C[NH2+]Cc1ccc(C(=O)NC2CC2)cc1 ZINC000650718181 431661085 /nfs/dbraw/zinc/66/10/85/431661085.db2.gz ARZSOEUMNBYVDA-UHFFFAOYSA-N 2 0 323.440 2.588 20 0 DFADRP CCOc1ccc(C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)cc1OC ZINC000647550231 431627186 /nfs/dbraw/zinc/62/71/86/431627186.db2.gz GRUPTQGBGILEKQ-BZUAXINKSA-N 2 0 304.434 2.572 20 0 DFADRP CCO[C@@H]1C[N@H+](Cc2c3ccccc3oc2CC)C[C@H]1C[NH3+] ZINC000650715267 431661181 /nfs/dbraw/zinc/66/11/81/431661181.db2.gz WRVWFQCPIVMQSL-FZKQIMNGSA-N 2 0 302.418 2.791 20 0 DFADRP COc1cc(C[NH2+]Cc2ccc(C[NH3+])cc2F)cc(OC)c1 ZINC000650718379 431661337 /nfs/dbraw/zinc/66/13/37/431661337.db2.gz JHBFXCMWLINZAG-UHFFFAOYSA-N 2 0 304.365 2.591 20 0 DFADRP CCn1cc([C@@H]2OCCC[C@H]2C[NH2+]CCC[NH+](CC)CC)cn1 ZINC000657283846 431647619 /nfs/dbraw/zinc/64/76/19/431647619.db2.gz IHOQVYKPEGJFFH-FUHWJXTLSA-N 2 0 322.497 2.692 20 0 DFADRP COc1ccc(C[N@@H+]2CCCC[C@@H]2[C@@H]2C[C@H]([NH3+])CCO2)c(F)c1 ZINC000650724343 431668061 /nfs/dbraw/zinc/66/80/61/431668061.db2.gz DESWPMPNYCEKAU-OLMNPRSZSA-N 2 0 322.424 2.695 20 0 DFADRP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCC[N@@H+]2Cc2scnc2C2CC2)C1 ZINC000650725212 431669235 /nfs/dbraw/zinc/66/92/35/431669235.db2.gz VVILKLVHRLHUJR-ILXRZTDVSA-N 2 0 321.490 2.881 20 0 DFADRP C[C@H]1C[C@H](C)C[NH+](CCCC[NH2+]Cc2cnn3c2CCC3)C1 ZINC000657312912 431670205 /nfs/dbraw/zinc/67/02/05/431670205.db2.gz MCYZHWSOXVHYKG-HOTGVXAUSA-N 2 0 304.482 2.677 20 0 DFADRP Cc1ccccc1[C@@H]1C[C@H]1[NH2+][C@@H]1CCOC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000650741900 431674940 /nfs/dbraw/zinc/67/49/40/431674940.db2.gz NUENTJLUKFAFJW-UURKPOQGSA-N 2 0 300.446 2.598 20 0 DFADRP C[C@H]([NH2+]CCC1(C[NH3+])CC1)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000650744193 431675537 /nfs/dbraw/zinc/67/55/37/431675537.db2.gz IFWBGVKINKMTBC-LBPRGKRZSA-N 2 0 301.434 2.696 20 0 DFADRP COc1ccc([C@H](C)[C@@H](C)[NH2+]CCC2(C[NH3+])CC2)cc1OC ZINC000650747371 431676866 /nfs/dbraw/zinc/67/68/66/431676866.db2.gz YMVNRFIUWJRWPI-ZIAGYGMSSA-N 2 0 306.450 2.914 20 0 DFADRP Cn1ccc([C@H]([NH2+]CCC2(C[NH3+])CC2)c2ccc(Cl)cc2)n1 ZINC000650747392 431677451 /nfs/dbraw/zinc/67/74/51/431677451.db2.gz ZHNBTWKBJPFPDF-MRXNPFEDSA-N 2 0 318.852 2.882 20 0 DFADRP [NH3+]Cc1ccc(C[NH2+][C@@H]2CCC[C@H]([C@H]3CCOC3)C2)c(F)c1 ZINC000650755094 431682349 /nfs/dbraw/zinc/68/23/49/431682349.db2.gz YVDHWNCEDRMRPE-BHYGNILZSA-N 2 0 306.425 2.969 20 0 DFADRP c1cnn(C[C@H]([NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)c2ccccc2)c1 ZINC000647786091 431683997 /nfs/dbraw/zinc/68/39/97/431683997.db2.gz HWLPNLFBOIWRJV-MANSERQUSA-N 2 0 310.445 2.602 20 0 DFADRP c1ccc2c(c1)CCS[C@@H]2C[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000647788251 431684636 /nfs/dbraw/zinc/68/46/36/431684636.db2.gz FRRTXSBYCKZYEI-YFHUEUNASA-N 2 0 302.487 2.995 20 0 DFADRP CCc1noc(C2CCC([NH2+]CCC3CC[NH2+]CC3)CC2)n1 ZINC000650763182 431684843 /nfs/dbraw/zinc/68/48/43/431684843.db2.gz TXXWTSXRLGNTQX-UHFFFAOYSA-N 2 0 306.454 2.638 20 0 DFADRP CCc1ccccc1NC(=O)C[C@H](C)[NH2+]CCC1CC[NH2+]CC1 ZINC000650763714 431684952 /nfs/dbraw/zinc/68/49/52/431684952.db2.gz HTCXGFBEWISMTL-HNNXBMFYSA-N 2 0 317.477 2.945 20 0 DFADRP CN(C)[C@H](C[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1)c1ccccc1Cl ZINC000647785909 431685469 /nfs/dbraw/zinc/68/54/69/431685469.db2.gz GDNKQZDJTWHMKV-ATNYBXOESA-N 2 0 321.896 2.920 20 0 DFADRP CC[N@H+](C)Cc1cccc(C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)c1 ZINC000647786533 431685498 /nfs/dbraw/zinc/68/54/98/431685498.db2.gz RCAZLWBCUBWLAG-IPMKNSEASA-N 3 0 301.478 2.616 20 0 DFADRP c1ccc(CCOCCC[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC000647786551 431685731 /nfs/dbraw/zinc/68/57/31/431685731.db2.gz RKPPOODELFUYQD-GBESFXJTSA-N 2 0 302.462 2.614 20 0 DFADRP Fc1cccc(OC(F)F)c1C[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000647789319 431686768 /nfs/dbraw/zinc/68/67/68/431686768.db2.gz APFZPFKLDVLQOY-IJLUTSLNSA-N 2 0 314.351 2.905 20 0 DFADRP c1ccc(C2(C[NH2+][C@@H]3CC[C@@H]4C[NH2+]C[C@@H]4C3)CCOCC2)cc1 ZINC000647788765 431687389 /nfs/dbraw/zinc/68/73/89/431687389.db2.gz QDSZIUOKIOMZFM-ZIFCJYIRSA-N 2 0 314.473 2.713 20 0 DFADRP FC(F)COc1cccc(C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)c1 ZINC000647791501 431688117 /nfs/dbraw/zinc/68/81/17/431688117.db2.gz FWUXJCRVQUNQCD-RBSFLKMASA-N 2 0 310.388 2.808 20 0 DFADRP Fc1ccc(N2CC[C@H](C[NH2+][C@@H]3CC[C@@H]4C[NH2+]C[C@H]4C3)C2)cc1 ZINC000647790258 431688203 /nfs/dbraw/zinc/68/82/03/431688203.db2.gz VDBIOZOLUJOMPH-YFHUEUNASA-N 2 0 317.452 2.630 20 0 DFADRP CCN(CC)[C@H](C[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1)c1ccco1 ZINC000647793359 431688853 /nfs/dbraw/zinc/68/88/53/431688853.db2.gz VHRSLBPPMXWEKE-MWDXBVQZSA-N 2 0 305.466 2.640 20 0 DFADRP COc1c2ccccc2oc1C[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000647795889 431689720 /nfs/dbraw/zinc/68/97/20/431689720.db2.gz YWCWJYQTEAQNQY-BFHYXJOUSA-N 2 0 300.402 2.919 20 0 DFADRP Cc1ccc([C@@H](C[NH2+]Cc2nc(C)c(C)[nH]2)N2CCCC2)o1 ZINC000657342227 431689655 /nfs/dbraw/zinc/68/96/55/431689655.db2.gz VJBLSCIUPYIEAO-OAHLLOKOSA-N 2 0 302.422 2.855 20 0 DFADRP COc1cccc(C(C)(C)C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)c1 ZINC000647793884 431690202 /nfs/dbraw/zinc/69/02/02/431690202.db2.gz KUURDHREWOFYFZ-ZMSDIMECSA-N 2 0 302.462 2.951 20 0 DFADRP C([NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1)[C@H]1CCC[N@@H+]1C1CCCCC1 ZINC000647796937 431690896 /nfs/dbraw/zinc/69/08/96/431690896.db2.gz RJJCIYLMFSQWDU-YWTNHNAXSA-N 3 0 305.510 2.761 20 0 DFADRP Fc1cc(OCC[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)ccc1Cl ZINC000647798883 431691333 /nfs/dbraw/zinc/69/13/33/431691333.db2.gz YTCIHNFDMWSILA-RWMBFGLXSA-N 2 0 312.816 2.836 20 0 DFADRP Fc1cc(C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)ccc1OC(F)F ZINC000647798945 431691349 /nfs/dbraw/zinc/69/13/49/431691349.db2.gz ZIQMBLMBKPFVOH-YNEHKIRRSA-N 2 0 314.351 2.905 20 0 DFADRP COc1cccc([C@@H]2C[C@H]2C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000647799939 431691354 /nfs/dbraw/zinc/69/13/54/431691354.db2.gz VFBYBTLXZHFKJP-RDHIYWLCSA-N 2 0 300.446 2.776 20 0 DFADRP c1ccc([C@H]2CC[C@H](C[NH2+][C@@H]3CC[C@@H]4C[NH2+]C[C@H]4C3)O2)cc1 ZINC000647797882 431692124 /nfs/dbraw/zinc/69/21/24/431692124.db2.gz GIJGWCYLDKQBMH-FVVUREQNSA-N 2 0 300.446 2.884 20 0 DFADRP c1ccc2c(c1)O[C@H](CC[NH2+][C@@H]1CC[C@@H]3C[NH2+]C[C@@H]3C1)CS2 ZINC000647801116 431692494 /nfs/dbraw/zinc/69/24/94/431692494.db2.gz OGGYKVISFJMPMF-QKPAOTATSA-N 2 0 318.486 2.908 20 0 DFADRP COCCCOc1ccc(C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC000647797118 431692507 /nfs/dbraw/zinc/69/25/07/431692507.db2.gz ZIWUSTHNYVFMKL-FGTMMUONSA-N 2 0 318.461 2.580 20 0 DFADRP FC(F)(F)c1cccc(CC[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)n1 ZINC000647798823 431692521 /nfs/dbraw/zinc/69/25/21/431692521.db2.gz XXTVUNTUUXIYJR-OUCADQQQSA-N 2 0 313.367 2.621 20 0 DFADRP CCCOc1ccc(C[NH2+]C[C@H](C)N2CC[NH+](C)CC2)c(C)c1 ZINC000657349371 431694241 /nfs/dbraw/zinc/69/42/41/431694241.db2.gz RRWGIITUYMBVGT-KRWDZBQOSA-N 2 0 319.493 2.509 20 0 DFADRP CC[C@@H]1C[C@H]([NH2+]CC2(N3CCSCC3)CCCCC2)CO1 ZINC000657369440 431705829 /nfs/dbraw/zinc/70/58/29/431705829.db2.gz GDIYLHVKRPUNAV-JKSUJKDBSA-N 2 0 312.523 2.895 20 0 DFADRP OCCC[C@H]([NH2+]Cc1ccnn1-c1cc[nH+]cc1)c1ccccc1 ZINC000657373437 431708157 /nfs/dbraw/zinc/70/81/57/431708157.db2.gz WEVDTTUHFIAILG-IBGZPJMESA-N 2 0 322.412 2.871 20 0 DFADRP OCC[C@@H](C[NH2+]Cc1ccnn1-c1cc[nH+]cc1)c1ccccc1 ZINC000657373475 431708775 /nfs/dbraw/zinc/70/87/75/431708775.db2.gz WZTGNLRUGXSJDW-KRWDZBQOSA-N 2 0 322.412 2.523 20 0 DFADRP O[C@H]1CC[N@H+](Cc2ccc(CNc3[nH+]ccc4[nH]ccc43)cc2)C1 ZINC000664234768 431709963 /nfs/dbraw/zinc/70/99/63/431709963.db2.gz AMWYJJZMKKZCQT-INIZCTEOSA-N 2 0 322.412 2.742 20 0 DFADRP C[C@@H]([NH3+])[C@H]1CN(CCCSc2ccccc2Cl)CCO1 ZINC000647863587 431710261 /nfs/dbraw/zinc/71/02/61/431710261.db2.gz FNYVPKGOLLBNBE-TZMCWYRMSA-N 2 0 314.882 2.870 20 0 DFADRP CCO[C@@H]1C[N@H+](Cc2ccc(OCC(C)C)cc2)C[C@H]1C[NH3+] ZINC000650715014 431662596 /nfs/dbraw/zinc/66/25/96/431662596.db2.gz LPPLNCRUCVBKTD-SJLPKXTDSA-N 2 0 306.450 2.517 20 0 DFADRP C[NH2+]Cc1ccccc1C[NH2+]Cc1ccc(N2CCCC2)nc1 ZINC000650719689 431663140 /nfs/dbraw/zinc/66/31/40/431663140.db2.gz ZHDARHVMIWIDLK-UHFFFAOYSA-N 2 0 310.445 2.691 20 0 DFADRP c1cc(C[NH2+][C@@H]2CCOC3(CCCC3)C2)n(-c2cc[nH+]cc2)n1 ZINC000657398419 431727429 /nfs/dbraw/zinc/72/74/29/431727429.db2.gz AQBCOZPSTUFMFP-OAHLLOKOSA-N 2 0 312.417 2.849 20 0 DFADRP CC[N@@H+]1CCC[C@@H](CN(C)c2ccccn2)[C@H]1c1cnn(C)c1 ZINC000664295383 431727659 /nfs/dbraw/zinc/72/76/59/431727659.db2.gz MTUBMTCWWJEONL-YJBOKZPZSA-N 2 0 313.449 2.725 20 0 DFADRP CCOCCC1(C[NH2+]Cc2ccnn2-c2cc[nH+]cc2)CCC1 ZINC000657400738 431730414 /nfs/dbraw/zinc/73/04/14/431730414.db2.gz VHAXSSQRYAECKS-UHFFFAOYSA-N 2 0 314.433 2.954 20 0 DFADRP CC(C)[C@H]1C[C@H]([NH2+]Cc2ccnn2-c2cc[nH+]cc2)CCO1 ZINC000657425817 431745965 /nfs/dbraw/zinc/74/59/65/431745965.db2.gz QLMZLACFXVLCGR-RHSMWYFYSA-N 2 0 300.406 2.561 20 0 DFADRP CN1CCN(C(=O)CC[N@H+](Cc2ccsc2)C(C)(C)C)CC1 ZINC000661135899 431746357 /nfs/dbraw/zinc/74/63/57/431746357.db2.gz LRGGXPCJDWABPA-UHFFFAOYSA-N 2 0 323.506 2.513 20 0 DFADRP CC(C)(CC[NH+]1CCCCCC1)NCc1cnn2c1CCC2 ZINC000657440172 431753490 /nfs/dbraw/zinc/75/34/90/431753490.db2.gz TXLCJTICUTTZFU-UHFFFAOYSA-N 2 0 304.482 2.964 20 0 DFADRP COc1ccc(COCC[NH+]2CCC([C@H]3CC[NH2+]C3)CC2)cc1 ZINC000647970001 431760564 /nfs/dbraw/zinc/76/05/64/431760564.db2.gz MFYRXDPMHGYQOT-SFHVURJKSA-N 2 0 318.461 2.533 20 0 DFADRP FC(F)(F)COCCC[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647978000 431762528 /nfs/dbraw/zinc/76/25/28/431762528.db2.gz KTYBLRFRNZYZGS-UONOGXRCSA-N 2 0 308.388 2.667 20 0 DFADRP COc1cc(C[N@H+](C)CCCC2CC[NH2+]CC2)cc(OC)c1 ZINC000647879540 431715690 /nfs/dbraw/zinc/71/56/90/431715690.db2.gz JIBJXHDQNVBQIU-UHFFFAOYSA-N 2 0 306.450 2.915 20 0 DFADRP CCC[C@@H](C)NC(=O)[C@H]1CCC[N@H+](CCCC2CC[NH2+]CC2)C1 ZINC000647883381 431715985 /nfs/dbraw/zinc/71/59/85/431715985.db2.gz MUFCMGWAATWTLY-AEFFLSMTSA-N 2 0 323.525 2.783 20 0 DFADRP CC(C)[C@H]1C[C@H]([NH2+]CC2CC[NH+](C3CCOCC3)CC2)CCO1 ZINC000657534633 431799338 /nfs/dbraw/zinc/79/93/38/431799338.db2.gz BMCPFEXXDNVLQU-IEBWSBKVSA-N 2 0 324.509 2.671 20 0 DFADRP CCc1cnc(C[NH2+]CC2CC[NH+](C3CCOCC3)CC2)s1 ZINC000657537364 431799513 /nfs/dbraw/zinc/79/95/13/431799513.db2.gz IUPBBACUQSPQAH-UHFFFAOYSA-N 2 0 323.506 2.686 20 0 DFADRP C[NH+]1CCC2(CC1)C[N@H+](Cc1ccccc1C1CC1)CCO2 ZINC000648071573 431808064 /nfs/dbraw/zinc/80/80/64/431808064.db2.gz JCKDKIGYRPGNLY-UHFFFAOYSA-N 2 0 300.446 2.861 20 0 DFADRP C[C@@H](CN(C)CCC[NH+](C)C)[NH2+]Cc1cccc(Cl)c1F ZINC000657572673 431814963 /nfs/dbraw/zinc/81/49/63/431814963.db2.gz BGOIJXHXEGTASI-ZDUSSCGKSA-N 2 0 315.864 2.841 20 0 DFADRP C([C@H]1CC[NH2+]C1)[N@@H+]1CCC[C@@H](c2nc3c(s2)CCCC3)C1 ZINC000647990414 431767811 /nfs/dbraw/zinc/76/78/11/431767811.db2.gz YSTWVRFDRYMQKY-UONOGXRCSA-N 2 0 305.491 2.811 20 0 DFADRP Cn1nc(C(F)(F)F)cc1C[NH2+]C(C)(C)CCC[NH+](C)C ZINC000657481216 431777653 /nfs/dbraw/zinc/77/76/53/431777653.db2.gz BETPOYGWVOPCNX-UHFFFAOYSA-N 2 0 306.376 2.649 20 0 DFADRP COC[C@@H](C)Oc1ccc(C[NH2+]CC[C@H]2CCC[N@H+](C)C2)cc1 ZINC000657492743 431783433 /nfs/dbraw/zinc/78/34/33/431783433.db2.gz ZWIDOQFMZOTPHE-SJLPKXTDSA-N 2 0 320.477 2.922 20 0 DFADRP O[C@@H]1CC[N@H+](Cc2ccc(C[NH2+]Cc3cccc(F)c3)cc2)C1 ZINC000657594210 431820100 /nfs/dbraw/zinc/82/01/00/431820100.db2.gz GLNWPMMGKGJAPQ-LJQANCHMSA-N 2 0 314.404 2.682 20 0 DFADRP O[C@H]1CC[N@H+](Cc2ccc(C[NH2+]CC3CCCCC3)cc2)C1 ZINC000657596748 431820611 /nfs/dbraw/zinc/82/06/11/431820611.db2.gz YPAYUPCJKUDCKX-IBGZPJMESA-N 2 0 302.462 2.923 20 0 DFADRP Cc1cccc(C[NH2+]Cc2ccc(C[N@@H+]3CC[C@@H](O)C3)cc2)c1 ZINC000657594243 431821163 /nfs/dbraw/zinc/82/11/63/431821163.db2.gz HIEOYBDVXXUTEL-HXUWFJFHSA-N 2 0 310.441 2.851 20 0 DFADRP CC(C)OC[C@H](C)[NH2+]CC1CC[NH+](Cc2ccncc2)CC1 ZINC000657613224 431824579 /nfs/dbraw/zinc/82/45/79/431824579.db2.gz JEDCPBNDOOIZBT-INIZCTEOSA-N 2 0 305.466 2.697 20 0 DFADRP C[NH+](C)CCCOc1ccc(C[NH2+][C@@H]2COC3(CCC3)C2)cc1 ZINC000657630665 431828164 /nfs/dbraw/zinc/82/81/64/431828164.db2.gz LRRWMJGGAHGETF-KRWDZBQOSA-N 2 0 318.461 2.818 20 0 DFADRP Cc1ccc2c(C[N@@H+]3CCCC[C@H]3CC[NH3+])cc(=O)oc2c1 ZINC000261993905 281044206 /nfs/dbraw/zinc/04/42/06/281044206.db2.gz UDICGDXRPXBDOP-HNNXBMFYSA-N 2 0 300.402 2.805 20 0 DFADRP Cc1[nH+]c2ccccc2c(N2CC[NH+]([C@H]3CCOC3)CC2)c1C ZINC000360324920 282073209 /nfs/dbraw/zinc/07/32/09/282073209.db2.gz ZFKWVAHHBWPOBP-INIZCTEOSA-N 2 0 311.429 2.763 20 0 DFADRP Cc1nc2ccccc2n1C1CC[NH+](C[C@@H]2CCC[NH2+]C2)CC1 ZINC000261999298 282077752 /nfs/dbraw/zinc/07/77/52/282077752.db2.gz TXDXIQXYJDGTNW-MRXNPFEDSA-N 2 0 312.461 2.981 20 0 DFADRP CC(C)C[C@H](C[NH3+])NC(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C ZINC000415786102 289137649 /nfs/dbraw/zinc/13/76/49/289137649.db2.gz JBJSAJAGIDAYDX-WBVHZDCISA-N 2 0 318.465 2.730 20 0 DFADRP C[C@@H](CCCC[NH3+])NC(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C ZINC000415788721 289138225 /nfs/dbraw/zinc/13/82/25/289138225.db2.gz MPYICVPCZJHBHG-GUYCJALGSA-N 2 0 318.465 2.875 20 0 DFADRP C[NH+](C)[C@@H](CNC(=O)CC1(C[NH3+])CCCCC1)c1cccs1 ZINC000185352725 289276662 /nfs/dbraw/zinc/27/66/62/289276662.db2.gz XFHBNNJEINURFX-AWEZNQCLSA-N 2 0 323.506 2.766 20 0 DFADRP C[N@@H+]1CC[C@@H](CNC(=O)C2([NH3+])CCCCC2)[C@H]1c1cccs1 ZINC000372097822 290126666 /nfs/dbraw/zinc/12/66/66/290126666.db2.gz CYEBOEJKDQHZOK-ZFWWWQNUSA-N 2 0 321.490 2.519 20 0 DFADRP C[N@@H+]1CC[C@H]([NH2+][C@@H]2CCOC3(CCSCC3)C2)[C@H]2CCC[C@H]21 ZINC000353635279 290224253 /nfs/dbraw/zinc/22/42/53/290224253.db2.gz ZJMLAYUHIPFFIA-WCXIOVBPSA-N 2 0 324.534 2.894 20 0 DFADRP CN(CC[NH2+]C1CCN(c2cc[nH+]cc2)CC1)C1CCCCC1 ZINC000436469681 297004657 /nfs/dbraw/zinc/00/46/57/297004657.db2.gz DTGBPCYYQOJVLS-UHFFFAOYSA-N 2 0 316.493 2.905 20 0 DFADRP C[C@H]1Cc2ccccc2[C@@H]1[NH2+]CCCC[NH+]1CCN(C)CC1 ZINC000154371873 295298603 /nfs/dbraw/zinc/29/86/03/295298603.db2.gz NEKMRTYIQDZXMS-QFBILLFUSA-N 2 0 301.478 2.537 20 0 DFADRP C[C@H]([NH2+]CCCC[NH+]1CCN(C)CC1)c1cc(F)cc(F)c1 ZINC000154394715 295298888 /nfs/dbraw/zinc/29/88/88/295298888.db2.gz YJVWGTNTSHKQPM-AWEZNQCLSA-N 2 0 311.420 2.643 20 0 DFADRP COc1cccc(OCCN(C)CC[C@H]2CCCC[N@@H+]2C)c1 ZINC000154405309 295299589 /nfs/dbraw/zinc/29/95/89/295299589.db2.gz GTIBYWKATWEXCD-MRXNPFEDSA-N 2 0 306.450 2.880 20 0 DFADRP Cc1cccc(C)c1C[NH+]1CCC(C[NH+]2CCOCC2)CC1 ZINC000154659031 295304529 /nfs/dbraw/zinc/30/45/29/295304529.db2.gz HFPDKZYOHATGOV-UHFFFAOYSA-N 2 0 302.462 2.848 20 0 DFADRP Cc1ccc(C[C@H]([NH2+][C@@H](C)CN2CC[NH+](C)CC2)C(C)C)cc1 ZINC000155115051 295313081 /nfs/dbraw/zinc/31/30/81/295313081.db2.gz RUESPPPYQOBLTQ-ICSRJNTNSA-N 2 0 317.521 2.788 20 0 DFADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]CCCc1nc2ccccc2[nH]1 ZINC000156170489 295332144 /nfs/dbraw/zinc/33/21/44/295332144.db2.gz VGROUPGWICCSRB-CPUCHLNUSA-N 3 0 300.450 2.814 20 0 DFADRP C[C@H]([NH2+]C[C@@H]1CCC[N@H+](C)C1)c1ccc(OCC[NH+](C)C)cc1 ZINC000158097202 295358188 /nfs/dbraw/zinc/35/81/88/295358188.db2.gz XHHSPDKBOANQNM-IRXDYDNUSA-N 3 0 319.493 2.619 20 0 DFADRP C[C@H]([NH2+]C[C@H]1CCC[N@H+](C)C1)c1ccc(OCC[NH+](C)C)cc1 ZINC000158097507 295358245 /nfs/dbraw/zinc/35/82/45/295358245.db2.gz XHHSPDKBOANQNM-DLBZAZTESA-N 3 0 319.493 2.619 20 0 DFADRP CCC[C@H]([NH2+]CCCC[NH+]1CCN(C)CC1)c1ccccn1 ZINC000158625830 295365292 /nfs/dbraw/zinc/36/52/92/295365292.db2.gz OSLWDFOJYIXHBU-KRWDZBQOSA-N 2 0 304.482 2.540 20 0 DFADRP CC(C)CNC(=O)C[NH+]1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000158877723 295368678 /nfs/dbraw/zinc/36/86/78/295368678.db2.gz MYLDKCLXTAYOGD-QGZVFWFLSA-N 2 0 323.525 2.735 20 0 DFADRP OC1(C[NH2+]Cc2cccs2)CC[NH+](Cc2ccccc2)CC1 ZINC000397502080 295487809 /nfs/dbraw/zinc/48/78/09/295487809.db2.gz ZUTHUCAOGLJIPV-UHFFFAOYSA-N 2 0 316.470 2.865 20 0 DFADRP C[C@H]([NH2+]CC1CC[NH+](Cc2ccccc2)CC1)[C@@H]1CCC[NH2+]1 ZINC000400399476 295497306 /nfs/dbraw/zinc/49/73/06/295497306.db2.gz KEEHWXMKJBUWKI-LPHOPBHVSA-N 3 0 301.478 2.629 20 0 DFADRP C[C@H]([NH2+]CC1CC[NH+](Cc2ccccc2)CC1)[C@H]1CCC[NH2+]1 ZINC000400399477 295497327 /nfs/dbraw/zinc/49/73/27/295497327.db2.gz KEEHWXMKJBUWKI-QFBILLFUSA-N 3 0 301.478 2.629 20 0 DFADRP OCC1CC[NH+](Cc2ccc(C[NH+]3CCCCC3)cc2)CC1 ZINC000411171276 295529069 /nfs/dbraw/zinc/52/90/69/295529069.db2.gz ZHNXRACBVYKVMQ-UHFFFAOYSA-N 2 0 302.462 2.877 20 0 DFADRP CCCC[C@H]([NH2+]CC(=O)NC1CC[NH+](CC)CC1)C1CCC1 ZINC000411517638 295544168 /nfs/dbraw/zinc/54/41/68/295544168.db2.gz MZCODGUCZLFODB-KRWDZBQOSA-N 2 0 309.498 2.535 20 0 DFADRP CC(C)[NH+]1CCC(NC(=O)C[NH2+][C@@H]2CCC(C)(C)C[C@H]2C)CC1 ZINC000411550685 295546125 /nfs/dbraw/zinc/54/61/25/295546125.db2.gz LELLNDRXSDCBLD-NVXWUHKLSA-N 2 0 323.525 2.780 20 0 DFADRP C[C@@H](CC[NH+](C)C)NC(=O)c1cccc(C[NH+]2CCCCC2)c1 ZINC000412149168 295593903 /nfs/dbraw/zinc/59/39/03/295593903.db2.gz QALXUMARAIEEIE-INIZCTEOSA-N 2 0 317.477 2.743 20 0 DFADRP CSCCC[NH+]1CCC(C[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000157921066 295595367 /nfs/dbraw/zinc/59/53/67/295595367.db2.gz MFMKMZMAFRXRFZ-HUUCEWRRSA-N 2 0 300.512 2.561 20 0 DFADRP CC(C)(C)CC[NH2+]CCCN1CCN(c2cc[nH+]cc2)CC1 ZINC000438211546 297084682 /nfs/dbraw/zinc/08/46/82/297084682.db2.gz GIXMFAYROFEYIY-UHFFFAOYSA-N 2 0 304.482 2.620 20 0 DFADRP CC(C)[N@@H+]1CCC[C@H](CNC(=O)[C@H]2CCC[NH+]2C2CCCC2)C1 ZINC000438567815 297099300 /nfs/dbraw/zinc/09/93/00/297099300.db2.gz OIZVTBVDGZKFIB-SJLPKXTDSA-N 2 0 321.509 2.630 20 0 DFADRP O=C(N[C@@H]1CC[N@@H+](C2CCCC2)C1)[C@@H]1CCC[NH+]1C1CCCC1 ZINC000439829240 297139494 /nfs/dbraw/zinc/13/94/94/297139494.db2.gz GAEBQTDSYVQTDI-QAPCUYQASA-N 2 0 319.493 2.527 20 0 DFADRP C[C@@H]1CCCC[N@@H+]1CCCNC(=O)[C@H]1CCC[NH+]1C1CCCC1 ZINC000440145690 297145628 /nfs/dbraw/zinc/14/56/28/297145628.db2.gz AYWISINBBCXJHN-SJLPKXTDSA-N 2 0 321.509 2.774 20 0 DFADRP COC(=O)CC1(C[NH2+][C@@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)CC1 ZINC000440498649 297154557 /nfs/dbraw/zinc/15/45/57/297154557.db2.gz ZHTJPVQDXSVZLW-GJZGRUSLSA-N 2 0 308.466 2.572 20 0 DFADRP CC[N@@H+]1CC[C@H]([NH+](C)CCC(=O)N(C)c2ccccc2)C[C@@H]1C ZINC000441150309 297173333 /nfs/dbraw/zinc/17/33/33/297173333.db2.gz CYANHOXCABDTSR-WMZOPIPTSA-N 2 0 317.477 2.844 20 0 DFADRP CCOC(=O)[C@@H](CC)N1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000441538356 297185778 /nfs/dbraw/zinc/18/57/78/297185778.db2.gz ZJSQXZFSTVECMU-DLBZAZTESA-N 2 0 310.482 2.772 20 0 DFADRP CC[C@H](C)NC(=O)[C@@H]1C[C@H](C)[N@H+](C[C@H](C)[NH3+])[C@H]2CCCC[C@@H]12 ZINC000442664197 297199719 /nfs/dbraw/zinc/19/97/19/297199719.db2.gz LSTWOYKMMMBGOR-JNNCMOEMSA-N 2 0 309.498 2.518 20 0 DFADRP C[C@H](CCc1ccsc1)[NH2+]CCN1CC[N@H+](C)C(C)(C)C1 ZINC000442871756 297208823 /nfs/dbraw/zinc/20/88/23/297208823.db2.gz GNZVGTKZRGJLGD-OAHLLOKOSA-N 2 0 309.523 2.685 20 0 DFADRP COc1cc2c(c(C[N@@H+]3CCC[C@@H](CC[NH3+])C3)c1)O[C@H](C)C2 ZINC000442922967 297211211 /nfs/dbraw/zinc/21/12/11/297211211.db2.gz LRTNAJXYKYWLPG-KGLIPLIRSA-N 2 0 304.434 2.579 20 0 DFADRP Cc1ccc(C)c(NC(=O)[C@@H](C)[N@@H+]2CCC[C@H](CC[NH3+])C2)c1 ZINC000443057050 297214039 /nfs/dbraw/zinc/21/40/39/297214039.db2.gz FDXRERKLRGHBGF-HZPDHXFCSA-N 2 0 303.450 2.691 20 0 DFADRP Cc1c(F)cccc1NC(=O)CC[N@@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000443057146 297214065 /nfs/dbraw/zinc/21/40/65/297214065.db2.gz FREILSFAPHXXFU-AWEZNQCLSA-N 2 0 307.413 2.524 20 0 DFADRP CN(CC[N@@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1)c1ccccc1 ZINC000444270236 297234856 /nfs/dbraw/zinc/23/48/56/297234856.db2.gz NVDKQRLOEPNMOQ-SFHVURJKSA-N 2 0 301.478 2.787 20 0 DFADRP COC(=O)C[C@H]([NH2+]CCC[NH+]1CCCCC1)C1CCCCC1 ZINC000444613426 297241384 /nfs/dbraw/zinc/24/13/84/297241384.db2.gz XQQJSUQWSGSMRI-KRWDZBQOSA-N 2 0 310.482 2.964 20 0 DFADRP Cc1ccc(-c2n[nH]cc2C[NH2+]CC2CC[NH+](C3CC3)CC2)o1 ZINC000446882679 297289284 /nfs/dbraw/zinc/28/92/84/297289284.db2.gz GNCZTRUKIWIDLD-UHFFFAOYSA-N 2 0 314.433 2.942 20 0 DFADRP C[NH+](C[C@@H](O)C[N@@H+](C)C[C@@H]1CC=CCC1)C[C@H]1CC=CCC1 ZINC000447302070 297299998 /nfs/dbraw/zinc/29/99/98/297299998.db2.gz OHPXUUDSOFCCOO-BWTSREIZSA-N 2 0 306.494 2.924 20 0 DFADRP CCC(CC)(C[NH3+])C(=O)N[C@H](C[NH3+])c1ccc2ccccc2c1 ZINC000447436979 297303836 /nfs/dbraw/zinc/30/38/36/297303836.db2.gz XUQXEGUZRONDHD-QGZVFWFLSA-N 2 0 313.445 2.721 20 0 DFADRP OC[C@H](CC(F)F)[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000447603718 297310696 /nfs/dbraw/zinc/31/06/96/297310696.db2.gz YRQYULMNBZSUDN-NXOAAHMSSA-N 2 0 324.415 2.788 20 0 DFADRP C[N@@H+]1CCCC(C)(C)[C@H]1CNc1cc(N2CCCC2)ncn1 ZINC000447815209 297318451 /nfs/dbraw/zinc/31/84/51/297318451.db2.gz DVYGXASWUVWTTR-CQSZACIVSA-N 2 0 303.454 2.609 20 0 DFADRP CC[C@H](C(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1)[NH+](CC)CC ZINC000448521103 297340677 /nfs/dbraw/zinc/34/06/77/297340677.db2.gz PVKWFECYARSMGL-NXHRZFHOSA-N 2 0 321.509 2.582 20 0 DFADRP C[C@@H](Cc1ccccc1)[NH+]1CCC([NH2+]C[C@H]2CCCO2)CC1 ZINC000449064008 297399368 /nfs/dbraw/zinc/39/93/68/297399368.db2.gz OFOBPPJUQFTNSU-QFBILLFUSA-N 2 0 302.462 2.851 20 0 DFADRP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+]C[C@@H]2CCCO2)CC1 ZINC000449064004 297399419 /nfs/dbraw/zinc/39/94/19/297399419.db2.gz OFOBPPJUQFTNSU-APWZRJJASA-N 2 0 302.462 2.851 20 0 DFADRP CC[C@H]([NH2+]Cc1ccc(N2CC[NH+](CC)CC2)nc1)C1CCC1 ZINC000449083496 297402742 /nfs/dbraw/zinc/40/27/42/297402742.db2.gz UIJFSRMJCAYTKO-SFHVURJKSA-N 2 0 316.493 2.892 20 0 DFADRP CC[C@@H](CCO)[NH2+]C1CC[NH+]([C@H](C)Cc2ccccc2)CC1 ZINC000449162716 297416044 /nfs/dbraw/zinc/41/60/44/297416044.db2.gz STZVJLIWGBKMIJ-AEFFLSMTSA-N 2 0 304.478 2.833 20 0 DFADRP C[NH2+][C@@H](CC(C)(C)C)C(=O)Nc1ncc(C2CC[NH2+]CC2)s1 ZINC000449194709 297421167 /nfs/dbraw/zinc/42/11/67/297421167.db2.gz XXFMLNKBIUKXCQ-LBPRGKRZSA-N 2 0 324.494 2.573 20 0 DFADRP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+]C[C@H]2CC[C@H](O)C2)CC1 ZINC000449276675 297434710 /nfs/dbraw/zinc/43/47/10/297434710.db2.gz COYCENYNVQKUJE-KPFFTGBYSA-N 2 0 316.489 2.833 20 0 DFADRP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+]C[C@@H](CO)C2CC2)CC1 ZINC000449338949 297449076 /nfs/dbraw/zinc/44/90/76/297449076.db2.gz TUDQHNJLTFNLQL-APWZRJJASA-N 2 0 316.489 2.690 20 0 DFADRP CNC(=O)C[C@@H](C)[NH2+]C1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC000449605745 297498771 /nfs/dbraw/zinc/49/87/71/297498771.db2.gz XCJAKPAUEISMMK-CQSZACIVSA-N 2 0 311.514 2.780 20 0 DFADRP CC[NH+]1CCN(CC(C)(C)[NH2+]C[C@H](C)c2ccccc2)CC1 ZINC000449747546 297526022 /nfs/dbraw/zinc/52/60/22/297526022.db2.gz XPKKCUISQYHHSM-KRWDZBQOSA-N 2 0 303.494 2.796 20 0 DFADRP CCC[C@@H]([NH2+]C(C)C)C(=O)N[C@@H](CC(C)C)C[NH+]1CCCC1 ZINC000452341798 297961338 /nfs/dbraw/zinc/96/13/38/297961338.db2.gz FJGNSPNIJZFQJJ-DLBZAZTESA-N 2 0 311.514 2.780 20 0 DFADRP CC[C@H]([NH2+]C1CC[NH+]([C@H]2CCCC[C@H]2O)CC1)c1ccncc1 ZINC000453157526 298067755 /nfs/dbraw/zinc/06/77/55/298067755.db2.gz GOIHOFFJEWUILP-GBESFXJTSA-N 2 0 317.477 2.890 20 0 DFADRP C[NH+](C)CCOc1cnccc1C[NH2+][C@@H](C1CC1)C1CCC1 ZINC000453220283 298072372 /nfs/dbraw/zinc/07/23/72/298072372.db2.gz JTFBEEHNVXEXOT-GOSISDBHSA-N 2 0 303.450 2.690 20 0 DFADRP C[C@@H](Cc1cnccn1)[NH2+]C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000453217532 298072607 /nfs/dbraw/zinc/07/26/07/298072607.db2.gz LWROHUVSMFCMQZ-FUHWJXTLSA-N 2 0 310.445 2.519 20 0 DFADRP C[C@H]1C[N@H+](C)CC[C@H]1[NH2+]CCOc1ccc(F)c(Cl)c1 ZINC000453260202 298077563 /nfs/dbraw/zinc/07/75/63/298077563.db2.gz CSYKJZATJNSNNU-XHDPSFHLSA-N 2 0 300.805 2.788 20 0 DFADRP C[C@@H]([NH2+]CC1=CCOCC1)c1ccc(OCC[NH+](C)C)cc1 ZINC000453285638 298080423 /nfs/dbraw/zinc/08/04/23/298080423.db2.gz JXECPSYIHQDFLT-OAHLLOKOSA-N 2 0 304.434 2.624 20 0 DFADRP C[N@@H+]1CC[C@H]([NH2+][C@@H]2CCO[C@@H](c3ccccn3)C2)[C@@H]2CCC[C@H]21 ZINC000453378612 298088303 /nfs/dbraw/zinc/08/83/03/298088303.db2.gz KKXJWYUIRMOFJS-WHEVEAIOSA-N 2 0 315.461 2.764 20 0 DFADRP Cc1cnc(CC[NH2+]C2CC[NH+]([C@H]3CCC[C@H](C)C3)CC2)cn1 ZINC000453410733 298091796 /nfs/dbraw/zinc/09/17/96/298091796.db2.gz VASJIXKATFFTTI-KXBFYZLASA-N 2 0 316.493 2.960 20 0 DFADRP C[C@H]([NH2+]CCCC[N@H+](C)C1CC1)c1ccc([S@](C)=O)cc1 ZINC000453419337 298092782 /nfs/dbraw/zinc/09/27/82/298092782.db2.gz YVDYSRRZKZGYOD-QKKBWIMNSA-N 2 0 308.491 2.949 20 0 DFADRP C[C@@H]([NH2+]C[C@H]1CCC[C@@H]1O)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000453634916 298107306 /nfs/dbraw/zinc/10/73/06/298107306.db2.gz SZXHEBRXCKNBGO-YSHGAJCASA-N 2 0 302.462 2.648 20 0 DFADRP C[C@H](C(=O)NC[C@H](c1ccccc1)[NH+](C)C)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000245204084 298162460 /nfs/dbraw/zinc/16/24/60/298162460.db2.gz YODAJMXZMTXYQS-KYHPRHEASA-N 2 0 317.477 2.667 20 0 DFADRP CC[C@H]([NH2+]C[C@@H]([NH3+])C(C)C)[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000496050306 300012436 /nfs/dbraw/zinc/01/24/36/300012436.db2.gz SXYQBRPNMZUSNJ-QLFBSQMISA-N 2 0 313.486 2.737 20 0 DFADRP C[NH+](C)C1CC([NH2+][C@@H]2CCC[C@@H](NC(=O)OC(C)(C)C)C2)C1 ZINC000496128069 300019314 /nfs/dbraw/zinc/01/93/14/300019314.db2.gz YSTKUNANRZQHJB-LMRVLLHPSA-N 2 0 311.470 2.505 20 0 DFADRP COC(=O)Nc1cccc(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)c1 ZINC000496557434 300079904 /nfs/dbraw/zinc/07/99/04/300079904.db2.gz CEDNLEFVJRPFJF-BRWVUGGUSA-N 2 0 317.433 2.875 20 0 DFADRP C[NH+](C)C1CC([NH2+]C2C[C@H]3CC[C@@H](C2)N3C(=O)OC(C)(C)C)C1 ZINC000496665128 300095725 /nfs/dbraw/zinc/09/57/25/300095725.db2.gz CMQWFNIAORKRPW-OZEOOWDWSA-N 2 0 323.481 2.599 20 0 DFADRP C[C@@H](c1cccc(N2CCOC2=O)c1)[N@H+](C)CC1CC[NH2+]CC1 ZINC000496882671 300127870 /nfs/dbraw/zinc/12/78/70/300127870.db2.gz JXUQYWDGSGYWAK-AWEZNQCLSA-N 2 0 317.433 2.636 20 0 DFADRP C[C@H]([NH2+]C[C@H]1CCC[C@H]([NH3+])C1)c1cccc(N2CCOC2=O)c1 ZINC000496970782 300140483 /nfs/dbraw/zinc/14/04/83/300140483.db2.gz YMSNGPHCZBNBSH-DZKIICNBSA-N 2 0 317.433 2.811 20 0 DFADRP Cc1ccccc1[C@@H]([C@H](C)NC(=O)[C@H](C(C)C)[NH+](C)C)[NH+](C)C ZINC000510545328 300246831 /nfs/dbraw/zinc/24/68/31/300246831.db2.gz KOJJIYVHZXPXAO-RYQLBKOJSA-N 2 0 319.493 2.689 20 0 DFADRP C[C@H]1C[N@H+](CC2CCCCCC2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000374255025 300251656 /nfs/dbraw/zinc/25/16/56/300251656.db2.gz OSQLGHAVMWNCBF-HKUYNNGSSA-N 2 0 307.526 2.915 20 0 DFADRP C/C(=C/c1ccc(Cl)cc1)C[NH2+][C@@H](C)CN1CC[NH+](C)CC1 ZINC000513531601 300258091 /nfs/dbraw/zinc/25/80/91/300258091.db2.gz IEWYILTXENGKIR-IRVMHKCDSA-N 2 0 321.896 2.969 20 0 DFADRP COc1cccc(N2CCC[C@H]([NH2+][C@H](C)[C@H]3CCC[NH2+]C3)C2)c1 ZINC000514930474 300279894 /nfs/dbraw/zinc/27/98/94/300279894.db2.gz IIKSZSYBDCDBER-IKGGRYGDSA-N 2 0 317.477 2.642 20 0 DFADRP CC[NH+](CC)Cc1cccc(CNC(=O)[C@H]2CCCCC[NH2+]2)c1 ZINC000514938926 300280736 /nfs/dbraw/zinc/28/07/36/300280736.db2.gz JMAWRYUKZNHRPK-GOSISDBHSA-N 2 0 317.477 2.677 20 0 DFADRP CC1CC[NH+](CCCC[NH2+]C[C@@H](O)Cc2ccc(F)cc2)CC1 ZINC000515054648 300287384 /nfs/dbraw/zinc/28/73/84/300287384.db2.gz LDTWIJGKNYVHHT-IBGZPJMESA-N 2 0 322.468 2.831 20 0 DFADRP C[C@H](CC[NH2+]C[C@@H](O)Cc1ccc(F)cc1)[NH+]1CCCCC1 ZINC000515054991 300287552 /nfs/dbraw/zinc/28/75/52/300287552.db2.gz DXCRPDNQMRMWTQ-QAPCUYQASA-N 2 0 308.441 2.583 20 0 DFADRP C[C@@H]1CC[N@H+](CCNC(=O)CC[C@@H]([NH3+])CC2CCCCC2)C1 ZINC000515062652 300288270 /nfs/dbraw/zinc/28/82/70/300288270.db2.gz KGEPKMCCISGBSM-NVXWUHKLSA-N 2 0 309.498 2.522 20 0 DFADRP O=C1Nc2ccccc2C12CCC([NH2+]CC[C@H]1CCC[NH2+]1)CC2 ZINC000516643656 300353189 /nfs/dbraw/zinc/35/31/89/300353189.db2.gz UEMVXKXVCURHSG-TZGCNFNXSA-N 2 0 313.445 2.551 20 0 DFADRP CC[C@]1(C(=O)NC[C@@H](c2ccc(Cl)cc2)[NH+](C)C)CCC[NH2+]1 ZINC000516774317 300359926 /nfs/dbraw/zinc/35/99/26/300359926.db2.gz MNHIVUNBFVICRC-DOTOQJQBSA-N 2 0 323.868 2.591 20 0 DFADRP CCC[C@H](C)[C@@H]1CCC[N@@H+]1C[C@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC000516932081 300370351 /nfs/dbraw/zinc/37/03/51/300370351.db2.gz AIYODCVBARFQPD-WNHJNPCNSA-N 2 0 304.478 2.818 20 0 DFADRP C[C@@H]([NH2+]Cc1ccnc(OCC(F)(F)F)c1)[C@@H]1CCC[NH2+]C1 ZINC000516958017 300372600 /nfs/dbraw/zinc/37/26/00/300372600.db2.gz SDIHSFZOFTYPTJ-DGCLKSJQSA-N 2 0 317.355 2.500 20 0 DFADRP C[C@H](CCCO)[NH2+][C@H]1CCN(Cc2ccccc2)C2(CC2)C1 ZINC000516969585 300374180 /nfs/dbraw/zinc/37/41/80/300374180.db2.gz BFZFOPAAZDDJTK-AEFFLSMTSA-N 2 0 302.462 2.934 20 0 DFADRP c1ccc(OC2CC[NH+](Cc3ccc4c(c3)C[NH2+]CC4)CC2)nc1 ZINC000516975039 300374696 /nfs/dbraw/zinc/37/46/96/300374696.db2.gz NUXUHJLKZZTMDZ-UHFFFAOYSA-N 2 0 323.440 2.771 20 0 DFADRP CC1CC[NH+](C[C@@H]2CCC[N@H+](C[C@H]3CCCC[C@@H]3O)C2)CC1 ZINC000517032829 300379716 /nfs/dbraw/zinc/37/97/16/300379716.db2.gz CGDGNJGKWMFUMP-OTWHNJEPSA-N 2 0 308.510 2.981 20 0 DFADRP CC[NH+]1CCN(CC(C)(C)[NH2+][C@@H](C)Cc2ccsc2)CC1 ZINC000517501499 300397496 /nfs/dbraw/zinc/39/74/96/300397496.db2.gz JIMKUNLCMXNETF-HNNXBMFYSA-N 2 0 309.523 2.685 20 0 DFADRP C[C@H]([NH2+]C1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1)[C@@H]1C[C@H]1C1CC1 ZINC000527675893 300671319 /nfs/dbraw/zinc/67/13/19/300671319.db2.gz REENITJPWCSKCD-BHWRABCJSA-N 2 0 306.494 2.779 20 0 DFADRP C[C@H]([NH2+]Cc1ccccc1C[NH+]1CCC(O)CC1)[C@H]1CC12CC2 ZINC000527868559 300704378 /nfs/dbraw/zinc/70/43/78/300704378.db2.gz KTWSNRMJAOISQB-HNAYVOBHSA-N 2 0 314.473 2.922 20 0 DFADRP CC(C)[C@@H](C(=O)NC[C@H]1CC[N@@H+]1C1CCCC1)[NH+]1CCCCC1 ZINC000530023202 301004843 /nfs/dbraw/zinc/00/48/43/301004843.db2.gz CSZZAZBQRKNRPZ-MSOLQXFVSA-N 2 0 321.509 2.630 20 0 DFADRP COc1cccc([C@H](C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)OC)c1 ZINC000530213103 301029450 /nfs/dbraw/zinc/02/94/50/301029450.db2.gz UZLFRHQJFIERCS-MKXGPGLRSA-N 2 0 318.461 2.893 20 0 DFADRP C[C@H](N[C@@H]1CC[NH2+]C12CCC2)c1cccc(OCC[NH+](C)C)c1 ZINC000530219669 301030908 /nfs/dbraw/zinc/03/09/08/301030908.db2.gz MLNWSKRGZKZQHF-MAUKXSAKSA-N 2 0 317.477 2.562 20 0 DFADRP C[C@@H](N[C@@H]1CC[NH2+]C12CCC2)c1cccc(OCC[NH+](C)C)c1 ZINC000530219667 301030914 /nfs/dbraw/zinc/03/09/14/301030914.db2.gz MLNWSKRGZKZQHF-CRAIPNDOSA-N 2 0 317.477 2.562 20 0 DFADRP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+]Cc1ccc2cn(C)nc2c1 ZINC000530219746 301031003 /nfs/dbraw/zinc/03/10/03/301031003.db2.gz QEKRKRBRDSWKEG-RHSMWYFYSA-N 2 0 300.450 2.974 20 0 DFADRP CCC(F)(F)C(C)(C)C[NH2+][C@@H]1CCOC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000530219700 301031161 /nfs/dbraw/zinc/03/11/61/301031161.db2.gz QAWBHZLFQHEFMM-HZSPNIEDSA-N 2 0 304.425 2.805 20 0 DFADRP COc1cccc(C[C@H]([NH2+][C@@H]2CC[NH2+]C23CCC3)C2CC2)c1 ZINC000530224322 301031433 /nfs/dbraw/zinc/03/14/33/301031433.db2.gz WBVGTOUEAODRRR-ZWKOTPCHSA-N 2 0 300.446 2.891 20 0 DFADRP CO[C@@H](Cc1ccc(F)cc1)C[NH+]1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000530223070 301031839 /nfs/dbraw/zinc/03/18/39/301031839.db2.gz OGGAXPWVXIMMIR-RBUKOAKNSA-N 2 0 320.452 2.847 20 0 DFADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)Nc1ccc2c(c1)OCC[NH2+]C2 ZINC000530247486 301033766 /nfs/dbraw/zinc/03/37/66/301033766.db2.gz UVVZXITZJFBTAQ-ZBFHGGJFSA-N 2 0 303.450 2.891 20 0 DFADRP COc1ccc(C[NH+]2CCC(CO[C@H]3CC[NH2+]C3)CC2)cc1C ZINC000530248759 301034125 /nfs/dbraw/zinc/03/41/25/301034125.db2.gz OWSCWBZNAJXHQP-SFHVURJKSA-N 2 0 318.461 2.594 20 0 DFADRP c1ccc([C@@H]2C[C@H]2C[NH+]2CCC(CO[C@H]3CC[NH2+]C3)CC2)cc1 ZINC000530248984 301034231 /nfs/dbraw/zinc/03/42/31/301034231.db2.gz RSGQHVBIJPPOER-UFYCRDLUSA-N 2 0 314.473 2.881 20 0 DFADRP COc1cc(C[NH+]2CCC(CO[C@@H]3CC[NH2+]C3)CC2)ccc1C ZINC000530248789 301034309 /nfs/dbraw/zinc/03/43/09/301034309.db2.gz PBOSGLFVUCAICN-GOSISDBHSA-N 2 0 318.461 2.594 20 0 DFADRP OC1(C(F)(F)F)CCC([NH2+]C2CC([NH+]3CCCCC3)C2)CC1 ZINC000530371772 301043174 /nfs/dbraw/zinc/04/31/74/301043174.db2.gz UFRFLICKVOWWQR-UHFFFAOYSA-N 2 0 320.399 2.829 20 0 DFADRP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@@H](CC1CC1)c1ccccc1 ZINC000531720177 301105826 /nfs/dbraw/zinc/10/58/26/301105826.db2.gz QQXVZAFRFLKZNP-APWZRJJASA-N 2 0 301.478 2.753 20 0 DFADRP CC[C@H]1CCC[C@H]1[NH2+]Cc1cccnc1N1CC[NH+](C)CC1 ZINC000532210385 301136927 /nfs/dbraw/zinc/13/69/27/301136927.db2.gz DCWWEEQDDWUKCO-DOTOQJQBSA-N 2 0 302.466 2.502 20 0 DFADRP C[C@@H]1CC[N@H+](CCN[C@@H]2CC[NH+](Cc3ccccc3)C[C@H]2C)C1 ZINC000532239219 301139127 /nfs/dbraw/zinc/13/91/27/301139127.db2.gz KDTJTYWPHZOBOG-QWFCFKBJSA-N 2 0 315.505 2.828 20 0 DFADRP C[C@H]1CCCN(CC[NH2+]C2CCC(O)(C(F)(F)F)CC2)C1 ZINC000532447648 301152943 /nfs/dbraw/zinc/15/29/43/301152943.db2.gz PZCXFJXWEYLNAE-HSBZDZAISA-N 2 0 308.388 2.544 20 0 DFADRP C[NH+](C)[C@@H]1CCC[C@H]([NH2+]C2CCC(O)(C(F)(F)F)CC2)C1 ZINC000532549631 301159242 /nfs/dbraw/zinc/15/92/42/301159242.db2.gz FURGPYFEGMCBCW-YIFLHPOLSA-N 2 0 308.388 2.685 20 0 DFADRP C[NH+]1CCN(c2cc[nH+]cc2NCc2cccc3[nH]ccc32)CC1 ZINC000532805516 301173792 /nfs/dbraw/zinc/17/37/92/301173792.db2.gz ZVUZJAJKMMTWKS-UHFFFAOYSA-N 2 0 321.428 2.927 20 0 DFADRP CC[C@@H](C)[C@@H]1CCCC[N@@H+]1CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000532967392 301179898 /nfs/dbraw/zinc/17/98/98/301179898.db2.gz AWNGWRDNBIRVAJ-QAPCUYQASA-N 2 0 321.509 2.630 20 0 DFADRP CCc1ccc(CNc2c[nH+]ccc2N2CC[NH+](C)CC2)o1 ZINC000533125539 301188280 /nfs/dbraw/zinc/18/82/80/301188280.db2.gz NULBGGFIOGIDLZ-UHFFFAOYSA-N 2 0 300.406 2.601 20 0 DFADRP CCn1c2ccccc2nc1CN(C)C1CC[NH+](CC)CC1 ZINC000535069751 301247326 /nfs/dbraw/zinc/24/73/26/301247326.db2.gz AZUVAFCYDNVQQG-UHFFFAOYSA-N 2 0 300.450 2.972 20 0 DFADRP C[C@@H]1C[C@@H]1c1ccc(C[NH2+]CCCC[NH+]2CCN(C)CC2)o1 ZINC000537237868 301296807 /nfs/dbraw/zinc/29/68/07/301296807.db2.gz UCSKTUFANRVGNI-WBVHZDCISA-N 2 0 305.466 2.520 20 0 DFADRP Cc1nccn1C[C@@H]1CCC[N@@H+]1Cc1cc(-c2cccnc2)n[nH]1 ZINC000539862178 301352487 /nfs/dbraw/zinc/35/24/87/301352487.db2.gz IVEFJPUIZIQDBC-KRWDZBQOSA-N 2 0 322.416 2.641 20 0 DFADRP c1cc(N2CCN(CCC[NH2+]C3CCCCCC3)CC2)cc[nH+]1 ZINC000548814049 301616474 /nfs/dbraw/zinc/61/64/74/301616474.db2.gz INJFLZNCUXKWAH-UHFFFAOYSA-N 2 0 316.493 2.906 20 0 DFADRP CSC1(C[NH2+]Cc2ccc(F)cc2F)CC[NH+](C)CC1 ZINC000562082008 301950588 /nfs/dbraw/zinc/95/05/88/301950588.db2.gz BDQNMWDOBDNJLU-UHFFFAOYSA-N 2 0 300.418 2.882 20 0 DFADRP C([C@H]1CCOC1)[NH+]1CCC([NH2+]C2CCC3(CCCO3)CC2)CC1 ZINC000562302985 301959523 /nfs/dbraw/zinc/95/95/23/301959523.db2.gz FQOBENVFUXUODA-LRYGQEGESA-N 2 0 322.493 2.569 20 0 DFADRP C[C@H]([NH2+]C[C@H]1CCCN(Cc2cccs2)C1)[C@@H]1CCC[NH2+]C1 ZINC000562959056 302018234 /nfs/dbraw/zinc/01/82/34/302018234.db2.gz QDNJHIDSCABAIA-GVDBMIGSSA-N 2 0 321.534 2.938 20 0 DFADRP CCC[N@H+](CC)Cc1ccc(C(=O)N2CC[C@@H]([NH3+])C[C@@H]2C)cc1 ZINC000563349376 302065036 /nfs/dbraw/zinc/06/50/36/302065036.db2.gz HQFCSDJEKDSRML-MAUKXSAKSA-N 2 0 317.477 2.870 20 0 DFADRP C[C@@H]1C[N@H+](CCCc2cncn2C)CCN1Cc1ccccc1 ZINC000563366899 302067081 /nfs/dbraw/zinc/06/70/81/302067081.db2.gz KFQHIGZGLSUQFI-QGZVFWFLSA-N 2 0 312.461 2.559 20 0 DFADRP Cn1cncc1CCCN1CCOC[C@H]1c1ccc(F)cc1 ZINC000563367216 302067220 /nfs/dbraw/zinc/06/72/20/302067220.db2.gz UYKVNMMWAOLDIK-KRWDZBQOSA-N 2 0 303.381 2.565 20 0 DFADRP [NH3+][C@H]1CCC[C@H]([NH2+]Cc2cc(F)cc(Br)c2)C1 ZINC000563427384 302071467 /nfs/dbraw/zinc/07/14/67/302071467.db2.gz YGDDFZPYCXIURD-STQMWFEESA-N 2 0 301.203 2.948 20 0 DFADRP [NH3+][C@@H]1CCC[C@@H]([NH2+]Cc2ccc(N3CCCCCC3)nc2)C1 ZINC000563427314 302071630 /nfs/dbraw/zinc/07/16/30/302071630.db2.gz XODIDMQGVHWFII-IAGOWNOFSA-N 2 0 302.466 2.822 20 0 DFADRP C[C@@H]([NH2+]CCc1nc(-c2ccccn2)cs1)[C@H]1CCC[NH2+]C1 ZINC000563446116 302073843 /nfs/dbraw/zinc/07/38/43/302073843.db2.gz WBHNJSKKDCOLEK-KGLIPLIRSA-N 2 0 316.474 2.725 20 0 DFADRP Fc1cc(OCCN2CC[C@@]3(C2)CCC[NH2+]C3)ccc1Cl ZINC000563810045 302099911 /nfs/dbraw/zinc/09/99/11/302099911.db2.gz BLJIVYYKQZJFBV-INIZCTEOSA-N 2 0 312.816 2.933 20 0 DFADRP [NH3+][C@H]1CCC[C@H]([NH2+]C[C@@H]2C[C@H](F)CN2Cc2cccs2)C1 ZINC000564099390 302119479 /nfs/dbraw/zinc/11/94/79/302119479.db2.gz JXDGKRPFXBTBNP-AJNGGQMLSA-N 2 0 311.470 2.520 20 0 DFADRP Cc1ccc(C)c(OC[C@@H](O)C[NH2+][C@@H](C)C(C)(C)C[NH+](C)C)c1 ZINC000564319862 302128366 /nfs/dbraw/zinc/12/83/66/302128366.db2.gz QHRSVHKTZDFLIB-IRXDYDNUSA-N 2 0 322.493 2.609 20 0 DFADRP CCCC[N@H+](C)C[C@H](C)NC(=O)[C@H]1CC[NH+](C2CCCCC2)C1 ZINC000564545349 302140284 /nfs/dbraw/zinc/14/02/84/302140284.db2.gz GATMECMJCAYWAW-IRXDYDNUSA-N 2 0 323.525 2.878 20 0 DFADRP C[N@H+](CCC(=O)NC(C)(C)C[NH+]1CCCC1)C1CCCCC1 ZINC000564636156 302146333 /nfs/dbraw/zinc/14/63/33/302146333.db2.gz GEXFELUROZPFIQ-UHFFFAOYSA-N 2 0 309.498 2.632 20 0 DFADRP COC1([C@@H](C)[NH2+]Cc2cn(-c3cc[nH+]cc3)nc2C)CCC1 ZINC000564784397 302158161 /nfs/dbraw/zinc/15/81/61/302158161.db2.gz UYWZQXLQKMBPOL-CQSZACIVSA-N 2 0 300.406 2.623 20 0 DFADRP C[C@H]1CCC[N@H+](CCCC[NH2+]C[C@@H](O)COc2ccccc2)C1 ZINC000564843765 302163100 /nfs/dbraw/zinc/16/31/00/302163100.db2.gz FRYWLDGOMMVLTO-ZWKOTPCHSA-N 2 0 320.477 2.528 20 0 DFADRP C[C@H]1CCC[N@H+](CCCC[NH2+]CCC(=O)Nc2cccnc2)C1 ZINC000564845040 302163105 /nfs/dbraw/zinc/16/31/05/302163105.db2.gz QWKWXOLBXFJCCD-INIZCTEOSA-N 2 0 318.465 2.512 20 0 DFADRP C[C@H]1CCCC[N@@H+]1CCCC[NH2+]C[C@@H](O)COc1ccccc1 ZINC000564845976 302163666 /nfs/dbraw/zinc/16/36/66/302163666.db2.gz YAQWLAREBHYPLC-ZWKOTPCHSA-N 2 0 320.477 2.671 20 0 DFADRP COc1cccc2c1CC[N@H+](Cc1ccc3c(c1)C[NH2+]CC3)C2 ZINC000565092627 302193144 /nfs/dbraw/zinc/19/31/44/302193144.db2.gz BJBRSDBMJWSQBW-UHFFFAOYSA-N 2 0 308.425 2.899 20 0 DFADRP CC[NH+](CC)CCCC1CCN(C(=O)C[N@@H+]2CC[C@@H](C)C2)CC1 ZINC000565192964 302205126 /nfs/dbraw/zinc/20/51/26/302205126.db2.gz SBOHYJHGWRWURO-QGZVFWFLSA-N 2 0 323.525 2.689 20 0 DFADRP CC(C)[N@H+](C)Cc1ccccc1C[NH2+]C[C@@H](O)CC(F)(F)F ZINC000565357859 302220825 /nfs/dbraw/zinc/22/08/25/302220825.db2.gz BCAFQESWCXCUIN-HNNXBMFYSA-N 2 0 318.383 2.930 20 0 DFADRP [NH3+][C@H]1CCC[C@@H]([NH2+]CCc2cc(Br)ccc2F)C1 ZINC000565491110 302227716 /nfs/dbraw/zinc/22/77/16/302227716.db2.gz NESOZIMVATVTMO-QWHCGFSZSA-N 2 0 315.230 2.990 20 0 DFADRP CCO[C@H]1C[C@@H]([NH2+]CC2([NH3+])CCCCCC2)C12CCOCC2 ZINC000565827636 302243730 /nfs/dbraw/zinc/24/37/30/302243730.db2.gz QZQCYTAFOUCEOT-CVEARBPZSA-N 2 0 310.482 2.602 20 0 DFADRP CCN(C(=O)CCCC[NH3+])[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000565890561 302247573 /nfs/dbraw/zinc/24/75/73/302247573.db2.gz UJYLNBGYVVPHAP-FUHWJXTLSA-N 2 0 317.477 2.799 20 0 DFADRP C[C@H](c1ccncc1)[NH+]1CCC(N[C@H]2CCCCC[C@H]2[NH3+])CC1 ZINC000566090769 302258796 /nfs/dbraw/zinc/25/87/96/302258796.db2.gz LTRCTXKMMPLNLO-LZQZEXGQSA-N 2 0 316.493 2.857 20 0 DFADRP C[C@@H]1CCC[N@H+](CCCC[NH2+]C[C@@H](O)Cc2ccc(F)cc2)C1 ZINC000566106169 302259823 /nfs/dbraw/zinc/25/98/23/302259823.db2.gz IXDNPPJPEIFRFB-APWZRJJASA-N 2 0 322.468 2.831 20 0 DFADRP C[N@H+](Cc1ccco1)Cc1ccccc1C[NH2+]CC1(O)CCC1 ZINC000566114445 302260610 /nfs/dbraw/zinc/26/06/10/302260610.db2.gz AJOZYLVQXHIMGD-UHFFFAOYSA-N 2 0 314.429 2.916 20 0 DFADRP CC(C)C[N@@H+]1CCC[C@H](C[NH2+]C[C@@H](O)CCc2ccccc2)C1 ZINC000566114538 302260881 /nfs/dbraw/zinc/26/08/81/302260881.db2.gz IZPINZIHWADANS-UXHICEINSA-N 2 0 318.505 2.938 20 0 DFADRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H]2CCC[C@@H](F)C2)[C@@H](C)C1 ZINC000566220308 302268571 /nfs/dbraw/zinc/26/85/71/302268571.db2.gz JPVOBCVKJFCOME-HZMVEIRTSA-N 2 0 300.462 2.994 20 0 DFADRP CC(C)CCC[C@@H](C)NC(=O)C[NH+]1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000566243385 302269445 /nfs/dbraw/zinc/26/94/45/302269445.db2.gz UNXWGMIAJQBJHB-AEFFLSMTSA-N 2 0 323.525 2.639 20 0 DFADRP CC(C)[NH+](CCCNC(=O)[C@H]1CCCCCC[C@H]1[NH3+])C(C)C ZINC000566676432 302303155 /nfs/dbraw/zinc/30/31/55/302303155.db2.gz NFQIQKRHHYVVDT-DLBZAZTESA-N 2 0 311.514 2.909 20 0 DFADRP [NH3+][C@H]1CCC[C@H]([NH2+]CCC2CCN(CC(F)(F)F)CC2)C1 ZINC000566865844 302318583 /nfs/dbraw/zinc/31/85/83/302318583.db2.gz FQPXWHCKGUUGSP-KBPBESRZSA-N 2 0 307.404 2.510 20 0 DFADRP C[C@@H](CC1CCCC1)[NH2+]CC(=O)NCC[NH+]1CCCCCC1 ZINC000566990244 302327773 /nfs/dbraw/zinc/32/77/73/302327773.db2.gz VUGPAZZRWHJMLM-INIZCTEOSA-N 2 0 309.498 2.537 20 0 DFADRP C[C@@H]1C[N@H+](CCC[NH2+]Cc2ccnc3ccccc23)CCCO1 ZINC000567010559 302328809 /nfs/dbraw/zinc/32/88/09/302328809.db2.gz QITXVGIDWFJSGY-MRXNPFEDSA-N 2 0 313.445 2.825 20 0 DFADRP C[C@@H](CNC(=O)CC[C@H]([NH3+])CC1CCCCC1)[NH+]1CCCC1 ZINC000567164808 302341008 /nfs/dbraw/zinc/34/10/08/302341008.db2.gz XLYIKSOGZVOGHU-RDJZCZTQSA-N 2 0 309.498 2.665 20 0 DFADRP C[C@H](CCc1cccc(F)c1)N(CC[NH+](C)C)CC[NH+](C)C ZINC000567399566 302356397 /nfs/dbraw/zinc/35/63/97/302356397.db2.gz JIDNCLAKMNXEKC-MRXNPFEDSA-N 2 0 309.473 2.572 20 0 DFADRP CC(C)[N@H+](C)CC1CCN(C(=O)C[C@@H](C)C2CC[NH2+]CC2)CC1 ZINC000567497174 302364464 /nfs/dbraw/zinc/36/44/64/302364464.db2.gz JEZSVMCYLARHDQ-MRXNPFEDSA-N 2 0 323.525 2.591 20 0 DFADRP CC(C)CCCCC(=O)Nc1c[nH+]ccc1N1CCN(C)CC1 ZINC000567580025 302369868 /nfs/dbraw/zinc/36/98/68/302369868.db2.gz KBEFQIDYFVOXKO-UHFFFAOYSA-N 2 0 318.465 2.988 20 0 DFADRP CCn1ccnc1[C@H]1OCC[C@@H]1[NH2+][C@@H](C)C[C@@H]1CCCCC[NH2+]1 ZINC000567589595 302370613 /nfs/dbraw/zinc/37/06/13/302370613.db2.gz QBUODADBVNSPOL-QAETUUGQSA-N 2 0 320.481 2.633 20 0 DFADRP C[C@H]([NH2+][C@H]1CCN(c2cccc(Cl)c2)C1)[C@H]1CCC[NH2+]C1 ZINC000567641181 302375825 /nfs/dbraw/zinc/37/58/25/302375825.db2.gz KHMJRKMZEIJEMZ-DZKIICNBSA-N 2 0 307.869 2.896 20 0 DFADRP C[C@H]([NH2+]Cc1ccnc(OC2CCCC2)c1)[C@H]1CCC[NH2+]C1 ZINC000567648403 302376354 /nfs/dbraw/zinc/37/63/54/302376354.db2.gz LNPCDCPZEMDCOJ-HOCLYGCPSA-N 2 0 303.450 2.881 20 0 DFADRP CC[N@H+](C)CCN[C@@H]1CC[NH+](Cc2ccccc2)C2(CC2)C1 ZINC000567851626 302392942 /nfs/dbraw/zinc/39/29/42/302392942.db2.gz STYALLPNASNPMM-GOSISDBHSA-N 2 0 301.478 2.725 20 0 DFADRP CC[N@H+](CCCn1c2ccccc2[nH]c1=O)[C@H]1CCC[NH2+]CC1 ZINC000567890063 302396710 /nfs/dbraw/zinc/39/67/10/302396710.db2.gz FMGIIBGNHAQEOK-HNNXBMFYSA-N 2 0 316.449 2.596 20 0 DFADRP CC[N@H+](CCCn1c2ccccc2[nH]c1=O)[C@@H]1CCC[NH2+]CC1 ZINC000567890064 302396807 /nfs/dbraw/zinc/39/68/07/302396807.db2.gz FMGIIBGNHAQEOK-OAHLLOKOSA-N 2 0 316.449 2.596 20 0 DFADRP COc1ccc(-c2n[nH]cc2C[NH+]2CCC(CC[NH3+])CC2)cc1 ZINC000568007511 302409189 /nfs/dbraw/zinc/40/91/89/302409189.db2.gz PBHQEJLLHOCMSZ-UHFFFAOYSA-N 2 0 314.433 2.646 20 0 DFADRP CC(C)[NH2+]CC(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC000568287082 302439278 /nfs/dbraw/zinc/43/92/78/302439278.db2.gz QCKUEWCHYMLRED-UHFFFAOYSA-N 2 0 303.450 2.652 20 0 DFADRP CC[NH+]1CCN([C@@H](C)C[NH2+][C@H](C)[C@@H]2C[C@H]2c2ccccc2)CC1 ZINC000569125502 302501503 /nfs/dbraw/zinc/50/15/03/302501503.db2.gz OTYONUJIUBIHBV-HNJRGHQBSA-N 2 0 315.505 2.794 20 0 DFADRP C[C@@](O)(C[NH2+]Cc1cccc(C[NH+]2CCCC2)c1)C(F)(F)F ZINC000569837794 302541113 /nfs/dbraw/zinc/54/11/13/302541113.db2.gz VXDJHPVPRHIGLM-OAHLLOKOSA-N 2 0 316.367 2.685 20 0 DFADRP C[C@H]([NH2+][C@@H]1CC(C)(C)Oc2ccc(N)cc21)[C@@H]1CCC[NH2+]C1 ZINC000569942417 302547694 /nfs/dbraw/zinc/54/76/94/302547694.db2.gz SXZKSAFBFQXCOR-WOSRLPQWSA-N 2 0 303.450 2.849 20 0 DFADRP CC[NH+](CC)CCOC1CC[NH+](CCc2ccncc2C)CC1 ZINC000572359555 302657639 /nfs/dbraw/zinc/65/76/39/302657639.db2.gz MPCRSTNAWAQVOF-UHFFFAOYSA-N 2 0 319.493 2.755 20 0 DFADRP [NH3+]CCCN(CC1CCCC1)C(=O)CC[C@@H]([NH3+])c1ccccc1 ZINC000572705381 302677328 /nfs/dbraw/zinc/67/73/28/302677328.db2.gz DZUIWDHFZYBVCU-GOSISDBHSA-N 2 0 317.477 2.834 20 0 DFADRP [NH3+][C@H](CCC(=O)N1CC[NH2+]C[C@@H]1c1ccccc1)c1ccccc1 ZINC000572976472 302687342 /nfs/dbraw/zinc/68/73/42/302687342.db2.gz VZYIRXBFDVEFTF-RTBURBONSA-N 2 0 323.440 2.640 20 0 DFADRP C[C@H]([NH2+]CC1CC[NH2+]CC1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000573355152 302701963 /nfs/dbraw/zinc/70/19/63/302701963.db2.gz SYBLWZXSBLWDJA-ZDUSSCGKSA-N 2 0 316.449 2.621 20 0 DFADRP C[NH+](C)CCN1CCC([NH2+][C@H]2CCCc3cc(F)ccc32)CC1 ZINC000182341536 316097349 /nfs/dbraw/zinc/09/73/49/316097349.db2.gz DRRGERUKNCKPCL-IBGZPJMESA-N 2 0 319.468 2.819 20 0 DFADRP CC[NH+]1CCN([C@@H](C)C[NH2+][C@H](C)c2cccc(F)c2F)CC1 ZINC000183223301 316134124 /nfs/dbraw/zinc/13/41/24/316134124.db2.gz FYICFQPQNILLRS-UONOGXRCSA-N 2 0 311.420 2.641 20 0 DFADRP C[C@@H](C[NH2+][C@@H](C)C12CC3CC(CC(C3)C1)C2)N1CC[NH+](C)CC1 ZINC000185366088 316185981 /nfs/dbraw/zinc/18/59/81/316185981.db2.gz SIBLDXFHQNBJDF-VPWCILEZSA-N 2 0 319.537 2.817 20 0 DFADRP c1ccc(C[NH+]2CCN(Cc3ccc4c(c3)C[NH2+]CC4)CC2)cc1 ZINC000309983447 316237813 /nfs/dbraw/zinc/23/78/13/316237813.db2.gz ZDQIQUBVZUUPFE-UHFFFAOYSA-N 2 0 321.468 2.650 20 0 DFADRP COCCOc1cccc(C[NH2+][C@@H]2C[C@@H](C)[N@H+](C)C[C@@H]2C)c1 ZINC000341902241 316310910 /nfs/dbraw/zinc/31/09/10/316310910.db2.gz SLACMWFQAIPPME-HDMKZQKVSA-N 2 0 306.450 2.530 20 0 DFADRP Cc1[nH+]cc2n1CC[C@H](c1nc(-c3ccn4c[nH+]cc4c3)no1)C2 ZINC000350474548 316391868 /nfs/dbraw/zinc/39/18/68/316391868.db2.gz PVPXKXHCSRRVIV-ZDUSSCGKSA-N 2 0 320.356 2.619 20 0 DFADRP CC(C)CC[C@@H]([NH2+]C[C@@H](C)N1CC[NH+](C)CC1)c1ccoc1 ZINC000353512019 316527295 /nfs/dbraw/zinc/52/72/95/316527295.db2.gz CIIGQRYYDGSVAS-SJLPKXTDSA-N 2 0 307.482 2.982 20 0 DFADRP OC1(C[NH2+]C2CC3(CCC3)C2)CC[NH+](Cc2ccccc2)CC1 ZINC000414523564 316617806 /nfs/dbraw/zinc/61/78/06/316617806.db2.gz INBCRCWLPIQVHU-UHFFFAOYSA-N 2 0 314.473 2.936 20 0 DFADRP C[C@H]1C[C@H](C[NH+]2CCC(c3ncc4n3CCCC4)CC2)CC[NH2+]1 ZINC000414756478 316647574 /nfs/dbraw/zinc/64/75/74/316647574.db2.gz JRSKYNDVLUECIL-JKSUJKDBSA-N 2 0 316.493 2.787 20 0 DFADRP C[C@H](CCc1ccc(Cl)s1)[NH2+]CCCN1CC[NH2+]CC1 ZINC000414777826 316651771 /nfs/dbraw/zinc/65/17/71/316651771.db2.gz HNQSOEGUQBGYIJ-CYBMUJFWSA-N 2 0 315.914 2.608 20 0 DFADRP Clc1ccc(CN2CCC([NH2+]C3CC[NH2+]CC3)CC2)cc1 ZINC000414785300 316655185 /nfs/dbraw/zinc/65/51/85/316655185.db2.gz VABXTHRRDXXJAV-UHFFFAOYSA-N 2 0 307.869 2.646 20 0 DFADRP COc1ccccc1/C=C/C[NH+]1CCC([C@@H]2OCC[C@H]2[NH3+])CC1 ZINC000414789783 316658213 /nfs/dbraw/zinc/65/82/13/316658213.db2.gz OOORBTLEBVLSFK-LRSLKPCPSA-N 2 0 316.445 2.537 20 0 DFADRP COc1ccc([C@@H](C)C[NH+]2CCC([C@@H]3OCC[C@H]3[NH3+])CC2)cc1 ZINC000414792793 316658891 /nfs/dbraw/zinc/65/88/91/316658891.db2.gz SKDVLADAFDANTA-KYNGSXCRSA-N 2 0 318.461 2.627 20 0 DFADRP COc1cc(Br)ccc1C[NH2+][C@@H]1CCC[C@@H]1C[NH3+] ZINC000414793540 316659656 /nfs/dbraw/zinc/65/96/56/316659656.db2.gz DRJWAWXBUMIRRM-ZWNOBZJWSA-N 2 0 313.239 2.675 20 0 DFADRP [NH3+]C[C@@H]1CCC[C@H]1[NH2+]Cc1cnn(-c2ccc(Cl)cc2)c1 ZINC000414793242 316660339 /nfs/dbraw/zinc/66/03/39/316660339.db2.gz JZSFCGMZTZBXBV-XJKSGUPXSA-N 2 0 304.825 2.743 20 0 DFADRP COC(=O)c1ccc(Cl)c(C[NH2+][C@@H]2CCCC[C@H]2C[NH3+])c1 ZINC000414803277 316663099 /nfs/dbraw/zinc/66/30/99/316663099.db2.gz NNYVWFFYALCPAZ-SWLSCSKDSA-N 2 0 310.825 2.734 20 0 DFADRP C[C@@H]([NH3+])c1ccc(CNC(=O)NCC2([NH3+])CCCCCC2)cc1 ZINC000418287492 316718139 /nfs/dbraw/zinc/71/81/39/316718139.db2.gz UAPFNOZPPYIUGC-CQSZACIVSA-N 2 0 318.465 2.557 20 0 DFADRP CC(C)CC[C@@H]1CCC[C@H]1NC(=O)CCC[NH+]1CCC([NH3+])CC1 ZINC000433134993 316879840 /nfs/dbraw/zinc/87/98/40/316879840.db2.gz ICCQGLJGOXDQQE-FUHWJXTLSA-N 2 0 323.525 2.911 20 0 DFADRP Cc1ccc([C@@H](C)NC(=O)CCC[NH+]2CCC([NH3+])CC2)cc1C ZINC000433135772 316879896 /nfs/dbraw/zinc/87/98/96/316879896.db2.gz VPOIVVQEMWAJPR-MRXNPFEDSA-N 2 0 317.477 2.684 20 0 DFADRP [NH3+]C1CC[NH+](CCCC(=O)N2CCC[C@H]2C2CCCCC2)CC1 ZINC000433150718 316882450 /nfs/dbraw/zinc/88/24/50/316882450.db2.gz XIBBJAZIZNRGDX-SFHVURJKSA-N 2 0 321.509 2.761 20 0 DFADRP CC(C)(C)[C@@H]1CCCC[C@@H]1NC(=O)CCC[NH+]1CCC([NH3+])CC1 ZINC000433160072 316884035 /nfs/dbraw/zinc/88/40/35/316884035.db2.gz GHDOZYISNXGWMM-SJORKVTESA-N 2 0 323.525 2.911 20 0 DFADRP CCc1cc(N2CCC(C[NH+]3C[C@@H](C)O[C@H](C)C3)CC2)cc[nH+]1 ZINC000450300447 317081150 /nfs/dbraw/zinc/08/11/50/317081150.db2.gz CXPHWTSNWAHJEU-HZPDHXFCSA-N 2 0 317.477 2.970 20 0 DFADRP CN(C)CC[NH+]1CCC(C[NH2+][C@@H](C2CC2)C2CCCC2)CC1 ZINC000453105493 317163530 /nfs/dbraw/zinc/16/35/30/317163530.db2.gz HOCWRRFQTZSJHJ-LJQANCHMSA-N 2 0 307.526 2.818 20 0 DFADRP CC(C)CC[NH+]1CCC(C[NH2+][C@H](C)Cc2cnccn2)CC1 ZINC000453127710 317164260 /nfs/dbraw/zinc/16/42/60/317164260.db2.gz LUFFUPRAWGXFAA-MRXNPFEDSA-N 2 0 304.482 2.755 20 0 DFADRP C[C@@H](Cc1cnccn1)[NH2+]CC[C@H](C)[N@H+](C)Cc1ccccc1 ZINC000453146610 317165123 /nfs/dbraw/zinc/16/51/23/317165123.db2.gz XIIUPJZVMXUQFX-IRXDYDNUSA-N 2 0 312.461 2.908 20 0 DFADRP C[C@@H]([NH2+][C@@H]1COCC1(C)C)c1ccc(OCC[NH+](C)C)cc1 ZINC000453386857 317182299 /nfs/dbraw/zinc/18/22/99/317182299.db2.gz WBQJWUTVLTZAHL-RHSMWYFYSA-N 2 0 306.450 2.703 20 0 DFADRP Cc1ccc(-c2n[nH]cc2C[NH2+]CCCC[N@@H+](C)C2CC2)o1 ZINC000453592907 317191760 /nfs/dbraw/zinc/19/17/60/317191760.db2.gz FVOUIOHYWAMJEF-UHFFFAOYSA-N 2 0 302.422 2.942 20 0 DFADRP C[N@H+](CCCC[NH2+]Cc1ncc(Br)s1)C1CC1 ZINC000453592845 317191793 /nfs/dbraw/zinc/19/17/93/317191793.db2.gz FKZSDAJEXCOJRB-UHFFFAOYSA-N 2 0 318.284 2.870 20 0 DFADRP CC(C)[C@H](C(=O)NC1CC[NH+](C2CCC2)CC1)[NH+]1CCCCC1 ZINC000456679435 317242911 /nfs/dbraw/zinc/24/29/11/317242911.db2.gz AFJKSNLLURNLET-GOSISDBHSA-N 2 0 321.509 2.630 20 0 DFADRP C[C@@H](O)C[N@H+](C)C1CC[NH+](CC2CCC(F)(F)CC2)CC1 ZINC000459335905 317319774 /nfs/dbraw/zinc/31/97/74/317319774.db2.gz OYHGLYBMJUFQOW-CYBMUJFWSA-N 2 0 304.425 2.589 20 0 DFADRP CC[NH+](CC)Cc1ccc(NC(=O)[C@@H]2C[N@H+](C)C[C@H]2C)cc1 ZINC000487437668 317346042 /nfs/dbraw/zinc/34/60/42/317346042.db2.gz IRGIDGBAAINJOU-RHSMWYFYSA-N 2 0 303.450 2.665 20 0 DFADRP CC[NH+]1CCN(CCC[NH2+][C@H]2CS[C@H](C(C)(C)C)C2)CC1 ZINC000488414216 317390702 /nfs/dbraw/zinc/39/07/02/317390702.db2.gz NEFPXGAROYVWGL-CVEARBPZSA-N 2 0 313.555 2.524 20 0 DFADRP CC[NH+]1CCN(Cc2ccc(C[NH2+]C[C@H]3C[C@H]3C)cc2)CC1 ZINC000488412034 317390823 /nfs/dbraw/zinc/39/08/23/317390823.db2.gz KXXGCFKPCFYZJT-VQIMIIECSA-N 2 0 301.478 2.570 20 0 DFADRP CC[NH+]1CCN(CCC[NH2+][C@H]2CS[C@@H](C(C)(C)C)C2)CC1 ZINC000488414218 317391070 /nfs/dbraw/zinc/39/10/70/317391070.db2.gz NEFPXGAROYVWGL-HZPDHXFCSA-N 2 0 313.555 2.524 20 0 DFADRP C[C@H]1C[C@H]1C[NH2+]CCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000488421648 317391770 /nfs/dbraw/zinc/39/17/70/317391770.db2.gz SYSKTQDDQGVIJM-ROUUACIJSA-N 2 0 301.478 2.834 20 0 DFADRP C[C@@H](C[NH2+]Cc1ccc(C(F)F)cc1)CN1CC[NH+](C)CC1 ZINC000526978663 317739274 /nfs/dbraw/zinc/73/92/74/317739274.db2.gz FKNPKLVRBNYVIN-AWEZNQCLSA-N 2 0 311.420 2.597 20 0 DFADRP C[C@@H]1CCCC[C@H]1[NH+]1CCC(N[C@H]2CC[NH2+]C23CCC3)CC1 ZINC000530179938 317773733 /nfs/dbraw/zinc/77/37/33/317773733.db2.gz YZRBRLLGQKELCC-NXHRZFHOSA-N 2 0 305.510 2.904 20 0 DFADRP [NH3+][C@@H]1CCC[C@@H]([NH2+]CCc2coc(-c3ccc(F)cc3)n2)C1 ZINC000565903517 317932555 /nfs/dbraw/zinc/93/25/55/317932555.db2.gz JDQAFYISWJJPDS-HUUCEWRRSA-N 2 0 303.381 2.883 20 0 DFADRP CC[NH+](CC)C[C@H]1CCCC[C@H]1NC(=O)CCCC[NH+](C)C ZINC000568825854 317963531 /nfs/dbraw/zinc/96/35/31/317963531.db2.gz DQYISNLRHWJBAQ-IAGOWNOFSA-N 2 0 311.514 2.735 20 0 DFADRP CN1CC[NH+](CC2CC[NH+](CCC3CCCCC3)CC2)CC1 ZINC000571365331 317982608 /nfs/dbraw/zinc/98/26/08/317982608.db2.gz LHZIESRSEMTUBD-UHFFFAOYSA-N 2 0 307.526 2.916 20 0 DFADRP CCC[NH+]1CCC(C[NH2+]C[C@@H](O)Cc2cccc(Cl)c2)CC1 ZINC000573236496 318014669 /nfs/dbraw/zinc/01/46/69/318014669.db2.gz BOKKFCVXCZNNIC-SFHVURJKSA-N 2 0 324.896 2.955 20 0 DFADRP C[NH+](C)CC1CCC(NC(=O)CC[C@H]([NH3+])c2ccccc2)CC1 ZINC000574803012 318041036 /nfs/dbraw/zinc/04/10/36/318041036.db2.gz LOKYXKPHNOHDCQ-VJFUWPCTSA-N 2 0 317.477 2.703 20 0 DFADRP C[C@@H]1C[C@H]([NH2+]CCc2ccc(OCC[NH+](C)C)cc2)C[C@H](C)O1 ZINC000575747689 318080741 /nfs/dbraw/zinc/08/07/41/318080741.db2.gz JXFSQQKEXOJYCV-VQFNDLOPSA-N 2 0 320.477 2.715 20 0 DFADRP CN1CC[NH2+]C[C@H]1CNCc1ccc(-c2ccc(Cl)cc2)o1 ZINC000576129649 318105987 /nfs/dbraw/zinc/10/59/87/318105987.db2.gz WHQSEOCSRDATQU-HNNXBMFYSA-N 2 0 319.836 2.593 20 0 DFADRP CCc1cccc(C[NH2+]C2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)c1 ZINC000576522762 318132460 /nfs/dbraw/zinc/13/24/60/318132460.db2.gz FWQFOKJWDQTFNJ-RTBURBONSA-N 2 0 302.462 2.716 20 0 DFADRP CCCC[N@H+](C)CC1CC[NH+](CCCc2cncn2C)CC1 ZINC000577002561 318165164 /nfs/dbraw/zinc/16/51/64/318165164.db2.gz HHCGZSXDINBIIK-UHFFFAOYSA-N 2 0 306.498 2.797 20 0 DFADRP Cc1cccc(OC[C@H](O)C[NH2+][C@@H](CC[NH+](C)C)C(C)(C)C)c1 ZINC000577055181 318167920 /nfs/dbraw/zinc/16/79/20/318167920.db2.gz LMGUBXRIMZXAEN-AEFFLSMTSA-N 2 0 322.493 2.691 20 0 DFADRP C[N@H+](CCNC(=O)Nc1ccc2c(c1)C[NH2+]C2)Cc1ccccc1 ZINC000577472278 318195061 /nfs/dbraw/zinc/19/50/61/318195061.db2.gz FZHRQPBUUVZPRW-UHFFFAOYSA-N 2 0 324.428 2.543 20 0 DFADRP C[C@@H]([NH3+])C[C@@H](C)NC(=O)NCC1([NH+]2CCCCC2)CCCCC1 ZINC000577509802 318198438 /nfs/dbraw/zinc/19/84/38/318198438.db2.gz BWJMYWPLQSPNQZ-HZPDHXFCSA-N 2 0 324.513 2.600 20 0 DFADRP CCO[C@@H]1C[C@H]1[NH2+][C@@H]1CC2(CC[NH+](C)CC2)Oc2ccccc21 ZINC000577574469 318201641 /nfs/dbraw/zinc/20/16/41/318201641.db2.gz DRRLCPYPQGHESN-JFIYKMOQSA-N 2 0 316.445 2.742 20 0 DFADRP CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)NCC1([NH3+])CCCCCC1 ZINC000577605678 318204638 /nfs/dbraw/zinc/20/46/38/318204638.db2.gz OQUOYBCDBFANEP-INIZCTEOSA-N 2 0 324.513 2.554 20 0 DFADRP [NH3+][C@@H]1CCC[C@H]([NH2+]Cc2cccc(NC(=O)c3ccccn3)c2)C1 ZINC000577626660 318206550 /nfs/dbraw/zinc/20/65/50/318206550.db2.gz NSYAQXLCVVHIBW-CVEARBPZSA-N 2 0 324.428 2.693 20 0 DFADRP Cc1c(Cl)cccc1NC(=O)CC[NH2+][C@H]1CCC[NH2+]CC1 ZINC000577720389 318212358 /nfs/dbraw/zinc/21/23/58/318212358.db2.gz WVCYQAFLQLEVQO-ZDUSSCGKSA-N 2 0 309.841 2.709 20 0 DFADRP COc1ccc(C[NH2+]CCCC[NH+]2C[C@@H](C)O[C@H](C)C2)c(F)c1 ZINC000577856171 318221986 /nfs/dbraw/zinc/22/19/86/318221986.db2.gz PMUYRTOEIDNUFD-HUUCEWRRSA-N 2 0 324.440 2.813 20 0 DFADRP C[C@@H]1C[C@@H]([NH2+][C@H]2CC3(CC[NH+](C)CC3)Oc3ccccc32)CO1 ZINC000577952261 318228034 /nfs/dbraw/zinc/22/80/34/318228034.db2.gz ARLHVITXOHGEMY-INMHGKMJSA-N 2 0 316.445 2.742 20 0 DFADRP c1cc2c(cc1CN1CCC[C@H]1C[NH+]1CCCCC1)C[NH2+]CC2 ZINC000577958130 318228730 /nfs/dbraw/zinc/22/87/30/318228730.db2.gz VGWZHWXPIAAUGE-FQEVSTJZSA-N 2 0 313.489 2.783 20 0 DFADRP c1cc2c(cc1CN1CCC[C@@H]1C[NH+]1CCCCC1)C[NH2+]CC2 ZINC000577958131 318229007 /nfs/dbraw/zinc/22/90/07/318229007.db2.gz VGWZHWXPIAAUGE-HXUWFJFHSA-N 2 0 313.489 2.783 20 0 DFADRP Cn1cc([C@@H]2C[N@H+](CC[C@H]3CCCC[NH+]3C)CC2(C)C)cn1 ZINC000578079729 318236290 /nfs/dbraw/zinc/23/62/90/318236290.db2.gz BKJIHPKPSAVMDF-SJORKVTESA-N 2 0 304.482 2.720 20 0 DFADRP Cn1ccc([C@H]([NH2+]C[C@@H]2CCC[C@H]([NH3+])C2)c2ccc(F)cc2)n1 ZINC000578231462 318247033 /nfs/dbraw/zinc/24/70/33/318247033.db2.gz ZJCXRPQWAZEUJC-RPVQJOFSSA-N 2 0 316.424 2.756 20 0 DFADRP CC(C)c1nc([C@H]2CCC[N@H+](CCCc3cncn3C)C2)no1 ZINC000578244963 318248082 /nfs/dbraw/zinc/24/80/82/318248082.db2.gz XAOKWBQFSBSZED-AWEZNQCLSA-N 2 0 317.437 2.739 20 0 DFADRP c1cc([C@H]2OCCC[C@@H]2[NH2+]C2CC[NH+](CC3CC3)CC2)ccn1 ZINC000578282097 318249736 /nfs/dbraw/zinc/24/97/36/318249736.db2.gz UVJVLDLDCLQHGC-RBUKOAKNSA-N 2 0 315.461 2.766 20 0 DFADRP C[C@H]([NH2+][C@@H](c1ccc2c(c1)OCCO2)C1CC1)[C@H]1CCC[NH2+]C1 ZINC000578638327 318274828 /nfs/dbraw/zinc/27/48/28/318274828.db2.gz VOSPCZCRCCISKN-IYJAJMOOSA-N 2 0 316.445 2.887 20 0 DFADRP FC(F)(F)COCCC[NH2+][C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1 ZINC000578637775 318274837 /nfs/dbraw/zinc/27/48/37/318274837.db2.gz FUFSPNLRHCXKSJ-BFHYXJOUSA-N 2 0 308.388 2.856 20 0 DFADRP COC(=O)c1sc2ccccc2c1CN1CC[C@@H]([NH3+])C[C@@H]1C ZINC000578879172 318292441 /nfs/dbraw/zinc/29/24/41/318292441.db2.gz OLVUAMZSNABWKF-NWDGAFQWSA-N 2 0 318.442 3.000 20 0 DFADRP CC(C)(C[NH2+]C1CCC(O)(C(F)(F)F)CC1)C[NH+]1CCCC1 ZINC000579185182 318311717 /nfs/dbraw/zinc/31/17/17/318311717.db2.gz QQLKIKMAEVTFEO-UHFFFAOYSA-N 2 0 322.415 2.934 20 0 DFADRP Cn1cncc1CCC[N@@H+]1CCc2c(cnn2-c2ccccc2)C1 ZINC000579254245 318318400 /nfs/dbraw/zinc/31/84/00/318318400.db2.gz CEGCTEIHLAWHJL-UHFFFAOYSA-N 2 0 321.428 2.597 20 0 DFADRP CC(C)Oc1ccc([C@H](C[NH2+][C@@H]2CCC[C@@H]([NH3+])C2)N(C)C)cc1 ZINC000579258215 318318734 /nfs/dbraw/zinc/31/87/34/318318734.db2.gz GCLFOHVBAGTAAD-LMMKCTJWSA-N 2 0 319.493 2.936 20 0 DFADRP C[C@H]([NH2+]CCOc1ccc(F)c(Cl)c1)[C@H]1CCC[NH2+]C1 ZINC000579342064 318323463 /nfs/dbraw/zinc/32/34/63/318323463.db2.gz TTZRJIGCLQFYMH-RYUDHWBXSA-N 2 0 300.805 2.836 20 0 DFADRP [NH3+][C@@H]1CCC[C@H]([NH2+]Cc2ccc(NC(=O)c3ccco3)cc2)C1 ZINC000579495327 318335474 /nfs/dbraw/zinc/33/54/74/318335474.db2.gz WUVDITORCCXUQB-ZBFHGGJFSA-N 2 0 313.401 2.891 20 0 DFADRP C[C@@H]1CN(CCC(=O)Nc2ccccc2-c2ccccc2)C[C@@H]1[NH3+] ZINC000579574128 318339783 /nfs/dbraw/zinc/33/97/83/318339783.db2.gz BKKOAJQUUAMBQU-QAPCUYQASA-N 2 0 323.440 2.961 20 0 DFADRP [NH3+]CC1(CC(=O)Nc2nc(CN3CCCCCC3)cs2)CC1 ZINC000579588429 318340831 /nfs/dbraw/zinc/34/08/31/318340831.db2.gz ONHCGHUBAUHANP-UHFFFAOYSA-N 2 0 322.478 2.587 20 0 DFADRP CC1CC[NH+](Cc2cccc(CNC(=O)CCCC[NH3+])c2)CC1 ZINC000579831026 318357075 /nfs/dbraw/zinc/35/70/75/318357075.db2.gz GARZZUVKXSJKMB-UHFFFAOYSA-N 2 0 317.477 2.664 20 0 DFADRP C[C@H]([NH2+]Cc1ccc(OC2CCCCC2)nc1)[C@H]1CC[NH2+]C1 ZINC000580062287 318372335 /nfs/dbraw/zinc/37/23/35/318372335.db2.gz APISKJKSADAGBP-HOCLYGCPSA-N 2 0 303.450 2.881 20 0 DFADRP CC[NH+]1CCN([C@@H](C)C[NH2+][C@@H]2CCCNc3ccccc32)CC1 ZINC000192670390 323245803 /nfs/dbraw/zinc/24/58/03/323245803.db2.gz KYHLFIXXCDAVOT-QFBILLFUSA-N 2 0 316.493 2.549 20 0 DFADRP COCC[N@H+](C)CCC[NH2+][C@@H]1CCCc2c(OC)cccc21 ZINC000194848627 323273684 /nfs/dbraw/zinc/27/36/84/323273684.db2.gz OAYJHXQDUXANMO-QGZVFWFLSA-N 2 0 306.450 2.631 20 0 DFADRP C[C@@H]1C[NH2+]CC[C@@H]1N[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000379645729 323290352 /nfs/dbraw/zinc/29/03/52/323290352.db2.gz DMEIMIRLNQZELW-RWQQGDIJSA-N 2 0 301.478 2.627 20 0 DFADRP C[C@@H]1C[C@@H](C[N@@H+]2CCCN(Cc3ccccc3)C[C@H]2C)CC[NH2+]1 ZINC000382728062 323301556 /nfs/dbraw/zinc/30/15/56/323301556.db2.gz WQYOTDMUHUXGLI-GGPKGHCWSA-N 2 0 315.505 2.971 20 0 DFADRP C[C@@H]1CC[N@H+](CC[C@H]2CCC[NH2+]C2)CCN1Cc1ccccc1 ZINC000382709413 323301808 /nfs/dbraw/zinc/30/18/08/323301808.db2.gz SMGPKNBUMHIMIJ-RTBURBONSA-N 2 0 315.505 2.973 20 0 DFADRP C[C@H]1CN(Cc2ccccc2)CC[N@@H+]1CC[C@H]1CCC[NH2+]C1 ZINC000382767253 323302553 /nfs/dbraw/zinc/30/25/53/323302553.db2.gz WUAKCCQSVFFONR-ZWKOTPCHSA-N 2 0 301.478 2.582 20 0 DFADRP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]CCc1ccc(Br)s1 ZINC000382840933 323302710 /nfs/dbraw/zinc/30/27/10/323302710.db2.gz UNCCBWVUBLPJNY-ZYHUDNBSSA-N 2 0 317.296 2.983 20 0 DFADRP CC[NH+](CC)Cc1ccc(CNC(=O)[C@@H]2CCC[NH2+][C@H]2C)cc1 ZINC000384261277 323306370 /nfs/dbraw/zinc/30/63/70/323306370.db2.gz OMCUXBYGXOYRCK-MAUKXSAKSA-N 2 0 317.477 2.533 20 0 DFADRP Brc1ccccc1C[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000386215605 323315894 /nfs/dbraw/zinc/31/58/94/323315894.db2.gz NODLFZOKSXJMBE-BETUJISGSA-N 2 0 309.251 2.881 20 0 DFADRP OC[C@H]([NH2+]C1CCN(c2cc[nH+]cc2)CC1)C1CCCCC1 ZINC000386150906 323316279 /nfs/dbraw/zinc/31/62/79/323316279.db2.gz TVXVRPZQUQEIJJ-SFHVURJKSA-N 2 0 303.450 2.581 20 0 DFADRP C[NH2+][C@@H](CC(C)(C)C)C(=O)Nc1ccc(OCC[NH+](C)C)cc1 ZINC000387502373 323325357 /nfs/dbraw/zinc/32/53/57/323325357.db2.gz CTYMPVIZMCONTE-INIZCTEOSA-N 2 0 321.465 2.590 20 0 DFADRP C[C@@H]1C[C@@H](C[N@H+](C)[C@H]2CCCN(Cc3ccccc3)C2)CC[NH2+]1 ZINC000388333184 323329824 /nfs/dbraw/zinc/32/98/24/323329824.db2.gz KTJZJFMMHZFNNB-HOJAQTOUSA-N 2 0 315.505 2.971 20 0 DFADRP C[C@@H]1C[C@H](C[N@H+](C)[C@@H]2CCCN(Cc3ccccc3)C2)CC[NH2+]1 ZINC000388333185 323330037 /nfs/dbraw/zinc/33/00/37/323330037.db2.gz KTJZJFMMHZFNNB-MISYRCLQSA-N 2 0 315.505 2.971 20 0 DFADRP [NH3+]C[C@H](C(=O)Nc1ccc(C[NH+]2CCCC2)cc1)c1ccccc1 ZINC000392138554 323348306 /nfs/dbraw/zinc/34/83/06/323348306.db2.gz CBAYGBPQLVKTPJ-IBGZPJMESA-N 2 0 323.440 2.963 20 0 DFADRP CC(C)[C@H](CO)C[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000394078199 323349382 /nfs/dbraw/zinc/34/93/82/323349382.db2.gz WSSMPTFSKGEWAM-SFHVURJKSA-N 2 0 304.478 2.548 20 0 DFADRP [NH3+][C@@H]1CCCCCC[C@H]1C(=O)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000580442518 323386157 /nfs/dbraw/zinc/38/61/57/323386157.db2.gz DHPDZAABGHEMIC-RCCFBDPRSA-N 2 0 321.509 2.761 20 0 DFADRP Cc1noc(C[C@H]([NH2+][C@@H]2CCC[C@@H]([NH3+])C2)c2ccccc2)n1 ZINC000580450287 323388116 /nfs/dbraw/zinc/38/81/16/323388116.db2.gz HGLXMHJLOTUCQK-OAGGEKHMSA-N 2 0 300.406 2.521 20 0 DFADRP [NH3+][C@@H]1CCC[C@H]([NH2+][C@@H]2c3ccccc3CC23CCOCC3)C1 ZINC000581618233 323551212 /nfs/dbraw/zinc/55/12/12/323551212.db2.gz VFDCECDFBCLRLA-SOLBZPMBSA-N 2 0 300.446 2.940 20 0 DFADRP C[NH+](C)C1(CNC(=O)c2ccccc2CC[NH3+])CCCCCC1 ZINC000581673937 323557983 /nfs/dbraw/zinc/55/79/83/323557983.db2.gz WCOWPZHGURKALA-UHFFFAOYSA-N 2 0 317.477 2.572 20 0 DFADRP CC[C@@H]([NH3+])C(=O)N(CC[NH+]1CCCC1)Cc1ccc(Cl)cc1 ZINC000581944466 323593462 /nfs/dbraw/zinc/59/34/62/323593462.db2.gz VORBAYFMNADICS-MRXNPFEDSA-N 2 0 323.868 2.502 20 0 DFADRP C[NH+](C)Cc1ccc(NC(=O)[C@@H]2CCCCCC[C@H]2[NH3+])cc1 ZINC000583992027 323946178 /nfs/dbraw/zinc/94/61/78/323946178.db2.gz KSARFHZCLFOZNI-IAGOWNOFSA-N 2 0 303.450 2.984 20 0 DFADRP C[C@@H]1COCC[N@@H+]1C1CCN(CCc2cccc(F)c2F)CC1 ZINC000584358965 337102331 /nfs/dbraw/zinc/10/23/31/337102331.db2.gz MQTRGQCHJDMTEA-CQSZACIVSA-N 2 0 324.415 2.692 20 0 DFADRP CCOc1cc(C[N@H+](C)CCC[NH3+])ccc1OCC(F)(F)F ZINC000584469340 337344899 /nfs/dbraw/zinc/34/48/99/337344899.db2.gz AANNRWWDGRVUBN-UHFFFAOYSA-N 2 0 320.355 2.807 20 0 DFADRP CC(C)CNC(=O)c1cccc(C[NH+]2CCC(CC[NH3+])CC2)c1 ZINC000584639096 337379717 /nfs/dbraw/zinc/37/97/17/337379717.db2.gz VEIREJKISVNJRH-UHFFFAOYSA-N 2 0 317.477 2.633 20 0 DFADRP CCC(=O)Nc1cccc(C[NH2+][C@@H]2CC[N@H+](C)[C@H]3CCC[C@H]32)c1 ZINC000584670676 337381349 /nfs/dbraw/zinc/38/13/49/337381349.db2.gz LIYMHYHFTBBYOX-KSZLIROESA-N 2 0 315.461 2.998 20 0 DFADRP COc1ccc(F)c(C[NH2+]CCCC[NH+]2C[C@H](C)O[C@@H](C)C2)c1 ZINC000293728266 533904797 /nfs/dbraw/zinc/90/47/97/533904797.db2.gz ZBGIVVNJDFQNSJ-GJZGRUSLSA-N 2 0 324.440 2.813 20 0 DFADRP C[C@H]([NH2+][C@H]1CCOC1(C)C)c1ccc(OCC[NH+](C)C)cc1 ZINC000296654702 534007337 /nfs/dbraw/zinc/00/73/37/534007337.db2.gz ZEFFHVNVGFXLLJ-YOEHRIQHSA-N 2 0 306.450 2.845 20 0 DFADRP CC(C)Oc1ccc(C[NH2+][C@@H]2CC[N@H+](C)[C@H]3CCC[C@H]32)cn1 ZINC000367603350 519779874 /nfs/dbraw/zinc/77/98/74/519779874.db2.gz ZEYXIWGAJYRQAC-BBWFWOEESA-N 2 0 303.450 2.831 20 0 DFADRP c1cc2c(cc1C[NH2+]CCCCC[NH+]1CCCC1)OCCO2 ZINC000292936612 534474613 /nfs/dbraw/zinc/47/46/13/534474613.db2.gz HNGXOHNWSJZYIU-UHFFFAOYSA-N 2 0 304.434 2.814 20 0 DFADRP CCCC[NH+]1CCC([NH2+]C2CCN(c3nccs3)CC2)CC1 ZINC000371582582 520576973 /nfs/dbraw/zinc/57/69/73/520576973.db2.gz VVIKHWBYEJYXPP-UHFFFAOYSA-N 2 0 322.522 2.966 20 0 DFADRP CC[NH+](CC)CCCN1CCC2(C[C@@H]2C[N@H+](C)C2CC2)CC1 ZINC000365193805 520604836 /nfs/dbraw/zinc/60/48/36/520604836.db2.gz WHPMFLCPOFKKBI-QGZVFWFLSA-N 2 0 307.526 2.915 20 0 DFADRP CCC[C@H]([NH3+])C(=O)NC[C@H]1CC[N@H+](C)[C@H]1c1cccc(Cl)c1 ZINC000366330347 521115955 /nfs/dbraw/zinc/11/59/55/521115955.db2.gz QTKUIVYYRNREFN-KBMXLJTQSA-N 2 0 323.868 2.576 20 0 DFADRP CCN1CC[NH+](CCCC[NH2+][C@@H](C)c2cnn(C(C)C)c2)CC1 ZINC000154534635 521679456 /nfs/dbraw/zinc/67/94/56/521679456.db2.gz XPYLZVRPXJXHAC-KRWDZBQOSA-N 2 0 321.513 2.532 20 0 DFADRP C[NH+](C)CC[C@@H](NC(=O)c1cccc(C[NH+](C)C)c1)C(C)(C)C ZINC000156560633 521811818 /nfs/dbraw/zinc/81/18/18/521811818.db2.gz JLLWCCSCTGQAGL-QGZVFWFLSA-N 2 0 319.493 2.844 20 0 DFADRP COC1(C[N@@H+]2CCC[C@@H](C[NH+]3CCCC[C@@H]3C)C2)CCOCC1 ZINC000368440037 522606016 /nfs/dbraw/zinc/60/60/16/522606016.db2.gz ZVMJIFBETSILFI-ZWKOTPCHSA-N 2 0 324.509 2.768 20 0 DFADRP C[N@@H+]1CC[C@H]([NH2+]CCCn2cnc3ccccc32)[C@@H]2CCC[C@@H]21 ZINC000367614789 523986900 /nfs/dbraw/zinc/98/69/00/523986900.db2.gz IULYMKJUEXNOCS-BQFCYCMXSA-N 2 0 312.461 2.889 20 0 DFADRP C[C@H](C[NH2+][C@@H]1CC[N@H+](C[C@@H]2CCCO2)C[C@H]1C)c1nccs1 ZINC000365046488 524498122 /nfs/dbraw/zinc/49/81/22/524498122.db2.gz VJZSJZJRJPNNOQ-LVQVYYBASA-N 2 0 323.506 2.726 20 0 DFADRP C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@H]1[NH2+]CCc1ccccc1F ZINC000363834627 524971372 /nfs/dbraw/zinc/97/13/72/524971372.db2.gz RXDRASJDEXNUNV-HHXXYDBFSA-N 2 0 320.452 2.847 20 0 DFADRP Cc1cc(N2CCC[N@@H+]([C@@H](C)CO)CC2)c2cc(F)ccc2[nH+]1 ZINC000364978399 525067179 /nfs/dbraw/zinc/06/71/79/525067179.db2.gz HFAHICYAMXXJCS-AWEZNQCLSA-N 2 0 317.408 2.575 20 0 DFADRP C[C@@H](c1cnccn1)[N@H+](C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000364176014 526155832 /nfs/dbraw/zinc/15/58/32/526155832.db2.gz ZBJUNTFCRMPTRS-HNNXBMFYSA-N 2 0 311.433 2.781 20 0 DFADRP c1ccc(C[NH+]2CC[C@H](CN[C@@H]3CC[N@@H+]4CCC[C@H]4C3)C2)cc1 ZINC000249158109 526470773 /nfs/dbraw/zinc/47/07/73/526470773.db2.gz XSQFSWRZQWDWOY-AQNXPRMDSA-N 2 0 313.489 2.725 20 0 DFADRP c1ccc2c(c1)CCCN2CC[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000090550246 526502449 /nfs/dbraw/zinc/50/24/49/526502449.db2.gz QVTYHNMFFRNLJW-GOSISDBHSA-N 2 0 313.489 2.857 20 0 DFADRP [NH3+]CCCCCCC(=O)NC1CC[NH+](Cc2cccs2)CC1 ZINC000366343654 527172481 /nfs/dbraw/zinc/17/24/81/527172481.db2.gz BQSXRJDWWMOSAV-UHFFFAOYSA-N 2 0 323.506 2.738 20 0 DFADRP CC(C)(CO)CC[NH2+][C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000294802341 527204685 /nfs/dbraw/zinc/20/46/85/527204685.db2.gz MZMUMQVYZBCQBQ-IPMKNSEASA-N 2 0 316.489 2.895 20 0 DFADRP CC[NH+](CC)CCOc1ccc(NC(=O)C[N@H+](C)C(C)C)cc1 ZINC000299519256 528151383 /nfs/dbraw/zinc/15/13/83/528151383.db2.gz XUXUGEKZLLZJCZ-UHFFFAOYSA-N 2 0 321.465 2.686 20 0 DFADRP CCN(CC)c1ncc(C[NH2+]Cc2ccc3c[nH+]cn3c2)s1 ZINC000297486333 528317156 /nfs/dbraw/zinc/31/71/56/528317156.db2.gz KBKDWEXTMZICBF-UHFFFAOYSA-N 2 0 315.446 2.927 20 0 DFADRP CC[NH2+]Cc1cccc(NC(=O)c2ccc3c(c2)CC[NH2+]CC3)c1 ZINC000296316576 528347890 /nfs/dbraw/zinc/34/78/90/528347890.db2.gz GYOYBZXRWMNYOF-UHFFFAOYSA-N 2 0 323.440 2.737 20 0 DFADRP CC(C)[C@@H](C[NH2+]Cc1cccc(C2CC2)c1)N1CC[NH+](C)CC1 ZINC000322288092 528463359 /nfs/dbraw/zinc/46/33/59/528463359.db2.gz SUUURQMZKDIXDJ-HXUWFJFHSA-N 2 0 315.505 2.926 20 0 DFADRP CCC[NH2+][C@@H](C)C(=O)Nc1cccc(CC[NH+]2CCCC2)c1 ZINC000294930362 528546225 /nfs/dbraw/zinc/54/62/25/528546225.db2.gz BDRDDKHJUJLMOT-HNNXBMFYSA-N 2 0 303.450 2.652 20 0 DFADRP CC(=O)c1ccccc1OCC[NH+]1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000261850389 534926413 /nfs/dbraw/zinc/92/64/13/534926413.db2.gz ZTXNLCGXNILGQX-SFHVURJKSA-N 2 0 316.445 2.732 20 0 DFADRP CC(C)N(C)c1ccc(C[NH+]2CCC([C@@H]3CCC[NH2+]3)CC2)cn1 ZINC000262042999 535025141 /nfs/dbraw/zinc/02/51/41/535025141.db2.gz YMVSUTVHVMDZKE-SFHVURJKSA-N 2 0 316.493 2.890 20 0 DFADRP CCCC[C@H]([NH3+])C(=O)NC[C@H](c1ccc(C)cc1)[NH+]1CCCC1 ZINC000236805147 535045400 /nfs/dbraw/zinc/04/54/00/535045400.db2.gz DQLGMQDFAZSRRB-ZWKOTPCHSA-N 2 0 317.477 2.766 20 0 DFADRP CC(C)[NH+]1CCC(N(C)C(=O)CC2(C[NH3+])CCCCC2)CC1 ZINC000262054562 535151425 /nfs/dbraw/zinc/15/14/25/535151425.db2.gz DGXAPWSLLTVZSW-UHFFFAOYSA-N 2 0 309.498 2.617 20 0 DFADRP CC(C)([NH3+])CN1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000261976619 535197186 /nfs/dbraw/zinc/19/71/86/535197186.db2.gz QWYYNOJZSGBRCN-UHFFFAOYSA-N 2 0 301.478 2.712 20 0 DFADRP CC(C)C[C@H](CNC(=O)[C@H](C(C)C)[NH+]1CCCCC1)[NH+](C)C ZINC000358047353 535312198 /nfs/dbraw/zinc/31/21/98/535312198.db2.gz QQTKSTQOODLIJP-SJORKVTESA-N 2 0 311.514 2.589 20 0 DFADRP CC[NH2+]CC1CC[NH+](Cc2c[nH]nc2-c2ccsc2)CC1 ZINC000261988534 535460091 /nfs/dbraw/zinc/46/00/91/535460091.db2.gz SBNLFOREUIYDJG-UHFFFAOYSA-N 2 0 304.463 2.960 20 0 DFADRP CCC[C@@](C)([NH3+])C(=O)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000262698418 535524119 /nfs/dbraw/zinc/52/41/19/535524119.db2.gz FWHGPAMVHZLZLM-SJLPKXTDSA-N 2 0 309.498 2.619 20 0 DFADRP CC[NH+](CC)C[C@H]1CCCC[C@@H]1NC(=O)CCC1CC[NH2+]CC1 ZINC000262911654 535591689 /nfs/dbraw/zinc/59/16/89/535591689.db2.gz FTKIFLIKIISKPP-MSOLQXFVSA-N 2 0 323.525 2.783 20 0 DFADRP CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C[C@@]1(C)CC[NH2+]C1 ZINC000261736422 535772104 /nfs/dbraw/zinc/77/21/04/535772104.db2.gz HVKNYNMYGOICDP-PMACEKPBSA-N 2 0 315.505 2.830 20 0 DFADRP C[NH+](C)Cc1ccccc1CNC(=O)[C@@H]([NH3+])CC1CCCCC1 ZINC000261618894 536047695 /nfs/dbraw/zinc/04/76/95/536047695.db2.gz BXTYHVGQDMBHHN-SFHVURJKSA-N 2 0 317.477 2.662 20 0 DFADRP COc1ccc(C[C@H](C)C[NH2+][C@@H]2CC[N@H+](C)C[C@@H]2C)cc1OC ZINC000358238052 536522160 /nfs/dbraw/zinc/52/21/60/536522160.db2.gz CXCGYLUWINUHOG-YQQAZPJKSA-N 2 0 320.477 2.812 20 0 DFADRP COc1cc(C[N@@H+]2CC[C@H](C)[C@H](C[NH3+])C2)ccc1OC(F)F ZINC000262555826 536767239 /nfs/dbraw/zinc/76/72/39/536767239.db2.gz UDWDQKLENBPQBW-WCQYABFASA-N 2 0 314.376 2.713 20 0 DFADRP COc1ccc(CC[NH2+][C@@H]2C[C@@H]([NH3+])c3ccccc32)cc1OC ZINC000261959517 536840581 /nfs/dbraw/zinc/84/05/81/536840581.db2.gz XKRDLBKRHSHSIS-IAGOWNOFSA-N 2 0 312.413 2.981 20 0 DFADRP C[N@@H+]1CCCN(CCC[NH2+]C/C=C/c2ccc(F)cc2F)CC1 ZINC000680494998 545502619 /nfs/dbraw/zinc/50/26/19/545502619.db2.gz OEIUASOETHUSSJ-GORDUTHDSA-N 2 0 323.431 2.595 20 0 DFADRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+]Cc1ccccc1C1CC1 ZINC000681136148 545601761 /nfs/dbraw/zinc/60/17/61/545601761.db2.gz OQYDDRZOFZDQQP-MRXNPFEDSA-N 2 0 301.478 2.680 20 0 DFADRP CC[C@@]1(CO)CCC[N@H+](Cc2ccc(OCC[NH+](C)C)cc2)C1 ZINC000681755452 545716431 /nfs/dbraw/zinc/71/64/31/545716431.db2.gz VIBWBECWPAGFMM-LJQANCHMSA-N 2 0 320.477 2.612 20 0 DFADRP CC(C)[C@H]1OCC[C@@H]1C[NH2+]Cc1ccc(OCC[NH+](C)C)cc1 ZINC000681824792 545732453 /nfs/dbraw/zinc/73/24/53/545732453.db2.gz HJDBQLCPZGLRFV-IEBWSBKVSA-N 2 0 320.477 2.778 20 0 DFADRP CC[NH+](CC)CCO[C@@H]1CC[N@@H+]([C@H](C)c2cnc(C)nc2C)C1 ZINC000682069844 545787958 /nfs/dbraw/zinc/78/79/58/545787958.db2.gz AHIITMYDLYJWAS-NVXWUHKLSA-N 2 0 320.481 2.587 20 0 DFADRP C[C@@H]1C[N@H+](Cc2ccc(OCC[NH+](C)C)cc2)[C@H](C)[C@H](C)O1 ZINC000682168457 545812308 /nfs/dbraw/zinc/81/23/08/545812308.db2.gz ARFUTLMXXDLGIM-OAGGEKHMSA-N 2 0 306.450 2.625 20 0 DFADRP C[C@@H]1C[NH+](CCCNc2cc[nH+]c3c(O)cccc23)C[C@@H](C)O1 ZINC000682238154 545821501 /nfs/dbraw/zinc/82/15/01/545821501.db2.gz KVZGKCOBHZBDEM-ZIAGYGMSSA-N 2 0 315.417 2.852 20 0 DFADRP C[C@H](O)[C@H]1C[C@H](C)CC[N@@H+]1Cc1ccc(OCC[NH+](C)C)cc1 ZINC000682409244 545842744 /nfs/dbraw/zinc/84/27/44/545842744.db2.gz LHLOGZZIFDUEET-JTDSTZFVSA-N 2 0 320.477 2.608 20 0 DFADRP CC[NH+](CC)CCCN1CC[C@H]([N@H+](C)Cc2ccccc2)C1 ZINC000683140891 545978325 /nfs/dbraw/zinc/97/83/25/545978325.db2.gz HRJHJAKPWNMWEH-IBGZPJMESA-N 2 0 303.494 2.925 20 0 DFADRP C[C@H]([NH2+]C[C@@]1(CO)C[C@H]1c1ccc(F)cc1)C1CC[NH+](C)CC1 ZINC000683229782 545993323 /nfs/dbraw/zinc/99/33/23/545993323.db2.gz WHHBNVVOLDGXBA-ZOCIIQOWSA-N 2 0 320.452 2.612 20 0 DFADRP CCC[C@@]1(CO)CCC[N@@H+]1Cc1ccc(OCC[NH+](C)C)cc1 ZINC000683722402 546081670 /nfs/dbraw/zinc/08/16/70/546081670.db2.gz OPXMYUMUJCGALR-IBGZPJMESA-N 2 0 320.477 2.754 20 0 DFADRP CC(C)(C)[C@H](CO)[NH2+]Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000683724277 546082734 /nfs/dbraw/zinc/08/27/34/546082734.db2.gz SJOKVTIRXMTIAB-SFHVURJKSA-N 2 0 320.477 2.658 20 0 DFADRP CN(C)c1cc[nH+]c(NC(=O)C2(C[NH+](C)C)CCCCC2)c1 ZINC000683869922 546111465 /nfs/dbraw/zinc/11/14/65/546111465.db2.gz BQKUKZFUBQZXGH-UHFFFAOYSA-N 2 0 304.438 2.598 20 0 DFADRP Cc1nc(C)c(C[N@@H+]2CC[C@H](CNc3cccc(C)[nH+]3)C2)o1 ZINC000683897409 546114529 /nfs/dbraw/zinc/11/45/29/546114529.db2.gz BKUNTNCZAYSMER-OAHLLOKOSA-N 2 0 300.406 2.929 20 0 DFADRP CO[C@H]1CCC[C@H]([NH2+]CC2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000684389894 546207878 /nfs/dbraw/zinc/20/78/78/546207878.db2.gz YEVVJHDQEDRZLG-WMZOPIPTSA-N 2 0 303.450 2.845 20 0 DFADRP C[NH+]1CCN(C(C)(C)C[NH2+][C@@H](c2cccnc2)C2CCC2)CC1 ZINC000684611536 546252656 /nfs/dbraw/zinc/25/26/56/546252656.db2.gz HLBHGFSOPMIJEQ-GOSISDBHSA-N 2 0 316.493 2.538 20 0 DFADRP COc1c[nH+]ccc1N1CC[NH+]([C@H]2CCc3ccccc32)CC1 ZINC000684628637 546255388 /nfs/dbraw/zinc/25/53/88/546255388.db2.gz RUJCFYOPWJJHBC-KRWDZBQOSA-N 2 0 309.413 2.900 20 0 DFADRP C[N@@H+]1CCN(CC[NH2+]Cc2ccccc2C2CC2)CC1(C)C ZINC000685043291 546323091 /nfs/dbraw/zinc/32/30/91/546323091.db2.gz UJBUCSDJTDUEQH-UHFFFAOYSA-N 2 0 301.478 2.680 20 0 DFADRP C[NH+]1CCC([C@H]2CC[N@H+](Cc3cn4cccc(F)c4n3)C2)CC1 ZINC000685463108 546355135 /nfs/dbraw/zinc/35/51/35/546355135.db2.gz FVXYPHSQNLXRFN-HNNXBMFYSA-N 2 0 316.424 2.637 20 0 DFADRP CN(CCC[N@H+](C)Cc1nccc2ccccc21)CC[NH+](C)C ZINC000685475849 546359220 /nfs/dbraw/zinc/35/92/20/546359220.db2.gz QFVANHTYSZBJDJ-UHFFFAOYSA-N 2 0 314.477 2.550 20 0 DFADRP Cc1nc(F)ccc1C[NH2+]Cc1ccc(OCC[NH+](C)C)cc1 ZINC000278422589 214142287 /nfs/dbraw/zinc/14/22/87/214142287.db2.gz QTVLAYJEIRMKFA-UHFFFAOYSA-N 2 0 317.408 2.759 20 0 DFADRP COc1cc(OC)cc(OCCC[NH2+][C@H]2CC[N@H+](C)[C@@H](C)C2)c1 ZINC000181265105 199272967 /nfs/dbraw/zinc/27/29/67/199272967.db2.gz BHLZBYUXSIRBET-GJZGRUSLSA-N 2 0 322.449 2.545 20 0 DFADRP CC(C)[NH+]1CCC(O)(C[NH2+]Cc2cc(Cl)cs2)CC1 ZINC000278482061 214182467 /nfs/dbraw/zinc/18/24/67/214182467.db2.gz KWJIFQGWLQCRIR-UHFFFAOYSA-N 2 0 302.871 2.726 20 0 DFADRP COc1ccc([C@H](C)[NH2+]CCN2CCC([NH+](C)C)CC2)cc1C ZINC000272860527 210254162 /nfs/dbraw/zinc/25/41/62/210254162.db2.gz IXSTVYIJPWISQX-INIZCTEOSA-N 2 0 319.493 2.680 20 0 DFADRP COc1ccc([C@@H](C)[NH2+]CCC[N@@H+]2CCCO[C@H](C)C2)cc1 ZINC000278626214 214285588 /nfs/dbraw/zinc/28/55/88/214285588.db2.gz RRYVIAYAOJREAW-HZPDHXFCSA-N 2 0 306.450 2.847 20 0 DFADRP CC1(C)[C@@H]([NH2+]CC2CCN(c3cc[nH+]cc3)CC2)[C@@H]2CCO[C@@H]21 ZINC000278629300 214288516 /nfs/dbraw/zinc/28/85/16/214288516.db2.gz GUYVCRLCRPWAPO-BZSNNMDCSA-N 2 0 315.461 2.701 20 0 DFADRP c1ccc(CC[N@@H+]2CC[C@H](N[C@@H]3CC[NH+]4CCC[C@@H]4C3)C2)cc1 ZINC000322595205 231211901 /nfs/dbraw/zinc/21/19/01/231211901.db2.gz KUYHADQAUALEBW-HSALFYBXSA-N 2 0 313.489 2.520 20 0 DFADRP OC1(C[NH2+]Cc2ccccc2)CC[NH+](Cc2ccccc2)CC1 ZINC000219059932 398346700 /nfs/dbraw/zinc/34/67/00/398346700.db2.gz VAILICIPEDGDMR-UHFFFAOYSA-N 2 0 310.441 2.803 20 0 DFADRP CC[C@@H]1CCCCN1C(=O)C[N@@H+]1CCC[C@@H](n2ccnc2C)C1 ZINC000591905790 398348309 /nfs/dbraw/zinc/34/83/09/398348309.db2.gz KKJIHAPIHMBZLZ-IAGOWNOFSA-N 2 0 318.465 2.620 20 0 DFADRP CCc1c(C)[nH+]c2ccccc2c1N1CC[NH+](C[C@H](C)O)CC1 ZINC000302481904 529491686 /nfs/dbraw/zinc/49/16/86/529491686.db2.gz XTVMGWBGLYLQOG-AWEZNQCLSA-N 2 0 313.445 2.608 20 0 DFADRP [NH2+]=C(NCC1([NH+]2CCSCC2)CCCC1)Nc1ccccc1 ZINC000066243042 398363970 /nfs/dbraw/zinc/36/39/70/398363970.db2.gz JVIGSEKFMPVQCB-UHFFFAOYSA-N 2 0 318.490 2.984 20 0 DFADRP CC(C)C[N@@H+]1CC[C@H](CNC(=O)CC[C@@H]([NH3+])c2ccccc2)C1 ZINC000236789344 398364667 /nfs/dbraw/zinc/36/46/67/398364667.db2.gz CGRDVPMXHNRPRI-SJLPKXTDSA-N 2 0 317.477 2.561 20 0 DFADRP CN(C)c1ccccc1C[N@@H+]1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000081634735 398364682 /nfs/dbraw/zinc/36/46/82/398364682.db2.gz GZNBFLDMLHDFMR-QGZVFWFLSA-N 2 0 301.478 2.916 20 0 DFADRP C[C@H]1CCCC[C@@H]1[NH2+]C[C@@H](O)CN1CCc2ccccc2C1 ZINC000237541263 398371641 /nfs/dbraw/zinc/37/16/41/398371641.db2.gz VUCNCAPJBPSMBK-IPELMVKDSA-N 2 0 302.462 2.574 20 0 DFADRP Cc1nccn1CCC[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000371251842 282205724 /nfs/dbraw/zinc/20/57/24/282205724.db2.gz QMYZIFRENAXPAT-WMZOPIPTSA-N 2 0 302.466 2.530 20 0 DFADRP CC(C)C[C@H](C)[NH2+]Cc1ccc(C(=O)NCC[NH+](C)C)cc1 ZINC000090038827 185279314 /nfs/dbraw/zinc/27/93/14/185279314.db2.gz WEMOPJFRKQBOBZ-HNNXBMFYSA-N 2 0 305.466 2.502 20 0 DFADRP CC(C)[C@@H](C[NH2+]CCc1ccc(Cl)cc1)N1CC[NH+](C)CC1 ZINC000459361340 299088671 /nfs/dbraw/zinc/08/86/71/299088671.db2.gz FMKRFKCQDYFTOU-GOSISDBHSA-N 2 0 323.912 2.744 20 0 DFADRP CCO[C@@H]1C[C@H]([NH2+]CCCC[NH+]2CCC(C)CC2)[C@@H]1SC ZINC000459373978 299090613 /nfs/dbraw/zinc/09/06/13/299090613.db2.gz LGQFADOPGJCTEM-BBWFWOEESA-N 2 0 314.539 2.997 20 0 DFADRP C[C@H]1CCC[C@@H](C[NH2+]Cc2ccc(N3CC[NH+](C)CC3)nc2)C1 ZINC000092560630 185325625 /nfs/dbraw/zinc/32/56/25/185325625.db2.gz CNKMVQPITUYNOP-DLBZAZTESA-N 2 0 316.493 2.749 20 0 DFADRP C[C@H]1CCC[C@H](C[NH2+]Cc2ccnc(N3CC[NH+](C)CC3)c2)C1 ZINC000092561590 185325849 /nfs/dbraw/zinc/32/58/49/185325849.db2.gz LVZIBKUYNOFVGA-IRXDYDNUSA-N 2 0 316.493 2.749 20 0 DFADRP C[C@@H]1CCC[C@@H](C[NH2+]Cc2ccnc(N3CC[NH+](C)CC3)c2)C1 ZINC000092561594 185325958 /nfs/dbraw/zinc/32/59/58/185325958.db2.gz LVZIBKUYNOFVGA-IAGOWNOFSA-N 2 0 316.493 2.749 20 0 DFADRP Cc1ccc(C[NH+]2CCC(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)o1 ZINC000092587123 185327290 /nfs/dbraw/zinc/32/72/90/185327290.db2.gz BCYBEIILIAPHJM-IYBDPMFKSA-N 2 0 306.450 2.909 20 0 DFADRP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CC[NH+](C[C@H]2CC=CCC2)CC1 ZINC000092664660 185332531 /nfs/dbraw/zinc/33/25/31/185332531.db2.gz SOBHSGHIFPYWDN-OTWHNJEPSA-N 2 0 305.510 2.833 20 0 DFADRP C[N@@H+]1CCC[C@@H]1CCN1CCC(C)(C(=O)OC(C)(C)C)CC1 ZINC000592158549 398394679 /nfs/dbraw/zinc/39/46/79/398394679.db2.gz GKHGYWVPEWQPDQ-OAHLLOKOSA-N 2 0 310.482 2.915 20 0 DFADRP CC(C)CSCCC[N@@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000592185561 398399001 /nfs/dbraw/zinc/39/90/01/398399001.db2.gz ZBOKIFZFIJGNJU-UHFFFAOYSA-N 2 0 300.512 2.562 20 0 DFADRP CCO[C@@H]1C[C@H]([NH2+][C@@H](CC[NH+](C)C)C(C)(C)C)[C@@H]1SC ZINC000459407044 299098413 /nfs/dbraw/zinc/09/84/13/299098413.db2.gz DNSVKXZBKWNJBA-XGUBFFRZSA-N 2 0 302.528 2.851 20 0 DFADRP CC(C)[C@H]1CN([C@@H]2CC[NH+](Cc3ccccc3)C2)CC[N@@H+]1C ZINC000459410169 299099275 /nfs/dbraw/zinc/09/92/75/299099275.db2.gz BZBFFHGIFUYAMR-RTBURBONSA-N 2 0 301.478 2.533 20 0 DFADRP CCOc1cc(C[NH2+]CC2CC[NH+](C)CC2)cc(Cl)c1O ZINC000459429236 299103426 /nfs/dbraw/zinc/10/34/26/299103426.db2.gz PBURNVYKVHUKPR-UHFFFAOYSA-N 2 0 312.841 2.876 20 0 DFADRP C[N@H+](CCCNC(=O)C[C@H]1CCCC[C@@H]1[NH3+])Cc1ccccc1 ZINC000309750641 529889439 /nfs/dbraw/zinc/88/94/39/529889439.db2.gz ZFUOZGFDOBPDCR-MSOLQXFVSA-N 2 0 317.477 2.532 20 0 DFADRP CN(CC[N@H+](C)Cc1ccccc1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000294917334 529903896 /nfs/dbraw/zinc/90/38/96/529903896.db2.gz CAVHWAVQYDBVHU-DFNIBXOVSA-N 2 0 301.478 2.675 20 0 DFADRP CC[N@H+](C)[C@H](C(=O)N[C@H](C[NH3+])C1CCCCC1)c1ccccc1 ZINC000262611798 398432408 /nfs/dbraw/zinc/43/24/08/398432408.db2.gz XTOFWKCEMZTOOX-MSOLQXFVSA-N 2 0 317.477 2.703 20 0 DFADRP C[N@H+](CCN1CC[C@@H]([NH+]2CCCCC2)C1)Cc1ccccc1 ZINC000297349615 529912027 /nfs/dbraw/zinc/91/20/27/529912027.db2.gz BINVVHRZMSEOII-LJQANCHMSA-N 2 0 301.478 2.679 20 0 DFADRP COC(=O)c1ccccc1C[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000592491673 398433498 /nfs/dbraw/zinc/43/34/98/398433498.db2.gz GLJQQDWOIMKBIT-JKSUJKDBSA-N 2 0 316.445 2.685 20 0 DFADRP CCO[C@@H]1C[C@H]([NH2+]C2CC[NH+](C3CCCC3)CC2)[C@H]1SC ZINC000459434212 299105123 /nfs/dbraw/zinc/10/51/23/299105123.db2.gz HJIGLBNMBVUZQM-GVDBMIGSSA-N 2 0 312.523 2.892 20 0 DFADRP CN(CC1([NH+](C)C)CCC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000459445833 299108971 /nfs/dbraw/zinc/10/89/71/299108971.db2.gz NOISVHVSCZFSGP-GOSISDBHSA-N 2 0 301.478 2.677 20 0 DFADRP C[N@@H+]1CCC[C@@H]2C[NH+](C[C@@H](O)c3cc4ccccc4o3)CC[C@@H]21 ZINC000292807470 530058897 /nfs/dbraw/zinc/05/88/97/530058897.db2.gz MUSQRNXHZGPLRQ-IXDOHACOSA-N 2 0 314.429 2.882 20 0 DFADRP C[NH+](C)[C@@H]1CCC[N@H+](CCCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000277344923 398455067 /nfs/dbraw/zinc/45/50/67/398455067.db2.gz WGCFTUNCLLLZKZ-OAHLLOKOSA-N 2 0 321.421 2.780 20 0 DFADRP CCOC(=O)C1([C@@H](C)[NH2+]Cc2cc(C)cc(C)c2)CC[NH2+]CC1 ZINC000596648340 398471311 /nfs/dbraw/zinc/47/13/11/398471311.db2.gz PZZYUQJXVRCIJG-MRXNPFEDSA-N 2 0 318.461 2.714 20 0 DFADRP CC[N@H+](CCC1CC[NH+](CCc2cncn2C)CC1)CC1CC1 ZINC000459479201 299117086 /nfs/dbraw/zinc/11/70/86/299117086.db2.gz UZDIAMLVNXATPN-UHFFFAOYSA-N 2 0 318.509 2.797 20 0 DFADRP C[C@@H](CCN1CC[NH+](C)CC1)[NH2+]Cc1ccc(C2CC2)cc1 ZINC000459543266 299130181 /nfs/dbraw/zinc/13/01/81/299130181.db2.gz YSMMYJSVFLVQLN-INIZCTEOSA-N 2 0 301.478 2.680 20 0 DFADRP CC[NH+]1CCN([C@@H](C)C[NH2+][C@@H](C)c2ccc(OC)cc2C)CC1 ZINC000414067015 295762809 /nfs/dbraw/zinc/76/28/09/295762809.db2.gz PYLDIKHEVZRVCC-IRXDYDNUSA-N 2 0 319.493 2.680 20 0 DFADRP CC(C)[C@@H]([NH2+]C1CCN(c2cc[nH+]cc2)CC1)[C@@H](CO)C(C)C ZINC000459576970 299138935 /nfs/dbraw/zinc/13/89/35/299138935.db2.gz LMFSALNCGYPLEC-RBUKOAKNSA-N 2 0 319.493 2.929 20 0 DFADRP CC[C@H]([NH2+]CCCN1CCN(c2cc[nH+]cc2)CC1)[C@@H]1C[C@@H]1C ZINC000414065834 295763055 /nfs/dbraw/zinc/76/30/55/295763055.db2.gz GMIIHMGEIKJIEN-UHOSZYNNSA-N 2 0 316.493 2.618 20 0 DFADRP COCCOc1ccccc1C[NH2+]CC1(C)CC[NH+](C)CC1 ZINC000272642813 210045977 /nfs/dbraw/zinc/04/59/77/210045977.db2.gz ZKPKBGACNWUDQB-UHFFFAOYSA-N 2 0 306.450 2.533 20 0 DFADRP COc1ccc(C[C@@H](C)[NH2+][C@H](CC[NH+](C)C)C(C)(C)C)cn1 ZINC000414082319 295765284 /nfs/dbraw/zinc/76/52/84/295765284.db2.gz FMWDMBNMXPHPOW-GDBMZVCRSA-N 2 0 307.482 2.977 20 0 DFADRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@@H]1C[C@H](OC(C)(C)C)C1(C)C ZINC000414118227 295769146 /nfs/dbraw/zinc/76/91/46/295769146.db2.gz UTYIZKDSGZBNFY-OAGGEKHMSA-N 2 0 314.514 2.915 20 0 DFADRP COc1ccc(C[C@@H](C)[NH2+]C[C@@H]2CC[N@@H+](C(C)C)C2)cc1OC ZINC000320271776 398546393 /nfs/dbraw/zinc/54/63/93/398546393.db2.gz UFJZIWOKKGWGSI-WBVHZDCISA-N 2 0 320.477 2.955 20 0 DFADRP O=C(C[C@@H]1CCC[NH2+]C1)NCC1([NH+]2CCCCC2)CCCCC1 ZINC000320216311 398546672 /nfs/dbraw/zinc/54/66/72/398546672.db2.gz YOSLNWJLAXPSAE-KRWDZBQOSA-N 2 0 321.509 2.681 20 0 DFADRP CC[NH+](CC)[C@H](CNC(=O)C[C@H]1CCC[NH2+]C1)c1ccccc1 ZINC000320316115 398547281 /nfs/dbraw/zinc/54/72/81/398547281.db2.gz DCAUKGJMYYCUNL-SJLPKXTDSA-N 2 0 317.477 2.575 20 0 DFADRP CSC1(C[NH2+]Cc2nc3c(s2)CCC3)CC[NH+](C)CC1 ZINC000589326061 398545698 /nfs/dbraw/zinc/54/56/98/398545698.db2.gz JEWMDYFVTOGKTE-UHFFFAOYSA-N 2 0 311.520 2.549 20 0 DFADRP C[NH+](C)C1(CNC(=O)CC[C@@H]([NH3+])c2ccccc2)CCCCC1 ZINC000321666359 398553911 /nfs/dbraw/zinc/55/39/11/398553911.db2.gz SZJQPZFUDBQHOC-QGZVFWFLSA-N 2 0 317.477 2.847 20 0 DFADRP COC(=O)c1oc(C[NH2+]C2CCC(C[NH+](C)C)CC2)cc1C ZINC000597063077 398558598 /nfs/dbraw/zinc/55/85/98/398558598.db2.gz DWWUVIVVLMLKJG-UHFFFAOYSA-N 2 0 308.422 2.585 20 0 DFADRP C[C@H](c1cccc2ccccc21)[NH+]1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000323624263 398560892 /nfs/dbraw/zinc/56/08/92/398560892.db2.gz OJIPKQXUGAVYME-AEFFLSMTSA-N 2 0 309.457 2.880 20 0 DFADRP CCCN(CCC[NH+](C)C)Cc1ccc(C(=O)OC)c(F)c1 ZINC000597133639 398573457 /nfs/dbraw/zinc/57/34/57/398573457.db2.gz VONGEXFBKALIJK-UHFFFAOYSA-N 2 0 310.413 2.776 20 0 DFADRP Cc1cc(C[NH2+]CC2(O)CC[NH+](C)CC2)ccc1C(F)(F)F ZINC000414358653 295792253 /nfs/dbraw/zinc/79/22/53/295792253.db2.gz MOYVSPXMPMDCSE-UHFFFAOYSA-N 2 0 316.367 2.560 20 0 DFADRP Cc1ncc(C[N@H+]2CC[C@@H](C)[C@H](C(=O)OC(C)(C)C)C2)n1C ZINC000597156139 398577650 /nfs/dbraw/zinc/57/76/50/398577650.db2.gz WYMDOKJJHHTUHB-IUODEOHRSA-N 2 0 307.438 2.528 20 0 DFADRP CCCc1ccc(C[NH2+]C[C@@H](C)N2CC[NH+](CC)CC2)cc1 ZINC000589836266 398578974 /nfs/dbraw/zinc/57/89/74/398578974.db2.gz VHDOSLLDIXTZIT-QGZVFWFLSA-N 2 0 303.494 2.755 20 0 DFADRP COCCOc1cccc(C[NH2+]Cc2ccc3c[nH+]cn3c2)c1 ZINC000459657742 299158021 /nfs/dbraw/zinc/15/80/21/299158021.db2.gz IWIYCZIHYPXGSM-UHFFFAOYSA-N 2 0 311.385 2.649 20 0 DFADRP Cc1cc([C@@H](C)[NH2+]CC(=O)NC2CC[NH+](C(C)C)CC2)c(C)o1 ZINC000331345476 233130512 /nfs/dbraw/zinc/13/05/12/233130512.db2.gz LQBPDMGIPGBGLF-CQSZACIVSA-N 2 0 321.465 2.536 20 0 DFADRP C[C@H]1C[C@H]([NH2+]CCc2cn(C)cn2)CCN1Cc1ccccc1 ZINC000459666301 299159816 /nfs/dbraw/zinc/15/98/16/299159816.db2.gz RKFVSKXUZQCLPN-FUHWJXTLSA-N 3 0 312.461 2.605 20 0 DFADRP CS[C@H]1CC[C@@H]1[NH2+]CC1CC[NH+](Cc2ccncc2)CC1 ZINC000597193105 398586379 /nfs/dbraw/zinc/58/63/79/398586379.db2.gz VDHMPIMYUOSHSA-IRXDYDNUSA-N 2 0 305.491 2.777 20 0 DFADRP COC(=O)[C@H]1C[C@@H]([NH2+]C2CC[NH+]([C@@H]3CCCC[C@H]3C)CC2)C1 ZINC000597221619 398595537 /nfs/dbraw/zinc/59/55/37/398595537.db2.gz TURQULGKEXCDSJ-TXCZRRACSA-N 2 0 308.466 2.571 20 0 DFADRP COc1ccc(COCC[NH2+][C@H]2C[C@@H](C)[N@H+](C)C[C@H]2C)cc1 ZINC000133653804 186003380 /nfs/dbraw/zinc/00/33/80/186003380.db2.gz XQJSLOFJDCDBOI-RKVPGOIHSA-N 2 0 306.450 2.530 20 0 DFADRP COc1ccc(COCC[NH2+][C@@H]2C[C@H](C)[N@H+](C)C[C@H]2C)cc1 ZINC000133654415 186003409 /nfs/dbraw/zinc/00/34/09/186003409.db2.gz XQJSLOFJDCDBOI-RVKKMQEKSA-N 2 0 306.450 2.530 20 0 DFADRP C[C@H](C1CC1)[N@H+](C[C@@H](O)CN(C)Cc1ccccc1)C1CC1 ZINC000590125132 398598263 /nfs/dbraw/zinc/59/82/63/398598263.db2.gz IXSTYAKSLXRIER-BEFAXECRSA-N 2 0 302.462 2.742 20 0 DFADRP CC[C@@H](C(=O)Nc1ccc(OCC[NH+](CC)CC)cc1)[NH+](C)C ZINC000152473729 186076940 /nfs/dbraw/zinc/07/69/40/186076940.db2.gz LNIOMOYYRYMJAF-KRWDZBQOSA-N 2 0 321.465 2.686 20 0 DFADRP C[C@H]1C[C@@H]([NH2+]CC(C)(C)N2CCc3ccccc3C2)CC[N@@H+]1C ZINC000155664082 186100312 /nfs/dbraw/zinc/10/03/12/186100312.db2.gz CCBQFJKZWRUCTL-LPHOPBHVSA-N 2 0 315.505 2.896 20 0 DFADRP C[C@@H]([NH2+]C[C@H](O)C(C)(C)C)c1ccc(OCC[NH+](C)C)cc1 ZINC000164014645 186145892 /nfs/dbraw/zinc/14/58/92/186145892.db2.gz MHHKSZMBKKHZDT-PBHICJAKSA-N 2 0 308.466 2.685 20 0 DFADRP C[C@@H]([NH2+]C[C@@H](O)C(C)(C)C)c1cccc(OCC[NH+](C)C)c1 ZINC000164042404 186147022 /nfs/dbraw/zinc/14/70/22/186147022.db2.gz ZQOLATLOUVHHJE-RHSMWYFYSA-N 2 0 308.466 2.685 20 0 DFADRP CC(C)[NH+]1CCC(N(C)C(=O)c2cccc(C[NH+](C)C)c2)CC1 ZINC000072849549 398642242 /nfs/dbraw/zinc/64/22/42/398642242.db2.gz SHXITFUTOZYRKQ-UHFFFAOYSA-N 2 0 317.477 2.693 20 0 DFADRP COC(=O)[C@@H]1CCC[C@@H]1[NH2+]C1CC[NH+]([C@H]2CCCC[C@@H]2C)CC1 ZINC000590657620 398646371 /nfs/dbraw/zinc/64/63/71/398646371.db2.gz MAOGEZGJDMFPOK-RANZSIQMSA-N 2 0 322.493 2.961 20 0 DFADRP CC[C@H](C(=O)NC[C@H](c1ccsc1)[NH+](C)C)[NH+](CC)CC ZINC000266864169 186363404 /nfs/dbraw/zinc/36/34/04/186363404.db2.gz VNDUWMGOOIGPDS-HUUCEWRRSA-N 2 0 311.495 2.587 20 0 DFADRP C[C@H](CC(=O)Nc1ccc(F)cc1)[NH2+]CC[C@@H]1CCC[N@H+](C)C1 ZINC000459726052 299173819 /nfs/dbraw/zinc/17/38/19/299173819.db2.gz GBLFDDMFNAQAEL-CABCVRRESA-N 2 0 321.440 2.864 20 0 DFADRP C[C@H](CCc1ccc2c(c1)OCO2)[NH2+][C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000414825147 295822497 /nfs/dbraw/zinc/82/24/97/295822497.db2.gz SBCOLSFKDOFBSG-IIAWOOMASA-N 2 0 304.434 2.714 20 0 DFADRP CN(c1ccccc1)c1ccc(C[NH2+]CC[C@H]2CC[NH2+]C2)cn1 ZINC000414830906 295823630 /nfs/dbraw/zinc/82/36/30/295823630.db2.gz MLUPGUOJGZUHEX-MRXNPFEDSA-N 2 0 310.445 2.939 20 0 DFADRP COc1cc(C[NH2+]CC[C@@H]2CCC[NH2+]C2)ccc1OC(F)F ZINC000414826998 295822855 /nfs/dbraw/zinc/82/28/55/295822855.db2.gz ANUZVNZFAVHXTK-LBPRGKRZSA-N 2 0 314.376 2.776 20 0 DFADRP Cc1ccc(NC(=O)C[C@@H](C)[NH2+]CC[C@@H]2CC[NH2+]C2)cc1Cl ZINC000414833248 295823889 /nfs/dbraw/zinc/82/38/89/295823889.db2.gz POGMMKWTOKJAJK-KGLIPLIRSA-N 2 0 323.868 2.955 20 0 DFADRP C[C@@H]([NH2+]Cc1cnc(-c2ccccn2)s1)[C@H]1CCC[NH2+]C1 ZINC000414843953 295825243 /nfs/dbraw/zinc/82/52/43/295825243.db2.gz CEYBNFLRXBVSKE-OLZOCXBDSA-N 2 0 302.447 2.683 20 0 DFADRP Fc1ccc(Cn2cc(C[NH2+]CC[C@H]3CCC[NH2+]C3)cn2)cc1 ZINC000414846676 295825383 /nfs/dbraw/zinc/82/53/83/295825383.db2.gz UUURWWDQJHSNMH-OAHLLOKOSA-N 2 0 316.424 2.550 20 0 DFADRP c1cc(OC[C@H]2CCCO2)ccc1C[NH2+]CC[C@@H]1CCC[NH2+]C1 ZINC000414848797 295825717 /nfs/dbraw/zinc/82/57/17/295825717.db2.gz LDEAKGQWABGBJR-QFBILLFUSA-N 2 0 318.461 2.724 20 0 DFADRP C[NH2+]C[C@@H](C)C[NH2+][C@H](C)CC(=O)Nc1ccccc1C(C)C ZINC000414849736 295825831 /nfs/dbraw/zinc/82/58/31/295825831.db2.gz YLCDAJNYGLYTCU-HUUCEWRRSA-N 2 0 305.466 2.972 20 0 DFADRP C[C@@H]([NH2+]Cc1cc(Br)cs1)[C@@H]1CCC[NH2+]C1 ZINC000414854000 295826446 /nfs/dbraw/zinc/82/64/46/295826446.db2.gz LSSDMYOLFBPLAQ-NXEZZACHSA-N 2 0 303.269 2.988 20 0 DFADRP C[N@@H+]1CCC[C@H](CC[NH2+][C@@H]2CCCN(Cc3ccccc3)C2)C1 ZINC000459743869 299179456 /nfs/dbraw/zinc/17/94/56/299179456.db2.gz XCOXUYFBPAHDBV-WOJBJXKFSA-N 2 0 315.505 2.973 20 0 DFADRP Cc1ccccc1NC(=O)C[C@H](C)[NH2+][C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000414858643 295826997 /nfs/dbraw/zinc/82/69/97/295826997.db2.gz SEXRJYKQYJTUPG-HRCADAONSA-N 2 0 303.450 2.690 20 0 DFADRP C[C@H](C[NH3+])C[NH2+]Cc1cc(Cl)ccc1OC[C@@H]1CCCO1 ZINC000414874155 295828829 /nfs/dbraw/zinc/82/88/29/295828829.db2.gz IJCNSOBBKRBPSD-DOMZBBRYSA-N 2 0 312.841 2.582 20 0 DFADRP Cc1nn(Cc2ccc(C)cc2)c(C)c1C[NH2+][C@H](C)CC[NH3+] ZINC000414874332 295828878 /nfs/dbraw/zinc/82/88/78/295828878.db2.gz AUMWFMOMXSNUDA-CQSZACIVSA-N 2 0 300.450 2.684 20 0 DFADRP CCOc1cc(C[NH2+]C[C@H]2CC[N@@H+](C(C)C)C2)ccc1OC ZINC000386013963 398663649 /nfs/dbraw/zinc/66/36/49/398663649.db2.gz QVTJHZYGUVJIEW-MRXNPFEDSA-N 2 0 306.450 2.914 20 0 DFADRP COc1ccc(CC[C@@H](C)[NH2+]C[C@@]2(C)CCC[NH2+]C2)cc1O ZINC000414899241 295831967 /nfs/dbraw/zinc/83/19/67/295831967.db2.gz CIUIDACSYLBBMW-KDOFPFPSSA-N 2 0 306.450 2.701 20 0 DFADRP COc1cccc(C[NH2+]CC2(C)CC[NH2+]CC2)c1OC(C)C ZINC000414905886 295833093 /nfs/dbraw/zinc/83/30/93/295833093.db2.gz OQNCVFPIWMYCBR-UHFFFAOYSA-N 2 0 306.450 2.962 20 0 DFADRP COC(=O)c1ccc(C[NH2+]C(C)(C)CCC[NH+](C)C)cc1F ZINC000387374959 398666659 /nfs/dbraw/zinc/66/66/59/398666659.db2.gz XJKOROCXNKHJRF-UHFFFAOYSA-N 2 0 310.413 2.822 20 0 DFADRP CCCC[N@@H+]1CCCC[C@H]1CNC(=O)C1CC[NH+](C(C)C)CC1 ZINC000073225085 398668918 /nfs/dbraw/zinc/66/89/18/398668918.db2.gz LZBHZZNBVRHJAY-SFHVURJKSA-N 2 0 323.525 2.878 20 0 DFADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+]C2C3CC4CC(C3)CC2C4)CC1 ZINC000121100826 282801905 /nfs/dbraw/zinc/80/19/05/282801905.db2.gz SPZBCGMKGYWMPZ-ZZRKNQPCSA-N 2 0 319.537 2.674 20 0 DFADRP COc1ccc(C[NH2+]C2(C)CC[NH2+]CC2)cc1OC(F)F ZINC000414949339 295839117 /nfs/dbraw/zinc/83/91/17/295839117.db2.gz ZXXBCOABJPYOSK-UHFFFAOYSA-N 2 0 300.349 2.528 20 0 DFADRP C[C@H]1C[C@@H]([NH2+]Cc2c[nH]nc2-c2c(F)cccc2F)CC[NH2+]1 ZINC000414957191 295840531 /nfs/dbraw/zinc/84/05/31/295840531.db2.gz VWCXGOPVOYXWSJ-JQWIXIFHSA-N 2 0 306.360 2.585 20 0 DFADRP CCC(C)(C)NC(=O)[C@@H](C)[NH+]1CCC(C[N@H+](C)C(C)C)CC1 ZINC000590786176 398674420 /nfs/dbraw/zinc/67/44/20/398674420.db2.gz FNWOJIBOVMPTGE-OAHLLOKOSA-N 2 0 311.514 2.732 20 0 DFADRP C[C@@H]1C[NH2+]CC[C@H]1[NH2+]Cc1ccc(OCC(F)(F)F)cc1 ZINC000414968891 295842380 /nfs/dbraw/zinc/84/23/80/295842380.db2.gz YQUURURVDXWPJA-BXUZGUMPSA-N 2 0 302.340 2.715 20 0 DFADRP C[N@@H+]1CCC[C@H](CC[NH2+]CCCc2ccc3c(c2)CCO3)C1 ZINC000459778369 299189764 /nfs/dbraw/zinc/18/97/64/299189764.db2.gz KVIQTVHLXOHFTE-QGZVFWFLSA-N 2 0 302.462 2.876 20 0 DFADRP COCC1(C[NH2+][C@@H]2CCC[C@@H](C(F)(F)F)C2)CC[NH2+]CC1 ZINC000414980652 295843656 /nfs/dbraw/zinc/84/36/56/295843656.db2.gz WGRQBAOPNOMUNQ-CHWSQXEVSA-N 2 0 308.388 2.713 20 0 DFADRP COc1ccc2nc(C[NH2+]C[C@@H]3CCC[C@@H]([NH3+])C3)sc2c1 ZINC000414996808 295845355 /nfs/dbraw/zinc/84/53/55/295845355.db2.gz GRNINDFXAHATAW-VXGBXAGGSA-N 2 0 305.447 2.912 20 0 DFADRP [NH3+][C@@H]1CCC[C@@H](C[NH2+]Cc2ccc(OC[C@H]3CCCO3)cc2)C1 ZINC000415003483 295846255 /nfs/dbraw/zinc/84/62/55/295846255.db2.gz XHHJPBRRLORJSX-ZHALLVOQSA-N 2 0 318.461 2.852 20 0 DFADRP [NH3+][C@H]1CCC[C@@H](C[NH2+]Cc2c[nH]nc2-c2ccccc2F)C1 ZINC000415004530 295846494 /nfs/dbraw/zinc/84/64/94/295846494.db2.gz YEJQGVWBMDUWLV-OCCSQVGLSA-N 2 0 302.397 2.823 20 0 DFADRP CC[NH+]1CCC(NC[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)CC1 ZINC000415007335 295846802 /nfs/dbraw/zinc/84/68/02/295846802.db2.gz REIKZYIEMBXADZ-QFBILLFUSA-N 2 0 319.468 2.593 20 0 DFADRP CC[N@H+](C)C[C@@H]1CC[NH+](CCC(=O)Nc2ccccc2C)C1 ZINC000072858033 191239965 /nfs/dbraw/zinc/23/99/65/191239965.db2.gz MOYXVDGQXGVJKH-INIZCTEOSA-N 2 0 303.450 2.597 20 0 DFADRP [NH3+][C@H]1CCC[C@H](C[NH2+]C2CCN(CCC(F)(F)F)CC2)C1 ZINC000415012477 295847464 /nfs/dbraw/zinc/84/74/64/295847464.db2.gz XIOMKQAMVNNBMP-STQMWFEESA-N 2 0 307.404 2.510 20 0 DFADRP Cn1cc(CCC[N@@H+]2CCC[C@H](C[NH+]3CCCCCC3)C2)cn1 ZINC000590819504 398681529 /nfs/dbraw/zinc/68/15/29/398681529.db2.gz RLFJEZMXXKAJBP-LJQANCHMSA-N 2 0 318.509 2.941 20 0 DFADRP C[C@@H](CCC[NH3+])[NH2+]Cc1csc(COc2ccccc2)n1 ZINC000415025934 295848411 /nfs/dbraw/zinc/84/84/11/295848411.db2.gz SBJSNYUPKDSZBC-ZDUSSCGKSA-N 2 0 305.447 2.939 20 0 DFADRP COc1ccc(Br)cc1C[NH2+][C@@H]1CC[C@@H](C[NH3+])C1 ZINC000415028712 295848676 /nfs/dbraw/zinc/84/86/76/295848676.db2.gz DDHXDTJDAZGUJG-ZWNOBZJWSA-N 2 0 313.239 2.675 20 0 DFADRP CO[C@@H]1C[C@H]([NH2+]C2CCN(c3cc[nH+]cc3)CC2)C12CCC2 ZINC000459794939 299194980 /nfs/dbraw/zinc/19/49/80/299194980.db2.gz VBTOSAVNYWQTJG-DLBZAZTESA-N 2 0 301.434 2.598 20 0 DFADRP C[C@H]([NH2+][C@H]1CCC[NH2+]CC1)c1cccc(N2CCCC2=O)c1 ZINC000415079490 295855302 /nfs/dbraw/zinc/85/53/02/295855302.db2.gz IBCOHSNFLGBEOB-HOCLYGCPSA-N 2 0 301.434 2.606 20 0 DFADRP COCc1cc(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)ccc1F ZINC000415077741 295854986 /nfs/dbraw/zinc/85/49/86/295854986.db2.gz HZOVJCSNTIILCB-BPQIPLTHSA-N 2 0 306.425 2.982 20 0 DFADRP C[C@]1(C[NH2+]Cc2ccc(OCC(F)(F)F)cc2)CC[NH2+]C1 ZINC000415077172 295855036 /nfs/dbraw/zinc/85/50/36/295855036.db2.gz DYRVBDSBIKQKLU-AWEZNQCLSA-N 2 0 302.340 2.717 20 0 DFADRP C[C@H]1C[C@@H](C[NH2+]Cc2ccc(N3CCCCCC3)nc2)CC[NH2+]1 ZINC000415083696 295855911 /nfs/dbraw/zinc/85/59/11/295855911.db2.gz NLKXAFXZPDKEQB-IRXDYDNUSA-N 2 0 316.493 2.940 20 0 DFADRP COc1ccc(C(C)(C)C[NH2+]C2CCC([NH3+])CC2)cc1OC ZINC000415079703 295855657 /nfs/dbraw/zinc/85/56/57/295855657.db2.gz KIHYNOBBNCTLHG-UHFFFAOYSA-N 2 0 306.450 2.841 20 0 DFADRP C[C@H]([NH2+][C@@H](C)[C@H]1CCC[NH2+]C1)c1cccc(N2CCCC2=O)c1 ZINC000415079879 295855664 /nfs/dbraw/zinc/85/56/64/295855664.db2.gz IQVGTCNEQSWWMN-ZOBUZTSGSA-N 2 0 315.461 2.852 20 0 DFADRP C[C@@H]1C[C@@H](C[NH2+]Cc2cccnc2OCC(F)(F)F)CC[NH2+]1 ZINC000415081653 295855691 /nfs/dbraw/zinc/85/56/91/295855691.db2.gz KRGLULDSLBFUBF-NEPJUHHUSA-N 2 0 317.355 2.500 20 0 DFADRP CC(C)CC[C@@H]([NH2+]C[C@H]1CCCN(C(=O)C[NH3+])C1)C(C)(C)C ZINC000415082831 295855784 /nfs/dbraw/zinc/85/57/84/295855784.db2.gz MLNORYHBGOZRJW-HZPDHXFCSA-N 2 0 311.514 2.624 20 0 DFADRP O[C@H](CN1CC[C@H](C[NH+]2CCCCC2)C1)c1ccc(F)cc1 ZINC000173868534 198262407 /nfs/dbraw/zinc/26/24/07/198262407.db2.gz MTMWAISLOIKULS-CRAIPNDOSA-N 2 0 306.425 2.667 20 0 DFADRP Fc1cc(Br)cc(C[NH2+][C@H]2CCC[NH2+]CC2)c1 ZINC000415087870 295856481 /nfs/dbraw/zinc/85/64/81/295856481.db2.gz VLNORBNUQXQHMF-ZDUSSCGKSA-N 2 0 301.203 2.820 20 0 DFADRP C[C@H](C[C@@H]1CCC[NH2+]1)[NH2+][C@@H](C)c1cccc(N2CCCC2=O)c1 ZINC000415089078 295856579 /nfs/dbraw/zinc/85/65/79/295856579.db2.gz XHIPTYUXAMUSOB-VYDXJSESSA-N 2 0 315.461 2.995 20 0 DFADRP Cc1cccc([C@@H](C)[NH2+]Cc2ccnc(N3CC[NH+](C)CC3)c2)c1 ZINC000173928569 198270717 /nfs/dbraw/zinc/27/07/17/198270717.db2.gz ORTCYJFRCMIHSM-QGZVFWFLSA-N 2 0 324.472 2.993 20 0 DFADRP C[C@H](CC[NH+](C)C)NC(=O)c1ccc(Nc2cc[nH+]cc2)cc1 ZINC000073643867 398692135 /nfs/dbraw/zinc/69/21/35/398692135.db2.gz IFGAXUCTBLWZOT-CQSZACIVSA-N 2 0 312.417 2.895 20 0 DFADRP [NH3+][C@@H]1CCCO[C@H]1C1CC[NH+](Cc2cccc(F)c2F)CC1 ZINC000415110108 295859154 /nfs/dbraw/zinc/85/91/54/295859154.db2.gz OXIXDQWLIDPKKS-WBVHZDCISA-N 2 0 310.388 2.683 20 0 DFADRP COc1cc(C[NH+]2CCC([C@@H]3OCCC[C@@H]3[NH3+])CC2)ccc1C ZINC000415115201 295859949 /nfs/dbraw/zinc/85/99/49/295859949.db2.gz WTPYVEKNQVEKFK-HKUYNNGSSA-N 2 0 318.461 2.722 20 0 DFADRP C[C@@H](C[NH2+]C1CCN(Cc2ccccc2)CC1)Cn1ccnc1 ZINC000174318002 198318865 /nfs/dbraw/zinc/31/88/65/198318865.db2.gz RNZDBGHKNJCJJT-KRWDZBQOSA-N 3 0 312.461 2.773 20 0 DFADRP C[C@H]1CCC[C@@H]([NH2+]Cc2ccc(C(=O)NCC[NH+](C)C)cc2)C1 ZINC000174411304 198331569 /nfs/dbraw/zinc/33/15/69/198331569.db2.gz RZLRLITVQLTMQL-MAUKXSAKSA-N 2 0 317.477 2.646 20 0 DFADRP COCCCOc1cccc(C[NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)c1 ZINC000174517496 198345668 /nfs/dbraw/zinc/34/56/68/198345668.db2.gz PDQRMTIQJIKFNS-DOTOQJQBSA-N 2 0 306.450 2.674 20 0 DFADRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@@H]1CCCOc2cc(F)ccc21 ZINC000182113468 199388646 /nfs/dbraw/zinc/38/86/46/199388646.db2.gz VGPRTELPUVEIMF-NVXWUHKLSA-N 2 0 324.440 2.986 20 0 DFADRP COCc1cccc(C[NH+]2CCC([C@H]3C[C@@H]([NH3+])CCO3)CC2)c1 ZINC000415131665 295862808 /nfs/dbraw/zinc/86/28/08/295862808.db2.gz ZXNCIQWOMMNPCY-RBUKOAKNSA-N 2 0 318.461 2.551 20 0 DFADRP C[N@@H+](CCCc1ccc(Cl)cc1)CCCN1CC[NH+](C)CC1 ZINC000174717794 198375412 /nfs/dbraw/zinc/37/54/12/198375412.db2.gz FLLLBUUBIHLKCB-UHFFFAOYSA-N 2 0 323.912 2.842 20 0 DFADRP CC(C)Oc1cccc(C[N@H+](C)CCCN2CC[NH+](C)CC2)c1 ZINC000174717492 198375431 /nfs/dbraw/zinc/37/54/31/198375431.db2.gz MXIWPNBFTIZKMH-UHFFFAOYSA-N 2 0 319.493 2.543 20 0 DFADRP C[C@@H]([NH3+])[C@H](C)C(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC000277082490 213283099 /nfs/dbraw/zinc/28/30/99/213283099.db2.gz QOFXHXSQMNSUNR-LSDHHAIUSA-N 2 0 303.450 2.637 20 0 DFADRP Cn1c2ccccc2nc1CC[N@@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000277050566 213263102 /nfs/dbraw/zinc/26/31/02/213263102.db2.gz CJKRCCCROPCUKT-OAHLLOKOSA-N 2 0 300.450 2.532 20 0 DFADRP CC(C)[C@H]([NH3+])C(=O)NCc1ccc(C[NH+]2CCC(C)CC2)cc1 ZINC000236767433 202000181 /nfs/dbraw/zinc/00/01/81/202000181.db2.gz CGNXNBTYTIDOFD-SFHVURJKSA-N 2 0 317.477 2.518 20 0 DFADRP C[NH+](C)CCN1CCC([NH2+][C@@H]2CCC[C@H](C(F)(F)F)C2)CC1 ZINC000129250015 283007435 /nfs/dbraw/zinc/00/74/35/283007435.db2.gz KSXMOQJILHDXOI-DZGCQCFKSA-N 2 0 321.431 2.723 20 0 DFADRP C[C@@H]1CCCC[N@@H+]1Cc1ccc(NC(=O)[C@H]2CC[NH+](C)C2)cc1 ZINC000591097020 398726605 /nfs/dbraw/zinc/72/66/05/398726605.db2.gz LUOQRRZGNQVRKZ-WBVHZDCISA-N 2 0 315.461 2.951 20 0 DFADRP C[C@@H]1C[C@@H](C)C[NH+](CCCC[NH2+]Cc2c(Cl)cnn2C)C1 ZINC000130515207 283051384 /nfs/dbraw/zinc/05/13/84/283051384.db2.gz ONUOXTCHZVSTJO-ZIAGYGMSSA-N 2 0 312.889 2.921 20 0 DFADRP C[NH+](C)CCc1ccccc1NC(=O)NCC1([NH3+])CCCCC1 ZINC000415563922 295891282 /nfs/dbraw/zinc/89/12/82/295891282.db2.gz HQUQKYYOPFTQIQ-UHFFFAOYSA-N 2 0 318.465 2.574 20 0 DFADRP COc1ccc(C[N@H+](C)CCn2ccnc2)cc1OC(F)F ZINC000131106775 283071655 /nfs/dbraw/zinc/07/16/55/283071655.db2.gz JTXUBUVYGUKAOW-UHFFFAOYSA-N 2 0 311.332 2.625 20 0 DFADRP CC[NH+](CC)[C@@H](CNC(=O)C1([NH3+])CCCCC1)c1ccsc1 ZINC000236819176 202024586 /nfs/dbraw/zinc/02/45/86/202024586.db2.gz NMBMUFLIAPSXEW-HNNXBMFYSA-N 2 0 323.506 2.909 20 0 DFADRP C[NH2+]Cc1cccc(NC(=O)NCCC[NH+]2CCCCCC2)c1 ZINC000415933472 295903684 /nfs/dbraw/zinc/90/36/84/295903684.db2.gz PMBZOPOEGDCGFR-UHFFFAOYSA-N 2 0 318.465 2.794 20 0 DFADRP C[NH+](C)[C@@H](CNC(=O)Nc1ccc(C[NH3+])cc1)c1cccs1 ZINC000415957560 295906144 /nfs/dbraw/zinc/90/61/44/295906144.db2.gz MPPAWOMMJZMZOU-AWEZNQCLSA-N 2 0 318.446 2.631 20 0 DFADRP CC[NH2+]Cc1ccccc1NC(=O)N[C@H](C)C(C)(C)C[NH+](C)C ZINC000415961751 295906466 /nfs/dbraw/zinc/90/64/66/295906466.db2.gz WKKHSNIQFHZFPF-CQSZACIVSA-N 2 0 320.481 2.894 20 0 DFADRP CCN(CC[NH+]1CCCCCC1)C(=O)Nc1ccc(C[NH3+])cc1 ZINC000415963676 295906601 /nfs/dbraw/zinc/90/66/01/295906601.db2.gz VIUYTFKUUYMWNY-UHFFFAOYSA-N 2 0 318.465 2.875 20 0 DFADRP C[NH+](C)[C@@H](CNC(=O)Nc1ccc(C[NH3+])cc1)c1ccccc1 ZINC000415962918 295906739 /nfs/dbraw/zinc/90/67/39/295906739.db2.gz UMPVNZUDBYORRB-KRWDZBQOSA-N 2 0 312.417 2.570 20 0 DFADRP C[NH2+]Cc1ccc(NC(=O)NCC[NH+]2[C@H](C)CCC[C@H]2C)cc1 ZINC000415978092 295908181 /nfs/dbraw/zinc/90/81/81/295908181.db2.gz ZYSWNCAOWCXWCD-HUUCEWRRSA-N 2 0 318.465 2.790 20 0 DFADRP CC[NH+](CC)Cc1ccc(C[NH2+]Cc2ccc(CO)o2)cc1 ZINC000132777798 283129617 /nfs/dbraw/zinc/12/96/17/283129617.db2.gz HWZFQBRSAPSSBN-UHFFFAOYSA-N 2 0 302.418 2.904 20 0 DFADRP CC(C)CN(C(=O)[C@@H](C)[NH+]1CCCCCC1)C1CC[NH+](C)CC1 ZINC000074676858 398758995 /nfs/dbraw/zinc/75/89/95/398758995.db2.gz JQBJUGOBSJAGLB-QGZVFWFLSA-N 2 0 323.525 2.830 20 0 DFADRP CC[NH+](CC)[C@@H](CNC(=O)[C@]1(C)CCC[NH2+]C1)c1ccccc1 ZINC000236837387 202032636 /nfs/dbraw/zinc/03/26/36/202032636.db2.gz HCFHWTFCBDXETO-PKOBYXMFSA-N 2 0 317.477 2.575 20 0 DFADRP CC1CC[NH+](CCCCNC(=O)CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000236841066 202033527 /nfs/dbraw/zinc/03/35/27/202033527.db2.gz YJAIFWCSUHFSGC-AYHJJNSGSA-N 2 0 321.509 2.535 20 0 DFADRP CC[NH+](CC)[C@H](C(=O)N1CCC(C[NH2+]C)CC1)c1ccccc1 ZINC000236863366 202041506 /nfs/dbraw/zinc/04/15/06/202041506.db2.gz VDHTWOKBQUMCCD-SFHVURJKSA-N 2 0 317.477 2.528 20 0 DFADRP CC[NH+](CC)[C@H](CNC(=O)C1([NH3+])CCCC1)c1ccsc1 ZINC000236873864 202045934 /nfs/dbraw/zinc/04/59/34/202045934.db2.gz KRXMSSYMBXBXHK-CQSZACIVSA-N 2 0 309.479 2.519 20 0 DFADRP COc1cccc([C@H](C)[NH+]2CCC(C[NH+]3CCOCC3)CC2)c1 ZINC000081670767 192309311 /nfs/dbraw/zinc/30/93/11/192309311.db2.gz CCAYNDIECOTETB-INIZCTEOSA-N 2 0 318.461 2.800 20 0 DFADRP CC[C@H](C)[C@@H]([NH3+])C(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000236914971 202069234 /nfs/dbraw/zinc/06/92/34/202069234.db2.gz WNSASFVPVYDXRX-XJKSGUPXSA-N 2 0 321.490 2.547 20 0 DFADRP CC[C@H](C)[C@@H]([NH3+])C(=O)Nc1ccc(CC[NH+]2CCCC2)cc1 ZINC000236906188 202062651 /nfs/dbraw/zinc/06/26/51/202062651.db2.gz FWUNJAHZIUKYLW-WMLDXEAASA-N 2 0 303.450 2.637 20 0 DFADRP CC[C@@]1(C(=O)N2CCC[C@H](C[NH+]3CCCCCC3)C2)CCC[NH2+]1 ZINC000134593907 283193304 /nfs/dbraw/zinc/19/33/04/283193304.db2.gz SJXMNJIGZRNABN-MJGOQNOKSA-N 2 0 321.509 2.633 20 0 DFADRP CC[C@@H](C)[C@H]([NH3+])C(=O)NCc1ccc(C[NH+](CC)CC)cc1 ZINC000236945741 202086104 /nfs/dbraw/zinc/08/61/04/202086104.db2.gz KEYMMAIHCBAGNO-PBHICJAKSA-N 2 0 305.466 2.518 20 0 DFADRP CC[NH+](CC)Cc1cccc(NC(=O)C[C@H]2CSCC[NH2+]2)c1 ZINC000236928587 202077450 /nfs/dbraw/zinc/07/74/50/202077450.db2.gz SRDLYJMTGUQPIN-INIZCTEOSA-N 2 0 321.490 2.562 20 0 DFADRP CC[C@@H](C)[C@@H]([NH3+])C(=O)NCC1([NH+]2CCCCC2)CCCCC1 ZINC000236964957 202097955 /nfs/dbraw/zinc/09/79/55/202097955.db2.gz KJWFDVSZOBUYSC-HZPDHXFCSA-N 2 0 309.498 2.665 20 0 DFADRP CCC[C@@H]([NH3+])C(=O)NCc1ccccc1C[N@@H+]1CCC[C@@H](C)C1 ZINC000236966934 202098790 /nfs/dbraw/zinc/09/87/90/202098790.db2.gz DPTPVSLBNXKFBB-CRAIPNDOSA-N 2 0 317.477 2.662 20 0 DFADRP CCC[NH+](CCC)CCCNC(=O)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000236991196 202113440 /nfs/dbraw/zinc/11/34/40/202113440.db2.gz AJWOWDGNFRFBIN-ALOPSCKCSA-N 2 0 309.498 2.535 20 0 DFADRP COc1ccc(C[C@H](C)[NH2+]C[C@@H]2CCC[N@H+](C)C2)cc1OC ZINC000121217192 398786325 /nfs/dbraw/zinc/78/63/25/398786325.db2.gz GTADJVKUVYJHGS-HOCLYGCPSA-N 2 0 306.450 2.566 20 0 DFADRP CC[C@H](C)[C@H]([NH3+])C(=O)NCC(C)(C)[NH2+][C@H](C)c1ccccc1 ZINC000237021625 202126488 /nfs/dbraw/zinc/12/64/88/202126488.db2.gz RVRVPGHSBWWTGY-LZWOXQAQSA-N 2 0 305.466 2.605 20 0 DFADRP CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)c1cccc(C[NH+](C)C)c1 ZINC000075158598 398788689 /nfs/dbraw/zinc/78/86/89/398788689.db2.gz KRTOHCSSABYZBC-SFHVURJKSA-N 2 0 317.477 2.695 20 0 DFADRP C[NH+](C)Cc1ccsc1C(=O)NCC(C)(C)C[NH+]1CCCC1 ZINC000276942524 213192061 /nfs/dbraw/zinc/19/20/61/213192061.db2.gz ZOAAPIRFTNEVTA-UHFFFAOYSA-N 2 0 323.506 2.662 20 0 DFADRP C[N@H+](CCCNC(=O)C[C@H]([NH3+])c1ccccc1)C1CCCCC1 ZINC000237068282 202141664 /nfs/dbraw/zinc/14/16/64/202141664.db2.gz WKWUEKVVPAQWSN-SFHVURJKSA-N 2 0 317.477 2.847 20 0 DFADRP CC[NH2+]Cc1ccccc1NC(=O)C[C@H](C)[C@H]1CCC[NH2+]C1 ZINC000237054671 202138509 /nfs/dbraw/zinc/13/85/09/202138509.db2.gz IYYNDKOJLARWGV-GJZGRUSLSA-N 2 0 303.450 2.760 20 0 DFADRP CC[C@H](C)[C@@H]([NH3+])C(=O)NCc1cccc(C[NH+](CC)CC)c1 ZINC000237081672 202146474 /nfs/dbraw/zinc/14/64/74/202146474.db2.gz ZQYPNMLDCGTSTH-WMLDXEAASA-N 2 0 305.466 2.518 20 0 DFADRP C[NH2+]CCCC(=O)NCc1ccccc1C[N@@H+]1CCCC[C@@H]1C ZINC000237182504 202178323 /nfs/dbraw/zinc/17/83/23/202178323.db2.gz YBNNQWFXLUBSMJ-INIZCTEOSA-N 2 0 317.477 2.677 20 0 DFADRP COc1ccc(C[C@H](C)[NH2+]C[C@@H](C)C[NH+]2CCCC2)cc1OC ZINC000237232799 202199363 /nfs/dbraw/zinc/19/93/63/202199363.db2.gz HEHIXVXLSOCVCN-CVEARBPZSA-N 2 0 320.477 2.956 20 0 DFADRP COc1ccc(C[N@H+](C)CC2CC[NH2+]CC2)cc1OC(F)F ZINC000237268933 202211600 /nfs/dbraw/zinc/21/16/00/202211600.db2.gz FJTVQRYJCRGPAJ-UHFFFAOYSA-N 2 0 314.376 2.728 20 0 DFADRP CC(C)[N@@H+](C)Cc1cccc(C[NH2+][C@H](C)Cn2cccn2)c1 ZINC000139125646 283259006 /nfs/dbraw/zinc/25/90/06/283259006.db2.gz MBYHQLDMGURFDO-MRXNPFEDSA-N 2 0 300.450 2.902 20 0 DFADRP COc1ccc(Br)cc1CN1CC[C@H]([NH3+])C[C@@H]1C ZINC000124550337 398804030 /nfs/dbraw/zinc/80/40/30/398804030.db2.gz JUDJKFWLIYBPEP-GWCFXTLKSA-N 2 0 313.239 2.769 20 0 DFADRP COC(=O)c1ccc2c(c1)[C@@H]([NH2+][C@H](C)CC[NH+](C)C)CCC2 ZINC000594493051 398808908 /nfs/dbraw/zinc/80/89/08/398808908.db2.gz FDYWZQGGGHXMSU-DYVFJYSZSA-N 2 0 304.434 2.780 20 0 DFADRP COC(=O)c1ccc2c(c1)[C@@H]([NH2+]C[C@@H]1CCC[N@H+](C)C1)CCC2 ZINC000594494469 398808946 /nfs/dbraw/zinc/80/89/46/398808946.db2.gz GOAUKYYGCARXBA-KSSFIOAISA-N 2 0 316.445 2.782 20 0 DFADRP C[C@H]([NH2+]CC1CC[NH+](CCO)CC1)c1ccc(Cl)s1 ZINC000151810277 283297068 /nfs/dbraw/zinc/29/70/68/283297068.db2.gz OFSVBQURCTVTCR-NSHDSACASA-N 2 0 302.871 2.756 20 0 DFADRP CC[NH+](CC)[C@H](C)CNC(=O)c1ccc(C[NH+]2CCCC2)cc1 ZINC000075609451 398813080 /nfs/dbraw/zinc/81/30/80/398813080.db2.gz XUINZYUCJAYJIA-MRXNPFEDSA-N 2 0 317.477 2.743 20 0 DFADRP CCCC[N@H+](C)CC1CC[NH+](CCC(=O)N2CCC[C@H]2C)CC1 ZINC000075642724 398814956 /nfs/dbraw/zinc/81/49/56/398814956.db2.gz SPJNEFMLXMGDMX-QGZVFWFLSA-N 2 0 323.525 2.831 20 0 DFADRP COC(=O)c1ccc2c(c1)[C@H]([NH2+]C[C@H](C)C[NH+](C)C)CCC2 ZINC000594524483 398816298 /nfs/dbraw/zinc/81/62/98/398816298.db2.gz QPAMCJBAUHFLFG-SUMWQHHRSA-N 2 0 304.434 2.638 20 0 DFADRP COC(=O)N1CCC([NH2+]C2CC[NH+](C3CCCCC3)CC2)CC1 ZINC000152489726 283326166 /nfs/dbraw/zinc/32/61/66/283326166.db2.gz QQOCRMDYKHDLFZ-UHFFFAOYSA-N 2 0 323.481 2.604 20 0 DFADRP Cn1cc(C[N@H+](C)CC2CC[NH+](C)CC2)c(-c2ccccc2)n1 ZINC000180055218 199112964 /nfs/dbraw/zinc/11/29/64/199112964.db2.gz BVQIPYJUBBMWSN-UHFFFAOYSA-N 2 0 312.461 2.861 20 0 DFADRP CC[NH+]1CCN(CCC[NH2+][C@H]2c3cc(C)ccc3C[C@H]2C)CC1 ZINC000180109559 199118695 /nfs/dbraw/zinc/11/86/95/199118695.db2.gz NVWVXTZITRVWEF-YLJYHZDGSA-N 2 0 315.505 2.846 20 0 DFADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@H]1CC[C@H](O)C1 ZINC000276686375 213045994 /nfs/dbraw/zinc/04/59/94/213045994.db2.gz UFBMTKVIIXVCSU-BVBHFADKSA-N 2 0 302.462 2.648 20 0 DFADRP C[C@@H]([NH2+]CCOCC(F)F)c1cccc(OCC[NH+](C)C)c1 ZINC000276681734 213042677 /nfs/dbraw/zinc/04/26/77/213042677.db2.gz QRHUFKAQTXDYKR-CYBMUJFWSA-N 2 0 316.392 2.559 20 0 DFADRP CC(C)C[C@H](C[NH+](C)C)NC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000467613376 299273762 /nfs/dbraw/zinc/27/37/62/299273762.db2.gz LTINSLFITNSWFO-DLBZAZTESA-N 2 0 323.525 2.734 20 0 DFADRP COC(=O)c1cccc(C[N@@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)c1 ZINC000594735631 398852044 /nfs/dbraw/zinc/85/20/44/398852044.db2.gz LTRUROWBDKNHJY-SFHVURJKSA-N 2 0 316.445 2.685 20 0 DFADRP COc1cc([C@@H](C)[NH2+]CCCC[NH+]2CCN(C)CC2)ccc1F ZINC000152893618 283344323 /nfs/dbraw/zinc/34/43/23/283344323.db2.gz GZABLAAEWMCDTK-OAHLLOKOSA-N 2 0 323.456 2.513 20 0 DFADRP COc1ccc(COCC[NH+]2CCC(CC[NH+](C)C)CC2)cc1 ZINC000594877700 398864800 /nfs/dbraw/zinc/86/48/00/398864800.db2.gz OPHOLOAAGSLKIS-UHFFFAOYSA-N 2 0 320.477 2.876 20 0 DFADRP CCC(CC)[C@H](C[NH2+][C@H](C)[C@@H]1C[C@H]1C(=O)OC)[NH+]1CCCC1 ZINC000594914180 398869772 /nfs/dbraw/zinc/86/97/72/398869772.db2.gz DZKUOULZQMCMKH-XBVQOTNRSA-N 2 0 310.482 2.674 20 0 DFADRP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)NCC1([NH+](C)C)CCCCCC1 ZINC000468141409 299276880 /nfs/dbraw/zinc/27/68/80/299276880.db2.gz DGITYYGNSSTGRH-IYBDPMFKSA-N 2 0 309.498 2.630 20 0 DFADRP C[C@@H]([NH2+]C(C)(C)CNC(=O)[C@@]1(C)CCCC[NH2+]1)c1ccccc1 ZINC000237384231 202249921 /nfs/dbraw/zinc/24/99/21/202249921.db2.gz DSBNUGCEZANNJU-DNVCBOLYSA-N 2 0 317.477 2.764 20 0 DFADRP CCC[NH+]1CCC(N(C)C(=O)CC2(C[NH3+])CCCCC2)CC1 ZINC000185351677 199842492 /nfs/dbraw/zinc/84/24/92/199842492.db2.gz CJCOQTMHAMBBFX-UHFFFAOYSA-N 2 0 309.498 2.619 20 0 DFADRP C[C@H]([NH2+]CC1(N2CCCCC2)CC[NH+](C)CC1)c1ccco1 ZINC000124727412 299283203 /nfs/dbraw/zinc/28/32/03/299283203.db2.gz ODCUWWDSTREFPH-INIZCTEOSA-N 2 0 305.466 2.881 20 0 DFADRP C[C@H](C(=O)N1CCC[C@H]1C[NH+]1CCCCC1)[NH+]1CCCCCC1 ZINC000175953524 283416202 /nfs/dbraw/zinc/41/62/02/283416202.db2.gz WHMSGYCRTCZOGF-MSOLQXFVSA-N 2 0 321.509 2.728 20 0 DFADRP CCOC(=O)c1[nH]c(C)c(C[NH2+]C[C@@H]2CCC[N@H+](CC)C2)c1C ZINC000598959326 398897692 /nfs/dbraw/zinc/89/76/92/398897692.db2.gz ILYDRVIRDQPCBI-HNNXBMFYSA-N 2 0 321.465 2.630 20 0 DFADRP CN1CC[C@@H](C[N@H+](C)CC[C@H]2CCCO2)[C@@H]1c1cccnc1 ZINC000469999145 299290845 /nfs/dbraw/zinc/29/08/45/299290845.db2.gz KXGVQZZHRUMOLH-KSZLIROESA-N 2 0 303.450 2.575 20 0 DFADRP CCOC(=O)c1[nH]c(C)c(C[NH2+]CC[C@@H]2CCC[N@H+](C)C2)c1C ZINC000598981626 398902645 /nfs/dbraw/zinc/90/26/45/398902645.db2.gz PKWZXZRKLSVFSL-HNNXBMFYSA-N 2 0 321.465 2.630 20 0 DFADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CC2(SCC)CC2)[C@@H](C)C1 ZINC000595098229 398904610 /nfs/dbraw/zinc/90/46/10/398904610.db2.gz DZIINMKKZMTMGE-JKSUJKDBSA-N 2 0 314.539 2.999 20 0 DFADRP CC[NH+]1CCN(CCC[NH2+][C@H](Cc2ccccc2)C(C)C)CC1 ZINC000186999238 200045445 /nfs/dbraw/zinc/04/54/45/200045445.db2.gz QLXRHIVJJWOCDP-HXUWFJFHSA-N 2 0 317.521 2.871 20 0 DFADRP CN1c2ccc(C[NH2+][C@@H]3CCC[C@H]([NH+](C)C)C3)cc2CCC1=O ZINC000187281851 200088333 /nfs/dbraw/zinc/08/83/33/200088333.db2.gz JETVFMNUHRJOKG-SJORKVTESA-N 2 0 315.461 2.558 20 0 DFADRP CSC1(C[NH2+][C@H]2CCCc3scnc32)CC[NH+](C)CC1 ZINC000599046769 398912681 /nfs/dbraw/zinc/91/26/81/398912681.db2.gz NBQPGUOCVKEIMC-LBPRGKRZSA-N 2 0 311.520 2.938 20 0 DFADRP C[NH+]1CCN(CCC[NH2+][C@@H]2CC[C@@](C)(c3ccccc3)C2)CC1 ZINC000187710508 200147838 /nfs/dbraw/zinc/14/78/38/200147838.db2.gz MYAJZUWRLUIVCM-WOJBJXKFSA-N 2 0 315.505 2.724 20 0 DFADRP C[C@H](C[NH2+]CCC[NH+]1CCC(O)CC1)c1cccc(Cl)c1 ZINC000187708840 200147848 /nfs/dbraw/zinc/14/78/48/200147848.db2.gz PIUQNLJHAVVJEE-CQSZACIVSA-N 2 0 310.869 2.880 20 0 DFADRP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@@H](C)Cc2ccccc2F)CC1 ZINC000187956944 200182918 /nfs/dbraw/zinc/18/29/18/200182918.db2.gz FDQNOMWKARSHSX-SJORKVTESA-N 2 0 321.484 2.620 20 0 DFADRP COC(=O)CC1CCC([NH2+][C@H]2CCCN3CCCC[C@@H]23)CC1 ZINC000599056380 398914405 /nfs/dbraw/zinc/91/44/05/398914405.db2.gz XSTCTWMWEXGLIO-GQGLESIBSA-N 2 0 308.466 2.715 20 0 DFADRP CC[C@H]([NH2+]CCN1CCC([NH+](C)C)CC1)c1cccc(F)c1 ZINC000188110035 200195142 /nfs/dbraw/zinc/19/51/42/200195142.db2.gz NIAMXEVHEQCLEI-SFHVURJKSA-N 2 0 307.457 2.892 20 0 DFADRP CC[NH+]1CCN([C@H]2CC[N@H+](C[C@H]3CCCCC3(C)C)C2)CC1 ZINC000595311479 398921159 /nfs/dbraw/zinc/92/11/59/398921159.db2.gz HFJUNPMMJFNNOT-MSOLQXFVSA-N 2 0 307.526 2.915 20 0 DFADRP C[C@@H](C[C@H]1COCC[NH2+]1)NCC1([NH+]2CCCCC2)CCCCC1 ZINC000261949434 296002273 /nfs/dbraw/zinc/00/22/73/296002273.db2.gz WBVHBAGDCQXKLX-ROUUACIJSA-N 2 0 323.525 2.532 20 0 DFADRP C[C@H](C[NH2+][C@H]1CC[C@H](Cc2ccccc2)C1)N1CC[NH+](C)CC1 ZINC000189152572 200357037 /nfs/dbraw/zinc/35/70/37/200357037.db2.gz LCJHVEAZCJLOKE-RLLQIKCJSA-N 2 0 315.505 2.623 20 0 DFADRP CCO[C@@H](CC[NH+](C)C)C[NH2+]Cc1ccc(Cl)cc1F ZINC000189376613 200390554 /nfs/dbraw/zinc/39/05/54/200390554.db2.gz MCATYEPKHOVJIB-AWEZNQCLSA-N 2 0 302.821 2.926 20 0 DFADRP C[C@H]1C[C@@H](NCC2([NH+](C)C)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000417351466 296012787 /nfs/dbraw/zinc/01/27/87/296012787.db2.gz CRLWPTIOGWFUFS-WMZOPIPTSA-N 2 0 301.478 2.723 20 0 DFADRP CC[NH+](CC)Cc1ccccc1CNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC000599296071 398949685 /nfs/dbraw/zinc/94/96/85/398949685.db2.gz FUEZPUBFWFFZKR-SFHVURJKSA-N 2 0 317.477 2.629 20 0 DFADRP CC(C)C[C@@H]([NH3+])C(=O)Nc1nc(CN2CCC[C@H](C)C2)cs1 ZINC000621525885 398960834 /nfs/dbraw/zinc/96/08/34/398960834.db2.gz ICYSVIGAYAZJRC-GXTWGEPZSA-N 2 0 324.494 2.687 20 0 DFADRP C[C@@H]([NH2+]CC1=CC[N@H+](C)CC1)c1cccc(N2CCOC2=O)c1 ZINC000271898685 209306745 /nfs/dbraw/zinc/30/67/45/209306745.db2.gz VBGLIQBNQOSJSH-CQSZACIVSA-N 2 0 315.417 2.556 20 0 DFADRP C[C@@H](CCN1CC[NH+](C)CC1)[NH2+]Cc1cccc2ccccc21 ZINC000193155960 201001269 /nfs/dbraw/zinc/00/12/69/201001269.db2.gz ZWWIGGYQRVOWTJ-KRWDZBQOSA-N 2 0 311.473 2.955 20 0 DFADRP C[C@H]([NH3+])CCC(=O)NC[C@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC000193298154 201022859 /nfs/dbraw/zinc/02/28/59/201022859.db2.gz VVPIMTGYTMQCNJ-XJKSGUPXSA-N 2 0 323.868 2.721 20 0 DFADRP COC(=O)[C@@](C)(C[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1)c1ccccc1 ZINC000600150590 398973070 /nfs/dbraw/zinc/97/30/70/398973070.db2.gz FDHDPVPMYQHFLL-APWZRJJASA-N 2 0 318.461 2.580 20 0 DFADRP C[N@H+](CC1CC1)C[C@@H]1CC[NH+](CCc2ccc3c(c2)CCO3)C1 ZINC000472471990 299326544 /nfs/dbraw/zinc/32/65/44/299326544.db2.gz SDHXCRQEDVLVCF-SFHVURJKSA-N 2 0 314.473 2.828 20 0 DFADRP COC(=O)CCCC[NH+]1CCC([NH2+]Cc2ccccc2)CC1 ZINC000599431576 398979204 /nfs/dbraw/zinc/97/92/04/398979204.db2.gz LDGBEXSKSJVSCN-UHFFFAOYSA-N 2 0 304.434 2.584 20 0 DFADRP C[NH+](C)CCOCC[NH2+][C@H]1CCCOc2cc(Cl)ccc21 ZINC000447597652 297310036 /nfs/dbraw/zinc/31/00/36/297310036.db2.gz SYXRIIVFYXUIAC-HNNXBMFYSA-N 2 0 312.841 2.722 20 0 DFADRP C[C@@H](C[NH2+]Cc1ccnc(OCC[NH+](C)C)c1)c1ccccc1 ZINC000194576817 201254824 /nfs/dbraw/zinc/25/48/24/201254824.db2.gz JEAPPPWUFWELRB-INIZCTEOSA-N 2 0 313.445 2.915 20 0 DFADRP CC[NH2+]CC1CCN(C(=O)C(C)(C)[C@H]([NH3+])c2ccccc2)CC1 ZINC000417818458 296054290 /nfs/dbraw/zinc/05/42/90/296054290.db2.gz SJFYXXWNVADGJG-QGZVFWFLSA-N 2 0 317.477 2.561 20 0 DFADRP CCCC[N@@H+]1CCCC[C@H]1CNC(=O)CC[C@H]1CCC[NH2+]C1 ZINC000621642038 399006554 /nfs/dbraw/zinc/00/65/54/399006554.db2.gz CDMFOQBAIYSXEK-SJORKVTESA-N 2 0 309.498 2.537 20 0 DFADRP C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)CC[C@@H]2CCC[NH2+]C2)C1 ZINC000621642255 399007603 /nfs/dbraw/zinc/00/76/03/399007603.db2.gz JAGYUUMDOYJVFT-ZACQAIPSSA-N 2 0 323.525 2.639 20 0 DFADRP CCC[C@H](C(=O)N(CC)Cc1ccc(C[NH+](C)C)cc1)[NH+](C)C ZINC000131590028 283760434 /nfs/dbraw/zinc/76/04/34/283760434.db2.gz RJAKIHGMIFZCBV-GOSISDBHSA-N 2 0 319.493 2.827 20 0 DFADRP OC[C@H](CC1CCCCC1)[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000418125925 296079535 /nfs/dbraw/zinc/07/95/35/296079535.db2.gz KHJDCLRYUXQZSC-SFHVURJKSA-N 2 0 317.477 2.971 20 0 DFADRP CC[C@H](C)[NH2+][C@@H](CNC(=O)NCC([NH3+])(CC)CC)c1ccco1 ZINC000418158865 296080937 /nfs/dbraw/zinc/08/09/37/296080937.db2.gz BSNXJIPDKIKNNW-KBPBESRZSA-N 2 0 324.469 2.526 20 0 DFADRP CCCc1ccc(C[N@@H+]2CCOC3(CC[NH+](C)CC3)C2)s1 ZINC000621731877 399053417 /nfs/dbraw/zinc/05/34/17/399053417.db2.gz DFULTECHRXQDKG-UHFFFAOYSA-N 2 0 308.491 2.997 20 0 DFADRP c1ccc([C@H]2OCC[C@@H]2C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000477925143 299364624 /nfs/dbraw/zinc/36/46/24/299364624.db2.gz HWUKPECPGOSWPY-NCXUSEDFSA-N 2 0 300.446 2.981 20 0 DFADRP C[NH+]1CCC(O)(C[NH2+]Cc2c(Cl)oc3ccccc32)CC1 ZINC000270512110 283950482 /nfs/dbraw/zinc/95/04/82/283950482.db2.gz OXZGUEHMKABWCD-UHFFFAOYSA-N 2 0 308.809 2.633 20 0 DFADRP C[NH+]1CCC(O)(C[NH2+][C@H](c2ccc(Cl)cc2)C2CC2)CC1 ZINC000271774136 209201904 /nfs/dbraw/zinc/20/19/04/209201904.db2.gz UTFTZWPJKUTBPL-INIZCTEOSA-N 2 0 308.853 2.837 20 0 DFADRP CCO[C@H]1CCC[NH+](CC(C)C[N@H+]2CCC[C@H](OCC)C2)C1 ZINC000606439210 399069934 /nfs/dbraw/zinc/06/99/34/399069934.db2.gz KSJFKSGFYFBRSW-ROUUACIJSA-N 2 0 312.498 2.624 20 0 DFADRP CC[NH+](CC)CC(=O)NCc1ccccc1C[NH+]1CCCCC1 ZINC000479305649 299374558 /nfs/dbraw/zinc/37/45/58/299374558.db2.gz HYJUSJLUYLEJRN-UHFFFAOYSA-N 2 0 317.477 2.631 20 0 DFADRP C[C@H]([NH2+][C@@H]1CCC[C@@H]([NH+](C)C)C1)c1ccc(C(=O)N(C)C)cc1 ZINC000292367117 299377727 /nfs/dbraw/zinc/37/77/27/299377727.db2.gz YZINGKAUQPOXHP-BMGDILEWSA-N 2 0 317.477 2.912 20 0 DFADRP C[C@H]1CC[C@H](C)[NH+]1CC(=O)NC1CC[NH+](CC2CCCC2)CC1 ZINC000479588918 299380521 /nfs/dbraw/zinc/38/05/21/299380521.db2.gz JYHRBUHXXUOYIM-HOTGVXAUSA-N 2 0 321.509 2.630 20 0 DFADRP C[C@@H]([NH2+]CCCN1CCC[N@H+](C)CC1)[C@@H](C)c1ccccc1 ZINC000128277202 296123299 /nfs/dbraw/zinc/12/32/99/296123299.db2.gz LDOWLQIASHMEMA-QZTJIDSGSA-N 2 0 303.494 2.796 20 0 DFADRP Cc1cc(N2C[C@@H](C)[N@@H+](CCO)C[C@@H]2C)c2cc(F)ccc2[nH+]1 ZINC000419005391 296123696 /nfs/dbraw/zinc/12/36/96/296123696.db2.gz PIKNTTXPRXGBKJ-KGLIPLIRSA-N 2 0 317.408 2.574 20 0 DFADRP CC[C@H](C)C[NH+]1CCN(c2ccccc2OCC[NH+](C)C)CC1 ZINC000481074565 299391438 /nfs/dbraw/zinc/39/14/38/299391438.db2.gz NDCRHOWCIKPNQZ-KRWDZBQOSA-N 2 0 319.493 2.795 20 0 DFADRP CC[NH+](CC)Cc1ccc(C(=O)N[C@@H]2CCC[N@H+](CC)C2)cc1 ZINC000338147402 284091031 /nfs/dbraw/zinc/09/10/31/284091031.db2.gz FOJHMDQOGNHKSZ-GOSISDBHSA-N 2 0 317.477 2.743 20 0 DFADRP CC[NH+]1CCC(NC(=O)C[N@H+](C)[C@@H]2CCC[C@H]2C(C)(C)C)CC1 ZINC000419327191 296134620 /nfs/dbraw/zinc/13/46/20/296134620.db2.gz NIPIJINDBXUYAG-IAGOWNOFSA-N 2 0 323.525 2.734 20 0 DFADRP CC[NH+](CC)[C@@H](CNC(=O)CC[C@@H]1CC[NH2+]C1)c1ccsc1 ZINC000261884786 203143885 /nfs/dbraw/zinc/14/38/85/203143885.db2.gz UXKVMCYWEQHEIV-ZBFHGGJFSA-N 2 0 323.506 2.637 20 0 DFADRP C[N@@H+](Cc1c[nH]nc1-c1ccc(F)cc1)CC1CC[NH+](C)CC1 ZINC000093089024 193202141 /nfs/dbraw/zinc/20/21/41/193202141.db2.gz MZZMKPDCIPFLOW-UHFFFAOYSA-N 2 0 316.424 2.989 20 0 DFADRP COCCCOc1cccc(C[N@H+](C)CC2CC[NH+](C)CC2)c1 ZINC000093089372 193202364 /nfs/dbraw/zinc/20/23/64/193202364.db2.gz NTCXFVGGIIWLLV-UHFFFAOYSA-N 2 0 320.477 2.876 20 0 DFADRP C[N@@H+](Cc1cnc(-c2ccccn2)s1)CC1CC[NH+](C)CC1 ZINC000093089388 193203217 /nfs/dbraw/zinc/20/32/17/193203217.db2.gz HWLGSFSQCUJUJY-UHFFFAOYSA-N 2 0 316.474 2.979 20 0 DFADRP CCC[C@@](C)([NH3+])C(=O)NCC[C@H](C)[N@H+](C)Cc1ccccc1 ZINC000262095435 203196958 /nfs/dbraw/zinc/19/69/58/203196958.db2.gz BNVRURBJTHKWQY-MAUKXSAKSA-N 2 0 305.466 2.531 20 0 DFADRP CC(C)[N@H+](C)Cc1ccccc1CNC(=O)[C@H]1CC[NH2+][C@@H](C)C1 ZINC000262381947 203278697 /nfs/dbraw/zinc/27/86/97/203278697.db2.gz LPMBQKHCTTWEAF-HOTGVXAUSA-N 2 0 317.477 2.531 20 0 DFADRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+]Cc1cc(F)cc(Cl)c1 ZINC000275042581 212090024 /nfs/dbraw/zinc/09/00/24/212090024.db2.gz YSSNGBHTYXVECK-CYBMUJFWSA-N 2 0 313.848 2.595 20 0 DFADRP O=C(Nc1ccc(-c2ncc[nH]2)cc1)[C@]12C[NH2+]C[C@@H]1CCCC2 ZINC000262405405 203284425 /nfs/dbraw/zinc/28/44/25/203284425.db2.gz PXUCQJXCZYHZBP-KBXCAEBGSA-N 2 0 310.401 2.795 20 0 DFADRP C[C@H]([NH2+]C(C)(C)CNC(=O)[C@H]1CC[NH2+][C@@H](C)C1)c1ccccc1 ZINC000262465769 203302519 /nfs/dbraw/zinc/30/25/19/203302519.db2.gz WGXDVAIDIOBLTK-ZOBUZTSGSA-N 2 0 317.477 2.620 20 0 DFADRP Cc1cnc(CC[NH2+][C@H]2CCN([C@H](C)c3ccccc3)C2)nc1 ZINC000340108625 284152359 /nfs/dbraw/zinc/15/23/59/284152359.db2.gz JMUGXOAYLFOQFL-AEFFLSMTSA-N 2 0 310.445 2.753 20 0 DFADRP [NH3+][C@@H]1CCC[C@H]([NH2+]Cc2cc(Br)ccc2F)C1 ZINC000093215442 193217694 /nfs/dbraw/zinc/21/76/94/193217694.db2.gz XRXGRAXSSNCBOI-NEPJUHHUSA-N 2 0 301.203 2.948 20 0 DFADRP CC1CC[NH+](Cc2ccc(NC(=O)C[NH2+]CC3CC3)cc2)CC1 ZINC000262659013 203368879 /nfs/dbraw/zinc/36/88/79/203368879.db2.gz FDMUKFMZFWRQRF-UHFFFAOYSA-N 2 0 315.461 2.857 20 0 DFADRP OC[C@@H]1CCC[N@@H+]1CCCC[NH2+]Cc1cc(F)cc(Cl)c1 ZINC000275000601 212067331 /nfs/dbraw/zinc/06/73/31/212067331.db2.gz NPJQMNGSHKMMKG-INIZCTEOSA-N 2 0 314.832 2.806 20 0 DFADRP CCOC(=O)CCCCC[N@@H+]1CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000600725333 399125022 /nfs/dbraw/zinc/12/50/22/399125022.db2.gz JAWUGWLQFFNPTI-CHWSQXEVSA-N 2 0 324.387 2.569 20 0 DFADRP CCOC(=O)CCCCC[N@@H+]1CC[C@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000600725337 399125189 /nfs/dbraw/zinc/12/51/89/399125189.db2.gz JAWUGWLQFFNPTI-OLZOCXBDSA-N 2 0 324.387 2.569 20 0 DFADRP Cc1nn(C)cc1C[NH+]1CCC(CCC[NH+]2CCCC2)CC1 ZINC000093769279 193304027 /nfs/dbraw/zinc/30/40/27/193304027.db2.gz VDAVCAFWOJLALW-UHFFFAOYSA-N 2 0 304.482 2.817 20 0 DFADRP COC[C@]1(CNc2cc[nH+]c3cc(F)c(OC)cc23)CCC[NH2+]1 ZINC000420245239 296165364 /nfs/dbraw/zinc/16/53/64/296165364.db2.gz FDGVVNBHKVGHIG-QGZVFWFLSA-N 2 0 319.380 2.563 20 0 DFADRP CCCc1cc(N2CCN([C@H]3CC[NH2+]C3)CC2)c2ccccc2[nH+]1 ZINC000420253142 296165905 /nfs/dbraw/zinc/16/59/05/296165905.db2.gz DCSFQAVODDLPPU-KRWDZBQOSA-N 2 0 324.472 2.671 20 0 DFADRP Brc1ccc2nccc(N3CC[C@@H]4C[NH2+]C[C@@H]43)c2c1 ZINC000420278708 296168720 /nfs/dbraw/zinc/16/87/20/296168720.db2.gz OBTSUOCQTVAAPG-BMIGLBTASA-N 2 0 318.218 2.795 20 0 DFADRP Cc1cc(N2C[C@H](C[NH3+])C3(C2)CCOCC3)c2ccccc2[nH+]1 ZINC000420276605 296168383 /nfs/dbraw/zinc/16/83/83/296168383.db2.gz PHJWZSFSWDVRLK-HNNXBMFYSA-N 2 0 311.429 2.735 20 0 DFADRP Cc1cc(N2C[C@@H](C)[C@@H]([NH3+])C2)c2cc(OC(F)F)ccc2[nH+]1 ZINC000420278057 296168492 /nfs/dbraw/zinc/16/84/92/296168492.db2.gz NSESHMDCVVZBGP-RNCFNFMXSA-N 2 0 307.344 2.928 20 0 DFADRP COC(=O)[C@H](c1cccc(Cl)c1)N1CCC([C@@H](C)[NH3+])CC1 ZINC000420289296 296169914 /nfs/dbraw/zinc/16/99/14/296169914.db2.gz IATDFZVMTNVKAK-ABAIWWIYSA-N 2 0 310.825 2.613 20 0 DFADRP CC[N@H+](Cc1ccc(C(=O)N[C@H](C)CC[NH+](C)C)cc1)C(C)C ZINC000264902110 204252962 /nfs/dbraw/zinc/25/29/62/204252962.db2.gz LORAXCVNZRTJLR-MRXNPFEDSA-N 2 0 319.493 2.987 20 0 DFADRP Cc1cc(NC[C@@H]2CCNCC2(F)F)c2cc(F)ccc2[nH+]1 ZINC000420292551 296170305 /nfs/dbraw/zinc/17/03/05/296170305.db2.gz WTTGPVABNNGBMD-NSHDSACASA-N 2 0 309.335 2.761 20 0 DFADRP C[C@H]([NH3+])[C@@H]1CCCN(Cc2ccn(-c3c(F)cccc3F)n2)C1 ZINC000420291862 296170166 /nfs/dbraw/zinc/17/01/66/296170166.db2.gz ODORFUBTCOARLA-QWHCGFSZSA-N 2 0 320.387 2.710 20 0 DFADRP C[C@H]([NH3+])[C@H]1CCC[N@H+](CCOc2ccc(Cl)c(F)c2)C1 ZINC000420295693 296170694 /nfs/dbraw/zinc/17/06/94/296170694.db2.gz VYPUHQJVYIMODJ-RYUDHWBXSA-N 2 0 300.805 2.917 20 0 DFADRP COc1ccccc1C[N@H+](CC[C@@H]1CC[NH2+]C1)C[C@H]1CCCO1 ZINC000420297428 296170737 /nfs/dbraw/zinc/17/07/37/296170737.db2.gz DITSJFGLNVVWOF-FUHWJXTLSA-N 2 0 318.461 2.676 20 0 DFADRP COc1ccccc1C[N@H+](CC[C@H]1CC[NH2+]C1)C[C@H]1CCCO1 ZINC000420297429 296170821 /nfs/dbraw/zinc/17/08/21/296170821.db2.gz DITSJFGLNVVWOF-SJLPKXTDSA-N 2 0 318.461 2.676 20 0 DFADRP [NH3+]CCC[N@@H+]1CCC[C@@H](c2nc(-c3ccc(Cl)cc3)no2)C1 ZINC000420297464 296170944 /nfs/dbraw/zinc/17/09/44/296170944.db2.gz FURGLIFNKXRIMI-CYBMUJFWSA-N 2 0 320.824 2.918 20 0 DFADRP CC[N@H+](CC[C@@H]1CCC[NH2+]C1)[C@@H]1CCN(c2ccccc2)C1=O ZINC000420301105 296171804 /nfs/dbraw/zinc/17/18/04/296171804.db2.gz LAWNFWLSFRTKOQ-FUHWJXTLSA-N 2 0 315.461 2.504 20 0 DFADRP C[C@@H]([NH3+])C1CC[NH+](CCOc2ccc(Cl)c(F)c2)CC1 ZINC000420304701 296172059 /nfs/dbraw/zinc/17/20/59/296172059.db2.gz YJVPOXSCLATMAP-LLVKDONJSA-N 2 0 300.805 2.917 20 0 DFADRP Clc1cccc(CN2CC[NH+](CC[C@@H]3CCC[NH2+]C3)CC2)c1 ZINC000420307957 296172819 /nfs/dbraw/zinc/17/28/19/296172819.db2.gz RTGDPQJFGWSKEV-INIZCTEOSA-N 2 0 321.896 2.847 20 0 DFADRP Cc1cccc(NC(=O)[C@H](C)[NH+]2CCC([C@@H](C)[NH3+])CC2)c1C ZINC000420305773 296172482 /nfs/dbraw/zinc/17/24/82/296172482.db2.gz ZMBIWTFRFJNCPF-CABCVRRESA-N 2 0 303.450 2.690 20 0 DFADRP COc1ccc([C@@H](C[NH3+])CN(C)CC[C@H]2CCCC[N@@H+]2C)cc1 ZINC000420307227 296172616 /nfs/dbraw/zinc/17/26/16/296172616.db2.gz BHHCDVFYJSABIR-ZWKOTPCHSA-N 2 0 319.493 2.544 20 0 DFADRP Cc1cccc(NC(=O)[C@@H](C)[NH+]2CCC([C@H](C)[NH3+])CC2)c1C ZINC000420305776 296172716 /nfs/dbraw/zinc/17/27/16/296172716.db2.gz ZMBIWTFRFJNCPF-LSDHHAIUSA-N 2 0 303.450 2.690 20 0 DFADRP C[NH2+]CCC1CCN([C@H](C)c2nnnn2C2CCCCC2)CC1 ZINC000420309907 296173102 /nfs/dbraw/zinc/17/31/02/296173102.db2.gz PCFCBVPOVMRRJW-CQSZACIVSA-N 2 0 320.485 2.561 20 0 DFADRP COc1ccc([C@H](C[NH3+])CN(C)C2CC[NH+](C(C)C)CC2)cc1 ZINC000420315040 296173764 /nfs/dbraw/zinc/17/37/64/296173764.db2.gz ZKCWTVPVJGVUTP-QGZVFWFLSA-N 2 0 319.493 2.542 20 0 DFADRP CC[NH+](CC)CCN(CC[C@@H]1CC[NH2+]C1)Cc1ccccc1 ZINC000420309236 296172973 /nfs/dbraw/zinc/17/29/73/296172973.db2.gz DTJCUIFOEZCZLB-SFHVURJKSA-N 2 0 303.494 2.830 20 0 DFADRP CC[N@@H+]1CC[C@H](N(C)C[C@@H](C[NH3+])c2ccc(OC)cc2)C[C@H]1C ZINC000420308059 296173022 /nfs/dbraw/zinc/17/30/22/296173022.db2.gz CISWWIGHPFFAFP-NXHRZFHOSA-N 2 0 319.493 2.542 20 0 DFADRP COc1ccc(CC[NH2+][C@@H]2C[C@@H](C)[N@H+](C)C[C@@H]2C)c(OC)c1 ZINC000341886721 284283105 /nfs/dbraw/zinc/28/31/05/284283105.db2.gz CCTSYEHGTZYFQA-JJRVBVJISA-N 2 0 306.450 2.565 20 0 DFADRP COc1ccc(C[N@H+](C)CC[C@H]2CC[NH2+]C2)cc1OC(F)F ZINC000420318257 296174507 /nfs/dbraw/zinc/17/45/07/296174507.db2.gz OFVPCTUJOBNVBU-GFCCVEGCSA-N 2 0 314.376 2.728 20 0 DFADRP FC(F)(F)c1ccc(C[NH+]2CCC([C@@H]3CC[NH2+]C3)CC2)nc1 ZINC000420320095 296174577 /nfs/dbraw/zinc/17/45/77/296174577.db2.gz STKTYJDSFFQPDU-CYBMUJFWSA-N 2 0 313.367 2.922 20 0 DFADRP Cc1cccc(NC[C@@H]2CC[N@H+](CC[C@H]3CCC[NH2+]C3)C2)n1 ZINC000420319801 296174590 /nfs/dbraw/zinc/17/45/90/296174590.db2.gz PMXNHXQHONXVKE-SJORKVTESA-N 2 0 302.466 2.514 20 0 DFADRP CCN(C[C@@H]1CC[N@H+](CC[C@H]2CCC[NH2+]C2)C1)CC(F)(F)F ZINC000420317851 296174116 /nfs/dbraw/zinc/17/41/16/296174116.db2.gz NHCJCKZSALFSIZ-CABCVRRESA-N 2 0 321.431 2.582 20 0 DFADRP CC[N@H+](CC[C@@H]1CC[NH2+]C1)CC1CCN(c2ccccn2)CC1 ZINC000420316681 296174122 /nfs/dbraw/zinc/17/41/22/296174122.db2.gz MCALBVXZCZJBQC-KRWDZBQOSA-N 2 0 316.493 2.620 20 0 DFADRP [NH3+][C@@H](Cc1ccccc1)[C@@H](O)C[N@@H+]1CCC[C@@H]1Cc1ccccc1 ZINC000420322846 296175027 /nfs/dbraw/zinc/17/50/27/296175027.db2.gz SNMZYEMWFCLUOE-HKBOAZHASA-N 2 0 324.468 2.624 20 0 DFADRP C[C@@H](c1ccc(F)cc1F)N1CC[NH+](CC[C@H]2CC[NH2+]C2)CC1 ZINC000420324889 296175151 /nfs/dbraw/zinc/17/51/51/296175151.db2.gz VPNSRQOVRUIKML-LSDHHAIUSA-N 2 0 323.431 2.643 20 0 DFADRP CO[C@H](C)c1nc(C[N@@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)cs1 ZINC000420321552 296174891 /nfs/dbraw/zinc/17/48/91/296174891.db2.gz CTKCKCWRINFASE-MCIONIFRSA-N 2 0 309.479 2.672 20 0 DFADRP [NH3+]C[C@@H]1C[N@@H+]([C@H]2CCc3ccc(F)cc32)CC12CCOCC2 ZINC000420321260 296174927 /nfs/dbraw/zinc/17/49/27/296174927.db2.gz COZYGRMVVREVNG-PBHICJAKSA-N 2 0 304.409 2.500 20 0 DFADRP c1cc2c(cc1[C@H]1CCC[N@H+]1CC[C@H]1CC[NH2+]C1)OCCO2 ZINC000420327851 296176204 /nfs/dbraw/zinc/17/62/04/296176204.db2.gz YZNAZGGOILXWTI-GDBMZVCRSA-N 2 0 302.418 2.594 20 0 DFADRP Cc1ccc(NC(=O)C[N@@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)c(C)c1 ZINC000420331377 296176347 /nfs/dbraw/zinc/17/63/47/296176347.db2.gz BVGWJYMRUIMBEB-IAGOWNOFSA-N 2 0 315.461 2.563 20 0 DFADRP Cc1ccccc1NC(=O)[C@H](C)[N@@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420331186 296176514 /nfs/dbraw/zinc/17/65/14/296176514.db2.gz BSXLTWQZAAZNQR-BBWFWOEESA-N 2 0 315.461 2.644 20 0 DFADRP C[C@H](C(=O)N(C)C1CCCCC1)[NH+]1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000420335084 296176659 /nfs/dbraw/zinc/17/66/59/296176659.db2.gz JWMRVHWRVWRSPD-QAPCUYQASA-N 2 0 321.509 2.630 20 0 DFADRP CSc1ccccc1C[N@@H+]1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000420327166 296175763 /nfs/dbraw/zinc/17/57/63/296175763.db2.gz KUNJTINVGIEVEE-OAHLLOKOSA-N 2 0 306.475 2.596 20 0 DFADRP C[C@H](c1nc(-c2ccccc2)no1)[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000420338038 296177249 /nfs/dbraw/zinc/17/72/49/296177249.db2.gz NPSVJZZTUCYHLJ-BMFZPTHFSA-N 2 0 312.417 2.729 20 0 DFADRP CC(=O)c1ccccc1OCC[N@@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420339456 296177467 /nfs/dbraw/zinc/17/74/67/296177467.db2.gz LSKSMVVRMDVRBK-SJORKVTESA-N 2 0 316.445 2.590 20 0 DFADRP COC(=O)c1ccc(F)c(C[NH+]2CCC([C@@H]3CCC[NH2+]3)CC2)c1 ZINC000420332562 296176727 /nfs/dbraw/zinc/17/67/27/296176727.db2.gz GNIQFPBOVFTFDO-KRWDZBQOSA-N 2 0 320.408 2.576 20 0 DFADRP COC(=O)c1cc(C[NH+]2CCC([C@@H]3CCC[NH2+]3)CC2)c(C)s1 ZINC000420334651 296176790 /nfs/dbraw/zinc/17/67/90/296176790.db2.gz JPNYTUSHMOQBNL-HNNXBMFYSA-N 2 0 322.474 2.807 20 0 DFADRP C[C@@H](C(=O)NC1CCC(C)CC1)[NH+]1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000420334491 296176856 /nfs/dbraw/zinc/17/68/56/296176856.db2.gz GNAZQOLXWXHOKN-QZOMQWOVSA-N 2 0 321.509 2.534 20 0 DFADRP O=C(CC[NH+]1CCC([C@@H]2CCC[NH2+]2)CC1)Nc1ccc(F)cc1 ZINC000420341493 296177785 /nfs/dbraw/zinc/17/77/85/296177785.db2.gz ORDKIMPGSXSATN-KRWDZBQOSA-N 2 0 319.424 2.618 20 0 DFADRP c1ccc2c(c1)cccc2CCC[N@@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000420345615 296177999 /nfs/dbraw/zinc/17/79/99/296177999.db2.gz ATEFTGJEKPUKIC-FQEVSTJZSA-N 2 0 323.484 2.752 20 0 DFADRP C[C@@H](c1ccc(F)cc1F)[NH+]1CCC([C@@H]2OCC[C@H]2[NH3+])CC1 ZINC000420344383 296178052 /nfs/dbraw/zinc/17/80/52/296178052.db2.gz YAVDHDHSPAZZLB-JECHBYEQSA-N 2 0 310.388 2.854 20 0 DFADRP Cc1cc(C)cc(NC(=O)[C@@H](C)[NH+]2CCC3(CC[NH2+]C3)CC2)c1 ZINC000420342567 296177672 /nfs/dbraw/zinc/17/76/72/296177672.db2.gz RAYWABGSBYZEAA-MRXNPFEDSA-N 2 0 315.461 2.706 20 0 DFADRP C[C@@H](c1cccc(F)c1)N1CC[NH+](CCC2CC[NH2+]CC2)CC1 ZINC000420352998 296178827 /nfs/dbraw/zinc/17/88/27/296178827.db2.gz BDVHPBYCKCUASB-INIZCTEOSA-N 2 0 319.468 2.894 20 0 DFADRP FC(F)n1c2ccccc2nc1C[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000420347130 296178462 /nfs/dbraw/zinc/17/84/62/296178462.db2.gz XNZKXUPZZFJQAU-BETUJISGSA-N 2 0 320.387 2.863 20 0 DFADRP COc1ccc([C@H](C[NH3+])C[N@H+](C)C[C@H](C)c2nccs2)cc1 ZINC000420354740 296179125 /nfs/dbraw/zinc/17/91/25/296179125.db2.gz DFDRADMGTYDFBB-DZGCQCFKSA-N 2 0 319.474 2.930 20 0 DFADRP Cc1nocc1C[NH2+]Cc1ccc(OCCC[NH+](C)C)cc1 ZINC000293490116 223563592 /nfs/dbraw/zinc/56/35/92/223563592.db2.gz GMTVFRQPRMMQNN-UHFFFAOYSA-N 2 0 303.406 2.603 20 0 DFADRP C(CC1CC[NH+](CCC2CC[NH2+]CC2)CC1)C[NH+]1CCCC1 ZINC000420365060 296180746 /nfs/dbraw/zinc/18/07/46/296180746.db2.gz RSUHRRFTARTANL-UHFFFAOYSA-N 3 0 307.526 2.964 20 0 DFADRP CC[C@H](c1ccc(F)cc1)[N@@H+]1CCC[C@@H](n2cc(C[NH3+])nn2)C1 ZINC000420372323 296181936 /nfs/dbraw/zinc/18/19/36/296181936.db2.gz FCQXDBCJFNOWHD-IAGOWNOFSA-N 2 0 317.412 2.664 20 0 DFADRP Cc1ccc([C@H]([NH2+]CCN2CC[NH2+]CC2)c2ccccc2)cc1 ZINC000420371100 296182034 /nfs/dbraw/zinc/18/20/34/296182034.db2.gz KGSGWPVVAVUVFC-HXUWFJFHSA-N 2 0 309.457 2.579 20 0 DFADRP C[C@H](c1ccc(Cl)cc1)[N@@H+]1CCC[C@H](n2cc(C[NH3+])nn2)C1 ZINC000420388644 296184773 /nfs/dbraw/zinc/18/47/73/296184773.db2.gz XEVLPSPLCLUOKA-WBMJQRKESA-N 2 0 319.840 2.788 20 0 DFADRP C[C@@H](c1cccc(Cl)c1)[N@@H+]1CCC[C@H](n2cc(C[NH3+])nn2)C1 ZINC000420385694 296184419 /nfs/dbraw/zinc/18/44/19/296184419.db2.gz UEKKACCJSIYDRJ-LRDDRELGSA-N 2 0 319.840 2.788 20 0 DFADRP Cc1ccc(CC[NH+]2CCC([C@H]3OCCC[C@@H]3[NH3+])CC2)cc1 ZINC000420387451 296184509 /nfs/dbraw/zinc/18/45/09/296184509.db2.gz VVKFKGOBIRVFAS-RBUKOAKNSA-N 2 0 302.462 2.756 20 0 DFADRP [NH3+][C@@H]1CCO[C@@H](C2CC[NH+](CCSc3ccccc3)CC2)C1 ZINC000420396852 296185651 /nfs/dbraw/zinc/18/56/51/296185651.db2.gz WMYSSPUEHBQLBR-SJLPKXTDSA-N 2 0 320.502 2.997 20 0 DFADRP CN1CC[C@H]([NH2+]CC[C@H]2CCC[NH2+]C2)[C@H]1c1ccc(F)c(F)c1 ZINC000420397358 296185881 /nfs/dbraw/zinc/18/58/81/296185881.db2.gz FZMLPNREHDWTON-JEBQAFNWSA-N 2 0 323.431 2.689 20 0 DFADRP C[C@@H]1C[C@H]([NH2+]C[C@H](C(=O)OC(C)(C)C)C2CCC2)CC[N@@H+]1C ZINC000596118556 399179778 /nfs/dbraw/zinc/17/97/78/399179778.db2.gz ZXNRMHBDBYTJLE-BMFZPTHFSA-N 2 0 310.482 2.817 20 0 DFADRP COc1ccc([C@H](C[NH3+])C[NH2+][C@H](C)c2cncc(F)c2)cc1 ZINC000420403628 296186749 /nfs/dbraw/zinc/18/67/49/296186749.db2.gz LGQFNPFMVTUIGD-IUODEOHRSA-N 2 0 303.381 2.622 20 0 DFADRP C[C@@H]([NH2+]CCN1CC[NH2+]CC1)c1cccc(Cl)c1Cl ZINC000420410150 296187587 /nfs/dbraw/zinc/18/75/87/296187587.db2.gz RCZBMUCTHYLHJN-LLVKDONJSA-N 2 0 302.249 2.549 20 0 DFADRP CC[NH+]1CCN(CCC[NH2+][C@H](C)[C@@H]2C[C@H]2c2ccccc2)CC1 ZINC000282758639 217230291 /nfs/dbraw/zinc/23/02/91/217230291.db2.gz BIIIHQYFMQYDJA-HOJAQTOUSA-N 2 0 315.505 2.796 20 0 DFADRP CCOc1ccc(C[N@H+](C)CCN(C)C2CC[NH+](C)CC2)cc1 ZINC000271694852 209133776 /nfs/dbraw/zinc/13/37/76/209133776.db2.gz MLDUOPFNSCPUIR-UHFFFAOYSA-N 2 0 319.493 2.543 20 0 DFADRP CC[N@H+](C)C[C@@H]1CCN(C(=O)[C@H]2CCCC[NH+]2C2CCCC2)C1 ZINC000373013126 284345874 /nfs/dbraw/zinc/34/58/74/284345874.db2.gz HQSVBMCDQKYUMT-FUHWJXTLSA-N 2 0 321.509 2.584 20 0 DFADRP CC[NH+]1CCC([NH2+]Cc2ccc(C)cc2-c2cnn(C)c2)CC1 ZINC000282790020 217253532 /nfs/dbraw/zinc/25/35/32/217253532.db2.gz YMEIIHLZJIJNOV-UHFFFAOYSA-N 2 0 312.461 2.969 20 0 DFADRP C[C@@H](C(=O)N[C@@H]1CC[NH+](C2CCCCC2)C1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000618660375 399200328 /nfs/dbraw/zinc/20/03/28/399200328.db2.gz JMZMHYQAMXCHFN-VVLHAWIVSA-N 2 0 321.509 2.771 20 0 DFADRP CCC1CC([NH2+]Cc2ccccc2C[N@@H+]2CCC[C@H]2CO)C1 ZINC000342586783 284372122 /nfs/dbraw/zinc/37/21/22/284372122.db2.gz AXJFOJJNRPAVRQ-PPSBMQLTSA-N 2 0 302.462 2.922 20 0 DFADRP CC(C[NH+](C)CC[C@@H]1CCCO1)C[N@H+](C)CC[C@@H]1CCCO1 ZINC000342607939 284379265 /nfs/dbraw/zinc/37/92/65/284379265.db2.gz RXWBECQQXYLWGV-ROUUACIJSA-N 2 0 312.498 2.624 20 0 DFADRP CCC1CC([NH2+]Cc2ccc(C[NH+]3CCC(O)CC3)cc2)C1 ZINC000342707695 284393482 /nfs/dbraw/zinc/39/34/82/284393482.db2.gz JOIONQFQQNNWKE-UHFFFAOYSA-N 2 0 302.462 2.922 20 0 DFADRP C[N@@H+]1CC[C@H](C(=O)Nc2ccccc2-c2ncc3n2CCCC3)C1 ZINC000614353915 399215829 /nfs/dbraw/zinc/21/58/29/399215829.db2.gz PPTQEZXEFJQVAD-AWEZNQCLSA-N 2 0 324.428 2.777 20 0 DFADRP Cc1cc(CNC(=O)NC[C@H](C)[N@@H+]2CCCC[C@H]2C)cc(C)n1 ZINC000420789128 296202162 /nfs/dbraw/zinc/20/21/62/296202162.db2.gz DLCDEPDANZMBCB-CVEARBPZSA-N 2 0 318.465 2.761 20 0 DFADRP CC(C)[NH+]1CCC(C(=O)NCCCC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000081257285 399220174 /nfs/dbraw/zinc/22/01/74/399220174.db2.gz RGVVCNFOEPUVBF-KRWDZBQOSA-N 2 0 323.525 2.878 20 0 DFADRP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1[NH2+]C[C@H]1C[C@@H](O)C1 ZINC000420921722 296212555 /nfs/dbraw/zinc/21/25/55/296212555.db2.gz MHVUGBIVKKSJOZ-AHCXZYCDSA-N 2 0 302.462 2.504 20 0 DFADRP CCOC(=O)C1(C)CC([NH2+][C@@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)C1 ZINC000601275764 399268607 /nfs/dbraw/zinc/26/86/07/399268607.db2.gz DUKZQJWHBZPRDM-RXDZZFBJSA-N 2 0 322.493 2.961 20 0 DFADRP C[NH+](C)CCN1CCC([NH2+]Cc2cccc(C3CC3)c2)CC1 ZINC000421337524 296245574 /nfs/dbraw/zinc/24/55/74/296245574.db2.gz ZGUHSHSCBGKXAY-UHFFFAOYSA-N 2 0 301.478 2.680 20 0 DFADRP CC[NH+]1CCC(N2CCC[N@H+](Cc3occc3C)CC2)CC1 ZINC000421366676 296249033 /nfs/dbraw/zinc/24/90/33/296249033.db2.gz DBZOLKHLEBHPMW-UHFFFAOYSA-N 2 0 305.466 2.580 20 0 DFADRP CC[NH+](CC)Cc1cccc(NC(=O)[C@@H]([NH3+])CCSC)c1 ZINC000040463762 183072115 /nfs/dbraw/zinc/07/21/15/183072115.db2.gz QCXRZDSFAKXVNR-HNNXBMFYSA-N 2 0 309.479 2.547 20 0 DFADRP CC[C@H]([NH2+]Cc1ccc(OCC[NH+](C)C)cc1)[C@H]1CCOC1 ZINC000344587502 284653401 /nfs/dbraw/zinc/65/34/01/284653401.db2.gz IGPBAUHBQIUABM-WMZOPIPTSA-N 2 0 306.450 2.532 20 0 DFADRP C[N@@H+](Cc1cc(Br)cs1)CC1CC[NH2+]CC1 ZINC000042402352 183264306 /nfs/dbraw/zinc/26/43/06/183264306.db2.gz RLGFOGLMJSXGQE-UHFFFAOYSA-N 2 0 303.269 2.942 20 0 DFADRP CN(CCC[NH2+]Cc1cnc(C2CCCC2)s1)CC[NH+](C)C ZINC000623087900 399324763 /nfs/dbraw/zinc/32/47/63/399324763.db2.gz NURWNFUOBCCXAH-UHFFFAOYSA-N 2 0 324.538 2.774 20 0 DFADRP CN(CCC[NH2+]Cc1cscc1C(F)(F)F)CC[NH+](C)C ZINC000623087124 399324910 /nfs/dbraw/zinc/32/49/10/399324910.db2.gz ATZDHZUQBWLDJZ-UHFFFAOYSA-N 2 0 323.428 2.740 20 0 DFADRP CN(CCC[NH2+]Cc1ccccc1C(F)(F)F)CC[NH+](C)C ZINC000623088435 399325057 /nfs/dbraw/zinc/32/50/57/399325057.db2.gz LYBRJQASADLLES-UHFFFAOYSA-N 2 0 317.399 2.679 20 0 DFADRP CC[NH+](CC)Cc1ccc(C(=O)Nc2cnccc2OC)o1 ZINC000623136354 399328140 /nfs/dbraw/zinc/32/81/40/399328140.db2.gz SIDOPVCFSZJCTC-UHFFFAOYSA-N 2 0 303.362 2.777 20 0 DFADRP O[C@H](C[NH+]1CCC(C[NH+]2CCCC2)CC1)c1ccc(F)cc1F ZINC000051907768 425883558 /nfs/dbraw/zinc/88/35/58/425883558.db2.gz MLPWYDCFGYVQLV-GOSISDBHSA-N 2 0 324.415 2.806 20 0 DFADRP CCOC(=O)CCCCC[N@@H+]1CCC[C@@H](n2ccnc2C)C1 ZINC000609799356 399331897 /nfs/dbraw/zinc/33/18/97/399331897.db2.gz YQGYHMCWYAMWPZ-MRXNPFEDSA-N 2 0 307.438 2.952 20 0 DFADRP CC(C)[C@@H](C[NH2+][C@H](C)c1ccncc1Cl)N1CC[NH+](C)CC1 ZINC000421821347 296277082 /nfs/dbraw/zinc/27/70/82/296277082.db2.gz QZTOZLISZHETNE-RHSMWYFYSA-N 2 0 324.900 2.658 20 0 DFADRP COC1([C@H](C)[NH2+]C2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)CCCCC1 ZINC000421843062 296277151 /nfs/dbraw/zinc/27/71/51/296277151.db2.gz MDXCUVASGRPVFJ-CGTJXYLNSA-N 2 0 324.509 2.692 20 0 DFADRP Cn1nccc1[C@@H]1CCC[C@H]([NH2+]C2CCC([NH+](C)C)CC2)C1 ZINC000421879612 296278496 /nfs/dbraw/zinc/27/84/96/296278496.db2.gz PCDPPWRFORUDFA-GYXIZQIFSA-N 2 0 304.482 2.909 20 0 DFADRP OC1(CC[NH2+]C2CC[NH+](CCc3ccccc3)CC2)CCC1 ZINC000284516823 218061125 /nfs/dbraw/zinc/06/11/25/218061125.db2.gz YWDJYPUDSGNOQU-UHFFFAOYSA-N 2 0 302.462 2.588 20 0 DFADRP CCC[NH+](CCC)CCCC(=O)NC1CCC([NH+](C)C)CC1 ZINC000422009310 296290125 /nfs/dbraw/zinc/29/01/25/296290125.db2.gz QUEFAQCKNINCNA-UHFFFAOYSA-N 2 0 311.514 2.878 20 0 DFADRP C[N@@H+]1CC[C@H](NC[C@@H](c2ccco2)[NH+]2CCCC2)CC1(C)C ZINC000623336807 399365344 /nfs/dbraw/zinc/36/53/44/399365344.db2.gz GBZMXSQMQSJOOX-HOTGVXAUSA-N 2 0 305.466 2.879 20 0 DFADRP C[N@@H+]1CC[C@H]([NH2+]CCCN2CCc3ccccc32)CC1(C)C ZINC000623346777 399367987 /nfs/dbraw/zinc/36/79/87/399367987.db2.gz BXHLEJFVNHRZKR-KRWDZBQOSA-N 2 0 301.478 2.902 20 0 DFADRP C[NH+](C)[C@H](CN[C@@H]1CC[N@H+](C)C(C)(C)C1)c1ccc(F)cc1 ZINC000623363186 399372639 /nfs/dbraw/zinc/37/26/39/399372639.db2.gz FBEAKYVIFVHKHT-IAGOWNOFSA-N 2 0 307.457 2.891 20 0 DFADRP CC(C)[N@@H+]1CC[C@H](CNCc2ccc(F)c(F)c2N(C)C)C1 ZINC000623384132 399377190 /nfs/dbraw/zinc/37/71/90/399377190.db2.gz PWOPMXLURGXVOO-CYBMUJFWSA-N 2 0 311.420 2.851 20 0 DFADRP CC(C)[C@H](C(=O)NC[C@H](c1ccco1)[NH+]1CCCCC1)[NH+](C)C ZINC000106426125 194211475 /nfs/dbraw/zinc/21/14/75/194211475.db2.gz LJRXGYRWQSHVKF-NVXWUHKLSA-N 2 0 321.465 2.509 20 0 DFADRP CC(C)[C@@H](C(=O)NC[C@H](c1ccco1)[NH+]1CCCCC1)[NH+](C)C ZINC000106426124 194211753 /nfs/dbraw/zinc/21/17/53/194211753.db2.gz LJRXGYRWQSHVKF-WBVHZDCISA-N 2 0 321.465 2.509 20 0 DFADRP C[N@@H+]1CC[C@H]([NH2+]CCCN(C(=O)C2CCC2)C2CC2)CC1(C)C ZINC000623410932 399382936 /nfs/dbraw/zinc/38/29/36/399382936.db2.gz MKACKZMJGLFOPW-INIZCTEOSA-N 2 0 321.509 2.630 20 0 DFADRP C[N@@H+]1CC[C@@H]([NH2+][C@H](CO)Cc2c[nH]c3ccccc23)CC1(C)C ZINC000623421715 399385918 /nfs/dbraw/zinc/38/59/18/399385918.db2.gz XLCIKELKUYKJRR-CVEARBPZSA-N 2 0 315.461 2.534 20 0 DFADRP CCN(CC)CC[NH2+][C@@H](C)c1cccc(OCC[NH+](C)C)c1 ZINC000268710198 206915997 /nfs/dbraw/zinc/91/59/97/206915997.db2.gz JXAQUJFICIVBID-INIZCTEOSA-N 2 0 307.482 2.619 20 0 DFADRP CCCC[N@H+](C)CC1CC[NH+](C[C@H](O)COC(C)(C)C)CC1 ZINC000052209217 183853671 /nfs/dbraw/zinc/85/36/71/183853671.db2.gz VCBLGOQZEPPEJJ-KRWDZBQOSA-N 2 0 314.514 2.606 20 0 DFADRP CCOc1cc(C[N@@H+]2C[C@H](C[NH3+])[C@H](C)C[C@H]2C)ccc1OC ZINC000422559459 296312370 /nfs/dbraw/zinc/31/23/70/296312370.db2.gz DBWFFTIUZRXCDG-FMKPAKJESA-N 2 0 306.450 2.899 20 0 DFADRP COCCOc1cccc(C[N@@H+]2C[C@H](C[NH3+])[C@H](C)C[C@H]2C)c1 ZINC000422560473 296312643 /nfs/dbraw/zinc/31/26/43/296312643.db2.gz GWSBQAVZTIRJTN-INMHGKMJSA-N 2 0 306.450 2.517 20 0 DFADRP Cc1c(F)cccc1NC(=O)CC[N@@H+]1C[C@H](C[NH3+])[C@H](C)C[C@H]1C ZINC000422640029 296317106 /nfs/dbraw/zinc/31/71/06/296317106.db2.gz UNYNRRNFOUTDJM-NFAWXSAZSA-N 2 0 321.440 2.768 20 0 DFADRP COc1ccc(CC[NH2+][C@@H](C)c2ccc(C[NH3+])nc2C)cc1F ZINC000422702060 296318380 /nfs/dbraw/zinc/31/83/80/296318380.db2.gz CZGFABVUPZYWMP-LBPRGKRZSA-N 2 0 317.408 2.890 20 0 DFADRP CCOC(=O)C1([C@H](C)[NH2+]Cc2ccc(C)cc2C)CC[NH2+]CC1 ZINC000422692613 296317931 /nfs/dbraw/zinc/31/79/31/296317931.db2.gz KLUGKZDKSMPAKB-INIZCTEOSA-N 2 0 318.461 2.714 20 0 DFADRP Cc1cccc2oc(CC[NH2+][C@@H]3C[C@H](C)[N@@H+](C)C[C@@H]3C)nc21 ZINC000268916855 207084007 /nfs/dbraw/zinc/08/40/07/207084007.db2.gz JEAFCGQNSAVOQN-SOUVJXGZSA-N 2 0 301.434 2.997 20 0 DFADRP C[C@H]([NH3+])[C@H]1COCC[C@H]1[NH2+]CC1(c2ccc(Cl)cc2)CC1 ZINC000422705983 296319110 /nfs/dbraw/zinc/31/91/10/296319110.db2.gz SLWNOVZPKCOMIC-APHBMKBZSA-N 2 0 308.853 2.714 20 0 DFADRP C[C@@H]([NH2+]CCc1cc(Br)ccc1F)[C@@H]1CC[NH2+]C1 ZINC000422709953 296319714 /nfs/dbraw/zinc/31/97/14/296319714.db2.gz ZZSHXKIGBUAWDW-ZYHUDNBSSA-N 2 0 315.230 2.718 20 0 DFADRP C[C@H](CCCC[NH3+])[NH2+][C@H](C)c1cccc(N2CCCC2=O)c1 ZINC000422709072 296319394 /nfs/dbraw/zinc/31/93/94/296319394.db2.gz YPNVVKDRNXTAHP-HUUCEWRRSA-N 2 0 303.450 2.982 20 0 DFADRP CCCC[N@H+](C)CCN[C@@H](c1ccc(OC)cc1)[C@H]1CCC[NH2+]1 ZINC000422706639 296319477 /nfs/dbraw/zinc/31/94/77/296319477.db2.gz FQLMHVWFMVQQEK-MOPGFXCFSA-N 2 0 319.493 2.810 20 0 DFADRP C[C@@H](C(=O)NC1CCC(C)CC1)[NH+]1CCC(CC[NH+](C)C)CC1 ZINC000056522630 184014982 /nfs/dbraw/zinc/01/49/82/184014982.db2.gz YCBFWIHSNLBXRC-PQUAAJSLSA-N 2 0 323.525 2.734 20 0 DFADRP C[C@H](C(=O)NCC1CCCCC1)[NH+]1CCC(CC[NH+](C)C)CC1 ZINC000056522768 184015262 /nfs/dbraw/zinc/01/52/62/184015262.db2.gz HUKROEZRGUGGNW-MRXNPFEDSA-N 2 0 323.525 2.735 20 0 DFADRP [NH3+]C1CCC([NH2+]Cc2ccc(NC(=O)c3ccco3)cc2)CC1 ZINC000422712241 296320360 /nfs/dbraw/zinc/32/03/60/296320360.db2.gz IBUMPIHFJBBUHJ-UHFFFAOYSA-N 2 0 313.401 2.891 20 0 DFADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]C[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000422714604 296320467 /nfs/dbraw/zinc/32/04/67/296320467.db2.gz LFXUVNXCJZVJFC-RLLQIKCJSA-N 3 0 315.505 2.529 20 0 DFADRP OC[C@@H]1CCC[N@@H+]1CCCC[NH2+][C@@H]1CCc2c1cccc2F ZINC000268945610 207110615 /nfs/dbraw/zinc/11/06/15/207110615.db2.gz UFJCFLJSJMUZNQ-KBXCAEBGSA-N 2 0 306.425 2.640 20 0 DFADRP C[C@H](C[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1)N1CCc2ccccc21 ZINC000422712918 296320039 /nfs/dbraw/zinc/32/00/39/296320039.db2.gz IXSWWVUTXAQXJO-NXWXRZEISA-N 2 0 313.489 2.948 20 0 DFADRP Cc1cc(CN[C@H]2CC[N@@H+](C)C(C)(C)C2)cc(N2CCCC2)n1 ZINC000623527992 399409149 /nfs/dbraw/zinc/40/91/49/399409149.db2.gz SIEVRLCQUGKNAS-KRWDZBQOSA-N 2 0 316.493 2.953 20 0 DFADRP CC(C)CC(=O)Nc1cccc(C[NH2+][C@H]2CCC[C@@H]2C[NH3+])c1 ZINC000422723737 296321583 /nfs/dbraw/zinc/32/15/83/296321583.db2.gz SGKMYGHWPYFQHL-WBVHZDCISA-N 2 0 303.450 2.888 20 0 DFADRP C[N@@H+]1CC[C@H](N[C@H]2c3sccc3OC(C)(C)[C@@H]2O)CC1(C)C ZINC000623547052 399413058 /nfs/dbraw/zinc/41/30/58/399413058.db2.gz FTXFIPQPUXKLCD-CORIIIEPSA-N 2 0 324.490 2.784 20 0 DFADRP C[C@@H]([NH3+])C[C@@H](C)[NH2+]Cc1ccc(NC(=O)c2ccco2)cc1 ZINC000422721408 296321362 /nfs/dbraw/zinc/32/13/62/296321362.db2.gz VILGKSSGNZKBED-CHWSQXEVSA-N 2 0 301.390 2.747 20 0 DFADRP C[C@H](C[C@H](C)[NH3+])[NH2+]Cc1ccc(NC(=O)c2ccco2)cc1 ZINC000422721410 296321474 /nfs/dbraw/zinc/32/14/74/296321474.db2.gz VILGKSSGNZKBED-QWHCGFSZSA-N 2 0 301.390 2.747 20 0 DFADRP C[C@@H]([NH2+]CC1CC[NH+](C2CCOCC2)CC1)[C@@H]1C[C@H]1C1CC1 ZINC000623562610 399416904 /nfs/dbraw/zinc/41/69/04/399416904.db2.gz WUKXSZGTMSSNPF-CCKFTAQKSA-N 2 0 306.494 2.902 20 0 DFADRP [NH3+][C@@H]1CCCCC[C@H]1NC1CC[NH+](Cc2ccccc2)CC1 ZINC000422726151 296322097 /nfs/dbraw/zinc/32/20/97/296322097.db2.gz DGHHXZPXSVTBHB-RTBURBONSA-N 2 0 301.478 2.901 20 0 DFADRP CN(C)C(=O)C1(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)CCCC1 ZINC000422728000 296322558 /nfs/dbraw/zinc/32/25/58/296322558.db2.gz INXFHZSIWIUFQS-BRWVUGGUSA-N 2 0 321.509 2.535 20 0 DFADRP CC[NH+](CC)[C@@H](CNC1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccccc1 ZINC000422729062 296322717 /nfs/dbraw/zinc/32/27/17/296322717.db2.gz HIQMYKBDGKTKEI-SWDXFRIISA-N 2 0 301.478 2.942 20 0 DFADRP CC[C@@H](C)[C@](C)(O)C[NH2+]Cc1ccc(OCC[NH+](C)C)cc1 ZINC000602288428 399419514 /nfs/dbraw/zinc/41/95/14/399419514.db2.gz YIZGSVBZHUSEAE-CRAIPNDOSA-N 2 0 308.466 2.514 20 0 DFADRP C[C@H]([NH2+]CCCC[NH+](C)C)c1ccc(N2CCOC2=O)cc1 ZINC000268997236 207154433 /nfs/dbraw/zinc/15/44/33/207154433.db2.gz KXCQVFRYIXEMCG-AWEZNQCLSA-N 2 0 305.422 2.636 20 0 DFADRP CCOC(=O)CCC1CC[NH+](CC[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000610997834 399426955 /nfs/dbraw/zinc/42/69/55/399426955.db2.gz KBEUVUNRXZBOHS-KRWDZBQOSA-N 2 0 310.482 2.916 20 0 DFADRP C[C@H](C[NH2+]CCCN1CCC[C@H]1C(N)=O)CC1CCCCC1 ZINC000623619092 399428558 /nfs/dbraw/zinc/42/85/58/399428558.db2.gz RMKVOPGAWLICGE-RDJZCZTQSA-N 2 0 309.498 2.522 20 0 DFADRP C[C@H](CC[NH+](C)C)[NH2+][C@@H](C)c1ccc(OCC[NH+](C)C)cc1 ZINC000269012515 207164434 /nfs/dbraw/zinc/16/44/34/207164434.db2.gz NTUHRLLWBFDWLS-CVEARBPZSA-N 3 0 307.482 2.618 20 0 DFADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@H](C[C@@H](C)O)c2ccccc2)[C@H](C)C1 ZINC000269021724 207174115 /nfs/dbraw/zinc/17/41/15/207174115.db2.gz QDBOIBFUTJFNKQ-FPAYPSAMSA-N 2 0 304.478 2.861 20 0 DFADRP COc1cc([C@H](C)[NH2+]CCCC[NH+](C)C)cc(OC)c1OC ZINC000269048747 207198792 /nfs/dbraw/zinc/19/87/92/207198792.db2.gz VLJMPGJDWVGENC-ZDUSSCGKSA-N 2 0 310.438 2.705 20 0 DFADRP Cc1ccc(-c2nn(C)cc2C[NH2+]C[C@@H]2CCCC[N@H+](C)C2)o1 ZINC000623656821 399437058 /nfs/dbraw/zinc/43/70/58/399437058.db2.gz CPHAVEWISYNDTF-HNNXBMFYSA-N 2 0 316.449 2.810 20 0 DFADRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@H](C)c1ccc2c(c1)COC2 ZINC000269042859 207192316 /nfs/dbraw/zinc/19/23/16/207192316.db2.gz GZIOHKLHSKEHEJ-RDTXWAMCSA-N 2 0 306.450 2.724 20 0 DFADRP C[C@H]([NH2+]CC1(O)CC[NH+](C)CC1)c1cccc(C(F)(F)F)c1 ZINC000269074101 207222028 /nfs/dbraw/zinc/22/20/28/207222028.db2.gz XZDRNTYQWUPBOX-LBPRGKRZSA-N 2 0 316.367 2.813 20 0 DFADRP O=c1[nH]cccc1CNC1CC[NH+](CCc2ccccc2)CC1 ZINC000623777907 399463854 /nfs/dbraw/zinc/46/38/54/399463854.db2.gz WNHDRGPVBSCIBQ-UHFFFAOYSA-N 2 0 311.429 2.584 20 0 DFADRP CCOC(=O)c1ccc(C[NH2+]CCCC[N@@H+]2CCC[C@@H](C)C2)[nH]1 ZINC000602513261 399465021 /nfs/dbraw/zinc/46/50/21/399465021.db2.gz FJOJKIAVLPIMFQ-OAHLLOKOSA-N 2 0 321.465 2.793 20 0 DFADRP C[N@@H+]1CCC[C@H]1CCN1CCC[NH+](Cc2ccccc2)CC1 ZINC000269138194 207267204 /nfs/dbraw/zinc/26/72/04/207267204.db2.gz XKFFKVKODPENBM-IBGZPJMESA-N 2 0 301.478 2.679 20 0 DFADRP CCC[NH+](CCC)CCCC(=O)NC[C@H]([NH3+])c1ccccc1 ZINC000269176072 207296485 /nfs/dbraw/zinc/29/64/85/207296485.db2.gz MOTIDLPORJEPPG-KRWDZBQOSA-N 2 0 305.466 2.705 20 0 DFADRP CCC[N@H+](CC)Cc1ccc(C(=O)N(C)CC(C)(C)C[NH3+])cc1 ZINC000269186160 207305206 /nfs/dbraw/zinc/30/52/06/207305206.db2.gz FNEZEMRGQYLBMJ-UHFFFAOYSA-N 2 0 319.493 2.975 20 0 DFADRP C[C@@H](NC[C@@H]1CCC[N@@H+]1Cc1ccccc1)[C@H]1CCCC[NH2+]1 ZINC000422734372 296323567 /nfs/dbraw/zinc/32/35/67/296323567.db2.gz CQNYNUHPGGPHCA-NZSAHSFTSA-N 2 0 301.478 2.771 20 0 DFADRP C[C@H](c1ccccc1)N1CC[C@H]([NH2+][C@H]2CC[NH2+]CC[C@H]2C)C1 ZINC000422738366 296324128 /nfs/dbraw/zinc/32/41/28/296324128.db2.gz JOUZQFDAHHQXDH-FPAYPSAMSA-N 2 0 301.478 2.800 20 0 DFADRP CN(C)[C@@H](C[NH2+]C1CCC(C[NH3+])CC1)c1c(F)cccc1F ZINC000422739563 296324334 /nfs/dbraw/zinc/32/43/34/296324334.db2.gz ABDQKHCRQINWBZ-ZUEPYMLJSA-N 2 0 311.420 2.675 20 0 DFADRP CC(C)[C@@H]([NH3+])C(=O)Nc1ccc(C[N@@H+]2CCCC[C@H]2C)cc1 ZINC000269223770 207342743 /nfs/dbraw/zinc/34/27/43/207342743.db2.gz CAINUYZNYVHDNX-RHSMWYFYSA-N 2 0 303.450 2.983 20 0 DFADRP CC1CC[NH+]([C@H](CN[C@@H]2CCC[C@H]2[NH3+])c2cccs2)CC1 ZINC000422743371 296324794 /nfs/dbraw/zinc/32/47/94/296324794.db2.gz IJOFUHQWEGIMJH-BZUAXINKSA-N 2 0 307.507 2.991 20 0 DFADRP CN(C)[C@H](C[NH2+][C@@H]1CCCC[C@H]1C[NH3+])c1c(F)cccc1F ZINC000422742401 296324839 /nfs/dbraw/zinc/32/48/39/296324839.db2.gz GGGNDRYZWCULLK-APHBMKBZSA-N 2 0 311.420 2.675 20 0 DFADRP CC[C@H](N[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1)[C@@H]1CCC[NH2+]1 ZINC000422745662 296325293 /nfs/dbraw/zinc/32/52/93/296325293.db2.gz VKMFMCAWJTWHQW-YSHGAJCASA-N 2 0 301.478 2.942 20 0 DFADRP C[C@H]([NH3+])[C@@H](Cc1ccccc1)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000422753588 296326809 /nfs/dbraw/zinc/32/68/09/296326809.db2.gz IRSUIOXNDIKSJZ-DBVUQKKJSA-N 2 0 311.473 2.837 20 0 DFADRP COc1cccc([C@H](CN[C@H]2CCC[C@@H]2C[NH3+])[NH+]2CCCC2)c1 ZINC000422751077 296326553 /nfs/dbraw/zinc/32/65/53/296326553.db2.gz CCHKZRXMGJJIRR-NEWSRXKRSA-N 2 0 317.477 2.549 20 0 DFADRP C[C@H]([NH3+])[C@H]1COCC[C@@H]1[NH2+]Cc1cccc(C(F)(F)F)c1 ZINC000422751766 296326570 /nfs/dbraw/zinc/32/65/70/296326570.db2.gz CWRLEDOUXGMOSO-GDLCADMTSA-N 2 0 302.340 2.547 20 0 DFADRP CCOC(=O)C1([C@@H](C)[NH2+][C@H](C)c2cccs2)CC[NH2+]CC1 ZINC000422751378 296326572 /nfs/dbraw/zinc/32/65/72/296326572.db2.gz CMRGOEQZSQGTRX-CHWSQXEVSA-N 2 0 310.463 2.720 20 0 DFADRP CC[NH+]1CCC(N[C@@H](c2ccc(OC)cc2)[C@H]2CCC[NH2+]2)CC1 ZINC000422754233 296327223 /nfs/dbraw/zinc/32/72/23/296327223.db2.gz AIPLMNXPECJOSC-MOPGFXCFSA-N 2 0 317.477 2.562 20 0 DFADRP CC[C@H]([NH2+]CC1(c2ccc(F)cc2)CCOCC1)[C@@H]1CCC[NH2+]1 ZINC000422755749 296327370 /nfs/dbraw/zinc/32/73/70/296327370.db2.gz GWSJZCNQDFOTKX-ROUUACIJSA-N 2 0 320.452 2.994 20 0 DFADRP Cc1nc(C[NH3+])ccc1[C@@H](C)NCCC[N@@H+]1CCCC[C@@H]1C ZINC000422756842 296327796 /nfs/dbraw/zinc/32/77/96/296327796.db2.gz CMGAEQGCBIRUQN-LSDHHAIUSA-N 2 0 304.482 2.764 20 0 DFADRP Cc1ccc(SCC[NH2+][C@@H]2CCOC[C@H]2[C@@H]2CCC[NH2+]2)cc1 ZINC000422757428 296327815 /nfs/dbraw/zinc/32/78/15/296327815.db2.gz CXPMJBCNPHFYOP-OKZBNKHCSA-N 2 0 320.502 2.834 20 0 DFADRP CC(C)(C[NH2+][C@@H]1CCOC[C@@H]1[C@H]1CCC[NH2+]1)c1cccc(F)c1 ZINC000422756676 296327869 /nfs/dbraw/zinc/32/78/69/296327869.db2.gz HVQAUGSHTDECFX-KZNAEPCWSA-N 2 0 320.452 2.850 20 0 DFADRP C[C@@H]([NH2+]C1(CN[C@@H](C)C[C@H](C)[NH3+])CCOCC1)c1ccccc1 ZINC000422761744 296328435 /nfs/dbraw/zinc/32/84/35/296328435.db2.gz METNSPOGJHGCKR-YESZJQIVSA-N 2 0 319.493 2.602 20 0 DFADRP COc1ccc([C@@H](CN[C@@H](C)[C@@H]2CCC[NH2+]2)[NH+]2CCCC2)cc1 ZINC000422760939 296328474 /nfs/dbraw/zinc/32/84/74/296328474.db2.gz QPVOQDTUGKYOIJ-ZYSHUDEJSA-N 2 0 317.477 2.562 20 0 DFADRP CC(C)(C)[C@@H]1OCCC[C@@H]1C[NH2+][C@@H]1CCOC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000422760484 296328480 /nfs/dbraw/zinc/32/84/80/296328480.db2.gz LWANFXKHWSUXLB-DISONHOPSA-N 2 0 324.509 2.574 20 0 DFADRP CC(C)(C)[C@@H]1OCCC[C@@H]1C[NH2+][C@@H]1CCOC[C@H]1[C@H]1CCC[NH2+]1 ZINC000422760480 296328501 /nfs/dbraw/zinc/32/85/01/296328501.db2.gz LWANFXKHWSUXLB-CWQOZTLDSA-N 2 0 324.509 2.574 20 0 DFADRP Cc1cccc(N2CCC([NH2+][C@H]3CCCCC[C@H]3[NH3+])CC2)n1 ZINC000422765715 296329673 /nfs/dbraw/zinc/32/96/73/296329673.db2.gz RCGGGWAVXRJVHQ-SJORKVTESA-N 2 0 302.466 2.608 20 0 DFADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]CCN1c2ccccc2C[C@@H]1C ZINC000422764406 296329147 /nfs/dbraw/zinc/32/91/47/296329147.db2.gz OLWQHUQUPIJSLF-GJZGRUSLSA-N 2 0 324.472 2.951 20 0 DFADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+][C@H](C)CN1CCC[C@H](C)C1 ZINC000422764488 296329186 /nfs/dbraw/zinc/32/91/86/296329186.db2.gz PSWZFVHZYONDME-ZNMIVQPWSA-N 2 0 304.482 2.620 20 0 DFADRP Cc1cc(F)ccc1N1CCC[C@@H]([NH2+]C2CCC([NH3+])CC2)C1 ZINC000422763778 296329416 /nfs/dbraw/zinc/32/94/16/296329416.db2.gz PGZWOVIBPBLKNK-OFLPRAFFSA-N 2 0 305.441 2.962 20 0 DFADRP c1ccc(SCC[NH2+][C@@H]2CCOC[C@@H]2[C@H]2CCC[NH2+]2)cc1 ZINC000422768543 296329897 /nfs/dbraw/zinc/32/98/97/296329897.db2.gz NZZVFJUCHAWJAP-BRWVUGGUSA-N 2 0 306.475 2.525 20 0 DFADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CCCN(c2cccc(F)c2)C1 ZINC000422770810 296330308 /nfs/dbraw/zinc/33/03/08/296330308.db2.gz XHUHAEGOKBSHHL-LESCRADOSA-N 2 0 305.441 2.902 20 0 DFADRP Cc1ccc(CSCC[NH2+][C@@H]2CCOC[C@H]2[C@H](C)[NH3+])cc1 ZINC000422774096 296330989 /nfs/dbraw/zinc/33/09/89/296330989.db2.gz VMOLRXDPJNQFJM-BHYGNILZSA-N 2 0 308.491 2.570 20 0 DFADRP [NH3+][C@@H]1CCC[C@H]1[NH2+]CC1(c2ccccc2Br)CC1 ZINC000422781424 296331900 /nfs/dbraw/zinc/33/19/00/296331900.db2.gz KMSQFAOSTHNBSV-ZIAGYGMSSA-N 2 0 309.251 2.950 20 0 DFADRP C[C@H](CCCC[NH3+])[NH2+][C@@H]1CCCN(c2ccccc2Cl)C1=O ZINC000422777612 296331406 /nfs/dbraw/zinc/33/14/06/296331406.db2.gz FVIHQVVUGQKUNF-UKRRQHHQSA-N 2 0 323.868 2.943 20 0 DFADRP COc1ccccc1O[C@H](C)C[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000422778203 296331528 /nfs/dbraw/zinc/33/15/28/296331528.db2.gz ALHYJSJXGOJKHG-LTIDMASMSA-N 2 0 318.461 2.973 20 0 DFADRP Cc1nc2ccccc2n1CC[NH2+][C@H](Cc1ccccc1)[C@H](C)[NH3+] ZINC000422782650 296331971 /nfs/dbraw/zinc/33/19/71/296331971.db2.gz JWMPTAYWXVIJNA-HNAYVOBHSA-N 2 0 322.456 2.893 20 0 DFADRP C[C@@H](CCC[NH3+])[NH2+][C@@H]1CCCN(c2ccccc2Cl)C1=O ZINC000422783604 296332170 /nfs/dbraw/zinc/33/21/70/296332170.db2.gz OMGGGBIAKYAYLS-GXTWGEPZSA-N 2 0 309.841 2.552 20 0 DFADRP CCC[NH+]1CCC(N[C@H]2CC[NH2+][C@H](c3ccccc3)C2)CC1 ZINC000422784257 296332302 /nfs/dbraw/zinc/33/23/02/296332302.db2.gz NVNOVFSUUGCGEB-OALUTQOASA-N 2 0 301.478 2.944 20 0 DFADRP CC[C@@H](NCC1([NH+](C)C)Cc2ccccc2C1)[C@H]1CCCC[NH2+]1 ZINC000422786370 296332569 /nfs/dbraw/zinc/33/25/69/296332569.db2.gz QHDPXVYCJGZAOY-RTBURBONSA-N 2 0 315.505 2.596 20 0 DFADRP CC[NH+]1CCC(CC[NH2+][C@@H](Cc2ccccc2)[C@@H](C)[NH3+])CC1 ZINC000422786029 296332671 /nfs/dbraw/zinc/33/26/71/296332671.db2.gz NZVZSIFBEQAMIF-APWZRJJASA-N 3 0 303.494 2.657 20 0 DFADRP CC[C@H](NCc1ccc(C[NH+]2CCCC2)cc1)[C@@H]1CCC[NH2+]1 ZINC000422789281 296332908 /nfs/dbraw/zinc/33/29/08/296332908.db2.gz RZVYVVHBZPNSEY-OALUTQOASA-N 2 0 301.478 2.903 20 0 DFADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]CCNc1ncc(Cl)cc1Cl ZINC000422789593 296333328 /nfs/dbraw/zinc/33/33/28/296333328.db2.gz UKCVWBVERNZZCE-GWCFXTLKSA-N 2 0 317.264 2.907 20 0 DFADRP CCOC(=O)C1([C@H](C)[NH2+][C@H]2CCC[C@H](CC)C2)CC[NH2+]CC1 ZINC000422791608 296333695 /nfs/dbraw/zinc/33/36/95/296333695.db2.gz WHGGJTILGMRDPO-JYJNAYRXSA-N 2 0 310.482 2.866 20 0 DFADRP [NH3+][C@@H]1CCC[C@@H]1NC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000422794212 296333987 /nfs/dbraw/zinc/33/39/87/296333987.db2.gz YLHLCEMWNWWYOH-SJORKVTESA-N 2 0 307.869 2.774 20 0 DFADRP C[C@H](CCC[NH3+])[NH2+]C[C@@H](C)Oc1cccc(Br)c1 ZINC000422795264 296334056 /nfs/dbraw/zinc/33/40/56/296334056.db2.gz HFVJWYJUYIKVTB-VXGBXAGGSA-N 2 0 315.255 2.933 20 0 DFADRP COC[C@@H](CCC[NH3+])[NH2+][C@H](C)c1ccc(OC(F)F)cc1 ZINC000422801849 296335584 /nfs/dbraw/zinc/33/55/84/296335584.db2.gz GHQVCSRAQHUISX-DGCLKSJQSA-N 2 0 302.365 2.693 20 0 DFADRP CC(C)c1ccc([C@H]([NH3+])CNC(=O)[C@H](C(C)C)[C@@H](C)[NH3+])cc1 ZINC000422797533 296334824 /nfs/dbraw/zinc/33/48/24/296334824.db2.gz NDQHYZKXPWTIMG-KBRIMQKVSA-N 2 0 305.466 2.545 20 0 DFADRP C(C1CCCC1)[N@@H+]1CC[C@H](N[C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)C1 ZINC000422798942 296335194 /nfs/dbraw/zinc/33/51/94/296335194.db2.gz UIXDGXVCTWYQLP-INDMIFKZSA-N 2 0 305.510 2.761 20 0 DFADRP CC(C)c1ccc([C@@H]([NH3+])CNC(=O)C[NH+]2CCC(C)CC2)cc1 ZINC000422799700 296335238 /nfs/dbraw/zinc/33/52/38/296335238.db2.gz YCWKBRCTQQUOOI-SFHVURJKSA-N 2 0 317.477 2.658 20 0 DFADRP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]CCc1nc(C(F)(F)F)cs1 ZINC000422801918 296335429 /nfs/dbraw/zinc/33/54/29/296335429.db2.gz COSYQMMXOFYKDR-VHSXEESVSA-N 2 0 307.385 2.812 20 0 DFADRP CC[C@@H](NCCC[N@@H+]1CCc2ccccc2C1)[C@@H]1CCC[NH2+]1 ZINC000422804610 296336464 /nfs/dbraw/zinc/33/64/64/296336464.db2.gz HTHJFFILEWENJB-MOPGFXCFSA-N 2 0 301.478 2.555 20 0 DFADRP COC[C@H](CCC[NH3+])[NH2+][C@H]1CCCO[C@H]1c1ccc(C)cc1 ZINC000422803055 296335827 /nfs/dbraw/zinc/33/58/27/296335827.db2.gz CIEWWGLBFGWAMP-BZSNNMDCSA-N 2 0 306.450 2.559 20 0 DFADRP COc1ccc(C[NH2+][C@H]2CC[NH2+]CC[C@H]2C)cc1OC(F)F ZINC000422803610 296335902 /nfs/dbraw/zinc/33/59/02/296335902.db2.gz CZRQANBHQIVUAY-YPMHNXCESA-N 2 0 314.376 2.774 20 0 DFADRP CC[C@H](C[NH2+][C@@H]1CCC[NH2+]CC1)N1CCc2ccccc2C1 ZINC000422805821 296336168 /nfs/dbraw/zinc/33/61/68/296336168.db2.gz JQUSAWRZWHSDMF-RTBURBONSA-N 2 0 301.478 2.555 20 0 DFADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]Cc1cccc(C[NH+]2CCCC2)c1 ZINC000422804956 296336253 /nfs/dbraw/zinc/33/62/53/296336253.db2.gz IOLFSMTWIQUYHH-APWZRJJASA-N 3 0 301.478 2.760 20 0 DFADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+][C@H]1CCCC[C@H]1n1cccn1 ZINC000422809388 296337021 /nfs/dbraw/zinc/33/70/21/296337021.db2.gz MFHOCZSVCRXOAZ-JCGIZDLHSA-N 2 0 313.449 2.880 20 0 DFADRP CC(C)(C[NH2+][C@@H]1CCCCC[C@H]1[NH3+])c1ccc2c(c1)OCCO2 ZINC000422819822 296339202 /nfs/dbraw/zinc/33/92/02/296339202.db2.gz IYTPTQNYVMTXKK-HZPDHXFCSA-N 2 0 318.461 2.985 20 0 DFADRP c1ncn2c1c(N1CC[NH+](C3CCC3)CC1)nc1ccccc12 ZINC000623970496 399506859 /nfs/dbraw/zinc/50/68/59/399506859.db2.gz QASQESJTLDEXMI-UHFFFAOYSA-N 2 0 307.401 2.557 20 0 DFADRP CCC[N@H+](CC)CCN[C@H](c1ccc(OC)cc1)[C@@H]1CCC[NH2+]1 ZINC000422816889 296338647 /nfs/dbraw/zinc/33/86/47/296338647.db2.gz BPASBJLEQWZPEJ-RBUKOAKNSA-N 2 0 319.493 2.810 20 0 DFADRP C[NH+](C)[C@]1(CN[C@@H]2CC[NH2+][C@H](c3ccccc3)C2)CCSC1 ZINC000422817834 296338695 /nfs/dbraw/zinc/33/86/95/296338695.db2.gz DXDIPCFKYYKWSU-SQNIBIBYSA-N 2 0 319.518 2.507 20 0 DFADRP c1cn(Cc2cccc(C[NH2+][C@@H]3CCC[C@@H]3[C@@H]3CCC[NH2+]3)c2)cn1 ZINC000422824729 296339804 /nfs/dbraw/zinc/33/98/04/296339804.db2.gz HYVSVFVWKMAPHU-HSALFYBXSA-N 2 0 324.472 2.942 20 0 DFADRP FC(F)(F)[C@@H]1CCC[C@H]([NH2+][C@@H]2CCOC[C@@H]2[C@H]2CCC[NH2+]2)C1 ZINC000422821721 296339396 /nfs/dbraw/zinc/33/93/96/296339396.db2.gz YAKYKTXQMJMELB-XLWJZTARSA-N 2 0 320.399 2.854 20 0 DFADRP C[C@@H]1C[N@H+](Cc2ccccc2)CCCN1C[C@H]1CCC[NH2+]C1 ZINC000347000709 285000961 /nfs/dbraw/zinc/00/09/61/285000961.db2.gz ZUWWIKSEKGRWBL-MJGOQNOKSA-N 2 0 301.478 2.582 20 0 DFADRP C[C@H]1CCNC[C@H]1[NH2+]CC1CC[NH+](Cc2cccs2)CC1 ZINC000422830740 296340998 /nfs/dbraw/zinc/34/09/98/296340998.db2.gz RQCUNFISHOJWNG-WMLDXEAASA-N 2 0 307.507 2.548 20 0 DFADRP CC(C)[C@H](C[NH2+][C@@H]1CCOC[C@H]1[C@@H]1CCC[NH2+]1)c1cccnc1 ZINC000422830960 296341073 /nfs/dbraw/zinc/34/10/73/296341073.db2.gz JDBUACWKZDWAHX-CADBVGFASA-N 2 0 317.477 2.568 20 0 DFADRP CC[NH2+]CC1CC[NH+](Cc2c[nH]nc2-c2cccs2)CC1 ZINC000347012287 285001937 /nfs/dbraw/zinc/00/19/37/285001937.db2.gz HEOUHZLNJUHUCU-UHFFFAOYSA-N 2 0 304.463 2.960 20 0 DFADRP C[C@@H](CCCC[NH3+])[NH2+]Cc1nccn1CCc1ccccc1 ZINC000422828689 296340339 /nfs/dbraw/zinc/34/03/39/296340339.db2.gz GHZZQFUUVCJZQU-INIZCTEOSA-N 2 0 300.450 2.733 20 0 DFADRP CC[NH+](CC)[C@H](CN[C@H]1CCC[C@@H]1C[NH3+])Cc1ccccc1 ZINC000422828282 296340426 /nfs/dbraw/zinc/34/04/26/296340426.db2.gz FUHNBMQRNSDHFE-QYZOEREBSA-N 2 0 303.494 2.657 20 0 DFADRP C[C@H](CCCC[NH3+])[NH2+]Cc1nccn1CCc1ccccc1 ZINC000422828690 296340443 /nfs/dbraw/zinc/34/04/43/296340443.db2.gz GHZZQFUUVCJZQU-MRXNPFEDSA-N 2 0 300.450 2.733 20 0 DFADRP c1csc(CC[NH2+][C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)n1 ZINC000422839588 296342329 /nfs/dbraw/zinc/34/23/29/296342329.db2.gz QTQKGDKNZSGTHX-WMLDXEAASA-N 2 0 315.442 2.531 20 0 DFADRP c1csc(CC[NH2+][C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)n1 ZINC000422839586 296342466 /nfs/dbraw/zinc/34/24/66/296342466.db2.gz QTQKGDKNZSGTHX-PBHICJAKSA-N 2 0 315.442 2.531 20 0 DFADRP C[C@H](C[NH2+][C@@H]1CCC[C@@H]1[NH3+])Oc1ccccc1Br ZINC000422836855 296342079 /nfs/dbraw/zinc/34/20/79/296342079.db2.gz KSBLQEOAKFWQSY-KGYLQXTDSA-N 2 0 313.239 2.686 20 0 DFADRP CCO[C@@H]1C[C@H]([NH2+][C@@H]2CCOC[C@H]2[C@@H]2CCC[NH2+]2)C1(CC)CC ZINC000422837786 296342199 /nfs/dbraw/zinc/34/21/99/296342199.db2.gz MUAUERGWBZCUCO-IECFSIQFSA-N 2 0 324.509 2.717 20 0 DFADRP CC(C)[C@@H](CN[C@@H](C)c1c[nH+]ccc1N)[NH+]1CCC(C)CC1 ZINC000422840377 296342787 /nfs/dbraw/zinc/34/27/87/296342787.db2.gz BKUSTWKDUBWLDM-MAUKXSAKSA-N 2 0 304.482 2.901 20 0 DFADRP CC[NH+](CC)CCN(CC(C)C)C(=O)CC1CC[NH+](C)CC1 ZINC000347018936 285006365 /nfs/dbraw/zinc/00/63/65/285006365.db2.gz ITNHJEUHAKKWPY-UHFFFAOYSA-N 2 0 311.514 2.545 20 0 DFADRP [NH3+]C[C@H]1CCCC[C@H]1[NH2+]CC1(c2ccccc2)CCOCC1 ZINC000422843092 296343088 /nfs/dbraw/zinc/34/30/88/296343088.db2.gz GYWHTQXBAALMAZ-SJLPKXTDSA-N 2 0 302.462 2.842 20 0 DFADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]CCC(=O)NCc1ccccc1 ZINC000422848470 296344279 /nfs/dbraw/zinc/34/42/79/296344279.db2.gz TYALUZWGDDTHGU-AEFFLSMTSA-N 2 0 317.477 2.593 20 0 DFADRP COc1ccccc1N1CC[C@H](C[NH2+][C@@H]2CCCC[C@H]2C[NH3+])C1 ZINC000422845262 296343798 /nfs/dbraw/zinc/34/37/98/296343798.db2.gz BINCSMNCIKANCY-IXDOHACOSA-N 2 0 317.477 2.629 20 0 DFADRP COC1CC([NH2+]Cc2ccccc2C[NH+]2C[C@@H](C)O[C@H](C)C2)C1 ZINC000347361101 285014622 /nfs/dbraw/zinc/01/46/22/285014622.db2.gz IWYSOXZZQQOHJR-QAQJPARQSA-N 2 0 318.461 2.563 20 0 DFADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]CC1(c2ccccc2)CCOCC1 ZINC000422852224 296345050 /nfs/dbraw/zinc/34/50/50/296345050.db2.gz XRXBBPOAQBTKIR-SJLPKXTDSA-N 2 0 302.462 2.713 20 0 DFADRP Cc1ccc(C[NH2+][C@@H]2CCC[C@@H]2C[NH3+])c(OC[C@@H]2CCOC2)c1 ZINC000422860692 296346388 /nfs/dbraw/zinc/34/63/88/296346388.db2.gz IQBHUHDDEVUNCV-JFIYKMOQSA-N 2 0 318.461 2.627 20 0 DFADRP Cc1cc(C)n(-c2ccc(CC[NH2+]C3C[C@H]4CC[C@@H](C3)[NH2+]4)cc2)n1 ZINC000422862319 296346462 /nfs/dbraw/zinc/34/64/62/296346462.db2.gz NMUMWHPMJCDLBM-DFNIBXOVSA-N 2 0 324.472 2.904 20 0 DFADRP CSC1(C[NH2+]Cc2nc3ccccc3o2)CC[NH+](C)CC1 ZINC000602666834 399510840 /nfs/dbraw/zinc/51/08/40/399510840.db2.gz LRXFJADOUULVQX-UHFFFAOYSA-N 2 0 305.447 2.745 20 0 DFADRP COC[C@@H](CCC[NH3+])[NH2+]Cc1ccc(F)cc1CSC ZINC000422860069 296346035 /nfs/dbraw/zinc/34/60/35/296346035.db2.gz HWAOVWVVEQGNBH-OAHLLOKOSA-N 2 0 300.443 2.532 20 0 DFADRP C[C@@H]1CCC[N@H+](Cc2ccc(CN[C@H]3CCC[C@@H]3[NH3+])cc2)C1 ZINC000422868742 296347424 /nfs/dbraw/zinc/34/74/24/296347424.db2.gz VTWLPEVIWCDYSG-MNEFBYGVSA-N 2 0 301.478 2.888 20 0 DFADRP CC1CC[NH+](CCN[C@H]2CC[NH2+][C@H](c3ccccc3)C2)CC1 ZINC000422868962 296347448 /nfs/dbraw/zinc/34/74/48/296347448.db2.gz WJTGOGLVVZDRMO-OALUTQOASA-N 2 0 301.478 2.801 20 0 DFADRP Cc1ccc([C@@H](CN[C@@H](C)[C@@H]2CCCC[NH2+]2)[NH+]2CCCC2)o1 ZINC000422877967 296349065 /nfs/dbraw/zinc/34/90/65/296349065.db2.gz JEWJHBZRGATIRE-YESZJQIVSA-N 2 0 305.466 2.845 20 0 DFADRP C[C@H](CCC[NH3+])[NH2+][C@H](C)c1ccc(NC(=O)NC2CC2)cc1 ZINC000422877363 296349211 /nfs/dbraw/zinc/34/92/11/296349211.db2.gz HWDWPNAUBHQQCQ-CHWSQXEVSA-N 2 0 304.438 2.749 20 0 DFADRP COc1ccc(OC(F)F)c(C[NH2+][C@H]2CCCC[C@H]2C[NH3+])c1 ZINC000422879108 296349335 /nfs/dbraw/zinc/34/93/35/296349335.db2.gz UMISKNZFOIDOBF-FZMZJTMJSA-N 2 0 314.376 2.904 20 0 DFADRP C[C@@H]([NH3+])c1ccc(C(=O)NCC[NH2+]C2CCCCCC2)cc1 ZINC000422879630 296349339 /nfs/dbraw/zinc/34/93/39/296349339.db2.gz VSCQRMROJOBNBB-CQSZACIVSA-N 2 0 303.450 2.749 20 0 DFADRP C[C@H](C[C@H](C)[NH3+])[NH2+][C@H](C)c1ccc(NC(=O)NC2CC2)cc1 ZINC000422873666 296348384 /nfs/dbraw/zinc/34/83/84/296348384.db2.gz AYVJZERBFSYILO-YNEHKIRRSA-N 2 0 304.438 2.747 20 0 DFADRP Cc1nc(C[NH3+])ccc1[C@H](C)N[C@H](C)C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000422874538 296348427 /nfs/dbraw/zinc/34/84/27/296348427.db2.gz AIBAONOFTUJNFB-QXSJWSMHSA-N 2 0 318.509 2.866 20 0 DFADRP C[C@@H]1CCC[N@H+](Cc2ccccc2CN[C@@H]2CCC[C@H]2[NH3+])C1 ZINC000422874834 296348714 /nfs/dbraw/zinc/34/87/14/296348714.db2.gz DINFTDGXKHFZPP-ATZDWAIDSA-N 2 0 301.478 2.888 20 0 DFADRP C[C@H]([NH2+][C@H]1CCC[NH2+]CC1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000422877733 296348928 /nfs/dbraw/zinc/34/89/28/296348928.db2.gz IEAVMFBYYOAKDJ-ZFWWWQNUSA-N 2 0 316.449 2.763 20 0 DFADRP C[C@H]([NH2+][C@@H]1CCC[NH2+]CC1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000422877721 296348959 /nfs/dbraw/zinc/34/89/59/296348959.db2.gz IEAVMFBYYOAKDJ-DZGCQCFKSA-N 2 0 316.449 2.763 20 0 DFADRP C[C@@H]([NH2+]CC(C)(C)c1cccc(Br)c1)C1C[NH2+]C1 ZINC000422877724 296348996 /nfs/dbraw/zinc/34/89/96/296348996.db2.gz IRQZTHPNZQDBJU-LLVKDONJSA-N 2 0 311.267 2.924 20 0 DFADRP C[C@@H]1C[NH+](CC2CC[NH+](CC[C@@H]3CCCCO3)CC2)C[C@@H](C)O1 ZINC000347392387 285028607 /nfs/dbraw/zinc/02/86/07/285028607.db2.gz LCDJNMKAGBCWCY-LMMKCTJWSA-N 2 0 324.509 2.767 20 0 DFADRP Cc1cccc(C[NH+]2CCN(C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)c1 ZINC000119621183 195004286 /nfs/dbraw/zinc/00/42/86/195004286.db2.gz FHDGITFLVMSBFQ-YOFSQIOKSA-N 2 0 313.489 2.738 20 0 DFADRP C[C@@H]([NH3+])[C@@H](Cc1ccccc1)NCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000422884340 296350057 /nfs/dbraw/zinc/35/00/57/296350057.db2.gz RWBBFLXSMLQZIR-AJYBTWMASA-N 2 0 317.521 2.903 20 0 DFADRP CC[N@H+](CCN[C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)C(C)C ZINC000422883879 296350082 /nfs/dbraw/zinc/35/00/82/296350082.db2.gz VUXALTNBLLUYTR-MJGOQNOKSA-N 2 0 317.477 2.562 20 0 DFADRP C[C@@H]([NH3+])c1ccc(CNC(=O)[C@H]([NH3+])CC2CCCCC2)cc1 ZINC000422883993 296350223 /nfs/dbraw/zinc/35/02/23/296350223.db2.gz DKEHKSKLSZNVNN-CXAGYDPISA-N 2 0 303.450 2.620 20 0 DFADRP CCOc1ccc(C2(C[NH2+][C@@H]3CCC[C@@H]3[NH3+])CCOCC2)cc1 ZINC000422885965 296350621 /nfs/dbraw/zinc/35/06/21/296350621.db2.gz ZTHOIDQMHBJWJP-ZWKOTPCHSA-N 2 0 318.461 2.603 20 0 DFADRP COc1ccc(C[NH2+][C@H](C)C[C@@H](C)[NH3+])cc1Br ZINC000422886065 296350470 /nfs/dbraw/zinc/35/04/70/296350470.db2.gz ZZKVJXKPEXNGHN-NXEZZACHSA-N 2 0 301.228 2.673 20 0 DFADRP COc1ccc(C[NH2+][C@H](C)[C@@H]2CC[NH2+]C2)cc1Br ZINC000422885630 296350496 /nfs/dbraw/zinc/35/04/96/296350496.db2.gz YZZFEEGRKJFXEG-ZYHUDNBSSA-N 2 0 313.239 2.545 20 0 DFADRP Cc1ccccc1C1(C[NH2+][C@@H](C)[C@@H]2CCC[NH2+]2)CCOCC1 ZINC000422881166 296349666 /nfs/dbraw/zinc/34/96/66/296349666.db2.gz PREPSSXNEPEKTI-WMZOPIPTSA-N 2 0 302.462 2.773 20 0 DFADRP CC[NH+](CC)CCOc1ccccc1CN[C@H](C)[C@H]1CCC[NH2+]1 ZINC000422888872 296351304 /nfs/dbraw/zinc/35/13/04/296351304.db2.gz DUUUZQNQDVPSBQ-SJLPKXTDSA-N 2 0 319.493 2.637 20 0 DFADRP C[C@H](CCC[NH3+])[NH2+]C1[C@@H](C)C[NH+](Cc2ccccc2)C[C@@H]1C ZINC000422886840 296350754 /nfs/dbraw/zinc/35/07/54/296350754.db2.gz JTEASGNFQJQNNW-YESZJQIVSA-N 3 0 303.494 2.860 20 0 DFADRP CC[C@H]([NH2+]C[C@H]1CCN(c2cccc(OC)c2)C1)[C@@H]1CCC[NH2+]1 ZINC000422899752 296352665 /nfs/dbraw/zinc/35/26/65/296352665.db2.gz IFIXRLYRESATLV-MNEFBYGVSA-N 2 0 317.477 2.642 20 0 DFADRP C(C[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)Cc1nc2c(s1)CCCC2 ZINC000422900264 296352775 /nfs/dbraw/zinc/35/27/75/296352775.db2.gz AGOBMOKJUKLAKD-PBWFPOADSA-N 2 0 305.491 2.827 20 0 DFADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]C[C@@H]1CCN(c2ccc(F)cc2)C1 ZINC000422900045 296352808 /nfs/dbraw/zinc/35/28/08/296352808.db2.gz PTNOLNUMCFVIHK-RVKKMQEKSA-N 2 0 305.441 2.630 20 0 DFADRP Cc1ccccc1C[NH+]1CCC(N[C@@H]2C[NH2+]CC[C@@H]2C)CC1 ZINC000422899994 296352856 /nfs/dbraw/zinc/35/28/56/296352856.db2.gz PQQAASGJXGEGLU-QFBILLFUSA-N 2 0 301.478 2.547 20 0 DFADRP COc1ccc(OCCC[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)cc1 ZINC000422894746 296351892 /nfs/dbraw/zinc/35/18/92/296351892.db2.gz DCWJBMGMLUENIB-OTWHNJEPSA-N 2 0 318.461 2.974 20 0 DFADRP CC[C@H]([NH2+]CCCOc1ccc(OC)cc1)[C@@H]1CCCC[NH2+]1 ZINC000422894250 296351908 /nfs/dbraw/zinc/35/19/08/296351908.db2.gz BVEHGKORNDGISQ-ROUUACIJSA-N 2 0 306.450 2.974 20 0 DFADRP Cc1nc(CC[NH2+][C@@H](Cc2ccccc2)[C@@H](C)[NH3+])sc1C ZINC000422895060 296352220 /nfs/dbraw/zinc/35/22/20/296352220.db2.gz VDJXQVNOLCLLBT-WBMJQRKESA-N 2 0 303.475 2.851 20 0 DFADRP [NH3+]CC1CCC([NH2+]C[C@@H]2CCN(c3ccc(F)cc3)C2)CC1 ZINC000422897453 296352407 /nfs/dbraw/zinc/35/24/07/296352407.db2.gz JSUNTCNDUDJLGQ-CKDBGZEDSA-N 2 0 305.441 2.759 20 0 DFADRP Cc1ccc(C[NH2+][C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)cn1 ZINC000422896557 296352462 /nfs/dbraw/zinc/35/24/62/296352462.db2.gz IMYBAUGSCLHZAB-MJGOQNOKSA-N 2 0 309.413 2.736 20 0 DFADRP Cc1ccccc1C1(C[NH2+][C@@H]2CCOC[C@H]2[C@H]2CCC[NH2+]2)CC1 ZINC000422898595 296352531 /nfs/dbraw/zinc/35/25/31/296352531.db2.gz FPXGGJDOGXKWIA-QXAKKESOSA-N 2 0 314.473 2.773 20 0 DFADRP Cc1ccccc1CN1CCC([NH2+][C@@H]2CC[NH2+]CC[C@H]2C)CC1 ZINC000422897833 296352590 /nfs/dbraw/zinc/35/25/90/296352590.db2.gz KHGZVVDOSZTQCD-YLJYHZDGSA-N 2 0 315.505 2.937 20 0 DFADRP COc1ccc(Cl)cc1N1CC[C@H]([NH2+][C@@H](C)CCC[NH3+])C1 ZINC000422906502 296354433 /nfs/dbraw/zinc/35/44/33/296354433.db2.gz JZSQAZXCEBYTLV-JSGCOSHPSA-N 2 0 311.857 2.644 20 0 DFADRP CCc1cccc2c(CC[NH2+][C@H](CCC[NH3+])COC)c[nH]c21 ZINC000422915799 296355343 /nfs/dbraw/zinc/35/53/43/296355343.db2.gz ZBIUJDMVVKZRBB-MRXNPFEDSA-N 2 0 303.450 2.616 20 0 DFADRP FC(F)(F)CC[NH2+][C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422917444 296355429 /nfs/dbraw/zinc/35/54/29/296355429.db2.gz DWVAUHTYWMOYPF-TZMCWYRMSA-N 2 0 300.324 2.784 20 0 DFADRP Cc1ccoc1C(=O)NCCC[NH2+][C@H](C)C[C@H]1CCCCC[NH2+]1 ZINC000422922333 296356145 /nfs/dbraw/zinc/35/61/45/296356145.db2.gz PZKLCHGMLDTOKP-HZPDHXFCSA-N 2 0 321.465 2.608 20 0 DFADRP Cc1cccc(NCC[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)n1 ZINC000422919868 296355714 /nfs/dbraw/zinc/35/57/14/296355714.db2.gz LCCFPTQCBFAKEH-IXDOHACOSA-N 2 0 302.466 2.702 20 0 DFADRP [NH3+]C[C@H]1CCC[C@@H]1[NH2+]CCc1ccccc1OC(F)(F)F ZINC000422929134 296356300 /nfs/dbraw/zinc/35/63/00/296356300.db2.gz OIXDXBFPLLCSLL-OLZOCXBDSA-N 2 0 302.340 2.845 20 0 DFADRP c1ccc2c(c1)SCC[C@@H]2[NH2+][C@@H]1CCOC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000422928752 296356389 /nfs/dbraw/zinc/35/63/89/296356389.db2.gz MKOISKOVLSJSOA-TWMKSMIVSA-N 2 0 318.486 2.970 20 0 DFADRP CC(C)[C@H](C[NH2+][C@@H]1CCC[C@H]1C[NH3+])N1CCc2ccccc2C1 ZINC000422937715 296357878 /nfs/dbraw/zinc/35/78/78/296357878.db2.gz KAARPYWRKMIFTO-SXLOBPIMSA-N 2 0 315.505 2.786 20 0 DFADRP CC(C)[C@H](CN[C@H]1CCC[C@@H]1[NH3+])[N@@H+]1CCc2ccccc2C1 ZINC000422937659 296358033 /nfs/dbraw/zinc/35/80/33/296358033.db2.gz JQDSGKOALUKEBI-FHWLQOOXSA-N 2 0 301.478 2.539 20 0 DFADRP COc1ccc(Br)cc1C[NH2+][C@@H](C)C[C@H](C)[NH3+] ZINC000422937407 296358090 /nfs/dbraw/zinc/35/80/90/296358090.db2.gz CIUDDBCYRDVDBI-UWVGGRQHSA-N 2 0 301.228 2.673 20 0 DFADRP c1ccc2c(c1)O[C@]1(CC[NH2+]C1)C[C@H]2[NH2+]C1CCSCC1 ZINC000422941034 296358178 /nfs/dbraw/zinc/35/81/78/296358178.db2.gz HMKPZSHHTQSXRA-NVXWUHKLSA-N 2 0 304.459 2.728 20 0 DFADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]CCCc1nc(C(C)C)no1 ZINC000422941890 296358742 /nfs/dbraw/zinc/35/87/42/296358742.db2.gz VYEVJHJQXZQQLN-LBPRGKRZSA-N 2 0 317.437 2.639 20 0 DFADRP COc1ccc(Br)cc1C[NH2+][C@H](C)C[C@@H](C)[NH3+] ZINC000422937405 296357820 /nfs/dbraw/zinc/35/78/20/296357820.db2.gz CIUDDBCYRDVDBI-NXEZZACHSA-N 2 0 301.228 2.673 20 0 DFADRP C[C@H](CCCC[NH3+])[NH2+]CCOc1cccc(Br)c1 ZINC000422936709 296357832 /nfs/dbraw/zinc/35/78/32/296357832.db2.gz FUIJLWCLTGQPSV-GFCCVEGCSA-N 2 0 315.255 2.935 20 0 DFADRP CC[C@H]([NH2+][C@H](C)[C@H]1CCC[NH2+]C1)c1ccc2c(c1)OCCO2 ZINC000422949369 296359734 /nfs/dbraw/zinc/35/97/34/296359734.db2.gz TXCBNFPZKQYJQH-KBMXLJTQSA-N 2 0 304.434 2.887 20 0 DFADRP CC[C@H](C)C(=O)Nc1cccc(C[NH2+][C@H]2CCC[NH2+]CC2)c1 ZINC000422951569 296359956 /nfs/dbraw/zinc/35/99/56/296359956.db2.gz ZAYNVZPUIUNRBU-HOCLYGCPSA-N 2 0 303.450 2.903 20 0 DFADRP [NH3+]C[C@H]1CCC[C@H]1Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000422957536 296361019 /nfs/dbraw/zinc/36/10/19/296361019.db2.gz UQULEBHRBYICJS-NVXWUHKLSA-N 2 0 305.491 2.775 20 0 DFADRP CCOC(=O)[C@@H](CC(C)C)[N@@H+]1CCC[C@H](n2ccnc2C)C1 ZINC000611782768 399524948 /nfs/dbraw/zinc/52/49/48/399524948.db2.gz AVMBUCJYVZCYLS-JKSUJKDBSA-N 2 0 307.438 2.806 20 0 DFADRP C[C@@H](Nc1cccc(C[NH+]2CCSCC2)c1)[C@H]1CCC[NH2+]1 ZINC000422958939 296361080 /nfs/dbraw/zinc/36/10/80/296361080.db2.gz ZPUSFXFEAQQBIB-RHSMWYFYSA-N 2 0 305.491 2.788 20 0 DFADRP Fc1ccc(OCC[NH2+][C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)cc1F ZINC000422951985 296360127 /nfs/dbraw/zinc/36/01/27/296360127.db2.gz BDZDBENILMQXAA-KBRIMQKVSA-N 2 0 310.388 2.854 20 0 DFADRP [NH3+][C@H]1CCCCC[C@H]1[NH2+]CCCC(=O)N1Cc2ccccc2C1 ZINC000422959923 296361289 /nfs/dbraw/zinc/36/12/89/296361289.db2.gz UQQLQOKHFOXZND-ZWKOTPCHSA-N 2 0 315.461 2.559 20 0 DFADRP CC[C@@H]([NH2+]C[C@@H](c1ccccc1)C(C)(C)CO)[C@@H]1CCC[NH2+]1 ZINC000422965186 296362030 /nfs/dbraw/zinc/36/20/30/296362030.db2.gz KMZZARXLOCASEU-KSZLIROESA-N 2 0 304.478 2.909 20 0 DFADRP C[C@H](NC[C@H](c1ccco1)[NH+]1CCCCC1)[C@H]1CCCC[NH2+]1 ZINC000422967920 296362654 /nfs/dbraw/zinc/36/26/54/296362654.db2.gz UZJBNXFMYNYWBK-GVDBMIGSSA-N 2 0 305.466 2.927 20 0 DFADRP c1coc([C@H](CNC2C[C@H]3CC[C@@H](C2)[NH2+]3)[NH+]2CCCCC2)c1 ZINC000422969229 296362733 /nfs/dbraw/zinc/36/27/33/296362733.db2.gz ZFDZLJXCUSUZRH-WFVVYAPDSA-N 2 0 303.450 2.679 20 0 DFADRP CC1CC[NH+](Cc2ccccc2CN[C@H]2CCC[C@H]2[NH3+])CC1 ZINC000422968217 296362746 /nfs/dbraw/zinc/36/27/46/296362746.db2.gz QRXKZYQLMJPMOJ-MOPGFXCFSA-N 2 0 301.478 2.888 20 0 DFADRP C[C@@H]([NH3+])C[C@H](C)[NH2+]CCNc1cccc(Br)c1 ZINC000422966688 296362286 /nfs/dbraw/zinc/36/22/86/296362286.db2.gz RSLYDQMYHOBHAQ-MNOVXSKESA-N 2 0 300.244 2.576 20 0 DFADRP C[C@H](CCC[NH3+])[NH2+]Cc1ccc(N2CCc3ccccc3C2)nc1 ZINC000422967025 296362408 /nfs/dbraw/zinc/36/24/08/296362408.db2.gz BECRSEVVZDDXFD-MRXNPFEDSA-N 2 0 324.472 2.861 20 0 DFADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]Cc1ccc(OC(C)C)nc1 ZINC000422967174 296362468 /nfs/dbraw/zinc/36/24/68/296362468.db2.gz BMXXNVDFQZCMBI-ZDUSSCGKSA-N 2 0 314.433 2.882 20 0 DFADRP CSc1cc(C[NH2+][C@H](C)c2ccc(C[NH3+])nc2C)ccn1 ZINC000422985089 296364171 /nfs/dbraw/zinc/36/41/71/296364171.db2.gz CAAHHCACSFXEGC-LLVKDONJSA-N 2 0 302.447 2.816 20 0 DFADRP CCCOc1ccc(C[NH2+][C@@H](C)c2ccc(C[NH3+])nc2C)cn1 ZINC000422983163 296363886 /nfs/dbraw/zinc/36/38/86/296363886.db2.gz YSCLZJZMEKRCOF-ZDUSSCGKSA-N 2 0 314.433 2.883 20 0 DFADRP [NH3+]C[C@H]1CCCC[C@@H]1[NH2+]CCOc1ccc(C(F)(F)F)cn1 ZINC000422989398 296364467 /nfs/dbraw/zinc/36/44/67/296364467.db2.gz LKJCMEXLEZSQJQ-YPMHNXCESA-N 2 0 317.355 2.586 20 0 DFADRP CC[C@H](C[C@H](C)CO)[NH2+][C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423002363 296365881 /nfs/dbraw/zinc/36/58/81/296365881.db2.gz FZFTUCDIMUTJTP-JHDROBOHSA-N 2 0 318.461 2.629 20 0 DFADRP OC[C@H](C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1)c1ccccc1 ZINC000423001198 296366057 /nfs/dbraw/zinc/36/60/57/296366057.db2.gz DESLLJOUOVVVQO-ZSYWTGECSA-N 2 0 302.462 2.663 20 0 DFADRP C[C@H]([NH2+]C[C@]1(C)COc2ccccc2O1)C1CC[NH+](C)CC1 ZINC000624041169 399533612 /nfs/dbraw/zinc/53/36/12/399533612.db2.gz LDBLAIJXVDVKRV-KBXCAEBGSA-N 2 0 304.434 2.536 20 0 DFADRP C(CC1CC[NH+](CC[C@H]2CCCCO2)CC1)C[NH+]1CCOCC1 ZINC000347606272 285089086 /nfs/dbraw/zinc/08/90/86/285089086.db2.gz HAESDLXTGJLSCJ-LJQANCHMSA-N 2 0 324.509 2.770 20 0 DFADRP [NH3+]C[C@H]1CCC[C@@H]1[NH2+]Cc1cccc(COCC(F)(F)F)c1 ZINC000423005341 296366322 /nfs/dbraw/zinc/36/63/22/296366322.db2.gz RNPPSIHZAQMVCH-CABCVRRESA-N 2 0 316.367 2.983 20 0 DFADRP C[C@H]([NH3+])C[C@H](C)[NH2+]Cc1cccc(COCC(F)(F)F)c1 ZINC000423004404 296366361 /nfs/dbraw/zinc/36/63/61/296366361.db2.gz OXEDTOYVGZYURW-RYUDHWBXSA-N 2 0 304.356 2.981 20 0 DFADRP Cc1ccc([C@H](Cn2ccnc2)[NH2+][C@@H](C)[C@H]2CC[NH2+]C2)c(C)c1 ZINC000423006480 296366554 /nfs/dbraw/zinc/36/65/54/296366554.db2.gz VKLXEPVSUJNADM-LNLFQRSKSA-N 2 0 312.461 2.829 20 0 DFADRP Cc1ccc([C@H](Cn2ccnc2)[NH2+][C@@H]2CCC[NH2+]CC2)c(C)c1 ZINC000423006532 296366813 /nfs/dbraw/zinc/36/68/13/296366813.db2.gz VRGJDMOKFASFBJ-MJGOQNOKSA-N 2 0 312.461 2.973 20 0 DFADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+][C@H]1CCCN(c2ccccc2F)C1 ZINC000423008590 296366901 /nfs/dbraw/zinc/36/69/01/296366901.db2.gz AMMRMXDSJZUZBD-HLLBOEOZSA-N 2 0 305.441 2.772 20 0 DFADRP CN1CC[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)[C@@H]1c1ccc(Cl)cc1 ZINC000423015812 296367971 /nfs/dbraw/zinc/36/79/71/296367971.db2.gz RWFMPUIDJMNYPT-MPBYHJMHSA-N 2 0 319.880 2.958 20 0 DFADRP CN1CC[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)[C@H]1c1ccc(F)c(F)c1 ZINC000423015930 296367988 /nfs/dbraw/zinc/36/79/88/296367988.db2.gz ANPVXJRQCMGQKP-IJMVSKDOSA-N 2 0 321.415 2.583 20 0 DFADRP C[C@H]([NH2+][C@@H](C)[C@@H]1CCC[NH2+]C1)c1cnn(Cc2ccccc2)c1 ZINC000423015740 296368281 /nfs/dbraw/zinc/36/82/81/296368281.db2.gz RKFKKURBDUWASD-XYJFISCASA-N 2 0 312.461 2.970 20 0 DFADRP CC[C@H]([NH2+][C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)[C@@H]1CCCO1 ZINC000423011236 296367366 /nfs/dbraw/zinc/36/73/66/296367366.db2.gz IIFWWSPWJAHWPZ-OGWHTMIXSA-N 2 0 316.445 2.790 20 0 DFADRP Cc1cnccc1CC[NH2+][C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423012611 296367371 /nfs/dbraw/zinc/36/73/71/296367371.db2.gz LELIPBLCZIBWOV-ICSRJNTNSA-N 2 0 323.440 2.778 20 0 DFADRP Cc1cnccc1CC[NH2+][C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423012613 296367433 /nfs/dbraw/zinc/36/74/33/296367433.db2.gz LELIPBLCZIBWOV-UYAOXDASSA-N 2 0 323.440 2.778 20 0 DFADRP COc1ccc(C[C@H](C)C[NH2+][C@@H]2CC[NH2+]CC[C@@H]2C)cc1OC ZINC000423026632 296369426 /nfs/dbraw/zinc/36/94/26/296369426.db2.gz QKGFMHJBBBSMBT-YQQAZPJKSA-N 2 0 320.477 2.860 20 0 DFADRP Cc1nn(C)c(C)c1CCC[NH2+][C@H](C)C[C@H]1CCCCC[NH2+]1 ZINC000423018896 296368540 /nfs/dbraw/zinc/36/85/40/296368540.db2.gz SIGKPCJXSMMKMQ-RHSMWYFYSA-N 2 0 306.498 2.870 20 0 DFADRP C[C@H]([NH2+]CCc1c[nH]c2ccc(Br)cc12)C1C[NH2+]C1 ZINC000423036749 296370378 /nfs/dbraw/zinc/37/03/78/296370378.db2.gz USEWSAWQGWANKR-JTQLQIEISA-N 2 0 322.250 2.670 20 0 DFADRP COC[C@@H](CCC[NH3+])[NH2+][C@@H](c1cccc(F)c1)c1ccccn1 ZINC000423032208 296369980 /nfs/dbraw/zinc/36/99/80/296369980.db2.gz XWDVXEYRMUWDCV-AEFFLSMTSA-N 2 0 317.408 2.654 20 0 DFADRP Cc1cc(C[NH+](C)C)cc(N[C@@H]2CCOC[C@H]2[C@@H]2CCC[NH2+]2)c1 ZINC000423031316 296370047 /nfs/dbraw/zinc/37/00/47/296370047.db2.gz UWENFKLXHRXSCO-GBESFXJTSA-N 2 0 317.477 2.626 20 0 DFADRP Fc1ccc(N2CC[C@@H]([NH2+][C@@H]3CCC[NH2+]CC3)C2)cc1Cl ZINC000423037849 296370526 /nfs/dbraw/zinc/37/05/26/296370526.db2.gz CGMPXKUZEAXDAS-CHWSQXEVSA-N 2 0 311.832 2.790 20 0 DFADRP [NH3+][C@@H]1CCC[C@@H]1[NH2+]CCc1c[nH]c2ccc(Br)cc12 ZINC000423037680 296370617 /nfs/dbraw/zinc/37/06/17/296370617.db2.gz WOPSFTKTASGQFV-HIFRSBDPSA-N 2 0 322.250 2.942 20 0 DFADRP COc1cccc([C@@H]2[C@H]([NH2+][C@@H](C)C[C@H](C)[NH3+])CCN2C2CC2)c1 ZINC000423041748 296370969 /nfs/dbraw/zinc/37/09/69/296370969.db2.gz JQCLQIJPMMINDS-YXUGBTPSSA-N 2 0 317.477 2.688 20 0 DFADRP C[C@H](NC1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000423039961 296371075 /nfs/dbraw/zinc/37/10/75/296371075.db2.gz GJBZGGMXINKSCJ-KWVUDZMESA-N 2 0 313.489 2.770 20 0 DFADRP C[C@H]([NH2+][C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)[C@H]1CCCCO1 ZINC000423044951 296371395 /nfs/dbraw/zinc/37/13/95/296371395.db2.gz RMRSFCLJHNSBML-KNIMUDFMSA-N 2 0 316.445 2.790 20 0 DFADRP Fc1ccc(N2CC[C@@H]([NH2+]C3C[C@H]4CC[C@@H](C3)[NH2+]4)C2)cc1Cl ZINC000423045020 296371402 /nfs/dbraw/zinc/37/14/02/296371402.db2.gz RXSQLEIVYWWCHJ-RBKKPWLPSA-N 2 0 323.843 2.930 20 0 DFADRP C[C@H](N[C@@H](C)[C@H]1CCC[NH2+]1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000423049472 296371892 /nfs/dbraw/zinc/37/18/92/296371892.db2.gz XRYILYJTMLCWTA-RNIPGJKVSA-N 2 0 301.478 2.627 20 0 DFADRP CC(C)CC[C@@H]1CCC[C@@H]1[NH2+]CCCN1CCC[C@H]1C(N)=O ZINC000624085456 399548455 /nfs/dbraw/zinc/54/84/55/399548455.db2.gz WDZPWTUEYHXVGF-ULQDDVLXSA-N 2 0 309.498 2.521 20 0 DFADRP Cc1cc(C(F)(F)F)ccc1C[NH2+][C@@H]1CCOC[C@@H]1[C@H](C)[NH3+] ZINC000423062109 296373473 /nfs/dbraw/zinc/37/34/73/296373473.db2.gz SKYRPFNUUMADKY-NILFDRSVSA-N 2 0 316.367 2.856 20 0 DFADRP C[C@H]1CC[NH2+]CC[C@@H]1[NH2+]CCN1CCc2c(Cl)cccc2C1 ZINC000423064765 296374236 /nfs/dbraw/zinc/37/42/36/296374236.db2.gz ZRVHTCSXYHDUIQ-KSSFIOAISA-N 2 0 321.896 2.676 20 0 DFADRP C[C@@H]1CC[NH2+]C[C@@H]1NC[C@@]1(C)CCC[N@@H+]1Cc1ccccc1 ZINC000423064872 296374264 /nfs/dbraw/zinc/37/42/64/296374264.db2.gz SHMVDDHGECCJTF-NZSAHSFTSA-N 2 0 301.478 2.629 20 0 DFADRP [NH3+][C@H]1CCCCC[C@@H]1[NH2+]CCN1CCc2c(Cl)cccc2C1 ZINC000423063361 296373815 /nfs/dbraw/zinc/37/38/15/296373815.db2.gz WEAYDILMYPVYQL-ROUUACIJSA-N 2 0 321.896 2.948 20 0 DFADRP CC[C@H]([NH2+]C[C@@]1(O)CCC[C@@H](C(F)(F)F)C1)[C@@H]1CCC[NH2+]1 ZINC000423063053 296373910 /nfs/dbraw/zinc/37/39/10/296373910.db2.gz OHCBORQDEDTDGX-ZOBORPQBSA-N 2 0 308.388 2.590 20 0 DFADRP C[C@H]([NH2+]Cc1ccnc(N2CC[NH+](C)CC2)c1)C1CCCC1 ZINC000159199279 197334957 /nfs/dbraw/zinc/33/49/57/197334957.db2.gz QBQXRPDODRQVEA-HNNXBMFYSA-N 2 0 302.466 2.502 20 0 DFADRP CCOC[C@H]([NH2+][C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)C(C)C ZINC000423074493 296375272 /nfs/dbraw/zinc/37/52/72/296375272.db2.gz UVGOMFUMWIAKDE-JENIJYKNSA-N 2 0 318.461 2.893 20 0 DFADRP CCOC(=O)C1([C@H](C)[NH2+][C@@H]2CCC23CCCC3)CC[NH2+]CC1 ZINC000423072683 296375306 /nfs/dbraw/zinc/37/53/06/296375306.db2.gz HNIJHUBOXKOEDY-LSDHHAIUSA-N 2 0 308.466 2.620 20 0 DFADRP C[C@H](O)[C@](C)(C[NH2+][C@H]1CCCC[C@H]1C[NH3+])Cc1ccccc1 ZINC000423078502 296376088 /nfs/dbraw/zinc/37/60/88/296376088.db2.gz OQTOTMFXLZTEHP-WNHJNPCNSA-N 2 0 304.478 2.723 20 0 DFADRP C[C@H]([NH3+])[C@H]1COCC[C@@H]1[NH2+]Cc1ccc(-c2ccco2)cc1F ZINC000423084301 296376223 /nfs/dbraw/zinc/37/62/23/296376223.db2.gz HPUUTXXUKKJYLO-MJEQTWJJSA-N 2 0 318.392 2.928 20 0 DFADRP CC(C)[C@H]([NH2+][C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)C(C)(C)O ZINC000423078245 296375514 /nfs/dbraw/zinc/37/55/14/296375514.db2.gz NYGVLXBRVQVICD-IEZWGBDMSA-N 2 0 318.461 2.627 20 0 DFADRP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+]C[C@@]1(CO)C[C@@H]1c1ccc(F)cc1 ZINC000423075766 296375623 /nfs/dbraw/zinc/37/56/23/296375623.db2.gz PFBBODHYLRDBQP-ZJPYXAASSA-N 2 0 306.425 2.541 20 0 DFADRP COCCC[C@H](Cc1ccccc1)[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000423087192 296376724 /nfs/dbraw/zinc/37/67/24/296376724.db2.gz OZAUHTLSYBKSJM-KAKFPZCNSA-N 2 0 302.462 2.897 20 0 DFADRP CCO[C@H](C[NH2+][C@@H]1CCOC[C@@H]1[C@@H]1CCC[NH2+]1)c1ccccc1 ZINC000423088264 296376803 /nfs/dbraw/zinc/37/68/03/296376803.db2.gz PQHCDUFMCKFPMT-FCGDIQPGSA-N 2 0 318.461 2.511 20 0 DFADRP CSC1(C[NH2+][C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)CC1 ZINC000423088901 296377004 /nfs/dbraw/zinc/37/70/04/296377004.db2.gz RFIFBKYUUZGZIG-GOEBONIOSA-N 2 0 304.459 2.728 20 0 DFADRP c1ccc2c(c1)O[C@]1(CC[NH2+]C1)C[C@@H]2[NH2+]C[C@H]1CCSC1 ZINC000423090916 296377051 /nfs/dbraw/zinc/37/70/51/296377051.db2.gz YXSBMGXJZWDXNU-UKPHBRMFSA-N 2 0 304.459 2.585 20 0 DFADRP C[C@H]([NH3+])C[C@H](C)NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000423091306 296377225 /nfs/dbraw/zinc/37/72/25/296377225.db2.gz ZWBJRLJBHHGJHM-BCVKRFQSSA-N 2 0 307.404 2.507 20 0 DFADRP Fc1ccccc1CCC[NH2+][C@@H]1CCOC[C@H]1[C@H]1CCC[NH2+]1 ZINC000423097345 296378003 /nfs/dbraw/zinc/37/80/03/296378003.db2.gz QTIQLSIUTCEIHF-CGTJXYLNSA-N 2 0 306.425 2.505 20 0 DFADRP c1ccc2c(c1)O[C@]1(CC[NH2+]C1)C[C@H]2[NH2+]C[C@@H]1CCSC1 ZINC000423090917 296377314 /nfs/dbraw/zinc/37/73/14/296377314.db2.gz YXSBMGXJZWDXNU-YSVLISHTSA-N 2 0 304.459 2.585 20 0 DFADRP CC[C@@H]([NH2+][C@H]1CC[C@@H](C(=O)N2CCCCC2)C1)[C@@H]1CCCC[NH2+]1 ZINC000423092614 296377550 /nfs/dbraw/zinc/37/75/50/296377550.db2.gz CQWALDHRQRRNIK-XDNAFOTISA-N 2 0 321.509 2.678 20 0 DFADRP CCOc1ccc(C[NH2+][C@@H]2CCOC[C@H]2[C@@H](C)[NH3+])cc1Cl ZINC000423098712 296378180 /nfs/dbraw/zinc/37/81/80/296378180.db2.gz DJUNPXLPMVAQPA-OSAQELSMSA-N 2 0 312.841 2.581 20 0 DFADRP Cc1ccccc1[C@H]1C[C@H]([NH2+][C@@H]2CCOC[C@H]2[C@@H]2CCC[NH2+]2)C1 ZINC000423106349 296378900 /nfs/dbraw/zinc/37/89/00/296378900.db2.gz RKCMMFDBWDNLKX-CZKCSJLSSA-N 2 0 314.473 2.988 20 0 DFADRP CC(C)(C)[N@@H+]1CC[C@@H](CNC(=O)[C@H]2CCC[NH+]2C2CCCC2)C1 ZINC000616997971 399560542 /nfs/dbraw/zinc/56/05/42/399560542.db2.gz DPYXZCMDXBSCLJ-DOTOQJQBSA-N 2 0 321.509 2.630 20 0 DFADRP C[C@@H](CCC[NH3+])[NH2+][C@H]1CCOc2c(Br)cccc21 ZINC000423110416 296379506 /nfs/dbraw/zinc/37/95/06/296379506.db2.gz HZMVSQDEWKDMCS-GWCFXTLKSA-N 2 0 313.239 2.990 20 0 DFADRP Fc1cc(F)cc(O[C@@H]2CCC[C@@H]2[NH2+][C@@H]2CCC[NH2+]CC2)c1 ZINC000423111644 296379576 /nfs/dbraw/zinc/37/95/76/296379576.db2.gz QXJIYDAELHQBLX-HYVNUMGLSA-N 2 0 310.388 2.996 20 0 DFADRP CCSCCC[NH2+][C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423110379 296379622 /nfs/dbraw/zinc/37/96/22/296379622.db2.gz HTFRNVHVURIDPD-DOTOQJQBSA-N 2 0 306.475 2.975 20 0 DFADRP Fc1cc(F)cc(O[C@@H]2CCC[C@@H]2[NH2+][C@H]2CCC[NH2+]CC2)c1 ZINC000423111643 296379727 /nfs/dbraw/zinc/37/97/27/296379727.db2.gz QXJIYDAELHQBLX-BHYGNILZSA-N 2 0 310.388 2.996 20 0 DFADRP CCC[N@@H+]1CCC[C@H]1CN[C@@H]1CC[NH2+][C@H](c2ccccc2)C1 ZINC000423112936 296379997 /nfs/dbraw/zinc/37/99/97/296379997.db2.gz SVQCTXDVZOTIMN-QYZOEREBSA-N 2 0 301.478 2.944 20 0 DFADRP CC[C@H](NC[C@]1(CO)C[C@H]1c1ccccc1)[C@@H]1CCCC[NH2+]1 ZINC000423119856 296380587 /nfs/dbraw/zinc/38/05/87/296380587.db2.gz DWRXOQKYZMLQFO-VJANTYMQSA-N 2 0 302.462 2.663 20 0 DFADRP CC(C)[N@@H+](C)C[C@@H](C)N[C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423119134 296380781 /nfs/dbraw/zinc/38/07/81/296380781.db2.gz BGXKZJYVUUHIOS-AYBZRNKSSA-N 2 0 317.477 2.561 20 0 DFADRP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1[NH2+][C@H]1CCc2sc(Cl)cc21 ZINC000423123866 296381417 /nfs/dbraw/zinc/38/14/17/296381417.db2.gz NPFYSERIUKQYSD-VGDYDELISA-N 2 0 300.855 2.731 20 0 DFADRP FC1(F)CCCC[C@H](C[NH2+][C@@H]2CCOC[C@@H]2[C@H]2CCC[NH2+]2)C1 ZINC000423121944 296380979 /nfs/dbraw/zinc/38/09/79/296380979.db2.gz BIJJEYLZWVXYFJ-ZJIFWQFVSA-N 2 0 316.436 2.949 20 0 DFADRP CC(C)Oc1ccc([C@@H](C[NH2+][C@H]2CCC[NH2+]CC2)N(C)C)cc1 ZINC000423121515 296381217 /nfs/dbraw/zinc/38/12/17/296381217.db2.gz IPNLHDZSFLOSDZ-PKOBYXMFSA-N 2 0 319.493 2.808 20 0 DFADRP CC(C)Oc1ccc([C@H](C[NH2+][C@@H]2CCC[C@@H]2C[NH3+])N(C)C)cc1 ZINC000423130831 296382186 /nfs/dbraw/zinc/38/21/86/296382186.db2.gz SFNIUBSAVPSKKH-QRQLOZEOSA-N 2 0 319.493 2.794 20 0 DFADRP c1ccc2c(c1)CC1(CCOCC1)[C@@H]2[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000423131140 296382294 /nfs/dbraw/zinc/38/22/94/296382294.db2.gz ZHDRYOGVASRLIP-SJLPKXTDSA-N 2 0 300.446 2.812 20 0 DFADRP OC[C@H](C[NH2+][C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1)c1ccccc1Cl ZINC000423126739 296381598 /nfs/dbraw/zinc/38/15/98/296381598.db2.gz ORHURUGWZCQTPC-OXXUSNJHSA-N 2 0 322.880 2.926 20 0 DFADRP OC[C@]1(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)C[C@H]1c1ccccc1 ZINC000423129379 296381849 /nfs/dbraw/zinc/38/18/49/296381849.db2.gz WYYAUDIHTVZFLX-USYVTKNRSA-N 2 0 314.473 2.663 20 0 DFADRP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]C[C@@]1(CO)C[C@@H]1c1ccccc1 ZINC000423129517 296381894 /nfs/dbraw/zinc/38/18/94/296381894.db2.gz XEHSUENVCIMHKT-NASSWSRMSA-N 2 0 324.468 2.701 20 0 DFADRP [NH3+]C[C@H]1CCC[C@@H]1[NH2+]CCc1cnc(SC2CCCC2)nc1 ZINC000423133375 296382610 /nfs/dbraw/zinc/38/26/10/296382610.db2.gz KDQJAOZTPHVPNO-ZBFHGGJFSA-N 2 0 320.506 2.771 20 0 DFADRP C[C@H]([NH2+]CCc1cnc(SC2CCCC2)nc1)[C@@H]1CC[NH2+]C1 ZINC000423134528 296382633 /nfs/dbraw/zinc/38/26/33/296382633.db2.gz MKMHCVRSCKXCGY-DZGCQCFKSA-N 2 0 320.506 2.641 20 0 DFADRP COc1ccc(CC[NH2+][C@H]2CCC[C@H]2C[NH3+])c(Cl)c1OC ZINC000423133586 296382659 /nfs/dbraw/zinc/38/26/59/296382659.db2.gz KZKOPUKTUNUZSU-STQMWFEESA-N 2 0 312.841 2.617 20 0 DFADRP CCOc1ccc(OCC[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)cc1 ZINC000158541149 197282027 /nfs/dbraw/zinc/28/20/27/197282027.db2.gz NNVNLOFZJCVVNO-VQIMIIECSA-N 2 0 318.461 2.880 20 0 DFADRP Fc1cccc2c1CCC[C@@H]2[NH2+][C@@H]1CCOC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000423144435 296384176 /nfs/dbraw/zinc/38/41/76/296384176.db2.gz GVOOZGJFAINFMZ-XGXHKWSGSA-N 2 0 318.436 2.950 20 0 DFADRP COc1ccc(CC[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)c(Cl)c1OC ZINC000423137738 296383545 /nfs/dbraw/zinc/38/35/45/296383545.db2.gz RIRMXSUEFHHEAF-PBWFPOADSA-N 2 0 324.852 2.772 20 0 DFADRP [NH3+]CC1CCC([NH2+]CCOc2ccc(Cl)c(F)c2)CC1 ZINC000423147347 296384977 /nfs/dbraw/zinc/38/49/77/296384977.db2.gz CJMCYFXXBUBJLE-UHFFFAOYSA-N 2 0 300.805 2.965 20 0 DFADRP CO[C@@H]([C@H](C)[NH2+][C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)C1CC1 ZINC000423149425 296385451 /nfs/dbraw/zinc/38/54/51/296385451.db2.gz AOOFFUDFJRMNBK-KRDRHDLTSA-N 2 0 316.445 2.645 20 0 DFADRP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1[NH2+]C[C@H]1CCC[C@H]1c1ccccc1 ZINC000423156837 296386128 /nfs/dbraw/zinc/38/61/28/296386128.db2.gz LSTXGLIAZWLYTP-HXFGRODQSA-N 2 0 302.462 2.912 20 0 DFADRP COC[C@H](CCC[NH3+])[NH2+]CCOc1ccc(Cl)c(Cl)c1 ZINC000423158040 296386245 /nfs/dbraw/zinc/38/62/45/296386245.db2.gz NQRUDXAGEMXAQC-NSHDSACASA-N 2 0 321.248 2.716 20 0 DFADRP CCOC(=O)C1([C@H](C)[NH2+][C@H](C)c2cccc(C)c2)CC[NH2+]CC1 ZINC000423158249 296386262 /nfs/dbraw/zinc/38/62/62/296386262.db2.gz CQTPLFKPVRFMBC-CVEARBPZSA-N 2 0 318.461 2.967 20 0 DFADRP CCOC(=O)C1([C@@H](C)[NH2+]CC2CCCCCC2)CC[NH2+]CC1 ZINC000423153033 296385810 /nfs/dbraw/zinc/38/58/10/296385810.db2.gz MUFIBQGKGHZFFK-OAHLLOKOSA-N 2 0 310.482 2.868 20 0 DFADRP C[C@@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]CC(C)(C)C1(O)CCCC1 ZINC000423168335 296387152 /nfs/dbraw/zinc/38/71/52/296387152.db2.gz UJWMTEXSBJXGJW-WBVHZDCISA-N 2 0 304.478 2.866 20 0 DFADRP CCOC(=O)C1([C@@H](C)[NH2+][C@H](CC)C2CCCC2)CC[NH2+]CC1 ZINC000423166275 296387249 /nfs/dbraw/zinc/38/72/49/296387249.db2.gz VEGBBTOFASLAGV-GDBMZVCRSA-N 2 0 310.482 2.866 20 0 DFADRP C[C@H]1CC[NH2+]CC[C@H]1[NH2+]CCc1cccc(Br)c1 ZINC000423161342 296386464 /nfs/dbraw/zinc/38/64/64/296386464.db2.gz JAVWVBMHLOBXOK-SWLSCSKDSA-N 2 0 311.267 2.969 20 0 DFADRP COCC[C@H](C)C[NH2+][C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423172862 296387737 /nfs/dbraw/zinc/38/77/37/296387737.db2.gz VSFCNHIBZLVTPU-YXJHDRRASA-N 2 0 304.434 2.505 20 0 DFADRP C[N@@H+]1CCC[C@H](CC[NH2+][C@@H]2CCN[C@@H](c3ccccc3)C2)C1 ZINC000423172992 296387849 /nfs/dbraw/zinc/38/78/49/296387849.db2.gz WJPRCESGBPCOSD-BHIYHBOVSA-N 2 0 301.478 2.801 20 0 DFADRP CC(C)(C)c1ccncc1C[NH2+][C@@H]1CCOC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000423173072 296388066 /nfs/dbraw/zinc/38/80/66/296388066.db2.gz WURCEBHZQZJBJC-BPQIPLTHSA-N 2 0 317.477 2.626 20 0 DFADRP COc1cccc2c1C[C@H]([NH2+][C@H](Cc1ccccc1)[C@H](C)[NH3+])C2 ZINC000423173620 296388287 /nfs/dbraw/zinc/38/82/87/296388287.db2.gz ZLEMFVSTFRWYIW-POZUXBRTSA-N 2 0 310.441 2.711 20 0 DFADRP [NH3+]CCCN[C@@H]1CCCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000423177106 296388418 /nfs/dbraw/zinc/38/84/18/296388418.db2.gz AFVJMVURMRWDFT-IPMKNSEASA-N 2 0 301.478 2.616 20 0 DFADRP Cc1ccccc1[C@H]([NH2+]CCCN1CC[NH2+]CC1)c1ccccc1 ZINC000423178455 296388471 /nfs/dbraw/zinc/38/84/71/296388471.db2.gz GDFFHZLMIHVCGG-OAQYLSRUSA-N 2 0 323.484 2.969 20 0 DFADRP CCc1ccc([C@@H]([NH2+]CCCN2CC[NH2+]CC2)C(C)C)cc1 ZINC000423179168 296388823 /nfs/dbraw/zinc/38/88/23/296388823.db2.gz HHHNECJDPPHCAB-IBGZPJMESA-N 2 0 303.494 2.831 20 0 DFADRP C[C@@H]1C[C@H](C[NH2+][C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)[C@H](C)O1 ZINC000423185540 296389760 /nfs/dbraw/zinc/38/97/60/296389760.db2.gz NXSFCBUVGYTJNU-MOXHTAKSSA-N 2 0 316.445 2.645 20 0 DFADRP C[C@H](Cc1cn(C)c2ccc(F)cc12)[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000423191397 296390377 /nfs/dbraw/zinc/39/03/77/296390377.db2.gz STJFERNWGPXSFF-CZUORRHYSA-N 2 0 303.425 2.980 20 0 DFADRP CCOC(=O)[C@H]1CC[C@H]([NH2+]C2CC[NH2+]CC2)c2ccccc21 ZINC000423191059 296390387 /nfs/dbraw/zinc/39/03/87/296390387.db2.gz UCUUPSGZWQZQDR-IRXDYDNUSA-N 2 0 302.418 2.510 20 0 DFADRP CC[C@H]([NH2+][C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)[C@@H](O)C(C)C ZINC000423191949 296390424 /nfs/dbraw/zinc/39/04/24/296390424.db2.gz UFXSPQGGGSSSBT-OGWHTMIXSA-N 2 0 318.461 2.627 20 0 DFADRP c1ccc(C[N@@H+]2CC[C@H](NC3CC[NH2+]CC3)[C@@H]3CCC[C@@H]32)cc1 ZINC000423194769 296390755 /nfs/dbraw/zinc/39/07/55/296390755.db2.gz YSKOEUXOWTVWRQ-UFYCRDLUSA-N 3 0 313.489 2.771 20 0 DFADRP COC[C@@H](CCC[NH3+])[NH2+][C@H](C)Cc1cn(C)c2ccc(F)cc12 ZINC000423189389 296390059 /nfs/dbraw/zinc/39/00/59/296390059.db2.gz QVURPHKXWBCUFH-CZUORRHYSA-N 2 0 321.440 2.592 20 0 DFADRP CC(C)c1cccc2c1OCCC[C@@H]2[NH2+]CCN1CC[NH2+]CC1 ZINC000423201508 296391851 /nfs/dbraw/zinc/39/18/51/296391851.db2.gz IPUBGCXIWOUMFD-SFHVURJKSA-N 2 0 317.477 2.519 20 0 DFADRP C[N@H+](Cc1ccccc1)C1CCC([NH2+][C@@H]2CCCNC2)CC1 ZINC000423195987 296391319 /nfs/dbraw/zinc/39/13/19/296391319.db2.gz UEXRGQSXXOXZHQ-JLAWEPINSA-N 2 0 301.478 2.771 20 0 DFADRP C[C@@H]([NH2+]CCN1CC[NH2+]CC1)c1ccc(-c2cccs2)cc1 ZINC000423204867 296392199 /nfs/dbraw/zinc/39/21/99/296392199.db2.gz OVIHGJWNVSZBQM-OAHLLOKOSA-N 2 0 315.486 2.971 20 0 DFADRP [NH3+]C1(CNC2CC[NH+](Cc3ccccn3)CC2)CCCCCC1 ZINC000423205927 296392222 /nfs/dbraw/zinc/39/22/22/296392222.db2.gz WFNLECCFVMPDEN-UHFFFAOYSA-N 2 0 316.493 2.687 20 0 DFADRP CC(C)c1ccc2c(c1)[C@@H]([NH2+]CCN1CC[NH2+]CC1)CCCO2 ZINC000423206320 296392345 /nfs/dbraw/zinc/39/23/45/296392345.db2.gz QJUKXMCAURPADA-SFHVURJKSA-N 2 0 317.477 2.519 20 0 DFADRP COCCOc1ccc([C@H](C)[NH2+][C@@H](C)[C@H]2CCC[NH2+]C2)cc1 ZINC000423207489 296392524 /nfs/dbraw/zinc/39/25/24/296392524.db2.gz CTEPGBNNPOINBY-ZOBUZTSGSA-N 2 0 306.450 2.751 20 0 DFADRP CC(C)c1ccc2c(c1)[C@@H]([NH2+]CCN1CC[NH2+]CC1)CCC2 ZINC000423206322 296392528 /nfs/dbraw/zinc/39/25/28/296392528.db2.gz QKAAKLFYNWSTSC-IBGZPJMESA-N 2 0 301.478 2.682 20 0 DFADRP Cc1nn(C)c2sc([C@H](C)[NH2+][C@H](C)[C@@H]3CCC[NH2+]C3)cc12 ZINC000423211435 296392725 /nfs/dbraw/zinc/39/27/25/296392725.db2.gz HJUFGJJMVFORAP-KGYLQXTDSA-N 2 0 306.479 2.982 20 0 DFADRP C[C@H]([NH2+][C@@H](C)[C@H]1CCC[NH2+]C1)c1ccc(OCC[NH+](C)C)cc1 ZINC000423210968 296392753 /nfs/dbraw/zinc/39/27/53/296392753.db2.gz GUZKFLSAMLOSKM-BQFCYCMXSA-N 3 0 319.493 2.666 20 0 DFADRP COC(=O)CCC[C@@H]1CCC[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000423211180 296392838 /nfs/dbraw/zinc/39/28/38/296392838.db2.gz IEWFHNQOFCQAFX-HCMIALLCSA-N 2 0 308.466 2.761 20 0 DFADRP Clc1ccc2c(c1)[C@H]([NH2+]CCN1CC[NH2+]CC1)CCCC2 ZINC000423201384 296391955 /nfs/dbraw/zinc/39/19/55/296391955.db2.gz ILSUPYMHJDSOTQ-QGZVFWFLSA-N 2 0 307.869 2.602 20 0 DFADRP COc1ccc(C[C@@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)c(C)c1OC ZINC000423214090 296393044 /nfs/dbraw/zinc/39/30/44/296393044.db2.gz LVSPHXADQANYSP-AJSFGMTHSA-N 2 0 318.461 2.816 20 0 DFADRP C[C@H]([NH2+][C@@H](C)[C@H]1CCC[NH2+]C1)c1cccc(OCC[NH+](C)C)c1 ZINC000423218070 296393779 /nfs/dbraw/zinc/39/37/79/296393779.db2.gz RHKSFAVRRRKSEU-BQFCYCMXSA-N 3 0 319.493 2.666 20 0 DFADRP CC(C)NC(=O)Nc1ccc([C@@H](C)[NH2+]C[C@@H]2CCC[NH2+]C2)cc1 ZINC000423218464 296393794 /nfs/dbraw/zinc/39/37/94/296393794.db2.gz VPBLXGHWYXAGQX-HUUCEWRRSA-N 2 0 318.465 2.867 20 0 DFADRP Cc1c([C@@H](C)[NH2+]CC[C@@H]2CC[NH2+]C2)cnn1-c1ccc(F)cc1 ZINC000423240324 296396073 /nfs/dbraw/zinc/39/60/73/296396073.db2.gz CFHZHIKODMBZOP-HIFRSBDPSA-N 2 0 316.424 2.970 20 0 DFADRP CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)[C@H]2CCCC[NH+]2CC)C1 ZINC000347812916 285185908 /nfs/dbraw/zinc/18/59/08/285185908.db2.gz JWKSMXFFSIJFNP-DLBZAZTESA-N 2 0 323.525 2.878 20 0 DFADRP COC[C@H]([NH2+]CC[C@@H]1CC[NH2+]C1)c1cccc(C(F)(F)F)c1 ZINC000423242668 296396164 /nfs/dbraw/zinc/39/61/64/296396164.db2.gz FNECHHLXOQAFFP-WFASDCNBSA-N 2 0 316.367 2.982 20 0 DFADRP COc1ccc2c(c1)[C@H]([NH2+]CC[C@H]1CCC[NH2+]C1)CCCO2 ZINC000423255138 296397093 /nfs/dbraw/zinc/39/70/93/296397093.db2.gz AWFNINXPJSOBKM-RHSMWYFYSA-N 2 0 304.434 2.888 20 0 DFADRP Brc1ccc2c(c1)CC[C@H]([NH2+]CC[C@H]1CC[NH2+]C1)C2 ZINC000423254720 296397169 /nfs/dbraw/zinc/39/71/69/296397169.db2.gz ZGUURGZFDDAELT-WBMJQRKESA-N 2 0 323.278 2.896 20 0 DFADRP C[NH2+]C[C@H](C)C[NH2+][C@H]1CCc2sc(Br)cc21 ZINC000423256595 296397380 /nfs/dbraw/zinc/39/73/80/296397380.db2.gz CCQDKOFEEFZUFS-WPRPVWTQSA-N 2 0 303.269 2.943 20 0 DFADRP C[C@@H]([NH2+]CC[C@H]1CCC[NH2+]C1)c1cccc(N2CCCC2=O)c1 ZINC000423257071 296397515 /nfs/dbraw/zinc/39/75/15/296397515.db2.gz HJZVKVMVTADZAU-HZPDHXFCSA-N 2 0 315.461 2.854 20 0 DFADRP Fc1ccc([C@H]([NH2+]CC[C@H]2CCC[NH2+]C2)c2cnccn2)cc1 ZINC000423260324 296397637 /nfs/dbraw/zinc/39/76/37/296397637.db2.gz PYZVOQATJWPLSF-KDOFPFPSSA-N 2 0 314.408 2.684 20 0 DFADRP CC(C)C[C@@H](C[NH3+])N[C@@H](C)c1cccc(OCC[NH+](C)C)c1 ZINC000423258149 296397716 /nfs/dbraw/zinc/39/77/16/296397716.db2.gz BDNKARQKZKCFKC-RDJZCZTQSA-N 2 0 307.482 2.651 20 0 DFADRP [NH3+]CCCOCC[NH2+]Cc1cc(C(F)(F)F)ccc1Cl ZINC000629399370 399593750 /nfs/dbraw/zinc/59/37/50/399593750.db2.gz RHGYIXPTZXJQOS-UHFFFAOYSA-N 2 0 310.747 2.814 20 0 DFADRP Cc1c([C@H](C)[NH2+]CC[C@@H]2CCC[NH2+]C2)nnn1-c1ccccc1 ZINC000423264768 296398599 /nfs/dbraw/zinc/39/85/99/296398599.db2.gz YYVGLWYKDNPTGV-HOCLYGCPSA-N 2 0 313.449 2.616 20 0 DFADRP CC(C)C[C@@H](C[NH3+])N[C@H](C)c1cccc(N2CCCC2=O)c1 ZINC000423267906 296398603 /nfs/dbraw/zinc/39/86/03/296398603.db2.gz UDGAPOUTWBZHCF-ZBFHGGJFSA-N 2 0 303.450 2.837 20 0 DFADRP C[C@H]([NH2+][C@H]1CCC[C@H]1C[NH3+])c1ccc(-n2cncn2)cc1Cl ZINC000423264894 296398709 /nfs/dbraw/zinc/39/87/09/296398709.db2.gz CLXWIRTZSYIHOO-MKBNYLNASA-N 2 0 319.840 2.699 20 0 DFADRP C[C@H]([NH2+][C@H]1CCCC[C@H]1C[NH3+])c1cccc(OCC[NH+](C)C)c1 ZINC000423276823 296399803 /nfs/dbraw/zinc/39/98/03/296399803.db2.gz NIJGSDPOOWJRLK-IEZWGBDMSA-N 3 0 319.493 2.795 20 0 DFADRP COC(=O)C[C@@H]1CC[C@H]([NH2+]CC[NH2+]C2CCCCCC2)[C@@H]1C ZINC000423276915 296399929 /nfs/dbraw/zinc/39/99/29/296399929.db2.gz NMNRFVZAGQBICJ-VYDXJSESSA-N 2 0 310.482 2.866 20 0 DFADRP CCc1ccc(C[NH+]2CCC(CC[NH+]3CCOCC3)CC2)cn1 ZINC000347843759 285202283 /nfs/dbraw/zinc/20/22/83/285202283.db2.gz JKUZTNBUCJKPDG-UHFFFAOYSA-N 2 0 317.477 2.578 20 0 DFADRP C[C@H]([NH2+]C[C@@H]1CCCCO1)c1cccc(OCC[NH+](C)C)c1 ZINC000156404256 197109970 /nfs/dbraw/zinc/10/99/70/197109970.db2.gz VKMUMGVWDVCUGZ-YJBOKZPZSA-N 2 0 306.450 2.847 20 0 DFADRP COc1ccc2c(c1)C[C@H]([NH2+]Cc1ccc([C@@H](C)[NH3+])cc1)CO2 ZINC000423291781 296401775 /nfs/dbraw/zinc/40/17/75/296401775.db2.gz JVAAQYHKYYHQJS-DYVFJYSZSA-N 2 0 312.413 2.808 20 0 DFADRP CC[NH+](CC)Cc1ccccc1C[NH2+]Cc1cnc2ccnn2c1 ZINC000624212039 399599015 /nfs/dbraw/zinc/59/90/15/399599015.db2.gz NWMZXHVACYSQBS-UHFFFAOYSA-N 2 0 323.444 2.861 20 0 DFADRP [NH3+][C@H](C(=O)Nc1cccc(C[NH+]2CCCCC2)c1)C1CCC1 ZINC000423317055 296403558 /nfs/dbraw/zinc/40/35/58/296403558.db2.gz BHRMVHVLPHRIIR-KRWDZBQOSA-N 2 0 301.434 2.738 20 0 DFADRP C[C@@H]([NH2+]C[C@@]1(C)CCC[NH2+]C1)c1cccc(N2CCCC2=O)c1 ZINC000423320021 296403998 /nfs/dbraw/zinc/40/39/98/296403998.db2.gz DYJKKVGOXKKUHX-BEFAXECRSA-N 2 0 315.461 2.854 20 0 DFADRP Brc1ccc2c(c1)CC[C@@H]([NH2+]CC1=CC[NH2+]CC1)C2 ZINC000423345431 296406569 /nfs/dbraw/zinc/40/65/69/296406569.db2.gz OBQIIVCVPSCMCJ-MRXNPFEDSA-N 2 0 321.262 2.816 20 0 DFADRP Fc1ccc2c(c1Br)CC[C@@H]2[NH2+]C[C@@H]1CC[NH2+]C1 ZINC000423349256 296407391 /nfs/dbraw/zinc/40/73/91/296407391.db2.gz VFTKVDZSDINVFL-RNCFNFMXSA-N 2 0 313.214 2.775 20 0 DFADRP Brc1ccc2c(c1)[C@H]([NH2+]CC1=CC[NH2+]CC1)CC2 ZINC000423356351 296407670 /nfs/dbraw/zinc/40/76/70/296407670.db2.gz QLYKTJDXDCCHAK-OAHLLOKOSA-N 2 0 307.235 2.946 20 0 DFADRP C[C@H]([NH2+][C@@H]1CO[C@@H](C2CC2)C1)c1ccc(OCC[NH+](C)C)cc1 ZINC000624221892 399602524 /nfs/dbraw/zinc/60/25/24/399602524.db2.gz KLFVKCVWCWNNOA-UCLAIMLFSA-N 2 0 318.461 2.845 20 0 DFADRP COc1cccc(C[C@H]([NH2+]C[C@]2(C)CCC[NH2+]C2)C2CC2)c1 ZINC000423347490 296407142 /nfs/dbraw/zinc/40/71/42/296407142.db2.gz RJWIJLFKGLERKV-RBUKOAKNSA-N 2 0 302.462 2.996 20 0 DFADRP C[C@H](Cc1ccccc1)[NH+]1CCC(NCC[C@H]2CCC[NH2+]2)CC1 ZINC000423354856 296407880 /nfs/dbraw/zinc/40/78/80/296407880.db2.gz HFFZLMFGSMLXPA-IEBWSBKVSA-N 2 0 315.505 2.814 20 0 DFADRP COc1ccc(CCC[NH2+][C@H]2C[C@@H](C)[N@H+](C)C[C@H]2C)cc1OC ZINC000155201363 197032596 /nfs/dbraw/zinc/03/25/96/197032596.db2.gz SQUOATIARKSAQX-INMHGKMJSA-N 2 0 320.477 2.955 20 0 DFADRP COCCOc1ccc([C@H](C)[NH2+][C@@H]2CC[NH2+][C@H](C)C2)cc1OC ZINC000423368169 296409367 /nfs/dbraw/zinc/40/93/67/296409367.db2.gz DTOTYDMNGXIMRE-IJEWVQPXSA-N 2 0 322.449 2.512 20 0 DFADRP CCO[C@@H]1C[C@@H]([NH2+]CC2(COC)CC[NH2+]CC2)C1(CC)CC ZINC000423396344 296412204 /nfs/dbraw/zinc/41/22/04/296412204.db2.gz BIUBVLVPTAPAAC-HZPDHXFCSA-N 2 0 312.498 2.576 20 0 DFADRP COCC1(C[NH2+][C@@H]2CCSc3ccc(F)cc32)CC[NH2+]CC1 ZINC000423401926 296412884 /nfs/dbraw/zinc/41/28/84/296412884.db2.gz WMJAMBSBQLJTTI-OAHLLOKOSA-N 2 0 324.465 2.968 20 0 DFADRP CCC[NH+]1CCC([NH2+]CCNC(=O)c2ccc(Cl)cc2)CC1 ZINC000006879303 542417717 /nfs/dbraw/zinc/41/77/17/542417717.db2.gz NSTBBSCARQZBLU-UHFFFAOYSA-N 2 0 323.868 2.534 20 0 DFADRP CC(C)(C)C[C@H]([NH2+]C[C@H]1C[NH2+]C[C@@H]1O)c1ccc(Cl)cc1 ZINC000423409969 296413858 /nfs/dbraw/zinc/41/38/58/296413858.db2.gz RGDMXBLIXKNHTA-KBMXLJTQSA-N 2 0 310.869 2.987 20 0 DFADRP COCC1(C[NH2+][C@H](C)c2csc(C(C)C)n2)CC[NH2+]CC1 ZINC000423413761 296414268 /nfs/dbraw/zinc/41/42/68/296414268.db2.gz ZXZKRIHCMXXHJK-CYBMUJFWSA-N 2 0 311.495 2.933 20 0 DFADRP C[C@H](CC(=O)Nc1ccccc1)[NH2+]C[C@H]1CC[C@H](C[NH3+])CC1 ZINC000423415749 296414680 /nfs/dbraw/zinc/41/46/80/296414680.db2.gz BAIOFEDGKJRZIJ-BZUAXINKSA-N 2 0 303.450 2.758 20 0 DFADRP CCc1ccc([C@H](C)[NH2+]CC(C)(C)N2CC[NH+](C)CC2)s1 ZINC000041203180 542435236 /nfs/dbraw/zinc/43/52/36/542435236.db2.gz DINUEWFZMIIDPE-AWEZNQCLSA-N 2 0 309.523 2.987 20 0 DFADRP Cc1c([C@@H](C)[NH2+][C@@H](C)CCCC[NH3+])nnn1-c1ccccc1 ZINC000423425843 296415565 /nfs/dbraw/zinc/41/55/65/296415565.db2.gz HGWPUSNQJZWGJG-UONOGXRCSA-N 2 0 301.438 2.744 20 0 DFADRP C[C@H]([NH3+])c1ccc(C(=O)N2CC[C@H](C[NH+]3CCCCC3)C2)cc1 ZINC000423447257 296417211 /nfs/dbraw/zinc/41/72/11/296417211.db2.gz UCNJZXRRGPMGBV-JKSUJKDBSA-N 2 0 315.461 2.654 20 0 DFADRP CCOC(=O)CC(C)(C)CC[N@@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC000602876819 399612367 /nfs/dbraw/zinc/61/23/67/399612367.db2.gz BNUGDYLUUPLGNU-UHFFFAOYSA-N 2 0 310.482 2.774 20 0 DFADRP O[C@@H]1C[NH2+]C[C@@H]1C[NH2+][C@H]1CCC[C@H](c2cccc(Cl)c2)C1 ZINC000423440751 296416988 /nfs/dbraw/zinc/41/69/88/296416988.db2.gz VZSKEQDZHWDKGM-HDEZJCGLSA-N 2 0 308.853 2.536 20 0 DFADRP C[C@H](CC(=O)N(C)c1ccccc1)[NH2+]C[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000423459745 296418230 /nfs/dbraw/zinc/41/82/30/296418230.db2.gz LVDZNIZKRWJEKR-BZUAXINKSA-N 2 0 303.450 2.535 20 0 DFADRP C[C@H]([NH2+]C[C@H]1CCC[C@H]([NH3+])C1)c1cccc(N2CCCC2=O)c1 ZINC000423462923 296418594 /nfs/dbraw/zinc/41/85/94/296418594.db2.gz PTDOHEIJAUBYRW-ZOBUZTSGSA-N 2 0 315.461 2.982 20 0 DFADRP C[C@H](CCC[NH3+])[NH2+]C1CCC2(CC1)c1ccccc1NC2=O ZINC000423454194 296417826 /nfs/dbraw/zinc/41/78/26/296417826.db2.gz LGWUETHDXNNWJR-WRSVWVKZSA-N 2 0 301.434 2.536 20 0 DFADRP C[C@H](CCC[NH3+])[NH2+]C1CC[NH+]([C@@H](C)Cc2ccccc2)CC1 ZINC000423457379 296418101 /nfs/dbraw/zinc/41/81/01/296418101.db2.gz OWYYPSVVVJBPFL-SJORKVTESA-N 3 0 303.494 2.799 20 0 DFADRP COCCc1nc(C)c([C@H](C)[NH2+]C[C@@H]2CCC[C@@H]([NH3+])C2)s1 ZINC000423477996 296420099 /nfs/dbraw/zinc/42/00/99/296420099.db2.gz SUUMXGIFCQDZKB-IACUBPJLSA-N 2 0 311.495 2.809 20 0 DFADRP CC(=O)N1CC[C@H]([NH2+]CCC[C@@H]2CCC[NH2+]2)c2ccccc2C1 ZINC000423491293 296421591 /nfs/dbraw/zinc/42/15/91/296421591.db2.gz YXSUWIIJVDJPOL-HKUYNNGSSA-N 2 0 315.461 2.602 20 0 DFADRP C[C@@H]([NH2+]CC1(N)CC[NH+](Cc2ccccc2)CC1)[C@@H]1C[C@H]1C ZINC000423533017 296427186 /nfs/dbraw/zinc/42/71/86/296427186.db2.gz WJAUVCCXDVBDPC-JFIYKMOQSA-N 2 0 301.478 2.614 20 0 DFADRP CO[C@H](Cc1ccccc1)C[N@@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000296673772 533208916 /nfs/dbraw/zinc/20/89/16/533208916.db2.gz HGSLHYAVCSQGKB-MOPGFXCFSA-N 2 0 302.462 2.662 20 0 DFADRP C[C@H]([NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)c1cnn(Cc2ccccc2)c1 ZINC000423552601 296429074 /nfs/dbraw/zinc/42/90/74/296429074.db2.gz VKIBFUJMLBPLHD-ZNWBIBPKSA-N 2 0 324.472 2.970 20 0 DFADRP OC[C@H]1CCC[N@@H+]1CCCC[NH2+][C@@H]1CCc2c1c(F)ccc2F ZINC000269901163 285290759 /nfs/dbraw/zinc/29/07/59/285290759.db2.gz GRUYXIQDQXPAJM-CXAGYDPISA-N 2 0 324.415 2.779 20 0 DFADRP C[C@H](C[N@H+](C)CCN(C)C1CC[NH+](C)CC1)c1ccc(F)cc1 ZINC000289560265 221068429 /nfs/dbraw/zinc/06/84/29/221068429.db2.gz YNSFCETWCOMCTK-MRXNPFEDSA-N 2 0 321.484 2.887 20 0 DFADRP Cc1cc(N2CC[NH+](C[C@@H]3CCCO3)CC2)c2ccccc2[nH+]1 ZINC000078548367 542481606 /nfs/dbraw/zinc/48/16/06/542481606.db2.gz LRTLNXSQYUAEGG-INIZCTEOSA-N 2 0 311.429 2.844 20 0 DFADRP CO[C@H](C[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1)c1ccc(F)cc1 ZINC000629516608 399633012 /nfs/dbraw/zinc/63/30/12/399633012.db2.gz LNTCBDQXTAREPJ-KBAYOESNSA-N 2 0 306.425 2.977 20 0 DFADRP O[C@@H]1CCC[C@@H]1[NH+]1CCC([NH2+][C@H]2CCc3ccccc32)CC1 ZINC000271497485 285316521 /nfs/dbraw/zinc/31/65/21/285316521.db2.gz LMHJWIRYTZQUKS-GBESFXJTSA-N 2 0 300.446 2.641 20 0 DFADRP FC(F)CN1CCC[C@@H]1C[NH2+][C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1 ZINC000629520852 399634231 /nfs/dbraw/zinc/63/42/31/399634231.db2.gz XXPUZAGFXYLPDY-QKPAOTATSA-N 2 0 315.452 2.616 20 0 DFADRP CC[C@@H]1[NH2+]CC[C@H]1C(=O)NCc1ccccc1C[NH+](CC)CC ZINC000289833866 221257238 /nfs/dbraw/zinc/25/72/38/221257238.db2.gz DSEUUTJCTFZDND-MSOLQXFVSA-N 2 0 317.477 2.533 20 0 DFADRP CCC[NH+]1CCC([NH2+]C[C@]2(CO)C[C@@H]2c2ccccc2)CC1 ZINC000289855574 221271822 /nfs/dbraw/zinc/27/18/22/221271822.db2.gz QSXMSJDXBFRCAI-MOPGFXCFSA-N 2 0 302.462 2.617 20 0 DFADRP CC[C@@H]1[NH2+]CC[C@H]1N[C@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000629527410 399636837 /nfs/dbraw/zinc/63/68/37/399636837.db2.gz VCSDLLAHXSHYGU-XGXHKWSGSA-N 2 0 301.478 2.627 20 0 DFADRP CC[C@@H]1[NH2+]CC[C@H]1N[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000629527542 399636939 /nfs/dbraw/zinc/63/69/39/399636939.db2.gz YDAGVOPUHIEAKP-UHZRXMQZSA-N 2 0 313.489 2.912 20 0 DFADRP C[NH2+]CCOCC[NH2+][C@H]1CCCC[C@@H]1c1ccc(OC)c(F)c1 ZINC000629529829 399637438 /nfs/dbraw/zinc/63/74/38/399637438.db2.gz NRFIIMXITPLZOM-WBVHZDCISA-N 2 0 324.440 2.686 20 0 DFADRP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)NC[C@@H](c1ccsc1)[NH+](CC)CC ZINC000289957014 221341478 /nfs/dbraw/zinc/34/14/78/221341478.db2.gz MPEPGYLLOVHISA-JYJNAYRXSA-N 2 0 323.506 2.635 20 0 DFADRP C[NH2+]CCOCC[NH2+][C@@H](C)c1csc(-c2ccccc2F)n1 ZINC000629530241 399637884 /nfs/dbraw/zinc/63/78/84/399637884.db2.gz AJJVKCJVGNTAOX-LBPRGKRZSA-N 2 0 323.437 2.836 20 0 DFADRP C[NH2+]CCOCC[NH2+][C@@H]1CCC[C@H]1Cc1ccc(Cl)cc1 ZINC000629530943 399638000 /nfs/dbraw/zinc/63/80/00/399638000.db2.gz VVPDOIAGSVPJKL-DOTOQJQBSA-N 2 0 310.869 2.877 20 0 DFADRP Cc1nc(C(C)C)ccc1C[NH+]1CCC([C@@H]2OCC[C@H]2[NH3+])CC1 ZINC000629532670 399638040 /nfs/dbraw/zinc/63/80/40/399638040.db2.gz LOEACGVAQWHZBW-MJGOQNOKSA-N 2 0 317.477 2.842 20 0 DFADRP [NH3+][C@@H]1CCCO[C@H]1C1CC[NH+](Cc2cc(O)ccc2Cl)CC1 ZINC000629535328 399638781 /nfs/dbraw/zinc/63/87/81/399638781.db2.gz DCJZSYWPPHCQOG-SJORKVTESA-N 2 0 324.852 2.764 20 0 DFADRP Cc1cc([C@@H](C)[NH2+]CCOCCC[NH3+])sc1Br ZINC000629537422 399640393 /nfs/dbraw/zinc/64/03/93/399640393.db2.gz JAHQPCNOYIDILA-SNVBAGLBSA-N 2 0 321.284 2.835 20 0 DFADRP [NH3+]CCCOCC[NH2+][C@H](c1ccccc1)c1ccc(F)cc1 ZINC000629538695 399640556 /nfs/dbraw/zinc/64/05/56/399640556.db2.gz NIUVBXDHZJHHJO-GOSISDBHSA-N 2 0 302.393 2.870 20 0 DFADRP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+][C@@H]1CCO[C@H]1c1ccc(=O)[nH]c1 ZINC000629538664 399640049 /nfs/dbraw/zinc/64/00/49/399640049.db2.gz OEXYMQFKENNPBN-IIVZCXTMSA-N 2 0 319.449 2.518 20 0 DFADRP Cc1nc(-c2cccnc2)sc1[C@H](C)[NH2+]CCOCCC[NH3+] ZINC000629541485 399641754 /nfs/dbraw/zinc/64/17/54/399641754.db2.gz PGQSYOHEYBIXPV-LBPRGKRZSA-N 2 0 320.462 2.530 20 0 DFADRP C[C@@H]1CC2(C[N@@H+]1Cc1ccncc1Br)CC[NH2+]CC2 ZINC000629540714 399641923 /nfs/dbraw/zinc/64/19/23/399641923.db2.gz WVDSCIAKJXMEGY-GFCCVEGCSA-N 2 0 324.266 2.808 20 0 DFADRP O[C@H](C[NH2+][C@H]1CC[C@@H](c2cccc(F)c2)C1)C[NH+]1CCCC1 ZINC000629578927 399653318 /nfs/dbraw/zinc/65/33/18/399653318.db2.gz NUELLEBABQKYQU-BPQIPLTHSA-N 2 0 306.425 2.508 20 0 DFADRP O[C@H](C[NH2+][C@H]1C[C@H](c2cccc(Cl)c2)C1)C[NH+]1CCCC1 ZINC000629576681 399653651 /nfs/dbraw/zinc/65/36/51/399653651.db2.gz BRWMQBAOQGAIQX-DJIMGWMZSA-N 2 0 308.853 2.632 20 0 DFADRP COc1ccc([C@@H](C[NH3+])C[N@@H+]2CCc3c(O)cccc3C2)cc1 ZINC000629582281 399654611 /nfs/dbraw/zinc/65/46/11/399654611.db2.gz RBIVQECKYJTGLS-INIZCTEOSA-N 2 0 312.413 2.501 20 0 DFADRP c1ccc(CN2CCCO[C@H](C[NH+](C3CC3)C3CC3)C2)cc1 ZINC000625842555 399662625 /nfs/dbraw/zinc/66/26/25/399662625.db2.gz LBVLJRYVMVMWLU-IBGZPJMESA-N 2 0 300.446 2.904 20 0 DFADRP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCC[N@@H+]2Cc2cc(O)ccc2Cl)C1 ZINC000629549098 399644014 /nfs/dbraw/zinc/64/40/14/399644014.db2.gz QDWUYVSBPHUZHF-KBRIMQKVSA-N 2 0 324.852 2.906 20 0 DFADRP C[C@@H]1[NH2+]CC[C@H]1N[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H]2CCC[C@H]21 ZINC000629548268 399644151 /nfs/dbraw/zinc/64/41/51/399644151.db2.gz YIDYTWFUHICHBT-LFAQGZIKSA-N 2 0 313.489 2.770 20 0 DFADRP Cc1ccc(CC[N@@H+]2CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C2)cc1 ZINC000629560654 399649427 /nfs/dbraw/zinc/64/94/27/399649427.db2.gz GEVPELHYWWDSRU-LSDHHAIUSA-N 2 0 300.368 2.997 20 0 DFADRP CCC[NH+](CCC)CCCC(=O)N[C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000617352553 399675553 /nfs/dbraw/zinc/67/55/53/399675553.db2.gz ZAQBQURJRVMUAH-INIZCTEOSA-N 2 0 311.514 2.878 20 0 DFADRP C[C@@H]1CC(F)(F)CCN1C[C@@H](O)C[N@H+](C)Cc1ccccc1 ZINC000625979727 399707917 /nfs/dbraw/zinc/70/79/17/399707917.db2.gz SQMPBXNRFTWNSR-ZBFHGGJFSA-N 2 0 312.404 2.599 20 0 DFADRP COC1(C[NH2+]C2CC[NH+]([C@@H]3CCCC[C@H]3C)CC2)CCOCC1 ZINC000090650851 542538127 /nfs/dbraw/zinc/53/81/27/542538127.db2.gz DNVNYMCDDUCCIK-SJLPKXTDSA-N 2 0 324.509 2.815 20 0 DFADRP Cc1ncc([C@H](C)[NH2+]Cc2ccnc(OCC[NH+](C)C)c2)s1 ZINC000090937491 542538730 /nfs/dbraw/zinc/53/87/30/542538730.db2.gz NNAZSMNIWCWANQ-LBPRGKRZSA-N 2 0 320.462 2.638 20 0 DFADRP COC1(C[NH2+]C2CC[NH+]([C@@H]3CCC[C@H](C)C3)CC2)CCOCC1 ZINC000090653298 542539292 /nfs/dbraw/zinc/53/92/92/542539292.db2.gz IEBIUKSVPKTYCC-FUHWJXTLSA-N 2 0 324.509 2.815 20 0 DFADRP C[NH+]1CCN(c2ccc(C[NH2+][C@H]3CC[C@H]3C(C)(C)C)cn2)CC1 ZINC000348092013 285341738 /nfs/dbraw/zinc/34/17/38/285341738.db2.gz ZUZVHNAOJGVSLQ-SJORKVTESA-N 2 0 316.493 2.748 20 0 DFADRP CC1(C)CC(NC(=O)CCC[NH+]2CCC([NH3+])CC2)CC(C)(C)C1 ZINC000423754836 296443930 /nfs/dbraw/zinc/44/39/30/296443930.db2.gz ITFUHDSRDKJMFA-UHFFFAOYSA-N 2 0 323.525 2.911 20 0 DFADRP CCCC[N@H+](C)CC1CC[NH+](Cc2ccc(C(N)=O)cc2)CC1 ZINC000052209801 425884103 /nfs/dbraw/zinc/88/41/03/425884103.db2.gz XOGIRSUBPAJROO-UHFFFAOYSA-N 2 0 317.477 2.729 20 0 DFADRP COc1ccccc1N1CC[C@H]([NH2+][C@@H](C)C2CC[NH+](C)CC2)C1 ZINC000119718521 542575161 /nfs/dbraw/zinc/57/51/61/542575161.db2.gz LFRUBDWVTVNOGQ-RDJZCZTQSA-N 2 0 317.477 2.594 20 0 DFADRP C[C@H](C(=O)N(C)[C@@H](C)C1CC[NH+](C)CC1)[C@@H]([NH3+])c1ccccc1 ZINC000423761372 296444520 /nfs/dbraw/zinc/44/45/20/296444520.db2.gz OLUPTXUQRQLIKL-RLFYNMQTSA-N 2 0 317.477 2.511 20 0 DFADRP C[N@@H+]1CCC[C@@H]1CC[NH+]1CC[C@](O)(Cc2cccc(Cl)c2)C1 ZINC000348130117 285369804 /nfs/dbraw/zinc/36/98/04/285369804.db2.gz UUOKTRMAAVIWBH-MSOLQXFVSA-N 2 0 322.880 2.804 20 0 DFADRP CC[NH2+]Cc1cccc(NC(=O)[C@@H](C)[NH+]2CCCCCC2)c1 ZINC000123092575 195542651 /nfs/dbraw/zinc/54/26/51/195542651.db2.gz LUMGTMUFPCEUGM-OAHLLOKOSA-N 2 0 303.450 2.999 20 0 DFADRP C[C@H]1Cc2ccccc2[C@H]1[NH2+]CC1CC[NH+](CCN(C)C)CC1 ZINC000124396397 195637191 /nfs/dbraw/zinc/63/71/91/195637191.db2.gz INGKVZHSGNOSNI-JXFKEZNVSA-N 2 0 315.505 2.783 20 0 DFADRP CC[N@H+](CCc1cncc(C)n1)Cc1ccc(C[NH+](C)C)cc1 ZINC000626063776 399742816 /nfs/dbraw/zinc/74/28/16/399742816.db2.gz PWMRLPMQQICLGZ-UHFFFAOYSA-N 2 0 312.461 2.911 20 0 DFADRP C[C@@H]([NH2+]CC1CC[NH+](C)CC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000309794247 533367045 /nfs/dbraw/zinc/36/70/45/533367045.db2.gz POMUQQPIPJLNTM-XLIONFOSSA-N 3 0 315.505 2.828 20 0 DFADRP C[C@@H]([NH2+]CC1CC[NH+](C)CC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000309794248 533368106 /nfs/dbraw/zinc/36/81/06/533368106.db2.gz POMUQQPIPJLNTM-YLJYHZDGSA-N 3 0 315.505 2.828 20 0 DFADRP OC[C@H]1CCC[N@@H+]1CCCC[NH2+][C@H]1CCc2c1cc(F)cc2F ZINC000121333106 542584289 /nfs/dbraw/zinc/58/42/89/542584289.db2.gz QUNGAJMVHFCZIU-KDOFPFPSSA-N 2 0 324.415 2.779 20 0 DFADRP CN(C)[C@@H](CNC(=O)C[N@H+](C)C1CCC1)c1ccccc1Cl ZINC000629942984 399761952 /nfs/dbraw/zinc/76/19/52/399761952.db2.gz GMEDWUJNEGKMGM-INIZCTEOSA-N 2 0 323.868 2.543 20 0 DFADRP CCCc1ccc(C[NH2+]CCN2CC[N@H+](C)C(C)(C)C2)s1 ZINC000621351187 399763817 /nfs/dbraw/zinc/76/38/17/399763817.db2.gz IBRINKZNNUVJNX-UHFFFAOYSA-N 2 0 309.523 2.816 20 0 DFADRP CCC[NH+]1CCC([NH2+]C[C@@H](C)Oc2ccc(OC)cc2)CC1 ZINC000128975223 542621305 /nfs/dbraw/zinc/62/13/05/542621305.db2.gz ZBGJWSBIJYCMHB-OAHLLOKOSA-N 2 0 306.450 2.927 20 0 DFADRP CC(C)[C@H](C[NH2+]C[C@H]1C[C@@H]1c1ccccc1)N1CC[NH+](C)CC1 ZINC000348256543 285453599 /nfs/dbraw/zinc/45/35/99/285453599.db2.gz HYSOAOJUDVPXJL-AQNXPRMDSA-N 2 0 315.505 2.652 20 0 DFADRP CC[NH+](CC)CCC[C@H](C)[NH2+]C1CCN(CC(F)F)CC1 ZINC000131284757 542636867 /nfs/dbraw/zinc/63/68/67/542636867.db2.gz LCMJRIFUPKKTAP-AWEZNQCLSA-N 2 0 305.457 2.816 20 0 DFADRP CC(C)[C@@H](C[NH2+][C@@H]1CCc2ccc(F)cc21)N1CC[NH+](C)CC1 ZINC000132494954 542642339 /nfs/dbraw/zinc/64/23/39/542642339.db2.gz DPFBGDJMKSCZHY-RTBURBONSA-N 2 0 319.468 2.675 20 0 DFADRP CC[NH+](CC)CCCC1CCN(C(=O)C[N@H+](C)C2CCC2)CC1 ZINC000629980058 399779920 /nfs/dbraw/zinc/77/99/20/399779920.db2.gz LUPDUOKPSBDYCW-UHFFFAOYSA-N 2 0 323.525 2.831 20 0 DFADRP CC(C)(C[NH2+][C@@H]1CCO[C@H](C(F)(F)F)C1)C[NH+]1CCCC1 ZINC000348273673 285465746 /nfs/dbraw/zinc/46/57/46/285465746.db2.gz AUANRQANXAMCNA-OLZOCXBDSA-N 2 0 308.388 2.808 20 0 DFADRP COc1cccc(CCC[NH+]2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000151268076 542666305 /nfs/dbraw/zinc/66/63/05/542666305.db2.gz LRFDDOMQKLTNQW-UHFFFAOYSA-N 2 0 311.429 2.845 20 0 DFADRP CC(C)c1ccc([C@H]([NH3+])CNC(=O)[C@@H](C(C)C)[NH+](C)C)cc1 ZINC000151956048 542672020 /nfs/dbraw/zinc/67/20/20/542672020.db2.gz NETFAILIECMIIS-IAGOWNOFSA-N 2 0 305.466 2.512 20 0 DFADRP C[N@H+](Cc1ccccc1)C1CCC([NH2+][C@@H]2CCC[C@H]2O)CC1 ZINC000285162714 131143370 /nfs/dbraw/zinc/14/33/70/131143370.db2.gz MQBNJIDHCQLMPX-CSODTCANSA-N 2 0 302.462 2.933 20 0 DFADRP CCC[NH+]1CCC([NH2+]C[C@H]2CCN(c3ccccc3)C2)CC1 ZINC000152491476 542677556 /nfs/dbraw/zinc/67/75/56/542677556.db2.gz QIKAWYLMCPRIQR-QGZVFWFLSA-N 2 0 301.478 2.977 20 0 DFADRP C[C@@H]([NH2+]Cc1cccc(N2CCCC2=O)c1)C1CC[NH+](C)CC1 ZINC000155314650 542695510 /nfs/dbraw/zinc/69/55/10/542695510.db2.gz AGHCBODAYAIMNO-OAHLLOKOSA-N 2 0 315.461 2.633 20 0 DFADRP C[NH2+]C1(CNC(=O)c2ccc(C[NH+]3CCCCC3)cc2)CCC1 ZINC000629998247 399786703 /nfs/dbraw/zinc/78/67/03/399786703.db2.gz SEBVQAYNUUILRO-UHFFFAOYSA-N 2 0 315.461 2.544 20 0 DFADRP C[C@@H](CCNC(=O)c1ccc(C[NH+]2CCCCC2)cc1)[NH+](C)C ZINC000617748001 399788572 /nfs/dbraw/zinc/78/85/72/399788572.db2.gz JHLOVVYYCJWTOV-INIZCTEOSA-N 2 0 317.477 2.743 20 0 DFADRP CCC[NH+]1CCC([NH2+]CCN2c3ccccc3C[C@H]2C)CC1 ZINC000162721581 542739734 /nfs/dbraw/zinc/73/97/34/542739734.db2.gz SOSPFMIUFUXCIS-MRXNPFEDSA-N 2 0 301.478 2.902 20 0 DFADRP COc1ccc([C@H](C)[C@@H](C)[NH2+]CCN2CCC(OC)CC2)cc1 ZINC000163702504 542743597 /nfs/dbraw/zinc/74/35/97/542743597.db2.gz SNIZTIVRUJVCON-HZPDHXFCSA-N 2 0 320.477 2.888 20 0 DFADRP C[N@@H+]1CCCN(CCC[NH2+]Cc2ccc(F)c(Cl)c2)CC1 ZINC000161994744 542735342 /nfs/dbraw/zinc/73/53/42/542735342.db2.gz ZOFHGRUQUPZCRH-UHFFFAOYSA-N 2 0 313.848 2.596 20 0 DFADRP COc1ccc2c(c1)C[C@H]([NH2+]C[C@@H]1CC[N@@H+](C3CC3)C1)CC2 ZINC000162593807 542737703 /nfs/dbraw/zinc/73/77/03/542737703.db2.gz GKRKXYHUKKAFKC-WMLDXEAASA-N 2 0 300.446 2.626 20 0 DFADRP Cc1ccc([C@@H](CNC(=O)CC[NH2+]C(C)C)[NH+]2CCCC2)cc1 ZINC000166325000 542751876 /nfs/dbraw/zinc/75/18/76/542751876.db2.gz BEXBCXYPVRLFAG-GOSISDBHSA-N 2 0 317.477 2.636 20 0 DFADRP COc1ccc(C[NH2+][C@@H](C)C2CC[NH+](C)CC2)c(OC)c1OC ZINC000164613593 542746042 /nfs/dbraw/zinc/74/60/42/542746042.db2.gz AIHIMESORLEKHA-ZDUSSCGKSA-N 2 0 322.449 2.532 20 0 DFADRP COCCOc1cc(C)ccc1C[NH2+][C@@H](C)C1CC[NH+](C)CC1 ZINC000167659395 542753310 /nfs/dbraw/zinc/75/33/10/542753310.db2.gz AHBLTIQUTFHCJN-INIZCTEOSA-N 2 0 320.477 2.840 20 0 DFADRP CCc1cccc(NC(=O)CN(C)[C@@H]2CC[N@@H+](CC)C[C@@H]2C)c1 ZINC000174769683 542762400 /nfs/dbraw/zinc/76/24/00/542762400.db2.gz UVVRRHLLGOIVCW-MAUKXSAKSA-N 2 0 317.477 2.850 20 0 DFADRP C[NH+](C)CC1CCC([NH2+][C@H]2CCO[C@@H](C(F)(F)F)C2)CC1 ZINC000348372022 285514778 /nfs/dbraw/zinc/51/47/78/285514778.db2.gz HOUJAMWEFPTZHS-CLRIEMFWSA-N 2 0 308.388 2.806 20 0 DFADRP C[NH+](C)CC1CCC([NH2+][C@@H]2CCO[C@H](C(F)(F)F)C2)CC1 ZINC000348372029 285514787 /nfs/dbraw/zinc/51/47/87/285514787.db2.gz HOUJAMWEFPTZHS-PQAZSJQKSA-N 2 0 308.388 2.806 20 0 DFADRP C[NH+](C)C1CCC([NH2+]Cc2ccc3c(c2)OC(F)(F)O3)CC1 ZINC000424164636 296489765 /nfs/dbraw/zinc/48/97/65/296489765.db2.gz COJDIMIGQGMUSB-UHFFFAOYSA-N 2 0 312.360 2.971 20 0 DFADRP CCC1([NH+](C)C)CCN(C(=O)Nc2cccc(C[NH2+]C)c2)CC1 ZINC000632949925 399805608 /nfs/dbraw/zinc/80/56/08/399805608.db2.gz HBRSUPZLLXWSFJ-UHFFFAOYSA-N 2 0 318.465 2.744 20 0 DFADRP C[NH+]1CCN(c2cccc(Cl)c2C[NH2+][C@@H]2CC23CC3)CC1 ZINC000424180981 296491118 /nfs/dbraw/zinc/49/11/18/296491118.db2.gz AEVYXOHXCLGXQD-MRXNPFEDSA-N 2 0 305.853 2.734 20 0 DFADRP CCC1([NH+](C)C)CCN(C(=O)Nc2ccc3c(c2)C[NH2+]C3)CC1 ZINC000632952940 399806480 /nfs/dbraw/zinc/80/64/80/399806480.db2.gz LVTGDYSDDXLZSV-UHFFFAOYSA-N 2 0 316.449 2.628 20 0 DFADRP CCO[C@@H]1C[C@H]([NH2+]C[C@H](O)C[NH+]2CCCCC2)C12CCCCC2 ZINC000181560182 542790338 /nfs/dbraw/zinc/79/03/38/542790338.db2.gz RSXKEUNJXKDLNZ-OKZBNKHCSA-N 2 0 324.509 2.551 20 0 DFADRP [NH3+]C[C@@H](NC(=O)CC[C@H]([NH3+])CC1CCCCC1)C1CCCC1 ZINC000424204247 296492890 /nfs/dbraw/zinc/49/28/90/296492890.db2.gz VBJWALCGZGIMMB-DLBZAZTESA-N 2 0 309.498 2.698 20 0 DFADRP COc1cccc(C[NH2+]CCCC[NH+]2C[C@H](C)O[C@@H](C)C2)c1F ZINC000192674777 542853295 /nfs/dbraw/zinc/85/32/95/542853295.db2.gz HYTRHRRCPQDOCQ-GJZGRUSLSA-N 2 0 324.440 2.813 20 0 DFADRP C[NH+]1CCN(CCC[NH2+][C@@H]2CCSc3c(F)cccc32)CC1 ZINC000192940264 542855644 /nfs/dbraw/zinc/85/56/44/542855644.db2.gz ZGQVZCIPNNWESP-MRXNPFEDSA-N 2 0 323.481 2.590 20 0 DFADRP CCC(CC)(C[NH3+])C(=O)Nc1ccc(OCCC[NH+](C)C)cc1 ZINC000236709950 542896430 /nfs/dbraw/zinc/89/64/30/542896430.db2.gz KGOGATKAZLTSNY-UHFFFAOYSA-N 2 0 321.465 2.721 20 0 DFADRP Cc1ccc([C@H](CNC(=O)[C@H]([NH3+])CC(C)C)[NH+]2CCCC2)cc1 ZINC000236722559 542897032 /nfs/dbraw/zinc/89/70/32/542897032.db2.gz ORIWPECKVRGYTP-MSOLQXFVSA-N 2 0 317.477 2.622 20 0 DFADRP OC[C@@H]1CCC[N@@H+]1CCCC[NH2+][C@H]1CCc2ccc(F)cc21 ZINC000268896395 542961566 /nfs/dbraw/zinc/96/15/66/542961566.db2.gz KFIGENIRJABTKZ-WMZOPIPTSA-N 2 0 306.425 2.640 20 0 DFADRP CC[N@@H+]1CC[C@H](C[NH2+][C@@H]2CCc3cc(OC)c(OC)cc32)C1 ZINC000280146970 542986983 /nfs/dbraw/zinc/98/69/83/542986983.db2.gz PZRDBPIOYLCVKJ-CZUORRHYSA-N 2 0 304.434 2.623 20 0 DFADRP CC[NH+]1CCC(CCNC(=O)Nc2cc(C)cc(C[NH3+])c2)CC1 ZINC000424443032 296510131 /nfs/dbraw/zinc/51/01/31/296510131.db2.gz ZEZCZYWDZSTOSG-UHFFFAOYSA-N 2 0 318.465 2.697 20 0 DFADRP COCC[C@H](C)[N@@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000309982705 543066696 /nfs/dbraw/zinc/06/66/96/543066696.db2.gz VXLXDSXMBLSBMH-WDSOQIARSA-N 2 0 302.462 2.865 20 0 DFADRP COCC[C@H](C)[N@H+]1C[C@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1 ZINC000309982703 543066983 /nfs/dbraw/zinc/06/69/83/543066983.db2.gz VXLXDSXMBLSBMH-QXAKKESOSA-N 2 0 302.462 2.865 20 0 DFADRP C[C@H](CC[NH2+]CC(C)(C)N1CC[NH+](C)CC1)c1ccccc1 ZINC000314258229 543068338 /nfs/dbraw/zinc/06/83/38/543068338.db2.gz YJKCECBDLHKXMA-QGZVFWFLSA-N 2 0 303.494 2.796 20 0 DFADRP C[C@@H]([NH2+]CC(C)(C)N1CC[NH+](C)CC1)c1ccc(F)cc1F ZINC000314272809 543068623 /nfs/dbraw/zinc/06/86/23/543068623.db2.gz ANIIGBIFOOYINE-CYBMUJFWSA-N 2 0 311.420 2.641 20 0 DFADRP CC1(C)Cc2cccc(C[N@@H+]3C[C@@H]4CCC[C@]4(C[NH3+])C3)c2O1 ZINC000319768157 543080343 /nfs/dbraw/zinc/08/03/43/543080343.db2.gz YSNPGNOEMNDRJB-LPHOPBHVSA-N 2 0 300.446 2.961 20 0 DFADRP CCOc1ccc([C@@H](C)[NH2+]CC(C)(C)N2CC[NH+](C)CC2)cc1 ZINC000320233456 543081526 /nfs/dbraw/zinc/08/15/26/543081526.db2.gz XJLADMKHSBRBLW-MRXNPFEDSA-N 2 0 319.493 2.762 20 0 DFADRP COc1cccc(N2CC[NH+](CCCC3CC[NH2+]CC3)CC2)c1 ZINC000321069306 543083922 /nfs/dbraw/zinc/08/39/22/543083922.db2.gz ZONVGFJTVHSUNE-UHFFFAOYSA-N 2 0 317.477 2.597 20 0 DFADRP c1cnn(-c2ccc(C[N@@H+]3CCC[C@H]([C@@H]4CCC[NH2+]4)C3)cc2)c1 ZINC000322151119 543088538 /nfs/dbraw/zinc/08/85/38/543088538.db2.gz ZCLXOXOBEUCOSH-HKUYNNGSSA-N 2 0 310.445 2.836 20 0 DFADRP CCCC[N@H+](C)CC1CC[NH+](CC(=O)NCC(C)(C)C)CC1 ZINC000625088309 399843472 /nfs/dbraw/zinc/84/34/72/399843472.db2.gz HFXRYQARBGDTJB-UHFFFAOYSA-N 2 0 311.514 2.593 20 0 DFADRP CCc1ccc(CC[NH+]2CCN([C@@H]3CCC[N@H+](C)C3)CC2)cc1 ZINC000604390349 399844111 /nfs/dbraw/zinc/84/41/11/399844111.db2.gz WBWMOXBXDYRXQL-HXUWFJFHSA-N 2 0 315.505 2.503 20 0 DFADRP CCCC[N@H+](C)CC1CC[NH+](CCOC2CCOCC2)CC1 ZINC000625088900 399843743 /nfs/dbraw/zinc/84/37/43/399843743.db2.gz KTNBBIXDYBCZBL-UHFFFAOYSA-N 2 0 312.498 2.626 20 0 DFADRP CCc1cccc(C)c1NC(=O)CN1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000323713216 543093669 /nfs/dbraw/zinc/09/36/69/543093669.db2.gz KXJJQVUQKQCAFU-LPHOPBHVSA-N 2 0 315.461 2.557 20 0 DFADRP C[C@H]([NH2+]C1CCC([NH+](C)C)CC1)c1ccc([S@](C)=O)cc1 ZINC000353645724 146699555 /nfs/dbraw/zinc/69/95/55/146699555.db2.gz PTHMXJNGCVYNMK-YBSULGJMSA-N 2 0 308.491 2.947 20 0 DFADRP c1cn(Cc2cccc(C[NH2+][C@@H]3CC[N@@H+]4CCC[C@H]4C3)c2)cn1 ZINC000339066654 543140098 /nfs/dbraw/zinc/14/00/98/543140098.db2.gz CPDLACUFRUNJRR-MOPGFXCFSA-N 2 0 310.445 2.648 20 0 DFADRP CC[NH+](CC)Cc1ccc(C(=O)Nc2cccnc2N(C)C)o1 ZINC000625158531 399854950 /nfs/dbraw/zinc/85/49/50/399854950.db2.gz IPBJFRULGMPSJM-UHFFFAOYSA-N 2 0 316.405 2.835 20 0 DFADRP COCC1CCC([NH2+]CC2(SC)CC[NH+](C)CC2)CC1 ZINC000449340323 297449759 /nfs/dbraw/zinc/44/97/59/297449759.db2.gz VWJRVKNOSKXSPB-UHFFFAOYSA-N 2 0 300.512 2.609 20 0 DFADRP c1ccc(C[NH+]2CCN(CC[NH2+][C@@H]3CC[C@@H]3C3CC3)CC2)cc1 ZINC000348091889 543183119 /nfs/dbraw/zinc/18/31/19/543183119.db2.gz YYIOZWMDHBVVOD-WOJBJXKFSA-N 2 0 313.489 2.582 20 0 DFADRP CC[C@@H]([NH2+]C/C=C\C[NH2+][C@@H](CC)[C@@H]1CCCO1)[C@@H]1CCCO1 ZINC000348366144 543184780 /nfs/dbraw/zinc/18/47/80/543184780.db2.gz URVHUAIKUBUHJF-NTWRGEQPSA-N 2 0 310.482 2.637 20 0 DFADRP Cc1ccc(C[NH2+]C[C@H](C)CN2CC[NH+](C)CC2)cc1Cl ZINC000195441361 292105779 /nfs/dbraw/zinc/10/57/79/292105779.db2.gz NFRMKUKQKCBIBT-AWEZNQCLSA-N 2 0 309.885 2.622 20 0 DFADRP C[N@@H+]1CC[C@H]([NH2+]C[C@](C)(CO)Cc2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000353681115 543237833 /nfs/dbraw/zinc/23/78/33/543237833.db2.gz ADVFDIHXRAXFLE-LWYYNNOASA-N 2 0 316.489 2.690 20 0 DFADRP C1CCC([NH+]2CCC([NH2+][C@@H]3CCOC4(CCOCC4)C3)CC2)C1 ZINC000358315296 543266509 /nfs/dbraw/zinc/26/65/09/543266509.db2.gz GYTWERAJJRVYKT-QGZVFWFLSA-N 2 0 322.493 2.711 20 0 DFADRP FC(F)(F)c1cccc(OCCC[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)c1 ZINC000359273784 543272121 /nfs/dbraw/zinc/27/21/21/543272121.db2.gz JJQGBPMBSTWKIC-BETUJISGSA-N 2 0 314.351 2.626 20 0 DFADRP c1ccc(C[N@H+]2CCC[C@@H](C[NH2+]CC[C@@H]3CCOC3)C2)cc1 ZINC000400611529 543311568 /nfs/dbraw/zinc/31/15/68/543311568.db2.gz LXOUZURBZBSLGI-MOPGFXCFSA-N 2 0 302.462 2.915 20 0 DFADRP Cc1ccc([C@@H]([NH2+]C[C@H](C)CN2CC[NH+](C)CC2)C2CCC2)o1 ZINC000349448756 285864715 /nfs/dbraw/zinc/86/47/15/285864715.db2.gz FEGBXQQFMQGMBL-KXBFYZLASA-N 2 0 319.493 2.902 20 0 DFADRP CCC[N@@H+]1CC[C@H](N[C@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C)C1 ZINC000398181546 543310929 /nfs/dbraw/zinc/31/09/29/543310929.db2.gz KDLPNSNNWOBUAT-IHPCNDPISA-N 2 0 315.505 2.971 20 0 DFADRP C[C@@H]1CCCC[N@@H+]1Cc1ccc(NC(=O)[C@@H]2CC[NH2+]C2)cc1 ZINC000164570412 145224791 /nfs/dbraw/zinc/22/47/91/145224791.db2.gz QAYNOXULCGSAAW-GDBMZVCRSA-N 2 0 301.434 2.609 20 0 DFADRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@@H](C)c1c(C)nn(CC)c1C ZINC000166033863 145232769 /nfs/dbraw/zinc/23/27/69/145232769.db2.gz VEFGIVWPJUOAIZ-XJKSGUPXSA-N 2 0 310.486 2.527 20 0 DFADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1[NH2+][C@@H]1CCN(c2c(F)cccc2F)C1 ZINC000167480838 145240466 /nfs/dbraw/zinc/24/04/66/145240466.db2.gz CQXJHWSMZOMVMV-OEUWWYETSA-N 2 0 323.431 2.862 20 0 DFADRP CC(C)C[C@H]([NH3+])C(=O)Nc1ccc2ccn(CC[NH+](C)C)c2c1 ZINC000169233875 145245491 /nfs/dbraw/zinc/24/54/91/145245491.db2.gz AKPNOCZADDWYMI-INIZCTEOSA-N 2 0 316.449 2.515 20 0 DFADRP C[C@@](O)(C[NH2+]C1CC[NH+](C2CCCC2)CC1)c1ccccc1 ZINC000169166643 145246505 /nfs/dbraw/zinc/24/65/05/145246505.db2.gz CFGVJVMPAQMQGQ-LJQANCHMSA-N 2 0 302.462 2.891 20 0 DFADRP CC(=O)Nc1cccc(C[NH+]2CCC(C[NH+]3CCCC3)CC2)c1 ZINC000171343213 145264469 /nfs/dbraw/zinc/26/44/69/145264469.db2.gz YXUBGKXFOJJUDW-UHFFFAOYSA-N 2 0 315.461 2.953 20 0 DFADRP Cc1ccc(-c2n[nH]cc2C[NH2+][C@@H]2CCC[C@H]([NH+](C)C)C2)o1 ZINC000175008529 145396681 /nfs/dbraw/zinc/39/66/81/145396681.db2.gz LPGSMGLMAPJEMN-CABCVRRESA-N 2 0 302.422 2.941 20 0 DFADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCC(CC)([NH+]2CCCC2)CC1 ZINC000633953987 399965038 /nfs/dbraw/zinc/96/50/38/399965038.db2.gz UXWKRHYMRGWKCA-QGZVFWFLSA-N 2 0 321.509 2.728 20 0 DFADRP Cc1cc(C)c(/C=C/C[NH2+]CCCN2CC[NH+](C)CC2)c(C)c1 ZINC000631035726 399966688 /nfs/dbraw/zinc/96/66/88/399966688.db2.gz OMMSOQDHFWOBDT-FNORWQNLSA-N 2 0 315.505 2.852 20 0 DFADRP CCC[NH+]1CCC(C[NH2+]Cc2cnc(CCOC)s2)CC1 ZINC000631062741 399972538 /nfs/dbraw/zinc/97/25/38/399972538.db2.gz ANHLAMYVRZWWIX-UHFFFAOYSA-N 2 0 311.495 2.544 20 0 DFADRP CC[C@H](C(=O)NC[C@H]1CC[N@@H+]1C1CCCCC1)[NH+](CC)CC ZINC000628545446 400039914 /nfs/dbraw/zinc/03/99/14/400039914.db2.gz POJRRZIIKWHXGD-IAGOWNOFSA-N 2 0 309.498 2.630 20 0 DFADRP CCC1([NH+](C)C)CCN(C(=O)c2ccc(C[NH+](C)C)cc2)CC1 ZINC000634119930 399985019 /nfs/dbraw/zinc/98/50/19/399985019.db2.gz CDOLOKIHFZJQBO-UHFFFAOYSA-N 2 0 317.477 2.695 20 0 DFADRP CCC1([NH+](C)C)CCN(C(=O)[C@@H](C)[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000634120877 399985236 /nfs/dbraw/zinc/98/52/36/399985236.db2.gz PQMOAEXNCHMJPD-OWCLPIDISA-N 2 0 309.498 2.581 20 0 DFADRP CC[C@H]1CCCC[C@@H]1C[NH+]1CCN(CC[NH+]2CCCC2)CC1 ZINC000628121071 399987606 /nfs/dbraw/zinc/98/76/06/399987606.db2.gz PXAPDKPDMVMGCE-RBUKOAKNSA-N 2 0 307.526 2.916 20 0 DFADRP CC[NH+]1CCN(CC(C)(C)[NH2+]Cc2ccc(C)cc2F)CC1 ZINC000631154982 399991615 /nfs/dbraw/zinc/99/16/15/399991615.db2.gz QDCRKLCQQIBQEN-UHFFFAOYSA-N 2 0 307.457 2.640 20 0 DFADRP CC[NH+](CC)CCO[C@@H]1CC[N@H+](C[C@]2(C)CCCS2)C1 ZINC000628186670 399998216 /nfs/dbraw/zinc/99/82/16/399998216.db2.gz SMHWMOGVUHPNMU-CVEARBPZSA-N 2 0 300.512 2.705 20 0 DFADRP CC[C@@H]1C[C@H]([NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)CO1 ZINC000631194537 400000381 /nfs/dbraw/zinc/00/03/81/400000381.db2.gz LYTDIDYFRLNLGD-OQIJWPOYSA-N 2 0 302.462 2.912 20 0 DFADRP C[C@@H]1C[C@H]([NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)[C@@H](C)O1 ZINC000631195706 400001156 /nfs/dbraw/zinc/00/11/56/400001156.db2.gz ZXMPXWDZNOOJRZ-RTYCURFASA-N 2 0 302.462 2.910 20 0 DFADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C[NH2+][C@@H]1CCO[C@H](C)C1 ZINC000631196650 400001462 /nfs/dbraw/zinc/00/14/62/400001462.db2.gz UYVNFXYFFKXYJD-PSBWJHGTSA-N 2 0 302.462 2.912 20 0 DFADRP CC(C)[C@H]1CN(C(=O)C(C)(C)[C@H]([NH3+])c2ccccc2)CC[N@@H+]1C ZINC000634300563 400012590 /nfs/dbraw/zinc/01/25/90/400012590.db2.gz CVSDMFKOLUDPOT-IAGOWNOFSA-N 2 0 317.477 2.511 20 0 DFADRP C[C@H]([NH2+]Cc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1)C1CC(F)(F)C1 ZINC000628337279 400022320 /nfs/dbraw/zinc/02/23/20/400022320.db2.gz ATDISPLRWPCRPV-GUYCJALGSA-N 2 0 324.415 2.777 20 0 DFADRP COCCC1CC[NH+](Cc2ccc(OCC[NH+](C)C)cc2)CC1 ZINC000628383786 400028153 /nfs/dbraw/zinc/02/81/53/400028153.db2.gz FNLIOJHPIIMKDL-UHFFFAOYSA-N 2 0 320.477 2.876 20 0 DFADRP C[NH+](C)[C@@H](CC(=O)NC[C@@H]1CCCC[N@H+](C)C1)c1ccccc1 ZINC000628747382 400052066 /nfs/dbraw/zinc/05/20/66/400052066.db2.gz PEHKHJCQYTVNJE-WMZOPIPTSA-N 2 0 317.477 2.528 20 0 DFADRP C[C@@H](CCc1c[nH]c2ccccc12)[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000631572369 400053010 /nfs/dbraw/zinc/05/30/10/400053010.db2.gz QDUHGEKIIUHQON-DOTOQJQBSA-N 2 0 315.461 2.535 20 0 DFADRP CC[NH+](CC)Cc1ccc(C(=O)NC[C@H]2CCCC[N@H+](C)C2)o1 ZINC000628756586 400054019 /nfs/dbraw/zinc/05/40/19/400054019.db2.gz UTJOEFOCCYJBKK-OAHLLOKOSA-N 2 0 321.465 2.583 20 0 DFADRP COc1ccc2c(c1)CC[C@H]2[NH2+]CCCC[N@@H+]1CCC[C@@H]1CO ZINC000631582197 400054681 /nfs/dbraw/zinc/05/46/81/400054681.db2.gz YRCLAGFNIDQJBN-VQIMIIECSA-N 2 0 318.461 2.509 20 0 DFADRP C[C@@H]1C[N@@H+](CCCC[NH2+][C@@H]2CCCc3ncccc32)C[C@H](C)O1 ZINC000631596974 400056582 /nfs/dbraw/zinc/05/65/82/400056582.db2.gz ORTBXMQCLHMKTC-SOLBZPMBSA-N 2 0 317.477 2.938 20 0 DFADRP C([NH2+][C@H]1[C@@H]2CCO[C@@H]2C12CCC2)[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000631647248 400061508 /nfs/dbraw/zinc/06/15/08/400061508.db2.gz GBFCVNKMYJCEPZ-OWSLCNJRSA-N 2 0 304.478 2.656 20 0 DFADRP C[C@H](CCCCO)[NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000631664317 400064168 /nfs/dbraw/zinc/06/41/68/400064168.db2.gz NPSKFOOJONCONB-ZHALLVOQSA-N 2 0 304.478 2.895 20 0 DFADRP C[N@@H+]1CC[C@H]([NH2+]Cc2cccc3c2CCOC3)[C@@H]2CCC[C@H]21 ZINC000631732586 400070961 /nfs/dbraw/zinc/07/09/61/400070961.db2.gz LLLKLUYDZGNJTF-GBESFXJTSA-N 2 0 300.446 2.722 20 0 DFADRP [NH3+][C@@H]1CCO[C@@H](C2CC[NH+](C[C@H]3CCC(F)(F)C3)CC2)C1 ZINC000631828577 400078171 /nfs/dbraw/zinc/07/81/71/400078171.db2.gz SHALEQFFNQMZIF-NWANDNLSSA-N 2 0 302.409 2.640 20 0 DFADRP COC(=O)[C@@H](CC[NH+]1CCC(C[NH+](C)C)CC1)c1ccccc1 ZINC000425409343 296578230 /nfs/dbraw/zinc/57/82/30/296578230.db2.gz UXRPSBYQUIFMMU-SFHVURJKSA-N 2 0 318.461 2.607 20 0 DFADRP Cc1ccc2[nH]c(C[NH2+]C[C@@H](C)N3CC[NH+](C)CC3)cc2c1C ZINC000349634814 285903144 /nfs/dbraw/zinc/90/31/44/285903144.db2.gz WRVNOCRCYQBAQU-OAHLLOKOSA-N 2 0 314.477 2.510 20 0 DFADRP CCN(C)c1ccc(C[NH2+]CCC2CC[NH+](CC)CC2)cn1 ZINC000191207674 145882381 /nfs/dbraw/zinc/88/23/81/145882381.db2.gz BPRAYXRKTFSBFC-UHFFFAOYSA-N 2 0 304.482 2.749 20 0 DFADRP C[NH+]1CCN(Cc2ccc(C[NH2+]CC3(C)CCC3)cc2)CC1 ZINC000434771381 543349716 /nfs/dbraw/zinc/34/97/16/543349716.db2.gz BLWAINAENVFCKS-UHFFFAOYSA-N 2 0 301.478 2.714 20 0 DFADRP C[C@@H]([NH2+]CCOCC[NH+](C)C)c1ccc(Br)cc1 ZINC000231786812 146016577 /nfs/dbraw/zinc/01/65/77/146016577.db2.gz KZJTYCUDDWQCDS-GFCCVEGCSA-N 2 0 315.255 2.678 20 0 DFADRP CC(C)C[C@@H]([NH3+])C(=O)NCc1ccccc1C[NH+]1CCCCC1 ZINC000236725952 146024294 /nfs/dbraw/zinc/02/42/94/146024294.db2.gz YVUOIPAYTMWFPV-GOSISDBHSA-N 2 0 317.477 2.662 20 0 DFADRP CCCC[C@@H]([NH3+])C(=O)NC[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000236761073 146025418 /nfs/dbraw/zinc/02/54/18/146025418.db2.gz IENWXJDYZRSTPP-ZWKOTPCHSA-N 2 0 317.477 2.675 20 0 DFADRP CCCC[C@@H]([NH3+])C(=O)NC[C@@H](c1ccccc1)[NH+](CC)CC ZINC000236764800 146025821 /nfs/dbraw/zinc/02/58/21/146025821.db2.gz KYQLCTYKHGHUJE-SJORKVTESA-N 2 0 305.466 2.703 20 0 DFADRP C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)[C@@H]([NH3+])c2ccccc2)C1 ZINC000237548768 146046013 /nfs/dbraw/zinc/04/60/13/146046013.db2.gz OSZFXPFTWMAZGX-NUJGCVRESA-N 2 0 317.477 2.561 20 0 DFADRP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+][C@@H]2C[C@H]3CC[C@@H]2O3)CC1 ZINC000449157846 543362314 /nfs/dbraw/zinc/36/23/14/543362314.db2.gz WNIBAIUSJMGNLU-XLNTUCKNSA-N 2 0 314.473 2.992 20 0 DFADRP CC[N@@H+]1CC[C@H](N[C@@H]2C[C@H](C)[NH+](Cc3ccccc3)C2)[C@@H](C)C1 ZINC000247090615 146160376 /nfs/dbraw/zinc/16/03/76/146160376.db2.gz NZHWDEOMENFHDE-XEYPJELSSA-N 2 0 315.505 2.969 20 0 DFADRP CC[N@@H+]1CC[C@H]([NH2+][C@@H]2CCN(c3c(F)cccc3F)C2)[C@@H](C)C1 ZINC000247090541 146160668 /nfs/dbraw/zinc/16/06/68/146160668.db2.gz NZDDAHPSMDWEQE-VBQJREDUSA-N 2 0 323.431 2.863 20 0 DFADRP C[C@@H]1CCC[C@H](C)[C@H]1[NH2+]Cc1cccnc1N1CC[NH+](C)CC1 ZINC000247148945 146163517 /nfs/dbraw/zinc/16/35/17/146163517.db2.gz WWFQLTGRMMKEFO-VQFNDLOPSA-N 2 0 316.493 2.748 20 0 DFADRP C[C@@H]1CC[C@@H](C)[N@H+](CC(=O)NC[C@H](c2ccccc2)[NH+](C)C)C1 ZINC000249357549 146194409 /nfs/dbraw/zinc/19/44/09/146194409.db2.gz RTAYCSFJPGMDCC-JFIYKMOQSA-N 2 0 317.477 2.526 20 0 DFADRP O[C@H]1CCCC[C@@H]1[NH2+][C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000250127773 146209885 /nfs/dbraw/zinc/20/98/85/146209885.db2.gz WOBKMHWOVIVDIS-KNJMJIDISA-N 2 0 314.473 2.790 20 0 DFADRP CC[N@H+](CC1CC[NH2+]CC1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000261549716 146239551 /nfs/dbraw/zinc/23/95/51/146239551.db2.gz PCFDUKGRRMXQLN-LJQANCHMSA-N 2 0 301.478 2.582 20 0 DFADRP [NH3+]C1CCC([NH2+][C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)CC1 ZINC000261552499 146239734 /nfs/dbraw/zinc/23/97/34/146239734.db2.gz RNXLMPRIRNDASO-AABGDIPYSA-N 3 0 313.489 2.757 20 0 DFADRP Cc1ccc2ncc(C[N@@H+]3C[C@@H](C[NH3+])[C@H](c4ccccc4)C3)n2c1 ZINC000261615795 146246852 /nfs/dbraw/zinc/24/68/52/146246852.db2.gz BGVQGVCVUKIQKX-MJGOQNOKSA-N 2 0 320.440 2.817 20 0 DFADRP COc1ccc2cc(CN3CC[C@H](OC)C[C@H]3C[NH3+])ccc2c1 ZINC000261610630 146247110 /nfs/dbraw/zinc/24/71/10/146247110.db2.gz BBPANGOJQXIEAT-HKUYNNGSSA-N 2 0 314.429 2.787 20 0 DFADRP COc1ccc(CN2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)c(Cl)c1OC ZINC000261710939 146263788 /nfs/dbraw/zinc/26/37/88/146263788.db2.gz PBTGIHRLJJOZKX-DRZSPHRISA-N 2 0 310.825 2.526 20 0 DFADRP Cc1c(Cl)cccc1NC(=O)[C@@H](C)N1CC[C@](C)(C[NH3+])C1 ZINC000261719817 146264814 /nfs/dbraw/zinc/26/48/14/146264814.db2.gz NHDDDJYRSMEGSO-MLGOLLRUSA-N 2 0 309.841 2.646 20 0 DFADRP [NH3+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccc(OC(F)(F)F)cc3)C[C@H]12 ZINC000261716344 146265197 /nfs/dbraw/zinc/26/51/97/146265197.db2.gz PPEGQQJAQXDAFX-KWCYVHTRSA-N 2 0 300.324 2.754 20 0 DFADRP Cc1ccc(NC(=O)C[NH+]2CCC([C@@H]3CCC[NH2+]3)CC2)cc1C ZINC000261723029 146266914 /nfs/dbraw/zinc/26/69/14/146266914.db2.gz MAIDTOBQGMPYLV-SFHVURJKSA-N 2 0 315.461 2.706 20 0 DFADRP CCc1ccc(NC(=O)C[NH+]2CCC([C@H]3CCC[NH2+]3)CC2)cc1 ZINC000261733555 146267718 /nfs/dbraw/zinc/26/77/18/146267718.db2.gz NAPXZDRAXHWJBY-GOSISDBHSA-N 2 0 315.461 2.652 20 0 DFADRP Fc1ccccc1CO[C@H]1CCC[N@H+](C[C@H]2CCC[NH2+]C2)C1 ZINC000261747445 146269759 /nfs/dbraw/zinc/26/97/59/146269759.db2.gz BWZDFKJTGAJGOU-RDJZCZTQSA-N 2 0 306.425 2.806 20 0 DFADRP [NH3+][C@@H]1CC[C@@H]2C[N@H+](Cc3cccc(OC(F)(F)F)c3)C[C@H]12 ZINC000261773623 146274629 /nfs/dbraw/zinc/27/46/29/146274629.db2.gz WFDPWWWRSOESFJ-KWCYVHTRSA-N 2 0 300.324 2.754 20 0 DFADRP [NH3+]CC[C@@H]1CCC[N@H+](Cc2cnn(Cc3ccc(F)cc3)c2)C1 ZINC000261794456 146277644 /nfs/dbraw/zinc/27/76/44/146277644.db2.gz GLUYTXVGEOFDBF-HNNXBMFYSA-N 2 0 316.424 2.631 20 0 DFADRP COc1cc(C)c(C[NH+]2CCC([C@H]3CCC[NH2+]3)CC2)cc1OC ZINC000261798462 146278803 /nfs/dbraw/zinc/27/88/03/146278803.db2.gz UOWWIVPYGCCMBA-QGZVFWFLSA-N 2 0 318.461 2.976 20 0 DFADRP C[C@@H]([NH3+])CC(=O)Nc1cccc(CC[NH+]2CCC(C)CC2)c1 ZINC000261877717 146292943 /nfs/dbraw/zinc/29/29/43/146292943.db2.gz SNELBHUFSPGZMB-OAHLLOKOSA-N 2 0 303.450 2.637 20 0 DFADRP Fc1ccc(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2COCCN2)cc1Cl ZINC000261877214 146293332 /nfs/dbraw/zinc/29/33/32/146293332.db2.gz DUMZDLGEMAQYHB-APHBMKBZSA-N 2 0 312.816 2.726 20 0 DFADRP C[N@H+](C[C@]1(C)CC[NH2+]C1)[C@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000261881834 146294971 /nfs/dbraw/zinc/29/49/71/146294971.db2.gz RCOHASOUYKRSHB-OKZBNKHCSA-N 2 0 306.425 2.977 20 0 DFADRP [NH3+]C1C[C@H]2CCC[C@@H](C1)C2NC(=O)c1ccc(-n2ccnc2)cc1 ZINC000261885898 146295026 /nfs/dbraw/zinc/29/50/26/146295026.db2.gz PUIXDVPAQNFZKJ-SFYZZRBRSA-N 2 0 324.428 2.508 20 0 DFADRP C[C@@]1(C[N@@H+]2CCCN(Cc3ccc(Cl)cc3)CC2)CC[NH2+]C1 ZINC000261907094 146298842 /nfs/dbraw/zinc/29/88/42/146298842.db2.gz XIQCZTUNWCDCFO-GOSISDBHSA-N 2 0 321.896 2.847 20 0 DFADRP C[C@@]1(C[NH+]2CCC(CN3CCc4ccccc43)CC2)CC[NH2+]C1 ZINC000261913216 146300715 /nfs/dbraw/zinc/30/07/15/146300715.db2.gz YVYLNMCTKUEKFM-HXUWFJFHSA-N 2 0 313.489 2.761 20 0 DFADRP CC[N@H+](Cc1ccc2c(c1)sc(=O)n2C)[C@H]1CCC[NH2+]CC1 ZINC000261930728 146304552 /nfs/dbraw/zinc/30/45/52/146304552.db2.gz LOGLRFBMRMUHHQ-AWEZNQCLSA-N 2 0 319.474 2.564 20 0 DFADRP CC(C)c1ccccc1NC(=O)CN1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000261942423 146307722 /nfs/dbraw/zinc/30/77/22/146307722.db2.gz UXUKOFFOAYIZNY-XIRDDKMYSA-N 2 0 315.461 2.808 20 0 DFADRP C[NH2+]CC1CCN(Cc2nc(-c3ccc(Cl)cc3)no2)CC1 ZINC000261949634 146308494 /nfs/dbraw/zinc/30/84/94/146308494.db2.gz MTXUNBKYBSUMBG-UHFFFAOYSA-N 2 0 320.824 2.821 20 0 DFADRP C[NH2+]C[C@H]1CCCN(Cc2ccc(OC)c(OC(F)F)c2)C1 ZINC000261950936 146308532 /nfs/dbraw/zinc/30/85/32/146308532.db2.gz MXNSKWPDECOPQK-CYBMUJFWSA-N 2 0 314.376 2.728 20 0 DFADRP C[C@H](C[NH2+][C@@H]1CCC[C@H]1[C@@H]1COCCN1)c1ccc(F)cc1 ZINC000261952236 146309081 /nfs/dbraw/zinc/30/90/81/146309081.db2.gz OMGRSSCKCSJROX-PILAGYSTSA-N 2 0 306.425 2.676 20 0 DFADRP C[C@@H]([NH3+])C1CC[NH+](Cc2nc(-c3ccc(Cl)cc3)no2)CC1 ZINC000261962582 146310122 /nfs/dbraw/zinc/31/01/22/146310122.db2.gz OXYYXOSRBWEWTI-LLVKDONJSA-N 2 0 320.824 2.949 20 0 DFADRP COC(=O)c1ccc(Cl)c(C[N@@H+]2CCC[C@H](CC[NH3+])C2)c1 ZINC000261958674 146310168 /nfs/dbraw/zinc/31/01/68/146310168.db2.gz OYHDNSFKCLESRG-GFCCVEGCSA-N 2 0 310.825 2.687 20 0 DFADRP C[C@@H](NC(=O)C[N@@H+]1CCC[C@@H](CC[NH3+])C1)c1ccccc1Cl ZINC000261980817 146315956 /nfs/dbraw/zinc/31/59/56/146315956.db2.gz RHFQXEITOGOAOB-KGLIPLIRSA-N 2 0 323.868 2.578 20 0 DFADRP CCN(C)c1ccc(C[NH+]2CCC([C@H]3CCC[NH2+]3)CC2)cn1 ZINC000261999409 146318875 /nfs/dbraw/zinc/31/88/75/146318875.db2.gz TYLPKAOOJHWYJP-QGZVFWFLSA-N 2 0 302.466 2.502 20 0 DFADRP C[NH2+]CCC1CC[NH+]([C@@H](C)C(=O)Nc2cc(C)ccc2C)CC1 ZINC000261998754 146319069 /nfs/dbraw/zinc/31/90/69/146319069.db2.gz ORAMVMFAJHNQKM-INIZCTEOSA-N 2 0 317.477 2.952 20 0 DFADRP C[C@H]1C[N@H+](CC2CC[NH2+]CC2)[C@@H](C)CN1Cc1ccccc1 ZINC000262014960 146322250 /nfs/dbraw/zinc/32/22/50/146322250.db2.gz VPRKJQXDSGLVAM-IRXDYDNUSA-N 2 0 301.478 2.581 20 0 DFADRP COc1cccc(NC2CC[NH+](C[C@]3(C)CC[NH2+]C3)CC2)c1 ZINC000262014988 146322342 /nfs/dbraw/zinc/32/23/42/146322342.db2.gz MQNGWJNAHXQNEZ-GOSISDBHSA-N 2 0 303.450 2.571 20 0 DFADRP C[NH2+]CC1CC[NH+](Cc2cnn(Cc3ccc(F)cc3)c2)CC1 ZINC000262028052 146323289 /nfs/dbraw/zinc/32/32/89/146323289.db2.gz WVILOCLIEMZIPI-UHFFFAOYSA-N 2 0 316.424 2.502 20 0 DFADRP C[C@H](C(=O)Nc1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1)C1C[NH2+]C1 ZINC000262029859 146324748 /nfs/dbraw/zinc/32/47/48/146324748.db2.gz BJORTWMFGHTXNC-GJZGRUSLSA-N 2 0 315.461 2.713 20 0 DFADRP [NH3+]Cc1ccc(-c2noc(CC3(C[NH3+])CCCCC3)n2)cc1 ZINC000262030795 146324987 /nfs/dbraw/zinc/32/49/87/146324987.db2.gz OACONFZPHXKDEG-UHFFFAOYSA-N 2 0 300.406 2.647 20 0 DFADRP C[N@H+](CC1CC[NH2+]CC1)[C@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000262052769 146327300 /nfs/dbraw/zinc/32/73/00/146327300.db2.gz ZVTODQMFEBPQQT-ZWKOTPCHSA-N 2 0 306.425 2.977 20 0 DFADRP COc1ccccc1CC1CC[NH+](C[C@]2(C)CC[NH2+]C2)CC1 ZINC000262057879 146328617 /nfs/dbraw/zinc/32/86/17/146328617.db2.gz QWIKDYBOYSAQQF-LJQANCHMSA-N 2 0 302.462 2.949 20 0 DFADRP c1cn(-c2csc(C[N@@H+]3CCC4(C3)CC[NH2+]CC4)c2)cn1 ZINC000262068805 146330175 /nfs/dbraw/zinc/33/01/75/146330175.db2.gz RWUFXLVZXHYWNY-UHFFFAOYSA-N 2 0 302.447 2.509 20 0 DFADRP COC(=O)c1ccc(Cl)c(C[N@@H+]2CCC3(C2)CC[NH2+]CC3)c1 ZINC000262109324 146334475 /nfs/dbraw/zinc/33/44/75/146334475.db2.gz WGVUQGWYLRNBSS-UHFFFAOYSA-N 2 0 322.836 2.702 20 0 DFADRP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+]C[C@@H]1COc2ccccc2O1 ZINC000262358471 146353379 /nfs/dbraw/zinc/35/33/79/146353379.db2.gz WEIMOEVKMJTCFB-BZUAXINKSA-N 2 0 304.434 2.727 20 0 DFADRP CCCOc1ccc(OCC[N@@H+]2CC[C@H](C)[C@H](C[NH3+])C2)cc1 ZINC000262449752 146361342 /nfs/dbraw/zinc/36/13/42/146361342.db2.gz HPIWRVWBGZTBFI-JKSUJKDBSA-N 2 0 306.450 2.771 20 0 DFADRP C[C@H]1C[NH+](CCCC[NH2+]Cc2scnc2C2CC2)C[C@H](C)O1 ZINC000486940865 543400164 /nfs/dbraw/zinc/40/01/64/543400164.db2.gz PPBLCTLYMJFXBM-KBPBESRZSA-N 2 0 323.506 3.000 20 0 DFADRP C[NH2+]CCC1CC[NH+](CCCOCCc2ccccc2)CC1 ZINC000354271810 146975569 /nfs/dbraw/zinc/97/55/69/146975569.db2.gz MLNQPSHITZZONA-UHFFFAOYSA-N 2 0 304.478 2.957 20 0 DFADRP Cc1ccccc1NC(=O)[C@@H](C)[NH+]1CCC(C[NH+](C)C)CC1 ZINC000354376350 147014432 /nfs/dbraw/zinc/01/44/32/147014432.db2.gz BEODYSXZANUYOM-OAHLLOKOSA-N 2 0 303.450 2.596 20 0 DFADRP C[C@H](C(=O)N[C@@H](C)c1ccccc1)[NH+]1CCC(C[NH+](C)C)CC1 ZINC000354406117 147025002 /nfs/dbraw/zinc/02/50/02/147025002.db2.gz KZZSVTLSOUNISX-JKSUJKDBSA-N 2 0 317.477 2.526 20 0 DFADRP C[C@H](C(=O)N[C@H]1CCC[C@@H](C)[C@@H]1C)[NH+]1CCC(C[NH+](C)C)CC1 ZINC000354451725 147041958 /nfs/dbraw/zinc/04/19/58/147041958.db2.gz GZQTUZWEJZDXCF-HPFXQQBRSA-N 2 0 323.525 2.589 20 0 DFADRP Cc1ccc(NC(=O)[C@@H](C)[NH+]2CCC(C[NH+](C)C)CC2)cc1F ZINC000354509920 147062669 /nfs/dbraw/zinc/06/26/69/147062669.db2.gz XKORTCQNZUXXGX-CQSZACIVSA-N 2 0 321.440 2.735 20 0 DFADRP COC(=O)C[C@@H]1CC[C@H]([NH2+]C[C@H]2CCC[N@H+](CC(C)C)C2)[C@H]1C ZINC000354571121 147082750 /nfs/dbraw/zinc/08/27/50/147082750.db2.gz LKHLSAAWQKCDCV-MHORFTMASA-N 2 0 324.509 2.922 20 0 DFADRP CCN1C[C@@H](C)[C@@H]([NH2+]C2CCC(C(=O)OC(C)(C)C)CC2)C1 ZINC000354696146 147118834 /nfs/dbraw/zinc/11/88/34/147118834.db2.gz MLEMGQBNETWKCQ-LMPOIIKSSA-N 2 0 310.482 2.817 20 0 DFADRP C[C@@H]1C[N@H+](CC(=O)NC[C@H](c2ccccc2)[NH+](C)C)C(C)(C)C1 ZINC000354849819 147175685 /nfs/dbraw/zinc/17/56/85/147175685.db2.gz MAQCTGBHWFYAID-DOTOQJQBSA-N 2 0 317.477 2.526 20 0 DFADRP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@@H+]2Cc1ccc2c(c1)CCC2 ZINC000355216399 147225103 /nfs/dbraw/zinc/22/51/03/147225103.db2.gz FIAWOEVUFLUNPS-AQNXPRMDSA-N 2 0 314.473 2.859 20 0 DFADRP COc1c(O)cccc1C[N@@H+]1CCC[C@H](Cc2nccn2C)C1 ZINC000355360817 147283893 /nfs/dbraw/zinc/28/38/93/147283893.db2.gz FTJZCCWBNGUSHB-CQSZACIVSA-N 2 0 315.417 2.589 20 0 DFADRP CC[NH+]1CCC(NC(=O)C[NH2+][C@H](C)c2cccc(Cl)c2)CC1 ZINC000357633720 148065441 /nfs/dbraw/zinc/06/54/41/148065441.db2.gz DVXTULUSTOSZGS-CYBMUJFWSA-N 2 0 323.868 2.591 20 0 DFADRP Cc1cc(NCc2ccc(OCC[NH+]3CCCC3)cc2)cc[nH+]1 ZINC000357682861 148083301 /nfs/dbraw/zinc/08/33/01/148083301.db2.gz MKBYZOQFDDULTB-UHFFFAOYSA-N 2 0 311.429 2.899 20 0 DFADRP CO[C@H](Cc1ccccc1)C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000296727920 286016553 /nfs/dbraw/zinc/01/65/53/286016553.db2.gz IGEQMCRGTOPPCK-IPMKNSEASA-N 2 0 302.462 2.660 20 0 DFADRP C[C@@H](C(=O)NCCC[NH+]1CCCCCC1)[NH+]1CCCCCC1 ZINC000357836111 148143324 /nfs/dbraw/zinc/14/33/24/148143324.db2.gz UYXLHLJTOHBGSV-KRWDZBQOSA-N 2 0 309.498 2.633 20 0 DFADRP CCO[C@H]1C[C@H]([NH2+]CC(C)(C)C[NH+]2CCCC2)C12CCOCC2 ZINC000357847658 148147597 /nfs/dbraw/zinc/14/75/97/148147597.db2.gz JNLBXJCVCWEVOI-IRXDYDNUSA-N 2 0 324.509 2.672 20 0 DFADRP C[C@@H](C(=O)N(C)CC[N@H+](C)C1CCCCC1)[NH+]1CCCCCC1 ZINC000357918614 148175228 /nfs/dbraw/zinc/17/52/28/148175228.db2.gz UJKSHFNZOJYGNH-KRWDZBQOSA-N 2 0 323.525 2.974 20 0 DFADRP CCC[NH+]1CCN(c2ccccc2C[NH2+]CCOC(C)C)CC1 ZINC000350230096 286020138 /nfs/dbraw/zinc/02/01/38/286020138.db2.gz XJVSOESXJBFKOH-UHFFFAOYSA-N 2 0 319.493 2.733 20 0 DFADRP Cc1ccc(-c2ccc(CN3CCO[C@@H](C[NH3+])C3)s2)cc1 ZINC000357969378 148194160 /nfs/dbraw/zinc/19/41/60/148194160.db2.gz PQXWWISRWWDWNJ-HNNXBMFYSA-N 2 0 302.443 2.883 20 0 DFADRP CC(C)[N@H+](C)Cc1cccc(C[NH2+][C@H]2CC[NH+](C)C[C@@H]2C)c1 ZINC000358067080 148231421 /nfs/dbraw/zinc/23/14/21/148231421.db2.gz WGZIWECNGXFCAR-LPHOPBHVSA-N 3 0 303.494 2.957 20 0 DFADRP C[C@H]1CCCC[C@@H]1OCC[NH2+]Cc1cc(C2CC[NH2+]CC2)no1 ZINC000425901542 296603802 /nfs/dbraw/zinc/60/38/02/296603802.db2.gz PZKWHWUOUZIJAA-KSSFIOAISA-N 2 0 321.465 2.827 20 0 DFADRP COc1cccc(COCC[NH2+][C@@H]2C[C@H](C)[N@H+](C)C[C@@H]2C)c1 ZINC000358221578 148290612 /nfs/dbraw/zinc/29/06/12/148290612.db2.gz GYKHDYOKWPZLTJ-RLFYNMQTSA-N 2 0 306.450 2.530 20 0 DFADRP CC[N@@H+]1CC[C@H]([NH2+]CCOCc2cccc(OC)c2)[C@@H](C)C1 ZINC000358239810 148298585 /nfs/dbraw/zinc/29/85/85/148298585.db2.gz ZOEFIKPFZWHDSI-YJBOKZPZSA-N 2 0 306.450 2.532 20 0 DFADRP C[C@@H](NC[C@@]1(O)CC[N@H+](C)C1)c1cc(F)c(Cl)cc1Cl ZINC000358265308 148310982 /nfs/dbraw/zinc/31/09/82/148310982.db2.gz ZNNFWIAYOVJXLC-OTYXRUKQSA-N 2 0 321.223 2.850 20 0 DFADRP CC[NH+](CC)CCOCC[NH2+]Cc1ccc2ncccc2c1 ZINC000350350348 286031030 /nfs/dbraw/zinc/03/10/30/286031030.db2.gz FTDFMQYHCVBFBV-UHFFFAOYSA-N 2 0 301.434 2.683 20 0 DFADRP CC[NH+](CC)CCO[C@@H]1CC[N@H+](CCc2ccc(OC)cc2)C1 ZINC000350364900 286032307 /nfs/dbraw/zinc/03/23/07/286032307.db2.gz KAVSUOQSICJJOO-LJQANCHMSA-N 2 0 320.477 2.670 20 0 DFADRP Cc1cnc(CC[NH2+][C@@H]2CCCN(Cc3ccccc3)C2)nc1 ZINC000358360396 148341944 /nfs/dbraw/zinc/34/19/44/148341944.db2.gz CKMOUSYMTNTKEY-GOSISDBHSA-N 2 0 310.445 2.582 20 0 DFADRP O=C(CC[N@@H+]1CCC2(C1)CC[NH2+]CC2)Nc1ccccc1Cl ZINC000358502569 148380484 /nfs/dbraw/zinc/38/04/84/148380484.db2.gz WASURPXILPOWHQ-UHFFFAOYSA-N 2 0 321.852 2.744 20 0 DFADRP C[C@@H](c1nc(-c2ccccc2)no1)[N@@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000358516023 148382124 /nfs/dbraw/zinc/38/21/24/148382124.db2.gz NUURFBWOJGPFQL-AWEZNQCLSA-N 2 0 312.417 2.873 20 0 DFADRP C[C@H](CN[C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21)[NH+](C)C ZINC000358560548 148386439 /nfs/dbraw/zinc/38/64/39/148386439.db2.gz FCVBSTKSTZQPRH-VBSBHUPXSA-N 2 0 315.505 2.827 20 0 DFADRP CC[N@H+](CCC1CC[NH2+]CC1)[C@@H](COC)Cc1ccccc1 ZINC000359185548 148592576 /nfs/dbraw/zinc/59/25/76/148592576.db2.gz FTFWMJSLKPZGLC-LJQANCHMSA-N 2 0 304.478 2.956 20 0 DFADRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H]2CCOC(C)(C)C2)[C@@H](C)C1 ZINC000358251470 286063997 /nfs/dbraw/zinc/06/39/97/286063997.db2.gz MONYVZFUBRDOCK-BBWFWOEESA-N 2 0 312.498 2.671 20 0 DFADRP C[C@@H]1C[C@H](C)C[N@@H+](CCN2CC[NH+](C3CCCCC3)CC2)C1 ZINC000660010313 543524061 /nfs/dbraw/zinc/52/40/61/543524061.db2.gz JHRQTOTVWRRFNJ-HDICACEKSA-N 2 0 307.526 2.915 20 0 DFADRP C[C@@H]1C[N@H+](CCCc2ccsc2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000361096645 149027493 /nfs/dbraw/zinc/02/74/93/149027493.db2.gz MHNKWSDSZBXPBZ-AEFFLSMTSA-N 2 0 321.534 2.639 20 0 DFADRP [NH3+]CC[C@H]1CCC[N@H+](Cc2cccc(F)c2OC(F)F)C1 ZINC000662271409 543535017 /nfs/dbraw/zinc/53/50/17/543535017.db2.gz FSEQBCCUBFCSON-LLVKDONJSA-N 2 0 302.340 2.988 20 0 DFADRP CC[C@H]([NH2+]CCCC[N@@H+]1CCC[C@H]1CO)c1cccc(OC)c1 ZINC000361352568 149095343 /nfs/dbraw/zinc/09/53/43/149095343.db2.gz QQZWFTIKIUQRGK-HKUYNNGSSA-N 2 0 320.477 2.973 20 0 DFADRP C[C@H]([NH2+]C[C@]1(C)CCOC1)c1cccc(OCC[NH+](C)C)c1 ZINC000361396337 149104708 /nfs/dbraw/zinc/10/47/08/149104708.db2.gz GARVOLPQDOZFRC-YJBOKZPZSA-N 2 0 306.450 2.704 20 0 DFADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]C[C@](C)(O)[C@@H](C)CC)[C@@H](C)C1 ZINC000361398624 149105699 /nfs/dbraw/zinc/10/56/99/149105699.db2.gz ABJBKYGPCFBIJD-XSLAGTTESA-N 2 0 314.514 2.510 20 0 DFADRP C[C@H]1CCC[C@H](C)[NH+]1CCNC(=O)CC1(C[NH3+])CCCCC1 ZINC000361619039 149170612 /nfs/dbraw/zinc/17/06/12/149170612.db2.gz FCTZQXFWCOKJER-HOTGVXAUSA-N 2 0 309.498 2.665 20 0 DFADRP C[C@@H]([NH3+])c1ccc(CNC(=O)CC2(C[NH3+])CCCCC2)cc1 ZINC000361622132 149171269 /nfs/dbraw/zinc/17/12/69/149171269.db2.gz OPOZQCOTFABWPA-CQSZACIVSA-N 2 0 303.450 2.622 20 0 DFADRP [NH2+]=C(NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1)Nc1ccccn1 ZINC000361803755 149224674 /nfs/dbraw/zinc/22/46/74/149224674.db2.gz LPAURJZVWBNRMZ-KRWDZBQOSA-N 2 0 323.444 2.930 20 0 DFADRP COc1c(Cl)cc(Cl)cc1C[NH2+]CCOCC[NH+](C)C ZINC000361951993 149263742 /nfs/dbraw/zinc/26/37/42/149263742.db2.gz NMSFUICXAMMHGN-UHFFFAOYSA-N 2 0 321.248 2.670 20 0 DFADRP Cn1c2ccccc2nc1CC[N@@H+]1C[C@@H]2C[NH+]3CCCC[C@@H]3[C@H]2C1 ZINC000362925276 149398696 /nfs/dbraw/zinc/39/86/96/149398696.db2.gz HMQPRLXOUWJQNJ-SOLBZPMBSA-N 2 0 324.472 2.532 20 0 DFADRP Cn1c2ccccc2nc1CC[N@@H+]1C[C@@H]2C[NH+]3CCCC[C@H]3[C@H]2C1 ZINC000362925275 149399353 /nfs/dbraw/zinc/39/93/53/149399353.db2.gz HMQPRLXOUWJQNJ-RYRKJORJSA-N 2 0 324.472 2.532 20 0 DFADRP c1cn(-c2ccc(C[N@@H+]3C[C@@H]4C[NH+]5CCCC[C@@H]5[C@@H]4C3)cc2)cn1 ZINC000362925519 149399644 /nfs/dbraw/zinc/39/96/44/149399644.db2.gz JVCDUAZNIZOUJG-MISYRCLQSA-N 2 0 322.456 2.788 20 0 DFADRP C[N@@H+]1CCCC[C@@H]1CC[NH+]1CCC(OC[C@@H]2CCCCO2)CC1 ZINC000351336753 286121873 /nfs/dbraw/zinc/12/18/73/286121873.db2.gz ZYFTUWJKBKCEMA-MJGOQNOKSA-N 2 0 324.509 2.911 20 0 DFADRP C[N@@H+]1CCCC[C@@H]1CC[NH+]1CCC(OC[C@H]2CCCCO2)CC1 ZINC000351336752 286121958 /nfs/dbraw/zinc/12/19/58/286121958.db2.gz ZYFTUWJKBKCEMA-IEBWSBKVSA-N 2 0 324.509 2.911 20 0 DFADRP [NH3+][C@@H]1CC[C@H]2C[N@H+](Cc3ccc(OCc4cccnc4)cc3)C[C@@H]12 ZINC000351480898 286131110 /nfs/dbraw/zinc/13/11/10/286131110.db2.gz WGJADRQAQBNMIC-DFQSSKMNSA-N 2 0 323.440 2.830 20 0 DFADRP [NH3+][C@@H]1CC[C@@H]2C[N@H+](Cc3cc(-c4ccc(F)cc4)no3)C[C@H]12 ZINC000351495932 286135699 /nfs/dbraw/zinc/13/56/99/286135699.db2.gz QDWILTGATYCTRV-UHOFOFEASA-N 2 0 301.365 2.650 20 0 DFADRP C[C@@H]([NH2+]CCOCC[NH+](C)C)c1ccc(F)cc1OC(F)F ZINC000351501069 286137139 /nfs/dbraw/zinc/13/71/39/286137139.db2.gz IDQYVQRFGGRTIQ-LLVKDONJSA-N 2 0 320.355 2.656 20 0 DFADRP Cc1cc([C@@H](C)[NH2+][C@@H]2CCN(C3CC[NH+](C)CC3)C2)oc1C ZINC000370297538 149913813 /nfs/dbraw/zinc/91/38/13/149913813.db2.gz LBLCTZSWIXUJEA-GDBMZVCRSA-N 2 0 305.466 2.716 20 0 DFADRP Cc1cc([C@@H](C)[NH2+][C@H]2CCN(C3CC[NH+](C)CC3)C2)oc1C ZINC000370297541 149914074 /nfs/dbraw/zinc/91/40/74/149914074.db2.gz LBLCTZSWIXUJEA-ZBFHGGJFSA-N 2 0 305.466 2.716 20 0 DFADRP CC[C@@H]1C[N@@H+]2CCCC[C@@H]2CN1C(=O)C[C@@H]([NH3+])c1ccccc1 ZINC000371280291 150014422 /nfs/dbraw/zinc/01/44/22/150014422.db2.gz OQRMRMYLZWPHGL-KZNAEPCWSA-N 2 0 315.461 2.552 20 0 DFADRP Cc1noc(C)c1C[NH+]1CCC2(C[C@H]2C[N@@H+](C)C2CC2)CC1 ZINC000371329342 150023364 /nfs/dbraw/zinc/02/33/64/150023364.db2.gz HNMCJAONIVTMPU-HNNXBMFYSA-N 2 0 303.450 2.988 20 0 DFADRP CCOC(=O)[C@H](CC)[NH+]1CCC2(C[C@H]2C[N@H+](C)C2CC2)CC1 ZINC000371329287 150023590 /nfs/dbraw/zinc/02/35/90/150023590.db2.gz GSGLJCZQRIXXMJ-HOCLYGCPSA-N 2 0 308.466 2.524 20 0 DFADRP C[NH+]1CCC(N2CC[C@H]([NH2+][C@H](c3ccccc3)C3CC3)C2)CC1 ZINC000371401520 150039356 /nfs/dbraw/zinc/03/93/56/150039356.db2.gz POIQXRPODXCEIG-AZUAARDMSA-N 2 0 313.489 2.896 20 0 DFADRP Cc1cccc2ncc(CN3C[C@@H]4C[N@@H+]5CCCC[C@H]5[C@@H]4C3)n21 ZINC000371403594 150039941 /nfs/dbraw/zinc/03/99/41/150039941.db2.gz VCHSEMCEHFEZCN-NXHRZFHOSA-N 2 0 310.445 2.559 20 0 DFADRP c1[nH]nc(-c2ccccc2)c1CN1C[C@@H]2C[N@@H+]3CCCC[C@@H]3[C@H]2C1 ZINC000371403029 150040760 /nfs/dbraw/zinc/04/07/60/150040760.db2.gz HSLZRMDBUFVKPQ-CEXWTWQISA-N 2 0 322.456 2.993 20 0 DFADRP CC[N@@H+]1CC[C@@H]([NH2+]Cc2ccccc2-c2cnn(C)c2)[C@@H](C)C1 ZINC000371433549 150046323 /nfs/dbraw/zinc/04/63/23/150046323.db2.gz XIBVSJJPJMRHGC-HNAYVOBHSA-N 2 0 312.461 2.907 20 0 DFADRP Cc1noc(C2CCC([NH2+][C@H]3CC[N@@H+]4CCC[C@H]4C3)CC2)n1 ZINC000371449758 150048578 /nfs/dbraw/zinc/04/85/78/150048578.db2.gz XAUJUIISCPFAMS-CKUJCDMFSA-N 2 0 304.438 2.621 20 0 DFADRP Cc1noc(C2CCC([NH2+][C@@H]3C[C@H](C)[N@@H+](C)C[C@@H]3C)CC2)n1 ZINC000371449889 150048908 /nfs/dbraw/zinc/04/89/08/150048908.db2.gz IWGOJKXJONLRDQ-IGTKTAFCSA-N 2 0 306.454 2.723 20 0 DFADRP Cc1cccc(C[N@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@@H]32)c1C ZINC000371470422 150052241 /nfs/dbraw/zinc/05/22/41/150052241.db2.gz LIELCTHPYSIOKH-GBESFXJTSA-N 2 0 302.462 2.987 20 0 DFADRP CC[N@@H+]1CC[C@@H](C[NH2+][C@H]2CCC(=O)Nc3ccc(F)cc32)C1 ZINC000371727771 150087821 /nfs/dbraw/zinc/08/78/21/150087821.db2.gz LSZQNDAYFOPQKH-WFASDCNBSA-N 2 0 305.397 2.531 20 0 DFADRP CC[N@@H+]1CC[C@H](C[NH2+][C@H]2CCCOc3cc(OC)ccc32)C1 ZINC000371877199 150107059 /nfs/dbraw/zinc/10/70/59/150107059.db2.gz TXIXNKKAEKXWEY-PBHICJAKSA-N 2 0 304.434 2.840 20 0 DFADRP C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@H]1[NH2+]CCC[C@H]1CCCCO1 ZINC000371889659 150110186 /nfs/dbraw/zinc/11/01/86/150110186.db2.gz ZCAYLMYUYZSXEI-AKHDSKFASA-N 2 0 324.509 2.815 20 0 DFADRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+][C@@H]1C[C@@H](c2ccccc2)[C@@H]1C ZINC000372107739 150137838 /nfs/dbraw/zinc/13/78/38/150137838.db2.gz HZMKLQDKBDNQCF-PIKOESSRSA-N 2 0 315.505 2.794 20 0 DFADRP CCc1ccccc1C[N@@H+]1CCC[C@H](CN2CC[NH+](C)CC2)C1 ZINC000372460096 150176098 /nfs/dbraw/zinc/17/60/98/150176098.db2.gz MIEMMQRCFSFAKL-GOSISDBHSA-N 2 0 315.505 2.708 20 0 DFADRP COc1cccc(N2CCC([NH2+]CCC[NH+]3CCCC3)CC2)c1 ZINC000372780373 150184367 /nfs/dbraw/zinc/18/43/67/150184367.db2.gz KGXDIAZLBNNSPQ-UHFFFAOYSA-N 2 0 317.477 2.740 20 0 DFADRP C[C@H]1CCCC[C@H]1[NH+]1CCC([NH2+]CCOCC(F)F)CC1 ZINC000372952944 150206842 /nfs/dbraw/zinc/20/68/42/150206842.db2.gz SLQHUWPGRDNOSN-DZGCQCFKSA-N 2 0 304.425 2.901 20 0 DFADRP C(CC[NH+]1CCC(C[NH+]2CCOCC2)CC1)CC1CCOCC1 ZINC000373841554 150266506 /nfs/dbraw/zinc/26/65/06/150266506.db2.gz MLEJJBLWQOJZAE-UHFFFAOYSA-N 2 0 324.509 2.628 20 0 DFADRP CCCCN(C)C(=O)C1CC[NH+](CC[C@H]2CCCC[N@@H+]2C)CC1 ZINC000351617747 286171431 /nfs/dbraw/zinc/17/14/31/286171431.db2.gz ZQOKSOWSSHHIHG-GOSISDBHSA-N 2 0 323.525 2.831 20 0 DFADRP C[C@H]1CN(Cc2cccc(Cl)c2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000374332130 150346982 /nfs/dbraw/zinc/34/69/82/150346982.db2.gz RCFBJTGDUSTKFE-MAUKXSAKSA-N 2 0 321.896 2.798 20 0 DFADRP COC(=O)c1cccc(CN2CCC3(CCC[N@@H+]3C)CC2)c1 ZINC000374976746 150377978 /nfs/dbraw/zinc/37/79/78/150377978.db2.gz GTIRYXDXGVHWRU-UHFFFAOYSA-N 2 0 302.418 2.533 20 0 DFADRP C[NH+](C)CCCC1CC[NH+](Cc2cnn(CC(F)F)c2)CC1 ZINC000351666707 286187571 /nfs/dbraw/zinc/18/75/71/286187571.db2.gz XFGIFZVFJAVJIV-UHFFFAOYSA-N 2 0 314.424 2.702 20 0 DFADRP [NH3+]Cc1ccc2c(c1)CCCN2C(=O)C[C@H]([NH3+])c1ccccc1 ZINC000378202027 150769476 /nfs/dbraw/zinc/76/94/76/150769476.db2.gz PKHWJJFFJHZXJD-KRWDZBQOSA-N 2 0 309.413 2.515 20 0 DFADRP C[C@@H]([NH3+])[C@H]1CC[N@H+](Cc2cccc(OCC(F)(F)F)c2)C1 ZINC000351857246 286233256 /nfs/dbraw/zinc/23/32/56/286233256.db2.gz XBKBZIKDTOHWOH-YPMHNXCESA-N 2 0 302.340 2.797 20 0 DFADRP CCC[C@@H]([NH2+]C(C)C)C(=O)Nc1ccc(OCC[NH+](C)C)cc1 ZINC000351897553 286239837 /nfs/dbraw/zinc/23/98/37/286239837.db2.gz PUAKVAKYILXIQF-QGZVFWFLSA-N 2 0 321.465 2.732 20 0 DFADRP COc1cc2c(cc1OC)CC[NH+](CC[C@@H]1CCC[N@@H+]1C)CC2 ZINC000371325281 286258354 /nfs/dbraw/zinc/25/83/54/286258354.db2.gz DJLQQUFUGIHWNM-KRWDZBQOSA-N 2 0 318.461 2.589 20 0 DFADRP CCO[C@@H]1C[C@@H]([NH2+]C2CC(C)(C)[NH2+]C(C)(C)C2)C12CCOCC2 ZINC000186211983 286277172 /nfs/dbraw/zinc/27/71/72/286277172.db2.gz FWLYRCDMLBQOOU-HZPDHXFCSA-N 2 0 324.509 2.859 20 0 DFADRP CCO[C@@H]1C[C@@H]([NH2+]C2CC[NH+](C(C)(C)C)CC2)C12CCOCC2 ZINC000186394537 286277616 /nfs/dbraw/zinc/27/76/16/286277616.db2.gz NPAWIDIVCLXVRL-IAGOWNOFSA-N 2 0 324.509 2.813 20 0 DFADRP CCO[C@@H]1C[C@@H]([NH2+]C2CC[NH+](CC(C)C)CC2)[C@@H]1SC ZINC000362307350 286277684 /nfs/dbraw/zinc/27/76/84/286277684.db2.gz YUEXNAZHVJKPHS-OAGGEKHMSA-N 2 0 300.512 2.605 20 0 DFADRP Cc1ccc([C@H](CN[C@@H]2C[C@H](C)[N@@H+](C)C[C@H]2C)[NH+](C)C)cc1 ZINC000247172390 292255779 /nfs/dbraw/zinc/25/57/79/292255779.db2.gz YRAGCCDGMCXHQU-JFRXWTBNSA-N 2 0 303.494 2.916 20 0 DFADRP CCC[C@H]([NH2+]C(C)C)C(=O)N[C@@H](C[NH+](C)C)c1ccccc1 ZINC000352139998 286302214 /nfs/dbraw/zinc/30/22/14/286302214.db2.gz IRXAUKXAZOHSBT-IRXDYDNUSA-N 2 0 305.466 2.572 20 0 DFADRP CCC[C@H]([NH2+]C(C)C)C(=O)NCCCC[N@@H+]1CCCC[C@@H]1C ZINC000352155182 286306999 /nfs/dbraw/zinc/30/69/99/286306999.db2.gz CTOOJBAQAHXNJE-IRXDYDNUSA-N 2 0 311.514 2.924 20 0 DFADRP CCC[C@H]([NH2+]C(C)C)C(=O)N[C@@H](C)C[N@H+](C)Cc1ccccc1 ZINC000352349922 286350134 /nfs/dbraw/zinc/35/01/34/286350134.db2.gz IIZIQDMFUUGKNH-WMZOPIPTSA-N 2 0 319.493 2.790 20 0 DFADRP COc1ccc([C@@H](C[NH+](C)C)NC2CC[NH+](C3CC3)CC2)cc1 ZINC000298120717 286356487 /nfs/dbraw/zinc/35/64/87/286356487.db2.gz PGRIWCYTPKHILA-LJQANCHMSA-N 2 0 317.477 2.514 20 0 DFADRP Cn1cc([C@@H]([NH2+]CCCC[NH+](C)C)c2cccc(F)c2)cn1 ZINC000352557089 286406858 /nfs/dbraw/zinc/40/68/58/286406858.db2.gz JHTZSBQKWGMETH-KRWDZBQOSA-N 2 0 304.413 2.580 20 0 DFADRP CN(C)Cc1cnc(C[NH2+]CCCCC[NH+]2CCCCC2)s1 ZINC000352761596 286460320 /nfs/dbraw/zinc/46/03/20/286460320.db2.gz CFKKDVRXNXSIAL-UHFFFAOYSA-N 2 0 324.538 2.951 20 0 DFADRP CCC[C@H]([NH2+]C(C)C)C(=O)N1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000352968313 286515673 /nfs/dbraw/zinc/51/56/73/286515673.db2.gz ORLCAOMIDOGFFG-SJORKVTESA-N 2 0 309.498 2.630 20 0 DFADRP C[C@@H]([NH2+]C[C@@H](O)C[NH+]1CCCCC1)C1CCC(F)(F)CC1 ZINC000353240112 286588263 /nfs/dbraw/zinc/58/82/63/286588263.db2.gz YBUAXFPXCXFXOD-UKRRQHHQSA-N 2 0 304.425 2.637 20 0 DFADRP [NH3+][C@H]1CCCCCC[C@@H]1C(=O)Nc1ccc2c(c1)C[NH2+]CC2 ZINC000429339817 296743873 /nfs/dbraw/zinc/74/38/73/296743873.db2.gz RWIVCLUNZGKFSN-IRXDYDNUSA-N 2 0 301.434 2.569 20 0 DFADRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@@H]1CCCC[C@H]1[C@H]1CCOC1 ZINC000353316897 286610663 /nfs/dbraw/zinc/61/06/63/286610663.db2.gz VMIPIURJTNAISP-XWTMOSNGSA-N 2 0 312.498 2.528 20 0 DFADRP CCC(CC)[C@@H](C[NH2+][C@H](C)C(C)(C)n1cncn1)[NH+]1CCCC1 ZINC000353411524 286638003 /nfs/dbraw/zinc/63/80/03/286638003.db2.gz KJSHTIGMYPVZCV-NVXWUHKLSA-N 2 0 321.513 2.892 20 0 DFADRP CSC1(C[NH2+][C@@H]2[C@H]3CCCO[C@@H]3C2(C)C)CC[NH+](C)CC1 ZINC000353633933 286658296 /nfs/dbraw/zinc/65/82/96/286658296.db2.gz YFYABMSWGVRTOM-KFWWJZLASA-N 2 0 312.523 2.607 20 0 DFADRP CC[NH+]1CCN([C@@H]2CC[N@@H+]([C@H](C)c3ccccc3F)C2)CC1 ZINC000245950348 158082189 /nfs/dbraw/zinc/08/21/89/158082189.db2.gz YQEPQWDLGJFESP-HZPDHXFCSA-N 2 0 305.441 2.599 20 0 DFADRP CCCCOC(=O)CC[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000246281671 158083783 /nfs/dbraw/zinc/08/37/83/158083783.db2.gz AYPORONZUKWLSP-DOTOQJQBSA-N 2 0 308.466 2.669 20 0 DFADRP CC[N@H+](C)Cc1cccc(C[NH2+][C@@H]2C[C@@H](C)[NH+](C)C[C@@H]2C)c1 ZINC000246870035 158103342 /nfs/dbraw/zinc/10/33/42/158103342.db2.gz CNGQMXDZHMQNAK-FRQCXROJSA-N 2 0 303.494 2.957 20 0 DFADRP CC[N@H+](C)Cc1cccc(C[NH2+][C@H]2CC[NH+](CC)C[C@@H]2C)c1 ZINC000246873799 158103958 /nfs/dbraw/zinc/10/39/58/158103958.db2.gz CSWCMFWKFPAKHS-LPHOPBHVSA-N 3 0 303.494 2.958 20 0 DFADRP CC(C)[C@H](C)[NH2+]CCCN1CC[N@H+](C)C[C@H]1c1ccccc1 ZINC000246878214 158104035 /nfs/dbraw/zinc/10/40/35/158104035.db2.gz DUOSIYUMEMNATO-HKUYNNGSSA-N 2 0 303.494 2.999 20 0 DFADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@H](c2ccc(F)cc2)N(C)C)[C@H](C)C1 ZINC000247067979 158118044 /nfs/dbraw/zinc/11/80/44/158118044.db2.gz ODWDRIZPRKSFIX-FHLIZLRMSA-N 2 0 307.457 2.748 20 0 DFADRP C[N@@H+]1CCC[C@@H]1CC[NH+]1CCC[C@@H](C(=O)Nc2ccccc2)C1 ZINC000247439926 158136196 /nfs/dbraw/zinc/13/61/96/158136196.db2.gz WOOJYUUHDRWBRY-SJLPKXTDSA-N 2 0 315.461 2.821 20 0 DFADRP CC(C)COCCC[NH2+][C@@H]1CCN(Cc2ccccn2)C[C@H]1C ZINC000248041261 158158886 /nfs/dbraw/zinc/15/88/86/158158886.db2.gz SXVZSXRIBXHKPQ-IEBWSBKVSA-N 2 0 319.493 2.944 20 0 DFADRP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@@H]1c2cccc(F)c2CC[C@H]1C ZINC000248171564 158163260 /nfs/dbraw/zinc/16/32/60/158163260.db2.gz UWTVWBYPGFIKMO-CLCXKQKWSA-N 2 0 319.468 2.675 20 0 DFADRP CN1CC[C@@H]2CC[N@H+](CCCc3ccc4c(c3)CCO4)[C@H]2C1 ZINC000248666418 158195793 /nfs/dbraw/zinc/19/57/93/158195793.db2.gz NQGCXDINDADFAD-AEFFLSMTSA-N 2 0 300.446 2.580 20 0 DFADRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@@H]1C[C@@H](OC(C)C)C1(C)C ZINC000248703056 158196369 /nfs/dbraw/zinc/19/63/69/158196369.db2.gz ALJRLPQGWQHESM-BZUAXINKSA-N 2 0 300.487 2.525 20 0 DFADRP C[C@@H]1C[N@@H+](CCC2CC[NH+](C[C@H]3CCC=CO3)CC2)C[C@H](C)O1 ZINC000248822615 158202359 /nfs/dbraw/zinc/20/23/59/158202359.db2.gz FJWMAJDVWRUWCU-ZIFCJYIRSA-N 2 0 322.493 2.890 20 0 DFADRP C[C@H]([NH2+]CCCN1CCN(c2cc[nH+]cc2)CC1)c1ccco1 ZINC000268781805 158209068 /nfs/dbraw/zinc/20/90/68/158209068.db2.gz CNLCNNLLPBCYBI-INIZCTEOSA-N 2 0 314.433 2.538 20 0 DFADRP CC[NH+](CC)CCOc1ccccc1C[NH2+][C@@H](C)CCOC ZINC000268783024 158209180 /nfs/dbraw/zinc/20/91/80/158209180.db2.gz QKWSFBRKWRNATO-INIZCTEOSA-N 2 0 308.466 2.922 20 0 DFADRP C[C@H]([NH2+]C[C@H](O)C[NH+]1CCCCC1)[C@@H]1C[C@H]1c1ccccc1 ZINC000283405295 158214345 /nfs/dbraw/zinc/21/43/45/158214345.db2.gz QPCOVHZSKJNPBB-WNHJNPCNSA-N 2 0 302.462 2.615 20 0 DFADRP C[C@@H](O)CCC[NH+]1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC000354878455 158240974 /nfs/dbraw/zinc/24/09/74/158240974.db2.gz GQDBDIIUVOHCGF-QGZVFWFLSA-N 2 0 304.478 2.991 20 0 DFADRP CC[C@H](C(=O)N1CCC(CC[N@H+](CC)CC2CC2)CC1)[NH+](C)C ZINC000356892956 158318567 /nfs/dbraw/zinc/31/85/67/158318567.db2.gz KJOQKYBRWFCPAQ-GOSISDBHSA-N 2 0 323.525 2.687 20 0 DFADRP c1cnn(-c2ccc(C[NH+]3CCC([C@H]4CC[NH2+]C4)CC3)cc2)c1 ZINC000357043458 158356218 /nfs/dbraw/zinc/35/62/18/158356218.db2.gz GFWUUCPUYNPKHX-SFHVURJKSA-N 2 0 310.445 2.694 20 0 DFADRP c1nn(Cc2ccccc2)cc1C[NH+]1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000357054481 158356790 /nfs/dbraw/zinc/35/67/90/158356790.db2.gz QCQZKLJDJDYKDE-HXUWFJFHSA-N 2 0 324.472 2.753 20 0 DFADRP CSC[C@](C)(O)C[NH2+]C1CC[NH+]([C@H]2CCCC[C@@H]2C)CC1 ZINC000305127745 286685790 /nfs/dbraw/zinc/68/57/90/286685790.db2.gz LUBMQLQFESLRQN-BHYGNILZSA-N 2 0 314.539 2.733 20 0 DFADRP CCN(C(=O)[C@H](C)[N@@H+]1CCC2(C1)CC[NH2+]CC2)c1ccccc1 ZINC000358506403 158382668 /nfs/dbraw/zinc/38/26/68/158382668.db2.gz JYFLCXGVBXVYRK-INIZCTEOSA-N 2 0 315.461 2.504 20 0 DFADRP Cc1ccc(NC(=O)[C@@H](C)[N@@H+]2CCC3(C2)CC[NH2+]CC3)c(C)c1 ZINC000358505449 158383582 /nfs/dbraw/zinc/38/35/82/158383582.db2.gz IFBWGAANRDKXNJ-MRXNPFEDSA-N 2 0 315.461 2.706 20 0 DFADRP CC[NH2+]CC1CC[NH+](CCCOCCc2ccccc2)CC1 ZINC000430565366 296795308 /nfs/dbraw/zinc/79/53/08/296795308.db2.gz PXCCQEBJEPIWGF-UHFFFAOYSA-N 2 0 304.478 2.957 20 0 DFADRP C[C@H](NC(=O)[C@H](C)[NH+]1CCC(C[NH3+])CC1)c1ccc(Cl)cc1 ZINC000430636630 296801627 /nfs/dbraw/zinc/80/16/27/296801627.db2.gz YYFXQKQXBNUGBE-STQMWFEESA-N 2 0 323.868 2.576 20 0 DFADRP C[C@H]([NH3+])C1CC[NH+](CCCc2nc(-c3ccccc3)no2)CC1 ZINC000430922412 296812175 /nfs/dbraw/zinc/81/21/75/296812175.db2.gz AEHWWYDXSXDPCZ-AWEZNQCLSA-N 2 0 314.433 2.728 20 0 DFADRP CC(C)n1ncc2cc(C[NH+]3CCC4(CC[NH2+]C4)CC3)cnc21 ZINC000430938539 296813519 /nfs/dbraw/zinc/81/35/19/296813519.db2.gz CDGUWBBGEMWXHC-UHFFFAOYSA-N 2 0 313.449 2.588 20 0 DFADRP Cc1ccc(F)cc1NC(=O)[C@H](C)[NH+]1CCC([C@@H](C)[NH3+])CC1 ZINC000430937059 296813558 /nfs/dbraw/zinc/81/35/58/296813558.db2.gz YVORIZQAJODVEZ-OLZOCXBDSA-N 2 0 307.413 2.520 20 0 DFADRP C[NH2+]CC1CC[NH+](Cc2coc(-c3ccc(OC)cc3)n2)CC1 ZINC000430952774 296814460 /nfs/dbraw/zinc/81/44/60/296814460.db2.gz QYVQKBYJUDEQNT-UHFFFAOYSA-N 2 0 315.417 2.782 20 0 DFADRP COc1cc(C[NH+]2CCC3(CC[NH2+]C3)CC2)cc(Cl)c1OC ZINC000430950332 296814622 /nfs/dbraw/zinc/81/46/22/296814622.db2.gz HAYBQRQCPCSOGQ-UHFFFAOYSA-N 2 0 324.852 2.933 20 0 DFADRP CCOc1ccccc1OCC[NH+]1CCC2(CC[NH2+]C2)CC1 ZINC000431031927 296818809 /nfs/dbraw/zinc/81/88/09/296818809.db2.gz FTUFQEVTUMQOFL-UHFFFAOYSA-N 2 0 304.434 2.540 20 0 DFADRP C[C@@H]([NH2+]C[C@@H](O)C[NH+]1CCCCC1)C(C)(C)c1ccccc1 ZINC000151253026 287032067 /nfs/dbraw/zinc/03/20/67/287032067.db2.gz WOTDWAXHPDLFSW-SJLPKXTDSA-N 2 0 304.478 2.789 20 0 DFADRP C[C@H]1C[C@H]1c1ccc(C[NH2+]CCN2CC[N@H+](C)C(C)(C)C2)o1 ZINC000441369674 297181260 /nfs/dbraw/zinc/18/12/60/297181260.db2.gz OACOPHYVEXMYDR-GOEBONIOSA-N 2 0 305.466 2.519 20 0 DFADRP COc1ccc(O[C@H](C)C[NH2+][C@H]2C[C@H](C)[N@H+](C)C[C@H]2C)cc1 ZINC000129016283 196012167 /nfs/dbraw/zinc/01/21/67/196012167.db2.gz UPTUBLZILRVHAD-FSZRXZPDSA-N 2 0 306.450 2.781 20 0 DFADRP CC[N@@H+]1CC[C@@H]([NH2+]Cc2cccc(Cn3cccn3)c2)[C@H](C)C1 ZINC000129401510 196044493 /nfs/dbraw/zinc/04/44/93/196044493.db2.gz IPJLUASVDXBBGW-VQIMIIECSA-N 2 0 312.461 2.751 20 0 DFADRP CC[NH+](CC)CCC[NH2+][C@H]1CCN(Cc2ccccn2)C[C@@H]1C ZINC000131462331 196170653 /nfs/dbraw/zinc/17/06/53/196170653.db2.gz SZDBTQHVQTZINZ-HKUYNNGSSA-N 2 0 318.509 2.614 20 0 DFADRP Cc1ccccc1[C@H](C)[NH2+]C[C@H](C(C)C)N1CC[NH+](C)CC1 ZINC000132318426 196245345 /nfs/dbraw/zinc/24/53/45/196245345.db2.gz FBKIWNXUJDYHQR-PKOBYXMFSA-N 2 0 303.494 2.918 20 0 DFADRP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)[C@@H]2CCC[C@@H]([NH3+])C2)C1 ZINC000237682988 287272129 /nfs/dbraw/zinc/27/21/29/287272129.db2.gz VHFLKDWRXQEACZ-XMTFNYHQSA-N 2 0 321.509 2.617 20 0 DFADRP CCCC[N@H+](C)CC1CC[NH+](Cc2c[nH]c(C(=O)OC)c2)CC1 ZINC000134166949 196367748 /nfs/dbraw/zinc/36/77/48/196367748.db2.gz JSPCCBLKKRZRSB-UHFFFAOYSA-N 2 0 321.465 2.745 20 0 DFADRP CC[C@H]([NH2+]C1CCN(CC[NH+](C)C)CC1)c1ccc(F)cc1 ZINC000150991979 196613875 /nfs/dbraw/zinc/61/38/75/196613875.db2.gz XIISEIIANXWUDH-SFHVURJKSA-N 2 0 307.457 2.892 20 0 DFADRP C[C@@H]1Cc2ccc(F)cc2[C@H]1[NH2+]C1CCN(CC[NH+](C)C)CC1 ZINC000151004909 196615442 /nfs/dbraw/zinc/61/54/42/196615442.db2.gz FLSVHGNAZRDDGG-KUHUBIRLSA-N 2 0 319.468 2.675 20 0 DFADRP Cc1ncc(CN2CCC[C@@H](C[N@H+]3CCCC[C@H]3C)C2)n1C ZINC000667561411 543631073 /nfs/dbraw/zinc/63/10/73/543631073.db2.gz WEYUEMASYSIUKH-NVXWUHKLSA-N 2 0 304.482 2.815 20 0 DFADRP C[C@@H]1CCC[N@H+](CCCC[NH2+][C@H]2CCCc3nn(C)cc32)C1 ZINC000358913649 287348142 /nfs/dbraw/zinc/34/81/42/287348142.db2.gz ITHXXKCDUWAVNH-WBVHZDCISA-N 2 0 304.482 2.899 20 0 DFADRP COC1CCC([N@H+](C)Cc2ccnn2-c2cc[nH+]cc2)CC1 ZINC000667639280 543647379 /nfs/dbraw/zinc/64/73/79/543647379.db2.gz QELSENPTSPYJMY-UHFFFAOYSA-N 2 0 300.406 2.657 20 0 DFADRP COC[C@H](C)Oc1ccc(C[NH+]2CCC(C[NH+](C)C)CC2)cc1 ZINC000667502043 543619386 /nfs/dbraw/zinc/61/93/86/543619386.db2.gz ROCPLVUVMJCNBT-INIZCTEOSA-N 2 0 320.477 2.874 20 0 DFADRP CC[NH+](CC)CC1CC[NH+](Cc2ccnn2CC2CC2)CC1 ZINC000667501776 543619435 /nfs/dbraw/zinc/61/94/35/543619435.db2.gz KQSDJVGSVOGYBW-UHFFFAOYSA-N 2 0 304.482 2.847 20 0 DFADRP Cc1cc(N2CCC[C@H]([NH2+][C@H]3CCC[C@@H]4C[C@@H]43)C2)nc(C)n1 ZINC000667839757 543689790 /nfs/dbraw/zinc/68/97/90/543689790.db2.gz BMJXSZSRJRXBBS-QZWWFDLISA-N 2 0 300.450 2.840 20 0 DFADRP Cn1ncc(C2CCC2)c1CN1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000667663061 543653544 /nfs/dbraw/zinc/65/35/44/543653544.db2.gz BUJAFUREOMLSHR-HNNXBMFYSA-N 2 0 302.466 2.605 20 0 DFADRP CC[N@@H+]1CC[C@H](N(C)Cc2c(C(F)(F)F)cnn2C)[C@@H](C)C1 ZINC000667666083 543655422 /nfs/dbraw/zinc/65/54/22/543655422.db2.gz BXPHXPBNJCFXEG-AAEUAGOBSA-N 2 0 318.387 2.601 20 0 DFADRP Cc1cnc(CC[N@@H+](C)Cc2ccnn2-c2cc[nH+]cc2)s1 ZINC000667682526 543658411 /nfs/dbraw/zinc/65/84/11/543658411.db2.gz NXZMFIFIOXZUSL-UHFFFAOYSA-N 2 0 313.430 2.707 20 0 DFADRP CCC(CC)[C@H](CNC(=O)Nc1cccc(C[NH3+])c1)[NH+](C)C ZINC000667727789 543667712 /nfs/dbraw/zinc/66/77/12/543667712.db2.gz JMSQTUJFAGTUJN-INIZCTEOSA-N 2 0 306.454 2.633 20 0 DFADRP C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)Nc1cccc(C[NH3+])c1 ZINC000667729863 543668554 /nfs/dbraw/zinc/66/85/54/543668554.db2.gz ZCSCFZKYPBHQRO-ZIAGYGMSSA-N 2 0 304.438 2.530 20 0 DFADRP CCN(CCC[NH+]1CCCC1)Cc1ccnn1-c1cc[nH+]cc1 ZINC000668166347 543756427 /nfs/dbraw/zinc/75/64/27/543756427.db2.gz YQAHFTGETCOMDG-UHFFFAOYSA-N 2 0 313.449 2.575 20 0 DFADRP CCCn1ccnc1CCC[N@H+](C)Cc1cnc2n1CCC2 ZINC000668169432 543757679 /nfs/dbraw/zinc/75/76/79/543757679.db2.gz RDYNDJHYBMXEAT-UHFFFAOYSA-N 2 0 301.438 2.500 20 0 DFADRP C[C@@H]1CSC[C@H]1[NH2+]CC1CC[NH+](Cc2ccncc2)CC1 ZINC000668512828 543816822 /nfs/dbraw/zinc/81/68/22/543816822.db2.gz QHXYQVAKZFYNAR-RHSMWYFYSA-N 2 0 305.491 2.635 20 0 DFADRP C[C@@H](CN(C)CCC[NH+](C)C)[NH2+][C@@H]1CS[C@@H](C(C)(C)C)C1 ZINC000668474649 543812159 /nfs/dbraw/zinc/81/21/59/543812159.db2.gz DLGKLKHLWGHLHV-HRCADAONSA-N 2 0 315.571 2.768 20 0 DFADRP CC[C@@H](C[NH+]1CCC([N@@H+]2CC[C@@H](O)C2)CC1)c1ccccc1 ZINC000668738774 543857418 /nfs/dbraw/zinc/85/74/18/543857418.db2.gz GCCLBOSMFROFQW-QFBILLFUSA-N 2 0 302.462 2.711 20 0 DFADRP CC(C)[C@H](C[NH+]1CCC([N@@H+]2CC[C@H](O)C2)CC1)c1ccccc1 ZINC000668738463 543857472 /nfs/dbraw/zinc/85/74/72/543857472.db2.gz DHUJVBNKFCQVNE-PMACEKPBSA-N 2 0 316.489 2.957 20 0 DFADRP CC(C)C1CCC(C[NH+]2CCC([N@@H+]3CC[C@H](O)C3)CC2)CC1 ZINC000668739174 543858239 /nfs/dbraw/zinc/85/82/39/543858239.db2.gz JZVZHCBYPNXJSZ-TVPLGVNVSA-N 2 0 308.510 2.980 20 0 DFADRP CC[C@H](C[NH+]1CCC([N@@H+]2CC[C@@H](O)C2)CC1)c1ccccc1 ZINC000668738775 543858300 /nfs/dbraw/zinc/85/83/00/543858300.db2.gz GCCLBOSMFROFQW-VQIMIIECSA-N 2 0 302.462 2.711 20 0 DFADRP C[C@@H](Cc1ccccc1)C[N@@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000668784677 543866675 /nfs/dbraw/zinc/86/66/75/543866675.db2.gz HNFBHSBZEUMTIR-HKUYNNGSSA-N 2 0 304.478 2.908 20 0 DFADRP C[N@H+](Cc1ccc(OCC[NH+]2CCCC2)cc1)C1(CO)CCC1 ZINC000668802270 543871538 /nfs/dbraw/zinc/87/15/38/543871538.db2.gz JJHSVCPTTXKNSB-UHFFFAOYSA-N 2 0 318.461 2.508 20 0 DFADRP C[C@H](O)[C@H]([NH2+]C1CCN(c2cc[nH+]cc2)CC1)c1ccccc1 ZINC000668787511 543867532 /nfs/dbraw/zinc/86/75/32/543867532.db2.gz BAHSQMDNBFWHSM-KXBFYZLASA-N 2 0 311.429 2.762 20 0 DFADRP C[NH+](C)CCC[C@H]1C[N@H+](Cc2cccc3[nH]ccc32)CCO1 ZINC000668785590 543867563 /nfs/dbraw/zinc/86/75/63/543867563.db2.gz SOFLKRXCAKBUJJ-INIZCTEOSA-N 2 0 301.434 2.711 20 0 DFADRP C[C@@H](O)[C@@H]([NH2+]C1CCN(c2cc[nH+]cc2)CC1)c1ccccc1 ZINC000668787509 543867776 /nfs/dbraw/zinc/86/77/76/543867776.db2.gz BAHSQMDNBFWHSM-DNVCBOLYSA-N 2 0 311.429 2.762 20 0 DFADRP C[C@H]1CCc2ccccc2[C@@H]1[NH2+]CCN1CC[N@H+](C)C(C)(C)C1 ZINC000669618794 543976165 /nfs/dbraw/zinc/97/61/65/543976165.db2.gz PMTDOSAQLWKOJF-QFBILLFUSA-N 2 0 315.505 2.926 20 0 DFADRP C[N@@H+]1CCCC[C@@H]1C(=O)NCC[NH+]1CCC2(CCCCC2)CC1 ZINC000669622379 543976917 /nfs/dbraw/zinc/97/69/17/543976917.db2.gz XGBDMNKYSKVWHR-QGZVFWFLSA-N 2 0 321.509 2.633 20 0 DFADRP CCn1cncc1C[NH+]1CCC(C[NH+]2CCCCCC2)CC1 ZINC000669491689 543956009 /nfs/dbraw/zinc/95/60/09/543956009.db2.gz KMCBRRLWBIRPKA-UHFFFAOYSA-N 2 0 304.482 2.991 20 0 DFADRP COC(C)(C)[C@@H](C)[NH2+]C[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000671109050 544056305 /nfs/dbraw/zinc/05/63/05/544056305.db2.gz UWXNYZZAGJTGEY-SJLPKXTDSA-N 2 0 304.478 2.954 20 0 DFADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1csc(C)c1 ZINC000671683340 544097502 /nfs/dbraw/zinc/09/75/02/544097502.db2.gz QNSHAGAJXWUIHD-INIZCTEOSA-N 2 0 323.506 2.545 20 0 DFADRP C[N@@H+]1CC[C@H]([NH2+]C[C@@H]2OCCc3ccccc32)[C@H]2CCC[C@H]21 ZINC000671751997 544106366 /nfs/dbraw/zinc/10/63/66/544106366.db2.gz KAYDXVMETPQGPE-HCXYKTFWSA-N 2 0 300.446 2.763 20 0 DFADRP COc1ccc(COCC[N@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3C)cc1 ZINC000671724885 544102844 /nfs/dbraw/zinc/10/28/44/544102844.db2.gz IVEDWZYMXDXJBT-JWTNVVGKSA-N 2 0 318.461 2.769 20 0 DFADRP COc1nc(C)cc(C)c1C[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@H]21 ZINC000671745718 544105841 /nfs/dbraw/zinc/10/58/41/544105841.db2.gz RUZCHVQOFBCMIF-USXIJHARSA-N 2 0 303.450 2.669 20 0 DFADRP CC[NH+](CC)CCOCC[NH2+][C@@H](C)c1ccc2[nH]c(=O)oc2c1 ZINC000671760567 544108000 /nfs/dbraw/zinc/10/80/00/544108000.db2.gz HYZGDRNXGACSBP-ZDUSSCGKSA-N 2 0 321.421 2.542 20 0 DFADRP C[N@@H+]1CC[C@H]([NH2+]C[C@H](CO)c2ccc(Cl)cc2)[C@@H]2CCC[C@H]21 ZINC000672618909 544144082 /nfs/dbraw/zinc/14/40/82/544144082.db2.gz FLBCXEDYNNXXNV-LAVFITLUSA-N 2 0 322.880 2.878 20 0 DFADRP CC(C)[C@H](CO)C[NH2+]Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000673610356 544186819 /nfs/dbraw/zinc/18/68/19/544186819.db2.gz BDCJDYXDGAQQRL-SFHVURJKSA-N 2 0 320.477 2.515 20 0 DFADRP CC[NH+](CC)Cc1ccc(C(=O)N[C@H](C)C[N@H+](C)C(C)C)cc1 ZINC000290950676 222024536 /nfs/dbraw/zinc/02/45/36/222024536.db2.gz PWWMMDPWXCVZSG-MRXNPFEDSA-N 2 0 319.493 2.987 20 0 DFADRP CC[C@H](C[NH+]1CCCC1)NC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000674094525 544220001 /nfs/dbraw/zinc/22/00/01/544220001.db2.gz OXMCEDLOPLXDJU-DLBZAZTESA-N 2 0 321.509 2.632 20 0 DFADRP C[C@@H](C(=O)NCc1ccc(C[N@@H+]2CCCC[C@H]2C)cc1)[NH+](C)C ZINC000674245539 544226354 /nfs/dbraw/zinc/22/63/54/544226354.db2.gz PIWXWJYUDUWNEW-CVEARBPZSA-N 2 0 317.477 2.627 20 0 DFADRP CCOc1cc(C[N@@H+]2CCC[C@@H]3C[NH+](C)CC[C@H]32)ccc1O ZINC000297471617 227212098 /nfs/dbraw/zinc/21/20/98/227212098.db2.gz RFRXRIOKIWDQHY-HZPDHXFCSA-N 2 0 304.434 2.707 20 0 DFADRP CCOc1cc(C[N@@H+]2CCC[C@H]3C[NH+](C)CC[C@H]32)ccc1O ZINC000297471622 227212213 /nfs/dbraw/zinc/21/22/13/227212213.db2.gz RFRXRIOKIWDQHY-JKSUJKDBSA-N 2 0 304.434 2.707 20 0 DFADRP Cc1ncc(CNc2cnn(CC[NH+](C)C)c2)n1-c1ccccc1 ZINC000674489043 544242284 /nfs/dbraw/zinc/24/22/84/544242284.db2.gz ZCCCQRWDIICITO-UHFFFAOYSA-N 2 0 324.432 2.551 20 0 DFADRP OC[C@@H](C[NH2+]C1CCN(c2cc[nH+]cc2)CC1)C1CCCCC1 ZINC000297489438 227237394 /nfs/dbraw/zinc/23/73/94/227237394.db2.gz SZGZDQBUGWMTAE-QGZVFWFLSA-N 2 0 317.477 2.829 20 0 DFADRP C[N@@H+]1CCCC[C@@H]1CC[NH+]1C[C@@H]2CN(c3ccccc3)C[C@H]2C1 ZINC000675491113 544316008 /nfs/dbraw/zinc/31/60/08/544316008.db2.gz PEKDKQMKPCITOE-GUDVDZBRSA-N 2 0 313.489 2.929 20 0 DFADRP C[C@H]([NH2+][C@H](c1nccn1C)c1ccccc1)C1CC[NH+](C)CC1 ZINC000675739261 544332296 /nfs/dbraw/zinc/33/22/96/544332296.db2.gz SEXJJORJUPHBIB-YJBOKZPZSA-N 2 0 312.461 2.829 20 0 DFADRP C[C@@H]([NH2+][C@@H](c1nccn1C)c1ccccc1)C1CC[NH+](C)CC1 ZINC000675739255 544332374 /nfs/dbraw/zinc/33/23/74/544332374.db2.gz SEXJJORJUPHBIB-CRAIPNDOSA-N 2 0 312.461 2.829 20 0 DFADRP CC(C)C[C@H]([NH2+]CC(C)(C)N1CC[NH+](C)CC1)c1ccccn1 ZINC000675742370 544332906 /nfs/dbraw/zinc/33/29/06/544332906.db2.gz NXIMKJJTSFRPCX-SFHVURJKSA-N 2 0 318.509 2.784 20 0 DFADRP CC(C)C[C@@H]([NH2+]CC(C)(C)N1CC[NH+](C)CC1)c1ccccn1 ZINC000675742369 544332938 /nfs/dbraw/zinc/33/29/38/544332938.db2.gz NXIMKJJTSFRPCX-GOSISDBHSA-N 2 0 318.509 2.784 20 0 DFADRP C[C@@H]([NH2+]CC(C)(C)N1CC[NH+](C)CC1)c1cc2c(s1)CCC2 ZINC000675741850 544332943 /nfs/dbraw/zinc/33/29/43/544332943.db2.gz INPRZWMJEDPTQB-CQSZACIVSA-N 2 0 321.534 2.913 20 0 DFADRP Cc1ccsc1[C@H](C)[NH2+][C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000675876213 544341307 /nfs/dbraw/zinc/34/13/07/544341307.db2.gz WLVPZJTYAGUGOK-GJZGRUSLSA-N 2 0 307.507 2.876 20 0 DFADRP COc1ccc2[nH]cc(CC[NH2+][C@@H]3CC[N@H+](C)[C@H](C)C3)c2c1 ZINC000675878327 544341350 /nfs/dbraw/zinc/34/13/50/544341350.db2.gz SCZCGVQQNSBYMR-UKRRQHHQSA-N 2 0 301.434 2.791 20 0 DFADRP C[NH+]1CCC(N2CC[C@@H]([NH2+][C@@H]3CCc4c3cccc4F)C2)CC1 ZINC000675871520 544341516 /nfs/dbraw/zinc/34/15/16/544341516.db2.gz FLSZNBCIFXBRQZ-AUUYWEPGSA-N 2 0 317.452 2.571 20 0 DFADRP C[C@H]([NH2+][C@H](CO)CC1CC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000681394918 545637303 /nfs/dbraw/zinc/63/73/03/545637303.db2.gz XIQBLJNWJPGUTO-IPELMVKDSA-N 2 0 302.462 2.648 20 0 DFADRP C[C@H](C[N@H+](C)Cc1ccccc1)NC1CC[NH+](CC2CC2)CC1 ZINC000676112693 544357234 /nfs/dbraw/zinc/35/72/34/544357234.db2.gz NVNHDHOFRTXHQV-QGZVFWFLSA-N 2 0 315.505 2.971 20 0 DFADRP CC(=O)Nc1cccc(C[NH+]2CCC[C@H]3C[N@H+](C)CC[C@H]32)c1 ZINC000676222401 544364415 /nfs/dbraw/zinc/36/44/15/544364415.db2.gz MSOGLSIAJLPTEM-FUHWJXTLSA-N 2 0 301.434 2.561 20 0 DFADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+][C@H](C)c2nc(C)sc2C)CC1 ZINC000676490208 544379433 /nfs/dbraw/zinc/37/94/33/544379433.db2.gz OGDVZPNUWOVZRL-UONOGXRCSA-N 2 0 324.538 2.684 20 0 DFADRP [NH3+]CC[C@@H]1CCC[N@H+](Cc2cnc(-c3ccccn3)s2)C1 ZINC000442917042 297211242 /nfs/dbraw/zinc/21/12/42/297211242.db2.gz BPCCCRJKBDRCCU-ZDUSSCGKSA-N 2 0 302.447 2.766 20 0 DFADRP CC[NH+](CC)CC1CC[NH+](Cc2ccc(N(C)C)nc2)CC1 ZINC000678138961 544609430 /nfs/dbraw/zinc/60/94/30/544609430.db2.gz FPJHONGQLQTRFA-UHFFFAOYSA-N 2 0 304.482 2.701 20 0 DFADRP C[NH+](C)CCOc1ccc(C[N@@H+]2CCC[C@H]3COCC[C@@H]32)cc1 ZINC000678333585 544652258 /nfs/dbraw/zinc/65/22/58/544652258.db2.gz DRESFXLZYPSFRD-HKUYNNGSSA-N 2 0 318.461 2.628 20 0 DFADRP Cc1ccc([C@H](C)[NH2+][C@H]2CCN(C3CC[NH+](C)CC3)C2)c(C)n1 ZINC000678428292 544672029 /nfs/dbraw/zinc/67/20/29/544672029.db2.gz PHZQJYCDSKKVJI-IRXDYDNUSA-N 2 0 316.493 2.518 20 0 DFADRP Cc1ccc([C@H](C)[NH2+]C2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)c(C)n1 ZINC000678598079 544699647 /nfs/dbraw/zinc/69/96/47/544699647.db2.gz AASSZXOJPIYFRC-IPELMVKDSA-N 2 0 317.477 2.727 20 0 DFADRP CC(C)[C@H]([NH2+][C@H]1CCN(C2CC[NH+](C)CC2)C1)c1cccnc1 ZINC000678686347 544710795 /nfs/dbraw/zinc/71/07/95/544710795.db2.gz OXLVAIBYSKMEKS-HKUYNNGSSA-N 2 0 316.493 2.537 20 0 DFADRP CCc1nc2ccccc2n1CC[NH2+][C@H](C)C1CC[NH+](C)CC1 ZINC000679022179 544768800 /nfs/dbraw/zinc/76/88/00/544768800.db2.gz HYSUGJBLXKXZTO-OAHLLOKOSA-N 2 0 314.477 2.919 20 0 DFADRP C[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+][C@@H]2CCc3nccn3C2)CC1 ZINC000679025428 544770269 /nfs/dbraw/zinc/77/02/69/544770269.db2.gz SCMMXQQPRSZFPC-KBAYOESNSA-N 2 0 316.493 2.831 20 0 DFADRP C[C@H]([NH2+][C@@H]1CCC[C@@H](O)C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000679625000 544884749 /nfs/dbraw/zinc/88/47/49/544884749.db2.gz NYKGMYNQNRDXGD-JCHJZTRSSA-N 2 0 302.462 2.790 20 0 DFADRP C[NH+](C)CCOC1CC[NH+](C[C@@H]2CCc3ccccc3C2)CC1 ZINC000679819985 544912487 /nfs/dbraw/zinc/91/24/87/544912487.db2.gz OENHHHWARBYPEQ-QGZVFWFLSA-N 2 0 316.489 2.834 20 0 DFADRP CO[C@@H]1CCC[NH+]([C@H](C)CC[N@H+]2CCC[C@@H](OC)CC2)CC1 ZINC000679954000 544933023 /nfs/dbraw/zinc/93/30/23/544933023.db2.gz OBHIYUBYBUGDBY-KZNAEPCWSA-N 2 0 312.498 2.767 20 0 DFADRP CCO[C@@H]1CCC[N@H+](Cc2cn(-c3cc[nH+]cc3)nc2C)C1 ZINC000680326568 544990262 /nfs/dbraw/zinc/99/02/62/544990262.db2.gz NQYSPXYOXWBUOY-QGZVFWFLSA-N 2 0 300.406 2.577 20 0 DFADRP COc1ccc2c(c1)CC[C@@H]([NH2+][C@@H](C)C1CC[NH+](C)CC1)C2 ZINC000680351979 544995697 /nfs/dbraw/zinc/99/56/97/544995697.db2.gz IMUHCODBBVUKPD-KBXCAEBGSA-N 2 0 302.462 2.872 20 0 DFADRP Cc1ccc2c(c1)[C@@H]([NH2+]CC1CC[NH+](CCN(C)C)CC1)CC2 ZINC000124488998 425922275 /nfs/dbraw/zinc/92/22/75/425922275.db2.gz XLVCZLMVHDSCIC-FQEVSTJZSA-N 2 0 315.505 2.846 20 0 DFADRP COc1ccc([C@@H](C)[NH2+]CC2CC[NH+](CCN(C)C)CC2)cc1 ZINC000124507177 425923576 /nfs/dbraw/zinc/92/35/76/425923576.db2.gz XGVNMFBXWANFFE-MRXNPFEDSA-N 2 0 319.493 2.619 20 0 DFADRP CC[NH+]1CCN([C@H](C)C[NH2+][C@H]2CCc3ccc(C)cc32)CC1 ZINC000155694422 425923746 /nfs/dbraw/zinc/92/37/46/425923746.db2.gz OEFQKGRVDCBKPA-APWZRJJASA-N 2 0 301.478 2.598 20 0 DFADRP CCOc1ccc([C@H](C)[NH2+]C[C@@H](C)N2CC[NH+](CC)CC2)cc1 ZINC000155741152 425925609 /nfs/dbraw/zinc/92/56/09/425925609.db2.gz ZMKRUYSRXFEDES-SJORKVTESA-N 2 0 319.493 2.762 20 0 DFADRP CSc1ccc([C@H](C)[NH2+]CC2CC[NH+](CCO)CC2)cc1 ZINC000173396371 267570684 /nfs/dbraw/zinc/57/06/84/267570684.db2.gz YFFUOUACZGWTOH-AWEZNQCLSA-N 2 0 308.491 2.763 20 0 DFADRP CC[NH+](CC)CCSCC(=O)Nc1ccc([C@@H](C)[NH3+])cc1 ZINC000178208788 267657765 /nfs/dbraw/zinc/65/77/65/267657765.db2.gz FNXSOCSVIZSGLY-CYBMUJFWSA-N 2 0 309.479 2.720 20 0 DFADRP C[NH+]1CCN(CCC[NH2+]Cc2cc(Cl)cc(Cl)c2)CC1 ZINC000037423616 425847966 /nfs/dbraw/zinc/84/79/66/425847966.db2.gz GOPYQMXGABTPMH-UHFFFAOYSA-N 2 0 316.276 2.721 20 0 DFADRP C[NH+](C)[C@@H](CNC(=O)C[NH2+][C@H]1CCCC1(C)C)c1ccccc1 ZINC000191852459 268016981 /nfs/dbraw/zinc/01/69/81/268016981.db2.gz MQKUJQSHVGOYTC-IRXDYDNUSA-N 2 0 317.477 2.574 20 0 DFADRP CN(C)[C@@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1cccc(F)c1 ZINC000192590347 268042378 /nfs/dbraw/zinc/04/23/78/268042378.db2.gz YRQGTHBVDLXYKV-FBVQUNGASA-N 2 0 305.441 2.643 20 0 DFADRP CCC[C@@H](C)[NH+]1CCC(C(=O)NCCC[NH+]2CCCCC2)CC1 ZINC000192776172 268048359 /nfs/dbraw/zinc/04/83/59/268048359.db2.gz KKZCDGKYZHUOCA-QGZVFWFLSA-N 2 0 323.525 2.879 20 0 DFADRP CCCOc1ccc([C@H](C)[NH2+]CCCN2CC[NH+](C)CC2)cc1 ZINC000192924297 268054264 /nfs/dbraw/zinc/05/42/64/268054264.db2.gz JCDAMEHYSOSMHC-KRWDZBQOSA-N 2 0 319.493 2.764 20 0 DFADRP CC[C@H](C)NC(=O)[C@@H](C)[NH2+]Cc1cccc(C[NH+](CC)CC)c1 ZINC000194047545 268089206 /nfs/dbraw/zinc/08/92/06/268089206.db2.gz ATUAIUSARGAFPG-JKSUJKDBSA-N 2 0 319.493 2.921 20 0 DFADRP C=Cn1cc(C[NH2+]CCc2nccn2Cc2ccccc2)cn1 ZINC000194198938 268094571 /nfs/dbraw/zinc/09/45/71/268094571.db2.gz YEPXXFKKUGPVJP-UHFFFAOYSA-N 2 0 307.401 2.561 20 0 DFADRP Cc1ncsc1CN(C)C[C@H]1CC[N@H+](C[C@@H]2CCC=CO2)C1 ZINC000194783095 268115931 /nfs/dbraw/zinc/11/59/31/268115931.db2.gz LHFNWSJCOPHODN-CVEARBPZSA-N 2 0 321.490 2.898 20 0 DFADRP Cc1cccc(C[NH+]2CCN(CCC[NH+]3CCCCC3)CC2)c1 ZINC000195632273 268136741 /nfs/dbraw/zinc/13/67/41/268136741.db2.gz XDZPOBCCTGAMBU-UHFFFAOYSA-N 2 0 315.505 2.989 20 0 DFADRP C[NH+](C)CCCC[NH2+]CC1CCN(C(=O)OC(C)(C)C)CC1 ZINC000226366820 268143637 /nfs/dbraw/zinc/14/36/37/268143637.db2.gz JQNBSUKNVUZWSZ-UHFFFAOYSA-N 2 0 313.486 2.565 20 0 DFADRP O=C(NC[C@@H]1CCC[NH2+]C1)c1ccc(Nc2cc[nH+]cc2)cc1 ZINC000237938201 268162641 /nfs/dbraw/zinc/16/26/41/268162641.db2.gz AWLVWOMHHDMTQJ-CQSZACIVSA-N 2 0 310.401 2.555 20 0 DFADRP CC[NH+](CC)Cc1ccc(C(=O)N2CC[N@H+](C)CC2(C)C)cc1 ZINC000270943470 268237984 /nfs/dbraw/zinc/23/79/84/268237984.db2.gz SYMBTAOYHTUXMH-UHFFFAOYSA-N 2 0 317.477 2.695 20 0 DFADRP O[C@@H]1CCC[C@@H]1[NH+]1CCC([NH2+][C@@H]2CCc3c2cccc3F)CC1 ZINC000271447709 268249232 /nfs/dbraw/zinc/24/92/32/268249232.db2.gz DDIFXZJTZPVZDY-CEXWTWQISA-N 2 0 318.436 2.780 20 0 DFADRP C[C@H](NCc1nnc2n1CCCC2)c1cccc(-n2ccnc2)c1 ZINC000276291879 268261623 /nfs/dbraw/zinc/26/16/23/268261623.db2.gz VSPSOPGFVJQPKI-AWEZNQCLSA-N 2 0 322.416 2.651 20 0 DFADRP CC[C@H]1[NH2+]CC[C@@H]1C(=O)NCc1cccc(C[NH+](CC)CC)c1 ZINC000289935406 268281761 /nfs/dbraw/zinc/28/17/61/268281761.db2.gz LDTHCQBPJFDFSX-ZWKOTPCHSA-N 2 0 317.477 2.533 20 0 DFADRP CC[NH+](CC)Cc1ccc(CNC(=O)[C@@H]2CCC[NH2+][C@@H]2C)cc1 ZINC000289935031 268281778 /nfs/dbraw/zinc/28/17/78/268281778.db2.gz OMCUXBYGXOYRCK-CRAIPNDOSA-N 2 0 317.477 2.533 20 0 DFADRP C[N@@H+]1CC[C@@]2(CC[NH+](CCCc3ccc4c(c3)CCO4)C2)C1 ZINC000292710736 268287384 /nfs/dbraw/zinc/28/73/84/268287384.db2.gz DEOGYUIACFMICQ-LJQANCHMSA-N 2 0 300.446 2.582 20 0 DFADRP CC(C)[N@@H+]1CC[C@@H](C[NH2+]CC(C)(C)NC(=O)OC(C)(C)C)C1 ZINC000310005992 268337159 /nfs/dbraw/zinc/33/71/59/268337159.db2.gz HQBTVLNTTJLQBI-AWEZNQCLSA-N 2 0 313.486 2.610 20 0 DFADRP C[NH+]1CCC(CC[NH2+]CC(C)(C)NC(=O)OC(C)(C)C)CC1 ZINC000310017071 268337493 /nfs/dbraw/zinc/33/74/93/268337493.db2.gz OQIPDGDHFHARDZ-UHFFFAOYSA-N 2 0 313.486 2.611 20 0 DFADRP COc1ccc(C[NH2+]CCc2cn(C)cn2)cc1Br ZINC000313259838 268339519 /nfs/dbraw/zinc/33/95/19/268339519.db2.gz FWTDGZJEPDTEPI-UHFFFAOYSA-N 2 0 324.222 2.524 20 0 DFADRP C[C@H](c1ccccc1Br)N1CCCO[C@H](C[NH3+])C1 ZINC000313350238 268339540 /nfs/dbraw/zinc/33/95/40/268339540.db2.gz MBZQKVQFLDIUQY-VXGBXAGGSA-N 2 0 313.239 2.560 20 0 DFADRP CCOC(=O)N1CCC([NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)CC1 ZINC000321487190 268348153 /nfs/dbraw/zinc/34/81/53/268348153.db2.gz XYFXGBPCZPOPDN-IXDOHACOSA-N 2 0 323.481 2.508 20 0 DFADRP C[C@@H](CCc1ccc2c(c1)OCO2)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000322891704 268349453 /nfs/dbraw/zinc/34/94/53/268349453.db2.gz FCCYILXOJKGYLF-LNRIEFBSSA-N 2 0 316.445 2.951 20 0 DFADRP C[C@@H]1C[C@@H](C[N@@H+]2CCCN(Cc3ccccc3)CC2)CC[NH2+]1 ZINC000323764754 268350088 /nfs/dbraw/zinc/35/00/88/268350088.db2.gz XBJLYDWDPCLYJV-MJGOQNOKSA-N 2 0 301.478 2.582 20 0 DFADRP C[C@@H](C(=O)NC1CCC(C)CC1)[NH+]1CCC(c2ncc[nH]2)CC1 ZINC000331948359 268359338 /nfs/dbraw/zinc/35/93/38/268359338.db2.gz OGUSHJFKVZTJOF-BBBYJDLNSA-N 2 0 318.465 2.673 20 0 DFADRP C[C@H]1C[C@H]([NH2+]Cc2nnc(C3CC[NH2+]CC3)[nH]2)CC(C)(C)C1 ZINC000333554742 268404151 /nfs/dbraw/zinc/40/41/51/268404151.db2.gz JZHWLSUMCLBIPY-JSGCOSHPSA-N 2 0 305.470 2.576 20 0 DFADRP CC[NH+](CC)Cc1ccccc1C[NH2+][C@@H](C)C(=O)NC(C)(C)C ZINC000071124188 425981770 /nfs/dbraw/zinc/98/17/70/425981770.db2.gz ZEZMCBGHFYARTR-HNNXBMFYSA-N 2 0 319.493 2.921 20 0 DFADRP CC1(C)Cc2cc(C[NH2+]C[C@@H]3CC[N@@H+](C4CC4)C3)ccc2O1 ZINC000103340238 425943428 /nfs/dbraw/zinc/94/34/28/425943428.db2.gz DTIWNRPHYVGICL-HNNXBMFYSA-N 2 0 300.446 2.974 20 0 DFADRP Cc1cnn(CCCCC[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)c1 ZINC000158832401 425947851 /nfs/dbraw/zinc/94/78/51/425947851.db2.gz OUPWMACZPLCEOV-QZTJIDSGSA-N 2 0 304.482 2.778 20 0 DFADRP CC[NH+]1CCN(Cc2ccccc2C[NH2+]Cc2ccco2)CC1 ZINC000069708699 425953795 /nfs/dbraw/zinc/95/37/95/425953795.db2.gz GPNCJFLWOHLAHR-UHFFFAOYSA-N 2 0 313.445 2.707 20 0 DFADRP C[C@@H](CCn1cccn1)[NH2+]Cc1ccc(C[NH+](C)C)c(F)c1 ZINC000159182534 425956238 /nfs/dbraw/zinc/95/62/38/425956238.db2.gz FRIRXCRPFYRTGM-AWEZNQCLSA-N 2 0 304.413 2.652 20 0 DFADRP O[C@H](C[NH2+][C@H]1CCC[C@@H](c2cccnc2)C1)C[NH+]1CCCCC1 ZINC000337330022 268477342 /nfs/dbraw/zinc/47/73/42/268477342.db2.gz GCAIVMJUYCWMPF-NZSAHSFTSA-N 2 0 317.477 2.544 20 0 DFADRP C[C@H](CC(=O)OC(C)(C)C)[NH2+]Cc1ccc(C[NH+](C)C)cc1 ZINC000109075853 426027337 /nfs/dbraw/zinc/02/73/37/426027337.db2.gz RURGWFWJMGFQNX-CQSZACIVSA-N 2 0 306.450 2.958 20 0 DFADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CCc2ccc(C)nc2)[C@H](C)C1 ZINC000161572041 426029881 /nfs/dbraw/zinc/02/98/81/426029881.db2.gz RZCUGTWFNVEPQP-VQIMIIECSA-N 2 0 319.493 2.659 20 0 DFADRP C[C@H]([NH2+]Cc1ccc(CN2CC[NH+](C)CC2)cc1)C(C)(C)C ZINC000126729097 426033869 /nfs/dbraw/zinc/03/38/69/426033869.db2.gz IKFWUHAPTRGOSN-INIZCTEOSA-N 2 0 303.494 2.958 20 0 DFADRP Cc1nccn1CCCC[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000162039520 426049387 /nfs/dbraw/zinc/04/93/87/426049387.db2.gz OZPLIUNEWKJWSY-SFHVURJKSA-N 2 0 304.482 2.780 20 0 DFADRP CC[C@](C)(O)C[N@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000162211485 426056583 /nfs/dbraw/zinc/05/65/83/426056583.db2.gz GLRFRCWAFINZOG-SFHVURJKSA-N 2 0 305.466 2.781 20 0 DFADRP C[C@H]([NH2+]CCCN1CC[NH+](C)CC1)C(C)(C)c1ccccc1 ZINC000162488472 426066540 /nfs/dbraw/zinc/06/65/40/426066540.db2.gz TWLVJIUOCINPBZ-KRWDZBQOSA-N 2 0 303.494 2.580 20 0 DFADRP COC(=O)[C@@H](C)[C@@H]([NH2+]CCCn1ccnc1C)c1ccccc1 ZINC000127450723 426067099 /nfs/dbraw/zinc/06/70/99/426067099.db2.gz OCGISOAHFRCTSX-WMLDXEAASA-N 2 0 315.417 2.722 20 0 DFADRP C[C@@H]([NH2+]CCCN1CC[NH+](C)CC1)c1cc2c(s1)CCC2 ZINC000162531097 426068413 /nfs/dbraw/zinc/06/84/13/426068413.db2.gz HNNCCMDHGSRBIF-CQSZACIVSA-N 2 0 307.507 2.525 20 0 DFADRP C[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]CCc2cnn(C)c2)CC1 ZINC000127931568 426093605 /nfs/dbraw/zinc/09/36/05/426093605.db2.gz RIXXJNZZBGCDJK-QAPCUYQASA-N 2 0 304.482 2.595 20 0 DFADRP CC[N@@H+]1CC[C@@H](C[NH2+][C@@H](C)c2cccc(OCC[NH+](C)C)c2)C1 ZINC000163244684 426094455 /nfs/dbraw/zinc/09/44/55/426094455.db2.gz ABXBKXZKZANJHK-IRXDYDNUSA-N 3 0 319.493 2.619 20 0 DFADRP COCCN1CCC[C@H]1C[NH2+][C@H]1c2cc(F)ccc2C[C@@H]1C ZINC000163458768 426100549 /nfs/dbraw/zinc/10/05/49/426100549.db2.gz WBYOPRVUVVYGKE-QANKJYHBSA-N 2 0 306.425 2.759 20 0 DFADRP CCOC(=O)CCC[N@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000076109790 426100793 /nfs/dbraw/zinc/10/07/93/426100793.db2.gz BMSZGLKTDIWQEY-GOSISDBHSA-N 2 0 318.461 2.784 20 0 DFADRP Cc1cc(C)cc([C@H](C)[NH2+]CCCN2CCC[N@H+](C)CC2)c1 ZINC000128237251 426108004 /nfs/dbraw/zinc/10/80/04/426108004.db2.gz TZIPEARWXZIEHI-SFHVURJKSA-N 2 0 303.494 2.982 20 0 DFADRP C[C@@H](CCc1ccccc1F)[NH2+]CCCN1CCC[N@H+](C)CC1 ZINC000128401158 426115165 /nfs/dbraw/zinc/11/51/65/426115165.db2.gz IGFFCQLLNFCXPN-KRWDZBQOSA-N 2 0 321.484 2.764 20 0 DFADRP CC(C)[C@@H]([NH3+])C(=O)Nc1ccc(C[NH+]2CCC(C)CC2)cc1 ZINC000164557930 426115743 /nfs/dbraw/zinc/11/57/43/426115743.db2.gz PBTTVAIHPLLMGK-QGZVFWFLSA-N 2 0 303.450 2.840 20 0 DFADRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@@H]1CCCOc2ccccc21 ZINC000166015573 426125683 /nfs/dbraw/zinc/12/56/83/426125683.db2.gz OYDCOFAXYKVELU-NVXWUHKLSA-N 2 0 306.450 2.847 20 0 DFADRP CC(C)[N@H+](C)Cc1cccc(CNC(=O)C2([NH3+])CCCCC2)c1 ZINC000166000529 426126198 /nfs/dbraw/zinc/12/61/98/426126198.db2.gz MGQUBINNFXRUSZ-UHFFFAOYSA-N 2 0 317.477 2.805 20 0 DFADRP C[C@H]1C[C@H](C)C[NH+](C(C)(C)CNC(=O)c2ccc(C[NH3+])cc2)C1 ZINC000166046899 426126213 /nfs/dbraw/zinc/12/62/13/426126213.db2.gz FYORQUILLJTADW-GJZGRUSLSA-N 2 0 317.477 2.632 20 0 DFADRP CCC[C@H]([NH3+])C(=O)Nc1cccc(C[NH+]2CCSCC2)c1C ZINC000166722111 426128623 /nfs/dbraw/zinc/12/86/23/426128623.db2.gz ZOBSHSNXMHKGQR-HNNXBMFYSA-N 2 0 321.490 2.610 20 0 DFADRP CC[C@H]([NH2+]C[C@H](C)N1CC[NH+](C)CC1)c1ccc(F)cc1F ZINC000127590835 426074696 /nfs/dbraw/zinc/07/46/96/426074696.db2.gz VJMYPYHWSLOCNF-GUYCJALGSA-N 2 0 311.420 2.641 20 0 DFADRP CC[NH+](CC)Cc1ccc(C(=O)NC[C@@H](C)[NH+](CC)CC)cc1 ZINC000338164091 268630992 /nfs/dbraw/zinc/63/09/92/268630992.db2.gz PMURUGQQAUDIQV-MRXNPFEDSA-N 2 0 319.493 2.989 20 0 DFADRP Cc1cnn([C@H]2CCC[N@H+](CCCCn3ccnc3C)C2)c1 ZINC000162986006 426084522 /nfs/dbraw/zinc/08/45/22/426084522.db2.gz KZZHSKMJSQJVND-KRWDZBQOSA-N 2 0 301.438 2.814 20 0 DFADRP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CC[NH+](CCc2ccccc2)CC1 ZINC000112648786 426086795 /nfs/dbraw/zinc/08/67/95/426086795.db2.gz KHJDLXJVMLWREF-KDURUIRLSA-N 2 0 315.505 2.720 20 0 DFADRP CC[NH+]1CCN(CCC[NH2+][C@H]2CC[C@@H](c3ccccc3)C2)CC1 ZINC000130482438 426160369 /nfs/dbraw/zinc/16/03/69/426160369.db2.gz YAROHGIQCMSESF-UXHICEINSA-N 2 0 315.505 2.940 20 0 DFADRP C[C@@H]([NH2+]CCc1cccnc1)c1ccc(OCC[NH+](C)C)cc1 ZINC000133452701 426177815 /nfs/dbraw/zinc/17/78/15/426177815.db2.gz YLXHIHUCDZCYIW-MRXNPFEDSA-N 2 0 313.445 2.915 20 0 DFADRP CSc1ccc(C[N@H+](C)CC2CC[NH+](C[C@@H](C)O)CC2)cc1 ZINC000171587931 426197338 /nfs/dbraw/zinc/19/73/38/426197338.db2.gz AJLQJXDBDTVQSJ-OAHLLOKOSA-N 2 0 322.518 2.933 20 0 DFADRP C[N@@H+](Cc1ccc(Br)cn1)CC1CC[NH+](C)CC1 ZINC000134891218 426198467 /nfs/dbraw/zinc/19/84/67/426198467.db2.gz IXZNSIOINDKBJO-UHFFFAOYSA-N 2 0 312.255 2.618 20 0 DFADRP CN1CCN([C@@H]2CCCC[N@H+](C/C=C/c3ccccc3)C2)CC1 ZINC000136067517 426234142 /nfs/dbraw/zinc/23/41/42/426234142.db2.gz KLMSETJHJFVNKR-JRMCHAMMSA-N 2 0 313.489 2.802 20 0 DFADRP CSC[C@@](C)(O)C[NH2+][C@@H]1C[C@H](C)CN(Cc2ccccc2)C1 ZINC000136450694 426241237 /nfs/dbraw/zinc/24/12/37/426241237.db2.gz MDRUIEIPIURSQI-JQHSSLGASA-N 2 0 322.518 2.601 20 0 DFADRP Cc1cccc(C)c1NC(=O)CCC[N@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000137413728 426253714 /nfs/dbraw/zinc/25/37/14/426253714.db2.gz CJHPJASMVYGGDB-KRWDZBQOSA-N 2 0 317.477 2.906 20 0 DFADRP CC[NH+](CC)[C@H](CN[C@@H]1C[C@H](C)[N@H+](C)C[C@@H]1C)c1ccco1 ZINC000119086220 426260280 /nfs/dbraw/zinc/26/02/80/426260280.db2.gz GDBNEYIVUFOLKX-MWDXBVQZSA-N 2 0 307.482 2.981 20 0 DFADRP Cc1cnn(CCCCC[N@@H+]2CC[C@@H](C[NH+]3CCCC3)C2)c1 ZINC000150845120 426263907 /nfs/dbraw/zinc/26/39/07/426263907.db2.gz PCDVQRFKVGGSCB-SFHVURJKSA-N 2 0 304.482 2.780 20 0 DFADRP CCc1nc(C)c([C@@H](C)[NH2+]C2CCN(CC[NH+](C)C)CC2)s1 ZINC000150949314 426269573 /nfs/dbraw/zinc/26/95/73/426269573.db2.gz DELNAHGICZPDLK-CYBMUJFWSA-N 2 0 324.538 2.691 20 0 DFADRP CC[N@@H+]1CC[C@@H]([NH2+]CCCCNC(=O)OC(C)(C)C)[C@H](C)C1 ZINC000119669613 426301518 /nfs/dbraw/zinc/30/15/18/426301518.db2.gz BWUFWDUUQMWKBK-HUUCEWRRSA-N 2 0 313.486 2.611 20 0 DFADRP COC(=O)c1ccc(CN(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)cc1F ZINC000151664278 426306537 /nfs/dbraw/zinc/30/65/37/426306537.db2.gz NFEYTVSVUKJWOT-TZMCWYRMSA-N 2 0 308.397 2.527 20 0 DFADRP C[C@H]([NH2+]CC1CC[NH+](CCO)CC1)c1cc2c(s1)CCCC2 ZINC000151827987 426314217 /nfs/dbraw/zinc/31/42/17/426314217.db2.gz BWWNOGDTRARWES-AWEZNQCLSA-N 2 0 322.518 2.982 20 0 DFADRP CN(C)[C@@H](C[NH2+][C@H]1[C@@H]2CCO[C@@H]2C12CCC2)Cc1ccccc1 ZINC000120936298 426317391 /nfs/dbraw/zinc/31/73/91/426317391.db2.gz VCIYBVHCFWWHEE-XWSJACJDSA-N 2 0 314.473 2.707 20 0 DFADRP CC[N@@H+]1CC[C@@H]([NH2+]CCCc2cc(OC)ccc2OC)[C@H](C)C1 ZINC000090888335 426332821 /nfs/dbraw/zinc/33/28/21/426332821.db2.gz IHGZHAGVMNETSQ-CRAIPNDOSA-N 2 0 320.477 2.956 20 0 DFADRP Cc1nccn1-c1ccc([C@H](C)NC(=O)[C@@H]([NH3+])C(C)(C)C)cc1 ZINC000119326601 426279576 /nfs/dbraw/zinc/27/95/76/426279576.db2.gz BWFXAMHOVXHBCF-BLLLJJGKSA-N 2 0 314.433 2.731 20 0 DFADRP CC(C)[N@@H+]1CCCC[C@H]1C(=O)N1CCC(C[NH+]2CCCC2)CC1 ZINC000175188523 426285901 /nfs/dbraw/zinc/28/59/01/426285901.db2.gz KMXGPMPEDGXQEU-SFHVURJKSA-N 2 0 321.509 2.584 20 0 DFADRP Cc1cccc2c1[C@H](C)C[C@H]2[NH2+]C[C@@H](C)N1CC[NH+](C)CC1 ZINC000153617906 426395527 /nfs/dbraw/zinc/39/55/27/426395527.db2.gz UZLQLJNYXVHKTI-JFIYKMOQSA-N 2 0 301.478 2.769 20 0 DFADRP CC[C@H]1CN(CC(=O)Nc2ccc(Cl)cc2C)CC[C@@H]1[NH3+] ZINC000122839963 426396904 /nfs/dbraw/zinc/39/69/04/426396904.db2.gz TUPHETKVULEXNQ-JSGCOSHPSA-N 2 0 309.841 2.646 20 0 DFADRP CC[C@H]1C[N@H+](CCC(=O)Nc2cccc(Cl)c2)CC[C@@H]1[NH3+] ZINC000122902581 426401937 /nfs/dbraw/zinc/40/19/37/426401937.db2.gz WKBNPGFBEJZMNT-WFASDCNBSA-N 2 0 309.841 2.728 20 0 DFADRP OCc1ccc(CN2CCC[C@@H](C[NH+]3CCCCCC3)C2)o1 ZINC000093016707 426352707 /nfs/dbraw/zinc/35/27/07/426352707.db2.gz QDCWAYZMWWJQFF-INIZCTEOSA-N 2 0 306.450 2.860 20 0 DFADRP C[C@@H]([NH2+][C@H](C)[C@@H]1CCCO1)c1cccc(OCC[NH+](C)C)c1 ZINC000152872216 426358927 /nfs/dbraw/zinc/35/89/27/426358927.db2.gz ODWZVIGGCGQRSF-RKVPGOIHSA-N 2 0 306.450 2.845 20 0 DFADRP Cc1cnc(C[NH2+][C@H]2CCN(Cc3ccccn3)C[C@@H]2C)s1 ZINC000123021620 426408674 /nfs/dbraw/zinc/40/86/74/426408674.db2.gz HQTAVOXHWQDWAR-BBRMVZONSA-N 2 0 316.474 2.847 20 0 DFADRP CCc1ccc(NC(=O)CN(C)[C@H]2CC[N@H+](C)[C@H](C)C2)cc1 ZINC000123024270 426409430 /nfs/dbraw/zinc/40/94/30/426409430.db2.gz PLFICJKXEHVULW-PBHICJAKSA-N 2 0 303.450 2.602 20 0 DFADRP C[C@H]1C[C@H](NCc2cccnc2OC2CCCC2)CC[N@@H+]1C ZINC000153875310 426411399 /nfs/dbraw/zinc/41/13/99/426411399.db2.gz JZPFPHCXJLHNST-GOEBONIOSA-N 2 0 303.450 2.975 20 0 DFADRP CC[C@H](C[NH2+][C@@H](COC)C1CC1)N1CCc2ccccc2C1 ZINC000123139446 426415909 /nfs/dbraw/zinc/41/59/09/426415909.db2.gz UBRXXFCQYAFAGS-MOPGFXCFSA-N 2 0 302.462 2.838 20 0 DFADRP CC1(C)[C@@H](c2ccccc2)C[C@@H]1[NH2+]CC1CC[NH+](CCO)CC1 ZINC000123192440 426418743 /nfs/dbraw/zinc/41/87/43/426418743.db2.gz HIFZSEPBSQERLH-MOPGFXCFSA-N 2 0 316.489 2.863 20 0 DFADRP C[NH+](C)CCCC1CC[NH+](C[C@@H](O)c2ccc(F)cc2)CC1 ZINC000123392288 426431068 /nfs/dbraw/zinc/43/10/68/426431068.db2.gz MCJRUHLSRHGYKP-GOSISDBHSA-N 2 0 308.441 2.913 20 0 DFADRP CC[NH+]1CCN(CCC[NH2+][C@@H](C)c2cc(F)ccc2F)CC1 ZINC000154232147 426431844 /nfs/dbraw/zinc/43/18/44/426431844.db2.gz CXHFMVUJSQIKAE-AWEZNQCLSA-N 2 0 311.420 2.643 20 0 DFADRP CC[NH+]1CCN(CCC[NH2+][C@H](C)c2cc(F)cc(F)c2)CC1 ZINC000154282945 426433862 /nfs/dbraw/zinc/43/38/62/426433862.db2.gz QZRSOVXZNRGLRN-CQSZACIVSA-N 2 0 311.420 2.643 20 0 DFADRP Cc1ccc(NC(=O)C[NH+]2CCC(CCC[NH+](C)C)CC2)cc1 ZINC000123638853 426445150 /nfs/dbraw/zinc/44/51/50/426445150.db2.gz MFWDKWQXBPIFTQ-UHFFFAOYSA-N 2 0 317.477 2.987 20 0 DFADRP CS[C@H]1CN(c2cc[nH+]c3cc(F)ccc32)C[C@H]1[NH+](C)C ZINC000340739627 269006336 /nfs/dbraw/zinc/00/63/36/269006336.db2.gz GYOQTQBWBYQOFL-CVEARBPZSA-N 2 0 305.422 2.856 20 0 DFADRP C[C@@H]([NH2+]C[C@@H](O)CN1CCc2ccccc2C1)C1CCCCC1 ZINC000177209419 426453642 /nfs/dbraw/zinc/45/36/42/426453642.db2.gz YZQFTBUUYSMBJK-OXQOHEQNSA-N 2 0 316.489 2.964 20 0 DFADRP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@@H](C)C(C)(C)c1ccccc1 ZINC000154905709 426458616 /nfs/dbraw/zinc/45/86/16/426458616.db2.gz DRIQEEWPENCAQX-SJORKVTESA-N 2 0 303.494 2.578 20 0 DFADRP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@H](C)c1ccc2c(c1)CCCC2 ZINC000155096480 426462915 /nfs/dbraw/zinc/46/29/15/426462915.db2.gz OMTUCHFECLKKDU-IAGOWNOFSA-N 2 0 315.505 2.852 20 0 DFADRP CC(C)[C@H](C[NH2+][C@@H]1CCCc2sccc21)N1CC[NH+](C)CC1 ZINC000102196567 426488215 /nfs/dbraw/zinc/48/82/15/426488215.db2.gz ADRXFWMFEKRZNP-SJORKVTESA-N 2 0 321.534 2.987 20 0 DFADRP COc1cccc([C@H](C)[NH2+]C2CC[NH+](C[C@H]3CCOC3)CC2)c1 ZINC000177351969 426470597 /nfs/dbraw/zinc/47/05/97/426470597.db2.gz QPAMSPYIDCSVAJ-JKSUJKDBSA-N 2 0 318.461 2.847 20 0 DFADRP CC[N@@H+]1CC[C@H](CNCc2c(C)nn(-c3ccccc3)c2C)C1 ZINC000124172723 426473651 /nfs/dbraw/zinc/47/36/51/426473651.db2.gz WAGLKNUHMGKLTI-QGZVFWFLSA-N 2 0 312.461 2.921 20 0 DFADRP CN(CC[N@H+](C)Cc1cccc(Cl)c1)C1CC[NH+](C)CC1 ZINC000177376807 426473750 /nfs/dbraw/zinc/47/37/50/426473750.db2.gz MJXWPCIMSQNLNJ-UHFFFAOYSA-N 2 0 309.885 2.798 20 0 DFADRP C[C@@H]([NH2+]C[C@H]1CC[N@@H+](C2CC2)C1)c1ccc2c(c1)OCCCO2 ZINC000124373084 426482986 /nfs/dbraw/zinc/48/29/86/426482986.db2.gz NRIUSKSDUWQELT-HUUCEWRRSA-N 2 0 316.445 2.983 20 0 DFADRP CC(=O)Nc1cccc(C[NH+]2CCC(CC[NH+](C)C)CC2)c1 ZINC000101726957 426486068 /nfs/dbraw/zinc/48/60/68/426486068.db2.gz YBQZCGXOXIEFTM-UHFFFAOYSA-N 2 0 303.450 2.809 20 0 DFADRP C[C@@H](CCc1ccccc1)[NH2+][C@@H](C)CCN1CC[NH+](C)CC1 ZINC000186581493 426554392 /nfs/dbraw/zinc/55/43/92/426554392.db2.gz LJIXDUPMJGEZRU-ROUUACIJSA-N 2 0 303.494 2.623 20 0 DFADRP CC[N@@H+]1CC[C@@H]([NH2+]C2CCC(O)(c3cccnc3)CC2)[C@H](C)C1 ZINC000186335573 426508146 /nfs/dbraw/zinc/50/81/46/426508146.db2.gz NHZXGVJWJWHYCB-ZTRSQXPZSA-N 2 0 317.477 2.532 20 0 DFADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1[NH2+]C1CCC(O)(c2cccnc2)CC1 ZINC000186342104 426509181 /nfs/dbraw/zinc/50/91/81/426509181.db2.gz OFTYRISJOGXEKX-QIOBLTBWSA-N 2 0 317.477 2.530 20 0 DFADRP CCC[NH+]1CCC([NH2+]C2CCC(O)(c3cccnc3)CC2)CC1 ZINC000186343387 426509588 /nfs/dbraw/zinc/50/95/88/426509588.db2.gz VBVBSAKXWGAPJP-UHFFFAOYSA-N 2 0 317.477 2.676 20 0 DFADRP C[C@@H]([NH2+]CCCn1ccnc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272377013 426510469 /nfs/dbraw/zinc/51/04/69/426510469.db2.gz BLYZKIICOGYAQU-IEBWSBKVSA-N 2 0 312.461 2.773 20 0 DFADRP C[C@@H]([NH2+][C@@H](C)c1cnn(C)c1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272392644 426515454 /nfs/dbraw/zinc/51/54/54/426515454.db2.gz YCOUZKAIWSPOPQ-SOLBZPMBSA-N 2 0 312.461 2.981 20 0 DFADRP C[C@H](CCc1cccc(F)c1)[NH2+][C@@H](C)CCN1CC[NH+](C)CC1 ZINC000186581961 426554727 /nfs/dbraw/zinc/55/47/27/426554727.db2.gz VVLGICDTHLZJJS-SJORKVTESA-N 2 0 321.484 2.762 20 0 DFADRP OC[C@@H](Cc1ccccc1)[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000186430803 426524685 /nfs/dbraw/zinc/52/46/85/426524685.db2.gz WHVCDCUGNHDOIF-LJQANCHMSA-N 2 0 316.489 2.977 20 0 DFADRP C[C@H]1C[C@H](NC2CC[NH+](CCc3ccccc3)CC2)CC[N@@H+]1C ZINC000177968738 426547635 /nfs/dbraw/zinc/54/76/35/426547635.db2.gz UUUNHBTVGJRMKJ-FXAWDEMLSA-N 2 0 315.505 2.766 20 0 DFADRP CCCOc1ccc([C@H](C)[NH2+][C@@H](C)CN2CC[NH+](C)CC2)cc1 ZINC000177969844 426548101 /nfs/dbraw/zinc/54/81/01/426548101.db2.gz IOELBNGISZWVHO-IRXDYDNUSA-N 2 0 319.493 2.762 20 0 DFADRP C[C@@H]1C[C@@H]([NH2+]CC2(C)CC[NH+](C)CC2)CN1Cc1ccccc1 ZINC000272525439 426549084 /nfs/dbraw/zinc/54/90/84/426549084.db2.gz JMBKLBPTLWFSNE-IEBWSBKVSA-N 2 0 315.505 2.971 20 0 DFADRP c1ccc(C[NH+]2C[C@H]3C[N@H+](CC[C@H]4CCCO4)C[C@H]3C2)cc1 ZINC000280332751 426551691 /nfs/dbraw/zinc/55/16/91/426551691.db2.gz HIZITIPCWKAYOG-CEXWTWQISA-N 2 0 300.446 2.619 20 0 DFADRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+][C@@H](C)c1cc(F)cc(F)c1 ZINC000186569605 426552743 /nfs/dbraw/zinc/55/27/43/426552743.db2.gz WUVBZPSXGLOSLY-KGLIPLIRSA-N 2 0 311.420 2.641 20 0 DFADRP CC[C@H](Cc1ccc(C)cc1)[NH2+][C@@H](C)CCN1CC[NH+](C)CC1 ZINC000186570817 426552861 /nfs/dbraw/zinc/55/28/61/426552861.db2.gz SOBPOPFNTOYISX-AZUAARDMSA-N 2 0 317.521 2.932 20 0 DFADRP C[C@H](O)C[C@H](C)C[NH2+][C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272548813 426553721 /nfs/dbraw/zinc/55/37/21/426553721.db2.gz DWFYUNMCQXFHIZ-LSTDLKDCSA-N 2 0 304.478 2.894 20 0 DFADRP CC(C)c1nc([C@@H](C)[NH2+]CCCN2CC[NH+](C)CC2)cs1 ZINC000186215294 426494155 /nfs/dbraw/zinc/49/41/55/426494155.db2.gz YCIQFYBHSMPLHX-CQSZACIVSA-N 2 0 310.511 2.555 20 0 DFADRP CCO[C@H]1C[C@H]([NH2+]CCC[NH+]2CCC(C)CC2)C12CCOCC2 ZINC000186214475 426494591 /nfs/dbraw/zinc/49/45/91/426494591.db2.gz ZLGWKTCMXSJZTN-ROUUACIJSA-N 2 0 324.509 2.672 20 0 DFADRP Cc1cc(C[NH+]2CCC(C[NH+]3CCOCC3)CC2)c(C)s1 ZINC000195027529 426498975 /nfs/dbraw/zinc/49/89/75/426498975.db2.gz QAONCLPOSAPOEB-UHFFFAOYSA-N 2 0 308.491 2.909 20 0 DFADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1NC[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000195137452 426501806 /nfs/dbraw/zinc/50/18/06/426501806.db2.gz CZNOMDNXQHVUSZ-IZBJGVDFSA-N 3 0 315.505 2.827 20 0 DFADRP CC[C@@H]1CCCC[N@@H+]1CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000177660117 426502080 /nfs/dbraw/zinc/50/20/80/426502080.db2.gz JNARHDWAKCZWKI-MSOLQXFVSA-N 2 0 317.477 2.670 20 0 DFADRP CC[C@@H]([NH2+]C[C@H]1CC[N@H+](Cc2ccccc2)C1)c1cnn(C)c1 ZINC000195136318 426502860 /nfs/dbraw/zinc/50/28/60/426502860.db2.gz HCRMZRALENMXEA-IEBWSBKVSA-N 2 0 312.461 2.983 20 0 DFADRP C[NH+](C)C[C@@H]1CC[N@H+](CCC(=O)Nc2ccc(Cl)cc2)C1 ZINC000265106324 426582406 /nfs/dbraw/zinc/58/24/06/426582406.db2.gz AWAKBJOZQPTXRE-ZDUSSCGKSA-N 2 0 309.841 2.552 20 0 DFADRP C[C@H]1C[C@H]([NH2+]CCCN2CCC[N@H+](C)CC2)c2ccccc21 ZINC000289102565 426584233 /nfs/dbraw/zinc/58/42/33/426584233.db2.gz CFYAMWIOEXRXSI-LPHOPBHVSA-N 2 0 301.478 2.852 20 0 DFADRP C[C@H]1C[C@@H](NC[C@@H](C2CC2)[NH+](C)Cc2ccccc2)CC[N@@H+]1C ZINC000186878361 426603290 /nfs/dbraw/zinc/60/32/90/426603290.db2.gz WXGHQJMIFOEYKC-VDGAXYAQSA-N 2 0 315.505 2.969 20 0 DFADRP CCC[C@@H](C)[NH+]1CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC1 ZINC000186905489 426606774 /nfs/dbraw/zinc/60/67/74/426606774.db2.gz QNQILORSBOESST-OAHLLOKOSA-N 2 0 311.514 2.591 20 0 DFADRP CCC(C)(C)[NH2+][C@@H](C)C(=O)NCc1ccc(F)c(C[NH+](C)C)c1 ZINC000273170219 426607509 /nfs/dbraw/zinc/60/75/09/426607509.db2.gz DUJFQGGGCCTFBV-ZDUSSCGKSA-N 2 0 323.456 2.670 20 0 DFADRP COc1cc(C)c([C@H](C)[NH2+]CCCN2CC[NH+](C)CC2)cc1C ZINC000273181517 426609110 /nfs/dbraw/zinc/60/91/10/426609110.db2.gz OFQSYGKSVWAHLH-KRWDZBQOSA-N 2 0 319.493 2.600 20 0 DFADRP CCO[C@@H](CC[NH+](C)C)C[NH2+][C@H]1CCc2c1ccc(OC)c2F ZINC000289272079 426616633 /nfs/dbraw/zinc/61/66/33/426616633.db2.gz PIMYAAXIKFPEPL-BBRMVZONSA-N 2 0 324.440 2.768 20 0 DFADRP CCO[C@@H](CC[NH+](C)C)C[NH2+][C@@H]1CCc2c1ccc(OC)c2F ZINC000289272088 426618080 /nfs/dbraw/zinc/61/80/80/426618080.db2.gz PIMYAAXIKFPEPL-XJKSGUPXSA-N 2 0 324.440 2.768 20 0 DFADRP C[C@@H]([NH2+][C@@H](C)CCN1CC[NH+](C)CC1)c1ccc2c(c1)CCC2 ZINC000186605048 426563847 /nfs/dbraw/zinc/56/38/47/426563847.db2.gz IZCJZCBENVZBEO-DLBZAZTESA-N 2 0 315.505 2.852 20 0 DFADRP Cc1nc(C[C@@H]2CCC[N@H+](CCCc3cnccc3C)C2)no1 ZINC000289344299 426631617 /nfs/dbraw/zinc/63/16/17/426631617.db2.gz MFPCIRBHMADORD-INIZCTEOSA-N 2 0 314.433 2.969 20 0 DFADRP COc1ccc2c(c1F)CC[C@@H]2[NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000289365970 426637784 /nfs/dbraw/zinc/63/77/84/426637784.db2.gz ZRWHGRQXYXBOPY-LRDDRELGSA-N 2 0 304.409 2.896 20 0 DFADRP CCCc1cccc(C[N@H+](C)CCCN2CC[NH+](C)CC2)c1 ZINC000289387330 426643712 /nfs/dbraw/zinc/64/37/12/426643712.db2.gz DIPZYOZDGVYBRI-UHFFFAOYSA-N 2 0 303.494 2.708 20 0 DFADRP Cc1c(Cl)cccc1NC(=O)CN(C)[C@H]1CCC[NH2+]CC1 ZINC000231668841 426652347 /nfs/dbraw/zinc/65/23/47/426652347.db2.gz ZMWKJOBCHUCRAV-ZDUSSCGKSA-N 2 0 309.841 2.661 20 0 DFADRP C[N@@H+]1CCCN(CCC[NH2+][C@@H](c2cccnc2)C2CCC2)CC1 ZINC000280820487 426664359 /nfs/dbraw/zinc/66/43/59/426664359.db2.gz KAARZWNUMPHQIY-LJQANCHMSA-N 2 0 316.493 2.540 20 0 DFADRP Cc1cccc(C)c1C[N@@H+](C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000265640705 426666267 /nfs/dbraw/zinc/66/62/67/426666267.db2.gz JSANHEIEWQTVNH-KRWDZBQOSA-N 2 0 304.478 2.828 20 0 DFADRP CC(C)[N@H+](C)Cc1ccccc1CNC(=O)[C@H]1CCC[C@@H]([NH3+])C1 ZINC000236656200 426670652 /nfs/dbraw/zinc/67/06/52/426670652.db2.gz SIUKAJNTMZHHMX-MAUKXSAKSA-N 2 0 317.477 2.661 20 0 DFADRP CC(C)[C@H](C[NH2+]C[C@H](C)c1ccccc1)N1CC[NH+](C)CC1 ZINC000236673402 426673640 /nfs/dbraw/zinc/67/36/40/426673640.db2.gz ACCFAWCOCGEQCQ-HKUYNNGSSA-N 2 0 303.494 2.652 20 0 DFADRP C[NH2+]CCCC(=O)Nc1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000178690015 426677194 /nfs/dbraw/zinc/67/71/94/426677194.db2.gz CQWSVWLKIAXPMY-HNNXBMFYSA-N 2 0 303.450 2.857 20 0 DFADRP CC(C)(C)[C@H]([NH3+])C(=O)Nc1cccc(C[NH+]2CCCCC2)c1 ZINC000236709146 426678304 /nfs/dbraw/zinc/67/83/04/426678304.db2.gz GNTUYQAGBQAJDL-MRXNPFEDSA-N 2 0 303.450 2.984 20 0 DFADRP C[C@@H](C(=O)NCCC[NH+]1CCC(C)CC1)[C@H]([NH3+])c1ccccc1 ZINC000236701662 426678342 /nfs/dbraw/zinc/67/83/42/426678342.db2.gz JNPQVFGYQCRZIA-AEFFLSMTSA-N 2 0 317.477 2.561 20 0 DFADRP CC(C)C[C@@](C)(C[NH3+])NC(=O)c1cccc(C[NH+]2CCCC2)c1 ZINC000236709482 426679446 /nfs/dbraw/zinc/67/94/46/426679446.db2.gz OSXYMZCYFGZOHV-IBGZPJMESA-N 2 0 317.477 2.776 20 0 DFADRP CCCC[N@H+](CC)Cc1cccc(CNC(=O)[C@@H]([NH3+])C(C)C)c1 ZINC000236726781 426681175 /nfs/dbraw/zinc/68/11/75/426681175.db2.gz IAZHTVNOFWRFOJ-SFHVURJKSA-N 2 0 319.493 2.908 20 0 DFADRP CCCC[C@H](C[NH3+])NC(=O)c1oc2ccccc2c1C[NH+](C)C ZINC000236739648 426682117 /nfs/dbraw/zinc/68/21/17/426682117.db2.gz RLACIUZLHIXOKK-CYBMUJFWSA-N 2 0 317.433 2.742 20 0 DFADRP C[C@@H]([NH2+]CCC[NH+]1CCCC1)c1ccc(N2CCCC2=O)cc1 ZINC000178414468 426624078 /nfs/dbraw/zinc/62/40/78/426624078.db2.gz PBXNZFMFEPSEFS-MRXNPFEDSA-N 2 0 315.461 2.950 20 0 DFADRP C[C@H]([NH2+]CCC[NH+]1CCCC1)c1ccc2c(c1)CCC(=O)N2 ZINC000178411618 426624552 /nfs/dbraw/zinc/62/45/52/426624552.db2.gz GTESIJVMIBZILV-AWEZNQCLSA-N 2 0 301.434 2.708 20 0 DFADRP C[NH+](C)CCC[NH2+][C@@H]1CCCN(C(=O)Oc2ccccc2)CC1 ZINC000289314015 426625727 /nfs/dbraw/zinc/62/57/27/426625727.db2.gz UBAQZTLKPBKFCN-MRXNPFEDSA-N 2 0 319.449 2.581 20 0 DFADRP CC[NH+](CC)C[C@@H]1CCN(C(=O)[C@@H](C)[C@@H]([NH3+])c2ccccc2)C1 ZINC000236900772 426686082 /nfs/dbraw/zinc/68/60/82/426686082.db2.gz SGGNMIWEAQJSHN-XYJFISCASA-N 2 0 317.477 2.513 20 0 DFADRP COCCN(C)CC[NH2+][C@H]1CCCSc2ccc(OC)cc21 ZINC000187932331 426706910 /nfs/dbraw/zinc/70/69/10/426706910.db2.gz TYBCCCAFAGPGSW-INIZCTEOSA-N 2 0 324.490 2.790 20 0 DFADRP OCC1(C[NH2+]C2CC[NH+](CCc3ccccc3)CC2)CCCC1 ZINC000178874832 426712522 /nfs/dbraw/zinc/71/25/22/426712522.db2.gz VRHHXAXASKHBFH-UHFFFAOYSA-N 2 0 316.489 2.836 20 0 DFADRP C[N@H+](C[C@H](O)C(C)(C)C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000290192387 426714162 /nfs/dbraw/zinc/71/41/62/426714162.db2.gz GASRYCWVAYZLMQ-MSOLQXFVSA-N 2 0 304.478 2.847 20 0 DFADRP CC[C@H](C(=O)N[C@H](C[NH+](C)C)c1ccccc1)[NH+](CC)CC ZINC000274166417 426719774 /nfs/dbraw/zinc/71/97/74/426719774.db2.gz NACHQDDISFEPJA-IAGOWNOFSA-N 2 0 305.466 2.526 20 0 DFADRP C[C@H]1C[C@H](N(C)Cc2ccc(Br)o2)CC[N@@H+]1C ZINC000188075933 426719807 /nfs/dbraw/zinc/71/98/07/426719807.db2.gz PXKFYOXUDHEHDQ-WDEREUQCSA-N 2 0 301.228 2.957 20 0 DFADRP CC(=O)Nc1ccccc1C[N@H+]1CC[C@@H](C2CC[NH+](C)CC2)C1 ZINC000290445971 426766972 /nfs/dbraw/zinc/76/69/72/426766972.db2.gz MCIIIAAPVCDROP-QGZVFWFLSA-N 2 0 315.461 2.809 20 0 DFADRP CCSCC[N@@H+]1CC[C@H](CN(C)Cc2scnc2C)C1 ZINC000188648155 426771935 /nfs/dbraw/zinc/77/19/35/426771935.db2.gz YICAVXLEYTZBGJ-CQSZACIVSA-N 2 0 313.536 2.958 20 0 DFADRP CCO[C@H](CC[NH+](C)C)C[NH2+]Cc1nn(CC)c2ccccc12 ZINC000274477744 426776803 /nfs/dbraw/zinc/77/68/03/426776803.db2.gz XBNXWEQCJDYLEU-OAHLLOKOSA-N 2 0 318.465 2.503 20 0 DFADRP COC(=O)C1(C[NH2+]C2CC[NH+]([C@H]3CCC[C@H](C)C3)CC2)CC1 ZINC000188676303 426777754 /nfs/dbraw/zinc/77/77/54/426777754.db2.gz GYKBEFPXLZPAKZ-HOCLYGCPSA-N 2 0 308.466 2.572 20 0 DFADRP Cc1nnc(CN2CCC[C@H](c3ncc4n3CCCC4)C2)s1 ZINC000281892151 426785373 /nfs/dbraw/zinc/78/53/73/426785373.db2.gz BAJXUOCFXYSLPM-ZDUSSCGKSA-N 2 0 317.462 2.759 20 0 DFADRP COc1cc([C@H](C)[NH2+]C[C@@H]2CN(CC(C)C)CCO2)ccc1F ZINC000179393687 426785830 /nfs/dbraw/zinc/78/58/30/426785830.db2.gz TZLNQHKMIVHODZ-GOEBONIOSA-N 2 0 324.440 2.842 20 0 DFADRP Clc1ccc(CN2CC[NH+](CC3CC[NH2+]CC3)CC2)s1 ZINC000178977837 426729275 /nfs/dbraw/zinc/72/92/75/426729275.db2.gz QOTFTMLYPCMIPE-UHFFFAOYSA-N 2 0 313.898 2.519 20 0 DFADRP COc1cc(C[N@@H+]2CC[C@@H](C3CC[NH+](C)CC3)C2)cc(OC)c1 ZINC000290298784 426737191 /nfs/dbraw/zinc/73/71/91/426737191.db2.gz BASPHVWJFDFMSV-QGZVFWFLSA-N 2 0 318.461 2.868 20 0 DFADRP CC(C)[NH+](CCCNC(=O)[C@@H](C)[N@H+]1[C@H](C)CC[C@@H]1C)C(C)C ZINC000245414898 426737622 /nfs/dbraw/zinc/73/76/22/426737622.db2.gz CUXOCBVJEXLEFE-IXDOHACOSA-N 2 0 311.514 2.873 20 0 DFADRP Cc1ccncc1CCC[NH2+]CCCNC(=O)c1cccs1 ZINC000290544484 426788914 /nfs/dbraw/zinc/78/89/14/426788914.db2.gz YTQWVERDBZLRBO-UHFFFAOYSA-N 2 0 317.458 2.794 20 0 DFADRP Cc1cccc2c1[C@H](C)C[C@H]2[NH2+]C[C@H](C)N1CC[NH+](C)CC1 ZINC000245509720 426746021 /nfs/dbraw/zinc/74/60/21/426746021.db2.gz UZLQLJNYXVHKTI-SOLBZPMBSA-N 2 0 301.478 2.769 20 0 DFADRP C[C@H]([NH2+]Cc1ccncc1OCCC[NH+](C)C)c1ccncc1 ZINC000290356539 426748853 /nfs/dbraw/zinc/74/88/53/426748853.db2.gz QKWBXSVFWOIVBG-HNNXBMFYSA-N 2 0 314.433 2.658 20 0 DFADRP Cc1cccc(NC[C@@H]2CC[NH+](CC[C@H]3CCC[N@H+]3C)C2)n1 ZINC000245575643 426753757 /nfs/dbraw/zinc/75/37/57/426753757.db2.gz AXDYKRBAGZXKHG-DLBZAZTESA-N 2 0 302.466 2.608 20 0 DFADRP CC[N@@H+]1CC[C@@H]([NH2+]CC2CCN(CC(F)(F)F)CC2)[C@H](C)C1 ZINC000188522100 426759639 /nfs/dbraw/zinc/75/96/39/426759639.db2.gz VICXKZDIFXXNMO-UKRRQHHQSA-N 2 0 321.431 2.581 20 0 DFADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]CC1CCN(CC(F)(F)F)CC1 ZINC000188515217 426759805 /nfs/dbraw/zinc/75/98/05/426759805.db2.gz JDRIIXPNAIYKJF-UMVBOHGHSA-N 2 0 321.431 2.579 20 0 DFADRP C[C@@H](CCNC(=O)Nc1ccn2ccnc2c1)[NH+]1CCCCC1 ZINC000290660582 426813935 /nfs/dbraw/zinc/81/39/35/426813935.db2.gz KQWHBANWYQFEMP-AWEZNQCLSA-N 2 0 315.421 2.720 20 0 DFADRP COCCN1CCC[C@H]1C[NH2+]CC1(CCOC)CCCCC1 ZINC000189132426 426821411 /nfs/dbraw/zinc/82/14/11/426821411.db2.gz OECBKVVIPYWOMV-KRWDZBQOSA-N 2 0 312.498 2.674 20 0 DFADRP CC(C)C[N@@H+]1CCC[C@H](CNC(=O)[C@H](C)[NH+]2[C@H](C)CC[C@H]2C)C1 ZINC000246375440 426826879 /nfs/dbraw/zinc/82/68/79/426826879.db2.gz HWPCHTKNVOMSSS-ZJPYXAASSA-N 2 0 323.525 2.732 20 0 DFADRP C[C@@H]([NH2+]CCC[C@H](C)CO)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000274758198 426831564 /nfs/dbraw/zinc/83/15/64/426831564.db2.gz JMEJZJNGOBVADA-YQVWRLOYSA-N 2 0 304.478 2.895 20 0 DFADRP CC[C@@H]([NH2+]CCN1CC[N@H+](C)C(C)(C)C1)c1ccccc1F ZINC000282125048 426833459 /nfs/dbraw/zinc/83/34/59/426833459.db2.gz AZVDVZRDYDMLIU-QGZVFWFLSA-N 2 0 307.457 2.892 20 0 DFADRP CC[C@H](COC)[NH2+][C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000180166620 426841302 /nfs/dbraw/zinc/84/13/02/426841302.db2.gz XCVPNHCBSZQBKS-ZSYWTGECSA-N 2 0 302.462 2.912 20 0 DFADRP CC[N@@H+]1CC[C@@H]([NH+](C)CCC(=O)N(C)c2ccccc2)[C@@H](C)C1 ZINC000246506548 426841959 /nfs/dbraw/zinc/84/19/59/426841959.db2.gz HYKDENQFQPNTBO-FUHWJXTLSA-N 2 0 317.477 2.702 20 0 DFADRP CCC[NH2+][C@H](C)C(=O)NCC(C)(C)[NH2+][C@H](C)c1ccccc1 ZINC000295162958 426847431 /nfs/dbraw/zinc/84/74/31/426847431.db2.gz KRZQSVOAOQQLJW-HUUCEWRRSA-N 2 0 305.466 2.620 20 0 DFADRP Oc1ccc(CC[NH2+][C@@H]2CCN(CCc3ccccc3)C2)cc1 ZINC000267251709 426855593 /nfs/dbraw/zinc/85/55/93/426855593.db2.gz OKMOIFHCHWGQAH-LJQANCHMSA-N 2 0 310.441 2.841 20 0 DFADRP C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2CCCc2ccc3c(c2)CCO3)C1 ZINC000290563551 426792529 /nfs/dbraw/zinc/79/25/29/426792529.db2.gz SLZXGORMCGBFLE-OALUTQOASA-N 2 0 314.473 2.970 20 0 DFADRP C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2cc3ccccc3[nH]c2=O)C1 ZINC000290572589 426794839 /nfs/dbraw/zinc/79/48/39/426794839.db2.gz TYLIZTDYLGBNII-YJBOKZPZSA-N 2 0 311.429 2.857 20 0 DFADRP CCCn1ccnc1CCC[N@H+](C)Cc1cnc(N(C)C)s1 ZINC000290570151 426796271 /nfs/dbraw/zinc/79/62/71/426796271.db2.gz SZWZCYGUCWFNNC-UHFFFAOYSA-N 2 0 321.494 2.880 20 0 DFADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]C[C@H]1CCN(c2ccc(F)cc2)C1 ZINC000247225069 426916482 /nfs/dbraw/zinc/91/64/82/426916482.db2.gz XXQGVPXXOMALPM-YKTARERQSA-N 2 0 319.468 2.970 20 0 DFADRP C[C@H](C[NH2+]C[C@H](O)C[NH+]1CCCCC1)c1cc(F)cc(F)c1 ZINC000295342950 426917551 /nfs/dbraw/zinc/91/75/51/426917551.db2.gz BJJDMDQPAFYXSD-DYVFJYSZSA-N 2 0 312.404 2.505 20 0 DFADRP c1ccc(C[NH+]2CC[C@@H]3C[N@@H+](C[C@H]4CCCO4)C[C@H]3C2)cc1 ZINC000309954996 426918160 /nfs/dbraw/zinc/91/81/60/426918160.db2.gz IEZZAPMJLTYDHO-GUDVDZBRSA-N 2 0 300.446 2.619 20 0 DFADRP CC(C)[C@H](Cc1ccccc1)[NH2+]CCN1CC[N@H+](C)C(C)(C)C1 ZINC000282232569 426861363 /nfs/dbraw/zinc/86/13/63/426861363.db2.gz IPERDXPNHRLMOK-IBGZPJMESA-N 2 0 317.521 2.869 20 0 DFADRP C[C@@H](C(=O)Nc1ccc2c(c1)C[NH2+]CC2)[C@@H]([NH3+])c1ccccc1 ZINC000295235418 426874237 /nfs/dbraw/zinc/87/42/37/426874237.db2.gz SHDJGQPGHKDPID-FZKQIMNGSA-N 2 0 309.413 2.607 20 0 DFADRP CC(C)[C@H]1CC[C@@H](C)C[C@H]1[NH2+]C[C@H](C)CN1CC[NH+](C)CC1 ZINC000246874406 426874472 /nfs/dbraw/zinc/87/44/72/426874472.db2.gz CUAVTHDTBPMTMP-FCGDIQPGSA-N 2 0 309.542 2.920 20 0 DFADRP C[N@@H+]1CCN(CC[NH2+]Cc2cccc(Cl)c2F)CC1(C)C ZINC000282305072 426876078 /nfs/dbraw/zinc/87/60/78/426876078.db2.gz KAOBTZWVQAHIEL-UHFFFAOYSA-N 2 0 313.848 2.595 20 0 DFADRP Cn1cc(-c2ccc(C[NH2+]C[C@H]3CC[N@@H+](C4CC4)C3)s2)cn1 ZINC000282320118 426881910 /nfs/dbraw/zinc/88/19/10/426881910.db2.gz UCVOLDFNVYULGF-CYBMUJFWSA-N 2 0 316.474 2.723 20 0 DFADRP CC(=O)Nc1ccc(CC[NH2+][C@@H]2C[C@@H](C)[N@@H+](C)C[C@@H]2C)cc1 ZINC000246966910 426886151 /nfs/dbraw/zinc/88/61/51/426886151.db2.gz JCWOKPLSMXLYPS-PMUMKWKESA-N 2 0 303.450 2.506 20 0 DFADRP CCC(CC)C(=O)N1CCC([NH2+][C@@H]2C[C@@H](C)[N@H+](C)C[C@H]2C)CC1 ZINC000246981244 426886702 /nfs/dbraw/zinc/88/67/02/426886702.db2.gz JRFDZEOIIHPICE-IIDMSEBBSA-N 2 0 323.525 2.732 20 0 DFADRP COCC[C@H]1CCC[C@H]1[NH2+]Cc1cccc(OCC[NH+](C)C)c1 ZINC000282341531 426887587 /nfs/dbraw/zinc/88/75/87/426887587.db2.gz VHYQCHJVFCOOCS-IEBWSBKVSA-N 2 0 320.477 2.922 20 0 DFADRP C[NH+](C)C1(CNC2CC[NH+](CCc3ccccc3)CC2)CCC1 ZINC000275657427 426888336 /nfs/dbraw/zinc/88/83/36/426888336.db2.gz FMTQGHVHEBRZKZ-UHFFFAOYSA-N 2 0 315.505 2.767 20 0 DFADRP CC(C)OC1CC([NH2+]CC2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000189556912 426889827 /nfs/dbraw/zinc/88/98/27/426889827.db2.gz OZMQBJXJUFZCCI-UHFFFAOYSA-N 2 0 303.450 2.844 20 0 DFADRP Cn1ccc(C[N@@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)n1 ZINC000291472143 426892456 /nfs/dbraw/zinc/89/24/56/426892456.db2.gz PGWSEHCYRVCCQC-UHFFFAOYSA-N 2 0 324.472 2.908 20 0 DFADRP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NCC1([NH+](C)C)CCC1 ZINC000275685221 426896877 /nfs/dbraw/zinc/89/68/77/426896877.db2.gz IQTQWEOXYQMIFF-HKUYNNGSSA-N 2 0 315.505 2.971 20 0 DFADRP CCOc1ccc([C@@H](C)[NH2+]CCN2CC[N@H+](C)C(C)(C)C2)cc1 ZINC000282417678 426908144 /nfs/dbraw/zinc/90/81/44/426908144.db2.gz SKAYTHRUWYRZFJ-MRXNPFEDSA-N 2 0 319.493 2.762 20 0 DFADRP CC[NH+](CC)[C@H](CNC(=O)C[C@@H]([NH3+])C(C)C)c1ccccc1 ZINC000316752928 426948326 /nfs/dbraw/zinc/94/83/26/426948326.db2.gz FENQYDLVHXCORH-IAGOWNOFSA-N 2 0 305.466 2.559 20 0 DFADRP C[N@H+](CCCN1CC[NH+](C)CC1)Cc1ccc(F)c(Cl)c1 ZINC000189781645 426950034 /nfs/dbraw/zinc/95/00/34/426950034.db2.gz KNJPLPHMQPPAQD-UHFFFAOYSA-N 2 0 313.848 2.548 20 0 DFADRP CC(C)(C)[NH+]1CCC([NH2+][C@H]2CCO[C@]3(CCSC3)C2)CC1 ZINC000181452885 426950134 /nfs/dbraw/zinc/95/01/34/426950134.db2.gz UQIFUWCMGKKOHI-DOTOQJQBSA-N 2 0 312.523 2.894 20 0 DFADRP C[C@@H]1C[C@H](NC[C@H](c2ccccc2)[NH+]2CCCC2)CC[N@@H+]1C ZINC000247971991 426971417 /nfs/dbraw/zinc/97/14/17/426971417.db2.gz JRHBUOZBHDNCLJ-BHIYHBOVSA-N 2 0 301.478 2.896 20 0 DFADRP C[N@@H+]1CCC[C@H]2C[NH+](CCC(=O)Nc3cccc(F)c3)CC[C@H]21 ZINC000248036631 426974935 /nfs/dbraw/zinc/97/49/35/426974935.db2.gz RRVAVARMMSPTAP-WMLDXEAASA-N 2 0 319.424 2.570 20 0 DFADRP Cc1ccc(CCC[N@@H+](C)CC2CC[NH+](C[C@H](C)O)CC2)cc1 ZINC000181831448 426985648 /nfs/dbraw/zinc/98/56/48/426985648.db2.gz ZTPBQTVJOUGOJB-SFHVURJKSA-N 2 0 318.505 2.952 20 0 DFADRP C[C@H](CN[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1)C[NH+](C)C ZINC000291804129 426992388 /nfs/dbraw/zinc/99/23/88/426992388.db2.gz XOJKIZCGURWZFA-ZIFCJYIRSA-N 2 0 303.494 2.827 20 0 DFADRP C[C@H](Cc1ccccc1F)[NH2+]C1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000275824491 426928539 /nfs/dbraw/zinc/92/85/39/426928539.db2.gz GVKAIXZMJAXROY-ZMYBRWDISA-N 2 0 320.452 2.724 20 0 DFADRP Cc1ccccc1-c1noc(C[NH+]2CCC([C@@H](C)[NH3+])CC2)n1 ZINC000316016998 426944294 /nfs/dbraw/zinc/94/42/94/426944294.db2.gz KOWNEPOTICJXJV-CYBMUJFWSA-N 2 0 300.406 2.604 20 0 DFADRP C[N@@H+]1CCC[C@@H]2CN(CN3C[C@@H](CC(C)(C)C)OC3=O)CC[C@@H]21 ZINC000248884006 427057388 /nfs/dbraw/zinc/05/73/88/427057388.db2.gz DPAXDJHWKZIPIV-OAGGEKHMSA-N 2 0 323.481 2.617 20 0 DFADRP CC(C)[C@H](O)C[NH2+][C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000248404747 426996295 /nfs/dbraw/zinc/99/62/95/426996295.db2.gz QPYJNPYVUKCFQP-MTQWCTHYSA-N 2 0 316.489 2.894 20 0 DFADRP CC(C)C[C@H](CO)[NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]12 ZINC000248406186 426996439 /nfs/dbraw/zinc/99/64/39/426996439.db2.gz BRGYAFVFNIOCQH-YSTOQKLRSA-N 2 0 316.489 2.894 20 0 DFADRP C[C@H](CCNC(=O)[C@@H](C)[N@H+]1[C@H](C)CC[C@@H]1C)[NH+]1CCCCC1 ZINC000248441888 426999962 /nfs/dbraw/zinc/99/99/62/426999962.db2.gz AFMJVVWTXVHKMX-WCXIOVBPSA-N 2 0 309.498 2.628 20 0 DFADRP C[N@@H+]1CCC[C@H]2C[NH+](CCCCC(=O)OC(C)(C)C)CC[C@H]21 ZINC000248435404 427001242 /nfs/dbraw/zinc/00/12/42/427001242.db2.gz ACUPIHGVBNNMEG-JKSUJKDBSA-N 2 0 310.482 2.915 20 0 DFADRP CC(C)[N@@H+]1CCCC[C@H]1C(=O)NCC[C@H](C)[NH+]1CCCCC1 ZINC000248500770 427007635 /nfs/dbraw/zinc/00/76/35/427007635.db2.gz SSSOOKCXDAVXFA-IRXDYDNUSA-N 2 0 309.498 2.630 20 0 DFADRP C[N@@H+]1CCC[C@@H]2C[NH+](CCCCC(=O)OC(C)(C)C)CC[C@H]21 ZINC000182028171 427008091 /nfs/dbraw/zinc/00/80/91/427008091.db2.gz ACUPIHGVBNNMEG-HZPDHXFCSA-N 2 0 310.482 2.915 20 0 DFADRP C[N@@H+]1CCC[C@H]2C[NH+](CCCc3ccc4c(c3)CCO4)CC[C@@H]21 ZINC000190055864 427010245 /nfs/dbraw/zinc/01/02/45/427010245.db2.gz UZXXOBSNONMZNC-OALUTQOASA-N 2 0 314.473 2.970 20 0 DFADRP Cc1nonc1CN[C@H]1[C@H](C)C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000276302127 427030790 /nfs/dbraw/zinc/03/07/90/427030790.db2.gz XGCZUYITTKRFEK-UOIKSKOESA-N 2 0 314.433 2.624 20 0 DFADRP C[C@@H]([NH2+]C(C)(C)CNC(=O)CC[C@@H]1CCC[NH2+]1)c1ccccc1 ZINC000292034490 427064726 /nfs/dbraw/zinc/06/47/26/427064726.db2.gz HFXJWOYVUYVPEB-WBVHZDCISA-N 2 0 317.477 2.764 20 0 DFADRP OC[C@@H]1CCC[N@@H+]1CCCC[NH2+][C@H]1CCC[C@@H]1CCCF ZINC000337991103 427080366 /nfs/dbraw/zinc/08/03/66/427080366.db2.gz WSGFJAYLXZKXIW-IKGGRYGDSA-N 2 0 300.462 2.731 20 0 DFADRP C[NH+]1CCN(c2ncccc2C[NH2+][C@H]2CC[C@H]2C2CCC2)CC1 ZINC000337992881 427080541 /nfs/dbraw/zinc/08/05/41/427080541.db2.gz GOXAFDXZCXWNDY-ROUUACIJSA-N 2 0 314.477 2.502 20 0 DFADRP C[NH+]1CCN(c2ccc(C[NH2+][C@H]3CC[C@@H]3C3CCC3)cn2)CC1 ZINC000338005196 427086862 /nfs/dbraw/zinc/08/68/62/427086862.db2.gz WVWJQQAPDKKGAO-MSOLQXFVSA-N 2 0 314.477 2.502 20 0 DFADRP C[C@@H]1CSCC[NH+](C/C=C/C[N@H+]2CCSC[C@@H](C)C2)C1 ZINC000249132833 427092096 /nfs/dbraw/zinc/09/20/96/427092096.db2.gz YFNVXGVTBIKNBF-PIGHNIFASA-N 2 0 314.564 2.912 20 0 DFADRP COCCOCCC[NH2+][C@H]1CCN(Cc2ccccc2)C[C@H]1C ZINC000268708078 427097012 /nfs/dbraw/zinc/09/70/12/427097012.db2.gz CMOXYQXWPPUAME-MJGOQNOKSA-N 2 0 320.477 2.540 20 0 DFADRP COc1cccc([C@H](C[NH2+][C@@H]2C[C@@H](C)[N@H+](C)C[C@@H]2C)N(C)C)c1 ZINC000249319649 427107345 /nfs/dbraw/zinc/10/73/45/427107345.db2.gz PVHPHNNCYTUWBV-SFUIVIKGSA-N 2 0 319.493 2.616 20 0 DFADRP CC[N@@H+]1CC[C@@H](C[NH2+][C@H](C)c2ccc(OC)c(COC)c2)C1 ZINC000249385059 427109365 /nfs/dbraw/zinc/10/93/65/427109365.db2.gz YEYCBOAIATVNRP-CABCVRRESA-N 2 0 306.450 2.834 20 0 DFADRP C[C@H]([NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccc([S@](C)=O)cc1 ZINC000268766991 427109926 /nfs/dbraw/zinc/10/99/26/427109926.db2.gz JTFYFMRKPLXUGH-FAIQAVJNSA-N 2 0 306.475 2.701 20 0 DFADRP C[C@H](C(=O)N[C@@H](C)C[N@H+]1C[C@H](C)C[C@H](C)C1)[NH+]1[C@H](C)CC[C@@H]1C ZINC000338046833 427111218 /nfs/dbraw/zinc/11/12/18/427111218.db2.gz LNRWEJUEUQZZMR-YPLQCARHSA-N 2 0 323.525 2.730 20 0 DFADRP CC[C@H](C(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1)[NH+](C)C ZINC000268789482 427114161 /nfs/dbraw/zinc/11/41/61/427114161.db2.gz TXPMGFVPTHPMJA-GOSISDBHSA-N 2 0 317.477 2.994 20 0 DFADRP Cc1cccnc1C[N@H+]1CC[C@H](CN(C)Cc2cccnc2)C1 ZINC000190481110 427120465 /nfs/dbraw/zinc/12/04/65/427120465.db2.gz ZFPUASKZXXPANT-GOSISDBHSA-N 2 0 310.445 2.739 20 0 DFADRP CC(C)[N@H+](C)Cc1cccc(CNC(=O)CC[C@@H]2CCC[NH2+]2)c1 ZINC000292192695 427126293 /nfs/dbraw/zinc/12/62/93/427126293.db2.gz XRHABOZXYCRKOE-SFHVURJKSA-N 2 0 317.477 2.675 20 0 DFADRP C[C@H]([NH2+]C(C)(C)CNC(=O)CC[C@H]1CCC[NH2+]1)c1ccccc1 ZINC000292034486 427063944 /nfs/dbraw/zinc/06/39/44/427063944.db2.gz HFXJWOYVUYVPEB-DOTOQJQBSA-N 2 0 317.477 2.764 20 0 DFADRP CN(CC[N@H+](C)C1CCCCC1)C(=O)c1ccc2c[nH+]cn2c1 ZINC000284105225 427133355 /nfs/dbraw/zinc/13/33/55/427133355.db2.gz YGTULXUWLWIVEM-UHFFFAOYSA-N 2 0 314.433 2.671 20 0 DFADRP CNC(=O)C[C@H](C)[NH2+]Cc1cccc(C[NH+]2CCCCCC2)c1 ZINC000268842726 427135177 /nfs/dbraw/zinc/13/51/77/427135177.db2.gz WDRSVBCIXPHSQQ-INIZCTEOSA-N 2 0 317.477 2.677 20 0 DFADRP Cc1ccccc1[C@@H](C)[NH2+]CCCN1CCC[C@H]1C(=O)N(C)C ZINC000268890726 427138578 /nfs/dbraw/zinc/13/85/78/427138578.db2.gz YPDNIAKCVAYEJS-AEFFLSMTSA-N 2 0 317.477 2.588 20 0 DFADRP CC[NH+](CC)CCCC1CC[NH+](CCC(=O)NC(C)C)CC1 ZINC000182744126 427139162 /nfs/dbraw/zinc/13/91/62/427139162.db2.gz XZWWIFCHEPOGIQ-UHFFFAOYSA-N 2 0 311.514 2.735 20 0 DFADRP C[N@@H+]1CC[C@@]2(CC[NH+](CCC(=O)Nc3ccccc3Cl)C2)C1 ZINC000292245228 427144897 /nfs/dbraw/zinc/14/48/97/427144897.db2.gz XCMBRPLUBVMHGL-QGZVFWFLSA-N 2 0 321.852 2.696 20 0 DFADRP C[C@@H]([NH2+]Cc1ccc(OC2CC[NH+](C)CC2)cc1)c1cn[nH]c1 ZINC000284152009 427145820 /nfs/dbraw/zinc/14/58/20/427145820.db2.gz QNTJKVCXWLDUQL-CQSZACIVSA-N 2 0 314.433 2.734 20 0 DFADRP CC(C)[C@@H]([NH3+])C(=O)NCc1ccccc1C[NH+]1CCCCCC1 ZINC000269248858 427152928 /nfs/dbraw/zinc/15/29/28/427152928.db2.gz NVVZUYBWHZJXQA-GOSISDBHSA-N 2 0 317.477 2.662 20 0 DFADRP CCCC[N@H+](CC)Cc1cccc(CNC(=O)[C@@H](C)C[NH2+]C)c1 ZINC000269263015 427155175 /nfs/dbraw/zinc/15/51/75/427155175.db2.gz NMZVLRYFHIYWLT-INIZCTEOSA-N 2 0 319.493 2.780 20 0 DFADRP CCc1ccc([C@H](C)[NH2+]C[C@H](C)CN2CC[NH+](C)CC2)s1 ZINC000121074721 271016963 /nfs/dbraw/zinc/01/69/63/271016963.db2.gz GWUDZHXCXNIQSU-GJZGRUSLSA-N 2 0 309.523 2.845 20 0 DFADRP C[C@@H]([NH2+]C[C@H](C)CN1CC[NH+](C)CC1)c1cc2ccccc2o1 ZINC000121065452 271017352 /nfs/dbraw/zinc/01/73/52/271017352.db2.gz JDZPFRMNJBAFHE-JKSUJKDBSA-N 2 0 315.461 2.967 20 0 DFADRP CC[N@@H+]1CC[C@H](C[NH2+][C@@H](Cc2cccc(OC)c2)C2CC2)C1 ZINC000121094954 271019574 /nfs/dbraw/zinc/01/95/74/271019574.db2.gz GCKVTHZLLWPQHF-APWZRJJASA-N 2 0 302.462 2.948 20 0 DFADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+][C@@H](C)c2ccc(C)s2)CC1 ZINC000121107325 271020692 /nfs/dbraw/zinc/02/06/92/271020692.db2.gz DISQIZJIHSSZKP-HOCLYGCPSA-N 2 0 309.523 2.981 20 0 DFADRP Cc1ccccc1C[C@H]([NH2+]C[C@@H](C)N1CC[NH+](C)CC1)C1CC1 ZINC000284081839 427130630 /nfs/dbraw/zinc/13/06/30/427130630.db2.gz BDBZLQQZKGILGN-XLIONFOSSA-N 2 0 315.505 2.542 20 0 DFADRP CCC[N@H+](CC)Cc1ccc(C(=O)N[C@@H]2CCC[C@H]2C[NH3+])cc1 ZINC000269296415 427162547 /nfs/dbraw/zinc/16/25/47/427162547.db2.gz WBVRIMHTEXSSFX-ZWKOTPCHSA-N 2 0 317.477 2.776 20 0 DFADRP C[C@H](CNC(=O)[C@@H]1CCCCCC[C@@H]1[NH3+])[NH+]1CCC(C)CC1 ZINC000166336427 271096352 /nfs/dbraw/zinc/09/63/52/271096352.db2.gz SOMXIKGBCNREDA-ZACQAIPSSA-N 2 0 309.498 2.521 20 0 DFADRP CC[NH+]1CCC(CCNC(=O)[C@H]2CCCCCC[C@H]2[NH3+])CC1 ZINC000168712265 271097528 /nfs/dbraw/zinc/09/75/28/271097528.db2.gz VKCYJPKYUFWRPU-DLBZAZTESA-N 2 0 309.498 2.522 20 0 DFADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCC1(O)CCC1 ZINC000284243694 427162963 /nfs/dbraw/zinc/16/29/63/427162963.db2.gz FFFFBTRGESLWSP-AEFFLSMTSA-N 2 0 302.462 2.792 20 0 DFADRP CC[N@H+](C)Cc1cccc(C[NH2+][C@@H](C)C(C)(C)n2cncn2)c1 ZINC000284252823 427166747 /nfs/dbraw/zinc/16/67/47/427166747.db2.gz VTSVDFPIYZVNKD-HNNXBMFYSA-N 2 0 315.465 2.643 20 0 DFADRP C[C@H]1C[C@H](N(C)C(=O)Nc2cccc(C[NH+](C)C)c2)CC[N@@H+]1C ZINC000174868296 271141231 /nfs/dbraw/zinc/14/12/31/271141231.db2.gz SPTVYPVPHPOIHJ-WMLDXEAASA-N 2 0 318.465 2.695 20 0 DFADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCC1(O)CCC1 ZINC000284243700 427164277 /nfs/dbraw/zinc/16/42/77/427164277.db2.gz FFFFBTRGESLWSP-SJLPKXTDSA-N 2 0 302.462 2.792 20 0 DFADRP COc1cccc(C[NH2+]Cc2ccc(C[NH+]3CCCC3)cc2)n1 ZINC000190704003 427167065 /nfs/dbraw/zinc/16/70/65/427167065.db2.gz SKMWCNQOXVLJBS-UHFFFAOYSA-N 2 0 311.429 2.976 20 0 DFADRP C[C@H](CC[NH+](C)C)[NH2+][C@@H]1CCCN(C(=O)OC(C)(C)C)CC1 ZINC000227259313 271235715 /nfs/dbraw/zinc/23/57/15/271235715.db2.gz PXCWVVTXADGYSE-HUUCEWRRSA-N 2 0 313.486 2.706 20 0 DFADRP CC(C)(C[NH3+])C(=O)NCc1cccc(C[NH+]2CCCCCC2)c1 ZINC000236617394 271239746 /nfs/dbraw/zinc/23/97/46/271239746.db2.gz RQFMRUIQTXNABA-UHFFFAOYSA-N 2 0 317.477 2.664 20 0 DFADRP C[C@@H]1CCCC[N@@H+]1Cc1ccc(NC(=O)C(C)(C)C[NH3+])cc1 ZINC000237341946 271246766 /nfs/dbraw/zinc/24/67/66/271246766.db2.gz DKZYHZVTMVQUDT-CQSZACIVSA-N 2 0 303.450 2.984 20 0 DFADRP C[C@H]([NH2+]CC1(C)OCCCO1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000277335394 427170173 /nfs/dbraw/zinc/17/01/73/427170173.db2.gz UPKGTVSJFMWRPJ-WMZOPIPTSA-N 2 0 318.461 2.640 20 0 DFADRP C[N@H+](CCC(=O)Nc1ccccc1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000285527714 271342706 /nfs/dbraw/zinc/34/27/06/271342706.db2.gz OXWJFDBNKATFBZ-SJPCQFCGSA-N 2 0 301.434 2.572 20 0 DFADRP CC(C)(C)[C@H]1CCCC[C@H]1[NH2+]Cc1nnc(C2CC[NH2+]CC2)[nH]1 ZINC000333622669 271381113 /nfs/dbraw/zinc/38/11/13/271381113.db2.gz UOGSKYCGIPMOLR-LSDHHAIUSA-N 2 0 319.497 2.966 20 0 DFADRP O=C1Nc2ccccc2C12CCC([NH2+][C@@H]1CCCC[NH2+]C1)CC2 ZINC000333875508 271399250 /nfs/dbraw/zinc/39/92/50/271399250.db2.gz VHDAJKLKNTZMLD-XAUUPUKJSA-N 2 0 313.445 2.551 20 0 DFADRP CCCc1ccc2[nH+]ccc(NCCN3CC[NH+](C)CC3)c2c1 ZINC000296453099 427184797 /nfs/dbraw/zinc/18/47/97/427184797.db2.gz IUSMZAREWNUQKN-UHFFFAOYSA-N 2 0 312.461 2.847 20 0 DFADRP CC[C@@H]1CCC[C@@H](C[N@@H+]2CC[C@H](N3CC[NH+](CC)CC3)C2)C1 ZINC000183050544 427189811 /nfs/dbraw/zinc/18/98/11/427189811.db2.gz BHMOUDWRJXTHCV-QRVBRYPASA-N 2 0 307.526 2.915 20 0 DFADRP C[C@@H]([NH2+]CCC1(O)CCC1)c1ccc(OCC[NH+](C)C)cc1 ZINC000284368461 427192025 /nfs/dbraw/zinc/19/20/25/427192025.db2.gz NMRIWRQLOHNXRL-OAHLLOKOSA-N 2 0 306.450 2.583 20 0 DFADRP C[N@@H+]1CCN(CCC[NH+]2CCCCC2)C[C@H]1Cc1ccccc1 ZINC000284960391 427202187 /nfs/dbraw/zinc/20/21/87/427202187.db2.gz ZVHBOPGGRONZRE-HXUWFJFHSA-N 2 0 315.505 2.721 20 0 DFADRP CC[NH+](CC)Cc1ccc(C(=O)N2C[C@@H](C)[C@H]([NH+](C)C)C2)cc1 ZINC000338225092 427202554 /nfs/dbraw/zinc/20/25/54/427202554.db2.gz BDZCMDQVXGWFNJ-CRAIPNDOSA-N 2 0 317.477 2.551 20 0 DFADRP C[N@H+](Cc1cccc2nsnc21)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000285379776 427214175 /nfs/dbraw/zinc/21/41/75/427214175.db2.gz CTMCHTFPBCHTBG-PBWFPOADSA-N 2 0 302.447 2.748 20 0 DFADRP CCC[NH2+][C@@H](C)C(=O)Nc1ccc(OCC[NH+](CC)CC)cc1 ZINC000296532411 427214252 /nfs/dbraw/zinc/21/42/52/427214252.db2.gz SRQBRONOJYTGHT-HNNXBMFYSA-N 2 0 321.465 2.734 20 0 DFADRP C[C@@H]([NH3+])CCC(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC000277511679 427227146 /nfs/dbraw/zinc/22/71/46/427227146.db2.gz QZNOKXLZQAMZAB-OAHLLOKOSA-N 2 0 303.450 2.781 20 0 DFADRP C[C@@H](C[NH2+]CCC[N@@H+]1CCCO[C@H](C)C1)Cc1ccccc1 ZINC000277546813 427238555 /nfs/dbraw/zinc/23/85/55/427238555.db2.gz QSCJSYKPFPFZGG-QZTJIDSGSA-N 2 0 304.478 2.956 20 0 DFADRP Cn1cncc1[C@@H]1C[C@H]([NH2+]Cc2cccc(O)c2Cl)CCO1 ZINC000293200330 427243657 /nfs/dbraw/zinc/24/36/57/427243657.db2.gz IQHNXWNHABHSQH-DOMZBBRYSA-N 2 0 321.808 2.789 20 0 DFADRP CN(CCC[N@H+](C)C[C@@H](O)c1ccc(F)cc1)Cc1ccco1 ZINC000285494447 427249625 /nfs/dbraw/zinc/24/96/25/427249625.db2.gz CGYSYRMNGXEPRR-GOSISDBHSA-N 2 0 320.408 2.906 20 0 DFADRP CC(=O)Nc1cccc([C@@H](C)[NH2+]C[C@H]2CCc3nccn3C2)c1 ZINC000277599602 427254707 /nfs/dbraw/zinc/25/47/07/427254707.db2.gz ONDKGUFBSWBPPO-UKRRQHHQSA-N 2 0 312.417 2.755 20 0 DFADRP Cc1cc2ncn(C[C@@H](O)Cn3cnc4c3CCCC4)c2cc1C ZINC000297001690 427301524 /nfs/dbraw/zinc/30/15/24/427301524.db2.gz ZYFLTFWIHIOYGQ-HNNXBMFYSA-N 2 0 324.428 2.790 20 0 DFADRP C[C@H](C[NH2+][C@@H](C)c1csc(Cl)c1)N1CC[NH+](C)CC1 ZINC000191268814 427304344 /nfs/dbraw/zinc/30/43/44/427304344.db2.gz VHACMYKITAGJRK-NEPJUHHUSA-N 2 0 301.887 2.688 20 0 DFADRP COCC[N@H+](C)CCC[NH2+][C@@H](C)c1ccc(OC)c(OC)c1C ZINC000285676683 427307862 /nfs/dbraw/zinc/30/78/62/427307862.db2.gz NQYUUWFCWQFHBJ-HNNXBMFYSA-N 2 0 324.465 2.631 20 0 DFADRP CC[C@H](N[C@@H](C)c1ccc(-n2ccnc2C)cc1)C(=O)OC ZINC000183684556 427318137 /nfs/dbraw/zinc/31/81/37/427318137.db2.gz DAVKHCXWWSHCSM-LRDDRELGSA-N 2 0 301.390 2.783 20 0 DFADRP Cc1ccc(C[NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)c(-c2ccnn2C)c1 ZINC000338434744 427318520 /nfs/dbraw/zinc/31/85/20/427318520.db2.gz FOYKUKDTWWWWGU-INIZCTEOSA-N 2 0 324.472 2.969 20 0 DFADRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@H](C)c1cnn(C(C)C)c1C ZINC000191333991 427321127 /nfs/dbraw/zinc/32/11/27/427321127.db2.gz OJZOMVLAVPGYQB-GDBMZVCRSA-N 2 0 310.486 2.780 20 0 DFADRP C[C@H](Cc1cccc(Cl)c1)[NH2+]CC1CC[NH+](CCO)CC1 ZINC000338452948 427329658 /nfs/dbraw/zinc/32/96/58/427329658.db2.gz LEJRFFNGCOSVSX-CQSZACIVSA-N 2 0 310.869 2.565 20 0 DFADRP CCN(Cc1nccn1CC)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000183753811 427334849 /nfs/dbraw/zinc/33/48/49/427334849.db2.gz JOBWTXYASNGWOG-SFHVURJKSA-N 2 0 312.461 2.999 20 0 DFADRP CC[C@](C)(O)C[N@@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000285612301 427289746 /nfs/dbraw/zinc/28/97/46/427289746.db2.gz QECQLIYQQNESFL-RBUKOAKNSA-N 2 0 302.462 2.745 20 0 DFADRP COc1ccc2c(c1)C[C@H]([NH2+][C@@H]1CCN3CCCC[C@H]13)CC2 ZINC000269861960 427294945 /nfs/dbraw/zinc/29/49/45/427294945.db2.gz JKCYFOSVISGCGB-BHIYHBOVSA-N 2 0 300.446 2.769 20 0 DFADRP CC[NH+]1CCN(CCC[NH2+][C@@H]2CCc3c2c(F)ccc3F)CC1 ZINC000269864296 427295521 /nfs/dbraw/zinc/29/55/21/427295521.db2.gz KFHNHCHXGOQEBG-QGZVFWFLSA-N 2 0 323.431 2.569 20 0 DFADRP C[C@@H]1C[C@H](c2ccccc2)[C@@H](C)[N@@H+]1C[C@@H](O)CN(C)C1CC1 ZINC000296989982 427297190 /nfs/dbraw/zinc/29/71/90/427297190.db2.gz ZLYWHSVUPFJOBX-LTDCPUDJSA-N 2 0 302.462 2.708 20 0 DFADRP CC[C@@](C)([NH2+]CCCN1CC[NH+](C(C)C)CC1)c1nccs1 ZINC000191576508 427381222 /nfs/dbraw/zinc/38/12/22/427381222.db2.gz MVYNTUFVHQXQRN-QGZVFWFLSA-N 2 0 324.538 2.774 20 0 DFADRP CC(=O)Nc1ccccc1CN1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000293631209 427387124 /nfs/dbraw/zinc/38/71/24/427387124.db2.gz LKWOIOVHBFXSGW-GOSISDBHSA-N 2 0 301.434 2.563 20 0 DFADRP CCn1nc(CN2CC[C@@]3(C2)CCC[N@H+](C)C3)c2ccccc21 ZINC000293633275 427388695 /nfs/dbraw/zinc/38/86/95/427388695.db2.gz LRAKZELESKFDFQ-IBGZPJMESA-N 2 0 312.461 2.974 20 0 DFADRP C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)[C@H]2CCCC[C@]2(C)[NH3+])C1 ZINC000263055789 427404284 /nfs/dbraw/zinc/40/42/84/427404284.db2.gz UYYVFJWOROMVFR-RKVPGOIHSA-N 2 0 309.498 2.521 20 0 DFADRP C[C@@H](O)C[NH2+][C@@H]1CCCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000286073569 427417785 /nfs/dbraw/zinc/41/77/85/427417785.db2.gz LERCVDCGDRRSTO-QXCFHYIPSA-N 2 0 302.462 2.648 20 0 DFADRP CC[NH+](CC)C[C@@H]1CCN(C(=O)[C@@H](C)[C@H]([NH3+])c2ccccc2)C1 ZINC000262676471 427367643 /nfs/dbraw/zinc/36/76/43/427367643.db2.gz SGGNMIWEAQJSHN-BQFCYCMXSA-N 2 0 317.477 2.513 20 0 DFADRP CC[N@@H+](Cc1cocn1)CC1CCN(c2ccccn2)CC1 ZINC000191945042 427448531 /nfs/dbraw/zinc/44/85/31/427448531.db2.gz FHIWRXXNDHDAQI-UHFFFAOYSA-N 2 0 300.406 2.808 20 0 DFADRP CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)C[C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000263292933 427455345 /nfs/dbraw/zinc/45/53/45/427455345.db2.gz XDVJPBXDDARUKI-RCCFBDPRSA-N 2 0 323.525 2.783 20 0 DFADRP CN(CC[C@@H]1CCCC[N@@H+]1C)[C@@H]1CCc2ccccc2NC1=O ZINC000192043444 427468366 /nfs/dbraw/zinc/46/83/66/427468366.db2.gz BHEAKQJYGKUUCR-FUHWJXTLSA-N 2 0 315.461 2.746 20 0 DFADRP C[C@@H]([NH3+])[C@@H](C)C(=O)Nc1ccc(-c2cn3c(n2)CCCC3)cc1 ZINC000192100954 427480270 /nfs/dbraw/zinc/48/02/70/427480270.db2.gz DJJCLWQDNDZVBO-CHWSQXEVSA-N 2 0 312.417 2.808 20 0 DFADRP O[C@H]1CCC[C@@H]1[NH+]1CCC([NH2+]C(C2CCC2)C2CCC2)CC1 ZINC000338783666 427484119 /nfs/dbraw/zinc/48/41/19/427484119.db2.gz GBCFWZSFYRAMDT-ROUUACIJSA-N 2 0 306.494 2.923 20 0 DFADRP c1ccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@H]([NH2+]C[C@@H]2CCOC2)C3)cc1 ZINC000278157225 427421643 /nfs/dbraw/zinc/42/16/43/427421643.db2.gz BBSYUOVQJXLIJX-CADBVGFASA-N 2 0 300.446 2.808 20 0 DFADRP CO[C@H](C[NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]12)C1CC1 ZINC000293754012 427426996 /nfs/dbraw/zinc/42/69/96/427426996.db2.gz QPFYLSAVAXFFFF-UAFMIMERSA-N 2 0 314.473 2.912 20 0 DFADRP C[C@@](O)(C[NH2+]C1CCN(C2CC2)CC1)c1cccc(Cl)c1 ZINC000297688814 427429203 /nfs/dbraw/zinc/42/92/03/427429203.db2.gz PSOWPYBBQKLLMU-QGZVFWFLSA-N 2 0 308.853 2.764 20 0 DFADRP CC(C)Cc1cccc([C@@H](C)[NH2+]CC2(O)CC[NH+](C)CC2)c1 ZINC000286176512 427446294 /nfs/dbraw/zinc/44/62/94/427446294.db2.gz QQYSPTBXLZBSDD-MRXNPFEDSA-N 2 0 304.478 2.992 20 0 DFADRP C[C@H]([NH2+]CCN1CCC([NH+](C)C)CC1)[C@H]1C[C@@H]1c1ccccc1 ZINC000338796992 427494245 /nfs/dbraw/zinc/49/42/45/427494245.db2.gz WUDXVHIQBBBUJC-PWIZWCRZSA-N 2 0 315.505 2.794 20 0 DFADRP C[C@@H]1[C@@H](C)CCC[N@@H+]1CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000184586957 427497052 /nfs/dbraw/zinc/49/70/52/427497052.db2.gz DMEQJDDXWOIUEM-JZXOWHBKSA-N 2 0 317.477 2.526 20 0 DFADRP Nc1cc(CN2CCC[N@H+](CC3CCCCC3)CC2)ccn1 ZINC000298043529 427508297 /nfs/dbraw/zinc/50/82/97/427508297.db2.gz HAWPMRFBXBDPNS-UHFFFAOYSA-N 2 0 302.466 2.752 20 0 DFADRP C[NH+](C)C1CCN(CC[NH2+]Cc2ccc3occc3c2)CC1 ZINC000286373716 427509124 /nfs/dbraw/zinc/50/91/24/427509124.db2.gz GKLDKBPVJFWUMH-UHFFFAOYSA-N 2 0 301.434 2.548 20 0 DFADRP C[C@H]1C[NH+](Cc2ccc(CNCc3cocn3)cc2)C[C@H](C)O1 ZINC000192283145 427516816 /nfs/dbraw/zinc/51/68/16/427516816.db2.gz VQDAFOBXKWSSAD-GJZGRUSLSA-N 2 0 315.417 2.574 20 0 DFADRP COc1ccc(C(=O)CCN2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)cc1 ZINC000286411948 427518299 /nfs/dbraw/zinc/51/82/99/427518299.db2.gz LXPCAHNFPQKHMA-AEFFLSMTSA-N 2 0 316.445 2.684 20 0 DFADRP CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)C1CC[NH+](C2CC2)CC1 ZINC000338844414 427518910 /nfs/dbraw/zinc/51/89/10/427518910.db2.gz NNCBUBMAIMMDJB-GOSISDBHSA-N 2 0 321.509 2.632 20 0 DFADRP C[C@H](CO)[NH2+][C@@H]1CCCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000278980521 427521658 /nfs/dbraw/zinc/52/16/58/427521658.db2.gz PJPBJRBHFDTRAX-XGXHKWSGSA-N 2 0 302.462 2.648 20 0 DFADRP C[NH+](C)CCC1CC[NH+]([C@H]2CCN(Cc3ccccc3)C2)CC1 ZINC000271435821 427534859 /nfs/dbraw/zinc/53/48/59/427534859.db2.gz QRCTZUHSVKCVEJ-FQEVSTJZSA-N 2 0 315.505 2.925 20 0 DFADRP CC[N@H+](C)Cc1cccc(C[NH2+]C2CCC(C(=O)OC)CC2)c1 ZINC000192441872 427539644 /nfs/dbraw/zinc/53/96/44/427539644.db2.gz UJRCNPDPMKSWOL-UHFFFAOYSA-N 2 0 318.461 2.960 20 0 DFADRP Cc1cc(NC[C@@H](c2ccccc2)N2CCOCC2)nc(C)n1 ZINC000298269747 427552818 /nfs/dbraw/zinc/55/28/18/427552818.db2.gz CQQBXGSTGXCXTD-KRWDZBQOSA-N 2 0 312.417 2.579 20 0 DFADRP c1cc(N2CCC([NH2+][C@@H]3[C@H]4CCO[C@@H]4C34CCC4)CC2)cc[nH+]1 ZINC000294307410 427618362 /nfs/dbraw/zinc/61/83/62/427618362.db2.gz VOLLDYQHJOBLIW-KURKYZTESA-N 2 0 313.445 2.598 20 0 DFADRP O[C@@H](C[NH2+]C1CCN(c2cc[nH+]cc2)CC1)c1cccc(F)c1 ZINC000298324507 427572353 /nfs/dbraw/zinc/57/23/53/427572353.db2.gz INLXUSBWSJXNOS-SFHVURJKSA-N 2 0 315.392 2.513 20 0 DFADRP CCC[N@@H+]1CC[C@H](C[NH2+][C@H](C)c2cccc(-n3ccnn3)c2)C1 ZINC000287308300 427575344 /nfs/dbraw/zinc/57/53/44/427575344.db2.gz CVEKPHOUQDBTRH-HZPDHXFCSA-N 2 0 313.449 2.650 20 0 DFADRP c1ccc(C[N@@H+]2C[C@@H]3CC[C@@H]([NH2+][C@H]4CCCOC4)[C@@H]3C2)cc1 ZINC000287335759 427580779 /nfs/dbraw/zinc/58/07/79/427580779.db2.gz MQVDOLPGWFWASM-INDMIFKZSA-N 2 0 300.446 2.666 20 0 DFADRP CC[C@@H](C[NH2+]C1CCN(c2cc[nH+]cc2)CC1)N1CCCC1 ZINC000298423907 427603772 /nfs/dbraw/zinc/60/37/72/427603772.db2.gz MPRXEBNGMDLFTB-KRWDZBQOSA-N 3 0 302.466 2.514 20 0 DFADRP C[C@H]([NH2+]C1CCN(c2cc[nH+]cc2)CC1)C(=O)Nc1ccccc1 ZINC000298440920 427610008 /nfs/dbraw/zinc/61/00/08/427610008.db2.gz NKGXXJPMVIRMIU-HNNXBMFYSA-N 2 0 324.428 2.667 20 0 DFADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1[NH2+]C[C@](C)(O)c1cccc(Cl)c1 ZINC000185309117 427630476 /nfs/dbraw/zinc/63/04/76/427630476.db2.gz NJHNSADWEJUFBN-OQUILHJVSA-N 2 0 310.869 2.866 20 0 DFADRP CC[N@@H+]1CC[C@H]([NH+](C)C[C@@H](O)Cc2cccc(Cl)c2)[C@@H](C)C1 ZINC000287566188 427641461 /nfs/dbraw/zinc/64/14/61/427641461.db2.gz BLMBBTRRWCEOAC-WBAXXEDZSA-N 2 0 324.896 2.906 20 0 DFADRP COCCCOc1ccc(C[NH2+][C@H]2CC[N@H+](C)[C@@H](C)C2)cc1 ZINC000287586822 427646803 /nfs/dbraw/zinc/64/68/03/427646803.db2.gz RJWLQEINJCKPNX-RDJZCZTQSA-N 2 0 306.450 2.674 20 0 DFADRP C[NH+](C)CCOc1cccc(C[NH2+]Cc2cc(O)cc(F)c2)c1 ZINC000185471102 427656795 /nfs/dbraw/zinc/65/67/95/427656795.db2.gz DDAKWZGZNPMOKR-UHFFFAOYSA-N 2 0 318.392 2.762 20 0 DFADRP CCSc1cccc(C[NH2+]C[C@@H](C)N2CC[NH+](CC)CC2)c1 ZINC000185467146 427658002 /nfs/dbraw/zinc/65/80/02/427658002.db2.gz NQEUMFMZRURVOD-MRXNPFEDSA-N 2 0 321.534 2.914 20 0 DFADRP COc1ccccc1C1(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000339068590 427660011 /nfs/dbraw/zinc/66/00/11/427660011.db2.gz RMIKZEVFRQBBKL-HZPDHXFCSA-N 2 0 300.446 2.943 20 0 DFADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+]Cc2sccc2Cl)CC1 ZINC000193085447 427663170 /nfs/dbraw/zinc/66/31/70/427663170.db2.gz WRSFTDIYYFKBIH-ZDUSSCGKSA-N 2 0 315.914 2.765 20 0 DFADRP C[C@@H]([NH2+]Cc1ccncc1OCCC[NH+](C)C)[C@@H]1CC1(C)C ZINC000342410393 272006481 /nfs/dbraw/zinc/00/64/81/272006481.db2.gz AXFDSRDNQSIBAA-ZBFHGGJFSA-N 2 0 305.466 2.936 20 0 DFADRP C[C@@H]([NH2+]Cc1ccncc1OCCC[NH+](C)C)[C@H]1CC1(C)C ZINC000342410384 272006987 /nfs/dbraw/zinc/00/69/87/272006987.db2.gz AXFDSRDNQSIBAA-GDBMZVCRSA-N 2 0 305.466 2.936 20 0 DFADRP C[C@H]1CC([NH2+]Cc2ccncc2OCC[NH+](C)C)C[C@H](C)C1 ZINC000342417519 272008809 /nfs/dbraw/zinc/00/88/09/272008809.db2.gz HQTTUCYSQFDZIA-HUUCEWRRSA-N 2 0 305.466 2.936 20 0 DFADRP C[NH+](C/C=C\C[N@H+](C)CC[C@H]1CCCO1)CC[C@@H]1CCCO1 ZINC000342583606 272027518 /nfs/dbraw/zinc/02/75/18/272027518.db2.gz ICZKVKTWPIGBTB-FEFURNDJSA-N 2 0 310.482 2.544 20 0 DFADRP COCC[N@H+](C)CCC[NH2+][C@@H]1C[C@H](Oc2ccccc2)C1(C)C ZINC000342624295 272032495 /nfs/dbraw/zinc/03/24/95/272032495.db2.gz IGVISWCMYWXMNW-MSOLQXFVSA-N 2 0 320.477 2.790 20 0 DFADRP CC[C@@H]1C[C@@H](C)CC[C@@H]1[NH2+]Cc1nnc(C2CC[NH2+]CC2)[nH]1 ZINC000333654723 427669243 /nfs/dbraw/zinc/66/92/43/427669243.db2.gz ZRBZJBJTHIXOJO-GUTXKFCHSA-N 2 0 305.470 2.576 20 0 DFADRP Cc1cccc(C)c1C[NH+]1CCN(C[C@H]2CCCC[N@H+]2C)CC1 ZINC000342945292 272070066 /nfs/dbraw/zinc/07/00/66/272070066.db2.gz WZBMAGCGSQZKBR-LJQANCHMSA-N 2 0 315.505 2.905 20 0 DFADRP CC[NH+]1CCN(CCC[NH2+][C@H]2CCc3ccc(Cl)cc32)CC1 ZINC000343096581 272085405 /nfs/dbraw/zinc/08/54/05/272085405.db2.gz RPSFWEDOXBDDFJ-SFHVURJKSA-N 2 0 321.896 2.945 20 0 DFADRP CC[NH+]1CCN(CCC[NH2+][C@@H]2CCc3ccc(Cl)cc32)CC1 ZINC000343096579 272085804 /nfs/dbraw/zinc/08/58/04/272085804.db2.gz RPSFWEDOXBDDFJ-GOSISDBHSA-N 2 0 321.896 2.945 20 0 DFADRP CC[NH+](CC)CCC[C@H](C)[NH2+]C[C@@H]1CCO[C@@H]1c1ccnn1C ZINC000343351891 272125849 /nfs/dbraw/zinc/12/58/49/272125849.db2.gz FCBYCEVXBBDGQR-BQFCYCMXSA-N 2 0 322.497 2.598 20 0 DFADRP COCCCOc1ccc(C[NH2+][C@@H]2C[C@@H](C)[N@H+](C)C[C@H]2C)cc1 ZINC000287690508 427672290 /nfs/dbraw/zinc/67/22/90/427672290.db2.gz WROCHZLDQYJYMA-GPMSIDNRSA-N 2 0 320.477 2.920 20 0 DFADRP Cc1cccnc1[C@H]1CCC[C@@H]([NH2+]CCOCC[NH+](C)C)C1 ZINC000343463461 272153265 /nfs/dbraw/zinc/15/32/65/272153265.db2.gz ZGOZGERAGVJQMR-DLBZAZTESA-N 2 0 305.466 2.584 20 0 DFADRP CC[C@H](C(=O)N[C@@H](C)C[N@H+](C)Cc1ccccc1)[NH+](CC)CC ZINC000343532283 272166332 /nfs/dbraw/zinc/16/63/32/272166332.db2.gz VRWJIHRRXQOWFN-FUHWJXTLSA-N 2 0 319.493 2.744 20 0 DFADRP CC[NH+](CC)CC1CC[NH+]([C@@H](C)C(=O)N2CCCCCC2)CC1 ZINC000343577297 272175549 /nfs/dbraw/zinc/17/55/49/272175549.db2.gz IQYABFZAMJQKSM-KRWDZBQOSA-N 2 0 323.525 2.831 20 0 DFADRP C[C@@H]1CCC[C@H](C[N@@H+]2CCN(C3CC[NH+](C)CC3)[C@H](C)C2)C1 ZINC000343720468 272207757 /nfs/dbraw/zinc/20/77/57/272207757.db2.gz VFRVHNIEIONIPF-KURKYZTESA-N 2 0 307.526 2.913 20 0 DFADRP O[C@H](C[NH+]1CCC(CCC[NH+]2CCCC2)CC1)c1cccnc1 ZINC000295065170 427679271 /nfs/dbraw/zinc/67/92/71/427679271.db2.gz ZBUCASLPJKJOHS-LJQANCHMSA-N 2 0 317.477 2.703 20 0 DFADRP CC[NH+](CC)C[C@H](C)NC(=O)[C@@H](c1ccccc1)[N@H+](C)CC ZINC000343803763 272222581 /nfs/dbraw/zinc/22/25/81/272222581.db2.gz NGOMOQSOIVSSDD-DOTOQJQBSA-N 2 0 305.466 2.526 20 0 DFADRP COc1c(O)cccc1C[NH+]1CCC(CCC[NH+](C)C)CC1 ZINC000272227721 427679931 /nfs/dbraw/zinc/67/99/31/427679931.db2.gz DFASEIPRDBPEPO-UHFFFAOYSA-N 2 0 306.450 2.955 20 0 DFADRP CCN1C[C@@H](C)[C@@H]([NH2+]CC2CC[NH+](Cc3cccs3)CC2)C1 ZINC000343990454 272247840 /nfs/dbraw/zinc/24/78/40/272247840.db2.gz UXIAGRSXUTXWBG-QAPCUYQASA-N 2 0 321.534 2.890 20 0 DFADRP CCO[C@H]1C[C@@H]([NH2+]CCC[N@H+](C)CCOC)C12CCCCC2 ZINC000344029251 272251885 /nfs/dbraw/zinc/25/18/85/272251885.db2.gz BQGQAEASCSICDR-SJORKVTESA-N 2 0 312.498 2.672 20 0 DFADRP CN(CCC[N@H+](C)C[C@@H]1CCCC(F)(F)C1)CC[NH+](C)C ZINC000344064381 272254946 /nfs/dbraw/zinc/25/49/46/272254946.db2.gz NSKQFKPEOZOYBZ-OAHLLOKOSA-N 2 0 305.457 2.627 20 0 DFADRP C[NH+]1CCC(O)(C[NH2+][C@H](CC2CCC2)c2ccccc2)CC1 ZINC000344094769 272261976 /nfs/dbraw/zinc/26/19/76/272261976.db2.gz GNUMVXFAKJKBKC-GOSISDBHSA-N 2 0 302.462 2.964 20 0 DFADRP CC[C@@H](C(=O)NC[C@H](c1ccc(F)cc1)[NH+](C)C)[NH+](CC)CC ZINC000344092792 272262067 /nfs/dbraw/zinc/26/20/67/272262067.db2.gz OWSIFPUKGBZMIY-DLBZAZTESA-N 2 0 323.456 2.665 20 0 DFADRP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+]C[C@H](C)Cn1ccnc1C ZINC000344119499 272267896 /nfs/dbraw/zinc/26/78/96/272267896.db2.gz PDVMTMPZIWHRSK-AWEZNQCLSA-N 2 0 324.432 2.507 20 0 DFADRP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+]CC1(CCO)CCCC1 ZINC000344204767 272286306 /nfs/dbraw/zinc/28/63/06/272286306.db2.gz DYUNSUHJBPLFKR-UHFFFAOYSA-N 2 0 314.433 2.608 20 0 DFADRP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+][C@@H](CCO)c1ccccc1 ZINC000344216774 272289782 /nfs/dbraw/zinc/28/97/82/272289782.db2.gz VGMUQXCAGYDDJM-IBGZPJMESA-N 2 0 322.412 2.789 20 0 DFADRP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)NCCCC[NH+]1CCCC[C@H]1C ZINC000344614947 272348537 /nfs/dbraw/zinc/34/85/37/272348537.db2.gz LOOIRFAIZXNMNW-ZACQAIPSSA-N 2 0 309.498 2.630 20 0 DFADRP CC[N@H+](Cc1ccc(C(=O)N2CC[C@H]([C@H](C)[NH3+])C2)cc1)C(C)C ZINC000272241674 427682319 /nfs/dbraw/zinc/68/23/19/427682319.db2.gz KXTLPWYRGYQYPW-YJBOKZPZSA-N 2 0 317.477 2.726 20 0 DFADRP CC[N@@H+]1C[C@H](C)[C@H](N[C@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC000344832622 272375500 /nfs/dbraw/zinc/37/55/00/272375500.db2.gz PBULRGKNMKFJFO-QGZVKYPTSA-N 2 0 315.505 2.969 20 0 DFADRP C[C@H]([NH2+][C@@H]1C[C@@H](C)N(C2CC2)C1)c1cccc(-n2ccnn2)c1 ZINC000287781756 427690887 /nfs/dbraw/zinc/69/08/87/427690887.db2.gz SDXVXBKQAZPTEI-IJEWVQPXSA-N 2 0 311.433 2.543 20 0 DFADRP CC[N@@H+]1CC[C@H](C[NH2+][C@@H]2CCC[C@@H](CCCC(=O)OC)C2)C1 ZINC000339188439 427723229 /nfs/dbraw/zinc/72/32/29/427723229.db2.gz DFYMTFHMJHLKMM-GVDBMIGSSA-N 2 0 310.482 2.820 20 0 DFADRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+]Cc1cc2ccccc2o1 ZINC000185878352 427723532 /nfs/dbraw/zinc/72/35/32/427723532.db2.gz FUAISTLMOLVZIS-OAHLLOKOSA-N 2 0 301.434 2.548 20 0 DFADRP c1ccc(C[NH+]2C[C@H]3C[N@H+](C[C@@H]4CCSC4)C[C@H]3C2)cc1 ZINC000279587552 427707949 /nfs/dbraw/zinc/70/79/49/427707949.db2.gz CHAJVZWLOPYBPY-OKZBNKHCSA-N 2 0 302.487 2.803 20 0 DFADRP C[NH+](C)CCC[NH2+][C@H]1CCc2cccc(Br)c2C1 ZINC000339170183 427714998 /nfs/dbraw/zinc/71/49/98/427714998.db2.gz IVCKIVQLRAVDDI-ZDUSSCGKSA-N 2 0 311.267 2.848 20 0 DFADRP CC[C@H]([NH2+]Cc1cccc(C[NH+](C)C)c1)C1(C(=O)OC)CCC1 ZINC000272341623 427715298 /nfs/dbraw/zinc/71/52/98/427715298.db2.gz BTNDGYKGELZUGE-KRWDZBQOSA-N 2 0 318.461 2.960 20 0 DFADRP COc1ccc(F)c(C[NH2+][C@@H]2CCO[C@@H](c3cncn3C)C2)c1 ZINC000339357105 427759426 /nfs/dbraw/zinc/75/94/26/427759426.db2.gz DXPOALQPHZYQOZ-CXAGYDPISA-N 2 0 319.380 2.578 20 0 DFADRP Cc1cnc(C[NH+]2CCC(CCC[NH+]3CCCC3)CC2)cn1 ZINC000336857822 427763465 /nfs/dbraw/zinc/76/34/65/427763465.db2.gz VHOPMKLBTVZZDN-UHFFFAOYSA-N 2 0 302.466 2.873 20 0 DFADRP CC[NH+](CC)CCC[C@@H](C)NC(=O)[C@H]([NH3+])CC1CCCCC1 ZINC000336863070 427764839 /nfs/dbraw/zinc/76/48/39/427764839.db2.gz HSJKAFZDYQQUJN-NVXWUHKLSA-N 2 0 311.514 2.911 20 0 DFADRP C[C@H]1C[C@H]([NH2+]C[C@H](O)CN2CCc3ccccc3C2)C[C@@H](C)C1 ZINC000339548608 427790976 /nfs/dbraw/zinc/79/09/76/427790976.db2.gz WUKPJBVWYVXLQW-FIYPYCPBSA-N 2 0 316.489 2.820 20 0 DFADRP Cn1nccc1CC[NH+]1CCC(CCC[NH+]2CCCC2)CC1 ZINC000336865459 427766013 /nfs/dbraw/zinc/76/60/13/427766013.db2.gz ULSGQCIKRZJRIF-UHFFFAOYSA-N 2 0 304.482 2.551 20 0 DFADRP C[NH+](C)CCOc1cccc(NC2CC[NH+](C3CC3)CC2)c1 ZINC000336867691 427766937 /nfs/dbraw/zinc/76/69/37/427766937.db2.gz UDVOUIBBFYMPFH-UHFFFAOYSA-N 2 0 303.450 2.666 20 0 DFADRP CC1=C[C@H](C)C[C@@H](C[NH2+]C[C@H](C(C)C)N2CC[NH+](C)CC2)C1 ZINC000336865925 427767154 /nfs/dbraw/zinc/76/71/54/427767154.db2.gz UXLMOJOKIBYECS-QXAKKESOSA-N 2 0 307.526 2.840 20 0 DFADRP Cc1cnn(CC[NH+]2CCC(CCC[NH+]3CCCC3)CC2)c1 ZINC000336866682 427767200 /nfs/dbraw/zinc/76/72/00/427767200.db2.gz POQQRAYFUWPPMS-UHFFFAOYSA-N 2 0 304.482 2.780 20 0 DFADRP Cc1nc2ccc(C[NH+]3CCC(OCCC[NH3+])CC3)cc2s1 ZINC000339407428 427768651 /nfs/dbraw/zinc/76/86/51/427768651.db2.gz LKZRIYMOFSNVJY-UHFFFAOYSA-N 2 0 319.474 2.935 20 0 DFADRP COc1ccc(F)c(C[NH2+]CC2(SC)CC[NH+](C)CC2)c1 ZINC000339403387 427769343 /nfs/dbraw/zinc/76/93/43/427769343.db2.gz PHFOGIPJVJAKEB-UHFFFAOYSA-N 2 0 312.454 2.751 20 0 DFADRP COC(=O)c1oc([C@@H](C)N2CC[C@]3(C2)CCC[N@H+](C)C3)cc1C ZINC000339433061 427773382 /nfs/dbraw/zinc/77/33/82/427773382.db2.gz IYDWVELPQLQBJO-RDTXWAMCSA-N 2 0 320.433 2.853 20 0 DFADRP COc1ccc(C[N@H+](C[C@H]2CCC[NH2+]C2)[C@@H](CO)C(C)C)cc1 ZINC000339431721 427773678 /nfs/dbraw/zinc/77/36/78/427773678.db2.gz UUFWGADDRNARKK-HKUYNNGSSA-N 2 0 320.477 2.514 20 0 DFADRP COC(=O)CCC[C@@H]1CCC[C@@H]([NH2+]CC2CC[NH+](C)CC2)C1 ZINC000339240342 427738683 /nfs/dbraw/zinc/73/86/83/427738683.db2.gz SCYUVIMKURPVIK-DOTOQJQBSA-N 2 0 310.482 2.820 20 0 DFADRP C[N@@H+]1CCC[C@H]1CCN1CCO[C@H](CCc2ccccc2)C1 ZINC000186051743 427743936 /nfs/dbraw/zinc/74/39/36/427743936.db2.gz JILSJROMXBBORN-RBUKOAKNSA-N 2 0 302.462 2.804 20 0 DFADRP CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)C23CCC[NH+]2CCC3)C1 ZINC000339270982 427746649 /nfs/dbraw/zinc/74/66/49/427746649.db2.gz KLSKGKGTCWJALI-INIZCTEOSA-N 2 0 321.509 2.632 20 0 DFADRP C[C@H](O)CCC[N@@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000336655991 427746829 /nfs/dbraw/zinc/74/68/29/427746829.db2.gz JULWYXTVBCCOPO-YTQUADARSA-N 2 0 302.462 2.601 20 0 DFADRP Cc1noc(C)c1CC[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000339657271 427808509 /nfs/dbraw/zinc/80/85/09/427808509.db2.gz DIPYBOFJMTWNGY-MAUKXSAKSA-N 2 0 303.450 2.783 20 0 DFADRP C[C@H]([NH2+]Cc1ccc(OCC[NH+]2CCCC2)cc1)c1cn[nH]c1 ZINC000339795827 427830543 /nfs/dbraw/zinc/83/05/43/427830543.db2.gz RYMFSECFRZJBOV-HNNXBMFYSA-N 2 0 314.433 2.735 20 0 DFADRP COCCN1CCC[C@@H]1C[NH2+]Cc1cc2c(ccc(C)c2C)[nH]1 ZINC000349631551 427833671 /nfs/dbraw/zinc/83/36/71/427833671.db2.gz OWVTUYGFVNKXEJ-QGZVFWFLSA-N 2 0 315.461 2.985 20 0 DFADRP CC[C@H](C)[N@H+](C)CCNC(=O)[C@H](c1ccccc1)[NH+](CC)CC ZINC000355622044 427834127 /nfs/dbraw/zinc/83/41/27/427834127.db2.gz ACZYJJPAONZROD-WMZOPIPTSA-N 2 0 319.493 2.916 20 0 DFADRP CC[NH+](CC)CCOCC[NH2+][C@H](C)c1ccc(F)cc1F ZINC000349673439 427840737 /nfs/dbraw/zinc/84/07/37/427840737.db2.gz YDJGZAFNMTWTFV-CYBMUJFWSA-N 2 0 300.393 2.974 20 0 DFADRP CC[NH+](CC)CCOCC[NH2+][C@@H]1CCCc2nc(C)sc21 ZINC000349670278 427840837 /nfs/dbraw/zinc/84/08/37/427840837.db2.gz VCAFYJHAHUGEMM-CQSZACIVSA-N 2 0 311.495 2.777 20 0 DFADRP CCc1cc(OC)ccc1C[NH2+]CCCC[N@@H+]1CCC[C@@H]1CO ZINC000337328414 427846624 /nfs/dbraw/zinc/84/66/24/427846624.db2.gz DYLWFVYNPHFMOE-GOSISDBHSA-N 2 0 320.477 2.584 20 0 DFADRP CC(C)C[C@@H](CNC(=O)[C@H](C)[N@H+](C)Cc1ccccc1)[NH+](C)C ZINC000345680157 427856825 /nfs/dbraw/zinc/85/68/25/427856825.db2.gz XYTZPUJJNPSQSG-WMZOPIPTSA-N 2 0 319.493 2.599 20 0 DFADRP Cc1nccnc1CC[NH2+]C1CC[NH+]([C@H]2CCC[C@H](C)C2)CC1 ZINC000340489389 427861516 /nfs/dbraw/zinc/86/15/16/427861516.db2.gz MGRNGWWAFAKVBS-YJBOKZPZSA-N 2 0 316.493 2.960 20 0 DFADRP CCSCC[NH2+]CCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000355737129 427868364 /nfs/dbraw/zinc/86/83/64/427868364.db2.gz QHHYQJJXCCAYEH-UHFFFAOYSA-N 2 0 321.534 2.537 20 0 DFADRP Cc1ccc(C)c2c1CCC[C@@H]2[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000349810491 427868868 /nfs/dbraw/zinc/86/88/68/427868868.db2.gz BUXNWNOKHGFOLB-WMZOPIPTSA-N 2 0 302.462 2.727 20 0 DFADRP C/C(=C\c1ccccc1)C[N@H+](C)CCCN1CC[NH+](C)CC1 ZINC000337476420 427925365 /nfs/dbraw/zinc/92/53/65/427925365.db2.gz SIFXQJIJXQTDRT-FBMGVBCBSA-N 2 0 301.478 2.659 20 0 DFADRP C[C@@H]([NH2+]Cc1ccc(OCC[NH+](C)C)cc1)[C@@H]1CCCOC1 ZINC000355747838 427872211 /nfs/dbraw/zinc/87/22/11/427872211.db2.gz WVNFYOACAVLGAX-NVXWUHKLSA-N 2 0 306.450 2.532 20 0 DFADRP COc1cc(C)c(C[C@@H](C)[NH2+]CC2CC[NH+](C)CC2)cc1OC ZINC000337407148 427890046 /nfs/dbraw/zinc/89/00/46/427890046.db2.gz USQBULNJYGENKG-OAHLLOKOSA-N 2 0 320.477 2.875 20 0 DFADRP CC[N@@H+]1CC[C@@H](C[NH2+][C@@H](C)Cc2cc(OC)c(OC)cc2C)C1 ZINC000337409599 427891279 /nfs/dbraw/zinc/89/12/79/427891279.db2.gz WHJBSJKCTIYADP-HOTGVXAUSA-N 2 0 320.477 2.875 20 0 DFADRP CC(C)[C@@H](CC(F)(F)F)[NH2+]CCCN1CC[NH+](C(C)C)CC1 ZINC000337424526 427898383 /nfs/dbraw/zinc/89/83/83/427898383.db2.gz RKAONXZIRQBWHI-OAHLLOKOSA-N 2 0 323.447 2.969 20 0 DFADRP CC(C)[C@H](CC(F)(F)F)[NH2+]CCCN1CC[NH+](C(C)C)CC1 ZINC000337424525 427899157 /nfs/dbraw/zinc/89/91/57/427899157.db2.gz RKAONXZIRQBWHI-HNNXBMFYSA-N 2 0 323.447 2.969 20 0 DFADRP COc1ccccc1OCC[N@H+](CCC[NH3+])Cc1ccccc1 ZINC000303991160 427909803 /nfs/dbraw/zinc/90/98/03/427909803.db2.gz WNWYPYVXIZMNOA-UHFFFAOYSA-N 2 0 314.429 2.925 20 0 DFADRP C[C@H]([NH2+]CCc1ccc(OCC[NH+](C)C)cc1)[C@@]1(C)CCCO1 ZINC000340479138 427859406 /nfs/dbraw/zinc/85/94/06/427859406.db2.gz WIPLZLSJZNWYFE-QFBILLFUSA-N 2 0 320.477 2.717 20 0 DFADRP [NH3+][C@@H]1CCC[C@H]2C[N@H+](Cc3c(F)cccc3N3CCCC3)C[C@H]21 ZINC000346824070 272690568 /nfs/dbraw/zinc/69/05/68/272690568.db2.gz KXGYJBHHAUJSPJ-HDMKZQKVSA-N 2 0 317.452 2.985 20 0 DFADRP CCO[C@@H]1C[C@H]([NH2+]C[C@H]2CC[N@H+](CC)C2)[C@H]1Oc1ccccc1 ZINC000359660903 427961171 /nfs/dbraw/zinc/96/11/71/427961171.db2.gz MMEWTQYUGRGFCM-QXCFHYIPSA-N 2 0 318.461 2.543 20 0 DFADRP CCN(CC)C(=O)c1ccc(C[NH2+][C@@H]2CC[N@H+](C)C[C@H]2C)cc1 ZINC000359663465 427962681 /nfs/dbraw/zinc/96/26/81/427962681.db2.gz VYGDGXPDULDDHS-CRAIPNDOSA-N 2 0 317.477 2.598 20 0 DFADRP Cc1cccc(N2CCC([NH2+][C@@H](C)[C@@]3(C)CCCO3)CC2)n1 ZINC000340244103 427965835 /nfs/dbraw/zinc/96/58/35/427965835.db2.gz DGZLPFPRHXAQPY-MAUKXSAKSA-N 2 0 303.450 2.906 20 0 DFADRP CCC(C)(C)[NH2+][C@H](C)C(=O)NC1CC[NH+](CC2CCCC2)CC1 ZINC000355973955 427968004 /nfs/dbraw/zinc/96/80/04/427968004.db2.gz XPZBFCKGEPVIRJ-OAHLLOKOSA-N 2 0 323.525 2.924 20 0 DFADRP C[C@@H]1C[NH+](CC2CC[NH+](CCc3cscn3)CC2)C[C@@H](C)O1 ZINC000340282502 427976097 /nfs/dbraw/zinc/97/60/97/427976097.db2.gz KSHWZABRERUOIJ-HUUCEWRRSA-N 2 0 323.506 2.507 20 0 DFADRP Cc1cnc(CNC[C@H]2CCC[N@H+](C)[C@H]2c2cccs2)n1C ZINC000341048016 427978881 /nfs/dbraw/zinc/97/88/81/427978881.db2.gz RPIURCZXBRTLAD-RHSMWYFYSA-N 2 0 318.490 2.963 20 0 DFADRP Cc1cnc(C[NH2+]CC2CC[NH+](Cc3cccs3)CC2)n1C ZINC000341048060 427979711 /nfs/dbraw/zinc/97/97/11/427979711.db2.gz OCLHIBRAWJBCJJ-UHFFFAOYSA-N 2 0 318.490 2.792 20 0 DFADRP CCNC(=O)C(C)(C)C[NH2+][C@H]1CCN(C)[C@H](c2ccccc2)C1 ZINC000340335207 427989815 /nfs/dbraw/zinc/98/98/15/427989815.db2.gz VGWJCPMOUZSAAO-IRXDYDNUSA-N 2 0 317.477 2.574 20 0 DFADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+]Cc2ccsc2Cl)CC1 ZINC000359726042 427990500 /nfs/dbraw/zinc/99/05/00/427990500.db2.gz WOJNMCUFFRXLGW-ZDUSSCGKSA-N 2 0 315.914 2.765 20 0 DFADRP CC(C)CC[C@@H](O)C[NH+]1CCC2(C[C@H]2C[N@H+](C)C2CC2)CC1 ZINC000369539738 427991855 /nfs/dbraw/zinc/99/18/55/427991855.db2.gz GJBIUZCKJMDESO-FUHWJXTLSA-N 2 0 308.510 2.980 20 0 DFADRP CC(C)N(CC[NH+]1CCCCCC1)C(=O)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000345889064 427941653 /nfs/dbraw/zinc/94/16/53/427941653.db2.gz QCKRLAMUXOQAKI-QZTJIDSGSA-N 2 0 323.525 2.830 20 0 DFADRP CC[C@H]([NH2+]CCC[NH+]1CCCC1)c1ccc(C(=O)OC)cc1 ZINC000340179750 427948223 /nfs/dbraw/zinc/94/82/23/427948223.db2.gz HDMLHOYFCRQGMI-KRWDZBQOSA-N 2 0 304.434 3.000 20 0 DFADRP CC[C@H]([NH2+]C[C@H]1CC[N@H+](CC)C1)c1ccc(C(=O)OC)cc1 ZINC000340188847 427950389 /nfs/dbraw/zinc/95/03/89/427950389.db2.gz QKLQEKKEZUCRJT-PBHICJAKSA-N 2 0 304.434 2.856 20 0 DFADRP CCC[NH+](CCC)CCCC(=O)N1C[C@@H](C)[N@H+](CC)C[C@H]1C ZINC000345917028 427951700 /nfs/dbraw/zinc/95/17/00/427951700.db2.gz JXQUGTRUNHELMV-IAGOWNOFSA-N 2 0 311.514 2.830 20 0 DFADRP Cn1ccnc1C[C@H]1CCC[N@H+](CC[C@H]2CCCC[NH+]2C)C1 ZINC000340919347 427952809 /nfs/dbraw/zinc/95/28/09/427952809.db2.gz YFAWJYLKQZRYMD-IAGOWNOFSA-N 2 0 304.482 2.549 20 0 DFADRP CCC[N@H+](CC)C[C@@H](C)NC(=O)[C@@H]1CCC[NH+]1C1CCCC1 ZINC000359806282 428024109 /nfs/dbraw/zinc/02/41/09/428024109.db2.gz LWIKWUCXEIXFHC-WBVHZDCISA-N 2 0 309.498 2.630 20 0 DFADRP C[NH+](C)CC1CC[NH+](Cc2cc(-n3ccnc3)cs2)CC1 ZINC000346139176 428033734 /nfs/dbraw/zinc/03/37/34/428033734.db2.gz KRTPMFPJELJNNQ-UHFFFAOYSA-N 2 0 304.463 2.707 20 0 DFADRP CC[C@@H]1C[N@H+](CCCCn2ccnc2C)C[C@@]2(CCCOC2)O1 ZINC000369714880 428040917 /nfs/dbraw/zinc/04/09/17/428040917.db2.gz MOOXGVWEQKKGTF-QZTJIDSGSA-N 2 0 321.465 2.632 20 0 DFADRP CC(C)[C@@H]1C[C@H]([NH2+]Cc2cccnc2-n2ccnc2)CS1 ZINC000377015410 428041424 /nfs/dbraw/zinc/04/14/24/428041424.db2.gz XHWSCADTVZKWHW-GJZGRUSLSA-N 2 0 302.447 2.887 20 0 DFADRP CC[NH+](CC)CCOC1CC[NH+](C[C@@H]2CCC(C)(C)O2)CC1 ZINC000359855789 428047572 /nfs/dbraw/zinc/04/75/72/428047572.db2.gz KRSQXLWCXQEZGH-KRWDZBQOSA-N 2 0 312.498 2.767 20 0 DFADRP CC(C)[NH+](CCN(C)C(=O)c1ccc(C[NH+](C)C)cc1)C(C)C ZINC000356172233 428052786 /nfs/dbraw/zinc/05/27/86/428052786.db2.gz XEWZWUDXSXRLDX-UHFFFAOYSA-N 2 0 319.493 2.939 20 0 DFADRP CCN(C)C(=O)CC[NH+]1CCC(CCC[NH+](CC)CC)CC1 ZINC000359871069 428054560 /nfs/dbraw/zinc/05/45/60/428054560.db2.gz IAXWYFKZAQRAAE-UHFFFAOYSA-N 2 0 311.514 2.689 20 0 DFADRP CCN(CC)C(=O)C[NH+]1CCC(CCC[NH+](CC)CC)CC1 ZINC000359883465 428059315 /nfs/dbraw/zinc/05/93/15/428059315.db2.gz WASPSPYVHAEJMI-UHFFFAOYSA-N 2 0 311.514 2.689 20 0 DFADRP Cn1nccc1[C@@H]1CCC[C@@H]([NH2+][C@H]2CCC[C@@H]([NH+](C)C)C2)C1 ZINC000369558283 427998430 /nfs/dbraw/zinc/99/84/30/427998430.db2.gz CIQABAYFCHOXII-WCXIOVBPSA-N 2 0 304.482 2.909 20 0 DFADRP Cc1cc(NC[C@H]2CC[N@@H+](C)[C@H]2c2cccs2)nc(C)n1 ZINC000369562175 428000449 /nfs/dbraw/zinc/00/04/49/428000449.db2.gz XWGPSRQSFAJGJY-CZUORRHYSA-N 2 0 302.447 3.260 20 0 DFADRP CCOCCC1(C[NH2+][C@@H]2CC[N@H+](C[C@H]3CCCO3)C[C@@H]2C)CC1 ZINC000376804765 428002147 /nfs/dbraw/zinc/00/21/47/428002147.db2.gz QXTDKKVAXDPDHB-RCCFBDPRSA-N 2 0 324.509 2.672 20 0 DFADRP CC(C)N(C(=O)C[NH+]1CCC(C[NH+](C)C)CC1)c1ccccc1 ZINC000341186279 428003971 /nfs/dbraw/zinc/00/39/71/428003971.db2.gz MXPHWSDCFYGINU-UHFFFAOYSA-N 2 0 317.477 2.702 20 0 DFADRP CC[N@@H+]1CC[C@H]([NH+](C)CCc2ccccc2C(=O)OC)C[C@H]1C ZINC000359888657 428061414 /nfs/dbraw/zinc/06/14/14/428061414.db2.gz UWFDVFLYKQKLQG-WBVHZDCISA-N 2 0 318.461 2.820 20 0 DFADRP C[C@H]([NH2+]CC1(CCO)CC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000376899519 428020346 /nfs/dbraw/zinc/02/03/46/428020346.db2.gz SLMLLSLGFAMKEH-FUHWJXTLSA-N 2 0 302.462 2.649 20 0 DFADRP CC[N@@H+]1CC[C@@H]([NH2+]Cc2cccc(-c3nccn3C)c2)[C@H](C)C1 ZINC000369840307 428073617 /nfs/dbraw/zinc/07/36/17/428073617.db2.gz KWNRETHZIYWRBT-CRAIPNDOSA-N 3 0 312.461 2.907 20 0 DFADRP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+]1CCS[C@H](C)[C@@H]1C ZINC000346219934 428075458 /nfs/dbraw/zinc/07/54/58/428075458.db2.gz NLBDBAOYRYYDTB-UONOGXRCSA-N 2 0 302.447 2.902 20 0 DFADRP C[C@@H]([NH2+][C@@H]1CCN(C2CC[NH+](C)CC2)C1)c1ccc(F)c(F)c1 ZINC000369880447 428081699 /nfs/dbraw/zinc/08/16/99/428081699.db2.gz AWPWHURNWNBNOQ-UKRRQHHQSA-N 2 0 323.431 2.784 20 0 DFADRP CC[NH+]1CCN([C@H](C)C[NH2+][C@@H]2c3cc(F)ccc3C[C@H]2C)CC1 ZINC000359951076 428090533 /nfs/dbraw/zinc/09/05/33/428090533.db2.gz XOKNDSBEFHNYDH-CLCXKQKWSA-N 2 0 319.468 2.675 20 0 DFADRP C[C@@H](CCCC(F)(F)F)[NH2+][C@@H](C)CCN1CC[NH+](C)CC1 ZINC000359972778 428098060 /nfs/dbraw/zinc/09/80/60/428098060.db2.gz XUZJPVAOXDMPKJ-KBPBESRZSA-N 2 0 309.420 2.723 20 0 DFADRP CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)[C@H]1CCC[C@@H]([NH3+])C1 ZINC000346288103 428109860 /nfs/dbraw/zinc/10/98/60/428109860.db2.gz PBTHXAWPCZHUQN-ZWKOTPCHSA-N 2 0 317.477 2.614 20 0 DFADRP C[C@@H]([NH3+])[C@@H]1CC[N@H+](CCOc2ccc(C(F)(F)F)cc2)C1 ZINC000351861186 428113550 /nfs/dbraw/zinc/11/35/50/428113550.db2.gz JIQZJLVSXPWYML-VXGBXAGGSA-N 2 0 302.340 2.753 20 0 DFADRP C[C@H]([NH3+])[C@@H]1CC[N@H+](CCOc2ccc(C(F)(F)F)cc2)C1 ZINC000351861184 428114208 /nfs/dbraw/zinc/11/42/08/428114208.db2.gz JIQZJLVSXPWYML-NWDGAFQWSA-N 2 0 302.340 2.753 20 0 DFADRP C[N@H+](CCCNC(=O)[C@@H]1C[C@H]2CCCC[NH+]2C1)C1CCCCC1 ZINC000370023029 428114285 /nfs/dbraw/zinc/11/42/85/428114285.db2.gz YTDMWCLNWHDHPW-SJLPKXTDSA-N 2 0 321.509 2.632 20 0 DFADRP CC[N@@H+]1CC[C@@H]([NH+](C)CCc2ccc3c(c2)OCCO3)[C@H](C)C1 ZINC000360016436 428117712 /nfs/dbraw/zinc/11/77/12/428117712.db2.gz MHGAEMMJKQBTSV-NVXWUHKLSA-N 2 0 318.461 2.662 20 0 DFADRP CCN1CCC[C@@H]1C[NH2+][C@H]1CCN(C(C)=O)Cc2ccccc21 ZINC000360023332 428121185 /nfs/dbraw/zinc/12/11/85/428121185.db2.gz YTTSEXPVZSNEGY-MJGOQNOKSA-N 2 0 315.461 2.554 20 0 DFADRP CC1=C[C@@H](C)C[C@@H](C[N@H+](C)CCN(C)C2CC[NH+](C)CC2)C1 ZINC000356321553 428125994 /nfs/dbraw/zinc/12/59/94/428125994.db2.gz QJASRKWRORFTIO-SJLPKXTDSA-N 2 0 307.526 2.937 20 0 DFADRP CN1CCC([NH+]2CCC(CC[N@H+](C)CCC3CC3)CC2)CC1 ZINC000359895739 428065833 /nfs/dbraw/zinc/06/58/33/428065833.db2.gz GDKUIAJGYUKXBB-UHFFFAOYSA-N 3 0 307.526 2.915 20 0 DFADRP COc1cccc([C@H](C)[NH2+][C@H]2CCN(C3CC[NH+](C)CC3)C2)c1 ZINC000370110581 428137474 /nfs/dbraw/zinc/13/74/74/428137474.db2.gz ISSBBPJGVUQIPJ-RDJZCZTQSA-N 2 0 317.477 2.514 20 0 DFADRP CCc1nn(C)c(CC)c1C[N@H+](CCC[NH3+])CC1CCCC1 ZINC000352539876 428142759 /nfs/dbraw/zinc/14/27/59/428142759.db2.gz DOXNPGXIJUQLID-UHFFFAOYSA-N 2 0 306.498 2.886 20 0 DFADRP C[N@H+](CCN1CC[C@@H]([NH+]2CCCCC2)C1)Cc1ccc(F)cc1 ZINC000360071613 428144569 /nfs/dbraw/zinc/14/45/69/428144569.db2.gz LYKDBLMRDWQZDS-LJQANCHMSA-N 2 0 319.468 2.818 20 0 DFADRP CSC1(C[NH+]2CCC(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)CC1 ZINC000377540864 428152479 /nfs/dbraw/zinc/15/24/79/428152479.db2.gz KNKLTYPSVMKOMD-GASCZTMLSA-N 2 0 312.523 2.703 20 0 DFADRP CC(C)[C@H](CSc1ccccc1)[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000352558277 428149288 /nfs/dbraw/zinc/14/92/88/428149288.db2.gz VXFLLGHOYQKRPI-AEFFLSMTSA-N 2 0 322.518 2.850 20 0 DFADRP Cc1cccc(C[N@@H+](C)[C@H]2CCN(C3CC[NH+](C)CC3)C2)c1C ZINC000377628939 428176870 /nfs/dbraw/zinc/17/68/70/428176870.db2.gz OYHFCHFSJPSFJK-FQEVSTJZSA-N 2 0 315.505 2.904 20 0 DFADRP C[NH+]1CCN(C[C@H]2CCC[N@H+](C/C=C/c3ccccc3)C2)CC1 ZINC000377628670 428176948 /nfs/dbraw/zinc/17/69/48/428176948.db2.gz QLXWKFQEWNFNNP-MRSBXDGLSA-N 2 0 313.489 2.659 20 0 DFADRP c1nc([C@H]2CCCN(CCC[NH+]3CCCC3)C2)n2c1CCCC2 ZINC000370298138 428180256 /nfs/dbraw/zinc/18/02/56/428180256.db2.gz NVAGOYVHJSTCMK-KRWDZBQOSA-N 3 0 316.493 2.885 20 0 DFADRP CC[C@H]([NH2+]CC1(N2CCCCC2)CC[NH+](C)CC1)[C@H]1C[C@@H]1C ZINC000414111699 428209707 /nfs/dbraw/zinc/20/97/07/428209707.db2.gz MSQUNYKGYVWFOT-BZSNNMDCSA-N 2 0 307.526 2.961 20 0 DFADRP C[C@@H](CCC1CC1)[NH2+]CCCN1CCN(c2cc[nH+]cc2)CC1 ZINC000346552243 428215183 /nfs/dbraw/zinc/21/51/83/428215183.db2.gz FDIVGLAPGMSSIE-KRWDZBQOSA-N 2 0 316.493 2.762 20 0 DFADRP CCN(CCO)CC[NH2+][C@@H]1C[C@@H](C)C[C@H](c2ccccc2)C1 ZINC000346554996 428215939 /nfs/dbraw/zinc/21/59/39/428215939.db2.gz XEWXRDJXOMUOLX-YTQUADARSA-N 2 0 304.478 2.863 20 0 DFADRP Cc1n[nH]c(C)c1C[N@@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000356523057 428217784 /nfs/dbraw/zinc/21/77/84/428217784.db2.gz JMGQIBCESLRYRT-RBUKOAKNSA-N 2 0 324.472 2.980 20 0 DFADRP C[N@H+](CCCCCF)CCN1CC[NH+](Cc2ccccc2)CC1 ZINC000352719801 428219136 /nfs/dbraw/zinc/21/91/36/428219136.db2.gz NLHXXXZVUISLPY-UHFFFAOYSA-N 2 0 321.484 2.876 20 0 DFADRP C[C@@H]([NH2+]CC[C@@H]1CCC[N@H+](C)C1)c1ccc(C(=O)N(C)C)cc1 ZINC000414180646 428226595 /nfs/dbraw/zinc/22/65/95/428226595.db2.gz LQSRKRPAJMBMNA-CVEARBPZSA-N 2 0 317.477 2.771 20 0 DFADRP C[C@H]([NH2+]CC[C@H]1CCC[N@H+](C)C1)c1nc2ccccc2n1C ZINC000414184824 428227463 /nfs/dbraw/zinc/22/74/63/428227463.db2.gz OJMRJWOCEYEBQC-LSDHHAIUSA-N 2 0 300.450 2.956 20 0 DFADRP C[N@@H+]1CCCC[C@@H]1CN1CC[NH+](CCSC(C)(C)C)CC1 ZINC000370505920 428227864 /nfs/dbraw/zinc/22/78/64/428227864.db2.gz ADBCTIQEEWOQGE-MRXNPFEDSA-N 2 0 313.555 2.620 20 0 DFADRP Cc1cc(N2CC[NH+](CCO)CC2)c2cc(Cl)cc(C)c2[nH+]1 ZINC000360263431 428227973 /nfs/dbraw/zinc/22/79/73/428227973.db2.gz BKBKLNRDMSWWFM-UHFFFAOYSA-N 2 0 319.836 2.619 20 0 DFADRP CC[C@@H]([NH2+]Cc1ccc2c[nH+]cn2c1)C1(C(=O)OC)CCC1 ZINC000414179517 428228130 /nfs/dbraw/zinc/22/81/30/428228130.db2.gz KJTKTRFBVRCDRS-OAHLLOKOSA-N 2 0 301.390 2.546 20 0 DFADRP CCC[NH+](CCC)CCCNC(=O)[C@H](C)[NH+]1[C@@H](C)CC[C@@H]1C ZINC000341863268 428232300 /nfs/dbraw/zinc/23/23/00/428232300.db2.gz NGVNSWDRLRJIGB-ULQDDVLXSA-N 2 0 311.514 2.876 20 0 DFADRP CCO[C@@H](CC[NH+](C)C)C[NH2+]C/C=C\c1ccc(F)c(F)c1 ZINC000352763107 428236405 /nfs/dbraw/zinc/23/64/05/428236405.db2.gz GRZSPRNTBLLTHF-YVACAVLKSA-N 2 0 312.404 2.924 20 0 DFADRP C[N@@H+]1CCC[C@@H]1CC[NH+]1C[C@H](CO)[C@H](c2ccc(Cl)cc2)C1 ZINC000352770617 428239867 /nfs/dbraw/zinc/23/98/67/428239867.db2.gz NEUZNUPYPRCJBV-NXHRZFHOSA-N 2 0 322.880 2.832 20 0 DFADRP CC[N@@H+]1CC[C@@H](N(C)C(=O)c2cccc(C[NH+](C)C)c2)[C@@H](C)C1 ZINC000346481332 428189848 /nfs/dbraw/zinc/18/98/48/428189848.db2.gz GOFTUMCIJPOCHD-MAUKXSAKSA-N 2 0 317.477 2.551 20 0 DFADRP C[C@H]([NH2+]CCCC[NH+]1CCC(C)CC1)c1cc2n(n1)CCC2 ZINC000414071121 428196281 /nfs/dbraw/zinc/19/62/81/428196281.db2.gz LQIGBPTVADJCQX-INIZCTEOSA-N 2 0 304.482 2.992 20 0 DFADRP CCCC[NH+]1CCC([NH2+][C@H](C)Cc2ccc(OC)nc2)CC1 ZINC000414078495 428199708 /nfs/dbraw/zinc/19/97/08/428199708.db2.gz RBDAIJNXEYKZKE-OAHLLOKOSA-N 2 0 305.466 2.875 20 0 DFADRP [NH3+][C@@H]1CCN(Cc2cccc(OCc3ccccc3F)c2)C1 ZINC000346670393 428265411 /nfs/dbraw/zinc/26/54/11/428265411.db2.gz UQIKLPBFXVNKMI-MRXNPFEDSA-N 2 0 300.377 2.938 20 0 DFADRP C[C@@H]1C[C@H](C[NH3+])CN1CC(C)(C)C[N@H+](C)Cc1ccccc1 ZINC000346668530 428266299 /nfs/dbraw/zinc/26/62/99/428266299.db2.gz IUEFNZCKCYHOLQ-SJLPKXTDSA-N 2 0 303.494 2.814 20 0 DFADRP CN1CCC([NH+]2CCC(CC[NH2+]C(C3CC3)C3CC3)CC2)CC1 ZINC000370661583 428267661 /nfs/dbraw/zinc/26/76/61/428267661.db2.gz UGIRYKHVXNHEGK-UHFFFAOYSA-N 2 0 319.537 2.961 20 0 DFADRP C[N@@H+]1CC[C@H]([NH2+][C@@H]2CCN(c3ccc(F)cc3)C2)[C@H]2CCC[C@@H]21 ZINC000414355954 428270775 /nfs/dbraw/zinc/27/07/75/428270775.db2.gz ZKHOFSDYJFCOKF-YSHGAJCASA-N 2 0 317.452 2.867 20 0 DFADRP C[C@H]1C[C@H](C[NH3+])C[N@@H+]1Cc1ccccc1OCc1ccccn1 ZINC000346678545 428272001 /nfs/dbraw/zinc/27/20/01/428272001.db2.gz LRKPLTPPZMOCMZ-JKSUJKDBSA-N 2 0 311.429 2.830 20 0 DFADRP C[C@@H]1C[C@@H](C[NH3+])C[N@@H+]1Cc1ccc(OCC(F)(F)F)cc1 ZINC000346694083 428275496 /nfs/dbraw/zinc/27/54/96/428275496.db2.gz RTVTYJGTRXBMFV-YPMHNXCESA-N 2 0 302.340 2.797 20 0 DFADRP CCCOc1cc(C)ccc1C[NH2+]Cc1cnc(N(C)C)n1C ZINC000414378819 428276909 /nfs/dbraw/zinc/27/69/09/428276909.db2.gz LQVTWPBFFZJQDS-UHFFFAOYSA-N 2 0 316.449 2.873 20 0 DFADRP C[C@H]1C[C@H](C[NH3+])C[N@@H+]1Cc1cccc(OCC(F)(F)F)c1 ZINC000346694596 428277446 /nfs/dbraw/zinc/27/74/46/428277446.db2.gz VBCWJSZBRRCRNO-WCQYABFASA-N 2 0 302.340 2.797 20 0 DFADRP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](CCC(=O)Nc3ccc(Cl)cc3)C[C@@H]21 ZINC000342097464 428298574 /nfs/dbraw/zinc/29/85/74/428298574.db2.gz HSKCDRZWHZLESL-UHOFOFEASA-N 2 0 321.852 2.728 20 0 DFADRP OC[C@H]1CCC[N@@H+]1C[C@H]1CCCN1c1cc[nH+]c2ccccc21 ZINC000370723187 428283904 /nfs/dbraw/zinc/28/39/04/428283904.db2.gz SOYVSQARKFCKMP-HZPDHXFCSA-N 2 0 311.429 2.660 20 0 DFADRP CC(C)N(C)c1ccc(CN2CCC[C@@H]3C[N@H+](C)CC[C@H]32)cn1 ZINC000377838599 428243260 /nfs/dbraw/zinc/24/32/60/428243260.db2.gz AJVYETARZCYTMA-QZTJIDSGSA-N 2 0 316.493 2.842 20 0 DFADRP C[C@H]1CCC[C@H]([NH+]2CCC([NH2+]CCc3cnccn3)CC2)C1 ZINC000341901443 428245787 /nfs/dbraw/zinc/24/57/87/428245787.db2.gz YROWDYUYTMPZKI-YJBOKZPZSA-N 2 0 302.466 2.652 20 0 DFADRP CCSCC[NH2+]CC1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000377860925 428247570 /nfs/dbraw/zinc/24/75/70/428247570.db2.gz MXKIPRJUTMQUPH-SFHVURJKSA-N 2 0 322.518 2.775 20 0 DFADRP C[N@@H+]1CC[C@H]([NH2+]CCOc2ncccc2Cl)[C@H]2CCC[C@@H]21 ZINC000370586054 428247680 /nfs/dbraw/zinc/24/76/80/428247680.db2.gz ZXPMRUSUPKEFJF-SNPRPXQTSA-N 2 0 309.841 2.576 20 0 DFADRP Cc1nccn1CCNC(=O)c1cccc(Oc2ccncc2)c1 ZINC000352794121 428251259 /nfs/dbraw/zinc/25/12/59/428251259.db2.gz FNMCGFUUWHPRDF-UHFFFAOYSA-N 2 0 322.368 2.809 20 0 DFADRP C[NH+]1CCC([C@@H]2CC[N@H+](Cc3c[nH]nc3C(C)(C)C)C2)CC1 ZINC000377883569 428252439 /nfs/dbraw/zinc/25/24/39/428252439.db2.gz KHXFDWDDQVBABE-OAHLLOKOSA-N 2 0 304.482 2.871 20 0 DFADRP Cc1nn(C(C)C)cc1C[N@@H+]1CC[C@H](C2CC[NH+](C)CC2)C1 ZINC000377885404 428254027 /nfs/dbraw/zinc/25/40/27/428254027.db2.gz SUOIBSLMLMTQFX-KRWDZBQOSA-N 2 0 304.482 2.936 20 0 DFADRP [NH3+][C@@H](CC(=O)N1CCC[C@@H]([NH+]2CCCCC2)C1)c1ccccc1 ZINC000370860669 428309433 /nfs/dbraw/zinc/30/94/33/428309433.db2.gz JNDCWAYUXJEHPT-MSOLQXFVSA-N 2 0 315.461 2.553 20 0 DFADRP CN(Cc1cncn1Cc1ccccc1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000352921911 428314930 /nfs/dbraw/zinc/31/49/30/428314930.db2.gz MDBXIQKNVZHONH-DFNIBXOVSA-N 2 0 324.472 2.988 20 0 DFADRP CC(C)[NH+]1CCC(N(CC[NH3+])c2ccc3ccccc3n2)CC1 ZINC000414483770 428316233 /nfs/dbraw/zinc/31/62/33/428316233.db2.gz FUOLEJBUDCMCRZ-UHFFFAOYSA-N 2 0 312.461 2.873 20 0 DFADRP COc1cc2c(c(CN3CC[C@@H]4CC[N@H+](C)C[C@H]43)c1)O[C@H](C)C2 ZINC000352930309 428318116 /nfs/dbraw/zinc/31/81/16/428318116.db2.gz KBRXJNCXOYXAOU-QWQRMKEZSA-N 2 0 316.445 2.545 20 0 DFADRP CCc1nocc1CN1CC[C@@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000353023457 428356170 /nfs/dbraw/zinc/35/61/70/428356170.db2.gz XHALSRLBMDYQRC-INIZCTEOSA-N 2 0 314.433 2.586 20 0 DFADRP CCOc1cc(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)ccc1OC ZINC000346841268 428341396 /nfs/dbraw/zinc/34/13/96/428341396.db2.gz GYXDZZWTTKLMLP-HRCADAONSA-N 2 0 304.434 2.653 20 0 DFADRP C[N@H+](Cc1ccccc1)CC(C)(C)CN1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000346840105 428343030 /nfs/dbraw/zinc/34/30/30/428343030.db2.gz ZIVGZRSTVWGNTF-IPMKNSEASA-N 2 0 315.505 2.814 20 0 DFADRP C[C@@H](C(=O)Nc1cccc2ccccc21)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000360567471 428352053 /nfs/dbraw/zinc/35/20/53/428352053.db2.gz FFXYXXZIAGKAQQ-YWZLYKJASA-N 2 0 323.440 2.852 20 0 DFADRP C[C@@H](C(=O)Nc1cccc2ccccc21)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000360567469 428352378 /nfs/dbraw/zinc/35/23/78/428352378.db2.gz FFXYXXZIAGKAQQ-MGPUTAFESA-N 2 0 323.440 2.852 20 0 DFADRP [NH3+]CC[C@@H]1CCC[N@H+](Cc2cccc(O)c2Br)C1 ZINC000414728136 428388541 /nfs/dbraw/zinc/38/85/41/428388541.db2.gz BQMMCZZMLWHVAX-NSHDSACASA-N 2 0 313.239 2.716 20 0 DFADRP Cc1cc(C)cc(NC(=O)C[NH+]2CCC([C@H]3CC[NH2+]C3)CC2)c1 ZINC000357107438 428390559 /nfs/dbraw/zinc/39/05/59/428390559.db2.gz RHGBZKBWDIKPID-KRWDZBQOSA-N 2 0 315.461 2.563 20 0 DFADRP [NH3+]CC(=O)N1CCC[C@@H](C[N@@H+]2CCCC3(CCCCC3)CC2)C1 ZINC000414746093 428392730 /nfs/dbraw/zinc/39/27/30/428392730.db2.gz QCUCFUWDRUIVJZ-KRWDZBQOSA-N 2 0 321.509 2.620 20 0 DFADRP CCCn1nccc1C1CC[NH+](C[C@@H]2CC[NH2+][C@@H](C)C2)CC1 ZINC000414751069 428393505 /nfs/dbraw/zinc/39/35/05/428393505.db2.gz ZNNVYDVHVFCCNL-JKSUJKDBSA-N 2 0 304.482 2.861 20 0 DFADRP C[C@H]1C[C@H](C[N@H+](CCc2ccccn2)Cc2cccnc2)CC[NH2+]1 ZINC000414761079 428394777 /nfs/dbraw/zinc/39/47/77/428394777.db2.gz ZZWGUEUMANUAMT-ZWKOTPCHSA-N 2 0 324.472 2.909 20 0 DFADRP CCC(C)(C)[NH2+][C@@H](C)C(=O)N[C@H]1CC[N@H+](CC2CCCC2)C1 ZINC000346983332 428395515 /nfs/dbraw/zinc/39/55/15/428395515.db2.gz PQMLCZPINISVQN-HOCLYGCPSA-N 2 0 309.498 2.534 20 0 DFADRP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+]C[C@@H]1CCCSC1 ZINC000342308698 428396097 /nfs/dbraw/zinc/39/60/97/428396097.db2.gz HWQXOMUOVNIQGT-AWEZNQCLSA-N 2 0 302.447 2.809 20 0 DFADRP c1csc(-c2n[nH]cc2C[N@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)c1 ZINC000414770665 428397602 /nfs/dbraw/zinc/39/76/02/428397602.db2.gz PITOMEAAFJEMDG-BETUJISGSA-N 2 0 302.447 2.570 20 0 DFADRP COc1cc(C[N@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)ccc1SC ZINC000414764400 428398340 /nfs/dbraw/zinc/39/83/40/428398340.db2.gz DHZRNOGPUUBEQF-GASCZTMLSA-N 2 0 306.475 2.849 20 0 DFADRP O=c1[nH]c2ccccc2cc1C[N@@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000414775031 428399882 /nfs/dbraw/zinc/39/98/82/428399882.db2.gz GAYYVFBZROMNFP-JKSUJKDBSA-N 2 0 311.429 2.762 20 0 DFADRP O=c1[nH]c2ccccc2cc1C[N@@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000414775025 428399976 /nfs/dbraw/zinc/39/99/76/428399976.db2.gz GAYYVFBZROMNFP-HOTGVXAUSA-N 2 0 311.429 2.762 20 0 DFADRP CC(C)N(C)c1ccc(C[N@@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)cn1 ZINC000414773631 428400748 /nfs/dbraw/zinc/40/07/48/428400748.db2.gz DQBOIRYDEGGWKF-ROUUACIJSA-N 2 0 316.493 2.748 20 0 DFADRP Cc1nn(C(C)(C)C)c(C)c1C[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000414773750 428400821 /nfs/dbraw/zinc/40/08/21/428400821.db2.gz XQWHKVRUVXVKMZ-IYBDPMFKSA-N 2 0 304.482 2.686 20 0 DFADRP Fc1cc(C[N@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)ccc1OC(F)F ZINC000414771764 428400979 /nfs/dbraw/zinc/40/09/79/428400979.db2.gz ROBYLXRFLMHLCO-BETUJISGSA-N 2 0 314.351 2.859 20 0 DFADRP c1csc(-c2n[nH]cc2C[N@@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)c1 ZINC000414772177 428402028 /nfs/dbraw/zinc/40/20/28/428402028.db2.gz BGPSAIZRJGXCSZ-KGLIPLIRSA-N 2 0 316.474 2.960 20 0 DFADRP C[C@@H]([NH3+])C1CC[NH+](Cc2c[nH]nc2-c2c(F)cccc2F)CC1 ZINC000346998393 428402228 /nfs/dbraw/zinc/40/22/28/428402228.db2.gz CUPQIPWIQLROCR-LLVKDONJSA-N 2 0 320.387 2.914 20 0 DFADRP c1nn(Cc2ccccc2)cc1C[N@@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000414780645 428403515 /nfs/dbraw/zinc/40/35/15/428403515.db2.gz LUKJVLCUHONJQC-WOJBJXKFSA-N 2 0 324.472 2.753 20 0 DFADRP CCC[C@@H](CCc1ccccc1)[NH2+]CCCN1CC[NH2+]CC1 ZINC000414784299 428405886 /nfs/dbraw/zinc/40/58/86/428405886.db2.gz SELSALGPVXJXFK-IBGZPJMESA-N 2 0 303.494 2.673 20 0 DFADRP c1cn(-c2ccccc2)c(C[N@@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)n1 ZINC000414784079 428406155 /nfs/dbraw/zinc/40/61/55/428406155.db2.gz QSYRBKRXXXRLRA-DLBZAZTESA-N 2 0 310.445 2.694 20 0 DFADRP Cc1cc(Cl)ccc1C[N@@H+]1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000414781942 428406769 /nfs/dbraw/zinc/40/67/69/428406769.db2.gz NUHPXEQTHHJBAT-OAHLLOKOSA-N 2 0 308.853 2.836 20 0 DFADRP Cc1ccc([C@@H]2CCC[C@H]2[NH2+]CCCN2CC[NH2+]CC2)cc1 ZINC000414782353 428407667 /nfs/dbraw/zinc/40/76/67/428407667.db2.gz OQMYPIZNWJOJMB-RBUKOAKNSA-N 2 0 301.478 2.516 20 0 DFADRP Cc1cc(C)c(C[N@@H+]2C[C@@H](C[NH3+])C3(C2)CCOCC3)c(C)c1 ZINC000414791781 428414489 /nfs/dbraw/zinc/41/44/89/428414489.db2.gz QXNHJUGAZQIKNW-QGZVFWFLSA-N 2 0 302.462 2.799 20 0 DFADRP Cc1nn(-c2ccc(F)cc2)cc1C[NH2+][C@@H]1CCC[C@@H]1C[NH3+] ZINC000414791550 428411941 /nfs/dbraw/zinc/41/19/41/428411941.db2.gz HWVIQXNVRBCQRX-CXAGYDPISA-N 2 0 302.397 2.537 20 0 DFADRP CC[C@H](C)NC(=[NH2+])NCC1CC[NH+](CCc2ccccc2)CC1 ZINC000360604797 428366057 /nfs/dbraw/zinc/36/60/57/428366057.db2.gz QKGRTQHCLWGZTG-INIZCTEOSA-N 2 0 316.493 2.854 20 0 DFADRP CC(C)CC[NH+](CCC(C)C)C[C@H]1CCCN(C(=O)C[NH3+])C1 ZINC000414664499 428367861 /nfs/dbraw/zinc/36/78/61/428367861.db2.gz CLFLKVRBXTXZAT-QGZVFWFLSA-N 2 0 311.514 2.578 20 0 DFADRP COC(=O)[C@@H](C)CN(CC[NH2+]C(C)(C)C)Cc1ccccc1 ZINC000414673745 428369914 /nfs/dbraw/zinc/36/99/14/428369914.db2.gz JQFHMAAMCQSHBG-HNNXBMFYSA-N 2 0 306.450 2.686 20 0 DFADRP [NH3+]CCOCC[N@@H+]1CCc2sccc2[C@H]1c1cccs1 ZINC000357038502 428372190 /nfs/dbraw/zinc/37/21/90/428372190.db2.gz YZJIQSMAKPZTLX-HNNXBMFYSA-N 2 0 308.472 2.732 20 0 DFADRP Cc1cccc(NC(=O)C[N@@H+](C)C[C@H]2CC[NH2+][C@@H](C)C2)c1C ZINC000414677035 428373916 /nfs/dbraw/zinc/37/39/16/428373916.db2.gz ODPSSLKIAYICIM-HOCLYGCPSA-N 2 0 303.450 2.562 20 0 DFADRP CC1(C)Cc2cc(C[N@@H+]3C[C@@H]4CCC[C@@H]([NH3+])[C@H]4C3)ccc2O1 ZINC000414676037 428374221 /nfs/dbraw/zinc/37/42/21/428374221.db2.gz UQTZPWBAXMFDSM-BHYGNILZSA-N 2 0 300.446 2.959 20 0 DFADRP C[C@@H]1C[C@H](C[N@@H+]2CCC[C@H](C[NH+]3CCCC[C@H]3C)C2)CC[NH2+]1 ZINC000414689845 428374936 /nfs/dbraw/zinc/37/49/36/428374936.db2.gz LWFPFIMMNXYTOI-MKXGPGLRSA-N 3 0 307.526 2.961 20 0 DFADRP CC(C)C[C@@H]([NH3+])CN(C)Cc1nccn1Cc1ccccc1 ZINC000414691339 428375697 /nfs/dbraw/zinc/37/56/97/428375697.db2.gz IVFKKNSYKHWNHS-QGZVFWFLSA-N 2 0 300.450 2.737 20 0 DFADRP C[C@@H]1C[C@H](C[N@@H+]2CCC[C@H]2c2cccc3c2OCCO3)CC[NH2+]1 ZINC000414693712 428378660 /nfs/dbraw/zinc/37/86/60/428378660.db2.gz MXADPNLDBNGLCW-INMHGKMJSA-N 2 0 316.445 2.983 20 0 DFADRP C[C@@H]1C[C@H](C[N@H+](Cc2ccccc2)[C@H](CO)C2CC2)CC[NH2+]1 ZINC000414715632 428385703 /nfs/dbraw/zinc/38/57/03/428385703.db2.gz RHXUOLRORDYXDO-SZVBFZGTSA-N 2 0 302.462 2.648 20 0 DFADRP Cc1cccc(NC(=O)C[C@H](C)[NH2+]CC[C@H]2CCC[NH2+]C2)c1C ZINC000414847154 428433945 /nfs/dbraw/zinc/43/39/45/428433945.db2.gz VIMZVZJJKRNKHV-DOTOQJQBSA-N 2 0 317.477 3.000 20 0 DFADRP [NH3+]C1(C[NH2+]C2CCN(C(=O)c3ccoc3)CC2)CCCCCC1 ZINC000414856507 428435194 /nfs/dbraw/zinc/43/51/94/428435194.db2.gz AQSCKQHUQINGSI-UHFFFAOYSA-N 2 0 319.449 2.526 20 0 DFADRP C[NH2+]CCC[NH2+][C@@H](C)Cc1ccc(Br)c(F)c1 ZINC000414859011 428435731 /nfs/dbraw/zinc/43/57/31/428435731.db2.gz LTXVUDZPWDANCR-JTQLQIEISA-N 2 0 303.219 2.718 20 0 DFADRP CCOC[C@@H]([NH2+]Cc1cn(-c2cc[nH+]cc2)nc1C)C(C)C ZINC000353218108 428436968 /nfs/dbraw/zinc/43/69/68/428436968.db2.gz AZJFCCAJLMGYSU-QGZVFWFLSA-N 2 0 302.422 2.726 20 0 DFADRP C[C@H](C[NH3+])C[NH2+]Cc1cccc(Br)c1OC(F)F ZINC000414870263 428438011 /nfs/dbraw/zinc/43/80/11/428438011.db2.gz BWNLJUZPMHRYJP-MRVPVSSYSA-N 2 0 323.181 2.735 20 0 DFADRP Cc1ccc(NC(=O)C[C@H](C)N[C@H]2CCC[NH2+]C2)cc1Cl ZINC000414866478 428438730 /nfs/dbraw/zinc/43/87/30/428438730.db2.gz MZGJGBMEBWRQGO-JSGCOSHPSA-N 2 0 309.841 2.707 20 0 DFADRP C[C@@H]([NH3+])[C@@H]1CCC[N@H+](Cc2cn(C)nc2-c2cccs2)C1 ZINC000347090425 428438840 /nfs/dbraw/zinc/43/88/40/428438840.db2.gz GBYXKNZDUXDOOP-CHWSQXEVSA-N 2 0 304.463 2.708 20 0 DFADRP CC(C)(C)c1n[nH]cc1CN1C[C@@H]2C[N@@H+]3CCCC[C@H]3[C@@H]2C1 ZINC000360790844 428439995 /nfs/dbraw/zinc/43/99/95/428439995.db2.gz JUIGTCAZRWEQRQ-OAGGEKHMSA-N 2 0 302.466 2.623 20 0 DFADRP Cc1ccc(OCc2nc(CNC[C@H](C)C[NH3+])cs2)cc1 ZINC000414872941 428441048 /nfs/dbraw/zinc/44/10/48/428441048.db2.gz GSDOALSCZFMRDG-CYBMUJFWSA-N 2 0 305.447 2.715 20 0 DFADRP C[C@H](C[NH3+])C[NH2+]Cc1ccc(OC(F)F)c(Br)c1 ZINC000414878180 428441395 /nfs/dbraw/zinc/44/13/95/428441395.db2.gz NZXPXBPRIPTNGU-MRVPVSSYSA-N 2 0 323.181 2.735 20 0 DFADRP CCC[NH2+]CCN[C@@H](C)CC(=O)Nc1ccc(C)cc1Cl ZINC000414872308 428442360 /nfs/dbraw/zinc/44/23/60/428442360.db2.gz PJVDTRPQAUUEHO-ZDUSSCGKSA-N 2 0 311.857 2.955 20 0 DFADRP C[C@@H]1C[C@H](N[C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)CC[NH2+]1 ZINC000414948534 428470264 /nfs/dbraw/zinc/47/02/64/428470264.db2.gz MFYAXRYWKCDXIQ-HKUYMTLNSA-N 2 0 313.489 2.627 20 0 DFADRP C[C@H](CC(=O)N(C)Cc1ccccc1Cl)[NH2+]CC1([NH3+])CCC1 ZINC000414881807 428443571 /nfs/dbraw/zinc/44/35/71/428443571.db2.gz SUWPHMFZQYLSLU-CYBMUJFWSA-N 2 0 323.868 2.548 20 0 DFADRP CCCOc1c(Cl)cc(C[NH2+]C[C@H]2CC[NH2+]C2)cc1OC ZINC000414900151 428448635 /nfs/dbraw/zinc/44/86/35/428448635.db2.gz DHAZSUQBNVEHCO-LBPRGKRZSA-N 2 0 312.841 2.837 20 0 DFADRP C[C@H](Cc1ccc(Br)c(F)c1)[NH2+]C[C@H]1CC[NH2+]C1 ZINC000414897970 428449119 /nfs/dbraw/zinc/44/91/19/428449119.db2.gz ALIJGQPAWMBGJG-PWSUYJOCSA-N 2 0 315.230 2.718 20 0 DFADRP C[C@@H]([NH2+]CCOC(F)(F)F)c1ccc(OCC[NH+](C)C)cc1 ZINC000353251928 428450547 /nfs/dbraw/zinc/45/05/47/428450547.db2.gz RMWALUQLODOQCK-GFCCVEGCSA-N 2 0 320.355 2.814 20 0 DFADRP CC1(C[NH2+]Cc2c[nH]nc2-c2ccccc2F)CC[NH2+]CC1 ZINC000414897080 428450554 /nfs/dbraw/zinc/45/05/54/428450554.db2.gz DFBKHEQGGBVNRW-UHFFFAOYSA-N 2 0 302.397 2.695 20 0 DFADRP CC[C@H](Cc1ccc(OC)c(OC)c1)[NH2+]CC[C@H]1CCC[NH2+]1 ZINC000414901708 428450603 /nfs/dbraw/zinc/45/06/03/428450603.db2.gz GOIIYGIRZXMNTF-HZPDHXFCSA-N 2 0 306.450 2.757 20 0 DFADRP C[C@H](O)C[N@H+](C)C1CC[NH+](C[C@H]2C[C@@H]2c2ccccc2)CC1 ZINC000353254463 428451790 /nfs/dbraw/zinc/45/17/90/428451790.db2.gz NXBLRCMGZJDDCR-KVSKMBFKSA-N 2 0 302.462 2.567 20 0 DFADRP C[C@@H](CC(=O)Nc1ccc(F)cc1)[NH2+]C[C@]1(C)CCC[NH2+]C1 ZINC000414906559 428452264 /nfs/dbraw/zinc/45/22/64/428452264.db2.gz MGXNWSSVSXUQCS-SUMWQHHRSA-N 2 0 307.413 2.522 20 0 DFADRP COc1cc(C[NH+]2CCC([C@H](C)[NH3+])CC2)c(SC)cc1OC ZINC000347114513 428452401 /nfs/dbraw/zinc/45/24/01/428452401.db2.gz TXSDCETYIRMMSE-LBPRGKRZSA-N 2 0 324.490 2.985 20 0 DFADRP C[C@H]([NH3+])[C@H]1CCCN(Cc2nc3cc(Cl)ccc3n2C)C1 ZINC000347133017 428460589 /nfs/dbraw/zinc/46/05/89/428460589.db2.gz RVEDODXFQGGCPH-RYUDHWBXSA-N 2 0 306.841 2.786 20 0 DFADRP COc1ccc(OCC[N@@H+]2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)cc1 ZINC000386779048 428463677 /nfs/dbraw/zinc/46/36/77/428463677.db2.gz JCAXDUCHBRXUNA-YJBOKZPZSA-N 2 0 304.434 2.538 20 0 DFADRP C[C@@H](CC[NH+](C)C)[NH2+][C@@H](C)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000360854537 428464574 /nfs/dbraw/zinc/46/45/74/428464574.db2.gz COTQIBCGDRPBEE-STQMWFEESA-N 2 0 303.450 2.907 20 0 DFADRP C[C@@H]([NH2+][C@@H](C)CC[NH+](C)C)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000360854536 428466029 /nfs/dbraw/zinc/46/60/29/428466029.db2.gz COTQIBCGDRPBEE-QWHCGFSZSA-N 2 0 303.450 2.907 20 0 DFADRP CC[C@H](Cc1ccc(OC)c(OC)c1)[NH2+][C@@H]1CC[NH2+]C[C@H]1C ZINC000414947226 428467037 /nfs/dbraw/zinc/46/70/37/428467037.db2.gz VSWWFHDFDMHZJM-FVQBIDKESA-N 2 0 306.450 2.613 20 0 DFADRP C[C@H]1CCc2nc(CN(C)C3C[C@H]4CC[C@@H](C3)[NH2+]4)sc2C1 ZINC000347155520 428470926 /nfs/dbraw/zinc/47/09/26/428470926.db2.gz CWRGZRQIWHKPQU-ICIURTGMSA-N 2 0 305.491 2.983 20 0 DFADRP C[C@@H]1C[NH2+]CC[C@@H]1[NH2+]C1CCN(Cc2ccccc2Cl)CC1 ZINC000414949000 428469244 /nfs/dbraw/zinc/46/92/44/428469244.db2.gz ZGMXFEWYBXZTQL-KDOFPFPSSA-N 2 0 321.896 2.892 20 0 DFADRP C[C@@H]1C[C@H](N[C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]23)CC[NH2+]1 ZINC000414948539 428469633 /nfs/dbraw/zinc/46/96/33/428469633.db2.gz MFYAXRYWKCDXIQ-RACLHMPKSA-N 2 0 313.489 2.627 20 0 DFADRP CC[NH2+]CC1CC[NH+](Cc2ccc(N3CCCC3)nc2)CC1 ZINC000347034817 428415639 /nfs/dbraw/zinc/41/56/39/428415639.db2.gz CUIPRIHMJQLSIO-UHFFFAOYSA-N 2 0 302.466 2.503 20 0 DFADRP CCCOc1cc(C[NH+]2CCC(C[NH2+]C)CC2)ccc1OC ZINC000347035300 428415983 /nfs/dbraw/zinc/41/59/83/428415983.db2.gz GNMLXUVIPWVTKN-UHFFFAOYSA-N 2 0 306.450 2.915 20 0 DFADRP O=c1[nH]c2ccccc2cc1C[NH+]1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000347040189 428417704 /nfs/dbraw/zinc/41/77/04/428417704.db2.gz HQTQLTBYQYQTBU-QGZVFWFLSA-N 2 0 311.429 2.904 20 0 DFADRP C[C@@H]([NH3+])CC[NH2+]Cc1c[nH]nc1-c1ccc(C(F)(F)F)cc1 ZINC000414826474 428423785 /nfs/dbraw/zinc/42/37/85/428423785.db2.gz VZUXVTFARKHLDW-SNVBAGLBSA-N 2 0 312.339 2.922 20 0 DFADRP COc1cc(OC)c(OC)cc1CNC[C@@H]([NH3+])c1ccccc1 ZINC000414835278 428427103 /nfs/dbraw/zinc/42/71/03/428427103.db2.gz RJXWGPOTFYHWNH-OAHLLOKOSA-N 2 0 316.401 2.502 20 0 DFADRP Cn1cc(-c2ccc(C[NH2+]CC[C@@H]3CCC[NH2+]C3)s2)cn1 ZINC000414832639 428427654 /nfs/dbraw/zinc/42/76/54/428427654.db2.gz FIRRQEWYFNGBSE-ZDUSSCGKSA-N 2 0 304.463 2.628 20 0 DFADRP Cc1nn(-c2ccccn2)c(C)c1CNC[C@@H]([NH3+])c1ccccc1 ZINC000414835878 428428250 /nfs/dbraw/zinc/42/82/50/428428250.db2.gz SABSQAMBRLXMHU-GOSISDBHSA-N 2 0 321.428 2.674 20 0 DFADRP Fc1ccc(Br)c(F)c1C[NH2+]CC[C@@H]1CC[NH2+]C1 ZINC000414842984 428429438 /nfs/dbraw/zinc/42/94/38/428429438.db2.gz ZYQJPKWXACRYGC-VIFPVBQESA-N 2 0 319.193 2.817 20 0 DFADRP Cn1cc(C[NH2+]CC[C@@H]2CCC[NH2+]C2)c(C2CCCCC2)n1 ZINC000414838137 428430472 /nfs/dbraw/zinc/43/04/72/428430472.db2.gz KWWVVNUYGJWVKT-HNNXBMFYSA-N 2 0 304.482 2.947 20 0 DFADRP Fc1ccc(C[NH2+]CC[C@H]2CC[NH2+]C2)cc1Br ZINC000414840955 428430580 /nfs/dbraw/zinc/43/05/80/428430580.db2.gz XMIIHBJMAMIXQO-SNVBAGLBSA-N 2 0 301.203 2.677 20 0 DFADRP c1ccc(CN2CCC([NH2+]CC[C@@H]3CCC[NH2+]C3)CC2)cc1 ZINC000414840229 428430717 /nfs/dbraw/zinc/43/07/17/428430717.db2.gz MURBSBIUHGSUMC-KRWDZBQOSA-N 2 0 301.478 2.630 20 0 DFADRP COc1c(Br)cccc1C[NH2+]CC[C@H]1CC[NH2+]C1 ZINC000414837088 428431339 /nfs/dbraw/zinc/43/13/39/428431339.db2.gz UDGYOCGSZXHTIA-LLVKDONJSA-N 2 0 313.239 2.547 20 0 DFADRP CCOc1c(OC)cc(C[NH2+]CC[C@@H]2CCC[NH2+]C2)cc1OC ZINC000414852847 428431831 /nfs/dbraw/zinc/43/18/31/428431831.db2.gz QRHVHJQALLNHRR-AWEZNQCLSA-N 2 0 322.449 2.582 20 0 DFADRP COc1cc(C[NH2+][C@H](C)[C@@H]2CCC[NH2+]C2)ccc1OC(F)F ZINC000414846233 428432424 /nfs/dbraw/zinc/43/24/24/428432424.db2.gz DVDIESSDBMYAQA-DGCLKSJQSA-N 2 0 314.376 2.774 20 0 DFADRP Clc1ccc(C[NH+]2CCC(NC[C@@H]3CCC[NH2+]3)CC2)cc1 ZINC000414851020 428432637 /nfs/dbraw/zinc/43/26/37/428432637.db2.gz STHBWCKLQNIADJ-KRWDZBQOSA-N 2 0 307.869 2.646 20 0 DFADRP C[C@@H]1CN(Cc2ccccc2)C[C@@H]1[NH2+]CCC[C@@H]1CCC[NH2+]1 ZINC000414978713 428479837 /nfs/dbraw/zinc/47/98/37/428479837.db2.gz UJICGPVMGLLVMT-NEWSRXKRSA-N 2 0 301.478 2.629 20 0 DFADRP COCC1(C[NH2+][C@H]2CCC[C@H](C(F)(F)F)C2)CC[NH2+]CC1 ZINC000414980660 428480996 /nfs/dbraw/zinc/48/09/96/428480996.db2.gz WGRQBAOPNOMUNQ-STQMWFEESA-N 2 0 308.388 2.713 20 0 DFADRP C[C@H](c1ccccc1)N1CC[C@H]([NH2+]C[C@@H]2CCC[C@@H]([NH3+])C2)C1 ZINC000414996636 428481393 /nfs/dbraw/zinc/48/13/93/428481393.db2.gz GNMSYEKUUSLQDI-RWQQGDIJSA-N 2 0 301.478 2.929 20 0 DFADRP C[C@@H](CCCNC(=O)OC(C)(C)C)[NH2+]CC1=CC[N@H+](C)CC1 ZINC000392185009 428481631 /nfs/dbraw/zinc/48/16/31/428481631.db2.gz CNNXKAYETMKWTR-AWEZNQCLSA-N 2 0 311.470 2.531 20 0 DFADRP [NH3+][C@H]1CCC[C@H](C[NH2+]Cc2c[nH]nc2-c2ccc(F)cc2)C1 ZINC000414989529 428482445 /nfs/dbraw/zinc/48/24/45/428482445.db2.gz HJSHOQYMWSCPEZ-LRDDRELGSA-N 2 0 302.397 2.823 20 0 DFADRP Cc1nn(Cc2ccccc2)c(C)c1C[N@@H+]1CCC[C@H](C[NH3+])C1 ZINC000347186311 428486730 /nfs/dbraw/zinc/48/67/30/428486730.db2.gz ZYKGFTRZFCBUJO-GOSISDBHSA-N 2 0 312.461 2.719 20 0 DFADRP CCC[C@H]([NH2+]C[C@@H](O)CN1C[C@@H](C)O[C@@H](C)C1)c1ccccc1 ZINC000353329998 428487522 /nfs/dbraw/zinc/48/75/22/428487522.db2.gz JBEQHKRFWBCTOO-JFRXWTBNSA-N 2 0 320.477 2.588 20 0 DFADRP C[C@H](CCCC[NH3+])[NH2+]Cc1ccc(OC[C@@H]2CCCO2)cc1 ZINC000415017234 428489988 /nfs/dbraw/zinc/48/99/88/428489988.db2.gz RQXAIESRTJUULK-QAPCUYQASA-N 2 0 306.450 2.852 20 0 DFADRP COc1ccc([C@@H](C)C[NH+]2CCC([N@H+](C)C[C@@H](C)O)CC2)cc1 ZINC000342919314 428490476 /nfs/dbraw/zinc/49/04/76/428490476.db2.gz UCDJGASLHKXKLE-JKSUJKDBSA-N 2 0 320.477 2.576 20 0 DFADRP CCN(CC)c1ncc(C[NH2+]C[C@H]2CC[C@H](C[NH3+])CC2)s1 ZINC000415019184 428491288 /nfs/dbraw/zinc/49/12/88/428491288.db2.gz DLFSWIBHBMQRPW-HDJSIYSDSA-N 2 0 310.511 2.844 20 0 DFADRP C[C@H](CCCC[NH3+])[NH2+]Cc1cccc(O)c1Br ZINC000415020874 428491441 /nfs/dbraw/zinc/49/14/41/428491441.db2.gz XZPWBRVLUHZYHR-SNVBAGLBSA-N 2 0 301.228 2.762 20 0 DFADRP C[C@@H]1CN(Cc2ccccc2)C[C@@H]1[NH2+]C[C@H]1CC[C@H](C[NH3+])CC1 ZINC000415023715 428491878 /nfs/dbraw/zinc/49/18/78/428491878.db2.gz LSSPFJXKYCLFMP-MLYOOKFZSA-N 2 0 315.505 2.862 20 0 DFADRP CC(C)(C)CC(=O)N1CCC([NH2+]C[C@H]2CC[C@H](C[NH3+])CC2)CC1 ZINC000415027207 428492313 /nfs/dbraw/zinc/49/23/13/428492313.db2.gz VYAWQQDFOLFZDY-WKILWMFISA-N 2 0 323.525 2.768 20 0 DFADRP COc1sc(C[NH2+][C@@H]2CC[C@H](C[NH3+])C2)cc1Br ZINC000415027730 428493507 /nfs/dbraw/zinc/49/35/07/428493507.db2.gz BKNIFKDSEUZYEO-DTWKUNHWSA-N 2 0 319.268 2.736 20 0 DFADRP c1ccc(CC(Cc2ccccc2)[NH2+]C[C@H]2C[NH2+]CCCO2)cc1 ZINC000415031369 428494230 /nfs/dbraw/zinc/49/42/30/428494230.db2.gz DWCNTLLLSKVVPD-OAQYLSRUSA-N 2 0 324.468 2.809 20 0 DFADRP C[C@H]1CC[N@H+](Cc2c[nH]nc2-c2ccc(F)cc2)C[C@H]1C[NH3+] ZINC000415129308 428531234 /nfs/dbraw/zinc/53/12/34/428531234.db2.gz PEKSFAKZPRKCJT-GXTWGEPZSA-N 2 0 302.397 2.633 20 0 DFADRP CCc1nn(C)c(CC)c1C[N@@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000415037623 428495409 /nfs/dbraw/zinc/49/54/09/428495409.db2.gz GWIYWSBUUGKYPW-RDTXWAMCSA-N 2 0 304.482 2.509 20 0 DFADRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H](C)C[C@H]2CCCO2)[C@@H](C)C1 ZINC000360932123 428495719 /nfs/dbraw/zinc/49/57/19/428495719.db2.gz YOSUTUSVOIKUKG-MLHJIOFPSA-N 2 0 312.498 2.671 20 0 DFADRP c1cnn(-c2ccc(C[N@@H+]3CCCC[C@H]3[C@@H]3CC[NH2+]C3)cc2)c1 ZINC000415037626 428496679 /nfs/dbraw/zinc/49/66/79/428496679.db2.gz GWOYIIYFQSLYQP-MJGOQNOKSA-N 2 0 310.445 2.836 20 0 DFADRP CC(C)[N@H+](C)CCN[C@@H]1CC[NH+](Cc2ccccc2)C[C@@H]1C ZINC000360933049 428496750 /nfs/dbraw/zinc/49/67/50/428496750.db2.gz IDNJGWJLJCIGHD-PKOBYXMFSA-N 2 0 303.494 2.827 20 0 DFADRP CCOc1cccc(C[NH2+][C@H]2CC[C@@H](C[NH3+])C2)c1OC(F)F ZINC000415040729 428497590 /nfs/dbraw/zinc/49/75/90/428497590.db2.gz PFLQZVCLXLCTBF-YPMHNXCESA-N 2 0 314.376 2.904 20 0 DFADRP C[N@H+](Cc1ccccc1)CC(C)(C)C[NH2+][C@H]1CC[C@@H](C[NH3+])C1 ZINC000415045958 428497614 /nfs/dbraw/zinc/49/76/14/428497614.db2.gz URSOSPNTVWTUSR-MSOLQXFVSA-N 3 0 303.494 2.862 20 0 DFADRP CC[C@@H]([NH2+][C@H](CC(C)C)C(=O)NCC[NH+](C)C)c1ccccc1 ZINC000347217639 428497756 /nfs/dbraw/zinc/49/77/56/428497756.db2.gz AJFKQIFLURLHTI-QZTJIDSGSA-N 2 0 319.493 2.820 20 0 DFADRP C[C@@H](CCCC(F)(F)F)[NH2+]C1CCC([NH+]2CCNCC2)CC1 ZINC000415044206 428498125 /nfs/dbraw/zinc/49/81/25/428498125.db2.gz APSNYXUPDDNWNZ-NFOMZHRRSA-N 2 0 321.431 2.914 20 0 DFADRP COc1ccc(C2CCC([NH2+]C[C@@H]3C[NH2+]CCCO3)CC2)cc1 ZINC000415042638 428498576 /nfs/dbraw/zinc/49/85/76/428498576.db2.gz QTXHVCKQAIIOOY-KVWWFHCMSA-N 2 0 318.461 2.690 20 0 DFADRP COc1ccc(-c2ccncc2)cc1C[NH2+][C@H]1CC[C@@H](C[NH3+])C1 ZINC000415041061 428498819 /nfs/dbraw/zinc/49/88/19/428498819.db2.gz PMTNMSGLWUZION-KDOFPFPSSA-N 2 0 311.429 2.974 20 0 DFADRP COc1ccc(C[C@@H](C)[N@@H+]2C[C@@H](C)[C@](C)(C[NH3+])C2)cc1OC ZINC000415052626 428500683 /nfs/dbraw/zinc/50/06/83/428500683.db2.gz ILDKOLOPQGGWQG-HBUWYVDXSA-N 2 0 306.450 2.552 20 0 DFADRP O=c1[nH]c2ccccc2cc1C[N@@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000415053656 428500804 /nfs/dbraw/zinc/50/08/04/428500804.db2.gz OZCYIRZPEAMJJY-MAUKXSAKSA-N 2 0 311.429 2.904 20 0 DFADRP [NH3+][C@@H]1CCCO[C@H]1C1CC[NH+](Cc2ccc(F)c(F)c2)CC1 ZINC000415129385 428531369 /nfs/dbraw/zinc/53/13/69/428531369.db2.gz PIIDBFYJZZWUDT-SJORKVTESA-N 2 0 310.388 2.683 20 0 DFADRP COc1ccc(-c2n[nH]cc2C[N@@H+]2C[C@@H](C)[C@](C)(C[NH3+])C2)cc1 ZINC000415056097 428502434 /nfs/dbraw/zinc/50/24/34/428502434.db2.gz PRDSPTKPVSZGJM-FZKQIMNGSA-N 2 0 314.433 2.502 20 0 DFADRP [NH3+]C[C@@H]1CCC[N@H+](Cc2ccccc2OCC(F)(F)F)C1 ZINC000347234651 428504994 /nfs/dbraw/zinc/50/49/94/428504994.db2.gz ZUCUTBLGOXJRQB-LBPRGKRZSA-N 2 0 302.340 2.798 20 0 DFADRP Cc1[nH]nc2ncc(C[NH2+][C@@H](CCC[NH3+])c3ccccc3)cc12 ZINC000415061555 428506078 /nfs/dbraw/zinc/50/60/78/428506078.db2.gz YMCDPTONIOEGSC-KRWDZBQOSA-N 2 0 309.417 2.836 20 0 DFADRP CC1CC[NH+](CCCNCc2cn(C)nc2C(F)F)CC1 ZINC000360956672 428507845 /nfs/dbraw/zinc/50/78/45/428507845.db2.gz VQCYYGVQBIQLJX-UHFFFAOYSA-N 2 0 300.397 2.569 20 0 DFADRP Cc1ccc(NC(=O)C[C@@H](C)[NH2+]CCC[NH2+]C2CC2)c(C)c1 ZINC000415067922 428508637 /nfs/dbraw/zinc/50/86/37/428508637.db2.gz LQJZMDZWVHDAFQ-OAHLLOKOSA-N 2 0 303.450 2.752 20 0 DFADRP CC1CC[NH+]([C@H](CN[C@@H]2CCC[NH2+]C2)c2cccs2)CC1 ZINC000415074903 428508903 /nfs/dbraw/zinc/50/89/03/428508903.db2.gz AYWBFNBJAYSYEH-HZPDHXFCSA-N 2 0 307.507 2.863 20 0 DFADRP C[C@@H]([NH2+]CC1(c2ccccc2Cl)CCOCC1)[C@@H]1CC[NH2+]C1 ZINC000415074948 428510375 /nfs/dbraw/zinc/51/03/75/428510375.db2.gz DCRMSGHTCIEMAA-HUUCEWRRSA-N 2 0 322.880 2.976 20 0 DFADRP C[C@H]1CC[N@H+](Cc2ccc(Oc3cnccn3)cc2)C[C@@H]1C[NH3+] ZINC000415128901 428531686 /nfs/dbraw/zinc/53/16/86/428531686.db2.gz OQUHVEVEYUDIKL-HOCLYGCPSA-N 2 0 312.417 2.686 20 0 DFADRP C[C@H](C[C@H]1CCC[NH2+]1)[NH2+]C1CCN([C@H](C)c2ccncc2)CC1 ZINC000415079167 428513243 /nfs/dbraw/zinc/51/32/43/428513243.db2.gz HSASFWCMPXOWOD-GPMSIDNRSA-N 3 0 316.493 2.727 20 0 DFADRP C[C@@H]([NH2+]Cc1ccc(N2CCCCCC2)nc1)[C@@H]1CC[NH2+]C1 ZINC000415081203 428513655 /nfs/dbraw/zinc/51/36/55/428513655.db2.gz KBDBJEAUSKLUML-NVXWUHKLSA-N 2 0 302.466 2.550 20 0 DFADRP C[C@@H]1C[C@H](C[NH2+][C@@H]2CCO[C@@H]2c2ccc(F)c(F)c2)CC[NH2+]1 ZINC000415085602 428514550 /nfs/dbraw/zinc/51/45/50/428514550.db2.gz ILFFRMZADBSQDU-YLGOIMDESA-N 2 0 310.388 2.773 20 0 DFADRP Brc1ccc([C@@H]2CCC[N@@H+]2CC2CC[NH2+]CC2)nc1 ZINC000415091145 428515114 /nfs/dbraw/zinc/51/51/14/428515114.db2.gz BTCLTFLECBJRIO-HNNXBMFYSA-N 2 0 324.266 2.981 20 0 DFADRP COc1ccc(C(C)(C)C[NH2+][C@H]2CCC[NH2+]CC2)cc1OC ZINC000415087265 428515433 /nfs/dbraw/zinc/51/54/33/428515433.db2.gz VTUQHMATZBXCGJ-HNNXBMFYSA-N 2 0 306.450 2.713 20 0 DFADRP COCc1cc(C[NH2+][C@@H]2CC[N@H+](C)[C@@H]3CCC[C@H]32)ccc1F ZINC000353386187 428515470 /nfs/dbraw/zinc/51/54/70/428515470.db2.gz LPVFAOHKCFETMI-CGTJXYLNSA-N 2 0 306.425 2.935 20 0 DFADRP C[C@H](c1ccncc1)N1CCC([NH2+]C2CCC(C[NH3+])CC2)CC1 ZINC000415085537 428516668 /nfs/dbraw/zinc/51/66/68/428516668.db2.gz QUAJOAWRULRKAP-KLHKWILBSA-N 2 0 316.493 2.714 20 0 DFADRP CC(=O)Nc1cccc(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)c1 ZINC000415084978 428517089 /nfs/dbraw/zinc/51/70/89/428517089.db2.gz PJRAWODWGCBETD-KZNAEPCWSA-N 2 0 301.434 2.655 20 0 DFADRP C[N@H+](C[C@H]1CC12CC[NH+](CCO[C@H]1CCCCO1)CC2)C1CC1 ZINC000373118329 428517422 /nfs/dbraw/zinc/51/74/22/428517422.db2.gz QFGURDSYMZFUPI-AEFFLSMTSA-N 2 0 322.493 2.726 20 0 DFADRP Cc1nn(-c2ccccc2)c(C)c1C[N@H+]1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000415100792 428517720 /nfs/dbraw/zinc/51/77/20/428517720.db2.gz ALCJSAKGDVJFFN-WMLDXEAASA-N 2 0 312.461 2.906 20 0 DFADRP COc1ccc(-c2n[nH]cc2C[N@@H+]2CC[C@H](C)[C@@H](C[NH3+])C2)cc1 ZINC000415100918 428519655 /nfs/dbraw/zinc/51/96/55/428519655.db2.gz AUJOYUJRZUCUGT-ZFWWWQNUSA-N 2 0 314.433 2.502 20 0 DFADRP COc1cc(C[N@@H+]2CC[C@H](C)[C@H](C[NH3+])C2)ccc1OC(C)C ZINC000415102000 428522474 /nfs/dbraw/zinc/52/24/74/428522474.db2.gz CANJJVSOIXCION-GOEBONIOSA-N 2 0 306.450 2.899 20 0 DFADRP C[C@@H]1CCCC[N@@H+]1Cc1ccccc1C[NH2+]C1CC[NH2+]CC1 ZINC000415114304 428525112 /nfs/dbraw/zinc/52/51/12/428525112.db2.gz FTURYPXRQFSQBT-MRXNPFEDSA-N 2 0 301.478 2.903 20 0 DFADRP CCOc1ccc(C[NH+]2CCC([C@H]3C[C@@H]([NH3+])CCO3)CC2)cc1 ZINC000415121255 428525680 /nfs/dbraw/zinc/52/56/80/428525680.db2.gz HWDZWBSNPBZWLL-PKOBYXMFSA-N 2 0 318.461 2.804 20 0 DFADRP C[C@H]1C[C@@H](C[NH2+]CCc2nc(-c3ccccn3)cs2)CC[NH2+]1 ZINC000415119171 428527206 /nfs/dbraw/zinc/52/72/06/428527206.db2.gz XCFQSSNGHGJTFH-KBPBESRZSA-N 2 0 316.474 2.725 20 0 DFADRP C[C@@H](Cc1ccccc1Br)[NH2+]CC1CC[NH2+]CC1 ZINC000415123237 428529455 /nfs/dbraw/zinc/52/94/55/428529455.db2.gz PIMIBQDRRHDTAS-LBPRGKRZSA-N 2 0 311.267 2.969 20 0 DFADRP C[C@H]1C[C@@H]([NH2+]Cc2cccc(OCC(F)(F)F)c2)CC[NH2+]1 ZINC000414958455 428472067 /nfs/dbraw/zinc/47/20/67/428472067.db2.gz WTBDARMCWMFFDP-AAEUAGOBSA-N 2 0 302.340 2.858 20 0 DFADRP c1ccc([C@@H]2C[C@H](NC[C@@H]3[NH2+]CCc4ccccc43)CC[NH2+]2)cc1 ZINC000414960671 428472737 /nfs/dbraw/zinc/47/27/37/428472737.db2.gz UKJORSXQDSDYDL-GIVPXCGWSA-N 2 0 321.468 2.956 20 0 DFADRP c1ccc([C@@H]2C[C@@H](NC[C@H]3[NH2+]CCc4ccccc43)CC[NH2+]2)cc1 ZINC000414960682 428472952 /nfs/dbraw/zinc/47/29/52/428472952.db2.gz UKJORSXQDSDYDL-SESVDKBCSA-N 2 0 321.468 2.956 20 0 DFADRP C[C@H]1C[NH2+]CC[C@H]1[NH2+]Cc1c[nH]nc1-c1ccc(Cl)cc1 ZINC000414963678 428476385 /nfs/dbraw/zinc/47/63/85/428476385.db2.gz ULCLYRJJTDEKQD-XHDPSFHLSA-N 2 0 304.825 2.818 20 0 DFADRP COCC1(C[NH2+]Cc2cccc(Cl)c2F)CC[NH2+]CC1 ZINC000414975363 428476950 /nfs/dbraw/zinc/47/69/50/428476950.db2.gz NYRIHKHZZUBLAO-UHFFFAOYSA-N 2 0 300.805 2.585 20 0 DFADRP Clc1ccc(C[NH2+]CCC[C@H]2CCC[NH2+]2)c(-n2cncn2)c1 ZINC000414970333 428477568 /nfs/dbraw/zinc/47/75/68/428477568.db2.gz URTVUWWFULLQRY-HNNXBMFYSA-N 2 0 319.840 2.543 20 0 DFADRP CCOc1c(C[NH2+]CCC[C@H]2CCC[NH2+]2)c(C)nn1CC(C)C ZINC000414975495 428478649 /nfs/dbraw/zinc/47/86/49/428478649.db2.gz OQKJAMOPEZCLQP-INIZCTEOSA-N 2 0 322.497 2.868 20 0 DFADRP Cc1ccccc1NC(=O)C[C@@H](C)[NH2+]CCC[C@H]1CCC[NH2+]1 ZINC000414977733 428478866 /nfs/dbraw/zinc/47/88/66/428478866.db2.gz RQIWETAEILOAOJ-CVEARBPZSA-N 2 0 303.450 2.834 20 0 DFADRP C[C@@H]1CCC[C@@H]([NH+]2CCC([NH2+]C3CCC(C(N)=O)CC3)CC2)C1 ZINC000358185315 428587459 /nfs/dbraw/zinc/58/74/59/428587459.db2.gz YHKLISFTWMQEJC-YHOLWWCESA-N 2 0 321.509 2.663 20 0 DFADRP Cn1ccc(C[NH2+]Cc2ccc(OCC[NH+]3CCCC3)cc2)c1 ZINC000343186109 428535354 /nfs/dbraw/zinc/53/53/54/428535354.db2.gz MQBGYTNGRAWOIY-UHFFFAOYSA-N 2 0 313.445 2.790 20 0 DFADRP C[C@@H]1CC[C@H](N[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)C[NH2+]1 ZINC000399060378 428535790 /nfs/dbraw/zinc/53/57/90/428535790.db2.gz LKNDLILOMVFGQQ-JFRXWTBNSA-N 2 0 301.478 2.770 20 0 DFADRP Fc1c(Cl)cccc1C[N@@H+]1CC2(CC[NH2+]CC2)[C@@H]2COC[C@@H]21 ZINC000415146957 428537326 /nfs/dbraw/zinc/53/73/26/428537326.db2.gz ZUBDCHCWJZSJQL-HIFRSBDPSA-N 2 0 324.827 2.680 20 0 DFADRP COCCSCCC[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000373292752 428539451 /nfs/dbraw/zinc/53/94/51/428539451.db2.gz KQHVRGKWNSWMRF-MRXNPFEDSA-N 2 0 300.512 2.564 20 0 DFADRP CCCC[N@H+](C)CC1CCN(C(=O)[C@H](C(C)C)[C@H](C)[NH3+])CC1 ZINC000399492395 428540080 /nfs/dbraw/zinc/54/00/80/428540080.db2.gz AXJDBYNNBMUAEM-DOTOQJQBSA-N 2 0 311.514 2.576 20 0 DFADRP C[C@H](NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)[C@@H]1CCC[NH2+]1 ZINC000400349925 428542572 /nfs/dbraw/zinc/54/25/72/428542572.db2.gz MDZJGNRLVGRMSP-VNVJMFPYSA-N 2 0 313.489 2.912 20 0 DFADRP C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)CC[C@H]1CCCC[N@@H+]1C ZINC000353452036 428542849 /nfs/dbraw/zinc/54/28/49/428542849.db2.gz WAMAHOIKLOUCNR-BRWVUGGUSA-N 2 0 309.498 2.630 20 0 DFADRP CC(C)[C@H](C[N@H+](C)Cc1ccccc1)N[C@@H](C)[C@H]1CCC[NH2+]1 ZINC000400454638 428546073 /nfs/dbraw/zinc/54/60/73/428546073.db2.gz RZRALHZIDPUAQX-UHOSZYNNSA-N 2 0 303.494 2.873 20 0 DFADRP C[C@H](N[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1)[C@H]1CC[NH2+]C1 ZINC000400757510 428548434 /nfs/dbraw/zinc/54/84/34/428548434.db2.gz XKNSUWLPXPQQIJ-PBWTXFEYSA-N 3 0 301.478 2.627 20 0 DFADRP C[C@@H](N[C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1)[C@H]1CCC[NH2+]1 ZINC000400758909 428548700 /nfs/dbraw/zinc/54/87/00/428548700.db2.gz XRYILYJTMLCWTA-OGWHTMIXSA-N 2 0 301.478 2.627 20 0 DFADRP C[C@H](C[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1)COCc1ccccc1 ZINC000401103357 428550183 /nfs/dbraw/zinc/55/01/83/428550183.db2.gz DPASNSDDCZLFEL-NXWXRZEISA-N 2 0 302.462 2.817 20 0 DFADRP c1ccc(CN2CCC[C@@H]2C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC000400961486 428551640 /nfs/dbraw/zinc/55/16/40/428551640.db2.gz GCKJGSBCHYYNIG-VNTMZGSJSA-N 3 0 313.489 2.629 20 0 DFADRP Brc1csc(C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000400999665 428552171 /nfs/dbraw/zinc/55/21/71/428552171.db2.gz GGUQHBCLKIDRLW-JFGNBEQYSA-N 2 0 315.280 2.988 20 0 DFADRP Cc1cncc(CC[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)n1 ZINC000402798253 428561304 /nfs/dbraw/zinc/56/13/04/428561304.db2.gz ODHRTCSSYCHMLD-OXJNMPFZSA-N 2 0 324.472 2.828 20 0 DFADRP C[C@H](CNC(=O)[C@@H](C)[NH+]1CCCCCC1)[N@@H+]1CCCC[C@@H]1C ZINC000357774836 428563304 /nfs/dbraw/zinc/56/33/04/428563304.db2.gz ZNGLYXQOMDMWHX-GVDBMIGSSA-N 2 0 309.498 2.630 20 0 DFADRP C[C@@H](C(=O)NCC(C)(C)[N@@H+]1CCC[C@@H](C)C1)[NH+]1CCCCCC1 ZINC000357812975 428564827 /nfs/dbraw/zinc/56/48/27/428564827.db2.gz VEBSDJSVIWGFGW-SJORKVTESA-N 2 0 323.525 2.878 20 0 DFADRP C[C@@H]1[C@H](C)[N@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)CCCC[NH3+] ZINC000404314479 428566002 /nfs/dbraw/zinc/56/60/02/428566002.db2.gz NIDKIBFBUZFMOJ-YESZJQIVSA-N 2 0 317.477 2.625 20 0 DFADRP CC(C)[NH+](C/C=C/C[N@@H+](C(C)C)[C@H]1CCOC1)[C@@H]1CCOC1 ZINC000361409248 428566088 /nfs/dbraw/zinc/56/60/88/428566088.db2.gz UIQMLPWCKRSOLS-FBLDJFESSA-N 2 0 310.482 2.541 20 0 DFADRP CCC[C@@H]([NH2+]C(C)C)C(=O)NC[C@@H](C)[N@H+](C)Cc1ccccc1 ZINC000353501362 428568721 /nfs/dbraw/zinc/56/87/21/428568721.db2.gz MOQYKKQJGKLAGK-SJLPKXTDSA-N 2 0 319.493 2.790 20 0 DFADRP COc1cc(C[N@@H+]2CCC[C@H](C)[C@@H]2CC[NH3+])cc(OC)c1OC ZINC000404453842 428571557 /nfs/dbraw/zinc/57/15/57/428571557.db2.gz ZZHFAHSFIPWKDR-ZFWWWQNUSA-N 2 0 322.449 2.662 20 0 DFADRP CCOc1cccc(C[NH+]2CCC(OCC[NH+](C)C)CC2)c1 ZINC000353516342 428572984 /nfs/dbraw/zinc/57/29/84/428572984.db2.gz GSMWCBVMZGCTFI-UHFFFAOYSA-N 2 0 306.450 2.628 20 0 DFADRP C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)C[C@@H]2CCC[NH2+]CC2)C1 ZINC000373517283 428596554 /nfs/dbraw/zinc/59/65/54/428596554.db2.gz SVXSWBVGOSUBDV-KZNAEPCWSA-N 2 0 323.525 2.641 20 0 DFADRP CC(C)C[C@@](C)(C[NH3+])NC(=O)Nc1ccccc1CC[NH+](C)C ZINC000415559843 428596899 /nfs/dbraw/zinc/59/68/99/428596899.db2.gz FHVICSJGESBSNG-SFHVURJKSA-N 2 0 320.481 2.676 20 0 DFADRP COCCC(C)(C)C[NH2+][C@@H]1CC[N@H+](C[C@H]2CCCO2)C[C@H]1C ZINC000373528793 428597785 /nfs/dbraw/zinc/59/77/85/428597785.db2.gz JSZMJGXXXTWURL-BRWVUGGUSA-N 2 0 312.498 2.528 20 0 DFADRP CC(C)[C@H]([NH3+])CCN(C)C(=O)Nc1ccccc1CC[NH+](C)C ZINC000415584395 428598495 /nfs/dbraw/zinc/59/84/95/428598495.db2.gz WMSUEXRLTXDXGI-MRXNPFEDSA-N 2 0 320.481 2.628 20 0 DFADRP C[C@H](CCC(F)(F)F)[NH2+]Cc1ccncc1OCC[NH+](C)C ZINC000343974320 428599516 /nfs/dbraw/zinc/59/95/16/428599516.db2.gz GBCKAQOYAWONPU-GFCCVEGCSA-N 2 0 319.371 2.843 20 0 DFADRP Cc1ccc(C[C@@H]([NH2+]CC2(O)CC[NH+](C)CC2)C(C)C)cc1 ZINC000361888995 428603719 /nfs/dbraw/zinc/60/37/19/428603719.db2.gz NERLFLLTUHTLNK-GOSISDBHSA-N 2 0 304.478 2.608 20 0 DFADRP c1cc(CCC[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)cc2c1OCC2 ZINC000373603313 428618740 /nfs/dbraw/zinc/61/87/40/428618740.db2.gz IUVMYYYWWNXFRJ-ZWKOTPCHSA-N 2 0 300.446 2.771 20 0 DFADRP CC[NH2+]Cc1ccccc1NC(=O)N[C@H]1C[N@@H+](C(C)C)C[C@@H]1C ZINC000415952859 428634563 /nfs/dbraw/zinc/63/45/63/428634563.db2.gz KNGKBODDJGARQY-YOEHRIQHSA-N 2 0 318.465 2.646 20 0 DFADRP CCCC[N@H+](C)C[C@H](C)NC(=O)Nc1ccccc1C[NH2+]C ZINC000415907064 428621761 /nfs/dbraw/zinc/62/17/61/428621761.db2.gz ZNTVYPLPXCSGGX-AWEZNQCLSA-N 2 0 306.454 2.648 20 0 DFADRP Cc1cc(NC(=O)N2CCC[N@@H+](C3CCCC3)CC2)c(C)cn1 ZINC000362107103 428624058 /nfs/dbraw/zinc/62/40/58/428624058.db2.gz TVSJHBLQTONYKS-UHFFFAOYSA-N 2 0 316.449 2.603 20 0 DFADRP C[NH2+]Cc1cccc(NC(=O)NCC[N@H+]2[C@H](C)CCC[C@@H]2C)c1 ZINC000415915292 428625450 /nfs/dbraw/zinc/62/54/50/428625450.db2.gz DRJODGVINTUQKS-GASCZTMLSA-N 2 0 318.465 2.790 20 0 DFADRP C[N@@H+]1CC[C@H]([NH2+]Cc2ccccc2-n2cccn2)[C@H]2CCC[C@@H]21 ZINC000353622604 428625741 /nfs/dbraw/zinc/62/57/41/428625741.db2.gz OLUSSWDDFOWAGK-AOIWGVFYSA-N 2 0 310.445 2.835 20 0 DFADRP CCOC[C@@H]1CCC[C@@H]1[NH2+]CC1(SC)CC[NH+](C)CC1 ZINC000353627353 428628087 /nfs/dbraw/zinc/62/80/87/428628087.db2.gz VNSIRPFLRHBDSR-GJZGRUSLSA-N 2 0 300.512 2.609 20 0 DFADRP C[C@H]([NH2+][C@@H]1CCc2nc[nH]c2C1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000353623176 428628122 /nfs/dbraw/zinc/62/81/22/428628122.db2.gz ODPVZIIVHPPAAA-RYQLBKOJSA-N 2 0 324.472 2.767 20 0 DFADRP C[NH2+]Cc1cccc(NC(=O)NC(C)(C)CCC[NH+](C)C)c1 ZINC000415928432 428628701 /nfs/dbraw/zinc/62/87/01/428628701.db2.gz HOUNMZDXCBWMRE-UHFFFAOYSA-N 2 0 306.454 2.648 20 0 DFADRP CC[NH2+]Cc1cccc(NC(=O)N[C@H](C)C[N@H+](C)C(C)C)c1 ZINC000415929332 428628986 /nfs/dbraw/zinc/62/89/86/428628986.db2.gz GTZTUVFKKBBGQM-CQSZACIVSA-N 2 0 306.454 2.646 20 0 DFADRP CC[NH2+]Cc1cccc(NC(=O)N2CC[NH+]([C@H](C)CC)CC2)c1 ZINC000415930335 428631143 /nfs/dbraw/zinc/63/11/43/428631143.db2.gz INVPFVYBUDPIFB-OAHLLOKOSA-N 2 0 318.465 2.744 20 0 DFADRP CC[N@@H+]1CC[C@H](N(C)C(=O)Nc2ccc(C[NH2+]C)cc2)C[C@@H]1C ZINC000415971765 428637030 /nfs/dbraw/zinc/63/70/30/428637030.db2.gz KQANMKNJRKXIJT-YOEHRIQHSA-N 2 0 318.465 2.743 20 0 DFADRP C[C@@H](CCN1CC[NH+](C)CC1)[NH2+]C1CC(c2ccccc2)C1 ZINC000186597821 274209570 /nfs/dbraw/zinc/20/95/70/274209570.db2.gz HBOVCMZZTIOHDC-IVMQYODDSA-N 2 0 301.478 2.548 20 0 DFADRP C[N@H+](Cc1ccccc1)CC(C)(C)CN1C[C@@H]2CCC[NH2+][C@@H]2C1 ZINC000353673979 428653067 /nfs/dbraw/zinc/65/30/67/428653067.db2.gz QMMCEJWYGXXZIL-RBUKOAKNSA-N 2 0 315.505 2.828 20 0 DFADRP CC[N@@H+]1CC[C@@H]([NH+](C)CCc2ccc3c(c2)CCO3)C[C@@H]1C ZINC000362184363 428653208 /nfs/dbraw/zinc/65/32/08/428653208.db2.gz IGTGUKRAZQTNOG-MAUKXSAKSA-N 2 0 302.462 2.969 20 0 DFADRP Clc1ccc(-c2n[nH]cc2CN2C[C@H]3CCC[NH2+][C@@H]3C2)cc1 ZINC000353700294 428664148 /nfs/dbraw/zinc/66/41/48/428664148.db2.gz CPLKMXNKTSEQRT-CZUORRHYSA-N 2 0 316.836 2.914 20 0 DFADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]C[C@H]1CCN(c2ccc(F)cc2)C1 ZINC000247225059 274339920 /nfs/dbraw/zinc/33/99/20/274339920.db2.gz XXQGVPXXOMALPM-NNFUDEMPSA-N 2 0 319.468 2.970 20 0 DFADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC1=CC[NH+](C)CC1 ZINC000271865933 274354495 /nfs/dbraw/zinc/35/44/95/274354495.db2.gz LLEQZWALNBWPFF-XLIONFOSSA-N 3 0 313.489 2.749 20 0 DFADRP C[C@@H]1CN(c2cc[nH+]c3ccccc32)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000367061923 274366677 /nfs/dbraw/zinc/36/66/77/274366677.db2.gz ZBAOHYOZKQYHRJ-VQIMIIECSA-N 2 0 324.472 2.697 20 0 DFADRP Clc1ccc(CC[N@@H+]2CC[C@@H](CN3CCOCC3)C2)cc1 ZINC000362305070 428696476 /nfs/dbraw/zinc/69/64/76/428696476.db2.gz KRHPPNXHFZWMGJ-MRXNPFEDSA-N 2 0 308.853 2.537 20 0 DFADRP CCC[C@H]([NH3+])C(=O)NCC[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000353753637 428696688 /nfs/dbraw/zinc/69/66/88/428696688.db2.gz MCTLREPFHZMMQJ-NXHRZFHOSA-N 2 0 317.477 2.531 20 0 DFADRP CC[NH+](CC)C[C@@H]1CCN(C(=O)[C@H](C(C)C)[NH+]2CCCCC2)C1 ZINC000362312199 428699616 /nfs/dbraw/zinc/69/96/16/428699616.db2.gz HZRDIXVNUPZHKD-ROUUACIJSA-N 2 0 323.525 2.687 20 0 DFADRP Cc1cc(F)ccc1[C@H](O)C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000374564670 428699694 /nfs/dbraw/zinc/69/96/94/428699694.db2.gz WFJYNUNHNFBENB-JCGIZDLHSA-N 2 0 306.425 2.584 20 0 DFADRP CC[N@H+](CCC1CC[NH+](CCc2cnn(C)c2)CC1)CC1CC1 ZINC000348319958 428705192 /nfs/dbraw/zinc/70/51/92/428705192.db2.gz PPKYUIUCOIDSME-UHFFFAOYSA-N 2 0 318.509 2.797 20 0 DFADRP C[NH+](C)CCN(C(=O)[C@@H](C1CC1)[NH+]1CCCC1)C1CCCCC1 ZINC000353775610 428709371 /nfs/dbraw/zinc/70/93/71/428709371.db2.gz TZZSFAOUJGVYFE-GOSISDBHSA-N 2 0 321.509 2.584 20 0 DFADRP OC[C@H](C[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccccc1Cl ZINC000348374809 428723293 /nfs/dbraw/zinc/72/32/93/428723293.db2.gz ACQFYUFBGSHKMM-RRFJBIMHSA-N 2 0 308.853 2.632 20 0 DFADRP C[N@@H+]1CC[C@H]([NH2+]Cc2ccc(C[S@](C)=O)cc2)[C@@H]2CCC[C@H]21 ZINC000353806044 428726046 /nfs/dbraw/zinc/72/60/46/428726046.db2.gz PFYZJBQVVJLGED-AYMMHLMVSA-N 2 0 320.502 2.528 20 0 DFADRP CCN1C[C@@H](C)[C@@H]([NH2+]CCC2CCN(CC(F)(F)F)CC2)C1 ZINC000344599390 428681120 /nfs/dbraw/zinc/68/11/20/428681120.db2.gz FJUNMOGRDTWWHH-HIFRSBDPSA-N 2 0 321.431 2.581 20 0 DFADRP CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)C[C@@H](c1ccccc1)[NH+](C)C ZINC000416171677 428681515 /nfs/dbraw/zinc/68/15/15/428681515.db2.gz RMRFXNSUNXOAKW-MSOLQXFVSA-N 2 0 317.477 2.622 20 0 DFADRP OC[C@@H]1CCC[N@@H+]1CCCC[NH2+]C[C@@H]1C[C@H]1c1ccccc1 ZINC000348263571 428685084 /nfs/dbraw/zinc/68/50/84/428685084.db2.gz LSARHOULRKMHSQ-FHWLQOOXSA-N 2 0 302.462 2.617 20 0 DFADRP CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)C[C@H](c2ccccc2)[NH+](C)C)C1 ZINC000416188340 428686829 /nfs/dbraw/zinc/68/68/29/428686829.db2.gz GYKWCVAPISKYBN-KBAYOESNSA-N 2 0 317.477 2.524 20 0 DFADRP C[C@H]([NH2+][C@@H]1CCO[C@H]1C1CC1)c1ccc(OCC[NH+](C)C)cc1 ZINC000374497745 428686908 /nfs/dbraw/zinc/68/69/08/428686908.db2.gz RUFATZVCNMPUNC-KYNGSXCRSA-N 2 0 318.461 2.845 20 0 DFADRP CC1(C)CCCN(CC[NH2+][C@@H]2CCO[C@@H](C(F)(F)F)C2)C1 ZINC000348276164 428688979 /nfs/dbraw/zinc/68/89/79/428688979.db2.gz CXXUIGZIXUVMOP-CHWSQXEVSA-N 2 0 308.388 2.808 20 0 DFADRP CC[N@@H+]1CC[C@H](N(C)Cc2c(C)nc3ccccn32)[C@@H](C)C1 ZINC000353749363 428694007 /nfs/dbraw/zinc/69/40/07/428694007.db2.gz FUWMLXKNFUNXAN-HOCLYGCPSA-N 2 0 300.450 2.805 20 0 DFADRP C[C@H](O)C[NH+]1CCC(C[N@H+](C)[C@@H]2C[C@H]2c2cccc(F)c2)CC1 ZINC000411248990 428764378 /nfs/dbraw/zinc/76/43/78/428764378.db2.gz YGTMSWGQBPETKZ-ZOCIIQOWSA-N 2 0 320.452 2.706 20 0 DFADRP CCCNC(=O)CCC[N@@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000411231595 428765476 /nfs/dbraw/zinc/76/54/76/428765476.db2.gz YIVBXRYSNJGXQR-GOSISDBHSA-N 2 0 323.525 2.881 20 0 DFADRP CO[C@H]1CCC[NH+](CCC(C)CC[N@H+]2CCC[C@H](OC)C2)C1 ZINC000411232865 428765775 /nfs/dbraw/zinc/76/57/75/428765775.db2.gz UGAAYBXZWGARPA-ROUUACIJSA-N 2 0 312.498 2.624 20 0 DFADRP CC(C)SCC[NH2+][C@@H]1CC[N@H+](C[C@H]2CCCO2)C[C@@H]1C ZINC000374906858 428781448 /nfs/dbraw/zinc/78/14/48/428781448.db2.gz CODANBJQBMIZQB-ARFHVFGLSA-N 2 0 300.512 2.607 20 0 DFADRP CC(C)[C@@H](C(=O)N1CCC(CC[NH+](C)C)CC1)[NH+]1CCCCC1 ZINC000353959184 428793252 /nfs/dbraw/zinc/79/32/52/428793252.db2.gz COVGKIVOIVKKHT-SFHVURJKSA-N 2 0 323.525 2.687 20 0 DFADRP COC(=O)C[C@@H]1CC[C@H]([NH2+]CCC[NH+]2C[C@H](C)C[C@@H](C)C2)[C@@H]1C ZINC000353934843 428784572 /nfs/dbraw/zinc/78/45/72/428784572.db2.gz YOZOQGHNYIHICC-DZVNLGKHSA-N 2 0 324.509 2.922 20 0 DFADRP CC(C)[C@@H]([NH2+]C[C@@H]1CN(C)CCN1C)c1cc2ccccc2o1 ZINC000345177705 428787138 /nfs/dbraw/zinc/78/71/38/428787138.db2.gz RZHPFQKICRGMLS-VQIMIIECSA-N 2 0 315.461 2.965 20 0 DFADRP COc1cc(C[NH2+]CC2=CC[N@H+](C)CC2)cc(Cl)c1OC ZINC000345182878 428788200 /nfs/dbraw/zinc/78/82/00/428788200.db2.gz HQWACCZHHPPTRB-UHFFFAOYSA-N 2 0 310.825 2.709 20 0 DFADRP CC(C)[C@@H](C[NH2+][C@H](C)C1C(C)(C)C1(C)C)N1CC[NH+](C)CC1 ZINC000353946825 428789018 /nfs/dbraw/zinc/78/90/18/428789018.db2.gz VTNODXGODUNCFY-HZPDHXFCSA-N 2 0 309.542 2.919 20 0 DFADRP C[C@H]1CN(CC[C@@H]2CCC[N@@H+]2C)CC[NH+]1Cc1ccccc1 ZINC000411117641 428742137 /nfs/dbraw/zinc/74/21/37/428742137.db2.gz LXCNHDSDEFIUQB-HKUYNNGSSA-N 2 0 301.478 2.677 20 0 DFADRP CCC[NH+]1CCC(C[NH2+][C@H](CC)C2(C(=O)OC)CCC2)CC1 ZINC000353851365 428746814 /nfs/dbraw/zinc/74/68/14/428746814.db2.gz YOHOIGHYQGXWEB-MRXNPFEDSA-N 2 0 310.482 2.820 20 0 DFADRP CC[N@@H+]1CC[C@H]([NH2+]Cc2ccc(OCCCOC)cc2)[C@H](C)C1 ZINC000353851800 428747164 /nfs/dbraw/zinc/74/71/64/428747164.db2.gz ANJJFNNUFSXSDK-APWZRJJASA-N 2 0 320.477 2.922 20 0 DFADRP COC(=O)[C@@H](C)C[N@H+](C)Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000411172754 428752122 /nfs/dbraw/zinc/75/21/22/428752122.db2.gz MWIJXDHPRDLLFI-INIZCTEOSA-N 2 0 318.461 2.913 20 0 DFADRP C[N@H+](C[C@H]1CC12CC[NH+](Cc1ccc(F)nc1)CC2)C1CC1 ZINC000375298137 428845393 /nfs/dbraw/zinc/84/53/93/428845393.db2.gz SKILRXWGLSHGGC-OAHLLOKOSA-N 2 0 303.425 2.917 20 0 DFADRP CC[N@H+](C)C[C@@H]1CCN(Cc2cnc(-c3ccncc3)s2)C1 ZINC000354078449 428850709 /nfs/dbraw/zinc/85/07/09/428850709.db2.gz RUXQOZIILCQUKZ-AWEZNQCLSA-N 2 0 316.474 2.979 20 0 DFADRP CO[C@@H]1CCN(CCOc2cccc(C(C)(C)C)c2)[C@@H](C[NH3+])C1 ZINC000359052868 428793821 /nfs/dbraw/zinc/79/38/21/428793821.db2.gz GUHLMEPQCRBLRL-IAGOWNOFSA-N 2 0 320.477 2.801 20 0 DFADRP CCC[N@H+](CC)Cc1ccc(C(=O)N[C@H](C)CC[NH+](C)C)cc1 ZINC000353959781 428794631 /nfs/dbraw/zinc/79/46/31/428794631.db2.gz LMFFYGBOHTVZBJ-MRXNPFEDSA-N 2 0 319.493 2.989 20 0 DFADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)CC1(C)CCCC1 ZINC000345202969 428796734 /nfs/dbraw/zinc/79/67/34/428796734.db2.gz RLUHXKWMTPTNTB-UHFFFAOYSA-N 2 0 311.514 2.689 20 0 DFADRP C[C@H]1CC[N@H+](Cc2ccc(C[NH+]3CCCCC3)cc2)C[C@@H]1O ZINC000411456177 428799355 /nfs/dbraw/zinc/79/93/55/428799355.db2.gz YWZMTACGGRYDPS-LPHOPBHVSA-N 2 0 302.462 2.875 20 0 DFADRP C[C@@H]1C[C@@H](NC[C@@H](C2CC2)[NH+](C)C)CC[N@@H+]1Cc1ccccc1 ZINC000359113296 428822551 /nfs/dbraw/zinc/82/25/51/428822551.db2.gz IKIIHHXBDIHNCR-UXPWSPDFSA-N 2 0 315.505 2.969 20 0 DFADRP CO[C@H]1CCCC[C@@H]1[NH2+]Cc1cn(-c2cc[nH+]cc2)nc1C ZINC000362964771 428825532 /nfs/dbraw/zinc/82/55/32/428825532.db2.gz XCYFSOZOZRWNJN-IRXDYDNUSA-N 2 0 300.406 2.623 20 0 DFADRP CO[C@@H]1C[N@H+](Cc2ccc(C[NH+]3CCCCC3)cc2)C[C@@H]1OC ZINC000411628618 428828376 /nfs/dbraw/zinc/82/83/76/428828376.db2.gz WMBRIJLQKMKZQU-KDURUIRLSA-N 2 0 318.461 2.518 20 0 DFADRP C[C@H]1CC[C@H](CC(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)C1 ZINC000345300500 428835451 /nfs/dbraw/zinc/83/54/51/428835451.db2.gz XKTGGCMXPXIOSR-IRXDYDNUSA-N 2 0 311.514 2.545 20 0 DFADRP CCC[N@@H+]1CCC[C@@H]1C(=O)Nc1ccccc1CC[NH+](C)C ZINC000354191846 428907003 /nfs/dbraw/zinc/90/70/03/428907003.db2.gz RCRYRYFPJORKBD-QGZVFWFLSA-N 2 0 303.450 2.604 20 0 DFADRP CCc1ccccc1C[N@@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@H]21 ZINC000375345075 428859985 /nfs/dbraw/zinc/85/99/85/428859985.db2.gz KVFCSBYMBLBCTF-GUDVDZBRSA-N 2 0 302.462 2.933 20 0 DFADRP CC(C)[C@@H]([NH2+]CCCC[N@@H+]1CCC[C@@H]1CO)c1ccc(F)cn1 ZINC000354095191 428860966 /nfs/dbraw/zinc/86/09/66/428860966.db2.gz YXNLJOSJYZRIAX-SJLPKXTDSA-N 2 0 323.456 2.744 20 0 DFADRP Cc1cccc2nc(CN3C[C@@H]4C[N@@H+]5CCCC[C@H]5[C@H]4C3)cn21 ZINC000363118063 428861288 /nfs/dbraw/zinc/86/12/88/428861288.db2.gz QYXWVYWDNIDXSR-NJAFHUGGSA-N 2 0 310.445 2.559 20 0 DFADRP O=C(c1ccccc1)C1CC[NH+](CCC2CC[NH2+]CC2)CC1 ZINC000359200538 428863192 /nfs/dbraw/zinc/86/31/92/428863192.db2.gz ZAJJMZHBOJDMRI-UHFFFAOYSA-N 2 0 300.446 2.971 20 0 DFADRP CC(C)[N@H+](CCC1CC[NH2+]CC1)CC(=O)Nc1ccc(F)cc1 ZINC000359220579 428871421 /nfs/dbraw/zinc/87/14/21/428871421.db2.gz WQZBYZYOAJKNDZ-UHFFFAOYSA-N 2 0 321.440 2.864 20 0 DFADRP CCOC[C@H]1CCC[C@@H]1[NH2+]Cc1ccccc1OCC[NH+](C)C ZINC000354133334 428878919 /nfs/dbraw/zinc/87/89/19/428878919.db2.gz DBYQGYXNBDJKCK-MSOLQXFVSA-N 2 0 320.477 2.922 20 0 DFADRP CCOC[C@@H]1CCC[C@@H]1[NH2+]CCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000354135687 428880524 /nfs/dbraw/zinc/88/05/24/428880524.db2.gz ZNOKUIIFDQLUJC-MHORFTMASA-N 2 0 312.498 2.671 20 0 DFADRP C[N@@H+]1CCC[C@@]2(CC[NH+](Cc3cc(-n4ccnc4)cs3)C2)C1 ZINC000354176760 428898937 /nfs/dbraw/zinc/89/89/37/428898937.db2.gz LTYHDROLAULHOI-QGZVFWFLSA-N 2 0 316.474 2.852 20 0 DFADRP Cc1cccc([C@H](C)[NH+]2CCN([C@H]3CCC[N@H+](C)C3)CC2)c1 ZINC000363287517 428900441 /nfs/dbraw/zinc/90/04/41/428900441.db2.gz FUKWLLBUDMHRPN-HKUYNNGSSA-N 2 0 301.478 2.768 20 0 DFADRP CCc1cnc(CN(CC[NH+](C)C)C[C@H]2CCC[N@H+]2CC)s1 ZINC000349061322 428912639 /nfs/dbraw/zinc/91/26/39/428912639.db2.gz ITDAWGUHJDELHE-OAHLLOKOSA-N 2 0 324.538 2.553 20 0 DFADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)Cc1cccc(F)c1 ZINC000349064569 428912674 /nfs/dbraw/zinc/91/26/74/428912674.db2.gz VLXVLFGSQWHCHM-SFHVURJKSA-N 2 0 307.457 2.674 20 0 DFADRP Cc1ccc(C)c(C[NH+]2CCN([C@H]3CCC[N@@H+](C)C3)CC2)c1 ZINC000363539517 428936618 /nfs/dbraw/zinc/93/66/18/428936618.db2.gz LPANUFFIDMAGMV-IBGZPJMESA-N 2 0 301.478 2.515 20 0 DFADRP COc1cc(C)c(C[N@@H+]2CC[C@@H](C3CC[NH+](C)CC3)C2)c(C)n1 ZINC000349196287 428937993 /nfs/dbraw/zinc/93/79/93/428937993.db2.gz UVDRECIPAPDQRM-QGZVFWFLSA-N 2 0 317.477 2.871 20 0 DFADRP CC(C)c1nccn1C[C@H]1CCC[N@H+]1CC(=O)N[C@@H](C)C(C)C ZINC000363568230 428944533 /nfs/dbraw/zinc/94/45/33/428944533.db2.gz QCNGXMYHQBJOCE-JKSUJKDBSA-N 2 0 320.481 2.632 20 0 DFADRP CC(C)c1nccn1C[C@@H]1CCC[N@H+]1CC(=O)N[C@@H](C)C(C)C ZINC000363568228 428946031 /nfs/dbraw/zinc/94/60/31/428946031.db2.gz QCNGXMYHQBJOCE-HOTGVXAUSA-N 2 0 320.481 2.632 20 0 DFADRP C[C@H](C(=O)N[C@@H]1CC[N@H+](CC2CCCC2)C1)[NH+]1CCCCCC1 ZINC000345586292 428946885 /nfs/dbraw/zinc/94/68/85/428946885.db2.gz NZQJRLXMPKFLLC-SJLPKXTDSA-N 2 0 321.509 2.632 20 0 DFADRP C[C@@H]1[C@H](NCCC[NH2+]C2CC2)CCC[N@@H+]1Cc1ccccc1 ZINC000423552408 428972009 /nfs/dbraw/zinc/97/20/09/428972009.db2.gz JWONZBNFKLSAGN-VQIMIIECSA-N 2 0 301.478 2.771 20 0 DFADRP COC(=O)CCC[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)C1 ZINC000423563263 428972104 /nfs/dbraw/zinc/97/21/04/428972104.db2.gz XBFYPIHJYZHBEQ-KFGODFMUSA-N 2 0 322.493 2.866 20 0 DFADRP C[C@H]1C[C@H]([NH2+]Cc2cn(C)nc2-c2cccs2)CC[N@@H+]1C ZINC000354284147 428955636 /nfs/dbraw/zinc/95/56/36/428955636.db2.gz WEYMZUTYYSASNH-GXTWGEPZSA-N 2 0 304.463 2.721 20 0 DFADRP Cn1nccc1CC[N@@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000375754776 428962442 /nfs/dbraw/zinc/96/24/42/428962442.db2.gz DKYVGUCWCRMJQR-FQEVSTJZSA-N 2 0 324.472 2.561 20 0 DFADRP C[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]CC[C@@H](O)C(F)(F)F)CC1 ZINC000349336714 428965014 /nfs/dbraw/zinc/96/50/14/428965014.db2.gz XOMJDDRYWZDJAD-VHDGCEQUSA-N 2 0 322.415 2.932 20 0 DFADRP COc1ncc([C@H](C)[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)cc1Cl ZINC000423546614 428968902 /nfs/dbraw/zinc/96/89/02/428968902.db2.gz KNSUJCNOXYLJAU-OIMNJJJWSA-N 2 0 309.841 2.782 20 0 DFADRP C[C@@H]([C@H](C)[NH2+]CCC[N@@H+]1CCC[C@@H](C(N)=O)C1)C1CCCCC1 ZINC000354327367 428970364 /nfs/dbraw/zinc/97/03/64/428970364.db2.gz GVSUZWVDCIBOKA-XYJFISCASA-N 2 0 323.525 2.768 20 0 DFADRP CCCC[N@H+](C)C[C@H](C)NC(=O)C(C)(C)[C@@H]([NH3+])c1ccccc1 ZINC000423777702 429016281 /nfs/dbraw/zinc/01/62/81/429016281.db2.gz SBUYALSDBYKWPA-RDJZCZTQSA-N 2 0 319.493 2.949 20 0 DFADRP C[C@@H]1CC[NH2+][C@@H](C(=O)Nc2cccc(CC[NH+]3CCCC3)c2)C1 ZINC000423782577 429019083 /nfs/dbraw/zinc/01/90/83/429019083.db2.gz ZIQBWACLHFSHGZ-CRAIPNDOSA-N 2 0 315.461 2.652 20 0 DFADRP Cc1cc(C[NH+](C)C)cc(NC(=O)[C@@H]2C[C@@H]3CCCC[C@H]3[NH2+]2)c1 ZINC000423788459 429021477 /nfs/dbraw/zinc/02/14/77/429021477.db2.gz SHGUNBCBKFXIDQ-JQHSSLGASA-N 2 0 315.461 2.916 20 0 DFADRP CC(C)CC[N@@H+]1Cc2cccc(NC(=O)[C@H](C)C3C[NH2+]C3)c2C1 ZINC000375963788 429027381 /nfs/dbraw/zinc/02/73/81/429027381.db2.gz LHLHIYFQXPDSAR-CQSZACIVSA-N 2 0 315.461 2.842 20 0 DFADRP CCOC(=O)c1coc(CNC[C@H]2CCC[N@@H+](C(C)C)C2)c1 ZINC000354331474 428972804 /nfs/dbraw/zinc/97/28/04/428972804.db2.gz RHNSJZSYPQAOHG-CQSZACIVSA-N 2 0 308.422 2.666 20 0 DFADRP COCCOc1cccc(C[N@H+](C)CCCn2ccnc2C)c1 ZINC000349367921 428972913 /nfs/dbraw/zinc/97/29/13/428972913.db2.gz MQVYOAAZMSZPSS-UHFFFAOYSA-N 2 0 317.433 2.739 20 0 DFADRP C[C@@H]1C[C@H]([NH+]2CCN(c3cc[nH+]c4ccccc43)CC2)CCO1 ZINC000420959731 428975664 /nfs/dbraw/zinc/97/56/64/428975664.db2.gz GTWPZFRSSPMCQF-HZPDHXFCSA-N 2 0 311.429 2.924 20 0 DFADRP C[NH+](C)CCOc1ccc(C[NH2+][C@@H]2CCCc3n[nH]cc32)cc1 ZINC000375795290 428975946 /nfs/dbraw/zinc/97/59/46/428975946.db2.gz WVUSEENKWYLZHJ-QGZVFWFLSA-N 2 0 314.433 2.517 20 0 DFADRP C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1CC[N@H+](C)Cc1ccc(F)cc1 ZINC000375789852 428976062 /nfs/dbraw/zinc/97/60/62/428976062.db2.gz VBLQYCFNZFXPLF-VQIMIIECSA-N 2 0 319.468 2.816 20 0 DFADRP C[C@@H]([NH2+][C@@H]1CCN(C2CC[NH+](C)CC2)C1)c1ccc(F)cc1F ZINC000363788561 428994658 /nfs/dbraw/zinc/99/46/58/428994658.db2.gz XUSBCNVZQDQRJZ-UKRRQHHQSA-N 2 0 323.431 2.784 20 0 DFADRP [NH3+]C1CC[NH+](CCCC(=O)N2CCC3(CCCCC3)CC2)CC1 ZINC000433125026 428995727 /nfs/dbraw/zinc/99/57/27/428995727.db2.gz HTGJNFQQWXIKQG-UHFFFAOYSA-N 2 0 321.509 2.763 20 0 DFADRP C[N@@H+]1CC[C@H]([NH2+]Cc2cccc(Cn3cccn3)c2)[C@@H]2CCC[C@@H]21 ZINC000375850739 428996519 /nfs/dbraw/zinc/99/65/19/428996519.db2.gz JZKOYTKTUVTRGH-UFYCRDLUSA-N 2 0 324.472 2.894 20 0 DFADRP CCCC[C@@H]1CCC[C@H]1NC(=O)CCC[NH+]1CCC([NH3+])CC1 ZINC000433151125 429001234 /nfs/dbraw/zinc/00/12/34/429001234.db2.gz HQQJQFKXQGSZFI-NVXWUHKLSA-N 2 0 309.498 2.665 20 0 DFADRP Cc1cc(Cl)ccc1NC(=O)CCC[NH+]1CCC([NH3+])CC1 ZINC000433146803 429001600 /nfs/dbraw/zinc/00/16/00/429001600.db2.gz MMPPHQXVRKOKIS-UHFFFAOYSA-N 2 0 309.841 2.790 20 0 DFADRP CCCN(CC[NH+](C)C)C(=O)[C@@H](CC)[N@H+](C)Cc1ccccc1 ZINC000355227294 429034280 /nfs/dbraw/zinc/03/42/80/429034280.db2.gz LTBWDHOPKZLFHO-GOSISDBHSA-N 2 0 319.493 2.697 20 0 DFADRP CCc1ccc([C@H](O)C[NH2+][C@@H]2CC[N@H+](C)[C@H]3CCC[C@@H]32)cc1 ZINC000375897128 429011935 /nfs/dbraw/zinc/01/19/35/429011935.db2.gz DJEKRPFJFNDABN-AKHDSKFASA-N 2 0 302.462 2.745 20 0 DFADRP O=C(N[C@@H]1CC[N@@H+]2CCCC[C@@H]12)[C@@H]1CCCC[NH+]1C1CCCC1 ZINC000433231951 429012280 /nfs/dbraw/zinc/01/22/80/429012280.db2.gz ZJSOEZXPMWTYQU-SQNIBIBYSA-N 2 0 319.493 2.527 20 0 DFADRP C[C@H](CCC[NH3+])[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000423444067 429089613 /nfs/dbraw/zinc/08/96/13/429089613.db2.gz AUMIQRYOOMUIGY-OWYHZJEWSA-N 3 0 301.478 2.899 20 0 DFADRP C[C@@H]1C[C@H]([NH2+]C[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)CCO1 ZINC000423460807 429090250 /nfs/dbraw/zinc/09/02/50/429090250.db2.gz BLLBVAZGNFENCF-AETAKHFUSA-N 2 0 306.425 2.676 20 0 DFADRP COC[C@@H]([NH2+]C[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1)C1CC1 ZINC000423462716 429090396 /nfs/dbraw/zinc/09/03/96/429090396.db2.gz DXHRNNSVDXVZFC-CGTJXYLNSA-N 2 0 306.425 2.533 20 0 DFADRP Cc1c([C@H](C)[NH2+]C[C@@H]2CCC[C@@H]([NH3+])C2)nnn1-c1ccccc1 ZINC000423456809 429090875 /nfs/dbraw/zinc/09/08/75/429090875.db2.gz HGLNSQQGTZQWQU-NUEKZKHPSA-N 2 0 313.449 2.744 20 0 DFADRP COc1cc([C@H](C)[NH2+]C[C@@H]2CCC[C@@H]([NH3+])C2)cc(OC)c1OC ZINC000423453243 429090894 /nfs/dbraw/zinc/09/08/94/429090894.db2.gz AKZMZDVZMFKWDY-GZBFAFLISA-N 2 0 322.449 2.881 20 0 DFADRP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)CC[C@@H]([NH3+])CC1CCCCC1 ZINC000424138617 429097815 /nfs/dbraw/zinc/09/78/15/429097815.db2.gz CSYFDPBMADCZEQ-QGPMSJSTSA-N 2 0 321.509 2.663 20 0 DFADRP C[C@@H]1C[C@@H](NC[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)CC[N@@H+]1C ZINC000423470627 429091665 /nfs/dbraw/zinc/09/16/65/429091665.db2.gz LNGPUGDFEOTHCG-TWKWOARYSA-N 2 0 319.468 2.591 20 0 DFADRP C[C@H]1C[C@@H](NC[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)CC[N@@H+]1C ZINC000423470625 429093365 /nfs/dbraw/zinc/09/33/65/429093365.db2.gz LNGPUGDFEOTHCG-OYSPMZIOSA-N 2 0 319.468 2.591 20 0 DFADRP COc1cc2c(cc1OC)[C@H]([NH2+]C[C@H]1CCC[C@H]([NH3+])C1)CC2 ZINC000423475556 429094741 /nfs/dbraw/zinc/09/47/41/429094741.db2.gz QAFXSROSFOEBDT-DUVNUKRYSA-N 2 0 304.434 2.798 20 0 DFADRP CC[C@@H](NC[C@@H]1C[NH2+]CCCO1)c1cccc(Cl)c1F ZINC000423489754 429096214 /nfs/dbraw/zinc/09/62/14/429096214.db2.gz GNZGEGQERKXWCR-SMDDNHRTSA-N 2 0 300.805 2.898 20 0 DFADRP CC1CC[NH+](CCc2cccc(NC(=O)[C@@H]3CC[NH2+]C3)c2)CC1 ZINC000423844116 429035923 /nfs/dbraw/zinc/03/59/23/429035923.db2.gz LNHABSMEXGKFPN-QGZVFWFLSA-N 2 0 315.461 2.509 20 0 DFADRP C[C@H](NC[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1)[C@H]1CCCC[NH2+]1 ZINC000423483738 429096544 /nfs/dbraw/zinc/09/65/44/429096544.db2.gz ZBXMJHURYIAIFH-IAAVTCLWSA-N 3 0 319.468 2.639 20 0 DFADRP CO[C@@H]1CCC[NH+](C/C=C/C[N@H+]2CCC[C@H](OC)CC2)CC1 ZINC000376066571 429051238 /nfs/dbraw/zinc/05/12/38/429051238.db2.gz ICLZLBCFOLQHQY-GEWVGOBGSA-N 2 0 310.482 2.544 20 0 DFADRP C[NH2+]C[C@@H](C)C[NH2+][C@H](C)c1ccc(OCc2nccn2C)cc1 ZINC000423279408 429056433 /nfs/dbraw/zinc/05/64/33/429056433.db2.gz SJVUHCFXRBXNLY-HUUCEWRRSA-N 2 0 316.449 2.505 20 0 DFADRP CCC([NH3+])(CC)C[NH2+][C@H](C)c1ccc(CCNC(C)=O)cc1 ZINC000423287575 429057167 /nfs/dbraw/zinc/05/71/67/429057167.db2.gz MZWKVFJBUXGWGQ-CQSZACIVSA-N 2 0 305.466 2.533 20 0 DFADRP CCC([NH3+])(CC)CN[C@H](C)c1ccc(OCC[NH+](C)C)cc1 ZINC000423287270 429057425 /nfs/dbraw/zinc/05/74/25/429057425.db2.gz LEQUKGZQQIEXPR-OAHLLOKOSA-N 2 0 307.482 2.795 20 0 DFADRP CCCC[C@H](C[NH3+])N[C@H](C)c1ccc(CCNC(C)=O)cc1 ZINC000423294426 429058072 /nfs/dbraw/zinc/05/80/72/429058072.db2.gz BVLJMEPSRLIBJH-RDTXWAMCSA-N 2 0 305.466 2.533 20 0 DFADRP CCC([NH3+])(CC)C[NH2+][C@H](CCn1cncn1)c1ccc(C)cc1 ZINC000423286910 429058585 /nfs/dbraw/zinc/05/85/85/429058585.db2.gz JJOLEGFXAMVHMB-QGZVFWFLSA-N 2 0 315.465 2.825 20 0 DFADRP CC(C)([NH3+])CN[C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000423289201 429058911 /nfs/dbraw/zinc/05/89/11/429058911.db2.gz WLCGUOYDNOWAME-RCCFBDPRSA-N 3 0 301.478 2.614 20 0 DFADRP CCC[NH2+]CCN[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000423305738 429059570 /nfs/dbraw/zinc/05/95/70/429059570.db2.gz COROJOYCJLWUPZ-LDLYASANSA-N 2 0 301.478 2.771 20 0 DFADRP c1ccc(C[N@@H+]2CC[C@H](N[C@H]3CCC[NH2+]C3)[C@@H]3CCC[C@@H]32)cc1 ZINC000423303446 429059865 /nfs/dbraw/zinc/05/98/65/429059865.db2.gz LODFVJHFLRMHNH-MUGJNUQGSA-N 3 0 313.489 2.771 20 0 DFADRP COc1ccc([C@@H](Cc2ccc(F)cc2)[NH2+]CC2C[NH2+]C2)cc1 ZINC000423308673 429061215 /nfs/dbraw/zinc/06/12/15/429061215.db2.gz YCXTXUCFWGMHPJ-LJQANCHMSA-N 2 0 314.404 2.927 20 0 DFADRP COc1ccc([C@H](C)[NH2+]CC2(C)CC[NH2+]CC2)cc1NC(C)=O ZINC000423318098 429061650 /nfs/dbraw/zinc/06/16/50/429061650.db2.gz CBMCDRJCPITVDQ-ZDUSSCGKSA-N 2 0 319.449 2.694 20 0 DFADRP C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)[C@H]2[NH2+]CCCC2(C)C)C1 ZINC000423318637 429062485 /nfs/dbraw/zinc/06/24/85/429062485.db2.gz CRKKXADVAJOQEW-BRWVUGGUSA-N 2 0 323.525 2.639 20 0 DFADRP C[C@H](Cc1ccc(F)cc1Br)[NH2+]C[C@@H]([NH3+])C1CC1 ZINC000423311551 429063702 /nfs/dbraw/zinc/06/37/02/429063702.db2.gz BYPNQQKDWJNTJA-YMTOWFKASA-N 2 0 315.230 2.846 20 0 DFADRP CC1(C[NH2+][C@@H](Cc2ccccn2)c2cccnc2)CC[NH2+]CC1 ZINC000423331018 429064659 /nfs/dbraw/zinc/06/46/59/429064659.db2.gz OBOGWERWSXBPKF-SFHVURJKSA-N 2 0 310.445 2.740 20 0 DFADRP Cc1cc(Br)cc2c1[C@H]([NH2+]C[C@H]1CC[NH2+]C1)CC2 ZINC000423324660 429065028 /nfs/dbraw/zinc/06/50/28/429065028.db2.gz BDRWXFAMINRMAN-SMDDNHRTSA-N 2 0 309.251 2.944 20 0 DFADRP Cc1nn(C)c2sc([C@H](C)[NH2+]CC3(C)CC[NH2+]CC3)cc12 ZINC000423329724 429065101 /nfs/dbraw/zinc/06/51/01/429065101.db2.gz NFEKKMYXBQGMOU-LBPRGKRZSA-N 2 0 306.479 2.984 20 0 DFADRP CC[C@@H](C(=O)N[C@@H](C[NH3+])C1CCCC1)[N@H+](C)Cc1ccccc1 ZINC000423960710 429065170 /nfs/dbraw/zinc/06/51/70/429065170.db2.gz NMDHTLLMNQVWCO-ROUUACIJSA-N 2 0 317.477 2.531 20 0 DFADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC1(C)CC[NH2+]CC1 ZINC000423323550 429066157 /nfs/dbraw/zinc/06/61/57/429066157.db2.gz ICFOXDROZKKVKV-MJGOQNOKSA-N 3 0 315.505 2.876 20 0 DFADRP C[C@@H]([NH3+])c1ccc(C(=O)NC[C@@H](C2CCCCC2)[NH+](C)C)cc1 ZINC000423339814 429067089 /nfs/dbraw/zinc/06/70/89/429067089.db2.gz WYWMHAVNBORXCN-KDOFPFPSSA-N 2 0 317.477 2.947 20 0 DFADRP COc1ccc([C@@H](Cc2ccncc2)[NH2+]C[C@@H]2CC[NH2+]C2)cc1 ZINC000423339644 429067770 /nfs/dbraw/zinc/06/77/70/429067770.db2.gz LLNIFHHOXKTZIN-VQIMIIECSA-N 2 0 311.429 2.573 20 0 DFADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC[C@]1(C)CCC[NH2+]C1 ZINC000423338714 429068557 /nfs/dbraw/zinc/06/85/57/429068557.db2.gz UUVLQRLHCXSKPM-YZGWKJHDSA-N 2 0 315.505 2.876 20 0 DFADRP C[C@H](Cc1ccc(Br)cc1)[NH2+]CC1=CC[NH2+]CC1 ZINC000423348196 429069135 /nfs/dbraw/zinc/06/91/35/429069135.db2.gz SFMWVRHQNWTIEQ-GFCCVEGCSA-N 2 0 309.251 2.889 20 0 DFADRP C[C@H]([NH3+])c1ccc(C(=O)N2CCC[C@H]2C[NH+]2CCCCC2)cc1 ZINC000423344016 429069801 /nfs/dbraw/zinc/06/98/01/429069801.db2.gz DXVZPAMGXMULTM-YJBOKZPZSA-N 2 0 315.461 2.797 20 0 DFADRP COCCc1nc(C)c([C@H](C)[NH2+]C[C@@]2(C)CCC[NH2+]C2)s1 ZINC000423344961 429069836 /nfs/dbraw/zinc/06/98/36/429069836.db2.gz OPXPBCIVHNRJBK-LRDDRELGSA-N 2 0 311.495 2.681 20 0 DFADRP Cc1c([C@@H](C)[NH2+]CCCC[NH3+])nnn1-c1cccc(Cl)c1 ZINC000423343345 429070146 /nfs/dbraw/zinc/07/01/46/429070146.db2.gz VYSSISBTZSYUQY-LLVKDONJSA-N 2 0 307.829 2.619 20 0 DFADRP Clc1ccc(CN2CCC([NH2+]CC3=CC[NH2+]CC3)CC2)cc1 ZINC000423349434 429070824 /nfs/dbraw/zinc/07/08/24/429070824.db2.gz WSDYPHAKJPAZDF-UHFFFAOYSA-N 2 0 319.880 2.814 20 0 DFADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NCC[C@H]1CCC[NH2+]1 ZINC000423366782 429073619 /nfs/dbraw/zinc/07/36/19/429073619.db2.gz QJOUDSOKEZIOKR-BHIYHBOVSA-N 2 0 301.478 2.629 20 0 DFADRP COCCOc1ccc([C@H](C)[NH2+][C@H]2CC[NH2+][C@@H](C)C2)cc1OC ZINC000423368167 429073657 /nfs/dbraw/zinc/07/36/57/429073657.db2.gz DTOTYDMNGXIMRE-DZKIICNBSA-N 2 0 322.449 2.512 20 0 DFADRP C[C@@H]1C[C@H](N[C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)CC[NH2+]1 ZINC000423370680 429074095 /nfs/dbraw/zinc/07/40/95/429074095.db2.gz DUCKBAVCGUYBNY-RUGGUXRKSA-N 2 0 313.489 2.912 20 0 DFADRP CC(C)[C@@H](C(=O)NCC(C)(C)[NH2+][C@@H](C)c1ccccc1)[C@H](C)[NH3+] ZINC000423367832 429074206 /nfs/dbraw/zinc/07/42/06/429074206.db2.gz AQZYZWDKJNGUTO-YQQAZPJKSA-N 2 0 319.493 2.851 20 0 DFADRP COc1ncc([C@H](C)[NH2+]C[C@@H]2CCNCC2(F)F)cc1Cl ZINC000423489154 429097285 /nfs/dbraw/zinc/09/72/85/429097285.db2.gz WQOMFSVUEMMIDA-ONGXEEELSA-N 2 0 319.783 2.639 20 0 DFADRP C[C@H]([NH3+])c1ccc(C(=O)NCC(C)(C)[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000423377439 429076304 /nfs/dbraw/zinc/07/63/04/429076304.db2.gz YSYSIEGUROAQBC-GJZGRUSLSA-N 2 0 317.477 2.947 20 0 DFADRP CCC[C@H](C)[C@H](CC)[NH2+]C[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000423376470 429076594 /nfs/dbraw/zinc/07/65/94/429076594.db2.gz DRQIMHSSXXKPFB-IHRRRGAJSA-N 2 0 309.420 2.627 20 0 DFADRP C[C@@H](N[C@@H]1CC[NH2+][C@H](C)C1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000423374754 429076657 /nfs/dbraw/zinc/07/66/57/429076657.db2.gz IIYXEKSZQQWJBS-ZAWLATJESA-N 2 0 301.478 2.627 20 0 DFADRP C[C@@H]1C[NH2+]CC[C@@H]1[NH2+][C@H](C[C@H]1CCOC1)c1ccc(F)cc1 ZINC000423391286 429078529 /nfs/dbraw/zinc/07/85/29/429078529.db2.gz KQVRCBCNZTUGRS-KJWYOANISA-N 2 0 306.425 2.881 20 0 DFADRP CC(C)CC[C@@H]([NH2+]C[C@@H](N1CC[NH2+]CC1)C(F)(F)F)C1CC1 ZINC000423397590 429079269 /nfs/dbraw/zinc/07/92/69/429079269.db2.gz SPAREABEYJMBIH-HUUCEWRRSA-N 2 0 321.431 2.627 20 0 DFADRP CC[N@H+](Cc1ccc(C(=O)NC(C)(C)CC[NH3+])cc1)C1CC1 ZINC000424044888 429081578 /nfs/dbraw/zinc/08/15/78/429081578.db2.gz GDYRCXMYZZVVCL-UHFFFAOYSA-N 2 0 303.450 2.528 20 0 DFADRP COCC1(C[NH2+][C@@H](C)Cc2coc3ccccc23)CC[NH2+]CC1 ZINC000423398608 429082380 /nfs/dbraw/zinc/08/23/80/429082380.db2.gz DDTMQGNJNMSKNN-HNNXBMFYSA-N 2 0 316.445 2.970 20 0 DFADRP COC[C@]1(C[NH2+]C2CCC(OC3CCCC3)CC2)CCC[NH2+]1 ZINC000423409481 429083115 /nfs/dbraw/zinc/08/31/15/429083115.db2.gz BRVWADVSXTXYLF-VMWRSERWSA-N 2 0 310.482 2.615 20 0 DFADRP COC[C@@]1(C[NH2+][C@@H](Cc2ccccc2OC)C(C)C)CCC[NH2+]1 ZINC000423408994 429084129 /nfs/dbraw/zinc/08/41/29/429084129.db2.gz BFTBTNQQUCXIEK-HKUYNNGSSA-N 2 0 320.477 2.621 20 0 DFADRP Cc1c([C@H](C)[NH2+][C@@H](C)CCCC[NH3+])nnn1-c1ccccc1 ZINC000423425829 429085039 /nfs/dbraw/zinc/08/50/39/429085039.db2.gz HGWPUSNQJZWGJG-KBPBESRZSA-N 2 0 301.438 2.744 20 0 DFADRP COC[C@@]1(C[NH2+][C@@H](C)[C@H]2C[C@@H]2c2ccc(OC)cc2)CCC[NH2+]1 ZINC000423417545 429085076 /nfs/dbraw/zinc/08/50/76/429085076.db2.gz SPLGOFIAGLLNCI-PIKADFDJSA-N 2 0 318.461 2.545 20 0 DFADRP C[C@H]([NH3+])[C@H]1CCCCN1C(=O)CC[C@H]([NH3+])CC1CCCCC1 ZINC000424064324 429085532 /nfs/dbraw/zinc/08/55/32/429085532.db2.gz ZDUIGHVHURTDLD-BHYGNILZSA-N 2 0 309.498 2.793 20 0 DFADRP C[C@H]([NH3+])c1ccc(C(=O)N[C@@H]2CC[N@H+](CC3CCCC3)C2)cc1 ZINC000423422181 429085508 /nfs/dbraw/zinc/08/55/08/429085508.db2.gz YNHXTZPIRWUZKM-KBXCAEBGSA-N 2 0 315.461 2.701 20 0 DFADRP C[C@H]1C[C@H]([NH2+][C@@H]2C[C@H]2C2CC[NH2+]CC2)CN1Cc1ccccc1 ZINC000423437467 429087397 /nfs/dbraw/zinc/08/73/97/429087397.db2.gz MFUZRKPOABOBCM-MVJPYGJCSA-N 2 0 313.489 2.627 20 0 DFADRP C[C@@H]([NH3+])c1ccc(C(=O)N2CC[C@H](C[NH+]3CCCCC3)C2)cc1 ZINC000423447256 429088465 /nfs/dbraw/zinc/08/84/65/429088465.db2.gz UCNJZXRRGPMGBV-HZPDHXFCSA-N 2 0 315.461 2.654 20 0 DFADRP CC[N@H+](Cc1ccc(C(=O)N[C@H](C)CCCC[NH3+])cc1)C1CC1 ZINC000494691433 429143456 /nfs/dbraw/zinc/14/34/56/429143456.db2.gz PVSWXMQLLOOJJH-OAHLLOKOSA-N 2 0 317.477 2.918 20 0 DFADRP CC(C)[N@H+](C)CCC[NH2+][C@H]1CCC[C@@H]1NC(=O)OC(C)(C)C ZINC000494695854 429145323 /nfs/dbraw/zinc/14/53/23/429145323.db2.gz YOWXLGAMUFXRSD-GJZGRUSLSA-N 2 0 313.486 2.752 20 0 DFADRP C[C@@H]([NH2+]CC1CC[NH+](CC(=O)NC(C)(C)C)CC1)[C@H]1CC1(C)C ZINC000487260700 429146279 /nfs/dbraw/zinc/14/62/79/429146279.db2.gz AEWBCVJRJXMICE-GDBMZVCRSA-N 2 0 323.525 2.637 20 0 DFADRP CCN(CC(=O)N(CC(C)C)CC(C)C)[C@H]1CCC[NH2+]CC1 ZINC000435611889 429151885 /nfs/dbraw/zinc/15/18/85/429151885.db2.gz CYNNQXPWMMYYGH-KRWDZBQOSA-N 2 0 311.514 2.591 20 0 DFADRP CCN(Cc1nc(Cc2ccccc2)no1)[C@@H]1CCC[NH2+]CC1 ZINC000435611364 429152140 /nfs/dbraw/zinc/15/21/40/429152140.db2.gz AVTOYCIZMQPALY-MRXNPFEDSA-N 2 0 314.433 2.624 20 0 DFADRP CCN(CC(=O)N(CC(C)C)CC(C)C)[C@@H]1CCC[NH2+]CC1 ZINC000435611890 429152182 /nfs/dbraw/zinc/15/21/82/429152182.db2.gz CYNNQXPWMMYYGH-QGZVFWFLSA-N 2 0 311.514 2.591 20 0 DFADRP Cc1c(F)cccc1NC(=O)CC[N@@H+](C)[C@H]1CCC[NH2+]CC1 ZINC000435621860 429153974 /nfs/dbraw/zinc/15/39/74/429153974.db2.gz AUQMVRGNASOKCD-AWEZNQCLSA-N 2 0 307.413 2.537 20 0 DFADRP CCOc1ccccc1OCC[N@H+](CC)[C@H]1CCC[NH2+]CC1 ZINC000435625648 429154472 /nfs/dbraw/zinc/15/44/72/429154472.db2.gz IIHGRCUZFVTQFA-INIZCTEOSA-N 2 0 306.450 2.928 20 0 DFADRP C[C@@H]1C[C@@H](NC(=O)CC[C@@H]([NH3+])CC2CCCCC2)CC[N@@H+]1C ZINC000424139053 429098998 /nfs/dbraw/zinc/09/89/98/429098998.db2.gz DVAPAQPXHNYHTQ-OIISXLGYSA-N 2 0 309.498 2.663 20 0 DFADRP COC[C@H]([NH2+][C@@H]1CC[C@@H](C[NH3+])C1)c1cccc(Cl)c1F ZINC000423493134 429099714 /nfs/dbraw/zinc/09/97/14/429099714.db2.gz AVWPGKNAMNDFJX-GYSYKLTISA-N 2 0 300.805 2.884 20 0 DFADRP C[C@H]([NH2+][C@@H]1CC[C@@H](C[NH3+])C1)c1ccc(-n2cncn2)cc1Cl ZINC000423492427 429099764 /nfs/dbraw/zinc/09/97/64/429099764.db2.gz MZXCNNXTSRUQIC-YNEHKIRRSA-N 2 0 319.840 2.699 20 0 DFADRP C1CCC2(C1)CCC[C@H]2[NH2+]C1CCC([NH+]2CCNCC2)CC1 ZINC000423513709 429104549 /nfs/dbraw/zinc/10/45/49/429104549.db2.gz RUPSTKCBHGNOSL-DAWZGUTISA-N 2 0 305.510 2.905 20 0 DFADRP CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@H]2CC[C@@H](C[NH3+])C2)c2ccccc21 ZINC000423511372 429104655 /nfs/dbraw/zinc/10/46/55/429104655.db2.gz QCVVUVFIPUKCCS-NONVJHHQSA-N 2 0 316.445 2.885 20 0 DFADRP [NH3+]CC[C@H]1CCCCN1C(=O)CC[C@@H]([NH3+])CC1CCCCC1 ZINC000424176023 429104743 /nfs/dbraw/zinc/10/47/43/429104743.db2.gz OHZHWCGCSFVAGM-IAGOWNOFSA-N 2 0 309.498 2.794 20 0 DFADRP CCC[N@H+](CC)Cc1ccc(C(=O)N2CC[NH2+][C@@H](C)[C@H]2C)cc1 ZINC000434671489 429105320 /nfs/dbraw/zinc/10/53/20/429105320.db2.gz UWMMNSWYRRYAKT-JKSUJKDBSA-N 2 0 317.477 2.741 20 0 DFADRP CC[N@H+](Cc1ccc(C(=O)N[C@@H]2CC[NH+](CC)C2)cc1)C(C)C ZINC000412829706 429108921 /nfs/dbraw/zinc/10/89/21/429108921.db2.gz ABHUXFCMPHOBIE-GOSISDBHSA-N 2 0 317.477 2.741 20 0 DFADRP C[C@@H]1CC2(C[N@@H+]1CCC(=O)Nc1ccc(F)cc1)CC[NH2+]CC2 ZINC000424287040 429119446 /nfs/dbraw/zinc/11/94/46/429119446.db2.gz IGBHFXRLGCQPQR-CQSZACIVSA-N 2 0 319.424 2.618 20 0 DFADRP C[C@H]1CC2(C[N@@H+]1Cc1cn3cc(Cl)ccc3n1)CC[NH2+]CC2 ZINC000424286611 429119532 /nfs/dbraw/zinc/11/95/32/429119532.db2.gz HLHCHWZVPOOALB-ZDUSSCGKSA-N 2 0 318.852 2.952 20 0 DFADRP C[C@@H]1CC2(C[N@@H+]1Cc1cncc(Br)c1)CC[NH2+]CC2 ZINC000424286698 429119724 /nfs/dbraw/zinc/11/97/24/429119724.db2.gz HWHVVUKADOABFQ-GFCCVEGCSA-N 2 0 324.266 2.808 20 0 DFADRP COc1ccccc1OCC[N@@H+]1CC2(C[C@H]1C)CC[NH2+]CC2 ZINC000424295912 429121442 /nfs/dbraw/zinc/12/14/42/429121442.db2.gz RQAAOTACTWFFRT-OAHLLOKOSA-N 2 0 304.434 2.538 20 0 DFADRP CC[N@H+](C)Cc1cccc(C[NH2+]C2CC(CC(=O)OC)C2)c1 ZINC000424296320 429121606 /nfs/dbraw/zinc/12/16/06/429121606.db2.gz FRBFBSQXDSQJSC-UHFFFAOYSA-N 2 0 304.434 2.570 20 0 DFADRP C[C@H]1CC2(C[N@@H+]1Cc1cnn(-c3ccccc3)c1)CC[NH2+]CC2 ZINC000424301082 429122796 /nfs/dbraw/zinc/12/27/96/429122796.db2.gz WYQHFCZQIIBYBX-INIZCTEOSA-N 2 0 310.445 2.836 20 0 DFADRP [NH3+]C[C@@H](CN1CCC[C@@H]([NH+]2CCCC2)CC1)c1ccc(F)cc1 ZINC000424302914 429123399 /nfs/dbraw/zinc/12/33/99/429123399.db2.gz MZCXACHOKVLGCJ-PKOBYXMFSA-N 2 0 319.468 2.818 20 0 DFADRP C[C@H]1CC2(C[N@@H+]1Cc1cccc(-n3cccn3)c1)CC[NH2+]CC2 ZINC000424298976 429123506 /nfs/dbraw/zinc/12/35/06/429123506.db2.gz VDBSTEIFIKTCAK-INIZCTEOSA-N 2 0 310.445 2.836 20 0 DFADRP COCCOc1cccc(C[N@@H+]2CC3(C[C@@H]2C)CC[NH2+]CC3)c1 ZINC000424377662 429130739 /nfs/dbraw/zinc/13/07/39/429130739.db2.gz MMYIAAQIYGFGBD-INIZCTEOSA-N 2 0 318.461 2.676 20 0 DFADRP COc1ccc(-c2ccncc2)cc1C[N@@H+]1C[C@@H](C[NH3+])C[C@@H]1C ZINC000435373662 429132729 /nfs/dbraw/zinc/13/27/29/429132729.db2.gz NWTLVTMBFNOKJE-LSDHHAIUSA-N 2 0 311.429 2.926 20 0 DFADRP COc1cc(C)c(C[C@H](C)[NH2+][C@@H]2CCCC[C@H]2[NH3+])cc1OC ZINC000424381738 429133903 /nfs/dbraw/zinc/13/39/03/429133903.db2.gz ZMNOSOLYEVVWJU-NUEKZKHPSA-N 2 0 306.450 2.803 20 0 DFADRP Cc1nn(-c2ccc(F)cc2F)c(C)c1C[N@@H+]1CC[C@@H](C[NH3+])C1 ZINC000435388660 429136476 /nfs/dbraw/zinc/13/64/76/429136476.db2.gz IIGUGSYINRQNCU-ZDUSSCGKSA-N 2 0 320.387 2.548 20 0 DFADRP Cc1cc(C[NH3+])cc(NC(=O)N(CC[NH+](C)C)C2CCCC2)c1 ZINC000424438852 429140963 /nfs/dbraw/zinc/14/09/63/429140963.db2.gz QRDVCFMADUKOLG-UHFFFAOYSA-N 2 0 318.465 2.792 20 0 DFADRP COc1cc(C[N@H+](C)[C@H]2CCC[NH2+]CC2)cc(Cl)c1OC ZINC000435448188 429141048 /nfs/dbraw/zinc/14/10/48/429141048.db2.gz TZHNSVDSIACZCT-ZDUSSCGKSA-N 2 0 312.841 2.931 20 0 DFADRP CC[C@H](C)NC(=O)[C@@H]1C[C@H](C)[N@H+](CCC[NH2+]C)[C@H]2CCCC[C@@H]12 ZINC000435873149 429168810 /nfs/dbraw/zinc/16/88/10/429168810.db2.gz BKETXGNSQBKDHM-TXTZMMAHSA-N 2 0 323.525 2.780 20 0 DFADRP C[NH2+]CCC[N@H+](C)CCCc1cc(-c2ccc(F)cc2)n[nH]1 ZINC000435876062 429169435 /nfs/dbraw/zinc/16/94/35/429169435.db2.gz GTUGFNCDIWYESI-UHFFFAOYSA-N 2 0 304.413 2.690 20 0 DFADRP C[NH2+]CCCN1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000435873898 429169498 /nfs/dbraw/zinc/16/94/98/429169498.db2.gz GRSISPLCVYANRY-LJQANCHMSA-N 2 0 301.478 2.584 20 0 DFADRP CC1CC[NH+](C2CCC([NH2+][C@H]3CCC(=O)NC3(C)C)CC2)CC1 ZINC000495081630 429177251 /nfs/dbraw/zinc/17/72/51/429177251.db2.gz HPLAVMYDLQLJRR-JCYILVPMSA-N 2 0 321.509 2.676 20 0 DFADRP O[C@H](C[NH2+][C@@H]1CC[C@@H](c2ccccc2)C1)C[NH+]1CCCCC1 ZINC000436278367 429194292 /nfs/dbraw/zinc/19/42/92/429194292.db2.gz DOSVPLDSGWZLBQ-GUDVDZBRSA-N 2 0 302.462 2.759 20 0 DFADRP C(NC1CC[NH+](C2CCCC2)CC1)[C@H]1CCCC[N@@H+]1C1CC1 ZINC000370083996 275394924 /nfs/dbraw/zinc/39/49/24/275394924.db2.gz SZLTXTYQYBMDBP-LJQANCHMSA-N 2 0 305.510 3.000 20 0 DFADRP C([C@H]1CC[N@@H+](CC2CCC3(CC2)OCCO3)C1)[NH+]1CCCCC1 ZINC000190251930 275397861 /nfs/dbraw/zinc/39/78/61/275397861.db2.gz BGDULTZUWZSBBV-GOSISDBHSA-N 2 0 322.493 2.728 20 0 DFADRP Cc1cc(N2CCC([N@@H+](C)C[C@H]3CC[C@@H](C)O3)CC2)nc(C)n1 ZINC000364488296 429212431 /nfs/dbraw/zinc/21/24/31/429212431.db2.gz AXZVNYYOSPULBV-RHSMWYFYSA-N 2 0 318.465 2.562 20 0 DFADRP CC[NH+](CC)CC(=O)N(CC[NH+]1CCCCCC1)C1CCC1 ZINC000488869253 429203304 /nfs/dbraw/zinc/20/33/04/429203304.db2.gz LBIWYVAGZZHZIZ-UHFFFAOYSA-N 2 0 309.498 2.585 20 0 DFADRP CC(=O)N1CCC([NH2+]C2CC[NH+]([C@H]3CCC[C@@H](C)C3)CC2)CC1 ZINC000359100218 275447875 /nfs/dbraw/zinc/44/78/75/275447875.db2.gz AJNLLFLNQZPNCD-BEFAXECRSA-N 2 0 321.509 2.630 20 0 DFADRP CCOC(=O)N1CCC([C@@H](C)[NH2+]CCC[NH+](CC)CC)CC1 ZINC000495658402 429240724 /nfs/dbraw/zinc/24/07/24/429240724.db2.gz OJGUMJMITLDNRL-OAHLLOKOSA-N 2 0 313.486 2.565 20 0 DFADRP [NH3+]CC[C@@H]1CCC[N@H+](Cc2cnn(-c3ccc(F)cc3)c2)C1 ZINC000442930092 429241237 /nfs/dbraw/zinc/24/12/37/429241237.db2.gz SPDOHWKPFGVSCF-AWEZNQCLSA-N 2 0 302.397 2.572 20 0 DFADRP C[N@H+](CCCCC(=O)OC(C)(C)C)C[C@@H]1CCc2nccn2C1 ZINC000364711121 429253287 /nfs/dbraw/zinc/25/32/87/429253287.db2.gz SIZNWLOLDVSNAG-HNNXBMFYSA-N 2 0 321.465 2.889 20 0 DFADRP C[NH+](C)[C@@H](CNC(=O)C[N@H+](C)C1(C)CCCC1)c1ccccc1 ZINC000489886493 429266715 /nfs/dbraw/zinc/26/67/15/429266715.db2.gz MTXGZOSUJMGNJB-KRWDZBQOSA-N 2 0 317.477 2.670 20 0 DFADRP CC1=CCC[C@H](C)[C@@H]1C[N@@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000364864505 429267964 /nfs/dbraw/zinc/26/79/64/429267964.db2.gz CVOHVJHZDFPRFQ-NMLBUPMWSA-N 2 0 319.537 2.937 20 0 DFADRP C[C@@H]1CCC[N@@H+]1C1CC[NH+](CC2CCC3(CC2)OCCO3)CC1 ZINC000365208324 429279542 /nfs/dbraw/zinc/27/95/42/429279542.db2.gz VTVHWMLVUHWALH-MRXNPFEDSA-N 2 0 322.493 2.868 20 0 DFADRP C[NH2+][C@@H](CC(C)(C)C)C(=O)NCCCC[N@@H+]1CCC[C@H](C)C1 ZINC000449085161 429327304 /nfs/dbraw/zinc/32/73/04/429327304.db2.gz KUWRCZVZSFDTKE-HOTGVXAUSA-N 2 0 311.514 2.639 20 0 DFADRP C[C@@H](Cc1ccccc1)[NH+]1CCC([NH2+]C[C@@H]2CCOC2)CC1 ZINC000449079990 429327904 /nfs/dbraw/zinc/32/79/04/429327904.db2.gz RSDPBJWXNZKXGQ-WMZOPIPTSA-N 2 0 302.462 2.708 20 0 DFADRP C[C@@H](Cc1coc2ccccc12)[NH2+]C[C@@H](O)C[NH+]1CCCCC1 ZINC000449089952 429328399 /nfs/dbraw/zinc/32/83/99/429328399.db2.gz FOWRSGGUCJJABK-DOTOQJQBSA-N 2 0 316.445 2.800 20 0 DFADRP C[C@@H]1C[N@@H+](CCCC[NH2+][C@H]2CCOC3(CCC3)C2)C[C@H](C)O1 ZINC000449104128 429332984 /nfs/dbraw/zinc/33/29/84/429332984.db2.gz UHZXTJWAPGRMPH-BBWFWOEESA-N 2 0 310.482 2.567 20 0 DFADRP NC(=O)[C@H]1CCC[N@H+](CCC[NH2+][C@H]2CCCC23CCCCC3)C1 ZINC000449137610 429341979 /nfs/dbraw/zinc/34/19/79/429341979.db2.gz YOMPFISXATWKQJ-IRXDYDNUSA-N 2 0 321.509 2.666 20 0 DFADRP CCC[C@H](O)C[NH2+]C1CC[NH+]([C@H](C)Cc2ccccc2)CC1 ZINC000449142682 429342242 /nfs/dbraw/zinc/34/22/42/429342242.db2.gz GNHZIMCUROKIGB-APWZRJJASA-N 2 0 304.478 2.833 20 0 DFADRP CC[C@@H]1C[N@H+](CC)CCN1C(=O)[C@H]1CC[NH+](C2CCCCC2)C1 ZINC000456368117 429290301 /nfs/dbraw/zinc/29/03/01/429290301.db2.gz DUDDMBVDPLGDIK-DLBZAZTESA-N 2 0 321.509 2.584 20 0 DFADRP CC(C)C[C@H](C)OC(=O)N(CC[NH+](C)C)C1CC[NH+](C)CC1 ZINC000495915996 429293189 /nfs/dbraw/zinc/29/31/89/429293189.db2.gz SHPYLMDIXKBKCC-HNNXBMFYSA-N 2 0 313.486 2.515 20 0 DFADRP CO[C@H](C[NH+]1CCC(CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1)C1CC1 ZINC000425427835 429294332 /nfs/dbraw/zinc/29/43/32/429294332.db2.gz VJISGACIGXXIFL-JTDSTZFVSA-N 2 0 324.509 2.623 20 0 DFADRP CC[C@H](CCO)[NH2+]C1CC[NH+]([C@H](C)Cc2ccccc2)CC1 ZINC000449162720 429346831 /nfs/dbraw/zinc/34/68/31/429346831.db2.gz STZVJLIWGBKMIJ-SJLPKXTDSA-N 2 0 304.478 2.833 20 0 DFADRP C[NH+](C)[C@@H]1CCC[N@H+](CCN2CCCc3ccccc32)CC1 ZINC000365404443 429313746 /nfs/dbraw/zinc/31/37/46/429313746.db2.gz PVVZEQWJRVKVLR-GOSISDBHSA-N 2 0 301.478 2.855 20 0 DFADRP CCC[NH2+][C@@H](C)C(=O)NCc1cccc(C[N@H+](C)C(C)C)c1 ZINC000449341148 429393165 /nfs/dbraw/zinc/39/31/65/429393165.db2.gz YAKOUGUNWOQWHL-HNNXBMFYSA-N 2 0 305.466 2.531 20 0 DFADRP CC[NH+]1CCN(c2ccccc2C[NH2+]CCC(C)(F)F)CC1 ZINC000449355044 429395930 /nfs/dbraw/zinc/39/59/30/429395930.db2.gz USAKZJMBKBNNML-UHFFFAOYSA-N 2 0 311.420 2.963 20 0 DFADRP CC(C)CN(CC[NH+](C)C)C(=O)C1(C[NH+](C)C)CCCCC1 ZINC000426492077 429398199 /nfs/dbraw/zinc/39/81/99/429398199.db2.gz NGJLAXBPZJNLOT-UHFFFAOYSA-N 2 0 311.514 2.545 20 0 DFADRP CC(C)n1ccnc1CN(C)C1CCN(c2ccccn2)CC1 ZINC000365911720 429401406 /nfs/dbraw/zinc/40/14/06/429401406.db2.gz LODXEOZZVHJXEQ-UHFFFAOYSA-N 2 0 313.449 2.960 20 0 DFADRP c1ccc(C[N@H+]2C[C@H]3CC[C@@H]([NH2+]CC4=CCOCC4)[C@@H]3C2)cc1 ZINC000449402732 429405160 /nfs/dbraw/zinc/40/51/60/429405160.db2.gz NDBMAXUSWHFTHN-VAMGGRTRSA-N 2 0 312.457 2.833 20 0 DFADRP c1c(C[NH2+]C[C@@H]2CCc3ccccc32)onc1C1CC[NH2+]CC1 ZINC000425899759 429350023 /nfs/dbraw/zinc/35/00/23/429350023.db2.gz MHUIIEITSNOMGV-INIZCTEOSA-N 2 0 311.429 2.961 20 0 DFADRP CC[C@@H]([NH2+]CC1CC[NH+](CC(=O)NC(C)(C)C)CC1)C1CCC1 ZINC000449175774 429351358 /nfs/dbraw/zinc/35/13/58/429351358.db2.gz KVOMCVJQLKTKGU-QGZVFWFLSA-N 2 0 323.525 2.781 20 0 DFADRP O[C@@H]1CCCC[C@@H]1CCC[NH2+]Cc1cc(C2CC[NH2+]CC2)no1 ZINC000425897982 429351618 /nfs/dbraw/zinc/35/16/18/429351618.db2.gz XBJQBZRMQJVBNH-CRAIPNDOSA-N 2 0 321.465 2.563 20 0 DFADRP C[C@H](CCCO)[NH2+]C1CC[NH+]([C@@H](C)Cc2ccccc2)CC1 ZINC000449184002 429352020 /nfs/dbraw/zinc/35/20/20/429352020.db2.gz FDFIRECTZPLFIQ-SJORKVTESA-N 2 0 304.478 2.833 20 0 DFADRP CC(C)C[N@H+](CC(=O)NC1CC[NH+](C(C)C)CC1)C1CCCC1 ZINC000511616579 429357291 /nfs/dbraw/zinc/35/72/91/429357291.db2.gz NPHPTPHSVWUUOY-UHFFFAOYSA-N 2 0 323.525 2.876 20 0 DFADRP CC1=C[C@H](C)C[C@@H](C[NH+]2CCN([C@H]3CCC[N@H+](C)C3)CC2)C1 ZINC000365665254 429358107 /nfs/dbraw/zinc/35/81/07/429358107.db2.gz FHELSSZFIBMOPX-UHOSZYNNSA-N 2 0 305.510 2.691 20 0 DFADRP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+]CCc2cnccn2)CC1 ZINC000449208711 429358324 /nfs/dbraw/zinc/35/83/24/429358324.db2.gz SWBGRHLTGZWIGY-QGZVFWFLSA-N 2 0 324.472 2.704 20 0 DFADRP C[C@@H](Cc1ccccc1)[NH+]1CCC(NCC[NH+]2CCCC2)CC1 ZINC000449218777 429362123 /nfs/dbraw/zinc/36/21/23/429362123.db2.gz KQKPBBAMZYNVSO-SFHVURJKSA-N 2 0 315.505 2.767 20 0 DFADRP C[C@H](Cc1ccccc1)[NH+]1CCC(NC[C@H](C)[NH+](C)C)CC1 ZINC000449228171 429362793 /nfs/dbraw/zinc/36/27/93/429362793.db2.gz XREOXJBQZOONQW-SJORKVTESA-N 2 0 303.494 2.622 20 0 DFADRP CC(C)(C)CC(C)(C)[NH+]1CCC([NH2+]CCCOCCO)CC1 ZINC000449229482 429363308 /nfs/dbraw/zinc/36/33/08/429363308.db2.gz BGWBENJQSLBUJP-UHFFFAOYSA-N 2 0 314.514 2.654 20 0 DFADRP C[C@H](O)C[C@H](C)[NH2+]C1CC[NH+]([C@@H](C)Cc2ccccc2)CC1 ZINC000449233232 429363364 /nfs/dbraw/zinc/36/33/64/429363364.db2.gz KQDIOKFFZWSGNH-ULQDDVLXSA-N 2 0 304.478 2.831 20 0 DFADRP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+][C@@H]2C[C@H](O)C2(C)C)CC1 ZINC000449256016 429368156 /nfs/dbraw/zinc/36/81/56/429368156.db2.gz BMQRKJBKAJAYLN-LZQZEXGQSA-N 2 0 316.489 2.831 20 0 DFADRP C[C@H](C[NH2+]Cc1ccc(OC[C@H]2CCCO2)cc1)C[NH+](C)C ZINC000491591752 429377225 /nfs/dbraw/zinc/37/72/25/429377225.db2.gz OABLCYSNWJBRTQ-CRAIPNDOSA-N 2 0 306.450 2.532 20 0 DFADRP C[C@@H]1CCC[N@H+](CCCCNC(=O)C[C@@H]2CCCC[C@@H]2[NH3+])C1 ZINC000449326208 429388498 /nfs/dbraw/zinc/38/84/98/429388498.db2.gz TVMFUEPNFZBWTP-IKGGRYGDSA-N 2 0 309.498 2.522 20 0 DFADRP CCOC(=O)C1([C@@H](C)[NH2+]C[C@H]2CC3CCC2CC3)CC[NH2+]CC1 ZINC000519156869 429450223 /nfs/dbraw/zinc/45/02/23/429450223.db2.gz WAVIPLMAGIONJO-RDHHWEPZSA-N 2 0 322.493 2.724 20 0 DFADRP Cc1ccc(C[N@@H+]2CC[C@@]3(CC[NH+](C)C3)C2)c(-c2ccnn2C)c1 ZINC000366488414 429462049 /nfs/dbraw/zinc/46/20/49/429462049.db2.gz IUTJELNKJVMSFV-HXUWFJFHSA-N 2 0 324.472 2.923 20 0 DFADRP C[N@@H+]1CC[C@]2(CCN(Cc3cnc([C@@H]4CCCO4)s3)C2)C1 ZINC000366489142 429462664 /nfs/dbraw/zinc/46/26/64/429462664.db2.gz KIFCDQVGQTWPDT-HOCLYGCPSA-N 2 0 307.463 2.522 20 0 DFADRP CCCC[N@H+](C)C[C@@H](C)NC(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC000426771339 429416311 /nfs/dbraw/zinc/41/63/11/429416311.db2.gz BAFYVEXLRMXTPL-IAGOWNOFSA-N 2 0 311.514 2.734 20 0 DFADRP CC(C)[N@@H+](C)C[C@H](C)NC(=O)[C@H]1CCCC[NH+]1C1CCCC1 ZINC000426790884 429416741 /nfs/dbraw/zinc/41/67/41/429416741.db2.gz BXEQHDUWTHHHGB-DOTOQJQBSA-N 2 0 309.498 2.628 20 0 DFADRP C[N@H+](C[C@@H](O)CNc1ccc(Oc2ccncc2)cc1)C1CC1 ZINC000518365128 429419736 /nfs/dbraw/zinc/41/97/36/429419736.db2.gz BYZPQBYHGXPYSK-INIZCTEOSA-N 2 0 313.401 2.741 20 0 DFADRP C[C@@H]1C[N@@H+]2CCCC[C@@H]2CN1C(=O)C1(C[NH+](C)C)CCCCC1 ZINC000426887318 429422403 /nfs/dbraw/zinc/42/24/03/429422403.db2.gz VCJQUVRHNGDXGH-IAGOWNOFSA-N 2 0 321.509 2.584 20 0 DFADRP C[C@@H](O)c1cnc(CN2CC[C@@H](CNc3ccccn3)C2)s1 ZINC000366137934 429424420 /nfs/dbraw/zinc/42/44/20/429424420.db2.gz QCFHOLQSEXCFAZ-OLZOCXBDSA-N 2 0 318.446 2.525 20 0 DFADRP CO[C@@H]1COCC[C@@H]1C[NH2+]C1CC[NH+]([C@H]2CCC[C@H](C)C2)CC1 ZINC000449462485 429424596 /nfs/dbraw/zinc/42/45/96/429424596.db2.gz VHTUOSKRJPMMFP-OGWHTMIXSA-N 2 0 324.509 2.671 20 0 DFADRP C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)C1(C[NH+](C)C)CCCCC1 ZINC000426928516 429424866 /nfs/dbraw/zinc/42/48/66/429424866.db2.gz IWPVXDKARYRQHN-INIZCTEOSA-N 2 0 323.525 2.687 20 0 DFADRP CCO[C@H]1CC[N@H+](Cc2cn(-c3cc[nH+]cc3)nc2C)C[C@H]1C ZINC000449503749 429436501 /nfs/dbraw/zinc/43/65/01/429436501.db2.gz PTYCQPCTXIIZGL-KDOFPFPSSA-N 2 0 314.433 2.823 20 0 DFADRP CCO[C@@H]1CC[N@H+](Cc2cn(-c3cc[nH+]cc3)nc2C)C[C@@H]1C ZINC000449503748 429436975 /nfs/dbraw/zinc/43/69/75/429436975.db2.gz PTYCQPCTXIIZGL-KBXCAEBGSA-N 2 0 314.433 2.823 20 0 DFADRP CCc1cc(N2CC[NH+]([C@H]3CCOC3)CC2)c2ccccc2[nH+]1 ZINC000366858771 429528021 /nfs/dbraw/zinc/52/80/21/429528021.db2.gz XNUAKTKEIXSTBF-INIZCTEOSA-N 2 0 311.429 2.708 20 0 DFADRP C[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+][C@H]2CCn3ccnc3C2)CC1 ZINC000427873368 429475845 /nfs/dbraw/zinc/47/58/45/429475845.db2.gz KVVWIVGNZGQTKK-NJAFHUGGSA-N 2 0 316.493 2.831 20 0 DFADRP CC(C)C[N@@H+]1CCCC[C@H]1CNC(=O)C1CC[NH+](C(C)C)CC1 ZINC000427935924 429478016 /nfs/dbraw/zinc/47/80/16/429478016.db2.gz ZYPDALNUEUXJSL-SFHVURJKSA-N 2 0 323.525 2.734 20 0 DFADRP C[C@@H]1CCCC[N@@H+]1CCC1CCN(C(=O)/C=C\C[NH+](C)C)CC1 ZINC000492162825 429479964 /nfs/dbraw/zinc/47/99/64/429479964.db2.gz UJYDQOXFRDJKAX-BQLWYNFJSA-N 2 0 321.509 2.607 20 0 DFADRP C[C@H]([NH2+]C[C@H](O)C1CCC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000449738425 429492789 /nfs/dbraw/zinc/49/27/89/429492789.db2.gz BSGCKLKVMPGWCN-IPELMVKDSA-N 2 0 302.462 2.648 20 0 DFADRP CC[NH+]1CCN(CC(C)(C)[NH2+]C[C@H]2C[C@H]2c2ccccc2)CC1 ZINC000449744972 429494767 /nfs/dbraw/zinc/49/47/67/429494767.db2.gz KKTVSRHMZNVANZ-MOPGFXCFSA-N 2 0 315.505 2.796 20 0 DFADRP CCC[NH+]1CCC([N@H+](C)CCN2CCc3ccccc32)CC1 ZINC000428230477 429500743 /nfs/dbraw/zinc/50/07/43/429500743.db2.gz PDIBPNLZZAGMEJ-UHFFFAOYSA-N 2 0 301.478 2.855 20 0 DFADRP CC(C)N(C(=O)[C@@H](C)N1CCC([N@@H+]2CCC[C@H]2C)CC1)C(C)C ZINC000366733021 429502616 /nfs/dbraw/zinc/50/26/16/429502616.db2.gz QPSFDDVOYONNRK-IAGOWNOFSA-N 2 0 323.525 2.969 20 0 DFADRP COC[C@H]1CCC[N@H+](Cc2cn(-c3cc[nH+]cc3)nc2C)CC1 ZINC000449770653 429504068 /nfs/dbraw/zinc/50/40/68/429504068.db2.gz DHGHZZGLVNXWKR-INIZCTEOSA-N 2 0 314.433 2.824 20 0 DFADRP CC[N@@H+]1CC[C@H]([NH+](C)CCN2CCc3ccccc32)C[C@@H]1C ZINC000428237444 429504080 /nfs/dbraw/zinc/50/40/80/429504080.db2.gz MVVFHMVCHXXQSJ-WMZOPIPTSA-N 2 0 301.478 2.854 20 0 DFADRP CC[N@@H+]1CC[C@H]([NH+](C)CCN2CCc3ccccc32)C[C@H]1C ZINC000428237439 429504610 /nfs/dbraw/zinc/50/46/10/429504610.db2.gz MVVFHMVCHXXQSJ-AEFFLSMTSA-N 2 0 301.478 2.854 20 0 DFADRP COCC1(C[NH2+][C@@H]2CCCc3c(OC)cccc32)CC[NH2+]CC1 ZINC000520394114 429512433 /nfs/dbraw/zinc/51/24/33/429512433.db2.gz JIALYAQMNGSPOV-QGZVFWFLSA-N 2 0 318.461 2.678 20 0 DFADRP CC[NH+](CC)C[C@@H]1CCN(C[C@@H](C)NC(=O)OC(C)(C)C)C1 ZINC000492440801 429538490 /nfs/dbraw/zinc/53/84/90/429538490.db2.gz YDWMPTNQEGBZTL-CABCVRRESA-N 2 0 313.486 2.563 20 0 DFADRP CC(C)[NH+](CCNC(=O)CC[N@H+](C)C1CCCCC1)C(C)C ZINC000521141411 429540127 /nfs/dbraw/zinc/54/01/27/429540127.db2.gz JMRGOMRYONGRGX-UHFFFAOYSA-N 2 0 311.514 2.876 20 0 DFADRP C[N@H+](C[C@H]1CC12CC[NH+](Cc1nccn1C(F)F)CC2)C1CC1 ZINC000367307972 429616079 /nfs/dbraw/zinc/61/60/79/429616079.db2.gz AMVYLRQNPWOZJB-CYBMUJFWSA-N 2 0 324.419 2.975 20 0 DFADRP CC[NH+](CC)CCOC1CC[NH+](CC2CC(F)(F)C2)CC1 ZINC000450450834 429630254 /nfs/dbraw/zinc/63/02/54/429630254.db2.gz HPGXJSLBMXSKCB-UHFFFAOYSA-N 2 0 304.425 2.855 20 0 DFADRP CC[N@@H+]1CC[C@H]([NH+](C)C[C@H](O)[C@@H](C)c2ccccc2)[C@@H](C)C1 ZINC000450561258 429648686 /nfs/dbraw/zinc/64/86/86/429648686.db2.gz GXKOTHYEMZXSQC-CAMMJAKZSA-N 2 0 304.478 2.813 20 0 DFADRP C[C@@H]1CC(C[NH2+][C@@H]2CC[N@H+](C[C@@H]3CCCO3)C[C@H]2C)C[C@@H](C)O1 ZINC000367183375 429593394 /nfs/dbraw/zinc/59/33/94/429593394.db2.gz CHIQXZXLTDAEIB-LLLOQXOTSA-N 2 0 324.509 2.669 20 0 DFADRP C[C@@H](c1ccccc1)[C@H](O)C[NH+]1CCC(CC[NH+](C)C)CC1 ZINC000450290334 429593667 /nfs/dbraw/zinc/59/36/67/429593667.db2.gz UCXFFNDZVJOXCT-QFBILLFUSA-N 2 0 304.478 2.815 20 0 DFADRP CCc1ccc2[nH+]ccc(N3CC[NH+](C[C@@H](O)CC)CC3)c2c1 ZINC000450341628 429604680 /nfs/dbraw/zinc/60/46/80/429604680.db2.gz LOZBPGCIAHNDCV-INIZCTEOSA-N 2 0 313.445 2.690 20 0 DFADRP C[C@@H]1C[N@@H+](CC2CC[NH+](CC3CC(F)(F)C3)CC2)C[C@H](C)O1 ZINC000450340406 429605146 /nfs/dbraw/zinc/60/51/46/429605146.db2.gz FLJVERLCNLKFKL-OKILXGFUSA-N 2 0 316.436 2.853 20 0 DFADRP CCc1ccc2[nH+]ccc(N3CC[NH+]([C@@H](CC)CO)CC3)c2c1 ZINC000450362740 429610442 /nfs/dbraw/zinc/61/04/42/429610442.db2.gz SINLJHWLYMBOEJ-INIZCTEOSA-N 2 0 313.445 2.690 20 0 DFADRP C[C@@H]([NH3+])c1ccc(CNC(=O)[C@H](C)[NH+]2CCCCCC2)cc1 ZINC000429485639 429611296 /nfs/dbraw/zinc/61/12/96/429611296.db2.gz UFVCEVHAYIYVBX-CABCVRRESA-N 2 0 303.450 2.587 20 0 DFADRP CCC[C@@H]1[C@H](C)CCC[N@@H+]1CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000362364787 276034631 /nfs/dbraw/zinc/03/46/31/276034631.db2.gz VHFYZVINPFZOCP-CRAIPNDOSA-N 2 0 321.509 2.630 20 0 DFADRP CCOC1CC(C[NH+]2CCC(C[NH+]3C[C@@H](C)O[C@H](C)C3)CC2)C1 ZINC000367553180 429668835 /nfs/dbraw/zinc/66/88/35/429668835.db2.gz LSPAILLDPWVDTI-FDCMFXBMSA-N 2 0 324.509 2.623 20 0 DFADRP CC(C)[NH+]1CCC(N2CC[NH+](CC3CC(F)(F)C3)CC2)CC1 ZINC000450583229 429653426 /nfs/dbraw/zinc/65/34/26/429653426.db2.gz ISDUZXQEGGOTFL-UHFFFAOYSA-N 2 0 315.452 2.522 20 0 DFADRP CCc1cc(CCC[N@@H+]2CC[C@@H](C)[C@@H](n3ccnc3)C2)on1 ZINC000450586184 429655141 /nfs/dbraw/zinc/65/51/41/429655141.db2.gz BJGVUVZRIUZSAT-PBHICJAKSA-N 2 0 302.422 2.949 20 0 DFADRP CC[NH+](CC)C[C@@H]1CC[N@H+](CCc2nc3ccccc3n2C)C1 ZINC000266642826 276106415 /nfs/dbraw/zinc/10/64/15/276106415.db2.gz VAOHKPXXQFTTOM-INIZCTEOSA-N 2 0 314.477 2.780 20 0 DFADRP CC[NH+](CC)C[C@H]1CC[N@H+](CCc2ccc3c(c2)CCO3)C1 ZINC000076002691 276109469 /nfs/dbraw/zinc/10/94/69/276109469.db2.gz KPZNQLHOPVTTGQ-QGZVFWFLSA-N 2 0 302.462 2.828 20 0 DFADRP CC[NH+](CC)Cc1ccccc1C[NH2+][C@@H]1CC[N@H+](C)C[C@H]1C ZINC000359799669 276110744 /nfs/dbraw/zinc/11/07/44/276110744.db2.gz NACFLYWGMPKBOB-VQIMIIECSA-N 3 0 303.494 2.958 20 0 DFADRP C[N@H+](Cc1ccccc1)CC(C)(C)C[NH2+]C[C@@H]1[C@H]2COC[C@H]21 ZINC000367572395 429673035 /nfs/dbraw/zinc/67/30/35/429673035.db2.gz DRZNJSNFWWSLJZ-NNZMDNLPSA-N 2 0 302.462 2.627 20 0 DFADRP CC1=C[C@H](C)C[C@@H](C[N@@H+]2CCC[C@@H](CN3CC[NH+](C)CC3)C2)C1 ZINC000378126019 276185072 /nfs/dbraw/zinc/18/50/72/276185072.db2.gz AARGBPUSSBRYQQ-YSIASYRMSA-N 2 0 319.537 2.938 20 0 DFADRP CCC(C)(C)[NH2+][C@@H](C)C(=O)NC[C@@H]1CCCC[N@@H+]1CC(C)C ZINC000357629165 276206942 /nfs/dbraw/zinc/20/69/42/276206942.db2.gz DLHCAKAKZWVCEQ-HOTGVXAUSA-N 2 0 311.514 2.780 20 0 DFADRP CC[N@@H+]1CC[C@@H](NC2CC[NH+](CC3CCCC3)CC2)[C@@H](C)C1 ZINC000246872479 276216716 /nfs/dbraw/zinc/21/67/16/276216716.db2.gz CPMDHLSJCNPICF-QFBILLFUSA-N 2 0 307.526 2.961 20 0 DFADRP CC[N@@H+]1CC[C@H]([NH+](C)CCC(=O)Nc2ccccc2F)C[C@@H]1C ZINC000354211858 276224459 /nfs/dbraw/zinc/22/44/59/276224459.db2.gz YPRYQLCKPIILQE-GJZGRUSLSA-N 2 0 321.440 2.959 20 0 DFADRP C[NH+](C)Cc1cccc(C[NH2+][C@@H]2CC[N@H+](C)[C@H]3CCC[C@@H]32)c1 ZINC000367623259 429686169 /nfs/dbraw/zinc/68/61/69/429686169.db2.gz VJILDOXWKVEMTE-QRVBRYPASA-N 3 0 301.478 2.711 20 0 DFADRP COc1ccc(CC[NH2+][C@@H]2CC[N@H+](C)[C@@H]3CCC[C@H]32)cc1OC ZINC000367614381 429686441 /nfs/dbraw/zinc/68/64/41/429686441.db2.gz GYLUXQHLJRBGNM-GVDBMIGSSA-N 2 0 318.461 2.709 20 0 DFADRP C[N@@H+]1CC[C@H]([NH2+]Cc2cnn(Cc3ccccc3)c2)[C@H]2CCC[C@H]21 ZINC000367624630 429687409 /nfs/dbraw/zinc/68/74/09/429687409.db2.gz WJDHYFBHFCSLAU-HSALFYBXSA-N 2 0 324.472 2.894 20 0 DFADRP CC[NH+](CC)Cc1cccc(C[NH2+][C@H](C)C(=O)N(C)C(C)C)c1 ZINC000177430461 276335041 /nfs/dbraw/zinc/33/50/41/276335041.db2.gz OJDZFVWJNIQJSD-MRXNPFEDSA-N 2 0 319.493 2.873 20 0 DFADRP CC(=O)c1ccc(NC(=O)CC[N@@H+](C)CC[C@H]([NH3+])C(C)C)cc1 ZINC000430586683 429696301 /nfs/dbraw/zinc/69/63/01/429696301.db2.gz WZXBYKNXFVFIAX-KRWDZBQOSA-N 2 0 319.449 2.523 20 0 DFADRP CCCC[NH+]1CCC(NC(=O)C2C[C@H]3CCC[C@@H](C2)C3[NH3+])CC1 ZINC000367689142 429699908 /nfs/dbraw/zinc/69/99/08/429699908.db2.gz ORARVYSPQZCKHB-SFYZZRBRSA-N 2 0 321.509 2.521 20 0 DFADRP [NH3+]CC1CC[NH+](CC(=O)Nc2ccccc2-c2ccccc2)CC1 ZINC000430609192 429700602 /nfs/dbraw/zinc/70/06/02/429700602.db2.gz HHFJUMSAFVNONC-UHFFFAOYSA-N 2 0 323.440 2.963 20 0 DFADRP CCc1nn(C)c(CC)c1C[N@@H+]1CC[C@@H](C2CC[NH+](C)CC2)C1 ZINC000367689732 429701195 /nfs/dbraw/zinc/70/11/95/429701195.db2.gz RZZAKSGVHQCPEF-MRXNPFEDSA-N 2 0 318.509 2.709 20 0 DFADRP CC[C@@H](NC(=O)C[NH+]1CCC(C[NH3+])CC1)c1ccc(Cl)cc1 ZINC000430606759 429701406 /nfs/dbraw/zinc/70/14/06/429701406.db2.gz WIRHYIMCXYQIQT-MRXNPFEDSA-N 2 0 323.868 2.578 20 0 DFADRP C([NH+]1CCC[C@H]1C1CC1)C1(C[N@@H+]2CCC[C@H]2C2CC2)COC1 ZINC000367794168 429718256 /nfs/dbraw/zinc/71/82/56/429718256.db2.gz KYPPRJKTQGFDON-ROUUACIJSA-N 2 0 304.478 2.752 20 0 DFADRP CCC[C@@H]([NH2+]CCC[N@@H+]1CCC[C@@H](C(N)=O)C1)C1CCCCC1 ZINC000482549050 429726858 /nfs/dbraw/zinc/72/68/58/429726858.db2.gz CAGSUESIXXGSAC-QZTJIDSGSA-N 2 0 323.525 2.912 20 0 DFADRP CC(C)C[N@@H+]1CC[C@@H](CNc2cc[nH+]cc2-c2cccnc2)C1 ZINC000367844452 429727189 /nfs/dbraw/zinc/72/71/89/429727189.db2.gz XBGDFJISKDONSR-INIZCTEOSA-N 2 0 310.445 2.955 20 0 DFADRP [NH3+]C[C@H]1CC[N@H+](CCCOc2cccc(C(F)(F)F)c2)C1 ZINC000430965735 429731402 /nfs/dbraw/zinc/73/14/02/429731402.db2.gz LKLBQDVDRHWCBB-GFCCVEGCSA-N 2 0 302.340 2.755 20 0 DFADRP C[C@H]([NH3+])C1CC[NH+]([C@H]2CCN(c3ccc(Cl)cc3)C2=O)CC1 ZINC000430968981 429731534 /nfs/dbraw/zinc/73/15/34/429731534.db2.gz ZYJICRUFBSSIPK-LRDDRELGSA-N 2 0 321.852 2.505 20 0 DFADRP COC(=O)C(C)(C)CC[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000527238191 429735357 /nfs/dbraw/zinc/73/53/57/429735357.db2.gz AJABWLQYLXGGOV-UHFFFAOYSA-N 2 0 310.482 2.962 20 0 DFADRP CC(C)([NH3+])c1noc(C[N@@H+]2CCCC[C@@H]2Cc2ccccc2)n1 ZINC000431073134 429739528 /nfs/dbraw/zinc/73/95/28/429739528.db2.gz ILCZFPGJCHQLBR-OAHLLOKOSA-N 2 0 314.433 2.861 20 0 DFADRP C[NH+]1CCC([C@@H]2CC[N@H+](Cc3cnc(C(C)(C)C)nc3)C2)CC1 ZINC000368131582 429795912 /nfs/dbraw/zinc/79/59/12/429795912.db2.gz ATLNZIXJKKMBRL-QGZVFWFLSA-N 2 0 316.493 2.938 20 0 DFADRP Cn1cc(C[N@@H+]2CC[C@@H](C3CC[NH+](C)CC3)C2)c(C(C)(C)C)n1 ZINC000368136405 429796466 /nfs/dbraw/zinc/79/64/66/429796466.db2.gz UTIIJTATPCMKMT-MRXNPFEDSA-N 2 0 318.509 2.881 20 0 DFADRP COc1cc(C[N@@H+]2CC[C@H](C3CC[NH+](C)CC3)C2)ccc1O ZINC000368137202 429797026 /nfs/dbraw/zinc/79/70/26/429797026.db2.gz YEKDLIFLNZIHJS-INIZCTEOSA-N 2 0 304.434 2.565 20 0 DFADRP CCO[C@@H]1C[C@H]([NH2+]C2CC[NH+]([C@@H]3CCC[C@@H](C)C3)CC2)[C@@H]1OC ZINC000361157432 276479387 /nfs/dbraw/zinc/47/93/87/276479387.db2.gz WNIMDHOBKCYUEV-FTWQHDNSSA-N 2 0 324.509 2.812 20 0 DFADRP Cc1cnn(C)c1CN1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000367955264 429752528 /nfs/dbraw/zinc/75/25/28/429752528.db2.gz BBIWMINIIHEBMT-RBUKOAKNSA-N 2 0 324.472 2.682 20 0 DFADRP C[C@@H]([NH2+]Cc1cccc(C(=O)NCC[NH+](C)C)c1)[C@@H]1CC1(C)C ZINC000486943352 429755045 /nfs/dbraw/zinc/75/50/45/429755045.db2.gz WKOXDQUVPANDTE-PBHICJAKSA-N 2 0 317.477 2.502 20 0 DFADRP C[C@H]1CCC[C@@H]([NH2+]C[C@@H]2CCCN(C)[C@H]2c2ccnn2C)C1 ZINC000486954318 429756659 /nfs/dbraw/zinc/75/66/59/429756659.db2.gz JLOLLFMMKPAJOP-LISAXSMJSA-N 2 0 304.482 2.971 20 0 DFADRP Cn1c2cc(F)ccc2nc1N1CCC[C@@H]2C[N@H+](C)CC[C@H]21 ZINC000431407125 429758811 /nfs/dbraw/zinc/75/88/11/429758811.db2.gz XMVJPPGFHXTCRP-IUODEOHRSA-N 2 0 302.397 2.633 20 0 DFADRP C[C@@H]([NH2+]C1CCN(C2CC[NH+](C)CC2)CC1)[C@@H]1C[C@H]1C1CC1 ZINC000527650585 429773480 /nfs/dbraw/zinc/77/34/80/429773480.db2.gz QMYMOAOYHSLGDF-CCKFTAQKSA-N 2 0 305.510 2.569 20 0 DFADRP C[C@H](CNC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1)C[NH+]1CCCC1 ZINC000431724963 429779098 /nfs/dbraw/zinc/77/90/98/429779098.db2.gz XWCMKKKYDIZSOR-AEFFLSMTSA-N 2 0 321.509 2.632 20 0 DFADRP c1nc2c([nH]1)C[C@H]([NH2+]C1CC[NH+](C3CCCCC3)CC1)CC2 ZINC000368087854 429784999 /nfs/dbraw/zinc/78/49/99/429784999.db2.gz COMBUKOILPVRAM-OAHLLOKOSA-N 2 0 302.466 2.654 20 0 DFADRP COc1cccc([C@H](C[NH2+][C@@H]2C[C@@H](C)[N@H+](C)C[C@@H]2C)OC)c1 ZINC000527919718 429819545 /nfs/dbraw/zinc/81/95/45/429819545.db2.gz JQVYFAOVYUTYKV-JFTQMJAMSA-N 2 0 306.450 2.701 20 0 DFADRP CC1(C[NH+]2CCOCC2)CC[NH+]([C@H]2C[C@@H]2c2ccccc2)CC1 ZINC000368283917 429823770 /nfs/dbraw/zinc/82/37/70/429823770.db2.gz ZMJFOEYZBNAQRG-MOPGFXCFSA-N 2 0 314.473 2.977 20 0 DFADRP CC[NH+]1CCC([NH2+]CCc2cccc3c2OC(F)(F)O3)CC1 ZINC000527943748 429824221 /nfs/dbraw/zinc/82/42/21/429824221.db2.gz BTADYPBHBFUOER-UHFFFAOYSA-N 2 0 312.360 2.625 20 0 DFADRP C[C@H]1C[C@@H]([NH2+]CCc2cccc3c2OC(F)(F)O3)CC[N@@H+]1C ZINC000527943690 429824502 /nfs/dbraw/zinc/82/45/02/429824502.db2.gz BHWPUQUYEHZGEC-AAEUAGOBSA-N 2 0 312.360 2.623 20 0 DFADRP OC1CC(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@H]3CCC[C@H]32)C1 ZINC000528019864 429837357 /nfs/dbraw/zinc/83/73/57/429837357.db2.gz UPBGDUFBYCPOKQ-VWAQSERHSA-N 2 0 314.473 2.790 20 0 DFADRP OC1CC(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@H]3CCC[C@@H]32)C1 ZINC000528019870 429837744 /nfs/dbraw/zinc/83/77/44/429837744.db2.gz UPBGDUFBYCPOKQ-WKXIVMOISA-N 2 0 314.473 2.790 20 0 DFADRP c1ccc(C[N@H+]2C[C@@H]3CCC[C@@H]([NH2+]CC4COC4)[C@@H]3C2)cc1 ZINC000528027403 429839461 /nfs/dbraw/zinc/83/94/61/429839461.db2.gz SWKDCIZXVIDWIB-IPMKNSEASA-N 2 0 300.446 2.523 20 0 DFADRP Cc1[nH+]ccc(N2CCC(C)([NH+]3CCOCC3)CC2)c1Cl ZINC000528188479 429858835 /nfs/dbraw/zinc/85/88/35/429858835.db2.gz DQHHSQRYDJLALT-UHFFFAOYSA-N 2 0 309.841 2.735 20 0 DFADRP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@@H+]2CCCCC1CCOCC1 ZINC000368530469 429862435 /nfs/dbraw/zinc/86/24/35/429862435.db2.gz MRWZXLUFPBHUTA-CEXWTWQISA-N 2 0 324.509 2.767 20 0 DFADRP CS[C@@H]1CN(c2cc[nH+]cc2-c2cccnc2)C[C@H]1[NH+](C)C ZINC000368543111 429863938 /nfs/dbraw/zinc/86/39/38/429863938.db2.gz GBYSTQZHHGYIDI-IAGOWNOFSA-N 2 0 314.458 2.625 20 0 DFADRP C[C@H]([NH2+]CCc1ccc(OCC[NH+](C)C)cc1)[C@H]1CC12CC2 ZINC000527857985 429810514 /nfs/dbraw/zinc/81/05/14/429810514.db2.gz GHBVYLBOCKHCSY-MAUKXSAKSA-N 2 0 302.462 2.948 20 0 DFADRP C[C@@H]([NH2+]CCc1ccc(OCC[NH+](C)C)cc1)[C@H]1CC12CC2 ZINC000527857984 429810766 /nfs/dbraw/zinc/81/07/66/429810766.db2.gz GHBVYLBOCKHCSY-CRAIPNDOSA-N 2 0 302.462 2.948 20 0 DFADRP C[C@H]([NH2+]Cc1ccccc1C[N@@H+]1CC[C@@H](O)C1)[C@@H]1CC12CC2 ZINC000527886536 429814256 /nfs/dbraw/zinc/81/42/56/429814256.db2.gz KYJLESPCABVMNC-QGTPRVQTSA-N 2 0 300.446 2.531 20 0 DFADRP Cc1ccc(C[NH+]2CCC(C)(C[NH+]3CCOCC3)CC2)c(C)n1 ZINC000368636448 429882041 /nfs/dbraw/zinc/88/20/41/429882041.db2.gz SCBMTAOOKBWGNS-UHFFFAOYSA-N 2 0 317.477 2.633 20 0 DFADRP CC[N@H+](C)C[C@@H]1CC[NH+](C[C@H](Cc2ccc(F)cc2)OC)C1 ZINC000528399056 429885299 /nfs/dbraw/zinc/88/52/99/429885299.db2.gz QXWITSIBNIGACW-WMZOPIPTSA-N 2 0 308.441 2.657 20 0 DFADRP CC[N@H+](C)C[C@H]1CC[NH+](C[C@H](Cc2ccc(F)cc2)OC)C1 ZINC000528399047 429885604 /nfs/dbraw/zinc/88/56/04/429885604.db2.gz QXWITSIBNIGACW-AEFFLSMTSA-N 2 0 308.441 2.657 20 0 DFADRP Cc1nn(C(C)C)cc1CN1C[C@@H]2C[N@@H+]3CCCC[C@H]3[C@@H]2C1 ZINC000369186891 429917808 /nfs/dbraw/zinc/91/78/08/429917808.db2.gz GCDOVHCYHSJNFJ-KURKYZTESA-N 2 0 302.466 2.689 20 0 DFADRP CC[C@H](c1ccccc1)[NH+]1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000369352755 429928070 /nfs/dbraw/zinc/92/80/70/429928070.db2.gz AIZMXABJTOSMNO-RTBURBONSA-N 2 0 301.478 2.850 20 0 DFADRP C[C@@H]([NH2+]C[C@H]1CSc2ccccc2O1)c1cnccc1N ZINC000573564768 429961187 /nfs/dbraw/zinc/96/11/87/429961187.db2.gz OZOIFERPZVDPGE-NEPJUHHUSA-N 2 0 301.415 2.698 20 0 DFADRP CC(=O)Nc1cccc(C[N@H+]2CCC3(C2)CC[NH+](C)CC3)c1 ZINC000639757266 429970008 /nfs/dbraw/zinc/97/00/08/429970008.db2.gz DILXEHCTWRLDEJ-UHFFFAOYSA-N 2 0 301.434 2.563 20 0 DFADRP COc1cncc(/C=C/CC[N@@H+]2CCC3(C2)CC[NH+](C)CC3)c1 ZINC000639756273 429970129 /nfs/dbraw/zinc/97/01/29/429970129.db2.gz UMGMGILRHMHIOG-HWKANZROSA-N 2 0 315.461 2.911 20 0 DFADRP CC(C)O[C@@H](CN1CCC[C@@](O)(C[NH+](C)C)C1)c1ccccc1 ZINC000639766835 429972321 /nfs/dbraw/zinc/97/23/21/429972321.db2.gz PBRCZVJLVCJXRP-RBUKOAKNSA-N 2 0 320.477 2.541 20 0 DFADRP C[C@H]([NH2+][C@H]1CCCC[C@@H]1C[NH3+])c1cccc(N2CCOCC2)c1 ZINC000573711344 429975691 /nfs/dbraw/zinc/97/56/91/429975691.db2.gz HVRMOZSUJZJBJM-WDYCEAGBSA-N 2 0 317.477 2.691 20 0 DFADRP [NH3+]CCC1CC[NH+](Cc2ccc(OC(F)F)c(F)c2)CC1 ZINC000573211395 429937435 /nfs/dbraw/zinc/93/74/35/429937435.db2.gz OKUROEXYQSMOSK-UHFFFAOYSA-N 2 0 302.340 2.988 20 0 DFADRP CCc1nc(C)c(C[N@@H+]2CCCN(c3cc[nH+]cc3)CC2)o1 ZINC000639684087 429946059 /nfs/dbraw/zinc/94/60/59/429946059.db2.gz QMQIORNLTVTMQC-UHFFFAOYSA-N 2 0 300.406 2.653 20 0 DFADRP Clc1cc(C[N@@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)cc2c1OCO2 ZINC000574277510 430028639 /nfs/dbraw/zinc/02/86/39/430028639.db2.gz KZJPBVCWFIVVQT-KGLIPLIRSA-N 2 0 322.836 2.890 20 0 DFADRP Cc1cc(C)c(Cn2c3ccccc3nc2NC[C@@H](C)O)c(C)[nH+]1 ZINC000634539158 430030383 /nfs/dbraw/zinc/03/03/83/430030383.db2.gz QUXYXFNFVTTYOK-CQSZACIVSA-N 2 0 324.428 3.198 20 0 DFADRP Cc1ccc(OC[C@@H](O)C[NH2+]C2CC(C)(C)[NH2+]C(C)(C)C2)cc1 ZINC000574417745 430040687 /nfs/dbraw/zinc/04/06/87/430040687.db2.gz HCIXIJCBIGEFKI-INIZCTEOSA-N 2 0 320.477 2.634 20 0 DFADRP CCC1([NH+]2CCCC2)CC[NH+](CCCn2ccnc2C)CC1 ZINC000639985627 430044564 /nfs/dbraw/zinc/04/45/64/430044564.db2.gz CKHRUEGEWZXXGE-UHFFFAOYSA-N 2 0 304.482 2.922 20 0 DFADRP CCC1([NH+]2CCCC2)CCN(CCC(=O)NC2CCCC2)CC1 ZINC000639987896 430045574 /nfs/dbraw/zinc/04/55/74/430045574.db2.gz JJBOYLUGCUHEDD-UHFFFAOYSA-N 2 0 321.509 2.776 20 0 DFADRP CCC1([NH+]2CCCC2)CCN(C[C@H](O)COC(C)(C)C)CC1 ZINC000639988449 430046769 /nfs/dbraw/zinc/04/67/69/430046769.db2.gz RTEIHIFJVWAQHL-INIZCTEOSA-N 2 0 312.498 2.503 20 0 DFADRP CC[N@@H+]1CC[C@H]([NH2+][C@@H]2CCN(Cc3ccc(C)cc3)C2)[C@H](C)C1 ZINC000631748959 429990055 /nfs/dbraw/zinc/99/00/55/429990055.db2.gz MCONTTGQWRRCND-RLLQIKCJSA-N 2 0 315.505 2.889 20 0 DFADRP CC1(C)CCC[C@H]([NH2+]CCC[N@@H+]2CCC[C@@H](C(N)=O)C2)CC1 ZINC000573935419 429996186 /nfs/dbraw/zinc/99/61/86/429996186.db2.gz FNIUHEKYKTULRO-CVEARBPZSA-N 2 0 309.498 2.522 20 0 DFADRP C[C@H]([NH2+]C[C@]1(C)CCC[NH2+]C1)c1ccc2c(c1)CCC(=O)N2 ZINC000573953183 429997153 /nfs/dbraw/zinc/99/71/53/429997153.db2.gz OEZJIEZNUYZWBR-SCLBCKFNSA-N 2 0 301.434 2.612 20 0 DFADRP C[C@@H]1C[N@@H+]([C@@H]2C=CCCCCC2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000559146039 429999445 /nfs/dbraw/zinc/99/94/45/429999445.db2.gz VCGXUGCDWNWZTR-GUDVDZBRSA-N 2 0 305.510 2.833 20 0 DFADRP O[C@@H]1CC[N@H+](Cc2ccc(-n3ccnc3)cc2)[C@H]2CCCC[C@@H]12 ZINC000640098785 430087801 /nfs/dbraw/zinc/08/78/01/430087801.db2.gz PPIHIGYYUQMFDG-CEXWTWQISA-N 2 0 311.429 2.998 20 0 DFADRP COCCOc1ccc(C[NH2+][C@H]2CC[NH2+]CC(C)(C)C2)cc1 ZINC000634732247 430093946 /nfs/dbraw/zinc/09/39/46/430093946.db2.gz BJERVJYOBVSOSM-INIZCTEOSA-N 2 0 306.450 2.580 20 0 DFADRP CC[C@@H]1C[N@H+](C[C@H](O)CN(C)C2CC2)CC[C@H]1c1ccccc1 ZINC000562035738 430106271 /nfs/dbraw/zinc/10/62/71/430106271.db2.gz OHGMCASJIRUCRA-NSISKUIASA-N 2 0 316.489 2.957 20 0 DFADRP c1cc(C[NH+]2CCC(CO[C@H]3CC[NH2+]C3)CC2)cc2c1CCC2 ZINC000530241305 430106804 /nfs/dbraw/zinc/10/68/04/430106804.db2.gz PWIQBNDNBHVZCK-FQEVSTJZSA-N 2 0 314.473 2.766 20 0 DFADRP Fc1cc(F)cc(C[NH+]2CCC(CO[C@@H]3CC[NH2+]C3)CC2)c1 ZINC000530243285 430107588 /nfs/dbraw/zinc/10/75/88/430107588.db2.gz WOJREFHTXXBZRH-QGZVFWFLSA-N 2 0 310.388 2.555 20 0 DFADRP CC(C)[C@@H](CO)C[NH2+][C@@H](C)c1ccc(OCC[NH+](C)C)cc1 ZINC000562063599 430108527 /nfs/dbraw/zinc/10/85/27/430108527.db2.gz FAIJPEWZQJLTSZ-DOTOQJQBSA-N 2 0 308.466 2.542 20 0 DFADRP c1cc(C[N@@H+]2C[C@@H]3COC[C@@H]3C2)cc(C[NH+]2CCCCC2)c1 ZINC000634779206 430110286 /nfs/dbraw/zinc/11/02/86/430110286.db2.gz HMDWOLMLZMBSRT-KDURUIRLSA-N 2 0 300.446 2.751 20 0 DFADRP CCC[C@]1([NH2+]Cc2cn(-c3cc[nH+]cc3)nc2C)CCOC1 ZINC000560502184 430050925 /nfs/dbraw/zinc/05/09/25/430050925.db2.gz ZVXAUFXLTLIYLK-KRWDZBQOSA-N 2 0 300.406 2.625 20 0 DFADRP c1ccc(-c2ncc(C[NH2+][C@@H]3C[C@H]3C3CC[NH2+]CC3)cn2)cc1 ZINC000560972203 430072223 /nfs/dbraw/zinc/07/22/23/430072223.db2.gz SHLRQPZKZMMLSZ-ZWKOTPCHSA-N 2 0 308.429 2.621 20 0 DFADRP CC(C)[N@@H+]1CC[C@H](CNC(=O)C[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC000561074571 430075519 /nfs/dbraw/zinc/07/55/19/430075519.db2.gz UVEATJRAGJRSNM-AEFFLSMTSA-N 2 0 317.477 2.526 20 0 DFADRP CC[NH2+]CCC[NH2+][C@@H]1CCc2cc(Br)ccc2C1 ZINC000580827685 430155785 /nfs/dbraw/zinc/15/57/85/430155785.db2.gz DFROZIGIQLZOFS-OAHLLOKOSA-N 2 0 311.267 2.896 20 0 DFADRP CC(C)[N@@H+]1CC[C@H](CNC(=O)[C@H]2CCCC[NH+]2C2CCCC2)C1 ZINC000562657786 430160950 /nfs/dbraw/zinc/16/09/50/430160950.db2.gz GZDCSTXFOKTTQP-SJLPKXTDSA-N 2 0 321.509 2.630 20 0 DFADRP COc1cncc(C[NH+]2CCC(C[NH+]3CCCC3)CC2)c1C ZINC000637905977 430167837 /nfs/dbraw/zinc/16/78/37/430167837.db2.gz QEKMRANSTGQNEJ-UHFFFAOYSA-N 2 0 303.450 2.706 20 0 DFADRP C[C@@H]1CN(C2CC2)C[C@H]1[NH2+]Cc1ccccc1Cn1ccnc1 ZINC000580978475 430167873 /nfs/dbraw/zinc/16/78/73/430167873.db2.gz CUXWQPNSNVIQJY-DNVCBOLYSA-N 2 0 310.445 2.504 20 0 DFADRP CCCC[N@H+](C)CC1CC[NH+](Cc2c[nH]c3ncncc23)CC1 ZINC000637904636 430168412 /nfs/dbraw/zinc/16/84/12/430168412.db2.gz FFUGOELUUHLDJL-UHFFFAOYSA-N 2 0 315.465 2.853 20 0 DFADRP CCN1CCCC[C@@H]1C[NH2+]C1CCC(O)(C(F)(F)F)CC1 ZINC000562316890 430118822 /nfs/dbraw/zinc/11/88/22/430118822.db2.gz NOWMJUGMDKGEAY-ROKHWSDSSA-N 2 0 308.388 2.686 20 0 DFADRP C[C@H](C[NH2+][C@@H]1CCN([C@@H](C)c2ccccc2)C1)Cn1cccn1 ZINC000562490897 430139230 /nfs/dbraw/zinc/13/92/30/430139230.db2.gz FGRLJIYPMWZDFK-ZIFCJYIRSA-N 2 0 312.461 2.944 20 0 DFADRP COc1cc2c(cc1C[NH2+]C[C@@H]1CCC[C@@H]([NH3+])C1)O[C@H](C)C2 ZINC000580629474 430140183 /nfs/dbraw/zinc/14/01/83/430140183.db2.gz ITKGLEDOOFTNLW-XJKCOSOUSA-N 2 0 304.434 2.626 20 0 DFADRP Cc1cc(C[NH3+])oc1C(=O)NC[C@@H]([NH3+])c1ccc(C(C)C)cc1 ZINC000637830986 430140383 /nfs/dbraw/zinc/14/03/83/430140383.db2.gz LVILMZXVSOWMQY-MRXNPFEDSA-N 2 0 315.417 2.600 20 0 DFADRP c1cnc2cc(C[NH2+]CC3CC[NH+](CC4CC4)CC3)ccc2n1 ZINC000634987115 430183450 /nfs/dbraw/zinc/18/34/50/430183450.db2.gz MQPAKSSQDGXVNU-UHFFFAOYSA-N 2 0 310.445 2.841 20 0 DFADRP C[NH+]1CCC(N2CC[C@H]([NH2+][C@@H]3CCc4ccc(F)cc43)C2)CC1 ZINC000370636160 277029080 /nfs/dbraw/zinc/02/90/80/277029080.db2.gz QRFMQEYCCSCUPP-QFBILLFUSA-N 2 0 317.452 2.571 20 0 DFADRP C[NH+]1CCC(N2CC[C@H]([NH2+][C@@H]3CCc4cc(F)ccc43)C2)CC1 ZINC000370625183 277029167 /nfs/dbraw/zinc/02/91/67/277029167.db2.gz VYWRFVYTIRCLFI-QFBILLFUSA-N 2 0 317.452 2.571 20 0 DFADRP CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)CC12CC(C1)C[NH2+]2 ZINC000634993022 430185173 /nfs/dbraw/zinc/18/51/73/430185173.db2.gz IZFTZLYHHCJJJJ-XEVCZEQESA-N 2 0 313.489 2.582 20 0 DFADRP C[N@@H+]1CCC[C@H](CNC(N)=[NH2+])[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000304265047 277073807 /nfs/dbraw/zinc/07/38/07/277073807.db2.gz VBCAVCDSFPUEQS-YPMHNXCESA-N 2 0 314.355 2.571 20 0 DFADRP [NH3+][C@@H](CC[NH2+][C@H]1CCCC12CCOCC2)Cc1ccccc1 ZINC000635004671 430194405 /nfs/dbraw/zinc/19/44/05/430194405.db2.gz FXCUKHKNUHGVLV-ROUUACIJSA-N 2 0 302.462 2.885 20 0 DFADRP C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNCC12CC(C1)C[NH2+]2 ZINC000634995370 430188078 /nfs/dbraw/zinc/18/80/78/430188078.db2.gz BXYNJERGVKBYEW-ZRZPHAQCSA-N 2 0 313.489 2.903 20 0 DFADRP CN1CC[NH+](CC2CC[NH+](CC3CCCCCC3)CC2)CC1 ZINC000367674869 277104189 /nfs/dbraw/zinc/10/41/89/277104189.db2.gz WXYKQQBYBGUHIC-UHFFFAOYSA-N 2 0 307.526 2.916 20 0 DFADRP C[C@H]1C[N@H+](Cc2ccc(N(C)c3ccccc3)nc2)C[C@@H]1C[NH3+] ZINC000634998768 430188887 /nfs/dbraw/zinc/18/88/87/430188887.db2.gz KPMPGXSBLMEVQA-RDJZCZTQSA-N 2 0 310.445 2.876 20 0 DFADRP Cc1nn(-c2ccc(Cl)cc2)cc1C[N@H+]1C[C@H](C)[C@H](C[NH3+])C1 ZINC000634999001 430189201 /nfs/dbraw/zinc/18/92/01/430189201.db2.gz OLHLFSMCYSJXIS-GXTWGEPZSA-N 2 0 318.852 2.861 20 0 DFADRP [NH3+]C1CCC([NH2+][C@@H]2[C@H]3Cc4c(cccc4Br)[C@@H]23)CC1 ZINC000634997767 430189396 /nfs/dbraw/zinc/18/93/96/430189396.db2.gz SEFPKPHJUFEBKO-MOMCMJHZSA-N 2 0 321.262 2.947 20 0 DFADRP CCCOc1c(C[N@@H+]2C[C@@H](C)[C@@H](C[NH3+])C2)cccc1OCC ZINC000635000446 430189753 /nfs/dbraw/zinc/18/97/53/430189753.db2.gz OKGWZOISWOPYQJ-ZBFHGGJFSA-N 2 0 306.450 2.901 20 0 DFADRP c1cc(C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)c2c(c1)C[NH2+]CC2 ZINC000635003800 430191484 /nfs/dbraw/zinc/19/14/84/430191484.db2.gz LRZGFUXLBBLMJK-XUVXKRRUSA-N 3 0 313.489 2.733 20 0 DFADRP CCCCOc1cc(C[N@@H+]2C[C@H](C)[C@@H](C[NH3+])C2)ccc1OC ZINC000635000791 430191516 /nfs/dbraw/zinc/19/15/16/430191516.db2.gz VRSOXILZGZXRCV-HOCLYGCPSA-N 2 0 306.450 2.901 20 0 DFADRP C[C@@H](CC1CCCCC1)C[N@@H+]1CC[C@@H](n2cc(C[NH3+])nn2)C1 ZINC000635000837 430191586 /nfs/dbraw/zinc/19/15/86/430191586.db2.gz WUPNAIBRWNWWOL-WMLDXEAASA-N 2 0 305.470 2.590 20 0 DFADRP C[C@H](N[C@@H](C[NH+](C)C)c1cccc(C(F)(F)F)c1)C1C[NH2+]C1 ZINC000635002980 430191986 /nfs/dbraw/zinc/19/19/86/430191986.db2.gz CVHMHLLSOFJXNY-NHYWBVRUSA-N 2 0 315.383 2.506 20 0 DFADRP C[NH+](C)C[C@@H](NC1CC[NH2+]CC1)c1cccc(C(F)(F)F)c1 ZINC000635003106 430192149 /nfs/dbraw/zinc/19/21/49/430192149.db2.gz GAGHPMRABIXLIS-OAHLLOKOSA-N 2 0 315.383 2.650 20 0 DFADRP CCC[C@@H](C)NC(=O)[C@H](C)[N@H+](C)CCCC[NH+]1CCCCC1 ZINC000640530173 430192287 /nfs/dbraw/zinc/19/22/87/430192287.db2.gz AJAVMHSVGVVRRY-SJORKVTESA-N 2 0 311.514 2.878 20 0 DFADRP CC1(C)[C@H]([NH2+]Cc2cccc3c2CC[NH2+]C3)[C@@H]2CCCO[C@H]21 ZINC000635007605 430193500 /nfs/dbraw/zinc/19/35/00/430193500.db2.gz FEGYWRYDTQDKJR-RCCFBDPRSA-N 2 0 300.446 2.626 20 0 DFADRP CC[N@@H+]1CC[C@H](N(C)c2nc(C)nc3c2CCCC3)[C@H](C)C1 ZINC000542020210 430201048 /nfs/dbraw/zinc/20/10/48/430201048.db2.gz UJWJUIHSWIMMQT-DYVFJYSZSA-N 2 0 302.466 2.830 20 0 DFADRP CC(C)[NH+]1CCN([C@@H]2CC[N@H+](CCCc3ccsc3)C2)CC1 ZINC000542101958 430201664 /nfs/dbraw/zinc/20/16/64/430201664.db2.gz BOXYSOFIGUPLDR-GOSISDBHSA-N 2 0 321.534 2.781 20 0 DFADRP Fc1ccc2c(c1)[C@@H](Nc1cc(N3CC[NH2+]CC3)cc[nH+]1)CC2 ZINC000635008220 430195740 /nfs/dbraw/zinc/19/57/40/430195740.db2.gz IFXGRCMFNCKEMB-KRWDZBQOSA-N 2 0 312.392 2.730 20 0 DFADRP COc1ccc2c(c1)C[C@H]([NH2+]Cc1cccc3c1CC[NH2+]C3)CC2 ZINC000635012015 430196091 /nfs/dbraw/zinc/19/60/91/430196091.db2.gz SKZYPLQCHCVAGP-LJQANCHMSA-N 2 0 322.452 2.988 20 0 DFADRP C[C@H]([NH2+][C@H]1CC[C@H](C[NH3+])CC1)c1ccc2c(c1)CCC(=O)N2 ZINC000635009311 430196556 /nfs/dbraw/zinc/19/65/56/430196556.db2.gz XSQDPPWEJDUQAV-XEZPLFJOSA-N 2 0 301.434 2.739 20 0 DFADRP Cc1ccc([C@@H](C)Nc2cc(N3CC[NH2+]CC3)cc[nH+]2)c(C)n1 ZINC000635008785 430196732 /nfs/dbraw/zinc/19/67/32/430196732.db2.gz KLELOIKIDKCEMK-OAHLLOKOSA-N 2 0 311.433 2.676 20 0 DFADRP CCc1ccc([C@H](C)Nc2cc(N3CC[NH2+]CC3)cc[nH+]2)o1 ZINC000635010174 430196811 /nfs/dbraw/zinc/19/68/11/430196811.db2.gz QVTVMWACHAEPNJ-ZDUSSCGKSA-N 2 0 300.406 2.820 20 0 DFADRP Cc1ccc(CN2CC[C@H]([NH2+][C@@H]3CC[C@H]4C[NH2+]C[C@@H]4C3)C2)cc1 ZINC000635014165 430198414 /nfs/dbraw/zinc/19/84/14/430198414.db2.gz YOBSOUJBVWYDBU-HAGHYFMRSA-N 2 0 313.489 2.547 20 0 DFADRP C[NH+](C)CC1(C[NH2+]CCC(=O)Nc2ccccc2)CCCC1 ZINC000581425379 430207705 /nfs/dbraw/zinc/20/77/05/430207705.db2.gz PPTLTURVSGMWNY-UHFFFAOYSA-N 2 0 303.450 2.727 20 0 DFADRP CO[C@H](C[N@@H+]1C[C@@H]2C[NH+]3CCCC[C@H]3[C@@H]2C1)c1ccccc1 ZINC000374777933 277330961 /nfs/dbraw/zinc/33/09/61/277330961.db2.gz NUXMPRMFQKGVRY-AKHDSKFASA-N 2 0 300.446 2.790 20 0 DFADRP C[C@@H]1CCC[N@H+](Cc2ccc(NC(=O)CCC3C[NH2+]C3)cc2)C1 ZINC000638063983 430223129 /nfs/dbraw/zinc/22/31/29/430223129.db2.gz QOIOMCPIURSOOS-OAHLLOKOSA-N 2 0 315.461 2.857 20 0 DFADRP C[C@@H]1CCC[N@H+](Cc2ccc(NC(=O)C3=CC[C@@H]([NH3+])C3)cc2)C1 ZINC000638063609 430224406 /nfs/dbraw/zinc/22/44/06/430224406.db2.gz NMSFKYWVWHSENP-RHSMWYFYSA-N 2 0 313.445 2.905 20 0 DFADRP C[N@@H+](Cc1ccc(=O)[nH]c1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000638066186 430224769 /nfs/dbraw/zinc/22/47/69/430224769.db2.gz FECRTSIOBNASJZ-GOSISDBHSA-N 2 0 311.429 2.741 20 0 DFADRP C[C@H]([NH2+][C@@H]1CCO[C@@H]1c1ccc(F)c(F)c1)[C@H]1CCC[NH2+]C1 ZINC000565468182 430213083 /nfs/dbraw/zinc/21/30/83/430213083.db2.gz DCOLKZZPPLVDKN-XYZKALLWSA-N 2 0 310.388 2.773 20 0 DFADRP CCO[C@@H]1C[C@@H]1[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000565520462 430215965 /nfs/dbraw/zinc/21/59/65/430215965.db2.gz XDPQQDLVFCOBIV-XCDZQEORSA-N 2 0 300.446 2.949 20 0 DFADRP CC[C@@H](C)[C@H](C[NH+]1CCC(OCC[NH+]2CCCC2)CC1)OC ZINC000638126265 430244697 /nfs/dbraw/zinc/24/46/97/430244697.db2.gz SOJXFABIMRMZCW-AEFFLSMTSA-N 2 0 312.498 2.624 20 0 DFADRP CC[NH+](CC)[C@@H](CNC(=O)C1(C[NH+](C)C)CC1)c1ccsc1 ZINC000635280506 430245169 /nfs/dbraw/zinc/24/51/69/430245169.db2.gz VIBPYEZBJFQSSD-HNNXBMFYSA-N 2 0 323.506 2.589 20 0 DFADRP [NH3+][C@@H]1CCC[C@H]([NH2+][C@H](c2ccc3c(c2)OCCO3)C2CC2)C1 ZINC000581894979 430248282 /nfs/dbraw/zinc/24/82/82/430248282.db2.gz NYERHODYCPDGSV-VKJFTORMSA-N 2 0 302.418 2.768 20 0 DFADRP CCN(C)c1ccc(CN2CCCC[C@H]2[C@H]2CCC[NH2+]2)cn1 ZINC000566225480 430249609 /nfs/dbraw/zinc/24/96/09/430249609.db2.gz QBGIFVNAQOMIKK-SJORKVTESA-N 2 0 302.466 2.644 20 0 DFADRP C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)C12CCC[NH+](CCC1)C2 ZINC000635325073 430255913 /nfs/dbraw/zinc/25/59/13/430255913.db2.gz LQGGBTXLSZXWTG-QGZVFWFLSA-N 2 0 321.509 2.633 20 0 DFADRP CCN(CC)c1ccc(CNC(=O)C[N@H+](C)CC(C)(C)C)cn1 ZINC000635338030 430257435 /nfs/dbraw/zinc/25/74/35/430257435.db2.gz OXBUMMZSCVNLPF-UHFFFAOYSA-N 2 0 320.481 2.522 20 0 DFADRP C[C@H](c1ccc([S@](C)=O)cc1)[N@H+](C)CCCc1cncn1C ZINC000566414676 430258611 /nfs/dbraw/zinc/25/86/11/430258611.db2.gz SJWFODYNTVZTHU-PEBXRYMYSA-N 2 0 319.474 2.783 20 0 DFADRP CC(C)C[C@@H]([NH2+]C1CCN(CC[NH+](C)C)CC1)c1ccccn1 ZINC000150950472 277444453 /nfs/dbraw/zinc/44/44/53/277444453.db2.gz WNPVZPKZHBTVFG-LJQANCHMSA-N 2 0 318.509 2.784 20 0 DFADRP CC[N@H+](Cc1ccc(OCCN2CCOCC2)cc1)C1CCC1 ZINC000638101461 430235434 /nfs/dbraw/zinc/23/54/34/430235434.db2.gz PWAGQJIXBZLEIG-UHFFFAOYSA-N 2 0 318.461 2.772 20 0 DFADRP Cn1nc2c(c1CN1CCC[C@@H]([NH+]3CCCC3)CC1)CCCC2 ZINC000638105220 430236212 /nfs/dbraw/zinc/23/62/12/430236212.db2.gz QFBYHZAFSFSKST-MRXNPFEDSA-N 2 0 316.493 2.749 20 0 DFADRP CC[N@@H+]1CC[C@H](N(C)Cc2ccnn2CC2CCC2)C[C@H]1C ZINC000638109504 430236415 /nfs/dbraw/zinc/23/64/15/430236415.db2.gz FUWPYWJQXVTZFH-WBVHZDCISA-N 2 0 304.482 2.988 20 0 DFADRP CC[N@@H+]1CC[C@@H](N(C)Cc2c3c(nn2C)CCCC3)C[C@H]1C ZINC000638109773 430236630 /nfs/dbraw/zinc/23/66/30/430236630.db2.gz GRCYYOWTQVPMBZ-HUUCEWRRSA-N 2 0 304.482 2.604 20 0 DFADRP CCCc1ncc(C[NH2+]C2CCN(c3cc[nH+]cc3)CC2)o1 ZINC000582950274 430349228 /nfs/dbraw/zinc/34/92/28/430349228.db2.gz RZEYVAFRNWKOGY-UHFFFAOYSA-N 2 0 300.406 2.781 20 0 DFADRP Cc1ccc([C@H]([NH2+]CCCN2CC[NH+](C)CC2)C2CCC2)o1 ZINC000544581133 430287969 /nfs/dbraw/zinc/28/79/69/430287969.db2.gz FNEWDUWMVCTUKM-GOSISDBHSA-N 2 0 305.466 2.656 20 0 DFADRP C[NH+](C)CCc1ccc(NC(=O)C[N@H+](C)CC(C)(C)C)cc1 ZINC000635489147 430291601 /nfs/dbraw/zinc/29/16/01/430291601.db2.gz JUHGEKDUGKUYGE-UHFFFAOYSA-N 2 0 305.466 2.707 20 0 DFADRP CC[NH+](CC)Cc1ccc(C[NH2+]C[C@H](OC)[C@H]2CCOC2)cc1 ZINC000638306278 430298480 /nfs/dbraw/zinc/29/84/80/430298480.db2.gz BLTTZLXRMLWKPO-OALUTQOASA-N 2 0 320.477 2.670 20 0 DFADRP c1cnn(C2CC([NH2+]Cc3ccc(C[NH+]4CCCC4)cc3)C2)c1 ZINC000638310245 430300827 /nfs/dbraw/zinc/30/08/27/430300827.db2.gz RGHFZTMHHXTMDE-UHFFFAOYSA-N 2 0 310.445 2.972 20 0 DFADRP CC[NH+](CC)Cc1ccccc1C[NH2+]C[C@@H](OC)[C@H]1CCOC1 ZINC000638313367 430302162 /nfs/dbraw/zinc/30/21/62/430302162.db2.gz UUEPYIIFTBHKHK-RBUKOAKNSA-N 2 0 320.477 2.670 20 0 DFADRP CSc1ccc(NC(=O)[C@@H](C)[NH+]2CCC(CC[NH3+])CC2)cc1 ZINC000568057218 430310394 /nfs/dbraw/zinc/31/03/94/430310394.db2.gz WTDSZOZQQNGMKH-CYBMUJFWSA-N 2 0 321.490 2.796 20 0 DFADRP C[NH+](C)C1(CN[C@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)CC1 ZINC000582605712 430315698 /nfs/dbraw/zinc/31/56/98/430315698.db2.gz PLSTYVQJUCKKKP-SFHVURJKSA-N 2 0 313.489 2.867 20 0 DFADRP C[C@H](C[C@H]1CCCC(=O)N1)[NH2+]CCCC[N@@H+]1CCCC[C@H]1C ZINC000638365080 430318161 /nfs/dbraw/zinc/31/81/61/430318161.db2.gz APRWZTBGFJVUPK-BRWVUGGUSA-N 2 0 309.498 2.678 20 0 DFADRP C[C@H](C[C@H]1CCCC(=O)N1)[NH2+]CCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000638369944 430320235 /nfs/dbraw/zinc/32/02/35/430320235.db2.gz JPCMSJXACAKLMM-XMTFNYHQSA-N 2 0 323.525 2.781 20 0 DFADRP Cn1cc(CC[NH2+][C@H]2CCN(C3CC3)[C@@H](c3ccccc3)C2)cn1 ZINC000638398437 430329671 /nfs/dbraw/zinc/32/96/71/430329671.db2.gz ZIYQZHNUHRGMSQ-AZUAARDMSA-N 2 0 324.472 2.920 20 0 DFADRP [NH3+][C@H]1CCC[C@@H]([NH2+]CCc2nc(-c3ccncc3)cs2)C1 ZINC000582735977 430329850 /nfs/dbraw/zinc/32/98/50/430329850.db2.gz QTUMVAHBQMJIRU-UONOGXRCSA-N 2 0 302.447 2.607 20 0 DFADRP C[C@@]1(C[NH2+]C[C@H](O)C[NH+]2CCCCC2)C[C@H]1c1ccccc1 ZINC000638410724 430333460 /nfs/dbraw/zinc/33/34/60/430333460.db2.gz AZTRGSDCGODONB-FHWLQOOXSA-N 2 0 302.462 2.617 20 0 DFADRP O=C(NC1CC[NH+](C2CCCC2)CC1)[C@H]1CC[N@@H+]1C1CCCC1 ZINC000635651227 430336320 /nfs/dbraw/zinc/33/63/20/430336320.db2.gz IHQLVTUVTMSNJC-GOSISDBHSA-N 2 0 319.493 2.527 20 0 DFADRP CC(C)[N@@H+]1CCCC[C@@H]1Cn1cc(-c2cccc(C[NH3+])c2)nn1 ZINC000641170108 430351436 /nfs/dbraw/zinc/35/14/36/430351436.db2.gz WBANKFLGRCZZBX-QGZVFWFLSA-N 2 0 313.449 2.667 20 0 DFADRP COc1cc(C)ccc1[C@@H](C)[NH2+][C@@H](C)CCN1CC[NH+](C)CC1 ZINC000546017026 430342438 /nfs/dbraw/zinc/34/24/38/430342438.db2.gz DGHPEHCYTXTBCM-DLBZAZTESA-N 2 0 319.493 2.680 20 0 DFADRP CO[C@@H](C[NH2+]C[C@@H]1CCCN(Cc2cccs2)C1)C1CC1 ZINC000638447233 430344203 /nfs/dbraw/zinc/34/42/03/430344203.db2.gz HXWRDRVCDQQWHM-YOEHRIQHSA-N 2 0 308.491 2.975 20 0 DFADRP CO[C@@H](C[NH2+]C1CC[NH+](CC2CCCC2)CC1)C1CCOCC1 ZINC000638454193 430346616 /nfs/dbraw/zinc/34/66/16/430346616.db2.gz LRSKFPNLQPJEMG-IBGZPJMESA-N 2 0 324.509 2.672 20 0 DFADRP c1cnn(C2CC([NH2+]C3CC[NH+](CC4CCCC4)CC3)C2)c1 ZINC000638455599 430348171 /nfs/dbraw/zinc/34/81/71/430348171.db2.gz WCRXVAVAIHRHPD-UHFFFAOYSA-N 2 0 302.466 2.831 20 0 DFADRP CO[C@@H](C[NH2+]CC1CC[NH+](Cc2cccs2)CC1)C1CC1 ZINC000638456507 430348225 /nfs/dbraw/zinc/34/82/25/430348225.db2.gz MGTGBGBOLNNYRW-KRWDZBQOSA-N 2 0 308.491 2.975 20 0 DFADRP C[NH+](C)[C@@H]1CCC[C@H](NC(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC000547731738 430416238 /nfs/dbraw/zinc/41/62/38/430416238.db2.gz DIJLAQABUSCHSW-DOTOQJQBSA-N 2 0 309.498 2.630 20 0 DFADRP C[C@H]([NH2+]CCOc1cccc(Cl)c1Cl)[C@@H]1CC[NH2+]C1 ZINC000568381409 430352178 /nfs/dbraw/zinc/35/21/78/430352178.db2.gz HEMGTCJVJYAPRG-WDEREUQCSA-N 2 0 303.233 2.960 20 0 DFADRP Cc1ccc(C[NH2+]C2CCN(CC[NH+](C)C)CC2)c(Cl)c1 ZINC000568402291 430356941 /nfs/dbraw/zinc/35/69/41/430356941.db2.gz ZROUKWMCGFDGNF-UHFFFAOYSA-N 2 0 309.885 2.764 20 0 DFADRP C[NH+](C)[C@H]1CCC[C@H](NC(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC000547731740 430417057 /nfs/dbraw/zinc/41/70/57/430417057.db2.gz DIJLAQABUSCHSW-RDJZCZTQSA-N 2 0 309.498 2.630 20 0 DFADRP C[C@H](C[C@H]1CCCC(=O)N1)[NH2+]CCCCC[NH+]1CCCCC1 ZINC000638527940 430368881 /nfs/dbraw/zinc/36/88/81/430368881.db2.gz PCIRUCLJNMEYSF-IAGOWNOFSA-N 2 0 309.498 2.680 20 0 DFADRP Cc1nnc([C@@H](C)N2CCC(Nc3ccccn3)CC2)s1 ZINC000583155794 430369880 /nfs/dbraw/zinc/36/98/80/430369880.db2.gz PVPMGXBWPQEDBL-LLVKDONJSA-N 2 0 303.435 2.879 20 0 DFADRP C[N@H+](CCC(=O)N1CCC[C@H]1C[NH+]1CCCC1)C1CCCCC1 ZINC000547732632 430417285 /nfs/dbraw/zinc/41/72/85/430417285.db2.gz LQXXAGGMNTYDDX-SFHVURJKSA-N 2 0 321.509 2.728 20 0 DFADRP Cc1cc(C[NH2+]CCc2ccc(OCC[NH+](C)C)cc2)sn1 ZINC000638539583 430371724 /nfs/dbraw/zinc/37/17/24/430371724.db2.gz RSSJYUMNSYLUBO-UHFFFAOYSA-N 2 0 319.474 2.724 20 0 DFADRP C[NH+](C)Cc1cccc(C(=O)N2CCCc3cccc(C[NH3+])c32)c1 ZINC000638544235 430373396 /nfs/dbraw/zinc/37/33/96/430373396.db2.gz KJVRSLSXTPPAIK-UHFFFAOYSA-N 2 0 323.440 2.800 20 0 DFADRP CC(C)(C[NH3+])C(=O)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000568622295 430376814 /nfs/dbraw/zinc/37/68/14/430376814.db2.gz BAQPIHBZJVCZSF-HNNXBMFYSA-N 2 0 323.868 2.578 20 0 DFADRP C[C@@H]1CCN(CC[NH2+][C@@H]2C[C@H](C)CN(Cc3ccccc3)C2)C1 ZINC000547362839 430387470 /nfs/dbraw/zinc/38/74/70/430387470.db2.gz IDDCYJUNRGNJBB-WSTZPKSXSA-N 2 0 315.505 2.828 20 0 DFADRP CN(C)[C@@H](CNC(=O)CC[N@H+](C)C1CCCCC1)c1ccco1 ZINC000547429960 430392346 /nfs/dbraw/zinc/39/23/46/430392346.db2.gz PPTDJPIGXOMPSO-INIZCTEOSA-N 2 0 321.465 2.653 20 0 DFADRP C[C@@H]1CN(Cc2ccccn2)CC[C@@H]1[NH2+]Cc1ccc(C[NH3+])cc1 ZINC000583500632 430400595 /nfs/dbraw/zinc/40/05/95/430400595.db2.gz SDCCQPJUBULRIM-UZLBHIALSA-N 2 0 324.472 2.541 20 0 DFADRP CCN(C[C@H]1CCC[N@@H+]1CC)C(=O)CC[C@@H]1CCCC[NH+]1C ZINC000583518659 430403552 /nfs/dbraw/zinc/40/35/52/430403552.db2.gz GWNGPXVTFYZMPM-DLBZAZTESA-N 2 0 309.498 2.584 20 0 DFADRP C[C@@H]1C[C@@H]([NH3+])CCN1CC(=O)Nc1ccccc1C(C)(C)C ZINC000568897816 430403657 /nfs/dbraw/zinc/40/36/57/430403657.db2.gz DGVMXXQTHXJQTL-KGLIPLIRSA-N 2 0 303.450 2.734 20 0 DFADRP CN(Cc1cc(C(C)(C)C)n[nH]1)Cc1ccc2c(c1)C[NH2+]CC2 ZINC000568891325 430404027 /nfs/dbraw/zinc/40/40/27/430404027.db2.gz SGQCCHOXCYODNO-UHFFFAOYSA-N 2 0 312.461 2.985 20 0 DFADRP Cc1ccc(C[NH2+]C2CCC([NH3+])CC2)c(OC[C@H]2CCOC2)c1 ZINC000569229484 430434899 /nfs/dbraw/zinc/43/48/99/430434899.db2.gz FFAGQJZEHGOPBG-ZLPCBKJTSA-N 2 0 318.461 2.770 20 0 DFADRP O=C(CC[NH2+]C1CC[NH+](C2CCC2)CC1)Nc1ccccc1 ZINC000569232044 430435540 /nfs/dbraw/zinc/43/55/40/430435540.db2.gz GQJAAFJWNOCZMN-UHFFFAOYSA-N 2 0 301.434 2.622 20 0 DFADRP COc1cc(C[NH+](C)C)ccc1NC(=O)C[N@H+](C)CC(C)(C)C ZINC000636013764 430438230 /nfs/dbraw/zinc/43/82/30/430438230.db2.gz VZCCNQJSAJGJSE-UHFFFAOYSA-N 2 0 321.465 2.673 20 0 DFADRP C[NH+]1CCC(CC[NH2+][C@H](c2nnc[nH]2)C2CCCCC2)CC1 ZINC000583907966 430439556 /nfs/dbraw/zinc/43/95/56/430439556.db2.gz UKPZZIOCYDGPPT-INIZCTEOSA-N 2 0 305.470 2.748 20 0 DFADRP C[C@H]1C[C@@H](N(C)C(=O)CC[NH+](C)C2CCCCC2)CC[N@@H+]1C ZINC000548060383 430441960 /nfs/dbraw/zinc/44/19/60/430441960.db2.gz WGHYGWIDVNSQDB-RDJZCZTQSA-N 2 0 309.498 2.582 20 0 DFADRP CC[N@H+](C)C[C@H](O)CN1CCc2ccccc2[C@H]1c1ccccc1 ZINC000583942554 430444002 /nfs/dbraw/zinc/44/40/02/430444002.db2.gz IBLFZRMYJBNZHN-PZJWPPBQSA-N 2 0 324.468 2.947 20 0 DFADRP CC1CC[NH+](CCCC[NH2+]Cc2ccc3[nH]c(=O)[nH]c3c2)CC1 ZINC000641707273 430446819 /nfs/dbraw/zinc/44/68/19/430446819.db2.gz DRYZJRPIXDWOIO-UHFFFAOYSA-N 2 0 316.449 2.870 20 0 DFADRP C[C@H](CNC(=O)[C@H]1CCCCCC[C@H]1[NH3+])[N@@H+]1CCC[C@@H](C)C1 ZINC000569357738 430447929 /nfs/dbraw/zinc/44/79/29/430447929.db2.gz ZQJWRZOQRARZAL-WCXIOVBPSA-N 2 0 309.498 2.521 20 0 DFADRP C[C@H](CNC(=O)[C@@H]1CCCCCC[C@H]1[NH3+])[N@@H+]1CCC[C@@H](C)C1 ZINC000569357736 430448609 /nfs/dbraw/zinc/44/86/09/430448609.db2.gz ZQJWRZOQRARZAL-QBPKDAKJSA-N 2 0 309.498 2.521 20 0 DFADRP CCO[C@@H]1CCC[C@H]1[NH2+]Cc1cn(-c2cc[nH+]cc2)nc1C ZINC000584034167 430451637 /nfs/dbraw/zinc/45/16/37/430451637.db2.gz OCMBKMALBVJTFA-IAGOWNOFSA-N 2 0 300.406 2.623 20 0 DFADRP C[C@@H](NCC[N@@H+]1CC[C@@H](C)C1)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000548155708 430453037 /nfs/dbraw/zinc/45/30/37/430453037.db2.gz CIFXJNPMUVZGDX-GGPKGHCWSA-N 2 0 315.505 2.828 20 0 DFADRP c1[nH]c2ncncc2c1C[NH2+]Cc1cccc(C[NH+]2CCCC2)c1 ZINC000638850463 430454953 /nfs/dbraw/zinc/45/49/53/430454953.db2.gz NPBAOKDJDSAAPH-UHFFFAOYSA-N 2 0 321.428 2.795 20 0 DFADRP CCC1([NH+]2CCCC2)CCN(C(=O)[C@@H](CC(C)(C)C)[NH2+]C)CC1 ZINC000638862611 430459359 /nfs/dbraw/zinc/45/93/59/430459359.db2.gz XAQZGWRYBCJYCY-MRXNPFEDSA-N 2 0 323.525 2.878 20 0 DFADRP OC[C@H]1C=C[C@@H]([NH2+][C@H]2CCN(C3CC3)[C@H](c3ccccc3)C2)C1 ZINC000638880503 430465095 /nfs/dbraw/zinc/46/50/95/430465095.db2.gz MFWYCWYQLRIYJV-NFBUACBFSA-N 2 0 312.457 2.881 20 0 DFADRP CCC[N@H+](CC)Cc1ccc(C(=O)N2C[C@H](C)[C@H](C[NH3+])C2)cc1 ZINC000638895205 430469132 /nfs/dbraw/zinc/46/91/32/430469132.db2.gz SQRNPBHEDIAZSU-MAUKXSAKSA-N 2 0 317.477 2.585 20 0 DFADRP Cc1cnccc1CC[N@H+](C[C@H]1CCCO1)[C@H]1CCSC1 ZINC000584348322 430476227 /nfs/dbraw/zinc/47/62/27/430476227.db2.gz MALUJLPHSMTBFC-DLBZAZTESA-N 2 0 306.475 2.919 20 0 DFADRP COCC[NH2+]C1CC[NH+](C[C@@H](C)CCc2ccccc2)CC1 ZINC000569697664 430479609 /nfs/dbraw/zinc/47/96/09/430479609.db2.gz GYTYVJVZNYDPNQ-KRWDZBQOSA-N 2 0 304.478 2.956 20 0 DFADRP CC[NH+]1CCN([C@H](C)C[NH2+][C@@H](C)[C@@H]2C[C@H]2c2ccccc2)CC1 ZINC000569125503 430426828 /nfs/dbraw/zinc/42/68/28/430426828.db2.gz OTYONUJIUBIHBV-UMGGQSCQSA-N 2 0 315.505 2.794 20 0 DFADRP CC[NH+](CC)CCCC1CC[NH+](C[C@]2(OC)CCOC2)CC1 ZINC000638977677 430486152 /nfs/dbraw/zinc/48/61/52/430486152.db2.gz OHFCVNNNATXCEL-GOSISDBHSA-N 2 0 312.498 2.626 20 0 DFADRP CCC1([NH+](C)C)CCN(C(=O)[C@@H](C)[C@H]([NH3+])c2ccccc2)CC1 ZINC000638975293 430486480 /nfs/dbraw/zinc/48/64/80/430486480.db2.gz JESNXUXTTLZLIC-RDJZCZTQSA-N 2 0 317.477 2.655 20 0 DFADRP CCC1([NH+](C)C)CCN(C(=O)[C@H]2CCCCCC[C@H]2[NH3+])CC1 ZINC000638976048 430486838 /nfs/dbraw/zinc/48/68/38/430486838.db2.gz TWMHUDBDNDGINL-JKSUJKDBSA-N 2 0 309.498 2.617 20 0 DFADRP FC(F)c1ccc(C[NH2+]C2CCC([NH+]3CCNCC3)CC2)cc1 ZINC000569816361 430488751 /nfs/dbraw/zinc/48/87/51/430488751.db2.gz ZXOUTFITXQPFGF-UHFFFAOYSA-N 2 0 323.431 2.930 20 0 DFADRP CC[NH+]1CCN(c2cccc(N[C@H]3CC[N@H+](C)[C@H](C)C3)c2)CC1 ZINC000639057341 430506572 /nfs/dbraw/zinc/50/65/72/430506572.db2.gz MUJISZUWOINFBB-AEFFLSMTSA-N 2 0 316.493 2.723 20 0 DFADRP [NH3+]C[C@@H]1CCN(C(=O)C[C@@H]2[NH2+]Cc3ccccc32)c2ccccc21 ZINC000639064989 430509685 /nfs/dbraw/zinc/50/96/85/430509685.db2.gz NHTVTZNSYJEUBK-KSSFIOAISA-N 2 0 321.424 2.700 20 0 DFADRP Cn1nccc1[C@@H]1CCC[C@H]([NH2+]C[C@H]2CC[C@H](C[NH3+])CC2)C1 ZINC000570077878 430511724 /nfs/dbraw/zinc/51/17/24/430511724.db2.gz UKQUKFMIXACYPQ-VQHPVUNQSA-N 2 0 304.482 2.801 20 0 DFADRP CC[C@H](C)[C@H](C[N@@H+]1CC[C@H](CN(C)Cc2cccnc2)C1)OC ZINC000639080343 430515402 /nfs/dbraw/zinc/51/54/02/430515402.db2.gz LGJLKGHOBFJTGJ-UHOSZYNNSA-N 2 0 319.493 2.896 20 0 DFADRP C[C@@H]([NH2+]C[C@H](C)CN1CC[NH+](C)CC1)[C@@H]1C[C@H]1c1ccccc1 ZINC000549611992 430529492 /nfs/dbraw/zinc/52/94/92/430529492.db2.gz SCRLBOJZNFQLKF-HNJRGHQBSA-N 2 0 315.505 2.652 20 0 DFADRP CO[C@@](C)(C[NH2+]C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C1CC1 ZINC000639117500 430531756 /nfs/dbraw/zinc/53/17/56/430531756.db2.gz GYIXCJSKWIYEKO-HKUYNNGSSA-N 2 0 302.462 2.913 20 0 DFADRP C[C@H]1CCN(CCC[NH+]2CCCC2)C[C@H]1C(=O)OC(C)(C)C ZINC000570329528 430533479 /nfs/dbraw/zinc/53/34/79/430533479.db2.gz QFQAQXDHNMZWDP-JKSUJKDBSA-N 2 0 310.482 2.772 20 0 DFADRP O[C@H](C[NH2+][C@H]1CCN(C2CC2)[C@H](c2ccccc2)C1)C1CC1 ZINC000639173060 430553077 /nfs/dbraw/zinc/55/30/77/430553077.db2.gz SORCOMQFYCRXAQ-YTQUADARSA-N 2 0 300.446 2.715 20 0 DFADRP Cc1ncc([C@H](C)[N@@H+]2CC[C@H](C3CC[NH+](C)CC3)C2)c(C)n1 ZINC000639177355 430555211 /nfs/dbraw/zinc/55/52/11/430555211.db2.gz SHGPUKJZZBTCEM-YOEHRIQHSA-N 2 0 302.466 2.818 20 0 DFADRP C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C[C@@H]2CCN(c3ccccc3)C2)C1 ZINC000639178950 430557844 /nfs/dbraw/zinc/55/78/44/430557844.db2.gz PVAUKOLACXXNGK-WSTZPKSXSA-N 2 0 313.489 2.929 20 0 DFADRP Cc1cc(C[C@@H](C)[NH2+]C2CCC([NH3+])CC2)n(-c2ccccc2)n1 ZINC000570624618 430559326 /nfs/dbraw/zinc/55/93/26/430559326.db2.gz ODMVFVBCETXZEZ-ODIFPOPNSA-N 2 0 312.461 2.971 20 0 DFADRP CC(C)(O)C[NH+]1CCC([NH2+]CC[C@H]2CCc3ccccc32)CC1 ZINC000639216032 430575652 /nfs/dbraw/zinc/57/56/52/430575652.db2.gz AKNFHRLVISBQKB-QGZVFWFLSA-N 2 0 316.489 2.931 20 0 DFADRP Cc1cc(NC(=O)NCCCC[N@H+]2CCC[C@@H](C)C2)c(C)cn1 ZINC000551991789 430576626 /nfs/dbraw/zinc/57/66/26/430576626.db2.gz CBOPURNRKRSNNZ-CQSZACIVSA-N 2 0 318.465 2.754 20 0 DFADRP CON1CCC([NH2+][C@@H]2CN(Cc3ccccc3)C(C)(C)C2)CC1 ZINC000643296805 430576791 /nfs/dbraw/zinc/57/67/91/430576791.db2.gz ZCOZWSUNDIIAFM-SFHVURJKSA-N 2 0 317.477 2.655 20 0 DFADRP CC(C)[C@@H]1CC[C@H]1[NH2+]CC1(N2CCCCC2)CC[NH+](C)CC1 ZINC000552043306 430580658 /nfs/dbraw/zinc/58/06/58/430580658.db2.gz GYSQBYJBUHFWPB-ZWKOTPCHSA-N 2 0 307.526 2.961 20 0 DFADRP C[N@H+](CCCC[NH2+]C[C@@H]1CCN(c2ccccc2)C1)C1CC1 ZINC000639244915 430586672 /nfs/dbraw/zinc/58/66/72/430586672.db2.gz QGYGDPBVCKBOKR-KRWDZBQOSA-N 2 0 301.478 2.977 20 0 DFADRP C[N@@H+]1CCC[C@H](CC[NH2+]C[C@H]2CCN(c3ccccc3)C2)C1 ZINC000639257687 430590512 /nfs/dbraw/zinc/59/05/12/430590512.db2.gz QNGNOFGMLCOVOR-QZTJIDSGSA-N 2 0 301.478 2.834 20 0 DFADRP C[N@@H+]1CCC[C@H](N2CC[NH+](C[C@@H]3C[C@H]3c3ccccc3)CC2)C1 ZINC000643374887 430595177 /nfs/dbraw/zinc/59/51/77/430595177.db2.gz YPYTUFNPRRRALY-UFYCRDLUSA-N 2 0 313.489 2.502 20 0 DFADRP CCOC(=O)[C@@H]1CCCC[C@@H]1[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000571032178 430597686 /nfs/dbraw/zinc/59/76/86/430597686.db2.gz SCORCFHAXBCTEE-SJORKVTESA-N 2 0 308.466 2.572 20 0 DFADRP C[N@@H+]1CCC[C@H](C[NH2+]Cc2ccc(=O)[nH]c2)[C@H]1c1ccccc1 ZINC000639154718 430546474 /nfs/dbraw/zinc/54/64/74/430546474.db2.gz CZUOVRMHULCEHW-IEBWSBKVSA-N 2 0 311.429 2.960 20 0 DFADRP COc1ccc(COCC[N@@H+]2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)cc1 ZINC000643064216 430547172 /nfs/dbraw/zinc/54/71/72/430547172.db2.gz XLPGSNNYAFOHBL-IEBWSBKVSA-N 2 0 318.461 2.676 20 0 DFADRP CC(C)(O)C[NH+]1CCC([NH2+]C[C@H]2CCCC(F)(F)C2)CC1 ZINC000639153190 430547114 /nfs/dbraw/zinc/54/71/14/430547114.db2.gz FYTMMPGIBCDFIC-ZDUSSCGKSA-N 2 0 304.425 2.637 20 0 DFADRP C[C@H]([NH3+])[C@H]1COCC[C@@H]1[NH2+]CCc1ccc(C(F)(F)F)cc1 ZINC000643456666 430603229 /nfs/dbraw/zinc/60/32/29/430603229.db2.gz VTTGOPBGSRTEAA-GLQYFDAESA-N 2 0 316.367 2.590 20 0 DFADRP CC[N@H+](Cc1ccc(C(=O)N2CC[C@H]([NH3+])C[C@@H]2C)cc1)C1CC1 ZINC000571101780 430603886 /nfs/dbraw/zinc/60/38/86/430603886.db2.gz CSLSMLYPMLIFHI-YOEHRIQHSA-N 2 0 315.461 2.623 20 0 DFADRP C[C@@H]([NH2+]Cc1cccc(OCc2ccccn2)c1)[C@H]1CC[NH2+]C1 ZINC000643462196 430604628 /nfs/dbraw/zinc/60/46/28/430604628.db2.gz BJFXVWIAWFPMLM-WBVHZDCISA-N 2 0 311.429 2.748 20 0 DFADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]C[C@H](c1ccnn1C)C(C)C ZINC000643484329 430607630 /nfs/dbraw/zinc/60/76/30/430607630.db2.gz WFMOSJCWKSOADM-DYVFJYSZSA-N 2 0 315.465 2.673 20 0 DFADRP COc1cc(C[C@@H](C)[NH2+]CC2CC[NH+](CC3CC3)CC2)ccn1 ZINC000639334467 430612488 /nfs/dbraw/zinc/61/24/88/430612488.db2.gz DDHHEGZXCUDYPD-OAHLLOKOSA-N 2 0 317.477 2.733 20 0 DFADRP O=C1Nc2ccccc2C12CCC([NH2+][C@H]1CCC[NH2+]CC1)CC2 ZINC000643522652 430612573 /nfs/dbraw/zinc/61/25/73/430612573.db2.gz QWPIZKFAVZCAEF-XVTSOASTSA-N 2 0 313.445 2.551 20 0 DFADRP C[C@@H]([NH2+]Cc1ccc2c(c1)C[NH2+]C2)c1ccccc1-n1ccnn1 ZINC000643523747 430613056 /nfs/dbraw/zinc/61/30/56/430613056.db2.gz OPVFOQYRCDCQKQ-CQSZACIVSA-N 2 0 319.412 2.721 20 0 DFADRP COCC1(C[NH2+][C@@H]2CCCc3ccccc3C2)CC[NH2+]CC1 ZINC000643531122 430613306 /nfs/dbraw/zinc/61/33/06/430613306.db2.gz VSOHEDHBZKCQIH-GOSISDBHSA-N 2 0 302.462 2.540 20 0 DFADRP c1ccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@@H](N[C@@H]2CCC[NH2+]CC2)C3)cc1 ZINC000643523120 430613507 /nfs/dbraw/zinc/61/35/07/430613507.db2.gz WXFYGLRHSHZXGY-YSTOQKLRSA-N 2 0 313.489 2.914 20 0 DFADRP Fc1ccc(N2CCC([NH2+][C@H]3CC34CC[NH2+]CC4)CC2)c(F)c1 ZINC000643534849 430613698 /nfs/dbraw/zinc/61/36/98/430613698.db2.gz DQIYGHUSHCUJHS-KRWDZBQOSA-N 2 0 321.415 2.665 20 0 DFADRP COc1ccc([C@H](C)[NH2+][C@H]2CC23CC[NH2+]CC3)c(C)c1OC ZINC000643535801 430614226 /nfs/dbraw/zinc/61/42/26/430614226.db2.gz JNZWCKSLGWKZPM-BBRMVZONSA-N 2 0 304.434 2.805 20 0 DFADRP C[C@@H]([NH2+][C@H]1CC12CC[NH2+]CC2)c1ncc(-c2ccccc2)n1C ZINC000643536724 430614971 /nfs/dbraw/zinc/61/49/71/430614971.db2.gz VDBDXKSDICJQQK-PBHICJAKSA-N 2 0 310.445 2.880 20 0 DFADRP Cc1cccc(NC(=O)C[C@H](C)[NH2+][C@H]2CC[NH2+]C3(CCC3)C2)c1 ZINC000643546851 430615304 /nfs/dbraw/zinc/61/53/04/430615304.db2.gz VWHSGNCDPRQBMS-RDJZCZTQSA-N 2 0 315.461 2.976 20 0 DFADRP C[C@H](CC(=O)N(C)c1ccccc1)[NH2+][C@H]1CC[NH2+]C2(CCC2)C1 ZINC000643546677 430615317 /nfs/dbraw/zinc/61/53/17/430615317.db2.gz SQSQMFQJGAIRMG-CVEARBPZSA-N 2 0 315.461 2.692 20 0 DFADRP C[C@H]([NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1)c1ccccc1-n1cccn1 ZINC000643548189 430615414 /nfs/dbraw/zinc/61/54/14/430615414.db2.gz RASLNJVYOQIKIL-YLFCFFPRSA-N 2 0 310.445 2.911 20 0 DFADRP C[C@H](CC(=O)N(C)c1ccccc1)[NH2+][C@@H]1CC[NH2+]C2(CCC2)C1 ZINC000643546679 430616170 /nfs/dbraw/zinc/61/61/70/430616170.db2.gz SQSQMFQJGAIRMG-HZPDHXFCSA-N 2 0 315.461 2.692 20 0 DFADRP C[C@@H]([NH2+][C@@H]1CC[NH2+]C2(CCC2)C1)c1cccc(-n2ccnn2)c1 ZINC000643547564 430616200 /nfs/dbraw/zinc/61/62/00/430616200.db2.gz HCPWZZUVLFOFNC-GDBMZVCRSA-N 2 0 311.433 2.593 20 0 DFADRP C[C@H](CC(=O)Nc1ccccc1)[NH2+][C@H]1CC[NH2+]C2(CCC2)C1 ZINC000643545681 430616337 /nfs/dbraw/zinc/61/63/37/430616337.db2.gz AHUFSTHRIIETSU-ZBFHGGJFSA-N 2 0 301.434 2.668 20 0 DFADRP C[C@H]([NH2+][C@@H]1CC[NH2+]C2(CCC2)C1)c1cccc(-n2ccnn2)c1 ZINC000643547565 430616354 /nfs/dbraw/zinc/61/63/54/430616354.db2.gz HCPWZZUVLFOFNC-GOEBONIOSA-N 2 0 311.433 2.593 20 0 DFADRP C[C@@H]([NH2+][C@@H]1CC[NH2+]C2(CCC2)C1)c1ccc2c(c1)CCC(=O)N2 ZINC000643546631 430616376 /nfs/dbraw/zinc/61/63/76/430616376.db2.gz RZLNDRHFUCUKAW-CZUORRHYSA-N 2 0 313.445 2.897 20 0 DFADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C[NH2+][C@H]1CO[C@@H](C2CC2)C1 ZINC000639360403 430620294 /nfs/dbraw/zinc/62/02/94/430620294.db2.gz WYHXCCXIYMBZTN-XWPNQZOQSA-N 2 0 314.473 2.912 20 0 DFADRP Cc1cccc(CC[C@@H](C)[NH2+][C@@H]2CCC[C@@H]2N2CC[C@@H](O)C2)c1 ZINC000639369954 430623928 /nfs/dbraw/zinc/62/39/28/430623928.db2.gz BIAANROWDONBHE-AFYVEPGGSA-N 2 0 316.489 2.893 20 0 DFADRP C[C@H](CCc1ccccc1)[NH2+][C@@H]1CCC[C@@H]1N1CC[C@@H](O)C1 ZINC000639373695 430624974 /nfs/dbraw/zinc/62/49/74/430624974.db2.gz SYDOXNCUOLHFGV-OWYHZJEWSA-N 2 0 302.462 2.585 20 0 DFADRP CC(C)(O)C[NH+]1CCC([NH2+]CC2([C@@H]3CCCCO3)CCC2)CC1 ZINC000639389961 430632656 /nfs/dbraw/zinc/63/26/56/430632656.db2.gz VFIHVXUHNJAFDB-KRWDZBQOSA-N 2 0 324.509 2.551 20 0 DFADRP CCC[C@H](O)C[NH2+][C@H]1CCN(Cc2ccccc2)C2(CC2)C1 ZINC000571641153 430643617 /nfs/dbraw/zinc/64/36/17/430643617.db2.gz DJMYSNZWSFERHB-ROUUACIJSA-N 2 0 302.462 2.934 20 0 DFADRP COc1ccccc1OCC[NH2+][C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1 ZINC000571669399 430644559 /nfs/dbraw/zinc/64/45/59/430644559.db2.gz LCZSHEVNKFFNPA-GVDBMIGSSA-N 2 0 318.461 2.974 20 0 DFADRP COc1ccc2c(c1)C[C@H]([NH2+]C1CC(C)(C)[NH2+]C(C)(C)C1)CO2 ZINC000296211473 277966275 /nfs/dbraw/zinc/96/62/75/277966275.db2.gz ZLUHTYIGNTVBRD-AWEZNQCLSA-N 2 0 318.461 2.898 20 0 DFADRP CC(C)[NH+]1CCN([C@H]2CC[N@@H+]([C@H]3C=CCCCCC3)C2)CC1 ZINC000555377747 430666308 /nfs/dbraw/zinc/66/63/08/430666308.db2.gz UOWPABCQAGVOJG-OALUTQOASA-N 2 0 305.510 2.976 20 0 DFADRP Cc1ccc(NC(=O)[C@@H](C)Cc2c[nH]cn2)c(C[NH+](C)C)c1 ZINC000572176739 430674938 /nfs/dbraw/zinc/67/49/38/430674938.db2.gz IRBJXHDIDNHHEY-ZDUSSCGKSA-N 2 0 300.406 2.597 20 0 DFADRP CC[C@H]([NH2+]C[C@@H]1CCC[N@H+](C)C1)c1ccc(C(=O)OC)cc1 ZINC000556094038 430678845 /nfs/dbraw/zinc/67/88/45/430678845.db2.gz OPALQFZZWXGXBS-YOEHRIQHSA-N 2 0 304.434 2.856 20 0 DFADRP Cc1ncsc1CC[NH2+]Cc1cn(-c2cc[nH+]cc2)nc1C ZINC000556165136 430680341 /nfs/dbraw/zinc/68/03/41/430680341.db2.gz YHKRWJOQVHEVMP-UHFFFAOYSA-N 2 0 313.430 2.673 20 0 DFADRP CC(C)[N@H+](C)CC1CCN(C(=O)[C@@H]2CCCCCC[C@@H]2[NH3+])CC1 ZINC000572359233 430683413 /nfs/dbraw/zinc/68/34/13/430683413.db2.gz AEEIBZAFTFOGRU-MSOLQXFVSA-N 2 0 323.525 2.863 20 0 DFADRP CCN1CCC([NH+]2CCC(C(=O)NCC(C)(C)CC)CC2)CC1 ZINC000572376879 430684948 /nfs/dbraw/zinc/68/49/48/430684948.db2.gz WHYMVKAOJCHNLU-UHFFFAOYSA-N 2 0 323.525 2.735 20 0 DFADRP C[C@H](C(=O)NC[C@@H](c1ccsc1)[NH+](C)C)[NH+]1CCCCCC1 ZINC000266505017 278151693 /nfs/dbraw/zinc/15/16/93/278151693.db2.gz GLTPMOZMHMAPHS-ZBFHGGJFSA-N 2 0 323.506 2.732 20 0 DFADRP C[C@@H](C(=O)Nc1ccc(C[NH+](C)C)cc1)[NH+]1CCCCCC1 ZINC000266524599 278214463 /nfs/dbraw/zinc/21/44/63/278214463.db2.gz DEPMECDEGVKLPP-HNNXBMFYSA-N 2 0 303.450 2.951 20 0 DFADRP C[C@@H](CC[NH+](C)C)[NH2+]C1CCC2(CC1)c1ccccc1NC2=O ZINC000268975213 278228928 /nfs/dbraw/zinc/22/89/28/278228928.db2.gz GTRJBBBWMLHZTL-XVTSOASTSA-N 2 0 315.461 2.749 20 0 DFADRP C[C@H]([NH3+])[C@H](C)C(=O)NCc1ccccc1C[N@@H+]1CCCC[C@@H]1C ZINC000249069800 278229310 /nfs/dbraw/zinc/22/93/10/278229310.db2.gz QHELQHLETSKYQJ-JYJNAYRXSA-N 2 0 317.477 2.661 20 0 DFADRP CCOC(=O)[C@@H](c1ccccc1)N1CC[C@@H](c2nccn2C)C1 ZINC000572658675 430693873 /nfs/dbraw/zinc/69/38/73/430693873.db2.gz DGPJDAJDCQIAFK-HZPDHXFCSA-N 2 0 313.401 2.514 20 0 DFADRP CC(C)[C@H]1CC[C@@H]1[NH2+]CC1CC[NH+](CC(=O)NC(C)(C)C)CC1 ZINC000556867908 430695508 /nfs/dbraw/zinc/69/55/08/430695508.db2.gz CARZEZRVOIHREE-SJORKVTESA-N 2 0 323.525 2.637 20 0 DFADRP C[C@H]1CCC[C@H](C)C1[NH2+]Cc1ccnc(N2CC[NH+](C)CC2)c1 ZINC000159177893 278350508 /nfs/dbraw/zinc/35/05/08/278350508.db2.gz WANKKLHFHIUMKJ-HOTGVXAUSA-N 2 0 316.493 2.748 20 0 DFADRP CC1(C)C[C@@H]([NH2+]C2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)C(C)(C)O1 ZINC000090523791 278368896 /nfs/dbraw/zinc/36/88/96/278368896.db2.gz RQNFSNMPBWMXCW-IXDOHACOSA-N 2 0 324.509 2.690 20 0 DFADRP Cc1cncc(CC[NH2+]C2CC[NH+](C3CCCCC3)CC2)n1 ZINC000657713749 430715568 /nfs/dbraw/zinc/71/55/68/430715568.db2.gz WWJGMILFJLNZSP-UHFFFAOYSA-N 2 0 302.466 2.714 20 0 DFADRP CCCc1cccc(C[NH2+]C2CCN([C@H]3CCOC3)CC2)c1 ZINC000657752247 430725082 /nfs/dbraw/zinc/72/50/82/430725082.db2.gz OEXUSGCRSYSBAQ-IBGZPJMESA-N 2 0 302.462 2.982 20 0 DFADRP CCCc1ccc(C[NH2+]C2CCN([C@@H]3CCOC3)CC2)cc1 ZINC000657752886 430725441 /nfs/dbraw/zinc/72/54/41/430725441.db2.gz WDHDJFLAWUKUEI-LJQANCHMSA-N 2 0 302.462 2.982 20 0 DFADRP Fc1ccc(/C=C\C[NH2+]C2CCN([C@H]3CCOC3)CC2)c(F)c1 ZINC000657751208 430726273 /nfs/dbraw/zinc/72/62/73/430726273.db2.gz HBCLPTYBNKOOAH-YYZONTRBSA-N 2 0 322.399 2.821 20 0 DFADRP CC[C@H]1C[C@@H]([NH2+]Cc2cccc(OCC[NH+](C)C)c2)CCO1 ZINC000648427720 430781807 /nfs/dbraw/zinc/78/18/07/430781807.db2.gz TUDYAEPSMOMTLW-IRXDYDNUSA-N 2 0 306.450 2.674 20 0 DFADRP CC(C)C[NH+]1CCC([NH2+]CCC(=O)Nc2ccccc2F)CC1 ZINC000644530231 430745259 /nfs/dbraw/zinc/74/52/59/430745259.db2.gz YPVVZHRFXVFRTF-UHFFFAOYSA-N 2 0 321.440 2.864 20 0 DFADRP CCC[NH+]1CCC(C[NH2+]CCC(=O)Nc2ccccc2F)CC1 ZINC000644533170 430746244 /nfs/dbraw/zinc/74/62/44/430746244.db2.gz AQPHDIFFSYAFBE-UHFFFAOYSA-N 2 0 321.440 2.866 20 0 DFADRP C[C@@H]([NH2+][C@@H]1CCN(c2ccccc2F)C1)C1CC[NH+](C)CC1 ZINC000644558347 430751942 /nfs/dbraw/zinc/75/19/42/430751942.db2.gz RVTSFWPGBXZTDK-GDBMZVCRSA-N 2 0 305.441 2.724 20 0 DFADRP CCC(C)(C)[NH+]1CCN(C(=O)NCc2cc(C)nc(C)c2)CC1 ZINC000654594945 430752375 /nfs/dbraw/zinc/75/23/75/430752375.db2.gz RNULGMBBMLRZME-UHFFFAOYSA-N 2 0 318.465 2.714 20 0 DFADRP C[C@@H]([NH2+][C@H]1CCN(c2ccccc2F)C1)C1CC[NH+](C)CC1 ZINC000644558350 430753254 /nfs/dbraw/zinc/75/32/54/430753254.db2.gz RVTSFWPGBXZTDK-ZBFHGGJFSA-N 2 0 305.441 2.724 20 0 DFADRP c1ccc(CC[N@@H+]2CC[C@@H](C[NH2+][C@H]3COC4(CCC4)C3)C2)cc1 ZINC000657867805 430755939 /nfs/dbraw/zinc/75/59/39/430755939.db2.gz PKFMLLPORLIZOC-RBUKOAKNSA-N 2 0 314.473 2.852 20 0 DFADRP C[NH+]1CCC(N2CC[C@H]([NH2+][C@@H]3[C@@H]4CCC[C@@H]4C3(C)C)C2)CC1 ZINC000657881963 430758305 /nfs/dbraw/zinc/75/83/05/430758305.db2.gz ZZRSVLVCBKCOSX-XOYOTBSWSA-N 2 0 305.510 2.569 20 0 DFADRP CC(C)C[N@@H+]1CC[C@@H](C[NH2+]CCC(=O)Nc2ccccc2F)C1 ZINC000644588678 430761216 /nfs/dbraw/zinc/76/12/16/430761216.db2.gz FJSSIBTYVGJWMK-HNNXBMFYSA-N 2 0 321.440 2.722 20 0 DFADRP COC[C@H](CC1CCOCC1)[NH2+][C@H](CC[NH+](C)C)C(C)(C)C ZINC000657886138 430761998 /nfs/dbraw/zinc/76/19/98/430761998.db2.gz HKWDIPFJKRMSDP-DLBZAZTESA-N 2 0 314.514 2.774 20 0 DFADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)[C@@H]1C[C@H]1C1CCCC1 ZINC000651328278 430765938 /nfs/dbraw/zinc/76/59/38/430765938.db2.gz UHDXHUHDLXMERG-ZWKOTPCHSA-N 2 0 323.525 2.545 20 0 DFADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)[C@H]1C[C@H]1C1CCCC1 ZINC000651328277 430767098 /nfs/dbraw/zinc/76/70/98/430767098.db2.gz UHDXHUHDLXMERG-ROUUACIJSA-N 2 0 323.525 2.545 20 0 DFADRP COC[C@@H](CC1CCOCC1)[NH2+]C1CCC(C[NH+](C)C)CC1 ZINC000657932832 430770810 /nfs/dbraw/zinc/77/08/10/430770810.db2.gz RJPWOPMPUONYFS-DAWZGUTISA-N 2 0 312.498 2.528 20 0 DFADRP O=C(CC[NH2+][C@H]1CCc2nc[nH]c2C1)Nc1cccc(Cl)c1 ZINC000644650855 430778955 /nfs/dbraw/zinc/77/89/55/430778955.db2.gz BLGOOYKLPLXSHQ-LBPRGKRZSA-N 2 0 318.808 2.539 20 0 DFADRP C[C@@H](CCN1CC[NH+](C)CC1)[NH2+]C1CCC(C2CCC2)CC1 ZINC000657976527 430779016 /nfs/dbraw/zinc/77/90/16/430779016.db2.gz OYQLEEBAHBJOQB-IVMQYODDSA-N 2 0 307.526 2.961 20 0 DFADRP COC[C@H](CC1CCOCC1)[NH2+]CC(C)(C)C[NH+]1CCCC1 ZINC000657988530 430780264 /nfs/dbraw/zinc/78/02/64/430780264.db2.gz AXJVTMUVATWTHO-KRWDZBQOSA-N 2 0 312.498 2.530 20 0 DFADRP C[C@@H](CN(C)CCC[NH+](C)C)[NH2+][C@@H](C)c1cc2cnccc2o1 ZINC000658106238 430812789 /nfs/dbraw/zinc/81/27/89/430812789.db2.gz GRXCSCFJNXRMTG-GJZGRUSLSA-N 2 0 318.465 2.750 20 0 DFADRP C[C@@H](CN(C)CCC[NH+](C)C)[NH2+]C1CCC(C(F)F)CC1 ZINC000658106088 430813170 /nfs/dbraw/zinc/81/31/70/430813170.db2.gz FQTUFOQMTMOLKT-NFOMZHRRSA-N 2 0 305.457 2.672 20 0 DFADRP C[C@@H](CN(C)CCC[NH+](C)C)[NH2+]C1CC(c2ccccc2F)C1 ZINC000658109791 430814316 /nfs/dbraw/zinc/81/43/16/430814316.db2.gz XNCXOQSGBQQPQV-GTPINHCMSA-N 2 0 321.484 2.933 20 0 DFADRP C[C@@H]([NH2+][C@@H](C)CN(C)CCC[NH+](C)C)c1cc(F)ccc1F ZINC000658109713 430814885 /nfs/dbraw/zinc/81/48/85/430814885.db2.gz VJALTPMIFWLCHV-UONOGXRCSA-N 2 0 313.436 2.887 20 0 DFADRP C[C@@H](CN(C)CCC[NH+](C)C)[NH2+][C@@H](C)c1ccc(F)cc1F ZINC000658109134 430815635 /nfs/dbraw/zinc/81/56/35/430815635.db2.gz QZLIWGTVVNADSB-KBPBESRZSA-N 2 0 313.436 2.887 20 0 DFADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]CCc2cnccc2C)[C@H](C)C1 ZINC000658126461 430818822 /nfs/dbraw/zinc/81/88/22/430818822.db2.gz MGMQKKLNQPEOIF-MJGOQNOKSA-N 2 0 319.493 2.659 20 0 DFADRP CC[C@@H]([NH2+]Cc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1)C1CCC1 ZINC000658136416 430820280 /nfs/dbraw/zinc/82/02/80/430820280.db2.gz IEPVQRUHIOKYHX-RBUKOAKNSA-N 2 0 302.462 2.922 20 0 DFADRP CC[NH+]1CCC([NH2+]C[C@](C)(COCc2ccccc2)OC)CC1 ZINC000658131617 430820406 /nfs/dbraw/zinc/82/04/06/430820406.db2.gz FBBVATADUBSOTJ-LJQANCHMSA-N 2 0 320.477 2.682 20 0 DFADRP O[C@H]1CC[N@H+](Cc2ccc(C[NH2+][C@@H]3CCC34CCC4)cc2)C1 ZINC000658136535 430820427 /nfs/dbraw/zinc/82/04/27/430820427.db2.gz HKEPRKREIOWQED-ZWKOTPCHSA-N 2 0 300.446 2.676 20 0 DFADRP CCCC[C@H](COC)[NH2+]Cc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1 ZINC000658138568 430822861 /nfs/dbraw/zinc/82/28/61/430822861.db2.gz JJWAYDRCSTURHE-RTBURBONSA-N 2 0 320.477 2.548 20 0 DFADRP CC1(C)CCC[C@H]1[NH2+]Cc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1 ZINC000658140348 430823285 /nfs/dbraw/zinc/82/32/85/430823285.db2.gz PZZNQKRZHZBRNE-QZTJIDSGSA-N 2 0 302.462 2.922 20 0 DFADRP OC/C=C\C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H]2CCC[C@H]21 ZINC000658141739 430823426 /nfs/dbraw/zinc/82/34/26/430823426.db2.gz XVYAXMCPHATPTN-BLUNUBTQSA-N 2 0 300.446 2.568 20 0 DFADRP CC1CC[NH+](CCC[NH2+][C@@H]2CCO[C@@H](C(F)(F)F)C2)CC1 ZINC000314774016 278540228 /nfs/dbraw/zinc/54/02/28/278540228.db2.gz KBDGGSNTPAOJGF-ZIAGYGMSSA-N 2 0 308.388 2.808 20 0 DFADRP Cn1cncc1CCN1C[C@H](c2cccc(F)c2)OCC1(C)C ZINC000661736285 430824067 /nfs/dbraw/zinc/82/40/67/430824067.db2.gz OHUXLNXXCMOPBQ-QGZVFWFLSA-N 2 0 317.408 2.954 20 0 DFADRP CC1CC[NH+]([C@@H](CNC(=O)C2([NH3+])CCC2)c2cccs2)CC1 ZINC000296915326 278549972 /nfs/dbraw/zinc/54/99/72/278549972.db2.gz RQSZXFMCMDWEAT-AWEZNQCLSA-N 2 0 321.490 2.519 20 0 DFADRP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+][C@H](C)C(C)(C)O)CC1 ZINC000648439876 430786312 /nfs/dbraw/zinc/78/63/12/430786312.db2.gz HDRPQIPCQKJJIO-HZPDHXFCSA-N 2 0 304.478 2.831 20 0 DFADRP C[C@@H]([NH2+]C[C@H]1CCN1C(C)(C)C)c1cccc(-n2ccnn2)c1 ZINC000658060867 430795050 /nfs/dbraw/zinc/79/50/50/430795050.db2.gz NMMBZJLAPAKJIL-RHSMWYFYSA-N 2 0 313.449 2.791 20 0 DFADRP C[C@H]([NH2+][C@@H]1COC(C)(C)C1)c1cccc(OCC[NH+](C)C)c1 ZINC000658058029 430796540 /nfs/dbraw/zinc/79/65/40/430796540.db2.gz LCZZZWBLBFJWAJ-HOCLYGCPSA-N 2 0 306.450 2.845 20 0 DFADRP Cc1cncc([C@@H](C)[NH2+]CC2CC[NH+](C3CCOCC3)CC2)c1 ZINC000658069215 430798370 /nfs/dbraw/zinc/79/83/70/430798370.db2.gz CYHHWXOTEXKJGO-MRXNPFEDSA-N 2 0 317.477 2.932 20 0 DFADRP CO[C@H](C[NH2+]C1CC[NH+]([C@@H]2CCCC[C@H]2C)CC1)[C@H]1CCOC1 ZINC000658075107 430802467 /nfs/dbraw/zinc/80/24/67/430802467.db2.gz WAJGPHYFDJYWSW-UKBAYJJMSA-N 2 0 324.509 2.671 20 0 DFADRP C[N@@H+]1CC[C@H]([NH2+]C2CCC(OC(F)F)CC2)[C@H]2CCC[C@H]21 ZINC000651467929 430802965 /nfs/dbraw/zinc/80/29/65/430802965.db2.gz NFSXALQIQNOEOJ-IPOFZDNWSA-N 2 0 302.409 2.999 20 0 DFADRP COC[C@H](CC[NH2+][C@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1)OC ZINC000658086025 430806836 /nfs/dbraw/zinc/80/68/36/430806836.db2.gz SYGQOBDXAMKLJV-NEWSRXKRSA-N 2 0 320.477 2.538 20 0 DFADRP C[C@@H]([NH2+]Cc1cccnc1N1CCCC1)C1CC[NH+](C)CC1 ZINC000658100110 430810995 /nfs/dbraw/zinc/81/09/95/430810995.db2.gz GDSGWURORJXSQO-OAHLLOKOSA-N 2 0 302.466 2.502 20 0 DFADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]C[C@@]2(C)CC2(F)F)[C@@H](C)C1 ZINC000658223404 430845908 /nfs/dbraw/zinc/84/59/08/430845908.db2.gz YZQAGBMKOIJMNQ-SOUVJXGZSA-N 2 0 304.425 2.758 20 0 DFADRP Cn1cc(C[C@H]2CCC[C@@H]2[NH2+]C2CC[NH+](C(C)(C)C)CC2)cn1 ZINC000658236518 430848003 /nfs/dbraw/zinc/84/80/03/430848003.db2.gz SYAHXZNOGQXCKY-AEFFLSMTSA-N 2 0 318.509 2.984 20 0 DFADRP CC[C@@]1(C)CCC[C@@H]1[NH2+]Cc1cccnc1N1CC[NH+](C)CC1 ZINC000651692646 430851117 /nfs/dbraw/zinc/85/11/17/430851117.db2.gz MWDCIRWLIBFVBJ-HKUYNNGSSA-N 2 0 316.493 2.892 20 0 DFADRP C[C@@H]1CCCCC[C@H]1[NH2+]Cc1cccnc1N1CC[NH+](C)CC1 ZINC000651692768 430851206 /nfs/dbraw/zinc/85/12/06/430851206.db2.gz QUNYSXYXRHEPNV-SJLPKXTDSA-N 2 0 316.493 2.892 20 0 DFADRP COCCC[NH+]1CCC([NH2+][C@@H](COC)CC(C)(C)C)CC1 ZINC000651694669 430851749 /nfs/dbraw/zinc/85/17/49/430851749.db2.gz MXARZGKPQDPIDA-MRXNPFEDSA-N 2 0 300.487 2.528 20 0 DFADRP Cc1ccc(C[NH2+][C@@H]2CCN(C3CC[NH+](C)CC3)C2)c(Cl)c1 ZINC000651709117 430855922 /nfs/dbraw/zinc/85/59/22/430855922.db2.gz KVJCJCKENXBPQS-MRXNPFEDSA-N 2 0 321.896 2.907 20 0 DFADRP [NH3+]C[C@@H]1CCC[C@H]1[NH2+]C[C@@H]1CCN(c2ccccc2Cl)C1 ZINC000665234736 430863446 /nfs/dbraw/zinc/86/34/46/430863446.db2.gz JMQWBBDCERURAQ-OFQRWUPVSA-N 2 0 307.869 2.883 20 0 DFADRP [NH3+][C@H]1CCCCC[C@H]1[NH2+]CC1CC[NH+](Cc2ccncc2)CC1 ZINC000665240634 430866919 /nfs/dbraw/zinc/86/69/19/430866919.db2.gz PMNUWMQYJVLLJB-RBUKOAKNSA-N 3 0 316.493 2.543 20 0 DFADRP CCC[NH+]1CCC([NH2+]CC2(CC(=O)NC)CCCCC2)CC1 ZINC000658304499 430871526 /nfs/dbraw/zinc/87/15/26/430871526.db2.gz GGDAVICMKIYASO-UHFFFAOYSA-N 2 0 309.498 2.537 20 0 DFADRP Cc1nn(-c2cccc(C)c2)cc1CN(C)C[C@@H]1CC[N@H+](C)C1 ZINC000651774723 430873465 /nfs/dbraw/zinc/87/34/65/430873465.db2.gz OWRIXXIYHGHAKO-QGZVFWFLSA-N 2 0 312.461 2.873 20 0 DFADRP C[C@H](COc1c(F)cccc1F)[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000665261809 430874242 /nfs/dbraw/zinc/87/42/42/430874242.db2.gz LWOGXKIFJRHMIM-ZOBORPQBSA-N 2 0 310.388 2.710 20 0 DFADRP C[C@H]([NH2+]CC1CC[NH+](CC2CC2)CC1)c1cc2n(n1)CCC2 ZINC000658353318 430882504 /nfs/dbraw/zinc/88/25/04/430882504.db2.gz LQQNNGPWLQLTAU-AWEZNQCLSA-N 2 0 302.466 2.602 20 0 DFADRP CC1(C)[C@H]([NH2+]CC2CC[NH+](CC3CC3)CC2)[C@@H]2CCCO[C@@H]21 ZINC000658355503 430882911 /nfs/dbraw/zinc/88/29/11/430882911.db2.gz JEHVVZASRWUCFT-KSZLIROESA-N 2 0 306.494 2.902 20 0 DFADRP c1ccc(CN2CC[C@H]2C[NH2+]C2CC[NH+](CC3CC3)CC2)cc1 ZINC000658347048 430882984 /nfs/dbraw/zinc/88/29/84/430882984.db2.gz GKEZKLCJVZLKFW-FQEVSTJZSA-N 2 0 313.489 2.725 20 0 DFADRP Fc1ccc(OC(F)F)c(C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000665283861 430883410 /nfs/dbraw/zinc/88/34/10/430883410.db2.gz WJLLYKLEGVWEKL-UHIISALHSA-N 2 0 314.351 2.905 20 0 DFADRP C[NH2+]CCCC(=O)N1CCC([NH2+][C@@H](C)c2cccc(C)c2)CC1 ZINC000665285594 430883721 /nfs/dbraw/zinc/88/37/21/430883721.db2.gz QYJISAWNCUPHHH-INIZCTEOSA-N 2 0 317.477 2.636 20 0 DFADRP C[NH2+]CCCC(=O)N1CCC([NH2+][C@@H](C)CCC=C(C)C)CC1 ZINC000665285183 430884973 /nfs/dbraw/zinc/88/49/73/430884973.db2.gz GDEAKLSMJARSOQ-INIZCTEOSA-N 2 0 309.498 2.702 20 0 DFADRP CCCC[C@@H](C)[C@@H](C)[NH2+]C1CCN(C(=O)CCC[NH2+]C)CC1 ZINC000665289681 430886049 /nfs/dbraw/zinc/88/60/49/430886049.db2.gz USFHQQKCSTUAFC-HZPDHXFCSA-N 2 0 311.514 2.781 20 0 DFADRP C[NH2+]CCCC(=O)N1CCC([NH2+][C@H](C)[C@H]2CCCC[C@@H]2C)CC1 ZINC000665289184 430886216 /nfs/dbraw/zinc/88/62/16/430886216.db2.gz INESQBYFIRASDE-JZXOWHBKSA-N 2 0 323.525 2.781 20 0 DFADRP C[NH2+]CCCC(=O)N1CCC([NH2+][C@@H]2CCCC(C)(C)C2)CC1 ZINC000665287357 430887133 /nfs/dbraw/zinc/88/71/33/430887133.db2.gz JBDOIUXKVNUWPI-MRXNPFEDSA-N 2 0 309.498 2.535 20 0 DFADRP C[C@H]([NH3+])[C@@H](Cc1ccccc1)NC[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000665299839 430890914 /nfs/dbraw/zinc/89/09/14/430890914.db2.gz UHHMQODAKORSBP-PWIZWCRZSA-N 2 0 315.505 2.657 20 0 DFADRP Cc1cc(C[NH3+])cc(NC(=O)N2CC[C@@H]([NH+]3CCCC3)[C@H]2C)c1 ZINC000332009541 278685982 /nfs/dbraw/zinc/68/59/82/278685982.db2.gz YYNMTJYMZRPUHC-RHSMWYFYSA-N 2 0 316.449 2.544 20 0 DFADRP CC[N@H+](CCC[NH2+]C[C@@H]1CNc2ccnn2C1)C1CCCCC1 ZINC000651909548 430913317 /nfs/dbraw/zinc/91/33/17/430913317.db2.gz NZAZTOCDAKYCSZ-MRXNPFEDSA-N 2 0 319.497 2.559 20 0 DFADRP COC[C@H]1CCC[N@H+](Cc2ccc(OCC[NH+](C)C)cc2)CC1 ZINC000648867130 430919732 /nfs/dbraw/zinc/91/97/32/430919732.db2.gz SGKFYUJQWSDWCL-SFHVURJKSA-N 2 0 320.477 2.876 20 0 DFADRP CC[N@H+](Cc1cn(-c2cc[nH+]cc2)nc1C)[C@@H]1CCCOC1 ZINC000651948880 430922045 /nfs/dbraw/zinc/92/20/45/430922045.db2.gz YXPHKVVZJPOWER-QGZVFWFLSA-N 2 0 300.406 2.577 20 0 DFADRP CCc1noc(C)c1C[NH2+]Cc1ccc(OCC[NH+](C)C)cc1 ZINC000645187466 430929941 /nfs/dbraw/zinc/92/99/41/430929941.db2.gz LVKZWOJHSQKHMH-UHFFFAOYSA-N 2 0 317.433 2.776 20 0 DFADRP C[C@H]1C[N@H+](Cc2ccc(OCC[NH+](C)C)cc2)C2(CCC2)CO1 ZINC000651975730 430931250 /nfs/dbraw/zinc/93/12/50/430931250.db2.gz LWGAIRPVDUTBOK-INIZCTEOSA-N 2 0 318.461 2.770 20 0 DFADRP CC[C@@H]([NH2+]Cc1ccc(OCC[NH+]2CCCC2)cc1)C(C)(C)O ZINC000645210155 430938046 /nfs/dbraw/zinc/93/80/46/430938046.db2.gz SFBAKPPINAMRJN-GOSISDBHSA-N 2 0 320.477 2.800 20 0 DFADRP C[N@H+](CCC(=O)N[C@@H]1CCC[NH+]2CCCC[C@@H]12)C1CCCCC1 ZINC000655349944 430971925 /nfs/dbraw/zinc/97/19/25/430971925.db2.gz MTXPIBLGKOWGLB-MSOLQXFVSA-N 2 0 321.509 2.774 20 0 DFADRP Cc1cccc(Cl)c1CN1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000662152709 430979233 /nfs/dbraw/zinc/97/92/33/430979233.db2.gz YBRGZDARIRTXFQ-OAHLLOKOSA-N 2 0 308.853 2.679 20 0 DFADRP C[C@H]([NH2+]CCOCC[NH+](C)C)c1ccc(-c2ccccc2)cn1 ZINC000652192544 430983341 /nfs/dbraw/zinc/98/33/41/430983341.db2.gz DNXHGGVWCRNRGS-INIZCTEOSA-N 2 0 313.445 2.977 20 0 DFADRP CC[N@H+](CCCNC(=O)NC1CCC([NH3+])CC1)C1CCCCC1 ZINC000652206840 430986145 /nfs/dbraw/zinc/98/61/45/430986145.db2.gz VOZQYRCHVHDXKF-UHFFFAOYSA-N 2 0 324.513 2.600 20 0 DFADRP CCC[C@H](C)C(=O)NCC[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000645475265 431012173 /nfs/dbraw/zinc/01/21/73/431012173.db2.gz XJAZMNVTNLDYPH-INIZCTEOSA-N 2 0 323.525 2.926 20 0 DFADRP CCCN(C(=O)[C@H]1CC[NH+](C2CCCCC2)C1)[C@@H]1CC[N@H+](C)C1 ZINC000648998207 430964122 /nfs/dbraw/zinc/96/41/22/430964122.db2.gz GVXMHIILXPPHDB-FUHWJXTLSA-N 2 0 321.509 2.584 20 0 DFADRP CCc1nccn1[C@H]1CCC[N@H+](Cc2cccc3c2CC[NH2+]C3)C1 ZINC000662263607 431021098 /nfs/dbraw/zinc/02/10/98/431021098.db2.gz NMMYAUATRAAHGH-SFHVURJKSA-N 2 0 324.472 2.928 20 0 DFADRP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](CCc3nsc4ccccc43)C[C@H]21 ZINC000662266197 431021461 /nfs/dbraw/zinc/02/14/61/431021461.db2.gz KMNREYPYPVGZMG-BPLDGKMQSA-N 2 0 301.459 2.898 20 0 DFADRP CO[C@H](CN(Cc1ccccn1)[C@@H]1CCC[NH2+]CC1)C1CCC1 ZINC000662264844 431022335 /nfs/dbraw/zinc/02/23/35/431022335.db2.gz SPAAUSDKYOBMRF-RTBURBONSA-N 2 0 317.477 2.841 20 0 DFADRP [NH3+]C[C@]12CCC[C@H]1CN(Cc1nc3ccccc3n1C(F)F)C2 ZINC000652352165 431026865 /nfs/dbraw/zinc/02/68/65/431026865.db2.gz NKVFWXIFNWAKAZ-SJCJKPOMSA-N 2 0 320.387 2.992 20 0 DFADRP CCc1ccccc1C[N@@H+]1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1 ZINC000652349217 431027773 /nfs/dbraw/zinc/02/77/73/431027773.db2.gz FYOLGGDLUDQBJI-OTWHNJEPSA-N 2 0 302.462 2.967 20 0 DFADRP C[C@H]1CCC[N@H+](CCOCCOc2ccccc2)[C@@H]1CC[NH3+] ZINC000652354438 431029417 /nfs/dbraw/zinc/02/94/17/431029417.db2.gz YRDDRJKXJVQBLN-FUHWJXTLSA-N 2 0 306.450 2.531 20 0 DFADRP C[C@@H]1CCC[N@H+](CCCOc2ccc3c(c2)OCO3)[C@@H]1CC[NH3+] ZINC000652354745 431030178 /nfs/dbraw/zinc/03/01/78/431030178.db2.gz HFQPJEVXEBSWBU-GDBMZVCRSA-N 2 0 320.433 2.634 20 0 DFADRP CCc1nc2c(s1)[C@@H]([N@H+](C)C[C@H]1CCC3(C[NH2+]C3)O1)CCC2 ZINC000662278279 431030420 /nfs/dbraw/zinc/03/04/20/431030420.db2.gz DPJVIZXFDMVZFC-OCCSQVGLSA-N 2 0 321.490 2.536 20 0 DFADRP C[C@H]1C[N@H+](C[C@H](O)[C@@H]([NH3+])Cc2ccccc2)CCc2ccccc21 ZINC000652358706 431031307 /nfs/dbraw/zinc/03/13/07/431031307.db2.gz GLQNUNRHKRYOKK-NDXORKPFSA-N 2 0 324.468 2.579 20 0 DFADRP c1cc(C[NH2+][C@@H]2CCCC23CCOCC3)c2c(c1)C[NH2+]CC2 ZINC000662284725 431032530 /nfs/dbraw/zinc/03/25/30/431032530.db2.gz ZMWBXRPQJMMERL-GOSISDBHSA-N 2 0 300.446 2.771 20 0 DFADRP CN1CC[C@H]([NH2+]Cc2cccc3c2CC[NH2+]C3)[C@@H]1c1ccccc1 ZINC000662284546 431032753 /nfs/dbraw/zinc/03/27/53/431032753.db2.gz ZBKSWBSZSCKTIV-SFTDATJTSA-N 2 0 321.468 2.867 20 0 DFADRP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCC[N@@H+]2CCCc2ccccc2)C1 ZINC000652360806 431032958 /nfs/dbraw/zinc/03/29/58/431032958.db2.gz QRZFRFYTZUXXRZ-QYZOEREBSA-N 2 0 302.462 2.980 20 0 DFADRP C[C@@H]1CCCC[C@@H]1OCC[N@@H+]1CCCC[C@@H]1[C@H]1C[C@H]([NH3+])CCO1 ZINC000652361830 431033453 /nfs/dbraw/zinc/03/34/53/431033453.db2.gz QKFBLLGUMGBGLF-IEWDOMPSSA-N 2 0 324.509 2.943 20 0 DFADRP CO[C@H](C[NH+]1CCC([C@H]2OCCC[C@@H]2[NH3+])CC1)c1ccccc1 ZINC000662282382 431033597 /nfs/dbraw/zinc/03/35/97/431033597.db2.gz UIYYZGYKVGZKNU-IPMKNSEASA-N 2 0 318.461 2.592 20 0 DFADRP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCC[N@@H+]2CCOCc2ccccc2)C1 ZINC000662282560 431033717 /nfs/dbraw/zinc/03/37/17/431033717.db2.gz CGMYFESBKLMAIA-GUDVDZBRSA-N 2 0 318.461 2.564 20 0 DFADRP C[C@H](c1nc(C2CC2)no1)[N@@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662294663 431034144 /nfs/dbraw/zinc/03/41/44/431034144.db2.gz DNYGORYKYSUBGO-DOMZBBRYSA-N 2 0 304.438 2.720 20 0 DFADRP C[C@H](C(=O)Nc1ccccc1)[N@@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662295786 431037213 /nfs/dbraw/zinc/03/72/13/431037213.db2.gz UDSPATCBLKRBID-WBVHZDCISA-N 2 0 315.461 2.725 20 0 DFADRP CC(C)CCc1noc(C[N@@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)n1 ZINC000662295159 431037897 /nfs/dbraw/zinc/03/78/97/431037897.db2.gz FPHXCVWUAXQAOZ-INIZCTEOSA-N 2 0 320.481 2.870 20 0 DFADRP CC(C)N(C(=O)[C@@H](C)[N@@H+]1CCC[C@H](C2CC[NH2+]CC2)C1)C(C)C ZINC000662296845 431038837 /nfs/dbraw/zinc/03/88/37/431038837.db2.gz NXPCUYPDSKYMPP-AEFFLSMTSA-N 2 0 323.525 2.732 20 0 DFADRP [NH3+]C[C@@H]1CCc2ccccc2N1Cc1cccc2c1CC[NH2+]C2 ZINC000662305452 431039781 /nfs/dbraw/zinc/03/97/81/431039781.db2.gz RLKYDERZFXIVOA-SFHVURJKSA-N 2 0 307.441 2.612 20 0 DFADRP CN(CCc1ccccc1)[C@@H]1CC[N@H+](CCC2CC[NH2+]CC2)C1 ZINC000662306239 431040942 /nfs/dbraw/zinc/04/09/42/431040942.db2.gz PKAGVUCMLCMEFK-HXUWFJFHSA-N 2 0 315.505 2.625 20 0 DFADRP CCC1(CC)CCC[N@H+](C[C@H](O)[C@@H]([NH3+])Cc2ccccc2)C1 ZINC000662309631 431042111 /nfs/dbraw/zinc/04/21/11/431042111.db2.gz MWPBGMOJGQOSCE-ROUUACIJSA-N 2 0 304.478 2.820 20 0 DFADRP C[C@@H]1CCC[N@@H+](CC(=O)N[C@@H]2CCC[C@@H](C)[C@@H]2C)[C@@H]1CCC[NH3+] ZINC000662313705 431043142 /nfs/dbraw/zinc/04/31/42/431043142.db2.gz XLRGHKPQPWXCKV-UYTYNIKBSA-N 2 0 323.525 2.767 20 0 DFADRP c1ccc(O[C@@H]2CC[N@@H+](Cc3cccc4c3CC[NH2+]C4)C2)cc1 ZINC000662317183 431043261 /nfs/dbraw/zinc/04/32/61/431043261.db2.gz NJKNIHSRGDNWEJ-LJQANCHMSA-N 2 0 308.425 2.986 20 0 DFADRP CC1CCC(NC(=O)C[N@@H+]2CCC[C@@H](C)[C@H]2CCC[NH3+])CC1 ZINC000662313481 431043997 /nfs/dbraw/zinc/04/39/97/431043997.db2.gz RNCZMLDYAOQAQW-MNAZLIDISA-N 2 0 309.498 2.521 20 0 DFADRP C[C@@H]1CCC[N@H+](Cc2nnc(C3CC3)n2C2CC2)[C@@H]1CCC[NH3+] ZINC000662317854 431044022 /nfs/dbraw/zinc/04/40/22/431044022.db2.gz UANBEAWFKPFEQI-CZUORRHYSA-N 2 0 317.481 2.830 20 0 DFADRP C[C@@H]1CCC[N@H+](Cc2nc3ccccc3n2C)[C@@H]1CCC[NH3+] ZINC000662316719 431044263 /nfs/dbraw/zinc/04/42/63/431044263.db2.gz MKOAYAFZPOJBIM-GDBMZVCRSA-N 2 0 300.450 2.913 20 0 DFADRP CC[N@H+](CCOc1ccccc1OC)CCC1CC[NH2+]CC1 ZINC000662324394 431047323 /nfs/dbraw/zinc/04/73/23/431047323.db2.gz WZJLUXNQQZUNFS-UHFFFAOYSA-N 2 0 306.450 2.786 20 0 DFADRP CC[N@H+](CCOCC[NH3+])[C@H](C)Cc1ccc(C(F)(F)F)cc1 ZINC000662318839 431047856 /nfs/dbraw/zinc/04/78/56/431047856.db2.gz HNDSEVRIJOEXCC-CYBMUJFWSA-N 2 0 318.383 2.934 20 0 DFADRP CC[NH+](CC)Cc1ccc(C(=O)NCC2([NH3+])CCCCCC2)o1 ZINC000649269498 431050103 /nfs/dbraw/zinc/05/01/03/431050103.db2.gz LHGCQMIIMJPBGG-UHFFFAOYSA-N 2 0 321.465 2.903 20 0 DFADRP CC[C@H]([NH2+]C)C(=O)NC[C@@H](c1cccs1)[NH+]1CCC(C)CC1 ZINC000662346805 431054687 /nfs/dbraw/zinc/05/46/87/431054687.db2.gz VALPOSPBEKMJLC-GJZGRUSLSA-N 2 0 323.506 2.635 20 0 DFADRP CC[NH+](CC)CCOc1ccc(NC(=O)CCC(C)(C)[NH3+])cc1 ZINC000649285019 431057660 /nfs/dbraw/zinc/05/76/60/431057660.db2.gz UOCGAKWMWBJZHX-UHFFFAOYSA-N 2 0 321.465 2.863 20 0 DFADRP [NH3+]C[C@@H]1CCC[C@H]1C(=O)Nc1cccc(C[NH+]2CCCCC2)c1 ZINC000649295492 431059356 /nfs/dbraw/zinc/05/93/56/431059356.db2.gz OSHXDWIMYAJAKI-FUHWJXTLSA-N 2 0 315.461 2.986 20 0 DFADRP O=C(Nc1ccc(C[NH+]2CCCC2)cc1)[C@@H]1C[C@]12CCC[NH2+]C2 ZINC000655610337 431061701 /nfs/dbraw/zinc/06/17/01/431061701.db2.gz OBLPUPOVBVLBKV-HKUYNNGSSA-N 2 0 313.445 2.611 20 0 DFADRP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)[C@H]2CCCCC[NH2+]2)C1 ZINC000649310914 431062122 /nfs/dbraw/zinc/06/21/22/431062122.db2.gz NLDJHAYSCSGLLV-FGTMMUONSA-N 2 0 321.509 2.632 20 0 DFADRP CC[C@H]([NH2+]C)C(=O)NCc1ccccc1C[N@@H+]1CCC[C@H](C)C1 ZINC000662388550 431068804 /nfs/dbraw/zinc/06/88/04/431068804.db2.gz OHTPHZVUMXQGDM-YJBOKZPZSA-N 2 0 317.477 2.533 20 0 DFADRP CC[NH+](CC)Cc1cccc(NC(=O)[C@@H]2C[C@]23CCC[NH2+]C3)c1 ZINC000655444644 431012385 /nfs/dbraw/zinc/01/23/85/431012385.db2.gz LTSVFRKICXAZMC-HKUYNNGSSA-N 2 0 315.461 2.857 20 0 DFADRP OC[C@H](CCF)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H]2CCC[C@H]21 ZINC000652300576 431014414 /nfs/dbraw/zinc/01/44/14/431014414.db2.gz HBIJYNNXSVQCBM-OKYOBFRVSA-N 2 0 320.452 2.740 20 0 DFADRP Clc1ccc([C@H]2CCC[N@@H+]2C[C@@H]2CCC3(C[NH2+]C3)O2)cc1 ZINC000662251139 431015683 /nfs/dbraw/zinc/01/56/83/431015683.db2.gz ZVFMXXXNLQINFA-JKSUJKDBSA-N 2 0 306.837 2.998 20 0 DFADRP O=C(C[C@@H]1[NH2+]Cc2ccccc21)Nc1cccc2c1CC[NH2+]C2 ZINC000659297027 431015658 /nfs/dbraw/zinc/01/56/58/431015658.db2.gz RKCQRSUXXODNRK-SFHVURJKSA-N 2 0 307.397 2.505 20 0 DFADRP Fc1ccccc1C1CC[NH+](C[C@@H]2CCC3(C[NH2+]C3)O2)CC1 ZINC000662254894 431016576 /nfs/dbraw/zinc/01/65/76/431016576.db2.gz MMLVKUWHJNDXFY-HNNXBMFYSA-N 2 0 304.409 2.526 20 0 DFADRP Clc1ccc(C[N@H+](C[C@@H]2CCC3(C[NH2+]C3)O2)C2CC2)cc1 ZINC000662250280 431016927 /nfs/dbraw/zinc/01/69/27/431016927.db2.gz DAZHTVIBLHNIIK-INIZCTEOSA-N 2 0 306.837 2.825 20 0 DFADRP C[C@@H]1C[C@@H](c2ccccc2F)[N@H+](C[C@@H]2CCC3(C[NH2+]C3)O2)C1 ZINC000662253979 431017177 /nfs/dbraw/zinc/01/71/77/431017177.db2.gz CTZCVLQARFBKDA-KEYYUXOJSA-N 2 0 304.409 2.730 20 0 DFADRP C[C@H]1[NH2+]CC[C@H]1C(=O)Nc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000645502404 431018235 /nfs/dbraw/zinc/01/82/35/431018235.db2.gz GCDVSIIDBOQSNV-IIDMSEBBSA-N 2 0 315.461 2.855 20 0 DFADRP Clc1ccc([C@@H]2CC[N@H+](C[C@@H]3CCC4(C[NH2+]C4)O3)C2)cc1 ZINC000662256613 431019090 /nfs/dbraw/zinc/01/90/90/431019090.db2.gz WZPWUSSWDHGGOR-ZBFHGGJFSA-N 2 0 306.837 2.650 20 0 DFADRP C[C@H]([NH3+])c1ccc(C(=O)N2CCC([C@@H]3CCC[NH2+]C3)CC2)cc1 ZINC000662588156 431124441 /nfs/dbraw/zinc/12/44/41/431124441.db2.gz RBMUTDNSWHAKGI-KBXCAEBGSA-N 2 0 315.461 2.558 20 0 DFADRP C[C@H]1CCC[C@](CNC(=O)c2cccc3c2C[NH2+]C3)([NH+](C)C)C1 ZINC000662400760 431070657 /nfs/dbraw/zinc/07/06/57/431070657.db2.gz FLRABBJVOTUSPB-LIRRHRJNSA-N 2 0 315.461 2.530 20 0 DFADRP C[N@H+](CCN1CC[NH+](CC2=CCCC2)CC1)Cc1ccccc1 ZINC000645801276 431077361 /nfs/dbraw/zinc/07/73/61/431077361.db2.gz RZJSZKPNQSPETO-UHFFFAOYSA-N 2 0 313.489 2.846 20 0 DFADRP CCC[NH+](CCC)CCCNC(=O)C[C@H]1[NH2+]Cc2ccccc21 ZINC000662442947 431081018 /nfs/dbraw/zinc/08/10/18/431081018.db2.gz WLKFQCSYQAFRAT-GOSISDBHSA-N 2 0 317.477 2.849 20 0 DFADRP [NH3+][C@@H]1CCCCCC[C@H]1C(=O)N1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000662589391 431125450 /nfs/dbraw/zinc/12/54/50/431125450.db2.gz YSHAGQWCIRUQHX-KZNAEPCWSA-N 2 0 321.509 2.522 20 0 DFADRP Cc1cc2c(c(C)c1)[C@H]([NH2+]CCCC[NH+]1CCOCC1)CC2 ZINC000655691657 431084968 /nfs/dbraw/zinc/08/49/68/431084968.db2.gz DOLBHOYQVPGLHL-GOSISDBHSA-N 2 0 302.462 2.993 20 0 DFADRP CCCNC(=O)CCC[NH+]1CCC(C[NH+]2CCCCCC2)CC1 ZINC000662451121 431085474 /nfs/dbraw/zinc/08/54/74/431085474.db2.gz KCAFDCIQDCXKRN-UHFFFAOYSA-N 2 0 323.525 2.881 20 0 DFADRP CN(Cc1ccccc1)[C@H]1CC[N@H+](CC[C@@H]2CCC[NH2+]C2)C1 ZINC000649413969 431095633 /nfs/dbraw/zinc/09/56/33/431095633.db2.gz ZVJGCIAQIKQHAT-HKUYNNGSSA-N 2 0 301.478 2.582 20 0 DFADRP Cn1c2ccccc2nc1CC[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000649415220 431095993 /nfs/dbraw/zinc/09/59/93/431095993.db2.gz QCMPHBPFYKBXOR-CVEARBPZSA-N 2 0 312.461 2.580 20 0 DFADRP Cc1cccc2nc(C[N@@H+]3CCC[C@@H]([C@H]4CCC[NH2+]C4)C3)cn21 ZINC000649418045 431096334 /nfs/dbraw/zinc/09/63/34/431096334.db2.gz XOULZRHSYLVDMQ-DLBZAZTESA-N 2 0 312.461 2.854 20 0 DFADRP CC(C)C[C@H](C[NH3+])CC(=O)NC1CC[NH+](C2CCCC2)CC1 ZINC000662491556 431097017 /nfs/dbraw/zinc/09/70/17/431097017.db2.gz USKGGFJMOSWAAX-HNNXBMFYSA-N 2 0 309.498 2.521 20 0 DFADRP CC[NH2+]Cc1cccc(NC(=O)NCCC[N@H+](C)CC(C)C)c1 ZINC000652610609 431099593 /nfs/dbraw/zinc/09/95/93/431099593.db2.gz FJDAWPIARSEFBB-UHFFFAOYSA-N 2 0 320.481 2.896 20 0 DFADRP C[C@@H]1CC[C@H]([NH2+]C2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)CS1 ZINC000655733169 431105290 /nfs/dbraw/zinc/10/52/90/431105290.db2.gz JUBXUPWGKXYJQK-XLNGHYISSA-N 2 0 312.523 2.628 20 0 DFADRP CC[N@H+](C)C[C@@H]1CCN(C(=O)[C@@H]2CCCC[NH+]2C2CCCC2)C1 ZINC000373013150 279035418 /nfs/dbraw/zinc/03/54/18/279035418.db2.gz HQSVBMCDQKYUMT-WMZOPIPTSA-N 2 0 321.509 2.584 20 0 DFADRP C[C@@H]1C[C@@H](C)C[NH+](CCN2CCC(C[NH+]3CCCC3)CC2)C1 ZINC000659843372 431137099 /nfs/dbraw/zinc/13/70/99/431137099.db2.gz SJNBFAJKHBLPBB-QZTJIDSGSA-N 2 0 307.526 2.772 20 0 DFADRP C[C@H]([NH2+]CC[C@@H]1CCC[N@H+](C)C1)c1ccc2[nH]c(=O)oc2c1 ZINC000666172106 431135780 /nfs/dbraw/zinc/13/57/80/431135780.db2.gz ANYCFRLNYLOVBI-STQMWFEESA-N 2 0 303.406 2.916 20 0 DFADRP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@H]1CC(C)(C)c2ccccc21 ZINC000177968622 279312923 /nfs/dbraw/zinc/31/29/23/279312923.db2.gz XEBQUDOJQBCZQZ-QAPCUYQASA-N 2 0 301.478 2.635 20 0 DFADRP C[C@H](C[NH2+][C@H]1CCc2cc(Cl)ccc21)CN1CC[NH+](C)CC1 ZINC000121039695 279354127 /nfs/dbraw/zinc/35/41/27/279354127.db2.gz YZBIMMAPBXYQTL-KDOFPFPSSA-N 2 0 321.896 2.800 20 0 DFADRP CC[NH+]1CCN([C@@H]2CC[N@@H+]([C@H](C)c3ccc(F)cc3)C2)CC1 ZINC000245951702 279369073 /nfs/dbraw/zinc/36/90/73/279369073.db2.gz ZBWFAKHPTVXPRM-CRAIPNDOSA-N 2 0 305.441 2.599 20 0 DFADRP C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)[C@@H](C)[C@@H]([NH3+])c1ccccc1 ZINC000662693688 431165310 /nfs/dbraw/zinc/16/53/10/431165310.db2.gz LJFKOMIRLJXRNA-XYJFISCASA-N 2 0 317.477 2.559 20 0 DFADRP CCC[N@@H+]1CC[C@H](NC(=O)CC[C@H]([NH3+])CC2CCCCC2)C1 ZINC000662704285 431167379 /nfs/dbraw/zinc/16/73/79/431167379.db2.gz YHGYSKCIJPHBBF-IRXDYDNUSA-N 2 0 309.498 2.665 20 0 DFADRP CC(C)[NH2+]CCC(=O)NC[C@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000646071463 431170347 /nfs/dbraw/zinc/17/03/47/431170347.db2.gz NWRIEGGBHWNMQJ-RHSMWYFYSA-N 2 0 323.506 2.635 20 0 DFADRP COc1cccc(C[NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)c1OC(C)C ZINC000655826466 431171441 /nfs/dbraw/zinc/17/14/41/431171441.db2.gz WSQJRQAVTLLHMW-FZNQNYSPSA-N 2 0 306.450 2.912 20 0 DFADRP COc1cc(C[NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)cc(Cl)c1OC ZINC000655825574 431172035 /nfs/dbraw/zinc/17/20/35/431172035.db2.gz HZZINGHBNYIDNE-BJHJDKERSA-N 2 0 312.841 2.787 20 0 DFADRP CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)C2([NH2+]C3CC3)CCC2)C1 ZINC000662729039 431175041 /nfs/dbraw/zinc/17/50/41/431175041.db2.gz GAXWALAFINKMPP-HNNXBMFYSA-N 2 0 321.509 2.678 20 0 DFADRP C[C@@H](O)C[N@H+](C)C1CC[NH+](CC[C@@H]2CCc3ccccc32)CC1 ZINC000659897594 431175161 /nfs/dbraw/zinc/17/51/61/431175161.db2.gz YKXPRKYJYZCOOI-AEFFLSMTSA-N 2 0 316.489 2.884 20 0 DFADRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H](C)Cc2ccccn2)[C@H](C)C1 ZINC000655836208 431176227 /nfs/dbraw/zinc/17/62/27/431176227.db2.gz FXCQXLABKXCEGH-AOIWGVFYSA-N 2 0 319.493 2.739 20 0 DFADRP CCN(C[C@@H]1CCC[N@@H+]1C)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000649585841 431177162 /nfs/dbraw/zinc/17/71/62/431177162.db2.gz HZZKWCXXCAMTQQ-RBUKOAKNSA-N 2 0 301.478 2.677 20 0 DFADRP CCC(CC)(CNC(=O)[C@H]1C[C@H]([NH3+])C1)[NH2+][C@@H](C)c1ccccc1 ZINC000662730512 431177627 /nfs/dbraw/zinc/17/76/27/431177627.db2.gz HOJNXLABIPUIHZ-XIRDDKMYSA-N 2 0 317.477 2.750 20 0 DFADRP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+][C@H](C)Cc1ccccn1 ZINC000655844721 431182276 /nfs/dbraw/zinc/18/22/76/431182276.db2.gz VUIWLVYFTBVSFU-CQSZACIVSA-N 2 0 307.401 2.692 20 0 DFADRP Cc1ccc(C[NH+]2CC[C@@H](C[N@@H+](C)C[C@H](O)C(C)C)C2)s1 ZINC000649603424 431190347 /nfs/dbraw/zinc/19/03/47/431190347.db2.gz MALNQVFUCZEVBT-RDJZCZTQSA-N 2 0 310.507 2.827 20 0 DFADRP CC1(C)CC[NH2+][C@H]1C(=O)Nc1cccc(CC[NH+]2CCCC2)c1 ZINC000662790595 431195147 /nfs/dbraw/zinc/19/51/47/431195147.db2.gz CREOUHARHAWOBF-KRWDZBQOSA-N 2 0 315.461 2.652 20 0 DFADRP CC(C)C[C@H](C[NH3+])CC(=O)N(CC(C)C)C1CC[NH+](C)CC1 ZINC000662788646 431195694 /nfs/dbraw/zinc/19/56/94/431195694.db2.gz QAIOFOPRJKFEHQ-INIZCTEOSA-N 2 0 311.514 2.576 20 0 DFADRP C[C@H]1CC[N@H+](Cc2ccccc2)CCN1C[C@@H]1CCC[NH+]1C ZINC000649547679 431152456 /nfs/dbraw/zinc/15/24/56/431152456.db2.gz ZOVBPKSONBAINS-HKUYNNGSSA-N 2 0 301.478 2.677 20 0 DFADRP C[C@@H](CC(=O)Nc1cccc(Cl)c1)[NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000655806874 431155974 /nfs/dbraw/zinc/15/59/74/431155974.db2.gz CQEYQEMKHGXXRO-HEHGZKQESA-N 2 0 323.868 2.987 20 0 DFADRP C[C@@H]1C[C@H]([NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)CCN1Cc1ccccc1 ZINC000655806704 431156104 /nfs/dbraw/zinc/15/61/04/431156104.db2.gz ZPUNRVBIVRZPCK-AFYVEPGGSA-N 2 0 315.505 2.969 20 0 DFADRP COc1cccc(C[C@@H]([NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)C2CC2)c1 ZINC000655805803 431156339 /nfs/dbraw/zinc/15/63/39/431156339.db2.gz SFYYMCFBLMMGGC-HHXXYDBFSA-N 2 0 302.462 2.946 20 0 DFADRP COCCOc1ccc([C@H](C)[NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)cc1 ZINC000655805650 431156663 /nfs/dbraw/zinc/15/66/63/431156663.db2.gz JSJSQXYAXFMIQY-YQQAZPJKSA-N 2 0 306.450 2.703 20 0 DFADRP [NH3+][C@@H](CC(=O)N[C@@H]1CC[N@@H+](C2CCCCC2)C1)c1ccccc1 ZINC000662668545 431157160 /nfs/dbraw/zinc/15/71/60/431157160.db2.gz OOPFMQILKYVBRF-AEFFLSMTSA-N 2 0 315.461 2.600 20 0 DFADRP C[C@@H](CCc1n[nH]c2ccccc21)[NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000655805356 431158145 /nfs/dbraw/zinc/15/81/45/431158145.db2.gz MNUKEAUCLBUZGD-SOUVJXGZSA-N 2 0 300.450 2.814 20 0 DFADRP COc1ccc(C[C@H](C)[NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)cc1OC ZINC000655806213 431158377 /nfs/dbraw/zinc/15/83/77/431158377.db2.gz RMLZOELPTIOCRA-CWRNSKLLSA-N 2 0 306.450 2.565 20 0 DFADRP C[C@H]1CCCC[N@@H+]1Cc1ccc(NC(=O)[C@H]2C[C@H]([NH3+])C2)cc1 ZINC000662676631 431158494 /nfs/dbraw/zinc/15/84/94/431158494.db2.gz ZTIFVFGGLVTENQ-BPUTZDHNSA-N 2 0 301.434 2.737 20 0 DFADRP CC[NH+](CC)[C@@H](CNC(=O)C1([NH3+])CC2(CCC2)C1)CC(C)C ZINC000662673596 431159297 /nfs/dbraw/zinc/15/92/97/431159297.db2.gz OFVMFYFFLDNPQW-OAHLLOKOSA-N 2 0 309.498 2.521 20 0 DFADRP C[N@H+](C[C@H]1CCCN(C(=O)C(C)(C)C)C1)C[C@H]1CCC[NH+](C)C1 ZINC000659947259 431204291 /nfs/dbraw/zinc/20/42/91/431204291.db2.gz NHGMXLOWPNGXHS-DLBZAZTESA-N 2 0 323.525 2.545 20 0 DFADRP CC(C)[NH+]1CCC(NC(=O)C[N@@H+]2CCCC[C@H]2C2CCC2)CC1 ZINC000646138797 431204915 /nfs/dbraw/zinc/20/49/15/431204915.db2.gz WHOSZSKPFLFACT-SFHVURJKSA-N 2 0 321.509 2.630 20 0 DFADRP Cc1ccnc(NC[C@H]2CC[N@H+](CCc3cncs3)C2)c1 ZINC000662828406 431208895 /nfs/dbraw/zinc/20/88/95/431208895.db2.gz RYUUQRYCXUKLNM-CQSZACIVSA-N 2 0 302.447 2.823 20 0 DFADRP Cc1cc(C[NH3+])cc(NC(=O)N[C@H]2CCC[N@@H+]3CCCC[C@@H]23)c1 ZINC000655910574 431212468 /nfs/dbraw/zinc/21/24/68/431212468.db2.gz YQRHNRKBJCATPR-IRXDYDNUSA-N 2 0 316.449 2.592 20 0 DFADRP CC(C)[N@H+](C)C[C@H](O)C[NH+]1CC[C@@H](Cc2ccccc2)[C@H]1C ZINC000659980827 431218865 /nfs/dbraw/zinc/21/88/65/431218865.db2.gz ZQYAZEDRTCLRCY-NEWSRXKRSA-N 2 0 304.478 2.641 20 0 DFADRP COc1ccc([C@@H](C[NH3+])C[N@@H+]2CCC[C@@H](OC3CCC3)C2)cc1 ZINC000655948033 431225596 /nfs/dbraw/zinc/22/55/96/431225596.db2.gz WHTFFUMQAMQNLL-QFBILLFUSA-N 2 0 318.461 2.771 20 0 DFADRP [NH3+]CCOCC[NH+]1CCC(CCc2ccc(F)cc2F)CC1 ZINC000655947400 431226320 /nfs/dbraw/zinc/22/63/20/431226320.db2.gz SHSQHBQUPDQNRK-UHFFFAOYSA-N 2 0 312.404 2.585 20 0 DFADRP CC[C@H]([NH2+]Cc1ccc(OCC[NH+](C)C)cc1)[C@H](O)C(C)C ZINC000666446720 431234112 /nfs/dbraw/zinc/23/41/12/431234112.db2.gz JNKLACXSVUVFRR-ZWKOTPCHSA-N 2 0 308.466 2.512 20 0 DFADRP CC(C)OCC(C)(C)[NH2+]Cc1ccc(OCC[NH+](C)C)cc1 ZINC000666463250 431241244 /nfs/dbraw/zinc/24/12/44/431241244.db2.gz SOHPVCGJDZHKLM-UHFFFAOYSA-N 2 0 308.466 2.920 20 0 DFADRP [NH3+][C@@H]1CCCCCC[C@@H]1C(=O)NC[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000663000763 431252599 /nfs/dbraw/zinc/25/25/99/431252599.db2.gz MFUNLKMWUIOKHT-OKZBNKHCSA-N 2 0 321.509 2.522 20 0 DFADRP C[C@@H]1C[C@H](C)C[N@@H+](CCN2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)C1 ZINC000660114702 431277268 /nfs/dbraw/zinc/27/72/68/431277268.db2.gz JURFNLGHVZQFOV-RMJJICAUSA-N 2 0 319.537 2.913 20 0 DFADRP CC[C@H](CC(F)F)C[N@@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000660152596 431295320 /nfs/dbraw/zinc/29/53/20/431295320.db2.gz AUCKSFQVSBQQIR-XHSDSOJGSA-N 2 0 317.468 2.626 20 0 DFADRP CC(C)[N@H+](C)C[C@H](O)CN1[C@H](C)Cc2cc(F)ccc2[C@H]1C ZINC000660165178 431297584 /nfs/dbraw/zinc/29/75/84/431297584.db2.gz UQYRHLSKWYQDTD-CPUCHLNUSA-N 2 0 308.441 2.834 20 0 DFADRP CC(C)[C@H]([NH3+])CC(=O)N[C@H](C[NH+]1CCCCC1)c1ccccc1 ZINC000646409856 431300433 /nfs/dbraw/zinc/30/04/33/431300433.db2.gz BIYDOPULDBPAQA-QZTJIDSGSA-N 2 0 317.477 2.703 20 0 DFADRP CC(C)[C@@H]([NH3+])CC(=O)Nc1ccc(CC[NH+]2CCCC2)cc1 ZINC000646427136 431305616 /nfs/dbraw/zinc/30/56/16/431305616.db2.gz NXHHJTMDIYVRKY-KRWDZBQOSA-N 2 0 303.450 2.637 20 0 DFADRP CC[N@H+](CCCNC(=O)[C@H]1CCC[NH2+][C@@H]1C)C1CCCCC1 ZINC000653200763 431306162 /nfs/dbraw/zinc/30/61/62/431306162.db2.gz PBJUMCMHBWQJLH-WBVHZDCISA-N 2 0 309.498 2.535 20 0 DFADRP CC[N@H+](CCCNC(=O)[C@H]1CC[NH2+][C@@H]1C(C)C)C1CCCCC1 ZINC000653200519 431306418 /nfs/dbraw/zinc/30/64/18/431306418.db2.gz HAKFIMLOIHJTDC-ZWKOTPCHSA-N 2 0 323.525 2.781 20 0 DFADRP C[C@@H]1CN(C[C@@H](O)C[N@H+](C)C2CC2)CCc2ccc(Cl)cc21 ZINC000649746570 431271136 /nfs/dbraw/zinc/27/11/36/431271136.db2.gz CKNOHMRPTLGDCC-DYVFJYSZSA-N 2 0 322.880 2.757 20 0 DFADRP Cc1ccc(C[NH+](C)C)cc1NC(=O)[C@@H]1CC[C@H](C2CC2)[NH2+]1 ZINC000653122330 431273736 /nfs/dbraw/zinc/27/37/36/431273736.db2.gz UBLCEARUGSWKKW-CVEARBPZSA-N 2 0 301.434 2.526 20 0 DFADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]C[C@@H](OC)C2CCC2)[C@@H](C)C1 ZINC000660307294 431371490 /nfs/dbraw/zinc/37/14/90/431371490.db2.gz WASRMCIIHJCQDQ-RYQLBKOJSA-N 2 0 312.498 2.528 20 0 DFADRP CC(C)[C@@H](Cc1ccc(F)cc1)[NH2+]C[C@@H](O)C[N@H+](C)C(C)C ZINC000660213578 431322580 /nfs/dbraw/zinc/32/25/80/431322580.db2.gz SROZNCITDOVIDS-QZTJIDSGSA-N 2 0 310.457 2.684 20 0 DFADRP CC[NH+](CC)[C@H](C(=O)N1CC[C@H]([NH+](C)C)[C@@H]1C)c1ccccc1 ZINC000646483414 431323136 /nfs/dbraw/zinc/32/31/36/431323136.db2.gz DBYRJRCUCITMOC-SZMVWBNQSA-N 2 0 317.477 2.621 20 0 DFADRP CCC[NH+](CCC)CCCC(=O)N1CCC[C@H](C)[C@@H]1CC[NH3+] ZINC000653240984 431330422 /nfs/dbraw/zinc/33/04/22/431330422.db2.gz WFKAMUZYLHQFMX-IRXDYDNUSA-N 2 0 311.514 2.865 20 0 DFADRP C[C@@H]([NH3+])CCC(=O)Nc1ccc(SCC[NH+]2CCCC2)cc1 ZINC000653253175 431337753 /nfs/dbraw/zinc/33/77/53/431337753.db2.gz JTNVGVURRWRRTN-CQSZACIVSA-N 2 0 321.490 2.940 20 0 DFADRP CN(C(=O)CC[NH2+]C1CC(C)(C)[NH2+]C(C)(C)C1)c1ccccc1 ZINC000663279137 431351049 /nfs/dbraw/zinc/35/10/49/431351049.db2.gz FUQVFSJHMXJTJZ-UHFFFAOYSA-N 2 0 317.477 2.938 20 0 DFADRP CC[C@@H]([NH2+]C1CCN(c2cc[nH+]cc2)CC1)[C@@H]1CCCCO1 ZINC000656276682 431352249 /nfs/dbraw/zinc/35/22/49/431352249.db2.gz IBRSQCAUQVMWDX-MSOLQXFVSA-N 2 0 303.450 2.988 20 0 DFADRP c1cc(N2CCC([NH2+][C@H]3CCCN4CCCC[C@@H]34)CC2)cc[nH+]1 ZINC000656278446 431352693 /nfs/dbraw/zinc/35/26/93/431352693.db2.gz REKGKERIFOQDIT-OALUTQOASA-N 2 0 314.477 2.657 20 0 DFADRP CCCOc1cc(C[NH2+][C@@H]2CC23CC[NH2+]CC3)ccc1OC ZINC000666950927 431420421 /nfs/dbraw/zinc/42/04/21/431420421.db2.gz QVLMZYUEHNRAAH-QGZVFWFLSA-N 2 0 304.434 2.716 20 0 DFADRP COc1cccc(C[NH2+][C@H]2CC23CC[NH2+]CC3)c1OC(C)C ZINC000666950789 431420896 /nfs/dbraw/zinc/42/08/96/431420896.db2.gz HZPUBHQYOGKNAG-INIZCTEOSA-N 2 0 304.434 2.714 20 0 DFADRP C[C@@H]1CCC[C@@H]([NH+]2CCC([NH2+][C@H]3CC34CC[NH2+]CC4)CC2)C1 ZINC000666954181 431422654 /nfs/dbraw/zinc/42/26/54/431422654.db2.gz RFZHKUOPYBUCSD-NXHRZFHOSA-N 2 0 305.510 2.761 20 0 DFADRP Cc1cc(C[NH2+][C@@H]2CC23CC[NH2+]CC3)ccc1Br ZINC000666952225 431423373 /nfs/dbraw/zinc/42/33/73/431423373.db2.gz LFCXCRMOJXHRSS-CQSZACIVSA-N 2 0 309.251 2.989 20 0 DFADRP [NH3+]C[C@H]1CC[C@H](C[NH2+]Cc2ncccc2C(F)(F)F)CC1 ZINC000666956308 431423976 /nfs/dbraw/zinc/42/39/76/431423976.db2.gz PRKYGINYWMYBKW-HAQNSBGRSA-N 2 0 301.356 2.955 20 0 DFADRP Fc1ccc(C[NH2+][C@@H]2CCC[NH2+]CC2)cc1Br ZINC000666855516 431387085 /nfs/dbraw/zinc/38/70/85/431387085.db2.gz XFJYJLLQTOECHQ-LLVKDONJSA-N 2 0 301.203 2.820 20 0 DFADRP CC[C@@H](O)C[NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CC12CCC2 ZINC000663369228 431389982 /nfs/dbraw/zinc/38/99/82/431389982.db2.gz ZESZMGJRWMQRDA-ZWKOTPCHSA-N 2 0 302.462 2.649 20 0 DFADRP C[NH+](C)Cc1ccc(C(=O)NCC[NH2+]C2CCCCCC2)cc1 ZINC000646784945 431394278 /nfs/dbraw/zinc/39/42/78/431394278.db2.gz WPXHHYXBZGZZMP-UHFFFAOYSA-N 2 0 317.477 2.790 20 0 DFADRP C[NH+](C)Cc1ccc(-c2noc([C@H]3C[C@@]34CCC[NH2+]C4)n2)cc1 ZINC000653490543 431400516 /nfs/dbraw/zinc/40/05/16/431400516.db2.gz MUOVMTUQCHHFMZ-CRAIPNDOSA-N 2 0 312.417 2.655 20 0 DFADRP Cc1nn2c(C[NH2+]C[C@H]3CCC[C@H]([NH3+])C3)c(C(C)C)nc2s1 ZINC000666921131 431405597 /nfs/dbraw/zinc/40/55/97/431405597.db2.gz YQBRGCQFLNGMCK-STQMWFEESA-N 2 0 321.494 2.830 20 0 DFADRP CC(C)[C@@H](C(=O)N[C@H](C[NH3+])c1ccc2ccccc2c1)[NH+](C)C ZINC000278281350 279797358 /nfs/dbraw/zinc/79/73/58/279797358.db2.gz PXVVBLHYJZOUTO-MSOLQXFVSA-N 2 0 313.445 2.542 20 0 DFADRP Cn1cc(C[NH2+][C@@H]2CC[NH2+]C3(CCC3)C2)c(-c2ccccc2)n1 ZINC000666996989 431438727 /nfs/dbraw/zinc/43/87/27/431438727.db2.gz QBDGLONSKNQUQZ-QGZVFWFLSA-N 2 0 310.445 2.851 20 0 DFADRP C[C@H](CC(=O)Nc1cccc(F)c1)[NH2+][C@H]1CC[NH2+]C2(CCC2)C1 ZINC000666995340 431438928 /nfs/dbraw/zinc/43/89/28/431438928.db2.gz KJQQWQYSQHMKQZ-CJNGLKHVSA-N 2 0 319.424 2.807 20 0 DFADRP COCCCOc1cccc(C[NH2+][C@H]2CC[NH2+]C3(CCC3)C2)c1 ZINC000666998118 431441359 /nfs/dbraw/zinc/44/13/59/431441359.db2.gz CEYIFBDELISQNA-KRWDZBQOSA-N 2 0 318.461 2.866 20 0 DFADRP C[C@@H]1C[NH2+]CC[C@@H]1C[NH2+][C@H]1CC(C)(C)Oc2ccc(N)cc21 ZINC000663499401 431444910 /nfs/dbraw/zinc/44/49/10/431444910.db2.gz VVMMROPVZBPMNU-IOASZLSFSA-N 2 0 303.450 2.706 20 0 DFADRP CCC1(C)CCC([NH2+]C2CCN(C(=O)CCC[NH2+]C)CC2)CC1 ZINC000663505153 431448487 /nfs/dbraw/zinc/44/84/87/431448487.db2.gz FWSHJRPKKBHOSS-UHFFFAOYSA-N 2 0 323.525 2.926 20 0 DFADRP C[NH2+]CCCC(=O)N1CCC([NH2+]CC2CCCCCC2)CC1 ZINC000663504369 431448495 /nfs/dbraw/zinc/44/84/95/431448495.db2.gz UPLFUUCTFIGFGK-UHFFFAOYSA-N 2 0 309.498 2.537 20 0 DFADRP CC[N@H+](CCOc1ccccc1OC)C[C@H]1CC[NH2+][C@H](C)C1 ZINC000663503005 431449669 /nfs/dbraw/zinc/44/96/69/431449669.db2.gz LIFGQAZLTMGEEU-CVEARBPZSA-N 2 0 306.450 2.784 20 0 DFADRP CC[NH+](CC)Cc1ccc(C(=O)Nc2ccc3c(c2)C[NH2+]C3)o1 ZINC000647076395 431456312 /nfs/dbraw/zinc/45/63/12/431456312.db2.gz GRKGZAQPLQFGFJ-UHFFFAOYSA-N 2 0 313.401 2.977 20 0 DFADRP CC[N@H+](C)C[C@@H](O)CN1CCc2ccc(C(C)(C)C)cc2C1 ZINC000653611029 431459077 /nfs/dbraw/zinc/45/90/77/431459077.db2.gz FEQWSVKLVHTORD-GOSISDBHSA-N 2 0 304.478 2.655 20 0 DFADRP COc1cccc(C[NH+]2CCC([C@@H]3C[C@@H]([NH3+])CCO3)CC2)c1F ZINC000667054052 431460707 /nfs/dbraw/zinc/46/07/07/431460707.db2.gz BSOIZRQMGUWVIL-RDJZCZTQSA-N 2 0 322.424 2.553 20 0 DFADRP COc1cccc(C[NH+]2CCC([C@@H]3C[C@H]([NH3+])CCO3)CC2)c1F ZINC000667054053 431462396 /nfs/dbraw/zinc/46/23/96/431462396.db2.gz BSOIZRQMGUWVIL-WBVHZDCISA-N 2 0 322.424 2.553 20 0 DFADRP CCO[C@@H]1C[C@H]([NH2+]CC2(SC)CC[NH+](C)CC2)C12CCC2 ZINC000353626021 279866969 /nfs/dbraw/zinc/86/69/69/279866969.db2.gz SWSIOWMOCQKEBA-LSDHHAIUSA-N 2 0 312.523 2.751 20 0 DFADRP COc1ccc(C[C@H](C)[NH2+]C[C@H]2CCC[N@H+](CC3CC3)C2)cn1 ZINC000663465977 431431380 /nfs/dbraw/zinc/43/13/80/431431380.db2.gz MMKMZCRNDAQIEQ-MAUKXSAKSA-N 2 0 317.477 2.733 20 0 DFADRP CO[C@@H]1[C@H](C)[C@H]([NH2+]C[C@@H]2CCC[N@H+](CC3CC3)C2)C12CCC2 ZINC000663468553 431434006 /nfs/dbraw/zinc/43/40/06/431434006.db2.gz MBYYMOXIYHDUCV-LAVFITLUSA-N 2 0 306.494 2.902 20 0 DFADRP C[C@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](CCCc2cncn2C)C1 ZINC000653556729 431434186 /nfs/dbraw/zinc/43/41/86/431434186.db2.gz FVYUIDIYCPLMCO-ZWKOTPCHSA-N 2 0 318.509 2.939 20 0 DFADRP Oc1ccc2c(c1)CC[C@H]([NH2+]C1CCN(c3cc[nH+]cc3)CC1)C2 ZINC000656575234 431434592 /nfs/dbraw/zinc/43/45/92/431434592.db2.gz GCWFGVWKLKLRAU-SFHVURJKSA-N 2 0 323.440 2.903 20 0 DFADRP CC1(C)[C@H]([NH2+]C[C@@H]2CCC[N@H+](CC3CC3)C2)[C@@H]2CCCO[C@H]21 ZINC000663471824 431435486 /nfs/dbraw/zinc/43/54/86/431435486.db2.gz YNWYLAJMFXREBE-WNRNVDISSA-N 2 0 306.494 2.902 20 0 DFADRP Fc1ccccc1-c1n[nH]cc1C[NH2+][C@H]1CC[NH2+]C2(CCC2)C1 ZINC000666996707 431436821 /nfs/dbraw/zinc/43/68/21/431436821.db2.gz AXYPEAGKLWNMOU-AWEZNQCLSA-N 2 0 314.408 2.980 20 0 DFADRP FC(F)(F)CCN1CCC([NH2+][C@H]2CC[NH2+]C3(CCC3)C2)CC1 ZINC000666995202 431436979 /nfs/dbraw/zinc/43/69/79/431436979.db2.gz GFHDGBZEUZDXRS-AWEZNQCLSA-N 2 0 319.415 2.668 20 0 DFADRP CN(C)c1ncc(CNC2(c3ccccc3Cl)CC2)n1C ZINC000647224417 431516360 /nfs/dbraw/zinc/51/63/60/431516360.db2.gz GWUORVUWWTWCRQ-UHFFFAOYSA-N 2 0 304.825 2.918 20 0 DFADRP CC(C)(C)c1n[nH]cc1C[NH+]1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000656784016 431519054 /nfs/dbraw/zinc/51/90/54/431519054.db2.gz CEAKDBXWIFXYPA-HNNXBMFYSA-N 2 0 304.482 2.919 20 0 DFADRP Cn1cc(C[N@@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)c(C(C)(C)C)n1 ZINC000656784140 431519297 /nfs/dbraw/zinc/51/92/97/431519297.db2.gz YXMSLGZMVXSAJK-INIZCTEOSA-N 2 0 318.509 2.929 20 0 DFADRP c1cc2c(cc1C[NH+]1CCC([C@@H]3CCC[NH2+]C3)CC1)C[NH2+]CC2 ZINC000656786129 431521646 /nfs/dbraw/zinc/52/16/46/431521646.db2.gz LBIMTBVZZYONPS-LJQANCHMSA-N 3 0 313.489 2.544 20 0 DFADRP COc1ccc(C[N@@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)cc1OC ZINC000656785945 431522126 /nfs/dbraw/zinc/52/21/26/431522126.db2.gz NPTLXSOIMMLNBU-QGZVFWFLSA-N 2 0 318.461 2.915 20 0 DFADRP COc1ccc(OC)c(C[NH+]2CCC([C@@H]3CCC[NH2+]C3)CC2)c1 ZINC000656784741 431522149 /nfs/dbraw/zinc/52/21/49/431522149.db2.gz GTLCAWWMHALOIY-MRXNPFEDSA-N 2 0 318.461 2.915 20 0 DFADRP C[C@H]1CN(Cc2ccc3c(c2)C[NH2+]CC3)c2ccccc2C[NH2+]1 ZINC000656785336 431522530 /nfs/dbraw/zinc/52/25/30/431522530.db2.gz GTYUMNWXGZOECP-HNNXBMFYSA-N 2 0 307.441 2.831 20 0 DFADRP Clc1ccccc1N1CC[C@@H](C[NH2+]C[C@@H]2CCC[NH2+]C2)C1 ZINC000656787879 431523086 /nfs/dbraw/zinc/52/30/86/431523086.db2.gz YCMBFABKTCGLOG-CABCVRRESA-N 2 0 307.869 2.756 20 0 DFADRP CC[N@H+](C)C[C@@H](O)CN1CCCC[C@@H]1Cc1ccccc1F ZINC000653779279 431524097 /nfs/dbraw/zinc/52/40/97/431524097.db2.gz SKPSFGWMDAMHHS-IAGOWNOFSA-N 2 0 308.441 2.535 20 0 DFADRP CC[N@H+](C)C[C@H](O)CN(C)Cc1oc2c(cccc2C)c1C ZINC000653778853 431524502 /nfs/dbraw/zinc/52/45/02/431524502.db2.gz GVECEUVUYPKXGG-HNNXBMFYSA-N 2 0 304.434 2.794 20 0 DFADRP C[C@@H]1C[C@H](NCC2([NH3+])CCCC2)CC[N@@H+]1Cc1ccccc1 ZINC000656789094 431525733 /nfs/dbraw/zinc/52/57/33/431525733.db2.gz IVFLGRUFZBUFNN-SJLPKXTDSA-N 2 0 301.478 2.901 20 0 DFADRP CO[C@@H]1CCC[C@@H]([NH2+]C[C@@H]2C[N@H+](C)C[C@H]2c2ccccc2)C1 ZINC000647249407 431529386 /nfs/dbraw/zinc/52/93/86/431529386.db2.gz YETYQLJDSFKFRX-MKXGPGLRSA-N 2 0 302.462 2.879 20 0 DFADRP C[C@H](C(=O)N1[C@H](C)CCC[C@H]1C)N1CCC[C@]2(CC[N@H+](C)C2)C1 ZINC000660651494 431529980 /nfs/dbraw/zinc/52/99/80/431529980.db2.gz AMMNRYRRJTUBAA-YWTNHNAXSA-N 2 0 321.509 2.582 20 0 DFADRP Cc1cc(CN(C)CCC[N@H+](C)Cc2ccco2)nc(C)n1 ZINC000660548355 431483409 /nfs/dbraw/zinc/48/34/09/431483409.db2.gz LROQWVGIUNPESA-UHFFFAOYSA-N 2 0 302.422 2.640 20 0 DFADRP C[N@@H+]1CC[C@]2(C1)CCC[NH+](CCC(=O)Nc1ccccc1F)C2 ZINC000660655862 431531957 /nfs/dbraw/zinc/53/19/57/431531957.db2.gz QJYDEJFUFXMIRW-SFHVURJKSA-N 2 0 319.424 2.572 20 0 DFADRP CC[NH+](CC)CCOc1ccc(C[NH2+][C@@H]2CO[C@H](C)C2)cc1 ZINC000647171931 431492783 /nfs/dbraw/zinc/49/27/83/431492783.db2.gz AWDOPETXZNNTCC-WBVHZDCISA-N 2 0 306.450 2.674 20 0 DFADRP CC(C)[N@H+](C)C[C@@H](O)C[NH+](C)[C@H]1CC[C@@H](C(F)(F)F)CC1 ZINC000660562747 431494345 /nfs/dbraw/zinc/49/43/45/431494345.db2.gz NTPDVMAJKPNCFE-HZSPNIEDSA-N 2 0 310.404 2.740 20 0 DFADRP C[C@H](CN[C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1)[NH+](C)C ZINC000647179566 431495411 /nfs/dbraw/zinc/49/54/11/431495411.db2.gz DRUPVQYAXBTZEE-AEFFLSMTSA-N 2 0 301.478 2.723 20 0 DFADRP CC(C)Cn1nccc1C[NH2+]CCCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000647184927 431498857 /nfs/dbraw/zinc/49/88/57/431498857.db2.gz IILOHCKARFVUOC-IAGOWNOFSA-N 2 0 322.497 2.518 20 0 DFADRP CCO[C@H]1C[C@H]([NH2+]C2CC[NH+](C(C)(C)C)CC2)C12CCOCC2 ZINC000186394521 279932925 /nfs/dbraw/zinc/93/29/25/279932925.db2.gz NPAWIDIVCLXVRL-IRXDYDNUSA-N 2 0 324.509 2.813 20 0 DFADRP c1ncn2c1CN(Cc1cccc(C[NH+]3CCCCC3)c1)CC2 ZINC000660583922 431504898 /nfs/dbraw/zinc/50/48/98/431504898.db2.gz OLVFKBKIMNERPX-UHFFFAOYSA-N 2 0 310.445 2.885 20 0 DFADRP Cc1cc(CO)cc(N[C@@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)n1 ZINC000663711409 431508929 /nfs/dbraw/zinc/50/89/29/431508929.db2.gz KWWBFEOJXVGONW-MAUKXSAKSA-N 2 0 311.429 2.957 20 0 DFADRP CCN(CCC[N@@H+]1CCC[C@]2(CC[NH+](C)C2)C1)CC(F)(F)F ZINC000660661772 431534945 /nfs/dbraw/zinc/53/49/45/431534945.db2.gz GHJZZVGSPFLPHQ-OAHLLOKOSA-N 2 0 321.431 2.678 20 0 DFADRP COc1ccc([C@@H](CC(C)C)[NH2+]CC2(O)CC[NH+](C)CC2)cc1 ZINC000647289636 431538405 /nfs/dbraw/zinc/53/84/05/431538405.db2.gz AONUBCCUWIIWPB-GOSISDBHSA-N 2 0 320.477 2.829 20 0 DFADRP COc1ccc([C@H](CC(C)C)[NH2+]CC2(O)CC[NH+](C)CC2)cc1 ZINC000647289637 431538558 /nfs/dbraw/zinc/53/85/58/431538558.db2.gz AONUBCCUWIIWPB-SFHVURJKSA-N 2 0 320.477 2.829 20 0 DFADRP CC[NH+](CC)CCCN1CCC([NH2+]Cc2ccccc2)CC1 ZINC000660674582 431545063 /nfs/dbraw/zinc/54/50/63/431545063.db2.gz AQZSAPMGPOWSBM-UHFFFAOYSA-N 2 0 303.494 2.973 20 0 DFADRP C[C@H]([NH2+]C[C@H]1CSc2ccccc2O1)C1CC[NH+](C)CC1 ZINC000647314079 431547847 /nfs/dbraw/zinc/54/78/47/431547847.db2.gz MPVZWLGMNRUGNR-ZFWWWQNUSA-N 2 0 306.475 2.860 20 0 DFADRP C[C@H]1C[C@H](NC2CC[NH+](Cc3ccccc3)CC2)CC[N@@H+]1C ZINC000174514294 280008516 /nfs/dbraw/zinc/00/85/16/280008516.db2.gz MBBLXPVEYUQWOP-QFBILLFUSA-N 2 0 301.478 2.723 20 0 DFADRP CC(C)C[NH2+]C1(CO)CC[NH+](C[C@@H]2C[C@H]2c2ccccc2)CC1 ZINC000660699739 431555334 /nfs/dbraw/zinc/55/53/34/431555334.db2.gz YYZSVAXSAZKCCZ-OALUTQOASA-N 2 0 316.489 2.863 20 0 DFADRP Cc1cccc2nc(CC[NH2+][C@@H]3CC[N@@H+](C)[C@H]4CCC[C@@H]43)cn21 ZINC000647364101 431566098 /nfs/dbraw/zinc/56/60/98/431566098.db2.gz RUQXJRKVKXCYRC-KURKYZTESA-N 2 0 312.461 2.648 20 0 DFADRP CC(C)[C@H](C(=O)N[C@@H](C[NH3+])c1ccc2ccccc2c1)[NH+](C)C ZINC000278281359 280178601 /nfs/dbraw/zinc/17/86/01/280178601.db2.gz PXVVBLHYJZOUTO-ZWKOTPCHSA-N 2 0 313.445 2.542 20 0 DFADRP C[S@](=O)C1(C[NH2+]C2CC[NH+](C3CCCCC3)CC2)CCC1 ZINC000367162458 280179401 /nfs/dbraw/zinc/17/94/01/280179401.db2.gz BNCCCRPZQXJCPL-NRFANRHFSA-N 2 0 312.523 2.674 20 0 DFADRP CC(C)[C@H](CO)[N@H+](CC[C@H]1CCC[NH+]1C)Cc1ccccc1 ZINC000245704237 280260651 /nfs/dbraw/zinc/26/06/51/280260651.db2.gz RVHFJGRQJGGJHM-MOPGFXCFSA-N 2 0 304.478 2.990 20 0 DFADRP CC(C)[C@H]([NH3+])C(=O)NCc1ccccc1C[N@@H+]1CCCC[C@H]1C ZINC000164591185 280274699 /nfs/dbraw/zinc/27/46/99/280274699.db2.gz NKZGIWHXJWDMQS-QAPCUYQASA-N 2 0 317.477 2.661 20 0 DFADRP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCC[N@H+](Cc3ccc(F)c(F)c3)C2)C1 ZINC000650705866 431652879 /nfs/dbraw/zinc/65/28/79/431652879.db2.gz ZFTOOUFLHNBGAE-CKEIUWERSA-N 2 0 310.388 2.683 20 0 DFADRP c1nn(C2CC[NH+](Cc3cccc4c3CCC4)CC2)c2c1C[NH2+]C2 ZINC000650704031 431653578 /nfs/dbraw/zinc/65/35/78/431653578.db2.gz DAFQVJAGDWZWRW-UHFFFAOYSA-N 2 0 322.456 2.812 20 0 DFADRP [NH3+][C@@H]1CCCO[C@@H]1C1CC[NH+](Cc2cccc3c2CCC3)CC1 ZINC000650704359 431653922 /nfs/dbraw/zinc/65/39/22/431653922.db2.gz VDZQECZEQAOTRX-WOJBJXKFSA-N 2 0 314.473 2.894 20 0 DFADRP C[C@H]1CCC[N@H+](Cc2ccc(OCC[NH+](C)C)cc2)[C@@H]1CC[NH3+] ZINC000650711024 431656494 /nfs/dbraw/zinc/65/64/94/431656494.db2.gz GMEUWSNIUWVHON-QFBILLFUSA-N 3 0 319.493 2.576 20 0 DFADRP CCOc1ccc(C[N@@H+]2C[C@@H]3CCC[C@]3(C[NH3+])C2)cc1OC ZINC000650708724 431656932 /nfs/dbraw/zinc/65/69/32/431656932.db2.gz JVMYCAYQYLMFHE-YJBOKZPZSA-N 2 0 304.434 2.655 20 0 DFADRP CCN(CC)c1ncc(C[N@@H+]2CCC[C@@H](C)[C@@H]2CC[NH3+])s1 ZINC000650711357 431657322 /nfs/dbraw/zinc/65/73/22/431657322.db2.gz QVEJMNDVOHXAAK-HIFRSBDPSA-N 2 0 310.511 2.939 20 0 DFADRP Cc1ccc(F)cc1C[N@@H+]1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1 ZINC000650708377 431657608 /nfs/dbraw/zinc/65/76/08/431657608.db2.gz YVLJAXUVBKGGDA-QGTPRVQTSA-N 2 0 306.425 2.852 20 0 DFADRP Cc1ccc(CCC[N@@H+]2CCC[C@H]([C@H]3C[C@H]([NH3+])CCO3)C2)cn1 ZINC000650708317 431658257 /nfs/dbraw/zinc/65/82/57/431658257.db2.gz XRQCJUBZBFCIGS-IPMKNSEASA-N 2 0 317.477 2.541 20 0 DFADRP Cc1ccc(-c2nn(C)cc2C[N@@H+](C)CC[C@@H]([NH3+])C(C)C)o1 ZINC000647505788 431608860 /nfs/dbraw/zinc/60/88/60/431608860.db2.gz DBPLUTQRPJNUFD-OAHLLOKOSA-N 2 0 304.438 2.794 20 0 DFADRP Cc1ccc(-c2nn(C)cc2C[N@@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)o1 ZINC000647511819 431611835 /nfs/dbraw/zinc/61/18/35/431611835.db2.gz ILBQRVANDJHMKZ-BPUTZDHNSA-N 2 0 314.433 2.548 20 0 DFADRP COc1cccc(CC2CC[NH+](C[C@H]3CCC[NH2+]C3)CC2)c1 ZINC000647518387 431614160 /nfs/dbraw/zinc/61/41/60/431614160.db2.gz FEHZFNRWRIZFPN-SFHVURJKSA-N 2 0 302.462 2.949 20 0 DFADRP C[N@@H+]1CCC[C@@H](CC[NH2+]Cc2ncccc2C(F)(F)F)C1 ZINC000657182733 431619707 /nfs/dbraw/zinc/61/97/07/431619707.db2.gz MWOVBASZDCSWDE-LBPRGKRZSA-N 2 0 301.356 2.922 20 0 DFADRP c1cc2c(c(C[N@@H+]3CCC[C@@H]([C@H]4CCC[NH2+]C4)C3)c1)OCO2 ZINC000647542944 431623844 /nfs/dbraw/zinc/62/38/44/431623844.db2.gz FAVXDTGZRLBEBL-LSDHHAIUSA-N 2 0 302.418 2.627 20 0 DFADRP CC(C)c1ccc([C@H](N)C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC000647546680 431623899 /nfs/dbraw/zinc/62/38/99/431623899.db2.gz VRBGUYVIXSKTSA-INDMIFKZSA-N 2 0 301.478 2.788 20 0 DFADRP CC(C)(C)c1n[nH]cc1C[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647543870 431624255 /nfs/dbraw/zinc/62/42/55/431624255.db2.gz TUVRTTHALCYVSD-GJZGRUSLSA-N 2 0 304.482 2.919 20 0 DFADRP C(c1nc2c(s1)CCCC2)[N@@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000647545729 431624693 /nfs/dbraw/zinc/62/46/93/431624693.db2.gz JVLFVCOXNRGAIB-KBPBESRZSA-N 2 0 305.491 2.843 20 0 DFADRP Cn1cc(C[N@@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)c(C(C)(C)C)n1 ZINC000647543882 431624980 /nfs/dbraw/zinc/62/49/80/431624980.db2.gz TWCGXRYDJPFAPQ-HOTGVXAUSA-N 2 0 318.509 2.929 20 0 DFADRP COc1ccc(C[N@@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)cc1OC ZINC000647543912 431625049 /nfs/dbraw/zinc/62/50/49/431625049.db2.gz UJGUOSIYLMFBOP-SJORKVTESA-N 2 0 318.461 2.915 20 0 DFADRP CC(=O)Nc1ccc(C[N@@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)cc1 ZINC000647544256 431625912 /nfs/dbraw/zinc/62/59/12/431625912.db2.gz YTIQVGQECZVNPV-MSOLQXFVSA-N 2 0 315.461 2.857 20 0 DFADRP CC(=O)Nc1ccccc1C[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647543524 431626059 /nfs/dbraw/zinc/62/60/59/431626059.db2.gz ORXBYXASJZKIII-SJORKVTESA-N 2 0 315.461 2.857 20 0 DFADRP Cc1ccc(-c2nn(C)cc2C[NH2+][C@H]2CC[NH2+]C3(CCC3)C2)o1 ZINC000647547785 431626859 /nfs/dbraw/zinc/62/68/59/431626859.db2.gz DQFMMFHRMVXBRD-HNNXBMFYSA-N 2 0 314.433 2.753 20 0 DFADRP CCOc1ccc(C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)cc1OC ZINC000647550230 431627275 /nfs/dbraw/zinc/62/72/75/431627275.db2.gz GRUPTQGBGILEKQ-ARFHVFGLSA-N 2 0 304.434 2.572 20 0 DFADRP C[NH2+]Cc1ccccc1C[NH2+]Cc1cn(-c2cc[nH+]cc2)nc1C ZINC000650719151 431661242 /nfs/dbraw/zinc/66/12/42/431661242.db2.gz FUQJFRIEKWSEGX-UHFFFAOYSA-N 3 0 321.428 2.585 20 0 DFADRP C[C@@H]1CCCC[N@@H+]1CCCC[NH2+]Cc1cn(C2CCC2)nn1 ZINC000657311486 431664768 /nfs/dbraw/zinc/66/47/68/431664768.db2.gz LFGPRJHTUKEOHL-OAHLLOKOSA-N 2 0 305.470 2.747 20 0 DFADRP CC[NH+]1CCN([C@H](C)C[NH2+]C2CCC(C3CCC3)CC2)CC1 ZINC000657309826 431665688 /nfs/dbraw/zinc/66/56/88/431665688.db2.gz IPZHYDCEDLHKLC-IPJUCJBFSA-N 2 0 307.526 2.961 20 0 DFADRP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCC[N@@H+]2Cc2scnc2C2CC2)C1 ZINC000650725214 431667828 /nfs/dbraw/zinc/66/78/28/431667828.db2.gz VVILKLVHRLHUJR-QLFBSQMISA-N 2 0 321.490 2.881 20 0 DFADRP C[C@H]1CCCC[C@@H]1OCC[NH2+]Cc1ccnn1-c1cc[nH+]cc1 ZINC000657317324 431674155 /nfs/dbraw/zinc/67/41/55/431674155.db2.gz CLQAWZJLTCFABY-YJBOKZPZSA-N 2 0 314.433 2.952 20 0 DFADRP C[C@H]([NH3+])[C@H]1COCC[C@H]1[NH2+]CC1(c2ccccc2F)CCC1 ZINC000650740749 431676057 /nfs/dbraw/zinc/67/60/57/431676057.db2.gz PZJUBQSHAOQYCD-JJRVBVJISA-N 2 0 306.425 2.589 20 0 DFADRP CCc1cccc2cc(CNC[C@H](O)C[NH+]3CCCCC3)oc21 ZINC000657326265 431676497 /nfs/dbraw/zinc/67/64/97/431676497.db2.gz OKAIVSBMAPGKPW-KRWDZBQOSA-N 2 0 316.445 2.932 20 0 DFADRP C[NH2+]Cc1ccccc1C[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1 ZINC000650756315 431681619 /nfs/dbraw/zinc/68/16/19/431681619.db2.gz ZIDPVPQOYODIDC-GBESFXJTSA-N 3 0 301.478 2.806 20 0 DFADRP c1c(CNC2CC[NH+](CC3CCCC3)CC2)nn2c1CCC2 ZINC000657335886 431681727 /nfs/dbraw/zinc/68/17/27/431681727.db2.gz LDQSTCKGWXWQDC-UHFFFAOYSA-N 2 0 302.466 2.574 20 0 DFADRP C[NH2+]Cc1ccccc1C[NH2+][C@H]1COc2ccc(OC)cc2C1 ZINC000650756143 431682272 /nfs/dbraw/zinc/68/22/72/431682272.db2.gz VJTMJOLVHLTIBQ-QGZVFWFLSA-N 2 0 312.413 2.508 20 0 DFADRP [NH3+]Cc1ccc(C[NH2+][C@@H]2CCCC[C@@H]2[C@@H]2CCOC2)c(F)c1 ZINC000650755007 431683180 /nfs/dbraw/zinc/68/31/80/431683180.db2.gz WVBSTAJNVQLTEK-JFIYKMOQSA-N 2 0 306.425 2.969 20 0 DFADRP FC(F)Oc1ccc(CC[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC000647785832 431683976 /nfs/dbraw/zinc/68/39/76/431683976.db2.gz FOMIPAKTDLKXEI-QLFBSQMISA-N 2 0 310.388 2.808 20 0 DFADRP CN(C)c1cc(C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)c2ccccc2n1 ZINC000647788266 431684134 /nfs/dbraw/zinc/68/41/34/431684134.db2.gz GPHMHPWCVVMSCO-YQQAZPJKSA-N 2 0 324.472 2.779 20 0 DFADRP C[C@H]([NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1)c1cccc(-n2ccnc2)c1 ZINC000647788274 431684578 /nfs/dbraw/zinc/68/45/78/431684578.db2.gz GWOAVZQRTRCKIG-LEUOFYLZSA-N 2 0 310.445 2.911 20 0 DFADRP FC1(F)Oc2ccc(CC[NH2+][C@@H]3CC[C@@H]4C[NH2+]C[C@H]4C3)cc2O1 ZINC000650761245 431685006 /nfs/dbraw/zinc/68/50/06/431685006.db2.gz VSWXDMPSRJHTAR-MGPQQGTHSA-N 2 0 324.371 2.528 20 0 DFADRP Clc1cccc(N2CC[C@H]([NH2+][C@@H]3CC[C@H]4C[NH2+]C[C@H]4C3)C2)c1 ZINC000647788682 431686483 /nfs/dbraw/zinc/68/64/83/431686483.db2.gz ONSRTFGUJAFMLZ-ABFRBSLYSA-N 2 0 319.880 2.896 20 0 DFADRP Cc1ccc([C@H](C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)N2CCCC2)o1 ZINC000647790064 431686875 /nfs/dbraw/zinc/68/68/75/431686875.db2.gz QQBWSLTWMPDSCU-MLHJIOFPSA-N 2 0 317.477 2.703 20 0 DFADRP COc1ccc(C(C)(C)C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC000647791992 431687347 /nfs/dbraw/zinc/68/73/47/431687347.db2.gz RCQGBTREYSOVIZ-YQQAZPJKSA-N 2 0 302.462 2.951 20 0 DFADRP CO[C@H](c1ccc(F)cc1)[C@H](C)[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000647794103 431688819 /nfs/dbraw/zinc/68/88/19/431688819.db2.gz REPUIUJHPWGKLQ-IVFVNLKQSA-N 2 0 306.425 2.879 20 0 DFADRP COc1ccc([C@H](OC)[C@H](C)[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC000647794306 431689087 /nfs/dbraw/zinc/68/90/87/431689087.db2.gz XNRYKGYYKSWIOT-VNDHCKRVSA-N 2 0 318.461 2.749 20 0 DFADRP c1ccc(COC2CC([NH2+][C@@H]3CC[C@@H]4C[NH2+]C[C@H]4C3)C2)cc1 ZINC000647795008 431689537 /nfs/dbraw/zinc/68/95/37/431689537.db2.gz HSKUWMZWXZIGPT-QHIRMHHVSA-N 2 0 300.446 2.712 20 0 DFADRP COc1ccc(C[C@H](C)C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC000647793771 431690070 /nfs/dbraw/zinc/69/00/70/431690070.db2.gz HUWHOIFFKYLEQU-LEUOFYLZSA-N 2 0 302.462 2.852 20 0 DFADRP Clc1ccc(N2CC[C@H]([NH2+][C@@H]3CC[C@@H]4C[NH2+]C[C@@H]4C3)C2)cc1 ZINC000647794008 431690142 /nfs/dbraw/zinc/69/01/42/431690142.db2.gz OELBYSOWRFMVKY-WTTBNOFXSA-N 2 0 319.880 2.896 20 0 DFADRP C[C@H](O)[C@](C)(C[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1)Cc1ccccc1 ZINC000647795800 431690269 /nfs/dbraw/zinc/69/02/69/431690269.db2.gz WGZJOQWOWPVMLE-FLNBYBTLSA-N 2 0 316.489 2.594 20 0 DFADRP c1cnc(OC2CCCC2)c(C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000647793319 431690418 /nfs/dbraw/zinc/69/04/18/431690418.db2.gz TXZDXZBDBJAVMP-BHYGNILZSA-N 2 0 315.461 2.881 20 0 DFADRP C([NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)[C@H]1CCC[N@@H+]1C1CCCCC1 ZINC000647796936 431691335 /nfs/dbraw/zinc/69/13/35/431691335.db2.gz RJJCIYLMFSQWDU-SFNKJDCFSA-N 3 0 305.510 2.761 20 0 DFADRP CN(C)C[C@H]([NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)c1ccc(Cl)cc1 ZINC000647797100 431691911 /nfs/dbraw/zinc/69/19/11/431691911.db2.gz ZARVWKNQHGFDLD-ATLSCFEFSA-N 2 0 321.896 2.920 20 0 DFADRP C([NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1)[C@H]1CCC[N@@H+]1C1CCCCC1 ZINC000647796935 431691991 /nfs/dbraw/zinc/69/19/91/431691991.db2.gz RJJCIYLMFSQWDU-IMBTUZDBSA-N 3 0 305.510 2.761 20 0 DFADRP FC(F)(F)c1ccnc(CC[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)c1 ZINC000647798963 431692204 /nfs/dbraw/zinc/69/22/04/431692204.db2.gz ZTMZBTHMVCBMRE-OUCADQQQSA-N 2 0 313.367 2.621 20 0 DFADRP CCOc1ccc([C@H](COC)[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000647797025 431692452 /nfs/dbraw/zinc/69/24/52/431692452.db2.gz VHOBWJUQGPBYLG-MTNOOBJLSA-N 2 0 318.461 2.751 20 0 DFADRP Cc1cccc2nc(CC[NH2+][C@H]3C[C@H]([NH3+])c4ccccc43)cn21 ZINC000647804141 431693139 /nfs/dbraw/zinc/69/31/39/431693139.db2.gz JUPGAOCLOMVJSS-ROUUACIJSA-N 2 0 306.413 2.920 20 0 DFADRP C[NH+]1CCC(C[NH2+]Cc2cc(F)ccc2OC(F)F)CC1 ZINC000657348849 431693463 /nfs/dbraw/zinc/69/34/63/431693463.db2.gz JYFOHTNQEWDUMR-UHFFFAOYSA-N 2 0 302.340 2.859 20 0 DFADRP Cc1cccc2[nH]c(C[NH2+]CCCC[N@@H+]3CCC[C@H]3CO)cc21 ZINC000657355890 431695552 /nfs/dbraw/zinc/69/55/52/431695552.db2.gz CWJAABDFIRIXMR-KRWDZBQOSA-N 2 0 315.461 2.803 20 0 DFADRP CC[N@H+](CCCC1CC[NH2+]CC1)C[C@@H]1COc2ccccc2O1 ZINC000647872332 431713685 /nfs/dbraw/zinc/71/36/85/431713685.db2.gz XEDKEBKOPGZXNX-QGZVFWFLSA-N 2 0 318.461 2.928 20 0 DFADRP Cc1cc(N2C[C@H]([NH+]3CCOCC3)[C@@H](C)C2)c2ccccc2[nH+]1 ZINC000267569541 280588210 /nfs/dbraw/zinc/58/82/10/280588210.db2.gz WRYSPMDRSZPTQL-LIRRHRJNSA-N 2 0 311.429 2.700 20 0 DFADRP C[NH2+]Cc1ccccc1C[NH2+]C1CCN(CC(F)(F)F)CC1 ZINC000650719110 431662765 /nfs/dbraw/zinc/66/27/65/431662765.db2.gz DMALSGCDGGFGJC-UHFFFAOYSA-N 2 0 315.383 2.522 20 0 DFADRP CC(C)(O)C[NH+]1CCC([NH2+]Cc2cccc3cccnc32)CC1 ZINC000647908965 431724225 /nfs/dbraw/zinc/72/42/25/431724225.db2.gz BNKWNIKPXHERJG-UHFFFAOYSA-N 2 0 313.445 2.560 20 0 DFADRP c1cc(C[NH2+]C[C@H]2[C@@H]3c4ccccc4C[C@H]23)n(-c2cc[nH+]cc2)n1 ZINC000657398920 431726347 /nfs/dbraw/zinc/72/63/47/431726347.db2.gz FRVBHYLROHTWNW-VAMGGRTRSA-N 2 0 316.408 2.943 20 0 DFADRP CC[N@@H+]1CCC[C@H](CN(C)c2ccccn2)[C@@H]1c1cnn(C)c1 ZINC000664295377 431726899 /nfs/dbraw/zinc/72/68/99/431726899.db2.gz MTUBMTCWWJEONL-CRAIPNDOSA-N 2 0 313.449 2.725 20 0 DFADRP CO[C@](C)(C[N@@H+]1CC[C@@H](n2cnc3c2CCCC3)C1)C1CC1 ZINC000647912543 431727150 /nfs/dbraw/zinc/72/71/50/431727150.db2.gz MSCDZXPURPPAMN-CRAIPNDOSA-N 2 0 303.450 2.824 20 0 DFADRP CC[C@@H]1C[N@H+](CCC(=O)Nc2ccccc2SC)CC[C@H]1[NH3+] ZINC000647938303 431739659 /nfs/dbraw/zinc/73/96/59/431739659.db2.gz JHRVZKJKPXMLSW-ZIAGYGMSSA-N 2 0 321.490 2.796 20 0 DFADRP CC(C)(C)[C@H]1C[C@@H]([NH2+]Cc2ccnn2-c2cc[nH+]cc2)CCO1 ZINC000657422006 431740814 /nfs/dbraw/zinc/74/08/14/431740814.db2.gz KXZVULZNLUEHFV-WMLDXEAASA-N 2 0 314.433 2.951 20 0 DFADRP C[C@@H]1C[C@H](CC[NH2+]Cc2ccnn2-c2cc[nH+]cc2)CCO1 ZINC000657432835 431748713 /nfs/dbraw/zinc/74/87/13/431748713.db2.gz VSSNWBCEERKITI-HUUCEWRRSA-N 2 0 300.406 2.562 20 0 DFADRP CC(C)[N@H+](C)C[C@H](O)C[NH+]1CCCC[C@H]1Cc1ccccc1 ZINC000647962293 431751422 /nfs/dbraw/zinc/75/14/22/431751422.db2.gz XROWLURYSNAWBJ-OALUTQOASA-N 2 0 304.478 2.785 20 0 DFADRP C[C@H](O)[C@](C)(C[NH2+]Cc1cnc2n1CCC2)Cc1ccccc1 ZINC000657447634 431756643 /nfs/dbraw/zinc/75/66/43/431756643.db2.gz OWSFZRQZEUWUHU-KXBFYZLASA-N 2 0 313.445 2.549 20 0 DFADRP CC(C)C[C@H](C)N(C)C(=O)C[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647978281 431761587 /nfs/dbraw/zinc/76/15/87/431761587.db2.gz PIBJBXGVHOKFAM-KSZLIROESA-N 2 0 323.525 2.591 20 0 DFADRP O=C(C[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1)NC1CCCCCC1 ZINC000647975271 431761606 /nfs/dbraw/zinc/76/16/06/431761606.db2.gz TYYQAXMLQZJDPP-SJORKVTESA-N 2 0 321.509 2.537 20 0 DFADRP O=C(CC[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1)Nc1ccccc1 ZINC000647976770 431762897 /nfs/dbraw/zinc/76/28/97/431762897.db2.gz TZMZOARAASKXLD-SJORKVTESA-N 2 0 315.461 2.727 20 0 DFADRP COc1cccc(OCC[N@@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)c1 ZINC000647977754 431763427 /nfs/dbraw/zinc/76/34/27/431763427.db2.gz HBUHENBBHYYUSQ-IAGOWNOFSA-N 2 0 318.461 2.786 20 0 DFADRP CO[C@@H](C[NH2+]Cc1cnc2n1CCC2)c1cccc(Cl)c1 ZINC000657381801 431715378 /nfs/dbraw/zinc/71/53/78/431715378.db2.gz RJEPZDZFRBVTCV-HNNXBMFYSA-N 2 0 305.809 2.960 20 0 DFADRP CC(C)(C)C(=O)NC[C@@H]1CCC[N@H+](CCCC2CC[NH2+]CC2)C1 ZINC000647884643 431718092 /nfs/dbraw/zinc/71/80/92/431718092.db2.gz TWBPHOVHFQBGAA-KRWDZBQOSA-N 2 0 323.525 2.641 20 0 DFADRP CCCCCC(=O)NC1CC[NH+](CCCC2CC[NH2+]CC2)CC1 ZINC000647883479 431718182 /nfs/dbraw/zinc/71/81/82/431718182.db2.gz VTSTWHGDKIZFMV-UHFFFAOYSA-N 2 0 323.525 2.927 20 0 DFADRP CCOc1ccc(C[NH2+]CCN2CCC([NH+](C)C)CC2)c(C)c1 ZINC000657387372 431719347 /nfs/dbraw/zinc/71/93/47/431719347.db2.gz UGDMANAUNHJEFK-UHFFFAOYSA-N 2 0 319.493 2.509 20 0 DFADRP Cc1cccc2[nH]c(C[NH2+]CCN3CCC([NH+](C)C)CC3)cc21 ZINC000657387290 431719461 /nfs/dbraw/zinc/71/94/61/431719461.db2.gz SSDYALFTFDVGCP-UHFFFAOYSA-N 2 0 314.477 2.592 20 0 DFADRP CCO[C@H](CC[NH+](C)C)C[NH2+]Cc1cc2ccncc2s1 ZINC000657389499 431720617 /nfs/dbraw/zinc/72/06/17/431720617.db2.gz KHFJXIXCULKHBQ-CQSZACIVSA-N 2 0 307.463 2.743 20 0 DFADRP CCC(C)(C)[C@@H](C)[NH2+]CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000661230729 431788729 /nfs/dbraw/zinc/78/87/29/431788729.db2.gz CORTYXGKNMMBBT-WBVHZDCISA-N 2 0 319.493 2.820 20 0 DFADRP C[C@@H](CN(C)CCC[NH+](C)C)[NH2+]Cc1cc2ccncc2s1 ZINC000657572623 431815007 /nfs/dbraw/zinc/81/50/07/431815007.db2.gz DDNURUCPPBNRJS-AWEZNQCLSA-N 2 0 320.506 2.658 20 0 DFADRP C[C@@H](CN(C)CCC[NH+](C)C)[NH2+]Cc1ccc(C(F)F)cc1 ZINC000657573154 431815548 /nfs/dbraw/zinc/81/55/48/431815548.db2.gz KOYVRZQGQOSPLK-AWEZNQCLSA-N 2 0 313.436 2.986 20 0 DFADRP C(CC1CC[NH2+]CC1)C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000647990873 431766392 /nfs/dbraw/zinc/76/63/92/431766392.db2.gz RCJAJOHVIFMHDF-IEBWSBKVSA-N 3 0 305.510 2.715 20 0 DFADRP [NH3+][C@@H](Cc1ccccc1)[C@@H](O)C[N@@H+]1CCCC[C@@H]1C1CCC1 ZINC000647997665 431770393 /nfs/dbraw/zinc/77/03/93/431770393.db2.gz XTVDOTMNHUWARW-OTWHNJEPSA-N 2 0 302.462 2.572 20 0 DFADRP CN1CC[C@H]([NH2+]CCCC2CC[NH2+]CC2)[C@H]1c1ccccc1 ZINC000647992638 431770413 /nfs/dbraw/zinc/77/04/13/431770413.db2.gz VVBLYSISBMXMGX-RBUKOAKNSA-N 2 0 301.478 2.801 20 0 DFADRP CC(C)(C[NH2+]Cc1ccnn1-c1cc[nH+]cc1)c1ccccn1 ZINC000657480667 431776091 /nfs/dbraw/zinc/77/60/91/431776091.db2.gz SDZKTKRAKGPMAG-UHFFFAOYSA-N 2 0 307.401 2.730 20 0 DFADRP CC(C)(C[NH2+]Cc1ccnn1-c1cc[nH+]cc1)OCC1CC1 ZINC000657492600 431782318 /nfs/dbraw/zinc/78/23/18/431782318.db2.gz GNIPAOWNTIVIBB-UHFFFAOYSA-N 2 0 300.406 2.562 20 0 DFADRP CCC[N@H+](C)CC(C)(C)NC(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000664455694 431782603 /nfs/dbraw/zinc/78/26/03/431782603.db2.gz DCKFATHJGDFAIG-UHFFFAOYSA-N 2 0 320.481 2.990 20 0 DFADRP CO[C@H]1CCC[C@@H]([NH2+]CC2CC[NH+](Cc3ccncc3)CC2)C1 ZINC000657613263 431825004 /nfs/dbraw/zinc/82/50/04/431825004.db2.gz JZIWNHWSNZGBSX-MOPGFXCFSA-N 2 0 317.477 2.841 20 0 DFADRP CO[C@@H]1CCC[C@H]([NH2+]CC2CC[NH+](Cc3ccncc3)CC2)C1 ZINC000657613265 431825188 /nfs/dbraw/zinc/82/51/88/431825188.db2.gz JZIWNHWSNZGBSX-RBUKOAKNSA-N 2 0 317.477 2.841 20 0 DFADRP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+]C[C@@H]1CCC[C@H](C)O1 ZINC000657662547 431833460 /nfs/dbraw/zinc/83/34/60/431833460.db2.gz AOYVCACFROEBFM-GUYCJALGSA-N 2 0 300.406 2.623 20 0 DFADRP CCC(C)(C)[NH2+][C@@H](C)C(=O)NC[C@@H]1CCC[N@H+](CC(C)C)C1 ZINC000357151176 282010536 /nfs/dbraw/zinc/01/05/36/282010536.db2.gz SLUGXNCEPBAIHU-HOTGVXAUSA-N 2 0 311.514 2.637 20 0 DFADRP C[NH+](C)C1CCN(CC[NH2+][C@H]2CCCNc3ccccc32)CC1 ZINC000192931174 282051498 /nfs/dbraw/zinc/05/14/98/282051498.db2.gz IAJIXWXIYHFPFE-IBGZPJMESA-N 2 0 316.493 2.549 20 0 DFADRP Cc1[nH+]c2ccccc2c(N2CC[N@@H+](C[C@@H](C)O)[C@@H](C)C2)c1C ZINC000302088409 282073173 /nfs/dbraw/zinc/07/31/73/282073173.db2.gz OJOWKKMOZJQOSR-UONOGXRCSA-N 2 0 313.445 2.743 20 0 DFADRP COc1c[nH+]ccc1N1CC[NH+](CCCc2ccccc2)CC1 ZINC000361519253 289068101 /nfs/dbraw/zinc/06/81/01/289068101.db2.gz NFJTZCRHIJWFDL-UHFFFAOYSA-N 2 0 311.429 2.845 20 0 DFADRP c1ccc(-c2nnc(CN3C[C@@H]4C[N@@H+]5CCCC[C@@H]5[C@@H]4C3)o2)cc1 ZINC000363416362 289091966 /nfs/dbraw/zinc/09/19/66/289091966.db2.gz ZZTPBNNIYWCGQU-BRWVUGGUSA-N 2 0 324.428 2.653 20 0 DFADRP CCCN(CC[NH+]1CCCCCC1)C(=O)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000418577518 289153028 /nfs/dbraw/zinc/15/30/28/289153028.db2.gz IHURBCVUNNDSAN-SJORKVTESA-N 2 0 324.513 2.554 20 0 DFADRP COC[C@H](C)[NH2+][C@H]1CC2(CC[NH+](C)CC2)Oc2ccccc21 ZINC000375020251 293037251 /nfs/dbraw/zinc/03/72/51/293037251.db2.gz MQCAOYNKYLBSSN-HOCLYGCPSA-N 2 0 304.434 2.599 20 0 DFADRP C[C@@H]1CN(C[C@@H]2CCC[NH2+]C2)[C@@H](C)C[N@@H+]1Cc1ccccc1 ZINC000261774096 297019986 /nfs/dbraw/zinc/01/99/86/297019986.db2.gz DYQJCQXKAMGNDV-ZIFCJYIRSA-N 2 0 301.478 2.581 20 0 DFADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC[C@@H](C1CC1)[NH+](C)C ZINC000360414204 297032301 /nfs/dbraw/zinc/03/23/01/297032301.db2.gz ORYFURPKKPLSBW-UXPWSPDFSA-N 2 0 315.505 2.827 20 0 DFADRP CCC[C@@H](C(=O)NC[C@@H]1CCC[N@@H+]1C1CCCCC1)[NH+](C)C ZINC000437875488 297072878 /nfs/dbraw/zinc/07/28/78/297072878.db2.gz LRFCQPOSJMFRIT-IRXDYDNUSA-N 2 0 309.498 2.630 20 0 DFADRP CC[NH+]1CCN(c2ccc(C[NH2+]CCC(C)(C)C)cn2)CC1 ZINC000438077725 297078869 /nfs/dbraw/zinc/07/88/69/297078869.db2.gz HJZPUHIWVVSGER-UHFFFAOYSA-N 2 0 304.482 2.749 20 0 DFADRP C[C@@H]1C[N@@H+](CCC2CC[NH+](CC[C@H]3CCOC3)CC2)C[C@H](C)O1 ZINC000438114859 297081094 /nfs/dbraw/zinc/08/10/94/297081094.db2.gz PIWMBTMGLSAVLN-SCTDSRPQSA-N 2 0 324.509 2.624 20 0 DFADRP COc1cccc(C[N@H+](C[C@H]2CCCO2)CC2CC[NH2+]CC2)c1 ZINC000178966262 295296877 /nfs/dbraw/zinc/29/68/77/295296877.db2.gz BTKZZPIZMAWSPC-LJQANCHMSA-N 2 0 318.461 2.676 20 0 DFADRP CCC[C@H]([NH2+]CCCN1CC[NH+](CC)CC1)c1ccccn1 ZINC000158625120 295365252 /nfs/dbraw/zinc/36/52/52/295365252.db2.gz IGLKZIUTZJBOCD-KRWDZBQOSA-N 2 0 304.482 2.540 20 0 DFADRP CCCCNC(=O)C[NH+]1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000158988032 295370514 /nfs/dbraw/zinc/37/05/14/295370514.db2.gz ZEJIYIJYESBIGS-KRWDZBQOSA-N 2 0 323.525 2.879 20 0 DFADRP Cc1noc(C2CCC([NH2+][C@H]3CCC[C@@H]([NH+](C)C)C3)CC2)n1 ZINC000368032021 295455704 /nfs/dbraw/zinc/45/57/04/295455704.db2.gz WGZZFONZVSZIBF-SSHXOBKSSA-N 2 0 306.454 2.867 20 0 DFADRP CCCCN(CCCC)C(=O)C[NH+]1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000390224281 295478239 /nfs/dbraw/zinc/47/82/39/295478239.db2.gz QLJNPXIIUQNYSI-GOSISDBHSA-N 2 0 323.525 2.879 20 0 DFADRP C[C@@H]1CCC[C@H]1[NH2+]CC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000397499184 295487965 /nfs/dbraw/zinc/48/79/65/295487965.db2.gz UISMOQIGSUQZJA-SJLPKXTDSA-N 2 0 302.462 2.792 20 0 DFADRP CCCC[C@@H]([NH2+]CC(=O)NC1CC[NH+](CC)CC1)C1CCC1 ZINC000411517639 295543953 /nfs/dbraw/zinc/54/39/53/295543953.db2.gz MZCODGUCZLFODB-QGZVFWFLSA-N 2 0 309.498 2.535 20 0 DFADRP CC(C)[NH+]1CCC(NC(=O)C[NH2+][C@H]2CCCCC2(C)C)CC1 ZINC000411557639 295546523 /nfs/dbraw/zinc/54/65/23/295546523.db2.gz ZXIBBBFWQYTQSW-INIZCTEOSA-N 2 0 309.498 2.534 20 0 DFADRP CC(C)[NH+]1CCC(NC(=O)C[NH2+][C@@]2(C)CCCC[C@@H]2C)CC1 ZINC000411813302 295560487 /nfs/dbraw/zinc/56/04/87/295560487.db2.gz DSCYLZZSDQMTSW-YJBOKZPZSA-N 2 0 309.498 2.534 20 0 DFADRP C[C@H]1CC[C@H](C)[NH+]1CC(=O)Nc1ccccc1CC[NH+](C)C ZINC000438569157 297099068 /nfs/dbraw/zinc/09/90/68/297099068.db2.gz LUPRXWFQGJMBLC-GJZGRUSLSA-N 2 0 303.450 2.602 20 0 DFADRP OCC[N@H+](Cc1ccc(-n2ccnc2)cc1)C1CCSCC1 ZINC000439016728 297112112 /nfs/dbraw/zinc/11/21/12/297112112.db2.gz ZHSYTSXDSQMJPT-UHFFFAOYSA-N 2 0 317.458 2.562 20 0 DFADRP C[C@H]1CC[C@H](C)[NH+]1CC(=O)N(CC[NH+](C)C)Cc1cccs1 ZINC000439027180 297112387 /nfs/dbraw/zinc/11/23/87/297112387.db2.gz NMNXWOJTQZCGBG-GJZGRUSLSA-N 2 0 323.506 2.511 20 0 DFADRP C[N@H+](CCNC(=O)[C@@H]1CCC[NH+]1C1CCCC1)C1CCCCC1 ZINC000440116452 297144659 /nfs/dbraw/zinc/14/46/59/297144659.db2.gz FCNXOIDZVGIVCI-SFHVURJKSA-N 2 0 321.509 2.774 20 0 DFADRP CCC[NH+]1CCC(CNC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC000440130433 297145284 /nfs/dbraw/zinc/14/52/84/297145284.db2.gz ISJJAJXSMCPTJK-GOSISDBHSA-N 2 0 321.509 2.632 20 0 DFADRP C[C@@H](C(=O)N(C)CC[C@@H]1CCCC[NH+]1C)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000440255206 297148982 /nfs/dbraw/zinc/14/89/82/297148982.db2.gz MVLWNKCSHKPPLH-YVSFHVDLSA-N 2 0 309.498 2.581 20 0 DFADRP COC(=O)CC1(C[NH2+][C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)CC1 ZINC000440498655 297154422 /nfs/dbraw/zinc/15/44/22/297154422.db2.gz ZHTJPVQDXSVZLW-LSDHHAIUSA-N 2 0 308.466 2.572 20 0 DFADRP C[NH+](C)CC1CCC([NH2+]Cc2cc(C(F)(F)F)n[nH]2)CC1 ZINC000440633536 297159899 /nfs/dbraw/zinc/15/98/99/297159899.db2.gz FUKWJARJZSJZOG-UHFFFAOYSA-N 2 0 304.360 2.639 20 0 DFADRP CC[N@@H+]1CC[C@@H]([NH+](C)CCC(=O)N(C)c2ccccc2)C[C@@H]1C ZINC000441150305 297173317 /nfs/dbraw/zinc/17/33/17/297173317.db2.gz CYANHOXCABDTSR-FUHWJXTLSA-N 2 0 317.477 2.844 20 0 DFADRP CCCOc1cccc(C[NH2+]CCN2CC[N@H+](C)C(C)(C)C2)c1 ZINC000441353632 297180717 /nfs/dbraw/zinc/18/07/17/297180717.db2.gz GWRYZCNSHJWEPG-UHFFFAOYSA-N 2 0 319.493 2.591 20 0 DFADRP CN(C)CC[NH+]1CCC(C[NH2+]C2CCC(C(F)F)CC2)CC1 ZINC000442764644 297205010 /nfs/dbraw/zinc/20/50/10/297205010.db2.gz CWKDSAXYGXNDQJ-UHFFFAOYSA-N 2 0 317.468 2.674 20 0 DFADRP CCc1ccc([C@H](C)[NH2+]CCN2CC[N@H+](C)C(C)(C)C2)s1 ZINC000442878681 297209009 /nfs/dbraw/zinc/20/90/09/297209009.db2.gz UJXDKPSLBYLIHG-AWEZNQCLSA-N 2 0 309.523 2.987 20 0 DFADRP C[C@H]([NH2+]CCN1CC[N@H+](C)C(C)(C)C1)C(C)(C)c1ccccc1 ZINC000442878473 297209311 /nfs/dbraw/zinc/20/93/11/297209311.db2.gz YZQBPUHZJQGMBF-KRWDZBQOSA-N 2 0 317.521 2.968 20 0 DFADRP CC[C@@H]([NH2+]CCN1CC[N@H+](C)C(C)(C)C1)c1ccccc1OC ZINC000442875241 297209315 /nfs/dbraw/zinc/20/93/15/297209315.db2.gz NOMASVLBNQXQDZ-QGZVFWFLSA-N 2 0 319.493 2.762 20 0 DFADRP Cn1c2cc(Cl)ccc2nc1C[N@@H+]1CCC[C@H](CC[NH3+])C1 ZINC000442922939 297211271 /nfs/dbraw/zinc/21/12/71/297211271.db2.gz LRARXDGYXHEALE-GFCCVEGCSA-N 2 0 306.841 2.788 20 0 DFADRP CCn1c2ccc(F)cc2nc1C[N@@H+]1CCC[C@H](CC[NH3+])C1 ZINC000443057822 297213865 /nfs/dbraw/zinc/21/38/65/297213865.db2.gz IFHQLRFIZMSJPK-CYBMUJFWSA-N 2 0 304.413 2.756 20 0 DFADRP CC(C)[C@@H](NC(=O)C[N@@H+]1CCC[C@H](CC[NH3+])C1)c1ccccc1 ZINC000443058440 297213940 /nfs/dbraw/zinc/21/39/40/297213940.db2.gz ADHLTNHNOOPUIS-VQIMIIECSA-N 2 0 317.477 2.561 20 0 DFADRP C[C@H](C(=O)Nc1ccc(Cl)cc1)[N@@H+]1CCC[C@H](CC[NH3+])C1 ZINC000443065972 297214850 /nfs/dbraw/zinc/21/48/50/297214850.db2.gz DCBSJTXFBOGJPP-CHWSQXEVSA-N 2 0 309.841 2.728 20 0 DFADRP C[NH+](C)Cc1cccc(C(=O)NCC[N@@H+]2CCCC(C)(C)C2)c1 ZINC000444614969 297241602 /nfs/dbraw/zinc/24/16/02/297241602.db2.gz YPKQHGGJFWFEKX-UHFFFAOYSA-N 2 0 317.477 2.600 20 0 DFADRP COc1cc(C)c(C[NH2+]CC2CC[NH+](C3CC3)CC2)cc1OC ZINC000446884582 297289253 /nfs/dbraw/zinc/28/92/53/297289253.db2.gz PMLBTZXABMBDMG-UHFFFAOYSA-N 2 0 318.461 2.976 20 0 DFADRP CCOC(=O)[C@@H]1CC[C@@H]([NH2+]CC2CC[NH+](C3CC3)CC2)C[C@@H]1C ZINC000446891192 297289678 /nfs/dbraw/zinc/28/96/78/297289678.db2.gz VIGZOGZJMVRQOO-YXJHDRRASA-N 2 0 322.493 2.818 20 0 DFADRP C[NH+](C)Cc1ccsc1C(=O)N1CCC([NH+]2CCCC2)CC1 ZINC000446964894 297291506 /nfs/dbraw/zinc/29/15/06/297291506.db2.gz JLKKYOGFQSACGG-UHFFFAOYSA-N 2 0 321.490 2.510 20 0 DFADRP CC[N@@H+]1CC[C@H]([NH+](C)CCC(=O)Nc2ccc(C)cn2)C[C@H]1C ZINC000447007937 297292813 /nfs/dbraw/zinc/29/28/13/297292813.db2.gz RVKSQZZWDRUIGZ-CVEARBPZSA-N 2 0 318.465 2.523 20 0 DFADRP C[NH+](C)Cc1ccc(-c2noc(C[C@H]3CCCC[C@@H]3[NH3+])n2)cc1 ZINC000448546874 297341733 /nfs/dbraw/zinc/34/17/33/297341733.db2.gz OUAMUIOYPLDKLS-CVEARBPZSA-N 2 0 314.433 2.858 20 0 DFADRP C[C@H]1CN(CC[C@H]2CCC[N@@H+]2C)CC[NH+](Cc2ccccc2)C1 ZINC000448552018 297342388 /nfs/dbraw/zinc/34/23/88/297342388.db2.gz JCOKINCLDFJOIS-AZUAARDMSA-N 2 0 315.505 2.925 20 0 DFADRP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)Cc2cccc3ccoc32)CC1 ZINC000449030648 297393970 /nfs/dbraw/zinc/39/39/70/297393970.db2.gz UVUSXTTVZSDQTK-OAHLLOKOSA-N 2 0 316.445 2.957 20 0 DFADRP CCn1nnc(C)c1C[NH2+]Cc1ccccc1C[NH+](CC)CC ZINC000449068127 297399663 /nfs/dbraw/zinc/39/96/63/297399663.db2.gz REWKLSIXEIANJN-UHFFFAOYSA-N 2 0 315.465 2.738 20 0 DFADRP CC[C@@H]([NH2+]Cc1ccnc(N2CC[NH+](C)CC2)c1)C1CCCC1 ZINC000449081356 297402309 /nfs/dbraw/zinc/40/23/09/297402309.db2.gz DPWRZHHHFOMWJH-GOSISDBHSA-N 2 0 316.493 2.892 20 0 DFADRP C[NH2+][C@H](CC(C)(C)C)C(=O)NC[C@H](c1ccc(C)cc1)[NH+](C)C ZINC000449105039 297406449 /nfs/dbraw/zinc/40/64/49/297406449.db2.gz BVLHHYXXUHUVTM-IAGOWNOFSA-N 2 0 319.493 2.738 20 0 DFADRP CSCC1CCC([NH2+]C[C@@H](O)C[NH+]2CCC(C)CC2)CC1 ZINC000449125861 297409480 /nfs/dbraw/zinc/40/94/80/297409480.db2.gz RWYMQYJWLAVRPW-OFLPRAFFSA-N 2 0 314.539 2.591 20 0 DFADRP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+][C@@H]2CCCC[C@H]2O)CC1 ZINC000449136388 297411316 /nfs/dbraw/zinc/41/13/16/297411316.db2.gz AZAMAEBZGBSEEC-NSISKUIASA-N 2 0 316.489 2.975 20 0 DFADRP CC[NH+]1CCN(CC(C)(C)[NH2+]Cc2ccc(C)c(OC)c2)CC1 ZINC000449745296 297524868 /nfs/dbraw/zinc/52/48/68/297524868.db2.gz MPEACQMDJLLARO-UHFFFAOYSA-N 2 0 319.493 2.509 20 0 DFADRP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CC[NH+](CC2=CCCCC2)CC1 ZINC000450332743 297613482 /nfs/dbraw/zinc/61/34/82/297613482.db2.gz XTTTXURXGKFTDW-QZTJIDSGSA-N 2 0 305.510 2.977 20 0 DFADRP CCCc1ccc2[nH+]ccc(N3CC[NH+](C[C@H](C)O)CC3)c2c1 ZINC000450455698 297634334 /nfs/dbraw/zinc/63/43/34/297634334.db2.gz VLSUAJGQOBHPHD-HNNXBMFYSA-N 2 0 313.445 2.690 20 0 DFADRP C[C@H]([NH2+]CC(=O)NC1CC[NH+](C2CC2)CC1)[C@H]1CCC[C@H](C)C1 ZINC000452066648 297918955 /nfs/dbraw/zinc/91/89/55/297918955.db2.gz LLFLQHVGPRMYCB-JYJNAYRXSA-N 2 0 321.509 2.534 20 0 DFADRP C[C@H](C(=O)N1CCC([NH+]2CCC[C@H]2C)CC1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000125248705 298008458 /nfs/dbraw/zinc/00/84/58/298008458.db2.gz VKOFDANSSPGWMW-WCXIOVBPSA-N 2 0 321.509 2.723 20 0 DFADRP CC[NH+]1CCN([C@H](C)C[NH2+]C2CCc3ccccc3CC2)CC1 ZINC000453069181 298059080 /nfs/dbraw/zinc/05/90/80/298059080.db2.gz YSAMKRBRRRAOAS-QGZVFWFLSA-N 2 0 315.505 2.550 20 0 DFADRP C[C@@H](Cc1cnccn1)[NH2+]CCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000453069890 298059103 /nfs/dbraw/zinc/05/91/03/298059103.db2.gz ZJFJZZHRZNWTIN-BBWFWOEESA-N 2 0 304.482 2.755 20 0 DFADRP C[C@H](CO)C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H]2CCC[C@H]21 ZINC000453087902 298060708 /nfs/dbraw/zinc/06/07/08/298060708.db2.gz JRGDJVVIACUYCE-KANFNMMFSA-N 2 0 302.462 2.648 20 0 DFADRP CC[N@H+](C)Cc1cccc(C[NH2+][C@@H](C)C2(OC)CCOCC2)c1 ZINC000453107858 298062403 /nfs/dbraw/zinc/06/24/03/298062403.db2.gz MRIXJHIODGXGKB-INIZCTEOSA-N 2 0 320.477 2.812 20 0 DFADRP COC1([C@H](C)[NH2+]C2CC[NH+](C3CCCC3)CC2)CCOCC1 ZINC000453132790 298065469 /nfs/dbraw/zinc/06/54/69/298065469.db2.gz MLMLQQVYKDDGGT-HNNXBMFYSA-N 2 0 310.482 2.567 20 0 DFADRP COc1ccc2c(c1)C[C@@H]([NH2+]CC1(C[NH+](C)C)CCCC1)CO2 ZINC000453193925 298070183 /nfs/dbraw/zinc/07/01/83/298070183.db2.gz ITPCUILAMABASV-MRXNPFEDSA-N 2 0 318.461 2.710 20 0 DFADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CCc2ncccc2C)[C@@H](C)C1 ZINC000453306801 298081967 /nfs/dbraw/zinc/08/19/67/298081967.db2.gz JFTKTEZJBNBLOH-PKOBYXMFSA-N 2 0 319.493 2.659 20 0 DFADRP CC[C@H]([NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)[C@H](C)O ZINC000453334794 298084351 /nfs/dbraw/zinc/08/43/51/298084351.db2.gz JVQXCXCFCAMZFR-HZZCBIDNSA-N 2 0 302.462 2.931 20 0 DFADRP CC[C@@H]([NH2+][C@@H](C)c1ccc(OCC[NH+](C)C)cc1)[C@@H](O)CC ZINC000453338871 298085026 /nfs/dbraw/zinc/08/50/26/298085026.db2.gz BFCUESIDVJUWKX-QGTPRVQTSA-N 2 0 308.466 2.827 20 0 DFADRP CC(C)OCCOC1CC[NH+]([C@H]2CC[N@@H+]3CCC[C@H]3C2)CC1 ZINC000453354433 298086746 /nfs/dbraw/zinc/08/67/46/298086746.db2.gz JSCXVVDDUVRRLA-IRXDYDNUSA-N 2 0 310.482 2.519 20 0 DFADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCC1(CO)CC1 ZINC000453366990 298087226 /nfs/dbraw/zinc/08/72/26/298087226.db2.gz WOFRMKCVDUXFBF-AEFFLSMTSA-N 2 0 302.462 2.649 20 0 DFADRP C[N@@H+]1CC[C@H]([NH2+][C@@H]2CCO[C@@H](c3ccccn3)C2)[C@@H]2CCC[C@@H]21 ZINC000453378609 298088038 /nfs/dbraw/zinc/08/80/38/298088038.db2.gz KKXJWYUIRMOFJS-NLPXPOPTSA-N 2 0 315.461 2.764 20 0 DFADRP C[N@H+](CCCC[NH2+]Cc1cn2cc(Cl)ccc2n1)C1CC1 ZINC000453599519 298103374 /nfs/dbraw/zinc/10/33/74/298103374.db2.gz RMWFUBSSLPJNTC-UHFFFAOYSA-N 2 0 306.841 2.952 20 0 DFADRP C[NH+](C)[C@@H]1CCc2cc(NC(=O)CC3CC[NH+](C)CC3)ccc21 ZINC000456272912 298484838 /nfs/dbraw/zinc/48/48/38/298484838.db2.gz LSXCNYUWNZRQAU-GOSISDBHSA-N 2 0 315.461 2.906 20 0 DFADRP CC[N@@H+]1CC[C@@H]([NH+](C)CCCNC(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000496072624 300015437 /nfs/dbraw/zinc/01/54/37/300015437.db2.gz SBBGKGNCBXVACF-LSDHHAIUSA-N 2 0 313.486 2.563 20 0 DFADRP CC(C)[NH+]1CCC([NH2+][C@@H](C)CCNC(=O)OC(C)(C)C)CC1 ZINC000496569435 300081672 /nfs/dbraw/zinc/08/16/72/300081672.db2.gz XJVHPXRJTKBXFW-AWEZNQCLSA-N 2 0 313.486 2.752 20 0 DFADRP C[C@@H](CCCNC(=O)OC(C)(C)C)[NH2+]CCN1CC[C@H](C)C1 ZINC000496582332 300083592 /nfs/dbraw/zinc/08/35/92/300083592.db2.gz JVDRLVSEGAGZOB-GJZGRUSLSA-N 2 0 313.486 2.611 20 0 DFADRP C[C@H]([NH2+]C[C@@]1(C)CCC[NH2+]C1)c1cccc(N2CCOC2=O)c1 ZINC000496965693 300139585 /nfs/dbraw/zinc/13/95/85/300139585.db2.gz WXGFRXZZNHSXOR-KSSFIOAISA-N 2 0 317.433 2.684 20 0 DFADRP O=C1O[C@]2(CN1C[NH+]1CCCCCCCC1)C[NH+]1CCC2CC1 ZINC000497008258 300146654 /nfs/dbraw/zinc/14/66/54/300146654.db2.gz NYADEFPQWZYCFJ-SFHVURJKSA-N 2 0 321.465 2.517 20 0 DFADRP C[N@@H+]1CCC[C@H](CC[NH2+]CC(C)(C)NC(=O)OC(C)(C)C)C1 ZINC000497136237 300167238 /nfs/dbraw/zinc/16/72/38/300167238.db2.gz ZHPLWYVEOHIUHR-CQSZACIVSA-N 2 0 313.486 2.611 20 0 DFADRP C[C@@H]([NH2+]CCc1nc2ccccc2n1C(F)F)[C@H]1CCC[NH2+]C1 ZINC000514667613 300265260 /nfs/dbraw/zinc/26/52/60/300265260.db2.gz AITUUPRQHRTBNH-OLZOCXBDSA-N 2 0 322.403 2.952 20 0 DFADRP O[C@H](C[NH2+]C1CC[NH+](C2CCC2)CC1)Cc1cccc(Cl)c1 ZINC000514856391 300275602 /nfs/dbraw/zinc/27/56/02/300275602.db2.gz FWOCAMXYERJKMV-SFHVURJKSA-N 2 0 322.880 2.850 20 0 DFADRP CC(C)[C@@H]1C[C@@H](Nc2c[nH+]ccc2N2CC[NH+](C)CC2)CS1 ZINC000514903028 300278255 /nfs/dbraw/zinc/27/82/55/300278255.db2.gz LJNFSOJLZCYGHS-PBHICJAKSA-N 2 0 320.506 2.775 20 0 DFADRP FC(F)(F)CN1CC[C@H]([NH2+][C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)C1 ZINC000515053404 300287027 /nfs/dbraw/zinc/28/70/27/300287027.db2.gz YBQXGQGBKKWNDA-ZQDZILKHSA-N 2 0 319.415 2.523 20 0 DFADRP CCc1[nH+]c2ccccc2c(N2C[C@H]3OCC[N@H+](C)[C@@H]3C2)c1C ZINC000515082143 300289545 /nfs/dbraw/zinc/28/95/45/300289545.db2.gz OUCHEIIRMFOUQT-QZTJIDSGSA-N 2 0 311.429 2.625 20 0 DFADRP C[C@H]([NH2+]CC(C)(C)N1CCc2ccccc2C1)[C@H]1CCC[NH2+]C1 ZINC000515634252 300315843 /nfs/dbraw/zinc/31/58/43/300315843.db2.gz UFBXIRNAXHIFPW-WMZOPIPTSA-N 2 0 315.505 2.801 20 0 DFADRP COc1cccc(CC[NH2+][C@@H]2CC[N@H+](C)[C@H]3CCC[C@H]32)c1OC ZINC000516324513 300340124 /nfs/dbraw/zinc/34/01/24/300340124.db2.gz JPDRFVHHCBDHSA-BBWFWOEESA-N 2 0 318.461 2.709 20 0 DFADRP C[C@H](C[NH2+][C@@H]1CCC[C@H]1C[NH3+])c1nc(-c2ccccc2)no1 ZINC000516450507 300342830 /nfs/dbraw/zinc/34/28/30/300342830.db2.gz XOOTWIKPMADSRQ-VHDGCEQUSA-N 2 0 300.406 2.557 20 0 DFADRP C[C@H](C[NH2+][C@H]1CCC[C@H]1C[NH3+])c1nc(-c2ccccc2)no1 ZINC000516450506 300342912 /nfs/dbraw/zinc/34/29/12/300342912.db2.gz XOOTWIKPMADSRQ-SNPRPXQTSA-N 2 0 300.406 2.557 20 0 DFADRP [NH3+][C@H]1CCC[C@H]([NH2+]Cc2ccc(OCC[NH+]3CCCC3)cc2)C1 ZINC000516743574 300358029 /nfs/dbraw/zinc/35/80/29/300358029.db2.gz XDJOCOKMXQJOJH-ROUUACIJSA-N 3 0 317.477 2.521 20 0 DFADRP CC[N@@H+]1CC[C@H](N[C@H]2CC[NH+](Cc3ccccc3)C3(CC3)C2)C1 ZINC000516769167 300359419 /nfs/dbraw/zinc/35/94/19/300359419.db2.gz SPQSPVBMUOUCCZ-OALUTQOASA-N 2 0 313.489 2.867 20 0 DFADRP CCC[NH+]1CCC(C[NH2+]C[C@@H](O)[C@@H](C)c2ccccc2)CC1 ZINC000516922885 300369519 /nfs/dbraw/zinc/36/95/19/300369519.db2.gz UJKNEVSXOYJNHU-QFBILLFUSA-N 2 0 304.478 2.863 20 0 DFADRP CCOC(=O)[C@@H]1CC[C@H]([NH2+]Cc2ccc(C[NH3+])cc2)C[C@@H]1C ZINC000517030034 300378790 /nfs/dbraw/zinc/37/87/90/300378790.db2.gz HKERJQCRSMLALK-RRQGHBQHSA-N 2 0 304.434 2.603 20 0 DFADRP CCOC(=O)[C@@H]1CC[C@@H]([NH2+]Cc2ccc(C[NH3+])cc2)C[C@H]1C ZINC000517030033 300379127 /nfs/dbraw/zinc/37/91/27/300379127.db2.gz HKERJQCRSMLALK-KBRIMQKVSA-N 2 0 304.434 2.603 20 0 DFADRP CCOc1cc2[nH+]ccc(N(C)[C@H]3CC[NH2+]C3)c2cc1OCC ZINC000518144324 300418038 /nfs/dbraw/zinc/41/80/38/300418038.db2.gz TXLPWEVSDHMYNK-ZDUSSCGKSA-N 2 0 315.417 2.830 20 0 DFADRP C[NH+](C)C1CCN(CC[NH2+]Cc2ccc(C(F)F)cc2)CC1 ZINC000527232540 300645333 /nfs/dbraw/zinc/64/53/33/300645333.db2.gz VMDAVZUETJQSLX-UHFFFAOYSA-N 2 0 311.420 2.740 20 0 DFADRP Cc1cc(C[NH+]2CCC(CCC[NH+]3CCOCC3)CC2)ccn1 ZINC000527537365 300658452 /nfs/dbraw/zinc/65/84/52/300658452.db2.gz BKLVGRUHOMGFSS-UHFFFAOYSA-N 2 0 317.477 2.714 20 0 DFADRP C[C@@H]1CCC[C@H]([NH+]2CCC(N[C@@H]3CC[NH2+]C34CCC4)CC2)C1 ZINC000530178746 301026182 /nfs/dbraw/zinc/02/61/82/301026182.db2.gz NLVSRKNJTQMPIN-BPQIPLTHSA-N 2 0 305.510 2.904 20 0 DFADRP C[C@H](CCc1ccc2c(c1)OCO2)[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000530178653 301026354 /nfs/dbraw/zinc/02/63/54/301026354.db2.gz PKNPHRQYZMPUIV-DYVFJYSZSA-N 2 0 302.418 2.611 20 0 DFADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]CCc1cccc2c1OC(F)(F)O2 ZINC000530216212 301029974 /nfs/dbraw/zinc/02/99/74/301029974.db2.gz OAVPBOIGHUSTCT-YPMHNXCESA-N 2 0 312.360 2.528 20 0 DFADRP C[C@H](N[C@@H]1CC[NH2+]C12CCC2)c1ccc(OCC[NH+](C)C)cc1 ZINC000530217032 301030227 /nfs/dbraw/zinc/03/02/27/301030227.db2.gz FKWAADONCAGAAL-MAUKXSAKSA-N 2 0 317.477 2.562 20 0 DFADRP CC[N@H+](C[C@@H](Cc1ccc(F)cc1)OC)[C@@H]1CCC[NH2+]CC1 ZINC000530219446 301031199 /nfs/dbraw/zinc/03/11/99/301031199.db2.gz PPILBSZHYLSLSV-QZTJIDSGSA-N 2 0 308.441 2.847 20 0 DFADRP COc1cccc(C[C@@H]([NH2+][C@@H]2CC[NH2+]C23CCC3)C2CC2)c1 ZINC000530224318 301031929 /nfs/dbraw/zinc/03/19/29/301031929.db2.gz WBVGTOUEAODRRR-QZTJIDSGSA-N 2 0 300.446 2.891 20 0 DFADRP Fc1ccc2c(c1)[C@@H]([NH+]1CCC(CO[C@H]3CC[NH2+]C3)CC1)CC2 ZINC000530239142 301033357 /nfs/dbraw/zinc/03/33/57/301033357.db2.gz DKRVPEDKQWDQTN-HKUYNNGSSA-N 2 0 318.436 2.904 20 0 DFADRP C[C@H](Cc1ccccc1)C[NH+]1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000530248318 301033619 /nfs/dbraw/zinc/03/36/19/301033619.db2.gz IUPMQGIIUVDSPT-XLIONFOSSA-N 2 0 316.489 2.956 20 0 DFADRP CCOc1ccc(C[NH+]2CCC(CO[C@@H]3CC[NH2+]C3)CC2)cc1 ZINC000530249729 301033965 /nfs/dbraw/zinc/03/39/65/301033965.db2.gz YEZOSCCIBPXCGD-LJQANCHMSA-N 2 0 318.461 2.676 20 0 DFADRP C[C@H](O)C[NH+]1CCC(C[N@H+](C)C[C@@H]2CCC3(CCCC3)O2)CC1 ZINC000530463633 301049937 /nfs/dbraw/zinc/04/99/37/301049937.db2.gz PFSYZKKSFSYGET-WMZOPIPTSA-N 2 0 324.509 2.503 20 0 DFADRP CC[NH+](CC)CCC[C@@H](C)[NH2+]C1CCN(c2cnccn2)CC1 ZINC000531680745 301103780 /nfs/dbraw/zinc/10/37/80/301103780.db2.gz PHPLYVSFEJIGME-MRXNPFEDSA-N 2 0 319.497 2.546 20 0 DFADRP COc1cc(C)ccc1[C@@H](C)[NH2+]CCCC[N@@H+]1CCC[C@@H]1CO ZINC000531970033 301122253 /nfs/dbraw/zinc/12/22/53/301122253.db2.gz BAVNPBLWZPZBAM-IAGOWNOFSA-N 2 0 320.477 2.891 20 0 DFADRP COc1cc(C)ccc1[C@H](C)[NH2+]CCCC[NH+]1CCN(C)CC1 ZINC000532195802 301136047 /nfs/dbraw/zinc/13/60/47/301136047.db2.gz IHFUOZMESIHPOR-KRWDZBQOSA-N 2 0 319.493 2.682 20 0 DFADRP C[C@@H](CCC(=O)N(CC[NH+](C)C)CC[NH+](C)C)c1ccccc1 ZINC000532760285 301170645 /nfs/dbraw/zinc/17/06/45/301170645.db2.gz JGCXYUJWUVFXCB-KRWDZBQOSA-N 2 0 319.493 2.522 20 0 DFADRP CO[C@@H](C)c1nc(CN2CC[C@H](c3nccn3C)C2)cs1 ZINC000537705823 301308754 /nfs/dbraw/zinc/30/87/54/301308754.db2.gz IKILJCZPIYTCJP-RYUDHWBXSA-N 2 0 306.435 2.574 20 0 DFADRP CC(C)[C@@H]([NH2+]Cc1ccccc1C[N@@H+]1CC[C@H](O)C1)C1CC1 ZINC000540988415 301380073 /nfs/dbraw/zinc/38/00/73/301380073.db2.gz LFIBUVNANQZTAP-RBUKOAKNSA-N 2 0 302.462 2.777 20 0 DFADRP CC1=CC[C@@H]([NH2+]CC2CC[NH+](CC(=O)NC(C)(C)C)CC2)CC1 ZINC000552002500 301674894 /nfs/dbraw/zinc/67/48/94/301674894.db2.gz OBVICSIIUVLHAJ-QGZVFWFLSA-N 2 0 321.509 2.702 20 0 DFADRP C[C@@H]1C[C@H](NC(=O)NCC[NH2+]C2CCCCCC2)c2nccn21 ZINC000562818192 302005888 /nfs/dbraw/zinc/00/58/88/302005888.db2.gz IQUQRAGLBFKYQY-HIFRSBDPSA-N 2 0 319.453 2.501 20 0 DFADRP COc1ccc(OC2CC[NH+](CC[C@@H]3CCC[NH2+]C3)CC2)cc1 ZINC000562834769 302007556 /nfs/dbraw/zinc/00/75/56/302007556.db2.gz UGCBFNRUZAFKSZ-INIZCTEOSA-N 2 0 318.461 2.928 20 0 DFADRP COC1CC[NH+](C2(CN[C@H]3CCCC[C@@H]3C[NH3+])CCCC2)CC1 ZINC000562959219 302018027 /nfs/dbraw/zinc/01/80/27/302018027.db2.gz IQQBPPBWRAOEBV-AEFFLSMTSA-N 3 0 323.525 2.517 20 0 DFADRP C[C@H]([NH3+])[C@H]1COCC[C@@H]1[NH2+]Cc1ccc(-c2cccnc2)cc1 ZINC000562958943 302018273 /nfs/dbraw/zinc/01/82/73/302018273.db2.gz YOTPTIUQDUFDMB-KYNGSXCRSA-N 2 0 311.429 2.591 20 0 DFADRP CC1CC[NH+](Cc2ccc(CNC(=O)CCCC[NH3+])cc2)CC1 ZINC000563056419 302032117 /nfs/dbraw/zinc/03/21/17/302032117.db2.gz JMDIDRQWRVAHRF-UHFFFAOYSA-N 2 0 317.477 2.664 20 0 DFADRP c1ccc(C[N@H+]2CCC[C@@H]3CN(Cc4cnccn4)CC[C@@H]32)cc1 ZINC000563090965 302036465 /nfs/dbraw/zinc/03/64/65/302036465.db2.gz IIICJVUYZSVDDE-QUCCMNQESA-N 2 0 322.456 2.963 20 0 DFADRP CC[NH+](CC)[C@@H](CNC(=O)[C@H]1C[C@@H]([NH3+])C1)c1ccccc1Cl ZINC000563200274 302048181 /nfs/dbraw/zinc/04/81/81/302048181.db2.gz IAAXALCXSHGQGZ-ZENOOKHLSA-N 2 0 323.868 2.576 20 0 DFADRP [NH3+][C@H]1CCC[C@H]([NH2+]Cc2ccc(N3CCCCCC3)nc2)C1 ZINC000563427316 302071582 /nfs/dbraw/zinc/07/15/82/302071582.db2.gz XODIDMQGVHWFII-IRXDYDNUSA-N 2 0 302.466 2.822 20 0 DFADRP Cc1nc2ccc(CN(CC[NH+](C)C)CC[NH+](C)C)cc2s1 ZINC000564005048 302114051 /nfs/dbraw/zinc/11/40/51/302114051.db2.gz DNRFHYBHFVEDAA-UHFFFAOYSA-N 2 0 320.506 2.530 20 0 DFADRP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]CCc1ccc2c(c1)OCO2 ZINC000564649696 302147092 /nfs/dbraw/zinc/14/70/92/302147092.db2.gz NWJVKVISIDRDCE-YOEHRIQHSA-N 2 0 312.413 2.506 20 0 DFADRP COc1ccc([C@H](C)[C@@H](C)[NH2+]CC2CC[NH2+]CC2)cc1OC ZINC000564791900 302159295 /nfs/dbraw/zinc/15/92/95/302159295.db2.gz YSPZBRKVROFOKL-ZIAGYGMSSA-N 2 0 306.450 2.785 20 0 DFADRP C[C@H]([NH2+]CC1CCN(c2ccccc2)CC1)[C@H]1CCC[NH2+]C1 ZINC000564823386 302161060 /nfs/dbraw/zinc/16/10/60/302161060.db2.gz PNDRAMXIOPEARS-WMZOPIPTSA-N 2 0 301.478 2.881 20 0 DFADRP C[C@H]([NH2+]CC1CCN(c2ccccc2)CC1)[C@@H]1CCC[NH2+]C1 ZINC000564823384 302161353 /nfs/dbraw/zinc/16/13/53/302161353.db2.gz PNDRAMXIOPEARS-FUHWJXTLSA-N 2 0 301.478 2.881 20 0 DFADRP CC(C)[NH2+]CCC(=O)Nc1cccc(CC[NH+]2CCCC2)c1 ZINC000564931685 302175140 /nfs/dbraw/zinc/17/51/40/302175140.db2.gz NGJDSYNTXZQGCH-UHFFFAOYSA-N 2 0 303.450 2.652 20 0 DFADRP C[NH+](C)CCc1ccc(NC(=O)[C@H]2[NH2+]CCc3ccccc32)cc1 ZINC000565028627 302185960 /nfs/dbraw/zinc/18/59/60/302185960.db2.gz LCZAAOSVZBWFIF-IBGZPJMESA-N 2 0 323.440 2.616 20 0 DFADRP CN1CC[C@H]([NH2+][C@@H]2CCC[C@H]([NH3+])C2)[C@H]1c1ccc(Cl)cc1 ZINC000565223991 302209702 /nfs/dbraw/zinc/20/97/02/302209702.db2.gz DYVKKDVNZPDEBP-VVLHAWIVSA-N 2 0 307.869 2.945 20 0 DFADRP Cc1c(F)cccc1NC(=O)CC[NH2+][C@H](C)C1=CC[N@H+](C)CC1 ZINC000565299147 302216241 /nfs/dbraw/zinc/21/62/41/302216241.db2.gz HATMCVSZFMXENL-CQSZACIVSA-N 2 0 319.424 2.703 20 0 DFADRP CC(C)(C)c1cccc(OCC[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3C2)c1 ZINC000565540391 302229211 /nfs/dbraw/zinc/22/92/11/302229211.db2.gz TVWADZVJOAWDBT-HOTGVXAUSA-N 2 0 302.462 2.904 20 0 DFADRP CC[NH+](CC)C[C@H]1CCCC[C@H]1[NH2+]CCCc1cncn1C ZINC000566017423 302253974 /nfs/dbraw/zinc/25/39/74/302253974.db2.gz VVJDSJHGYQDOBJ-SJLPKXTDSA-N 2 0 306.498 2.843 20 0 DFADRP Cc1cccc(NC(=O)C[C@H](C)[NH2+][C@@H](C)[C@H]2CCC[NH2+]C2)c1 ZINC000566087974 302258037 /nfs/dbraw/zinc/25/80/37/302258037.db2.gz IJZCIOSTTMHMEC-JYJNAYRXSA-N 2 0 303.450 2.690 20 0 DFADRP CC1CC[NH+](CCCC[NH2+]CCC(=O)Nc2cccnc2)CC1 ZINC000566106517 302259851 /nfs/dbraw/zinc/25/98/51/302259851.db2.gz SSACUQTXVKDNGZ-UHFFFAOYSA-N 2 0 318.465 2.512 20 0 DFADRP C[C@H]1CCC[N@H+](CCCC[NH2+]C[C@@H](O)Cc2ccc(F)cc2)C1 ZINC000566106170 302260207 /nfs/dbraw/zinc/26/02/07/302260207.db2.gz IXDNPPJPEIFRFB-LPHOPBHVSA-N 2 0 322.468 2.831 20 0 DFADRP Clc1cc(C[NH+]2CCC3(CC[NH2+]C3)CC2)cc2c1OCO2 ZINC000566243160 302269390 /nfs/dbraw/zinc/26/93/90/302269390.db2.gz PNFPLANXJLKOBK-UHFFFAOYSA-N 2 0 308.809 2.644 20 0 DFADRP Cc1ccccc1N1CC[NH+](Cc2ccc3c(c2)C[NH2+]CC3)CC1 ZINC000566352112 302282110 /nfs/dbraw/zinc/28/21/10/302282110.db2.gz WLLQJQZRDSFSJT-UHFFFAOYSA-N 2 0 321.468 2.963 20 0 DFADRP Oc1cccnc1C[N@@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000566535143 302293236 /nfs/dbraw/zinc/29/32/36/302293236.db2.gz VICQCUXWUWFCDX-ROUUACIJSA-N 2 0 323.440 2.741 20 0 DFADRP COCCCOc1ccc(C[NH2+][C@H](C)[C@@H]2CCC[NH2+]C2)cc1 ZINC000566555758 302294887 /nfs/dbraw/zinc/29/48/87/302294887.db2.gz XIBMGYPORGKPPU-NVXWUHKLSA-N 2 0 306.450 2.580 20 0 DFADRP C[C@@H](CC[NH+](C)C)[NH2+]C[C@@H](O)Cc1ccc2ccccc2c1 ZINC000566615377 302298962 /nfs/dbraw/zinc/29/89/62/302298962.db2.gz IKWDZLUQZNTHPO-KXBFYZLASA-N 2 0 300.446 2.673 20 0 DFADRP Cc1ccc(NC(=O)CC[NH2+]C2CC[NH+](C(C)(C)C)CC2)nc1 ZINC000566772663 302310201 /nfs/dbraw/zinc/31/02/01/302310201.db2.gz PIBRRNCFCMQDSD-UHFFFAOYSA-N 2 0 318.465 2.571 20 0 DFADRP C[N@H+](CCC(=O)N1CC[C@]2(C1)CCC[NH+](C)C2)C1CCCCC1 ZINC000567263539 302345881 /nfs/dbraw/zinc/34/58/81/302345881.db2.gz DZXDFMOJIRUQQG-LJQANCHMSA-N 2 0 321.509 2.585 20 0 DFADRP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+]CCn1c2ccccc2[nH]c1=O ZINC000567333285 302350339 /nfs/dbraw/zinc/35/03/39/302350339.db2.gz AYCYQQZAIHWMJO-HUUCEWRRSA-N 2 0 316.449 2.642 20 0 DFADRP C[C@@H]([NH2+]CCc1cccc(C(F)(F)F)n1)[C@@H]1CCC[NH2+]C1 ZINC000567490148 302363997 /nfs/dbraw/zinc/36/39/97/302363997.db2.gz VVCTVFRSGZHEJQ-VXGBXAGGSA-N 2 0 301.356 2.621 20 0 DFADRP CC(C)[N@H+](C)CC1CCN(C(=O)C[C@H](C)C2CC[NH2+]CC2)CC1 ZINC000567497173 302364231 /nfs/dbraw/zinc/36/42/31/302364231.db2.gz JEZSVMCYLARHDQ-INIZCTEOSA-N 2 0 323.525 2.591 20 0 DFADRP COC[C@@]1(CN[C@@H](C)c2ccc(Cl)c(F)c2)CCC[NH2+]1 ZINC000567580242 302369848 /nfs/dbraw/zinc/36/98/48/302369848.db2.gz JRNGGWOCSMWUCW-NHYWBVRUSA-N 2 0 300.805 2.898 20 0 DFADRP COc1cc2[nH+]ccc(N(C)CCC[NH3+])c2cc1Br ZINC000567605559 302372482 /nfs/dbraw/zinc/37/24/82/302372482.db2.gz ZSJCLUJMPZMWQZ-UHFFFAOYSA-N 2 0 324.222 2.791 20 0 DFADRP Fc1ccc([C@@H]([NH2+]CCC2=CC[NH2+]CC2)c2ncc[nH]2)cc1 ZINC000567652911 302376649 /nfs/dbraw/zinc/37/66/49/302376649.db2.gz NHGWLYWKTMIBPA-MRXNPFEDSA-N 2 0 300.381 2.538 20 0 DFADRP O[C@H](C[NH2+]Cc1ccccc1C[NH+]1CCCC1)Cc1ccccc1 ZINC000567679947 302379076 /nfs/dbraw/zinc/37/90/76/302379076.db2.gz JXQUIMSKNSQKCW-NRFANRHFSA-N 2 0 324.468 2.976 20 0 DFADRP C[N@H+](C[C@H](O)[C@@H]([NH3+])Cc1ccccc1)[C@H]1CCCc2ccccc21 ZINC000567897022 302397409 /nfs/dbraw/zinc/39/74/09/302397409.db2.gz UJJOYERGEYBLAC-ACRUOGEOSA-N 2 0 324.468 2.927 20 0 DFADRP C[C@@H]1CC[N@H+](C[C@H](O)[C@@H]([NH3+])Cc2ccccc2)[C@@H]2CCCC[C@H]12 ZINC000567897400 302397635 /nfs/dbraw/zinc/39/76/35/302397635.db2.gz FDFDEMDZKXVULK-PKOFMYQESA-N 2 0 316.489 2.818 20 0 DFADRP C[NH+](C)CCOc1cc(C[NH2+]Cc2ccc3[nH]ccc3c2)ccn1 ZINC000568768310 302477135 /nfs/dbraw/zinc/47/71/35/302477135.db2.gz NJTBMNQSLQOUEU-UHFFFAOYSA-N 2 0 324.428 2.793 20 0 DFADRP C[NH+](C)Cc1ccc(NC(=O)[C@@]2(c3ccccc3)CC[NH2+]C2)cc1 ZINC000568877755 302480872 /nfs/dbraw/zinc/48/08/72/302480872.db2.gz XLLMYVRIKGWNCW-FQEVSTJZSA-N 2 0 323.440 2.618 20 0 DFADRP C[NH+](C)[C@H](CNC(=O)Nc1ccc2c(c1)C[NH2+]C2)c1ccccc1 ZINC000569084968 302497627 /nfs/dbraw/zinc/49/76/27/302497627.db2.gz NGKKFSXGXOXPOG-GOSISDBHSA-N 2 0 324.428 2.714 20 0 DFADRP COc1cccc(N2CC[C@H](C[NH2+][C@H]3CCCCC[C@H]3[NH3+])C2)c1 ZINC000572111624 302643441 /nfs/dbraw/zinc/64/34/41/302643441.db2.gz MSDDEFMLQWJCDE-LZQZEXGQSA-N 2 0 317.477 2.771 20 0 DFADRP CC[NH+](CC)[C@@H](CNC(=O)[C@H]1CCCCC[NH2+]1)c1ccsc1 ZINC000572123278 302644462 /nfs/dbraw/zinc/64/44/62/302644462.db2.gz HFWWBAZFAWVHPQ-CVEARBPZSA-N 2 0 323.506 2.779 20 0 DFADRP COCC1(C[NH2+][C@@H]2CCc3c2cccc3Cl)CC[NH2+]CC1 ZINC000572833016 302681554 /nfs/dbraw/zinc/68/15/54/302681554.db2.gz XUUAVEZBLLNHJG-MRXNPFEDSA-N 2 0 308.853 2.933 20 0 DFADRP CCC[NH+]1CCC(C[NH2+]CCC(=O)Nc2cccc(F)c2)CC1 ZINC000573676740 302716968 /nfs/dbraw/zinc/71/69/68/302716968.db2.gz ONSPKLHKPJRGNJ-UHFFFAOYSA-N 2 0 321.440 2.866 20 0 DFADRP Cc1cc(C[NH3+])cc(NC(=O)NC2CC([NH+]3CCCCC3)C2)c1 ZINC000574192355 302746003 /nfs/dbraw/zinc/74/60/03/302746003.db2.gz YFZCXPGRCVICTH-UHFFFAOYSA-N 2 0 316.449 2.592 20 0 DFADRP [NH3+][C@H]1CCC[C@@H](C(=O)NCC2([NH+]3CCCCC3)CCCCC2)C1 ZINC000238012546 303484073 /nfs/dbraw/zinc/48/40/73/303484073.db2.gz FVBVXEHDUGUHLC-SJORKVTESA-N 2 0 321.509 2.809 20 0 DFADRP O=C(NCCCCC[NH+]1CCCCC1)[C@]12C[NH2+]C[C@H]1CCCC2 ZINC000357242445 303765657 /nfs/dbraw/zinc/76/56/57/303765657.db2.gz OPCLBKSRJVWCIL-IEBWSBKVSA-N 2 0 321.509 2.539 20 0 DFADRP C[C@H](CCNC(=O)[C@H](C)[NH+]1CCCCCC1)[NH+]1CCCCC1 ZINC000182224294 316091096 /nfs/dbraw/zinc/09/10/96/316091096.db2.gz GVQJBTSHOKOWFW-SJORKVTESA-N 2 0 309.498 2.632 20 0 DFADRP COc1ccc(C[C@H](C)C[N@@H+]2CC[C@H](C[NH+](C)C)C2)cc1F ZINC000185321964 316185845 /nfs/dbraw/zinc/18/58/45/316185845.db2.gz XAMPAJWHTRDVGC-GOEBONIOSA-N 2 0 308.441 2.896 20 0 DFADRP CC[NH+](CC)Cc1ccc(CNC(=O)CC[NH2+]C(C)C)cc1 ZINC000315279826 316242462 /nfs/dbraw/zinc/24/24/62/316242462.db2.gz MBCDRVVWHBAARA-UHFFFAOYSA-N 2 0 305.466 2.533 20 0 DFADRP CC(=O)Nc1ccc(CN2CCCC[C@@H]2[C@H]2CCC[NH2+]2)cc1 ZINC000316328673 316245021 /nfs/dbraw/zinc/24/50/21/316245021.db2.gz BSHXBJDCWMSBAJ-QZTJIDSGSA-N 2 0 301.434 2.752 20 0 DFADRP CC[NH+](CC)Cc1ccc(CNC(=O)C[C@@H]2CCC[NH2+]C2)cc1 ZINC000320434582 316254137 /nfs/dbraw/zinc/25/41/37/316254137.db2.gz HNVHWHSIKARGKM-SFHVURJKSA-N 2 0 317.477 2.534 20 0 DFADRP C[C@H]1C[C@@H](N[C@H]2CC[NH+](C)C[C@H]2C)C[N@@H+]1Cc1ccccc1 ZINC000336716894 316299652 /nfs/dbraw/zinc/29/96/52/316299652.db2.gz QATZONVTLWUPIX-JFRXWTBNSA-N 2 0 301.478 2.579 20 0 DFADRP CC[C@@H]([NH2+]CCC[N@@H+]1CCC[C@@H](C(N)=O)C1)c1ccc(C)cc1 ZINC000346111991 316318150 /nfs/dbraw/zinc/31/81/50/316318150.db2.gz VIYSMWFFIOBIBP-QZTJIDSGSA-N 2 0 317.477 2.623 20 0 DFADRP Cc1ccc([C@@H](C)[NH2+]CCC[N@@H+]2CCC[C@@H](C(N)=O)C2)c(C)c1 ZINC000346104209 316318219 /nfs/dbraw/zinc/31/82/19/316318219.db2.gz QJBZLNYGZYMPEQ-IAGOWNOFSA-N 2 0 317.477 2.541 20 0 DFADRP C[C@@H](C[NH3+])c1nc(-c2cccc(C[NH+]3CCCCC3)c2)no1 ZINC000414629027 316636247 /nfs/dbraw/zinc/63/62/47/316636247.db2.gz TTXPNKPSVWROAH-ZDUSSCGKSA-N 2 0 300.406 2.785 20 0 DFADRP C[C@@H]1C[C@H](C[NH+]2CCC(NC(=O)C3CCCCC3)CC2)CC[NH2+]1 ZINC000414737730 316644112 /nfs/dbraw/zinc/64/41/12/316644112.db2.gz DLNSBSZKQXNSOR-HZPDHXFCSA-N 2 0 321.509 2.535 20 0 DFADRP Cn1c2ccc(Cl)cc2nc1C[NH2+][C@@H]1CCCC[C@H]1C[NH3+] ZINC000414798484 316661913 /nfs/dbraw/zinc/66/19/13/316661913.db2.gz JIAAXOJHDUCAMA-WCQYABFASA-N 2 0 306.841 2.834 20 0 DFADRP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]Cc1ccc(Br)c(F)c1 ZINC000414811862 316665188 /nfs/dbraw/zinc/66/51/88/316665188.db2.gz WTYQGSZVXPHGIL-GWCFXTLKSA-N 2 0 301.203 2.805 20 0 DFADRP CC(C)[C@H]1CC[C@@H](C)C[C@H]1NC(=O)CCC[NH+]1CCC([NH3+])CC1 ZINC000433112817 316877317 /nfs/dbraw/zinc/87/73/17/316877317.db2.gz CGLZLXNREMGGLZ-KBAYOESNSA-N 2 0 323.525 2.767 20 0 DFADRP CC[NH+](CC)CCN(Cc1ccccc1)C(=O)[C@@H](C[NH3+])C(C)C ZINC000433147098 316881573 /nfs/dbraw/zinc/88/15/73/316881573.db2.gz MYTZAFGWZACJGA-SFHVURJKSA-N 2 0 319.493 2.588 20 0 DFADRP CC[C@H]([NH2+]C1CC[NH+]([C@@H](C)Cc2ccccc2)CC1)[C@@H](C)O ZINC000449541684 317039537 /nfs/dbraw/zinc/03/95/37/317039537.db2.gz KSYVWGQPZDLEBA-FCEWJHQRSA-N 2 0 304.478 2.831 20 0 DFADRP CC[NH+](CC)[C@H](C(=O)NC[C@@H]1CCC[C@@H]([NH3+])C1)c1ccccc1 ZINC000449643194 317046659 /nfs/dbraw/zinc/04/66/59/317046659.db2.gz HROZYSQAHCMUBY-NXHRZFHOSA-N 2 0 317.477 2.703 20 0 DFADRP CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCCC[NH+]2C2CCCC2)C1 ZINC000450097937 317059210 /nfs/dbraw/zinc/05/92/10/317059210.db2.gz RQZDFGOLPGDWOI-KBAYOESNSA-N 2 0 321.509 2.628 20 0 DFADRP C[C@H](c1ccccc1)[C@@H](O)C[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000450432377 317092273 /nfs/dbraw/zinc/09/22/73/317092273.db2.gz ABXLSCUWAZCRCW-HBFSDRIKSA-N 2 0 316.489 2.959 20 0 DFADRP C[N@H+](CCC[NH+]1CCCCC1)C1CCN(CC(F)(F)F)CC1 ZINC000452027685 317118039 /nfs/dbraw/zinc/11/80/39/317118039.db2.gz ASWIMDMAYHTMKI-UHFFFAOYSA-N 2 0 321.431 2.821 20 0 DFADRP CC(C)[C@H](C[NH2+][C@@H](C1CC1)C1CCCC1)N1CC[NH+](C)CC1 ZINC000453067472 317158988 /nfs/dbraw/zinc/15/89/88/317158988.db2.gz ANDVBYCRIVTQFQ-RBUKOAKNSA-N 2 0 307.526 2.817 20 0 DFADRP CCC[C@H]([NH2+]C[C@@H](O)CN1CCc2ccccc2C1)C1CCC1 ZINC000453088979 317160386 /nfs/dbraw/zinc/16/03/86/317160386.db2.gz QMBLRDHYIRAUIJ-UXHICEINSA-N 2 0 316.489 2.964 20 0 DFADRP c1cnn(CC[NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@H]3CCC[C@H]32)c1 ZINC000453140545 317164992 /nfs/dbraw/zinc/16/49/92/317164992.db2.gz QJFRVCIJTWABMX-UFYCRDLUSA-N 2 0 324.472 2.916 20 0 DFADRP COc1ccc2c(c1)C[C@@H]([NH2+]CC(C)(C)C[NH+]1CCCC1)CO2 ZINC000453206074 317169807 /nfs/dbraw/zinc/16/98/07/317169807.db2.gz HNVHJTSHNKXAEZ-MRXNPFEDSA-N 2 0 318.461 2.710 20 0 DFADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]C[C@](C)(CC)OC)[C@@H](C)C1 ZINC000453290004 317176841 /nfs/dbraw/zinc/17/68/41/317176841.db2.gz ABUCZYRDZOCVHL-ULQDDVLXSA-N 2 0 300.487 2.528 20 0 DFADRP CNC(=O)C[C@@H](C)[NH2+]C1CCC([N@H+](C)Cc2ccccc2)CC1 ZINC000453383526 317181282 /nfs/dbraw/zinc/18/12/82/317181282.db2.gz SUPFKGCWWQBUQK-FAEJEUNOSA-N 2 0 317.477 2.544 20 0 DFADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@@H](O)C1CCC1 ZINC000453370077 317181633 /nfs/dbraw/zinc/18/16/33/317181633.db2.gz FKMVMLULXCJOBF-ATZDWAIDSA-N 2 0 302.462 2.648 20 0 DFADRP C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)N1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC000456705638 317244833 /nfs/dbraw/zinc/24/48/33/317244833.db2.gz IHAZKHGFVBRMFM-CVEARBPZSA-N 2 0 323.525 2.543 20 0 DFADRP CCO[C@@H]1C[C@H]([NH2+]CCC[N@@H+]2CCCC[C@H]2C)[C@@H]1SC ZINC000459367695 317322812 /nfs/dbraw/zinc/32/28/12/317322812.db2.gz BVNWLERQTYLERZ-QXSJWSMHSA-N 2 0 300.512 2.750 20 0 DFADRP CCCCOCC[N@@H+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000471025595 317333074 /nfs/dbraw/zinc/33/30/74/317333074.db2.gz NMJYCVIQIYZSLB-KDURUIRLSA-N 2 0 302.462 2.867 20 0 DFADRP CC(C)(C)[C@H]1C[C@@H]([NH2+]CCCC[NH+]2CCOCC2)CS1 ZINC000488449756 317394367 /nfs/dbraw/zinc/39/43/67/317394367.db2.gz OUPNPIVPQFSANV-HUUCEWRRSA-N 2 0 300.512 2.609 20 0 DFADRP CC[NH+](CC)CCOc1ccccc1C[NH2+][C@H]1CCC[C@@H]([NH3+])C1 ZINC000514738827 317708963 /nfs/dbraw/zinc/70/89/63/317708963.db2.gz LAQVJVLLTARRMD-MSOLQXFVSA-N 3 0 319.493 2.767 20 0 DFADRP C[C@H](c1ccccc1F)[NH+]1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000530240951 317778020 /nfs/dbraw/zinc/77/80/20/317778020.db2.gz OGOHVFNXZRJIOL-GDBMZVCRSA-N 2 0 306.425 2.977 20 0 DFADRP Cc1c([C@@H](C)[NH2+]CC2CC[NH2+]CC2)cnn1-c1ccc(F)cc1 ZINC000571394913 317983218 /nfs/dbraw/zinc/98/32/18/317983218.db2.gz XUUOSCQCWCXCBS-CYBMUJFWSA-N 2 0 316.424 2.970 20 0 DFADRP CC[C@H](Cc1ccc(OC)c(OC)c1)[NH2+]CC1CC[NH2+]CC1 ZINC000571872930 317993798 /nfs/dbraw/zinc/99/37/98/317993798.db2.gz QTFMMFTWJVFEPP-MRXNPFEDSA-N 2 0 306.450 2.614 20 0 DFADRP C[C@@H](C[C@H]1CCCCC[NH2+]1)[NH2+]CCc1ccc2c(c1)OCO2 ZINC000574799923 318041049 /nfs/dbraw/zinc/04/10/49/318041049.db2.gz VZVLDAIIESUDOL-GOEBONIOSA-N 2 0 304.434 2.858 20 0 DFADRP COc1cncc(/C=C\CC[N@@H+]2CC[C@]3(CC[NH+](C)C3)C2)c1 ZINC000575744556 318080437 /nfs/dbraw/zinc/08/04/37/318080437.db2.gz CPEFKQWFXREJOG-AJNOYIKESA-N 2 0 301.434 2.521 20 0 DFADRP COc1ccc(C[C@H](C)C[NH2+][C@H]2CCC[C@@H]([NH3+])C2)cc1OC ZINC000575761854 318082034 /nfs/dbraw/zinc/08/20/34/318082034.db2.gz FUMFHMWBJUZGFM-IMJJTQAJSA-N 2 0 306.450 2.742 20 0 DFADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]Cc1cccc(-n2cncn2)c1 ZINC000576010249 318098449 /nfs/dbraw/zinc/09/84/49/318098449.db2.gz YFWBHISHBFTUFS-WBVHZDCISA-N 2 0 313.449 2.668 20 0 DFADRP CC[N@H+](C)[C@H](C(=O)NCC1CC[NH+](CC)CC1)c1ccccc1 ZINC000576377001 318122556 /nfs/dbraw/zinc/12/25/56/318122556.db2.gz NPGMQEMAIIMHRX-SFHVURJKSA-N 2 0 317.477 2.528 20 0 DFADRP C[NH+](C)CCOc1cccc(C[NH2+]C[C@@H](O)C2CCCCC2)c1 ZINC000576749509 318147506 /nfs/dbraw/zinc/14/75/06/318147506.db2.gz QRHKUAPNUZZUED-LJQANCHMSA-N 2 0 320.477 2.658 20 0 DFADRP O=C([C@H]1CCCCC[NH2+]1)N1CCC[N@H+](CC2CCCCC2)CC1 ZINC000576877737 318156270 /nfs/dbraw/zinc/15/62/70/318156270.db2.gz IJJNWOMCZPZAJL-GOSISDBHSA-N 2 0 321.509 2.633 20 0 DFADRP COc1cc2c(c(C[NH+]3CCC(CC[NH3+])CC3)c1)O[C@H](C)C2 ZINC000576948332 318161727 /nfs/dbraw/zinc/16/17/27/318161727.db2.gz UDLFBEKPHHZIAY-CYBMUJFWSA-N 2 0 304.434 2.579 20 0 DFADRP c1cc2c(cc1CN1CCC[N@@H+](C3CCCC3)CC1)C[NH2+]CC2 ZINC000577499164 318197545 /nfs/dbraw/zinc/19/75/45/318197545.db2.gz MYDQOWWNRCVDKF-UHFFFAOYSA-N 2 0 313.489 2.783 20 0 DFADRP [NH3+][C@@H]1CCC[C@@H]([NH2+]Cc2ccc(COC3CCOCC3)cc2)C1 ZINC000577527784 318199764 /nfs/dbraw/zinc/19/97/64/318199764.db2.gz BYYJVPKLLIQUKP-QZTJIDSGSA-N 2 0 318.461 2.742 20 0 DFADRP C[C@H](C[NH2+][C@H]1CC[NH2+]CC[C@@H]1C)c1nc(-c2ccccc2)no1 ZINC000577740105 318213888 /nfs/dbraw/zinc/21/38/88/318213888.db2.gz GOZONXDGSVOFHU-LZWOXQAQSA-N 2 0 314.433 2.818 20 0 DFADRP C[C@@H](NCc1nnc(C2CC[NH2+]CC2)[nH]1)c1ccccc1Cl ZINC000577741035 318214423 /nfs/dbraw/zinc/21/44/23/318214423.db2.gz TUBNBNJUKLCWNQ-LLVKDONJSA-N 2 0 319.840 2.776 20 0 DFADRP COc1ccc(C[NH2+]CCCC[NH+]2C[C@H](C)O[C@@H](C)C2)c(F)c1 ZINC000577856170 318222058 /nfs/dbraw/zinc/22/20/58/318222058.db2.gz PMUYRTOEIDNUFD-GJZGRUSLSA-N 2 0 324.440 2.813 20 0 DFADRP CC1CC[NH+]([C@@H](CNC(=O)CCCC[NH3+])c2ccccc2)CC1 ZINC000577865194 318223100 /nfs/dbraw/zinc/22/31/00/318223100.db2.gz LWVBKWDOJIMDBH-SFHVURJKSA-N 2 0 317.477 2.705 20 0 DFADRP C[N@@H+]1CCCC[C@@H]1CCC(=O)Nc1ccc2c(c1)C[NH2+]CC2 ZINC000577951723 318228205 /nfs/dbraw/zinc/22/82/05/318228205.db2.gz MUGCWWJTJXIIMB-QGZVFWFLSA-N 2 0 301.434 2.535 20 0 DFADRP Cc1c(F)cccc1NC(=O)CC[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000578127548 318239537 /nfs/dbraw/zinc/23/95/37/318239537.db2.gz CVJYNZLMWIKZCM-OCCSQVGLSA-N 2 0 307.413 2.535 20 0 DFADRP CC(C)OC(=O)C[C@H]([NH2+][C@H]1CCC[C@H]([NH3+])C1)c1ccccc1 ZINC000578206479 318245031 /nfs/dbraw/zinc/24/50/31/318245031.db2.gz UEJRCUGAGCGNNL-ULQDDVLXSA-N 2 0 304.434 2.929 20 0 DFADRP CC(C)C[N@@H+]1CCC[C@H](C[NH2+]C[C@H](O)Cc2ccc(F)cc2)C1 ZINC000578232249 318246793 /nfs/dbraw/zinc/24/67/93/318246793.db2.gz MVSHZASUQCKIRB-IEBWSBKVSA-N 2 0 322.468 2.687 20 0 DFADRP Cc1ccccc1[C@@H](C)NC(=O)[C@@H](C)[NH+]1CCC(CC[NH3+])CC1 ZINC000578329718 318253901 /nfs/dbraw/zinc/25/39/01/318253901.db2.gz LJKIKCJPLHOZKM-HZPDHXFCSA-N 2 0 317.477 2.622 20 0 DFADRP C[C@H]([NH2+][C@H](c1ccc2c(c1)OCCO2)C1CC1)[C@@H]1CCC[NH2+]C1 ZINC000578638326 318274654 /nfs/dbraw/zinc/27/46/54/318274654.db2.gz VOSPCZCRCCISKN-CRFBAAHOSA-N 2 0 316.445 2.887 20 0 DFADRP C[C@@H]1C[C@@H]([NH3+])CC[N@@H+]1CCc1nc(-c2cccc(Cl)c2)no1 ZINC000578663682 318276969 /nfs/dbraw/zinc/27/69/69/318276969.db2.gz JHRHFVJVGHDDMN-RISCZKNCSA-N 2 0 320.824 2.744 20 0 DFADRP C[C@H]1C[C@@H]([NH3+])CC[N@@H+]1CCc1nc(-c2cccc(Cl)c2)no1 ZINC000578663681 318277006 /nfs/dbraw/zinc/27/70/06/318277006.db2.gz JHRHFVJVGHDDMN-FZMZJTMJSA-N 2 0 320.824 2.744 20 0 DFADRP CC(C)C[N@@H+]1Cc2cccc(NC(=O)C[NH+]3CC[C@@H](C)C3)c2C1 ZINC000579128043 318309553 /nfs/dbraw/zinc/30/95/53/318309553.db2.gz ICZIUYFXMPMTTM-OAHLLOKOSA-N 2 0 315.461 2.939 20 0 DFADRP [NH3+]C[C@H]1CCCC[C@H]1[NH2+]Cc1ccc(OCC(F)(F)F)nc1 ZINC000579225112 318315344 /nfs/dbraw/zinc/31/53/44/318315344.db2.gz DWTKZNGDHFFCHI-CHWSQXEVSA-N 2 0 317.355 2.630 20 0 DFADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccc(OCC(F)(F)F)nc1 ZINC000579225115 318315376 /nfs/dbraw/zinc/31/53/76/318315376.db2.gz DWTKZNGDHFFCHI-STQMWFEESA-N 2 0 317.355 2.630 20 0 DFADRP C[C@H]([NH2+]CC1(c2ccccc2)CCOCC1)[C@H]1CCC[NH2+]C1 ZINC000579341987 318323393 /nfs/dbraw/zinc/32/33/93/318323393.db2.gz IKMRMUKRLQQZCG-IRXDYDNUSA-N 2 0 302.462 2.713 20 0 DFADRP C[C@@H]([NH2+]CCOc1ccc(F)c(Cl)c1)[C@H]1CCC[NH2+]C1 ZINC000579342062 318323528 /nfs/dbraw/zinc/32/35/28/318323528.db2.gz TTZRJIGCLQFYMH-NEPJUHHUSA-N 2 0 300.805 2.836 20 0 DFADRP CCOC(=O)[C@@H]1CC[C@H]([NH2+]C[C@@H]2CC[N@@H+](C(C)C)C2)C[C@H]1C ZINC000579577878 318339899 /nfs/dbraw/zinc/33/98/99/318339899.db2.gz PSIWQQZCUDIDHW-LTIDMASMSA-N 2 0 310.482 2.674 20 0 DFADRP Cc1c(Cl)cccc1NC(=O)CC[NH2+][C@@H]1CCC[C@H]([NH3+])C1 ZINC000579613343 318343597 /nfs/dbraw/zinc/34/35/97/318343597.db2.gz MCBPVFUYNZPOOI-QWHCGFSZSA-N 2 0 309.841 2.837 20 0 DFADRP O[C@H]1CC[N@H+](Cc2ccccc2C[NH2+][C@@H]2CCCC23CC3)C1 ZINC000579733023 318351544 /nfs/dbraw/zinc/35/15/44/318351544.db2.gz HELZCHWWDZAYBD-ZWKOTPCHSA-N 2 0 300.446 2.676 20 0 DFADRP Cc1ncc2c(n1)CC[C@H]([NH2+][C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1)C2 ZINC000579825102 318356447 /nfs/dbraw/zinc/35/64/47/318356447.db2.gz MDCQGHIMNCHACH-PBWTXFEYSA-N 2 0 314.477 2.543 20 0 DFADRP C[NH+](C)CCN(CC[NH+](C)C)Cc1cccc(Cl)c1Cl ZINC000580128898 318377594 /nfs/dbraw/zinc/37/75/94/318377594.db2.gz BCYRHIAIYAYTGE-UHFFFAOYSA-N 2 0 318.292 2.919 20 0 DFADRP C[C@@H]1C[C@H]([NH2+]C2CCC([NH3+])CC2)CCN1Cc1ccccc1 ZINC000379634086 323290468 /nfs/dbraw/zinc/29/04/68/323290468.db2.gz PILJVLLAVHGBLR-JYPHPWERSA-N 2 0 301.478 2.899 20 0 DFADRP C[C@@H]1C[C@@H]([NH2+]CC2CC[NH2+]CC2)CCN1Cc1ccccc1 ZINC000379637920 323290979 /nfs/dbraw/zinc/29/09/79/323290979.db2.gz TUDAUJFPICWEHO-APWZRJJASA-N 2 0 301.478 2.629 20 0 DFADRP CCOC[C@H](C)[NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]12 ZINC000381784852 323295967 /nfs/dbraw/zinc/29/59/67/323295967.db2.gz HDJWJYCCVOSJKY-WZGPROSRSA-N 2 0 302.462 2.912 20 0 DFADRP CC1(C)C[N@H+](CC[C@H]2CC[NH2+]C2)CCN1Cc1ccccc1 ZINC000382728636 323301065 /nfs/dbraw/zinc/30/10/65/323301065.db2.gz XSTSPTATTCHXOX-QGZVFWFLSA-N 2 0 301.478 2.582 20 0 DFADRP c1ccc(C[N@H+]2C[C@@H]3CC[C@H](NCCC[NH2+]C4CC4)[C@H]3C2)cc1 ZINC000382579257 323301164 /nfs/dbraw/zinc/30/11/64/323301164.db2.gz DVJJLQKJZVIVCP-IHPCNDPISA-N 2 0 313.489 2.629 20 0 DFADRP c1ccc(C[N@H+]2C[C@@H]3CC[C@@H](NCCC[NH2+]C4CC4)[C@@H]3C2)cc1 ZINC000382579256 323301311 /nfs/dbraw/zinc/30/13/11/323301311.db2.gz DVJJLQKJZVIVCP-DFQSSKMNSA-N 2 0 313.489 2.629 20 0 DFADRP C[C@@H]1C[C@H](C[N@@H+]2CCN(Cc3ccccc3)C[C@@H]2C)CC[NH2+]1 ZINC000382744602 323302579 /nfs/dbraw/zinc/30/25/79/323302579.db2.gz REOBLROIOFHMAJ-ZIFCJYIRSA-N 2 0 301.478 2.581 20 0 DFADRP C[C@H](N[C@H]1CCC[N@H+](Cc2ccccc2)C1)[C@H]1CCCC[NH2+]1 ZINC000386573010 323320093 /nfs/dbraw/zinc/32/00/93/323320093.db2.gz MHHPGCXAJBCADQ-YTQUADARSA-N 2 0 301.478 2.771 20 0 DFADRP CN(CC[NH2+][C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1)Cc1ccccc1 ZINC000386870331 323321112 /nfs/dbraw/zinc/32/11/12/323321112.db2.gz KSICQLZDDBXMDB-GUDVDZBRSA-N 2 0 301.478 2.629 20 0 DFADRP CCN(C(=O)OC(C)(C)C)[C@H](C)C[NH2+][C@H]1CC[N@H+](C)C[C@@H]1C ZINC000387462874 323324605 /nfs/dbraw/zinc/32/46/05/323324605.db2.gz QIOYOEDOAPAPSC-ZNMIVQPWSA-N 2 0 313.486 2.562 20 0 DFADRP COc1cc2c(cc1C[N@@H+]1C[C@@H]3CCC[C@H]([NH3+])[C@H]3C1)O[C@H](C)C2 ZINC000391512674 323346145 /nfs/dbraw/zinc/34/61/45/323346145.db2.gz QOQPXIRWSWIBPZ-OQUILHJVSA-N 2 0 316.445 2.578 20 0 DFADRP [NH3+]C[C@@H](C(=O)Nc1ccc(C[NH+]2CCCC2)cc1)c1ccccc1 ZINC000392138555 323348192 /nfs/dbraw/zinc/34/81/92/323348192.db2.gz CBAYGBPQLVKTPJ-LJQANCHMSA-N 2 0 323.440 2.963 20 0 DFADRP CN(C)C1(C[NH2+]C2CCC(O)(C(F)(F)F)CC2)CCCC1 ZINC000396324714 323352810 /nfs/dbraw/zinc/35/28/10/323352810.db2.gz RFSXODGWRRGGMS-UHFFFAOYSA-N 2 0 308.388 2.686 20 0 DFADRP CC[N@H+]1C[C@@H](C)N(C(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)[C@@H](C)C1 ZINC000580345497 323373578 /nfs/dbraw/zinc/37/35/78/323373578.db2.gz KMAOGIQZMPUPEP-IXDOHACOSA-N 2 0 321.509 2.582 20 0 DFADRP COCCCOc1cccc(C[NH2+]Cc2ccc(C[NH3+])cc2)c1 ZINC000580551403 323402228 /nfs/dbraw/zinc/40/22/28/323402228.db2.gz MLYDFJVHSVGBHT-UHFFFAOYSA-N 2 0 314.429 2.850 20 0 DFADRP CN(CCC[NH+](C)C)C(=O)c1cccc(C[NH+]2CCCCC2)c1 ZINC000582892103 323755399 /nfs/dbraw/zinc/75/53/99/323755399.db2.gz KYYUKQKLVQNOIY-UHFFFAOYSA-N 2 0 317.477 2.696 20 0 DFADRP COc1cc(C)c(C[C@@H](C)[NH2+]CC2CC[NH2+]CC2)cc1OC ZINC000583257276 323822480 /nfs/dbraw/zinc/82/24/80/323822480.db2.gz WQQUBNYQONOITP-CQSZACIVSA-N 2 0 306.450 2.532 20 0 DFADRP [NH3+][C@@H]1CCC[C@@H]([NH2+][C@H]2CCN(c3ccc(Cl)c(F)c3)C2)C1 ZINC000583575436 323882304 /nfs/dbraw/zinc/88/23/04/323882304.db2.gz FKYAVXHJNHFUQX-UPJWGTAASA-N 2 0 311.832 2.917 20 0 DFADRP CC(C)[NH2+]CCCNC1CC[NH+](CCc2ccccc2)CC1 ZINC000584225979 331869827 /nfs/dbraw/zinc/86/98/27/331869827.db2.gz UYBFQCXUHLJRDV-UHFFFAOYSA-N 2 0 303.494 2.671 20 0 DFADRP C[C@H](C[C@H](C)[NH3+])NC(=O)NCC(C)(C)[NH2+][C@@H](C)c1ccccc1 ZINC000584468555 337344676 /nfs/dbraw/zinc/34/46/76/337344676.db2.gz XHGADTKJGJJYSH-ZNMIVQPWSA-N 2 0 320.481 2.541 20 0 DFADRP c1cc2c(cc1C[N@@H+]1CCC[C@H]1[C@H]1CCCOC1)C[NH2+]CC2 ZINC000584475158 337346231 /nfs/dbraw/zinc/34/62/31/337346231.db2.gz WELYHAHGEUPDJQ-HKUYNNGSSA-N 2 0 300.446 2.723 20 0 DFADRP C[C@H]([NH2+]CCOCC[NH+](C)C)c1sccc1Br ZINC000219318249 337347699 /nfs/dbraw/zinc/34/76/99/337347699.db2.gz AWUDNDMMDZCKRF-JTQLQIEISA-N 2 0 321.284 2.739 20 0 DFADRP Cc1cc(NCc2ccccc2C[NH+]2CCC(O)CC2)cc[nH+]1 ZINC000302566941 533997970 /nfs/dbraw/zinc/99/79/70/533997970.db2.gz NRDGKXBBFCOMFM-UHFFFAOYSA-N 2 0 311.429 2.959 20 0 DFADRP Cc1cc(C[NH3+])cc(NC(=O)N2CC[C@H]([NH+]3CCCC3)[C@H]2C)c1 ZINC000332009538 534175277 /nfs/dbraw/zinc/17/52/77/534175277.db2.gz YYNMTJYMZRPUHC-PBHICJAKSA-N 2 0 316.449 2.544 20 0 DFADRP C(CO[C@H]1CCCCO1)C[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000338317573 518393114 /nfs/dbraw/zinc/39/31/14/518393114.db2.gz NTKFVJFYIDOHOU-MSOLQXFVSA-N 2 0 310.482 2.870 20 0 DFADRP C(CO[C@@H]1CCCCO1)C[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000338317592 518394252 /nfs/dbraw/zinc/39/42/52/518394252.db2.gz NTKFVJFYIDOHOU-ZWKOTPCHSA-N 2 0 310.482 2.870 20 0 DFADRP CCC[NH+]1CCC(CNC(=O)c2cccc(C[NH+](C)C)c2)CC1 ZINC000156061978 519843321 /nfs/dbraw/zinc/84/33/21/519843321.db2.gz YMXUPLUDMVPKIQ-UHFFFAOYSA-N 2 0 317.477 2.600 20 0 DFADRP CCCC[C@@H]([NH3+])C(=O)NC1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC000154563879 521065469 /nfs/dbraw/zinc/06/54/69/521065469.db2.gz YXVFSHFYSJLPQO-CRAIPNDOSA-N 2 0 317.477 2.846 20 0 DFADRP CCOc1ccccc1[C@H](C)[NH2+]CCCN1CC[NH+](CC)CC1 ZINC000154314308 521582573 /nfs/dbraw/zinc/58/25/73/521582573.db2.gz FYUZUZGGMPUANW-KRWDZBQOSA-N 2 0 319.493 2.764 20 0 DFADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)[C@@H](C)CC(C)C ZINC000361213348 521632850 /nfs/dbraw/zinc/63/28/50/521632850.db2.gz QWLCYTPHUOYVFZ-DLBZAZTESA-N 2 0 311.514 2.543 20 0 DFADRP CCOC1CC(CC[NH2+][C@@H]2CC[N@H+](C[C@H]3CCCO3)C[C@@H]2C)C1 ZINC000364841807 521645985 /nfs/dbraw/zinc/64/59/85/521645985.db2.gz BTEFNBUXEVBABA-VSEWYGJTSA-N 2 0 324.509 2.671 20 0 DFADRP CC[NH+]1CCN(CCC[NH2+][C@H]2c3cc(F)ccc3C[C@@H]2C)CC1 ZINC000154334134 521682275 /nfs/dbraw/zinc/68/22/75/521682275.db2.gz MVXIYDCZQWMUOT-HNAYVOBHSA-N 2 0 319.468 2.676 20 0 DFADRP CN(C)Cc1cnc(C[NH2+]CCCCC[NH+]2CCCC2)s1 ZINC000339498926 521938813 /nfs/dbraw/zinc/93/88/13/521938813.db2.gz ACDZKYAYSOJWDD-UHFFFAOYSA-N 2 0 310.511 2.560 20 0 DFADRP C[N@@H+]1CC[C@@H](CNC(=O)CC(C)(C)[NH3+])[C@@H]1c1cccc(Cl)c1 ZINC000366324706 523959882 /nfs/dbraw/zinc/95/98/82/523959882.db2.gz BAUJMTUHVAAOFL-BBRMVZONSA-N 2 0 323.868 2.576 20 0 DFADRP C[C@H](C[NH2+][C@@H]1CC[N@H+](C[C@@H]2CCCO2)C[C@@H]1C)c1nccs1 ZINC000365046484 524498761 /nfs/dbraw/zinc/49/87/61/524498761.db2.gz VJZSJZJRJPNNOQ-FXUDXRNXSA-N 2 0 323.506 2.726 20 0 DFADRP C[C@H]([NH2+]C[C@H]1CCC[C@H](O)C1)c1ccc(OCC[NH+](C)C)cc1 ZINC000163308201 525416497 /nfs/dbraw/zinc/41/64/97/525416497.db2.gz OIKDPYJRFPBDAX-BQFCYCMXSA-N 2 0 320.477 2.829 20 0 DFADRP Cc1ccc([C@H](C)[NH2+]CCCN2CCC[N@H+](C)CC2)cc1C ZINC000128357560 525919198 /nfs/dbraw/zinc/91/91/98/525919198.db2.gz OOVBYWGFUWHEQN-SFHVURJKSA-N 2 0 303.494 2.982 20 0 DFADRP CC(C)O[C@@H]1C[C@H]([NH2+]C2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)C1(C)C ZINC000361235599 534913026 /nfs/dbraw/zinc/91/30/26/534913026.db2.gz CZSCCUIRQIARCP-VSZNYVQBSA-N 2 0 324.509 2.546 20 0 DFADRP [NH3+]Cc1cc(NC(=O)[C@@H]2CCCCC[NH2+]2)cc(C(F)(F)F)c1 ZINC000365963242 527250038 /nfs/dbraw/zinc/25/00/38/527250038.db2.gz OGWHHBIYQLBAMW-ZDUSSCGKSA-N 2 0 315.339 2.635 20 0 DFADRP [NH3+][C@H]1CCC[C@@H](C(=O)NC2CC[NH+](CC3CCCCC3)CC2)C1 ZINC000366333517 527401764 /nfs/dbraw/zinc/40/17/64/527401764.db2.gz NPBJKKYEAKJTOJ-SJORKVTESA-N 2 0 321.509 2.665 20 0 DFADRP OC[C@@H](Cc1ccccc1)[NH2+]C1CC[NH+](C2CCCC2)CC1 ZINC000158169806 527580117 /nfs/dbraw/zinc/58/01/17/527580117.db2.gz MCPGSUAVOWHKID-GOSISDBHSA-N 2 0 302.462 2.587 20 0 DFADRP FC(F)(F)COCCC[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000157272162 527668904 /nfs/dbraw/zinc/66/89/04/527668904.db2.gz MVHOMUUMJZCJSP-CQSZACIVSA-N 2 0 308.388 2.906 20 0 DFADRP CCC[N@H+](C)C[C@@H]1CC[NH+](CCN2CCc3ccccc32)C1 ZINC000292396136 527838222 /nfs/dbraw/zinc/83/82/22/527838222.db2.gz IWWKPWNVACNUPL-KRWDZBQOSA-N 2 0 301.478 2.713 20 0 DFADRP CCC[C@@](C)([NH3+])C(=O)NC[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000309886328 527893699 /nfs/dbraw/zinc/89/36/99/527893699.db2.gz LGPLEXWDAXCVNF-IEBWSBKVSA-N 2 0 317.477 2.532 20 0 DFADRP CC[NH+](CC)CCC[C@@H](C)NC(=O)[C@@H]([NH3+])c1ccccc1C ZINC000296802121 528115417 /nfs/dbraw/zinc/11/54/17/528115417.db2.gz MRAGKKMSNFYTNC-WBVHZDCISA-N 2 0 305.466 2.622 20 0 DFADRP CC(C)Oc1ccc(C[NH+]2CCC(OCCC[NH3+])CC2)cc1 ZINC000316500159 528150205 /nfs/dbraw/zinc/15/02/05/528150205.db2.gz VOGLDMQYRABILK-UHFFFAOYSA-N 2 0 306.450 2.804 20 0 DFADRP CC[NH+](CC)Cc1cccc(NC(=O)[C@H]2CCCCC[NH2+]2)c1 ZINC000315710228 528197964 /nfs/dbraw/zinc/19/79/64/528197964.db2.gz UBEZPZCEVIHYGV-QGZVFWFLSA-N 2 0 303.450 2.999 20 0 DFADRP CC1CC[NH+](C2CCC(Nc3cc[nH+]cc3C(N)=O)CC2)CC1 ZINC000302129917 528228216 /nfs/dbraw/zinc/22/82/16/528228216.db2.gz AWUDXMUNSALNJT-UHFFFAOYSA-N 2 0 316.449 2.636 20 0 DFADRP CCCC[NH+]1CCC([NH2+][C@H]2COc3ccc(OC)cc3C2)CC1 ZINC000297588832 528462063 /nfs/dbraw/zinc/46/20/63/528462063.db2.gz HNIMPIFVQXQNOL-QGZVFWFLSA-N 2 0 318.461 2.853 20 0 DFADRP CC(C)[C@@H]([NH3+])C(=O)NCc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000292413259 528496645 /nfs/dbraw/zinc/49/66/45/528496645.db2.gz HJUCYKGXPIEWDX-GOSISDBHSA-N 2 0 317.477 2.662 20 0 DFADRP CCCC[C@H]([NH3+])C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000236836157 535048254 /nfs/dbraw/zinc/04/82/54/535048254.db2.gz HVCBFGWCFIJDNI-JQHSSLGASA-N 2 0 317.477 2.673 20 0 DFADRP CCCC[N@H+](C)CC1CCN(C(=O)[C@@H]([NH3+])c2ccccc2)CC1 ZINC000236709351 535213469 /nfs/dbraw/zinc/21/34/69/535213469.db2.gz LIFZJHXUVVXXIY-SFHVURJKSA-N 2 0 317.477 2.657 20 0 DFADRP CCC[N@H+](CCC(=O)Nc1cccc(F)c1)C1CC[NH2+]CC1 ZINC000262343333 535314565 /nfs/dbraw/zinc/31/45/65/535314565.db2.gz UOMMYFLLBSCTKF-UHFFFAOYSA-N 2 0 307.413 2.618 20 0 DFADRP CCC[NH+](CCC)CCCC(=O)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000361581698 535324412 /nfs/dbraw/zinc/32/44/12/535324412.db2.gz KBEUQWQTRNXSKH-DLBZAZTESA-N 2 0 309.498 2.632 20 0 DFADRP CCC[NH+]1CCC(C[NH2+]Cc2cc(C(=O)OCC)co2)CC1 ZINC000354353410 535352827 /nfs/dbraw/zinc/35/28/27/535352827.db2.gz UEMKYNARLGLZHW-UHFFFAOYSA-N 2 0 308.422 2.668 20 0 DFADRP CC[NH2+]CC1CC[NH+](Cc2cc(=O)oc3cc(C)ccc23)CC1 ZINC000261774450 535460191 /nfs/dbraw/zinc/46/01/91/535460191.db2.gz RGSYANPDCKRJBE-UHFFFAOYSA-N 2 0 314.429 2.923 20 0 DFADRP CC[NH+](CC)CCN(CCC(F)(F)F)C[C@@]1(C)CC[NH2+]C1 ZINC000261722183 535522845 /nfs/dbraw/zinc/52/28/45/535522845.db2.gz GBJAIEATBIWABT-AWEZNQCLSA-N 2 0 309.420 2.582 20 0 DFADRP CC[NH+](CC)[C@@H](C(=O)N[C@H]1CCC[N@H+](CC)C1)c1ccccc1 ZINC000170903731 535637521 /nfs/dbraw/zinc/63/75/21/535637521.db2.gz NASWGGMFXUCZGM-ZWKOTPCHSA-N 2 0 317.477 2.670 20 0 DFADRP CC[NH+](CC)[C@H](CNC(=O)[C@H]1C[C@@H](C)CC[NH2+]1)c1ccccc1 ZINC000261914405 535675771 /nfs/dbraw/zinc/67/57/71/535675771.db2.gz QPCTYBXYNWKMQD-CGTJXYLNSA-N 2 0 317.477 2.574 20 0 DFADRP CC[NH+](CC)[C@H](CNC(=O)[C@H]1CCC[NH2+][C@@H]1C)c1ccccc1 ZINC000261752563 535676384 /nfs/dbraw/zinc/67/63/84/535676384.db2.gz PCWRJMWYWHFBIG-BPQIPLTHSA-N 2 0 317.477 2.574 20 0 DFADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+][C@H](C)C2C(C)(C)C2(C)C)CC1 ZINC000354351429 535707718 /nfs/dbraw/zinc/70/77/18/535707718.db2.gz LBQCKRQYSLZASP-JKSUJKDBSA-N 2 0 309.542 2.920 20 0 DFADRP CC[NH+]1CCN([C@@H]2CC[N@H+](CC[C@H](C)c3ccccc3)C2)CC1 ZINC000249030972 535734962 /nfs/dbraw/zinc/73/49/62/535734962.db2.gz RAGVKBWUAYLAAI-AZUAARDMSA-N 2 0 315.505 2.892 20 0 DFADRP CC[NH+]1CCN([C@@H]2CC[N@H+](C[C@H](C)Cc3ccccc3)C2)CC1 ZINC000249392776 535738537 /nfs/dbraw/zinc/73/85/37/535738537.db2.gz AGTOYYZJPPJMLE-UYAOXDASSA-N 2 0 315.505 2.577 20 0 DFADRP CC[C@H]([NH2+]CCc1ccc(OCC[NH+](C)C)cc1)[C@@H]1CCOC1 ZINC000361176102 535905899 /nfs/dbraw/zinc/90/58/99/535905899.db2.gz UEZVKZYWOPJMPA-MJGOQNOKSA-N 2 0 320.477 2.574 20 0 DFADRP C[NH+](C)Cc1ccc(CN[C@H]2CC[N@@H+]3CCC[C@H]3C2)cc1F ZINC000358248620 536011114 /nfs/dbraw/zinc/01/11/14/536011114.db2.gz MFCQEIDEISMXCV-IRXDYDNUSA-N 2 0 305.441 2.604 20 0 DFADRP C[N@@H+]1CCC[C@@H]1CC[NH2+][C@H](c1ccc2c(c1)OCCO2)C1CC1 ZINC000245967861 536370236 /nfs/dbraw/zinc/37/02/36/536370236.db2.gz ZGHJGTSVOKWNAU-APWZRJJASA-N 2 0 316.445 2.983 20 0 DFADRP C[NH+]1CCN(c2cc(C[NH2+]CCC3CCCCC3)ccn2)CC1 ZINC000361542928 536420002 /nfs/dbraw/zinc/42/00/02/536420002.db2.gz INILGHSDUFLWDU-UHFFFAOYSA-N 2 0 316.493 2.893 20 0 DFADRP COC1(C[NH+]2CCC(CC[NH+]3CCOCC3)CC2)CCCCC1 ZINC000361567148 536623398 /nfs/dbraw/zinc/62/33/98/536623398.db2.gz VAHVUQWQNRGMHI-UHFFFAOYSA-N 2 0 324.509 2.770 20 0 DFADRP COC(=O)c1ccc(C[N@@H+]2C[C@@H](C[NH3+])[C@H](c3ccccc3)C2)cc1 ZINC000261647512 536678108 /nfs/dbraw/zinc/67/81/08/536678108.db2.gz GXYBJFONPCGVRR-MOPGFXCFSA-N 2 0 324.424 2.648 20 0 DFADRP C[N@@H+]1CCCN(CCC[NH2+]C/C=C\c2ccc(F)cc2F)CC1 ZINC000680494997 545502366 /nfs/dbraw/zinc/50/23/66/545502366.db2.gz OEIUASOETHUSSJ-DJWKRKHSSA-N 2 0 323.431 2.595 20 0 DFADRP Cc1ccc2[nH+]ccc(NC3CC[NH+]([C@H]4CCOC4)CC3)c2c1 ZINC000680623034 545520490 /nfs/dbraw/zinc/52/04/90/545520490.db2.gz GOMGSUAJWWEZFU-INIZCTEOSA-N 2 0 311.429 2.630 20 0 DFADRP CCSc1cccc(C[NH2+]CC(C)(C)N2CC[NH+](C)CC2)c1 ZINC000681132070 545601162 /nfs/dbraw/zinc/60/11/62/545601162.db2.gz MXBKSPHCIPAJAN-UHFFFAOYSA-N 2 0 321.534 2.914 20 0 DFADRP CC[C@@H]1CN(C(=O)C(C)C)CC[C@@H]1[NH2+]CC[C@H]1CCCC[N@@H+]1C ZINC000681451753 545642418 /nfs/dbraw/zinc/64/24/18/545642418.db2.gz ZXDZJOHAGMYCEX-KURKYZTESA-N 2 0 323.525 2.734 20 0 DFADRP Cc1ncc([C@H](C)[NH+]2CCC(C[NH+]3CCCC3)CC2)c(C)n1 ZINC000681662621 545694535 /nfs/dbraw/zinc/69/45/35/545694535.db2.gz IDFMXINHGVLOAI-HNNXBMFYSA-N 2 0 302.466 2.962 20 0 DFADRP C[C@H]([NH2+]C[C@]1(O)CCC[C@@H](C(F)(F)F)C1)C1CC[NH+](C)CC1 ZINC000682143042 545803922 /nfs/dbraw/zinc/80/39/22/545803922.db2.gz HGARFAXYDAHSDU-CFVMTHIKSA-N 2 0 322.415 2.790 20 0 DFADRP C[C@H](C[NH+]1CCN([C@H]2CCC[N@H+](C)C2)CC1)c1ccc(F)cc1 ZINC000682154440 545805348 /nfs/dbraw/zinc/80/53/48/545805348.db2.gz CNAWWQXJFZNMSC-APWZRJJASA-N 2 0 319.468 2.641 20 0 DFADRP Cn1cncc1CC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000682646966 545891656 /nfs/dbraw/zinc/89/16/56/545891656.db2.gz XNIPPJLVIGTPIM-YQQQUEKLSA-N 2 0 324.472 2.748 20 0 DFADRP CC[C@@H]1CN(C(=O)C(C)C)CC[C@H]1[NH2+]CCC[NH+](CC)CC ZINC000683142343 545979726 /nfs/dbraw/zinc/97/97/26/545979726.db2.gz PJTGWZDBWXCMGA-IAGOWNOFSA-N 2 0 311.514 2.591 20 0 DFADRP CCN1CC[NH+](CCCC[NH2+]Cc2cc3ccccc3[nH]2)CC1 ZINC000683927236 546121335 /nfs/dbraw/zinc/12/13/35/546121335.db2.gz HDQXCDIKMQEWFD-UHFFFAOYSA-N 2 0 314.477 2.675 20 0 DFADRP C[N@H+](Cc1ccccc1)C1CCC([NH2+]CC2(CO)CC2)CC1 ZINC000684836038 546288516 /nfs/dbraw/zinc/28/85/16/546288516.db2.gz OKKHRRUTTGBNIE-UHFFFAOYSA-N 2 0 302.462 2.792 20 0 DFADRP C[C@@](O)(C[NH+]1CCC(C[NH+]2CCCCCC2)CC1)C(F)(F)F ZINC000685000955 546317745 /nfs/dbraw/zinc/31/77/45/546317745.db2.gz ZHVMQGNZHUZNJE-OAHLLOKOSA-N 2 0 322.415 2.888 20 0 DFADRP Cc1cnn(C)c1C[NH+]1CCC(C[NH+]2CCCCCC2)CC1 ZINC000685410510 546344759 /nfs/dbraw/zinc/34/47/59/546344759.db2.gz JKEQOCQIAVYIOX-UHFFFAOYSA-N 2 0 304.482 2.817 20 0 DFADRP C[NH+]1CCC([C@@H]2CC[N@H+](Cc3cn4cccc(F)c4n3)C2)CC1 ZINC000685463109 546354588 /nfs/dbraw/zinc/35/45/88/546354588.db2.gz FVXYPHSQNLXRFN-OAHLLOKOSA-N 2 0 316.424 2.637 20 0 DFADRP CCC[C@]1(CO)CC[N@H+](Cc2ccc(OCC[NH+](C)C)cc2)C1 ZINC000685477481 546359086 /nfs/dbraw/zinc/35/90/86/546359086.db2.gz LMXAIBAERCZQOJ-IBGZPJMESA-N 2 0 320.477 2.612 20 0 DFADRP Cc1nc(C)c(C[N@@H+]2CC[C@@H](CNc3cc(C)cc[nH+]3)C2)o1 ZINC000685564020 546368247 /nfs/dbraw/zinc/36/82/47/546368247.db2.gz SHRZCHCONYDSAD-HNNXBMFYSA-N 2 0 300.406 2.929 20 0 DFADRP Cc1nc2ccccc2nc1C[NH+]1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000357086986 282081766 /nfs/dbraw/zinc/08/17/66/282081766.db2.gz RZQIOJLIOYYFSL-MRXNPFEDSA-N 2 0 310.445 2.760 20 0 DFADRP C[NH+](C)CCOc1cc(C[NH2+][C@@H]2CCC23CCCC3)ccn1 ZINC000189186214 282110143 /nfs/dbraw/zinc/11/01/43/282110143.db2.gz PCYDTGYCVRKVFM-MRXNPFEDSA-N 2 0 303.450 2.834 20 0 DFADRP C[C@H]([NH2+][C@H]1CCOC[C@@H]1C)c1cccc(OCC[NH+](C)C)c1 ZINC000278438147 214152358 /nfs/dbraw/zinc/15/23/58/214152358.db2.gz HJFHBUHGWARHAN-MPGHIAIKSA-N 2 0 306.450 2.703 20 0 DFADRP C[NH+](C)CCc1ccc(NC(=O)C2CC[NH+](C3CC3)CC2)cc1 ZINC000278683173 214324524 /nfs/dbraw/zinc/32/45/24/214324524.db2.gz HXLPOCSCGJFHNJ-UHFFFAOYSA-N 2 0 315.461 2.604 20 0 DFADRP COc1cccc2cc([C@@H](C)[NH2+]CCOCC[NH+](C)C)oc21 ZINC000318826770 231175114 /nfs/dbraw/zinc/17/51/14/231175114.db2.gz KSBRPLFSTVRQHK-CYBMUJFWSA-N 2 0 306.406 2.670 20 0 DFADRP O=C(NC[C@H](c1cccs1)[NH+]1CCCC1)[C@H]1CCCCC[NH2+]1 ZINC000364462701 295679895 /nfs/dbraw/zinc/67/98/95/295679895.db2.gz PTYKHGWVVZRRRP-HUUCEWRRSA-N 2 0 321.490 2.533 20 0 DFADRP CCC(C)(C)NC(=O)[C@H](C)[N@@H+]1CCC[C@@H](n2ccnc2C)C1 ZINC000591905007 398348404 /nfs/dbraw/zinc/34/84/04/398348404.db2.gz AVUNQFIGVGWREX-DZGCQCFKSA-N 2 0 306.454 2.522 20 0 DFADRP Cc1nccn1[C@@H]1CCC[N@@H+]([C@H](C)C(=O)N2CCCCCC2)C1 ZINC000591906431 398349623 /nfs/dbraw/zinc/34/96/23/398349623.db2.gz OFYKQWSGQXNCAV-NVXWUHKLSA-N 2 0 318.465 2.620 20 0 DFADRP [NH3+][C@@H]1CCC[C@@H]([NH2+]CCc2ccc(Br)s2)C1 ZINC000226359689 398350501 /nfs/dbraw/zinc/35/05/01/398350501.db2.gz WITBCGYVHNMSDH-NXEZZACHSA-N 2 0 303.269 2.913 20 0 DFADRP C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccc(CNC3=[NH+]CCCN3)cc2)C1 ZINC000066243399 398364158 /nfs/dbraw/zinc/36/41/58/398364158.db2.gz QGJGXTILUWLXBX-IYBDPMFKSA-N 2 0 314.477 2.603 20 0 DFADRP C[C@@H](CNC(=O)CC[C@H]([NH3+])c1ccccc1)[NH+]1CCC(C)CC1 ZINC000236716321 398363161 /nfs/dbraw/zinc/36/31/61/398363161.db2.gz NKRLYOJUQXHWRD-WMZOPIPTSA-N 2 0 317.477 2.703 20 0 DFADRP C[NH+](C)Cc1cccc(NC(=O)[C@H]2[NH2+]CCc3ccccc32)c1 ZINC000237074652 398366528 /nfs/dbraw/zinc/36/65/28/398366528.db2.gz LHMNYBGCAPGMEW-SFHVURJKSA-N 2 0 309.413 2.574 20 0 DFADRP CCC[NH+](CCC)CCCNC(=O)[C@H]1[NH2+]CCc2ccccc21 ZINC000236992816 398365714 /nfs/dbraw/zinc/36/57/14/398365714.db2.gz YOCGVGMFSZLMBC-SFHVURJKSA-N 2 0 317.477 2.502 20 0 DFADRP Cn1nccc1[C@@H]1CCC[C@H]([NH2+][C@H]2CCC[C@@H]([NH+](C)C)C2)C1 ZINC000369558280 282194902 /nfs/dbraw/zinc/19/49/02/282194902.db2.gz CIQABAYFCHOXII-LTIDMASMSA-N 2 0 304.482 2.909 20 0 DFADRP CC[C@H]([NH2+]CC1=CC[N@H+](C)CC1)c1ccc(C(=O)OC)cc1 ZINC000294708887 529593191 /nfs/dbraw/zinc/59/31/91/529593191.db2.gz JKEUGLLNVZFUPI-KRWDZBQOSA-N 2 0 302.418 2.776 20 0 DFADRP CC[NH+]1CCN([C@H]2CC[N@H+](CC3CCC(F)(F)CC3)C2)CC1 ZINC000459359894 299087573 /nfs/dbraw/zinc/08/75/73/299087573.db2.gz YKBYDHATJRPGPA-INIZCTEOSA-N 2 0 315.452 2.524 20 0 DFADRP CC(C)[C@H](C)[NH2+]Cc1ccc(C(=O)NCC[NH+]2CCCC2)cc1 ZINC000090028807 185278783 /nfs/dbraw/zinc/27/87/83/185278783.db2.gz XULDSGRRSOFICZ-INIZCTEOSA-N 2 0 317.477 2.646 20 0 DFADRP CCO[C@@H]1C[C@@H]([NH2+]CCCC[NH+]2CCC(C)CC2)[C@@H]1SC ZINC000459373986 299090522 /nfs/dbraw/zinc/09/05/22/299090522.db2.gz LGQFADOPGJCTEM-ZACQAIPSSA-N 2 0 314.539 2.997 20 0 DFADRP C[NH+](C)Cc1ccc(C[NH2+]C2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC000459378487 299091423 /nfs/dbraw/zinc/09/14/23/299091423.db2.gz ONPQMYOAJBMSAA-UHFFFAOYSA-N 3 0 324.472 2.902 20 0 DFADRP Cc1ccoc1C[NH+]1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000092587419 185327571 /nfs/dbraw/zinc/32/75/71/185327571.db2.gz XDEBGIIGKAQWGU-IYBDPMFKSA-N 2 0 306.450 2.909 20 0 DFADRP Cc1ncccc1C[NH+]1CCC(C[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000092587500 185327602 /nfs/dbraw/zinc/32/76/02/185327602.db2.gz IMFVKMCAJCJATN-HZPDHXFCSA-N 2 0 317.477 2.711 20 0 DFADRP C[C@@H]([NH2+]CCN1CC[NH+](Cc2ccccc2)CC1)c1cccnc1 ZINC000092720547 185336028 /nfs/dbraw/zinc/33/60/28/185336028.db2.gz MDWAJBZYRNTSQZ-GOSISDBHSA-N 2 0 324.472 2.550 20 0 DFADRP Cc1cc(F)c(C[NH2+][C@H](C)CN2CCN(C)CC2)c(Cl)c1 ZINC000459394818 299095060 /nfs/dbraw/zinc/09/50/60/299095060.db2.gz BGIWXSYYASYKLA-CYBMUJFWSA-N 2 0 313.848 2.513 20 0 DFADRP C[N@@H+]1CC[C@]2(CC[NH+](CCCc3ccc4c(c3)CCO4)C2)C1 ZINC000292710733 529811716 /nfs/dbraw/zinc/81/17/16/529811716.db2.gz DEOGYUIACFMICQ-IBGZPJMESA-N 2 0 300.446 2.582 20 0 DFADRP C[C@H](Cc1ccoc1)[NH2+]Cc1ccc(OCC[NH+](C)C)cc1 ZINC000084961412 398411563 /nfs/dbraw/zinc/41/15/63/398411563.db2.gz FAVVYPVKRSRVIU-OAHLLOKOSA-N 2 0 302.418 2.941 20 0 DFADRP C[C@@H](Cc1ccoc1)[NH2+]Cc1ccc(OCC[NH+](C)C)cc1 ZINC000084961410 398411440 /nfs/dbraw/zinc/41/14/40/398411440.db2.gz FAVVYPVKRSRVIU-HNNXBMFYSA-N 2 0 302.418 2.941 20 0 DFADRP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1NCc1cc(COC)on1 ZINC000459426525 299102821 /nfs/dbraw/zinc/10/28/21/299102821.db2.gz MYXFXOSCQAMPRC-YOEHRIQHSA-N 2 0 309.454 2.811 20 0 DFADRP CNC(=O)C[C@@H](C)[NH2+]Cc1ccc(C[NH+]2CCC(C)CC2)cc1 ZINC000298318394 529869395 /nfs/dbraw/zinc/86/93/95/529869395.db2.gz XLDAGTLMSFNLDL-MRXNPFEDSA-N 2 0 317.477 2.533 20 0 DFADRP O[C@@H](C[NH2+]CCCCC[NH+]1CCCCC1)Cc1ccc(F)cc1 ZINC000584834159 398418564 /nfs/dbraw/zinc/41/85/64/398418564.db2.gz BEOMTADXEQRTDU-LJQANCHMSA-N 2 0 322.468 2.975 20 0 DFADRP C[C@@H]1C[C@H]([NH2+][C@H](CN2CC[NH+](C)CC2)c2ccccc2)[C@@H]1C ZINC000584875338 398424391 /nfs/dbraw/zinc/42/43/91/398424391.db2.gz VFFMRDCKYQEJLP-ZAWLATJESA-N 2 0 301.478 2.609 20 0 DFADRP COC(=O)c1cccc(C[N@@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)c1 ZINC000592433659 398425767 /nfs/dbraw/zinc/42/57/67/398425767.db2.gz OBQCAKCFLCEMDL-ROUUACIJSA-N 2 0 316.445 2.685 20 0 DFADRP CCC[NH+]1CCC([NH2+][C@@H]2CC[C@H](C(=O)OC(C)(C)C)C2)CC1 ZINC000592400934 398422102 /nfs/dbraw/zinc/42/21/02/398422102.db2.gz APUNSOYJROQWCN-GOEBONIOSA-N 2 0 310.482 2.961 20 0 DFADRP CC(C)[NH+]1CCC([NH2+][C@@H]2CC[C@H](C(=O)OC(C)(C)C)C2)CC1 ZINC000592402573 398422961 /nfs/dbraw/zinc/42/29/61/398422961.db2.gz JHSXVSWEIFFWES-GOEBONIOSA-N 2 0 310.482 2.959 20 0 DFADRP COC(=O)CC[C@H]([NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1)c1ccccc1 ZINC000592469469 398430323 /nfs/dbraw/zinc/43/03/23/398430323.db2.gz QZZALPWBBZHWMN-MLHJIOFPSA-N 2 0 316.445 2.659 20 0 DFADRP C[N@H+](CC[C@@H]1CCCC[NH+]1C)C[C@H](O)Cc1ccc(F)cc1 ZINC000292852392 529930309 /nfs/dbraw/zinc/93/03/09/529930309.db2.gz QSGUXISTZOETBJ-ZWKOTPCHSA-N 2 0 308.441 2.535 20 0 DFADRP COC(=O)[C@@H]1C[C@H]2CCCC[C@H]2[N@@H+]1CCCC1CC[NH2+]CC1 ZINC000592493590 398433397 /nfs/dbraw/zinc/43/33/97/398433397.db2.gz XDBHXNQFVRYGGJ-ZACQAIPSSA-N 2 0 308.466 2.572 20 0 DFADRP C[C@H]1C[NH+](CCCC[NH2+]Cc2ccc(Cl)o2)C[C@H](C)O1 ZINC000067452824 398435706 /nfs/dbraw/zinc/43/57/06/398435706.db2.gz SLEGUOJVZJYOKF-STQMWFEESA-N 2 0 300.830 2.912 20 0 DFADRP O[C@H]1CC[N@H+](Cc2ccccc2C[NH2+]C2CC3(CCC3)C2)C1 ZINC000459456307 299111130 /nfs/dbraw/zinc/11/11/30/299111130.db2.gz DVZSNEKPFNCKCJ-SFHVURJKSA-N 2 0 300.446 2.676 20 0 DFADRP Cn1c2ccccc2nc1CCC[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000090050152 398476438 /nfs/dbraw/zinc/47/64/38/398476438.db2.gz REULPLBSXZOQOR-HZPDHXFCSA-N 2 0 312.461 2.722 20 0 DFADRP C[C@H]1CC[C@H](C[NH+]2CCN(c3cc[nH+]c4ccccc43)CC2)O1 ZINC000459487106 299119009 /nfs/dbraw/zinc/11/90/09/299119009.db2.gz UHVIZXCOBUGRBA-JKSUJKDBSA-N 2 0 311.429 2.924 20 0 DFADRP O=C(NCCC[NH2+]C1CC[NH+](C2CCCCC2)CC1)C1CCC1 ZINC000090185271 398484479 /nfs/dbraw/zinc/48/44/79/398484479.db2.gz ZSEVCMRDFSDZDC-UHFFFAOYSA-N 2 0 321.509 2.680 20 0 DFADRP C[C@@H](CC[NH2+]C1CC[NH+](C2CCCCC2)CC1)[S@@](C)=O ZINC000090516811 398488652 /nfs/dbraw/zinc/48/86/52/398488652.db2.gz JDZPIRQODXPLQT-XOBRGWDASA-N 2 0 300.512 2.530 20 0 DFADRP CCO[C@@H]1C[C@H]([NH2+]CC(C)(C)C[NH+]2CCCC2)[C@@H]1SC ZINC000459516756 299123737 /nfs/dbraw/zinc/12/37/37/299123737.db2.gz IIJJEMIQGCONSU-ZNMIVQPWSA-N 2 0 300.512 2.607 20 0 DFADRP c1[nH]nc2cc(CC[NH2+]C3CCN(c4cc[nH+]cc4)CC3)ccc12 ZINC000459524800 299125298 /nfs/dbraw/zinc/12/52/98/299125298.db2.gz MTVIGLNDFUDHEX-UHFFFAOYSA-N 2 0 321.428 2.759 20 0 DFADRP CC[C@H](C)[C@H](O)C[NH2+][C@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272704211 210109689 /nfs/dbraw/zinc/10/96/89/210109689.db2.gz ZSFIHSUQQRSDTA-OGWHTMIXSA-N 2 0 304.478 2.894 20 0 DFADRP C[C@@H]([NH2+]CC[C@H]1CCCC[N@@H+]1C)c1ccc(-n2cncn2)cc1 ZINC000272703389 210108206 /nfs/dbraw/zinc/10/82/06/210108206.db2.gz ZLZCPKRPRKBBNH-NVXWUHKLSA-N 2 0 313.449 2.792 20 0 DFADRP CC[N@@H+]1CCC[C@@H]1CN[C@H](C)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000272698709 210104259 /nfs/dbraw/zinc/10/42/59/210104259.db2.gz XYAIWDVVNNOZCC-YZGWKJHDSA-N 2 0 315.505 2.971 20 0 DFADRP CC(C)(C)CC[C@@H](CO)[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000459532445 299127348 /nfs/dbraw/zinc/12/73/48/299127348.db2.gz RCXGZMCWDIHCPD-INIZCTEOSA-N 2 0 305.466 2.827 20 0 DFADRP CC[NH+]1CCN([C@H]2CC[N@H+](CCCc3ccc(C)cc3)C2)CC1 ZINC000181858553 199363051 /nfs/dbraw/zinc/36/30/51/199363051.db2.gz GBQRZQDFJFFONH-FQEVSTJZSA-N 2 0 315.505 2.639 20 0 DFADRP C[N@H+](Cc1ccccc1)CC(C)(C)NCC[C@@H]1CCC[NH+]1C ZINC000091075125 398507928 /nfs/dbraw/zinc/50/79/28/398507928.db2.gz QAUPHQBRZDZRGY-SFHVURJKSA-N 2 0 303.494 2.971 20 0 DFADRP C[C@]1(C[NH2+]C2CCN(c3cc[nH+]cc3)CC2)CCO[C@@H]1C1CC1 ZINC000459540945 299129093 /nfs/dbraw/zinc/12/90/93/299129093.db2.gz VSKJDHLSTZBGBS-RTBURBONSA-N 2 0 315.461 2.845 20 0 DFADRP C[N@H+](CCCNC(=O)CC[C@@H]1CCC[NH2+]C1)C1CCCCC1 ZINC000314804032 398522187 /nfs/dbraw/zinc/52/21/87/398522187.db2.gz MEKHURSASHSOLK-INIZCTEOSA-N 2 0 309.498 2.537 20 0 DFADRP CC(C)[C@H](C[NH2+][C@@H](c1cccnc1)C(C)C)N1CC[NH+](C)CC1 ZINC000091283357 398525050 /nfs/dbraw/zinc/52/50/50/398525050.db2.gz RFLKPKBLVGXNSU-RBUKOAKNSA-N 2 0 318.509 2.640 20 0 DFADRP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@@H](c2cccnc2)C(C)C)CC1 ZINC000091320871 398526819 /nfs/dbraw/zinc/52/68/19/398526819.db2.gz LMMJZQZNSFRAML-IEBWSBKVSA-N 2 0 318.509 2.642 20 0 DFADRP CC(C)[C@@H]([NH2+]CCC[N@@H+]1CCC[C@H](C(N)=O)C1)c1ccccc1 ZINC000091333573 398526033 /nfs/dbraw/zinc/52/60/33/398526033.db2.gz SPYLXBOILFWUTC-ZWKOTPCHSA-N 2 0 317.477 2.561 20 0 DFADRP C[C@@H](C[NH+](C)C)N[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000286880282 219206923 /nfs/dbraw/zinc/20/69/23/219206923.db2.gz CJYILLYTKWUTLQ-DSLXNQLJSA-N 2 0 301.478 2.722 20 0 DFADRP CC[NH+]1CCN([C@H]2CC[N@H+](Cc3cccc(C(F)F)c3)C2)CC1 ZINC000279693683 215066815 /nfs/dbraw/zinc/06/68/15/215066815.db2.gz IFZCIVPTVLMRSB-KRWDZBQOSA-N 2 0 323.431 2.836 20 0 DFADRP CCCCCOC1CN(Cc2cn(-c3cc[nH+]cc3)nc2C)C1 ZINC000459584835 299140239 /nfs/dbraw/zinc/14/02/39/299140239.db2.gz AFFRKAZKADJTAG-UHFFFAOYSA-N 2 0 314.433 2.967 20 0 DFADRP C[C@@H]([NH2+]Cc1ccc2c[nH+]cn2c1)c1ccc2c(c1)OCCO2 ZINC000414163529 295773351 /nfs/dbraw/zinc/77/33/51/295773351.db2.gz GEZIWONEYIBOFF-CYBMUJFWSA-N 2 0 309.369 2.956 20 0 DFADRP COc1ccc(C[NH+](C)C)cc1NC1CC[NH+](C2CC2)CC1 ZINC000319488502 398542745 /nfs/dbraw/zinc/54/27/45/398542745.db2.gz VRNLTEGVLGGUMI-UHFFFAOYSA-N 2 0 303.450 2.796 20 0 DFADRP C[C@H]1C[N@H+](C)CC[C@@H]1[NH2+]CCc1coc(-c2ccc(F)cc2)n1 ZINC000091739744 398543121 /nfs/dbraw/zinc/54/31/21/398543121.db2.gz DBNVKSQLODAJSZ-GUYCJALGSA-N 2 0 317.408 2.953 20 0 DFADRP CSC1(C[NH2+][C@@H]2CCN(c3ccccc3)C2)CC[NH+](C)CC1 ZINC000589326128 398545642 /nfs/dbraw/zinc/54/56/42/398545642.db2.gz ZPVLEYZEQJFBEB-MRXNPFEDSA-N 2 0 319.518 2.682 20 0 DFADRP C[NH+](C)Cc1cccc(NC(=O)[C@@H]2C[NH2+]Cc3ccccc32)c1 ZINC000321238249 398551792 /nfs/dbraw/zinc/55/17/92/398551792.db2.gz TWUWTIRSPLASBS-GOSISDBHSA-N 2 0 309.413 2.574 20 0 DFADRP Cc1nn(-c2cccc(F)c2)cc1C[NH2+]CCCC[NH+](C)C ZINC000414310527 295786942 /nfs/dbraw/zinc/78/69/42/295786942.db2.gz WGTXWWIIBUUQTR-UHFFFAOYSA-N 2 0 304.413 2.751 20 0 DFADRP COC(=O)c1ccc(C[NH2+]CC[C@H]2CCC[N@H+](C)C2)cc1Cl ZINC000597151983 398577042 /nfs/dbraw/zinc/57/70/42/398577042.db2.gz UGWLEKVQBSZQAQ-CYBMUJFWSA-N 2 0 324.852 2.948 20 0 DFADRP CS[C@H]1CC[C@H]1[NH2+]CC1CC[NH+](Cc2ccncc2)CC1 ZINC000597193108 398586822 /nfs/dbraw/zinc/58/68/22/398586822.db2.gz VDHMPIMYUOSHSA-SJORKVTESA-N 2 0 305.491 2.777 20 0 DFADRP COC(=O)[C@H]1C[C@@H]([NH2+]C2CC[NH+]([C@@H]3CCC[C@@H](C)C3)CC2)C1 ZINC000597220667 398594661 /nfs/dbraw/zinc/59/46/61/398594661.db2.gz ISSOCLFSIAUAGM-TXCZRRACSA-N 2 0 308.466 2.571 20 0 DFADRP CCOC(=O)[C@@H]1CC[C@@H]([NH2+]Cc2ccccc2C[NH2+]C)C[C@H]1C ZINC000593318405 398597663 /nfs/dbraw/zinc/59/76/63/398597663.db2.gz OVBZICYZVGWVCD-ZTFGCOKTSA-N 2 0 318.461 2.864 20 0 DFADRP COC(=O)CCC[C@H]1CCC[C@@H]([NH2+]CCC2CC[NH2+]CC2)C1 ZINC000593321963 398598459 /nfs/dbraw/zinc/59/84/59/398598459.db2.gz KCWNFSOKFVWAKQ-IAGOWNOFSA-N 2 0 310.482 2.868 20 0 DFADRP O=C(CC[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1)Nc1ccc(F)cc1 ZINC000150760027 186064694 /nfs/dbraw/zinc/06/46/94/186064694.db2.gz ACBUGAFWENGKRO-HNNXBMFYSA-N 2 0 319.424 2.572 20 0 DFADRP C[C@H]([NH2+]C[C@@H](O)C[NH+]1CCCC1)[C@@H](C)c1ccc(Cl)cc1 ZINC000280021295 215317431 /nfs/dbraw/zinc/31/74/31/215317431.db2.gz UAXABOPJFGBDLJ-JKIFEVAISA-N 2 0 310.869 2.878 20 0 DFADRP COc1ccc(OCCC[NH2+][C@H]2C[C@@H](C)[N@H+](C)C[C@H]2C)cc1 ZINC000152493339 186078867 /nfs/dbraw/zinc/07/88/67/186078867.db2.gz AEWCKCUZRREUIM-RKVPGOIHSA-N 2 0 306.450 2.782 20 0 DFADRP C[C@H]([NH2+]CC(C)(C)N(C)C)c1ccc(OCC[NH+](C)C)cc1 ZINC000152589173 186087156 /nfs/dbraw/zinc/08/71/56/186087156.db2.gz XWFGZLNIMCENOI-HNNXBMFYSA-N 2 0 307.482 2.618 20 0 DFADRP CC[C@@H](C)[C@H]([NH3+])C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000155700607 186104485 /nfs/dbraw/zinc/10/44/85/186104485.db2.gz WIUQGLOXSRNGRW-AHCXZYCDSA-N 2 0 317.477 2.529 20 0 DFADRP C[C@H](Cc1ccccc1F)[NH2+]CCCC[N@@H+]1CCC[C@@H]1CO ZINC000187994301 186241312 /nfs/dbraw/zinc/24/13/12/186241312.db2.gz UEHWKYUYKDTUNW-NVXWUHKLSA-N 2 0 308.441 2.583 20 0 DFADRP COC(=O)[C@@H]1CCC[C@@H]1[NH2+]C1CC[NH+]([C@@H]2CCCC[C@@H]2C)CC1 ZINC000590657621 398646423 /nfs/dbraw/zinc/64/64/23/398646423.db2.gz MAOGEZGJDMFPOK-XOYOTBSWSA-N 2 0 322.493 2.961 20 0 DFADRP C[C@@H]1CCC[N@H+](CCCCNC(=O)[C@@H]2C[C@@H]3CCCC[C@@H]3[NH2+]2)C1 ZINC000237462437 186293487 /nfs/dbraw/zinc/29/34/87/186293487.db2.gz MWCRDRKSUBWGPR-OWSLCNJRSA-N 2 0 321.509 2.535 20 0 DFADRP C[C@H]1C[C@@H](C[NH+]2CCC(C(=O)c3ccccc3)CC2)CC[NH2+]1 ZINC000414683498 295815800 /nfs/dbraw/zinc/81/58/00/295815800.db2.gz TZSZDOUTXYKEQT-HOTGVXAUSA-N 2 0 300.446 2.969 20 0 DFADRP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NCCC[NH+]1CCCC1 ZINC000268753929 186379456 /nfs/dbraw/zinc/37/94/56/186379456.db2.gz WOJCLHJEWSYKHF-AZUAARDMSA-N 2 0 315.505 2.973 20 0 DFADRP C[N@@H+]1CCC[C@H](CC[NH2+]Cc2cnn(-c3ccc(F)cc3)c2)C1 ZINC000459735917 299176389 /nfs/dbraw/zinc/17/63/89/299176389.db2.gz PZBGKJXMUSYJDV-OAHLLOKOSA-N 2 0 316.424 2.833 20 0 DFADRP CCOc1cc(C[NH2+]CC[C@@H](C)[NH3+])ccc1OCC(F)(F)F ZINC000414818457 295821532 /nfs/dbraw/zinc/82/15/32/295821532.db2.gz FAVSUSUMJPNNQK-LLVKDONJSA-N 2 0 320.355 2.853 20 0 DFADRP C[C@H]([NH3+])CC[NH2+][C@@H](C)CC(=O)Nc1ccccc1C(F)(F)F ZINC000414824125 295822334 /nfs/dbraw/zinc/82/23/34/295822334.db2.gz QAZGGYKUPLHWDT-QWRGUYRKSA-N 2 0 317.355 2.749 20 0 DFADRP FC(F)(F)COc1ccc(C[NH2+]CC[C@@H]2CC[NH2+]C2)cc1 ZINC000414832751 295823851 /nfs/dbraw/zinc/82/38/51/295823851.db2.gz OSNNDMAQFDAIAL-CYBMUJFWSA-N 2 0 302.340 2.717 20 0 DFADRP Fc1cc(C[NH2+]C[C@H]2CCC[NH2+]C2)ccc1Br ZINC000414833311 295823930 /nfs/dbraw/zinc/82/39/30/295823930.db2.gz RSHFHXHBBMDGIC-NSHDSACASA-N 2 0 301.203 2.677 20 0 DFADRP C[C@H]1CCCC[C@H]1[NH+]1CCC(NC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000414841127 295824773 /nfs/dbraw/zinc/82/47/73/295824773.db2.gz YWWIPCPKJWPOHR-KEVQOFRZSA-N 2 0 305.510 2.902 20 0 DFADRP c1cc(OC[C@@H]2CCCO2)ccc1C[NH2+]CC[C@H]1CCC[NH2+]C1 ZINC000414848790 295825910 /nfs/dbraw/zinc/82/59/10/295825910.db2.gz LDEAKGQWABGBJR-APWZRJJASA-N 2 0 318.461 2.724 20 0 DFADRP c1ccc([C@@H]2C[C@H](NCCC[NH2+]Cc3cccnc3)CC[NH2+]2)cc1 ZINC000414857574 295827224 /nfs/dbraw/zinc/82/72/24/295827224.db2.gz FBARIDWTJXCFDX-UXHICEINSA-N 2 0 324.472 2.644 20 0 DFADRP COc1cc(C[NH2+][C@@H](C)[C@@H]2CCC[NH2+]C2)ccc1OC(C)C ZINC000414858687 295827114 /nfs/dbraw/zinc/82/71/14/295827114.db2.gz SIBFTEFINLZLHG-GOEBONIOSA-N 2 0 306.450 2.960 20 0 DFADRP [NH3+]C1C[C@H]2CCC[C@@H](C1)C2[NH2+]C1CCN(CC(F)(F)F)CC1 ZINC000414868338 295828421 /nfs/dbraw/zinc/82/84/21/295828421.db2.gz JXOVGDKNGJLPOU-DOOHLRMFSA-N 2 0 319.415 2.509 20 0 DFADRP COc1ccc(C[C@@H](C)C[NH2+]C[C@@]2(C)CCC[NH2+]C2)cc1F ZINC000414899620 295832318 /nfs/dbraw/zinc/83/23/18/295832318.db2.gz CPRIFKMMYVGLJQ-KDOFPFPSSA-N 2 0 308.441 2.992 20 0 DFADRP C[C@H](CC(=O)Nc1cccc(F)c1)[NH2+]CC1(C)CC[NH2+]CC1 ZINC000414897329 295831755 /nfs/dbraw/zinc/83/17/55/295831755.db2.gz DOZUJUKYMKZPQW-CYBMUJFWSA-N 2 0 307.413 2.522 20 0 DFADRP COc1ccc(C[C@@H](C)C[NH2+]CC2(C)CC[NH2+]CC2)cc1F ZINC000414909442 295833652 /nfs/dbraw/zinc/83/36/52/295833652.db2.gz RVBIEOQNHGMSDU-CQSZACIVSA-N 2 0 308.441 2.992 20 0 DFADRP COc1cc(C[NH2+]CC2(C)CC[NH2+]CC2)ccc1OC(F)F ZINC000414913643 295834042 /nfs/dbraw/zinc/83/40/42/295834042.db2.gz WLGCUXMGKUBMJD-UHFFFAOYSA-N 2 0 314.376 2.776 20 0 DFADRP COc1ccc(C[NH2+]CC2(C)CC[NH2+]CC2)c(OC(F)F)c1 ZINC000414912155 295834050 /nfs/dbraw/zinc/83/40/50/295834050.db2.gz VDMUWEDJAVSBDN-UHFFFAOYSA-N 2 0 314.376 2.776 20 0 DFADRP CC1(C[NH2+]Cc2ccc(OC(F)F)c(F)c2)CC[NH2+]CC1 ZINC000414912079 295834111 /nfs/dbraw/zinc/83/41/11/295834111.db2.gz UVOJFJJKMDLLJU-UHFFFAOYSA-N 2 0 302.340 2.906 20 0 DFADRP COc1ccc(Br)cc1C[NH2+][C@H]1CCC[C@@H]([NH3+])C1 ZINC000414929530 295836583 /nfs/dbraw/zinc/83/65/83/295836583.db2.gz RQCQXFHXJRDTPT-OLZOCXBDSA-N 2 0 313.239 2.817 20 0 DFADRP COCC1(C[NH2+]Cc2csc(C(C)(C)C)n2)CC[NH2+]CC1 ZINC000414956760 295840717 /nfs/dbraw/zinc/84/07/17/295840717.db2.gz PAFCAWGNEKNZTD-UHFFFAOYSA-N 2 0 311.495 2.546 20 0 DFADRP Cc1cc(C[NH2+][C@@H]2CC[NH2+]C[C@@H]2C)sc1Br ZINC000414953805 295840438 /nfs/dbraw/zinc/84/04/38/295840438.db2.gz KDRHQTWTMIEIEK-GXSJLCMTSA-N 2 0 303.269 2.907 20 0 DFADRP Cc1nn(-c2ccccn2)c(C)c1C[NH2+]CCC[C@H]1CCC[NH2+]1 ZINC000414968103 295842524 /nfs/dbraw/zinc/84/25/24/295842524.db2.gz RGUHFCHJHVEUEF-INIZCTEOSA-N 2 0 313.449 2.506 20 0 DFADRP COCC1(C[NH2+][C@@H]2C[C@@H](c3ccccc3)[C@@H]2C)CC[NH2+]CC1 ZINC000414976161 295843219 /nfs/dbraw/zinc/84/32/19/295843219.db2.gz OWSXAEYKGMNDNA-CGTJXYLNSA-N 2 0 302.462 2.784 20 0 DFADRP C[N@@H+]1CCC[C@@H](CC[NH2+]Cc2c[nH]nc2-c2ccsc2)C1 ZINC000459777317 299189597 /nfs/dbraw/zinc/18/95/97/299189597.db2.gz KPCUJNFGCKKFAN-ZDUSSCGKSA-N 2 0 304.463 2.960 20 0 DFADRP CC(C)CCC[C@H](C)[NH2+]C[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000414990237 295844489 /nfs/dbraw/zinc/84/44/89/295844489.db2.gz RMSLASWXFIHREK-KBPBESRZSA-N 2 0 309.420 2.627 20 0 DFADRP COc1ccc(OC(F)F)c(C[NH2+]C[C@@H]2CCC[C@H]([NH3+])C2)c1 ZINC000414989460 295844524 /nfs/dbraw/zinc/84/45/24/295844524.db2.gz GYAVJWYWCIYSJO-YPMHNXCESA-N 2 0 314.376 2.904 20 0 DFADRP Cn1c2ccc(Cl)cc2nc1C[NH2+]C[C@H]1CCC[C@@H]([NH3+])C1 ZINC000414994874 295845000 /nfs/dbraw/zinc/84/50/00/295845000.db2.gz DXSCVJVTESRERD-WCQYABFASA-N 2 0 306.841 2.834 20 0 DFADRP COc1cccc(C[NH2+]C[C@H]2CCC[C@H]([NH3+])C2)c1OC(F)F ZINC000414995553 295845053 /nfs/dbraw/zinc/84/50/53/295845053.db2.gz NLZBRSFKCJTDNS-AAEUAGOBSA-N 2 0 314.376 2.904 20 0 DFADRP COc1ccc(C[C@H](C)[NH2+][C@@H]2C[C@H]2C2CC[NH2+]CC2)cc1OC ZINC000415001039 295845924 /nfs/dbraw/zinc/84/59/24/295845924.db2.gz BYZXCZPCMULXJH-RRQGHBQHSA-N 2 0 318.461 2.613 20 0 DFADRP CCOC(=O)[C@@H]1CC[C@H]([NH2+]CC[C@@H]2CCC[N@H+](C)C2)C[C@H]1C ZINC000459781797 299191344 /nfs/dbraw/zinc/19/13/44/299191344.db2.gz MMGHIHDVZUCIDI-LTIDMASMSA-N 2 0 310.482 2.676 20 0 DFADRP [NH3+][C@@H]1CCC[C@@H](C[NH2+]C2CCN(CCc3ccccc3)CC2)C1 ZINC000414999616 295845857 /nfs/dbraw/zinc/84/58/57/295845857.db2.gz JKVUBEKRVCPFJD-RTBURBONSA-N 2 0 315.505 2.801 20 0 DFADRP C[C@H]1CCc2nc(C[NH2+][C@@H]3C[C@H]3C3CC[NH2+]CC3)sc2C1 ZINC000415007084 295846804 /nfs/dbraw/zinc/84/68/04/295846804.db2.gz LDYNEHDLPJZXHH-CORIIIEPSA-N 2 0 305.491 2.746 20 0 DFADRP C[C@H](CCCC[NH3+])[NH2+]Cc1ccc(OC[C@H]2CCCO2)cc1 ZINC000415017232 295847615 /nfs/dbraw/zinc/84/76/15/295847615.db2.gz RQXAIESRTJUULK-CRAIPNDOSA-N 2 0 306.450 2.852 20 0 DFADRP COc1cc(C[NH2+][C@@H]2C[C@H]2C2CC[NH2+]CC2)ccc1SC ZINC000415013802 295847286 /nfs/dbraw/zinc/84/72/86/295847286.db2.gz VTGOJDFDPARTJR-LSDHHAIUSA-N 2 0 306.475 2.895 20 0 DFADRP COc1ccc(OC(F)F)c(C[NH2+][C@H]2CC[C@H](C[NH3+])C2)c1 ZINC000415029158 295848879 /nfs/dbraw/zinc/84/88/79/295848879.db2.gz DJRCUDLUIOSVIU-JQWIXIFHSA-N 2 0 300.349 2.514 20 0 DFADRP c1ccc(CC[C@@H]2CCC[C@@H]2[NH2+]C[C@@H]2C[NH2+]CCCO2)cc1 ZINC000415030443 295848935 /nfs/dbraw/zinc/84/89/35/295848935.db2.gz CKRCIVDUSSMTOX-FHWLQOOXSA-N 2 0 302.462 2.756 20 0 DFADRP Cn1cc(C[NH2+]C[C@H]2CC[C@H](C[NH3+])CC2)c(-c2ccccc2)n1 ZINC000415024841 295848157 /nfs/dbraw/zinc/84/81/57/295848157.db2.gz OIZILGJKJFVURX-WKILWMFISA-N 2 0 312.461 2.942 20 0 DFADRP CC(C)[C@H](C[NH2+]C[C@H](C)Cc1ccccc1)N1CC[NH+](C)CC1 ZINC000182051939 199380151 /nfs/dbraw/zinc/38/01/51/199380151.db2.gz VOGKMELXGBOEKX-QUCCMNQESA-N 2 0 317.521 2.727 20 0 DFADRP C[C@@](O)(C[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1)c1ccccc1 ZINC000173600707 198231885 /nfs/dbraw/zinc/23/18/85/198231885.db2.gz UZUZANBMSBKTQA-IEBWSBKVSA-N 2 0 302.462 2.702 20 0 DFADRP C[C@H]([NH2+]CCc1ccccc1OC(F)(F)F)[C@H]1CC[NH2+]C1 ZINC000415078876 295855174 /nfs/dbraw/zinc/85/51/74/295855174.db2.gz HBZPNEMUTPIEPI-AAEUAGOBSA-N 2 0 302.340 2.715 20 0 DFADRP C[C@@H]([NH2+]C[C@H]1CC[NH2+][C@H](C)C1)c1cccc(N2CCCC2=O)c1 ZINC000415077344 295855080 /nfs/dbraw/zinc/85/50/80/295855080.db2.gz DSSUMTYADOAFOG-OAGGEKHMSA-N 2 0 315.461 2.852 20 0 DFADRP C[C@@H]([NH2+]CCCc1nc(-c2ccncc2)cs1)[C@@H]1CC[NH2+]C1 ZINC000415084390 295855831 /nfs/dbraw/zinc/85/58/31/295855831.db2.gz PAXNCELXSJYALV-UKRRQHHQSA-N 2 0 316.474 2.725 20 0 DFADRP C[C@]1(C[NH2+][C@H]2CCCN(c3ccccc3Cl)C2)CC[NH2+]C1 ZINC000415083520 295855879 /nfs/dbraw/zinc/85/58/79/295855879.db2.gz NMKLTRHIPUYWEB-YOEHRIQHSA-N 2 0 307.869 2.898 20 0 DFADRP Cc1cc(C)n(-c2ccccc2C[NH2+]C[C@H]2CC[NH2+][C@H](C)C2)n1 ZINC000415081425 295855478 /nfs/dbraw/zinc/85/54/78/295855478.db2.gz BVJZUJAINPXZDY-PBHICJAKSA-N 2 0 312.461 2.967 20 0 DFADRP CC1CCN(c2ccc(C[NH2+]C3CCC(C[NH3+])CC3)cn2)CC1 ZINC000415079955 295855488 /nfs/dbraw/zinc/85/54/88/295855488.db2.gz INGQWWZJHFCXGZ-UHFFFAOYSA-N 2 0 316.493 2.925 20 0 DFADRP CC1CCN(c2ccc(C[NH2+]C[C@@H]3CC[NH2+][C@H](C)C3)cn2)CC1 ZINC000415080129 295855659 /nfs/dbraw/zinc/85/56/59/295855659.db2.gz IVUMVVAKOIHPFO-IAGOWNOFSA-N 2 0 316.493 2.796 20 0 DFADRP Fc1ccc(C[NH+]2CCC(OCC[NH+]3CCCC3)CC2)cc1 ZINC000173953553 198271756 /nfs/dbraw/zinc/27/17/56/198271756.db2.gz MDAVKLBUJYXUMC-UHFFFAOYSA-N 2 0 306.425 2.903 20 0 DFADRP C[C@H]1C[C@H](C[NH2+]Cc2cc(Cl)c3c(c2)OCCO3)CC[NH2+]1 ZINC000415089887 295856760 /nfs/dbraw/zinc/85/67/60/295856760.db2.gz YLETYNCCYBZUCJ-NWDGAFQWSA-N 2 0 310.825 2.589 20 0 DFADRP C[NH+](C)CCC1CCN(C(=O)c2cccc(C[NH+](C)C)c2)CC1 ZINC000073643211 398692251 /nfs/dbraw/zinc/69/22/51/398692251.db2.gz VOSSMZOMUQWBEI-UHFFFAOYSA-N 2 0 317.477 2.552 20 0 DFADRP [NH3+][C@@H]1CCCO[C@H]1C1CC[NH+](Cc2ccc3c(c2)CCC3)CC1 ZINC000415104128 295858704 /nfs/dbraw/zinc/85/87/04/295858704.db2.gz GOGOHFNRAQDQKF-UXHICEINSA-N 2 0 314.473 2.894 20 0 DFADRP Cc1cc(C[NH+]2CCC([C@H]3OCCC[C@@H]3[NH3+])CC2)ccc1F ZINC000415111241 295859397 /nfs/dbraw/zinc/85/93/97/295859397.db2.gz QJFJVJPOZLGQMW-ZWKOTPCHSA-N 2 0 306.425 2.852 20 0 DFADRP CC[NH+]1CCN(c2ccc(NC[C@@H]3CCC[NH2+]C3)c(C)c2)CC1 ZINC000415118842 295860429 /nfs/dbraw/zinc/86/04/29/295860429.db2.gz JZTLHHMASQHTEN-QGZVFWFLSA-N 2 0 316.493 2.548 20 0 DFADRP COc1cc(C[NH+]2CCC([C@H]3C[C@@H]([NH3+])CCO3)CC2)ccc1C ZINC000415127257 295861797 /nfs/dbraw/zinc/86/17/97/295861797.db2.gz QQMNJLYCBQTTRX-PKOBYXMFSA-N 2 0 318.461 2.722 20 0 DFADRP CC[N@@H+]1CC[C@@H]([NH+](C)CCC(=O)Nc2ccccc2)[C@H](C)C1 ZINC000174775046 198383701 /nfs/dbraw/zinc/38/37/01/198383701.db2.gz NWKXCALNYZPIGD-NVXWUHKLSA-N 2 0 303.450 2.677 20 0 DFADRP CC(C)C[NH+]1CCC(NC(=O)[C@@H](C)[C@H]([NH3+])c2ccccc2)CC1 ZINC000236771510 202001188 /nfs/dbraw/zinc/00/11/88/202001188.db2.gz OJQYBYDLEFJGJC-YJBOKZPZSA-N 2 0 317.477 2.559 20 0 DFADRP CCC[NH+]1CCC(CNC(=O)[C@H](C)[C@H]([NH3+])c2ccccc2)CC1 ZINC000236771153 202001629 /nfs/dbraw/zinc/00/16/29/202001629.db2.gz RELXAYCVJYRICI-QAPCUYQASA-N 2 0 317.477 2.561 20 0 DFADRP C[C@H]1CCC[N@H+](Cc2ccc(NC(=O)[C@@H]3CC[NH+](C)C3)cc2)C1 ZINC000591096319 398726819 /nfs/dbraw/zinc/72/68/19/398726819.db2.gz CVAASAKSJYSBAU-DOTOQJQBSA-N 2 0 315.461 2.809 20 0 DFADRP CC[C@H]1CCCCN1C(=O)[C@H](C)[N@H+](C)CCCn1ccnc1C ZINC000130743070 283059252 /nfs/dbraw/zinc/05/92/52/283059252.db2.gz XIQQLRSCOXTOTP-RDJZCZTQSA-N 2 0 320.481 2.693 20 0 DFADRP CCCN(CC[NH+](CC)CC)C(=O)Nc1ccccc1C[NH2+]C ZINC000415926817 295902870 /nfs/dbraw/zinc/90/28/70/295902870.db2.gz VOYXNDHAVLEUCG-UHFFFAOYSA-N 2 0 320.481 2.992 20 0 DFADRP CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@H]2CC[NH2+]C3(CCC3)C2)C[C@@H]1C ZINC000591282626 398745542 /nfs/dbraw/zinc/74/55/42/398745542.db2.gz HUUABTLMQYOZSP-YHUYYLMFSA-N 2 0 308.466 2.619 20 0 DFADRP C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCC[N@H+](CCn2ccnc2)C1 ZINC000132066234 283109092 /nfs/dbraw/zinc/10/90/92/283109092.db2.gz TVPFOVOQMBNWCQ-LSDHHAIUSA-N 2 0 322.453 2.508 20 0 DFADRP CSC[C@](C)(O)C[NH2+]CC(C)(C)C[N@H+](C)Cc1ccccc1 ZINC000080204060 192012386 /nfs/dbraw/zinc/01/23/86/192012386.db2.gz LKPJTIUFFYQRQU-GOSISDBHSA-N 2 0 324.534 2.848 20 0 DFADRP CC[NH+](CC)CC1CC[NH+](CC(=O)N2C[C@@H](C)C[C@H](C)C2)CC1 ZINC000047977833 398767214 /nfs/dbraw/zinc/76/72/14/398767214.db2.gz GVHHRZABLJNWTK-IRXDYDNUSA-N 2 0 323.525 2.545 20 0 DFADRP CC[NH+](CC)CC1CC[NH+](CC(=O)N2[C@H](C)CCC[C@@H]2C)CC1 ZINC000047973884 398767021 /nfs/dbraw/zinc/76/70/21/398767021.db2.gz DANCHUNHHGYEQV-CALCHBBNSA-N 2 0 323.525 2.830 20 0 DFADRP CC1CC[NH+](CCCCNC(=O)[C@@H]2C[C@@H]3CCCC[C@@H]3[NH2+]2)CC1 ZINC000236841227 202034231 /nfs/dbraw/zinc/03/42/31/202034231.db2.gz CDAGZPQVRDFXTI-BZSNNMDCSA-N 2 0 321.509 2.535 20 0 DFADRP CC[NH+](CC)[C@H](CNC(=O)[C@]1(C)CCC[NH2+]C1)c1ccccc1 ZINC000236886881 202052358 /nfs/dbraw/zinc/05/23/58/202052358.db2.gz HCFHWTFCBDXETO-IEBWSBKVSA-N 2 0 317.477 2.575 20 0 DFADRP C[C@H]([NH2+]Cc1ccc(OCCC[NH+](C)C)cc1)C1CCOCC1 ZINC000134481784 283188912 /nfs/dbraw/zinc/18/89/12/283188912.db2.gz DBAGXENBDRMIRB-INIZCTEOSA-N 2 0 320.477 2.922 20 0 DFADRP CCC[NH+]1CCC([NH2+]CCc2ccc(OC)c(OC)c2)CC1 ZINC000120358340 398781385 /nfs/dbraw/zinc/78/13/85/398781385.db2.gz JNMZNICNHKBFIW-UHFFFAOYSA-N 2 0 306.450 2.710 20 0 DFADRP CCC[C@@H]1[C@H](C)CCC[N@@H+]1CC(=O)NC1CC[NH+](C(C)C)CC1 ZINC000464729278 299246481 /nfs/dbraw/zinc/24/64/81/299246481.db2.gz DIJMYPDNDKXXPU-SJLPKXTDSA-N 2 0 323.525 2.876 20 0 DFADRP CCCc1ccc(C[NH2+]C[C@@H](C)CN2CC[NH+](C)CC2)cc1 ZINC000591700535 398781903 /nfs/dbraw/zinc/78/19/03/398781903.db2.gz JPBBTPJCNKACEJ-QGZVFWFLSA-N 2 0 303.494 2.612 20 0 DFADRP CC[C@H](C)[C@H]([NH3+])C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000236909568 202066085 /nfs/dbraw/zinc/06/60/85/202066085.db2.gz WIUQGLOXSRNGRW-ONIAQPFYSA-N 2 0 317.477 2.529 20 0 DFADRP CCN1CC[NH+](CCCC[NH2+]Cc2cccc3[nH]ccc32)CC1 ZINC000236939692 202083478 /nfs/dbraw/zinc/08/34/78/202083478.db2.gz DURZYTMJJOFMKQ-UHFFFAOYSA-N 2 0 314.477 2.675 20 0 DFADRP CCC[C@H]([NH3+])C(=O)Nc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000236948002 202088145 /nfs/dbraw/zinc/08/81/45/202088145.db2.gz WCZYGMDGVACBEH-PBHICJAKSA-N 2 0 303.450 2.984 20 0 DFADRP CCC[C@@H]([NH3+])C(=O)NC[C@H](c1cccs1)[NH+]1CCC(C)CC1 ZINC000236954148 202091212 /nfs/dbraw/zinc/09/12/12/202091212.db2.gz ISRLTRDSLSNRKQ-HUUCEWRRSA-N 2 0 323.506 2.765 20 0 DFADRP CCC[C@@H]([NH3+])C(=O)NCc1ccc(C[NH+]2CCC(C)CC2)cc1 ZINC000236969543 202101715 /nfs/dbraw/zinc/10/17/15/202101715.db2.gz AQKMQOLACSENAA-GOSISDBHSA-N 2 0 317.477 2.662 20 0 DFADRP CCC[C@@H]([NH3+])C(=O)NCc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000236969603 202101802 /nfs/dbraw/zinc/10/18/02/202101802.db2.gz WEXSXYWPBZCWFZ-GOSISDBHSA-N 2 0 317.477 2.806 20 0 DFADRP CC[C@H](C)[C@H]([NH3+])C(=O)NC[C@H](c1ccccc1)[NH+](CC)CC ZINC000237037543 202131459 /nfs/dbraw/zinc/13/14/59/202131459.db2.gz BDWUREOBVUQZRN-UAGQMJEPSA-N 2 0 305.466 2.559 20 0 DFADRP CCC[NH+]1CCC(NC[C@@H](Cc2ccccc2)[NH+](C)C)CC1 ZINC000121646442 398788406 /nfs/dbraw/zinc/78/84/06/398788406.db2.gz SNXMKVFBXVRQLP-LJQANCHMSA-N 2 0 303.494 2.623 20 0 DFADRP CC[NH2+]Cc1ccccc1NC(=O)C[C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000237053156 202136292 /nfs/dbraw/zinc/13/62/92/202136292.db2.gz IYYNDKOJLARWGV-CABCVRRESA-N 2 0 303.450 2.760 20 0 DFADRP CC[NH2+]Cc1ccccc1NC(=O)C[C@H](C)C1CC[NH2+]CC1 ZINC000237054369 202137827 /nfs/dbraw/zinc/13/78/27/202137827.db2.gz RHYRERONHPVCSU-AWEZNQCLSA-N 2 0 303.450 2.760 20 0 DFADRP C[NH+](C)Cc1cccc(NC(=O)CC2C[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC000237074412 202144775 /nfs/dbraw/zinc/14/47/75/202144775.db2.gz SDAFDGNUSQZKHP-ZXFUBFMLSA-N 2 0 301.434 2.607 20 0 DFADRP C[N@H+](Cc1ccccc1CNC(=O)C1([NH3+])CC1)C1CCCCC1 ZINC000237151053 202168831 /nfs/dbraw/zinc/16/88/31/202168831.db2.gz UZYINQWOCSLHSR-UHFFFAOYSA-N 2 0 315.461 2.559 20 0 DFADRP CC[N@@H+]1CC[C@H]([NH2+]CCc2cc(OC)ccc2OC)[C@H](C)C1 ZINC000177955924 198794481 /nfs/dbraw/zinc/79/44/81/198794481.db2.gz PJYPKWUNIGHRPC-PBHICJAKSA-N 2 0 306.450 2.566 20 0 DFADRP C[NH+](C)[C@H](CNC(=O)C[C@@H]([NH3+])c1ccccc1)C1CCCCC1 ZINC000237192382 202183141 /nfs/dbraw/zinc/18/31/41/202183141.db2.gz QMPUFTRTQIHCBF-QZTJIDSGSA-N 2 0 317.477 2.703 20 0 DFADRP CC[NH+]1CCN(CCC[NH2+]CCc2ccc(C(C)C)cc2)CC1 ZINC000139073691 283258856 /nfs/dbraw/zinc/25/88/56/283258856.db2.gz RPVHKHLSBWHHPT-UHFFFAOYSA-N 2 0 317.521 2.970 20 0 DFADRP C[C@@H]1C[C@@H]([NH3+])CC[N@@H+]1CCOc1ccc(Br)cc1 ZINC000124531378 398803629 /nfs/dbraw/zinc/80/36/29/398803629.db2.gz URRMDVRGWFCZEP-YPMHNXCESA-N 2 0 313.239 2.640 20 0 DFADRP COC(=O)c1ccc2c(c1)[C@@H]([NH2+]C[C@H]1CCC[N@H+](C)C1)CCC2 ZINC000594494468 398808965 /nfs/dbraw/zinc/80/89/65/398808965.db2.gz GOAUKYYGCARXBA-KDOFPFPSSA-N 2 0 316.445 2.782 20 0 DFADRP COC(=O)c1ccc2c(c1)[C@H]([NH2+]CC1CC[NH+](C)CC1)CCC2 ZINC000594496073 398809692 /nfs/dbraw/zinc/80/96/92/398809692.db2.gz YXGPZCFRYKLWOM-GOSISDBHSA-N 2 0 316.445 2.782 20 0 DFADRP CC(C)[N@H+](C)CC(=O)N[C@@H](C[NH+]1CCCCC1)c1ccccc1 ZINC000075630622 398813960 /nfs/dbraw/zinc/81/39/60/398813960.db2.gz JRMBNVXNYLPCJA-SFHVURJKSA-N 2 0 317.477 2.670 20 0 DFADRP COC(=O)c1cc(C[NH2+]CCCC[N@@H+]2CCC[C@H](C)C2)c(C)o1 ZINC000594599579 398828194 /nfs/dbraw/zinc/82/81/94/398828194.db2.gz HMYCDWAVPUHZLJ-AWEZNQCLSA-N 2 0 322.449 2.976 20 0 DFADRP C[NH+]1CCC(NC2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)CC1 ZINC000180105226 199117332 /nfs/dbraw/zinc/11/73/32/199117332.db2.gz NVBLADOBARAGBM-IHWFROFDSA-N 2 0 313.489 2.866 20 0 DFADRP CC[C@](C)(O)C[NH2+][C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000180164533 199124999 /nfs/dbraw/zinc/12/49/99/199124999.db2.gz RTVHIXHQPCSCDJ-OKYOBFRVSA-N 2 0 302.462 2.648 20 0 DFADRP CC[C@@H]([NH3+])C(=O)NCc1ccccc1C[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000130321766 398843879 /nfs/dbraw/zinc/84/38/79/398843879.db2.gz RFMXQEBOQLZMEN-IIDMSEBBSA-N 2 0 317.477 2.518 20 0 DFADRP COC(=O)c1ccc(C[NH+]2CCC([C@H]3CCC[NH2+]C3)CC2)cc1 ZINC000594736040 398852364 /nfs/dbraw/zinc/85/23/64/398852364.db2.gz OCOGJDPXZBEGCZ-SFHVURJKSA-N 2 0 316.445 2.685 20 0 DFADRP COc1cc(CNC2CC[NH+](C3CCCCC3)CC2)ccn1 ZINC000131678013 398852858 /nfs/dbraw/zinc/85/28/58/398852858.db2.gz GFWMQIGJEJDNGI-UHFFFAOYSA-N 2 0 303.450 2.977 20 0 DFADRP CC(C)[N@@H+]1CC[C@@H](CNC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000076519389 398859314 /nfs/dbraw/zinc/85/93/14/398859314.db2.gz XZJBMVXSYDLJKT-IBGZPJMESA-N 2 0 315.505 2.971 20 0 DFADRP COC(=O)[C@@H]1C[C@H]1[C@H](C)[NH2+]Cc1cccc(C[NH+]2CCCC2)c1 ZINC000594915399 398870430 /nfs/dbraw/zinc/87/04/30/398870430.db2.gz TUSLICCFIUWICA-JCGIZDLHSA-N 2 0 316.445 2.570 20 0 DFADRP COC(=O)[C@@H]1C[C@@H]1[C@H](C)[NH2+]Cc1cccc(C[NH+]2CCCC2)c1 ZINC000594915397 398870469 /nfs/dbraw/zinc/87/04/69/398870469.db2.gz TUSLICCFIUWICA-BMGDILEWSA-N 2 0 316.445 2.570 20 0 DFADRP COC(=O)[C@@H]1C[C@H]1[C@H](C)[NH2+]Cc1cccc(C[N@H+](C)C(C)C)c1 ZINC000594917026 398870491 /nfs/dbraw/zinc/87/04/91/398870491.db2.gz FXVOWDWNZDFFLR-JCGIZDLHSA-N 2 0 318.461 2.814 20 0 DFADRP C[C@@H]1C[NH+](CCCC[NH2+]Cc2ccc3c[nH]nc3c2)C[C@@H](C)O1 ZINC000237404565 202256641 /nfs/dbraw/zinc/25/66/41/202256641.db2.gz VPMOIJXIFKRMFX-HUUCEWRRSA-N 2 0 316.449 2.542 20 0 DFADRP CCO[C@H](CC[NH+](C)C)C[NH2+]Cc1ccc(OCC2CC2)cc1 ZINC000276633006 213013312 /nfs/dbraw/zinc/01/33/12/213013312.db2.gz OPHQGPBJERHTMU-LJQANCHMSA-N 2 0 320.477 2.922 20 0 DFADRP CC1(C)CC(NC(=O)N[C@@H](C[NH3+])C2CCCCC2)CC(C)(C)[NH2+]1 ZINC000416792911 295972549 /nfs/dbraw/zinc/97/25/49/295972549.db2.gz MQGHTDXEEAEBPT-HNNXBMFYSA-N 2 0 324.513 2.502 20 0 DFADRP C[C@@H](C[N@H+](C)CCN(C)C1CC[NH+](C)CC1)c1ccccc1 ZINC000180946097 199231974 /nfs/dbraw/zinc/23/19/74/199231974.db2.gz PGPFZZKCZWPNQH-KRWDZBQOSA-N 2 0 303.494 2.748 20 0 DFADRP CC[NH+]1CCN([C@H]2CC[N@H+](CCCc3cccc(C)c3)C2)CC1 ZINC000181103603 199252894 /nfs/dbraw/zinc/25/28/94/199252894.db2.gz BYHFDIPWULYVEP-FQEVSTJZSA-N 2 0 315.505 2.639 20 0 DFADRP CC(C)[NH+]1CCC([NH2+]C2CCC(O)(c3cccnc3)CC2)CC1 ZINC000186359243 199948268 /nfs/dbraw/zinc/94/82/68/199948268.db2.gz LLIAPSMEMGXKKP-UHFFFAOYSA-N 2 0 317.477 2.674 20 0 DFADRP CCCC[N@H+](C)CC1CC[NH+](CCCc2cnn(C)c2)CC1 ZINC000054337441 398896449 /nfs/dbraw/zinc/89/64/49/398896449.db2.gz VWJMVDZOJNKHNM-UHFFFAOYSA-N 2 0 306.498 2.797 20 0 DFADRP CCOC1CCC([NH2+]CC2(SC)CC[NH+](C)CC2)CC1 ZINC000595052709 398897727 /nfs/dbraw/zinc/89/77/27/398897727.db2.gz UBRJIFGIHLSUPM-UHFFFAOYSA-N 2 0 300.512 2.751 20 0 DFADRP COC(=O)c1coc([C@@H](C)[NH2+]CC2CC[NH+](CC3CC3)CC2)c1 ZINC000595102456 398905548 /nfs/dbraw/zinc/90/55/48/398905548.db2.gz IEEIOZREMFIRMT-CYBMUJFWSA-N 2 0 320.433 2.839 20 0 DFADRP C[NH+]1CCC(O)(C[NH2+]Cc2cccc(-c3ccccc3)c2)CC1 ZINC000077450463 398904490 /nfs/dbraw/zinc/90/44/90/398904490.db2.gz OCBVSCDOLQIFNU-UHFFFAOYSA-N 2 0 310.441 2.900 20 0 DFADRP C[N@@H+]1CC[C@H]([NH2+]CC2(C(=O)OC(C)(C)C)CCC2)[C@@H]2CCC[C@@H]21 ZINC000595098122 398904658 /nfs/dbraw/zinc/90/46/58/398904658.db2.gz AUCJZVWRIQIZAG-JYJNAYRXSA-N 2 0 322.493 2.961 20 0 DFADRP COCCC[NH+]1CCC([NH2+][C@@H](C)Cc2ccccc2F)CC1 ZINC000187931640 200178135 /nfs/dbraw/zinc/17/81/35/200178135.db2.gz OBOZPVWSPQWSJK-HNNXBMFYSA-N 2 0 308.441 2.847 20 0 DFADRP C[C@H]1C[C@@H]1c1ccc(C[NH2+]C2CCN(CC[NH+](C)C)CC2)o1 ZINC000237562135 202284477 /nfs/dbraw/zinc/28/44/77/202284477.db2.gz HOMQMWMYTDNSHW-YOEHRIQHSA-N 2 0 305.466 2.519 20 0 DFADRP C[C@@H]1C[N@@H+](CCCC[NH2+]Cc2ccc3c[nH]nc3c2)C[C@H](C)O1 ZINC000237610016 202302511 /nfs/dbraw/zinc/30/25/11/202302511.db2.gz VPMOIJXIFKRMFX-GASCZTMLSA-N 2 0 316.449 2.542 20 0 DFADRP C[C@@H](C(=O)NCC[NH2+]C1CCCCCC1)[C@H]([NH3+])c1ccccc1 ZINC000237707557 202333502 /nfs/dbraw/zinc/33/35/02/202333502.db2.gz YWOSDECRYGDDSU-QAPCUYQASA-N 2 0 317.477 2.751 20 0 DFADRP [NH3+][C@@H](CC(=O)N1CCC[C@@H]([NH+]2CCCC2)CC1)c1ccccc1 ZINC000237874067 202376191 /nfs/dbraw/zinc/37/61/91/202376191.db2.gz MNERGXUIQCEPTI-MSOLQXFVSA-N 2 0 315.461 2.553 20 0 DFADRP Cc1ccc([C@H](CNC(=O)C2([NH3+])CCCC2)[NH+]2CCCC2)cc1 ZINC000237915625 202390264 /nfs/dbraw/zinc/39/02/64/202390264.db2.gz IPEHYGSBBKLIRA-KRWDZBQOSA-N 2 0 315.461 2.520 20 0 DFADRP CCc1ccccc1C[N@H+](C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000188958337 200327491 /nfs/dbraw/zinc/32/74/91/200327491.db2.gz XXDRPWLFTFDXCY-INIZCTEOSA-N 2 0 304.478 2.774 20 0 DFADRP C[C@@H]([NH2+]C[C@H](O)C[NH+]1CCC(C)CC1)[C@@H]1C[C@H]1c1cccs1 ZINC000417317957 296009588 /nfs/dbraw/zinc/00/95/88/296009588.db2.gz XTASAHFVZWUFPP-LTIDMASMSA-N 2 0 322.518 2.923 20 0 DFADRP C[C@H](CNc1cc[nH+]c2cc(F)ccc12)C[NH+]1CCOCC1 ZINC000077995715 398933879 /nfs/dbraw/zinc/93/38/79/398933879.db2.gz NRCOXLVBEWYFLD-CYBMUJFWSA-N 2 0 303.381 2.754 20 0 DFADRP C[C@@H](NCC1([NH+](C)C)CC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000417356343 296013400 /nfs/dbraw/zinc/01/34/00/296013400.db2.gz PFVPUVGQLAZYEE-SJLPKXTDSA-N 2 0 301.478 2.581 20 0 DFADRP [NH3+]C[C@@H](Cc1ccccc1)[C@@H]1CCCC[N@@H+]1CCn1cccn1 ZINC000471835190 299309072 /nfs/dbraw/zinc/30/90/72/299309072.db2.gz UTUCBEBWTZCZPY-MOPGFXCFSA-N 2 0 312.461 2.555 20 0 DFADRP [NH3+]C[C@H](Cc1ccccc1)[C@H]1CCCCN1C[C@@H]1CCC[NH2+]C1 ZINC000471848529 299309734 /nfs/dbraw/zinc/30/97/34/299309734.db2.gz QPKWFXSZSIQJHE-HSALFYBXSA-N 2 0 315.505 2.658 20 0 DFADRP C[C@@]1(O)C[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC000417392409 296016339 /nfs/dbraw/zinc/01/63/39/296016339.db2.gz BJJNMTBDNFIRNK-GOHLOMJBSA-N 2 0 300.446 2.685 20 0 DFADRP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+][C@H]2C[C@@](C)(O)C2)CC1 ZINC000417400476 296017034 /nfs/dbraw/zinc/01/70/34/296017034.db2.gz KBNAVYLBHOEFBT-LZQZEXGQSA-N 2 0 302.462 2.585 20 0 DFADRP CC[NH+](CC)CCC[N@@H+]1CC[C@@H](C(=O)N(C)c2ccccc2)C1 ZINC000281251069 216186365 /nfs/dbraw/zinc/18/63/65/216186365.db2.gz UZHRRCOCGZKDPR-QGZVFWFLSA-N 2 0 317.477 2.703 20 0 DFADRP [NH3+]C[C@H](Cc1ccccc1)[C@@H]1CCCC[N@@H+]1C[C@@H]1CCOC1 ZINC000471872718 299312048 /nfs/dbraw/zinc/31/20/48/299312048.db2.gz RALMXKHWTURQFE-FHWLQOOXSA-N 2 0 302.462 2.695 20 0 DFADRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+]Cc1cccc2ccccc21 ZINC000193155972 201000958 /nfs/dbraw/zinc/00/09/58/201000958.db2.gz ZWWIGGYQRVOWTJ-QGZVFWFLSA-N 2 0 311.473 2.955 20 0 DFADRP Cn1cc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)c(-c2ccccc2)n1 ZINC000193277958 201018470 /nfs/dbraw/zinc/01/84/70/201018470.db2.gz SJDKSECPDZVIBE-AYHJJNSGSA-N 2 0 310.445 2.802 20 0 DFADRP C[N@H+](CCC[NH+]1CCCC1)CCC(=O)Nc1cccc(F)c1 ZINC000281453623 216310395 /nfs/dbraw/zinc/31/03/95/216310395.db2.gz UUBXWQIBYULSLG-UHFFFAOYSA-N 2 0 307.413 2.572 20 0 DFADRP C[C@H](C(=O)N(C)c1ccccc1)[NH+]1CCC(CC[NH+](C)C)CC1 ZINC000056523546 398976871 /nfs/dbraw/zinc/97/68/71/398976871.db2.gz SFDHNMFTARTVTR-MRXNPFEDSA-N 2 0 317.477 2.702 20 0 DFADRP COc1cc(C[NH2+]CC2=CC[N@H+](C)CC2)ccc1OC(F)F ZINC000271871339 209284263 /nfs/dbraw/zinc/28/42/63/209284263.db2.gz XTXVSEPZTJPUFW-UHFFFAOYSA-N 2 0 312.360 2.648 20 0 DFADRP CCOC(=O)c1[nH]c(C)c(C[N@H+](C)[C@@H]2CCN(C)C[C@@H]2C)c1C ZINC000600167108 398983284 /nfs/dbraw/zinc/98/32/84/398983284.db2.gz OOBXZZORVPTRRH-BLLLJJGKSA-N 2 0 321.465 2.580 20 0 DFADRP C[C@H](CC[NH2+]CCN1CCC([NH+](C)C)CC1)c1ccccc1 ZINC000194566392 201252162 /nfs/dbraw/zinc/25/21/62/201252162.db2.gz VREAENYBRUOZRJ-QGZVFWFLSA-N 2 0 303.494 2.796 20 0 DFADRP Cc1ccc(C[NH2+]C2CCN(CC[NH+](C)C)CC2)cc1Cl ZINC000195436974 201389139 /nfs/dbraw/zinc/38/91/39/201389139.db2.gz XMGYYJOFUMDYPH-UHFFFAOYSA-N 2 0 309.885 2.764 20 0 DFADRP [NH2+]=C(NCC1CC[NH+](Cc2ccccc2)CC1)NC1CCCC1 ZINC000195523162 201398780 /nfs/dbraw/zinc/39/87/80/201398780.db2.gz QNYIWDHUYMRMCY-UHFFFAOYSA-N 2 0 314.477 2.955 20 0 DFADRP Cc1ccc(NC(=O)C[C@H](C)[NH2+]CC2=CC[N@H+](C)CC2)c(C)c1 ZINC000271842308 209259237 /nfs/dbraw/zinc/25/92/37/209259237.db2.gz GXKCYGIVTOLKJN-INIZCTEOSA-N 2 0 315.461 2.872 20 0 DFADRP [NH3+]CCC[C@@H](NC(=O)CC1(C[NH3+])CCCCC1)c1ccccc1 ZINC000417824264 296054993 /nfs/dbraw/zinc/05/49/93/296054993.db2.gz BCSCCNRNCOGSPM-QGZVFWFLSA-N 2 0 317.477 2.882 20 0 DFADRP CCCC[N@@H+]1CCCC[C@H]1CNC(=O)CC[C@@H]1CCC[NH2+]C1 ZINC000621642037 399006144 /nfs/dbraw/zinc/00/61/44/399006144.db2.gz CDMFOQBAIYSXEK-IRXDYDNUSA-N 2 0 309.498 2.537 20 0 DFADRP C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)CC[C@H]1CCC[NH2+]C1 ZINC000621642337 399007744 /nfs/dbraw/zinc/00/77/44/399007744.db2.gz KVPNYCGMSXUXOS-IAGOWNOFSA-N 2 0 309.498 2.537 20 0 DFADRP C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)CC[C@H]2CCC[NH2+]C2)C1 ZINC000621642253 399007280 /nfs/dbraw/zinc/00/72/80/399007280.db2.gz JAGYUUMDOYJVFT-BRWVUGGUSA-N 2 0 323.525 2.639 20 0 DFADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)CC[C@@H]2CCC[NH2+]C2)C1 ZINC000621642980 399007451 /nfs/dbraw/zinc/00/74/51/399007451.db2.gz YUKOIHXNXMRIMS-KSZLIROESA-N 2 0 323.525 2.641 20 0 DFADRP C[C@H](CC[NH2+]C[C@@H](O)C[NH+]1CCC(C)CC1)c1ccccc1 ZINC000447822092 297318743 /nfs/dbraw/zinc/31/87/43/297318743.db2.gz PAOAXNRWQDXVQR-IEBWSBKVSA-N 2 0 304.478 2.863 20 0 DFADRP CC(C)[C@@H]([NH2+]C[C@H](C)CN1CC[NH+](C)CC1)c1ccccc1 ZINC000091320543 193039795 /nfs/dbraw/zinc/03/97/95/193039795.db2.gz PKWOFWXHUJRBIH-PKOBYXMFSA-N 2 0 303.494 2.857 20 0 DFADRP Cc1ccc([C@H]([NH2+]C[C@H](C)CN2CC[NH+](C)CC2)C2CC2)cc1 ZINC000091320350 193040605 /nfs/dbraw/zinc/04/06/05/193040605.db2.gz JNSTWEDSURRRAL-PXNSSMCTSA-N 2 0 315.505 2.919 20 0 DFADRP Cc1ccc([C@H]([NH2+]C[C@H](C)N2CC[NH+](C)CC2)C2CC2)cc1 ZINC000091333352 193042406 /nfs/dbraw/zinc/04/24/06/193042406.db2.gz GQHJXBLWHRNDIC-LPHOPBHVSA-N 2 0 301.478 2.672 20 0 DFADRP COC(=O)C[C@@H]1CC[C@H]([NH2+]C2CC[NH+](C(C)(C)C)CC2)[C@@H]1C ZINC000354124451 283857220 /nfs/dbraw/zinc/85/72/20/283857220.db2.gz KSUQYGLBRNQZPO-YCPHGPKFSA-N 2 0 310.482 2.817 20 0 DFADRP CCOc1cncc(CN2CCC[C@H]([NH+]3CCCC3)CC2)c1 ZINC000621717828 399043008 /nfs/dbraw/zinc/04/30/08/399043008.db2.gz PHYQHQKQRNBEOU-KRWDZBQOSA-N 2 0 303.450 2.931 20 0 DFADRP CC(C)c1ccc([C@H]([NH3+])CNC(=O)NC(C)(C)CCC[NH3+])cc1 ZINC000418349574 296087274 /nfs/dbraw/zinc/08/72/74/296087274.db2.gz KMTRLKFMCYXLAR-MRXNPFEDSA-N 2 0 320.481 2.627 20 0 DFADRP COc1ccc(F)c(C[NH2+]C2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000621733535 399055969 /nfs/dbraw/zinc/05/59/69/399055969.db2.gz PFSSUPKATUQFGH-UHFFFAOYSA-N 2 0 315.392 2.988 20 0 DFADRP CCC[C@H]([NH2+]C(C)C)C(=O)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000353937880 283919053 /nfs/dbraw/zinc/91/90/53/283919053.db2.gz FOZIYXKYWWQPED-IRXDYDNUSA-N 2 0 309.498 2.630 20 0 DFADRP Cn1cnc2cc(C[NH2+]CCCCC[NH+]3CCCC3)ccc21 ZINC000293035436 223362473 /nfs/dbraw/zinc/36/24/73/223362473.db2.gz QEXVVMHEJSRGSZ-UHFFFAOYSA-N 2 0 300.450 2.929 20 0 DFADRP COC(=O)[C@@H]1CC[N@H+](CC[C@@H]2CCC[NH+]2C)[C@H]2CCCC[C@@H]12 ZINC000595734609 399062103 /nfs/dbraw/zinc/06/21/03/399062103.db2.gz UJJJNDBLVFFCPO-NXOAAHMSSA-N 2 0 308.466 2.524 20 0 DFADRP Cc1cccc(C)c1C[NH+]1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000606433748 399068063 /nfs/dbraw/zinc/06/80/63/399068063.db2.gz JBUOXGYFGVRYCK-GOSISDBHSA-N 2 0 301.478 2.515 20 0 DFADRP CC(=O)N1CC[C@@H]([NH2+]CC2(C)CC[NH+](C)CC2)c2ccccc21 ZINC000621759206 399068503 /nfs/dbraw/zinc/06/85/03/399068503.db2.gz RJBJQBLQSCLWPI-QGZVFWFLSA-N 2 0 315.461 2.806 20 0 DFADRP Cc1nc(C)c(C[NH2+]CCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)s1 ZINC000172339284 399075623 /nfs/dbraw/zinc/07/56/23/399075623.db2.gz INPYVHYGKOAREY-BETUJISGSA-N 2 0 311.495 2.739 20 0 DFADRP CC1=CCC[C@H](C)[C@@H]1C[NH2+]C1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000479438462 299377615 /nfs/dbraw/zinc/37/76/15/299377615.db2.gz NXKJDFAKJJIZNU-JCHJZTRSSA-N 2 0 306.494 2.946 20 0 DFADRP C[C@H]([NH2+][C@@H]1CCC[C@@H]([NH+](C)C)C1)c1ccc([S@@](C)=O)cc1 ZINC000246993764 299377739 /nfs/dbraw/zinc/37/77/39/299377739.db2.gz JMWZRHKPNLLAQX-WRUKREGBSA-N 2 0 308.491 2.947 20 0 DFADRP C[NH+](C)CCN1CCC([NH2+][C@H](c2ccc(F)cc2)C2CC2)CC1 ZINC000271752986 209182117 /nfs/dbraw/zinc/18/21/17/209182117.db2.gz HZLQAXSDNPMHQR-IBGZPJMESA-N 2 0 319.468 2.892 20 0 DFADRP Clc1ccc(Cl)c(OCCN2C[C@H]3C[NH2+]C[C@H]3C2)c1 ZINC000479764060 299383880 /nfs/dbraw/zinc/38/38/80/299383880.db2.gz RLYIUFSCRUIBCE-PHIMTYICSA-N 2 0 301.217 2.523 20 0 DFADRP C[C@@H]([NH2+]CC1(O)CC[NH+](C)CC1)c1ccc(C(F)(F)F)cc1 ZINC000266807690 296119340 /nfs/dbraw/zinc/11/93/40/296119340.db2.gz UNDNGXVASMWIMP-GFCCVEGCSA-N 2 0 316.367 2.813 20 0 DFADRP [NH3+][C@H]1CCC[C@@H]([NH2+]C2CCC3(CC2)c2ccccc2NC3=O)C1 ZINC000333343535 284057072 /nfs/dbraw/zinc/05/70/72/284057072.db2.gz YQBKPTMPUQULAC-MLBPIDQTSA-N 2 0 313.445 2.679 20 0 DFADRP Cc1ccc(C[C@@H]([NH2+]C[C@@H](O)C[NH+]2CCCCC2)C(C)C)cc1 ZINC000481027770 299390752 /nfs/dbraw/zinc/39/07/52/299390752.db2.gz VMZHENVPSUOGBA-WOJBJXKFSA-N 2 0 318.505 2.999 20 0 DFADRP CC[C@H](C[NH+]1CCC[C@H]([N@@H+](C)C[C@H](CC)OC)CC1)OC ZINC000419247566 296129926 /nfs/dbraw/zinc/12/99/26/296129926.db2.gz XFZGZFCMKDCAEY-YESZJQIVSA-N 2 0 300.487 2.623 20 0 DFADRP Cc1ccc(C[NH2+]CCC[NH+]2CCCC2)c(-c2ccnn2C)c1 ZINC000338431054 284112126 /nfs/dbraw/zinc/11/21/26/284112126.db2.gz NXYNKXVMSRFYAU-UHFFFAOYSA-N 2 0 312.461 2.971 20 0 DFADRP CCOc1ccc(C[N@H+](C)CC2CC[NH+](C)CC2)cc1OC ZINC000093089311 193202478 /nfs/dbraw/zinc/20/24/78/193202478.db2.gz AXNWJTZPJNVARQ-UHFFFAOYSA-N 2 0 306.450 2.868 20 0 DFADRP CCC[C@](C)([NH3+])C(=O)NCc1ccccc1C[NH+](CC)CC ZINC000261922048 203153167 /nfs/dbraw/zinc/15/31/67/203153167.db2.gz IAJJSEURAZYKPR-SFHVURJKSA-N 2 0 305.466 2.662 20 0 DFADRP O=C(c1cc(F)ccc1F)C1CC[NH+](CC2CC[NH2+]CC2)CC1 ZINC000262151868 203213351 /nfs/dbraw/zinc/21/33/51/203213351.db2.gz GAEUZWILWDERCH-UHFFFAOYSA-N 2 0 322.399 2.859 20 0 DFADRP C[C@H]1CCC[N@H+](Cc2ccc(NC(=O)C[NH2+]CC3CC3)cc2)C1 ZINC000262653750 203366698 /nfs/dbraw/zinc/36/66/98/203366698.db2.gz BQMQUJMZZVXFOH-HNNXBMFYSA-N 2 0 315.461 2.857 20 0 DFADRP C[C@@H]([NH2+][C@@H](C)CN1CC[NH+](C)CC1)c1cc2c(s1)CCCC2 ZINC000154977014 296146767 /nfs/dbraw/zinc/14/67/67/296146767.db2.gz DYLQNTJYWZYDMN-LSDHHAIUSA-N 2 0 321.534 2.913 20 0 DFADRP COC(=O)c1cc(C[N@H+](CCC[NH3+])CC2CCCC2)cs1 ZINC000595895809 399126335 /nfs/dbraw/zinc/12/63/35/399126335.db2.gz VWUYIWSJQYEQAF-UHFFFAOYSA-N 2 0 310.463 2.876 20 0 DFADRP [NH3+]C1CCC([NH2+]Cc2cc(F)ccc2Br)CC1 ZINC000094087960 193344513 /nfs/dbraw/zinc/34/45/13/193344513.db2.gz GDUVBBQYAPXQQW-UHFFFAOYSA-N 2 0 301.203 2.948 20 0 DFADRP C[C@@H](C(=O)NCCC[NH2+]C1CCCCC1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000419909651 296151207 /nfs/dbraw/zinc/15/12/07/296151207.db2.gz MHMBIRKPTHAOIQ-XHSDSOJGSA-N 2 0 309.498 2.676 20 0 DFADRP COc1cc2c(cc1F)[nH+]ccc2N1CC[C@]2(CC[NH2+]C2)C1 ZINC000420227715 296163843 /nfs/dbraw/zinc/16/38/43/296163843.db2.gz JLSBWRRGIJTYNZ-KRWDZBQOSA-N 2 0 301.365 2.572 20 0 DFADRP CCOC(=O)c1oc2ccccc2c1C[NH+]1CCC(C[NH3+])CC1 ZINC000420265765 296167304 /nfs/dbraw/zinc/16/73/04/296167304.db2.gz BXQLOSAMKHYJJD-UHFFFAOYSA-N 2 0 316.401 2.780 20 0 DFADRP CCOc1cc2[nH+]ccc(N[C@H](C)[C@@H](C)[NH3+])c2cc1OCC ZINC000420274142 296168231 /nfs/dbraw/zinc/16/82/31/296168231.db2.gz YERSRILXEJKMTM-VXGBXAGGSA-N 2 0 303.406 2.602 20 0 DFADRP Cc1[nH]c2ccccc2c1C(=O)CN(C)CC[C@@H]([NH3+])C(C)C ZINC000420290011 296169770 /nfs/dbraw/zinc/16/97/70/296169770.db2.gz LDKCQHKNIGVCMP-OAHLLOKOSA-N 2 0 301.434 2.964 20 0 DFADRP CCc1ccccc1NC(=O)[C@H](C)N1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000420291921 296170058 /nfs/dbraw/zinc/17/00/58/296170058.db2.gz ONJBSNYDLWFYBT-IJEWVQPXSA-N 2 0 303.450 2.635 20 0 DFADRP C[C@@H]1CCCN(c2cc(NC[C@@H]3CCC[C@H]([NH3+])C3)ncn2)C1 ZINC000420293102 296170093 /nfs/dbraw/zinc/17/00/93/296170093.db2.gz XLGFRXPWGDIBMN-KFWWJZLASA-N 2 0 303.454 2.642 20 0 DFADRP C[C@@H](c1ccc(Cl)cc1)[N@H+](CCN1CC[NH2+]CC1)C1CC1 ZINC000420295339 296170453 /nfs/dbraw/zinc/17/04/53/296170453.db2.gz AAEOFYGCVIXAAO-AWEZNQCLSA-N 2 0 307.869 2.771 20 0 DFADRP CC(C)[C@H]([NH3+])CCN(C)[C@H](C)c1ncc(Br)cn1 ZINC000420291894 296170295 /nfs/dbraw/zinc/17/02/95/296170295.db2.gz OHSPPOLNKWHUDW-ZYHUDNBSSA-N 2 0 315.259 2.605 20 0 DFADRP c1cc2c(c([C@@H]3CCC[N@H+]3CC[C@H]3CCC[NH2+]C3)c1)OCCO2 ZINC000420298212 296171226 /nfs/dbraw/zinc/17/12/26/296171226.db2.gz HAWZTTPVYWVLMS-WBVHZDCISA-N 2 0 316.445 2.984 20 0 DFADRP C[C@@H](c1ccccc1)[N@H+](CCN1CC[NH2+]CC1)CC1CCC1 ZINC000420299885 296171228 /nfs/dbraw/zinc/17/12/28/296171228.db2.gz JQJWRQKXXPYKIR-KRWDZBQOSA-N 2 0 301.478 2.755 20 0 DFADRP CCCCCC(=O)NC1CC[NH+](CC[C@@H]2CCC[NH2+]C2)CC1 ZINC000420295719 296170697 /nfs/dbraw/zinc/17/06/97/296170697.db2.gz CMTHJWPIAWPTMS-INIZCTEOSA-N 2 0 309.498 2.537 20 0 DFADRP C[C@@H]1C[N@H+](CC[C@@H]2CCC[NH2+]C2)C[C@@H](c2ccc(F)cc2)O1 ZINC000420297184 296170871 /nfs/dbraw/zinc/17/08/71/296170871.db2.gz FRUPGCDTFINWRE-VKJFTORMSA-N 2 0 306.425 2.977 20 0 DFADRP Fc1ccc(OC2CC[NH+](CC[C@@H]3CC[NH2+]C3)CC2)c(F)c1 ZINC000420297432 296170996 /nfs/dbraw/zinc/17/09/96/296170996.db2.gz DIXKBHZHMUJIEY-ZDUSSCGKSA-N 2 0 310.388 2.808 20 0 DFADRP CCc1ccccc1NC(=O)[C@@H](C)[NH+]1CCC(CC[NH2+]C)CC1 ZINC000420300235 296171353 /nfs/dbraw/zinc/17/13/53/296171353.db2.gz CCNLXZHVIDWCKK-OAHLLOKOSA-N 2 0 317.477 2.898 20 0 DFADRP c1ccc2c(c1)cccc2CN1CC[NH+](CC[C@H]2CC[NH2+]C2)CC1 ZINC000420300785 296171812 /nfs/dbraw/zinc/17/18/12/296171812.db2.gz KNAKNRLXOHPXTG-GOSISDBHSA-N 2 0 323.484 2.957 20 0 DFADRP C[C@]1(C[NH3+])CCN(Cc2ccn(-c3ccc(Cl)cc3)n2)C1 ZINC000420310309 296172898 /nfs/dbraw/zinc/17/28/98/296172898.db2.gz GIJBAGXUCSTNIP-MRXNPFEDSA-N 2 0 304.825 2.696 20 0 DFADRP C[C@H]1c2cc3c(cc2C2(CCCC2)C[N@H+]1CCC[NH3+])OCCO3 ZINC000420303611 296172284 /nfs/dbraw/zinc/17/22/84/296172284.db2.gz KUIRXWHYLSNYDA-AWEZNQCLSA-N 2 0 316.445 2.995 20 0 DFADRP CCC[N@H+](CC[C@H]1CCC[NH2+]C1)C[C@@H]1COc2ccccc2O1 ZINC000420304215 296172307 /nfs/dbraw/zinc/17/23/07/296172307.db2.gz LGMVKKCVIBTQKE-IAGOWNOFSA-N 2 0 318.461 2.928 20 0 DFADRP OCC[N@H+](CC[C@H]1CCC[NH2+]C1)[C@@H]1CCCc2ccccc21 ZINC000420306586 296172447 /nfs/dbraw/zinc/17/24/47/296172447.db2.gz QLIBSLBCGLXTLK-VQIMIIECSA-N 2 0 302.462 2.748 20 0 DFADRP C[N@H+](CC[C@H]1CCC[NH2+]C1)[C@@H]1CCCN(c2ccccc2)C1=O ZINC000420306658 296172505 /nfs/dbraw/zinc/17/25/05/296172505.db2.gz QUJCVHRCIQIOBC-SJLPKXTDSA-N 2 0 315.461 2.504 20 0 DFADRP c1cc2c(c([C@H]3CCC[N@H+]3CC[C@@H]3CC[NH2+]C3)c1)OCCO2 ZINC000420305931 296172713 /nfs/dbraw/zinc/17/27/13/296172713.db2.gz QDSFFDLCLOSFSW-GOEBONIOSA-N 2 0 302.418 2.594 20 0 DFADRP COc1ccc([C@@H](C[NH3+])C[N@@H+]2CCCC[C@@H]2c2cn[nH]c2)cc1 ZINC000420307612 296173099 /nfs/dbraw/zinc/17/30/99/296173099.db2.gz BVVYNXCESDMPCH-MAUKXSAKSA-N 2 0 314.433 2.688 20 0 DFADRP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](CCOc3ccc(F)cc3Cl)C[C@H]21 ZINC000420310766 296173186 /nfs/dbraw/zinc/17/31/86/296173186.db2.gz QBTROGJMJIEBSS-UXIGCNINSA-N 2 0 312.816 2.917 20 0 DFADRP c1c2ccccc2[nH]c1[C@@H]1CCCC[N@H+]1CCN1CC[NH2+]CC1 ZINC000420310969 296173479 /nfs/dbraw/zinc/17/34/79/296173479.db2.gz VORTXGUVIDMAJL-IBGZPJMESA-N 2 0 312.461 2.600 20 0 DFADRP COc1ccc([C@@H](C[NH3+])CN(CCC[NH3+])CC2CCCC2)cc1 ZINC000420314823 296173761 /nfs/dbraw/zinc/17/37/61/296173761.db2.gz LNPGIJPDPKWOPR-SFHVURJKSA-N 2 0 319.493 2.579 20 0 DFADRP CCC[N@H+](CC[C@@H]1CC[NH2+]C1)C[C@H]1COc2ccccc2O1 ZINC000420315288 296173843 /nfs/dbraw/zinc/17/38/43/296173843.db2.gz LNLPYQLZWAKVKS-HOTGVXAUSA-N 2 0 304.434 2.538 20 0 DFADRP CC[N@H+](CC[C@H]1CC[NH2+]C1)CC1CCN(c2ccccn2)CC1 ZINC000420316682 296173964 /nfs/dbraw/zinc/17/39/64/296173964.db2.gz MCALBVXZCZJBQC-QGZVFWFLSA-N 2 0 316.493 2.620 20 0 DFADRP Clc1cccc(CN2CC[NH+](CC[C@H]3CCC[NH2+]C3)CC2)c1 ZINC000420307959 296172977 /nfs/dbraw/zinc/17/29/77/296172977.db2.gz RTGDPQJFGWSKEV-MRXNPFEDSA-N 2 0 321.896 2.847 20 0 DFADRP COC(=O)[C@H](c1cccc(Cl)c1)N1CCC[C@H](CC[NH3+])C1 ZINC000420309537 296173019 /nfs/dbraw/zinc/17/30/19/296173019.db2.gz LOAVNWSYXHGLKR-DOMZBBRYSA-N 2 0 310.825 2.615 20 0 DFADRP COc1ccc([C@@H](C[NH3+])C[N@H+](C)C2Cc3ccccc3C2)cc1 ZINC000420317784 296174083 /nfs/dbraw/zinc/17/40/83/296174083.db2.gz NYOZERUZSJLECY-SFHVURJKSA-N 2 0 310.441 2.837 20 0 DFADRP CCC[N@H+](CC[C@H]1CC[NH2+]C1)C[C@@H]1COc2ccccc2O1 ZINC000420315289 296174254 /nfs/dbraw/zinc/17/42/54/296174254.db2.gz LNLPYQLZWAKVKS-HZPDHXFCSA-N 2 0 304.434 2.538 20 0 DFADRP C[C@H](c1ccccc1Cl)[N@H+](CCN1CC[NH2+]CC1)C1CC1 ZINC000420321299 296174938 /nfs/dbraw/zinc/17/49/38/296174938.db2.gz REJFVXDMIVDWPL-CQSZACIVSA-N 2 0 307.869 2.771 20 0 DFADRP [NH3+][C@@H](Cc1ccccc1)[C@@H](O)C[N@@H+]1CCC[C@H]1Cc1ccccc1 ZINC000420322844 296174958 /nfs/dbraw/zinc/17/49/58/296174958.db2.gz SNMZYEMWFCLUOE-ACRUOGEOSA-N 2 0 324.468 2.624 20 0 DFADRP [NH3+][C@@H]1CCO[C@H]1C1CC[NH+](CCOc2ccc(Cl)cc2)CC1 ZINC000420324846 296175382 /nfs/dbraw/zinc/17/53/82/296175382.db2.gz HQXFKSKZNXPUAQ-SJORKVTESA-N 2 0 324.852 2.547 20 0 DFADRP [NH3+][C@@H]1CCO[C@H]1C1CC[NH+](CCOC2CCCCCC2)CC1 ZINC000420323827 296175425 /nfs/dbraw/zinc/17/54/25/296175425.db2.gz BNNHGCWSNIRZCF-MSOLQXFVSA-N 2 0 310.482 2.554 20 0 DFADRP c1ccc(COCCC[N@@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)cc1 ZINC000420321614 296174870 /nfs/dbraw/zinc/17/48/70/296174870.db2.gz DATHCDJWEDKJBK-RTBURBONSA-N 2 0 302.462 2.915 20 0 DFADRP C(C[N@@H+]1CCCC[C@@H]1c1nnc2n1CCCC2)[C@@H]1CCC[NH2+]C1 ZINC000420325392 296175673 /nfs/dbraw/zinc/17/56/73/296175673.db2.gz WAFJNYAIXYAYCA-JKSUJKDBSA-N 2 0 317.481 2.531 20 0 DFADRP COc1cccc(NC2CC[NH+](CC[C@@H]3CC[NH2+]C3)CC2)c1 ZINC000420326608 296175778 /nfs/dbraw/zinc/17/57/78/296175778.db2.gz XPXOOOAHRDIEJI-HNNXBMFYSA-N 2 0 303.450 2.571 20 0 DFADRP C[N@H+](Cc1c(-c2ccccc2)nc2ccccn21)C1CC([NH3+])C1 ZINC000420327464 296175975 /nfs/dbraw/zinc/17/59/75/296175975.db2.gz GKWVSBHCFFVIGW-UHFFFAOYSA-N 2 0 306.413 2.923 20 0 DFADRP CCc1ccccc1NC(=O)[C@H](C)[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000420342392 296177760 /nfs/dbraw/zinc/17/77/60/296177760.db2.gz QTAUGAZKGHMAJZ-BHYGNILZSA-N 2 0 315.461 2.507 20 0 DFADRP CCc1ccc(NC(=O)C[N@@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)cc1 ZINC000420343908 296177846 /nfs/dbraw/zinc/17/78/46/296177846.db2.gz RRIGSBAQUKIVKB-IRXDYDNUSA-N 2 0 315.461 2.509 20 0 DFADRP COc1ccc(OCCC[N@@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)cc1 ZINC000420344980 296178037 /nfs/dbraw/zinc/17/80/37/296178037.db2.gz VJRVAFLILJDPFA-IAGOWNOFSA-N 2 0 318.461 2.786 20 0 DFADRP Cc1cccc(NC(=O)C[N@@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)c1C ZINC000420346949 296178488 /nfs/dbraw/zinc/17/84/88/296178488.db2.gz ZMVASFRSLAUKMK-SJORKVTESA-N 2 0 315.461 2.563 20 0 DFADRP CC[C@@H]1CCCCN1C(=O)[C@H](C)[NH+]1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000420346844 296178538 /nfs/dbraw/zinc/17/85/38/296178538.db2.gz ZGSXLQRZVGXPSR-JQHSSLGASA-N 2 0 321.509 2.630 20 0 DFADRP CCN(CC)C(=O)CCC1CC[NH+](CC[C@@H]2CCC[NH2+]C2)CC1 ZINC000420356264 296179267 /nfs/dbraw/zinc/17/92/67/296179267.db2.gz GKTJFKHYKHYQMY-SFHVURJKSA-N 2 0 323.525 2.737 20 0 DFADRP CC1(C)C[NH2+]CC[C@@H]1[NH2+]CCCc1nc(-c2ccccc2)no1 ZINC000420354431 296178878 /nfs/dbraw/zinc/17/88/78/296178878.db2.gz CZKZTJIUQTVQBK-HNNXBMFYSA-N 2 0 314.433 2.647 20 0 DFADRP Fc1ccc(C[N@H+](CC[C@@H]2CC[NH2+]C2)C2CCOCC2)cc1 ZINC000420360910 296179999 /nfs/dbraw/zinc/17/99/99/296179999.db2.gz MNHLFLDCRXZEHH-HNNXBMFYSA-N 2 0 306.425 2.806 20 0 DFADRP COC(=O)[C@H](C)[C@H]([NH2+]CC[C@H]1CCC[NH2+]C1)c1ccccc1 ZINC000420373188 296182330 /nfs/dbraw/zinc/18/23/30/296182330.db2.gz MEFJGYVQBSMOMV-INMHGKMJSA-N 2 0 304.434 2.516 20 0 DFADRP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@H]2CCCc3occc32)CC1 ZINC000192823839 399175420 /nfs/dbraw/zinc/17/54/20/399175420.db2.gz MFQQAHJCXPDEON-WBVHZDCISA-N 2 0 305.466 2.520 20 0 DFADRP CC[C@H]1C[N@H+](CC[C@@H]2CC[NH2+]C2)CCN1Cc1ccccc1 ZINC000420377917 296182953 /nfs/dbraw/zinc/18/29/53/296182953.db2.gz SVYQAZSRICWKGP-HKUYNNGSSA-N 2 0 301.478 2.582 20 0 DFADRP C[NH2+]CCC[N@H+](C)CCC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000420383170 296183856 /nfs/dbraw/zinc/18/38/56/296183856.db2.gz BQLPZMUBFCJRAF-UHFFFAOYSA-N 2 0 317.355 2.575 20 0 DFADRP [NH3+][C@@H]1CCO[C@H](C2CC[NH+](CCOC3CCCCCC3)CC2)C1 ZINC000420384764 296183880 /nfs/dbraw/zinc/18/38/80/296183880.db2.gz GTORBBFFKCETRK-MJGOQNOKSA-N 2 0 324.509 2.944 20 0 DFADRP [NH3+][C@@H]1CCC[C@H]2C[N@H+](CC(=O)NCCCC3CCCCC3)C[C@H]21 ZINC000342088566 284323687 /nfs/dbraw/zinc/32/36/87/284323687.db2.gz RFISHTQDZNOXTJ-RCCFBDPRSA-N 2 0 321.509 2.522 20 0 DFADRP [NH3+][C@H]1CCCO[C@H]1C1CC[NH+](CCCCC2CCOCC2)CC1 ZINC000420387644 296184412 /nfs/dbraw/zinc/18/44/12/296184412.db2.gz WBZKWSKFYMUAOU-OALUTQOASA-N 2 0 324.509 2.802 20 0 DFADRP CSc1ccccc1C[N@@H+]1CC2(CC[NH2+]CC2)[C@@H]2COC[C@@H]21 ZINC000420394236 296185362 /nfs/dbraw/zinc/18/53/62/296185362.db2.gz ZJRCEFWGRGUQOL-CVEARBPZSA-N 2 0 318.486 2.609 20 0 DFADRP [NH3+][C@H]1CCO[C@@H](C2CC[NH+](CCCCC3CCOCC3)CC2)C1 ZINC000420393371 296185373 /nfs/dbraw/zinc/18/53/73/296185373.db2.gz QJBDVUYTPQUJIG-RBUKOAKNSA-N 2 0 324.509 2.802 20 0 DFADRP CCc1oc2ccccc2c1C[NH2+]CC1(O)CC[NH+](C)CC1 ZINC000265879423 204941555 /nfs/dbraw/zinc/94/15/55/204941555.db2.gz NZEBVTMGASIJPK-UHFFFAOYSA-N 2 0 302.418 2.542 20 0 DFADRP CC(C)[C@@H]1CCCC[C@H]1[NH2+]C[C@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC000420399475 296186140 /nfs/dbraw/zinc/18/61/40/296186140.db2.gz IAERWWGBGVBRGZ-OKYOBFRVSA-N 2 0 304.478 2.722 20 0 DFADRP Cc1ccc(CC[NH+]2CCC([C@H]3C[C@@H]([NH3+])CCO3)CC2)cc1 ZINC000420395739 296185525 /nfs/dbraw/zinc/18/55/25/296185525.db2.gz UPTYVTNLEMNGKS-RBUKOAKNSA-N 2 0 302.462 2.756 20 0 DFADRP COc1ccc(C[N@@H+]2CC[C@@H](CNc3cccc(C)[nH+]3)C2)nc1 ZINC000271717753 209153023 /nfs/dbraw/zinc/15/30/23/209153023.db2.gz CQBFSUFXTNPMHF-HNNXBMFYSA-N 2 0 312.417 2.728 20 0 DFADRP COc1ccc([C@@H](C[NH3+])C[NH2+][C@@H](C)c2cncc(F)c2)cc1 ZINC000420403631 296186838 /nfs/dbraw/zinc/18/68/38/296186838.db2.gz LGQFNPFMVTUIGD-WFASDCNBSA-N 2 0 303.381 2.622 20 0 DFADRP CN1CC[C@H]([NH2+]CCC2CC[NH2+]CC2)[C@H]1c1ccc(F)c(F)c1 ZINC000420407196 296187344 /nfs/dbraw/zinc/18/73/44/296187344.db2.gz OEIATNREZZHWTQ-ZWKOTPCHSA-N 2 0 323.431 2.689 20 0 DFADRP CC[NH+](CC)Cc1ccc(C(=O)N[C@H](C)C[NH+](CC)CC)o1 ZINC000622063905 399183415 /nfs/dbraw/zinc/18/34/15/399183415.db2.gz MDRYPBOYYPHZCW-CQSZACIVSA-N 2 0 309.454 2.582 20 0 DFADRP C[C@H](Cn1cccn1)[NH2+][C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000282765144 217235320 /nfs/dbraw/zinc/23/53/20/217235320.db2.gz ZWEAGBKJFCHGRJ-BTHPGYMESA-N 2 0 324.472 2.772 20 0 DFADRP C[C@H]1CC[N@H+](CC(=O)Nc2ccccc2Nc2cc[nH+]cc2)C1 ZINC000614255116 399190237 /nfs/dbraw/zinc/19/02/37/399190237.db2.gz OGTCPKFEZFQKRS-AWEZNQCLSA-N 2 0 310.401 2.527 20 0 DFADRP CCC(C)(C)[NH2+][C@@H](C)C(=O)N[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000618665521 399202817 /nfs/dbraw/zinc/20/28/17/399202817.db2.gz JXPYTFVKYVAFRK-LSDHHAIUSA-N 2 0 309.498 2.676 20 0 DFADRP C[C@@H](C(=O)NC[C@@H](c1ccsc1)[NH+](C)C)[NH+]1CCCCCC1 ZINC000266505015 205395284 /nfs/dbraw/zinc/39/52/84/205395284.db2.gz GLTPMOZMHMAPHS-HOCLYGCPSA-N 2 0 323.506 2.732 20 0 DFADRP CC[N@H+](CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C)[C@@H](C)C(C)C ZINC000157860532 284398870 /nfs/dbraw/zinc/39/88/70/284398870.db2.gz RJYKGRBRXNDAJI-WMZOPIPTSA-N 2 0 319.493 2.772 20 0 DFADRP Cn1cc(Cl)c(CN2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)n1 ZINC000420933988 296214480 /nfs/dbraw/zinc/21/44/80/296214480.db2.gz JHNYCFLDLWLUPF-LRDDRELGSA-N 2 0 308.857 2.522 20 0 DFADRP Cc1cc(N2CC[NH+](C[C@H]3CCOC3)CC2)c2ccccc2[nH+]1 ZINC000267432418 206064764 /nfs/dbraw/zinc/06/47/64/206064764.db2.gz WXWCGSHKODTZMB-MRXNPFEDSA-N 2 0 311.429 2.702 20 0 DFADRP Cc1cc(N2CC[NH+](C[C@@H]3CCOC3)CC2)c2ccccc2[nH+]1 ZINC000267432416 206065070 /nfs/dbraw/zinc/06/50/70/206065070.db2.gz WXWCGSHKODTZMB-INIZCTEOSA-N 2 0 311.429 2.702 20 0 DFADRP C[C@@H](CN1CC[NH+](C)CC1)[NH2+][C@@H]1CCc2ccc(Cl)cc21 ZINC000343124359 284472428 /nfs/dbraw/zinc/47/24/28/284472428.db2.gz ZOESDIDRWROUMP-SUMWQHHRSA-N 2 0 307.869 2.553 20 0 DFADRP CC[NH+]1CCC(N2CCC[N@@H+]([C@@H](C)c3ccccn3)CC2)CC1 ZINC000420977388 296220047 /nfs/dbraw/zinc/22/00/47/296220047.db2.gz HYBHSGYAGJVZIV-KRWDZBQOSA-N 2 0 316.493 2.635 20 0 DFADRP C[C@@H]1C[C@@H](C(=O)OC(C)(C)C)C[N@H+](CC[C@@H]2CCC[NH+]2C)C1 ZINC000421028422 296228220 /nfs/dbraw/zinc/22/82/20/296228220.db2.gz UOLHOBGZEVGAHG-OAGGEKHMSA-N 2 0 310.482 2.770 20 0 DFADRP C[NH+](C)C1CCC([NH2+]C2CCN(CCC(F)(F)F)CC2)CC1 ZINC000421375595 296250435 /nfs/dbraw/zinc/25/04/35/296250435.db2.gz QOIUDXAZGYNSBV-UHFFFAOYSA-N 2 0 321.431 2.866 20 0 DFADRP C[N@H+](CCC(=O)N1CCC2(C1)CC[NH+](C)CC2)C1CCCCC1 ZINC000614965176 399286401 /nfs/dbraw/zinc/28/64/01/399286401.db2.gz OQPYKCTYUOYQEI-UHFFFAOYSA-N 2 0 321.509 2.585 20 0 DFADRP CC[C@@H]([NH2+]Cc1ccc(OCC[NH+](C)C)cc1)[C@H]1CCOC1 ZINC000344587500 284653340 /nfs/dbraw/zinc/65/33/40/284653340.db2.gz IGPBAUHBQIUABM-FUHWJXTLSA-N 2 0 306.450 2.532 20 0 DFADRP C[NH+](C)Cc1cccc(NC(=O)NC[C@H]2CC[C@H](C[NH3+])CC2)c1 ZINC000623064105 399321699 /nfs/dbraw/zinc/32/16/99/399321699.db2.gz URQZGIBGCUBDPN-SHTZXODSSA-N 2 0 318.465 2.635 20 0 DFADRP COC1([C@H](C)[NH2+]C2CC[NH+]([C@H]3CCC[C@H]3O)CC2)CCCCC1 ZINC000421843064 296277368 /nfs/dbraw/zinc/27/73/68/296277368.db2.gz MDXCUVASGRPVFJ-RYQLBKOJSA-N 2 0 324.509 2.692 20 0 DFADRP CCC[C@H](C(=O)N1CCC2(CCC([NH+](C)C)CC2)CC1)[NH+](C)C ZINC000615444514 399337474 /nfs/dbraw/zinc/33/74/74/399337474.db2.gz VHFGCDPMRYRARH-QGZVFWFLSA-N 2 0 323.525 2.830 20 0 DFADRP COC1(C[NH2+]CCCC[NH+]2C[C@@H](C)O[C@H](C)C2)CCCCC1 ZINC000359741124 284724305 /nfs/dbraw/zinc/72/43/05/284724305.db2.gz GFFWHPKKFVPGOA-IAGOWNOFSA-N 2 0 312.498 2.815 20 0 DFADRP CCC[N@H+](CC)Cc1ccc(C(=O)N2CC(C[NH+](C)C)C2)cc1 ZINC000615510754 399345370 /nfs/dbraw/zinc/34/53/70/399345370.db2.gz VQCWMFMDDMFCQT-UHFFFAOYSA-N 2 0 317.477 2.552 20 0 DFADRP C[C@@H]1CC(C)(C)C[C@H]1[NH2+]C1CCN(C2CC[NH+](C)CC2)CC1 ZINC000193128148 296285781 /nfs/dbraw/zinc/28/57/81/296285781.db2.gz KMGIPUJUUVDUKY-CRAIPNDOSA-N 2 0 307.526 2.959 20 0 DFADRP CC[NH+]1CCC(NC(=O)C[N@H+](CC2CCCCC2)C2CC2)CC1 ZINC000052244504 425883915 /nfs/dbraw/zinc/88/39/15/425883915.db2.gz JXIIFOMNVSYQPQ-UHFFFAOYSA-N 2 0 321.509 2.632 20 0 DFADRP CC[NH+](CC)Cc1ccccc1CNC(=O)[C@]1(CC)CCC[NH2+]1 ZINC000129010263 284738558 /nfs/dbraw/zinc/73/85/58/284738558.db2.gz FUVIUQHCLJXLPB-IBGZPJMESA-N 2 0 317.477 2.677 20 0 DFADRP CC1(C)Cc2cc(C[NH2+]CCCC[NH+]3CCOCC3)ccc2O1 ZINC000105419554 194103572 /nfs/dbraw/zinc/10/35/72/194103572.db2.gz NKNQRUXDBGGERF-UHFFFAOYSA-N 2 0 318.461 2.602 20 0 DFADRP CCN(CC)c1ncc(C[NH2+]CCC2CC[NH+](C)CC2)s1 ZINC000105454594 194103952 /nfs/dbraw/zinc/10/39/52/194103952.db2.gz AJDJTULKWHSPMR-UHFFFAOYSA-N 2 0 310.511 2.811 20 0 DFADRP C[NH+](C)[C@H](CN[C@H]1CC[N@H+](C)C(C)(C)C1)Cc1ccccc1 ZINC000623335823 399364588 /nfs/dbraw/zinc/36/45/88/399364588.db2.gz GLTLEEACZNAIRF-ROUUACIJSA-N 2 0 303.494 2.622 20 0 DFADRP CC[NH+](CC)[C@@H](C(=O)NC[C@@]1(C)CCC[NH2+]C1)c1ccccc1 ZINC000273026437 284754991 /nfs/dbraw/zinc/75/49/91/284754991.db2.gz RILAHQJPNXAGGZ-MJGOQNOKSA-N 2 0 317.477 2.575 20 0 DFADRP C[NH+](C)CCOc1ccc(C[NH2+]Cc2cccc3n[nH]cc32)cc1 ZINC000623361421 399371942 /nfs/dbraw/zinc/37/19/42/399371942.db2.gz BEBBRMDXXMPRBN-UHFFFAOYSA-N 2 0 324.428 2.793 20 0 DFADRP CC[N@@H+]1CC[C@@H](C[NH2+]Cc2ccc(OC)c(OC3CC3)c2)C1 ZINC000623361744 399372983 /nfs/dbraw/zinc/37/29/83/399372983.db2.gz NIDUTTGOFYXXGZ-HNNXBMFYSA-N 2 0 304.434 2.668 20 0 DFADRP COc1cccc(N2CC[C@@H]([NH2+][C@@H]3CC[N@H+](C)C(C)(C)C3)C2)c1 ZINC000623399225 399380307 /nfs/dbraw/zinc/38/03/07/399380307.db2.gz BRGNQXDYPKMQLG-HZPDHXFCSA-N 2 0 317.477 2.736 20 0 DFADRP COc1cccc(N2CC[C@H]([NH2+][C@H]3CC[N@H+](C)C(C)(C)C3)C2)c1 ZINC000623399224 399380454 /nfs/dbraw/zinc/38/04/54/399380454.db2.gz BRGNQXDYPKMQLG-HOTGVXAUSA-N 2 0 317.477 2.736 20 0 DFADRP CC[NH+](CC)[C@H](C(=O)N(C)CC[C@@H]([NH3+])C(C)C)c1ccccc1 ZINC000236863241 284784266 /nfs/dbraw/zinc/78/42/66/284784266.db2.gz XWRIOFAQOIDTCO-MSOLQXFVSA-N 2 0 319.493 2.901 20 0 DFADRP COC[C@H](C[NH2+]C1CCC([N@H+](C)Cc2ccccc2)CC1)OC ZINC000285148840 218309896 /nfs/dbraw/zinc/30/98/96/218309896.db2.gz MCHLOGNBHMTTOD-ACBHZAAOSA-N 2 0 320.477 2.681 20 0 DFADRP COC(=O)c1coc([C@@H](C)NCC[C@@H]([NH3+])Cc2ccccc2)c1 ZINC000602023010 399385760 /nfs/dbraw/zinc/38/57/60/399385760.db2.gz VRRKGGXYWOBMOQ-CZUORRHYSA-N 2 0 316.401 2.677 20 0 DFADRP CC[C@@H]([NH2+]Cc1cccc2c1CC[NH2+]C2)C1(C(=O)OC)CCC1 ZINC000602022982 399385888 /nfs/dbraw/zinc/38/58/88/399385888.db2.gz VGJVCJKHOPPGIB-QGZVFWFLSA-N 2 0 316.445 2.544 20 0 DFADRP CC(C)[C@H](C(=O)NCC(C)(C)[NH2+][C@@H](C)c1ccccc1)[NH+](C)C ZINC000109627281 194278336 /nfs/dbraw/zinc/27/83/36/194278336.db2.gz APAZRCAEGXDICS-DOTOQJQBSA-N 2 0 319.493 2.818 20 0 DFADRP COCCOc1ccc(C[N@@H+]2C[C@H](C[NH3+])[C@H](C)C[C@@H]2C)cc1 ZINC000422561263 296312663 /nfs/dbraw/zinc/31/26/63/296312663.db2.gz KFVHNBNJYOOCHX-VYDXJSESSA-N 2 0 306.450 2.517 20 0 DFADRP Cc1nn(-c2ccccc2)cc1C[N@@H+]1C[C@H](C[NH3+])[C@H](C)C[C@@H]1C ZINC000422565715 296313303 /nfs/dbraw/zinc/31/33/03/296313303.db2.gz ZUAUNAFIRRWTAU-VYDXJSESSA-N 2 0 312.461 2.986 20 0 DFADRP CNC(=O)C[C@H](C)[NH2+]Cc1ccccc1C[NH+]1CCCCCC1 ZINC000268851368 207018725 /nfs/dbraw/zinc/01/87/25/207018725.db2.gz CXCBJBUWGJRZAH-INIZCTEOSA-N 2 0 317.477 2.677 20 0 DFADRP CCC[C@@](C)(O)C[NH2+][C@@H](C)c1cccc(OCC[NH+](C)C)c1 ZINC000268860837 207029098 /nfs/dbraw/zinc/02/90/98/207029098.db2.gz GCAWFHNFLGOYGH-MAUKXSAKSA-N 2 0 308.466 2.829 20 0 DFADRP C[NH2+]CC1CC[NH+](Cc2ccc(OC)c(OC)c2Cl)CC1 ZINC000110830855 194361623 /nfs/dbraw/zinc/36/16/23/194361623.db2.gz JEKLXGXXYKHDMR-UHFFFAOYSA-N 2 0 312.841 2.789 20 0 DFADRP C[N@@H+]1CC[C@@H]([NH2+]CC2CCN(c3cc[nH+]cc3)CC2)CC1(C)C ZINC000623482534 399398979 /nfs/dbraw/zinc/39/89/79/399398979.db2.gz YMVFFLPEAQUXQT-QGZVFWFLSA-N 2 0 316.493 2.760 20 0 DFADRP C[C@@H]1C[C@@H](C)[N@H+](CCCOCCc2ccccc2)C[C@H]1C[NH3+] ZINC000422625264 296316591 /nfs/dbraw/zinc/31/65/91/296316591.db2.gz BBZZKSNSMNVIBY-ZHALLVOQSA-N 2 0 304.478 2.941 20 0 DFADRP C[C@@H]([NH3+])C[C@H](C)[NH2+]Cc1cccc(COC2CCOCC2)c1 ZINC000422703251 296318487 /nfs/dbraw/zinc/31/84/87/296318487.db2.gz HHBCCKIAHAUTJA-CABCVRRESA-N 2 0 306.450 2.598 20 0 DFADRP CC[C@H](NCC(C)(C)[N@@H+]1CCc2ccccc2C1)[C@@H]1CCC[NH2+]1 ZINC000422702573 296318349 /nfs/dbraw/zinc/31/83/49/296318349.db2.gz LBWSIDXHQQTZMK-OALUTQOASA-N 2 0 315.505 2.944 20 0 DFADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+][C@@H]2CCc3c2cccc3F)CC1 ZINC000268925032 207091495 /nfs/dbraw/zinc/09/14/95/207091495.db2.gz RFJXZWNWISLLTF-HNAYVOBHSA-N 2 0 319.468 2.676 20 0 DFADRP C[C@H]([NH3+])[C@H]1COCC[C@@H]1[NH2+]CCCCCOC1CCCCC1 ZINC000422704043 296319123 /nfs/dbraw/zinc/31/91/23/296319123.db2.gz JRORZQGIOGTNFB-JQHSSLGASA-N 2 0 312.498 2.848 20 0 DFADRP C[C@H]1CC[NH2+]CC[C@H]1[NH2+]Cc1cc(Cl)c2c(c1)OCCO2 ZINC000422704195 296318848 /nfs/dbraw/zinc/31/88/48/296318848.db2.gz OTXLMYRNFNNFNC-SMDDNHRTSA-N 2 0 310.825 2.589 20 0 DFADRP c1ccc([C@H]2C[C@@H](NC3CC[NH+](CC4CC4)CC3)CC[NH2+]2)cc1 ZINC000422710607 296319693 /nfs/dbraw/zinc/31/96/93/296319693.db2.gz FDHBNONWWAPFOQ-VQTJNVASSA-N 2 0 313.489 2.944 20 0 DFADRP CC(=O)Nc1ccc(CC[NH2+][C@@H]2C[C@H]([NH3+])c3ccccc32)cc1 ZINC000422708693 296319328 /nfs/dbraw/zinc/31/93/28/296319328.db2.gz CGPFMUFUPKHYOW-RBUKOAKNSA-N 2 0 309.413 2.922 20 0 DFADRP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]CCCCNc1ccccn1 ZINC000422706359 296319402 /nfs/dbraw/zinc/31/94/02/296319402.db2.gz UFJCMYOGOAICHP-WMZOPIPTSA-N 2 0 312.461 2.822 20 0 DFADRP [NH3+]C[C@H]1CCC[C@@H]1[NH2+]Cc1cccc(COC2CCOCC2)c1 ZINC000422713431 296320116 /nfs/dbraw/zinc/32/01/16/296320116.db2.gz PRCZYXUZNLTZDV-MJGOQNOKSA-N 2 0 318.461 2.599 20 0 DFADRP CCC(CC)C(=O)N1CCC([NH2+][C@H]2CCCC[C@H]2C[NH3+])CC1 ZINC000422712120 296320276 /nfs/dbraw/zinc/32/02/76/296320276.db2.gz GKJQXBDLMCXRJC-RDJZCZTQSA-N 2 0 309.498 2.521 20 0 DFADRP C[C@H]([NH3+])[C@@H]1COCC[C@H]1[NH2+]CC(C)(C)c1ccccc1Cl ZINC000422715548 296320398 /nfs/dbraw/zinc/32/03/98/296320398.db2.gz SGCDZMNHCACKBO-HEHGZKQESA-N 2 0 310.869 2.960 20 0 DFADRP COc1ccc([C@H](C[NH+](C)C)N[C@H]2CC[N@H+](C)C(C)(C)C2)cc1 ZINC000623517886 399407043 /nfs/dbraw/zinc/40/70/43/399407043.db2.gz XBQYWYGUZMLQCB-WMZOPIPTSA-N 2 0 319.493 2.760 20 0 DFADRP Cc1[nH]c2ccc(C[NH2+][C@@H]3CCOC[C@@H]3[C@@H](C)[NH3+])cc2c1C ZINC000422721804 296321579 /nfs/dbraw/zinc/32/15/79/296321579.db2.gz OIXZHEMROUWYJD-CSMYWGQOSA-N 2 0 301.434 2.627 20 0 DFADRP OCCCC[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000268959266 207124196 /nfs/dbraw/zinc/12/41/96/207124196.db2.gz FGBNSKYQCUISOZ-MOPGFXCFSA-N 2 0 302.462 2.745 20 0 DFADRP CCOc1c(Cl)cc(C[NH2+][C@H](C)C[C@@H](C)[NH3+])cc1OC ZINC000422724119 296321639 /nfs/dbraw/zinc/32/16/39/296321639.db2.gz UORYHFZCZDOYKY-GHMZBOCLSA-N 2 0 300.830 2.963 20 0 DFADRP C[C@H](NC[C@@H]1CC[N@H+](CCc2ccccc2)C1)c1c[nH+]ccc1N ZINC000422721611 296321397 /nfs/dbraw/zinc/32/13/97/296321397.db2.gz VURTUSDODBPCSI-WMZOPIPTSA-N 2 0 324.472 2.709 20 0 DFADRP CCC(C)(C)[NH2+][C@H](C)C(=O)NCc1ccccc1C[NH+](C)C ZINC000273267844 210642631 /nfs/dbraw/zinc/64/26/31/210642631.db2.gz UQKNUQCKSCABPQ-CQSZACIVSA-N 2 0 305.466 2.531 20 0 DFADRP C[C@H]([NH2+]Cc1ccc(-n2ccc(C(F)(F)F)n2)cc1)C1C[NH2+]C1 ZINC000422726440 296322021 /nfs/dbraw/zinc/32/20/21/296322021.db2.gz ZXKRNHJYMVPGLP-NSHDSACASA-N 2 0 324.350 2.589 20 0 DFADRP C[N@@H+]1CC[C@@H]([NH2+][C@@H]2CCO[C@@H](c3cccnc3)C2)CC1(C)C ZINC000623557439 399415644 /nfs/dbraw/zinc/41/56/44/399415644.db2.gz XREMSELVWJTDFR-BRWVUGGUSA-N 2 0 303.450 2.764 20 0 DFADRP CN(C)C(=O)C1(C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)CCCC1 ZINC000422728001 296322483 /nfs/dbraw/zinc/32/24/83/296322483.db2.gz INXFHZSIWIUFQS-GVDBMIGSSA-N 2 0 321.509 2.535 20 0 DFADRP CCOC(=O)C1([C@H](C)[NH2+][C@@H]2CCC[C@@H](C)[C@@H]2C)CC[NH2+]CC1 ZINC000422728313 296322565 /nfs/dbraw/zinc/32/25/65/296322565.db2.gz JBKNEOOYVQGEMV-FXUDXRNXSA-N 2 0 310.482 2.722 20 0 DFADRP C[N@@H+]1CC[C@H]([NH2+]C[C@]2(C)COc3ccccc3O2)CC1(C)C ZINC000623594741 399424225 /nfs/dbraw/zinc/42/42/25/399424225.db2.gz HIEFQZQQTYJQIT-KBXCAEBGSA-N 2 0 304.434 2.679 20 0 DFADRP CCOC(=O)C1([C@H](C)[NH2+][C@@H]2CCC[C@H](C)[C@@H]2C)CC[NH2+]CC1 ZINC000422728317 296322807 /nfs/dbraw/zinc/32/28/07/296322807.db2.gz JBKNEOOYVQGEMV-YHUYYLMFSA-N 2 0 310.482 2.722 20 0 DFADRP C[C@@H]1CC[NH2+]CC[C@@H]1NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000422731445 296323127 /nfs/dbraw/zinc/32/31/27/296323127.db2.gz LRVWARKICLOGSJ-OWCLPIDISA-N 2 0 307.507 2.863 20 0 DFADRP c1cc(CC[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)cc2c1OCC2 ZINC000422730912 296323147 /nfs/dbraw/zinc/32/31/47/296323147.db2.gz MTOCXISTDYEZSX-RCCFBDPRSA-N 2 0 300.446 2.674 20 0 DFADRP [NH3+]C[C@H]1CCC[C@H]1[NH2+]Cc1cc(F)cc(Br)c1 ZINC000422730484 296323199 /nfs/dbraw/zinc/32/31/99/296323199.db2.gz JTUQXFGMSGABTE-ZWNOBZJWSA-N 2 0 301.203 2.805 20 0 DFADRP C[C@@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]CC1(C(=O)N(C)C)CCCC1 ZINC000422730586 296323267 /nfs/dbraw/zinc/32/32/67/296323267.db2.gz MFPLCUHMLAPTOE-HOTGVXAUSA-N 2 0 309.498 2.535 20 0 DFADRP CC[C@H](CCO)C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000269030073 207180031 /nfs/dbraw/zinc/18/00/31/207180031.db2.gz DLKZJJCTIDWZAV-LMMKCTJWSA-N 2 0 304.478 2.895 20 0 DFADRP Cn1nccc1-c1ccccc1C[NH2+]C[C@@H]1CCCC[N@H+](C)C1 ZINC000623657599 399436358 /nfs/dbraw/zinc/43/63/58/399436358.db2.gz VDXLMUPLNJVCCJ-INIZCTEOSA-N 2 0 312.461 2.909 20 0 DFADRP C[C@H]([NH2+][C@H]1CCCC[C@H]1CO)c1cccc(OCC[NH+](C)C)c1 ZINC000269048578 207198992 /nfs/dbraw/zinc/19/89/92/207198992.db2.gz WZZZZGYVGIAZLK-IEZWGBDMSA-N 2 0 320.477 2.829 20 0 DFADRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@H](C)c1ccc(OC)c(OC)c1 ZINC000269073037 207221642 /nfs/dbraw/zinc/22/16/42/207221642.db2.gz NDBCLUADJPFNPN-GDBMZVCRSA-N 2 0 324.465 2.711 20 0 DFADRP C[C@H]([NH2+]CC1(O)CC[NH+](C)CC1)c1ccc(F)cc1Cl ZINC000269081706 207228013 /nfs/dbraw/zinc/22/80/13/207228013.db2.gz ZUFYLQBSZNDUCU-NSHDSACASA-N 2 0 300.805 2.586 20 0 DFADRP c1csc([C@@H](CNC2C[C@H]3CC[C@@H](C2)[NH2+]3)[NH+]2CCCC2)c1 ZINC000422733016 296323582 /nfs/dbraw/zinc/32/35/82/296323582.db2.gz PZTDZVXXOXBQDS-VFSICIBPSA-N 2 0 305.491 2.758 20 0 DFADRP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1[NH2+]CCc1c(Cl)cccc1Cl ZINC000422738501 296324002 /nfs/dbraw/zinc/32/40/02/296324002.db2.gz JMJJPTRFXHNUOD-WBIUFABUSA-N 2 0 317.260 2.878 20 0 DFADRP CC(C)[C@@H]([NH3+])C(=O)Nc1ccc(C[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000269223772 207344470 /nfs/dbraw/zinc/34/44/70/207344470.db2.gz CAINUYZNYVHDNX-WMLDXEAASA-N 2 0 303.450 2.983 20 0 DFADRP C[C@H]([NH3+])[C@@H]1COCC[C@H]1[NH2+]CCc1ccccc1C(F)(F)F ZINC000422743577 296324976 /nfs/dbraw/zinc/32/49/76/296324976.db2.gz UHEOUOOEGBUNQF-CORIIIEPSA-N 2 0 316.367 2.590 20 0 DFADRP CC1CC[NH+]([C@H](CN[C@H]2CCC[C@@H]2[NH3+])c2ccccc2)CC1 ZINC000422745458 296325218 /nfs/dbraw/zinc/32/52/18/296325218.db2.gz XTORXNAOPKOAJT-GBESFXJTSA-N 2 0 301.478 2.929 20 0 DFADRP C[C@H](c1ccccc1)[NH+]1CCC(N[C@H]2CCC[C@H]2C[NH3+])CC1 ZINC000422745763 296325235 /nfs/dbraw/zinc/32/52/35/296325235.db2.gz MUXNZJWGTGYJRS-AYBZRNKSSA-N 2 0 301.478 2.929 20 0 DFADRP Cc1c2ccccc2oc1C[NH2+][C@@H]1CCOC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000422748659 296325678 /nfs/dbraw/zinc/32/56/78/296325678.db2.gz VNMZENDKAWQZTN-IXDOHACOSA-N 2 0 314.429 2.988 20 0 DFADRP CCOC(=O)C1([C@H](C)[NH2+]Cc2ccc(Cl)cc2)CC[NH2+]CC1 ZINC000422748920 296325682 /nfs/dbraw/zinc/32/56/82/296325682.db2.gz WSYRHZVLINYWIT-ZDUSSCGKSA-N 2 0 324.852 2.751 20 0 DFADRP CC[C@@H](NC[C@@H]1CCC[N@@H+]1Cc1ccccc1)[C@@H]1CCC[NH2+]1 ZINC000422747149 296325876 /nfs/dbraw/zinc/32/58/76/296325876.db2.gz YAUIVVAGUWOURO-OTWHNJEPSA-N 2 0 301.478 2.771 20 0 DFADRP CC[C@@H](NC[C@H]1CCC[N@@H+]1Cc1ccccc1)[C@@H]1CCC[NH2+]1 ZINC000422747150 296325897 /nfs/dbraw/zinc/32/58/97/296325897.db2.gz YAUIVVAGUWOURO-QRVBRYPASA-N 2 0 301.478 2.771 20 0 DFADRP CCc1ccc(CC[NH2+][C@@H]2CCOC[C@@H]2[C@H]2CCC[NH2+]2)cc1 ZINC000422750373 296326162 /nfs/dbraw/zinc/32/61/62/296326162.db2.gz CZCZAOSLWDBINA-GUDVDZBRSA-N 2 0 302.462 2.538 20 0 DFADRP COc1cccc(N2CCC[C@H]([NH2+]C3CCC(C[NH3+])CC3)C2)c1 ZINC000422750997 296326408 /nfs/dbraw/zinc/32/64/08/296326408.db2.gz ATSKKCLBUSAWLJ-JCYILVPMSA-N 2 0 317.477 2.771 20 0 DFADRP COc1cccc(N2CCC[C@@H]([NH2+][C@H](C)CCCC[NH3+])C2)c1 ZINC000422751587 296326518 /nfs/dbraw/zinc/32/65/18/296326518.db2.gz BOWOLZKALGLTPO-HZPDHXFCSA-N 2 0 305.466 2.771 20 0 DFADRP CCS[C@H]1CCCC[C@@H]1[NH2+]C1CC[NH+](CC(C)(C)O)CC1 ZINC000602562471 399476398 /nfs/dbraw/zinc/47/63/98/399476398.db2.gz BYFYIIQMCZSZBE-HOTGVXAUSA-N 2 0 314.539 2.876 20 0 DFADRP C[C@H]([NH2+]CC1(c2cccc(Cl)c2)CCOCC1)[C@@H]1CC[NH2+]C1 ZINC000422755446 296327447 /nfs/dbraw/zinc/32/74/47/296327447.db2.gz HTFSDPBXOCELMJ-LSDHHAIUSA-N 2 0 322.880 2.976 20 0 DFADRP COc1ccc([C@@H](C[NH2+][C@@H](C)CCC[NH3+])N2CCCC2)cc1 ZINC000422761378 296328328 /nfs/dbraw/zinc/32/83/28/296328328.db2.gz REDUTHQJHMIDPF-MAUKXSAKSA-N 2 0 305.466 2.549 20 0 DFADRP COc1cccc([C@@H](C[NH2+][C@@H](C)CCCC[NH3+])N2CCCC2)c1 ZINC000422761930 296328539 /nfs/dbraw/zinc/32/85/39/296328539.db2.gz NCQNDFOLQALQPR-QFBILLFUSA-N 2 0 319.493 2.939 20 0 DFADRP C[C@@H](COc1ccccc1C(F)(F)F)[NH2+][C@@H](C)C1C[NH2+]C1 ZINC000422763251 296329030 /nfs/dbraw/zinc/32/90/30/296329030.db2.gz OQONHXCWSCTAOT-QWRGUYRKSA-N 2 0 302.340 2.670 20 0 DFADRP CCOc1ccc(CC[NH2+]C2CCC([NH3+])CC2)cc1OCC ZINC000422765039 296329178 /nfs/dbraw/zinc/32/91/78/296329178.db2.gz PYSIKTBKKRQVRH-UHFFFAOYSA-N 2 0 306.450 2.886 20 0 DFADRP Cc1cc(F)ccc1N1CCC[C@H]([NH2+]C2CCC([NH3+])CC2)C1 ZINC000422763777 296329274 /nfs/dbraw/zinc/32/92/74/296329274.db2.gz PGZWOVIBPBLKNK-JCYILVPMSA-N 2 0 305.441 2.962 20 0 DFADRP CC(C)(C)C[C@H](O)C[NH2+][C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422767055 296329529 /nfs/dbraw/zinc/32/95/29/296329529.db2.gz SDTWHBUCESZYIV-ZSZQSSIHSA-N 2 0 318.461 2.629 20 0 DFADRP C[C@H]([NH3+])[C@@H](Cc1ccccc1)NCC1([NH+](C)C)CCCCC1 ZINC000422767151 296329610 /nfs/dbraw/zinc/32/96/10/296329610.db2.gz YERGWPKUCSBTKQ-FUHWJXTLSA-N 2 0 303.494 2.799 20 0 DFADRP Cc1cc(F)ccc1N1CCC[C@@H]([NH2+][C@@H]2CCC[NH2+]CC2)C1 ZINC000422769230 296330040 /nfs/dbraw/zinc/33/00/40/296330040.db2.gz VIWCFEPBUJFJGD-IAGOWNOFSA-N 2 0 305.441 2.835 20 0 DFADRP c1ccc(SCC[NH2+][C@@H]2CCOC[C@H]2[C@@H]2CCC[NH2+]2)cc1 ZINC000422768745 296330078 /nfs/dbraw/zinc/33/00/78/296330078.db2.gz NZZVFJUCHAWJAP-YESZJQIVSA-N 2 0 306.475 2.525 20 0 DFADRP C[C@H]([NH3+])[C@H]1COCC[C@@H]1[NH2+]CCSc1ccc(Cl)cc1 ZINC000422774882 296330970 /nfs/dbraw/zinc/33/09/70/296330970.db2.gz YVJMCTBMEWHPEM-GLQYFDAESA-N 2 0 314.882 2.774 20 0 DFADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+][C@@H]1CCN(Cc2ccccc2)C1 ZINC000422772419 296330780 /nfs/dbraw/zinc/33/07/80/296330780.db2.gz YIMYQWVJBGLGSC-QFBILLFUSA-N 2 0 324.472 2.774 20 0 DFADRP C[C@@H]1CC[NH2+]C[C@H]1NC[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000422781639 296331802 /nfs/dbraw/zinc/33/18/02/296331802.db2.gz LZGZOOMMWYASEP-BHIYHBOVSA-N 2 0 301.478 2.629 20 0 DFADRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H](C)[C@@H]2CCCCO2)[C@H](C)C1 ZINC000623894934 399489344 /nfs/dbraw/zinc/48/93/44/399489344.db2.gz FXLVQHJMAWHBPO-BDXSIMOUSA-N 2 0 312.498 2.671 20 0 DFADRP C[C@@H]([NH2+]Cc1ccc(C[NH+]2CCCCCC2)cc1)C1C[NH2+]C1 ZINC000422777893 296331489 /nfs/dbraw/zinc/33/14/89/296331489.db2.gz GPMGUYFYIQOULD-MRXNPFEDSA-N 3 0 301.478 2.760 20 0 DFADRP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1[NH2+]Cc1ccccc1C(F)(F)F ZINC000422778667 296331508 /nfs/dbraw/zinc/33/15/08/296331508.db2.gz HVUYRLAUIZTEFB-JKOKRWQUSA-N 2 0 302.340 2.547 20 0 DFADRP CC[C@@H]([NH2+][C@H](C)CN1CC[NH+](C)CC1)c1cc(C)ccc1C ZINC000623889260 399487708 /nfs/dbraw/zinc/48/77/08/399487708.db2.gz IRLTURKVBCJAOG-IEBWSBKVSA-N 2 0 303.494 2.980 20 0 DFADRP C[C@H]([NH2+]Cc1ccc(C[NH+]2CCCCCC2)cc1)C1C[NH2+]C1 ZINC000422777892 296331661 /nfs/dbraw/zinc/33/16/61/296331661.db2.gz GPMGUYFYIQOULD-INIZCTEOSA-N 3 0 301.478 2.760 20 0 DFADRP C[C@H]([NH2+]C1CCN(Cc2ccc(Cl)cc2)CC1)[C@H]1CC[NH2+]C1 ZINC000422784079 296332306 /nfs/dbraw/zinc/33/23/06/296332306.db2.gz LVALOBHTAKYUPW-HOCLYGCPSA-N 2 0 321.896 2.892 20 0 DFADRP CCOC(=O)C1([C@H](C)[NH2+][C@H](C)C2CCCCC2)CC[NH2+]CC1 ZINC000422785180 296332422 /nfs/dbraw/zinc/33/24/22/296332422.db2.gz PDAKSPJMMAATGW-CABCVRRESA-N 2 0 310.482 2.866 20 0 DFADRP C[C@H](NCc1ccccc1C[NH+]1CCCCC1)[C@H]1CCC[NH2+]1 ZINC000422786757 296332668 /nfs/dbraw/zinc/33/26/68/296332668.db2.gz LJOGSDARTRKAGO-QFBILLFUSA-N 2 0 301.478 2.903 20 0 DFADRP CC(C)C(=O)Nc1ccc(C[NH2+][C@@H]2CC[NH2+]CC[C@H]2C)cc1 ZINC000422788387 296332973 /nfs/dbraw/zinc/33/29/73/296332973.db2.gz AMHPYAJFTCGMGQ-RHSMWYFYSA-N 2 0 303.450 2.759 20 0 DFADRP COc1ccc([C@@H](NCCC[NH+]2CCCC2)[C@@H]2CCC[NH2+]2)cc1 ZINC000422788795 296332994 /nfs/dbraw/zinc/33/29/94/296332994.db2.gz RNGSCCKTYRNYNL-RBUKOAKNSA-N 2 0 317.477 2.564 20 0 DFADRP Cc1nn(Cc2ccccc2)c(C)c1C[NH2+][C@H]1CCC[C@@H]1C[NH3+] ZINC000422791657 296333557 /nfs/dbraw/zinc/33/35/57/296333557.db2.gz QLUKWGUTNHZGSX-MJGOQNOKSA-N 2 0 312.461 2.765 20 0 DFADRP CSCC[C@H]([NH2+][C@H](C)CCCC[NH3+])c1nnc2ccccn21 ZINC000422794495 296334032 /nfs/dbraw/zinc/33/40/32/296334032.db2.gz GUCRIKLXRHITHV-KGLIPLIRSA-N 2 0 321.494 2.631 20 0 DFADRP CC[NH+](CC)[C@H](CN[C@H]1CCC[C@H]1C[NH3+])c1cccc(OC)c1 ZINC000422797259 296334794 /nfs/dbraw/zinc/33/47/94/296334794.db2.gz LSAJRYRQZCPWON-YTQUADARSA-N 2 0 319.493 2.795 20 0 DFADRP COC[C@@H](CCC[NH3+])[NH2+][C@H](C)c1ccc(OC(F)(F)F)cc1 ZINC000422803997 296335764 /nfs/dbraw/zinc/33/57/64/296335764.db2.gz GSULPICFHDMUSF-DGCLKSJQSA-N 2 0 320.355 2.990 20 0 DFADRP CC[C@H]([NH3+])C(=O)NCC(CC)(CC)[NH2+][C@H](C)c1ccccc1 ZINC000269268210 207413725 /nfs/dbraw/zinc/41/37/25/207413725.db2.gz QLUHTUXOQHUNTH-ZBFHGGJFSA-N 2 0 305.466 2.750 20 0 DFADRP CC[C@@H](C[NH2+][C@@H](C)CCCC[NH3+])N1CCc2ccccc2C1 ZINC000422802798 296335802 /nfs/dbraw/zinc/33/58/02/296335802.db2.gz DWLFGJKFNCAOAF-LPHOPBHVSA-N 2 0 303.494 2.930 20 0 DFADRP c1ccc2c(c1)CCN(CC[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1)C2 ZINC000422802911 296335836 /nfs/dbraw/zinc/33/58/36/296335836.db2.gz HWWYUDYHIITIGX-AQNXPRMDSA-N 2 0 313.489 2.555 20 0 DFADRP CO[C@H](C[NH2+][C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)C(C)C ZINC000422806735 296336756 /nfs/dbraw/zinc/33/67/56/296336756.db2.gz LDPJBVDHLZKCDX-CGTJXYLNSA-N 2 0 304.434 2.503 20 0 DFADRP C[C@H]([NH3+])[C@H]1COCC[C@H]1[NH2+]CCOc1ccc2ccccc2c1 ZINC000422809958 296336982 /nfs/dbraw/zinc/33/69/82/296336982.db2.gz MVBFYVGZTVDHGC-GDIGMMSISA-N 2 0 314.429 2.561 20 0 DFADRP c1ccc(C2(C[NH2+][C@@H]3CCOC[C@@H]3[C@@H]3CCC[NH2+]3)CCC2)cc1 ZINC000422810832 296337148 /nfs/dbraw/zinc/33/71/48/296337148.db2.gz NYUBISKKGAKSIC-CEXWTWQISA-N 2 0 314.473 2.855 20 0 DFADRP C[C@H](CCCC[NH3+])[NH2+][C@H](c1nccn1C)c1cccc(F)c1 ZINC000422810545 296337168 /nfs/dbraw/zinc/33/71/68/296337168.db2.gz NONFKCVVQAKJDP-CJNGLKHVSA-N 2 0 304.413 2.756 20 0 DFADRP CC[C@H](C[NH2+][C@H]1CC[NH2+]CC[C@@H]1C)N1CCc2ccccc2C1 ZINC000422812572 296337699 /nfs/dbraw/zinc/33/76/99/296337699.db2.gz WOQPNNCTRBVUJF-DBVUQKKJSA-N 2 0 315.505 2.801 20 0 DFADRP C[C@@H](NCCC[N@@H+]1CCc2ccccc2C1)[C@@H]1CCCC[NH2+]1 ZINC000422812175 296337723 /nfs/dbraw/zinc/33/77/23/296337723.db2.gz VSYUQLPWHNCURF-APWZRJJASA-N 2 0 301.478 2.555 20 0 DFADRP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]Cc1cccc(C[NH+]2CCCC2)c1 ZINC000422812760 296337578 /nfs/dbraw/zinc/33/75/78/296337578.db2.gz WWDYYXBDKIYXPA-RBUKOAKNSA-N 3 0 301.478 2.890 20 0 DFADRP CC[C@@H](NCC[N@@H+]1CCc2ccccc2C1)[C@@H]1CCCC[NH2+]1 ZINC000422812647 296337615 /nfs/dbraw/zinc/33/76/15/296337615.db2.gz YCLYXYHYFHNDPD-MOPGFXCFSA-N 2 0 301.478 2.555 20 0 DFADRP C[C@H]1C[N@H+](CCC(=O)Nc2cccc3ccccc32)C[C@H]1C[NH3+] ZINC000631841742 399506096 /nfs/dbraw/zinc/50/60/96/399506096.db2.gz PDSLJOBFWFVELB-GOEBONIOSA-N 2 0 311.429 2.695 20 0 DFADRP C[C@@H]1C[N@H+](Cc2ccc(C(=O)Nc3ccccc3)cc2)C[C@H]1C[NH3+] ZINC000631841419 399506318 /nfs/dbraw/zinc/50/63/18/399506318.db2.gz KKGPDCTYYSEGHU-CRAIPNDOSA-N 2 0 323.440 2.966 20 0 DFADRP Cc1nc(C[NH3+])ccc1[C@@H](C)NC1CC[NH+](CC(C)C)CC1 ZINC000422819306 296339127 /nfs/dbraw/zinc/33/91/27/296339127.db2.gz MPRBHEMHQPVUKD-CQSZACIVSA-N 2 0 304.482 2.620 20 0 DFADRP C[C@@H](CCCC[NH3+])[NH2+]CCc1nccn1Cc1ccccc1 ZINC000422820584 296339267 /nfs/dbraw/zinc/33/92/67/296339267.db2.gz RIPDQNGWPKGXBU-INIZCTEOSA-N 2 0 300.450 2.581 20 0 DFADRP c1ccc2c(c1)O[C@]1(CC[NH2+]C1)C[C@H]2[NH2+][C@H]1CCCSC1 ZINC000422815243 296338355 /nfs/dbraw/zinc/33/83/55/296338355.db2.gz BAZJVRSEWRAAMI-YSVLISHTSA-N 2 0 304.459 2.728 20 0 DFADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+][C@H](C)c1ccc2c(c1)OCO2 ZINC000422815330 296338431 /nfs/dbraw/zinc/33/84/31/296338431.db2.gz XKHWFGFUYTWQID-VXGBXAGGSA-N 2 0 313.401 2.989 20 0 DFADRP CC[C@@H]1Oc2cc([C@@H](C)[NH2+][C@H](C)CCCC[NH3+])ccc2NC1=O ZINC000422816114 296338476 /nfs/dbraw/zinc/33/84/76/296338476.db2.gz ZCBJBSCIZGJXFI-IOASZLSFSA-N 2 0 319.449 2.964 20 0 DFADRP c1cc(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)cc(N2CCCC2)n1 ZINC000422817974 296338616 /nfs/dbraw/zinc/33/86/16/296338616.db2.gz IZADMUWGPPCVBN-KZNAEPCWSA-N 2 0 314.477 2.692 20 0 DFADRP C[C@@H](c1ccc2ccccc2c1)[N@@H+]1CC[C@@H](n2cc(C[NH3+])nn2)C1 ZINC000631846250 399507681 /nfs/dbraw/zinc/50/76/81/399507681.db2.gz WXXPFNYYUGVBSM-IFXJQAMLSA-N 2 0 321.428 2.898 20 0 DFADRP CC(C)(C[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccc2c(c1)OCCO2 ZINC000422823391 296339776 /nfs/dbraw/zinc/33/97/76/296339776.db2.gz LKYULCZCNWIWLR-XYPWUTKMSA-N 2 0 316.445 2.608 20 0 DFADRP CC[NH+](CC)[C@H](CN[C@H](C)[C@H]1CCC[NH2+]1)Cc1ccccc1 ZINC000422828727 296340643 /nfs/dbraw/zinc/34/06/43/296340643.db2.gz GPKJUCMUMGBEJP-NZSAHSFTSA-N 2 0 303.494 2.670 20 0 DFADRP CC[NH+](CC)[C@H](CN[C@@H](C)[C@H]1CCC[NH2+]1)Cc1ccccc1 ZINC000422828732 296340684 /nfs/dbraw/zinc/34/06/84/296340684.db2.gz GPKJUCMUMGBEJP-YTQUADARSA-N 2 0 303.494 2.670 20 0 DFADRP C[C@H]([NH2+]Cc1ccc(-c2ccc3c(c2)CCO3)cc1)C1C[NH2+]C1 ZINC000422832852 296341575 /nfs/dbraw/zinc/34/15/75/296341575.db2.gz GHQDDAJXKIXLRB-AWEZNQCLSA-N 2 0 308.425 2.986 20 0 DFADRP Cc1ccc([C@H](CN[C@@H]2CCC[C@H]2C[NH3+])[NH+]2CCCC2)cc1 ZINC000422833770 296341764 /nfs/dbraw/zinc/34/17/64/296341764.db2.gz WNZQQVZVJJYQJG-OTWHNJEPSA-N 2 0 301.478 2.849 20 0 DFADRP C[C@H](C[NH2+][C@@H]1CCC[C@H]1[NH3+])Oc1ccccc1Br ZINC000422836856 296341965 /nfs/dbraw/zinc/34/19/65/296341965.db2.gz KSBLQEOAKFWQSY-RAIGVLPGSA-N 2 0 313.239 2.686 20 0 DFADRP C[NH+](C)[C@@H]1CCC[C@H](N[C@H]2CC[NH2+][C@@H](c3ccccc3)C2)C1 ZINC000422836439 296342067 /nfs/dbraw/zinc/34/20/67/296342067.db2.gz KFOKWAHVIZHHTN-INDMIFKZSA-N 2 0 301.478 2.942 20 0 DFADRP CC[NH+](CC)[C@H](CN[C@H](C)[C@H]1CC[NH2+]C1)Cc1ccccc1 ZINC000422836468 296342174 /nfs/dbraw/zinc/34/21/74/296342174.db2.gz RFHRPANSTWBTTD-NEWSRXKRSA-N 2 0 303.494 2.527 20 0 DFADRP COc1ccccc1N1CCC([NH2+][C@H](C)CCCC[NH3+])CC1 ZINC000422842701 296342949 /nfs/dbraw/zinc/34/29/49/296342949.db2.gz YZJSLJXBXYIYHL-OAHLLOKOSA-N 2 0 305.466 2.771 20 0 DFADRP C[C@@H](C[C@H]1CCCCC[NH2+]1)[NH2+]CCC(=O)N1CCCCCC1 ZINC000422843006 296342980 /nfs/dbraw/zinc/34/29/80/296342980.db2.gz GRFAUNPOVXRLJT-DLBZAZTESA-N 2 0 309.498 2.680 20 0 DFADRP C[C@@H]1CC[NH2+]CC[C@H]1NC1CC[NH+](CCc2ccccc2)CC1 ZINC000422842444 296343138 /nfs/dbraw/zinc/34/31/38/296343138.db2.gz FWQRRGWATKMODO-YLJYHZDGSA-N 2 0 315.505 2.671 20 0 DFADRP COc1ccccc1N1CC[C@H](C[NH2+][C@H]2CCCC[C@H]2C[NH3+])C1 ZINC000422845261 296343809 /nfs/dbraw/zinc/34/38/09/296343809.db2.gz BINCSMNCIKANCY-IKGGRYGDSA-N 2 0 317.477 2.629 20 0 DFADRP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]Cc1ccc(NC(=O)c2ccncc2)cc1 ZINC000422845657 296343811 /nfs/dbraw/zinc/34/38/11/296343811.db2.gz OMMXULMVMZLIBE-WMZOPIPTSA-N 2 0 324.428 2.551 20 0 DFADRP CC[C@@H]([NH2+]C[C@@H]1CCN(c2ccccc2OC)C1)[C@@H]1CCC[NH2+]1 ZINC000422846677 296344017 /nfs/dbraw/zinc/34/40/17/296344017.db2.gz GDRYYQAJTJOBLK-BBWFWOEESA-N 2 0 317.477 2.642 20 0 DFADRP CC(C)(C[NH2+][C@@H]1CCOC[C@H]1[C@@H]1CCC[NH2+]1)c1ccccc1F ZINC000422846392 296344079 /nfs/dbraw/zinc/34/40/79/296344079.db2.gz FJKDSWVNEAXUCH-JCGIZDLHSA-N 2 0 320.452 2.850 20 0 DFADRP C[C@H](CC[NH2+][C@@H]1CCOC[C@H]1[C@H]1CCC[NH2+]1)c1ccccc1 ZINC000422853347 296345191 /nfs/dbraw/zinc/34/51/91/296345191.db2.gz SAODVYHIFGUDME-QXCFHYIPSA-N 2 0 302.462 2.927 20 0 DFADRP COc1ccccc1N1CC[C@@H](C[NH2+][C@H](C)[C@@H]2CCCC[NH2+]2)C1 ZINC000422853310 296345260 /nfs/dbraw/zinc/34/52/60/296345260.db2.gz RXRSKQPKNHGYEB-IKGGRYGDSA-N 2 0 317.477 2.642 20 0 DFADRP COC1CC([NH2+]Cc2ccccc2C[NH+]2C[C@H](C)O[C@@H](C)C2)C1 ZINC000347361098 285014398 /nfs/dbraw/zinc/01/43/98/285014398.db2.gz IWYSOXZZQQOHJR-GKVPXEHWSA-N 2 0 318.461 2.563 20 0 DFADRP CC[C@@H]([NH2+]C1CCN(c2ccccn2)CC1)[C@H]1CCCC[NH2+]1 ZINC000422860840 296346577 /nfs/dbraw/zinc/34/65/77/296346577.db2.gz LWUHWVUEHXBRMQ-IAGOWNOFSA-N 2 0 302.466 2.561 20 0 DFADRP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+][C@H]1CCN(c2ccccc2)C1 ZINC000422865469 296346949 /nfs/dbraw/zinc/34/69/49/296346949.db2.gz YEIZORRIJBUCLL-XKGZKEIXSA-N 2 0 309.457 2.813 20 0 DFADRP CC[C@@H](C(=O)N[C@@](C)(C[NH3+])CC(C)C)[N@H+](C)Cc1ccccc1 ZINC000422866366 296347004 /nfs/dbraw/zinc/34/70/04/296347004.db2.gz QIGGHFLFHNFGSV-PKOBYXMFSA-N 2 0 319.493 2.777 20 0 DFADRP CCOCCOCc1cccc(C[NH2+][C@@H]2CC[NH2+]CC[C@H]2C)c1 ZINC000422858531 296345862 /nfs/dbraw/zinc/34/58/62/296345862.db2.gz IWUCVOGPFMXSJA-VQIMIIECSA-N 2 0 320.477 2.717 20 0 DFADRP Cc1ccc(C[NH2+][C@@H](C)CCC[NH3+])c(OC[C@H]2CCCO2)c1 ZINC000422872030 296347889 /nfs/dbraw/zinc/34/78/89/296347889.db2.gz FJUSWPKZYXXVTD-DOTOQJQBSA-N 2 0 306.450 2.770 20 0 DFADRP COc1cc2[nH]c(CCC[NH2+][C@@H](C)C[C@@H](C)[NH3+])cc2c(OC)c1 ZINC000422866776 296347245 /nfs/dbraw/zinc/34/72/45/296347245.db2.gz RBNYMFHVSQXQHE-OLZOCXBDSA-N 2 0 319.449 2.833 20 0 DFADRP CC1CC[NH+](CCN[C@@H]2CC[NH2+][C@H](c3ccccc3)C2)CC1 ZINC000422868961 296347295 /nfs/dbraw/zinc/34/72/95/296347295.db2.gz WJTGOGLVVZDRMO-MOPGFXCFSA-N 2 0 301.478 2.801 20 0 DFADRP COCCCOc1cc(C)ccc1C[NH2+][C@@H]1CCC[C@H]1C[NH3+] ZINC000422869061 296347549 /nfs/dbraw/zinc/34/75/49/296347549.db2.gz WAGMDUNNIADWLJ-DOTOQJQBSA-N 2 0 306.450 2.627 20 0 DFADRP COc1ccc(C[NH2+][C@@H]2CCC[C@@H]2C[NH3+])c(C(F)(F)F)c1 ZINC000422877213 296349204 /nfs/dbraw/zinc/34/92/04/296349204.db2.gz HJGAFPUSVRTDBH-QMTHXVAHSA-N 2 0 302.340 2.931 20 0 DFADRP C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccc(CN[C@H]3CC[NH2+]C3)cc2)C1 ZINC000422874914 296348781 /nfs/dbraw/zinc/34/87/81/296348781.db2.gz DPLJBQPGPIFJFI-FCEWJHQRSA-N 2 0 301.478 2.616 20 0 DFADRP COC1CC([NH2+]C2[C@H](C)C[NH+](Cc3ccccc3)C[C@H]2C)C1 ZINC000347391154 285028009 /nfs/dbraw/zinc/02/80/09/285028009.db2.gz NZXULYKMAFAJSQ-RCDYEMGKSA-N 2 0 302.462 2.910 20 0 DFADRP Cc1ccc(Cl)cc1N1CC[C@@H](C[NH2+][C@@H](C)C2C[NH2+]C2)C1 ZINC000422881600 296349918 /nfs/dbraw/zinc/34/99/18/296349918.db2.gz QQPWVPVKWHWEST-KBPBESRZSA-N 2 0 307.869 2.672 20 0 DFADRP Cc1nc(C[NH3+])ccc1[C@H](C)NCCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000422884007 296350043 /nfs/dbraw/zinc/35/00/43/296350043.db2.gz RGEGOBQEBICDOX-JYJNAYRXSA-N 2 0 318.509 2.867 20 0 DFADRP Cc1nc(C[NH3+])ccc1[C@@H](C)NCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000422884009 296350182 /nfs/dbraw/zinc/35/01/82/296350182.db2.gz RGEGOBQEBICDOX-OWCLPIDISA-N 2 0 318.509 2.867 20 0 DFADRP COc1ccc(CC[NH2+][C@@H](C)C[C@@H](C)[NH3+])cc1OC(F)F ZINC000422879834 296349495 /nfs/dbraw/zinc/34/94/95/296349495.db2.gz MVDVJELSODFMHQ-MNOVXSKESA-N 2 0 302.365 2.555 20 0 DFADRP COC[C@@H](CCC[NH3+])[NH2+][C@H](C)c1cccc(N2CCCC2)c1 ZINC000422879941 296349525 /nfs/dbraw/zinc/34/95/25/296349525.db2.gz WFOKSVQIYJNKMC-NVXWUHKLSA-N 2 0 305.466 2.691 20 0 DFADRP COc1ccc(C[NH2+][C@H](C)[C@H]2CC[NH2+]C2)cc1Br ZINC000422885629 296350613 /nfs/dbraw/zinc/35/06/13/296350613.db2.gz YZZFEEGRKJFXEG-PWSUYJOCSA-N 2 0 313.239 2.545 20 0 DFADRP COC1CC[NH+](C(C)(C)CN[C@@H]2C[C@H]([NH3+])c3ccccc32)CC1 ZINC000422891293 296351556 /nfs/dbraw/zinc/35/15/56/296351556.db2.gz VBYRXTPMEFXNIG-ZWKOTPCHSA-N 2 0 317.477 2.610 20 0 DFADRP C[C@H]([NH2+][C@H]1[C@H](C)C[N@@H+](Cc2ccccc2)C[C@@H]1C)[C@H]1CC[NH2+]C1 ZINC000422891025 296351632 /nfs/dbraw/zinc/35/16/32/296351632.db2.gz UKTMMCCVILLYIS-SQIBXOBRSA-N 3 0 315.505 2.731 20 0 DFADRP C[C@@H]([NH3+])c1ccc(CNC(=O)c2ccccc2C[NH+](C)C)cc1 ZINC000422885051 296350638 /nfs/dbraw/zinc/35/06/38/296350638.db2.gz GHQUSSBQMLQGCQ-CQSZACIVSA-N 2 0 311.429 2.698 20 0 DFADRP COc1cc([C@H](C)[NH2+][C@H](C)CCCC[NH3+])cc(OC)c1OC ZINC000422887791 296350800 /nfs/dbraw/zinc/35/08/00/296350800.db2.gz ZMLLDDLRXVTOEZ-OLZOCXBDSA-N 2 0 310.438 2.881 20 0 DFADRP CC[C@H](C)NC(=O)c1cccc(C[NH2+][C@H]2CC[NH2+]CC[C@@H]2C)c1 ZINC000422887606 296350903 /nfs/dbraw/zinc/35/09/03/296350903.db2.gz BKVWKGQWMQMANN-MPGHIAIKSA-N 2 0 317.477 2.693 20 0 DFADRP CC[C@@H]([NH2+]C[C@H]1CCN(c2cccc(OC)c2)C1)[C@@H]1CCC[NH2+]1 ZINC000422899751 296352797 /nfs/dbraw/zinc/35/27/97/296352797.db2.gz IFIXRLYRESATLV-LZQZEXGQSA-N 2 0 317.477 2.642 20 0 DFADRP CC[C@@H]([NH2+]C[C@@H]1CCN(c2cccc(OC)c2)C1)[C@@H]1CCC[NH2+]1 ZINC000422899750 296352858 /nfs/dbraw/zinc/35/28/58/296352858.db2.gz IFIXRLYRESATLV-IPELMVKDSA-N 2 0 317.477 2.642 20 0 DFADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]C[C@@H]1CCN(c2ccc(F)cc2)C1 ZINC000422900047 296352879 /nfs/dbraw/zinc/35/28/79/296352879.db2.gz PTNOLNUMCFVIHK-VKJFTORMSA-N 2 0 305.441 2.630 20 0 DFADRP C[C@H]1CC[NH2+]CC[C@@H]1[NH2+]CC1CC[NH+](Cc2ccccc2)CC1 ZINC000422900921 296352974 /nfs/dbraw/zinc/35/29/74/296352974.db2.gz KIKKDOIAZAAFJI-PXNSSMCTSA-N 3 0 315.505 2.876 20 0 DFADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]C[C@H]1CCN(c2ccc(F)cc2)C1 ZINC000422901255 296353151 /nfs/dbraw/zinc/35/31/51/296353151.db2.gz RSSPATGPTFGVPQ-VKJFTORMSA-N 2 0 305.441 2.759 20 0 DFADRP CCCOc1ccc(C[NH2+][C@@H]2CCOC[C@H]2[C@@H]2CCC[NH2+]2)cc1 ZINC000422902211 296353301 /nfs/dbraw/zinc/35/33/01/296353301.db2.gz UDNIENMQCCWIIE-GBESFXJTSA-N 2 0 318.461 2.722 20 0 DFADRP [NH3+][C@@H]1C[C@@H](NC2CC[NH+](Cc3ccccn3)CC2)c2ccccc21 ZINC000422897707 296352385 /nfs/dbraw/zinc/35/23/85/296352385.db2.gz KERTYIJJAOQYPX-WOJBJXKFSA-N 2 0 322.456 2.780 20 0 DFADRP C[C@H](C[C@@H]1CCCO1)[NH2+][C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422898568 296352496 /nfs/dbraw/zinc/35/24/96/296352496.db2.gz FKTGBONYKWJFFB-LORHWOILSA-N 2 0 316.445 2.790 20 0 DFADRP CC[NH+](CC)CCOc1ccccc1C[NH2+][C@H]1CCC[C@H]1C[NH3+] ZINC000422897345 296352564 /nfs/dbraw/zinc/35/25/64/296352564.db2.gz ZQMYHNDQSOQMQX-WMZOPIPTSA-N 3 0 319.493 2.624 20 0 DFADRP CCOC1CC([NH+](C)CC(C)C[N@@H+](C)C2CC(OCC)C2)C1 ZINC000347453904 285045398 /nfs/dbraw/zinc/04/53/98/285045398.db2.gz MXJYRHUAIRGQLO-UHFFFAOYSA-N 2 0 312.498 2.621 20 0 DFADRP CCCCOc1ccc(CC[NH2+][C@@H]2CCOC[C@@H]2[C@@H](C)[NH3+])cc1 ZINC000422904037 296354015 /nfs/dbraw/zinc/35/40/15/296354015.db2.gz WTBUYUGYAMUVQC-ATZDWAIDSA-N 2 0 320.477 2.750 20 0 DFADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]CCCc1nc2c(s1)CCCC2 ZINC000422906107 296354260 /nfs/dbraw/zinc/35/42/60/296354260.db2.gz JDHJOPHWWCQBEX-KGLIPLIRSA-N 2 0 307.507 2.932 20 0 DFADRP CC(C)c1nc(CC[NH2+][C@@H]2CCOC[C@H]2[C@@H]2CCC[NH2+]2)cs1 ZINC000422907262 296354295 /nfs/dbraw/zinc/35/42/95/296354295.db2.gz WSEBLBNVWKFNLP-HRCADAONSA-N 2 0 323.506 2.556 20 0 DFADRP CCc1nc(CN2CCC(C[NH2+][C@@H](C)C[C@@H](C)[NH3+])CC2)cs1 ZINC000422913838 296355310 /nfs/dbraw/zinc/35/53/10/296355310.db2.gz QWFYKMOLECUIHZ-KGLIPLIRSA-N 2 0 324.538 2.633 20 0 DFADRP CCOC(=O)C1([C@H](C)[NH2+]CC(C)(C)CC(C)C)CC[NH2+]CC1 ZINC000422919571 296355600 /nfs/dbraw/zinc/35/56/00/296355600.db2.gz KARIHJYHCDZKDA-HNNXBMFYSA-N 2 0 312.498 2.970 20 0 DFADRP C[N@@H+]1CCC[C@H]2CN(C(=O)c3ccc(-c4c[nH]cn4)cc3)CC[C@H]21 ZINC000631881523 399516308 /nfs/dbraw/zinc/51/63/08/399516308.db2.gz BQGFDCCJLSMVRD-FUHWJXTLSA-N 2 0 324.428 2.633 20 0 DFADRP CC(C)[C@@H](C[NH2+][C@@H](C)CCC[NH3+])N1CCc2ccccc2C1 ZINC000422925186 296356132 /nfs/dbraw/zinc/35/61/32/296356132.db2.gz APSCKKUWQQZFJD-QFBILLFUSA-N 2 0 303.494 2.786 20 0 DFADRP CSC1(C[NH2+][C@H](C)C[C@H]2CCCCC[NH2+]2)CCOCC1 ZINC000422917262 296355147 /nfs/dbraw/zinc/35/51/47/296355147.db2.gz FSXJRUGSYOBPLF-HUUCEWRRSA-N 2 0 300.512 2.799 20 0 DFADRP CC[C@H]([NH2+]CCCOc1cccc(OC)c1)[C@H]1CCCC[NH2+]1 ZINC000422926883 296356468 /nfs/dbraw/zinc/35/64/68/296356468.db2.gz XTEDSRZYYSBKMD-ZWKOTPCHSA-N 2 0 306.450 2.974 20 0 DFADRP COc1cc(OC)cc(OCCC[NH2+][C@@H]2CCCCC[C@@H]2[NH3+])c1 ZINC000422929027 296356513 /nfs/dbraw/zinc/35/65/13/296356513.db2.gz NYFNCJCQPJFKTG-ZWKOTPCHSA-N 2 0 322.449 2.722 20 0 DFADRP CC[C@@H](Cc1ccccc1Br)[NH2+][C@H](C)C1C[NH2+]C1 ZINC000422928201 296356597 /nfs/dbraw/zinc/35/65/97/296356597.db2.gz JLYXNRRATFLWPK-RISCZKNCSA-N 2 0 311.267 2.968 20 0 DFADRP O=C(c1ccc(C[NH2+][C@H]2CCC[NH2+]CC2)cc1)N1CCCCC1 ZINC000422927904 296356626 /nfs/dbraw/zinc/35/66/26/296356626.db2.gz HSEMUFPVGQNFQR-SFHVURJKSA-N 2 0 315.461 2.544 20 0 DFADRP [NH3+][C@@H]1CCC[C@@H]1[NH2+]CCc1ccc(F)c(Br)c1 ZINC000422931305 296356878 /nfs/dbraw/zinc/35/68/78/296356878.db2.gz BMAUVIKAEWIBAL-OLZOCXBDSA-N 2 0 301.203 2.600 20 0 DFADRP CC[C@H]([NH2+]CCCc1ccc2c(c1)OCCO2)[C@@H]1CCC[NH2+]1 ZINC000422931332 296356882 /nfs/dbraw/zinc/35/68/82/296356882.db2.gz XGTLMPTWFNLKNY-HOTGVXAUSA-N 2 0 304.434 2.511 20 0 DFADRP Clc1ccc(C[NH2+][C@@H]2CCOC[C@@H]2[C@@H]2CCC[NH2+]2)s1 ZINC000422925247 296356229 /nfs/dbraw/zinc/35/62/29/296356229.db2.gz ASONIOOSWNQBEG-FRRDWIJNSA-N 2 0 300.855 2.648 20 0 DFADRP C[C@H]([NH2+]Cc1cc(Cl)c2c(c1)OCCCO2)[C@H]1CC[NH2+]C1 ZINC000422926118 296356253 /nfs/dbraw/zinc/35/62/53/296356253.db2.gz CLCWWQQDNWTZGZ-AAEUAGOBSA-N 2 0 310.825 2.589 20 0 DFADRP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccc2c(c1)OCCCO2 ZINC000422936512 296358016 /nfs/dbraw/zinc/35/80/16/296358016.db2.gz IKVJWALGBILPPW-SLHHOWHOSA-N 2 0 302.418 2.782 20 0 DFADRP CC(C)c1noc(CCC[NH2+][C@H](Cc2ccccc2)[C@@H](C)[NH3+])n1 ZINC000422943620 296358668 /nfs/dbraw/zinc/35/86/68/296358668.db2.gz YNSNNRPIOOOPIH-GDBMZVCRSA-N 2 0 316.449 2.674 20 0 DFADRP CC[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccc2c(c1)OCCO2 ZINC000422934642 296357527 /nfs/dbraw/zinc/35/75/27/296357527.db2.gz CUIGNZYJANLJAD-QXULXFAOSA-N 2 0 302.418 2.782 20 0 DFADRP CC[C@@H](C)C(=O)Nc1cccc(C[NH2+][C@@H]2CCC[NH2+]CC2)c1 ZINC000422951567 296359971 /nfs/dbraw/zinc/35/99/71/296359971.db2.gz ZAYNVZPUIUNRBU-GDBMZVCRSA-N 2 0 303.450 2.903 20 0 DFADRP COc1cccc([C@H](CN[C@@H]2CC[N@@H+]3CCC[C@H]3C2)[NH+](C)C)c1 ZINC000269955433 208005292 /nfs/dbraw/zinc/00/52/92/208005292.db2.gz KGWGIWLZBMHTIG-AOIWGVFYSA-N 2 0 317.477 2.514 20 0 DFADRP CC(C)c1ccc(OCC[NH2+][C@@H]2CCOC[C@@H]2[C@H](C)[NH3+])cc1 ZINC000422950685 296359978 /nfs/dbraw/zinc/35/99/78/296359978.db2.gz WNBYDWFUQBQEHU-BMGDILEWSA-N 2 0 306.450 2.531 20 0 DFADRP c1cn(Cc2ccccc2C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)cn1 ZINC000269994031 208046023 /nfs/dbraw/zinc/04/60/23/208046023.db2.gz VRYKAIGVSHGYHX-MOPGFXCFSA-N 2 0 310.445 2.648 20 0 DFADRP C[C@@H]1C[NH+](Cc2cccc(N[C@@H]3CCC[NH2+]CC3)c2)C[C@@H](C)O1 ZINC000422955829 296360776 /nfs/dbraw/zinc/36/07/76/296360776.db2.gz NSKFWIFAAPJDRI-JFIYKMOQSA-N 2 0 317.477 2.850 20 0 DFADRP Cc1csc([C@H](C)[NH2+]CC2CC[NH+](C3CCOCC3)CC2)n1 ZINC000624009900 399521918 /nfs/dbraw/zinc/52/19/18/399521918.db2.gz DELZYGISYFGXRU-AWEZNQCLSA-N 2 0 323.506 2.993 20 0 DFADRP [NH3+][C@H]1CCCCC[C@@H]1[NH2+]CCCC(=O)N1CCc2ccccc21 ZINC000422953345 296360422 /nfs/dbraw/zinc/36/04/22/296360422.db2.gz FIJXUXYHSZININ-IRXDYDNUSA-N 2 0 315.461 2.606 20 0 DFADRP C[C@@H]1C[NH+](Cc2cccc(N[C@@H]3C[NH2+]CC[C@H]3C)c2)C[C@@H](C)O1 ZINC000422953573 296360451 /nfs/dbraw/zinc/36/04/51/296360451.db2.gz FRDBSZJMPRUREQ-YKTARERQSA-N 2 0 317.477 2.706 20 0 DFADRP c1cn(-c2ccccc2C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)cn1 ZINC000422966987 296362033 /nfs/dbraw/zinc/36/20/33/296362033.db2.gz OMDQITZBSWOJEJ-FGTMMUONSA-N 2 0 310.445 2.883 20 0 DFADRP C[C@H](Nc1cccc(C[NH+]2CCSCC2)c1)[C@H]1CC[NH2+]C1 ZINC000422957654 296361145 /nfs/dbraw/zinc/36/11/45/296361145.db2.gz USUJLBKAXLEJLN-HOCLYGCPSA-N 2 0 305.491 2.645 20 0 DFADRP CC1CC[NH+](Cc2ccccc2CN[C@@H]2CCC[C@H]2[NH3+])CC1 ZINC000422968220 296362749 /nfs/dbraw/zinc/36/27/49/296362749.db2.gz QRXKZYQLMJPMOJ-RTBURBONSA-N 2 0 301.478 2.888 20 0 DFADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]Cc1ccc(OC2CCCC2)nc1 ZINC000422971197 296362904 /nfs/dbraw/zinc/36/29/04/296362904.db2.gz IGNGKCJSHQYQQU-PBHICJAKSA-N 2 0 303.450 2.881 20 0 DFADRP c1cc(OCC2CC2)ncc1C[NH2+][C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000422970703 296362921 /nfs/dbraw/zinc/36/29/21/296362921.db2.gz GXWCHEIHIMXASF-RCCFBDPRSA-N 2 0 315.461 2.881 20 0 DFADRP C[C@H]1CC[NH2+]CC[C@H]1[NH2+]Cc1ccc(OC2CCCC2)nc1 ZINC000422971199 296363131 /nfs/dbraw/zinc/36/31/31/296363131.db2.gz IGNGKCJSHQYQQU-WMLDXEAASA-N 2 0 303.450 2.881 20 0 DFADRP CC(C)[C@H](CN[C@H](Cc1ccccc1)[C@H](C)[NH3+])[NH+]1CCCC1 ZINC000422967109 296362559 /nfs/dbraw/zinc/36/25/59/296362559.db2.gz SJQAOPNPHTXEDX-UHOSZYNNSA-N 2 0 303.494 2.655 20 0 DFADRP CCOC(=O)C1([C@@H](C)[NH2+][C@@H](C)CCc2ccco2)CC[NH2+]CC1 ZINC000422969286 296362617 /nfs/dbraw/zinc/36/26/17/296362617.db2.gz ZMSCADSPPHALLJ-LSDHHAIUSA-N 2 0 322.449 2.512 20 0 DFADRP C[C@H]([NH3+])[C@H]1COCC[C@H]1[NH2+]CCOc1cccc(C(C)(C)C)c1 ZINC000422983281 296363969 /nfs/dbraw/zinc/36/39/69/296363969.db2.gz SPAOZKALLBUYTK-BMGDILEWSA-N 2 0 320.477 2.705 20 0 DFADRP C[C@@H]1C[C@H](C[NH2+][C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)CCO1 ZINC000422996633 296365272 /nfs/dbraw/zinc/36/52/72/296365272.db2.gz UEEOTCFBMHNRLV-IIHSZXCVSA-N 2 0 316.445 2.647 20 0 DFADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]CCc1cnc(C2CC2)nc1 ZINC000423009535 296367010 /nfs/dbraw/zinc/36/70/10/296367010.db2.gz DFANCWDSKYQACM-PBHICJAKSA-N 2 0 302.466 2.797 20 0 DFADRP Cc1ccc([C@H](Cn2ccnc2)[NH2+][C@H](C)C[C@@H](C)[NH3+])c(C)c1 ZINC000423007882 296366756 /nfs/dbraw/zinc/36/67/56/296366756.db2.gz YXUBPJFZCJDODJ-NUJGCVRESA-N 2 0 300.450 2.957 20 0 DFADRP Fc1ccc([C@@H]2OCC[C@H]2[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1F ZINC000423014788 296367652 /nfs/dbraw/zinc/36/76/52/296367652.db2.gz JKCOPCBIMFONFM-BKYREZJBSA-N 2 0 308.372 2.667 20 0 DFADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]CCOc1cccc(C(F)(F)F)n1 ZINC000423014875 296367852 /nfs/dbraw/zinc/36/78/52/296367852.db2.gz PZEIKWGGXFHQRD-RYUDHWBXSA-N 2 0 317.355 2.586 20 0 DFADRP COc1ccc(OC)c(CCC[NH2+][C@H]2CCCCC[C@H]2[NH3+])c1 ZINC000423015752 296368064 /nfs/dbraw/zinc/36/80/64/296368064.db2.gz RLAHSWYWSZRUAR-SJORKVTESA-N 2 0 306.450 2.886 20 0 DFADRP [NH3+]CC1CCC([NH2+][C@H]2CCCN(c3ccccc3F)C2)CC1 ZINC000423016281 296368084 /nfs/dbraw/zinc/36/80/84/296368084.db2.gz SPIYOSHFZWVVTA-GPANFISMSA-N 2 0 305.441 2.902 20 0 DFADRP C[C@H]([NH3+])C[C@H](C)[NH2+][C@H]1CCN(C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000423012402 296367526 /nfs/dbraw/zinc/36/75/26/296367526.db2.gz KRFNQVNIJBWSFP-KUDNYVPYSA-N 2 0 313.848 2.940 20 0 DFADRP CC1(C[NH2+][C@@H]2CCOC[C@H]2[C@H]2CCC[NH2+]2)Cc2ccccc2C1 ZINC000423017871 296368647 /nfs/dbraw/zinc/36/86/47/296368647.db2.gz PRJMLAFKRYUCHX-IPMKNSEASA-N 2 0 314.473 2.538 20 0 DFADRP CCC(CC)(C[NH2+][C@@H](Cc1ccccc1)[C@H](C)[NH3+])C(=O)OC ZINC000423036035 296370143 /nfs/dbraw/zinc/37/01/43/296370143.db2.gz KOKTUYYGWWRUGT-HOCLYGCPSA-N 2 0 306.450 2.514 20 0 DFADRP Cc1cccc2c1C[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@H]3CCC[C@H]31)CO2 ZINC000624070620 399542857 /nfs/dbraw/zinc/54/28/57/399542857.db2.gz LFHWPAFYBBHEPZ-ONIAQPFYSA-N 2 0 300.446 2.761 20 0 DFADRP C[C@H]([NH3+])[C@@H]1COCC[C@H]1[NH2+]CC1(c2ccccc2Cl)CC1 ZINC000423028908 296369760 /nfs/dbraw/zinc/36/97/60/296369760.db2.gz TYQHOLTTZIDOOU-HEHGZKQESA-N 2 0 308.853 2.714 20 0 DFADRP CS[C@H](C[NH2+][C@@H]1CCOC[C@H]1[C@H]1CCC[NH2+]1)C(C)(C)C ZINC000423031986 296370014 /nfs/dbraw/zinc/37/00/14/296370014.db2.gz LYWUFUDZGWWWMY-GBJTYRQASA-N 2 0 300.512 2.511 20 0 DFADRP Fc1ccc(-c2noc(CCC[NH2+][C@@H]3CCC[NH2+]CC3)n2)cc1 ZINC000423030896 296370056 /nfs/dbraw/zinc/37/00/56/296370056.db2.gz KDUMGJWSYVWXQY-OAHLLOKOSA-N 2 0 318.396 2.540 20 0 DFADRP [NH3+][C@@H]1CCC[C@H]1[NH2+]CCc1c[nH]c2ccc(Br)cc12 ZINC000423037681 296370602 /nfs/dbraw/zinc/37/06/02/296370602.db2.gz WOPSFTKTASGQFV-UKRRQHHQSA-N 2 0 322.250 2.942 20 0 DFADRP COc1cccc([C@@H]2[C@H]([NH2+][C@@H](C)C[C@@H](C)[NH3+])CCN2C2CC2)c1 ZINC000423041745 296370804 /nfs/dbraw/zinc/37/08/04/296370804.db2.gz JQCLQIJPMMINDS-GTYSZEQSSA-N 2 0 317.477 2.688 20 0 DFADRP Cc1nn(CC(F)(F)F)c(C)c1[C@@H](C)[NH2+][C@H](C)CCC[NH3+] ZINC000423042224 296370945 /nfs/dbraw/zinc/37/09/45/296370945.db2.gz KPEDRJADYJZREQ-NXEZZACHSA-N 2 0 306.376 2.840 20 0 DFADRP Cc1nn(CC(F)(F)F)c(C)c1[C@@H](C)[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000423041744 296371009 /nfs/dbraw/zinc/37/10/09/296371009.db2.gz JQALCHXDDYZTLI-ZWNOBZJWSA-N 2 0 318.387 2.855 20 0 DFADRP Clc1ccc(N2CC[C@@H]([NH2+]C3CC[NH2+]CC3)C2)cc1Cl ZINC000423045822 296371634 /nfs/dbraw/zinc/37/16/34/296371634.db2.gz SRVRYGMZTDQDQA-GFCCVEGCSA-N 2 0 314.260 2.914 20 0 DFADRP COc1ccccc1[C@H](C[NH2+][C@@H]1CCC[C@H]1C[NH3+])OC(C)C ZINC000423053415 296372441 /nfs/dbraw/zinc/37/24/41/296372441.db2.gz RZPXXQSBPWJHIF-LESCRADOSA-N 2 0 306.450 2.878 20 0 DFADRP CCC(CC)(C[NH2+][C@@H](C)C1C[NH2+]C1)c1ccc(OC)c(OC)c1 ZINC000423055735 296372826 /nfs/dbraw/zinc/37/28/26/296372826.db2.gz WYQKFTUQLAAMBH-AWEZNQCLSA-N 2 0 320.477 2.959 20 0 DFADRP C[C@H](N[C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1)[C@H]1CCC[NH2+]1 ZINC000423049471 296372117 /nfs/dbraw/zinc/37/21/17/296372117.db2.gz XRYILYJTMLCWTA-PBWTXFEYSA-N 2 0 301.478 2.627 20 0 DFADRP CC[C@H]([NH2+]C[C@]1(O)CCC[C@@H](C(F)(F)F)C1)[C@@H]1CCC[NH2+]1 ZINC000423063047 296373681 /nfs/dbraw/zinc/37/36/81/296373681.db2.gz OHCBORQDEDTDGX-RFGFWPKPSA-N 2 0 308.388 2.590 20 0 DFADRP CC[C@H]([NH2+]C[C@]1(O)CCC[C@H](C(F)(F)F)C1)[C@@H]1CCCC[NH2+]1 ZINC000423058462 296373164 /nfs/dbraw/zinc/37/31/64/296373164.db2.gz JNFBZDNYDSFUCF-AJNGGQMLSA-N 2 0 322.415 2.980 20 0 DFADRP C[C@H]([NH2+]CCc1cn(C)c2cc(Cl)ccc12)[C@@H]1CC[NH2+]C1 ZINC000423063261 296373820 /nfs/dbraw/zinc/37/38/20/296373820.db2.gz OKRMHNNIGIFCIS-QWHCGFSZSA-N 2 0 305.853 2.962 20 0 DFADRP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]C[C@@H]1Cc2ccccc2N(C)C1 ZINC000423064943 296374084 /nfs/dbraw/zinc/37/40/84/296374084.db2.gz ZYXSFUWYTPHNSV-QRFRQXIXSA-N 2 0 323.484 2.843 20 0 DFADRP CC[C@@H](C)C[NH+]1CCC(C(=O)NCCC[NH+]2CCCCC2)CC1 ZINC000120209683 195120020 /nfs/dbraw/zinc/12/00/20/195120020.db2.gz FZYURMZAESQGEB-QGZVFWFLSA-N 2 0 323.525 2.737 20 0 DFADRP C[C@H]([NH3+])C[C@H](C)[NH2+]C[C@]1(Cc2ccc(F)cc2)CCC[C@H]1O ZINC000423071638 296374837 /nfs/dbraw/zinc/37/48/37/296374837.db2.gz GADHVDVQZNBWBX-LBTBCDHLSA-N 2 0 308.441 2.615 20 0 DFADRP Cc1noc(C[C@H]([NH2+][C@@H](C)CCCC[NH3+])c2ccccc2)n1 ZINC000423077324 296375690 /nfs/dbraw/zinc/37/56/90/296375690.db2.gz SYAALNVXFQKSKL-BBRMVZONSA-N 2 0 302.422 2.769 20 0 DFADRP CCCC(=O)Nc1ccc(C[NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)cc1 ZINC000158864788 197307625 /nfs/dbraw/zinc/30/76/25/197307625.db2.gz URCUNHYEHWINFW-RHSMWYFYSA-N 2 0 303.450 2.998 20 0 DFADRP COC[C@@H](CCC[NH3+])[NH2+][C@@H](c1ccc(C)cc1)c1ccccn1 ZINC000423085591 296376752 /nfs/dbraw/zinc/37/67/52/296376752.db2.gz KWMMQCTWICVWRJ-MJGOQNOKSA-N 2 0 313.445 2.823 20 0 DFADRP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]C[C@@](C)(O)C1CCCCC1 ZINC000423082993 296376484 /nfs/dbraw/zinc/37/64/84/296376484.db2.gz XZJIRSOCOCPKAJ-KFKAGJAMSA-N 2 0 304.478 2.866 20 0 DFADRP C[C@@H](CCC[NH3+])[NH2+]CCc1cccc(OCC(F)(F)F)c1 ZINC000423093679 296377412 /nfs/dbraw/zinc/37/74/12/296377412.db2.gz IKFAADQHVQSITQ-LBPRGKRZSA-N 2 0 304.356 2.887 20 0 DFADRP CC[C@H]([NH2+]C1CCN(c2nccs2)CC1)[C@H]1CCCC[NH2+]1 ZINC000423095311 296377611 /nfs/dbraw/zinc/37/76/11/296377611.db2.gz DQNMKLCPLOPAEZ-LSDHHAIUSA-N 2 0 308.495 2.622 20 0 DFADRP Fc1ccccc1[C@H]1C[C@H]([NH2+][C@@H]2CCOC[C@@H]2[C@@H]2CCC[NH2+]2)C1 ZINC000423100678 296378123 /nfs/dbraw/zinc/37/81/23/296378123.db2.gz VLHYYPNNUQOAHP-FRFIEDCNSA-N 2 0 318.436 2.818 20 0 DFADRP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]C[C@@H](CO)CC1CCCC1 ZINC000423101011 296378169 /nfs/dbraw/zinc/37/81/69/296378169.db2.gz NIGVTPHXKPGHLA-ZYSHUDEJSA-N 2 0 304.478 2.723 20 0 DFADRP CO[C@@H]1C[C@H](c2ccccc2)CC[C@@H]1[NH2+][C@@H](C)[C@H]1CC[NH2+]C1 ZINC000423101454 296378513 /nfs/dbraw/zinc/37/85/13/296378513.db2.gz CXZRHNGPMWLEQL-YCVVXREPSA-N 2 0 302.462 2.925 20 0 DFADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]CCc1ccc2c[nH]nc2c1 ZINC000423103906 296378752 /nfs/dbraw/zinc/37/87/52/296378752.db2.gz LRGCAPBTNIHPNB-LBPRGKRZSA-N 2 0 309.417 2.618 20 0 DFADRP C[C@H](CCCC[NH3+])[NH2+][C@@H](Cn1ccccc1=O)c1ccccc1 ZINC000423107812 296378977 /nfs/dbraw/zinc/37/89/77/296378977.db2.gz FGRDLQHVOPYUEQ-AEFFLSMTSA-N 2 0 313.445 2.697 20 0 DFADRP C[C@H](CCC[NH3+])[NH2+][C@H]1CCOc2c(Br)cccc21 ZINC000423110418 296379757 /nfs/dbraw/zinc/37/97/57/296379757.db2.gz HZMVSQDEWKDMCS-MFKMUULPSA-N 2 0 313.239 2.990 20 0 DFADRP C[C@H]([NH2+]C[C@@H]1CCCC[N@H+](C)C1)c1ccc2c(c1)CCC(=O)N2 ZINC000624121055 399561471 /nfs/dbraw/zinc/56/14/71/399561471.db2.gz MTGIQYVHBLWCGH-GJZGRUSLSA-N 2 0 315.461 2.954 20 0 DFADRP Cc1ccc(C(C)(C)C[NH2+][C@@H]2CCOC[C@H]2[C@@H](C)[NH3+])c(C)c1 ZINC000423124364 296381414 /nfs/dbraw/zinc/38/14/14/296381414.db2.gz GIHZXVVHHXWHAZ-SOLBZPMBSA-N 2 0 304.478 2.923 20 0 DFADRP C[C@H]([NH2+][C@H]1c2ccccc2CC12CCOCC2)[C@@H]1CC[NH2+]C1 ZINC000423124788 296381515 /nfs/dbraw/zinc/38/15/15/296381515.db2.gz PCYHPKJOTNBJJK-LESCRADOSA-N 2 0 300.446 2.668 20 0 DFADRP C[C@H]([NH2+]C1(Cc2ccccc2Br)CC1)C1C[NH2+]C1 ZINC000423121707 296381050 /nfs/dbraw/zinc/38/10/50/296381050.db2.gz BDCLWDXRYBCFSR-NSHDSACASA-N 2 0 309.251 2.722 20 0 DFADRP C[C@@H]([NH2+]C[C@@H]1CCCC[N@H+](C)C1)c1ccc2[nH]c(=O)oc2c1 ZINC000624124152 399563046 /nfs/dbraw/zinc/56/30/46/399563046.db2.gz YPOHPLVPXZGGKJ-OLZOCXBDSA-N 2 0 303.406 2.916 20 0 DFADRP CC(C)Oc1ccc([C@H](C[NH2+][C@@H](C)[C@@H]2CC[NH2+]C2)N(C)C)cc1 ZINC000423131883 296382285 /nfs/dbraw/zinc/38/22/85/296382285.db2.gz TVOFSMKCJRLXRM-WDYCEAGBSA-N 2 0 319.493 2.664 20 0 DFADRP C[C@H]([NH2+]C[C@H](Cc1ccccc1)C(F)(F)F)[C@H]1CC[NH2+]C1 ZINC000423127761 296381958 /nfs/dbraw/zinc/38/19/58/296381958.db2.gz UPRGXMAFUWOYSX-QEJZJMRPSA-N 2 0 300.368 2.995 20 0 DFADRP C[C@@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]CCCCC[NH+]1CCCC1 ZINC000423137266 296382982 /nfs/dbraw/zinc/38/29/82/296382982.db2.gz QLZKCIDVAWDJDZ-MJGOQNOKSA-N 3 0 303.494 2.801 20 0 DFADRP CCOC(=O)C1([C@H](C)[NH2+]CC(C)(C)C(C)(C)C)CC[NH2+]CC1 ZINC000423137386 296383138 /nfs/dbraw/zinc/38/31/38/296383138.db2.gz WJTBYNUZMHZKDS-AWEZNQCLSA-N 2 0 312.498 2.970 20 0 DFADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]C[C@H]1CCN(c2ccccc2F)C1 ZINC000423142112 296383850 /nfs/dbraw/zinc/38/38/50/296383850.db2.gz UASNZPOQWPLOPB-BFYDXBDKSA-N 2 0 305.441 2.630 20 0 DFADRP COc1ccc(CC[NH2+][C@H]2CCC[NH2+]CC2)c(Cl)c1OC ZINC000423140657 296383910 /nfs/dbraw/zinc/38/39/10/296383910.db2.gz ZAFPMYQQSCRLDM-ZDUSSCGKSA-N 2 0 312.841 2.631 20 0 DFADRP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+]C[C@@H](O)Cc1cccc(F)c1 ZINC000423142417 296384043 /nfs/dbraw/zinc/38/40/43/296384043.db2.gz AKIZMVHXDSUQGL-OLMNPRSZSA-N 2 0 308.441 2.630 20 0 DFADRP Cn1nc2c(c1CN[C@@H]1CC[NH2+][C@@H](c3ccccc3)C1)CCCC2 ZINC000423139055 296383574 /nfs/dbraw/zinc/38/35/74/296383574.db2.gz KCAGIDOMTURXOD-VQIMIIECSA-N 2 0 324.472 2.882 20 0 DFADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]CCOc1ccc(Cl)c(F)c1 ZINC000423147202 296384931 /nfs/dbraw/zinc/38/49/31/296384931.db2.gz CCYIRLFQYYWBEP-NHYWBVRUSA-N 2 0 300.805 2.965 20 0 DFADRP CCC(=O)CCC[NH+]1CCC(CC[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000347734771 285151272 /nfs/dbraw/zinc/15/12/72/285151272.db2.gz HFSZTFZEHSPCSH-IRXDYDNUSA-N 2 0 324.509 2.957 20 0 DFADRP CSc1ccc([C@@H](CN[C@H](C)[C@@H]2CCC[NH2+]2)[NH+](C)C)cc1 ZINC000423146755 296384562 /nfs/dbraw/zinc/38/45/62/296384562.db2.gz QHJQEUMJFNTATF-XOKHGSTOSA-N 2 0 307.507 2.741 20 0 DFADRP CC[C@H]([NH2+][C@@H]1CCO[C@@H](c2ccncc2)C1)[C@@H]1CCCC[NH2+]1 ZINC000423146580 296384568 /nfs/dbraw/zinc/38/45/68/296384568.db2.gz AXRPRCXASSIRQR-VSZNYVQBSA-N 2 0 303.450 2.812 20 0 DFADRP Cc1ccc(C2(C[NH2+][C@@H]3CCOC[C@H]3[C@H](C)[NH3+])CC2)c(C)c1 ZINC000423147662 296384993 /nfs/dbraw/zinc/38/49/93/296384993.db2.gz SNYLSGYUPDVWRF-XYJFISCASA-N 2 0 302.462 2.677 20 0 DFADRP CC[C@H]([NH2+][C@@H]1CCO[C@H](c2cccnc2)C1)[C@@H]1CCCC[NH2+]1 ZINC000423151990 296385537 /nfs/dbraw/zinc/38/55/37/296385537.db2.gz LDGSOJLLGOGAEI-OWSLCNJRSA-N 2 0 303.450 2.812 20 0 DFADRP COC[C@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccc(Cl)cc1 ZINC000423148632 296385016 /nfs/dbraw/zinc/38/50/16/296385016.db2.gz GGWUMQVNCKQPJI-JTUUTPGSSA-N 2 0 308.853 2.943 20 0 DFADRP C[C@H]1CC[NH2+]CC[C@H]1[NH2+]CCOc1ccc(Cl)c(F)c1 ZINC000423154370 296385813 /nfs/dbraw/zinc/38/58/13/296385813.db2.gz OVMDVXIETDSMLC-XHDPSFHLSA-N 2 0 300.805 2.836 20 0 DFADRP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]Cc1c(F)cccc1-n1cccn1 ZINC000423153841 296385901 /nfs/dbraw/zinc/38/59/01/296385901.db2.gz IEUPHYBHBMXHEE-XJKSGUPXSA-N 2 0 302.397 2.619 20 0 DFADRP COC[C@@H](CCC[NH3+])[NH2+][C@@H](c1ccco1)c1ccc(OC)cc1 ZINC000423168610 296387480 /nfs/dbraw/zinc/38/74/80/296387480.db2.gz UULCHFQCWQRTBQ-CRAIPNDOSA-N 2 0 318.417 2.721 20 0 DFADRP C[C@H]([NH3+])[C@H]1COCC[C@H]1[NH2+][C@@H]1C[C@H]1c1c(F)cccc1Cl ZINC000423172194 296387948 /nfs/dbraw/zinc/38/79/48/296387948.db2.gz RTBQNWNDIRUAED-BOVGIHKQSA-N 2 0 312.816 2.677 20 0 DFADRP CC[C@@H]([NH2+]CCCN1CC[NH2+]CC1)c1cccc(Cl)c1F ZINC000423179152 296388972 /nfs/dbraw/zinc/38/89/72/296388972.db2.gz HFLMVVOGYRVQMW-OAHLLOKOSA-N 2 0 313.848 2.815 20 0 DFADRP c1coc([C@@H]2C[C@H]2[NH2+][C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)c1 ZINC000423173833 296388315 /nfs/dbraw/zinc/38/83/15/296388315.db2.gz AGCYKOWODWLACA-NNFUDEMPSA-N 2 0 310.397 2.981 20 0 DFADRP C[C@H]([NH2+]CCCN1CC[NH2+]CC1)c1ccccc1C(F)(F)F ZINC000423176336 296388438 /nfs/dbraw/zinc/38/84/38/296388438.db2.gz GUZBNVZNJFRTOB-ZDUSSCGKSA-N 2 0 315.383 2.651 20 0 DFADRP C[C@@H]1C[C@H]([NH2+][C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)CS1 ZINC000423176899 296388475 /nfs/dbraw/zinc/38/84/75/296388475.db2.gz GNJVCPHICZZRQL-CXUGXGMPSA-N 2 0 304.459 2.726 20 0 DFADRP Clc1cccc2c1CCC[C@H]2[NH2+]CCCN1CC[NH2+]CC1 ZINC000423176748 296388500 /nfs/dbraw/zinc/38/85/00/296388500.db2.gz CYDLTLQZAPOBFK-QGZVFWFLSA-N 2 0 307.869 2.602 20 0 DFADRP CC[NH+](CC)C[C@@H]1CCN([C@@H](C(=O)OC(C)(C)C)C2CC2)C1 ZINC000602788386 399573276 /nfs/dbraw/zinc/57/32/76/399573276.db2.gz WJCLVGAPGIVUET-GOEBONIOSA-N 2 0 310.482 2.770 20 0 DFADRP C[C@@H]([NH2+]CCCN1CC[NH2+]CC1)c1cc2ccccc2s1 ZINC000423192553 296390443 /nfs/dbraw/zinc/39/04/43/296390443.db2.gz VWIVECVYTZBHMV-CQSZACIVSA-N 2 0 303.475 2.847 20 0 DFADRP C[C@@H](CCn1cccn1)[NH2+]CCC[N@H+](C)Cc1ccccc1 ZINC000157511145 197192875 /nfs/dbraw/zinc/19/28/75/197192875.db2.gz IPCXXAUHPOBUDJ-KRWDZBQOSA-N 2 0 300.450 2.773 20 0 DFADRP Clc1cccc([C@H]2CCC[C@@H]([NH2+]CCN3CC[NH2+]CC3)C2)c1 ZINC000423201737 296391854 /nfs/dbraw/zinc/39/18/54/296391854.db2.gz JGAMZPOQSVJHQM-FUHWJXTLSA-N 2 0 321.896 2.861 20 0 DFADRP Clc1cccc([C@@H]2CC[C@H]([NH2+]CCCN3CC[NH2+]CC3)C2)c1 ZINC000423195627 296391210 /nfs/dbraw/zinc/39/12/10/296391210.db2.gz ZSUXSTOWVYCCEP-AEFFLSMTSA-N 2 0 321.896 2.861 20 0 DFADRP COc1cc([C@@H](C)[NH2+]C[C@@H]2CCC[NH2+]C2)ccc1OC(F)F ZINC000423203502 296392177 /nfs/dbraw/zinc/39/21/77/296392177.db2.gz CKNGGUXLAAQGDM-VXGBXAGGSA-N 2 0 314.376 2.947 20 0 DFADRP COc1cc(C)c(C[C@H](C)[NH2+][C@@H](C)[C@@H]2CCC[NH2+]C2)cc1OC ZINC000423205192 296392228 /nfs/dbraw/zinc/39/22/28/296392228.db2.gz BCUDXUILJVBNGU-HRCADAONSA-N 2 0 320.477 2.921 20 0 DFADRP Cc1ccccc1[C@H]([NH2+]CCN1CC[NH2+]CC1)c1ccccc1 ZINC000423207705 296392481 /nfs/dbraw/zinc/39/24/81/296392481.db2.gz SBTRZKLUFHFWGB-HXUWFJFHSA-N 2 0 309.457 2.579 20 0 DFADRP C[C@@H]([NH2+]CCN1CC[NH2+]CC1)C(c1ccccc1)c1ccccc1 ZINC000423207734 296392626 /nfs/dbraw/zinc/39/26/26/296392626.db2.gz SFCYNKNCETUKSE-GOSISDBHSA-N 2 0 323.484 2.702 20 0 DFADRP COc1ccc([C@H](CCC(C)C)[NH2+]CCN2CC[NH2+]CC2)cc1 ZINC000423209806 296392744 /nfs/dbraw/zinc/39/27/44/296392744.db2.gz VTZXSQVDEIQUAK-IBGZPJMESA-N 2 0 319.493 2.667 20 0 DFADRP CC(C)[C@H]([NH2+]CCN1CC[NH2+]CC1)c1cc2ccccc2o1 ZINC000423210755 296392748 /nfs/dbraw/zinc/39/27/48/296392748.db2.gz XFYQSAFQZSDQET-SFHVURJKSA-N 2 0 301.434 2.625 20 0 DFADRP c1ccc2c(c1)sc1c2CCC[C@@H]1[NH2+]CCN1CC[NH2+]CC1 ZINC000423200449 296391979 /nfs/dbraw/zinc/39/19/79/296391979.db2.gz FPXCKRIMMZUBQD-INIZCTEOSA-N 2 0 315.486 2.774 20 0 DFADRP COC(=O)CCC[C@@H]1CCC[C@H]([NH2+][C@H](C)[C@H]2CCC[NH2+]C2)C1 ZINC000423221931 296394047 /nfs/dbraw/zinc/39/40/47/296394047.db2.gz YSMGAVQBFZHXDG-QZWWFDLISA-N 2 0 310.482 2.866 20 0 DFADRP C[C@@H]([NH2+][C@@H](C)c1cccc(N2CCOCC2)c1)[C@@H]1CCC[NH2+]C1 ZINC000423219915 296393767 /nfs/dbraw/zinc/39/37/67/296393767.db2.gz UWFJCTDQMBPIOD-LZLYRXPVSA-N 2 0 317.477 2.562 20 0 DFADRP C[C@@H](Cc1ccccc1)[NH+]1CCC(NC[C@@H]2CCC[NH2+]C2)CC1 ZINC000423218157 296393816 /nfs/dbraw/zinc/39/38/16/296393816.db2.gz VDRVFPICLOCKJL-PKOBYXMFSA-N 2 0 315.505 2.671 20 0 DFADRP C[C@@H]([NH3+])CC[NH2+][C@@H](C)Cc1ccc(F)cc1Br ZINC000423227146 296394760 /nfs/dbraw/zinc/39/47/60/296394760.db2.gz UPUBYHAZWUMZDK-ZJUUUORDSA-N 2 0 303.219 2.846 20 0 DFADRP C[C@H]([NH3+])CC[NH2+][C@@H]1CCCOc2cc(Br)ccc21 ZINC000423222185 296394069 /nfs/dbraw/zinc/39/40/69/296394069.db2.gz ADFNTAQCWLBHAE-GXFFZTMASA-N 2 0 313.239 2.990 20 0 DFADRP CC(C)[N@@H+]1CC[C@@H](CNC(=O)Nc2cccc(C[NH+](C)C)c2)C1 ZINC000620763819 399586791 /nfs/dbraw/zinc/58/67/91/399586791.db2.gz OJZYCJSZQRABFJ-INIZCTEOSA-N 2 0 318.465 2.600 20 0 DFADRP CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)[C@@H]2CCCC[NH+]2CC)C1 ZINC000347812919 285185817 /nfs/dbraw/zinc/18/58/17/285185817.db2.gz JWKSMXFFSIJFNP-SJORKVTESA-N 2 0 323.525 2.878 20 0 DFADRP CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)[C@@H]2CCCC[NH+]2CC)C1 ZINC000347812918 285186016 /nfs/dbraw/zinc/18/60/16/285186016.db2.gz JWKSMXFFSIJFNP-IRXDYDNUSA-N 2 0 323.525 2.878 20 0 DFADRP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1NC[C@H]([NH3+])c1ccccc1 ZINC000423236015 296395536 /nfs/dbraw/zinc/39/55/36/296395536.db2.gz HBXXSYCYJBIQFX-UXPWSPDFSA-N 2 0 324.472 2.582 20 0 DFADRP COC[C@H]([NH2+]CC[C@H]1CC[NH2+]C1)c1cccc(Cl)c1F ZINC000423250906 296396908 /nfs/dbraw/zinc/39/69/08/296396908.db2.gz REYFAZOANBILKF-RISCZKNCSA-N 2 0 300.805 2.756 20 0 DFADRP Cn1ccc([C@@H]([NH2+]CC[C@@H]2CC[NH2+]C2)c2ccc(Cl)cc2)n1 ZINC000423254041 296397022 /nfs/dbraw/zinc/39/70/22/296397022.db2.gz WVWLLBVAYAUDTC-GUYCJALGSA-N 2 0 318.852 2.752 20 0 DFADRP COc1cc([C@@H](C)[NH2+]CC[C@@H]2CC[NH2+]C2)ccc1OC(F)F ZINC000423252813 296397098 /nfs/dbraw/zinc/39/70/98/296397098.db2.gz UUUPXCXYYHKJOQ-NEPJUHHUSA-N 2 0 314.376 2.947 20 0 DFADRP CCOC(=O)[C@@H]1CC[C@@H]([NH2+]CC[C@@H]2CC[NH2+]C2)c2ccccc21 ZINC000423251395 296397116 /nfs/dbraw/zinc/39/71/16/296397116.db2.gz SAOJGTQRNULJJO-BMGDILEWSA-N 2 0 316.445 2.757 20 0 DFADRP CC(C)NC(=O)Nc1ccc([C@@H](C)[NH2+]CC[C@@H]2CC[NH2+]C2)cc1 ZINC000423252375 296397161 /nfs/dbraw/zinc/39/71/61/296397161.db2.gz UCLLOJKJXMQRAO-CABCVRRESA-N 2 0 318.465 2.867 20 0 DFADRP CCC[C@@H](C)[NH2+]Cc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000156914249 197150201 /nfs/dbraw/zinc/15/02/01/197150201.db2.gz ZRKBXYJUPBXIRR-QAPCUYQASA-N 2 0 317.477 2.662 20 0 DFADRP COCCOc1ccc([C@H](C)[NH2+][C@H]2CCCC[C@@H]2C[NH3+])cc1 ZINC000423263553 296398216 /nfs/dbraw/zinc/39/82/16/296398216.db2.gz BAHCYHQDEVTVCZ-LESCRADOSA-N 2 0 306.450 2.880 20 0 DFADRP C[C@@H]([NH2+]CC[C@@H]1CCC[NH2+]C1)c1cccc(N2CCOCC2)c1 ZINC000423256730 296397285 /nfs/dbraw/zinc/39/72/85/296397285.db2.gz FVSZEBPIPDWIHQ-SJORKVTESA-N 2 0 317.477 2.564 20 0 DFADRP C[NH2+]C[C@@H](C)C[NH2+][C@H]1CCc2sc(Br)cc21 ZINC000423256593 296397466 /nfs/dbraw/zinc/39/74/66/296397466.db2.gz CCQDKOFEEFZUFS-SCZZXKLOSA-N 2 0 303.269 2.943 20 0 DFADRP COc1ccc([C@H](C)[NH2+]CC[C@@H]2CCC[NH2+]C2)cc1NC(C)=O ZINC000423260318 296397646 /nfs/dbraw/zinc/39/76/46/296397646.db2.gz PYRFGWLSTXWYDF-ZFWWWQNUSA-N 2 0 319.449 2.694 20 0 DFADRP C[C@H]([NH2+]CC[C@H]1CCC[NH2+]C1)c1ccc2c(c1)OCCCO2 ZINC000423259102 296397686 /nfs/dbraw/zinc/39/76/86/296397686.db2.gz NLICFUGBOYLHNZ-LSDHHAIUSA-N 2 0 304.434 2.888 20 0 DFADRP C[C@@H]([NH2+]CC[C@H]1CCC[NH2+]C1)c1ccc2c(c1)OCCCO2 ZINC000423259101 296397731 /nfs/dbraw/zinc/39/77/31/296397731.db2.gz NLICFUGBOYLHNZ-HUUCEWRRSA-N 2 0 304.434 2.888 20 0 DFADRP COc1cc([C@@H](C)[NH2+]CC[C@H]2CCC[NH2+]C2)cc(OC)c1OC ZINC000423261364 296398057 /nfs/dbraw/zinc/39/80/57/296398057.db2.gz RYZDBUHUFKWWGP-ZIAGYGMSSA-N 2 0 322.449 2.753 20 0 DFADRP COC(=O)CCC[C@@H]1CCC[C@H]([NH2+][C@@H]2CCCC[C@@H]2C[NH3+])C1 ZINC000423271482 296399038 /nfs/dbraw/zinc/39/90/38/296399038.db2.gz HPGGZLIYVFCPHN-VVLHAWIVSA-N 2 0 310.482 2.996 20 0 DFADRP COc1cc(NC(C)=O)ccc1[C@H](C)[NH2+][C@@H]1CCCC[C@@H]1C[NH3+] ZINC000423266734 296398578 /nfs/dbraw/zinc/39/85/78/296398578.db2.gz CDKJKUPKLTYHBB-DXCKQFNASA-N 2 0 319.449 2.822 20 0 DFADRP C[C@H]([NH2+][C@@H]1CCCC[C@H]1C[NH3+])c1cccc(N2CCCC2=O)c1 ZINC000423274788 296399965 /nfs/dbraw/zinc/39/99/65/296399965.db2.gz MLQCFCUEIFACCC-QILLFSRXSA-N 2 0 315.461 2.982 20 0 DFADRP C[NH2+]C[C@H](C)C[NH2+][C@@H]1CCc2cccc(Br)c2C1 ZINC000423276418 296399976 /nfs/dbraw/zinc/39/99/76/296399976.db2.gz OKZAABKGCOFOGM-WCQYABFASA-N 2 0 311.267 2.752 20 0 DFADRP C[C@@H](C[NH3+])C[NH2+][C@@H](C)c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000423293503 296401611 /nfs/dbraw/zinc/40/16/11/296401611.db2.gz AALCNCVASDQYIK-KBPBESRZSA-N 2 0 324.490 2.648 20 0 DFADRP C[C@@H](C[NH3+])C[NH2+][C@H]1CCc2c1cc(Br)cc2F ZINC000423297097 296402131 /nfs/dbraw/zinc/40/21/31/296402131.db2.gz IRUGJELZYGUYPE-SDBXPKJASA-N 2 0 301.203 2.760 20 0 DFADRP C[C@H]([NH2+]CC1C[NH2+]C1)[C@H](C)Oc1ccc(Cl)cc1Cl ZINC000423300957 296402265 /nfs/dbraw/zinc/40/22/65/296402265.db2.gz GGGLVUMPMAPZRB-UWVGGRQHSA-N 2 0 303.233 2.958 20 0 DFADRP CCN(CC)C(=O)Nc1ccc([C@H](C)[NH2+]C[C@@H](C)C[NH3+])cc1 ZINC000423296108 296401903 /nfs/dbraw/zinc/40/19/03/296401903.db2.gz GDNRVFHEWSMVPI-KBPBESRZSA-N 2 0 306.454 2.806 20 0 DFADRP CCc1ccc([C@H](CNC(=O)[C@H](C(C)C)[C@@H](C)[NH3+])[NH+](C)C)cc1 ZINC000423310829 296402860 /nfs/dbraw/zinc/40/28/60/296402860.db2.gz SIIAXYGSFZUCHM-FHLIZLRMSA-N 2 0 319.493 2.587 20 0 DFADRP C[N@H+](Cc1ccccc1)C1CCC([NH2+]C[C@H]2C[C@@H](O)C2)CC1 ZINC000624216893 399600014 /nfs/dbraw/zinc/60/00/14/399600014.db2.gz UOSYZCDDHJPCNN-IZKRJXBMSA-N 2 0 302.462 2.790 20 0 DFADRP C[N@H+](CC1CC1)CC1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000156185784 197093741 /nfs/dbraw/zinc/09/37/41/197093741.db2.gz QXMPRCKKXNGTCD-LJQANCHMSA-N 2 0 302.462 2.774 20 0 DFADRP [NH3+]CCCC[NH2+][C@@H]1CCCOc2c(Br)cccc21 ZINC000423322892 296404125 /nfs/dbraw/zinc/40/41/25/296404125.db2.gz JDCGSNKDBYBAKD-CYBMUJFWSA-N 2 0 313.239 2.991 20 0 DFADRP COc1cc([C@@H](C)[NH2+]CC2(C)CC[NH2+]CC2)cc(OC)c1OC ZINC000423329563 296405191 /nfs/dbraw/zinc/40/51/91/296405191.db2.gz MVQYJBWCGULXAX-CYBMUJFWSA-N 2 0 322.449 2.753 20 0 DFADRP CC1(C)C[C@H]([NH2+]CC2C[NH2+]C2)c2cc(Br)ccc21 ZINC000423329600 296405287 /nfs/dbraw/zinc/40/52/87/296405287.db2.gz SZXYMRJIMFBDLG-AWEZNQCLSA-N 2 0 309.251 2.981 20 0 DFADRP CCO[C@@H]1C[C@@H]([NH2+]CC2(C)CC[NH2+]CC2)[C@H]1Oc1ccccc1 ZINC000423335254 296405494 /nfs/dbraw/zinc/40/54/94/296405494.db2.gz RJIPQLNFCSSYDG-KZNAEPCWSA-N 2 0 318.461 2.591 20 0 DFADRP O[C@H]1C[C@@H](C[NH2+][C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)C1 ZINC000624217626 399601715 /nfs/dbraw/zinc/60/17/15/399601715.db2.gz ASCNVVWGXRSWEU-UHZRXMQZSA-N 2 0 314.473 2.648 20 0 DFADRP COc1cc([C@@H](C)[NH2+]C[C@H]2CC[NH2+]C2)ccc1OC(F)F ZINC000423349859 296407456 /nfs/dbraw/zinc/40/74/56/296407456.db2.gz WKEMPNZFAVAVGB-MNOVXSKESA-N 2 0 300.349 2.557 20 0 DFADRP COc1ccc(C[C@@H](C)[NH2+]CC[C@H]2CCC[NH2+]2)c(C)c1OC ZINC000423358496 296408315 /nfs/dbraw/zinc/40/83/15/296408315.db2.gz NOYKVHUHYMOIBP-CZUORRHYSA-N 2 0 306.450 2.675 20 0 DFADRP CC[C@@H]([NH2+]Cc1cccc(C(=O)NCC[NH+](C)C)c1)C(C)(C)C ZINC000289087833 220685961 /nfs/dbraw/zinc/68/59/61/220685961.db2.gz BIFLHSJTXBIUPG-QGZVFWFLSA-N 2 0 319.493 2.892 20 0 DFADRP CO[C@H]1C[C@H](C[NH+]2CCCC2)N(c2cc[nH+]c(C)c2Cl)C1 ZINC000347895842 285230194 /nfs/dbraw/zinc/23/01/94/285230194.db2.gz GKNCPXKKSALVSL-KGLIPLIRSA-N 2 0 309.841 2.733 20 0 DFADRP C[C@@H](Cc1ccccc1)[NH+]1CCC(N[C@H]2CCC[NH2+][C@H]2C)CC1 ZINC000423373793 296409937 /nfs/dbraw/zinc/40/99/37/296409937.db2.gz JNTHNQVMZMYAOR-ZWOKBUDYSA-N 2 0 315.505 2.812 20 0 DFADRP CCCc1ccc([C@H](C)[NH2+][C@H](C)CN2CC[NH+](C)CC2)cc1 ZINC000154986596 197010374 /nfs/dbraw/zinc/01/03/74/197010374.db2.gz YJAITUBZLZNRDB-SJORKVTESA-N 2 0 303.494 2.926 20 0 DFADRP CCC[C@H](C)[C@@H](CC)[NH2+]C[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000423376474 296410387 /nfs/dbraw/zinc/41/03/87/296410387.db2.gz DRQIMHSSXXKPFB-MJBXVCDLSA-N 2 0 309.420 2.627 20 0 DFADRP CC1(c2ccccc2)CCC([NH2+]CCN2CC[C@@H](O)C2)CC1 ZINC000624229598 399605830 /nfs/dbraw/zinc/60/58/30/399605830.db2.gz ZHFYDRCTFTWZEI-JLAWEPINSA-N 2 0 302.462 2.543 20 0 DFADRP CCC[NH+](CCC)CCCC(=O)N(C)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000347905048 285234996 /nfs/dbraw/zinc/23/49/96/285234996.db2.gz YQZBHOSWGGOLCU-QGZVFWFLSA-N 2 0 309.498 2.584 20 0 DFADRP CCO[C@@H]1C[C@H]([NH2+]CC2(COC)CC[NH2+]CC2)C1(CC)CC ZINC000423396824 296411961 /nfs/dbraw/zinc/41/19/61/296411961.db2.gz BIUBVLVPTAPAAC-JKSUJKDBSA-N 2 0 312.498 2.576 20 0 DFADRP COCC1(C[NH2+][C@@H]2CCCNc3ccccc32)CC[NH2+]CC1 ZINC000423408493 296413396 /nfs/dbraw/zinc/41/33/96/296413396.db2.gz OQQHXFRVJSDQFX-QGZVFWFLSA-N 2 0 303.450 2.539 20 0 DFADRP COCC1(C[NH2+][C@@H](C)C(C)(C)c2ccccc2)CC[NH2+]CC1 ZINC000423406989 296413503 /nfs/dbraw/zinc/41/35/03/296413503.db2.gz LKVACYICWTUDEP-INIZCTEOSA-N 2 0 304.478 2.959 20 0 DFADRP Cc1ccsc1[C@@H](C)[NH2+]C[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000423400744 296412643 /nfs/dbraw/zinc/41/26/43/296412643.db2.gz XCQRYNASQZIVOT-VXGBXAGGSA-N 2 0 321.412 2.543 20 0 DFADRP COCC1(C[NH2+][C@@H]2c3cc(C)ccc3C[C@@H]2C)CC[NH2+]CC1 ZINC000423405950 296413027 /nfs/dbraw/zinc/41/30/27/296413027.db2.gz JXGDFRFBYWCVSP-YJBOKZPZSA-N 2 0 302.462 2.834 20 0 DFADRP CC[C@H]([NH2+]C[C@@H]1C[NH2+]C[C@H]1O)c1ccc(Cl)c(Cl)c1 ZINC000423409408 296413733 /nfs/dbraw/zinc/41/37/33/296413733.db2.gz PYMPAYNTMYUJDD-LEWSCRJBSA-N 2 0 303.233 2.614 20 0 DFADRP O[C@@H]1C[NH2+]C[C@@H]1C[NH2+][C@H]1CCC[C@@H](c2cccc(Cl)c2)C1 ZINC000423440753 296417084 /nfs/dbraw/zinc/41/70/84/296417084.db2.gz VZSKEQDZHWDKGM-TXCZRRACSA-N 2 0 308.853 2.536 20 0 DFADRP COc1ccc([C@H](C)[NH2+][C@@H]2C[C@H]2C2CC[NH2+]CC2)c(OC)c1 ZINC000423446171 296417170 /nfs/dbraw/zinc/41/71/70/296417170.db2.gz SPFSVIPPBIGJPO-AFAVFJNCSA-N 2 0 304.434 2.743 20 0 DFADRP CC[C@H](C)NC(=O)[C@@H](C)[NH2+]Cc1ccccc1C[NH+](CC)CC ZINC000073737125 542464238 /nfs/dbraw/zinc/46/42/38/542464238.db2.gz IMTPUWZJZBWPCP-JKSUJKDBSA-N 2 0 319.493 2.921 20 0 DFADRP C[C@@H]([NH2+]CCC[C@H]1CCC[NH2+]1)c1ccc(C(=O)N(C)C)cc1 ZINC000423472413 296419513 /nfs/dbraw/zinc/41/95/13/296419513.db2.gz FWHSMTNUZWRKCS-PBHICJAKSA-N 2 0 303.450 2.571 20 0 DFADRP C[C@H]([NH2+]CCC[C@H]1CCC[NH2+]1)c1ccc(OCC[NH+](C)C)cc1 ZINC000423476635 296420034 /nfs/dbraw/zinc/42/00/34/296420034.db2.gz JEBWSIYUHBBHDO-WMZOPIPTSA-N 3 0 319.493 2.810 20 0 DFADRP CC(C)NC(=O)Nc1ccc([C@H](C)[NH2+][C@H]2CC[C@H](C[NH3+])C2)cc1 ZINC000423498097 296422442 /nfs/dbraw/zinc/42/24/42/296422442.db2.gz ZXTNWSDEOKDFQL-ZQIUZPCESA-N 2 0 318.465 2.995 20 0 DFADRP Cc1cc(C)c([C@@H](C)[NH2+]CCCN2CC[NH+](C)CC2)cc1C ZINC000120415499 195162186 /nfs/dbraw/zinc/16/21/86/195162186.db2.gz RPGJNZKASWGMSM-GOSISDBHSA-N 2 0 303.494 2.900 20 0 DFADRP COc1ccc([C@H](C)[C@H](C)[NH2+][C@@H]2CC[C@@H](C[NH3+])C2)cc1OC ZINC000423510734 296424380 /nfs/dbraw/zinc/42/43/80/296424380.db2.gz PTPYQDRCMOEQHS-HLPPOEQASA-N 2 0 306.450 2.913 20 0 DFADRP COc1ccc([C@@H](C)[NH2+]CCC2=CC[NH2+]CC2)cc1NC(C)=O ZINC000423538951 296427788 /nfs/dbraw/zinc/42/77/88/296427788.db2.gz OEYKCDHBRFTGBT-CYBMUJFWSA-N 2 0 317.433 2.614 20 0 DFADRP COc1cc(F)c([C@H](C)[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)cc1OC ZINC000423536971 296427798 /nfs/dbraw/zinc/42/77/98/296427798.db2.gz BJZOSTTUSRZJMV-RFQIPJPRSA-N 2 0 322.424 2.882 20 0 DFADRP c1ccc(C[C@H]([NH2+]CCC2=CC[NH2+]CC2)c2cccnc2)nc1 ZINC000423537263 296427806 /nfs/dbraw/zinc/42/78/06/296427806.db2.gz JKGCYZKVADEEKK-IBGZPJMESA-N 2 0 308.429 2.660 20 0 DFADRP Cc1c([C@H](C)[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)cnn1C(C)(C)C ZINC000423541378 296428073 /nfs/dbraw/zinc/42/80/73/296428073.db2.gz KRWKTYKYUVFMTG-ARLBYUKCSA-N 2 0 304.482 2.985 20 0 DFADRP COCC[C@H](Cc1cccc(F)c1)[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000423540017 296428117 /nfs/dbraw/zinc/42/81/17/296428117.db2.gz JEYBTGZJMPOVRN-UKBAYJJMSA-N 2 0 320.452 2.751 20 0 DFADRP C[C@@H]1C[C@H](N[C@@H](C[NH+]2CCCC2)c2ccccc2)CC[N@@H+]1C ZINC000120800785 195240516 /nfs/dbraw/zinc/24/05/16/195240516.db2.gz UIOLLRAPUQZPBS-QRQLOZEOSA-N 2 0 301.478 2.896 20 0 DFADRP Cc1ccc([C@H](C)[NH2+]C[C@@H](C)CN2CC[NH+](C)CC2)cc1C ZINC000120895646 195259333 /nfs/dbraw/zinc/25/93/33/195259333.db2.gz SNORXYHJKKOFPS-QAPCUYQASA-N 2 0 303.494 2.838 20 0 DFADRP C[C@H]([NH2+]CC1CC[NH+](CCO)CC1)c1cc2ccccc2o1 ZINC000151878000 196740634 /nfs/dbraw/zinc/74/06/34/196740634.db2.gz ZEFXIIMXQBOZFV-AWEZNQCLSA-N 2 0 302.418 2.788 20 0 DFADRP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC[C@@H]1CCC[NH+]1C ZINC000624268869 399621854 /nfs/dbraw/zinc/62/18/54/399621854.db2.gz HUCGMDJAFBCCKP-YTQUADARSA-N 2 0 301.478 2.581 20 0 DFADRP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC[C@@H]1CCC[NH+]1C ZINC000624268868 399621928 /nfs/dbraw/zinc/62/19/28/399621928.db2.gz HUCGMDJAFBCCKP-WDSOQIARSA-N 2 0 301.478 2.581 20 0 DFADRP CN1CC[C@H]([NH2+]CC[C@H]2CCC[N@@H+]2C)[C@H]1c1ccc(F)c(F)c1 ZINC000289486874 221012736 /nfs/dbraw/zinc/01/27/36/221012736.db2.gz YOHSEAMOXSNWAF-FHLIZLRMSA-N 2 0 323.431 2.784 20 0 DFADRP C[C@@H](C[NH2+][C@H](c1ccc(F)cc1)C1CC1)N1CC[NH+](C)CC1 ZINC000271642417 209087808 /nfs/dbraw/zinc/08/78/08/209087808.db2.gz DXXSQMUSLKIWLC-KSSFIOAISA-N 2 0 305.441 2.502 20 0 DFADRP C[C@@H](C[N@H+](C)CCN(C)C1CC[NH+](C)CC1)c1ccc(F)cc1 ZINC000289560257 221068577 /nfs/dbraw/zinc/06/85/77/221068577.db2.gz YNSFCETWCOMCTK-INIZCTEOSA-N 2 0 321.484 2.887 20 0 DFADRP c1n[nH]cc1CC[NH2+][C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000289650004 221129004 /nfs/dbraw/zinc/12/90/04/221129004.db2.gz GEDHBVFKXTWFHJ-SLFFLAALSA-N 2 0 324.472 2.843 20 0 DFADRP C[C@H](Cc1ccccc1)C[N@H+](C)CCN(C)C1CC[NH+](C)CC1 ZINC000289725088 221182063 /nfs/dbraw/zinc/18/20/63/221182063.db2.gz HLVAASAYRUECHV-GOSISDBHSA-N 2 0 317.521 2.823 20 0 DFADRP OCC1([NH2+]Cc2ccc(OCC[NH+]3CCCC3)cc2)CCCC1 ZINC000083475444 542502595 /nfs/dbraw/zinc/50/25/95/542502595.db2.gz NZOCJAZNDMRRQT-UHFFFAOYSA-N 2 0 318.461 2.556 20 0 DFADRP CO[C@H]1C[C@@H](C[NH2+][C@@H](C)c2ccc(OCC[NH+](C)C)cc2)C1 ZINC000624309794 399634747 /nfs/dbraw/zinc/63/47/47/399634747.db2.gz XXLXKVCHNFUEKO-RLFYNMQTSA-N 2 0 306.450 2.703 20 0 DFADRP C[C@@H](c1nc2ccccc2s1)[C@H](C)[NH2+]CC1([NH3+])CCOCC1 ZINC000629522403 399634793 /nfs/dbraw/zinc/63/47/93/399634793.db2.gz ZGBUOZZRNQTFKY-OLZOCXBDSA-N 2 0 319.474 2.886 20 0 DFADRP C[NH+](C)Cc1ccc(NC(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)cc1 ZINC000289873045 221283981 /nfs/dbraw/zinc/28/39/81/221283981.db2.gz QXNZUOHSLOMVDH-SFHVURJKSA-N 2 0 321.440 2.899 20 0 DFADRP CC[N@@H+]1CC[C@@H]([NH2+]Cc2ccc(COCCOC)cc2)[C@@H](C)C1 ZINC000289876961 221287077 /nfs/dbraw/zinc/28/70/77/221287077.db2.gz WYWCZQVJIJAHHW-QFBILLFUSA-N 2 0 320.477 2.670 20 0 DFADRP C[C@H]1[NH2+]CCC[C@H]1C(=O)Nc1cccc(C[NH+]2CCCCC2)c1 ZINC000289941449 221332008 /nfs/dbraw/zinc/33/20/08/221332008.db2.gz OTVBLUCRFOOYAM-CRAIPNDOSA-N 2 0 315.461 2.999 20 0 DFADRP C[NH2+]CCOCC[NH2+][C@H](Cc1ccccc1F)c1ccccc1 ZINC000629530877 399637332 /nfs/dbraw/zinc/63/73/32/399637332.db2.gz UBFAPJPNUOHUQB-LJQANCHMSA-N 2 0 316.420 2.935 20 0 DFADRP CC[N@@H+]1CC[C@@H](C[NH2+][C@@H](C)c2ccc(Br)nc2)C1 ZINC000289951599 221337865 /nfs/dbraw/zinc/33/78/65/221337865.db2.gz WOMCLDNRKBNZGY-RYUDHWBXSA-N 2 0 312.255 2.837 20 0 DFADRP C[NH2+]CCOCC[NH2+][C@H]1CCCC[C@H]1c1ccc(OC)c(F)c1 ZINC000629529828 399638034 /nfs/dbraw/zinc/63/80/34/399638034.db2.gz NRFIIMXITPLZOM-RDJZCZTQSA-N 2 0 324.440 2.686 20 0 DFADRP C[C@H]([NH2+]CCOCCC[NH3+])c1ccc(OC(F)(F)F)cc1 ZINC000629534613 399638737 /nfs/dbraw/zinc/63/87/37/399638737.db2.gz AZDZKIWQBBTDRX-NSHDSACASA-N 2 0 306.328 2.601 20 0 DFADRP C[C@H]([NH2+]C[C@H]1CC[N@@H+](C2CC2)C1)c1ccc(Br)nc1 ZINC000289974207 221353600 /nfs/dbraw/zinc/35/36/00/221353600.db2.gz XNHLZRBUVQGASI-NWDGAFQWSA-N 2 0 324.266 2.979 20 0 DFADRP C[C@@H](Cc1cccc(C(F)(F)F)c1)[NH2+]CCOCCC[NH3+] ZINC000629540125 399639893 /nfs/dbraw/zinc/63/98/93/399639893.db2.gz UNABKOZCTMGACD-LBPRGKRZSA-N 2 0 304.356 2.591 20 0 DFADRP CC(C)c1ccc2c(c1)[C@@H]([NH2+]CCOCCC[NH3+])CCCO2 ZINC000629537629 399639987 /nfs/dbraw/zinc/63/99/87/399639987.db2.gz KIDRUBZKXNEKER-KRWDZBQOSA-N 2 0 306.450 2.979 20 0 DFADRP Cc1cc([C@@H]([NH2+]CCOCCC[NH3+])c2cccnc2)ccc1F ZINC000629537247 399640077 /nfs/dbraw/zinc/64/00/77/399640077.db2.gz JMHXZSZGRGCFIT-GOSISDBHSA-N 2 0 317.408 2.574 20 0 DFADRP CC(C)c1ccc(C[C@H](C)[NH2+]C[C@@H](O)C[NH+]2CCCC2)cc1 ZINC000629574920 399653438 /nfs/dbraw/zinc/65/34/38/399653438.db2.gz LSMWKZKTMNEEDR-QFBILLFUSA-N 2 0 304.478 2.787 20 0 DFADRP C[C@@H](c1ccc(OC(F)(F)F)cc1)[N@H+](C)CCOCC[NH3+] ZINC000629577935 399653679 /nfs/dbraw/zinc/65/36/79/399653679.db2.gz FWQAUWJWWDFMCD-NSHDSACASA-N 2 0 306.328 2.553 20 0 DFADRP O[C@@H](C[NH2+]CC1(Cc2ccccc2)CCCC1)C[NH+]1CCCC1 ZINC000629576156 399654189 /nfs/dbraw/zinc/65/41/89/399654189.db2.gz QLTMEXMCCXXPON-IBGZPJMESA-N 2 0 316.489 2.836 20 0 DFADRP O[C@@H]1CC[N@H+](CC[C@@H]2CCC[NH2+]C2)[C@@H]1c1ccc(Cl)cc1 ZINC000629581982 399655004 /nfs/dbraw/zinc/65/50/04/399655004.db2.gz LJGGGAGSZZZHSQ-IAOVAPTHSA-N 2 0 308.853 2.837 20 0 DFADRP FC1(F)CCCC[C@@H]1C[NH+]1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000629591210 399658113 /nfs/dbraw/zinc/65/81/13/399658113.db2.gz DFIWCXLOOGQMDD-HZPDHXFCSA-N 2 0 316.436 2.902 20 0 DFADRP C[C@H]([NH2+][C@@H]1CCN(c2ccc(Cl)cc2F)C1)[C@@H]1CC[NH2+]C1 ZINC000629544556 399642963 /nfs/dbraw/zinc/64/29/63/399642963.db2.gz JHBFZIHPDMLJPT-OUCADQQQSA-N 2 0 311.832 2.645 20 0 DFADRP [NH3+]CCC[N@@H+]1CC[C@H](Sc2ccc(Br)cc2)C1 ZINC000629549649 399645530 /nfs/dbraw/zinc/64/55/30/399645530.db2.gz KVMOECIIUYIXAU-ZDUSSCGKSA-N 2 0 315.280 2.964 20 0 DFADRP Cc1ccc(CN2CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C2)c(C)n1 ZINC000629564570 399650252 /nfs/dbraw/zinc/65/02/52/399650252.db2.gz SSDBOGFQZWGGCU-ZIAGYGMSSA-N 2 0 301.356 2.658 20 0 DFADRP CN(CC[N@@H+]1CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C1)c1ccccc1 ZINC000629561362 399650326 /nfs/dbraw/zinc/65/03/26/399650326.db2.gz HVZBFAQCEHDLIQ-UKRRQHHQSA-N 2 0 315.383 2.582 20 0 DFADRP Cc1nc(C)c(CN2CC[C@H](C(F)(F)F)[C@H](C[NH3+])C2)s1 ZINC000629564084 399650454 /nfs/dbraw/zinc/65/04/54/399650454.db2.gz RJSDGNVJQJZBQJ-MNOVXSKESA-N 2 0 307.385 2.719 20 0 DFADRP C[NH2+]CCOCCN(C)[C@H](C)c1ncc(-c2ccccc2)o1 ZINC000629569414 399651592 /nfs/dbraw/zinc/65/15/92/399651592.db2.gz CARCZOYPTNAXHR-CQSZACIVSA-N 2 0 303.406 2.570 20 0 DFADRP C[NH2+]CCOCCN(C)Cc1csc(-c2cccs2)n1 ZINC000629571456 399651981 /nfs/dbraw/zinc/65/19/81/399651981.db2.gz MHAYJGWBWKCGCR-UHFFFAOYSA-N 2 0 311.476 2.539 20 0 DFADRP C[C@@]1(C[NH+]2CCC(Cc3nc(C4CCC4)no3)CC2)CC[NH2+]C1 ZINC000629665814 399682948 /nfs/dbraw/zinc/68/29/48/399682948.db2.gz PQUGAIRTLWHHKS-GOSISDBHSA-N 2 0 318.465 2.591 20 0 DFADRP [NH3+]CCCOCC[NH2+]Cc1ccc(Br)c(Cl)c1 ZINC000629678858 399686841 /nfs/dbraw/zinc/68/68/41/399686841.db2.gz MAEFIOURUJHYBF-UHFFFAOYSA-N 2 0 321.646 2.558 20 0 DFADRP CC[NH+](CC)CCOc1ccc(-c2ncc(C[NH3+])s2)cc1 ZINC000629706060 399696226 /nfs/dbraw/zinc/69/62/26/399696226.db2.gz SKSZCSCLUPJSQK-UHFFFAOYSA-N 2 0 305.447 2.989 20 0 DFADRP C[NH+](C)Cc1ccc(-c2ccc(C[C@@H](C[NH3+])CO)cc2)cc1F ZINC000629709298 399697699 /nfs/dbraw/zinc/69/76/99/399697699.db2.gz SMMXRBSKBDHBNM-HNNXBMFYSA-N 2 0 316.420 2.664 20 0 DFADRP Cc1ccc(C[C@@H](C[NH3+])CO)cc1-c1ccc([C@@H](C)[NH3+])c(F)c1 ZINC000629737846 399708623 /nfs/dbraw/zinc/70/86/23/399708623.db2.gz NFQPGLCTBKCAKM-HIFRSBDPSA-N 2 0 316.420 2.931 20 0 DFADRP c1ccc(C[N@H+]2C[C@@H]3CC[C@H]([NH2+]C[C@H]4CCCO4)[C@H]3C2)cc1 ZINC000294977688 224354720 /nfs/dbraw/zinc/35/47/20/224354720.db2.gz GGWHNGPRXSXWRJ-RDGPPVDQSA-N 2 0 300.446 2.666 20 0 DFADRP C[C@H]([NH2+][C@@H]1C[C@@H](C)N(c2ccccc2)C1=O)C1CC[NH+](C)CC1 ZINC000090115645 542534682 /nfs/dbraw/zinc/53/46/82/542534682.db2.gz NXNNTTXMVRLIMR-RVKKMQEKSA-N 2 0 315.461 2.500 20 0 DFADRP C[C@@H]([NH2+]Cc1cccnc1OCC(F)F)C1CC[NH+](C)CC1 ZINC000090942507 542538538 /nfs/dbraw/zinc/53/85/38/542538538.db2.gz KLYJTQOTRIYDAB-GFCCVEGCSA-N 2 0 313.392 2.545 20 0 DFADRP CN(Cc1ccccc1)CC(C)(C)[NH2+]CCCc1cnn(C)c1 ZINC000091075162 542539967 /nfs/dbraw/zinc/53/99/67/542539967.db2.gz FMFPUZMGGARRRX-UHFFFAOYSA-N 2 0 314.477 2.853 20 0 DFADRP COC[C@H]([NH2+][C@@H](C)C1CC[NH+](C)CC1)c1ccc(F)c(F)c1 ZINC000091413747 542540858 /nfs/dbraw/zinc/54/08/58/542540858.db2.gz UDDREUAGWCCQHG-SJCJKPOMSA-N 2 0 312.404 2.972 20 0 DFADRP C[C@H]1SCC[N@H+](Cc2ccc(OCC[NH+](C)C)cc2)[C@@H]1C ZINC000093499756 542553091 /nfs/dbraw/zinc/55/30/91/542553091.db2.gz YBDSGEBEDZPTTD-HUUCEWRRSA-N 2 0 308.491 2.953 20 0 DFADRP C[C@@H]1SCC[N@H+](Cc2ccc(OCC[NH+](C)C)cc2)[C@H]1C ZINC000093499749 542554207 /nfs/dbraw/zinc/55/42/07/542554207.db2.gz YBDSGEBEDZPTTD-GJZGRUSLSA-N 2 0 308.491 2.953 20 0 DFADRP C[N@@H+](Cc1ccc(OCC[NH+]2CCCC2)cc1)C[C@@H]1CCOC1 ZINC000093840408 542554530 /nfs/dbraw/zinc/55/45/30/542554530.db2.gz SMMUCQJCQLZDJS-SFHVURJKSA-N 2 0 318.461 2.630 20 0 DFADRP C[NH+]1CCN(c2cccc(Cl)c2C[NH2+]CCC2CC2)CC1 ZINC000092409582 542547458 /nfs/dbraw/zinc/54/74/58/542547458.db2.gz XIRAUBBAQJELSI-UHFFFAOYSA-N 2 0 307.869 2.982 20 0 DFADRP C[NH+]1CCN(c2ccc(C[NH2+][C@@H]3CC[C@H]3C(C)(C)C)cn2)CC1 ZINC000348092011 285341414 /nfs/dbraw/zinc/34/14/14/285341414.db2.gz ZUZVHNAOJGVSLQ-IAGOWNOFSA-N 2 0 316.493 2.748 20 0 DFADRP C[C@@H]([NH2+]Cc1ccccc1Cn1cccn1)C1CC[NH+](C)CC1 ZINC000119296868 542572283 /nfs/dbraw/zinc/57/22/83/542572283.db2.gz DHGZXTZOIRSEEZ-MRXNPFEDSA-N 2 0 312.461 2.751 20 0 DFADRP Cc1ccc(NC(=O)C[NH+]2CCC([C@H]3CC[NH2+]C3)CC2)cc1C ZINC000357066742 224577023 /nfs/dbraw/zinc/57/70/23/224577023.db2.gz CIVOWECTQLOXNZ-KRWDZBQOSA-N 2 0 315.461 2.563 20 0 DFADRP Cc1ccc([C@H](C[NH2+][C@H](C)C2CC[NH+](C)CC2)N(C)C)cc1 ZINC000118996423 542569594 /nfs/dbraw/zinc/56/95/94/542569594.db2.gz PPPCHOLTPIKEPC-APWZRJJASA-N 2 0 303.494 2.918 20 0 DFADRP C[C@H](C[NH2+][C@H](C)c1cccc(Cl)c1)CN1CC[NH+](C)CC1 ZINC000120941256 195268645 /nfs/dbraw/zinc/26/86/45/195268645.db2.gz UXNAQNRCFSQYQQ-HUUCEWRRSA-N 2 0 309.885 2.874 20 0 DFADRP CCc1cc(NC(=O)CCC[NH+]2CCC([NH3+])CC2)ccc1C ZINC000423762445 296444518 /nfs/dbraw/zinc/44/45/18/296444518.db2.gz UFLIDCTVABFRFO-UHFFFAOYSA-N 2 0 303.450 2.699 20 0 DFADRP CC(C)CN(C(=O)C[C@@H](C)[C@@H]1CCC[NH2+]C1)C1CC[NH+](C)CC1 ZINC000423763909 296444955 /nfs/dbraw/zinc/44/49/55/296444955.db2.gz SCHFNRKHFQRMNC-IAGOWNOFSA-N 2 0 323.525 2.591 20 0 DFADRP C[NH+](C)C(C)(C)CNC1CC[NH+](CCc2ccccc2)CC1 ZINC000121717240 195333888 /nfs/dbraw/zinc/33/38/88/195333888.db2.gz LJUOUMAPTUGRRU-UHFFFAOYSA-N 2 0 303.494 2.623 20 0 DFADRP Cc1cc(C[NH+](C)C)cc(NC(=O)[C@H]([NH3+])Cc2ccccc2)c1 ZINC000423785463 296447448 /nfs/dbraw/zinc/44/74/48/296447448.db2.gz ODVJKUXRXIEKBI-GOSISDBHSA-N 2 0 311.429 2.565 20 0 DFADRP C[C@@H]1CCC[C@H](C[NH2+]Cc2cccnc2N2CC[NH+](C)CC2)C1 ZINC000124123667 195606143 /nfs/dbraw/zinc/60/61/43/195606143.db2.gz ZNEORTCJFCHUKI-SJORKVTESA-N 2 0 316.493 2.749 20 0 DFADRP C[C@]1(C(=O)N2CCC(CCC[NH+]3CCCC3)CC2)CCCC[NH2+]1 ZINC000423801725 296450432 /nfs/dbraw/zinc/45/04/32/296450432.db2.gz UFKBULXOHNKSII-LJQANCHMSA-N 2 0 321.509 2.633 20 0 DFADRP C[NH+]1CCC(CC[NH2+]C2CCN(c3ccccc3)CC2)CC1 ZINC000125390542 195743533 /nfs/dbraw/zinc/74/35/33/195743533.db2.gz SKZBOYFPHMUWMZ-UHFFFAOYSA-N 2 0 301.478 2.977 20 0 DFADRP C[C@H]([NH2+]CCC1CC[NH+](C)CC1)c1ccc([S@@](C)=O)cc1 ZINC000125403492 195745546 /nfs/dbraw/zinc/74/55/46/195745546.db2.gz NCNMSBJTUAOUNJ-QKKBWIMNSA-N 2 0 308.491 2.807 20 0 DFADRP CC[NH+](CC)CCO[C@H]1CC[N@H+](CCC(=O)c2ccccc2)C1 ZINC000348161881 285390398 /nfs/dbraw/zinc/39/03/98/285390398.db2.gz APGKBIWEIGGFPF-SFHVURJKSA-N 2 0 318.461 2.692 20 0 DFADRP CCCC[N@H+](C)CC1CC[NH+](CC(=O)N2CCCC[C@H]2C)CC1 ZINC000052209457 425884161 /nfs/dbraw/zinc/88/41/61/425884161.db2.gz SKWBNMHIQYQYKA-QGZVFWFLSA-N 2 0 323.525 2.831 20 0 DFADRP CC[N@H+](Cc1ccc(C[NH+](C)C)cc1)C[C@@](C)(O)C(F)(F)F ZINC000626063276 399742684 /nfs/dbraw/zinc/74/26/84/399742684.db2.gz YCGWRXSTHNRIDT-OAHLLOKOSA-N 2 0 318.383 2.883 20 0 DFADRP CO[C@@H](Cc1ccccc1)C[N@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000294903110 533374810 /nfs/dbraw/zinc/37/48/10/533374810.db2.gz ARICRFQYEFJKGP-SWDXFRIISA-N 2 0 302.462 2.801 20 0 DFADRP CCC[NH+]1CCC([NH2+]Cc2ccccc2Cn2cccn2)CC1 ZINC000120886194 542580727 /nfs/dbraw/zinc/58/07/27/542580727.db2.gz HICUZNMMAFTVMI-UHFFFAOYSA-N 2 0 312.461 2.895 20 0 DFADRP C[C@@H](CCO)CC[NH2+][C@H](C)c1ccc(OCC[NH+](C)C)cc1 ZINC000297461266 533623116 /nfs/dbraw/zinc/62/31/16/533623116.db2.gz XVYDDCRVEWRYIW-HZPDHXFCSA-N 2 0 308.466 2.686 20 0 DFADRP CCCc1ccc(C[NH2+]C[C@H](C)CN2CC[NH+](C)CC2)s1 ZINC000621333598 399757261 /nfs/dbraw/zinc/75/72/61/399757261.db2.gz JVTIVESXDNZESL-HNNXBMFYSA-N 2 0 309.523 2.674 20 0 DFADRP CN(C)CC[NH+]1CCC(C[NH2+][C@@H]2CCc3ccc(F)cc32)CC1 ZINC000124461549 542597494 /nfs/dbraw/zinc/59/74/94/542597494.db2.gz JNJRCGHPWSYUCW-LJQANCHMSA-N 2 0 319.468 2.676 20 0 DFADRP CCC[NH+]1CCC([NH2+]C[C@H](C)Oc2cccc(OC)c2)CC1 ZINC000125028552 542599826 /nfs/dbraw/zinc/59/98/26/542599826.db2.gz GFVGGDAMQAYUJA-HNNXBMFYSA-N 2 0 306.450 2.927 20 0 DFADRP CC(C)NC(=O)Nc1ccc(C[NH2+][C@H]2CC[N@H+](C)[C@@H](C)C2)cc1 ZINC000127972252 542615853 /nfs/dbraw/zinc/61/58/53/542615853.db2.gz ZUCRWEKERMWMKV-YOEHRIQHSA-N 2 0 318.465 2.789 20 0 DFADRP COc1ccc(O[C@@H](C)C[NH2+][C@H](C)C2CC[NH+](C)CC2)cc1 ZINC000129091140 542621928 /nfs/dbraw/zinc/62/19/28/542621928.db2.gz UTEVHSAHAPAIHJ-LSDHHAIUSA-N 2 0 306.450 2.782 20 0 DFADRP CC[NH+](CC)CCOCC[NH2+][C@H]1CSCCc2ccccc21 ZINC000348254123 285452213 /nfs/dbraw/zinc/45/22/13/285452213.db2.gz MNFCZMLDHCQTFA-SFHVURJKSA-N 2 0 322.518 2.965 20 0 DFADRP CC(C)[C@H](C[NH2+]C[C@@H]1C[C@H]1c1ccccc1)N1CC[NH+](C)CC1 ZINC000348256544 285453619 /nfs/dbraw/zinc/45/36/19/285453619.db2.gz HYSOAOJUDVPXJL-UFYCRDLUSA-N 2 0 315.505 2.652 20 0 DFADRP C[N@@H+]1CCCN(CCC[NH2+]Cc2cnc(C3CCC3)s2)CC1 ZINC000132887653 542643722 /nfs/dbraw/zinc/64/37/22/542643722.db2.gz CKODEMWGIKMWOH-UHFFFAOYSA-N 2 0 322.522 2.528 20 0 DFADRP C[C@@H]([NH2+]C[C@@H]1CCN(c2ccccc2)C1)C1CC[NH+](C)CC1 ZINC000152582873 542678014 /nfs/dbraw/zinc/67/80/14/542678014.db2.gz KNPXEOSDCYRJTE-SJORKVTESA-N 2 0 301.478 2.833 20 0 DFADRP COc1ccc(CCC[NH2+][C@@H](C)C2CC[NH+](C)CC2)cc1OC ZINC000155217871 542695007 /nfs/dbraw/zinc/69/50/07/542695007.db2.gz RMBLPDUHDAAOFW-HNNXBMFYSA-N 2 0 320.477 2.956 20 0 DFADRP C[C@H]([NH2+]CCCc1nc2ccccc2[nH]1)C1CC[NH+](C)CC1 ZINC000156229900 542700214 /nfs/dbraw/zinc/70/02/14/542700214.db2.gz FINPRJFWTMXCQV-AWEZNQCLSA-N 2 0 300.450 2.815 20 0 DFADRP C(C[N@@H+]1CCC[C@H](CN2CCOCC2)C1)OC1CCCCCC1 ZINC000158110897 542711165 /nfs/dbraw/zinc/71/11/65/542711165.db2.gz JNHOCSSERZLQLI-SFHVURJKSA-N 2 0 324.509 2.770 20 0 DFADRP CCC[NH+]1CCC([NH2+]CCCOc2ccc(OC)cc2)CC1 ZINC000161653933 542732864 /nfs/dbraw/zinc/73/28/64/542732864.db2.gz PQJLGOFYOVLIDD-UHFFFAOYSA-N 2 0 306.450 2.928 20 0 DFADRP Cc1ccc(Cl)cc1NC(=O)CN1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000163865795 132123963 /nfs/dbraw/zinc/12/39/63/132123963.db2.gz VBLUBJIOABEJBU-WCQYABFASA-N 2 0 309.841 2.504 20 0 DFADRP C[C@@H]([NH2+]Cc1ccnc(N2CCCCC2)c1)C1CC[NH+](C)CC1 ZINC000162483200 542737857 /nfs/dbraw/zinc/73/78/57/542737857.db2.gz DAPPPFWQFGWYML-MRXNPFEDSA-N 2 0 316.493 2.892 20 0 DFADRP c1sc(N2CCCC2)nc1CC[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000166637167 542751067 /nfs/dbraw/zinc/75/10/67/542751067.db2.gz HWWUUINHZCMLOK-GOEBONIOSA-N 2 0 320.506 2.502 20 0 DFADRP CC[NH+](CC)[C@H](CN[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccco1 ZINC000166380930 542751565 /nfs/dbraw/zinc/75/15/65/542751565.db2.gz MQDGEYLZLXUSOH-BRWVUGGUSA-N 2 0 305.466 2.879 20 0 DFADRP C[C@H]1CCCC[N@@H+]1CCCNC(=O)[C@H]([NH3+])c1cccc(Cl)c1 ZINC000163813363 542744467 /nfs/dbraw/zinc/74/44/67/542744467.db2.gz UBCPNODBSYBIHL-XJKSGUPXSA-N 2 0 323.868 2.721 20 0 DFADRP CCC[C@@H]([NH3+])C(=O)NCC1([NH2+][C@@H](C)c2ccccc2)CCCC1 ZINC000168662119 542754180 /nfs/dbraw/zinc/75/41/80/542754180.db2.gz ILQWOMWFCIDBRR-DOTOQJQBSA-N 2 0 317.477 2.894 20 0 DFADRP CCC[C@@H]([NH3+])C(=O)NCC1([NH2+][C@H](C)c2ccccc2)CCCC1 ZINC000168662314 542754422 /nfs/dbraw/zinc/75/44/22/542754422.db2.gz ILQWOMWFCIDBRR-NVXWUHKLSA-N 2 0 317.477 2.894 20 0 DFADRP COc1cccc(C[NH2+]CCCC[NH+]2C[C@@H](C)O[C@H](C)C2)c1F ZINC000192674791 542853745 /nfs/dbraw/zinc/85/37/45/542853745.db2.gz HYTRHRRCPQDOCQ-HUUCEWRRSA-N 2 0 324.440 2.813 20 0 DFADRP [NH3+][C@@H](CCC(=O)N1CCC[C@@H]([NH+]2CCCC2)C1)c1ccccc1 ZINC000237924032 542907888 /nfs/dbraw/zinc/90/78/88/542907888.db2.gz UXJCINQRQDRIKJ-MSOLQXFVSA-N 2 0 315.461 2.553 20 0 DFADRP Cc1ccc([C@H](CNC(=O)CC2([NH3+])CCC2)[NH+]2CCCC2)cc1 ZINC000237915927 542908034 /nfs/dbraw/zinc/90/80/34/542908034.db2.gz QTFWMCVXTHUTSM-KRWDZBQOSA-N 2 0 315.461 2.520 20 0 DFADRP CC1CC[NH+]([C@H](CNC(=O)CC(C)(C)[NH3+])c2ccccc2)CC1 ZINC000236726244 542897112 /nfs/dbraw/zinc/89/71/12/542897112.db2.gz MSPYGMDWCIAJTJ-QGZVFWFLSA-N 2 0 317.477 2.703 20 0 DFADRP Cc1ccc([C@@H](CNC(=O)C2([NH3+])CCCC2)[NH+]2CCCC2)cc1 ZINC000237876465 542907053 /nfs/dbraw/zinc/90/70/53/542907053.db2.gz IPEHYGSBBKLIRA-QGZVFWFLSA-N 2 0 315.461 2.520 20 0 DFADRP [NH3+][C@H](CCC(=O)N1CCC[C@H]([NH+]2CCCC2)C1)c1ccccc1 ZINC000237904327 542907207 /nfs/dbraw/zinc/90/72/07/542907207.db2.gz UXJCINQRQDRIKJ-ZWKOTPCHSA-N 2 0 315.461 2.553 20 0 DFADRP Cc1cc(C)cc(C[NH+]2CCC(n3ncc4c3C[NH2+]C4)CC2)c1 ZINC000424287454 296499028 /nfs/dbraw/zinc/49/90/28/296499028.db2.gz IUOZOHSDNLYHOY-UHFFFAOYSA-N 2 0 310.445 2.940 20 0 DFADRP CC[C@@H]1C[N@H+](CCC(=O)Nc2ccccc2Cl)CC[C@H]1[NH3+] ZINC000251889406 542946779 /nfs/dbraw/zinc/94/67/79/542946779.db2.gz VVZJIJSEHUDKRY-TZMCWYRMSA-N 2 0 309.841 2.728 20 0 DFADRP C[C@@H](CC(=O)NCCC[N@H+](C)C1CCCCC1)[C@H]1CCC[NH2+]C1 ZINC000261643458 542952786 /nfs/dbraw/zinc/95/27/86/542952786.db2.gz DMZNENQRTIXGLJ-IRXDYDNUSA-N 2 0 323.525 2.783 20 0 DFADRP COc1cc(OC)c(OC)cc1C[NH2+]CC1(C)CC[NH+](C)CC1 ZINC000272494622 542967832 /nfs/dbraw/zinc/96/78/32/542967832.db2.gz FXMNDTOQNCGAAG-UHFFFAOYSA-N 2 0 322.449 2.534 20 0 DFADRP COc1cc2c(cc1OC)[C@H]([NH2+]C[C@H]1CC[N@@H+](C3CC3)C1)CC2 ZINC000280003409 542986361 /nfs/dbraw/zinc/98/63/61/542986361.db2.gz GDVIAYOTLCBMKV-CXAGYDPISA-N 2 0 316.445 2.765 20 0 DFADRP CCC(CC)[C@@H](CNC(=O)Nc1cc(C)cc(C[NH3+])c1)[NH+](C)C ZINC000424436713 296509824 /nfs/dbraw/zinc/50/98/24/296509824.db2.gz MTAHRHRXRKWWMI-QGZVFWFLSA-N 2 0 320.481 2.942 20 0 DFADRP COC1CC([NH2+][C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)C1 ZINC000309888650 543067058 /nfs/dbraw/zinc/06/70/58/543067058.db2.gz CTKWEANBLXCBBF-TXQZXFLYSA-N 2 0 300.446 2.664 20 0 DFADRP COc1ccc(CC[NH2+][C@@H](C)C2CC[NH+](C)CC2)cc1OC ZINC000314233500 543068607 /nfs/dbraw/zinc/06/86/07/543068607.db2.gz OCTISBMTMBUQNL-AWEZNQCLSA-N 2 0 306.450 2.566 20 0 DFADRP COc1ccc([C@@H](C)[NH2+]CC(C)(C)N2CC[NH+](C)CC2)c(F)c1 ZINC000319646890 543079851 /nfs/dbraw/zinc/07/98/51/543079851.db2.gz CXQKQJTWIPYMHJ-CQSZACIVSA-N 2 0 323.456 2.511 20 0 DFADRP CCCCN(CCCC)C(=O)CN1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000320998678 543083683 /nfs/dbraw/zinc/08/36/83/543083683.db2.gz NHSKPONEBUILFQ-ZWKOTPCHSA-N 2 0 323.525 2.879 20 0 DFADRP C[NH+](C)Cc1cccc(NC(=O)c2cccc3c2CC[NH2+]C3)c1 ZINC000322284763 543088497 /nfs/dbraw/zinc/08/84/97/543088497.db2.gz OZYPTIUHIXOZHW-UHFFFAOYSA-N 2 0 309.413 2.646 20 0 DFADRP C[C@H](CCc1ccccc1)[NH+]1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000604388513 399844011 /nfs/dbraw/zinc/84/40/11/399844011.db2.gz HYEHFSULIOJPIM-QUCCMNQESA-N 2 0 315.505 2.720 20 0 DFADRP Cc1ccc(C(=O)NCC[NH2+][C@H](C)C[C@H]2CCCCC[NH2+]2)cc1 ZINC000261682058 292072327 /nfs/dbraw/zinc/07/23/27/292072327.db2.gz IHSNLTVSPKALRK-SJLPKXTDSA-N 2 0 317.477 2.625 20 0 DFADRP C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CN[C@@H]2CC[NH+]3CCC[C@H]3C2)C1 ZINC000339066081 543139059 /nfs/dbraw/zinc/13/90/59/543139059.db2.gz ATKHWVGTAWTYKW-XDNAFOTISA-N 2 0 307.526 2.959 20 0 DFADRP C(N[C@@H]1CC[N@@H+]2CCC[C@H]2C1)C1([NH+]2CCSCC2)CCCC1 ZINC000339076605 543140066 /nfs/dbraw/zinc/14/00/66/543140066.db2.gz VAOXKUCJLTZXDL-SJORKVTESA-N 2 0 323.550 2.564 20 0 DFADRP COc1ccc(O[C@H](C)C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000339068347 543140154 /nfs/dbraw/zinc/14/01/54/543140154.db2.gz FQCYKVDKIXJTBK-PMPSAXMXSA-N 2 0 304.434 2.679 20 0 DFADRP c1sc(N2CCCC2)nc1CC[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000339067198 543140354 /nfs/dbraw/zinc/14/03/54/543140354.db2.gz HWWUUINHZCMLOK-HOCLYGCPSA-N 2 0 320.506 2.502 20 0 DFADRP C[C@H]1CCCC[N@@H+]1CCC(=O)NC[C@@H](c1cccs1)[NH+](C)C ZINC000339234689 543141987 /nfs/dbraw/zinc/14/19/87/543141987.db2.gz UVHGBRURJWXRIV-GJZGRUSLSA-N 2 0 323.506 2.732 20 0 DFADRP C[C@H]1CCCC[N@@H+]1CCC(=O)NCCC[NH+]1CCCCCC1 ZINC000339238473 543142099 /nfs/dbraw/zinc/14/20/99/543142099.db2.gz NIHWRXOIFNVMIX-KRWDZBQOSA-N 2 0 309.498 2.633 20 0 DFADRP c1ccc(C[NH+]2CCN(CC[NH2+][C@H]3CC[C@@H]3C3CC3)CC2)cc1 ZINC000348091885 543182809 /nfs/dbraw/zinc/18/28/09/543182809.db2.gz YYIOZWMDHBVVOD-UXHICEINSA-N 2 0 313.489 2.582 20 0 DFADRP OC1CC[NH+](Cc2ccccc2C[NH2+][C@H]2CC[C@@H]2C2CC2)CC1 ZINC000348103438 543183317 /nfs/dbraw/zinc/18/33/17/543183317.db2.gz BUPZXPQDHVYTHO-UXHICEINSA-N 2 0 314.473 2.922 20 0 DFADRP COC1(C[N@@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@@H]32)CCCCC1 ZINC000361544069 292112417 /nfs/dbraw/zinc/11/24/17/292112417.db2.gz RQKUXVVVPOCWID-YESZJQIVSA-N 2 0 310.482 2.519 20 0 DFADRP COC1(C[N@@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@H]32)CCCCC1 ZINC000361544063 292112288 /nfs/dbraw/zinc/11/22/88/292112288.db2.gz RQKUXVVVPOCWID-BRWVUGGUSA-N 2 0 310.482 2.519 20 0 DFADRP C[C@@H]([NH2+]CC1(O)CC[NH+](C)CC1)C1CCC(C(F)(F)F)CC1 ZINC000354408102 543243403 /nfs/dbraw/zinc/24/34/03/543243403.db2.gz LHNIEBSMFPNMDZ-IYXRBSQSSA-N 2 0 322.415 2.790 20 0 DFADRP CC[NH+](CC)C[C@@H](C)NC1CC[NH+](CCC(F)(F)F)CC1 ZINC000356844063 543259212 /nfs/dbraw/zinc/25/92/12/543259212.db2.gz LZGJYGIGUIJXDK-CYBMUJFWSA-N 2 0 309.420 2.723 20 0 DFADRP Cc1ccc([C@@H]([NH2+]C[C@@H](C)N2CC[NH+](C)CC2)C2CCC2)o1 ZINC000349448011 285864110 /nfs/dbraw/zinc/86/41/10/285864110.db2.gz DFDGKGVUINTMLD-KDOFPFPSSA-N 2 0 305.466 2.655 20 0 DFADRP CC[NH+](CC)CCO[C@H]1CC[N@@H+]([C@@H]2C[C@@H]2c2ccccc2)C1 ZINC000411310109 543316832 /nfs/dbraw/zinc/31/68/32/543316832.db2.gz TUZLURCSAPJHPC-IPMKNSEASA-N 2 0 302.462 2.975 20 0 DFADRP CC(C)[C@H](O)CC[NH2+][C@@H](C)c1ccc(OCC[NH+](C)C)cc1 ZINC000165358587 145229159 /nfs/dbraw/zinc/22/91/59/145229159.db2.gz YONPGNAWZPVPAT-MAUKXSAKSA-N 2 0 308.466 2.685 20 0 DFADRP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]CCCCOCCc1ccccc1 ZINC000165244273 145229399 /nfs/dbraw/zinc/22/93/99/145229399.db2.gz BEIFIAOQHFEYFQ-MJGOQNOKSA-N 2 0 304.478 2.956 20 0 DFADRP C[C@H](CC(=O)NC[C@]1([NH+](C)C)CCC[C@@H](C)C1)C1CC[NH2+]CC1 ZINC000165821066 145232253 /nfs/dbraw/zinc/23/22/53/145232253.db2.gz AAWNLRYMWMXDGY-MDZRGWNJSA-N 2 0 323.525 2.639 20 0 DFADRP CC1CCC([NH+]2CCC(N(C)C(=O)[C@H]3CC[C@H]([NH3+])C3)CC2)CC1 ZINC000166555991 145235922 /nfs/dbraw/zinc/23/59/22/145235922.db2.gz FCDXZVAQRSPCRT-LPMVOBIJSA-N 2 0 321.509 2.615 20 0 DFADRP CCOc1cc(CN[C@H]2C[C@H](C)[N@H+](C)C[C@@H]2C)ccc1OC ZINC000168811778 145244230 /nfs/dbraw/zinc/24/42/30/145244230.db2.gz FGICBCFJOOMQPK-DZKIICNBSA-N 2 0 306.450 2.912 20 0 DFADRP C[C@H](C(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)[C@H]([NH3+])c1ccccc1 ZINC000168987032 145246494 /nfs/dbraw/zinc/24/64/94/145246494.db2.gz WUHITGGJTBJISI-XIRDDKMYSA-N 2 0 319.493 2.805 20 0 DFADRP C[NH2+]CCC[NH2+]Cc1ccc(Br)c2cccnc12 ZINC000414859999 543327765 /nfs/dbraw/zinc/32/77/65/543327765.db2.gz OAGWBUXIXQDIIN-UHFFFAOYSA-N 2 0 308.223 2.696 20 0 DFADRP COc1c(Br)cccc1C[NH2+][C@@H]1CCC[C@@H]([NH3+])C1 ZINC000414928144 543328018 /nfs/dbraw/zinc/32/80/18/543328018.db2.gz PWIXLYBGCLTWDA-VXGBXAGGSA-N 2 0 313.239 2.817 20 0 DFADRP COC(=O)c1ccc(CN2CCC[C@@H]([NH+]3CCCC3)CC2)o1 ZINC000172577661 145307847 /nfs/dbraw/zinc/30/78/47/145307847.db2.gz MOBXTCSPFXSFBN-CQSZACIVSA-N 2 0 306.406 2.517 20 0 DFADRP C[NH+](C)CC(C)(C)CNC(=O)C1CC[NH+]([C@H]2C=CCCC2)CC1 ZINC000172984249 145327302 /nfs/dbraw/zinc/32/73/02/145327302.db2.gz HUOWCMYQKGCYAC-KRWDZBQOSA-N 2 0 321.509 2.511 20 0 DFADRP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@H]1CCCc2c(Cl)cccc21 ZINC000349492921 285872984 /nfs/dbraw/zinc/87/29/84/285872984.db2.gz HDUGBIFLBKHFBB-KDOFPFPSSA-N 2 0 321.896 2.943 20 0 DFADRP C[C@@H](C(=O)NC1CC[NH+](C2CCCC2)CC1)[NH+]1[C@H](C)CC[C@H]1C ZINC000175004249 145396532 /nfs/dbraw/zinc/39/65/32/145396532.db2.gz UHRBKIQXRTXHQJ-OAGGEKHMSA-N 2 0 321.509 2.771 20 0 DFADRP C[C@H]([NH3+])c1ccc(-c2ccc3c(c2)CC[C@]([NH3+])(CO)C3)cc1F ZINC000630501242 399895553 /nfs/dbraw/zinc/89/55/53/399895553.db2.gz QEMGJZCUACVPQH-HXPMCKFVSA-N 2 0 314.404 2.691 20 0 DFADRP O=c1ccc(C[NH2+][C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)c[nH]1 ZINC000631112821 399982844 /nfs/dbraw/zinc/98/28/44/399982844.db2.gz XZWDQJSGBHFGNS-GBESFXJTSA-N 2 0 323.440 2.787 20 0 DFADRP Cc1cc(C)c(/C=C/C[NH2+]C[C@@H](C)N2CC[NH+](C)CC2)cc1C ZINC000631065380 399973044 /nfs/dbraw/zinc/97/30/44/399973044.db2.gz QWCKUYPDKAEXSQ-OVKVCFKUSA-N 2 0 315.505 2.851 20 0 DFADRP CCC(C)(C)[NH2+][C@@H](C)C(=O)NC[C@H]1CC[N@@H+]1C1CCCCC1 ZINC000628544330 400039306 /nfs/dbraw/zinc/03/93/06/400039306.db2.gz DLXBOLRBHRAUMO-GOEBONIOSA-N 2 0 309.498 2.676 20 0 DFADRP Cc1nn(C)cc1C[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000631196196 400001588 /nfs/dbraw/zinc/00/15/88/400001588.db2.gz OOBNATLSUINYJT-QAPCUYQASA-N 2 0 312.461 2.586 20 0 DFADRP C[NH+]1CCN(c2cccc(Cl)c2C[NH2+]C2CC=CC2)CC1 ZINC000628228907 400004128 /nfs/dbraw/zinc/00/41/28/400004128.db2.gz DNZUIMAGETUGMK-UHFFFAOYSA-N 2 0 305.853 2.900 20 0 DFADRP C[C@@]1(C[NH2+]CC2CC[NH+](C3CCOCC3)CC2)CCCS1 ZINC000628336866 400022258 /nfs/dbraw/zinc/02/22/58/400022258.db2.gz QZYMWYCCSBDAMK-KRWDZBQOSA-N 2 0 312.523 2.753 20 0 DFADRP C[C@@H]([NH2+]Cc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1)C1CC(F)(F)C1 ZINC000628337277 400022439 /nfs/dbraw/zinc/02/24/39/400022439.db2.gz ATDISPLRWPCRPV-CXAGYDPISA-N 2 0 324.415 2.777 20 0 DFADRP CC[N@H+](C)[C@H](C(=O)NC[C@@H]1CCCC[NH+](C)C1)c1ccccc1 ZINC000628757222 400053889 /nfs/dbraw/zinc/05/38/89/400053889.db2.gz ZZNVCVDGINIBJR-WMZOPIPTSA-N 2 0 317.477 2.528 20 0 DFADRP COc1cccc2c1OCCC[C@H]2[NH2+]C[C@H]1CCC[N@H+](C)C1 ZINC000631578811 400054052 /nfs/dbraw/zinc/05/40/52/400054052.db2.gz ATUDOZYCWCSRIC-GDBMZVCRSA-N 2 0 304.434 2.840 20 0 DFADRP COc1cccc2c1OCCC[C@H]2[NH2+]C[C@@H]1CCC[N@H+](C)C1 ZINC000631578814 400054174 /nfs/dbraw/zinc/05/41/74/400054174.db2.gz ATUDOZYCWCSRIC-GOEBONIOSA-N 2 0 304.434 2.840 20 0 DFADRP COc1ccc2c(c1)CC[C@H]2[NH2+]CC1(O)CC[NH+](C(C)C)CC1 ZINC000631589907 400055523 /nfs/dbraw/zinc/05/55/23/400055523.db2.gz KGUJGNLWPBHILS-GOSISDBHSA-N 2 0 318.461 2.507 20 0 DFADRP C[C@@H]([NH2+][C@H]1C[C@@H](C)O[C@@H]1C)c1ccc(OCC[NH+](C)C)cc1 ZINC000631698843 400068197 /nfs/dbraw/zinc/06/81/97/400068197.db2.gz BOMYWLKALCBCPT-ADAWSYLGSA-N 2 0 306.450 2.844 20 0 DFADRP c1cc(C[N@@H+]2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)c2c(c1)COCC2 ZINC000631822753 400077742 /nfs/dbraw/zinc/07/77/42/400077742.db2.gz NDCRQMIYYGSIQC-VQIMIIECSA-N 2 0 300.446 2.723 20 0 DFADRP COc1cccc(-c2nc(C[N@@H+]3CCC[C@H](CC[NH3+])C3)co2)c1 ZINC000631825598 400078052 /nfs/dbraw/zinc/07/80/52/400078052.db2.gz NIJSKDAUODSFJI-CQSZACIVSA-N 2 0 315.417 2.911 20 0 DFADRP [NH3+][C@@H]1CCCO[C@@H]1C1CC[NH+](C[C@@H]2CCC(F)(F)C2)CC1 ZINC000631828443 400078081 /nfs/dbraw/zinc/07/80/81/400078081.db2.gz PEBHSONBYMSTCC-BPLDGKMQSA-N 2 0 302.409 2.640 20 0 DFADRP C[C@@H]1C[N@H+](Cc2cccc(OCc3ccccn3)c2)C[C@H]1C[NH3+] ZINC000631837001 400078671 /nfs/dbraw/zinc/07/86/71/400078671.db2.gz LJJUBDRVXBBWDO-NVXWUHKLSA-N 2 0 311.429 2.687 20 0 DFADRP O[C@H](C[NH+]1CCC(OCC[NH+]2CCCC2)CC1)C1CCCCC1 ZINC000190619541 145859960 /nfs/dbraw/zinc/85/99/60/145859960.db2.gz RAIZAMINDQGXFH-LJQANCHMSA-N 2 0 324.509 2.504 20 0 DFADRP COC[C@H](CCC[NH3+])[NH2+][C@H](C)c1ccc(Br)cc1 ZINC000234695851 146018117 /nfs/dbraw/zinc/01/81/17/146018117.db2.gz JBZVUQGWHXZTLY-RISCZKNCSA-N 2 0 315.255 2.854 20 0 DFADRP CCCC[N@H+](C)CC1CCN(C(=O)C(CC)(CC)C[NH3+])CC1 ZINC000236708117 146024506 /nfs/dbraw/zinc/02/45/06/146024506.db2.gz VBRBIUZEGSZKQW-UHFFFAOYSA-N 2 0 311.514 2.722 20 0 DFADRP CC(C)C[C@H]([NH3+])C(=O)NCc1ccccc1C[NH+]1CCCCC1 ZINC000236704003 146024685 /nfs/dbraw/zinc/02/46/85/146024685.db2.gz YVUOIPAYTMWFPV-SFHVURJKSA-N 2 0 317.477 2.662 20 0 DFADRP C[C@@]1(C(=O)N2CCC[C@H](C[NH+]3CCCCCC3)C2)CCCC[NH2+]1 ZINC000237550344 146046512 /nfs/dbraw/zinc/04/65/12/146046512.db2.gz DBBYWGGAODXDAH-MJGOQNOKSA-N 2 0 321.509 2.633 20 0 DFADRP C[C@H](C(=O)NCc1cccc(C[NH+](C)C)c1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000245201348 146063148 /nfs/dbraw/zinc/06/31/48/146063148.db2.gz HOSVSTHAZHXAHR-OWCLPIDISA-N 2 0 317.477 2.626 20 0 DFADRP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CC[NH+](C[C@@H]2CC=CCC2)CC1 ZINC000245566411 146084466 /nfs/dbraw/zinc/08/44/66/146084466.db2.gz SOBHSGHIFPYWDN-CEXWTWQISA-N 2 0 305.510 2.833 20 0 DFADRP Cc1ccc2c(c1)[C@H]([NH2+]C[C@@H](O)C[NH+]1CCCCC1)[C@@H](C)C2 ZINC000246037342 146116358 /nfs/dbraw/zinc/11/63/58/146116358.db2.gz WQWNLADBUPLRFU-KVSKMBFKSA-N 2 0 302.462 2.665 20 0 DFADRP C[C@@H]1CN(Cc2ccccn2)CC[C@H]1[NH2+]CCc1nccs1 ZINC000246893782 146157461 /nfs/dbraw/zinc/15/74/61/146157461.db2.gz DYWAWOFGFZSIBL-GDBMZVCRSA-N 2 0 316.474 2.581 20 0 DFADRP CC[C@H](COC)[NH2+]Cc1ccc(C[NH+]2C[C@H](C)O[C@@H](C)C2)cc1 ZINC000247014869 146158623 /nfs/dbraw/zinc/15/86/23/146158623.db2.gz LLCQEDOUWBBZPP-TXPKVOOTSA-N 2 0 320.477 2.810 20 0 DFADRP COc1cccc(O[C@H](C)C[NH2+][C@@H]2C[C@H](C)[N@H+](C)C[C@@H]2C)c1 ZINC000247137849 146163125 /nfs/dbraw/zinc/16/31/25/146163125.db2.gz QSQMYZLTHZCUTA-OIPACUDHSA-N 2 0 306.450 2.781 20 0 DFADRP C[C@H]1C[C@@H](NC2C[C@H]3CC[C@@H](C2)[NH+]3C)C[N@@H+]1Cc1ccccc1 ZINC000249031024 146182780 /nfs/dbraw/zinc/18/27/80/146182780.db2.gz RCRABHYFWIYBCA-MFPFXBIISA-N 2 0 313.489 2.864 20 0 DFADRP C[C@@H](C(=O)NCCC[N@@H+]1CCCC[C@H]1C)[NH+]1[C@H](C)CC[C@H]1C ZINC000249749650 146205366 /nfs/dbraw/zinc/20/53/66/146205366.db2.gz QBPHECZQDSFGSZ-VQHPVUNQSA-N 2 0 309.498 2.628 20 0 DFADRP CC1CC[NH+](CCN2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)CC1 ZINC000252692339 146222075 /nfs/dbraw/zinc/22/20/75/146222075.db2.gz BFLLMVVMAHLTGP-HKUYNNGSSA-N 2 0 305.510 2.667 20 0 DFADRP CC[N@@H+]1CC[C@H](NC[C@@H](C)[NH+](C)Cc2ccccc2)[C@@H](C)C1 ZINC000252695977 146222647 /nfs/dbraw/zinc/22/26/47/146222647.db2.gz AZXZTMMQXRTYOE-SCTDSRPQSA-N 2 0 303.494 2.827 20 0 DFADRP FC(F)(F)Oc1cccc(CN2CC[C@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000261600626 146243435 /nfs/dbraw/zinc/24/34/35/146243435.db2.gz BPGCRKSCAYEQCA-QWHCGFSZSA-N 2 0 300.324 2.627 20 0 DFADRP FC(F)(F)c1c[nH]c([C@H]2CCC[N@H+](C[C@@H]3CCC[NH2+]C3)C2)n1 ZINC000261638416 146251480 /nfs/dbraw/zinc/25/14/80/146251480.db2.gz AAJXCUDCGFLBAH-NEPJUHHUSA-N 2 0 316.371 2.608 20 0 DFADRP C[C@]1(C[NH3+])CC[N@H+](CCc2nc(-c3cccc(Cl)c3)no2)C1 ZINC000261643795 146252576 /nfs/dbraw/zinc/25/25/76/146252576.db2.gz GOFRNHBGWKGCGN-MRXNPFEDSA-N 2 0 320.824 2.603 20 0 DFADRP Cc1ccc(C[N@@H+]2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)c(-c2ccnn2C)c1 ZINC000261656341 146255520 /nfs/dbraw/zinc/25/55/20/146255520.db2.gz BITWOPBOXHSSNH-JQHSSLGASA-N 2 0 310.445 2.565 20 0 DFADRP c1ccc(-c2ccc(C[NH+]3CCN([C@@H]4CC[NH2+]C4)CC3)cc2)cc1 ZINC000261665697 146256403 /nfs/dbraw/zinc/25/64/03/146256403.db2.gz LCYGTQBWPHIAOA-OAQYLSRUSA-N 2 0 321.468 2.833 20 0 DFADRP CC[N@H+](Cc1ccc(-c2nc(C[C@@H](C)[NH2+]C)no2)cc1)C1CC1 ZINC000261701880 146262131 /nfs/dbraw/zinc/26/21/31/146262131.db2.gz IENKJALTSZHXTM-CYBMUJFWSA-N 2 0 314.433 2.871 20 0 DFADRP C[C@@H]1C[C@H](N(C)C[C@@]2(C)CC[NH2+]C2)CC[N@@H+]1Cc1ccccc1 ZINC000261714583 146263555 /nfs/dbraw/zinc/26/35/55/146263555.db2.gz FARWGQQMIYJBGI-RLLQIKCJSA-N 3 0 315.505 2.971 20 0 DFADRP C[C@H](C(=O)N(CC[NH+](C)C)C1CCCC1)[C@H]([NH3+])c1ccccc1 ZINC000261754777 146270675 /nfs/dbraw/zinc/27/06/75/146270675.db2.gz PJQZZAPSAGGRLG-YJBOKZPZSA-N 2 0 317.477 2.655 20 0 DFADRP C[NH2+]CC1CC[NH+](Cc2ccc(-c3cnn(C)c3)s2)CC1 ZINC000261819185 146283527 /nfs/dbraw/zinc/28/35/27/146283527.db2.gz IFELVKXJIHXSPN-UHFFFAOYSA-N 2 0 304.463 2.580 20 0 DFADRP Fc1ccc2c(c1)CCN2C1CC[NH+](C[C@H]2CCC[NH2+]C2)CC1 ZINC000261844364 146287589 /nfs/dbraw/zinc/28/75/89/146287589.db2.gz SGRIMRRVKQVDOJ-HNNXBMFYSA-N 2 0 317.452 2.652 20 0 DFADRP Cc1ccc2nc(CN3C[C@@H](c4ccccc4)[C@H]([NH3+])C3)cn2c1 ZINC000261858707 146290239 /nfs/dbraw/zinc/29/02/39/146290239.db2.gz WFKBZYSWHJUBGB-ZWKOTPCHSA-N 2 0 306.413 2.569 20 0 DFADRP CC(C)c1cccc(NC(=O)CN2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)c1 ZINC000261863937 146290423 /nfs/dbraw/zinc/29/04/23/146290423.db2.gz KOLNAQVSFYVDOO-RYQLBKOJSA-N 2 0 315.461 2.808 20 0 DFADRP CCC(CC)(C[NH3+])C(=O)N[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000261907582 146299093 /nfs/dbraw/zinc/29/90/93/146299093.db2.gz HEWGKWQTURGZSW-RDJZCZTQSA-N 2 0 317.477 2.703 20 0 DFADRP c1nn(Cc2ccccc2)cc1C[N@@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000261918712 146301900 /nfs/dbraw/zinc/30/19/00/146301900.db2.gz BJSFSLBDKMYXCE-UHFFFAOYSA-N 2 0 310.445 2.507 20 0 DFADRP CCN(C)c1ccc(CN(CC[NH3+])CCc2ccccc2)cn1 ZINC000261940865 146305920 /nfs/dbraw/zinc/30/59/20/146305920.db2.gz DRMGGLXFFFBEKX-UHFFFAOYSA-N 2 0 312.461 2.541 20 0 DFADRP C[NH2+]CCC1CC[NH+]([C@H](C)C(=O)N[C@@H]2CCC[C@H](C)[C@@H]2C)CC1 ZINC000261979103 146313062 /nfs/dbraw/zinc/31/30/62/146313062.db2.gz HELZRRMLPJVLTR-LISAXSMJSA-N 2 0 323.525 2.637 20 0 DFADRP Cc1ccc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)c(-c2ccnn2C)c1 ZINC000261981116 146315169 /nfs/dbraw/zinc/31/51/69/146315169.db2.gz RIUCLQVAXSDWOA-IPELMVKDSA-N 2 0 324.472 2.955 20 0 DFADRP Cc1ccc(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)c(-c2ccnn2C)c1 ZINC000261981123 146315878 /nfs/dbraw/zinc/31/58/78/146315878.db2.gz RIUCLQVAXSDWOA-ZYSHUDEJSA-N 2 0 324.472 2.955 20 0 DFADRP c1sc(-c2ccccn2)nc1C[N@@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000261989285 146317420 /nfs/dbraw/zinc/31/74/20/146317420.db2.gz KCANOPIJQCFODG-UHFFFAOYSA-N 2 0 314.458 2.781 20 0 DFADRP CCc1ccc(NC(=O)[C@@H](C)[NH+]2CCC(CC[NH2+]C)CC2)cc1 ZINC000262015910 146322473 /nfs/dbraw/zinc/32/24/73/146322473.db2.gz VYSMMGJTDUZCPU-OAHLLOKOSA-N 2 0 317.477 2.898 20 0 DFADRP COc1cc(C[NH+]2CCC([C@H](C)[NH3+])CC2)ccc1OC(F)F ZINC000262033136 146324457 /nfs/dbraw/zinc/32/44/57/146324457.db2.gz ZASGNTRXGSMBGV-NSHDSACASA-N 2 0 314.376 2.856 20 0 DFADRP Cc1ccc(C[N@H+]2CCC[C@@H]([C@H](C)[NH3+])C2)c(-c2cnn(C)c2)c1 ZINC000262052678 146326982 /nfs/dbraw/zinc/32/69/82/146326982.db2.gz ZTXLJFSFASGOTE-JKSUJKDBSA-N 2 0 312.461 2.955 20 0 DFADRP CCN(CC)c1ncc(C[N@@H+]2CCC3(C2)CC[NH2+]CC3)s1 ZINC000262070120 146329433 /nfs/dbraw/zinc/32/94/33/146329433.db2.gz SAKSHRYWXDBOCF-UHFFFAOYSA-N 2 0 308.495 2.565 20 0 DFADRP [NH3+]CC[C@H]1CCC[N@H+](Cc2ccn(-c3ccc(F)cc3F)n2)C1 ZINC000262092426 146331904 /nfs/dbraw/zinc/33/19/04/146331904.db2.gz HIDJPXMTUDWYOH-CYBMUJFWSA-N 2 0 320.387 2.711 20 0 DFADRP CCOc1ccc(OCC[N@@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)cc1 ZINC000262111135 146334300 /nfs/dbraw/zinc/33/43/00/146334300.db2.gz JUOYKGRNPJGUPN-BMGDILEWSA-N 2 0 304.434 2.523 20 0 DFADRP COc1ccc(C[N@@H+]2CC[C@@H](C)[C@@H](C[NH3+])C2)cc1OC(F)F ZINC000262420304 146357547 /nfs/dbraw/zinc/35/75/47/146357547.db2.gz DYVAVFSOMFMWJD-YPMHNXCESA-N 2 0 314.376 2.713 20 0 DFADRP C[C@@H](C(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1)C1C[NH2+]C1 ZINC000262411564 146357731 /nfs/dbraw/zinc/35/77/31/146357731.db2.gz QQNOLUQTZHOQMK-OAHLLOKOSA-N 2 0 315.461 2.509 20 0 DFADRP CCC[C@](C)([NH3+])C(=O)NC[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000262703048 146382609 /nfs/dbraw/zinc/38/26/09/146382609.db2.gz KAMRAWQFXWLZSZ-PBHICJAKSA-N 2 0 323.506 2.594 20 0 DFADRP C[NH+](C)[C@H](CNC(=O)[C@H]1CCCC[C@]1(C)[NH3+])C1CCCCC1 ZINC000263065406 146413213 /nfs/dbraw/zinc/41/32/13/146413213.db2.gz VWBGHRFBRYSDNM-NUJGCVRESA-N 2 0 309.498 2.521 20 0 DFADRP CCOC(=O)C1(C)CCC([NH2+]C[C@H]2CCC[N@H+](CC)C2)CC1 ZINC000354147214 146923357 /nfs/dbraw/zinc/92/33/57/146923357.db2.gz SEQFOETURZKORK-KLHKWILBSA-N 2 0 310.482 2.820 20 0 DFADRP CC[C@H]1C[C@H](C[N@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3CCOC)CCO1 ZINC000354509574 147062465 /nfs/dbraw/zinc/06/24/65/147062465.db2.gz YCWAAGYZGDZUKX-BBCBXFPWSA-N 2 0 324.509 2.765 20 0 DFADRP CCC[C@@H](C)[N@H+](C)CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000354828424 147166996 /nfs/dbraw/zinc/16/69/96/147166996.db2.gz BIPPOCJIOLWEGV-WBVHZDCISA-N 2 0 305.466 2.526 20 0 DFADRP C[C@@H]1CCCCC[N@@H+]1CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000354846896 147174330 /nfs/dbraw/zinc/17/43/30/147174330.db2.gz DOTZSINIVZNSEG-AEFFLSMTSA-N 2 0 317.477 2.670 20 0 DFADRP CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CCCC[NH+]1CC ZINC000354873980 147186324 /nfs/dbraw/zinc/18/63/24/147186324.db2.gz FTNKUACHBNMNBX-IAGOWNOFSA-N 2 0 309.498 2.632 20 0 DFADRP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)[C@H](C)[NH+]1[C@H](C)CC[C@@H]1C ZINC000354928572 147198780 /nfs/dbraw/zinc/19/87/80/147198780.db2.gz GLBXEKYLVWGJED-VVLHAWIVSA-N 2 0 309.498 2.628 20 0 DFADRP COc1ccc(C[N@@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@@H]32)cc1C ZINC000355217465 147226995 /nfs/dbraw/zinc/22/69/95/147226995.db2.gz HFOFWSAQVBRIME-JENIJYKNSA-N 2 0 318.461 2.687 20 0 DFADRP COc1ccc(C[N@@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@H]32)cc1C ZINC000355217468 147227701 /nfs/dbraw/zinc/22/77/01/147227701.db2.gz HFOFWSAQVBRIME-ZHALLVOQSA-N 2 0 318.461 2.687 20 0 DFADRP CC[NH+](CC)C[C@H](C)NC(=O)[C@@H](c1ccccc1)[NH+](CC)CC ZINC000355594283 147377639 /nfs/dbraw/zinc/37/76/39/147377639.db2.gz KPEDUMAMNKRFMO-FUHWJXTLSA-N 2 0 319.493 2.916 20 0 DFADRP COc1c[nH+]ccc1N1CC[NH+](Cc2cccc3[nH]ccc32)CC1 ZINC000355652720 147398174 /nfs/dbraw/zinc/39/81/74/147398174.db2.gz PWYUYYGSJZMRPF-UHFFFAOYSA-N 2 0 322.412 2.894 20 0 DFADRP CCC(C)(C)[NH2+][C@@H](C)C(=O)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000356611586 147753904 /nfs/dbraw/zinc/75/39/04/147753904.db2.gz AGWQNJMYRZYSEC-JKSUJKDBSA-N 2 0 309.498 2.630 20 0 DFADRP CCC(C)(C)[NH2+][C@H](C)C(=O)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000356611585 147753999 /nfs/dbraw/zinc/75/39/99/147753999.db2.gz AGWQNJMYRZYSEC-HZPDHXFCSA-N 2 0 309.498 2.630 20 0 DFADRP c1ccc([C@H]2C[C@H]2C[NH+]2CCC(C[NH+]3CCOCC3)CC2)cc1 ZINC000350149129 286011313 /nfs/dbraw/zinc/01/13/13/286011313.db2.gz UQBVLPCZHJHTJM-VQTJNVASSA-N 2 0 314.473 2.834 20 0 DFADRP C[C@H](C(=O)NCC1([NH+](C)C)CCCCC1)[NH+]1CCCCCC1 ZINC000357720938 148096215 /nfs/dbraw/zinc/09/62/15/148096215.db2.gz HVYTYMIQOZIXFA-MRXNPFEDSA-N 2 0 309.498 2.632 20 0 DFADRP C[C@@H](C(=O)NCCC[NH+]1C[C@H](C)C[C@@H](C)C1)[NH+]1CCCCCC1 ZINC000357807252 148130553 /nfs/dbraw/zinc/13/05/53/148130553.db2.gz BVGYQPUGFDANGG-KURKYZTESA-N 2 0 323.525 2.735 20 0 DFADRP CC[NH+](CC)CC1CC[NH+](Cc2ccc(C(=O)NC)cc2)CC1 ZINC000350184685 286017154 /nfs/dbraw/zinc/01/71/54/286017154.db2.gz PUJGKRPFBUMNQF-UHFFFAOYSA-N 2 0 317.477 2.600 20 0 DFADRP CC[C@H]([NH2+]CC1CCN(c2cc[nH+]cc2)CC1)[C@H]1CCOC1 ZINC000357850366 148149270 /nfs/dbraw/zinc/14/92/70/148149270.db2.gz LMZZHPBVCZOQFP-WMZOPIPTSA-N 2 0 303.450 2.703 20 0 DFADRP CCC[C@H](C(=O)N[C@@H](C)[C@@H](c1ccccc1C)[NH+](C)C)[NH+](C)C ZINC000357853613 148150465 /nfs/dbraw/zinc/15/04/65/148150465.db2.gz CBYABDOPSWIPTI-JQHSSLGASA-N 2 0 319.493 2.833 20 0 DFADRP CC[NH+](CC)CCO[C@H]1CC[N@H+](CCOc2ccc(F)cc2)C1 ZINC000350200925 286018598 /nfs/dbraw/zinc/01/85/98/286018598.db2.gz CVTHLWYGFZSSSZ-SFHVURJKSA-N 2 0 324.440 2.637 20 0 DFADRP C[NH+](C)CC1CC[NH+](Cc2cnc(-c3ccncc3)s2)CC1 ZINC000350222424 286019829 /nfs/dbraw/zinc/01/98/29/286019829.db2.gz PVGVPEFFUUKDOL-UHFFFAOYSA-N 2 0 316.474 2.979 20 0 DFADRP CCOc1cncc(C[NH2+]Cc2ccc(F)c(C[NH+](C)C)c2)c1 ZINC000621336252 543482876 /nfs/dbraw/zinc/48/28/76/543482876.db2.gz QJLVEQOIJNIFAJ-UHFFFAOYSA-N 2 0 317.408 2.971 20 0 DFADRP CCN1C[C@@H](C)[C@@H]([NH2+]Cc2cccc(C[N@H+](C)C(C)C)c2)C1 ZINC000358055719 148228441 /nfs/dbraw/zinc/22/84/41/148228441.db2.gz CGTQMTSNNZLQNX-APWZRJJASA-N 2 0 303.494 2.957 20 0 DFADRP CCN1C[C@H](C)[C@H]([NH2+]Cc2cccc(C[N@H+](C)C(C)C)c2)C1 ZINC000358055725 148228655 /nfs/dbraw/zinc/22/86/55/148228655.db2.gz CGTQMTSNNZLQNX-QFBILLFUSA-N 2 0 303.494 2.957 20 0 DFADRP CCO[C@H](CC[NH2+]Cc1cc(C2CC[NH2+]CC2)no1)C(C)C ZINC000425903867 296603867 /nfs/dbraw/zinc/60/38/67/296603867.db2.gz WYFPKRXGXNZSHR-QGZVFWFLSA-N 2 0 309.454 2.682 20 0 DFADRP CC1=CC[N@H+](CCNC(=O)Nc2cccc(C[NH+](C)C)c2)CC1 ZINC000358135956 148255593 /nfs/dbraw/zinc/25/55/93/148255593.db2.gz KWQNDSQQXROXQB-UHFFFAOYSA-N 2 0 316.449 2.522 20 0 DFADRP C[C@H]1C[N@H+](C)CC[C@H]1[NH2+]CCCOc1cccc2cccnc21 ZINC000358140368 148258395 /nfs/dbraw/zinc/25/83/95/148258395.db2.gz MWBVWRVUDYHBHM-DOTOQJQBSA-N 2 0 313.445 2.934 20 0 DFADRP COc1cccc(OCCC[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000358145619 148260251 /nfs/dbraw/zinc/26/02/51/148260251.db2.gz AGINILBBJFPZSS-HOTGVXAUSA-N 2 0 304.434 2.681 20 0 DFADRP Cc1n[nH]c(C)c1C[N@H+](C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000350267920 286022999 /nfs/dbraw/zinc/02/29/99/286022999.db2.gz PDSQYIATNBXXCU-UHFFFAOYSA-N 2 0 313.449 2.770 20 0 DFADRP CC(C)(C)[NH+]1CCC([NH2+]CCc2cnc(C3CC3)nc2)CC1 ZINC000358222398 148291334 /nfs/dbraw/zinc/29/13/34/148291334.db2.gz INSWMSUZYXAJQX-UHFFFAOYSA-N 2 0 302.466 2.749 20 0 DFADRP CC[N@@H+]1CC[C@H]([NH2+]CC[C@@H]2COc3ccccc3O2)[C@@H](C)C1 ZINC000358280753 148316798 /nfs/dbraw/zinc/31/67/98/148316798.db2.gz BUFYIPAVSOGKAQ-XHSDSOJGSA-N 2 0 304.434 2.536 20 0 DFADRP Cc1n[nH]cc1C[N@@H+]1CCCC[C@H]1[C@@H](C[NH3+])Cc1ccccc1 ZINC000350556397 286057953 /nfs/dbraw/zinc/05/79/53/286057953.db2.gz LXKNRFXLHOEYIU-MJGOQNOKSA-N 2 0 312.461 2.890 20 0 DFADRP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)Nc1ccc(CC[NH+](C)C)cc1 ZINC000360109840 148817873 /nfs/dbraw/zinc/81/78/73/148817873.db2.gz JLYFNIXFEDOXMG-HUUCEWRRSA-N 2 0 303.450 2.602 20 0 DFADRP Fc1ccccc1N1CC[C@H](C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)C1 ZINC000361009705 149007561 /nfs/dbraw/zinc/00/75/61/149007561.db2.gz MHEQKKFHDQGOLT-BRWVUGGUSA-N 2 0 317.452 2.868 20 0 DFADRP C[C@H]([NH2+][C@H]1CCN(C2CC2)C1)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000361068891 149021971 /nfs/dbraw/zinc/02/19/71/149021971.db2.gz MZWZIAKESQNPGO-JSGCOSHPSA-N 2 0 313.445 2.804 20 0 DFADRP C[C@@H]([NH2+][C@@H]1CCN(C2CC2)C1)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000361068893 149022496 /nfs/dbraw/zinc/02/24/96/149022496.db2.gz MZWZIAKESQNPGO-TZMCWYRMSA-N 2 0 313.445 2.804 20 0 DFADRP C[C@H]1C[N@H+](CCCc2ccsc2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000361096648 149027463 /nfs/dbraw/zinc/02/74/63/149027463.db2.gz MHNKWSDSZBXPBZ-WMZOPIPTSA-N 2 0 321.534 2.639 20 0 DFADRP C[C@H](CCn1cccn1)[NH2+]C[C@@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000361104734 149029198 /nfs/dbraw/zinc/02/91/98/149029198.db2.gz LAYVPGSXYKAWMA-NZSAHSFTSA-N 2 0 312.461 2.944 20 0 DFADRP CC[C@@H](CC(F)(F)F)[NH2+]C1CCN(CCCC(=O)OC)CC1 ZINC000361147808 149038871 /nfs/dbraw/zinc/03/88/71/149038871.db2.gz WNNFYDXGDILCOR-LBPRGKRZSA-N 2 0 324.387 2.725 20 0 DFADRP C[C@H]([NH2+]CC1CC[NH+](C)CC1)c1cccc(N2CCOCC2)c1 ZINC000361174885 149046500 /nfs/dbraw/zinc/04/65/00/149046500.db2.gz IGDRLEXPDYUWDY-INIZCTEOSA-N 2 0 317.477 2.516 20 0 DFADRP COc1cccc(N2CCC([NH2+][C@@H](C)CC[NH+](C)C)CC2)c1 ZINC000361247316 149064211 /nfs/dbraw/zinc/06/42/11/149064211.db2.gz YFXSMGQZJSPPQD-HNNXBMFYSA-N 2 0 305.466 2.594 20 0 DFADRP CCC[NH+](CCC)CCCC(=O)N1CCC[C@@H]1[C@H]1CCC[N@@H+]1C ZINC000361272587 149072689 /nfs/dbraw/zinc/07/26/89/149072689.db2.gz QCWPJXOHIDXZDZ-QZTJIDSGSA-N 2 0 323.525 2.974 20 0 DFADRP CO[C@@H](C[N@@H+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1)C1CCC1 ZINC000660449281 543527819 /nfs/dbraw/zinc/52/78/19/543527819.db2.gz UBXWCTLDZFCWKY-ZCNNSNEGSA-N 2 0 314.473 2.865 20 0 DFADRP C[C@H](N[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)c1ncnn1C ZINC000361456616 149118983 /nfs/dbraw/zinc/11/89/83/149118983.db2.gz LWUSGJAWWUOMBV-HLLBOEOZSA-N 2 0 313.449 2.519 20 0 DFADRP C[C@H](N[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1)c1ncnn1C ZINC000361456619 149119806 /nfs/dbraw/zinc/11/98/06/149119806.db2.gz LWUSGJAWWUOMBV-ZOBUZTSGSA-N 2 0 313.449 2.519 20 0 DFADRP CC[NH+](CC)CCOC1CC[NH+](CC2(OC)CCCC2)CC1 ZINC000361576598 149155019 /nfs/dbraw/zinc/15/50/19/149155019.db2.gz HRRYGURUQZHZIK-UHFFFAOYSA-N 2 0 312.498 2.768 20 0 DFADRP CC[C@H]([NH2+]CC1(O)CC[NH+](C)CC1)c1ccc(Cl)s1 ZINC000361889454 149248272 /nfs/dbraw/zinc/24/82/72/149248272.db2.gz PZKPFHVLTLVLQX-NSHDSACASA-N 2 0 302.871 2.899 20 0 DFADRP COCCC[NH+]1CCC([NH2+][C@@H]2CCC[C@H]([C@H]3CCOC3)C2)CC1 ZINC000361893358 149248846 /nfs/dbraw/zinc/24/88/46/149248846.db2.gz JCOPVSKQWHBRBX-JENIJYKNSA-N 2 0 324.509 2.672 20 0 DFADRP COCCC[NH+]1CCC([NH2+][C@@H]2CCC[C@@H]([C@H]3CCOC3)C2)CC1 ZINC000361893361 149249003 /nfs/dbraw/zinc/24/90/03/149249003.db2.gz JCOPVSKQWHBRBX-ZIFCJYIRSA-N 2 0 324.509 2.672 20 0 DFADRP CC[N@@H+]1C[C@H](C)[C@H](N[C@@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C)C1 ZINC000361965640 149266694 /nfs/dbraw/zinc/26/66/94/149266694.db2.gz IAPJOIFUBGIBMV-RAUXBKROSA-N 2 0 315.505 2.827 20 0 DFADRP Cc1ccc([C@@H]([NH2+]C[C@H](C)N2CC[NH+](C)CC2)C2CC2)cc1 ZINC000091333353 292205164 /nfs/dbraw/zinc/20/51/64/292205164.db2.gz GQHJXBLWHRNDIC-QFBILLFUSA-N 2 0 301.478 2.672 20 0 DFADRP CCC[C@H]([NH2+]C(C)C)C(=O)NC[C@@H](c1ccsc1)[NH+](C)C ZINC000351261636 286118845 /nfs/dbraw/zinc/11/88/45/286118845.db2.gz XIQRPQMWNMJESY-GJZGRUSLSA-N 2 0 311.495 2.634 20 0 DFADRP Cc1cc(C)n(-c2ccc(C[N@@H+]3C[C@@H]4CC[C@H]([NH3+])[C@H]4C3)cc2)n1 ZINC000351479512 286130578 /nfs/dbraw/zinc/13/05/78/286130578.db2.gz RIZIOUGDKFODCM-WDSOQIARSA-N 2 0 310.445 2.658 20 0 DFADRP C[C@H](c1ccccc1)[N@@H+]1CCC[C@H](CN2CC[NH+](C)CC2)C1 ZINC000371265709 150012056 /nfs/dbraw/zinc/01/20/56/150012056.db2.gz DJSIHCPWDBPTPW-QZTJIDSGSA-N 2 0 301.478 2.707 20 0 DFADRP C[N@H+](C[C@H]1CC12CC[NH+](CC[C@@H]1CCC[NH+]1C)CC2)C1CC1 ZINC000371322053 150022970 /nfs/dbraw/zinc/02/29/70/150022970.db2.gz VOKNMIMVMTUVSE-SJORKVTESA-N 2 0 305.510 2.667 20 0 DFADRP O[C@@]1(Cc2cccc(Cl)c2)CC[N@H+](CCC[NH+]2CCCC2)C1 ZINC000371334011 150025902 /nfs/dbraw/zinc/02/59/02/150025902.db2.gz CVSFOHUJYCPXOJ-GOSISDBHSA-N 2 0 322.880 2.805 20 0 DFADRP c1[nH]c(-c2ccccc2)nc1CN1C[C@@H]2C[N@@H+]3CCCC[C@H]3[C@@H]2C1 ZINC000371402794 150040532 /nfs/dbraw/zinc/04/05/32/150040532.db2.gz BQMWAMKGOBUAKB-QRQLOZEOSA-N 2 0 322.456 2.993 20 0 DFADRP C[C@H](c1cccc(F)c1)[N@H+](C)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000371425896 150044957 /nfs/dbraw/zinc/04/49/57/150044957.db2.gz VHWDRUTVIQPGJK-BEFAXECRSA-N 2 0 319.468 2.987 20 0 DFADRP CCN1CCC[C@@H]([NH2+][C@@H]2CCC(=O)Nc3ccc(F)cc32)C1 ZINC000371687876 150081326 /nfs/dbraw/zinc/08/13/26/150081326.db2.gz BBELZJYYIUMONR-UKRRQHHQSA-N 2 0 305.397 2.673 20 0 DFADRP C[N@@H+]1CC[C@@H](CNC(=O)CCCCCC[NH3+])[C@H]1c1cccs1 ZINC000372098241 150137086 /nfs/dbraw/zinc/13/70/86/150137086.db2.gz HXPZTXPAAJOXBR-YOEHRIQHSA-N 2 0 323.506 2.766 20 0 DFADRP C[C@@H]([NH2+]Cc1ccc(-n2ccnc2)nc1)c1cccc(CO)c1 ZINC000372258144 150155167 /nfs/dbraw/zinc/15/51/67/150155167.db2.gz KJDFGJMWTJTVKY-CQSZACIVSA-N 2 0 308.385 2.610 20 0 DFADRP C[N@H+](Cc1cccc(Cl)c1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000372368872 150167616 /nfs/dbraw/zinc/16/76/16/150167616.db2.gz LDTBBVYIEGWXTL-GOSISDBHSA-N 2 0 321.896 2.940 20 0 DFADRP CC(C)[NH+]1CCC([NH2+]C2CC(O)(Cc3cccc(F)c3)C2)CC1 ZINC000372420646 150170289 /nfs/dbraw/zinc/17/02/89/150170289.db2.gz IGHQJOCZYUFQJT-UHFFFAOYSA-N 2 0 320.452 2.724 20 0 DFADRP Cc1cccc(C[C@H](CO)[NH2+]C2CC[NH+](C3CCCC3)CC2)c1 ZINC000372762353 150182089 /nfs/dbraw/zinc/18/20/89/150182089.db2.gz FWYGLCWXXOEQTA-LJQANCHMSA-N 2 0 316.489 2.895 20 0 DFADRP CCCC[C@@H](CC)C[NH+]1CCC(N2CCC[C@H]2C(N)=O)CC1 ZINC000372976055 150209847 /nfs/dbraw/zinc/20/98/47/150209847.db2.gz NWAXWLVFCGIGNX-WBVHZDCISA-N 2 0 309.498 2.617 20 0 DFADRP COc1ccc(C[N@@H+]2CC[C@H](CNc3cc(C)cc[nH+]3)C2)nc1 ZINC000373224306 150251166 /nfs/dbraw/zinc/25/11/66/150251166.db2.gz SAALTLQIIWGVLD-OAHLLOKOSA-N 2 0 312.417 2.728 20 0 DFADRP CO[C@@H]1CC[C@@H]([NH2+]Cc2nc3c(s2)CN(C(C)C)CC3)C1 ZINC000373762955 150254102 /nfs/dbraw/zinc/25/41/02/150254102.db2.gz KXIBSCNGSLKKQK-CHWSQXEVSA-N 2 0 309.479 2.567 20 0 DFADRP C[NH+](C)CCOc1ccccc1C[NH2+][C@@H]1CCC12CCOCC2 ZINC000374294138 150338430 /nfs/dbraw/zinc/33/84/30/150338430.db2.gz JMFCUAAFWFWSGZ-GOSISDBHSA-N 2 0 318.461 2.676 20 0 DFADRP Cc1ccc(C)c(C[N@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@@H]32)c1 ZINC000374431187 150365800 /nfs/dbraw/zinc/36/58/00/150365800.db2.gz WKVUNZDEUYDTTR-CEXWTWQISA-N 2 0 302.462 2.987 20 0 DFADRP C[C@@H](CCN1CC[NH+](C)CC1)[NH2+]C1CC(c2ccccc2F)C1 ZINC000375074322 150398120 /nfs/dbraw/zinc/39/81/20/150398120.db2.gz MNXXFRJTALYTGR-GTPINHCMSA-N 2 0 319.468 2.687 20 0 DFADRP c1csc(N2CCC([NH2+]C3CC([NH+]4CCCCC4)C3)CC2)n1 ZINC000376031419 150519065 /nfs/dbraw/zinc/51/90/65/150519065.db2.gz VXJJQXWXGGKIFR-UHFFFAOYSA-N 2 0 320.506 2.718 20 0 DFADRP CCOC(=O)C1(C[NH2+]C2CC[NH+]([C@H]3CCC[C@@H](C)C3)CC2)CC1 ZINC000351914770 286243298 /nfs/dbraw/zinc/24/32/98/286243298.db2.gz DRENRJIZLAOZMJ-WBVHZDCISA-N 2 0 322.493 2.962 20 0 DFADRP CCOC(=O)C1(C[NH2+]C2CC[NH+](C3CCCCC3)CC2)CC1 ZINC000351916150 286243459 /nfs/dbraw/zinc/24/34/59/286243459.db2.gz XATGHHMSLVYSMM-UHFFFAOYSA-N 2 0 308.466 2.716 20 0 DFADRP CC(C)[C@@H](CNC(=O)C[C@@H]1CCC[NH2+]CC1)[NH+]1CCC(C)CC1 ZINC000427328983 296653869 /nfs/dbraw/zinc/65/38/69/296653869.db2.gz JDYQJGLQHYLRQT-QZTJIDSGSA-N 2 0 323.525 2.639 20 0 DFADRP CCC[C@H]([NH2+]C(C)C)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000352130392 286299673 /nfs/dbraw/zinc/29/96/73/286299673.db2.gz YYQSVNJKZZIMMI-MSOLQXFVSA-N 2 0 317.477 2.544 20 0 DFADRP CCOC(=O)C(C)(C)C1CC[NH+](CC[C@H]2CCC[N@@H+]2C)CC1 ZINC000352187764 286314969 /nfs/dbraw/zinc/31/49/69/286314969.db2.gz UOYNQDDLLJREET-MRXNPFEDSA-N 2 0 310.482 2.772 20 0 DFADRP CCOC(=O)C(C)(C)C1CC[NH+](CC[C@@H]2CCC[N@@H+]2C)CC1 ZINC000352187763 286315064 /nfs/dbraw/zinc/31/50/64/286315064.db2.gz UOYNQDDLLJREET-INIZCTEOSA-N 2 0 310.482 2.772 20 0 DFADRP C[C@@H]([NH3+])[C@H]1CCCCN1C(=O)c1ccc(Nc2cc[nH+]cc2)cc1 ZINC000428127972 296681160 /nfs/dbraw/zinc/68/11/60/296681160.db2.gz ZAXCWAPJWNHXTJ-RDTXWAMCSA-N 2 0 324.428 2.589 20 0 DFADRP CCO[C@@H]1C[C@H]([NH2+]C2CC(C)(C)[NH2+]C(C)(C)C2)C12CCOCC2 ZINC000186211944 286382447 /nfs/dbraw/zinc/38/24/47/286382447.db2.gz FWLYRCDMLBQOOU-JKSUJKDBSA-N 2 0 324.509 2.859 20 0 DFADRP Cc1ccc2nc(C[N@H+](CCC[NH3+])CC3CCCC3)cn2c1 ZINC000352526543 286398393 /nfs/dbraw/zinc/39/83/93/286398393.db2.gz OUKMWAZGJQKIOJ-UHFFFAOYSA-N 2 0 300.450 2.984 20 0 DFADRP C[NH+]1CCC(O)(C[NH2+]C2CC(c3ccccc3Cl)C2)CC1 ZINC000352625145 286424145 /nfs/dbraw/zinc/42/41/45/286424145.db2.gz DSSWXKRWOOERKL-UHFFFAOYSA-N 2 0 308.853 2.632 20 0 DFADRP CC1=C[C@H](C)C[C@H](C[NH2+][C@@H](CC(C)C)C(=O)NCC[NH+](C)C)C1 ZINC000352799468 286471048 /nfs/dbraw/zinc/47/10/48/286471048.db2.gz OHHJUDODSJFOHZ-SZMVWBNQSA-N 2 0 323.525 2.661 20 0 DFADRP CSc1ccc(C[NH2+]C2CCN(CC[NH+](C)C)CC2)s1 ZINC000352821079 286476327 /nfs/dbraw/zinc/47/63/27/286476327.db2.gz FSHNLFYUEWTETC-UHFFFAOYSA-N 2 0 313.536 2.586 20 0 DFADRP CC[C@@H]([NH2+]C1CC[NH+](CC2CC2)CC1)C1(C(=O)OC)CCC1 ZINC000353337547 286616953 /nfs/dbraw/zinc/61/69/53/286616953.db2.gz PSFBCKKARVIFFM-MRXNPFEDSA-N 2 0 308.466 2.572 20 0 DFADRP Cc1cc(C)cc(C[N@H+]2CCCC[C@H](N3CCN(C)CC3)C2)c1 ZINC000182892742 158010213 /nfs/dbraw/zinc/01/02/13/158010213.db2.gz KIFAINCEPZSHAE-FQEVSTJZSA-N 2 0 315.505 2.905 20 0 DFADRP C[N@H+](CCCN1CC[NH+](C)CC1)[C@@H]1CCCc2ccc(F)cc21 ZINC000182963067 158011289 /nfs/dbraw/zinc/01/12/89/158011289.db2.gz AZIUVPNCYZMMQC-LJQANCHMSA-N 2 0 319.468 2.772 20 0 DFADRP [NH3+]C1(C(=O)N2CCC[C@@H]([NH+]3CCCCCC3)C2)CCCCC1 ZINC000237885943 158079686 /nfs/dbraw/zinc/07/96/86/158079686.db2.gz PVHAAKOXNCTQMF-MRXNPFEDSA-N 2 0 307.482 2.515 20 0 DFADRP CC[N@H+](C)Cc1cccc(C[NH2+][C@@H]2C[C@@H](C)[NH+](C)C[C@H]2C)c1 ZINC000246870064 158103812 /nfs/dbraw/zinc/10/38/12/158103812.db2.gz CNGQMXDZHMQNAK-GPMSIDNRSA-N 2 0 303.494 2.957 20 0 DFADRP CC[NH+](CC)[C@@H](CN[C@H]1CC[N@H+](CC)C[C@@H]1C)c1ccco1 ZINC000246936819 158106553 /nfs/dbraw/zinc/10/65/53/158106553.db2.gz HKJAGIGKZUXYTG-ULQDDVLXSA-N 2 0 307.482 2.982 20 0 DFADRP CC[N@@H+]1CC[C@H](C[NH2+][C@H](C)c2ccc(OCC[NH+](C)C)cc2)C1 ZINC000246944344 158106615 /nfs/dbraw/zinc/10/66/15/158106615.db2.gz HUBJROOUUKEGPK-IAGOWNOFSA-N 3 0 319.493 2.619 20 0 DFADRP CC[N@@H+]1CC[C@@H]([NH2+]Cc2cccc(Cn3cccn3)c2)[C@@H](C)C1 ZINC000246961908 158108401 /nfs/dbraw/zinc/10/84/01/158108401.db2.gz IPJLUASVDXBBGW-QFBILLFUSA-N 2 0 312.461 2.751 20 0 DFADRP O[C@@H](Cc1ccccc1)C[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000246969409 158110496 /nfs/dbraw/zinc/11/04/96/158110496.db2.gz GQCVCSUSTNDUSR-MOPGFXCFSA-N 2 0 302.462 2.540 20 0 DFADRP CCOc1ccc(OCC[N@H+](C)[C@H]2CCN(C)[C@@H](C)C2)cc1 ZINC000246978948 158111575 /nfs/dbraw/zinc/11/15/75/158111575.db2.gz SGNAVPHLYMNUOK-HOTGVXAUSA-N 2 0 306.450 2.879 20 0 DFADRP C[C@@H]1C[C@@H](N[C@H]2CC[NH+](C3CC3)C2)CC[N@@H+]1Cc1ccccc1 ZINC000247034115 158115108 /nfs/dbraw/zinc/11/51/08/158115108.db2.gz NTVQOUAGZQGSPI-NEWSRXKRSA-N 2 0 313.489 2.866 20 0 DFADRP CC[N@@H+]1CC[C@H]([NH2+]CCCc2ccc(OC)c(OC)c2)[C@@H](C)C1 ZINC000247174248 158122360 /nfs/dbraw/zinc/12/23/60/158122360.db2.gz UUAIYGPWSZESNC-RDJZCZTQSA-N 2 0 320.477 2.956 20 0 DFADRP CC[NH+]1CCN([C@H]2CC[N@@H+]([C@H]3CCCc4ccccc43)C2)CC1 ZINC000247403773 158133596 /nfs/dbraw/zinc/13/35/96/158133596.db2.gz RTLJLVAYGLXUPO-ICSRJNTNSA-N 2 0 313.489 2.776 20 0 DFADRP CC[N@@H+]1CC[C@H](NCCC[NH+](C)Cc2ccccc2)[C@@H](C)C1 ZINC000248029087 158156351 /nfs/dbraw/zinc/15/63/51/158156351.db2.gz PYTUJFAAPAAOBP-HKUYNNGSSA-N 2 0 303.494 2.828 20 0 DFADRP CC(C)C[C@@H]([NH2+]CCCC[N@@H+]1CCC[C@H]1CO)c1ccccn1 ZINC000248155883 158162725 /nfs/dbraw/zinc/16/27/25/158162725.db2.gz RJCPJEYUKUIRPM-PKOBYXMFSA-N 2 0 319.493 2.995 20 0 DFADRP Cc1ccc2c(c1)[C@H]([NH2+]CCCC[N@@H+]1CCC[C@H]1CO)CC2 ZINC000248170130 158163186 /nfs/dbraw/zinc/16/31/86/158163186.db2.gz UPHMDEXOSSRUPH-PKOBYXMFSA-N 2 0 302.462 2.809 20 0 DFADRP COc1ccc([C@@H](C)[NH2+]CCCC[N@@H+]2CCC[C@H]2CO)cc1 ZINC000248201709 158164111 /nfs/dbraw/zinc/16/41/11/158164111.db2.gz YXSDLPXEHBWKLD-WBVHZDCISA-N 2 0 306.450 2.583 20 0 DFADRP C[N@@H+]1CCC[C@@H]2CN(CC(=O)Nc3cccc(Cl)c3)CC[C@H]21 ZINC000248186258 158164955 /nfs/dbraw/zinc/16/49/55/158164955.db2.gz XKWQMVVQWFCXOV-CZUORRHYSA-N 2 0 321.852 2.695 20 0 DFADRP CCOCCC[N@@H+]1CC[C@H](N[C@H](C)c2nccs2)[C@H](C)C1 ZINC000248184175 158165180 /nfs/dbraw/zinc/16/51/80/158165180.db2.gz XAASDZMSTWPWBL-KFWWJZLASA-N 2 0 311.495 2.931 20 0 DFADRP c1cn(CC[NH2+][C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)cn1 ZINC000248410562 158174037 /nfs/dbraw/zinc/17/40/37/158174037.db2.gz YDMPTQOCRNZBNN-SLFFLAALSA-N 2 0 324.472 2.773 20 0 DFADRP O[C@@H]1CC[N@H+](Cc2ccccc2C[NH2+]C[C@@H]2CC=CCC2)C1 ZINC000248440379 158176389 /nfs/dbraw/zinc/17/63/89/158176389.db2.gz JJWQNOBJTIOSEJ-VQIMIIECSA-N 2 0 300.446 2.699 20 0 DFADRP O[C@@H]1CCCC[C@H]1[NH2+][C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000248583124 158185871 /nfs/dbraw/zinc/18/58/71/158185871.db2.gz WOBKMHWOVIVDIS-OMQSBVIBSA-N 2 0 314.473 2.790 20 0 DFADRP CC[N@@H+]1CCCC[C@H]1C(=O)NCC[NH+]1CC=C(C(C)(C)C)CC1 ZINC000354919007 158244630 /nfs/dbraw/zinc/24/46/30/158244630.db2.gz WCLLHEGCAACJGI-KRWDZBQOSA-N 2 0 321.509 2.655 20 0 DFADRP C[C@H]([NH2+]CCc1ccc(OCC[NH+](C)C)cc1)[C@H]1CCCOC1 ZINC000356870819 158317494 /nfs/dbraw/zinc/31/74/94/158317494.db2.gz OMRNPAOXSJWJTQ-WMZOPIPTSA-N 2 0 320.477 2.574 20 0 DFADRP CC[C@@H]1C[C@H](C[NH+]2CCC(CC[NH+]3CCOCC3)CC2)CCO1 ZINC000356968609 158334600 /nfs/dbraw/zinc/33/46/00/158334600.db2.gz QFHHXTUMVAYONR-RTBURBONSA-N 2 0 324.509 2.626 20 0 DFADRP Cc1ccc(-c2n[nH]cc2C[NH+]2CCC([C@H]3CC[NH2+]C3)CC2)o1 ZINC000357038794 158353510 /nfs/dbraw/zinc/35/35/10/158353510.db2.gz AAVWNLMRSULLPQ-HNNXBMFYSA-N 2 0 314.433 2.800 20 0 DFADRP O=c1[nH]c2ccccc2cc1C[NH+]1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000357043649 158355599 /nfs/dbraw/zinc/35/55/99/158355599.db2.gz GTQHORHUEDTVEW-MRXNPFEDSA-N 2 0 311.429 2.762 20 0 DFADRP COc1cc(C[NH+]2CCC([C@H]3CC[NH2+]C3)CC2)cc(OC)c1 ZINC000357053723 158357101 /nfs/dbraw/zinc/35/71/01/158357101.db2.gz PUIZYINRHJAQFZ-INIZCTEOSA-N 2 0 304.434 2.525 20 0 DFADRP C[C@H](C[NH2+][C@@H]1CC[N@H+](C)C[C@@H]1C)c1nc(-c2ccccc2)no1 ZINC000358376798 158372776 /nfs/dbraw/zinc/37/27/76/158372776.db2.gz SULWTAPPARYECR-IJEWVQPXSA-N 2 0 314.433 2.770 20 0 DFADRP C[C@H]1C[N@H+](C)C[C@@H]1NC1C[C@H]2CC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC000358390152 158376431 /nfs/dbraw/zinc/37/64/31/158376431.db2.gz XOPLJXVGRPLAQN-VNVJMFPYSA-N 2 0 313.489 2.722 20 0 DFADRP CC[NH+](CC)[C@H](C(=O)N1CCC[C@H]([NH+](C)C)C1)c1ccccc1 ZINC000358557596 158389183 /nfs/dbraw/zinc/38/91/83/158389183.db2.gz FFZJREOURMLOJH-ROUUACIJSA-N 2 0 317.477 2.622 20 0 DFADRP C[C@@H](C(=O)N(CCC[NH3+])CC1CCCC1)[C@H]([NH3+])c1ccccc1 ZINC000357353238 286743839 /nfs/dbraw/zinc/74/38/39/286743839.db2.gz LILQGWQVGGAZPU-QAPCUYQASA-N 2 0 317.477 2.690 20 0 DFADRP C[NH2+]CC1CC[NH+]([C@H](C)C(=O)Nc2ccc(C)c(C)c2)CC1 ZINC000430929456 296812668 /nfs/dbraw/zinc/81/26/68/296812668.db2.gz XBWMDASQLJQJOF-OAHLLOKOSA-N 2 0 303.450 2.562 20 0 DFADRP CCc1ccc(NC(=O)[C@@H](C)[NH+]2CCC([C@H](C)[NH3+])CC2)cc1 ZINC000430944797 296814288 /nfs/dbraw/zinc/81/42/88/296814288.db2.gz OALFVLPESIZVSQ-UONOGXRCSA-N 2 0 303.450 2.635 20 0 DFADRP C[C@@H]([NH3+])C1CC[NH+](CC(=O)N(C2CC2)C2CCC(C)CC2)CC1 ZINC000430943425 296813911 /nfs/dbraw/zinc/81/39/11/296813911.db2.gz IBLBBYZCHMCZLR-ISXOHVOVSA-N 2 0 321.509 2.615 20 0 DFADRP O=C(C[C@H]1CCC[NH2+]1)Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC000431067339 296820240 /nfs/dbraw/zinc/82/02/40/296820240.db2.gz VZPGPQHOUZDWNT-GOSISDBHSA-N 2 0 315.461 2.796 20 0 DFADRP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC000354409400 287013020 /nfs/dbraw/zinc/01/30/20/287013020.db2.gz SLFLIVVDYIUAQE-MSOLQXFVSA-N 2 0 323.525 2.878 20 0 DFADRP CO[C@@H]1CC[NH+](C[C@@H](C)C[N@H+]2CC[C@H](OC)C[C@H]2C)[C@@H](C)C1 ZINC000441373854 297181691 /nfs/dbraw/zinc/18/16/91/297181691.db2.gz CJOVXANROZFGMP-PECIQYQJSA-N 2 0 312.498 2.621 20 0 DFADRP CC[NH+](CC)[C@H](CNC(=O)C[N@H+](CC)C1CC1)c1ccsc1 ZINC000131052606 196135967 /nfs/dbraw/zinc/13/59/67/196135967.db2.gz CSPZSYYEJCVGPX-MRXNPFEDSA-N 2 0 323.506 2.732 20 0 DFADRP C[C@@H]1C[C@H]([NH2+]CCc2nccn2Cc2ccccc2)CC[N@@H+]1C ZINC000132128650 196228258 /nfs/dbraw/zinc/22/82/58/196228258.db2.gz QTDWSMKAISZXJQ-SJLPKXTDSA-N 2 0 312.461 2.546 20 0 DFADRP COc1ccc([C@@H](C)[NH2+]C[C@@H](C(C)C)N2CC[NH+](C)CC2)cc1 ZINC000132328689 196246715 /nfs/dbraw/zinc/24/67/15/196246715.db2.gz JYEZICJJFBDXHF-APWZRJJASA-N 2 0 319.493 2.618 20 0 DFADRP CC(C)[C@H](C[NH2+][C@@H]1CCc2ccccc21)N1CC[NH+](C)CC1 ZINC000132329085 196245931 /nfs/dbraw/zinc/24/59/31/196245931.db2.gz ZJEIHSNIVKULHL-MOPGFXCFSA-N 2 0 301.478 2.536 20 0 DFADRP COc1ccc([C@@H](C)[NH2+]C[C@H](C(C)C)N2CC[NH+](C)CC2)cc1 ZINC000132328526 196246067 /nfs/dbraw/zinc/24/60/67/196246067.db2.gz JYEZICJJFBDXHF-VQIMIIECSA-N 2 0 319.493 2.618 20 0 DFADRP CCN1CCC[C@@H]([NH2+][C@@H](C)c2ccc(OCC[NH+](C)C)cc2)C1 ZINC000132995828 196303139 /nfs/dbraw/zinc/30/31/39/196303139.db2.gz BYVBIZKNLWEDHC-FUHWJXTLSA-N 2 0 319.493 2.762 20 0 DFADRP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)C[C@@H]2CCC[C@H]2[NH3+])C1 ZINC000261765149 287272000 /nfs/dbraw/zinc/27/20/00/287272000.db2.gz NXHJFKRXDKXPBR-VSZNYVQBSA-N 2 0 321.509 2.617 20 0 DFADRP Cc1ccc(C[NH+]2CCC(C[NH+]3CCOCC3)CC2)cc1F ZINC000134132321 196364296 /nfs/dbraw/zinc/36/42/96/196364296.db2.gz LMVLDEWPXYAXRY-UHFFFAOYSA-N 2 0 306.425 2.678 20 0 DFADRP CC[N@H+](CC(=O)Nc1ccc(C[NH+]2CCCC2)cc1)C1CC1 ZINC000134244069 196374188 /nfs/dbraw/zinc/37/41/88/196374188.db2.gz GOYGXYCPFRUYQO-UHFFFAOYSA-N 2 0 301.434 2.705 20 0 DFADRP C[C@@H]1CCCC[C@H]1C[N@H+](C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000377633475 287306356 /nfs/dbraw/zinc/30/63/56/287306356.db2.gz UVFHYBGRLHPFGT-ZIFCJYIRSA-N 2 0 307.526 2.913 20 0 DFADRP C[C@@H]1CCCC[C@H]1C[N@@H+]1CCC[C@H](CN2CC[NH+](C)CC2)C1 ZINC000377623455 287307370 /nfs/dbraw/zinc/30/73/70/287307370.db2.gz JLNXYIFPNSZPOR-QRVBRYPASA-N 2 0 307.526 2.772 20 0 DFADRP C[C@H]1CCCC[N@@H+]1C[C@H]1CCCN(Cc2cnn3c2CCC3)C1 ZINC000667561238 543630813 /nfs/dbraw/zinc/63/08/13/543630813.db2.gz PRVFFXBSNCBFRL-IRXDYDNUSA-N 2 0 316.493 2.916 20 0 DFADRP Cc1ccccc1[C@H]([NH3+])C(=O)Nc1ccc(CC[NH+](C)C)cc1 ZINC000295602434 225034601 /nfs/dbraw/zinc/03/46/01/225034601.db2.gz CZWKNQNGXYZMAG-SFHVURJKSA-N 2 0 311.429 2.738 20 0 DFADRP CC[N@@H+]1CC[C@@H](N(C)Cc2c(C3CCC3)cnn2C)[C@@H](C)C1 ZINC000667666245 543655069 /nfs/dbraw/zinc/65/50/69/543655069.db2.gz GWWCTGABSYJPTK-WMLDXEAASA-N 2 0 304.482 2.850 20 0 DFADRP CC[N@@H+]1CC[C@@H](N(C)Cc2c(C(F)(F)F)cnn2C)[C@H](C)C1 ZINC000667666084 543655075 /nfs/dbraw/zinc/65/50/75/543655075.db2.gz BXPHXPBNJCFXEG-DGCLKSJQSA-N 2 0 318.387 2.601 20 0 DFADRP Cc1ncc(C[N@@H+]2CC[C@@](O)(Cc3cccc(Cl)c3)C2)n1C ZINC000667712756 543665028 /nfs/dbraw/zinc/66/50/28/543665028.db2.gz OVLATNZTGAUWRC-QGZVFWFLSA-N 2 0 319.836 2.561 20 0 DFADRP CCCn1nccc1C[N@@H+]1CC[C@@H](n2cnc3c2CCCC3)C1 ZINC000668013783 543723537 /nfs/dbraw/zinc/72/35/37/543723537.db2.gz HQSJYUNWWFXIDH-OAHLLOKOSA-N 2 0 313.449 2.815 20 0 DFADRP Cc1cccc2[nH]c(C[N@@H+](C)CCCN(C)CC[NH+](C)C)cc21 ZINC000668176482 543760073 /nfs/dbraw/zinc/76/00/73/543760073.db2.gz WXZSJJNVWURMCV-UHFFFAOYSA-N 2 0 316.493 2.792 20 0 DFADRP O[C@@H]1CC[N@H+](Cc2ccc(C[NH2+][C@H]3CCC[C@@H]4C[C@@H]43)cc2)C1 ZINC000668489012 543813994 /nfs/dbraw/zinc/81/39/94/543813994.db2.gz JBPZBOJLFPTPRG-YRXWBPOGSA-N 2 0 300.446 2.531 20 0 DFADRP C[C@@H](CN(C)CCC[NH+](C)C)[NH2+]C[C@H]1C[C@H]1c1ccccc1 ZINC000668474553 543812449 /nfs/dbraw/zinc/81/24/49/543812449.db2.gz CIPJVTDCHPZZIH-UHOSZYNNSA-N 2 0 303.494 2.652 20 0 DFADRP C[C@H](CCc1ccccc1)C[NH+]1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000668739177 543858182 /nfs/dbraw/zinc/85/81/82/543858182.db2.gz KAGBDOGDMKPFCP-XLIONFOSSA-N 2 0 316.489 2.786 20 0 DFADRP Fc1ccc2c(c1)C[C@@H]1[C@@H]([NH2+]C3CC[NH+](CC4CC4)CC3)[C@H]21 ZINC000668744428 543859991 /nfs/dbraw/zinc/85/99/91/543859991.db2.gz NCFXILYOVZJMJR-IPMKNSEASA-N 2 0 300.421 2.928 20 0 DFADRP C[C@H]1CCc2ccccc2[C@H]1[NH2+]CCN1CC[N@H+](C)C(C)(C)C1 ZINC000669618793 543976116 /nfs/dbraw/zinc/97/61/16/543976116.db2.gz PMTDOSAQLWKOJF-LPHOPBHVSA-N 2 0 315.505 2.926 20 0 DFADRP [NH3+]CC1(CC(=O)N2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)CCCCC1 ZINC000669519615 543959474 /nfs/dbraw/zinc/95/94/74/543959474.db2.gz KOLRRUXKWLOPLZ-SJORKVTESA-N 2 0 321.509 2.524 20 0 DFADRP C[C@@H]([NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1)c1ccc2[nH]c(=O)oc2c1 ZINC000671740772 544104354 /nfs/dbraw/zinc/10/43/54/544104354.db2.gz COVJLNGVBWMHNO-NEPJUHHUSA-N 2 0 301.390 2.668 20 0 DFADRP C[NH+](C)C1CCC([NH2+]C[C@@H]2CCN(c3ccccc3)C2)CC1 ZINC000671740928 544104893 /nfs/dbraw/zinc/10/48/93/544104893.db2.gz BTWOPIZWUCMSLR-AOCRQIFASA-N 2 0 301.478 2.975 20 0 DFADRP C[NH+](C)C1CCC([NH2+]Cc2ccc(C(=O)NC3CC3)cc2)CC1 ZINC000671743363 544105323 /nfs/dbraw/zinc/10/53/23/544105323.db2.gz SJFXOHKUCDFUHH-UHFFFAOYSA-N 2 0 315.461 2.541 20 0 DFADRP CC(C)[C@H]1CC[C@H]1[NH2+]Cc1ccc(CN2CC[NH+](C)CC2)cc1 ZINC000671742063 544105460 /nfs/dbraw/zinc/10/54/60/544105460.db2.gz WTENCXZTZVTJDU-WOJBJXKFSA-N 2 0 315.505 2.958 20 0 DFADRP CCCc1ccc(C[NH2+]CCN2CCC([NH+](C)C)CC2)cc1 ZINC000674045308 544215364 /nfs/dbraw/zinc/21/53/64/544215364.db2.gz WFQQQRALGNMUAQ-UHFFFAOYSA-N 2 0 303.494 2.755 20 0 DFADRP C[N@@H+]1CCCN(CCC[NH2+]Cc2ccccc2C2CC2)CC1 ZINC000674334547 544232206 /nfs/dbraw/zinc/23/22/06/544232206.db2.gz VNSVHVULPMXHQP-UHFFFAOYSA-N 2 0 301.478 2.681 20 0 DFADRP CCOc1cc(C[N@@H+]2CCC[C@H]3C[NH+](C)CC[C@@H]32)ccc1O ZINC000297471614 227212169 /nfs/dbraw/zinc/21/21/69/227212169.db2.gz RFRXRIOKIWDQHY-HOTGVXAUSA-N 2 0 304.434 2.707 20 0 DFADRP Cc1cccn2cc(C[NH2+]C3CCN(c4cc[nH+]cc4)CC3)nc12 ZINC000297583854 227333771 /nfs/dbraw/zinc/33/37/71/227333771.db2.gz IPRLVDIYXVXJSL-UHFFFAOYSA-N 2 0 321.428 2.796 20 0 DFADRP C[N@@H+]1CCCC[C@@H]1CC[NH+]1C[C@H]2CN(c3ccccc3)C[C@@H]2C1 ZINC000675491112 544315828 /nfs/dbraw/zinc/31/58/28/544315828.db2.gz PEKDKQMKPCITOE-GBESFXJTSA-N 2 0 313.489 2.929 20 0 DFADRP CC[N@@H+]1CC[C@H]([NH2+]CCN2CCCc3ccccc32)[C@@H](C)C1 ZINC000675783280 544336170 /nfs/dbraw/zinc/33/61/70/544336170.db2.gz FPQXJAIKCJIYSW-WMZOPIPTSA-N 2 0 301.478 2.759 20 0 DFADRP C[NH+]1CCN(C(C)(C)C[NH2+][C@@H](Cc2ccccc2)C2CC2)CC1 ZINC000675742990 544333400 /nfs/dbraw/zinc/33/34/00/544333400.db2.gz YJZZROWGJVKZKM-IBGZPJMESA-N 2 0 315.505 2.623 20 0 DFADRP C[C@H]([NH2+][C@H]1CCC[C@@H](O)C1)c1cccc(OCC[NH+](C)C)c1 ZINC000675766215 544334464 /nfs/dbraw/zinc/33/44/64/544334464.db2.gz FFNIHHJTETZGJJ-BHYGNILZSA-N 2 0 306.450 2.581 20 0 DFADRP C[NH+]1CCC(N2CC[C@@H]([NH2+]C3C4CC5CC(C4)CC3C5)C2)CC1 ZINC000675871242 544341447 /nfs/dbraw/zinc/34/14/47/544341447.db2.gz JRJWDYNWSYFUCT-ORPJZTTNSA-N 2 0 317.521 2.569 20 0 DFADRP C[C@@H]([NH2+]C[C@@H](C[C@H](C)O)c1ccccc1)C1CC[NH+](C)CC1 ZINC000675935227 544345677 /nfs/dbraw/zinc/34/56/77/544345677.db2.gz DTYULDOZSBOGOZ-FRQCXROJSA-N 2 0 304.478 2.861 20 0 DFADRP COc1ccc(COCC[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)cc1 ZINC000675897701 544342917 /nfs/dbraw/zinc/34/29/17/544342917.db2.gz RQJKSTXUSYOULQ-MJGOQNOKSA-N 2 0 318.461 2.628 20 0 DFADRP CC(=O)N1CC[C@H]([NH2+]C2CC[NH+](C3CCCCC3)CC2)[C@H](C)C1 ZINC000675916222 544344257 /nfs/dbraw/zinc/34/42/57/544344257.db2.gz YOYALDMTSBPXIP-BEFAXECRSA-N 2 0 321.509 2.630 20 0 DFADRP CC[NH+]1CCN(CCCC[NH2+][C@@H](C)c2nc(C)sc2C)CC1 ZINC000676490678 544379307 /nfs/dbraw/zinc/37/93/07/544379307.db2.gz RCMJRMCVHBUKOH-AWEZNQCLSA-N 2 0 324.538 2.828 20 0 DFADRP CC(C)[NH+]1CCN(C2CC[NH+]([C@@H](C)c3ccncc3)CC2)CC1 ZINC000677739008 544534964 /nfs/dbraw/zinc/53/49/64/544534964.db2.gz WYRRYVWVYCIMQW-KRWDZBQOSA-N 2 0 316.493 2.633 20 0 DFADRP C[C@@H](CO)C[N@@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000678044675 544587326 /nfs/dbraw/zinc/58/73/26/544587326.db2.gz RPGTVDFFGUSCBK-IEBWSBKVSA-N 2 0 302.462 2.603 20 0 DFADRP Cc1nnc([C@@H]2CCC[N@H+](CCCCn3ccnc3C)C2)o1 ZINC000678074611 544594349 /nfs/dbraw/zinc/59/43/49/544594349.db2.gz QLOBPEXBVMFEFR-OAHLLOKOSA-N 2 0 303.410 2.543 20 0 DFADRP COc1c(Br)cccc1C[NH+]1CCC(C[NH3+])CC1 ZINC000435375393 296957868 /nfs/dbraw/zinc/95/78/68/296957868.db2.gz UVESMLPBKXWFPP-UHFFFAOYSA-N 2 0 313.239 2.628 20 0 DFADRP CC[N@@H+]1CCC[C@@H]1CN(C)Cc1ccc(OCC[NH+](C)C)cc1 ZINC000678259142 544635326 /nfs/dbraw/zinc/63/53/26/544635326.db2.gz CYCIDSPWGCPQQV-GOSISDBHSA-N 2 0 319.493 2.543 20 0 DFADRP C[C@]1([NH2+]Cc2ccc(OCC[NH+]3CCCC3)cc2)CCCOC1 ZINC000678500199 544684348 /nfs/dbraw/zinc/68/43/48/544684348.db2.gz JFYQTSYBORLJAY-IBGZPJMESA-N 2 0 318.461 2.820 20 0 DFADRP Cc1ccc([C@H](C)[NH2+]C[C@@H](C(C)C)N2CC[NH+](C)CC2)c(C)n1 ZINC000678412047 544668752 /nfs/dbraw/zinc/66/87/52/544668752.db2.gz RTXOKYFXMMFIOG-LPHOPBHVSA-N 2 0 318.509 2.621 20 0 DFADRP CC[N@@H+]1CC[C@@H](N(C)Cc2cn3cccc(F)c3n2)C[C@H]1C ZINC000678276598 544640990 /nfs/dbraw/zinc/64/09/90/544640990.db2.gz KEPUFUZVXRHKHN-UKRRQHHQSA-N 2 0 304.413 2.778 20 0 DFADRP CC[N@@H+]1CC[C@H](N(C)Cc2cn3cccc(F)c3n2)C[C@H]1C ZINC000678276597 544641177 /nfs/dbraw/zinc/64/11/77/544641177.db2.gz KEPUFUZVXRHKHN-HIFRSBDPSA-N 2 0 304.413 2.778 20 0 DFADRP CO[C@@H](C)C[N@H+](Cc1ccc(OCC[NH+](C)C)cc1)C(C)C ZINC000678277546 544641504 /nfs/dbraw/zinc/64/15/04/544641504.db2.gz WZQSAHCBJVBZCJ-INIZCTEOSA-N 2 0 308.466 2.872 20 0 DFADRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H]2CCC[C@H](OC)C2)[C@H](C)C1 ZINC000678603055 544700292 /nfs/dbraw/zinc/70/02/92/544700292.db2.gz IUGGCZFXYLAOHA-BDXSIMOUSA-N 2 0 312.498 2.671 20 0 DFADRP CC(C)[C@H]([NH2+][C@@H]1CCN(C2CC[NH+](C)CC2)C1)c1cccnc1 ZINC000678686349 544710882 /nfs/dbraw/zinc/71/08/82/544710882.db2.gz OXLVAIBYSKMEKS-MJGOQNOKSA-N 2 0 316.493 2.537 20 0 DFADRP CN1CC[NH+](CCCC[NH2+][C@@H]2CCCc3ccc(F)cc32)CC1 ZINC000678923704 544749422 /nfs/dbraw/zinc/74/94/22/544749422.db2.gz ANCDVKGMCBJIES-LJQANCHMSA-N 2 0 319.468 2.820 20 0 DFADRP C[C@H](C[NH2+][C@@H]1CCN(C2CC[NH+](C)CC2)C1)c1ccc(F)cc1 ZINC000678957085 544756211 /nfs/dbraw/zinc/75/62/11/544756211.db2.gz SAAQDPVDHKAKOJ-CRAIPNDOSA-N 2 0 319.468 2.687 20 0 DFADRP Cc1cc(N2CC[NH+](C)CC2)ccc1N[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000678999380 544766181 /nfs/dbraw/zinc/76/61/81/544766181.db2.gz AONBIORCUATUGP-IAGOWNOFSA-N 2 0 316.493 2.641 20 0 DFADRP C[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+][C@@H]2CCc3nccn3C2)CC1 ZINC000679025430 544769475 /nfs/dbraw/zinc/76/94/75/544769475.db2.gz SCMMXQQPRSZFPC-NXHRZFHOSA-N 2 0 316.493 2.831 20 0 DFADRP C[C@H]([NH2+]C1(c2ccc3c(c2)OCO3)CC1)C1CC[NH+](C)CC1 ZINC000679071775 544778209 /nfs/dbraw/zinc/77/82/09/544778209.db2.gz MWWJPCYCPPOJQS-ZDUSSCGKSA-N 2 0 302.418 2.724 20 0 DFADRP Clc1ccc(OCC[NH+]2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC000679436566 544853161 /nfs/dbraw/zinc/85/31/61/544853161.db2.gz KTFQTFGGMBHOMM-UHFFFAOYSA-N 2 0 317.820 2.936 20 0 DFADRP CC(C)(CO)C[NH2+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000679720576 544905552 /nfs/dbraw/zinc/90/55/52/544905552.db2.gz CMUXHTYFFGSQOB-GUDVDZBRSA-N 2 0 316.489 2.895 20 0 DFADRP C[C@H]([NH2+][C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1)C1CC[NH+](C)CC1 ZINC000679723021 544905811 /nfs/dbraw/zinc/90/58/11/544905811.db2.gz JLWALJCNRBBGTP-BQFCYCMXSA-N 2 0 307.526 2.959 20 0 DFADRP c1ccc(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH2+]C4CSC4)[C@@H]3C2)cc1 ZINC000680334014 544992819 /nfs/dbraw/zinc/99/28/19/544992819.db2.gz KMFBAKVRZGQSCU-CGTJXYLNSA-N 2 0 302.487 2.992 20 0 DFADRP CN(C)c1cc[nH+]c(NC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)c1 ZINC000680253994 544979098 /nfs/dbraw/zinc/97/90/98/544979098.db2.gz MKUGCQOXOOMKMD-CQSZACIVSA-N 2 0 316.449 2.741 20 0 DFADRP CCCC[N@H+](C)CC1CC[NH+]([C@@H](C)C(=O)NC(C)(C)C)CC1 ZINC000066960869 425907814 /nfs/dbraw/zinc/90/78/14/425907814.db2.gz GSPAZYDOMDXIHU-HNNXBMFYSA-N 2 0 311.514 2.734 20 0 DFADRP CC[NH+]1CCN([C@H](C)C[NH2+][C@@H](C)c2cc(C)ccc2OC)CC1 ZINC000155638662 425923122 /nfs/dbraw/zinc/92/31/22/425923122.db2.gz SPVUDEIHAQMUCA-SJORKVTESA-N 2 0 319.493 2.680 20 0 DFADRP CC(C)[N@@H+]1CCC[C@H](CNC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC000156007969 425932662 /nfs/dbraw/zinc/93/26/62/425932662.db2.gz HJJNSZFDCCTFNA-QGZVFWFLSA-N 2 0 317.477 2.598 20 0 DFADRP CC(C)[C@@H](C(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)[NH+]1CCCCC1 ZINC000085290342 267448410 /nfs/dbraw/zinc/44/84/10/267448410.db2.gz WNOIJCZERORYKP-HOTGVXAUSA-N 2 0 311.514 2.589 20 0 DFADRP COC(=O)C1CCC([NH2+]CCC[NH+]2C[C@@H](C)C[C@H](C)C2)CC1 ZINC000192439370 268036696 /nfs/dbraw/zinc/03/66/96/268036696.db2.gz GYUDQNSXQXJWAV-JUVOFCAFSA-N 2 0 310.482 2.676 20 0 DFADRP C[NH+]1CCN(CCC(C)(C)[NH2+]Cc2cc(Cl)cs2)CC1 ZINC000193222280 268062739 /nfs/dbraw/zinc/06/27/39/268062739.db2.gz FGIGHUDUKDUSGI-UHFFFAOYSA-N 2 0 315.914 2.907 20 0 DFADRP CC[NH+]1CCN([C@@H](C)C[NH2+]CC[C@H](C)c2ccccc2)CC1 ZINC000194210654 268095446 /nfs/dbraw/zinc/09/54/46/268095446.db2.gz YIVCFOPOEXZMHJ-ROUUACIJSA-N 2 0 303.494 2.796 20 0 DFADRP CC(C)C[NH+]1CCC(NC(=O)c2ccc(C[NH+](C)C)cc2)CC1 ZINC000195491472 268136042 /nfs/dbraw/zinc/13/60/42/268136042.db2.gz MKWGXIZJTPPARI-UHFFFAOYSA-N 2 0 317.477 2.598 20 0 DFADRP C[NH+](C)CCCC[NH2+][C@@H]1CCC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000222995218 268141108 /nfs/dbraw/zinc/14/11/08/268141108.db2.gz SGSZASOMRNYPML-CABCVRRESA-N 2 0 313.486 2.754 20 0 DFADRP CCCN(C(=O)[C@@H]([NH3+])CC)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000236756133 268150194 /nfs/dbraw/zinc/15/01/94/268150194.db2.gz CLEAVZRENVQVSR-ROUUACIJSA-N 2 0 317.477 2.627 20 0 DFADRP CCC[NH+]1CCC(CNC(=O)[C@H]2CCCCCC[C@H]2[NH3+])CC1 ZINC000236771274 268150432 /nfs/dbraw/zinc/15/04/32/268150432.db2.gz FULOPGNXRAIYFX-DLBZAZTESA-N 2 0 309.498 2.522 20 0 DFADRP CC(C)C[NH+]1CCC(NC(=O)CC[C@@H]([NH3+])c2ccccc2)CC1 ZINC000236771016 268150453 /nfs/dbraw/zinc/15/04/53/268150453.db2.gz MROHZBQWCIRLMU-GOSISDBHSA-N 2 0 317.477 2.703 20 0 DFADRP CC[C@@H](C)[C@H]([NH3+])C(=O)NC1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC000236914963 268152534 /nfs/dbraw/zinc/15/25/34/268152534.db2.gz NMGHJRZHYMYACZ-RKVPGOIHSA-N 2 0 317.477 2.702 20 0 DFADRP [NH3+][C@@H]1CCCCCC[C@@H]1C(=O)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000237857137 268160608 /nfs/dbraw/zinc/16/06/08/268160608.db2.gz MLBLPZSGNKCMJA-OKZBNKHCSA-N 2 0 321.509 2.619 20 0 DFADRP [NH3+]CCCCCCC(=O)NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000237986752 268162573 /nfs/dbraw/zinc/16/25/73/268162573.db2.gz JBDYFKNAPQSKNB-OAHLLOKOSA-N 2 0 323.506 2.910 20 0 DFADRP Cc1ccc(C[NH+]2CCC(N3CC[NH+](C(C)C)CC3)CC2)cc1 ZINC000270942998 268238312 /nfs/dbraw/zinc/23/83/12/268238312.db2.gz RTRPXFHUXDFRPF-UHFFFAOYSA-N 2 0 315.505 2.985 20 0 DFADRP C[C@H]1CCC[C@H](C)N1C(=O)C[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000047969073 425872469 /nfs/dbraw/zinc/87/24/69/425872469.db2.gz AMHRSBDHCGCPCS-IRXDYDNUSA-N 2 0 321.509 2.584 20 0 DFADRP CC(C)[NH+]1CCN(C2CC[NH+](Cc3ccccc3F)CC2)CC1 ZINC000270979298 268243329 /nfs/dbraw/zinc/24/33/29/268243329.db2.gz XCBWBSWYHQKTRA-UHFFFAOYSA-N 2 0 319.468 2.816 20 0 DFADRP C[C@H](O)C[NH+]1CCC(C[N@H+](C)C[C@@H](C)c2ccc(F)cc2)CC1 ZINC000275641545 268260008 /nfs/dbraw/zinc/26/00/08/268260008.db2.gz AOUAAPPYRFKXNU-CVEARBPZSA-N 2 0 322.468 2.954 20 0 DFADRP CC(=O)Nc1cccc([C@@H](C)[NH2+]C[C@@H]2CCc3nccn3C2)c1 ZINC000277599599 268265640 /nfs/dbraw/zinc/26/56/40/268265640.db2.gz ONDKGUFBSWBPPO-HIFRSBDPSA-N 2 0 312.417 2.755 20 0 DFADRP CC[N@H+](Cc1ccc(C(=O)N[C@@H](C)CCC[NH3+])cc1)C(C)C ZINC000295145223 268290934 /nfs/dbraw/zinc/29/09/34/268290934.db2.gz CBBVFDZAAZVNAK-HNNXBMFYSA-N 2 0 305.466 2.774 20 0 DFADRP CCCCNC(=O)[C@H](C)[NH+]1CCC(C[NH+]2CCCCCC2)CC1 ZINC000048564646 425875857 /nfs/dbraw/zinc/87/58/57/425875857.db2.gz MRPGNBGIYWSSBN-KRWDZBQOSA-N 2 0 323.525 2.879 20 0 DFADRP CCN(CC)C(=O)[C@@H](C)[NH+]1CCC(C[NH+]2CCCCCC2)CC1 ZINC000048565235 425875893 /nfs/dbraw/zinc/87/58/93/425875893.db2.gz VHBHUPITRXVEBY-QGZVFWFLSA-N 2 0 323.525 2.831 20 0 DFADRP CC(C)(C)[C@H](O)C[N@H+]1C[C@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1 ZINC000310029097 268337365 /nfs/dbraw/zinc/33/73/65/268337365.db2.gz WUDQFZIGCKOWPM-GUDVDZBRSA-N 2 0 316.489 2.847 20 0 DFADRP Cc1ccc(C[NH2+]CCc2cn(C)cn2)c(Br)c1 ZINC000313305864 268339602 /nfs/dbraw/zinc/33/96/02/268339602.db2.gz SKQSNOLVESUQKO-UHFFFAOYSA-N 2 0 308.223 2.823 20 0 DFADRP C[C@@H](c1ccc(Br)cc1)N1CCCO[C@@H](C[NH3+])C1 ZINC000313351155 268339753 /nfs/dbraw/zinc/33/97/53/268339753.db2.gz MYBSXHRHYZFTIP-FZMZJTMJSA-N 2 0 313.239 2.560 20 0 DFADRP CC(C)c1ccccc1NC(=O)C[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000324386947 268350620 /nfs/dbraw/zinc/35/06/20/268350620.db2.gz ADNMZNZSOXXDSN-IYBDPMFKSA-N 2 0 315.461 2.680 20 0 DFADRP Cc1nn2c(C[NH2+][C@H]3CCC[C@H]([NH3+])C3)c(C(C)C)nc2s1 ZINC000333103252 268374760 /nfs/dbraw/zinc/37/47/60/268374760.db2.gz FDSUABQHXHCUSJ-RYUDHWBXSA-N 2 0 307.467 2.582 20 0 DFADRP CCCc1cc(N2CCO[C@@H](C[NH+](C)C)C2)c2ccccc2[nH+]1 ZINC000124794215 425938968 /nfs/dbraw/zinc/93/89/68/425938968.db2.gz XEWHUYXZTXHJIO-INIZCTEOSA-N 2 0 313.445 2.954 20 0 DFADRP C[C@@H]1C[C@@H]([NH2+]CCOCC[NH+](C)C)c2ccsc2S1 ZINC000336806182 268435032 /nfs/dbraw/zinc/43/50/32/268435032.db2.gz KEWXUGRDASNXCO-DGCLKSJQSA-N 2 0 300.493 2.841 20 0 DFADRP CSCCC[NH+]1CCC(C[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000157920918 425941376 /nfs/dbraw/zinc/94/13/76/425941376.db2.gz MFMKMZMAFRXRFZ-GJZGRUSLSA-N 2 0 300.512 2.561 20 0 DFADRP C[C@@H]1CCC[C@@H](C)C1[NH2+]Cc1cccnc1N1CC[NH+](C)CC1 ZINC000158497669 425943958 /nfs/dbraw/zinc/94/39/58/425943958.db2.gz WWFQLTGRMMKEFO-HZPDHXFCSA-N 2 0 316.493 2.748 20 0 DFADRP CC(C)CCC[C@H](C)NC(=O)CN1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000158526544 425944109 /nfs/dbraw/zinc/94/41/09/425944109.db2.gz PJHJUYVGBCONDO-RCCFBDPRSA-N 2 0 323.525 2.734 20 0 DFADRP Cc1ccsc1[C@H](C)[NH2+]C[C@H](C(C)C)N1CC[NH+](C)CC1 ZINC000070091922 425967953 /nfs/dbraw/zinc/96/79/53/425967953.db2.gz BJALEJIUYPHISI-JKSUJKDBSA-N 2 0 309.523 2.979 20 0 DFADRP C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC000073112958 426023758 /nfs/dbraw/zinc/02/37/58/426023758.db2.gz ATDLAGVCEZRAIT-BZSNNMDCSA-N 2 0 321.509 2.584 20 0 DFADRP Cc1cn2c(n1)CC[C@@H](N[C@H](c1ncc[nH]1)c1ccccc1)C2 ZINC000126522917 426024430 /nfs/dbraw/zinc/02/44/30/426024430.db2.gz FDAPCTPSSSNSRT-WBVHZDCISA-N 2 0 307.401 2.609 20 0 DFADRP CC(C)[NH+]1CCC(C(=O)NCCCCC[NH+]2CCCCC2)CC1 ZINC000073560814 426027612 /nfs/dbraw/zinc/02/76/12/426027612.db2.gz IUOHJSAZMUFOQX-UHFFFAOYSA-N 2 0 323.525 2.879 20 0 DFADRP COc1ccc([C@H](C)N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c(OC)c1 ZINC000161639415 426032651 /nfs/dbraw/zinc/03/26/51/426032651.db2.gz OPLKPDZOZLHJMO-RRFJBIMHSA-N 2 0 304.434 2.981 20 0 DFADRP C[C@@H](C(=O)N1CCC([NH2+]C2CCCC2)CC1)[NH+]1[C@H](C)CC[C@H]1C ZINC000126779340 426036420 /nfs/dbraw/zinc/03/64/20/426036420.db2.gz UCNOTZWNIBKUGT-OAGGEKHMSA-N 2 0 321.509 2.771 20 0 DFADRP C[N@H+](CC(C)(C)O)CC1(C)CC[NH+](Cc2ccccc2)CC1 ZINC000111226592 426038461 /nfs/dbraw/zinc/03/84/61/426038461.db2.gz HXFAPTOZONDPRT-UHFFFAOYSA-N 2 0 304.478 2.991 20 0 DFADRP Cc1nccn1CCCC[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000162039404 426049423 /nfs/dbraw/zinc/04/94/23/426049423.db2.gz OZPLIUNEWKJWSY-GOSISDBHSA-N 2 0 304.482 2.780 20 0 DFADRP C[N@@H+]1CCC[C@H]1CC[NH+]1CCC(OC[C@@H]2CCCCO2)CC1 ZINC000162181509 426055825 /nfs/dbraw/zinc/05/58/25/426055825.db2.gz GGERRKVELQDFOZ-WMZOPIPTSA-N 2 0 310.482 2.521 20 0 DFADRP C[C@H](C[NH2+][C@@H]1CCSc2ccc(F)cc21)N1CC[NH+](C)CC1 ZINC000127311207 426060918 /nfs/dbraw/zinc/06/09/18/426060918.db2.gz CPBDYTHATWAHKG-CZUORRHYSA-N 2 0 323.481 2.588 20 0 DFADRP CC[C@H]([NH2+]Cc1ccc(OCC[NH+](C)C)cc1)c1cnn(C)c1 ZINC000162491597 426066035 /nfs/dbraw/zinc/06/60/35/426066035.db2.gz XUYORCHIJHKRCL-SFHVURJKSA-N 2 0 316.449 2.601 20 0 DFADRP C[C@H]1CCc2c(F)cccc2[C@@H]1[NH2+]CCCN1CC[NH+](C)CC1 ZINC000162489087 426066071 /nfs/dbraw/zinc/06/60/71/426066071.db2.gz OPTGTXKBVQSXRJ-HNAYVOBHSA-N 2 0 319.468 2.676 20 0 DFADRP C[C@H]([NH2+]Cc1ccc(OCC[NH+](C)C)cc1)c1cncs1 ZINC000162501506 426067739 /nfs/dbraw/zinc/06/77/39/426067739.db2.gz LCJGJKDHNOGBRM-ZDUSSCGKSA-N 2 0 305.447 2.934 20 0 DFADRP CC[C@@H]([NH2+]CCCN1CC[NH+](C)CC1)c1ccc(F)cc1F ZINC000162532298 426068811 /nfs/dbraw/zinc/06/88/11/426068811.db2.gz WTBNPLMXNJHHEM-QGZVFWFLSA-N 2 0 311.420 2.643 20 0 DFADRP CC[NH+](CC)C[C@@H]1CC[N@H+](CCC(=O)NCC2CCCCC2)C1 ZINC000076000787 426092258 /nfs/dbraw/zinc/09/22/58/426092258.db2.gz OGJLAEUBNJYZBR-SFHVURJKSA-N 2 0 323.525 2.737 20 0 DFADRP CCC[C@@H]([NH2+]CCC[N@@H+]1CCC[C@H](C(N)=O)C1)c1ccccc1 ZINC000127940026 426093988 /nfs/dbraw/zinc/09/39/88/426093988.db2.gz JHBHSODZJZERCE-ZWKOTPCHSA-N 2 0 317.477 2.705 20 0 DFADRP CC[N@@H+]1CC[C@@H](C[NH2+]C2CCN(Cc3cccc(F)c3)CC2)C1 ZINC000163216846 426094242 /nfs/dbraw/zinc/09/42/42/426094242.db2.gz HDAFRKZDZSGOFX-KRWDZBQOSA-N 2 0 319.468 2.722 20 0 DFADRP CC[N@@H+]1CC[C@@H](C[NH2+][C@@H](C)c2ccc(OC)c(NC(C)=O)c2)C1 ZINC000163286158 426094984 /nfs/dbraw/zinc/09/49/84/426094984.db2.gz QZMFJDMNKARTOP-ZFWWWQNUSA-N 2 0 319.449 2.646 20 0 DFADRP COCCN1CCC[C@H]1C[NH2+][C@@H]1c2cc(F)ccc2C[C@@H]1C ZINC000163459019 426100859 /nfs/dbraw/zinc/10/08/59/426100859.db2.gz WBYOPRVUVVYGKE-OWQGQXMQSA-N 2 0 306.425 2.759 20 0 DFADRP CC[C@H]([NH2+]CC1CC[NH+](CC(=O)NC(C)(C)C)CC1)C(C)C ZINC000163528578 426103506 /nfs/dbraw/zinc/10/35/06/426103506.db2.gz OZDUKNVOLDNQIE-INIZCTEOSA-N 2 0 311.514 2.637 20 0 DFADRP CC(C)[NH2+]C1CCN(c2cc(N3CCC[C@@H](C)C3)ncn2)CC1 ZINC000113247320 426108932 /nfs/dbraw/zinc/10/89/32/426108932.db2.gz CYNHPYMFJHMWDZ-OAHLLOKOSA-N 2 0 317.481 2.680 20 0 DFADRP C[C@@H]([NH2+]CCCN1CCC[N@H+](C)CC1)C(C)(C)c1ccccc1 ZINC000128251138 426109106 /nfs/dbraw/zinc/10/91/06/426109106.db2.gz MQWLVEQTGZKZGG-GOSISDBHSA-N 2 0 317.521 2.970 20 0 DFADRP Cc1ccc(C)c([C@H](C)[NH2+]CCCN2CCC[N@H+](C)CC2)c1 ZINC000128296696 426110888 /nfs/dbraw/zinc/11/08/88/426110888.db2.gz MKHJHYWJLVRPGO-SFHVURJKSA-N 2 0 303.494 2.982 20 0 DFADRP C[C@@H]1C[C@@H](NC[C@@H]2CC[NH+](CCc3ccccc3)C2)CC[N@@H+]1C ZINC000165293241 426121653 /nfs/dbraw/zinc/12/16/53/426121653.db2.gz OMKJHVPGSQIKQY-HOJAQTOUSA-N 2 0 315.505 2.623 20 0 DFADRP C[C@@H]1C[C@H](NC[C@@H]2CC[NH+](CCc3ccccc3)C2)CC[N@@H+]1C ZINC000165292996 426121983 /nfs/dbraw/zinc/12/19/83/426121983.db2.gz OMKJHVPGSQIKQY-YZGWKJHDSA-N 2 0 315.505 2.623 20 0 DFADRP CC[C@H]([NH2+]C[C@@H]1CC[N@H+](CCc2ccccc2)C1)[C@@H]1CCOC1 ZINC000165330061 426122270 /nfs/dbraw/zinc/12/22/70/426122270.db2.gz IYWKNFMDDTWMDR-ZCNNSNEGSA-N 2 0 316.489 2.956 20 0 DFADRP C[C@H]1C[C@H](NC[C@@H]2CC[NH+](CCc3ccccc3)C2)CC[N@@H+]1C ZINC000165293126 426122527 /nfs/dbraw/zinc/12/25/27/426122527.db2.gz OMKJHVPGSQIKQY-YSIASYRMSA-N 2 0 315.505 2.623 20 0 DFADRP CCC[C@H]([NH3+])C(=O)NC[C@@H](c1ccccc1)[NH+]1CCC(C)CC1 ZINC000165725464 426124389 /nfs/dbraw/zinc/12/43/89/426124389.db2.gz KLBLKSHJSDOZAL-ROUUACIJSA-N 2 0 317.477 2.703 20 0 DFADRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@H]1CCc2ccc(OC)cc21 ZINC000165969437 426124871 /nfs/dbraw/zinc/12/48/71/426124871.db2.gz AXNPVBXMJSNGIH-AEFFLSMTSA-N 2 0 306.450 2.629 20 0 DFADRP [NH3+]C1(C(=O)Nc2ccc(CC[NH+]3CCCC3)cc2)CCCCC1 ZINC000165925340 426124892 /nfs/dbraw/zinc/12/48/92/426124892.db2.gz ZDTNUPWTHCVZHR-UHFFFAOYSA-N 2 0 315.461 2.925 20 0 DFADRP Cc1ccc2c(c1)[C@@H]([NH2+]CCCN1CCC[N@@H+](C)CC1)CCC2 ZINC000166509954 426128422 /nfs/dbraw/zinc/12/84/22/426128422.db2.gz JMHWVSWYLGPSKJ-FQEVSTJZSA-N 2 0 315.505 2.990 20 0 DFADRP C[C@H]([NH2+]C(C)(C)CNC(=O)CC1CC[NH2+]CC1)c1ccccc1 ZINC000167620633 426133010 /nfs/dbraw/zinc/13/30/10/426133010.db2.gz SCUPEXVSFOQMNM-HNNXBMFYSA-N 2 0 317.477 2.622 20 0 DFADRP CC(C)C[C@H]([NH3+])C(=O)NCC(C)(C)[NH2+][C@@H](C)c1ccccc1 ZINC000167617729 426133772 /nfs/dbraw/zinc/13/37/72/426133772.db2.gz WVZBEXQSCXCSCE-HOCLYGCPSA-N 2 0 305.466 2.605 20 0 DFADRP C[N@H+](CC(=O)NC1CC[NH+](C2CC2)CC1)C1CCC(C)(C)CC1 ZINC000127591844 426075536 /nfs/dbraw/zinc/07/55/36/426075536.db2.gz SXNWYHAVKJEHIL-UHFFFAOYSA-N 2 0 321.509 2.630 20 0 DFADRP CCCCOC(=O)CC[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000134939012 426200732 /nfs/dbraw/zinc/20/07/32/426200732.db2.gz AYPORONZUKWLSP-NVXWUHKLSA-N 2 0 308.466 2.669 20 0 DFADRP C[C@@H](C[NH2+][C@@H](C)c1ccc2c(c1)OCCO2)C[NH+]1CCCC1 ZINC000171141582 426172417 /nfs/dbraw/zinc/17/24/17/426172417.db2.gz SHOFFSCWZBEKDW-GJZGRUSLSA-N 2 0 304.434 2.840 20 0 DFADRP C[C@H]1CN(C2CC[NH+](CCCCC(F)(F)F)CC2)CCO1 ZINC000133456661 426177933 /nfs/dbraw/zinc/17/79/33/426177933.db2.gz OAEMQGNXEBZLEK-ZDUSSCGKSA-N 2 0 308.388 2.904 20 0 DFADRP COc1cccc(OCC[NH+]2CCC(CC[NH+](C)C)CC2)c1 ZINC000133460905 426178525 /nfs/dbraw/zinc/17/85/25/426178525.db2.gz SOZHDKZZESUVGQ-UHFFFAOYSA-N 2 0 306.450 2.738 20 0 DFADRP CC[C@]1(C(=O)NCc2cccc(C[N@H+](C)C(C)C)c2)CCC[NH2+]1 ZINC000134580605 426189172 /nfs/dbraw/zinc/18/91/72/426189172.db2.gz CQSBZMUJXSCRDN-LJQANCHMSA-N 2 0 317.477 2.675 20 0 DFADRP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cc3ccccc3[nH]c2=O)[C@H](C)C1 ZINC000079461819 426193743 /nfs/dbraw/zinc/19/37/43/426193743.db2.gz TUKTVSVDGAUESZ-KDOFPFPSSA-N 2 0 313.445 2.690 20 0 DFADRP CC[N@@H+]1CC[C@H]([NH+](C)CCC(=O)Nc2ccccc2F)[C@H](C)C1 ZINC000081095519 426220111 /nfs/dbraw/zinc/22/01/11/426220111.db2.gz NBWNCCSMPUGYJC-PBHICJAKSA-N 2 0 321.440 2.816 20 0 DFADRP Cn1cccc1C[NH2+]Cc1ccc(OCCC[NH+](C)C)cc1 ZINC000119056764 426258364 /nfs/dbraw/zinc/25/83/64/426258364.db2.gz WOHCOWLGFSOKGV-UHFFFAOYSA-N 2 0 301.434 2.645 20 0 DFADRP COc1cc(C[NH2+]CCCC[NH+](C)C)c(SC)cc1OC ZINC000086506640 426258733 /nfs/dbraw/zinc/25/87/33/426258733.db2.gz YTGQQPGEHQBAND-UHFFFAOYSA-N 2 0 312.479 2.857 20 0 DFADRP Cc1ccc2c(c1)[C@@H]([NH2+]C1CCN(CC[NH+](C)C)CC1)CC2 ZINC000150985832 426270890 /nfs/dbraw/zinc/27/08/90/426270890.db2.gz WQULVJPDRJXIND-IBGZPJMESA-N 2 0 301.478 2.598 20 0 DFADRP CCC[N@H+](C)C[C@@H]1CC[NH+](CCC(=O)Nc2ccc(F)cc2)C1 ZINC000174960864 426271344 /nfs/dbraw/zinc/27/13/44/426271344.db2.gz WQLNJJMHJHBXGL-HNNXBMFYSA-N 2 0 321.440 2.818 20 0 DFADRP CC(C)CC[C@H]1CCC[N@@H+]1CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000135307000 426213190 /nfs/dbraw/zinc/21/31/90/426213190.db2.gz YXYWZCHJFIOAGA-QGZVFWFLSA-N 2 0 321.509 2.630 20 0 DFADRP C[C@H]([NH2+]CCc1ccccn1)c1cccc(OCC[NH+](C)C)c1 ZINC000151405780 426294713 /nfs/dbraw/zinc/29/47/13/426294713.db2.gz OJRFNCVEFPHQJI-INIZCTEOSA-N 2 0 313.445 2.915 20 0 DFADRP CC1(C)C[C@H]([NH2+]Cc2cccnc2-n2ccnc2)C(C)(C)O1 ZINC000151535430 426300665 /nfs/dbraw/zinc/30/06/65/426300665.db2.gz UMLCHCUEYJXSQS-AWEZNQCLSA-N 2 0 300.406 2.703 20 0 DFADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]CCCN(C)C(=O)OC(C)(C)C ZINC000120258779 426308393 /nfs/dbraw/zinc/30/83/93/426308393.db2.gz RLYXYXLLTWIUJL-RBSFLKMASA-N 2 0 313.486 2.562 20 0 DFADRP CC(C)Oc1ccc([C@H](C)[NH2+]CC2CC[NH+](CCO)CC2)cc1 ZINC000151855292 426315756 /nfs/dbraw/zinc/31/57/56/426315756.db2.gz RVBIVGUOKWLZRQ-INIZCTEOSA-N 2 0 320.477 2.829 20 0 DFADRP CCOc1c(CN(C)C[C@H]2CC[N@H+](C)C2)c(C)nn1CC(C)C ZINC000120996077 426319482 /nfs/dbraw/zinc/31/94/82/426319482.db2.gz GZVZNGGIOANMMW-INIZCTEOSA-N 2 0 322.497 2.630 20 0 DFADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1NCCC[NH+](C)Cc1ccccc1 ZINC000121233488 426327436 /nfs/dbraw/zinc/32/74/36/426327436.db2.gz QNYGDPVGWWAIBM-AOIWGVFYSA-N 2 0 303.494 2.827 20 0 DFADRP C[C@@H](C(=O)N1CCC[C@@H]1C[NH+]1CCCCC1)[NH+]1CCCCCC1 ZINC000175953476 426340591 /nfs/dbraw/zinc/34/05/91/426340591.db2.gz WHMSGYCRTCZOGF-ZWKOTPCHSA-N 2 0 321.509 2.728 20 0 DFADRP C[C@H]([NH2+]Cc1ccnc(OCC[NH+](C)C)c1)c1ccsc1 ZINC000090937444 426334395 /nfs/dbraw/zinc/33/43/95/426334395.db2.gz NQPPSGHUOUXBPU-ZDUSSCGKSA-N 2 0 305.447 2.934 20 0 DFADRP C[C@H]([NH2+]Cc1ccnc(OCC[NH+](C)C)c1)c1cccs1 ZINC000090937317 426334437 /nfs/dbraw/zinc/33/44/37/426334437.db2.gz VUWDNIZGOYAGML-ZDUSSCGKSA-N 2 0 305.447 2.934 20 0 DFADRP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@H]2CCCc3ccccc32)CC1 ZINC000121347918 426336066 /nfs/dbraw/zinc/33/60/66/426336066.db2.gz ILPMXIXIWLOVFI-XLIONFOSSA-N 2 0 315.505 2.927 20 0 DFADRP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@@H](C)c2cccc(C)c2)CC1 ZINC000121381591 426338765 /nfs/dbraw/zinc/33/87/65/426338765.db2.gz WMVNWUHDNCKSIP-MSOLQXFVSA-N 2 0 303.494 2.919 20 0 DFADRP C[NH+](C)C[C@@H]1CCN(Cc2ccnc(-c3ccc(F)cc3)n2)C1 ZINC000153672330 426399451 /nfs/dbraw/zinc/39/94/51/426399451.db2.gz QVOOAOWZRHRIHQ-AWEZNQCLSA-N 2 0 314.408 2.666 20 0 DFADRP Cc1ccccc1C1(C[NH2+][C@H]2CC[N@@H+](C)C[C@@H]2C)CCOCC1 ZINC000152412665 426343520 /nfs/dbraw/zinc/34/35/20/426343520.db2.gz QGDMOPOFAITONE-HKUYNNGSSA-N 2 0 316.489 2.973 20 0 DFADRP CC[N@@H+]1CC[C@@H]([NH2+]C[C@@H]2CCN(c3ccc(F)cc3)C2)[C@H](C)C1 ZINC000152778831 426354165 /nfs/dbraw/zinc/35/41/65/426354165.db2.gz VCEKSQYOAKTGFP-JTDSTZFVSA-N 2 0 319.468 2.972 20 0 DFADRP C[C@@H]([NH2+][C@@H](C)[C@@H]1CCCO1)c1ccc(OCC[NH+](C)C)cc1 ZINC000152845699 426357789 /nfs/dbraw/zinc/35/77/89/426357789.db2.gz BIAXOSAJVPJZME-VKJFTORMSA-N 2 0 306.450 2.845 20 0 DFADRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@@H](C)c1ccccc1N(C)C ZINC000093946827 426359548 /nfs/dbraw/zinc/35/95/48/426359548.db2.gz VRUMOYJUZJYGME-JKSUJKDBSA-N 2 0 307.482 2.760 20 0 DFADRP COCC[N@H+](C)CCCC1CC[NH+](CCc2ccncc2)CC1 ZINC000122139000 426360274 /nfs/dbraw/zinc/36/02/74/426360274.db2.gz DBXLFMRWFNELIZ-UHFFFAOYSA-N 2 0 319.493 2.695 20 0 DFADRP Cc1ccnc(N2CCN(c3cc(C)nc(C4CC4)n3)CC2)c1 ZINC000153052501 426368652 /nfs/dbraw/zinc/36/86/52/426368652.db2.gz GLEHDLIXDDLPOM-UHFFFAOYSA-N 2 0 309.417 2.692 20 0 DFADRP CC[C@@H]([NH2+]Cc1ccccc1OCC[NH+](C)C)[C@@H]1CCOC1 ZINC000122376280 426372899 /nfs/dbraw/zinc/37/28/99/426372899.db2.gz KPVDHOQMYSZBGG-IAGOWNOFSA-N 2 0 306.450 2.532 20 0 DFADRP CC(C)c1ccc(CC[NH2+]C[C@@H](C)CN2CC[NH+](C)CC2)cc1 ZINC000122487647 426378732 /nfs/dbraw/zinc/37/87/32/426378732.db2.gz KIRGBRXOCDFCBW-GOSISDBHSA-N 2 0 317.521 2.826 20 0 DFADRP C[C@@H]1C[C@@H](NCCC[NH+]2CCc3ccccc3C2)CC[N@@H+]1C ZINC000122759093 426392690 /nfs/dbraw/zinc/39/26/90/426392690.db2.gz GGOASSOBZMNHJR-APWZRJJASA-N 3 0 301.478 2.507 20 0 DFADRP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]Cc1cccc(C[NH+]2CCCC2)c1 ZINC000123031267 426410940 /nfs/dbraw/zinc/41/09/40/426410940.db2.gz OSNACBRMAHPODI-APWZRJJASA-N 3 0 301.478 2.712 20 0 DFADRP CC(C)[C@H](C(=O)N1CCC(CCC[NH+]2CCCC2)CC1)[NH+](C)C ZINC000154128920 426426208 /nfs/dbraw/zinc/42/62/08/426426208.db2.gz VVAFHRYXJOCZCM-GOSISDBHSA-N 2 0 323.525 2.687 20 0 DFADRP C[C@H]([NH2+]CCCC[NH+]1C[C@H](C)C[C@@H](C)C1)C(C)(C)n1cncn1 ZINC000340469555 268979399 /nfs/dbraw/zinc/97/93/99/268979399.db2.gz KQPQZFXFOMWJNX-ZACQAIPSSA-N 2 0 321.513 2.749 20 0 DFADRP CCc1nc(C)c([C@@H](C)[NH2+]CCCN2CC[NH+](CC)CC2)s1 ZINC000154223074 426430036 /nfs/dbraw/zinc/43/00/36/426430036.db2.gz DCKBDCINOXJIAH-CQSZACIVSA-N 2 0 324.538 2.692 20 0 DFADRP CC[C@H]([NH2+]CCCN1CC[NH+](CC)CC1)c1cccc(OC)c1 ZINC000154239619 426431630 /nfs/dbraw/zinc/43/16/30/426431630.db2.gz MTSXNSPNJCGDKN-IBGZPJMESA-N 2 0 319.493 2.764 20 0 DFADRP CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)Nc2cccc(C[NH+](C)C)c2)C1 ZINC000177029366 426436172 /nfs/dbraw/zinc/43/61/72/426436172.db2.gz VAUCDQIUWGMREL-PBHICJAKSA-N 2 0 318.465 2.598 20 0 DFADRP CCCC[C@H]([NH3+])C(=O)N1CCC[C@@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000154549276 426445011 /nfs/dbraw/zinc/44/50/11/426445011.db2.gz KTPAUOODHBDRTG-ULQDDVLXSA-N 2 0 309.498 2.617 20 0 DFADRP CS[C@@H]1CN(c2cc[nH+]c3cc(F)ccc32)C[C@@H]1[NH+](C)C ZINC000340739633 269006256 /nfs/dbraw/zinc/00/62/56/269006256.db2.gz GYOQTQBWBYQOFL-JKSUJKDBSA-N 2 0 305.422 2.856 20 0 DFADRP C[C@H]([NH2+]CCCN1CC[NH+](Cc2ccccc2)CC1)C1CC1 ZINC000177209616 426454366 /nfs/dbraw/zinc/45/43/66/426454366.db2.gz CLQXJNFMSXKBPU-KRWDZBQOSA-N 2 0 301.478 2.582 20 0 DFADRP C[NH+]1CCC(C[NH2+]C[C@@H]2CC=CCC2)(N2CCCCC2)CC1 ZINC000123835032 426455774 /nfs/dbraw/zinc/45/57/74/426455774.db2.gz SODLRKSVCXSCRY-GOSISDBHSA-N 2 0 305.510 2.883 20 0 DFADRP C[C@H]([NH2+]Cc1ccnc(N2CC[NH+](C)CC2)c1)C1CCCCC1 ZINC000177222765 426456280 /nfs/dbraw/zinc/45/62/80/426456280.db2.gz ZONORUYMNKUQHO-INIZCTEOSA-N 2 0 316.493 2.892 20 0 DFADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]CCc2ccccc2O)[C@H](C)C1 ZINC000154944925 426460038 /nfs/dbraw/zinc/46/00/38/426460038.db2.gz WUSTUDCSMSBOFL-AEFFLSMTSA-N 2 0 320.477 2.661 20 0 DFADRP CC[N@H+](Cc1ccc(C(=O)N[C@@](C)(C[NH3+])C2CC2)cc1)C1CC1 ZINC000154938821 426459440 /nfs/dbraw/zinc/45/94/40/426459440.db2.gz CUQLICKVVWAIGW-IBGZPJMESA-N 2 0 315.461 2.528 20 0 DFADRP CC[N@H+](C)Cc1cccc(C[NH2+][C@H]2CC[NH+](CC)C[C@H]2C)c1 ZINC000123921270 426461458 /nfs/dbraw/zinc/46/14/58/426461458.db2.gz CSWCMFWKFPAKHS-APWZRJJASA-N 3 0 303.494 2.958 20 0 DFADRP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@@H](C)c2cccc(OC)c2)CC1 ZINC000177295008 426463929 /nfs/dbraw/zinc/46/39/29/426463929.db2.gz MJEKMJRDEBTZEY-SJORKVTESA-N 2 0 319.493 2.619 20 0 DFADRP CC(C)Oc1cccc(C[NH2+][C@@H](C)CCN2CCOCC2)c1 ZINC000124208979 426475150 /nfs/dbraw/zinc/47/51/50/426475150.db2.gz RXMHBAPSIROJLB-INIZCTEOSA-N 2 0 306.450 2.674 20 0 DFADRP CC[NH+](CC)Cc1cccc(C[NH2+][C@@H]2CCN(C(C)C)C2=O)c1 ZINC000177430365 426478228 /nfs/dbraw/zinc/47/82/28/426478228.db2.gz RFNYPGPRZUYNJS-GOSISDBHSA-N 2 0 317.477 2.627 20 0 DFADRP CC[NH+](CC)CCC[C@H](C)NC(=O)[C@@H](C)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000101650209 426485718 /nfs/dbraw/zinc/48/57/18/426485718.db2.gz QVSXJFQPMQSJNB-MWDXBVQZSA-N 2 0 311.514 2.874 20 0 DFADRP Cc1cc(C[NH+]2CCC(CC[NH+]3C[C@@H](C)O[C@H](C)C3)CC2)on1 ZINC000177487692 426488801 /nfs/dbraw/zinc/48/88/01/426488801.db2.gz LYVQTHZPJRVLHQ-HZPDHXFCSA-N 2 0 321.465 2.694 20 0 DFADRP CC[NH+]1CCN(CCC[NH2+][C@H](c2cccnc2)C2CCC2)CC1 ZINC000280147857 426506910 /nfs/dbraw/zinc/50/69/10/426506910.db2.gz ADNGTTHMFGCOAM-IBGZPJMESA-N 2 0 316.493 2.540 20 0 DFADRP CC[NH+]1CCC(N[C@@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000272368574 426508589 /nfs/dbraw/zinc/50/85/89/426508589.db2.gz UIUYJMRREDYNDA-PKOBYXMFSA-N 2 0 315.505 2.971 20 0 DFADRP Cn1cc(CC[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)cn1 ZINC000272388874 426512772 /nfs/dbraw/zinc/51/27/72/426512772.db2.gz GTBVSUABGZLFSS-ACDBMABISA-N 2 0 324.472 2.748 20 0 DFADRP CC(C)n1ncc2cc(C[NH2+]CC3(C)CC[NH+](C)CC3)cnc21 ZINC000272400709 426515108 /nfs/dbraw/zinc/51/51/08/426515108.db2.gz AWLQMWLOKVZZMX-UHFFFAOYSA-N 2 0 315.465 2.834 20 0 DFADRP C[N@@H+]1CCCN(CCC[NH2+][C@@H]2CCCNc3ccccc32)CC1 ZINC000186406678 426520210 /nfs/dbraw/zinc/52/02/10/426520210.db2.gz OLIGOXXYXWADSQ-LJQANCHMSA-N 2 0 316.493 2.551 20 0 DFADRP C[C@@H]1C[C@H]([NH2+]CCc2cn(C)c3cc(F)ccc23)CC[N@@H+]1C ZINC000186413338 426522573 /nfs/dbraw/zinc/52/25/73/426522573.db2.gz CAKBCCGWOXGRBP-CZUORRHYSA-N 2 0 303.425 2.932 20 0 DFADRP CC(C)C[C@H](CNC(=O)[C@H]1CCC[NH2+]1)[NH2+][C@H](C)c1ccccc1 ZINC000272462498 426532010 /nfs/dbraw/zinc/53/20/10/426532010.db2.gz OQFRNASZTRIBCX-KBAYOESNSA-N 2 0 317.477 2.620 20 0 DFADRP CC[NH+]1CCN(CCCC[NH2+][C@@H](C)c2sc(C)nc2C)CC1 ZINC000178005138 426554977 /nfs/dbraw/zinc/55/49/77/426554977.db2.gz TYRPCBRRHNCZPP-AWEZNQCLSA-N 2 0 324.538 2.828 20 0 DFADRP C[C@@H](CCC1CC1)[NH2+]Cc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC000186499176 426539495 /nfs/dbraw/zinc/53/94/95/426539495.db2.gz NNLAYFFXDGKXME-KXBFYZLASA-N 2 0 302.462 2.922 20 0 DFADRP COc1ccc(OC)c(CC[NH2+][C@H]2C[C@@H](C)[N@H+](C)C[C@H]2C)c1 ZINC000177956000 426545703 /nfs/dbraw/zinc/54/57/03/426545703.db2.gz DHEFZULVKBHMQS-CPUCHLNUSA-N 2 0 306.450 2.565 20 0 DFADRP C[C@H](CCc1ccccc1F)[NH2+][C@@H](C)CCN1CC[NH+](C)CC1 ZINC000186574777 426555399 /nfs/dbraw/zinc/55/53/99/426555399.db2.gz JPIJGSRYIHPNOQ-SJORKVTESA-N 2 0 321.484 2.762 20 0 DFADRP C[C@H]1CN(Cc2ccccc2)C[C@H]1[NH2+]CC1(C)CC[NH+](C)CC1 ZINC000272525432 426549816 /nfs/dbraw/zinc/54/98/16/426549816.db2.gz JMAJDHTUXIIRPR-PKOBYXMFSA-N 2 0 315.505 2.828 20 0 DFADRP COc1ccc([C@H](C)[NH2+][C@H](C)CCN2CC[NH+](C)CC2)cc1F ZINC000186569768 426553168 /nfs/dbraw/zinc/55/31/68/426553168.db2.gz MKSFPGSCXWYNCN-CABCVRRESA-N 2 0 323.456 2.511 20 0 DFADRP Cc1ccc(C)c2c1CCC[C@H]2[NH2+][C@H](C)CN1CC[NH+](C)CC1 ZINC000186157569 426489806 /nfs/dbraw/zinc/48/98/06/426489806.db2.gz QLWRRFVHSNVSQA-IEBWSBKVSA-N 2 0 315.505 2.906 20 0 DFADRP CC[NH+]1CCN([C@H](C)C[NH2+][C@H](C)c2csc(C(C)C)n2)CC1 ZINC000186245377 426496436 /nfs/dbraw/zinc/49/64/36/426496436.db2.gz YCZVFOBTRPGEEC-HUUCEWRRSA-N 2 0 324.538 2.943 20 0 DFADRP CC[NH+]1CCN(CCC[NH2+][C@H](C)c2csc(C(C)C)n2)CC1 ZINC000186242956 426496904 /nfs/dbraw/zinc/49/69/04/426496904.db2.gz QUVXUUIZPRFPGJ-OAHLLOKOSA-N 2 0 324.538 2.945 20 0 DFADRP CCC[NH+]1CCC(C[NH2+][C@@H]2C[C@@H](OCC)C23CCOCC3)CC1 ZINC000186319989 426503567 /nfs/dbraw/zinc/50/35/67/426503567.db2.gz HPWXGIJOARWQOT-QZTJIDSGSA-N 2 0 324.509 2.672 20 0 DFADRP C[C@@H]1C[C@@H](N[C@H](c2cnn(C)c2)c2ccc(F)cc2)CC[N@@H+]1C ZINC000186638142 426568685 /nfs/dbraw/zinc/56/86/85/426568685.db2.gz JNVPVZDXJPXBLM-BVGQSLNGSA-N 2 0 316.424 2.721 20 0 DFADRP C[C@H]1C[C@@H](N[C@H](c2cnn(C)c2)c2ccc(F)cc2)CC[N@@H+]1C ZINC000186638158 426569157 /nfs/dbraw/zinc/56/91/57/426569157.db2.gz JNVPVZDXJPXBLM-KKXDTOCCSA-N 2 0 316.424 2.721 20 0 DFADRP Cc1nn(C)cc1[C@@H](C)[NH2+]Cc1cccc(OCC[NH+](C)C)c1 ZINC000178173680 426581325 /nfs/dbraw/zinc/58/13/25/426581325.db2.gz PNDCEFACNBSIQU-CQSZACIVSA-N 2 0 316.449 2.520 20 0 DFADRP C[C@H]1C[C@@H]([NH2+]CCCN2CCC[N@H+](C)CC2)c2ccccc21 ZINC000289102569 426584101 /nfs/dbraw/zinc/58/41/01/426584101.db2.gz CFYAMWIOEXRXSI-QFBILLFUSA-N 2 0 301.478 2.852 20 0 DFADRP CCC(C)(C)[NH2+][C@@H](C)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000273198751 426612615 /nfs/dbraw/zinc/61/26/15/426612615.db2.gz IIAOWAKCNOFEGH-RDJZCZTQSA-N 2 0 317.477 2.544 20 0 DFADRP C[C@H](O)c1ncc(CNCCC[N@H+](C)Cc2ccccc2)s1 ZINC000289253613 426613484 /nfs/dbraw/zinc/61/34/84/426613484.db2.gz MAVPZJBXCOCPIE-AWEZNQCLSA-N 2 0 319.474 2.808 20 0 DFADRP C[N@H+](C[C@H](O)Cc1ccc2ccccc2c1)C[C@@H]1CC[NH+](C)C1 ZINC000280391461 426563792 /nfs/dbraw/zinc/56/37/92/426563792.db2.gz WWNDNULQZZOKMX-YLJYHZDGSA-N 2 0 312.457 2.627 20 0 DFADRP C[N@H+](Cc1cc(Cl)c2c(c1)OCCO2)[C@H]1CCC[NH2+]CC1 ZINC000231461953 426651101 /nfs/dbraw/zinc/65/11/01/426651101.db2.gz IWUIFQOMAFHFJU-ZDUSSCGKSA-N 2 0 310.825 2.685 20 0 DFADRP C[C@@H]([NH2+]CC1(O)CC[NH+](C)CC1)[C@@H](C)c1ccc(Cl)cc1 ZINC000280784977 426654655 /nfs/dbraw/zinc/65/46/55/426654655.db2.gz FZSBITXEQFNGGH-ZIAGYGMSSA-N 2 0 310.869 2.878 20 0 DFADRP Cc1ccncc1C[NH2+]CCc1ccc(OCC[NH+](C)C)cc1 ZINC000280815180 426662040 /nfs/dbraw/zinc/66/20/40/426662040.db2.gz IKIFTIYFUYAJJX-UHFFFAOYSA-N 2 0 313.445 2.663 20 0 DFADRP CC(C)[NH+]1CCC([NH2+]C2CCN(c3ccccn3)CC2)CC1 ZINC000236599172 426665197 /nfs/dbraw/zinc/66/51/97/426665197.db2.gz UJRJWTKJNHVQFA-UHFFFAOYSA-N 2 0 302.466 2.513 20 0 DFADRP CC[C@@H]1[NH2+]CC[C@H]1C(=O)Nc1ccc(CC[NH+]2CCCC2)cc1 ZINC000289469440 426666494 /nfs/dbraw/zinc/66/64/94/426666494.db2.gz ASTRNBLGSKLLOQ-MSOLQXFVSA-N 2 0 315.461 2.652 20 0 DFADRP CCCN(C(=O)CCC[NH3+])[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000236744214 426683245 /nfs/dbraw/zinc/68/32/45/426683245.db2.gz JQOHURIYJSZMCQ-GOSISDBHSA-N 2 0 317.477 2.629 20 0 DFADRP Cc1ccccc1C[NH+]1CCN(CC[C@H]2CCC[N@H+]2C)CC1 ZINC000178440224 426628953 /nfs/dbraw/zinc/62/89/53/426628953.db2.gz VMPXZEKAEDTRFI-LJQANCHMSA-N 2 0 301.478 2.597 20 0 DFADRP C[NH2+]CCCC(=O)NC[C@@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC000237176731 426690007 /nfs/dbraw/zinc/69/00/07/426690007.db2.gz SIQNBSLWJFYROL-INIZCTEOSA-N 2 0 323.868 2.593 20 0 DFADRP C[C@H](C[NH2+][C@H](C)c1ccc2ccccc2n1)N1CC[NH+](C)CC1 ZINC000178774480 426691315 /nfs/dbraw/zinc/69/13/15/426691315.db2.gz BVRJXRNEVGSJNN-HZPDHXFCSA-N 2 0 312.461 2.521 20 0 DFADRP [NH3+]CCCCCCC(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000178828898 426703331 /nfs/dbraw/zinc/70/33/31/426703331.db2.gz ONCKIAUITNCTJH-UHFFFAOYSA-N 2 0 309.498 2.809 20 0 DFADRP CC[NH+](CC)[C@H](C(=O)N1CCC([C@H](C)[NH3+])CC1)c1ccccc1 ZINC000178824714 426703887 /nfs/dbraw/zinc/70/38/87/426703887.db2.gz RXMNCZXFVKWHQY-YJBOKZPZSA-N 2 0 317.477 2.655 20 0 DFADRP CSC[C@@H](O)C[NH+]1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000187944082 426709203 /nfs/dbraw/zinc/70/92/03/426709203.db2.gz NFOCMYOIIGUPGG-WBVHZDCISA-N 2 0 314.539 2.687 20 0 DFADRP C[NH+]1CCC(O)(C[NH2+]Cc2ccc(-c3ccccc3F)o2)CC1 ZINC000265919733 426710563 /nfs/dbraw/zinc/71/05/63/426710563.db2.gz ZUEGHKMBSYRUTB-UHFFFAOYSA-N 2 0 318.392 2.632 20 0 DFADRP C[C@H]([NH2+]CCN1CC=CCC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000280950699 426692735 /nfs/dbraw/zinc/69/27/35/426692735.db2.gz JRKXKTANFHKBBB-ICSRJNTNSA-N 2 0 313.489 2.749 20 0 DFADRP CC[C@@H]([NH2+]C[C@@H](C)N1CC[NH+](CC)CC1)c1cccc(F)c1 ZINC000187770719 426693209 /nfs/dbraw/zinc/69/32/09/426693209.db2.gz YHPAVXKZFISPNV-CRAIPNDOSA-N 2 0 307.457 2.892 20 0 DFADRP C[C@]1(C(=O)NCC2([NH+]3CCCCC3)CCCCC2)CCC[NH2+]C1 ZINC000237544839 426694172 /nfs/dbraw/zinc/69/41/72/426694172.db2.gz PBKRXSJPWXLRCA-SFHVURJKSA-N 2 0 321.509 2.681 20 0 DFADRP COCCC[C@@H](C)[NH2+]Cc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC000178795078 426697792 /nfs/dbraw/zinc/69/77/92/426697792.db2.gz KUYWWCAZRUIQGA-MRXNPFEDSA-N 2 0 320.477 2.548 20 0 DFADRP C[C@@H](C[NH2+][C@H]1CCCc2c(Cl)cccc21)N1CC[NH+](C)CC1 ZINC000273620614 426698097 /nfs/dbraw/zinc/69/80/97/426698097.db2.gz YWJBRAQMHNMPPH-KSSFIOAISA-N 2 0 321.896 2.943 20 0 DFADRP c1cc2cc(C[N@H+]3CC[C@@H](CN4CCOCC4)C3)ccc2o1 ZINC000290142452 426701231 /nfs/dbraw/zinc/70/12/31/426701231.db2.gz VVESJRBAGABADG-INIZCTEOSA-N 2 0 300.402 2.587 20 0 DFADRP c1cn(CC[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)cn1 ZINC000245737297 426766805 /nfs/dbraw/zinc/76/68/05/426766805.db2.gz QZNVZVAGKPDTTM-LDLYASANSA-N 2 0 310.445 2.668 20 0 DFADRP Cc1nn(C)cc1C[NH2+][C@@H]1c2ccccc2CC[C@H]1n1ccnc1 ZINC000290464690 426770919 /nfs/dbraw/zinc/77/09/19/426770919.db2.gz NFISHCROZVUALO-RTBURBONSA-N 2 0 321.428 2.943 20 0 DFADRP CC(C)(C)c1csc([C@H]2CN(CC3CC[NH2+]CC3)CCO2)n1 ZINC000178971437 426727549 /nfs/dbraw/zinc/72/75/49/426727549.db2.gz KOKGKPCPGUCHCT-CQSZACIVSA-N 2 0 323.506 2.814 20 0 DFADRP CCn1nc(CN2CCC[C@H]3C[N@H+](C)CC[C@H]32)c2ccccc21 ZINC000290309997 426739335 /nfs/dbraw/zinc/73/93/35/426739335.db2.gz CAIGHXXPRHSWET-MAUKXSAKSA-N 2 0 312.461 2.972 20 0 DFADRP C[C@@H]1CCC[C@H](C[NH+]2CCN(C[C@H]3CCCC[N@@H+]3C)CC2)C1 ZINC000245643154 426758656 /nfs/dbraw/zinc/75/86/56/426758656.db2.gz ZGAPTDHKWBDIKK-CEXWTWQISA-N 2 0 307.526 2.915 20 0 DFADRP FC(F)COCCN1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000189098270 426818034 /nfs/dbraw/zinc/81/80/34/426818034.db2.gz BGYYEHZJIUXKCR-HNNXBMFYSA-N 2 0 304.425 2.856 20 0 DFADRP CC(C)C[N@@H+]1CCC[C@H](CNC(=O)[C@H](C)[NH+]2[C@H](C)CC[C@@H]2C)C1 ZINC000246375434 426824891 /nfs/dbraw/zinc/82/48/91/426824891.db2.gz HWPCHTKNVOMSSS-XWTMOSNGSA-N 2 0 323.525 2.732 20 0 DFADRP CCC[N@H+](CC)Cc1ccc(C(=O)N(C)CC[NH+](C)C)cc1 ZINC000267104887 426825616 /nfs/dbraw/zinc/82/56/16/426825616.db2.gz LUUHEBHSFHIWIO-UHFFFAOYSA-N 2 0 305.466 2.552 20 0 DFADRP C([NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1)[C@H]1COC2(CCCCCC2)O1 ZINC000180007538 426832153 /nfs/dbraw/zinc/83/21/53/426832153.db2.gz DFOVEILDPBBDKX-BBWFWOEESA-N 2 0 308.466 2.669 20 0 DFADRP CC[NH+]1CCN(CCC[NH2+]Cc2ccc(Cl)cc2F)CC1 ZINC000189251160 426832595 /nfs/dbraw/zinc/83/25/95/426832595.db2.gz IXIFLOAXFIWMOA-UHFFFAOYSA-N 2 0 313.848 2.596 20 0 DFADRP COc1cc(C[N@@H+]2CCC[C@H]2Cn2ccnc2C)ccc1O ZINC000180091010 426835005 /nfs/dbraw/zinc/83/50/05/426835005.db2.gz IUCAZLNCMSJTCF-HNNXBMFYSA-N 2 0 301.390 2.570 20 0 DFADRP COc1ccc([C@@H](C)[NH2+]CC2CC[NH+](C3CC3)CC2)cc1O ZINC000290772373 426835654 /nfs/dbraw/zinc/83/56/54/426835654.db2.gz SISSIZAVQOUJKX-CYBMUJFWSA-N 2 0 304.434 2.926 20 0 DFADRP O=C(NCCCCC[NH+]1CCCCC1)[C@@H]1C[C@@H]2CCCC[C@H]2[NH2+]1 ZINC000246551295 426845253 /nfs/dbraw/zinc/84/52/53/426845253.db2.gz TVQLYFJRKLEXFU-KSZLIROESA-N 2 0 321.509 2.680 20 0 DFADRP C[NH2+]C[C@@H](C)C(=O)Nc1ccc(C[N@@H+]2CCCC[C@H]2C)cc1 ZINC000246553528 426845873 /nfs/dbraw/zinc/84/58/73/426845873.db2.gz UAWUPDUFOXXLJP-HUUCEWRRSA-N 2 0 303.450 2.855 20 0 DFADRP C[N@@H+]1CCN(CC[NH2+][C@H](c2ccc(F)cc2)C2CC2)CC1(C)C ZINC000282215896 426856139 /nfs/dbraw/zinc/85/61/39/426856139.db2.gz HPNNCBNUXPLLKR-SFHVURJKSA-N 2 0 319.468 2.892 20 0 DFADRP Cc1nccn1CCCC[N@@H+]1CC[C@H](C(=O)OC(C)(C)C)C1 ZINC000179446892 426790864 /nfs/dbraw/zinc/79/08/64/426790864.db2.gz BCKCUABBEVMPBF-HNNXBMFYSA-N 2 0 307.438 2.635 20 0 DFADRP C[NH+](C)CCC1CC[NH+](CCOCC(F)(F)C(F)F)CC1 ZINC000188864753 426795860 /nfs/dbraw/zinc/79/58/60/426795860.db2.gz GMJKBMCZTSDFBB-UHFFFAOYSA-N 2 0 314.367 2.567 20 0 DFADRP [NH3+]C[C@@H]1CCC[C@H]1NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000309639297 426914765 /nfs/dbraw/zinc/91/47/65/426914765.db2.gz BBTSYJRKCFKUAA-GBESFXJTSA-N 2 0 301.478 2.616 20 0 DFADRP C[C@@H]([NH2+]CCN1CC[N@H+](C)C(C)(C)C1)[C@H](C)c1ccccc1 ZINC000282237957 426859791 /nfs/dbraw/zinc/85/97/91/426859791.db2.gz IYBCASZMQNVFGD-DLBZAZTESA-N 2 0 303.494 2.794 20 0 DFADRP C[C@@H]1CCCC[N@@H+]1CCCC[NH2+]Cc1c[nH]c2nccnc12 ZINC000290880769 426862022 /nfs/dbraw/zinc/86/20/22/426862022.db2.gz LZUHLAMIIKGOJN-CQSZACIVSA-N 2 0 301.438 2.702 20 0 DFADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]C[C@H]1CCN(c2ccccc2)C1 ZINC000246809971 426867989 /nfs/dbraw/zinc/86/79/89/426867989.db2.gz AOGDSUXIGWAICU-MTNOOBJLSA-N 2 0 301.478 2.831 20 0 DFADRP CC[N@@H+]1CC[C@H]([NH2+][C@@H]2CCN(c3ccccc3OC)C2)[C@@H](C)C1 ZINC000246870356 426875754 /nfs/dbraw/zinc/87/57/54/426875754.db2.gz CZBAVRJXOMXGON-BBWFWOEESA-N 2 0 317.477 2.594 20 0 DFADRP CN(CC[N@H+](C)[C@H]1C[C@H]1c1ccccc1)C1CC[NH+](C)CC1 ZINC000291103448 426876958 /nfs/dbraw/zinc/87/69/58/426876958.db2.gz JPLQNVSGBBOWPD-OALUTQOASA-N 2 0 301.478 2.500 20 0 DFADRP C[C@@H](NCC1([NH+](C)C)CCC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000275626342 426883630 /nfs/dbraw/zinc/88/36/30/426883630.db2.gz AMDSKGAELZNUAF-MJGOQNOKSA-N 2 0 315.505 2.971 20 0 DFADRP Cn1cc(CN2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)c(C(C)(C)C)n1 ZINC000180751738 426884239 /nfs/dbraw/zinc/88/42/39/426884239.db2.gz SHFWCDZBKKBSNI-ZBFHGGJFSA-N 2 0 304.482 2.634 20 0 DFADRP CCN(CC[NH2+][C@@H]1C[C@H](C)[N@H+](C)C[C@H]1C)C(=O)OC(C)(C)C ZINC000246982228 426885598 /nfs/dbraw/zinc/88/55/98/426885598.db2.gz KCJPFXZQVVQVGK-QLFBSQMISA-N 2 0 313.486 2.562 20 0 DFADRP Cc1ncccc1C[NH+]1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000180795645 426887861 /nfs/dbraw/zinc/88/78/61/426887861.db2.gz LECGELDKXLEYDB-UHFFFAOYSA-N 2 0 317.477 2.714 20 0 DFADRP C[C@](O)(C[NH2+]C1CC[NH+](C2CCCC2)CC1)c1ccsc1 ZINC000305192844 426894012 /nfs/dbraw/zinc/89/40/12/426894012.db2.gz YPXXRSMMCGRNCV-KRWDZBQOSA-N 2 0 308.491 2.952 20 0 DFADRP CC[N@@H+]1CC[C@H](NC[C@H](c2ccc(C)cc2)[NH+](C)C)[C@@H](C)C1 ZINC000247062355 426897931 /nfs/dbraw/zinc/89/79/31/426897931.db2.gz PQIPJPJESQSSIA-YTQUADARSA-N 2 0 303.494 2.918 20 0 DFADRP Clc1cc(CN[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)cc2c1OCCO2 ZINC000337648117 426899894 /nfs/dbraw/zinc/89/98/94/426899894.db2.gz YZQZTBOIUCNSHE-ZIAGYGMSSA-N 2 0 322.836 2.828 20 0 DFADRP CC[NH+]1CCN([C@H]2CC[N@H+](C[C@H](C)c3ccc(F)cc3)C2)CC1 ZINC000275710856 426903070 /nfs/dbraw/zinc/90/30/70/426903070.db2.gz MCJIDUCRCRHLJV-LPHOPBHVSA-N 2 0 319.468 2.641 20 0 DFADRP CCC[N@H+](CC)Cc1ccc(C(=O)N[C@H](C)CCC[NH3+])cc1 ZINC000295316656 426904069 /nfs/dbraw/zinc/90/40/69/426904069.db2.gz WLKPNIAHBPQKHK-OAHLLOKOSA-N 2 0 305.466 2.776 20 0 DFADRP CC[N@@H+]1CCC[C@H](NC2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000337659330 426904143 /nfs/dbraw/zinc/90/41/43/426904143.db2.gz POUXZNINPXDCLH-FQEVSTJZSA-N 2 0 315.505 2.767 20 0 DFADRP Cc1ccc([C@H](C)[NH2+]CCN2CC[N@H+](C)C(C)(C)C2)c(C)c1 ZINC000282424030 426908851 /nfs/dbraw/zinc/90/88/51/426908851.db2.gz SUOCPVXOACBRRI-KRWDZBQOSA-N 2 0 303.494 2.980 20 0 DFADRP C[C@@H](C[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1)N1CCc2ccccc2C1 ZINC000247174674 426910853 /nfs/dbraw/zinc/91/08/53/426910853.db2.gz YSFBCRQXCGFIOV-JTDSTZFVSA-N 2 0 301.478 2.506 20 0 DFADRP CC(C)N1C[C@H](C)[C@H]([NH2+][C@H]2CN(Cc3ccccc3)C[C@H]2C)C1 ZINC000181284594 426930896 /nfs/dbraw/zinc/93/08/96/426930896.db2.gz VMNHJJOMSFQNDZ-LCLWPZTBSA-N 2 0 315.505 2.825 20 0 DFADRP C[C@@H](C(=O)N1CCC[C@@H]([NH+]2CCCC2)CC1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000247451404 426939148 /nfs/dbraw/zinc/93/91/48/426939148.db2.gz ZDVVPEJALHRUHY-XWTMOSNGSA-N 2 0 321.509 2.725 20 0 DFADRP C[C@H]([NH3+])CCC(=O)Nc1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000248904378 427060152 /nfs/dbraw/zinc/06/01/52/427060152.db2.gz ZQZULLMBFGRZCN-GJZGRUSLSA-N 2 0 303.450 2.984 20 0 DFADRP C[C@H]1C[C@@H](NCc2cccc(OCC[NH+](C)C)c2)c2nccn21 ZINC000296054585 427060954 /nfs/dbraw/zinc/06/09/54/427060954.db2.gz RIVDXLIWPCKCHS-WMLDXEAASA-N 2 0 314.433 2.619 20 0 DFADRP C[C@H]([NH2+]CCOCC(F)F)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000276158733 426997050 /nfs/dbraw/zinc/99/70/50/426997050.db2.gz CYODOKXKDAISDP-GOEBONIOSA-N 2 0 312.404 2.768 20 0 DFADRP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1[NH2+]C[C@@H]1CCCO1 ZINC000276191449 427003625 /nfs/dbraw/zinc/00/36/25/427003625.db2.gz IHCQMYOMZRFFFG-NUJGCVRESA-N 2 0 302.462 2.912 20 0 DFADRP C[C@@H](C[NH2+][C@@H](C)[C@@H]1C[C@H]1c1ccccc1)CN1CCOCC1 ZINC000283394680 427007860 /nfs/dbraw/zinc/00/78/60/427007860.db2.gz PWIDXDVNEFCIPZ-CAMMJAKZSA-N 2 0 302.462 2.737 20 0 DFADRP C[C@@H]1C[C@H](NC[C@H](C2CC2)[NH+](C)Cc2ccccc2)CC[N@@H+]1C ZINC000248583921 427015200 /nfs/dbraw/zinc/01/52/00/427015200.db2.gz WXGHQJMIFOEYKC-NSISKUIASA-N 2 0 315.505 2.969 20 0 DFADRP C[C@@H]1CCCC[N@H+](CC(=O)NC[C@H](c2ccccc2)[NH+](C)C)C1 ZINC000248590524 427017530 /nfs/dbraw/zinc/01/75/30/427017530.db2.gz ZFGNFAVPTREZIK-SJLPKXTDSA-N 2 0 317.477 2.528 20 0 DFADRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+]Cc1ccc([C@@H]2C[C@@H]2C)o1 ZINC000248648536 427028287 /nfs/dbraw/zinc/02/82/87/427028287.db2.gz UTDMZBCDXWSUGC-ZMSDIMECSA-N 2 0 305.466 2.519 20 0 DFADRP CCC(CC)(CNC(=O)C1([NH3+])CCC1)[NH2+][C@H](C)c1ccccc1 ZINC000295989157 427037195 /nfs/dbraw/zinc/03/71/95/427037195.db2.gz KCFCONGJIKOEIZ-OAHLLOKOSA-N 2 0 317.477 2.894 20 0 DFADRP [NH3+]C1(C(=O)Nc2ccc(-c3ncc4n3CCCC4)cc2)CCC1 ZINC000296011750 427045393 /nfs/dbraw/zinc/04/53/93/427045393.db2.gz LRQJJGCOVMCARM-UHFFFAOYSA-N 2 0 310.401 2.706 20 0 DFADRP Cn1ccnc1C[C@H]1CCC[N@H+](CCCC(=O)OC(C)(C)C)C1 ZINC000182292901 427049075 /nfs/dbraw/zinc/04/90/75/427049075.db2.gz JABSRTQBKSCEBQ-OAHLLOKOSA-N 2 0 321.465 2.797 20 0 DFADRP CCC[N@@H+]1CC[C@H](C[NH2+][C@H]2CCc3c(cccc3OC)C2)C1 ZINC000248989135 427071994 /nfs/dbraw/zinc/07/19/94/427071994.db2.gz GWEUDVCNGZBADT-WBVHZDCISA-N 2 0 302.462 2.874 20 0 DFADRP CCC[NH+]1CCC([N@H+](C)C[C@H](O)CCc2ccccc2)CC1 ZINC000182438383 427075536 /nfs/dbraw/zinc/07/55/36/427075536.db2.gz NMGSGYXTPKBOSA-LJQANCHMSA-N 2 0 304.478 2.786 20 0 DFADRP O[C@@H]1CCC[C@@H]1[NH+]1CCC([NH2+][C@@H]2CCC[C@@H]2CCCF)CC1 ZINC000337986909 427076462 /nfs/dbraw/zinc/07/64/62/427076462.db2.gz CTKILOLUNAOOAP-NRSFXHEJSA-N 2 0 312.473 2.872 20 0 DFADRP CC[NH+](CC)Cc1ccc(C[NH2+]CC2(OC)CCOCC2)cc1 ZINC000276962409 427128823 /nfs/dbraw/zinc/12/88/23/427128823.db2.gz DVPTXUKZOCBUPK-UHFFFAOYSA-N 2 0 320.477 2.814 20 0 DFADRP C[NH+]1CCN(c2ncccc2C[NH2+][C@@H]2CC[C@H]2C2CCC2)CC1 ZINC000337992884 427079505 /nfs/dbraw/zinc/07/95/05/427079505.db2.gz GOXAFDXZCXWNDY-ZWKOTPCHSA-N 2 0 314.477 2.502 20 0 DFADRP CCO[C@@H]1C[C@H]([NH2+]CCC[N@@H+]2CCCC[C@H]2C)C12CCOCC2 ZINC000249035763 427080110 /nfs/dbraw/zinc/08/01/10/427080110.db2.gz TZUGRGSOKQNDJA-FGTMMUONSA-N 2 0 324.509 2.815 20 0 DFADRP COCCN1CC[C@@H]([NH2+][C@H](C)CCc2c(F)cccc2F)C1 ZINC000338000224 427084379 /nfs/dbraw/zinc/08/43/79/427084379.db2.gz VBSKXRJZQUEWML-ZIAGYGMSSA-N 2 0 312.404 2.596 20 0 DFADRP C[NH+](C)CCOc1cc(C[NH2+][C@@H]2CC[C@H]2C2CCC2)ccn1 ZINC000338004362 427086839 /nfs/dbraw/zinc/08/68/39/427086839.db2.gz YTWMWLYTNFLXGC-DLBZAZTESA-N 2 0 303.450 2.690 20 0 DFADRP C[C@H](CCCC[NH3+])NC(=O)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000292097322 427088033 /nfs/dbraw/zinc/08/80/33/427088033.db2.gz OAMDRMBQHIFCAX-AEFFLSMTSA-N 2 0 317.477 2.532 20 0 DFADRP Cc1ccccc1C[C@H]([NH2+]C[C@H](C)N1CC[NH+](C)CC1)C1CC1 ZINC000284081834 427129003 /nfs/dbraw/zinc/12/90/03/427129003.db2.gz BDBZLQQZKGILGN-PXNSSMCTSA-N 2 0 315.505 2.542 20 0 DFADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+][C@@H]1CCN(Cc2ccccc2)C1 ZINC000268701088 427092978 /nfs/dbraw/zinc/09/29/78/427092978.db2.gz FPJVMZIHNPHZHE-RWQQGDIJSA-N 2 0 301.478 2.579 20 0 DFADRP C[C@H]1CN(Cc2ccccc2)CC[C@H]1[NH2+]CCCn1cccn1 ZINC000268734649 427106023 /nfs/dbraw/zinc/10/60/23/427106023.db2.gz DBITURAZUVMRTR-PKOBYXMFSA-N 2 0 312.461 2.773 20 0 DFADRP C[C@H]([NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccc2c(c1)CCC(=O)N2 ZINC000268765806 427109259 /nfs/dbraw/zinc/10/92/59/427109259.db2.gz JCQFWHBJUZPDNR-RRQGHBQHSA-N 2 0 313.445 2.849 20 0 DFADRP O=C(CC[C@@H]1CCC[NH2+]1)Nc1ccc(CC[NH+]2CCCC2)cc1 ZINC000292157295 427111661 /nfs/dbraw/zinc/11/16/61/427111661.db2.gz UUKADYFNEPWGET-KRWDZBQOSA-N 2 0 315.461 2.796 20 0 DFADRP COCC[N@H+](C)CCC[NH2+][C@H](C)[C@@H](C)c1ccc(OC)cc1 ZINC000268790969 427114056 /nfs/dbraw/zinc/11/40/56/427114056.db2.gz CZPNLEROKAVXGQ-HZPDHXFCSA-N 2 0 308.466 2.745 20 0 DFADRP Cc1ncsc1CN(C)C[C@H]1CC[N@H+](CC2CCOCC2)C1 ZINC000190458336 427114138 /nfs/dbraw/zinc/11/41/38/427114138.db2.gz VPEOYAAIYHSJOO-MRXNPFEDSA-N 2 0 323.506 2.632 20 0 DFADRP C[C@H](C(=O)NCC(C)(C)[NH+]1CCC[C@@H](C)C1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000338048274 427114767 /nfs/dbraw/zinc/11/47/67/427114767.db2.gz ANRHQTBZQKXZOA-WCXIOVBPSA-N 2 0 323.525 2.874 20 0 DFADRP CNC(=O)C[C@@H](C)[NH2+]Cc1ccc(C[N@@H+]2CCCC[C@H]2C)cc1 ZINC000268798703 427119256 /nfs/dbraw/zinc/11/92/56/427119256.db2.gz GXHUBFXKPVSOQD-HZPDHXFCSA-N 2 0 317.477 2.675 20 0 DFADRP CC[NH+](CC)[C@H](CNC(=O)CC[C@@H]1CCC[NH2+]1)c1ccsc1 ZINC000292186226 427122865 /nfs/dbraw/zinc/12/28/65/427122865.db2.gz XDCITQQLLJWIDH-JKSUJKDBSA-N 2 0 323.506 2.779 20 0 DFADRP CNC(=O)C[C@H](C)[NH2+]Cc1ccccc1C[N@@H+]1CCCC[C@@H]1C ZINC000268813894 427123989 /nfs/dbraw/zinc/12/39/89/427123989.db2.gz LNQUYTSEPUQMLW-HOTGVXAUSA-N 2 0 317.477 2.675 20 0 DFADRP CNC(=O)C[C@H](C)[NH2+]Cc1ccccc1C[N@@H+]1CCCC[C@H]1C ZINC000268813901 427125361 /nfs/dbraw/zinc/12/53/61/427125361.db2.gz LNQUYTSEPUQMLW-JKSUJKDBSA-N 2 0 317.477 2.675 20 0 DFADRP C[C@H]1CCCC[N@@H+]1CCCCNC(=O)c1ccc2c[nH+]cn2c1 ZINC000284108211 427133827 /nfs/dbraw/zinc/13/38/27/427133827.db2.gz SPCFEYDJNYEDGY-HNNXBMFYSA-N 2 0 314.433 2.719 20 0 DFADRP CC(C)c1ccc([C@@H](C)[NH2+]CCCN2CCC[C@@H]2C(N)=O)cc1 ZINC000268955224 427142009 /nfs/dbraw/zinc/14/20/09/427142009.db2.gz WEPKSWPCMLTZQR-CRAIPNDOSA-N 2 0 317.477 2.800 20 0 DFADRP C[N@@H+]1CCCN(CCC[NH2+][C@@H]2CC(C)(C)Cc3occc32)CC1 ZINC000128330563 271033967 /nfs/dbraw/zinc/03/39/67/271033967.db2.gz KKYHHRNIUYSVBG-QGZVFWFLSA-N 2 0 319.493 2.910 20 0 DFADRP Cc1cnc(CNCc2cccc(CN3CCOCC3)c2)s1 ZINC000296371122 427161924 /nfs/dbraw/zinc/16/19/24/427161924.db2.gz JXZGLGKNLGVNAI-UHFFFAOYSA-N 2 0 317.458 2.574 20 0 DFADRP C[NH+](C)Cc1cccc(CNC(=O)[C@H]2CCCCCC[C@@H]2[NH3+])c1 ZINC000164418443 271093263 /nfs/dbraw/zinc/09/32/63/271093263.db2.gz LTPIJYCCNBDIRO-ROUUACIJSA-N 2 0 317.477 2.662 20 0 DFADRP CC[NH+]1CCC(CCNC(=O)[C@@H]2CCCCCC[C@@H]2[NH3+])CC1 ZINC000168711962 271098789 /nfs/dbraw/zinc/09/87/89/271098789.db2.gz VKCYJPKYUFWRPU-SJORKVTESA-N 2 0 309.498 2.522 20 0 DFADRP CCN(C)c1ccc(C[NH2+]Cc2ccc(C[NH+](C)C)cc2)cn1 ZINC000190698694 427162924 /nfs/dbraw/zinc/16/29/24/427162924.db2.gz GHPFPTVMXBCBCT-UHFFFAOYSA-N 2 0 312.461 2.889 20 0 DFADRP CC(C)[NH+]1CCC(C(=O)N2CCC[C@@H]([NH+]3CCCC3)CC2)CC1 ZINC000175087036 271146814 /nfs/dbraw/zinc/14/68/14/271146814.db2.gz RCRVECKZLXYLRA-GOSISDBHSA-N 2 0 321.509 2.584 20 0 DFADRP C[C@@H](C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1)[NH+]1CCCCCC1 ZINC000175113925 271147851 /nfs/dbraw/zinc/14/78/51/271147851.db2.gz FHOPDZIVJTVTNJ-AWEZNQCLSA-N 2 0 309.498 2.676 20 0 DFADRP C[NH+](C)Cc1ccsc1C(=O)NCCC[NH+]1CCCCCC1 ZINC000268081880 271286189 /nfs/dbraw/zinc/28/61/89/271286189.db2.gz GOYMOJOPKFURSX-UHFFFAOYSA-N 2 0 323.506 2.806 20 0 DFADRP C[C@H]([NH2+]CCC1(O)CCC1)c1cccc(OCC[NH+](C)C)c1 ZINC000284284964 427171212 /nfs/dbraw/zinc/17/12/12/427171212.db2.gz HUTBPFKWDBVKSV-HNNXBMFYSA-N 2 0 306.450 2.583 20 0 DFADRP [NH3+][C@H]1CCCO[C@@H]1C1CCN(c2cc[nH+]c3ccccc32)CC1 ZINC000333712916 271387222 /nfs/dbraw/zinc/38/72/22/271387222.db2.gz SPFVVCUFTHMBIL-QFBILLFUSA-N 2 0 311.429 2.958 20 0 DFADRP C[C@@H]1C[C@H]([NH2+]CCc2cccc(C(F)(F)F)n2)CN1C1CC1 ZINC000293131645 427220138 /nfs/dbraw/zinc/22/01/38/427220138.db2.gz ZTYGEAAYJFOVPJ-YPMHNXCESA-N 2 0 313.367 2.858 20 0 DFADRP COc1cc(CN2CCC[C@@H]([NH+](C)C)CC2)cc(OC)c1OC ZINC000277491202 427218683 /nfs/dbraw/zinc/21/86/83/427218683.db2.gz NIGXUJYBJPPUNK-OAHLLOKOSA-N 2 0 322.449 2.629 20 0 DFADRP CC(C)[C@H]1C[C@@H]([NH2+]Cc2ccnc(OCC[NH+](C)C)c2)CS1 ZINC000277343059 427173078 /nfs/dbraw/zinc/17/30/78/427173078.db2.gz VFMVTUQMUQDZSY-HZPDHXFCSA-N 2 0 323.506 2.642 20 0 DFADRP C[N@H+](CCCN1CC[NH+](C)CC1)[C@@H]1CCc2c1cccc2Cl ZINC000182960160 427174856 /nfs/dbraw/zinc/17/48/56/427174856.db2.gz QKWKMZDDPDIQOX-GOSISDBHSA-N 2 0 321.896 2.897 20 0 DFADRP CCCc1ccc(C[N@H+](C)CCCN2CC[NH+](C)CC2)cc1 ZINC000182965748 427175770 /nfs/dbraw/zinc/17/57/70/427175770.db2.gz KISCWRSGRLMLAV-UHFFFAOYSA-N 2 0 303.494 2.708 20 0 DFADRP COc1cccc(C[NH2+]CCCC[NH+]2C[C@H](C)C[C@@H](C)C2)n1 ZINC000190773651 427179352 /nfs/dbraw/zinc/17/93/52/427179352.db2.gz GFUQVCFJWKRZQI-HZPDHXFCSA-N 2 0 305.466 2.938 20 0 DFADRP C[C@@H]1C[C@@H](CC[NH2+]Cc2cncn2C)C[N@@H+]1Cc1ccccc1 ZINC000338196214 427185859 /nfs/dbraw/zinc/18/58/59/427185859.db2.gz NIBNKRDOLYRWHK-SJLPKXTDSA-N 2 0 312.461 2.810 20 0 DFADRP C[C@@H]1COCC[C@H]1[NH2+]Cc1ccc(OC2CC[NH+](C)CC2)cc1 ZINC000284353781 427190225 /nfs/dbraw/zinc/19/02/25/427190225.db2.gz MMLSLGHFEDUJOI-DNVCBOLYSA-N 2 0 318.461 2.674 20 0 DFADRP FC1(F)CCC[C@@H](C[NH+]2CCC(C[NH+]3CCOCC3)CC2)C1 ZINC000338240181 427207054 /nfs/dbraw/zinc/20/70/54/427207054.db2.gz SBSDOYRCQSGFGG-MRXNPFEDSA-N 2 0 316.436 2.856 20 0 DFADRP C[NH+]1CCC(C)(C[NH2+][C@H](c2nnc[nH]2)C2CCCCC2)CC1 ZINC000330269136 427210688 /nfs/dbraw/zinc/21/06/88/427210688.db2.gz RSHKXMKHNDLAMG-HNNXBMFYSA-N 2 0 305.470 2.748 20 0 DFADRP C[NH+](C)CCN1CCC([NH2+]C/C=C/c2ccc(F)c(F)c2)CC1 ZINC000285371671 427212398 /nfs/dbraw/zinc/21/23/98/427212398.db2.gz FZCWGPXYZMEYIR-ONEGZZNKSA-N 2 0 323.431 2.594 20 0 DFADRP C[C@@H]([NH3+])CCC(=O)NCc1ccc(C[N@@H+]2CCCC[C@H]2C)cc1 ZINC000277496776 427221649 /nfs/dbraw/zinc/22/16/49/427221649.db2.gz OMRZTFKVJGZVQT-HZPDHXFCSA-N 2 0 317.477 2.805 20 0 DFADRP CC[NH+]1CCN([C@H]2CC[N@H+](C[C@@H]3CCCC(F)(F)C3)C2)CC1 ZINC000338309195 427253600 /nfs/dbraw/zinc/25/36/00/427253600.db2.gz UPXWSAMCPRZNPY-CVEARBPZSA-N 2 0 315.452 2.524 20 0 DFADRP CSC[C@@H](O)C[NH2+][C@H]1CCN(Cc2ccccc2)CC1(C)C ZINC000338322043 427258520 /nfs/dbraw/zinc/25/85/20/427258520.db2.gz SCUODQZHJSJOPX-IRXDYDNUSA-N 2 0 322.518 2.601 20 0 DFADRP C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)c1c[nH+]ccc1N(C)C ZINC000183387949 427261381 /nfs/dbraw/zinc/26/13/81/427261381.db2.gz IXRIANROVCZUKJ-OAHLLOKOSA-N 2 0 318.465 2.532 20 0 DFADRP CC[NH+](CC)CCOc1ccc(C[NH2+]C2CCC(O)CC2)cc1 ZINC000285699011 427314698 /nfs/dbraw/zinc/31/46/98/427314698.db2.gz OYMWBIMDHPDVAF-UHFFFAOYSA-N 2 0 320.477 2.800 20 0 DFADRP CCC(CC)(CNC(=O)[C@@H](C)C[NH3+])[NH2+][C@H](C)c1ccccc1 ZINC000285712903 427317796 /nfs/dbraw/zinc/31/77/96/427317796.db2.gz DLFXTQQVWBXYBX-LSDHHAIUSA-N 2 0 305.466 2.607 20 0 DFADRP CCc1ccccc1CC[N@H+](C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000277822850 427329963 /nfs/dbraw/zinc/32/99/63/427329963.db2.gz VSKAYLIRMUEEHZ-KRWDZBQOSA-N 2 0 318.505 2.816 20 0 DFADRP C[C@@H](Cc1cccc(Cl)c1)[NH2+]CC1CC[NH+](CCO)CC1 ZINC000338452946 427330987 /nfs/dbraw/zinc/33/09/87/427330987.db2.gz LEJRFFNGCOSVSX-AWEZNQCLSA-N 2 0 310.869 2.565 20 0 DFADRP COc1ccccc1COC1CC[NH+](C[C@H]2CCC[NH2+]C2)CC1 ZINC000261914633 427344020 /nfs/dbraw/zinc/34/40/20/427344020.db2.gz JQWXBFKLEKNTED-INIZCTEOSA-N 2 0 318.461 2.676 20 0 DFADRP COCC[N@H+](C)CCC[NH2+][C@@H](Cc1cccc(OC)c1)C1CC1 ZINC000269849273 427292499 /nfs/dbraw/zinc/29/24/99/427292499.db2.gz FLMAEWLEVTVACR-IBGZPJMESA-N 2 0 320.477 2.574 20 0 DFADRP CCc1ccc2[nH+]ccc(N3CCC([N@H+](C)CCO)CC3)c2c1 ZINC000296990555 427297679 /nfs/dbraw/zinc/29/76/79/427297679.db2.gz FICGTGRIIPJALH-UHFFFAOYSA-N 2 0 313.445 2.690 20 0 DFADRP CC[C@@H](C(=O)NC1CC[NH+]([C@H](C)c2ccccc2)CC1)[NH+](C)C ZINC000338966054 271627531 /nfs/dbraw/zinc/62/75/31/271627531.db2.gz KXNNSFYPALSPFW-QAPCUYQASA-N 2 0 317.477 2.668 20 0 DFADRP CN(CC[NH3+])[C@@H]1CCSc2ccc(Br)cc21 ZINC000262919873 427379487 /nfs/dbraw/zinc/37/94/87/427379487.db2.gz GUECRYFWFWDDJR-LLVKDONJSA-N 2 0 301.253 2.877 20 0 DFADRP C[NH+](C)[C@@H]1CCC[C@@H]([NH2+]C2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000297305643 427394833 /nfs/dbraw/zinc/39/48/33/427394833.db2.gz BIBFVMIZBCIBEY-SJLPKXTDSA-N 3 0 302.466 2.513 20 0 DFADRP COc1ccc([C@H](C)C[NH2+]CCC[N@@H+]2CCCO[C@@H](C)C2)cc1 ZINC000278066642 427397358 /nfs/dbraw/zinc/39/73/58/427397358.db2.gz ZCHQKDJLQQXJEG-SJORKVTESA-N 2 0 320.477 2.889 20 0 DFADRP CCO[C@@H]1C[C@@H]([NH2+]Cc2cccc(C[NH+](C)C)c2)[C@@H]1SC ZINC000297313129 427397830 /nfs/dbraw/zinc/39/78/30/427397830.db2.gz BWXIDTJWAIENJY-ZACQAIPSSA-N 2 0 308.491 2.747 20 0 DFADRP CC[N@@H+]1CC[C@H]([NH2+]CCc2cc(C(F)(F)F)ccn2)[C@@H](C)C1 ZINC000293720767 427413078 /nfs/dbraw/zinc/41/30/78/427413078.db2.gz NQOPCOMYFMDEJW-WFASDCNBSA-N 2 0 315.383 2.963 20 0 DFADRP C[C@H]1CN(Cc2ccccc2)C[C@@H]1[NH2+]Cc1ccc2c[nH+]cn2c1 ZINC000297514156 427413816 /nfs/dbraw/zinc/41/38/16/427413816.db2.gz MNEYACUVZHSGMP-JXFKEZNVSA-N 2 0 320.440 2.944 20 0 DFADRP [NH3+][C@@H]1CCC[C@H](C(=O)NC[C@H](c2cccs2)[NH+]2CCCC2)C1 ZINC000262326396 427356903 /nfs/dbraw/zinc/35/69/03/427356903.db2.gz XAQSUBNKXCIKRP-RRFJBIMHSA-N 2 0 321.490 2.519 20 0 DFADRP CC[NH+](CC)Cc1cccc(NC(=O)CC[C@H]2CCC[NH2+]2)c1 ZINC000262566118 427362324 /nfs/dbraw/zinc/36/23/24/427362324.db2.gz WQIUDWLMGZEAKW-MRXNPFEDSA-N 2 0 303.450 2.999 20 0 DFADRP CC[N@H+](C)[C@H](C(=O)NCc1ccc2c[nH+]cn2c1)c1ccccc1 ZINC000297219125 427363239 /nfs/dbraw/zinc/36/32/39/427363239.db2.gz MOBCBHGHBCRNSF-SFHVURJKSA-N 2 0 322.412 2.644 20 0 DFADRP CCOc1cccc(C[NH2+]CCC[N@@H+]2CCCO[C@H](C)C2)c1 ZINC000277936214 427364553 /nfs/dbraw/zinc/36/45/53/427364553.db2.gz QTLKSBZSHFKGIV-MRXNPFEDSA-N 2 0 306.450 2.676 20 0 DFADRP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)[C@@H](C)[C@H]([NH3+])c1ccccc1 ZINC000262681455 427366428 /nfs/dbraw/zinc/36/64/28/427366428.db2.gz XMZQTLRIQHYXSU-JQHSSLGASA-N 2 0 317.477 2.703 20 0 DFADRP C[C@H](C[NH2+]Cc1ccc(C2CCC2)cc1)CN1CC[NH+](C)CC1 ZINC000293577233 427369042 /nfs/dbraw/zinc/36/90/42/427369042.db2.gz NLJSOPGNIAPIHJ-QGZVFWFLSA-N 2 0 315.505 2.927 20 0 DFADRP C[C@H](C[NH2+][C@H](C)CC(=O)Nc1cccc(Cl)c1)C[NH+](C)C ZINC000293824250 427449706 /nfs/dbraw/zinc/44/97/06/427449706.db2.gz WGWRKEFWMHSBLK-CHWSQXEVSA-N 2 0 311.857 2.844 20 0 DFADRP C[C@H]1C[C@@H](N(C)Cc2cnc3ccc(Cl)cn23)CC[N@@H+]1C ZINC000271206532 427450544 /nfs/dbraw/zinc/45/05/44/427450544.db2.gz RWMOOAJMSCRNFN-JSGCOSHPSA-N 2 0 306.841 2.902 20 0 DFADRP C[C@H]([NH2+]CCN1CC[N@H+](C)C(C)(C)C1)[C@@H]1C[C@@H]1c1ccccc1 ZINC000338778491 427481174 /nfs/dbraw/zinc/48/11/74/427481174.db2.gz FAYHNGQEHYJLQL-YTQUADARSA-N 2 0 315.505 2.794 20 0 DFADRP C[C@@H](C(=O)Nc1ccc(-c2ncc3n2CCCC3)cc1)[C@H](C)[NH3+] ZINC000192099807 427481269 /nfs/dbraw/zinc/48/12/69/427481269.db2.gz OWQMLILMCJKGAW-OLZOCXBDSA-N 2 0 312.417 2.808 20 0 DFADRP CC(C)CC[N@@H+]1Cc2cccc(NC(=O)[C@H](C)[C@@H](C)[NH3+])c2C1 ZINC000192107248 427482851 /nfs/dbraw/zinc/48/28/51/427482851.db2.gz MJODTFRUUVSERK-ZIAGYGMSSA-N 2 0 303.450 2.970 20 0 DFADRP CC[NH+](CC)[C@@H]1CCN([C@@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000271283179 427483637 /nfs/dbraw/zinc/48/36/37/427483637.db2.gz OLNZFMRSGFFTHX-RTBURBONSA-N 2 0 301.478 2.677 20 0 DFADRP C[C@H]1[C@@H]([NH2+]CCCC[NH+](C)C)CCCN1Cc1ccccc1 ZINC000293764626 427428953 /nfs/dbraw/zinc/42/89/53/427428953.db2.gz PEFGVLJNOXTKSK-HKUYNNGSSA-N 2 0 303.494 2.971 20 0 DFADRP O[C@H](C[NH2+][C@@H](Cc1ccccc1Cl)C1CC1)C[NH+]1CCCC1 ZINC000293785114 427435561 /nfs/dbraw/zinc/43/55/61/427435561.db2.gz QJUZPWPPICHSQA-AEFFLSMTSA-N 2 0 322.880 2.707 20 0 DFADRP CC[N@@H+]1CC[C@H](N(C)Cc2c(C)nc3sc(C)nn23)[C@H](C)C1 ZINC000271192987 427443343 /nfs/dbraw/zinc/44/33/43/427443343.db2.gz MRZNPTKKRBCGTE-RISCZKNCSA-N 2 0 321.494 2.570 20 0 DFADRP C[C@@H]1CC[N@H+](C[C@@H](O)c2ccccc2F)C[C@H]1n1ccnc1 ZINC000271196477 427443403 /nfs/dbraw/zinc/44/34/03/427443403.db2.gz DPJPOIYMZQVVLA-KBRIMQKVSA-N 2 0 303.381 2.639 20 0 DFADRP C[C@H]1CC[N@H+](Cc2cccc3nsnc32)C[C@H]1n1ccnc1 ZINC000271202137 427445127 /nfs/dbraw/zinc/44/51/27/427445127.db2.gz FOXYXNUMUAWSRQ-SWLSCSKDSA-N 2 0 313.430 2.971 20 0 DFADRP CC[N@@H+]1C[C@H](C)[C@H](N[C@H](C[NH+](C)C)c2ccc(Cl)cc2)C1 ZINC000338794732 427492402 /nfs/dbraw/zinc/49/24/02/427492402.db2.gz RAQAJNARKJARSN-IAOVAPTHSA-N 2 0 309.885 2.873 20 0 DFADRP C[C@@H]1C[C@@H](C[NH2+]C2CCN(c3cc[nH+]cc3)CC2)C[C@H](C)O1 ZINC000298029969 427506472 /nfs/dbraw/zinc/50/64/72/427506472.db2.gz FTPPAVCOHCSLRH-MUJYYYPQSA-N 2 0 303.450 2.844 20 0 DFADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+]Cc2ccc3occc3c2)CC1 ZINC000286389866 427514525 /nfs/dbraw/zinc/51/45/25/427514525.db2.gz GXWYYPONSZMHAV-INIZCTEOSA-N 2 0 315.461 2.796 20 0 DFADRP C[NH+](C)CCC1CC[NH+]([C@@H]2CCN(Cc3ccccc3)C2)CC1 ZINC000271435824 427536426 /nfs/dbraw/zinc/53/64/26/427536426.db2.gz QRCTZUHSVKCVEJ-HXUWFJFHSA-N 2 0 315.505 2.925 20 0 DFADRP C[C@H](C(=O)Nc1cccc(C[NH+](C)C)c1)[NH+]1[C@H](C)CC[C@H]1C ZINC000263682136 427539720 /nfs/dbraw/zinc/53/97/20/427539720.db2.gz NRSTZVLDFWDABM-RBSFLKMASA-N 2 0 303.450 2.948 20 0 DFADRP COc1ccc([C@H](OC)[C@H](C)[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000271460839 427546840 /nfs/dbraw/zinc/54/68/40/427546840.db2.gz HGOWKCOHHPTXAJ-PCODUJHASA-N 2 0 318.461 2.988 20 0 DFADRP C[C@H](CO)CCC[NH2+][C@@H](C)c1cccc(OCC[NH+](C)C)c1 ZINC000271461113 427546939 /nfs/dbraw/zinc/54/69/39/427546939.db2.gz HLXPDLGVEWKGTC-HOTGVXAUSA-N 2 0 308.466 2.686 20 0 DFADRP c1ccc(C[N@H+]2CC[C@H](N3CC[C@H](C[NH+]4CCCC4)C3)C2)cc1 ZINC000271470970 427552116 /nfs/dbraw/zinc/55/21/16/427552116.db2.gz YYBFGNKKVBNROG-UXHICEINSA-N 2 0 313.489 2.679 20 0 DFADRP C[NH+](C)CCOc1cc(C[NH2+][C@@H]2CCC[C@H]2CCF)ccn1 ZINC000286318461 427490873 /nfs/dbraw/zinc/49/08/73/427490873.db2.gz XUQNUOURYBHDLN-JKSUJKDBSA-N 2 0 309.429 2.640 20 0 DFADRP C[C@@](O)(C[NH2+]C1CCN(c2cc[nH+]cc2)CC1)c1ccsc1 ZINC000298478590 427622918 /nfs/dbraw/zinc/62/29/18/427622918.db2.gz PIIXBULFIUMBRT-QGZVFWFLSA-N 2 0 317.458 2.609 20 0 DFADRP Cc1ccccc1[C@@H](O)C[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000298324556 427572600 /nfs/dbraw/zinc/57/26/00/427572600.db2.gz INVUBPBPSBAROW-IBGZPJMESA-N 2 0 311.429 2.682 20 0 DFADRP CN(C)C[C@@H]([NH2+]C1CCN(c2cc[nH+]cc2)CC1)c1ccccc1 ZINC000298334756 427574567 /nfs/dbraw/zinc/57/45/67/427574567.db2.gz IZAWFTVSQYYDRX-HXUWFJFHSA-N 2 0 324.472 2.943 20 0 DFADRP c1ccc(C[N@@H+]2C[C@@H]3CC[C@@H]([NH2+][C@H]4CCCOC4)[C@H]3C2)cc1 ZINC000287335754 427580619 /nfs/dbraw/zinc/58/06/19/427580619.db2.gz MQVDOLPGWFWASM-CADBVGFASA-N 2 0 300.446 2.666 20 0 DFADRP C[NH+](C)Cc1ccc(-c2noc(CC3CC[NH+](C)CC3)n2)cc1 ZINC000287333463 427581645 /nfs/dbraw/zinc/58/16/45/427581645.db2.gz MNZWWCQHBGTOCK-UHFFFAOYSA-N 2 0 314.433 2.683 20 0 DFADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1[NH2+]CCCN1CCc2ccccc21 ZINC000192702902 427592117 /nfs/dbraw/zinc/59/21/17/427592117.db2.gz IAHFVHYKLRCQLC-RYRKJORJSA-N 2 0 301.478 2.758 20 0 DFADRP c1c(CNCc2ccc(C[NH+]3CCCC3)cc2)nc2ncccn12 ZINC000298420552 427605558 /nfs/dbraw/zinc/60/55/58/427605558.db2.gz MOQDUGYCVJFBNK-UHFFFAOYSA-N 2 0 321.428 2.615 20 0 DFADRP CC[NH+](CC)Cc1ccc(C(=O)NCC[NH+]2CCCCC2)cc1 ZINC000298494845 427629898 /nfs/dbraw/zinc/62/98/98/427629898.db2.gz FFCZWHNLUZYAIK-UHFFFAOYSA-N 2 0 317.477 2.744 20 0 DFADRP OCCCCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000192922610 427634745 /nfs/dbraw/zinc/63/47/45/427634745.db2.gz FTBUCCKLZDTTFZ-YQQQUEKLSA-N 2 0 302.462 2.934 20 0 DFADRP O[C@H](C[NH2+]C1CCN(c2cc[nH+]cc2)CC1)c1ccccc1F ZINC000298515991 427635276 /nfs/dbraw/zinc/63/52/76/427635276.db2.gz RGBTUSWIPIRBSK-GOSISDBHSA-N 2 0 315.392 2.513 20 0 DFADRP CCC[C@H]([NH2+]C[C@@H](C)CN1CC[NH+](CC)CC1)c1cccnc1 ZINC000185344844 427637059 /nfs/dbraw/zinc/63/70/59/427637059.db2.gz XBOUFVHZPSGLQM-MJGOQNOKSA-N 2 0 318.509 2.786 20 0 DFADRP CCC[C@@H]([NH2+]C[C@@H](C)CN1CC[NH+](CC)CC1)c1cccnc1 ZINC000185344864 427637284 /nfs/dbraw/zinc/63/72/84/427637284.db2.gz XBOUFVHZPSGLQM-IEBWSBKVSA-N 2 0 318.509 2.786 20 0 DFADRP C[C@@H]1CN(CCC[NH2+]Cc2sccc2Cl)C[C@H](C)O1 ZINC000192989755 427645497 /nfs/dbraw/zinc/64/54/97/427645497.db2.gz UWULSOLOEAHYJF-TXEJJXNPSA-N 2 0 302.871 2.990 20 0 DFADRP C[C@@H]1CN(CCC[NH2+]Cc2sccc2Cl)C[C@@H](C)O1 ZINC000192989782 427646149 /nfs/dbraw/zinc/64/61/49/427646149.db2.gz UWULSOLOEAHYJF-VXGBXAGGSA-N 2 0 302.871 2.990 20 0 DFADRP COCCCOc1ccc(C[NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)cc1 ZINC000287586818 427646904 /nfs/dbraw/zinc/64/69/04/427646904.db2.gz RJWLQEINJCKPNX-NVXWUHKLSA-N 2 0 306.450 2.674 20 0 DFADRP CC[NH+]1CCN(CCCC[NH2+]Cc2sccc2Cl)CC1 ZINC000193003394 427648762 /nfs/dbraw/zinc/64/87/62/427648762.db2.gz PVENVSFJUIFLTQ-UHFFFAOYSA-N 2 0 315.914 2.909 20 0 DFADRP CC[NH+](CC)C[C@@H]1CCN(Cc2c(C)cc(C)nc2OC)C1 ZINC000287611183 427653862 /nfs/dbraw/zinc/65/38/62/427653862.db2.gz DSVKCBVBFZRMSM-INIZCTEOSA-N 2 0 305.466 2.871 20 0 DFADRP CC[C@@H](C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C(C)C)[NH+](CC)CC ZINC000342565835 272025376 /nfs/dbraw/zinc/02/53/76/272025376.db2.gz HTEIRRNAERXMOU-IKGGRYGDSA-N 2 0 309.498 2.581 20 0 DFADRP CC1(C)CC[C@H]1[NH2+]CCN1CC[NH+](Cc2ccccc2)CC1 ZINC000342622880 272032213 /nfs/dbraw/zinc/03/22/13/272032213.db2.gz FKVFIEYTFVLWQA-GOSISDBHSA-N 2 0 301.478 2.582 20 0 DFADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)CC[NH+](C)C1CCCCC1 ZINC000342671102 272039972 /nfs/dbraw/zinc/03/99/72/272039972.db2.gz SSMNEPZWPRYORV-QGZVFWFLSA-N 2 0 309.498 2.584 20 0 DFADRP C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)C1(C[NH+](C)C)CCCCC1 ZINC000342763363 272052165 /nfs/dbraw/zinc/05/21/65/272052165.db2.gz ZJJNQEZPRIHCHJ-IAGOWNOFSA-N 2 0 321.509 2.584 20 0 DFADRP CC[NH+](CC)[C@H](CNC(=O)[C@H]1CCC[NH2+][C@H]1C)c1ccsc1 ZINC000342765239 272052234 /nfs/dbraw/zinc/05/22/34/272052234.db2.gz MZJUZIVBWAAVRA-CWRNSKLLSA-N 2 0 323.506 2.635 20 0 DFADRP CCCN(CC[NH+]1CCCCC1)C(=O)[C@H](C)[NH2+]C(C)(C)CC ZINC000342787927 272053771 /nfs/dbraw/zinc/05/37/71/272053771.db2.gz OFFVDKIKJOGJMG-INIZCTEOSA-N 2 0 311.514 2.878 20 0 DFADRP Cc1nccn1CCC[N@@H+]1CCc2c(cnn2-c2ccccc2)C1 ZINC000342863885 272063460 /nfs/dbraw/zinc/06/34/60/272063460.db2.gz KCGBPPCABNPZEW-UHFFFAOYSA-N 2 0 321.428 2.826 20 0 DFADRP CCC[C@H](C(=O)N1CCC[C@@H]([N@H+]2[C@H](C)CC[C@@H]2C)C1)[NH+](C)C ZINC000343207944 272096425 /nfs/dbraw/zinc/09/64/25/272096425.db2.gz BLKYQEUKLADXNK-YYIAUSFCSA-N 2 0 309.498 2.581 20 0 DFADRP C[C@@H]1CN(C)C[C@@H]1[NH2+]Cc1ccc(C[NH+]2CCC(C)CC2)cc1 ZINC000343252813 272105461 /nfs/dbraw/zinc/10/54/61/272105461.db2.gz JSMJDNUBBTYNOA-XLIONFOSSA-N 3 0 315.505 2.958 20 0 DFADRP C[NH+](C)C1CCN(CC[NH2+]Cc2cc(Cl)cs2)CC1 ZINC000193138664 427672347 /nfs/dbraw/zinc/67/23/47/427672347.db2.gz JKTDEHKKRYQWSJ-UHFFFAOYSA-N 2 0 301.887 2.517 20 0 DFADRP C[C@@H]1CN(C)C[C@H]1[NH2+]Cc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000343473893 272155857 /nfs/dbraw/zinc/15/58/57/272155857.db2.gz MBUXFBMEJUZKDT-MBOZVWFJSA-N 2 0 315.505 2.958 20 0 DFADRP CC[NH+](CC)CCO[C@H]1CC[N@H+](Cc2cn(C(C)C)nc2C)C1 ZINC000343548456 272167822 /nfs/dbraw/zinc/16/78/22/272167822.db2.gz KCOFRPYSCOFRCB-SFHVURJKSA-N 2 0 322.497 2.705 20 0 DFADRP CCCCCNC(=O)[C@@H](C)[NH+]1CCC(C[NH+](CC)CC)CC1 ZINC000343575424 272174669 /nfs/dbraw/zinc/17/46/69/272174669.db2.gz FPUFASZMLFTDMT-MRXNPFEDSA-N 2 0 311.514 2.735 20 0 DFADRP C[C@@H](c1ccccc1)[N@@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000343916097 272237377 /nfs/dbraw/zinc/23/73/77/272237377.db2.gz AKLHSURFHORKCS-AOIWGVFYSA-N 2 0 301.478 2.705 20 0 DFADRP Cc1cccc(C)c1C[N@@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000343922052 272237764 /nfs/dbraw/zinc/23/77/64/272237764.db2.gz KNNPWYUJHCMDJP-ICSRJNTNSA-N 2 0 315.505 2.761 20 0 DFADRP CO[C@@H]1[C@H](C)[C@H]([NH2+]CCCC[NH+]2C[C@@H](C)O[C@H](C)C2)C1(C)C ZINC000344070462 272256714 /nfs/dbraw/zinc/25/67/14/272256714.db2.gz SMUYZBZXZMCGJD-OVYGPGRDSA-N 2 0 312.498 2.525 20 0 DFADRP CC[NH+]1CCN([C@H](C)C[NH2+][C@@H]2CCCc3ccc(F)cc32)CC1 ZINC000344109788 272265380 /nfs/dbraw/zinc/26/53/80/272265380.db2.gz YHDAVHVKOWADPY-DNVCBOLYSA-N 2 0 319.468 2.819 20 0 DFADRP CCC[N@H+](CCN1CC[NH+](CC)CC1)Cc1ccccc1F ZINC000344142763 272272574 /nfs/dbraw/zinc/27/25/74/272272574.db2.gz MIYXQLCNBVENRJ-UHFFFAOYSA-N 2 0 307.457 2.675 20 0 DFADRP C[C@@H]1CCC[C@H]([NH+]2CCC([NH2+]CC3=CC[N@H+](C)CC3)CC2)C1 ZINC000344292177 272306116 /nfs/dbraw/zinc/30/61/16/272306116.db2.gz FSXUBTFSCQECNP-APWZRJJASA-N 3 0 305.510 2.881 20 0 DFADRP CO[C@H](c1ccccc1F)[C@H](C)[NH2+][C@H]1CN(C2CC2)C[C@H]1C ZINC000344292093 272306252 /nfs/dbraw/zinc/30/62/52/272306252.db2.gz OLSCSZMBFMMENQ-QISBLDNZSA-N 2 0 306.425 2.974 20 0 DFADRP Cn1c2c(nc1[C@@H]1CCCN1CC[C@H]1CCC[N@@H+]1C)CCCC2 ZINC000344362674 272320852 /nfs/dbraw/zinc/32/08/52/272320852.db2.gz IQHJKDQPEGEBRO-QAPCUYQASA-N 2 0 316.493 2.920 20 0 DFADRP Cc1cc(F)ccc1N1CCC[C@H]([NH2+][C@@H]2CN(C)C[C@@H]2C)C1 ZINC000344366446 272321886 /nfs/dbraw/zinc/32/18/86/272321886.db2.gz ABWGJWSLWLUZKR-BHYGNILZSA-N 2 0 305.441 2.643 20 0 DFADRP CC[NH+]1CCN(c2ccccc2C[NH2+]C[C@@H]2CC2(C)C)CC1 ZINC000344414106 272327713 /nfs/dbraw/zinc/32/77/13/272327713.db2.gz ZQCFUIGSFNHTHG-KRWDZBQOSA-N 2 0 301.478 2.964 20 0 DFADRP CCc1ccc(CNC[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)o1 ZINC000344525293 272333757 /nfs/dbraw/zinc/33/37/57/272333757.db2.gz IATCHWLDWISKHR-IBGZPJMESA-N 2 0 314.429 2.569 20 0 DFADRP CCC[N@H+](C)CC(=O)Nc1cccc2c1C[NH+](CC(C)C)C2 ZINC000344537344 272335747 /nfs/dbraw/zinc/33/57/47/272335747.db2.gz SAJTZMORMHNDEJ-UHFFFAOYSA-N 2 0 303.450 2.939 20 0 DFADRP CC(C)[C@@H](CNC(=O)C[NH+]1[C@@H](C)CC[C@@H]1C)[NH+]1CCC(C)CC1 ZINC000344568251 272339385 /nfs/dbraw/zinc/33/93/85/272339385.db2.gz DMQFFFOBHZJCET-OKZBNKHCSA-N 2 0 323.525 2.732 20 0 DFADRP CC[NH+](CC)C[C@H]1CCCC[C@@H]1[NH2+]Cc1ccc(C(N)=O)cc1 ZINC000344814270 272373173 /nfs/dbraw/zinc/37/31/73/272373173.db2.gz JJKMMHDVCONLSF-MSOLQXFVSA-N 2 0 317.477 2.776 20 0 DFADRP COC[C@H]1CCCC[N@H+](Cc2cn(-c3cc[nH+]cc3)nc2C)C1 ZINC000344882840 272381360 /nfs/dbraw/zinc/38/13/60/272381360.db2.gz ANRWZFQWHMXIMK-INIZCTEOSA-N 2 0 314.433 2.824 20 0 DFADRP Cn1nccc1[C@@H]1[C@@H](C[NH2+]C2Cc3ccccc3C2)CCCN1C ZINC000345035046 272396392 /nfs/dbraw/zinc/39/63/92/272396392.db2.gz OGDAQJOLWAIWCS-XLIONFOSSA-N 2 0 324.472 2.560 20 0 DFADRP COCC[C@H](Cc1cccc(F)c1)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000295099576 427690909 /nfs/dbraw/zinc/69/09/09/427690909.db2.gz UQIRFOCEESNGHD-MVCQKVDPSA-N 2 0 320.452 2.988 20 0 DFADRP CCOc1ccc(C[NH+]2CCC(N3CCO[C@@H](C)C3)CC2)cc1 ZINC000193431668 427691818 /nfs/dbraw/zinc/69/18/18/427691818.db2.gz LCIMYRDHBBDJNN-INIZCTEOSA-N 2 0 318.461 2.770 20 0 DFADRP C[C@H](N[C@@H]1CC[N@H+](C)[C@@H](C)C1)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000272278115 427695886 /nfs/dbraw/zinc/69/58/86/427695886.db2.gz CMJONURMUSGRDS-RAUXBKROSA-N 2 0 315.505 2.969 20 0 DFADRP CCn1ncnc1CN[C@@H](C)c1ccc(-n2ccnc2C)cc1 ZINC000193523921 427696652 /nfs/dbraw/zinc/69/66/52/427696652.db2.gz KXTVEHOQFBHQKK-ZDUSSCGKSA-N 2 0 310.405 2.643 20 0 DFADRP Cc1cc(C[NH+]2CCC(C[NH+]3CCOCC3)CC2)cc(C)c1O ZINC000298798135 427707414 /nfs/dbraw/zinc/70/74/14/427707414.db2.gz WNLIKHFZTXZXPM-UHFFFAOYSA-N 2 0 318.461 2.553 20 0 DFADRP OCCCN1CCC[C@@H]([NH2+]CCCCCOc2ccccc2)C1 ZINC000295141063 427711373 /nfs/dbraw/zinc/71/13/73/427711373.db2.gz PVLUZOIMSONRSP-GOSISDBHSA-N 2 0 320.477 2.672 20 0 DFADRP Cc1nc(C[NH+]2CCC(CC[NH+]3CCOCC3)CC2)sc1C ZINC000336853900 427760888 /nfs/dbraw/zinc/76/08/88/427760888.db2.gz CGJRYZONQZRBDN-UHFFFAOYSA-N 2 0 323.506 2.694 20 0 DFADRP CC(C)C[NH+]1CCC(Nc2cc(N3CCCC3)ncn2)CC1 ZINC000301180282 427779926 /nfs/dbraw/zinc/77/99/26/427779926.db2.gz OMBNPGIZQSAVLA-UHFFFAOYSA-N 2 0 303.454 2.609 20 0 DFADRP FC(F)Cn1cc(C[NH2+]CCCCC[NH+]2CCCC2)cn1 ZINC000339501049 427783791 /nfs/dbraw/zinc/78/37/91/427783791.db2.gz UKSFEPCBHCFEGO-UHFFFAOYSA-N 2 0 300.397 2.504 20 0 DFADRP C(C1CC1)[NH+]1CCC([NH2+][C@@H]2[C@H]3CCO[C@H]3C23CCCC3)CC1 ZINC000193983120 427725228 /nfs/dbraw/zinc/72/52/28/427725228.db2.gz WILLOYKYQCILSX-KZNAEPCWSA-N 2 0 304.478 2.798 20 0 DFADRP C[C@@H]1C[C@H](C)C[N@@H+](CCC[NH2+][C@@H]2[C@H]3CCO[C@H]3C23CCC3)C1 ZINC000193976447 427725386 /nfs/dbraw/zinc/72/53/86/427725386.db2.gz OZWVFRDXBJXSTR-CWQOZTLDSA-N 2 0 306.494 2.902 20 0 DFADRP C[N@@H+]1CCC[C@@H]1CCN1CCO[C@H](CCc2ccccc2)C1 ZINC000186051724 427744024 /nfs/dbraw/zinc/74/40/24/427744024.db2.gz JILSJROMXBBORN-RTBURBONSA-N 2 0 302.462 2.804 20 0 DFADRP CC[NH+]1CCN(c2ccccc2C[NH2+][C@H]2CCC[C@H]2F)CC1 ZINC000339588470 427797478 /nfs/dbraw/zinc/79/74/78/427797478.db2.gz YYCGINFYBNPBHX-SJORKVTESA-N 2 0 305.441 2.809 20 0 DFADRP Fc1ccc2c(c1)[nH+]ccc2N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000301476890 427798530 /nfs/dbraw/zinc/79/85/30/427798530.db2.gz WVBXDRCEMREZFW-CQSZACIVSA-N 2 0 315.392 2.532 20 0 DFADRP CC1CC[NH+](C[C@H](O)CNc2cc[nH+]c3cc(F)ccc23)CC1 ZINC000301519480 427802157 /nfs/dbraw/zinc/80/21/57/427802157.db2.gz FAACHLNSYPRQHY-OAHLLOKOSA-N 2 0 317.408 2.879 20 0 DFADRP CC[C@H](C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccccc1)[NH+](CC)CC ZINC000340377579 427833012 /nfs/dbraw/zinc/83/30/12/427833012.db2.gz UMESBHRFFYIYAX-KZNAEPCWSA-N 2 0 317.477 2.668 20 0 DFADRP CC(C)[N@H+](CCCN1CC[NH+](C(C)C)CC1)Cc1cccnc1 ZINC000337306896 427834962 /nfs/dbraw/zinc/83/49/62/427834962.db2.gz VXXFJDMNXSDKHM-UHFFFAOYSA-N 2 0 318.509 2.708 20 0 DFADRP C[N@@H+]1CCC[C@H]1CC[NH+]1CCC[C@@]1(CO)Cc1ccccc1 ZINC000355663889 427839448 /nfs/dbraw/zinc/83/94/48/427839448.db2.gz DSUWSLAAKUINGS-OALUTQOASA-N 2 0 302.462 2.540 20 0 DFADRP CC[NH+](CC)CCOCC[NH2+][C@@H]1CCc2c1c(F)ccc2F ZINC000349686861 427843433 /nfs/dbraw/zinc/84/34/33/427843433.db2.gz YBKPWBZAFHYJBI-MRXNPFEDSA-N 2 0 312.404 2.900 20 0 DFADRP c1ccc(C[N@@H+]2CC[C@H](N3CCC[C@@H]([NH+]4CCCC4)C3)C2)cc1 ZINC000355686044 427848139 /nfs/dbraw/zinc/84/81/39/427848139.db2.gz YSMQEZNTXVTMAI-UXHICEINSA-N 2 0 313.489 2.821 20 0 DFADRP CCc1c(C)[nH+]c2ccccc2c1N1C[C@@H]2[C@H](C1)OCC[N@@H+]2C ZINC000302075795 427849894 /nfs/dbraw/zinc/84/98/94/427849894.db2.gz XVMATNCMLBALHW-MSOLQXFVSA-N 2 0 311.429 2.625 20 0 DFADRP C[C@H]([NH2+]CCCC[NH+]1CCC(C)CC1)C(C)(C)n1cncn1 ZINC000340461777 427855169 /nfs/dbraw/zinc/85/51/69/427855169.db2.gz IEHPXQSWLMKDTB-INIZCTEOSA-N 2 0 307.486 2.503 20 0 DFADRP CCO[C@@H]1C[C@@H]([NH2+]CCCCC[NH+]2CCCC2)C12CCOCC2 ZINC000340474176 427859054 /nfs/dbraw/zinc/85/90/54/427859054.db2.gz RJQFVIDGLHUQNZ-QZTJIDSGSA-N 2 0 324.509 2.816 20 0 DFADRP C[C@H]([NH2+]CCc1ccc(OCC[NH+](C)C)cc1)[C@]1(C)CCCO1 ZINC000340479137 427859086 /nfs/dbraw/zinc/85/90/86/427859086.db2.gz WIPLZLSJZNWYFE-LPHOPBHVSA-N 2 0 320.477 2.717 20 0 DFADRP C[C@@H]([NH2+]CCCC[N@@H+]1CCC[C@@H](C)C1)C(C)(C)n1cncn1 ZINC000340471091 427856628 /nfs/dbraw/zinc/85/66/28/427856628.db2.gz BQSJXMUZVRWATH-HZPDHXFCSA-N 2 0 307.486 2.503 20 0 DFADRP COC(C)(C)[C@H](C)[NH2+]Cc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC000340473221 427857136 /nfs/dbraw/zinc/85/71/36/427857136.db2.gz DNPQTYYLRIXOFO-HNNXBMFYSA-N 2 0 320.477 2.546 20 0 DFADRP C[N@H+](CCCNC(=O)[C@H]1CCCC[C@@]1(C)[NH3+])Cc1ccccc1 ZINC000345693812 427861959 /nfs/dbraw/zinc/86/19/59/427861959.db2.gz OZNSGSGUKAXKRE-IEBWSBKVSA-N 2 0 317.477 2.532 20 0 DFADRP C[N@H+]1CC=C(C[NH2+]C2CCC(C(=O)OC(C)(C)C)CC2)CC1 ZINC000345696627 427864409 /nfs/dbraw/zinc/86/44/09/427864409.db2.gz WBSWECDHDYENNX-UHFFFAOYSA-N 2 0 308.466 2.738 20 0 DFADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@H]([NH+]2[C@H](C)CC[C@@H]2C)C1 ZINC000340500310 427865850 /nfs/dbraw/zinc/86/58/50/427865850.db2.gz RIAMAXVVJPZEGB-XWTMOSNGSA-N 2 0 321.509 2.725 20 0 DFADRP CC(C)(C)[C@@H]1CC[C@H]1[NH2+]C[C@H](O)CN1CCc2ccccc2C1 ZINC000340506025 427867996 /nfs/dbraw/zinc/86/79/96/427867996.db2.gz QWDHZJKOLGDMDA-IPMKNSEASA-N 2 0 316.489 2.820 20 0 DFADRP Cc1ccc(C)c2c1CCC[C@H]2[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000349810490 427868743 /nfs/dbraw/zinc/86/87/43/427868743.db2.gz BUXNWNOKHGFOLB-SJLPKXTDSA-N 2 0 302.462 2.727 20 0 DFADRP C[N@H+](CCCNC(=O)[C@H]1CCCC[C@@]1(C)[NH3+])C1CCCCC1 ZINC000345713859 427872837 /nfs/dbraw/zinc/87/28/37/427872837.db2.gz LHXJLQFTFJULOJ-SJLPKXTDSA-N 2 0 309.498 2.665 20 0 DFADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CC2(COC)CCC2)[C@@H](C)C1 ZINC000337377666 427873358 /nfs/dbraw/zinc/87/33/58/427873358.db2.gz BUDKEVFMLFUMPA-DLBZAZTESA-N 2 0 312.498 2.530 20 0 DFADRP c1ccc(C[NH+]2CCN(CC[NH2+][C@H]3CCC34CCC4)CC2)cc1 ZINC000337379817 427874278 /nfs/dbraw/zinc/87/42/78/427874278.db2.gz CSOYZTGLBZRAKF-IBGZPJMESA-N 2 0 313.489 2.727 20 0 DFADRP C[C@@H](CCN1CC[NH+](C)CC1)[NH2+]C/C=C\c1ccc(F)cc1F ZINC000349833076 427876398 /nfs/dbraw/zinc/87/63/98/427876398.db2.gz YPGFNOWTLFWMKH-JZIMQPMSSA-N 2 0 323.431 2.594 20 0 DFADRP CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CCCC[C@@]1(C)[NH3+] ZINC000345726977 427878597 /nfs/dbraw/zinc/87/85/97/427878597.db2.gz ZEDOKCQDJIEDGR-JFIYKMOQSA-N 2 0 309.498 2.665 20 0 DFADRP CC(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)c1ccc2c[nH+]cn2c1 ZINC000339958191 427886321 /nfs/dbraw/zinc/88/63/21/427886321.db2.gz XSUKEOVGCGSANZ-MRXNPFEDSA-N 2 0 314.433 2.575 20 0 DFADRP C[NH+]1CCC(C)(C[NH2+]Cc2cnc([C@H]3CCCO3)s2)CC1 ZINC000355775240 427887179 /nfs/dbraw/zinc/88/71/79/427887179.db2.gz PMKBWMNZGYEUFQ-CQSZACIVSA-N 2 0 309.479 2.816 20 0 DFADRP CC[C@H](C)[NH2+][C@H](CNC(=O)[C@@H](C)[NH2+]C(C)(C)CC)c1ccco1 ZINC000359543511 427903231 /nfs/dbraw/zinc/90/32/31/427903231.db2.gz NCBKGMBKJLSYFO-RRFJBIMHSA-N 2 0 323.481 2.992 20 0 DFADRP Cc1cccc2nc(CNc3ccncc3Br)cn21 ZINC000340026433 427903614 /nfs/dbraw/zinc/90/36/14/427903614.db2.gz AAABSXBFKWQNJQ-UHFFFAOYSA-N 2 0 317.190 2.834 20 0 DFADRP C[C@H](CC1CCOCC1)C[N@@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@@H]21 ZINC000349971455 427911065 /nfs/dbraw/zinc/91/10/65/427911065.db2.gz JQFRLEONTAYULE-XGXHKWSGSA-N 2 0 324.509 2.623 20 0 DFADRP CC[N@H+](CCC1CC[NH+](C[C@H](O)C(F)(F)F)CC1)CC1CC1 ZINC000359570623 427917674 /nfs/dbraw/zinc/91/76/74/427917674.db2.gz IXWRFUTYDZXEIS-HNNXBMFYSA-N 2 0 322.415 2.744 20 0 DFADRP COC(=O)[C@H](C1CC1)N1CCC[C@@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000359589651 427923995 /nfs/dbraw/zinc/92/39/95/427923995.db2.gz HLKLTOGYYOCABT-ZOBUZTSGSA-N 2 0 308.466 2.524 20 0 DFADRP COC(C)(C)[C@@H](C)[NH2+]CCc1ccc(OCC[NH+](C)C)cc1 ZINC000340480507 427859379 /nfs/dbraw/zinc/85/93/79/427859379.db2.gz PJORIHPCPUVYAJ-OAHLLOKOSA-N 2 0 308.466 2.573 20 0 DFADRP Cc1nn(C)c(C)c1C[NH2+][C@H]1CCN(C)[C@H](c2ccccc2)C1 ZINC000340216835 427956726 /nfs/dbraw/zinc/95/67/26/427956726.db2.gz FEZVJQXTKADEAE-HKUYNNGSSA-N 2 0 312.461 2.962 20 0 DFADRP CC[N@H+](CCN[C@@H]1CC[NH+](C)[C@@H](c2ccccc2)C1)C1CC1 ZINC000340223304 427959109 /nfs/dbraw/zinc/95/91/09/427959109.db2.gz QLNDKMYAUNTWAY-IEBWSBKVSA-N 2 0 301.478 2.896 20 0 DFADRP C[C@@H](C[NH2+][C@@H](C)c1cccc(C2CC2)c1)N1CC[NH+](C)CC1 ZINC000340227872 427959430 /nfs/dbraw/zinc/95/94/30/427959430.db2.gz FQQKXRQWJRCUDU-HOTGVXAUSA-N 2 0 301.478 2.851 20 0 DFADRP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)N1CC[NH+](C2CCC(C)CC2)CC1 ZINC000346906712 272699222 /nfs/dbraw/zinc/69/92/22/272699222.db2.gz JUOBCUOKGZVQSL-QLOLRVAOSA-N 2 0 321.509 2.582 20 0 DFADRP Cc1cccc(N2CCC([NH2+][C@H](C)[C@]3(C)CCCO3)CC2)n1 ZINC000340244104 427965230 /nfs/dbraw/zinc/96/52/30/427965230.db2.gz DGZLPFPRHXAQPY-QAPCUYQASA-N 2 0 303.450 2.906 20 0 DFADRP Cc1cccc(N2CCC([NH2+][C@H](C)[C@@]3(C)CCCO3)CC2)n1 ZINC000340244102 427965413 /nfs/dbraw/zinc/96/54/13/427965413.db2.gz DGZLPFPRHXAQPY-CRAIPNDOSA-N 2 0 303.450 2.906 20 0 DFADRP C[NH+]1CCN(CCC(C)(C)[NH2+]Cc2ccsc2Cl)CC1 ZINC000359689109 427973483 /nfs/dbraw/zinc/97/34/83/427973483.db2.gz SLOIVCCTJQSBCJ-UHFFFAOYSA-N 2 0 315.914 2.907 20 0 DFADRP CC[C@H](C(=O)Nc1cccc(OCC[NH+](C)C)c1)[NH+](CC)CC ZINC000345990232 427976261 /nfs/dbraw/zinc/97/62/61/427976261.db2.gz YMOXGIQJYAAQER-QGZVFWFLSA-N 2 0 321.465 2.686 20 0 DFADRP CCC[NH+]1CCC(N(C)C(=O)[C@H](C)[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC000413204795 427989977 /nfs/dbraw/zinc/98/99/77/427989977.db2.gz AUYKHHUJXLMRGT-JYJNAYRXSA-N 2 0 309.498 2.581 20 0 DFADRP CCCN(CC[NH+]1CCCCC1)C(=O)CC[C@H]1CCCC[N@@H+]1C ZINC000359726672 427990407 /nfs/dbraw/zinc/99/04/07/427990407.db2.gz YWTXQNJGGRDWGH-GOSISDBHSA-N 2 0 323.525 2.975 20 0 DFADRP CC[NH+]1CCN(C[C@H](C)C[NH2+]Cc2ccsc2Cl)CC1 ZINC000359726040 427990564 /nfs/dbraw/zinc/99/05/64/427990564.db2.gz WOJNMCUFFRXLGW-CYBMUJFWSA-N 2 0 315.914 2.765 20 0 DFADRP C[C@H]1C[N@H+](C)CC[C@H]1[NH2+]Cc1ccc(C[NH+]2CCCC2)cc1 ZINC000359620180 427937376 /nfs/dbraw/zinc/93/73/76/427937376.db2.gz PUODEXNYOHJQKR-QFBILLFUSA-N 3 0 301.478 2.712 20 0 DFADRP C[N@@H+]1CC[C@@H](NCCC[NH+]2CCCC2)C[C@@H]1c1ccccc1 ZINC000340183136 427947159 /nfs/dbraw/zinc/94/71/59/427947159.db2.gz VFULALGSNKKQKB-RTBURBONSA-N 2 0 301.478 2.897 20 0 DFADRP CC[N@@H+]1CCC[C@@H]1CN[C@H]1CC[NH+](C)[C@@H](c2ccccc2)C1 ZINC000340180312 427948195 /nfs/dbraw/zinc/94/81/95/427948195.db2.gz HKNXPBOQXHJMFQ-IPMKNSEASA-N 2 0 301.478 2.896 20 0 DFADRP C[N@@H+]1CCCC[C@H]1CC[NH+]1CCC[C@H](c2nncn2C2CC2)C1 ZINC000340914157 427950998 /nfs/dbraw/zinc/95/09/98/427950998.db2.gz LVBQHLAJPDFFTL-HOTGVXAUSA-N 2 0 317.481 2.667 20 0 DFADRP CC[C@H](C(=O)NC[C@@H](c1ccccc1)[NH+](C)C)[NH+](CC)CC ZINC000345925567 427952301 /nfs/dbraw/zinc/95/23/01/427952301.db2.gz DCUSRHKZIQFCSO-SJORKVTESA-N 2 0 305.466 2.526 20 0 DFADRP CN(CC[NH+]1CCC(C[NH+](C)C)CC1)Cc1ccc(F)cc1 ZINC000359828350 428035234 /nfs/dbraw/zinc/03/52/34/428035234.db2.gz FCMXQCJDEQSEJH-UHFFFAOYSA-N 2 0 307.457 2.531 20 0 DFADRP C[NH+]1CCC2(CCC[N@H+](CC3CCC4(CC3)OCCO4)C2)CC1 ZINC000369703921 428038705 /nfs/dbraw/zinc/03/87/05/428038705.db2.gz OARWQEGWWQPIOZ-UHFFFAOYSA-N 2 0 322.493 2.728 20 0 DFADRP COCC[N@@H+](Cc1cn(-c2cc[nH+]cc2)nc1C)CC(C)C ZINC000346152298 428040721 /nfs/dbraw/zinc/04/07/21/428040721.db2.gz ZYWABFVMAQQOQB-UHFFFAOYSA-N 2 0 302.422 2.680 20 0 DFADRP COc1ccc(C[NH+]2CCC(C[NH+](C)C)CC2)c(C)c1OC ZINC000347591804 272805049 /nfs/dbraw/zinc/80/50/49/272805049.db2.gz PJQXLTRCUBSWIO-UHFFFAOYSA-N 2 0 306.450 2.786 20 0 DFADRP CC[C@H]([NH2+][C@@H]1CCCN(C)[C@@H]1C)c1ccc(C(=O)OC)cc1 ZINC000340361995 427998127 /nfs/dbraw/zinc/99/81/27/427998127.db2.gz SMZOAMGZSKHXPB-XOKHGSTOSA-N 2 0 304.434 2.997 20 0 DFADRP CCC[N@H+](CC)C[C@@H](C)NC(=O)[C@H]1CC[NH+](C2CCCCC2)C1 ZINC000359741041 427998294 /nfs/dbraw/zinc/99/82/94/427998294.db2.gz BWNNHURVPWFWGC-SJORKVTESA-N 2 0 323.525 2.878 20 0 DFADRP CCC[N@H+](CC)C[C@H](C)NC(=O)C1(C[NH+](C)C)CCCCC1 ZINC000359776144 428014902 /nfs/dbraw/zinc/01/49/02/428014902.db2.gz VREFZBPIDDNBDN-INIZCTEOSA-N 2 0 311.514 2.735 20 0 DFADRP CCC[N@H+](CC)C[C@H](C)NC(=O)[C@@H](c1ccccc1)[NH+](C)CC ZINC000359776132 428014999 /nfs/dbraw/zinc/01/49/99/428014999.db2.gz VQADGZMMRFRDSX-FUHWJXTLSA-N 2 0 319.493 2.916 20 0 DFADRP CCC[N@H+](CC)C[C@H](C)NC(=O)c1cccc(C[NH+](C)C)c1 ZINC000359778304 428015391 /nfs/dbraw/zinc/01/53/91/428015391.db2.gz NIEGIPSJHUTBTR-HNNXBMFYSA-N 2 0 305.466 2.598 20 0 DFADRP Cn1cc(C[NH2+]CC2=CC[N@H+](C)CC2)c(-c2cccs2)n1 ZINC000359909953 428073378 /nfs/dbraw/zinc/07/33/78/428073378.db2.gz ZKFRKVHWYKRVQS-UHFFFAOYSA-N 2 0 302.447 2.500 20 0 DFADRP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+]1CCS[C@H](C)[C@H]1C ZINC000346219938 428077390 /nfs/dbraw/zinc/07/73/90/428077390.db2.gz NLBDBAOYRYYDTB-ZIAGYGMSSA-N 2 0 302.447 2.902 20 0 DFADRP CCCCOC(=O)CN1CCC[C@@H](c2ncc3n2CCCC3)C1 ZINC000370016055 428110201 /nfs/dbraw/zinc/11/02/01/428110201.db2.gz AALPWSWNAXQLPD-OAHLLOKOSA-N 2 0 319.449 2.742 20 0 DFADRP C[NH+]1[C@@H]2CC[C@H]1CC(NC[C@@H]1CC[N@@H+](C)[C@H]1c1ccccc1)C2 ZINC000377358320 428113091 /nfs/dbraw/zinc/11/30/91/428113091.db2.gz NCVYLYLYVCSZKI-BGVWBIDGSA-N 2 0 313.489 2.894 20 0 DFADRP CC[C@@H](C(=O)N[C@H](C[N@H+](C)Cc1ccccc1)C(C)C)[NH+](C)C ZINC000413717075 428117750 /nfs/dbraw/zinc/11/77/50/428117750.db2.gz VLBCSKFDAWYRAB-MSOLQXFVSA-N 2 0 319.493 2.599 20 0 DFADRP CC[N@@H+]1CC[C@@H]([NH+](C)CCc2ccc3c(c2)OCCO3)C[C@@H]1C ZINC000360027742 428125947 /nfs/dbraw/zinc/12/59/47/428125947.db2.gz OEDUBXUFULEGOL-DOTOQJQBSA-N 2 0 318.461 2.805 20 0 DFADRP [NH3+]CC[C@@H]1CCCC[N@@H+]1Cc1ccc(Oc2cnccn2)cc1 ZINC000352535181 428137944 /nfs/dbraw/zinc/13/79/44/428137944.db2.gz NRLLVEYVHKWBPL-INIZCTEOSA-N 2 0 312.417 2.972 20 0 DFADRP C[N@H+](CCN1CC[NH+](CCC2CC2)CC1)Cc1ccccc1 ZINC000360058169 428138505 /nfs/dbraw/zinc/13/85/05/428138505.db2.gz WOIZMSRMSCEHDL-UHFFFAOYSA-N 2 0 301.478 2.536 20 0 DFADRP CSC1(C[NH2+][C@H]2CS[C@H](C(C)C)C2)CC[NH+](C)CC1 ZINC000356356355 428139937 /nfs/dbraw/zinc/13/99/37/428139937.db2.gz FDMLPLZXYRNGKW-KGLIPLIRSA-N 2 0 302.553 2.934 20 0 DFADRP c1cn(-c2csc(C[N@@H+]3CCC[C@@]4(CC[NH2+]C4)C3)c2)cn1 ZINC000352540230 428142033 /nfs/dbraw/zinc/14/20/33/428142033.db2.gz IMKQVFVDKOVKMM-INIZCTEOSA-N 2 0 302.447 2.509 20 0 DFADRP c1cc(CCC[N@@H+]2CCC[C@@]3(CC[NH2+]C3)C2)cc2c1OCC2 ZINC000352540454 428142588 /nfs/dbraw/zinc/14/25/88/428142588.db2.gz LIEPMXBVGHUGQP-IBGZPJMESA-N 2 0 300.446 2.630 20 0 DFADRP [NH3+]CC[C@@H]1CCCCN1Cc1cc(O)ccc1Br ZINC000352546058 428145341 /nfs/dbraw/zinc/14/53/41/428145341.db2.gz OTMIGFSBGLMQJJ-LBPRGKRZSA-N 2 0 313.239 2.858 20 0 DFADRP CC[C@@H]([NH2+]CCCN1CC[NH+](Cc2ccccc2)CC1)C1CC1 ZINC000360072727 428146416 /nfs/dbraw/zinc/14/64/16/428146416.db2.gz RMDMXIDUTMWNOT-HXUWFJFHSA-N 2 0 315.505 2.973 20 0 DFADRP Cc1ccc(C[NH+](C)C)cc1NC(=O)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000346374799 428147311 /nfs/dbraw/zinc/14/73/11/428147311.db2.gz BMJCPZGBDREXHA-GOEBONIOSA-N 2 0 303.450 2.725 20 0 DFADRP C[NH+]1CCC2(CCC[N@H+](CC[C@H](O)c3ccccc3)C2)CC1 ZINC000377588017 428166656 /nfs/dbraw/zinc/16/66/56/428166656.db2.gz DJAZXUUSFJYLBO-SFHVURJKSA-N 2 0 302.462 2.918 20 0 DFADRP CC1=CCC[C@H](C)[C@@H]1C[N@@H+]1CCC[C@@H](CN2CC[NH+](C)CC2)C1 ZINC000377626752 428175949 /nfs/dbraw/zinc/17/59/49/428175949.db2.gz OGTBTFOVVMCUJF-SLFFLAALSA-N 2 0 319.537 2.938 20 0 DFADRP CCc1nc(C)cc(NC[C@@H](C)[N@@H+]2CCc3sccc3C2)n1 ZINC000341740746 428176961 /nfs/dbraw/zinc/17/69/61/428176961.db2.gz HKPGKNKSCANTTH-CYBMUJFWSA-N 2 0 316.474 3.268 20 0 DFADRP Cc1ccc(O)c(C[NH2+]C[C@@H]2CC[N@@H+](C)[C@H]2c2ccccc2)n1 ZINC000377758244 428218666 /nfs/dbraw/zinc/21/86/66/428218666.db2.gz BYOHNZNJLSIGQU-LPHOPBHVSA-N 2 0 311.429 2.878 20 0 DFADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CCCc2ccncc2)[C@H](C)C1 ZINC000346570904 428223089 /nfs/dbraw/zinc/22/30/89/428223089.db2.gz QAMOMHHTUDFMEK-IEBWSBKVSA-N 2 0 319.493 2.741 20 0 DFADRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+]C/C=C/c1ccc(F)c(F)c1 ZINC000352740844 428229084 /nfs/dbraw/zinc/22/90/84/428229084.db2.gz ASMRNVUAOTUZKD-NHZBNJEXSA-N 2 0 323.431 2.594 20 0 DFADRP C[C@@H]1CN(C2CC[NH+](CCSC(C)(C)C)CC2)CCO1 ZINC000370508649 428229112 /nfs/dbraw/zinc/22/91/12/428229112.db2.gz PZKJAICPSIUOIU-CQSZACIVSA-N 2 0 300.512 2.703 20 0 DFADRP C[C@@H]([NH2+]CC[C@@H]1CCC[N@H+](C)C1)c1ccc(-n2cncn2)cc1 ZINC000414187581 428229597 /nfs/dbraw/zinc/22/95/97/428229597.db2.gz QBITYAPASNRWBP-CVEARBPZSA-N 2 0 313.449 2.650 20 0 DFADRP C[N@@H+]1CCC[C@H](CC[NH2+][C@H]2CCC(=O)Nc3ccc(F)cc32)C1 ZINC000414203564 428232701 /nfs/dbraw/zinc/23/27/01/428232701.db2.gz ZMAHWBZBQSELPU-CJNGLKHVSA-N 2 0 319.424 2.921 20 0 DFADRP Cc1nn(Cc2ccccc2)c(C)c1C[NH+]1CCC(C[NH3+])CC1 ZINC000346604133 428235742 /nfs/dbraw/zinc/23/57/42/428235742.db2.gz AFOSMMNWXGLPSM-UHFFFAOYSA-N 2 0 312.461 2.719 20 0 DFADRP C[C@@H]([NH2+]CCC[N@@H+]1CCC[C@@H](C(N)=O)C1)C1CCCCCC1 ZINC000346605711 428236104 /nfs/dbraw/zinc/23/61/04/428236104.db2.gz NJUUDNITLBZLJY-NVXWUHKLSA-N 2 0 309.498 2.522 20 0 DFADRP CC(C)[C@H](C(=O)N1CCC[C@@H]1[C@H]1CCC[N@@H+]1C)[NH+]1CCCCC1 ZINC000377662073 428187293 /nfs/dbraw/zinc/18/72/93/428187293.db2.gz LVFPJNBWKOZATK-KZNAEPCWSA-N 2 0 321.509 2.582 20 0 DFADRP C[N@H+](Cc1cccc2nccn21)C1CCN(c2cc[nH+]cc2)CC1 ZINC000377694779 428198072 /nfs/dbraw/zinc/19/80/72/428198072.db2.gz HWWROCHCXLGUIQ-UHFFFAOYSA-N 2 0 321.428 2.830 20 0 DFADRP C[NH2+]CCC1CC[NH+](Cc2cnc([C@@H]3CCCO3)s2)CC1 ZINC000346663798 428263534 /nfs/dbraw/zinc/26/35/34/428263534.db2.gz XCSSRBAHEUWVME-HNNXBMFYSA-N 2 0 309.479 2.816 20 0 DFADRP CC(C)[C@@H]([NH3+])CCN(C)Cc1nc2c(s1)C[N@@H+](C(C)C)CC2 ZINC000346669471 428265000 /nfs/dbraw/zinc/26/50/00/428265000.db2.gz GKLALVRENRJBGU-AWEZNQCLSA-N 2 0 324.538 2.715 20 0 DFADRP CC[N@@H+]1CC[C@@H](NC2CC[NH+](CCc3ccc(F)cc3)CC2)C1 ZINC000414351942 428267544 /nfs/dbraw/zinc/26/75/44/428267544.db2.gz WHMVMHRYJBRSKE-LJQANCHMSA-N 2 0 319.468 2.516 20 0 DFADRP CC1=C[C@H](C)C[C@H](C[NH2+]CC2CC[NH+](CCN(C)C)CC2)C1 ZINC000352830385 428268604 /nfs/dbraw/zinc/26/86/04/428268604.db2.gz AHDNSZIETLRSMR-LPHOPBHVSA-N 2 0 307.526 2.842 20 0 DFADRP C[N@@H+]1CCN(Cc2cnc3ccccn23)C[C@@H]1Cc1ccccc1 ZINC000341989983 428271861 /nfs/dbraw/zinc/27/18/61/428271861.db2.gz JUCWMQQWTAOIPH-SFHVURJKSA-N 2 0 320.440 2.693 20 0 DFADRP C[C@@H]1C[C@@H]([NH2+]C[C@H]2CCN(c3ccc(F)c(F)c3)C2)CC[N@@H+]1C ZINC000370679582 428272130 /nfs/dbraw/zinc/27/21/30/428272130.db2.gz UJOVAEMLZLABQY-KFWWJZLASA-N 2 0 323.431 2.863 20 0 DFADRP C[C@H]1C[C@H](C[NH3+])C[N@@H+]1Cc1cnn(-c2ccc(Cl)cc2)c1 ZINC000346693729 428277894 /nfs/dbraw/zinc/27/78/94/428277894.db2.gz PFAIVMRYZCGNGE-QWHCGFSZSA-N 2 0 304.825 2.695 20 0 DFADRP OC[C@@H]1CCC[N@@H+]1C[C@@H]1CCCN1c1cc[nH+]c2ccccc21 ZINC000370723186 428283013 /nfs/dbraw/zinc/28/30/13/428283013.db2.gz SOYVSQARKFCKMP-HOTGVXAUSA-N 2 0 311.429 2.660 20 0 DFADRP C[N@@H+]1CCN(CC[NH2+]C/C=C\c2ccc(F)c(F)c2)CC1(C)C ZINC000352873626 428288880 /nfs/dbraw/zinc/28/88/80/428288880.db2.gz YBCUNDDPEGHCOX-PLNGDYQASA-N 2 0 323.431 2.594 20 0 DFADRP Cc1occc1C[NH2+]Cc1ccccc1C[N@@H+]1CCC[C@@H]1CO ZINC000414427067 428292584 /nfs/dbraw/zinc/29/25/84/428292584.db2.gz IQWUOXZUBDIDEO-LJQANCHMSA-N 2 0 314.429 2.835 20 0 DFADRP CC1CC[NH+](CC2CCN(CC(=O)c3cccn3C)CC2)CC1 ZINC000370760950 428293349 /nfs/dbraw/zinc/29/33/49/428293349.db2.gz OJUAGHJMRPRIBB-UHFFFAOYSA-N 2 0 317.477 2.652 20 0 DFADRP Cc1ccc(C[N@H+](C)CC2CCN(c3cc[nH+]cc3)CC2)nn1 ZINC000414431076 428294796 /nfs/dbraw/zinc/29/47/96/428294796.db2.gz KQMRXMUHZBMZRS-UHFFFAOYSA-N 2 0 311.433 2.528 20 0 DFADRP CCC[NH+]1CCC([NH2+][C@@H]2CCc3cn(C(C)C)nc3C2)CC1 ZINC000341879385 428242138 /nfs/dbraw/zinc/24/21/38/428242138.db2.gz UNMCWUZVCFTEAM-QGZVFWFLSA-N 2 0 304.482 2.785 20 0 DFADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]C[C@@H]2C[C@H](C)O[C@H]2C)[C@@H](C)C1 ZINC000414261498 428246155 /nfs/dbraw/zinc/24/61/55/428246155.db2.gz GZBQNWKTTPWNTJ-ATIWLJMLSA-N 2 0 312.498 2.527 20 0 DFADRP C[C@@H]([NH3+])[C@@H]1CCN(CC(C)(C)C[N@H+](C)Cc2ccccc2)C1 ZINC000346631832 428249514 /nfs/dbraw/zinc/24/95/14/428249514.db2.gz COOBTBUGLNGVNG-SJLPKXTDSA-N 2 0 303.494 2.814 20 0 DFADRP C[C@@H]1C[N@H+](C[C@H]2CCCO2)CC[C@H]1[NH2+]CCc1ccc(F)cc1 ZINC000370608336 428252747 /nfs/dbraw/zinc/25/27/47/428252747.db2.gz KEMGSCOZRQSXQI-ATZDWAIDSA-N 2 0 320.452 2.847 20 0 DFADRP COc1cccc(C[N@@H+]2CC[C@@H](C3CC[NH+](C)CC3)C2)c1F ZINC000377886282 428256847 /nfs/dbraw/zinc/25/68/47/428256847.db2.gz ZZCDKSMFDPVHPZ-OAHLLOKOSA-N 2 0 306.425 2.998 20 0 DFADRP CC[C@H]1CC[C@@H]1[NH2+]CC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000414310349 428258114 /nfs/dbraw/zinc/25/81/14/428258114.db2.gz SWCLKPIHPBLPCL-ROUUACIJSA-N 2 0 302.462 2.792 20 0 DFADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC1CC[NH+](C)CC1 ZINC000370633946 428259401 /nfs/dbraw/zinc/25/94/01/428259401.db2.gz JKKPHZHHPVLDCC-YLJYHZDGSA-N 3 0 315.505 2.828 20 0 DFADRP COc1ccc([C@H](C)[NH2+][C@@H]2CCN(C3CC[NH+](C)CC3)C2)cc1 ZINC000370635736 428259917 /nfs/dbraw/zinc/25/99/17/428259917.db2.gz PTKDVXHJHUBLRX-DOTOQJQBSA-N 2 0 317.477 2.514 20 0 DFADRP CC[C@H](C(=O)N1CCc2c1cccc2C[NH+]1CCCC1)[NH+](C)C ZINC000370644763 428262951 /nfs/dbraw/zinc/26/29/51/428262951.db2.gz GMXLGQNLXFUGKG-QGZVFWFLSA-N 2 0 315.461 2.512 20 0 DFADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]CCc1cc(F)c(F)c(F)c1 ZINC000356791510 428309535 /nfs/dbraw/zinc/30/95/35/428309535.db2.gz SZSHOISRFBBFOT-HFAKWTLXSA-N 2 0 300.368 2.965 20 0 DFADRP C[C@H]1CCC[N@@H+]1C1CCN(C[C@@H](O)c2ccccc2F)CC1 ZINC000370884304 428313359 /nfs/dbraw/zinc/31/33/59/428313359.db2.gz XXXRBGGFNZHKIY-KBXCAEBGSA-N 2 0 306.425 2.808 20 0 DFADRP [NH3+]CCN(c1ccc2ccccc2n1)[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000414485308 428313993 /nfs/dbraw/zinc/31/39/93/428313993.db2.gz HWXZEAKLLWVYOU-IAGOWNOFSA-N 2 0 310.445 2.627 20 0 DFADRP Cc1csc(N2CCCN(CC[C@H]3CCCC[N@H+]3C)CC2)n1 ZINC000378125368 428314389 /nfs/dbraw/zinc/31/43/89/428314389.db2.gz IBZMAVBEYFEBFZ-MRXNPFEDSA-N 2 0 322.522 2.838 20 0 DFADRP COc1ccc(CCC[NH2+][C@@H]2CC[N@H+](C)C[C@@H]2C)cc1OC ZINC000360485165 428317080 /nfs/dbraw/zinc/31/70/80/428317080.db2.gz STIASULHHRFELC-GOEBONIOSA-N 2 0 306.450 2.566 20 0 DFADRP CO[C@](C)([C@H](C)[NH2+]C1CCN(c2cc[nH+]cc2)CC1)C1CC1 ZINC000414498665 428320946 /nfs/dbraw/zinc/32/09/46/428320946.db2.gz INBARJHBXKTIHM-KBXCAEBGSA-N 2 0 303.450 2.844 20 0 DFADRP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]CCCOCCOCc1ccccc1 ZINC000356825800 428324447 /nfs/dbraw/zinc/32/44/47/428324447.db2.gz ATUZLVPSCQQVGO-MJGOQNOKSA-N 2 0 320.477 2.540 20 0 DFADRP CCCN(CC[NH+]1CCCC1)C(=O)c1cccc(C[NH+](C)C)c1 ZINC000342155760 428324785 /nfs/dbraw/zinc/32/47/85/428324785.db2.gz FFOAHZFLYDOJAI-UHFFFAOYSA-N 2 0 317.477 2.696 20 0 DFADRP C[C@H]([NH2+][C@@H]1CCCN(C)[C@H]1C)c1ccc(OCC[NH+](C)C)cc1 ZINC000346804836 428325494 /nfs/dbraw/zinc/32/54/94/428325494.db2.gz YFFWIWOAPVDYML-TXPKVOOTSA-N 2 0 319.493 2.760 20 0 DFADRP COc1ccc(OC)c([C@@H]2CCC[N@@H+]2C[C@@H]2CCC[NH2+]C2)c1 ZINC000346818226 428329194 /nfs/dbraw/zinc/32/91/94/428329194.db2.gz GYSVIWVBUWGOQA-PBHICJAKSA-N 2 0 304.434 2.840 20 0 DFADRP [NH3+][C@@H]1CC[C@H]2C[N@H+](Cc3c(F)cccc3N3CCCC3)C[C@H]12 ZINC000346826738 428335103 /nfs/dbraw/zinc/33/51/03/428335103.db2.gz MMPUXPOGZYPBQJ-GRDNDAEWSA-N 2 0 303.425 2.595 20 0 DFADRP C[C@H]1C[C@@H](CNC(=[NH2+])Nc2ccccn2)C[N@@H+]1Cc1ccccc1 ZINC000371017803 428341816 /nfs/dbraw/zinc/34/18/16/428341816.db2.gz UEZYUSHAJOLCKG-RDJZCZTQSA-N 2 0 323.444 2.928 20 0 DFADRP C[NH+](C)[C@H]1CCC[C@H]([NH2+]C2CCN(CCC(F)(F)F)CC2)C1 ZINC000356872832 428343067 /nfs/dbraw/zinc/34/30/67/428343067.db2.gz PHSUAROHTOQYBS-GJZGRUSLSA-N 2 0 321.431 2.866 20 0 DFADRP CC[C@H](C(=O)Nc1cccc(CC[N@H+](C)C2CC2)c1)[NH+](C)C ZINC000342206230 428348562 /nfs/dbraw/zinc/34/85/62/428348562.db2.gz ADHDZYGJTZVJJP-QGZVFWFLSA-N 2 0 303.450 2.602 20 0 DFADRP C[C@@H]1[NH2+]CCC[C@@H]1c1nc(-c2ccc(C[NH+](C)C)cc2)no1 ZINC000414620851 428356400 /nfs/dbraw/zinc/35/64/00/428356400.db2.gz LNXFQYBCVARBQW-WFASDCNBSA-N 2 0 300.406 2.654 20 0 DFADRP C[C@H]1C[N@H+](C)CC[C@H]1[NH2+]CCCCOCCc1ccccc1 ZINC000360440392 428299163 /nfs/dbraw/zinc/29/91/63/428299163.db2.gz BEIFIAOQHFEYFQ-PKOBYXMFSA-N 2 0 304.478 2.956 20 0 DFADRP COC(=O)[C@]12C[N@H+](CCC[NH+]3CCCCC3)C[C@H]1CCCC2 ZINC000342110124 428303703 /nfs/dbraw/zinc/30/37/03/428303703.db2.gz CVQKWGUBBJCHQY-SJLPKXTDSA-N 2 0 308.466 2.528 20 0 DFADRP C[C@@H]1CCCC[N@@H+]1CCC1CC[NH+](CC2CC[NH2+]CC2)CC1 ZINC000346972411 428388812 /nfs/dbraw/zinc/38/88/12/428388812.db2.gz HHDRBDQQIANXLI-QGZVFWFLSA-N 3 0 307.526 2.963 20 0 DFADRP CC(C)[NH+]1CCN(CCC[N@@H+]2CCC[C@@H]2c2cccnc2)CC1 ZINC000346970241 428389377 /nfs/dbraw/zinc/38/93/77/428389377.db2.gz GFDQQECAKACOJW-LJQANCHMSA-N 2 0 316.493 2.635 20 0 DFADRP c1ccc(OCc2cccnc2)c(CN2CC[C@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000357106265 428389410 /nfs/dbraw/zinc/38/94/10/428389410.db2.gz QDGNVJQYOXSEPP-PKOBYXMFSA-N 2 0 323.440 2.702 20 0 DFADRP CC(C)C[C@H]([NH3+])CN1CCC[C@H](c2cc(C(F)(F)F)n[nH]2)C1 ZINC000414740041 428390066 /nfs/dbraw/zinc/39/00/66/428390066.db2.gz CXIFZTSEDYPJEV-RYUDHWBXSA-N 2 0 318.387 2.981 20 0 DFADRP CC(C)(C)[NH2+]CCN(Cc1ccc(-n2cncn2)cc1)C1CC1 ZINC000414739264 428390519 /nfs/dbraw/zinc/39/05/19/428390519.db2.gz CBFALQXSCUPDJR-UHFFFAOYSA-N 2 0 313.449 2.620 20 0 DFADRP Cc1ncsc1C[N@@H+](C)C[C@@H]1CCN(C[C@@H]([NH3+])CC(C)C)C1 ZINC000414736877 428390846 /nfs/dbraw/zinc/39/08/46/428390846.db2.gz GUIYRSKPEYKKQN-HOTGVXAUSA-N 2 0 324.538 2.579 20 0 DFADRP Cc1nn(-c2cccc(F)c2)cc1C[N@@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000414737281 428390926 /nfs/dbraw/zinc/39/09/26/428390926.db2.gz NMJILZCPYNRUIH-HNNXBMFYSA-N 2 0 316.424 2.881 20 0 DFADRP Cc1nn(Cc2ccccc2)c(C)c1CN1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000357106989 428391003 /nfs/dbraw/zinc/39/10/03/428391003.db2.gz RMCGEEVLWMTERC-RBUKOAKNSA-N 2 0 324.472 2.590 20 0 DFADRP Cc1ncsc1C[N@@H+](C)C[C@@H]1CCN(C[C@H]([NH3+])CC(C)C)C1 ZINC000414736880 428391160 /nfs/dbraw/zinc/39/11/60/428391160.db2.gz GUIYRSKPEYKKQN-JKSUJKDBSA-N 2 0 324.538 2.579 20 0 DFADRP CC[C@@H](c1ccccc1)[N@@H+](CC(=O)OC)CC1CC[NH2+]CC1 ZINC000346975522 428391780 /nfs/dbraw/zinc/39/17/80/428391780.db2.gz JGQGJNIZEIJWHS-KRWDZBQOSA-N 2 0 304.434 2.612 20 0 DFADRP COC(=O)CCC[N@@H+](Cc1ccccc1)C[C@H]1CC[NH2+][C@@H](C)C1 ZINC000414751335 428392211 /nfs/dbraw/zinc/39/22/11/428392211.db2.gz INMTYYYXZNMPIB-WMZOPIPTSA-N 2 0 318.461 2.830 20 0 DFADRP CCOC(=O)[C@@H]1C[N@H+](C[C@H]2CC[NH2+][C@@H](C)C2)Cc2ccccc21 ZINC000414748305 428393386 /nfs/dbraw/zinc/39/33/86/428393386.db2.gz NXOHZULDJUVMNC-RLFYNMQTSA-N 2 0 316.445 2.537 20 0 DFADRP CCN(CCC[NH+](CC)CC)C(=O)C1CC[NH+](C(C)C)CC1 ZINC000357115253 428393984 /nfs/dbraw/zinc/39/39/84/428393984.db2.gz ZITOZIPSEPERPS-UHFFFAOYSA-N 2 0 311.514 2.687 20 0 DFADRP C[C@@H]1CCCC[N@@H+]1CCC1CC[NH+](C[C@@H]2CCC[NH2+]C2)CC1 ZINC000346983820 428394346 /nfs/dbraw/zinc/39/43/46/428394346.db2.gz NSZVNWTZPNOWDB-IEBWSBKVSA-N 3 0 307.526 2.963 20 0 DFADRP [NH3+][C@@H]1CCO[C@H]1C1CC[NH+](CCSCc2ccccc2)CC1 ZINC000414770153 428396878 /nfs/dbraw/zinc/39/68/78/428396878.db2.gz LJPUWYMHFZTRLB-MSOLQXFVSA-N 2 0 320.502 2.748 20 0 DFADRP CCC(C)(C)[NH2+][C@H](C)C(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000357117102 428397259 /nfs/dbraw/zinc/39/72/59/428397259.db2.gz CFIKJTSKQHNDRY-INMHGKMJSA-N 2 0 321.509 2.628 20 0 DFADRP c1cn2c(C[N@H+]3CC[C@H]4C[NH2+]C[C@H]4CC3)c(C3CC3)nc2s1 ZINC000414766914 428398309 /nfs/dbraw/zinc/39/83/09/428398309.db2.gz ITAGYZZQTBPNEE-OKILXGFUSA-N 2 0 316.474 2.705 20 0 DFADRP C[N@H+](Cc1ccc(-n2cnc3ccccc32)cc1)C1CC([NH3+])C1 ZINC000414768499 428399213 /nfs/dbraw/zinc/39/92/13/428399213.db2.gz IGYSYVHFOHNDLO-UHFFFAOYSA-N 2 0 306.413 2.947 20 0 DFADRP C[C@@H]1C[N@H+](CCCC2CCCC2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000360689028 428400200 /nfs/dbraw/zinc/40/02/00/428400200.db2.gz DPNYVZXGKGNOBR-IEBWSBKVSA-N 2 0 307.526 2.915 20 0 DFADRP C[C@H](C[N@@H+]1C[C@H](C[NH3+])C2(C1)CCOCC2)c1ccc(F)cc1 ZINC000414774065 428400467 /nfs/dbraw/zinc/40/04/67/428400467.db2.gz FDPLXHZQGAUMCE-ZBFHGGJFSA-N 2 0 306.425 2.617 20 0 DFADRP CC[NH+](CC)CCO[C@@H]1CC[N@H+](CCc2ccccc2F)C1 ZINC000346995502 428400713 /nfs/dbraw/zinc/40/07/13/428400713.db2.gz WNRJXUXIWFEONT-QGZVFWFLSA-N 2 0 308.441 2.801 20 0 DFADRP COC(=O)c1ccc(Cl)c(C[N@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)c1 ZINC000414775092 428400865 /nfs/dbraw/zinc/40/08/65/428400865.db2.gz ZHDXQRWISHVONV-OKILXGFUSA-N 2 0 322.836 2.558 20 0 DFADRP c1nc([C@@H]2CCCO2)sc1C[N@@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000414773078 428401321 /nfs/dbraw/zinc/40/13/21/428401321.db2.gz CTYDDMYRJAPCLL-LZWOXQAQSA-N 2 0 321.490 2.816 20 0 DFADRP c1cn(Cc2ccccc2)c(C[N@@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)n1 ZINC000414775792 428403731 /nfs/dbraw/zinc/40/37/31/428403731.db2.gz GWJKOQWGAAHAFH-OALUTQOASA-N 2 0 324.472 2.753 20 0 DFADRP CC(C)c1ccc(NC(=O)C[C@H](C)[NH2+]C2CC[NH2+]CC2)cc1 ZINC000414783268 428407250 /nfs/dbraw/zinc/40/72/50/428407250.db2.gz QJOKISKBJPPKRR-AWEZNQCLSA-N 2 0 303.450 2.869 20 0 DFADRP COCCOc1cccc(C[N@@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)c1 ZINC000414784982 428407340 /nfs/dbraw/zinc/40/73/40/428407340.db2.gz RXODUMZWEZBCJW-ROUUACIJSA-N 2 0 318.461 2.533 20 0 DFADRP COc1ccc(C[N@@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)cc1OC ZINC000414785037 428407563 /nfs/dbraw/zinc/40/75/63/428407563.db2.gz SBDRMZWHEKTVEM-HZPDHXFCSA-N 2 0 304.434 2.525 20 0 DFADRP c1cc(C[N@@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)n(-c2ccccc2)n1 ZINC000414783144 428408098 /nfs/dbraw/zinc/40/80/98/428408098.db2.gz PKCWOJIVEWNVJM-IRXDYDNUSA-N 2 0 310.445 2.694 20 0 DFADRP [NH3+]C[C@@H]1C[N@H+](Cc2ccc(C(F)F)cc2)CC12CCOCC2 ZINC000414788889 428408888 /nfs/dbraw/zinc/40/88/88/428408888.db2.gz XLRWSTIRDPGGDQ-OAHLLOKOSA-N 2 0 310.388 2.812 20 0 DFADRP [NH3+]C[C@@H]1C[N@H+](CCCCOc2ccccc2)CC12CCOCC2 ZINC000414789680 428409679 /nfs/dbraw/zinc/40/96/79/428409679.db2.gz YLDQRYHQUJNNSZ-QGZVFWFLSA-N 2 0 318.461 2.533 20 0 DFADRP c1nc(-c2ccccc2)[nH]c1C[N@@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000414789270 428411401 /nfs/dbraw/zinc/41/14/01/428411401.db2.gz YHKNACVJYJHUHW-IRXDYDNUSA-N 2 0 310.445 2.898 20 0 DFADRP CC(C)Cc1ncc(C[N@@H+]2C[C@H](C[NH3+])C3(C2)CCOCC3)s1 ZINC000414787822 428411476 /nfs/dbraw/zinc/41/14/76/428411476.db2.gz WCFMMLZTLHUMDW-AWEZNQCLSA-N 2 0 323.506 2.529 20 0 DFADRP Cc1nn(-c2cccc(F)c2)cc1C[NH2+][C@H]1CCC[C@H]1C[NH3+] ZINC000414791982 428412143 /nfs/dbraw/zinc/41/21/43/428412143.db2.gz BSNARGDLEDXAGH-GUYCJALGSA-N 2 0 302.397 2.537 20 0 DFADRP [NH3+]C[C@H]1CCCC[C@@H]1[NH2+]C1CCN(CCC(F)(F)F)CC1 ZINC000414794159 428413214 /nfs/dbraw/zinc/41/32/14/428413214.db2.gz FHGGVECMNXOYOY-OCCSQVGLSA-N 2 0 307.404 2.510 20 0 DFADRP C[C@@H]([NH2+]CC[C@H]1CCOC1)c1ccc(OCC[NH+](C)C)cc1 ZINC000346893656 428362107 /nfs/dbraw/zinc/36/21/07/428362107.db2.gz YBIDQMHFULIQHM-CVEARBPZSA-N 2 0 306.450 2.704 20 0 DFADRP CC[C@@H]([NH2+]CC[C@@H](C)[NH+]1CCCCC1)C1(C(=O)OC)CCC1 ZINC000346894716 428363141 /nfs/dbraw/zinc/36/31/41/428363141.db2.gz YTIOJEHBNHWTAT-HZPDHXFCSA-N 2 0 310.482 2.962 20 0 DFADRP Cc1cccc(CN2CC[NH+](C[C@H]3CC[NH2+][C@H](C)C3)CC2)c1 ZINC000414672567 428369696 /nfs/dbraw/zinc/36/96/96/428369696.db2.gz ATNFYYRQSHVZBI-MJGOQNOKSA-N 2 0 301.478 2.501 20 0 DFADRP COC(=O)[C@H](C)CN(CC[NH2+]C(C)(C)C)Cc1ccccc1 ZINC000414673747 428370125 /nfs/dbraw/zinc/37/01/25/428370125.db2.gz JQFHMAAMCQSHBG-OAHLLOKOSA-N 2 0 306.450 2.686 20 0 DFADRP C[C@H](c1cccc(Cl)c1)[N@H+](C)C[C@@H]1CCCN(C(=O)C[NH3+])C1 ZINC000414670247 428370287 /nfs/dbraw/zinc/37/02/87/428370287.db2.gz CSROAWDXTGIETD-KGLIPLIRSA-N 2 0 323.868 2.530 20 0 DFADRP C[C@@H]1C[C@@H](C[NH+]2CCN(Cc3ccccc3Cl)CC2)CC[NH2+]1 ZINC000414672328 428370885 /nfs/dbraw/zinc/37/08/85/428370885.db2.gz HFJDCJUUMUMWET-CVEARBPZSA-N 2 0 321.896 2.846 20 0 DFADRP COC(=O)[C@H](C)C[N@@H+](Cc1ccccc1)C[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000414676049 428372567 /nfs/dbraw/zinc/37/25/67/428372567.db2.gz MTPNIUIEMABPTO-SOLBZPMBSA-N 2 0 318.461 2.686 20 0 DFADRP C[C@@H]1C[C@@H](C[N@@H+]2CCC[C@@H]2c2ccc3c(c2)OCCO3)CC[NH2+]1 ZINC000414681369 428373837 /nfs/dbraw/zinc/37/38/37/428373837.db2.gz OXUTZSDTNSCNNR-HLLBOEOZSA-N 2 0 316.445 2.983 20 0 DFADRP C[C@H]1C[C@@H](C[NH+]2CCN(Cc3ccc(Cl)cc3)CC2)CC[NH2+]1 ZINC000414677344 428374051 /nfs/dbraw/zinc/37/40/51/428374051.db2.gz IZARNXULWRBIKM-RDJZCZTQSA-N 2 0 321.896 2.846 20 0 DFADRP C[C@@H]1C[C@H](C[N@H+](CCCO)[C@H]2CCc3ccccc32)CC[NH2+]1 ZINC000414688017 428374662 /nfs/dbraw/zinc/37/46/62/428374662.db2.gz CYCXRZQNPFGDKJ-MDZRGWNJSA-N 2 0 302.462 2.746 20 0 DFADRP COCC[N@H+](CCCc1ccccc1)C[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000414685620 428376091 /nfs/dbraw/zinc/37/60/91/428376091.db2.gz CZPQBJBZGMKMAC-PKOBYXMFSA-N 2 0 304.478 2.956 20 0 DFADRP C(CC1CCOCC1)C[NH+]1CCC(OCC[NH+]2CCCC2)CC1 ZINC000346934693 428376829 /nfs/dbraw/zinc/37/68/29/428376829.db2.gz OENIIGRJVBFLHT-UHFFFAOYSA-N 2 0 324.509 2.770 20 0 DFADRP COc1ccc(OCCC[NH+]2CCC([C@@H]3CC[NH2+]C3)CC2)cc1 ZINC000357069036 428378076 /nfs/dbraw/zinc/37/80/76/428378076.db2.gz FFDDQVZRBWDWSY-QGZVFWFLSA-N 2 0 318.461 2.786 20 0 DFADRP Cc1cc(C)n(C[C@@H]2CCCC[NH+]2CC[C@@H]2CCC[N@H+]2C)n1 ZINC000371205844 428378957 /nfs/dbraw/zinc/37/89/57/428378957.db2.gz VMJJALJREMXLAV-ROUUACIJSA-N 2 0 304.482 2.839 20 0 DFADRP [NH3+]C[C@@H]1C[N@H+](CCSCc2ccccc2)CC12CCOCC2 ZINC000414790484 428413614 /nfs/dbraw/zinc/41/36/14/428413614.db2.gz ZXEVQIMCCXHNCX-QGZVFWFLSA-N 2 0 320.502 2.607 20 0 DFADRP CCCNC(=O)[C@@H](C)[NH+]1CCC(CC[N@H+](CC)CC2CC2)CC1 ZINC000357070732 428380058 /nfs/dbraw/zinc/38/00/58/428380058.db2.gz APUTUWBAEYKRLR-MRXNPFEDSA-N 2 0 323.525 2.735 20 0 DFADRP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@@H+]2Cc1cccc2[nH]ccc21 ZINC000378367795 428381346 /nfs/dbraw/zinc/38/13/46/428381346.db2.gz DYGBPWZUQLKWBT-ATZDWAIDSA-N 2 0 313.445 2.851 20 0 DFADRP C[C@@H]1C[C@@H](C[N@@H+]2CCO[C@H](CCc3ccccc3)C2)CC[NH2+]1 ZINC000414702400 428381382 /nfs/dbraw/zinc/38/13/82/428381382.db2.gz BJIVGDKPAZXEDY-NZSAHSFTSA-N 2 0 302.462 2.708 20 0 DFADRP COc1cc2c(cc1OC)CC[NH+](CC[C@H]1CCC[N@@H+]1C)CC2 ZINC000371325282 428381499 /nfs/dbraw/zinc/38/14/99/428381499.db2.gz DJLQQUFUGIHWNM-QGZVFWFLSA-N 2 0 318.461 2.589 20 0 DFADRP CCS[C@H](C)c1noc(CN(C)C[C@@H]2CC[NH2+][C@@H](C)C2)n1 ZINC000414714908 428382513 /nfs/dbraw/zinc/38/25/13/428382513.db2.gz WCLCBDNBCAERLL-YNEHKIRRSA-N 2 0 312.483 2.704 20 0 DFADRP C[C@H]1C[C@H](C[NH2+]C2(c3ccc(F)cc3F)CCOCC2)CC[NH2+]1 ZINC000414711852 428382648 /nfs/dbraw/zinc/38/26/48/428382648.db2.gz RSAQAIPHLSCZAC-UONOGXRCSA-N 2 0 324.415 2.948 20 0 DFADRP C[C@@H](c1ccsc1)N1CC[NH+](C[C@H]2CC[NH2+][C@H](C)C2)CC1 ZINC000414714863 428383259 /nfs/dbraw/zinc/38/32/59/428383259.db2.gz QLAYUEOWCFUBLD-PMPSAXMXSA-N 2 0 307.507 2.815 20 0 DFADRP Clc1ccc(C2([NH2+]C[C@@H]3CCC[NH2+]C3)CCOCC2)cc1 ZINC000346962156 428383991 /nfs/dbraw/zinc/38/39/91/428383991.db2.gz APUDEGAMTUZYAA-CQSZACIVSA-N 2 0 308.853 2.935 20 0 DFADRP C[C@@H]1C[C@@H](C[N@@H+]2CCc3c(cnn3-c3ccccc3)C2)CC[NH2+]1 ZINC000414713062 428384141 /nfs/dbraw/zinc/38/41/41/428384141.db2.gz VQQWUIFWQDRTFR-CVEARBPZSA-N 2 0 310.445 2.619 20 0 DFADRP COc1c(C)cnc(C[NH+]2CCC([C@@H]3CC[NH2+]C3)CC2)c1C ZINC000357092765 428384676 /nfs/dbraw/zinc/38/46/76/428384676.db2.gz XLHCXSDLPBTCRN-MRXNPFEDSA-N 2 0 303.450 2.529 20 0 DFADRP Clc1ccc(C2([NH2+]C[C@H]3CCC[NH2+]C3)CCOCC2)cc1 ZINC000346962153 428385066 /nfs/dbraw/zinc/38/50/66/428385066.db2.gz APUDEGAMTUZYAA-AWEZNQCLSA-N 2 0 308.853 2.935 20 0 DFADRP CCc1ccc(NC(=O)C[NH+]2CCC([C@@H]3CC[NH2+]C3)CC2)cc1 ZINC000357102157 428387410 /nfs/dbraw/zinc/38/74/10/428387410.db2.gz IRLRNYSBNSHJRJ-QGZVFWFLSA-N 2 0 315.461 2.509 20 0 DFADRP COc1cccc(C[NH2+]CC[C@H]2CCC[NH2+]C2)c1OC(F)F ZINC000414854509 428433576 /nfs/dbraw/zinc/43/35/76/428433576.db2.gz UJHPGJROPYELLR-GFCCVEGCSA-N 2 0 314.376 2.776 20 0 DFADRP [NH3+]C[C@H]1CC[N@H+](Cc2ccc(-n3cnc4ccccc43)cc2)C1 ZINC000347075967 428434905 /nfs/dbraw/zinc/43/49/05/428434905.db2.gz UVMGNEINHCSNFR-MRXNPFEDSA-N 2 0 306.413 2.806 20 0 DFADRP CSC1(C[NH2+]Cc2ccc(F)c(F)c2)CC[NH+](C)CC1 ZINC000353217641 428435288 /nfs/dbraw/zinc/43/52/88/428435288.db2.gz ZOEKGWOVFWGDMQ-UHFFFAOYSA-N 2 0 300.418 2.882 20 0 DFADRP COc1cc(C[NH2+]CC[C@@H]2CCC[NH2+]C2)cc(Cl)c1OC ZINC000414854927 428435301 /nfs/dbraw/zinc/43/53/01/428435301.db2.gz VOXKEZBCTUYAKP-LBPRGKRZSA-N 2 0 312.841 2.837 20 0 DFADRP C[N@H+](Cc1ccccc1)CC(C)(C)CN1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000347073694 428435475 /nfs/dbraw/zinc/43/54/75/428435475.db2.gz RZKZAJCCWDCCGE-MOPGFXCFSA-N 2 0 315.505 2.971 20 0 DFADRP CCOc1ccc(C[NH2+][C@H](C)[C@H]2CCC[NH2+]C2)cc1OCC ZINC000414854689 428436954 /nfs/dbraw/zinc/43/69/54/428436954.db2.gz MEYILUZGYVCMBW-ZBFHGGJFSA-N 2 0 306.450 2.962 20 0 DFADRP COc1cc(C[NH2+]C[C@@H](C)C[NH3+])ccc1OCc1ccccc1 ZINC000414869641 428439585 /nfs/dbraw/zinc/43/95/85/428439585.db2.gz BBCMBQCDMAVVJJ-HNNXBMFYSA-N 2 0 314.429 2.959 20 0 DFADRP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NCc2cccs2)cc1 ZINC000414875951 428440739 /nfs/dbraw/zinc/44/07/39/428440739.db2.gz CPJHQMANGHVSFJ-IRXDYDNUSA-N 2 0 302.443 2.992 20 0 DFADRP O=c1[nH]c2ccccc2cc1CNCCC[NH2+]Cc1cccnc1 ZINC000414876845 428441549 /nfs/dbraw/zinc/44/15/49/428441549.db2.gz LFJKSDGXFQCJRS-UHFFFAOYSA-N 2 0 322.412 2.605 20 0 DFADRP COCCCOc1cccc(C[NH+]2CCC([C@H](C)[NH3+])CC2)c1 ZINC000347098504 428445351 /nfs/dbraw/zinc/44/53/51/428445351.db2.gz IVWIIALROXFMRB-HNNXBMFYSA-N 2 0 306.450 2.661 20 0 DFADRP CC[NH+]1CCN(c2ccccc2C[N@H+](C)Cc2cccnc2)CC1 ZINC000357231429 428445426 /nfs/dbraw/zinc/44/54/26/428445426.db2.gz LFWLKTLTIHRTSZ-UHFFFAOYSA-N 2 0 324.472 2.856 20 0 DFADRP C[NH+](C)CC[C@H](NC(=O)C1C[C@H]2CCC[C@@H](C1)C2[NH3+])C(C)(C)C ZINC000357229314 428446163 /nfs/dbraw/zinc/44/61/63/428446163.db2.gz VPCRVDTUCTUPQU-YKDOHLLJSA-N 2 0 323.525 2.623 20 0 DFADRP [NH3+]C[C@H]1CCC[N@H+](Cc2ccc(OCc3ccncc3)cc2)C1 ZINC000347109549 428448668 /nfs/dbraw/zinc/44/86/68/428448668.db2.gz NOSVBOMTKSKYED-GOSISDBHSA-N 2 0 311.429 2.831 20 0 DFADRP COc1cc(Br)ccc1C[NH2+][C@@H]1CCC[C@@H]([NH3+])C1 ZINC000414908554 428451492 /nfs/dbraw/zinc/45/14/92/428451492.db2.gz BOHOCIDXJCXBAI-CHWSQXEVSA-N 2 0 313.239 2.817 20 0 DFADRP Cn1cc(C[NH2+]CC2(C)CC[NH2+]CC2)c(-c2cccs2)n1 ZINC000414906524 428453264 /nfs/dbraw/zinc/45/32/64/428453264.db2.gz QBUPSBZIOUHKKT-UHFFFAOYSA-N 2 0 304.463 2.628 20 0 DFADRP C[C@@H](CC(=O)Nc1cccc(Cl)c1)[NH2+]CC[C@H]1CCC[NH2+]1 ZINC000414910449 428454130 /nfs/dbraw/zinc/45/41/30/428454130.db2.gz VNGSBEQPNMHSLK-GXTWGEPZSA-N 2 0 309.841 2.789 20 0 DFADRP [NH3+]CCN(CCO)Cc1ccc(-c2ccc(Cl)cc2)s1 ZINC000414911187 428454589 /nfs/dbraw/zinc/45/45/89/428454589.db2.gz HYQLFYHYIWMPLE-UHFFFAOYSA-N 2 0 310.850 2.822 20 0 DFADRP FC(F)(F)COc1ccc(C[NH2+][C@H]2CCC[NH2+]CC2)cc1 ZINC000414918913 428456762 /nfs/dbraw/zinc/45/67/62/428456762.db2.gz SZBBIVODXFFGPE-ZDUSSCGKSA-N 2 0 302.340 2.859 20 0 DFADRP COCC[C@H](Cc1cccc(F)c1)[NH2+]C[C@]1(C)CCC[NH2+]C1 ZINC000414920065 428457354 /nfs/dbraw/zinc/45/73/54/428457354.db2.gz YLCKYERDFOGZKZ-QZTJIDSGSA-N 2 0 308.441 2.753 20 0 DFADRP CC[NH+]1CCN(c2ccccc2CNc2ccc(C[NH3+])cc2)CC1 ZINC000414918071 428457846 /nfs/dbraw/zinc/45/78/46/428457846.db2.gz XIRAGRKXBLYRML-UHFFFAOYSA-N 2 0 324.472 2.899 20 0 DFADRP COc1ccc(C[NH2+][C@@H]2CCC[C@@H]([NH3+])C2)cc1OC(F)F ZINC000414924315 428458961 /nfs/dbraw/zinc/45/89/61/428458961.db2.gz JTDBRDKYPCLGPY-VXGBXAGGSA-N 2 0 300.349 2.656 20 0 DFADRP COc1cc(C[NH2+][C@@H]2CCC[C@@H]([NH3+])C2)ccc1OC(F)F ZINC000414936264 428463069 /nfs/dbraw/zinc/46/30/69/428463069.db2.gz ZDXQGRBDNLEDND-VXGBXAGGSA-N 2 0 300.349 2.656 20 0 DFADRP COc1ccc(OCC[N@@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)cc1 ZINC000386779047 428463610 /nfs/dbraw/zinc/46/36/10/428463610.db2.gz JCAXDUCHBRXUNA-QAPCUYQASA-N 2 0 304.434 2.538 20 0 DFADRP CCC(C)(C)[NH2+][C@H](C)C(=O)NCC(C)(C)[N@@H+]1CCC[C@@H](C)C1 ZINC000347031513 428416037 /nfs/dbraw/zinc/41/60/37/428416037.db2.gz CCYXPOSHNMYLGL-HUUCEWRRSA-N 2 0 311.514 2.780 20 0 DFADRP Cc1ccc(NC(=O)C[C@H](C)[NH2+]C[C@@H]([NH3+])C(C)C)cc1Cl ZINC000414802808 428417378 /nfs/dbraw/zinc/41/73/78/428417378.db2.gz VYLGVDYXHJGXAF-SWLSCSKDSA-N 2 0 311.857 2.938 20 0 DFADRP COC[C@]1(C[NH2+][C@H]2CC[C@@](C)(c3ccccc3)C2)CCC[NH2+]1 ZINC000414950109 428469720 /nfs/dbraw/zinc/46/97/20/428469720.db2.gz DOUJBSIIQPUSKT-IPMKNSEASA-N 2 0 302.462 2.855 20 0 DFADRP C[C@H](CC(=O)Nc1ccc(F)cc1)[NH2+][C@H]1CCCC[C@@H]1C[NH3+] ZINC000414811012 428419580 /nfs/dbraw/zinc/41/95/80/428419580.db2.gz VWBVDZRMEVPQIT-IOASZLSFSA-N 2 0 307.413 2.650 20 0 DFADRP CCc1nn(C)c(CC)c1C[NH2+]Cc1ccc([C@H](C)[NH3+])cc1 ZINC000414811624 428419628 /nfs/dbraw/zinc/41/96/28/428419628.db2.gz PZMREFPFYFIUIQ-ZDUSSCGKSA-N 2 0 300.450 2.854 20 0 DFADRP CC(C)([NH3+])C[NH2+]C1CCN(Cc2c(F)cccc2Cl)CC1 ZINC000414808042 428419650 /nfs/dbraw/zinc/41/96/50/428419650.db2.gz SBHDQIDFQXWWFI-UHFFFAOYSA-N 2 0 313.848 2.770 20 0 DFADRP C[C@H]1C[N@H+](Cc2ccc(OCc3ccncc3)cc2)CC[C@H]1[NH3+] ZINC000347043420 428421346 /nfs/dbraw/zinc/42/13/46/428421346.db2.gz MQYJLZKLULBQGT-HNAYVOBHSA-N 2 0 311.429 2.830 20 0 DFADRP C[C@@H]1C[N@H+](Cc2ccc(OCC(F)(F)F)cc2)CC[C@H]1[NH3+] ZINC000347044522 428421683 /nfs/dbraw/zinc/42/16/83/428421683.db2.gz NELIODLAHSFPGG-BXUZGUMPSA-N 2 0 302.340 2.797 20 0 DFADRP Cc1nn(Cc2ccc(C)cc2)c(C)c1C[NH2+]CC[C@@H](C)[NH3+] ZINC000414818231 428421822 /nfs/dbraw/zinc/42/18/22/428421822.db2.gz DHHQNXHSGFHHLA-CQSZACIVSA-N 2 0 300.450 2.684 20 0 DFADRP C[C@H]([NH2+]Cc1ccc(-c2cnn(C)c2)s1)[C@@H]1CCC[NH2+]C1 ZINC000414817498 428422641 /nfs/dbraw/zinc/42/26/41/428422641.db2.gz ARIBSEQRCUQEDY-QWHCGFSZSA-N 2 0 304.463 2.626 20 0 DFADRP C[C@H]1C[N@H+](Cc2ccc(OCC(F)(F)F)cc2)CC[C@@H]1[NH3+] ZINC000347044529 428423532 /nfs/dbraw/zinc/42/35/32/428423532.db2.gz NELIODLAHSFPGG-FZMZJTMJSA-N 2 0 302.340 2.797 20 0 DFADRP Fc1ccc(C[NH2+]CC[C@H]2CC[NH2+]C2)c(Br)c1 ZINC000414826809 428423841 /nfs/dbraw/zinc/42/38/41/428423841.db2.gz GEKXWGGNUYGISG-SNVBAGLBSA-N 2 0 301.203 2.677 20 0 DFADRP C[C@H](Cc1ccc(Br)cc1F)[NH2+]CC[C@H](C)[NH3+] ZINC000414825187 428424069 /nfs/dbraw/zinc/42/40/69/428424069.db2.gz SBWZKOILDDPERT-VHSXEESVSA-N 2 0 303.219 2.846 20 0 DFADRP COc1cc(OC)c(OC)cc1CNC[C@H]([NH3+])c1ccccc1 ZINC000414835277 428427867 /nfs/dbraw/zinc/42/78/67/428427867.db2.gz RJXWGPOTFYHWNH-HNNXBMFYSA-N 2 0 316.401 2.502 20 0 DFADRP C[NH+]1CCC2(CCC[N@@H+]2Cc2ccc(-c3cc[nH]n3)o2)CC1 ZINC000378569762 428428034 /nfs/dbraw/zinc/42/80/34/428428034.db2.gz HQNOKRJAICCNSW-UHFFFAOYSA-N 2 0 300.406 2.730 20 0 DFADRP C[C@@H]1C[C@@H](NC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC[N@@H+]1Cc1ccccc1 ZINC000414831142 428428113 /nfs/dbraw/zinc/42/81/13/428428113.db2.gz PPELVLMRTMMMGY-FXAKRSSYSA-N 2 0 313.489 2.912 20 0 DFADRP Cc1nn(-c2ccc(Cl)cc2)cc1C[NH2+]CC[C@H]1CC[NH2+]C1 ZINC000414832774 428428419 /nfs/dbraw/zinc/42/84/19/428428419.db2.gz OUMSTOUSTADMDX-CQSZACIVSA-N 2 0 318.852 2.923 20 0 DFADRP C[NH2+]C[C@H](C)C[NH2+][C@@H](C)CC(=O)Nc1cc(Cl)ccc1C ZINC000414838074 428429386 /nfs/dbraw/zinc/42/93/86/428429386.db2.gz KTFFURVBZYLWQE-AAEUAGOBSA-N 2 0 311.857 2.811 20 0 DFADRP CCC[N@H+](Cc1ccc(N2CCCC2)nc1)C1CC[NH2+]CC1 ZINC000347057547 428429367 /nfs/dbraw/zinc/42/93/67/428429367.db2.gz WDUUHCNFXFHGKF-UHFFFAOYSA-N 2 0 302.466 2.646 20 0 DFADRP C[N@H+](Cc1ccccc1)CC(C)(C)CNC[C@H]1CCC[NH2+]C1 ZINC000414838620 428429581 /nfs/dbraw/zinc/42/95/81/428429581.db2.gz XBINYFHGVPXGJC-SFHVURJKSA-N 2 0 303.494 2.734 20 0 DFADRP Cc1cccc(NC(=O)C[C@H](C)[NH2+]C[C@@H]2CCC[NH2+]C2)c1C ZINC000414841036 428429606 /nfs/dbraw/zinc/42/96/06/428429606.db2.gz YUCBOFGDNFDRBR-GOEBONIOSA-N 2 0 303.450 2.610 20 0 DFADRP Fc1cc(C[NH2+]CC[C@@H]2CC[NH2+]C2)ccc1Br ZINC000414842801 428430106 /nfs/dbraw/zinc/43/01/06/428430106.db2.gz ZLMCPKNVKXQZPU-JTQLQIEISA-N 2 0 301.203 2.677 20 0 DFADRP CCOc1ccc(C[NH2+]CC[C@@H]2CCC[NH2+]C2)cc1OCC ZINC000414843091 428431349 /nfs/dbraw/zinc/43/13/49/428431349.db2.gz BVWJKYAUVZDANU-HNNXBMFYSA-N 2 0 306.450 2.963 20 0 DFADRP CSc1cc2c(cc1C[NH2+]CC[C@@H]1CCC[NH2+]C1)OCCO2 ZINC000414854046 428432818 /nfs/dbraw/zinc/43/28/18/428432818.db2.gz SZINCTJXVIMPLR-ZDUSSCGKSA-N 2 0 322.474 2.659 20 0 DFADRP CCCOc1ccc(C[NH2+]CC[C@H]2CCC[NH2+]C2)cc1OC ZINC000414846406 428433075 /nfs/dbraw/zinc/43/30/75/428433075.db2.gz HCTLIVLSUISPMY-OAHLLOKOSA-N 2 0 306.450 2.963 20 0 DFADRP C[NH2+]C[C@H](C)CNC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000414847446 428433136 /nfs/dbraw/zinc/43/31/36/428433136.db2.gz VVUIAZLDVQOQFQ-UXDRXVOSSA-N 2 0 301.478 2.627 20 0 DFADRP Cc1ccc(NC(=O)C[C@H](C)[NH2+][C@H](C)[C@@H]2CCC[NH2+]C2)c(C)c1 ZINC000414853007 428433380 /nfs/dbraw/zinc/43/33/80/428433380.db2.gz KKQGFXNBNAMRBZ-GVDBMIGSSA-N 2 0 317.477 2.998 20 0 DFADRP COCC1(C[NH2+]Cc2ncc(C(C)(C)C)s2)CC[NH2+]CC1 ZINC000414982503 428480777 /nfs/dbraw/zinc/48/07/77/428480777.db2.gz YGBNVSHITUPVGM-UHFFFAOYSA-N 2 0 311.495 2.546 20 0 DFADRP Cc1[nH+]ccc(NC2CCN(c3ccccn3)CC2)c1Cl ZINC000357323694 428481403 /nfs/dbraw/zinc/48/14/03/428481403.db2.gz MVGVGHUQJRJTAN-UHFFFAOYSA-N 2 0 302.809 2.941 20 0 DFADRP Cc1nn(-c2cccc(F)c2)cc1C[NH2+]C[C@H]1CCC[C@@H]([NH3+])C1 ZINC000414990725 428482478 /nfs/dbraw/zinc/48/24/78/428482478.db2.gz AMYDCBZXBXOGGJ-WMLDXEAASA-N 2 0 316.424 2.927 20 0 DFADRP CCn1ccnc1CN1CCC[N@H+](CCC2CCCC2)CC1 ZINC000372650019 428483004 /nfs/dbraw/zinc/48/30/04/428483004.db2.gz OXDVQMYDUGOLAD-UHFFFAOYSA-N 2 0 304.482 2.991 20 0 DFADRP CC[C@H]([NH3+])C[NH2+][C@H](C)Cc1ccc(Br)c(F)c1 ZINC000414996248 428483145 /nfs/dbraw/zinc/48/31/45/428483145.db2.gz XGVKHYUUHJILPG-KOLCDFICSA-N 2 0 303.219 2.846 20 0 DFADRP CCOc1ccc(C[NH2+][C@@H]2C[C@H]2C2CC[NH2+]CC2)cc1OCC ZINC000415002950 428485015 /nfs/dbraw/zinc/48/50/15/428485015.db2.gz FEZIMYUTHULULL-DLBZAZTESA-N 2 0 318.461 2.962 20 0 DFADRP C[C@@H]1CCCC[C@H]1[NH+]1CCC(N[C@@H]2C[NH2+]CCC2(F)F)CC1 ZINC000415000530 428486064 /nfs/dbraw/zinc/48/60/64/428486064.db2.gz LFXFVNOSFIWHKJ-FVQBIDKESA-N 2 0 315.452 2.616 20 0 DFADRP c1cc(OCC2CC2)ccc1C[NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000415002384 428486391 /nfs/dbraw/zinc/48/63/91/428486391.db2.gz DEZGXRPQEWBZAJ-RBUKOAKNSA-N 2 0 300.446 2.953 20 0 DFADRP COc1ccc(CC[C@H](C)[NH2+]C[C@@H]2CCC[C@@H]([NH3+])C2)cc1O ZINC000415013630 428488188 /nfs/dbraw/zinc/48/81/88/428488188.db2.gz YPVDYESLDBMRMG-NUEKZKHPSA-N 2 0 306.450 2.829 20 0 DFADRP C[C@@H](CCCC[NH3+])[NH2+]Cc1ccc(Oc2cnccn2)cc1 ZINC000415013867 428488776 /nfs/dbraw/zinc/48/87/76/428488776.db2.gz LKBNAUBHVWXMLG-AWEZNQCLSA-N 2 0 300.406 2.876 20 0 DFADRP C[C@H](NC1CC[NH+]([C@H]2CCC[C@@H](C)C2)CC1)c1ncnn1C ZINC000353339432 428492642 /nfs/dbraw/zinc/49/26/42/428492642.db2.gz XDCIRYYWWRIWER-YCPHGPKFSA-N 2 0 305.470 2.509 20 0 DFADRP [NH3+]C[C@@H]1CC[C@H]([NH2+]Cc2c[nH]nc2-c2c(F)cccc2F)C1 ZINC000415027833 428492884 /nfs/dbraw/zinc/49/28/84/428492884.db2.gz BSIHASOEQMTQPW-PWSUYJOCSA-N 2 0 306.360 2.572 20 0 DFADRP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[C@H](C[NH3+])C2)CCN1Cc1ccccc1 ZINC000415027735 428493436 /nfs/dbraw/zinc/49/34/36/428493436.db2.gz BKTHBBPWOZADAF-QXCFHYIPSA-N 2 0 301.478 2.757 20 0 DFADRP C[C@H](NC[C@H]1CC[N@H+](Cc2ccccc2)C1)[C@@H]1CCCC[NH2+]1 ZINC000395213858 428493804 /nfs/dbraw/zinc/49/38/04/428493804.db2.gz WCWHXBCZNOWNRV-UHOSZYNNSA-N 2 0 301.478 2.629 20 0 DFADRP CCOc1cccc(C[NH2+][C@H](C)CCC[NH3+])c1OC(F)F ZINC000415027717 428493846 /nfs/dbraw/zinc/49/38/46/428493846.db2.gz XHHLUDCGCAOSDU-LLVKDONJSA-N 2 0 302.365 2.904 20 0 DFADRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H](C)C[C@@H]2CCCO2)[C@H](C)C1 ZINC000360932121 428495965 /nfs/dbraw/zinc/49/59/65/428495965.db2.gz YOSUTUSVOIKUKG-BDXSIMOUSA-N 2 0 312.498 2.671 20 0 DFADRP [NH3+]C[C@H]1CC[C@@H]([NH2+]Cc2csc(COc3ccccc3)n2)C1 ZINC000415036860 428496398 /nfs/dbraw/zinc/49/63/98/428496398.db2.gz LSUZDARCAHROLE-UONOGXRCSA-N 2 0 317.458 2.939 20 0 DFADRP CC1(c2ccccc2)CCC([NH2+]C[C@@H]2C[NH2+]CCCO2)CC1 ZINC000415041769 428497270 /nfs/dbraw/zinc/49/72/70/428497270.db2.gz PWEIODGILWQSDK-XBMUEBEBSA-N 2 0 302.462 2.855 20 0 DFADRP [NH3+]C[C@@H]1CC[C@H]([NH2+][C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)C1 ZINC000415048717 428500361 /nfs/dbraw/zinc/50/03/61/428500361.db2.gz XGLHXPMNIYRZAB-JAZQRGJZSA-N 3 0 313.489 2.614 20 0 DFADRP CC(C)c1cnc(C[NH2+]C2CCC(N3CC[NH2+]CC3)CC2)s1 ZINC000415050075 428500660 /nfs/dbraw/zinc/50/06/60/428500660.db2.gz IGBJFPLETYECKE-UHFFFAOYSA-N 2 0 322.522 2.573 20 0 DFADRP [NH3+]C[C@@H]1CC[C@H]([NH2+][C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]23)C1 ZINC000415048721 428500848 /nfs/dbraw/zinc/50/08/48/428500848.db2.gz XGLHXPMNIYRZAB-OUUBHVDSSA-N 3 0 313.489 2.614 20 0 DFADRP c1cc(N2CCCC2)ncc1C[N@@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000415055013 428503896 /nfs/dbraw/zinc/50/38/96/428503896.db2.gz QOWKQCHZRFVACH-QZTJIDSGSA-N 2 0 314.477 2.646 20 0 DFADRP CCn1c2ccccc2c2cc(C[N@H+](C)C[C@H](O)C[NH3+])ccc21 ZINC000415055536 428504234 /nfs/dbraw/zinc/50/42/34/428504234.db2.gz NGVLZDNTHXVHRI-OAHLLOKOSA-N 2 0 311.429 2.566 20 0 DFADRP COCCOc1cccc(C[N@@H+]2CCCC[C@H]2[C@H]2CC[NH2+]C2)c1 ZINC000415054753 428504754 /nfs/dbraw/zinc/50/47/54/428504754.db2.gz QJWIMTRMGWGEAK-HKUYNNGSSA-N 2 0 318.461 2.676 20 0 DFADRP COc1cc(C[N@@H+]2C[C@@H](C)[C@](C)(C[NH3+])C2)ccc1OC(C)C ZINC000415057756 428505009 /nfs/dbraw/zinc/50/50/09/428505009.db2.gz TYYWKHBCGCGNSW-RDTXWAMCSA-N 2 0 306.450 2.899 20 0 DFADRP C[C@@H](CC(=O)Nc1cccc(Cl)c1)[NH2+]CCC[NH2+]C1CC1 ZINC000415064176 428505573 /nfs/dbraw/zinc/50/55/73/428505573.db2.gz BUULFUNSLMSACQ-LBPRGKRZSA-N 2 0 309.841 2.789 20 0 DFADRP COc1ccc(C)cc1C[NH+]1CCC([C@@H]2C[C@H]([NH3+])CCO2)CC1 ZINC000415129621 428531485 /nfs/dbraw/zinc/53/14/85/428531485.db2.gz VMMHBHQIVCVORP-MJGOQNOKSA-N 2 0 318.461 2.722 20 0 DFADRP C[C@@H](C[NH2+]C1CCC([NH+]2CCNCC2)CC1)c1ccc(F)cc1 ZINC000415061094 428507388 /nfs/dbraw/zinc/50/73/88/428507388.db2.gz XXMACZOVHRMEMU-MNNVXMFVSA-N 2 0 319.468 2.735 20 0 DFADRP Clc1ccccc1C1(C[NH2+]C[C@@H]2CCC[NH2+]C2)CCOCC1 ZINC000415075362 428510720 /nfs/dbraw/zinc/51/07/20/428510720.db2.gz DUWPZGFDWABHHZ-OAHLLOKOSA-N 2 0 322.880 2.977 20 0 DFADRP Brc1ccccc1C1(CN[C@H]2CCC[NH2+]C2)CC1 ZINC000415078733 428511672 /nfs/dbraw/zinc/51/16/72/428511672.db2.gz GVWBJOGRUVRDSV-LBPRGKRZSA-N 2 0 309.251 2.822 20 0 DFADRP COc1ccc(C[NH2+]C[C@]2(C)CC[NH2+]C2)c(C(F)(F)F)c1 ZINC000415079052 428511763 /nfs/dbraw/zinc/51/17/63/428511763.db2.gz HKVBPFDRYCVWSI-CQSZACIVSA-N 2 0 302.340 2.803 20 0 DFADRP CC1CCN(c2ccc(C[NH2+][C@H]3CCC[NH2+]CC3)cn2)CC1 ZINC000415083405 428512036 /nfs/dbraw/zinc/51/20/36/428512036.db2.gz NKDLEFREKCVAQQ-KRWDZBQOSA-N 2 0 302.466 2.550 20 0 DFADRP c1ccc(C[NH+]2CCC(C[NH2+][C@@H]3CCC[NH2+]CC3)CC2)cc1 ZINC000397635480 428512411 /nfs/dbraw/zinc/51/24/11/428512411.db2.gz PNFCKUOSYAGNNX-LJQANCHMSA-N 3 0 301.478 2.630 20 0 DFADRP C[C@H]([NH2+]C1CCC(C[NH3+])CC1)c1cccc(N2CCCC2=O)c1 ZINC000415081139 428512710 /nfs/dbraw/zinc/51/27/10/428512710.db2.gz KFNZPOMHCKCATE-UQPPLGOBSA-N 2 0 315.461 2.982 20 0 DFADRP C[C@H]([NH2+]CCCc1nc(-c2ccncc2)cs1)[C@H]1CC[NH2+]C1 ZINC000415084392 428513281 /nfs/dbraw/zinc/51/32/81/428513281.db2.gz PAXNCELXSJYALV-ZFWWWQNUSA-N 2 0 316.474 2.725 20 0 DFADRP C[C@@H]([NH2+]CC1(O)CC[NH+](Cc2ccccc2)CC1)[C@H]1C[C@H]1C ZINC000397555551 428513387 /nfs/dbraw/zinc/51/33/87/428513387.db2.gz LGVMNTSVDNHYNC-NUJGCVRESA-N 2 0 302.462 2.648 20 0 DFADRP c1cc(N2CCCCCC2)ncc1C[NH2+]C[C@H]1CCC[NH2+]C1 ZINC000415086852 428514851 /nfs/dbraw/zinc/51/48/51/428514851.db2.gz SAQJTJZIIURXBN-INIZCTEOSA-N 2 0 302.466 2.551 20 0 DFADRP COc1ccc([C@@H](CNC2CC[NH2+]CC2)[NH+]2CCCCC2)cc1 ZINC000415087974 428515310 /nfs/dbraw/zinc/51/53/10/428515310.db2.gz UJVDBGIFDJLBJT-LJQANCHMSA-N 2 0 317.477 2.564 20 0 DFADRP CC1CCN(c2ccc(C[NH2+]C3CCC([NH3+])CC3)cn2)CC1 ZINC000415084991 428515761 /nfs/dbraw/zinc/51/57/61/428515761.db2.gz PMFRNGRGINVDCP-UHFFFAOYSA-N 2 0 302.466 2.677 20 0 DFADRP C[C@H](C[C@@H]1CCC[NH2+]1)[NH2+]CCc1nccn1Cc1ccccc1 ZINC000415085583 428516141 /nfs/dbraw/zinc/51/61/41/428516141.db2.gz QWGRYOUQSZTCPX-AEFFLSMTSA-N 2 0 312.461 2.594 20 0 DFADRP c1sc(CCC[NH2+]C[C@H]2CCC[NH2+]C2)nc1-c1ccncc1 ZINC000415088622 428516401 /nfs/dbraw/zinc/51/64/01/428516401.db2.gz WJCHLLOVZUFXSU-AWEZNQCLSA-N 2 0 316.474 2.727 20 0 DFADRP C[C@@H]([NH2+]C1CC[NH2+]CC1)[C@@H](OC1CCOCC1)c1ccccc1 ZINC000415087821 428516888 /nfs/dbraw/zinc/51/68/88/428516888.db2.gz VASUIDILOVZOHE-DNVCBOLYSA-N 2 0 318.461 2.653 20 0 DFADRP COc1cc(C[NH+]2CCC([C@@H]3OCCC[C@H]3[NH3+])CC2)ccc1C ZINC000415115203 428523206 /nfs/dbraw/zinc/52/32/06/428523206.db2.gz WTPYVEKNQVEKFK-MJGOQNOKSA-N 2 0 318.461 2.722 20 0 DFADRP Cn1cnc2cc(CN3C[C@@H](c4ccccc4F)[C@H]([NH3+])C3)ccc21 ZINC000415112271 428524054 /nfs/dbraw/zinc/52/40/54/428524054.db2.gz AYLVNZWFPSZKQV-DOTOQJQBSA-N 2 0 324.403 2.639 20 0 DFADRP [NH3+][C@H]1CCO[C@@H](C2CC[NH+](Cc3cc(F)ccc3F)CC2)C1 ZINC000415117882 428526259 /nfs/dbraw/zinc/52/62/59/428526259.db2.gz CMPMSZIWQHGNAH-DOTOQJQBSA-N 2 0 310.388 2.683 20 0 DFADRP CC[NH+]1CCN(c2cccc(NC[C@H]3CC[NH2+][C@@H](C)C3)c2)CC1 ZINC000415116175 428526788 /nfs/dbraw/zinc/52/67/88/428526788.db2.gz ZFEWNCKDTGKJBB-IRXDYDNUSA-N 2 0 316.493 2.629 20 0 DFADRP [NH3+]C[C@@H]1CN(Cc2ccccc2OC2CCCC2)CCCO1 ZINC000415119676 428526880 /nfs/dbraw/zinc/52/68/80/428526880.db2.gz ZMCBLZBUAGKWIJ-QGZVFWFLSA-N 2 0 304.434 2.558 20 0 DFADRP Cc1ccc(F)cc1C[NH+]1CCC([C@H]2C[C@H]([NH3+])CCO2)CC1 ZINC000415122012 428530237 /nfs/dbraw/zinc/53/02/37/428530237.db2.gz JBRBOZNMNFBXEC-QZTJIDSGSA-N 2 0 306.425 2.852 20 0 DFADRP CC[NH+](CC)Cc1ccc(CNC(=O)[C@@H]2CCC[C@H]2C[NH3+])cc1 ZINC000390176324 428471089 /nfs/dbraw/zinc/47/10/89/428471089.db2.gz BFGKACGCAWXEEG-ZWKOTPCHSA-N 2 0 317.477 2.520 20 0 DFADRP C[C@H]1C[C@H]([NH2+]Cc2c[nH]nc2-c2c(F)cccc2F)CC[NH2+]1 ZINC000414957189 428471910 /nfs/dbraw/zinc/47/19/10/428471910.db2.gz VWCXGOPVOYXWSJ-CMPLNLGQSA-N 2 0 306.360 2.585 20 0 DFADRP c1cc(OC[C@@H]2CCCO2)ccc1C[NH2+]CCC[C@H]1CCC[NH2+]1 ZINC000414966114 428475099 /nfs/dbraw/zinc/47/50/99/428475099.db2.gz GAOFCUCAKBPFSG-HKUYNNGSSA-N 2 0 318.461 2.866 20 0 DFADRP C[C@@H]([NH3+])[C@@H](C)NC(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC000414964484 428476156 /nfs/dbraw/zinc/47/61/56/428476156.db2.gz MHAHYYAMDAKVHA-HUUCEWRRSA-N 2 0 318.465 2.572 20 0 DFADRP C[C@H]1C[C@H]([NH2+]Cc2c[nH]nc2-c2ccc(Cl)cc2)CC[NH2+]1 ZINC000414962761 428476307 /nfs/dbraw/zinc/47/63/07/428476307.db2.gz ZXTQAJGQOZYYAR-XHDPSFHLSA-N 2 0 304.825 2.960 20 0 DFADRP CCCOc1cc(C[NH2+][C@@H]2CC[NH2+]CC2(C)C)ccc1OC ZINC000414968490 428478599 /nfs/dbraw/zinc/47/85/99/428478599.db2.gz IGGTWJDHOOECHG-QGZVFWFLSA-N 2 0 306.450 2.962 20 0 DFADRP COCC1(C[NH2+]Cc2ccc3nc(C)ccc3c2)CC[NH2+]CC1 ZINC000414970713 428479073 /nfs/dbraw/zinc/47/90/73/428479073.db2.gz HTYUXWKEKOUZQX-UHFFFAOYSA-N 2 0 313.445 2.649 20 0 DFADRP CC(C)CC[NH+]1CCC(C[NH2+][C@@H](C)c2ccc(=O)[nH]n2)CC1 ZINC000353531495 428580907 /nfs/dbraw/zinc/58/09/07/428580907.db2.gz VJDNUJFTLNHETK-AWEZNQCLSA-N 2 0 306.454 2.591 20 0 DFADRP C[N@@H+]1CC[C@H]([NH2+]C[C@H](CCO)c2ccccc2)[C@@H]2CCC[C@H]21 ZINC000353535017 428581386 /nfs/dbraw/zinc/58/13/86/428581386.db2.gz VAYZPCGCCUZFGS-CADBVGFASA-N 2 0 302.462 2.615 20 0 DFADRP Cc1nccn1CCC[N@@H+](C)CCCN(C)Cc1ccco1 ZINC000353544075 428585198 /nfs/dbraw/zinc/58/51/98/428585198.db2.gz ADQGOPVHJUCXST-UHFFFAOYSA-N 3 0 304.438 2.629 20 0 DFADRP CCN1C[C@@H](C)[C@H]([NH2+]C2CCC([NH+]3CCC(C)CC3)CC2)C1 ZINC000358249896 428590290 /nfs/dbraw/zinc/59/02/90/428590290.db2.gz JTUNPYKPWQUWOP-LWSMDNFKSA-N 2 0 307.526 2.959 20 0 DFADRP C[N@@H+]1CCC[C@H](CNC(=O)C2([NH3+])CCCC2)[C@H]1c1cccs1 ZINC000361717084 428590422 /nfs/dbraw/zinc/59/04/22/428590422.db2.gz APHFMKODIRFGNK-HIFRSBDPSA-N 2 0 321.490 2.519 20 0 DFADRP C[NH+](C)CCc1ccc(NC(=O)c2ccc3c(c2)C[NH2+]C3)cc1 ZINC000347494579 428591431 /nfs/dbraw/zinc/59/14/31/428591431.db2.gz BUXHQIHIHWQRSK-UHFFFAOYSA-N 2 0 309.413 2.646 20 0 DFADRP C[C@@H]1CC[C@H]([NH2+]CC2=CC[N@H+](C)CC2)CN1C(=O)OC(C)(C)C ZINC000399050133 428532237 /nfs/dbraw/zinc/53/22/37/428532237.db2.gz UTIOBKHBNLDFEB-ZBFHGGJFSA-N 2 0 323.481 2.626 20 0 DFADRP Cc1ccc(C[N@H+]2CC[C@H](C)[C@@H](C[NH3+])C2)c(-c2ccnn2C)c1 ZINC000415133413 428532900 /nfs/dbraw/zinc/53/29/00/428532900.db2.gz VFLCKXGGIRCFSR-RDJZCZTQSA-N 2 0 312.461 2.812 20 0 DFADRP C[C@@H](N[C@H]1CC[C@@H](C)[NH2+]C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000399004830 428533343 /nfs/dbraw/zinc/53/33/43/428533343.db2.gz WUTAYZIQZWRNAH-RWQQGDIJSA-N 2 0 301.478 2.627 20 0 DFADRP CCc1cccc(F)c1C[N@@H+]1CC2(CC[NH2+]CC2)[C@@H]2COC[C@@H]21 ZINC000415139982 428533744 /nfs/dbraw/zinc/53/37/44/428533744.db2.gz MKINXLSKBOFHOS-AEFFLSMTSA-N 2 0 318.436 2.589 20 0 DFADRP C[NH+](C)[C@H](CN[C@@H]1CC[N@H+](C)[C@@H]2CCC[C@@H]21)c1ccccc1 ZINC000353438783 428537826 /nfs/dbraw/zinc/53/78/26/428537826.db2.gz VULKAKCOXXNUQI-NCXUSEDFSA-N 2 0 301.478 2.752 20 0 DFADRP CNC(=O)[C@@H]1CCC[C@@H]1[NH2+]C1CC[NH+]([C@@H]2CCCC[C@H]2C)CC1 ZINC000358266397 428593828 /nfs/dbraw/zinc/59/38/28/428593828.db2.gz MIPOBSPYOIIHKX-NRSFXHEJSA-N 2 0 321.509 2.534 20 0 DFADRP C[C@H]([NH2+]CCC[NH+](C)C)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000400379173 428543351 /nfs/dbraw/zinc/54/33/51/428543351.db2.gz WJTJFVHPGRIDJM-AWEZNQCLSA-N 2 0 313.486 2.563 20 0 DFADRP C[C@H](NC[C@@H]1CCCC[N@@H+]1Cc1ccccc1)[C@H]1CCC[NH2+]1 ZINC000400327731 428544552 /nfs/dbraw/zinc/54/45/52/428544552.db2.gz CTKXVWOWMXOVQS-YTQUADARSA-N 2 0 301.478 2.771 20 0 DFADRP CC[NH+](CC)[C@H](CNC(=O)[C@@H](C1CC1)[NH+]1CCCC1)CC(C)C ZINC000353458771 428545680 /nfs/dbraw/zinc/54/56/80/428545680.db2.gz KKKYLXAKANQZGD-ZWKOTPCHSA-N 2 0 323.525 2.734 20 0 DFADRP C[C@H](NC[C@]1(C)CCC[N@@H+]1Cc1ccccc1)[C@H]1CCC[NH2+]1 ZINC000400811612 428547798 /nfs/dbraw/zinc/54/77/98/428547798.db2.gz YNKPJQDKDIJFAV-UHOSZYNNSA-N 2 0 301.478 2.771 20 0 DFADRP C[C@@H]1CCC[N@H+](CCCC[NH2+][C@@H]2CC[NH+](C)[C@@H]3CCC[C@@H]32)C1 ZINC000353462313 428548087 /nfs/dbraw/zinc/54/80/87/428548087.db2.gz IOHVOMNCUNASCQ-NCXUSEDFSA-N 2 0 307.526 2.961 20 0 DFADRP C[C@H](N[C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]12)[C@H]1CCC[NH2+]1 ZINC000400742095 428548864 /nfs/dbraw/zinc/54/88/64/428548864.db2.gz TWBWYKUCOLDXRF-ABHMUUKNSA-N 2 0 313.489 2.627 20 0 DFADRP COCC1(C[NH+]2CCC(C[NH+]3C[C@H](C)O[C@@H](C)C3)CC2)CCC1 ZINC000361299544 428554794 /nfs/dbraw/zinc/55/47/94/428554794.db2.gz NLTYSWVWFRPTIZ-IRXDYDNUSA-N 2 0 324.509 2.624 20 0 DFADRP CC(C)[N@H+](C)CCN[C@@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000361328776 428558320 /nfs/dbraw/zinc/55/83/20/428558320.db2.gz QYKBXJYYPFGGOB-PKOBYXMFSA-N 2 0 303.494 2.969 20 0 DFADRP C[C@@H](C(=O)NCC(C)(C)[N@@H+]1CCC[C@H](C)C1)[NH+]1CCCCCC1 ZINC000357812972 428565986 /nfs/dbraw/zinc/56/59/86/428565986.db2.gz VEBSDJSVIWGFGW-IRXDYDNUSA-N 2 0 323.525 2.878 20 0 DFADRP COc1cc(C)c(C[N@@H+]2CCC[C@@H](C)[C@H]2CC[NH3+])cc1OC ZINC000404365831 428568562 /nfs/dbraw/zinc/56/85/62/428568562.db2.gz HFSYXSWCEBVHKL-CZUORRHYSA-N 2 0 306.450 2.962 20 0 DFADRP C[N@H+](Cc1ccccc1)CC(C)(C)CN1CC[NH+]2CCC[C@@H]2C1 ZINC000353499594 428568795 /nfs/dbraw/zinc/56/87/95/428568795.db2.gz VMCCUTKCNJBAJH-LJQANCHMSA-N 2 0 315.505 2.925 20 0 DFADRP C[N@@H+]1CC[C@H](NC2CC[NH+](C3CCCC3)CC2)[C@@H]2CCC[C@H]21 ZINC000353514227 428571910 /nfs/dbraw/zinc/57/19/10/428571910.db2.gz BUDRJFKUCWOIJU-GBESFXJTSA-N 3 0 305.510 2.856 20 0 DFADRP C[N@@H+]1CC[C@H]([NH2+][C@H](CCCO)c2ccccc2)[C@@H]2CCC[C@H]21 ZINC000353518519 428574177 /nfs/dbraw/zinc/57/41/77/428574177.db2.gz LFOQXWMPTDHURX-ZSYWTGECSA-N 2 0 302.462 2.963 20 0 DFADRP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]CC(C)(C)N1CCc2ccccc2C1 ZINC000358009118 428575188 /nfs/dbraw/zinc/57/51/88/428575188.db2.gz BPPMQLIUWKRFJI-APWZRJJASA-N 2 0 315.505 2.753 20 0 DFADRP CC(C)c1ncc(C[NH+]2CCC(OCC[NH+](C)C)CC2)s1 ZINC000353521659 428575438 /nfs/dbraw/zinc/57/54/38/428575438.db2.gz RXTHCKKMCSULNQ-UHFFFAOYSA-N 2 0 311.495 2.809 20 0 DFADRP C[N@@H+]1CC[C@H]([NH2+]Cc2cccc(-n3ccnc3)c2)[C@H]2CCC[C@H]21 ZINC000353521580 428576436 /nfs/dbraw/zinc/57/64/36/428576436.db2.gz QFJBQZPJWJNYTJ-CEXWTWQISA-N 2 0 310.445 2.835 20 0 DFADRP C[NH+](C)CCOC1CC[NH+](Cc2cc3ccccc3o2)CC1 ZINC000353526858 428577582 /nfs/dbraw/zinc/57/75/82/428577582.db2.gz BMNBVRPFRBXHAA-UHFFFAOYSA-N 2 0 302.418 2.975 20 0 DFADRP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC1CC[NH+](C2CCCCC2)CC1 ZINC000361973956 428607147 /nfs/dbraw/zinc/60/71/47/428607147.db2.gz ZSPDAIPPYUHSOR-KXBFYZLASA-N 2 0 305.510 2.856 20 0 DFADRP CC(C)[NH+]1CCN(CCC[N@H+](C)C2CCC(F)(F)CC2)CC1 ZINC000347586203 428615090 /nfs/dbraw/zinc/61/50/90/428615090.db2.gz TVCOBWMEXLVFTG-UHFFFAOYSA-N 2 0 317.468 2.912 20 0 DFADRP C[C@@H](c1ccc(F)cc1F)[N@H+](C)CCCN(C)CC[NH+](C)C ZINC000344041502 428618560 /nfs/dbraw/zinc/61/85/60/428618560.db2.gz VYUHZQNDINCSFN-AWEZNQCLSA-N 2 0 313.436 2.841 20 0 DFADRP C[N@@H+]1CC[C@H]([NH2+]Cc2ccnc(OC3CCC3)c2)[C@H]2CCC[C@H]21 ZINC000353611812 428619431 /nfs/dbraw/zinc/61/94/31/428619431.db2.gz FRLWAEZYGCOJMD-FGTMMUONSA-N 2 0 315.461 2.975 20 0 DFADRP C[NH2+]Cc1ccccc1NC(=O)NC[C@@H]1CC[N@H+](CC(C)C)C1 ZINC000415909308 428623203 /nfs/dbraw/zinc/62/32/03/428623203.db2.gz FPSOWSXZSQDUIC-HNNXBMFYSA-N 2 0 318.465 2.505 20 0 DFADRP CC[C@H]1C[N@H+](CCCc2ccc(C)nc2)CCN1CC(F)F ZINC000353615877 428623508 /nfs/dbraw/zinc/62/35/08/428623508.db2.gz MMEFDCJZTXDNAN-INIZCTEOSA-N 2 0 311.420 2.984 20 0 DFADRP C[NH2+]Cc1ccccc1NC(=O)NCC[N@H+]1[C@H](C)CCC[C@@H]1C ZINC000415914079 428625036 /nfs/dbraw/zinc/62/50/36/428625036.db2.gz ULQKTDICCNWJGO-GASCZTMLSA-N 2 0 318.465 2.790 20 0 DFADRP CC[NH2+]Cc1ccccc1NC(=O)N(C)C[C@H]1CCC[N@H+](C)C1 ZINC000415957923 428634669 /nfs/dbraw/zinc/63/46/69/428634669.db2.gz QMIMLOMEWGZBOI-HNNXBMFYSA-N 2 0 318.465 2.602 20 0 DFADRP CC[NH2+]Cc1ccccc1NC(=O)NCC[N@H+](CC)C(C)C ZINC000415950300 428634729 /nfs/dbraw/zinc/63/47/29/428634729.db2.gz HMPCTQOFDAAVDC-UHFFFAOYSA-N 2 0 306.454 2.648 20 0 DFADRP CCC1(CC)[C@H]([NH2+]C2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)C[C@H]1OC ZINC000344301962 428628340 /nfs/dbraw/zinc/62/83/40/428628340.db2.gz RYGJEPNYUHAYPS-XMTFNYHQSA-N 2 0 324.509 2.548 20 0 DFADRP C[NH2+]Cc1cccc(NC(=O)NC[C@@H](C)[N@@H+]2CCC[C@H](C)C2)c1 ZINC000415928406 428628802 /nfs/dbraw/zinc/62/88/02/428628802.db2.gz HKVHFENYGTZZJG-LSDHHAIUSA-N 2 0 318.465 2.648 20 0 DFADRP CC[NH2+]Cc1cccc(NC(=O)NC[C@H](C)C[NH+]2CCCC2)c1 ZINC000415932988 428630514 /nfs/dbraw/zinc/63/05/14/428630514.db2.gz NSZWIBLGXKHFTB-HNNXBMFYSA-N 2 0 318.465 2.650 20 0 DFADRP CC[NH2+]Cc1cccc(NC(=O)N[C@H](C)c2nccn2CC)c1 ZINC000415933841 428631254 /nfs/dbraw/zinc/63/12/54/428631254.db2.gz OVRBWWLXXSQHGD-CYBMUJFWSA-N 2 0 315.421 2.895 20 0 DFADRP CC(C)[C@@H](CNC(=O)CC1CC[NH+](C)CC1)[NH+]1CCC(C)CC1 ZINC000347524432 428595259 /nfs/dbraw/zinc/59/52/59/428595259.db2.gz NCIXQTIBRMNJEF-GOSISDBHSA-N 2 0 323.525 2.591 20 0 DFADRP C[C@@H]1C[C@@H]([NH2+]CC2CC[NH+](C)CC2)CCN1Cc1ccccc1 ZINC000358711937 428636820 /nfs/dbraw/zinc/63/68/20/428636820.db2.gz DSFYQRWAVMORPY-XLIONFOSSA-N 2 0 315.505 2.971 20 0 DFADRP C[NH2+]Cc1ccc(NC(=O)NC[C@@H](C)[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000415969314 428636953 /nfs/dbraw/zinc/63/69/53/428636953.db2.gz FVBAIXCBSJWJAD-HUUCEWRRSA-N 2 0 318.465 2.648 20 0 DFADRP [NH3+]Cc1ccc(NC(=O)NC2CC[NH+](C3CCCC3)CC2)cc1 ZINC000415969098 428637644 /nfs/dbraw/zinc/63/76/44/428637644.db2.gz DCSQNZUFMMEGIS-UHFFFAOYSA-N 2 0 316.449 2.674 20 0 DFADRP CCCC[N@@H+]1CCCC[C@H]1CNC(=O)Nc1ccc(C[NH3+])cc1 ZINC000415981530 428639114 /nfs/dbraw/zinc/63/91/14/428639114.db2.gz VWHOVMFGJJLBIW-KRWDZBQOSA-N 2 0 318.465 2.921 20 0 DFADRP C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)Nc2ccc(C[NH3+])cc2)C1 ZINC000415975670 428639486 /nfs/dbraw/zinc/63/94/86/428639486.db2.gz MQLXOKTWRAWGBR-AWEZNQCLSA-N 2 0 318.465 2.777 20 0 DFADRP C[N@H+](Cc1ccccc1)CC(C)(C)C[NH2+]C[C@](C)(O)C1CC1 ZINC000344412107 428640044 /nfs/dbraw/zinc/64/00/44/428640044.db2.gz UYEGFHLVIUYPMF-IBGZPJMESA-N 2 0 304.478 2.895 20 0 DFADRP C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)Nc1ccc(C[NH3+])cc1 ZINC000415979449 428640427 /nfs/dbraw/zinc/64/04/27/428640427.db2.gz QVESUOSFRFSLHE-ZNMIVQPWSA-N 2 0 318.465 2.633 20 0 DFADRP C[C@@H]1C[C@H]([NH2+]C[C@](C)(O)C2CC2)CCN1Cc1ccccc1 ZINC000358720771 428642268 /nfs/dbraw/zinc/64/22/68/428642268.db2.gz VTWXNJGTWDIMMT-LZQZEXGQSA-N 2 0 302.462 2.790 20 0 DFADRP CC(C)[NH+](CCCNC(=O)Nc1ccc2c(c1)C[NH2+]C2)C(C)C ZINC000415997466 428643575 /nfs/dbraw/zinc/64/35/75/428643575.db2.gz PRLVWAIPBJAJBQ-UHFFFAOYSA-N 2 0 318.465 2.920 20 0 DFADRP C[N@H+](CCNC(=O)Nc1ccc(C[NH3+])cc1)C1CCCCC1 ZINC000415958523 428635271 /nfs/dbraw/zinc/63/52/71/428635271.db2.gz NNPORPCDQDSKHZ-UHFFFAOYSA-N 2 0 304.438 2.531 20 0 DFADRP Cc1nc2cc(NC(=O)c3ccc4c(c3)CC[NH2+]CC4)ccc2[nH]1 ZINC000353675292 428651257 /nfs/dbraw/zinc/65/12/57/428651257.db2.gz JZSNZJYFUUFCGK-UHFFFAOYSA-N 2 0 320.396 2.812 20 0 DFADRP CC[N@@H+]1CC[C@H]([NH+](C)CCc2ccc3c(c2)CCO3)C[C@H]1C ZINC000362184365 428652635 /nfs/dbraw/zinc/65/26/35/428652635.db2.gz IGTGUKRAZQTNOG-QAPCUYQASA-N 2 0 302.462 2.969 20 0 DFADRP CC(=O)NC1CCC([NH2+]C[C@H]2CCC[N@@H+]2C2CCCCC2)CC1 ZINC000373903155 428655185 /nfs/dbraw/zinc/65/51/85/428655185.db2.gz JZYQHTAIFLMCJP-FAFZWHIHSA-N 2 0 321.509 2.820 20 0 DFADRP Clc1ccc(-c2n[nH]cc2CN2C[C@@H]3[NH2+]CCC[C@H]3C2)cc1 ZINC000353700292 428663474 /nfs/dbraw/zinc/66/34/74/428663474.db2.gz CPLKMXNKTSEQRT-BBRMVZONSA-N 2 0 316.836 2.914 20 0 DFADRP C[NH+]1CCC2(CCC[N@H+](C[C@@H](O)c3ccc(F)cc3)C2)CC1 ZINC000374179235 428668377 /nfs/dbraw/zinc/66/83/77/428668377.db2.gz RHEHFWWZMPGUTM-QGZVFWFLSA-N 2 0 306.425 2.667 20 0 DFADRP CC[N@@H+]1CCC[C@@H](CNC(=O)C[C@H](c2ccccc2)[NH+](C)C)C1 ZINC000416146431 428675201 /nfs/dbraw/zinc/67/52/01/428675201.db2.gz UTVZSYBHESTXBS-FUHWJXTLSA-N 2 0 317.477 2.528 20 0 DFADRP C[C@@H]1CN(Cc2ccccc2)C[C@H]1[NH2+]C[C@@H](O)Cc1ccccc1 ZINC000348297691 428696515 /nfs/dbraw/zinc/69/65/15/428696515.db2.gz CEHAHAZXXGLWKK-JRGCBEDISA-N 2 0 324.468 2.700 20 0 DFADRP C[C@@H]1C[C@@H](N(C)Cc2cnc([C@@H]3CCCO3)s2)CC[N@@H+]1C ZINC000353756578 428698074 /nfs/dbraw/zinc/69/80/74/428698074.db2.gz WDZXKVSIAGZQRH-IPYPFGDCSA-N 2 0 309.479 2.909 20 0 DFADRP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccc(NC(C)=O)cc2)C[C@@H]1C ZINC000353754812 428698339 /nfs/dbraw/zinc/69/83/39/428698339.db2.gz QLOMBENTYNAOQK-KSSFIOAISA-N 2 0 303.450 2.950 20 0 DFADRP C[C@@H]1C[C@H]([NH2+]CC2(O)CC[NH+](C)CC2)c2ccsc2S1 ZINC000361877276 274404781 /nfs/dbraw/zinc/40/47/81/274404781.db2.gz LPCJADMPBVQNCW-YPMHNXCESA-N 2 0 312.504 2.720 20 0 DFADRP C[C@@H]1C[C@@H]([NH2+]C[C@@]2(C)CCOC2)CN(Cc2ccccc2)C1 ZINC000344751050 428700813 /nfs/dbraw/zinc/70/08/13/428700813.db2.gz PIXPPSWJFNYFAY-BHIYHBOVSA-N 2 0 302.462 2.913 20 0 DFADRP Cc1ccc([C@H]2CCC[C@H]2[NH2+]CC2(O)CC[NH+](C)CC2)cc1 ZINC000344749448 428701511 /nfs/dbraw/zinc/70/15/11/428701511.db2.gz NYEIFZUSBBXRNM-QZTJIDSGSA-N 2 0 302.462 2.677 20 0 DFADRP C[C@@H]1C[C@@H]([NH2+]C[C@]2(C)CCOC2)CN(Cc2ccccc2)C1 ZINC000344758991 428704545 /nfs/dbraw/zinc/70/45/45/428704545.db2.gz PIXPPSWJFNYFAY-QRQLOZEOSA-N 2 0 302.462 2.913 20 0 DFADRP c1ccc(C[NH+]2C[C@@H]3C[NH+](C[C@@H]4CCCCO4)C[C@H]3C2)cc1 ZINC000348333399 428710289 /nfs/dbraw/zinc/71/02/89/428710289.db2.gz YPMXPTSHTGKRQX-QRVBRYPASA-N 2 0 300.446 2.619 20 0 DFADRP CC[NH+](CC)C[C@H]1CCCC[C@@H]1[NH2+]Cc1cnc2cnccn12 ZINC000344853455 428716399 /nfs/dbraw/zinc/71/63/99/428716399.db2.gz XRAUTHBDZRUUAE-WBVHZDCISA-N 2 0 315.465 2.720 20 0 DFADRP C[C@H](C[N@@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@@H]21)c1ccccc1 ZINC000374420431 428678594 /nfs/dbraw/zinc/67/85/94/428678594.db2.gz LIKWEUJURPMMCN-XGXHKWSGSA-N 2 0 302.462 2.974 20 0 DFADRP CC[C@H]([NH2+]Cc1ccc(OCC[NH+](C)C)cc1)[C@@H]1CCOC1 ZINC000344587499 428679185 /nfs/dbraw/zinc/67/91/85/428679185.db2.gz IGPBAUHBQIUABM-AEFFLSMTSA-N 2 0 306.450 2.532 20 0 DFADRP CC[N@@H+]1CCC[C@H]1CN(C)C(=O)C[C@H](c1ccccc1)[NH+](C)C ZINC000416171680 428681241 /nfs/dbraw/zinc/68/12/41/428681241.db2.gz RMRFXNSUNXOAKW-ZWKOTPCHSA-N 2 0 317.477 2.622 20 0 DFADRP C[C@H]([NH2+]CC[C@H]1CCOC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000348259502 428682262 /nfs/dbraw/zinc/68/22/62/428682262.db2.gz FZHHKROELYQDMV-WDSOQIARSA-N 2 0 302.462 2.913 20 0 DFADRP CC[N@H+]1C[C@H](NCC[C@H](C)[NH+](C)Cc2ccccc2)[C@@H](C)C1 ZINC000344619676 428683045 /nfs/dbraw/zinc/68/30/45/428683045.db2.gz XDKWLNRFMHKVSU-LNLFQRSKSA-N 2 0 303.494 2.827 20 0 DFADRP CCN1CC[NH+](CCCC[NH2+]C[C@@H]2C[C@H]2c2ccccc2)CC1 ZINC000348262028 428683093 /nfs/dbraw/zinc/68/30/93/428683093.db2.gz HZDZAOSDNFLQQH-PMACEKPBSA-N 2 0 315.505 2.797 20 0 DFADRP CC[N@H+]1C[C@H](NCC[C@@H](C)[NH+](C)Cc2ccccc2)[C@@H](C)C1 ZINC000344619677 428684345 /nfs/dbraw/zinc/68/43/45/428684345.db2.gz XDKWLNRFMHKVSU-SCTDSRPQSA-N 2 0 303.494 2.827 20 0 DFADRP CC[N@@H+]1C[C@H](C)N(C(=O)C[C@@H](c2ccccc2)[NH+](C)C)C[C@@H]1C ZINC000416184247 428685390 /nfs/dbraw/zinc/68/53/90/428685390.db2.gz NIJBSGRSWZGRRI-BQFCYCMXSA-N 2 0 317.477 2.621 20 0 DFADRP CC(C)[NH+]1CCC(O)(C[NH2+]Cc2ccc([C@H]3C[C@H]3C)o2)CC1 ZINC000344634772 428685435 /nfs/dbraw/zinc/68/54/35/428685435.db2.gz CCWXBUXKRLEFGR-ZBFHGGJFSA-N 2 0 306.450 2.728 20 0 DFADRP CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)C[C@H](c2ccccc2)[NH+](C)C)C1 ZINC000416188339 428685559 /nfs/dbraw/zinc/68/55/59/428685559.db2.gz GYKWCVAPISKYBN-BPQIPLTHSA-N 2 0 317.477 2.524 20 0 DFADRP C[NH+](C)[C@@H](CC(=O)NCC1(C)CC[NH+](C)CC1)c1ccccc1 ZINC000416198259 428688706 /nfs/dbraw/zinc/68/87/06/428688706.db2.gz MGAVUFIYRQQNNB-KRWDZBQOSA-N 2 0 317.477 2.528 20 0 DFADRP CC(C)[C@@H](C(=O)NCCC[N@@H+]1CCCC[C@@H]1C)[NH+]1CCCCC1 ZINC000358819922 428690950 /nfs/dbraw/zinc/69/09/50/428690950.db2.gz RYKVUMAVYVNTIY-ROUUACIJSA-N 2 0 323.525 2.878 20 0 DFADRP C[C@H]1C[C@H]([NH2+]Cc2c[nH]nc2-c2c(F)cccc2F)CC[N@@H+]1C ZINC000344685274 428692675 /nfs/dbraw/zinc/69/26/75/428692675.db2.gz QGGCLRZYEBOFNK-WCQYABFASA-N 2 0 320.387 2.927 20 0 DFADRP O=C1C[C@H]([NH2+]C2CC[NH+](C3CCCCC3)CC2)[C@@H]2CCCCN12 ZINC000374516705 428693641 /nfs/dbraw/zinc/69/36/41/428693641.db2.gz ZLLZVOWTUOCFHP-ROUUACIJSA-N 2 0 319.493 2.527 20 0 DFADRP C[C@H](O)C[NH+]1CCC(C[N@H+](C)[C@H]2C[C@H]2c2cccc(F)c2)CC1 ZINC000411248988 428763678 /nfs/dbraw/zinc/76/36/78/428763678.db2.gz YGTMSWGQBPETKZ-JVPBZIDWSA-N 2 0 320.452 2.706 20 0 DFADRP CC[NH+]1CCN(c2ccccc2C[NH+]2C[C@@H](C)[C@H](C)C2)CC1 ZINC000353884917 428763756 /nfs/dbraw/zinc/76/37/56/428763756.db2.gz ZDANZVMCJIHFHQ-IAGOWNOFSA-N 2 0 301.478 2.916 20 0 DFADRP C[NH+](C)CCNC(=O)C1CC[NH+](CCC2CCCCCC2)CC1 ZINC000345186019 428790243 /nfs/dbraw/zinc/79/02/43/428790243.db2.gz JQQYKUWEXIAINS-UHFFFAOYSA-N 2 0 323.525 2.737 20 0 DFADRP Cc1cccc(NC[C@@H]2CCC[NH+]2CC[C@H]2CCC[N@H+]2C)n1 ZINC000362400190 428734591 /nfs/dbraw/zinc/73/45/91/428734591.db2.gz FQJDYSASXJRPEC-SJORKVTESA-N 2 0 302.466 2.751 20 0 DFADRP CCn1nc(C)c(CN2CC[C@@H](C[N@H+](C)CC3CC3)C2)c1C ZINC000354078200 428849571 /nfs/dbraw/zinc/84/95/71/428849571.db2.gz OQSJTFYGPKFSEJ-KRWDZBQOSA-N 2 0 304.482 2.684 20 0 DFADRP C[C@H]([NH2+]C[C@@H]1CCOC[C@H]1C)c1cccc(OCC[NH+](C)C)c1 ZINC000353978310 428802277 /nfs/dbraw/zinc/80/22/77/428802277.db2.gz KEDDITWQOUTXCZ-RYRKJORJSA-N 2 0 320.477 2.950 20 0 DFADRP CCC[C@H]([NH2+]CC(=O)NC1CC[NH+](CC)CC1)C1CCCCC1 ZINC000411486735 428804750 /nfs/dbraw/zinc/80/47/50/428804750.db2.gz IDJLDBDDMLDFNJ-SFHVURJKSA-N 2 0 323.525 2.926 20 0 DFADRP C[C@@H](C[S@@](C)=O)[N@H+](C)Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000411510694 428808202 /nfs/dbraw/zinc/80/82/02/428808202.db2.gz GYSNMSQBHIFNFW-KSFYIVLOSA-N 2 0 322.518 2.871 20 0 DFADRP C[N@H+](Cc1cccc(C[NH+]2CCCCC2)c1)CC1(CO)CC1 ZINC000411613556 428824712 /nfs/dbraw/zinc/82/47/12/428824712.db2.gz PXMXYJHAFZGVTH-UHFFFAOYSA-N 2 0 302.462 2.877 20 0 DFADRP C[C@H]1CC[N@H+](Cc2ccc(C[NH+]3CCCCC3)cc2)[C@H]1CO ZINC000411614229 428825259 /nfs/dbraw/zinc/82/52/59/428825259.db2.gz KPBSWBDUUHMSRV-LPHOPBHVSA-N 2 0 302.462 2.875 20 0 DFADRP Cc1nccn1CCCN1CCSC[C@@H]1c1nccs1 ZINC000375229713 428826433 /nfs/dbraw/zinc/82/64/33/428826433.db2.gz PAHFDQVGLAOMQU-CYBMUJFWSA-N 2 0 308.476 2.828 20 0 DFADRP Cc1nccn1-c1ccc([C@H](C)[NH2+]Cc2cncn2C)cc1F ZINC000363320844 428906084 /nfs/dbraw/zinc/90/60/84/428906084.db2.gz JBJSDZRCMBJUSA-LBPRGKRZSA-N 2 0 313.380 2.904 20 0 DFADRP Cc1nccn1-c1ccc([C@@H](C)[NH2+]Cc2cncn2C)cc1F ZINC000363320843 428907639 /nfs/dbraw/zinc/90/76/39/428907639.db2.gz JBJSDZRCMBJUSA-GFCCVEGCSA-N 2 0 313.380 2.904 20 0 DFADRP CC(CC[NH+](C(C)C)C1COC1)CC[N@H+](C(C)C)C1COC1 ZINC000411766423 428854297 /nfs/dbraw/zinc/85/42/97/428854297.db2.gz CCODLLFOSWNARK-UHFFFAOYSA-N 2 0 312.498 2.621 20 0 DFADRP CC(C)(C)c1ncc(CN2CC[C@H](C[NH+]3CCCC3)C2)cn1 ZINC000375322550 428854362 /nfs/dbraw/zinc/85/43/62/428854362.db2.gz UDFCNBOVTLWZBJ-OAHLLOKOSA-N 2 0 302.466 2.692 20 0 DFADRP CSc1ccccc1NC(=O)C[N@H+](C)CCC1CC[NH2+]CC1 ZINC000359183515 428855266 /nfs/dbraw/zinc/85/52/66/428855266.db2.gz ACCVZZVXXVWKNN-UHFFFAOYSA-N 2 0 321.490 2.669 20 0 DFADRP CC[C@@H]([NH2+]C1CC[NH+](C(C)(C)C)CC1)C1(C(=O)OC)CCC1 ZINC000354090084 428857461 /nfs/dbraw/zinc/85/74/61/428857461.db2.gz HVJDKBCCJLIGPH-OAHLLOKOSA-N 2 0 310.482 2.961 20 0 DFADRP Cc1cccc2nc(CN3C[C@@H]4C[N@@H+]5CCCC[C@H]5[C@@H]4C3)cn21 ZINC000363118064 428860637 /nfs/dbraw/zinc/86/06/37/428860637.db2.gz QYXWVYWDNIDXSR-NXHRZFHOSA-N 2 0 310.445 2.559 20 0 DFADRP CC(CC[NH+](C)[C@@H](C)C(C)(C)O)CC[N@H+](C)[C@@H](C)C(C)(C)O ZINC000411799910 428861086 /nfs/dbraw/zinc/86/10/86/428861086.db2.gz VQMLEKHMFLOXFY-HOTGVXAUSA-N 2 0 316.530 2.585 20 0 DFADRP Fc1ccc([C@@H]2CN(CCC3CC[NH2+]CC3)CCO2)cc1F ZINC000359199509 428862892 /nfs/dbraw/zinc/86/28/92/428862892.db2.gz XGYBGWOIPADXDV-KRWDZBQOSA-N 2 0 310.388 2.728 20 0 DFADRP CCC[NH+]1CCC([NH2+]C[C@H]2Cc3ccccc3N(C)C2)CC1 ZINC000375356425 428863031 /nfs/dbraw/zinc/86/30/31/428863031.db2.gz ZQIAZNGXOYMOIO-MRXNPFEDSA-N 2 0 301.478 2.759 20 0 DFADRP CC1CC[NH+](C[C@H]2CCC[N@H+](CCC3CC[NH2+]CC3)C2)CC1 ZINC000359213086 428867232 /nfs/dbraw/zinc/86/72/32/428867232.db2.gz GYZLKCZXOASWEP-IBGZPJMESA-N 3 0 307.526 2.820 20 0 DFADRP C(C[NH+]1CCC[C@H]1[C@@H]1CCCO1)C[N@@H+]1CCC[C@H]1[C@H]1CCCO1 ZINC000375373617 428867984 /nfs/dbraw/zinc/86/79/84/428867984.db2.gz NZJVEPPWUPURMZ-CADBVGFASA-N 2 0 322.493 2.663 20 0 DFADRP CN(c1ccccc1)C1CC[NH+](CCC2CC[NH2+]CC2)CC1 ZINC000359219808 428873345 /nfs/dbraw/zinc/87/33/45/428873345.db2.gz MILSBBDFMVEXGW-UHFFFAOYSA-N 2 0 301.478 2.977 20 0 DFADRP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](CCC2CC[NH2+]CC2)C1 ZINC000359226051 428876087 /nfs/dbraw/zinc/87/60/87/428876087.db2.gz VPFDNQILOHTYNC-MJGOQNOKSA-N 3 0 307.526 2.963 20 0 DFADRP c1cn2c(cccc2C[N@@H+]2CC[C@H](c3nc(C4CC4)no3)C2)n1 ZINC000375404433 428876293 /nfs/dbraw/zinc/87/62/93/428876293.db2.gz NYQOWJBUNFBKGC-ZDUSSCGKSA-N 2 0 309.373 2.584 20 0 DFADRP C[NH+](C)CCCN(CCC[NH+](C)C)Cc1ccc(Cl)o1 ZINC000348931783 428880012 /nfs/dbraw/zinc/88/00/12/428880012.db2.gz CCTHGTPIGREYPS-UHFFFAOYSA-N 2 0 301.862 2.638 20 0 DFADRP CCC[NH+](CCC)CCCC(=O)N1CC[N@H+](C)C[C@H]1C(C)C ZINC000348955068 428886688 /nfs/dbraw/zinc/88/66/88/428886688.db2.gz CDFITYZUTMACFJ-KRWDZBQOSA-N 2 0 311.514 2.687 20 0 DFADRP CCC[C@H](C[N@@H+]1CC[C@H](N2CC[NH2+]CC2)C1)c1ccccc1 ZINC000348973665 428890038 /nfs/dbraw/zinc/89/00/38/428890038.db2.gz IJHYRTRJGSWERY-MOPGFXCFSA-N 2 0 301.478 2.550 20 0 DFADRP COC(=O)C[C@@H]1CC[C@@H]([NH2+]CC2(N(C)C)CCCCC2)[C@H]1C ZINC000354164134 428894448 /nfs/dbraw/zinc/89/44/48/428894448.db2.gz OHFWLZWPRIOGDQ-HRCADAONSA-N 2 0 310.482 2.818 20 0 DFADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)Cc1sccc1C ZINC000349060933 428911610 /nfs/dbraw/zinc/91/16/10/428911610.db2.gz HQNHTBOXQKTNMH-MRXNPFEDSA-N 2 0 309.523 2.904 20 0 DFADRP C[C@@H]1OCC[C@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000354174344 428900402 /nfs/dbraw/zinc/90/04/02/428900402.db2.gz XCNQNKFNMJDUGX-BYUNMRKYSA-N 2 0 300.446 2.949 20 0 DFADRP C[NH+](C)CCOCC[NH2+]Cc1cnc(-c2ccsc2)s1 ZINC000354184302 428903933 /nfs/dbraw/zinc/90/39/33/428903933.db2.gz CKDOQRAABSZQQU-UHFFFAOYSA-N 2 0 311.476 2.539 20 0 DFADRP C[C@@H](C(=O)NCC[N@H+]1[C@H](C)CCC[C@@H]1C)[NH+]1CCCCCC1 ZINC000345505071 428912393 /nfs/dbraw/zinc/91/23/93/428912393.db2.gz JLEYIJWQSWLQBE-BBWFWOEESA-N 2 0 309.498 2.630 20 0 DFADRP CN(CC[N@H+](C)C/C=C\c1ccccc1)C1CC[NH+](C)CC1 ZINC000349070002 428912713 /nfs/dbraw/zinc/91/27/13/428912713.db2.gz AJCABBCPQGLDQK-YFHOEESVSA-N 2 0 301.478 2.658 20 0 DFADRP CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](C(C)C)[NH+]1CCC(C)CC1 ZINC000349119615 428922494 /nfs/dbraw/zinc/92/24/94/428922494.db2.gz QUTTXGZZOWMZOA-ROUUACIJSA-N 2 0 323.525 2.734 20 0 DFADRP CCC[N@@H+]1CCC[C@H]1C(=O)NCCCC[NH+]1CCCC[C@H]1C ZINC000349117046 428922693 /nfs/dbraw/zinc/92/26/93/428922693.db2.gz JDLCVQAQLZPDEG-SJORKVTESA-N 2 0 309.498 2.632 20 0 DFADRP CC[N@@H+]1CC[C@H]([NH+](C)CCC(=O)Nc2cccc(F)c2)C[C@H]1C ZINC000354226431 428926411 /nfs/dbraw/zinc/92/64/11/428926411.db2.gz WDCNXBVJWAEHNP-PBHICJAKSA-N 2 0 321.440 2.959 20 0 DFADRP CC(C)[NH+]1CCC([NH2+][C@H]2CCC[C@H](c3ccnn3C)C2)CC1 ZINC000375692107 428942544 /nfs/dbraw/zinc/94/25/44/428942544.db2.gz OABCLXJWOMDIHA-RDJZCZTQSA-N 2 0 304.482 2.909 20 0 DFADRP c1ccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@@H](N[C@@H]2CCCC[NH2+]C2)C3)cc1 ZINC000423556142 428971940 /nfs/dbraw/zinc/97/19/40/428971940.db2.gz MMZHBQPDIQMRMM-YSTOQKLRSA-N 3 0 313.489 2.914 20 0 DFADRP C[N@@H+]1CCCN(CCC[NH2+][C@@H](c2ccc(F)cc2)C2CC2)CC1 ZINC000359377267 428946176 /nfs/dbraw/zinc/94/61/76/428946176.db2.gz YGMTWSBRYLUNPM-LJQANCHMSA-N 2 0 319.468 2.894 20 0 DFADRP C[C@@H]1C[N@H+](C)CC[C@H]1NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000359379682 428947084 /nfs/dbraw/zinc/94/70/84/428947084.db2.gz PGVOXXIBOKYGJI-BZUAXINKSA-N 2 0 307.507 2.815 20 0 DFADRP [NH3+]CC[C@H]1CCC[N@H+](Cc2csc(Nc3ccccc3)n2)C1 ZINC000420316550 428958110 /nfs/dbraw/zinc/95/81/10/428958110.db2.gz SYCISZUXXMQRMP-CQSZACIVSA-N 2 0 316.474 3.448 20 0 DFADRP C[C@@H]1CCC[C@H]([NH+]2CCC([NH2+]CC[C@@H](O)C(F)(F)F)CC2)C1 ZINC000349331572 428964208 /nfs/dbraw/zinc/96/42/08/428964208.db2.gz LVAFNNYUHJDTMP-VHDGCEQUSA-N 2 0 322.415 2.932 20 0 DFADRP C[C@@H]1CCC[C@@H]([NH+]2CCC([NH2+]CC[C@@H](O)C(F)(F)F)CC2)C1 ZINC000349331570 428964649 /nfs/dbraw/zinc/96/46/49/428964649.db2.gz LVAFNNYUHJDTMP-BPLDGKMQSA-N 2 0 322.415 2.932 20 0 DFADRP CC[C@@H]([NH2+][C@@H](C)CCN1CC[NH+](C)CC1)c1cccc(OC)c1 ZINC000349344732 428967083 /nfs/dbraw/zinc/96/70/83/428967083.db2.gz UHUFDBVHOZEVKC-QFBILLFUSA-N 2 0 319.493 2.762 20 0 DFADRP Cc1ccc(NC(=O)C[C@@H](C)[NH2+]CCC2=CC[NH2+]CC2)c(C)c1 ZINC000423545027 428969483 /nfs/dbraw/zinc/96/94/83/428969483.db2.gz DMLBSPHRBVFUHT-MRXNPFEDSA-N 2 0 315.461 2.920 20 0 DFADRP C[C@H]1COCC[C@H]1[NH2+]Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000354328579 428969983 /nfs/dbraw/zinc/96/99/83/428969983.db2.gz JGXLJFVNYZVTKO-QFBILLFUSA-N 2 0 318.461 2.676 20 0 DFADRP Cc1cc(N2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)c2ccccc2[nH+]1 ZINC000375907157 429014899 /nfs/dbraw/zinc/01/48/99/429014899.db2.gz RNEINNVNGJEQOZ-HKUYNNGSSA-N 2 0 311.429 2.579 20 0 DFADRP CC[C@]1(C(=O)N2CCC(CCC[NH+]3CCCC3)CC2)CCC[NH2+]1 ZINC000423799443 429024726 /nfs/dbraw/zinc/02/47/26/429024726.db2.gz PXIJAYWKIIZLAB-LJQANCHMSA-N 2 0 321.509 2.633 20 0 DFADRP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@@H+]2Cc1cccc2cc[nH]c21 ZINC000355209129 429032253 /nfs/dbraw/zinc/03/22/53/429032253.db2.gz QYXDZCZIMVFRNJ-SQNIBIBYSA-N 2 0 313.445 2.851 20 0 DFADRP C[C@@H]1C[N@H+](CCC[NH2+]CCCCOc2ccccc2)CCCO1 ZINC000433024179 428979433 /nfs/dbraw/zinc/97/94/33/428979433.db2.gz VUUOPEHHINYFJU-GOSISDBHSA-N 2 0 320.477 2.936 20 0 DFADRP C[C@H](C(=O)N(CC[NH+](C)C)C1CCCC1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000412198402 428980994 /nfs/dbraw/zinc/98/09/94/428980994.db2.gz WRWVOMBUJYKTKI-OWCLPIDISA-N 2 0 309.498 2.581 20 0 DFADRP CC(C)[C@H](C(=O)N[C@@H](C[NH3+])c1ccc2ccccc2c1)[C@@H](C)[NH3+] ZINC000423614608 428983126 /nfs/dbraw/zinc/98/31/26/428983126.db2.gz QOBQOVWKOHHSOH-BVGQSLNGSA-N 2 0 313.445 2.575 20 0 DFADRP CC(C)[C@H](C(=O)Nc1cc(C[NH3+])cc(C(F)(F)F)c1)[C@H](C)[NH3+] ZINC000423624030 428986546 /nfs/dbraw/zinc/98/65/46/428986546.db2.gz PESXJAVSJBXRJU-ZANVPECISA-N 2 0 317.355 2.722 20 0 DFADRP CC[C@@H](C(=O)N1CCCC[C@@H]1CC[NH3+])[N@H+](C)Cc1ccccc1 ZINC000423644053 428987040 /nfs/dbraw/zinc/98/70/40/428987040.db2.gz ZEOQSGBDSDADNQ-MSOLQXFVSA-N 2 0 317.477 2.627 20 0 DFADRP Cc1ccc([C@H]([NH2+]C[C@H](C)N2CC[NH+](C)CC2)C2CCC2)o1 ZINC000349448005 428988897 /nfs/dbraw/zinc/98/88/97/428988897.db2.gz DFDGKGVUINTMLD-KBXCAEBGSA-N 2 0 305.466 2.655 20 0 DFADRP C[C@H]1C[C@@H]([NH2+]CC2(CO)CC(c3ccccc3)C2)CC[N@@H+]1C ZINC000433086003 428994444 /nfs/dbraw/zinc/99/44/44/428994444.db2.gz YGLACKUWKDMPPC-BARLLCKDSA-N 2 0 302.462 2.615 20 0 DFADRP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]C[C@@H]1CCCN(c2ccccc2)C1 ZINC000433093610 428994789 /nfs/dbraw/zinc/99/47/89/428994789.db2.gz VALZSWNUOWAJIH-ZIFCJYIRSA-N 2 0 301.478 2.833 20 0 DFADRP C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1[NH2+][C@H]1CCc2nccn2C1 ZINC000375845972 428995376 /nfs/dbraw/zinc/99/53/76/428995376.db2.gz ZRKULJPJAZXBFQ-NEWSRXKRSA-N 3 0 324.472 2.698 20 0 DFADRP [NH3+]C1CC[NH+](CCCC(=O)N[C@@H]2CC[C@@H]3CCCC[C@@H]3C2)CC1 ZINC000433119184 428995566 /nfs/dbraw/zinc/99/55/66/428995566.db2.gz FHKAQCSTGUHSIW-LZLYRXPVSA-N 2 0 321.509 2.665 20 0 DFADRP CC(C)[C@H]1CCC[C@H](NC(=O)CCC[NH+]2CCC([NH3+])CC2)C1 ZINC000433117666 428997453 /nfs/dbraw/zinc/99/74/53/428997453.db2.gz PFKRMBVBCUMZOP-RDJZCZTQSA-N 2 0 309.498 2.521 20 0 DFADRP COc1ccc(OCCC[NH2+][C@@H]2CC[N@H+](C)[C@@H]3CCC[C@@H]32)cc1 ZINC000375849860 428997667 /nfs/dbraw/zinc/99/76/67/428997667.db2.gz IHBMPLOKAPNBRP-GUDVDZBRSA-N 2 0 318.461 2.927 20 0 DFADRP CCOC(=O)C1(C)CCC([NH2+]CC2(C)CC[NH+](C)CC2)CC1 ZINC000354649455 429002619 /nfs/dbraw/zinc/00/26/19/429002619.db2.gz AKQMCTYOZZJDQY-UHFFFAOYSA-N 2 0 310.482 2.820 20 0 DFADRP C[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCCN(C(=O)[C@@H]2CCCC[C@]2(C)[NH3+])C1 ZINC000423720550 429003814 /nfs/dbraw/zinc/00/38/14/429003814.db2.gz ANSAIECZPMANHX-BCDMZGRMSA-N 2 0 321.509 2.758 20 0 DFADRP C[C@@H](C(=O)NC1CCC(C[NH+](C)C)CC1)[C@H]([NH3+])c1ccccc1 ZINC000423745448 429007713 /nfs/dbraw/zinc/00/77/13/429007713.db2.gz MRVIIFVNJVZQFQ-RYKRPPSOSA-N 2 0 317.477 2.559 20 0 DFADRP CC(C)CN(C(=O)C[C@H](C)[C@@H]1CCC[NH2+]C1)C1CC[NH+](C)CC1 ZINC000423763908 429012220 /nfs/dbraw/zinc/01/22/20/429012220.db2.gz SCHFNRKHFQRMNC-DLBZAZTESA-N 2 0 323.525 2.591 20 0 DFADRP C[C@@H]1CCCCC[N@@H+]1CC(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000354846903 429013333 /nfs/dbraw/zinc/01/33/33/429013333.db2.gz DOTZSINIVZNSEG-SJLPKXTDSA-N 2 0 317.477 2.670 20 0 DFADRP CN(CC[N@H+](C)C1CCCCC1)C(=O)[C@](C)([NH3+])c1ccccc1 ZINC000423770167 429014172 /nfs/dbraw/zinc/01/41/72/429014172.db2.gz ZOTYWSGGAOOYQD-LJQANCHMSA-N 2 0 317.477 2.583 20 0 DFADRP C[C@@H]1C[N@H+](CC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)C(C)(C)C1 ZINC000354849826 429014757 /nfs/dbraw/zinc/01/47/57/429014757.db2.gz MAQCTGBHWFYAID-RDJZCZTQSA-N 2 0 317.477 2.526 20 0 DFADRP [NH3+][C@H](CC1CCCCC1)C(=O)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000423448654 429089151 /nfs/dbraw/zinc/08/91/51/429089151.db2.gz VGYZPPURGJFAEO-QZTJIDSGSA-N 2 0 321.509 2.619 20 0 DFADRP [NH3+][C@H](CC1CCCCC1)C(=O)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000423448656 429089573 /nfs/dbraw/zinc/08/95/73/429089573.db2.gz VGYZPPURGJFAEO-ZWKOTPCHSA-N 2 0 321.509 2.619 20 0 DFADRP CCOC(=O)c1oc2c(c1C)[C@@H]([NH2+][C@@H](C)CCC[NH3+])CCC2 ZINC000423455259 429090840 /nfs/dbraw/zinc/09/08/40/429090840.db2.gz MHQQUNGHLSJRGU-AAEUAGOBSA-N 2 0 308.422 2.859 20 0 DFADRP C[C@@H]([NH2+][C@@H](C)CCC[NH3+])c1ccc(-n2cncn2)cc1Cl ZINC000423458266 429090883 /nfs/dbraw/zinc/09/08/83/429090883.db2.gz PXCVBUYUHIXVPZ-NWDGAFQWSA-N 2 0 307.829 2.699 20 0 DFADRP C[C@H]([NH2+]CCC[C@@H]1CCC[NH2+]1)c1cccc(N2CCCC2=O)c1 ZINC000423469599 429092209 /nfs/dbraw/zinc/09/22/09/429092209.db2.gz CUTKVOLBRMBGPK-DOTOQJQBSA-N 2 0 315.461 2.996 20 0 DFADRP Cc1ncsc1CN(C)C[C@H]1CC[N@H+](CC[C@H]2CCCO2)C1 ZINC000434494911 429093526 /nfs/dbraw/zinc/09/35/26/429093526.db2.gz QLVNQJRCWZZSGP-HZPDHXFCSA-N 2 0 323.506 2.774 20 0 DFADRP Fc1ccc([C@H]([NH2+]CCC[C@H]2CCC[NH2+]2)c2cnccn2)cc1 ZINC000423475495 429093845 /nfs/dbraw/zinc/09/38/45/429093845.db2.gz IBWNEGYLSDWZFP-AEFFLSMTSA-N 2 0 314.408 2.827 20 0 DFADRP [NH3+][C@@H]1CCC[C@H](C[NH2+][C@H](c2ncc[nH]2)c2ccc(F)cc2)C1 ZINC000423476085 429094412 /nfs/dbraw/zinc/09/44/12/429094412.db2.gz QJTLOBNKXSDPCJ-MAZHCROVSA-N 2 0 302.397 2.745 20 0 DFADRP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@@H+]2Cc1ccc2c(c1)CCC2 ZINC000355216396 429036227 /nfs/dbraw/zinc/03/62/27/429036227.db2.gz FIAWOEVUFLUNPS-AABGKKOBSA-N 2 0 314.473 2.859 20 0 DFADRP COc1ncc([C@H](C)[NH2+]C[C@H]2CCNCC2(F)F)cc1Cl ZINC000423489151 429096504 /nfs/dbraw/zinc/09/65/04/429096504.db2.gz WQOMFSVUEMMIDA-GXSJLCMTSA-N 2 0 319.783 2.639 20 0 DFADRP COC1([C@@H](C)[NH2+]CC2(SC)CC[NH+](C)CC2)CCCC1 ZINC000421863274 429042006 /nfs/dbraw/zinc/04/20/06/429042006.db2.gz YMHBMQKVKSMMFG-CQSZACIVSA-N 2 0 300.512 2.751 20 0 DFADRP COc1ccc2c(c1F)CC[C@@H]2[NH2+]C[C@H]1CCNCC1(F)F ZINC000423490795 429096721 /nfs/dbraw/zinc/09/67/21/429096721.db2.gz ZEXAJNVBWDSWDP-MFKMUULPSA-N 2 0 314.351 2.656 20 0 DFADRP COCCc1nc(C)c([C@H](C)[NH2+][C@@H]2CCCC[C@H]2C[NH3+])s1 ZINC000423281697 429055672 /nfs/dbraw/zinc/05/56/72/429055672.db2.gz UKLLWTNRURPPQK-FPMFFAJLSA-N 2 0 311.495 2.809 20 0 DFADRP CCOC(=O)[C@@H]1CC[C@H]([NH2+]C[C@@H](C)C[NH2+]C)c2ccccc21 ZINC000423285376 429057327 /nfs/dbraw/zinc/05/73/27/429057327.db2.gz ZLNLMBFZONEKJM-XKQJLSEDSA-N 2 0 304.434 2.613 20 0 DFADRP CCOC(=O)[C@@H]1CC[C@@H]([NH2+]C[C@@H](C)C[NH2+]C)c2ccccc21 ZINC000423285372 429057410 /nfs/dbraw/zinc/05/74/10/429057410.db2.gz ZLNLMBFZONEKJM-IAOVAPTHSA-N 2 0 304.434 2.613 20 0 DFADRP CC(C)[C@@H]([NH3+])C[NH2+][C@@H]1CCc2cc(Br)ccc2C1 ZINC000423284117 429058529 /nfs/dbraw/zinc/05/85/29/429058529.db2.gz XTHNUNHCDILJBT-CABCVRRESA-N 2 0 311.267 2.879 20 0 DFADRP C[C@H](C[NH3+])C[NH2+][C@H](Cc1ccccc1Br)C1CC1 ZINC000423299307 429059529 /nfs/dbraw/zinc/05/95/29/429059529.db2.gz BRNKLDYFDQJSPM-IAQYHMDHSA-N 2 0 311.267 2.955 20 0 DFADRP C[C@H]([NH3+])c1ccc(C(=O)N[C@H](C[NH+](C)C)c2ccccc2)cc1 ZINC000423307597 429059559 /nfs/dbraw/zinc/05/95/59/429059559.db2.gz HJCFYTDWKXANGN-KBXCAEBGSA-N 2 0 311.429 2.739 20 0 DFADRP c1ccc(C[N@@H+]2C[C@@H]3CCC[C@@H](N[C@H]4CCC[NH2+]C4)[C@H]3C2)cc1 ZINC000423306180 429060243 /nfs/dbraw/zinc/06/02/43/429060243.db2.gz SHPWNHIPHGWURQ-LWYYNNOASA-N 3 0 313.489 2.629 20 0 DFADRP CC[C@H](C(=O)Nc1ncc(C2CC[NH2+]CC2)s1)[NH+](CC)CC ZINC000423951953 429063640 /nfs/dbraw/zinc/06/36/40/429063640.db2.gz PNHYSTRIHRTKMR-CYBMUJFWSA-N 2 0 324.494 2.669 20 0 DFADRP C[C@H](CNC(=O)c1ccc([C@H](C)[NH3+])cc1)[N@@H+]1CCC[C@@H](C)C1 ZINC000423329573 429065936 /nfs/dbraw/zinc/06/59/36/429065936.db2.gz MVTSHFJSKMCJKC-KFWWJZLASA-N 2 0 303.450 2.557 20 0 DFADRP C[C@H]([NH2+]CC1(C)CC[NH2+]CC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000423337848 429067519 /nfs/dbraw/zinc/06/75/19/429067519.db2.gz UGPOWPZGJHSQOR-HKUYNNGSSA-N 3 0 315.505 2.876 20 0 DFADRP C[C@@H](CNC(=O)[C@@H]([NH3+])CC1CCCCC1)[N@@H+]1CCCC[C@H]1C ZINC000423332807 429067545 /nfs/dbraw/zinc/06/75/45/429067545.db2.gz PKELQWFWOLQJEN-VYDXJSESSA-N 2 0 309.498 2.663 20 0 DFADRP C[C@H]1CCC[N@H+](Cc2ccc(NC(=O)[C@@H]([NH3+])C3CCC3)cc2)C1 ZINC000423341358 429069619 /nfs/dbraw/zinc/06/96/19/429069619.db2.gz UFSFLZBROHOUDQ-KSSFIOAISA-N 2 0 315.461 2.984 20 0 DFADRP CC(C)c1ccc2c(c1)[C@@H](NC[C@H]1C[NH2+]CCCO1)CCCO2 ZINC000423485295 429097139 /nfs/dbraw/zinc/09/71/39/429097139.db2.gz AZQPXBDFEOBZJJ-AEFFLSMTSA-N 2 0 318.461 2.992 20 0 DFADRP [NH3+][C@H](CC1CCCCC1)C(=O)NC1CC[NH+](C2CCCC2)CC1 ZINC000423346928 429070258 /nfs/dbraw/zinc/07/02/58/429070258.db2.gz ZMICPBYBTWYHJS-GOSISDBHSA-N 2 0 321.509 2.807 20 0 DFADRP C[C@@H]1CCCC[N@@H+]1Cc1ccc(NC(=O)C2(C)C[NH2+]C2)cc1 ZINC000423343323 429070625 /nfs/dbraw/zinc/07/06/25/429070625.db2.gz VUAQRKRPMSBLMB-CQSZACIVSA-N 2 0 301.434 2.609 20 0 DFADRP C[C@H](NCC[C@H]1CCC[NH2+]1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000423363855 429072749 /nfs/dbraw/zinc/07/27/49/429072749.db2.gz OCQMDXATZKWBIH-YTQUADARSA-N 2 0 301.478 2.629 20 0 DFADRP CC(C)[C@H]([NH2+][C@H]1CC[NH2+]C[C@H]1C)c1ccc2[nH]c(=O)oc2c1 ZINC000423361624 429072770 /nfs/dbraw/zinc/07/27/70/429072770.db2.gz AKCIEMOIJVTGMI-FFSVYQOJSA-N 2 0 303.406 2.818 20 0 DFADRP C[C@@H]1C[NH2+]CC[C@H]1N[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000423364671 429074190 /nfs/dbraw/zinc/07/41/90/429074190.db2.gz CRXQRPNIGBONIC-RACLHMPKSA-N 2 0 313.489 2.770 20 0 DFADRP CC(C)[C@@H]1CCC[C@@H]([NH2+]C[C@@H](N2CC[NH2+]CC2)C(F)(F)F)C1 ZINC000423371574 429074887 /nfs/dbraw/zinc/07/48/87/429074887.db2.gz AKQBVTCMOYJLFG-RBSFLKMASA-N 2 0 321.431 2.627 20 0 DFADRP CC[NH+](CC)[C@H](C(=O)N1CC[C@@H](C)[C@H](C[NH3+])C1)c1ccccc1 ZINC000424003032 429075637 /nfs/dbraw/zinc/07/56/37/429075637.db2.gz QYKBSBZHWWCMQA-NXHRZFHOSA-N 2 0 317.477 2.513 20 0 DFADRP CC[C@@H]([NH2+]C[C@H](N1CC[NH2+]CC1)C(F)(F)F)c1ccsc1 ZINC000423383081 429077194 /nfs/dbraw/zinc/07/71/94/429077194.db2.gz GNAWWEZNLCNDFC-OLZOCXBDSA-N 2 0 321.412 2.625 20 0 DFADRP CC(C)[C@H]([NH2+][C@H]1CC[NH2+][C@H](C)C1)c1ccc2[nH]c(=O)oc2c1 ZINC000423386809 429078901 /nfs/dbraw/zinc/07/89/01/429078901.db2.gz RSBKNDLQDDWSQZ-FFSVYQOJSA-N 2 0 303.406 2.961 20 0 DFADRP C[NH2+][C@H](C)CN[C@@H]1CC[N@H+](Cc2ccccc2)[C@H]2CCC[C@@H]21 ZINC000423396211 429079000 /nfs/dbraw/zinc/07/90/00/429079000.db2.gz RNPYWHOFPNBSFO-OWYHZJEWSA-N 2 0 301.478 2.627 20 0 DFADRP FC(F)(F)[C@H](C[NH2+][C@H]1CCCC12CCCC2)N1CC[NH2+]CC1 ZINC000423387895 429079165 /nfs/dbraw/zinc/07/91/65/429079165.db2.gz KIEJNCKZHOUNBY-KBPBESRZSA-N 2 0 319.415 2.525 20 0 DFADRP COCC1(C[NH2+][C@@H](C)[C@H](C)c2ccc(OC)cc2)CC[NH2+]CC1 ZINC000423397321 429080064 /nfs/dbraw/zinc/08/00/64/429080064.db2.gz BVABUPSIDQBGFU-HOTGVXAUSA-N 2 0 320.477 2.793 20 0 DFADRP Fc1ccc(F)c2c1CC[C@@H]2[NH2+]C[C@H]1CCNCC1(F)F ZINC000423483882 429097409 /nfs/dbraw/zinc/09/74/09/429097409.db2.gz SAJDYHXFEJIQCV-RNCFNFMXSA-N 2 0 302.315 2.787 20 0 DFADRP CC[C@H]1CCCC[N@@H+]1CCNC(=O)c1ccc([C@@H](C)[NH3+])cc1 ZINC000423415002 429084068 /nfs/dbraw/zinc/08/40/68/429084068.db2.gz CZHKRDBRMGZBFV-PBHICJAKSA-N 2 0 303.450 2.701 20 0 DFADRP COCC1(C[NH2+][C@@H](c2ccc(F)cc2)C2CC2)CC[NH2+]CC1 ZINC000423412310 429084122 /nfs/dbraw/zinc/08/41/22/429084122.db2.gz WNLPNFBJZCBPAP-QGZVFWFLSA-N 2 0 306.425 2.883 20 0 DFADRP CCC[NH+](CCC)CCCC(=O)N1C[C@H](C[NH3+])[C@@H](C)C[C@@H]1C ZINC000424053801 429084457 /nfs/dbraw/zinc/08/44/57/429084457.db2.gz ACTSQUBSJXZLBP-ULQDDVLXSA-N 2 0 311.514 2.720 20 0 DFADRP CN1CC[C@H]([NH2+][C@@H]2C[C@H]2C2CC[NH2+]CC2)C[C@@H]1c1ccccc1 ZINC000423424087 429085175 /nfs/dbraw/zinc/08/51/75/429085175.db2.gz CLJWLFNMPLHZAK-VNTMZGSJSA-N 2 0 313.489 2.800 20 0 DFADRP C[C@H](NC(=O)CC[C@H]([NH3+])CC1CCCCC1)[C@H]1CCC[NH2+]C1 ZINC000424060695 429085470 /nfs/dbraw/zinc/08/54/70/429085470.db2.gz QPQBVAIICFYNLJ-XIRDDKMYSA-N 2 0 309.498 2.569 20 0 DFADRP CC[N@H+](C)C[C@H]1CCN(C(=O)C(C)(C)[C@H]([NH3+])c2ccccc2)C1 ZINC000423427158 429086089 /nfs/dbraw/zinc/08/60/89/429086089.db2.gz IICXTVQAGOCLFC-NVXWUHKLSA-N 2 0 317.477 2.513 20 0 DFADRP CCCN(C(=O)CC[C@H]([NH3+])CC1CCCCC1)[C@H]1CC[NH2+]C1 ZINC000424075632 429086764 /nfs/dbraw/zinc/08/67/64/429086764.db2.gz JXPHZQHSJNVQEP-IRXDYDNUSA-N 2 0 309.498 2.665 20 0 DFADRP COc1ccc([C@H](N[C@@H](C)CCCC[NH3+])[C@@H]2CCC[NH2+]2)cc1 ZINC000423428504 429087128 /nfs/dbraw/zinc/08/71/28/429087128.db2.gz JFKHCVFZMGTIDP-WBAXXEDZSA-N 2 0 305.466 2.595 20 0 DFADRP C[C@H](CCC[NH3+])[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000423444056 429089022 /nfs/dbraw/zinc/08/90/22/429089022.db2.gz AUMIQRYOOMUIGY-OQIJWPOYSA-N 3 0 301.478 2.899 20 0 DFADRP Cc1cc(C[NH3+])cc(NC(=O)N(C)CC[C@@H]2CCCC[N@@H+]2C)c1 ZINC000424443195 429143095 /nfs/dbraw/zinc/14/30/95/429143095.db2.gz ZTRHGZKDWPPPSA-KRWDZBQOSA-N 2 0 318.465 2.792 20 0 DFADRP CC[N@H+](Cc1ccc(C(=O)N[C@@H](C)CCCC[NH3+])cc1)C1CC1 ZINC000494691432 429143427 /nfs/dbraw/zinc/14/34/27/429143427.db2.gz PVSWXMQLLOOJJH-HNNXBMFYSA-N 2 0 317.477 2.918 20 0 DFADRP C[C@H]([NH2+]CC1CC[NH+](CC(=O)NC(C)(C)C)CC1)[C@H]1CC1(C)C ZINC000487260702 429145937 /nfs/dbraw/zinc/14/59/37/429145937.db2.gz AEWBCVJRJXMICE-GOEBONIOSA-N 2 0 323.525 2.637 20 0 DFADRP C[C@@H]1C[N@H+](CCCn2ccnc2)CC[C@H]1NC(=O)OC(C)(C)C ZINC000494713033 429147050 /nfs/dbraw/zinc/14/70/50/429147050.db2.gz UNNUKYAJHMZROX-HUUCEWRRSA-N 2 0 322.453 2.508 20 0 DFADRP C(CC[NH+]1CCC[C@H]2OCC[C@H]21)CC[N@@H+]1CCC[C@H]2OCC[C@H]21 ZINC000376680808 429157707 /nfs/dbraw/zinc/15/77/07/429157707.db2.gz OQLKJQOIERAECR-NCXUSEDFSA-N 2 0 322.493 2.663 20 0 DFADRP Cc1ccc([C@H](C)NC(=O)CN(C)[C@@H]2CCC[NH2+]CC2)cc1C ZINC000435615695 429152772 /nfs/dbraw/zinc/15/27/72/429152772.db2.gz JWRKBHBBZDGCGY-FUHWJXTLSA-N 2 0 317.477 2.555 20 0 DFADRP C[NH+]1CCN(C[C@H]2CCC[N@H+](CC3CCCCCC3)C2)CC1 ZINC000363996838 429155736 /nfs/dbraw/zinc/15/57/36/429155736.db2.gz GCRGZZMPRQMVRK-LJQANCHMSA-N 2 0 307.526 2.916 20 0 DFADRP CC[N@H+](CCCOc1ccc(OC)cc1)[C@H]1CCC[NH2+]CC1 ZINC000435625352 429156157 /nfs/dbraw/zinc/15/61/57/429156157.db2.gz HMJGGGRTJDVLCG-INIZCTEOSA-N 2 0 306.450 2.928 20 0 DFADRP Cc1cc(F)c(C[NH2+]CCCC[N@@H+]2CCC[C@H]2CO)c(F)c1 ZINC000424146005 429098294 /nfs/dbraw/zinc/09/82/94/429098294.db2.gz OQLVDNFCCBGZPO-AWEZNQCLSA-N 2 0 312.404 2.600 20 0 DFADRP CC[N@@H+]1CCC[C@H]1CNC(=O)CC[C@@H]([NH3+])CC1CCCCC1 ZINC000424144302 429098616 /nfs/dbraw/zinc/09/86/16/429098616.db2.gz XDFFDRIIBUYCKN-SJORKVTESA-N 2 0 309.498 2.665 20 0 DFADRP CC[N@@H+]1CCC[C@@H]1CNC(=O)CC[C@H]([NH3+])CC1CCCCC1 ZINC000424144292 429098788 /nfs/dbraw/zinc/09/87/88/429098788.db2.gz XDFFDRIIBUYCKN-DLBZAZTESA-N 2 0 309.498 2.665 20 0 DFADRP C[C@H]([NH2+][C@@H]1CC[C@H](C[NH3+])C1)c1ccc(-n2cncn2)cc1Cl ZINC000423492425 429099294 /nfs/dbraw/zinc/09/92/94/429099294.db2.gz MZXCNNXTSRUQIC-RWMBFGLXSA-N 2 0 319.840 2.699 20 0 DFADRP CC(C)OCCCC[NH2+][C@@H]1CC[N@H+](C[C@@H]2CCCO2)C[C@H]1C ZINC000376361137 429099559 /nfs/dbraw/zinc/09/95/59/429099559.db2.gz RODMNRBDSBPCGU-FGTMMUONSA-N 2 0 312.498 2.671 20 0 DFADRP CC[N@H+](C)C[C@@H]1CCN(C(=O)CC[C@@H]([NH3+])CC2CCCCC2)C1 ZINC000424147823 429099838 /nfs/dbraw/zinc/09/98/38/429099838.db2.gz SITLIJFUVJLROY-ZWKOTPCHSA-N 2 0 323.525 2.865 20 0 DFADRP C[N@@H+]1CC[C@H](N[C@@H](C[NH3+])C2CCCC2)C[C@@H]1c1ccccc1 ZINC000423506199 429101097 /nfs/dbraw/zinc/10/10/97/429101097.db2.gz OWXZYIGUOVBSPY-GBESFXJTSA-N 2 0 301.478 2.929 20 0 DFADRP CCOC(=O)c1oc2c(c1C)[C@H]([NH2+][C@@H]1CC[C@@H](C[NH3+])C1)CCC2 ZINC000423500097 429102223 /nfs/dbraw/zinc/10/22/23/429102223.db2.gz IGDXQOKIIQHWLG-MGPQQGTHSA-N 2 0 320.433 2.859 20 0 DFADRP COc1cc([C@@H](C)[N@@H+]2C[C@@H](C)[C@](C)(C[NH3+])C2)cc(OC)c1OC ZINC000423505554 429102342 /nfs/dbraw/zinc/10/23/42/429102342.db2.gz HCPCQRXVBQLSGX-SNUQEOBHSA-N 2 0 322.449 2.690 20 0 DFADRP [NH3+]CC[C@@H]1CCCCN1C(=O)CC[C@@H]([NH3+])CC1CCCCC1 ZINC000424176028 429104737 /nfs/dbraw/zinc/10/47/37/429104737.db2.gz OHZHWCGCSFVAGM-SJORKVTESA-N 2 0 309.498 2.794 20 0 DFADRP [NH3+]CC[C@@H]1CCCN(C(=O)CC[C@H]([NH3+])CC2CCCCC2)C1 ZINC000424175734 429105370 /nfs/dbraw/zinc/10/53/70/429105370.db2.gz OAWKEHZPXKQUBB-IRXDYDNUSA-N 2 0 309.498 2.652 20 0 DFADRP [NH3+]C1(C[NH2+][C@@H]2[C@H]3CCO[C@@H]3C23CCC3)C2CC3CC(C2)CC1C3 ZINC000423520601 429105935 /nfs/dbraw/zinc/10/59/35/429105935.db2.gz FFHOZZKRRRZHKQ-AHHWSCLSSA-N 2 0 316.489 2.687 20 0 DFADRP CCOCCC[N@H+](C)C[C@@H]1CCCN(CC)[C@H]1c1cnn(C)c1 ZINC000434735887 429109734 /nfs/dbraw/zinc/10/97/34/429109734.db2.gz JWVIFOPLGGBWOG-FUHWJXTLSA-N 2 0 322.497 2.552 20 0 DFADRP CC(C)[C@H](Cn1cccn1)[NH2+]CC1([NH3+])C2CC3CC(C2)CC1C3 ZINC000423534250 429109970 /nfs/dbraw/zinc/10/99/70/429109970.db2.gz ZSUHJAKNXFYWOZ-YXOSVLIBSA-N 2 0 316.493 2.651 20 0 DFADRP CO[C@@H]1[C@H](C)[C@H]([NH2+]CC2([NH3+])C3CC4CC(C3)CC2C4)C12CCC2 ZINC000423530665 429111108 /nfs/dbraw/zinc/11/11/08/429111108.db2.gz RQPBSRWONAMDJV-GWHFVUTDSA-N 2 0 318.505 2.933 20 0 DFADRP Cc1c[nH+]ccc1NCc1ccc(OC2CC[NH+](C)CC2)cc1 ZINC000376467682 429117339 /nfs/dbraw/zinc/11/73/39/429117339.db2.gz PNAUFIWIMZKPNR-UHFFFAOYSA-N 2 0 311.429 2.897 20 0 DFADRP C[C@@H]1CC2(C[N@@H+]1CCc1nc3ccccc3n1C)CC[NH2+]CC2 ZINC000424297533 429121015 /nfs/dbraw/zinc/12/10/15/429121015.db2.gz SVQZDZTYJOLTDX-OAHLLOKOSA-N 2 0 312.461 2.580 20 0 DFADRP COCCCCC[N@H+](Cc1nccs1)[C@H]1CC12CC[NH2+]CC2 ZINC000435686499 429157119 /nfs/dbraw/zinc/15/71/19/429157119.db2.gz VNSXUJXHHKNMDR-HNNXBMFYSA-N 2 0 323.506 2.904 20 0 DFADRP C[C@@H]1CC2(C[N@@H+]1Cc1cnc([C@@H]3CCCO3)s1)CC[NH2+]CC2 ZINC000424370446 429130721 /nfs/dbraw/zinc/13/07/21/429130721.db2.gz CHURAPSMLUVGIT-HIFRSBDPSA-N 2 0 321.490 2.959 20 0 DFADRP Cc1cccc(NC(=O)C[C@@H](C)[NH2+][C@@H]2CCCC[C@H]2[NH3+])c1C ZINC000424368401 429132563 /nfs/dbraw/zinc/13/25/63/429132563.db2.gz PVLRYBYEMBELJE-FRFSOERESA-N 2 0 303.450 2.880 20 0 DFADRP C[C@@H](N[C@@H]1CCCC[C@H]1[NH3+])c1ccc(OCC[NH+](C)C)cc1 ZINC000424381054 429132699 /nfs/dbraw/zinc/13/26/99/429132699.db2.gz YCOMAYLULLVGFN-ZTFGCOKTSA-N 2 0 305.466 2.548 20 0 DFADRP CCN(C)c1ccc(C[N@@H+]2CC3(C[C@@H]2C)CC[NH2+]CC3)cn1 ZINC000424385253 429132905 /nfs/dbraw/zinc/13/29/05/429132905.db2.gz WETQJZNYKYIXBF-HNNXBMFYSA-N 2 0 302.466 2.502 20 0 DFADRP C[NH+](C)Cc1ccccc1C(=O)NCC1(C[NH+](C)C)CCCC1 ZINC000487118310 429133520 /nfs/dbraw/zinc/13/35/20/429133520.db2.gz QKHDPHSAKCAJOF-UHFFFAOYSA-N 2 0 317.477 2.600 20 0 DFADRP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)CC[C@H]2CCC[NH2+]2)C1 ZINC000494637786 429134805 /nfs/dbraw/zinc/13/48/05/429134805.db2.gz NCSRGQGNKGXHSJ-KZNAEPCWSA-N 2 0 321.509 2.632 20 0 DFADRP COc1cc2[nH+]ccc(N[C@@H](C)CC[NH3+])c2cc1Br ZINC000424410716 429135518 /nfs/dbraw/zinc/13/55/18/429135518.db2.gz ISOWNZOIYJIXQE-VIFPVBQESA-N 2 0 324.222 2.577 20 0 DFADRP COc1cc2[nH+]ccc(NCC[C@H](C)[NH3+])c2cc1Br ZINC000424410542 429136061 /nfs/dbraw/zinc/13/60/61/429136061.db2.gz IRFZTYULHHATGB-VIFPVBQESA-N 2 0 324.222 2.577 20 0 DFADRP CN(C)c1ccncc1C(=O)Nc1cccc2c1C[N@@H+](C1CC1)C2 ZINC000363896677 429137114 /nfs/dbraw/zinc/13/71/14/429137114.db2.gz NDTNJNULRFVBET-UHFFFAOYSA-N 2 0 322.412 2.878 20 0 DFADRP Cc1cc(C[NH3+])cc(NC(=O)NCC[N@@H+](C)C2CCCCC2)c1 ZINC000424417347 429138083 /nfs/dbraw/zinc/13/80/83/429138083.db2.gz ACWVPGHHXHTGGI-UHFFFAOYSA-N 2 0 318.465 2.840 20 0 DFADRP CC(C)[C@H](C(=O)NC1CC([NH+]2CCCCC2)C1)[NH+]1CCCCC1 ZINC000376564185 429139111 /nfs/dbraw/zinc/13/91/11/429139111.db2.gz ANXZOBNMNCVXOO-DAWZGUTISA-N 2 0 321.509 2.630 20 0 DFADRP COc1ccc(-c2ccncc2)cc1C[NH+]1CCC(C[NH3+])CC1 ZINC000435391170 429140511 /nfs/dbraw/zinc/14/05/11/429140511.db2.gz VORGQVVIOLWLLI-UHFFFAOYSA-N 2 0 311.429 2.928 20 0 DFADRP CCCC[N@H+](C)C[C@H](C)NC(=O)Nc1cc(C)cc(C[NH3+])c1 ZINC000424425917 429140621 /nfs/dbraw/zinc/14/06/21/429140621.db2.gz KRHKPBKMINEJSJ-AWEZNQCLSA-N 2 0 306.454 2.696 20 0 DFADRP Cc1cc(C[NH3+])cc(NC(=O)N(C)CC[C@H]2CCCC[N@@H+]2C)c1 ZINC000424443197 429140978 /nfs/dbraw/zinc/14/09/78/429140978.db2.gz ZTRHGZKDWPPPSA-QGZVFWFLSA-N 2 0 318.465 2.792 20 0 DFADRP C[C@H]1C[N@H+](C)C[C@H]1C(=O)Nc1ccc(Cl)c(CN(C)C)c1 ZINC000487527294 429160022 /nfs/dbraw/zinc/16/00/22/429160022.db2.gz ZVLZRWGYNIMVTM-SMDDNHRTSA-N 2 0 309.841 2.538 20 0 DFADRP CC[NH+](CC)CCCCNC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000487618621 429162509 /nfs/dbraw/zinc/16/25/09/429162509.db2.gz PBCMYLABPDSFIQ-KRWDZBQOSA-N 2 0 323.525 2.879 20 0 DFADRP CCC(CC)[C@H](C[NH2+][C@@H]1CCC(=O)NC1(C)C)[NH+]1CCCC1 ZINC000494923036 429165266 /nfs/dbraw/zinc/16/52/66/429165266.db2.gz MJEOAGDCLSZKIS-JKSUJKDBSA-N 2 0 309.498 2.534 20 0 DFADRP CC[N@H+](CCC[NH2+]C)CCOc1ccc(Br)cc1 ZINC000435879510 429170389 /nfs/dbraw/zinc/17/03/89/429170389.db2.gz KPOURFDCTLSLKV-UHFFFAOYSA-N 2 0 315.255 2.759 20 0 DFADRP CCCN(CC[NH+]1CCCCCC1)C(=O)CC1CC[NH+](C)CC1 ZINC000494841287 429158439 /nfs/dbraw/zinc/15/84/39/429158439.db2.gz AJERYVDNXABLPH-UHFFFAOYSA-N 2 0 323.525 2.833 20 0 DFADRP c1ccc2c(c1)-c1ccccc1C2[N@@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000261690614 275069057 /nfs/dbraw/zinc/06/90/57/275069057.db2.gz NQAFXMGODVESCY-INIZCTEOSA-N 2 0 319.452 2.736 20 0 DFADRP CCO[C@@H]1C[C@H]([NH2+]CC2CC[NH+](C)CC2)[C@H]1Oc1ccccc1 ZINC000364321548 429181538 /nfs/dbraw/zinc/18/15/38/429181538.db2.gz CJJQHCBMYLJQHR-IPMKNSEASA-N 2 0 318.461 2.543 20 0 DFADRP CCO[C@@H]1C[C@@H]([NH2+]CC2CC[NH+](C)CC2)[C@@H]1Oc1ccccc1 ZINC000364321550 429181727 /nfs/dbraw/zinc/18/17/27/429181727.db2.gz CJJQHCBMYLJQHR-QRVBRYPASA-N 2 0 318.461 2.543 20 0 DFADRP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC[C@H]1CCC[NH+]1C1CCCCC1 ZINC000436297774 429195868 /nfs/dbraw/zinc/19/58/68/429195868.db2.gz NXPUSLGUIHFJMD-LZQZEXGQSA-N 2 0 305.510 2.856 20 0 DFADRP C/C(=C/c1ccccc1)C[NH2+]CCCC[N@@H+]1CCC[C@@H]1CO ZINC000111386706 275398854 /nfs/dbraw/zinc/39/88/54/275398854.db2.gz SUBBQBSWMXKIEO-RBAUTDOXSA-N 2 0 302.462 2.916 20 0 DFADRP C[C@@H](CC[NH+](C)C)[NH2+]C[C@@]1(C)CCN(C(=O)OC(C)(C)C)C1 ZINC000495459181 429210939 /nfs/dbraw/zinc/21/09/39/429210939.db2.gz PULQVCPCEYPYNT-WMLDXEAASA-N 2 0 313.486 2.563 20 0 DFADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]C1CC(O)(Cc2cccc(F)c2)C1 ZINC000364477543 429210991 /nfs/dbraw/zinc/21/09/91/429210991.db2.gz ANJTVNHDKHGORZ-RRYUZERASA-N 2 0 320.452 2.580 20 0 DFADRP CCC[N@H+](C)CC(=O)N(CC[NH+]1CCCCCC1)C1CCC1 ZINC000488896610 429205088 /nfs/dbraw/zinc/20/50/88/429205088.db2.gz LDCCLRLNIJFFNZ-UHFFFAOYSA-N 2 0 309.498 2.585 20 0 DFADRP CCn1ccnc1[C@H](C)NC(=O)c1sccc1C[NH+](C)C ZINC000456362120 429288109 /nfs/dbraw/zinc/28/81/09/429288109.db2.gz TUGPIMPMLRIVHW-NSHDSACASA-N 2 0 306.435 2.517 20 0 DFADRP C[C@@H]1C[C@H](C[NH3+])C[N@@H+]1CCOc1ccc(OC(F)(F)F)cc1 ZINC000442769163 429234811 /nfs/dbraw/zinc/23/48/11/429234811.db2.gz MYJUBQXQMJLUFP-VXGBXAGGSA-N 2 0 318.339 2.633 20 0 DFADRP c1cc2c(ncnc2N2C[C@H]3CC[N@@H+](Cc4ccccc4)[C@H]3C2)[nH]1 ZINC000425274657 429256338 /nfs/dbraw/zinc/25/63/38/429256338.db2.gz LUIFBVYWPTXLFH-WBVHZDCISA-N 2 0 319.412 2.669 20 0 DFADRP Nc1cc[nH+]cc1C(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC000444170436 429267803 /nfs/dbraw/zinc/26/78/03/429267803.db2.gz UPEXWMOJKKGJSO-UHFFFAOYSA-N 2 0 324.428 2.775 20 0 DFADRP CCC[N@H+](CC)Cc1ccc(C(=O)NCC[C@H]2CCC[NH2+]2)cc1 ZINC000444260578 429268044 /nfs/dbraw/zinc/26/80/44/429268044.db2.gz SLEQHVSAEGNHLR-GOSISDBHSA-N 2 0 317.477 2.790 20 0 DFADRP CC(C)[C@H](C(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C)[NH+](C)C ZINC000456275902 429269076 /nfs/dbraw/zinc/26/90/76/429269076.db2.gz NHAQMRAEWULOTP-DLBZAZTESA-N 2 0 303.450 2.760 20 0 DFADRP C[C@H]1C[C@@H](C(=O)Nc2ccc3c(c2)CC[C@H]3[NH+](C)C)CC[N@@H+]1C ZINC000456305337 429273655 /nfs/dbraw/zinc/27/36/55/429273655.db2.gz HXPAYKUHNRLFGX-DHSIGJKJSA-N 2 0 315.461 2.904 20 0 DFADRP CC(C)COc1ccccc1C[NH2+]CCCC[NH+]1CCOCC1 ZINC000449082127 429327467 /nfs/dbraw/zinc/32/74/67/429327467.db2.gz KQCBLMHYVXBFOP-UHFFFAOYSA-N 2 0 320.477 2.923 20 0 DFADRP C[C@@H]1C[NH+](CCCC[NH2+][C@@H]2CCOC3(CCC3)C2)C[C@@H](C)O1 ZINC000449104129 429332408 /nfs/dbraw/zinc/33/24/08/429332408.db2.gz UHZXTJWAPGRMPH-BRWVUGGUSA-N 2 0 310.482 2.567 20 0 DFADRP C[C@@H]1CC[C@@H](C)[C@@H]([NH2+]C2CCN(C3CC[NH+](C)CC3)CC2)C1 ZINC000449104599 429333499 /nfs/dbraw/zinc/33/34/99/429333499.db2.gz ANHMVKAGAUDFKO-MDZRGWNJSA-N 2 0 307.526 2.959 20 0 DFADRP CCC[NH2+][C@H](C)C(=O)NC1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC000449122771 429337915 /nfs/dbraw/zinc/33/79/15/429337915.db2.gz AKFLJDYJKYNOQD-HZPDHXFCSA-N 2 0 317.477 2.716 20 0 DFADRP CCC[NH2+][C@H](C)C(=O)NC1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000449122767 429338919 /nfs/dbraw/zinc/33/89/19/429338919.db2.gz AKFLJDYJKYNOQD-CVEARBPZSA-N 2 0 317.477 2.716 20 0 DFADRP CC(C)[C@@H](O)C[NH2+]C1CC[NH+]([C@@H](C)Cc2ccccc2)CC1 ZINC000449143297 429343285 /nfs/dbraw/zinc/34/32/85/429343285.db2.gz PYSNAKCKMAVIIO-LPHOPBHVSA-N 2 0 304.478 2.689 20 0 DFADRP COC(=O)[C@H](CC[N@H+](C)C[C@H]1CCC[NH+](C)C1)c1ccccc1 ZINC000425424209 429292426 /nfs/dbraw/zinc/29/24/26/429292426.db2.gz VZWUYMMOSBAECN-FUHWJXTLSA-N 2 0 318.461 2.607 20 0 DFADRP COC(=O)[C@@H](CC[N@H+](C)C[C@@H]1CCC[NH+](C)C1)c1ccccc1 ZINC000425424207 429293329 /nfs/dbraw/zinc/29/33/29/429293329.db2.gz VZWUYMMOSBAECN-AEFFLSMTSA-N 2 0 318.461 2.607 20 0 DFADRP C[C@@H]1C[C@H](NC(=O)c2ccc(C[NH+]3CCCC3)cc2)c2nccn21 ZINC000456432836 429306325 /nfs/dbraw/zinc/30/63/25/429306325.db2.gz TWKRPUNKCVELIU-PBHICJAKSA-N 2 0 324.428 2.915 20 0 DFADRP C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)C[C@@H]2CCCC[C@H]2[NH3+])C1 ZINC000449336669 429391268 /nfs/dbraw/zinc/39/12/68/429391268.db2.gz OGFGLVLOSQSHNF-OWCLPIDISA-N 2 0 309.498 2.521 20 0 DFADRP FC(F)c1nc(C2CCN(CCC[NH+]3CCCC3)CC2)no1 ZINC000365879836 429394976 /nfs/dbraw/zinc/39/49/76/429394976.db2.gz VWGLEQWQSBKPLS-UHFFFAOYSA-N 2 0 314.380 2.673 20 0 DFADRP CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)[C@H]2CCCC[NH+]2C2CCCC2)C1 ZINC000457084828 429396800 /nfs/dbraw/zinc/39/68/00/429396800.db2.gz GWFOMZCMFNLKFK-QZTJIDSGSA-N 2 0 321.509 2.725 20 0 DFADRP Cn1ccnc1[C@H]([NH2+][C@H]1CC[C@H](C[NH3+])C1)c1ccc(Cl)cc1 ZINC000517918867 429403639 /nfs/dbraw/zinc/40/36/39/429403639.db2.gz WAOXKCPFNHWBDO-VBNZEHGJSA-N 2 0 318.852 2.880 20 0 DFADRP C[C@H](C[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@H]21)N1CCc2ccccc21 ZINC000513689415 429362735 /nfs/dbraw/zinc/36/27/35/429362735.db2.gz BVIZAKQYGVEEDM-QEEHTWDDSA-N 2 0 313.489 2.900 20 0 DFADRP COC[C@H](C[NH2+]C1CC[NH+](C(C)(C)CC(C)(C)C)CC1)OC ZINC000449232315 429364061 /nfs/dbraw/zinc/36/40/61/429364061.db2.gz HRVAOYQXCKFIRA-INIZCTEOSA-N 2 0 314.514 2.917 20 0 DFADRP Fc1cnccc1C[NH2+]CC1CCN(c2cc[nH+]cc2)CC1 ZINC000449251743 429368154 /nfs/dbraw/zinc/36/81/54/429368154.db2.gz OXEPNBUNUACPIK-UHFFFAOYSA-N 2 0 300.381 2.622 20 0 DFADRP C[C@H](C[NH2+]Cc1ccc(OCC(F)(F)F)cc1)C[NH+](C)C ZINC000491588413 429377067 /nfs/dbraw/zinc/37/70/67/429377067.db2.gz IFZDQABVXPVELI-GFCCVEGCSA-N 2 0 304.356 2.915 20 0 DFADRP C[C@@H]([NH2+][C@H]1CN(C2CC2)C[C@H]1C)[C@H]1OCCc2sccc21 ZINC000426307997 429380703 /nfs/dbraw/zinc/38/07/03/429380703.db2.gz UOKAFGAHCJXOLO-BKBUGSPTSA-N 2 0 306.475 2.823 20 0 DFADRP COc1cc2c(cc1C[NH2+]CC[C@H]1CCC[N@H+](C)C1)O[C@H](C)C2 ZINC000518924320 429439858 /nfs/dbraw/zinc/43/98/58/429439858.db2.gz CIYNBORRGXRONJ-HUUCEWRRSA-N 2 0 318.461 2.840 20 0 DFADRP C[NH+](C)C1(CNC(=O)C[C@@H]2CCC[NH2+]CC2)CCCCCC1 ZINC000427278305 429441629 /nfs/dbraw/zinc/44/16/29/429441629.db2.gz XYVBYRDOMJUEGU-MRXNPFEDSA-N 2 0 309.498 2.537 20 0 DFADRP Cc1cc(C[NH2+]C(C)(C)CCC[NH+](C)C)ccc1-n1cncn1 ZINC000449528805 429446800 /nfs/dbraw/zinc/44/68/00/429446800.db2.gz SCRFJYADTUKPFK-UHFFFAOYSA-N 2 0 315.465 2.786 20 0 DFADRP c1csc([C@H]([NH2+]C[C@H]2CCCn3ccnc32)c2ncc[nH]2)c1 ZINC000366440577 429452737 /nfs/dbraw/zinc/45/27/37/429452737.db2.gz BWMHOPLMORLMIH-OCCSQVGLSA-N 2 0 313.430 2.924 20 0 DFADRP CCC1(C[NH2+][C@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)COC1 ZINC000449602453 429460261 /nfs/dbraw/zinc/46/02/61/429460261.db2.gz DHTRLDGDIDSUMQ-SJLPKXTDSA-N 2 0 302.462 2.913 20 0 DFADRP CC(C)C[C@@H](CNC(=O)C[NH2+]C1CC1)[NH2+][C@H](C)c1ccccc1 ZINC000519541814 429463603 /nfs/dbraw/zinc/46/36/03/429463603.db2.gz MRWNGSSVQWIZFI-QAPCUYQASA-N 2 0 317.477 2.620 20 0 DFADRP CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)C1(C[NH+](C)C)CCCCC1 ZINC000426781055 429416359 /nfs/dbraw/zinc/41/63/59/429416359.db2.gz XRLXELRDGNFLBR-KRWDZBQOSA-N 2 0 323.525 2.831 20 0 DFADRP CC[N@@H+]1CC[C@H](N(C)C(=O)C2(C[NH+](C)C)CCCCC2)C[C@@H]1C ZINC000426789143 429418030 /nfs/dbraw/zinc/41/80/30/429418030.db2.gz SAEKNZULDDACOG-IRXDYDNUSA-N 2 0 323.525 2.830 20 0 DFADRP CC[C@H]([NH3+])C[NH2+][C@H](C)CC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000518491445 429423486 /nfs/dbraw/zinc/42/34/86/429423486.db2.gz BCFHXMLYLXHQCX-PWSUYJOCSA-N 2 0 317.355 2.749 20 0 DFADRP C[N@H+](Cc1ccccc1)CC(C)(C)CN1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000427119880 429432211 /nfs/dbraw/zinc/43/22/11/429432211.db2.gz NNCWDPKVUJYDOZ-RTBURBONSA-N 2 0 315.505 2.828 20 0 DFADRP COc1ccc(C(C)(C)C[NH2+][C@H](C)[C@@H]2CCC[NH2+]C2)cc1OC ZINC000520761891 429527738 /nfs/dbraw/zinc/52/77/38/429527738.db2.gz ONOLFFXNRWEULB-HUUCEWRRSA-N 2 0 320.477 2.959 20 0 DFADRP C[C@@H]1CCC[C@H]([NH+]2CCC([NH2+][C@@H]3CCn4ccnc4C3)CC2)C1 ZINC000427873923 429475646 /nfs/dbraw/zinc/47/56/46/429475646.db2.gz LZGMSKFDTNXACO-NXHRZFHOSA-N 2 0 316.493 2.831 20 0 DFADRP COC(=O)CC[C@H]([NH2+][C@H](C)[C@H]1CCC[NH2+]C1)c1ccccc1 ZINC000519767562 429486081 /nfs/dbraw/zinc/48/60/81/429486081.db2.gz XUARHYSTLLOEDK-PVAVHDDUSA-N 2 0 304.434 2.659 20 0 DFADRP Cc1cc(C)n(-c2ccc(C[N@@H+]3CC[C@H]4[NH2+]CC[C@@H]4C3)cc2)n1 ZINC000428041063 429486198 /nfs/dbraw/zinc/48/61/98/429486198.db2.gz NLRAECARMOILHD-IEBWSBKVSA-N 2 0 310.445 2.673 20 0 DFADRP C[C@@H](Cc1ccccc1)[NH+]1CCC([NH2+][C@@H]2CCC[C@@H]2CO)CC1 ZINC000449714126 429486482 /nfs/dbraw/zinc/48/64/82/429486482.db2.gz ZPLUPTMFYXJHCK-ILZDJORESA-N 2 0 316.489 2.833 20 0 DFADRP CC(C)[C@@H](O)C[NH2+][C@@H]1CCN(Cc2ccccc2)CC1(C)C ZINC000366604151 429486589 /nfs/dbraw/zinc/48/65/89/429486589.db2.gz RXEARFGBGSPKRM-ZWKOTPCHSA-N 2 0 304.478 2.894 20 0 DFADRP CC[N@H+](Cc1ccc(C(=O)N[C@H]2CC[C@H](C[NH3+])C2)cc1)C1CC1 ZINC000449722338 429488143 /nfs/dbraw/zinc/48/81/43/429488143.db2.gz KPJZHPOGGLTHHZ-RDJZCZTQSA-N 2 0 315.461 2.528 20 0 DFADRP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+]C[C@@H](O)C2CCC2)CC1 ZINC000449739973 429493071 /nfs/dbraw/zinc/49/30/71/429493071.db2.gz NALKLKRYNFTZPD-OXQOHEQNSA-N 2 0 316.489 2.833 20 0 DFADRP CC[NH+]1CCN(CC(C)(C)[NH2+]Cc2ccc(SC)cc2)CC1 ZINC000449757901 429500762 /nfs/dbraw/zinc/50/07/62/429500762.db2.gz YTQGGAYVOJDMQM-UHFFFAOYSA-N 2 0 321.534 2.914 20 0 DFADRP C[N@@H+]1CC[C@@]2(CCN(CCOc3ccc(Cl)c(F)c3)C2)C1 ZINC000429024777 429573615 /nfs/dbraw/zinc/57/36/15/429573615.db2.gz HIHAITPQNRBOCG-MRXNPFEDSA-N 2 0 312.816 2.886 20 0 DFADRP C[NH+]1CCN(C[C@@H]2CCC[N@H+](CCCc3ccccc3)C2)CC1 ZINC000367110052 429581582 /nfs/dbraw/zinc/58/15/82/429581582.db2.gz LHRUBZDERIWNEI-HXUWFJFHSA-N 2 0 315.505 2.579 20 0 DFADRP Cc1ccc(CCC[N@@H+]2CC[C@@H](NC(=O)OC(C)(C)C)C2)cn1 ZINC000492634605 429582808 /nfs/dbraw/zinc/58/28/08/429582808.db2.gz MSUIRHNRDYOHOP-MRXNPFEDSA-N 2 0 319.449 2.922 20 0 DFADRP C[C@@H]1C[C@H]([NH2+]C[C@@]2(CO)C[C@H]2c2ccc(F)cc2)CN1C1CC1 ZINC000428544709 429533211 /nfs/dbraw/zinc/53/32/11/429533211.db2.gz UHWNXKGWYQGKCS-SKSLQVBQSA-N 2 0 318.436 2.507 20 0 DFADRP C[C@@H]1CCCC[N@@H+]1CCC1CC[NH+](Cc2cnccn2)CC1 ZINC000521204828 429541314 /nfs/dbraw/zinc/54/13/14/429541314.db2.gz XHXPGJCAFTXVCT-MRXNPFEDSA-N 2 0 302.466 2.953 20 0 DFADRP CC(C)n1nccc1[C@H]1OCC[C@@H]1[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000492816127 429621933 /nfs/dbraw/zinc/62/19/33/429621933.db2.gz LDFCBJQUYJOXDY-DFGXFYAUSA-N 2 0 318.465 2.510 20 0 DFADRP CCc1ccc2[nH+]ccc(N3CC[N@H+](C[C@@H](C)O)C[C@@H]3C)c2c1 ZINC000450452764 429629843 /nfs/dbraw/zinc/62/98/43/429629843.db2.gz ICFLXICAEWGFFC-LSDHHAIUSA-N 2 0 313.445 2.689 20 0 DFADRP CC[NH+](CC)CCO[C@H]1CC[N@H+](Cc2ccc(C(C)=O)cc2)C1 ZINC000450456807 429630712 /nfs/dbraw/zinc/63/07/12/429630712.db2.gz ULXANWLROLLOBC-IBGZPJMESA-N 2 0 318.461 2.822 20 0 DFADRP CO[C@@H](Cc1ccccc1)C[N@@H+]1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000450456405 429632156 /nfs/dbraw/zinc/63/21/56/429632156.db2.gz SRKAJSGGDRGTBA-UXHICEINSA-N 2 0 316.489 2.908 20 0 DFADRP CCc1cc(N2CC[C@H](C[N@H+](C)Cc3cccnc3)C2)cc[nH+]1 ZINC000450463614 429634370 /nfs/dbraw/zinc/63/43/70/429634370.db2.gz QPQCPWORHQVMOW-QGZVFWFLSA-N 2 0 310.445 2.997 20 0 DFADRP CC[N@@H+]1CC[C@H](N(C)CC[NH+](C)Cc2ccccc2)C[C@@H]1C ZINC000450465272 429634407 /nfs/dbraw/zinc/63/44/07/429634407.db2.gz DUYGNCQERDBMGW-HKUYNNGSSA-N 2 0 303.494 2.923 20 0 DFADRP CC[N@@H+]1CC[C@@H](N(C)CC(=O)Nc2ccc(C)cc2F)[C@@H](C)C1 ZINC000429809159 429634922 /nfs/dbraw/zinc/63/49/22/429634922.db2.gz QVFVDWKEIVPTJA-WMLDXEAASA-N 2 0 321.440 2.735 20 0 DFADRP [NH3+][C@H]1CCCCCC[C@H]1C(=O)Nc1ccc2c(c1)C[NH2+]CC2 ZINC000429339818 429600907 /nfs/dbraw/zinc/60/09/07/429600907.db2.gz RWIVCLUNZGKFSN-SJORKVTESA-N 2 0 301.434 2.569 20 0 DFADRP CC1(C)NC(=O)CC[C@H]1[NH2+]C1CC[NH+](CC2CCCCC2)CC1 ZINC000367243594 429603654 /nfs/dbraw/zinc/60/36/54/429603654.db2.gz ASQVKBGNRYPOKV-QGZVFWFLSA-N 2 0 321.509 2.678 20 0 DFADRP C[C@H]1C[NH+](CC2CC[NH+](CC3CC(F)(F)C3)CC2)C[C@H](C)O1 ZINC000450340405 429605477 /nfs/dbraw/zinc/60/54/77/429605477.db2.gz FLJVERLCNLKFKL-KBPBESRZSA-N 2 0 316.436 2.853 20 0 DFADRP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)C[C@H]2CCCCC2(F)F)CC1 ZINC000450362506 429608134 /nfs/dbraw/zinc/60/81/34/429608134.db2.gz GHWXHIDMIVAGLA-GDBMZVCRSA-N 2 0 318.452 2.837 20 0 DFADRP OC[C@H](CC(F)F)[NH2+][C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000429453800 429609215 /nfs/dbraw/zinc/60/92/15/429609215.db2.gz RWLPWJIGNWXAQO-MWDXBVQZSA-N 2 0 324.415 2.503 20 0 DFADRP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)C[C@@H]2CCCCC2(F)F)CC1 ZINC000450362509 429610128 /nfs/dbraw/zinc/61/01/28/429610128.db2.gz GHWXHIDMIVAGLA-ZBFHGGJFSA-N 2 0 318.452 2.837 20 0 DFADRP C[C@H]([NH3+])c1ccc(CNC(=O)c2sccc2C[NH+](C)C)cc1 ZINC000429469856 429611664 /nfs/dbraw/zinc/61/16/64/429611664.db2.gz GNPYTBZPNZSJJQ-LBPRGKRZSA-N 2 0 317.458 2.759 20 0 DFADRP C[C@H]([NH3+])c1ccc(CNC(=O)[C@H]2CCCCCC[C@H]2[NH3+])cc1 ZINC000429507018 429613065 /nfs/dbraw/zinc/61/30/65/429613065.db2.gz BUBRAEDPSXMOBJ-RRQGHBQHSA-N 2 0 303.450 2.620 20 0 DFADRP C[N@@H+]1CCC[C@@H](N2CC[NH+](CC3CCC(C)(C)CC3)CC2)C1 ZINC000367472273 429658227 /nfs/dbraw/zinc/65/82/27/429658227.db2.gz HNPGRNNZSHUDSJ-GOSISDBHSA-N 2 0 307.526 2.915 20 0 DFADRP CN(CC[N@H+](C)C[C@H]1CCCCC1(F)F)C1CC[NH+](C)CC1 ZINC000450624460 429664355 /nfs/dbraw/zinc/66/43/55/429664355.db2.gz AQHUXIUFIYLRAP-OAHLLOKOSA-N 2 0 317.468 2.770 20 0 DFADRP CC(C)[C@H](CCc1ccccc1)[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000360252290 276016118 /nfs/dbraw/zinc/01/61/18/276016118.db2.gz VWXIQCHCRSJOMR-MOPGFXCFSA-N 2 0 304.478 2.690 20 0 DFADRP CO[C@H](Cc1ccccc1)C[NH+]1CCC2(CCC[N@@H+]2C)CC1 ZINC000450642148 429668205 /nfs/dbraw/zinc/66/82/05/429668205.db2.gz HAOYAPQLXDKVKA-GOSISDBHSA-N 2 0 302.462 2.804 20 0 DFADRP CCC[C@H]([NH2+]C(C)C)C(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccccc1 ZINC000355232872 276044280 /nfs/dbraw/zinc/04/42/80/276044280.db2.gz HJXUQNZMEHHWKU-SQNIBIBYSA-N 2 0 317.477 2.715 20 0 DFADRP C[C@H](c1ccccc1)[C@@H](O)C[N@@H+]1CC[C@@H](C)[C@H](n2ccnc2)C1 ZINC000450590054 429654162 /nfs/dbraw/zinc/65/41/62/429654162.db2.gz HTGUUKSVQQCDCA-RWQQGDIJSA-N 2 0 313.445 2.931 20 0 DFADRP CC[N@H+](C)Cc1cccc(CNC(=[NH2+])N2CCC(C)CC2)c1 ZINC000303258593 276075568 /nfs/dbraw/zinc/07/55/68/276075568.db2.gz LAVXWZDUDDYVEF-UHFFFAOYSA-N 2 0 302.466 2.895 20 0 DFADRP C[C@@H](c1csnn1)N(C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000450648389 429671282 /nfs/dbraw/zinc/67/12/82/429671282.db2.gz YIFXQFJBVLUCFQ-ZDUSSCGKSA-N 2 0 317.462 2.843 20 0 DFADRP CCO[C@@H](CC[NH+](C)C)C[NH2+][C@H](c1ncc[nH]1)C1CCCCC1 ZINC000367597614 429679615 /nfs/dbraw/zinc/67/96/15/429679615.db2.gz BXZHUZQHYUPXSC-IRXDYDNUSA-N 2 0 322.497 2.978 20 0 DFADRP CC1=C[C@H](C)C[C@@H](C[NH+]2CCN([C@@H]3CCC[N@H+](C)C3)CC2)C1 ZINC000365665251 276185477 /nfs/dbraw/zinc/18/54/77/276185477.db2.gz FHELSSZFIBMOPX-QXAKKESOSA-N 2 0 305.510 2.691 20 0 DFADRP CCN1CC[NH+](CCCC[NH2+][C@H](C)C2CCSCC2)CC1 ZINC000186999441 276194742 /nfs/dbraw/zinc/19/47/42/276194742.db2.gz VUSXSYBXEUMTES-MRXNPFEDSA-N 2 0 313.555 2.525 20 0 DFADRP CCN1CC[NH+](CCCC[NH2+]C[C@@H]2C(C)=CCC[C@@H]2C)CC1 ZINC000133992860 276194801 /nfs/dbraw/zinc/19/48/01/276194801.db2.gz RQOJAEWRLQIWLE-RBUKOAKNSA-N 2 0 307.526 2.986 20 0 DFADRP CC[NH+]1CCN(CCC[NH2+][C@H]2C[C@H](C)c3ccccc32)CC1 ZINC000289153765 276195623 /nfs/dbraw/zinc/19/56/23/276195623.db2.gz GOFVIPLCVRJKTF-LPHOPBHVSA-N 2 0 301.478 2.852 20 0 DFADRP CC[NH+]1CCN([C@@H]2CC[N@@H+]([C@H]3CCc4ccc(F)cc43)C2)CC1 ZINC000247401338 276198646 /nfs/dbraw/zinc/19/86/46/276198646.db2.gz XJNNYXLWTGPBCF-MJGOQNOKSA-N 2 0 317.452 2.525 20 0 DFADRP C[NH+](C)Cc1cc(C[NH2+][C@@H]2CC[N@H+](C)[C@@H]3CCC[C@@H]32)ccc1F ZINC000367603081 429682178 /nfs/dbraw/zinc/68/21/78/429682178.db2.gz YDYUWZPMVCUIIX-BHIYHBOVSA-N 3 0 319.468 2.850 20 0 DFADRP COC[C@@H]([NH2+]Cc1ccccc1OCC[NH+](C)C)C1CCCC1 ZINC000525860876 429682806 /nfs/dbraw/zinc/68/28/06/429682806.db2.gz MJNPTMSVKWXGIZ-GOSISDBHSA-N 2 0 320.477 2.922 20 0 DFADRP CC[N@@H+]1CC[C@H]([NH2+]Cc2ccc(N3CCCC3=O)cc2)[C@H](C)C1 ZINC000163882600 276230309 /nfs/dbraw/zinc/23/03/09/276230309.db2.gz XIVJWKAKKXBLTP-QAPCUYQASA-N 2 0 315.461 2.633 20 0 DFADRP CCOC(=O)C1(C)CCC([NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)CC1 ZINC000353929419 276273040 /nfs/dbraw/zinc/27/30/40/276273040.db2.gz MECBSLUZHDPIBG-NDUQDZPOSA-N 2 0 308.466 2.715 20 0 DFADRP CCOC(=O)C1(C)CCC([NH2+][C@@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC000354513299 276273064 /nfs/dbraw/zinc/27/30/64/276273064.db2.gz PNYXLKREVNTQDE-GARNVTTQSA-N 2 0 310.482 2.961 20 0 DFADRP C[NH+](C)Cc1cccc(C[NH2+][C@@H]2CC[N@H+](C)[C@@H]3CCC[C@@H]32)c1 ZINC000367623256 429687349 /nfs/dbraw/zinc/68/73/49/429687349.db2.gz VJILDOXWKVEMTE-GUDVDZBRSA-N 3 0 301.478 2.711 20 0 DFADRP C[NH+]1CCN(C[C@@H]2CCC[N@H+](CCCCC(F)(F)F)C2)CC1 ZINC000367622082 429687707 /nfs/dbraw/zinc/68/77/07/429687707.db2.gz FCKDOSKJSVKAFQ-OAHLLOKOSA-N 2 0 321.431 2.678 20 0 DFADRP Cc1cc(C)n(-c2ccc(C[NH2+][C@](C)(C[NH3+])C(C)C)cc2)n1 ZINC000430554394 429689009 /nfs/dbraw/zinc/68/90/09/429689009.db2.gz MXDHBSZXQZGUAR-GOSISDBHSA-N 2 0 300.450 2.952 20 0 DFADRP CC(C)([NH3+])c1noc(C[N@@H+]2CCC[C@@H]2CCc2ccccc2)n1 ZINC000430593057 429698491 /nfs/dbraw/zinc/69/84/91/429698491.db2.gz RYFUCIOTMVKJKY-OAHLLOKOSA-N 2 0 314.433 2.861 20 0 DFADRP CC[N@H+](C)Cc1cccc(CNC(=O)[C@H]2CCCC[C@@]2(C)[NH3+])c1 ZINC000262896429 276308466 /nfs/dbraw/zinc/30/84/66/276308466.db2.gz DCQFWTRDFZZNNA-IEBWSBKVSA-N 2 0 317.477 2.662 20 0 DFADRP CC[NH+](CC)CCC[C@H](C)NC(=O)C[C@H]([NH3+])c1ccccc1 ZINC000236858276 276325923 /nfs/dbraw/zinc/32/59/23/276325923.db2.gz UGXHRFZLDGPMKE-RDJZCZTQSA-N 2 0 305.466 2.703 20 0 DFADRP CC[NH2+]CC1CC[NH+](CC(=O)Nc2cc(C)cc(C)c2)CC1 ZINC000430572230 429693418 /nfs/dbraw/zinc/69/34/18/429693418.db2.gz NSMLSPVBIKIKEH-UHFFFAOYSA-N 2 0 303.450 2.563 20 0 DFADRP CC[NH2+]CC1CC[NH+]([C@H](C)C(=O)N[C@H](C)c2ccccc2)CC1 ZINC000430587568 429696332 /nfs/dbraw/zinc/69/63/32/429696332.db2.gz WJFVGHFDNVCWFB-HZPDHXFCSA-N 2 0 317.477 2.574 20 0 DFADRP Cc1cc(C)cc(C[N@@H+](C)[C@@H]2CCN(C3CC[NH+](C)CC3)C2)c1 ZINC000367662129 429696698 /nfs/dbraw/zinc/69/66/98/429696698.db2.gz UUAQHBZODYDNHI-HXUWFJFHSA-N 2 0 315.505 2.904 20 0 DFADRP CC[NH2+]CC1CC[NH+]([C@@H](C)C(=O)N[C@@H](C)c2ccccc2)CC1 ZINC000430587567 429697265 /nfs/dbraw/zinc/69/72/65/429697265.db2.gz WJFVGHFDNVCWFB-HOTGVXAUSA-N 2 0 317.477 2.574 20 0 DFADRP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+][C@H](C)COC)CC1 ZINC000127293654 276388057 /nfs/dbraw/zinc/38/80/57/276388057.db2.gz QVAHZQYBOLSFKB-CABCVRRESA-N 2 0 323.456 2.653 20 0 DFADRP CSc1ccccc1NC(=O)CCN1CCCC[C@@H]1C[NH3+] ZINC000430633644 429702702 /nfs/dbraw/zinc/70/27/02/429702702.db2.gz AHLDXHOCNWKPPF-CYBMUJFWSA-N 2 0 307.463 2.550 20 0 DFADRP C[NH2+]C[C@@H]1CCC[N@H+](CCC(=O)Nc2ccccc2SC)C1 ZINC000430641951 429704777 /nfs/dbraw/zinc/70/47/77/429704777.db2.gz JQQYYSAAWLCWSU-AWEZNQCLSA-N 2 0 321.490 2.669 20 0 DFADRP [NH3+]CC1CC[NH+](CCc2nc(-c3ccc(Cl)cc3)no2)CC1 ZINC000430642182 429704947 /nfs/dbraw/zinc/70/49/47/429704947.db2.gz VAQBQUSMTIOLFJ-UHFFFAOYSA-N 2 0 320.824 2.603 20 0 DFADRP CC(C)c1cc(NCC[NH+](C(C)C)C(C)C)nc(N(C)C)[nH+]1 ZINC000462930729 429706487 /nfs/dbraw/zinc/70/64/87/429706487.db2.gz TZICKNQHYAFVKN-UHFFFAOYSA-N 2 0 307.486 3.197 20 0 DFADRP CC(C)[NH+]1CCC(N(C)C(=O)[C@H]2CCCCCC[C@@H]2[NH3+])CC1 ZINC000430746612 429714575 /nfs/dbraw/zinc/71/45/75/429714575.db2.gz RCIKUKCSNCLWTH-IRXDYDNUSA-N 2 0 309.498 2.615 20 0 DFADRP C[C@@H](CNC(=O)[C@@H](C)[C@H]([NH3+])c1ccccc1)[N@@H+]1CCCC[C@H]1C ZINC000430748238 429714681 /nfs/dbraw/zinc/71/46/81/429714681.db2.gz PNUOWNIULKBGAC-CVYDXHPNSA-N 2 0 317.477 2.702 20 0 DFADRP C[C@H](CC(=O)NCC1([NH+](C)C)CCCCCC1)[C@@H]1CCC[NH2+]C1 ZINC000430840590 429720057 /nfs/dbraw/zinc/72/00/57/429720057.db2.gz YEDNACYSITXFMO-IAGOWNOFSA-N 2 0 323.525 2.783 20 0 DFADRP Fc1ccc(-c2n[nH]cc2C[NH+]2CCC3(CC[NH2+]C3)CC2)cc1 ZINC000430927364 429725096 /nfs/dbraw/zinc/72/50/96/429725096.db2.gz ILRHIEQLADZTSF-UHFFFAOYSA-N 2 0 314.408 2.791 20 0 DFADRP C[NH2+]CC1CC[NH+]([C@@H](C)C(=O)Nc2ccc(C)c(C)c2)CC1 ZINC000430929455 429725390 /nfs/dbraw/zinc/72/53/90/429725390.db2.gz XBWMDASQLJQJOF-HNNXBMFYSA-N 2 0 303.450 2.562 20 0 DFADRP CN1CCC([NH+]2CCC(CC[N@H+](C)CC3CCC3)CC2)CC1 ZINC000430954867 429728632 /nfs/dbraw/zinc/72/86/32/429728632.db2.gz XTNCTTHSRZLUQS-UHFFFAOYSA-N 2 0 307.526 2.915 20 0 DFADRP [NH3+]C[C@@H]1CC[N@H+](Cc2c(-c3ccccc3)nc3ccccn32)C1 ZINC000430966613 429731486 /nfs/dbraw/zinc/73/14/86/429731486.db2.gz PBUVCQOITFHVGZ-HNNXBMFYSA-N 2 0 306.413 2.782 20 0 DFADRP COc1ccncc1C[NH+]1CCC2(C[C@@H]2C[N@H+](C)C2CC2)CC1 ZINC000367872958 429732718 /nfs/dbraw/zinc/73/27/18/429732718.db2.gz BXHFZICPMOLQMA-MRXNPFEDSA-N 2 0 315.461 2.787 20 0 DFADRP COc1ccncc1C[NH+]1CCC2(C[C@H]2C[N@H+](C)C2CC2)CC1 ZINC000367872957 429733549 /nfs/dbraw/zinc/73/35/49/429733549.db2.gz BXHFZICPMOLQMA-INIZCTEOSA-N 2 0 315.461 2.787 20 0 DFADRP CCNC(=O)C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCCN1C(C)C ZINC000450937523 429734548 /nfs/dbraw/zinc/73/45/48/429734548.db2.gz IAWASKRZZGMTSM-DLBZAZTESA-N 2 0 309.498 2.630 20 0 DFADRP C[C@@H]1[C@@H](c2ccccc2)CC[N@@H+]1Cc1nc(C(C)(C)[NH3+])no1 ZINC000431103122 429743122 /nfs/dbraw/zinc/74/31/22/429743122.db2.gz VWESXOTUTLTKON-OCCSQVGLSA-N 2 0 300.406 2.641 20 0 DFADRP COCCOc1ccc(C[N@@H+]2CCC[C@H]3C[NH+](C)CC[C@@H]32)cc1 ZINC000368135804 429795975 /nfs/dbraw/zinc/79/59/75/429795975.db2.gz RPTFQEDEMWZKTH-HKUYNNGSSA-N 2 0 318.461 2.628 20 0 DFADRP C[NH+]1CCC([C@@H]2CC[N@H+](Cc3ccc(-c4cc[nH]n4)o3)C2)CC1 ZINC000368131976 429796382 /nfs/dbraw/zinc/79/63/82/429796382.db2.gz CTBGFHATAGHTRT-OAHLLOKOSA-N 2 0 314.433 2.833 20 0 DFADRP Cc1nc2c(n1[C@@H]1CC[N@H+](C[C@H]3CCCOC3)C1)CCCC2 ZINC000432081750 429798847 /nfs/dbraw/zinc/79/88/47/429798847.db2.gz RUOOZVSBIAYYQX-HZPDHXFCSA-N 2 0 303.450 2.744 20 0 DFADRP COC(=O)C1(C[NH2+]C2CC[NH+]([C@H]3CCCC[C@@H]3C)CC2)CC1 ZINC000486924237 429753246 /nfs/dbraw/zinc/75/32/46/429753246.db2.gz JBTFTKDKEJJNNB-HOCLYGCPSA-N 2 0 308.466 2.572 20 0 DFADRP CCOc1ccc(C[NH2+]C[C@H]2CN(CC(C)C)CCO2)cc1F ZINC000486943458 429755786 /nfs/dbraw/zinc/75/57/86/429755786.db2.gz NDAIXNYNTOLCPA-INIZCTEOSA-N 2 0 324.440 2.671 20 0 DFADRP C[NH+](C)CCOc1ccc(C[NH2+]C/C=C\c2ccncc2)cc1 ZINC000486962080 429756682 /nfs/dbraw/zinc/75/66/82/429756682.db2.gz CHQKGGQHKBKDCQ-ARJAWSKDSA-N 2 0 311.429 2.825 20 0 DFADRP Cn1c2cc(F)ccc2nc1N1CCC[C@H]2C[N@H+](C)CC[C@H]21 ZINC000431407126 429758603 /nfs/dbraw/zinc/75/86/03/429758603.db2.gz XMVJPPGFHXTCRP-SWLSCSKDSA-N 2 0 302.397 2.633 20 0 DFADRP CCN(CCC[NH+](C)C)C(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC000451102162 429767606 /nfs/dbraw/zinc/76/76/06/429767606.db2.gz BJUPYBBTMDETOV-QGZVFWFLSA-N 2 0 309.498 2.584 20 0 DFADRP CCN(CCC[NH+](C)C)C(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC000451102161 429768662 /nfs/dbraw/zinc/76/86/62/429768662.db2.gz BJUPYBBTMDETOV-KRWDZBQOSA-N 2 0 309.498 2.584 20 0 DFADRP CC(C)CC[NH+]1CCC(CNC(=O)C[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC000431569277 429769338 /nfs/dbraw/zinc/76/93/38/429769338.db2.gz HCMVMIGWVXXGBL-IAGOWNOFSA-N 2 0 323.525 2.734 20 0 DFADRP CCC[C@H]([NH2+]C(C)C)C(=O)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000431785733 429782027 /nfs/dbraw/zinc/78/20/27/429782027.db2.gz QTIXZMRRPNNFSD-KRWDZBQOSA-N 2 0 309.498 2.630 20 0 DFADRP CC[C@@H](C)[N@H+](C)CCNC(=O)[C@@H]1CCCC[NH+]1C1CCCC1 ZINC000431788942 429782636 /nfs/dbraw/zinc/78/26/36/429782636.db2.gz OVLNNLVMCQZNCX-WBVHZDCISA-N 2 0 309.498 2.630 20 0 DFADRP CCC[C@@H]([NH2+]C(C)C)C(=O)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000431785734 429782787 /nfs/dbraw/zinc/78/27/87/429782787.db2.gz QTIXZMRRPNNFSD-QGZVFWFLSA-N 2 0 309.498 2.630 20 0 DFADRP C[NH+](C)[C@H]1CCCN(C(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)CC1 ZINC000451194658 429785154 /nfs/dbraw/zinc/78/51/54/429785154.db2.gz WHZLOXBSDLUAOD-FUHWJXTLSA-N 2 0 321.509 2.726 20 0 DFADRP C[N@@H+]1CCCC[C@@H]1CCC(=O)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000431841388 429785989 /nfs/dbraw/zinc/78/59/89/429785989.db2.gz BWXUDSLUGJDTHX-QZTJIDSGSA-N 2 0 321.509 2.585 20 0 DFADRP CC(C)[NH+]1CCN([C@@H]2CC[N@@H+]([C@H]3C[C@@H]3c3ccccc3)C2)CC1 ZINC000368273469 429821275 /nfs/dbraw/zinc/82/12/75/429821275.db2.gz MSSVEQSJGGAIBO-AQNXPRMDSA-N 2 0 313.489 2.643 20 0 DFADRP OC1CC(CC[NH2+][C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]23)C1 ZINC000432427591 429823304 /nfs/dbraw/zinc/82/33/04/429823304.db2.gz ZRIKDVOSAJIWDT-ZSDFWYKJSA-N 2 0 314.473 2.648 20 0 DFADRP CC(C)[C@H](Cn1cccn1)[NH2+]C[C@H]1CCN1C1CCCCC1 ZINC000527948989 429825890 /nfs/dbraw/zinc/82/58/90/429825890.db2.gz NPNDYJDNOAVZSD-MSOLQXFVSA-N 2 0 304.482 2.904 20 0 DFADRP Cn1cc([C@H]2[C@H](C[N@H+](C)CC3(C)CCC3)CCCN2C)cn1 ZINC000432795113 429841256 /nfs/dbraw/zinc/84/12/56/429841256.db2.gz DNMGEPWVXHKWGJ-DOTOQJQBSA-N 2 0 304.482 2.925 20 0 DFADRP C[NH+]1CCC2(CCC[N@H+](C[C@H](O)c3ccc(F)cc3)C2)CC1 ZINC000368393896 429841406 /nfs/dbraw/zinc/84/14/06/429841406.db2.gz RHEHFWWZMPGUTM-KRWDZBQOSA-N 2 0 306.425 2.667 20 0 DFADRP Cc1cccc2nc(C[N@H+]3CCCC4(CC[NH+](C)CC4)C3)cn21 ZINC000368533812 429863355 /nfs/dbraw/zinc/86/33/55/429863355.db2.gz HENZSFLNDYCOOV-UHFFFAOYSA-N 2 0 312.461 2.951 20 0 DFADRP Cc1cccc(CC[C@H](C)[NH2+]C[C@H]2CN3CCC[C@H]3CO2)c1 ZINC000368539239 429864119 /nfs/dbraw/zinc/86/41/19/429864119.db2.gz SBGZGTQGKVTFIZ-WDSOQIARSA-N 2 0 302.462 2.769 20 0 DFADRP C[C@H](CNC(=O)C1(C[NH+](C)C)CCCCC1)[N@@H+]1CCCC[C@H]1C ZINC000494306300 429865997 /nfs/dbraw/zinc/86/59/97/429865997.db2.gz CZDNFIKWZJAPBP-IAGOWNOFSA-N 2 0 323.525 2.878 20 0 DFADRP CC[NH+](CC)CC1CC[NH+](CCNC(=O)OC(C)(C)C)CC1 ZINC000494309650 429866087 /nfs/dbraw/zinc/86/60/87/429866087.db2.gz CKXVGUOVZAJGLE-UHFFFAOYSA-N 2 0 313.486 2.565 20 0 DFADRP C[N@H+](CCCn1ccnc1)CC(C)(C)CNC(=O)OC(C)(C)C ZINC000494508493 429877562 /nfs/dbraw/zinc/87/75/62/429877562.db2.gz XSFQSFIXQWDASI-UHFFFAOYSA-N 2 0 324.469 2.756 20 0 DFADRP CO[C@@H](Cc1ccc(F)cc1)C[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000528390345 429884114 /nfs/dbraw/zinc/88/41/14/429884114.db2.gz WXJBDKCYZAMHBH-MJGOQNOKSA-N 2 0 320.452 2.801 20 0 DFADRP CC[C@H](c1ccccc1F)[N@@H+]1CC[C@@H](N2CC[NH+](CC)CC2)C1 ZINC000368799236 429895504 /nfs/dbraw/zinc/89/55/04/429895504.db2.gz VNWCXDPZJNNSKA-VQIMIIECSA-N 2 0 319.468 2.989 20 0 DFADRP C[N@H+](CCc1ccccc1)C1CC[NH+](C2CCOCC2)CC1 ZINC000368850265 429898587 /nfs/dbraw/zinc/89/85/87/429898587.db2.gz IPRIOUNLLNTZSB-UHFFFAOYSA-N 2 0 302.462 2.804 20 0 DFADRP OC[C@@]1(Cc2ccccc2)CCC[N@@H+]1CCC[NH+]1CCCCC1 ZINC000368997565 429906118 /nfs/dbraw/zinc/90/61/18/429906118.db2.gz FTBCQLYYZLBYKE-FQEVSTJZSA-N 2 0 316.489 2.932 20 0 DFADRP OC[C@]1(Cc2ccccc2)CCC[N@@H+]1CCC[NH+]1CCCCC1 ZINC000368997566 429906251 /nfs/dbraw/zinc/90/62/51/429906251.db2.gz FTBCQLYYZLBYKE-HXUWFJFHSA-N 2 0 316.489 2.932 20 0 DFADRP CN(C(=[NH2+])NC[C@@]1(C)CC[N@H+](Cc2ccccc2)C1)C1CC1 ZINC000369054699 429909869 /nfs/dbraw/zinc/90/98/69/429909869.db2.gz MMMNXOYJNRXNMA-GOSISDBHSA-N 2 0 300.450 2.517 20 0 DFADRP CCC[NH+]1CCN(C2CC[NH+](Cc3cccc(C)c3)CC2)CC1 ZINC000369153692 429916505 /nfs/dbraw/zinc/91/65/05/429916505.db2.gz DQIPLIIEJSJEJW-UHFFFAOYSA-N 2 0 315.505 2.987 20 0 DFADRP C[C@@H]1C[C@@H]1c1ccc(C[NH2+][C@H]2CCN(C3CC[NH+](C)CC3)C2)o1 ZINC000369278307 429922351 /nfs/dbraw/zinc/92/23/51/429922351.db2.gz QFWZBEZDQSFKPM-VKJFTORMSA-N 2 0 317.477 2.661 20 0 DFADRP C[N@H+](CCN1CC[NH+](C)[C@H](C(C)(C)C)C1)Cc1ccc(F)cc1 ZINC000639745943 429966334 /nfs/dbraw/zinc/96/63/34/429966334.db2.gz VWXXHJDZSJRYSV-SFHVURJKSA-N 2 0 321.484 2.920 20 0 DFADRP CN(C)CC[NH2+][C@@H]1CCCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000558253778 429966404 /nfs/dbraw/zinc/96/64/04/429966404.db2.gz FAADWEWOGUQVMT-VAMGGRTRSA-N 2 0 315.505 2.828 20 0 DFADRP Cn1c2ccccc2nc1CC[N@@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC000639757207 429971219 /nfs/dbraw/zinc/97/12/19/429971219.db2.gz IUZHSQVNCDEZPF-UHFFFAOYSA-N 2 0 312.461 2.534 20 0 DFADRP Cc1cnn(CCCCC[N@H+]2CCC3(C2)CC[NH+](C)CC3)c1 ZINC000639758294 429972293 /nfs/dbraw/zinc/97/22/93/429972293.db2.gz SSVMTUXCPHWCNL-UHFFFAOYSA-N 2 0 304.482 2.780 20 0 DFADRP C[NH+]1CCC2(CC[N@H+](CCN3CCCc4ccccc43)C2)CC1 ZINC000639758803 429972613 /nfs/dbraw/zinc/97/26/13/429972613.db2.gz WKPWPLMVWURPRT-UHFFFAOYSA-N 2 0 313.489 2.857 20 0 DFADRP CC[C@@H]1CCCCN1C(=O)[C@H](C)[N@@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC000639761591 429972746 /nfs/dbraw/zinc/97/27/46/429972746.db2.gz GQJHAXUIIPATFJ-DLBZAZTESA-N 2 0 321.509 2.584 20 0 DFADRP C[NH+]1CCC2(CCN(Cc3noc(-c4ccsc4)n3)C2)CC1 ZINC000639759556 429972920 /nfs/dbraw/zinc/97/29/20/429972920.db2.gz BEDCBZQDIHAUHY-UHFFFAOYSA-N 2 0 318.446 2.716 20 0 DFADRP C[NH2+]CCC1CC[NH+](CCCc2ccc3c(c2)CCO3)CC1 ZINC000573723556 429976631 /nfs/dbraw/zinc/97/66/31/429976631.db2.gz UGMBNMVNBKAYHN-UHFFFAOYSA-N 2 0 302.462 2.876 20 0 DFADRP Cc1cc(C)c(C[NH2+]C2(C(=O)N(C)C)CCCCC2)c(C)n1 ZINC000639660729 429937199 /nfs/dbraw/zinc/93/71/99/429937199.db2.gz LCWYGONILJOCAJ-UHFFFAOYSA-N 2 0 303.450 2.888 20 0 DFADRP CC(C)(C)n1cc(C[N@@H+]2CCCN(c3cc[nH+]cc3)CC2)cn1 ZINC000639683697 429946599 /nfs/dbraw/zinc/94/65/99/429946599.db2.gz MDADWIJWCCAUBP-UHFFFAOYSA-N 2 0 313.449 2.745 20 0 DFADRP C[NH+](C)[C@@H]1CCN(Cc2cccc(C[NH+]3CCCCC3)c2)C1 ZINC000639806423 429986479 /nfs/dbraw/zinc/98/64/79/429986479.db2.gz ROFYYQPRDUJFHZ-LJQANCHMSA-N 2 0 301.478 2.808 20 0 DFADRP CC[NH+]1CCC(C[NH2+][C@H](C)c2cc(C(=O)OC)cs2)CC1 ZINC000557705011 429952460 /nfs/dbraw/zinc/95/24/60/429952460.db2.gz RGGHIKITAVSVKB-GFCCVEGCSA-N 2 0 310.463 2.917 20 0 DFADRP C[C@H]1CC[N@H+](Cc2ccc(-c3cc[nH]n3)o2)C[C@@H]1n1ccnc1 ZINC000369484529 429953896 /nfs/dbraw/zinc/95/38/96/429953896.db2.gz NIFPGWFLGWYPQE-BBRMVZONSA-N 2 0 311.389 2.949 20 0 DFADRP CC(C)CCNC(=O)[C@H](C)[NH+]1CCC(C[N@H+](C)C(C)C)CC1 ZINC000560336480 430031456 /nfs/dbraw/zinc/03/14/56/430031456.db2.gz HYNMICLKPSDVKO-INIZCTEOSA-N 2 0 311.514 2.589 20 0 DFADRP Cc1ccncc1CCC[N@@H+]1CCC[C@H](N2CCOCC2)CC1 ZINC000574465603 430045659 /nfs/dbraw/zinc/04/56/59/430045659.db2.gz MCZHJPGZKAIQMT-IBGZPJMESA-N 2 0 317.477 2.509 20 0 DFADRP c1cc(N2CCC([NH2+]C[C@@H]3CCN3C3CCCC3)CC2)cc[nH+]1 ZINC000529670670 430049368 /nfs/dbraw/zinc/04/93/68/430049368.db2.gz WGHGUYUIYNWXCP-IBGZPJMESA-N 2 0 314.477 2.657 20 0 DFADRP CCC1([NH+]2CCCC2)CCN([C@H](C)C(=O)N2CCCCC2)CC1 ZINC000639987613 430046898 /nfs/dbraw/zinc/04/68/98/430046898.db2.gz GRANIQLZLUTDDD-QGZVFWFLSA-N 2 0 321.509 2.728 20 0 DFADRP C[C@@H]([NH2+]C[C@H](O)C[NH+]1CCC(C)CC1)[C@@H]1C[C@H]1c1ccccc1 ZINC000558968449 429994843 /nfs/dbraw/zinc/99/48/43/429994843.db2.gz HCCBNNVMFNOLQW-GTAWCEEGSA-N 2 0 316.489 2.861 20 0 DFADRP Cc1ccc(C)c(NC(=O)[C@H](C)[NH+]2CCC(CC[NH3+])CC2)c1 ZINC000573927305 429996163 /nfs/dbraw/zinc/99/61/63/429996163.db2.gz KINFYOHCMDGTHJ-HNNXBMFYSA-N 2 0 303.450 2.691 20 0 DFADRP CC[NH+](CC)Cc1cccc(C[NH2+]C[C@H](O)CC(F)(F)F)c1 ZINC000573953733 429997455 /nfs/dbraw/zinc/99/74/55/429997455.db2.gz LYDSDAAAWQNPQY-OAHLLOKOSA-N 2 0 318.383 2.931 20 0 DFADRP CC[C@@H]1C[NH+](CCCC[N@@H+]2CCCO[C@H](CC)C2)CCCO1 ZINC000559702154 430011971 /nfs/dbraw/zinc/01/19/71/430011971.db2.gz JDAMZFMUUTYQGY-QZTJIDSGSA-N 2 0 312.498 2.768 20 0 DFADRP CC(C)N(C)c1ccc(C[NH2+][C@H]2CC[NH2+]CC(C)(C)C2)cn1 ZINC000634733878 430092629 /nfs/dbraw/zinc/09/26/29/430092629.db2.gz QECYVJTVQGKYGE-INIZCTEOSA-N 2 0 304.482 2.794 20 0 DFADRP Cc1ccc(-c2nn(C)cc2C[NH2+][C@@H]2CC[NH2+]CC(C)(C)C2)o1 ZINC000634733307 430092948 /nfs/dbraw/zinc/09/29/48/430092948.db2.gz CHBNRFUVTMLXFW-OAHLLOKOSA-N 2 0 316.449 2.856 20 0 DFADRP CC(C)n1ncc2cc(C[NH2+][C@H]3CC[NH2+]CC(C)(C)C3)cnc21 ZINC000634732821 430093020 /nfs/dbraw/zinc/09/30/20/430093020.db2.gz PRVWIDIHPRFFEX-INIZCTEOSA-N 2 0 315.465 2.880 20 0 DFADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1N[C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000634732856 430093853 /nfs/dbraw/zinc/09/38/53/430093853.db2.gz QIEKQEYSSMIARJ-QRQLOZEOSA-N 2 0 315.505 2.875 20 0 DFADRP CC1(C)C[NH2+]CC[C@@H]([NH2+]CCCc2ccc3c(c2)CCO3)C1 ZINC000634733668 430094061 /nfs/dbraw/zinc/09/40/61/430094061.db2.gz KVHAMRIHXANNJZ-QGZVFWFLSA-N 2 0 302.462 2.922 20 0 DFADRP C[C@H](CC(=O)Nc1ccc(F)cc1)[NH2+][C@H]1CC[NH2+]CC(C)(C)C1 ZINC000634734005 430094195 /nfs/dbraw/zinc/09/41/95/430094195.db2.gz UNZNLJFJRLSQHZ-CJNGLKHVSA-N 2 0 321.440 2.911 20 0 DFADRP CO[C@H](Cc1ccc(F)cc1)C[N@@H+]1C[C@H](C[NH3+])[C@@H](C)C[C@H]1C ZINC000530226142 430106454 /nfs/dbraw/zinc/10/64/54/430106454.db2.gz PXORYXYERMCMPF-JSSFPYSZSA-N 2 0 308.441 2.688 20 0 DFADRP Cc1cnc(C)nc1NC[C@@H](c1ccccc1Cl)[NH+](C)C ZINC000576511100 430107393 /nfs/dbraw/zinc/10/73/93/430107393.db2.gz RIFHULMTWFRVHG-HNNXBMFYSA-N 2 0 304.825 3.462 20 0 DFADRP COc1ccc(CC[C@H](C)[NH2+][C@H]2CC[NH2+]C23CCC3)cc1O ZINC000530243324 430107664 /nfs/dbraw/zinc/10/76/64/430107664.db2.gz HLTZNUMZOFKKOA-GUYCJALGSA-N 2 0 304.434 2.596 20 0 DFADRP CCC1([NH+](C)C)CC[NH+](C[C@@H](O)[C@H](C)c2ccccc2)CC1 ZINC000640015195 430054992 /nfs/dbraw/zinc/05/49/92/430054992.db2.gz GVHVGZJMNOIYPI-SJLPKXTDSA-N 2 0 304.478 2.957 20 0 DFADRP C[C@@H](C[NH3+])C[NH2+][C@@H](C)CC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000560942851 430072248 /nfs/dbraw/zinc/07/22/48/430072248.db2.gz VWZOBEJHUCKCBI-QWRGUYRKSA-N 2 0 317.355 2.607 20 0 DFADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+]Cc1ncc(Br)s1 ZINC000560972037 430072261 /nfs/dbraw/zinc/07/22/61/430072261.db2.gz GEUQKMZACHJURL-AYBYRNOTSA-N 2 0 316.268 2.511 20 0 DFADRP CC1(C)C[C@@H]([NH2+]CC2CC[NH+](Cc3ccncc3)CC2)CCO1 ZINC000634685580 430078080 /nfs/dbraw/zinc/07/80/80/430078080.db2.gz QSOSBTOHXQBLMZ-SFHVURJKSA-N 2 0 317.477 2.841 20 0 DFADRP c1ccc2c(c1)OC[C@H](CC[NH2+]C1CC[NH+](CC3CC3)CC1)O2 ZINC000561160928 430080265 /nfs/dbraw/zinc/08/02/65/430080265.db2.gz LCJOYAJOHUCZLP-KRWDZBQOSA-N 2 0 316.445 2.681 20 0 DFADRP C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)CC[N@H+](C)C1CCCCC1 ZINC000561228920 430083466 /nfs/dbraw/zinc/08/34/66/430083466.db2.gz FZLMMGJYJNYBMW-SJLPKXTDSA-N 2 0 321.509 2.726 20 0 DFADRP CC[N@H+](C)C[C@H](O)CN(Cc1ccc([C@@H]2C[C@H]2C)o1)C1CC1 ZINC000580841003 430157304 /nfs/dbraw/zinc/15/73/04/430157304.db2.gz GEAADRJCOAVRLL-UKPHBRMFSA-N 2 0 306.450 2.680 20 0 DFADRP [NH3+]Cc1cccc(NC(=O)[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000637800311 430133395 /nfs/dbraw/zinc/13/33/95/430133395.db2.gz DDUAUSMJUUSMBC-QGZVFWFLSA-N 2 0 309.413 2.606 20 0 DFADRP CN(Cc1nc(C(C)(C)[NH3+])no1)[C@H]1CCCc2ccccc21 ZINC000580552042 430134868 /nfs/dbraw/zinc/13/48/68/430134868.db2.gz LYBKKGIPOBTQEA-AWEZNQCLSA-N 2 0 300.406 2.773 20 0 DFADRP CC(C)[N@H+](C)CC1CC[NH+](Cc2c3c(nn2C)CCCC3)CC1 ZINC000637957888 430185763 /nfs/dbraw/zinc/18/57/63/430185763.db2.gz KVPVBGFNKDXOKU-UHFFFAOYSA-N 2 0 318.509 2.851 20 0 DFADRP CC[N@H+](C)C[C@@H](O)C[NH+]1CCC[C@]1(C)Cc1ccc(F)cc1 ZINC000581200393 430187613 /nfs/dbraw/zinc/18/76/13/430187613.db2.gz GNOZKCFEXFEFPG-QZTJIDSGSA-N 2 0 308.441 2.535 20 0 DFADRP C[C@H](O)C[NH+]1CCC(C[N@H+](C)[C@@H](C)Cc2ccsc2)CC1 ZINC000541225182 430186481 /nfs/dbraw/zinc/18/64/81/430186481.db2.gz GSRZHJMDZCCAQL-GJZGRUSLSA-N 2 0 310.507 2.704 20 0 DFADRP C[NH+](C)CCC1CC[NH+](Cc2ccnn2CC2CCC2)CC1 ZINC000637965869 430186992 /nfs/dbraw/zinc/18/69/92/430186992.db2.gz WMTZZUQTPZDNST-UHFFFAOYSA-N 2 0 304.482 2.847 20 0 DFADRP C[NH+](C)CCCN[C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000581130969 430180634 /nfs/dbraw/zinc/18/06/34/430180634.db2.gz AYUGSKUDYRMGAB-SFHVURJKSA-N 2 0 301.478 2.725 20 0 DFADRP COc1cc(NC(C)=O)ccc1[C@@H](C)[NH2+][C@H]1CC[C@H](C[NH3+])CC1 ZINC000635004690 430194390 /nfs/dbraw/zinc/19/43/90/430194390.db2.gz JZUCQJCSBNEXHX-BPLDGKMQSA-N 2 0 319.449 2.822 20 0 DFADRP C[C@@H]([NH3+])C[C@@H](C)[NH2+][C@@H]1[C@H]2Cc3cc(Br)ccc3[C@@H]12 ZINC000635005060 430194394 /nfs/dbraw/zinc/19/43/94/430194394.db2.gz LQMCFOYVHNOHIV-DPQXWDTRSA-N 2 0 309.251 2.803 20 0 DFADRP C[C@H](Nc1cc(N2CC[NH2+]CC2)cc[nH+]1)c1cc(F)cc(F)c1 ZINC000635007995 430194458 /nfs/dbraw/zinc/19/44/58/430194458.db2.gz HRDVDUUKEUOXJN-LBPRGKRZSA-N 2 0 318.371 2.943 20 0 DFADRP Cn1cc([C@H]([NH2+][C@H]2CC[C@H](C[NH3+])CC2)c2cccc(F)c2)cn1 ZINC000635006734 430194654 /nfs/dbraw/zinc/19/46/54/430194654.db2.gz NCLSIPVFBNPNEW-FSPWUOQZSA-N 2 0 316.424 2.756 20 0 DFADRP C[C@]1(C[NH2+][C@@H]2[C@@H]3Cc4c(cccc4Br)[C@@H]32)CC[NH2+]C1 ZINC000634997542 430188544 /nfs/dbraw/zinc/18/85/44/430188544.db2.gz NRMGXDHBUNFZPV-BVUBDWEXSA-N 2 0 321.262 2.676 20 0 DFADRP C[C@@H]1C[N@H+](Cc2cn(C)nc2-c2cc3ccccc3o2)C[C@@H]1C[NH3+] ZINC000634998844 430190111 /nfs/dbraw/zinc/19/01/11/430190111.db2.gz LSGJKIYXWXVAHC-HIFRSBDPSA-N 2 0 324.428 2.860 20 0 DFADRP CC[C@H]1CCCCN1C(=O)C[N@H+](C)CCCC[NH+]1CCCCC1 ZINC000640532823 430191014 /nfs/dbraw/zinc/19/10/14/430191014.db2.gz WLHGIVWPABOEFG-SFHVURJKSA-N 2 0 323.525 2.975 20 0 DFADRP C[C@H]([NH3+])C[C@H](C)[NH2+][C@@H]1[C@@H]2Cc3c(cccc3Br)[C@@H]21 ZINC000635003199 430191297 /nfs/dbraw/zinc/19/12/97/430191297.db2.gz GYYRHXNYSRPIJP-DOEPTHPASA-N 2 0 309.251 2.803 20 0 DFADRP [NH3+][C@H]1CCC[C@@H]([NH2+][C@@H]2[C@H]3Cc4cc(Br)ccc4[C@@H]23)C1 ZINC000635001438 430191675 /nfs/dbraw/zinc/19/16/75/430191675.db2.gz SGKUKISOABKMMS-FHXAZYNBSA-N 2 0 321.262 2.947 20 0 DFADRP [NH3+][C@@H]1CCC[C@@H]([NH2+][C@@H]2[C@H]3Cc4cc(Br)ccc4[C@@H]23)C1 ZINC000635001439 430192362 /nfs/dbraw/zinc/19/23/62/430192362.db2.gz SGKUKISOABKMMS-HUHANWACSA-N 2 0 321.262 2.947 20 0 DFADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+][C@H]1CCO[C@@H](c2cncn2C)C1 ZINC000581245741 430192756 /nfs/dbraw/zinc/19/27/56/430192756.db2.gz UWZLZLHNDNQWDZ-MUQADHOPSA-N 2 0 320.481 2.541 20 0 DFADRP c1ccc([C@@H]2C[C@@H]([NH2+]Cc3cccc4c3CC[NH2+]C4)CCN2)cc1 ZINC000635005866 430192908 /nfs/dbraw/zinc/19/29/08/430192908.db2.gz XAWMCHCDMNHBFY-FPOVZHCZSA-N 2 0 321.468 2.915 20 0 DFADRP C[N@H+](CCCC[NH+]1CCCCC1)C[C@@H](O)COc1ccccc1 ZINC000640530626 430192900 /nfs/dbraw/zinc/19/29/00/430192900.db2.gz ACUSXVXVQFDXDX-GOSISDBHSA-N 2 0 320.477 2.624 20 0 DFADRP [NH3+][C@H](CC[NH2+][C@@H]1CCCC12CCOCC2)Cc1ccccc1 ZINC000635004670 430192960 /nfs/dbraw/zinc/19/29/60/430192960.db2.gz FXCUKHKNUHGVLV-QZTJIDSGSA-N 2 0 302.462 2.885 20 0 DFADRP COc1ccc([C@H](N[C@H]2CC[C@H](C[NH3+])CC2)[C@H]2CCC[NH2+]2)cc1 ZINC000635004423 430193004 /nfs/dbraw/zinc/19/30/04/430193004.db2.gz IPUIHNJGAAPNDW-OPNNQBFTSA-N 2 0 317.477 2.595 20 0 DFADRP COc1cc([C@@H](C)[NH2+][C@H]2CC[C@H](C[NH3+])CC2)cc(OC)c1OC ZINC000635005563 430193227 /nfs/dbraw/zinc/19/32/27/430193227.db2.gz JJGLYTDKHVGQFV-UMVBOHGHSA-N 2 0 322.449 2.881 20 0 DFADRP COc1cc([C@H](C)[NH2+][C@H]2CC[C@H](C[NH3+])CC2)cc(OC)c1OC ZINC000635005567 430193645 /nfs/dbraw/zinc/19/36/45/430193645.db2.gz JJGLYTDKHVGQFV-YDHLFZDLSA-N 2 0 322.449 2.881 20 0 DFADRP C[N@H+](CCCC[NH+]1CCCCC1)[C@@H]1C[C@H]2CCCC[C@H]2NC1=O ZINC000640534692 430193677 /nfs/dbraw/zinc/19/36/77/430193677.db2.gz RVYDLZOKOFBISQ-KZNAEPCWSA-N 2 0 321.509 2.632 20 0 DFADRP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+][C@@H]1[C@H]2Cc3cc(Br)ccc3[C@@H]12 ZINC000635006801 430193868 /nfs/dbraw/zinc/19/38/68/430193868.db2.gz SYAHKANWQMJKGI-GPRLLCNNSA-N 2 0 321.262 2.804 20 0 DFADRP C[C@@H]([NH2+][C@@H]1CCO[C@H]1c1ccc(Cl)c(F)c1)[C@H]1CC[NH2+]C1 ZINC000635005608 430193970 /nfs/dbraw/zinc/19/39/70/430193970.db2.gz VRBLYJBDJOGLFZ-DUUOMRMWSA-N 2 0 312.816 2.897 20 0 DFADRP C[C@H]([NH2+]CCc1c2ccccc2[nH]c1C(F)(F)F)C1C[NH2+]C1 ZINC000635024311 430200435 /nfs/dbraw/zinc/20/04/35/430200435.db2.gz WHSLDHBCDXAPRV-JTQLQIEISA-N 2 0 311.351 2.927 20 0 DFADRP C[C@H](CCc1n[nH]c2ccccc21)[NH2+][C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000581357460 430201017 /nfs/dbraw/zinc/20/10/17/430201017.db2.gz VAEAIIMTKKPBBJ-ILXRZTDVSA-N 2 0 300.450 2.862 20 0 DFADRP C[C@H](Nc1cc(N2CC[NH2+]CC2)cc[nH+]1)c1ccc2c(c1)CCO2 ZINC000635011292 430195592 /nfs/dbraw/zinc/19/55/92/430195592.db2.gz YVXVXPMNCNBKSF-AWEZNQCLSA-N 2 0 324.428 2.599 20 0 DFADRP COc1ccc(NC(=O)C[C@@H](C)[NH2+][C@H]2CC[C@H](C[NH3+])CC2)cc1 ZINC000635009208 430195698 /nfs/dbraw/zinc/19/56/98/430195698.db2.gz XGCHJFLXCQDIFM-RBSFLKMASA-N 2 0 319.449 2.519 20 0 DFADRP C[C@@H](CC(=O)Nc1ccccc1)[NH2+][C@H]1CC[NH2+]CC(C)(C)C1 ZINC000635012510 430195948 /nfs/dbraw/zinc/19/59/48/430195948.db2.gz UKCVKTBAFSVHMW-HOCLYGCPSA-N 2 0 303.450 2.772 20 0 DFADRP [NH3+][C@H](CC[NH2+]C1CCN(c2ccccn2)CC1)Cc1ccccc1 ZINC000635009939 430196039 /nfs/dbraw/zinc/19/60/39/430196039.db2.gz XPSDIQVVOHHNGF-GOSISDBHSA-N 2 0 324.472 2.600 20 0 DFADRP C[C@@H](CCC(F)(F)F)Nc1cc(N2CC[NH2+]CC2)cc[nH+]1 ZINC000635008877 430196269 /nfs/dbraw/zinc/19/62/69/430196269.db2.gz LDHAGFNMDBGIAK-NSHDSACASA-N 2 0 302.344 2.634 20 0 DFADRP C[C@H](CCc1ccc2c(c1)OCO2)[NH2+][C@H]1CC[C@H](C[NH3+])CC1 ZINC000635009698 430196321 /nfs/dbraw/zinc/19/63/21/430196321.db2.gz ZABAJNNIIKECAP-FVQBIDKESA-N 2 0 304.434 2.844 20 0 DFADRP Cc1ccc(CN2CC[C@H]([NH2+][C@@H]3CC[C@@H]4C[NH2+]C[C@H]4C3)C2)cc1 ZINC000635014168 430197343 /nfs/dbraw/zinc/19/73/43/430197343.db2.gz YOBSOUJBVWYDBU-WTGUMLROSA-N 2 0 313.489 2.547 20 0 DFADRP OC[C@H](C[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1)c1ccc(Cl)cc1 ZINC000635013103 430197558 /nfs/dbraw/zinc/19/75/58/430197558.db2.gz BYNROGBEUITKHM-LEUOFYLZSA-N 2 0 322.880 2.926 20 0 DFADRP C[C@H]([NH2+]C[C@@H]1CCO[C@H]1c1ccc(F)cc1)[C@@H]1CCC[NH2+]C1 ZINC000635013778 430198866 /nfs/dbraw/zinc/19/88/66/430198866.db2.gz VRRNARPRVMLPGG-DNMXQMFDSA-N 2 0 306.425 2.881 20 0 DFADRP C[C@H](Cc1ccsc1)[N@@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000542167426 430203884 /nfs/dbraw/zinc/20/38/84/430203884.db2.gz ONECYMUCPGKFFO-JFIYKMOQSA-N 2 0 321.534 2.637 20 0 DFADRP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+][C@H]1C[C@@H](OC(C)C)C1 ZINC000565349322 430207794 /nfs/dbraw/zinc/20/77/94/430207794.db2.gz HOZNNMBCTDNVSM-WOVMCDHWSA-N 2 0 300.406 2.621 20 0 DFADRP CC(C)CC[C@H]([NH3+])C(=O)NC[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000638050157 430219703 /nfs/dbraw/zinc/21/97/03/430219703.db2.gz LOHHUSRBGORWMZ-ZWKOTPCHSA-N 2 0 317.477 2.703 20 0 DFADRP CC(C)CN(CC(C)C)C(=O)C[NH+]1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000261818116 277376575 /nfs/dbraw/zinc/37/65/75/277376575.db2.gz WLOYPIYDDSSJON-SFHVURJKSA-N 2 0 323.525 2.591 20 0 DFADRP Cn1cc(-c2ccc(C[NH2+][C@@H]3CCCC[C@H]3C[NH3+])s2)cn1 ZINC000581595443 430223501 /nfs/dbraw/zinc/22/35/01/430223501.db2.gz AZUYDKQQLJHSJO-SWLSCSKDSA-N 2 0 304.463 2.756 20 0 DFADRP CC[NH2+][C@@H](C)C(=O)Nc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000638064376 430224090 /nfs/dbraw/zinc/22/40/90/430224090.db2.gz SUKINPZQDORATK-CABCVRRESA-N 2 0 303.450 2.855 20 0 DFADRP C[N@H+](CC(=O)NC[C@H](c1ccco1)[NH+]1CCCC1)CC(C)(C)C ZINC000635111968 430212476 /nfs/dbraw/zinc/21/24/76/430212476.db2.gz QQPSKNMELRAJIO-OAHLLOKOSA-N 2 0 321.465 2.511 20 0 DFADRP O=C(CC[NH2+]C1CC([NH+]2CCCCC2)C1)Nc1cccc(F)c1 ZINC000581544331 430217329 /nfs/dbraw/zinc/21/73/29/430217329.db2.gz YSRGUWRLTLKUGC-UHFFFAOYSA-N 2 0 319.424 2.761 20 0 DFADRP CC[NH+]1CCC(C[NH2+][C@H](C)c2ccc(C(=O)N(C)C)cc2)CC1 ZINC000581860473 430242748 /nfs/dbraw/zinc/24/27/48/430242748.db2.gz QCHSEQWTCUXKPG-OAHLLOKOSA-N 2 0 317.477 2.771 20 0 DFADRP Fc1ccc(CC[NH2+]Cc2cc(C3CC[NH2+]CC3)no2)c(F)c1 ZINC000566146460 430244988 /nfs/dbraw/zinc/24/49/88/430244988.db2.gz YCYJWZPTSRYCTC-UHFFFAOYSA-N 2 0 321.371 2.752 20 0 DFADRP CC[NH+](CC)[C@H](CNC(=O)C1(C[NH+](C)C)CC1)c1ccsc1 ZINC000635280525 430244985 /nfs/dbraw/zinc/24/49/85/430244985.db2.gz VIBPYEZBJFQSSD-OAHLLOKOSA-N 2 0 323.506 2.589 20 0 DFADRP CC[N@H+](C)C[C@@H]1CC[NH+](C[C@H]2CCN(c3ccccc3)C2)C1 ZINC000638133949 430247708 /nfs/dbraw/zinc/24/77/08/430247708.db2.gz LTDZBZNCGSHYJO-ZWKOTPCHSA-N 2 0 301.478 2.787 20 0 DFADRP c1cc(N2CCCC2)ncc1CN1CCCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000566225662 430250241 /nfs/dbraw/zinc/25/02/41/430250241.db2.gz BYDHNTYVJANCEK-ROUUACIJSA-N 2 0 314.477 2.788 20 0 DFADRP CCCCCC(=O)NC1CC[NH+](CCCc2cncn2C)CC1 ZINC000582011026 430260058 /nfs/dbraw/zinc/26/00/58/430260058.db2.gz NJCMNRYVPOWCSZ-UHFFFAOYSA-N 2 0 320.481 2.514 20 0 DFADRP CC[NH+]1CCN(c2cccc(N[C@H]3CCC[C@@H]([NH3+])C3)c2)CC1 ZINC000566481240 430265669 /nfs/dbraw/zinc/26/56/69/430265669.db2.gz GJLOJPJSHUTHRF-CVEARBPZSA-N 2 0 302.466 2.510 20 0 DFADRP [NH3+]CCC1CC[NH+](Cc2c[nH]nc2-c2c(F)cccc2F)CC1 ZINC000582065815 430265848 /nfs/dbraw/zinc/26/58/48/430265848.db2.gz GALJBXQOOVFDMA-UHFFFAOYSA-N 2 0 320.387 2.916 20 0 DFADRP CC[NH+](CC)[C@@H](C(=O)N[C@@H](C[NH3+])CC(C)C)c1ccccc1 ZINC000582065471 430266027 /nfs/dbraw/zinc/26/60/27/430266027.db2.gz OVXYVRRJGMQAPW-IAGOWNOFSA-N 2 0 305.466 2.559 20 0 DFADRP C[N@@H+]1CC[C@@H](CC(=O)Nc2ccc(CC[NH+]3CCCC3)cc2)C1 ZINC000635415225 430275124 /nfs/dbraw/zinc/27/51/24/430275124.db2.gz ATTUJYKNQMQAED-KRWDZBQOSA-N 2 0 315.461 2.605 20 0 DFADRP CC[NH+](CC)CC1CCN(C(=O)[C@@H]2CC[N@@H+]2C2CCCC2)CC1 ZINC000635448748 430280585 /nfs/dbraw/zinc/28/05/85/430280585.db2.gz WYRKHPJWZXNAEG-SFHVURJKSA-N 2 0 321.509 2.584 20 0 DFADRP CC(C)CC[C@@H]([NH3+])C(=O)N1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000638086964 430231549 /nfs/dbraw/zinc/23/15/49/430231549.db2.gz YASNSIYSGGKGFA-ZWKOTPCHSA-N 2 0 323.525 2.720 20 0 DFADRP CC[NH+](CC)Cc1cccc(NC(=O)C[C@@H]2CC[N@H+](C)C2)c1 ZINC000635253097 430239728 /nfs/dbraw/zinc/23/97/28/430239728.db2.gz FUCVZSZNWTYVLI-INIZCTEOSA-N 2 0 303.450 2.809 20 0 DFADRP O=C(NCCCCC[NH+]1CCCCC1)C12CCC[NH+](CCC1)C2 ZINC000635548738 430303728 /nfs/dbraw/zinc/30/37/28/430303728.db2.gz WFENULQIWSTRSV-UHFFFAOYSA-N 2 0 321.509 2.635 20 0 DFADRP CC1CC[NH+](Cc2ccc(NC(=O)[C@]3(C)CCC[NH2+]3)cc2)CC1 ZINC000582492211 430304503 /nfs/dbraw/zinc/30/45/03/430304503.db2.gz QYWVWHUOVVGFJL-IBGZPJMESA-N 2 0 315.461 2.999 20 0 DFADRP COC(=O)c1cc2cc(C[NH+]3CCC(CC[NH3+])CC3)ccc2o1 ZINC000568057055 430311363 /nfs/dbraw/zinc/31/13/63/430311363.db2.gz NBKGKZGCMFUPFU-UHFFFAOYSA-N 2 0 316.401 2.780 20 0 DFADRP [NH3+][C@H]1CCC[C@H]([NH2+]CCOc2cccc(Br)c2)C1 ZINC000568107716 430318153 /nfs/dbraw/zinc/31/81/53/430318153.db2.gz WITLKWXOMNZXTP-STQMWFEESA-N 2 0 313.239 2.687 20 0 DFADRP CO[C@@H](C[NH2+]CCCC[N@@H+]1CCCC[C@@H]1C)C1CCOCC1 ZINC000638365574 430319046 /nfs/dbraw/zinc/31/90/46/430319046.db2.gz GBBDADOZVYTKBS-WMZOPIPTSA-N 2 0 312.498 2.672 20 0 DFADRP CC[N@H+](C)C[C@H](O)CN[C@H](c1ccc(Cl)cc1)[C@@H]1C[C@H]1C ZINC000568166122 430323234 /nfs/dbraw/zinc/32/32/34/430323234.db2.gz DDGJUCIGXYJHTR-BASLNEPJSA-N 2 0 310.869 2.939 20 0 DFADRP CO[C@](C)(C[NH2+]Cc1cccc(OCC[NH+](C)C)c1)C1CC1 ZINC000638381085 430323876 /nfs/dbraw/zinc/32/38/76/430323876.db2.gz GNPSUYBDTMERPC-GOSISDBHSA-N 2 0 306.450 2.532 20 0 DFADRP C[C@H]1CCCC[N@@H+]1CCC1CCN(C(=O)C2=CC[C@@H]([NH3+])C2)CC1 ZINC000638378956 430324327 /nfs/dbraw/zinc/32/43/27/430324327.db2.gz UJFWXXRYEBYMJU-MAUKXSAKSA-N 2 0 319.493 2.537 20 0 DFADRP Cc1cc(C)cc(OCC[NH2+]C2CC[NH+](CC(C)(C)O)CC2)c1 ZINC000638412287 430333224 /nfs/dbraw/zinc/33/32/24/430333224.db2.gz IRIDAJPDDWSTGU-UHFFFAOYSA-N 2 0 320.477 2.507 20 0 DFADRP [NH3+][C@@H](CCC(=O)N1CCC[C@@H]1C[NH+]1CCCC1)c1ccccc1 ZINC000582788791 430334287 /nfs/dbraw/zinc/33/42/87/430334287.db2.gz NUZPLGODKVZZNB-MSOLQXFVSA-N 2 0 315.461 2.553 20 0 DFADRP CC(C)(O)C[NH+]1CCC([NH2+][C@H]2CCc3cc(F)ccc32)CC1 ZINC000638426009 430338940 /nfs/dbraw/zinc/33/89/40/430338940.db2.gz QLKVUCSLQQZGBD-KRWDZBQOSA-N 2 0 306.425 2.638 20 0 DFADRP CO[C@H](C[NH2+]Cc1cccc(C[N@H+](C)C(C)C)c1)[C@H]1CCOC1 ZINC000638434119 430340756 /nfs/dbraw/zinc/34/07/56/430340756.db2.gz HSYFANSKPFAYOF-RBUKOAKNSA-N 2 0 320.477 2.668 20 0 DFADRP CCCC[NH+]1CCC([NH2+][C@H](C)Cc2ccnc(OC)c2)CC1 ZINC000638430008 430341288 /nfs/dbraw/zinc/34/12/88/430341288.db2.gz NWCFSJIPBGUWAZ-OAHLLOKOSA-N 2 0 305.466 2.875 20 0 DFADRP COc1cc(C)ccc1[C@@H](C)[NH2+][C@H](C)CCN1CC[NH+](C)CC1 ZINC000546017029 430342466 /nfs/dbraw/zinc/34/24/66/430342466.db2.gz DGHPEHCYTXTBCM-IAGOWNOFSA-N 2 0 319.493 2.680 20 0 DFADRP CC(C)(O)C[NH+]1CCC([NH2+]Cc2cc3c(s2)CCCC3)CC1 ZINC000638436882 430343152 /nfs/dbraw/zinc/34/31/52/430343152.db2.gz HHTZTFZXTGUPBQ-UHFFFAOYSA-N 2 0 322.518 2.952 20 0 DFADRP C[C@@H](C[C@H]1CCCC(=O)N1)[NH2+]C1CC[NH+](CC2CCCC2)CC1 ZINC000638454716 430348306 /nfs/dbraw/zinc/34/83/06/430348306.db2.gz NIYKXZBXTYSOMG-MAUKXSAKSA-N 2 0 321.509 2.678 20 0 DFADRP C[N@H+](CCC(=O)N1CCC[C@@H]1C[NH+]1CCCC1)C1CCCCC1 ZINC000547732631 430416856 /nfs/dbraw/zinc/41/68/56/430416856.db2.gz LQXXAGGMNTYDDX-GOSISDBHSA-N 2 0 321.509 2.728 20 0 DFADRP CC(C)(O)C[NH+]1CCC([NH2+]CC(C)(C)c2ccccc2F)CC1 ZINC000638493754 430358930 /nfs/dbraw/zinc/35/89/30/430358930.db2.gz ZJOQBWKEGSXVJR-UHFFFAOYSA-N 2 0 322.468 2.928 20 0 DFADRP COC(=O)CCC[N@H+](C)C[C@@H]1CC[NH+](Cc2ccc(C)s2)C1 ZINC000583051389 430359808 /nfs/dbraw/zinc/35/98/08/430359808.db2.gz MGXNIDCKFNZNHC-HNNXBMFYSA-N 2 0 324.490 2.763 20 0 DFADRP CC(C)C[C@H]1CCC[C@@H]([NH2+]Cc2nnc(C3CC[NH2+]CC3)[nH]2)C1 ZINC000568501077 430363428 /nfs/dbraw/zinc/36/34/28/430363428.db2.gz CSYXRJPWZHESKX-GDBMZVCRSA-N 2 0 319.497 2.966 20 0 DFADRP COCC1(C[NH2+]C[C@H]2CC[N@H+](CCc3ccccc3)C2)CCC1 ZINC000638521833 430366665 /nfs/dbraw/zinc/36/66/65/430366665.db2.gz QGLFIGOTGXAWMU-LJQANCHMSA-N 2 0 316.489 2.957 20 0 DFADRP C[NH+](C)CCCC1CCN(C(=O)[C@@H]2CC[N@@H+]2C2CCCC2)CC1 ZINC000635752703 430367455 /nfs/dbraw/zinc/36/74/55/430367455.db2.gz MDPKHDIDEYSZRX-SFHVURJKSA-N 2 0 321.509 2.584 20 0 DFADRP C[C@H]([NH2+]CCc1ccc(OCC[NH+](C)C)cc1)[C@H]1CC1(F)F ZINC000638540063 430371458 /nfs/dbraw/zinc/37/14/58/430371458.db2.gz YEVWJDLKPKSJTC-XJKSGUPXSA-N 2 0 312.404 2.803 20 0 DFADRP Cc1cccc(NC(=O)C[C@@H](C)[NH2+]CCC[NH2+]C(C)C)c1C ZINC000583198054 430373863 /nfs/dbraw/zinc/37/38/63/430373863.db2.gz FFCMRHVSKIBTQD-OAHLLOKOSA-N 2 0 305.466 2.998 20 0 DFADRP CC[N@H+](C)Cc1cccc(C[NH2+][C@@H](C)C[C@@H]2CCCC(=O)N2)c1 ZINC000638564280 430376989 /nfs/dbraw/zinc/37/69/89/430376989.db2.gz XQFNNUPIYKZREV-YJBOKZPZSA-N 2 0 317.477 2.675 20 0 DFADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+][C@H]1CCO[C@@H](c2ccnn2C)C1 ZINC000583257118 430377091 /nfs/dbraw/zinc/37/70/91/430377091.db2.gz HBNDEKZUQUTRNM-MUQADHOPSA-N 2 0 320.481 2.541 20 0 DFADRP CC[C@@H]1CCCN(C(C)(C)C[NH2+][C@@H](C)C[C@H]2CCCC(=O)N2)C1 ZINC000638593847 430382815 /nfs/dbraw/zinc/38/28/15/430382815.db2.gz AINUCUAWSICGNX-GVDBMIGSSA-N 2 0 323.525 2.924 20 0 DFADRP [NH3+]C[C@H]1CC[C@H](C[NH2+]Cc2c[nH]nc2-c2ccsc2)CC1 ZINC000568734109 430385719 /nfs/dbraw/zinc/38/57/19/430385719.db2.gz XERQHKDBSGNVIE-JOCQHMNTSA-N 2 0 304.463 2.993 20 0 DFADRP C[C@@H]1C[C@@H]([NH2+]CCC(=O)Nc2cccc(Cl)c2)CC[N@@H+]1C ZINC000568740309 430386578 /nfs/dbraw/zinc/38/65/78/430386578.db2.gz FEMUPDZMUJCOCP-OCCSQVGLSA-N 2 0 309.841 2.741 20 0 DFADRP Cc1nn(-c2ccc(F)cc2F)c(C)c1C[NH2+][C@H](C)C[C@@H](C)[NH3+] ZINC000583381180 430389864 /nfs/dbraw/zinc/38/98/64/430389864.db2.gz ANKPLLZKARFJAK-GHMZBOCLSA-N 2 0 322.403 2.983 20 0 DFADRP Cn1cc(-c2ccc(C[NH2+]C[C@H]3CCC[C@H]([NH3+])C3)s2)cn1 ZINC000568853364 430398335 /nfs/dbraw/zinc/39/83/35/430398335.db2.gz JVRDEUDVGDMJKN-JSGCOSHPSA-N 2 0 304.463 2.756 20 0 DFADRP CC[N@H+](Cc1ccc(C(=O)N[C@H]2CC[C@@H](C)[NH2+]C2)cc1)C(C)C ZINC000638644966 430398358 /nfs/dbraw/zinc/39/83/58/430398358.db2.gz TXQYJSHABOIAJQ-QAPCUYQASA-N 2 0 317.477 2.787 20 0 DFADRP C[NH+](C)C[C@H](NC(=O)[C@@H]1CCCC[N@@H+]1C)c1ccc(Cl)cc1 ZINC000635906360 430409145 /nfs/dbraw/zinc/40/91/45/430409145.db2.gz HQTXNPOTRSLMAZ-HOTGVXAUSA-N 2 0 323.868 2.543 20 0 DFADRP CC(C)C[NH+]1CCC(NC(=O)CC[N@H+](C)C2CCCCC2)CC1 ZINC000548061256 430442934 /nfs/dbraw/zinc/44/29/34/430442934.db2.gz VWFPXEIDVKRSOM-UHFFFAOYSA-N 2 0 323.525 2.878 20 0 DFADRP C[C@H]1C[N@@H+]2CCCC[C@@H]2CN1C(=O)CC[NH+](C)C1CCCCC1 ZINC000548061406 430443480 /nfs/dbraw/zinc/44/34/80/430443480.db2.gz ULSQHDZGZPZPFW-FUHWJXTLSA-N 2 0 321.509 2.726 20 0 DFADRP CC[NH+](CC)[C@H]1CCN(C(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC000548064501 430444335 /nfs/dbraw/zinc/44/43/35/430444335.db2.gz QIEROPQRSDJSQY-KRWDZBQOSA-N 2 0 309.498 2.584 20 0 DFADRP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)CC[NH+](C)C1CCCCC1 ZINC000548060483 430444531 /nfs/dbraw/zinc/44/45/31/430444531.db2.gz AWSSODBNXBGMPH-SJORKVTESA-N 2 0 323.525 2.878 20 0 DFADRP C[C@@H](CN[C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1)[NH+](C)C ZINC000569339357 430444540 /nfs/dbraw/zinc/44/45/40/430444540.db2.gz DRUPVQYAXBTZEE-FUHWJXTLSA-N 2 0 301.478 2.723 20 0 DFADRP c1c(C[NH2+]CC2CCN(c3cc[nH+]cc3)CC2)onc1C1CC1 ZINC000638836065 430450484 /nfs/dbraw/zinc/45/04/84/430450484.db2.gz BZJUJUHUNVVBAR-UHFFFAOYSA-N 2 0 312.417 2.953 20 0 DFADRP CC(C)[N@@H+]1CCC[C@@H](C[NH2+]C[C@H](O)Cc2cccc(Cl)c2)C1 ZINC000584048122 430453472 /nfs/dbraw/zinc/45/34/72/430453472.db2.gz DLHTXCJNUFFTTL-FUHWJXTLSA-N 2 0 324.896 2.953 20 0 DFADRP [NH3+]CCCCC(=O)N[C@H]1CCCCC[N@H+](Cc2ccccc2)C1 ZINC000638851475 430454650 /nfs/dbraw/zinc/45/46/50/430454650.db2.gz LUOQEDZTDHJJGR-SFHVURJKSA-N 2 0 317.477 2.676 20 0 DFADRP COc1cncc(/C=C\CC[N@H+](C)CCC[NH+]2CCCC2)c1 ZINC000584050454 430454916 /nfs/dbraw/zinc/45/49/16/430454916.db2.gz VDYFEYHABYDVDQ-BAQGIRSFSA-N 2 0 303.450 2.911 20 0 DFADRP CC(C)[N@H+](C)Cc1ccccc1C[NH2+]CCCc1cnn(C)c1 ZINC000638854591 430456304 /nfs/dbraw/zinc/45/63/04/430456304.db2.gz RIIKSWNGGAELAX-UHFFFAOYSA-N 2 0 314.477 2.983 20 0 DFADRP CO[C@@H](C[NH2+]Cc1ccccc1C[N@H+](C)C(C)C)[C@@H]1CCOC1 ZINC000638853399 430456785 /nfs/dbraw/zinc/45/67/85/430456785.db2.gz FJAHMPPFQWEFON-MOPGFXCFSA-N 2 0 320.477 2.668 20 0 DFADRP Cc1cccc(NC(=O)C[C@@H](C)[NH2+][C@@H]2C[C@H]2C2CC[NH2+]CC2)c1 ZINC000569474094 430457232 /nfs/dbraw/zinc/45/72/32/430457232.db2.gz SYUKSEPQTJHHRE-FHLIZLRMSA-N 2 0 315.461 2.690 20 0 DFADRP CCC1([NH+]2CCCC2)CCN(C(=O)[C@@H]([NH3+])c2ccccc2)CC1 ZINC000638862214 430458713 /nfs/dbraw/zinc/45/87/13/430458713.db2.gz OCGDBBJYKXVONF-KRWDZBQOSA-N 2 0 315.461 2.553 20 0 DFADRP CC1([NH+]2CCCC2)CCN(C(=O)[C@@H]([NH3+])CC2CCCCC2)CC1 ZINC000638861270 430458812 /nfs/dbraw/zinc/45/88/12/430458812.db2.gz RVGBBGUDHUEYNY-KRWDZBQOSA-N 2 0 321.509 2.761 20 0 DFADRP [NH3+]CCC[C@H]([NH2+]C1CC[NH+](CC2CC2)CC1)c1ccccc1 ZINC000584100775 430459086 /nfs/dbraw/zinc/45/90/86/430459086.db2.gz DETBFTBXPWBQEF-IBGZPJMESA-N 3 0 301.478 2.931 20 0 DFADRP CCC1([NH+]2CCCC2)CCN(C(=O)C[C@H]2CCC[NH2+]CC2)CC1 ZINC000638862259 430459981 /nfs/dbraw/zinc/45/99/81/430459981.db2.gz QGOXJGYFVQQKTG-KRWDZBQOSA-N 2 0 321.509 2.633 20 0 DFADRP CC[C@H]([NH2+][C@H](CN1CC[NH+](C)CC1)c1ccccc1)C(C)C ZINC000569541966 430463290 /nfs/dbraw/zinc/46/32/90/430463290.db2.gz SFOLTAMAMXKYKS-RBUKOAKNSA-N 2 0 303.494 2.999 20 0 DFADRP CC[N@H+](Cc1ccc(C(=O)N2C[C@H](C)[C@H](C[NH3+])C2)cc1)C(C)C ZINC000638894156 430469320 /nfs/dbraw/zinc/46/93/20/430469320.db2.gz PNYBJDMQBLWCFR-MAUKXSAKSA-N 2 0 317.477 2.584 20 0 DFADRP C[C@@H](C[NH2+][C@H](c1ccccc1)C1CCC1)N1CC[NH+](C)CC1 ZINC000641776257 430471325 /nfs/dbraw/zinc/47/13/25/430471325.db2.gz VXRFBFYHSQPGJK-QFBILLFUSA-N 2 0 301.478 2.753 20 0 DFADRP CC1(C)[C@@H]([NH3+])C[C@@H]1[NH2+]CCOc1cccc(Br)c1 ZINC000641802599 430475637 /nfs/dbraw/zinc/47/56/37/430475637.db2.gz NIBPLJBVNIVZNE-STQMWFEESA-N 2 0 313.239 2.543 20 0 DFADRP C[C@H]1COCCN1C1CC[NH+](CCCc2cccc(F)c2)CC1 ZINC000569775203 430483993 /nfs/dbraw/zinc/48/39/93/430483993.db2.gz CXGNRNQSWMOITI-INIZCTEOSA-N 2 0 320.452 2.943 20 0 DFADRP c1cc2c(ncnc2NC[C@H]2CCC[N@H+](Cc3ccccc3)C2)[nH]1 ZINC000588896639 430485174 /nfs/dbraw/zinc/48/51/74/430485174.db2.gz RVZURWIZCZKIGM-MRXNPFEDSA-N 2 0 321.428 3.282 20 0 DFADRP COc1cc(C[C@H](C)[NH2+]CC[C@@H](C)[NH+]2CCCCC2)ccn1 ZINC000639036907 430498107 /nfs/dbraw/zinc/49/81/07/430498107.db2.gz DLEJZJQCRLBCRJ-JKSUJKDBSA-N 2 0 305.466 2.875 20 0 DFADRP C[NH+](C)[C@@H]1CCC[C@@H]([NH2+]CCC(=O)Nc2cccc(F)c2)C1 ZINC000569921082 430498425 /nfs/dbraw/zinc/49/84/25/430498425.db2.gz OEPLZPZWEVNIAM-GDBMZVCRSA-N 2 0 307.413 2.617 20 0 DFADRP CCO[C@@H]1C[C@H]([NH2+]CC[C@@H](C)[NH+]2CCCCC2)[C@]12CCCO2 ZINC000639037234 430499397 /nfs/dbraw/zinc/49/93/97/430499397.db2.gz HAZVEIFVRFFSRX-XMTFNYHQSA-N 2 0 310.482 2.567 20 0 DFADRP CO[C@@H](C[NH2+]C(C)(C)CC[NH+]1CCCCCC1)[C@@H]1CCOC1 ZINC000639067453 430510656 /nfs/dbraw/zinc/51/06/56/430510656.db2.gz XRNVTXACBAVMSZ-SJORKVTESA-N 2 0 312.498 2.672 20 0 DFADRP CC[NH+](CC)CCO[C@@H]1CC[N@H+](C[C@@H]2CCC3(CCCC3)O2)C1 ZINC000548918371 430510828 /nfs/dbraw/zinc/51/08/28/430510828.db2.gz PRKPXAROWRTJRG-MSOLQXFVSA-N 2 0 324.509 2.911 20 0 DFADRP CC[NH+](CC)Cc1ccc(C(=O)N[C@@H](C)C[NH+]2CCCCC2)o1 ZINC000642351914 430513362 /nfs/dbraw/zinc/51/33/62/430513362.db2.gz BNKDXLLZLMYUFZ-HNNXBMFYSA-N 2 0 321.465 2.726 20 0 DFADRP C[NH+]1CCN(C[C@@H]([NH2+][C@H]2CCC[C@H]3C[C@H]32)c2ccccc2)CC1 ZINC000549033853 430516024 /nfs/dbraw/zinc/51/60/24/430516024.db2.gz BMCVYSNGYPTYGC-ZGXWSNOMSA-N 2 0 313.489 2.753 20 0 DFADRP CC(C)C[C@@H](CNC(=O)[C@@H]([NH3+])C(C)C)[NH2+][C@H](C)c1ccccc1 ZINC000570160026 430518074 /nfs/dbraw/zinc/51/80/74/430518074.db2.gz UOEPXNHVGOJHRU-NJAFHUGGSA-N 2 0 319.493 2.851 20 0 DFADRP CC(C)[C@@H]1CCC[C@@H]([NH2+][C@H]2CCN(C3CC[NH+](C)CC3)C2)C1 ZINC000373392966 277786948 /nfs/dbraw/zinc/78/69/48/277786948.db2.gz KNAWYTMPEMHQNM-KURKYZTESA-N 2 0 307.526 2.959 20 0 DFADRP COc1cc(C[C@@H](C)[NH2+]CC(C)(C)C[NH+]2CCCC2)ccn1 ZINC000639102345 430524181 /nfs/dbraw/zinc/52/41/81/430524181.db2.gz KCNKNUZMFSEGPE-OAHLLOKOSA-N 2 0 305.466 2.733 20 0 DFADRP CCO[C@@H](C[NH2+]C1CC[NH+](CC(C)(C)O)CC1)c1ccccc1 ZINC000639109080 430528877 /nfs/dbraw/zinc/52/88/77/430528877.db2.gz PMYDGWHXFCNSER-SFHVURJKSA-N 2 0 320.477 2.589 20 0 DFADRP CC(C)[N@@H+]1CC[C@@H](CNCc2cnc([C@H]3CCCO3)s2)C1 ZINC000549867867 430534335 /nfs/dbraw/zinc/53/43/35/430534335.db2.gz YRQUQFJDMLIOFF-DZGCQCFKSA-N 2 0 309.479 2.815 20 0 DFADRP c1ccc2c(c1)C[C@@H]([NH2+]C1CC[NH+](C3CCCC3)CC1)CO2 ZINC000551063676 430549503 /nfs/dbraw/zinc/54/95/03/430549503.db2.gz YHTSBZFBODLZAJ-QGZVFWFLSA-N 2 0 300.446 2.987 20 0 DFADRP C[C@@H](C[NH+](C)C)N[C@H]1CC[N@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000639168828 430551626 /nfs/dbraw/zinc/55/16/26/430551626.db2.gz VLJJYXQOZDTTSI-VDZJLULYSA-N 2 0 301.478 2.894 20 0 DFADRP Cc1ncc([C@@H](C)[N@@H+]2CC[C@H](C3CC[NH+](C)CC3)C2)c(C)n1 ZINC000639177352 430556024 /nfs/dbraw/zinc/55/60/24/430556024.db2.gz SHGPUKJZZBTCEM-PBHICJAKSA-N 2 0 302.466 2.818 20 0 DFADRP C[N@@H+]1CCCC[C@@H]1CC[NH+]1CCC(Nc2ccccn2)CC1 ZINC000551526134 430556103 /nfs/dbraw/zinc/55/61/03/430556103.db2.gz DGASFYQZFKZJBT-QGZVFWFLSA-N 2 0 302.466 2.832 20 0 DFADRP CO[C@@H](Cc1ccccc1)C[N@@H+]1CC[C@H](C2CC[NH+](C)CC2)C1 ZINC000639177658 430557734 /nfs/dbraw/zinc/55/77/34/430557734.db2.gz WTNBWQMHHDFPMV-PMACEKPBSA-N 2 0 316.489 2.908 20 0 DFADRP CO[C@H](Cc1ccccc1)C[N@@H+]1CCC[C@@H]2C[NH+](C)CC[C@H]21 ZINC000639180270 430558526 /nfs/dbraw/zinc/55/85/26/430558526.db2.gz WDOONZKUVDOURU-GUDVDZBRSA-N 2 0 302.462 2.660 20 0 DFADRP COc1ncc([C@@H](C)[NH2+][C@H]2CCn3ccnc3C2)cc1Cl ZINC000570651580 430562937 /nfs/dbraw/zinc/56/29/37/430562937.db2.gz VHXOKMCUKAUVBA-PWSUYJOCSA-N 2 0 306.797 2.606 20 0 DFADRP Cc1ccc(C[NH+]2CC[C@H](C[N@H+](C)CCn3ccnc3)C2)s1 ZINC000570686594 430568641 /nfs/dbraw/zinc/56/86/41/430568641.db2.gz FTOJDPMUXRKSFA-MRXNPFEDSA-N 2 0 318.490 2.707 20 0 DFADRP C[N@@H+]1CCC[C@@]2(CC[NH+](C[C@H]3CCN(c4ccccc4)C3)C2)C1 ZINC000639206911 430571302 /nfs/dbraw/zinc/57/13/02/430571302.db2.gz CZXGPAPBDDPQKA-UYAOXDASSA-N 2 0 313.489 2.931 20 0 DFADRP C[N@@H+]1CCC[C@]2(CC[NH+](C[C@@H]3CCN(c4ccccc4)C3)C2)C1 ZINC000639206907 430571515 /nfs/dbraw/zinc/57/15/15/430571515.db2.gz CZXGPAPBDDPQKA-ICSRJNTNSA-N 2 0 313.489 2.931 20 0 DFADRP COCCOCc1ccc(C[NH2+][C@@H](C)C2CC[NH+](C)CC2)cc1 ZINC000643319289 430580987 /nfs/dbraw/zinc/58/09/87/430580987.db2.gz LEMPMVIJJHNVHV-INIZCTEOSA-N 2 0 320.477 2.670 20 0 DFADRP CC(C)C[N@@H+]1CCCC[C@@H]1CN[C@@H]1CC[NH+](C)[C@H]2CCC[C@@H]21 ZINC000552062658 430582276 /nfs/dbraw/zinc/58/22/76/430582276.db2.gz CGDHHUSETGNKCB-MKXGPGLRSA-N 2 0 307.526 2.959 20 0 DFADRP CC[NH+]1CCC(C[NH2+][C@@H]2CCN[C@@H](c3ccccc3)C2)CC1 ZINC000643453686 430602108 /nfs/dbraw/zinc/60/21/08/430602108.db2.gz RJZBNOXIWFLRIL-RTBURBONSA-N 2 0 301.478 2.801 20 0 DFADRP Cn1cnc(CC[NH2+][C@@H]2CCN(C3CC3)[C@@H](c3ccccc3)C2)c1 ZINC000639256423 430589392 /nfs/dbraw/zinc/58/93/92/430589392.db2.gz ZHNZTDOZZDDXDD-YLJYHZDGSA-N 2 0 324.472 2.920 20 0 DFADRP C[C@H](CCCc1cccnc1)[NH2+]C1CC[NH+](CC(C)(C)O)CC1 ZINC000639256362 430590354 /nfs/dbraw/zinc/59/03/54/430590354.db2.gz HHXXVDVNSOMXJV-MRXNPFEDSA-N 2 0 319.493 2.618 20 0 DFADRP Cn1cnc(CC[NH2+][C@H]2CCN(C3CC3)[C@@H](c3ccccc3)C2)c1 ZINC000639256418 430590420 /nfs/dbraw/zinc/59/04/20/430590420.db2.gz ZHNZTDOZZDDXDD-FXAWDEMLSA-N 2 0 324.472 2.920 20 0 DFADRP CC[N@H+](Cc1ccc(OCC[NH+]2CCCC2)cc1)[C@H]1CCOC1 ZINC000643353314 430590614 /nfs/dbraw/zinc/59/06/14/430590614.db2.gz OZFKWXOVWGBIOZ-SFHVURJKSA-N 2 0 318.461 2.772 20 0 DFADRP C[C@H]([NH2+]C[C@@H]1CCN(c2ccc(F)c(F)c2)C1)[C@@H]1CCCC[NH2+]1 ZINC000643453177 430602420 /nfs/dbraw/zinc/60/24/20/430602420.db2.gz MOHWEZFMSFBOHO-DEYYWGMASA-N 2 0 323.431 2.911 20 0 DFADRP COc1cccc2c1OC[C@H]([NH2+][C@H](C)C[C@@H]1CCCCC[NH2+]1)C2 ZINC000643452049 430602473 /nfs/dbraw/zinc/60/24/73/430602473.db2.gz RCRBGWIRNSQDOY-HYVNUMGLSA-N 2 0 318.461 2.899 20 0 DFADRP CO[C@H](C[NH2+]C[C@@H]1C[N@H+](C)C[C@H]1c1ccccc1)CC(C)C ZINC000639287252 430599553 /nfs/dbraw/zinc/59/95/53/430599553.db2.gz YAUZZGUYOJOYNH-QYZOEREBSA-N 2 0 304.478 2.983 20 0 DFADRP COc1ccc(C2([NH2+]CC[C@H]3CCC[NH2+]C3)CCOCC2)cc1 ZINC000643058518 430545728 /nfs/dbraw/zinc/54/57/28/430545728.db2.gz NMKHROJGBCQKIT-MRXNPFEDSA-N 2 0 318.461 2.680 20 0 DFADRP c1ccc2c(c1)COC21CC[NH+](CC[C@H]2CCC[NH2+]C2)CC1 ZINC000643058214 430546253 /nfs/dbraw/zinc/54/62/53/430546253.db2.gz QZDVKGAYIIEXFE-MRXNPFEDSA-N 2 0 300.446 2.898 20 0 DFADRP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@@H+]2C[C@@H]1CCC2(CCCC2)O1 ZINC000554825762 430652356 /nfs/dbraw/zinc/65/23/56/430652356.db2.gz ZLJYGRLVHUVXIK-XMTFNYHQSA-N 2 0 322.493 2.662 20 0 DFADRP C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2cccc(-n3cccn3)c2)C1 ZINC000554885604 430654238 /nfs/dbraw/zinc/65/42/38/430654238.db2.gz CKAKBNQEKMTYGV-HKUYNNGSSA-N 2 0 310.445 2.788 20 0 DFADRP COc1ccc2[nH]cc(CC[NH2+][C@H](C)[C@@H]3CCC[NH2+]C3)c2c1 ZINC000643453871 430602758 /nfs/dbraw/zinc/60/27/58/430602758.db2.gz DQUJNDHBYSFDMU-ZIAGYGMSSA-N 2 0 301.434 2.697 20 0 DFADRP COc1ccc2[nH]cc(CC[NH2+][C@H]3CCCCC[C@H]3[NH3+])c2c1 ZINC000643453982 430602978 /nfs/dbraw/zinc/60/29/78/430602978.db2.gz QSXDAWQFLZSNTA-AEFFLSMTSA-N 2 0 301.434 2.969 20 0 DFADRP C[C@H]([NH2+]CC1CC[NH+](C2CCOCC2)CC1)[C@H]1CC1(F)F ZINC000639302291 430603330 /nfs/dbraw/zinc/60/33/30/430603330.db2.gz CYSDWPJOMFKWFT-SWLSCSKDSA-N 2 0 302.409 2.511 20 0 DFADRP C[C@@H](CN(C)CCC[NH+](C)C)[NH2+]Cc1cc2ccccc2n1C ZINC000639307379 430604048 /nfs/dbraw/zinc/60/40/48/430604048.db2.gz WRPSDPHTYKUMPX-INIZCTEOSA-N 2 0 316.493 2.540 20 0 DFADRP Cc1ccc(CC[NH2+]Cc2ccc(C[N@@H+]3CC[C@@H](O)C3)cc2)cc1 ZINC000639308015 430604762 /nfs/dbraw/zinc/60/47/62/430604762.db2.gz JZLPKVJOOPOUQZ-OAQYLSRUSA-N 2 0 324.468 2.894 20 0 DFADRP c1nn(-c2cc[nH+]cc2)cc1N[C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1 ZINC000643469440 430605989 /nfs/dbraw/zinc/60/59/89/430605989.db2.gz VTGFLZBTGHOIMX-FGTMMUONSA-N 2 0 311.433 2.990 20 0 DFADRP C[C@H](N[C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21)[C@H]1CCC[NH2+]1 ZINC000643480440 430606856 /nfs/dbraw/zinc/60/68/56/430606856.db2.gz TWBWYKUCOLDXRF-AEEMCCEDSA-N 2 0 313.489 2.627 20 0 DFADRP C[C@H](N[C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21)[C@H]1CCC[NH2+]1 ZINC000643480441 430607190 /nfs/dbraw/zinc/60/71/90/430607190.db2.gz TWBWYKUCOLDXRF-LFAQGZIKSA-N 2 0 313.489 2.627 20 0 DFADRP COc1ccc2c(c1)OC[C@H]([NH2+][C@@H]1C[C@@H]([NH3+])c3ccccc31)C2 ZINC000643477730 430607318 /nfs/dbraw/zinc/60/73/18/430607318.db2.gz IAMWLYVXGLXWTD-FSPWUOQZSA-N 2 0 310.397 2.733 20 0 DFADRP c1ccc2c(c1)CC[C@H](C[NH2+][C@@H]1CCOC[C@@H]1[C@H]1CCC[NH2+]1)C2 ZINC000643478091 430607830 /nfs/dbraw/zinc/60/78/30/430607830.db2.gz XZVMFARSVGMFDT-YGWPLHOASA-N 2 0 314.473 2.538 20 0 DFADRP C[C@@]1(C[NH+]2CCC([N@@H+]3CC[C@H](O)C3)CC2)C[C@H]1c1ccccc1 ZINC000639330509 430612507 /nfs/dbraw/zinc/61/25/07/430612507.db2.gz LFHIFRXEPLEQHD-UFYCRDLUSA-N 2 0 314.473 2.711 20 0 DFADRP C[C@H]([NH2+]Cc1ccc2c(c1)C[NH2+]C2)c1cccc(-n2ccnn2)c1 ZINC000643523726 430612745 /nfs/dbraw/zinc/61/27/45/430612745.db2.gz MCYNJAJIUPXSCX-AWEZNQCLSA-N 2 0 319.412 2.721 20 0 DFADRP C[C@@H]([NH2+][C@@H]1CC12CC[NH2+]CC2)c1ccc2c(c1)OCCCO2 ZINC000643534576 430612809 /nfs/dbraw/zinc/61/28/09/430612809.db2.gz YETOLILBMDTYBI-CXAGYDPISA-N 2 0 302.418 2.641 20 0 DFADRP COc1ccc(C[C@H](C)[NH2+][C@@H]2CCC[NH2+]CC2)c(C)c1OC ZINC000643522534 430613087 /nfs/dbraw/zinc/61/30/87/430613087.db2.gz ONTPRGSDDJNSKV-XJKSGUPXSA-N 2 0 306.450 2.675 20 0 DFADRP c1c2c(nn1-c1ccccc1)CCC[C@@H]2[NH2+][C@H]1CCC[NH2+]CC1 ZINC000643522973 430613394 /nfs/dbraw/zinc/61/33/94/430613394.db2.gz VGMHRDHOTRUXGC-YJBOKZPZSA-N 2 0 310.445 2.981 20 0 DFADRP FCCOCC[NH2+][C@@H]1CCN(C2CC2)[C@H](c2ccccc2)C1 ZINC000639337244 430613799 /nfs/dbraw/zinc/61/37/99/430613799.db2.gz LEXAEKHMVYPALE-AEFFLSMTSA-N 2 0 306.425 2.930 20 0 DFADRP Cc1nn(C)c2sc([C@H](C)[NH2+][C@H]3CC34CC[NH2+]CC4)cc12 ZINC000643535364 430613858 /nfs/dbraw/zinc/61/38/58/430613858.db2.gz CHHZXGDWBTXDIB-FZMZJTMJSA-N 2 0 304.463 2.736 20 0 DFADRP c1c2c(nn1-c1ccccc1)CCC[C@@H]2[NH2+][C@H]1CC12CC[NH2+]CC2 ZINC000643536663 430614614 /nfs/dbraw/zinc/61/46/14/430614614.db2.gz UJKAUXKJCDRVLY-HKUYNNGSSA-N 2 0 322.456 2.981 20 0 DFADRP Cc1nccn1-c1ccc([C@@H](C)[NH2+][C@H]2CC23CC[NH2+]CC3)cc1 ZINC000643537072 430614964 /nfs/dbraw/zinc/61/49/64/430614964.db2.gz YSYHRMFMWFUNMF-KDOFPFPSSA-N 2 0 310.445 2.973 20 0 DFADRP C[C@H]([NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)c1ccccc1-n1cccn1 ZINC000643548188 430615261 /nfs/dbraw/zinc/61/52/61/430615261.db2.gz RASLNJVYOQIKIL-VVLHAWIVSA-N 2 0 310.445 2.911 20 0 DFADRP COc1cc2c(cc1OC)[C@@H]([NH2+][C@H]1CC[NH2+]C3(CCC3)C1)CC2 ZINC000643548609 430615884 /nfs/dbraw/zinc/61/58/84/430615884.db2.gz RVLHBTWEWSHFQD-HOCLYGCPSA-N 2 0 316.445 2.955 20 0 DFADRP CC(=O)Nc1ccc([C@H](C)[NH2+][C@H]2CC[NH2+]C3(CCC3)C2)cc1 ZINC000643548881 430616240 /nfs/dbraw/zinc/61/62/40/430616240.db2.gz WTDOBQCGVCTTPJ-GUYCJALGSA-N 2 0 301.434 2.970 20 0 DFADRP C[C@@H]([NH2+][C@H]1CC[NH2+]C2(CCC2)C1)c1ccc2c(c1)CCC(=O)N2 ZINC000643546630 430616391 /nfs/dbraw/zinc/61/63/91/430616391.db2.gz RZLNDRHFUCUKAW-CJNGLKHVSA-N 2 0 313.445 2.897 20 0 DFADRP CCO[C@@H]1C[C@H]([NH2+]C[C@H]2CCN2C2CCCCC2)[C@]12CCCO2 ZINC000639346715 430617134 /nfs/dbraw/zinc/61/71/34/430617134.db2.gz VAIQKVDLJLDLHX-FCGDIQPGSA-N 2 0 322.493 2.710 20 0 DFADRP O[C@@H](C[NH2+]CC1CCN(c2cc[nH+]cc2)CC1)CC1CCCC1 ZINC000571315147 430619764 /nfs/dbraw/zinc/61/97/64/430619764.db2.gz CGORTYWLLZJVCU-LJQANCHMSA-N 2 0 317.477 2.829 20 0 DFADRP [NH3+][C@@H]1CCC[C@H]([NH2+][C@H]2CCCN(Cc3c(F)cccc3F)C2)C1 ZINC000571344549 430622176 /nfs/dbraw/zinc/62/21/76/430622176.db2.gz UISNMZDMJSCIGT-ILXRZTDVSA-N 2 0 323.431 2.789 20 0 DFADRP C[C@@H](Cc1ccc(Cl)cc1)[NH2+][C@@H]1CCC[C@@H]1N1CC[C@@H](O)C1 ZINC000639371218 430622240 /nfs/dbraw/zinc/62/22/40/430622240.db2.gz FYJUZVKIDJTBPO-LIRZEXBASA-N 2 0 322.880 2.848 20 0 DFADRP C[C@@H]([NH2+][C@@H]1CCC[C@@H]1N1CC[C@H](O)C1)[C@@H]1C[C@H]1c1ccccc1 ZINC000639369869 430622424 /nfs/dbraw/zinc/62/24/24/430622424.db2.gz AWUGORJTCRGMSE-HRKNKHRHSA-N 2 0 314.473 2.756 20 0 DFADRP O[C@H]1CCN([C@@H]2CCC[C@@H]2[NH2+][C@@H]2CCCc3ccccc3C2)C1 ZINC000639373733 430624599 /nfs/dbraw/zinc/62/45/99/430624599.db2.gz UGAJQOGUNKOLMB-FUMNGEBKSA-N 2 0 314.473 2.511 20 0 DFADRP C[C@@H]([NH2+][C@@H]1CCC[C@@H]1N1CC[C@@H](O)C1)C1CCC(F)(F)CC1 ZINC000639373677 430624840 /nfs/dbraw/zinc/62/48/40/430624840.db2.gz SXLVPXVBUOAWSS-MIGQKNRLSA-N 2 0 316.436 2.778 20 0 DFADRP C[C@H](C[NH2+][C@@H]1CCC[C@@H]1N1CC[C@H](O)C1)c1cc(F)cc(F)c1 ZINC000639373663 430624903 /nfs/dbraw/zinc/62/49/03/430624903.db2.gz SQJZUZFAOMFDBC-IUHNQTRMSA-N 2 0 324.415 2.646 20 0 DFADRP C[C@@]1(C[NH2+][C@@H]2CCC[C@@H]2N2CC[C@H](O)C2)C[C@H]1c1ccccc1 ZINC000639373702 430624925 /nfs/dbraw/zinc/62/49/25/430624925.db2.gz TYUUILHUXFLIOZ-KNJMJIDISA-N 2 0 314.473 2.758 20 0 DFADRP Cc1cccc2[nH]c(C[NH2+][C@@H]3CCC[C@@H]3N3CC[C@@H](O)C3)cc21 ZINC000639373802 430625295 /nfs/dbraw/zinc/62/52/95/430625295.db2.gz VOZZFNQXNBJJOZ-LZQZEXGQSA-N 2 0 313.445 2.554 20 0 DFADRP CC(C)[C@H](CO)C[NH2+][C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000554095007 430627437 /nfs/dbraw/zinc/62/74/37/430627437.db2.gz ASSJIYBFUPLCMD-LWYYNNOASA-N 2 0 316.489 2.751 20 0 DFADRP COc1ccc([C@H](OC)[C@H](C)[NH2+][C@H](C)[C@@H]2CCC[NH2+]C2)cc1 ZINC000571431468 430628088 /nfs/dbraw/zinc/62/80/88/430628088.db2.gz JGKHBXUEMVEIOZ-CXHZTBPHSA-N 2 0 306.450 2.749 20 0 DFADRP C[C@@H]1CCCN(c2cc(NC[C@@H]3CC[N@@H+](C4CC4)C3)ncn2)C1 ZINC000554211562 430630165 /nfs/dbraw/zinc/63/01/65/430630165.db2.gz ZVFRIHYPJNIJKW-CABCVRRESA-N 2 0 315.465 2.609 20 0 DFADRP COc1nccc(CNC2CC[NH+]([C@@H]3CCCC[C@@H]3C)CC2)n1 ZINC000571492584 430630191 /nfs/dbraw/zinc/63/01/91/430630191.db2.gz YQSMPKYOSKHFHW-WMLDXEAASA-N 2 0 318.465 2.618 20 0 DFADRP C[C@H]1CCCC[N@@H+]1CCCNC(=O)CC[C@H]1CCCC[NH+]1C ZINC000554213590 430630816 /nfs/dbraw/zinc/63/08/16/430630816.db2.gz DRXZLOFZBHJQFG-DLBZAZTESA-N 2 0 309.498 2.632 20 0 DFADRP CC1CC[NH+](C[C@@H]2CCC[N@H+](Cc3cc[nH]c(=O)c3)C2)CC1 ZINC000639466772 430646777 /nfs/dbraw/zinc/64/67/77/430646777.db2.gz OLPXUUFPXANQEV-KRWDZBQOSA-N 2 0 303.450 2.731 20 0 DFADRP Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)[NH2+][C@H]1CCC[C@@H]([NH3+])C1 ZINC000571700858 430647202 /nfs/dbraw/zinc/64/72/02/430647202.db2.gz AQAINRFRPMIKGG-BIMULSAOSA-N 2 0 318.387 2.983 20 0 DFADRP CC(C)[NH+]1CCN([C@@H]2CC[N@@H+]([C@H]3C=CCCCCC3)C2)CC1 ZINC000555377748 430666337 /nfs/dbraw/zinc/66/63/37/430666337.db2.gz UOWPABCQAGVOJG-RBUKOAKNSA-N 2 0 305.510 2.976 20 0 DFADRP CC[NH+]1CCC(CNC(=O)C(C)(C)[C@H]([NH3+])c2ccccc2)CC1 ZINC000572031811 430668538 /nfs/dbraw/zinc/66/85/38/430668538.db2.gz PDXSCLJGKKEYEH-QGZVFWFLSA-N 2 0 317.477 2.561 20 0 DFADRP C[C@H]([NH2+]C[C@@H](c1ccccc1)C(C)(C)CO)[C@H]1CCC[NH2+]C1 ZINC000572111566 430671755 /nfs/dbraw/zinc/67/17/55/430671755.db2.gz DPBJGGJGRJACFD-SZMVWBNQSA-N 2 0 304.478 2.766 20 0 DFADRP CC[C@@H]([NH2+]C[C@@H]1CCC[N@H+](C)C1)c1ccc(C(=O)OC)cc1 ZINC000556094036 430678883 /nfs/dbraw/zinc/67/88/83/430678883.db2.gz OPALQFZZWXGXBS-WMLDXEAASA-N 2 0 304.434 2.856 20 0 DFADRP COc1cccc(C[N@@H+]2CCCC23CC[NH+](C)CC3)c1OC ZINC000375508604 278010246 /nfs/dbraw/zinc/01/02/46/278010246.db2.gz UHFBIDJZVNEORK-UHFFFAOYSA-N 2 0 304.434 2.764 20 0 DFADRP COc1cncc(/C=C\CC[N@H+](C)C[C@@H]2CCC[NH+](C)C2)c1 ZINC000572359504 430683648 /nfs/dbraw/zinc/68/36/48/430683648.db2.gz KWYXPHRYFRBQLU-IMXKFXGHSA-N 2 0 303.450 2.767 20 0 DFADRP COc1cccc2c1CC[N@H+](CC[C@H]1CCCC[NH+]1C)CC2 ZINC000373229981 278027909 /nfs/dbraw/zinc/02/79/09/278027909.db2.gz PMGFVGPBLMBHKF-QGZVFWFLSA-N 2 0 302.462 2.970 20 0 DFADRP C[C@@H]1C[N@H+](C)CC[C@H]1N(C)Cc1cnc(-c2ccncc2)s1 ZINC000572409201 430686261 /nfs/dbraw/zinc/68/62/61/430686261.db2.gz CDTXEMALVIVJGE-CZUORRHYSA-N 2 0 316.474 2.977 20 0 DFADRP C[C@@]1([NH3+])CCCC[C@@H]1C(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000263015850 278126321 /nfs/dbraw/zinc/12/63/21/278126321.db2.gz QJAKFVNMQJYQMZ-IEBWSBKVSA-N 2 0 321.509 2.807 20 0 DFADRP c1ccc(C[N@@H+]2CCC3(C2)CC[NH+](Cc2cnccn2)CC3)cc1 ZINC000556773662 430692041 /nfs/dbraw/zinc/69/20/41/430692041.db2.gz ICPNTUZHUPKAMS-UHFFFAOYSA-N 2 0 322.456 2.965 20 0 DFADRP Cc1ccc2[nH]c3c(c2c1)CCC[C@@H]3[NH2+]C[C@]1(O)CCN(C)C1 ZINC000572678024 430694246 /nfs/dbraw/zinc/69/42/46/430694246.db2.gz FSYAPOYWTRDCDH-PKOBYXMFSA-N 2 0 313.445 2.510 20 0 DFADRP CC(C)[N@@H+]1CC[C@H](C[NH2+]Cc2cn(C)nc2-c2cccs2)C1 ZINC000556938521 430696209 /nfs/dbraw/zinc/69/62/09/430696209.db2.gz CJJWZOJLASXPEN-CQSZACIVSA-N 2 0 318.490 2.969 20 0 DFADRP C[C@H]1CC[C@@H](C[N@H+](C)CC2CCN(c3cc[nH+]cc3)CC2)O1 ZINC000373699295 278377432 /nfs/dbraw/zinc/37/74/32/278377432.db2.gz IBANVXDHUBJGFH-YJBOKZPZSA-N 2 0 303.450 2.797 20 0 DFADRP [NH3+][C@H](CCC(=O)N[C@H]1CC[NH2+]C2(CCC2)C1)CC1CCCCC1 ZINC000648187104 430703074 /nfs/dbraw/zinc/70/30/74/430703074.db2.gz KNAOVGBFDYTWQV-SJORKVTESA-N 2 0 321.509 2.855 20 0 DFADRP CC1(C)CCC(O)(C[NH2+]Cc2ccnn2-c2cc[nH+]cc2)CC1 ZINC000657738377 430720404 /nfs/dbraw/zinc/72/04/04/430720404.db2.gz BDXUPUFYWPAPGK-UHFFFAOYSA-N 2 0 314.433 2.688 20 0 DFADRP COc1ccccc1/C=C\C[NH2+]C1CCN([C@H]2CCOC2)CC1 ZINC000657751340 430724886 /nfs/dbraw/zinc/72/48/86/430724886.db2.gz QMKJZQSVMIAWID-SUZKBHRPSA-N 2 0 316.445 2.551 20 0 DFADRP c1cc2c(c(C[NH2+]C3CCN([C@H]4CCOC4)CC3)c1)CCC2 ZINC000657753154 430724943 /nfs/dbraw/zinc/72/49/43/430724943.db2.gz UPXWOHAAMVEHHT-SFHVURJKSA-N 2 0 300.446 2.518 20 0 DFADRP C[C@@H](Cc1cnccn1)[NH2+]C[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000651210932 430737343 /nfs/dbraw/zinc/73/73/43/430737343.db2.gz ADTDTWGWXDDDHF-PKOBYXMFSA-N 2 0 324.472 2.909 20 0 DFADRP C[C@H](c1ccccc1)[C@@H](O)C[NH2+]Cc1ccnn1-c1cc[nH+]cc1 ZINC000657797237 430738506 /nfs/dbraw/zinc/73/85/06/430738506.db2.gz IRBJFWVWUAQCFF-BEFAXECRSA-N 2 0 322.412 2.522 20 0 DFADRP c1cc(C[NH2+]CC2CC[NH+](CC3CC3)CC2)n(CC2CC2)n1 ZINC000657816059 430743353 /nfs/dbraw/zinc/74/33/53/430743353.db2.gz UPOJLXRKUNVYMT-UHFFFAOYSA-N 2 0 302.466 2.505 20 0 DFADRP O[C@H](C[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1)Cc1ccc2ccccc2c1 ZINC000644524038 430744490 /nfs/dbraw/zinc/74/44/90/430744490.db2.gz NAWQVCIIIRSMRM-ACRUOGEOSA-N 2 0 324.468 2.960 20 0 DFADRP CC(C)[C@H](C[NH2+][C@@H](C)C(C)(C)C(F)F)N1CC[NH+](C)CC1 ZINC000657834315 430748499 /nfs/dbraw/zinc/74/84/99/430748499.db2.gz SFWJKJQLMRXMOM-KBPBESRZSA-N 2 0 305.457 2.528 20 0 DFADRP CC[NH+]1CCN([C@H](C)C[NH2+][C@@H](C)c2cc3cnccc3o2)CC1 ZINC000657835262 430750729 /nfs/dbraw/zinc/75/07/29/430750729.db2.gz FCPFJHSIMSTILX-CABCVRRESA-N 2 0 316.449 2.504 20 0 DFADRP C[C@@H]([NH2+]CCCC[NH+]1CCOCC1)c1cc2cnccc2o1 ZINC000657839109 430751270 /nfs/dbraw/zinc/75/12/70/430751270.db2.gz LSUSDYBZKKLKLV-CQSZACIVSA-N 2 0 303.406 2.591 20 0 DFADRP CC(C)[NH+]1CCC(O)(C[NH2+]C2CCc3ccccc3CC2)CC1 ZINC000651252571 430751510 /nfs/dbraw/zinc/75/15/10/430751510.db2.gz JDKNYIYMCVKOHK-UHFFFAOYSA-N 2 0 316.489 2.759 20 0 DFADRP C[C@@H]([NH2+]C[C@@H](O)CN1CCCCC1)c1cc2ccncc2s1 ZINC000657846700 430753248 /nfs/dbraw/zinc/75/32/48/430753248.db2.gz PRFJXIUDUXTEDT-UKRRQHHQSA-N 2 0 319.474 2.794 20 0 DFADRP CC[C@@H](Cc1ccc(Cl)cc1)[NH2+]CC1(O)CC[NH+](C)CC1 ZINC000657891484 430760591 /nfs/dbraw/zinc/76/05/91/430760591.db2.gz ZVFILNYNPZCNGU-INIZCTEOSA-N 2 0 310.869 2.707 20 0 DFADRP c1ccc2c(c1)CCC[C@H]([NH2+]CCCC[NH+]1CCOCC1)C2 ZINC000648424397 430783604 /nfs/dbraw/zinc/78/36/04/430783604.db2.gz ACARPBSDADXKAY-IBGZPJMESA-N 2 0 302.462 2.636 20 0 DFADRP CN(C[C@H](O)C[NH2+]C1CCC(C)(c2ccccc2)CC1)C1CC1 ZINC000644601971 430766893 /nfs/dbraw/zinc/76/68/93/430766893.db2.gz FOBCLPMYYJWAAZ-SKINQDTJSA-N 2 0 316.489 2.932 20 0 DFADRP C[C@@H]1C[NH+](CCCC[NH2+][C@H]2CCCSCC2)C[C@@H](C)O1 ZINC000657918547 430767250 /nfs/dbraw/zinc/76/72/50/430767250.db2.gz DXIYIGPEVWMOEZ-OAGGEKHMSA-N 2 0 300.512 2.751 20 0 DFADRP C[C@@H]1C[NH+](CCCC[NH2+][C@@H]2CCCSCC2)C[C@@H](C)O1 ZINC000657918544 430767439 /nfs/dbraw/zinc/76/74/39/430767439.db2.gz DXIYIGPEVWMOEZ-BZUAXINKSA-N 2 0 300.512 2.751 20 0 DFADRP C[C@@H]([NH2+]Cc1ccnc(OCC[NH+](C)C)c1)C(C)(C)C(F)F ZINC000657937299 430772797 /nfs/dbraw/zinc/77/27/97/430772797.db2.gz UHZOQCVESKTHMM-GFCCVEGCSA-N 2 0 315.408 2.791 20 0 DFADRP CN(Cc1ccccc1)C[C@H](O)C[NH2+]CCC(C)(C)C1CC1 ZINC000644654794 430779903 /nfs/dbraw/zinc/77/99/03/430779903.db2.gz DCPYOCLWQMFSSH-GOSISDBHSA-N 2 0 304.478 2.895 20 0 DFADRP C[C@@H](CN(C)CCC[NH+](C)C)[NH2+][C@H]1CCc2c1cccc2F ZINC000658108588 430814263 /nfs/dbraw/zinc/81/42/63/430814263.db2.gz OFXGBYWVUYYWSV-KSSFIOAISA-N 2 0 307.457 2.675 20 0 DFADRP COc1cc(C)ccc1[C@H](C)[NH2+][C@@H](C)CN(C)CCC[NH+](C)C ZINC000658110290 430814345 /nfs/dbraw/zinc/81/43/45/430814345.db2.gz XCDCBKHEIMPBMX-IRXDYDNUSA-N 2 0 321.509 2.926 20 0 DFADRP C[C@@H](CN(C)CCC[NH+](C)C)[NH2+]C1CC(c2ccc(F)cc2)C1 ZINC000658109732 430814379 /nfs/dbraw/zinc/81/43/79/430814379.db2.gz WEIYHXIQYSHLST-DMKPSLHHSA-N 2 0 321.484 2.933 20 0 DFADRP Cc1ccc2c(c1)[C@@H]([NH2+][C@@H](C)CN(C)CCC[NH+](C)C)CC2 ZINC000658110181 430814872 /nfs/dbraw/zinc/81/48/72/430814872.db2.gz WEQUGQJJFVGVIZ-LPHOPBHVSA-N 2 0 303.494 2.844 20 0 DFADRP C[C@@H](CN(C)CCC[NH+](C)C)[NH2+][C@@H]1CCCc2ccc(O)cc21 ZINC000658107724 430815749 /nfs/dbraw/zinc/81/57/49/430815749.db2.gz NPQBHGAZALFSMY-HNAYVOBHSA-N 2 0 319.493 2.631 20 0 DFADRP O[C@@H]1CC[N@H+](Cc2ccc(C[NH2+][C@@H]3CC[C@@H]3C3CCC3)cc2)C1 ZINC000658134346 430820300 /nfs/dbraw/zinc/82/03/00/430820300.db2.gz AKJPYQBCHXMBSA-VAMGGRTRSA-N 2 0 314.473 2.922 20 0 DFADRP CC1(C)CC[C@@H]([NH2+]Cc2ccc(C[N@@H+]3CC[C@H](O)C3)cc2)C1 ZINC000658136620 430820512 /nfs/dbraw/zinc/82/05/12/430820512.db2.gz HNZGVVQAMZWOAW-MSOLQXFVSA-N 2 0 302.462 2.922 20 0 DFADRP CC[C@@H]1CCC[C@H]1[NH2+]Cc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1 ZINC000658136221 430820612 /nfs/dbraw/zinc/82/06/12/430820612.db2.gz CIZLFJYQXHJIGD-GUDVDZBRSA-N 2 0 302.462 2.922 20 0 DFADRP CC[C@H]([NH2+]Cc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1)[C@@H]1C[C@@H]1C ZINC000658135295 430820654 /nfs/dbraw/zinc/82/06/54/430820654.db2.gz CZLKIXKVHGPKHA-FZDIXFNVSA-N 2 0 302.462 2.777 20 0 DFADRP O[C@@H]1CC[N@H+](Cc2ccc(C[NH2+][C@@H]3CC[C@H]3C3CCC3)cc2)C1 ZINC000658134344 430820848 /nfs/dbraw/zinc/82/08/48/430820848.db2.gz AKJPYQBCHXMBSA-HSALFYBXSA-N 2 0 314.473 2.922 20 0 DFADRP O[C@@H]1CC[N@H+](Cc2ccc(C[NH2+][C@H]3CCC34CCC4)cc2)C1 ZINC000658136521 430821276 /nfs/dbraw/zinc/82/12/76/430821276.db2.gz HKEPRKREIOWQED-MSOLQXFVSA-N 2 0 300.446 2.676 20 0 DFADRP C[C@@H]([NH2+]Cc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1)c1ccoc1 ZINC000658136120 430821425 /nfs/dbraw/zinc/82/14/25/430821425.db2.gz BQSMKLDTZIAQDN-RDTXWAMCSA-N 2 0 300.402 2.697 20 0 DFADRP CC(C)[C@@H]([NH2+]Cc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1)C1CC1 ZINC000658139902 430823136 /nfs/dbraw/zinc/82/31/36/430823136.db2.gz NZGSJBWPMHILRD-RTBURBONSA-N 2 0 302.462 2.777 20 0 DFADRP CC1CC[NH+](CCC[NH2+]C2CCN(c3cc[nH+]cc3)CC2)CC1 ZINC000298540440 278539802 /nfs/dbraw/zinc/53/98/02/278539802.db2.gz SXUGKGOXWGKLPF-UHFFFAOYSA-N 3 0 316.493 2.762 20 0 DFADRP C[C@H](CC1CCC1)[NH2+]Cc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1 ZINC000658141281 430824207 /nfs/dbraw/zinc/82/42/07/430824207.db2.gz SMBSHPWQXPMMCP-DNVCBOLYSA-N 2 0 302.462 2.922 20 0 DFADRP C[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1 ZINC000658142860 430824395 /nfs/dbraw/zinc/82/43/95/430824395.db2.gz FCAHAWYLZRYZJP-LZQZEXGQSA-N 2 0 302.462 2.922 20 0 DFADRP C[C@@H](COc1c(F)cccc1F)[NH2+][C@@H]1CN(C2CC2)C[C@H]1C ZINC000658178607 430835664 /nfs/dbraw/zinc/83/56/64/430835664.db2.gz OICUILMSYSRHIU-BFQNTYOBSA-N 2 0 310.388 2.804 20 0 DFADRP C[C@@H]([NH2+]C1CC[NH+]([C@@H](C)Cc2ccccc2)CC1)C(C)(C)O ZINC000648439877 430787680 /nfs/dbraw/zinc/78/76/80/430787680.db2.gz HDRPQIPCQKJJIO-JKSUJKDBSA-N 2 0 304.478 2.831 20 0 DFADRP C[C@@H]([NH2+][C@@H]1CCN(C2CC[NH+](C)CC2)C1)[C@H]1CCCC[C@H]1C ZINC000648450653 430791504 /nfs/dbraw/zinc/79/15/04/430791504.db2.gz ZMABPLRHGFSSPP-MTNOOBJLSA-N 2 0 307.526 2.959 20 0 DFADRP C([NH2+][C@H]1CCCSCC1)C1CC[NH+](C2CCOCC2)CC1 ZINC000658068975 430798005 /nfs/dbraw/zinc/79/80/05/430798005.db2.gz BUMNTINTCRJKEO-INIZCTEOSA-N 2 0 312.523 2.753 20 0 DFADRP COCC[C@H]1CCC[C@H]1[NH2+]CC1CC[NH+](C2CCOCC2)CC1 ZINC000658069201 430798245 /nfs/dbraw/zinc/79/82/45/430798245.db2.gz CTEMLLNBXSBFQO-IEBWSBKVSA-N 2 0 324.509 2.672 20 0 DFADRP CCO[C@@H]1C[C@H]([NH2+]CC2CC[NH+](C3CCOCC3)CC2)C1(C)C ZINC000658066926 430798439 /nfs/dbraw/zinc/79/84/39/430798439.db2.gz GXUUJZLSDCLLNY-ZWKOTPCHSA-N 2 0 324.509 2.671 20 0 DFADRP C[C@H]([NH2+]CC1CC[NH+](C2CCOCC2)CC1)c1ccc(F)cn1 ZINC000658067795 430798677 /nfs/dbraw/zinc/79/86/77/430798677.db2.gz QVORTJVGHJMCQY-AWEZNQCLSA-N 2 0 321.440 2.762 20 0 DFADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@H](CO)CC1CC1 ZINC000658246678 430850458 /nfs/dbraw/zinc/85/04/58/430850458.db2.gz FVIDEUHKXOLOOC-AHRSYUTCSA-N 2 0 316.489 2.895 20 0 DFADRP CCc1cccc(C[NH2+][C@H]2CCN(C3CC[NH+](C)CC3)C2)c1 ZINC000651708885 430855223 /nfs/dbraw/zinc/85/52/23/430855223.db2.gz DPDCTAWMGFDUSM-SFHVURJKSA-N 2 0 301.478 2.507 20 0 DFADRP COc1cc(OC)c(C[NH2+]C[C@@H]2CCCn3ccnc32)cc1F ZINC000651721490 430858811 /nfs/dbraw/zinc/85/88/11/430858811.db2.gz GDMWNYJSJUEKFV-LBPRGKRZSA-N 2 0 319.380 2.707 20 0 DFADRP CCCN1CC[C@H]([NH2+][C@@H](C)c2cccc(OCC[NH+](C)C)c2)C1 ZINC000658286534 430863421 /nfs/dbraw/zinc/86/34/21/430863421.db2.gz AMIRRWAXVYNKMZ-WMZOPIPTSA-N 2 0 319.493 2.762 20 0 DFADRP C[C@@H]1CC[NH+](C/C=C/C[N@H+]2CC[C@@H](C)O[C@@H](C)C2)C[C@H](C)O1 ZINC000661850638 430864602 /nfs/dbraw/zinc/86/46/02/430864602.db2.gz LTNDWJBNTOOTNX-XMURRGPJSA-N 2 0 310.482 2.541 20 0 DFADRP c1cc2cc(C[NH2+][C@@H]3CCOC[C@H]3[C@H]3CCC[NH2+]3)ccc2o1 ZINC000665238131 430864632 /nfs/dbraw/zinc/86/46/32/430864632.db2.gz RGOQDYQAJVXJNY-GVDBMIGSSA-N 2 0 300.402 2.680 20 0 DFADRP C[NH+]1CCN(CCC(C)(C)[NH2+]Cc2cccc3c2CCC3)CC1 ZINC000651765068 430872025 /nfs/dbraw/zinc/87/20/25/430872025.db2.gz BXHSTIOMABFFOH-UHFFFAOYSA-N 2 0 315.505 2.681 20 0 DFADRP CNC(=O)CC1(C[NH2+][C@@H]2CC[N@H+](C)[C@@H]3CCC[C@H]32)CCCCC1 ZINC000658307569 430873259 /nfs/dbraw/zinc/87/32/59/430873259.db2.gz LLSHMSCKATWIJA-GVDBMIGSSA-N 2 0 321.509 2.535 20 0 DFADRP COc1cc(OC)c(CN2CCCC23CC[NH+](C)CC3)cc1F ZINC000651778920 430873780 /nfs/dbraw/zinc/87/37/80/430873780.db2.gz NRIVVFKQSYFBJD-UHFFFAOYSA-N 2 0 322.424 2.903 20 0 DFADRP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+][C@H]1COc2cc(F)ccc2C1 ZINC000665267015 430875894 /nfs/dbraw/zinc/87/58/94/430875894.db2.gz NVEQMNXVQHHDIM-VHSSKADRSA-N 2 0 314.404 2.677 20 0 DFADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+][C@@H]1COc2cc(F)ccc2C1 ZINC000665266532 430876495 /nfs/dbraw/zinc/87/64/95/430876495.db2.gz DMSJUUXMDFBNMR-WBMJQRKESA-N 2 0 315.392 2.642 20 0 DFADRP [NH3+][C@@H]1CCC[C@H]1NC[C@H]1C[N@H+](Cc2ccccc2)CC12CCC2 ZINC000665277238 430879421 /nfs/dbraw/zinc/87/94/21/430879421.db2.gz XERGCUJGLPMFGV-IPMKNSEASA-N 3 0 313.489 2.758 20 0 DFADRP CC(C)[NH+]1CCC([NH2+]C[C@@H]2CCN2Cc2ccccc2)CC1 ZINC000658348406 430882821 /nfs/dbraw/zinc/88/28/21/430882821.db2.gz PMZWOONQLOEUPD-IBGZPJMESA-N 2 0 301.478 2.723 20 0 DFADRP CO[C@H]1C[C@H]2C[C@@H]([NH2+]CC3CC[NH+](CC4CC4)CC3)C[C@H]2C1 ZINC000658352122 430883134 /nfs/dbraw/zinc/88/31/34/430883134.db2.gz DBKCRQOONOIRMF-QGFMHUBQSA-N 2 0 306.494 2.902 20 0 DFADRP Cc1ccc([C@@H](CCn2cncn2)[NH2+]CC[C@@H]([NH3+])C(C)C)cc1 ZINC000665282530 430883904 /nfs/dbraw/zinc/88/39/04/430883904.db2.gz ZQSFNNZRVJFVHB-QZTJIDSGSA-N 2 0 315.465 2.681 20 0 DFADRP C[NH2+]CCCC(=O)N1CCC([NH2+][C@@H](C)c2cc(C)oc2C)CC1 ZINC000665287641 430886236 /nfs/dbraw/zinc/88/62/36/430886236.db2.gz QRARKHXXVPANSG-AWEZNQCLSA-N 2 0 321.465 2.538 20 0 DFADRP CC[C@H]([NH2+]C1CCN(C(=O)CCC[NH2+]C)CC1)c1ccsc1 ZINC000665289707 430887362 /nfs/dbraw/zinc/88/73/62/430887362.db2.gz VHICJWDLUXEPPI-INIZCTEOSA-N 2 0 323.506 2.779 20 0 DFADRP CC[C@H]([NH2+]C1CCN(C(=O)CCC[NH2+]C)CC1)C1CCCC1 ZINC000665288998 430887470 /nfs/dbraw/zinc/88/74/70/430887470.db2.gz CRYNEPXDYHFEKK-KRWDZBQOSA-N 2 0 309.498 2.535 20 0 DFADRP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1[NH2+]C[C@@]1(c2ccccc2)CC1(C)C ZINC000665299307 430888196 /nfs/dbraw/zinc/88/81/96/430888196.db2.gz KERLXGQLIWYUFZ-PCODUJHASA-N 2 0 302.462 2.696 20 0 DFADRP COc1ccc(-c2cc(CN[C@H]3CC[N@H+](C)[C@H](C)C3)on2)cc1 ZINC000658188263 430837677 /nfs/dbraw/zinc/83/76/77/430837677.db2.gz PSTRJINQDIGENX-HIFRSBDPSA-N 2 0 315.417 2.923 20 0 DFADRP Cn1cc(C[C@@H]2CCC[C@H]2[NH2+]CCC[NH+]2CCCCC2)cn1 ZINC000661784719 430841041 /nfs/dbraw/zinc/84/10/41/430841041.db2.gz RIECEYYQPAWZJP-ZWKOTPCHSA-N 2 0 304.482 2.597 20 0 DFADRP COc1cc(OC)c(C[NH2+]CCCC[N@H+](C)C2CC2)cc1F ZINC000651827756 430889842 /nfs/dbraw/zinc/88/98/42/430889842.db2.gz MPZXPDWHJSIFRZ-UHFFFAOYSA-N 2 0 310.413 2.807 20 0 DFADRP [NH3+][C@@H]1CCC[C@@H]([NH2+]Cc2cccc(COC[C@@H]3CCCO3)c2)C1 ZINC000665294638 430889934 /nfs/dbraw/zinc/88/99/34/430889934.db2.gz SLKJKLVWIYTXOX-QRVBRYPASA-N 2 0 318.461 2.742 20 0 DFADRP C([NH2+][C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1)[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000665299638 430891013 /nfs/dbraw/zinc/89/10/13/430891013.db2.gz QRPZPNGGUNSYNE-YDZRNGNQSA-N 3 0 305.510 2.619 20 0 DFADRP CC(C)C[N@H+](C)CCC[NH2+]C1CCN(c2ccccn2)CC1 ZINC000651866218 430899132 /nfs/dbraw/zinc/89/91/32/430899132.db2.gz ZMQJAFQFZXXQJR-UHFFFAOYSA-N 2 0 304.482 2.618 20 0 DFADRP C[NH+](C)CCOc1ccc(C[N@@H+]2CCC[C@@]3(CCOC3)C2)cc1 ZINC000648814370 430900764 /nfs/dbraw/zinc/90/07/64/430900764.db2.gz KANABCZAIXVAKD-LJQANCHMSA-N 2 0 318.461 2.630 20 0 DFADRP Cc1ccc(C[NH+]2CCCC2)cc1NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC000648833194 430907153 /nfs/dbraw/zinc/90/71/53/430907153.db2.gz BBPHTHPLIAKKNA-NVXWUHKLSA-N 2 0 315.461 2.870 20 0 DFADRP CC[N@H+](CCC[NH2+][C@H]1CCC(=O)NC1(C)C)C1CCCCC1 ZINC000651910462 430913579 /nfs/dbraw/zinc/91/35/79/430913579.db2.gz UTZJDSLULBXHIN-INIZCTEOSA-N 2 0 309.498 2.678 20 0 DFADRP CC[NH+]1CCN(CC(C)(C)[NH2+]Cc2cc3ccccc3[nH]2)CC1 ZINC000648851201 430913719 /nfs/dbraw/zinc/91/37/19/430913719.db2.gz QIETXNFDBQUASD-UHFFFAOYSA-N 2 0 314.477 2.674 20 0 DFADRP CCc1nccn1[C@@H](C)CC(=O)NC[C@@H]1[N@H+](C)CCCC1(C)C ZINC000648885969 430925442 /nfs/dbraw/zinc/92/54/42/430925442.db2.gz ZDGIULBWFKFMIZ-GJZGRUSLSA-N 2 0 320.481 2.633 20 0 DFADRP CO[C@H](C[NH2+]Cc1ccc(OCC[NH+]2CCCC2)cc1)C1CC1 ZINC000645205077 430935874 /nfs/dbraw/zinc/93/58/74/430935874.db2.gz DMSVJLIHGNJWMO-LJQANCHMSA-N 2 0 318.461 2.676 20 0 DFADRP CC(C)[C@H]([NH3+])CCNC(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C ZINC000659015765 430940897 /nfs/dbraw/zinc/94/08/97/430940897.db2.gz HAIOPCDALDHZTA-IAGOWNOFSA-N 2 0 318.465 2.730 20 0 DFADRP CC(C)(C)[N@@H+]1CC[C@H](CNC(=O)Nc2ccc3c(c2)C[NH2+]C3)C1 ZINC000659021032 430942055 /nfs/dbraw/zinc/94/20/55/430942055.db2.gz AKPZENGQPZAFJO-CYBMUJFWSA-N 2 0 316.449 2.532 20 0 DFADRP O=C(N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12)[C@H]1CCC[NH+]1C1CCCC1 ZINC000655353277 430973994 /nfs/dbraw/zinc/97/39/94/430973994.db2.gz SLUVHIDUZWIBGP-FGTMMUONSA-N 2 0 319.493 2.527 20 0 DFADRP O[C@H]1CC[N@@H+](C2CCN(Cc3ccc(C(F)F)cc3)CC2)C1 ZINC000662153021 430979167 /nfs/dbraw/zinc/97/91/67/430979167.db2.gz MDKHGVCJDIYLEF-INIZCTEOSA-N 2 0 310.388 2.655 20 0 DFADRP C[C@H](c1ccccc1Cl)N1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000662154422 430980396 /nfs/dbraw/zinc/98/03/96/430980396.db2.gz FDJLJRKHRXQGRD-HIFRSBDPSA-N 2 0 308.853 2.932 20 0 DFADRP O[C@@H]1CC[N@@H+](C2CCN([C@@H]3CCCc4ccc(F)cc43)CC2)C1 ZINC000662154540 430980979 /nfs/dbraw/zinc/98/09/79/430980979.db2.gz XTJMIXYIIOMDKU-IEBWSBKVSA-N 2 0 318.436 2.734 20 0 DFADRP Cc1cc(Cl)ccc1CN1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000662152732 430981464 /nfs/dbraw/zinc/98/14/64/430981464.db2.gz YKTSNWXAYFZUCJ-QGZVFWFLSA-N 2 0 308.853 2.679 20 0 DFADRP C[NH+](C)CCOCC[NH2+][C@@H]1CCc2ccc(F)c(Cl)c21 ZINC000652192584 430982684 /nfs/dbraw/zinc/98/26/84/430982684.db2.gz FWWAPIOSUQRQBD-CYBMUJFWSA-N 2 0 300.805 2.634 20 0 DFADRP C[NH+](C)CCN(C(=O)C[C@H]1[NH2+]Cc2ccccc21)c1ccccc1 ZINC000659257196 431000932 /nfs/dbraw/zinc/00/09/32/431000932.db2.gz XIPMXILSCYSXAQ-LJQANCHMSA-N 2 0 323.440 2.816 20 0 DFADRP C[C@@H]1[NH2+]CC[C@@H]1C(=O)Nc1cccc(C[NH+]2CCCCC2)c1 ZINC000645465125 431007975 /nfs/dbraw/zinc/00/79/75/431007975.db2.gz GLTOOOFEVRKRAU-YOEHRIQHSA-N 2 0 301.434 2.609 20 0 DFADRP C[C@H]1C[C@H]([NH2+]CCc2ccc3c(c2)OC(F)(F)O3)CC[N@@H+]1C ZINC000652315502 431019929 /nfs/dbraw/zinc/01/99/29/431019929.db2.gz WRQCQKNTIDEZAD-WCQYABFASA-N 2 0 312.360 2.623 20 0 DFADRP c1cc(C[N@@H+]2CCC[C@]3(CCCOC3)C2)c2c(c1)C[NH2+]CC2 ZINC000662258200 431020246 /nfs/dbraw/zinc/02/02/46/431020246.db2.gz XXABNEJLRNDKRV-IBGZPJMESA-N 2 0 300.446 2.725 20 0 DFADRP C[C@@H]1C[C@H](c2cccc(F)c2)[N@H+](C[C@H]2CCC3(C[NH2+]C3)O2)C1 ZINC000662256597 431020397 /nfs/dbraw/zinc/02/03/97/431020397.db2.gz WSQBBNGYUKYCSR-KBRIMQKVSA-N 2 0 304.409 2.730 20 0 DFADRP CCc1nc(C)c([C@H](C)[N@H+](C)C[C@H]2CCC3(C[NH2+]C3)O2)s1 ZINC000662262044 431020995 /nfs/dbraw/zinc/02/09/95/431020995.db2.gz DATFCFLYKRJOHE-QWHCGFSZSA-N 2 0 309.479 2.528 20 0 DFADRP CC[C@H]1CN2CCCC[C@H]2C[N@@H+]1Cc1cccc2c1CC[NH2+]C2 ZINC000662266178 431021690 /nfs/dbraw/zinc/02/16/90/431021690.db2.gz YSQCWHMPZRUSES-OALUTQOASA-N 2 0 313.489 2.781 20 0 DFADRP CN1CC[N@H+](Cc2cccc3c2CC[NH2+]C3)Cc2ccccc21 ZINC000662262540 431022125 /nfs/dbraw/zinc/02/21/25/431022125.db2.gz WFDBZBNAHMFRRL-UHFFFAOYSA-N 2 0 307.441 2.784 20 0 DFADRP CCc1cnc(CN(C)Cc2cccc3c2CC[NH2+]C3)s1 ZINC000662266126 431022806 /nfs/dbraw/zinc/02/28/06/431022806.db2.gz XXGKDZHRTHDULJ-UHFFFAOYSA-N 2 0 301.459 2.983 20 0 DFADRP CC[N@H+](CCCNC(=O)[C@@H]1C[C@]12CCC[NH2+]C2)C1CCCCC1 ZINC000655484869 431024831 /nfs/dbraw/zinc/02/48/31/431024831.db2.gz ZIVSXZNUNCYLCD-HKUYNNGSSA-N 2 0 321.509 2.537 20 0 DFADRP C[NH2+]C[C@@](C)(O)C[N@H+]1Cc2ccccc2[C@@H](c2ccccc2)C1 ZINC000652336863 431024869 /nfs/dbraw/zinc/02/48/69/431024869.db2.gz IJRLXBGAEFAUOY-WOJBJXKFSA-N 2 0 310.441 2.605 20 0 DFADRP c1cc2c(cc1C[N@@H+]1CCC[C@H]([C@H]3CCC[NH2+]C3)C1)C[NH2+]CC2 ZINC000652340859 431025420 /nfs/dbraw/zinc/02/54/20/431025420.db2.gz JRSYSIYUVVZUIX-OALUTQOASA-N 3 0 313.489 2.544 20 0 DFADRP C[C@@H](c1nc(-c2cccs2)no1)N1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000652351662 431026887 /nfs/dbraw/zinc/02/68/87/431026887.db2.gz OLUPZORJAWQWQG-MKBNYLNASA-N 2 0 318.446 2.920 20 0 DFADRP CC[C@H]1C[N@H+](CCc2ccc3c(c2)OC(F)(F)O3)CC[C@H]1[NH3+] ZINC000662272129 431027261 /nfs/dbraw/zinc/02/72/61/431027261.db2.gz KJSGIWZMGFZWTJ-QWHCGFSZSA-N 2 0 312.360 2.610 20 0 DFADRP Cc1ccc(CC[N@@H+]2CCC[C@H]([C@H]3C[C@H]([NH3+])CCO3)C2)cc1 ZINC000652348940 431027451 /nfs/dbraw/zinc/02/74/51/431027451.db2.gz WKZDRGBEZMUSOW-IPMKNSEASA-N 2 0 302.462 2.756 20 0 DFADRP C[C@H](C(=O)Nc1ccc(Cl)cc1)N1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000652350724 431027926 /nfs/dbraw/zinc/02/79/26/431027926.db2.gz BUEGZDMZGYBBOO-IGCXYCKISA-N 2 0 321.852 2.728 20 0 DFADRP Cc1ccc(CC[N@@H+]2CCC[C@H]([C@H]3C[C@@H]([NH3+])CCO3)C2)cc1 ZINC000652348939 431028059 /nfs/dbraw/zinc/02/80/59/431028059.db2.gz WKZDRGBEZMUSOW-GBESFXJTSA-N 2 0 302.462 2.756 20 0 DFADRP Cc1ccc(NC(=O)[C@H](C)N2C[C@@H]3CCC[C@]3(C[NH3+])C2)c(F)c1 ZINC000652351716 431028562 /nfs/dbraw/zinc/02/85/62/431028562.db2.gz QCYLEJNEZFXIFP-DEYYWGMASA-N 2 0 319.424 2.522 20 0 DFADRP CCO[C@@H]1C[N@H+](CCOc2cccc3ccccc32)C[C@H]1C[NH3+] ZINC000652356859 431030029 /nfs/dbraw/zinc/03/00/29/431030029.db2.gz LVCSVRLJKWHNDB-VQIMIIECSA-N 2 0 314.429 2.514 20 0 DFADRP c1nn(C2CC[NH+](C[C@@H]3CC[C@@H]4C[C@@H]4C3)CC2)c2c1C[NH2+]C2 ZINC000662283418 431031810 /nfs/dbraw/zinc/03/18/10/431031810.db2.gz NUTPXNGFHAVTJA-KFWWJZLASA-N 2 0 300.450 2.559 20 0 DFADRP COc1ccc(CC[N@@H+]2CCCC[C@@H]2[C@H]2C[C@@H]([NH3+])CCO2)cc1 ZINC000652360977 431032266 /nfs/dbraw/zinc/03/22/66/431032266.db2.gz VMNXNIQTDFXSSP-QXAKKESOSA-N 2 0 318.461 2.599 20 0 DFADRP Clc1ccc([C@H]([NH2+]C[C@@H]2CCC3(C[NH2+]C3)O2)C2CC2)cc1 ZINC000662283582 431032454 /nfs/dbraw/zinc/03/24/54/431032454.db2.gz VEKWHWRRRFWLPD-JKSUJKDBSA-N 2 0 306.837 2.902 20 0 DFADRP [NH3+]C[C@]12CCC[C@H]1C[N@H+](CCc1nsc3ccccc31)C2 ZINC000662284372 431032479 /nfs/dbraw/zinc/03/24/79/431032479.db2.gz HCTKAEQHGVTWQL-GUYCJALGSA-N 2 0 301.459 2.900 20 0 DFADRP CCC[C@@H]([NH2+]C[C@@H]1CCC2(C[NH2+]C2)O1)c1ccc(F)cc1F ZINC000662283524 431032813 /nfs/dbraw/zinc/03/28/13/431032813.db2.gz USQRFXJWALFDDA-XJKSGUPXSA-N 2 0 310.388 2.917 20 0 DFADRP Cc1ccc(C[N@@H+]2CCCC[C@@H]2[C@H]2C[C@@H]([NH3+])CCO2)c(C)n1 ZINC000652364147 431033297 /nfs/dbraw/zinc/03/32/97/431033297.db2.gz ZLZVKNQIUIXLLL-RCCFBDPRSA-N 2 0 303.450 2.559 20 0 DFADRP CN(CC[NH+]1CCC([C@H]2CCC[NH2+]C2)CC1)c1ccccc1 ZINC000662295038 431034227 /nfs/dbraw/zinc/03/42/27/431034227.db2.gz YLKNOFPLMQAPQD-SFHVURJKSA-N 2 0 301.478 2.834 20 0 DFADRP COc1ccc(OCC[N@@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)cc1 ZINC000662294221 431034326 /nfs/dbraw/zinc/03/43/26/431034326.db2.gz JQGQEXJEYQTJJU-KRWDZBQOSA-N 2 0 318.461 2.786 20 0 DFADRP Cc1cccc(C)c1[C@@H]1CCC[N@@H+]1C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662294888 431035359 /nfs/dbraw/zinc/03/53/59/431035359.db2.gz GJZVCWAKAODJHR-IRXDYDNUSA-N 2 0 300.446 2.961 20 0 DFADRP Cc1cccc(C)c1[C@@H]1CCC[N@@H+]1C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662294889 431035389 /nfs/dbraw/zinc/03/53/89/431035389.db2.gz GJZVCWAKAODJHR-SJORKVTESA-N 2 0 300.446 2.961 20 0 DFADRP O=C(CC[N@@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1)Nc1ccccc1 ZINC000662294108 431035821 /nfs/dbraw/zinc/03/58/21/431035821.db2.gz OZHLBJVWBKDUQE-QGZVFWFLSA-N 2 0 315.461 2.727 20 0 DFADRP CO[C@H](C[N@@H+]1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1)c1ccccc1 ZINC000662286208 431035978 /nfs/dbraw/zinc/03/59/78/431035978.db2.gz POYUNBFUUTWTOR-ZSYWTGECSA-N 2 0 318.461 2.592 20 0 DFADRP Fc1ccccc1C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662286961 431036500 /nfs/dbraw/zinc/03/65/00/431036500.db2.gz VFQGQVMPMJZWAH-IRXDYDNUSA-N 2 0 318.436 2.744 20 0 DFADRP Cc1ccc2nc(C[NH+]3CCC([C@H]4CCC[NH2+]C4)CC3)cn2c1 ZINC000662291413 431036518 /nfs/dbraw/zinc/03/65/18/431036518.db2.gz HFZSZZCBOGFRSV-KRWDZBQOSA-N 2 0 312.461 2.854 20 0 DFADRP c1cc(-c2noc(C[N@@H+]3CCC[C@@H](C4CC[NH2+]CC4)C3)n2)co1 ZINC000662298650 431036913 /nfs/dbraw/zinc/03/69/13/431036913.db2.gz WNJQOZIFYNYKEF-CQSZACIVSA-N 2 0 316.405 2.541 20 0 DFADRP CC[C@H]([NH2+][C@H](C)c1cccc(OCC[NH+](C)C)c1)C(C)(C)O ZINC000295082657 288082171 /nfs/dbraw/zinc/08/21/71/288082171.db2.gz UCDXIRAQXSQDMK-PBHICJAKSA-N 2 0 308.466 2.827 20 0 DFADRP [NH3+]C[C@H]1CCc2ccccc2N1Cc1ccc2c(c1)C[NH2+]CC2 ZINC000662304464 431040491 /nfs/dbraw/zinc/04/04/91/431040491.db2.gz JPIKLRAQVNCWCM-LJQANCHMSA-N 2 0 307.441 2.612 20 0 DFADRP Cn1cc(C[C@@H]2CCC[C@H]2[NH2+]Cc2cccc3c2CC[NH2+]C3)cn1 ZINC000662310261 431041313 /nfs/dbraw/zinc/04/13/13/431041313.db2.gz IYZHJSNXGXNIDD-OXJNMPFZSA-N 2 0 324.472 2.567 20 0 DFADRP C[C@H](C1CC1)N(C(=O)C[N@@H+]1CCC[C@@H](C)[C@H]1CCC[NH3+])C1CC1 ZINC000662316414 431043324 /nfs/dbraw/zinc/04/33/24/431043324.db2.gz WLUKZHSVPQCNBK-IIDMSEBBSA-N 2 0 321.509 2.615 20 0 DFADRP C[C@@H]1CCC[N@H+](CCOCC(F)(F)C(F)F)[C@@H]1CCC[NH3+] ZINC000662314448 431043692 /nfs/dbraw/zinc/04/36/92/431043692.db2.gz DJNQCULZLKWNOG-VXGBXAGGSA-N 2 0 314.367 2.743 20 0 DFADRP Cc1ccc(NC(=O)C[N@H+]2CCC[C@@H](C)[C@H]2CCC[NH3+])cc1 ZINC000662313676 431044128 /nfs/dbraw/zinc/04/41/28/431044128.db2.gz VRUIROHZVYLZBN-NVXWUHKLSA-N 2 0 303.450 2.773 20 0 DFADRP C[NH+](C)CCC[C@H]1C[N@H+](C[C@@H]2CCCCC2(F)F)CCO1 ZINC000662325750 431048155 /nfs/dbraw/zinc/04/81/55/431048155.db2.gz JKIXERGVCCFAEB-GJZGRUSLSA-N 2 0 304.425 2.855 20 0 DFADRP CC(C)C[C@H](C[NH3+])CC(=O)NC[C@@H](c1cccc(F)c1)[NH+](C)C ZINC000662348632 431055739 /nfs/dbraw/zinc/05/57/39/431055739.db2.gz WQYGYAWDMBSTPG-YOEHRIQHSA-N 2 0 323.456 2.556 20 0 DFADRP CC[NH+](CC)[C@H](CNC(=O)[C@H]1CCC[C@@H]1C[NH3+])c1ccsc1 ZINC000649292672 431057760 /nfs/dbraw/zinc/05/77/60/431057760.db2.gz YHZLOAORWGFAJJ-VNQPRFMTSA-N 2 0 323.506 2.622 20 0 DFADRP CC(C)[NH+]1CCC(N(C)C(=O)[C@@H]([NH3+])c2cccc(Cl)c2)CC1 ZINC000649285403 431058346 /nfs/dbraw/zinc/05/83/46/431058346.db2.gz XLMFNQNSILVISP-INIZCTEOSA-N 2 0 323.868 2.671 20 0 DFADRP C[C@@H]1CCC[N@H+](Cc2ccc(NC(=O)[C@H]3C[C@@H]([NH3+])C3)cc2)C1 ZINC000649288294 431058573 /nfs/dbraw/zinc/05/85/73/431058573.db2.gz IZTORSVTYXIMIN-BMFZPTHFSA-N 2 0 301.434 2.594 20 0 DFADRP CC(C)[C@H]([NH3+])CC(=O)NCc1cccc(C[N@H+](C)C(C)C)c1 ZINC000649306892 431062409 /nfs/dbraw/zinc/06/24/09/431062409.db2.gz XHAQSLVLQILGOO-QGZVFWFLSA-N 2 0 305.466 2.516 20 0 DFADRP [NH3+]C[C@H]1CCC[C@@H]1C(=O)Nc1ccc(CC[NH+]2CCCC2)cc1 ZINC000649305776 431062619 /nfs/dbraw/zinc/06/26/19/431062619.db2.gz ADOAMZJNISAUQZ-AEFFLSMTSA-N 2 0 315.461 2.638 20 0 DFADRP [NH3+]CCCOC1CC[NH+](CCc2nsc3ccccc32)CC1 ZINC000662248146 431013492 /nfs/dbraw/zinc/01/34/92/431013492.db2.gz VDENDWZWAFUHJV-UHFFFAOYSA-N 2 0 319.474 2.669 20 0 DFADRP C[C@@H](CNC(=O)C[C@@H]1[NH2+]Cc2ccccc21)[N@@H+]1CCCC[C@H]1C ZINC000659291475 431013704 /nfs/dbraw/zinc/01/37/04/431013704.db2.gz GUEXDCUJDVMHGN-VKJFTORMSA-N 2 0 315.461 2.600 20 0 DFADRP C[C@@H]([NH3+])C1CC[NH+](CCc2ccc3c(c2)OC(F)(F)O3)CC1 ZINC000662246704 431013898 /nfs/dbraw/zinc/01/38/98/431013898.db2.gz QHYMADJFKZONAP-LLVKDONJSA-N 2 0 312.360 2.610 20 0 DFADRP CCC[N@H+](C[C@@H]1CCC2(C[NH2+]C2)O1)[C@H]1CCc2ccccc21 ZINC000662252263 431016686 /nfs/dbraw/zinc/01/66/86/431016686.db2.gz NFVSEMOGRPQWBL-WMZOPIPTSA-N 2 0 300.446 2.907 20 0 DFADRP CC[C@H](Cc1ccc(C)cc1)[N@H+](C)C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662258316 431017826 /nfs/dbraw/zinc/01/78/26/431017826.db2.gz VSPYBNCKZHGAOQ-MSOLQXFVSA-N 2 0 302.462 2.769 20 0 DFADRP Cc1cccc(C2([NH2+]C[C@H]3CCC4(C[NH2+]C4)O3)CCCC2)c1 ZINC000662258597 431019038 /nfs/dbraw/zinc/01/90/38/431019038.db2.gz KVFBESMWEXAABN-QGZVFWFLSA-N 2 0 300.446 2.875 20 0 DFADRP Clc1cccc2c1C[C@@H]([NH2+]CCCC[NH+]1CCOCC1)CC2 ZINC000666082830 431109986 /nfs/dbraw/zinc/10/99/86/431109986.db2.gz HDWPNZGEBBEAIO-INIZCTEOSA-N 2 0 322.880 2.899 20 0 DFADRP C[C@@H]1CC[C@@H]([NH2+]Cc2ccccc2C[N@@H+]2CC[C@@H](O)C2)CS1 ZINC000655750987 431112491 /nfs/dbraw/zinc/11/24/91/431112491.db2.gz ILEPVSCJTNOKLH-ZTFGCOKTSA-N 2 0 320.502 2.627 20 0 DFADRP CC[C@@H]([NH2+]C)C(=O)NC[C@H](c1ccccc1)[NH+]1CCC(C)CC1 ZINC000662401656 431072141 /nfs/dbraw/zinc/07/21/41/431072141.db2.gz ZBVWTPGQXXRHNY-QZTJIDSGSA-N 2 0 317.477 2.574 20 0 DFADRP CC(C)C[C@H](C[NH3+])CC(=O)NCC(C)(C)[N@@H+]1CCC[C@H](C)C1 ZINC000662402450 431074129 /nfs/dbraw/zinc/07/41/29/431074129.db2.gz KGGOATLUQBTRAV-HOTGVXAUSA-N 2 0 311.514 2.624 20 0 DFADRP C[C@@H]1CCCC[N@@H+]1CCC1CCN(C(=O)[C@H]2CC[C@H]([NH3+])C2)CC1 ZINC000649378332 431082764 /nfs/dbraw/zinc/08/27/64/431082764.db2.gz YHWZNJLOHNNTLQ-NJAFHUGGSA-N 2 0 321.509 2.617 20 0 DFADRP CCN(C[C@@H]1CC[NH2+]C1)[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000649411854 431093679 /nfs/dbraw/zinc/09/36/79/431093679.db2.gz JYBXDDNGRYZOPN-LMMKCTJWSA-N 2 0 301.478 2.753 20 0 DFADRP Fc1ccc(C[N@H+](CCc2ccccn2)C[C@@H]2CC[NH2+]C2)cc1 ZINC000649412105 431094117 /nfs/dbraw/zinc/09/41/17/431094117.db2.gz KYRHLYAVWXTXFT-QGZVFWFLSA-N 2 0 313.420 2.875 20 0 DFADRP C(C[NH+]1CCC(C[NH+]2CCCCCC2)CC1)[C@@H]1CCC[NH2+]C1 ZINC000649411632 431094638 /nfs/dbraw/zinc/09/46/38/431094638.db2.gz MKMBOUSCJCWRST-SFHVURJKSA-N 3 0 307.526 2.964 20 0 DFADRP COc1cc(Cl)ccc1C[NH2+]C1CCN([C@H]2CCOC2)CC1 ZINC000655711448 431095063 /nfs/dbraw/zinc/09/50/63/431095063.db2.gz JSEBJFKEDQIKLT-INIZCTEOSA-N 2 0 324.852 2.692 20 0 DFADRP CC(C)[NH+](CCCNC(=O)c1cccc2c1C[NH2+]C2)C(C)C ZINC000662484396 431095941 /nfs/dbraw/zinc/09/59/41/431095941.db2.gz AKZXPKGNUQCWTG-UHFFFAOYSA-N 2 0 303.450 2.529 20 0 DFADRP CCN(C(=O)C[NH2+]C(C)C)[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000662503819 431098753 /nfs/dbraw/zinc/09/87/53/431098753.db2.gz XWWBWKUZLATXOL-FUHWJXTLSA-N 2 0 317.477 2.668 20 0 DFADRP C[C@@H]([NH3+])c1ccc(C(=O)NC[C@H]2CC[N@@H+](C(C)(C)C)C2)cc1 ZINC000662592710 431126086 /nfs/dbraw/zinc/12/60/86/431126086.db2.gz JQDDROOEVZWUGL-ZIAGYGMSSA-N 2 0 303.450 2.557 20 0 DFADRP CC(C)C[C@H](C[NH3+])CC(=O)N1CCC[C@H]([NH+]2[C@H](C)CC[C@H]2C)C1 ZINC000662526542 431106926 /nfs/dbraw/zinc/10/69/26/431106926.db2.gz GYKSHIFDTOROKI-BDXSIMOUSA-N 2 0 323.525 2.861 20 0 DFADRP C[N@H+](CCCNC(=O)c1cccc2c1C[NH2+]C2)C1CCCCC1 ZINC000662526184 431107440 /nfs/dbraw/zinc/10/74/40/431107440.db2.gz UJKAZIOBMVAEGY-UHFFFAOYSA-N 2 0 315.461 2.674 20 0 DFADRP CC[N@H+](C)[C@@H](C(=O)NCCC1CC[NH+](C)CC1)c1ccccc1 ZINC000103193300 279042733 /nfs/dbraw/zinc/04/27/33/279042733.db2.gz GEFRGBFSUHIMMZ-GOSISDBHSA-N 2 0 317.477 2.528 20 0 DFADRP CC(C)C[C@H](CNC(=O)C[C@H](C)[NH3+])[NH2+][C@@H](C)c1ccccc1 ZINC000645964432 431131287 /nfs/dbraw/zinc/13/12/87/431131287.db2.gz QPPKMPKWGBKFSV-YQQAZPJKSA-N 2 0 305.466 2.605 20 0 DFADRP CC[NH+](CC)[C@@H](CNC(=O)CCC[NH3+])c1ccccc1Cl ZINC000236821254 279145845 /nfs/dbraw/zinc/14/58/45/279145845.db2.gz UWYQZIGDIUWTPT-HNNXBMFYSA-N 2 0 311.857 2.578 20 0 DFADRP CC[NH+](CC)[C@H](C(=O)N(C)CC[N@H+](C)C1CC1)c1ccccc1 ZINC000186780986 279152554 /nfs/dbraw/zinc/15/25/54/279152554.db2.gz ZLUBYXSVKHNLLO-SFHVURJKSA-N 2 0 317.477 2.622 20 0 DFADRP C[C@@]1(C[N@@H+]2CCC[C@H](c3cc(C(F)(F)F)n[nH]3)C2)CC[NH2+]C1 ZINC000261964158 279159439 /nfs/dbraw/zinc/15/94/39/279159439.db2.gz HOOLKLQDQGQYHS-SMDDNHRTSA-N 2 0 316.371 2.608 20 0 DFADRP CCN(CCC[NH+]1CCCC1)C(=O)CC[C@@H]1CCCC[N@@H+]1C ZINC000357116434 279180192 /nfs/dbraw/zinc/18/01/92/279180192.db2.gz FURKKFICWXBQPQ-KRWDZBQOSA-N 2 0 309.498 2.585 20 0 DFADRP CCN(CC[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@H]21)CCC(F)(F)F ZINC000353608011 279206959 /nfs/dbraw/zinc/20/69/59/279206959.db2.gz QUOHMZNVIKGBBM-ZNMIVQPWSA-N 2 0 321.431 2.723 20 0 DFADRP CO[C@@H](C[NH+]1CCC(C[NH+]2CCCCCC2)CC1)[C@H]1CCOC1 ZINC000659839890 431139870 /nfs/dbraw/zinc/13/98/70/431139870.db2.gz ZPKBQBHWRBSGKU-OALUTQOASA-N 2 0 324.509 2.626 20 0 DFADRP C[C@H](C[NH2+][C@@H]1CC(C)(C)c2ccccc21)N1CC[NH+](C)CC1 ZINC000178773890 279348635 /nfs/dbraw/zinc/34/86/35/279348635.db2.gz VSKNORCMJROXSE-CRAIPNDOSA-N 2 0 301.478 2.635 20 0 DFADRP CCn1cc[nH+]c1NCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000666240236 431163679 /nfs/dbraw/zinc/16/36/79/431163679.db2.gz QFGMKCNQHVTNBK-UHFFFAOYSA-N 2 0 314.433 2.990 20 0 DFADRP C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)[C@@H]1CCCCCC[C@H]1[NH3+] ZINC000662692860 431163947 /nfs/dbraw/zinc/16/39/47/431163947.db2.gz GZJLAMVBXUJMFG-GVDBMIGSSA-N 2 0 309.498 2.521 20 0 DFADRP C[C@@H]1C[C@@H](C)C[NH+](CCN2CCC[C@@H]2C[NH+]2CCCCC2)C1 ZINC000659873226 431164408 /nfs/dbraw/zinc/16/44/08/431164408.db2.gz MHYONMRQTFBFNU-GUDVDZBRSA-N 2 0 307.526 2.915 20 0 DFADRP C[N@@H+](Cc1ccccc1)CC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000659874978 431165319 /nfs/dbraw/zinc/16/53/19/431165319.db2.gz VAJNNDVBRUYMPO-RTBURBONSA-N 2 0 302.462 2.744 20 0 DFADRP C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)CC[C@@H]([NH3+])c1ccccc1 ZINC000662691804 431166083 /nfs/dbraw/zinc/16/60/83/431166083.db2.gz AUUYOFHUHWOXHI-FUHWJXTLSA-N 2 0 317.477 2.703 20 0 DFADRP COCC1(C[NH2+][C@@H](C)c2cccc(OCC[NH+](C)C)c2)CC1 ZINC000655817471 431166500 /nfs/dbraw/zinc/16/65/00/431166500.db2.gz LFMXFHOJTLBEGA-HNNXBMFYSA-N 2 0 306.450 2.704 20 0 DFADRP C[NH+](C)[C@H]1C[C@@H](C[NH2+]Cc2cnc(-c3ccccn3)s2)C1 ZINC000655827044 431170321 /nfs/dbraw/zinc/17/03/21/431170321.db2.gz OMZYMASBCCNYAZ-BETUJISGSA-N 2 0 302.447 2.635 20 0 DFADRP C[C@H]([NH2+][C@@H]1CCN(c2ccc(F)cc2)C1)C1CC[NH+](C)CC1 ZINC000666269219 431170667 /nfs/dbraw/zinc/17/06/67/431170667.db2.gz JJEBWHLGNAIHCJ-WMLDXEAASA-N 2 0 305.441 2.724 20 0 DFADRP C[NH+](C)[C@H]1C[C@@H](C[NH2+]Cc2c(C3CC3)nc3sccn23)C1 ZINC000655827305 431171660 /nfs/dbraw/zinc/17/16/60/431171660.db2.gz QXLLMSWAVXLANR-BJHJDKERSA-N 2 0 304.463 2.703 20 0 DFADRP Cc1nn(-c2ccccc2F)cc1C[NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000655824583 431172100 /nfs/dbraw/zinc/17/21/00/431172100.db2.gz MYCSYEZMDYTQBM-FZNQNYSPSA-N 2 0 316.424 2.750 20 0 DFADRP COc1ccc(OC(F)F)c(C[NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)c1 ZINC000655827543 431173306 /nfs/dbraw/zinc/17/33/06/431173306.db2.gz TVTLKYHTDFPFLA-BJHJDKERSA-N 2 0 314.376 2.726 20 0 DFADRP CC(C)[C@H]([NH3+])CCNC(=O)[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000662729579 431177954 /nfs/dbraw/zinc/17/79/54/431177954.db2.gz MJLWINKNZAYXRD-QZTJIDSGSA-N 2 0 317.477 2.531 20 0 DFADRP C[N@@H+]1CCCC[C@@H]1CN1CC[NH+](C[C@@H]2CC[C@H]3C[C@H]3C2)CC1 ZINC000659911257 431183395 /nfs/dbraw/zinc/18/33/95/431183395.db2.gz WNCMSWGKTGQKNN-FCGDIQPGSA-N 2 0 305.510 2.525 20 0 DFADRP Cc1ccc(CCC[N@@H+]2CCOC3(CC[NH+](C)CC3)C2)cc1 ZINC000646105930 431189023 /nfs/dbraw/zinc/18/90/23/431189023.db2.gz MKMAAZFGXWZINT-UHFFFAOYSA-N 2 0 302.462 2.724 20 0 DFADRP [NH3+]C[C@H](NC(=O)C1([NH2+]C2CC2)CCC1)c1ccc2ccccc2c1 ZINC000662774527 431189811 /nfs/dbraw/zinc/18/98/11/431189811.db2.gz NBPFBPYPEZSXBJ-SFHVURJKSA-N 2 0 323.440 2.631 20 0 DFADRP C[C@@H]1CC[C@@H](C)[NH+]1[C@@H]1CCCN(C(=O)C2([NH2+]C3CC3)CCC2)C1 ZINC000662787753 431194449 /nfs/dbraw/zinc/19/44/49/431194449.db2.gz FEDUDCWHWWKHCM-BFYDXBDKSA-N 2 0 319.493 2.525 20 0 DFADRP CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C[C@@H]1CCC[NH+]1C ZINC000649545431 431152682 /nfs/dbraw/zinc/15/26/82/431152682.db2.gz FAEJTDZOVCYNBO-MOPGFXCFSA-N 2 0 301.478 2.535 20 0 DFADRP Cc1nn(C)c2sc([C@H](C)[NH2+]C[C@H]3C[C@@H]([NH+](C)C)C3)cc12 ZINC000655803954 431153255 /nfs/dbraw/zinc/15/32/55/431153255.db2.gz JVLWDLXNBXAXQR-RWMBFGLXSA-N 2 0 306.479 2.934 20 0 DFADRP CC[NH+](CC)[C@@H](CNC(=O)CC1([NH3+])CC1)c1ccccc1Cl ZINC000662664213 431153373 /nfs/dbraw/zinc/15/33/73/431153373.db2.gz ULZSELQIGMOYAP-HNNXBMFYSA-N 2 0 323.868 2.721 20 0 DFADRP COc1ccc2c(c1)CCC[C@@H]2N(C)C[C@H](O)C[N@H+](C)C(C)C ZINC000659858458 431153746 /nfs/dbraw/zinc/15/37/46/431153746.db2.gz DNWALDRGAZIRGI-APWZRJJASA-N 2 0 320.477 2.706 20 0 DFADRP C[C@H](CC(=O)N[C@@H]1CC[N@@H+](C2CCCCC2)C1)[C@@H]1CCC[NH2+]C1 ZINC000662667881 431157910 /nfs/dbraw/zinc/15/79/10/431157910.db2.gz DXWDNGLZWIAOPF-BRWVUGGUSA-N 2 0 321.509 2.535 20 0 DFADRP C[C@H](CC(=O)N[C@H]1CC[N@@H+](C2CCCCC2)C1)[C@@H]1CCC[NH2+]C1 ZINC000662667893 431157968 /nfs/dbraw/zinc/15/79/68/431157968.db2.gz DXWDNGLZWIAOPF-ZACQAIPSSA-N 2 0 321.509 2.535 20 0 DFADRP [NH3+]CCC[C@H](NC(=O)c1cccc2c1CC[NH2+]C2)c1ccccc1 ZINC000662815191 431203193 /nfs/dbraw/zinc/20/31/93/431203193.db2.gz NTKNTJANICQIOF-IBGZPJMESA-N 2 0 323.440 2.542 20 0 DFADRP CC[N@H+](CCCNC(=O)[C@H]1[NH2+]CCC1(C)C)C1CCCCC1 ZINC000662829867 431208109 /nfs/dbraw/zinc/20/81/09/431208109.db2.gz XIAVYXGTUADNFL-MRXNPFEDSA-N 2 0 309.498 2.535 20 0 DFADRP CC[NH+](CC)[C@H](CNC(=O)[C@@H]1CCC[NH2+]CC1)c1ccccc1 ZINC000653043215 431239434 /nfs/dbraw/zinc/23/94/34/431239434.db2.gz HYUHCLLZRKHDIX-QZTJIDSGSA-N 2 0 317.477 2.575 20 0 DFADRP CC(C)[C@@H]([NH3+])CC(=O)Nc1cccc(CC[NH+]2CCCC2)c1 ZINC000646288532 431255551 /nfs/dbraw/zinc/25/55/51/431255551.db2.gz VMCHPQOGBXPGTK-KRWDZBQOSA-N 2 0 303.450 2.637 20 0 DFADRP C[C@@H]1C[C@H](C)C[N@@H+](CCN2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)C1 ZINC000660114693 431276711 /nfs/dbraw/zinc/27/67/11/431276711.db2.gz JURFNLGHVZQFOV-HLNWXESRSA-N 2 0 319.537 2.913 20 0 DFADRP Cc1cc(CN2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)nc(C)n1 ZINC000660116201 431276773 /nfs/dbraw/zinc/27/67/73/431276773.db2.gz WSHMHKCJXMSGGP-CRAIPNDOSA-N 2 0 300.450 2.542 20 0 DFADRP Cc1cc(C[NH+](C)C)cc(NC(=O)[C@H]2CC[C@@H](C3CC3)[NH2+]2)c1 ZINC000653152281 431285063 /nfs/dbraw/zinc/28/50/63/431285063.db2.gz HVRLLGYIRJASDK-DLBZAZTESA-N 2 0 301.434 2.526 20 0 DFADRP CC(C)[NH+]1CCN(C2CC[NH+](C[C@@H]3CC[C@H]4C[C@H]4C3)CC2)CC1 ZINC000660150885 431291010 /nfs/dbraw/zinc/29/10/10/431291010.db2.gz MSCGZPFSTXDNIW-CEXWTWQISA-N 2 0 319.537 2.913 20 0 DFADRP CC[C@H](CC(F)F)C[N@@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000660152593 431295861 /nfs/dbraw/zinc/29/58/61/431295861.db2.gz AUCKSFQVSBQQIR-ARFHVFGLSA-N 2 0 317.468 2.626 20 0 DFADRP CCC[NH2+][C@H](C)C(=O)N[C@H](C[NH+]1CCCCC1)c1ccccc1 ZINC000646408828 431300802 /nfs/dbraw/zinc/30/08/02/431300802.db2.gz LRFJNOFXLUASIA-SJLPKXTDSA-N 2 0 317.477 2.718 20 0 DFADRP [NH3+][C@@H]1CCC[C@@H]([NH2+]C[C@H]2CCN(c3ccc(F)c(F)c3)C2)C1 ZINC000656196031 431303051 /nfs/dbraw/zinc/30/30/51/431303051.db2.gz UHTKTSFOUAEFSB-MGPQQGTHSA-N 2 0 309.404 2.651 20 0 DFADRP CC[N@H+](CCCNC(=O)[C@@]1(CC)CCC[NH2+]1)C1CCCCC1 ZINC000653200870 431306128 /nfs/dbraw/zinc/30/61/28/431306128.db2.gz SFTRZPCEVBVSSM-GOSISDBHSA-N 2 0 309.498 2.680 20 0 DFADRP CC[N@H+](CCCNC(=O)[C@H]1CC[C@H](C2CC2)[NH2+]1)C1CCCCC1 ZINC000653200231 431306273 /nfs/dbraw/zinc/30/62/73/431306273.db2.gz ZQPNSWVSYGMMGL-QZTJIDSGSA-N 2 0 321.509 2.678 20 0 DFADRP CC[C@H]1[NH2+]CC[C@H]1C(=O)NCCC[N@H+](CC)C1CCCCC1 ZINC000653200622 431307010 /nfs/dbraw/zinc/30/70/10/431307010.db2.gz KSGPYSGMTRWLEO-IAGOWNOFSA-N 2 0 309.498 2.535 20 0 DFADRP CC[N@H+](CCCNC(=O)[C@@H]1CC[C@@H](C2CC2)[NH2+]1)C1CCCCC1 ZINC000653200232 431307595 /nfs/dbraw/zinc/30/75/95/431307595.db2.gz ZQPNSWVSYGMMGL-ROUUACIJSA-N 2 0 321.509 2.678 20 0 DFADRP C[N@@H+]1CCC[C@@H](N2CC[NH+](C[C@H]3CCCCC3(C)C)CC2)C1 ZINC000660074804 431260200 /nfs/dbraw/zinc/26/02/00/431260200.db2.gz QMAFGRSGJCZGEQ-QZTJIDSGSA-N 2 0 307.526 2.915 20 0 DFADRP CCOCCC[N@@H+]1CC[C@@H](NCc2cc(C3CC3)no2)[C@H](C)C1 ZINC000660304034 431369751 /nfs/dbraw/zinc/36/97/51/431369751.db2.gz BSACWCVVHPVIRE-RHSMWYFYSA-N 2 0 321.465 2.779 20 0 DFADRP CC(C)[C@H](Cc1ccc(F)cc1)[NH2+]C[C@@H](O)C[N@H+](C)C(C)C ZINC000660213577 431323621 /nfs/dbraw/zinc/32/36/21/431323621.db2.gz SROZNCITDOVIDS-MSOLQXFVSA-N 2 0 310.457 2.684 20 0 DFADRP C[C@@H](CC(=O)Nc1cccc(Cl)c1)NC[C@H]1CCCC[NH2+]1 ZINC000666770164 431352047 /nfs/dbraw/zinc/35/20/47/431352047.db2.gz NWKVIJTWKIFGKA-SWLSCSKDSA-N 2 0 309.841 2.789 20 0 DFADRP c1cc(N2CCC([NH2+][C@H]3CCCN4CCCC[C@H]34)CC2)cc[nH+]1 ZINC000656278448 431353400 /nfs/dbraw/zinc/35/34/00/431353400.db2.gz REKGKERIFOQDIT-RBUKOAKNSA-N 2 0 314.477 2.657 20 0 DFADRP COc1ccc2c(c1)OCC[C@@H]2NC1CC[NH+](C2CC2)CC1 ZINC000656503301 431413375 /nfs/dbraw/zinc/41/33/75/431413375.db2.gz WEAKRXIACQLRSQ-KRWDZBQOSA-N 2 0 302.418 2.735 20 0 DFADRP c1nn(-c2cc[nH+]cc2)cc1NC1CCN(c2cc[nH+]cc2)CC1 ZINC000656527199 431417804 /nfs/dbraw/zinc/41/78/04/431417804.db2.gz LZRRPNPCFAFRIR-UHFFFAOYSA-N 2 0 320.400 2.743 20 0 DFADRP Fc1cc(Br)ccc1C[NH2+][C@H]1CC12CC[NH2+]CC2 ZINC000666952117 431423039 /nfs/dbraw/zinc/42/30/39/431423039.db2.gz GNAXEYDDTBPHAQ-ZDUSSCGKSA-N 2 0 313.214 2.820 20 0 DFADRP Brc1ccc(C[NH2+][C@@H]2CC23CC[NH2+]CC3)s1 ZINC000666952525 431423217 /nfs/dbraw/zinc/42/32/17/431423217.db2.gz ZQCVAFDGBUYKDD-SNVBAGLBSA-N 2 0 301.253 2.742 20 0 DFADRP CC(C)C[N@@H+]1CC[C@@H](C[NH2+]CCC(=O)N(C)c2ccccc2)C1 ZINC000663360493 431384778 /nfs/dbraw/zinc/38/47/78/431384778.db2.gz POKZEDVTKLARIC-KRWDZBQOSA-N 2 0 317.477 2.607 20 0 DFADRP CCO[C@@H](CC[NH+](C)C)C[NH2+][C@H](C)c1nc2ccccc2n1C ZINC000091369116 279761853 /nfs/dbraw/zinc/76/18/53/279761853.db2.gz IXAGRPVEMCCDRW-CABCVRRESA-N 2 0 318.465 2.581 20 0 DFADRP C[N@@H+]1CCC[C@H](N2CC[NH+](CC3CCC(F)(F)CC3)CC2)C1 ZINC000656469273 431396678 /nfs/dbraw/zinc/39/66/78/431396678.db2.gz RTKSPRIVSFPNOZ-INIZCTEOSA-N 2 0 315.452 2.524 20 0 DFADRP C[NH+](C)Cc1ccc(-c2noc([C@@H]3C[C@]34CCC[NH2+]C4)n2)cc1 ZINC000653490546 431400686 /nfs/dbraw/zinc/40/06/86/431400686.db2.gz MUOVMTUQCHHFMZ-YJBOKZPZSA-N 2 0 312.417 2.655 20 0 DFADRP COc1c[nH+]ccc1N1CC[NH+](C[C@@H]2CC[C@@H]3C[C@@H]3C2)CC1 ZINC000660452922 431437252 /nfs/dbraw/zinc/43/72/52/431437252.db2.gz DMBLOBJLQFXLOP-OAGGEKHMSA-N 2 0 301.434 2.648 20 0 DFADRP C[C@H](CC(=O)Nc1ccc(F)cc1)[NH2+][C@@H]1CC[NH2+]C2(CCC2)C1 ZINC000666995291 431437294 /nfs/dbraw/zinc/43/72/94/431437294.db2.gz JSNNAZPBOIPUSG-CZUORRHYSA-N 2 0 319.424 2.807 20 0 DFADRP C[C@@H](CC(=O)Nc1cccc(F)c1)[NH2+][C@@H]1CC[NH2+]C2(CCC2)C1 ZINC000666995342 431437429 /nfs/dbraw/zinc/43/74/29/431437429.db2.gz KJQQWQYSQHMKQZ-XJKSGUPXSA-N 2 0 319.424 2.807 20 0 DFADRP CC[C@@H](CC(F)F)C[NH+]1CCN(c2cc[nH+]cc2OC)CC1 ZINC000660453803 431437827 /nfs/dbraw/zinc/43/78/27/431437827.db2.gz RLMLCTRJOHCSJW-ZDUSSCGKSA-N 2 0 313.392 2.894 20 0 DFADRP COc1ccc(C[C@H](C)[NH2+][C@H]2CC[NH2+]C3(CCC3)C2)cc1OC ZINC000666995242 431438953 /nfs/dbraw/zinc/43/89/53/431438953.db2.gz HMHWJCLTWGJOLF-HOCLYGCPSA-N 2 0 318.461 2.899 20 0 DFADRP C[C@@H]1C[NH2+]CC[C@@H]1CN1CC[NH2+]C[C@@H]1c1cccc(Cl)c1 ZINC000663493817 431443620 /nfs/dbraw/zinc/44/36/20/431443620.db2.gz KKPXUWQKYQVNFI-FRFSOERESA-N 2 0 307.869 2.532 20 0 DFADRP CCCC[C@H]1CCC[C@H]1[NH2+]C1CCN(C(=O)CCC[NH2+]C)CC1 ZINC000663506060 431448131 /nfs/dbraw/zinc/44/81/31/431448131.db2.gz OWJFORGECQCIKA-FUHWJXTLSA-N 2 0 323.525 2.926 20 0 DFADRP c1ccc([C@@H]2C[C@@H]2[N@@H+]2CCC[C@@H](N3CCOCC3)CC2)cc1 ZINC000660476558 431448791 /nfs/dbraw/zinc/44/87/91/431448791.db2.gz ZQGPUNIGQAZHIP-QYZOEREBSA-N 2 0 300.446 2.729 20 0 DFADRP CC(C)[C@H]([NH3+])CC[NH2+]Cc1cnn(Cc2ccc(F)cc2)c1 ZINC000663503763 431449697 /nfs/dbraw/zinc/44/96/97/431449697.db2.gz QQPSFMXQGAMRHP-QGZVFWFLSA-N 2 0 304.413 2.534 20 0 DFADRP Fc1cccc(CC[N@@H+]2CCC[C@H](N3CCOCC3)CC2)c1F ZINC000660478281 431449774 /nfs/dbraw/zinc/44/97/74/431449774.db2.gz LIJIJHGYDUQVHH-INIZCTEOSA-N 2 0 324.415 2.694 20 0 DFADRP CC[N@H+](C)C[C@H](O)CN[C@H](c1ccc(F)cc1F)C(C)C ZINC000653607317 431455816 /nfs/dbraw/zinc/45/58/16/431455816.db2.gz ZHLACEQYKLBQPK-CJNGLKHVSA-N 2 0 300.393 2.564 20 0 DFADRP CC(C)[C@@H](Cn1cccn1)[NH2+]C[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000663466565 431431773 /nfs/dbraw/zinc/43/17/73/431431773.db2.gz VOGKQFWNUUDEIT-QZTJIDSGSA-N 2 0 304.482 2.619 20 0 DFADRP C(NC1CC[NH+](CC2CC2)CC1)[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000663471826 431436341 /nfs/dbraw/zinc/43/63/41/431436341.db2.gz YOALCIJXCCKDLC-SFHVURJKSA-N 2 0 305.510 2.572 20 0 DFADRP CC(=O)Nc1ccc(C[NH+]2CCC([C@H]3CCC[NH2+]C3)CC2)cc1 ZINC000656783810 431520151 /nfs/dbraw/zinc/52/01/51/431520151.db2.gz ACNQNPLDCVRQLR-SFHVURJKSA-N 2 0 315.461 2.857 20 0 DFADRP Cn1c2ccccc2nc1C[N@@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000656786514 431522360 /nfs/dbraw/zinc/52/23/60/431522360.db2.gz TZNJHQMTONUGAB-INIZCTEOSA-N 2 0 312.461 2.785 20 0 DFADRP Clc1ccccc1N1CC[C@H](C[NH2+][C@@H]2CCC[NH2+]CC2)C1 ZINC000656787358 431522422 /nfs/dbraw/zinc/52/24/22/431522422.db2.gz IHNHBJWZHGZDKN-HUUCEWRRSA-N 2 0 307.869 2.898 20 0 DFADRP CCOc1ccc(C[N@@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)nc1 ZINC000656786293 431523651 /nfs/dbraw/zinc/52/36/51/431523651.db2.gz RYQIXTNUDAKINT-MRXNPFEDSA-N 2 0 303.450 2.692 20 0 DFADRP CC[N@H+](C)C[C@H](O)CN1CCc2ccc(Cl)cc2[C@H](C)C1 ZINC000653779007 431523899 /nfs/dbraw/zinc/52/38/99/431523899.db2.gz VUIYUQXGVMBUBQ-CJNGLKHVSA-N 2 0 310.869 2.614 20 0 DFADRP CC(C)[N@H+](C)C[C@H](O)C[NH+](C)[C@H]1CC[C@@H](C(F)(F)F)CC1 ZINC000660562749 431493701 /nfs/dbraw/zinc/49/37/01/431493701.db2.gz NTPDVMAJKPNCFE-MJBXVCDLSA-N 2 0 310.404 2.740 20 0 DFADRP C[C@H]1CN(c2cccc(Cl)c2)CC[N@@H+]1CCn1ccnc1 ZINC000653704461 431496521 /nfs/dbraw/zinc/49/65/21/431496521.db2.gz RWCRVJDLPVIWOF-AWEZNQCLSA-N 2 0 304.825 2.747 20 0 DFADRP COc1ncncc1C[NH2+]C1CCC([NH+]2CCC(C)CC2)CC1 ZINC000647196172 431505320 /nfs/dbraw/zinc/50/53/20/431505320.db2.gz RENFZUIHLPFXSS-UHFFFAOYSA-N 2 0 318.465 2.618 20 0 DFADRP C[N@@H+]1C[C@@H](C[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C2(C)C)[C@H](c2ccccc2)C1 ZINC000647344236 431557913 /nfs/dbraw/zinc/55/79/13/431557913.db2.gz MHFOWKJLGKPQSH-SPOLIRPYSA-N 2 0 314.473 2.735 20 0 DFADRP COC[C@H](CC(C)C)[NH2+]C[C@@H]1C[N@H+](C)C[C@H]1c1ccccc1 ZINC000647344529 431559646 /nfs/dbraw/zinc/55/96/46/431559646.db2.gz SUMZIHITCDCHJC-QYZOEREBSA-N 2 0 304.478 2.983 20 0 DFADRP CC(C)O[C@H]1C[C@@H]([NH2+]Cc2ccc(OCC[NH+](C)C)cc2)C1 ZINC000656865960 431554690 /nfs/dbraw/zinc/55/46/90/431554690.db2.gz JJJFVAVNVUNROM-MAEOIBBWSA-N 2 0 306.450 2.673 20 0 DFADRP CC(C)n1cc(C2=CCC[N@H+](CC[C@@H]3CCC[NH+]3C)CC2)nn1 ZINC000660716830 431564769 /nfs/dbraw/zinc/56/47/69/431564769.db2.gz AZECIARSGLOHAM-KRWDZBQOSA-N 2 0 317.481 2.823 20 0 DFADRP COCCOc1ccc(C[N@@H+]2CCC[C@H]([C@H]3CCC[NH2+]3)C2)cc1 ZINC000647480202 431600952 /nfs/dbraw/zinc/60/09/52/431600952.db2.gz GSRGHAZNQSMKGG-PKOBYXMFSA-N 2 0 318.461 2.676 20 0 DFADRP COc1cc(C)c(C[N@H+](C2CC2)C2CC[NH2+]CC2)cc1OC ZINC000647482819 431602687 /nfs/dbraw/zinc/60/26/87/431602687.db2.gz BKTPXQUAORASSD-UHFFFAOYSA-N 2 0 304.434 2.729 20 0 DFADRP CCC[N@H+](Cc1ccc(C(=O)NC2CC2)cc1)C1CC[NH2+]CC1 ZINC000647484394 431603407 /nfs/dbraw/zinc/60/34/07/431603407.db2.gz ACQBECYUESCHAH-UHFFFAOYSA-N 2 0 315.461 2.543 20 0 DFADRP CC[NH+]1CCC([NH2+]Cc2ccc(O[C@H](C)COC)cc2)CC1 ZINC000657291963 431651555 /nfs/dbraw/zinc/65/15/55/431651555.db2.gz BBJDTDNYHRPHGL-OAHLLOKOSA-N 2 0 306.450 2.674 20 0 DFADRP CCOc1ccccc1C[N@@H+]1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1 ZINC000650705346 431652897 /nfs/dbraw/zinc/65/28/97/431652897.db2.gz FAMTZQJDZUXREV-YQVWRLOYSA-N 2 0 318.461 2.804 20 0 DFADRP COc1ccc(C2CC[NH+](C[C@H]3CC[NH2+][C@@H](C)C3)CC2)nc1 ZINC000650704385 431653146 /nfs/dbraw/zinc/65/31/46/431653146.db2.gz WHZQIZBCQUDQLJ-GJZGRUSLSA-N 2 0 303.450 2.658 20 0 DFADRP Cc1ccc(CCC[N@@H+]2CCC[C@H]([C@@H]3C[C@@H]([NH3+])CCO3)C2)cn1 ZINC000650708315 431653393 /nfs/dbraw/zinc/65/33/93/431653393.db2.gz XRQCJUBZBFCIGS-FHWLQOOXSA-N 2 0 317.477 2.541 20 0 DFADRP CC(C)c1nc(C[N@@H+]2CCC[C@H]([C@H]3C[C@H]([NH3+])CCO3)C2)cs1 ZINC000650706577 431653475 /nfs/dbraw/zinc/65/34/75/431653475.db2.gz NPSPGDQCNXJTRW-SQWLQELKSA-N 2 0 323.506 2.985 20 0 DFADRP [NH3+][C@H]1CCCO[C@@H]1C1CC[NH+](Cc2cccc3c2CCC3)CC1 ZINC000650704358 431653729 /nfs/dbraw/zinc/65/37/29/431653729.db2.gz VDZQECZEQAOTRX-VQTJNVASSA-N 2 0 314.473 2.894 20 0 DFADRP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCC[N@H+](Cc3cccc(F)c3F)C2)C1 ZINC000650706109 431653903 /nfs/dbraw/zinc/65/39/03/431653903.db2.gz DIBIOVQFJKWPRW-XPKDYRNWSA-N 2 0 310.388 2.683 20 0 DFADRP CCCOc1ccc(C[NH2+]CCCN2CC[NH+](C)CC2)c(C)c1 ZINC000657296484 431655060 /nfs/dbraw/zinc/65/50/60/431655060.db2.gz VVPJVFDAPNPJDH-UHFFFAOYSA-N 2 0 319.493 2.511 20 0 DFADRP CCc1ccc(C[N@@H+]2CCC[C@H]([C@H]3C[C@@H]([NH3+])CCO3)C2)cc1 ZINC000650705586 431655027 /nfs/dbraw/zinc/65/50/27/431655027.db2.gz MMLWBKHQFRTXKD-GBESFXJTSA-N 2 0 302.462 2.967 20 0 DFADRP c1c(CNCc2ccc(C[NH+]3CCCC3)cc2)nn2c1CCC2 ZINC000657297375 431655777 /nfs/dbraw/zinc/65/57/77/431655777.db2.gz MRWLMUXCTCMDDA-UHFFFAOYSA-N 2 0 310.445 2.715 20 0 DFADRP COCCOc1cccc(C[N@@H+]2CCC[C@@H](C)[C@H]2CC[NH3+])c1 ZINC000650710877 431656090 /nfs/dbraw/zinc/65/60/90/431656090.db2.gz BLTTWCBVEFMPBR-CRAIPNDOSA-N 2 0 306.450 2.661 20 0 DFADRP Cc1nn(-c2ccccc2)cc1C[N@@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000650708625 431656164 /nfs/dbraw/zinc/65/61/64/431656164.db2.gz HXUNCUJIHCWJTR-HKUYNNGSSA-N 2 0 310.445 2.742 20 0 DFADRP COCCOc1ccc(C[N@@H+]2CCC[C@@H](C)[C@H]2CC[NH3+])cc1 ZINC000650711238 431657281 /nfs/dbraw/zinc/65/72/81/431657281.db2.gz MRVXWKVRPFPEKF-CRAIPNDOSA-N 2 0 306.450 2.661 20 0 DFADRP COc1ccc(C[NH2+]CCC2(C[NH3+])CC2)cc1OC(F)F ZINC000650711948 431658812 /nfs/dbraw/zinc/65/88/12/431658812.db2.gz KQFVXLBAPUPUQQ-UHFFFAOYSA-N 2 0 300.349 2.515 20 0 DFADRP COc1ccc(Br)c(C[NH2+]CCC2(C[NH3+])CC2)c1 ZINC000650712517 431660241 /nfs/dbraw/zinc/66/02/41/431660241.db2.gz HSVUCHRZBCMMAK-UHFFFAOYSA-N 2 0 313.239 2.676 20 0 DFADRP CC[C@H]1C[N@H+](Cc2ccc(C)cc2-c2cnn(C)c2)CC[C@H]1[NH3+] ZINC000647497750 431606693 /nfs/dbraw/zinc/60/66/93/431606693.db2.gz TWIRIQFQIJKDHD-HNAYVOBHSA-N 2 0 312.461 2.955 20 0 DFADRP CCOCc1cc(C[N@@H+]2CC[C@H]([NH3+])[C@@H](CC)C2)ccc1OC ZINC000647498882 431608538 /nfs/dbraw/zinc/60/85/38/431608538.db2.gz SNKWQRPYBVYXOF-RDJZCZTQSA-N 2 0 306.450 2.791 20 0 DFADRP CC[C@H]1C[N@H+](Cc2c[nH]nc2-c2cccc(OC)c2)CC[C@@H]1[NH3+] ZINC000647498534 431609482 /nfs/dbraw/zinc/60/94/82/431609482.db2.gz JTYFYWPEAHTBPX-GUYCJALGSA-N 2 0 314.433 2.645 20 0 DFADRP Cc1ccc(CCC[N@@H+](Cc2cccnc2)C[C@@H]2CC[NH2+]C2)cn1 ZINC000647520352 431614727 /nfs/dbraw/zinc/61/47/27/431614727.db2.gz INBJCEMNWUIANJ-HXUWFJFHSA-N 2 0 324.472 2.829 20 0 DFADRP Fc1ccccc1COC1CC[NH+](C[C@@H]2CCC[NH2+]C2)CC1 ZINC000647538495 431622354 /nfs/dbraw/zinc/62/23/54/431622354.db2.gz VDKVNSJVYWEFIY-OAHLLOKOSA-N 2 0 306.425 2.806 20 0 DFADRP CN(C)c1ccccc1C[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647543289 431623751 /nfs/dbraw/zinc/62/37/51/431623751.db2.gz KPOUWPKPFTVTSQ-DLBZAZTESA-N 2 0 301.478 2.964 20 0 DFADRP COc1cc(C)nc(C[N@@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)c1 ZINC000647542866 431623871 /nfs/dbraw/zinc/62/38/71/431623871.db2.gz DCDPQQBORFXGNT-HOTGVXAUSA-N 2 0 303.450 2.610 20 0 DFADRP c1ccc2c(c1)OCC[C@@H]2C[N@@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000647545710 431624351 /nfs/dbraw/zinc/62/43/51/431624351.db2.gz IOCITPNHYNKYEY-GVDBMIGSSA-N 2 0 300.446 2.874 20 0 DFADRP COc1c(O)cccc1C[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647543122 431624710 /nfs/dbraw/zinc/62/47/10/431624710.db2.gz HVNCLXWGSZIZCL-GJZGRUSLSA-N 2 0 304.434 2.612 20 0 DFADRP Cc1nn(C(C)C)cc1C[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647544351 431624934 /nfs/dbraw/zinc/62/49/34/431624934.db2.gz ZEXKGCFCAKFSBH-IRXDYDNUSA-N 2 0 304.482 2.984 20 0 DFADRP CN(C)c1ccccc1C[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647543291 431624950 /nfs/dbraw/zinc/62/49/50/431624950.db2.gz KPOUWPKPFTVTSQ-IRXDYDNUSA-N 2 0 301.478 2.964 20 0 DFADRP COc1cc(C)nc(C[N@@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)c1 ZINC000647542867 431625775 /nfs/dbraw/zinc/62/57/75/431625775.db2.gz DCDPQQBORFXGNT-HZPDHXFCSA-N 2 0 303.450 2.610 20 0 DFADRP Fc1cccn2cc(C[N@@H+]3CCC[C@@H]([C@H]4CCC[NH2+]C4)C3)nc12 ZINC000647543752 431626107 /nfs/dbraw/zinc/62/61/07/431626107.db2.gz RPKKHWNNXBSEJZ-LSDHHAIUSA-N 2 0 316.424 2.685 20 0 DFADRP COc1cccc(C[N@@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)c1OC ZINC000647543226 431626202 /nfs/dbraw/zinc/62/62/02/431626202.db2.gz JRWOYECSDBXAGS-HOTGVXAUSA-N 2 0 318.461 2.915 20 0 DFADRP c1ccc2c(c1)[nH+]ccc2N1CCC([N@@H+]2CCCOCC2)CC1 ZINC000664010111 431627340 /nfs/dbraw/zinc/62/73/40/431627340.db2.gz UATUVLZJMIOHDH-UHFFFAOYSA-N 2 0 311.429 2.926 20 0 DFADRP c1coc(-c2nc(C[NH2+][C@@H]3CC[C@@H]4C[NH2+]C[C@@H]4C3)cs2)c1 ZINC000647549910 431627726 /nfs/dbraw/zinc/62/77/26/431627726.db2.gz XLTXMHMXSMBQBX-FRRDWIJNSA-N 2 0 303.431 2.881 20 0 DFADRP C[C@H]([NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1)c1cccc(-n2cccn2)c1 ZINC000647550183 431629057 /nfs/dbraw/zinc/62/90/57/431629057.db2.gz DRLHZVCWBYKREU-LEUOFYLZSA-N 2 0 310.445 2.911 20 0 DFADRP CC[NH+]1CCN(CCC[NH2+]C2CCC(C3CCC3)CC2)CC1 ZINC000657308049 431665620 /nfs/dbraw/zinc/66/56/20/431665620.db2.gz LTOKNHCFHARVPV-UHFFFAOYSA-N 2 0 307.526 2.963 20 0 DFADRP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCC[N@@H+]2Cc2scnc2C2CC2)C1 ZINC000650725213 431668948 /nfs/dbraw/zinc/66/89/48/431668948.db2.gz VVILKLVHRLHUJR-KFWWJZLASA-N 2 0 321.490 2.881 20 0 DFADRP C[C@H]1[C@H]([NH2+]CCC2(C[NH3+])CC2)CCCN1Cc1ccccc1 ZINC000650747975 431676915 /nfs/dbraw/zinc/67/69/15/431676915.db2.gz KUVYSQWTVQJALG-FUHWJXTLSA-N 2 0 301.478 2.758 20 0 DFADRP COc1ccc([C@@H](C)[C@@H](C)[NH2+]CCC2(C[NH3+])CC2)cc1OC ZINC000650747370 431677116 /nfs/dbraw/zinc/67/71/16/431677116.db2.gz YMVNRFIUWJRWPI-UONOGXRCSA-N 2 0 306.450 2.914 20 0 DFADRP [NH3+]CC1(CC[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)CC1 ZINC000650745312 431677639 /nfs/dbraw/zinc/67/76/39/431677639.db2.gz DFPINLQWZWHAKV-REPLKXPHSA-N 3 0 313.489 2.901 20 0 DFADRP COc1ccc([C@H](C)[C@H](C)[NH2+]CCC2(C[NH3+])CC2)cc1OC ZINC000650747369 431677924 /nfs/dbraw/zinc/67/79/24/431677924.db2.gz YMVNRFIUWJRWPI-KGLIPLIRSA-N 2 0 306.450 2.914 20 0 DFADRP C[NH2+]Cc1ccccc1C[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1 ZINC000650756316 431681548 /nfs/dbraw/zinc/68/15/48/431681548.db2.gz ZIDPVPQOYODIDC-GUDVDZBRSA-N 3 0 301.478 2.806 20 0 DFADRP C[NH2+]Cc1ccccc1C[NH2+][C@H](C)c1ccccc1-n1ccnn1 ZINC000650756189 431683207 /nfs/dbraw/zinc/68/32/07/431683207.db2.gz WGPMGXPYLNPQNH-OAHLLOKOSA-N 2 0 321.428 2.838 20 0 DFADRP CC[N@@H+]1CCC[C@@H](C[NH2+]Cc2ccc(O[C@H](C)COC)cc2)C1 ZINC000657337465 431683198 /nfs/dbraw/zinc/68/31/98/431683198.db2.gz VSVROEZJAXHPTB-AEFFLSMTSA-N 2 0 320.477 2.922 20 0 DFADRP c1ccc(OCC2CC2)c(C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)c1 ZINC000647785954 431684070 /nfs/dbraw/zinc/68/40/70/431684070.db2.gz GVFKYRHEGRYDTR-CGTJXYLNSA-N 2 0 300.446 2.953 20 0 DFADRP CN(C)[C@H](C[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1)c1ccc(Cl)cc1 ZINC000647788004 431684548 /nfs/dbraw/zinc/68/45/48/431684548.db2.gz BLOSJHDCRBDJCZ-JOCBIADPSA-N 2 0 321.896 2.920 20 0 DFADRP C[C@H]([NH2+]CCC1CC[NH2+]CC1)c1ccc2c(c1)OCCCO2 ZINC000650764141 431684714 /nfs/dbraw/zinc/68/47/14/431684714.db2.gz QYIVLDVCGQEIGF-AWEZNQCLSA-N 2 0 304.434 2.888 20 0 DFADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]CCc1ccc2c(c1)OC(F)(F)O2 ZINC000650761435 431685426 /nfs/dbraw/zinc/68/54/26/431685426.db2.gz ZTXWNOSVUDOWHZ-YPMHNXCESA-N 2 0 312.360 2.528 20 0 DFADRP c1ccc([C@H]([NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)[C@H]2CCCO2)cc1 ZINC000647786521 431685755 /nfs/dbraw/zinc/68/57/55/431685755.db2.gz QZHOCCVOHKSIJN-ZRSRNVLSSA-N 2 0 300.446 2.884 20 0 DFADRP Cc1ccc([C@H](C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)N2CCCC2)o1 ZINC000647790066 431687329 /nfs/dbraw/zinc/68/73/29/431687329.db2.gz QQBWSLTWMPDSCU-XDNAFOTISA-N 2 0 317.477 2.703 20 0 DFADRP c1ccc([C@H]([NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)[C@@H]2CCOC2)cc1 ZINC000647792925 431687356 /nfs/dbraw/zinc/68/73/56/431687356.db2.gz FNVJUSVQMRPSAD-NNIGNNQHSA-N 2 0 300.446 2.742 20 0 DFADRP FC(F)Oc1ccccc1CC[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000647795654 431689302 /nfs/dbraw/zinc/68/93/02/431689302.db2.gz SMGCVDHHORRUAZ-SOUVJXGZSA-N 2 0 310.388 2.808 20 0 DFADRP COCCCOc1cccc(C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)c1 ZINC000647794215 431689325 /nfs/dbraw/zinc/68/93/25/431689325.db2.gz URFWQAGLQBJBRM-KZNAEPCWSA-N 2 0 318.461 2.580 20 0 DFADRP COc1cc(C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)c2ccccc2n1 ZINC000647793197 431689421 /nfs/dbraw/zinc/68/94/21/431689421.db2.gz PHKBHAKDPNJGDE-IJEWVQPXSA-N 2 0 311.429 2.721 20 0 DFADRP c1ccc([C@H]([NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)[C@H]2CCOC2)cc1 ZINC000647792926 431689850 /nfs/dbraw/zinc/68/98/50/431689850.db2.gz FNVJUSVQMRPSAD-SPOLIRPYSA-N 2 0 300.446 2.742 20 0 DFADRP COc1cccc([C@@H]2C[C@H]2C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)c1 ZINC000647799938 431691361 /nfs/dbraw/zinc/69/13/61/431691361.db2.gz VFBYBTLXZHFKJP-KMOPNRPKSA-N 2 0 300.446 2.776 20 0 DFADRP COC[C@@H](C)Oc1ccc(C[NH2+]CCC2CC[NH+](C)CC2)cc1 ZINC000657348154 431692742 /nfs/dbraw/zinc/69/27/42/431692742.db2.gz MGNMXZRDGSNVAF-MRXNPFEDSA-N 2 0 320.477 2.922 20 0 DFADRP CC[C@@H]1C[C@H]([NH2+]Cc2ccc(OCC[NH+]3CCCC3)cc2)CO1 ZINC000657358486 431698833 /nfs/dbraw/zinc/69/88/33/431698833.db2.gz WYEFDIRWHONPCT-ZWKOTPCHSA-N 2 0 318.461 2.818 20 0 DFADRP COC[C@@H](C)Oc1ccc(C[NH2+]C[C@@H]2CCC[N@H+](C)C2)cc1 ZINC000657357831 431699761 /nfs/dbraw/zinc/69/97/61/431699761.db2.gz FKSAXEAMZWSIHR-WBVHZDCISA-N 2 0 306.450 2.532 20 0 DFADRP Cc1ccc2cc(C[NH2+]CCCC[N@@H+]3CCC[C@H]3CO)[nH]c2c1 ZINC000657356525 431700696 /nfs/dbraw/zinc/70/06/96/431700696.db2.gz NICQNESUVNTZJM-SFHVURJKSA-N 2 0 315.461 2.803 20 0 DFADRP C[C@@H](C[NH2+]C1CC[NH+](CC(C)(C)O)CC1)Cc1cccs1 ZINC000647909331 431723723 /nfs/dbraw/zinc/72/37/23/431723723.db2.gz CUVMNXZSBIBJSZ-CQSZACIVSA-N 2 0 310.507 2.752 20 0 DFADRP C[C@@]1(C[NH+]2CCC(OCC[NH+]3CCCC3)CC2)CCCS1 ZINC000647911240 431725797 /nfs/dbraw/zinc/72/57/97/431725797.db2.gz YAQKMASAFQHMEY-KRWDZBQOSA-N 2 0 312.523 2.849 20 0 DFADRP O[C@@H]1CCCC[C@H]1CCC[NH2+]Cc1ccnn1-c1cc[nH+]cc1 ZINC000657403010 431730349 /nfs/dbraw/zinc/73/03/49/431730349.db2.gz OJILFIBHKPSMAN-MAUKXSAKSA-N 2 0 314.433 2.688 20 0 DFADRP Cc1noc(C)c1[C@@H](C)C[NH2+]Cc1ccnn1-c1cc[nH+]cc1 ZINC000657416049 431734270 /nfs/dbraw/zinc/73/42/70/431734270.db2.gz OSORAPABJOQNGM-LBPRGKRZSA-N 2 0 311.389 2.765 20 0 DFADRP CCOCCC1(C[NH2+]Cc2ccnn2-c2cc[nH+]cc2)CC1 ZINC000657413384 431735058 /nfs/dbraw/zinc/73/50/58/431735058.db2.gz AJFXZIJSARWUME-UHFFFAOYSA-N 2 0 300.406 2.564 20 0 DFADRP CC[C@@H]1C[N@H+](CCC(=O)Nc2ccc(Cl)cc2)CC[C@@H]1[NH3+] ZINC000647937432 431737850 /nfs/dbraw/zinc/73/78/50/431737850.db2.gz ZBWBEWDGWXNNBS-DOMZBBRYSA-N 2 0 309.841 2.728 20 0 DFADRP C[C@H](CCO)C1(C[NH2+]Cc2ccnn2-c2cc[nH+]cc2)CCC1 ZINC000657428023 431743600 /nfs/dbraw/zinc/74/36/00/431743600.db2.gz VXXUENXWXAKNIB-OAHLLOKOSA-N 2 0 314.433 2.546 20 0 DFADRP COC[C@H](C)Oc1ccc(C[NH2+]CC2(C)CC[NH+](C)CC2)cc1 ZINC000657429621 431748255 /nfs/dbraw/zinc/74/82/55/431748255.db2.gz HAQOIVMHPOPTEO-INIZCTEOSA-N 2 0 320.477 2.922 20 0 DFADRP Cc1ncc(C[NH2+][C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]23)n1C ZINC000657433657 431752240 /nfs/dbraw/zinc/75/22/40/431752240.db2.gz YDAPEQSHEBEXJB-YZGWKJHDSA-N 2 0 324.472 2.729 20 0 DFADRP Cc1ncc(C[NH2+][C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)n1C ZINC000657433656 431752348 /nfs/dbraw/zinc/75/23/48/431752348.db2.gz YDAPEQSHEBEXJB-YSIASYRMSA-N 2 0 324.472 2.729 20 0 DFADRP Cc1ccccc1[C@@H]1C[C@@H](C)[NH+](C[C@H](O)C[N@@H+](C)C(C)C)C1 ZINC000647964465 431753098 /nfs/dbraw/zinc/75/30/98/431753098.db2.gz LNFBKQVMPVYPAY-KZNAEPCWSA-N 2 0 304.478 2.874 20 0 DFADRP Cn1ncc(C(F)(F)F)c1CNCC(C)(C)C[NH+]1CCCC1 ZINC000657446340 431756373 /nfs/dbraw/zinc/75/63/73/431756373.db2.gz IDEBRYWCMNOLMV-UHFFFAOYSA-N 2 0 318.387 2.651 20 0 DFADRP Cc1cccc(NC(=O)C[N@@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)c1 ZINC000647975227 431760917 /nfs/dbraw/zinc/76/09/17/431760917.db2.gz RGKVCSFZQKKDNR-DLBZAZTESA-N 2 0 315.461 2.645 20 0 DFADRP Cc1ccc2cc(C[NH2+]CCN3CC[N@@H+](C)C(C)(C)C3)[nH]c2c1 ZINC000657457750 431762661 /nfs/dbraw/zinc/76/26/61/431762661.db2.gz BWTLIUNCOPOHDU-UHFFFAOYSA-N 2 0 314.477 2.592 20 0 DFADRP Fc1ccccc1OCC[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647975882 431763133 /nfs/dbraw/zinc/76/31/33/431763133.db2.gz HDVWKRKPZAADAZ-JKSUJKDBSA-N 2 0 306.425 2.916 20 0 DFADRP C[C@@H]([NH2+]Cc1cnc2n1CCC2)c1cccc(-n2ccnc2)c1 ZINC000657381771 431714134 /nfs/dbraw/zinc/71/41/34/431714134.db2.gz RFZMKRCAFPBEAM-CQSZACIVSA-N 2 0 307.401 2.866 20 0 DFADRP CCCCCNC(=O)C1CC[NH+](CCCC2CC[NH2+]CC2)CC1 ZINC000647876407 431715522 /nfs/dbraw/zinc/71/55/22/431715522.db2.gz XZQXQYYWSVBJJG-UHFFFAOYSA-N 2 0 323.525 2.785 20 0 DFADRP C[N@@H+](Cc1cccnc1)C[C@H]1CCN(c2[nH+]ccc3[nH]ccc32)C1 ZINC000647878313 431717064 /nfs/dbraw/zinc/71/70/64/431717064.db2.gz XUROQNUOAMYHOH-MRXNPFEDSA-N 2 0 321.428 2.916 20 0 DFADRP C[NH+](C)C1CCN(CC[NH2+]C2CCC(C3CCC3)CC2)CC1 ZINC000657386744 431718841 /nfs/dbraw/zinc/71/88/41/431718841.db2.gz LJZOMRRXKMCRFR-UHFFFAOYSA-N 2 0 307.526 2.961 20 0 DFADRP c1ccc(-c2noc(C3CC[NH+](C[C@@H]4CC[NH2+]C4)CC3)n2)cc1 ZINC000647884482 431719233 /nfs/dbraw/zinc/71/92/33/431719233.db2.gz VAGKZGJBEZFSKN-CQSZACIVSA-N 2 0 312.417 2.526 20 0 DFADRP CC(C)(O)C[NH+]1CCC([NH2+][C@H]2CCc3c2cccc3F)CC1 ZINC000647908947 431723522 /nfs/dbraw/zinc/72/35/22/431723522.db2.gz ACWSGAHIJPFFIM-KRWDZBQOSA-N 2 0 306.425 2.638 20 0 DFADRP COC[C@H](C)Oc1ccc(C[NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)cc1 ZINC000657504126 431790669 /nfs/dbraw/zinc/79/06/69/431790669.db2.gz CFADUNKODFUVPM-BHYGNILZSA-N 2 0 306.450 2.530 20 0 DFADRP Cc1ccccc1-n1cc(CN(C)[C@H]2CC[N@@H+](C)C[C@@H]2C)cn1 ZINC000648035851 431794325 /nfs/dbraw/zinc/79/43/25/431794325.db2.gz SKWSAMUSRXICIS-WMZOPIPTSA-N 2 0 312.461 2.953 20 0 DFADRP C([NH2+][C@@H]1CCOC2(CCC2)C1)C1CC[NH+](C2CCOCC2)CC1 ZINC000657537246 431800438 /nfs/dbraw/zinc/80/04/38/431800438.db2.gz FCDHLVVIOJSJFC-QGZVFWFLSA-N 2 0 322.493 2.569 20 0 DFADRP CC1(C)C[C@H](C[NH2+]Cc2ccnn2-c2cc[nH+]cc2)CCO1 ZINC000657488968 431783012 /nfs/dbraw/zinc/78/30/12/431783012.db2.gz VIRMZQFDNZRDKA-CQSZACIVSA-N 2 0 300.406 2.562 20 0 DFADRP C[C@H]([NH2+]Cc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1)[C@H]1CC1(C)C ZINC000657597276 431820215 /nfs/dbraw/zinc/82/02/15/431820215.db2.gz SADYJWQYYWLHCL-JCGIZDLHSA-N 2 0 302.462 2.777 20 0 DFADRP Cc1sccc1C[NH2+]Cc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1 ZINC000657595805 431820273 /nfs/dbraw/zinc/82/02/73/431820273.db2.gz KCPFIBIBUBFBJZ-SFHVURJKSA-N 2 0 316.470 2.913 20 0 DFADRP C[C@H]([NH2+]Cc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1)[C@@H]1CC1(C)C ZINC000657597277 431821642 /nfs/dbraw/zinc/82/16/42/431821642.db2.gz SADYJWQYYWLHCL-QGTPRVQTSA-N 2 0 302.462 2.777 20 0 DFADRP Cc1nc(C[NH2+]CC2CC[NH+](Cc3ccncc3)CC2)cs1 ZINC000657612264 431824589 /nfs/dbraw/zinc/82/45/89/431824589.db2.gz KTTUJUQYIYHDHC-UHFFFAOYSA-N 2 0 316.474 2.848 20 0 DFADRP CCc1nocc1C[NH2+]CC1CC[NH+](Cc2ccncc2)CC1 ZINC000657613276 431825947 /nfs/dbraw/zinc/82/59/47/431825947.db2.gz KFVUPTHOKNDEDK-UHFFFAOYSA-N 2 0 314.433 2.634 20 0 DFADRP CCCC[N@H+](C)C[C@H](C)NC(=O)[C@H]([NH3+])c1cccc(Cl)c1 ZINC000648153961 431826308 /nfs/dbraw/zinc/82/63/08/431826308.db2.gz KQZRKYJKPWBJLD-SWLSCSKDSA-N 2 0 311.857 2.576 20 0 DFADRP C[C@@H]1CCC[C@@H](C[NH2+]Cc2ccc(OCC[NH+](C)C)cc2)O1 ZINC000657662623 431833738 /nfs/dbraw/zinc/83/37/38/431833738.db2.gz DKHBPRKISPJWCG-QAPCUYQASA-N 2 0 306.450 2.674 20 0 DFADRP Cc1cccc2c1[nH+]cc(C)c2N1CC[N@@H+](C[C@@H](C)O)[C@@H](C)C1 ZINC000248399562 281308116 /nfs/dbraw/zinc/30/81/16/281308116.db2.gz VYZHWFRKYCBKCV-JKSUJKDBSA-N 2 0 313.445 2.743 20 0 DFADRP CCC(C)(C)[NH2+][C@H](C)C(=O)NC[C@@H]1CCCC[N@@H+]1CC(C)C ZINC000357629164 282024236 /nfs/dbraw/zinc/02/42/36/282024236.db2.gz DLHCAKAKZWVCEQ-CVEARBPZSA-N 2 0 311.514 2.780 20 0 DFADRP CCC(C)(C)[NH2+][C@H](C)C(=O)N[C@H](C[NH+](C)C)c1ccccc1 ZINC000273188574 282026455 /nfs/dbraw/zinc/02/64/55/282026455.db2.gz INDBZORFGUOPLM-GDBMZVCRSA-N 2 0 305.466 2.572 20 0 DFADRP Cc1nc2c(s1)[C@H]([NH2+]CCCC[N@@H+]1CCC[C@H]1CO)CCC2 ZINC000305135986 282042680 /nfs/dbraw/zinc/04/26/80/282042680.db2.gz ONAUVGSBULDPDG-LSDHHAIUSA-N 2 0 323.506 2.655 20 0 DFADRP CCc1cccnc1[C@H](C)[NH2+]C[C@H](C(C)C)N1CC[NH+](C)CC1 ZINC000356848766 288599273 /nfs/dbraw/zinc/59/92/73/288599273.db2.gz PACCRCADNDURLE-FUHWJXTLSA-N 2 0 318.509 2.567 20 0 DFADRP COc1c[nH+]ccc1N1CC[NH+](CCc2ccc(C)cc2)CC1 ZINC000361520210 289068527 /nfs/dbraw/zinc/06/85/27/289068527.db2.gz RZQNJUDAGSQSKI-UHFFFAOYSA-N 2 0 311.429 2.763 20 0 DFADRP CCC([NH3+])(CC)CNC(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C ZINC000415782238 289136999 /nfs/dbraw/zinc/13/69/99/289136999.db2.gz DSKHVTXFPVEFHX-MRXNPFEDSA-N 2 0 318.465 2.875 20 0 DFADRP C[NH+](C)[C@@H]1CCc2cc(NC(=O)NC3(C[NH3+])CCCC3)ccc21 ZINC000415793219 289138967 /nfs/dbraw/zinc/13/89/67/289138967.db2.gz UBHNJJZEBKTVGB-MRXNPFEDSA-N 2 0 316.449 2.629 20 0 DFADRP C[NH+](C)C[C@](C)(O)C[NH2+][C@@H]1CCC[C@@H]1c1ccccc1Cl ZINC000368325277 289222779 /nfs/dbraw/zinc/22/27/79/289222779.db2.gz YYNOSVFLIKIDPK-DJIMGWMZSA-N 2 0 310.869 2.878 20 0 DFADRP C[N@@H+]1CC[C@H]([NH2+]C[C@]2(CO)C[C@@H]2c2ccccc2)[C@@H]2CCC[C@H]21 ZINC000353640730 290220741 /nfs/dbraw/zinc/22/07/41/290220741.db2.gz HNMKIXIMOPIHJM-YHDCXSKOSA-N 2 0 314.473 2.615 20 0 DFADRP CC[NH+](CC)CC1CCN(C(=O)[C@H](C)[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC000436244189 296994076 /nfs/dbraw/zinc/99/40/76/296994076.db2.gz CEWOIUFTRSNSAL-ULQDDVLXSA-N 2 0 323.525 2.828 20 0 DFADRP O[C@H](C[NH2+][C@H]1CC[C@@H](c2ccccc2)C1)C[NH+]1CCCCC1 ZINC000436278365 296995825 /nfs/dbraw/zinc/99/58/25/296995825.db2.gz DOSVPLDSGWZLBQ-CEXWTWQISA-N 2 0 302.462 2.759 20 0 DFADRP Cc1ccc2[nH+]ccc(N3CCC([N@@H+](C)C[C@@H](C)O)CC3)c2c1 ZINC000436433079 297003156 /nfs/dbraw/zinc/00/31/56/297003156.db2.gz MHQBPHZCQKNARU-OAHLLOKOSA-N 2 0 313.445 2.825 20 0 DFADRP O[C@@H]1CCCC[C@@H]1CCC[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000436470069 297004391 /nfs/dbraw/zinc/00/43/91/297004391.db2.gz HYJMFHWPEGMESZ-VQIMIIECSA-N 2 0 317.477 2.971 20 0 DFADRP CO[C@H](C)[C@H](C)[NH2+]Cc1ccccc1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000358026027 294334712 /nfs/dbraw/zinc/33/47/12/294334712.db2.gz UHUAPWIECQQMSI-VVLHAWIVSA-N 2 0 320.477 2.809 20 0 DFADRP Cc1ccc([C@H](C)[NH2+]CCCC[NH+]2CCN(C)CC2)cc1C ZINC000154375739 295298583 /nfs/dbraw/zinc/29/85/83/295298583.db2.gz KDAVJLYIUGJEGL-SFHVURJKSA-N 2 0 303.494 2.982 20 0 DFADRP C[C@@H]1Cc2ccc(F)cc2[C@H]1[NH2+]CCCC[NH+]1CCN(C)CC1 ZINC000154445883 295300439 /nfs/dbraw/zinc/30/04/39/295300439.db2.gz DHAHCQGPYROVAY-BEFAXECRSA-N 2 0 319.468 2.676 20 0 DFADRP C[C@@H]1Cc2ccc(F)cc2[C@@H]1[NH2+]CCCC[NH+]1CCN(C)CC1 ZINC000154445665 295300462 /nfs/dbraw/zinc/30/04/62/295300462.db2.gz DHAHCQGPYROVAY-DNVCBOLYSA-N 2 0 319.468 2.676 20 0 DFADRP CC(C)[C@@H](CCc1ccccc1)[NH2+][C@@H](C)CN1CC[NH+](C)CC1 ZINC000155081146 295312540 /nfs/dbraw/zinc/31/25/40/295312540.db2.gz KQXYPDKIAYAIBQ-AZUAARDMSA-N 2 0 317.521 2.869 20 0 DFADRP Cc1cc([C@@H](C)[NH2+][C@@H](C)CN2CC[NH+](C)CC2)cc(C)c1F ZINC000155137628 295313394 /nfs/dbraw/zinc/31/33/94/295313394.db2.gz GEWYSABAWQLLLN-JKSUJKDBSA-N 2 0 307.457 2.729 20 0 DFADRP CC[C@@H](C)[C@H](C)[NH2+]Cc1cccc(OCCN2CCOCC2)c1 ZINC000155153073 295313781 /nfs/dbraw/zinc/31/37/81/295313781.db2.gz MNFVNKGSFRUALP-SJORKVTESA-N 2 0 320.477 2.922 20 0 DFADRP CC[NH+]1CCN([C@@H](C)C[NH2+][C@H](C)c2cc(C)ccc2C)CC1 ZINC000155608373 295321876 /nfs/dbraw/zinc/32/18/76/295321876.db2.gz ZYJXYVJDVUTROL-ZWKOTPCHSA-N 2 0 303.494 2.980 20 0 DFADRP C[C@@H]([NH2+]C[C@@H]1CCC[N@H+](C)C1)c1ccc(OCC[NH+](C)C)cc1 ZINC000158097365 295358229 /nfs/dbraw/zinc/35/82/29/295358229.db2.gz XHHSPDKBOANQNM-SJORKVTESA-N 3 0 319.493 2.619 20 0 DFADRP COCCOc1ccc([C@@H](C)[NH2+]C[C@H]2CCC[N@H+](C)C2)cc1 ZINC000158144713 295358944 /nfs/dbraw/zinc/35/89/44/295358944.db2.gz PLHULKAATNACGL-HZPDHXFCSA-N 2 0 306.450 2.704 20 0 DFADRP CCC[C@@H]([NH2+]CCCC[N@@H+]1CCC[C@@H]1CO)c1ccccn1 ZINC000159090344 295371656 /nfs/dbraw/zinc/37/16/56/295371656.db2.gz ADXMFXVSVAMXLU-IAGOWNOFSA-N 2 0 305.466 2.749 20 0 DFADRP CC[NH+]1CCC(NC(=O)C[NH2+][C@H]2CCCC[C@H]2C(C)(C)C)CC1 ZINC000411365053 295535851 /nfs/dbraw/zinc/53/58/51/295535851.db2.gz MTKOKKUZBPOVJM-SJORKVTESA-N 2 0 323.525 2.781 20 0 DFADRP COC1([C@H](C)[NH2+]C/C=C\C[NH2+][C@@H](C)C2(OC)CCC2)CCC1 ZINC000412025106 295578051 /nfs/dbraw/zinc/57/80/51/295578051.db2.gz PAWJYPFJCFJHCJ-XFCCUVRLSA-N 2 0 310.482 2.637 20 0 DFADRP CSC1(C[NH2+][C@H](C)c2cnc(C)nc2C)CC[NH+](C)CC1 ZINC000353623211 295583154 /nfs/dbraw/zinc/58/31/54/295583154.db2.gz AQUUBYHUAJSQON-GFCCVEGCSA-N 2 0 308.495 2.571 20 0 DFADRP CC[C@@H]1C[NH+](C/C=C/C[N@@H+]2CCCO[C@@H](CC)C2)CCCO1 ZINC000439470872 297127219 /nfs/dbraw/zinc/12/72/19/297127219.db2.gz FEFBBCSJGLFIGL-FBLDJFESSA-N 2 0 310.482 2.544 20 0 DFADRP CC[C@H](C(=O)NC[C@@H]1CCCC[N@@H+]1CC(C)C)[NH+](CC)CC ZINC000439701294 297135631 /nfs/dbraw/zinc/13/56/31/297135631.db2.gz JKOQOQRBADGZOZ-DLBZAZTESA-N 2 0 311.514 2.734 20 0 DFADRP CC[NH+](CC)C[C@@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC000440256786 297148859 /nfs/dbraw/zinc/14/88/59/297148859.db2.gz CXQBIKJQWSCHBY-WMZOPIPTSA-N 2 0 321.509 2.584 20 0 DFADRP CCC[N@H+](C)C[C@@H]1CCN(C(=O)[C@@H]2CCC[NH+]2C2CCCC2)C1 ZINC000440268893 297149443 /nfs/dbraw/zinc/14/94/43/297149443.db2.gz NXIGJTJBUIZNRE-WMZOPIPTSA-N 2 0 321.509 2.584 20 0 DFADRP COC(=O)CC1(C[NH+]2CCC(CCC[NH+]3CCCC3)CC2)CC1 ZINC000440778184 297164864 /nfs/dbraw/zinc/16/48/64/297164864.db2.gz ANAFZSVOIVODJD-UHFFFAOYSA-N 2 0 322.493 2.918 20 0 DFADRP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@@H+]2CCCOc1ccccc1 ZINC000441172505 297174156 /nfs/dbraw/zinc/17/41/56/297174156.db2.gz HEEOMGBHYUSBQM-NEWSRXKRSA-N 2 0 318.461 2.639 20 0 DFADRP C[N@@H+]1CCN(CC[NH2+]C/C=C/c2ccc(F)cc2F)CC1(C)C ZINC000441333378 297179876 /nfs/dbraw/zinc/17/98/76/297179876.db2.gz LUQAGINOVFFMKZ-SNAWJCMRSA-N 2 0 323.431 2.594 20 0 DFADRP C[N@@H+](Cc1ccccc1)CC1CC[NH+](CC2(C)COC2)CC1 ZINC000441502411 297185113 /nfs/dbraw/zinc/18/51/13/297185113.db2.gz FQCSJPMHPCJJHV-UHFFFAOYSA-N 2 0 302.462 2.867 20 0 DFADRP C[C@@H]1C[C@@H](C[NH3+])C[N@@H+]1CCc1nc(-c2ccc(Cl)cc2)no1 ZINC000442788778 297206360 /nfs/dbraw/zinc/20/63/60/297206360.db2.gz IZMODPCAWJAIDH-NEPJUHHUSA-N 2 0 320.824 2.602 20 0 DFADRP C[C@@H]1CCC[C@H]([NH+]2CCC([NH2+]CC3([S@](C)=O)CC3)CC2)C1 ZINC000442797832 297206822 /nfs/dbraw/zinc/20/68/22/297206822.db2.gz HWFXZBCMKJMQMN-ZJTDPSCFSA-N 2 0 312.523 2.530 20 0 DFADRP CC[N@@H+]1CC[C@H](N(C)Cc2cc(C(F)(F)F)n[nH]2)C[C@@H]1C ZINC000442886842 297209577 /nfs/dbraw/zinc/20/95/77/297209577.db2.gz UURYXDUCVVHQRL-JQWIXIFHSA-N 2 0 304.360 2.733 20 0 DFADRP [NH3+]CC[C@@H]1CCC[N@H+](Cc2c[nH]nc2-c2c(F)cccc2F)C1 ZINC000442916837 297211042 /nfs/dbraw/zinc/21/10/42/297211042.db2.gz ARKAOYMTOXVMLM-LBPRGKRZSA-N 2 0 320.387 2.916 20 0 DFADRP COc1ccc(C[N@@H+]2CCC[C@H](CC[NH3+])C2)c(OC(F)F)c1 ZINC000442921318 297211305 /nfs/dbraw/zinc/21/13/05/297211305.db2.gz IQEUKMGSBLXCER-GFCCVEGCSA-N 2 0 314.376 2.857 20 0 DFADRP CC(C)[C@@H](NC(=O)C[N@@H+]1CCC[C@@H](CC[NH3+])C1)c1ccccc1 ZINC000443058439 297213839 /nfs/dbraw/zinc/21/38/39/297213839.db2.gz ADHLTNHNOOPUIS-QFBILLFUSA-N 2 0 317.477 2.561 20 0 DFADRP CSc1ccc(NC(=O)[C@@H](C)[N@@H+]2CCC[C@H](CC[NH3+])C2)cc1 ZINC000443057650 297213946 /nfs/dbraw/zinc/21/39/46/297213946.db2.gz HNWRXCXWDZDKHT-ZIAGYGMSSA-N 2 0 321.490 2.796 20 0 DFADRP C[C@H](NC(=O)C[N@@H+]1CCC[C@H](CC[NH3+])C1)c1ccc(Cl)cc1 ZINC000443063433 297214339 /nfs/dbraw/zinc/21/43/39/297214339.db2.gz WOWROYZZXFWDGU-UONOGXRCSA-N 2 0 323.868 2.578 20 0 DFADRP C[C@H](c1nc(-c2ccccc2)no1)[N@@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000443066085 297214883 /nfs/dbraw/zinc/21/48/83/297214883.db2.gz DIXKBSLIFNHMIG-KGLIPLIRSA-N 2 0 300.406 2.858 20 0 DFADRP CO[C@@H]1CC[N@H+](Cc2cn(-c3cc[nH+]cc3)nc2C)[C@@H](C)C1 ZINC000443075776 297215310 /nfs/dbraw/zinc/21/53/10/297215310.db2.gz VXIZFMUXAKSWQF-SUMWQHHRSA-N 2 0 300.406 2.575 20 0 DFADRP Cc1sc(NC(=O)C[N@@H+]2CCC[C@H](CC[NH3+])C2)c(C)c1C ZINC000443077423 297215396 /nfs/dbraw/zinc/21/53/96/297215396.db2.gz URNAIXPEPXSQCS-CQSZACIVSA-N 2 0 309.479 2.673 20 0 DFADRP CC(C)c1nccn1CCC(=O)NCC[N@@H+]1CCCC(C)(C)C1 ZINC000444630165 297242241 /nfs/dbraw/zinc/24/22/41/297242241.db2.gz NPRRMSAOVXKESB-UHFFFAOYSA-N 2 0 320.481 2.635 20 0 DFADRP COC[C@H]([NH2+]CCCC[NH+]1C[C@H](C)O[C@@H](C)C1)C1CCCC1 ZINC000446819711 297287279 /nfs/dbraw/zinc/28/72/79/297287279.db2.gz VDFBCZVRXLDULY-BQFCYCMXSA-N 2 0 312.498 2.671 20 0 DFADRP C[NH+](C)CCOCC[NH2+][C@H]1CC2(CCC2)Oc2ccccc21 ZINC000447597805 297310369 /nfs/dbraw/zinc/31/03/69/297310369.db2.gz HABKULYYYVLGGS-INIZCTEOSA-N 2 0 304.434 2.601 20 0 DFADRP Cn1ccc(CC[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)n1 ZINC000447603529 297310627 /nfs/dbraw/zinc/31/06/27/297310627.db2.gz YBGWVOTYQJIRKR-ACDBMABISA-N 2 0 324.472 2.748 20 0 DFADRP CC[C@H](C(=O)NC[C@@H]1CCC[N@H+](CC(C)C)C1)[NH+](CC)CC ZINC000448444907 297339953 /nfs/dbraw/zinc/33/99/53/297339953.db2.gz RJDDONNMLPKLTE-DLBZAZTESA-N 2 0 311.514 2.591 20 0 DFADRP C[C@@H]1CN(CC[C@@H]2CCC[N@@H+]2C)CC[NH+](Cc2ccccc2)C1 ZINC000448552020 297342408 /nfs/dbraw/zinc/34/24/08/297342408.db2.gz JCOKINCLDFJOIS-QUCCMNQESA-N 2 0 315.505 2.925 20 0 DFADRP c1cc2cccc(C[NH+]3CCN(CC[NH+]4CCCC4)CC3)c2o1 ZINC000449008723 297389584 /nfs/dbraw/zinc/38/95/84/297389584.db2.gz ROGWSIDANRVBQO-UHFFFAOYSA-N 2 0 313.445 2.646 20 0 DFADRP C[NH+](C)CCOC1CC[NH+](Cc2cccc3ccoc32)CC1 ZINC000449024377 297392986 /nfs/dbraw/zinc/39/29/86/297392986.db2.gz AQVBCHLLQZOSBX-UHFFFAOYSA-N 2 0 302.418 2.975 20 0 DFADRP CC[NH+](CC)CCO[C@H]1CC[N@H+](Cc2cc(F)cc(OC)c2)C1 ZINC000449035815 297395541 /nfs/dbraw/zinc/39/55/41/297395541.db2.gz HWSBTXHHWRQQIV-KRWDZBQOSA-N 2 0 324.440 2.767 20 0 DFADRP CSCC1CCC([NH2+]CCCC[NH+]2CCOCC2)CC1 ZINC000449081604 297402062 /nfs/dbraw/zinc/40/20/62/297402062.db2.gz GOUOQVFKESIGTA-UHFFFAOYSA-N 2 0 300.512 2.610 20 0 DFADRP [NH3+][C@@H]1CCCC[C@@H]1CC(=O)NCCCCC[NH+]1CCCCC1 ZINC000449352049 297451988 /nfs/dbraw/zinc/45/19/88/297451988.db2.gz RXYPHJPIUHXQMS-IAGOWNOFSA-N 2 0 309.498 2.666 20 0 DFADRP CC[NH+]1CCN(c2ccccc2C[NH2+]C2CC(C)(F)C2)CC1 ZINC000449370115 297455152 /nfs/dbraw/zinc/45/51/52/297455152.db2.gz IMPSOMDLHLIIDT-UHFFFAOYSA-N 2 0 305.441 2.809 20 0 DFADRP C[NH+](C)CCCC(C)(C)[NH2+]Cc1nccn1CC(F)(F)F ZINC000449528639 297486967 /nfs/dbraw/zinc/48/69/67/297486967.db2.gz QUHSDXKGSNRDEC-UHFFFAOYSA-N 2 0 306.376 2.655 20 0 DFADRP [NH3+][C@@H]1CCC[C@@H](CNC(=O)c2cccc(C[NH+]3CCCC3)c2)C1 ZINC000449642867 297505042 /nfs/dbraw/zinc/50/50/42/297505042.db2.gz HFTJPJXKFOHFDX-CRAIPNDOSA-N 2 0 315.461 2.530 20 0 DFADRP CC[NH+]1CCN(CC(C)(C)[NH2+]Cc2cc(F)ccc2C)CC1 ZINC000449743803 297524552 /nfs/dbraw/zinc/52/45/52/297524552.db2.gz BHAQUNDLJDNCAM-UHFFFAOYSA-N 2 0 307.457 2.640 20 0 DFADRP CC[NH+]1CCN(CC(C)(C)[NH2+]Cc2ccc(C)c(C)c2)CC1 ZINC000449753923 297527679 /nfs/dbraw/zinc/52/76/79/297527679.db2.gz PCQBUHWDBWZYAR-UHFFFAOYSA-N 2 0 303.494 2.809 20 0 DFADRP C[C@H](C(=O)N1CCCc2cc(C[NH3+])ccc21)[NH+]1CCCCCC1 ZINC000378188308 298044729 /nfs/dbraw/zinc/04/47/29/298044729.db2.gz RKNCUTLBGHXNRA-OAHLLOKOSA-N 2 0 315.461 2.689 20 0 DFADRP COC1([C@H](C)[NH2+]CCC[NH+]2C[C@@H](C)C[C@H](C)C2)CCOCC1 ZINC000453055103 298057638 /nfs/dbraw/zinc/05/76/38/298057638.db2.gz DCPQYKFYNSPWCH-ULQDDVLXSA-N 2 0 312.498 2.528 20 0 DFADRP C[NH+]1CCN(c2ncccc2C[NH2+][C@@H](C2CC2)C2CCC2)CC1 ZINC000453069029 298058978 /nfs/dbraw/zinc/05/89/78/298058978.db2.gz DAFGVWGSQBCLPS-GOSISDBHSA-N 2 0 314.477 2.502 20 0 DFADRP C[NH+]1CCN(c2ccc(C[NH2+][C@@H](C3CC3)C3CCC3)cn2)CC1 ZINC000453071860 298059585 /nfs/dbraw/zinc/05/95/85/298059585.db2.gz DQNQTXQBOWTJME-LJQANCHMSA-N 2 0 314.477 2.502 20 0 DFADRP Cn1nccc1CN[C@@H]1CC[N@H+](Cc2ccccc2)[C@H]2CCC[C@@H]21 ZINC000453074358 298059802 /nfs/dbraw/zinc/05/98/02/298059802.db2.gz HMJPIOCYLLDGIQ-AQNXPRMDSA-N 2 0 324.472 2.953 20 0 DFADRP O[C@H](C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H]2CCC[C@@H]21)C(F)F ZINC000453123046 298064782 /nfs/dbraw/zinc/06/47/82/298064782.db2.gz FPVOWEALZRWCFT-QBPKDAKJSA-N 2 0 324.415 2.645 20 0 DFADRP C[NH+](C)CCOc1cc(C[NH2+][C@H](C2CC2)C2CCC2)ccn1 ZINC000453185568 298069738 /nfs/dbraw/zinc/06/97/38/298069738.db2.gz VNIBPHRUJVMXHC-SFHVURJKSA-N 2 0 303.450 2.690 20 0 DFADRP C[C@H](Cc1cnccn1)[NH2+][C@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000453198195 298071056 /nfs/dbraw/zinc/07/10/56/298071056.db2.gz OUTRZNVOWXXHAO-OAGGEKHMSA-N 2 0 302.466 2.650 20 0 DFADRP C[C@H](C(=O)N1CC[C@@H](C[NH+]2CCCCC2)C1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000253545346 298075709 /nfs/dbraw/zinc/07/57/09/298075709.db2.gz OPCJRHCYFFSIPJ-XDNAFOTISA-N 2 0 321.509 2.582 20 0 DFADRP COC[C@H](C[NH2+][C@@H]1CC[N@H+](C)C[C@H]1C)c1ccc(Cl)cc1 ZINC000453313950 298082566 /nfs/dbraw/zinc/08/25/66/298082566.db2.gz DZGFTEDHBSZOOF-UKPHBRMFSA-N 2 0 310.869 3.000 20 0 DFADRP CCC1(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)COC1 ZINC000453336543 298084473 /nfs/dbraw/zinc/08/44/73/298084473.db2.gz AHAQVQRQKIPRGJ-AEFFLSMTSA-N 2 0 302.462 2.913 20 0 DFADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCC1(CO)CC1 ZINC000453366992 298087163 /nfs/dbraw/zinc/08/71/63/298087163.db2.gz WOFRMKCVDUXFBF-SJLPKXTDSA-N 2 0 302.462 2.649 20 0 DFADRP Cc1cnc(CC[NH2+]C2CC[NH+]([C@@H]3CCC[C@@H](C)C3)CC2)cn1 ZINC000453410122 298091579 /nfs/dbraw/zinc/09/15/79/298091579.db2.gz VASJIXKATFFTTI-DNVCBOLYSA-N 2 0 316.493 2.960 20 0 DFADRP Cn1nccc1[C@H]1CCC[C@@H]([NH2+]CCCC[N@H+](C)C2CC2)C1 ZINC000453413968 298091856 /nfs/dbraw/zinc/09/18/56/298091856.db2.gz WVUAFFITQBXPCE-JKSUJKDBSA-N 2 0 304.482 2.910 20 0 DFADRP C[C@@H]1CN(Cc2ccccc2)C[C@@H]1[NH2+]CCCC[N@H+](C)C1CC1 ZINC000453420630 298093380 /nfs/dbraw/zinc/09/33/80/298093380.db2.gz ZREBHUVFONWHBQ-XLIONFOSSA-N 2 0 315.505 2.971 20 0 DFADRP C[C@H]([NH2+]C[C@H]1CCC[C@@H]1O)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000453634914 298107216 /nfs/dbraw/zinc/10/72/16/298107216.db2.gz SZXHEBRXCKNBGO-NQYYFHDYSA-N 2 0 302.462 2.648 20 0 DFADRP C[C@@H]([NH2+]C[C@H]1CCC[C@@H]1O)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000453634915 298107502 /nfs/dbraw/zinc/10/75/02/298107502.db2.gz SZXHEBRXCKNBGO-OWYHZJEWSA-N 2 0 302.462 2.648 20 0 DFADRP C[NH+](C)CCCC(C)(C)NC(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000454309691 298152782 /nfs/dbraw/zinc/15/27/82/298152782.db2.gz FJHRMYDBVMWOFD-UHFFFAOYSA-N 2 0 320.481 2.990 20 0 DFADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]CCc1ccc2c(c1)OCCO2 ZINC000261742347 298876472 /nfs/dbraw/zinc/87/64/72/298876472.db2.gz OBGBAERQWDZTJN-WBVHZDCISA-N 2 0 318.461 2.901 20 0 DFADRP CC[NH2+][C@H](C)C[NH2+][C@@H]1CCCN(C(=O)Oc2ccccc2)CC1 ZINC000496216449 300031457 /nfs/dbraw/zinc/03/14/57/300031457.db2.gz GKWRMZCRBCOLQC-HZPDHXFCSA-N 2 0 319.449 2.628 20 0 DFADRP COC(=O)N1CCC[C@H]([C@H](C)[NH2+][C@H]2C[C@H]([NH3+])c3ccccc32)C1 ZINC000496283794 300040761 /nfs/dbraw/zinc/04/07/61/300040761.db2.gz MLLJBHHACJZDFK-PYTWLRIVSA-N 2 0 317.433 2.588 20 0 DFADRP C[C@@H]([NH2+][C@@H](C)CC[NH+](C)C)[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000496347366 300050024 /nfs/dbraw/zinc/05/00/24/300050024.db2.gz WQBDYFZCKTZTKX-ZNMIVQPWSA-N 2 0 313.486 2.704 20 0 DFADRP COC(=O)N1CCC([C@H](C)[NH2+][C@@H]2C[C@@H]([NH3+])c3ccccc32)CC1 ZINC000496745282 300107692 /nfs/dbraw/zinc/10/76/92/300107692.db2.gz KXJQNIFJBXKZMN-JCURWCKSSA-N 2 0 317.433 2.588 20 0 DFADRP CCOC(=O)N1CCC[C@H]([C@@H](C)[NH2+]CCc2ccncc2C)C1 ZINC000496993686 300144253 /nfs/dbraw/zinc/14/42/53/300144253.db2.gz KKTRKXMMDCVDMW-WBVHZDCISA-N 2 0 319.449 2.779 20 0 DFADRP CCOC(=O)N1CCC[C@H]([C@H](C)[NH2+]CCc2ccncc2C)C1 ZINC000496993685 300144259 /nfs/dbraw/zinc/14/42/59/300144259.db2.gz KKTRKXMMDCVDMW-RDJZCZTQSA-N 2 0 319.449 2.779 20 0 DFADRP CC[C@H]([NH2+]C[C@@H](C)C[NH2+]C)[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000497144234 300168623 /nfs/dbraw/zinc/16/86/23/300168623.db2.gz IYYLDQQULIHXOU-SOUVJXGZSA-N 2 0 313.486 2.610 20 0 DFADRP CC(C)[NH+]1CCN(c2cccc(N[C@@H]3C[N@H+](C)C[C@H]3C)c2)CC1 ZINC000503269228 300219677 /nfs/dbraw/zinc/21/96/77/300219677.db2.gz YJPXWFOTYNNHKC-VQIMIIECSA-N 2 0 316.493 2.579 20 0 DFADRP C/C(=C/c1ccc(Cl)cc1)C[NH2+]C[C@@H](C)N1CC[NH+](C)CC1 ZINC000513500543 300257834 /nfs/dbraw/zinc/25/78/34/300257834.db2.gz NAHGPFCBTHWFRL-RTYFKUQISA-N 2 0 321.896 2.969 20 0 DFADRP C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC000514730210 300268838 /nfs/dbraw/zinc/26/88/38/300268838.db2.gz KAQGPIOSMKFHQZ-YJBOKZPZSA-N 2 0 321.509 2.582 20 0 DFADRP C[C@@H]([NH2+]CC(C)(C)N1CCc2ccccc2C1)[C@@H]1CCC[NH2+]C1 ZINC000515634251 300315861 /nfs/dbraw/zinc/31/58/61/300315861.db2.gz UFBXIRNAXHIFPW-SJLPKXTDSA-N 2 0 315.505 2.801 20 0 DFADRP [NH3+]CCCCC(=O)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000515836428 300322072 /nfs/dbraw/zinc/32/20/72/300322072.db2.gz AVDBKSDCPBPOCL-INIZCTEOSA-N 2 0 323.868 2.722 20 0 DFADRP C[C@@H](C[NH2+]C[C@@H](O)Cc1cccc(Cl)c1)C[NH+]1CCCCC1 ZINC000516275112 300337916 /nfs/dbraw/zinc/33/79/16/300337916.db2.gz GYPGXYDXNRDSME-YJBOKZPZSA-N 2 0 324.896 2.955 20 0 DFADRP C[C@H]1C[C@@H](C(=O)N2CCC[C@@H]([NH+]3CCCCCC3)C2)CC[N@@H+]1C ZINC000377959379 300399135 /nfs/dbraw/zinc/39/91/35/300399135.db2.gz ZWEASXUBIRLLJY-OKZBNKHCSA-N 2 0 321.509 2.584 20 0 DFADRP OC1(C[NH2+][C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)CCCCC1 ZINC000517553754 300399352 /nfs/dbraw/zinc/39/93/52/300399352.db2.gz RLCSSWNNMVAFNW-VQIMIIECSA-N 2 0 316.445 2.527 20 0 DFADRP CC1CCC([NH2+]Cc2cccc(C(=O)NCC[NH+](C)C)c2)CC1 ZINC000519772844 300476420 /nfs/dbraw/zinc/47/64/20/300476420.db2.gz HRFYRWNQUGJCAO-UHFFFAOYSA-N 2 0 317.477 2.646 20 0 DFADRP C[C@H]([NH2+]C1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)C1CC(F)(F)C1 ZINC000529543395 300947667 /nfs/dbraw/zinc/94/76/67/300947667.db2.gz KOWHDFOJSOANNW-MAZHCROVSA-N 2 0 316.436 2.778 20 0 DFADRP CC[C@H](Cc1ccc(OC)c(OC)c1)[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000530178394 301026290 /nfs/dbraw/zinc/02/62/90/301026290.db2.gz KZVMOWLRQXLXOS-CRAIPNDOSA-N 2 0 318.461 2.899 20 0 DFADRP COc1cccc([C@H](C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)OC)c1 ZINC000530213104 301029317 /nfs/dbraw/zinc/02/93/17/301029317.db2.gz UZLFRHQJFIERCS-OKYOBFRVSA-N 2 0 318.461 2.893 20 0 DFADRP C[C@@H]([NH2+]CCc1cccc2c1OC(F)(F)O2)[C@@H]1CCC[NH2+]C1 ZINC000530215272 301029947 /nfs/dbraw/zinc/02/99/47/301029947.db2.gz GGRAPGGTKLLZLN-DGCLKSJQSA-N 2 0 312.360 2.528 20 0 DFADRP C[C@H](N[C@H]1CC[NH2+]C12CCC2)c1ccc(OCC[NH+](C)C)cc1 ZINC000530217035 301030254 /nfs/dbraw/zinc/03/02/54/301030254.db2.gz FKWAADONCAGAAL-YJBOKZPZSA-N 2 0 317.477 2.562 20 0 DFADRP Cn1cc2ccc(C[NH2+][C@@H]3CCC[C@@H]3[C@H]3CCCC[NH2+]3)cc2n1 ZINC000530217922 301030307 /nfs/dbraw/zinc/03/03/07/301030307.db2.gz JDZLEAAKRUZSHI-KZNAEPCWSA-N 2 0 312.461 2.974 20 0 DFADRP C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1[NH2+][C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000530222825 301031670 /nfs/dbraw/zinc/03/16/70/301031670.db2.gz HRNAHXNAUFOTFG-UYEMGMCASA-N 2 0 316.445 2.644 20 0 DFADRP CO[C@H](Cc1ccc(F)cc1)C[N@@H+]1CC2(C[C@H]1C)CC[NH2+]CC2 ZINC000530222986 301031862 /nfs/dbraw/zinc/03/18/62/301031862.db2.gz IYADKHUHSANPGP-CRAIPNDOSA-N 2 0 320.452 2.847 20 0 DFADRP Clc1cccc(C[NH+]2CCC(CO[C@@H]3CC[NH2+]C3)CC2)c1 ZINC000530238951 301033331 /nfs/dbraw/zinc/03/33/31/301033331.db2.gz QONAZQICKSNCON-QGZVFWFLSA-N 2 0 308.853 2.931 20 0 DFADRP CC(C)[C@H]([NH2+]CCN1CC[NH+](Cc2ccccc2)CC1)C1CC1 ZINC000531676602 301103714 /nfs/dbraw/zinc/10/37/14/301103714.db2.gz UABGVWPDUQXZQY-FQEVSTJZSA-N 2 0 315.505 2.828 20 0 DFADRP C[C@H]([NH2+]CCN1CC[C@H](C)C1)c1ccc(OCC[NH+](C)C)cc1 ZINC000531728696 301106860 /nfs/dbraw/zinc/10/68/60/301106860.db2.gz FCYUWWZRZXLFBZ-IRXDYDNUSA-N 2 0 319.493 2.619 20 0 DFADRP CC[NH+]1CCN([C@H](C)C[NH2+][C@H](C)c2ccc(C)cc2OC)CC1 ZINC000531946425 301120531 /nfs/dbraw/zinc/12/05/31/301120531.db2.gz PDZVHUITDYJBED-IAGOWNOFSA-N 2 0 319.493 2.680 20 0 DFADRP C[C@H](C[NH2+][C@H](CC1CC1)c1ccccc1)N1CC[NH+](C)CC1 ZINC000531959448 301121468 /nfs/dbraw/zinc/12/14/68/301121468.db2.gz WVHPVEKYDXADCV-VQIMIIECSA-N 2 0 301.478 2.753 20 0 DFADRP CC[C@@H]1CCC[C@@H]1[NH2+]Cc1cccnc1N1CC[NH+](C)CC1 ZINC000532210388 301136942 /nfs/dbraw/zinc/13/69/42/301136942.db2.gz DCWWEEQDDWUKCO-WBVHZDCISA-N 2 0 302.466 2.502 20 0 DFADRP Cc1nccn1CCC[NH2+][C@H](C)c1ccc2c(c1)CCC(=O)N2 ZINC000532476578 301155024 /nfs/dbraw/zinc/15/50/24/301155024.db2.gz SGCIOLVIZXPIPM-CYBMUJFWSA-N 2 0 312.417 2.817 20 0 DFADRP CCO[C@@H](C)c1nc(CN2CC[C@@H](c3nccn3C)C2)cs1 ZINC000533865546 301215061 /nfs/dbraw/zinc/21/50/61/301215061.db2.gz QBBMOESODRYKGC-QWHCGFSZSA-N 2 0 320.462 2.964 20 0 DFADRP COC(=O)c1coc(CN2CCC(Nc3ccccn3)CC2)c1 ZINC000534863561 301238569 /nfs/dbraw/zinc/23/85/69/301238569.db2.gz OSVSMAZIFJKMJT-UHFFFAOYSA-N 2 0 315.373 2.538 20 0 DFADRP CC[NH+]1CCN([C@@H]2CC[N@H+](C[C@@H]3CCCC(C)(C)C3)C2)CC1 ZINC000535087302 301248768 /nfs/dbraw/zinc/24/87/68/301248768.db2.gz JMHBHSGDNBIYNT-QZTJIDSGSA-N 2 0 307.526 2.915 20 0 DFADRP CCc1ccc(C[N@@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@@H](C)C2)s1 ZINC000536664472 301286845 /nfs/dbraw/zinc/28/68/45/301286845.db2.gz DLTACTDNTQXYPX-MAUKXSAKSA-N 2 0 321.534 2.768 20 0 DFADRP CC[C@H]([NH2+]CCCC[NH+]1C[C@@H](C)O[C@H](C)C1)C1CCOCC1 ZINC000536857491 301291693 /nfs/dbraw/zinc/29/16/93/301291693.db2.gz LPNYYEYFIQENNN-NUJGCVRESA-N 2 0 312.498 2.671 20 0 DFADRP CO[C@H](C)c1nc(CN2CC[C@@H](c3nccn3C)C2)cs1 ZINC000537705824 301309178 /nfs/dbraw/zinc/30/91/78/301309178.db2.gz IKILJCZPIYTCJP-VXGBXAGGSA-N 2 0 306.435 2.574 20 0 DFADRP CC[C@@H]1CCC[C@@H]1[NH2+]Cc1ccc(C(=O)NCC[NH+](C)C)cc1 ZINC000539072680 301337438 /nfs/dbraw/zinc/33/74/38/301337438.db2.gz ZWYHSCVEXNSNGO-AEFFLSMTSA-N 2 0 317.477 2.646 20 0 DFADRP O[C@@H]1CCC[C@@H]1[NH+]1CCC([NH2+]C2C3CC4CC(C3)CC2C4)CC1 ZINC000539059817 301337477 /nfs/dbraw/zinc/33/74/77/301337477.db2.gz ZNMYVIKELUBYJQ-SQNZVBIHSA-N 2 0 318.505 2.779 20 0 DFADRP CN1CC[NH+](CCCC[NH2+][C@H](c2ccc(F)cc2)C2CC2)CC1 ZINC000540263803 301360964 /nfs/dbraw/zinc/36/09/64/301360964.db2.gz ZEJXQYRUMICIFV-IBGZPJMESA-N 2 0 319.468 2.894 20 0 DFADRP C(C1CC1)[NH+]1CCC([NH2+][C@H]2CCO[C@@]3(CCSC3)C2)CC1 ZINC000540397263 301362481 /nfs/dbraw/zinc/36/24/81/301362481.db2.gz UKFFMIYDIFNGHU-IRXDYDNUSA-N 2 0 310.507 2.505 20 0 DFADRP C[C@H]([NH2+]CC1(C)CC[NH+](C)CC1)c1ccc2c(c1)CCC(=O)N2 ZINC000541881528 301401878 /nfs/dbraw/zinc/40/18/78/301401878.db2.gz BTTVYZRIDOFKIJ-AWEZNQCLSA-N 2 0 315.461 2.954 20 0 DFADRP C[NH+](C)CCOc1ccc(CC[NH2+][C@H]2CCC[C@H]3C[C@H]32)cc1 ZINC000549041314 301627792 /nfs/dbraw/zinc/62/77/92/301627792.db2.gz UBIIQZXPIINDDF-UHOSZYNNSA-N 2 0 302.462 2.948 20 0 DFADRP C[NH+](C)C1(CNC(=O)[C@@H]2C[C@H]3CCCC[C@H]3[NH2+]2)CCCCCC1 ZINC000554301102 301730226 /nfs/dbraw/zinc/73/02/26/301730226.db2.gz OPSAXOXQYVOLLD-ZACQAIPSSA-N 2 0 321.509 2.678 20 0 DFADRP C[C@H]([NH2+][C@H]1CC[C@H](O)CC1)c1cccc(OCC[NH+](C)C)c1 ZINC000560908065 301918090 /nfs/dbraw/zinc/91/80/90/301918090.db2.gz IPBJGPSJTRKDBD-XIRDDKMYSA-N 2 0 306.450 2.581 20 0 DFADRP c1cc(C[NH+]2CCCCC2)cc(-c2noc([C@@H]3CC34C[NH2+]C4)n2)c1 ZINC000562741988 301997808 /nfs/dbraw/zinc/99/78/08/301997808.db2.gz YRGCUURPQJUIFQ-INIZCTEOSA-N 2 0 324.428 2.799 20 0 DFADRP [NH3+][C@H](CCC(=O)NCC1([NH3+])CCCCCC1)c1ccccc1 ZINC000562805154 302004518 /nfs/dbraw/zinc/00/45/18/302004518.db2.gz ZTNVBSKPEHOFQM-MRXNPFEDSA-N 2 0 303.450 2.635 20 0 DFADRP CC[NH2+]CCC[NH2+][C@H](C)CC(=O)Nc1cc(Cl)ccc1C ZINC000562956341 302017552 /nfs/dbraw/zinc/01/75/52/302017552.db2.gz WDKBULCVSZPFDS-CYBMUJFWSA-N 2 0 311.857 2.955 20 0 DFADRP C[C@H]([NH2+]C[C@@H]1CCCN(Cc2cccs2)C1)[C@H]1CCC[NH2+]C1 ZINC000562959058 302018434 /nfs/dbraw/zinc/01/84/34/302018434.db2.gz QDNJHIDSCABAIA-ULQDDVLXSA-N 2 0 321.534 2.938 20 0 DFADRP C[NH+](C)Cc1ccccc1NC(=O)C1C[NH+](C2CCCCC2)C1 ZINC000562972427 302019797 /nfs/dbraw/zinc/01/97/97/302019797.db2.gz BDYCZNRUBBFVPP-UHFFFAOYSA-N 2 0 315.461 2.951 20 0 DFADRP C[NH+](C)Cc1ccc(C(=O)N(CCC[NH3+])CC2CCCC2)cc1 ZINC000563107847 302037895 /nfs/dbraw/zinc/03/78/95/302037895.db2.gz PBGFZHUORZJYKQ-UHFFFAOYSA-N 2 0 317.477 2.729 20 0 DFADRP [NH3+][C@H]1CCC[C@H]([NH2+]Cc2ccc(C(=O)N3CCCCC3)cc2)C1 ZINC000563424713 302071257 /nfs/dbraw/zinc/07/12/57/302071257.db2.gz LMBAGNKOSCEUGM-ROUUACIJSA-N 2 0 315.461 2.672 20 0 DFADRP CCN(C[C@@H]1CCC[N@@H+]1CC)C(=O)[C@H](C)[NH+]1[C@H](C)CC[C@H]1C ZINC000563492002 302076736 /nfs/dbraw/zinc/07/67/36/302076736.db2.gz CJOWTQBCWDYXPB-NCOADZHNSA-N 2 0 309.498 2.581 20 0 DFADRP [NH3+]C[C@H]1CC[C@H](C[NH2+]Cc2c[nH]nc2-c2cccs2)CC1 ZINC000563872538 302104452 /nfs/dbraw/zinc/10/44/52/302104452.db2.gz LEGLWJIAMNDJHU-JOCQHMNTSA-N 2 0 304.463 2.993 20 0 DFADRP Cc1ccc(C)c(OC[C@H](O)C[NH2+][C@H](C)C(C)(C)C[NH+](C)C)c1 ZINC000564319861 302128438 /nfs/dbraw/zinc/12/84/38/302128438.db2.gz QHRSVHKTZDFLIB-IAGOWNOFSA-N 2 0 322.493 2.609 20 0 DFADRP Cc1cccc(NC(=O)C[C@H](C)[NH2+][C@@H]2CCCC[C@H]2C[NH3+])c1 ZINC000564649640 302147073 /nfs/dbraw/zinc/14/70/73/302147073.db2.gz HVGJEGHEAZWQIB-YQQAZPJKSA-N 2 0 303.450 2.819 20 0 DFADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]C[C@]1(C)CCO[C@@H]1C1CC1 ZINC000564826620 302161644 /nfs/dbraw/zinc/16/16/44/302161644.db2.gz YZWCOCCVLNMAQC-RZAIGCCYSA-N 2 0 303.450 2.705 20 0 DFADRP CC(C)C[N@@H+]1CC[C@@H](C[NH2+]C[C@@H](O)CCc2ccccc2)C1 ZINC000564850277 302164366 /nfs/dbraw/zinc/16/43/66/302164366.db2.gz RUSAMNFJPDSPCM-OALUTQOASA-N 2 0 304.478 2.548 20 0 DFADRP CCOC[C@H](O)C[NH2+]Cc1ccccc1C[NH+]1CCCCCC1 ZINC000564856498 302165128 /nfs/dbraw/zinc/16/51/28/302165128.db2.gz MCHZVINJTRKPLH-LJQANCHMSA-N 2 0 320.477 2.550 20 0 DFADRP C[N@H+](CCC[NH3+])Cc1cn(-c2ccccc2)nc1-c1ccncc1 ZINC000564968757 302177864 /nfs/dbraw/zinc/17/78/64/302177864.db2.gz BTQPQYYIBUBDHC-UHFFFAOYSA-N 2 0 321.428 2.715 20 0 DFADRP CC[N@H+](C)C[C@@H](O)C[NH+]1CC[C@@](C)(CCc2ccccc2)C1 ZINC000565155535 302198856 /nfs/dbraw/zinc/19/88/56/302198856.db2.gz GHJWTQMSFBNBAY-RTBURBONSA-N 2 0 304.478 2.644 20 0 DFADRP [NH3+][C@H]1CCC[C@H]([NH2+]CCCc2nc(-c3ccncc3)cs2)C1 ZINC000565226735 302210305 /nfs/dbraw/zinc/21/03/05/302210305.db2.gz MQXYWBDYDMGAJO-GJZGRUSLSA-N 2 0 316.474 2.997 20 0 DFADRP C[C@H]([NH2+][C@@H](C)[C@@H]1CCC[NH2+]C1)c1ccc2c(c1)CCC(=O)N2 ZINC000565298506 302216276 /nfs/dbraw/zinc/21/62/76/302216276.db2.gz WNGGTANQQPDAQB-HEHGZKQESA-N 2 0 301.434 2.610 20 0 DFADRP c1ccc(CN2CC[C@H]([NH2+]C[C@H]3CCCO3)CC23CC3)cc1 ZINC000565304471 302216775 /nfs/dbraw/zinc/21/67/75/302216775.db2.gz ZBYFCQLLEBUACA-ZWKOTPCHSA-N 2 0 300.446 2.952 20 0 DFADRP [NH3+]C1C[C@H]2CCC[C@@H](C1)C2[NH2+][C@H]1CCN[C@@H](c2ccccc2)C1 ZINC000565409413 302223472 /nfs/dbraw/zinc/22/34/72/302223472.db2.gz HCDGXYRICRULIG-XGYUMRJFSA-N 2 0 313.489 2.975 20 0 DFADRP CCOC(=O)C1([C@H](C)[NH2+][C@H](C)Cc2ccsc2)CC[NH2+]CC1 ZINC000566089153 302258554 /nfs/dbraw/zinc/25/85/54/302258554.db2.gz AHQNQOOHPQONPF-KGLIPLIRSA-N 2 0 324.490 2.590 20 0 DFADRP C[C@@H](Cc1ccccc1)[NH+]1CCC([NH2+][C@@H]2CO[C@H](C)C2)CC1 ZINC000566219511 302268205 /nfs/dbraw/zinc/26/82/05/302268205.db2.gz DLKSJLPBRWWERZ-FCEWJHQRSA-N 2 0 302.462 2.849 20 0 DFADRP OCC1([NH2+]CC2CC2)CC[NH+]([C@H]2CCCc3ccccc32)CC1 ZINC000567170800 302341392 /nfs/dbraw/zinc/34/13/92/302341392.db2.gz LWKRIWZWPOSLHM-IBGZPJMESA-N 2 0 314.473 2.891 20 0 DFADRP COC1CC[NH+](C2(CN[C@H]3CCCCC[C@H]3[NH3+])CCCC2)CC1 ZINC000567579874 302369695 /nfs/dbraw/zinc/36/96/95/302369695.db2.gz OWKVXHUZBCTDCZ-MSOLQXFVSA-N 3 0 323.525 2.660 20 0 DFADRP COC[C@@H]([NH2+]CC1CC[NH2+]CC1)c1cccc(C(F)(F)F)c1 ZINC000567639005 302375441 /nfs/dbraw/zinc/37/54/41/302375441.db2.gz ICQDAZZTVKAUSJ-OAHLLOKOSA-N 2 0 316.367 2.982 20 0 DFADRP COCCCOc1cc(C)ccc1C[NH2+][C@H](C)[C@H]1CCC[NH2+]C1 ZINC000567642456 302375975 /nfs/dbraw/zinc/37/59/75/302375975.db2.gz DPTPXQBUICDPTN-SJORKVTESA-N 2 0 320.477 2.888 20 0 DFADRP [NH3+]C1CCC([NH2+]CCc2nc(-c3ccncc3)cs2)CC1 ZINC000567648434 302376329 /nfs/dbraw/zinc/37/63/29/302376329.db2.gz QXCBMLRLLJHARF-UHFFFAOYSA-N 2 0 302.447 2.607 20 0 DFADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+][C@H](c1nnc[nH]1)C1CCCCC1 ZINC000567655277 302376667 /nfs/dbraw/zinc/37/66/67/302376667.db2.gz XAUQHUGVHAJBKW-WUPYBSFASA-N 2 0 303.454 2.532 20 0 DFADRP C[C@@H]1C[C@H]([NH2+][C@@H]2CCN(Cc3ccccc3)C3(CC3)C2)CO1 ZINC000567853434 302392817 /nfs/dbraw/zinc/39/28/17/302392817.db2.gz AWJBXGMAPXCCCB-NXHRZFHOSA-N 2 0 300.446 2.951 20 0 DFADRP COc1ccc(OC2CC[NH+](C[C@H]3CCC[NH2+]C3)CC2)cc1 ZINC000567871575 302395177 /nfs/dbraw/zinc/39/51/77/302395177.db2.gz SNCVNTYWPHTQJS-HNNXBMFYSA-N 2 0 304.434 2.538 20 0 DFADRP CC(C)C[C@H](C[NH3+])Cc1nc(-c2ccc(C[NH+](C)C)cc2)no1 ZINC000568257542 302436205 /nfs/dbraw/zinc/43/62/05/302436205.db2.gz PYJNOZHXLVBSJC-HNNXBMFYSA-N 2 0 316.449 2.962 20 0 DFADRP Cc1ccc(C[NH2+]C2CCC([NH3+])CC2)c(OC[C@@H]2CCOC2)c1 ZINC000569229483 302506736 /nfs/dbraw/zinc/50/67/36/302506736.db2.gz FFAGQJZEHGOPBG-FAEJEUNOSA-N 2 0 318.461 2.770 20 0 DFADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+][C@@H]1CCC[C@@H](N2CCCC2=O)C1 ZINC000570699101 302588289 /nfs/dbraw/zinc/58/82/89/302588289.db2.gz PLFWFCCCSPLPSM-XMTFNYHQSA-N 2 0 321.509 2.820 20 0 DFADRP O[C@H](C[NH2+]CC1CCN(c2cc[nH+]cc2)CC1)CC1CCCC1 ZINC000571315146 302613249 /nfs/dbraw/zinc/61/32/49/302613249.db2.gz CGORTYWLLZJVCU-IBGZPJMESA-N 2 0 317.477 2.829 20 0 DFADRP CC[C@@H]1Oc2cc([C@H](C)[NH2+][C@H]3CCC[C@@H]([NH3+])C3)ccc2NC1=O ZINC000572378790 302659304 /nfs/dbraw/zinc/65/93/04/302659304.db2.gz RIYJUSCRWXOIDZ-AEIGPULVSA-N 2 0 317.433 2.717 20 0 DFADRP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@@H](C)c2cc(C)oc2C)CC1 ZINC000573669458 302716144 /nfs/dbraw/zinc/71/61/44/302716144.db2.gz ZZILWHHMCMRVLB-ZBFHGGJFSA-N 2 0 307.482 2.821 20 0 DFADRP FC(F)(F)c1ccn([C@@H]2CCC[N@H+](CC3CC[NH2+]CC3)C2)n1 ZINC000261949813 303119480 /nfs/dbraw/zinc/11/94/80/303119480.db2.gz NVRXZJKRWOZJSY-CYBMUJFWSA-N 2 0 316.371 2.538 20 0 DFADRP CCO[C@H]1C[C@@H]([NH2+]Cc2cccc(OCC[NH+](C)C)c2)C1(C)C ZINC000181524645 316062351 /nfs/dbraw/zinc/06/23/51/316062351.db2.gz DBIAPMIQHYBKBO-MSOLQXFVSA-N 2 0 320.477 2.920 20 0 DFADRP Cc1ccc(CCC[NH+]2CCC(C[NH+]3CCOCC3)CC2)cc1 ZINC000181559217 316063096 /nfs/dbraw/zinc/06/30/96/316063096.db2.gz XRNNSFREQXSDOX-UHFFFAOYSA-N 2 0 316.489 2.972 20 0 DFADRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@@H]1C[C@@H](OCC)C12CCCC2 ZINC000181875433 316076589 /nfs/dbraw/zinc/07/65/89/316076589.db2.gz LEURMSKCSJIKKW-BRWVUGGUSA-N 2 0 312.498 2.671 20 0 DFADRP C[C@@H]([NH2+]Cc1ccccc1C[N@@H+]1CC[C@H](O)C1)c1ccoc1 ZINC000182269544 316093602 /nfs/dbraw/zinc/09/36/02/316093602.db2.gz UEXNWHATSNJQAC-KDOFPFPSSA-N 2 0 300.402 2.697 20 0 DFADRP C[C@@H](C[NH2+][C@@H]1CCCc2cc(F)ccc21)CN1CCOCC1 ZINC000182999883 316126241 /nfs/dbraw/zinc/12/62/41/316126241.db2.gz ZJXAKMCYOSRYRO-KBXCAEBGSA-N 2 0 306.425 2.761 20 0 DFADRP C[C@H]([NH2+]CCOCC(F)(F)F)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185692479 316190663 /nfs/dbraw/zinc/19/06/63/316190663.db2.gz IOPNFCXSSKFLMO-QWHCGFSZSA-N 2 0 308.388 2.808 20 0 DFADRP CC(C)(C)OC(=O)N1CCC[C@H]([NH2+][C@@H]2CCN3CCCC[C@H]23)C1 ZINC000299872972 316235145 /nfs/dbraw/zinc/23/51/45/316235145.db2.gz QFDLEYNKCROZSX-ARFHVFGLSA-N 2 0 323.481 2.602 20 0 DFADRP C[C@H](CC[NH+](C)C)[NH2+][C@@H]1CCC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000299988605 316235858 /nfs/dbraw/zinc/23/58/58/316235858.db2.gz RTLFSPLVAGXDDX-KFWWJZLASA-N 2 0 313.486 2.752 20 0 DFADRP COc1cc2c(cc1C[N@@H+]1CCC[C@@H](CC[NH3+])C1)O[C@H](C)C2 ZINC000317068389 316246858 /nfs/dbraw/zinc/24/68/58/316246858.db2.gz ZJTOESVPZZCNPJ-KGLIPLIRSA-N 2 0 304.434 2.579 20 0 DFADRP c1ccc(C[N@@H+]2CCC[C@H](N[C@H]3CC[NH+]4CCC[C@H]4C3)C2)cc1 ZINC000336704708 316299607 /nfs/dbraw/zinc/29/96/07/316299607.db2.gz GUKZXMNAOKSLIG-UFYCRDLUSA-N 2 0 313.489 2.867 20 0 DFADRP CC/C=C\CC[NH+]1CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC1 ZINC000342203037 316311595 /nfs/dbraw/zinc/31/15/95/316311595.db2.gz FHHOWFHKCNVBOY-FPLPWBNLSA-N 2 0 323.525 2.759 20 0 DFADRP CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](c1ccc(C)cc1)[NH+](C)C ZINC000349145275 316339474 /nfs/dbraw/zinc/33/94/74/316339474.db2.gz RVXMVMHKRROBLR-ZWKOTPCHSA-N 2 0 317.477 2.588 20 0 DFADRP C[C@@H](CCc1ccsc1)[NH2+][C@@H](C)CCN1CC[NH+](C)CC1 ZINC000349401568 316356819 /nfs/dbraw/zinc/35/68/19/316356819.db2.gz DWMSZTCPOZPDMD-HOTGVXAUSA-N 2 0 309.523 2.685 20 0 DFADRP Cc1nn2c(C[NH2+]Cc3ccc([C@H](C)[NH3+])cc3)c(C)nc2s1 ZINC000414808544 316664552 /nfs/dbraw/zinc/66/45/52/316664552.db2.gz KYIPOBSNVQNASQ-JTQLQIEISA-N 2 0 315.446 2.717 20 0 DFADRP [NH3+]C[C@H]1CCC[C@H]1[NH2+]Cc1ccc(Br)c(F)c1 ZINC000414811865 316665084 /nfs/dbraw/zinc/66/50/84/316665084.db2.gz WTYQGSZVXPHGIL-ZWNOBZJWSA-N 2 0 301.203 2.805 20 0 DFADRP COc1ccc(-c2ccncc2)cc1C[NH2+][C@H]1CCC[C@@H]1C[NH3+] ZINC000414812968 316666125 /nfs/dbraw/zinc/66/61/25/316666125.db2.gz XVHVSPFSSGFAFL-AEFFLSMTSA-N 2 0 311.429 2.974 20 0 DFADRP CCC[NH+]1CCC(N(C)C(=O)NCC2([NH3+])CCCCCC2)CC1 ZINC000418289126 316719131 /nfs/dbraw/zinc/71/91/31/316719131.db2.gz XKVFLYYYHZEGKV-UHFFFAOYSA-N 2 0 324.513 2.554 20 0 DFADRP CC(C)[C@@H]1CCC[C@H](NC(=O)CCC[NH+]2CCC([NH3+])CC2)C1 ZINC000433117667 316878040 /nfs/dbraw/zinc/87/80/40/316878040.db2.gz PFKRMBVBCUMZOP-WBVHZDCISA-N 2 0 309.498 2.521 20 0 DFADRP CC(C)[C@@H](C[NH3+])C(=O)NC1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC000433129433 316878509 /nfs/dbraw/zinc/87/85/09/316878509.db2.gz NXYPMLCBJJZJPP-CRAIPNDOSA-N 2 0 317.477 2.559 20 0 DFADRP CC[C@@H](NC(=O)CCC[NH+]1CCC([NH3+])CC1)c1ccc(C)cc1 ZINC000433142315 316880630 /nfs/dbraw/zinc/88/06/30/316880630.db2.gz SWPSOZGOSULQAJ-GOSISDBHSA-N 2 0 317.477 2.766 20 0 DFADRP CC(C)(C)[C@@H]1CCCN(C(=O)CCC[NH+]2CCC([NH3+])CC2)CC1 ZINC000433143174 316880680 /nfs/dbraw/zinc/88/06/80/316880680.db2.gz XRLYPCMZCDNYGK-MRXNPFEDSA-N 2 0 323.525 2.865 20 0 DFADRP CCC[C@H]1CCC[C@H]1[NH2+]Cc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000433143494 316880803 /nfs/dbraw/zinc/88/08/03/316880803.db2.gz HONBHSPOXBHKDF-ZWKOTPCHSA-N 2 0 316.493 2.892 20 0 DFADRP CSc1ccccc1NC(=O)CCC[NH+]1CCC([NH3+])CC1 ZINC000433178643 316886090 /nfs/dbraw/zinc/88/60/90/316886090.db2.gz WUDADCMECBZYQZ-UHFFFAOYSA-N 2 0 307.463 2.550 20 0 DFADRP CC[NH+]1CCC(Nc2cccc3c2OCC[C@H]3[NH+](C)C)CC1 ZINC000435037856 316921824 /nfs/dbraw/zinc/92/18/24/316921824.db2.gz YHGJOUZQJOZULO-QGZVFWFLSA-N 2 0 303.450 2.968 20 0 DFADRP CC[C@H]([NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]12)[C@H](C)O ZINC000449546532 317039892 /nfs/dbraw/zinc/03/98/92/317039892.db2.gz WAILYJHITWEOCJ-SXXASDTRSA-N 2 0 302.462 2.646 20 0 DFADRP CC[C@H]([NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]12)[C@H](C)O ZINC000449546533 317040271 /nfs/dbraw/zinc/04/02/71/317040271.db2.gz WAILYJHITWEOCJ-YCVVXREPSA-N 2 0 302.462 2.646 20 0 DFADRP CC[NH+]1CCN([C@H]2CC[N@H+](CC/C=C/c3ccccc3)C2)CC1 ZINC000450384506 317088086 /nfs/dbraw/zinc/08/80/86/317088086.db2.gz BOFAARXQOBEEPG-FXVWLTTGSA-N 2 0 313.489 2.802 20 0 DFADRP CC[NH+]1CCN([C@H]2CC[N@H+](CC/C=C\c3ccccc3)C2)CC1 ZINC000450384507 317088109 /nfs/dbraw/zinc/08/81/09/317088109.db2.gz BOFAARXQOBEEPG-GFWYJJLOSA-N 2 0 313.489 2.802 20 0 DFADRP C[C@H](c1ccccc1)[C@@H](O)C[N@@H+]1CC[C@@H](Oc2ccncc2)C1 ZINC000450503448 317100554 /nfs/dbraw/zinc/10/05/54/317100554.db2.gz XPILOZQZZISAEN-LZQZEXGQSA-N 2 0 312.413 2.699 20 0 DFADRP COC[C@H]1CCCC[NH+]1CC(C)C[N@H+]1CCCC[C@@H]1COC ZINC000452039433 317121261 /nfs/dbraw/zinc/12/12/61/317121261.db2.gz OHOUKGXWKPBOSQ-QZTJIDSGSA-N 2 0 312.498 2.624 20 0 DFADRP COC1([C@@H](C)[NH2+]CCCC[NH+]2CCC(C)CC2)CCOCC1 ZINC000453068225 317159402 /nfs/dbraw/zinc/15/94/02/317159402.db2.gz XZHFSWZOYMPHGE-QGZVFWFLSA-N 2 0 312.498 2.672 20 0 DFADRP C[C@H](Cc1cnccn1)[NH2+]CC[C@@H](C)[N@H+](C)Cc1ccccc1 ZINC000453146608 317164553 /nfs/dbraw/zinc/16/45/53/317164553.db2.gz XIIUPJZVMXUQFX-IAGOWNOFSA-N 2 0 312.461 2.908 20 0 DFADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@H](O)C1CCC1 ZINC000453370082 317181224 /nfs/dbraw/zinc/18/12/24/317181224.db2.gz FKMVMLULXCJOBF-MNEFBYGVSA-N 2 0 302.462 2.648 20 0 DFADRP Cc1cnc(CC[NH2+]C2CC[NH+]([C@@H]3CCCC[C@H]3C)CC2)cn1 ZINC000453395869 317183149 /nfs/dbraw/zinc/18/31/49/317183149.db2.gz HZEBYUJYOLIVFB-DNVCBOLYSA-N 2 0 316.493 2.960 20 0 DFADRP C[C@@H](CC(=O)Nc1ccccc1)[NH2+]CCCC[N@H+](C)C1CC1 ZINC000453404447 317183755 /nfs/dbraw/zinc/18/37/55/317183755.db2.gz BGQBXAIZVVDCTG-HNNXBMFYSA-N 2 0 303.450 2.868 20 0 DFADRP COc1cc2c(c(C[NH2+]CCCC[N@H+](C)C3CC3)c1)O[C@@H](C)C2 ZINC000453591569 317191874 /nfs/dbraw/zinc/19/18/74/317191874.db2.gz CSBSUJPKYZVFRC-AWEZNQCLSA-N 2 0 318.461 2.983 20 0 DFADRP CC(C)N(C)c1ccc(C[NH2+]CCCC[N@H+](C)C2CC2)cn1 ZINC000453597427 317192734 /nfs/dbraw/zinc/19/27/34/317192734.db2.gz NKESJGSHAUUUSY-UHFFFAOYSA-N 2 0 304.482 2.890 20 0 DFADRP CC(C)[NH+]1CCC(O)(C[NH2+][C@H]2CS[C@H](C(C)(C)C)C2)CC1 ZINC000488434512 317392588 /nfs/dbraw/zinc/39/25/88/317392588.db2.gz PIJXNBPFXXIQFC-CABCVRRESA-N 2 0 314.539 2.732 20 0 DFADRP CC[NH+]1CCN([C@H](C)C[NH2+][C@H]2CS[C@H](C(C)(C)C)C2)CC1 ZINC000488472692 317396219 /nfs/dbraw/zinc/39/62/19/317396219.db2.gz XMOQJWXTDMRGBX-OAGGEKHMSA-N 2 0 313.555 2.522 20 0 DFADRP CC[NH2+]CC1CC[NH+](C[C@H](Cc2ccc(F)cc2)OC)CC1 ZINC000530210321 317775909 /nfs/dbraw/zinc/77/59/09/317775909.db2.gz JHFFJYZDKPGKIH-SFHVURJKSA-N 2 0 308.441 2.705 20 0 DFADRP CC(C)(C[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1)C(=O)N1CCCC1 ZINC000530226517 317777190 /nfs/dbraw/zinc/77/71/90/317777190.db2.gz RODGDBDUDNLMSI-YESZJQIVSA-N 2 0 321.509 2.535 20 0 DFADRP ClC1(Cl)C[C@H]1CC[NH+]1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000530240450 317777914 /nfs/dbraw/zinc/77/79/14/317777914.db2.gz LCMDYBIVBHVVHS-ZIAGYGMSSA-N 2 0 321.292 2.661 20 0 DFADRP CCc1cccc(C[NH+]2CCC(CO[C@H]3CC[NH2+]C3)CC2)c1 ZINC000530239346 317777967 /nfs/dbraw/zinc/77/79/67/317777967.db2.gz FIDXLIGOPDELPK-IBGZPJMESA-N 2 0 302.462 2.840 20 0 DFADRP Cc1cc(C[NH+]2CCC(CO[C@H]3CC[NH2+]C3)CC2)c(C)s1 ZINC000530242491 317778316 /nfs/dbraw/zinc/77/83/16/317778316.db2.gz TZGMEHKMJCYVKE-KRWDZBQOSA-N 2 0 308.491 2.955 20 0 DFADRP C[C@H](CC(=O)Nc1cccc(F)c1)[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000566092190 317937154 /nfs/dbraw/zinc/93/71/54/317937154.db2.gz OUMCIPWKOAGVAI-VMUDFCTBSA-N 2 0 319.424 2.521 20 0 DFADRP CC(C)OC[C@@H](O)C[NH2+]Cc1ccccc1C[NH+]1CCCCC1 ZINC000566109426 317937516 /nfs/dbraw/zinc/93/75/16/317937516.db2.gz QFUQEDILDZJRQI-IBGZPJMESA-N 2 0 320.477 2.548 20 0 DFADRP Cn1ccnc1[C@@H]([NH2+]C1CCC(C[NH3+])CC1)c1ccc(F)cc1 ZINC000571872554 317993730 /nfs/dbraw/zinc/99/37/30/317993730.db2.gz PWNUCMMOJGAZPA-IMRCBTMISA-N 2 0 316.424 2.756 20 0 DFADRP Brc1ccc2c(c1)CC[C@@H]([NH2+]CC1CC[NH2+]CC1)C2 ZINC000574510716 318022466 /nfs/dbraw/zinc/02/24/66/318022466.db2.gz XZYCJAULUGHFMN-MRXNPFEDSA-N 2 0 323.278 2.896 20 0 DFADRP Cc1ccc(C[NH+]2CC[C@H](C[N@H+](C)CCC3(O)CC3)C2)s1 ZINC000574576309 318025963 /nfs/dbraw/zinc/02/59/63/318025963.db2.gz KYFBYTWVLPHAPY-OAHLLOKOSA-N 2 0 308.491 2.725 20 0 DFADRP Cn1cncc1CCC[NH2+]C(C)(C)c1cc(C(F)(F)F)on1 ZINC000574819277 318042298 /nfs/dbraw/zinc/04/22/98/318042298.db2.gz ATACVUFDKTUQST-UHFFFAOYSA-N 2 0 316.327 2.884 20 0 DFADRP COc1ccc(C[C@H](C)C[N@@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)cc1F ZINC000575059147 318060378 /nfs/dbraw/zinc/06/03/78/318060378.db2.gz HWVKVNPNJILHJN-IMJJTQAJSA-N 2 0 306.425 2.554 20 0 DFADRP C[C@H](NC[C@H](c1ccco1)[NH+]1CCCCC1)[C@@H]1CCC[NH2+]C1 ZINC000575243644 318072202 /nfs/dbraw/zinc/07/22/02/318072202.db2.gz UXWFFPMVEVCHIK-GVDBMIGSSA-N 2 0 305.466 2.784 20 0 DFADRP Cc1cccc(NC(=O)C[C@H](C)[NH2+]CC2(C)CC[NH2+]CC2)c1 ZINC000575914842 318091330 /nfs/dbraw/zinc/09/13/30/318091330.db2.gz JDSIVBXDFGDAKR-HNNXBMFYSA-N 2 0 303.450 2.691 20 0 DFADRP COc1sc(C[NH2+][C@H](C)C[C@@H](C)[NH3+])cc1Br ZINC000575922597 318091712 /nfs/dbraw/zinc/09/17/12/318091712.db2.gz APODTTLMVLXPHF-HTQZYQBOSA-N 2 0 307.257 2.735 20 0 DFADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+]Cc1c[nH]nc1-c1cccs1 ZINC000576009994 318098622 /nfs/dbraw/zinc/09/86/22/318098622.db2.gz BPYBJGBAMUXLJQ-JHJIOBLFSA-N 2 0 302.447 2.744 20 0 DFADRP CCC[C@@H]([NH3+])C(=O)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000576181777 318109114 /nfs/dbraw/zinc/10/91/14/318109114.db2.gz DOZOIDMITHLFAW-CVEARBPZSA-N 2 0 323.868 2.721 20 0 DFADRP COCCCOc1cccc(C[NH2+][C@H](C)[C@@H]2CCC[NH2+]C2)c1 ZINC000576268694 318115075 /nfs/dbraw/zinc/11/50/75/318115075.db2.gz YZNJEVHILWCGTG-NVXWUHKLSA-N 2 0 306.450 2.580 20 0 DFADRP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+]Cc1ccc(-n2cncn2)cc1 ZINC000576338061 318119380 /nfs/dbraw/zinc/11/93/80/318119380.db2.gz IINDKVLZXAWUMM-NVXWUHKLSA-N 2 0 313.449 2.668 20 0 DFADRP Cc1cccc(OC[C@@H](O)C[NH2+][C@@H](CC[NH+](C)C)C(C)(C)C)c1 ZINC000577055191 318167949 /nfs/dbraw/zinc/16/79/49/318167949.db2.gz LMGUBXRIMZXAEN-WMZOPIPTSA-N 2 0 322.493 2.691 20 0 DFADRP C[C@H]([NH2+]CCc1cccc(Br)c1)[C@@H]1CCC[NH2+]C1 ZINC000577161756 318174730 /nfs/dbraw/zinc/17/47/30/318174730.db2.gz QAAARFVOGVOQIQ-GXTWGEPZSA-N 2 0 311.267 2.969 20 0 DFADRP C[C@H](NC(=O)[C@H](C)N1CCC[C@@H](C[NH3+])C1)c1ccc(Cl)cc1 ZINC000577280758 318182879 /nfs/dbraw/zinc/18/28/79/318182879.db2.gz MPIQHISIULJPQR-IHRRRGAJSA-N 2 0 323.868 2.576 20 0 DFADRP C[C@@H]1CCCC[N@@H+]1CCC1CCN(C(=O)[C@@H]([NH3+])C(C)(C)C)CC1 ZINC000577283495 318183135 /nfs/dbraw/zinc/18/31/35/318183135.db2.gz ZJXCVZGBYDEPMR-NVXWUHKLSA-N 2 0 323.525 2.863 20 0 DFADRP CC[C@@H]1C[N@H+](C[C@H](O)C[NH+](C)CC)CC[C@H]1c1ccccc1 ZINC000577454579 318193122 /nfs/dbraw/zinc/19/31/22/318193122.db2.gz NRJKOJKMFBTEHW-BHIYHBOVSA-N 2 0 304.478 2.815 20 0 DFADRP Cc1ccc(NC(=O)[C@@H](C)[NH+]2CCC(CC[NH3+])CC2)cc1F ZINC000577499221 318197436 /nfs/dbraw/zinc/19/74/36/318197436.db2.gz QMROLKCZJSISGN-CYBMUJFWSA-N 2 0 307.413 2.522 20 0 DFADRP [NH3+][C@H]1CCC[C@H]([NH2+]Cc2ccc(COC3CCOCC3)cc2)C1 ZINC000577527787 318199684 /nfs/dbraw/zinc/19/96/84/318199684.db2.gz BYYJVPKLLIQUKP-ROUUACIJSA-N 2 0 318.461 2.742 20 0 DFADRP Cc1ccc(C[NH2+]CCN2CC[N@@H+](C)C(C)(C)C2)c(Cl)c1 ZINC000577736313 318213503 /nfs/dbraw/zinc/21/35/03/318213503.db2.gz GRDYONZVPMWIOK-UHFFFAOYSA-N 2 0 309.885 2.764 20 0 DFADRP c1cc(N2CCC(C[NH2+]Cc3cnc(C4CC4)nc3)CC2)cc[nH+]1 ZINC000577833708 318219957 /nfs/dbraw/zinc/21/99/57/318219957.db2.gz SVGBLUBZCVSAOW-UHFFFAOYSA-N 2 0 323.444 2.755 20 0 DFADRP C[C@@H]([NH2+]Cc1ccc2c(c1)C[NH2+]CC2)[C@@H]1COc2ccccc21 ZINC000578137139 318240659 /nfs/dbraw/zinc/24/06/59/318240659.db2.gz UANCCHIRJLCPHL-KUHUBIRLSA-N 2 0 308.425 2.987 20 0 DFADRP C[C@H]1C[C@@H]([NH3+])CC[N@@H+]1CCC(=O)Nc1ccc(Cl)cc1F ZINC000578140001 318240685 /nfs/dbraw/zinc/24/06/85/318240685.db2.gz VQARRQABNHVJFY-JQWIXIFHSA-N 2 0 313.804 2.619 20 0 DFADRP C[C@H]1CC[NH2+]CC[C@@H]1[NH2+]Cc1cccc(NC(=O)C2CCC2)c1 ZINC000578756758 318283142 /nfs/dbraw/zinc/28/31/42/318283142.db2.gz LQYYZNKXSLUYTR-KSSFIOAISA-N 2 0 315.461 2.903 20 0 DFADRP COc1ccc(OC2CC[NH+](CC[C@H]3CC[NH2+]C3)CC2)cc1 ZINC000578851847 318289906 /nfs/dbraw/zinc/28/99/06/318289906.db2.gz WNHVXZHWZMUUOT-OAHLLOKOSA-N 2 0 304.434 2.538 20 0 DFADRP CC(C)Oc1ccc([C@H](C[NH2+][C@@H]2CCC[C@H]([NH3+])C2)N(C)C)cc1 ZINC000579258217 318318616 /nfs/dbraw/zinc/31/86/16/318318616.db2.gz GCLFOHVBAGTAAD-SCTDSRPQSA-N 2 0 319.493 2.936 20 0 DFADRP CC(C)[N@H+](CC[C@H]1CC[NH2+]C1)Cc1nc2ccccc2c(=O)[nH]1 ZINC000579455171 318331253 /nfs/dbraw/zinc/33/12/53/318331253.db2.gz XKTYZSZMOKIEMV-CQSZACIVSA-N 2 0 314.433 2.545 20 0 DFADRP [NH3+][C@H]1CCC[C@H]([NH2+]CCN2CCc3c(Cl)cccc3C2)C1 ZINC000579495163 318335405 /nfs/dbraw/zinc/33/54/05/318335405.db2.gz PHBPLOYWTPUQGR-GJZGRUSLSA-N 2 0 307.869 2.558 20 0 DFADRP [NH3+][C@H]1CCC[C@@H]([NH2+]CCN2CCc3c(Cl)cccc3C2)C1 ZINC000579495165 318335610 /nfs/dbraw/zinc/33/56/10/318335610.db2.gz PHBPLOYWTPUQGR-LSDHHAIUSA-N 2 0 307.869 2.558 20 0 DFADRP [NH3+]C[C@H]1CCC[C@@H]1[NH2+]Cc1cccc(NC(=O)C2CCC2)c1 ZINC000579580776 318340204 /nfs/dbraw/zinc/34/02/04/318340204.db2.gz HUYXQHKKEBCZCO-WBVHZDCISA-N 2 0 301.434 2.642 20 0 DFADRP [NH3+][C@H]1CCC[C@@H]([NH2+]CCCc2nc(-c3ccc(F)cc3)no2)C1 ZINC000579733949 318351791 /nfs/dbraw/zinc/35/17/91/318351791.db2.gz PYWFGUXDHBISFV-LSDHHAIUSA-N 2 0 318.396 2.668 20 0 DFADRP C[C@@H]1CC[C@H]([NH2+]CC2([NH3+])CCCCCC2)[C@H](n2cncn2)C1 ZINC000579944619 318364832 /nfs/dbraw/zinc/36/48/32/318364832.db2.gz HXWPKXFEYQQXTQ-OWCLPIDISA-N 2 0 305.470 2.649 20 0 DFADRP CC1CC[NH+](CCCC[NH2+]C[C@@H](O)COc2ccccc2)CC1 ZINC000579943289 318364848 /nfs/dbraw/zinc/36/48/48/318364848.db2.gz ITUUNDPZNPZTMZ-GOSISDBHSA-N 2 0 320.477 2.528 20 0 DFADRP C[C@@H]1C[C@H](N[C@H]2CCC[C@H]2C[NH3+])CC[N@@H+]1Cc1ccccc1 ZINC000379630137 323289090 /nfs/dbraw/zinc/28/90/90/323289090.db2.gz KUIMBJKFCQDXDD-LULLPPNCSA-N 2 0 301.478 2.757 20 0 DFADRP CCN(CCC[NH2+][C@@H]1CC[N@H+](C)C[C@H]1C)C(=O)OC(C)(C)C ZINC000382826388 323302194 /nfs/dbraw/zinc/30/21/94/323302194.db2.gz DGVDZPRJKPFBQG-HUUCEWRRSA-N 2 0 313.486 2.563 20 0 DFADRP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]CCc1ccc(Br)cc1 ZINC000383052260 323303457 /nfs/dbraw/zinc/30/34/57/323303457.db2.gz UNVSYVDAKWYUJG-DOMZBBRYSA-N 2 0 311.267 2.921 20 0 DFADRP c1ccc(COC[C@@H]2CC[N@@H+](CC[C@@H]3CCC[NH2+]C3)C2)cc1 ZINC000384051507 323305519 /nfs/dbraw/zinc/30/55/19/323305519.db2.gz UDQLTAACVRAHAO-PKOBYXMFSA-N 2 0 302.462 2.915 20 0 DFADRP C[N@H+](Cc1ccccc1)C1(CN[C@H]2CCC[NH2+]CC2)CCC1 ZINC000386926479 323321096 /nfs/dbraw/zinc/32/10/96/323321096.db2.gz SIYNMFSNWBOCNX-SFHVURJKSA-N 2 0 301.478 2.773 20 0 DFADRP CCN(C(=O)OC(C)(C)C)[C@H](C)C[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000387678990 323327165 /nfs/dbraw/zinc/32/71/65/323327165.db2.gz RTHCJJZURKMOPG-RBSFLKMASA-N 2 0 313.486 2.704 20 0 DFADRP C[N@H+](CC[C@@H]1CCC[NH2+]C1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000388742188 323332593 /nfs/dbraw/zinc/33/25/93/323332593.db2.gz CKIFIDSUGZSTKR-ICSRJNTNSA-N 2 0 315.505 2.973 20 0 DFADRP CC[NH+]1CCC(C[NH2+]C2CCN(c3ccccc3)CC2)CC1 ZINC000393392241 323348521 /nfs/dbraw/zinc/34/85/21/323348521.db2.gz PYVYZTOMWFRJHH-UHFFFAOYSA-N 2 0 301.478 2.977 20 0 DFADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC[C@@H]1CCC[NH+](C)C1 ZINC000398200968 323356563 /nfs/dbraw/zinc/35/65/63/323356563.db2.gz PMVXEASPAIHDRF-YZGWKJHDSA-N 2 0 315.505 2.828 20 0 DFADRP CC(C)[C@@H](C(=O)Nc1ccc(C[NH+]2CCCC2)cc1)[C@H](C)[NH3+] ZINC000399551554 323359449 /nfs/dbraw/zinc/35/94/49/323359449.db2.gz AAPIFWCTECGICR-WMLDXEAASA-N 2 0 303.450 2.840 20 0 DFADRP CC[NH+]1C[C@H](C)N(C(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)[C@@H](C)C1 ZINC000580345498 323373689 /nfs/dbraw/zinc/37/36/89/323373689.db2.gz KMAOGIQZMPUPEP-ULQDDVLXSA-N 2 0 321.509 2.582 20 0 DFADRP Cc1ccnc(C)c1NC(=O)NC[C@@H]1[NH2+]CCc2ccccc21 ZINC000580410379 323381322 /nfs/dbraw/zinc/38/13/22/323381322.db2.gz FKZKLLIJXHAKQV-INIZCTEOSA-N 2 0 310.401 2.707 20 0 DFADRP [NH3+]Cc1ccc(CNC(=O)CC[C@@H]([NH3+])CC2CCCCC2)cc1 ZINC000580553868 323402145 /nfs/dbraw/zinc/40/21/45/323402145.db2.gz LKXHGQZQIOKFHD-GOSISDBHSA-N 2 0 317.477 2.839 20 0 DFADRP COc1cc2c(cc1C[NH2+]C[C@@H]1CCC[C@@H]([NH3+])C1)O[C@@H](C)C2 ZINC000580629472 323412876 /nfs/dbraw/zinc/41/28/76/323412876.db2.gz ITKGLEDOOFTNLW-WOSRLPQWSA-N 2 0 304.434 2.626 20 0 DFADRP [NH3+]C[C@@H]1c2ccccc2CCN1C(=O)CC[C@H]([NH3+])c1ccccc1 ZINC000581312603 323505452 /nfs/dbraw/zinc/50/54/52/323505452.db2.gz YGNYTBQNJQNEEF-RBUKOAKNSA-N 2 0 323.440 2.551 20 0 DFADRP COc1cc2c(cc1C[NH2+]CCC[C@H]1CCC[NH2+]1)O[C@H](C)C2 ZINC000582713715 323723244 /nfs/dbraw/zinc/72/32/44/323723244.db2.gz NYEXPORBVRTDBJ-CJNGLKHVSA-N 2 0 304.434 2.640 20 0 DFADRP C[NH+](C)CCN(CC[NH+](C)C)Cc1csc2ccccc12 ZINC000582871891 323751390 /nfs/dbraw/zinc/75/13/90/323751390.db2.gz NQCBMXDWOCAFMV-UHFFFAOYSA-N 2 0 305.491 2.827 20 0 DFADRP OCc1ccccc1C[NH2+][C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000584166798 331849887 /nfs/dbraw/zinc/84/98/87/331849887.db2.gz CLJSURJRJXSQLT-ICSRJNTNSA-N 2 0 324.424 2.524 20 0 DFADRP C[C@H]([NH2+]CCC1=CC[NH2+]CC1)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000584345400 335650059 /nfs/dbraw/zinc/65/00/59/335650059.db2.gz VDCMMVBWWCRIOF-ZDUSSCGKSA-N 2 0 313.445 2.877 20 0 DFADRP C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2cc(-n3ccnc3)cs2)C1 ZINC000584378689 337232960 /nfs/dbraw/zinc/23/29/60/337232960.db2.gz UBKDAELLZZCJSH-PBHICJAKSA-N 2 0 316.474 2.850 20 0 DFADRP CC(C)[N@@H+]1CC[C@@H](CNC(=O)CC[C@H]([NH3+])CC2CCCCC2)C1 ZINC000584408163 337319561 /nfs/dbraw/zinc/31/95/61/337319561.db2.gz YXRLNSZGMXYION-ROUUACIJSA-N 2 0 323.525 2.911 20 0 DFADRP Cn1ncc2ccc(C[NH2+][C@@H]3CCC[C@H]3[C@@H]3CCCC[NH2+]3)cc21 ZINC000584404629 337319875 /nfs/dbraw/zinc/31/98/75/337319875.db2.gz CUJFYMQPOZTUOC-OKZBNKHCSA-N 2 0 312.461 2.974 20 0 DFADRP Cc1cc(C[NH3+])cc(NC(=O)N2C[C@@H]([NH+]3CCCC3)C[C@@H]2C)c1 ZINC000331932418 534174174 /nfs/dbraw/zinc/17/41/74/534174174.db2.gz LFQDOUYKBGKCMK-YOEHRIQHSA-N 2 0 316.449 2.544 20 0 DFADRP CC[NH+](CC)Cc1cccc(CNC(=O)[C@@H]([NH3+])C(C)(C)C)c1 ZINC000164165980 520755896 /nfs/dbraw/zinc/75/58/96/520755896.db2.gz HLMLFPFPUAIVIL-MRXNPFEDSA-N 2 0 305.466 2.518 20 0 DFADRP c1nc2ccccc2n1CCC[NH2+][C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000321472022 534536156 /nfs/dbraw/zinc/53/61/56/534536156.db2.gz WDHHLMLYEDJDKN-BRWVUGGUSA-N 2 0 312.461 2.937 20 0 DFADRP CCCC[C@H]([NH3+])C(=O)NC1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000154563579 521205676 /nfs/dbraw/zinc/20/56/76/521205676.db2.gz YXVFSHFYSJLPQO-YJBOKZPZSA-N 2 0 317.477 2.846 20 0 DFADRP CCC[C@](C)([NH3+])C(=O)NC[C@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000365006411 521276453 /nfs/dbraw/zinc/27/64/53/521276453.db2.gz FJKZHVISKSMAPC-WDYCEAGBSA-N 2 0 317.477 2.531 20 0 DFADRP CCC(CC)(C[NH3+])C(=O)N[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000154365181 521424128 /nfs/dbraw/zinc/42/41/28/521424128.db2.gz CXLJQNALCJANNR-QGZVFWFLSA-N 2 0 317.477 2.532 20 0 DFADRP C[N@H+](Cc1ccccc1)[C@@H]1CCC[NH+](CCC2OCCO2)CC1 ZINC000363839750 523352000 /nfs/dbraw/zinc/35/20/00/523352000.db2.gz ZNEMZVXEAIEJSM-GOSISDBHSA-N 2 0 318.461 2.736 20 0 DFADRP C[N@@H+]1CCC[C@@H](CNC(=O)CCC[NH3+])[C@@H]1c1cccc(Cl)c1 ZINC000364848653 523811311 /nfs/dbraw/zinc/81/13/11/523811311.db2.gz BOKSBQBMNJQLNC-YOEHRIQHSA-N 2 0 323.868 2.578 20 0 DFADRP Cc1ccc(CC2(O)CC[NH+](CC[C@@H]3CCC[N@H+]3C)CC2)cc1 ZINC000366368586 524280193 /nfs/dbraw/zinc/28/01/93/524280193.db2.gz GBOFSVLIPGLVRZ-IBGZPJMESA-N 2 0 316.489 2.849 20 0 DFADRP C[C@H](C[NH2+][C@@H]1CC[N@H+](C[C@H]2CCCO2)C[C@H]1C)c1nccs1 ZINC000365046486 524498488 /nfs/dbraw/zinc/49/84/88/524498488.db2.gz VJZSJZJRJPNNOQ-KLHDSHLOSA-N 2 0 323.506 2.726 20 0 DFADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]C[C@H]1Cc2ccccc2N(C)C1 ZINC000364852652 524916435 /nfs/dbraw/zinc/91/64/35/524916435.db2.gz ICRFNZGTFWRSIX-KONPQCLYSA-N 2 0 301.478 2.613 20 0 DFADRP CC1=CC[C@@H]([NH2+]Cc2cccc(C(=O)NCC[NH+](C)C)c2)CC1 ZINC000294445921 528122113 /nfs/dbraw/zinc/12/21/13/528122113.db2.gz YASBMFIODDIHFX-GOSISDBHSA-N 2 0 315.461 2.566 20 0 DFADRP CC[NH+](CC)C[C@H]1CC[N@H+](CCN2CCc3ccccc32)C1 ZINC000292531803 528184669 /nfs/dbraw/zinc/18/46/69/528184669.db2.gz PDFMLISUJRUUPI-QGZVFWFLSA-N 2 0 301.478 2.713 20 0 DFADRP CCCC[N@H+](C)CC1CCN(C(=O)C[C@@H]2CCCC[C@H]2[NH3+])CC1 ZINC000324289400 528336410 /nfs/dbraw/zinc/33/64/10/528336410.db2.gz IWHSZQWBLGRFSU-ZWKOTPCHSA-N 2 0 323.525 2.865 20 0 DFADRP CCC[NH2+][C@H](C)C(=O)NC[C@@H](c1ccc(C)cc1)[NH+]1CCCC1 ZINC000294719299 528554333 /nfs/dbraw/zinc/55/43/33/528554333.db2.gz BRVZHXWITNZJPK-AEFFLSMTSA-N 2 0 317.477 2.636 20 0 DFADRP CC[N@H+](Cc1ccc(C(=O)NCC[NH+](C)C2CC2)cc1)C(C)C ZINC000299670304 528776037 /nfs/dbraw/zinc/77/60/37/528776037.db2.gz OZJFVJCPDYNLCI-UHFFFAOYSA-N 2 0 317.477 2.741 20 0 DFADRP CC(C)[NH+]1CCC([N@H+](C)C[C@@H](O)Cc2ccc(F)cc2)CC1 ZINC000293076776 528991379 /nfs/dbraw/zinc/99/13/79/528991379.db2.gz MFJKUXUVOFOHIU-SFHVURJKSA-N 2 0 308.441 2.534 20 0 DFADRP CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Nc1cc(C)cc(C[NH3+])c1 ZINC000332650234 529304478 /nfs/dbraw/zinc/30/44/78/529304478.db2.gz NGOFPXYCHLEKDH-DLBZAZTESA-N 2 0 316.449 2.544 20 0 DFADRP CC[NH2+]CC1CC[NH+](Cc2cc(OC)c(OC)cc2C)CC1 ZINC000262062552 535459895 /nfs/dbraw/zinc/45/98/95/535459895.db2.gz FDUTXDNXXHWUQY-UHFFFAOYSA-N 2 0 306.450 2.834 20 0 DFADRP CCC[C@@](C)([NH3+])C(=O)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000262698416 535523810 /nfs/dbraw/zinc/52/38/10/535523810.db2.gz FWHGPAMVHZLZLM-FUHWJXTLSA-N 2 0 309.498 2.619 20 0 DFADRP CC[NH+](CC)[C@H](CNC(=O)CC[C@@H]1CCC[NH2+]1)c1ccccc1 ZINC000261898725 535670403 /nfs/dbraw/zinc/67/04/03/535670403.db2.gz OQHVQAKPBXOURO-ZWKOTPCHSA-N 2 0 317.477 2.718 20 0 DFADRP CC[NH+](CC)[C@H](CNC(=O)[C@H]1C[C@H](C)CC[NH2+]1)c1ccccc1 ZINC000261914406 535677205 /nfs/dbraw/zinc/67/72/05/535677205.db2.gz QPCTYBXYNWKMQD-KBAYOESNSA-N 2 0 317.477 2.574 20 0 DFADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+][C@H](C)c2cccc(OC)c2)CC1 ZINC000177295028 535708441 /nfs/dbraw/zinc/70/84/41/535708441.db2.gz MJEKMJRDEBTZEY-DLBZAZTESA-N 2 0 319.493 2.619 20 0 DFADRP CC[N@@H+]1CC[C@H]([NH2+]C2CCN(c3ccccc3)CC2)[C@@H](C)C1 ZINC000247110131 535768315 /nfs/dbraw/zinc/76/83/15/535768315.db2.gz QLGZXKRCFKXCJD-LPHOPBHVSA-N 2 0 301.478 2.975 20 0 DFADRP CCc1cccc(C)c1NC(=O)C[NH+]1CCC([C@@H](C)[NH3+])CC1 ZINC000261926395 535861910 /nfs/dbraw/zinc/86/19/10/535861910.db2.gz ITXTXMNRLGLPNC-CQSZACIVSA-N 2 0 303.450 2.555 20 0 DFADRP CCc1cccc(F)c1C[NH2+]CC1(O)CC[NH+](C(C)C)CC1 ZINC000354409240 535890808 /nfs/dbraw/zinc/89/08/08/535890808.db2.gz DEIDFUSPGIDUBL-UHFFFAOYSA-N 2 0 308.441 2.713 20 0 DFADRP CC[C@]1(C)CC[N@H+](CC(=O)NC[C@H](c2ccccc2)[NH+](C)C)C1 ZINC000354856994 535908549 /nfs/dbraw/zinc/90/85/49/535908549.db2.gz MWXCHMZIPZRCOL-IEBWSBKVSA-N 2 0 317.477 2.528 20 0 DFADRP CC[C@@]1(C)CC[N@H+](CC(=O)NC[C@H](c2ccccc2)[NH+](C)C)C1 ZINC000354856995 536048921 /nfs/dbraw/zinc/04/89/21/536048921.db2.gz MWXCHMZIPZRCOL-MJGOQNOKSA-N 2 0 317.477 2.528 20 0 DFADRP COc1cc(C[N@@H+]2CCC[C@@H]([C@H](C)[NH3+])C2)ccc1OC(F)F ZINC000261962978 536753230 /nfs/dbraw/zinc/75/32/30/536753230.db2.gz PBHHXFOXTXYXCJ-WCQYABFASA-N 2 0 314.376 2.856 20 0 DFADRP COc1ccccc1OC[C@H](C)C[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000358262965 537098028 /nfs/dbraw/zinc/09/80/28/537098028.db2.gz FYQASLQRXSLKNB-IKGGRYGDSA-N 2 0 318.461 2.927 20 0 DFADRP Cc1cccc2c1[nH+]cc(C)c2N1CC[NH+](C(C)(C)CO)CC1 ZINC000680894058 545558650 /nfs/dbraw/zinc/55/86/50/545558650.db2.gz JLLDFTKICPEWAO-UHFFFAOYSA-N 2 0 313.445 2.745 20 0 DFADRP CC[C@@H]1CN(C(=O)C(C)C)CC[C@@H]1[NH2+]CCC[NH+]1CCCCC1 ZINC000682029909 545779362 /nfs/dbraw/zinc/77/93/62/545779362.db2.gz HWPWNOUVHIUVOH-MSOLQXFVSA-N 2 0 323.525 2.735 20 0 DFADRP CC[NH+](CC)CCO[C@@H]1CC[N@@H+]([C@@H](C)c2cnc(C)nc2C)C1 ZINC000682069841 545787611 /nfs/dbraw/zinc/78/76/11/545787611.db2.gz AHIITMYDLYJWAS-DOTOQJQBSA-N 2 0 320.481 2.587 20 0 DFADRP C[C@H]1C[NH+](CCCNc2cc[nH+]c3c(O)cccc23)C[C@H](C)O1 ZINC000682238152 545821792 /nfs/dbraw/zinc/82/17/92/545821792.db2.gz KVZGKCOBHZBDEM-KBPBESRZSA-N 2 0 315.417 2.852 20 0 DFADRP C[NH+]1CCC(N2CC[C@@H]([NH2+]Cc3ccsc3Cl)C2)CC1 ZINC000682943417 545945132 /nfs/dbraw/zinc/94/51/32/545945132.db2.gz VXPQMKGBPSIHSI-CYBMUJFWSA-N 2 0 313.898 2.660 20 0 DFADRP C[C@H]1CCSCC[N@@H+]1Cc1ccc(OCC[NH+](C)C)cc1 ZINC000683001214 545957562 /nfs/dbraw/zinc/95/75/62/545957562.db2.gz PZLKXIWTZQSNBX-HNNXBMFYSA-N 2 0 308.491 2.954 20 0 DFADRP Cc1nn(-c2cc[nH+]cc2)cc1CNc1cc[nH+]c(C)c1Cl ZINC000683070615 545969711 /nfs/dbraw/zinc/96/97/11/545969711.db2.gz KWAWEVMYJMHGEA-UHFFFAOYSA-N 2 0 313.792 2.967 20 0 DFADRP CC[C@H]1CN(C(=O)C(C)C)CC[C@@H]1[NH2+]CCC[NH+](CC)CC ZINC000683142344 545979615 /nfs/dbraw/zinc/97/96/15/545979615.db2.gz PJTGWZDBWXCMGA-IRXDYDNUSA-N 2 0 311.514 2.591 20 0 DFADRP C[C@H]([NH2+]C[C@]1(CO)C[C@H]1c1ccc(F)cc1)C1CC[NH+](C)CC1 ZINC000683229780 545992959 /nfs/dbraw/zinc/99/29/59/545992959.db2.gz WHHBNVVOLDGXBA-JVPBZIDWSA-N 2 0 320.452 2.612 20 0 DFADRP OC[C@H](CC1CC1)[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000683691431 546076047 /nfs/dbraw/zinc/07/60/47/546076047.db2.gz GSPIFWKKACJGMV-HAGHYFMRSA-N 2 0 314.473 2.933 20 0 DFADRP C[NH+](C)CCOC1CC[NH+](Cc2ccc3cnccc3c2)CC1 ZINC000683828642 546103233 /nfs/dbraw/zinc/10/32/33/546103233.db2.gz MMQDJNZTALXBLS-UHFFFAOYSA-N 2 0 313.445 2.777 20 0 DFADRP CC[NH+]1CCC(C[NH2+]Cc2ncc(C(F)(F)F)s2)CC1 ZINC000683927621 546121806 /nfs/dbraw/zinc/12/18/06/546121806.db2.gz ROOVRCUWYZUNOU-UHFFFAOYSA-N 2 0 307.385 2.983 20 0 DFADRP CC(C)(CC[NH+]1CCCCCC1)[NH2+]C[C@@H]1CNc2ccnn2C1 ZINC000684199281 546171111 /nfs/dbraw/zinc/17/11/11/546171111.db2.gz ZXHGDHHPDOVBDT-INIZCTEOSA-N 2 0 319.497 2.559 20 0 DFADRP CO[C@@H]1CCC[C@H]([NH2+]Cc2ccccc2OCC[NH+](C)C)C1 ZINC000684373430 546203082 /nfs/dbraw/zinc/20/30/82/546203082.db2.gz ZNCKTMSEZOIAAP-DLBZAZTESA-N 2 0 306.450 2.674 20 0 DFADRP C[C@@H]1C[N@H+](CCCNc2cc[nH+]c3c(O)cccc23)CCCO1 ZINC000684590202 546248583 /nfs/dbraw/zinc/24/85/83/546248583.db2.gz GHAFOTDHVGHXHK-CQSZACIVSA-N 2 0 315.417 2.853 20 0 DFADRP C[C@@H]1C[N@@H+](CCCC[NH2+][C@H]2CCCc3cccnc32)C[C@H](C)O1 ZINC000684955322 546307898 /nfs/dbraw/zinc/30/78/98/546307898.db2.gz LCEOIKFROMBFFK-JZXOWHBKSA-N 2 0 317.477 2.938 20 0 DFADRP CN(CCC[NH+](C)C)Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000685452315 546352113 /nfs/dbraw/zinc/35/21/13/546352113.db2.gz LKQIJKZFQPYORH-UHFFFAOYSA-N 2 0 319.493 2.545 20 0 DFADRP CC[N@H+](CCC[NH+]1CCCC1)Cc1ccccc1-n1cncn1 ZINC000685459757 546353228 /nfs/dbraw/zinc/35/32/28/546353228.db2.gz XVSUVFYJBZBYAO-UHFFFAOYSA-N 2 0 313.449 2.575 20 0 DFADRP C[NH+](C)CCOc1ccc(C[NH2+][C@H](C2CC2)C(C)(C)CO)cc1 ZINC000685850934 546399948 /nfs/dbraw/zinc/39/99/48/546399948.db2.gz OSXICIKCDRWLJY-GOSISDBHSA-N 2 0 320.477 2.514 20 0 DFADRP CC[NH+](CC)Cc1ccc(C(=O)N[C@@H](C)C[N@H+](C)C(C)C)o1 ZINC000685889363 546406156 /nfs/dbraw/zinc/40/61/56/546406156.db2.gz JYVAUOKKEYVAFO-AWEZNQCLSA-N 2 0 309.454 2.580 20 0 DFADRP C[C@@H]([NH2+]CC1CC[NH+](C2CC2)CC1)c1ccc([S@@](C)=O)cc1 ZINC000278495240 214190975 /nfs/dbraw/zinc/19/09/75/214190975.db2.gz PYLVNPQLPJXZIM-JLCFBVMHSA-N 2 0 320.502 2.949 20 0 DFADRP COC[C@@H](Cc1ccccc1)[NH2+]CC1CC[NH+](C2CC2)CC1 ZINC000278558902 214237292 /nfs/dbraw/zinc/23/72/92/214237292.db2.gz WJGBQJKHRXGBIB-GOSISDBHSA-N 2 0 302.462 2.708 20 0 DFADRP C[C@H]1CCCC[N@@H+]1Cc1ccc(NC(=O)[C@@H]2CCC[NH2+]2)cc1 ZINC000078956882 185135315 /nfs/dbraw/zinc/13/53/15/185135315.db2.gz MVJUXCPAHFLLTF-YOEHRIQHSA-N 2 0 301.434 2.752 20 0 DFADRP [NH3+]Cc1ccc(C(=O)NCc2cccc(C[NH+]3CCCC3)c2)cc1 ZINC000164732725 197662938 /nfs/dbraw/zinc/66/29/38/197662938.db2.gz QIRCDCYMKPFSLC-UHFFFAOYSA-N 2 0 323.440 2.671 20 0 DFADRP C[C@H]([NH2+]CCOCC[NH+](C)C)c1ccc(OC(F)(F)F)cc1 ZINC000318516671 231171989 /nfs/dbraw/zinc/17/19/89/231171989.db2.gz ZQZYLVAIFKYZPJ-LBPRGKRZSA-N 2 0 320.355 2.814 20 0 DFADRP CC[NH+](CC)CC(=O)N1CCc2c1cccc2C[NH+]1CCCC1 ZINC000081422725 398348109 /nfs/dbraw/zinc/34/81/09/398348109.db2.gz RUZSRVAUJHVCAO-UHFFFAOYSA-N 2 0 315.461 2.513 20 0 DFADRP Cc1nccn1[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)NC2CCCCC2)C1 ZINC000591906857 398349988 /nfs/dbraw/zinc/34/99/88/398349988.db2.gz UAIGDBMBNWCKJO-WMLDXEAASA-N 2 0 318.465 2.666 20 0 DFADRP Cc1nccn1[C@H]1CCC[N@@H+](CC(=O)N(C)[C@H](C)CC(C)C)C1 ZINC000591906361 398350304 /nfs/dbraw/zinc/35/03/04/398350304.db2.gz LKIWUFPRYOIGLB-WBVHZDCISA-N 2 0 320.481 2.721 20 0 DFADRP [NH2+]=C(NC[C@@H](c1ccccc1)[NH+]1CCCC1)NC1CCCC1 ZINC000066242362 398363984 /nfs/dbraw/zinc/36/39/84/398363984.db2.gz HPAXDHXLMCZWNS-KRWDZBQOSA-N 2 0 300.450 2.880 20 0 DFADRP C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC000177462508 282190376 /nfs/dbraw/zinc/19/03/76/282190376.db2.gz YDZVERHYMSJHFF-JFIYKMOQSA-N 2 0 321.509 2.630 20 0 DFADRP Brc1ccsc1C[NH2+]CC[C@@H]1CCC[NH2+]C1 ZINC000087575928 185228688 /nfs/dbraw/zinc/22/86/88/185228688.db2.gz MDEMSLLTHBCSNG-JTQLQIEISA-N 2 0 303.269 2.990 20 0 DFADRP Cc1ccc(C[NH+](C)C)cc1NC(=O)[C@@H]1[NH2+]CCc2ccccc21 ZINC000237065621 398366351 /nfs/dbraw/zinc/36/63/51/398366351.db2.gz TYQXCJJVEFZSCI-LJQANCHMSA-N 2 0 323.440 2.882 20 0 DFADRP [NH3+]C[C@H]1CCCN(C(=O)c2ccc(Nc3cc[nH+]cc3)cc2)C1 ZINC000237887196 398374544 /nfs/dbraw/zinc/37/45/44/398374544.db2.gz KQSWEJTZVVHCNG-CQSZACIVSA-N 2 0 310.401 2.636 20 0 DFADRP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@@H+]2C[C@@H]1C[C@H]1c1ccccc1 ZINC000459352551 299086363 /nfs/dbraw/zinc/08/63/63/299086363.db2.gz HSXNRLPNUUETLU-LJDSDSDDSA-N 2 0 314.473 2.974 20 0 DFADRP CCc1nn(C)c(CC)c1C[NH+]1CCC(CC[NH+](C)C)CC1 ZINC000092381397 185314757 /nfs/dbraw/zinc/31/47/57/185314757.db2.gz GOIBBQGEIHSXEP-UHFFFAOYSA-N 2 0 306.498 2.709 20 0 DFADRP C[C@H]1C[NH+](CC2CC[NH+](Cc3cccc(O)c3)CC2)C[C@H](C)O1 ZINC000092587443 185327381 /nfs/dbraw/zinc/32/73/81/185327381.db2.gz XJWMCJMBRRPDJL-HOTGVXAUSA-N 2 0 318.461 2.713 20 0 DFADRP C[C@H]([NH2+]CCc1nccs1)c1ccc(OCC[NH+](C)C)cc1 ZINC000127834613 282959024 /nfs/dbraw/zinc/95/90/24/282959024.db2.gz MXQMRVWGNIZYKY-AWEZNQCLSA-N 2 0 319.474 2.977 20 0 DFADRP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+]1C[C@@H](C(N)=O)CC[C@@H]1C ZINC000329764344 282251691 /nfs/dbraw/zinc/25/16/91/282251691.db2.gz VPOZVZYUTQXCSM-JSGCOSHPSA-N 2 0 313.405 2.711 20 0 DFADRP C[NH+]1CCC(O)(C[NH2+]Cc2cnc(C3CCCCC3)s2)CC1 ZINC000084046312 398393364 /nfs/dbraw/zinc/39/33/64/398393364.db2.gz MEMODLGDPNETAH-UHFFFAOYSA-N 2 0 323.506 2.737 20 0 DFADRP C[NH+]1CCC2(CC1)C[N@H+](CCSCc1ccccc1)CCO2 ZINC000592185245 398398527 /nfs/dbraw/zinc/39/85/27/398398527.db2.gz WCMZCSDTKNCWRP-UHFFFAOYSA-N 2 0 320.502 2.716 20 0 DFADRP CN(CC1CC[NH+](C)CC1)C(=O)CC[C@@H]([NH3+])CC1CCCCC1 ZINC000584783007 398412282 /nfs/dbraw/zinc/41/22/82/398412282.db2.gz IJIWTLYXVGXODV-GOSISDBHSA-N 2 0 323.525 2.865 20 0 DFADRP Cc1cnn(CC[NH+]2CCC(C[NH+]3CCCCCC3)CC2)c1 ZINC000592418270 398423566 /nfs/dbraw/zinc/42/35/66/398423566.db2.gz YVLCAZSBDDFPES-UHFFFAOYSA-N 2 0 304.482 2.780 20 0 DFADRP COC(=O)c1ccc(C[N@@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)s1 ZINC000592492160 398433719 /nfs/dbraw/zinc/43/37/19/398433719.db2.gz SOOLSKXXNNXAAK-UONOGXRCSA-N 2 0 322.474 2.746 20 0 DFADRP COC(=O)c1ccccc1C[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000592491671 398433901 /nfs/dbraw/zinc/43/39/01/398433901.db2.gz GLJQQDWOIMKBIT-HOTGVXAUSA-N 2 0 316.445 2.685 20 0 DFADRP C[C@H](C(=O)NC[C@@H](c1ccccc1)[NH+](C)C)[NH+]1CCCCCC1 ZINC000025408051 398441158 /nfs/dbraw/zinc/44/11/58/398441158.db2.gz ZISWFZPRJGAMCP-AEFFLSMTSA-N 2 0 317.477 2.670 20 0 DFADRP CCc1cnc(CC[NH2+]C2CCN(c3cc[nH+]cc3)CC2)s1 ZINC000459435907 299106268 /nfs/dbraw/zinc/10/62/68/299106268.db2.gz XQXIGZQVCLDOKC-UHFFFAOYSA-N 2 0 316.474 2.902 20 0 DFADRP CC(C)CC[NH+]1CCC(C[NH2+]C2CCN(C3CC3)CC2)CC1 ZINC000459435635 299106000 /nfs/dbraw/zinc/10/60/00/299106000.db2.gz WLYIGAVNGACDTC-UHFFFAOYSA-N 2 0 307.526 2.961 20 0 DFADRP C[N@H+](C[C@H]1CC[NH+](Cc2ccccc2)C1)CC1(O)CCCC1 ZINC000309626914 529970913 /nfs/dbraw/zinc/97/09/13/529970913.db2.gz NPWUGQWHSYPYOO-GOSISDBHSA-N 2 0 302.462 2.745 20 0 DFADRP C[N@@H+]1CCC[C@]2(CC[NH+](C[C@@H](O)Cc3cccc(Cl)c3)C2)C1 ZINC000293043508 530065435 /nfs/dbraw/zinc/06/54/35/530065435.db2.gz SOTMEHQCTUPZNR-ROUUACIJSA-N 2 0 322.880 2.661 20 0 DFADRP C[N@@H+]1CCCC[C@@H]1CCN1CC[NH+](Cc2ccccc2)CC1 ZINC000309911021 530052263 /nfs/dbraw/zinc/05/22/63/530052263.db2.gz RZCOZPBKAMFTIJ-LJQANCHMSA-N 2 0 301.478 2.679 20 0 DFADRP C[N@@H+]1CCC[C@@]2(CC[NH+](CCC(=O)Nc3cccc(F)c3)C2)C1 ZINC000293036710 530059378 /nfs/dbraw/zinc/05/93/78/530059378.db2.gz RYFSKVWGZHELSX-GOSISDBHSA-N 2 0 319.424 2.572 20 0 DFADRP CSCC1(CC[NH2+]Cc2cc(C3CC[NH2+]CC3)no2)CC1 ZINC000596651353 398472190 /nfs/dbraw/zinc/47/21/90/398472190.db2.gz OPPQATRVYYODAZ-UHFFFAOYSA-N 2 0 309.479 2.765 20 0 DFADRP C[N@H+](CC1CCN(c2cc[nH+]cc2)CC1)C[C@@H]1CCCCO1 ZINC000367884999 282393542 /nfs/dbraw/zinc/39/35/42/282393542.db2.gz JDQQNUHPXPORTR-SFHVURJKSA-N 2 0 303.450 2.799 20 0 DFADRP COc1ccc(OC)c(CCC[NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)c1 ZINC000181779802 199350790 /nfs/dbraw/zinc/35/07/90/199350790.db2.gz YPKDLCZDSMPCRP-GDBMZVCRSA-N 2 0 306.450 2.709 20 0 DFADRP C[C@H]([NH2+]C[C@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1)c1cnn(C)c1 ZINC000090708595 398491861 /nfs/dbraw/zinc/49/18/61/398491861.db2.gz RTISBOQCHCKHSX-XYJFISCASA-N 2 0 312.461 2.981 20 0 DFADRP CC[N@@H+]1CCC[C@@H]1CN[C@H](C)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000272698703 210104469 /nfs/dbraw/zinc/10/44/69/210104469.db2.gz XYAIWDVVNNOZCC-MISYRCLQSA-N 2 0 315.505 2.971 20 0 DFADRP COc1ccc(C[NH2+]C[C@H]2CCC[N@H+](C)C2)cc1OC(F)F ZINC000068722684 398522039 /nfs/dbraw/zinc/52/20/39/398522039.db2.gz VZAXZKFHDNDWCQ-CYBMUJFWSA-N 2 0 314.376 2.728 20 0 DFADRP COC[C@@H](CCC[NH3+])[NH2+]Cc1cccc(Br)c1C ZINC000563422656 302070972 /nfs/dbraw/zinc/07/09/72/302070972.db2.gz AIWKXSNXXULZKK-CYBMUJFWSA-N 2 0 315.255 2.601 20 0 DFADRP CCOc1cc(C[NH2+]CC2(SC)CC[NH+](C)CC2)ccc1O ZINC000459564032 299134696 /nfs/dbraw/zinc/13/46/96/299134696.db2.gz PSVPXHNYRGKKMV-UHFFFAOYSA-N 2 0 324.490 2.708 20 0 DFADRP C[C@H]([NH2+]C[C@H](O)C(C)(C)C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272646136 210051501 /nfs/dbraw/zinc/05/15/01/210051501.db2.gz JDVCOJVRWJMXKH-SZMVWBNQSA-N 2 0 304.478 2.894 20 0 DFADRP CC[NH+]1CCN([C@@H](C)C[NH2+][C@H](C)c2ccc(OC)cc2C)CC1 ZINC000414067002 295762890 /nfs/dbraw/zinc/76/28/90/295762890.db2.gz PYLDIKHEVZRVCC-DLBZAZTESA-N 2 0 319.493 2.680 20 0 DFADRP C[C@@H]([NH2+]CC1CC[NH+](Cc2ccccc2)CC1)c1ccn(C)n1 ZINC000414085504 295765629 /nfs/dbraw/zinc/76/56/29/295765629.db2.gz YPNCIUJHMDYESF-MRXNPFEDSA-N 2 0 312.461 2.983 20 0 DFADRP COc1cc2c(cc1C[NH+]1CCC(CC[NH3+])CC1)O[C@@H](C)C2 ZINC000316967923 398533639 /nfs/dbraw/zinc/53/36/39/398533639.db2.gz HLFZWFOZOHNMEV-ZDUSSCGKSA-N 2 0 304.434 2.579 20 0 DFADRP CCO[C@@H]1C[C@@H]([NH2+]CCCCC[NH+]2CCCC2)[C@@H]1SC ZINC000459585358 299141237 /nfs/dbraw/zinc/14/12/37/299141237.db2.gz IAFHYRQVJSCQTM-OAGGEKHMSA-N 2 0 300.512 2.751 20 0 DFADRP CCO[C@H]1C[C@@H]([NH2+][C@@H](C)c2cccc(OCC[NH+](C)C)c2)C1 ZINC000414153298 295772720 /nfs/dbraw/zinc/77/27/20/295772720.db2.gz ZCMNXHXZULOESQ-QILLFSRXSA-N 2 0 306.450 2.845 20 0 DFADRP CC[NH+](CC)Cc1ccc(C(=O)N2CC[NH+](C(C)C)CC2)cc1 ZINC000034097424 398547301 /nfs/dbraw/zinc/54/73/01/398547301.db2.gz ZSXGHSBBKRVVCX-UHFFFAOYSA-N 2 0 317.477 2.695 20 0 DFADRP COCCCOc1cccc(C[NH2+]C[C@H]2CC[N@@H+](C(C)C)C2)c1 ZINC000069160168 398554165 /nfs/dbraw/zinc/55/41/65/398554165.db2.gz JZIZQCZJXOBQAX-GOSISDBHSA-N 2 0 320.477 2.922 20 0 DFADRP C[C@H]([NH2+][C@@H]1CCC[C@@H](CO)C1)c1cccc(OCC[NH+](C)C)c1 ZINC000414330852 295788486 /nfs/dbraw/zinc/78/84/86/295788486.db2.gz FGHZHPGCLBKDOG-LZLYRXPVSA-N 2 0 320.477 2.829 20 0 DFADRP C[NH+](C)Cc1cccc(C[NH2+]Cc2cnc3ccccc3n2)c1 ZINC000589838627 398579066 /nfs/dbraw/zinc/57/90/66/398579066.db2.gz XUNYSPQAYKIARP-UHFFFAOYSA-N 2 0 306.413 2.981 20 0 DFADRP CCOC(=O)C1(C)CCC([NH2+]Cc2ccc3c[nH+]cn3c2)CC1 ZINC000459663321 299158883 /nfs/dbraw/zinc/15/88/83/299158883.db2.gz WVYRGNRYHXUZCU-UHFFFAOYSA-N 2 0 315.417 2.936 20 0 DFADRP CC(=O)NCCc1ccc([C@H](C)[NH2+]CC(C)(C)C[NH+](C)C)cc1 ZINC000092719519 398596205 /nfs/dbraw/zinc/59/62/05/398596205.db2.gz QWBYZIWFWCVCTE-HNNXBMFYSA-N 2 0 319.493 2.604 20 0 DFADRP CCOC(=O)[C@H]1CC[C@H]([NH2+]CCC2(C[NH3+])CC2)c2ccccc21 ZINC000593318203 398597413 /nfs/dbraw/zinc/59/74/13/398597413.db2.gz BAQQGSWACDNMQG-IRXDYDNUSA-N 2 0 316.445 2.887 20 0 DFADRP C[N@H+](CCC1CCN(c2cc[nH+]cc2)CC1)CCC(C)(C)O ZINC000092821183 398602395 /nfs/dbraw/zinc/60/23/95/398602395.db2.gz QUAURADDXARCND-UHFFFAOYSA-N 2 0 305.466 2.781 20 0 DFADRP CCC[NH+](CCC)CCCC(=O)N1CCC[C@@H]([NH2+]C(C)C)C1 ZINC000593411690 398621035 /nfs/dbraw/zinc/62/10/35/398621035.db2.gz CXSFKEXFCYJACX-QGZVFWFLSA-N 2 0 311.514 2.878 20 0 DFADRP CC[C@H]1CCCCC[N@@H+]1CC(=O)NC1CC[NH+](C(C)C)CC1 ZINC000150743612 186062648 /nfs/dbraw/zinc/06/26/48/186062648.db2.gz JIHQOEACRYYCBT-KRWDZBQOSA-N 2 0 309.498 2.630 20 0 DFADRP C[NH+]1CCC(C[NH2+][C@@H]2CCC[C@H]3C[C@H]32)(N2CCCCC2)CC1 ZINC000374516922 282695407 /nfs/dbraw/zinc/69/54/07/282695407.db2.gz AHVREOQPZSIRBK-RCCFBDPRSA-N 2 0 305.510 2.715 20 0 DFADRP CC[C@H](C)[C@H]([NH3+])C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000155700945 186104532 /nfs/dbraw/zinc/10/45/32/186104532.db2.gz WIUQGLOXSRNGRW-MVJTYMMSSA-N 2 0 317.477 2.529 20 0 DFADRP CC[N@H+](C)C[C@@H]1CC[NH+](Cc2cccc(-c3cnn(C)c3)c2)C1 ZINC000093770555 398645169 /nfs/dbraw/zinc/64/51/69/398645169.db2.gz ZZQRHOAZZLLDSY-KRWDZBQOSA-N 2 0 312.461 2.861 20 0 DFADRP C[C@@H]1C[NH+](CCC2CC[NH+](Cc3ccn(C)c3)CC2)C[C@@H](C)O1 ZINC000093844291 398647064 /nfs/dbraw/zinc/64/70/64/398647064.db2.gz ANXSGWLRUZIRLS-IAGOWNOFSA-N 2 0 319.493 2.736 20 0 DFADRP C[C@@H]1C[C@H](C[NH+]2CCC(C(=O)Nc3ccccc3)CC2)CC[NH2+]1 ZINC000414675660 295814456 /nfs/dbraw/zinc/81/44/56/295814456.db2.gz GJKZFQLLCAKUQC-HZPDHXFCSA-N 2 0 315.461 2.725 20 0 DFADRP Cc1ccc(C)c(N2CC[NH+](C[C@H]3CC[NH2+][C@@H](C)C3)CC2)c1 ZINC000414678814 295815148 /nfs/dbraw/zinc/81/51/48/295815148.db2.gz RCRICBFJLPOSRJ-ROUUACIJSA-N 2 0 301.478 2.814 20 0 DFADRP CC[C@@H](C(=O)NC[C@@H](c1ccsc1)[NH+](C)C)[NH+](CC)CC ZINC000266864167 186363322 /nfs/dbraw/zinc/36/33/22/186363322.db2.gz VNDUWMGOOIGPDS-GJZGRUSLSA-N 2 0 311.495 2.587 20 0 DFADRP C[NH+](C)CCCCNC(=O)c1oc2ccccc2c1C[NH+](C)C ZINC000266841299 186355506 /nfs/dbraw/zinc/35/55/06/186355506.db2.gz OAZMCGKEBXZNTL-UHFFFAOYSA-N 2 0 317.433 2.566 20 0 DFADRP C[C@@H](CC(=O)Nc1cccc(F)c1)[NH2+]CC[C@H]1CCC[N@H+](C)C1 ZINC000459725043 299173428 /nfs/dbraw/zinc/17/34/28/299173428.db2.gz FNRVPNAOSJOUDT-LSDHHAIUSA-N 2 0 321.440 2.864 20 0 DFADRP CSc1ccc(C[N@H+](C)CC2CC[NH+](C[C@H](C)O)CC2)cc1 ZINC000171587925 197947422 /nfs/dbraw/zinc/94/74/22/197947422.db2.gz AJLQJXDBDTVQSJ-HNNXBMFYSA-N 2 0 322.518 2.933 20 0 DFADRP CC[N@@H+]1CC[C@H]([NH2+]Cc2ccccc2Cn2ccnc2)[C@H](C)C1 ZINC000268739287 186373151 /nfs/dbraw/zinc/37/31/51/186373151.db2.gz CQVKKUVMAMTAAL-APWZRJJASA-N 2 0 312.461 2.751 20 0 DFADRP CC[N@@H+]1CC[C@@H]([NH2+]Cc2ccccc2Cn2ccnc2)[C@@H](C)C1 ZINC000268739292 186373405 /nfs/dbraw/zinc/37/34/05/186373405.db2.gz CQVKKUVMAMTAAL-QFBILLFUSA-N 2 0 312.461 2.751 20 0 DFADRP Cc1ccccc1NC(=O)C[C@@H](C)[NH2+]CC[C@H]1CCC[NH2+]C1 ZINC000414829462 295823182 /nfs/dbraw/zinc/82/31/82/295823182.db2.gz AYTUXEXGRCJGPT-HZPDHXFCSA-N 2 0 303.450 2.691 20 0 DFADRP C[NH2+]C[C@H](C)C[NH2+][C@@H](C)CC(=O)Nc1ccc(C(C)C)cc1 ZINC000414830112 295823213 /nfs/dbraw/zinc/82/32/13/295823213.db2.gz BUWILYFCCYKXQM-GJZGRUSLSA-N 2 0 305.466 2.972 20 0 DFADRP Fc1ccc(C[NH2+]CC[C@@H]2CC[NH2+]C2)c(Br)c1 ZINC000414826808 295822857 /nfs/dbraw/zinc/82/28/57/295822857.db2.gz GEKXWGGNUYGISG-JTQLQIEISA-N 2 0 301.203 2.677 20 0 DFADRP COc1ccc(CC[C@@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1O ZINC000414835461 295823869 /nfs/dbraw/zinc/82/38/69/295823869.db2.gz UEDICVWSIAHENL-SLHHOWHOSA-N 2 0 304.434 2.595 20 0 DFADRP C[C@@H](Cc1ccccc1)C[NH+]1CCC([N@H+](C)CCCO)CC1 ZINC000182040476 199377861 /nfs/dbraw/zinc/37/78/61/199377861.db2.gz YBAQUDDQADYUKZ-KRWDZBQOSA-N 2 0 304.478 2.644 20 0 DFADRP Fc1ccc(Br)c(F)c1C[NH2+]CC[C@H]1CC[NH2+]C1 ZINC000414842983 295825205 /nfs/dbraw/zinc/82/52/05/295825205.db2.gz ZYQJPKWXACRYGC-SECBINFHSA-N 2 0 319.193 2.817 20 0 DFADRP c1sc(-c2ccccn2)nc1C[NH2+]CC[C@H]1CCC[NH2+]C1 ZINC000414854003 295826293 /nfs/dbraw/zinc/82/62/93/295826293.db2.gz SULGRPOHMYMCAM-CYBMUJFWSA-N 2 0 302.447 2.684 20 0 DFADRP C[C@H](C[NH3+])C[NH2+]Cc1cc(Cl)ccc1OC[C@H]1CCCO1 ZINC000414874157 295828832 /nfs/dbraw/zinc/82/88/32/295828832.db2.gz IJCNSOBBKRBPSD-IUODEOHRSA-N 2 0 312.841 2.582 20 0 DFADRP C[C@@H](C[NH3+])C[NH2+]Cc1cn(-c2ccccc2)nc1C(C)(C)C ZINC000414881767 295829751 /nfs/dbraw/zinc/82/97/51/295829751.db2.gz SRDFAVGADUDKEL-AWEZNQCLSA-N 2 0 300.450 2.854 20 0 DFADRP CCC[NH+]1CCC([NH2+]CCCN(C)C(=O)OC(C)(C)C)CC1 ZINC000120241214 282783030 /nfs/dbraw/zinc/78/30/30/282783030.db2.gz IOUUHUSWMKHPSK-UHFFFAOYSA-N 2 0 313.486 2.707 20 0 DFADRP Cn1cc(C[NH2+]C[C@]2(C)CCC[NH2+]C2)c(-c2cccs2)n1 ZINC000414897098 295831668 /nfs/dbraw/zinc/83/16/68/295831668.db2.gz DHKVOWACMGNJQP-MRXNPFEDSA-N 2 0 304.463 2.628 20 0 DFADRP C[C@H](Cn1cccn1)[NH2+]C[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000681089982 545594599 /nfs/dbraw/zinc/59/45/99/545594599.db2.gz JBEBIHZYTYJUKI-IEBWSBKVSA-N 2 0 312.461 2.773 20 0 DFADRP COc1ccc(-c2n[nH]cc2C[NH2+]CC2(C)CC[NH2+]CC2)cc1 ZINC000414899214 295832051 /nfs/dbraw/zinc/83/20/51/295832051.db2.gz HDIBNAQEKKDLBB-UHFFFAOYSA-N 2 0 314.433 2.565 20 0 DFADRP COc1ccc(C[NH2+]C[C@@]2(C)CCC[NH2+]C2)cc1OC(F)F ZINC000414897340 295831768 /nfs/dbraw/zinc/83/17/68/295831768.db2.gz DQXHJEQGFRQPAM-INIZCTEOSA-N 2 0 314.376 2.776 20 0 DFADRP COc1cccc(C[NH2+]CC2(C)CC[NH2+]CC2)c1OC(F)F ZINC000414908627 295833207 /nfs/dbraw/zinc/83/32/07/295833207.db2.gz QKMWMXVBMTXYKO-UHFFFAOYSA-N 2 0 314.376 2.776 20 0 DFADRP Cc1ccc(NC(=O)C[C@@H](C)[NH2+]CC[C@H]2CCC[NH2+]2)c(C)c1 ZINC000414903675 295832741 /nfs/dbraw/zinc/83/27/41/295832741.db2.gz KIULCWULKGDXAW-HZPDHXFCSA-N 2 0 303.450 2.752 20 0 DFADRP C[C@@]1(C[NH2+]Cc2ccc(OC(F)F)c(F)c2)CCC[NH2+]C1 ZINC000414912025 295833840 /nfs/dbraw/zinc/83/38/40/295833840.db2.gz UPFFDHRDVZBZFK-OAHLLOKOSA-N 2 0 302.340 2.906 20 0 DFADRP CC[N@@H+]1CC[C@@H](C[NH2+][C@H](C)CCc2ccc(OC)c(O)c2)C1 ZINC000277187228 213352768 /nfs/dbraw/zinc/35/27/68/213352768.db2.gz IJAZBIQXVYAYES-ZBFHGGJFSA-N 2 0 306.450 2.653 20 0 DFADRP CC1([NH2+]Cc2cccc(OCc3ccccn3)c2)CC[NH2+]CC1 ZINC000414947498 295838925 /nfs/dbraw/zinc/83/89/25/295838925.db2.gz WFGQZLLJTUODEG-UHFFFAOYSA-N 2 0 311.429 2.892 20 0 DFADRP CCN(CC)C(=O)[C@@H](C)[NH+]1CCC(CCC[NH+]2CCCC2)CC1 ZINC000121629098 282812731 /nfs/dbraw/zinc/81/27/31/282812731.db2.gz HYQJWKNLOAXHMU-QGZVFWFLSA-N 2 0 323.525 2.831 20 0 DFADRP CCCOc1cccc(C[NH2+]CC2(COC)CC[NH2+]CC2)c1 ZINC000414953721 295840315 /nfs/dbraw/zinc/84/03/15/295840315.db2.gz JZZJFCIUDJOUBS-UHFFFAOYSA-N 2 0 306.450 2.581 20 0 DFADRP c1cn2c(C[NH2+]CCC[C@H]3CCC[NH2+]3)c(C3CC3)nc2s1 ZINC000414963866 295841873 /nfs/dbraw/zinc/84/18/73/295841873.db2.gz DFSFTWMAPFRTKN-ZDUSSCGKSA-N 2 0 304.463 2.895 20 0 DFADRP CCOc1c(OC)cc(C[NH2+]CCC[C@@H]2CCC[NH2+]2)cc1OC ZINC000414980970 295843756 /nfs/dbraw/zinc/84/37/56/295843756.db2.gz XNAWGIFGVKTPSQ-OAHLLOKOSA-N 2 0 322.449 2.724 20 0 DFADRP CC1(C)C[NH2+]CC[C@@H]1[NH2+]Cc1ccc(OC[C@H]2CCCO2)cc1 ZINC000414982090 295843834 /nfs/dbraw/zinc/84/38/34/295843834.db2.gz YIUMUTQCNZZSIO-MSOLQXFVSA-N 2 0 318.461 2.722 20 0 DFADRP CC(C)[N@H+](C)CC1CC[NH+](CC(=O)NC2CCCCCC2)CC1 ZINC000590787009 398675368 /nfs/dbraw/zinc/67/53/68/398675368.db2.gz QNPKRRZFNGKOHF-UHFFFAOYSA-N 2 0 323.525 2.878 20 0 DFADRP Brc1cnc(C[NH2+]CCC[C@@H]2CCC[NH2+]2)s1 ZINC000414976913 295843457 /nfs/dbraw/zinc/84/34/57/295843457.db2.gz QRNSCHKLBFRZAX-SECBINFHSA-N 2 0 304.257 2.527 20 0 DFADRP C[C@H](CCc1ccc2c(c1)OCO2)[NH2+]C[C@H]1CCC[C@@H]([NH3+])C1 ZINC000414996549 295845234 /nfs/dbraw/zinc/84/52/34/295845234.db2.gz GMASENZCWUQOQB-VNQPRFMTSA-N 2 0 304.434 2.844 20 0 DFADRP [NH3+][C@@H]1CCC[C@@H](C[NH2+]Cc2c[nH]nc2-c2c(F)cccc2F)C1 ZINC000414994197 295844961 /nfs/dbraw/zinc/84/49/61/295844961.db2.gz LVYNWIMZYAPSIX-DGCLKSJQSA-N 2 0 320.387 2.962 20 0 DFADRP CC(C)(CCC[NH3+])[NH2+]Cc1ccc(OC[C@@H]2CCCO2)cc1 ZINC000415012315 295847136 /nfs/dbraw/zinc/84/71/36/295847136.db2.gz JKHAPVUVHUYNTP-KRWDZBQOSA-N 2 0 306.450 2.852 20 0 DFADRP CC(C)(CCC[NH3+])[NH2+]Cc1cnn(Cc2ccc(F)cc2)c1 ZINC000415006865 295846696 /nfs/dbraw/zinc/84/66/96/295846696.db2.gz AOUPMVSIWJWDAG-UHFFFAOYSA-N 2 0 304.413 2.678 20 0 DFADRP Fc1ccc([C@@H]2CC[NH2+]C[C@@H]2C[NH2+]C[C@@H]2CCSC2)cc1 ZINC000415008279 295846722 /nfs/dbraw/zinc/84/67/22/295846722.db2.gz SFECYCMHNCETNL-LXZKKBNFSA-N 2 0 308.466 2.862 20 0 DFADRP O=C1CCCN1CCC[N@@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000590819461 398680982 /nfs/dbraw/zinc/68/09/82/398680982.db2.gz JSIGAZVTMYGSGP-SFHVURJKSA-N 2 0 321.509 2.587 20 0 DFADRP COc1ccc(C[NH2+][C@H](C)CCCC[NH3+])c(Cl)c1OC ZINC000415019415 295847900 /nfs/dbraw/zinc/84/79/00/295847900.db2.gz VUXYCSRBDKSWNU-LLVKDONJSA-N 2 0 300.830 2.964 20 0 DFADRP C[C@H](CC(=O)Nc1cccc(F)c1)[NH2+]C[C@H]1CC[C@H](C[NH3+])CC1 ZINC000415020071 295847954 /nfs/dbraw/zinc/84/79/54/295847954.db2.gz GCYYEBBGDQSADH-RBSFLKMASA-N 2 0 321.440 2.898 20 0 DFADRP CCCCc1ccc(C(=O)N(CC[NH+](C)C)CC[NH+](C)C)cc1 ZINC000590817403 398680740 /nfs/dbraw/zinc/68/07/40/398680740.db2.gz DLUKPMZVGKFHPI-UHFFFAOYSA-N 2 0 319.493 2.595 20 0 DFADRP C[C@H](CC(=O)Nc1cccc(F)c1)[NH2+]C[C@H]1CCC[C@@H]([NH3+])C1 ZINC000415013249 295847367 /nfs/dbraw/zinc/84/73/67/295847367.db2.gz YHCXHXBOWRPLJW-VNHYZAJKSA-N 2 0 307.413 2.650 20 0 DFADRP COc1ccc(NC(=O)C[C@H](C)[NH2+][C@H](C)CCCC[NH3+])cc1 ZINC000415014474 295847423 /nfs/dbraw/zinc/84/74/23/295847423.db2.gz MHZRUFSJCMZFBI-KGLIPLIRSA-N 2 0 307.438 2.519 20 0 DFADRP COc1ccc(OC(F)F)c(C[NH2+][C@H]2CC[C@@H](C[NH3+])C2)c1 ZINC000415029160 295848807 /nfs/dbraw/zinc/84/88/07/295848807.db2.gz DJRCUDLUIOSVIU-PWSUYJOCSA-N 2 0 300.349 2.514 20 0 DFADRP Cn1cc(-c2ccc(C[NH2+]CC[C@H]3CCC[N@H+](C)C3)s2)cn1 ZINC000459785516 299192637 /nfs/dbraw/zinc/19/26/37/299192637.db2.gz OTBWIUQRPRLLFJ-CQSZACIVSA-N 2 0 318.490 2.970 20 0 DFADRP COc1sc(C[NH2+][C@H]2CC[C@H](C[NH3+])C2)cc1Br ZINC000415027731 295848592 /nfs/dbraw/zinc/84/85/92/295848592.db2.gz BKNIFKDSEUZYEO-IUCAKERBSA-N 2 0 319.268 2.736 20 0 DFADRP c1ccc(CC[C@@H]2CCC[C@@H]2[NH2+]C[C@H]2C[NH2+]CCCO2)cc1 ZINC000415030449 295848761 /nfs/dbraw/zinc/84/87/61/295848761.db2.gz CKRCIVDUSSMTOX-OTWHNJEPSA-N 2 0 302.462 2.756 20 0 DFADRP [NH3+]C[C@H]1CC[C@@H]([NH2+]Cc2cccc(OCc3ccccn3)c2)C1 ZINC000415043886 295850597 /nfs/dbraw/zinc/85/05/97/295850597.db2.gz SEPBTUZVNKEDKO-DOTOQJQBSA-N 2 0 311.429 2.878 20 0 DFADRP COc1ccc(Br)c(C[NH2+][C@@H]2CC[C@H](C[NH3+])C2)c1 ZINC000415045486 295850890 /nfs/dbraw/zinc/85/08/90/295850890.db2.gz UCPQICIPTSGAQD-CMPLNLGQSA-N 2 0 313.239 2.675 20 0 DFADRP Cc1nn(-c2ccc(F)cc2)c(C)c1C[NH2+][C@@H]1CC[C@@H](C[NH3+])C1 ZINC000415051732 295851650 /nfs/dbraw/zinc/85/16/50/295851650.db2.gz ZOZVJJATUKYUNJ-GDBMZVCRSA-N 2 0 316.424 2.845 20 0 DFADRP c1ccc(C[NH+]2CCCCCC2)c(CN[C@H]2CCC[NH2+]C2)c1 ZINC000415066721 295854192 /nfs/dbraw/zinc/85/41/92/295854192.db2.gz APDPHPQKMFAMTJ-IBGZPJMESA-N 2 0 301.478 2.904 20 0 DFADRP C[C@H]([NH2+]CCc1ccccc1OC(F)(F)F)[C@@H]1CC[NH2+]C1 ZINC000415078883 295855203 /nfs/dbraw/zinc/85/52/03/295855203.db2.gz HBZPNEMUTPIEPI-WCQYABFASA-N 2 0 302.340 2.715 20 0 DFADRP COc1ccc(CCC[NH2+][C@H](C)C[C@@H]2CCC[NH2+]2)cc1OC ZINC000415077026 295855047 /nfs/dbraw/zinc/85/50/47/295855047.db2.gz DORXXSNKSRLMEJ-ZBFHGGJFSA-N 2 0 306.450 2.757 20 0 DFADRP FC(F)(F)Oc1ccccc1CC[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000415085486 295856164 /nfs/dbraw/zinc/85/61/64/295856164.db2.gz QHCWMAYXPKTRON-CYBMUJFWSA-N 2 0 302.340 2.859 20 0 DFADRP COc1ccc([C@@H](CN[C@H]2CCC[NH2+]C2)[NH+]2CCCCC2)cc1 ZINC000415089003 295856524 /nfs/dbraw/zinc/85/65/24/295856524.db2.gz WBWMRLBQFNAIKG-PKOBYXMFSA-N 2 0 317.477 2.564 20 0 DFADRP C[C@H](C[C@H]1CCC[NH2+]1)[NH2+][C@@H](C)c1cccc(N2CCCC2=O)c1 ZINC000415089076 295856527 /nfs/dbraw/zinc/85/65/27/295856527.db2.gz XHIPTYUXAMUSOB-HLLBOEOZSA-N 2 0 315.461 2.995 20 0 DFADRP C[C@@H]1C[C@H](C[NH2+][C@H]2CCO[C@@H]2c2ccc(F)c(F)c2)CC[NH2+]1 ZINC000415085606 295856105 /nfs/dbraw/zinc/85/61/05/295856105.db2.gz ILFFRMZADBSQDU-YQPCPPDFSA-N 2 0 310.388 2.773 20 0 DFADRP C[C@@H](CC[NH+](C)C)NC(=O)c1oc2ccccc2c1C[NH+](C)C ZINC000073643754 398692557 /nfs/dbraw/zinc/69/25/57/398692557.db2.gz YAAYBRJDONJGTP-ZDUSSCGKSA-N 2 0 317.433 2.564 20 0 DFADRP C[C@H]([NH2+]C1CCC([NH3+])CC1)c1nc(-c2cccc(F)c2)no1 ZINC000415112713 295859764 /nfs/dbraw/zinc/85/97/64/295859764.db2.gz VVNBKGAZPZCSEX-FNBIGBAISA-N 2 0 304.369 2.796 20 0 DFADRP CCOc1ccc(C[NH+]2CCC([C@@H]3C[C@@H]([NH3+])CCO3)CC2)cc1 ZINC000415121252 295860874 /nfs/dbraw/zinc/86/08/74/295860874.db2.gz HWDZWBSNPBZWLL-HKUYNNGSSA-N 2 0 318.461 2.804 20 0 DFADRP C[C@@H]([NH2+]Cc1ccc(OCCC[NH+](C)C)cc1)c1cnn(C)c1 ZINC000174438217 198334413 /nfs/dbraw/zinc/33/44/13/198334413.db2.gz JPZDURBJFZDOBY-OAHLLOKOSA-N 2 0 316.449 2.601 20 0 DFADRP Cc1ccc(F)c(C[NH+]2CCC([C@@H]3C[C@@H]([NH3+])CCO3)CC2)c1 ZINC000415124360 295861562 /nfs/dbraw/zinc/86/15/62/295861562.db2.gz MNWZWHWIEBHVMO-WMZOPIPTSA-N 2 0 306.425 2.852 20 0 DFADRP [NH3+][C@@H]1CCCO[C@@H]1C1CC[NH+](C/C=C\c2ccccc2)CC1 ZINC000415127473 295862149 /nfs/dbraw/zinc/86/21/49/295862149.db2.gz NGRIBSDABMVRMY-HUPPCRNXSA-N 2 0 300.446 2.918 20 0 DFADRP COCCCOc1cccc(C[NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)c1 ZINC000174517512 198346234 /nfs/dbraw/zinc/34/62/34/198346234.db2.gz PDQRMTIQJIKFNS-WBVHZDCISA-N 2 0 306.450 2.674 20 0 DFADRP C[C@@H]([NH2+]CC1CC[NH+](C)CC1)c1cccc(N2CCOC2=O)c1 ZINC000126274355 282905416 /nfs/dbraw/zinc/90/54/16/282905416.db2.gz RYBOTJQGXMMWJJ-CQSZACIVSA-N 2 0 317.433 2.636 20 0 DFADRP CCC[NH+]1CCC(N(C)C(=O)[C@@H](C)[C@H]([NH3+])c2ccccc2)CC1 ZINC000236774727 202002409 /nfs/dbraw/zinc/00/24/09/202002409.db2.gz JZVLRGCIBLVUTB-YJBOKZPZSA-N 2 0 317.477 2.655 20 0 DFADRP CC(C)[C@H]([NH3+])C(=O)Nc1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000236795796 202013949 /nfs/dbraw/zinc/01/39/49/202013949.db2.gz IDFVLCRHLZIRFE-YOEHRIQHSA-N 2 0 303.450 2.840 20 0 DFADRP CCC[C@@H]([NH3+])C(=O)Nc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000236799076 202015312 /nfs/dbraw/zinc/01/53/12/202015312.db2.gz WCZYGMDGVACBEH-RHSMWYFYSA-N 2 0 303.450 2.984 20 0 DFADRP CC[NH+]1CCN(CCC[NH2+][C@H]2CCC[C@H](C(F)(F)F)C2)CC1 ZINC000129276905 283009151 /nfs/dbraw/zinc/00/91/51/283009151.db2.gz HLSUTNSRUDRCHA-GJZGRUSLSA-N 2 0 321.431 2.725 20 0 DFADRP CC[NH+]1CCN(CCC[NH2+][C@H]2CCCc3cc(F)ccc32)CC1 ZINC000182407498 199433180 /nfs/dbraw/zinc/43/31/80/199433180.db2.gz JZGOXEDNIGRUEJ-IBGZPJMESA-N 2 0 319.468 2.820 20 0 DFADRP C[C@H]1CCCC[N@@H+]1Cc1ccc(NC(=O)[C@H]2CC[NH+](C)C2)cc1 ZINC000591097019 398726672 /nfs/dbraw/zinc/72/66/72/398726672.db2.gz LUOQRRZGNQVRKZ-RDJZCZTQSA-N 2 0 315.461 2.951 20 0 DFADRP CC[C@@H]([NH3+])C(=O)Nc1ccc2c(ccn2CC[NH+](CC)CC)c1 ZINC000130399821 283048043 /nfs/dbraw/zinc/04/80/43/283048043.db2.gz ZGSWQNIIQQGXBT-MRXNPFEDSA-N 2 0 316.449 2.659 20 0 DFADRP CC[NH+](CC)[C@@H](CNC(=O)C[N@H+](CC)C1CC1)c1ccccc1 ZINC000130699861 283058046 /nfs/dbraw/zinc/05/80/46/283058046.db2.gz CMBYDJREODXVSR-SFHVURJKSA-N 2 0 317.477 2.670 20 0 DFADRP CC[C@@H]1CCCCN1C(=O)[C@H](C)[N@H+](C)CCCn1ccnc1C ZINC000130742861 283059167 /nfs/dbraw/zinc/05/91/67/283059167.db2.gz XIQQLRSCOXTOTP-DOTOQJQBSA-N 2 0 320.481 2.693 20 0 DFADRP C[NH2+]Cc1ccccc1NC(=O)NCC(C)(C)[NH+]1CCCCC1 ZINC000415901438 295899791 /nfs/dbraw/zinc/89/97/91/295899791.db2.gz NFKZUJYIBWUBAD-UHFFFAOYSA-N 2 0 318.465 2.792 20 0 DFADRP CC(C)[C@@H](CC[N@H+](C)CCn1ccnc1)NC(=O)OC(C)(C)C ZINC000131631637 283092181 /nfs/dbraw/zinc/09/21/81/283092181.db2.gz VEEGTWMAJOJCKW-OAHLLOKOSA-N 2 0 324.469 2.754 20 0 DFADRP C[NH2+]Cc1cccc(NC(=O)NCC2(C[NH+](C)C)CCCC2)c1 ZINC000415925321 295902823 /nfs/dbraw/zinc/90/28/23/295902823.db2.gz AFVZYDGHLGQVAP-UHFFFAOYSA-N 2 0 318.465 2.650 20 0 DFADRP CC(C)CC[NH+]1CCC(C[NH2+]Cc2c(Cl)cnn2C)CC1 ZINC000132024133 283108218 /nfs/dbraw/zinc/10/82/18/283108218.db2.gz RPZWYMQPPUFPBC-UHFFFAOYSA-N 2 0 312.889 2.921 20 0 DFADRP CC(C)[NH+]1CCC([NH2+][C@H](C)c2ccc(NC(N)=O)cc2)CC1 ZINC000236821771 202026460 /nfs/dbraw/zinc/02/64/60/202026460.db2.gz INFMSEDLKLRHJB-CYBMUJFWSA-N 2 0 304.438 2.701 20 0 DFADRP C[C@H]1CCC[C@H](C)[NH+]1CCNC(=O)Nc1ccc(C[NH3+])cc1 ZINC000415968021 295907306 /nfs/dbraw/zinc/90/73/06/295907306.db2.gz CAIRREJSNYVRGB-KBPBESRZSA-N 2 0 304.438 2.530 20 0 DFADRP C[NH2+]Cc1ccc(NC(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)cc1 ZINC000415971517 295907620 /nfs/dbraw/zinc/90/76/20/295907620.db2.gz KDZVQYGTQSBFCO-INIZCTEOSA-N 2 0 320.481 2.894 20 0 DFADRP Cn1nccc1C[NH2+]Cc1ccccc1C[N@H+](C)Cc1ccco1 ZINC000080204925 192011986 /nfs/dbraw/zinc/01/19/86/192011986.db2.gz NCDKYRWSXXRJLH-UHFFFAOYSA-N 2 0 324.428 2.935 20 0 DFADRP CC[NH+](CC)CC1CC[NH+](CC(=O)N2C[C@H](C)C[C@@H](C)C2)CC1 ZINC000047977835 398767091 /nfs/dbraw/zinc/76/70/91/398767091.db2.gz GVHHRZABLJNWTK-IAGOWNOFSA-N 2 0 323.525 2.545 20 0 DFADRP CCCC[N@H+](C)CC1CC[NH+](Cc2cc(C(N)=O)cs2)CC1 ZINC000134172244 283175409 /nfs/dbraw/zinc/17/54/09/283175409.db2.gz UVHQGSYWAZFTRT-UHFFFAOYSA-N 2 0 323.506 2.791 20 0 DFADRP CC[C@@H]([NH2+][C@H]1CC12CC[NH2+]CC2)c1ccc(C(=O)OC)cc1 ZINC000591580014 398773965 /nfs/dbraw/zinc/77/39/65/398773965.db2.gz GUVARVLKRZNEFR-CVEARBPZSA-N 2 0 302.418 2.656 20 0 DFADRP COC(=O)CCC[C@@H]1CCC[C@@H]([NH2+][C@H]2CC23CC[NH2+]CC3)C1 ZINC000591581278 398773985 /nfs/dbraw/zinc/77/39/85/398773985.db2.gz PJHFGNIRECWSRO-XHSDSOJGSA-N 2 0 308.466 2.620 20 0 DFADRP CC[NH+]1CCC(N(C)C(=O)C[C@@H](c2ccccc2)[NH+](C)C)CC1 ZINC000416149000 295924570 /nfs/dbraw/zinc/92/45/70/295924570.db2.gz VSSKRYZMUKUDET-SFHVURJKSA-N 2 0 317.477 2.622 20 0 DFADRP CC[NH+](CC)CCOC1CC[NH+](CCOC(C)(C)C)CC1 ZINC000075007523 398780028 /nfs/dbraw/zinc/78/00/28/398780028.db2.gz PPHDJQVQSOXBHQ-UHFFFAOYSA-N 2 0 300.487 2.624 20 0 DFADRP CC[NH+](CC)[C@H](CNC(=O)[C@@H]([NH3+])c1ccccc1)CC(C)C ZINC000236879743 202049567 /nfs/dbraw/zinc/04/95/67/202049567.db2.gz OJPOSIKVDHQHHH-IRXDYDNUSA-N 2 0 305.466 2.559 20 0 DFADRP CC[NH+](CC)[C@H](CNC(=O)[C@H]([NH3+])c1ccccc1)CC(C)C ZINC000236884056 202051149 /nfs/dbraw/zinc/05/11/49/202051149.db2.gz OJPOSIKVDHQHHH-DLBZAZTESA-N 2 0 305.466 2.559 20 0 DFADRP CCCC[C@@H](C[NH3+])NC(=O)c1oc2ccccc2c1C[NH+](C)C ZINC000236895369 202058162 /nfs/dbraw/zinc/05/81/62/202058162.db2.gz RLACIUZLHIXOKK-ZDUSSCGKSA-N 2 0 317.433 2.742 20 0 DFADRP CC[NH+]1CCN(CCC[NH2+]Cc2ccc([C@H]3C[C@@H]3C)o2)CC1 ZINC000236944546 202084420 /nfs/dbraw/zinc/08/44/20/202084420.db2.gz JPJASPTVQGNLQN-RDJZCZTQSA-N 2 0 305.466 2.520 20 0 DFADRP CCc1ccc([C@H](CNC(=O)[C@]2(CC)CCC[NH2+]2)[NH+](C)C)cc1 ZINC000134553966 283192110 /nfs/dbraw/zinc/19/21/10/283192110.db2.gz ZXBYDMWDKASEKY-HKUYNNGSSA-N 2 0 317.477 2.500 20 0 DFADRP CCC[C@@H]([NH3+])C(=O)NCc1ccccc1C[NH+]1CCC(C)CC1 ZINC000236966759 202099185 /nfs/dbraw/zinc/09/91/85/202099185.db2.gz GQGFPDPCCJJBQK-GOSISDBHSA-N 2 0 317.477 2.662 20 0 DFADRP COc1ccc(C[C@@H](C)[NH2+]C[C@H]2CCC[N@H+](C)C2)cc1OC ZINC000121217645 398786299 /nfs/dbraw/zinc/78/62/99/398786299.db2.gz GTADJVKUVYJHGS-GDBMZVCRSA-N 2 0 306.450 2.566 20 0 DFADRP CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)CCCCCC[NH3+])C1 ZINC000237037286 202131068 /nfs/dbraw/zinc/13/10/68/202131068.db2.gz MAWXEYNJAIHHNT-INIZCTEOSA-N 2 0 311.514 2.912 20 0 DFADRP CC[C@H](C)[C@@H]([NH3+])C(=O)NC[C@@H](c1ccccc1)[NH+](CC)CC ZINC000237077652 202144833 /nfs/dbraw/zinc/14/48/33/202144833.db2.gz BDWUREOBVUQZRN-BHYGNILZSA-N 2 0 305.466 2.559 20 0 DFADRP CC[C@]1(C)C[N@H+](CCCC[NH+]2CCO[C@@](C)(CC)C2)CCO1 ZINC000135676509 283227196 /nfs/dbraw/zinc/22/71/96/283227196.db2.gz YEWHCLXMDKZZGD-HDICACEKSA-N 2 0 312.498 2.768 20 0 DFADRP CC[NH+]1CCC([NH2+]C[C@](C)(Cc2ccccc2)[C@@H](C)O)CC1 ZINC000276895411 213161116 /nfs/dbraw/zinc/16/11/16/213161116.db2.gz MRLQUIHHWBAIHZ-APWZRJJASA-N 2 0 304.478 2.690 20 0 DFADRP CC[NH+](CC)CC1CC[NH+](Cc2cc(C(=O)OC)oc2C)CC1 ZINC000050031180 398803028 /nfs/dbraw/zinc/80/30/28/398803028.db2.gz LFUBBUJSMSIYIC-UHFFFAOYSA-N 2 0 322.449 2.928 20 0 DFADRP CCc1ccc(C[NH2+]CC2(N3CCCCC3)CC[NH+](C)CC2)o1 ZINC000150852065 283269288 /nfs/dbraw/zinc/26/92/88/283269288.db2.gz HTSMSEUHZWFILT-UHFFFAOYSA-N 2 0 319.493 2.882 20 0 DFADRP O=C(Nc1ccc(C[NH+]2CCCCCC2)cc1)[C@H]1CCC[NH2+]1 ZINC000178742270 198921860 /nfs/dbraw/zinc/92/18/60/198921860.db2.gz CEPKNXGYZKFLCE-QGZVFWFLSA-N 2 0 301.434 2.753 20 0 DFADRP C[C@@H]([NH2+]CC1CC[NH+](CCO)CC1)c1ccc(Cl)s1 ZINC000151810342 283297030 /nfs/dbraw/zinc/29/70/30/283297030.db2.gz OFSVBQURCTVTCR-LLVKDONJSA-N 2 0 302.871 2.756 20 0 DFADRP COC(=O)CCC[C@@H]1CCC[C@H]([NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)C1 ZINC000594512966 398813168 /nfs/dbraw/zinc/81/31/68/398813168.db2.gz ZCNVGUCKOREKHF-LUKYLMHMSA-N 2 0 310.482 2.818 20 0 DFADRP COC(=O)c1cc(C[NH2+]CCCC[NH+]2CCC(C)CC2)c(C)o1 ZINC000594602194 398828993 /nfs/dbraw/zinc/82/89/93/398828993.db2.gz VQRMMLGJJPCUIW-UHFFFAOYSA-N 2 0 322.449 2.976 20 0 DFADRP CC[C@@H]([NH2+]C[C@H](C)CN1CC[NH+](C)CC1)c1ccccc1F ZINC000180439400 199159075 /nfs/dbraw/zinc/15/90/75/199159075.db2.gz XDQGDBVOGQYCOF-MAUKXSAKSA-N 2 0 307.457 2.750 20 0 DFADRP C[NH2+]C[C@H](C)C(=O)NCc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000237333934 202235599 /nfs/dbraw/zinc/23/55/99/202235599.db2.gz ZIFBVEKXOPQKQR-INIZCTEOSA-N 2 0 317.477 2.534 20 0 DFADRP CCC(CC)[C@H](C[NH2+][C@H](C)[C@@H]1C[C@@H]1C(=O)OC)[NH+]1CCCC1 ZINC000594914178 398869736 /nfs/dbraw/zinc/86/97/36/398869736.db2.gz DZKUOULZQMCMKH-IWCQGFGOSA-N 2 0 310.482 2.674 20 0 DFADRP COC(=O)c1ccc(CN(C)[C@H]2CC[N@H+](C)[C@H](C)C2)c(F)c1 ZINC000135687137 398871727 /nfs/dbraw/zinc/87/17/27/398871727.db2.gz SJWIORMEOKGGCM-DOMZBBRYSA-N 2 0 308.397 2.527 20 0 DFADRP C[C@H]1C[N@H+](Cc2ccccc2)CCN1CC[NH+]1CCCCC1 ZINC000077176995 398885497 /nfs/dbraw/zinc/88/54/97/398885497.db2.gz BVXUMUNZMVJCEJ-SFHVURJKSA-N 2 0 301.478 2.679 20 0 DFADRP Fc1ccccc1C[N@@H+]1CCCN(CC[NH+]2CCCCC2)CC1 ZINC000077173486 398885538 /nfs/dbraw/zinc/88/55/38/398885538.db2.gz VRGJQUZFGTTWJO-UHFFFAOYSA-N 2 0 319.468 2.819 20 0 DFADRP C[NH+]1CCC(O)(C[NH2+][C@H]2CCC[C@@H]2CCc2ccccc2)CC1 ZINC000468551768 299280362 /nfs/dbraw/zinc/28/03/62/299280362.db2.gz FBLRNHOXRLGQKV-MOPGFXCFSA-N 2 0 316.489 2.834 20 0 DFADRP CC[C@@H](C)[C@H](C)[NH2+]Cc1ccc(C(=O)NCC[NH+](C)C)cc1 ZINC000180998692 199239128 /nfs/dbraw/zinc/23/91/28/199239128.db2.gz XWXVHSOJQIRNNM-CABCVRRESA-N 2 0 305.466 2.502 20 0 DFADRP CCOC(=O)c1[nH]c(C)c(C[NH2+]C[C@H]2CC[N@@H+](C(C)C)C2)c1C ZINC000598959998 398897975 /nfs/dbraw/zinc/89/79/75/398897975.db2.gz PGTLEZVHTNNTEW-OAHLLOKOSA-N 2 0 321.465 2.628 20 0 DFADRP CCOC(=O)c1[nH]c(C)c(C[NH2+]C[C@H]2CCN2C(C)(C)C)c1C ZINC000598982693 398903016 /nfs/dbraw/zinc/90/30/16/398903016.db2.gz XWGADQJIEDLQLB-CQSZACIVSA-N 2 0 321.465 2.771 20 0 DFADRP CC(C)[C@@H](Cc1ccccc1)[NH2+]C[C@H](C)CN1CC[NH+](C)CC1 ZINC000187159189 200070025 /nfs/dbraw/zinc/07/00/25/200070025.db2.gz KPGFFOIZRFGZOD-AZUAARDMSA-N 2 0 317.521 2.727 20 0 DFADRP C[N@H+](CCCO)C1CC[NH+](CCCCc2ccccc2)CC1 ZINC000187045115 200052248 /nfs/dbraw/zinc/05/22/48/200052248.db2.gz QPMNUZRTNHHNHN-UHFFFAOYSA-N 2 0 304.478 2.788 20 0 DFADRP COC(=O)CC1CCC([NH2+]Cc2cccc(C[NH+](C)C)c2)CC1 ZINC000599019425 398908137 /nfs/dbraw/zinc/90/81/37/398908137.db2.gz KCKYKCKJUYPQRD-UHFFFAOYSA-N 2 0 318.461 2.960 20 0 DFADRP CC[NH+]1CCC(CC[NH2+]C2CCC(CC(=O)OC)CC2)CC1 ZINC000599031544 398910421 /nfs/dbraw/zinc/91/04/21/398910421.db2.gz FMFFZCRRFBGYLQ-UHFFFAOYSA-N 2 0 310.482 2.820 20 0 DFADRP COC(=O)CC1CCC([NH2+]C2CC[NH+](C3CCC3)CC2)CC1 ZINC000599036005 398910988 /nfs/dbraw/zinc/91/09/88/398910988.db2.gz XOWOZFCZTRGHRJ-UHFFFAOYSA-N 2 0 308.466 2.715 20 0 DFADRP C[C@H]1[NH2+]CCC[C@H]1C(=O)NC1CC[NH+](CC2CCCCC2)CC1 ZINC000377522504 291191934 /nfs/dbraw/zinc/19/19/34/291191934.db2.gz FIHILYGQVNDZML-CRAIPNDOSA-N 2 0 321.509 2.535 20 0 DFADRP C[C@H](Cc1ccccc1F)[NH2+]CC1CC[NH+](CCN(C)C)CC1 ZINC000187962423 200183673 /nfs/dbraw/zinc/18/36/73/200183673.db2.gz QGDAYKZQBSLUTA-MRXNPFEDSA-N 2 0 321.484 2.620 20 0 DFADRP CO[C@@H](C)C[NH2+][C@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000188109802 200194874 /nfs/dbraw/zinc/19/48/74/200194874.db2.gz NMUYFVYVFBWATI-WNHJNPCNSA-N 2 0 302.462 2.912 20 0 DFADRP C[C@H]1C[C@H](NC(=O)CCCCCC[NH3+])C[N@@H+]1Cc1ccccc1 ZINC000237637845 202314526 /nfs/dbraw/zinc/31/45/26/202314526.db2.gz UXZZMEKYUTWUKY-WMZOPIPTSA-N 2 0 317.477 2.675 20 0 DFADRP [NH3+]C[C@@H]1CCCC[C@@H]1NC(=O)c1cccc(C[NH+]2CCCC2)c1 ZINC000237896122 202382412 /nfs/dbraw/zinc/38/24/12/202382412.db2.gz YDEWEEMXVIVVLG-ROUUACIJSA-N 2 0 315.461 2.530 20 0 DFADRP C[N@H+](Cc1ccccc1)CC(C)(C)C[NH2+]C[C@@H]1CC[C@@H](O)C1 ZINC000188833078 200309967 /nfs/dbraw/zinc/30/99/67/200309967.db2.gz WIUPKZBGEFBZNJ-QZTJIDSGSA-N 2 0 304.478 2.895 20 0 DFADRP C[C@@H]([NH2+]C1CCN(CC[NH+](C)C)CC1)[C@@H]1C[C@H]1c1cccs1 ZINC000417309948 296008735 /nfs/dbraw/zinc/00/87/35/296008735.db2.gz GQALTIIZUATCRW-HYVNUMGLSA-N 2 0 321.534 2.856 20 0 DFADRP [NH3+]C[C@H](Cc1ccccc1)[C@@H]1CCCCN1C[C@H]1CCC[NH2+]C1 ZINC000471848531 299310142 /nfs/dbraw/zinc/31/01/42/299310142.db2.gz QPKWFXSZSIQJHE-UFYCRDLUSA-N 2 0 315.505 2.658 20 0 DFADRP C[C@@H]([NH3+])[C@@H](C)C(=O)NC[C@H](c1cccs1)[NH+]1CCC(C)CC1 ZINC000192088042 296021764 /nfs/dbraw/zinc/02/17/64/296021764.db2.gz GTKIMNUQJQSVSP-RBSFLKMASA-N 2 0 323.506 2.621 20 0 DFADRP CCOC(=O)CC(C)(C)CC[N@@H+]1CCC[C@@]2(CC[NH+](C)C2)C1 ZINC000595504658 398952093 /nfs/dbraw/zinc/95/20/93/398952093.db2.gz LNXDGQQWOQHQQS-SFHVURJKSA-N 2 0 310.482 2.774 20 0 DFADRP C[C@H]([NH3+])[C@H](C)C(=O)NCc1ccc(C[NH+]2CCC(C)CC2)cc1 ZINC000192094017 200816307 /nfs/dbraw/zinc/81/63/07/200816307.db2.gz RFMIJXPEPRKSPH-HOTGVXAUSA-N 2 0 317.477 2.518 20 0 DFADRP C[C@@H](CC[NH+]1CCN(CC[NH+]2CCCC2)CC1)c1ccccc1 ZINC000193628442 201090115 /nfs/dbraw/zinc/09/01/15/201090115.db2.gz HNKBCGJVPMAABW-IBGZPJMESA-N 2 0 315.505 2.894 20 0 DFADRP C[C@@H](C(=O)N(C)c1ccccc1)[NH+]1CCC(CC[NH+](C)C)CC1 ZINC000056523543 398975749 /nfs/dbraw/zinc/97/57/49/398975749.db2.gz SFDHNMFTARTVTR-INIZCTEOSA-N 2 0 317.477 2.702 20 0 DFADRP C[NH+](C)CCC1CC[NH+](C[C@@H](O)c2cc(F)ccc2F)CC1 ZINC000056522042 398977029 /nfs/dbraw/zinc/97/70/29/398977029.db2.gz FJADNCMJJYQZJL-QGZVFWFLSA-N 2 0 312.404 2.662 20 0 DFADRP C[C@@H](CCN1CC[NH+](C)CC1)[NH2+]CCSCc1ccccc1 ZINC000193919874 201145916 /nfs/dbraw/zinc/14/59/16/201145916.db2.gz URTRRSDXVCUQEF-KRWDZBQOSA-N 2 0 321.534 2.535 20 0 DFADRP CC[NH+]1CCN([C@@H]2CC[N@H+](CC[C@@H](C)c3ccccc3)C2)CC1 ZINC000193886966 201139191 /nfs/dbraw/zinc/13/91/91/201139191.db2.gz RAGVKBWUAYLAAI-UYAOXDASSA-N 2 0 315.505 2.892 20 0 DFADRP C[C@@H](C[NH+]1CCN([C@@H]2CCC[N@H+](C)C2)CC1)c1ccccc1 ZINC000604885263 398979592 /nfs/dbraw/zinc/97/95/92/398979592.db2.gz UPGNNULJAPXHAW-PKOBYXMFSA-N 2 0 301.478 2.502 20 0 DFADRP c1ccc(CC[N@@H+]2CC[C@@H](C[NH2+]C[C@@H]3CCC=CO3)C2)cc1 ZINC000194374339 201211324 /nfs/dbraw/zinc/21/13/24/201211324.db2.gz XJXYSKAVSGEFJY-OALUTQOASA-N 2 0 300.446 2.833 20 0 DFADRP C[C@H]([NH2+]CCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1)c1cccc(CO)c1 ZINC000271838398 209258379 /nfs/dbraw/zinc/25/83/79/209258379.db2.gz BFUAEZSEBBSPTK-BBWFWOEESA-N 2 0 320.477 2.719 20 0 DFADRP CC(C)(C(=O)NC[C@H]1[NH2+]CCCC1(C)C)[C@@H]([NH3+])c1ccccc1 ZINC000417834467 296055981 /nfs/dbraw/zinc/05/59/81/296055981.db2.gz VHYSSYFJRLSVKB-CVEARBPZSA-N 2 0 317.477 2.607 20 0 DFADRP CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)CC[C@@H]1CCC[NH2+]C1 ZINC000621642035 399006480 /nfs/dbraw/zinc/00/64/80/399006480.db2.gz CDMFOQBAIYSXEK-DLBZAZTESA-N 2 0 309.498 2.537 20 0 DFADRP C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)CC[C@@H]2CCC[NH2+]C2)C1 ZINC000621642981 399007182 /nfs/dbraw/zinc/00/71/82/399007182.db2.gz YUKOIHXNXMRIMS-KURKYZTESA-N 2 0 323.525 2.641 20 0 DFADRP Cc1cc(C[NH2+]CC2CC[NH+](Cc3cccs3)CC2)n(C)n1 ZINC000417879078 296060449 /nfs/dbraw/zinc/06/04/49/296060449.db2.gz BHQYFBAZLUVVJS-UHFFFAOYSA-N 2 0 318.490 2.792 20 0 DFADRP C[C@H](C[NH2+][C@H]1CC[C@](C)(c2ccccc2)C1)N1CC[NH+](C)CC1 ZINC000249191187 283775776 /nfs/dbraw/zinc/77/57/76/283775776.db2.gz OFOSMDITRBSNIR-HOJAQTOUSA-N 2 0 315.505 2.722 20 0 DFADRP C[C@@H]1C[N@H+](CCC[NH2+]C[C@@H]2C[C@H]2c2ccccc2)CCCO1 ZINC000418031083 296073250 /nfs/dbraw/zinc/07/32/50/296073250.db2.gz LGQDKPXZUDRSST-NEWSRXKRSA-N 2 0 302.462 2.881 20 0 DFADRP COc1ccc([C@@H]([NH2+]C[C@@H](C)N2CC[NH+](C)CC2)C(C)C)cc1 ZINC000091333358 193041310 /nfs/dbraw/zinc/04/13/10/193041310.db2.gz CTNHZKJWMPGMNJ-APWZRJJASA-N 2 0 319.493 2.618 20 0 DFADRP Cc1ccc([C@@H]([NH2+][C@@H](C)CN2CC[NH+](C)CC2)C2CC2)cc1 ZINC000091334716 193042098 /nfs/dbraw/zinc/04/20/98/193042098.db2.gz IJCMDRXTODGOEN-QFBILLFUSA-N 2 0 301.478 2.672 20 0 DFADRP CCC[N@H+](CC)C[C@@H](C)NC(=O)NCc1ccc([C@H](C)[NH3+])cc1 ZINC000418204102 296081725 /nfs/dbraw/zinc/08/17/25/296081725.db2.gz PJCHXJKMLMIVEW-CABCVRRESA-N 2 0 320.481 2.626 20 0 DFADRP CCC[N@H+](CC)C[C@H](C)NC(=O)NCc1ccc([C@@H](C)[NH3+])cc1 ZINC000418204108 296081764 /nfs/dbraw/zinc/08/17/64/296081764.db2.gz PJCHXJKMLMIVEW-LSDHHAIUSA-N 2 0 320.481 2.626 20 0 DFADRP CCC[N@H+](CC)C[C@@H](C)NC(=O)NCc1ccc([C@@H](C)[NH3+])cc1 ZINC000418204106 296081808 /nfs/dbraw/zinc/08/18/08/296081808.db2.gz PJCHXJKMLMIVEW-HUUCEWRRSA-N 2 0 320.481 2.626 20 0 DFADRP CO[C@H](C)[C@H](C)[NH2+]CCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000271781728 209209865 /nfs/dbraw/zinc/20/98/65/209209865.db2.gz LUFCJMSHTOOARB-DLBZAZTESA-N 2 0 320.477 2.717 20 0 DFADRP Cc1nc(C)c(C[NH2+]CCCC[NH+]2C[C@H](C)O[C@@H](C)C2)s1 ZINC000172339292 399075090 /nfs/dbraw/zinc/07/50/90/399075090.db2.gz INPYVHYGKOAREY-STQMWFEESA-N 2 0 311.495 2.739 20 0 DFADRP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NC1CC[NH+](CC2CCCC2)CC1 ZINC000479588919 299380392 /nfs/dbraw/zinc/38/03/92/299380392.db2.gz JYHRBUHXXUOYIM-HZPDHXFCSA-N 2 0 321.509 2.630 20 0 DFADRP CC[C@H]([NH2+][C@@H](C)c1cccc(OCC[NH+](C)C)c1)C(C)(C)O ZINC000295083497 284019370 /nfs/dbraw/zinc/01/93/70/284019370.db2.gz UCDXIRAQXSQDMK-YOEHRIQHSA-N 2 0 308.466 2.827 20 0 DFADRP CCC[N@H+](CC)Cc1ccc(C(=O)N[C@@H]2C[NH2+]CC[C@@H]2C)cc1 ZINC000275188058 212183297 /nfs/dbraw/zinc/18/32/97/212183297.db2.gz YRBZZTLVZHVISI-MAUKXSAKSA-N 2 0 317.477 2.646 20 0 DFADRP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]C[C@H](c1ccccc1)C(C)(C)CO ZINC000305770068 284051761 /nfs/dbraw/zinc/05/17/61/284051761.db2.gz NGYHKMHYYKQSLX-KBAYOESNSA-N 2 0 304.478 2.719 20 0 DFADRP C[C@@H]([NH2+]CCCN1CCC[N@H+](C)CC1)[C@H](C)c1ccccc1 ZINC000128277406 296123167 /nfs/dbraw/zinc/12/31/67/296123167.db2.gz LDOWLQIASHMEMA-ZWKOTPCHSA-N 2 0 303.494 2.796 20 0 DFADRP CC[N@@H+]1CC[C@H](C[NH2+]Cc2ccc(C)cc2-c2ccnn2C)C1 ZINC000338433235 284112930 /nfs/dbraw/zinc/11/29/30/284112930.db2.gz WAVZUPZLAKUPDT-MRXNPFEDSA-N 2 0 312.461 2.827 20 0 DFADRP C[C@H](C(=O)NCCC[N@@H+]1CCCC[C@H]1C)[C@H]([NH3+])c1ccccc1 ZINC000261786658 203116125 /nfs/dbraw/zinc/11/61/25/203116125.db2.gz SOILJWYCTHNAEN-RYRKJORJSA-N 2 0 317.477 2.703 20 0 DFADRP CC[NH+](CC)[C@H](CNC(=O)CC[C@H]1CC[NH2+]C1)c1ccsc1 ZINC000261884771 203144379 /nfs/dbraw/zinc/14/43/79/203144379.db2.gz UXKVMCYWEQHEIV-GOEBONIOSA-N 2 0 323.506 2.637 20 0 DFADRP Cc1ccc(-c2n[nH]cc2C[N@H+](C)CC2CC[NH+](C)CC2)o1 ZINC000093088723 193202305 /nfs/dbraw/zinc/20/23/05/193202305.db2.gz QQIFDXAJLAWHHN-UHFFFAOYSA-N 2 0 302.422 2.752 20 0 DFADRP CC[NH+](CC)Cc1ccc(C(=O)NC[C@@H](C)C[NH+]2CCCC2)o1 ZINC000618400962 399108123 /nfs/dbraw/zinc/10/81/23/399108123.db2.gz PTLXGHMGUHMDKF-OAHLLOKOSA-N 2 0 321.465 2.583 20 0 DFADRP CCC[C@H]([NH3+])C(=O)NCc1ccc(C[N@@H+]2CCCC[C@H]2C)cc1 ZINC000262138081 203209026 /nfs/dbraw/zinc/20/90/26/203209026.db2.gz LNUAXVSODHIPPU-QAPCUYQASA-N 2 0 317.477 2.805 20 0 DFADRP CC[NH+](CC)[C@@H](CNC(=O)[C@H]1CC[NH2+][C@@H](C)C1)c1ccsc1 ZINC000262318692 203259795 /nfs/dbraw/zinc/25/97/95/203259795.db2.gz CHPAROBJNAOCEP-DZKIICNBSA-N 2 0 323.506 2.635 20 0 DFADRP CC[NH+](CC)[C@@H](CNC(=O)[C@H]1CC[NH2+][C@@H](C)C1)c1ccccc1 ZINC000262372616 203276877 /nfs/dbraw/zinc/27/68/77/203276877.db2.gz KFYCJVMJXARENX-SZMVWBNQSA-N 2 0 317.477 2.574 20 0 DFADRP C[N@@H+]1CC[C@@H](NCC[NH+]2CCCCC2)C[C@@H]1c1ccccc1 ZINC000340174245 284155476 /nfs/dbraw/zinc/15/54/76/284155476.db2.gz NNKZLGCYNPMEAA-RTBURBONSA-N 2 0 301.478 2.897 20 0 DFADRP CCC[C@](C)([NH3+])C(=O)Nc1cccc(CC[NH+]2CCCC2)c1 ZINC000262587180 203341740 /nfs/dbraw/zinc/34/17/40/203341740.db2.gz SXMZQQLRBWCXIY-SFHVURJKSA-N 2 0 303.450 2.781 20 0 DFADRP CCC(CC)(CNC(=O)C(C)(C)[NH3+])[NH2+][C@H](C)c1ccccc1 ZINC000262673568 203376002 /nfs/dbraw/zinc/37/60/02/203376002.db2.gz QAJBCSNUIXDLIR-CQSZACIVSA-N 2 0 305.466 2.750 20 0 DFADRP C[C@@H]([NH2+]CC1CCN(c2cc[nH+]cc2)CC1)[C@@]1(C)CCCO1 ZINC000340270357 284165619 /nfs/dbraw/zinc/16/56/19/284165619.db2.gz AWDIVFOAYBDWDC-CRAIPNDOSA-N 2 0 303.450 2.845 20 0 DFADRP CCC[C@](C)([NH3+])C(=O)Nc1ccc(OCC[NH+](CC)CC)cc1 ZINC000262720959 203392797 /nfs/dbraw/zinc/39/27/97/203392797.db2.gz ZRQKODQSOOBDNA-SFHVURJKSA-N 2 0 321.465 2.863 20 0 DFADRP COc1ccc(C[NH+]2CCC(OCC[NH+]3CCCC3)CC2)cc1 ZINC000093735141 193298051 /nfs/dbraw/zinc/29/80/51/193298051.db2.gz ARPAHAWDDFHPFZ-UHFFFAOYSA-N 2 0 318.461 2.772 20 0 DFADRP COCC[N@H+](C)CCCC1CC[NH+](Cc2cccnc2C)CC1 ZINC000093769474 193302689 /nfs/dbraw/zinc/30/26/89/193302689.db2.gz FDQPNJGXTDKOIR-UHFFFAOYSA-N 2 0 319.493 2.960 20 0 DFADRP CCOC(=O)CCCCC[N@@H+]1CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000600725339 399125656 /nfs/dbraw/zinc/12/56/56/399125656.db2.gz JAWUGWLQFFNPTI-STQMWFEESA-N 2 0 324.387 2.569 20 0 DFADRP COC(=O)c1cc(C[N@@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)cs1 ZINC000595895936 399127047 /nfs/dbraw/zinc/12/70/47/399127047.db2.gz WQYQEMGVJSXBHF-GJZGRUSLSA-N 2 0 322.474 2.746 20 0 DFADRP C[C@@H]1C[N@@H+](CCC2CC[NH+](Cc3cncs3)CC2)C[C@H](C)O1 ZINC000093844214 193317010 /nfs/dbraw/zinc/31/70/10/193317010.db2.gz ITZFQLWNQUDORJ-GASCZTMLSA-N 2 0 323.506 2.854 20 0 DFADRP COCCC[NH+]1CCC([NH2+][C@@H](C)c2ccccc2N(C)C)CC1 ZINC000093944267 193331442 /nfs/dbraw/zinc/33/14/42/193331442.db2.gz GTBMPACZKUJFFG-INIZCTEOSA-N 2 0 319.493 2.904 20 0 DFADRP CC[C@H](Cn1cncn1)[NH2+]Cc1cccc(C[N@H+](C)C(C)C)c1 ZINC000340520658 284186317 /nfs/dbraw/zinc/18/63/17/284186317.db2.gz SVVTYWHIOXBHHQ-GOSISDBHSA-N 2 0 315.465 2.687 20 0 DFADRP CC(C)[NH+]1CCC(O)(C[NH2+]Cc2cc(F)cc(Cl)c2)CC1 ZINC000274971017 212050569 /nfs/dbraw/zinc/05/05/69/212050569.db2.gz ILFXKEZPBQBWCU-UHFFFAOYSA-N 2 0 314.832 2.804 20 0 DFADRP CSC[C@](C)(O)C[NH2+][C@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000274964651 212046911 /nfs/dbraw/zinc/04/69/11/212046911.db2.gz XFKATDJSDFTTNO-KBAYOESNSA-N 2 0 322.518 2.601 20 0 DFADRP COc1cc2c(cc1F)[nH+]ccc2N1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000420185250 296161095 /nfs/dbraw/zinc/16/10/95/296161095.db2.gz KPSQFNYUKNYXJN-VXGBXAGGSA-N 2 0 303.381 2.946 20 0 DFADRP C[C@@H]([NH2+][C@H]1CCCC[C@@H]1O)c1ccc(OCC[NH+](C)C)cc1 ZINC000187887382 296162447 /nfs/dbraw/zinc/16/24/47/296162447.db2.gz GQGNPCKNDMUMLB-JLSDUUJJSA-N 2 0 306.450 2.581 20 0 DFADRP CC[C@@H]1CCCC[C@H]1C[N@@H+]1CC[C@@H](N2CC[NH+](CC)CC2)C1 ZINC000600117640 399142333 /nfs/dbraw/zinc/14/23/33/399142333.db2.gz MIYAEQHXBQLHRS-CEXWTWQISA-N 2 0 307.526 2.915 20 0 DFADRP Cc1[nH+]c2ccccc2c(NC[C@H]2CCNCC2(F)F)c1C ZINC000420278382 296168626 /nfs/dbraw/zinc/16/86/26/296168626.db2.gz JFRSTIVEOMZWCI-CYBMUJFWSA-N 2 0 305.372 2.930 20 0 DFADRP Cc1cc(CN2CCC[NH2+]CC2)nc(-c2ccc(Cl)cc2)n1 ZINC000420278721 296168575 /nfs/dbraw/zinc/16/85/75/296168575.db2.gz WDXVVZCBRWWXOQ-UHFFFAOYSA-N 2 0 316.836 2.901 20 0 DFADRP CC(C)[C@@H]([NH3+])CCN(C)[C@H](C)c1ncc(Br)cn1 ZINC000420291893 296170149 /nfs/dbraw/zinc/17/01/49/296170149.db2.gz OHSPPOLNKWHUDW-PWSUYJOCSA-N 2 0 315.259 2.605 20 0 DFADRP COc1ccc(-c2noc([C@@H](C)N(C)CC(C)(C)C[NH3+])n2)cc1 ZINC000420293353 296170065 /nfs/dbraw/zinc/17/00/65/296170065.db2.gz QTYZDXMVGOCFRA-GFCCVEGCSA-N 2 0 318.421 2.723 20 0 DFADRP [NH3+][C@@H](Cc1ccccc1)[C@@H](O)C[N@@H+]1CCC[C@H]1c1ccccc1 ZINC000420295817 296170429 /nfs/dbraw/zinc/17/04/29/296170429.db2.gz AXDPKQKHYLQTAV-UFYCRDLUSA-N 2 0 310.441 2.754 20 0 DFADRP c1ccc([C@H]2c3ccccc3CC[N@H+]2CCN2CC[NH2+]CC2)cc1 ZINC000420295747 296170512 /nfs/dbraw/zinc/17/05/12/296170512.db2.gz COVFFHZQZNUZEX-NRFANRHFSA-N 2 0 321.468 2.539 20 0 DFADRP COc1ccc([C@H](C[NH3+])C[N@@H+](C)C2CCC(OC)CC2)cc1 ZINC000420299511 296171200 /nfs/dbraw/zinc/17/12/00/296171200.db2.gz IWFFVOHPPVDCLX-KLHKWILBSA-N 2 0 306.450 2.627 20 0 DFADRP CC(C)[C@H](CO)[N@H+](CC[C@@H]1CCC[NH2+]C1)Cc1ccccc1 ZINC000420302966 296171631 /nfs/dbraw/zinc/17/16/31/296171631.db2.gz MVBLYMHYHJYWAA-HKUYNNGSSA-N 2 0 304.478 2.895 20 0 DFADRP CCC[N@H+](CC[C@@H]1CC[NH2+]C1)CC(=O)Nc1ccc(Cl)cc1 ZINC000420302532 296171569 /nfs/dbraw/zinc/17/15/69/296171569.db2.gz MMXANDCPLJCVHH-AWEZNQCLSA-N 2 0 323.868 2.990 20 0 DFADRP COc1ccc([C@@H](C[NH3+])C[N@@H+]2CCCC3(CCOCC3)C2)cc1 ZINC000420302458 296171582 /nfs/dbraw/zinc/17/15/82/296171582.db2.gz MGRAHFHOYWYZLN-KRWDZBQOSA-N 2 0 318.461 2.630 20 0 DFADRP CC[N@H+](CC[C@H]1CCC[NH2+]C1)Cc1ccc(C(=O)N(C)C)cc1 ZINC000420308439 296172884 /nfs/dbraw/zinc/17/28/84/296172884.db2.gz SFWVWPKPCDKZQS-MRXNPFEDSA-N 2 0 317.477 2.600 20 0 DFADRP COc1ccc([C@@H]2CCC[N@@H+]2CC[C@@H]2CC[NH2+]C2)cc1OC ZINC000420303440 296172299 /nfs/dbraw/zinc/17/22/99/296172299.db2.gz KIFOPNQBYTTWIY-HOCLYGCPSA-N 2 0 304.434 2.840 20 0 DFADRP COCC[N@H+](CCOc1ccc(F)cc1)CC[C@H]1CCC[NH2+]C1 ZINC000420305688 296172470 /nfs/dbraw/zinc/17/24/70/296172470.db2.gz PWPOPDYULTXBML-MRXNPFEDSA-N 2 0 324.440 2.543 20 0 DFADRP COCC[N@H+](CCOc1ccc(F)cc1)CC[C@@H]1CCC[NH2+]C1 ZINC000420305687 296172529 /nfs/dbraw/zinc/17/25/29/296172529.db2.gz PWPOPDYULTXBML-INIZCTEOSA-N 2 0 324.440 2.543 20 0 DFADRP COC(=O)CCC[N@H+](Cc1ccsc1)[C@@H]1CC12CC[NH2+]CC2 ZINC000420306951 296172554 /nfs/dbraw/zinc/17/25/54/296172554.db2.gz IAMBPGGZAJRMPD-OAHLLOKOSA-N 2 0 322.474 2.645 20 0 DFADRP c1ccc(C[N@@H+](CC[C@H]2CCCO2)[C@H]2CCC[NH2+]CC2)nc1 ZINC000420305539 296172643 /nfs/dbraw/zinc/17/26/43/296172643.db2.gz GPHWCQYSSNYWEF-ZWKOTPCHSA-N 2 0 303.450 2.595 20 0 DFADRP Cn1cc([C@@H](c2cccc(F)c2)[N@H+](C)CC[C@@H]2CC[NH2+]C2)cn1 ZINC000420306205 296172704 /nfs/dbraw/zinc/17/27/04/296172704.db2.gz ACMDCBQHDVHJIA-KBXCAEBGSA-N 2 0 316.424 2.580 20 0 DFADRP COc1ccc([C@H](C[NH3+])C[N@@H+]2CCCC[C@@H]2c2cn[nH]c2)cc1 ZINC000420307608 296173105 /nfs/dbraw/zinc/17/31/05/296173105.db2.gz BVVYNXCESDMPCH-CRAIPNDOSA-N 2 0 314.433 2.688 20 0 DFADRP C(C[N@@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1)[C@H]1CCC[NH2+]C1 ZINC000420311578 296173535 /nfs/dbraw/zinc/17/35/35/296173535.db2.gz HEEXICYZOVKXRI-MOPGFXCFSA-N 3 0 307.526 2.964 20 0 DFADRP CCc1ccc(CN2CC[NH+](CC[C@@H]3CCC[NH2+]C3)CC2)s1 ZINC000420313947 296173808 /nfs/dbraw/zinc/17/38/08/296173808.db2.gz JNISTPQZWGOZOK-INIZCTEOSA-N 2 0 321.534 2.818 20 0 DFADRP [NH3+][C@@H](Cc1ccccc1)[C@@H](O)C[N@@H+]1CCC[C@@H]1c1ccsc1 ZINC000420318368 296174288 /nfs/dbraw/zinc/17/42/88/296174288.db2.gz OOQQQJGDODMNIL-KSZLIROESA-N 2 0 316.470 2.816 20 0 DFADRP C[C@@H](c1ccc(F)cc1F)N1CC[NH+](CC[C@@H]2CC[NH2+]C2)CC1 ZINC000420324887 296175240 /nfs/dbraw/zinc/17/52/40/296175240.db2.gz VPNSRQOVRUIKML-GJZGRUSLSA-N 2 0 323.431 2.643 20 0 DFADRP CC[C@@H](c1ccc(F)cc1)[N@@H+]1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000420323656 296175305 /nfs/dbraw/zinc/17/53/05/296175305.db2.gz GPLJAPFUVCABAR-RDJZCZTQSA-N 2 0 306.425 2.964 20 0 DFADRP C(C[N@@H+]1CCCC[C@H]1c1nnc2n1CCCC2)[C@@H]1CCC[NH2+]C1 ZINC000420325386 296175427 /nfs/dbraw/zinc/17/54/27/296175427.db2.gz WAFJNYAIXYAYCA-HOTGVXAUSA-N 2 0 317.481 2.531 20 0 DFADRP C(C[N@@H+]1CCCC[C@@H]1c1nnc2n1CCCC2)[C@H]1CCC[NH2+]C1 ZINC000420325389 296175459 /nfs/dbraw/zinc/17/54/59/296175459.db2.gz WAFJNYAIXYAYCA-HZPDHXFCSA-N 2 0 317.481 2.531 20 0 DFADRP c1ccc2nc(N3CC[NH+](CC[C@@H]4CCC[NH2+]C4)CC3)ccc2c1 ZINC000420322089 296174885 /nfs/dbraw/zinc/17/48/85/296174885.db2.gz SEZIRTFAVRUVPM-KRWDZBQOSA-N 2 0 324.472 2.747 20 0 DFADRP CSc1ccc(OCC[N@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)cc1 ZINC000420329695 296176194 /nfs/dbraw/zinc/17/61/94/296176194.db2.gz HDKPDJMYHYIAJJ-GASCZTMLSA-N 2 0 306.475 2.719 20 0 DFADRP O=C(CC[NH+]1CCC([C@@H]2CCC[NH2+]2)CC1)NCC1CCCCC1 ZINC000420331439 296176483 /nfs/dbraw/zinc/17/64/83/296176483.db2.gz DYKZBYQTQRAMPX-SFHVURJKSA-N 2 0 321.509 2.537 20 0 DFADRP c1ccc([C@H]2C[N@@H+](CCN3CC[NH2+]CC3)Cc3ccccc32)cc1 ZINC000420325910 296175710 /nfs/dbraw/zinc/17/57/10/296175710.db2.gz WXGNFWYAEPPUBR-OAQYLSRUSA-N 2 0 321.468 2.539 20 0 DFADRP c1ccc2c(c1)CCN2CC1CC[NH+](CC[C@@H]2CC[NH2+]C2)CC1 ZINC000420325697 296175726 /nfs/dbraw/zinc/17/57/26/296175726.db2.gz WQPJNIZTQWCJRN-KRWDZBQOSA-N 2 0 313.489 2.761 20 0 DFADRP c1ccc2c(c1)CCN2CC1CC[NH+](CC[C@H]2CC[NH2+]C2)CC1 ZINC000420325700 296175825 /nfs/dbraw/zinc/17/58/25/296175825.db2.gz WQPJNIZTQWCJRN-QGZVFWFLSA-N 2 0 313.489 2.761 20 0 DFADRP CCCCN(CCCC)C(=O)C[N@@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000420335957 296177185 /nfs/dbraw/zinc/17/71/85/296177185.db2.gz IGCJDRCSDKLBDM-ZWKOTPCHSA-N 2 0 323.525 2.737 20 0 DFADRP [NH3+][C@@H]1CCO[C@H]1C1CC[NH+](CCOc2ccccc2Cl)CC1 ZINC000420337770 296177230 /nfs/dbraw/zinc/17/72/30/296177230.db2.gz XATTYDJKVDDLMW-WBVHZDCISA-N 2 0 324.852 2.547 20 0 DFADRP Cc1cc(C)cc(NC(=O)C[N@@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)c1 ZINC000420339005 296177525 /nfs/dbraw/zinc/17/75/25/296177525.db2.gz LJXCDZZEXPVSHG-IRXDYDNUSA-N 2 0 315.461 2.563 20 0 DFADRP CCc1ccc(NC(=O)C[N@@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)cc1 ZINC000420343910 296177801 /nfs/dbraw/zinc/17/78/01/296177801.db2.gz RRIGSBAQUKIVKB-SJORKVTESA-N 2 0 315.461 2.509 20 0 DFADRP Cc1ccc(NC(=O)[C@H]2C[C@@H]3CCCC[N@@H+]3C2)c(C[NH+](C)C)c1 ZINC000080669205 399168079 /nfs/dbraw/zinc/16/80/79/399168079.db2.gz LALITOIJDCLSEN-IRXDYDNUSA-N 2 0 315.461 2.870 20 0 DFADRP Cc1cccc(NC(=O)[C@H](C)[NH+]2CCC([C@H]3CCC[NH2+]3)CC2)c1 ZINC000420340635 296177545 /nfs/dbraw/zinc/17/75/45/296177545.db2.gz MYDHFDXUDUHUQT-MAUKXSAKSA-N 2 0 315.461 2.786 20 0 DFADRP Cc1ccc(C)c(NC(=O)[C@@H](C)[N@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)c1 ZINC000420341800 296177684 /nfs/dbraw/zinc/17/76/84/296177684.db2.gz QGYFNOHRCBOYNT-ZACQAIPSSA-N 2 0 315.461 2.562 20 0 DFADRP COCCOCCC[NH2+][C@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000274878161 212003473 /nfs/dbraw/zinc/00/34/73/212003473.db2.gz HACBGEBBYPNHDE-IEBWSBKVSA-N 2 0 320.477 2.540 20 0 DFADRP CC[C@H]([NH2+]CCN1CC[N@H+](C)C(C)(C)C1)c1ccc(OC)cc1 ZINC000282509219 217049969 /nfs/dbraw/zinc/04/99/69/217049969.db2.gz YSNZDYZJJPZYDT-SFHVURJKSA-N 2 0 319.493 2.762 20 0 DFADRP C[C@@H](O)C[N@H+](CC1CC[NH2+]CC1)[C@H](C)Cc1ccc(Cl)cc1 ZINC000261871741 296179293 /nfs/dbraw/zinc/17/92/93/296179293.db2.gz VIRLDDKQLVEXHC-HUUCEWRRSA-N 2 0 324.896 2.953 20 0 DFADRP COc1ccc([C@H](C[NH3+])C[NH+]2CCC([C@H]3CCCO3)CC2)cc1 ZINC000420359061 296179610 /nfs/dbraw/zinc/17/96/10/296179610.db2.gz KDKZOQVWYZJJKK-IEBWSBKVSA-N 2 0 318.461 2.629 20 0 DFADRP c1cn(CCCC2CC[NH+](CC[C@H]3CCC[NH2+]C3)CC2)cn1 ZINC000420358482 296179660 /nfs/dbraw/zinc/17/96/60/296179660.db2.gz JBYQMXCGFAXVEI-GOSISDBHSA-N 2 0 304.482 2.765 20 0 DFADRP CCOC(=O)C1CCC([NH2+]C[C@@H]2CCC[N@H+](CC3CC3)C2)CC1 ZINC000596094052 399171151 /nfs/dbraw/zinc/17/11/51/399171151.db2.gz IATSDBYPBVUEBX-AOCRQIFASA-N 2 0 322.493 2.820 20 0 DFADRP COc1ccc([C@H](C[NH3+])C[N@@H+]2CCC[C@H]2c2cccnc2)cc1 ZINC000420364975 296180723 /nfs/dbraw/zinc/18/07/23/296180723.db2.gz RQMZKTJBNWKWKA-MJGOQNOKSA-N 2 0 311.429 2.970 20 0 DFADRP C[C@@H]([NH2+]CCN1CC[NH2+]CC1)c1ccc(Cl)cc1Cl ZINC000420363716 296180230 /nfs/dbraw/zinc/18/02/30/296180230.db2.gz CCJRRFQAFZLBTQ-LLVKDONJSA-N 2 0 302.249 2.549 20 0 DFADRP CC1(C)C[NH2+]CC[C@@H]1[NH2+]CCOc1ccc(Cl)c(F)c1 ZINC000420364839 296180806 /nfs/dbraw/zinc/18/08/06/296180806.db2.gz PIQFTSYKSNIOCC-AWEZNQCLSA-N 2 0 300.805 2.836 20 0 DFADRP CC[NH+](CC)Cc1ccc(C(=O)N(C)[C@H]2CC[N@H+](C)C[C@@H]2C)o1 ZINC000607516255 399172854 /nfs/dbraw/zinc/17/28/54/399172854.db2.gz FXOURLIUTUXNRL-HOCLYGCPSA-N 2 0 321.465 2.534 20 0 DFADRP Cc1cccc(OCC[NH+]2CCC([C@H]3OCCC[C@@H]3[NH3+])CC2)c1 ZINC000420372866 296181966 /nfs/dbraw/zinc/18/19/66/296181966.db2.gz FUYKIWYFBFXJPU-RBUKOAKNSA-N 2 0 318.461 2.592 20 0 DFADRP C[N@H+](CC[C@@H]1CCC[NH2+]C1)C1CCN(c2ccccc2)CC1 ZINC000420372147 296181743 /nfs/dbraw/zinc/18/17/43/296181743.db2.gz LDYVCWRKFBMGHA-KRWDZBQOSA-N 2 0 301.478 2.977 20 0 DFADRP CC[C@@H](c1ccc(F)cc1)[N@@H+]1CCC[C@@H](n2cc(C[NH3+])nn2)C1 ZINC000420372325 296181757 /nfs/dbraw/zinc/18/17/57/296181757.db2.gz FCQXDBCJFNOWHD-SJORKVTESA-N 2 0 317.412 2.664 20 0 DFADRP CCc1cccc(C[NH+]2CCC([C@@H]3OCCC[C@H]3[NH3+])CC2)c1 ZINC000420374633 296182327 /nfs/dbraw/zinc/18/23/27/296182327.db2.gz HQKQIPCPGTZUCT-MOPGFXCFSA-N 2 0 302.462 2.967 20 0 DFADRP Cc1ccc([C@@H](C)[NH2+]C[C@H](O)[C@@H]([NH3+])Cc2ccccc2)cc1C ZINC000420373582 296182342 /nfs/dbraw/zinc/18/23/42/296182342.db2.gz MOHRCPQDYHQRAY-UXPWSPDFSA-N 2 0 312.457 2.885 20 0 DFADRP C[C@H](Cc1cccc(Cl)c1)[NH2+]C[C@@H](O)C[NH+]1CCCCC1 ZINC000282617795 217128541 /nfs/dbraw/zinc/12/85/41/217128541.db2.gz JFWDZBRSIZLXJE-RHSMWYFYSA-N 2 0 310.869 2.707 20 0 DFADRP FC(F)(F)c1ccn(C2CC[NH+](CC[C@H]3CC[NH2+]C3)CC2)n1 ZINC000420379752 296183165 /nfs/dbraw/zinc/18/31/65/296183165.db2.gz VOXKAOVGVYXUBO-GFCCVEGCSA-N 2 0 316.371 2.538 20 0 DFADRP CC[N@H+](CCC1CC[NH+](CC[C@H]2CC[NH2+]C2)CC1)CC1CC1 ZINC000420379858 296182994 /nfs/dbraw/zinc/18/29/94/296182994.db2.gz VWUSAHKZBJZOEG-GOSISDBHSA-N 3 0 307.526 2.820 20 0 DFADRP C[C@@H]([NH2+]CCN1CC[NH2+]CC1)c1cc(F)c(Cl)cc1Cl ZINC000420382109 296183482 /nfs/dbraw/zinc/18/34/82/296183482.db2.gz YEYSWWJWERRSNJ-SNVBAGLBSA-N 2 0 320.239 2.688 20 0 DFADRP COC(=O)C1(C[N@@H+]2CCC[C@@H](C[NH+]3CCCC[C@H]3C)C2)CC1 ZINC000448524338 297341148 /nfs/dbraw/zinc/34/11/48/297341148.db2.gz HBLYNDAJHYVRQE-HZPDHXFCSA-N 2 0 308.466 2.526 20 0 DFADRP c1ccc2c(c1)cncc2N1CC[NH+](CC[C@H]2CCC[NH2+]C2)CC1 ZINC000420380961 296183679 /nfs/dbraw/zinc/18/36/79/296183679.db2.gz XDTUNYCRZGMLPI-QGZVFWFLSA-N 2 0 324.472 2.747 20 0 DFADRP C[C@H]1CC(CC[N@@H+]2CCC[C@H](n3cc(C[NH3+])nn3)C2)C[C@H](C)C1 ZINC000420389772 296184932 /nfs/dbraw/zinc/18/49/32/296184932.db2.gz YSXZDCUOAZCTGM-RKVPGOIHSA-N 2 0 319.497 2.836 20 0 DFADRP O=C(CC[N@@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1)Nc1cccc(F)c1 ZINC000420390944 296185172 /nfs/dbraw/zinc/18/51/72/296185172.db2.gz IBDNHWMSNBMRPP-WMLDXEAASA-N 2 0 319.424 2.618 20 0 DFADRP Cc1cccc([C@H](C)[NH2+]C[C@H](O)[C@@H]([NH3+])Cc2ccccc2)c1C ZINC000420395214 296185766 /nfs/dbraw/zinc/18/57/66/296185766.db2.gz DDPMTQVQWSSFKA-VDGAXYAQSA-N 2 0 312.457 2.885 20 0 DFADRP Cc1ccc(C[NH2+]CC2=CC[N@H+](C)CC2)c(-c2cnn(C)c2)c1 ZINC000282724572 217204879 /nfs/dbraw/zinc/20/48/79/217204879.db2.gz SAXGUKKQIANNPO-UHFFFAOYSA-N 2 0 310.445 2.747 20 0 DFADRP Cc1cccc(OCC[NH+]2CCC([C@@H]3C[C@H]([NH3+])CCO3)CC2)c1 ZINC000420395913 296185529 /nfs/dbraw/zinc/18/55/29/296185529.db2.gz UURAAAOVKAYFEK-MJGOQNOKSA-N 2 0 318.461 2.592 20 0 DFADRP Fc1ccc([C@@H]2OCC[C@@H]2[NH2+]CCC2CC[NH2+]CC2)cc1F ZINC000420412244 296187567 /nfs/dbraw/zinc/18/75/67/296187567.db2.gz SGJMVVLGIRFKOY-IRXDYDNUSA-N 2 0 310.388 2.774 20 0 DFADRP C[C@@H]1CCN(Cc2nn(-c3ccccc3)c3c2CCC3)C[C@H]1C[NH3+] ZINC000420415225 296187811 /nfs/dbraw/zinc/18/78/11/296187811.db2.gz UWXAYQIMCYYCCL-HZPDHXFCSA-N 2 0 324.472 2.778 20 0 DFADRP Fc1ccc([C@@H]2OCC[C@H]2[NH2+]CC[C@H]2CCC[NH2+]C2)cc1F ZINC000420421928 296188231 /nfs/dbraw/zinc/18/82/31/296188231.db2.gz YZIZOBIRRGEBPA-JLZZUVOBSA-N 2 0 310.388 2.774 20 0 DFADRP C[C@H](C(=O)N[C@H]1CC[N@@H+](C2CCCCC2)C1)[NH+]1CCCCCC1 ZINC000618662002 399200733 /nfs/dbraw/zinc/20/07/33/399200733.db2.gz VCTSBDJPNUAJFK-SJORKVTESA-N 2 0 321.509 2.774 20 0 DFADRP CC[C@H](C(=O)N[C@H]1CC[N@@H+](C2CCCCC2)C1)[NH+](CC)CC ZINC000618661075 399200438 /nfs/dbraw/zinc/20/04/38/399200438.db2.gz NQHDJLGIFSBUKK-DOTOQJQBSA-N 2 0 309.498 2.630 20 0 DFADRP CCC(C)(C)[NH2+][C@H](C)C(=O)N[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000618665520 399202999 /nfs/dbraw/zinc/20/29/99/399202999.db2.gz JXPYTFVKYVAFRK-HUUCEWRRSA-N 2 0 309.498 2.676 20 0 DFADRP C[NH+](C)CCCOc1cnccc1C[NH2+]Cc1ccsc1 ZINC000288476165 220166580 /nfs/dbraw/zinc/16/65/80/220166580.db2.gz GBSWACUQFXSMCP-UHFFFAOYSA-N 2 0 305.447 2.763 20 0 DFADRP CO[C@@]1(C(F)(F)F)CCCN(CC[C@H]2CCCC[N@@H+]2C)C1 ZINC000682036918 545780396 /nfs/dbraw/zinc/78/03/96/545780396.db2.gz HLWVPRHBWQGXBA-KGLIPLIRSA-N 2 0 308.388 2.904 20 0 DFADRP CC(C)[N@H+](C)CC1CCN(C(=O)C2CC[NH+](C(C)C)CC2)CC1 ZINC000081292781 399223750 /nfs/dbraw/zinc/22/37/50/399223750.db2.gz VYSXYIQCODQHFN-UHFFFAOYSA-N 2 0 323.525 2.686 20 0 DFADRP COC(C)(C)C[NH2+]Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000608065466 399230414 /nfs/dbraw/zinc/23/04/14/399230414.db2.gz JVZQPQZLCITWLD-UHFFFAOYSA-N 2 0 306.450 2.676 20 0 DFADRP C[C@@H]([NH2+]Cc1ccc(C(=O)NCC[NH+](C)C)cc1)[C@@H]1CC1(C)C ZINC000487309645 299457236 /nfs/dbraw/zinc/45/72/36/299457236.db2.gz LEQCDIDLTBMSPM-PBHICJAKSA-N 2 0 317.477 2.502 20 0 DFADRP C[C@H](C(=O)N1CCC([NH+]2CCCCC2)CC1)[NH+]1[C@H](C)CC[C@H]1C ZINC000343085278 284469477 /nfs/dbraw/zinc/46/94/77/284469477.db2.gz NLLCAPGEWWZCIS-BRWVUGGUSA-N 2 0 321.509 2.725 20 0 DFADRP CC[NH+](CC)Cc1ccc(C(=O)N2CC[C@@H](C[N@@H+](C)CC)C2)o1 ZINC000608240791 399245443 /nfs/dbraw/zinc/24/54/43/399245443.db2.gz YATRVMIHXVSCTK-HNNXBMFYSA-N 2 0 321.465 2.535 20 0 DFADRP CC[NH+]1CCC(N2CCC[N@@H+]([C@H](C)c3cccnc3)CC2)CC1 ZINC000420972420 296219818 /nfs/dbraw/zinc/21/98/18/296219818.db2.gz AVBHQFDMUIQMOA-QGZVFWFLSA-N 2 0 316.493 2.635 20 0 DFADRP CC[NH+]1CCN([C@H]2CC[N@H+](Cc3cccc(C4CC4)c3)C2)CC1 ZINC000421318798 296244150 /nfs/dbraw/zinc/24/41/50/296244150.db2.gz IEENBSPSSUBCBT-FQEVSTJZSA-N 2 0 313.489 2.776 20 0 DFADRP CC(C)N(C)c1ccc(C[NH2+]C2CCC([NH+](C)C)CC2)cn1 ZINC000421366795 296248875 /nfs/dbraw/zinc/24/88/75/296248875.db2.gz CWGVGSPRKGSONB-UHFFFAOYSA-N 2 0 304.482 2.889 20 0 DFADRP CC(C)[NH+]1CCN([C@H]2CC[N@@H+]([C@@H]3CCc4ccccc43)C2)CC1 ZINC000614962605 399286138 /nfs/dbraw/zinc/28/61/38/399286138.db2.gz LQOGOWROLSRVHM-AZUAARDMSA-N 2 0 313.489 2.774 20 0 DFADRP C[C@H](c1ccncc1)[NH+]1CCC(OCC[NH+]2CCCC2)CC1 ZINC000608750910 399292925 /nfs/dbraw/zinc/29/29/25/399292925.db2.gz IJCSZAYJKOVTJJ-MRXNPFEDSA-N 2 0 303.450 2.719 20 0 DFADRP CC(C)[NH+]1CCC(O)(C[NH2+]Cc2ccc([C@@H]3C[C@@H]3C)o2)CC1 ZINC000344634770 284661342 /nfs/dbraw/zinc/66/13/42/284661342.db2.gz CCWXBUXKRLEFGR-GOEBONIOSA-N 2 0 306.450 2.728 20 0 DFADRP CCOC(=O)CCCCC[N@@H+]1CCC[C@H](n2ccnc2C)C1 ZINC000609799355 399331771 /nfs/dbraw/zinc/33/17/71/399331771.db2.gz YQGYHMCWYAMWPZ-INIZCTEOSA-N 2 0 307.438 2.952 20 0 DFADRP C[C@@H]([C@H]1CC[N@H+](Cc2ccccc2)C1)N1CCc2n[nH]cc2C1 ZINC000623242309 399345035 /nfs/dbraw/zinc/34/50/35/399345035.db2.gz WOPHDOGKDPTQSS-RDJZCZTQSA-N 2 0 310.445 2.678 20 0 DFADRP Clc1ccccc1C[NH+]1CCC(C[NH+]2CCOCC2)CC1 ZINC000051957299 425883668 /nfs/dbraw/zinc/88/36/68/425883668.db2.gz OKSWIYPVOCTXPH-UHFFFAOYSA-N 2 0 308.853 2.884 20 0 DFADRP CC[NH+]1CCC(C[NH2+]Cc2cc(C(=O)OC)ccc2Cl)CC1 ZINC000619509056 399355574 /nfs/dbraw/zinc/35/55/74/399355574.db2.gz SDXJARTWAHJMBH-UHFFFAOYSA-N 2 0 324.852 2.948 20 0 DFADRP C[NH+](C)C1CCC(NC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC000422006305 296289638 /nfs/dbraw/zinc/28/96/38/296289638.db2.gz LQSOUDQNVWOENA-KLAILNCOSA-N 2 0 321.509 2.630 20 0 DFADRP CCN1CC[NH+](CCCC[NH2+]Cc2ccc3cc[nH]c3c2)CC1 ZINC000623356971 399370932 /nfs/dbraw/zinc/37/09/32/399370932.db2.gz RBUIKOBNVQVRHJ-UHFFFAOYSA-N 2 0 314.477 2.675 20 0 DFADRP C[N@@H+]1CC[C@@H]([NH2+]C[C@@H]2CCN(c3ccccc3)C2)CC1(C)C ZINC000623356478 399371116 /nfs/dbraw/zinc/37/11/16/399371116.db2.gz SJPGTUOZSVTBBX-DLBZAZTESA-N 2 0 301.478 2.975 20 0 DFADRP C[N@@H+]1CC[C@@H](NCc2ccc(N3CCCC3)nc2)CC1(C)C ZINC000623354964 399370241 /nfs/dbraw/zinc/37/02/41/399370241.db2.gz QPWGMROALOSMSD-MRXNPFEDSA-N 2 0 302.466 2.644 20 0 DFADRP CCC(CC)C(=O)N1CCC([NH2+][C@H]2CC[N@H+](C)C(C)(C)C2)CC1 ZINC000623363291 399372675 /nfs/dbraw/zinc/37/26/75/399372675.db2.gz LNULJOLAZOGVCA-KRWDZBQOSA-N 2 0 323.525 2.876 20 0 DFADRP C[NH+](C)C[C@H](Cc1ccccc1)N[C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623370436 399374240 /nfs/dbraw/zinc/37/42/40/399374240.db2.gz KAVVDHMBBCFDEJ-MSOLQXFVSA-N 2 0 303.494 2.622 20 0 DFADRP C[C@H]1Cc2ccccc2N1CC[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623380513 399376201 /nfs/dbraw/zinc/37/62/01/399376201.db2.gz BSQSXXFCBSCQEH-DOTOQJQBSA-N 2 0 301.478 2.900 20 0 DFADRP CCc1ccc([C@@H](CNC(=O)[C@H](C(C)C)[NH+](C)C)[NH+](C)C)cc1 ZINC000106427470 194211351 /nfs/dbraw/zinc/21/13/51/194211351.db2.gz ISNMNFDPXSWMMF-MSOLQXFVSA-N 2 0 319.493 2.554 20 0 DFADRP CN(C)c1c(C[NH2+]CCC2CC[NH+](C)CC2)ccc(F)c1F ZINC000623403103 399381272 /nfs/dbraw/zinc/38/12/72/399381272.db2.gz JYDFEFKYEWDKDU-UHFFFAOYSA-N 2 0 311.420 2.852 20 0 DFADRP C[N@@H+]1CC[C@H]([NH2+][C@H](CO)Cc2c[nH]c3ccccc23)CC1(C)C ZINC000623421716 399385852 /nfs/dbraw/zinc/38/58/52/399385852.db2.gz XLCIKELKUYKJRR-HOTGVXAUSA-N 2 0 315.461 2.534 20 0 DFADRP CC[C@@H]1CN(C(=O)C(C)C)CC[C@H]1[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623435369 399388904 /nfs/dbraw/zinc/38/89/04/399388904.db2.gz BOQUEYVMPSMEDI-IXDOHACOSA-N 2 0 323.525 2.732 20 0 DFADRP CN(CC[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1)Cc1ccc(F)cc1 ZINC000623440270 399390517 /nfs/dbraw/zinc/39/05/17/399390517.db2.gz PRXNJBUOUHGCJS-QGZVFWFLSA-N 2 0 307.457 2.720 20 0 DFADRP CC(C)n1ncc2cc(C[N@@H+]3C[C@H](C[NH3+])[C@H](C)C[C@H]3C)cnc21 ZINC000422559672 296312385 /nfs/dbraw/zinc/31/23/85/296312385.db2.gz DTBAFCKCCAQPMY-CPUCHLNUSA-N 2 0 315.465 2.817 20 0 DFADRP [NH3+][C@@H]1CCO[C@H]1C1CC[NH+](Cc2cccc(C3CC3)c2)CC1 ZINC000422553562 296312004 /nfs/dbraw/zinc/31/20/04/296312004.db2.gz KDNNDAURBAQDHV-MOPGFXCFSA-N 2 0 300.446 2.892 20 0 DFADRP Cc1nn(-c2ccccc2)cc1C[N@@H+]1C[C@H](C[NH3+])[C@H](C)C[C@H]1C ZINC000422565713 296313387 /nfs/dbraw/zinc/31/33/87/296313387.db2.gz ZUAUNAFIRRWTAU-INMHGKMJSA-N 2 0 312.461 2.986 20 0 DFADRP C[C@H]([NH2+]C(C)(C)CNC(=O)NC(C)(C)CC[NH3+])c1ccccc1 ZINC000422592112 296314853 /nfs/dbraw/zinc/31/48/53/296314853.db2.gz CWLGWNRMPJGQJW-AWEZNQCLSA-N 2 0 320.481 2.542 20 0 DFADRP C[C@H]([NH2+][C@@H]1CCCC[C@@H]1O)c1cccc(OCC[NH+](C)C)c1 ZINC000268895631 207063852 /nfs/dbraw/zinc/06/38/52/207063852.db2.gz PAXTXTXBISOWJQ-QGTPRVQTSA-N 2 0 306.450 2.581 20 0 DFADRP C[C@@H]1C[C@H](C)[N@H+](CCCOCCc2ccccc2)C[C@H]1C[NH3+] ZINC000422625265 296316476 /nfs/dbraw/zinc/31/64/76/296316476.db2.gz BBZZKSNSMNVIBY-ZIFCJYIRSA-N 2 0 304.478 2.941 20 0 DFADRP Cn1nc(CC[NH2+][C@@H]2CC[N@H+](C)C(C)(C)C2)c2ccccc21 ZINC000623495623 399401701 /nfs/dbraw/zinc/40/17/01/399401701.db2.gz KNKYGYMVZYFCNW-CQSZACIVSA-N 2 0 300.450 2.578 20 0 DFADRP [NH3+]C1CCC([NH2+]CC2(N3CCSCC3)CCCCC2)CC1 ZINC000422700623 296318442 /nfs/dbraw/zinc/31/84/42/296318442.db2.gz AMDUTGUNDDTXOY-UHFFFAOYSA-N 2 0 311.539 2.598 20 0 DFADRP CCOc1cc(C[NH2+][C@@H](C)[C@H]2CC[NH2+]C2)ccc1OC(F)F ZINC000422698388 296318120 /nfs/dbraw/zinc/31/81/20/296318120.db2.gz ZDCNLGSCMLLFEA-AAEUAGOBSA-N 2 0 314.376 2.774 20 0 DFADRP COc1ccc(CCC[NH2+][C@@H]2CCCC[C@H]2C[NH3+])cc1OC ZINC000422699168 296318290 /nfs/dbraw/zinc/31/82/90/296318290.db2.gz AHEXUUPDTBLVPX-JKSUJKDBSA-N 2 0 306.450 2.744 20 0 DFADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@H](O)C(C)(C)C ZINC000268917594 207084344 /nfs/dbraw/zinc/08/43/44/207084344.db2.gz VHKFVJGMIJHKNT-NXHRZFHOSA-N 2 0 304.478 2.894 20 0 DFADRP CC[C@H](C(=O)NCC1([NH3+])CCCCC1)[N@H+](C)Cc1ccccc1 ZINC000422703281 296318608 /nfs/dbraw/zinc/31/86/08/296318608.db2.gz HKZAMAKLWIBIEK-QGZVFWFLSA-N 2 0 317.477 2.675 20 0 DFADRP C[C@H]1CC[NH2+]CC[C@H]1[NH2+]CC(C)(C)N1CCc2ccccc2C1 ZINC000422704179 296318976 /nfs/dbraw/zinc/31/89/76/296318976.db2.gz OTGDEBSMJCJVLF-QFBILLFUSA-N 2 0 315.505 2.801 20 0 DFADRP [NH3+]C[C@H]1CCC[C@@H]1[NH2+]Cc1ccc(NC(=O)c2ccco2)cc1 ZINC000422707557 296319562 /nfs/dbraw/zinc/31/95/62/296319562.db2.gz ALEDHQYAXAQQIZ-ZBFHGGJFSA-N 2 0 313.401 2.749 20 0 DFADRP C[C@H](CN[C@H](C)[C@@H]1CCCC[NH2+]1)[N@@H+]1CCc2ccccc2C1 ZINC000422708636 296319437 /nfs/dbraw/zinc/31/94/37/296319437.db2.gz CCMGJKVZFVYIRI-MDZRGWNJSA-N 2 0 301.478 2.553 20 0 DFADRP C[NH+](C)CCCOc1ccc(CN[C@H]2CCCCC[C@H]2[NH3+])cc1 ZINC000422718522 296320985 /nfs/dbraw/zinc/32/09/85/296320985.db2.gz PVYBKZBSOJFJDD-MOPGFXCFSA-N 2 0 319.493 2.767 20 0 DFADRP C[C@H](CCCC[NH3+])[NH2+]CC1(N2CCSCC2)CCCCC1 ZINC000422716128 296320574 /nfs/dbraw/zinc/32/05/74/296320574.db2.gz UBKWLYGQTMRUJT-MRXNPFEDSA-N 2 0 313.555 2.845 20 0 DFADRP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+]CCC(=O)NC1CCCCC1 ZINC000422715494 296320595 /nfs/dbraw/zinc/32/05/95/296320595.db2.gz MIWFVOHQUGJBLV-NVXWUHKLSA-N 2 0 309.498 2.726 20 0 DFADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]C[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000422714549 296320689 /nfs/dbraw/zinc/32/06/89/296320689.db2.gz LAGVXNPJZTUUBA-UFYCRDLUSA-N 3 0 315.505 2.658 20 0 DFADRP CC(C)CC(=O)Nc1cccc(C[NH2+][C@@H]2CCC[C@H]2C[NH3+])c1 ZINC000422723734 296321636 /nfs/dbraw/zinc/32/16/36/296321636.db2.gz SGKMYGHWPYFQHL-DOTOQJQBSA-N 2 0 303.450 2.888 20 0 DFADRP CCOc1c(Cl)cc(C[NH2+][C@@H](C)[C@H]2CC[NH2+]C2)cc1OC ZINC000422721239 296321377 /nfs/dbraw/zinc/32/13/77/296321377.db2.gz NUEKLOWLORIWRZ-AAEUAGOBSA-N 2 0 312.841 2.835 20 0 DFADRP CCC[C@](C)(O)C[NH2+]Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000602278375 399417941 /nfs/dbraw/zinc/41/79/41/399417941.db2.gz RMZDPEKLOMNNHU-IBGZPJMESA-N 2 0 320.477 2.802 20 0 DFADRP Cc1cccc2nc(CC[NH2+][C@@H]3CC[N@@H+](C)C(C)(C)C3)cn21 ZINC000623558747 399415582 /nfs/dbraw/zinc/41/55/82/399415582.db2.gz HOOYNIHKXFFMMZ-OAHLLOKOSA-N 3 0 300.450 2.648 20 0 DFADRP CN(C)C(=O)C1(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)CCCC1 ZINC000422728002 296322532 /nfs/dbraw/zinc/32/25/32/296322532.db2.gz INXFHZSIWIUFQS-IXDOHACOSA-N 2 0 321.509 2.535 20 0 DFADRP C[N@@H+]1CC[C@H]([NH2+]C[C@H]2CCN2Cc2ccccc2)CC1(C)C ZINC000623575128 399419853 /nfs/dbraw/zinc/41/98/53/399419853.db2.gz LWIMYICMMWPZKO-ZWKOTPCHSA-N 2 0 301.478 2.723 20 0 DFADRP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]CCc1ccc2c(c1)CCO2 ZINC000422731887 296323152 /nfs/dbraw/zinc/32/31/52/296323152.db2.gz OFJQXSVEZGQDKQ-KXBFYZLASA-N 2 0 310.441 2.712 20 0 DFADRP CC[C@H]1CCCC[N@@H+]1CCN[C@@H](C)c1ccc(C[NH3+])nc1C ZINC000422731872 296323241 /nfs/dbraw/zinc/32/32/41/296323241.db2.gz OEMOXWVJZMBKIY-YOEHRIQHSA-N 2 0 304.482 2.764 20 0 DFADRP Cc1cccc2c1C[C@@H]([NH2+]Cc1ccnn1-c1cc[nH+]cc1)CO2 ZINC000623608378 399426610 /nfs/dbraw/zinc/42/66/10/399426610.db2.gz IQSLSQFWDXSJBS-OAHLLOKOSA-N 2 0 320.396 2.669 20 0 DFADRP CO[C@H](C[NH2+][C@@H](C)c1ccc(OCC[NH+](C)C)cc1)C(C)C ZINC000268998663 207156288 /nfs/dbraw/zinc/15/62/88/207156288.db2.gz UFZJTXFLIDEEFR-MAUKXSAKSA-N 2 0 308.466 2.949 20 0 DFADRP C[C@H](CC[NH+](C)C)[NH2+][C@@H](C)c1ccc(NC(=O)NC2CC2)cc1 ZINC000269012532 207164909 /nfs/dbraw/zinc/16/49/09/207164909.db2.gz NUPZSRDYVCZUDR-KGLIPLIRSA-N 2 0 318.465 2.961 20 0 DFADRP C[N@@H+]1CCCC[C@H](C[NH2+]Cc2ccc(O[C@@H]3CCOC3)cc2)C1 ZINC000623656997 399436795 /nfs/dbraw/zinc/43/67/95/399436795.db2.gz HJJWGULISIOBRX-IEBWSBKVSA-N 2 0 318.461 2.676 20 0 DFADRP C[C@H]([NH2+][C@@H]1CCCC[C@@H]1CO)c1cccc(OCC[NH+](C)C)c1 ZINC000269048580 207198753 /nfs/dbraw/zinc/19/87/53/207198753.db2.gz WZZZZGYVGIAZLK-KVSKMBFKSA-N 2 0 320.477 2.829 20 0 DFADRP C[N@@H+]1CCCC[C@@H](C[NH2+]Cc2ccc(O[C@@H]3CCOC3)cc2)C1 ZINC000623656999 399437357 /nfs/dbraw/zinc/43/73/57/399437357.db2.gz HJJWGULISIOBRX-PKOBYXMFSA-N 2 0 318.461 2.676 20 0 DFADRP C[C@H]([NH2+]CC1(O)CC[NH+](C)CC1)c1ccccc1C(F)(F)F ZINC000269052747 207203570 /nfs/dbraw/zinc/20/35/70/207203570.db2.gz RJDQVQCDKKCNBH-LBPRGKRZSA-N 2 0 316.367 2.813 20 0 DFADRP CC(C)(O)C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000269064915 207212941 /nfs/dbraw/zinc/21/29/41/207212941.db2.gz VJQWMRNORSHEAO-ZWKOTPCHSA-N 2 0 302.462 2.744 20 0 DFADRP CC(C)(O)C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000269064910 207213457 /nfs/dbraw/zinc/21/34/57/207213457.db2.gz VJQWMRNORSHEAO-MSOLQXFVSA-N 2 0 302.462 2.744 20 0 DFADRP CCO[C@@H](CC[NH+](C)C)C[NH2+][C@H]1CCc2c1cccc2OC ZINC000269096986 207237613 /nfs/dbraw/zinc/23/76/13/207237613.db2.gz SANFTUSGJKQPIS-YOEHRIQHSA-N 2 0 306.450 2.629 20 0 DFADRP C[NH2+]Cc1cccc(NC(=O)[C@H](C(C)C)[NH+]2CCCCC2)c1 ZINC000269123594 207258034 /nfs/dbraw/zinc/25/80/34/207258034.db2.gz ABJMCKWRDIHREK-KRWDZBQOSA-N 2 0 303.450 2.855 20 0 DFADRP CCCC[N@H+](C)CC1CC[NH+](CC(=O)N2CCCC[C@@H]2C)CC1 ZINC000052209454 425883952 /nfs/dbraw/zinc/88/39/52/425883952.db2.gz SKWBNMHIQYQYKA-KRWDZBQOSA-N 2 0 323.525 2.831 20 0 DFADRP C[C@H](N[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1)[C@@H]1CCCC[NH2+]1 ZINC000422740764 296324476 /nfs/dbraw/zinc/32/44/76/296324476.db2.gz NEAVPSSHOBPAGI-CAMMJAKZSA-N 2 0 301.478 2.942 20 0 DFADRP CC[C@H](C(=O)N1CCCC[C@H]1[C@@H](C)[NH3+])[N@H+](C)Cc1ccccc1 ZINC000422735830 296323896 /nfs/dbraw/zinc/32/38/96/296323896.db2.gz WTUBLPXVMAETLR-NXHRZFHOSA-N 2 0 317.477 2.625 20 0 DFADRP C[C@H](c1ccccc1)N1CC[C@@H]([NH2+][C@H]2CC[NH2+]CC[C@H]2C)C1 ZINC000422738369 296323960 /nfs/dbraw/zinc/32/39/60/296323960.db2.gz JOUZQFDAHHQXDH-RWQQGDIJSA-N 2 0 301.478 2.800 20 0 DFADRP [NH3+][C@@H]1CCCCC[C@H]1NC[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000422738250 296324189 /nfs/dbraw/zinc/32/41/89/296324189.db2.gz JHQXRVVPMJVKCY-GUDVDZBRSA-N 2 0 301.478 2.901 20 0 DFADRP CCOC(=O)C1([C@@H](C)[NH2+][C@@H](C)c2ccccc2C)CC[NH2+]CC1 ZINC000422741256 296324514 /nfs/dbraw/zinc/32/45/14/296324514.db2.gz DBNKXQJYNGMOIA-JKSUJKDBSA-N 2 0 318.461 2.967 20 0 DFADRP Cc1ncsc1C[NH2+][C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422742084 296324515 /nfs/dbraw/zinc/32/45/15/296324515.db2.gz PJFVMNUHBRZYNT-PBHICJAKSA-N 2 0 315.442 2.797 20 0 DFADRP CCC[NH+]1CCC(C[NH2+][C@@H](Cc2ccccc2)[C@H](C)[NH3+])CC1 ZINC000422746722 296325537 /nfs/dbraw/zinc/32/55/37/296325537.db2.gz XBAWSEZKNDABCD-LPHOPBHVSA-N 3 0 303.494 2.657 20 0 DFADRP C[C@]1(C(=O)Nc2ccc(CC[NH+]3CCCCC3)cc2)CC[NH2+]C1 ZINC000269230335 207352532 /nfs/dbraw/zinc/35/25/32/207352532.db2.gz CLWCLLWHCFXZGE-IBGZPJMESA-N 2 0 315.461 2.653 20 0 DFADRP COC[C@H](CCC[NH3+])[NH2+]CC1(c2ccccc2OC)CCCC1 ZINC000422746249 296325272 /nfs/dbraw/zinc/32/52/72/296325272.db2.gz ZEZWVOVYHGDEJW-INIZCTEOSA-N 2 0 320.477 2.851 20 0 DFADRP CC1CC[NH+]([C@H](CN[C@H]2CCC[C@H]2[NH3+])c2ccccc2)CC1 ZINC000422745457 296325314 /nfs/dbraw/zinc/32/53/14/296325314.db2.gz XTORXNAOPKOAJT-CEXWTWQISA-N 2 0 301.478 2.929 20 0 DFADRP CSCCCC[NH2+][C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422750539 296326079 /nfs/dbraw/zinc/32/60/79/296326079.db2.gz DGACYOMBDXYFEI-NVXWUHKLSA-N 2 0 306.475 2.975 20 0 DFADRP Cc1nc2ccccc2n1CCC[NH2+][C@H]1CCCC[C@H]1C[NH3+] ZINC000422750010 296326192 /nfs/dbraw/zinc/32/61/92/296326192.db2.gz BVWDHTIVKDCZKS-HOTGVXAUSA-N 2 0 300.450 2.842 20 0 DFADRP Cc1nc2ccccc2n1CCC[NH2+][C@H]1CCCC[C@@H]1C[NH3+] ZINC000422750009 296326265 /nfs/dbraw/zinc/32/62/65/296326265.db2.gz BVWDHTIVKDCZKS-CVEARBPZSA-N 2 0 300.450 2.842 20 0 DFADRP C[C@H](Cc1cccc(Br)c1)[NH2+][C@H](C)[C@H]1CC[NH2+]C1 ZINC000422751273 296326419 /nfs/dbraw/zinc/32/64/19/296326419.db2.gz BCTKDWITYRVULW-BZPMIXESSA-N 2 0 311.267 2.968 20 0 DFADRP CCOC(=O)C1([C@H](C)[NH2+]C[C@H]2CCC[C@H](C)C2)CC[NH2+]CC1 ZINC000422750924 296326489 /nfs/dbraw/zinc/32/64/89/296326489.db2.gz AQHXCNSEQVFCIW-JYJNAYRXSA-N 2 0 310.482 2.724 20 0 DFADRP COC(=O)c1csc(C[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@H+]3C)c1 ZINC000602562721 399476602 /nfs/dbraw/zinc/47/66/02/399476602.db2.gz VZRXQTLQIJQRMX-AGUYFDCRSA-N 2 0 308.447 2.640 20 0 DFADRP CCS[C@@H]1CCCC[C@H]1[NH2+]C1CC[NH+](CC(C)(C)O)CC1 ZINC000602562473 399476704 /nfs/dbraw/zinc/47/67/04/399476704.db2.gz BYFYIIQMCZSZBE-HZPDHXFCSA-N 2 0 314.539 2.876 20 0 DFADRP COc1cccc([C@H](C[NH2+][C@H](C)C[C@H](C)[NH3+])N2CCCC2)c1 ZINC000422754338 296327388 /nfs/dbraw/zinc/32/73/88/296327388.db2.gz GVWSXQPOAKWYCF-DAYGRLMNSA-N 2 0 305.466 2.548 20 0 DFADRP COc1cccc([C@H](C[NH2+][C@@H](C)C[C@H](C)[NH3+])N2CCCC2)c1 ZINC000422754339 296327466 /nfs/dbraw/zinc/32/74/66/296327466.db2.gz GVWSXQPOAKWYCF-MPGHIAIKSA-N 2 0 305.466 2.548 20 0 DFADRP CC[N@@H+]1CCC[C@@H]1CN[C@@H](c1ccc(OC)cc1)[C@@H]1CCC[NH2+]1 ZINC000422752844 296326877 /nfs/dbraw/zinc/32/68/77/296326877.db2.gz HOQUYZGXWJLHBZ-NEWSRXKRSA-N 2 0 317.477 2.562 20 0 DFADRP C[C@H]([NH3+])[C@@H](Cc1ccccc1)NCC[N@H+](C)Cc1ccccc1 ZINC000422759290 296328122 /nfs/dbraw/zinc/32/81/22/296328122.db2.gz LBDCOSFQLFFQBU-FXAWDEMLSA-N 2 0 311.473 2.667 20 0 DFADRP C[C@H]([NH2+]CC1(c2ccc(F)cc2)CCOCC1)[C@@H]1CCCC[NH2+]1 ZINC000422756777 296327717 /nfs/dbraw/zinc/32/77/17/296327717.db2.gz IADQEGQTAXTFDE-YJBOKZPZSA-N 2 0 320.452 2.994 20 0 DFADRP Cc1cccc([C@H]([NH2+]CCCN2CC[NH+](C)CC2)C(C)C)c1 ZINC000623853640 399480138 /nfs/dbraw/zinc/48/01/38/399480138.db2.gz BCZVEVWAFXQEAS-LJQANCHMSA-N 2 0 303.494 2.919 20 0 DFADRP COc1cccc([C@H](C[NH2+][C@H](C)CCCC[NH3+])N2CCCC2)c1 ZINC000422761928 296328424 /nfs/dbraw/zinc/32/84/24/296328424.db2.gz NCQNDFOLQALQPR-APWZRJJASA-N 2 0 319.493 2.939 20 0 DFADRP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]CCN1c2ccccc2C[C@@H]1C ZINC000422760374 296328513 /nfs/dbraw/zinc/32/85/13/296328513.db2.gz KYTIDIXFAVNLKM-ZWOKBUDYSA-N 2 0 323.484 2.986 20 0 DFADRP Cc1cccc([C@@H]([NH2+]CCCN2CC[NH+](C)CC2)C(C)C)c1 ZINC000623853639 399479933 /nfs/dbraw/zinc/47/99/33/399479933.db2.gz BCZVEVWAFXQEAS-IBGZPJMESA-N 2 0 303.494 2.919 20 0 DFADRP Fc1ccc(C2(C[NH2+][C@H]3CCC[NH2+]CC3)CCOCC2)cc1 ZINC000422762839 296328889 /nfs/dbraw/zinc/32/88/89/296328889.db2.gz ONBFUBFTABSKGQ-KRWDZBQOSA-N 2 0 306.425 2.606 20 0 DFADRP CC(C)(C)C[C@H](O)C[NH2+][C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422767054 296329704 /nfs/dbraw/zinc/32/97/04/296329704.db2.gz SDTWHBUCESZYIV-URLQWDBASA-N 2 0 318.461 2.629 20 0 DFADRP Cc1nn(-c2ccccc2)c(C)c1C[NH2+][C@H]1CC[NH2+]CC[C@H]1C ZINC000422768030 296330128 /nfs/dbraw/zinc/33/01/28/296330128.db2.gz NMYNKXDLPLVHFN-KUHUBIRLSA-N 2 0 312.461 2.967 20 0 DFADRP OC[C@H](C[NH2+][C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1)Cc1ccccc1 ZINC000422771650 296330163 /nfs/dbraw/zinc/33/01/63/296330163.db2.gz XPIZXRXQIRKQDZ-VNTMZGSJSA-N 2 0 316.489 2.738 20 0 DFADRP Clc1ccccc1CC[NH2+][C@@H]1CCOC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000422775679 296330978 /nfs/dbraw/zinc/33/09/78/296330978.db2.gz BCWCBAUWOMVAAT-HYVNUMGLSA-N 2 0 308.853 2.629 20 0 DFADRP CC[C@H]([NH2+]CCn1c(C)nc2ccccc21)[C@@H]1CCCC[NH2+]1 ZINC000422776687 296330985 /nfs/dbraw/zinc/33/09/85/296330985.db2.gz BAEMUDLQFIQLQK-HOTGVXAUSA-N 2 0 300.450 2.855 20 0 DFADRP C[C@H](CCCC[NH3+])[NH2+]CCNc1ncc(Cl)cc1Cl ZINC000422775186 296330997 /nfs/dbraw/zinc/33/09/97/296330997.db2.gz AMMOKXAIOZAUNG-SNVBAGLBSA-N 2 0 305.253 2.907 20 0 DFADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]C[C@@H](CCO)c1ccccc1 ZINC000422775242 296331009 /nfs/dbraw/zinc/33/10/09/296331009.db2.gz AURSVGJZBCBZHC-RHSMWYFYSA-N 2 0 313.445 2.666 20 0 DFADRP CCOC(=O)C1([C@H](C)[NH2+]C2C[C@H](C)C[C@@H](C)C2)CC[NH2+]CC1 ZINC000422774484 296331051 /nfs/dbraw/zinc/33/10/51/296331051.db2.gz XEYINLFXGKCZQN-KFWWJZLASA-N 2 0 310.482 2.722 20 0 DFADRP C[C@@H]([NH2+]Cc1ccccc1OCC[NH+](C)C)[C@H]1CCCCO1 ZINC000623879535 399485922 /nfs/dbraw/zinc/48/59/22/399485922.db2.gz JLKBQFOAEBMZNN-NVXWUHKLSA-N 2 0 306.450 2.674 20 0 DFADRP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]C[C@H](CCO)c1ccccc1 ZINC000422775591 296331166 /nfs/dbraw/zinc/33/11/66/296331166.db2.gz BYRTZMDBTFJQCF-VDGAXYAQSA-N 2 0 312.457 2.701 20 0 DFADRP C[C@@H](NC[C@@H]1CCCC[N@@H+]1Cc1ccccc1)[C@H]1CCC[NH2+]1 ZINC000422776512 296331215 /nfs/dbraw/zinc/33/12/15/296331215.db2.gz CTKXVWOWMXOVQS-NZSAHSFTSA-N 2 0 301.478 2.771 20 0 DFADRP C[C@@H](CCCC[NH3+])[NH2+][C@@H]1CCCN(c2ccccc2Cl)C1=O ZINC000422777602 296331569 /nfs/dbraw/zinc/33/15/69/296331569.db2.gz FVIHQVVUGQKUNF-DZGCQCFKSA-N 2 0 323.868 2.943 20 0 DFADRP CC[C@@H]([NH2+]C[C@@H](C)N1CC[NH+](C)CC1)c1cc(C)ccc1C ZINC000623888474 399488011 /nfs/dbraw/zinc/48/80/11/399488011.db2.gz IFTZMCQPJNNGRE-IEBWSBKVSA-N 2 0 303.494 2.980 20 0 DFADRP C[C@H](C[NH2+][C@@H]1CCOC[C@H]1[C@H]1CCC[NH2+]1)Cc1cccs1 ZINC000422786607 296332515 /nfs/dbraw/zinc/33/25/15/296332515.db2.gz SVFAQBVHWNPXSJ-QMCVQRASSA-N 2 0 308.491 2.673 20 0 DFADRP CCOC(=O)C1([C@@H](C)[NH2+]C2CCC(C)(C)CC2)CC[NH2+]CC1 ZINC000422782334 296332020 /nfs/dbraw/zinc/33/20/20/296332020.db2.gz LPXVGSODOQWXIJ-CQSZACIVSA-N 2 0 310.482 2.866 20 0 DFADRP CCOC(=O)C1([C@@H](C)[NH2+][C@@H](C)C2CCCCC2)CC[NH2+]CC1 ZINC000422785183 296332256 /nfs/dbraw/zinc/33/22/56/296332256.db2.gz PDAKSPJMMAATGW-LSDHHAIUSA-N 2 0 310.482 2.866 20 0 DFADRP COc1ccc(CC[NH2+][C@@H]2C[C@@H]([NH3+])c3ccccc32)c(OC)c1 ZINC000422782905 296332339 /nfs/dbraw/zinc/33/23/39/296332339.db2.gz NRGRSYOGSQRETI-QZTJIDSGSA-N 2 0 312.413 2.981 20 0 DFADRP C[C@@H](CCCC[NH3+])[NH2+]C[C@@H](CO)Cc1c(F)cccc1Cl ZINC000422789157 296332833 /nfs/dbraw/zinc/33/28/33/296332833.db2.gz BBVUYOYXXWNSAO-STQMWFEESA-N 2 0 316.848 2.737 20 0 DFADRP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]CCNc1ncc(Cl)cc1Cl ZINC000422789594 296333156 /nfs/dbraw/zinc/33/31/56/296333156.db2.gz UKCVWBVERNZZCE-GXFFZTMASA-N 2 0 317.264 2.907 20 0 DFADRP C[NH+](C)C1(CN[C@@H]2CC[NH2+][C@H](c3ccccc3)C2)CCCC1 ZINC000422791817 296333655 /nfs/dbraw/zinc/33/36/55/296333655.db2.gz VGKLCVATVKCALZ-MSOLQXFVSA-N 2 0 301.478 2.944 20 0 DFADRP OCC[C@H](C[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1)c1ccccc1 ZINC000422792034 296333764 /nfs/dbraw/zinc/33/37/64/296333764.db2.gz WRTWPUABCZSJOV-NCXUSEDFSA-N 2 0 302.462 2.663 20 0 DFADRP c1cc(C[NH+]2CCCCC2)ccc1C[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000422792696 296333779 /nfs/dbraw/zinc/33/37/79/296333779.db2.gz RMPVHJZJIYHVFB-LJQANCHMSA-N 3 0 301.478 2.904 20 0 DFADRP CCOC(=O)C1([C@H](C)[NH2+][C@@H]2CC[C@H]3CCC[C@@H]3C2)CC[NH2+]CC1 ZINC000422796003 296334466 /nfs/dbraw/zinc/33/44/66/296334466.db2.gz XHOKAJQLAHHLJR-YLFCFFPRSA-N 2 0 322.493 2.866 20 0 DFADRP C[NH+](C)CCOc1cccc(N[C@@H]2CC[N@H+](C)C(C)(C)C2)c1 ZINC000623949519 399501080 /nfs/dbraw/zinc/50/10/80/399501080.db2.gz UROGEDSHXPRCLI-MRXNPFEDSA-N 2 0 305.466 2.912 20 0 DFADRP C[C@H](CCC[NH3+])[NH2+]C[C@@H](C)Oc1ccc(Br)cc1 ZINC000422795311 296334567 /nfs/dbraw/zinc/33/45/67/296334567.db2.gz HILGHHQNDWVVJU-VXGBXAGGSA-N 2 0 315.255 2.933 20 0 DFADRP CO[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422795433 296334594 /nfs/dbraw/zinc/33/45/94/296334594.db2.gz VOILQYITEMMRJQ-ISARSNTHSA-N 2 0 316.445 2.790 20 0 DFADRP C[C@@H](NCc1ccc(C[NH+]2CCCCC2)cc1)[C@H]1CCC[NH2+]1 ZINC000422797127 296334685 /nfs/dbraw/zinc/33/46/85/296334685.db2.gz ZWMWAMHJPWMGGY-VQIMIIECSA-N 2 0 301.478 2.903 20 0 DFADRP CC[C@@H]1Oc2cc([C@@H](C)[NH2+][C@H](C)CCC[NH3+])ccc2NC1=O ZINC000422801694 296335559 /nfs/dbraw/zinc/33/55/59/296335559.db2.gz ADERHSMXDWTRNC-JMSVASOKSA-N 2 0 305.422 2.574 20 0 DFADRP CC(C)[C@@H]([NH3+])C(=O)Nc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000269250140 207387824 /nfs/dbraw/zinc/38/78/24/207387824.db2.gz OUXLWWSWBWSTOL-QGZVFWFLSA-N 2 0 303.450 2.984 20 0 DFADRP CCN(CC)[C@@H](C[NH2+]C1CCC([NH3+])CC1)c1cccc(OC)c1 ZINC000422798851 296335278 /nfs/dbraw/zinc/33/52/78/296335278.db2.gz TVLPSMJNEFOBIH-TVPLGVNVSA-N 2 0 319.493 2.938 20 0 DFADRP CC[NH+](CC)[C@H](CN[C@@H](C)[C@@H]1CCC[NH2+]1)c1cccc(OC)c1 ZINC000422798728 296335332 /nfs/dbraw/zinc/33/53/32/296335332.db2.gz SNRNFOCBMQLADV-ZYSHUDEJSA-N 2 0 319.493 2.808 20 0 DFADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]CCCN1CCc2ccccc2C1 ZINC000422805783 296336372 /nfs/dbraw/zinc/33/63/72/296336372.db2.gz JOABGHQIIZPPIG-HKUYNNGSSA-N 2 0 301.478 2.542 20 0 DFADRP CC[C@@H](C[NH2+][C@H]1CCC[NH2+]CC1)N1CCc2ccccc2C1 ZINC000422805819 296336442 /nfs/dbraw/zinc/33/64/42/296336442.db2.gz JQUSAWRZWHSDMF-OALUTQOASA-N 2 0 301.478 2.555 20 0 DFADRP CC[C@H](C[NH2+][C@H](C)CCCC[NH3+])N1CCc2ccccc2C1 ZINC000422802800 296335933 /nfs/dbraw/zinc/33/59/33/296335933.db2.gz DWLFGJKFNCAOAF-VQIMIIECSA-N 2 0 303.494 2.930 20 0 DFADRP CCOC(=O)C1([C@H](C)[NH2+][C@@H]2CCCC[C@@H]2CC)CC[NH2+]CC1 ZINC000422808723 296336987 /nfs/dbraw/zinc/33/69/87/296336987.db2.gz LJGOXGQFSQMSPK-HRCADAONSA-N 2 0 310.482 2.866 20 0 DFADRP C[N@@H+]1CCC[C@@H](CNc2nccc(N3Cc4ccccc4C3)n2)C1 ZINC000623955855 399503962 /nfs/dbraw/zinc/50/39/62/399503962.db2.gz MJXVBLLXCGSIGW-HNNXBMFYSA-N 2 0 323.444 2.751 20 0 DFADRP CC(C)(C[NH2+][C@H]1CCCC[C@@H]1C[NH3+])c1ccc2c(c1)OCO2 ZINC000422808117 296337018 /nfs/dbraw/zinc/33/70/18/296337018.db2.gz AJGSYEZSWZZRHY-HIFRSBDPSA-N 2 0 304.434 2.800 20 0 DFADRP CCN(CC)C(=O)c1ccc(C[NH2+]C2CCC(C[NH3+])CC2)cc1 ZINC000422810598 296337119 /nfs/dbraw/zinc/33/71/19/296337119.db2.gz NVEAZWIEJHZAKX-UHFFFAOYSA-N 2 0 317.477 2.776 20 0 DFADRP C[C@@H](NCCC[N@@H+]1CCc2ccccc2C1)c1c[nH+]ccc1N ZINC000422810040 296337200 /nfs/dbraw/zinc/33/72/00/296337200.db2.gz QWFMRCTXMLUUIT-OAHLLOKOSA-N 2 0 310.445 2.593 20 0 DFADRP C[C@H]([NH2+]Cc1ccc(CN2CCc3ccccc32)cc1)C1C[NH2+]C1 ZINC000422810291 296337315 /nfs/dbraw/zinc/33/73/15/296337315.db2.gz NHCDEUAJGKFPCJ-INIZCTEOSA-N 2 0 321.468 2.947 20 0 DFADRP [NH3+][C@@H]1CCCCC[C@@H]1NCCC[N@@H+]1CCc2ccccc2C1 ZINC000422813188 296337822 /nfs/dbraw/zinc/33/78/22/296337822.db2.gz XRUJQFHZDJZWEV-MOPGFXCFSA-N 2 0 301.478 2.684 20 0 DFADRP [NH3+][C@H]1CCCCC[C@H]1NCCC[N@@H+]1CCc2ccccc2C1 ZINC000422813192 296337867 /nfs/dbraw/zinc/33/78/67/296337867.db2.gz XRUJQFHZDJZWEV-RBUKOAKNSA-N 2 0 301.478 2.684 20 0 DFADRP C[C@H](CCCC[NH3+])[NH2+]Cc1cc(N(C)C)nc2ccccc12 ZINC000422813133 296338063 /nfs/dbraw/zinc/33/80/63/296338063.db2.gz XOGZXFQYAPOTMD-CQSZACIVSA-N 2 0 300.450 2.908 20 0 DFADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]CCCN1CCc2ccccc21 ZINC000422812036 296337567 /nfs/dbraw/zinc/33/75/67/296337567.db2.gz WYOWMXLUPMVGRP-HNNXBMFYSA-N 2 0 324.472 2.952 20 0 DFADRP C[C@H]([NH3+])C[C@H](C)[NH2+]Cc1ccc(COCC(F)(F)F)cc1 ZINC000422811594 296337662 /nfs/dbraw/zinc/33/76/62/296337662.db2.gz PKGRTHOIAGVSSQ-RYUDHWBXSA-N 2 0 304.356 2.981 20 0 DFADRP C[C@H](CCCC[NH3+])[NH2+]CCc1nccn1Cc1ccccc1 ZINC000422820585 296339283 /nfs/dbraw/zinc/33/92/83/296339283.db2.gz RIPDQNGWPKGXBU-MRXNPFEDSA-N 2 0 300.450 2.581 20 0 DFADRP C[C@@H](Nc1cc(N2CCC[C@@H](C)C2)ncn1)C1CC[NH+](C)CC1 ZINC000623969045 399507017 /nfs/dbraw/zinc/50/70/17/399507017.db2.gz UWJCYKCPMQPOAP-HUUCEWRRSA-N 2 0 317.481 2.855 20 0 DFADRP C[C@H]([NH2+]CCC1CCN(CC(F)(F)F)CC1)[C@H]1CCCC[NH2+]1 ZINC000422817736 296338737 /nfs/dbraw/zinc/33/87/37/296338737.db2.gz IDSXOGLIBYEXIP-DZGCQCFKSA-N 2 0 321.431 2.771 20 0 DFADRP CCS[C@@H]1CCC[C@H]([NH2+][C@@H]2CCOC[C@H]2[C@H]2CCC[NH2+]2)C1 ZINC000422818197 296338779 /nfs/dbraw/zinc/33/87/79/296338779.db2.gz JSLHHWMPXIDAFT-DMRKSPOLSA-N 2 0 312.523 2.797 20 0 DFADRP [NH3+]C[C@@H]1CCC[C@H]1[NH2+]CC1CC[NH+](Cc2cccs2)CC1 ZINC000422823873 296339566 /nfs/dbraw/zinc/33/95/66/296339566.db2.gz FIOVAMJXMRBDBU-DOTOQJQBSA-N 3 0 307.507 2.677 20 0 DFADRP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]CC1CC[NH+](Cc2cccs2)CC1 ZINC000422823876 296339577 /nfs/dbraw/zinc/33/95/77/296339577.db2.gz FIOVAMJXMRBDBU-RDJZCZTQSA-N 3 0 307.507 2.677 20 0 DFADRP Cc1ccc([C@H](CN[C@H](C)[C@H]2CC[NH2+]C2)[NH+]2CCCC2)cc1 ZINC000422826670 296339950 /nfs/dbraw/zinc/33/99/50/296339950.db2.gz LRUZYFCXLFENGC-NEWSRXKRSA-N 2 0 301.478 2.720 20 0 DFADRP CC[C@@H]([NH2+]CCC1CCN(CC(F)(F)F)CC1)[C@@H]1CCC[NH2+]1 ZINC000422820750 296339349 /nfs/dbraw/zinc/33/93/49/296339349.db2.gz SCVXRVTYISSXLW-CABCVRRESA-N 2 0 321.431 2.771 20 0 DFADRP FC(F)(F)C1CCC([NH2+][C@@H]2CCOC[C@H]2[C@H]2CCC[NH2+]2)CC1 ZINC000422821390 296339378 /nfs/dbraw/zinc/33/93/78/296339378.db2.gz VXCHVAFKVBHSPC-MMCPYJTDSA-N 2 0 320.399 2.854 20 0 DFADRP C[C@H]1C[N@H+](Cc2ccccc2)CCCN1C[C@@H]1CCC[NH2+]C1 ZINC000347000712 285000924 /nfs/dbraw/zinc/00/09/24/285000924.db2.gz ZUWWIKSEKGRWBL-PKOBYXMFSA-N 2 0 301.478 2.582 20 0 DFADRP C[C@@H]([NH2+]Cc1ccc(-n2cnc3ccccc32)cc1)C1C[NH2+]C1 ZINC000422827800 296340366 /nfs/dbraw/zinc/34/03/66/296340366.db2.gz NLALBDDXTCPFSX-CQSZACIVSA-N 2 0 306.413 2.723 20 0 DFADRP CCc1ccc(C(C)(C)C[NH2+][C@@H]2CCOC[C@H]2[C@H](C)[NH3+])cc1 ZINC000422839836 296342275 /nfs/dbraw/zinc/34/22/75/296342275.db2.gz RNKSACULEZRMGU-JCGIZDLHSA-N 2 0 304.478 2.869 20 0 DFADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+][C@H]1CCN(c2cccc(Cl)c2)C1 ZINC000422832342 296341342 /nfs/dbraw/zinc/34/13/42/296341342.db2.gz FUFQJEXJZGBPKR-KMFMINBZSA-N 2 0 307.869 2.896 20 0 DFADRP C[C@@H](N[C@H]1CCC[N@H+](Cc2ccccc2)C1)[C@H]1CCCC[NH2+]1 ZINC000422833298 296341431 /nfs/dbraw/zinc/34/14/31/296341431.db2.gz MHHPGCXAJBCADQ-NZSAHSFTSA-N 2 0 301.478 2.771 20 0 DFADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+][C@@H]1CCN(c2cccc(Cl)c2)C1 ZINC000422832344 296341585 /nfs/dbraw/zinc/34/15/85/296341585.db2.gz FUFQJEXJZGBPKR-UNEWFSDZSA-N 2 0 307.869 2.896 20 0 DFADRP C[C@H]([NH3+])[C@@H](Cc1ccccc1)NC1CC[NH+](C2CCCC2)CC1 ZINC000422835826 296342211 /nfs/dbraw/zinc/34/22/11/296342211.db2.gz JEEBCGDPRYNPOL-OXJNMPFZSA-N 2 0 315.505 2.942 20 0 DFADRP C[C@@H]1CC[NH2+]C[C@H]1NC[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000422841295 296342865 /nfs/dbraw/zinc/34/28/65/296342865.db2.gz VOKLGYNWZWRPFU-BFYDXBDKSA-N 2 0 307.507 2.548 20 0 DFADRP COc1ccccc1N1CC[C@H](C[NH2+][C@@H](C)[C@@H]2CCCC[NH2+]2)C1 ZINC000422853307 296345202 /nfs/dbraw/zinc/34/52/02/296345202.db2.gz RXRSKQPKNHGYEB-BBWFWOEESA-N 2 0 317.477 2.642 20 0 DFADRP C[C@@H]1CCCC[N@@H+]1CCN[C@H]1CC[NH2+][C@@H](c2ccccc2)C1 ZINC000422862933 296346701 /nfs/dbraw/zinc/34/67/01/296346701.db2.gz OFQDEEGBKVUJSI-NZSAHSFTSA-N 2 0 301.478 2.944 20 0 DFADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+][C@H]1CCN(c2ccccc2)C1 ZINC000422864189 296346791 /nfs/dbraw/zinc/34/67/91/296346791.db2.gz ULXFGYCXUDFYTQ-RDJZCZTQSA-N 2 0 310.445 2.778 20 0 DFADRP C[C@@H]1CCCC[N@@H+]1CCN[C@@H]1CC[NH2+][C@@H](c2ccccc2)C1 ZINC000422862931 296346817 /nfs/dbraw/zinc/34/68/17/296346817.db2.gz OFQDEEGBKVUJSI-BHIYHBOVSA-N 2 0 301.478 2.944 20 0 DFADRP C[C@H]([NH3+])[C@H](Cc1ccccc1)N[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000422865550 296347015 /nfs/dbraw/zinc/34/70/15/296347015.db2.gz YMNFWCDNVMJKJL-IEZWGBDMSA-N 2 0 301.478 2.551 20 0 DFADRP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]C1CCN(c2ccccn2)CC1 ZINC000422866820 296347035 /nfs/dbraw/zinc/34/70/35/296347035.db2.gz QZKAQDMCVIPKDK-QFBILLFUSA-N 2 0 324.472 2.599 20 0 DFADRP Cc1c(Cl)cccc1NC(=O)CC[NH2+][C@H](C)[C@@H]1CC[NH2+]C1 ZINC000422859637 296346052 /nfs/dbraw/zinc/34/60/52/296346052.db2.gz KOCYLIPBYKPGCT-CHWSQXEVSA-N 2 0 309.841 2.565 20 0 DFADRP FC(F)(F)CN1CCC([NH2+][C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)CC1 ZINC000422859354 296346156 /nfs/dbraw/zinc/34/61/56/296346156.db2.gz JZQUKPYBTBJOPN-RRFJBIMHSA-N 2 0 319.415 2.523 20 0 DFADRP CCOC(=O)C1([C@H](C)[NH2+]Cc2ccc(CC)s2)CC[NH2+]CC1 ZINC000422870847 296348007 /nfs/dbraw/zinc/34/80/07/296348007.db2.gz ZIGQYYTWVYQWBH-ZDUSSCGKSA-N 2 0 324.490 2.722 20 0 DFADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+][C@@H]1CCN(c2c(F)cccc2F)C1 ZINC000422871238 296348075 /nfs/dbraw/zinc/34/80/75/296348075.db2.gz YLQLBTPOQZUZPL-XJKCOSOUSA-N 2 0 309.404 2.521 20 0 DFADRP Cc1ccc(C[NH2+][C@H](C)CCCC[NH3+])c(O[C@@H]2CCOC2)c1 ZINC000422872137 296348116 /nfs/dbraw/zinc/34/81/16/296348116.db2.gz FWGMCQRROHEDCN-NVXWUHKLSA-N 2 0 306.450 2.770 20 0 DFADRP CCOCCOc1cc(C)ccc1C[NH2+][C@H]1CC[NH2+]CC[C@H]1C ZINC000422867515 296347438 /nfs/dbraw/zinc/34/74/38/296347438.db2.gz SQHQYYJTJTUASY-AEFFLSMTSA-N 2 0 320.477 2.888 20 0 DFADRP C[C@@H]([NH3+])[C@H](Cc1ccccc1)NC[C@@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC000422870835 296347678 /nfs/dbraw/zinc/34/76/78/296347678.db2.gz ZHUYIRWASDKCLQ-MTNOOBJLSA-N 2 0 303.494 2.655 20 0 DFADRP C[C@@H]1C[C@H](N[C@@H]2CCCCC[C@H]2[NH3+])C[N@@H+]1Cc1ccccc1 ZINC000422873377 296348469 /nfs/dbraw/zinc/34/84/69/296348469.db2.gz LEEOQSKOFYSKBH-QXCFHYIPSA-N 2 0 301.478 2.899 20 0 DFADRP CCOc1cccc(C[NH2+][C@@H](C)C[C@H](C)[NH3+])c1OC(F)F ZINC000422876146 296348778 /nfs/dbraw/zinc/34/87/78/296348778.db2.gz PWAFYXJWEPMMPY-QWRGUYRKSA-N 2 0 302.365 2.902 20 0 DFADRP CC[N@H+](CCN[C@@H](c1ccc(OC)cc1)[C@@H]1CCC[NH2+]1)C1CC1 ZINC000422874769 296348881 /nfs/dbraw/zinc/34/88/81/296348881.db2.gz BBGCMODYNUBBAU-OALUTQOASA-N 2 0 317.477 2.562 20 0 DFADRP [NH3+][C@H](CC1CCCCC1)C(=O)NCC[NH2+]C1CCCCCC1 ZINC000422878303 296349007 /nfs/dbraw/zinc/34/90/07/296349007.db2.gz SQDPVITZCJRODI-QGZVFWFLSA-N 2 0 309.498 2.713 20 0 DFADRP C[C@H]([NH3+])c1ccc(CNC(=O)[C@H]([NH3+])CC2CCCCC2)cc1 ZINC000422883996 296350253 /nfs/dbraw/zinc/35/02/53/296350253.db2.gz DKEHKSKLSZNVNN-SUMWQHHRSA-N 2 0 303.450 2.620 20 0 DFADRP CCOc1ccc(C2(C[NH2+][C@H](C)CCC[NH3+])CCOCC2)cc1 ZINC000422884175 296350271 /nfs/dbraw/zinc/35/02/71/296350271.db2.gz WKKIWOKDZZNIQN-MRXNPFEDSA-N 2 0 320.477 2.851 20 0 DFADRP COc1ccc(C[NH2+][C@@H](C)[C@H]2CC[NH2+]C2)cc1Br ZINC000422885628 296350514 /nfs/dbraw/zinc/35/05/14/296350514.db2.gz YZZFEEGRKJFXEG-JQWIXIFHSA-N 2 0 313.239 2.545 20 0 DFADRP Fc1ccc(C[NH2+][C@@H]2CCOC[C@@H]2[C@@H]2CCC[NH2+]2)cc1Cl ZINC000422885440 296350585 /nfs/dbraw/zinc/35/05/85/296350585.db2.gz YQDLDEVVMWSKEM-UHOFOFEASA-N 2 0 312.816 2.726 20 0 DFADRP COc1ccc(CC[NH2+][C@@H](C)C[C@H](C)[NH3+])cc1OC(F)F ZINC000422879835 296349467 /nfs/dbraw/zinc/34/94/67/296349467.db2.gz MVDVJELSODFMHQ-QWRGUYRKSA-N 2 0 302.365 2.555 20 0 DFADRP [NH3+]C[C@H]1CCCC[C@H]1[NH2+]Cc1ccc(N2CCCCC2)nc1 ZINC000422878958 296349490 /nfs/dbraw/zinc/34/94/90/296349490.db2.gz LNKKQWBNFHYSHD-IAGOWNOFSA-N 2 0 302.466 2.679 20 0 DFADRP CC1CCN(c2ccc(C[NH2+][C@H]3CCC[C@H]3C[NH3+])cn2)CC1 ZINC000422886953 296351001 /nfs/dbraw/zinc/35/10/01/296351001.db2.gz AENJUKGZJKSHJP-IRXDYDNUSA-N 2 0 302.466 2.535 20 0 DFADRP CCOC(=O)C1([C@@H](C)[NH2+]CC2(CC)CCCC2)CC[NH2+]CC1 ZINC000422890151 296351353 /nfs/dbraw/zinc/35/13/53/296351353.db2.gz RJSUEJCFSIVTJA-OAHLLOKOSA-N 2 0 310.482 2.868 20 0 DFADRP Cc1nc(C[NH3+])ccc1[C@H](C)NCC[NH+]1[C@@H](C)CCC[C@@H]1C ZINC000422891960 296351475 /nfs/dbraw/zinc/35/14/75/296351475.db2.gz WZTHCQNMJNJXHI-KKUMJFAQSA-N 2 0 304.482 2.762 20 0 DFADRP COc1cc(OC)c(CC[NH2+][C@@H]2CCCCC[C@@H]2[NH3+])c(OC)c1 ZINC000422886827 296350836 /nfs/dbraw/zinc/35/08/36/296350836.db2.gz JSRPFHXQGXGBPM-JKSUJKDBSA-N 2 0 322.449 2.505 20 0 DFADRP Cc1cc(C)n(-c2ccccc2C[NH2+][C@@H]2CC[NH2+]CC[C@H]2C)n1 ZINC000422886696 296350840 /nfs/dbraw/zinc/35/08/40/296350840.db2.gz JPABPGYNBOCSMI-RDTXWAMCSA-N 2 0 312.461 2.967 20 0 DFADRP C[C@H](N[C@H]1[C@H](C)C[N@@H+](Cc2ccccc2)C[C@@H]1C)[C@H]1CCC[NH2+]1 ZINC000422887061 296350870 /nfs/dbraw/zinc/35/08/70/296350870.db2.gz JXTSWTJYQZGEDB-YQXATGRUSA-N 2 0 315.505 2.873 20 0 DFADRP [NH3+][C@@H]1CCCCC[C@H]1[NH2+]C[C@H]1CCN(c2ccc(F)cc2)C1 ZINC000422898685 296352672 /nfs/dbraw/zinc/35/26/72/296352672.db2.gz MQZVJTFETHQVCH-ZTFGCOKTSA-N 2 0 305.441 2.902 20 0 DFADRP Cc1nccn1-c1ccc(C[NH2+][C@H]2CCC[C@@H]2C[NH3+])cc1F ZINC000422899838 296352703 /nfs/dbraw/zinc/35/27/03/296352703.db2.gz IHECPJKQUJLGSC-ZBFHGGJFSA-N 2 0 302.397 2.537 20 0 DFADRP [NH3+][C@@H]1CCCCC[C@H]1[NH2+]C[C@@H]1CCN(c2ccc(F)cc2)C1 ZINC000422898682 296352757 /nfs/dbraw/zinc/35/27/57/296352757.db2.gz MQZVJTFETHQVCH-BMGDILEWSA-N 2 0 305.441 2.902 20 0 DFADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccnc(N2CCCCC2)c1 ZINC000422900195 296352870 /nfs/dbraw/zinc/35/28/70/296352870.db2.gz QBONPZYGMNYKEW-IRXDYDNUSA-N 2 0 302.466 2.679 20 0 DFADRP Cc1cccc(OC[C@H](O)C[NH2+][C@H](C)C[C@@H]2CCCCC[NH2+]2)c1 ZINC000422901876 296353109 /nfs/dbraw/zinc/35/31/09/296353109.db2.gz SQQNEZNVWUJAOQ-FGTMMUONSA-N 2 0 320.477 2.635 20 0 DFADRP C[C@H]([NH2+]C[C@H]1CCN(c2ccc(F)cc2)C1)[C@@H]1CCCC[NH2+]1 ZINC000422902668 296353432 /nfs/dbraw/zinc/35/34/32/296353432.db2.gz UXUMDLNGNJFPSF-DAYGRLMNSA-N 2 0 305.441 2.772 20 0 DFADRP C[C@H]1CC[NH2+]CC[C@@H]1[NH2+]Cc1ccc(N2CCCCCC2)nc1 ZINC000422894799 296351964 /nfs/dbraw/zinc/35/19/64/296351964.db2.gz ULYSWOJDKFXUOA-WMZOPIPTSA-N 2 0 316.493 2.940 20 0 DFADRP CC[C@@H](NCc1ccc(OCC[NH+](C)C)cc1)[C@H]1CCCC[NH2+]1 ZINC000422896410 296352272 /nfs/dbraw/zinc/35/22/72/296352272.db2.gz IDZTUHWSRTVDLO-RTBURBONSA-N 2 0 319.493 2.637 20 0 DFADRP Cc1ccccc1C[NH+]1CCC(N[C@H]2CCC[NH2+]CC2)CC1 ZINC000422904915 296353767 /nfs/dbraw/zinc/35/37/67/296353767.db2.gz YHYXBUSTPXJMJY-SFHVURJKSA-N 2 0 301.478 2.691 20 0 DFADRP C[C@@H]([NH2+]CC1(c2ccc3c(c2)OCO3)CCCCC1)C1C[NH2+]C1 ZINC000422905475 296354145 /nfs/dbraw/zinc/35/41/45/296354145.db2.gz ZDMNLRGHJYDQCN-CQSZACIVSA-N 2 0 316.445 2.815 20 0 DFADRP CC[C@@H]([NH2+]C1CCC(C[NH3+])CC1)c1nnc2n1CCCCC2 ZINC000422907243 296354196 /nfs/dbraw/zinc/35/41/96/296354196.db2.gz LFBUAYDEEHHQLC-YMAMQOFZSA-N 2 0 305.470 2.563 20 0 DFADRP CC(C)C(=O)Nc1ccc(C[NH2+][C@H]2CC[N@H+](C)C[C@H]2C)cc1 ZINC000119823282 195043763 /nfs/dbraw/zinc/04/37/63/195043763.db2.gz GRNTZCUAKWSGDV-PBHICJAKSA-N 2 0 303.450 2.711 20 0 DFADRP CCc1cccc2c(CC[NH2+][C@@H]3CCOC[C@H]3[C@H](C)[NH3+])c[nH]c21 ZINC000422915177 296355419 /nfs/dbraw/zinc/35/54/19/296355419.db2.gz XLXFQNPAMBYMJD-DOPJRALCSA-N 2 0 315.461 2.615 20 0 DFADRP C[N@@H+]1CCC[C@@H]2CN(C(=O)c3ccc(-c4c[nH]cn4)cc3)CC[C@@H]21 ZINC000631881522 399516160 /nfs/dbraw/zinc/51/61/60/399516160.db2.gz BQGFDCCJLSMVRD-AEFFLSMTSA-N 2 0 324.428 2.633 20 0 DFADRP C[C@H]1CC[NH2+]CC[C@H]1[NH2+]Cc1cc(Cl)c2c(c1)OCCCO2 ZINC000422926481 296355998 /nfs/dbraw/zinc/35/59/98/296355998.db2.gz DEHSTBHUMNBWFT-SWLSCSKDSA-N 2 0 324.852 2.979 20 0 DFADRP C[C@H]1CC[NH2+]CC[C@H]1[NH2+]Cc1ccc(Br)s1 ZINC000422925267 296356044 /nfs/dbraw/zinc/35/60/44/296356044.db2.gz ATUIZYQVGGDUMT-GXSJLCMTSA-N 2 0 303.269 2.988 20 0 DFADRP CCc1cccc2c(CC[NH2+][C@@H]3CCOC[C@@H]3[C@@H](C)[NH3+])c[nH]c21 ZINC000422915178 296355186 /nfs/dbraw/zinc/35/51/86/296355186.db2.gz XLXFQNPAMBYMJD-FSPWUOQZSA-N 2 0 315.461 2.615 20 0 DFADRP c1ccc2c(c1)SCC[C@@H]2[NH2+][C@@H]1CCOC[C@H]1[C@H]1CCC[NH2+]1 ZINC000422928750 296356591 /nfs/dbraw/zinc/35/65/91/296356591.db2.gz MKOISKOVLSJSOA-HZMVEIRTSA-N 2 0 318.486 2.970 20 0 DFADRP CCOC(=O)C1([C@H](C)[NH2+]CC2(CC(C)C)CC2)CC[NH2+]CC1 ZINC000422928484 296356622 /nfs/dbraw/zinc/35/66/22/296356622.db2.gz KSHWBWOORSXIJQ-HNNXBMFYSA-N 2 0 310.482 2.724 20 0 DFADRP COC[C@@H](CCC[NH3+])[NH2+][C@H](C)c1cccc(OC(F)(F)F)c1 ZINC000422930609 296356727 /nfs/dbraw/zinc/35/67/27/296356727.db2.gz VFYUKLUQBMFNKE-DGCLKSJQSA-N 2 0 320.355 2.990 20 0 DFADRP [NH3+][C@H]1CCC[C@H]1[NH2+]CCc1ccc(F)c(Br)c1 ZINC000422931307 296356819 /nfs/dbraw/zinc/35/68/19/296356819.db2.gz BMAUVIKAEWIBAL-QWHCGFSZSA-N 2 0 301.203 2.600 20 0 DFADRP C[C@@H](CCCC[NH3+])[NH2+]Cc1ccc(C(=O)N2CCCCC2)cc1 ZINC000422930766 296356845 /nfs/dbraw/zinc/35/68/45/296356845.db2.gz VUWQSEJHPKXJKS-INIZCTEOSA-N 2 0 317.477 2.920 20 0 DFADRP C[C@H](CCCC[NH3+])[NH2+]Cc1ccc(C(=O)N2CCCCC2)cc1 ZINC000422930767 296356858 /nfs/dbraw/zinc/35/68/58/296356858.db2.gz VUWQSEJHPKXJKS-MRXNPFEDSA-N 2 0 317.477 2.920 20 0 DFADRP [NH3+]C1CCC([NH2+]CCc2cc(Cl)c3c(c2)OCCO3)CC1 ZINC000422930677 296356907 /nfs/dbraw/zinc/35/69/07/296356907.db2.gz VLKKYUMKAFEZHX-UHFFFAOYSA-N 2 0 310.825 2.513 20 0 DFADRP CC[NH+]1CCN(c2ccccc2NC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000422922815 296356260 /nfs/dbraw/zinc/35/62/60/296356260.db2.gz QRXRHEBITRBZPX-SJPCQFCGSA-N 2 0 314.477 2.523 20 0 DFADRP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]Cc1ccc(C(=O)N2CCCCC2)cc1 ZINC000422928057 296356439 /nfs/dbraw/zinc/35/64/39/296356439.db2.gz IQOYTTXPIIPGKU-ROUUACIJSA-N 2 0 315.461 2.530 20 0 DFADRP [NH3+]C1CCC([NH2+]CCOc2ccc(Br)cc2)CC1 ZINC000422939905 296358241 /nfs/dbraw/zinc/35/82/41/296358241.db2.gz GJLQWIQXJPTZBZ-UHFFFAOYSA-N 2 0 313.239 2.687 20 0 DFADRP c1cc2c(cc1[C@@H]([NH2+][C@@H]1CCC[NH2+]CC1)C1CC1)OCCO2 ZINC000422938572 296358278 /nfs/dbraw/zinc/35/82/78/296358278.db2.gz HEZRGCYVTDVYFR-QAPCUYQASA-N 2 0 302.418 2.641 20 0 DFADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]CCOc1ccc(F)cc1 ZINC000422936044 296357451 /nfs/dbraw/zinc/35/74/51/296357451.db2.gz HTUDLOPAJOYOAJ-GFCCVEGCSA-N 2 0 303.381 2.717 20 0 DFADRP C[C@H]([NH2+]CCc1ccc(F)c(Br)c1)[C@@H]1CC[NH2+]C1 ZINC000422935952 296357618 /nfs/dbraw/zinc/35/76/18/296357618.db2.gz LJFGUUQMXJMYLF-CMPLNLGQSA-N 2 0 315.230 2.718 20 0 DFADRP [NH3+]C1CCC([NH2+]CCOc2cccc(C(F)(F)F)c2)CC1 ZINC000422945736 296359093 /nfs/dbraw/zinc/35/90/93/296359093.db2.gz NOPYWIQWFIZREB-UHFFFAOYSA-N 2 0 302.340 2.944 20 0 DFADRP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1[NH2+]Cc1ccc(OC2CCCC2)cc1 ZINC000422948505 296359604 /nfs/dbraw/zinc/35/96/04/296359604.db2.gz SBAYLJVGUTXGAO-JVPBZIDWSA-N 2 0 318.461 2.850 20 0 DFADRP C[C@H](CCCC[NH3+])[NH2+]C1CCN(C(=O)NC2CCCCC2)CC1 ZINC000422952370 296359932 /nfs/dbraw/zinc/35/99/32/296359932.db2.gz AUHJPTGWVWZEHJ-OAHLLOKOSA-N 2 0 324.513 2.600 20 0 DFADRP CC[C@](C[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1)(C(=O)OC)c1ccccc1 ZINC000602695861 399524644 /nfs/dbraw/zinc/52/46/44/399524644.db2.gz PSJDZTZAPDRRLQ-KVSKMBFKSA-N 2 0 318.461 2.580 20 0 DFADRP FC(F)(F)c1ccccc1OCC[NH2+][C@H]1CCC[NH2+]CC1 ZINC000422958346 296361011 /nfs/dbraw/zinc/36/10/11/296361011.db2.gz PIJXUYZLLCCFJS-LBPRGKRZSA-N 2 0 302.340 2.816 20 0 DFADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]CCCNC(=O)c1cccs1 ZINC000422954320 296360199 /nfs/dbraw/zinc/36/01/99/296360199.db2.gz IBSLRQXWGPSEPE-CABCVRRESA-N 2 0 323.506 2.768 20 0 DFADRP Cc1csc([C@@H](C)[NH2+]CC2CC[NH+](C3CCOCC3)CC2)n1 ZINC000624009901 399521897 /nfs/dbraw/zinc/52/18/97/399521897.db2.gz DELZYGISYFGXRU-CQSZACIVSA-N 2 0 323.506 2.993 20 0 DFADRP COC(=O)CC[C@@H]([NH2+]C1CCC(C[NH3+])CC1)c1ccccc1 ZINC000422952999 296360490 /nfs/dbraw/zinc/36/04/90/296360490.db2.gz DQOMTRUTNGTQIM-BDVYOWHSSA-N 2 0 304.434 2.788 20 0 DFADRP C[C@H]([NH3+])C[C@H](C)[NH2+]CCc1nc(-c2ccc(Cl)cc2)no1 ZINC000422955388 296360561 /nfs/dbraw/zinc/36/05/61/296360561.db2.gz JDTYXXWFMYBYRD-QWRGUYRKSA-N 2 0 308.813 2.648 20 0 DFADRP CC[C@H](CN[C@@H]1CC[NH2+][C@@H](c2ccccc2)C1)[NH+]1CCCC1 ZINC000422961366 296361255 /nfs/dbraw/zinc/36/12/55/296361255.db2.gz BLUNGACYFYDSOG-GUDVDZBRSA-N 2 0 301.478 2.944 20 0 DFADRP Cc1noc(C)c1[C@H](C)C[NH2+][C@@H](Cc1ccccc1)[C@@H](C)[NH3+] ZINC000422962028 296361283 /nfs/dbraw/zinc/36/12/83/296361283.db2.gz BRUPZQMFVGSTOH-XNJGSVPQSA-N 2 0 301.434 2.943 20 0 DFADRP C[C@H](c1ccncc1)N1CCC([NH2+][C@H]2CCCC[C@H]2C[NH3+])CC1 ZINC000422963709 296361657 /nfs/dbraw/zinc/36/16/57/296361657.db2.gz GOLZBFHCEDNJQD-AYBZRNKSSA-N 2 0 316.493 2.714 20 0 DFADRP C[C@H](c1ccncc1)N1CCC([NH2+][C@@H]2CCCC[C@@H]2C[NH3+])CC1 ZINC000422963712 296361734 /nfs/dbraw/zinc/36/17/34/296361734.db2.gz GOLZBFHCEDNJQD-SZVBFZGTSA-N 2 0 316.493 2.714 20 0 DFADRP CC[C@@H]([NH2+]C[C@H](c1ccccc1)C(C)(C)CO)[C@@H]1CCC[NH2+]1 ZINC000422965187 296361874 /nfs/dbraw/zinc/36/18/74/296361874.db2.gz KMZZARXLOCASEU-KURKYZTESA-N 2 0 304.478 2.909 20 0 DFADRP [NH3+]C1CCC([NH2+]CCNc2cccc(Br)c2)CC1 ZINC000422966682 296361904 /nfs/dbraw/zinc/36/19/04/296361904.db2.gz RSCDQOOOUBIXFG-UHFFFAOYSA-N 2 0 312.255 2.721 20 0 DFADRP [NH3+]C1CCC(Nc2cccc(C[NH+]3CCSCC3)c2)CC1 ZINC000422957966 296361154 /nfs/dbraw/zinc/36/11/54/296361154.db2.gz WIGVZLIXSQJGRB-UHFFFAOYSA-N 2 0 305.491 2.917 20 0 DFADRP C[C@@H](NC[C@@H](c1ccco1)[NH+]1CCCCC1)[C@@H]1CCCC[NH2+]1 ZINC000422967921 296362709 /nfs/dbraw/zinc/36/27/09/296362709.db2.gz UZJBNXFMYNYWBK-IKGGRYGDSA-N 2 0 305.466 2.927 20 0 DFADRP CC[C@H]1C[N@@H+]2CCC[C@H]2CN1c1nc2ccccc2n2cncc12 ZINC000624024173 399527773 /nfs/dbraw/zinc/52/77/73/399527773.db2.gz ZXUDYDIOXKRHMQ-GJZGRUSLSA-N 2 0 321.428 2.946 20 0 DFADRP C[C@@H](NC1CC[NH+]([C@H](C)c2ccncc2)CC1)[C@H]1CCCC[NH2+]1 ZINC000422970727 296363127 /nfs/dbraw/zinc/36/31/27/296363127.db2.gz WTTRWQPFFIZOHE-GPMSIDNRSA-N 2 0 316.493 2.727 20 0 DFADRP c1cc(-c2ccccc2)oc1C[NH2+][C@@H](C1CC1)[C@@H]1CNCCO1 ZINC000422976852 296363224 /nfs/dbraw/zinc/36/32/24/296363224.db2.gz VRQQMYDUZIDNFN-OALUTQOASA-N 2 0 312.413 2.803 20 0 DFADRP Cc1nn(-c2ccccc2)cc1CCC[NH2+][C@@H]1CCC[C@H]1C[NH3+] ZINC000422966371 296362213 /nfs/dbraw/zinc/36/22/13/296362213.db2.gz RETBRRYXPKTELM-QFBILLFUSA-N 2 0 312.461 2.830 20 0 DFADRP C[C@H]([NH3+])[C@H]1COCC[C@H]1[NH2+]Cc1ccc(-c2ccccc2)o1 ZINC000422966744 296362314 /nfs/dbraw/zinc/36/23/14/296362314.db2.gz AMLHXQGDVYIPBL-IAOVAPTHSA-N 2 0 300.402 2.789 20 0 DFADRP c1oc2ccccc2c1C[NH2+][C@@H]1CCOC[C@H]1[C@H]1CCC[NH2+]1 ZINC000422976742 296363442 /nfs/dbraw/zinc/36/34/42/296363442.db2.gz DTFBDJGIKHQSIF-GVDBMIGSSA-N 2 0 300.402 2.680 20 0 DFADRP c1cc(-c2ccccc2)oc1C[NH2+][C@@H](C1CC1)[C@H]1CNCCO1 ZINC000422976851 296363472 /nfs/dbraw/zinc/36/34/72/296363472.db2.gz VRQQMYDUZIDNFN-MOPGFXCFSA-N 2 0 312.413 2.803 20 0 DFADRP [NH3+]C[C@H]1CCC[C@H]1[NH2+]Cc1ccnc(OCc2ccccc2)c1 ZINC000422977700 296363679 /nfs/dbraw/zinc/36/36/79/296363679.db2.gz XILVMMLLSSIYCY-QZTJIDSGSA-N 2 0 311.429 2.878 20 0 DFADRP CC(C)C[N@@H+]1CCC[C@H](C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)C1 ZINC000422992524 296364812 /nfs/dbraw/zinc/36/48/12/296364812.db2.gz CUZIDBYXTLVEEX-YDZRNGNQSA-N 2 0 307.526 2.865 20 0 DFADRP CC(C)C[N@@H+]1CCC[C@H](C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)C1 ZINC000422992523 296365033 /nfs/dbraw/zinc/36/50/33/296365033.db2.gz CUZIDBYXTLVEEX-NCXUSEDFSA-N 2 0 307.526 2.865 20 0 DFADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+][C@H](C)[C@@H](O)Cc1ccccc1 ZINC000422996699 296365288 /nfs/dbraw/zinc/36/52/88/296365288.db2.gz MVTAKJORLJHNPC-FPAYPSAMSA-N 2 0 304.478 2.879 20 0 DFADRP Cc1ccc([C@@H](Cn2ccnc2)[NH2+][C@@H](C)CCC[NH3+])c(C)c1 ZINC000422997401 296365309 /nfs/dbraw/zinc/36/53/09/296365309.db2.gz OAXHQKCMLWXRRR-FUHWJXTLSA-N 2 0 300.450 2.958 20 0 DFADRP Cc1cncc(C[NH2+][C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)c1 ZINC000423010233 296367082 /nfs/dbraw/zinc/36/70/82/296367082.db2.gz FYJQTHDJVXPQNA-HKUYNNGSSA-N 2 0 309.413 2.736 20 0 DFADRP C[C@H]([NH2+]Cc1ccccc1C[N@H+](C)Cc1ccco1)C1C[NH2+]C1 ZINC000423011103 296367284 /nfs/dbraw/zinc/36/72/84/296367284.db2.gz YZXIKVQUQPDJOY-HNNXBMFYSA-N 3 0 313.445 2.609 20 0 DFADRP Cc1cn2c(n1)[C@H](C[NH2+][C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1)CCC2 ZINC000423006142 296366563 /nfs/dbraw/zinc/36/65/63/296366563.db2.gz OGAYEJHMJREWMR-WNRNVDISSA-N 2 0 316.493 2.969 20 0 DFADRP C[C@H]1C[C@H](CC[NH2+][C@H]2CNCC[C@H]2C)C[N@@H+]1Cc1ccccc1 ZINC000423006557 296366835 /nfs/dbraw/zinc/36/68/35/296366835.db2.gz VTDGRWSYWSYCQU-UMGGQSCQSA-N 2 0 315.505 2.875 20 0 DFADRP C[C@H]([NH2+][C@@H](C)[C@H]1CCC[NH2+]C1)c1cnn(Cc2ccccc2)c1 ZINC000423015737 296368075 /nfs/dbraw/zinc/36/80/75/296368075.db2.gz RKFKKURBDUWASD-BQFCYCMXSA-N 2 0 312.461 2.970 20 0 DFADRP [NH3+][C@H]1CCCCC[C@@H]1[NH2+]CCOc1cccc(C(F)(F)F)n1 ZINC000423011023 296367414 /nfs/dbraw/zinc/36/74/14/296367414.db2.gz HYZYTELAACUQQG-RYUDHWBXSA-N 2 0 317.355 2.729 20 0 DFADRP C[C@H](C[NH2+]C1CCC(C[NH3+])CC1)c1nc(-c2ccccc2)no1 ZINC000423010755 296367478 /nfs/dbraw/zinc/36/74/78/296367478.db2.gz HMHCOVRCXMXLEP-VQCLRJIVSA-N 2 0 314.433 2.947 20 0 DFADRP CC(C)[NH+]1CCN(c2cccc(N[C@@H](C)CCC[NH3+])c2)CC1 ZINC000423023640 296368995 /nfs/dbraw/zinc/36/89/95/296368995.db2.gz HVBSIVTWJLISBO-INIZCTEOSA-N 2 0 304.482 2.756 20 0 DFADRP COc1ccccc1OC[C@H](C)C[NH2+][C@H]1CCCCC[C@@H]1[NH3+] ZINC000423022036 296369041 /nfs/dbraw/zinc/36/90/41/296369041.db2.gz GVGRDCKBIFXQRM-PMPSAXMXSA-N 2 0 306.450 2.960 20 0 DFADRP COc1ccc([C@H](OC)[C@H](C)[NH2+]C2CCC(C[NH3+])CC2)cc1 ZINC000423019128 296368437 /nfs/dbraw/zinc/36/84/37/296368437.db2.gz UCXGLJQHHAFVBY-RXVBYEJPSA-N 2 0 306.450 2.878 20 0 DFADRP Cc1cc(C[NH+](C)C)cc(N[C@@H]2CCC[C@@H]2[C@H]2COCC[NH2+]2)c1 ZINC000423021998 296368710 /nfs/dbraw/zinc/36/87/10/296368710.db2.gz DINVRLWNXWIQIC-IPMKNSEASA-N 2 0 317.477 2.626 20 0 DFADRP COC[C@H](CCC[NH3+])[NH2+][C@@H](C)[C@@H](OC)c1ccccc1Cl ZINC000423029405 296369575 /nfs/dbraw/zinc/36/95/75/296369575.db2.gz AASYRAMTWUMPMG-HEHGZKQESA-N 2 0 314.857 2.760 20 0 DFADRP C[C@H](CCCC[NH3+])[NH2+]CCCc1nc(-c2ccc(F)cc2)no1 ZINC000423030185 296369916 /nfs/dbraw/zinc/36/99/16/296369916.db2.gz JLAQLFJVSMKXLO-CYBMUJFWSA-N 2 0 320.412 2.915 20 0 DFADRP Cc1cc(C[NH+](C)C)cc(N[C@@H]2CCOC[C@@H]2[C@H]2CCC[NH2+]2)c1 ZINC000423031318 296369996 /nfs/dbraw/zinc/36/99/96/296369996.db2.gz UWENFKLXHRXSCO-GUDVDZBRSA-N 2 0 317.477 2.626 20 0 DFADRP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]C[C@@H](O)CCc1ccccc1 ZINC000423039038 296370468 /nfs/dbraw/zinc/37/04/68/296370468.db2.gz ZXPPSIIZRODCIC-VDGAXYAQSA-N 2 0 312.457 2.528 20 0 DFADRP Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)[NH2+][C@@H](C)C[C@H](C)[NH3+] ZINC000423039228 296370624 /nfs/dbraw/zinc/37/06/24/296370624.db2.gz FBZJRDBIUQUTGU-GUBZILKMSA-N 2 0 306.376 2.839 20 0 DFADRP Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)[NH2+][C@@H](C)C[C@@H](C)[NH3+] ZINC000423039229 296370642 /nfs/dbraw/zinc/37/06/42/296370642.db2.gz FBZJRDBIUQUTGU-UTLUCORTSA-N 2 0 306.376 2.839 20 0 DFADRP Fc1ccc(N2CC[C@H]([NH2+][C@H]3CCC[NH2+]CC3)C2)cc1Cl ZINC000423037852 296370658 /nfs/dbraw/zinc/37/06/58/296370658.db2.gz CGMPXKUZEAXDAS-STQMWFEESA-N 2 0 311.832 2.790 20 0 DFADRP CCC(CC)[C@@H]1C[C@H]([NH2+][C@@H]2CCOC[C@H]2[C@H]2CCC[NH2+]2)CCO1 ZINC000423040163 296370894 /nfs/dbraw/zinc/37/08/94/296370894.db2.gz GSJRWLLOGBCAQA-ZRSRNVLSSA-N 2 0 324.509 2.717 20 0 DFADRP CC(C)N1CC[C@H]([NH2+][C@@H](C)C2C[NH2+]C2)[C@H]1c1ccc(F)c(F)c1 ZINC000423042617 296371039 /nfs/dbraw/zinc/37/10/39/296371039.db2.gz LKGBYHOMNMCMAJ-UYHISHBKSA-N 2 0 323.431 2.686 20 0 DFADRP c1cc2c(s1)CCC[C@@H]2[NH2+][C@@H]1CCOC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000423044021 296371215 /nfs/dbraw/zinc/37/12/15/296371215.db2.gz ANNHSMFCRHPUFP-FXUDXRNXSA-N 2 0 306.475 2.872 20 0 DFADRP C[NH+]1CCC(C)(C[NH2+][C@H]2CCN[C@H](c3ccccc3)C2)CC1 ZINC000423047037 296371623 /nfs/dbraw/zinc/37/16/23/296371623.db2.gz UMYIVEZOOYHCEO-ROUUACIJSA-N 2 0 301.478 2.801 20 0 DFADRP C[C@H]([NH2+][C@@H]1C[C@@H](OCc2ccccc2)C1(C)C)[C@H]1CC[NH2+]C1 ZINC000423053373 296372387 /nfs/dbraw/zinc/37/23/87/296372387.db2.gz RUMLZZJADGGSJW-DZJNRPSUSA-N 2 0 302.462 2.958 20 0 DFADRP COc1ccccc1[C@H](C[NH2+][C@@H]1CCC[C@@H]1C[NH3+])OC(C)C ZINC000423053414 296372427 /nfs/dbraw/zinc/37/24/27/296372427.db2.gz RZPXXQSBPWJHIF-KYJSFNMBSA-N 2 0 306.450 2.878 20 0 DFADRP C[C@H]1CC[C@@H]([NH2+]CCCN2CCC[C@H]2C(N)=O)c2sccc21 ZINC000624086346 399548448 /nfs/dbraw/zinc/54/84/48/399548448.db2.gz BZSNTBGJPRUDAQ-CFVMTHIKSA-N 2 0 321.490 2.616 20 0 DFADRP Cc1ccccc1C[C@H](CO)[NH2+][C@@H](C)C[C@H]1CCCCC[NH2+]1 ZINC000423056139 296372724 /nfs/dbraw/zinc/37/27/24/296372724.db2.gz FDMPPQSVWZWFBQ-QXAKKESOSA-N 2 0 304.478 2.799 20 0 DFADRP C[N@H+](Cc1ccccc1)[C@H](CN[C@H]1CCC[C@@H]1C[NH3+])C1CC1 ZINC000423048820 296372188 /nfs/dbraw/zinc/37/21/88/296372188.db2.gz AEWJQHNVHJTUHH-CEXWTWQISA-N 2 0 301.478 2.614 20 0 DFADRP CN(Cc1ccccc1)[C@@H](C[NH2+]C1CCC([NH3+])CC1)C1CC1 ZINC000423059004 296373288 /nfs/dbraw/zinc/37/32/88/296373288.db2.gz DTGKLXJXKSBSET-ACBHZAAOSA-N 2 0 301.478 2.757 20 0 DFADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]CCN1CCc2c(Cl)cccc2C1 ZINC000423061454 296373503 /nfs/dbraw/zinc/37/35/03/296373503.db2.gz QRTKWRCJVAGRKC-KSSFIOAISA-N 2 0 321.896 2.805 20 0 DFADRP CC[C@H]([NH2+]C[C@]1(O)CCC[C@H](C(F)(F)F)C1)[C@H]1CCCC[NH2+]1 ZINC000423058465 296373049 /nfs/dbraw/zinc/37/30/49/296373049.db2.gz JNFBZDNYDSFUCF-XQLPTFJDSA-N 2 0 322.415 2.980 20 0 DFADRP C[C@H](CCC[NH3+])[NH2+]CCCOc1ccc(C(F)(F)F)cn1 ZINC000423069050 296374503 /nfs/dbraw/zinc/37/45/03/296374503.db2.gz CXPCRGXBKUZEFK-LLVKDONJSA-N 2 0 305.344 2.586 20 0 DFADRP C[C@@H]1CC[NH2+]C[C@@H]1NC[C@]1(C)CCC[N@@H+]1Cc1ccccc1 ZINC000423064871 296373987 /nfs/dbraw/zinc/37/39/87/296373987.db2.gz SHMVDDHGECCJTF-NEWSRXKRSA-N 2 0 301.478 2.629 20 0 DFADRP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]C[C@@H]1Cc2ccccc2N(C)C1 ZINC000423064944 296374090 /nfs/dbraw/zinc/37/40/90/296374090.db2.gz ZYXSFUWYTPHNSV-XKGZKEIXSA-N 2 0 323.484 2.843 20 0 DFADRP COCCC[NH+]1CCC([NH2+][C@@H](C)c2ccc(OC)cc2)CC1 ZINC000159197757 197334977 /nfs/dbraw/zinc/33/49/77/197334977.db2.gz QPFWESUKXNCVRH-HNNXBMFYSA-N 2 0 306.450 2.847 20 0 DFADRP C[C@H]([NH3+])[C@@H](Cc1ccccc1)NCC(C)(C)C[NH+]1CCCC1 ZINC000423071404 296374847 /nfs/dbraw/zinc/37/48/47/296374847.db2.gz HTVXNLGOTLHSJL-FUHWJXTLSA-N 2 0 303.494 2.657 20 0 DFADRP COC[C@@H](CCC[NH3+])[NH2+][C@@H](C)c1nc(C(F)(F)F)cs1 ZINC000423080979 296376092 /nfs/dbraw/zinc/37/60/92/296376092.db2.gz CBYGWRRTKMNJAB-DTWKUNHWSA-N 2 0 311.373 2.566 20 0 DFADRP Cc1noc(C[C@@H]([NH2+][C@H](C)CCCC[NH3+])c2ccccc2)n1 ZINC000423077326 296375492 /nfs/dbraw/zinc/37/54/92/296375492.db2.gz SYAALNVXFQKSKL-CZUORRHYSA-N 2 0 302.422 2.769 20 0 DFADRP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+]C[C@]1(CO)C[C@@H]1c1ccc(F)cc1 ZINC000423075763 296375589 /nfs/dbraw/zinc/37/55/89/296375589.db2.gz PFBBODHYLRDBQP-BDXSIMOUSA-N 2 0 306.425 2.541 20 0 DFADRP C[C@H](CCc1cccc(F)c1)[NH+]1CCC([N@H+](C)CCO)CC1 ZINC000272968752 210352604 /nfs/dbraw/zinc/35/26/04/210352604.db2.gz NVBODAJWBVKJFU-OAHLLOKOSA-N 2 0 308.441 2.535 20 0 DFADRP C[C@@H](NC[C@H]1CC[N@H+](Cc2ccccc2)C1)c1c[nH+]ccc1N ZINC000423086751 296376681 /nfs/dbraw/zinc/37/66/81/296376681.db2.gz NYGKZMXBLKMSQB-NVXWUHKLSA-N 3 0 310.445 2.667 20 0 DFADRP COC[C@@H](CCC[NH3+])[NH2+][C@H](c1ccc(C)cc1)c1ccccn1 ZINC000423085590 296376763 /nfs/dbraw/zinc/37/67/63/296376763.db2.gz KWMMQCTWICVWRJ-IEBWSBKVSA-N 2 0 313.445 2.823 20 0 DFADRP CC[NH+](CC)[C@H](C)CN[C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423086676 296376786 /nfs/dbraw/zinc/37/67/86/296376786.db2.gz NRHKPEJDSIETJK-SUMDDJOVSA-N 2 0 317.477 2.562 20 0 DFADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]CC1CCN(c2ccccc2)CC1 ZINC000423091314 296377214 /nfs/dbraw/zinc/37/72/14/296377214.db2.gz ZWHQEIFKDRZZSH-APWZRJJASA-N 2 0 301.478 2.881 20 0 DFADRP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]C[C@@](C)(O)C1CCCCC1 ZINC000423082995 296376439 /nfs/dbraw/zinc/37/64/39/296376439.db2.gz XZJIRSOCOCPKAJ-ZYSHUDEJSA-N 2 0 304.478 2.866 20 0 DFADRP COc1ccc(OCCC[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)cc1 ZINC000158779771 197300699 /nfs/dbraw/zinc/30/06/99/197300699.db2.gz QOOKXQYMRZFHIO-LPHOPBHVSA-N 2 0 318.461 2.880 20 0 DFADRP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1[NH2+][C@H]1CC[C@@H](c2ccccc2F)C1 ZINC000423092475 296377493 /nfs/dbraw/zinc/37/74/93/296377493.db2.gz BZKHGYQLDZFMEU-TWTQLAGVSA-N 2 0 306.425 2.804 20 0 DFADRP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1[NH2+][C@H]1CC[C@H](c2cccc(F)c2)C1 ZINC000423092045 296377508 /nfs/dbraw/zinc/37/75/08/296377508.db2.gz AGJPSZLQVHIASG-PPIXQQLYSA-N 2 0 306.425 2.804 20 0 DFADRP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1[NH2+][C@@H]1CC[C@@H](c2cccc(F)c2)C1 ZINC000423092044 296377642 /nfs/dbraw/zinc/37/76/42/296377642.db2.gz AGJPSZLQVHIASG-JFRPJSFFSA-N 2 0 306.425 2.804 20 0 DFADRP [NH3+][C@@H]1C[C@H]([NH2+]C2CCN(c3nccs3)CC2)c2ccccc21 ZINC000423095990 296377778 /nfs/dbraw/zinc/37/77/78/296377778.db2.gz GUEITMGNUSRFJO-CVEARBPZSA-N 2 0 314.458 2.846 20 0 DFADRP C[N@@H+]1CCC[C@H]1CC[NH+]1CCC(Cc2ccccc2CO)CC1 ZINC000347692519 285133340 /nfs/dbraw/zinc/13/33/40/285133340.db2.gz XFAZKOVHTUHWBI-FQEVSTJZSA-N 2 0 316.489 2.918 20 0 DFADRP C[C@H]([NH3+])[C@@H]1COCC[C@H]1[NH2+]CCCc1c[nH]c2ccc(F)cc12 ZINC000423111358 296379644 /nfs/dbraw/zinc/37/96/44/296379644.db2.gz IXHZHEFQMJAKLG-ULFGMLNVSA-N 2 0 319.424 2.582 20 0 DFADRP C[C@H](CC(=O)N(C)c1ccccc1)[NH2+]C[C@@H]1CCCC[N@H+](C)C1 ZINC000624121626 399561013 /nfs/dbraw/zinc/56/10/13/399561013.db2.gz ZCCQZLYNLLSNEA-SJORKVTESA-N 2 0 317.477 2.750 20 0 DFADRP C[C@H](CCC[NH3+])[NH2+][C@@H]1CCOc2c(Br)cccc21 ZINC000423110419 296379710 /nfs/dbraw/zinc/37/97/10/296379710.db2.gz HZMVSQDEWKDMCS-ZWNOBZJWSA-N 2 0 313.239 2.990 20 0 DFADRP Cn1cncc1CC[N@H+](Cc1ccccc1)C1(CO)CCCC1 ZINC000625456039 399561487 /nfs/dbraw/zinc/56/14/87/399561487.db2.gz WCJPFJVKNWGCNZ-UHFFFAOYSA-N 2 0 313.445 2.770 20 0 DFADRP C[C@@H](C[C@@H]1COCCN1)[NH2+]CCCc1c[nH]c2ccc(F)cc12 ZINC000423118209 296380650 /nfs/dbraw/zinc/38/06/50/296380650.db2.gz ZICBYAORUBVJDH-XJKSGUPXSA-N 2 0 319.424 2.596 20 0 DFADRP CC(C)Oc1ccc([C@@H](C[NH2+][C@H](C)CCC[NH3+])N(C)C)cc1 ZINC000423118513 296380695 /nfs/dbraw/zinc/38/06/95/296380695.db2.gz AXLLLRPWSOLZHO-CRAIPNDOSA-N 2 0 307.482 2.794 20 0 DFADRP CSC1(C[NH2+][C@H](C)C[C@@H]2CCCCC[NH2+]2)CC[NH+](C)CC1 ZINC000423119892 296380760 /nfs/dbraw/zinc/38/07/60/296380760.db2.gz FAJCCXVHBPOORR-CVEARBPZSA-N 2 0 313.555 2.714 20 0 DFADRP CC(C)Cc1ccc([C@H](CN[C@H](C)C2C[NH2+]C2)[NH+](C)C)cc1 ZINC000423118509 296380802 /nfs/dbraw/zinc/38/08/02/296380802.db2.gz AXKAZMPLHBZCAL-BEFAXECRSA-N 2 0 303.494 2.685 20 0 DFADRP Fc1ccc([C@H]2C[C@H]([NH2+][C@@H]3CCOC[C@H]3[C@H]3CCC[NH2+]3)C2)cc1 ZINC000423128570 296381853 /nfs/dbraw/zinc/38/18/53/296381853.db2.gz LCFRSDXXZCVPDS-GPFWEFOESA-N 2 0 318.436 2.818 20 0 DFADRP C[C@H]1[C@@H]([NH2+]C2CCC(C[NH3+])CC2)CCN1Cc1ccccc1 ZINC000423132377 296382563 /nfs/dbraw/zinc/38/25/63/296382563.db2.gz UMJRMKIUIZMTAS-GSHBMFQSSA-N 2 0 301.478 2.757 20 0 DFADRP C[C@@H]1CC[NH2+]C[C@H]1NC[C@@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000423133774 296382715 /nfs/dbraw/zinc/38/27/15/296382715.db2.gz CWFYCZQFSRZXPC-YZGWKJHDSA-N 2 0 315.505 2.876 20 0 DFADRP CCOC(=O)C1([C@@H](C)[NH2+]CC(C)(C)C(C)(C)C)CC[NH2+]CC1 ZINC000423137387 296383129 /nfs/dbraw/zinc/38/31/29/296383129.db2.gz WJTBYNUZMHZKDS-CQSZACIVSA-N 2 0 312.498 2.970 20 0 DFADRP C[C@@H]([NH3+])C[C@@H](C)[NH2+]CCc1cnc(SC2CCCC2)nc1 ZINC000423137279 296383215 /nfs/dbraw/zinc/38/32/15/296383215.db2.gz QNIXLYXPJKHOOB-CHWSQXEVSA-N 2 0 308.495 2.769 20 0 DFADRP COCCOCc1ccc(C[NH2+][C@H]2CCCCC[C@H]2[NH3+])cc1 ZINC000423142019 296383794 /nfs/dbraw/zinc/38/37/94/296383794.db2.gz SYWUUGQNIITMIQ-MSOLQXFVSA-N 2 0 306.450 2.599 20 0 DFADRP CC[C@@H]([NH2+]C[C@@H]1CCN(c2ccccc2F)C1)[C@@H]1CCC[NH2+]1 ZINC000423141067 296383877 /nfs/dbraw/zinc/38/38/77/296383877.db2.gz NTISMDVIEUJSFX-UAGQMJEPSA-N 2 0 305.441 2.772 20 0 DFADRP CSc1ccc([C@@H](C[NH2+][C@H]2CCC[NH2+]CC2)N(C)C)cc1 ZINC000423143151 296384122 /nfs/dbraw/zinc/38/41/22/296384122.db2.gz CLZRXAPKQXKWGO-DOTOQJQBSA-N 2 0 307.507 2.743 20 0 DFADRP CCN1C[C@@H](C)[C@@H]([NH2+]Cc2cccc(C[NH+]3CCCC3)c2)C1 ZINC000347728290 285148357 /nfs/dbraw/zinc/14/83/57/285148357.db2.gz VFOYZVCZKOPSKL-APWZRJJASA-N 2 0 301.478 2.712 20 0 DFADRP C[C@H]([NH2+]Cc1ccn(C)c1)c1cccc(OCC[NH+](C)C)c1 ZINC000158495202 197278617 /nfs/dbraw/zinc/27/86/17/197278617.db2.gz NGCBTOHYPDMLMW-HNNXBMFYSA-N 2 0 301.434 2.816 20 0 DFADRP C[C@H]([NH3+])[C@H]1COCC[C@H]1[NH2+][C@H]1CCCc2c(F)cc(F)cc21 ZINC000423146676 296384823 /nfs/dbraw/zinc/38/48/23/296384823.db2.gz PYBPKVBHTHJHRV-KYTKNBDNSA-N 2 0 310.388 2.684 20 0 DFADRP C[C@H]1CC[NH2+]CC[C@@H]1[NH2+]CCOc1ccc(F)c(Cl)c1 ZINC000423152477 296385493 /nfs/dbraw/zinc/38/54/93/296385493.db2.gz FGFPGYCVHUYJFX-NHYWBVRUSA-N 2 0 300.805 2.836 20 0 DFADRP COc1ncc(C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)cc1Cl ZINC000423153167 296385711 /nfs/dbraw/zinc/38/57/11/296385711.db2.gz GGTDPFVHOYXCEG-NWANDNLSSA-N 2 0 309.841 2.754 20 0 DFADRP [NH3+]C1CCC([NH2+][C@@H](CCO)c2cccc(C(F)(F)F)c2)CC1 ZINC000423154768 296385850 /nfs/dbraw/zinc/38/58/50/296385850.db2.gz IHPFKQGMCGAIPF-NRXISQOPSA-N 2 0 316.367 2.988 20 0 DFADRP C[N@H+](CCCC[NH2+][C@@H]1CCN[C@@H](c2ccccc2)C1)C1CC1 ZINC000423161885 296387052 /nfs/dbraw/zinc/38/70/52/296387052.db2.gz JXEGSQCZSBURJI-IEBWSBKVSA-N 2 0 301.478 2.944 20 0 DFADRP C[C@H]([NH2+][C@H](CCO)c1cccc(C(F)(F)F)c1)[C@H]1CC[NH2+]C1 ZINC000423159380 296386561 /nfs/dbraw/zinc/38/65/61/296386561.db2.gz OYTCRNMITJGNHE-CORIIIEPSA-N 2 0 316.367 2.717 20 0 DFADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NCCCCC[NH+]1CCCCC1 ZINC000347753169 285159681 /nfs/dbraw/zinc/15/96/81/285159681.db2.gz OSFAATDYQSXXMM-QGZVFWFLSA-N 2 0 309.498 2.633 20 0 DFADRP CCC(=O)CCC[NH+]1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000347753711 285160173 /nfs/dbraw/zinc/16/01/73/285160173.db2.gz USPRBYCRSKFINJ-IYBDPMFKSA-N 2 0 310.482 2.567 20 0 DFADRP COC[C@H](CCC[NH3+])[NH2+][C@H](c1ccco1)c1ccc(OC)cc1 ZINC000423168613 296387869 /nfs/dbraw/zinc/38/78/69/296387869.db2.gz UULCHFQCWQRTBQ-YJBOKZPZSA-N 2 0 318.417 2.721 20 0 DFADRP CCc1ccc([C@H]([NH2+]CCCN2CC[NH2+]CC2)C(C)C)cc1 ZINC000423179170 296389018 /nfs/dbraw/zinc/38/90/18/296389018.db2.gz HHHNECJDPPHCAB-LJQANCHMSA-N 2 0 303.494 2.831 20 0 DFADRP COc1cccc2c1C[C@H]([NH2+][C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1)C2 ZINC000423173661 296388224 /nfs/dbraw/zinc/38/82/24/296388224.db2.gz ZPHBRWMIPAHEOY-CYGHRXIMSA-N 2 0 300.446 2.673 20 0 DFADRP Cc1ccccc1[C@@H](CC(C)C)[NH2+]CCCN1CC[NH2+]CC1 ZINC000423176362 296388403 /nfs/dbraw/zinc/38/84/03/296388403.db2.gz GYNOSWAXTLZEOD-LJQANCHMSA-N 2 0 303.494 2.967 20 0 DFADRP Clc1ccccc1C[C@H]([NH2+]CCCN1CC[NH2+]CC1)C1CC1 ZINC000423177058 296388437 /nfs/dbraw/zinc/38/84/37/296388437.db2.gz DPLHUFHYLDLACN-SFHVURJKSA-N 2 0 321.896 2.546 20 0 DFADRP C[C@H]([NH2+]CCCN1CC[NH2+]CC1)[C@@H](C)c1ccc(Cl)cc1 ZINC000423181916 296389295 /nfs/dbraw/zinc/38/92/95/296389295.db2.gz JXNMGMLBGCWDNX-CABCVRRESA-N 2 0 309.885 2.717 20 0 DFADRP c1ccc(C[N@@H+]2CC[C@H](N[C@@H]3CCC[NH2+]C3)[C@@H]3CCC[C@H]32)cc1 ZINC000423188310 296390163 /nfs/dbraw/zinc/39/01/63/296390163.db2.gz LODFVJHFLRMHNH-FUMNGEBKSA-N 3 0 313.489 2.771 20 0 DFADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1[NH2+]C[C@](C)(O)c1ccccc1Cl ZINC000157559252 197197613 /nfs/dbraw/zinc/19/76/13/197197613.db2.gz LRWJQFVKDUXVDY-OQUILHJVSA-N 2 0 310.869 2.866 20 0 DFADRP COC[C@@H](CCC[NH3+])[NH2+][C@@H](C)Cc1cn(C)c2ccc(F)cc12 ZINC000423189390 296390130 /nfs/dbraw/zinc/39/01/30/296390130.db2.gz QVURPHKXWBCUFH-XJKSGUPXSA-N 2 0 321.440 2.592 20 0 DFADRP Fc1ccccc1[C@@H]([NH2+]CCN1CC[NH2+]CC1)C1CCCC1 ZINC000423200474 296391813 /nfs/dbraw/zinc/39/18/13/296391813.db2.gz FTWLVSHAYHMMBD-SFHVURJKSA-N 2 0 305.441 2.552 20 0 DFADRP C[C@H]([NH3+])[C@H]1COCC[C@@H]1[NH2+]CC1(c2c(F)cccc2F)CCC1 ZINC000423195689 296391118 /nfs/dbraw/zinc/39/11/18/296391118.db2.gz YBYSBDLPSKWRKN-ZENOOKHLSA-N 2 0 324.415 2.728 20 0 DFADRP C[C@H](Cc1cn(C)c2ccc(F)cc12)[NH2+][C@@H](C)[C@@H]1CC[NH2+]C1 ZINC000423196311 296391188 /nfs/dbraw/zinc/39/11/88/296391188.db2.gz ZIINASUCNQLJKF-HZSPNIEDSA-N 2 0 303.425 2.836 20 0 DFADRP C[C@@H]([NH2+][C@@H](C)Cc1cn(C)c2ccc(F)cc12)[C@H]1CCC[NH2+]1 ZINC000423195925 296391217 /nfs/dbraw/zinc/39/12/17/296391217.db2.gz YMIYUCRRGVFUMC-OGHNNQOOSA-N 2 0 303.425 2.979 20 0 DFADRP C[C@H]([NH2+]CCN1CC[NH2+]CC1)c1ccc(-c2cccs2)cc1 ZINC000423204866 296392215 /nfs/dbraw/zinc/39/22/15/296392215.db2.gz OVIHGJWNVSZBQM-HNNXBMFYSA-N 2 0 315.486 2.971 20 0 DFADRP Cc1nn(C)c2sc([C@H](C)[NH2+][C@@H](C)[C@@H]3CCC[NH2+]C3)cc12 ZINC000423211436 296392669 /nfs/dbraw/zinc/39/26/69/296392669.db2.gz HJUFGJJMVFORAP-WCFLWFBJSA-N 2 0 306.479 2.982 20 0 DFADRP Cc1ccc(C)c([C@@H]([NH2+]CCN2CC[NH2+]CC2)c2ccccc2)c1 ZINC000423209779 296392856 /nfs/dbraw/zinc/39/28/56/296392856.db2.gz VPJPAQHESKJXCR-NRFANRHFSA-N 2 0 323.484 2.888 20 0 DFADRP Clc1ccc([C@H]2CCC[C@H]([NH2+]CCN3CC[NH2+]CC3)C2)cc1 ZINC000423209507 296392894 /nfs/dbraw/zinc/39/28/94/296392894.db2.gz UXPHGNLIRDZWDG-WMZOPIPTSA-N 2 0 321.896 2.861 20 0 DFADRP Clc1cccc([C@@H]2CCC[C@@H]([NH2+]CCN3CC[NH2+]CC3)C2)c1 ZINC000423201738 296391915 /nfs/dbraw/zinc/39/19/15/296391915.db2.gz JGAMZPOQSVJHQM-SJLPKXTDSA-N 2 0 321.896 2.861 20 0 DFADRP C[C@@H]([NH2+]C1CCC([NH3+])CC1)c1ccc(OCC[NH+](C)C)cc1 ZINC000423213661 296393173 /nfs/dbraw/zinc/39/31/73/296393173.db2.gz KITVSSCLMACMCL-ODIFPOPNSA-N 3 0 305.466 2.548 20 0 DFADRP C[C@H]([NH3+])CC[NH2+][C@@H](C)c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000423225737 296394255 /nfs/dbraw/zinc/39/42/55/296394255.db2.gz OAQNLNAQTGKUCO-KBPBESRZSA-N 2 0 324.490 2.791 20 0 DFADRP COc1ccc([C@H](C)[NH2+]CC[C@@H](C)[NH3+])cc1Br ZINC000423222730 296394342 /nfs/dbraw/zinc/39/43/42/296394342.db2.gz CHBRVBNSKBGEKO-ZJUUUORDSA-N 2 0 301.228 2.846 20 0 DFADRP C[C@H]1[C@@H]([NH2+]C2CCC([NH3+])CC2)CCCN1Cc1ccccc1 ZINC000423228808 296394563 /nfs/dbraw/zinc/39/45/63/296394563.db2.gz FGCLDEIXUZGLCK-RXQRSOPUSA-N 2 0 301.478 2.899 20 0 DFADRP CO[C@@H](CN1CCO[C@H](CCC[NH+](C)C)C1)c1ccc(F)cc1 ZINC000625563559 399588579 /nfs/dbraw/zinc/58/85/79/399588579.db2.gz SZCHENSCTFIJBK-MSOLQXFVSA-N 2 0 324.440 2.556 20 0 DFADRP CO[C@H](CN1CCO[C@H](CCC[NH+](C)C)C1)c1ccc(F)cc1 ZINC000625563560 399588588 /nfs/dbraw/zinc/58/85/88/399588588.db2.gz SZCHENSCTFIJBK-QZTJIDSGSA-N 2 0 324.440 2.556 20 0 DFADRP CC(C)c1ccc([C@H]([NH3+])CN[C@H]2C[N@@H+](C3CC3)C[C@@H]2C)cc1 ZINC000423238767 296395881 /nfs/dbraw/zinc/39/58/81/296395881.db2.gz JHKCIGJVCFAMEY-KYNGSXCRSA-N 2 0 301.478 2.882 20 0 DFADRP COc1ccc(C[N@H+](C)CC2CC[NH+](C)CC2)c(C)c1OC ZINC000347811152 285185468 /nfs/dbraw/zinc/18/54/68/285185468.db2.gz KHNQXFTZFKFLDK-UHFFFAOYSA-N 2 0 306.450 2.786 20 0 DFADRP C[N@H+](Cc1ccccc1)C1CCC([NH2+]C[C@@H]2CCC[NH2+]2)CC1 ZINC000423234604 296395217 /nfs/dbraw/zinc/39/52/17/296395217.db2.gz MCOHKDRMYCFWTF-XBMUEBEBSA-N 2 0 301.478 2.771 20 0 DFADRP CC[NH+]1CCC(N(C(=O)[C@H](C)[NH+]2CCCCCC2)C2CC2)CC1 ZINC000369317508 285186222 /nfs/dbraw/zinc/18/62/22/285186222.db2.gz MYZMXYQLEGUWQC-INIZCTEOSA-N 2 0 321.509 2.726 20 0 DFADRP C[C@@H]1C[C@@H](NC[C@H]([NH3+])c2ccccc2)C[N@@H+]1Cc1ccccc1 ZINC000423235122 296395385 /nfs/dbraw/zinc/39/53/85/296395385.db2.gz GJLJCEYOUOJUAQ-AHRSYUTCSA-N 2 0 309.457 2.939 20 0 DFADRP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1NC[C@@H]([NH3+])c1ccccc1 ZINC000423236012 296395498 /nfs/dbraw/zinc/39/54/98/296395498.db2.gz HBXXSYCYJBIQFX-AHRSYUTCSA-N 2 0 324.472 2.582 20 0 DFADRP C[C@@H]1[C@@H]([NH2+]CC[C@@H]2CC[NH2+]C2)CCCN1Cc1ccccc1 ZINC000423247707 296396803 /nfs/dbraw/zinc/39/68/03/296396803.db2.gz LPGUOHASASGWID-AOIWGVFYSA-N 2 0 301.478 2.629 20 0 DFADRP Cn1ccnc1[C@H]([NH2+]CC[C@@H]1CC[NH2+]C1)c1ccc(Cl)cc1 ZINC000423247623 296396911 /nfs/dbraw/zinc/39/69/11/296396911.db2.gz LLXPDPXDWSDBPU-XJKSGUPXSA-N 2 0 318.852 2.752 20 0 DFADRP COC[C@H]([NH2+]CC[C@@H]1CC[NH2+]C1)c1cccc(Cl)c1F ZINC000423250905 296396945 /nfs/dbraw/zinc/39/69/45/296396945.db2.gz REYFAZOANBILKF-FZMZJTMJSA-N 2 0 300.805 2.756 20 0 DFADRP CCO[C@@H]1C[C@H]([NH2+]CC[C@@H]2CCC[NH2+]C2)[C@@H]1Oc1ccccc1 ZINC000423264380 296398149 /nfs/dbraw/zinc/39/81/49/296398149.db2.gz YLCKBKMDWLCRSG-KANFNMMFSA-N 2 0 318.461 2.591 20 0 DFADRP CC(C)C[C@@H](C[NH3+])N[C@H](C)c1ccc(OCC[NH+](C)C)cc1 ZINC000423263468 296398264 /nfs/dbraw/zinc/39/82/64/296398264.db2.gz OKSFIMDZFIVOLT-WBVHZDCISA-N 3 0 307.482 2.651 20 0 DFADRP C[C@@H]1C[C@H]([NH2+]CC[C@H]2CCC[NH2+]C2)CN1Cc1ccccc1 ZINC000423255385 296397374 /nfs/dbraw/zinc/39/73/74/296397374.db2.gz BUZGCDWJEXBXAL-LMMKCTJWSA-N 2 0 301.478 2.629 20 0 DFADRP C[C@@H]([NH2+]CC[C@@H]1CCC[NH2+]C1)c1cccc(OCC[NH+](C)C)c1 ZINC000423256239 296397387 /nfs/dbraw/zinc/39/73/87/296397387.db2.gz DQIWMFOQWJHWGC-SJORKVTESA-N 3 0 319.493 2.667 20 0 DFADRP Cn1cc([C@H]([NH2+]CC[C@@H]2CCC[NH2+]C2)c2cccc(F)c2)cn1 ZINC000423256756 296397411 /nfs/dbraw/zinc/39/74/11/296397411.db2.gz FWBWMCSQBQCAML-KBXCAEBGSA-N 2 0 316.424 2.628 20 0 DFADRP C[C@@H]1C[C@@H]([NH2+]CC[C@H]2CCC[NH2+]C2)CN1Cc1ccccc1 ZINC000423255386 296397433 /nfs/dbraw/zinc/39/74/33/296397433.db2.gz BUZGCDWJEXBXAL-ZHALLVOQSA-N 2 0 301.478 2.629 20 0 DFADRP C[C@@H]1CN(Cc2ccccc2)CC[C@H]1[NH2+]CC[C@H]1CCC[NH2+]C1 ZINC000423261367 296397908 /nfs/dbraw/zinc/39/79/08/296397908.db2.gz RZBPXHOWXHEVAQ-QWFCFKBJSA-N 3 0 315.505 2.876 20 0 DFADRP C[C@H]([NH2+]CC[C@@H]1CCC[NH2+]C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000423261226 296397937 /nfs/dbraw/zinc/39/79/37/296397937.db2.gz RUXCKKGAEVMOAW-CMKODMSKSA-N 2 0 315.505 2.876 20 0 DFADRP C[C@H](Cc1ccc(C(F)(F)F)cc1)[NH2+]CC1([NH3+])CCOCC1 ZINC000629387993 399591046 /nfs/dbraw/zinc/59/10/46/399591046.db2.gz LTKPDTFBLGTNKO-GFCCVEGCSA-N 2 0 316.367 2.734 20 0 DFADRP C[C@H](CCc1ccc(Cl)s1)[NH2+]CC1([NH3+])CCOCC1 ZINC000629388089 399591172 /nfs/dbraw/zinc/59/11/72/399591172.db2.gz MTVMRJUEZCQHIZ-LLVKDONJSA-N 2 0 302.871 2.820 20 0 DFADRP CC(C)C[C@H](CN)[NH2+][C@@H](C)c1cccc(N2CCOCC2)c1 ZINC000423262638 296398061 /nfs/dbraw/zinc/39/80/61/296398061.db2.gz NAIZCOCYEGUMNA-DOTOQJQBSA-N 2 0 305.466 2.547 20 0 DFADRP COc1ccc(C[C@H](C)[NH2+][C@H]2CCC[C@H]2C[NH3+])c(C)c1OC ZINC000423271333 296399155 /nfs/dbraw/zinc/39/91/55/296399155.db2.gz IYJVGDOCFAJAMA-RCBQFDQVSA-N 2 0 306.450 2.660 20 0 DFADRP COc1cc(C)c(C[C@H](C)[NH2+][C@@H]2CCC[C@@H]2C[NH3+])cc1OC ZINC000423270278 296399276 /nfs/dbraw/zinc/39/92/76/296399276.db2.gz IAGDNKYWVCPEIL-SQWLQELKSA-N 2 0 306.450 2.660 20 0 DFADRP C[C@H](Cc1ccccc1)[NH+]1CCC(N[C@@H]2CCC[C@@H]2C[NH3+])CC1 ZINC000423266891 296398564 /nfs/dbraw/zinc/39/85/64/296398564.db2.gz DWOTVROQHUMRDZ-YVWKXTFCSA-N 2 0 315.505 2.799 20 0 DFADRP C[C@H](Cc1c(Cl)cccc1Cl)[NH2+]CCOCCC[NH3+] ZINC000629399008 399593883 /nfs/dbraw/zinc/59/38/83/399593883.db2.gz AEHPVFSKVZLQHE-LLVKDONJSA-N 2 0 305.249 2.879 20 0 DFADRP c1ccc(C[C@H]([NH2+]CC[C@H]2CCC[NH2+]C2)c2cccnc2)nc1 ZINC000423265568 296398614 /nfs/dbraw/zinc/39/86/14/296398614.db2.gz ZYGVECZSVMBBES-APWZRJJASA-N 2 0 310.445 2.740 20 0 DFADRP CC(C)C[C@H](C[NH3+])N[C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000423269679 296398920 /nfs/dbraw/zinc/39/89/20/296398920.db2.gz WDZWZPLBOAOYBV-MTQWCTHYSA-N 2 0 315.505 2.860 20 0 DFADRP CCC([NH3+])(CC)CN[C@@H](C)c1cccc(OCC[NH+](C)C)c1 ZINC000423282876 296400743 /nfs/dbraw/zinc/40/07/43/296400743.db2.gz DFIVHCQWHNSWGJ-HNNXBMFYSA-N 2 0 307.482 2.795 20 0 DFADRP CN1CC[C@H]([NH2+]CC[C@H]2CCC[NH2+]C2)C[C@@H]1c1ccccc1 ZINC000423277899 296399754 /nfs/dbraw/zinc/39/97/54/296399754.db2.gz QKGFBAQTHZPWJO-NZSAHSFTSA-N 2 0 301.478 2.801 20 0 DFADRP CCN1CCC[C@@H]1C[NH2+][C@@H](C)c1ccc(OCC[NH+](C)C)cc1 ZINC000156547773 197122207 /nfs/dbraw/zinc/12/22/07/197122207.db2.gz PPWOWDATLBCQHR-FUHWJXTLSA-N 2 0 319.493 2.762 20 0 DFADRP C[C@@H]([NH3+])c1ccc(C[NH2+][C@@H](C)c2ccc(-n3cnnn3)cc2)cc1 ZINC000423291777 296401720 /nfs/dbraw/zinc/40/17/20/296401720.db2.gz JUKRHAAADALSTE-KGLIPLIRSA-N 2 0 322.416 2.533 20 0 DFADRP COc1cc(C)c(C[C@@H](C)[NH2+]CC[C@@H]2CCC[NH2+]C2)cc1OC ZINC000423285719 296401082 /nfs/dbraw/zinc/40/10/82/296401082.db2.gz ZWJDGDVYVZGMMU-CVEARBPZSA-N 2 0 320.477 2.923 20 0 DFADRP C[C@@H]([NH3+])c1ccc(C(=O)NC[C@H](c2cccs2)[NH+](C)C)cc1 ZINC000423314313 296403391 /nfs/dbraw/zinc/40/33/91/296403391.db2.gz YBFCRJQFQBLMEF-IUODEOHRSA-N 2 0 317.458 2.801 20 0 DFADRP CC1CC[NH+](CCCCNC(=O)[C@H]([NH3+])CC2CCCCC2)CC1 ZINC000423326451 296404353 /nfs/dbraw/zinc/40/43/53/296404353.db2.gz KOAQNDXQHZMQOZ-GOSISDBHSA-N 2 0 323.525 2.912 20 0 DFADRP Fc1cc(Br)cc2c1CC[C@H]2[NH2+]C[C@@H]1CC[NH2+]C1 ZINC000423326547 296404831 /nfs/dbraw/zinc/40/48/31/296404831.db2.gz CJYUHHSDURRJQQ-YMTOWFKASA-N 2 0 313.214 2.775 20 0 DFADRP Brc1ccccc1C[C@@H]([NH2+]C[C@H]1CC[NH2+]C1)C1CC1 ZINC000423330771 296405296 /nfs/dbraw/zinc/40/52/96/296405296.db2.gz GGUPFVQOKODLRY-BLLLJJGKSA-N 2 0 323.278 2.969 20 0 DFADRP C[C@@H]([NH2+]C[C@H]1CC[NH2+]C1)c1ccc(OCC(F)(F)F)cc1 ZINC000423331553 296405342 /nfs/dbraw/zinc/40/53/42/296405342.db2.gz GSKUNOWIJOVZBO-NEPJUHHUSA-N 2 0 302.340 2.888 20 0 DFADRP C[C@@H]1CC[NH2+][C@H](C(=O)Nc2cccc(C[NH+]3CCCCC3)c2)C1 ZINC000423340927 296406335 /nfs/dbraw/zinc/40/63/35/296406335.db2.gz WAORXOQJAAIQDP-QAPCUYQASA-N 2 0 315.461 2.999 20 0 DFADRP CC[NH+](CC)[C@H](CNC(=O)[C@H]1C[C@@H](C)CC[NH2+]1)c1ccsc1 ZINC000423332789 296405622 /nfs/dbraw/zinc/40/56/22/296405622.db2.gz RDGZLDIUMTYBOK-NUEKZKHPSA-N 2 0 323.506 2.635 20 0 DFADRP COCCc1nc(C)c([C@@H](C)[NH2+]CC2(C)CC[NH2+]CC2)s1 ZINC000423343861 296406678 /nfs/dbraw/zinc/40/66/78/296406678.db2.gz XKZGQYMXHGUMSF-GFCCVEGCSA-N 2 0 311.495 2.681 20 0 DFADRP COc1cc2c(cc1OC)[C@@H]([NH2+]C[C@@]1(C)CCC[NH2+]C1)CC2 ZINC000423346085 296407043 /nfs/dbraw/zinc/40/70/43/296407043.db2.gz PMPSAFKJXXECSG-YJBOKZPZSA-N 2 0 304.434 2.670 20 0 DFADRP CC(C)Oc1ccc([C@@H](C)[NH2+][C@H](C)CN2CC[NH+](C)CC2)cc1 ZINC000155060858 197017569 /nfs/dbraw/zinc/01/75/69/197017569.db2.gz PPKVBFRZVOEKCH-IAGOWNOFSA-N 2 0 319.493 2.760 20 0 DFADRP Cc1ccc(C[C@@H]([NH2+][C@@H](C)CN2CC[NH+](C)CC2)C2CC2)cc1 ZINC000155150951 197026815 /nfs/dbraw/zinc/02/68/15/197026815.db2.gz ZHJREDVQNPCNML-FXAWDEMLSA-N 2 0 315.505 2.542 20 0 DFADRP C[C@H](CCC(C)(C)C)[NH2+]C[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000423396591 296412151 /nfs/dbraw/zinc/41/21/51/296412151.db2.gz RUIOTHBTZAAYFP-OLZOCXBDSA-N 2 0 309.420 2.627 20 0 DFADRP CC[C@H]([NH2+]C[C@H](N1CC[NH2+]CC1)C(F)(F)F)c1cccs1 ZINC000423403163 296412875 /nfs/dbraw/zinc/41/28/75/296412875.db2.gz YZPSOUFQIKZWTC-AAEUAGOBSA-N 2 0 321.412 2.625 20 0 DFADRP COCC1(C[NH2+][C@H]2CCCOc3ccc(F)cc32)CC[NH2+]CC1 ZINC000423403431 296413205 /nfs/dbraw/zinc/41/32/05/296413205.db2.gz HOJDPXYUGVSVGK-INIZCTEOSA-N 2 0 322.424 2.645 20 0 DFADRP Cc1ccc([C@H](Cc2ccccc2)[NH2+]C[C@@H]2C[NH2+]C[C@@H]2O)cc1C ZINC000423411555 296414187 /nfs/dbraw/zinc/41/41/87/296414187.db2.gz UVNILNVTYPLQAL-ACRUOGEOSA-N 2 0 324.468 2.757 20 0 DFADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1cscc1C ZINC000267290400 285250222 /nfs/dbraw/zinc/25/02/22/285250222.db2.gz ZOWWEYNXGKHUHR-OAHLLOKOSA-N 2 0 323.506 2.545 20 0 DFADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1cc(C)cs1 ZINC000294371233 285249628 /nfs/dbraw/zinc/24/96/28/285249628.db2.gz BHZABAQVGVIMLO-OAHLLOKOSA-N 2 0 323.506 2.545 20 0 DFADRP C[C@H]([NH2+]C[C@@H]1CCC[C@@H]([NH3+])C1)c1ccc(C(=O)N(C)C)cc1 ZINC000423459979 296418325 /nfs/dbraw/zinc/41/83/25/296418325.db2.gz APKCUADIFDPBOT-JJRVBVJISA-N 2 0 303.450 2.557 20 0 DFADRP CC[C@H](NC[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1)[C@@H]1CCC[NH2+]1 ZINC000423460424 296418373 /nfs/dbraw/zinc/41/83/73/296418373.db2.gz BDHDNKHKCCRRJN-NQYYFHDYSA-N 2 0 319.468 2.639 20 0 DFADRP C[C@H]([NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1)c1ccnn1-c1ccccc1 ZINC000423450903 296417540 /nfs/dbraw/zinc/41/75/40/296417540.db2.gz XSYPCTSXZJXAHH-JCGIZDLHSA-N 2 0 310.445 2.911 20 0 DFADRP COc1ccc([C@H](NCCC[C@H]2CCC[NH2+]2)[C@H]2CCC[NH2+]2)cc1 ZINC000423473044 296419504 /nfs/dbraw/zinc/41/95/04/296419504.db2.gz GKISXCLPQDBXBN-QRQLOZEOSA-N 2 0 317.477 2.610 20 0 DFADRP C[C@H]([NH2+]CCC(=O)N1CCCCC1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000347940094 285258663 /nfs/dbraw/zinc/25/86/63/285258663.db2.gz XENLFRSMQURWND-DLBZAZTESA-N 2 0 321.509 2.632 20 0 DFADRP COC(=O)C[C@@H]([NH2+]CC[C@@H]1CCCC[N@@H+]1C)C1CCCCC1 ZINC000347953297 285266614 /nfs/dbraw/zinc/26/66/14/285266614.db2.gz GALXKZIVLGJXDK-DLBZAZTESA-N 2 0 310.482 2.962 20 0 DFADRP CC[N@@H+]1CC[C@@H]([NH+](C)CCCNC(=O)OC(C)(C)C)[C@H](C)C1 ZINC000496072623 300015557 /nfs/dbraw/zinc/01/55/57/300015557.db2.gz SBBGKGNCBXVACF-HUUCEWRRSA-N 2 0 313.486 2.563 20 0 DFADRP C[C@H]([NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1)c1ccc(-n2ccnc2)cc1 ZINC000423536439 296427562 /nfs/dbraw/zinc/42/75/62/296427562.db2.gz ADODFYZIWZWWDQ-DZOHQFGASA-N 2 0 310.445 2.911 20 0 DFADRP OC[C@@H]1CCC[N@@H+]1CCCC[NH2+][C@H]1CCCNc2ccccc21 ZINC000248994767 285273854 /nfs/dbraw/zinc/27/38/54/285273854.db2.gz OOTONAPVHLGERK-LPHOPBHVSA-N 2 0 317.477 2.760 20 0 DFADRP COc1ccc(C[C@H](C)[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)cc1OC ZINC000423538337 296427795 /nfs/dbraw/zinc/42/77/95/296427795.db2.gz GDPBSRCMJPHHAK-QSPRXWTASA-N 2 0 318.461 2.613 20 0 DFADRP C[C@H](CCc1ccc2c(c1)OCO2)[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000423538519 296427820 /nfs/dbraw/zinc/42/78/20/296427820.db2.gz GNZYFGDUZBPPIC-MXASKKJJSA-N 2 0 316.445 2.714 20 0 DFADRP C[C@@H]([NH2+]CCC1=CC[NH2+]CC1)c1ncc(Br)s1 ZINC000423539732 296427891 /nfs/dbraw/zinc/42/78/91/296427891.db2.gz PESJUTGKNVQLMT-SECBINFHSA-N 2 0 316.268 2.866 20 0 DFADRP CC[C@H]([NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1)c1ccc(C(=O)OC)cc1 ZINC000423541058 296428123 /nfs/dbraw/zinc/42/81/23/296428123.db2.gz FAVNYXYXAJBEND-MLHJIOFPSA-N 2 0 316.445 2.902 20 0 DFADRP Cn1ccnc1[C@@H]([NH2+]CCC1=CC[NH2+]CC1)c1cccc(F)c1 ZINC000423541546 296428188 /nfs/dbraw/zinc/42/81/88/296428188.db2.gz SDCULLOFXKFZQW-KRWDZBQOSA-N 2 0 314.408 2.548 20 0 DFADRP Cn1ccnc1[C@H]([NH2+]CCC1=CC[NH2+]CC1)c1cccc(F)c1 ZINC000423541549 296428246 /nfs/dbraw/zinc/42/82/46/296428246.db2.gz SDCULLOFXKFZQW-QGZVFWFLSA-N 2 0 314.408 2.548 20 0 DFADRP COc1ncc([C@H](C)[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)cc1Cl ZINC000423546616 296428390 /nfs/dbraw/zinc/42/83/90/296428390.db2.gz KNSUJCNOXYLJAU-UZGDPCLZSA-N 2 0 309.841 2.782 20 0 DFADRP COC[C@H]([NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1)c1ccc(F)c(F)c1 ZINC000423547117 296428806 /nfs/dbraw/zinc/42/88/06/296428806.db2.gz PQYKIAOWDIRPDG-CFAJVAMVSA-N 2 0 310.388 2.630 20 0 DFADRP COc1cc(C)c(C[C@H](C)[NH2+]CCC2=CC[NH2+]CC2)cc1OC ZINC000423546823 296428811 /nfs/dbraw/zinc/42/88/11/296428811.db2.gz ZMPOLJCPTVHXNX-HNNXBMFYSA-N 2 0 318.461 2.843 20 0 DFADRP CC(C)C[C@@H]([NH2+]C[C@@H](C)CN1CC[NH+](C)CC1)c1ccccn1 ZINC000120812720 195242977 /nfs/dbraw/zinc/24/29/77/195242977.db2.gz DIGUTVQWBQQLOA-IEBWSBKVSA-N 2 0 318.509 2.642 20 0 DFADRP Cc1cc([C@H](C)[NH2+]C[C@@H](C)CN2CC[NH+](C)CC2)c(C)s1 ZINC000120823111 195244216 /nfs/dbraw/zinc/24/42/16/195244216.db2.gz UPECJOYMJGWHRO-HIFRSBDPSA-N 2 0 309.523 2.899 20 0 DFADRP CC[C@@H]([NH2+]C[C@H](C)CN1CC[NH+](C)CC1)c1ccc(C)cc1 ZINC000120824193 195244986 /nfs/dbraw/zinc/24/49/86/195244986.db2.gz HCHIDMSMNNLZLT-PKOBYXMFSA-N 2 0 303.494 2.919 20 0 DFADRP NC(=O)[C@@H]1CCC[N@H+](CCC[NH2+]CCCC2CCCCC2)C1 ZINC000348006863 285295011 /nfs/dbraw/zinc/29/50/11/285295011.db2.gz HSHXBEXQORAOHA-QGZVFWFLSA-N 2 0 309.498 2.524 20 0 DFADRP COc1ccc(C)cc1[C@@H](C)[NH2+]C[C@@H](C)CN1CC[NH+](C)CC1 ZINC000120907921 195262169 /nfs/dbraw/zinc/26/21/69/195262169.db2.gz OAUVMUNFHYEURD-IAGOWNOFSA-N 2 0 319.493 2.538 20 0 DFADRP CCn1cc(C[N@H+](CC)Cc2ccc(C[NH+](C)C)cc2)cn1 ZINC000289507104 221026992 /nfs/dbraw/zinc/02/69/92/221026992.db2.gz UHIBGNVFXGGGJS-UHFFFAOYSA-N 2 0 300.450 2.987 20 0 DFADRP C(c1nc(C2CCC2)no1)C1CC[NH+](CC2CC[NH2+]CC2)CC1 ZINC000629500290 399625404 /nfs/dbraw/zinc/62/54/04/399625404.db2.gz ACQBQXZLXMUWNB-UHFFFAOYSA-N 2 0 318.465 2.591 20 0 DFADRP CC(C)[N@@H+](C)C[C@@H](C)NC(=O)Nc1ccccc1CC[NH+](C)C ZINC000289574938 221077564 /nfs/dbraw/zinc/07/75/64/221077564.db2.gz DLONDVDOIVISEP-OAHLLOKOSA-N 2 0 320.481 2.641 20 0 DFADRP CCn1cc([C@@H](C)[NH2+]Cc2ccc(F)c(C[NH+](C)C)c2)cn1 ZINC000120929706 195266068 /nfs/dbraw/zinc/26/60/68/195266068.db2.gz UPKNOSSTJZUMTJ-CYBMUJFWSA-N 2 0 304.413 2.955 20 0 DFADRP C[C@@H]([NH3+])C[C@H](C)[NH2+][C@@H]1Cc2ccccc2O[C@H]1C(F)(F)F ZINC000629513114 399631013 /nfs/dbraw/zinc/63/10/13/399631013.db2.gz IEWJVAHUOLPQCG-IQOUGMIPSA-N 2 0 302.340 2.636 20 0 DFADRP Cc1nc(C(C)C)ccc1C[NH+]1CCC(OCCC[NH3+])CC1 ZINC000629513845 399630834 /nfs/dbraw/zinc/63/08/34/399630834.db2.gz MQSVHYIOTYFTME-UHFFFAOYSA-N 2 0 305.466 2.843 20 0 DFADRP FC1(F)Oc2cccc(CC[NH2+][C@@H]3CC[C@@H]4C[NH2+]C[C@@H]4C3)c2O1 ZINC000629516226 399633086 /nfs/dbraw/zinc/63/30/86/399633086.db2.gz ZBBJFYXSUGEHQG-HZSPNIEDSA-N 2 0 324.371 2.528 20 0 DFADRP C[C@H]([NH2+]CC1([NH3+])CCOCC1)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000629522025 399634903 /nfs/dbraw/zinc/63/49/03/399634903.db2.gz VKIMRVCNWRGSJI-SDDRHHMPSA-N 2 0 314.882 2.991 20 0 DFADRP C[C@@H]([NH2+]CC1([NH3+])CCOCC1)[C@@H](C)c1nc2ccccc2s1 ZINC000629522402 399634918 /nfs/dbraw/zinc/63/49/18/399634918.db2.gz ZGBUOZZRNQTFKY-CHWSQXEVSA-N 2 0 319.474 2.886 20 0 DFADRP CC[C@@H]([NH2+]CCOCC[NH2+]C)c1cccc(Br)c1 ZINC000629528738 399636411 /nfs/dbraw/zinc/63/64/11/399636411.db2.gz ICENSQKZRRRJPN-CQSZACIVSA-N 2 0 315.255 2.726 20 0 DFADRP CCOc1ccc(Cl)cc1[C@H](C)[NH2+]CCOCC[NH2+]C ZINC000629529114 399636431 /nfs/dbraw/zinc/63/64/31/399636431.db2.gz RWMNJQAVQZDAJK-LBPRGKRZSA-N 2 0 300.830 2.625 20 0 DFADRP COCCOCc1ccc(C[NH2+]CC(C)(C)C[NH+](C)C)cc1 ZINC000289918146 221315498 /nfs/dbraw/zinc/31/54/98/221315498.db2.gz ZHTHSKNDDKUVAU-UHFFFAOYSA-N 2 0 308.466 2.527 20 0 DFADRP C[NH2+]CCOCC[NH2+][C@@H](C)[C@H](C)c1nc2ccccc2s1 ZINC000629528660 399636942 /nfs/dbraw/zinc/63/69/42/399636942.db2.gz GFFYFBUBAZVUHY-STQMWFEESA-N 2 0 307.463 2.614 20 0 DFADRP C[NH2+]CCOCC[NH2+][C@@H]1CCCC[C@@H]1c1ccc(OC)c(F)c1 ZINC000629529827 399637349 /nfs/dbraw/zinc/63/73/49/399637349.db2.gz NRFIIMXITPLZOM-NVXWUHKLSA-N 2 0 324.440 2.686 20 0 DFADRP C[NH2+]CCOCC[NH2+][C@@H]1CCC[C@@H]1Cc1ccc(Cl)cc1 ZINC000629530944 399637855 /nfs/dbraw/zinc/63/78/55/399637855.db2.gz VVPDOIAGSVPJKL-NVXWUHKLSA-N 2 0 310.869 2.877 20 0 DFADRP C[NH2+]CCOCC[NH2+][C@H](C)c1csc(-c2ccccc2F)n1 ZINC000629530240 399638051 /nfs/dbraw/zinc/63/80/51/399638051.db2.gz AJJVKCJVGNTAOX-GFCCVEGCSA-N 2 0 323.437 2.836 20 0 DFADRP C[NH2+]CCOCC[NH2+]C(c1ccc(F)cc1)c1ccc(F)cc1 ZINC000629529637 399638070 /nfs/dbraw/zinc/63/80/70/399638070.db2.gz JDLRAUUYDMHAMT-UHFFFAOYSA-N 2 0 320.383 2.880 20 0 DFADRP CC(C)c1cccc2c1OCCC[C@@H]2[NH2+]CCOCCC[NH3+] ZINC000629534977 399639202 /nfs/dbraw/zinc/63/92/02/399639202.db2.gz CDZPKQRYIJCSCV-KRWDZBQOSA-N 2 0 306.450 2.979 20 0 DFADRP [NH3+]CCCOCC[NH2+][C@@H](c1ccccc1)c1ccc(F)cc1 ZINC000629538704 399640347 /nfs/dbraw/zinc/64/03/47/399640347.db2.gz NIUVBXDHZJHHJO-SFHVURJKSA-N 2 0 302.393 2.870 20 0 DFADRP C[C@H]([NH2+]CCOCCC[NH3+])c1csc(-c2ccccc2)n1 ZINC000629536542 399640546 /nfs/dbraw/zinc/64/05/46/399640546.db2.gz HVHQWHANKRPRET-ZDUSSCGKSA-N 2 0 305.447 2.826 20 0 DFADRP CC[C@H]1[NH2+]CC[C@H]1C(=O)Nc1cccc(C[NH+](CC)CC)c1 ZINC000290033326 221391275 /nfs/dbraw/zinc/39/12/75/221391275.db2.gz RYWUOLXITCUBGK-IAGOWNOFSA-N 2 0 303.450 2.855 20 0 DFADRP C[C@@H]1CC[C@H](N[C@@H]2CCC[N@H+](Cc3ccccc3)[C@@H]2C)C[NH2+]1 ZINC000629538425 399640646 /nfs/dbraw/zinc/64/06/46/399640646.db2.gz JOLSHYUCANASRN-ZAWLATJESA-N 2 0 301.478 2.770 20 0 DFADRP C[C@@H](Cc1ccccc1)[NH+]1CCC(N[C@H]2CC[C@@H](C)[NH2+]C2)CC1 ZINC000629541982 399641299 /nfs/dbraw/zinc/64/12/99/399641299.db2.gz VYRYERALYGXELE-UWVAXJGDSA-N 2 0 315.505 2.812 20 0 DFADRP CC(C)([NH2+]C[C@H]1CCC2(C[NH2+]C2)O1)c1nc2ccccc2s1 ZINC000629543741 399641374 /nfs/dbraw/zinc/64/13/74/399641374.db2.gz ATVXJFWGMKUDAA-GFCCVEGCSA-N 2 0 317.458 2.642 20 0 DFADRP C[C@H](c1ccc(OC(F)(F)F)cc1)[N@H+](C)CCOCC[NH3+] ZINC000629577934 399653360 /nfs/dbraw/zinc/65/33/60/399653360.db2.gz FWQAUWJWWDFMCD-LLVKDONJSA-N 2 0 306.328 2.553 20 0 DFADRP Cc1ccc(C(C)(C)C[NH2+]C[C@H](O)C[NH+]2CCCC2)c(C)c1 ZINC000629579508 399653434 /nfs/dbraw/zinc/65/34/34/399653434.db2.gz FFDALBGDYGALAF-KRWDZBQOSA-N 2 0 304.478 2.627 20 0 DFADRP O[C@@H](C[NH2+]C1CCC(c2ccc(F)cc2)CC1)C[NH+]1CCCC1 ZINC000629575563 399653495 /nfs/dbraw/zinc/65/34/95/399653495.db2.gz SYAIOAMVOJMPAQ-KVZIAJEVSA-N 2 0 320.452 2.898 20 0 DFADRP O[C@@H](C[NH2+][C@@H]1C[C@H]1c1ccc2ccccc2c1)C[NH+]1CCCC1 ZINC000629577491 399653541 /nfs/dbraw/zinc/65/35/41/399653541.db2.gz AIYIMSMSDBDBKK-SLFFLAALSA-N 2 0 310.441 2.742 20 0 DFADRP C[N@H+](CCOCC[NH3+])Cc1cccc(OCc2ccccc2)c1 ZINC000629577534 399653718 /nfs/dbraw/zinc/65/37/18/399653718.db2.gz CDVNIIGRFZJGFQ-UHFFFAOYSA-N 2 0 314.429 2.673 20 0 DFADRP CC(C)[C@@H](C[NH2+]C[C@H](O)C[NH+]1CCCC1)Cc1ccccc1 ZINC000629576631 399653735 /nfs/dbraw/zinc/65/37/35/399653735.db2.gz NVHPMRAAIIBUNI-MOPGFXCFSA-N 2 0 304.478 2.548 20 0 DFADRP C[N@H+](CCCc1ccc(C(F)(F)F)cc1)CCOCC[NH3+] ZINC000629576824 399654269 /nfs/dbraw/zinc/65/42/69/399654269.db2.gz DEQOXVUAWXMUKS-UHFFFAOYSA-N 2 0 304.356 2.545 20 0 DFADRP CO[C@H](C[NH+]1CCC(CO[C@@H]2CC[NH2+]C2)CC1)C1CCCCC1 ZINC000629591362 399658017 /nfs/dbraw/zinc/65/80/17/399658017.db2.gz GBKLFBDXMCOLCQ-RTBURBONSA-N 2 0 324.509 2.672 20 0 DFADRP C[C@H]([NH2+][C@H]1CCN(c2ccc(Cl)cc2F)C1)[C@@H]1CC[NH2+]C1 ZINC000629544557 399642717 /nfs/dbraw/zinc/64/27/17/399642717.db2.gz JHBFZIHPDMLJPT-SCRDCRAPSA-N 2 0 311.832 2.645 20 0 DFADRP C[C@H]([NH2+][C@H]1CCN(c2ccc(Cl)cc2F)C1)[C@H]1CC[NH2+]C1 ZINC000629544554 399642915 /nfs/dbraw/zinc/64/29/15/399642915.db2.gz JHBFZIHPDMLJPT-OBJOEFQTSA-N 2 0 311.832 2.645 20 0 DFADRP OCc1ccc(F)c(C[N@@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)c1 ZINC000629544621 399642979 /nfs/dbraw/zinc/64/29/79/399642979.db2.gz JRGUAWRWQXMUHO-INIZCTEOSA-N 2 0 306.425 2.530 20 0 DFADRP Fc1cc(Cl)ccc1N1CC[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000629545410 399643064 /nfs/dbraw/zinc/64/30/64/399643064.db2.gz MCHZQCIRYDDORC-PEUVFPKISA-N 2 0 323.843 2.930 20 0 DFADRP C[C@H]([NH3+])[C@@H]1COCC[C@H]1[NH2+]Cc1ccnc(-c2ccccc2)c1 ZINC000629550971 399644851 /nfs/dbraw/zinc/64/48/51/399644851.db2.gz QJEFYGAXZINQHE-JCGIZDLHSA-N 2 0 311.429 2.591 20 0 DFADRP C[C@H]([NH3+])[C@H]1COCC[C@H]1[NH2+]Cc1ccnc(-c2ccccc2)c1 ZINC000629550968 399644917 /nfs/dbraw/zinc/64/49/17/399644917.db2.gz QJEFYGAXZINQHE-BMGDILEWSA-N 2 0 311.429 2.591 20 0 DFADRP CC(C)C[C@@H]1CCC[C@H]([NH2+]Cc2cn([C@H]3CC[NH2+]C3)nn2)C1 ZINC000629551872 399644959 /nfs/dbraw/zinc/64/49/59/399644959.db2.gz YCYHWABAVBTBDA-ZOBUZTSGSA-N 2 0 305.470 2.507 20 0 DFADRP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1[NH2+]Cc1ccnc(-c2ccccc2)c1 ZINC000629550975 399645643 /nfs/dbraw/zinc/64/56/43/399645643.db2.gz QJEFYGAXZINQHE-WBAXXEDZSA-N 2 0 311.429 2.591 20 0 DFADRP CC(C)(C)[C@@H]1CCCC[C@H]1[NH2+]Cc1cn([C@@H]2CC[NH2+]C2)nn1 ZINC000629553786 399646504 /nfs/dbraw/zinc/64/65/04/399646504.db2.gz XSLBHVPFHCNLPA-BZUAXINKSA-N 2 0 305.470 2.507 20 0 DFADRP COC[C@H](CCC[NH3+])[NH2+]CCc1c[nH]c2c1cccc2Cl ZINC000629556210 399648140 /nfs/dbraw/zinc/64/81/40/399648140.db2.gz NYJXTTKTLNQOAW-ZDUSSCGKSA-N 2 0 309.841 2.707 20 0 DFADRP Cc1ccc(CC[N@@H+]2CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C2)cc1 ZINC000629560653 399648751 /nfs/dbraw/zinc/64/87/51/399648751.db2.gz GEVPELHYWWDSRU-HUUCEWRRSA-N 2 0 300.368 2.997 20 0 DFADRP CN(CC[N@@H+]1CC[C@H](C(F)(F)F)[C@H](C[NH3+])C1)c1ccccc1 ZINC000629561360 399650656 /nfs/dbraw/zinc/65/06/56/399650656.db2.gz HVZBFAQCEHDLIQ-HIFRSBDPSA-N 2 0 315.383 2.582 20 0 DFADRP COc1ccc(C)cc1CN1CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000629567659 399652220 /nfs/dbraw/zinc/65/22/20/399652220.db2.gz PRTPUSATKXQICA-KBPBESRZSA-N 2 0 316.367 2.963 20 0 DFADRP COc1ccc(CN2CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C2)cc1F ZINC000629568868 399652275 /nfs/dbraw/zinc/65/22/75/399652275.db2.gz VHDFQFZJWPWGPN-VXGBXAGGSA-N 2 0 320.330 2.793 20 0 DFADRP C[NH2+]CCOCCN(C)Cc1csc(-c2ccsc2)n1 ZINC000629571026 399652473 /nfs/dbraw/zinc/65/24/73/399652473.db2.gz IKEUYFAYXOUUFO-UHFFFAOYSA-N 2 0 311.476 2.539 20 0 DFADRP Cc1c(C[C@H](C[NH3+])CO)cccc1-c1cccc(C[NH+](C)C)c1 ZINC000629706557 399695982 /nfs/dbraw/zinc/69/59/82/399695982.db2.gz LSQKFSVQOALJCV-QGZVFWFLSA-N 2 0 312.457 2.833 20 0 DFADRP FC(F)(F)[C@@H]1C[C@@H]([NH2+]C2CC[NH+](CC3CC3)CC2)CCO1 ZINC000348072287 285330434 /nfs/dbraw/zinc/33/04/34/285330434.db2.gz AFRTWMBVUFZDIZ-KBPBESRZSA-N 2 0 306.372 2.560 20 0 DFADRP C[C@H]([NH3+])c1ccc(-c2ccc(C[C@@H](C[NH3+])CO)cc2)cc1F ZINC000629737008 399708668 /nfs/dbraw/zinc/70/86/68/399708668.db2.gz CGACIYQIDYBTQH-JSGCOSHPSA-N 2 0 302.393 2.622 20 0 DFADRP C[C@@H]([NH3+])c1ccc(-c2cccc(C[C@@H](C[NH3+])CO)c2)cc1F ZINC000629738712 399710516 /nfs/dbraw/zinc/71/05/16/399710516.db2.gz XVYMNQBXBNMRNS-OCCSQVGLSA-N 2 0 302.393 2.622 20 0 DFADRP C[NH+](C)CCNC(=O)c1cccc(C[NH2+][C@H]2CCC(C)(C)C2)c1 ZINC000294958224 224338792 /nfs/dbraw/zinc/33/87/92/224338792.db2.gz FSURDUQFUZZFMI-KRWDZBQOSA-N 2 0 317.477 2.646 20 0 DFADRP Cc1nccnc1CC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000294973123 224350652 /nfs/dbraw/zinc/35/06/52/224350652.db2.gz KBXKKDXRLKYTQI-APWZRJJASA-N 2 0 324.472 2.828 20 0 DFADRP Cc1nccnc1CC[NH2+][C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000294976212 224352539 /nfs/dbraw/zinc/35/25/39/224352539.db2.gz KHRHECGUYJOJFQ-QFBILLFUSA-N 2 0 324.472 2.828 20 0 DFADRP Cc1nccnc1CC[NH2+][C@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000294976213 224352614 /nfs/dbraw/zinc/35/26/14/224352614.db2.gz KHRHECGUYJOJFQ-VQIMIIECSA-N 2 0 324.472 2.828 20 0 DFADRP C[C@H]([NH2+]Cc1cccc2c1OCCCO2)C1CC[NH+](C)CC1 ZINC000090546878 542536668 /nfs/dbraw/zinc/53/66/68/542536668.db2.gz BYXVGIZBHMVMKX-AWEZNQCLSA-N 2 0 304.434 2.668 20 0 DFADRP CCOC1CC[NH+](Cc2ccc(OCC[NH+](C)C)cc2)CC1 ZINC000091676583 542541798 /nfs/dbraw/zinc/54/17/98/542541798.db2.gz MBZFAIPDOPIGGU-UHFFFAOYSA-N 2 0 306.450 2.628 20 0 DFADRP OC[C@@H]1CC[C@H]([NH2+][C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]23)C1 ZINC000295039853 224397213 /nfs/dbraw/zinc/39/72/13/224397213.db2.gz MNVXLULSBYGWQB-OUUBHVDSSA-N 2 0 314.473 2.648 20 0 DFADRP C[NH+](C)CCN(CC1CCCCC1)C(=O)c1ccc(C[NH3+])cc1 ZINC000423755380 296443934 /nfs/dbraw/zinc/44/39/34/296443934.db2.gz DSTTUDAEVIXBLG-UHFFFAOYSA-N 2 0 317.477 2.729 20 0 DFADRP CCCOc1cccc2c(NC[C@@H]3COCCN3C)ccnc12 ZINC000624620527 399727901 /nfs/dbraw/zinc/72/79/01/399727901.db2.gz FZTHQSYCSKAJRO-CQSZACIVSA-N 2 0 315.417 2.766 20 0 DFADRP C[NH+](C)Cc1cccc(C[NH2+][C@@H]2CCO[C@H](C(F)(F)F)C2)c1 ZINC000348098338 285347022 /nfs/dbraw/zinc/34/70/22/285347022.db2.gz ARUNVVHFLZOQEK-CABCVRRESA-N 2 0 316.367 2.948 20 0 DFADRP COc1ccccc1N1CC[C@@H]([NH2+][C@H](C)C2CC[NH+](C)CC2)C1 ZINC000119718362 542574916 /nfs/dbraw/zinc/57/49/16/542574916.db2.gz LFRUBDWVTVNOGQ-NVXWUHKLSA-N 2 0 317.477 2.594 20 0 DFADRP C[C@H]([NH3+])c1ccc(C(=O)N(C)[C@@H](C)C2CC[NH+](C)CC2)cc1 ZINC000423759962 296444436 /nfs/dbraw/zinc/44/44/36/296444436.db2.gz MMONMHVPKRLCDW-KBPBESRZSA-N 2 0 303.450 2.509 20 0 DFADRP CO[C@H]1CCN([C@@H]2CCC[C@@H]2[NH2+]Cc2cc(F)ccc2C)C1 ZINC000626050343 399734961 /nfs/dbraw/zinc/73/49/61/399734961.db2.gz MEBUWEQMRFACFD-OKZBNKHCSA-N 2 0 306.425 2.866 20 0 DFADRP Cc1cc(C)n(CC2CC[NH+](CC[C@H]3CCC[N@H+]3C)CC2)n1 ZINC000120948720 195269743 /nfs/dbraw/zinc/26/97/43/195269743.db2.gz MZHMHOLQZIZTKT-GOSISDBHSA-N 2 0 304.482 2.696 20 0 DFADRP CCC[NH+]1CCC([NH2+][C@@H]2CCN(c3ncccc3Cl)C2)CC1 ZINC000119917330 542575641 /nfs/dbraw/zinc/57/56/41/542575641.db2.gz ZFBLYTKOZQUAOQ-OAHLLOKOSA-N 2 0 322.884 2.778 20 0 DFADRP CC(C)C[C@@H](CN(C)C)[NH2+][C@@H](C)c1cccc(-n2ccnn2)c1 ZINC000348117010 285359934 /nfs/dbraw/zinc/35/99/34/285359934.db2.gz WOYRTVPGXZFGKV-RDJZCZTQSA-N 2 0 315.465 2.894 20 0 DFADRP COC(=O)c1ccc([C@@H](C)[NH+]2CCC(CC[NH+](C)C)CC2)o1 ZINC000121658862 195325440 /nfs/dbraw/zinc/32/54/40/195325440.db2.gz CTMQOAFRWWNFSY-CYBMUJFWSA-N 2 0 308.422 2.791 20 0 DFADRP CCOC(=O)CCC[NH+]1CCC(CCC[NH+]2CCCC2)CC1 ZINC000121633925 195321193 /nfs/dbraw/zinc/32/11/93/195321193.db2.gz KGTYIAOSSQMJII-UHFFFAOYSA-N 2 0 310.482 2.918 20 0 DFADRP CC[N@H+](CCCn1ccnc1)Cc1ccc(C[NH+](C)C)cc1 ZINC000626062877 399741060 /nfs/dbraw/zinc/74/10/60/399741060.db2.gz JTGZVYICNCEPPJ-UHFFFAOYSA-N 2 0 300.450 2.857 20 0 DFADRP CC[N@@H+](Cc1ccc(C[NH+](C)C)cc1)C[C@@H](O)CC(F)(F)F ZINC000626063195 399742319 /nfs/dbraw/zinc/74/23/19/399742319.db2.gz VFPYYNMEHSPKHV-HNNXBMFYSA-N 2 0 318.383 2.883 20 0 DFADRP CC[N@@H+](Cc1ccc(C[NH+](C)C)cc1)C[C@H](OC)[C@@H]1CCOC1 ZINC000626063935 399742918 /nfs/dbraw/zinc/74/29/18/399742918.db2.gz WAFIXKXYQHIJGN-MOPGFXCFSA-N 2 0 320.477 2.622 20 0 DFADRP COCCCC[N@@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000309949323 533257844 /nfs/dbraw/zinc/25/78/44/533257844.db2.gz FICYPLSOJPCGPU-OALUTQOASA-N 2 0 302.462 2.867 20 0 DFADRP C[C@@H](C(=O)NC[C@H](c1ccsc1)[NH+](C)C)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000299684763 533276377 /nfs/dbraw/zinc/27/63/77/533276377.db2.gz SFQIFRWKFZKPBV-KNCOVGOOSA-N 2 0 323.506 2.728 20 0 DFADRP CCC[NH+](CCC)CCCC(=O)N[C@@H](C)C1CC[NH+](C)CC1 ZINC000603336762 399747241 /nfs/dbraw/zinc/74/72/41/399747241.db2.gz ORBUHYMPPSBASC-INIZCTEOSA-N 2 0 311.514 2.735 20 0 DFADRP C[C@@H]([NH2+][C@@H](C)[C@H]1CCOC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000309708442 533502063 /nfs/dbraw/zinc/50/20/63/533502063.db2.gz IULAICSKTHGGKT-JFRXWTBNSA-N 2 0 302.462 2.912 20 0 DFADRP c1ccc([C@@H]2C[C@@H]2C[NH2+]C2CC[NH+](C[C@H]3CCOC3)CC2)cc1 ZINC000348234348 285438609 /nfs/dbraw/zinc/43/86/09/285438609.db2.gz AAJWDBUKHONKOE-POAQFYNOSA-N 2 0 314.473 2.881 20 0 DFADRP C[C@H]([NH2+]C[C@H](c1ccc(F)cc1)N(C)C)C1CC[NH+](C)CC1 ZINC000124875864 542599214 /nfs/dbraw/zinc/59/92/14/542599214.db2.gz ZRMQMQRPUVMRKU-KBXCAEBGSA-N 2 0 307.457 2.748 20 0 DFADRP C[C@H]([NH2+]C[C@@H](c1ccc(F)cc1)N(C)C)C1CC[NH+](C)CC1 ZINC000124875387 542599453 /nfs/dbraw/zinc/59/94/53/542599453.db2.gz ZRMQMQRPUVMRKU-KSSFIOAISA-N 2 0 307.457 2.748 20 0 DFADRP CN(C)[C@H](CNC(=O)C[N@H+](C)C1CCC1)c1ccccc1Cl ZINC000629942985 399762053 /nfs/dbraw/zinc/76/20/53/399762053.db2.gz GMEDWUJNEGKMGM-MRXNPFEDSA-N 2 0 323.868 2.543 20 0 DFADRP C[C@@H]([NH2+]C1CCN(c2ccccc2)CC1)C1CC[NH+](C)CC1 ZINC000132812485 542643746 /nfs/dbraw/zinc/64/37/46/542643746.db2.gz WPEDJFJGNHNGMX-MRXNPFEDSA-N 2 0 301.478 2.975 20 0 DFADRP CC[NH+](CC)[C@H](C(=O)N1CC[C@H](C)[C@@H](C[NH3+])C1)c1ccccc1 ZINC000424003037 296473886 /nfs/dbraw/zinc/47/38/86/296473886.db2.gz QYKBSBZHWWCMQA-SZMVWBNQSA-N 2 0 317.477 2.513 20 0 DFADRP C[N@@H+]1CCCN(CCC[NH2+]Cc2ccc(F)cc2Cl)CC1 ZINC000136059547 542655421 /nfs/dbraw/zinc/65/54/21/542655421.db2.gz CBQPRTSUMAAZAM-UHFFFAOYSA-N 2 0 313.848 2.596 20 0 DFADRP c1ccc(N2CC[C@H](C[NH2+]C3CC[NH+](CC4CC4)CC3)C2)cc1 ZINC000152505146 542677329 /nfs/dbraw/zinc/67/73/29/542677329.db2.gz HGYRHIXLAHHWCJ-GOSISDBHSA-N 2 0 313.489 2.977 20 0 DFADRP CC(C)[NH+]1CCC([NH2+]C[C@H]2CCN(c3ccccc3)C2)CC1 ZINC000152578235 542678158 /nfs/dbraw/zinc/67/81/58/542678158.db2.gz ZZWKJPIXUJDFOD-QGZVFWFLSA-N 2 0 301.478 2.975 20 0 DFADRP CC(=O)Nc1cccc(C[NH2+]C2CCN(c3ccccn3)CC2)c1 ZINC000155470931 542696677 /nfs/dbraw/zinc/69/66/77/542696677.db2.gz PUPBVHGEVMCAFW-UHFFFAOYSA-N 2 0 324.428 2.799 20 0 DFADRP C[C@H]([NH2+][C@@H]1CCN(c2ccc(F)cc2F)C1)C1CC[NH+](C)CC1 ZINC000155489028 542696783 /nfs/dbraw/zinc/69/67/83/542696783.db2.gz XRBQCVVRZTYWIE-XJKSGUPXSA-N 2 0 323.431 2.863 20 0 DFADRP C[C@H]([NH2+][C@H]1CCN(c2ccc(F)cc2F)C1)C1CC[NH+](C)CC1 ZINC000155489246 542697007 /nfs/dbraw/zinc/69/70/07/542697007.db2.gz XRBQCVVRZTYWIE-BBRMVZONSA-N 2 0 323.431 2.863 20 0 DFADRP C[C@@]1(C[NH2+]Cc2ccc(OCC[NH+]3CCCC3)cc2)CCOC1 ZINC000603516018 399786598 /nfs/dbraw/zinc/78/65/98/399786598.db2.gz VPYNIMFJQHQVQW-IBGZPJMESA-N 2 0 318.461 2.677 20 0 DFADRP CC(C)C[C@](C)(C[NH3+])NC(=O)CC[C@H]([NH3+])CC1CCCCC1 ZINC000424083281 296484018 /nfs/dbraw/zinc/48/40/18/296484018.db2.gz XAINFWPJWWGXIJ-FUHWJXTLSA-N 2 0 311.514 2.944 20 0 DFADRP CC[NH+](CC)CCOc1ccccc1NC(=O)CC1([NH3+])CCC1 ZINC000164323943 542745060 /nfs/dbraw/zinc/74/50/60/542745060.db2.gz FVWPAKYSIAAUIT-UHFFFAOYSA-N 2 0 319.449 2.617 20 0 DFADRP C[C@H](C[NH2+][C@H](C)c1ccc([S@](C)=O)cc1)C[NH+]1CCCC1 ZINC000165315264 542748105 /nfs/dbraw/zinc/74/81/05/542748105.db2.gz NQKGOMCZVJBRLD-VTJXTGGHSA-N 2 0 308.491 2.807 20 0 DFADRP C[C@H]([NH2+]C1(CNC(=O)[C@H]2CCC[NH2+]2)CCCC1)c1ccccc1 ZINC000168665139 542754431 /nfs/dbraw/zinc/75/44/31/542754431.db2.gz FOCBZTIKJFMSDN-DOTOQJQBSA-N 2 0 315.461 2.518 20 0 DFADRP C[NH+](C)CCOc1cccc(-c2cccc3c2C[C@@H]2[C@@H]([NH3+])[C@H]32)c1 ZINC000630051910 399802514 /nfs/dbraw/zinc/80/25/14/399802514.db2.gz SMQRVEXDAJYNRS-XUVXKRRUSA-N 2 0 308.425 2.891 20 0 DFADRP CCC[C@@H]1C[NH2+]CCN1C(=O)CC[C@H]([NH3+])CC1CCCCC1 ZINC000424158609 296488893 /nfs/dbraw/zinc/48/88/93/296488893.db2.gz UBHOFAQCAXWNIY-DLBZAZTESA-N 2 0 309.498 2.665 20 0 DFADRP [NH3+][C@@H](CCC(=O)N1CCC2(C1)CC[NH2+]CC2)CC1CCCCC1 ZINC000424155048 296488560 /nfs/dbraw/zinc/48/85/60/296488560.db2.gz NDDSOXYEXZPQDR-KRWDZBQOSA-N 2 0 321.509 2.666 20 0 DFADRP C[C@H]([NH2+][C@@H]1C[C@H]2CC[C@@H]1O2)c1ccc(OCC[NH+](C)C)cc1 ZINC000178310307 542776090 /nfs/dbraw/zinc/77/60/90/542776090.db2.gz XYMZXYBWFGAHHV-LIRZEXBASA-N 2 0 304.434 2.598 20 0 DFADRP CCC1([NH+](C)C)CCN(C(=O)Nc2ccc(C[NH2+]C)cc2)CC1 ZINC000632951075 399805186 /nfs/dbraw/zinc/80/51/86/399805186.db2.gz IXMDHRSKHSEWRL-UHFFFAOYSA-N 2 0 318.465 2.744 20 0 DFADRP CC1([NH+]2CCCC2)CCN(C(=O)Nc2ccc(C[NH3+])cc2)CC1 ZINC000632951827 399806220 /nfs/dbraw/zinc/80/62/20/399806220.db2.gz SXQCXHMBJVVLGF-UHFFFAOYSA-N 2 0 316.449 2.628 20 0 DFADRP [NH3+]C[C@H]1CC[C@H](CNC(=O)CC[C@@H]([NH3+])CC2CCCCC2)CC1 ZINC000424180840 296491126 /nfs/dbraw/zinc/49/11/26/296491126.db2.gz WMQSXDXGRQSWPY-KZNAEPCWSA-N 2 0 323.525 2.946 20 0 DFADRP C[N@@H+]1CCCN(CCC[NH2+]CC(C)(C)c2ccccc2)CC1 ZINC000181765367 542791432 /nfs/dbraw/zinc/79/14/32/542791432.db2.gz KQAABDTXBOIQOI-UHFFFAOYSA-N 2 0 303.494 2.581 20 0 DFADRP CC[C@@H]([NH2+]C/C=C/C[NH2+][C@@H](CC)[C@@H]1CCCO1)[C@@H]1CCCO1 ZINC000182302324 542794013 /nfs/dbraw/zinc/79/40/13/542794013.db2.gz URVHUAIKUBUHJF-WTZILVGLSA-N 2 0 310.482 2.637 20 0 DFADRP C[N@@H+]1CCC[C@@H](CNC(=O)CC2([NH3+])CCC2)[C@@H]1c1cccs1 ZINC000237114659 542900971 /nfs/dbraw/zinc/90/09/71/542900971.db2.gz OUCZWOIKBNKDKJ-XJKSGUPXSA-N 2 0 321.490 2.519 20 0 DFADRP O[C@@H]1CCC[C@H]1[NH+]1CCC([NH2+][C@H]2CCc3ccc(F)cc32)CC1 ZINC000271438576 542965607 /nfs/dbraw/zinc/96/56/07/542965607.db2.gz CCBMOTUOMAPMBH-IPMKNSEASA-N 2 0 318.436 2.780 20 0 DFADRP COc1cc2[nH+]ccc(NCC(C)(C)[NH3+])c2cc1Br ZINC000424407893 296507525 /nfs/dbraw/zinc/50/75/25/296507525.db2.gz CTKAYAFMILVMNO-UHFFFAOYSA-N 2 0 324.222 2.577 20 0 DFADRP Cc1cc(C[NH3+])cc(NC(=O)NC[C@H](C)[NH+]2CCC(C)CC2)c1 ZINC000424430365 296509532 /nfs/dbraw/zinc/50/95/32/296509532.db2.gz BOVIIQQZZPXAAN-HNNXBMFYSA-N 2 0 318.465 2.696 20 0 DFADRP CC[N@@H+]1CC[C@@H]([NH2+]CCc2cccc(C(F)(F)F)n2)[C@H](C)C1 ZINC000293774023 543021989 /nfs/dbraw/zinc/02/19/89/543021989.db2.gz SKJKDWJGPQGKJM-TZMCWYRMSA-N 2 0 315.383 2.963 20 0 DFADRP CCC(CC)[C@H](CNC(=O)Nc1cc(C)cc(C[NH3+])c1)[NH+](C)C ZINC000424436712 296509839 /nfs/dbraw/zinc/50/98/39/296509839.db2.gz MTAHRHRXRKWWMI-KRWDZBQOSA-N 2 0 320.481 2.942 20 0 DFADRP c1ccc(C[N@@H+]2C[C@@H]3CC[C@H]([NH2+][C@H]4CCC[NH2+]CC4)[C@H]3C2)cc1 ZINC000309822539 543065896 /nfs/dbraw/zinc/06/58/96/543065896.db2.gz ZZNRCESRVFVUHT-MUGJNUQGSA-N 3 0 313.489 2.629 20 0 DFADRP Cc1ccc([C@@H](C)[NH2+]CC(C)(C)N2CC[NH+](C)CC2)c(C)c1 ZINC000314406211 543069262 /nfs/dbraw/zinc/06/92/62/543069262.db2.gz VKMYPIDAXUSLIU-QGZVFWFLSA-N 2 0 303.494 2.980 20 0 DFADRP CCCOc1ccc(OCC[N@@H+]2CC[C@@H]([NH3+])[C@@H](CC)C2)cc1 ZINC000317616428 543076173 /nfs/dbraw/zinc/07/61/73/543076173.db2.gz TUAIUNMGXSBWOM-MAUKXSAKSA-N 2 0 306.450 2.913 20 0 DFADRP COc1cc2cc[nH+]c(NC[C@@H](C)C[NH+](C)C)c2cc1OC ZINC000319544983 543079912 /nfs/dbraw/zinc/07/99/12/543079912.db2.gz DXWBPYZZRQCBEU-GFCCVEGCSA-N 2 0 303.406 2.862 20 0 DFADRP C[C@@H]([NH2+]CC(C)(C)N1CC[NH+](C)CC1)c1ccc2c(c1)CCC2 ZINC000319987477 543081135 /nfs/dbraw/zinc/08/11/35/543081135.db2.gz KIDPSSLZPLSHCV-MRXNPFEDSA-N 2 0 315.505 2.852 20 0 DFADRP COc1ccc([C@@H](C)[NH2+]CC(C)(C)N2CC[NH+](C)CC2)cc1F ZINC000320391009 543082348 /nfs/dbraw/zinc/08/23/48/543082348.db2.gz XMNBIQSWGLPKKX-CQSZACIVSA-N 2 0 323.456 2.511 20 0 DFADRP C[N@H+](CCN1CC[NH2+]CC1)C1c2ccccc2-c2ccccc21 ZINC000320704909 543083301 /nfs/dbraw/zinc/08/33/01/543083301.db2.gz JDDBDPGEQLCDLJ-UHFFFAOYSA-N 2 0 307.441 2.593 20 0 DFADRP Cc1cc(C)c(C[NH+]2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)c(C)c1 ZINC000604389186 399843602 /nfs/dbraw/zinc/84/36/02/399843602.db2.gz UXPIGKGTRIUWJP-LJQANCHMSA-N 2 0 315.505 2.824 20 0 DFADRP CC1(C)CCC([NH2+]CC(=O)NCC[NH+]2CCCCCC2)CC1 ZINC000353670486 146709512 /nfs/dbraw/zinc/70/95/12/146709512.db2.gz HRAYKWIZAHTDAE-UHFFFAOYSA-N 2 0 309.498 2.537 20 0 DFADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)CC[NH+]2CCCC[C@@H]2C)C1 ZINC000339263974 543142712 /nfs/dbraw/zinc/14/27/12/543142712.db2.gz IBNURPYGIDJFRD-KSZLIROESA-N 2 0 323.525 2.735 20 0 DFADRP CC(C)CC[NH+]1CCC(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)CC1 ZINC000339066867 543139407 /nfs/dbraw/zinc/13/94/07/543139407.db2.gz IIMMSLGFPOJFIV-MOPGFXCFSA-N 3 0 307.526 2.961 20 0 DFADRP C1C[C@H]2C[C@H](NC3CC[NH+](C4CCCCC4)CC3)CC[N@@H+]2C1 ZINC000339077049 543140167 /nfs/dbraw/zinc/14/01/67/543140167.db2.gz YORDSKGDZFXTNN-MJGOQNOKSA-N 2 0 305.510 3.000 20 0 DFADRP C[NH+](C)[C@H](CN[C@@H]1CC[N@@H+]2CCC[C@H]2C1)c1cccc(F)c1 ZINC000339066663 543140512 /nfs/dbraw/zinc/14/05/12/543140512.db2.gz CSHPIBCXRORVCX-FGTMMUONSA-N 2 0 305.441 2.645 20 0 DFADRP CC[NH+]1CCN(c2ccc(C[NH2+][C@@H]3CC[C@H]3C3CC3)cn2)CC1 ZINC000348077786 543183040 /nfs/dbraw/zinc/18/30/40/543183040.db2.gz FFOWLXIYIXVPQE-ZWKOTPCHSA-N 2 0 314.477 2.502 20 0 DFADRP C[NH+]1CCN(Cc2ccc(C[NH2+][C@@H]3CC[C@@H]3C3CC3)cc2)CC1 ZINC000348081060 543183086 /nfs/dbraw/zinc/18/30/86/543183086.db2.gz HXWBSKQTULKZPS-WOJBJXKFSA-N 2 0 313.489 2.712 20 0 DFADRP C[NH+]1CCC(C[NH2+][C@@H]2CC[C@@H]2C2CC2)(N2CCCCC2)CC1 ZINC000348102592 543183546 /nfs/dbraw/zinc/18/35/46/543183546.db2.gz NYLLZDIKUGTNRY-QZTJIDSGSA-N 2 0 305.510 2.715 20 0 DFADRP CC(C)[C@H]1CC[C@@H]1[NH2+]CCCN1CCN(c2cc[nH+]cc2)CC1 ZINC000353495486 543235647 /nfs/dbraw/zinc/23/56/47/543235647.db2.gz HWUZNBNZNCLNKD-MOPGFXCFSA-N 2 0 316.493 2.618 20 0 DFADRP CC(C)[C@@H]1CC[C@@H]1[NH2+]Cc1cccc(C(=O)NCC[NH+](C)C)c1 ZINC000353497492 543235929 /nfs/dbraw/zinc/23/59/29/543235929.db2.gz OTRHKQMCGIYENJ-ROUUACIJSA-N 2 0 317.477 2.502 20 0 DFADRP CC[N@H+](CCC1CC[NH+](Cc2cncnc2)CC1)CC1CC1 ZINC000355898131 543252997 /nfs/dbraw/zinc/25/29/97/543252997.db2.gz FXJDWAFXAYWKTE-UHFFFAOYSA-N 2 0 302.466 2.811 20 0 DFADRP COc1cc2c(cc1OC)[C@@H]([NH2+]CC1=CC[N@H+](C)CC1)CC2 ZINC000358965231 543269978 /nfs/dbraw/zinc/26/99/78/543269978.db2.gz MOUZVJIGTUHOBG-INIZCTEOSA-N 2 0 302.418 2.543 20 0 DFADRP CCOc1ccccc1OCC[N@@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000390675804 543306249 /nfs/dbraw/zinc/30/62/49/543306249.db2.gz RPYUDVUEAOIXQN-YJBOKZPZSA-N 2 0 304.434 2.525 20 0 DFADRP C[C@@H]([NH2+][C@@H](C)c1cnn(C)c1)c1cccc(OCC[NH+](C)C)c1 ZINC000163867474 145223909 /nfs/dbraw/zinc/22/39/09/145223909.db2.gz AWIUJWYFYSKGPL-CABCVRRESA-N 2 0 316.449 2.772 20 0 DFADRP C[C@H]([NH3+])[C@@H]1CCN(CC(=O)Nc2ccc(Cl)c(Cl)c2)C1 ZINC000168656408 145243709 /nfs/dbraw/zinc/24/37/09/145243709.db2.gz JTXBCQMZNBVMGY-VHSXEESVSA-N 2 0 316.232 2.601 20 0 DFADRP CC[NH+](CC)[C@@H](C(=O)N[C@@H]1CCC[N@H+](CC)C1)c1ccccc1 ZINC000170903734 145255593 /nfs/dbraw/zinc/25/55/93/145255593.db2.gz NASWGGMFXUCZGM-QZTJIDSGSA-N 2 0 317.477 2.670 20 0 DFADRP [NH3+]CCC[N@@H+]1CCC[C@H](Nc2cccc(Br)c2)C1 ZINC000414752131 543327469 /nfs/dbraw/zinc/32/74/69/543327469.db2.gz KAJRWVHELPSQFD-AWEZNQCLSA-N 2 0 312.255 2.674 20 0 DFADRP Cc1nn(-c2cccc(F)c2)cc1C[NH2+][C@@H]1CCC[C@@H]([NH3+])C1 ZINC000414916804 543327844 /nfs/dbraw/zinc/32/78/44/543327844.db2.gz PCYVKLCNYDVYOA-HZPDHXFCSA-N 2 0 302.397 2.679 20 0 DFADRP Brc1ccc(C[NH2+]C2CC[NH2+]CC2)c2ncccc12 ZINC000414797547 543328009 /nfs/dbraw/zinc/32/80/09/543328009.db2.gz ZHXFPRXOVICBRD-UHFFFAOYSA-N 2 0 320.234 2.839 20 0 DFADRP [NH3+][C@@H]1CCC[C@@H]([NH2+]Cc2ccc(OC[C@H]3CCCO3)cc2)C1 ZINC000414907697 543328041 /nfs/dbraw/zinc/32/80/41/543328041.db2.gz AVEOUCSUZHJFGD-JFIYKMOQSA-N 2 0 304.434 2.604 20 0 DFADRP Cc1cccc(NC(=O)C[C@H](C)[NH2+][C@@H]2CCC[C@H]([NH3+])C2)c1C ZINC000414930181 543328101 /nfs/dbraw/zinc/32/81/01/543328101.db2.gz SPAHTBMKCOAOAT-CWRNSKLLSA-N 2 0 303.450 2.880 20 0 DFADRP Cc1ccc(NC(=O)C[C@H](C)[NH2+][C@H]2CCC[C@@H]([NH3+])C2)c(C)c1 ZINC000414932959 543328394 /nfs/dbraw/zinc/32/83/94/543328394.db2.gz WGAQSELTOLEVTJ-XHSDSOJGSA-N 2 0 303.450 2.880 20 0 DFADRP CC[NH+]1CCC(C[NH2+]Cc2ccncc2Br)CC1 ZINC000631063033 399972414 /nfs/dbraw/zinc/97/24/14/399972414.db2.gz FQCQIKIMYYSCTF-UHFFFAOYSA-N 2 0 312.255 2.666 20 0 DFADRP COc1cc(F)cc(OC)c1C[NH2+]CC[C@@H]1CCC[N@H+](C)C1 ZINC000631157696 399992384 /nfs/dbraw/zinc/99/23/84/399992384.db2.gz FJNXZCVWMJHPAY-ZDUSSCGKSA-N 2 0 310.413 2.664 20 0 DFADRP C[NH+](C)CCOC1CC[NH+](Cc2ccc3[nH]ccc3c2)CC1 ZINC000628169569 399995825 /nfs/dbraw/zinc/99/58/25/399995825.db2.gz FMVBAYOQVXQGEP-UHFFFAOYSA-N 2 0 301.434 2.711 20 0 DFADRP CC[NH+](CC)CCO[C@@H]1CC[N@H+](C[C@@]2(C)CCCS2)C1 ZINC000628186672 399998239 /nfs/dbraw/zinc/99/82/39/399998239.db2.gz SMHWMOGVUHPNMU-HZPDHXFCSA-N 2 0 300.512 2.705 20 0 DFADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C[NH2+]CC1=CCCOC1 ZINC000631196058 400001560 /nfs/dbraw/zinc/00/15/60/400001560.db2.gz NKDSKDLNRNAYNV-APWZRJJASA-N 2 0 300.446 2.691 20 0 DFADRP CC[C@@H]1CCCC[C@H]1C[NH2+][C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000628214292 400003131 /nfs/dbraw/zinc/00/31/31/400003131.db2.gz RTEZOWNHYCCMHD-FGTMMUONSA-N 2 0 307.526 2.961 20 0 DFADRP Cc1ccc([C@H](C)C[NH2+][C@H](C)CCN2CC[NH+](C)CC2)cc1 ZINC000628240405 400006430 /nfs/dbraw/zinc/00/64/30/400006430.db2.gz CUDGBQZCSROGNH-QZTJIDSGSA-N 2 0 303.494 2.714 20 0 DFADRP CCC[C@@H]([NH2+]CCN1CCC([NH+](C)C)CC1)c1cc(C)ccn1 ZINC000631584015 400054722 /nfs/dbraw/zinc/05/47/22/400054722.db2.gz AVTDSNFEXCDBOM-GOSISDBHSA-N 2 0 318.509 2.847 20 0 DFADRP COc1ccc2c(c1)CC[C@@H]2[NH2+][C@@H](C)CN(C)CCC[NH+](C)C ZINC000631648020 400061842 /nfs/dbraw/zinc/06/18/42/400061842.db2.gz URDKWGJGYWKVLY-KXBFYZLASA-N 2 0 319.493 2.544 20 0 DFADRP O[C@H]1CCC[C@@H]1[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000631742245 400071477 /nfs/dbraw/zinc/07/14/77/400071477.db2.gz OCDGRTRNVXDJQR-PJVZLEMVSA-N 2 0 300.446 2.685 20 0 DFADRP CC(C)[C@H]1CN([C@H]2C[C@@H](C)[NH+](Cc3ccccc3)C2)CC[N@@H+]1C ZINC000631793441 400075883 /nfs/dbraw/zinc/07/58/83/400075883.db2.gz GZZJVDUXHUFEKR-YZGWKJHDSA-N 2 0 315.505 2.921 20 0 DFADRP COc1cccc(-c2nc(C[NH+]3CCC(CC[NH3+])CC3)co2)c1 ZINC000631829352 400078169 /nfs/dbraw/zinc/07/81/69/400078169.db2.gz OJHJHQGZPDUDKG-UHFFFAOYSA-N 2 0 315.417 2.911 20 0 DFADRP C[C@@H]1C[N@H+](Cc2ccccc2OCC(F)(F)F)C[C@@H]1C[NH3+] ZINC000631841194 400078978 /nfs/dbraw/zinc/07/89/78/400078978.db2.gz ZLVAUZXYOYIHHS-YPMHNXCESA-N 2 0 302.340 2.654 20 0 DFADRP CC[NH+](CC)CCOCC[NH2+][C@H]1CCCc2nc(C)sc21 ZINC000349670275 285912628 /nfs/dbraw/zinc/91/26/28/285912628.db2.gz VCAFYJHAHUGEMM-AWEZNQCLSA-N 2 0 311.495 2.777 20 0 DFADRP CC1(C[NH2+]Cc2ccccc2C[NH+]2CCC(O)CC2)CCC1 ZINC000434780253 543349807 /nfs/dbraw/zinc/34/98/07/543349807.db2.gz YUVABCAQOVXEGD-UHFFFAOYSA-N 2 0 302.462 2.923 20 0 DFADRP CC1(C[NH2+]Cc2ccc(C[NH+]3CCC(O)CC3)cc2)CCC1 ZINC000434771155 543349950 /nfs/dbraw/zinc/34/99/50/543349950.db2.gz AIWICZRLZAQDDJ-UHFFFAOYSA-N 2 0 302.462 2.923 20 0 DFADRP COC[C@@H](CCC[NH3+])[NH2+][C@@H](C)c1ccc(Br)cc1 ZINC000234740263 146017825 /nfs/dbraw/zinc/01/78/25/146017825.db2.gz JBZVUQGWHXZTLY-SMDDNHRTSA-N 2 0 315.255 2.854 20 0 DFADRP COC[C@H](CCC[NH3+])[NH2+][C@H](C)c1cccc(OC(F)F)c1 ZINC000234697295 146017999 /nfs/dbraw/zinc/01/79/99/146017999.db2.gz BFVDGIHAESBAJN-YPMHNXCESA-N 2 0 302.365 2.693 20 0 DFADRP Cc1ccc2[nH]c(C[NH2+][C@H](C)CN3CC[NH+](C)CC3)cc2c1C ZINC000349675948 285913516 /nfs/dbraw/zinc/91/35/16/285913516.db2.gz ZGELVZLPOUMHOX-OAHLLOKOSA-N 2 0 314.477 2.510 20 0 DFADRP CCCC[C@H]([NH3+])C(=O)NC[C@@H](c1ccccc1)[NH+](CC)CC ZINC000236810738 146028629 /nfs/dbraw/zinc/02/86/29/146028629.db2.gz KYQLCTYKHGHUJE-IRXDYDNUSA-N 2 0 305.466 2.703 20 0 DFADRP CC[NH+](CC)[C@@H](CNC(=O)[C@@]1(C)CCCC[NH2+]1)c1ccsc1 ZINC000236832098 146028843 /nfs/dbraw/zinc/02/88/43/146028843.db2.gz DCFKCTBMTBIKIS-DOTOQJQBSA-N 2 0 323.506 2.779 20 0 DFADRP [NH3+]CCCCCCC(=O)N1CCC[C@@H]([NH+]2CCCCCC2)C1 ZINC000237972845 146056383 /nfs/dbraw/zinc/05/63/83/146056383.db2.gz NWCOPYZBKBSXKM-QGZVFWFLSA-N 2 0 309.498 2.763 20 0 DFADRP CC1CC[NH+](C[C@@H]2CCCN(CC[C@H]3CCC[N@@H+]3C)C2)CC1 ZINC000245705183 146096786 /nfs/dbraw/zinc/09/67/86/146096786.db2.gz YIBRKOWHOUOLHQ-RTBURBONSA-N 3 0 307.526 2.915 20 0 DFADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@H]2CCN(C)c3ccccc32)[C@@H](C)C1 ZINC000245924277 146111406 /nfs/dbraw/zinc/11/14/06/146111406.db2.gz RTWXHBLWFPCEDW-JZXOWHBKSA-N 2 0 301.478 2.930 20 0 DFADRP CC[N@@H+]1CC[C@@H](C[NH2+][C@H](C)c2cnn(Cc3ccccc3)c2)C1 ZINC000247154378 146163480 /nfs/dbraw/zinc/16/34/80/146163480.db2.gz TWFUYTAZFZBISV-AEFFLSMTSA-N 2 0 312.461 2.924 20 0 DFADRP C[C@@H]1C[NH+](CC2CC[NH+](C[C@H]3CCC=CO3)CC2)C[C@@H](C)O1 ZINC000248995515 146181063 /nfs/dbraw/zinc/18/10/63/146181063.db2.gz OURSFYVGURDQDD-JFIYKMOQSA-N 2 0 308.466 2.500 20 0 DFADRP C[C@H]1C[C@H](C)C[NH+](C(C)(C)CNC2C[C@H]3CC[C@@H](C2)[N@H+]3C)C1 ZINC000249000398 146181699 /nfs/dbraw/zinc/18/16/99/146181699.db2.gz QILDBPVRZKIGCI-DUQJVZAFSA-N 2 0 307.526 2.958 20 0 DFADRP C[C@@H]1C[C@H](NC2C[C@H]3CC[C@@H](C2)[NH+]3C)C[N@@H+]1Cc1ccccc1 ZINC000249031023 146182551 /nfs/dbraw/zinc/18/25/51/146182551.db2.gz RCRABHYFWIYBCA-IFNDBITQSA-N 2 0 313.489 2.864 20 0 DFADRP C[C@@H](C[NH2+]CCCC[N@@H+]1CCC[C@H]1CO)Cc1ccccc1 ZINC000249459213 146198336 /nfs/dbraw/zinc/19/83/36/146198336.db2.gz QJKHCNMMJLSEMN-MJGOQNOKSA-N 2 0 304.478 2.692 20 0 DFADRP C[N@@H+]1CCC[C@H]2C[NH+](CCCc3ccc4c(c3)CCO4)CC[C@H]21 ZINC000249520560 146200783 /nfs/dbraw/zinc/20/07/83/146200783.db2.gz UZXXOBSNONMZNC-RBUKOAKNSA-N 2 0 314.473 2.970 20 0 DFADRP OCCC1(C[NH2+][C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)CC1 ZINC000250095559 146210486 /nfs/dbraw/zinc/21/04/86/146210486.db2.gz QSOUVRMGXCVXPX-GBESFXJTSA-N 2 0 314.473 2.649 20 0 DFADRP C[C@H]1C[C@H](N[C@@H]2CC[NH+](C)[C@H](C)C2)C[N@@H+]1Cc1ccccc1 ZINC000252695958 146222407 /nfs/dbraw/zinc/22/24/07/146222407.db2.gz AZPRWTRAZHBWOO-JFRXWTBNSA-N 2 0 301.478 2.722 20 0 DFADRP C[C@H]1C[C@H](C[N@H+](C)C2CCN(Cc3ccccc3)CC2)CC[NH2+]1 ZINC000261544200 146238254 /nfs/dbraw/zinc/23/82/54/146238254.db2.gz IOTVUSFFSAVSLR-PKOBYXMFSA-N 2 0 315.505 2.971 20 0 DFADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000261551696 146239439 /nfs/dbraw/zinc/23/94/39/146239439.db2.gz QVIQYTPVPWICBW-FHWLQOOXSA-N 3 0 301.478 2.616 20 0 DFADRP C[C@H](C(=O)Nc1cccc2ccccc21)N1CC[C@@](C)(C[NH3+])C1 ZINC000261637207 146250534 /nfs/dbraw/zinc/25/05/34/146250534.db2.gz FZGRXHCXXNLYQF-KUHUBIRLSA-N 2 0 311.429 2.838 20 0 DFADRP CC(C)(C)c1n[nH]cc1C[N@@H+]1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000261634819 146251200 /nfs/dbraw/zinc/25/12/00/146251200.db2.gz FTHYKKHKJKVONX-WBVHZDCISA-N 2 0 312.461 2.882 20 0 DFADRP Cc1ccc(C[N@@H+]2CCC[C@H](CC[NH3+])C2)c(-c2cnn(C)c2)c1 ZINC000261646192 146252701 /nfs/dbraw/zinc/25/27/01/146252701.db2.gz APQXEJZOUSCYMK-MRXNPFEDSA-N 2 0 312.461 2.956 20 0 DFADRP C[C@@]1(C[NH3+])CC[N@H+](Cc2c[nH]nc2-c2cccc(Cl)c2)C1 ZINC000261660654 146255202 /nfs/dbraw/zinc/25/52/02/146255202.db2.gz FRVHAEQXEUGQNI-INIZCTEOSA-N 2 0 304.825 2.901 20 0 DFADRP CCC[C@@](C)([NH3+])C(=O)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000261668946 146256757 /nfs/dbraw/zinc/25/67/57/146256757.db2.gz HALKGZKMTGVCRC-LJQANCHMSA-N 2 0 317.477 2.806 20 0 DFADRP Cc1cccn2c(C[N@@H+]3C[C@@H](C[NH3+])[C@H](c4ccccc4)C3)cnc12 ZINC000261683197 146259580 /nfs/dbraw/zinc/25/95/80/146259580.db2.gz KCWIWEZJVRKFKJ-MJGOQNOKSA-N 2 0 320.440 2.817 20 0 DFADRP C[C@@H]1C[C@@H](N(C)C[C@]2(C)CC[NH2+]C2)CC[N@@H+]1Cc1ccccc1 ZINC000261714587 146263685 /nfs/dbraw/zinc/26/36/85/146263685.db2.gz FARWGQQMIYJBGI-YZGWKJHDSA-N 3 0 315.505 2.971 20 0 DFADRP C[C@@H]([NH3+])CC(=O)NCc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000261721171 146264972 /nfs/dbraw/zinc/26/49/72/146264972.db2.gz FDZBGAZNTIPWDS-OAHLLOKOSA-N 2 0 317.477 2.805 20 0 DFADRP Cc1ccc(C[N@H+](C)CC(C)(C)C[NH3+])c(-c2cnn(C)c2)c1 ZINC000261753583 146270829 /nfs/dbraw/zinc/27/08/29/146270829.db2.gz CIVHPLQYMRXTJH-UHFFFAOYSA-N 2 0 300.450 2.812 20 0 DFADRP Cn1cnc2cc(C[N@@H+]3C[C@@H](C[NH3+])[C@H](c4ccccc4)C3)ccc21 ZINC000261806846 146280521 /nfs/dbraw/zinc/28/05/21/146280521.db2.gz WKMPNXWUVWJUJN-MSOLQXFVSA-N 2 0 320.440 2.748 20 0 DFADRP Cc1nc2ccccc2n1CC[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000261818068 146282062 /nfs/dbraw/zinc/28/20/62/146282062.db2.gz WJGNDXBQYHBUPG-GVDBMIGSSA-N 2 0 312.461 2.855 20 0 DFADRP COc1cccc(C2(F)CC[NH+](CC3CC[NH2+]CC3)CC2)c1 ZINC000261835251 146286195 /nfs/dbraw/zinc/28/61/95/146286195.db2.gz RNXLEKJCXXBFSC-UHFFFAOYSA-N 2 0 306.425 2.955 20 0 DFADRP COc1cc(C[NH+]2CCC([C@H]3CCC[NH2+]3)CC2)cc(OC)c1 ZINC000261836732 146286233 /nfs/dbraw/zinc/28/62/33/146286233.db2.gz CAKDVGDMVCPJAU-GOSISDBHSA-N 2 0 304.434 2.668 20 0 DFADRP C[C@]1(CN2CCc3c(Br)cccc3C2)CC[NH2+]C1 ZINC000261907048 146298544 /nfs/dbraw/zinc/29/85/44/146298544.db2.gz XFQUUQIVIFAXRM-HNNXBMFYSA-N 2 0 309.251 2.807 20 0 DFADRP Cc1ccc2c(C[N@@H+]3CCC[C@H](CC[NH3+])C3)cc(=O)oc2c1 ZINC000261916829 146301351 /nfs/dbraw/zinc/30/13/51/146301351.db2.gz HCRBHJBBJWEFQX-CQSZACIVSA-N 2 0 300.402 2.662 20 0 DFADRP CCOc1cc(C)ccc1C[NH2+][C@@H]1CCC[C@H]1[C@@H]1COCCN1 ZINC000261939803 146305749 /nfs/dbraw/zinc/30/57/49/146305749.db2.gz MQOBPNALFSHUDO-KURKYZTESA-N 2 0 318.461 2.640 20 0 DFADRP CCOc1cc(C)ccc1C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1COCCN1 ZINC000261939800 146305788 /nfs/dbraw/zinc/30/57/88/146305788.db2.gz MQOBPNALFSHUDO-KSZLIROESA-N 2 0 318.461 2.640 20 0 DFADRP c1cc(CN2CCC([NH2+]CC3CC3)CC2)n(-c2ccccc2)n1 ZINC000261953008 146308693 /nfs/dbraw/zinc/30/86/93/146308693.db2.gz OEYUNRCUOCEDSX-UHFFFAOYSA-N 2 0 310.445 2.836 20 0 DFADRP CCOc1ccc(C(C)=O)cc1CN1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000261952413 146309005 /nfs/dbraw/zinc/30/90/05/146309005.db2.gz WPCFHURKDIEXPB-JQHSSLGASA-N 2 0 316.445 2.847 20 0 DFADRP c1csc(C[N@@H+](CC[C@@H]2CCOC2)[C@H]2CC23CC[NH2+]CC3)n1 ZINC000261976556 146313737 /nfs/dbraw/zinc/31/37/37/146313737.db2.gz QWHCCWJNPUPOOI-CABCVRRESA-N 2 0 321.490 2.514 20 0 DFADRP c1csc(C[N@@H+](CC[C@H]2CCOC2)[C@H]2CC23CC[NH2+]CC3)n1 ZINC000261976560 146313818 /nfs/dbraw/zinc/31/38/18/146313818.db2.gz QWHCCWJNPUPOOI-GJZGRUSLSA-N 2 0 321.490 2.514 20 0 DFADRP C[NH2+]CCC1CC[NH+]([C@H](C)C(=O)Nc2cccc(C)c2)CC1 ZINC000261982201 146315547 /nfs/dbraw/zinc/31/55/47/146315547.db2.gz IMMNKYICTDFUAU-OAHLLOKOSA-N 2 0 303.450 2.644 20 0 DFADRP COc1ccc(C[NH+]2CCC([C@@H]3CCC[NH2+]3)CC2)cc1OC ZINC000261982440 146315709 /nfs/dbraw/zinc/31/57/09/146315709.db2.gz ROPNAJRWMCTWTO-INIZCTEOSA-N 2 0 304.434 2.668 20 0 DFADRP Cc1ccccc1-n1nccc1C[N@@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000261981709 146316003 /nfs/dbraw/zinc/31/60/03/146316003.db2.gz JFXONLJFEXMRBZ-UHFFFAOYSA-N 2 0 310.445 2.756 20 0 DFADRP C[NH2+]CCC1CC[NH+]([C@H](C)c2nc(-c3cccnc3)no2)CC1 ZINC000261988487 146318012 /nfs/dbraw/zinc/31/80/12/146318012.db2.gz KYSRWYSYXWIULC-CYBMUJFWSA-N 2 0 315.421 2.514 20 0 DFADRP C[NH2+]CCC1CC[NH+]([C@@H](C)C(=O)Nc2ccc(C)cc2C)CC1 ZINC000262004471 146320588 /nfs/dbraw/zinc/32/05/88/146320588.db2.gz QZDTXVKPRNGIAG-INIZCTEOSA-N 2 0 317.477 2.952 20 0 DFADRP FC(F)(F)c1cc([C@@H]2CCC[N@H+](C[C@H]3CCC[NH2+]C3)C2)[nH]n1 ZINC000262000936 146321401 /nfs/dbraw/zinc/32/14/01/146321401.db2.gz UCRYZIFJZFWYDD-NWDGAFQWSA-N 2 0 316.371 2.608 20 0 DFADRP FC(F)(F)c1cc([C@H]2CCC[N@H+](C[C@H]3CCC[NH2+]C3)C2)[nH]n1 ZINC000262000937 146321522 /nfs/dbraw/zinc/32/15/22/146321522.db2.gz UCRYZIFJZFWYDD-RYUDHWBXSA-N 2 0 316.371 2.608 20 0 DFADRP COc1cccc(NC2CC[NH+](C[C@@]3(C)CC[NH2+]C3)CC2)c1 ZINC000262014989 146322424 /nfs/dbraw/zinc/32/24/24/146322424.db2.gz MQNGWJNAHXQNEZ-SFHVURJKSA-N 2 0 303.450 2.571 20 0 DFADRP FC(F)(F)c1c[nH]c([C@H]2CCC[N@H+](CC3CC[NH2+]CC3)C2)n1 ZINC000262013554 146322626 /nfs/dbraw/zinc/32/26/26/146322626.db2.gz VHGBOJXNAWRDDE-LBPRGKRZSA-N 2 0 316.371 2.608 20 0 DFADRP Cn1cc(-c2ccc(C[N@H+](C)[C@@H]3CCC[NH2+]CC3)s2)cn1 ZINC000262028084 146323412 /nfs/dbraw/zinc/32/34/12/146323412.db2.gz WVVQCVVIYBBGKC-CQSZACIVSA-N 2 0 304.463 2.723 20 0 DFADRP COc1ccc(C[N@@H+]2CCC[C@@H](CC[NH3+])C2)cc1OC(F)F ZINC000262019513 146324037 /nfs/dbraw/zinc/32/40/37/146324037.db2.gz XIUUNEZMECQHDE-LBPRGKRZSA-N 2 0 314.376 2.857 20 0 DFADRP C[C@H]1CN(Cc2ccc(-n3cnc4ccccc43)cc2)C[C@@H]1[NH3+] ZINC000262037143 146325929 /nfs/dbraw/zinc/32/59/29/146325929.db2.gz OTCSPXVLZVIWEZ-YOEHRIQHSA-N 2 0 306.413 2.805 20 0 DFADRP Cc1cccc(-c2n[nH]cc2C[N@@H+]2CCC3(C2)CC[NH2+]CC3)c1 ZINC000262042104 146326362 /nfs/dbraw/zinc/32/63/62/146326362.db2.gz PGDMLQIAKCYZKB-UHFFFAOYSA-N 2 0 310.445 2.961 20 0 DFADRP Cc1ccc(C[N@@H+]2CCC[C@@H](CC[NH3+])C2)c(-c2ccnn2C)c1 ZINC000262037057 146326603 /nfs/dbraw/zinc/32/66/03/146326603.db2.gz XVCAXRHXGRHREN-INIZCTEOSA-N 2 0 312.461 2.956 20 0 DFADRP Cc1ccc(C[N@H+]2CCC[C@@H]([C@@H](C)[NH3+])C2)c(-c2cnn(C)c2)c1 ZINC000262052676 146327396 /nfs/dbraw/zinc/32/73/96/146327396.db2.gz ZTXLJFSFASGOTE-HZPDHXFCSA-N 2 0 312.461 2.955 20 0 DFADRP C[C@@H]1C[N@H+](Cc2ccccc2)CCCN1C[C@]1(C)CC[NH2+]C1 ZINC000262101983 146332974 /nfs/dbraw/zinc/33/29/74/146332974.db2.gz VROZUGDFFWCRGV-IEBWSBKVSA-N 2 0 301.478 2.582 20 0 DFADRP C[C@H]1CCC[C@H](C)[NH+]1CCNC(=O)C1C[C@H]2CCC[C@@H](C1)C2[NH3+] ZINC000262353516 146353683 /nfs/dbraw/zinc/35/36/83/146353683.db2.gz UUMISOUNDKPJEJ-GPNCCUPLSA-N 2 0 321.509 2.519 20 0 DFADRP CC[NH2+][C@H](C)CNC(=O)c1ccc(C[N@H+](CC)C(C)C)cc1 ZINC000262426072 146358959 /nfs/dbraw/zinc/35/89/59/146358959.db2.gz COBXNEHALWYEQW-OAHLLOKOSA-N 2 0 305.466 2.645 20 0 DFADRP C[C@H](CNC(=O)C1C[C@H]2CCC[C@@H](C1)C2[NH3+])[N@@H+]1CCCC[C@@H]1C ZINC000262437181 146359908 /nfs/dbraw/zinc/35/99/08/146359908.db2.gz ULSUREPAFGNAGS-VBYWAMKTSA-N 2 0 321.509 2.519 20 0 DFADRP CCCOc1ccc(OCC[N@@H+]2CC[C@H](C)[C@@H](C[NH3+])C2)cc1 ZINC000262449749 146361034 /nfs/dbraw/zinc/36/10/34/146361034.db2.gz HPIWRVWBGZTBFI-HOTGVXAUSA-N 2 0 306.450 2.771 20 0 DFADRP [NH3+][C@@H]1CC[C@H]2CN(Cc3nc(-c4ccc(Cl)cc4)no3)C[C@@H]12 ZINC000262519828 146366924 /nfs/dbraw/zinc/36/69/24/146366924.db2.gz NYAACSBVAMDZMC-IACUBPJLSA-N 2 0 318.808 2.559 20 0 DFADRP C[C@H]1CCN(Cc2cc(Cl)c3c(c2)OCCCO3)C[C@H]1C[NH3+] ZINC000262524196 146368506 /nfs/dbraw/zinc/36/85/06/146368506.db2.gz ORIKMJGWHDXHLY-GXTWGEPZSA-N 2 0 324.852 2.918 20 0 DFADRP C[NH+](C)CCc1ccc(NC(=O)[C@H]2CCCC[C@@]2(C)[NH3+])cc1 ZINC000263315498 146449102 /nfs/dbraw/zinc/44/91/02/146449102.db2.gz ZJYGFHOORANICC-SJLPKXTDSA-N 2 0 303.450 2.637 20 0 DFADRP Cc1nccn1CCC[N@@H+](C)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000494079601 543413961 /nfs/dbraw/zinc/41/39/61/543413961.db2.gz VNDWMEHADONVRA-OAHLLOKOSA-N 2 0 322.453 2.523 20 0 DFADRP COC(=O)C[C@@H]1CC[C@H]([NH2+]CC[C@H](C)[NH+]2CCCCC2)[C@H]1C ZINC000354670029 147111114 /nfs/dbraw/zinc/11/11/14/147111114.db2.gz URZLNHXLRPYFDX-QAETUUGQSA-N 2 0 310.482 2.818 20 0 DFADRP C[C@H](O)C[NH+]1CCC(C[N@H+](C)CCCCOC(C)(C)C)CC1 ZINC000354681511 147114533 /nfs/dbraw/zinc/11/45/33/147114533.db2.gz UWHZYGOETBTVBE-INIZCTEOSA-N 2 0 314.514 2.606 20 0 DFADRP C[C@H]([NH2+]CCCC[NH+](C)C)c1ccc(Br)cn1 ZINC000519259675 543426233 /nfs/dbraw/zinc/42/62/33/543426233.db2.gz LXDDQIWASHLBHB-NSHDSACASA-N 2 0 300.244 2.837 20 0 DFADRP C[C@H]([NH2+]C[C@@H]1CC[N@H+](Cc2ccccc2)C1)[C@H]1CCCOC1 ZINC000355228730 147232119 /nfs/dbraw/zinc/23/21/19/147232119.db2.gz WQNOYJZORHUGQJ-WDSOQIARSA-N 2 0 302.462 2.913 20 0 DFADRP COc1cc2c(cc1C[NH+]1CCC(CC[NH+](C)C)CC1)OCO2 ZINC000355351540 147279339 /nfs/dbraw/zinc/27/93/39/147279339.db2.gz CKJJODBVHPPJJA-UHFFFAOYSA-N 2 0 320.433 2.588 20 0 DFADRP COc1c(O)cccc1C[N@@H+]1CCC[C@@H](Cc2nccn2C)C1 ZINC000355360814 147283135 /nfs/dbraw/zinc/28/31/35/147283135.db2.gz FTJZCCWBNGUSHB-AWEZNQCLSA-N 2 0 315.417 2.589 20 0 DFADRP CCC(C)(C)[NH2+][C@H](C)C(=O)NCCC[N@H+](C)C1CCCCC1 ZINC000355411820 147305134 /nfs/dbraw/zinc/30/51/34/147305134.db2.gz KHTQEGMJHNJUQT-OAHLLOKOSA-N 2 0 311.514 2.924 20 0 DFADRP CC[NH+](CC)CCO[C@H]1CC[N@H+](CCc2ccc(C)cc2)C1 ZINC000350180723 286015840 /nfs/dbraw/zinc/01/58/40/286015840.db2.gz HILICBHDSACABT-IBGZPJMESA-N 2 0 304.478 2.970 20 0 DFADRP COCC[N@H+](C)CC[C@@H](Nc1cc[nH+]c(C)c1)c1ccccc1 ZINC000357690269 148086232 /nfs/dbraw/zinc/08/62/32/148086232.db2.gz NNEBYRCAHKUAAW-LJQANCHMSA-N 2 0 313.445 2.933 20 0 DFADRP C[C@H]([NH2+]CCc1ccc(OCC[NH+](C)C)cc1)c1nccs1 ZINC000357783312 148120623 /nfs/dbraw/zinc/12/06/23/148120623.db2.gz HNBMMJFGUFUATJ-AWEZNQCLSA-N 2 0 319.474 2.977 20 0 DFADRP C[C@@H]([NH2+]CCc1ccc(OCC[NH+](C)C)cc1)c1nccs1 ZINC000357783313 148121043 /nfs/dbraw/zinc/12/10/43/148121043.db2.gz HNBMMJFGUFUATJ-CQSZACIVSA-N 2 0 319.474 2.977 20 0 DFADRP CC[NH+](CC)CCO[C@@H]1CC[N@H+](CCOc2ccccc2F)C1 ZINC000350181950 286016545 /nfs/dbraw/zinc/01/65/45/286016545.db2.gz UYOJREVKRZASSM-MRXNPFEDSA-N 2 0 324.440 2.637 20 0 DFADRP COC[C@H](CC(C)C)[NH2+]CC1CCN(c2cc[nH+]cc2)CC1 ZINC000357840984 148145306 /nfs/dbraw/zinc/14/53/06/148145306.db2.gz OBGODWHYIQRMTF-KRWDZBQOSA-N 2 0 305.466 2.949 20 0 DFADRP CC(C)[NH+](CCCNCc1cc(C2CC[NH2+]CC2)no1)C(C)C ZINC000425892881 296603000 /nfs/dbraw/zinc/60/30/00/296603000.db2.gz AZIQUVVEUAEBGA-UHFFFAOYSA-N 2 0 322.497 2.740 20 0 DFADRP C[NH+](C)CC1CC[NH+](Cc2ccccc2OCCCCO)CC1 ZINC000637908129 543494422 /nfs/dbraw/zinc/49/44/22/543494422.db2.gz YISMVQHDNWNOMJ-UHFFFAOYSA-N 2 0 320.477 2.612 20 0 DFADRP O[C@H](C[NH2+][C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21)C(F)F ZINC000358573119 148389519 /nfs/dbraw/zinc/38/95/19/148389519.db2.gz QSQPFBMBAVODFK-YLFCFFPRSA-N 2 0 324.415 2.503 20 0 DFADRP C[C@H]1CCCC[N@@H+]1CCC1CC[NH+](C[C@@]2(O)CCCOC2)CC1 ZINC000660006762 543524106 /nfs/dbraw/zinc/52/41/06/543524106.db2.gz UGGKCUXQUBJNSC-HKUYNNGSSA-N 2 0 324.509 2.504 20 0 DFADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1N[C@H]1CC[NH+]2CCC[C@@H]2C1 ZINC000361030791 149012443 /nfs/dbraw/zinc/01/24/43/149012443.db2.gz LQORDIONKPNZNO-MDNKFWRPSA-N 2 0 313.489 2.723 20 0 DFADRP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@@H+]2CCCc1ccsc1 ZINC000361084883 149025807 /nfs/dbraw/zinc/02/58/07/149025807.db2.gz BVTBYMQHJVOYSS-ZACQAIPSSA-N 2 0 308.491 2.864 20 0 DFADRP CCO[C@@H]1C[C@H]([NH2+]C2CC[NH+]([C@@H]3CCC[C@@H](C)C3)CC2)[C@H]1OC ZINC000361157435 149042001 /nfs/dbraw/zinc/04/20/01/149042001.db2.gz WNIMDHOBKCYUEV-IQZDNPOKSA-N 2 0 324.509 2.812 20 0 DFADRP Cc1c([C@H](C)[NH2+]CC2CC[NH+](C)CC2)nnn1-c1ccccc1 ZINC000361175611 149047784 /nfs/dbraw/zinc/04/77/84/149047784.db2.gz QJLGXLVRJVBZFN-AWEZNQCLSA-N 2 0 313.449 2.568 20 0 DFADRP C[C@@H]1C[C@@H](NCC[NH+]2CCCC2)CC[N@@H+]1Cc1ccccc1 ZINC000361345144 149091839 /nfs/dbraw/zinc/09/18/39/149091839.db2.gz YCOYGDSWPOQKAV-MJGOQNOKSA-N 2 0 301.478 2.725 20 0 DFADRP C[C@H]([NH2+]C[C@]1(C)CCOC1)c1ccc(OCC[NH+](C)C)cc1 ZINC000361387223 149102620 /nfs/dbraw/zinc/10/26/20/149102620.db2.gz USIGQLNVMIJXEM-YJBOKZPZSA-N 2 0 306.450 2.704 20 0 DFADRP C[C@H]([NH2+]C[C@@]1(C)CCOC1)c1cccc(OCC[NH+](C)C)c1 ZINC000361396335 149104685 /nfs/dbraw/zinc/10/46/85/149104685.db2.gz GARVOLPQDOZFRC-MAUKXSAKSA-N 2 0 306.450 2.704 20 0 DFADRP C[C@H]([NH3+])c1ccc(CNC(=O)CC2(C[NH3+])CCCCC2)cc1 ZINC000361622131 149171176 /nfs/dbraw/zinc/17/11/76/149171176.db2.gz OPOZQCOTFABWPA-AWEZNQCLSA-N 2 0 303.450 2.622 20 0 DFADRP [NH2+]=C(NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1)N1CCCCC1 ZINC000361803944 149224256 /nfs/dbraw/zinc/22/42/56/149224256.db2.gz NBQNXNLXZOUKFP-SFHVURJKSA-N 2 0 314.477 2.909 20 0 DFADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]C[C@@H](OC)C(C)(C)C)[C@@H](C)C1 ZINC000361812496 149226624 /nfs/dbraw/zinc/22/66/24/149226624.db2.gz MJWCZJPURHPCHF-YESZJQIVSA-N 2 0 314.514 2.774 20 0 DFADRP CC[C@H](C[C@H](C)CO)[NH2+][C@H]1CN(Cc2ccccc2)C[C@@H]1C ZINC000361813881 149226703 /nfs/dbraw/zinc/22/67/03/149226703.db2.gz PPPJVMVPKUZGHS-DKKFBQAASA-N 2 0 304.478 2.894 20 0 DFADRP Cc1nc(C(C)C)sc1[C@H](C)[NH2+]CC1(O)CC[NH+](C)CC1 ZINC000361889550 149248294 /nfs/dbraw/zinc/24/82/94/149248294.db2.gz BEQMBXOZISHBIG-LBPRGKRZSA-N 2 0 311.495 2.682 20 0 DFADRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H]2C[C@@H](OC)C2(C)C)[C@@H](C)C1 ZINC000361928916 149257941 /nfs/dbraw/zinc/25/79/41/149257941.db2.gz XRKCPFWHNOAWFM-MWDXBVQZSA-N 2 0 312.498 2.527 20 0 DFADRP C[NH+](C)[C@H]1CCC[C@@H]([NH2+]C2CCN(Cc3ccccn3)CC2)C1 ZINC000361966632 149266967 /nfs/dbraw/zinc/26/69/67/149266967.db2.gz NPNMYKKNFXNQRL-MJGOQNOKSA-N 2 0 316.493 2.508 20 0 DFADRP C[NH+](C)[C@H](CNC(=O)CC[C@@H]1CCCC[N@@H+]1C)c1ccsc1 ZINC000351250574 286117829 /nfs/dbraw/zinc/11/78/29/286117829.db2.gz JRNOZVXMLFZTAJ-JKSUJKDBSA-N 2 0 323.506 2.732 20 0 DFADRP COc1ccc(-c2cnc(CN3C[C@@H]4CC[C@H]([NH3+])[C@H]4C3)o2)cc1 ZINC000351494129 286135113 /nfs/dbraw/zinc/13/51/13/286135113.db2.gz NLQSHABKRDFJLR-BPUTZDHNSA-N 2 0 313.401 2.519 20 0 DFADRP C[C@@H]([NH2+][C@H]1CCN(C2CC[NH+](C)CC2)C1)c1ccc(F)c(F)c1 ZINC000369880446 149852608 /nfs/dbraw/zinc/85/26/08/149852608.db2.gz AWPWHURNWNBNOQ-HIFRSBDPSA-N 2 0 323.431 2.784 20 0 DFADRP C[C@@H]([NH2+][C@H]1CCN(C2CC[NH+](C)CC2)C1)c1ccccc1F ZINC000370623712 149957859 /nfs/dbraw/zinc/95/78/59/149957859.db2.gz BGZRYQSUCLFLMV-CABCVRRESA-N 2 0 305.441 2.645 20 0 DFADRP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@@H+]2CCSc1ccccc1 ZINC000371292454 150016571 /nfs/dbraw/zinc/01/65/71/150016571.db2.gz CAWJPZGEXNDNQI-NJAFHUGGSA-N 2 0 320.502 2.962 20 0 DFADRP Cc1cccc(C[N@H+]2CC[C@@H](N3CC[NH+](C(C)C)CC3)C2)c1C ZINC000371338220 150026824 /nfs/dbraw/zinc/02/68/24/150026824.db2.gz ZNDGRYVQQNZQJO-HXUWFJFHSA-N 2 0 315.505 2.904 20 0 DFADRP Cn1cc(-c2ccccc2C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)cn1 ZINC000371429399 150045392 /nfs/dbraw/zinc/04/53/92/150045392.db2.gz DBQRXGDJDJPVAJ-ZWKOTPCHSA-N 2 0 310.445 2.804 20 0 DFADRP CCO[C@H]1C[C@H]([NH2+]CCc2cn3c(n2)CCCC3)C12CCC2 ZINC000371506620 150058052 /nfs/dbraw/zinc/05/80/52/150058052.db2.gz TVJUUGDSQPVNDN-HOTGVXAUSA-N 2 0 303.450 2.699 20 0 DFADRP C[C@H](C(=O)N1[C@H](C)CCC[C@@H]1C)N1CCC2(CCC[N@@H+]2C)CC1 ZINC000371689006 150081536 /nfs/dbraw/zinc/08/15/36/150081536.db2.gz LVTGTEFPECCYDL-IXDOHACOSA-N 2 0 321.509 2.725 20 0 DFADRP C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@H]1[NH2+]C[C@@]1(C)CCCS1 ZINC000372061006 150130883 /nfs/dbraw/zinc/13/08/83/150130883.db2.gz YQIUZQPPAAWUFD-YYIAUSFCSA-N 2 0 312.523 2.751 20 0 DFADRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+][C@@H]1C[C@H](c2ccccc2)[C@H]1C ZINC000372107736 150138095 /nfs/dbraw/zinc/13/80/95/150138095.db2.gz HZMKLQDKBDNQCF-IZBJGVDFSA-N 2 0 315.505 2.794 20 0 DFADRP C[C@H]([NH2+]CCc1cnccn1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000372355319 150166581 /nfs/dbraw/zinc/16/65/81/150166581.db2.gz LOTQDJORXWGBDV-WMZOPIPTSA-N 2 0 310.445 2.519 20 0 DFADRP CSC[C@H](O)C[N@@H+]1CCC[C@@H]([NH+](C)Cc2ccccc2)CC1 ZINC000372922627 150202910 /nfs/dbraw/zinc/20/29/10/150202910.db2.gz IZPBODNYYUMFEB-QZTJIDSGSA-N 2 0 322.518 2.697 20 0 DFADRP CCCCCNC(=O)C1CC[NH+](CC[C@H]2CCCC[N@@H+]2C)CC1 ZINC000351615448 286170689 /nfs/dbraw/zinc/17/06/89/286170689.db2.gz MWQAKMQULQFNGY-GOSISDBHSA-N 2 0 323.525 2.879 20 0 DFADRP c1cncc([C@@H]2CCC[C@H]([NH2+]CCCC[NH+]3CCOCC3)C2)c1 ZINC000374304378 150341099 /nfs/dbraw/zinc/34/10/99/150341099.db2.gz YKMROYQMOGLSLH-MJGOQNOKSA-N 2 0 317.477 2.810 20 0 DFADRP C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)C1(C[NH+](C)C)CCCCC1 ZINC000426928517 296644330 /nfs/dbraw/zinc/64/43/30/296644330.db2.gz IWPVXDKARYRQHN-MRXNPFEDSA-N 2 0 323.525 2.687 20 0 DFADRP CCC[C@H]([NH2+]C(C)C)C(=O)N[C@@H](C)C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000352179577 286312983 /nfs/dbraw/zinc/31/29/83/286312983.db2.gz ZHSIZQOGNRXTOJ-YVSFHVDLSA-N 2 0 311.514 2.636 20 0 DFADRP CCC[C@H]([NH2+]C(C)C)C(=O)N(CC[NH+](C)C)Cc1ccccc1 ZINC000352191468 286315701 /nfs/dbraw/zinc/31/57/01/286315701.db2.gz VHMBKLINIPYHSY-SFHVURJKSA-N 2 0 319.493 2.744 20 0 DFADRP COc1ccc([C@H]2CCC[N@@H+]2C[C@]2(C)CC[NH2+]C2)cc1OC ZINC000261893620 286378258 /nfs/dbraw/zinc/37/82/58/286378258.db2.gz UMNQNOBUWZBHCC-CRAIPNDOSA-N 2 0 304.434 2.840 20 0 DFADRP CCO[C@@H]1C[C@H]([NH2+]C2CC[NH+](CC(C)C)CC2)[C@@H]1SC ZINC000362307351 286382676 /nfs/dbraw/zinc/38/26/76/286382676.db2.gz YUEXNAZHVJKPHS-XHSDSOJGSA-N 2 0 300.512 2.605 20 0 DFADRP CN(C(=O)C[N@H+](CCC[NH3+])CC1CCCC1)C1CCCCC1 ZINC000352487771 286386253 /nfs/dbraw/zinc/38/62/53/286386253.db2.gz IVRKCXNARGIFRO-UHFFFAOYSA-N 2 0 309.498 2.619 20 0 DFADRP COc1ccccc1OCC[N@H+](CCC[NH3+])CC1CCCC1 ZINC000352503623 286391030 /nfs/dbraw/zinc/39/10/30/286391030.db2.gz IHBVQLKSEHAHSD-UHFFFAOYSA-N 2 0 306.450 2.915 20 0 DFADRP CC(C)[C@@H](CSc1ccccc1)[NH2+]CC1(O)CC[NH+](C)CC1 ZINC000352788220 286468261 /nfs/dbraw/zinc/46/82/61/286468261.db2.gz JNSUVFLZOZLYGY-QGZVFWFLSA-N 2 0 322.518 2.850 20 0 DFADRP CC[C@H](C[NH2+]Cc1ccccc1N(C)C1CC[NH+](C)CC1)OC ZINC000353077205 286545547 /nfs/dbraw/zinc/54/55/47/286545547.db2.gz DTENEAAGQDZDHK-GOSISDBHSA-N 2 0 319.493 2.732 20 0 DFADRP CSC1(C[NH2+]C[C@H](C)CC2CCOCC2)CC[NH+](C)CC1 ZINC000353215502 286581352 /nfs/dbraw/zinc/58/13/52/286581352.db2.gz FFQVYKUPPBVZQQ-OAHLLOKOSA-N 2 0 314.539 2.856 20 0 DFADRP CSC1(C[NH2+][C@H]2CCc3ccccc3C2)CC[NH+](C)CC1 ZINC000353217541 286581813 /nfs/dbraw/zinc/58/18/13/286581813.db2.gz HZQBNGZJNWRWAN-KRWDZBQOSA-N 2 0 304.503 2.961 20 0 DFADRP C[C@@H]([NH2+]C[C@H](O)C[NH+]1CCCCC1)C1CCC(F)(F)CC1 ZINC000353240111 286588230 /nfs/dbraw/zinc/58/82/30/286588230.db2.gz YBUAXFPXCXFXOD-HIFRSBDPSA-N 2 0 304.425 2.637 20 0 DFADRP Cc1ccccc1-n1nccc1C[NH+]1CCC(C[NH+](C)C)CC1 ZINC000353445948 286646998 /nfs/dbraw/zinc/64/69/98/286646998.db2.gz DPHGQYTXXYMJSF-UHFFFAOYSA-N 2 0 312.461 2.954 20 0 DFADRP CCOC(=O)c1coc(C[NH+]2CCC(CC[NH+](C)C)CC2)c1 ZINC000353460940 286653016 /nfs/dbraw/zinc/65/30/16/286653016.db2.gz RDLXGTXWWOYCEK-UHFFFAOYSA-N 2 0 308.422 2.620 20 0 DFADRP CC(C)Cn1cc(CN2CCC[C@@H]([NH+]3CCCC3)CC2)cn1 ZINC000183344437 158016228 /nfs/dbraw/zinc/01/62/28/158016228.db2.gz PURNWODZGKUCLV-GOSISDBHSA-N 2 0 304.482 2.989 20 0 DFADRP [NH3+]CC1(CC(=O)N[C@H]2CC[N@H+](CC3CCCC3)C2)CCCCC1 ZINC000184239536 158030457 /nfs/dbraw/zinc/03/04/57/158030457.db2.gz JTDPNFVURPJNSZ-KRWDZBQOSA-N 2 0 321.509 2.666 20 0 DFADRP CCCNC(=O)[C@@H](C)[NH+]1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000245951498 158082309 /nfs/dbraw/zinc/08/23/09/158082309.db2.gz BDNWULBNMGSZNC-IAGOWNOFSA-N 2 0 323.525 2.878 20 0 DFADRP COc1ccc(COCC[NH2+][C@@H]2C[C@@H](C)[N@H+](C)C[C@@H]2C)cc1 ZINC000246363675 158088823 /nfs/dbraw/zinc/08/88/23/158088823.db2.gz XQJSLOFJDCDBOI-HDMKZQKVSA-N 2 0 306.450 2.530 20 0 DFADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1N[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000246460418 158092376 /nfs/dbraw/zinc/09/23/76/158092376.db2.gz YVZJAPUXWUBQST-NEPXVJNWSA-N 2 0 301.478 2.579 20 0 DFADRP CCOc1ccc(OCC[N@H+](C)[C@@H]2CCN(C)[C@@H](C)C2)cc1 ZINC000246978974 158111145 /nfs/dbraw/zinc/11/11/45/158111145.db2.gz SGNAVPHLYMNUOK-JKSUJKDBSA-N 2 0 306.450 2.879 20 0 DFADRP CC[N@@H+]1CC[C@H](C[NH2+][C@H](C)c2ccc(OCCOC)cc2)C1 ZINC000247060577 158116188 /nfs/dbraw/zinc/11/61/88/158116188.db2.gz NTSFWCVSBZYTRF-HZPDHXFCSA-N 2 0 306.450 2.704 20 0 DFADRP CCC[NH+](CCC)CCCC(=O)N1C[C@@H]2CCC[N@@H+]2C[C@H]1C ZINC000247503282 158140336 /nfs/dbraw/zinc/14/03/36/158140336.db2.gz VFOJMGDSNIQSSY-SJORKVTESA-N 2 0 309.498 2.584 20 0 DFADRP CC[N@@H+]1CC[C@@H]([NH2+]CCCn2cnc3ccccc32)[C@@H](C)C1 ZINC000247885233 158152265 /nfs/dbraw/zinc/15/22/65/158152265.db2.gz CVWASGWDYBWCLM-JKSUJKDBSA-N 2 0 300.450 2.746 20 0 DFADRP CCOc1ccc(OCC[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)cc1 ZINC000248122493 158161739 /nfs/dbraw/zinc/16/17/39/158161739.db2.gz NNVNLOFZJCVVNO-LPHOPBHVSA-N 2 0 318.461 2.880 20 0 DFADRP C[C@@H](C[NH2+][C@H](C)c1ccc(OCC[NH+](C)C)cc1)C[C@H](C)O ZINC000248145993 158162157 /nfs/dbraw/zinc/16/21/57/158162157.db2.gz QEABYMIPAOKDKQ-OWCLPIDISA-N 2 0 308.466 2.685 20 0 DFADRP COc1ccc(OCCC[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)cc1 ZINC000248149434 158162807 /nfs/dbraw/zinc/16/28/07/158162807.db2.gz QOOKXQYMRZFHIO-VQIMIIECSA-N 2 0 318.461 2.880 20 0 DFADRP COc1ccc([C@@H](C)[NH2+]CCCC[N@@H+]2CCC[C@H]2CO)cc1F ZINC000248179766 158164288 /nfs/dbraw/zinc/16/42/88/158164288.db2.gz WFFJSULRNCERRF-ZBFHGGJFSA-N 2 0 324.440 2.722 20 0 DFADRP CC[C@](C)(O)C[NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]12 ZINC000248417951 158174114 /nfs/dbraw/zinc/17/41/14/158174114.db2.gz RTVHIXHQPCSCDJ-MKXGPGLRSA-N 2 0 302.462 2.648 20 0 DFADRP OCC1(C[NH2+][C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]23)CCC1 ZINC000248446496 158177327 /nfs/dbraw/zinc/17/73/27/158177327.db2.gz COZZQGNWKIMAEB-GUDVDZBRSA-N 2 0 314.473 2.649 20 0 DFADRP C[C@H](O)[C@@](C)(C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C)Cc1ccccc1 ZINC000248755883 158200759 /nfs/dbraw/zinc/20/07/59/158200759.db2.gz CQPBSZMDDBEHBO-QFMLELGNSA-N 2 0 316.489 2.831 20 0 DFADRP CC[N@@H+]1CCCC[C@@H]1C(=O)NCC[NH+]1CC=C(C(C)(C)C)CC1 ZINC000354919009 158244975 /nfs/dbraw/zinc/24/49/75/158244975.db2.gz WCLLHEGCAACJGI-QGZVFWFLSA-N 2 0 321.509 2.655 20 0 DFADRP COC(=O)C[C@@H]1CC[C@H]([NH2+]CC(C)(C)C[NH+]2CCCC2)[C@@H]1C ZINC000355143231 158283973 /nfs/dbraw/zinc/28/39/73/158283973.db2.gz ZRPLVVKIIPQDKK-PMPSAXMXSA-N 2 0 310.482 2.676 20 0 DFADRP C[NH+](C)CC(C)(C)C[NH2+]C1CCN(CCC(F)(F)F)CC1 ZINC000356862453 158316385 /nfs/dbraw/zinc/31/63/85/158316385.db2.gz ZSUKLSCMZSIJQD-UHFFFAOYSA-N 2 0 309.420 2.581 20 0 DFADRP C[NH+](C)CCc1ccccc1NC(=O)CC[C@H]1CCCC[N@@H+]1C ZINC000356893400 158318807 /nfs/dbraw/zinc/31/88/07/158318807.db2.gz PLGJFYDISWBDSF-QGZVFWFLSA-N 2 0 317.477 2.994 20 0 DFADRP CC[C@H]1C[C@H](C[NH+]2CCC(CC[NH+]3CCOCC3)CC2)CCO1 ZINC000356968602 158334774 /nfs/dbraw/zinc/33/47/74/158334774.db2.gz QFHHXTUMVAYONR-MOPGFXCFSA-N 2 0 324.509 2.626 20 0 DFADRP Cn1ccnc1[C@H]([NH2+]CCCC[NH+](C)C)c1cccc(F)c1 ZINC000357040939 158354936 /nfs/dbraw/zinc/35/49/36/158354936.db2.gz PHKVDIVYRMCWHW-MRXNPFEDSA-N 2 0 304.413 2.580 20 0 DFADRP c1csc(-c2ncc(CN3CC[C@H]4C[NH2+]C[C@H]4C3)s2)c1 ZINC000357053629 158356812 /nfs/dbraw/zinc/35/68/12/158356812.db2.gz PKRHSOCJZPTBEP-RYUDHWBXSA-N 2 0 305.472 2.913 20 0 DFADRP COc1cccc(C[NH+]2CCC([C@@H]3CC[NH2+]C3)CC2)c1OC ZINC000357059215 158358246 /nfs/dbraw/zinc/35/82/46/158358246.db2.gz WOKQFQVTSSZSFE-OAHLLOKOSA-N 2 0 304.434 2.525 20 0 DFADRP c1cn(-c2ccccc2)nc1C[NH+]1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000357059365 158359411 /nfs/dbraw/zinc/35/94/11/158359411.db2.gz WZCUWLIKVRICGG-QGZVFWFLSA-N 2 0 310.445 2.694 20 0 DFADRP COc1ccc(OCCC[N@@H+]2CCC3(C2)CC[NH2+]CC3)cc1 ZINC000358505564 158383507 /nfs/dbraw/zinc/38/35/07/158383507.db2.gz KCZJNLLPUIMVTA-UHFFFAOYSA-N 2 0 304.434 2.540 20 0 DFADRP CC[NH2+]CC1CC[NH+]([C@H](C)C(=O)Nc2cc(C)ccc2C)CC1 ZINC000430555137 296794673 /nfs/dbraw/zinc/79/46/73/296794673.db2.gz RWBBSWLKNGLORL-MRXNPFEDSA-N 2 0 317.477 2.952 20 0 DFADRP CC[C@@H](C)[C@H]([NH3+])C(=O)NC[C@@H](c1ccccc1)[NH+](CC)CC ZINC000236941312 286805130 /nfs/dbraw/zinc/80/51/30/286805130.db2.gz BDWUREOBVUQZRN-PVAVHDDUSA-N 2 0 305.466 2.559 20 0 DFADRP COc1cc(C[NH+]2CCC3(CC[NH2+]C3)CC2)ccc1SC ZINC000430913405 296811447 /nfs/dbraw/zinc/81/14/47/296811447.db2.gz UVCJTQWYBSWNHP-UHFFFAOYSA-N 2 0 306.475 2.993 20 0 DFADRP CC(C)CNC(=O)c1cccc(C[NH+]2CCC([C@H](C)[NH3+])CC2)c1 ZINC000430926481 296812292 /nfs/dbraw/zinc/81/22/92/296812292.db2.gz GRQGAJZZVKFLQT-HNNXBMFYSA-N 2 0 317.477 2.632 20 0 DFADRP C[NH2+]CC1CC[NH+]([C@@H](C)C(=O)Nc2c(C)cccc2C)CC1 ZINC000430931762 296813256 /nfs/dbraw/zinc/81/32/56/296813256.db2.gz DLXGFMGEASPIIX-HNNXBMFYSA-N 2 0 303.450 2.562 20 0 DFADRP O=C(CC[NH+]1CCC2(CC[NH2+]C2)CC1)Nc1cccc(Cl)c1 ZINC000431037661 296819003 /nfs/dbraw/zinc/81/90/03/296819003.db2.gz LKNHBELZARBQSC-UHFFFAOYSA-N 2 0 321.852 2.744 20 0 DFADRP C[C@H](C[NH2+][C@H]1CCO[C@H](C(F)(F)F)C1)C[NH+]1CCCCC1 ZINC000315598345 298792906 /nfs/dbraw/zinc/79/29/06/298792906.db2.gz PEKSFNXCSRAJLK-RDBSUJKOSA-N 2 0 308.388 2.808 20 0 DFADRP CC[NH+](CC)Cc1ccc(CNC(=O)[C@]2(CC)CCC[NH2+]2)cc1 ZINC000128995320 196010643 /nfs/dbraw/zinc/01/06/43/196010643.db2.gz XCMQTEBNIXFRRH-IBGZPJMESA-N 2 0 317.477 2.677 20 0 DFADRP COc1ccc(O[C@H](C)C[NH2+][C@H]2C[C@@H](C)[N@H+](C)C[C@H]2C)cc1 ZINC000129016078 196012335 /nfs/dbraw/zinc/01/23/35/196012335.db2.gz UPTUBLZILRVHAD-ADAWSYLGSA-N 2 0 306.450 2.781 20 0 DFADRP COc1ccccc1O[C@H](C)C[NH2+][C@@H]1C[C@H](C)[N@H+](C)C[C@H]1C ZINC000129584580 196059454 /nfs/dbraw/zinc/05/94/54/196059454.db2.gz FYIPUUHHMYPZEL-QKPAOTATSA-N 2 0 306.450 2.781 20 0 DFADRP C[C@@H](C[NH2+][C@@H]1CC[C@H](c2ccccc2)C1)N1CC[NH+](C)CC1 ZINC000131228603 196151273 /nfs/dbraw/zinc/15/12/73/196151273.db2.gz PNXQLCSZYCJZTA-YTQUADARSA-N 2 0 301.478 2.548 20 0 DFADRP COc1ccc(C[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@H+]3C)cc1OC ZINC000131829781 196202489 /nfs/dbraw/zinc/20/24/89/196202489.db2.gz NBQOWEQAPIBCSY-MQVJKMGUSA-N 2 0 304.434 2.809 20 0 DFADRP CC(C)[C@@H](C[NH2+][C@H](C)c1cccc(F)c1)N1CC[NH+](C)CC1 ZINC000132342292 196247034 /nfs/dbraw/zinc/24/70/34/196247034.db2.gz NGJBSTCOZRVQPP-CRAIPNDOSA-N 2 0 307.457 2.748 20 0 DFADRP CC(C)[C@H](C[NH2+][C@H]1CCc2ccccc21)N1CC[NH+](C)CC1 ZINC000132329482 196246221 /nfs/dbraw/zinc/24/62/21/196246221.db2.gz ZJEIHSNIVKULHL-OALUTQOASA-N 2 0 301.478 2.536 20 0 DFADRP CCCc1cc(NC[C@@](C)(O)C[NH+](C)C)c2ccccc2[nH+]1 ZINC000133008909 196304549 /nfs/dbraw/zinc/30/45/49/196304549.db2.gz URGLDZFGKBABAU-GOSISDBHSA-N 2 0 301.434 2.912 20 0 DFADRP Cc1cc(F)ccc1C[NH+]1CCC(C[NH+]2CCOCC2)CC1 ZINC000134107649 196361673 /nfs/dbraw/zinc/36/16/73/196361673.db2.gz REQWNQVYPNYFIB-UHFFFAOYSA-N 2 0 306.425 2.678 20 0 DFADRP C[C@@H]1CCCC[C@H]1C[N@@H+]1CCN(C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000368051550 287307515 /nfs/dbraw/zinc/30/75/15/287307515.db2.gz NPRUBKIBVFYDCJ-KURKYZTESA-N 2 0 307.526 2.913 20 0 DFADRP CN(CCC[NH+]1CCCC1)C(=O)C[C@@H](c1ccccc1)[NH+](C)C ZINC000667999493 543720981 /nfs/dbraw/zinc/72/09/81/543720981.db2.gz DWIMGPFFMLYKFW-SFHVURJKSA-N 2 0 317.477 2.624 20 0 DFADRP C[C@@H]1CC[N@H+](Cc2ccc(OCC[NH+](C)C)cc2)C[C@H](C)O1 ZINC000668624804 543838623 /nfs/dbraw/zinc/83/86/23/543838623.db2.gz BLFBGDKUFOHXFV-CVEARBPZSA-N 2 0 306.450 2.626 20 0 DFADRP C[C@H](CCCO)C[NH2+][C@H](C)c1cccc(OCC[NH+](C)C)c1 ZINC000296589199 226023274 /nfs/dbraw/zinc/02/32/74/226023274.db2.gz UWGOHVGTNDQFDR-HZPDHXFCSA-N 2 0 308.466 2.686 20 0 DFADRP CCC[C@H]([NH2+][C@H]1CCN(C2CC[NH+](C)CC2)C1)[C@H]1CC1(C)C ZINC000669418981 543943859 /nfs/dbraw/zinc/94/38/59/543943859.db2.gz PNAUDHHMXYSPFB-JQHSSLGASA-N 2 0 307.526 2.959 20 0 DFADRP c1cc(N2CC[NH+](C[C@H]3CCC4(CCCC4)O3)CC2)cc[nH+]1 ZINC000669930964 544008977 /nfs/dbraw/zinc/00/89/77/544008977.db2.gz IOIJEHUREKONQL-QGZVFWFLSA-N 2 0 301.434 2.695 20 0 DFADRP Cn1nccc1CC[NH+]1CCC(C[NH+]2CCCCCC2)CC1 ZINC000670072513 544018699 /nfs/dbraw/zinc/01/86/99/544018699.db2.gz VCSKCSIMGYXTRN-UHFFFAOYSA-N 2 0 304.482 2.551 20 0 DFADRP C[N@@H+]1CC[C@H]([NH2+]C[C@@H]2OCCc3ccccc32)[C@@H]2CCC[C@@H]21 ZINC000671751999 544106265 /nfs/dbraw/zinc/10/62/65/544106265.db2.gz KAYDXVMETPQGPE-VJANTYMQSA-N 2 0 300.446 2.763 20 0 DFADRP C[C@@H]([NH2+]C[C@H](CO)c1ccc(Cl)cc1)C1CC[NH+](C)CC1 ZINC000672620456 544143714 /nfs/dbraw/zinc/14/37/14/544143714.db2.gz NDWXQYBELWKIKS-CZUORRHYSA-N 2 0 310.869 2.736 20 0 DFADRP CC[C@@H]1C[N@@H+]2CCCC[C@@H]2CN1C(=O)CC[C@H]1CCCC[NH+]1C ZINC000672987680 544163560 /nfs/dbraw/zinc/16/35/60/544163560.db2.gz GZUIGWWYIRJQPV-KZNAEPCWSA-N 2 0 321.509 2.726 20 0 DFADRP C[NH+](C)[C@H](CNC(=O)[C@H]1CCCC[N@@H+]1C)c1ccc(Cl)cc1 ZINC000673749908 544195914 /nfs/dbraw/zinc/19/59/14/544195914.db2.gz QZWNSKZQUGKYJV-HZPDHXFCSA-N 2 0 323.868 2.543 20 0 DFADRP CC[C@@H](O)C[N@@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000291415430 222375752 /nfs/dbraw/zinc/37/57/52/222375752.db2.gz HCBOPLOSEAVGCB-GOSISDBHSA-N 2 0 302.462 2.745 20 0 DFADRP CC[NH+](CC)Cc1ccc(C(=O)N[C@H](C)C(C)(C)C[NH+](C)C)o1 ZINC000673937375 544209201 /nfs/dbraw/zinc/20/92/01/544209201.db2.gz RCBDRQPEIFQTPA-CQSZACIVSA-N 2 0 323.481 2.828 20 0 DFADRP C[C@H]1CN(Cc2ccccc2)CCC[N@@H+]1CC1CC[NH2+]CC1 ZINC000297451767 227181902 /nfs/dbraw/zinc/18/19/02/227181902.db2.gz QGZZSYVLVSQHJM-KRWDZBQOSA-N 2 0 301.478 2.582 20 0 DFADRP CC[NH+](CC)[C@@H](C(=O)N[C@H]1C[N@H+](CC)C[C@@H]1C)c1ccccc1 ZINC000674844387 544268955 /nfs/dbraw/zinc/26/89/55/544268955.db2.gz MYNJVEXZWCDRIO-RYQLBKOJSA-N 2 0 317.477 2.526 20 0 DFADRP Cc1cccnc1CCC[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000297532743 227268114 /nfs/dbraw/zinc/26/81/14/227268114.db2.gz XXLWTHZZRPSABR-UHFFFAOYSA-N 2 0 310.445 2.976 20 0 DFADRP CO[C@H]1C[C@@H]([NH2+]Cc2ccc(OCC[NH+](C)C)cc2)C1(C)C ZINC000674677504 544250536 /nfs/dbraw/zinc/25/05/36/544250536.db2.gz JIZRZDFKAVGDQX-SJORKVTESA-N 2 0 306.450 2.530 20 0 DFADRP C[N@@H+]1CCCC[C@@H]1CC[NH+]1C[C@H]2CN(c3ccccc3)C[C@H]2C1 ZINC000675491111 544315874 /nfs/dbraw/zinc/31/58/74/544315874.db2.gz PEKDKQMKPCITOE-CEXWTWQISA-N 2 0 313.489 2.929 20 0 DFADRP COc1cccc(CC[NH2+][C@H](C)C2CC[NH+](C)CC2)c1OC ZINC000675753829 544334000 /nfs/dbraw/zinc/33/40/00/544334000.db2.gz DFOMVIFFCURVSO-CQSZACIVSA-N 2 0 306.450 2.566 20 0 DFADRP COCCOc1ccccc1C[NH2+][C@@H](C)C1CC[NH+](C)CC1 ZINC000675762973 544334657 /nfs/dbraw/zinc/33/46/57/544334657.db2.gz BVPOYJGWBGMUAE-HNNXBMFYSA-N 2 0 306.450 2.532 20 0 DFADRP O[C@H](C[NH2+][C@@H](CC1CC1)c1ccccc1)C[NH+]1CCCCC1 ZINC000675768307 544334971 /nfs/dbraw/zinc/33/49/71/544334971.db2.gz ZZNHEYYMMZKJSG-MOPGFXCFSA-N 2 0 302.462 2.964 20 0 DFADRP CC[C@@H](Cc1cccs1)[NH2+]CCCN1CCC[N@H+](C)CC1 ZINC000675821683 544338867 /nfs/dbraw/zinc/33/88/67/544338867.db2.gz LOPANYMUHPKYID-INIZCTEOSA-N 2 0 309.523 2.686 20 0 DFADRP CC(=O)N1CC[C@@H]([NH2+]C2CC[NH+](C3CCCCC3)CC2)[C@@H](C)C1 ZINC000675916224 544344208 /nfs/dbraw/zinc/34/42/08/544344208.db2.gz YOYALDMTSBPXIP-HNAYVOBHSA-N 2 0 321.509 2.630 20 0 DFADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]C[C@@H](C)c2ccncc2)[C@@H](C)C1 ZINC000675926270 544344899 /nfs/dbraw/zinc/34/48/99/544344899.db2.gz APAMHFOELKMEBE-AOIWGVFYSA-N 2 0 319.493 2.912 20 0 DFADRP Cc1nccn1CC[NH+]1CCC(C[NH+]2CCCCCC2)CC1 ZINC000677981223 544575494 /nfs/dbraw/zinc/57/54/94/544575494.db2.gz YCRNERYCGMTJKY-UHFFFAOYSA-N 2 0 304.482 2.780 20 0 DFADRP CC[N@@H+]1CCC[C@H]1CN(C)Cc1ccc(OCC[NH+](C)C)cc1 ZINC000678259143 544634609 /nfs/dbraw/zinc/63/46/09/544634609.db2.gz CYCIDSPWGCPQQV-SFHVURJKSA-N 2 0 319.493 2.543 20 0 DFADRP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)Cc2cscc2Cl)CC1 ZINC000678248185 544630452 /nfs/dbraw/zinc/63/04/52/544630452.db2.gz TYKFNAGKSHGMTE-GFCCVEGCSA-N 2 0 316.898 2.926 20 0 DFADRP CSc1ccc(NC(=O)[C@H](C)[N@@H+]2CCC[C@@H](CC[NH3+])C2)cc1 ZINC000443057647 297214080 /nfs/dbraw/zinc/21/40/80/297214080.db2.gz HNWRXCXWDZDKHT-KBPBESRZSA-N 2 0 321.490 2.796 20 0 DFADRP Cc1ccc([C@H](C)[NH2+]CC2CC[NH+](CCN(C)C)CC2)c(C)n1 ZINC000678424126 544671246 /nfs/dbraw/zinc/67/12/46/544671246.db2.gz NVIDAHASRLLYJU-INIZCTEOSA-N 2 0 318.509 2.623 20 0 DFADRP Cc1ccc([C@H](C)[NH2+][C@@H]2CCN(C3CC[NH+](C)CC3)C2)c(C)n1 ZINC000678428288 544672223 /nfs/dbraw/zinc/67/22/23/544672223.db2.gz PHZQJYCDSKKVJI-DLBZAZTESA-N 2 0 316.493 2.518 20 0 DFADRP Cc1cc(C[NH2+][C@@H](C)c2cccc(OCC[NH+](C)C)c2)ncn1 ZINC000678604466 544701527 /nfs/dbraw/zinc/70/15/27/544701527.db2.gz GFIRSEQTFHGCOY-HNNXBMFYSA-N 2 0 314.433 2.576 20 0 DFADRP CC(C)[NH+]1CCC(O)(C[NH2+]CC(C)(C)c2ccccc2)CC1 ZINC000678729967 544713380 /nfs/dbraw/zinc/71/33/80/544713380.db2.gz GDEFXPWWNPWKIV-UHFFFAOYSA-N 2 0 304.478 2.789 20 0 DFADRP C[C@@H]1CCc2ccccc2[C@H]1[NH2+]C[C@@H](O)C[NH+]1CCCCC1 ZINC000678767390 544717714 /nfs/dbraw/zinc/71/77/14/544717714.db2.gz IKVFNNPTGMAQSU-SUMDDJOVSA-N 2 0 302.462 2.746 20 0 DFADRP C[C@@H]1CCc2ccccc2[C@H]1[NH2+]C[C@H](O)C[NH+]1CCCCC1 ZINC000678767388 544718153 /nfs/dbraw/zinc/71/81/53/544718153.db2.gz IKVFNNPTGMAQSU-AYBZRNKSSA-N 2 0 302.462 2.746 20 0 DFADRP C[C@@H]1C[C@H](Nc2cccc(C[NH+]3CCC(O)CC3)c2)CC[N@@H+]1C ZINC000679053034 544775466 /nfs/dbraw/zinc/77/54/66/544775466.db2.gz XPZBIWLJSQHXKX-CRAIPNDOSA-N 2 0 317.477 2.538 20 0 DFADRP CC[N@@H+]1C[C@H](C)[C@H](NC2CC[NH+]([C@@H]3CCCC[C@@H]3C)CC2)C1 ZINC000679074239 544779669 /nfs/dbraw/zinc/77/96/69/544779669.db2.gz AFMSBZCFQZDTLH-RNIPGJKVSA-N 2 0 307.526 2.959 20 0 DFADRP CCOC1CC[NH+](Cc2cn(-c3cc[nH+]cc3)nc2C)CC1 ZINC000680327568 544990757 /nfs/dbraw/zinc/99/07/57/544990757.db2.gz SETZMKWPYGKWDI-UHFFFAOYSA-N 2 0 300.406 2.577 20 0 DFADRP C[NH+](C)[C@H](CNc1cc[nH+]cc1C(N)=O)c1ccc(Cl)cc1 ZINC000302176128 230142959 /nfs/dbraw/zinc/14/29/59/230142959.db2.gz WLVXPFKLCZDBIC-OAHLLOKOSA-N 2 0 318.808 2.549 20 0 DFADRP CCC1(O)CCC([NH2+]Cc2cn(-c3cc[nH+]cc3)nc2C)CC1 ZINC000680133933 544963060 /nfs/dbraw/zinc/96/30/60/544963060.db2.gz VRECSXPDEWFSQI-UHFFFAOYSA-N 2 0 314.433 2.749 20 0 DFADRP C[C@H]1C[C@H](CC[NH2+]Cc2ccc(OCC[NH+](C)C)cc2)CCO1 ZINC000680142044 544964142 /nfs/dbraw/zinc/96/41/42/544964142.db2.gz QXKXRNAIVBZDKT-DLBZAZTESA-N 2 0 320.477 2.922 20 0 DFADRP C[C@H](C(=O)Nc1cccc(F)c1)[NH+]1CCC(CC[NH+](C)C)CC1 ZINC000056522464 425895537 /nfs/dbraw/zinc/89/55/37/425895537.db2.gz FGEYSODOIAIMBX-CQSZACIVSA-N 2 0 321.440 2.816 20 0 DFADRP C[N@H+](CCN1CC[NH+]([C@H]2C=CCCC2)CC1)Cc1ccccc1 ZINC000066534400 425904636 /nfs/dbraw/zinc/90/46/36/425904636.db2.gz HAJKQNZYVOICBF-FQEVSTJZSA-N 2 0 313.489 2.845 20 0 DFADRP CCc1nc(C)c([C@@H](C)[NH2+]C[C@H](C)N2CC[NH+](CC)CC2)s1 ZINC000155568111 425920755 /nfs/dbraw/zinc/92/07/55/425920755.db2.gz AGFMZQNENUCZDG-UONOGXRCSA-N 2 0 324.538 2.691 20 0 DFADRP CC[NH+]1CCN([C@H](C)C[NH2+][C@@H](C)c2cc(F)ccc2F)CC1 ZINC000155583647 425921347 /nfs/dbraw/zinc/92/13/47/425921347.db2.gz KTMGFRCQZUAKFO-KGLIPLIRSA-N 2 0 311.420 2.641 20 0 DFADRP CC[NH+]1CCN([C@@H](C)C[NH2+][C@@H](C)c2ccc(OC)cc2F)CC1 ZINC000155578494 425921591 /nfs/dbraw/zinc/92/15/91/425921591.db2.gz HHOCTJWDZYZDKL-GJZGRUSLSA-N 2 0 323.456 2.511 20 0 DFADRP CC[NH+]1CCN([C@H](C)C[NH2+][C@H]2CCc3cc(Cl)ccc32)CC1 ZINC000155721289 425925023 /nfs/dbraw/zinc/92/50/23/425925023.db2.gz VUNADISEZLBGIO-KDOFPFPSSA-N 2 0 321.896 2.943 20 0 DFADRP CC[NH+](CC)CCC[C@H](C)NC(=O)c1cccc(C[NH+](C)C)c1 ZINC000155881883 425928356 /nfs/dbraw/zinc/92/83/56/425928356.db2.gz FPYSHBNHKWMLBI-INIZCTEOSA-N 2 0 319.493 2.989 20 0 DFADRP COc1cc(C[NH2+]CCCC[NH+](C)C)cc(Cl)c1OC ZINC000045598395 425861688 /nfs/dbraw/zinc/86/16/88/425861688.db2.gz NFYJUTKMKNJEOB-UHFFFAOYSA-N 2 0 300.830 2.789 20 0 DFADRP COCC[N@H+](C)CCCC1CC[NH+](CC[C@H]2CCCO2)CC1 ZINC000189796460 267956050 /nfs/dbraw/zinc/95/60/50/267956050.db2.gz TVYKDEXCPMTBJL-GOSISDBHSA-N 2 0 312.498 2.626 20 0 DFADRP C[C@H]([NH2+]CCCN1CC[NH+](C)CC1)c1ccc(Cl)s1 ZINC000035286120 425843999 /nfs/dbraw/zinc/84/39/99/425843999.db2.gz ALIOGZACLSWHMC-LBPRGKRZSA-N 2 0 301.887 2.690 20 0 DFADRP C[NH+]1CCC(C[NH2+]Cc2sccc2Br)CC1 ZINC000044518066 425856815 /nfs/dbraw/zinc/85/68/15/425856815.db2.gz LEYLTQCJJJHYGV-UHFFFAOYSA-N 2 0 303.269 2.942 20 0 DFADRP Cc1cccc(C[C@H](CO)[NH2+]C2CC[NH+](C(C)(C)C)CC2)c1 ZINC000191604912 268006694 /nfs/dbraw/zinc/00/66/94/268006694.db2.gz KDYDJHWQVIFKQV-GOSISDBHSA-N 2 0 304.478 2.751 20 0 DFADRP CC[NH+](CC)Cc1ccc(C(=O)NCC[N@@H+]2CCCC[C@H]2C)o1 ZINC000046860287 425866537 /nfs/dbraw/zinc/86/65/37/425866537.db2.gz DKXNAYPLKMNTMV-OAHLLOKOSA-N 2 0 321.465 2.726 20 0 DFADRP CC[NH+](CC)CCC[N@H+](C[C@@H]1CCCO1)[C@@H]1CCSC1 ZINC000191817391 268015301 /nfs/dbraw/zinc/01/53/01/268015301.db2.gz UUCLUUFYVSHAHB-CVEARBPZSA-N 2 0 300.512 2.705 20 0 DFADRP Cc1ccc(C[N@@H+](C)CCCN2CC[NH+](C(C)C)CC2)s1 ZINC000192732047 268047061 /nfs/dbraw/zinc/04/70/61/268047061.db2.gz JXLDRKBOTFYILW-UHFFFAOYSA-N 2 0 309.523 2.904 20 0 DFADRP C[C@H](CCN[C@@H](C)c1ccnn1C)[N@H+](C)Cc1ccccc1 ZINC000192924212 268053809 /nfs/dbraw/zinc/05/38/09/268053809.db2.gz WVBDMVTVLQZIPZ-CVEARBPZSA-N 2 0 300.450 2.981 20 0 DFADRP COc1ccc(C[NH2+]C(C)(C)CC[NH3+])cc1Br ZINC000258677706 268168689 /nfs/dbraw/zinc/16/86/89/268168689.db2.gz AQJAQTZUMBAVNJ-UHFFFAOYSA-N 2 0 301.228 2.675 20 0 DFADRP C[NH+](C)CCCC[NH2+][C@@H]1CCC[C@@H]1CNC(=O)OC(C)(C)C ZINC000229093186 268145370 /nfs/dbraw/zinc/14/53/70/268145370.db2.gz BXBOELYOEGAIES-HUUCEWRRSA-N 2 0 313.486 2.611 20 0 DFADRP C[NH+](C)CCCC[NH2+][C@H]1CCC[C@@H]1CNC(=O)OC(C)(C)C ZINC000229093195 268145390 /nfs/dbraw/zinc/14/53/90/268145390.db2.gz BXBOELYOEGAIES-CABCVRRESA-N 2 0 313.486 2.611 20 0 DFADRP CC1CC[NH+]([C@@H](CNC(=O)C(C)(C)C[NH3+])c2ccccc2)CC1 ZINC000236719995 268149134 /nfs/dbraw/zinc/14/91/34/268149134.db2.gz IXXZZTNOIXIUMY-KRWDZBQOSA-N 2 0 317.477 2.561 20 0 DFADRP Fc1ccc(Br)cc1C[NH2+]CC[C@H]1CC[NH2+]C1 ZINC000259107869 268168851 /nfs/dbraw/zinc/16/88/51/268168851.db2.gz UYZVLCDVHPAXIL-SNVBAGLBSA-N 2 0 301.203 2.677 20 0 DFADRP CC[NH+](CC)C[C@@H]1CCN(C(=O)c2sccc2C[NH+](C)C)C1 ZINC000268098392 268183764 /nfs/dbraw/zinc/18/37/64/268183764.db2.gz KKVHAYBBBSLKCO-AWEZNQCLSA-N 2 0 323.506 2.614 20 0 DFADRP COc1ccc([C@H](C)[NH2+]C2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)cc1 ZINC000271454070 268249328 /nfs/dbraw/zinc/24/93/28/268249328.db2.gz FAKSFLLQZJARQT-KYNGSXCRSA-N 2 0 318.461 2.724 20 0 DFADRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+][C@@H]1CCc2c1c(F)ccc2F ZINC000274569096 268257395 /nfs/dbraw/zinc/25/73/95/268257395.db2.gz AQCRERRLMWVELP-CXAGYDPISA-N 2 0 323.431 2.568 20 0 DFADRP CC[NH+](CC)CCNC(=O)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000298599495 268315104 /nfs/dbraw/zinc/31/51/04/268315104.db2.gz MYJROYGDOYCDJS-UHFFFAOYSA-N 2 0 317.477 2.744 20 0 DFADRP COCCC[NH+](C)Cc1cccc(C[N@@H+](C)CCCOC)c1 ZINC000299263596 268319444 /nfs/dbraw/zinc/31/94/44/268319444.db2.gz JLOBVRGRIZMHFE-UHFFFAOYSA-N 2 0 308.466 2.623 20 0 DFADRP C[C@H](c1ccc(Br)cc1)N1CCCO[C@H](C[NH3+])C1 ZINC000313351154 268339429 /nfs/dbraw/zinc/33/94/29/268339429.db2.gz MYBSXHRHYZFTIP-BXUZGUMPSA-N 2 0 313.239 2.560 20 0 DFADRP CCOC(=O)N1CCC([NH2+][C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)CC1 ZINC000321487191 268348577 /nfs/dbraw/zinc/34/85/77/268348577.db2.gz XYFXGBPCZPOPDN-YESZJQIVSA-N 2 0 323.481 2.508 20 0 DFADRP C[C@H](C(=O)NC1CCC(C)CC1)[NH+]1CCC(c2ncc[nH]2)CC1 ZINC000331948364 268359471 /nfs/dbraw/zinc/35/94/71/268359471.db2.gz OGUSHJFKVZTJOF-NPCAHTBFSA-N 2 0 318.465 2.673 20 0 DFADRP Cc1nn2c(C[NH2+][C@H]3CCC[C@@H]([NH3+])C3)c(C(C)C)nc2s1 ZINC000333103244 268374810 /nfs/dbraw/zinc/37/48/10/268374810.db2.gz FDSUABQHXHCUSJ-NEPJUHHUSA-N 2 0 307.467 2.582 20 0 DFADRP CCc1noc(C2CCC([NH2+]CC3(C)CC[NH2+]CC3)CC2)n1 ZINC000333107441 268374968 /nfs/dbraw/zinc/37/49/68/268374968.db2.gz DJGFZYAGTCPKHQ-UHFFFAOYSA-N 2 0 306.454 2.638 20 0 DFADRP C[C@H]([NH3+])[C@@H]1COCC[C@H]1NCC1([NH+]2CCCCC2)CCCCC1 ZINC000333299881 268390405 /nfs/dbraw/zinc/39/04/05/268390405.db2.gz PWUIOZBBUMYRAB-OKZBNKHCSA-N 2 0 323.525 2.517 20 0 DFADRP O=C([C@@H]1CCC[N@@H+]1C1CCCC1)N1CCC(c2ncc[nH]2)CC1 ZINC000333359980 268393832 /nfs/dbraw/zinc/39/38/32/268393832.db2.gz XFZZPHJXJHBDGZ-INIZCTEOSA-N 2 0 316.449 2.523 20 0 DFADRP CC(C)CNC(=O)[C@@H](C)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000103229618 425939077 /nfs/dbraw/zinc/93/90/77/425939077.db2.gz JFTUKSBAVYISGJ-QZTJIDSGSA-N 2 0 323.525 2.735 20 0 DFADRP CCN(CC)C(=O)[C@H](C)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000103229465 425939201 /nfs/dbraw/zinc/93/92/01/425939201.db2.gz FNUHYXQXBKBRIR-ZWKOTPCHSA-N 2 0 323.525 2.831 20 0 DFADRP CCC[C@H](C(=O)N1CCC[C@@H](C[N@@H+]2CCCC[C@@H]2C)C1)[NH+](C)C ZINC000158047207 425940921 /nfs/dbraw/zinc/94/09/21/425940921.db2.gz NZKQYCIQSSWZJA-OKZBNKHCSA-N 2 0 323.525 2.830 20 0 DFADRP CC(=O)c1ccccc1OCC[NH+]1CCC(C[NH+](C)C)CC1 ZINC000336851365 268439710 /nfs/dbraw/zinc/43/97/10/268439710.db2.gz QGJKACHJYKJWCL-UHFFFAOYSA-N 2 0 304.434 2.542 20 0 DFADRP COCCOCC[NH+]1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000158839637 425948853 /nfs/dbraw/zinc/94/88/53/425948853.db2.gz UDDGHXAMQMLDCD-QGZVFWFLSA-N 2 0 312.498 2.626 20 0 DFADRP CC[C@H](C(=O)NC[C@H]1CCC[N@H+](C)[C@@H]1c1cccs1)[NH+](C)C ZINC000158971607 425950639 /nfs/dbraw/zinc/95/06/39/425950639.db2.gz WTTBMLOZKOXUAE-FMKPAKJESA-N 2 0 323.506 2.587 20 0 DFADRP C[C@@H]1CCCC[N@@H+]1CCC1CC[NH+](CC[C@@H]2CCOC2=O)CC1 ZINC000158976211 425951678 /nfs/dbraw/zinc/95/16/78/425951678.db2.gz YDTPKDKEJARDJA-SJLPKXTDSA-N 2 0 322.493 2.916 20 0 DFADRP CC[NH+](CC)[C@@H](CNC(=O)[C@H]1CCCC[N@@H+]1CC)c1ccco1 ZINC000104149206 425959572 /nfs/dbraw/zinc/95/95/72/425959572.db2.gz OFRUUQQGPUFCAG-CVEARBPZSA-N 2 0 321.465 2.653 20 0 DFADRP COc1ccc(C[NH2+][C@H]2CC[N@H+](C)C[C@H]2C)cc1OC(F)F ZINC000105480783 425968292 /nfs/dbraw/zinc/96/82/92/425968292.db2.gz CULIGZZYDJGQAK-YPMHNXCESA-N 2 0 314.376 2.726 20 0 DFADRP COc1ccc(C[N@@H+]2CCC[C@H](CC[NH3+])C2)c(Cl)c1OC ZINC000070169332 425969322 /nfs/dbraw/zinc/96/93/22/425969322.db2.gz NDYXJHVSCYEXSF-GFCCVEGCSA-N 2 0 312.841 2.918 20 0 DFADRP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCCN(c3cccc(F)c3)C2)CCN1C ZINC000125587906 425980293 /nfs/dbraw/zinc/98/02/93/425980293.db2.gz YCWQHKXCWDZYQX-HYVNUMGLSA-N 2 0 305.441 2.867 20 0 DFADRP COCC[C@@H](C)[NH2+][C@@H](C)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000126751899 426034921 /nfs/dbraw/zinc/03/49/21/426034921.db2.gz WWYFROKVYYUIJR-CABCVRRESA-N 2 0 323.456 2.653 20 0 DFADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1NCc1ccc2c(c1)OCCCO2 ZINC000161872451 426042470 /nfs/dbraw/zinc/04/24/70/426042470.db2.gz QAMNNOVQIGJWBA-FMKPAKJESA-N 2 0 304.434 2.666 20 0 DFADRP c1nnc([C@H]2CCCN(CCC[NH+]3CCCCC3)C2)n1C1CC1 ZINC000161960567 426047295 /nfs/dbraw/zinc/04/72/95/426047295.db2.gz VBNFSIUXJLHLQZ-INIZCTEOSA-N 2 0 317.481 2.668 20 0 DFADRP CC[C@@H](C(=O)Nc1cccc2c1C[N@H+](CC(C)C)C2)[NH+](C)C ZINC000162218473 426057119 /nfs/dbraw/zinc/05/71/19/426057119.db2.gz UIGGNAOCAAKFLX-KRWDZBQOSA-N 2 0 303.450 2.937 20 0 DFADRP CCC[NH+](CCC)CCCC(=O)N(C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000127559986 426072588 /nfs/dbraw/zinc/07/25/88/426072588.db2.gz FUFNWKRXOFPPLP-SJORKVTESA-N 2 0 311.514 2.830 20 0 DFADRP CCC[C@@H](C(=O)NCC1CC[NH+](CCC(C)C)CC1)[NH+](C)C ZINC000162435100 426065515 /nfs/dbraw/zinc/06/55/15/426065515.db2.gz YUWWEFPHEFEEHO-KRWDZBQOSA-N 2 0 311.514 2.591 20 0 DFADRP Fc1cc(C[NH2+][C@@H]2CCN(C3CC3)C2)ccc1Br ZINC000127447054 426067140 /nfs/dbraw/zinc/06/71/40/426067140.db2.gz HXSFKYXQUBVPRI-LLVKDONJSA-N 2 0 313.214 2.915 20 0 DFADRP C[C@H]([NH2+]CC1CC[NH+](C)CC1)c1ccc(OCC[NH+](C)C)cc1 ZINC000126169362 426008041 /nfs/dbraw/zinc/00/80/41/426008041.db2.gz UUVNYGQDERESDJ-INIZCTEOSA-N 3 0 319.493 2.619 20 0 DFADRP CCO[C@@H](CC[NH+](C)C)C[NH2+]Cc1cc2cc(OC)ccc2o1 ZINC000126483349 426021981 /nfs/dbraw/zinc/02/19/81/426021981.db2.gz QPKFRYIZYUAZHR-INIZCTEOSA-N 2 0 320.433 2.888 20 0 DFADRP CC(C)[NH+]1CCC(C(=O)NC[C@@]2([NH+](C)C)CCC[C@@H](C)C2)CC1 ZINC000073025114 426022288 /nfs/dbraw/zinc/02/22/88/426022288.db2.gz YXDSVIGYTZEXTA-VQIMIIECSA-N 2 0 323.525 2.734 20 0 DFADRP CC(C)[NH+]1CCC(C(=O)NC[C@@]2([NH+](C)C)CCC[C@H](C)C2)CC1 ZINC000073025117 426022292 /nfs/dbraw/zinc/02/22/92/426022292.db2.gz YXDSVIGYTZEXTA-QFBILLFUSA-N 2 0 323.525 2.734 20 0 DFADRP Cc1nn(C)cc1CN[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000163083444 426088880 /nfs/dbraw/zinc/08/88/80/426088880.db2.gz XGHMIFDBAYICBZ-HNAYVOBHSA-N 2 0 312.461 2.729 20 0 DFADRP C[C@@H]([NH2+]CCc1nccs1)c1cccc(OCC[NH+](C)C)c1 ZINC000127883118 426090827 /nfs/dbraw/zinc/09/08/27/426090827.db2.gz YGBXFYKARKZPDP-CQSZACIVSA-N 2 0 319.474 2.977 20 0 DFADRP CC[NH+](CC)C[C@H]1CC[N@H+](CCC(=O)NCC2CCCCC2)C1 ZINC000076000790 426092646 /nfs/dbraw/zinc/09/26/46/426092646.db2.gz OGJLAEUBNJYZBR-GOSISDBHSA-N 2 0 323.525 2.737 20 0 DFADRP CC[N@@H+]1CC[C@H](C[NH2+][C@@H](C)c2cccc(OCC[NH+](C)C)c2)C1 ZINC000163244591 426093758 /nfs/dbraw/zinc/09/37/58/426093758.db2.gz ABXBKXZKZANJHK-DLBZAZTESA-N 3 0 319.493 2.619 20 0 DFADRP Cc1ccc(C)c([C@@H](C)[NH2+]CCC[N@@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000128012502 426097362 /nfs/dbraw/zinc/09/73/62/426097362.db2.gz XTXNAXBJVKWJQR-SJORKVTESA-N 2 0 317.477 2.541 20 0 DFADRP C[C@H]([NH2+]CCCN1CCC[N@H+](C)CC1)C(C)(C)c1ccccc1 ZINC000128250851 426108957 /nfs/dbraw/zinc/10/89/57/426108957.db2.gz MQWLVEQTGZKZGG-SFHVURJKSA-N 2 0 317.521 2.970 20 0 DFADRP CC1CC[NH+](Cc2ccc(NC(=O)[C@H]3CC[C@@H]([NH3+])C3)cc2)CC1 ZINC000164559081 426115190 /nfs/dbraw/zinc/11/51/90/426115190.db2.gz URYKRWHKKYHBJE-DLBZAZTESA-N 2 0 315.461 2.984 20 0 DFADRP C[C@H]1C[C@@H](NC[C@@H]2CC[NH+](CCc3ccccc3)C2)CC[N@@H+]1C ZINC000165293364 426122105 /nfs/dbraw/zinc/12/21/05/426122105.db2.gz OMKJHVPGSQIKQY-IHPCNDPISA-N 2 0 315.505 2.623 20 0 DFADRP CCO[C@@H](CC[NH+](C)C)C[NH2+][C@@H](C)c1cccc(NC(C)=O)c1 ZINC000165926285 426124221 /nfs/dbraw/zinc/12/42/21/426124221.db2.gz JUYWWLCILRWDAA-KSSFIOAISA-N 2 0 321.465 2.652 20 0 DFADRP CC(C)[C@@H]([NH3+])C(=O)NC[C@@H](c1ccccc1)[NH+]1CCC(C)CC1 ZINC000165724479 426124412 /nfs/dbraw/zinc/12/44/12/426124412.db2.gz YOHCNEMMNDGCQN-ZWKOTPCHSA-N 2 0 317.477 2.559 20 0 DFADRP CC[C@H]([NH2+]CCCN1CCC[N@H+](C)CC1)c1ccccc1OC ZINC000128597490 426124676 /nfs/dbraw/zinc/12/46/76/426124676.db2.gz QLLXJYYZJIUMJQ-SFHVURJKSA-N 2 0 319.493 2.764 20 0 DFADRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@H](C)c1ccc(F)cc1F ZINC000165965977 426124740 /nfs/dbraw/zinc/12/47/40/426124740.db2.gz XDZKPFAWFGBEGC-TZMCWYRMSA-N 2 0 300.393 2.972 20 0 DFADRP CCC[C@H]([NH3+])C(=O)NC[C@H](c1ccccc1)[NH+]1CCC(C)CC1 ZINC000165725713 426125108 /nfs/dbraw/zinc/12/51/08/426125108.db2.gz KLBLKSHJSDOZAL-ZWKOTPCHSA-N 2 0 317.477 2.703 20 0 DFADRP CCO[C@@H](CC[NH+](C)C)C[NH2+][C@H](C)c1cc(F)cc(F)c1 ZINC000166004547 426125477 /nfs/dbraw/zinc/12/54/77/426125477.db2.gz BAXICSDNZRGBQE-WBMJQRKESA-N 2 0 300.393 2.972 20 0 DFADRP CC(C)[N@H+](C)Cc1cccc(CNC(=O)[C@@H]2CCC[C@H]([NH3+])C2)c1 ZINC000165998066 426126219 /nfs/dbraw/zinc/12/62/19/426126219.db2.gz QNPQXRZLTSXLGX-MSOLQXFVSA-N 2 0 317.477 2.661 20 0 DFADRP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1N[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000166330866 426127590 /nfs/dbraw/zinc/12/75/90/426127590.db2.gz IYVWDGMMYJXDNR-QGZVKYPTSA-N 2 0 315.505 2.969 20 0 DFADRP C[C@H]([NH2+]C(C)(C)CNC(=O)[C@@H]1CCC[C@H]([NH3+])C1)c1ccccc1 ZINC000167619060 426133566 /nfs/dbraw/zinc/13/35/66/426133566.db2.gz UAGVIAFIGMEPAQ-UAGQMJEPSA-N 2 0 317.477 2.750 20 0 DFADRP CC[NH+](CC)Cc1cccc(NC(=O)[C@@]2(CC)CCC[NH2+]2)c1 ZINC000128858926 426135966 /nfs/dbraw/zinc/13/59/66/426135966.db2.gz BSQTYSSPIFLKKG-GOSISDBHSA-N 2 0 303.450 2.999 20 0 DFADRP C[N@@H+]1CCC[C@@H]2C[NH+](CCC(=O)Nc3ccccc3F)CC[C@@H]21 ZINC000162790021 426077669 /nfs/dbraw/zinc/07/76/69/426077669.db2.gz JRWMIQPWMJTTRD-PBHICJAKSA-N 2 0 319.424 2.570 20 0 DFADRP C[C@H]1C[C@H]([NH2+]Cc2ccc(C[NH+]3CCCC3)cc2)CC[N@@H+]1C ZINC000162901530 426082313 /nfs/dbraw/zinc/08/23/13/426082313.db2.gz ABIDSZQDBUIYMX-QFBILLFUSA-N 3 0 301.478 2.855 20 0 DFADRP COc1cc(CN2CCC([NH+]3CCCC3)CC2)cc(OC)c1 ZINC000127727271 426082468 /nfs/dbraw/zinc/08/24/68/426082468.db2.gz XXWWJMORYQDDNG-UHFFFAOYSA-N 2 0 304.434 2.764 20 0 DFADRP COCCOc1cccc(C[NH2+][C@@H]2C[C@@H](C)[N@H+](C)C[C@H]2C)c1 ZINC000163005553 426086517 /nfs/dbraw/zinc/08/65/17/426086517.db2.gz SLACMWFQAIPPME-IIDMSEBBSA-N 2 0 306.450 2.530 20 0 DFADRP C[C@H](C[NH+]1CCN(C[C@H]2CCCC[N@@H+]2C)CC1)c1ccccc1 ZINC000116879080 426200315 /nfs/dbraw/zinc/20/03/15/426200315.db2.gz FSNMNLMEANXTBQ-UYAOXDASSA-N 2 0 315.505 2.892 20 0 DFADRP C[C@H]1C[N@H+](C)CC[C@H]1N[C@@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000129609172 426139935 /nfs/dbraw/zinc/13/99/35/426139935.db2.gz LKWZEJBIGSLATK-RAUXBKROSA-N 2 0 315.505 2.969 20 0 DFADRP C[C@@H]1C[C@H]([NH3+])CC[N@@H+]1CCOc1cccc(Br)c1 ZINC000131890477 426167482 /nfs/dbraw/zinc/16/74/82/426167482.db2.gz RJDULYZQLAYLKZ-DGCLKSJQSA-N 2 0 313.239 2.640 20 0 DFADRP C[C@H]1C[C@H]([NH3+])CC[N@@H+]1CCOc1cccc(Br)c1 ZINC000131890680 426167627 /nfs/dbraw/zinc/16/76/27/426167627.db2.gz RJDULYZQLAYLKZ-WCQYABFASA-N 2 0 313.239 2.640 20 0 DFADRP CC[NH+](CC)[C@@H](CNC(=O)[C@]1(CC)CCC[NH2+]1)c1ccsc1 ZINC000134568154 426189037 /nfs/dbraw/zinc/18/90/37/426189037.db2.gz IBQOUXGHVSLDOX-RDJZCZTQSA-N 2 0 323.506 2.779 20 0 DFADRP CC[NH+](CC)[C@H](CNC(=O)[C@@]1(CC)CCC[NH2+]1)c1ccsc1 ZINC000134568177 426189043 /nfs/dbraw/zinc/18/90/43/426189043.db2.gz IBQOUXGHVSLDOX-NVXWUHKLSA-N 2 0 323.506 2.779 20 0 DFADRP CC[N@@H+]1CC[C@H]([NH+](C)CCC(=O)Nc2cccc(F)c2)[C@H](C)C1 ZINC000081096499 426220017 /nfs/dbraw/zinc/22/00/17/426220017.db2.gz FVTSRNHLFANXEL-PBHICJAKSA-N 2 0 321.440 2.816 20 0 DFADRP c1cc(CC[N@@H+]2CC[C@H](C[NH+]3CCCCC3)C2)cc2c1OCC2 ZINC000173873835 426249175 /nfs/dbraw/zinc/24/91/75/426249175.db2.gz IPMXVUFQQFACLU-GOSISDBHSA-N 2 0 314.473 2.972 20 0 DFADRP CC(C)CCn1cccc1C[NH2+]C[C@H](C)CN1CC[NH+](C)CC1 ZINC000119067396 426259706 /nfs/dbraw/zinc/25/97/06/426259706.db2.gz WFUALTFYSJFZSZ-SFHVURJKSA-N 2 0 320.525 2.507 20 0 DFADRP CCC[N@H+](C)C[C@@H]1CCN(Cc2ccc(C(=O)OC)s2)C1 ZINC000119488557 426291995 /nfs/dbraw/zinc/29/19/95/426291995.db2.gz JCZXKILTDYJFAH-ZDUSSCGKSA-N 2 0 310.463 2.698 20 0 DFADRP COC(=O)c1ccc(CN(C)[C@H]2CC[N@H+](C)[C@@H](C)C2)cc1F ZINC000151664501 426306889 /nfs/dbraw/zinc/30/68/89/426306889.db2.gz NFEYTVSVUKJWOT-JSGCOSHPSA-N 2 0 308.397 2.527 20 0 DFADRP C[C@@H]([NH2+]CC1CC[NH+](CCO)CC1)c1cc2c(s1)CCCC2 ZINC000151828033 426314253 /nfs/dbraw/zinc/31/42/53/426314253.db2.gz BWWNOGDTRARWES-CQSZACIVSA-N 2 0 322.518 2.982 20 0 DFADRP C[C@H]([NH2+]CC1CC[NH+](CCO)CC1)c1cnc2ccsc2c1 ZINC000151862479 426316725 /nfs/dbraw/zinc/31/67/25/426316725.db2.gz NFAWKCAVEGPFBS-ZDUSSCGKSA-N 2 0 319.474 2.651 20 0 DFADRP CCc1ccc([C@H](C)[NH2+]C[C@H](C)CN2CC[NH+](CC)CC2)o1 ZINC000121401726 426340344 /nfs/dbraw/zinc/34/03/44/426340344.db2.gz HLQAPAYXDCUCNW-HOTGVXAUSA-N 2 0 307.482 2.766 20 0 DFADRP CC[N@@H+]1CC[C@@H]([NH+](C)CCC(=O)Nc2ccc(F)cc2)[C@H](C)C1 ZINC000175719301 426322778 /nfs/dbraw/zinc/32/27/78/426322778.db2.gz QREFSQKLAAAKAX-RHSMWYFYSA-N 2 0 321.440 2.816 20 0 DFADRP C[C@@H]([NH2+]C[C@H]1CCC[N@H+](C)C1)c1ccc2c(c1)OCCCO2 ZINC000121222721 426326021 /nfs/dbraw/zinc/32/60/21/426326021.db2.gz CNWFTWAZQVBCBM-HUUCEWRRSA-N 2 0 304.434 2.840 20 0 DFADRP C[N@H+](CCCCCCO)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000175776872 426327779 /nfs/dbraw/zinc/32/77/79/426327779.db2.gz YGIKYJBLHYMACF-LJQANCHMSA-N 2 0 304.478 2.993 20 0 DFADRP CCC[NH+](CCC)CC(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000175872145 426335653 /nfs/dbraw/zinc/33/56/53/426335653.db2.gz ISXGZVHOUZYBHV-QGZVFWFLSA-N 2 0 305.466 2.528 20 0 DFADRP C[C@@H]([NH2+]CCCn1ccnc1)c1ccc(OCC[NH+](C)C)cc1 ZINC000151109943 426278121 /nfs/dbraw/zinc/27/81/21/426278121.db2.gz WMHQUSHUIISVAG-MRXNPFEDSA-N 2 0 316.449 2.564 20 0 DFADRP CCC[N@@H+]1CC[C@H](C[NH2+][C@@H](C)c2ccc(-n3cncn3)cc2)C1 ZINC000151140061 426280916 /nfs/dbraw/zinc/28/09/16/426280916.db2.gz XXEUJFPPZGLXAC-JKSUJKDBSA-N 2 0 313.449 2.650 20 0 DFADRP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]Cc1cc(Br)ccc1F ZINC000089150340 426281252 /nfs/dbraw/zinc/28/12/52/426281252.db2.gz RZJIGZXORBPKJZ-ZANVPECISA-N 2 0 301.203 2.805 20 0 DFADRP C[C@@H](CCNc1ncnc2c1cnn2C)[N@H+](C)Cc1ccccc1 ZINC000175161193 426283563 /nfs/dbraw/zinc/28/35/63/426283563.db2.gz ADGULUSMDPTYBL-AWEZNQCLSA-N 2 0 324.432 2.686 20 0 DFADRP CCC[C@H](NC[C@H](O)C[NH+]1CCCCC1)c1ccc(OC)cc1 ZINC000151259056 426286117 /nfs/dbraw/zinc/28/61/17/426286117.db2.gz XZLYEHCOGBKVMC-HKUYNNGSSA-N 2 0 320.477 2.973 20 0 DFADRP CCc1nc(C)c([C@H](C)NC[C@H](O)C[NH+]2CCCCC2)s1 ZINC000151250982 426286224 /nfs/dbraw/zinc/28/62/24/426286224.db2.gz QSVFSTVOHVXOQJ-JSGCOSHPSA-N 2 0 311.495 2.511 20 0 DFADRP CCC[C@@H](NC[C@H](O)C[NH+]1CCCCC1)c1ccc(OC)cc1 ZINC000151259106 426286515 /nfs/dbraw/zinc/28/65/15/426286515.db2.gz XZLYEHCOGBKVMC-PKOBYXMFSA-N 2 0 320.477 2.973 20 0 DFADRP CCc1nc(C)c([C@@H](C)NC[C@H](O)C[NH+]2CCCCC2)s1 ZINC000151250913 426286617 /nfs/dbraw/zinc/28/66/17/426286617.db2.gz QSVFSTVOHVXOQJ-OCCSQVGLSA-N 2 0 311.495 2.511 20 0 DFADRP C[C@H]1C[C@H]([NH2+]CC(C)(C)c2ccc3c(c2)OCO3)CC[N@@H+]1C ZINC000122808687 426395987 /nfs/dbraw/zinc/39/59/87/426395987.db2.gz RMOUVMHZKCVWEL-DZGCQCFKSA-N 2 0 304.434 2.765 20 0 DFADRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@@H](C)c1nc2ccccc2n1C ZINC000091369115 426341582 /nfs/dbraw/zinc/34/15/82/426341582.db2.gz IXAGRPVEMCCDRW-LSDHHAIUSA-N 2 0 318.465 2.581 20 0 DFADRP C[C@@H]([NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1)c1ccc([S@](C)=O)cc1 ZINC000152447523 426342788 /nfs/dbraw/zinc/34/27/88/426342788.db2.gz RKNVNTYAVAQOKA-HKZYLEAXSA-N 2 0 306.475 2.559 20 0 DFADRP CCC[C@@H](CCO)C[NH2+][C@@H]1CCN(Cc2ccccn2)C[C@@H]1C ZINC000152521340 426345543 /nfs/dbraw/zinc/34/55/43/426345543.db2.gz DQWWFUWHVSXVAI-JENIJYKNSA-N 2 0 319.493 2.680 20 0 DFADRP CC1CCC(C[NH+]2CCN(C[C@@H]3CCCC[N@@H+]3C)CC2)CC1 ZINC000093148363 426353971 /nfs/dbraw/zinc/35/39/71/426353971.db2.gz ZKDWJCKFTDHYCQ-ACBHZAAOSA-N 2 0 307.526 2.915 20 0 DFADRP CC(C)c1cccc2c1OCCC[C@@H]2NC[C@@H](O)C[NH+](C)C ZINC000122306647 426368344 /nfs/dbraw/zinc/36/83/44/426368344.db2.gz QCYLSZMPDDAWOI-PBHICJAKSA-N 2 0 306.450 2.536 20 0 DFADRP CCC[C@H](C(=O)NCc1ccc(C[NH+]2CCCC2)cc1)[NH+](C)C ZINC000122323154 426368965 /nfs/dbraw/zinc/36/89/65/426368965.db2.gz YNFJQBUXWWSMFH-GOSISDBHSA-N 2 0 317.477 2.629 20 0 DFADRP CCSCC[NH+]1CCC(C[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000123041847 426411077 /nfs/dbraw/zinc/41/10/77/426411077.db2.gz MLAOMLUHFGETFQ-HUUCEWRRSA-N 2 0 300.512 2.561 20 0 DFADRP Cc1ccc([C@H](CN[C@H]2CC[N@@H+](C)C[C@@H]2C)[NH+]2CCCC2)o1 ZINC000154030771 426420225 /nfs/dbraw/zinc/42/02/25/426420225.db2.gz MJRKKOJOPLBJTH-XIRDDKMYSA-N 2 0 305.466 2.655 20 0 DFADRP CCC[C@@H](C)NC(=O)[C@@H](C)[NH+]1CCC(CCC[NH+](C)C)CC1 ZINC000123271450 426423752 /nfs/dbraw/zinc/42/37/52/426423752.db2.gz WHIGKGUGSGUZNB-HZPDHXFCSA-N 2 0 311.514 2.734 20 0 DFADRP C[C@@H]1C[C@@H](C)CN(C(=O)C[NH+]2CCC(CCC[NH+](C)C)CC2)C1 ZINC000123387982 426430672 /nfs/dbraw/zinc/43/06/72/426430672.db2.gz FZSIHRRFVXUAHJ-IAGOWNOFSA-N 2 0 323.525 2.545 20 0 DFADRP CC[NH+]1CCN(CCC[NH2+][C@H](C)c2ccc(OC)c(F)c2)CC1 ZINC000154251414 426432682 /nfs/dbraw/zinc/43/26/82/426432682.db2.gz MGPJJMNLXRTRJA-OAHLLOKOSA-N 2 0 323.456 2.513 20 0 DFADRP CCN1CC[NH+](CCCC[NH2+][C@H]2c3ccccc3C[C@@H]2C)CC1 ZINC000154478445 426442490 /nfs/dbraw/zinc/44/24/90/426442490.db2.gz PLKCHVKMTQSSSO-FXAWDEMLSA-N 2 0 315.505 2.927 20 0 DFADRP CCCC[C@H]([NH3+])C(=O)N1CCC[C@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000154549067 426444774 /nfs/dbraw/zinc/44/47/74/426444774.db2.gz KTPAUOODHBDRTG-BBWFWOEESA-N 2 0 309.498 2.617 20 0 DFADRP C[N@H+](Cc1ccccc1)CC(C)(C)C[NH+]1CCC[C@@H](CO)C1 ZINC000154614752 426448554 /nfs/dbraw/zinc/44/85/54/426448554.db2.gz WXRMERKOWGFSNR-GOSISDBHSA-N 2 0 304.478 2.849 20 0 DFADRP CCC[NH+](CCC)CCCC(=O)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000341432964 269076861 /nfs/dbraw/zinc/07/68/61/269076861.db2.gz PIIFDRGZYRYENX-GOSISDBHSA-N 2 0 323.525 2.975 20 0 DFADRP C[C@@H]([NH2+]CCCN1CC[NH+](Cc2ccccc2)CC1)C1CC1 ZINC000177209633 426454097 /nfs/dbraw/zinc/45/40/97/426454097.db2.gz CLQXJNFMSXKBPU-QGZVFWFLSA-N 2 0 301.478 2.582 20 0 DFADRP CC(C)n1ncc2cc(C[N@H+](C)CC3CC[NH+](C)CC3)cnc21 ZINC000154831165 426456985 /nfs/dbraw/zinc/45/69/85/426456985.db2.gz ALJATUDHPHURKY-UHFFFAOYSA-N 2 0 315.465 2.786 20 0 DFADRP Cc1ccc(C[C@@H]([NH2+][C@H](C)CN2CC[NH+](C)CC2)C2CC2)cc1 ZINC000155151147 426464503 /nfs/dbraw/zinc/46/45/03/426464503.db2.gz ZHJREDVQNPCNML-YLJYHZDGSA-N 2 0 315.505 2.542 20 0 DFADRP CC[NH2+]Cc1ccccc1NC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC000124191647 426474176 /nfs/dbraw/zinc/47/41/76/426474176.db2.gz KUEOOSAFDFWOPQ-OAHLLOKOSA-N 2 0 303.450 2.999 20 0 DFADRP C[C@@H]1C[C@@H]([NH2+]C2CCC(C(=O)OC(C)(C)C)CC2)CCN1C ZINC000124265627 426477160 /nfs/dbraw/zinc/47/71/60/426477160.db2.gz CPJWZOFVTKKBQC-LMPOIIKSSA-N 2 0 310.482 2.959 20 0 DFADRP CC[NH+](CC)Cc1cccc(C[NH2+][C@H]2CCN(C(C)C)C2=O)c1 ZINC000177430384 426478480 /nfs/dbraw/zinc/47/84/80/426478480.db2.gz RFNYPGPRZUYNJS-SFHVURJKSA-N 2 0 317.477 2.627 20 0 DFADRP CC(C)[N@@H+]1CCCC[C@H]1C(=O)NC1CC[NH+](C2CCCC2)CC1 ZINC000177431493 426478885 /nfs/dbraw/zinc/47/88/85/426478885.db2.gz YKQZMZRIUVNITA-SFHVURJKSA-N 2 0 321.509 2.773 20 0 DFADRP C[C@@H]([NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1)c1ccc2c(c1)OCCO2 ZINC000124377348 426482298 /nfs/dbraw/zinc/48/22/98/426482298.db2.gz XGPWJWRIEFMLSM-KGLIPLIRSA-N 2 0 302.418 2.593 20 0 DFADRP C[C@H]1Cc2ccccc2[C@@H]1[NH2+]CC1CC[NH+](CCN(C)C)CC1 ZINC000124395918 426483436 /nfs/dbraw/zinc/48/34/36/426483436.db2.gz INGKVZHSGNOSNI-OXJNMPFZSA-N 2 0 315.505 2.783 20 0 DFADRP C[C@@H](C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1)[NH+]1[C@H](C)CC[C@H]1C ZINC000101631953 426485482 /nfs/dbraw/zinc/48/54/82/426485482.db2.gz WARZNWOGQJTGIJ-MCIONIFRSA-N 2 0 309.498 2.673 20 0 DFADRP CC[NH+](CC)CCNC(=O)c1ccc(C[N@H+](CC)C(C)C)cc1 ZINC000101633887 426485523 /nfs/dbraw/zinc/48/55/23/426485523.db2.gz PFDPSLABBXYHIR-UHFFFAOYSA-N 2 0 319.493 2.989 20 0 DFADRP CCCC[NH+]1CCC(NC(=O)[C@H](C)[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000101659266 426485898 /nfs/dbraw/zinc/48/58/98/426485898.db2.gz WMCUAAQHAAZTFQ-XHSDSOJGSA-N 2 0 309.498 2.628 20 0 DFADRP CC[NH+]1CCC(N[C@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000272368567 426508412 /nfs/dbraw/zinc/50/84/12/426508412.db2.gz UIUYJMRREDYNDA-IEBWSBKVSA-N 2 0 315.505 2.971 20 0 DFADRP C[C@H]([NH2+][C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1)c1cnn(C)c1 ZINC000272392638 426515238 /nfs/dbraw/zinc/51/52/38/426515238.db2.gz YCOUZKAIWSPOPQ-BQFCYCMXSA-N 2 0 312.461 2.981 20 0 DFADRP C[C@@H]([NH2+]Cc1ccc(N2CC[NH+](C)CC2)nc1)c1ccsc1 ZINC000177827676 426527340 /nfs/dbraw/zinc/52/73/40/426527340.db2.gz KTDHJQVYRLGJMC-CQSZACIVSA-N 2 0 316.474 2.746 20 0 DFADRP CCO[C@@H]1C[C@H]([NH2+]CC[C@@H](C)[NH+]2CCCCC2)C12CCOCC2 ZINC000186502461 426539729 /nfs/dbraw/zinc/53/97/29/426539729.db2.gz OOTRVGDMMUUDFR-FGTMMUONSA-N 2 0 324.509 2.815 20 0 DFADRP O[C@H](C[NH2+][C@@H]1CC=C(c2ccc(F)cc2)CC1)C[NH+]1CCCC1 ZINC000272526071 426549610 /nfs/dbraw/zinc/54/96/10/426549610.db2.gz OFWIFMROPWQJSJ-RTBURBONSA-N 2 0 318.436 2.808 20 0 DFADRP C[C@H]([NH2+][C@@H]1CCCC[C@H]1O)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272537256 426551393 /nfs/dbraw/zinc/55/13/93/426551393.db2.gz RLMUSIKGXREWJD-JCHJZTRSSA-N 2 0 302.462 2.790 20 0 DFADRP COc1ccc([C@H](C)[NH2+][C@@H](C)CCN2CC[NH+](C)CC2)cc1F ZINC000186569753 426552751 /nfs/dbraw/zinc/55/27/51/426552751.db2.gz MKSFPGSCXWYNCN-GJZGRUSLSA-N 2 0 323.456 2.511 20 0 DFADRP COc1ccc([C@@H](C)[NH2+][C@@H](C)CCN2CC[NH+](C)CC2)cc1F ZINC000186569788 426553343 /nfs/dbraw/zinc/55/33/43/426553343.db2.gz MKSFPGSCXWYNCN-LSDHHAIUSA-N 2 0 323.456 2.511 20 0 DFADRP C[C@@H]1C[N@@H+](CCC2CC[NH+](CCOCC3CC3)CC2)C[C@H](C)O1 ZINC000177484570 426489133 /nfs/dbraw/zinc/48/91/33/426489133.db2.gz WJPKVXVRIMSXML-CALCHBBNSA-N 2 0 324.509 2.624 20 0 DFADRP C[NH+](C)Cc1ccc(CN[C@@H](c2ncc[nH]2)c2cccnc2)cc1 ZINC000194966825 426497249 /nfs/dbraw/zinc/49/72/49/426497249.db2.gz UOKNZXHVOTYDNF-GOSISDBHSA-N 2 0 321.428 2.746 20 0 DFADRP Cc1ccc2c(c1)[C@H]([NH2+][C@H](C)CCN1CC[NH+](C)CC1)CCC2 ZINC000186575498 426554126 /nfs/dbraw/zinc/55/41/26/426554126.db2.gz BCPXRLBSLDTZFK-YLJYHZDGSA-N 2 0 315.505 2.988 20 0 DFADRP CCCC[NH+]1CCC([NH2+][C@H]2C[C@@H](OCC)C23CCOCC3)CC1 ZINC000186293535 426500963 /nfs/dbraw/zinc/50/09/63/426500963.db2.gz BGFNHDMWKIULBI-ZWKOTPCHSA-N 2 0 324.509 2.815 20 0 DFADRP CC(C)c1nc([C@H](C)[NH2+]C[C@H](C)CN2CC[NH+](C)CC2)cs1 ZINC000186318476 426503127 /nfs/dbraw/zinc/50/31/27/426503127.db2.gz RGAXRWUGNVZGGI-GJZGRUSLSA-N 2 0 324.538 2.801 20 0 DFADRP C[C@H]([NH2+]Cc1ccnc(N2CC[NH+](C)CC2)c1)c1ccsc1 ZINC000178120284 426574378 /nfs/dbraw/zinc/57/43/78/426574378.db2.gz ODFZFZRTKTUAOZ-AWEZNQCLSA-N 2 0 316.474 2.746 20 0 DFADRP Cc1cccc(CC2(O)CC[NH+](CC[C@H]3CCC[N@H+]3C)CC2)c1 ZINC000280592209 426608790 /nfs/dbraw/zinc/60/87/90/426608790.db2.gz UIYYEVYKDQCKKF-LJQANCHMSA-N 2 0 316.489 2.849 20 0 DFADRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@@H](C)c1ccc2c(c1)CCO2 ZINC000178377763 426618217 /nfs/dbraw/zinc/61/82/17/426618217.db2.gz XEEXOKCJFGQFLI-WMLDXEAASA-N 2 0 306.450 2.629 20 0 DFADRP [NH3+]C[C@H]1CCC[C@H]1[NH2+]CCc1ccc(Br)s1 ZINC000226373065 426619694 /nfs/dbraw/zinc/61/96/94/426619694.db2.gz HPNPMGYHCOGBNM-MWLCHTKSSA-N 2 0 303.269 2.770 20 0 DFADRP CC(C)c1nc([C@H](C)[NH2+][C@@H](C)CCN2CC[NH+](C)CC2)cs1 ZINC000186583104 426556206 /nfs/dbraw/zinc/55/62/06/426556206.db2.gz LUCDOTSUPAFRKY-GJZGRUSLSA-N 2 0 324.538 2.943 20 0 DFADRP CCC[N@H+](CC)Cc1ccc(C(=O)N2C[C@H](C)[NH2+]C[C@@H]2C)cc1 ZINC000272560681 426558474 /nfs/dbraw/zinc/55/84/74/426558474.db2.gz NRAGFUQEPSASNH-HOTGVXAUSA-N 2 0 317.477 2.741 20 0 DFADRP O[C@H](C[NH2+]CC1CCC(C(F)(F)F)CC1)C[NH+]1CCCCC1 ZINC000186603537 426560517 /nfs/dbraw/zinc/56/05/17/426560517.db2.gz CPRYQFBGYNZODW-YMAMQOFZSA-N 2 0 322.415 2.792 20 0 DFADRP Cc1cc(C)cc([C@@H](C)[NH2+][C@@H](C)CCN2CC[NH+](C)CC2)c1 ZINC000186602097 426561466 /nfs/dbraw/zinc/56/14/66/426561466.db2.gz NIHAOCKDXVLREJ-ZWKOTPCHSA-N 2 0 303.494 2.980 20 0 DFADRP Cc1cc(C)cc([C@H](C)[NH2+][C@@H](C)CCN2CC[NH+](C)CC2)c1 ZINC000186602114 426561624 /nfs/dbraw/zinc/56/16/24/426561624.db2.gz NIHAOCKDXVLREJ-ROUUACIJSA-N 2 0 303.494 2.980 20 0 DFADRP C[N@H+](CCC(=O)Nc1cccc(Cl)c1)[C@@H]1CCC[NH2+]CC1 ZINC000231669679 426650537 /nfs/dbraw/zinc/65/05/37/426650537.db2.gz SKVDCKFUWHAQJI-OAHLLOKOSA-N 2 0 309.841 2.743 20 0 DFADRP Cc1ccc(NC(=O)CN(C)[C@@H]2CCC[NH2+]CC2)cc1Cl ZINC000231669397 426650926 /nfs/dbraw/zinc/65/09/26/426650926.db2.gz FMASKMRJNOWXQL-CQSZACIVSA-N 2 0 309.841 2.661 20 0 DFADRP C[C@@H]1C[C@H](C[NH2+]Cc2ccc(Br)s2)CC[NH2+]1 ZINC000235381767 426661348 /nfs/dbraw/zinc/66/13/48/426661348.db2.gz LNBZSMGJYGDRSQ-NXEZZACHSA-N 2 0 303.269 2.988 20 0 DFADRP CC[C@H]1[NH2+]CC[C@H]1C(=O)Nc1ccc(CC[NH+]2CCCC2)cc1 ZINC000289469441 426665886 /nfs/dbraw/zinc/66/58/86/426665886.db2.gz ASTRNBLGSKLLOQ-QZTJIDSGSA-N 2 0 315.461 2.652 20 0 DFADRP CC[C@]1(C[NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)OCCc2ccccc21 ZINC000289614771 426670959 /nfs/dbraw/zinc/67/09/59/426670959.db2.gz DGUOEJCTIULMEA-HHXXYDBFSA-N 2 0 302.462 2.937 20 0 DFADRP CC(C)[N@H+](C)Cc1cccc(CNC(=O)[C@]2(C)CCCC[NH2+]2)c1 ZINC000236664748 426672349 /nfs/dbraw/zinc/67/23/49/426672349.db2.gz UZVTYEKBZHRYNV-IBGZPJMESA-N 2 0 317.477 2.675 20 0 DFADRP C[C@@H](CC(=O)NCCCC[NH+]1CCC(C)CC1)[C@H]1CCC[NH2+]C1 ZINC000236696565 426677189 /nfs/dbraw/zinc/67/71/89/426677189.db2.gz GMHAPICGHNQQPS-ROUUACIJSA-N 2 0 323.525 2.641 20 0 DFADRP C[C@@H](CC(=O)NCCCC[NH+]1CCC(C)CC1)[C@@H]1CCC[NH2+]C1 ZINC000236696536 426677478 /nfs/dbraw/zinc/67/74/78/426677478.db2.gz GMHAPICGHNQQPS-ZWKOTPCHSA-N 2 0 323.525 2.641 20 0 DFADRP CC(C)[C@@H](C[NH2+]Cc1cccc2cc[nH]c21)N1CC[NH+](C)CC1 ZINC000236698808 426677616 /nfs/dbraw/zinc/67/76/16/426677616.db2.gz VRRMTHXVEHYJCL-GOSISDBHSA-N 2 0 314.477 2.530 20 0 DFADRP CC(C)C[C@H]([NH3+])C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000236731139 426680319 /nfs/dbraw/zinc/68/03/19/426680319.db2.gz DDLUMGJIEHVIOV-SZMVWBNQSA-N 2 0 317.477 2.529 20 0 DFADRP COCCOc1ccc([C@H](C)[NH2+]CCC[NH+]2CCCC2)cc1 ZINC000178412558 426625321 /nfs/dbraw/zinc/62/53/21/426625321.db2.gz MXKIBJJDBBYKNC-INIZCTEOSA-N 2 0 306.450 2.848 20 0 DFADRP FC(F)(F)SCC[NH2+]C1CCN(Cc2cccnc2)CC1 ZINC000178420272 426625838 /nfs/dbraw/zinc/62/58/38/426625838.db2.gz BNTITTIWEGCWJG-UHFFFAOYSA-N 2 0 319.396 2.889 20 0 DFADRP COCCN(C)CC[NH2+][C@@H]1CCCSc2ccc(OC)cc21 ZINC000187932300 426708325 /nfs/dbraw/zinc/70/83/25/426708325.db2.gz TYBCCCAFAGPGSW-MRXNPFEDSA-N 2 0 324.490 2.790 20 0 DFADRP COC[C@H]([NH2+]C1CC[NH+](C2CCCCC2)CC1)C1CCOCC1 ZINC000188103242 426721372 /nfs/dbraw/zinc/72/13/72/426721372.db2.gz WCHSOJLOADPPQC-IBGZPJMESA-N 2 0 324.509 2.815 20 0 DFADRP CN(Cc1cccc(C(F)(F)F)c1)C[C@@H](O)C[N@H+](C)C1CC1 ZINC000290095047 426691480 /nfs/dbraw/zinc/69/14/80/426691480.db2.gz WDQJVWRPXBRQIN-OAHLLOKOSA-N 2 0 316.367 2.592 20 0 DFADRP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)[C@@H](C)[C@@H]([NH3+])c1ccccc1 ZINC000237548889 426693300 /nfs/dbraw/zinc/69/33/00/426693300.db2.gz RPOAMUVPMFDQKO-MUQADHOPSA-N 2 0 317.477 2.559 20 0 DFADRP Cc1ccc(-c2ccc(C[NH2+]CC3(O)CC[NH+](C)CC3)o2)cc1 ZINC000265819635 426696947 /nfs/dbraw/zinc/69/69/47/426696947.db2.gz AQZYQECEJPZWRO-UHFFFAOYSA-N 2 0 314.429 2.801 20 0 DFADRP [NH3+]CCCCCCC(=O)N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000237972284 426701368 /nfs/dbraw/zinc/70/13/68/426701368.db2.gz DNJISIRSPBFEEZ-UHFFFAOYSA-N 2 0 317.477 2.630 20 0 DFADRP [NH3+][C@H](CC(=O)N1CCC[N@@H+](C2CCCC2)CC1)c1ccccc1 ZINC000178818228 426701703 /nfs/dbraw/zinc/70/17/03/426701703.db2.gz TZNZLJOSDXGNAF-GOSISDBHSA-N 2 0 315.461 2.553 20 0 DFADRP CC(=O)Nc1ccccc1C[N@H+]1CC[C@H](C2CC[NH+](C)CC2)C1 ZINC000290445969 426767259 /nfs/dbraw/zinc/76/72/59/426767259.db2.gz MCIIIAAPVCDROP-KRWDZBQOSA-N 2 0 315.461 2.809 20 0 DFADRP C[C@@H]([NH2+]CCCC[N@@H+]1CCC[C@H]1CO)c1ccc(F)c(F)c1 ZINC000266743431 426770914 /nfs/dbraw/zinc/77/09/14/426770914.db2.gz ABHSSVKRULZEMU-HIFRSBDPSA-N 2 0 312.404 2.852 20 0 DFADRP CC[N@H+](C)[C@H](C(=O)N(C)CCC[NH+]1CCCC1)c1ccccc1 ZINC000281832929 426774684 /nfs/dbraw/zinc/77/46/84/426774684.db2.gz WNVCXTUPBQGYLA-SFHVURJKSA-N 2 0 317.477 2.624 20 0 DFADRP C[C@@H]1CCC[C@H]([NH+]2CCC([NH2+]CCOCC(F)F)CC2)C1 ZINC000188746303 426784037 /nfs/dbraw/zinc/78/40/37/426784037.db2.gz RVTFYMAWGSIZNF-HIFRSBDPSA-N 2 0 304.425 2.901 20 0 DFADRP Cn1cnc2cc(C[N@@H+]3CC[C@@H](C4CC[NH+](C)CC4)C3)ccc21 ZINC000290530996 426785124 /nfs/dbraw/zinc/78/51/24/426785124.db2.gz QRYNTBJRLPKEIA-QGZVFWFLSA-N 2 0 312.461 2.737 20 0 DFADRP CC1(C)[C@H]([NH2+]C[C@@H](O)C[NH+]2CCCC2)C[C@@H]1c1ccccc1 ZINC000274263318 426732433 /nfs/dbraw/zinc/73/24/33/426732433.db2.gz KUMSRKWKPMHBOT-KZNAEPCWSA-N 2 0 302.462 2.615 20 0 DFADRP CC[NH+](CC)CCCC1CC[NH+](C[C@H](O)CSC)CC1 ZINC000188255422 426736774 /nfs/dbraw/zinc/73/67/74/426736774.db2.gz FWKRREXZIYRHQT-INIZCTEOSA-N 2 0 302.528 2.544 20 0 DFADRP CCC[N@H+](CCC[NH+](C)C)Cc1ccc(-n2cncn2)c(C)c1 ZINC000290312194 426739032 /nfs/dbraw/zinc/73/90/32/426739032.db2.gz CGCZBSLDDCKBNO-UHFFFAOYSA-N 2 0 315.465 2.739 20 0 DFADRP CCCC[N@H+](C)C[C@@H](C)NC(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000290359986 426749225 /nfs/dbraw/zinc/74/92/25/426749225.db2.gz JOYCDFSRVASQNI-OAHLLOKOSA-N 2 0 320.481 2.990 20 0 DFADRP Cc1cc(N2CCC(C[NH+]3C[C@H](C)O[C@@H](C)C3)CC2)cc[nH+]1 ZINC000274355043 426750737 /nfs/dbraw/zinc/75/07/37/426750737.db2.gz LPAFUGNXXMYVHU-HOTGVXAUSA-N 2 0 303.450 2.716 20 0 DFADRP CC(C)[C@@H](C[NH2+][C@H](C)c1ccc(Cl)nc1)N1CC[NH+](C)CC1 ZINC000179102354 426752502 /nfs/dbraw/zinc/75/25/02/426752502.db2.gz PIEZMMAKSZQOQO-GDBMZVCRSA-N 2 0 324.900 2.658 20 0 DFADRP Cc1nccn1CCC[N@@H+](C)Cc1ccc(N(C)C(C)C)nc1 ZINC000290419738 426760349 /nfs/dbraw/zinc/76/03/49/426760349.db2.gz KOQWYIJBASMHGC-UHFFFAOYSA-N 2 0 315.465 2.953 20 0 DFADRP C[C@@H](O)[C@@](C)(C[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1)Cc1ccccc1 ZINC000188902085 426798168 /nfs/dbraw/zinc/79/81/68/426798168.db2.gz OXGFUDFMGQIQAQ-QFHJOOASSA-N 2 0 304.478 2.689 20 0 DFADRP C[C@H]1C[N@H+](C)CC[C@@H]1N(C)Cc1csc(-c2ccccn2)n1 ZINC000290588990 426800233 /nfs/dbraw/zinc/80/02/33/426800233.db2.gz VDIMJXDEZYOAHR-BBRMVZONSA-N 2 0 316.474 2.977 20 0 DFADRP COCc1ccc(C[N@@H+]2CC[C@H](C3CC[NH+](C)CC3)C2)cc1 ZINC000290664213 426815167 /nfs/dbraw/zinc/81/51/67/426815167.db2.gz ZXCWZDVYNNGNDH-IBGZPJMESA-N 2 0 302.462 2.997 20 0 DFADRP CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC000246302928 426818196 /nfs/dbraw/zinc/81/81/96/426818196.db2.gz ARRADPMDIJOXLM-ROUUACIJSA-N 2 0 323.525 2.735 20 0 DFADRP C[N@H+](Cc1ccccc1)CC(C)(C)C[NH2+]C[C@]1(O)CCSC1 ZINC000267104243 426825118 /nfs/dbraw/zinc/82/51/18/426825118.db2.gz XCRGHQUNJZAIOR-GOSISDBHSA-N 2 0 322.518 2.602 20 0 DFADRP COc1ccc([C@H]([NH2+]CC2CC[NH+](CCO)CC2)C(C)C)cc1 ZINC000180099741 426834744 /nfs/dbraw/zinc/83/47/44/426834744.db2.gz DAGRHGCUODFBMG-LJQANCHMSA-N 2 0 320.477 2.686 20 0 DFADRP O[C@H](Cc1ccccc1)C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000246468647 426837026 /nfs/dbraw/zinc/83/70/26/426837026.db2.gz FVYGLUJEYNXFLD-DFQSSKMNSA-N 2 0 314.473 2.539 20 0 DFADRP CC[N@@H+]1CC[C@@H]([NH+](C)CCc2ccc3c(c2)CCO3)[C@@H](C)C1 ZINC000246477711 426837107 /nfs/dbraw/zinc/83/71/07/426837107.db2.gz HIQJSEDGURJEEI-MAUKXSAKSA-N 2 0 302.462 2.826 20 0 DFADRP C[N@@H+]1CCN(CC[NH2+][C@@H]2CCC[C@@H]2c2ccccc2)CC1(C)C ZINC000282141660 426837856 /nfs/dbraw/zinc/83/78/56/426837856.db2.gz CCCMWIWUFJMWMQ-RTBURBONSA-N 2 0 315.505 2.938 20 0 DFADRP C[C@@H](CC[NH2+]CCN1CC[N@H+](C)C(C)(C)C1)c1ccccc1 ZINC000282167521 426844749 /nfs/dbraw/zinc/84/47/49/426844749.db2.gz DTAOSWWRIQQZCO-KRWDZBQOSA-N 2 0 303.494 2.796 20 0 DFADRP COCC[C@@H]1CCC[C@@H]1[NH2+]C1CCN(Cc2ccncc2)CC1 ZINC000282189647 426848076 /nfs/dbraw/zinc/84/80/76/426848076.db2.gz NFNOXKGCNUFJNL-HKUYNNGSSA-N 2 0 317.477 2.841 20 0 DFADRP CCN1CC[NH+](C[C@H](C)CNc2cc[nH+]c3ccccc23)CC1 ZINC000189442191 426856307 /nfs/dbraw/zinc/85/63/07/426856307.db2.gz RUGAFHDYHUDFDU-MRXNPFEDSA-N 2 0 312.461 2.920 20 0 DFADRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+]C1CC(c2cccc(F)c2)C1 ZINC000274583082 426794869 /nfs/dbraw/zinc/79/48/69/426794869.db2.gz CTBFKTUFVGOUJX-LSJNQWAISA-N 2 0 319.468 2.687 20 0 DFADRP C[C@H](CC(N)=O)[NH2+]Cc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000267285572 426863960 /nfs/dbraw/zinc/86/39/60/426863960.db2.gz WIXUWDRDIOUIKE-OAHLLOKOSA-N 2 0 317.477 2.805 20 0 DFADRP C[N@@H+]1CCN(CC[NH2+][C@@H]2CCCc3cc(F)ccc32)CC1(C)C ZINC000282267380 426866056 /nfs/dbraw/zinc/86/60/56/426866056.db2.gz KIAUKCVFRJCNLI-GOSISDBHSA-N 2 0 319.468 2.819 20 0 DFADRP C[N@H+](CCOCC(F)F)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000189482831 426866671 /nfs/dbraw/zinc/86/66/71/426866671.db2.gz ZQYDJROIEIIJGV-INIZCTEOSA-N 2 0 312.404 2.722 20 0 DFADRP COc1ccccc1N1CC[C@H]([NH2+][C@@H]2C[C@@H](C)[N@H+](C)C[C@H]2C)C1 ZINC000246851236 426872577 /nfs/dbraw/zinc/87/25/77/426872577.db2.gz CAVRXJXFPKIDMT-WCXIOVBPSA-N 2 0 317.477 2.592 20 0 DFADRP CN(C)c1cc(NC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)ccn1 ZINC000267331508 426874632 /nfs/dbraw/zinc/87/46/32/426874632.db2.gz JDGBWQITUWZHMH-CQSZACIVSA-N 2 0 316.449 2.741 20 0 DFADRP C[C@H]([NH2+][C@H]1CCCC[C@H]1CO)c1ccc(OCC[NH+](C)C)cc1 ZINC000305106342 426878984 /nfs/dbraw/zinc/87/89/84/426878984.db2.gz DDENMNBBNKOYIB-IEZWGBDMSA-N 2 0 320.477 2.829 20 0 DFADRP C[C@@H]1C[C@H]([NH2+]C[C@H]2CCN(c3ccc(F)cc3)C2)CC[N@@H+]1C ZINC000246947538 426883372 /nfs/dbraw/zinc/88/33/72/426883372.db2.gz HXXGADDQAFIHTP-BFYDXBDKSA-N 2 0 305.441 2.724 20 0 DFADRP CC[C@@H]([NH2+][C@H](C)CCN1CC[NH+](C)CC1)c1cccc(F)c1 ZINC000275673694 426892919 /nfs/dbraw/zinc/89/29/19/426892919.db2.gz HNAXWMRUEWOBGD-CRAIPNDOSA-N 2 0 307.457 2.892 20 0 DFADRP C[C@@](O)(C[NH2+]C1CC[NH+](C2CCCC2)CC1)c1ccsc1 ZINC000305192846 426895814 /nfs/dbraw/zinc/89/58/14/426895814.db2.gz YPXXRSMMCGRNCV-QGZVFWFLSA-N 2 0 308.491 2.952 20 0 DFADRP c1cc([C@H]2OCCC[C@@H]2[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)ccn1 ZINC000275690977 426900156 /nfs/dbraw/zinc/90/01/56/426900156.db2.gz WYGLXIFEBBGNSA-ZJPYXAASSA-N 2 0 301.434 2.518 20 0 DFADRP CC[C@@H]1C[NH+](CCCC[N@H+]2C[C@@H](CC)O[C@@H](C)C2)C[C@@H](C)O1 ZINC000247080036 426902472 /nfs/dbraw/zinc/90/24/72/426902472.db2.gz SYZIPMKQUBECGI-XMTFNYHQSA-N 2 0 312.498 2.765 20 0 DFADRP C[C@H](c1cccnc1)N1CCN(CC[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000268071361 426906935 /nfs/dbraw/zinc/90/69/35/426906935.db2.gz CKZXMHDDMYXICD-MJGOQNOKSA-N 2 0 316.493 2.635 20 0 DFADRP C[N@@H+]1CCN(CC[NH2+]Cc2c(F)cccc2Cl)CC1(C)C ZINC000282428873 426910911 /nfs/dbraw/zinc/91/09/11/426910911.db2.gz REJDLKITYLZTHR-UHFFFAOYSA-N 2 0 313.848 2.595 20 0 DFADRP C[C@H]1C[N@H+](C)CC[C@@H]1NC1CC[NH+](CCc2ccccc2)CC1 ZINC000323623271 426974699 /nfs/dbraw/zinc/97/46/99/426974699.db2.gz DCDZKBSMMSABNN-PXNSSMCTSA-N 2 0 315.505 2.623 20 0 DFADRP CC[C@H]1CCCC[C@@H]1[NH2+]Cc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000181738580 426977056 /nfs/dbraw/zinc/97/70/56/426977056.db2.gz KURAPMYRMPAZSE-ROUUACIJSA-N 2 0 316.493 2.892 20 0 DFADRP CC[C@@H]1CCCC[C@@H]1[NH2+]Cc1cccnc1N1CC[NH+](C)CC1 ZINC000181743136 426980801 /nfs/dbraw/zinc/98/08/01/426980801.db2.gz BVOQVMYFORIQNI-AEFFLSMTSA-N 2 0 316.493 2.892 20 0 DFADRP C[C@@H](CC[NH2+]CCCc1cnn(C)c1)[N@H+](C)Cc1ccccc1 ZINC000314451059 426928196 /nfs/dbraw/zinc/92/81/96/426928196.db2.gz GEPYDLIDUFIIGB-KRWDZBQOSA-N 2 0 314.477 2.853 20 0 DFADRP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1[NH2+]C[C@H]1CCCO1 ZINC000276191443 427003168 /nfs/dbraw/zinc/00/31/68/427003168.db2.gz IHCQMYOMZRFFFG-JFIYKMOQSA-N 2 0 302.462 2.912 20 0 DFADRP CC(C)Oc1ccccc1C[NH2+]CC1(O)CC[NH+](C(C)C)CC1 ZINC000268436544 427016757 /nfs/dbraw/zinc/01/67/57/427016757.db2.gz QDVJWBAXCUKVCF-UHFFFAOYSA-N 2 0 320.477 2.799 20 0 DFADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]C2CC(OC(C)C)C2)[C@@H](C)C1 ZINC000248638965 427024270 /nfs/dbraw/zinc/02/42/70/427024270.db2.gz MPGJFCQUEKITHQ-FCCDEINASA-N 2 0 312.498 2.669 20 0 DFADRP CCC[C@H](C(=O)NCC(C)(C)[N@H+]1C[C@H](C)C[C@H](C)C1)[NH+](C)C ZINC000337948139 427054329 /nfs/dbraw/zinc/05/43/29/427054329.db2.gz KVUJEGXKRSHIJL-OWCLPIDISA-N 2 0 311.514 2.589 20 0 DFADRP CCC[NH+]1CCC([N@H+](C)C[C@@H](O)CCc2ccccc2)CC1 ZINC000182438403 427075137 /nfs/dbraw/zinc/07/51/37/427075137.db2.gz NMGSGYXTPKBOSA-IBGZPJMESA-N 2 0 304.478 2.786 20 0 DFADRP FCCC[C@@H]1CCC[C@H]1[NH2+]C1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000337991955 427080476 /nfs/dbraw/zinc/08/04/76/427080476.db2.gz QBBPWXKVZVUUPA-XYJFISCASA-N 2 0 312.473 2.995 20 0 DFADRP C[C@H]([NH3+])[C@H](C)C(=O)NCc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000249060682 427083861 /nfs/dbraw/zinc/08/38/61/427083861.db2.gz PFMJNQKMGBDBDS-PMPSAXMXSA-N 2 0 317.477 2.518 20 0 DFADRP C[C@@H](CCCC[NH3+])NC(=O)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000292097333 427088375 /nfs/dbraw/zinc/08/83/75/427088375.db2.gz OAMDRMBQHIFCAX-FUHWJXTLSA-N 2 0 317.477 2.532 20 0 DFADRP O[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+][C@H]2CC[C@@H]2C2CCC2)CC1 ZINC000338002029 427088419 /nfs/dbraw/zinc/08/84/19/427088419.db2.gz SSMRLEAMFYSPED-YDZRNGNQSA-N 2 0 306.494 2.923 20 0 DFADRP C[C@@H]1CCC[N@H+](CC(=O)NC[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC000249282433 427104238 /nfs/dbraw/zinc/10/42/38/427104238.db2.gz HCCWLAYELHOBGS-SJLPKXTDSA-N 2 0 317.477 2.528 20 0 DFADRP Cc1ccccc1[C@H]([NH3+])C(=O)NC[C@H](C1CCCCC1)[NH+](C)C ZINC000296196411 427108808 /nfs/dbraw/zinc/10/88/08/427108808.db2.gz YUZMCQLOKKDALX-MSOLQXFVSA-N 2 0 317.477 2.622 20 0 DFADRP CC[NH+](CC)CCOc1ccc(C[NH2+][C@@H](C)CCOC)cc1 ZINC000268775164 427111867 /nfs/dbraw/zinc/11/18/67/427111867.db2.gz NNDXQIRFEANRMW-INIZCTEOSA-N 2 0 308.466 2.922 20 0 DFADRP C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC000283987021 427112309 /nfs/dbraw/zinc/11/23/09/427112309.db2.gz PLQJXBUNKNUECH-CQSZACIVSA-N 2 0 314.433 2.575 20 0 DFADRP CC[NH+](CC)CCCN1CC[N@H+](C)[C@H](Cc2ccccc2)C1 ZINC000283999009 427113397 /nfs/dbraw/zinc/11/33/97/427113397.db2.gz DNADIEBIKSRYFG-LJQANCHMSA-N 2 0 303.494 2.577 20 0 DFADRP CC[NH+](CC)CCOc1ccccc1C[NH2+][C@H](C)[C@@H](C)OC ZINC000268789660 427115753 /nfs/dbraw/zinc/11/57/53/427115753.db2.gz UIALZYJAXCYZGP-HZPDHXFCSA-N 2 0 308.466 2.920 20 0 DFADRP COCC[N@H+](C)CCC[NH2+][C@@H](C)[C@H](C)c1ccc(OC)cc1 ZINC000268790966 427116446 /nfs/dbraw/zinc/11/64/46/427116446.db2.gz CZPNLEROKAVXGQ-HOTGVXAUSA-N 2 0 308.466 2.745 20 0 DFADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC[C@H]1CCC[NH+]1C ZINC000268795471 427119092 /nfs/dbraw/zinc/11/90/92/427119092.db2.gz HUCGMDJAFBCCKP-QRQLOZEOSA-N 2 0 301.478 2.581 20 0 DFADRP CNC(=O)C[C@H](C)[NH2+]Cc1ccccc1C[N@@H+]1CCC[C@H](C)C1 ZINC000268802785 427122718 /nfs/dbraw/zinc/12/27/18/427122718.db2.gz HXFRMGPBLKINQV-HOTGVXAUSA-N 2 0 317.477 2.533 20 0 DFADRP C[C@H]([NH2+]CCCN1CCN(c2cc[nH+]cc2)CC1)C(C)(C)C ZINC000268831996 427133629 /nfs/dbraw/zinc/13/36/29/427133629.db2.gz SLEWLONOBJQIHP-INIZCTEOSA-N 2 0 304.482 2.618 20 0 DFADRP C[N@@H+]1CC[C@]2(CC[NH+](C[C@H](O)Cc3ccc4ccccc4c3)C2)C1 ZINC000292220668 427136968 /nfs/dbraw/zinc/13/69/68/427136968.db2.gz UWLVGXHKBJTFNP-RTWAWAEBSA-N 2 0 324.468 2.771 20 0 DFADRP CSC[C@](C)(O)C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000268978017 427143085 /nfs/dbraw/zinc/14/30/85/427143085.db2.gz CJFYVTXHKKCCOL-RYQLBKOJSA-N 2 0 322.518 2.743 20 0 DFADRP C[C@H](C[NH2+][C@@H]1CCCc2cc(F)ccc21)CN1CC[NH+](C)CC1 ZINC000182823071 427152750 /nfs/dbraw/zinc/15/27/50/427152750.db2.gz QLSRIZZIZBHOTF-DNVCBOLYSA-N 2 0 319.468 2.676 20 0 DFADRP CC(C)[C@H](C[NH2+][C@H](c1ccccc1)C1CC1)N1CC[NH+](C)CC1 ZINC000132888033 271040588 /nfs/dbraw/zinc/04/05/88/271040588.db2.gz LZQVUZILDHSXBB-VQTJNVASSA-N 2 0 315.505 2.999 20 0 DFADRP COc1ccc2c(c1)C[C@@H]([NH2+]C[C@H](C)C[NH+]1CCCC1)CC2 ZINC000162602393 271085040 /nfs/dbraw/zinc/08/50/40/271085040.db2.gz CIEQWQVUBWLBIU-YJBOKZPZSA-N 2 0 302.462 2.874 20 0 DFADRP CC1CC[NH+](CCCNC(=O)[C@H]2CCCCCC[C@@H]2[NH3+])CC1 ZINC000163844705 271090792 /nfs/dbraw/zinc/09/07/92/271090792.db2.gz WRMCGAKXTZBRGA-IRXDYDNUSA-N 2 0 309.498 2.522 20 0 DFADRP CC[NH+]1CCC(CCNC(=O)[C@@H]2CCCCCC[C@H]2[NH3+])CC1 ZINC000168712167 271098035 /nfs/dbraw/zinc/09/80/35/271098035.db2.gz VKCYJPKYUFWRPU-IAGOWNOFSA-N 2 0 309.498 2.522 20 0 DFADRP CC[NH+](CC)[C@H]1CCN(C(=O)[C@H](c2ccccc2)[N@@H+](C)CC)C1 ZINC000174120138 271127107 /nfs/dbraw/zinc/12/71/07/271127107.db2.gz ADQRUICJLJALLW-ROUUACIJSA-N 2 0 317.477 2.622 20 0 DFADRP Cc1ccccc1[C@@H]([NH3+])C(=O)NCCCC[N@H+]1CCCC[C@H]1C ZINC000296383407 427164226 /nfs/dbraw/zinc/16/42/26/427164226.db2.gz KOVRIKZCOVZBGR-SJLPKXTDSA-N 2 0 317.477 2.766 20 0 DFADRP CC[N@H+](Cc1ccc(C(=O)NC[C@@H]([NH3+])C(C)C)cc1)C(C)C ZINC000269301975 427165553 /nfs/dbraw/zinc/16/55/53/427165553.db2.gz XSZXUKZJLVXFGQ-QGZVFWFLSA-N 2 0 305.466 2.630 20 0 DFADRP CC[C@H](C[NH2+]C1CC[NH+](C(C)C)CC1)NC(=O)OC(C)(C)C ZINC000227719290 271237855 /nfs/dbraw/zinc/23/78/55/271237855.db2.gz UWXHJJKTWRFLRP-CQSZACIVSA-N 2 0 313.486 2.752 20 0 DFADRP CC[NH+](CC)Cc1ccc(C(=O)N[C@@H]2CC[N@H+](C)[C@H](C)C2)cc1 ZINC000338170969 427168941 /nfs/dbraw/zinc/16/89/41/427168941.db2.gz BKRJRGXPWBVTSX-CRAIPNDOSA-N 2 0 317.477 2.741 20 0 DFADRP C[C@H]1CCCC[N@@H+]1Cc1ccc(NC(=O)[C@@]2(C)CC[NH2+]C2)cc1 ZINC000237527271 271250080 /nfs/dbraw/zinc/25/00/80/271250080.db2.gz NLLQZVXSMJFDQH-KXBFYZLASA-N 2 0 315.461 2.999 20 0 DFADRP C[C@@H]1CCC[N@H+](Cc2ccccc2CNC(=O)C(C)(C)C[NH3+])C1 ZINC000237553622 271250800 /nfs/dbraw/zinc/25/08/00/271250800.db2.gz WTJBOOIZZJDVMK-OAHLLOKOSA-N 2 0 317.477 2.520 20 0 DFADRP C[C@H]([NH3+])[C@H](C)C(=O)NC[C@H](c1ccccc1)[NH+]1CCC(C)CC1 ZINC000248971732 271264076 /nfs/dbraw/zinc/26/40/76/271264076.db2.gz DIRNCPWXEYFZOT-XYJFISCASA-N 2 0 317.477 2.559 20 0 DFADRP CC1CC[NH+](CCN2CC[N@H+](C)[C@@H](Cc3ccccc3)C2)CC1 ZINC000284915799 271341126 /nfs/dbraw/zinc/34/11/26/271341126.db2.gz XOPZDGHPAGHKAM-FQEVSTJZSA-N 2 0 315.505 2.577 20 0 DFADRP [NH3+]C[C@@H]1CC[C@@H]([NH2+]C2CCC3(CC2)c2ccccc2NC3=O)C1 ZINC000333860909 271397146 /nfs/dbraw/zinc/39/71/46/271397146.db2.gz SASRVUOJGCGTHT-PPXVZNSRSA-N 2 0 313.445 2.536 20 0 DFADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1[NH2+]CCCCNC(=O)OC(C)(C)C ZINC000183174613 427217687 /nfs/dbraw/zinc/21/76/87/427217687.db2.gz YWORHWFGJMLSMF-ILXRZTDVSA-N 2 0 313.486 2.610 20 0 DFADRP C[NH+](C)[C@H](CNC(=O)C[C@@H]([NH3+])c1ccccc1)c1ccsc1 ZINC000269528193 427217653 /nfs/dbraw/zinc/21/76/53/427217653.db2.gz VLSUFPLFAQNOEQ-HZPDHXFCSA-N 2 0 317.458 2.557 20 0 DFADRP CC[NH+](CC)Cc1ccc(C(=O)N2CC[N@H+](C)[C@H](C)[C@H]2C)cc1 ZINC000338174279 427172981 /nfs/dbraw/zinc/17/29/81/427172981.db2.gz DWQUNKVKJFDNDG-HZPDHXFCSA-N 2 0 317.477 2.693 20 0 DFADRP c1ccc(C[C@H](N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)c2cccnc2)nc1 ZINC000338211717 427194088 /nfs/dbraw/zinc/19/40/88/427194088.db2.gz JINMYVHYTXBXHN-AABGKKOBSA-N 2 0 322.456 2.977 20 0 DFADRP CC[N@@H+]1CC[C@H](C[NH2+][C@H](Cc2ccccn2)c2cccnc2)C1 ZINC000338218761 427198381 /nfs/dbraw/zinc/19/83/81/427198381.db2.gz WBGLJKWQOZSQPF-VQIMIIECSA-N 2 0 310.445 2.692 20 0 DFADRP CC1(C[NH2+][C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)COC1 ZINC000183141351 427211380 /nfs/dbraw/zinc/21/13/80/427211380.db2.gz BXRDSAIHPOVZNF-CEXWTWQISA-N 2 0 314.473 2.913 20 0 DFADRP C[C@H]1C[C@H]([NH2+]CCc2cccc(C(F)(F)F)n2)CN1C1CC1 ZINC000293131633 427220950 /nfs/dbraw/zinc/22/09/50/427220950.db2.gz ZTYGEAAYJFOVPJ-AAEUAGOBSA-N 2 0 313.367 2.858 20 0 DFADRP C[C@@H]([NH2+][C@@H]1CCCOCC1)c1ccc(OCC[NH+](C)C)cc1 ZINC000183345746 427251176 /nfs/dbraw/zinc/25/11/76/427251176.db2.gz LXXUNFUXYHJLLV-NVXWUHKLSA-N 2 0 306.450 2.847 20 0 DFADRP CC(C)[C@@H](C[NH2+]Cc1ccc2occc2c1)N1CC[NH+](C)CC1 ZINC000285502136 427252095 /nfs/dbraw/zinc/25/20/95/427252095.db2.gz QDARNRAOYUPOHD-GOSISDBHSA-N 2 0 315.461 2.794 20 0 DFADRP CC[NH+](CC)CCCN1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000338341121 427266903 /nfs/dbraw/zinc/26/69/03/427266903.db2.gz CTFDCSWCUWAMLF-BGYRXZFFSA-N 3 0 315.505 2.782 20 0 DFADRP C[C@@H]([NH2+]CCC[NH+]1CCCC1)c1ccc(C(=O)N(C)C)cc1 ZINC000293308066 427283420 /nfs/dbraw/zinc/28/34/20/427283420.db2.gz IBUZCZJWFNCNHM-OAHLLOKOSA-N 2 0 303.450 2.525 20 0 DFADRP C[C@H](C[NH2+][C@H](C)c1csc(Cl)c1)N1CC[NH+](C)CC1 ZINC000191268844 427303319 /nfs/dbraw/zinc/30/33/19/427303319.db2.gz VHACMYKITAGJRK-VXGBXAGGSA-N 2 0 301.887 2.688 20 0 DFADRP C[C@H](CCCC[NH3+])NC(=O)c1cccc(C[NH+]2CCCC2)c1 ZINC000293413779 427317354 /nfs/dbraw/zinc/31/73/54/427317354.db2.gz NGVRIIVCTYNRNX-OAHLLOKOSA-N 2 0 303.450 2.530 20 0 DFADRP c1ccc2c(c1)OC[C@H](C[NH2+][C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1)O2 ZINC000261655459 427337962 /nfs/dbraw/zinc/33/79/62/427337962.db2.gz FSXPECMHCAFIJO-MWDXBVQZSA-N 2 0 316.445 2.727 20 0 DFADRP C[C@H](C[NH2+]C1c2ccccc2-c2ccccc21)N1CC[NH+](C)CC1 ZINC000183795938 427341805 /nfs/dbraw/zinc/34/18/05/427341805.db2.gz AHMMEXSJOQOKBQ-MRXNPFEDSA-N 2 0 321.468 2.982 20 0 DFADRP COc1cccc(CN2CC[C@@]3(C2)CCC[N@H+](C)C3)c1OC ZINC000293617429 427382819 /nfs/dbraw/zinc/38/28/19/427382819.db2.gz KLTCVTOMKYRART-SFHVURJKSA-N 2 0 304.434 2.622 20 0 DFADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]CCc1cccc(C(F)(F)F)n1 ZINC000293635029 427390874 /nfs/dbraw/zinc/39/08/74/427390874.db2.gz GUTIYFXLAXKEBD-BZPMIXESSA-N 2 0 315.383 2.961 20 0 DFADRP c1c(CNCc2cccc(C[NH+]3CCCC3)c2)nc2ncccn12 ZINC000297308034 427397974 /nfs/dbraw/zinc/39/79/74/427397974.db2.gz BMFYCJDNHLXOLA-UHFFFAOYSA-N 2 0 321.428 2.615 20 0 DFADRP C[C@@H]1[C@@H]([NH2+]CCCn2ccnc2)CCCN1Cc1ccccc1 ZINC000293675603 427402443 /nfs/dbraw/zinc/40/24/43/427402443.db2.gz JZJLFNVFNFTURK-MJGOQNOKSA-N 3 0 312.461 2.916 20 0 DFADRP C[C@H](C[NH2+][C@H](C)c1ccc(NC(=O)NC2CC2)cc1)C[NH+](C)C ZINC000293824179 427449651 /nfs/dbraw/zinc/44/96/51/427449651.db2.gz WFXFLTZEVQNURH-ZIAGYGMSSA-N 2 0 318.465 2.819 20 0 DFADRP C[C@H](CC(=O)Nc1cccc(Cl)c1)[NH2+]C[C@H](C)C[NH+](C)C ZINC000293824260 427451115 /nfs/dbraw/zinc/45/11/15/427451115.db2.gz WGWRKEFWMHSBLK-QWHCGFSZSA-N 2 0 311.857 2.844 20 0 DFADRP CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)C[C@H](C)[C@H]1CCC[NH2+]C1 ZINC000263292932 427453722 /nfs/dbraw/zinc/45/37/22/427453722.db2.gz XDVJPBXDDARUKI-OKZBNKHCSA-N 2 0 323.525 2.783 20 0 DFADRP Cc1c[nH+]ccc1N1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000191980323 427455783 /nfs/dbraw/zinc/45/57/83/427455783.db2.gz FBXBHGFVHYBOHX-IYBDPMFKSA-N 2 0 303.450 2.716 20 0 DFADRP COC[C@@H]([NH2+]C1CCN(c2cc[nH+]cc2)CC1)c1ccco1 ZINC000297790254 427456788 /nfs/dbraw/zinc/45/67/88/427456788.db2.gz WTYDRUJYJUFMET-MRXNPFEDSA-N 2 0 301.390 2.621 20 0 DFADRP COC(=O)[C@H]1CCC[N@H+](Cc2ccc(-n3ccnc3)cc2C)C1 ZINC000191985107 427457544 /nfs/dbraw/zinc/45/75/44/427457544.db2.gz XUXPJMACZDCBDU-INIZCTEOSA-N 2 0 313.401 2.566 20 0 DFADRP Cc1cncc([C@H](C)[NH2+]Cc2ccnc(OCC[NH+](C)C)c2)c1 ZINC000184424890 427458959 /nfs/dbraw/zinc/45/89/59/427458959.db2.gz MYFCEKACVBILDG-HNNXBMFYSA-N 2 0 314.433 2.576 20 0 DFADRP C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)C[C@H]([NH3+])c1ccccc1 ZINC000263365611 427471775 /nfs/dbraw/zinc/47/17/75/427471775.db2.gz VXRKPDXPELYZBF-AEFFLSMTSA-N 2 0 317.477 2.847 20 0 DFADRP C[C@H]([NH3+])[C@H](C)C(=O)NCc1cccc(C[NH+]2CCC(C)CC2)c1 ZINC000192104346 427480191 /nfs/dbraw/zinc/48/01/91/427480191.db2.gz VRBWDPIUNHAQSL-HOTGVXAUSA-N 2 0 317.477 2.518 20 0 DFADRP C[C@@H](C(=O)Nc1ccc(C[NH+]2CCC(C)CC2)cc1)[C@H](C)[NH3+] ZINC000192093985 427481043 /nfs/dbraw/zinc/48/10/43/427481043.db2.gz ICLBTNPJFVFSHC-CABCVRRESA-N 2 0 303.450 2.840 20 0 DFADRP C[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+][C@@H]2CCC(=O)NC2(C)C)CC1 ZINC000338775849 427483263 /nfs/dbraw/zinc/48/32/63/427483263.db2.gz QWBOSVPEKUAHFU-DJIMGWMZSA-N 2 0 321.509 2.676 20 0 DFADRP CC(C)[N@@H+]1CCC[C@H](CNC(=O)CC2(C[NH3+])CCCCC2)C1 ZINC000184229301 427420482 /nfs/dbraw/zinc/42/04/82/427420482.db2.gz FFADQAZVAKASIL-MRXNPFEDSA-N 2 0 309.498 2.522 20 0 DFADRP CC[C@H]1CCCC[N@@H+]1CCNC(=O)CC1(C[NH3+])CCCCC1 ZINC000184238688 427422646 /nfs/dbraw/zinc/42/26/46/427422646.db2.gz VAFMKNMKGUDGDC-INIZCTEOSA-N 2 0 309.498 2.666 20 0 DFADRP C[N@@H+]1CCC[C@@]2(CC[NH+](CCCc3ccc4c(c3)CCO4)C2)C1 ZINC000293778167 427432216 /nfs/dbraw/zinc/43/22/16/427432216.db2.gz ZBDZWDXGABQHCU-HXUWFJFHSA-N 2 0 314.473 2.972 20 0 DFADRP C[C@H]1C[C@@H](CC[NH2+]C2CCN(c3cc[nH+]cc3)CC2)CCO1 ZINC000297698002 427433896 /nfs/dbraw/zinc/43/38/96/427433896.db2.gz QFOBWRPLHMJGPC-HOTGVXAUSA-N 2 0 303.450 2.845 20 0 DFADRP Cc1cncc([C@H](C)[NH2+]CCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000184325327 427437683 /nfs/dbraw/zinc/43/76/83/427437683.db2.gz JYERLNJRTNSYEV-BBWFWOEESA-N 2 0 305.466 2.930 20 0 DFADRP CC[NH+]1CCC(CC[NH2+][C@H]2COc3ccc(OC)cc3C2)CC1 ZINC000297741369 427442087 /nfs/dbraw/zinc/44/20/87/427442087.db2.gz OAANOYAKVSRRRI-QGZVFWFLSA-N 2 0 318.461 2.710 20 0 DFADRP COc1ccc([C@H](C)[C@H](C)[NH2+]C[C@@H](C)C[NH+](C)C)cc1OC ZINC000293815202 427447053 /nfs/dbraw/zinc/44/70/53/427447053.db2.gz VTJQGOKTGYZFLS-KFWWJZLASA-N 2 0 308.466 2.983 20 0 DFADRP COCC[N@H+](C)CCCC1CC[NH+]([C@H](C)c2cnccn2)CC1 ZINC000184704739 427521920 /nfs/dbraw/zinc/52/19/20/427521920.db2.gz NLTUAXNGUQOWAN-MRXNPFEDSA-N 2 0 320.481 2.608 20 0 DFADRP Cc1nccc(N2CCN(Cc3ccc([C@@H]4C[C@H]4C)o3)CC2)n1 ZINC000184769343 427534869 /nfs/dbraw/zinc/53/48/69/427534869.db2.gz UMDZFHOYTMTBCH-CZUORRHYSA-N 2 0 312.417 2.824 20 0 DFADRP CC1(C)C[C@H]([NH2+][C@@H]2CCCC[C@H]2C[NH3+])c2cc(N)ccc2O1 ZINC000332190384 427539670 /nfs/dbraw/zinc/53/96/70/427539670.db2.gz CIWFSRHFFLBLTJ-MAZHCROVSA-N 2 0 303.450 2.978 20 0 DFADRP COC(=O)C1CCC([NH2+]C[C@H](C)N(C)Cc2ccccc2)CC1 ZINC000192442299 427540568 /nfs/dbraw/zinc/54/05/68/427540568.db2.gz HVXOOHZCIJYRQR-ZLPCBKJTSA-N 2 0 318.461 2.828 20 0 DFADRP Cc1n[nH]cc1C[NH2+][C@@H](C)c1ccc(OCC[NH+](C)C)cc1 ZINC000271450603 427541133 /nfs/dbraw/zinc/54/11/33/427541133.db2.gz FRTIVNGSVICAMC-ZDUSSCGKSA-N 2 0 302.422 2.509 20 0 DFADRP COC[C@H]([NH2+]C1CCN(c2cc[nH+]cc2)CC1)c1ccc(C)o1 ZINC000294083649 427541727 /nfs/dbraw/zinc/54/17/27/427541727.db2.gz AMKDSMMSLITEAS-KRWDZBQOSA-N 2 0 315.417 2.929 20 0 DFADRP Cc1nccn1C[C@@H](C)C[NH2+]Cc1ccnn1-c1ccccc1 ZINC000279069710 427547907 /nfs/dbraw/zinc/54/79/07/427547907.db2.gz FYYHXSPACVWCJA-HNNXBMFYSA-N 2 0 309.417 2.803 20 0 DFADRP Cc1cc(NC[C@H](c2ccccc2)N2CCOCC2)nc(C)n1 ZINC000298269749 427553168 /nfs/dbraw/zinc/55/31/68/427553168.db2.gz CQQBXGSTGXCXTD-QGZVFWFLSA-N 2 0 312.417 2.579 20 0 DFADRP Cc1ccn2cc(C[NH2+]C3CCN(c4cc[nH+]cc4)CC3)nc2c1 ZINC000298470354 427620349 /nfs/dbraw/zinc/62/03/49/427620349.db2.gz OWTXWFXVAJVZKH-UHFFFAOYSA-N 2 0 321.428 2.796 20 0 DFADRP CC[NH+](CC)CCO[C@@H]1CC[N@H+](Cc2ccc(COC)cc2)C1 ZINC000339008934 427622508 /nfs/dbraw/zinc/62/25/08/427622508.db2.gz CMLKPVUBHKKNAO-LJQANCHMSA-N 2 0 320.477 2.766 20 0 DFADRP Cc1ccc2c(c1)[C@H]([NH2+]C1CC[NH+]([C@H]3CCC[C@H]3O)CC1)CC2 ZINC000271485086 427558125 /nfs/dbraw/zinc/55/81/25/427558125.db2.gz JORIRVZXUZRQRW-HSALFYBXSA-N 2 0 314.473 2.950 20 0 DFADRP CC[N@@H+]1CC[C@H]([NH+](C)C[C@@H](O)Cc2ccc(F)cc2)C[C@H]1C ZINC000339009700 427622702 /nfs/dbraw/zinc/62/27/02/427622702.db2.gz GKXCITQSJHMAEP-JLSDUUJJSA-N 2 0 308.441 2.534 20 0 DFADRP C[C@@H]1Cc2ccccc2[C@@H]1[NH2+]C1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000271513515 427565231 /nfs/dbraw/zinc/56/52/31/427565231.db2.gz ODJMHFBOUSADMA-LMFCIFFHSA-N 2 0 314.473 2.887 20 0 DFADRP O[C@H](C[NH2+]C1CCN(c2cc[nH+]cc2)CC1)c1cccc(F)c1 ZINC000298324499 427571713 /nfs/dbraw/zinc/57/17/13/427571713.db2.gz INLXUSBWSJXNOS-GOSISDBHSA-N 2 0 315.392 2.513 20 0 DFADRP CC(C)c1nc([C@@H]2CCC[N@H+](C[C@@H]3CC[NH2+][C@H](C)C3)C2)no1 ZINC000332342572 427583558 /nfs/dbraw/zinc/58/35/58/427583558.db2.gz REKCOUXXETWRRN-RBSFLKMASA-N 2 0 306.454 2.761 20 0 DFADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1[NH2+]Cc1ccc(N2CCCC2=O)cc1 ZINC000192702313 427587864 /nfs/dbraw/zinc/58/78/64/427587864.db2.gz RCYHNKUVWSJPOP-RVKKMQEKSA-N 2 0 315.461 2.632 20 0 DFADRP COc1ccc(C[NH2+]C2CCN(c3cc[nH+]cc3)CC2)cc1F ZINC000298380981 427590300 /nfs/dbraw/zinc/59/03/00/427590300.db2.gz LAUHOPWCYFHZJX-UHFFFAOYSA-N 2 0 315.392 2.988 20 0 DFADRP Cc1ccc([C@H](CNC2C[C@H]3CC[C@@H](C2)[N@H+]3C)[NH+](C)C)cc1 ZINC000192773599 427608489 /nfs/dbraw/zinc/60/84/89/427608489.db2.gz JECIWFKRRSCDJR-IPQPSQTFSA-N 2 0 301.478 2.813 20 0 DFADRP CC(C)[NH+]1CCN(CCC[N@@H+]2CCc3ccc(F)cc3C2)CC1 ZINC000192773827 427609476 /nfs/dbraw/zinc/60/94/76/427609476.db2.gz LUNBDRCZLISRJA-UHFFFAOYSA-N 2 0 319.468 2.600 20 0 DFADRP CCC[N@H+](CC)Cc1ccc(C(=O)N2CC[C@@H]([NH+](C)C)C2)cc1 ZINC000263989392 427625942 /nfs/dbraw/zinc/62/59/42/427625942.db2.gz FTUKMMZIXAZYMJ-GOSISDBHSA-N 2 0 317.477 2.695 20 0 DFADRP CC(C)Oc1ccc([C@H](O)C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc1 ZINC000192873219 427627830 /nfs/dbraw/zinc/62/78/30/427627830.db2.gz JRYJTEBUEXXEAR-RGPMPMONSA-N 2 0 318.461 2.722 20 0 DFADRP Cc1c(C[NH2+][C@@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)cnn1C ZINC000272183555 427665396 /nfs/dbraw/zinc/66/53/96/427665396.db2.gz KRAMTENQFKGFRN-YJBOKZPZSA-N 2 0 312.461 2.729 20 0 DFADRP Cc1nc2ccccc2n1C[C@@H]1CCC[N@H+]1CCc1cncn1C ZINC000298512927 427635004 /nfs/dbraw/zinc/63/50/04/427635004.db2.gz QZJJPJXYHKMDTP-KRWDZBQOSA-N 2 0 323.444 2.785 20 0 DFADRP C[C@H](C[NH+]1CCC(C(=O)NCC[NH+](C)C)CC1)C1CCCCC1 ZINC000339034535 427637301 /nfs/dbraw/zinc/63/73/01/427637301.db2.gz ZDWMZHOXDDTZSX-MRXNPFEDSA-N 2 0 323.525 2.593 20 0 DFADRP C[C@H](C[NH+]1CCCCCC1)NC(=O)c1ccc(C[NH+](C)C)cc1 ZINC000185416109 427649757 /nfs/dbraw/zinc/64/97/57/427649757.db2.gz JRYUNCMKNIEQPZ-MRXNPFEDSA-N 2 0 317.477 2.743 20 0 DFADRP C[C@H]1CC(C)(C)CC[C@H]1[NH2+]Cc1nnc(C2CC[NH2+]CC2)[nH]1 ZINC000333647435 427666094 /nfs/dbraw/zinc/66/60/94/427666094.db2.gz YJCHSELCEHBBRF-GXTWGEPZSA-N 2 0 305.470 2.576 20 0 DFADRP C[C@@H]1[NH2+]CCC[C@@H]1C(=O)Nc1cccc(C[NH+]2CCCCC2)c1 ZINC000342695143 272043162 /nfs/dbraw/zinc/04/31/62/272043162.db2.gz OTVBLUCRFOOYAM-YJBOKZPZSA-N 2 0 315.461 2.999 20 0 DFADRP CCN1C[C@@H](C)[C@@H]([NH2+]Cc2ccccc2C[NH+](CC)CC)C1 ZINC000343032857 272077249 /nfs/dbraw/zinc/07/72/49/272077249.db2.gz IBLCFBLBMMQEEV-APWZRJJASA-N 2 0 303.494 2.958 20 0 DFADRP C[C@@H]1CN(C)C[C@@H]1[NH2+]Cc1ccccc1C[NH+]1CCCCC1 ZINC000343031780 272077700 /nfs/dbraw/zinc/07/77/00/272077700.db2.gz BTRMXBSIPBAXTG-APWZRJJASA-N 2 0 301.478 2.712 20 0 DFADRP CCCC[N@H+](C)CC1CC[NH+]([C@H](C)C(=O)N[C@H](C)CC)CC1 ZINC000343045774 272079010 /nfs/dbraw/zinc/07/90/10/272079010.db2.gz OFJVFKXFINQVBJ-HZPDHXFCSA-N 2 0 311.514 2.734 20 0 DFADRP COCCCOc1ccc(C[NH2+][C@@H]2C[C@@H](C)[N@H+](C)C[C@@H]2C)cc1 ZINC000287690507 427671884 /nfs/dbraw/zinc/67/18/84/427671884.db2.gz WROCHZLDQYJYMA-FRQCXROJSA-N 2 0 320.477 2.920 20 0 DFADRP C[C@H]1CN(C)C[C@@H]1[NH2+]Cc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000343473894 272155784 /nfs/dbraw/zinc/15/57/84/272155784.db2.gz MBUXFBMEJUZKDT-UWVAXJGDSA-N 2 0 315.505 2.958 20 0 DFADRP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+](C)CC[C@@H]1CCCO1 ZINC000343480251 272156652 /nfs/dbraw/zinc/15/66/52/272156652.db2.gz ZEXXJXAYDZEHKL-KRWDZBQOSA-N 2 0 300.406 2.577 20 0 DFADRP CC[NH+](CC)CCO[C@@H]1CCN(Cc2nc(C3CC3)cs2)C1 ZINC000343530645 272165365 /nfs/dbraw/zinc/16/53/65/272165365.db2.gz CMJDMQKDOQAELK-OAHLLOKOSA-N 2 0 323.506 2.953 20 0 DFADRP C[N@H+](CCC[NH+]1CCCC1)Cc1cc(-n2ccnc2)cs1 ZINC000343608232 272183144 /nfs/dbraw/zinc/18/31/44/272183144.db2.gz UPWMXVNFADNGEZ-UHFFFAOYSA-N 2 0 304.463 2.852 20 0 DFADRP C[C@H](Cc1cnccn1)[NH2+][C@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000343780635 272217493 /nfs/dbraw/zinc/21/74/93/272217493.db2.gz AHMSIBMOPSQNRX-NUJGCVRESA-N 2 0 310.445 2.833 20 0 DFADRP C[NH+](C)CCOc1cnccc1C[NH2+][C@@H]1CCc2ccccc21 ZINC000343983922 272247611 /nfs/dbraw/zinc/24/76/11/272247611.db2.gz LPFTXNXNJKFNPS-GOSISDBHSA-N 2 0 311.429 2.799 20 0 DFADRP CCN1C[C@H]([NH2+]CC2CC[NH+](Cc3cccs3)CC2)[C@@H](C)C1 ZINC000343990458 272248047 /nfs/dbraw/zinc/24/80/47/272248047.db2.gz UXIAGRSXUTXWBG-YJBOKZPZSA-N 2 0 321.534 2.890 20 0 DFADRP c1cn(-c2csc(C[NH2+][C@H]3CC[N@@H+]4CCC[C@@H]4C3)c2)cn1 ZINC000344162604 272276783 /nfs/dbraw/zinc/27/67/83/272276783.db2.gz IMQHMHAWZBTCHR-UONOGXRCSA-N 2 0 302.447 2.650 20 0 DFADRP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+]Cc1ccccc1N(C)C ZINC000344208639 272288491 /nfs/dbraw/zinc/28/84/91/272288491.db2.gz KEPJINGPSYFWIG-UHFFFAOYSA-N 2 0 321.428 2.932 20 0 DFADRP Cc1cc(F)ccc1N1CCC[C@H]([NH2+][C@@H]2CN(C)C[C@H]2C)C1 ZINC000344366551 272321534 /nfs/dbraw/zinc/32/15/34/272321534.db2.gz ABWGJWSLWLUZKR-HYVNUMGLSA-N 2 0 305.441 2.643 20 0 DFADRP C[C@@H](c1ccccc1)[NH+]1CCC(N[C@H]2C[N@H+](C)C[C@H]2C)CC1 ZINC000344374052 272323698 /nfs/dbraw/zinc/32/36/98/272323698.db2.gz SXVSXBSKAOWXLJ-GJYPPUQNSA-N 2 0 301.478 2.752 20 0 DFADRP CC[C@H]([NH2+]Cc1ccc(OCCC[NH+](C)C)cc1)[C@H]1CCOC1 ZINC000344607528 272346936 /nfs/dbraw/zinc/34/69/36/272346936.db2.gz OGEODYAZLFIAJI-HKUYNNGSSA-N 2 0 320.477 2.922 20 0 DFADRP Cn1nccc1[C@H]1[C@H](C[NH2+]C2Cc3ccccc3C2)CCCN1C ZINC000345035044 272396444 /nfs/dbraw/zinc/39/64/44/272396444.db2.gz OGDAQJOLWAIWCS-FXAWDEMLSA-N 2 0 324.472 2.560 20 0 DFADRP C[NH+](C)[C@@H]1CCC[N@H+](C[C@H](O)Cc2cccc(Cl)c2)CC1 ZINC000287779720 427691365 /nfs/dbraw/zinc/69/13/65/427691365.db2.gz NIQXZEUZFQEABD-IAGOWNOFSA-N 2 0 310.869 2.660 20 0 DFADRP Cc1ccccc1NC(=O)C[C@@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000295103112 427694593 /nfs/dbraw/zinc/69/45/93/427694593.db2.gz VGOLUDVCXXGYIU-MGNMYUMUSA-N 2 0 315.461 2.927 20 0 DFADRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+]Cc1ccc(Cl)s1 ZINC000185874706 427723314 /nfs/dbraw/zinc/72/33/14/427723314.db2.gz WJVMUDNLDKOWFE-GFCCVEGCSA-N 2 0 301.887 2.517 20 0 DFADRP C[C@H](CCO)C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000272283093 427696462 /nfs/dbraw/zinc/69/64/62/427696462.db2.gz AMLOFAQGUZGXGR-OQIJWPOYSA-N 2 0 302.462 2.790 20 0 DFADRP CCn1ncnc1CN[C@H](C)c1ccc(-n2ccnc2C)cc1 ZINC000193523934 427697989 /nfs/dbraw/zinc/69/79/89/427697989.db2.gz KXTVEHOQFBHQKK-CYBMUJFWSA-N 2 0 310.405 2.643 20 0 DFADRP CC[N@@H+]1CC[C@H]([NH2+]CCc2ccc(OC)cc2OC)[C@H](C)C1 ZINC000345146526 272416352 /nfs/dbraw/zinc/41/63/52/272416352.db2.gz BDSZDYLCEDOTPA-PBHICJAKSA-N 2 0 306.450 2.566 20 0 DFADRP COc1cc2c(cc1F)[nH+]ccc2N1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000333884412 427701376 /nfs/dbraw/zinc/70/13/76/427701376.db2.gz FLIKRYWWGYVFKG-ZKYQVNSYSA-N 2 0 301.365 2.556 20 0 DFADRP COCC1=CC[NH+](CCCCC[N@H+]2CC=C(COC)CC2)CC1 ZINC000185849864 427719435 /nfs/dbraw/zinc/71/94/35/427719435.db2.gz HRPFNYCQZASVBV-UHFFFAOYSA-N 2 0 322.493 2.714 20 0 DFADRP CCC(C)(C)[NH2+][C@@H](C)C(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000299272638 427764418 /nfs/dbraw/zinc/76/44/18/427764418.db2.gz UXDQVNFLNYBQHF-GOEBONIOSA-N 2 0 305.466 2.572 20 0 DFADRP CC(C)[C@H](C[NH2+]Cc1ccc(C2CC2)cc1)N1CC[NH+](C)CC1 ZINC000336867812 427767192 /nfs/dbraw/zinc/76/71/92/427767192.db2.gz OZFYCLUZEXPJSU-FQEVSTJZSA-N 2 0 315.505 2.926 20 0 DFADRP C[NH+](C)CCOCC[NH2+]Cc1csc(-c2ccc(F)cc2)n1 ZINC000336866943 427767226 /nfs/dbraw/zinc/76/72/26/427767226.db2.gz YQBIBMDHBQWPIV-UHFFFAOYSA-N 2 0 323.437 2.617 20 0 DFADRP CC(C)[C@H]([NH3+])CC[N@H+](C)Cc1ccc(Cl)cc1-n1cncn1 ZINC000339407402 427769212 /nfs/dbraw/zinc/76/92/12/427769212.db2.gz KRLLXEDEDCXHTF-OAHLLOKOSA-N 2 0 321.856 2.726 20 0 DFADRP CCc1cc(OC)ccc1C[NH+]1CCC(OCCC[NH3+])CC1 ZINC000339405683 427769309 /nfs/dbraw/zinc/76/93/09/427769309.db2.gz BOZLPNWIXRNGCP-UHFFFAOYSA-N 2 0 306.450 2.587 20 0 DFADRP C[C@@H](C(=O)N1CCC[N@H+](CC2CCC2)CC1)[NH+]1[C@H](C)CC[C@H]1C ZINC000339439577 427775886 /nfs/dbraw/zinc/77/58/86/427775886.db2.gz XAKCBIWQGXEAPY-ZACQAIPSSA-N 2 0 321.509 2.582 20 0 DFADRP C[C@@H](CCN1CC[NH+](C)CC1)[NH2+]Cc1ccc(Cl)c(F)c1 ZINC000185881045 427725360 /nfs/dbraw/zinc/72/53/60/427725360.db2.gz RZBMYHQITUOFDC-ZDUSSCGKSA-N 2 0 313.848 2.595 20 0 DFADRP CC(C)c1cnc(C[NH2+]C(C)(C)CCN2CC[NH+](C)CC2)s1 ZINC000185890485 427725468 /nfs/dbraw/zinc/72/54/68/427725468.db2.gz YAXSWQAFXMNZAO-UHFFFAOYSA-N 2 0 324.538 2.772 20 0 DFADRP Cc1nc(C(C)C)ccc1C[N@H+](C)CCCN(C)CC[NH+](C)C ZINC000339205075 427732253 /nfs/dbraw/zinc/73/22/53/427732253.db2.gz MLQSDBGJQXVEDS-UHFFFAOYSA-N 2 0 320.525 2.829 20 0 DFADRP CC[C@H](C(=O)NCC(C)(C)C[NH+](C)C)[N@H+](C)Cc1ccccc1 ZINC000339242332 427738668 /nfs/dbraw/zinc/73/86/68/427738668.db2.gz YVUQEFXBHPGUSB-QGZVFWFLSA-N 2 0 319.493 2.601 20 0 DFADRP C[C@H]([NH2+][C@@H]1C[C@@H](O)C1(C)C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000336657499 427747046 /nfs/dbraw/zinc/74/70/46/427747046.db2.gz SAAGRGNFMNHMDF-DZOHQFGASA-N 2 0 302.462 2.646 20 0 DFADRP CC1CC[NH+](C[C@@H](O)CNc2cc[nH+]c3cc(F)ccc23)CC1 ZINC000301519478 427802112 /nfs/dbraw/zinc/80/21/12/427802112.db2.gz FAACHLNSYPRQHY-HNNXBMFYSA-N 2 0 317.408 2.879 20 0 DFADRP C[C@H]([NH2+]C[C@](C)(O)C(F)(F)F)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000337206776 427815612 /nfs/dbraw/zinc/81/56/12/427815612.db2.gz NEKIEEVUHGPHOK-SCRDCRAPSA-N 2 0 308.388 2.542 20 0 DFADRP Cc1cc([C@@H]([NH2+]CCCN2CC[NH+](C)CC2)C2CC2)ccc1F ZINC000337311455 427839533 /nfs/dbraw/zinc/83/95/33/427839533.db2.gz CMUWYPMOUBEOQU-IBGZPJMESA-N 2 0 319.468 2.812 20 0 DFADRP CC(C)OC[C@@H](C)[NH2+]C[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000337325028 427845318 /nfs/dbraw/zinc/84/53/18/427845318.db2.gz BQRCQGFCGWACOQ-IEBWSBKVSA-N 2 0 304.478 2.954 20 0 DFADRP CN(C)c1ccccc1C[N@@H+]1CC[C@H](C2CC[NH+](C)CC2)C1 ZINC000339845790 427849043 /nfs/dbraw/zinc/84/90/43/427849043.db2.gz JAHOGKPYFSSLIK-KRWDZBQOSA-N 2 0 301.478 2.916 20 0 DFADRP CC[NH+](CC)CCOCC[NH2+][C@@H](C)c1cccc(F)c1F ZINC000349724759 427851913 /nfs/dbraw/zinc/85/19/13/427851913.db2.gz VMOCUMDCMGSVFV-ZDUSSCGKSA-N 2 0 300.393 2.974 20 0 DFADRP C[NH+](C)CCN(C(=O)c1ccc2c[nH+]cn2c1)c1ccccc1 ZINC000339891219 427862229 /nfs/dbraw/zinc/86/22/29/427862229.db2.gz KKVVUGZHYMNBDP-UHFFFAOYSA-N 2 0 308.385 2.543 20 0 DFADRP C[C@@H]1CCC[C@H]([NH2+]C[C@@H](O)CN2CCc3ccccc3C2)[C@H]1C ZINC000340507648 427867537 /nfs/dbraw/zinc/86/75/37/427867537.db2.gz YSKUMIQWUBPSQZ-GJJHYRHESA-N 2 0 316.489 2.820 20 0 DFADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]CC2(COC)CCC2)[C@H](C)C1 ZINC000337377669 427873869 /nfs/dbraw/zinc/87/38/69/427873869.db2.gz BUDKEVFMLFUMPA-SJORKVTESA-N 2 0 312.498 2.530 20 0 DFADRP CC[NH+](CC)CCCN1CC[NH+](Cc2ccccc2C)CC1 ZINC000340600702 427896935 /nfs/dbraw/zinc/89/69/35/427896935.db2.gz PPRIODKCZPNRJN-UHFFFAOYSA-N 2 0 303.494 2.845 20 0 DFADRP C[N@@H+]1CCC[C@H]1CC[NH+]1CCC[C@@H](c2ncc3n2CCCC3)C1 ZINC000337427259 427901683 /nfs/dbraw/zinc/90/16/83/427901683.db2.gz BRGSXZXXVFLDGX-SJORKVTESA-N 2 0 316.493 2.883 20 0 DFADRP CC[C@H](C(=O)NCCCC[NH+]1CCC(C)CC1)[NH+](CC)CC ZINC000345790794 427907734 /nfs/dbraw/zinc/90/77/34/427907734.db2.gz FTAMJQSNVMRJEF-QGZVFWFLSA-N 2 0 311.514 2.735 20 0 DFADRP CC[C@H](C(=O)N[C@H](C)C[NH+]1C[C@@H](C)C[C@H](C)C1)[NH+](CC)CC ZINC000345790905 427908959 /nfs/dbraw/zinc/90/89/59/427908959.db2.gz HHVSNXUWPCRTFR-MWDXBVQZSA-N 2 0 311.514 2.589 20 0 DFADRP C[C@H](CNC(=O)c1cccc(C[NH+](C)C)c1)[N@@H+]1CCCC[C@H]1C ZINC000355823689 427909239 /nfs/dbraw/zinc/90/92/39/427909239.db2.gz YXUZNICJNUBNEP-HZPDHXFCSA-N 2 0 317.477 2.741 20 0 DFADRP Cc1cc([C@H](C)[NH2+][C@@H](CC(C)C)C(=O)NCC[NH+](C)C)oc1C ZINC000337463567 427917555 /nfs/dbraw/zinc/91/75/55/427917555.db2.gz LBOQPZDGKXIUJE-HOCLYGCPSA-N 2 0 323.481 2.640 20 0 DFADRP COCC[C@@H]1CCC[C@@H]1[NH2+]CCCC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000337469991 427920480 /nfs/dbraw/zinc/92/04/80/427920480.db2.gz NEEIEGLOBKNXAR-XSLAGTTESA-N 2 0 312.498 2.671 20 0 DFADRP COCC[C@@H]1CCC[C@H]1[NH2+]CCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000337469992 427920806 /nfs/dbraw/zinc/92/08/06/427920806.db2.gz NEEIEGLOBKNXAR-XWTMOSNGSA-N 2 0 312.498 2.671 20 0 DFADRP CN1CC[C@@H]([NH2+]CC2CC[NH+](C)CC2)C[C@H]1c1ccccc1 ZINC000340228535 427959995 /nfs/dbraw/zinc/95/99/95/427959995.db2.gz JZEXVYXVZUZQJU-MOPGFXCFSA-N 2 0 301.478 2.753 20 0 DFADRP COC1CCN(C2(C[NH2+][C@H](C)[C@@]3(C)CCCO3)CCCC2)CC1 ZINC000340231684 427960567 /nfs/dbraw/zinc/96/05/67/427960567.db2.gz VBXPYDUZUVRZSV-SJLPKXTDSA-N 2 0 324.509 2.957 20 0 DFADRP CC[NH+]1CCN([C@@H](C)C[NH2+][C@@H](C)CCCC(F)(F)F)CC1 ZINC000359667296 427965786 /nfs/dbraw/zinc/96/57/86/427965786.db2.gz ZXNSYWDEQWEWPA-KBPBESRZSA-N 2 0 309.420 2.723 20 0 DFADRP C[NH2+]CC1CC[NH+](Cc2c(C3CC3)nc3sccn23)CC1 ZINC000347120921 272730451 /nfs/dbraw/zinc/73/04/51/272730451.db2.gz ZBZVHFKUZZMELC-UHFFFAOYSA-N 2 0 304.463 2.705 20 0 DFADRP Cc1nc2c(c(N3CC[C@H](C[N@H+](C)CC4CC4)C3)n1)CCCC2 ZINC000359729213 427993278 /nfs/dbraw/zinc/99/32/78/427993278.db2.gz DTPUFSWOXVWLPW-MRXNPFEDSA-N 2 0 314.477 2.832 20 0 DFADRP c1ccc(C[N@@H+]2CC[C@@H](N3CC[C@H](Oc4ccncc4)C3)C2)cc1 ZINC000355903958 427942337 /nfs/dbraw/zinc/94/23/37/427942337.db2.gz INNRBVSJCGXWFO-QUCCMNQESA-N 2 0 323.440 2.809 20 0 DFADRP CC[N@@H+]1CC[C@H](CN[C@H]2CC[NH+](C)[C@H](c3ccccc3)C2)C1 ZINC000340188862 427951152 /nfs/dbraw/zinc/95/11/52/427951152.db2.gz QNRKMVFADNEHJW-NEWSRXKRSA-N 2 0 301.478 2.753 20 0 DFADRP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+]1CCC[C@@H]2COCC[C@H]21 ZINC000346166992 428047371 /nfs/dbraw/zinc/04/73/71/428047371.db2.gz JPVBIGAJFIBVHC-CRAIPNDOSA-N 2 0 312.417 2.577 20 0 DFADRP CC[NH+](CC)CCO[C@H]1CC[N@H+](Cc2ccc(C)nc2C)C1 ZINC000359878371 428058235 /nfs/dbraw/zinc/05/82/35/428058235.db2.gz PCXJCJOMIVYMOX-SFHVURJKSA-N 2 0 305.466 2.631 20 0 DFADRP C[C@@H]1[C@H]([NH2+][C@H]2C[C@@H](O)C2(C)C)CCCN1Cc1ccccc1 ZINC000340356219 427996948 /nfs/dbraw/zinc/99/69/48/427996948.db2.gz PDRMXAUZDBMSSX-NRSFXHEJSA-N 2 0 302.462 2.789 20 0 DFADRP CN1CC[C@@H]([NH2+]CC2(CO)CCCC2)C[C@H]1c1ccccc1 ZINC000340361158 427998666 /nfs/dbraw/zinc/99/86/66/427998666.db2.gz NXFZXXAIOJNZBA-MSOLQXFVSA-N 2 0 302.462 2.964 20 0 DFADRP COc1cc2[nH+]ccc(N3C[C@@H](C)[N@@H+](C)[C@@H](C)C3)c2cc1OC ZINC000413291537 428011854 /nfs/dbraw/zinc/01/18/54/428011854.db2.gz DUGSBVJDCWFBNB-BETUJISGSA-N 2 0 315.417 2.781 20 0 DFADRP CCC[C@H]([NH2+]C[C@H]1CN2CCCC[C@H]2CO1)c1cccnc1 ZINC000376893265 428019729 /nfs/dbraw/zinc/01/97/29/428019729.db2.gz NNPIOSIUWHDJOT-BZSNNMDCSA-N 2 0 303.450 2.766 20 0 DFADRP Cc1nccn1CC[N@@H+]1CC[C@@H](Oc2cccc(Cl)c2)C1 ZINC000346210915 428070495 /nfs/dbraw/zinc/07/04/95/428070495.db2.gz OXULYQIKKGGEGE-MRXNPFEDSA-N 2 0 305.809 2.998 20 0 DFADRP CC(C)[NH+]1CCC([NH2+][C@H]2CCc3nc(C(C)(C)C)cn3C2)CC1 ZINC000341476360 428082178 /nfs/dbraw/zinc/08/21/78/428082178.db2.gz KTDZHJLDDXCKCK-INIZCTEOSA-N 2 0 318.509 2.958 20 0 DFADRP CCCN(CC[NH+]1CCCCCC1)C(=O)C[N@H+](CC)C1CC1 ZINC000346230886 428084544 /nfs/dbraw/zinc/08/45/44/428084544.db2.gz CFNLXEFDHDOHAN-UHFFFAOYSA-N 2 0 309.498 2.585 20 0 DFADRP CCCCNC(=O)CC[N@@H+]1CCC[C@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000341525390 428090436 /nfs/dbraw/zinc/09/04/36/428090436.db2.gz YATPUHLHCDPHJX-MSOLQXFVSA-N 2 0 323.525 2.879 20 0 DFADRP C[C@@H]([NH3+])[C@@H]1CC[N@H+](Cc2ccc(OCc3ccncc3)cc2)C1 ZINC000351859264 428112763 /nfs/dbraw/zinc/11/27/63/428112763.db2.gz GEDKBYKBFLLWJK-CRAIPNDOSA-N 2 0 311.429 2.830 20 0 DFADRP C[C@H]([NH3+])[C@H]1CC[N@H+](Cc2ccc(OCc3cccnc3)cc2)C1 ZINC000351859709 428113273 /nfs/dbraw/zinc/11/32/73/428113273.db2.gz GWVKFFCAFKDHCK-YJBOKZPZSA-N 2 0 311.429 2.830 20 0 DFADRP C[C@@H]([NH3+])[C@H]1CC[N@H+](CCc2nc(-c3cccc(Cl)c3)no2)C1 ZINC000351860495 428114006 /nfs/dbraw/zinc/11/40/06/428114006.db2.gz ISVCTVPWCGDRJJ-YPMHNXCESA-N 2 0 320.824 2.602 20 0 DFADRP C[C@H]([NH3+])[C@@H]1CC[N@H+](Cc2ccc(OCc3ccccn3)cc2)C1 ZINC000351864649 428117047 /nfs/dbraw/zinc/11/70/47/428117047.db2.gz YTBADYOSXAQKJQ-DOTOQJQBSA-N 2 0 311.429 2.830 20 0 DFADRP C[N@H+](CCNC(=O)[C@H]1CC[NH+](C2CCCCC2)C1)C1CCCC1 ZINC000370075408 428128520 /nfs/dbraw/zinc/12/85/20/428128520.db2.gz AIAJHIHPLRMUQE-INIZCTEOSA-N 2 0 321.509 2.632 20 0 DFADRP CC[NH+](CC)C[C@H]1CCCC[C@@H]1[NH2+]Cc1c[nH]c2nccnc12 ZINC000356197958 428064334 /nfs/dbraw/zinc/06/43/34/428064334.db2.gz WYTGHAIUOGGDSS-ZBFHGGJFSA-N 2 0 315.465 2.900 20 0 DFADRP C[C@@H]1[C@H]([NH2+][C@H]2CCCN(Cc3ccccc3)C2)CCCN1C ZINC000346344373 428134143 /nfs/dbraw/zinc/13/41/43/428134143.db2.gz WIRYYGWCUOINED-NZSAHSFTSA-N 2 0 301.478 2.723 20 0 DFADRP CC[NH+](CC)CCOC1CC[NH+](Cc2ccc(CO)cc2)CC1 ZINC000352541269 428142480 /nfs/dbraw/zinc/14/24/80/428142480.db2.gz VULLPEDVVQEUMM-UHFFFAOYSA-N 2 0 320.477 2.502 20 0 DFADRP CSC1(C[NH2+]CCCc2ccc(C)nc2)CC[NH+](C)CC1 ZINC000356365785 428145743 /nfs/dbraw/zinc/14/57/43/428145743.db2.gz NNEDMEDUCFUTCF-UHFFFAOYSA-N 2 0 307.507 2.740 20 0 DFADRP CC[N@@H+]1CC[C@H](N(C)C(=O)c2cccc(C[NH+](C)C)c2)C[C@H]1C ZINC000346387867 428151422 /nfs/dbraw/zinc/15/14/22/428151422.db2.gz OSQRMTOIHXPNMR-QAPCUYQASA-N 2 0 317.477 2.693 20 0 DFADRP CCC[NH+]1CCC(NC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC000360093364 428159055 /nfs/dbraw/zinc/15/90/55/428159055.db2.gz LHGHMOXJPZUARF-INIZCTEOSA-N 2 0 321.509 2.632 20 0 DFADRP COc1ccc(O)cc1[C@@H](C)NCc1cccnc1-n1ccnc1 ZINC000377546465 428155077 /nfs/dbraw/zinc/15/50/77/428155077.db2.gz AIIMGYVCCPHHLJ-CYBMUJFWSA-N 2 0 324.384 2.832 20 0 DFADRP CCO[C@H](CC[NH+](C)C)C[NH2+]CCc1ccc(F)cc1Cl ZINC000356406096 428164573 /nfs/dbraw/zinc/16/45/73/428164573.db2.gz FBEOVNOJJISKIW-OAHLLOKOSA-N 2 0 316.848 2.968 20 0 DFADRP C[C@@H]1CCCC[C@H]1C[N@@H+]1CCC[C@@H](CN2CC[NH+](C)CC2)C1 ZINC000377623456 428174312 /nfs/dbraw/zinc/17/43/12/428174312.db2.gz JLNXYIFPNSZPOR-QYZOEREBSA-N 2 0 307.526 2.772 20 0 DFADRP C[C@@H](C[NH+]1CCCCCC1)NC(=O)CC[C@@H]1CCCC[N@@H+]1C ZINC000356434521 428176819 /nfs/dbraw/zinc/17/68/19/428176819.db2.gz NZRAYBSIMOOPSB-IRXDYDNUSA-N 2 0 309.498 2.632 20 0 DFADRP CSC1(C[NH2+]Cc2ccccc2C[N@@H+]2CC[C@H](O)C2)CCC1 ZINC000356433420 428177082 /nfs/dbraw/zinc/17/70/82/428177082.db2.gz RFXGIDJLEYSETL-KRWDZBQOSA-N 2 0 320.502 2.629 20 0 DFADRP CCCn1nccc1C1CC[NH+](CC[C@@H]2CCC[N@@H+]2C)CC1 ZINC000370295868 428178606 /nfs/dbraw/zinc/17/86/06/428178606.db2.gz XSFQZBAFJRXJDM-KRWDZBQOSA-N 2 0 304.482 2.957 20 0 DFADRP Cc1ccc(O)c(C[NH2+]C[C@H]2CC[N@@H+](C)[C@H]2c2ccccc2)n1 ZINC000377758243 428219183 /nfs/dbraw/zinc/21/91/83/428219183.db2.gz BYOHNZNJLSIGQU-APWZRJJASA-N 2 0 311.429 2.878 20 0 DFADRP CCC(C)(C)[NH2+][C@@H](C)C(=O)N[C@@H](C)C[N@H+](C)Cc1ccccc1 ZINC000356528272 428220281 /nfs/dbraw/zinc/22/02/81/428220281.db2.gz BIZQMTNAVUXEAX-HOTGVXAUSA-N 2 0 319.493 2.790 20 0 DFADRP COc1ccc(C[C@H](C)[NH2+]CC(C)(C)C[NH+]2CCCC2)cn1 ZINC000414151730 428220509 /nfs/dbraw/zinc/22/05/09/428220509.db2.gz ZCKQIWYNFRUPOO-HNNXBMFYSA-N 2 0 305.466 2.733 20 0 DFADRP CC(C)[C@H](C)NC(=O)CN1CCC[C@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000356577329 428239403 /nfs/dbraw/zinc/23/94/03/428239403.db2.gz MXDFNRDDAYYHPC-BZSNNMDCSA-N 2 0 323.525 2.734 20 0 DFADRP COCCN1CCC([NH2+]Cc2ccc3[nH]c(C)c(C)c3c2)CC1 ZINC000360163601 428186630 /nfs/dbraw/zinc/18/66/30/428186630.db2.gz QVYBIJRQCZSTCG-UHFFFAOYSA-N 2 0 315.461 2.985 20 0 DFADRP CN1CC[C@H]([NH2+]CC[C@H]2CCC[N@@H+]2C)[C@@H]1c1ccc(F)cc1 ZINC000377667715 428187036 /nfs/dbraw/zinc/18/70/36/428187036.db2.gz DOTHTAAMCWFKMA-SQNIBIBYSA-N 2 0 305.441 2.645 20 0 DFADRP COC(C)(C)CC[NH+]1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000346510645 428201217 /nfs/dbraw/zinc/20/12/17/428201217.db2.gz XIEYHYYNEYBXKW-UHFFFAOYSA-N 2 0 312.498 2.626 20 0 DFADRP C[C@@H]1CN(C2CC2)C[C@H]1[NH2+][C@@H](CN1CCCC1)c1ccccc1 ZINC000352684548 428202475 /nfs/dbraw/zinc/20/24/75/428202475.db2.gz ORSDYPMQPBEESB-AHRSYUTCSA-N 2 0 313.489 2.896 20 0 DFADRP CC(C)[NH+]1CCC([NH2+][C@H]2CCN(c3ccc(F)cc3)C2)CC1 ZINC000414349131 428265831 /nfs/dbraw/zinc/26/58/31/428265831.db2.gz OVRBQUJZJLOIFW-KRWDZBQOSA-N 2 0 305.441 2.867 20 0 DFADRP CC[NH+]1CCN([C@@H](C)C[NH2+]Cc2ccc(SC)s2)CC1 ZINC000352835247 428271344 /nfs/dbraw/zinc/27/13/44/428271344.db2.gz OGMJDIYJAWRQJU-ZDUSSCGKSA-N 2 0 313.536 2.586 20 0 DFADRP Fc1ccc(N2CC[C@H]([NH2+][C@H]3CC[N@@H+]4CCC[C@H]4C3)C2)cc1 ZINC000414356003 428271708 /nfs/dbraw/zinc/27/17/08/428271708.db2.gz ZOVXTDGQNKJEJJ-BQFCYCMXSA-N 2 0 303.425 2.621 20 0 DFADRP CCCC[N@H+](C)CC1CC[NH+](Cc2cnc(CC)nc2)CC1 ZINC000414368179 428273014 /nfs/dbraw/zinc/27/30/14/428273014.db2.gz GQYMLKWQWHHNNT-UHFFFAOYSA-N 2 0 304.482 2.983 20 0 DFADRP C[C@@H](Cc1ccccc1F)[NH2+][C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000370688277 428274763 /nfs/dbraw/zinc/27/47/63/428274763.db2.gz FYCQFESFTCJVSN-DOTOQJQBSA-N 2 0 319.468 2.515 20 0 DFADRP Cc1ccc(C[N@@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@@H](C)C2)cc1C ZINC000370695409 428275504 /nfs/dbraw/zinc/27/55/04/428275504.db2.gz AFFIDKZXOIEKPC-AZUAARDMSA-N 2 0 315.505 2.761 20 0 DFADRP C[C@H]([NH3+])[C@@H]1CC[N@H+](Cc2c[nH]nc2-c2ccc(Cl)cc2)C1 ZINC000346695076 428276278 /nfs/dbraw/zinc/27/62/78/428276278.db2.gz YDBLGJJMWMTTHG-WCQYABFASA-N 2 0 304.825 2.899 20 0 DFADRP C[NH2+]C[C@H]1CCCN1CC(C)(C)C[N@H+](C)Cc1ccccc1 ZINC000346693204 428277531 /nfs/dbraw/zinc/27/75/31/428277531.db2.gz LLFZIQUAOQBDJL-GOSISDBHSA-N 2 0 303.494 2.828 20 0 DFADRP [NH3+][C@@H]1CCC[C@H]2C[N@H+](CCC(=O)Nc3ccc(Cl)cc3)C[C@H]21 ZINC000342097461 428298566 /nfs/dbraw/zinc/29/85/66/428298566.db2.gz HSKCDRZWHZLESL-APHBMKBZSA-N 2 0 321.852 2.728 20 0 DFADRP C[NH+]1CCC2(CCC[N@H+](Cc3nnc(-c4ccco4)o3)C2)CC1 ZINC000370709466 428280773 /nfs/dbraw/zinc/28/07/73/428280773.db2.gz RJPHKLPBFCTFML-UHFFFAOYSA-N 2 0 316.405 2.637 20 0 DFADRP CSc1ccc(C[NH2+]CCCC[N@@H+]2CCC[C@H]2CO)s1 ZINC000352856447 428281547 /nfs/dbraw/zinc/28/15/47/428281547.db2.gz WUTPNJTWSFDDBZ-ZDUSSCGKSA-N 2 0 314.520 2.797 20 0 DFADRP CC[C@H](C(=O)N[C@@H](C)C[NH+](C)C(C)C)[N@H+](C)Cc1ccccc1 ZINC000356740893 428289701 /nfs/dbraw/zinc/28/97/01/428289701.db2.gz LEBAEJVFEXCJNU-FUHWJXTLSA-N 2 0 319.493 2.742 20 0 DFADRP CCC[NH+]1CCC([NH2+]CC[C@H]2COc3ccccc3O2)CC1 ZINC000414434302 428294299 /nfs/dbraw/zinc/29/42/99/428294299.db2.gz QJFAWBBJLUXGRE-INIZCTEOSA-N 2 0 304.434 2.681 20 0 DFADRP CCC[C@](C)([NH3+])C(=O)NC1CC[NH+](C2CCC(C)CC2)CC1 ZINC000370763947 428295122 /nfs/dbraw/zinc/29/51/22/428295122.db2.gz SBVMWAHKOGYJAL-PVARCSIZSA-N 2 0 309.498 2.663 20 0 DFADRP CC[C@H](C)[C@H]([NH3+])C(=O)NC1CC[NH+](C2CCC(C)CC2)CC1 ZINC000370763277 428295151 /nfs/dbraw/zinc/29/51/51/428295151.db2.gz HXKDXLMAYQBLQD-VLVHBFOGSA-N 2 0 309.498 2.519 20 0 DFADRP COCCOc1cccc(C[N@@H+]2CCC[C@H]3C[NH+](C)CC[C@H]32)c1 ZINC000377840136 428242911 /nfs/dbraw/zinc/24/29/11/428242911.db2.gz POYAIGGWTLJFBP-PKOBYXMFSA-N 2 0 318.461 2.628 20 0 DFADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]C[C@@H]2C[C@H](C)O[C@H]2C)[C@H](C)C1 ZINC000414261501 428245149 /nfs/dbraw/zinc/24/51/49/428245149.db2.gz GZBQNWKTTPWNTJ-FPSMNIFISA-N 2 0 312.498 2.527 20 0 DFADRP C[NH2+]C[C@H]1CCCN1Cc1c[nH]nc1-c1ccc(Cl)cc1 ZINC000346634724 428248500 /nfs/dbraw/zinc/24/85/00/428248500.db2.gz GKWXAOKYDACLJM-OAHLLOKOSA-N 2 0 304.825 2.914 20 0 DFADRP COc1ccc(CN2CCC[NH2+]CC2)cc1OCCC(C)C ZINC000346636708 428249790 /nfs/dbraw/zinc/24/97/90/428249790.db2.gz HJXARYKPMKQHIR-UHFFFAOYSA-N 2 0 306.450 2.915 20 0 DFADRP C[C@@H]([NH3+])[C@H]1CC[N@H+](Cc2cccc(OCc3ccccn3)c2)C1 ZINC000346640207 428250703 /nfs/dbraw/zinc/25/07/03/428250703.db2.gz KWMVVWODHIRGSK-WBVHZDCISA-N 2 0 311.429 2.830 20 0 DFADRP CC(C)[C@](C)(O)C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000360334159 428256490 /nfs/dbraw/zinc/25/64/90/428256490.db2.gz CAVFLNLSIUNGJG-BHIYHBOVSA-N 2 0 304.478 2.894 20 0 DFADRP CC[C@@H]([NH2+][C@H]1CCN(C2CC[NH+](C)CC2)C1)c1ccccc1 ZINC000370623969 428257874 /nfs/dbraw/zinc/25/78/74/428257874.db2.gz DZPZLVOEBXHHIR-PKOBYXMFSA-N 2 0 301.478 2.896 20 0 DFADRP CCC[C@H]1CN(c2cc(C)nc(C3CC3)n2)CC[N@@H+]1CCOC ZINC000346656289 428258163 /nfs/dbraw/zinc/25/81/63/428258163.db2.gz NNWXRPCLOFKXDU-INIZCTEOSA-N 2 0 318.465 2.600 20 0 DFADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC1CC[NH+](C)CC1 ZINC000370633945 428260546 /nfs/dbraw/zinc/26/05/46/428260546.db2.gz JKKPHZHHPVLDCC-XLIONFOSSA-N 3 0 315.505 2.828 20 0 DFADRP c1ccc(C[NH+]2CC[C@@]3(CC[N@@H+](C[C@@H]4CCOC4)C3)C2)cc1 ZINC000352816273 428261307 /nfs/dbraw/zinc/26/13/07/428261307.db2.gz NYGJLEMBUHWGND-RBUKOAKNSA-N 2 0 300.446 2.621 20 0 DFADRP CC1CCC([NH+]2CCC(NC(=O)CC[C@@H]3CC[NH2+]C3)CC2)CC1 ZINC000378289563 428355612 /nfs/dbraw/zinc/35/56/12/428355612.db2.gz GWESGEAUBOAIFY-UPTPFMHGSA-N 2 0 321.509 2.535 20 0 DFADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1[NH2+]CCc1ccc(F)c(F)c1F ZINC000346801513 428322570 /nfs/dbraw/zinc/32/25/70/428322570.db2.gz SQGYJVUGLKFWKY-SUNKGSAMSA-N 2 0 300.368 2.965 20 0 DFADRP Cc1cc[nH+]c(NC[C@H]2CCN(CC[NH+]3CCC(C)CC3)C2)c1 ZINC000378167631 428322972 /nfs/dbraw/zinc/32/29/72/428322972.db2.gz BGEUALRJCISRJN-GOSISDBHSA-N 2 0 316.493 2.856 20 0 DFADRP CC[N@@H+]1CC[C@@H]([NH2+]C2CCN(c3cccc(C)n3)CC2)[C@@H](C)C1 ZINC000378168765 428325246 /nfs/dbraw/zinc/32/52/46/428325246.db2.gz MGUJWKYBKFBHJX-MAUKXSAKSA-N 2 0 316.493 2.679 20 0 DFADRP C[C@](O)(C[NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]12)C1CC1 ZINC000356838366 428331993 /nfs/dbraw/zinc/33/19/93/428331993.db2.gz ILTDXSOJMQTPKJ-MDNKFWRPSA-N 2 0 314.473 2.648 20 0 DFADRP C[NH+](C)[C@@H]1CCC[C@@H]([NH2+]C2CCN(CCC(F)(F)F)CC2)C1 ZINC000356872833 428342180 /nfs/dbraw/zinc/34/21/80/428342180.db2.gz PHSUAROHTOQYBS-HUUCEWRRSA-N 2 0 321.431 2.866 20 0 DFADRP C[NH+](C)[C@H]1CCC[C@@H]([NH2+]C2CCN(CCC(F)(F)F)CC2)C1 ZINC000356872831 428343584 /nfs/dbraw/zinc/34/35/84/428343584.db2.gz PHSUAROHTOQYBS-CABCVRRESA-N 2 0 321.431 2.866 20 0 DFADRP Cc1nn(-c2ccccc2)c(C)c1C[N@@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000346848973 428346044 /nfs/dbraw/zinc/34/60/44/428346044.db2.gz FXHIUAXUEAFCRF-ZYSHUDEJSA-N 2 0 310.445 2.658 20 0 DFADRP O=C(CC[N@@H+]1CC[C@]2(CC[NH2+]C2)C1)Nc1cccc2ccccc21 ZINC000360550270 428346059 /nfs/dbraw/zinc/34/60/59/428346059.db2.gz IIBHJSNCDFMMEG-FQEVSTJZSA-N 2 0 323.440 2.854 20 0 DFADRP CC(C)c1ccccc1NC(=O)[C@@H](C)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000360568712 428352242 /nfs/dbraw/zinc/35/22/42/428352242.db2.gz LGGBZOWPXFZELK-DNVCBOLYSA-N 2 0 315.461 2.822 20 0 DFADRP C[C@H]1CSC[C@H]1[NH2+]Cc1ccc(OCCC[NH+](C)C)cc1 ZINC000353014548 428353221 /nfs/dbraw/zinc/35/32/21/428353221.db2.gz DRLVDMIKTCPGLD-WMLDXEAASA-N 2 0 308.491 2.858 20 0 DFADRP CC(C)c1cccc(NC(=[NH2+])NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)c1 ZINC000360572434 428354645 /nfs/dbraw/zinc/35/46/45/428354645.db2.gz KHHSRUXFIYYZIC-IAGOWNOFSA-N 2 0 316.449 2.609 20 0 DFADRP Cc1ccc(CN2CC[C@]3(CC[N@H+](Cc4ccccc4)C3)C2)nn1 ZINC000414443175 428299196 /nfs/dbraw/zinc/29/91/96/428299196.db2.gz RPNMOVUWCJCRMA-FQEVSTJZSA-N 2 0 322.456 2.883 20 0 DFADRP Cc1ccccc1-c1nc(CN2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)no1 ZINC000342104321 428301542 /nfs/dbraw/zinc/30/15/42/428301542.db2.gz NSDQCRIUIJYNJS-BPUTZDHNSA-N 2 0 312.417 2.604 20 0 DFADRP CCc1ccc([C@@H]2CNCC[N@@H+]2C[C@H]2CC[NH2+][C@H](C)C2)cc1 ZINC000414728560 428388035 /nfs/dbraw/zinc/38/80/35/428388035.db2.gz CHIXDLAPSPBCRQ-AYBZRNKSSA-N 2 0 301.478 2.583 20 0 DFADRP Cc1ncsc1C[N@@H+](C)C[C@H]1CCN(C[C@@H]([NH3+])CC(C)C)C1 ZINC000414736874 428389897 /nfs/dbraw/zinc/38/98/97/428389897.db2.gz GUIYRSKPEYKKQN-CVEARBPZSA-N 2 0 324.538 2.579 20 0 DFADRP C[C@@H]1C[C@@H](C[N@@H+]2CCC[C@@H](C(=O)Nc3ccccc3)C2)CC[NH2+]1 ZINC000414743319 428390508 /nfs/dbraw/zinc/39/05/08/428390508.db2.gz VBMUOQKTBVFAFF-IXDOHACOSA-N 2 0 315.461 2.725 20 0 DFADRP CC(C)[N@H+](C[C@@H](O)COc1ccccc1)C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000414741838 428391379 /nfs/dbraw/zinc/39/13/79/428391379.db2.gz LDSLHHVMYQUQKS-KZNAEPCWSA-N 2 0 320.477 2.525 20 0 DFADRP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@@H+]2CCc1ccccc1F ZINC000346985364 428395403 /nfs/dbraw/zinc/39/54/03/428395403.db2.gz OPRAJFRTXBZYMY-NXHRZFHOSA-N 2 0 306.425 2.552 20 0 DFADRP COc1ccc(CC[C@H]2CCCC[N@@H+]2CCC[NH3+])cc1OC ZINC000414755490 428395888 /nfs/dbraw/zinc/39/58/88/428395888.db2.gz ZGAGEMJOSBJULB-MRXNPFEDSA-N 2 0 306.450 2.840 20 0 DFADRP O[C@@H]1c2ccccc2C[C@H]1[N@@H+]1CCC[C@@H](C[NH+]2CCCCC2)C1 ZINC000378443240 428397791 /nfs/dbraw/zinc/39/77/91/428397791.db2.gz RRNCCQVNURNZIO-PWIZWCRZSA-N 2 0 314.473 2.843 20 0 DFADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]C1CCN(CCC(F)(F)F)CC1 ZINC000414794157 428414223 /nfs/dbraw/zinc/41/42/23/428414223.db2.gz FHGGVECMNXOYOY-JSGCOSHPSA-N 2 0 307.404 2.510 20 0 DFADRP CCCN1CCC[C@@H]1C[NH2+][C@@H]1CN(Cc2ccccc2)C[C@@H]1C ZINC000353141360 428400107 /nfs/dbraw/zinc/40/01/07/428400107.db2.gz QMFNTJQEWSCTLV-DFQSSKMNSA-N 2 0 315.505 2.971 20 0 DFADRP O=c1[nH]c2ccccc2cc1C[N@@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000414775028 428400731 /nfs/dbraw/zinc/40/07/31/428400731.db2.gz GAYYVFBZROMNFP-HZPDHXFCSA-N 2 0 311.429 2.762 20 0 DFADRP COc1cccc(C[N@@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)c1OC ZINC000414775106 428401101 /nfs/dbraw/zinc/40/11/01/428401101.db2.gz GEZSSASMTFKSMY-GJZGRUSLSA-N 2 0 304.434 2.525 20 0 DFADRP c1cn(-c2ccc(C[N@@H+]3CCC[C@@H]([C@H]4CC[NH2+]C4)C3)cc2)cn1 ZINC000414775732 428404456 /nfs/dbraw/zinc/40/44/56/428404456.db2.gz GNJODKHCVHQSNP-ZWKOTPCHSA-N 2 0 310.445 2.694 20 0 DFADRP c1cnn(-c2ccc(C[N@@H+]3CCC[C@H]([C@@H]4CC[NH2+]C4)C3)cc2)c1 ZINC000414785297 428406497 /nfs/dbraw/zinc/40/64/97/428406497.db2.gz SIUJGYOQEUFVFE-MSOLQXFVSA-N 2 0 310.445 2.694 20 0 DFADRP COc1cc(C[N@@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)cc(OC)c1 ZINC000414781691 428407118 /nfs/dbraw/zinc/40/71/18/428407118.db2.gz NLSRLTDPZAOQRB-CVEARBPZSA-N 2 0 304.434 2.525 20 0 DFADRP c1cn(-c2ccccc2)c(C[N@@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)n1 ZINC000414784083 428407373 /nfs/dbraw/zinc/40/73/73/428407373.db2.gz QSYRBKRXXXRLRA-IRXDYDNUSA-N 2 0 310.445 2.694 20 0 DFADRP c1cnn(-c2ccc(C[N@@H+]3CCC[C@@H]([C@@H]4CC[NH2+]C4)C3)cc2)c1 ZINC000414785299 428407729 /nfs/dbraw/zinc/40/77/29/428407729.db2.gz SIUJGYOQEUFVFE-QZTJIDSGSA-N 2 0 310.445 2.694 20 0 DFADRP CN(Cc1nc2cccnc2s1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000353157357 428407791 /nfs/dbraw/zinc/40/77/91/428407791.db2.gz VTQNNBZOIRPQMX-FUNVUKJBSA-N 2 0 302.447 2.748 20 0 DFADRP Cc1nn(-c2ccc(Cl)cc2)cc1CN1CC[C@@H](C[NH3+])C1 ZINC000347010259 428408871 /nfs/dbraw/zinc/40/88/71/428408871.db2.gz GFZFJYMANSWLPE-ZDUSSCGKSA-N 2 0 304.825 2.615 20 0 DFADRP c1cn2c(n1)CC[C@H]([NH2+][C@H](c1ccccc1)c1ccccn1)C2 ZINC000378492907 428411900 /nfs/dbraw/zinc/41/19/00/428411900.db2.gz HPOYRFAXFIRUGB-QFBILLFUSA-N 2 0 304.397 2.972 20 0 DFADRP [NH3+]C[C@@H]1CCC[C@H]1[NH2+]Cc1ccc(OCc2ccccn2)cc1 ZINC000414792575 428412907 /nfs/dbraw/zinc/41/29/07/428412907.db2.gz CJHRXBVRLDMIEV-QFBILLFUSA-N 2 0 311.429 2.878 20 0 DFADRP [NH3+]C[C@H]1CCC[C@@H]1[NH2+]Cc1cccc(OCc2ccccn2)c1 ZINC000414791177 428413361 /nfs/dbraw/zinc/41/33/61/428413361.db2.gz HGWDTJXZNTWVMH-APWZRJJASA-N 2 0 311.429 2.878 20 0 DFADRP C[C@@H]1CCC[C@H](C[N@@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@H](C)C2)C1 ZINC000356985370 428369070 /nfs/dbraw/zinc/36/90/70/428369070.db2.gz NZKCITJWVMRBHQ-AKHDSKFASA-N 2 0 307.526 2.771 20 0 DFADRP C[N@H+](Cc1ccccc1)CC(C)(C)C[NH2+]C[C@@H](CO)C1CC1 ZINC000353059685 428370792 /nfs/dbraw/zinc/37/07/92/428370792.db2.gz HQDDBKCMMRUFBD-SFHVURJKSA-N 2 0 304.478 2.753 20 0 DFADRP C[N@@H+]1CCC[C@H]1CC[NH+]1CCC(O)(Cc2ccc(F)cc2)CC1 ZINC000360617852 428370808 /nfs/dbraw/zinc/37/08/08/428370808.db2.gz HICPUPXGRHREMC-SFHVURJKSA-N 2 0 320.452 2.679 20 0 DFADRP CC[N@@H+](Cc1nc2ccccc2c(=O)[nH]1)C[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000414675532 428372771 /nfs/dbraw/zinc/37/27/71/428372771.db2.gz TYLVUFNYBWVPMB-UONOGXRCSA-N 2 0 314.433 2.545 20 0 DFADRP COc1cc(C)c(C[NH+]2CCC([C@@H]3CC[NH2+]C3)CC2)cc1OC ZINC000357050328 428374794 /nfs/dbraw/zinc/37/47/94/428374794.db2.gz MEUPZNRFCSAQID-MRXNPFEDSA-N 2 0 318.461 2.834 20 0 DFADRP C[C@H](CC(=O)Nc1cccc(Cl)c1)[NH2+][C@@H]1CCC[C@H]1C[NH3+] ZINC000414794902 428413559 /nfs/dbraw/zinc/41/35/59/428413559.db2.gz GDJGWKBMGNUTEL-TYNCELHUSA-N 2 0 309.841 2.774 20 0 DFADRP C[C@@H]1C[C@@H](C[N@H+](C)[C@@H]2CCCN(c3ccccc3)C2)CC[NH2+]1 ZINC000414698146 428378160 /nfs/dbraw/zinc/37/81/60/428378160.db2.gz IPPRKZCMOFBPDF-ZIFCJYIRSA-N 2 0 301.478 2.975 20 0 DFADRP CC(C)C[C@H](N)C[N@H+](C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000414703575 428381869 /nfs/dbraw/zinc/38/18/69/428381869.db2.gz CLOWDXOJQXNSNB-KRWDZBQOSA-N 2 0 304.482 2.603 20 0 DFADRP COc1ccncc1C[NH+]1CCC(CCCn2ccnc2)CC1 ZINC000346953428 428382112 /nfs/dbraw/zinc/38/21/12/428382112.db2.gz FAXXGUZLKZXFQM-UHFFFAOYSA-N 2 0 314.433 2.979 20 0 DFADRP Cc1cc([C@@H]2C[N@H+](C[C@@H]3CC[NH2+][C@@H](C)C3)CCO2)ccc1F ZINC000414718544 428385597 /nfs/dbraw/zinc/38/55/97/428385597.db2.gz ZHNZEYMXQFILQK-DAYGRLMNSA-N 2 0 306.425 2.896 20 0 DFADRP C[C@@H]1C[C@H](C[N@@H+]2C[C@H](C)O[C@@H](c3ccc(F)cc3)C2)CC[NH2+]1 ZINC000414715948 428385755 /nfs/dbraw/zinc/38/57/55/428385755.db2.gz WINCYHSHUWGTQR-BASYENTBSA-N 2 0 306.425 2.976 20 0 DFADRP [NH3+]CC(=O)N1CCC[C@@H](C[N@@H+]2CCC[C@@H]2CCC2CCCC2)C1 ZINC000414715442 428386026 /nfs/dbraw/zinc/38/60/26/428386026.db2.gz WUGCARZAYWNWCL-ZWKOTPCHSA-N 2 0 321.509 2.619 20 0 DFADRP Cc1ccccc1NC(=O)C[C@@H](C)[NH2+]CC1([NH3+])CCCCC1 ZINC000414846496 428433390 /nfs/dbraw/zinc/43/33/90/428433390.db2.gz SSFPVJPALVTHIW-OAHLLOKOSA-N 2 0 303.450 2.963 20 0 DFADRP Cc1ccc(NC(=O)C[C@H](C)[NH2+]CC[C@H]2CCC[NH2+]C2)c(C)c1 ZINC000414845310 428433593 /nfs/dbraw/zinc/43/35/93/428433593.db2.gz SEJTYMATILBHLE-DLBZAZTESA-N 2 0 317.477 3.000 20 0 DFADRP COc1ccc(-c2n[nH]cc2C[NH2+]CC[C@@H]2CCC[NH2+]C2)cc1 ZINC000414850869 428433610 /nfs/dbraw/zinc/43/36/10/428433610.db2.gz NJOUJJPPEGBGAO-AWEZNQCLSA-N 2 0 314.433 2.565 20 0 DFADRP C[NH2+]C[C@H](C)C[NH2+]C1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000414847628 428433862 /nfs/dbraw/zinc/43/38/62/428433862.db2.gz WCOWXYGYOIXWNI-AWEZNQCLSA-N 2 0 309.885 2.750 20 0 DFADRP CC[NH+]1CCN(CCC[NH2+][C@H](C)C2CCC(F)(F)CC2)CC1 ZINC000353227695 428438454 /nfs/dbraw/zinc/43/84/54/428438454.db2.gz BQLGGGHFWSKAMH-OAHLLOKOSA-N 2 0 317.468 2.818 20 0 DFADRP CC[C@@H]1C[C@H](C[NH2+]CC2(SC)CC[NH+](C)CC2)CCO1 ZINC000353225568 428438649 /nfs/dbraw/zinc/43/86/49/428438649.db2.gz XOXOKZYMIHBSNM-HUUCEWRRSA-N 2 0 300.512 2.609 20 0 DFADRP Clc1cc(CN[C@H]2CCC[NH2+]C2)ccc1Br ZINC000414871246 428440246 /nfs/dbraw/zinc/44/02/46/428440246.db2.gz UHHQKJNJCXVGBZ-JTQLQIEISA-N 2 0 303.631 2.944 20 0 DFADRP CC(C)c1ccc(NC(=O)C[C@@H](C)[NH2+]C[C@@H]([NH3+])C2CC2)cc1 ZINC000414881390 428443007 /nfs/dbraw/zinc/44/30/07/428443007.db2.gz AIWIEYBRXVGBHN-CXAGYDPISA-N 2 0 303.450 2.854 20 0 DFADRP C[C@@H]1CN(Cc2ccccc2)C[C@H]1[NH2+]CCOC(F)(F)F ZINC000353237812 428443638 /nfs/dbraw/zinc/44/36/38/428443638.db2.gz OCSGOIRLDAOJAE-TZMCWYRMSA-N 2 0 302.340 2.633 20 0 DFADRP CS[C@H](CO)[C@H](C)[NH2+][C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000357228214 428444439 /nfs/dbraw/zinc/44/44/39/428444439.db2.gz FPRLUPWSEOYUQV-UOVPBQLFSA-N 2 0 322.518 2.599 20 0 DFADRP CCCOc1c(Cl)cc(C[NH2+]C[C@@H](C)C[NH3+])cc1OC ZINC000414880030 428444801 /nfs/dbraw/zinc/44/48/01/428444801.db2.gz QIYOSFUMMCAXCO-NSHDSACASA-N 2 0 300.830 2.822 20 0 DFADRP C[NH+](C)CC[C@@H](NC(=O)C1C[C@H]2CCC[C@@H](C1)C2[NH3+])C(C)(C)C ZINC000357229309 428445753 /nfs/dbraw/zinc/44/57/53/428445753.db2.gz VPCRVDTUCTUPQU-QSFKDOLUSA-N 2 0 323.525 2.623 20 0 DFADRP C[C@@H]([NH3+])C1CC[NH+](Cc2cn(C)nc2-c2cccs2)CC1 ZINC000347106859 428447122 /nfs/dbraw/zinc/44/71/22/428447122.db2.gz NVHGQSOOZSSTQJ-GFCCVEGCSA-N 2 0 304.463 2.708 20 0 DFADRP C[C@@]1(C[NH2+]Cc2ccc(OC[C@@H]3CCCO3)cc2)CCC[NH2+]C1 ZINC000414898603 428450246 /nfs/dbraw/zinc/45/02/46/428450246.db2.gz GMIPRPHQWPVTJJ-RBUKOAKNSA-N 2 0 318.461 2.724 20 0 DFADRP C[C@H]1C[C@H](NC(=O)CCC(C)(C)[NH3+])CC[N@@H+]1Cc1ccccc1 ZINC000379664606 428450766 /nfs/dbraw/zinc/45/07/66/428450766.db2.gz PTGUJFCJMHHHIA-DOTOQJQBSA-N 2 0 317.477 2.673 20 0 DFADRP CSc1cc2c(cc1C[NH+]1CCC([C@H](C)[NH3+])CC1)OCCO2 ZINC000347114681 428452385 /nfs/dbraw/zinc/45/23/85/428452385.db2.gz UNFZKGUSCMMPML-LBPRGKRZSA-N 2 0 322.474 2.739 20 0 DFADRP COC1(C[NH2+][C@@H]2CC[N@H+](C[C@@H]3CCCO3)C[C@H]2C)CCCCC1 ZINC000372486105 428454114 /nfs/dbraw/zinc/45/41/14/428454114.db2.gz HGDGWANMKOHOKH-FGTMMUONSA-N 2 0 324.509 2.815 20 0 DFADRP COc1ccc(CC[C@@H](C)[NH2+]CC2(C)CC[NH2+]CC2)cc1O ZINC000414911554 428454621 /nfs/dbraw/zinc/45/46/21/428454621.db2.gz UNJFTFDDKUJNQF-CQSZACIVSA-N 2 0 306.450 2.701 20 0 DFADRP COc1ccc(C[C@H](C)C[NH2+]CC2(C)CC[NH2+]CC2)cc1F ZINC000414909440 428454946 /nfs/dbraw/zinc/45/49/46/428454946.db2.gz RVBIEOQNHGMSDU-AWEZNQCLSA-N 2 0 308.441 2.992 20 0 DFADRP CC(C)c1ccccc1NC(=O)C[C@H](C)[NH2+]C[C@H]1CC[NH2+]C1 ZINC000414916229 428456676 /nfs/dbraw/zinc/45/66/76/428456676.db2.gz PEAVQLMDOVGRJZ-GJZGRUSLSA-N 2 0 303.450 2.726 20 0 DFADRP C[C@@H](CCc1ccc2c(c1)OCO2)[NH2+]C[C@@]1(C)CCC[NH2+]C1 ZINC000414919320 428457234 /nfs/dbraw/zinc/45/72/34/428457234.db2.gz WRRIEZULWYPDQU-KSSFIOAISA-N 2 0 304.434 2.716 20 0 DFADRP Cc1nn2c(C[NH+]3CCC([C@@H](C)[NH3+])CC3)c(C(C)C)nc2s1 ZINC000347126824 428458918 /nfs/dbraw/zinc/45/89/18/428458918.db2.gz YIWCGSSIPJOHQG-LLVKDONJSA-N 2 0 321.494 2.782 20 0 DFADRP COc1ccc(C[NH2+][C@H]2CCC[C@H]([NH3+])C2)c(OC(F)F)c1 ZINC000414929646 428460876 /nfs/dbraw/zinc/46/08/76/428460876.db2.gz RWILLLFULMUYQG-RYUDHWBXSA-N 2 0 300.349 2.656 20 0 DFADRP [NH3+][C@H]1CCC[C@H]([NH2+]Cc2ccc(OCC(F)(F)F)cc2)C1 ZINC000414925808 428461171 /nfs/dbraw/zinc/46/11/71/428461171.db2.gz MICHQUJYEBAMEH-STQMWFEESA-N 2 0 302.340 2.987 20 0 DFADRP C[C@@H]([NH2+][C@@H](C)CCN1CC[NH+](C)CC1)C1CCC(F)(F)CC1 ZINC000353276005 428462293 /nfs/dbraw/zinc/46/22/93/428462293.db2.gz UUMQNRHOACBDMM-LSDHHAIUSA-N 2 0 317.468 2.816 20 0 DFADRP C[C@H]1C[C@@H]([NH2+]Cc2cccc(OCc3ccccn3)c2)CC[NH2+]1 ZINC000414944838 428466694 /nfs/dbraw/zinc/46/66/94/428466694.db2.gz HJWXZAXGBPWKPZ-RDJZCZTQSA-N 2 0 311.429 2.891 20 0 DFADRP C[C@H]1C[NH2+]CC[C@@H]1[NH2+]C1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000414946122 428467012 /nfs/dbraw/zinc/46/70/12/428467012.db2.gz SPZUXTLLFBJBGR-KSSFIOAISA-N 2 0 321.896 2.892 20 0 DFADRP C[C@@H]([NH2+]CCCC[NH+](C)C)c1ccc(-n2cncn2)cc1Cl ZINC000360863160 428469354 /nfs/dbraw/zinc/46/93/54/428469354.db2.gz ZMXCSCRRUBDFPF-CYBMUJFWSA-N 2 0 321.856 2.913 20 0 DFADRP CC(C)Oc1ccc(C[N@@H+]2C[C@H](C[NH3+])C3(C2)CCOCC3)cc1 ZINC000414798785 428415323 /nfs/dbraw/zinc/41/53/23/428415323.db2.gz ZHBGGRRTIJZUBN-KRWDZBQOSA-N 2 0 318.461 2.661 20 0 DFADRP COc1ccc(NC(=O)C[C@H](C)[NH2+][C@H]2CCCC[C@H]2C[NH3+])cc1 ZINC000414799926 428415704 /nfs/dbraw/zinc/41/57/04/428415704.db2.gz KIPWAARHWRMLEL-ZQIUZPCESA-N 2 0 319.449 2.519 20 0 DFADRP [NH3+][C@@H]1CCO[C@H]1C1CC[NH+](Cc2ccc(Cl)c(F)c2)CC1 ZINC000414797631 428417330 /nfs/dbraw/zinc/41/73/30/428417330.db2.gz YQEMPUHMECHTPY-CVEARBPZSA-N 2 0 312.816 2.807 20 0 DFADRP Cc1ccc(NC(=O)C[C@H](C)[NH2+][C@@H]2CCC[C@@H]2C[NH3+])c(C)c1 ZINC000414798475 428417345 /nfs/dbraw/zinc/41/73/45/428417345.db2.gz JGGNCSQPHHJSHV-ZMSDIMECSA-N 2 0 303.450 2.738 20 0 DFADRP Cc1csc(N2CCC([NH2+][C@@H]3CCCC[C@@H]3C[NH3+])CC2)n1 ZINC000414811900 428418424 /nfs/dbraw/zinc/41/84/24/428418424.db2.gz WWRYVRNKVJPXRL-UKRRQHHQSA-N 2 0 308.495 2.527 20 0 DFADRP C[C@@H]([NH3+])c1ccc(C[NH2+][C@H](C)CC(=O)N2CCCCCC2)cc1 ZINC000414809942 428418604 /nfs/dbraw/zinc/41/86/04/428418604.db2.gz HITZJAKHSILKIW-HZPDHXFCSA-N 2 0 317.477 2.977 20 0 DFADRP CC(C)n1ncc2cc(C[NH2+][C@@H]3CCCC[C@H]3C[NH3+])cnc21 ZINC000414809817 428418761 /nfs/dbraw/zinc/41/87/61/428418761.db2.gz UOFRIAYZJUIPKP-GOEBONIOSA-N 2 0 301.438 2.619 20 0 DFADRP [NH3+]C[C@H]1CCC[C@@H]1[NH2+]Cc1ccc(Br)c(F)c1 ZINC000414811864 428418946 /nfs/dbraw/zinc/41/89/46/428418946.db2.gz WTYQGSZVXPHGIL-MFKMUULPSA-N 2 0 301.203 2.805 20 0 DFADRP C[C@@H]([NH3+])c1ccc(C[NH2+][C@@H](C)CC(=O)N2CCCCCC2)cc1 ZINC000414809943 428419347 /nfs/dbraw/zinc/41/93/47/428419347.db2.gz HITZJAKHSILKIW-JKSUJKDBSA-N 2 0 317.477 2.977 20 0 DFADRP C[C@@H]([NH2+]Cc1ccc(-c2cnn(C)c2)s1)[C@H]1CCC[NH2+]C1 ZINC000414817497 428420927 /nfs/dbraw/zinc/42/09/27/428420927.db2.gz ARIBSEQRCUQEDY-OLZOCXBDSA-N 2 0 304.463 2.626 20 0 DFADRP C[C@H](CC(=O)Nc1ccc(F)cc1)[NH2+][C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000414823124 428423640 /nfs/dbraw/zinc/42/36/40/428423640.db2.gz AZRVLMNZBMRGKC-HZSPNIEDSA-N 2 0 307.413 2.521 20 0 DFADRP Cc1ccc(Cl)cc1NC(=O)C[C@@H](C)[NH2+]C[C@@H]1CCC[NH2+]C1 ZINC000414824898 428423861 /nfs/dbraw/zinc/42/38/61/428423861.db2.gz GHFHZYVKNBZEDO-ZIAGYGMSSA-N 2 0 323.868 2.955 20 0 DFADRP Clc1cc(C[NH2+]CC[C@@H]2CC[NH2+]C2)cc2c1OCCCO2 ZINC000414828257 428424346 /nfs/dbraw/zinc/42/43/46/428424346.db2.gz INOKWBKYSIBGBD-LBPRGKRZSA-N 2 0 310.825 2.591 20 0 DFADRP Clc1ccc(CN2CCC([NH2+]C[C@@H]3CCC[NH2+]C3)CC2)cc1 ZINC000414829104 428427440 /nfs/dbraw/zinc/42/74/40/428427440.db2.gz NCBRXZHXAAMHRV-MRXNPFEDSA-N 2 0 321.896 2.894 20 0 DFADRP CCN(CC[C@H]1CCCC[N@@H+]1C)CC(=O)N1CCCCCC1 ZINC000353199657 428427668 /nfs/dbraw/zinc/42/76/68/428427668.db2.gz KMJAVFSFLMHVBD-QGZVFWFLSA-N 2 0 309.498 2.585 20 0 DFADRP Cc1nn(-c2ccccn2)c(C)c1CNC[C@H]([NH3+])c1ccccc1 ZINC000414835879 428428284 /nfs/dbraw/zinc/42/82/84/428428284.db2.gz SABSQAMBRLXMHU-SFHVURJKSA-N 2 0 321.428 2.674 20 0 DFADRP Cc1cc(C[NH2+]CC[C@H]2CC[NH2+]C2)sc1Br ZINC000414835368 428428353 /nfs/dbraw/zinc/42/83/53/428428353.db2.gz RPOCBGGGNKOVTA-SNVBAGLBSA-N 2 0 303.269 2.908 20 0 DFADRP C[C@@H](CC(=O)Nc1cccc(F)c1)[NH2+]CC[C@@H]1CCC[NH2+]C1 ZINC000414830203 428428526 /nfs/dbraw/zinc/42/85/26/428428526.db2.gz BYBXZFDEVNBUJA-KBPBESRZSA-N 2 0 307.413 2.522 20 0 DFADRP Cc1noc(C2(C)CCN(CC[C@H]3CCCC[N@H+]3C)CC2)n1 ZINC000378580600 428429112 /nfs/dbraw/zinc/42/91/12/428429112.db2.gz LSLAPPSJHOLXMI-OAHLLOKOSA-N 2 0 306.454 2.606 20 0 DFADRP CCc1ccccc1NC(=O)C[C@@H](C)[NH2+]CC[C@H]1CCC[NH2+]C1 ZINC000414836480 428429742 /nfs/dbraw/zinc/42/97/42/428429742.db2.gz JKXVZPFYUDMJTE-HZPDHXFCSA-N 2 0 317.477 2.945 20 0 DFADRP Cc1ccc(NC(=O)C[C@@H](C)[NH2+]C[C@@H]2CCC[NH2+]C2)cc1Cl ZINC000414838520 428429751 /nfs/dbraw/zinc/42/97/51/428429751.db2.gz WYVCYCTXAYOTQN-ZIAGYGMSSA-N 2 0 323.868 2.955 20 0 DFADRP C[C@@H]([NH2+]Cc1cc(Cl)c2c(c1)OCCO2)[C@@H]1CCC[NH2+]C1 ZINC000414846933 428433265 /nfs/dbraw/zinc/43/32/65/428433265.db2.gz FMGBBZLDBHEBET-DGCLKSJQSA-N 2 0 310.825 2.589 20 0 DFADRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@@H]1CCCC[C@H]1[C@@H]1CCOC1 ZINC000353316898 428482348 /nfs/dbraw/zinc/48/23/48/428482348.db2.gz VMIPIURJTNAISP-ZJPYXAASSA-N 2 0 312.498 2.528 20 0 DFADRP COc1ccc(OC(F)F)c(C[NH+]2CCC([C@@H](C)[NH3+])CC2)c1 ZINC000347179139 428482654 /nfs/dbraw/zinc/48/26/54/428482654.db2.gz SUZKHTPVIFDHCS-LLVKDONJSA-N 2 0 314.376 2.856 20 0 DFADRP CC[C@@H]([NH3+])C[NH2+][C@H](C)Cc1ccc(Br)cc1F ZINC000414996364 428483167 /nfs/dbraw/zinc/48/31/67/428483167.db2.gz XQNFAHCEJYJATF-BXKDBHETSA-N 2 0 303.219 2.846 20 0 DFADRP CC(C)[NH+]1CCC([NH2+]C[C@@H]2Cc3ccccc3N(C)C2)CC1 ZINC000372679611 428485736 /nfs/dbraw/zinc/48/57/36/428485736.db2.gz FXKXFPOOKBHCGI-INIZCTEOSA-N 2 0 301.478 2.758 20 0 DFADRP CCOc1c(C[NH2+]C[C@H]2CCC[C@@H]([NH3+])C2)c(C)nn1CC(C)C ZINC000414999748 428485909 /nfs/dbraw/zinc/48/59/09/428485909.db2.gz SGOZFLXFENSKRF-JKSUJKDBSA-N 2 0 322.497 2.853 20 0 DFADRP CC(C)(C)CC(=O)N1CCC([NH2+]C[C@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000414998052 428485926 /nfs/dbraw/zinc/48/59/26/428485926.db2.gz HSKFPUDQBAIPMT-LSDHHAIUSA-N 2 0 309.498 2.521 20 0 DFADRP CC(C)N1CCc2nc(C[NH2+]C[C@H]3CCC[C@@H]([NH3+])C3)sc2C1 ZINC000415002333 428486209 /nfs/dbraw/zinc/48/62/09/428486209.db2.gz MBUBKHUVTGAQRK-UONOGXRCSA-N 2 0 322.522 2.517 20 0 DFADRP CCc1noc(C2CCC([NH2+]C[C@H]3CCC[C@H]([NH3+])C3)CC2)n1 ZINC000415001270 428486230 /nfs/dbraw/zinc/48/62/30/428486230.db2.gz KTSXMTZCLBGWSK-LQULJDIASA-N 2 0 306.454 2.765 20 0 DFADRP [NH3+][C@H]1CCC[C@H](C[NH2+]Cc2ccnn2-c2ccc(F)cc2)C1 ZINC000415008880 428488013 /nfs/dbraw/zinc/48/80/13/428488013.db2.gz STRDQGMLSLFPQS-ZFWWWQNUSA-N 2 0 302.397 2.619 20 0 DFADRP CC1(C)Cc2cccc(C[NH2+][C@@H]3C[C@H]3C3CC[NH2+]CC3)c2O1 ZINC000415011648 428488084 /nfs/dbraw/zinc/48/80/84/428488084.db2.gz RAXBQESAZQBVIS-DLBZAZTESA-N 2 0 300.446 2.878 20 0 DFADRP COc1cc(C[NH2+]C[C@H]2CCC[C@@H]([NH3+])C2)ccc1OC(F)F ZINC000415005951 428488455 /nfs/dbraw/zinc/48/84/55/428488455.db2.gz ZOEVVXBNOKYVAW-WCQYABFASA-N 2 0 314.376 2.904 20 0 DFADRP C[C@@H]1C[C@@H](N[C@@H]2C[NH2+]CCC2(F)F)CC[N@@H+]1Cc1ccccc1 ZINC000415008010 428488611 /nfs/dbraw/zinc/48/86/11/428488611.db2.gz VLJKWJHOFMYBPG-HYVNUMGLSA-N 2 0 323.431 2.626 20 0 DFADRP CSc1cc2c(cc1C[NH2+]C[C@H]1CCC[C@H]([NH3+])C1)OCCO2 ZINC000415005071 428488897 /nfs/dbraw/zinc/48/88/97/428488897.db2.gz YVSBDSFEHHNZSA-JSGCOSHPSA-N 2 0 322.474 2.787 20 0 DFADRP COC1CC([NH2+]Cc2ccc(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)C1 ZINC000347194588 428489386 /nfs/dbraw/zinc/48/93/86/428489386.db2.gz HQHHFXQTYYFWFY-MYMYQCDVSA-N 2 0 318.461 2.563 20 0 DFADRP C[C@H](CCC[NH3+])[NH2+]C1CCN(C(=O)c2ccccc2Cl)CC1 ZINC000415025906 428490495 /nfs/dbraw/zinc/49/04/95/428490495.db2.gz SAPOATJITQAJSF-CYBMUJFWSA-N 2 0 323.868 2.662 20 0 DFADRP Cc1nn(-c2ccc(F)cc2)c(C)c1C[NH2+][C@@H](C)CCC[NH3+] ZINC000415024885 428490650 /nfs/dbraw/zinc/49/06/50/428490650.db2.gz PUAFLKIQYHOBDC-LBPRGKRZSA-N 2 0 304.413 2.845 20 0 DFADRP [NH3+]C[C@@H]1CC[C@@H]([NH2+]C2CCN(CCc3ccc(F)cc3)CC2)C1 ZINC000415029553 428492486 /nfs/dbraw/zinc/49/24/86/428492486.db2.gz DUBBJKKNJRIYSS-VQIMIIECSA-N 2 0 319.468 2.550 20 0 DFADRP [NH3+]C[C@H]1CC[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC000415028132 428493873 /nfs/dbraw/zinc/49/38/73/428493873.db2.gz CGQGNQZLJCDPNL-XIBWBMNSSA-N 3 0 313.489 2.899 20 0 DFADRP COc1ccc(C[NH2+][C@@H]2CC[C@H](C[NH3+])C2)cc1OC(F)F ZINC000415034214 428494991 /nfs/dbraw/zinc/49/49/91/428494991.db2.gz JQMQZOYOUZQKES-CMPLNLGQSA-N 2 0 300.349 2.514 20 0 DFADRP COc1ccc(-c2n[nH]cc2C[N@@H+]2CCC[C@@H]([C@@H](C)[NH3+])C2)cc1 ZINC000347216037 428496169 /nfs/dbraw/zinc/49/61/69/428496169.db2.gz QZMNMILKIFAWRV-UKRRQHHQSA-N 2 0 314.433 2.645 20 0 DFADRP [NH3+][C@@H]1CCO[C@@H](C2CC[NH+](C/C=C\c3ccccc3)CC2)C1 ZINC000415131063 428531326 /nfs/dbraw/zinc/53/13/26/428531326.db2.gz YKNBJHIZQQLEEF-ZSKSOVMSSA-N 2 0 300.446 2.918 20 0 DFADRP c1ccc(CC(C[NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)Cc2ccccc2)cc1 ZINC000415047890 428498670 /nfs/dbraw/zinc/49/86/70/428498670.db2.gz YXNJMGUEBJCHMZ-AERCQKQUSA-N 2 0 306.453 2.895 20 0 DFADRP Cc1ccccc1[C@@H](C)[NH2+][C@H](CC(C)C)C(=O)NCC[NH+](C)C ZINC000347219921 428499251 /nfs/dbraw/zinc/49/92/51/428499251.db2.gz DASUDVCTVZAYOC-SJLPKXTDSA-N 2 0 319.493 2.738 20 0 DFADRP C[NH2+][C@@H](CC(C)(C)C)C(=O)NCCC[N@H+](C)C1CCCCC1 ZINC000395711096 428499701 /nfs/dbraw/zinc/49/97/01/428499701.db2.gz PZWOCGQZIDQTIF-INIZCTEOSA-N 2 0 311.514 2.781 20 0 DFADRP Cc1ccccc1NC(=O)C[C@@H](C)[N@@H+]1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000415052490 428500419 /nfs/dbraw/zinc/50/04/19/428500419.db2.gz HTDZDHRZKLMLRG-IIDMSEBBSA-N 2 0 303.450 2.629 20 0 DFADRP CSc1ccc(C[NH2+]C2CCC([NH+]3CCNCC3)CC2)cc1 ZINC000415051931 428501846 /nfs/dbraw/zinc/50/18/46/428501846.db2.gz KALYNLOTZOMLEV-UHFFFAOYSA-N 2 0 319.518 2.715 20 0 DFADRP CCOc1c(C[NH+]2CCC(C[NH2+]C)CC2)c(C)nn1CC(C)C ZINC000347230818 428503252 /nfs/dbraw/zinc/50/32/52/428503252.db2.gz XVSDFUYOYUDUOZ-UHFFFAOYSA-N 2 0 322.497 2.678 20 0 DFADRP C[C@@H]1C[N@H+](Cc2cnc(-c3ccncc3)s2)C[C@@]1(C)C[NH3+] ZINC000415055271 428503469 /nfs/dbraw/zinc/50/34/69/428503469.db2.gz NZWXHLZKXDKEKQ-MLGOLLRUSA-N 2 0 302.447 2.622 20 0 DFADRP C[C@H](O)C[NH+]1CCC(C[N@H+](C)C[C@H]2C[C@@H]2c2ccccc2)CC1 ZINC000353364675 428503645 /nfs/dbraw/zinc/50/36/45/428503645.db2.gz OMCWTWNPTUCHTL-PWIZWCRZSA-N 2 0 316.489 2.815 20 0 DFADRP C[C@@H]1CN(C2CC[NH+]([C@H]3CCCC[C@@H]3C)CC2)C[C@@]1(C)C[NH3+] ZINC000415054316 428503657 /nfs/dbraw/zinc/50/36/57/428503657.db2.gz LSYFZCZBMMDCJQ-OGWHTMIXSA-N 2 0 307.526 2.946 20 0 DFADRP C[C@H](N[C@@H]1CCC[NH2+][C@@H]1C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000396698508 428505134 /nfs/dbraw/zinc/50/51/34/428505134.db2.gz KHZWGJLEEDMONN-OGWHTMIXSA-N 2 0 301.478 2.627 20 0 DFADRP CC(C)Oc1ccc([C@H]2CCC[C@H]2[NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)cc1 ZINC000415062685 428505813 /nfs/dbraw/zinc/50/58/13/428505813.db2.gz MTBSLVKDJUAJEH-FQBWVUSXSA-N 2 0 300.446 2.917 20 0 DFADRP C[C@H](Cc1ccc(F)cc1)[NH2+]C1CCC([NH+]2CCNCC2)CC1 ZINC000415060702 428506567 /nfs/dbraw/zinc/50/65/67/428506567.db2.gz XIMUDRMDZXUIGI-VNCLNFNDSA-N 2 0 319.468 2.563 20 0 DFADRP C[C@H](CCc1ccsc1)[NH2+]C1CCC([NH+]2CCNCC2)CC1 ZINC000415060050 428506827 /nfs/dbraw/zinc/50/68/27/428506827.db2.gz VZNYHXLQKYSAKP-FAEJEUNOSA-N 2 0 321.534 2.875 20 0 DFADRP C[C@@H](CC(=O)Nc1cccc(Cl)c1)[N@@H+]1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000415061739 428506856 /nfs/dbraw/zinc/50/68/56/428506856.db2.gz XDSSKVVVHBEFFS-IIYDPXPESA-N 2 0 323.868 2.974 20 0 DFADRP Clc1ccc(C[NH2+]C2CCC(N3CC[NH2+]CC3)CC2)s1 ZINC000415061008 428507164 /nfs/dbraw/zinc/50/71/64/428507164.db2.gz XQFWDCRLSQDNRK-UHFFFAOYSA-N 2 0 313.898 2.708 20 0 DFADRP C[C@@H](CCc1ccsc1)[NH2+]C1CCC([NH+]2CCNCC2)CC1 ZINC000415060051 428507861 /nfs/dbraw/zinc/50/78/61/428507861.db2.gz VZNYHXLQKYSAKP-ZLPCBKJTSA-N 2 0 321.534 2.875 20 0 DFADRP C[C@@H]1C[C@H](N[C@H]2CCCC[NH2+]C2)CC[N@@H+]1Cc1ccccc1 ZINC000415067033 428509013 /nfs/dbraw/zinc/50/90/13/428509013.db2.gz JWOBYIQEBHPFGD-QRQLOZEOSA-N 2 0 301.478 2.771 20 0 DFADRP CCc1ccccc1NC(=O)C[C@@H](C)[NH2+]CCC[NH2+]C1CC1 ZINC000415071318 428509488 /nfs/dbraw/zinc/50/94/88/428509488.db2.gz SMQXMLVTSVBUCZ-CQSZACIVSA-N 2 0 303.450 2.698 20 0 DFADRP [NH3+]C[C@@H](NC1CC[NH+](CCC(F)(F)F)CC1)C1CCCC1 ZINC000415067807 428510115 /nfs/dbraw/zinc/51/01/15/428510115.db2.gz PTVHLQPIHSFYPF-CQSZACIVSA-N 2 0 307.404 2.510 20 0 DFADRP C[C@@H]1C[C@H](C)[N@H+](CCC(=O)Nc2ccccc2Cl)C[C@H]1C[NH3+] ZINC000397338205 428510381 /nfs/dbraw/zinc/51/03/81/428510381.db2.gz CLDUSZJNSPYPAX-HZSPNIEDSA-N 2 0 323.868 2.974 20 0 DFADRP C[C@@H]([NH2+]CC1(O)CC[NH+](Cc2ccccc2)CC1)C1(C)CC1 ZINC000397484311 428513366 /nfs/dbraw/zinc/51/33/66/428513366.db2.gz ACWJOVLJPUWJEM-MRXNPFEDSA-N 2 0 302.462 2.792 20 0 DFADRP CC(C)(C)[C@@H]([NH2+]C[C@@H]1CCCN(C(=O)C[NH3+])C1)c1ccccc1 ZINC000415082782 428513542 /nfs/dbraw/zinc/51/35/42/428513542.db2.gz MCCZQNMSMPKDGY-YJBOKZPZSA-N 2 0 317.477 2.561 20 0 DFADRP CC(C)(C)[C@H]([NH2+]C[C@H]1CCCN(C(=O)C[NH3+])C1)c1ccccc1 ZINC000415082773 428513593 /nfs/dbraw/zinc/51/35/93/428513593.db2.gz MCCZQNMSMPKDGY-CRAIPNDOSA-N 2 0 317.477 2.561 20 0 DFADRP COc1ccc(C[NH2+][C@H](C)[C@H]2CC[NH2+]C2)c(C(F)(F)F)c1 ZINC000415076523 428513747 /nfs/dbraw/zinc/51/37/47/428513747.db2.gz CTVJUCCPNOZGMZ-MNOVXSKESA-N 2 0 302.340 2.802 20 0 DFADRP c1cn(Cc2ccc(C[NH2+][C@@H]3CCC[C@@H]3[C@H]3CCC[NH2+]3)cc2)cn1 ZINC000415091669 428516116 /nfs/dbraw/zinc/51/61/16/428516116.db2.gz ZOOTZJMTIIDIDC-VAMGGRTRSA-N 2 0 324.472 2.942 20 0 DFADRP CC(C)C[C@H]([NH2+][C@H](C)c1ccc(F)cc1)C(=O)NCC[NH+](C)C ZINC000347259205 428517279 /nfs/dbraw/zinc/51/72/79/428517279.db2.gz YIERGCSGNNTZMB-PBHICJAKSA-N 2 0 323.456 2.569 20 0 DFADRP C[C@H]([NH2+]C[C@@H]1CC[NH2+][C@H](C)C1)c1nc(-c2cccc(F)c2)no1 ZINC000415094030 428518373 /nfs/dbraw/zinc/51/83/73/428518373.db2.gz DEHJXYZLGWMUSP-FRRDWIJNSA-N 2 0 318.396 2.914 20 0 DFADRP Cc1cc(C[N@@H+]2CCC[C@@H](n3cc(C[NH3+])nn3)C2)ccc1Cl ZINC000415100834 428518883 /nfs/dbraw/zinc/51/88/83/428518883.db2.gz AOAYLSUGSVMHMV-OAHLLOKOSA-N 2 0 319.840 2.536 20 0 DFADRP Cc1ccc(C)c(C[NH+]2CCN(C[C@@H]3CCCC[N@H+]3C)CC2)c1 ZINC000353390188 428518952 /nfs/dbraw/zinc/51/89/52/428518952.db2.gz YTJKGWZWPCAWSA-FQEVSTJZSA-N 2 0 315.505 2.905 20 0 DFADRP CCOCc1cc(C[N@@H+]2CC[C@H](C)[C@H](C[NH3+])C2)ccc1OC ZINC000415103267 428521992 /nfs/dbraw/zinc/52/19/92/428521992.db2.gz CZWYXWBZWXNTJC-WMLDXEAASA-N 2 0 306.450 2.648 20 0 DFADRP COc1cc(C[N@@H+]2CC[C@H](C)[C@@H](C[NH3+])C2)ccc1OC(C)C ZINC000415102001 428522102 /nfs/dbraw/zinc/52/21/02/428522102.db2.gz CANJJVSOIXCION-HOCLYGCPSA-N 2 0 306.450 2.899 20 0 DFADRP C[C@H]1C[C@@H](C[NH2+]Cc2cccc(NC(=O)C3CCC3)c2)CC[NH2+]1 ZINC000415104901 428522422 /nfs/dbraw/zinc/52/24/22/428522422.db2.gz LSUYXKUBMCYDQO-HOCLYGCPSA-N 2 0 315.461 2.903 20 0 DFADRP C[C@@]1(C[NH+]2CCC3(CC2)OCCc2ccccc23)CC[NH2+]C1 ZINC000415108803 428523948 /nfs/dbraw/zinc/52/39/48/428523948.db2.gz QMPUHKOXVJYJAE-GOSISDBHSA-N 2 0 300.446 2.550 20 0 DFADRP C[C@H](C[C@@H]1CCC[NH2+]1)[NH2+]CCc1nc(-c2ccccn2)cs1 ZINC000415109496 428524936 /nfs/dbraw/zinc/52/49/36/428524936.db2.gz PPSCDWLJSHUWLX-KGLIPLIRSA-N 2 0 316.474 2.868 20 0 DFADRP CC[NH+](CC)CCOC1CC[NH+](Cc2ccc(C)nc2)CC1 ZINC000360984451 428525161 /nfs/dbraw/zinc/52/51/61/428525161.db2.gz QKAWYXLHSGELLC-UHFFFAOYSA-N 2 0 305.466 2.713 20 0 DFADRP CCC(CC)[C@H](C[NH2+][C@H](C)C(C)(C)n1cncn1)[NH+]1CCCC1 ZINC000353411526 428525720 /nfs/dbraw/zinc/52/57/20/428525720.db2.gz KJSHTIGMYPVZCV-WBVHZDCISA-N 2 0 321.513 2.892 20 0 DFADRP c1cnn(Cc2ccccc2C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)c1 ZINC000415120370 428525742 /nfs/dbraw/zinc/52/57/42/428525742.db2.gz YANFOSULGIWDME-XUVXKRRUSA-N 2 0 324.472 2.942 20 0 DFADRP c1cnn(Cc2ccccc2C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)c1 ZINC000415120366 428525924 /nfs/dbraw/zinc/52/59/24/428525924.db2.gz YANFOSULGIWDME-SLFFLAALSA-N 2 0 324.472 2.942 20 0 DFADRP Cc1ccc(C[N@H+]2CC[C@@H](C)[C@@H](C[NH3+])C2)c(-c2ccnn2C)c1 ZINC000415133416 428532102 /nfs/dbraw/zinc/53/21/02/428532102.db2.gz VFLCKXGGIRCFSR-WBVHZDCISA-N 2 0 312.461 2.812 20 0 DFADRP [NH3+]Cc1cn([C@@H]2CCC[N@H+](Cc3ccc(C(F)F)cc3)C2)nn1 ZINC000415126914 428528764 /nfs/dbraw/zinc/52/87/64/428528764.db2.gz MNMPWYIEHYHMDO-OAHLLOKOSA-N 2 0 321.375 2.512 20 0 DFADRP C[C@H]1CCCC[N@@H+]1Cc1ccccc1CN[C@H]1CCC[NH2+]C1 ZINC000415123647 428529724 /nfs/dbraw/zinc/52/97/24/428529724.db2.gz PYXNMUBHQCEYQD-LPHOPBHVSA-N 2 0 301.478 2.903 20 0 DFADRP COc1ccc(C[NH+]2CCC([C@H]3C[C@H]([NH3+])CCO3)CC2)cc1C ZINC000415123555 428530353 /nfs/dbraw/zinc/53/03/53/428530353.db2.gz LFBPKFKRTDZZLM-IEBWSBKVSA-N 2 0 318.461 2.722 20 0 DFADRP COc1ccc(C[NH2+]C[C@@H]2CCCN2Cc2ccccc2)cn1 ZINC000390579629 428473364 /nfs/dbraw/zinc/47/33/64/428473364.db2.gz YKRRFGPXRNIAJC-SFHVURJKSA-N 2 0 311.429 2.844 20 0 DFADRP COCC1(C[NH2+]Cc2cc(Cl)ccc2F)CC[NH2+]CC1 ZINC000414973226 428477576 /nfs/dbraw/zinc/47/75/76/428477576.db2.gz KZDIXZKNKPFNKX-UHFFFAOYSA-N 2 0 300.805 2.585 20 0 DFADRP Cc1ncsc1CN(C)C[C@@H]1CC[N@H+](CCOC2CCC2)C1 ZINC000347167497 428478946 /nfs/dbraw/zinc/47/89/46/428478946.db2.gz UYDJLYXPRZIENX-HNNXBMFYSA-N 2 0 323.506 2.774 20 0 DFADRP CC(C)(C)C(=O)N1CCC([NH2+][C@H]2C[C@H]([NH3+])c3ccccc32)CC1 ZINC000391143353 428478890 /nfs/dbraw/zinc/47/88/90/428478890.db2.gz SKOWZNSHJUXJQN-IRXDYDNUSA-N 2 0 315.461 2.758 20 0 DFADRP CC[NH+]1CCN([C@@H](C)C[NH2+][C@@H](c2ccc(F)cn2)C(C)C)CC1 ZINC000353544031 428584609 /nfs/dbraw/zinc/58/46/09/428584609.db2.gz HUJAOJMKZFSJIF-MAUKXSAKSA-N 2 0 322.472 2.533 20 0 DFADRP CC[C@@H](C)[C@@H](C)[N@H+](CC(=O)NC1CC[NH+](C(C)C)CC1)C1CC1 ZINC000358197877 428585911 /nfs/dbraw/zinc/58/59/11/428585911.db2.gz ONAVALFEURKSSZ-HZPDHXFCSA-N 2 0 323.525 2.874 20 0 DFADRP CCN1C[C@@H](C)[C@@H]([NH2+]C2CCC([NH+]3CCC(C)CC3)CC2)C1 ZINC000358249903 428590126 /nfs/dbraw/zinc/59/01/26/428590126.db2.gz JTUNPYKPWQUWOP-UGXKVIGPSA-N 2 0 307.526 2.959 20 0 DFADRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H]2CCOC3(CCC3)C2)[C@H](C)C1 ZINC000358301920 428593175 /nfs/dbraw/zinc/59/31/75/428593175.db2.gz PRHGAQNSFBGQRA-KURKYZTESA-N 2 0 324.509 2.815 20 0 DFADRP CC[C@@H]1CCC[C@H](C[N@@H+]2CC3(CC[NH2+]CC3)[C@@H]3COC[C@@H]32)C1 ZINC000415136398 428534066 /nfs/dbraw/zinc/53/40/66/428534066.db2.gz HIGIRUIPYTXUKO-XDNAFOTISA-N 2 0 306.494 2.903 20 0 DFADRP C[C@H]1CC[C@@H]([NH2+]CC2(N)CC[NH+](Cc3ccccc3)CC2)C1 ZINC000415135787 428534102 /nfs/dbraw/zinc/53/41/02/428534102.db2.gz QPVBBCUFTFAGQR-FUHWJXTLSA-N 2 0 301.478 2.758 20 0 DFADRP Cc1cc(F)ccc1C[NH+]1CCC([C@H]2OCCC[C@H]2[NH3+])CC1 ZINC000415136545 428535399 /nfs/dbraw/zinc/53/53/99/428535399.db2.gz XFTUFBMDNGWDDQ-QZTJIDSGSA-N 2 0 306.425 2.852 20 0 DFADRP C[N@@H+]1CC[C@H](NC[C@H](c2ccco2)[NH+]2CCCC2)[C@H]2CCC[C@H]21 ZINC000353442206 428536355 /nfs/dbraw/zinc/53/63/55/428536355.db2.gz OVFKWKOIZVJVKP-XMTFNYHQSA-N 2 0 317.477 2.879 20 0 DFADRP CC(C)[C@H](C(=O)NC[C@@H](c1ccccc1)[NH+]1CCCC1)[C@@H](C)[NH3+] ZINC000399390331 428539182 /nfs/dbraw/zinc/53/91/82/428539182.db2.gz RZZSZPYBQUPREV-NJAFHUGGSA-N 2 0 317.477 2.559 20 0 DFADRP CCCC[N@H+](C)CC1CCN(C(=O)[C@@H](C(C)C)[C@H](C)[NH3+])CC1 ZINC000399492402 428540669 /nfs/dbraw/zinc/54/06/69/428540669.db2.gz AXJDBYNNBMUAEM-RDJZCZTQSA-N 2 0 311.514 2.576 20 0 DFADRP C[C@H]([NH2+]CCCC[NH+](C)C)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000400748227 428549549 /nfs/dbraw/zinc/54/95/49/428549549.db2.gz UWLXTCQJHLDEMW-GJZGRUSLSA-N 2 0 313.486 2.563 20 0 DFADRP Brc1csc(C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000400999664 428550784 /nfs/dbraw/zinc/55/07/84/428550784.db2.gz GGUQHBCLKIDRLW-JBLDHEPKSA-N 2 0 315.280 2.988 20 0 DFADRP CCC(C)(C)[NH2+][C@H](C)C(=O)N[C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000357718201 428557644 /nfs/dbraw/zinc/55/76/44/428557644.db2.gz WKBWTFXNBSPLNC-ARFHVFGLSA-N 2 0 323.525 2.922 20 0 DFADRP C[C@H]1CCC[N@H+](CCC(=O)Nc2ccccc2F)[C@H]1CC[NH3+] ZINC000404287488 428566123 /nfs/dbraw/zinc/56/61/23/428566123.db2.gz ITFIGQWOZKVERA-BBRMVZONSA-N 2 0 307.413 2.604 20 0 DFADRP C[C@@H]1C[NH+](CCCC[NH2+][C@@H]2CCC[C@H]2CCF)C[C@@H](C)O1 ZINC000353499997 428566377 /nfs/dbraw/zinc/56/63/77/428566377.db2.gz FDNAMLJGXDQHCV-WCXIOVBPSA-N 2 0 300.462 2.994 20 0 DFADRP C[C@@H]1CCC[N@H+](CCC(=O)Nc2cccc(F)c2)[C@H]1CC[NH3+] ZINC000404311288 428567174 /nfs/dbraw/zinc/56/71/74/428567174.db2.gz WPLXBCUCUYVLEB-CJNGLKHVSA-N 2 0 307.413 2.604 20 0 DFADRP COc1ccc(CC[NH2+][C@@H]2CC[N@H+](C)[C@H]3CCC[C@H]32)c(OC)c1 ZINC000353503810 428567864 /nfs/dbraw/zinc/56/78/64/428567864.db2.gz PXOPIIKYVGZRQA-KSZLIROESA-N 2 0 318.461 2.709 20 0 DFADRP C[C@@H]1C[C@@H](N(C)C(=O)[C@H]2CC[NH+](C3CCCCC3)C2)CC[N@@H+]1C ZINC000361494979 428572762 /nfs/dbraw/zinc/57/27/62/428572762.db2.gz BBEJFIAZDSNKBA-RYRKJORJSA-N 2 0 321.509 2.582 20 0 DFADRP CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)[C@H]2CC[NH2+][C@@H]2C(C)C)C1 ZINC000353526709 428577697 /nfs/dbraw/zinc/57/76/97/428577697.db2.gz RZYLJACTGVPNTB-IXDOHACOSA-N 2 0 323.525 2.637 20 0 DFADRP C[NH+](C)CCOC1CC[NH+](C/C=C/c2ccc(F)cc2)CC1 ZINC000353523978 428578126 /nfs/dbraw/zinc/57/81/26/428578126.db2.gz YWVVZWJBJRFCRC-ONEGZZNKSA-N 2 0 306.425 2.882 20 0 DFADRP COc1ccccc1O[C@H](C)C[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@H]21 ZINC000353530479 428579983 /nfs/dbraw/zinc/57/99/83/428579983.db2.gz SRBUXTNPPDOTMP-YYIAUSFCSA-N 2 0 318.461 2.925 20 0 DFADRP C[C@@H]1C[C@@H]1c1ccc(C[NH+]2CCC(OCC[NH+](C)C)CC2)o1 ZINC000353564524 428597580 /nfs/dbraw/zinc/59/75/80/428597580.db2.gz CSAQEACUONPNGE-PBHICJAKSA-N 2 0 306.450 2.946 20 0 DFADRP Cc1nnc(CC[NH2+]C2CC[NH+](C3CCCCC3)CC2)s1 ZINC000353567394 428597615 /nfs/dbraw/zinc/59/76/15/428597615.db2.gz NWGMPQLJLISHJT-UHFFFAOYSA-N 2 0 308.495 2.776 20 0 DFADRP Cc1cc2c(cc1C)[C@H]([NH2+]CC1(O)CC[NH+](C)CC1)CCCO2 ZINC000361881829 428602610 /nfs/dbraw/zinc/60/26/10/428602610.db2.gz WYYKWTSJSHSLJQ-QGZVFWFLSA-N 2 0 318.461 2.563 20 0 DFADRP CC(C)[C@H](C(=O)N[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1)[NH+](C)C ZINC000358569648 428607500 /nfs/dbraw/zinc/60/75/00/428607500.db2.gz WRSPUWDKGQDEFJ-KBAYOESNSA-N 2 0 317.477 2.524 20 0 DFADRP O[C@H](C[NH2+][C@@H](CC1CCC1)c1ccccc1)C[NH+]1CCCC1 ZINC000344020988 428609479 /nfs/dbraw/zinc/60/94/79/428609479.db2.gz NATWYJGHEJCVHP-MOPGFXCFSA-N 2 0 302.462 2.964 20 0 DFADRP C[NH+](C)CC1(C(=O)N2CCC[C@H]([NH+]3CCCC3)C2)CCCCC1 ZINC000358622182 428611957 /nfs/dbraw/zinc/61/19/57/428611957.db2.gz AHOSLMQHQOZZBO-KRWDZBQOSA-N 2 0 321.509 2.585 20 0 DFADRP CCC[N@H+](CC)C[C@H](C)NC(=O)Nc1ccc2c(c1)C[NH2+]CC2 ZINC000415889704 428616374 /nfs/dbraw/zinc/61/63/74/428616374.db2.gz CFEWGOYYLBDBTG-AWEZNQCLSA-N 2 0 318.465 2.574 20 0 DFADRP C[C@@H]1CCC[C@H]([NH2+]Cc2ccncc2OCC[NH+](C)C)[C@@H]1C ZINC000344042255 428616585 /nfs/dbraw/zinc/61/65/85/428616585.db2.gz JVVITUHFQGBCSA-INMHGKMJSA-N 2 0 305.466 2.936 20 0 DFADRP C[C@@H](c1cc(F)ccc1F)[N@H+](C)CCCN(C)CC[NH+](C)C ZINC000344039128 428616855 /nfs/dbraw/zinc/61/68/55/428616855.db2.gz TYBIQJDLNSDUIQ-AWEZNQCLSA-N 2 0 313.436 2.841 20 0 DFADRP CC[N@@H+]1CC[C@H](N(C)C(=O)Nc2cccc(C[NH2+]C)c2)C[C@@H]1C ZINC000415948856 428634487 /nfs/dbraw/zinc/63/44/87/428634487.db2.gz YVDNOLWHOFVCCQ-YOEHRIQHSA-N 2 0 318.465 2.743 20 0 DFADRP CCCN(CCC[NH+](C)C)C(=O)Nc1ccc2c(c1)C[NH2+]CC2 ZINC000415905350 428622002 /nfs/dbraw/zinc/62/20/02/428622002.db2.gz ZQRACMFRFREZPV-UHFFFAOYSA-N 2 0 318.465 2.528 20 0 DFADRP CCO[C@@H]1C[C@@H]([NH2+][C@@H]2CCc3nc[nH]c3C2)C12CCCCC2 ZINC000353615666 428621998 /nfs/dbraw/zinc/62/19/98/428621998.db2.gz ZFQZBQZSKGKKAA-KBRIMQKVSA-N 2 0 303.450 2.985 20 0 DFADRP C[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+][C@@H]2CCc3nc[nH]c3C2)CC1 ZINC000353614483 428623259 /nfs/dbraw/zinc/62/32/59/428623259.db2.gz XLXUPGOFNAIDFU-OGWOLHLISA-N 2 0 316.493 2.900 20 0 DFADRP COC[C@@H](Cc1ccccc1)[NH2+]CC1(SC)CC[NH+](C)CC1 ZINC000353623262 428627544 /nfs/dbraw/zinc/62/75/44/428627544.db2.gz BAVDFWMSPLRSCD-QGZVFWFLSA-N 2 0 322.518 2.661 20 0 DFADRP CC[C@H](C)[N@H+](C)CCNC1CC[NH+](CCC(F)(F)F)CC1 ZINC000358691540 428629134 /nfs/dbraw/zinc/62/91/34/428629134.db2.gz XONSWAXSWIBTFR-ZDUSSCGKSA-N 2 0 309.420 2.723 20 0 DFADRP C[NH2+]Cc1cccc(NC(=O)NCC(C)(C)[NH+]2CCCCC2)c1 ZINC000415937407 428631217 /nfs/dbraw/zinc/63/12/17/428631217.db2.gz XDVRLAWBOZWMAJ-UHFFFAOYSA-N 2 0 318.465 2.792 20 0 DFADRP CC[NH2+]Cc1cccc(NC(=O)NCC[N@@H+]2CCCC[C@H]2C)c1 ZINC000415939204 428632954 /nfs/dbraw/zinc/63/29/54/428632954.db2.gz YWIOQRPVYUILFA-OAHLLOKOSA-N 2 0 318.465 2.792 20 0 DFADRP C[NH2+]Cc1cccc(NC(=O)NC[C@@H]2CC[N@H+](CC(C)C)C2)c1 ZINC000415939555 428633140 /nfs/dbraw/zinc/63/31/40/428633140.db2.gz CJTSNSUJNBAHRY-INIZCTEOSA-N 2 0 318.465 2.505 20 0 DFADRP Cc1ncc(C[N@@H+]2CC[C@@H](Nc3cc[nH+]cc3C)[C@@H](C)C2)s1 ZINC000373517501 428596139 /nfs/dbraw/zinc/59/61/39/428596139.db2.gz DALYNJZZLYKKDR-SUMWQHHRSA-N 2 0 316.474 2.899 20 0 DFADRP COCCC[NH+]1CCC([NH2+][C@@H]2CCCC[C@H]2[C@@H]2CCOC2)CC1 ZINC000373702281 428637539 /nfs/dbraw/zinc/63/75/39/428637539.db2.gz XFRNIECVQQIGGX-NZSAHSFTSA-N 2 0 324.509 2.672 20 0 DFADRP CC[C@H]1CCCC[N@@H+]1CCNC(=O)Nc1ccc(C[NH3+])cc1 ZINC000415972673 428638595 /nfs/dbraw/zinc/63/85/95/428638595.db2.gz ILZWFQVBTFGGKH-INIZCTEOSA-N 2 0 304.438 2.531 20 0 DFADRP CCC[N@H+](C)C[C@H]1CCN(C(=O)Nc2ccc(C[NH2+]C)cc2)C1 ZINC000415976534 428639927 /nfs/dbraw/zinc/63/99/27/428639927.db2.gz VWSQUDSCSGZRKE-MRXNPFEDSA-N 2 0 318.465 2.602 20 0 DFADRP C[NH2+]Cc1cccc(NC(=O)NC[C@@H]2[N@H+](C)CCCC2(C)C)c1 ZINC000415958644 428635924 /nfs/dbraw/zinc/63/59/24/428635924.db2.gz LXSDDJVIUCBZAL-INIZCTEOSA-N 2 0 318.465 2.648 20 0 DFADRP [NH3+]Cc1ccc(NC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000415958980 428636265 /nfs/dbraw/zinc/63/62/65/428636265.db2.gz OPIQVNXYCKFDBU-SFHVURJKSA-N 2 0 324.428 2.541 20 0 DFADRP CC[C@H](C)[C@H]([NH3+])C(=O)NC[C@@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000353659690 428645276 /nfs/dbraw/zinc/64/52/76/428645276.db2.gz AQYCRVUCXZJIBU-DARAHFNDSA-N 2 0 323.506 2.621 20 0 DFADRP CC(C)C[C@H]([NH3+])C(=O)NC[C@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000353664723 428647161 /nfs/dbraw/zinc/64/71/61/428647161.db2.gz QGBYLHUSZCRYPE-IJEWVQPXSA-N 2 0 323.506 2.621 20 0 DFADRP O=C(NCCC[NH+]1CCCCCC1)Nc1ccc2c(c1)C[NH2+]C2 ZINC000416015855 428648692 /nfs/dbraw/zinc/64/86/92/428648692.db2.gz UNQVWNXCBLYBMI-UHFFFAOYSA-N 2 0 316.449 2.677 20 0 DFADRP CSC1(C[N@H+](C)C2CC[NH+](C3CCOCC3)CC2)CCC1 ZINC000365616969 274174448 /nfs/dbraw/zinc/17/44/48/274174448.db2.gz MCWHGAHDEFVUNV-UHFFFAOYSA-N 2 0 312.523 2.847 20 0 DFADRP CC[N@H+](CCC1CC[NH+](CC(=O)N(C)C2CC2)CC1)CC(C)C ZINC000358739990 428651866 /nfs/dbraw/zinc/65/18/66/428651866.db2.gz VJGSUHQIYAVDBG-UHFFFAOYSA-N 2 0 323.525 2.687 20 0 DFADRP C[C@@H](CN1CC[NH+](C)CC1)[NH2+]C1c2ccccc2-c2ccccc21 ZINC000183802272 274218748 /nfs/dbraw/zinc/21/87/48/274218748.db2.gz OSDFPDJLLUDCKJ-INIZCTEOSA-N 2 0 321.468 2.982 20 0 DFADRP C(N[C@@H]1CC[N@@H+]2CCC[C@H]2C1)[C@H]1CCC[NH+]1C1CCCCC1 ZINC000373904152 428653954 /nfs/dbraw/zinc/65/39/54/428653954.db2.gz NNGQFUGPOITXJC-NZSAHSFTSA-N 2 0 305.510 3.000 20 0 DFADRP c1ccc([C@@H]2C[C@@H]2C[NH2+]C2CC[NH+](C[C@@H]3CCOC3)CC2)cc1 ZINC000348234342 428667555 /nfs/dbraw/zinc/66/75/55/428667555.db2.gz AAJWDBUKHONKOE-HQRMLTQVSA-N 2 0 314.473 2.881 20 0 DFADRP c1ccc([C@@H]2C[C@H]2C[NH2+]C2CC[NH+](C[C@H]3CCOC3)CC2)cc1 ZINC000348234345 428668465 /nfs/dbraw/zinc/66/84/65/428668465.db2.gz AAJWDBUKHONKOE-KPFFTGBYSA-N 2 0 314.473 2.881 20 0 DFADRP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]Cc1cc(N(C)C)nc2ccccc12 ZINC000361806474 274336036 /nfs/dbraw/zinc/33/60/36/274336036.db2.gz IROBPROVBZZVTM-RHSMWYFYSA-N 2 0 312.461 2.731 20 0 DFADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]C1CCN(c2ccccc2)CC1 ZINC000132758753 274339900 /nfs/dbraw/zinc/33/99/00/274339900.db2.gz VKSMLXDIROHMOO-MDZRGWNJSA-N 2 0 301.478 2.974 20 0 DFADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+][C@@H]1CCN(c2ncccc2Cl)C1 ZINC000119964443 274340553 /nfs/dbraw/zinc/34/05/53/274340553.db2.gz PXNDSVJQSVFXCS-IXYNUQLISA-N 2 0 322.884 2.632 20 0 DFADRP CO[C@]1(C)CCC[NH+](CC(C)C[N@H+]2CCC[C@@](C)(OC)C2)C1 ZINC000348230554 428669576 /nfs/dbraw/zinc/66/95/76/428669576.db2.gz HAOZMGHXOLHDOJ-QZTJIDSGSA-N 2 0 312.498 2.624 20 0 DFADRP Clc1ccc(CC[N@@H+]2CC[C@H](CN3CCOCC3)C2)cc1 ZINC000362305069 428696675 /nfs/dbraw/zinc/69/66/75/428696675.db2.gz KRHPPNXHFZWMGJ-INIZCTEOSA-N 2 0 308.853 2.537 20 0 DFADRP CCC[N@@H+]1CCC[C@H]1CNC(=O)C[C@@H](c1ccccc1)[NH+](C)C ZINC000416246205 428698415 /nfs/dbraw/zinc/69/84/15/428698415.db2.gz UPASCJITMSBOCR-ROUUACIJSA-N 2 0 317.477 2.670 20 0 DFADRP C[C@@H](CCc1ccc(Cl)s1)[NH2+]CC1(O)CC[NH+](C)CC1 ZINC000344746340 428700545 /nfs/dbraw/zinc/70/05/45/428700545.db2.gz MJYPTZOBEIZAHG-LBPRGKRZSA-N 2 0 316.898 2.769 20 0 DFADRP CCc1cccc(Cl)c1C[NH2+]CCCN1CC[NH+](C)CC1 ZINC000353765081 428703056 /nfs/dbraw/zinc/70/30/56/428703056.db2.gz ZZDZSHDFYOXWBW-UHFFFAOYSA-N 2 0 309.885 2.630 20 0 DFADRP CCn1cc(CC[NH2+][C@H]2CCCC[C@H]2C[NH+](CC)CC)cn1 ZINC000348359997 428717544 /nfs/dbraw/zinc/71/75/44/428717544.db2.gz BKYFQQRDTBJNIJ-ROUUACIJSA-N 2 0 306.498 2.936 20 0 DFADRP OC[C@H](C[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccccc1Cl ZINC000348374810 428724078 /nfs/dbraw/zinc/72/40/78/428724078.db2.gz ACQFYUFBGSHKMM-SOUVJXGZSA-N 2 0 308.853 2.632 20 0 DFADRP C[NH+]1CCC(N2CC[C@@H]([NH2+]C(C3CCC3)C3CCC3)C2)CC1 ZINC000374701531 428734322 /nfs/dbraw/zinc/73/43/22/428734322.db2.gz LULLXZYEYNBPKN-QGZVFWFLSA-N 2 0 305.510 2.713 20 0 DFADRP CO[C@@H]1CCC[NH+](CCCC[N@H+]2CCC[C@H](OC)CC2)CC1 ZINC000374677052 428727407 /nfs/dbraw/zinc/72/74/07/428727407.db2.gz IMEOGZDRIYXUNE-HDICACEKSA-N 2 0 312.498 2.768 20 0 DFADRP CC[C@@H](C(=O)NC[C@H](C1CCCCC1)[NH+](C)C)[NH+](CC)CC ZINC000344648562 428689207 /nfs/dbraw/zinc/68/92/07/428689207.db2.gz DGJSZNMGKXTANU-DLBZAZTESA-N 2 0 311.514 2.734 20 0 DFADRP COC(=O)[C@H]1CC[N@H+](Cc2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC000411177549 428754023 /nfs/dbraw/zinc/75/40/23/428754023.db2.gz HOVWZUCBKMEBCD-SFHVURJKSA-N 2 0 316.445 2.667 20 0 DFADRP C[C@@H](C(=O)N[C@H](C[NH+](C)C)c1ccccc1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000411185934 428754569 /nfs/dbraw/zinc/75/45/69/428754569.db2.gz OLBBKNCWSYEFGF-UIBIWLFHSA-N 2 0 317.477 2.667 20 0 DFADRP c1cc(CN2CC[NH+](C3CC3)CC2)cc(C[NH+]2CCCCC2)c1 ZINC000411195405 428755785 /nfs/dbraw/zinc/75/57/85/428755785.db2.gz IJXUNYGYXPBPBW-UHFFFAOYSA-N 2 0 313.489 2.953 20 0 DFADRP c1cc(C[NH+]2CCCCC2)ccc1CN1CC[NH+](C2CC2)CC1 ZINC000411202582 428760141 /nfs/dbraw/zinc/76/01/41/428760141.db2.gz VMVSGGJGAILVNE-UHFFFAOYSA-N 2 0 313.489 2.953 20 0 DFADRP CCCOC(=O)[C@@H](C)[N@H+](C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000374842193 428762766 /nfs/dbraw/zinc/76/27/66/428762766.db2.gz SGJZSEYEPVESMJ-OAHLLOKOSA-N 2 0 319.449 2.572 20 0 DFADRP CCCNC(=O)CCC[N@@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000411231596 428763895 /nfs/dbraw/zinc/76/38/95/428763895.db2.gz YIVBXRYSNJGXQR-SFHVURJKSA-N 2 0 323.525 2.881 20 0 DFADRP c1cc(CN2CC[N@@H+]3CCC[C@H]3C2)cc(C[NH+]2CCCCC2)c1 ZINC000411253911 428767492 /nfs/dbraw/zinc/76/74/92/428767492.db2.gz HHATZUWPJCNCMT-FQEVSTJZSA-N 2 0 313.489 2.953 20 0 DFADRP C[C@H](C[NH2+][C@H]1CCc2cc(Cl)ccc21)N1CC[NH+](C)CC1 ZINC000127745225 274492194 /nfs/dbraw/zinc/49/21/94/274492194.db2.gz WKOAJGOANJARQA-DYVFJYSZSA-N 2 0 307.869 2.553 20 0 DFADRP CC[N@@H+]1CC[C@@H]([NH2+]CCc2ccc(OC)cc2OC)[C@H](C)C1 ZINC000345146528 428773498 /nfs/dbraw/zinc/77/34/98/428773498.db2.gz BDSZDYLCEDOTPA-RHSMWYFYSA-N 2 0 306.450 2.566 20 0 DFADRP CC(C)[C@@H](C[NH2+][C@@H](C)C1C(C)(C)C1(C)C)N1CC[NH+](C)CC1 ZINC000353946826 428789160 /nfs/dbraw/zinc/78/91/60/428789160.db2.gz VTNODXGODUNCFY-JKSUJKDBSA-N 2 0 309.542 2.919 20 0 DFADRP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1[NH2+]C[C@@H](O)CC(F)(F)F ZINC000348412117 428735894 /nfs/dbraw/zinc/73/58/94/428735894.db2.gz ZPYYHNNXYXHUPW-IHRRRGAJSA-N 2 0 310.404 2.790 20 0 DFADRP C[C@@H]([NH2+]CCC1CC(O)C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000348417458 428738623 /nfs/dbraw/zinc/73/86/23/428738623.db2.gz UNHDCQZJXOOJBQ-ZTRSQXPZSA-N 2 0 302.462 2.648 20 0 DFADRP CC(C)[C@](C)([NH2+]Cc1cccc(C[NH+]2CCCCC2)c1)C(N)=O ZINC000411726099 428847170 /nfs/dbraw/zinc/84/71/70/428847170.db2.gz JJVZBTACESBYOC-IBGZPJMESA-N 2 0 317.477 2.662 20 0 DFADRP CC(C)C[C@@H](C[NH+](C)C)NC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC000362624089 428794482 /nfs/dbraw/zinc/79/44/82/428794482.db2.gz QXUIGHBQFVFYSC-WMZOPIPTSA-N 2 0 323.525 2.876 20 0 DFADRP C[C@@H]1CC[N@H+](Cc2cccc(C[NH+]3CCCCC3)c2)C[C@H]1O ZINC000411438920 428797328 /nfs/dbraw/zinc/79/73/28/428797328.db2.gz CYNYWVRFNRZODA-VQIMIIECSA-N 2 0 302.462 2.875 20 0 DFADRP CCCC[C@H]1CCC[C@@H]1[NH2+]CC(=O)NC1CC[NH+](CC)CC1 ZINC000411522186 428810362 /nfs/dbraw/zinc/81/03/62/428810362.db2.gz VRWYCAOGRMZWHO-RDJZCZTQSA-N 2 0 309.498 2.535 20 0 DFADRP FC(F)(F)CCN1CCC([NH2+]C2CCN(C3CC3)CC2)CC1 ZINC000359101709 428816052 /nfs/dbraw/zinc/81/60/52/428816052.db2.gz DKNNZQLTKHZRLS-UHFFFAOYSA-N 2 0 319.415 2.620 20 0 DFADRP CC[NH+](CC)[C@H](C)CNC1CC[NH+](CCC(F)(F)F)CC1 ZINC000359115235 428821930 /nfs/dbraw/zinc/82/19/30/428821930.db2.gz MBXVUTZWVKRMKV-CYBMUJFWSA-N 2 0 309.420 2.723 20 0 DFADRP Cc1csc(N2CCC([NH2+][C@@H]3CC[N@@H+]4CCC[C@H]4C3)CC2)n1 ZINC000359116740 428824315 /nfs/dbraw/zinc/82/43/15/428824315.db2.gz QUWUUNZJOWZZEN-CVEARBPZSA-N 2 0 320.506 2.637 20 0 DFADRP CC[NH+](CC)[C@@H](C(=O)N1[C@@H]2CC[C@H]1C[C@@H]([NH3+])C2)c1ccccc1 ZINC000375251652 428832585 /nfs/dbraw/zinc/83/25/85/428832585.db2.gz AHQPUYHSBFTSHO-XMTFNYHQSA-N 2 0 315.461 2.550 20 0 DFADRP CC1(C)C[N@H+](Cc2cccc(C[NH+]3CCCCC3)c2)C[C@H]1O ZINC000411660871 428837162 /nfs/dbraw/zinc/83/71/62/428837162.db2.gz BANMIQZYHNOZER-GOSISDBHSA-N 2 0 302.462 2.875 20 0 DFADRP Cc1cccc(C)c1NC(=O)C[N@H+](C)CCC1CC[NH2+]CC1 ZINC000359191063 428859445 /nfs/dbraw/zinc/85/94/45/428859445.db2.gz OKJUDEOGRNKZOQ-UHFFFAOYSA-N 2 0 303.450 2.563 20 0 DFADRP Cc1cc(N2CCC([N@H+](C)C[Si](C)(C)C)CC2)nc(C)n1 ZINC000363135430 428866793 /nfs/dbraw/zinc/86/67/93/428866793.db2.gz UPIMSRFNMFHGFV-UHFFFAOYSA-N 2 0 306.530 2.871 20 0 DFADRP COc1ccc(C[N@H+](C)C2CC[NH+](C3CCOCC3)CC2)cc1 ZINC000363202620 428882101 /nfs/dbraw/zinc/88/21/01/428882101.db2.gz VEFZMFDXLORUAI-UHFFFAOYSA-N 2 0 318.461 2.770 20 0 DFADRP Cc1cccc(NC2CC[NH+](Cc3ccc(C(N)=O)cc3)CC2)n1 ZINC000363229854 428887093 /nfs/dbraw/zinc/88/70/93/428887093.db2.gz JADNKQNCRMZCIC-UHFFFAOYSA-N 2 0 324.428 2.565 20 0 DFADRP CC(C)[C@H](C(=O)Nc1cccc2c1OCC[C@H]2[NH+](C)C)[NH+](C)C ZINC000345501109 428911524 /nfs/dbraw/zinc/91/15/24/428911524.db2.gz FAZGSBGEHPYILK-HZPDHXFCSA-N 2 0 319.449 2.597 20 0 DFADRP COC(=O)C[C@@H]1CC[C@H]([NH2+]CC2(N(C)C)CCCCC2)[C@H]1C ZINC000354164140 428894887 /nfs/dbraw/zinc/89/48/87/428894887.db2.gz OHFWLZWPRIOGDQ-JYJNAYRXSA-N 2 0 310.482 2.818 20 0 DFADRP O[C@@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)C1CC1 ZINC000349002765 428898024 /nfs/dbraw/zinc/89/80/24/428898024.db2.gz IZULGGRIGLVTJI-IPQPSQTFSA-N 2 0 300.446 2.543 20 0 DFADRP CC[NH+]1CCN([C@@H](C)C[NH2+][C@H](c2ccc(F)cc2)C2CC2)CC1 ZINC000359278924 428900804 /nfs/dbraw/zinc/90/08/04/428900804.db2.gz UXNXAOODZCJKNF-KXBFYZLASA-N 2 0 319.468 2.892 20 0 DFADRP CN(CC[N@H+](C)C[C@H]1C[C@H]1c1ccccc1)C1CC[NH+](C)CC1 ZINC000349034678 428905002 /nfs/dbraw/zinc/90/50/02/428905002.db2.gz FCOHKGKIJWVMFQ-QUCCMNQESA-N 2 0 315.505 2.748 20 0 DFADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H](CC(C)C)[NH+](CC)CC ZINC000349091624 428918733 /nfs/dbraw/zinc/91/87/33/428918733.db2.gz YSIVRRPROGTXKJ-IAGOWNOFSA-N 2 0 311.514 2.734 20 0 DFADRP Cc1nn(C)c(Cl)c1C[N@@H+]1CC[C@H](C2CC[NH+](C)CC2)C1 ZINC000363459774 428920637 /nfs/dbraw/zinc/92/06/37/428920637.db2.gz RNRZKOALYZMGJR-AWEZNQCLSA-N 2 0 310.873 2.546 20 0 DFADRP CCC[N@@H+]1CCC[C@H]1C(=O)N1CC[NH+](CC2CCCCC2)CC1 ZINC000349141978 428927641 /nfs/dbraw/zinc/92/76/41/428927641.db2.gz GOWOAJRCGJYMRA-SFHVURJKSA-N 2 0 321.509 2.585 20 0 DFADRP C[NH+]1CCC([C@H]2CC[N@H+](Cc3ccc([S@](C)=O)cc3)C2)CC1 ZINC000349178786 428933943 /nfs/dbraw/zinc/93/39/43/428933943.db2.gz BNWPZPDBLMWPMI-JTSKRJEESA-N 2 0 320.502 2.588 20 0 DFADRP CC1(C)[C@@H]([NH2+]C[C@@H]2CC[N@H+](Cc3ccccc3)C2)[C@@H]2CCO[C@@H]21 ZINC000375661060 428935056 /nfs/dbraw/zinc/93/50/56/428935056.db2.gz BBKUNBMCHOLJCA-VJANTYMQSA-N 2 0 314.473 2.912 20 0 DFADRP C[C@@H]1C[N@H+](CC[C@@H]2CCCC[NH+]2C)C[C@H]1C(=O)OC(C)(C)C ZINC000412068864 428939359 /nfs/dbraw/zinc/93/93/59/428939359.db2.gz GGGAPUNVUHHACC-OWCLPIDISA-N 2 0 310.482 2.770 20 0 DFADRP CC(C)COCCC[NH2+][C@@H]1CC[N@H+](C[C@H]2CCCO2)C[C@@H]1C ZINC000363567348 428944606 /nfs/dbraw/zinc/94/46/06/428944606.db2.gz YSISQPZJADWCQE-RCCFBDPRSA-N 2 0 312.498 2.528 20 0 DFADRP C[N@@H+]1CCCC[C@H]1CCC(=O)N[C@@H]1CC[NH+](CC2CCCC2)C1 ZINC000354273314 428948835 /nfs/dbraw/zinc/94/88/35/428948835.db2.gz KZVWYBXFWNHOQI-MSOLQXFVSA-N 2 0 321.509 2.632 20 0 DFADRP Cc1cc([C@H]([NH2+][C@H](C)CN2CC[NH+](C)CC2)C2CC2)ccc1F ZINC000359396991 428953988 /nfs/dbraw/zinc/95/39/88/428953988.db2.gz XKLYFOGQTDVKOY-DNVCBOLYSA-N 2 0 319.468 2.811 20 0 DFADRP Cc1cc(NC2CCC([NH+](C)C)CC2)nc(-c2cccnc2)n1 ZINC000420623161 428960367 /nfs/dbraw/zinc/96/03/67/428960367.db2.gz HNUTXHUSIJYNIU-UHFFFAOYSA-N 2 0 311.433 3.132 20 0 DFADRP Cc1ccsc1C[N@@H+]1CCN(C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000349325221 428961998 /nfs/dbraw/zinc/96/19/98/428961998.db2.gz CMLKGTWGZIXZHV-HNNXBMFYSA-N 2 0 307.507 2.657 20 0 DFADRP C[C@H]([NH2+]CCC1=CC[NH2+]CC1)c1cnn(Cc2ccccc2)c1 ZINC000423535824 428967951 /nfs/dbraw/zinc/96/79/51/428967951.db2.gz FMEKHNYJWLSPHU-INIZCTEOSA-N 2 0 310.445 2.892 20 0 DFADRP C[C@H](c1ccccc1)N1CC[C@H]([NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)C1 ZINC000423545106 428968302 /nfs/dbraw/zinc/96/83/02/428968302.db2.gz OTUHQBVCWHJGPO-JUSBFGHESA-N 2 0 313.489 2.800 20 0 DFADRP COc1ccc(C[C@H](C)[NH2+]CCC2=CC[NH2+]CC2)c(C)c1OC ZINC000423546946 428968558 /nfs/dbraw/zinc/96/85/58/428968558.db2.gz ZOXJIMUBJMRWQM-AWEZNQCLSA-N 2 0 318.461 2.843 20 0 DFADRP COc1cc2c(cc1OC)[C@H]([NH2+][C@@H]1CC[C@H]3C[NH2+]C[C@@H]3C1)CC2 ZINC000423538139 428969230 /nfs/dbraw/zinc/96/92/30/428969230.db2.gz FPDVMPFBMAMJPT-LJIGWXMPSA-N 2 0 316.445 2.669 20 0 DFADRP c1ccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@@H](N[C@H]2CCCC[NH2+]C2)C3)cc1 ZINC000423556137 428970408 /nfs/dbraw/zinc/97/04/08/428970408.db2.gz MMZHBQPDIQMRMM-HAGHYFMRSA-N 3 0 313.489 2.914 20 0 DFADRP CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)CC1(C[NH3+])CCCCC1 ZINC000423801119 429025239 /nfs/dbraw/zinc/02/52/39/429025239.db2.gz MRGFYDMTZSZFAZ-MRXNPFEDSA-N 2 0 309.498 2.522 20 0 DFADRP CC[NH+](CC)[C@H]1CCN(C(=O)C[C@H](c2ccccc2)[NH+](C)C)C1 ZINC000433372202 429028254 /nfs/dbraw/zinc/02/82/54/429028254.db2.gz DGIJRDCFPDFGQE-ZWKOTPCHSA-N 2 0 317.477 2.622 20 0 DFADRP C[C@H](C(=O)Nc1cccc2c1C[NH2+]CC2)[C@H]([NH3+])c1ccccc1 ZINC000375964093 429028939 /nfs/dbraw/zinc/02/89/39/429028939.db2.gz MNUGPDVETLFRLH-UGSOOPFHSA-N 2 0 309.413 2.607 20 0 DFADRP CCC[C@@H]([NH2+]C(C)C)C(=O)NC[C@H]1CCCC[N@@H+]1CC(C)C ZINC000355113226 429031019 /nfs/dbraw/zinc/03/10/19/429031019.db2.gz FISVDOLCEUGDEL-IAGOWNOFSA-N 2 0 311.514 2.780 20 0 DFADRP Cc1cc(F)ccc1[C@H]1CCCN1C[C@H](O)C[N@@H+](C)C1CC1 ZINC000451987076 429033395 /nfs/dbraw/zinc/03/33/95/429033395.db2.gz JGNGFUVMVTWKHQ-SJLPKXTDSA-N 2 0 306.425 2.726 20 0 DFADRP C[C@@H]1C[C@H]([N@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)CCO1 ZINC000420958686 428973094 /nfs/dbraw/zinc/97/30/94/428973094.db2.gz FCJBTYHYAULWSD-OQIJWPOYSA-N 2 0 300.446 2.618 20 0 DFADRP CC[C@@H]1CC[C@@H]1[NH2+]CC1(N)CC[NH+](Cc2ccccc2)CC1 ZINC000423570139 428974694 /nfs/dbraw/zinc/97/46/94/428974694.db2.gz NEWIQIFUYUNJOE-MSOLQXFVSA-N 2 0 301.478 2.758 20 0 DFADRP C[C@@H]([NH2+]CC1(N)CC[NH+](Cc2ccccc2)CC1)c1ccncc1 ZINC000423579437 428976208 /nfs/dbraw/zinc/97/62/08/428976208.db2.gz WFJZPJMJVCCJEB-QGZVFWFLSA-N 2 0 324.472 2.726 20 0 DFADRP CCN(CCC[NH+](C)C)Cc1cnc(-c2ccccn2)s1 ZINC000349405431 428980980 /nfs/dbraw/zinc/98/09/80/428980980.db2.gz IITJZABLVXQRHE-UHFFFAOYSA-N 2 0 304.463 2.979 20 0 DFADRP Cc1ccc([C@H]([NH2+]C[C@@H](C)CN2CC[NH+](C)CC2)C2CCC2)o1 ZINC000349448754 428988796 /nfs/dbraw/zinc/98/87/96/428988796.db2.gz FEGBXQQFMQGMBL-DNVCBOLYSA-N 2 0 319.493 2.902 20 0 DFADRP COC(=O)C[C@@H]1CC[C@H]([NH2+]C2CCC(C[NH+](C)C)CC2)[C@H]1C ZINC000354487144 428990133 /nfs/dbraw/zinc/99/01/33/428990133.db2.gz ZBSPPNUMXCXAOJ-OQBQERNKSA-N 2 0 310.482 2.674 20 0 DFADRP CC[C@@H](C)[NH+]1CCN(CC[N@H+](C)Cc2ccc(F)cc2)CC1 ZINC000451831853 428990719 /nfs/dbraw/zinc/99/07/19/428990719.db2.gz BIDVLSNYOATONP-MRXNPFEDSA-N 2 0 307.457 2.674 20 0 DFADRP CON1CCC([NH2+]CC(C)(C)C[N@H+](C)Cc2ccccc2)CC1 ZINC000421398219 428992970 /nfs/dbraw/zinc/99/29/70/428992970.db2.gz NUSKOVAUTWBLEW-UHFFFAOYSA-N 2 0 319.493 2.760 20 0 DFADRP CCOC(=O)C1(C)CCC([NH2+][C@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC000354513304 428993186 /nfs/dbraw/zinc/99/31/86/428993186.db2.gz PNYXLKREVNTQDE-LPMVOBIJSA-N 2 0 310.482 2.961 20 0 DFADRP C[C@@H](CN1CC[NH+](C)CC1)[NH2+][C@@H]1CCCc2c(Cl)cccc21 ZINC000349492920 428995571 /nfs/dbraw/zinc/99/55/71/428995571.db2.gz HDUGBIFLBKHFBB-KBXCAEBGSA-N 2 0 321.896 2.943 20 0 DFADRP Cc1ccc(Cl)c(NC(=O)CCC[NH+]2CCC([NH3+])CC2)c1 ZINC000433138684 428998975 /nfs/dbraw/zinc/99/89/75/428998975.db2.gz ZABQUMAVTALSPK-UHFFFAOYSA-N 2 0 309.841 2.790 20 0 DFADRP Cc1ccnc(NC[C@@H]2CC[NH+](CC[C@H]3CCCC[N@H+]3C)C2)c1 ZINC000375868827 429001055 /nfs/dbraw/zinc/00/10/55/429001055.db2.gz HAIWKCDTHTUCSA-ZWKOTPCHSA-N 2 0 316.493 2.998 20 0 DFADRP C[C@@H]([NH3+])c1ccc(C(=O)N(CC[NH+](C)C)C2CCCC2)cc1 ZINC000423716344 429003180 /nfs/dbraw/zinc/00/31/80/429003180.db2.gz WXGXAGNXEBLOAB-CQSZACIVSA-N 2 0 303.450 2.653 20 0 DFADRP CCC[C@@H](NC(=O)CCC[NH+]1CCC([NH3+])CC1)c1ccccc1 ZINC000433174885 429003786 /nfs/dbraw/zinc/00/37/86/429003786.db2.gz ODFMOVPLUGCSFS-GOSISDBHSA-N 2 0 317.477 2.847 20 0 DFADRP C[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCCN(C(=O)C[C@H]2CCC[NH2+]CC2)C1 ZINC000423724610 429003906 /nfs/dbraw/zinc/00/39/06/429003906.db2.gz HBPZGBHROYGWHL-XWTMOSNGSA-N 2 0 321.509 2.630 20 0 DFADRP Cc1ccccc1C[N@H+]1CC[C@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000375891532 429007766 /nfs/dbraw/zinc/00/77/66/429007766.db2.gz RFICSMWGBJUHRA-IBGZPJMESA-N 2 0 301.478 2.595 20 0 DFADRP CC(C)[C@](C)(CN)[NH2+]CCC(=O)N[C@H]1CCCc2ccccc21 ZINC000433492935 429034544 /nfs/dbraw/zinc/03/45/44/429034544.db2.gz HHKHKJAKARNSBQ-HKUYNNGSSA-N 2 0 317.477 2.533 20 0 DFADRP CCC[N@H+](C)C[C@@H]1CCN(C(=O)c2ccc([C@@H](C)[NH3+])cc2)C1 ZINC000423446154 429089073 /nfs/dbraw/zinc/08/90/73/429089073.db2.gz SNSXDXSYYWFNBX-CABCVRRESA-N 2 0 303.450 2.510 20 0 DFADRP CC[C@@H]([NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1)c1ccc(C(=O)OC)cc1 ZINC000423450321 429089488 /nfs/dbraw/zinc/08/94/88/429089488.db2.gz XFJGQSYFYSDALZ-RCCFBDPRSA-N 2 0 316.445 2.902 20 0 DFADRP Clc1ccc2c(c1)OCCC[C@H]2NC[C@@H]1C[NH2+]CCCO1 ZINC000423489322 429097732 /nfs/dbraw/zinc/09/77/32/429097732.db2.gz FYMZWNHFZPCGEY-DZGCQCFKSA-N 2 0 310.825 2.522 20 0 DFADRP C[C@H]1C[C@H]([NH2+]C[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)CCO1 ZINC000423460809 429091116 /nfs/dbraw/zinc/09/11/16/429091116.db2.gz BLLBVAZGNFENCF-OXXUSNJHSA-N 2 0 306.425 2.676 20 0 DFADRP Cc1c([C@H](C)[NH2+]C[C@@H]2CCC[C@H]([NH3+])C2)nnn1-c1ccccc1 ZINC000423456808 429091136 /nfs/dbraw/zinc/09/11/36/429091136.db2.gz HGLNSQQGTZQWQU-IMJJTQAJSA-N 2 0 313.449 2.744 20 0 DFADRP CN(Cc1cccnc1)C[C@@H]1CC[N@H+](CC[C@H]2CCCCO2)C1 ZINC000434499351 429091683 /nfs/dbraw/zinc/09/16/83/429091683.db2.gz YAGRMQUDUNMJSO-RBUKOAKNSA-N 2 0 317.477 2.795 20 0 DFADRP Cn1ccnc1[C@H]([NH2+]C[C@@H]1CCC[C@@H]([NH3+])C1)c1cccc(F)c1 ZINC000423470555 429092300 /nfs/dbraw/zinc/09/23/00/429092300.db2.gz LHJSCLXBHVGAHS-KBRIMQKVSA-N 2 0 316.424 2.756 20 0 DFADRP CC[C@H]([NH2+]C[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1)[C@H]1CCOC1 ZINC000423468123 429092397 /nfs/dbraw/zinc/09/23/97/429092397.db2.gz JKEVFJSNFIOOMC-DKKFBQAASA-N 2 0 320.452 2.924 20 0 DFADRP C[C@H]([NH2+]C[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1)[C@H]1CCCOC1 ZINC000423474424 429094456 /nfs/dbraw/zinc/09/44/56/429094456.db2.gz OUKGMIJKIPXXHD-PCODUJHASA-N 2 0 320.452 2.924 20 0 DFADRP Clc1cc2c(c(Cl)c1)[C@H](NC[C@@H]1C[NH2+]CCCO1)CC2 ZINC000423484807 429096588 /nfs/dbraw/zinc/09/65/88/429096588.db2.gz AHWQMCPBRMQYMZ-GXTWGEPZSA-N 2 0 315.244 2.949 20 0 DFADRP C[C@H]([NH2+]CC(=O)NC1CC[NH+](C2CC2)CC1)[C@H]1CCC[C@@H](C)C1 ZINC000452066650 429047639 /nfs/dbraw/zinc/04/76/39/429047639.db2.gz LLFLQHVGPRMYCB-PMPSAXMXSA-N 2 0 321.509 2.534 20 0 DFADRP c1ccc2nc(NCC[NH2+][C@@H]3CCC[C@H]3[C@@H]3CCC[NH2+]3)ccc2c1 ZINC000422923502 429052508 /nfs/dbraw/zinc/05/25/08/429052508.db2.gz WJMGHMKHKZPIGZ-QRQLOZEOSA-N 2 0 324.472 3.157 20 0 DFADRP C[NH2+]C[C@H](C)C[NH2+]C1CCC([N@H+](C)Cc2ccccc2)CC1 ZINC000423278203 429055542 /nfs/dbraw/zinc/05/55/42/429055542.db2.gz QTUKYKZFNPBDBE-IVMQYODDSA-N 3 0 303.494 2.875 20 0 DFADRP COC(=O)CCC[C@@H]1CCC[C@@H]([NH2+]CC[C@H]2CCC[NH2+]C2)C1 ZINC000423283984 429057454 /nfs/dbraw/zinc/05/74/54/429057454.db2.gz XVYCMEUSXAVDQL-GVDBMIGSSA-N 2 0 310.482 2.868 20 0 DFADRP CC(C)([NH3+])CN[C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000423289199 429058367 /nfs/dbraw/zinc/05/83/67/429058367.db2.gz WLCGUOYDNOWAME-OKZBNKHCSA-N 3 0 301.478 2.614 20 0 DFADRP CCC[NH2+]CCNC1CC[NH+]([C@H](C)Cc2ccccc2)CC1 ZINC000423307953 429059647 /nfs/dbraw/zinc/05/96/47/429059647.db2.gz IJDUCVKZNHDGAW-QGZVFWFLSA-N 2 0 303.494 2.671 20 0 DFADRP C[C@H](C[NH3+])CN[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000423310605 429060523 /nfs/dbraw/zinc/06/05/23/429060523.db2.gz SBVHDTIWHZXPRN-NXWXRZEISA-N 3 0 301.478 2.614 20 0 DFADRP CC[NH+](CC)[C@H](C(=O)N[C@H](C[NH3+])C1CCCC1)c1ccccc1 ZINC000423937057 429060746 /nfs/dbraw/zinc/06/07/46/429060746.db2.gz DVTPLKFSGLTSGJ-MSOLQXFVSA-N 2 0 317.477 2.703 20 0 DFADRP CCC[NH2+]CCN[C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000423319329 429061876 /nfs/dbraw/zinc/06/18/76/429061876.db2.gz ZWAMQDANVNDTCM-SLFFLAALSA-N 2 0 315.505 2.876 20 0 DFADRP C[C@@H]([NH3+])c1ccc(C(=O)NC[C@@H](c2cccs2)[NH+](C)C)cc1 ZINC000423314312 429062413 /nfs/dbraw/zinc/06/24/13/429062413.db2.gz YBFCRJQFQBLMEF-DOMZBBRYSA-N 2 0 317.458 2.801 20 0 DFADRP C[C@H]([NH2+]CC1(C)CC[NH2+]CC1)c1ccc(OCC[NH+](C)C)cc1 ZINC000423329610 429064583 /nfs/dbraw/zinc/06/45/83/429064583.db2.gz MXXWVFOVIPPVEQ-INIZCTEOSA-N 3 0 319.493 2.667 20 0 DFADRP Clc1ccccc1CN1CCC([NH2+]CC2=CC[NH2+]CC2)CC1 ZINC000423328110 429064616 /nfs/dbraw/zinc/06/46/16/429064616.db2.gz AFLKDWKQWBIVBS-UHFFFAOYSA-N 2 0 319.880 2.814 20 0 DFADRP C[C@H]1C[C@H]([NH2+]CC2(C)CC[NH2+]CC2)CN1Cc1ccccc1 ZINC000423326419 429065701 /nfs/dbraw/zinc/06/57/01/429065701.db2.gz KMPSDOQQTYPIOC-WMZOPIPTSA-N 2 0 301.478 2.629 20 0 DFADRP C[C@@H](C(=O)N[C@@H](CCC[NH3+])c1ccccc1)[NH+]1CCCCCC1 ZINC000423967443 429066760 /nfs/dbraw/zinc/06/67/60/429066760.db2.gz JJMWFKARQZPILE-WMZOPIPTSA-N 2 0 317.477 2.847 20 0 DFADRP C[C@@H]([NH3+])c1ccc(C(=O)NC[C@@H](C)C[NH+]2CCCCC2)cc1 ZINC000423339033 429066973 /nfs/dbraw/zinc/06/69/73/429066973.db2.gz BJZCEBMADYKJRJ-HUUCEWRRSA-N 2 0 303.450 2.558 20 0 DFADRP C[C@H](CNC(=O)c1ccc([C@H](C)[NH3+])cc1)[N@@H+]1CCCC[C@@H]1C ZINC000423335070 429067279 /nfs/dbraw/zinc/06/72/79/429067279.db2.gz TXRUFKSOQUDGII-ZNMIVQPWSA-N 2 0 303.450 2.699 20 0 DFADRP Cc1nc(-c2cccnc2)sc1[C@H](C)[NH2+]C[C@@H]1CC[NH2+]C1 ZINC000423334355 429067891 /nfs/dbraw/zinc/06/78/91/429067891.db2.gz IGARKUCBTSGOCD-WCQYABFASA-N 2 0 302.447 2.774 20 0 DFADRP CC[C@@H](C(=O)N[C@@H](CCC[NH3+])c1ccccc1)[NH+](CC)CC ZINC000423972914 429068369 /nfs/dbraw/zinc/06/83/69/429068369.db2.gz PUAHXWGDIXWPFV-IRXDYDNUSA-N 2 0 305.466 2.703 20 0 DFADRP Brc1cc2c(s1)CC[C@@H]2[NH2+]C[C@H]1CC[NH2+]C1 ZINC000423335467 429068548 /nfs/dbraw/zinc/06/85/48/429068548.db2.gz IWRCIWHRCWNROA-WPRPVWTQSA-N 2 0 301.253 2.697 20 0 DFADRP CCOC(=O)[C@@H]1CC[C@@H]([NH2+]CC2=CC[NH2+]CC2)c2ccccc21 ZINC000423345235 429070158 /nfs/dbraw/zinc/07/01/58/429070158.db2.gz FUXKMIFCEADAML-QZTJIDSGSA-N 2 0 314.429 2.678 20 0 DFADRP CC1(C)[C@H]([NH2+]CC2=CC[NH2+]CC2)C[C@@H]1OCc1ccccc1 ZINC000423349021 429070716 /nfs/dbraw/zinc/07/07/16/429070716.db2.gz VRCPRLDIEQIOKT-MSOLQXFVSA-N 2 0 300.446 2.880 20 0 DFADRP COc1ccc([C@H](C)[C@@H](C)[NH2+]CC[C@H]2CCC[NH2+]2)cc1OC ZINC000423355641 429072568 /nfs/dbraw/zinc/07/25/68/429072568.db2.gz FQDQYGWYWNJNPZ-IIAWOOMASA-N 2 0 306.450 2.928 20 0 DFADRP C[C@H]([NH3+])c1ccc(C(=O)N2CCC[N@@H+](C3CCCC3)CC2)cc1 ZINC000423362493 429072740 /nfs/dbraw/zinc/07/27/40/429072740.db2.gz IDHPOCGGVSDXRC-HNNXBMFYSA-N 2 0 315.461 2.797 20 0 DFADRP C[C@@H]1C[NH2+]CC[C@H]1N[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000423364672 429073728 /nfs/dbraw/zinc/07/37/28/429073728.db2.gz CRXQRPNIGBONIC-XIKSMUEASA-N 2 0 313.489 2.770 20 0 DFADRP COc1ccc(C[C@H](C)[NH2+][C@@H]2CCC[C@H]([NH3+])C2)c(C)c1OC ZINC000423371351 429074654 /nfs/dbraw/zinc/07/46/54/429074654.db2.gz QEZGCAWUPCKLNA-VBNZEHGJSA-N 2 0 306.450 2.803 20 0 DFADRP CC[N@@H+]1CCCC[C@@H]1CNC(=O)C(C)(C)[C@@H]([NH3+])c1ccccc1 ZINC000423364239 429075258 /nfs/dbraw/zinc/07/52/58/429075258.db2.gz AXLNUHTWPPSQEM-SJORKVTESA-N 2 0 317.477 2.703 20 0 DFADRP C[C@H]([NH3+])c1ccc(C(=O)NCC[NH+]2[C@@H](C)CCC[C@@H]2C)cc1 ZINC000423368742 429075321 /nfs/dbraw/zinc/07/53/21/429075321.db2.gz FLSDVUBLWLPPMX-KKUMJFAQSA-N 2 0 303.450 2.699 20 0 DFADRP CC(C)[C@@H](C(=O)Nc1cccc(OCCC[NH+](C)C)c1)[C@H](C)[NH3+] ZINC000423407525 429081228 /nfs/dbraw/zinc/08/12/28/429081228.db2.gz MMWXQWMXQREMRL-WMLDXEAASA-N 2 0 321.465 2.575 20 0 DFADRP COCC1(C[NH2+][C@@H](C)c2ccc(F)c(OC)c2)CC[NH2+]CC1 ZINC000423405115 429081515 /nfs/dbraw/zinc/08/15/15/429081515.db2.gz JEUYSWDTFCHWJR-ZDUSSCGKSA-N 2 0 310.413 2.501 20 0 DFADRP CCc1nc2c(s1)[C@H]([NH2+]CC1(COC)CC[NH2+]CC1)CCC2 ZINC000423412329 429082780 /nfs/dbraw/zinc/08/27/80/429082780.db2.gz WPRMJUPPHHDPIR-CYBMUJFWSA-N 2 0 323.506 2.689 20 0 DFADRP C[C@H]([NH2+]C[C@H]1C[NH2+]C[C@H]1O)c1ccc(-c2ccccc2F)s1 ZINC000423410214 429082993 /nfs/dbraw/zinc/08/29/93/429082993.db2.gz RMFRKZYCXZOFBW-YWPYICTPSA-N 2 0 320.433 2.785 20 0 DFADRP COC[C@]1(C[NH2+][C@H](Cc2ccc(C)cc2)C2CC2)CCC[NH2+]1 ZINC000423412798 429083984 /nfs/dbraw/zinc/08/39/84/429083984.db2.gz IOZPIAUUXGIAHA-RTBURBONSA-N 2 0 302.462 2.674 20 0 DFADRP COC[C@@]1(C[NH2+][C@H](Cc2ccc(C)cc2)C(C)C)CCC[NH2+]1 ZINC000423419320 429084841 /nfs/dbraw/zinc/08/48/41/429084841.db2.gz VTWVMQFAZZARQZ-MOPGFXCFSA-N 2 0 304.478 2.920 20 0 DFADRP COC[C@@]1(C[NH2+][C@H](Cc2cccc(C)c2)C2CC2)CCC[NH2+]1 ZINC000423421192 429085101 /nfs/dbraw/zinc/08/51/01/429085101.db2.gz JXGFNPUCICKESJ-MOPGFXCFSA-N 2 0 302.462 2.674 20 0 DFADRP C[C@H](NC(=O)CC[C@H]([NH3+])CC1CCCCC1)[C@@H]1CCC[NH2+]C1 ZINC000424060688 429085303 /nfs/dbraw/zinc/08/53/03/429085303.db2.gz QPQBVAIICFYNLJ-UAGQMJEPSA-N 2 0 309.498 2.569 20 0 DFADRP COc1ccc([C@H](C)[NH2+][C@H](C)CCCC[NH3+])cc1NC(C)=O ZINC000423426737 429085967 /nfs/dbraw/zinc/08/59/67/429085967.db2.gz HXSHZFWDLCKDAZ-OLZOCXBDSA-N 2 0 307.438 2.822 20 0 DFADRP COc1ccc([C@@H](C)[NH2+][C@@H]2C[C@H]2C2CC[NH2+]CC2)cc1OC ZINC000423425910 429085982 /nfs/dbraw/zinc/08/59/82/429085982.db2.gz DQRPVFPDHQZAFN-UHOFOFEASA-N 2 0 304.434 2.743 20 0 DFADRP CC[NH+](CC)C[C@H]1CCN(C(=O)c2ccc([C@@H](C)[NH3+])cc2)C1 ZINC000423433488 429087661 /nfs/dbraw/zinc/08/76/61/429087661.db2.gz JVZARZAPEFBCPB-HUUCEWRRSA-N 2 0 303.450 2.510 20 0 DFADRP C[C@@H]([NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1)c1ccc(-n2cccn2)cc1 ZINC000423428891 429087735 /nfs/dbraw/zinc/08/77/35/429087735.db2.gz GVLSUDQVRVYJEO-MDASCCDHSA-N 2 0 310.445 2.911 20 0 DFADRP CC(C)[N@H+](C)CCC[NH2+][C@H]1CCC[C@H]1NC(=O)OC(C)(C)C ZINC000494695856 429145443 /nfs/dbraw/zinc/14/54/43/429145443.db2.gz YOWXLGAMUFXRSD-LSDHHAIUSA-N 2 0 313.486 2.752 20 0 DFADRP CCc1ccccc1NC(=O)CN(CC)[C@H]1CCC[NH2+]CC1 ZINC000435612352 429153118 /nfs/dbraw/zinc/15/31/18/429153118.db2.gz FXIIURJBDAFFSQ-INIZCTEOSA-N 2 0 303.450 2.652 20 0 DFADRP CC[N@H+](CCOCCOc1ccccc1)[C@@H]1CCC[NH2+]CC1 ZINC000435627402 429155385 /nfs/dbraw/zinc/15/53/85/429155385.db2.gz NIAWMOQSCYSURK-QGZVFWFLSA-N 2 0 306.450 2.546 20 0 DFADRP CC[N@H+](CCc1nc2ccccc2n1C)[C@H]1CCC[NH2+]CC1 ZINC000435628078 429156216 /nfs/dbraw/zinc/15/62/16/429156216.db2.gz UAZXQEAWZTVHOV-HNNXBMFYSA-N 2 0 300.450 2.580 20 0 DFADRP CCC[N@H+](C)CC(=O)Nc1ccc2c(ccnc2N(C)C)c1 ZINC000452350713 429099339 /nfs/dbraw/zinc/09/93/39/429099339.db2.gz DDIRNYIUQRNDGO-UHFFFAOYSA-N 2 0 300.406 2.581 20 0 DFADRP Clc1cccc([C@@H]2CC[C@@H]([NH2+]C[C@@H]3C[NH2+]CCCO3)C2)c1 ZINC000423492847 429099558 /nfs/dbraw/zinc/09/95/58/429099558.db2.gz OVGKWHMGCMYAMP-OIISXLGYSA-N 2 0 308.853 2.944 20 0 DFADRP C[C@H]([NH2+][C@H]1CC[C@H](C[NH3+])C1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000423495518 429099614 /nfs/dbraw/zinc/09/96/14/429099614.db2.gz UNDZUDJVINYUCI-DCGLDWPTSA-N 2 0 316.449 2.749 20 0 DFADRP C[C@@H]([NH2+]C[C@@H]1C[NH2+]CCCO1)C1CCC(C(F)(F)F)CC1 ZINC000423490891 429099644 /nfs/dbraw/zinc/09/96/44/429099644.db2.gz ISPHSSAZKWOQSV-RYSNWHEDSA-N 2 0 308.388 2.712 20 0 DFADRP C[C@@H]([NH2+]C[C@@H]1C[NH2+]CCCO1)C1(c2ccccc2)CCCC1 ZINC000423494901 429099804 /nfs/dbraw/zinc/09/98/04/429099804.db2.gz SQPTWOOPTALBOT-AEFFLSMTSA-N 2 0 302.462 2.855 20 0 DFADRP C[C@@H]1CN([C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)C[C@@]1(C)C[NH3+] ZINC000423505580 429100731 /nfs/dbraw/zinc/10/07/31/429100731.db2.gz HEENHOVCFVAKTQ-KVPLUYHFSA-N 2 0 315.505 2.814 20 0 DFADRP COc1ccc([C@@H](C)[N@@H+]2C[C@@H](C)[C@](C)(C[NH3+])C2)cc1NC(C)=O ZINC000423503860 429101211 /nfs/dbraw/zinc/10/12/11/429101211.db2.gz FIJDARSGXUZTFB-SNUQEOBHSA-N 2 0 319.449 2.631 20 0 DFADRP COc1ccc([C@H](C)[C@H](C)[NH2+][C@H]2CC[C@H](C[NH3+])C2)cc1OC ZINC000423510735 429104669 /nfs/dbraw/zinc/10/46/69/429104669.db2.gz PTPYQDRCMOEQHS-HOSILWTGSA-N 2 0 306.450 2.913 20 0 DFADRP CCOC[C@@H]1CCC[C@H]1[NH2+]CC1([NH3+])C2CC3CC(C2)CC1C3 ZINC000423515497 429106118 /nfs/dbraw/zinc/10/61/18/429106118.db2.gz AARLDLVICOSUPT-PRLDQDABSA-N 2 0 306.494 2.935 20 0 DFADRP C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)CC[C@H]([NH3+])CC1CCCCC1 ZINC000424181395 429106531 /nfs/dbraw/zinc/10/65/31/429106531.db2.gz RBXUDRPQBXXANG-NJAFHUGGSA-N 2 0 323.525 2.863 20 0 DFADRP [NH3+][C@H](CCC(=O)N[C@@H]1C[C@H]1C1CC[NH2+]CC1)CC1CCCCC1 ZINC000424179164 429107500 /nfs/dbraw/zinc/10/75/00/429107500.db2.gz SNNNFBLXNYCVTA-FGTMMUONSA-N 2 0 321.509 2.569 20 0 DFADRP CC1(C)[C@@H]([NH2+]CC2([NH3+])C3CC4CC(C3)CC2C4)[C@@H]2CCO[C@@H]21 ZINC000423522835 429109035 /nfs/dbraw/zinc/10/90/35/429109035.db2.gz HRUUDFQHFMJDQY-NBZMFWTISA-N 2 0 304.478 2.543 20 0 DFADRP C[C@@H]1C[C@H](C)N(C(=O)CC[C@@H]([NH3+])CC2CCCCC2)C[C@H]1C[NH3+] ZINC000424201802 429109377 /nfs/dbraw/zinc/10/93/77/429109377.db2.gz OWJFTIQPJSGRMA-CYGHRXIMSA-N 2 0 323.525 2.896 20 0 DFADRP COc1ccc([C@@H](C)[NH2+]CCOCC[NH+](C)C)c(Cl)c1 ZINC000424277488 429117655 /nfs/dbraw/zinc/11/76/55/429117655.db2.gz GOBYURGCRLLKGY-GFCCVEGCSA-N 2 0 300.830 2.577 20 0 DFADRP Cc1ccc(NC(=O)C[N@H+]2CC3(C[C@H]2C)CC[NH2+]CC3)c(C)c1 ZINC000424284188 429119387 /nfs/dbraw/zinc/11/93/87/429119387.db2.gz CZNZSAJTPPKMMI-MRXNPFEDSA-N 2 0 315.461 2.706 20 0 DFADRP CCC[NH+]1CCC(N(C)C[C@@H](C[NH3+])c2ccc(F)cc2)CC1 ZINC000424278691 429119455 /nfs/dbraw/zinc/11/94/55/429119455.db2.gz DWLDPZXYOAACHX-MRXNPFEDSA-N 2 0 307.457 2.674 20 0 DFADRP C[C@@H]1CC2(C[N@@H+]1Cc1ccc(-n3cccn3)cc1)CC[NH2+]CC2 ZINC000424287531 429119605 /nfs/dbraw/zinc/11/96/05/429119605.db2.gz IXURALVQKRJFFZ-MRXNPFEDSA-N 2 0 310.445 2.836 20 0 DFADRP CCc1ccc(C[NH+]2CCC(n3ncc4c3C[NH2+]C4)CC2)cc1 ZINC000424288056 429119881 /nfs/dbraw/zinc/11/98/81/429119881.db2.gz JWYNLAKCNRSYER-UHFFFAOYSA-N 2 0 310.445 2.886 20 0 DFADRP C[C@H]1CC2(C[N@@H+]1Cc1cc(-c3ccco3)on1)CC[NH2+]CC2 ZINC000424292015 429121229 /nfs/dbraw/zinc/12/12/29/429121229.db2.gz NXHPFSDWFAKLEI-ZDUSSCGKSA-N 2 0 301.390 2.899 20 0 DFADRP C[C@H](C[NH2+][C@@H](C1CCC1)C1CCCCC1)N1CC[NH+](C)CC1 ZINC000424289948 429121481 /nfs/dbraw/zinc/12/14/81/429121481.db2.gz ARNZTZKTGRJVIH-VQIMIIECSA-N 2 0 307.526 2.961 20 0 DFADRP Cc1cc(C[NH+]2CCC(c3c[nH]cn3)CC2)ccc1-n1cncn1 ZINC000376491108 429121856 /nfs/dbraw/zinc/12/18/56/429121856.db2.gz JMJPPYACZLAMBT-UHFFFAOYSA-N 2 0 322.416 2.678 20 0 DFADRP C[C@@H]1CC2(C[N@@H+]1Cc1ccc(-n3ccnc3)cc1)CC[NH2+]CC2 ZINC000424298342 429122236 /nfs/dbraw/zinc/12/22/36/429122236.db2.gz ULQJBCMSAJTGPX-MRXNPFEDSA-N 2 0 310.445 2.836 20 0 DFADRP CC(C)[NH+]1CCC(N(C)C[C@@H](C[NH3+])c2ccc(F)cc2)CC1 ZINC000424301361 429122570 /nfs/dbraw/zinc/12/25/70/429122570.db2.gz KUSJXYIEBHALCZ-MRXNPFEDSA-N 2 0 307.457 2.673 20 0 DFADRP COC(=O)c1cc(C[N@@H+]2CC3(C[C@@H]2C)CC[NH2+]CC3)c(C)s1 ZINC000424301156 429123654 /nfs/dbraw/zinc/12/36/54/429123654.db2.gz XGACKCPCGKJZMK-LBPRGKRZSA-N 2 0 322.474 2.807 20 0 DFADRP C[C@@H](N[C@@H]1CCCC[C@H]1[NH3+])[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000424378162 429131797 /nfs/dbraw/zinc/13/17/97/429131797.db2.gz SJHUJGBQTFCHOG-QXCFHYIPSA-N 2 0 301.478 2.757 20 0 DFADRP C[C@H]1C[C@@H](C[N@@H+]2C[C@@H]3CCN(Cc4ccccc4)[C@@H]3C2)CC[NH2+]1 ZINC000424363323 429132255 /nfs/dbraw/zinc/13/22/55/429132255.db2.gz BQKUPJSAGDMYNB-FRYIKTPZSA-N 2 0 313.489 2.581 20 0 DFADRP C[C@H]1CC2(C[N@@H+]1Cc1cc(-n3ccnc3)cs1)CC[NH2+]CC2 ZINC000424380069 429133943 /nfs/dbraw/zinc/13/39/43/429133943.db2.gz PGPAQKTWJZMBCE-AWEZNQCLSA-N 2 0 316.474 2.898 20 0 DFADRP CC[C@@H]([NH3+])CNc1cc[nH+]c2cc(OC)c(Br)cc12 ZINC000424407927 429136258 /nfs/dbraw/zinc/13/62/58/429136258.db2.gz CYXGFXOZWSNDDF-SECBINFHSA-N 2 0 324.222 2.577 20 0 DFADRP CC(C)(C)c1nn(-c2ccccc2)cc1C[N@@H+]1CC[C@H](C[NH3+])C1 ZINC000435393102 429140462 /nfs/dbraw/zinc/14/04/62/429140462.db2.gz YXRFHYYXFRCTPK-OAHLLOKOSA-N 2 0 312.461 2.950 20 0 DFADRP CC[NH+](CC)C[C@@H]1CCCC[C@H]1NC(=O)CC[C@@H]1CCC[NH2+]1 ZINC000494671200 429140691 /nfs/dbraw/zinc/14/06/91/429140691.db2.gz BZLYYFIOFPELMF-YESZJQIVSA-N 2 0 309.498 2.535 20 0 DFADRP Cc1cc(C[NH3+])cc(NC(=O)N[C@H](C)C[N@@H+]2CCC[C@H](C)C2)c1 ZINC000424448462 429142594 /nfs/dbraw/zinc/14/25/94/429142594.db2.gz XZTWFNGIZFTVMP-DZGCQCFKSA-N 2 0 318.465 2.696 20 0 DFADRP CC[NH+](CC)CCCCNC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000487618622 429161951 /nfs/dbraw/zinc/16/19/51/429161951.db2.gz PBCMYLABPDSFIQ-QGZVFWFLSA-N 2 0 323.525 2.879 20 0 DFADRP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(CN3CC[NH+](C)CC3)cc2)[C@H]1C ZINC000494927289 429165207 /nfs/dbraw/zinc/16/52/07/429165207.db2.gz ZUMFJPZYCBXBFL-JTDSTZFVSA-N 2 0 301.478 2.568 20 0 DFADRP CCC[N@H+](CCC[NH2+]C)C1CCN(C(=O)c2ccccc2)CC1 ZINC000435869154 429168391 /nfs/dbraw/zinc/16/83/91/429168391.db2.gz BAKOAHOELLUUOD-UHFFFAOYSA-N 2 0 317.477 2.613 20 0 DFADRP CC1(C)NC(=O)CC[C@@H]1[NH2+]C[C@@H]1CCCN1CC1CCCCC1 ZINC000495069359 429175159 /nfs/dbraw/zinc/17/51/59/429175159.db2.gz SBLFXAIAHKQULK-IRXDYDNUSA-N 2 0 321.509 2.678 20 0 DFADRP C[C@H](Cc1ccccc1)C[NH+]1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000364330102 429182544 /nfs/dbraw/zinc/18/25/44/429182544.db2.gz UFQMNXWGJFTQKN-UYAOXDASSA-N 2 0 315.505 2.577 20 0 DFADRP COc1ccsc1[C@H](C)[NH2+]C[C@H]1CCC[C@@H]1N1CCOCC1 ZINC000364304123 429178219 /nfs/dbraw/zinc/17/82/19/429178219.db2.gz BXVKKSWWGOZWOA-ZNMIVQPWSA-N 2 0 324.490 2.908 20 0 DFADRP CC(C)c1ccc([C@H]([NH3+])CNC(=O)C[C@@H]2CCC[NH2+]CC2)cc1 ZINC000364469218 429209111 /nfs/dbraw/zinc/20/91/11/429209111.db2.gz TVCNMKMRMOTNJG-CRAIPNDOSA-N 2 0 317.477 2.706 20 0 DFADRP C1C[C@@]2(CO1)C[C@@H]([NH2+]C1CC[NH+](C3CCCCC3)CC1)CCO2 ZINC000374525987 275415054 /nfs/dbraw/zinc/41/50/54/275415054.db2.gz DGCCLWYYPLLKDO-HKUYNNGSSA-N 2 0 322.493 2.711 20 0 DFADRP CN(C(=O)CCC1CCCC1)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000365231728 429284724 /nfs/dbraw/zinc/28/47/24/429284724.db2.gz YQORGDNBTHAFRV-SFHVURJKSA-N 2 0 321.509 2.584 20 0 DFADRP CCn1ccnc1[C@@H](C)NC(=O)c1sccc1C[NH+](C)C ZINC000456362118 429288095 /nfs/dbraw/zinc/28/80/95/429288095.db2.gz TUGPIMPMLRIVHW-LLVKDONJSA-N 2 0 306.435 2.517 20 0 DFADRP CS[C@@H]1CC[C@H]1[NH2+]Cc1ccccc1C[N@@H+]1CCC[C@H]1CO ZINC000425343018 429269443 /nfs/dbraw/zinc/26/94/43/429269443.db2.gz HWJAWZXYFZDLJU-RCCFBDPRSA-N 2 0 320.502 2.627 20 0 DFADRP CS[C@@H]1CC[C@H]1[NH2+]CCc1ccc(OCC[NH+](C)C)cc1 ZINC000425361596 429278753 /nfs/dbraw/zinc/27/87/53/429278753.db2.gz UJMUIYJIRVGGHS-IAGOWNOFSA-N 2 0 308.491 2.653 20 0 DFADRP CC[NH+]1CCN([C@@H](C)C[NH2+]C2CCC(CSC)CC2)CC1 ZINC000449078265 429325105 /nfs/dbraw/zinc/32/51/05/429325105.db2.gz LMSIVUXJINOWBM-GTPINHCMSA-N 2 0 313.555 2.524 20 0 DFADRP CCN1CC[NH+](CCCC[NH2+]CCc2cccc(C)c2)CC1 ZINC000449074042 429325966 /nfs/dbraw/zinc/32/59/66/429325966.db2.gz BDYZUVGTSXBQTF-UHFFFAOYSA-N 2 0 303.494 2.545 20 0 DFADRP CC[NH+]1CCN(c2ccc(C[NH2+][C@H]3CCC(C)(C)C3)cn2)CC1 ZINC000449081795 429326420 /nfs/dbraw/zinc/32/64/20/429326420.db2.gz HYMFSNFJUSPIKM-KRWDZBQOSA-N 2 0 316.493 2.892 20 0 DFADRP C[NH+]1CCN(c2cc(C[NH2+][C@H]3CCCC34CCC4)ccn2)CC1 ZINC000449083788 429327689 /nfs/dbraw/zinc/32/76/89/429327689.db2.gz VJANFMPYGFZKKB-KRWDZBQOSA-N 2 0 314.477 2.646 20 0 DFADRP C[NH2+][C@@H](CC(C)(C)C)C(=O)NCC(C)(C)[N@@H+]1CCC[C@H](C)C1 ZINC000449098594 429331326 /nfs/dbraw/zinc/33/13/26/429331326.db2.gz KAQQUDJFOXLEJS-GJZGRUSLSA-N 2 0 311.514 2.637 20 0 DFADRP CC[C@H]([NH2+]Cc1cccnc1N1CC[NH+](C)CC1)C1CCC1 ZINC000449109017 429335134 /nfs/dbraw/zinc/33/51/34/429335134.db2.gz WUUBUGMUNCWYCV-KRWDZBQOSA-N 2 0 302.466 2.502 20 0 DFADRP O=C(NC1CC[NH+](C2CCC2)CC1)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC000456684292 429337504 /nfs/dbraw/zinc/33/75/04/429337504.db2.gz NJZPMBQGXHGAQJ-SFHVURJKSA-N 2 0 319.493 2.527 20 0 DFADRP CCC[NH2+][C@H](C)C(=O)NC[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000449134207 429339513 /nfs/dbraw/zinc/33/95/13/429339513.db2.gz HNEYPLULCVCSIP-YCPHGPKFSA-N 2 0 323.506 2.635 20 0 DFADRP C[C@@H](C[NH2+][C@H]1CCCC12CCCCC2)CN1CC[NH+](C)CC1 ZINC000449131266 429340575 /nfs/dbraw/zinc/34/05/75/429340575.db2.gz LHSVGMSMGGNRSC-ROUUACIJSA-N 2 0 307.526 2.963 20 0 DFADRP COc1ccc2oc(C[NH2+]C[C@H]3CCn4ccnc4C3)cc2c1 ZINC000365557084 429341140 /nfs/dbraw/zinc/34/11/40/429341140.db2.gz PINSMSYFAIIAFE-ZDUSSCGKSA-N 2 0 311.385 2.990 20 0 DFADRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H]2CCO[C@@H](CC)C2)[C@H](C)C1 ZINC000449139862 429341555 /nfs/dbraw/zinc/34/15/55/429341555.db2.gz LZPJNYZQJFZEBO-BDXSIMOUSA-N 2 0 312.498 2.671 20 0 DFADRP COC[C@H](CCO)[NH2+]C1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC000449153534 429346219 /nfs/dbraw/zinc/34/62/19/429346219.db2.gz FAICKCOGFLTWLV-INIZCTEOSA-N 2 0 314.514 2.653 20 0 DFADRP O[C@@H](Cc1ccccc1)C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000425415823 429291032 /nfs/dbraw/zinc/29/10/32/429291032.db2.gz FVYGLUJEYNXFLD-IHPCNDPISA-N 2 0 314.473 2.539 20 0 DFADRP C([NH+]1CC[C@H]2CCC[C@@H]21)C1(C[N@@H+]2CC[C@@H]3CCC[C@@H]32)COC1 ZINC000426457190 429393082 /nfs/dbraw/zinc/39/30/82/429393082.db2.gz XRLJZTPEUWROFE-MHORFTMASA-N 2 0 304.478 2.752 20 0 DFADRP CC(C)CC[N@@H+]1Cc2cccc(NC(=O)[C@@H]3C[NH2+]C[C@H]3C)c2C1 ZINC000449337962 429393198 /nfs/dbraw/zinc/39/31/98/429393198.db2.gz DNBOENBCGOUOFZ-GDBMZVCRSA-N 2 0 315.461 2.842 20 0 DFADRP Cn1nccc1-c1ccccc1C[N@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000507367312 429349718 /nfs/dbraw/zinc/34/97/18/429349718.db2.gz LBCSGSRVTHCMSM-INIZCTEOSA-N 2 0 312.461 2.861 20 0 DFADRP Cc1csc([C@H](C)C[NH2+]Cc2cc(C3CC[NH2+]CC3)no2)n1 ZINC000425896014 429351548 /nfs/dbraw/zinc/35/15/48/429351548.db2.gz MOCWJVOWVVNESW-LLVKDONJSA-N 2 0 320.462 2.800 20 0 DFADRP Cc1cccc(CC[NH2+]C2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)c1 ZINC000449183255 429351977 /nfs/dbraw/zinc/35/19/77/429351977.db2.gz FHTLGSBPJQCBQA-VQTJNVASSA-N 2 0 316.489 2.895 20 0 DFADRP C[C@H](CNC1CC[NH+]([C@@H](C)Cc2ccccc2)CC1)[NH+](C)C ZINC000449228168 429363355 /nfs/dbraw/zinc/36/33/55/429363355.db2.gz XREOXJBQZOONQW-DLBZAZTESA-N 2 0 303.494 2.622 20 0 DFADRP Cc1cccc(CC[NH2+]Cc2ccccc2C[N@@H+]2CC[C@@H](O)C2)c1 ZINC000449231891 429364211 /nfs/dbraw/zinc/36/42/11/429364211.db2.gz GESXJOJHKYUQNI-OAQYLSRUSA-N 2 0 324.468 2.894 20 0 DFADRP C[N@H+]1CC=C(C[NH2+]Cc2ccc3c(c2)OCCCCO3)CC1 ZINC000449245451 429364695 /nfs/dbraw/zinc/36/46/95/429364695.db2.gz AYPQNXKTIWWXJZ-UHFFFAOYSA-N 2 0 302.418 2.590 20 0 DFADRP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+][C@@H]2C[C@@H](O)C2(C)C)CC1 ZINC000449256014 429368140 /nfs/dbraw/zinc/36/81/40/429368140.db2.gz BMQRKJBKAJAYLN-ATZDWAIDSA-N 2 0 316.489 2.831 20 0 DFADRP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+]CCC(C)(C)O)CC1 ZINC000449259861 429369770 /nfs/dbraw/zinc/36/97/70/429369770.db2.gz VJLPZQROCLUNJW-MRXNPFEDSA-N 2 0 304.478 2.833 20 0 DFADRP C[N@@H+]1CC[C@H]([NH2+][C@@H]2CCN(c3ccccc3F)C2)[C@@H]2CCC[C@@H]21 ZINC000426296007 429380581 /nfs/dbraw/zinc/38/05/81/429380581.db2.gz PBXAPZNLIQUUDP-FZCLSBEQSA-N 2 0 317.452 2.867 20 0 DFADRP CC[NH+](CC)[C@H](CNC(=O)C[C@@H]1CCCC[C@@H]1[NH3+])CC(C)C ZINC000449319649 429385260 /nfs/dbraw/zinc/38/52/60/429385260.db2.gz ZEUBGEDOCIEBQJ-ULQDDVLXSA-N 2 0 311.514 2.767 20 0 DFADRP CC[NH+](CC)[C@H](CNC(=O)C[C@@H]1CCCC[C@H]1[NH3+])CC(C)C ZINC000449319651 429385284 /nfs/dbraw/zinc/38/52/84/429385284.db2.gz ZEUBGEDOCIEBQJ-YESZJQIVSA-N 2 0 311.514 2.767 20 0 DFADRP CC(C)[C@@H](C(=O)N1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1)[NH+](C)C ZINC000426385635 429388039 /nfs/dbraw/zinc/38/80/39/429388039.db2.gz PPTSKYDESGRKPV-KURKYZTESA-N 2 0 323.525 2.686 20 0 DFADRP Cc1cc(C[N@@H+]2CCN(C3CC[NH+](C)CC3)[C@H](C)C2)cs1 ZINC000449324164 429388566 /nfs/dbraw/zinc/38/85/66/429388566.db2.gz CWXNYEILORNATO-CQSZACIVSA-N 2 0 307.507 2.657 20 0 DFADRP CC(C)[C@@H](CO)C[NH2+]C1CC[NH+]([C@@H](C)Cc2ccccc2)CC1 ZINC000449322498 429388731 /nfs/dbraw/zinc/38/87/31/429388731.db2.gz XNSJUUNEYGZUBQ-PKOBYXMFSA-N 2 0 318.505 2.936 20 0 DFADRP C[C@@H]1CCC[N@H+](Cc2ccc(NC(=O)/C=C/C[NH+](C)C)cc2)C1 ZINC000491686420 429389833 /nfs/dbraw/zinc/38/98/33/429389833.db2.gz QPCQBONVAATHHG-BIENSFFJSA-N 2 0 315.461 2.975 20 0 DFADRP C[C@H]1CCC[N@H+](Cc2ccc(NC(=O)/C=C\C[NH+](C)C)cc2)C1 ZINC000491686422 429390411 /nfs/dbraw/zinc/39/04/11/429390411.db2.gz QPCQBONVAATHHG-WRLNGNIRSA-N 2 0 315.461 2.975 20 0 DFADRP C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)C[C@H]2CCCC[C@@H]2[NH3+])C1 ZINC000449336668 429390475 /nfs/dbraw/zinc/39/04/75/429390475.db2.gz OGFGLVLOSQSHNF-OAGGEKHMSA-N 2 0 309.498 2.521 20 0 DFADRP C[C@@](C[NH3+])(NCc1cc(Br)cc(F)c1F)C1CC1 ZINC000519603538 429470489 /nfs/dbraw/zinc/47/04/89/429470489.db2.gz MLYVCRLSCJRHDE-ZDUSSCGKSA-N 2 0 319.193 2.944 20 0 DFADRP C[C@@H]1CCC[N@H+](CCCCNC(=O)[C@@H]2CCCCCC[C@H]2[NH3+])C1 ZINC000518970746 429440982 /nfs/dbraw/zinc/44/09/82/429440982.db2.gz NTNJTVPDMRDIDZ-KZNAEPCWSA-N 2 0 323.525 2.912 20 0 DFADRP CCOC(=O)C1(C)CCC([NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000449560533 429447256 /nfs/dbraw/zinc/44/72/56/429447256.db2.gz MJCNTLJXIDWGRL-IHNMNCEXSA-N 2 0 308.466 2.713 20 0 DFADRP C[C@H](CC(=O)Nc1cccc(F)c1)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000449561611 429448133 /nfs/dbraw/zinc/44/81/33/429448133.db2.gz WDFAVXIGJHOEJD-FCLXEUQJSA-N 2 0 319.424 2.758 20 0 DFADRP CC(C)[NH2+]CCCN[C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]12 ZINC000519537470 429463479 /nfs/dbraw/zinc/46/34/79/429463479.db2.gz FSKUDOMDWHNVNZ-VAMGGRTRSA-N 3 0 315.505 2.875 20 0 DFADRP CSc1ccc([C@H](C[NH2+][C@@H]2CCC[C@@H]([NH3+])C2)N(C)C)cc1 ZINC000518397087 429421616 /nfs/dbraw/zinc/42/16/16/429421616.db2.gz OOABECQTIFVHJK-INMHGKMJSA-N 2 0 307.507 2.871 20 0 DFADRP CCCOc1cc(CN2CC[C@@H]3[NH2+]CC[C@H]3C2)ccc1OC ZINC000427102064 429431636 /nfs/dbraw/zinc/43/16/36/429431636.db2.gz RIEAJUIMLXHUDZ-HOTGVXAUSA-N 2 0 304.434 2.668 20 0 DFADRP COc1ccc(C(C)(C)C[NH2+][C@H](C)[C@H]2CCC[NH2+]C2)cc1OC ZINC000520761886 429526744 /nfs/dbraw/zinc/52/67/44/429526744.db2.gz ONOLFFXNRWEULB-CABCVRRESA-N 2 0 320.477 2.959 20 0 DFADRP CC[N@@H+]1CC[C@H]([NH+](C)C[C@H](C)NC(=O)OC(C)(C)C)[C@H](C)C1 ZINC000492130966 429472282 /nfs/dbraw/zinc/47/22/82/429472282.db2.gz IAMWKDDWTTXEPC-ILXRZTDVSA-N 2 0 313.486 2.562 20 0 DFADRP CC[N@@H+]1CC[C@@H](N(C)C(=O)C2C[NH+](C3CCCCC3)C2)C[C@H]1C ZINC000457582215 429491001 /nfs/dbraw/zinc/49/10/01/429491001.db2.gz RSMQMMVPGUVFBO-CRAIPNDOSA-N 2 0 321.509 2.582 20 0 DFADRP C[C@H](c1ccccc1)[C@H](O)C[NH2+]CC(C)(C)C[NH+]1CCCC1 ZINC000519818345 429492569 /nfs/dbraw/zinc/49/25/69/429492569.db2.gz GXLGGIHKTPDAAQ-SJLPKXTDSA-N 2 0 304.478 2.863 20 0 DFADRP CC[NH+]1CCN(CC(C)(C)[NH2+]Cc2cc(C)ccc2F)CC1 ZINC000449745548 429495160 /nfs/dbraw/zinc/49/51/60/429495160.db2.gz NTPMUPOBAKSHJM-UHFFFAOYSA-N 2 0 307.457 2.640 20 0 DFADRP C[C@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]CC2=CC[N@H+](C)CC2)CC1 ZINC000366694720 429496438 /nfs/dbraw/zinc/49/64/38/429496438.db2.gz LBICMJXPXMLRIZ-LPHOPBHVSA-N 2 0 305.510 2.881 20 0 DFADRP CC[N@@H+]1CC[C@@H]([NH+](C)CCN2CCc3ccccc32)C[C@@H]1C ZINC000428237440 429503189 /nfs/dbraw/zinc/50/31/89/429503189.db2.gz MVVFHMVCHXXQSJ-FUHWJXTLSA-N 2 0 301.478 2.854 20 0 DFADRP COC[C@@H]1CCC[N@H+](Cc2cn(-c3cc[nH+]cc3)nc2C)CC1 ZINC000449770654 429504092 /nfs/dbraw/zinc/50/40/92/429504092.db2.gz DHGHZZGLVNXWKR-MRXNPFEDSA-N 2 0 314.433 2.824 20 0 DFADRP Cc1cc(C[N@H+](C)CC2CCN(c3cc[nH+]cc3)CC2)ncn1 ZINC000428299906 429507683 /nfs/dbraw/zinc/50/76/83/429507683.db2.gz GHIVITPWYXLESX-UHFFFAOYSA-N 2 0 311.433 2.528 20 0 DFADRP Cc1nn(-c2cc[nH+]cc2)cc1CNCC[N@@H+]1CCCC1(C)C ZINC000449779725 429508512 /nfs/dbraw/zinc/50/85/12/429508512.db2.gz DUYBCZBYHVSWFM-UHFFFAOYSA-N 2 0 313.449 2.540 20 0 DFADRP CC1(C)CCC[N@@H+]1CCNC1CC[NH+](Cc2cccnc2)CC1 ZINC000449783685 429509941 /nfs/dbraw/zinc/50/99/41/429509941.db2.gz QZGLGRCXQQBHTE-UHFFFAOYSA-N 2 0 316.493 2.510 20 0 DFADRP CCC[C@H](C(=O)NC[C@@H]1CC[N@H+](C)[C@H]1c1cccs1)[NH+](C)C ZINC000367052061 429565965 /nfs/dbraw/zinc/56/59/65/429565965.db2.gz HMFUUCHJPZBINA-SQWLQELKSA-N 2 0 323.506 2.587 20 0 DFADRP CC1(C)C[C@H]([NH2+][C@H]2CCCC[C@H]2C[NH3+])c2cc(N)ccc2O1 ZINC000332190386 275869269 /nfs/dbraw/zinc/86/92/69/275869269.db2.gz CIWFSRHFFLBLTJ-RCBQFDQVSA-N 2 0 303.450 2.978 20 0 DFADRP CC1CC[NH+](Cc2ccc(NC(=O)[C@H]3CC[N@H+](C)C3)cc2)CC1 ZINC000522146593 429582131 /nfs/dbraw/zinc/58/21/31/429582131.db2.gz NIMIHQSZLANBPA-KRWDZBQOSA-N 2 0 315.461 2.809 20 0 DFADRP C[C@@H]1C[C@H]([NH2+]C[C@]2(CO)C[C@H]2c2ccc(F)cc2)CN1C1CC1 ZINC000428544704 429533953 /nfs/dbraw/zinc/53/39/53/429533953.db2.gz UHWNXKGWYQGKCS-JXIYXGQPSA-N 2 0 318.436 2.507 20 0 DFADRP CC[NH+](CC)C[C@H]1CCN(C[C@H](C)NC(=O)OC(C)(C)C)C1 ZINC000492440805 429538078 /nfs/dbraw/zinc/53/80/78/429538078.db2.gz YDWMPTNQEGBZTL-LSDHHAIUSA-N 2 0 313.486 2.563 20 0 DFADRP COc1cccc2c1ccnc2N1CC[C@H](c2nccn2C)C1 ZINC000450399864 429618248 /nfs/dbraw/zinc/61/82/48/429618248.db2.gz DYYITBVZERLFIM-ZDUSSCGKSA-N 2 0 308.385 2.971 20 0 DFADRP CC(C)n1nccc1[C@H]1OCC[C@@H]1[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000492816123 429621889 /nfs/dbraw/zinc/62/18/89/429621889.db2.gz LDFCBJQUYJOXDY-CBZIJGRNSA-N 2 0 318.465 2.510 20 0 DFADRP C[C@H](c1ccccc1)[C@H](O)C[N@@H+]1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000450454373 429629123 /nfs/dbraw/zinc/62/91/23/429629123.db2.gz OHHYSLUWVRRBSK-YVWKXTFCSA-N 2 0 316.489 2.815 20 0 DFADRP CCc1ccc2[nH+]ccc(N3CC[N@H+](C[C@H](C)O)C[C@H]3C)c2c1 ZINC000450452761 429630178 /nfs/dbraw/zinc/63/01/78/429630178.db2.gz ICFLXICAEWGFFC-CABCVRRESA-N 2 0 313.445 2.689 20 0 DFADRP C[C@@H](O)c1ncc(C[N@@H+]2CCCC3(CC[NH+](C)CC3)C2)s1 ZINC000367355902 429630554 /nfs/dbraw/zinc/63/05/54/429630554.db2.gz HVYGUEIGQSHCQI-CYBMUJFWSA-N 2 0 309.479 2.504 20 0 DFADRP CC[C@@H]1CCC[C@@H]1[NH2+]CC(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000429759783 429631024 /nfs/dbraw/zinc/63/10/24/429631024.db2.gz AOFVQZUIAJVSBN-BPQIPLTHSA-N 2 0 317.477 2.574 20 0 DFADRP CCOCC(C)(C)C[NH2+][C@H]1CCN(Cc2ccccn2)C[C@H]1C ZINC000367370018 429631509 /nfs/dbraw/zinc/63/15/09/429631509.db2.gz JWQJZXJAXNGGLU-AEFFLSMTSA-N 2 0 319.493 2.944 20 0 DFADRP CC[NH+](CC)CCO[C@@H]1CC[N@H+](C[C@@H]2CCC(F)(F)C2)C1 ZINC000450454984 429631795 /nfs/dbraw/zinc/63/17/95/429631795.db2.gz PMTJNSMGHUNWSG-HUUCEWRRSA-N 2 0 304.425 2.855 20 0 DFADRP CC[N@@H+]1CC[C@H](N(C)Cc2ccn(CC(F)(F)F)n2)[C@H](C)C1 ZINC000450574097 429651427 /nfs/dbraw/zinc/65/14/27/429651427.db2.gz ZDEDGFLMXDWESP-OCCSQVGLSA-N 2 0 318.387 2.608 20 0 DFADRP C[C@@H]1C[C@@H](C[NH2+][C@@H]2CC[N@H+](C[C@@H]3CCCO3)C[C@@H]2C)C[C@H](C)O1 ZINC000367183376 429593551 /nfs/dbraw/zinc/59/35/51/429593551.db2.gz CHIQXZXLTDAEIB-UIFYRBHJSA-N 2 0 324.509 2.669 20 0 DFADRP CN1CCC([NH+]2CCC(CC[NH2+][C@H]3CCC[C@H]4C[C@H]43)CC2)CC1 ZINC000367183501 429594081 /nfs/dbraw/zinc/59/40/81/429594081.db2.gz CFDPHKFLUJSRFN-SXLOBPIMSA-N 2 0 319.537 2.961 20 0 DFADRP CC(C)[C@@H](C(=O)NCC(C)(C)[NH+]1CCCCC1)[NH+]1CCCCC1 ZINC000523302597 429602610 /nfs/dbraw/zinc/60/26/10/429602610.db2.gz FJKAIRFQGZLYNE-KRWDZBQOSA-N 2 0 323.525 2.878 20 0 DFADRP CC(C)[C@@H](C(=O)NCCC[NH+]1CCC(C)CC1)[NH+]1CCCCC1 ZINC000354325203 275978083 /nfs/dbraw/zinc/97/80/83/275978083.db2.gz SXTAAXKATHRBGY-SFHVURJKSA-N 2 0 323.525 2.735 20 0 DFADRP C[C@@H](C(=O)NCc1ccc([C@H](C)[NH3+])cc1)[C@@H]([NH3+])c1ccccc1 ZINC000429512573 429612355 /nfs/dbraw/zinc/61/23/55/429612355.db2.gz ZGNNNIHJZQEBDC-QWQRMKEZSA-N 2 0 311.429 2.659 20 0 DFADRP C[N@H+](CC[C@@H]1CCOC1)[C@H]1CCC[NH+](CC[C@H]2CCOC2)CC1 ZINC000450613008 429660845 /nfs/dbraw/zinc/66/08/45/429660845.db2.gz LUYKAQDMQAHANE-QYZOEREBSA-N 2 0 324.509 2.626 20 0 DFADRP C[N@@H+]1CC[C@H]([NH2+]Cc2ccc(OCC3CC3)nc2)[C@@H]2CCC[C@@H]21 ZINC000367517650 429664683 /nfs/dbraw/zinc/66/46/83/429664683.db2.gz CVPGILXNHSZOEU-BZSNNMDCSA-N 2 0 315.461 2.833 20 0 DFADRP COc1ccc(OC)c(CC[NH2+][C@@H]2CC[N@H+](C)[C@@H]3CCC[C@H]32)c1 ZINC000367526032 429666411 /nfs/dbraw/zinc/66/64/11/429666411.db2.gz FTJDMFLJCNANBW-RCCFBDPRSA-N 2 0 318.461 2.709 20 0 DFADRP CCCc1ccc([C@@H](C)[NH2+][C@@H](C)CN2CC[NH+](C)CC2)cc1 ZINC000154986296 276055962 /nfs/dbraw/zinc/05/59/62/276055962.db2.gz YJAITUBZLZNRDB-DLBZAZTESA-N 2 0 303.494 2.926 20 0 DFADRP CC(C)(C)n1cc(CN2C[C@@H]3C[N@@H+]4CCCC[C@H]4[C@H]3C2)cn1 ZINC000367472164 429654420 /nfs/dbraw/zinc/65/44/20/429654420.db2.gz FOMVICBVWDDZGH-IKGGRYGDSA-N 2 0 302.466 2.554 20 0 DFADRP CC[N@H+](C)Cc1cccc(CNC(=O)C[C@H]2CCCC[C@@H]2[NH3+])c1 ZINC000295958556 276075524 /nfs/dbraw/zinc/07/55/24/276075524.db2.gz HQRKRNMWDDKUJZ-MSOLQXFVSA-N 2 0 317.477 2.662 20 0 DFADRP CC[N@H+](C)Cc1cccc(CNC(=O)C[C@@H]2CCCC[C@H]2[NH3+])c1 ZINC000295958571 276075526 /nfs/dbraw/zinc/07/55/26/276075526.db2.gz HQRKRNMWDDKUJZ-ZWKOTPCHSA-N 2 0 317.477 2.662 20 0 DFADRP CC[N@H+](C)[C@@H](C(=O)N(C)CC[C@@H]([NH3+])C(C)C)c1ccccc1 ZINC000236884602 276076325 /nfs/dbraw/zinc/07/63/25/276076325.db2.gz UIVPSVKIPWFKQB-IAGOWNOFSA-N 2 0 305.466 2.511 20 0 DFADRP CC[N@H+](CC(=O)N[C@@H](C)[C@@H](c1ccccc1C)[NH+](C)C)C1CC1 ZINC000357876106 276084438 /nfs/dbraw/zinc/08/44/38/276084438.db2.gz SKJGTSLHCIGHME-KXBFYZLASA-N 2 0 317.477 2.587 20 0 DFADRP C[C@H](c1ccccc1)[C@@H](O)C[NH+]1CCC2(CCC[N@@H+]2C)CC1 ZINC000450649999 429671199 /nfs/dbraw/zinc/67/11/99/429671199.db2.gz YHSAHRZNBGQGKZ-AEFFLSMTSA-N 2 0 302.462 2.711 20 0 DFADRP CC[NH+]1CCN([C@H]2CC[N@@H+]([C@H]3CCc4ccc(F)cc43)C2)CC1 ZINC000247401330 276201573 /nfs/dbraw/zinc/20/15/73/276201573.db2.gz XJNNYXLWTGPBCF-HKUYNNGSSA-N 2 0 317.452 2.525 20 0 DFADRP CC[N@@H+]1CC[C@H]([NH2+]CCc2ccc(NC(=O)OC)cc2)[C@@H](C)C1 ZINC000271458448 276228964 /nfs/dbraw/zinc/22/89/64/276228964.db2.gz HIENDGYYRMKMBG-YOEHRIQHSA-N 2 0 319.449 2.727 20 0 DFADRP Cc1nc2ccccc2n1CC[NH2+][C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@@H]21 ZINC000367613173 429685017 /nfs/dbraw/zinc/68/50/17/429685017.db2.gz BRUNJJWXJUIQGG-JFIYKMOQSA-N 3 0 312.461 2.807 20 0 DFADRP C[N@@H+]1CC[C@H](NCc2ccn(C3CCCC3)n2)[C@H]2CCC[C@@H]21 ZINC000367611291 429685813 /nfs/dbraw/zinc/68/58/13/429685813.db2.gz BNNZZHHCMBVJIO-SQNIBIBYSA-N 2 0 302.466 2.961 20 0 DFADRP CN(CC[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@H]21)Cc1ccc(F)cc1 ZINC000367617736 429687474 /nfs/dbraw/zinc/68/74/74/429687474.db2.gz REFKDWHUZHEHQY-OTWHNJEPSA-N 2 0 319.468 2.720 20 0 DFADRP c1[nH]nc2c1[C@H]([NH2+]CCCN1CCc3ccccc3C1)CCC2 ZINC000367619725 429687541 /nfs/dbraw/zinc/68/75/41/429687541.db2.gz PPIRFRXBGDFCHV-GOSISDBHSA-N 2 0 310.445 2.825 20 0 DFADRP CC[NH2+]CC1CC[NH+]([C@@H](C)C(=O)Nc2cc(C)ccc2C)CC1 ZINC000430555136 429691700 /nfs/dbraw/zinc/69/17/00/429691700.db2.gz RWBBSWLKNGLORL-INIZCTEOSA-N 2 0 317.477 2.952 20 0 DFADRP Cc1ccc(CC[N@@H+](C)[C@@H]2CCN(C3CC[NH+](C)CC3)C2)cc1 ZINC000367677777 429697047 /nfs/dbraw/zinc/69/70/47/429697047.db2.gz HHZCPONKWKWMGR-HXUWFJFHSA-N 2 0 315.505 2.638 20 0 DFADRP COc1ccccc1-c1nc(C[NH+]2CCC(C[NH3+])CC2)cs1 ZINC000430600857 429700314 /nfs/dbraw/zinc/70/03/14/429700314.db2.gz IOGIIMFLVFYRJL-UHFFFAOYSA-N 2 0 317.458 2.989 20 0 DFADRP Cc1cccn2c(C[N@H+]3CC[C@@H](C4CC[NH+](C)CC4)C3)cnc12 ZINC000367690010 429700708 /nfs/dbraw/zinc/70/07/08/429700708.db2.gz SVCRKISKBUCPCN-QGZVFWFLSA-N 2 0 312.461 2.806 20 0 DFADRP Fc1ccc2c(NCC[N@H+]3C[C@H]4CC[C@@H](C3)O4)cc[nH+]c2c1 ZINC000450797791 429701371 /nfs/dbraw/zinc/70/13/71/429701371.db2.gz XMSQSVUJSYIXLU-OKILXGFUSA-N 2 0 301.365 2.649 20 0 DFADRP FC(F)(F)c1cccc(OCCCN2CCC[NH2+]CC2)c1 ZINC000430634451 429703249 /nfs/dbraw/zinc/70/32/49/429703249.db2.gz RUGFTULWFLXZCF-UHFFFAOYSA-N 2 0 302.340 2.770 20 0 DFADRP [NH3+][C@@H]1CCN(CCCCOc2ccccc2C(F)(F)F)C1 ZINC000430631901 429703455 /nfs/dbraw/zinc/70/34/55/429703455.db2.gz VWDNRRPUXGHBSA-GFCCVEGCSA-N 2 0 302.340 2.897 20 0 DFADRP Cc1cccc(C(C)C)c1NC(=O)[C@H](C)N1CCC([NH3+])CC1 ZINC000430630444 429703687 /nfs/dbraw/zinc/70/36/87/429703687.db2.gz YMZIRFPZIANZGE-AWEZNQCLSA-N 2 0 303.450 2.869 20 0 DFADRP [NH3+]CC1CC[NH+](Cc2ccc(OCc3ccccn3)cc2)CC1 ZINC000430620438 429703698 /nfs/dbraw/zinc/70/36/98/429703698.db2.gz HVZDHEYCHIMAEY-UHFFFAOYSA-N 2 0 311.429 2.831 20 0 DFADRP C[N@H+](CCOc1ccc(C(F)(F)F)cc1)C1CC[NH2+]CC1 ZINC000430619424 429704175 /nfs/dbraw/zinc/70/41/75/429704175.db2.gz AVPLGTPNUPYEAG-UHFFFAOYSA-N 2 0 302.340 2.768 20 0 DFADRP C[N@H+](CCOc1ccc(OC(F)(F)F)cc1)C1CC[NH2+]CC1 ZINC000430638919 429704743 /nfs/dbraw/zinc/70/47/43/429704743.db2.gz GPJPZYGACBZQKZ-UHFFFAOYSA-N 2 0 318.339 2.648 20 0 DFADRP C[C@@H](CNC(=O)[C@@H](C)[C@@H]([NH3+])c1ccccc1)[N@@H+]1CCCC[C@H]1C ZINC000430748239 429713403 /nfs/dbraw/zinc/71/34/03/429713403.db2.gz PNUOWNIULKBGAC-MUQADHOPSA-N 2 0 317.477 2.702 20 0 DFADRP [NH3+][C@H]1CCCCCC[C@@H]1C(=O)NC1CC[NH+](C2CCCC2)CC1 ZINC000430754089 429713590 /nfs/dbraw/zinc/71/35/90/429713590.db2.gz LHUYIXRWXWZUTG-ROUUACIJSA-N 2 0 321.509 2.807 20 0 DFADRP C[C@H](CNC(=O)[C@@H]1CCCCCC[C@@H]1[NH3+])[N@@H+]1CCCC[C@H]1C ZINC000430758722 429713931 /nfs/dbraw/zinc/71/39/31/429713931.db2.gz DGGGSFQNPRKMEH-VQHPVUNQSA-N 2 0 309.498 2.663 20 0 DFADRP [NH3+][C@@H]1CCCCCC[C@H]1C(=O)N[C@H]1CC[N@H+](CC2CCCC2)C1 ZINC000430780772 429716095 /nfs/dbraw/zinc/71/60/95/429716095.db2.gz OSKVMNBUCYTFKT-RCCFBDPRSA-N 2 0 321.509 2.665 20 0 DFADRP [NH3+][C@H]1CCCCCC[C@H]1C(=O)N1CCC([NH+]2CCCCC2)CC1 ZINC000430768263 429716249 /nfs/dbraw/zinc/71/62/49/429716249.db2.gz YKOLDGDQPCBSQG-MSOLQXFVSA-N 2 0 321.509 2.761 20 0 DFADRP C[NH2+]CC1CC[NH+]([C@@H](C)C(=O)Nc2ccc(SC)cc2)CC1 ZINC000430943293 429728043 /nfs/dbraw/zinc/72/80/43/429728043.db2.gz OMHMJMOXFRWVFG-ZDUSSCGKSA-N 2 0 321.490 2.667 20 0 DFADRP C[NH2+]CC1CC[NH+]([C@H](C)C(=O)Nc2cc(C)ccc2C)CC1 ZINC000430952551 429729466 /nfs/dbraw/zinc/72/94/66/429729466.db2.gz QCUTWNCPBLPCPW-OAHLLOKOSA-N 2 0 303.450 2.562 20 0 DFADRP C[C@@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)C2([NH3+])CCCCC2)C1 ZINC000431062426 429737103 /nfs/dbraw/zinc/73/71/03/429737103.db2.gz QCTLHQKCCFCFNS-RDJZCZTQSA-N 2 0 315.461 2.600 20 0 DFADRP C[C@@H]1C[C@H]([NH+]2CCCC2)CN1CC[N@H+](C)Cc1ccccc1 ZINC000450980927 429743687 /nfs/dbraw/zinc/74/36/87/429743687.db2.gz HCRCSOWOXNMIBM-MJGOQNOKSA-N 2 0 301.478 2.677 20 0 DFADRP COCC1(C[NH2+]C2CC[NH+](C3CCCCC3)CC2)CCOCC1 ZINC000368200396 429806645 /nfs/dbraw/zinc/80/66/45/429806645.db2.gz JABLCNJQZNPDEO-UHFFFAOYSA-N 2 0 324.509 2.816 20 0 DFADRP CCOc1ccc(C[NH2+]C[C@@H]2CN(CC(C)C)CCO2)cc1F ZINC000486943459 429756109 /nfs/dbraw/zinc/75/61/09/429756109.db2.gz NDAIXNYNTOLCPA-MRXNPFEDSA-N 2 0 324.440 2.671 20 0 DFADRP c1ccc(C[NH+]2CC[C@@H]3C[N@@H+](CC4=CCCOC4)C[C@H]3C2)cc1 ZINC000367967380 429756212 /nfs/dbraw/zinc/75/62/12/429756212.db2.gz UWOOXKBWBMLTCK-WOJBJXKFSA-N 2 0 312.457 2.787 20 0 DFADRP Cc1cc(CN2C[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)ccn1 ZINC000527538232 429757649 /nfs/dbraw/zinc/75/76/49/429757649.db2.gz FNRLKOGYVZBPFL-BGYRXZFFSA-N 2 0 307.441 2.954 20 0 DFADRP CC(C)[N@@H+]1CCCC[C@H]1CN1CC[NH+]([C@@H]2C[C@@H]2C)C[C@H](C)C1 ZINC000451065875 429759243 /nfs/dbraw/zinc/75/92/43/429759243.db2.gz WAIRAKBXLKIQLN-YDZRNGNQSA-N 2 0 307.526 2.911 20 0 DFADRP CC(C)[N@@H+]1CCCC[C@H]1CN1CC[NH+]([C@H]2C[C@@H]2C)C[C@H](C)C1 ZINC000451065874 429760015 /nfs/dbraw/zinc/76/00/15/429760015.db2.gz WAIRAKBXLKIQLN-XWSJACJDSA-N 2 0 307.526 2.911 20 0 DFADRP OC1(C[NH2+][C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)CCC1 ZINC000367997816 429761811 /nfs/dbraw/zinc/76/18/11/429761811.db2.gz GLLMHZUEEBKOLF-CEXWTWQISA-N 2 0 314.473 2.792 20 0 DFADRP CC[NH+](CC)CCCC1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H]2C)CC1 ZINC000487067490 429763533 /nfs/dbraw/zinc/76/35/33/429763533.db2.gz PFOYPCQKTUKDQI-WMZOPIPTSA-N 2 0 323.525 2.545 20 0 DFADRP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@@H+]2[C@@H]1CCc2ccccc21 ZINC000368017764 429766424 /nfs/dbraw/zinc/76/64/24/429766424.db2.gz IDEBVVOVFCOFQH-OWYHZJEWSA-N 2 0 300.446 2.857 20 0 DFADRP Cc1ccncc1CCC[N@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@H]21 ZINC000368025959 429770543 /nfs/dbraw/zinc/77/05/43/429770543.db2.gz YTLOXFHJKOXOIX-IPMKNSEASA-N 2 0 317.477 2.506 20 0 DFADRP Cc1ccncc1CCC[N@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@@H]21 ZINC000368025957 429770973 /nfs/dbraw/zinc/77/09/73/429770973.db2.gz YTLOXFHJKOXOIX-GBESFXJTSA-N 2 0 317.477 2.506 20 0 DFADRP C[C@@]1(F)CCC[NH+](CCOCC[N@H+]2CCC[C@@](C)(F)C2)C1 ZINC000451116682 429771967 /nfs/dbraw/zinc/77/19/67/429771967.db2.gz SINCBJKSLDXREM-HZPDHXFCSA-N 2 0 304.425 2.651 20 0 DFADRP C[C@H]([NH2+]CC1(N2CCCCC2)CC[NH+](C)CC1)[C@@H]1C[C@H]1C1CC1 ZINC000527665515 429774925 /nfs/dbraw/zinc/77/49/25/429774925.db2.gz JIRSXVIHVFDDMT-WDSOQIARSA-N 2 0 319.537 2.961 20 0 DFADRP CN1CCN(C)[C@H](C[NH2+][C@@H]2CCC[C@@H](c3ccccc3)CC2)C1 ZINC000527658636 429775048 /nfs/dbraw/zinc/77/50/48/429775048.db2.gz XYADRJHAOTYBJC-VAMGGRTRSA-N 2 0 315.505 2.938 20 0 DFADRP C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)CC[C@@H]2CCCC[NH+]2C)C1 ZINC000431718457 429778916 /nfs/dbraw/zinc/77/89/16/429778916.db2.gz DATJMILZPSBFJN-IRXDYDNUSA-N 2 0 323.525 2.878 20 0 DFADRP C[C@H]([NH2+]Cc1ccccc1C[N@@H+]1CC[C@@H](O)C1)[C@@H]1C[C@H]1C1CC1 ZINC000527692319 429780740 /nfs/dbraw/zinc/78/07/40/429780740.db2.gz SBFFKQFNKAFFPU-WBCYEJBOSA-N 2 0 314.473 2.777 20 0 DFADRP C[C@@H](C[NH+]1CCCCC1)NC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC000431912751 429790226 /nfs/dbraw/zinc/79/02/26/429790226.db2.gz JXEYIECEAQADRK-FUHWJXTLSA-N 2 0 321.509 2.774 20 0 DFADRP c1cn(CCC[N@@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)cn1 ZINC000368130991 429794203 /nfs/dbraw/zinc/79/42/03/429794203.db2.gz IEXDMDBXHOALSG-VQTJNVASSA-N 3 0 324.472 2.727 20 0 DFADRP C[C@@H]1C[N@H+](CCC[NH2+]C[C@@H]2C[C@@H]2c2ccccc2)CCCO1 ZINC000432346352 429816411 /nfs/dbraw/zinc/81/64/11/429816411.db2.gz LGQDKPXZUDRSST-NZSAHSFTSA-N 2 0 302.462 2.881 20 0 DFADRP CSc1ccc(C[NH2+]CCC[N@@H+]2CCCO[C@@H](C)C2)cc1 ZINC000432353492 429818340 /nfs/dbraw/zinc/81/83/40/429818340.db2.gz MFRWMOZZLLPAPB-HNNXBMFYSA-N 2 0 308.491 2.999 20 0 DFADRP CCC1(CC)[C@H]([NH2+]CCC[N@@H+]2CCCO[C@@H](C)C2)C[C@@H]1OC ZINC000432413433 429821833 /nfs/dbraw/zinc/82/18/33/429821833.db2.gz MMRFYBNUMIAWTH-BBWFWOEESA-N 2 0 312.498 2.671 20 0 DFADRP C[C@H]1C[C@H]([NH2+]CCc2cccc3c2OC(F)(F)O3)CC[N@@H+]1C ZINC000527943696 429824638 /nfs/dbraw/zinc/82/46/38/429824638.db2.gz BHWPUQUYEHZGEC-WCQYABFASA-N 2 0 312.360 2.623 20 0 DFADRP C[C@H]([NH2+]CC12CC(C1)CO2)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000527977415 429829180 /nfs/dbraw/zinc/82/91/80/429829180.db2.gz FKWPDRWLNQYBGY-WEOZKBJRSA-N 2 0 300.446 2.666 20 0 DFADRP COc1ccc([C@@H](C)[NH2+]CC2COC2)cc1C[NH+]1CCCCC1 ZINC000528026204 429838304 /nfs/dbraw/zinc/83/83/04/429838304.db2.gz PVIFJRQEHKDNEH-OAHLLOKOSA-N 2 0 318.461 2.978 20 0 DFADRP COc1ccc([C@H]([NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)C2CC2)cn1 ZINC000527844518 429808697 /nfs/dbraw/zinc/80/86/97/429808697.db2.gz ZOXQHPUOTJCUDA-XYJFISCASA-N 2 0 301.434 2.758 20 0 DFADRP C[C@@H]([NH2+]Cc1ccc(CN2CC[NH+](C)CC2)cc1)[C@@H]1CC12CC2 ZINC000527848516 429809715 /nfs/dbraw/zinc/80/97/15/429809715.db2.gz KKOIUZJRQAVUEG-APWZRJJASA-N 2 0 313.489 2.712 20 0 DFADRP CC1=C[C@H](C)C[C@H](C[NH+]2CCC(C[NH+]3CCN(C)CC3)CC2)C1 ZINC000368219248 429810178 /nfs/dbraw/zinc/81/01/78/429810178.db2.gz AUVWXULWVMCVRC-PXNSSMCTSA-N 2 0 319.537 2.938 20 0 DFADRP C[N@@H+]1CC[C@@H](C[NH2+]Cc2c[nH]c3nccnc23)[C@H]1c1ccccc1 ZINC000368229057 429813832 /nfs/dbraw/zinc/81/38/32/429813832.db2.gz SOWNCOIQQPYMAT-MAUKXSAKSA-N 2 0 321.428 2.692 20 0 DFADRP CSCCCCC[NH2+][C@@H]1CC[N@H+](C[C@H]2CCCO2)C[C@@H]1C ZINC000368633103 429880670 /nfs/dbraw/zinc/88/06/70/429880670.db2.gz KULFRSITQPKKAV-GVDBMIGSSA-N 2 0 314.539 2.999 20 0 DFADRP CC[NH+](CC)C[C@@H]1CCN([C@H]2CCN(C3CCCCC3)C2=O)C1 ZINC000528398650 429884970 /nfs/dbraw/zinc/88/49/70/429884970.db2.gz XOYILWLQHILQEI-WMZOPIPTSA-N 2 0 321.509 2.584 20 0 DFADRP CCn1nc(CN2C[C@@H]3C[N@@H+]4CCCC[C@@H]4[C@@H]3C2)c2ccccc21 ZINC000368708645 429889300 /nfs/dbraw/zinc/88/93/00/429889300.db2.gz YYZFIJGHKOIZGX-SZVBFZGTSA-N 2 0 324.472 2.972 20 0 DFADRP CO[C@H](Cc1ccc(F)cc1)C[N@@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC000528520360 429896663 /nfs/dbraw/zinc/89/66/63/429896663.db2.gz WXSFXNVSMSXAMP-RTBURBONSA-N 2 0 320.452 2.801 20 0 DFADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N1CCC[C@@H](C[NH+]2CCCCC2)C1 ZINC000369021051 429907862 /nfs/dbraw/zinc/90/78/62/429907862.db2.gz GXFAIHFYTGZEQA-ZWKOTPCHSA-N 2 0 321.509 2.585 20 0 DFADRP c1cc(CCCN2CCC[N@@H+]3CCC[C@@H]3C2)cc2c1OCC2 ZINC000369154825 429916260 /nfs/dbraw/zinc/91/62/60/429916260.db2.gz WDUFKLCHMWRZDW-GOSISDBHSA-N 2 0 300.446 2.724 20 0 DFADRP [NH3+][C@@H]1CCO[C@@H](C2CC[NH+](Cc3cnc(C4CC4)s3)CC2)C1 ZINC000556963839 429923857 /nfs/dbraw/zinc/92/38/57/429923857.db2.gz LXPOWABJUWTMKZ-GDBMZVCRSA-N 2 0 321.490 2.739 20 0 DFADRP COCCOc1ccc(C[NH2+]C[C@@H]2CC[N@@H+](C(C)C)C2)cc1 ZINC000573506350 429957879 /nfs/dbraw/zinc/95/78/79/429957879.db2.gz IMRHYFLXMYOHRV-KRWDZBQOSA-N 2 0 306.450 2.532 20 0 DFADRP Cc1cc(F)ccc1C[NH+]1CCC(N2CCOC[C@@H]2C)CC1 ZINC000573504193 429958470 /nfs/dbraw/zinc/95/84/70/429958470.db2.gz XALNGEFXDGYTKX-HNNXBMFYSA-N 2 0 306.425 2.819 20 0 DFADRP COCCOc1ccc(C[NH2+]C[C@H]2CC[N@@H+](C(C)C)C2)cc1 ZINC000573506351 429959035 /nfs/dbraw/zinc/95/90/35/429959035.db2.gz IMRHYFLXMYOHRV-QGZVFWFLSA-N 2 0 306.450 2.532 20 0 DFADRP CC(C)N(CC[NH+]1CCCCCC1)C(=O)[C@H](C)Cc1c[nH]cn1 ZINC000573575788 429963418 /nfs/dbraw/zinc/96/34/18/429963418.db2.gz DCLCKQAWUDFKGQ-MRXNPFEDSA-N 2 0 320.481 2.701 20 0 DFADRP CC(C)[N@@H+](C)C[C@H](C)N[C@@H]1C[C@H](C)[NH+](Cc2ccccc2)C1 ZINC000573610545 429964498 /nfs/dbraw/zinc/96/44/98/429964498.db2.gz OJUAHVRSYWMKCF-JENIJYKNSA-N 2 0 303.494 2.968 20 0 DFADRP C[C@H](c1ccccc1)[C@H](O)C[N@@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC000639754693 429969985 /nfs/dbraw/zinc/96/99/85/429969985.db2.gz DMOVFRBBDKWXAM-SJLPKXTDSA-N 2 0 302.462 2.569 20 0 DFADRP C[NH+]1CCC2(CC[N@H+](Cc3nccn3-c3ccccc3)C2)CC1 ZINC000639754721 429971119 /nfs/dbraw/zinc/97/11/19/429971119.db2.gz DWJWEEXLNSJJST-UHFFFAOYSA-N 2 0 310.445 2.790 20 0 DFADRP CO[C@@H](C[N@@H+]1CCC2(C1)CC[NH+](C)CC2)c1ccc(F)cc1 ZINC000639756211 429971555 /nfs/dbraw/zinc/97/15/55/429971555.db2.gz RSBDPJXZGRBFFZ-KRWDZBQOSA-N 2 0 306.425 2.931 20 0 DFADRP CC(C)O[C@@H](CN1CCC[C@](O)(C[NH+](C)C)C1)c1ccccc1 ZINC000639766832 429971753 /nfs/dbraw/zinc/97/17/53/429971753.db2.gz PBRCZVJLVCJXRP-OALUTQOASA-N 2 0 320.477 2.541 20 0 DFADRP C[NH+]1CCC2(CC[N@H+](Cc3nc(-c4ccccc4)no3)C2)CC1 ZINC000639764357 429972630 /nfs/dbraw/zinc/97/26/30/429972630.db2.gz VNAFXRLNKMLRHO-UHFFFAOYSA-N 2 0 312.417 2.654 20 0 DFADRP CC(C)NC(=O)[C@@H]1CCC[C@H]([NH2+][C@@H](C)C[C@@H]2CCCCC[NH2+]2)C1 ZINC000573197748 429933037 /nfs/dbraw/zinc/93/30/37/429933037.db2.gz ZTOLGUWTWMDRRD-MHORFTMASA-N 2 0 323.525 2.970 20 0 DFADRP [NH3+]C[C@H]1CC[C@H](C[NH2+][C@H]2CCN[C@H](c3ccccc3)C2)CC1 ZINC000573305627 429942738 /nfs/dbraw/zinc/94/27/38/429942738.db2.gz FGEHQTRSAWNHHF-CAMMJAKZSA-N 3 0 301.478 2.834 20 0 DFADRP c1[nH]nc2cc(C[N@@H+]3CCCN(c4cc[nH+]cc4)CC3)ccc12 ZINC000639684521 429946840 /nfs/dbraw/zinc/94/68/40/429946840.db2.gz WAEMVLMXZBUYMS-UHFFFAOYSA-N 2 0 307.401 2.670 20 0 DFADRP [NH3+]C[C@@H]1CC[C@@H](Nc2cc(N3CCc4ccccc43)ncn2)C1 ZINC000573823847 429986400 /nfs/dbraw/zinc/98/64/00/429986400.db2.gz HLSCWENCRBVVBY-UKRRQHHQSA-N 2 0 309.417 2.710 20 0 DFADRP COc1ccc(CC[NH2+][C@H]2CCC[C@@H]([NH3+])C2)cc1OC(F)F ZINC000573458928 429954323 /nfs/dbraw/zinc/95/43/23/429954323.db2.gz KOYXYZACOYSQSX-OLZOCXBDSA-N 2 0 314.376 2.699 20 0 DFADRP [NH3+]CCC1CC[NH+](Cc2nn(-c3ccccc3)c3c2CCC3)CC1 ZINC000574332485 430032665 /nfs/dbraw/zinc/03/26/65/430032665.db2.gz RHSYKSAANIMSGU-UHFFFAOYSA-N 2 0 324.472 2.922 20 0 DFADRP C[NH+](C)CCCC1CC[NH+]([C@@H]2Cc3ccccc3[C@H]2O)CC1 ZINC000272041451 276783378 /nfs/dbraw/zinc/78/33/78/276783378.db2.gz OREJRDUXAOHRMK-RTBURBONSA-N 2 0 302.462 2.699 20 0 DFADRP C[NH+](C)[C@@H]1CCc2cc(NC(=O)N[C@@H]3CCCC[C@H]3[NH3+])ccc21 ZINC000332595497 276786160 /nfs/dbraw/zinc/78/61/60/276786160.db2.gz NEHSNALXYPWMFM-BRWVUGGUSA-N 2 0 316.449 2.627 20 0 DFADRP Cc1ccncc1CCC[N@@H+]1CCC[C@@H](N2CCOCC2)CC1 ZINC000574465604 430046150 /nfs/dbraw/zinc/04/61/50/430046150.db2.gz MCZHJPGZKAIQMT-LJQANCHMSA-N 2 0 317.477 2.509 20 0 DFADRP CCC1([NH+]2CCCC2)CCN(CCO[C@H]2CCCCO2)CC1 ZINC000639987242 430046428 /nfs/dbraw/zinc/04/64/28/430046428.db2.gz ZJGBPJGHKJSXDW-KRWDZBQOSA-N 2 0 310.482 2.870 20 0 DFADRP CC1(C)CCC[C@@H]([NH2+]CCC[N@@H+]2CCC[C@@H](C(N)=O)C2)CC1 ZINC000573935421 429996660 /nfs/dbraw/zinc/99/66/60/429996660.db2.gz FNIUHEKYKTULRO-HZPDHXFCSA-N 2 0 309.498 2.522 20 0 DFADRP CC[NH+](CC)[C@H](CNC(=O)C[N@@H+]1CCC(C)(C)C1)c1ccco1 ZINC000560097508 430021347 /nfs/dbraw/zinc/02/13/47/430021347.db2.gz NGNDCXCAUVIXHC-OAHLLOKOSA-N 2 0 321.465 2.511 20 0 DFADRP C[C@H]([NH2+][C@@H](CN1CC[NH+](C)CC1)c1ccccc1)[C@@H]1CC1(C)C ZINC000574254770 430024449 /nfs/dbraw/zinc/02/44/49/430024449.db2.gz MSEREDBHKOLWKY-WDSOQIARSA-N 2 0 315.505 2.999 20 0 DFADRP C[NH+](C)[C@H](CNC(=O)C[C@H]([NH3+])c1ccccc1)c1cccs1 ZINC000237192992 276853488 /nfs/dbraw/zinc/85/34/88/276853488.db2.gz QASMMGJIEUMYMG-LSDHHAIUSA-N 2 0 317.458 2.557 20 0 DFADRP CC1(C)C[NH2+]CC[C@H](N[C@H]2CC[NH2+][C@H](c3ccccc3)C2)C1 ZINC000634734071 430094104 /nfs/dbraw/zinc/09/41/04/430094104.db2.gz WECLZCAXNMWFEO-BZSNNMDCSA-N 3 0 301.478 2.848 20 0 DFADRP CC1(C)C[NH2+]CC[C@H]([NH2+]Cc2cnn(Cc3ccccc3)c2)C1 ZINC000634732569 430094176 /nfs/dbraw/zinc/09/41/76/430094176.db2.gz JIEDZQORMNWDKB-SFHVURJKSA-N 2 0 312.461 2.799 20 0 DFADRP COc1cc(C[NH2+][C@@H]2CC[NH2+]CC(C)(C)C2)cc(OC)c1OC ZINC000634732474 430094270 /nfs/dbraw/zinc/09/42/70/430094270.db2.gz HJWIYWCQZJFIMW-CQSZACIVSA-N 2 0 322.449 2.580 20 0 DFADRP C[C@H](NCc1ccncc1OCCC[NH+](C)C)c1ccoc1 ZINC000561785859 430098920 /nfs/dbraw/zinc/09/89/20/430098920.db2.gz RDQPONUIAGWNDE-AWEZNQCLSA-N 2 0 303.406 2.856 20 0 DFADRP C[C@@H]1CCCC[C@@H]1[NH+]1CCC(N[C@@H]2CC[NH2+]C23CCC3)CC1 ZINC000530179931 430101943 /nfs/dbraw/zinc/10/19/43/430101943.db2.gz YZRBRLLGQKELCC-BPQIPLTHSA-N 2 0 305.510 2.904 20 0 DFADRP CC(C)(C)c1ncc2c(n1)CC[N@@H+](CC[C@H]1CCC[NH2+]C1)C2 ZINC000530225257 430104880 /nfs/dbraw/zinc/10/48/80/430104880.db2.gz UYQZJJTWWQRHKM-CQSZACIVSA-N 2 0 302.466 2.522 20 0 DFADRP COc1ccc(C[C@H](C)C[NH2+][C@H]2CC[NH2+]C23CCC3)cc1F ZINC000530245121 430107782 /nfs/dbraw/zinc/10/77/82/430107782.db2.gz UMZNCTGMTUEZLF-GUYCJALGSA-N 2 0 306.425 2.887 20 0 DFADRP CCc1cccc(C[NH+]2CCC(CO[C@@H]3CC[NH2+]C3)CC2)c1 ZINC000530239348 430108075 /nfs/dbraw/zinc/10/80/75/430108075.db2.gz FIDXLIGOPDELPK-LJQANCHMSA-N 2 0 302.462 2.840 20 0 DFADRP C[C@H]([NH2+]C1CCN(c2cc[nH+]cc2)CC1)c1ncccc1F ZINC000529689616 430051987 /nfs/dbraw/zinc/05/19/87/430051987.db2.gz PMCLPOVMHZUJBY-ZDUSSCGKSA-N 2 0 300.381 2.935 20 0 DFADRP CC(C)[N@@H+]1CC[C@@H](CNC(=O)C[C@H](c2ccccc2)[NH+](C)C)C1 ZINC000561074575 430074928 /nfs/dbraw/zinc/07/49/28/430074928.db2.gz UVEATJRAGJRSNM-FUHWJXTLSA-N 2 0 317.477 2.526 20 0 DFADRP CC(C)[C@H]([NH2+]CCOCC[NH+](C)C)c1ccc(F)cc1F ZINC000634683334 430075714 /nfs/dbraw/zinc/07/57/14/430075714.db2.gz OYSXQJFUYQSINR-INIZCTEOSA-N 2 0 300.393 2.830 20 0 DFADRP [NH3+][C@@H]1CCO[C@H]1C1CC[NH+](Cc2cccc3ncccc23)CC1 ZINC000634687842 430077588 /nfs/dbraw/zinc/07/75/88/430077588.db2.gz AYGDSLHAQFEJHX-MJGOQNOKSA-N 2 0 311.429 2.563 20 0 DFADRP CC(C)(C)[NH+]1CCC([NH2+]CCn2ccc(C(F)(F)F)n2)CC1 ZINC000634687472 430077682 /nfs/dbraw/zinc/07/76/82/430077682.db2.gz MCEDRWARVGINFU-UHFFFAOYSA-N 2 0 318.387 2.754 20 0 DFADRP COc1ccc(CCC[NH2+][C@@H](C)[C@H]2CCC[NH2+]C2)cc1OC ZINC000562747980 430176657 /nfs/dbraw/zinc/17/66/57/430176657.db2.gz DQSVQSRGVRJBIC-HOCLYGCPSA-N 2 0 306.450 2.614 20 0 DFADRP CCC[N@H+](CC)C[C@@H](C)NC(=O)CC[NH+](C)C1CCCCC1 ZINC000562348638 430122690 /nfs/dbraw/zinc/12/26/90/430122690.db2.gz SEYMRAATTPDSBQ-MRXNPFEDSA-N 2 0 311.514 2.878 20 0 DFADRP CCn1c2ccccc2nc1CN1CCC[C@@H]([NH+](C)C)CC1 ZINC000562411110 430129663 /nfs/dbraw/zinc/12/96/63/430129663.db2.gz GHNHSJAUUJRBOJ-OAHLLOKOSA-N 2 0 300.450 2.972 20 0 DFADRP [NH3+]Cc1ccc(CNC(=O)CC[C@H]([NH3+])CC2CCCCC2)cc1 ZINC000580553869 430133856 /nfs/dbraw/zinc/13/38/56/430133856.db2.gz LKXHGQZQIOKFHD-SFHVURJKSA-N 2 0 317.477 2.839 20 0 DFADRP C[C@H]([NH2+][C@@H]1CCC[NH2+]CC1)c1ccc(NC(=O)C2CC2)cc1 ZINC000580550469 430134001 /nfs/dbraw/zinc/13/40/01/430134001.db2.gz HJRFMHLGUZQMIP-XJKSGUPXSA-N 2 0 301.434 2.828 20 0 DFADRP Cc1cc(C[NH3+])oc1C(=O)NC[C@H]([NH3+])c1ccc(C(C)C)cc1 ZINC000637830985 430139740 /nfs/dbraw/zinc/13/97/40/430139740.db2.gz LVILMZXVSOWMQY-INIZCTEOSA-N 2 0 315.417 2.600 20 0 DFADRP Cc1cccc(NC(=O)C[C@H](C)[NH2+]C[C@@]2(C)CCC[NH2+]C2)c1 ZINC000580639002 430140530 /nfs/dbraw/zinc/14/05/30/430140530.db2.gz AIOOGUYNPNFODR-YJBOKZPZSA-N 2 0 303.450 2.691 20 0 DFADRP Fc1ccc2oc(C[NH2+]CC3CC[NH+](C4CC4)CC3)nc2c1 ZINC000634978984 430181808 /nfs/dbraw/zinc/18/18/08/430181808.db2.gz SASUWTPIKSUSHB-UHFFFAOYSA-N 2 0 303.381 2.931 20 0 DFADRP C[NH+]1CCC(N2CC[C@H]([NH2+][C@@H]3CCCc4sccc43)C2)CC1 ZINC000370638885 277029160 /nfs/dbraw/zinc/02/91/60/277029160.db2.gz ZZJCFEBCAFABLZ-WMLDXEAASA-N 2 0 319.518 2.884 20 0 DFADRP Cc1cc(C)cc(OC[C@H](O)C[NH2+][C@@H]2CCC[C@@H]([NH+](C)C)C2)c1 ZINC000581185773 430186049 /nfs/dbraw/zinc/18/60/49/430186049.db2.gz GWQOPSWUXBXVEQ-KZNAEPCWSA-N 2 0 320.477 2.506 20 0 DFADRP C[N@@H+](Cc1ccccc1)CC1CCN(CC23CC(C2)C[NH2+]3)CC1 ZINC000634992196 430186225 /nfs/dbraw/zinc/18/62/25/430186225.db2.gz HTPFRCIGDAFGTA-UHFFFAOYSA-N 2 0 313.489 2.582 20 0 DFADRP Cc1c([C@@H](C)[NH2+]CC2CC[NH2+]CC2)nnn1-c1ccc(C)cc1 ZINC000581185026 430186492 /nfs/dbraw/zinc/18/64/92/430186492.db2.gz CWUKEOCORWVJKT-CQSZACIVSA-N 2 0 313.449 2.534 20 0 DFADRP C[N@@H+]1CCC[C@@H]1CC[NH+]1C[C@H](c2ccccc2)[C@H]2COCC[C@H]21 ZINC000285965780 277061812 /nfs/dbraw/zinc/06/18/12/277061812.db2.gz NHMZVRORXZWFRX-UAFMIMERSA-N 2 0 314.473 2.975 20 0 DFADRP COC(=O)C[C@@H]1CC[C@@H]([NH2+]C2CC[NH+](CC(C)C)CC2)[C@@H]1C ZINC000353923789 277065142 /nfs/dbraw/zinc/06/51/42/277065142.db2.gz ARBKJPTXUGNVLG-HLLBOEOZSA-N 2 0 310.482 2.674 20 0 DFADRP Cc1ccccc1NC(=O)C[C@@H](C)[NH2+][C@H]1CC[C@H](C[NH3+])CC1 ZINC000635006883 430194787 /nfs/dbraw/zinc/19/47/87/430194787.db2.gz OJUAXFBHADDVFW-BZUAXINKSA-N 2 0 303.450 2.819 20 0 DFADRP CC(=O)Oc1ccc(C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)cc1 ZINC000139995152 277094474 /nfs/dbraw/zinc/09/44/74/277094474.db2.gz WTPUJORLTWSHOP-SJLPKXTDSA-N 2 0 302.418 2.528 20 0 DFADRP Cc1nn(Cc2ccccc2)c(C)c1C[N@H+]1C[C@H](C)[C@@H](C[NH3+])C1 ZINC000634999243 430190348 /nfs/dbraw/zinc/19/03/48/430190348.db2.gz RLGFVUYDXYYXRY-KSSFIOAISA-N 2 0 312.461 2.575 20 0 DFADRP CC(C)C[C@@H](C[NH+]1CCC([NH2+]CCO)CC1)c1ccccc1 ZINC000635002258 430191309 /nfs/dbraw/zinc/19/13/09/430191309.db2.gz MPHKPOVXOMTCRD-SFHVURJKSA-N 2 0 304.478 2.863 20 0 DFADRP CCC[C@H](C)NC(=O)[C@H](C)[N@H+](C)CCCC[NH+]1CCCCC1 ZINC000640530171 430191846 /nfs/dbraw/zinc/19/18/46/430191846.db2.gz AJAVMHSVGVVRRY-IRXDYDNUSA-N 2 0 311.514 2.878 20 0 DFADRP C[N@H+](CCCC[NH+]1CCCCC1)C[C@@H](O)Cc1ccccc1 ZINC000640532943 430192076 /nfs/dbraw/zinc/19/20/76/430192076.db2.gz LOTYIMMPWDNQCT-IBGZPJMESA-N 2 0 304.478 2.788 20 0 DFADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C[NH2+][C@H]1CC[NH2+]CC[C@@H]1C ZINC000635003825 430192112 /nfs/dbraw/zinc/19/21/12/430192112.db2.gz LYSPIOKNCOGVFH-HNJRGHQBSA-N 3 0 315.505 2.732 20 0 DFADRP CC[C@H](NC[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C)[C@@H]1CCC[NH2+]1 ZINC000635003757 430192423 /nfs/dbraw/zinc/19/24/23/430192423.db2.gz LIERFKPBDUBMAV-RNQOJCNYSA-N 2 0 315.505 2.875 20 0 DFADRP Cc1noc(C2CCC([NH2+][C@H]3CC[NH2+]CC(C)(C)C3)CC2)n1 ZINC000635007782 430193282 /nfs/dbraw/zinc/19/32/82/430193282.db2.gz BJCHYBBWBZAWKU-NRXISQOPSA-N 2 0 306.454 2.772 20 0 DFADRP CC1(C)[C@H]([NH2+]CC[C@H]([NH3+])Cc2ccccc2)[C@@H]2CCCO[C@H]21 ZINC000635006886 430193532 /nfs/dbraw/zinc/19/35/32/430193532.db2.gz NCAXNFCYAILWTF-WNRNVDISSA-N 2 0 302.462 2.740 20 0 DFADRP C[C@@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]Cc1cccc2c1CC[NH2+]C2 ZINC000635006096 430193909 /nfs/dbraw/zinc/19/39/09/430193909.db2.gz XLSAUZYLLUMSCT-YJBOKZPZSA-N 3 0 301.478 2.733 20 0 DFADRP CCc1cc(N[C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)nc(C)n1 ZINC000542019064 430200895 /nfs/dbraw/zinc/20/08/95/430200895.db2.gz FFDBYDDLUFSIRI-UKRRQHHQSA-N 2 0 302.466 3.412 20 0 DFADRP COC1(C[NH2+][C@@H]2CC[N@H+](C[C@H]3CCCO3)C[C@@H]2C)CCCCC1 ZINC000372486110 277187855 /nfs/dbraw/zinc/18/78/55/277187855.db2.gz HGDGWANMKOHOKH-RCCFBDPRSA-N 2 0 324.509 2.815 20 0 DFADRP COC1(C[NH2+][C@@H]2CC[N@H+](C[C@H]3CCCO3)C[C@H]2C)CCCCC1 ZINC000372486107 277187924 /nfs/dbraw/zinc/18/79/24/277187924.db2.gz HGDGWANMKOHOKH-KZNAEPCWSA-N 2 0 324.509 2.815 20 0 DFADRP C[C@@H](CC(=O)N(C)c1ccccc1)[NH2+][C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000635012329 430195159 /nfs/dbraw/zinc/19/51/59/430195159.db2.gz SNLDIYSROGIAPO-JKSUJKDBSA-N 2 0 317.477 2.796 20 0 DFADRP C[C@H]([NH2+]Cc1cccc2c1CC[NH2+]C2)c1ccc2c(c1)OCCO2 ZINC000635010464 430195547 /nfs/dbraw/zinc/19/55/47/430195547.db2.gz LWEBGFRXSKNWHO-AWEZNQCLSA-N 2 0 324.424 2.954 20 0 DFADRP C[C@H]([NH2+][C@@H]1CC[NH2+]CC(C)(C)C1)c1cccc(-n2ccnn2)c1 ZINC000635011801 430195559 /nfs/dbraw/zinc/19/55/59/430195559.db2.gz PFJJEUDCXMWERJ-GOEBONIOSA-N 2 0 313.449 2.696 20 0 DFADRP c1cc2n(n1)CCC[C@H]2[NH2+][C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000635012503 430195798 /nfs/dbraw/zinc/19/57/98/430195798.db2.gz MULDYFMPUCLRFD-GPMSIDNRSA-N 2 0 324.428 2.564 20 0 DFADRP Cc1ccc(CN2CC[C@H]([NH2+][C@H](C)[C@@H]3CCC[NH2+]C3)C2)cc1 ZINC000635010794 430195917 /nfs/dbraw/zinc/19/59/17/430195917.db2.gz BJLNDSAKKLPQPG-QRQLOZEOSA-N 2 0 301.478 2.547 20 0 DFADRP COc1ccsc1[C@H](C)Nc1cc(N2CC[NH2+]CC2)cc[nH+]1 ZINC000635008450 430196366 /nfs/dbraw/zinc/19/63/66/430196366.db2.gz JWMLKYHCIUVDHO-LBPRGKRZSA-N 2 0 318.446 2.734 20 0 DFADRP Fc1ccc2c(c1)CC[C@@H]2Nc1cc(N2CC[NH2+]CC2)cc[nH+]1 ZINC000635011068 430196461 /nfs/dbraw/zinc/19/64/61/430196461.db2.gz XFUHJBPIVNRGPG-KRWDZBQOSA-N 2 0 312.392 2.730 20 0 DFADRP CC(C)[C@H](Nc1cc(N2CC[NH2+]CC2)cc[nH+]1)c1cccnc1 ZINC000635010785 430196569 /nfs/dbraw/zinc/19/65/69/430196569.db2.gz VMSVTQJWTWVQQL-SFHVURJKSA-N 2 0 311.433 2.695 20 0 DFADRP CC(C)C1(C[NH+]2CCN(CC[NH+]3[C@H](C)CC[C@H]3C)CC2)CC1 ZINC000637985420 430196843 /nfs/dbraw/zinc/19/68/43/430196843.db2.gz QVAOSLJBBMRTCD-QZTJIDSGSA-N 2 0 307.526 2.913 20 0 DFADRP Cc1ccc(CN2CC[C@H]([NH2+][C@@H]3CCCCC[C@@H]3[NH3+])C2)cc1 ZINC000635013011 430198681 /nfs/dbraw/zinc/19/86/81/430198681.db2.gz PVLLVDRAGONFQS-GBESFXJTSA-N 2 0 301.478 2.819 20 0 DFADRP C[C@@H]([NH2+]C[C@@H]1CCO[C@H]1c1ccc(F)cc1)[C@@H]1CCC[NH2+]C1 ZINC000635013779 430198876 /nfs/dbraw/zinc/19/88/76/430198876.db2.gz VRRNARPRVMLPGG-KBEGMRNHSA-N 2 0 306.425 2.881 20 0 DFADRP Cc1cc(C[NH+](C)C)cc(NC(=O)[C@H]2C[NH2+]Cc3ccccc32)c1 ZINC000581546894 430218920 /nfs/dbraw/zinc/21/89/20/430218920.db2.gz MYBCAHVTWGDWKF-IBGZPJMESA-N 2 0 323.440 2.882 20 0 DFADRP C[N@H+](CCO)C1CCN(Cc2ccc(F)c3ccccc23)CC1 ZINC000638047531 430218908 /nfs/dbraw/zinc/21/89/08/430218908.db2.gz PHMAUEBLVHHTNF-UHFFFAOYSA-N 2 0 316.420 2.867 20 0 DFADRP CC(C)CCNC(=[NH2+])NC[C@@H]1CC[N@H+](C)[C@@H]1c1cccs1 ZINC000370160095 277354945 /nfs/dbraw/zinc/35/49/45/277354945.db2.gz FODIYWQVMLDTER-ZFWWWQNUSA-N 2 0 308.495 2.901 20 0 DFADRP CC[NH2+][C@H](C)C(=O)NCc1ccccc1C[N@@H+]1CCCC[C@@H]1C ZINC000638062986 430222945 /nfs/dbraw/zinc/22/29/45/430222945.db2.gz KVRVPGQFEFBJCZ-JKSUJKDBSA-N 2 0 317.477 2.675 20 0 DFADRP CC[NH2+][C@H](C)C(=O)Nc1ccc(C[NH+]2CCC(C)CC2)cc1 ZINC000638064772 430224715 /nfs/dbraw/zinc/22/47/15/430224715.db2.gz WPWXFGYQSCKSJX-OAHLLOKOSA-N 2 0 303.450 2.855 20 0 DFADRP CC(C)C[N@@H+]1CCC[C@@H](C[NH2+][C@H]2[C@H]3CCO[C@H]3C23CCC3)C1 ZINC000248818318 277392256 /nfs/dbraw/zinc/39/22/56/277392256.db2.gz VKJGFHHWQLKSBM-XWTMOSNGSA-N 2 0 306.494 2.902 20 0 DFADRP CC(C)C[N@@H+]1CCC[C@H](C[NH2+][C@@H]2[C@H]3CCO[C@H]3C23CCC3)C1 ZINC000194118845 277397164 /nfs/dbraw/zinc/39/71/64/277397164.db2.gz VKJGFHHWQLKSBM-BRSBDYLESA-N 2 0 306.494 2.902 20 0 DFADRP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+](C)C[C@@H]1CCCC[C@H]1O ZINC000542484974 430213034 /nfs/dbraw/zinc/21/30/34/430213034.db2.gz CNOWGCBILMJPCX-MAUKXSAKSA-N 2 0 314.433 2.559 20 0 DFADRP CC[NH+](CC)[C@@H](CNC(=O)C[C@H]1CC[N@H+](C)C1)c1ccsc1 ZINC000635280745 430244047 /nfs/dbraw/zinc/24/40/47/430244047.db2.gz WCCHVEACPSOMAT-ZBFHGGJFSA-N 2 0 323.506 2.589 20 0 DFADRP CC[NH+](CC)[C@@H](CNC(=O)C[C@@H]1CC[N@H+](C)C1)c1ccsc1 ZINC000635280744 430245012 /nfs/dbraw/zinc/24/50/12/430245012.db2.gz WCCHVEACPSOMAT-HOCLYGCPSA-N 2 0 323.506 2.589 20 0 DFADRP CC[NH+](CC)Cc1ccc(C(=O)N[C@H](C)C[N@H+](C)C(C)C)o1 ZINC000640727137 430247971 /nfs/dbraw/zinc/24/79/71/430247971.db2.gz JYVAUOKKEYVAFO-CQSZACIVSA-N 2 0 309.454 2.580 20 0 DFADRP Cc1scc(C[N@@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@H](C)C2)c1C ZINC000638138205 430248049 /nfs/dbraw/zinc/24/80/49/430248049.db2.gz XTRCUQUAZQPOFX-KDOFPFPSSA-N 2 0 321.534 2.823 20 0 DFADRP Cc1scc(C[N@@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@@H](C)C2)c1C ZINC000638138206 430249395 /nfs/dbraw/zinc/24/93/95/430249395.db2.gz XTRCUQUAZQPOFX-KSSFIOAISA-N 2 0 321.534 2.823 20 0 DFADRP CCN(C)c1ccc(CN2CCCC[C@@H]2[C@@H]2CCC[NH2+]2)cn1 ZINC000566225477 430249714 /nfs/dbraw/zinc/24/97/14/430249714.db2.gz QBGIFVNAQOMIKK-DLBZAZTESA-N 2 0 302.466 2.644 20 0 DFADRP Cc1c(F)cccc1NC(=O)CC[NH2+]C[C@H](C)C[NH+]1CCCC1 ZINC000581938577 430251759 /nfs/dbraw/zinc/25/17/59/430251759.db2.gz JXKHWLNGUMOMNR-AWEZNQCLSA-N 2 0 321.440 2.784 20 0 DFADRP C[C@H]1CCC[N@H+](CCCCNC(=O)[C@@H]2CC[NH+]2C2CCCC2)C1 ZINC000635326088 430256161 /nfs/dbraw/zinc/25/61/61/430256161.db2.gz UFRZUOCYGXLTBQ-WMZOPIPTSA-N 2 0 321.509 2.632 20 0 DFADRP CC[N@H+](C)C[C@@H](O)CN[C@@H](CC(F)(F)F)c1ccccc1 ZINC000566417314 430258731 /nfs/dbraw/zinc/25/87/31/430258731.db2.gz XFXIZOYSJUOCPE-KBPBESRZSA-N 2 0 304.356 2.582 20 0 DFADRP [NH3+]Cc1ccc(NC(=O)[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000638174176 430262824 /nfs/dbraw/zinc/26/28/24/430262824.db2.gz KTTDYVRWSGPNMZ-QGZVFWFLSA-N 2 0 309.413 2.606 20 0 DFADRP [NH3+][C@@H]1CCC[C@H]([NH2+]CCOc2ccc(C(F)(F)F)cc2)C1 ZINC000566483873 430266633 /nfs/dbraw/zinc/26/66/33/430266633.db2.gz XNZWPWXBKUJKAA-OLZOCXBDSA-N 2 0 302.340 2.944 20 0 DFADRP C[NH2+]Cc1ccc(NC(=O)[C@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000638254412 430285399 /nfs/dbraw/zinc/28/53/99/430285399.db2.gz FLOWWUGHNOSLQL-SFHVURJKSA-N 2 0 323.440 2.867 20 0 DFADRP [NH3+][C@@H]1CCC[C@H]([NH2+]CCc2cc(Cl)c3c(c2)OCCO3)C1 ZINC000567179970 430279800 /nfs/dbraw/zinc/27/98/00/430279800.db2.gz ZWHLHWXWPUMAFV-OLZOCXBDSA-N 2 0 310.825 2.513 20 0 DFADRP CC[NH2+][C@H](C)C(=O)NCc1cccc(C[NH+]2CCCCCC2)c1 ZINC000638086789 430229775 /nfs/dbraw/zinc/22/97/75/430229775.db2.gz WVNQMLMXYRLVCR-MRXNPFEDSA-N 2 0 317.477 2.677 20 0 DFADRP CCCC[NH+]1CCC([NH2+]C[C@H](O)Cc2ccc(F)cc2)CC1 ZINC000565887488 430231809 /nfs/dbraw/zinc/23/18/09/430231809.db2.gz SIJWPGVCTXTKGJ-GOSISDBHSA-N 2 0 308.441 2.583 20 0 DFADRP Cc1cc(C[NH3+])oc1C(=O)Nc1ccc(C)cc1C[NH+](C)C ZINC000638114646 430239021 /nfs/dbraw/zinc/23/90/21/430239021.db2.gz BTBLJRSMAKVQHJ-UHFFFAOYSA-N 2 0 301.390 2.669 20 0 DFADRP C[NH2+]C[C@H](C)C(=O)NC[C@@H](CC(C)C)[NH2+][C@H](C)c1ccccc1 ZINC000567802259 430289292 /nfs/dbraw/zinc/28/92/92/430289292.db2.gz PVGBFTUPGUCEGV-LZLYRXPVSA-N 2 0 319.493 2.724 20 0 DFADRP C[C@@H]1CN(CCC[NH2+]Cc2cc3ccccc3n2C)C[C@H](C)O1 ZINC000638318607 430303260 /nfs/dbraw/zinc/30/32/60/430303260.db2.gz MCXLVPNBYPHSMB-IYBDPMFKSA-N 2 0 315.461 2.767 20 0 DFADRP COc1cc(C[NH+]2CCC(CC[NH3+])CC2)c(SC)cc1OC ZINC000568007661 430303299 /nfs/dbraw/zinc/30/32/99/430303299.db2.gz VSXWUIZRULDQET-UHFFFAOYSA-N 2 0 324.490 2.987 20 0 DFADRP [NH3+]C1C[C@H]2CCC[C@@H](C1)C2[NH2+]Cc1ccc(-n2cccn2)cc1 ZINC000568367424 430350531 /nfs/dbraw/zinc/35/05/31/430350531.db2.gz PKHWNFKAZWCRSI-GIOYIUAESA-N 2 0 310.445 2.868 20 0 DFADRP C[C@H](CC(=O)N(C)[C@H](c1ncc[nH]1)c1ccccc1)n1ccnc1 ZINC000568045130 430309638 /nfs/dbraw/zinc/30/96/38/430309638.db2.gz NPEJXOJQZBCCOR-PBHICJAKSA-N 2 0 323.400 2.805 20 0 DFADRP CC[NH+](CC)Cc1ccccc1C[NH2+]C[C@H](O)CC(F)(F)F ZINC000568077368 430314987 /nfs/dbraw/zinc/31/49/87/430314987.db2.gz ORFDLRYLGWYIOP-OAHLLOKOSA-N 2 0 318.383 2.931 20 0 DFADRP CCCC(=O)Nc1ccc(C[NH2+][C@H](C)[C@@H]2CCC[NH2+]C2)cc1 ZINC000582600359 430315842 /nfs/dbraw/zinc/31/58/42/430315842.db2.gz XAEDVHSRWNINHY-GDBMZVCRSA-N 2 0 303.450 2.903 20 0 DFADRP CCN1CC[NH+](CCCC[NH2+]CCc2ccc(C)cc2)CC1 ZINC000638360866 430316351 /nfs/dbraw/zinc/31/63/51/430316351.db2.gz WBSKIZSXZZJHEX-UHFFFAOYSA-N 2 0 303.494 2.545 20 0 DFADRP O=C([C@@H]1C[C@H]1c1c[nH]cn1)N(CC[NH+]1CCCC1)c1ccccc1 ZINC000635596169 430317748 /nfs/dbraw/zinc/31/77/48/430317748.db2.gz RGYFUYKXZZAXFZ-IAGOWNOFSA-N 2 0 324.428 2.642 20 0 DFADRP [NH3+][C@H]1CCC[C@@H]([NH2+]CCOc2cccc(Br)c2)C1 ZINC000568107715 430318389 /nfs/dbraw/zinc/31/83/89/430318389.db2.gz WITLKWXOMNZXTP-QWHCGFSZSA-N 2 0 313.239 2.687 20 0 DFADRP CCO[C@@H]1C[C@@H]([NH2+]CCCC[N@@H+]2CCCC[C@@H]2C)[C@]12CCCO2 ZINC000638365459 430318805 /nfs/dbraw/zinc/31/88/05/430318805.db2.gz DGBPGHOIYXVYJH-WJFTUGDTSA-N 2 0 324.509 2.957 20 0 DFADRP COc1cc(C[NH2+]CCCC[N@H+]2C[C@H](C)C[C@H](C)C2)sn1 ZINC000638372525 430320351 /nfs/dbraw/zinc/32/03/51/430320351.db2.gz XFOSXDAQDDFMEY-OKILXGFUSA-N 2 0 311.495 2.999 20 0 DFADRP C[C@@H]1C[C@@H](C)C[NH+](CCCC[NH2+]Cc2c[nH]c3ncncc23)C1 ZINC000638372691 430320650 /nfs/dbraw/zinc/32/06/50/430320650.db2.gz YGSGSDKFRXVVLU-HUUCEWRRSA-N 2 0 315.465 2.757 20 0 DFADRP CC(C)O[C@H](C[NH2+]CCCC[NH+]1CCOCC1)c1ccccc1 ZINC000638369786 430320727 /nfs/dbraw/zinc/32/07/27/430320727.db2.gz FRNWWVSTSGUFSH-LJQANCHMSA-N 2 0 320.477 2.855 20 0 DFADRP [NH3+][C@@H]1C[C@@H]([NH2+][C@H]2CCN(c3ncccc3F)C2)c2ccccc21 ZINC000582660034 430321084 /nfs/dbraw/zinc/32/10/84/430321084.db2.gz KYOBLXKQGAFYCG-JCURWCKSSA-N 2 0 312.392 2.534 20 0 DFADRP C[C@H]1CCCC[N@@H+]1CCC1CCN(C(=O)C2=CC[C@H]([NH3+])C2)CC1 ZINC000638378960 430323142 /nfs/dbraw/zinc/32/31/42/430323142.db2.gz UJFWXXRYEBYMJU-YJBOKZPZSA-N 2 0 319.493 2.537 20 0 DFADRP CSC[C@@H](O)C[NH2+]Cc1ccccc1C[NH+]1CCC(C)CC1 ZINC000582959645 430350974 /nfs/dbraw/zinc/35/09/74/430350974.db2.gz HISUSFOFRFRSHN-SFHVURJKSA-N 2 0 322.518 2.732 20 0 DFADRP C[C@H](CCc1n[nH]c2ccccc21)[NH2+]CC1(C)CC[NH2+]CC1 ZINC000568222021 430334050 /nfs/dbraw/zinc/33/40/50/430334050.db2.gz PCHXDXDKQYBTLX-CQSZACIVSA-N 2 0 300.450 2.863 20 0 DFADRP CCC[C@H](C[NH2+]Cc1cccc(CN2CCO[C@@H](C)C2)c1)OC ZINC000638421412 430338084 /nfs/dbraw/zinc/33/80/84/430338084.db2.gz VFKHAYDIFPIGEL-QFBILLFUSA-N 2 0 320.477 2.812 20 0 DFADRP C[C@H](CNC(=O)CC[N@H+](C)C1CCCCC1)[NH+]1CCC(C)CC1 ZINC000546015700 430342969 /nfs/dbraw/zinc/34/29/69/430342969.db2.gz VYQDKZLIRZPUHZ-QGZVFWFLSA-N 2 0 323.525 2.878 20 0 DFADRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+][C@H]1CCc2c1cccc2Cl ZINC000546017628 430343256 /nfs/dbraw/zinc/34/32/56/430343256.db2.gz GAQAUSGKEHELEX-KDOFPFPSSA-N 2 0 321.896 2.943 20 0 DFADRP C[C@@H](C[C@@H]1CCCC(=O)N1)[NH2+]C1CC[NH+](CC2CCCC2)CC1 ZINC000638454718 430347710 /nfs/dbraw/zinc/34/77/10/430347710.db2.gz NIYKXZBXTYSOMG-YJBOKZPZSA-N 2 0 321.509 2.678 20 0 DFADRP C[N@H+](CCC(=O)N1CC[C@H](C[NH+]2CCCC2)C1)C1CCCCC1 ZINC000547732625 430415953 /nfs/dbraw/zinc/41/59/53/430415953.db2.gz LHSAKGPTLDTHMJ-QGZVFWFLSA-N 2 0 321.509 2.585 20 0 DFADRP CC(C)([NH3+])c1cn(Cc2cccc(C[NH+]3CCCCC3)c2)nn1 ZINC000641179848 430355110 /nfs/dbraw/zinc/35/51/10/430355110.db2.gz UEAJPKDTTBICSD-UHFFFAOYSA-N 2 0 313.449 2.506 20 0 DFADRP [NH3+]C[C@H]1CCCC[C@@H]1NC[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC000583078914 430360998 /nfs/dbraw/zinc/36/09/98/430360998.db2.gz ZNPRJJMZTRDBLI-JFRXWTBNSA-N 2 0 319.468 2.626 20 0 DFADRP c1ccc(CC[N@H+]2CC[C@@H](C[NH2+]CCC[C@@H]3CCO3)C2)cc1 ZINC000638522094 430366603 /nfs/dbraw/zinc/36/66/03/430366603.db2.gz XAVLUODCPKGBTJ-RBUKOAKNSA-N 2 0 302.462 2.710 20 0 DFADRP CO[C@@](C)(C[NH2+]C[C@H]1CC[N@H+](CCc2ccccc2)C1)C1CC1 ZINC000638521279 430367058 /nfs/dbraw/zinc/36/70/58/430367058.db2.gz FBPUQDMFUZGSMM-QUCCMNQESA-N 2 0 316.489 2.956 20 0 DFADRP C[C@@H](C(=O)N1CCCc2cccc(C[NH3+])c21)[C@@H]([NH3+])c1ccccc1 ZINC000638549172 430373920 /nfs/dbraw/zinc/37/39/20/430373920.db2.gz PZGKJKWXPVBGAO-RDTXWAMCSA-N 2 0 323.440 2.761 20 0 DFADRP C[C@@H](C[NH2+]C[C@@]1(C)C[C@@H]1c1ccccc1)CN1CC[NH+](C)CC1 ZINC000638550793 430375155 /nfs/dbraw/zinc/37/51/55/430375155.db2.gz JGMVQAWRPXYRRT-DFQSSKMNSA-N 2 0 315.505 2.653 20 0 DFADRP CC1=C(C)C[C@H]([C@@H](C)[NH2+]CCC[N@@H+]2CCC[C@H](C(N)=O)C2)CC1 ZINC000638570840 430378606 /nfs/dbraw/zinc/37/86/06/430378606.db2.gz HRVBDHCFBUMRTK-KURKYZTESA-N 2 0 321.509 2.688 20 0 DFADRP [NH3+][C@H]1CCC[C@@H]([NH2+]C2CCN(Cc3ccc(F)c(F)c3)CC2)C1 ZINC000568646310 430378761 /nfs/dbraw/zinc/37/87/61/430378761.db2.gz DXOUFHNLGGWEPB-GOEBONIOSA-N 2 0 323.431 2.789 20 0 DFADRP CC(C)(O)C[NH+]1CCC([NH2+]C[C@@H]2CCc3ccccc3C2)CC1 ZINC000638610414 430390252 /nfs/dbraw/zinc/39/02/52/430390252.db2.gz WSMGTIBPFQZRTN-MRXNPFEDSA-N 2 0 316.489 2.616 20 0 DFADRP CN1CCN(c2cc[nH+]cc2NC(=O)[C@H]2CCCC2(C)C)CC1 ZINC000547473494 430397368 /nfs/dbraw/zinc/39/73/68/430397368.db2.gz CSRSJJPYRGGHGK-CQSZACIVSA-N 2 0 316.449 2.598 20 0 DFADRP C[N@@H+]1CC[C@H](CC(=O)Nc2ccccc2Nc2cc[nH+]cc2)C1 ZINC000635877061 430400857 /nfs/dbraw/zinc/40/08/57/430400857.db2.gz JGVDABCEYSYEQA-CQSZACIVSA-N 2 0 310.401 2.527 20 0 DFADRP CCc1ccc(CC[NH2+]C2CC[NH+](CC(C)(C)O)CC2)cc1 ZINC000638664188 430402392 /nfs/dbraw/zinc/40/23/92/430402392.db2.gz RZBDASHKUNTHTR-UHFFFAOYSA-N 2 0 304.478 2.616 20 0 DFADRP CO[C@@H](C[NH2+]C1CCC(C[NH+](C)C)CC1)Cc1ccccc1 ZINC000638781020 430433677 /nfs/dbraw/zinc/43/36/77/430433677.db2.gz ZNGKVJUEKCNABR-CTWPCTMYSA-N 2 0 304.478 2.954 20 0 DFADRP [NH3+][C@H](CCC(=O)N1CCCCC[C@H]([NH3+])C1)CC1CCCCC1 ZINC000638815448 430442172 /nfs/dbraw/zinc/44/21/72/430442172.db2.gz HDQUQOCXWNIQTJ-SJORKVTESA-N 2 0 309.498 2.794 20 0 DFADRP C[C@H]([NH2+][C@@H]1CCCN(c2cccc(F)c2)C1)[C@@H]1CCC[NH2+]C1 ZINC000583928700 430442828 /nfs/dbraw/zinc/44/28/28/430442828.db2.gz ZYHVCIMKPYRDKY-ZMSDIMECSA-N 2 0 305.441 2.772 20 0 DFADRP C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)CC[NH+](C)C1CCCCC1 ZINC000548060479 430443966 /nfs/dbraw/zinc/44/39/66/430443966.db2.gz AWSSODBNXBGMPH-DLBZAZTESA-N 2 0 323.525 2.878 20 0 DFADRP C[N@H+](CCC[NH2+]Cc1ccc2[nH]c(=O)[nH]c2c1)Cc1ccccc1 ZINC000641707877 430449035 /nfs/dbraw/zinc/44/90/35/430449035.db2.gz NDIPPEQQGSKKRW-UHFFFAOYSA-N 2 0 324.428 2.880 20 0 DFADRP COc1ncc(C[NH2+]CC2CCN(c3cc[nH+]cc3)CC2)s1 ZINC000638836562 430450737 /nfs/dbraw/zinc/45/07/37/430450737.db2.gz IHRAUBHZAWPGAH-UHFFFAOYSA-N 2 0 318.446 2.553 20 0 DFADRP CSc1ccc(C[NH2+]CCCC[NH+]2C[C@H](C)O[C@@H](C)C2)o1 ZINC000641727859 430453870 /nfs/dbraw/zinc/45/38/70/430453870.db2.gz XLFUTESTPYYVOK-KBPBESRZSA-N 2 0 312.479 2.981 20 0 DFADRP COc1cc(C[C@@H](C)[NH2+]Cc2cccc(C[NH+](C)C)c2)ccn1 ZINC000638851492 430454691 /nfs/dbraw/zinc/45/46/91/430454691.db2.gz MHLHQWDQPMDFGU-OAHLLOKOSA-N 2 0 313.445 2.873 20 0 DFADRP [NH3+]CCCCC(=O)N[C@@H]1CCCCC[N@H+](Cc2ccccc2)C1 ZINC000638851474 430454788 /nfs/dbraw/zinc/45/47/88/430454788.db2.gz LUOQEDZTDHJJGR-GOSISDBHSA-N 2 0 317.477 2.676 20 0 DFADRP C[C@H]([NH3+])[C@H](C)C(=O)N[C@H]1CCCCC[N@H+](Cc2ccccc2)C1 ZINC000638850698 430455543 /nfs/dbraw/zinc/45/55/43/430455543.db2.gz GTEAKSLSFPBNSL-BQFCYCMXSA-N 2 0 317.477 2.531 20 0 DFADRP CC(C)[C@@H](CO)[NH2+][C@H]1CCN(Cc2ccccc2)C2(CC2)C1 ZINC000569483943 430459607 /nfs/dbraw/zinc/45/96/07/430459607.db2.gz ZBNRRBCZVKSAPI-ZWKOTPCHSA-N 2 0 302.462 2.790 20 0 DFADRP C[C@H](CN[C@@H]1CC[N@H+](C2CC2)[C@H](c2ccccc2)C1)[NH+](C)C ZINC000638867173 430460354 /nfs/dbraw/zinc/46/03/54/430460354.db2.gz YZRAWBIDCTYJJM-SUMDDJOVSA-N 2 0 301.478 2.894 20 0 DFADRP C[C@H](CN[C@@H]1CC[N@H+](C2CC2)[C@@H](c2ccccc2)C1)[NH+](C)C ZINC000638867174 430460598 /nfs/dbraw/zinc/46/05/98/430460598.db2.gz YZRAWBIDCTYJJM-SZVBFZGTSA-N 2 0 301.478 2.894 20 0 DFADRP CC[C@@H]([NH3+])C(=O)NC[C@@H]1CCCCN1Cc1cccc(Cl)c1 ZINC000584111061 430460654 /nfs/dbraw/zinc/46/06/54/430460654.db2.gz JCJPXJZGMJOZTD-JKSUJKDBSA-N 2 0 323.868 2.548 20 0 DFADRP CCOC(=O)C1(C)CCC([NH2+]C[C@H]2CC[N@@H+](C(C)C)C2)CC1 ZINC000569507125 430461039 /nfs/dbraw/zinc/46/10/39/430461039.db2.gz BITSWJTWNDQLTH-KLHKWILBSA-N 2 0 310.482 2.818 20 0 DFADRP O=C(N[C@H]1C[C@@H]([NH+]2CCCC2)C1)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC000636110578 430463852 /nfs/dbraw/zinc/46/38/52/430463852.db2.gz DFAOOPHABGHDGJ-JQHSSLGASA-N 2 0 319.493 2.527 20 0 DFADRP CC[NH+]1CCN(CC(C)(C)[NH2+]Cc2ccc(SC)o2)CC1 ZINC000641760857 430465030 /nfs/dbraw/zinc/46/50/30/430465030.db2.gz XXWVOHFGZTXUSI-UHFFFAOYSA-N 2 0 311.495 2.507 20 0 DFADRP C[N@H+](Cc1ccccc1)CC(C)(C)CNCCC[NH+]1CCC1 ZINC000584182945 430466945 /nfs/dbraw/zinc/46/69/45/430466945.db2.gz QBFJLDOKQBPYNT-UHFFFAOYSA-N 2 0 303.494 2.830 20 0 DFADRP [NH3+][C@@H]1CCCO[C@@H]1C1CC[NH+](C[C@@H]2CCC3(CCCC3)O2)CC1 ZINC000641800486 430477006 /nfs/dbraw/zinc/47/70/06/430477006.db2.gz XTBNZLUWZGDVEG-RCCFBDPRSA-N 2 0 322.493 2.697 20 0 DFADRP CCCc1nc(C)c(C[NH+]2CCC([C@@H]3OCCC[C@H]3[NH3+])CC2)o1 ZINC000641799859 430477367 /nfs/dbraw/zinc/47/73/67/430477367.db2.gz RPILREJRNHJBSH-QAPCUYQASA-N 2 0 321.465 2.654 20 0 DFADRP C[C@@H](CC[NH2+]Cc1c[nH]c2ncncc12)[N@H+](C)Cc1ccccc1 ZINC000638726908 430419389 /nfs/dbraw/zinc/41/93/89/430419389.db2.gz WYYZULJLKJCXGT-HNNXBMFYSA-N 2 0 323.444 2.910 20 0 DFADRP CO[C@H](C[NH2+]CCC[NH+](C(C)C)C(C)C)C1CCOCC1 ZINC000638733630 430419691 /nfs/dbraw/zinc/41/96/91/430419691.db2.gz IONRGDYXEFQAHJ-QGZVFWFLSA-N 2 0 300.487 2.527 20 0 DFADRP CC(C)[C@H](C[NH2+]C1CC[NH+](CC(C)(C)O)CC1)c1cccnc1 ZINC000638732059 430420332 /nfs/dbraw/zinc/42/03/32/430420332.db2.gz KAANVWDMLBMZHQ-SFHVURJKSA-N 2 0 319.493 2.646 20 0 DFADRP CN1CC[N@H+](Cc2ccc3c(c2)C[NH2+]CC3)C2(CCCCC2)C1 ZINC000583697927 430420609 /nfs/dbraw/zinc/42/06/09/430420609.db2.gz CYGNAMJBVCTRAJ-UHFFFAOYSA-N 2 0 313.489 2.783 20 0 DFADRP Cc1ccc(CC[NH2+]C2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)cc1 ZINC000638751726 430423789 /nfs/dbraw/zinc/42/37/89/430423789.db2.gz SKMNPFMGZRPNGU-PMACEKPBSA-N 2 0 316.489 2.895 20 0 DFADRP CO[C@H](C[NH2+]C1CCC([NH+]2CCC(C)CC2)CC1)[C@@H]1CCOC1 ZINC000638776914 430431395 /nfs/dbraw/zinc/43/13/95/430431395.db2.gz SJKLPPCDTAIAJS-LWSMDNFKSA-N 2 0 324.509 2.671 20 0 DFADRP COc1cc(C[C@H](C)[NH2+]C2CCC(C[NH+](C)C)CC2)ccn1 ZINC000638779818 430431585 /nfs/dbraw/zinc/43/15/85/430431585.db2.gz MWTIJYNURQHCBB-UQPPLGOBSA-N 2 0 305.466 2.731 20 0 DFADRP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+]Cc1ccc([C@H](C)[NH3+])cc1 ZINC000569200177 430432466 /nfs/dbraw/zinc/43/24/66/430432466.db2.gz UOYPBUJWHVHWNV-AWEZNQCLSA-N 3 0 321.428 2.885 20 0 DFADRP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCC[N@H+](C[C@@H]3CCC4(CCCC4)O3)C2)C1 ZINC000641821669 430482996 /nfs/dbraw/zinc/48/29/96/430482996.db2.gz NZYHVLPQUJQARE-BDXSIMOUSA-N 2 0 322.493 2.697 20 0 DFADRP CCCc1nc(C)c(C[N@@H+]2CCC[C@H]([C@H]3C[C@@H]([NH3+])CCO3)C2)o1 ZINC000641823617 430483380 /nfs/dbraw/zinc/48/33/80/430483380.db2.gz STXDVZSMBVDLAG-HRCADAONSA-N 2 0 321.465 2.654 20 0 DFADRP CC[C@@](C)(C[NH2+]Cc1ccccc1C[N@@H+]1CCC[C@@H]1CO)OC ZINC000638972563 430485194 /nfs/dbraw/zinc/48/51/94/430485194.db2.gz VGKNRBUVKZXRCV-MOPGFXCFSA-N 2 0 320.477 2.548 20 0 DFADRP Fc1ccc2oc(C[N@@H+]3CCC[C@H]3Cn3ccnc3)nc2c1 ZINC000639042742 430500315 /nfs/dbraw/zinc/50/03/15/430500315.db2.gz JGUYJQSWTVQSNL-ZDUSSCGKSA-N 2 0 300.337 2.828 20 0 DFADRP CC(C)(O)C[NH+]1CCC([NH2+][C@H]2CCCc3sccc32)CC1 ZINC000639053579 430503537 /nfs/dbraw/zinc/50/35/37/430503537.db2.gz IXRKOWFINDNDCS-HNNXBMFYSA-N 2 0 308.491 2.950 20 0 DFADRP C[NH+]1CCN(c2cc[nH+]cc2N[C@@H]2CC[C@@H]2C2CCC2)CC1 ZINC000548885001 430509076 /nfs/dbraw/zinc/50/90/76/430509076.db2.gz RVPGORACYOQRLO-HZPDHXFCSA-N 2 0 300.450 2.824 20 0 DFADRP CC[C@H](C(=O)N1CC[C@H](C[NH3+])c2ccccc21)[NH+](CC)CC ZINC000639068618 430511310 /nfs/dbraw/zinc/51/13/10/430511310.db2.gz YDZCXQATDLJTSZ-GDBMZVCRSA-N 2 0 303.450 2.586 20 0 DFADRP CCn1ccnc1CN[C@H](C[NH+](C)C)c1ccc(Cl)cc1 ZINC000548992379 430513817 /nfs/dbraw/zinc/51/38/17/430513817.db2.gz XINZPXFQUDKLDX-OAHLLOKOSA-N 2 0 306.841 2.949 20 0 DFADRP C[N@@H+]1CCC[C@H](CC[NH2+]Cc2cnc(-c3ccccc3)nc2)C1 ZINC000570174923 430519629 /nfs/dbraw/zinc/51/96/29/430519629.db2.gz LHARHTMEHNCAQC-MRXNPFEDSA-N 2 0 310.445 2.965 20 0 DFADRP CC[NH+](CC)CC1CC[NH+](C[C@H]2COc3ccccc3O2)CC1 ZINC000642643674 430524407 /nfs/dbraw/zinc/52/44/07/430524407.db2.gz UCHNHRSOQXPBRQ-KRWDZBQOSA-N 2 0 318.461 2.880 20 0 DFADRP CC[NH+](CC)Cc1ccc(C(=O)N[C@@H](CC(C)C)C[NH+](C)C)o1 ZINC000642676410 430524775 /nfs/dbraw/zinc/52/47/75/430524775.db2.gz WWADCUGMKYVYKJ-HNNXBMFYSA-N 2 0 323.481 2.828 20 0 DFADRP CO[C@](C)(C[NH2+]C[C@H]1CC[N@H+](Cc2ccccc2)C1)C1CC1 ZINC000639117501 430531238 /nfs/dbraw/zinc/53/12/38/430531238.db2.gz GYIXCJSKWIYEKO-IEBWSBKVSA-N 2 0 302.462 2.913 20 0 DFADRP CCOC1CC(C[NH2+]C[C@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000639117507 430532531 /nfs/dbraw/zinc/53/25/31/430532531.db2.gz HDGQLEQXFUUMOH-LMDPOFIKSA-N 2 0 302.462 2.913 20 0 DFADRP COc1cc(C)c(C[NH+]2CCC([C@@H]3CC[NH2+]C3)CC2)c(C)n1 ZINC000357071147 277803551 /nfs/dbraw/zinc/80/35/51/277803551.db2.gz GHVMLHQWCSQVPA-MRXNPFEDSA-N 2 0 303.450 2.529 20 0 DFADRP O=C(CCN[C@@H]1CC[N@@H+]2CCCC[C@H]12)Nc1cccc(Cl)c1 ZINC000570391241 430539884 /nfs/dbraw/zinc/53/98/84/430539884.db2.gz PLHSMIZOOAFJEG-HZPDHXFCSA-N 2 0 321.852 2.885 20 0 DFADRP COc1ccc(COCC[N@@H+]2CCCC[C@H]2[C@@H]2CC[NH2+]C2)cc1 ZINC000643064217 430548031 /nfs/dbraw/zinc/54/80/31/430548031.db2.gz XLPGSNNYAFOHBL-MJGOQNOKSA-N 2 0 318.461 2.676 20 0 DFADRP COc1cccc(OC)c1C[N@@H+]1CC[C@@H](C2CC[NH+](C)CC2)C1 ZINC000639176857 430555233 /nfs/dbraw/zinc/55/52/33/430555233.db2.gz LWBUZMKRWJEAGR-MRXNPFEDSA-N 2 0 318.461 2.868 20 0 DFADRP OC[C@H](CCF)[NH2+][C@H]1CCN(C2CC2)[C@H](c2ccccc2)C1 ZINC000639295534 430601123 /nfs/dbraw/zinc/60/11/23/430601123.db2.gz MPMYBQFOXUFTCB-BQFCYCMXSA-N 2 0 306.425 2.665 20 0 DFADRP C[NH+](C)CCCOc1cnccc1C[NH2+]C[C@@H]1CC[C@H]2C[C@H]2C1 ZINC000639186159 430562340 /nfs/dbraw/zinc/56/23/40/430562340.db2.gz YRVKGOMBTGTQMA-SOLBZPMBSA-N 2 0 317.477 2.938 20 0 DFADRP C[C@H](CN(C)Cc1ccccc1)[NH2+][C@@H](C)C[C@H]1CCCC(=O)N1 ZINC000639186102 430562607 /nfs/dbraw/zinc/56/26/07/430562607.db2.gz IQPGLIHABZZNFP-LZLYRXPVSA-N 2 0 317.477 2.544 20 0 DFADRP CC(C)(O)C[NH+]1CCC([NH2+]C[C@H]2CSc3ccccc32)CC1 ZINC000639214435 430573852 /nfs/dbraw/zinc/57/38/52/430573852.db2.gz PTZXFXLQRYXPCW-AWEZNQCLSA-N 2 0 320.502 2.701 20 0 DFADRP Cc1cn2c(C[NH2+]C3CCC([NH+](C)C)CC3)c(C)nc2s1 ZINC000643296060 430576037 /nfs/dbraw/zinc/57/60/37/430576037.db2.gz GSOUIHPPSHIISN-UHFFFAOYSA-N 2 0 306.479 2.975 20 0 DFADRP COc1ccc(C[C@@H](C)[NH2+]C[C@H]2CCC[N@H+](C)C2)c(C)c1OC ZINC000552044962 430580651 /nfs/dbraw/zinc/58/06/51/430580651.db2.gz TTWVFGNAPLNTMT-GDBMZVCRSA-N 2 0 320.477 2.875 20 0 DFADRP CC[C@H]([NH2+]C[C@H]1CCN(c2ccc(F)c(F)c2)C1)[C@@H]1CCC[NH2+]1 ZINC000643453053 430601877 /nfs/dbraw/zinc/60/18/77/430601877.db2.gz FGUAAWQDWHUGBL-BVGQSLNGSA-N 2 0 323.431 2.911 20 0 DFADRP CC(C)C[N@@H+]1CCCC[C@@H]1CN[C@@H]1CC[NH+](C)[C@@H]2CCC[C@H]21 ZINC000552062656 430582981 /nfs/dbraw/zinc/58/29/81/430582981.db2.gz CGDHHUSETGNKCB-FCGDIQPGSA-N 2 0 307.526 2.959 20 0 DFADRP CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)CCCC[NH+](C)C ZINC000552118595 430585596 /nfs/dbraw/zinc/58/55/96/430585596.db2.gz OEORISUALWJUEI-UHFFFAOYSA-N 2 0 319.493 2.829 20 0 DFADRP C[NH+](C)CCCCC(=O)Nc1cccc(CC[NH+]2CCCC2)c1 ZINC000552175293 430588101 /nfs/dbraw/zinc/58/81/01/430588101.db2.gz STXRIYKXLRAVJG-UHFFFAOYSA-N 2 0 317.477 2.995 20 0 DFADRP c1[nH+]cn2cc(C[NH2+]C[C@H]3CCN(c4ccccc4)C3)ccc12 ZINC000639256629 430589543 /nfs/dbraw/zinc/58/95/43/430589543.db2.gz KORUAVDAQMIDIS-QGZVFWFLSA-N 2 0 306.413 2.950 20 0 DFADRP C[C@@H]1CCC[C@](CN[C@@H]2CC[N@H+](C)[C@@H]3CCC[C@H]32)([NH+](C)C)C1 ZINC000552223295 430591655 /nfs/dbraw/zinc/59/16/55/430591655.db2.gz MMNAGPYQIJMRFD-ZRSRNVLSSA-N 2 0 307.526 2.959 20 0 DFADRP C[C@H]([NH2+]C[C@H]1CCN(c2ccc(Cl)cc2)C1)[C@H]1CCC[NH2+]1 ZINC000643453112 430602193 /nfs/dbraw/zinc/60/21/93/430602193.db2.gz IEXISEQASNGMPT-JJRVBVJISA-N 2 0 307.869 2.896 20 0 DFADRP Clc1ccc(N2CC[C@@H](C[NH2+][C@H]3CCC[NH2+]CC3)C2)cc1 ZINC000643453246 430602235 /nfs/dbraw/zinc/60/22/35/430602235.db2.gz SZGDJXGCSCFGMO-HOCLYGCPSA-N 2 0 307.869 2.898 20 0 DFADRP CC[C@H]([NH2+]CCc1c[nH]c2ccc(OC)cc12)[C@@H]1CCC[NH2+]1 ZINC000643453434 430602260 /nfs/dbraw/zinc/60/22/60/430602260.db2.gz AZIKZBGYZIOCBE-WMZOPIPTSA-N 2 0 301.434 2.839 20 0 DFADRP CC(C)[C@H]1CC[C@@H]1[NH2+]C[C@@H]1CCCN(C)[C@H]1c1ccnn1C ZINC000552323865 430594683 /nfs/dbraw/zinc/59/46/83/430594683.db2.gz UDFPLJCNIDIBDN-UIBIWLFHSA-N 2 0 304.482 2.827 20 0 DFADRP COc1cc(CNC[C@@H]2C[N@H+](C)C[C@H]2c2ccccc2)sn1 ZINC000639285121 430597760 /nfs/dbraw/zinc/59/77/60/430597760.db2.gz BTLZQCUVFZZZCR-ZBFHGGJFSA-N 2 0 317.458 2.587 20 0 DFADRP C[C@H](C[C@H](C)[NH3+])[NH2+][C@@H]1CCN(c2ccc(C(F)(F)F)cc2)C1 ZINC000643455369 430602448 /nfs/dbraw/zinc/60/24/48/430602448.db2.gz AJGCDVSPDWZHBZ-OUCADQQQSA-N 2 0 315.383 3.000 20 0 DFADRP CCCN(CCC[NH+](C)C)C(=O)Nc1cccc2c1CC[NH2+]C2 ZINC000571056407 430599930 /nfs/dbraw/zinc/59/99/30/430599930.db2.gz PXNZLEQRUZMWIE-UHFFFAOYSA-N 2 0 318.465 2.528 20 0 DFADRP OC[C@H](CCF)[NH2+][C@@H]1CCN(C2CC2)[C@@H](c2ccccc2)C1 ZINC000639295542 430600377 /nfs/dbraw/zinc/60/03/77/430600377.db2.gz MPMYBQFOXUFTCB-SOLBZPMBSA-N 2 0 306.425 2.665 20 0 DFADRP CC(C)(O)C[NH+]1CCC([NH2+][C@H]2C[C@H](c3ccccc3)C2)CC1 ZINC000639148994 430545359 /nfs/dbraw/zinc/54/53/59/430545359.db2.gz USXDVEHBPUNMGF-SAABIXHNSA-N 2 0 302.462 2.758 20 0 DFADRP c1ccc2c(c1)COC21CC[NH+](CC[C@@H]2CCC[NH2+]C2)CC1 ZINC000643058213 430546123 /nfs/dbraw/zinc/54/61/23/430546123.db2.gz QZDVKGAYIIEXFE-INIZCTEOSA-N 2 0 300.446 2.898 20 0 DFADRP O=C(CC1CC[NH+](CC[C@@H]2CCC[NH2+]C2)CC1)NC1CCCC1 ZINC000643057130 430546614 /nfs/dbraw/zinc/54/66/14/430546614.db2.gz AXDWNFOIVAQSCQ-KRWDZBQOSA-N 2 0 321.509 2.537 20 0 DFADRP CSC1(C[NH2+][C@H]2[C@H]3CCO[C@H]3C23CCCC3)CC[NH+](C)CC1 ZINC000555002988 430658197 /nfs/dbraw/zinc/65/81/97/430658197.db2.gz MCVAIXMDJMEXMM-OWCLPIDISA-N 2 0 324.534 2.751 20 0 DFADRP C[C@H](NC[C@H](c1ccccc1)[NH+]1CCCC1)[C@H]1CCC[NH2+]C1 ZINC000643454234 430602816 /nfs/dbraw/zinc/60/28/16/430602816.db2.gz OEQNMJLBAWHCNZ-YTQUADARSA-N 2 0 301.478 2.801 20 0 DFADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]C[C@@H]1CCN(c2ccc(F)c(F)c2)C1 ZINC000643453209 430602860 /nfs/dbraw/zinc/60/28/60/430602860.db2.gz OXZKIMLVGRIBLE-GLJUWKHASA-N 2 0 323.431 2.769 20 0 DFADRP Cc1ccccc1C[NH+]1CCC(N[C@@H](C)[C@H]2CCC[NH2+]C2)CC1 ZINC000643463495 430603820 /nfs/dbraw/zinc/60/38/20/430603820.db2.gz GXZNIDPTKBDMTC-ROUUACIJSA-N 2 0 315.505 2.937 20 0 DFADRP CC[N@H+](Cc1ccc(C(=O)N2CC[C@@H]([NH3+])C[C@@H]2C)cc1)C1CC1 ZINC000571101779 430603833 /nfs/dbraw/zinc/60/38/33/430603833.db2.gz CSLSMLYPMLIFHI-WMLDXEAASA-N 2 0 315.461 2.623 20 0 DFADRP C[C@H]([NH2+]Cc1cccc(OCc2ccccn2)c1)[C@H]1CC[NH2+]C1 ZINC000643462195 430604766 /nfs/dbraw/zinc/60/47/66/430604766.db2.gz BJFXVWIAWFPMLM-RDJZCZTQSA-N 2 0 311.429 2.748 20 0 DFADRP C[C@H]([NH2+]CCc1ccn(-c2ccc(F)cc2)n1)[C@@H]1CCC[NH2+]C1 ZINC000643458048 430604875 /nfs/dbraw/zinc/60/48/75/430604875.db2.gz ABMVQIFDEVZGOW-LSDHHAIUSA-N 2 0 316.424 2.532 20 0 DFADRP C[C@@H]([NH2+]CCCc1nc2c(s1)CCCC2)[C@@H]1CCC[NH2+]C1 ZINC000643464290 430605741 /nfs/dbraw/zinc/60/57/41/430605741.db2.gz GARJUACZOKCKCC-ZIAGYGMSSA-N 2 0 307.507 2.932 20 0 DFADRP C[C@@H]([NH2+]CCCc1cccc(Br)c1)[C@@H]1CC[NH2+]C1 ZINC000643469447 430606038 /nfs/dbraw/zinc/60/60/38/430606038.db2.gz WEVUGOSFPXMUKA-TZMCWYRMSA-N 2 0 311.267 2.969 20 0 DFADRP CC[C@@H](C)[C@H](C[NH2+]CC1CC[NH+](Cc2ccncc2)CC1)OC ZINC000639310773 430606501 /nfs/dbraw/zinc/60/65/01/430606501.db2.gz HFLTYZLCXABYMS-APWZRJJASA-N 2 0 319.493 2.944 20 0 DFADRP COc1ccc2c(c1)OC[C@H]([NH2+][C@H]1C[C@@H]([NH3+])c3ccccc31)C2 ZINC000643477732 430607019 /nfs/dbraw/zinc/60/70/19/430607019.db2.gz IAMWLYVXGLXWTD-XWIAVFTESA-N 2 0 310.397 2.733 20 0 DFADRP c1ccc2c(c1)CC[C@H](C[NH2+][C@@H]1CCOC[C@H]1[C@@H]1CCC[NH2+]1)C2 ZINC000643478090 430607264 /nfs/dbraw/zinc/60/72/64/430607264.db2.gz XZVMFARSVGMFDT-MVJPYGJCSA-N 2 0 314.473 2.538 20 0 DFADRP C[C@H]([NH3+])C[C@H](C)N[C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000643480371 430607807 /nfs/dbraw/zinc/60/78/07/430607807.db2.gz CJMAJVYWXOAPAF-PLOWYNNNSA-N 2 0 301.478 2.612 20 0 DFADRP C[C@H](Cc1ccccc1)[NH+]1CCC(NC[C@@H]2CCCC[NH2+]2)CC1 ZINC000643502774 430609623 /nfs/dbraw/zinc/60/96/23/430609623.db2.gz QMLKDFFDIFLWGJ-XLIONFOSSA-N 2 0 315.505 2.814 20 0 DFADRP COc1cc2c(cc1F)[nH+]ccc2N1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000571186780 430610095 /nfs/dbraw/zinc/61/00/95/430610095.db2.gz FXPIVJKKWHWQDG-CORIIIEPSA-N 2 0 315.392 2.946 20 0 DFADRP COc1cc2c(cc1F)[nH+]ccc2N1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000571186781 430610212 /nfs/dbraw/zinc/61/02/12/430610212.db2.gz FXPIVJKKWHWQDG-LNSITVRQSA-N 2 0 315.392 2.946 20 0 DFADRP Clc1ccccc1C[NH+]1CCC(NCC[NH2+]C2CC2)CC1 ZINC000643506430 430610713 /nfs/dbraw/zinc/61/07/13/430610713.db2.gz WMDIGXRPAXSMPS-UHFFFAOYSA-N 2 0 307.869 2.646 20 0 DFADRP OCC1CC([NH2+][C@@H]2CCN(C3CC3)[C@H](c3ccccc3)C2)C1 ZINC000639334160 430612062 /nfs/dbraw/zinc/61/20/62/430612062.db2.gz ADBVQFOQWZUJTD-BVSRCJTMSA-N 2 0 300.446 2.715 20 0 DFADRP COc1cc([C@@H](C)[NH2+][C@H]2CC23CC[NH2+]CC3)cc(OC)c1OC ZINC000643534055 430613143 /nfs/dbraw/zinc/61/31/43/430613143.db2.gz KIQWUQMWMYNKEJ-WBMJQRKESA-N 2 0 320.433 2.505 20 0 DFADRP CC(C)[C@@H]([NH2+][C@@H]1CC12CC[NH2+]CC2)c1ccc2[nH]c(=O)oc2c1 ZINC000643535063 430614283 /nfs/dbraw/zinc/61/42/83/430614283.db2.gz IKTAZMXLVYPZBU-HZPDHXFCSA-N 2 0 315.417 2.962 20 0 DFADRP Cc1nn(C(C)(C)C)cc1[C@H](C)[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000643547999 430616196 /nfs/dbraw/zinc/61/61/96/430616196.db2.gz JJMBOPXCPXQZLL-ARLBYUKCSA-N 2 0 304.482 2.985 20 0 DFADRP C[C@@H]1C[C@H](N[C@@H]2CC[NH2+]C3(CCC3)C2)C[N@@H+]1Cc1ccccc1 ZINC000643545951 430616262 /nfs/dbraw/zinc/61/62/62/430616262.db2.gz FYEGNDVXLXDMDK-QRQLOZEOSA-N 2 0 313.489 2.914 20 0 DFADRP Cn1ccc([C@H]([NH2+][C@H]2CC[C@@H](C[NH3+])C2)c2ccc(Cl)cc2)n1 ZINC000643542737 430616344 /nfs/dbraw/zinc/61/63/44/430616344.db2.gz PDUVGIINXVBVDZ-ISTRZQFTSA-N 2 0 318.852 2.880 20 0 DFADRP CO[C@H](C[NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C)C1CC1 ZINC000639359407 430619525 /nfs/dbraw/zinc/61/95/25/430619525.db2.gz MGFABKKLWUWVGO-KFKAGJAMSA-N 2 0 302.462 2.769 20 0 DFADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C[NH2+]CCC[C@@H]1CCO1 ZINC000639359628 430619772 /nfs/dbraw/zinc/61/97/72/430619772.db2.gz OLSHRRJRQOJZBL-BHIYHBOVSA-N 2 0 302.462 2.913 20 0 DFADRP Cc1ccc(NC(=O)CCCC[NH+](C)C)c(OCC[NH+](C)C)c1 ZINC000571337689 430620283 /nfs/dbraw/zinc/62/02/83/430620283.db2.gz WRFWSMRWHXDDGT-UHFFFAOYSA-N 2 0 321.465 2.606 20 0 DFADRP Cc1cc(Cl)cc(C[NH2+][C@@H]2CCC[C@@H]2N2CC[C@H](O)C2)c1 ZINC000639370786 430622313 /nfs/dbraw/zinc/62/23/13/430622313.db2.gz DCZSEFKECBCUTA-BBWFWOEESA-N 2 0 308.853 2.726 20 0 DFADRP [NH3+][C@H]1CCO[C@H](C2CC[NH+](Cc3scnc3C3CC3)CC2)C1 ZINC000571385703 430623895 /nfs/dbraw/zinc/62/38/95/430623895.db2.gz WXBGPXPADCURQY-GJZGRUSLSA-N 2 0 321.490 2.739 20 0 DFADRP CCC1([NH+]2CCCC2)CC[NH+]([C@@H](C)C(C)(C)n2cncn2)CC1 ZINC000639376096 430626047 /nfs/dbraw/zinc/62/60/47/430626047.db2.gz TWCRWIQKGVSNQL-INIZCTEOSA-N 2 0 319.497 2.742 20 0 DFADRP CC(C)[C@H](CO)C[NH2+][C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000554085286 430627700 /nfs/dbraw/zinc/62/77/00/430627700.db2.gz FUTXDZJHISTAFF-WDSOQIARSA-N 2 0 304.478 2.751 20 0 DFADRP C[NH+]1CCN(c2cc[nH+]c(NCc3nc4ccccc4o3)c2)CC1 ZINC000639382666 430629219 /nfs/dbraw/zinc/62/92/19/430629219.db2.gz VRJFUDVOBCRXTO-UHFFFAOYSA-N 2 0 323.400 2.587 20 0 DFADRP c1ccc(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH2+][C@@H]4CCOC4)[C@H]3C2)cc1 ZINC000643910779 430641893 /nfs/dbraw/zinc/64/18/93/430641893.db2.gz AHZMTGDJCSGZDK-ZSYWTGECSA-N 2 0 300.446 2.666 20 0 DFADRP C[NH+](C)CCCC(C)(C)NC(=O)c1ccc(CC[NH+](C)C)cc1 ZINC000571655265 430644440 /nfs/dbraw/zinc/64/44/40/430644440.db2.gz CHHDKSFIGCSCTC-UHFFFAOYSA-N 2 0 319.493 2.641 20 0 DFADRP O[C@@H]1CC[N@H+](Cc2cccc(NCc3cccc4nccn43)c2)C1 ZINC000555244672 430663003 /nfs/dbraw/zinc/66/30/03/430663003.db2.gz MQTUXBZZOHPEMT-GOSISDBHSA-N 2 0 322.412 2.513 20 0 DFADRP COc1c(Br)cccc1C[NH2+][C@@H](C)C[C@@H](C)[NH3+] ZINC000571991893 430665482 /nfs/dbraw/zinc/66/54/82/430665482.db2.gz AWRJVBSFYAXFGP-ZJUUUORDSA-N 2 0 301.228 2.673 20 0 DFADRP CC[NH+]1CCC(CNC(=O)C(C)(C)[C@@H]([NH3+])c2ccccc2)CC1 ZINC000572031810 430669422 /nfs/dbraw/zinc/66/94/22/430669422.db2.gz PDXSCLJGKKEYEH-KRWDZBQOSA-N 2 0 317.477 2.561 20 0 DFADRP CC(C)(C)[NH+]1CCC([NH2+]CCC(=O)Nc2ccccc2)CC1 ZINC000555573857 430670257 /nfs/dbraw/zinc/67/02/57/430670257.db2.gz CTYZIMGPIAZEEM-UHFFFAOYSA-N 2 0 303.450 2.868 20 0 DFADRP CC(C)[N@H+](C)CC1CCN(C(=O)[C@H]2CCCCCC[C@@H]2[NH3+])CC1 ZINC000572359235 430683863 /nfs/dbraw/zinc/68/38/63/430683863.db2.gz AEEIBZAFTFOGRU-ROUUACIJSA-N 2 0 323.525 2.863 20 0 DFADRP OCCCN1CCC[C@@H]([NH2+][C@@H](CC2CC2)c2ccccc2)C1 ZINC000556435489 430685934 /nfs/dbraw/zinc/68/59/34/430685934.db2.gz GLCLMQJPXSJRQM-MOPGFXCFSA-N 2 0 302.462 2.964 20 0 DFADRP CCC[C@@H]1CCCC[C@H]1[NH2+]CC(=O)NC1CC[NH+](CC)CC1 ZINC000572488977 430688333 /nfs/dbraw/zinc/68/83/33/430688333.db2.gz ODKGMIVAKQXWHK-NVXWUHKLSA-N 2 0 309.498 2.535 20 0 DFADRP CC[NH2+]CCCNC1CC[NH+]([C@H](C)Cc2ccccc2)CC1 ZINC000572510366 430688844 /nfs/dbraw/zinc/68/88/44/430688844.db2.gz AFIHUBSWQZZFKV-QGZVFWFLSA-N 2 0 303.494 2.671 20 0 DFADRP C[C@@H](CCN1CC[NH+](C)CC1)[NH2+][C@H]1CCc2cc(Cl)ccc21 ZINC000186605417 278231671 /nfs/dbraw/zinc/23/16/71/278231671.db2.gz XTBMZDSBQHKTQN-KSSFIOAISA-N 2 0 321.896 2.943 20 0 DFADRP C[C@H]([NH2+]Cc1ccccc1C[NH+]1CCC(O)CC1)C1(C)CC1 ZINC000361968809 278266891 /nfs/dbraw/zinc/26/68/91/278266891.db2.gz REDXIANXHUJKGV-HNNXBMFYSA-N 2 0 302.462 2.922 20 0 DFADRP C[C@@H]([NH2+]C1CCC([NH3+])CC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000261539718 278334525 /nfs/dbraw/zinc/33/45/25/278334525.db2.gz DBBOAPHHHQZRQC-SVUBNXHSSA-N 3 0 301.478 2.757 20 0 DFADRP C[C@@H]([NH2+]CCC[N@@H+]1CCC[C@H](C(N)=O)C1)[C@H](C)C1CCCCC1 ZINC000128066047 278345340 /nfs/dbraw/zinc/34/53/40/278345340.db2.gz GVSUZWVDCIBOKA-JZXOWHBKSA-N 2 0 323.525 2.768 20 0 DFADRP C[C@H]1CCC[C@H](C)[NH+]1CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000158486145 278351113 /nfs/dbraw/zinc/35/11/13/278351113.db2.gz SAVIXTQJOQDHDB-BQFCYCMXSA-N 2 0 317.477 2.668 20 0 DFADRP Cc1cc(C[NH3+])cc(NC(=O)C2(c3ccccc3)CC[NH2+]CC2)c1 ZINC000648180233 430699938 /nfs/dbraw/zinc/69/99/38/430699938.db2.gz KTMRMXOIEIGSSQ-UHFFFAOYSA-N 2 0 323.440 2.714 20 0 DFADRP CC(C)(C(=O)N[C@@H]1CC[NH2+]C2(CCC2)C1)[C@@H]([NH3+])c1ccccc1 ZINC000648187449 430703224 /nfs/dbraw/zinc/70/32/24/430703224.db2.gz QJDVIOGTIUFJDZ-CVEARBPZSA-N 2 0 315.461 2.504 20 0 DFADRP c1ccc(C2CC2)c(C[NH2+]C2CCN([C@@H]3CCOC3)CC2)c1 ZINC000657750121 430725431 /nfs/dbraw/zinc/72/54/31/430725431.db2.gz AMRWEEKUQYSTED-GOSISDBHSA-N 2 0 300.446 2.907 20 0 DFADRP CC(C)OCC[C@H](O)C[NH2+]Cc1cccc(C[NH+]2CCCC2)c1 ZINC000644519527 430741369 /nfs/dbraw/zinc/74/13/69/430741369.db2.gz YIZMDYMZBKEPIK-IBGZPJMESA-N 2 0 320.477 2.548 20 0 DFADRP CCn1nc(C)c(C[NH2+]CC2CC[NH+](CC3CC3)CC2)c1C ZINC000657813641 430743021 /nfs/dbraw/zinc/74/30/21/430743021.db2.gz VYOICDXNQSGCRJ-UHFFFAOYSA-N 2 0 304.482 2.731 20 0 DFADRP Cc1ccc2nc(C[NH2+]CC3CC[NH+](CC4CC4)CC3)cn2c1 ZINC000657814140 430744917 /nfs/dbraw/zinc/74/49/17/430744917.db2.gz IDGLBGSFSSWNOQ-UHFFFAOYSA-N 2 0 312.461 2.854 20 0 DFADRP C[C@@H]([NH2+]CCCN1CC[NH+](C)CC1)c1cc2ccncc2s1 ZINC000657823685 430745752 /nfs/dbraw/zinc/74/57/52/430745752.db2.gz KJURKYJZEQSXKP-CQSZACIVSA-N 2 0 318.490 2.584 20 0 DFADRP C[C@@H](O)C[NH2+]CCCC[NH+]1CCC(Cc2ccccc2)CC1 ZINC000644557699 430752533 /nfs/dbraw/zinc/75/25/33/430752533.db2.gz IUUJPYWZIAECBS-QGZVFWFLSA-N 2 0 304.478 2.692 20 0 DFADRP C[C@H]([NH2+]C[C@H](O)CN1CCCCC1)c1cc2ccncc2s1 ZINC000657846701 430752845 /nfs/dbraw/zinc/75/28/45/430752845.db2.gz PRFJXIUDUXTEDT-ZFWWWQNUSA-N 2 0 319.474 2.794 20 0 DFADRP COC[C@@H](CC1CCOCC1)[NH2+][C@H](CC[NH+](C)C)C(C)(C)C ZINC000657886144 430760931 /nfs/dbraw/zinc/76/09/31/430760931.db2.gz HKWDIPFJKRMSDP-IAGOWNOFSA-N 2 0 314.514 2.774 20 0 DFADRP C[C@@H](Cc1ccc2c(c1)CCCC2)[NH2+]CC1(O)CC[NH+](C)CC1 ZINC000657887660 430761273 /nfs/dbraw/zinc/76/12/73/430761273.db2.gz NRLUENKMHSJBOG-INIZCTEOSA-N 2 0 316.489 2.543 20 0 DFADRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@H](C)c1cc2cnccc2o1 ZINC000657901293 430763428 /nfs/dbraw/zinc/76/34/28/430763428.db2.gz BHTHXBGMBSMLSW-UKRRQHHQSA-N 2 0 305.422 2.835 20 0 DFADRP C[C@@H]1C[NH+](CCCC[NH2+]C2CC(CF)(CF)C2)C[C@@H](C)O1 ZINC000657919532 430767677 /nfs/dbraw/zinc/76/76/77/430767677.db2.gz NAJZIYUVDHITQN-ZIAGYGMSSA-N 2 0 304.425 2.553 20 0 DFADRP C[NH+]1CCN(c2ccc(N[C@H]3CCCSCC3)nc2)CC1 ZINC000657944135 430773903 /nfs/dbraw/zinc/77/39/03/430773903.db2.gz YUYIBBPAYXWFLM-AWEZNQCLSA-N 2 0 306.479 2.531 20 0 DFADRP C[N@@H+]1CC[C@H]([NH2+]Cc2cccnc2N2CCCC2)[C@@H]2CCC[C@@H]21 ZINC000658105365 430812673 /nfs/dbraw/zinc/81/26/73/430812673.db2.gz IFDIOBKBXBHTFJ-BZSNNMDCSA-N 2 0 314.477 2.644 20 0 DFADRP Cc1cccc2c1CC[C@H]2[NH2+][C@@H](C)CN(C)CCC[NH+](C)C ZINC000658110539 430814548 /nfs/dbraw/zinc/81/45/48/430814548.db2.gz YISBQAOFKFFFSD-QFBILLFUSA-N 2 0 303.494 2.844 20 0 DFADRP CO[C@](C)(C[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1)COCc1ccccc1 ZINC000658133379 430820380 /nfs/dbraw/zinc/82/03/80/430820380.db2.gz QNOWWNFDVPOYCN-NZSAHSFTSA-N 2 0 320.477 2.681 20 0 DFADRP CC[C@H]([NH2+]Cc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1)[C@H]1C[C@@H]1C ZINC000658135298 430820602 /nfs/dbraw/zinc/82/06/02/430820602.db2.gz CZLKIXKVHGPKHA-QZHFEQFPSA-N 2 0 302.462 2.777 20 0 DFADRP CC[C@H]([NH2+]Cc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1)C1CCC1 ZINC000658136415 430820910 /nfs/dbraw/zinc/82/09/10/430820910.db2.gz IEPVQRUHIOKYHX-OALUTQOASA-N 2 0 302.462 2.922 20 0 DFADRP O[C@H]1CC[N@H+](Cc2ccc(C[NH2+][C@H]3CCC[C@H]4C[C@H]43)cc2)C1 ZINC000658137152 430822948 /nfs/dbraw/zinc/82/29/48/430822948.db2.gz JBPZBOJLFPTPRG-OKYOBFRVSA-N 2 0 300.446 2.531 20 0 DFADRP OC/C=C\C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000658141964 430823198 /nfs/dbraw/zinc/82/31/98/430823198.db2.gz XVYAXMCPHATPTN-IOEMXKATSA-N 2 0 300.446 2.568 20 0 DFADRP C[C@H](Cc1ccoc1)[NH2+]Cc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1 ZINC000658139289 430823531 /nfs/dbraw/zinc/82/35/31/430823531.db2.gz QMCCFDTWXAFWQY-BEFAXECRSA-N 2 0 314.429 2.567 20 0 DFADRP C[NH+](C)CCOc1ccc(C[NH2+]C[C@H]2CCOC(C)(C)C2)cc1 ZINC000651596159 430826581 /nfs/dbraw/zinc/82/65/81/430826581.db2.gz IAUMXDFGUSKBKM-KRWDZBQOSA-N 2 0 320.477 2.922 20 0 DFADRP CCO[C@H]1C[C@H]([NH2+][C@@H](C)c2ccc(OCC[NH+](C)C)cc2)C1 ZINC000658163292 430830186 /nfs/dbraw/zinc/83/01/86/430830186.db2.gz NYKPZGZICWBLIM-ZVZYQTTQSA-N 2 0 306.450 2.845 20 0 DFADRP C[C@@H]1CC[C@@H](C[NH2+]Cc2ccc(OCC[NH+]3CCCC3)cc2)O1 ZINC000651620987 430832880 /nfs/dbraw/zinc/83/28/80/430832880.db2.gz JYPKTNZSKXXMRB-APWZRJJASA-N 2 0 318.461 2.818 20 0 DFADRP C[C@@H]([NH2+]CC1CC[NH+](Cc2ccncc2)CC1)[C@H]1CCCOC1 ZINC000658167282 430833126 /nfs/dbraw/zinc/83/31/26/430833126.db2.gz RKIBHPIWQWNYJW-APWZRJJASA-N 2 0 317.477 2.698 20 0 DFADRP C[C@H]1CC[C@H](C[NH2+]Cc2ccc(OCC[NH+]3CCCC3)cc2)O1 ZINC000651620989 430833144 /nfs/dbraw/zinc/83/31/44/430833144.db2.gz JYPKTNZSKXXMRB-QFBILLFUSA-N 2 0 318.461 2.818 20 0 DFADRP C[N@H+](CCc1ccccc1)[C@H]1CCN(CC[NH+]2CCCCC2)C1 ZINC000661640987 430788128 /nfs/dbraw/zinc/78/81/28/430788128.db2.gz CHYNISWCHUWDHV-FQEVSTJZSA-N 2 0 315.505 2.721 20 0 DFADRP CC[C@H]1C[C@@H]([NH2+]CCc2ccc(OCC[NH+](C)C)cc2)CCO1 ZINC000648446907 430790755 /nfs/dbraw/zinc/79/07/55/430790755.db2.gz IBNUHSLMCRONIU-ROUUACIJSA-N 2 0 320.477 2.717 20 0 DFADRP C[C@H](CC1CCOCC1)[NH2+]CC1CC[NH+](C2CCOCC2)CC1 ZINC000658068589 430798479 /nfs/dbraw/zinc/79/84/79/430798479.db2.gz XJGCCWHXZDZBAZ-MRXNPFEDSA-N 2 0 324.509 2.672 20 0 DFADRP C[C@@H](Cc1ccccc1)[NH+]1CCC([NH2+][C@H](CO)C2CCC2)CC1 ZINC000658087557 430807003 /nfs/dbraw/zinc/80/70/03/430807003.db2.gz UEDFHLVTZCXLLD-OXJNMPFZSA-N 2 0 316.489 2.833 20 0 DFADRP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+][C@@H]2CCC[C@@H](O)C2)CC1 ZINC000648496336 430807323 /nfs/dbraw/zinc/80/73/23/430807323.db2.gz MFEFVSYGCSVZHH-NSISKUIASA-N 2 0 316.489 2.975 20 0 DFADRP CC[C@]1(C)CCC[C@@H]1[NH2+]Cc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000651673577 430845536 /nfs/dbraw/zinc/84/55/36/430845536.db2.gz PEACFPWXOOIYNA-PKOBYXMFSA-N 2 0 316.493 2.892 20 0 DFADRP C[C@@H]1CCCCC[C@@H]1[NH2+]Cc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000651673335 430846212 /nfs/dbraw/zinc/84/62/12/430846212.db2.gz FLNQUYFGXGXSGP-AEFFLSMTSA-N 2 0 316.493 2.892 20 0 DFADRP C[C@H]([NH2+]C[C@H](CO)CC1CC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000658257286 430854247 /nfs/dbraw/zinc/85/42/47/430854247.db2.gz ZEYYRJNDCADNNY-PWIZWCRZSA-N 2 0 316.489 2.895 20 0 DFADRP C[NH+]1CCC(O)(C[NH2+][C@@H]2CCc3ccc(F)c(Cl)c32)CC1 ZINC000651720677 430858317 /nfs/dbraw/zinc/85/83/17/430858317.db2.gz HKWVEHMKUJBILB-CYBMUJFWSA-N 2 0 312.816 2.513 20 0 DFADRP COC[C@@H](CC(C)(C)C)[NH2+]C1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000651719628 430858728 /nfs/dbraw/zinc/85/87/28/430858728.db2.gz ZSHFLBADLLWJBA-NVXWUHKLSA-N 2 0 312.498 2.528 20 0 DFADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]CCc1noc2ccccc12 ZINC000665232237 430862255 /nfs/dbraw/zinc/86/22/55/430862255.db2.gz JCLCTAGZOXDLRZ-GFCCVEGCSA-N 2 0 310.401 2.883 20 0 DFADRP C[C@H]([NH2+]CC1CCC(O)CC1)c1ccc(OCC[NH+](C)C)cc1 ZINC000658285559 430863520 /nfs/dbraw/zinc/86/35/20/430863520.db2.gz XBWVXMMPDQVOAU-HJOIGYKYSA-N 2 0 320.477 2.829 20 0 DFADRP C[C@H]([NH2+]C[C@@H]1CCN(c2ccccc2Cl)C1)[C@H]1CCC[NH2+]1 ZINC000665233270 430864315 /nfs/dbraw/zinc/86/43/15/430864315.db2.gz CTCZWXVLBZWPOU-OFQRWUPVSA-N 2 0 307.869 2.896 20 0 DFADRP C[C@@H]1CC[NH+](C/C=C\C[N@H+]2CC[C@@H](C)O[C@@H](C)C2)C[C@H](C)O1 ZINC000661850637 430865832 /nfs/dbraw/zinc/86/58/32/430865832.db2.gz LTNDWJBNTOOTNX-QXINXSKUSA-N 2 0 310.482 2.541 20 0 DFADRP C[C@@H]1[C@H](O)CCC[N@@H+]1Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000648723995 430871334 /nfs/dbraw/zinc/87/13/34/430871334.db2.gz LCYMPBNDISHDFH-VQIMIIECSA-N 2 0 318.461 2.506 20 0 DFADRP CNC(=O)CC1(C[NH2+][C@@H]2CC[N@H+](C)[C@@H]3CCC[C@@H]32)CCCCC1 ZINC000658307567 430872409 /nfs/dbraw/zinc/87/24/09/430872409.db2.gz LLSHMSCKATWIJA-BRWVUGGUSA-N 2 0 321.509 2.535 20 0 DFADRP COc1ccc(-c2cc(C[NH2+][C@H]3CCC[C@@H]3C[NH3+])on2)cc1 ZINC000665261467 430872700 /nfs/dbraw/zinc/87/27/00/430872700.db2.gz CURAXCFBLRXJTP-CJNGLKHVSA-N 2 0 301.390 2.567 20 0 DFADRP COc1ccc(-c2cc(C[NH2+][C@@H]3CCCC[C@@H]3C[NH3+])on2)cc1 ZINC000665262341 430873896 /nfs/dbraw/zinc/87/38/96/430873896.db2.gz YVQFRJIMLBEWIQ-RHSMWYFYSA-N 2 0 315.417 2.957 20 0 DFADRP CC[NH+](CC)[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)c1ccsc1 ZINC000648733465 430874054 /nfs/dbraw/zinc/87/40/54/430874054.db2.gz VBJNLIUWJGCETE-BMFZPTHFSA-N 2 0 323.506 2.587 20 0 DFADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+][C@H]1COc2cc(F)ccc2C1 ZINC000665266529 430876519 /nfs/dbraw/zinc/87/65/19/430876519.db2.gz DMSJUUXMDFBNMR-BLLLJJGKSA-N 2 0 315.392 2.642 20 0 DFADRP Fc1ccc2c(c1)OC[C@H]([NH2+][C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1)C2 ZINC000665266691 430877068 /nfs/dbraw/zinc/87/70/68/430877068.db2.gz HXJLBKQDROITTA-LTIDMASMSA-N 2 0 304.409 2.640 20 0 DFADRP Cc1nc(C[NH3+])ccc1[C@@H](C)N[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000665267238 430877211 /nfs/dbraw/zinc/87/72/11/430877211.db2.gz SJLJMBSYQCZCQI-NVXWUHKLSA-N 2 0 316.493 2.906 20 0 DFADRP CNC(=O)CC1(C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)CCCCC1 ZINC000665275379 430879651 /nfs/dbraw/zinc/87/96/51/430879651.db2.gz JKMABRFZQGZYJZ-GVDBMIGSSA-N 2 0 321.509 2.583 20 0 DFADRP COc1ccc([C@@H](C)[NH2+]CC[C@@H]([NH3+])C(C)C)cc1NC(C)=O ZINC000665281071 430881753 /nfs/dbraw/zinc/88/17/53/430881753.db2.gz TZABDFHCRSPCRO-IUODEOHRSA-N 2 0 307.438 2.678 20 0 DFADRP Fc1ccc(OC(F)F)c(C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)c1 ZINC000665283860 430882968 /nfs/dbraw/zinc/88/29/68/430882968.db2.gz WJLLYKLEGVWEKL-MISXGVKJSA-N 2 0 314.351 2.905 20 0 DFADRP C[C@@H]([NH2+]C[C@H]1CCN1Cc1ccccc1)C1CC[NH+](C)CC1 ZINC000658349012 430883593 /nfs/dbraw/zinc/88/35/93/430883593.db2.gz QSAAZDHCQJFJER-VQIMIIECSA-N 2 0 301.478 2.581 20 0 DFADRP C[NH2+]CCCC(=O)N1CCC([NH2+][C@H](C)c2ccc(C)s2)CC1 ZINC000665285825 430884735 /nfs/dbraw/zinc/88/47/35/430884735.db2.gz XOWFQEZNVIWPRL-CQSZACIVSA-N 2 0 323.506 2.698 20 0 DFADRP CO[C@@H]1[C@H](C)[C@H]([NH2+]CC2CC[NH+](CC3CC3)CC2)C12CCC2 ZINC000658356936 430885177 /nfs/dbraw/zinc/88/51/77/430885177.db2.gz QJDQJDOXXQZHTH-FHLIZLRMSA-N 2 0 306.494 2.902 20 0 DFADRP CC(C)(C)[NH+]1CCC([NH2+]CC2CC[NH+](CC3CC3)CC2)CC1 ZINC000658355917 430885193 /nfs/dbraw/zinc/88/51/93/430885193.db2.gz LPBRKPKUDYRUJM-UHFFFAOYSA-N 3 0 307.526 2.961 20 0 DFADRP [NH3+][C@H]1CCC[C@H]([NH2+][C@@H]2CCCC[C@H]2NC(=O)c2ccccc2)C1 ZINC000665289761 430886037 /nfs/dbraw/zinc/88/60/37/430886037.db2.gz WPDGSBXYGDIOEE-WNRNVDISSA-N 2 0 315.461 2.587 20 0 DFADRP CCC[C@@H]1CCC[C@H]1[NH2+]C1CCN(C(=O)CCC[NH2+]C)CC1 ZINC000665289264 430887473 /nfs/dbraw/zinc/88/74/73/430887473.db2.gz JWELTXGIRIPWCU-NVXWUHKLSA-N 2 0 309.498 2.535 20 0 DFADRP CC[NH+](CC)CCO[C@@H]1CC[N@H+](Cc2cc3cnccc3o2)C1 ZINC000651647606 430839401 /nfs/dbraw/zinc/83/94/01/430839401.db2.gz XGVSMVVIWMNZGH-MRXNPFEDSA-N 2 0 317.433 2.761 20 0 DFADRP C(C1CC1)[NH+]1CCC(N[C@@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC000658230345 430844514 /nfs/dbraw/zinc/84/45/14/430844514.db2.gz YMQMXWIZDBMLSH-GOSISDBHSA-N 2 0 305.510 2.857 20 0 DFADRP COc1cc(OC)c(C[NH2+]CC[C@@H]2CCC[N@H+](C)C2)cc1F ZINC000651830031 430891316 /nfs/dbraw/zinc/89/13/16/430891316.db2.gz XYKIUMAPGZDMMB-ZDUSSCGKSA-N 2 0 310.413 2.664 20 0 DFADRP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]CC1CC[NH+](CC2CC2)CC1 ZINC000665300125 430891455 /nfs/dbraw/zinc/89/14/55/430891455.db2.gz YRVNIGBYCPRSMB-OXJNMPFZSA-N 3 0 315.505 2.657 20 0 DFADRP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+][C@@H]1CCc2ccccc2-n2ccnc21 ZINC000665299701 430891956 /nfs/dbraw/zinc/89/19/56/430891956.db2.gz ROMGMGMZZHBZIM-GVDBMIGSSA-N 2 0 310.445 2.967 20 0 DFADRP COC[C@@H]1CCCC[N@@H+]1Cc1ccc(OCC[NH+](C)C)cc1 ZINC000648856763 430915450 /nfs/dbraw/zinc/91/54/50/430915450.db2.gz AMOKSHLSLFSDAW-KRWDZBQOSA-N 2 0 306.450 2.628 20 0 DFADRP CC(C)[NH+]1CCN(CCC[NH2+][C@H](C)C2CCC(F)CC2)CC1 ZINC000661997460 430916245 /nfs/dbraw/zinc/91/62/45/430916245.db2.gz ANNWITQPDCUQOA-WWDZGPRUSA-N 2 0 313.505 2.909 20 0 DFADRP CC(C)[NH+](CCNC(=O)C(C)(C)[C@@H]([NH3+])c1ccccc1)C(C)C ZINC000645166974 430922217 /nfs/dbraw/zinc/92/22/17/430922217.db2.gz BZNXGZFPSQRVBB-KRWDZBQOSA-N 2 0 319.493 2.948 20 0 DFADRP CC(C)[NH2+][C@@H]1CCCN(C(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC000648907501 430932214 /nfs/dbraw/zinc/93/22/14/430932214.db2.gz BEFOLZSYAFWRKP-SJLPKXTDSA-N 2 0 321.509 2.773 20 0 DFADRP OC[C@H](CCF)[NH2+][C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000652020149 430937993 /nfs/dbraw/zinc/93/79/93/430937993.db2.gz MJNZOLLHVRDHGX-INDMIFKZSA-N 2 0 320.452 2.597 20 0 DFADRP C[NH2+]Cc1ccccc1NC(=O)NC[C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000659019815 430941346 /nfs/dbraw/zinc/94/13/46/430941346.db2.gz RIUGMVCQPXNRIV-CQSZACIVSA-N 2 0 318.465 2.648 20 0 DFADRP C[NH2+]Cc1cccc(NC(=O)NC[C@H]2CC[N@@H+](C(C)(C)C)C2)c1 ZINC000659018713 430942245 /nfs/dbraw/zinc/94/22/45/430942245.db2.gz LMNNDPZFRMRNKD-OAHLLOKOSA-N 2 0 318.465 2.648 20 0 DFADRP C[NH+]1CCC(O)(C[NH2+][C@@H](c2cccnc2)C2CCCCC2)CC1 ZINC000652153318 430974624 /nfs/dbraw/zinc/97/46/24/430974624.db2.gz GURVQHKUVMVRNG-GOSISDBHSA-N 2 0 317.477 2.749 20 0 DFADRP O[C@H]1CC[N@@H+](C2CC[NH+](CC[C@H]3CCc4ccccc43)CC2)C1 ZINC000662148406 430979437 /nfs/dbraw/zinc/97/94/37/430979437.db2.gz KAPZEGGXCMJYHF-MJGOQNOKSA-N 2 0 314.473 2.638 20 0 DFADRP CC[C@@H](c1ccc(F)cc1)N1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000662153828 430980639 /nfs/dbraw/zinc/98/06/39/430980639.db2.gz CVFHPZDMVUFYFY-ROUUACIJSA-N 2 0 306.425 2.808 20 0 DFADRP CC[N@H+](CCCNC(=O)N[C@@H]1CCCC[C@H]1[NH3+])C1CCCCC1 ZINC000652227368 430994655 /nfs/dbraw/zinc/99/46/55/430994655.db2.gz FEWHMXFJVPERBR-IAGOWNOFSA-N 2 0 324.513 2.600 20 0 DFADRP C[C@@H]1C[N@H+](C[C@H]2CCC3(C[NH2+]C3)O2)CC[C@@H]1c1ccccc1 ZINC000662257543 431019641 /nfs/dbraw/zinc/01/96/41/431019641.db2.gz POTRFTZIJIJPKU-NXHRZFHOSA-N 2 0 300.446 2.633 20 0 DFADRP Cc1ccc([C@@H]2CSCC[N@@H+]2C[C@@H]2CCC3(C[NH2+]C3)O2)cc1 ZINC000662256287 431019700 /nfs/dbraw/zinc/01/97/00/431019700.db2.gz UUNLQYCBXVKKRY-IRXDYDNUSA-N 2 0 318.486 2.606 20 0 DFADRP CN(c1nc(CN2CCC[C@H]([C@H]3CCC[NH2+]3)C2)cs1)C1CC1 ZINC000662265599 431021924 /nfs/dbraw/zinc/02/19/24/431021924.db2.gz RVORIHGVUQRMDT-XJKSGUPXSA-N 2 0 320.506 2.706 20 0 DFADRP CN(c1nc(CN2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)cs1)C1CC1 ZINC000662265594 431022325 /nfs/dbraw/zinc/02/23/25/431022325.db2.gz RVORIHGVUQRMDT-CJNGLKHVSA-N 2 0 320.506 2.706 20 0 DFADRP [NH3+][C@@H]1CCC[C@H]2C[N@H+](CCc3nsc4ccccc43)C[C@@H]21 ZINC000662266194 431022387 /nfs/dbraw/zinc/02/23/87/431022387.db2.gz KMNREYPYPVGZMG-AEGPPILISA-N 2 0 301.459 2.898 20 0 DFADRP Cn1ccnc1C[N@H+](CCCC1CCC1)[C@H]1CC12CC[NH2+]CC2 ZINC000662269548 431024819 /nfs/dbraw/zinc/02/48/19/431024819.db2.gz GLQMPAZHQPELSU-KRWDZBQOSA-N 2 0 316.493 2.945 20 0 DFADRP [NH3+][C@@H]1CCO[C@H]([C@H]2CCC[N@H+](CCCc3cccc(F)c3)C2)C1 ZINC000652349471 431027070 /nfs/dbraw/zinc/02/70/70/431027070.db2.gz PHLBVHNNUYXTQE-UHOSZYNNSA-N 2 0 320.452 2.977 20 0 DFADRP CCc1ccccc1C[N@@H+]1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000652349214 431027341 /nfs/dbraw/zinc/02/73/41/431027341.db2.gz FYOLGGDLUDQBJI-FHWLQOOXSA-N 2 0 302.462 2.967 20 0 DFADRP Cc1cc(C[N@@H+]2CCCC[C@@H]2[C@H](C[NH3+])Cc2ccccc2)ncn1 ZINC000662271714 431028215 /nfs/dbraw/zinc/02/82/15/431028215.db2.gz YOABRJXSYVEQBO-AZUAARDMSA-N 2 0 324.472 2.957 20 0 DFADRP [NH3+]CCC[N@H+](Cc1ccccc1)Cc1cccc2c1CC[NH2+]C2 ZINC000662271029 431028313 /nfs/dbraw/zinc/02/83/13/431028313.db2.gz DUJMLUBVOPJLJH-UHFFFAOYSA-N 3 0 309.457 2.683 20 0 DFADRP Cc1ccc(C)c(NC(=O)[C@H](C)N2C[C@@H]3CCC[C@]3(C[NH3+])C2)c1 ZINC000652350996 431028695 /nfs/dbraw/zinc/02/86/95/431028695.db2.gz CPVBYHQMENTNGW-BXWFABGCSA-N 2 0 315.461 2.691 20 0 DFADRP c1ccc(COCC[N@@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)cc1 ZINC000662271990 431028875 /nfs/dbraw/zinc/02/88/75/431028875.db2.gz ASVAIIFLUFFOSG-OALUTQOASA-N 2 0 302.462 2.915 20 0 DFADRP Cc1c(F)cccc1NC(=O)CC[N@H+]1CCC[C@H](C)[C@@H]1CC[NH3+] ZINC000652355202 431029776 /nfs/dbraw/zinc/02/97/76/431029776.db2.gz QVIJBIWHSWKVCY-GUYCJALGSA-N 2 0 321.440 2.912 20 0 DFADRP COc1ccc(COCC[N@@H+]2CCC[C@@H](C)[C@@H]2CC[NH3+])cc1 ZINC000652354831 431030000 /nfs/dbraw/zinc/03/00/00/431030000.db2.gz JMRIXBMAMBBRLN-QAPCUYQASA-N 2 0 306.450 2.661 20 0 DFADRP COc1cccc(SCC[N@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)c1 ZINC000662274732 431029998 /nfs/dbraw/zinc/02/99/98/431029998.db2.gz WITXHQXPNYXSBO-GASCZTMLSA-N 2 0 306.475 2.719 20 0 DFADRP c1cc(C[NH+]2CCC([C@H]3CCCO3)CC2)c2c(c1)C[NH2+]CC2 ZINC000662276736 431030116 /nfs/dbraw/zinc/03/01/16/431030116.db2.gz LUEZTGLPFBSWRE-LJQANCHMSA-N 2 0 300.446 2.723 20 0 DFADRP c1cc(C[N@@H+]2CCC[C@H]2[C@@H]2CCCOC2)c2c(c1)C[NH2+]CC2 ZINC000662284637 431032229 /nfs/dbraw/zinc/03/22/29/431032229.db2.gz YNPPJHRJBXXPGJ-MJGOQNOKSA-N 2 0 300.446 2.723 20 0 DFADRP C[C@@H]1CN(Cc2nc(C(C)(C)[NH3+])no2)CCc2ccc(F)cc21 ZINC000652363577 431032212 /nfs/dbraw/zinc/03/22/12/431032212.db2.gz IKIZXWYDFJGJIJ-LLVKDONJSA-N 2 0 318.396 2.564 20 0 DFADRP C[C@@H]1CCCC[C@@H]1OCC[N@@H+]1CCCC[C@@H]1[C@H]1C[C@@H]([NH3+])CCO1 ZINC000652361832 431032450 /nfs/dbraw/zinc/03/24/50/431032450.db2.gz QKFBLLGUMGBGLF-MTHXSQLBSA-N 2 0 324.509 2.943 20 0 DFADRP CO[C@H](C[NH+]1CCC([C@@H]2C[C@@H]([NH3+])CCO2)CC1)c1ccccc1 ZINC000662282099 431033039 /nfs/dbraw/zinc/03/30/39/431033039.db2.gz RSVMQMVJJSKPJM-GBESFXJTSA-N 2 0 318.461 2.592 20 0 DFADRP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCC[N@@H+]2CCOc2ccc(F)cc2)C1 ZINC000652360789 431033151 /nfs/dbraw/zinc/03/31/51/431033151.db2.gz QJSNTBUHJWKBAN-NJAFHUGGSA-N 2 0 322.424 2.565 20 0 DFADRP CN(C)c1ccccc1C[N@@H+]1CCCC[C@@H]1[C@H]1C[C@H]([NH3+])CCO1 ZINC000652363823 431033273 /nfs/dbraw/zinc/03/32/73/431033273.db2.gz OWPPWJMXTUHNPG-BHIYHBOVSA-N 2 0 317.477 2.613 20 0 DFADRP Cc1ccc(C[N@@H+]2CCCC[C@@H]2[C@@H]2C[C@@H]([NH3+])CCO2)c(C)n1 ZINC000652364144 431033562 /nfs/dbraw/zinc/03/35/62/431033562.db2.gz ZLZVKNQIUIXLLL-KSZLIROESA-N 2 0 303.450 2.559 20 0 DFADRP CC(C)C[C@H](C)N(C)C(=O)C[NH+]1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000662291000 431034423 /nfs/dbraw/zinc/03/44/23/431034423.db2.gz AZKZOQAJOYNIOB-WMZOPIPTSA-N 2 0 323.525 2.591 20 0 DFADRP CO[C@H](C[N@@H+]1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1)C1CCCCC1 ZINC000662286183 431034955 /nfs/dbraw/zinc/03/49/55/431034955.db2.gz PJQHGVBJIUVONS-INDMIFKZSA-N 2 0 324.509 2.800 20 0 DFADRP Fc1ccc(OCC[NH+]2CCC([C@H]3CCC[NH2+]C3)CC2)cc1 ZINC000662290576 431035510 /nfs/dbraw/zinc/03/55/10/431035510.db2.gz WUGSWOORVDYMIN-INIZCTEOSA-N 2 0 306.425 2.916 20 0 DFADRP CC(C)c1noc([C@H](C)[N@@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)n1 ZINC000662295908 431037152 /nfs/dbraw/zinc/03/71/52/431037152.db2.gz IQWYIGPLHSVWEF-ZFWWWQNUSA-N 2 0 306.454 2.966 20 0 DFADRP Cn1cc(C[C@H]2CCC[C@H]2[NH2+]Cc2ccc3c(c2)C[NH2+]CC3)cn1 ZINC000662311555 431042274 /nfs/dbraw/zinc/04/22/74/431042274.db2.gz UKHNTQREGGDIQO-UYAOXDASSA-N 2 0 324.472 2.567 20 0 DFADRP Cc1ccc(NC(=O)C[N@H+]2CCC[C@@H](C)[C@H]2CCC[NH3+])c(F)c1 ZINC000662313015 431042438 /nfs/dbraw/zinc/04/24/38/431042438.db2.gz FIIKYYAXKCLLPZ-RHSMWYFYSA-N 2 0 321.440 2.912 20 0 DFADRP CN(c1ccccc1)[C@@H]1CC[N@H+](CCCC2CC[NH2+]CC2)C1 ZINC000662318424 431044250 /nfs/dbraw/zinc/04/42/50/431044250.db2.gz ZTYGFLHHXDGQOI-LJQANCHMSA-N 2 0 301.478 2.977 20 0 DFADRP C[C@@H]1CCC[N@H+](CC(=O)N(C)[C@H]2CCCC[C@@H]2C)[C@@H]1CCC[NH3+] ZINC000662313586 431044401 /nfs/dbraw/zinc/04/44/01/431044401.db2.gz IZZSBBIRSBHGKF-XWTMOSNGSA-N 2 0 323.525 2.863 20 0 DFADRP CCc1ccc(CC[N@@H+]2CCO[C@H](CCC[NH+](C)C)C2)cc1 ZINC000662322669 431047411 /nfs/dbraw/zinc/04/74/11/431047411.db2.gz WSEMLHLSUFGVCG-LJQANCHMSA-N 2 0 304.478 2.834 20 0 DFADRP C[NH+](C)CCC[C@H]1C[N@H+](CCCCC2CCOCC2)CCO1 ZINC000662324509 431048109 /nfs/dbraw/zinc/04/81/09/431048109.db2.gz XCVLTOKOAPYJFF-SFHVURJKSA-N 2 0 312.498 2.626 20 0 DFADRP [NH3+][C@@H](Cc1ccccc1)[C@@H](O)C[N@@H+]1CC2CC1(c1ccccc1)C2 ZINC000662328244 431048558 /nfs/dbraw/zinc/04/85/58/431048558.db2.gz PSQRFUSWGLSDBZ-WWFYLNGCSA-N 2 0 322.452 2.538 20 0 DFADRP COCC[C@H](c1ccccc1)[N@@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000662326424 431048814 /nfs/dbraw/zinc/04/88/14/431048814.db2.gz ZGIWECFOZXPWGY-RTBURBONSA-N 2 0 320.477 2.807 20 0 DFADRP C[C@H]1C[N@H+](CCCC2CC[NH2+]CC2)C[C@H](CC(F)(F)F)O1 ZINC000662326320 431049818 /nfs/dbraw/zinc/04/98/18/431049818.db2.gz RHLDBVUZFHVWMU-JSGCOSHPSA-N 2 0 308.388 2.808 20 0 DFADRP CCc1nccn1[C@@H](C)CC(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000665857644 431051638 /nfs/dbraw/zinc/05/16/38/431051638.db2.gz BDRPWUVJOJPKAP-ZDUSSCGKSA-N 2 0 320.481 2.822 20 0 DFADRP CC[C@@H]([NH2+]C)C(=O)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000662343047 431052731 /nfs/dbraw/zinc/05/27/31/431052731.db2.gz OAKDETMDZRQUJD-HZPDHXFCSA-N 2 0 323.868 2.591 20 0 DFADRP [NH3+][C@@H](C(=O)NCCC[NH+]1CCCCCC1)c1cccc(Cl)c1 ZINC000649278649 431055848 /nfs/dbraw/zinc/05/58/48/431055848.db2.gz TVRQAAXRELFJGF-MRXNPFEDSA-N 2 0 323.868 2.722 20 0 DFADRP CC[NH+](CC)Cc1cccc(CNC(=O)[C@@H]2CCC[C@H]2C[NH3+])c1 ZINC000649290032 431057791 /nfs/dbraw/zinc/05/77/91/431057791.db2.gz QIUZWZWPISIOAG-ZWKOTPCHSA-N 2 0 317.477 2.520 20 0 DFADRP C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)C2CCC([NH3+])CC2)C1 ZINC000649311543 431062204 /nfs/dbraw/zinc/06/22/04/431062204.db2.gz YIXZUVHFLQXOIZ-VYMRPNJYSA-N 2 0 321.509 2.617 20 0 DFADRP CC(C)[NH2+]CC(=O)NCc1ccc(C[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000662387206 431068771 /nfs/dbraw/zinc/06/87/71/431068771.db2.gz JHKNJILIQBDKEE-INIZCTEOSA-N 2 0 317.477 2.675 20 0 DFADRP [NH3+]CCCOC1CC[NH+](CC[C@H]2CCc3ccccc32)CC1 ZINC000662247863 431012766 /nfs/dbraw/zinc/01/27/66/431012766.db2.gz NIKWAWJFFARCOM-QGZVFWFLSA-N 2 0 302.462 2.936 20 0 DFADRP c1ccc([C@H]2C[N@H+](Cc3cccc4c3CC[NH2+]C4)CCO2)cc1 ZINC000662249470 431012869 /nfs/dbraw/zinc/01/28/69/431012869.db2.gz UPVLNEGSFDUDIR-HXUWFJFHSA-N 2 0 308.425 2.906 20 0 DFADRP C[N@@H+](Cc1cccc(C(F)(F)F)c1)C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662253912 431015441 /nfs/dbraw/zinc/01/54/41/431015441.db2.gz YODODARVNCUMHC-AWEZNQCLSA-N 2 0 314.351 2.658 20 0 DFADRP Clc1ccccc1[C@H]1CCC[N@@H+]1C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662250278 431016299 /nfs/dbraw/zinc/01/62/99/431016299.db2.gz CZCORYSBBLBCOD-CZUORRHYSA-N 2 0 306.837 2.998 20 0 DFADRP Clc1ccccc1[C@H]1CCC[N@@H+]1C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662250279 431016373 /nfs/dbraw/zinc/01/63/73/431016373.db2.gz CZCORYSBBLBCOD-XJKSGUPXSA-N 2 0 306.837 2.998 20 0 DFADRP CCC[N@H+](CCc1cccc(F)c1)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662254383 431016661 /nfs/dbraw/zinc/01/66/61/431016661.db2.gz HULKHMZHDLAXKK-QGZVFWFLSA-N 2 0 306.425 2.601 20 0 DFADRP C[C@H]1CCC[N@H+](Cc2ccc(NC(=O)[C@@H]3[NH2+]CC3(C)C)cc2)C1 ZINC000645502749 431017555 /nfs/dbraw/zinc/01/75/55/431017555.db2.gz MJOJCHHPMYZOOJ-YOEHRIQHSA-N 2 0 315.461 2.855 20 0 DFADRP CCO[C@H]1C[C@@H]([N@H+](C)Cc2cccc3c2CC[NH2+]C3)C1(C)C ZINC000662258337 431018535 /nfs/dbraw/zinc/01/85/35/431018535.db2.gz ZPKUFACNUJDSOD-MSOLQXFVSA-N 2 0 302.462 2.968 20 0 DFADRP c1cc(CN2CCC[C@H]2C[NH+]2CCCCC2)c2c(c1)C[NH2+]CC2 ZINC000662259897 431018638 /nfs/dbraw/zinc/01/86/38/431018638.db2.gz DJHBIBOOODKFND-IBGZPJMESA-N 2 0 313.489 2.783 20 0 DFADRP C[C@@H]1C[C@@H]([NH2+]CCc2ccc3c(c2)OC(F)(F)O3)CC[N@@H+]1C ZINC000652315503 431019060 /nfs/dbraw/zinc/01/90/60/431019060.db2.gz WRQCQKNTIDEZAD-YPMHNXCESA-N 2 0 312.360 2.623 20 0 DFADRP Cc1ccccc1C[C@@H]1CCC[N@@H+]1C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662258122 431019279 /nfs/dbraw/zinc/01/92/79/431019279.db2.gz SCGYBKRWJNMUNQ-ZWKOTPCHSA-N 2 0 300.446 2.523 20 0 DFADRP COc1ccc([C@H](C)[NH2+]CC(C)(C)N2CC[NH+](C)CC2)c(C)c1 ZINC000666082378 431109786 /nfs/dbraw/zinc/10/97/86/431109786.db2.gz XAVXQTSJMQCQLR-INIZCTEOSA-N 2 0 319.493 2.680 20 0 DFADRP Cc1cc(C[NH+](C)C)cc(NC2CC[NH+]([C@H]3CCOC3)CC2)c1 ZINC000655749108 431112202 /nfs/dbraw/zinc/11/22/02/431112202.db2.gz PJMWNIBBHILUIY-IBGZPJMESA-N 2 0 317.477 2.722 20 0 DFADRP CCC(C)(C)[NH+]1CCN(C(=O)C[C@@H]2[NH2+]Cc3ccccc32)CC1 ZINC000662585237 431123835 /nfs/dbraw/zinc/12/38/35/431123835.db2.gz SYUFZGNKALELFO-KRWDZBQOSA-N 2 0 315.461 2.554 20 0 DFADRP [NH3+][C@@H](CC1CCCCC1)C(=O)N1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000662587492 431125097 /nfs/dbraw/zinc/12/50/97/431125097.db2.gz GBPFTOLQDRYYRU-ROUUACIJSA-N 2 0 321.509 2.522 20 0 DFADRP CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)[C@@H]([NH3+])c1cccc(Cl)c1 ZINC000649341788 431071344 /nfs/dbraw/zinc/07/13/44/431071344.db2.gz XCWORPCQYWKOMW-CVEARBPZSA-N 2 0 323.868 2.673 20 0 DFADRP [NH3+]CC1(CC(=O)N2CCC[C@H](C3CC[NH2+]CC3)C2)CCCCC1 ZINC000662593145 431125172 /nfs/dbraw/zinc/12/51/72/431125172.db2.gz JSJIWJRSAHJYIC-KRWDZBQOSA-N 2 0 321.509 2.524 20 0 DFADRP CC(C)C[C@H](C[NH3+])CC(=O)NC[C@@H]([NH3+])c1ccc(C(C)C)cc1 ZINC000662410757 431074095 /nfs/dbraw/zinc/07/40/95/431074095.db2.gz NIFSRQMAHKIQIT-MAUKXSAKSA-N 2 0 319.493 2.937 20 0 DFADRP Cc1ccc([C@H](CNC(=O)C[C@@H](C[NH3+])CC(C)C)[NH+](C)C)cc1 ZINC000662418955 431076420 /nfs/dbraw/zinc/07/64/20/431076420.db2.gz YVNMFTVEXXZCNW-WMZOPIPTSA-N 2 0 319.493 2.725 20 0 DFADRP CC[C@@H]([NH2+]C)C(=O)NCc1cccc(C[NH+]2CCCCCC2)c1 ZINC000662425395 431078605 /nfs/dbraw/zinc/07/86/05/431078605.db2.gz HOYZIHSVWKCVLB-GOSISDBHSA-N 2 0 317.477 2.677 20 0 DFADRP CC[NH+](CC)Cc1ccc(C(=O)N[C@@H]2CC[NH2+]C3(CCC3)C2)o1 ZINC000649370350 431078613 /nfs/dbraw/zinc/07/86/13/431078613.db2.gz MDMGZTIOQKPADY-CQSZACIVSA-N 2 0 319.449 2.526 20 0 DFADRP CC[NH+](CC)CCn1ccc2cc(NC(=O)C[C@H](C)[NH3+])ccc21 ZINC000645810684 431078760 /nfs/dbraw/zinc/07/87/60/431078760.db2.gz SUTKIMWVYFZCBI-AWEZNQCLSA-N 2 0 316.449 2.659 20 0 DFADRP CC(C)[C@H]([NH3+])CCN(C)C(=O)c1ccc2c(c1)[C@@H](C[NH3+])CCC2 ZINC000662427862 431078943 /nfs/dbraw/zinc/07/89/43/431078943.db2.gz MDCUCJRGOVAZNY-SJLPKXTDSA-N 2 0 317.477 2.511 20 0 DFADRP CC(C)[C@@H]([NH3+])CCN(C)C(=O)c1ccc2c(c1)[C@H](C[NH3+])CCC2 ZINC000662427867 431080376 /nfs/dbraw/zinc/08/03/76/431080376.db2.gz MDCUCJRGOVAZNY-WMZOPIPTSA-N 2 0 317.477 2.511 20 0 DFADRP CC[C@H](C)[N@H+](C)CCNC(=O)c1ccc2c(c1)[C@H](C[NH3+])CCC2 ZINC000662438735 431081665 /nfs/dbraw/zinc/08/16/65/431081665.db2.gz ASMBYTGDYGFNQT-YOEHRIQHSA-N 2 0 317.477 2.525 20 0 DFADRP COc1ccccc1[C@@H](C)[NH2+]C1CCN([C@@H]2CCOC2)CC1 ZINC000655693321 431086027 /nfs/dbraw/zinc/08/60/27/431086027.db2.gz XGOXFTZKWGVNCD-GDBMZVCRSA-N 2 0 304.434 2.599 20 0 DFADRP CC[N@H+](CCCNC(=O)NCC1([NH3+])CCCC1)C1CCCCC1 ZINC000659560318 431087316 /nfs/dbraw/zinc/08/73/16/431087316.db2.gz XTJDRIAVRMLYAX-UHFFFAOYSA-N 2 0 324.513 2.602 20 0 DFADRP CC[NH+]1CCC(NCc2cn(-c3ccccc3F)nc2C)CC1 ZINC000655712347 431094140 /nfs/dbraw/zinc/09/41/40/431094140.db2.gz JAHQRUDYCKBOBS-UHFFFAOYSA-N 2 0 316.424 2.894 20 0 DFADRP CC1CCC([NH+]2CCN(CCCC3CC[NH2+]CC3)CC2)CC1 ZINC000649413595 431094190 /nfs/dbraw/zinc/09/41/90/431094190.db2.gz OJINTFNDGUTBSG-UHFFFAOYSA-N 2 0 307.526 2.963 20 0 DFADRP Cn1c2ccccc2nc1C[N@H+](C)CCCC1CC[NH2+]CC1 ZINC000649413540 431094696 /nfs/dbraw/zinc/09/46/96/431094696.db2.gz FKTQACSYVUGBLA-UHFFFAOYSA-N 2 0 300.450 2.785 20 0 DFADRP CC[N@@H+]1CC[C@@H](CNCc2cn(-c3ccc(C)cc3)nc2C)C1 ZINC000655711402 431094936 /nfs/dbraw/zinc/09/49/36/431094936.db2.gz JPCXEKSXPNPHGN-KRWDZBQOSA-N 2 0 312.461 2.921 20 0 DFADRP Cc1cccc(NC[C@@H]2CC[N@H+](CCCC3CC[NH2+]CC3)C2)n1 ZINC000649414497 431095327 /nfs/dbraw/zinc/09/53/27/431095327.db2.gz CDGDNJCCLOXTAI-SFHVURJKSA-N 2 0 316.493 2.904 20 0 DFADRP Cc1ccc2nc(C[N@@H+]3CCC[C@H]([C@H]4CCC[NH2+]C4)C3)cn2c1 ZINC000649417798 431095422 /nfs/dbraw/zinc/09/54/22/431095422.db2.gz HFRDUCQBQDCMLA-IRXDYDNUSA-N 2 0 312.461 2.854 20 0 DFADRP Cc1cccc2nc(C[N@@H+]3CCC[C@H]([C@H]4CCC[NH2+]C4)C3)cn21 ZINC000649418047 431096440 /nfs/dbraw/zinc/09/64/40/431096440.db2.gz XOULZRHSYLVDMQ-IRXDYDNUSA-N 2 0 312.461 2.854 20 0 DFADRP Cc1cc2c(c(C)c1)[C@@H]([NH2+]CCCN1CCC[N@@H+](C)CC1)CC2 ZINC000655715902 431097327 /nfs/dbraw/zinc/09/73/27/431097327.db2.gz JPOHFJJCDNGJRO-IBGZPJMESA-N 2 0 315.505 2.908 20 0 DFADRP CC[NH2+]Cc1ccccc1NC(=O)N(C)CC[NH+]1CCCCC1 ZINC000652610741 431100150 /nfs/dbraw/zinc/10/01/50/431100150.db2.gz KDOQPHXNWIFYBR-UHFFFAOYSA-N 2 0 318.465 2.746 20 0 DFADRP C[NH+](C)[C@H](CNC(=O)C[C@@H]1[NH2+]Cc2ccccc21)c1ccccc1 ZINC000662523165 431105260 /nfs/dbraw/zinc/10/52/60/431105260.db2.gz JKLILGIQWSNAFP-RBUKOAKNSA-N 2 0 323.440 2.640 20 0 DFADRP C[C@H]1CC[C@@H]([NH2+]Cc2ccncc2OCCC[NH+](C)C)CS1 ZINC000655767907 431129400 /nfs/dbraw/zinc/12/94/00/431129400.db2.gz MXIGLMSWJSECQM-GOEBONIOSA-N 2 0 323.506 2.786 20 0 DFADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]C[C@@H](c1ccc(F)cc1)N(C)C ZINC000124806977 288103493 /nfs/dbraw/zinc/10/34/93/288103493.db2.gz VAOZAMPYGWQFCR-KNCCTNLNSA-N 2 0 307.457 2.747 20 0 DFADRP CC[NH+](CC)[C@@H](CNC(=O)[C@@H]1CCCC[N@@H+]1CC)CC(C)C ZINC000353847291 279146947 /nfs/dbraw/zinc/14/69/47/279146947.db2.gz SZZFNUPSNBNJHF-SJORKVTESA-N 2 0 311.514 2.734 20 0 DFADRP CC[NH+](CC)[C@H](C(=O)N[C@@H](C)[C@H]1CCC[NH2+]C1)c1ccccc1 ZINC000269202922 279153961 /nfs/dbraw/zinc/15/39/61/279153961.db2.gz NFAIDYBQDQTLTQ-SZMVWBNQSA-N 2 0 317.477 2.574 20 0 DFADRP CC[N@H+](CCC1CC[NH2+]CC1)Cc1ccc(C(=O)N(C)C)cc1 ZINC000359200561 279176972 /nfs/dbraw/zinc/17/69/72/279176972.db2.gz FXMGNVYQEHGFFJ-UHFFFAOYSA-N 2 0 317.477 2.600 20 0 DFADRP C[C@H](C(=O)N(CCC[NH3+])CC1CCCC1)[C@H]([NH3+])c1ccccc1 ZINC000357353239 279186922 /nfs/dbraw/zinc/18/69/22/279186922.db2.gz LILQGWQVGGAZPU-YJBOKZPZSA-N 2 0 317.477 2.690 20 0 DFADRP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@H](C)c1cc2c(s1)CCC2 ZINC000155018937 279312914 /nfs/dbraw/zinc/31/29/14/279312914.db2.gz PHRRZCRNXSIJAN-ZIAGYGMSSA-N 2 0 307.507 2.523 20 0 DFADRP CCCC[N@H+](C)CC1CC[NH+](CCO[C@@H]2CC2(F)F)CC1 ZINC000659847743 431142602 /nfs/dbraw/zinc/14/26/02/431142602.db2.gz QMQLGFYMFZRSEK-OAHLLOKOSA-N 2 0 304.425 2.855 20 0 DFADRP COCC1(C[NH2+][C@@H](C)c2ccc(OCC[NH+](C)C)cc2)CC1 ZINC000655818010 431163971 /nfs/dbraw/zinc/16/39/71/431163971.db2.gz PEZNCLHJVPIJQK-HNNXBMFYSA-N 2 0 306.450 2.704 20 0 DFADRP C[C@@H](C(=O)N[C@@H](C)C[NH+]1CCC(C)CC1)[C@H]([NH3+])c1ccccc1 ZINC000662693686 431164813 /nfs/dbraw/zinc/16/48/13/431164813.db2.gz LJFKOMIRLJXRNA-JZXOWHBKSA-N 2 0 317.477 2.559 20 0 DFADRP C[C@H]([NH2+][C@H]1CCN(c2ccc(F)cc2)C1)C1CC[NH+](C)CC1 ZINC000666269220 431170147 /nfs/dbraw/zinc/17/01/47/431170147.db2.gz JJEBWHLGNAIHCJ-YOEHRIQHSA-N 2 0 305.441 2.724 20 0 DFADRP C[NH+](C)[C@H]1C[C@@H](C[NH2+]Cc2cccc(O)c2Br)C1 ZINC000655824307 431172252 /nfs/dbraw/zinc/17/22/52/431172252.db2.gz IOAOFMJDYCKHQI-KLPPZKSPSA-N 2 0 313.239 2.585 20 0 DFADRP Cc1ccc(NC(=O)c2cccc3c2CC[NH2+]C3)c(C[NH+](C)C)c1 ZINC000662734230 431178170 /nfs/dbraw/zinc/17/81/70/431178170.db2.gz DMMVDZIJSFSUQB-UHFFFAOYSA-N 2 0 323.440 2.955 20 0 DFADRP Cc1ccc(C[NH+](C)C)cc1NC(=O)C1([NH3+])CC2(CCC2)C1 ZINC000662747259 431183781 /nfs/dbraw/zinc/18/37/81/431183781.db2.gz RPQZWSKJFXYDRX-UHFFFAOYSA-N 2 0 301.434 2.657 20 0 DFADRP Cc1ccc(C[NH+](C)C)cc1NC(=O)C1([NH2+]C2CC2)CCC1 ZINC000662747000 431184228 /nfs/dbraw/zinc/18/42/28/431184228.db2.gz PSLKLIQQYZGTAF-UHFFFAOYSA-N 2 0 301.434 2.670 20 0 DFADRP C[NH+]1CCC2(CC1)C[N@H+](C[C@H]1CCc3ccccc3C1)CCO2 ZINC000646105737 431186514 /nfs/dbraw/zinc/18/65/14/431186514.db2.gz GAJQBUCRTYMVAB-KRWDZBQOSA-N 2 0 314.473 2.588 20 0 DFADRP CCC[C@H](O)C[N@H+](C)C[C@H]1CC[NH+](Cc2ccc(C)s2)C1 ZINC000649603342 431190905 /nfs/dbraw/zinc/19/09/05/431190905.db2.gz HXKNEPQUKVTCOP-CVEARBPZSA-N 2 0 310.507 2.971 20 0 DFADRP C[C@H]1CN(C[C@H]2CCC[N@@H+]2C)CC[NH+](Cc2ccccc2)C1 ZINC000649622794 431201877 /nfs/dbraw/zinc/20/18/77/431201877.db2.gz UWYKVESXIKDOEZ-IEBWSBKVSA-N 2 0 301.478 2.535 20 0 DFADRP Cc1ccc(C[NH+]2CC[C@@H](C[N@@H+](C)C[C@@H](O)C(C)C)C2)s1 ZINC000649603422 431192202 /nfs/dbraw/zinc/19/22/02/431192202.db2.gz MALNQVFUCZEVBT-DOTOQJQBSA-N 2 0 310.507 2.827 20 0 DFADRP CC(C)=CCC[NH+]1CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC1 ZINC000659941911 431199882 /nfs/dbraw/zinc/19/98/82/431199882.db2.gz FLAHARLFWGVENO-UHFFFAOYSA-N 2 0 323.525 2.759 20 0 DFADRP COc1ccc2c(c1)CCC[C@@H]2N(C)C[C@@H](O)C[N@H+](C)C(C)C ZINC000659858462 431153865 /nfs/dbraw/zinc/15/38/65/431153865.db2.gz DNWALDRGAZIRGI-LPHOPBHVSA-N 2 0 320.477 2.706 20 0 DFADRP C[C@H]1[C@H]([NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)CCCN1Cc1ccccc1 ZINC000655804414 431154073 /nfs/dbraw/zinc/15/40/73/431154073.db2.gz YKJVNJGNTVHVNK-IJXRJRJASA-N 2 0 315.505 2.969 20 0 DFADRP C[C@H](CC(=O)N[C@H]1CC[N@@H+](C2CCCCC2)C1)[C@H]1CCC[NH2+]C1 ZINC000662667886 431157036 /nfs/dbraw/zinc/15/70/36/431157036.db2.gz DXWDNGLZWIAOPF-IKGGRYGDSA-N 2 0 321.509 2.535 20 0 DFADRP [NH3+][C@@H](CC1CCCCC1)C(=O)N[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000662668154 431157351 /nfs/dbraw/zinc/15/73/51/431157351.db2.gz IKJINZRZKPCNFB-WMZOPIPTSA-N 2 0 321.509 2.807 20 0 DFADRP C[C@H](CC(=O)N[C@@H]1CC[N@@H+](C2CCCCC2)C1)C1CC[NH2+]CC1 ZINC000662669458 431157554 /nfs/dbraw/zinc/15/75/54/431157554.db2.gz ZNFKQPAGONGTHO-NVXWUHKLSA-N 2 0 321.509 2.535 20 0 DFADRP [NH3+][C@H](CC(=O)N[C@@H]1CC[N@@H+](C2CCCCC2)C1)c1ccccc1 ZINC000662668547 431157665 /nfs/dbraw/zinc/15/76/65/431157665.db2.gz OOPFMQILKYVBRF-SJLPKXTDSA-N 2 0 315.461 2.600 20 0 DFADRP C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)CC1([NH3+])CC1 ZINC000662675970 431158976 /nfs/dbraw/zinc/15/89/76/431158976.db2.gz RTBKPCZNNKHZLI-OAHLLOKOSA-N 2 0 315.461 2.559 20 0 DFADRP C[C@@H]1CCC[N@H+](Cc2ccc(NC(=O)CC3([NH3+])CC3)cc2)C1 ZINC000662676431 431159464 /nfs/dbraw/zinc/15/94/64/431159464.db2.gz VLJMBKVYIWNKHY-CQSZACIVSA-N 2 0 301.434 2.738 20 0 DFADRP C[NH2+]Cc1cccc(NC(=O)N[C@H]2CCC[N@@H+]3CCCC[C@H]23)c1 ZINC000655907678 431211557 /nfs/dbraw/zinc/21/15/57/431211557.db2.gz MDJQYBKNKGKIEG-DLBZAZTESA-N 2 0 316.449 2.544 20 0 DFADRP CC[C@@H]1C[N@@H+]2CCCC[C@H]2CN1C(=O)c1ccc([C@H](C)[NH3+])cc1 ZINC000646193913 431223132 /nfs/dbraw/zinc/22/31/32/431223132.db2.gz GWDDJNNQMXROLL-QGTPRVQTSA-N 2 0 315.461 2.795 20 0 DFADRP c1cc2c(cc1C[N@@H+]1CCC[C@@H](OC3CCC3)C1)C[NH2+]CC2 ZINC000655945938 431226179 /nfs/dbraw/zinc/22/61/79/431226179.db2.gz IBHBJUOBOBBUAW-LJQANCHMSA-N 2 0 300.446 2.866 20 0 DFADRP CCc1csc(CC2CC[NH+](CC[C@@H]3CC[NH2+]C3)CC2)n1 ZINC000655948095 431226504 /nfs/dbraw/zinc/22/65/04/431226504.db2.gz XZHXBYNFDRXREU-HNNXBMFYSA-N 2 0 307.507 2.960 20 0 DFADRP C[C@@H]1C[C@H](C[NH2+]Cc2ccc(OCC[NH+](C)C)cc2)[C@H](C)O1 ZINC000666429288 431227347 /nfs/dbraw/zinc/22/73/47/431227347.db2.gz KWHGEMNLNVWXGI-HLLBOEOZSA-N 2 0 306.450 2.530 20 0 DFADRP C[NH+](C)CCNC(=O)C1CC[NH+](C[C@@H]2CCCCC2(C)C)CC1 ZINC000660056948 431248963 /nfs/dbraw/zinc/24/89/63/431248963.db2.gz MFHRNLKCYKRQMV-KRWDZBQOSA-N 2 0 323.525 2.593 20 0 DFADRP Cc1cc(CN2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)nc(C)n1 ZINC000660116203 431276605 /nfs/dbraw/zinc/27/66/05/431276605.db2.gz WSHMHKCJXMSGGP-QAPCUYQASA-N 2 0 300.450 2.542 20 0 DFADRP C[N@@H+](Cc1cccc(C[NH+]2CCCCC2)c1)C[C@@H](O)C1CC1 ZINC000663076608 431279283 /nfs/dbraw/zinc/27/92/83/431279283.db2.gz IYZWXUBAEJPFSU-LJQANCHMSA-N 2 0 302.462 2.875 20 0 DFADRP C[NH+](C)CC[C@@H](N)C(=O)NCC1(C2CCCCC2)CCCCC1 ZINC000653158950 431286198 /nfs/dbraw/zinc/28/61/98/431286198.db2.gz QCZGWPSARVCXGN-QGZVFWFLSA-N 2 0 323.525 2.912 20 0 DFADRP [NH3+][C@H](CC1CCCCC1)C(=O)N1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000646375401 431286196 /nfs/dbraw/zinc/28/61/96/431286196.db2.gz FGTAEYHHNOUCRP-KZNAEPCWSA-N 2 0 321.509 2.522 20 0 DFADRP CSc1cccc(C[N@H+](C)CCN(C)C2CC[NH+](C)CC2)c1 ZINC000660138987 431288401 /nfs/dbraw/zinc/28/84/01/431288401.db2.gz DXKPAJUMIDIHML-UHFFFAOYSA-N 2 0 321.534 2.866 20 0 DFADRP C[C@H]([NH2+][C@@H]1CCC[C@@H]([NH3+])C1)c1ccc(NC(=O)C2CC2)cc1 ZINC000656196920 431304479 /nfs/dbraw/zinc/30/44/79/431304479.db2.gz VWABQPJKOWUPLI-XGWLTEMNSA-N 2 0 301.434 2.956 20 0 DFADRP CC[N@H+](CCCNC(=O)C1(C[NH3+])CCCC1)C1CCCCC1 ZINC000653200658 431306288 /nfs/dbraw/zinc/30/62/88/431306288.db2.gz LKKRWIWNOVINDV-UHFFFAOYSA-N 2 0 309.498 2.666 20 0 DFADRP CC[N@H+](CCCNC(=O)C1CCC([NH3+])CC1)C1CCCCC1 ZINC000653200759 431307412 /nfs/dbraw/zinc/30/74/12/431307412.db2.gz PAPIBMAFHDCFBA-UHFFFAOYSA-N 2 0 309.498 2.665 20 0 DFADRP C[C@H]1CC[N@H+](Cc2ccccc2)CCN1CC[NH2+]C(C)(C)C ZINC000666636646 431309659 /nfs/dbraw/zinc/30/96/59/431309659.db2.gz AURUTGQCOVDLIT-KRWDZBQOSA-N 2 0 303.494 2.971 20 0 DFADRP C[C@@H]1C[C@H](C[N@@H+]2CC[C@H](N(C)Cc3ccccc3)C2)CC[NH2+]1 ZINC000666645445 431311802 /nfs/dbraw/zinc/31/18/02/431311802.db2.gz SRCQPNQEQBNZNH-QRQLOZEOSA-N 2 0 301.478 2.581 20 0 DFADRP C[C@H]([NH3+])CNC(=O)Nc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000666656989 431315169 /nfs/dbraw/zinc/31/51/69/431315169.db2.gz AYTGZKDBUNWGLK-AWEZNQCLSA-N 2 0 318.465 2.920 20 0 DFADRP CC[NH+](CC)Cc1ccccc1CNC(=O)[C@@H]1CCC[NH2+]CC1 ZINC000653107125 431271405 /nfs/dbraw/zinc/27/14/05/431271405.db2.gz YRSQEGSKXFZDEG-MRXNPFEDSA-N 2 0 317.477 2.534 20 0 DFADRP C[NH+](C)Cc1ccc(NC2CC[NH+]([C@H]3CCOC3)CC2)c(F)c1 ZINC000656263532 431343365 /nfs/dbraw/zinc/34/33/65/431343365.db2.gz LLSHIZKKIPMDJR-INIZCTEOSA-N 2 0 321.440 2.553 20 0 DFADRP COc1ccc(C[C@@H](C)C[NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)cc1F ZINC000656268903 431346720 /nfs/dbraw/zinc/34/67/20/431346720.db2.gz IYMBKDFKKLKMEY-BMFZPTHFSA-N 2 0 308.441 2.943 20 0 DFADRP COc1ccc(CC[C@@H](C)[NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)cc1O ZINC000656268628 431346973 /nfs/dbraw/zinc/34/69/73/431346973.db2.gz FRWJAYVTTBLXDU-BMFZPTHFSA-N 2 0 306.450 2.652 20 0 DFADRP Fc1ccc(-c2n[nH]cc2C[NH2+]CC[C@@H]2CCC[NH2+]C2)cc1 ZINC000666797844 431362973 /nfs/dbraw/zinc/36/29/73/431362973.db2.gz YYFSOJVMOCWKJM-ZDUSSCGKSA-N 2 0 302.397 2.695 20 0 DFADRP CC(C)c1cccc(C[NH2+][C@H](C)CCN2CC[NH+](C)CC2)c1 ZINC000663322347 431364207 /nfs/dbraw/zinc/36/42/07/431364207.db2.gz TYOIIDJMLNBZLV-QGZVFWFLSA-N 2 0 303.494 2.926 20 0 DFADRP c1csc(CC[NH+]2CCN(c3[nH+]ccc4[nH]ccc43)CC2)c1 ZINC000663417999 431416002 /nfs/dbraw/zinc/41/60/02/431416002.db2.gz MNMUAPQPNASUJA-UHFFFAOYSA-N 2 0 312.442 2.989 20 0 DFADRP c1cc(COc2ccc(C[NH2+][C@@H]3CC34CC[NH2+]CC4)cc2)ccn1 ZINC000666950720 431418753 /nfs/dbraw/zinc/41/87/53/431418753.db2.gz CHRFIDIGYHSMHG-LJQANCHMSA-N 2 0 323.440 2.892 20 0 DFADRP Clc1cc(C[NH2+][C@H]2CC23CC[NH2+]CC3)cc2c1OCCCO2 ZINC000666950797 431420649 /nfs/dbraw/zinc/42/06/49/431420649.db2.gz ILLBTKCUYTWOFP-HNNXBMFYSA-N 2 0 322.836 2.733 20 0 DFADRP COc1ccc(C[NH2+][C@H]2CC23CC[NH2+]CC3)cc1OCC(C)C ZINC000666951031 431420714 /nfs/dbraw/zinc/42/07/14/431420714.db2.gz XKBCJQSSGXSMHE-SFHVURJKSA-N 2 0 318.461 2.962 20 0 DFADRP COc1ccc(-c2ccncc2)cc1C[NH2+][C@H]1CC12CC[NH2+]CC2 ZINC000666954250 431421963 /nfs/dbraw/zinc/42/19/63/431421963.db2.gz SSHBSDQQLYBCAO-IBGZPJMESA-N 2 0 323.440 2.989 20 0 DFADRP Fc1cc(C[NH2+][C@H]2CC23CC[NH2+]CC3)ccc1OC(F)F ZINC000666952412 431422135 /nfs/dbraw/zinc/42/21/35/431422135.db2.gz VMBJUJILBLKILF-ZDUSSCGKSA-N 2 0 300.324 2.659 20 0 DFADRP COc1ccc(C[C@H](C)C[NH2+][C@H]2CC23CC[NH2+]CC3)cc1F ZINC000666953725 431422764 /nfs/dbraw/zinc/42/27/64/431422764.db2.gz GHBXARPDCOTDJK-GUYCJALGSA-N 2 0 306.425 2.745 20 0 DFADRP Cc1cc(Br)ccc1C[NH2+][C@H]1CC12CC[NH2+]CC2 ZINC000666952309 431423130 /nfs/dbraw/zinc/42/31/30/431423130.db2.gz QERMPIFOOHUICT-AWEZNQCLSA-N 2 0 309.251 2.989 20 0 DFADRP CN(C(=O)CC[NH2+][C@H](CC[NH+](C)C)C(C)(C)C)c1ccccc1 ZINC000663360573 431384236 /nfs/dbraw/zinc/38/42/36/431384236.db2.gz XMICFNWTGQQFBE-QGZVFWFLSA-N 2 0 319.493 2.996 20 0 DFADRP Cc1ccc(NC(=O)C[C@@H](C)[NH2+][C@@H]2CCC[NH2+]CC2)c(C)c1 ZINC000666858088 431386100 /nfs/dbraw/zinc/38/61/00/431386100.db2.gz WIUXPWFRUKZVDW-HZPDHXFCSA-N 2 0 303.450 2.752 20 0 DFADRP COc1cc(C[NH2+][C@@H]2CCC[NH2+]CC2)ccc1OC(F)F ZINC000666855268 431386745 /nfs/dbraw/zinc/38/67/45/431386745.db2.gz HZNIDGWZNLZWGE-GFCCVEGCSA-N 2 0 300.349 2.528 20 0 DFADRP C[C@H]1CCc2c(F)cccc2[C@H]1[NH2+]CC1CC[NH+](CCO)CC1 ZINC000151794881 279767331 /nfs/dbraw/zinc/76/73/31/279767331.db2.gz JUZIMCFZYMWCPH-LIRRHRJNSA-N 2 0 320.452 2.743 20 0 DFADRP C[C@@H](c1ccccc1)[C@H](O)C[NH2+]CC1CC[NH+](CC2CC2)CC1 ZINC000663374822 431393374 /nfs/dbraw/zinc/39/33/74/431393374.db2.gz OSBIRXJYOSHWNJ-OXJNMPFZSA-N 2 0 316.489 2.863 20 0 DFADRP OC1CC[NH+](CCCNc2cc[nH+]c3cc(F)ccc23)CC1 ZINC000663403634 431409011 /nfs/dbraw/zinc/40/90/11/431409011.db2.gz XJOAZVLGCPUMJG-UHFFFAOYSA-N 2 0 303.381 2.633 20 0 DFADRP COc1ccc2c(c1)C[C@H]([NH2+][C@@H]1CC[NH2+]C3(CCC3)C1)CC2 ZINC000666995332 431437360 /nfs/dbraw/zinc/43/73/60/431437360.db2.gz KHVIHVIVRVXKEP-IAGOWNOFSA-N 2 0 300.446 2.817 20 0 DFADRP Fc1ccccc1-c1n[nH]cc1C[NH2+][C@@H]1CC[NH2+]C2(CCC2)C1 ZINC000666996708 431437830 /nfs/dbraw/zinc/43/78/30/431437830.db2.gz AXYPEAGKLWNMOU-CQSZACIVSA-N 2 0 314.408 2.980 20 0 DFADRP COc1ccc2c(c1)C[C@@H]([NH2+][C@@H]1CC[NH2+]C3(CCC3)C1)CC2 ZINC000666995331 431438591 /nfs/dbraw/zinc/43/85/91/431438591.db2.gz KHVIHVIVRVXKEP-DLBZAZTESA-N 2 0 300.446 2.817 20 0 DFADRP CC(C)[C@H]([NH3+])CC[NH2+]Cc1cc(Cl)c2c(c1)OCCCO2 ZINC000663498951 431446389 /nfs/dbraw/zinc/44/63/89/431446389.db2.gz VTMBEFDFASDRJK-CQSZACIVSA-N 2 0 312.841 2.964 20 0 DFADRP COc1cc(C[NH2+]CC[C@@H]([NH3+])C(C)C)ccc1OC(F)F ZINC000663498528 431446455 /nfs/dbraw/zinc/44/64/55/431446455.db2.gz PAJLXOJGDNQCNB-GFCCVEGCSA-N 2 0 302.365 2.760 20 0 DFADRP C[NH2+]CCCC(=O)N1CCC([NH2+][C@@H]2CCC(C)(C)C[C@H]2C)CC1 ZINC000663505853 431447569 /nfs/dbraw/zinc/44/75/69/431447569.db2.gz NXSHODAQEKDDAR-NVXWUHKLSA-N 2 0 323.525 2.781 20 0 DFADRP COc1cccc([C@@H](C)[N@@H+]2CCC[C@@H](N3CCOCC3)CC2)c1 ZINC000660475948 431449298 /nfs/dbraw/zinc/44/92/98/431449298.db2.gz ZZLJUSIVBHIMDV-SJLPKXTDSA-N 2 0 318.461 2.943 20 0 DFADRP CCc1ccccc1NC(=O)C[C@H](C)[NH2+]CC[C@@H]([NH3+])C(C)C ZINC000663502729 431449407 /nfs/dbraw/zinc/44/94/07/431449407.db2.gz LHWAPVGPHUGYHD-GOEBONIOSA-N 2 0 305.466 2.929 20 0 DFADRP C[NH2+]CCCC(=O)N1CCC([NH2+]CCC2CCCCC2)CC1 ZINC000663506054 431449642 /nfs/dbraw/zinc/44/96/42/431449642.db2.gz OTEHTWTZLYTSKU-UHFFFAOYSA-N 2 0 309.498 2.537 20 0 DFADRP CC[C@H](C[C@@H](C)CC)[NH2+]C1CCN(C(=O)CCC[NH2+]C)CC1 ZINC000663506522 431449731 /nfs/dbraw/zinc/44/97/31/431449731.db2.gz SVUUDKLHXIVHRW-JKSUJKDBSA-N 2 0 311.514 2.781 20 0 DFADRP CCC[C@H](NC[C@@H](O)C[N@H+](C)CC)c1ccc(F)cc1F ZINC000653607063 431458070 /nfs/dbraw/zinc/45/80/70/431458070.db2.gz RNGLNQRVZZLTTI-CJNGLKHVSA-N 2 0 300.393 2.708 20 0 DFADRP C[N@@H+]1CC[C@@H]2OCCN(C[C@@H]3CC[C@@H](c4ccccc4)C3)[C@@H]2C1 ZINC000660509125 431466726 /nfs/dbraw/zinc/46/67/26/431466726.db2.gz WWVONDOXOGZWTF-AFYVEPGGSA-N 2 0 314.473 2.975 20 0 DFADRP C[N@H+](CCc1noc2ccccc21)C[C@H]1CCn2ccnc2C1 ZINC000653646741 431472417 /nfs/dbraw/zinc/47/24/17/431472417.db2.gz AOWCHLCQMITQEV-AWEZNQCLSA-N 2 0 310.401 2.761 20 0 DFADRP CC1(C)C[C@H]([NH+]2CCN(c3cc[nH+]c4ccccc43)CC2)CO1 ZINC000660530770 431476725 /nfs/dbraw/zinc/47/67/25/431476725.db2.gz JZDKDUMTURNWLJ-HNNXBMFYSA-N 2 0 311.429 2.924 20 0 DFADRP c1ccc(C[N@@H+]2CCC[C@H](c3nc([C@H]4CCC[NH2+]4)no3)C2)cc1 ZINC000647151389 431479518 /nfs/dbraw/zinc/47/95/18/431479518.db2.gz DPNYIWVYRPDZEU-JKSUJKDBSA-N 2 0 312.417 2.874 20 0 DFADRP [NH3+]C[C@H]1CC[C@H]([NH2+]Cc2cnn(Cc3ccccc3Cl)c2)C1 ZINC000666962216 431426824 /nfs/dbraw/zinc/42/68/24/431426824.db2.gz RRXHWDAPUCFZBP-BBRMVZONSA-N 2 0 318.852 2.802 20 0 DFADRP CCC[N@H+](C)CC(C)(C)NC(=O)Nc1ccn2ccnc2c1 ZINC000666974293 431431687 /nfs/dbraw/zinc/43/16/87/431431687.db2.gz MRYUXAFINAITOH-UHFFFAOYSA-N 2 0 303.410 2.576 20 0 DFADRP COc1cccc(C[C@H](C)[NH2+]C[C@H]2CCC[N@H+](CC3CC3)C2)n1 ZINC000663468771 431435397 /nfs/dbraw/zinc/43/53/97/431435397.db2.gz MRWNXFAIERBOCK-DOTOQJQBSA-N 2 0 317.477 2.733 20 0 DFADRP COC[C@@H](Cc1ccccc1)[NH2+]C[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000663468547 431436030 /nfs/dbraw/zinc/43/60/30/431436030.db2.gz MATGOLHQVBCHJI-WOJBJXKFSA-N 2 0 316.489 2.956 20 0 DFADRP CCO[C@@H]1CN(c2c3ccccc3[nH+]c(C)c2CC)C[C@H]1C[NH3+] ZINC000650303070 431519729 /nfs/dbraw/zinc/51/97/29/431519729.db2.gz MLDIHKYXHWXAOZ-RDTXWAMCSA-N 2 0 313.445 2.906 20 0 DFADRP CC(C)(C)c1n[nH]cc1C[N@@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000656786946 431522510 /nfs/dbraw/zinc/52/25/10/431522510.db2.gz XYKKWOCQJSFAAE-OAHLLOKOSA-N 2 0 304.482 2.919 20 0 DFADRP CC(=O)Nc1ccccc1C[NH+]1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000656787088 431523773 /nfs/dbraw/zinc/52/37/73/431523773.db2.gz SWUYXIJOKBQWMF-KRWDZBQOSA-N 2 0 315.461 2.857 20 0 DFADRP CC(C)[N@H+](C)C[C@H](O)C[NH+]1CC[C@@H](c2ccccc2)[C@H](C)C1 ZINC000656699825 431486657 /nfs/dbraw/zinc/48/66/57/431486657.db2.gz WBUYKMVIFCSOQD-NZSAHSFTSA-N 2 0 304.478 2.813 20 0 DFADRP C[C@@H]1CN(c2cccc(Cl)c2)CC[N@@H+]1CCn1ccnc1 ZINC000653704462 431497344 /nfs/dbraw/zinc/49/73/44/431497344.db2.gz RWCRVJDLPVIWOF-CQSZACIVSA-N 2 0 304.825 2.747 20 0 DFADRP O[C@H]1CCC[C@@H]1[NH+]1CCC([NH2+]C2CCC(F)(F)CC2)CC1 ZINC000647193403 431505096 /nfs/dbraw/zinc/50/50/96/431505096.db2.gz XTHYKHDONCFKMP-GJZGRUSLSA-N 2 0 302.409 2.532 20 0 DFADRP CC[N@@H+]1CC[C@@H](NC[C@@H]2C[NH+](C)C[C@H]2c2ccccc2)[C@H](C)C1 ZINC000647343971 431558701 /nfs/dbraw/zinc/55/87/01/431558701.db2.gz GTFJNXSCJSSPBN-RSPOEFSDSA-N 2 0 315.505 2.652 20 0 DFADRP C[C@@H]([NH2+]C[C@@H]1C[N@H+](C)C[C@H]1c1ccccc1)[C@H]1CCCOC1 ZINC000647344657 431562172 /nfs/dbraw/zinc/56/21/72/431562172.db2.gz WIKQACFJHMQCOZ-LULLPPNCSA-N 2 0 302.462 2.737 20 0 DFADRP CC[NH+]1CCN([C@@H](C)C[NH2+][C@@H](CC(C)C)c2ccncc2)CC1 ZINC000647282688 431537048 /nfs/dbraw/zinc/53/70/48/431537048.db2.gz MHXCVKFAFAGRIR-HKUYNNGSSA-N 2 0 318.509 2.784 20 0 DFADRP C[N@H+](CCN1CCC[C@@]2(CC[NH+](C)C2)C1)Cc1ccccc1 ZINC000660664179 431538977 /nfs/dbraw/zinc/53/89/77/431538977.db2.gz QLPYQPXIDKHIHI-IBGZPJMESA-N 2 0 301.478 2.536 20 0 DFADRP COc1cncc(/C=C\CC[N@@H+]2CCC[C@]3(CC[NH+](C)C3)C2)c1 ZINC000660662415 431539681 /nfs/dbraw/zinc/53/96/81/431539681.db2.gz KAIKANAVIDGEKM-WSGSOLELSA-N 2 0 315.461 2.911 20 0 DFADRP C[C@@H]1C[C@H](C)C[N@@H+](CCN2CC[NH+](C)C3(CCCCC3)C2)C1 ZINC000660673390 431545454 /nfs/dbraw/zinc/54/54/54/431545454.db2.gz SJVOTROXZXKESR-HDICACEKSA-N 2 0 307.526 2.915 20 0 DFADRP C[C@H]([NH2+]C[C@@H]1CSc2ccccc2O1)C1CC[NH+](C)CC1 ZINC000647314076 431545842 /nfs/dbraw/zinc/54/58/42/431545842.db2.gz MPVZWLGMNRUGNR-DZGCQCFKSA-N 2 0 306.475 2.860 20 0 DFADRP CC[C@@H](C)[C@@H](C)[N@H+](CC(=O)NC1CC[NH+](C2CC2)CC1)C1CC1 ZINC000104966847 280115603 /nfs/dbraw/zinc/11/56/03/280115603.db2.gz VGWBHPJHWUPICO-HUUCEWRRSA-N 2 0 321.509 2.628 20 0 DFADRP CC[C@@H](CO)[NH2+][C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000249183569 280150685 /nfs/dbraw/zinc/15/06/85/280150685.db2.gz JKESBSOVORLJMF-INDMIFKZSA-N 2 0 302.462 2.648 20 0 DFADRP C[C@]1(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)OCCc2sccc21 ZINC000353610155 280158508 /nfs/dbraw/zinc/15/85/08/280158508.db2.gz LSLZVTWURPMWBN-JKIFEVAISA-N 2 0 306.475 2.752 20 0 DFADRP CC[C@@H]([NH2+][C@@H](C)CN1CC[NH+](C)CC1)c1cc(C)ccc1OC ZINC000093406112 280192291 /nfs/dbraw/zinc/19/22/91/280192291.db2.gz JIAHNHXBQVSQBR-FUHWJXTLSA-N 2 0 319.493 2.680 20 0 DFADRP CC[C@@H]1CC[C@H](C)C[C@@H]1[NH2+][C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000366821290 280329542 /nfs/dbraw/zinc/32/95/42/280329542.db2.gz IBSPYXAPSAEVRR-FAJBIJEISA-N 2 0 307.526 2.959 20 0 DFADRP Cc1cc(F)ccc1[C@@H]1CCCN1C[C@@H](O)C[N@@H+](C)C(C)C ZINC000660753689 431579027 /nfs/dbraw/zinc/57/90/27/431579027.db2.gz KGUSXVFPPUBSGB-WMZOPIPTSA-N 2 0 308.441 2.972 20 0 DFADRP COc1cccc(C[N@@H+]2CCC[C@H]([C@@H]3C[C@@H]([NH3+])CCO3)C2)c1F ZINC000650707848 431653160 /nfs/dbraw/zinc/65/31/60/431653160.db2.gz ODOJOJIOAXBQSN-QRTARXTBSA-N 2 0 322.424 2.553 20 0 DFADRP Cc1ccc(F)c(C[N@@H+]2CCC[C@H]([C@@H]3C[C@@H]([NH3+])CCO3)C2)c1 ZINC000650706670 431653280 /nfs/dbraw/zinc/65/32/80/431653280.db2.gz PYLWVXGCRBWWFC-ZVZYQTTQSA-N 2 0 306.425 2.852 20 0 DFADRP CCc1ccc(C[N@@H+]2CCC[C@H]([C@@H]3C[C@H]([NH3+])CCO3)C2)cc1 ZINC000650705588 431654133 /nfs/dbraw/zinc/65/41/33/431654133.db2.gz MMLWBKHQFRTXKD-OTWHNJEPSA-N 2 0 302.462 2.967 20 0 DFADRP CC[C@]1([NH2+]CCC(C)CC[NH2+][C@@]2(CC)CCOC2)CCOC1 ZINC000664097584 431654961 /nfs/dbraw/zinc/65/49/61/431654961.db2.gz MDYFIOXNWGTIMK-ROUUACIJSA-N 2 0 312.498 2.720 20 0 DFADRP CC(C)(C[NH2+]Cc1cnn2c1CCC2)N1CCc2ccccc2C1 ZINC000657298509 431655913 /nfs/dbraw/zinc/65/59/13/431655913.db2.gz QTDRUZAVXYKIPZ-UHFFFAOYSA-N 2 0 324.472 2.756 20 0 DFADRP CC1(C)Cc2cc(C[N@@H+]3C[C@@H]4CCC[C@]4(C[NH3+])C3)ccc2O1 ZINC000650709634 431655969 /nfs/dbraw/zinc/65/59/69/431655969.db2.gz JGFDEQCGJAUVGU-LPHOPBHVSA-N 2 0 300.446 2.961 20 0 DFADRP CC(C)n1ncc2cc(C[N@@H+]3C[C@@H]4CCC[C@]4(C[NH3+])C3)cnc21 ZINC000650709240 431656240 /nfs/dbraw/zinc/65/62/40/431656240.db2.gz LWKFAJOYNNOVOT-WMZOPIPTSA-N 2 0 313.449 2.573 20 0 DFADRP c1nn2c(c1C[NH2+]Cc1cccc(C[NH+]3CCCC3)c1)CCC2 ZINC000657301019 431658397 /nfs/dbraw/zinc/65/83/97/431658397.db2.gz YEOGVRFCDPJLKI-UHFFFAOYSA-N 2 0 310.445 2.715 20 0 DFADRP [NH3+]CC1(CC[NH2+]Cc2c[nH]nc2-c2cccc(Cl)c2)CC1 ZINC000650712734 431659648 /nfs/dbraw/zinc/65/96/48/431659648.db2.gz RRLKJERCVUQOOT-UHFFFAOYSA-N 2 0 304.825 2.949 20 0 DFADRP Cc1cccc2[nH]c(C[NH2+]CC(C)(C)N3CC[NH+](C)CC3)cc21 ZINC000657303726 431659659 /nfs/dbraw/zinc/65/96/59/431659659.db2.gz GDJIMHYQHGICQD-UHFFFAOYSA-N 2 0 314.477 2.592 20 0 DFADRP [NH3+]CC1(CC[NH2+]Cc2ccccc2OCc2cccnc2)CC1 ZINC000650713605 431659904 /nfs/dbraw/zinc/65/99/04/431659904.db2.gz XMNBGOYPUZWGIU-UHFFFAOYSA-N 2 0 311.429 2.879 20 0 DFADRP C[C@@H]1CCC[N@H+](Cc2ccc(N3CCCC3)nc2)[C@H]1CC[NH3+] ZINC000650711469 431660298 /nfs/dbraw/zinc/66/02/98/431660298.db2.gz UOGZIGLBNOWPOG-WBVHZDCISA-N 2 0 302.466 2.631 20 0 DFADRP C[NH2+]CC1CC[NH+](Cc2c[nH]nc2-c2cccc(OC)c2)CC1 ZINC000647494422 431607667 /nfs/dbraw/zinc/60/76/67/431607667.db2.gz BBUFKZISSBXTIC-UHFFFAOYSA-N 2 0 314.433 2.517 20 0 DFADRP CC[C@@H]1C[N@H+](Cc2ccc(OC[C@H]3CCCO3)cc2)CC[C@H]1[NH3+] ZINC000647499016 431610095 /nfs/dbraw/zinc/61/00/95/431610095.db2.gz WYZRSBNXSMQRJW-BHIYHBOVSA-N 2 0 318.461 2.804 20 0 DFADRP Nc1ccc(C[N@@H+]2CCCC[C@@H]2[C@@H](C[NH3+])Cc2ccccc2)cn1 ZINC000647532612 431617522 /nfs/dbraw/zinc/61/75/22/431617522.db2.gz UCZVXDHKRMUURE-RTBURBONSA-N 2 0 324.472 2.666 20 0 DFADRP [NH3+]Cc1ccc(C[NH2+]C[C@H]2CCOc3ccccc32)c(F)c1 ZINC000650717780 431660822 /nfs/dbraw/zinc/66/08/22/431660822.db2.gz MBCVXQKEPGUMBV-CQSZACIVSA-N 2 0 300.377 2.940 20 0 DFADRP CC[NH+]1CCC(N2CCC[N@H+](C[C@@H]3CC[C@@H]4C[C@@H]4C3)CC2)CC1 ZINC000660833965 431620208 /nfs/dbraw/zinc/62/02/08/431620208.db2.gz JTEBZUHOXFQIEW-QRVBRYPASA-N 2 0 319.537 2.915 20 0 DFADRP CC(C)(C)n1cc(C[N@@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)cn1 ZINC000647542764 431622678 /nfs/dbraw/zinc/62/26/78/431622678.db2.gz BNWGGKISVOBOTC-SJORKVTESA-N 2 0 304.482 2.850 20 0 DFADRP COc1cc(C)nc(C[N@@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)c1 ZINC000647542865 431624138 /nfs/dbraw/zinc/62/41/38/431624138.db2.gz DCDPQQBORFXGNT-CVEARBPZSA-N 2 0 303.450 2.610 20 0 DFADRP CCOc1cccc(C[N@@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)n1 ZINC000647543960 431624596 /nfs/dbraw/zinc/62/45/96/431624596.db2.gz UVRMOJLXIYCFTA-JKSUJKDBSA-N 2 0 303.450 2.692 20 0 DFADRP CCn1nc(C)c(C[N@@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)c1C ZINC000647542988 431625081 /nfs/dbraw/zinc/62/50/81/431625081.db2.gz FWAQWLFMEYJMTG-SJORKVTESA-N 2 0 304.482 2.731 20 0 DFADRP CC(=O)Nc1ccccc1C[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647543523 431625415 /nfs/dbraw/zinc/62/54/15/431625415.db2.gz ORXBYXASJZKIII-IRXDYDNUSA-N 2 0 315.461 2.857 20 0 DFADRP c1coc(-c2nc(C[NH2+][C@@H]3CC[C@H]4C[NH2+]C[C@@H]4C3)cs2)c1 ZINC000647549912 431627457 /nfs/dbraw/zinc/62/74/57/431627457.db2.gz XLTXMHMXSMBQBX-RWMBFGLXSA-N 2 0 303.431 2.881 20 0 DFADRP c1cc(OCC[NH+]2CCCC2)ccc1C[N@@H+]1C[C@@H]2C[C@H]1CS2 ZINC000657260457 431641955 /nfs/dbraw/zinc/64/19/55/431641955.db2.gz VDNIXRLZPNMDIT-WMZOPIPTSA-N 2 0 318.486 2.851 20 0 DFADRP Cc1[nH]c2ncnc(N3CCC[C@@H]([C@@H]4CCC[NH2+]C4)C3)c2c1C ZINC000647708399 431664068 /nfs/dbraw/zinc/66/40/68/431664068.db2.gz KWHHFLQKDYERCG-HUUCEWRRSA-N 2 0 313.449 2.791 20 0 DFADRP Cc1cccc2[nH]c(C[NH2+]CCCC[NH+]3CCN(C)CC3)cc21 ZINC000657308284 431667484 /nfs/dbraw/zinc/66/74/84/431667484.db2.gz PUICHUSVLMDAPC-UHFFFAOYSA-N 2 0 314.477 2.594 20 0 DFADRP COc1ccc(C[N@@H+]2CCCC[C@@H]2[C@H]2C[C@@H]([NH3+])CCO2)c(F)c1 ZINC000650724342 431668468 /nfs/dbraw/zinc/66/84/68/431668468.db2.gz DESWPMPNYCEKAU-BMGDILEWSA-N 2 0 322.424 2.695 20 0 DFADRP COC[C@H](C)Oc1ccc(C[NH2+]C[C@@H](C)C[NH+]2CCCC2)cc1 ZINC000657317557 431673392 /nfs/dbraw/zinc/67/33/92/431673392.db2.gz CFWKVLYPUHTIGM-SJORKVTESA-N 2 0 320.477 2.922 20 0 DFADRP C[C@@H]([NH2+]CCC1(C[NH3+])CC1)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000650744192 431674637 /nfs/dbraw/zinc/67/46/37/431674637.db2.gz IFWBGVKINKMTBC-GFCCVEGCSA-N 2 0 301.434 2.696 20 0 DFADRP CCCOc1ccc(CNC[C@@H](O)C[NH+]2CCCCC2)c(C)c1 ZINC000657325810 431676411 /nfs/dbraw/zinc/67/64/11/431676411.db2.gz LJIPYEIKTUHUEE-GOSISDBHSA-N 2 0 320.477 2.720 20 0 DFADRP C[C@H]([NH2+]Cc1ccc(C[NH3+])cc1F)c1ccc2c(c1)OCO2 ZINC000650752247 431679758 /nfs/dbraw/zinc/67/97/58/431679758.db2.gz MVAKZQKGUDYTAY-NSHDSACASA-N 2 0 302.349 2.864 20 0 DFADRP c1c(C[NH2+]CC2CC[NH+](Cc3ccccc3)CC2)nn2c1CCC2 ZINC000657329304 431680616 /nfs/dbraw/zinc/68/06/16/431680616.db2.gz NWAPMLBZTBCNNN-UHFFFAOYSA-N 2 0 324.472 2.831 20 0 DFADRP C[NH2+]Cc1ccccc1C[NH2+]C1CCC(O)(C(F)(F)F)CC1 ZINC000650758120 431681790 /nfs/dbraw/zinc/68/17/90/431681790.db2.gz JPJOJSLMGMXZRJ-UHFFFAOYSA-N 2 0 316.367 2.732 20 0 DFADRP C[NH2+]Cc1ccccc1C[NH2+][C@@H]1CCC[C@@H](c2ccnn2C)C1 ZINC000650757422 431682952 /nfs/dbraw/zinc/68/29/52/431682952.db2.gz WXHOPMSWOPXVDC-CRAIPNDOSA-N 2 0 312.461 2.956 20 0 DFADRP [NH3+]Cc1ccc(C[NH2+][C@@H]2CCC[C@H]([C@@H]3CCOC3)C2)c(F)c1 ZINC000650755097 431683126 /nfs/dbraw/zinc/68/31/26/431683126.db2.gz YVDHWNCEDRMRPE-USXIJHARSA-N 2 0 306.425 2.969 20 0 DFADRP CC[N@H+](C)Cc1cccc(C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000647786530 431684040 /nfs/dbraw/zinc/68/40/40/431684040.db2.gz RCAZLWBCUBWLAG-CEXWTWQISA-N 3 0 301.478 2.616 20 0 DFADRP Cn1nc(C(F)(F)F)cc1CNC1CC[NH+](C2CCC2)CC1 ZINC000657333814 431684055 /nfs/dbraw/zinc/68/40/55/431684055.db2.gz AFAYCDAVTUWUQH-UHFFFAOYSA-N 2 0 316.371 2.545 20 0 DFADRP C[C@H](COc1ccc(F)cc1F)[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000647786566 431684246 /nfs/dbraw/zinc/68/42/46/431684246.db2.gz RZZSISCLIJIHJB-GUIRCDHDSA-N 2 0 310.388 2.710 20 0 DFADRP C[C@@H](CCc1ccc2c(c1)OCO2)[NH2+]Cc1cnc2n1CCC2 ZINC000657337105 431684538 /nfs/dbraw/zinc/68/45/38/431684538.db2.gz IUAYUAAXPSEZSB-ZDUSSCGKSA-N 2 0 313.401 2.669 20 0 DFADRP CC(C)[N@@H+]1CC[C@H](C[NH2+]Cc2ccc(O[C@H]3CCOC3)cc2)C1 ZINC000657336252 431684817 /nfs/dbraw/zinc/68/48/17/431684817.db2.gz ZGZGZGPVFUMTTP-MJGOQNOKSA-N 2 0 318.461 2.674 20 0 DFADRP C[C@@H]([NH2+]CCC1CC[NH2+]CC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000650762679 431685110 /nfs/dbraw/zinc/68/51/10/431685110.db2.gz HSMLKOINMZIDRG-YLJYHZDGSA-N 3 0 315.505 2.876 20 0 DFADRP c1csc(-c2nc(C[NH2+][C@@H]3CC[C@H]4C[NH2+]C[C@H]4C3)co2)c1 ZINC000647784301 431685280 /nfs/dbraw/zinc/68/52/80/431685280.db2.gz PYOMEVIVRCKCKK-YNEHKIRRSA-N 2 0 303.431 2.881 20 0 DFADRP C[C@@H]([NH2+]CCC1CC[NH2+]CC1)c1ccc2c(c1)CCC(=O)N2 ZINC000650764272 431685582 /nfs/dbraw/zinc/68/55/82/431685582.db2.gz VALAFLZNXILDIV-CYBMUJFWSA-N 2 0 301.434 2.612 20 0 DFADRP CC(C)(C[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1)c1ccc2c(c1)OCO2 ZINC000647788536 431686571 /nfs/dbraw/zinc/68/65/71/431686571.db2.gz LRAVGBOOMNTAAZ-IIAWOOMASA-N 2 0 316.445 2.671 20 0 DFADRP c1cc(N2CCCCC2)ncc1C[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000647790417 431686692 /nfs/dbraw/zinc/68/66/92/431686692.db2.gz YGIDRMQSPNZCHW-OKZBNKHCSA-N 2 0 314.477 2.550 20 0 DFADRP CC[C@@H]1CCCN(C(C)(C)C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)C1 ZINC000647790438 431687141 /nfs/dbraw/zinc/68/71/41/431687141.db2.gz YJLHCICFNYIJHI-ZJPYXAASSA-N 2 0 307.526 2.865 20 0 DFADRP C1[NH2+]C[C@H]2C[C@H]([NH2+]C3CC[NH+](C4CCCCC4)CC3)CC[C@H]12 ZINC000647788738 431687487 /nfs/dbraw/zinc/68/74/87/431687487.db2.gz POWAZNGQODISBX-JFIYKMOQSA-N 3 0 305.510 2.761 20 0 DFADRP Clc1cccc(N2CC[C@H]([NH2+][C@@H]3CC[C@@H]4C[NH2+]C[C@@H]4C3)C2)c1 ZINC000647788685 431687791 /nfs/dbraw/zinc/68/77/91/431687791.db2.gz ONSRTFGUJAFMLZ-WTTBNOFXSA-N 2 0 319.880 2.896 20 0 DFADRP COCCOc1ccc([C@H](C)[NH2+]CCC2CC[NH2+]CC2)cc1 ZINC000650764344 431688634 /nfs/dbraw/zinc/68/86/34/431688634.db2.gz WMMGPFOTZFKFSW-HNNXBMFYSA-N 2 0 306.450 2.752 20 0 DFADRP COc1ccc([C@H](OC)[C@H](C)[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC000647794305 431688940 /nfs/dbraw/zinc/68/89/40/431688940.db2.gz XNRYKGYYKSWIOT-LNSZTPPCSA-N 2 0 318.461 2.749 20 0 DFADRP c1ccc(COC2CC([NH2+][C@@H]3CC[C@H]4C[NH2+]C[C@@H]4C3)C2)cc1 ZINC000647795009 431689284 /nfs/dbraw/zinc/68/92/84/431689284.db2.gz HSKUWMZWXZIGPT-UPMGZUDPSA-N 2 0 300.446 2.712 20 0 DFADRP FC(F)Oc1ccccc1CC[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000647795652 431689804 /nfs/dbraw/zinc/68/98/04/431689804.db2.gz SMGCVDHHORRUAZ-RBSFLKMASA-N 2 0 310.388 2.808 20 0 DFADRP CCOc1ccc2c(c1)[C@H]([NH2+][C@@H]1CC[C@H]3C[NH2+]C[C@@H]3C1)CCO2 ZINC000647795061 431690310 /nfs/dbraw/zinc/69/03/10/431690310.db2.gz IQJVGIRONRCNLV-OIPACUDHSA-N 2 0 316.445 2.887 20 0 DFADRP COCCCOc1cccc(C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000647794216 431690314 /nfs/dbraw/zinc/69/03/14/431690314.db2.gz URFWQAGLQBJBRM-OKZBNKHCSA-N 2 0 318.461 2.580 20 0 DFADRP Cc1ccccc1[C@H]([C@H](C)[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)N(C)C ZINC000647795915 431690355 /nfs/dbraw/zinc/69/03/55/431690355.db2.gz ZMFWMYMMQIUESV-VBRUWADQSA-N 2 0 315.505 2.964 20 0 DFADRP COc1cccc([C@H]2C[C@H]([NH2+][C@@H]3CC[C@H]4C[NH2+]C[C@H]4C3)C2)c1 ZINC000647798486 431691722 /nfs/dbraw/zinc/69/17/22/431691722.db2.gz RJYDWLRKLYSMTD-AVEIZBFRSA-N 2 0 300.446 2.919 20 0 DFADRP OCC[C@H]([NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1)c1ccc(Cl)cc1 ZINC000647796735 431691726 /nfs/dbraw/zinc/69/17/26/431691726.db2.gz LPGSVSOEGDTNTB-DIECFANBSA-N 2 0 308.853 2.741 20 0 DFADRP COc1cc(F)cc(C[C@H](C)[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000647799449 431691770 /nfs/dbraw/zinc/69/17/70/431691770.db2.gz HCSKIHZMJPBIJF-PWXKEOIMSA-N 2 0 306.425 2.743 20 0 DFADRP FC(F)(F)c1cccc(CC[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)n1 ZINC000647798821 431691841 /nfs/dbraw/zinc/69/18/41/431691841.db2.gz XXTVUNTUUXIYJR-MBNYWOFBSA-N 2 0 313.367 2.621 20 0 DFADRP CC[C@@H]1CCC[C@H]([NH2+]CCC[N@@H+]2CCC[C@H](C(N)=O)C2)CC1 ZINC000657350358 431693111 /nfs/dbraw/zinc/69/31/11/431693111.db2.gz VOGJJWALKSQXRW-IKGGRYGDSA-N 2 0 309.498 2.522 20 0 DFADRP CC[NH+]1CCC(C[NH2+]Cc2ccc(O[C@@H]3CCOC3)cc2)CC1 ZINC000657347425 431693684 /nfs/dbraw/zinc/69/36/84/431693684.db2.gz QSXBPGVZUHTVRH-LJQANCHMSA-N 2 0 318.461 2.676 20 0 DFADRP Cc1cccc2nc(CC[NH2+][C@H](C)c3ccc(C[NH3+])nc3C)cn21 ZINC000647803742 431695015 /nfs/dbraw/zinc/69/50/15/431695015.db2.gz AHWYVUAGYOITPW-CQSZACIVSA-N 2 0 323.444 2.698 20 0 DFADRP Cc1cccc2[nH]c(C[NH2+]CCCC[N@@H+]3CCC[C@@H]3CO)cc21 ZINC000657355891 431695621 /nfs/dbraw/zinc/69/56/21/431695621.db2.gz CWJAABDFIRIXMR-QGZVFWFLSA-N 2 0 315.461 2.803 20 0 DFADRP OCCN1CCC[C@@H]([NH2+]Cc2cccc(C3CCCC3)c2)C1 ZINC000657352493 431696299 /nfs/dbraw/zinc/69/62/99/431696299.db2.gz WAXJXYCGWRYNMP-LJQANCHMSA-N 2 0 302.462 2.891 20 0 DFADRP CCOc1ccc(C[NH2+]CCCC[N@@H+]2CCC[C@H]2CO)c(C)c1 ZINC000657357203 431701076 /nfs/dbraw/zinc/70/10/76/431701076.db2.gz YXPICNFHROMLSG-SFHVURJKSA-N 2 0 320.477 2.720 20 0 DFADRP CCCn1nccc1C[NH2+]Cc1ccc(F)c(C[NH+](C)C)c1 ZINC000657364135 431701573 /nfs/dbraw/zinc/70/15/73/431701573.db2.gz SWIPXRRIXNLPOM-UHFFFAOYSA-N 2 0 304.413 2.784 20 0 DFADRP C[C@@H]([NH3+])[C@@H]1CN(CCCOc2ccc(C(C)(C)C)cc2)CCO1 ZINC000647861892 431710822 /nfs/dbraw/zinc/71/08/22/431710822.db2.gz JGFCNZIJDNIFFK-QAPCUYQASA-N 2 0 320.477 2.801 20 0 DFADRP C[C@@H](CCNCc1ccnn1-c1cc[nH+]cc1)[NH+]1CCCCC1 ZINC000657432249 431747497 /nfs/dbraw/zinc/74/74/97/431747497.db2.gz DCUKZSFZYXIQAV-INIZCTEOSA-N 2 0 313.449 2.621 20 0 DFADRP CCN(CCO)CC[NH2+]Cc1ccc(-c2cccs2)cc1 ZINC000657436536 431750080 /nfs/dbraw/zinc/75/00/80/431750080.db2.gz DKNSERNPLVOSAR-UHFFFAOYSA-N 2 0 304.459 2.819 20 0 DFADRP CC[NH+](CC)CCOCC[NH2+]Cc1cc2ccncc2s1 ZINC000657433534 431751886 /nfs/dbraw/zinc/75/18/86/431751886.db2.gz UIASNQXJFADVEF-UHFFFAOYSA-N 2 0 307.463 2.744 20 0 DFADRP CCC[N@H+](C[C@@H](O)C[NH+](C)C(C)C)[C@@H]1CCc2ccccc2C1 ZINC000647960158 431752613 /nfs/dbraw/zinc/75/26/13/431752613.db2.gz JEDKKZRKVQEENB-UXHICEINSA-N 2 0 318.505 2.957 20 0 DFADRP CC(C)(CC[NH+]1CCCCCC1)NCc1cc2n(n1)CCC2 ZINC000657439652 431753399 /nfs/dbraw/zinc/75/33/99/431753399.db2.gz KSDCQNKKBJLHLV-UHFFFAOYSA-N 2 0 304.482 2.964 20 0 DFADRP Fc1ccccc1OCC[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647975881 431761658 /nfs/dbraw/zinc/76/16/58/431761658.db2.gz HDVWKRKPZAADAZ-HZPDHXFCSA-N 2 0 306.425 2.916 20 0 DFADRP Cn1ncc(C(F)(F)F)c1CNC1CC([NH+]2CCCCC2)C1 ZINC000657457667 431762309 /nfs/dbraw/zinc/76/23/09/431762309.db2.gz PJWCVCZVBZAHAE-UHFFFAOYSA-N 2 0 316.371 2.545 20 0 DFADRP NC(=O)c1ccc(C[N@H+](CCCC2CC[NH2+]CC2)C2CC2)cc1 ZINC000647878640 431716463 /nfs/dbraw/zinc/71/64/63/431716463.db2.gz VYKDNSVPZHVMQE-UHFFFAOYSA-N 2 0 315.461 2.530 20 0 DFADRP c1ccc(C[C@H]2COCC[N@H+]2CCCC2CC[NH2+]CC2)cc1 ZINC000647877296 431717328 /nfs/dbraw/zinc/71/73/28/431717328.db2.gz NAOXUKVYRHKUCH-IBGZPJMESA-N 2 0 302.462 2.710 20 0 DFADRP COc1ccc(CC[N@H+](CC(C)C)C[C@H]2CC[NH2+]C2)cc1OC ZINC000647885907 431718830 /nfs/dbraw/zinc/71/88/30/431718830.db2.gz JUUYDFGREIWIOJ-KRWDZBQOSA-N 2 0 320.477 2.814 20 0 DFADRP c1ccc2c(c1)COC21CC[NH+](CCC2CC[NH2+]CC2)CC1 ZINC000647890127 431719171 /nfs/dbraw/zinc/71/91/71/431719171.db2.gz RXRIIYSXKVYDDY-UHFFFAOYSA-N 2 0 300.446 2.898 20 0 DFADRP CCO[C@H](CC[NH+](C)C)C[NH2+]Cc1cc2c(cccc2C)[nH]1 ZINC000657388724 431720958 /nfs/dbraw/zinc/72/09/58/431720958.db2.gz DGYKPRQTQUGKJI-MRXNPFEDSA-N 2 0 303.450 2.923 20 0 DFADRP O=C(CC[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1)Nc1ccc(F)cc1 ZINC000647900938 431722394 /nfs/dbraw/zinc/72/23/94/431722394.db2.gz HVJJYBMWPINBTJ-PBHICJAKSA-N 2 0 319.424 2.618 20 0 DFADRP CC(C)(O)C[NH+]1CCC([NH2+]CC2(c3ccccc3)CC2)CC1 ZINC000647908871 431723663 /nfs/dbraw/zinc/72/36/63/431723663.db2.gz WJNIYLLPHPMAQG-UHFFFAOYSA-N 2 0 302.462 2.543 20 0 DFADRP C[N@@H+]1C[C@@H](CNCc2ccnn2CC2CC2)[C@H](c2ccccc2)C1 ZINC000657499897 431789209 /nfs/dbraw/zinc/78/92/09/431789209.db2.gz IVCYDWXUXUIWCR-QUCCMNQESA-N 2 0 324.472 2.728 20 0 DFADRP Fc1cccc(C[NH2+]CC2CC[NH+](C3CCOCC3)CC2)c1 ZINC000657536650 431800388 /nfs/dbraw/zinc/80/03/88/431800388.db2.gz MEDOGECHGLFAEA-UHFFFAOYSA-N 2 0 306.425 2.806 20 0 DFADRP C[NH+]1CCC2(CC1)C[N@H+](Cc1coc3ccccc13)CCO2 ZINC000648072355 431807581 /nfs/dbraw/zinc/80/75/81/431807581.db2.gz ZMIQODROVNAHNJ-UHFFFAOYSA-N 2 0 300.402 2.729 20 0 DFADRP COc1ccc([C@@H](C)C[N@@H+]2CCOC3(CC[NH+](C)CC3)C2)cc1 ZINC000648072011 431807884 /nfs/dbraw/zinc/80/78/84/431807884.db2.gz GTUCVHXPFGTSCM-INIZCTEOSA-N 2 0 318.461 2.595 20 0 DFADRP C[C@@H](CN(C)CCC[NH+](C)C)[NH2+]Cc1c(F)cccc1Cl ZINC000657573040 431814330 /nfs/dbraw/zinc/81/43/30/431814330.db2.gz IFRXGHOSHVJPOK-ZDUSSCGKSA-N 2 0 315.864 2.841 20 0 DFADRP C[C@@H](CN(C)CCC[NH+](C)C)[NH2+]Cc1ccc(F)c(Cl)c1 ZINC000657573191 431815232 /nfs/dbraw/zinc/81/52/32/431815232.db2.gz MCLNWKGCLTVJBO-ZDUSSCGKSA-N 2 0 315.864 2.841 20 0 DFADRP C[C@@H](CN(C)CCC[NH+](C)C)[NH2+]Cc1ccc([C@H]2C[C@H]2C)o1 ZINC000657573679 431816090 /nfs/dbraw/zinc/81/60/90/431816090.db2.gz OMAYQHDSEDUCGJ-VYDXJSESSA-N 2 0 307.482 2.765 20 0 DFADRP CC[C@@H]1C[C@H]([NH2+]Cc2ccc(OC3CC[NH+](C)CC3)cc2)CO1 ZINC000657460521 431766400 /nfs/dbraw/zinc/76/64/00/431766400.db2.gz ZRDYZJGKYBSVOC-DLBZAZTESA-N 2 0 318.461 2.817 20 0 DFADRP Fc1cccc(CN2CC[NH+](CCCC3CC[NH2+]CC3)CC2)c1 ZINC000647988515 431767100 /nfs/dbraw/zinc/76/71/00/431767100.db2.gz VJWOSBVJEGXGIL-UHFFFAOYSA-N 2 0 319.468 2.723 20 0 DFADRP O[C@@H]1CC[N@H+](Cc2ccc(C[NH2+]CC3CCCCC3)cc2)C1 ZINC000657596749 431820537 /nfs/dbraw/zinc/82/05/37/431820537.db2.gz YPAYUPCJKUDCKX-LJQANCHMSA-N 2 0 302.462 2.923 20 0 DFADRP C[N@@H+]1C[C@H]2CCN(Cc3cccc(C[NH+]4CCCCC4)c3)[C@H]2C1 ZINC000664570340 431821931 /nfs/dbraw/zinc/82/19/31/431821931.db2.gz FLMDMUWPACBUJI-UXHICEINSA-N 2 0 313.489 2.808 20 0 DFADRP O[C@H]1CC[N@H+](Cc2ccc(C[NH2+]Cc3cccc(F)c3)cc2)C1 ZINC000657594209 431822121 /nfs/dbraw/zinc/82/21/21/431822121.db2.gz GLNWPMMGKGJAPQ-IBGZPJMESA-N 2 0 314.404 2.682 20 0 DFADRP C[N@@H+]1C[C@H]2CCN(Cc3ccc(C[NH+]4CCCCC4)cc3)[C@@H]2C1 ZINC000664570525 431822123 /nfs/dbraw/zinc/82/21/23/431822123.db2.gz WQNXFAUGHNFYKY-WOJBJXKFSA-N 2 0 313.489 2.808 20 0 DFADRP C[C@H]([NH2+]CC(C)(C)C[N@H+](C)Cc1ccccc1)C1(CO)CC1 ZINC000657603632 431823904 /nfs/dbraw/zinc/82/39/04/431823904.db2.gz PRJCVZAVPGRJAJ-INIZCTEOSA-N 2 0 304.478 2.895 20 0 DFADRP CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)CCC(C)(C)[NH3+] ZINC000648152348 431826701 /nfs/dbraw/zinc/82/67/01/431826701.db2.gz QMNSJQQZIIMPDA-UHFFFAOYSA-N 2 0 305.466 2.614 20 0 DFADRP C[C@@H](COc1c(F)cccc1F)[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000657629086 431828986 /nfs/dbraw/zinc/82/89/86/431828986.db2.gz ZTOHCZUSFCHDIV-IHRRRGAJSA-N 2 0 310.388 2.949 20 0 DFADRP CC(C)[NH+]1CCN(CCC[NH+]2CCC(C3CCC3)CC2)CC1 ZINC000661374885 431837065 /nfs/dbraw/zinc/83/70/65/431837065.db2.gz QALTVRMGZMJGRN-UHFFFAOYSA-N 2 0 307.526 2.915 20 0 DFADRP CCC(C)(C)[NH2+][C@@H](C)C(=O)N[C@@H](C[NH+](C)C)c1ccccc1 ZINC000273188580 282011260 /nfs/dbraw/zinc/01/12/60/282011260.db2.gz INDBZORFGUOPLM-HOCLYGCPSA-N 2 0 305.466 2.572 20 0 DFADRP COCC[C@H](COC)[NH2+]C1CC[NH+]([C@H]2CCCC[C@H]2C)CC1 ZINC000353630699 292692779 /nfs/dbraw/zinc/69/27/79/292692779.db2.gz NIRKLMGBMQTSNT-NXHRZFHOSA-N 2 0 312.498 2.671 20 0 DFADRP CN(CCC[N@H+](C)C[C@@H]1C[C@@H]1c1ccccc1)CC[NH+](C)C ZINC000361395520 289132089 /nfs/dbraw/zinc/13/20/89/289132089.db2.gz OTMFVEOYVHWXSD-RBUKOAKNSA-N 2 0 303.494 2.605 20 0 DFADRP C[NH+](C)CCc1ccc(NC(=O)C[C@H]2CCCC[C@@H]2[NH3+])cc1 ZINC000296089081 289185677 /nfs/dbraw/zinc/18/56/77/289185677.db2.gz RCJKJXCFXOHEHG-WBVHZDCISA-N 2 0 303.450 2.637 20 0 DFADRP C[C@H](C(=O)N1CCCC2(CC[NH+](C)CC2)C1)[NH+]1CCCCCC1 ZINC000374100308 289264792 /nfs/dbraw/zinc/26/47/92/289264792.db2.gz DILMNIPNHNXOBT-QGZVFWFLSA-N 2 0 321.509 2.585 20 0 DFADRP C[C@H](C(=O)N1CCC[NH+](C2CCCC2)CC1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000247363967 289269698 /nfs/dbraw/zinc/26/96/98/289269698.db2.gz MTQUGIPSIXHTBX-IXDOHACOSA-N 2 0 321.509 2.725 20 0 DFADRP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@@H+]2CCSC(C)(C)C ZINC000370172467 289323360 /nfs/dbraw/zinc/32/33/60/289323360.db2.gz KXJBGRZZISFUGP-KFWWJZLASA-N 2 0 300.512 2.702 20 0 DFADRP C[C@H](C(=O)Nc1ccc(C[NH+](C)C)cc1)[NH+]1CCCCCC1 ZINC000266524600 289380677 /nfs/dbraw/zinc/38/06/77/289380677.db2.gz DEPMECDEGVKLPP-OAHLLOKOSA-N 2 0 303.450 2.951 20 0 DFADRP C[NH+]1CCC(O)(C[NH2+][C@@H]2CCCOc3c(Cl)cccc32)CC1 ZINC000268992483 289888753 /nfs/dbraw/zinc/88/87/53/289888753.db2.gz MTMWOJBHNFWOAT-OAHLLOKOSA-N 2 0 324.852 2.600 20 0 DFADRP C[C@H]([NH2+]CC1(O)CC[NH+](C)CC1)C1(c2ccccc2)CCCC1 ZINC000289361063 289946378 /nfs/dbraw/zinc/94/63/78/289946378.db2.gz ZGKRTXCCGYVPEC-KRWDZBQOSA-N 2 0 316.489 2.933 20 0 DFADRP C[C@H]1CCCCC[N@@H+]1CC(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000354846899 290371557 /nfs/dbraw/zinc/37/15/57/290371557.db2.gz DOTZSINIVZNSEG-FUHWJXTLSA-N 2 0 317.477 2.670 20 0 DFADRP COc1ccc(C[NH2+]CCCC[NH+]2C[C@H](C)C[C@@H](C)C2)cn1 ZINC000436272617 296995545 /nfs/dbraw/zinc/99/55/45/296995545.db2.gz HLGUSYPDRGYWCK-HZPDHXFCSA-N 2 0 305.466 2.938 20 0 DFADRP O[C@H]1CCCC[C@H]1CCC[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000436470067 297004494 /nfs/dbraw/zinc/00/44/94/297004494.db2.gz HYJMFHWPEGMESZ-LPHOPBHVSA-N 2 0 317.477 2.971 20 0 DFADRP C[NH+]1CCN(c2cc(C[NH2+]C3CC(C(C)(C)C)C3)ccn2)CC1 ZINC000436469046 297004547 /nfs/dbraw/zinc/00/45/47/297004547.db2.gz SMZREKKJNCRIIR-UHFFFAOYSA-N 2 0 316.493 2.748 20 0 DFADRP Cc1ccc2[nH+]ccc(N3CCC([N@@H+](C)C[C@H](C)O)CC3)c2c1 ZINC000436433077 297003225 /nfs/dbraw/zinc/00/32/25/297003225.db2.gz MHQBPHZCQKNARU-HNNXBMFYSA-N 2 0 313.445 2.825 20 0 DFADRP c1nc2ccccc2n1CC[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000436470756 297004559 /nfs/dbraw/zinc/00/45/59/297004559.db2.gz OMACXGUJUYTNTE-UHFFFAOYSA-N 2 0 321.428 2.690 20 0 DFADRP C[C@H]([NH2+]CC1(N(C)C)CCC1)c1cccc(OCC[NH+](C)C)c1 ZINC000437074372 297053759 /nfs/dbraw/zinc/05/37/59/297053759.db2.gz IREGACGGCCFTQJ-INIZCTEOSA-N 2 0 319.493 2.762 20 0 DFADRP COC(=O)C(C)(C)CC[NH2+]C[C@H]1CCC[N@@H+]1C1CCCCC1 ZINC000437343278 297060186 /nfs/dbraw/zinc/06/01/86/297060186.db2.gz CKFUPHSNMIDGSC-MRXNPFEDSA-N 2 0 310.482 2.962 20 0 DFADRP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NC[C@H]1CCC[N@@H+]1C1CCCCC1 ZINC000437870761 297072933 /nfs/dbraw/zinc/07/29/33/297072933.db2.gz SSLAZBQQFCQNKG-JFIYKMOQSA-N 2 0 321.509 2.773 20 0 DFADRP [NH3+]CCOCC[N@@H+]1CCc2sccc2[C@@H]1c1cccs1 ZINC000357038505 295235103 /nfs/dbraw/zinc/23/51/03/295235103.db2.gz YZJIQSMAKPZTLX-OAHLLOKOSA-N 2 0 308.472 2.732 20 0 DFADRP CN1CC[NH+](CCCC[NH2+][C@@H]2CCSc3ccccc32)CC1 ZINC000154361900 295298673 /nfs/dbraw/zinc/29/86/73/295298673.db2.gz TXUMFRWPXXLURQ-QGZVFWFLSA-N 2 0 319.518 2.841 20 0 DFADRP CCCC[C@@H]([NH3+])C(=O)Nc1ccc(CC[NH+]2CCCC2)cc1 ZINC000154544644 295302294 /nfs/dbraw/zinc/30/22/94/295302294.db2.gz SVEGUUIQGZJRGT-QGZVFWFLSA-N 2 0 303.450 2.781 20 0 DFADRP CC[NH+]1CCN([C@@H](C)C[NH2+][C@@H](C)C(C)(C)c2ccccc2)CC1 ZINC000155572076 295320810 /nfs/dbraw/zinc/32/08/10/295320810.db2.gz WUWXXNHBZBYFPB-ROUUACIJSA-N 2 0 317.521 2.968 20 0 DFADRP CC[C@H]([NH2+]C[C@H]1CCC[N@H+](C)C1)c1ccc2c(c1)OCCO2 ZINC000158147460 295359065 /nfs/dbraw/zinc/35/90/65/295359065.db2.gz QYFGGBXMYSCVGU-ZBFHGGJFSA-N 2 0 304.434 2.840 20 0 DFADRP CC1CC[NH+](C[C@@H](O)C[NH2+][C@H](Cc2ccccc2)C2CC2)CC1 ZINC000158870655 295368636 /nfs/dbraw/zinc/36/86/36/295368636.db2.gz FLDDTERQEBBVLI-VQTJNVASSA-N 2 0 316.489 2.690 20 0 DFADRP CCC[C@H]([NH2+]CCCN1CCC[N@H+](C)CC1)c1ccccn1 ZINC000159020927 295370917 /nfs/dbraw/zinc/37/09/17/295370917.db2.gz GUHQQFMHJIFKPI-KRWDZBQOSA-N 2 0 304.482 2.540 20 0 DFADRP C[C@@H]([NH2+][C@H]1CCN(C2CC[NH+](C)CC2)C1)c1ccc(F)cc1F ZINC000363788560 295444990 /nfs/dbraw/zinc/44/49/90/295444990.db2.gz XUSBCNVZQDQRJZ-HIFRSBDPSA-N 2 0 323.431 2.784 20 0 DFADRP c1ccc(CC[NH+]2CCC([NH2+]CC3=CCOCC3)CC2)cc1 ZINC000397814154 295488602 /nfs/dbraw/zinc/48/86/02/295488602.db2.gz DWYJCMNZUIECPD-UHFFFAOYSA-N 2 0 300.446 2.630 20 0 DFADRP C[C@@H]([NH2+]CCC[NH+](C)C)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000400379175 295497121 /nfs/dbraw/zinc/49/71/21/295497121.db2.gz WJTJFVHPGRIDJM-CQSZACIVSA-N 2 0 313.486 2.563 20 0 DFADRP C[C@H](Cc1ccc(Br)cc1)[NH2+][C@@H](C)[C@H]1CC[NH2+]C1 ZINC000400502405 295497910 /nfs/dbraw/zinc/49/79/10/295497910.db2.gz IXGXWBJMQPWEBR-DYEKYZERSA-N 2 0 311.267 2.968 20 0 DFADRP c1ccc(CN2CCC([NH2+][C@@H]3CC[C@H]4C[NH2+]C[C@H]4C3)CC2)cc1 ZINC000401045803 295499413 /nfs/dbraw/zinc/49/94/13/295499413.db2.gz VRTLFVGTXOZXHA-NLWGTHIKSA-N 2 0 313.489 2.629 20 0 DFADRP COC1CC[NH+](CCC(C)CC[NH+]2CCC(OC)CC2)CC1 ZINC000411123009 295526231 /nfs/dbraw/zinc/52/62/31/295526231.db2.gz BXVRIWPTNWNCLS-UHFFFAOYSA-N 2 0 312.498 2.624 20 0 DFADRP C[C@H](C(=O)N(CC[NH+](C)C)C1CCCC1)[NH+]1[C@H](C)CC[C@H]1C ZINC000412198396 295599831 /nfs/dbraw/zinc/59/98/31/295599831.db2.gz WRWVOMBUJYKTKI-BZUAXINKSA-N 2 0 309.498 2.581 20 0 DFADRP c1csc(C[NH+]2CCC(C[NH2+]CC[C@H]3CCOC3)CC2)c1 ZINC000438206439 297084690 /nfs/dbraw/zinc/08/46/90/297084690.db2.gz JFZRPFWDYXQVFT-INIZCTEOSA-N 2 0 308.491 2.976 20 0 DFADRP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)Nc1ccccc1CC[NH+](C)C ZINC000438569159 297098912 /nfs/dbraw/zinc/09/89/12/297098912.db2.gz LUPRXWFQGJMBLC-HUUCEWRRSA-N 2 0 303.450 2.602 20 0 DFADRP CC(C)[NH+](CCNC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1)C(C)C ZINC000438568022 297099314 /nfs/dbraw/zinc/09/93/14/297099314.db2.gz OGGNVHSAFWFJSD-KRWDZBQOSA-N 2 0 309.498 2.628 20 0 DFADRP O=C(N[C@H]1CC[N@@H+](C2CCCC2)C1)[C@@H]1CCC[NH+]1C1CCCC1 ZINC000439829243 297139387 /nfs/dbraw/zinc/13/93/87/297139387.db2.gz GAEBQTDSYVQTDI-YJBOKZPZSA-N 2 0 319.493 2.527 20 0 DFADRP C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)[C@H]1CCC[NH+]1C1CCCC1 ZINC000439831015 297139728 /nfs/dbraw/zinc/13/97/28/297139728.db2.gz BKTRQRJBHQVFQI-SOLBZPMBSA-N 2 0 321.509 2.773 20 0 DFADRP CC[NH+](CC)C[C@@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC000440256783 297148857 /nfs/dbraw/zinc/14/88/57/297148857.db2.gz CXQBIKJQWSCHBY-FUHWJXTLSA-N 2 0 321.509 2.584 20 0 DFADRP CO[C@@H]1CC[NH+](C/C=C\C[N@H+]2CC[C@H](OC)C[C@@H]2C)[C@H](C)C1 ZINC000441341966 297180102 /nfs/dbraw/zinc/18/01/02/297180102.db2.gz QJOGINBCJSRJSX-HMBYZQHASA-N 2 0 310.482 2.541 20 0 DFADRP CC(C)CCn1cccc1C[NH2+]CCN1CC[N@H+](C)C(C)(C)C1 ZINC000441347166 297180578 /nfs/dbraw/zinc/18/05/78/297180578.db2.gz LFQKZOVYKTYQPV-UHFFFAOYSA-N 2 0 320.525 2.650 20 0 DFADRP C[C@@H]1CCC[C@H]([NH+]2CCC([NH2+]CC3([S@@](C)=O)CC3)CC2)C1 ZINC000442797830 297206641 /nfs/dbraw/zinc/20/66/41/297206641.db2.gz HWFXZBCMKJMQMN-IVZHQMGZSA-N 2 0 312.523 2.530 20 0 DFADRP COCCCOc1cccc(C[N@@H+]2CCC[C@H](CC[NH3+])C2)c1 ZINC000442917486 297211194 /nfs/dbraw/zinc/21/11/94/297211194.db2.gz APAFNVXVLRQXHQ-MRXNPFEDSA-N 2 0 306.450 2.663 20 0 DFADRP CCOc1c(C[N@@H+]2CCC[C@@H](CC[NH3+])C2)c(C)nn1CC(C)C ZINC000442917063 297211220 /nfs/dbraw/zinc/21/12/20/297211220.db2.gz BVHHKRJOCIODHS-INIZCTEOSA-N 2 0 322.497 2.807 20 0 DFADRP C[C@@H](c1nc(-c2cccs2)no1)[N@@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000443056088 297213505 /nfs/dbraw/zinc/21/35/05/297213505.db2.gz CABZRZQBGXDROK-RYUDHWBXSA-N 2 0 306.435 2.920 20 0 DFADRP CCc1ccc(NC(=O)[C@H](C)[N@@H+]2CCC[C@@H](CC[NH3+])C2)cc1 ZINC000443056537 297213639 /nfs/dbraw/zinc/21/36/39/297213639.db2.gz CWAFHYYLUJZBLR-HOCLYGCPSA-N 2 0 303.450 2.637 20 0 DFADRP Cc1ccc(C)c(NC(=O)[C@H](C)[N@@H+]2CCC[C@H](CC[NH3+])C2)c1 ZINC000443057051 297213964 /nfs/dbraw/zinc/21/39/64/297213964.db2.gz FDXRERKLRGHBGF-JKSUJKDBSA-N 2 0 303.450 2.691 20 0 DFADRP CCC[C@@H](NC(=O)C[N@@H+]1CCC[C@H](CC[NH3+])C1)c1ccccc1 ZINC000443060875 297214300 /nfs/dbraw/zinc/21/43/00/297214300.db2.gz PXYMRJRIKGUTJA-SJLPKXTDSA-N 2 0 317.477 2.705 20 0 DFADRP Cc1ccc(NC(=O)[C@@H](C)[N@@H+]2CCC[C@@H](CC[NH3+])C2)cc1C ZINC000443061951 297214478 /nfs/dbraw/zinc/21/44/78/297214478.db2.gz SOWLMBTWVLSRKO-CVEARBPZSA-N 2 0 303.450 2.691 20 0 DFADRP C[C@@H](c1nc(-c2ccccc2)no1)[N@@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000443066084 297214675 /nfs/dbraw/zinc/21/46/75/297214675.db2.gz DIXKBSLIFNHMIG-KBPBESRZSA-N 2 0 300.406 2.858 20 0 DFADRP C[C@@H](C(=O)Nc1ccc(Cl)cc1)[N@@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000443065976 297214830 /nfs/dbraw/zinc/21/48/30/297214830.db2.gz DCBSJTXFBOGJPP-STQMWFEESA-N 2 0 309.841 2.728 20 0 DFADRP [NH3+]CC[C@@H]1CCC[N@@H+]([C@@H]2CCN(c3cccc(Cl)c3)C2=O)C1 ZINC000443075154 297215226 /nfs/dbraw/zinc/21/52/26/297215226.db2.gz QYPCDGYSZJWZHV-XJKSGUPXSA-N 2 0 321.852 2.506 20 0 DFADRP CC[N@@H+]1CC[C@H]([NH+](C)CCOc2cccc(OC)c2)C[C@H]1C ZINC000443623706 297223175 /nfs/dbraw/zinc/22/31/75/297223175.db2.gz QRWZFTZUGJRAPY-CVEARBPZSA-N 2 0 306.450 2.879 20 0 DFADRP COC[C@H]([NH2+]CCCC[NH+]1C[C@@H](C)O[C@H](C)C1)C1CCCC1 ZINC000446819715 297287418 /nfs/dbraw/zinc/28/74/18/297287418.db2.gz VDFBCZVRXLDULY-NUJGCVRESA-N 2 0 312.498 2.671 20 0 DFADRP COc1cc(C)c(C[NH2+]CC2CC[NH+](C3CC3)CC2)c(C)n1 ZINC000446884022 297289329 /nfs/dbraw/zinc/28/93/29/297289329.db2.gz LBPBXOZTYFHKSP-UHFFFAOYSA-N 2 0 303.450 2.671 20 0 DFADRP C[C@@H]1CC2(CCC2)C[NH+]1CC(O)C[N@H+]1CC2(CCC2)C[C@H]1C ZINC000447323779 297301053 /nfs/dbraw/zinc/30/10/53/297301053.db2.gz LAWNSNXMTWDDLE-HZPDHXFCSA-N 2 0 306.494 2.876 20 0 DFADRP C[C@](O)(C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)C1CC1 ZINC000447536290 297307192 /nfs/dbraw/zinc/30/71/92/297307192.db2.gz MFRZZNZQDSDZRE-HAGHYFMRSA-N 2 0 314.473 2.933 20 0 DFADRP C[C@@H](CCc1ccc(Cl)s1)[NH2+]CCOCC[NH+](C)C ZINC000447602041 297310320 /nfs/dbraw/zinc/31/03/20/297310320.db2.gz SETIHMKKECBCPV-LBPRGKRZSA-N 2 0 304.887 2.890 20 0 DFADRP C[N@@H+](Cc1cnc(C(F)(F)F)s1)CC1CC[NH+](C)CC1 ZINC000447739647 297315248 /nfs/dbraw/zinc/31/52/48/297315248.db2.gz HXOXGTORFVWYMK-UHFFFAOYSA-N 2 0 307.385 2.936 20 0 DFADRP CC(C)[C@@H](CO)[NH2+]C1CC[NH+]([C@@H](C)Cc2ccccc2)CC1 ZINC000449179015 297418535 /nfs/dbraw/zinc/41/85/35/297418535.db2.gz UXPVGQKATXTBSK-QFBILLFUSA-N 2 0 304.478 2.689 20 0 DFADRP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+]CC2(CO)CCC2)CC1 ZINC000449239912 297427492 /nfs/dbraw/zinc/42/74/92/297427492.db2.gz LTKWEKWLGFUYDK-QGZVFWFLSA-N 2 0 316.489 2.834 20 0 DFADRP CSCC1CCC([NH2+][C@H](C)CCN2CC[NH+](C)CC2)CC1 ZINC000449250812 297429564 /nfs/dbraw/zinc/42/95/64/297429564.db2.gz QAHYXHKWYUCFAQ-KLAILNCOSA-N 2 0 313.555 2.524 20 0 DFADRP CSC1(C[NH2+]Cc2ccnn2C2CCCC2)CC[NH+](C)CC1 ZINC000449338363 297449053 /nfs/dbraw/zinc/44/90/53/297449053.db2.gz RQFIUHGCZZYLEC-UHFFFAOYSA-N 2 0 322.522 2.915 20 0 DFADRP CC[NH+]1CCN(CC(C)(C)[NH2+]Cc2cccc3cc[nH]c32)CC1 ZINC000449743988 297524472 /nfs/dbraw/zinc/52/44/72/297524472.db2.gz CUGGTBXXWBNBBJ-UHFFFAOYSA-N 2 0 314.477 2.674 20 0 DFADRP CC[NH+]1CCN(CC(C)(C)[NH2+]Cc2cccc(Cl)c2)CC1 ZINC000449757694 297528844 /nfs/dbraw/zinc/52/88/44/297528844.db2.gz YCIVTUCRPQXWLK-UHFFFAOYSA-N 2 0 309.885 2.846 20 0 DFADRP CC[NH+]1CCN(CC(C)(C)[NH2+]CCCc2ccsc2)CC1 ZINC000451982004 297908960 /nfs/dbraw/zinc/90/89/60/297908960.db2.gz JKQXJXARCITZHT-UHFFFAOYSA-N 2 0 309.523 2.686 20 0 DFADRP COC1([C@@H](C)[NH2+]CCC[N@H+]2C[C@H](C)C[C@H](C)C2)CCOCC1 ZINC000453055102 298057418 /nfs/dbraw/zinc/05/74/18/298057418.db2.gz DCPQYKFYNSPWCH-IXDOHACOSA-N 2 0 312.498 2.528 20 0 DFADRP C[NH+](C)CCCN[C@@H]1CC[N@H+](Cc2ccccc2)[C@H]2CCC[C@@H]21 ZINC000453053756 298057699 /nfs/dbraw/zinc/05/76/99/298057699.db2.gz GRAQDHYUEMCKSR-AQNXPRMDSA-N 2 0 315.505 2.971 20 0 DFADRP C[NH+]1CCN(c2cc(C[NH2+][C@H](C3CC3)C3CCC3)ccn2)CC1 ZINC000453071056 298059062 /nfs/dbraw/zinc/05/90/62/298059062.db2.gz WKPWEJSJHRHISD-IBGZPJMESA-N 2 0 314.477 2.502 20 0 DFADRP C[C@H]([NH2+][C@H]1COCC1(C)C)c1cccc(OCC[NH+](C)C)c1 ZINC000453358122 298086369 /nfs/dbraw/zinc/08/63/69/298086369.db2.gz JUSYSXCDNDFUGH-YOEHRIQHSA-N 2 0 306.450 2.703 20 0 DFADRP CC[C@@H]([NH2+][C@@H](C)c1cccc(OCC[NH+](C)C)c1)[C@@H](O)CC ZINC000453378395 298088337 /nfs/dbraw/zinc/08/83/37/298088337.db2.gz QMKIODYDOPVAGJ-QGTPRVQTSA-N 2 0 308.466 2.827 20 0 DFADRP CC[N@@H+]1CC[C@H]([NH2+][C@H](CO)Cc2ccc(C)c(C)c2)[C@H](C)C1 ZINC000453411334 298091496 /nfs/dbraw/zinc/09/14/96/298091496.db2.gz AKEGPDLRVWXVPZ-NEWSRXKRSA-N 2 0 304.478 2.527 20 0 DFADRP Cn1nccc1[C@H]1CCC[C@H]([NH2+]CCCC[N@H+](C)C2CC2)C1 ZINC000453413964 298091899 /nfs/dbraw/zinc/09/18/99/298091899.db2.gz WVUAFFITQBXPCE-HOTGVXAUSA-N 2 0 304.482 2.910 20 0 DFADRP Cc1ccc(C[C@H](CO)[NH2+][C@@H]2C[C@H](C)[N@@H+](C)C[C@@H]2C)cc1C ZINC000453469199 298097955 /nfs/dbraw/zinc/09/79/55/298097955.db2.gz ZXSZLKQVMMIHAN-RNIPGJKVSA-N 2 0 304.478 2.525 20 0 DFADRP CC[C@@H](N[C@@H]1CCC[NH2+]C1)[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000496067058 300014675 /nfs/dbraw/zinc/01/46/75/300014675.db2.gz GGFITEWEZFRBJL-RBSFLKMASA-N 2 0 311.470 2.506 20 0 DFADRP CC[N@@H+]1CC[C@H]([NH2+][C@H](C)[C@H](C)NC(=O)OC(C)(C)C)[C@H](C)C1 ZINC000496196217 300028742 /nfs/dbraw/zinc/02/87/42/300028742.db2.gz AJNVNSWCTGFVLB-KBXIAJHMSA-N 2 0 313.486 2.608 20 0 DFADRP CCC[N@H+](C)C[C@H]1CCN(CCCNC(=O)OC(C)(C)C)C1 ZINC000496350501 300050587 /nfs/dbraw/zinc/05/05/87/300050587.db2.gz NRSPPBQBKSYNHN-OAHLLOKOSA-N 2 0 313.486 2.565 20 0 DFADRP CC(C)(C)OC(=O)NC1CC([NH2+]C2CC[NH+](CC3CC3)CC2)C1 ZINC000496607605 300087216 /nfs/dbraw/zinc/08/72/16/300087216.db2.gz WCEJNOQJVARVKZ-UHFFFAOYSA-N 2 0 323.481 2.506 20 0 DFADRP COC(=O)N1CCC([C@H](C)[NH2+][C@H]2C[C@H]([NH3+])c3ccccc32)CC1 ZINC000496745284 300107422 /nfs/dbraw/zinc/10/74/22/300107422.db2.gz KXJQNIFJBXKZMN-ZLIFDBKOSA-N 2 0 317.433 2.588 20 0 DFADRP C[C@H]([NH2+]C[C@@H]1CCC[C@H]([NH3+])C1)c1cccc(N2CCOC2=O)c1 ZINC000496970783 300140629 /nfs/dbraw/zinc/14/06/29/300140629.db2.gz YMSNGPHCZBNBSH-LZWOXQAQSA-N 2 0 317.433 2.811 20 0 DFADRP CN(CCC[NH+]1CCC(C[NH+](C)C)CC1)C(=O)OC(C)(C)C ZINC000497013813 300147656 /nfs/dbraw/zinc/14/76/56/300147656.db2.gz FVEPHEVTUXAQOX-UHFFFAOYSA-N 2 0 313.486 2.517 20 0 DFADRP CC(C)[NH+]1CCN(c2cccc(N[C@H]3C[N@H+](C)C[C@@H]3C)c2)CC1 ZINC000503269226 300219787 /nfs/dbraw/zinc/21/97/87/300219787.db2.gz YJPXWFOTYNNHKC-LPHOPBHVSA-N 2 0 316.493 2.579 20 0 DFADRP CCC(C)(C)NC(=O)CN1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000506486232 300230735 /nfs/dbraw/zinc/23/07/35/300230735.db2.gz KSNMVGXXZJEFMP-SJORKVTESA-N 2 0 323.525 2.878 20 0 DFADRP CCC(C)(C)NC(=O)CN1CCC[C@@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000506486227 300230775 /nfs/dbraw/zinc/23/07/75/300230775.db2.gz KSNMVGXXZJEFMP-DLBZAZTESA-N 2 0 323.525 2.878 20 0 DFADRP CC[C@@H]1CC[N@H+](CCCN2CCN(c3ccccc3)CC2)C1 ZINC000509384189 300241072 /nfs/dbraw/zinc/24/10/72/300241072.db2.gz GJYPWYQQARPPHW-GOSISDBHSA-N 2 0 301.478 2.931 20 0 DFADRP CC[C@@H](C[N@@H+]1CC[C@H](N2CC[NH+](CC)CC2)C1)c1ccccc1 ZINC000513479638 300258119 /nfs/dbraw/zinc/25/81/19/300258119.db2.gz PBWMXQVBKHZLSC-ICSRJNTNSA-N 2 0 315.505 2.892 20 0 DFADRP Cc1ccncc1CCC[NH2+][C@@H]1CCN(CC(F)(F)F)C1 ZINC000514891312 300277969 /nfs/dbraw/zinc/27/79/69/300277969.db2.gz RUJCNWSNDOWKHA-CQSZACIVSA-N 2 0 301.356 2.549 20 0 DFADRP CC(C)[C@H]1C[C@@H](Nc2c[nH+]ccc2N2CC[NH+](C)CC2)CS1 ZINC000514903029 300278316 /nfs/dbraw/zinc/27/83/16/300278316.db2.gz LJNFSOJLZCYGHS-RHSMWYFYSA-N 2 0 320.506 2.775 20 0 DFADRP Cc1ccc(C[NH+]2CC[C@H](C[N@H+](C)C[C@H]3CCOC3)C2)s1 ZINC000515018989 300284929 /nfs/dbraw/zinc/28/49/29/300284929.db2.gz NJFXXFOTQOEVGT-HZPDHXFCSA-N 2 0 308.491 2.847 20 0 DFADRP C[C@H]([NH2+]CC[C@H]1CCC[NH2+]1)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000515053477 300286867 /nfs/dbraw/zinc/28/68/67/300286867.db2.gz GCXVMNIZMHRXIH-GXTWGEPZSA-N 2 0 301.434 2.709 20 0 DFADRP CC[NH+](CC)[C@H](CN[C@H](C)[C@H]1CCC[NH2+]C1)Cc1ccccc1 ZINC000515413249 300305421 /nfs/dbraw/zinc/30/54/21/300305421.db2.gz QOAXOKUHKCRNSP-HOJAQTOUSA-N 2 0 317.521 2.917 20 0 DFADRP C[C@@H]([NH2+]CC(C)(C)N1CCc2ccccc2C1)[C@H]1CCC[NH2+]C1 ZINC000515634249 300315946 /nfs/dbraw/zinc/31/59/46/300315946.db2.gz UFBXIRNAXHIFPW-AEFFLSMTSA-N 2 0 315.505 2.801 20 0 DFADRP CCc1[nH+]c2ccccc2c(NCC[N@@H+]2CCCOCC2)c1C ZINC000516204594 300335188 /nfs/dbraw/zinc/33/51/88/300335188.db2.gz SPOKFQXUSXKHTJ-UHFFFAOYSA-N 2 0 313.445 2.662 20 0 DFADRP C[C@H](C[NH2+][C@@H]1CCC[C@@H]1C[NH3+])c1nc(-c2ccccc2)no1 ZINC000516450505 300342711 /nfs/dbraw/zinc/34/27/11/300342711.db2.gz XOOTWIKPMADSRQ-BPLDGKMQSA-N 2 0 300.406 2.557 20 0 DFADRP COc1ccc([C@H](NCC2([NH3+])CCCCC2)[C@H]2CCC[NH2+]2)cc1 ZINC000516449628 300342933 /nfs/dbraw/zinc/34/29/33/300342933.db2.gz ADVTURCZTIVKCX-MSOLQXFVSA-N 2 0 317.477 2.740 20 0 DFADRP COc1cc(C[N@H+](C)CC[C@H]2CC[NH2+]C2)ccc1OC(F)F ZINC000516751735 300358426 /nfs/dbraw/zinc/35/84/26/300358426.db2.gz XSPUOXZWIUCODG-GFCCVEGCSA-N 2 0 314.376 2.728 20 0 DFADRP C[C@@H]([NH2+]Cc1ccnc(OCC(F)(F)F)c1)[C@H]1CCC[NH2+]C1 ZINC000516958019 300372927 /nfs/dbraw/zinc/37/29/27/300372927.db2.gz SDIHSFZOFTYPTJ-YPMHNXCESA-N 2 0 317.355 2.500 20 0 DFADRP [NH3+][C@@H]1CCC[C@H]([NH2+][C@H]2CCN(c3ccc(F)c(Cl)c3)C2)C1 ZINC000521899483 300541051 /nfs/dbraw/zinc/54/10/51/300541051.db2.gz YDPXTVKHGOKSST-AGIUHOORSA-N 2 0 311.832 2.917 20 0 DFADRP C[C@H]([NH2+]C1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1)[C@@H]1C[C@H]1C1CC1 ZINC000527675894 300671250 /nfs/dbraw/zinc/67/12/50/300671250.db2.gz REENITJPWCSKCD-CTXVOCDESA-N 2 0 306.494 2.779 20 0 DFADRP Cc1cccc([C@@H]([NH2+]C[C@@H](C)N2CC[NH+](C)CC2)C(C)C)c1 ZINC000527859964 300702866 /nfs/dbraw/zinc/70/28/66/300702866.db2.gz SIQYRHAHMYNROG-MJGOQNOKSA-N 2 0 303.494 2.918 20 0 DFADRP CC(C)[C@H](C(=O)NC[C@@H]1CC[N@@H+]1C1CCCC1)[NH+]1CCCCC1 ZINC000530023205 301005274 /nfs/dbraw/zinc/00/52/74/301005274.db2.gz CSZZAZBQRKNRPZ-ZWKOTPCHSA-N 2 0 321.509 2.630 20 0 DFADRP CCc1noc(C2CCC([NH2+][C@@H]3CC[NH2+]C34CCC4)CC2)n1 ZINC000530178821 301026123 /nfs/dbraw/zinc/02/61/23/301026123.db2.gz OGXWVCNRUMBXJL-JXQTWKCFSA-N 2 0 304.438 2.532 20 0 DFADRP C[C@@H](CCc1ccc2c(c1)OCO2)[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000530178655 301026346 /nfs/dbraw/zinc/02/63/46/301026346.db2.gz PKNPHRQYZMPUIV-SUMWQHHRSA-N 2 0 302.418 2.611 20 0 DFADRP C[C@@H]1[C@H](N[C@@H]2CC[NH2+]C23CCC3)CCC[N@@H+]1Cc1ccccc1 ZINC000530216014 301029800 /nfs/dbraw/zinc/02/98/00/301029800.db2.gz LSFJFBSFSYNOBF-BHIYHBOVSA-N 2 0 313.489 2.914 20 0 DFADRP FC(F)(F)c1ncccc1C[N@@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000530219690 301031094 /nfs/dbraw/zinc/03/10/94/301031094.db2.gz HXFIKFUHGUZQFZ-OLZOCXBDSA-N 2 0 313.367 2.922 20 0 DFADRP C[C@H](N[C@H]1CC[NH2+]C12CCC2)c1cccc(OCC[NH+](C)C)c1 ZINC000530219673 301031236 /nfs/dbraw/zinc/03/12/36/301031236.db2.gz MLNWSKRGZKZQHF-YJBOKZPZSA-N 2 0 317.477 2.562 20 0 DFADRP CO[C@H](Cc1ccc(F)cc1)C[NH+]1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000530223071 301031512 /nfs/dbraw/zinc/03/15/12/301031512.db2.gz OGGAXPWVXIMMIR-RTBURBONSA-N 2 0 320.452 2.847 20 0 DFADRP CO[C@H](C[N@@H+]1CC2(C[C@@H]1C)CC[NH2+]CC2)c1ccc(F)cc1 ZINC000530227393 301032396 /nfs/dbraw/zinc/03/23/96/301032396.db2.gz WZMVJIVAGLMKGF-WMLDXEAASA-N 2 0 306.425 2.977 20 0 DFADRP Clc1ccccc1C[NH+]1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000530238493 301033367 /nfs/dbraw/zinc/03/33/67/301033367.db2.gz OBQHMUHVSGJMRF-MRXNPFEDSA-N 2 0 308.853 2.931 20 0 DFADRP Cc1cccc(C[NH+]2CCC(CO[C@H]3CC[NH2+]C3)CC2)c1C ZINC000530248530 301033587 /nfs/dbraw/zinc/03/35/87/301033587.db2.gz LSTNUXHMMWIUDT-IBGZPJMESA-N 2 0 302.462 2.894 20 0 DFADRP Cc1ccc(F)c(C[NH+]2CCC(CO[C@@H]3CC[NH2+]C3)CC2)c1 ZINC000530248341 301033678 /nfs/dbraw/zinc/03/36/78/301033678.db2.gz JGNTUYUSAVUVSD-QGZVFWFLSA-N 2 0 306.425 2.725 20 0 DFADRP Clc1csc(C[NH+]2CCC(CO[C@@H]3CC[NH2+]C3)CC2)c1 ZINC000530249345 301034157 /nfs/dbraw/zinc/03/41/57/301034157.db2.gz WCBHYJDKDXRJQO-CQSZACIVSA-N 2 0 314.882 2.992 20 0 DFADRP C[C@H](O)C[NH+]1CCC(C[N@H+](C)C[C@H]2CCC3(CCCC3)O2)CC1 ZINC000530463631 301049716 /nfs/dbraw/zinc/04/97/16/301049716.db2.gz PFSYZKKSFSYGET-FUHWJXTLSA-N 2 0 324.509 2.503 20 0 DFADRP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)C[C@@H]2CCC3(CCCC3)O2)CC1 ZINC000530463629 301049792 /nfs/dbraw/zinc/04/97/92/301049792.db2.gz PFSYZKKSFSYGET-AEFFLSMTSA-N 2 0 324.509 2.503 20 0 DFADRP CCc1cccc(NC(=O)CN(C)[C@H]2CC[N@@H+](CC)[C@H](C)C2)c1 ZINC000530662797 301061765 /nfs/dbraw/zinc/06/17/65/301061765.db2.gz CBHZMYBCXMNCOU-QAPCUYQASA-N 2 0 317.477 2.992 20 0 DFADRP COc1cc(C)ccc1[C@@H](C)[NH2+]CCCN1CCC[N@H+](C)CC1 ZINC000531704268 301104477 /nfs/dbraw/zinc/10/44/77/301104477.db2.gz OEDGKSDCIFOWTG-QGZVFWFLSA-N 2 0 319.493 2.682 20 0 DFADRP COc1cc(C)ccc1[C@@H](C)[NH2+]C[C@@H](C)CN1CC[NH+](C)CC1 ZINC000531704470 301105184 /nfs/dbraw/zinc/10/51/84/301105184.db2.gz PUBFGCUJBAVOMY-IAGOWNOFSA-N 2 0 319.493 2.538 20 0 DFADRP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@H](CC1CC1)c1ccccc1 ZINC000531720180 301106038 /nfs/dbraw/zinc/10/60/38/301106038.db2.gz QQXVZAFRFLKZNP-VQIMIIECSA-N 2 0 301.478 2.753 20 0 DFADRP CC[N@@H+]1CC[C@@H](C[NH2+][C@H](C)c2ccc3c(c2)CCC(=O)N3)C1 ZINC000531954933 301121067 /nfs/dbraw/zinc/12/10/67/301121067.db2.gz IKVLAAYNQNNNFF-KGLIPLIRSA-N 2 0 301.434 2.564 20 0 DFADRP C[C@H](C[NH2+][C@H]1CCc2c1cccc2Cl)N1CC[NH+](C)CC1 ZINC000531959589 301121656 /nfs/dbraw/zinc/12/16/56/301121656.db2.gz OCHFJCSKOILXQS-DYVFJYSZSA-N 2 0 307.869 2.553 20 0 DFADRP COc1cc(C)ccc1[C@@H](C)[NH2+]CCCC[NH+]1CCN(C)CC1 ZINC000532195803 301135832 /nfs/dbraw/zinc/13/58/32/301135832.db2.gz IHFUOZMESIHPOR-QGZVFWFLSA-N 2 0 319.493 2.682 20 0 DFADRP C[N@@H+]1CCCN(CCC[NH2+][C@H]2CCc3c2cccc3Cl)CC1 ZINC000532215498 301137220 /nfs/dbraw/zinc/13/72/20/301137220.db2.gz ZYTGSSCHXQGTIT-SFHVURJKSA-N 2 0 321.896 2.945 20 0 DFADRP CC[C@H]1CCC[C@H]1[NH2+]Cc1cccc(C(=O)NCC[NH+](C)C)c1 ZINC000532221123 301137719 /nfs/dbraw/zinc/13/77/19/301137719.db2.gz RZAWPSLVNQPRAK-FUHWJXTLSA-N 2 0 317.477 2.646 20 0 DFADRP CCN(CC)C(=O)C[C@H](C)[NH2+]CCCC[N@@H+]1CCCC[C@H]1C ZINC000532459766 301154142 /nfs/dbraw/zinc/15/41/42/301154142.db2.gz HCKGRXBJQOIMKF-DLBZAZTESA-N 2 0 311.514 2.878 20 0 DFADRP CC(C)[N@H+](C)CC1CC[NH+]([C@@H](C)C(=O)NC2CCCCC2)CC1 ZINC000533271094 301193713 /nfs/dbraw/zinc/19/37/13/301193713.db2.gz YYSCPCGZWJBRIE-INIZCTEOSA-N 2 0 323.525 2.876 20 0 DFADRP C[C@@H](CN1CC[NH+](C)CC1)[NH2+][C@@H]1CCCc2ccc(Cl)cc21 ZINC000534234246 301221386 /nfs/dbraw/zinc/22/13/86/301221386.db2.gz CWTKIFFHDNFMPO-KBXCAEBGSA-N 2 0 321.896 2.943 20 0 DFADRP Cn1ccnc1[C@H]1CC[N@H+](CCc2nc(-c3ccccc3)no2)C1 ZINC000534580469 301234718 /nfs/dbraw/zinc/23/47/18/301234718.db2.gz ASQKXWQBTQTVMS-HNNXBMFYSA-N 2 0 323.400 2.502 20 0 DFADRP CC(C)(C)CCNC(=O)CN1CCC(Nc2ccccn2)CC1 ZINC000534863496 301238931 /nfs/dbraw/zinc/23/89/31/301238931.db2.gz LBEZPOXXNMXPNS-UHFFFAOYSA-N 2 0 318.465 2.510 20 0 DFADRP CC1(C)CCC[C@H](C[NH+]2CCN(CC[NH+]3CCCC3)CC2)C1 ZINC000535070024 301247591 /nfs/dbraw/zinc/24/75/91/301247591.db2.gz MGEHFUPPKQXVRA-SFHVURJKSA-N 2 0 307.526 2.916 20 0 DFADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)[C@@H]1CC[C@H]2CCCC[C@H]2C1 ZINC000535229311 301251377 /nfs/dbraw/zinc/25/13/77/301251377.db2.gz KZNMXDUCFHMYJU-FGTMMUONSA-N 2 0 323.525 2.545 20 0 DFADRP CCn1c2ccccc2nc1C[NH+]1CCC(C[NH+](C)C)CC1 ZINC000535781053 301261236 /nfs/dbraw/zinc/26/12/36/301261236.db2.gz RZZCLLPEJHFLPQ-UHFFFAOYSA-N 2 0 300.450 2.830 20 0 DFADRP CCc1ccc(C[N@@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@H](C)C2)s1 ZINC000536664473 301286748 /nfs/dbraw/zinc/28/67/48/301286748.db2.gz DLTACTDNTQXYPX-QAPCUYQASA-N 2 0 321.534 2.768 20 0 DFADRP CCCNC(=O)C[NH+]1CCC(CC[N@H+](CC)CC(C)C)CC1 ZINC000536885077 301292459 /nfs/dbraw/zinc/29/24/59/301292459.db2.gz IZNWJMTYTOWLRY-UHFFFAOYSA-N 2 0 311.514 2.593 20 0 DFADRP C(C1CC1)[NH+]1CCC([NH2+][C@@H]2CCO[C@]3(CCSC3)C2)CC1 ZINC000540397260 301362576 /nfs/dbraw/zinc/36/25/76/301362576.db2.gz UKFFMIYDIFNGHU-IAGOWNOFSA-N 2 0 310.507 2.505 20 0 DFADRP CC[C@H](C(=O)Nc1cc(C[NH+](C)C)ccc1OC)[NH+](CC)CC ZINC000546601165 301502070 /nfs/dbraw/zinc/50/20/70/301502070.db2.gz LTGRETBWFKINLU-MRXNPFEDSA-N 2 0 321.465 2.816 20 0 DFADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+][C@H]2CCCC23CCCC3)CC1 ZINC000556076848 301784145 /nfs/dbraw/zinc/78/41/45/301784145.db2.gz RXILDOFLCFLXOH-ROUUACIJSA-N 2 0 307.526 2.963 20 0 DFADRP CC(C)[C@@H]1CC[C@@H]1[NH2+][C@@H](CN1CC[NH+](C)CC1)c1ccccc1 ZINC000556873651 301817986 /nfs/dbraw/zinc/81/79/86/301817986.db2.gz ZZFPXGMAHDSVOQ-UFYCRDLUSA-N 2 0 315.505 2.999 20 0 DFADRP Cc1sccc1CNc1c[nH+]ccc1N1CC[NH+](C)CC1 ZINC000559283027 301868624 /nfs/dbraw/zinc/86/86/24/301868624.db2.gz KUZBTQSKSCSWDX-UHFFFAOYSA-N 2 0 302.447 2.815 20 0 DFADRP CC[C@H]([NH2+][C@H](CN1CC[NH+](C)CC1)c1ccccc1)[C@@H]1C[C@H]1C ZINC000560880540 301917630 /nfs/dbraw/zinc/91/76/30/301917630.db2.gz YOUHKEUWBPXBCC-RSPOEFSDSA-N 2 0 315.505 2.999 20 0 DFADRP C[C@@H]1C[C@H](C)N(Cc2cnc([C@@H]3CCCO3)s2)C[C@@H]1C[NH3+] ZINC000562955487 302017512 /nfs/dbraw/zinc/01/75/12/302017512.db2.gz YWEIYDIEUJCHKP-OSFYFWSMSA-N 2 0 309.479 2.800 20 0 DFADRP C[N@H+](C[C@H](O)CN[C@H]1CCCOc2c(Cl)cccc21)C1CC1 ZINC000562992324 302022163 /nfs/dbraw/zinc/02/21/63/302022163.db2.gz ONYSWRSCHAQPNG-CJNGLKHVSA-N 2 0 324.852 2.598 20 0 DFADRP CC(C)C[C@@H](CNC(=O)[C@H]([NH3+])C(C)C)[NH2+][C@H](C)c1ccccc1 ZINC000563074919 302034563 /nfs/dbraw/zinc/03/45/63/302034563.db2.gz UOEPXNHVGOJHRU-BPQIPLTHSA-N 2 0 319.493 2.851 20 0 DFADRP O=C(C[C@@H]1CCC[NH2+]C1)Nc1ccc(CC[NH+]2CCCC2)cc1 ZINC000563413049 302069219 /nfs/dbraw/zinc/06/92/19/302069219.db2.gz KVQNTTNEMZCNFM-KRWDZBQOSA-N 2 0 315.461 2.653 20 0 DFADRP CC(C)(CN1CCCC1)[NH2+]CCCn1c2ccccc2[nH]c1=O ZINC000563597052 302085466 /nfs/dbraw/zinc/08/54/66/302085466.db2.gz KXCKXYRFNPAOBO-UHFFFAOYSA-N 2 0 316.449 2.596 20 0 DFADRP C[C@H](C[NH2+][C@@H]1CCC[NH2+]CC1)c1nc(-c2ccccc2)no1 ZINC000563804427 302099330 /nfs/dbraw/zinc/09/93/30/302099330.db2.gz FWSJJKLFJQJIFZ-UKRRQHHQSA-N 2 0 300.406 2.572 20 0 DFADRP C[C@@H]([NH2+][C@@H](C)c1ccc(NC(=O)c2ccncc2)cc1)C1C[NH2+]C1 ZINC000564074307 302116865 /nfs/dbraw/zinc/11/68/65/302116865.db2.gz TULYSRMQZPATCF-UONOGXRCSA-N 2 0 324.428 2.592 20 0 DFADRP CC(C)[N@H+](C)Cc1ccccc1C[NH2+]C[C@@](C)(O)C(F)(F)F ZINC000564076639 302117197 /nfs/dbraw/zinc/11/71/97/302117197.db2.gz FFOOLYVYPDHGCK-OAHLLOKOSA-N 2 0 318.383 2.930 20 0 DFADRP CSc1ccc2c(c1)[C@@H]([NH2+]CC1(O)CC[NH+](C)CC1)CCC2 ZINC000564729369 302154285 /nfs/dbraw/zinc/15/42/85/302154285.db2.gz OOIKKTYFHWSOMG-KRWDZBQOSA-N 2 0 320.502 2.832 20 0 DFADRP COC1([C@H](C)[NH2+]Cc2cn(-c3cc[nH+]cc3)nc2C)CCC1 ZINC000564784391 302158461 /nfs/dbraw/zinc/15/84/61/302158461.db2.gz UYWZQXLQKMBPOL-AWEZNQCLSA-N 2 0 300.406 2.623 20 0 DFADRP CC[N@@H+]1CCCC[C@H]1C(=O)NC[C@@H]([NH3+])c1ccc(C(C)C)cc1 ZINC000564941145 302175877 /nfs/dbraw/zinc/17/58/77/302175877.db2.gz ALTGAYDKZANBQW-MSOLQXFVSA-N 2 0 317.477 2.800 20 0 DFADRP [NH3+][C@@H]1CCC[C@@H]([NH2+]CCc2cc(Br)ccc2F)C1 ZINC000565491092 302227561 /nfs/dbraw/zinc/22/75/61/302227561.db2.gz NESOZIMVATVTMO-CHWSQXEVSA-N 2 0 315.230 2.990 20 0 DFADRP CC[NH+]1CCC(CNC(=O)CC[C@@H]([NH3+])CC2CCCCC2)CC1 ZINC000565595720 302232307 /nfs/dbraw/zinc/23/23/07/302232307.db2.gz HIPCOWGFZAGYLF-GOSISDBHSA-N 2 0 323.525 2.912 20 0 DFADRP C[C@H](CCc1n[nH]c2ccccc21)[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000565827699 302243847 /nfs/dbraw/zinc/24/38/47/302243847.db2.gz AXZDECRSFSKJEW-FXUDXRNXSA-N 2 0 312.461 2.862 20 0 DFADRP C[N@@H+]1CCCC[C@H]1CCC(=O)Nc1cccc2c1CC[NH2+]C2 ZINC000565949556 302250354 /nfs/dbraw/zinc/25/03/54/302250354.db2.gz ZBWJKQGKSIZONY-HNNXBMFYSA-N 2 0 301.434 2.535 20 0 DFADRP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+][C@H]1CCc2cc(N)ccc21 ZINC000566020569 302254127 /nfs/dbraw/zinc/25/41/27/302254127.db2.gz VHHQAZFJZDQPBN-IBGZPJMESA-N 2 0 319.412 2.935 20 0 DFADRP COc1cncc(/C=C\CC[NH+]2CCC(C[NH+](C)C)CC2)c1 ZINC000566168288 302265037 /nfs/dbraw/zinc/26/50/37/302265037.db2.gz YLNDPQISWSQOAO-XQRVVYSFSA-N 2 0 303.450 2.767 20 0 DFADRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H]2CCC[C@H](F)C2)[C@H](C)C1 ZINC000566220327 302268615 /nfs/dbraw/zinc/26/86/15/302268615.db2.gz JPVOBCVKJFCOME-TWMKSMIVSA-N 2 0 300.462 2.994 20 0 DFADRP C[C@@H]1C[C@@H]1c1ccc(CN[C@@H]2CCOC[C@H]2[C@H]2CCC[NH2+]2)o1 ZINC000566732217 302307963 /nfs/dbraw/zinc/30/79/63/302307963.db2.gz GKVYIOKJVHCNQL-UVLCOCDESA-N 2 0 304.434 2.650 20 0 DFADRP COCC1([NH2+][C@@H]2CC3(CC[NH+](C)CC3)Oc3ccccc32)CC1 ZINC000566773663 302310712 /nfs/dbraw/zinc/31/07/12/302310712.db2.gz SCGGYGAQOOKOSC-MRXNPFEDSA-N 2 0 316.445 2.743 20 0 DFADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+][C@@H]1[C@H]2CCO[C@@H]2C12CCCC2 ZINC000567102850 302335568 /nfs/dbraw/zinc/33/55/68/302335568.db2.gz XKNRRFWTCUNCEV-LIRZEXBASA-N 2 0 315.461 2.847 20 0 DFADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]CCn1c2ccccc2[nH]c1=O ZINC000567333283 302350350 /nfs/dbraw/zinc/35/03/50/302350350.db2.gz AYCYQQZAIHWMJO-CABCVRRESA-N 2 0 316.449 2.642 20 0 DFADRP CC[NH+](CC)[C@H](CN[C@H]1CCC[C@H]([NH3+])C1)c1cccc(OC)c1 ZINC000567406960 302356917 /nfs/dbraw/zinc/35/69/17/302356917.db2.gz XUHPFOZTIJGWQM-JENIJYKNSA-N 2 0 319.493 2.938 20 0 DFADRP CN1CC[C@@H]([NH2+]Cc2ccc3c(c2)C[NH2+]CC3)[C@H]1c1ccccc1 ZINC000567478293 302362425 /nfs/dbraw/zinc/36/24/25/302362425.db2.gz NSCXZNXNEDQTND-NHCUHLMSSA-N 2 0 321.468 2.867 20 0 DFADRP COc1cc(C[NH2+][C@H]2CC[NH2+]CC[C@@H]2C)ccc1OC(F)F ZINC000567490028 302363417 /nfs/dbraw/zinc/36/34/17/302363417.db2.gz DRKXQMBCFYMMGP-AAEUAGOBSA-N 2 0 314.376 2.774 20 0 DFADRP Cc1cnn(CC[NH2+][C@@H]2CCN(Cc3ccccc3)C3(CC3)C2)c1 ZINC000567587424 302370893 /nfs/dbraw/zinc/37/08/93/302370893.db2.gz IFDWXWQCVFXSPZ-LJQANCHMSA-N 2 0 324.472 2.978 20 0 DFADRP CCn1ccnc1[C@H]1OCC[C@@H]1[NH2+][C@@H](C)C[C@H]1CCCCC[NH2+]1 ZINC000567589597 302371106 /nfs/dbraw/zinc/37/11/06/302371106.db2.gz QBUODADBVNSPOL-YVSFHVDLSA-N 2 0 320.481 2.633 20 0 DFADRP C[C@@H](CC(=O)Nc1ccc(F)cc1)[NH2+]Cc1ccc(C[NH3+])cc1 ZINC000567613108 302373044 /nfs/dbraw/zinc/37/30/44/302373044.db2.gz NMDGXAWNLUOEPB-ZDUSSCGKSA-N 2 0 315.392 2.791 20 0 DFADRP CCc1ccc(C[N@@H+]2CCC[C@H](N3CCOCC3)CC2)cc1 ZINC000567627189 302374911 /nfs/dbraw/zinc/37/49/11/302374911.db2.gz GTQKNPRFMKJYGB-IBGZPJMESA-N 2 0 302.462 2.936 20 0 DFADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]C[C@H](c1ccc(Cl)cc1)N(C)C ZINC000567642518 302376027 /nfs/dbraw/zinc/37/60/27/302376027.db2.gz OHGBHOHOUDIXHW-KBRIMQKVSA-N 2 0 309.885 2.920 20 0 DFADRP C[NH+](C)CCc1ccc(C[NH2+]C[C@H](O)C2CCCCC2)cc1 ZINC000567700342 302381544 /nfs/dbraw/zinc/38/15/44/302381544.db2.gz JYVHPAFUXGXZLR-IBGZPJMESA-N 2 0 304.478 2.822 20 0 DFADRP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCN(Cc3ccccc3)C3(CC3)C2)CO1 ZINC000567853432 302392869 /nfs/dbraw/zinc/39/28/69/302392869.db2.gz AWJBXGMAPXCCCB-KBAYOESNSA-N 2 0 300.446 2.951 20 0 DFADRP C[C@H]([NH2+]C(C)(C)CNC(=O)C[C@@H]1CCC[NH2+]C1)c1ccccc1 ZINC000570738804 302590489 /nfs/dbraw/zinc/59/04/89/302590489.db2.gz FBVHDIXNMIVYKY-HOTGVXAUSA-N 2 0 317.477 2.622 20 0 DFADRP CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)[C@@H]1CCCCC[NH2+]1 ZINC000570928316 302598489 /nfs/dbraw/zinc/59/84/89/302598489.db2.gz CMOUCUHGBSFOOX-SFHVURJKSA-N 2 0 317.477 2.629 20 0 DFADRP C[C@H]1[NH2+]CC[C@@H]1C(=O)Nc1ccc(C[NH+]2CCC(C)CC2)cc1 ZINC000571204661 302608686 /nfs/dbraw/zinc/60/86/86/302608686.db2.gz QAUYAOCKOYDEJP-QAPCUYQASA-N 2 0 315.461 2.855 20 0 DFADRP Cc1c(Cl)cccc1NC(=O)CC[NH2+][C@H](C)[C@H]1CCC[NH2+]C1 ZINC000571669462 302627645 /nfs/dbraw/zinc/62/76/45/302627645.db2.gz NJTALCOGAWJGAD-KGLIPLIRSA-N 2 0 323.868 2.955 20 0 DFADRP Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)[NH2+][C@H]1CCC[C@H]([NH3+])C1 ZINC000571700860 302629218 /nfs/dbraw/zinc/62/92/18/302629218.db2.gz AQAINRFRPMIKGG-XDTLVQLUSA-N 2 0 318.387 2.983 20 0 DFADRP CC[C@@H]([NH2+]C1CCC(c2nc(C)no2)CC1)[C@H]1CCCC[NH2+]1 ZINC000572026878 302640530 /nfs/dbraw/zinc/64/05/30/302640530.db2.gz IHSLEBMGWKKOHG-QDIHITRGSA-N 2 0 306.454 2.915 20 0 DFADRP C[C@H]([NH2+]Cc1ccc(OCC(F)(F)F)nc1)[C@@H]1CCC[NH2+]C1 ZINC000572970070 302686875 /nfs/dbraw/zinc/68/68/75/302686875.db2.gz IFXQKCMMUNIOOH-WCQYABFASA-N 2 0 317.355 2.500 20 0 DFADRP [NH3+]CCC1CC[NH+](Cc2ccc(OC[C@@H]3CCCO3)cc2)CC1 ZINC000574403698 302757306 /nfs/dbraw/zinc/75/73/06/302757306.db2.gz GPQWXBLZIPRTDR-IBGZPJMESA-N 2 0 318.461 2.805 20 0 DFADRP CC[C@H]1CCC[C@@H](C[NH+]2CCN(CC[NH+]3CCCC3)CC2)C1 ZINC000182958165 316124117 /nfs/dbraw/zinc/12/41/17/316124117.db2.gz KGNVAFMDKOCPLG-RBUKOAKNSA-N 2 0 307.526 2.916 20 0 DFADRP CCC[C@@H]([NH2+]C[C@H](C)N1CC[NH+](CC)CC1)c1cccnc1 ZINC000185021613 316177811 /nfs/dbraw/zinc/17/78/11/316177811.db2.gz DQVDFLHABIABEK-FUHWJXTLSA-N 2 0 304.482 2.538 20 0 DFADRP COC[C@H](C)C[NH2+]Cc1ccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000187644734 316212940 /nfs/dbraw/zinc/21/29/40/316212940.db2.gz OKMJRCOERNSHIJ-ZACQAIPSSA-N 2 0 320.477 2.668 20 0 DFADRP CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]([NH2+][C@H]2CCN(C3CC3)C2)C1 ZINC000299983775 316236011 /nfs/dbraw/zinc/23/60/11/316236011.db2.gz FSIQDTISHMIVSJ-KFWWJZLASA-N 2 0 323.481 2.649 20 0 DFADRP COc1cc2c(cc1C[NH+]1CCC([C@@H](C)[NH3+])CC1)O[C@@H](C)C2 ZINC000317053807 316247175 /nfs/dbraw/zinc/24/71/75/316247175.db2.gz XGHOBTRNSCQBHB-QWHCGFSZSA-N 2 0 304.434 2.578 20 0 DFADRP Cc1ccc(-c2noc(CN(C)[C@H]3CCC[NH2+]CC3)n2)cc1 ZINC000318522864 316248940 /nfs/dbraw/zinc/24/89/40/316248940.db2.gz RPGBJUUFCQYDID-HNNXBMFYSA-N 2 0 300.406 2.619 20 0 DFADRP CC(C)[N@H+](C)CC1CCN(C(=O)C[C@@H](C)[C@@H]2CCC[NH2+]C2)CC1 ZINC000321410374 316256800 /nfs/dbraw/zinc/25/68/00/316256800.db2.gz UDPOUMQYBAWEAW-SJLPKXTDSA-N 2 0 323.525 2.591 20 0 DFADRP Cc1csc(NC2CC[NH+](C[C@@H]3CC[NH2+][C@H](C)C3)CC2)n1 ZINC000414740530 316645094 /nfs/dbraw/zinc/64/50/94/316645094.db2.gz GPWCTWAIZWOYFC-TZMCWYRMSA-N 2 0 308.495 2.716 20 0 DFADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]Cc1cnn(-c2ccc(F)cc2)c1 ZINC000414793454 316659720 /nfs/dbraw/zinc/65/97/20/316659720.db2.gz DLYVLOYCUCAZOC-YOEHRIQHSA-N 2 0 302.397 2.619 20 0 DFADRP COC1(C[C@H](C)[NH2+]C2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)CCC1 ZINC000429419388 316850834 /nfs/dbraw/zinc/85/08/34/316850834.db2.gz QTPDJSKLVBVWEP-JQHSSLGASA-N 2 0 324.509 2.692 20 0 DFADRP CC[C@@H](C)[C@@H](C)N(C(=O)CCC[NH+]1CCC([NH3+])CC1)C1CC1 ZINC000433136937 316880163 /nfs/dbraw/zinc/88/01/63/316880163.db2.gz RIDVTBYUCXOFSI-HUUCEWRRSA-N 2 0 309.498 2.615 20 0 DFADRP CCN(C(=O)CCC[NH+]1CCC([NH3+])CC1)c1cccc(Cl)c1 ZINC000433142581 316880533 /nfs/dbraw/zinc/88/05/33/316880533.db2.gz UVSCULYMBYBXKO-UHFFFAOYSA-N 2 0 323.868 2.896 20 0 DFADRP CC1CCC(N(C(=O)CCC[NH+]2CCC([NH3+])CC2)C2CC2)CC1 ZINC000433152789 316882113 /nfs/dbraw/zinc/88/21/13/316882113.db2.gz SVSYSXWEDSAYBF-UHFFFAOYSA-N 2 0 321.509 2.759 20 0 DFADRP CC[C@H]([NH2+]C1CC[NH+]([C@H](C)Cc2ccccc2)CC1)[C@H](C)O ZINC000449541685 317039641 /nfs/dbraw/zinc/03/96/41/317039641.db2.gz KSYVWGQPZDLEBA-GJYPPUQNSA-N 2 0 304.478 2.831 20 0 DFADRP CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)[C@H]2CCCC[NH+]2C2CCCC2)C1 ZINC000450097936 317059439 /nfs/dbraw/zinc/05/94/39/317059439.db2.gz RQZDFGOLPGDWOI-BPQIPLTHSA-N 2 0 321.509 2.628 20 0 DFADRP Cn1ccnc1CN1CC[NH+](CC/C=C/c2ccccc2)CC1 ZINC000450375471 317086735 /nfs/dbraw/zinc/08/67/35/317086735.db2.gz DRRYWPWXRWWSOD-WEVVVXLNSA-N 2 0 310.445 2.641 20 0 DFADRP C[C@H](c1ccccc1)[C@H](O)C[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000450432378 317092543 /nfs/dbraw/zinc/09/25/43/317092543.db2.gz ABXLSCUWAZCRCW-QWFCFKBJSA-N 2 0 316.489 2.959 20 0 DFADRP C[NH+](C)CCC[NH2+][C@H](Cc1ccccc1Cl)[C@H]1CCCO1 ZINC000453067340 317158913 /nfs/dbraw/zinc/15/89/13/317158913.db2.gz ZEQWEHJZJDGMDF-IAGOWNOFSA-N 2 0 310.869 2.971 20 0 DFADRP CC[C@@H]([NH2+]C1CC[NH+](C[C@H]2CCOC2)CC1)c1ccncc1 ZINC000453106438 317163274 /nfs/dbraw/zinc/16/32/74/317163274.db2.gz DKMPIQNVPFEWIV-CRAIPNDOSA-N 2 0 303.450 2.623 20 0 DFADRP O[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+][C@H](C2CC2)C2CCC2)CC1 ZINC000453161524 317167336 /nfs/dbraw/zinc/16/73/36/317167336.db2.gz ONPKNLRDMDADNI-OTWHNJEPSA-N 2 0 306.494 2.923 20 0 DFADRP C[C@@H]([NH2+]CCCC[N@H+](C)C1CC1)c1ccc(S(C)(=O)=O)cc1 ZINC000453387198 317182140 /nfs/dbraw/zinc/18/21/40/317182140.db2.gz AZEHUKUUCLDXCU-CQSZACIVSA-N 2 0 324.490 2.615 20 0 DFADRP C[C@H](CC(=O)Nc1ccccc1)[NH2+]CCCC[N@H+](C)C1CC1 ZINC000453404448 317183943 /nfs/dbraw/zinc/18/39/43/317183943.db2.gz BGQBXAIZVVDCTG-OAHLLOKOSA-N 2 0 303.450 2.868 20 0 DFADRP C[N@H+](CCCC[NH2+]Cc1cnc([C@H]2CCCO2)s1)C1CC1 ZINC000453596409 317192958 /nfs/dbraw/zinc/19/29/58/317192958.db2.gz LBWFJJIYKXHISF-OAHLLOKOSA-N 2 0 309.479 2.959 20 0 DFADRP CC(C)OC1CC([NH+]2CCC(C[NH+]3C[C@H](C)O[C@@H](C)C3)CC2)C1 ZINC000459331135 317318550 /nfs/dbraw/zinc/31/85/50/317318550.db2.gz URXYQSCUGRDUGB-XYCLOBBJSA-N 2 0 324.509 2.764 20 0 DFADRP c1cn(Cc2ccccc2)c(CC[NH2+]C2CCN(C3CC3)CC2)n1 ZINC000459367212 317322835 /nfs/dbraw/zinc/32/28/35/317322835.db2.gz OBXMSKOKSGCEFG-UHFFFAOYSA-N 2 0 324.472 2.690 20 0 DFADRP CC(C)[C@H]1CN(CC[N@H+](C)Cc2ccc(F)cc2)CC[NH+]1C ZINC000488038834 317362223 /nfs/dbraw/zinc/36/22/23/317362223.db2.gz BEASAGWALMTWEO-GOSISDBHSA-N 2 0 307.457 2.530 20 0 DFADRP C[C@H]1CSCC[N@H+](C/C=C\C[NH+]2CCSC[C@@H](C)C2)C1 ZINC000488183686 317373325 /nfs/dbraw/zinc/37/33/25/317373325.db2.gz YFNVXGVTBIKNBF-SSGMOAHOSA-N 2 0 314.564 2.912 20 0 DFADRP CC(C)C1CC([NH2+]CC2CC[NH+](CC(=O)NC(C)(C)C)CC2)C1 ZINC000488413112 317390916 /nfs/dbraw/zinc/39/09/16/317390916.db2.gz MCKJGZDKSVPNJX-UHFFFAOYSA-N 2 0 323.525 2.637 20 0 DFADRP CC[NH+]1CCN(Cc2ccccc2C[NH2+]C[C@@H]2C[C@@H]2C)CC1 ZINC000488420571 317391833 /nfs/dbraw/zinc/39/18/33/317391833.db2.gz WQMITKBMFNWGPN-LPHOPBHVSA-N 2 0 301.478 2.570 20 0 DFADRP C([NH2+][C@@H]1CCOC[C@@H]1[C@H]1CCC[NH2+]1)C(C1CCC1)C1CCC1 ZINC000530211004 317776174 /nfs/dbraw/zinc/77/61/74/317776174.db2.gz KXEWTVXJDMXKPX-GUDVDZBRSA-N 2 0 306.494 2.950 20 0 DFADRP Fc1ccc2c(c1)[C@@H]([NH+]1CCC(CO[C@@H]3CC[NH2+]C3)CC1)CC2 ZINC000530239144 317778045 /nfs/dbraw/zinc/77/80/45/317778045.db2.gz DKRVPEDKQWDQTN-MJGOQNOKSA-N 2 0 318.436 2.904 20 0 DFADRP CC1(C)CC([NH2+]CCC(=O)Nc2ccccc2)CC(C)(C)[NH2+]1 ZINC000558652535 317885428 /nfs/dbraw/zinc/88/54/28/317885428.db2.gz YNEJJSQPJRFVJK-UHFFFAOYSA-N 2 0 303.450 2.914 20 0 DFADRP c1ccc(C[N@H+]2CCC[C@]3(CCN(Cc4cnccn4)C3)C2)cc1 ZINC000572097853 318000905 /nfs/dbraw/zinc/00/09/05/318000905.db2.gz NWXHPLLHFRZIMI-FQEVSTJZSA-N 2 0 322.456 2.965 20 0 DFADRP Brc1ccc2c(c1)CC[C@H]([NH2+]CC1CC[NH2+]CC1)C2 ZINC000574510715 318022443 /nfs/dbraw/zinc/02/24/43/318022443.db2.gz XZYCJAULUGHFMN-INIZCTEOSA-N 2 0 323.278 2.896 20 0 DFADRP CC[NH+](CC)CCOc1ccc(C[NH2+][C@@H]2CCC[C@H]([NH3+])C2)cc1 ZINC000574530686 318022960 /nfs/dbraw/zinc/02/29/60/318022960.db2.gz DCXYLOYDDSHBOS-ZWKOTPCHSA-N 3 0 319.493 2.767 20 0 DFADRP CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)CC[C@@H]([NH3+])c1ccccc1 ZINC000574630791 318029125 /nfs/dbraw/zinc/02/91/25/318029125.db2.gz WXTPNFRQUBLXMN-KZNAEPCWSA-N 2 0 315.461 2.552 20 0 DFADRP O=C(CC[N@@H+]1CC[C@]2(C1)CCC[NH2+]C2)Nc1ccc(Cl)cc1 ZINC000574637892 318029743 /nfs/dbraw/zinc/02/97/43/318029743.db2.gz KNTBYANYWGSBOT-QGZVFWFLSA-N 2 0 321.852 2.744 20 0 DFADRP C[C@H]([NH2+]CC1CC[NH2+]CC1)c1nc2ccc(Cl)cc2n1C ZINC000575242599 318072128 /nfs/dbraw/zinc/07/21/28/318072128.db2.gz YVPOISPOTUZVFL-NSHDSACASA-N 2 0 306.841 2.877 20 0 DFADRP COc1cncc(/C=C/CC[N@@H+]2CC[C@]3(CC[NH+](C)C3)C2)c1 ZINC000575744559 318080325 /nfs/dbraw/zinc/08/03/25/318080325.db2.gz CPEFKQWFXREJOG-YZTRRJNXSA-N 2 0 301.434 2.521 20 0 DFADRP COc1cncc(/C=C/CC[N@@H+]2CC[C@@]3(CC[NH+](C)C3)C2)c1 ZINC000575744558 318080364 /nfs/dbraw/zinc/08/03/64/318080364.db2.gz CPEFKQWFXREJOG-YWPBOTNQSA-N 2 0 301.434 2.521 20 0 DFADRP CC(C)[N@@H+]1CC[C@H](CNC(=O)C(C)(C)[C@H]([NH3+])c2ccccc2)C1 ZINC000575984659 318096146 /nfs/dbraw/zinc/09/61/46/318096146.db2.gz BRLASLJXOJMYOF-NVXWUHKLSA-N 2 0 317.477 2.559 20 0 DFADRP Cc1ccc(NC(=O)C[C@H](C)[NH2+]CC2CC[NH2+]CC2)c(Cl)c1 ZINC000576338055 318119231 /nfs/dbraw/zinc/11/92/31/318119231.db2.gz HKQKPIYLMSGAKQ-ZDUSSCGKSA-N 2 0 323.868 2.955 20 0 DFADRP C[C@H]([NH3+])CCC(=O)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000576460903 318127997 /nfs/dbraw/zinc/12/79/97/318127997.db2.gz IAOQJRZVDSMIGC-BBRMVZONSA-N 2 0 323.868 2.721 20 0 DFADRP C[C@H]1[NH2+]CC[C@H]1C(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC000576634335 318139277 /nfs/dbraw/zinc/13/92/77/318139277.db2.gz FVWUTRUJBWCXHS-CRAIPNDOSA-N 2 0 315.461 2.652 20 0 DFADRP C[NH+](C)CCN(CC[NH+](C)C)Cc1ccc(C(F)(F)F)cc1 ZINC000576671152 318141823 /nfs/dbraw/zinc/14/18/23/318141823.db2.gz DBIIEEVNRVQHKC-UHFFFAOYSA-N 2 0 317.399 2.631 20 0 DFADRP Cc1ccc(CNC[C@H](O)C[N@@H+](C)C2CC2)c(OC(C)(C)C)c1 ZINC000576936793 318160333 /nfs/dbraw/zinc/16/03/33/318160333.db2.gz SCRYZMBHAQTDFI-KRWDZBQOSA-N 2 0 320.477 2.717 20 0 DFADRP CC(C)[N@H+](C)C[C@H](O)CN1CC2(CCC2)[C@H]1c1ccccc1 ZINC000577232152 318179965 /nfs/dbraw/zinc/17/99/65/318179965.db2.gz XGWHVDKFJYOYIU-ZWKOTPCHSA-N 2 0 302.462 2.915 20 0 DFADRP Cc1cc(NC(=O)NC[C@H]2[NH2+]CCCC2(C)C)cn2ccnc12 ZINC000577590696 318203233 /nfs/dbraw/zinc/20/32/33/318203233.db2.gz VDHLPSBPXQOINS-CQSZACIVSA-N 2 0 315.421 2.542 20 0 DFADRP c1ccc(CCOCCC[N@@H+]2CC[C@@]3(C2)CCC[NH2+]C3)cc1 ZINC000578237529 318247661 /nfs/dbraw/zinc/24/76/61/318247661.db2.gz QLOSAGFTQCIPBC-IBGZPJMESA-N 2 0 302.462 2.711 20 0 DFADRP O=C(Nc1cccc(C[NH2+][C@@H]2CCC[NH2+]CC2)c1)c1ccccn1 ZINC000578637803 318274631 /nfs/dbraw/zinc/27/46/31/318274631.db2.gz JWJMSWTUXPWYRH-MRXNPFEDSA-N 2 0 324.428 2.566 20 0 DFADRP FC(F)(F)COCCC[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1 ZINC000578637776 318274692 /nfs/dbraw/zinc/27/46/92/318274692.db2.gz FUFSPNLRHCXKSJ-HZSPNIEDSA-N 2 0 308.388 2.856 20 0 DFADRP CC[NH+]1CCC(C[NH2+]Cc2cc(OC)c(OC)cc2F)CC1 ZINC000578777400 318285340 /nfs/dbraw/zinc/28/53/40/318285340.db2.gz IHRINZPPDDRXCT-UHFFFAOYSA-N 2 0 310.413 2.664 20 0 DFADRP COC(=O)c1sc2ccccc2c1CN1CC[C@@H]([NH3+])C[C@H]1C ZINC000578879174 318292232 /nfs/dbraw/zinc/29/22/32/318292232.db2.gz OLVUAMZSNABWKF-VXGBXAGGSA-N 2 0 318.442 3.000 20 0 DFADRP Cc1ncncc1[C@@H](C)[NH2+]CC1CCN(c2cc[nH+]cc2)CC1 ZINC000579025031 318302921 /nfs/dbraw/zinc/30/29/21/318302921.db2.gz WEDWJTFUONNYAP-CQSZACIVSA-N 2 0 311.433 2.747 20 0 DFADRP CC(C)c1[nH+]c(CN(C)CC[N@H+](C)C2CC2)c2ccccn21 ZINC000579131929 318310078 /nfs/dbraw/zinc/31/00/78/318310078.db2.gz HOMYYYDMYHDCEO-UHFFFAOYSA-N 2 0 300.450 2.984 20 0 DFADRP Cc1nn(-c2ccccc2)c(C)c1C[NH2+][C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000579225090 318315378 /nfs/dbraw/zinc/31/53/78/318315378.db2.gz BIBJMIJRIMSJOR-YOEHRIQHSA-N 2 0 312.461 2.967 20 0 DFADRP C[C@@H]([NH2+]CC1(c2ccccc2)CCOCC1)[C@@H]1CCC[NH2+]C1 ZINC000579341986 318323417 /nfs/dbraw/zinc/32/34/17/318323417.db2.gz IKMRMUKRLQQZCG-IAGOWNOFSA-N 2 0 302.462 2.713 20 0 DFADRP [NH3+]C[C@H]1CCC[C@H]1[NH2+]Cc1cccc(NC(=O)C2CCC2)c1 ZINC000579580774 318340146 /nfs/dbraw/zinc/34/01/46/318340146.db2.gz HUYXQHKKEBCZCO-NVXWUHKLSA-N 2 0 301.434 2.642 20 0 DFADRP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]Cc1cccc(NC(=O)C2CCC2)c1 ZINC000579580775 318340210 /nfs/dbraw/zinc/34/02/10/318340210.db2.gz HUYXQHKKEBCZCO-RDJZCZTQSA-N 2 0 301.434 2.642 20 0 DFADRP C[C@H](NC[C@@H]1CC[N@H+](CCc2ccccc2)C1)[C@@H]1CCC[NH2+]C1 ZINC000579822502 318356301 /nfs/dbraw/zinc/35/63/01/318356301.db2.gz WOHPTWIYGBCDEL-YSIASYRMSA-N 2 0 315.505 2.529 20 0 DFADRP C[C@@H]1C[C@H](C)[N@H+](Cc2cnc(-c3ccccc3)nc2)C[C@H]1C[NH3+] ZINC000579944623 318364757 /nfs/dbraw/zinc/36/47/57/318364757.db2.gz IBDQJGWVWDZGMS-RVKKMQEKSA-N 2 0 310.445 2.949 20 0 DFADRP COC(=O)[C@@H](C)C[N@H+](CCCn1ccnc1)Cc1ccccc1 ZINC000183171131 323217378 /nfs/dbraw/zinc/21/73/78/323217378.db2.gz ZQJZSZCZRGAFFJ-INIZCTEOSA-N 2 0 315.417 2.585 20 0 DFADRP C[C@@H]1C[C@H](N[C@@H]2CCC[C@@H]2C[NH3+])CC[N@@H+]1Cc1ccccc1 ZINC000379630139 323289823 /nfs/dbraw/zinc/28/98/23/323289823.db2.gz KUIMBJKFCQDXDD-NXWXRZEISA-N 2 0 301.478 2.757 20 0 DFADRP C[C@@H]1C[C@H](NC[C@@H]2CCC[NH+](C)C2)CC[N@@H+]1Cc1ccccc1 ZINC000379631640 323289866 /nfs/dbraw/zinc/28/98/66/323289866.db2.gz RQDASHMIJYBOOV-YZGWKJHDSA-N 2 0 315.505 2.971 20 0 DFADRP C[C@@H]1C[NH2+]CC[C@@H]1N[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000379645724 323290811 /nfs/dbraw/zinc/29/08/11/323290811.db2.gz DMEIMIRLNQZELW-FPAYPSAMSA-N 2 0 301.478 2.627 20 0 DFADRP C[C@@H]1C[C@H]([NH2+]CC2CC[NH2+]CC2)CCN1Cc1ccccc1 ZINC000379637925 323291129 /nfs/dbraw/zinc/29/11/29/323291129.db2.gz TUDAUJFPICWEHO-VQIMIIECSA-N 2 0 301.478 2.629 20 0 DFADRP C[C@@H]1C[C@@H](NCCC[NH2+]C2CC2)CC[N@@H+]1Cc1ccccc1 ZINC000382548078 323300206 /nfs/dbraw/zinc/30/02/06/323300206.db2.gz QMYRYCAJSFLADX-APWZRJJASA-N 2 0 301.478 2.771 20 0 DFADRP C[C@@H]1CC[N@H+](CC[C@@H]2CCC[NH2+]C2)CCN1Cc1ccccc1 ZINC000382709410 323301585 /nfs/dbraw/zinc/30/15/85/323301585.db2.gz SMGPKNBUMHIMIJ-MOPGFXCFSA-N 2 0 315.505 2.973 20 0 DFADRP c1ccc(C[N@H+]2C[C@@H]3CC[C@H](NCCC[NH2+]C4CC4)[C@@H]3C2)cc1 ZINC000382579258 323301854 /nfs/dbraw/zinc/30/18/54/323301854.db2.gz DVJJLQKJZVIVCP-SXLOBPIMSA-N 2 0 313.489 2.629 20 0 DFADRP COCC[N@H+](Cc1ccccc1)Cc1ccc2c(c1)C[NH2+]CC2 ZINC000384354053 323306401 /nfs/dbraw/zinc/30/64/01/323306401.db2.gz DMPIUBMULHJREH-UHFFFAOYSA-N 2 0 310.441 2.981 20 0 DFADRP CC[NH+](CC)Cc1ccc(CNC(=O)[C@H]2CCC[NH2+][C@@H]2C)cc1 ZINC000384261278 323306469 /nfs/dbraw/zinc/30/64/69/323306469.db2.gz OMCUXBYGXOYRCK-QAPCUYQASA-N 2 0 317.477 2.533 20 0 DFADRP C[NH2+][C@H](CC(C)(C)C)C(=O)Nc1ccc(OCC[NH+](C)C)cc1 ZINC000387502374 323325380 /nfs/dbraw/zinc/32/53/80/323325380.db2.gz CTYMPVIZMCONTE-MRXNPFEDSA-N 2 0 321.465 2.590 20 0 DFADRP C[N@H+](CC[C@H]1CCC[NH2+]C1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000388742199 323332238 /nfs/dbraw/zinc/33/22/38/323332238.db2.gz CKIFIDSUGZSTKR-UYAOXDASSA-N 2 0 315.505 2.973 20 0 DFADRP CCOc1cc(C[NH2+][C@H]2CCN(CC)C2)ccc1OC(F)F ZINC000389189695 323334316 /nfs/dbraw/zinc/33/43/16/323334316.db2.gz UNIJPJLRHYNSOF-ZDUSSCGKSA-N 2 0 314.376 2.871 20 0 DFADRP C[C@@H](Cc1ccsc1)[NH+]1CCC(C[NH+]2CCN(C)CC2)CC1 ZINC000580498785 323392341 /nfs/dbraw/zinc/39/23/41/323392341.db2.gz ASJRIKJNNBSAAE-INIZCTEOSA-N 2 0 321.534 2.639 20 0 DFADRP Cc1ccc(C[NH2+][C@H](C)CCN2CC[NH+](C)CC2)c(Cl)c1 ZINC000580719011 323425230 /nfs/dbraw/zinc/42/52/30/323425230.db2.gz LEPDCXROLRKTQX-OAHLLOKOSA-N 2 0 309.885 2.764 20 0 DFADRP Cc1ccc(F)cc1NC(=O)[C@@H](C)[NH+]1CCC(CC[NH3+])CC1 ZINC000581076639 323472144 /nfs/dbraw/zinc/47/21/44/323472144.db2.gz FJYVIIAJSNVXMM-CYBMUJFWSA-N 2 0 307.413 2.522 20 0 DFADRP CCCC(=O)Nc1ccc(C[NH2+][C@@H](C)[C@H]2CCC[NH2+]C2)cc1 ZINC000582600361 323700947 /nfs/dbraw/zinc/70/09/47/323700947.db2.gz XAEDVHSRWNINHY-HOCLYGCPSA-N 2 0 303.450 2.903 20 0 DFADRP COc1cc2c(cc1C[NH2+]Cc1ccc3c[nH+]cn3c1)O[C@H](C)C2 ZINC000583367289 323842315 /nfs/dbraw/zinc/84/23/15/323842315.db2.gz HHQFVOJEDWURDR-CYBMUJFWSA-N 2 0 323.396 2.956 20 0 DFADRP Cc1nn(-c2ccc(F)cc2F)c(C)c1C[NH2+][C@@H](C)C[C@H](C)[NH3+] ZINC000583381182 323845287 /nfs/dbraw/zinc/84/52/87/323845287.db2.gz ANKPLLZKARFJAK-QWRGUYRKSA-N 2 0 322.403 2.983 20 0 DFADRP C[NH+](C)CCc1ccc(NC(=O)[C@H]2C[NH2+]Cc3ccccc32)cc1 ZINC000583561931 323878452 /nfs/dbraw/zinc/87/84/52/323878452.db2.gz UHRAHNBIYMLBEJ-IBGZPJMESA-N 2 0 323.440 2.616 20 0 DFADRP C[C@@H]1C[C@@H](CN(Cc2ccccc2)[C@H]2CCC[NH2+]C2)CC[NH2+]1 ZINC000583630693 323889566 /nfs/dbraw/zinc/88/95/66/323889566.db2.gz OYLMZVBHISYSKK-NEWSRXKRSA-N 2 0 301.478 2.629 20 0 DFADRP CC[NH+](CC)CCCC1CCN(C(=O)[C@@H](C)[NH+]2CC(C)C2)CC1 ZINC000583702306 323901335 /nfs/dbraw/zinc/90/13/35/323901335.db2.gz PIVGHDPZKJRPBC-QGZVFWFLSA-N 2 0 323.525 2.687 20 0 DFADRP Cc1cccc(C(C)C)c1NC(=O)CN1CC[C@H]([NH3+])C[C@@H]1C ZINC000584358664 337102387 /nfs/dbraw/zinc/10/23/87/337102387.db2.gz DOJHRSFTJDYLRF-GJZGRUSLSA-N 2 0 303.450 2.869 20 0 DFADRP COc1ccc(C[C@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc1OC ZINC000294978331 533793102 /nfs/dbraw/zinc/79/31/02/533793102.db2.gz JOYWPIDUMMSUBF-LNRIEFBSSA-N 2 0 318.461 2.850 20 0 DFADRP C[C@@H]1C[C@H](NC[C@@]2(C)CC[NH+](Cc3ccccc3)C2)CC[N@@H+]1C ZINC000309746989 533951137 /nfs/dbraw/zinc/95/11/37/533951137.db2.gz UTIRFYZKEUABCP-MISYRCLQSA-N 2 0 315.505 2.971 20 0 DFADRP C(CO[C@H]1CCCCO1)C[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000364114855 518393332 /nfs/dbraw/zinc/39/33/32/518393332.db2.gz BGORNOXNRJRAQX-SFHVURJKSA-N 2 0 310.482 2.728 20 0 DFADRP C(CO[C@@H]1CCCCO1)C[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000364114854 518394534 /nfs/dbraw/zinc/39/45/34/518394534.db2.gz BGORNOXNRJRAQX-GOSISDBHSA-N 2 0 310.482 2.728 20 0 DFADRP CC(C)c1ccc([C@H]([NH3+])CNC(=O)CCC2CC[NH2+]CC2)cc1 ZINC000154523107 519840086 /nfs/dbraw/zinc/84/00/86/519840086.db2.gz ZEYMDFMXJHYWEJ-GOSISDBHSA-N 2 0 317.477 2.706 20 0 DFADRP CC(C)n1ncc2c1C[C@@H]([NH2+]C1CC[NH+](C(C)C)CC1)CC2 ZINC000364374095 520071561 /nfs/dbraw/zinc/07/15/61/520071561.db2.gz LIWIAALTDWLSJR-KRWDZBQOSA-N 2 0 304.482 2.784 20 0 DFADRP CCO[C@@H](CC[NH+](C)C)C[NH2+][C@H](C)c1ccc(OC)cc1F ZINC000165941269 520292019 /nfs/dbraw/zinc/29/20/19/520292019.db2.gz QWXZGJSOBNCKMJ-HIFRSBDPSA-N 2 0 312.429 2.842 20 0 DFADRP C[N@H+](CC1CCN(c2cc[nH+]cc2)CC1)[C@@H]1CCCC[C@@H]1O ZINC000364986969 522661150 /nfs/dbraw/zinc/66/11/50/522661150.db2.gz LLQYXADKPPCFLL-MSOLQXFVSA-N 2 0 303.450 2.533 20 0 DFADRP C[N@H+](C[C@@H]1CCCCO1)[C@@H]1CCC[NH+](C[C@@H]2CCCCO2)CC1 ZINC000156957533 523035362 /nfs/dbraw/zinc/03/53/62/523035362.db2.gz CPBRGMWGXPEWID-QYZOEREBSA-N 2 0 324.509 2.911 20 0 DFADRP [NH3+]Cc1ccc(NC(=O)N2CC[NH+](C3CCCCC3)CC2)cc1 ZINC000332566233 534693954 /nfs/dbraw/zinc/69/39/54/534693954.db2.gz XELXYWCLPAGWRS-UHFFFAOYSA-N 2 0 316.449 2.628 20 0 DFADRP COc1ccc(CC[NH2+][C@@H]2CC[N@H+](C)[C@H]3CCC[C@H]32)cc1F ZINC000367602237 523977432 /nfs/dbraw/zinc/97/74/32/523977432.db2.gz SABDORVLASNCEE-UAGQMJEPSA-N 2 0 306.425 2.839 20 0 DFADRP C[NH+](C)CCCN[C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000183125302 524057404 /nfs/dbraw/zinc/05/74/04/524057404.db2.gz QHIWHKFTZVHMAI-SLFFLAALSA-N 2 0 315.505 2.828 20 0 DFADRP Cc1nccn1CC[N@@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000310320785 534774532 /nfs/dbraw/zinc/77/45/32/534774532.db2.gz YPIAYMWLCUCSPL-VQTJNVASSA-N 2 0 324.472 2.645 20 0 DFADRP C[C@H]([NH3+])CCC(=O)NCc1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000248871854 524830236 /nfs/dbraw/zinc/83/02/36/524830236.db2.gz OWICAWGOLMGCQE-HOTGVXAUSA-N 2 0 317.477 2.662 20 0 DFADRP C[C@H]1Cc2ccccc2[C@H]1[NH2+]CCCN1CCC[N@H+](C)CC1 ZINC000128344324 524998260 /nfs/dbraw/zinc/99/82/60/524998260.db2.gz ZADWXJSPWVYYHW-LPHOPBHVSA-N 2 0 301.478 2.537 20 0 DFADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC1(CO)CCC1 ZINC000363821961 525007589 /nfs/dbraw/zinc/00/75/89/525007589.db2.gz MMMHNEVPRCPDSI-SJLPKXTDSA-N 2 0 302.462 2.649 20 0 DFADRP C[C@@H]([NH2+]CC1CC[NH+](CCc2ccccc2)CC1)[C@@H]1CCOC1 ZINC000366238273 525426451 /nfs/dbraw/zinc/42/64/51/525426451.db2.gz OCLNFRCDTVCODC-YLJYHZDGSA-N 2 0 316.489 2.956 20 0 DFADRP FC(F)(F)Cn1cc(C[NH2+]CCCCC[NH+]2CCCC2)cn1 ZINC000339496455 527673714 /nfs/dbraw/zinc/67/37/14/527673714.db2.gz BLURMBOZHXMENL-UHFFFAOYSA-N 2 0 318.387 2.801 20 0 DFADRP CC[N@@H+]1CC[C@H]([NH+](C)C[C@@H](Cc2ccccc2)OC)[C@@H](C)C1 ZINC000294841140 527831630 /nfs/dbraw/zinc/83/16/30/527831630.db2.gz BDQZWWKPNUEVSB-UHOSZYNNSA-N 2 0 304.478 2.906 20 0 DFADRP CC[N@@H+]1CC[C@H](N[C@@H]2CC[C@@H]3C[NH+](Cc4ccccc4)C[C@H]23)C1 ZINC000328297749 527885773 /nfs/dbraw/zinc/88/57/73/527885773.db2.gz WQVCEHPNWLUWGJ-FUMNGEBKSA-N 2 0 313.489 2.581 20 0 DFADRP CC1=CC[C@H]([NH2+]Cc2cccc(C(=O)NCC[NH+](C)C)c2)CC1 ZINC000294445936 528123279 /nfs/dbraw/zinc/12/32/79/528123279.db2.gz YASBMFIODDIHFX-SFHVURJKSA-N 2 0 315.461 2.566 20 0 DFADRP CC[NH+](CC)[C@H](C(=O)NCCC[C@@H]1CCC[NH2+]1)c1ccccc1 ZINC000294841407 528261287 /nfs/dbraw/zinc/26/12/87/528261287.db2.gz MRECBJDOCIPTJX-ROUUACIJSA-N 2 0 317.477 2.718 20 0 DFADRP CC[NH+](CC)[C@H](CNC(=O)[C@]1(CC)CC[NH2+]C1)c1ccccc1 ZINC000320491460 528277458 /nfs/dbraw/zinc/27/74/58/528277458.db2.gz VUKVVFYTYXZRHJ-IEBWSBKVSA-N 2 0 317.477 2.575 20 0 DFADRP CCCC[N@H+](C)CC1CCN(C(=O)C[C@H]2CCCC[C@@H]2[NH3+])CC1 ZINC000324289397 528337039 /nfs/dbraw/zinc/33/70/39/528337039.db2.gz IWHSZQWBLGRFSU-MSOLQXFVSA-N 2 0 323.525 2.865 20 0 DFADRP CCC[NH2+][C@@H](C)C(=O)NC[C@@H](c1ccccc1)[NH+](CC)CC ZINC000294903912 528539657 /nfs/dbraw/zinc/53/96/57/528539657.db2.gz ZMLIPWGZKFALNM-RDJZCZTQSA-N 2 0 305.466 2.574 20 0 DFADRP CCOCCC[N@H+]1C[C@@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1 ZINC000309976974 528670530 /nfs/dbraw/zinc/67/05/30/528670530.db2.gz RSWDUODKDQZZRE-RTBURBONSA-N 2 0 302.462 2.867 20 0 DFADRP CC(C)[C@H](C[NH3+])C(=O)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000236651884 534988346 /nfs/dbraw/zinc/98/83/46/534988346.db2.gz JGIUYIXCXRWWMO-SFHVURJKSA-N 2 0 317.477 2.520 20 0 DFADRP CC(C)[NH+](CCCNC(=O)N[C@H](C)C[N@@H+](C)C(C)C)C(C)C ZINC000357881778 535012619 /nfs/dbraw/zinc/01/26/19/535012619.db2.gz LRIMYZZPHYWNJX-MRXNPFEDSA-N 2 0 314.518 2.523 20 0 DFADRP CCCC[C@H]([NH3+])C(=O)NC[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000236813628 535044739 /nfs/dbraw/zinc/04/47/39/535044739.db2.gz IENWXJDYZRSTPP-MSOLQXFVSA-N 2 0 317.477 2.675 20 0 DFADRP CC[C@@H](C(=O)N(CC(C)C)C1CC[NH+](C)CC1)[NH+](CC)CC ZINC000359796231 535399431 /nfs/dbraw/zinc/39/94/31/535399431.db2.gz NFFPBTAPBXZSEA-KRWDZBQOSA-N 2 0 311.514 2.686 20 0 DFADRP CC[NH2+]CC1CC[NH+](Cc2nn(CC)c3ccccc23)CC1 ZINC000262344729 535459711 /nfs/dbraw/zinc/45/97/11/535459711.db2.gz URSUCQJZQIXISJ-UHFFFAOYSA-N 2 0 300.450 2.878 20 0 DFADRP CC[NH+](CC)CC1CC[NH+](Cc2cn(C)nc2C(F)F)CC1 ZINC000361175408 535497461 /nfs/dbraw/zinc/49/74/61/535497461.db2.gz FDNVSXATLKFJHZ-UHFFFAOYSA-N 2 0 314.424 2.912 20 0 DFADRP CC[NH+](CC)[C@H](CNC(=O)CC1C[C@H]2CC[C@@H](C1)[NH2+]2)CC(C)C ZINC000164409779 535670265 /nfs/dbraw/zinc/67/02/65/535670265.db2.gz ASUPBGCIEJBTLU-FBVQUNGASA-N 2 0 323.525 2.780 20 0 DFADRP CC[NH+](CC)[C@H](CNC(=O)[C@H]([NH3+])c1ccc(C)cc1)CC(C)C ZINC000262667924 535675660 /nfs/dbraw/zinc/67/56/60/535675660.db2.gz QFTRAXGWOCWKBH-ZWKOTPCHSA-N 2 0 319.493 2.868 20 0 DFADRP CCC[C@H]([NH2+]C(C)C)C(=O)NCc1ccc(C[NH+](C)C)c(F)c1 ZINC000355548641 535698880 /nfs/dbraw/zinc/69/88/80/535698880.db2.gz FKELXXDCVDDCNU-KRWDZBQOSA-N 2 0 323.456 2.670 20 0 DFADRP CC[NH+]1CCN([C@@H]2CC[N@@H+]([C@@H](C)c3ccc(F)cc3)C2)CC1 ZINC000171528322 535735900 /nfs/dbraw/zinc/73/59/00/535735900.db2.gz ZBWFAKHPTVXPRM-MAUKXSAKSA-N 2 0 305.441 2.599 20 0 DFADRP CC[NH+]1CCN([C@@H]2CC[N@@H+]([C@H](C)c3cccc(F)c3)C2)CC1 ZINC000245892698 535737608 /nfs/dbraw/zinc/73/76/08/535737608.db2.gz CAZRZSJYNOVRAX-CRAIPNDOSA-N 2 0 305.441 2.599 20 0 DFADRP CC[C@@H]([NH2+]CCCC[N@@H+]1CCC[C@H]1CO)c1cccc(OC)c1 ZINC000361352569 535803446 /nfs/dbraw/zinc/80/34/46/535803446.db2.gz QQZWFTIKIUQRGK-PKOBYXMFSA-N 2 0 320.477 2.973 20 0 DFADRP CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)[C@@H]2CCC[C@H]([NH3+])C2)C1 ZINC000168640674 535819743 /nfs/dbraw/zinc/81/97/43/535819743.db2.gz DPPHCHQNGJFPQO-OAGGEKHMSA-N 2 0 309.498 2.521 20 0 DFADRP C[NH+](C)CCOC1CC[NH+](C[C@@H]2C[C@H]2c2ccccc2)CC1 ZINC000353545392 535893260 /nfs/dbraw/zinc/89/32/60/535893260.db2.gz DDQSNOUARKHTKK-HKUYNNGSSA-N 2 0 302.462 2.833 20 0 DFADRP C[N@H+](Cc1ccccc1)CC(C)(C)CN1CC[C@@]2(CC[NH2+]C2)C1 ZINC000262030985 536479889 /nfs/dbraw/zinc/47/98/89/536479889.db2.gz OCGIXLLCLKKJJJ-HXUWFJFHSA-N 2 0 315.505 2.830 20 0 DFADRP COc1ccccc1OC[C@H](C)C[NH2+][C@@H]1CC[N@H+](C)C[C@H]1C ZINC000358266837 537098281 /nfs/dbraw/zinc/09/82/81/537098281.db2.gz NADKFIYIGNFGCH-BZUAXINKSA-N 2 0 306.450 2.640 20 0 DFADRP COC[C@@H]1CCCC[N@H+](Cc2ccc(OCC[NH+](C)C)cc2)C1 ZINC000681084716 545593911 /nfs/dbraw/zinc/59/39/11/545593911.db2.gz ZYIMINQXGJOIKV-GOSISDBHSA-N 2 0 320.477 2.876 20 0 DFADRP CC[NH+](CC)CCO[C@H]1CC[N@@H+]([C@H](C)c2cnc(C)nc2C)C1 ZINC000682069848 545786931 /nfs/dbraw/zinc/78/69/31/545786931.db2.gz AHIITMYDLYJWAS-WBVHZDCISA-N 2 0 320.481 2.587 20 0 DFADRP COCCC[NH+]1CCC(Nc2cc[nH+]c3c(O)cccc23)CC1 ZINC000682240136 545823193 /nfs/dbraw/zinc/82/31/93/545823193.db2.gz ZZRYUJOUJQZYBH-UHFFFAOYSA-N 2 0 315.417 2.853 20 0 DFADRP C[C@@H](O)[C@@H]1C[C@H](C)CC[N@@H+]1Cc1ccc(OCC[NH+](C)C)cc1 ZINC000682409246 545842107 /nfs/dbraw/zinc/84/21/07/545842107.db2.gz LHLOGZZIFDUEET-MDZRGWNJSA-N 2 0 320.477 2.608 20 0 DFADRP Oc1ccc(C[NH+]2CCC(CCC[NH+]3CCOCC3)CC2)cc1 ZINC000682407764 545842469 /nfs/dbraw/zinc/84/24/69/545842469.db2.gz UNSMRIJQRFLQRB-UHFFFAOYSA-N 2 0 318.461 2.717 20 0 DFADRP CC[C@]1([NH2+]Cc2ccc(OCC[NH+]3CCCC3)cc2)CCOC1 ZINC000682952135 545948300 /nfs/dbraw/zinc/94/83/00/545948300.db2.gz QAWXJIXYKHYAIO-IBGZPJMESA-N 2 0 318.461 2.820 20 0 DFADRP CCN(CC[NH2+][C@H](C)C1CC[NH+](C)CC1)CCC(F)(F)F ZINC000683158333 545981970 /nfs/dbraw/zinc/98/19/70/545981970.db2.gz DGVKAHQOAKGFHG-CYBMUJFWSA-N 2 0 309.420 2.581 20 0 DFADRP CC1(C[NH2+]CCCC[NH+]2CCN(Cc3ccccc3)CC2)CC1 ZINC000683765803 546090834 /nfs/dbraw/zinc/09/08/34/546090834.db2.gz HPSMOZQVQVNXJT-UHFFFAOYSA-N 2 0 315.505 2.974 20 0 DFADRP C[NH+](C)CCCCC(=O)Nc1cccc2c1OCC[C@H]2[NH+](C)C ZINC000684090028 546150045 /nfs/dbraw/zinc/15/00/45/546150045.db2.gz XVXXKDGVUGSJSD-MRXNPFEDSA-N 2 0 319.449 2.742 20 0 DFADRP C[N@@H+]1CCCN(CCC[NH2+]Cc2ncc(C(C)(C)C)s2)CC1 ZINC000684111868 546153728 /nfs/dbraw/zinc/15/37/28/546153728.db2.gz SVZOWLFWZWZETP-UHFFFAOYSA-N 2 0 324.538 2.558 20 0 DFADRP C[N@H+](CCC(=O)N1CCC[C@H]1[C@@H]1CCC[NH+]1C)C1CCCCC1 ZINC000684163269 546161606 /nfs/dbraw/zinc/16/16/06/546161606.db2.gz JJSLYTQGRIZUMM-ROUUACIJSA-N 2 0 321.509 2.726 20 0 DFADRP C[C@@H]1C[NH+](CCCC[NH2+][C@@H]2CCCc3cccnc32)C[C@@H](C)O1 ZINC000684955321 546308107 /nfs/dbraw/zinc/30/81/07/546308107.db2.gz LCEOIKFROMBFFK-JFIYKMOQSA-N 2 0 317.477 2.938 20 0 DFADRP CC[NH+](CC)CCC[N@H+](CC)Cc1ccccc1-n1cncn1 ZINC000685459668 546353468 /nfs/dbraw/zinc/35/34/68/546353468.db2.gz OIAYMVQUHRRRAD-UHFFFAOYSA-N 2 0 315.465 2.821 20 0 DFADRP C[C@@H](Cc1ccsc1)[N@H+](C)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000685457668 546353701 /nfs/dbraw/zinc/35/37/01/546353701.db2.gz ITIZIPHRHDRGDR-YJBOKZPZSA-N 2 0 321.534 2.779 20 0 DFADRP Cc1cc(C[NH2+][C@@H](C)C2CC[NH+](C)CC2)cc(N2CCCC2)n1 ZINC000685661188 546383237 /nfs/dbraw/zinc/38/32/37/546383237.db2.gz CQWGYENJTAJVDV-INIZCTEOSA-N 2 0 316.493 2.810 20 0 DFADRP